smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C[C@@H](O)CCN(Cc2cc(C#N)cs2)C1 ZINC000336224805 520529055 /nfs/dbraw/zinc/52/90/55/520529055.db2.gz FDUGQAPTSBMWPY-LBPRGKRZSA-N 0 3 264.394 2.603 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@](C)(OC)C2CC2)ccc1C#N ZINC000414503300 533892090 /nfs/dbraw/zinc/89/20/90/533892090.db2.gz QMFFSKCZZYRACN-SJCJKPOMSA-N 0 3 288.391 2.860 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@@](C)(OC)C2CC2)ccc1C#N ZINC000414503303 533892328 /nfs/dbraw/zinc/89/23/28/533892328.db2.gz QMFFSKCZZYRACN-YVEFUNNKSA-N 0 3 288.391 2.860 20 30 CFEDHN Cc1cn[nH]c1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367800 533991520 /nfs/dbraw/zinc/99/15/20/533991520.db2.gz UTVUNJIBOGSXET-LBPRGKRZSA-N 0 3 254.337 2.783 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccnn2)C1 ZINC000425502875 534047630 /nfs/dbraw/zinc/04/76/30/534047630.db2.gz RAMFJUJBFYVOPH-XJKSGUPXSA-N 0 3 281.363 2.548 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nccn1CC ZINC000296331537 517317523 /nfs/dbraw/zinc/31/75/23/517317523.db2.gz GHUKQXFCVYRZIZ-MJBXVCDLSA-N 0 3 263.385 2.535 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000347037676 534281700 /nfs/dbraw/zinc/28/17/00/534281700.db2.gz NUKFEVICWYCSJH-SECBINFHSA-N 0 3 270.254 2.823 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccccc1C(F)(F)F ZINC000347070522 534282433 /nfs/dbraw/zinc/28/24/33/534282433.db2.gz OAWMTDOVQNTYQE-SECBINFHSA-N 0 3 270.254 2.524 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000352530152 534285705 /nfs/dbraw/zinc/28/57/05/534285705.db2.gz HXIYOFITZUSRQC-QKCSRTOESA-N 0 3 260.312 2.738 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2c(C)cccc2C)CC1 ZINC000068918520 518267540 /nfs/dbraw/zinc/26/75/40/518267540.db2.gz HVSTYJVHBVALFV-UHFFFAOYSA-N 0 3 270.376 2.587 20 30 CFEDHN Cc1noc(C2(C)CCN(CCC(C)(C)C#N)CC2)n1 ZINC000346973516 534383166 /nfs/dbraw/zinc/38/31/66/534383166.db2.gz UDUSUCTUSJFAEJ-UHFFFAOYSA-N 0 3 276.384 2.671 20 30 CFEDHN CCCN1CCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000353136277 519854557 /nfs/dbraw/zinc/85/45/57/519854557.db2.gz KMNSLYUOORRHSM-HNNXBMFYSA-N 0 3 275.371 2.661 20 30 CFEDHN CC(C)n1nccc1CNCCOc1ccc(C#N)cc1 ZINC000354469860 520105970 /nfs/dbraw/zinc/10/59/70/520105970.db2.gz UUPHMQPKJNTDQF-UHFFFAOYSA-N 0 3 284.363 2.504 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787194 782162446 /nfs/dbraw/zinc/16/24/46/782162446.db2.gz IPVQHEWBUJSRIB-AWEZNQCLSA-N 0 3 287.407 2.615 20 30 CFEDHN CCCCNC(=O)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000051060366 520660047 /nfs/dbraw/zinc/66/00/47/520660047.db2.gz NCUFCYLEKZPVSY-QGZVFWFLSA-N 0 3 299.418 2.687 20 30 CFEDHN CCN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO1 ZINC000191974172 521300202 /nfs/dbraw/zinc/30/02/02/521300202.db2.gz GNWVVUQAGXMLSV-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN CCCN(CCC(=O)OCC)Cc1ccc(C#N)cc1 ZINC000055058864 521630066 /nfs/dbraw/zinc/63/00/66/521630066.db2.gz MTCPZDZDKMZWDQ-UHFFFAOYSA-N 0 3 274.364 2.723 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1C[C@@H](C)C[C@H](C)C1 ZINC000077247067 522045069 /nfs/dbraw/zinc/04/50/69/522045069.db2.gz YCWLLSUWWULNSE-KBPBESRZSA-N 0 3 288.391 2.924 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000361468182 523211624 /nfs/dbraw/zinc/21/16/24/523211624.db2.gz ILVGYXWHGHPTGS-QGZVFWFLSA-N 0 3 293.370 2.607 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC2CCC1CC2 ZINC000311477382 523519849 /nfs/dbraw/zinc/51/98/49/523519849.db2.gz BWNFETWCZDUFGP-UHFFFAOYSA-N 0 3 256.349 2.941 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCC[C@@H]1OC ZINC000361768173 523525621 /nfs/dbraw/zinc/52/56/21/523525621.db2.gz YNEVMGIYAADPFS-ZBFHGGJFSA-N 0 3 274.364 2.614 20 30 CFEDHN CO[C@H](CNCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000191254815 523949932 /nfs/dbraw/zinc/94/99/32/523949932.db2.gz TWMXVFHFWVMEDV-MRXNPFEDSA-N 0 3 287.338 2.513 20 30 CFEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000335188607 524809702 /nfs/dbraw/zinc/80/97/02/524809702.db2.gz DZNWXKLYMXEPDV-JOYOIKCWSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CCN(C2CC2)C1 ZINC000336256554 524990932 /nfs/dbraw/zinc/99/09/32/524990932.db2.gz FAUGLTSFMAAAPX-CYBMUJFWSA-N 0 3 287.382 2.613 20 30 CFEDHN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305818139 525553489 /nfs/dbraw/zinc/55/34/89/525553489.db2.gz NISJCVKGUPYBHV-VQISRLSMSA-N 0 3 262.328 2.651 20 30 CFEDHN Cc1cn[nH]c1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336448899 526020661 /nfs/dbraw/zinc/02/06/61/526020661.db2.gz PWICWKUGTHDAEG-UHFFFAOYSA-N 0 3 278.359 2.879 20 30 CFEDHN C=C(C)CCN(CCC1CCCCC1)CC(N)=O ZINC000352050947 526441061 /nfs/dbraw/zinc/44/10/61/526441061.db2.gz WXHKHNLHRMNTQV-UHFFFAOYSA-N 0 3 252.402 2.710 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](C(C)(C)C)C[C@@H]2C)C1=O ZINC000347599803 526511908 /nfs/dbraw/zinc/51/19/08/526511908.db2.gz MERBXLULSXXMRK-KKUMJFAQSA-N 0 3 278.440 2.920 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCOC1 ZINC000352792986 526558448 /nfs/dbraw/zinc/55/84/48/526558448.db2.gz OGSYXXPLSNNCSM-AWEZNQCLSA-N 0 3 279.380 2.577 20 30 CFEDHN C=C(C)CN1CCC(NCc2csc(CC)n2)CC1 ZINC000106244930 526604156 /nfs/dbraw/zinc/60/41/56/526604156.db2.gz SKFROQSUPYNSJI-UHFFFAOYSA-N 0 3 279.453 2.836 20 30 CFEDHN N#Cc1ccc(CNCCC[C@@H]2CCCC[C@@H]2O)o1 ZINC000305148537 526622583 /nfs/dbraw/zinc/62/25/83/526622583.db2.gz ZGBQEAGQFOIBOL-WFASDCNBSA-N 0 3 262.353 2.572 20 30 CFEDHN N#Cc1ccc(CNCCn2cnc3ccccc32)cc1 ZINC000340408670 526623707 /nfs/dbraw/zinc/62/37/07/526623707.db2.gz KYDNCXKHMGVXOE-UHFFFAOYSA-N 0 3 276.343 2.698 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)s1 ZINC000246083918 526625980 /nfs/dbraw/zinc/62/59/80/526625980.db2.gz LKILOGYPEQWLGK-BFHYXJOUSA-N 0 3 274.389 2.667 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2n2cccn2)o1 ZINC000173573141 526626254 /nfs/dbraw/zinc/62/62/54/526626254.db2.gz MWDOQGGZYAFGQA-GJZGRUSLSA-N 0 3 270.336 2.621 20 30 CFEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)s1 ZINC000336116597 526627790 /nfs/dbraw/zinc/62/77/90/526627790.db2.gz LPDZKFMCKPOQGP-NSHDSACASA-N 0 3 270.357 2.582 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000350480241 526633672 /nfs/dbraw/zinc/63/36/72/526633672.db2.gz PZNITGWVBNCXFP-VYDXJSESSA-N 0 3 286.419 2.630 20 30 CFEDHN N#Cc1ccc(NC(=O)CN2CCC[C@H]2C2CCC2)cc1 ZINC000170872390 526650289 /nfs/dbraw/zinc/65/02/89/526650289.db2.gz QBQSIDWXPGHDMN-INIZCTEOSA-N 0 3 283.375 2.761 20 30 CFEDHN N#Cc1cccc(COc2cccc(CNCCCO)c2)c1 ZINC000067697369 526711106 /nfs/dbraw/zinc/71/11/06/526711106.db2.gz PIPJIGJBBZIQNL-UHFFFAOYSA-N 0 3 296.370 2.609 20 30 CFEDHN Cc1occc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000057379176 526824280 /nfs/dbraw/zinc/82/42/80/526824280.db2.gz DSDZZAHNBQXBGX-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H]2CC(=O)OC)cc1 ZINC000353745660 526867090 /nfs/dbraw/zinc/86/70/90/526867090.db2.gz KJKWGKAENRUURT-OAHLLOKOSA-N 0 3 289.375 2.779 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCOC[C@H]2OCC)c1 ZINC000353196031 526904518 /nfs/dbraw/zinc/90/45/18/526904518.db2.gz WGQADCNIHIACPP-IAGOWNOFSA-N 0 3 291.391 2.535 20 30 CFEDHN C=CCC(C)(C)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000352535960 527001425 /nfs/dbraw/zinc/00/14/25/527001425.db2.gz XSQYGBAEHCYOTP-BETUJISGSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H](CC)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000367185884 527054937 /nfs/dbraw/zinc/05/49/37/527054937.db2.gz KNAMHLUPDNDACQ-BXUZGUMPSA-N 0 3 297.395 2.989 20 30 CFEDHN C=CCCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110356284 527073451 /nfs/dbraw/zinc/07/34/51/527073451.db2.gz RHSPTHJYAUMDIB-AWEZNQCLSA-N 0 3 260.381 2.589 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000347627810 527153284 /nfs/dbraw/zinc/15/32/84/527153284.db2.gz VFTWMFRSLACFFQ-ZNMIVQPWSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCCCCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000354638849 527163684 /nfs/dbraw/zinc/16/36/84/527163684.db2.gz VPEIDABDOTUEOL-HZSPNIEDSA-N 0 3 252.402 2.720 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000353582942 527442287 /nfs/dbraw/zinc/44/22/87/527442287.db2.gz VJAGHGACHNGRQT-ZFWWWQNUSA-N 0 3 263.381 2.919 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1CCCN1CCOC)c1ccco1 ZINC000356061799 527486028 /nfs/dbraw/zinc/48/60/28/527486028.db2.gz CSBBEQPZGWGFKK-HOTGVXAUSA-N 0 3 292.423 2.987 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000347162685 527803426 /nfs/dbraw/zinc/80/34/26/527803426.db2.gz IIFHOYMIDLDAJO-AWEZNQCLSA-N 0 3 280.412 2.980 20 30 CFEDHN CCC1CCC(N(C)CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000353444981 527840228 /nfs/dbraw/zinc/84/02/28/527840228.db2.gz VWGWWVPSYHOJJI-QQFBHYJXSA-N 0 3 293.455 2.895 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000449782034 536525325 /nfs/dbraw/zinc/52/53/25/536525325.db2.gz YESXMBHEAIMZHT-ZDUSSCGKSA-N 0 3 276.355 2.946 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000449770234 536528775 /nfs/dbraw/zinc/52/87/75/536528775.db2.gz CSCADCNHAFPDJC-AWEZNQCLSA-N 0 3 258.365 2.807 20 30 CFEDHN CCCCC[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000347044241 528261344 /nfs/dbraw/zinc/26/13/44/528261344.db2.gz FCBNQIZYRMYTGS-CQSZACIVSA-N 0 3 277.412 2.594 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085790878 782166485 /nfs/dbraw/zinc/16/64/85/782166485.db2.gz UQAFWNAPBAJUIM-INIZCTEOSA-N 0 3 297.402 2.890 20 30 CFEDHN CCCNC(=O)CN(CCC)CCCC(C)(C)C#N ZINC000350685400 528382946 /nfs/dbraw/zinc/38/29/46/528382946.db2.gz PQHSXJFFEKJVTM-UHFFFAOYSA-N 0 3 267.417 2.555 20 30 CFEDHN CCOC(=O)C1(C)CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000354655788 528589019 /nfs/dbraw/zinc/58/90/19/528589019.db2.gz WOVNOUBFIJQMCK-REWIBIJMSA-N 0 3 278.396 2.780 20 30 CFEDHN CCCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347076720 528723342 /nfs/dbraw/zinc/72/33/42/528723342.db2.gz ULCKJTKMCHJLLY-RYUDHWBXSA-N 0 3 290.363 2.821 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344089485 528854592 /nfs/dbraw/zinc/85/45/92/528854592.db2.gz JGEPUKLPRIKOQQ-FRFSOERESA-N 0 3 291.439 2.551 20 30 CFEDHN CCN1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000353862972 528979357 /nfs/dbraw/zinc/97/93/57/528979357.db2.gz ZGMINOYUDKDZRX-MRXNPFEDSA-N 0 3 299.418 2.674 20 30 CFEDHN CCN1CCC[C@H](NC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329233289 529082200 /nfs/dbraw/zinc/08/22/00/529082200.db2.gz GUIYRWVTYUMVEF-OLZOCXBDSA-N 0 3 281.400 2.574 20 30 CFEDHN CC(C)NC(=O)[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000414342223 529145242 /nfs/dbraw/zinc/14/52/42/529145242.db2.gz LYHTUKHPRFILGE-CXAGYDPISA-N 0 3 299.418 2.828 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)C(C)C ZINC000414520505 529182461 /nfs/dbraw/zinc/18/24/61/529182461.db2.gz DCMPFPKLTIRQGP-HUUCEWRRSA-N 0 3 264.344 2.582 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1ncc(C#N)cc1F ZINC000413142464 529202142 /nfs/dbraw/zinc/20/21/42/529202142.db2.gz QVAVPCKXBDUKAZ-ZDUSSCGKSA-N 0 3 276.359 2.769 20 30 CFEDHN CCN(C(=O)/C=C\CN(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000491685036 535656282 /nfs/dbraw/zinc/65/62/82/535656282.db2.gz JGDRFRACWIMYCR-LMVHVUTASA-N 0 3 285.391 2.586 20 30 CFEDHN CC[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(C#N)cc1 ZINC000447588184 535904726 /nfs/dbraw/zinc/90/47/26/535904726.db2.gz SSIYGGBUSTVYGR-ODYMNIRHSA-N 0 3 278.421 2.756 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H](C)O ZINC000449542510 535915634 /nfs/dbraw/zinc/91/56/34/535915634.db2.gz MNTOBRRVEYWVLX-ZANVPECISA-N 0 3 286.297 2.826 20 30 CFEDHN CN(c1ccc(C(F)(F)F)c(C#N)n1)[C@H]1CCCN(C)C1 ZINC000443496374 536488213 /nfs/dbraw/zinc/48/82/13/536488213.db2.gz BFMUBKDUELHBIQ-JTQLQIEISA-N 0 3 298.312 2.502 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001085807949 782171695 /nfs/dbraw/zinc/17/16/95/782171695.db2.gz SIQNPBWGAJOJQD-OWCLPIDISA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001085807743 782171973 /nfs/dbraw/zinc/17/19/73/782171973.db2.gz OFSBYEXAMQLXOC-RBSFLKMASA-N 0 3 264.413 2.531 20 30 CFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744031145 574049792 /nfs/dbraw/zinc/04/97/92/574049792.db2.gz RONAWINWSUTPRV-ASCRHOAZSA-N 0 3 298.342 2.699 20 30 CFEDHN c1ccc2c(c1)CCCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753935255 574055908 /nfs/dbraw/zinc/05/59/08/574055908.db2.gz MXNFCCCGYQAPQN-IAGOWNOFSA-N 0 3 296.418 2.977 20 30 CFEDHN CC1(C)CC(=NNC2=N[C@@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000753934209 574056213 /nfs/dbraw/zinc/05/62/13/574056213.db2.gz HKNXQUVIWGUTTN-GASCZTMLSA-N 0 3 296.418 2.932 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000753959230 574059415 /nfs/dbraw/zinc/05/94/15/574059415.db2.gz GKSIXHAQVDRQGE-LLVKDONJSA-N 0 3 288.351 2.928 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000736680541 574064955 /nfs/dbraw/zinc/06/49/55/574064955.db2.gz OAMAHZPJYXNZOY-DTWKUNHWSA-N 0 3 259.334 2.633 20 30 CFEDHN C#CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000754050125 574065876 /nfs/dbraw/zinc/06/58/76/574065876.db2.gz BDDXWAWJKPRIST-UHFFFAOYSA-N 0 3 296.414 2.667 20 30 CFEDHN CCc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000727955132 574074608 /nfs/dbraw/zinc/07/46/08/574074608.db2.gz YVMZQDMPOVAGRE-IUODEOHRSA-N 0 3 286.375 2.586 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000754255741 574084543 /nfs/dbraw/zinc/08/45/43/574084543.db2.gz RRQSKXCJRSYMRC-NSHDSACASA-N 0 3 276.340 2.723 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000754262177 574085146 /nfs/dbraw/zinc/08/51/46/574085146.db2.gz ZFBKIUVERCNVMI-LBPRGKRZSA-N 0 3 256.353 2.686 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)[C@H]2CCCN2CCC)c1 ZINC000728537075 574099539 /nfs/dbraw/zinc/09/95/39/574099539.db2.gz XAGPFKLHKSDMAS-MRXNPFEDSA-N 0 3 270.376 2.505 20 30 CFEDHN COC(=O)C[C@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000754517429 574100038 /nfs/dbraw/zinc/10/00/38/574100038.db2.gz CYZXZBCMLSETCK-HNNXBMFYSA-N 0 3 291.778 2.623 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2CO)cc1 ZINC000728712204 574105788 /nfs/dbraw/zinc/10/57/88/574105788.db2.gz YNLHQFOBHGDHNQ-AWEZNQCLSA-N 0 3 296.370 2.760 20 30 CFEDHN C[Si](C)(C)CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000731211171 574113226 /nfs/dbraw/zinc/11/32/26/574113226.db2.gz ASXVDXFFGOYKBN-UHFFFAOYSA-N 0 3 291.446 2.697 20 30 CFEDHN C=CC1CCN(C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000732206259 574146434 /nfs/dbraw/zinc/14/64/34/574146434.db2.gz WEXGFOFOKJIFSZ-MRXNPFEDSA-N 0 3 291.391 2.635 20 30 CFEDHN CCCCCCCCN1CCC(O)(C(=O)OCC)CC1 ZINC000746463175 574150269 /nfs/dbraw/zinc/15/02/69/574150269.db2.gz QBRGQIMVWPEOIR-UHFFFAOYSA-N 0 3 285.428 2.737 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)C#Cc1ccccc1 ZINC000747358531 574192726 /nfs/dbraw/zinc/19/27/26/574192726.db2.gz AMHXAURHDDRMNI-UHFFFAOYSA-N 0 3 278.355 2.738 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730021548 574242366 /nfs/dbraw/zinc/24/23/66/574242366.db2.gz ILSDFWMHSTXSDX-VXGBXAGGSA-N 0 3 286.400 2.690 20 30 CFEDHN C=C(C)CNC(=S)Nc1ccc(C)cc1CN(C)C ZINC000733752540 574255055 /nfs/dbraw/zinc/25/50/55/574255055.db2.gz XIQXPEBICYAQIG-UHFFFAOYSA-N 0 3 277.437 2.919 20 30 CFEDHN CCCN(CC(=O)NCCC#N)[C@@H](CC)c1ccccc1 ZINC000746145422 574259242 /nfs/dbraw/zinc/25/92/42/574259242.db2.gz NHWXGZOYNVMCEK-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCCCCCC)CC1 ZINC000740737152 574264931 /nfs/dbraw/zinc/26/49/31/574264931.db2.gz BZXNQYHMNBWQLN-UHFFFAOYSA-N 0 3 278.440 2.951 20 30 CFEDHN c1cnc(N=NC2CCCC[C@@H]2N2CCCCC2)cn1 ZINC000748780022 574266177 /nfs/dbraw/zinc/26/61/77/574266177.db2.gz CXSPDTLSQXUMKD-AWEZNQCLSA-N 0 3 273.384 2.673 20 30 CFEDHN CCCN(C/C=C(\C)C(=O)OC)Cc1ccc(C#N)cc1 ZINC000748813969 574267837 /nfs/dbraw/zinc/26/78/37/574267837.db2.gz RTANUYVGEYQLDX-NTEUORMPSA-N 0 3 286.375 2.890 20 30 CFEDHN CCCCCCCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000740888963 574272950 /nfs/dbraw/zinc/27/29/50/574272950.db2.gz UUXDLHRPEVAFLP-CQSZACIVSA-N 0 3 275.458 2.713 20 30 CFEDHN CCN1CCC(=NNC(=S)NC2CCCCC2)[C@@H](C)C1 ZINC000741457524 574290894 /nfs/dbraw/zinc/29/08/94/574290894.db2.gz MNOMZWKWKYRJKC-LBPRGKRZSA-N 0 3 296.484 2.501 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1CCN(C)[C@@H](C)C1 ZINC000741459633 574291417 /nfs/dbraw/zinc/29/14/17/574291417.db2.gz FOPCMMXTVHQYND-NSHDSACASA-N 0 3 276.340 2.785 20 30 CFEDHN C[C@H]1CC(=NNCc2ccc(F)c(F)c2)CCN1C ZINC000741461550 574291451 /nfs/dbraw/zinc/29/14/51/574291451.db2.gz JXJYDEJJEPCFLP-JTQLQIEISA-N 0 3 267.323 2.525 20 30 CFEDHN C[C@@H]1CC(=NNCCCOc2ccccc2)CCN1C ZINC000741463540 574291689 /nfs/dbraw/zinc/29/16/89/574291689.db2.gz DIXDQNORDAHANG-CQSZACIVSA-N 0 3 275.396 2.515 20 30 CFEDHN C[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CC[N@@H+]1C ZINC000741464049 574291926 /nfs/dbraw/zinc/29/19/26/574291926.db2.gz KJXWVTCGOTWXSO-AKSKDWEKSA-N 0 3 266.772 2.947 20 30 CFEDHN C[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CC[N@H+]1C ZINC000741464049 574291927 /nfs/dbraw/zinc/29/19/27/574291927.db2.gz KJXWVTCGOTWXSO-AKSKDWEKSA-N 0 3 266.772 2.947 20 30 CFEDHN COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749843740 574312013 /nfs/dbraw/zinc/31/20/13/574312013.db2.gz GCERWLZWQCKXQG-GWMMYCTHSA-N 0 3 276.380 2.693 20 30 CFEDHN C=C1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402842 574323835 /nfs/dbraw/zinc/32/38/35/574323835.db2.gz LEYDNWHRGCTZTI-LBPRGKRZSA-N 0 3 269.352 2.580 20 30 CFEDHN CO[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000750391447 574337786 /nfs/dbraw/zinc/33/77/86/574337786.db2.gz RQHFKLVPUBQHTM-VHSXEESVSA-N 0 3 274.345 2.898 20 30 CFEDHN Cc1c(N=NC2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000755890200 574360501 /nfs/dbraw/zinc/36/05/01/574360501.db2.gz QPBVFHFJXQHCJK-JTQLQIEISA-N 0 3 288.351 2.785 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2cc(C)c(C)s2)CC1 ZINC000743492247 574366944 /nfs/dbraw/zinc/36/69/44/574366944.db2.gz REGCGIXBHYCANP-UHFFFAOYSA-N 0 3 290.432 2.582 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000752766875 574394965 /nfs/dbraw/zinc/39/49/65/574394965.db2.gz AHXYZBATRFEYJE-HIFRSBDPSA-N 0 3 298.342 2.501 20 30 CFEDHN C#C[C@H](CC)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000753063473 574398038 /nfs/dbraw/zinc/39/80/38/574398038.db2.gz UBQXYXFIKMAJNW-IAGOWNOFSA-N 0 3 299.418 2.535 20 30 CFEDHN C#CCOCCN[C@H](CC)c1ccccc1OC(F)F ZINC000753767620 574409972 /nfs/dbraw/zinc/40/99/72/574409972.db2.gz LDWDRQXNDUUQBQ-CYBMUJFWSA-N 0 3 283.318 2.979 20 30 CFEDHN C#CCOCCN[C@H](C)c1ccccc1OC(F)F ZINC000753772035 574410062 /nfs/dbraw/zinc/41/00/62/574410062.db2.gz WXCLKPMNEGANHY-LLVKDONJSA-N 0 3 269.291 2.588 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@H]1CCC2(CCC2)O1 ZINC000901631803 620875857 /nfs/dbraw/zinc/87/58/57/620875857.db2.gz POVVMIQVAHNJRK-ZIAGYGMSSA-N 0 3 261.369 2.511 20 30 CFEDHN COc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000900437570 620676918 /nfs/dbraw/zinc/67/69/18/620676918.db2.gz CPDWEFIAEUFCAZ-DZGCQCFKSA-N 0 3 299.374 2.522 20 30 CFEDHN CCC[C@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900470093 620679543 /nfs/dbraw/zinc/67/95/43/620679543.db2.gz PKMOSPQDABRNMX-CQSZACIVSA-N 0 3 284.363 2.713 20 30 CFEDHN CC(C)C[C@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900509959 620684362 /nfs/dbraw/zinc/68/43/62/620684362.db2.gz UFXUBBBHCCCALH-OAHLLOKOSA-N 0 3 298.390 2.959 20 30 CFEDHN C[C@H](C#N)OCCN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000801939372 630492096 /nfs/dbraw/zinc/49/20/96/630492096.db2.gz SIAKXJWODFRANK-MXWKQRLJSA-N 0 3 264.291 2.578 20 30 CFEDHN C[C@@H](CC#N)N(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900567632 620689586 /nfs/dbraw/zinc/68/95/86/620689586.db2.gz KAMYSPSBTCZBLY-LBPRGKRZSA-N 0 3 284.363 2.665 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819730389 606996386 /nfs/dbraw/zinc/99/63/86/606996386.db2.gz YKAMIDHCXIDSLB-VXGBXAGGSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819730389 606996388 /nfs/dbraw/zinc/99/63/88/606996388.db2.gz YKAMIDHCXIDSLB-VXGBXAGGSA-N 0 3 271.368 2.557 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000983387425 613005180 /nfs/dbraw/zinc/00/51/80/613005180.db2.gz CLYVYRVBMPTLNB-SJORKVTESA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC000965760953 613016245 /nfs/dbraw/zinc/01/62/45/613016245.db2.gz IXXOKLODBRIQMT-IUODEOHRSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589165 613023206 /nfs/dbraw/zinc/02/32/06/613023206.db2.gz RQDZYYWWZVTTAE-WMZOPIPTSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968340514 613023217 /nfs/dbraw/zinc/02/32/17/613023217.db2.gz PVRDAIZWYSOXEJ-YJBOKZPZSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965946756 613023938 /nfs/dbraw/zinc/02/39/38/613023938.db2.gz RFCADNXDUAUFMQ-DOTOQJQBSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589163 613024229 /nfs/dbraw/zinc/02/42/29/613024229.db2.gz RQDZYYWWZVTTAE-FUHWJXTLSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914920 613031693 /nfs/dbraw/zinc/03/16/93/613031693.db2.gz JOUGPSFVSSZMMB-JKSUJKDBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974814231 613031996 /nfs/dbraw/zinc/03/19/96/613031996.db2.gz GDBAOTMSEDCNTD-RBSFLKMASA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914917 613037298 /nfs/dbraw/zinc/03/72/98/613037298.db2.gz JOUGPSFVSSZMMB-CVEARBPZSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2CCCCC2)CC1 ZINC000948145915 613161438 /nfs/dbraw/zinc/16/14/38/613161438.db2.gz NKOIHQIKMJUNCE-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000948680426 613177686 /nfs/dbraw/zinc/17/76/86/613177686.db2.gz IEXXDKQKKPTMDA-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C=C2CCCCC2)CC1 ZINC000948209885 613177842 /nfs/dbraw/zinc/17/78/42/613177842.db2.gz WLHUONYDFNJORR-KRWDZBQOSA-N 0 3 288.435 2.823 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC000948646447 613178074 /nfs/dbraw/zinc/17/80/74/613178074.db2.gz AKCCMOBBEUGKKK-INIZCTEOSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2(C)CCCCC2)CC1 ZINC000948743556 613178095 /nfs/dbraw/zinc/17/80/95/613178095.db2.gz XLGVSSMXTPLPHK-INIZCTEOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC2(C)C)cc1 ZINC000974932620 613186525 /nfs/dbraw/zinc/18/65/25/613186525.db2.gz VFIVQASPYBQEQN-QGZVFWFLSA-N 0 3 296.414 2.684 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C[C@@H]1C ZINC000947580029 613223240 /nfs/dbraw/zinc/22/32/40/613223240.db2.gz INKLQOKVCVCJSM-GOEBONIOSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C[C@@H]1C ZINC000947551320 613224005 /nfs/dbraw/zinc/22/40/05/613224005.db2.gz IIZZCSNMTINBHE-GOEBONIOSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C)C[C@H]1C ZINC000947970773 613232435 /nfs/dbraw/zinc/23/24/35/613232435.db2.gz BLFUXZZJGPFUDR-HZPDHXFCSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000947959358 613235526 /nfs/dbraw/zinc/23/55/26/613235526.db2.gz XRJPRDIVQIUKEK-SWLSCSKDSA-N 0 3 290.794 2.556 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H](C)C1 ZINC000943211577 613258506 /nfs/dbraw/zinc/25/85/06/613258506.db2.gz ZWOGYVOIVGHFSI-WBVHZDCISA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC000970849903 613299868 /nfs/dbraw/zinc/29/98/68/613299868.db2.gz VLLWHBAXOQRBTI-GFCCVEGCSA-N 0 3 292.448 2.991 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC000970095394 613300118 /nfs/dbraw/zinc/30/01/18/613300118.db2.gz KARFNWNDHPYKGF-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2sccc2CC)C1 ZINC000970922634 613301285 /nfs/dbraw/zinc/30/12/85/613301285.db2.gz ZVCNFWCXFRJEBB-GFCCVEGCSA-N 0 3 292.448 2.937 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC000970799186 613302618 /nfs/dbraw/zinc/30/26/18/613302618.db2.gz BGNGUOBHPLSYBM-HNNXBMFYSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)c(C)s2)C1 ZINC000970849904 613302670 /nfs/dbraw/zinc/30/26/70/613302670.db2.gz VLLWHBAXOQRBTI-LBPRGKRZSA-N 0 3 292.448 2.991 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000981493884 613308306 /nfs/dbraw/zinc/30/83/06/613308306.db2.gz AVISYWYJOIQSDS-PMPSAXMXSA-N 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/nfs/dbraw/zinc/33/82/27/613338227.db2.gz LHTKCROHUBZIOM-HUUCEWRRSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000974867300 613341084 /nfs/dbraw/zinc/34/10/84/613341084.db2.gz FRXPZIMTKRRDCO-HNNXBMFYSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975012593 613341123 /nfs/dbraw/zinc/34/11/23/613341123.db2.gz OYYITEARJYJBLQ-AWEZNQCLSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000972989660 613341661 /nfs/dbraw/zinc/34/16/61/613341661.db2.gz SBUJNYMIMQMCOH-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)CC)C1 ZINC000963219957 613374401 /nfs/dbraw/zinc/37/44/01/613374401.db2.gz OKXTXSDLLTYCPH-UONOGXRCSA-N 0 3 284.831 2.852 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(C)C)C[C@@H]2C1 ZINC000979531541 613381597 /nfs/dbraw/zinc/38/15/97/613381597.db2.gz NPORVZFFHPRHMI-BFHYXJOUSA-N 0 3 284.831 2.612 20 30 CFEDHN 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AVGOZJRLIPINAF-DLBZAZTESA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001020423974 617626189 /nfs/dbraw/zinc/62/61/89/617626189.db2.gz ZZDZUZKQMCARRZ-YYFQZIEXSA-N 0 3 296.842 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[C@H](C)C2)C1 ZINC001020482389 617672907 /nfs/dbraw/zinc/67/29/07/617672907.db2.gz FCHSXFJWMXKYKW-PYJNHQTQSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001020487902 617674974 /nfs/dbraw/zinc/67/49/74/617674974.db2.gz VIMAYYFXBHWQHI-JOCQHMNTSA-N 0 3 282.815 2.556 20 30 CFEDHN COCCN(Cc1csc(C#N)c1)CC(C)C ZINC000891677596 617705952 /nfs/dbraw/zinc/70/59/52/617705952.db2.gz INTCXLWAFVTEGT-UHFFFAOYSA-N 0 3 252.383 2.724 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001020575367 617719706 /nfs/dbraw/zinc/71/97/06/617719706.db2.gz IVIVHLQUXWHDCT-SRVKXCTJSA-N 0 3 298.839 2.841 20 30 CFEDHN O=C1C=COC2(CCN(CCc3cccc(F)c3)CC2)C1 ZINC000933644353 617738693 /nfs/dbraw/zinc/73/86/93/617738693.db2.gz NUDZEHKGLOHAJB-UHFFFAOYSA-N 0 3 289.350 2.706 20 30 CFEDHN CCn1cc(CCN(C)Cc2cc(C#N)cs2)cn1 ZINC000933773267 617775868 /nfs/dbraw/zinc/77/58/68/617775868.db2.gz INOBLLPYXFNRSP-UHFFFAOYSA-N 0 3 274.393 2.511 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001020952569 617845092 /nfs/dbraw/zinc/84/50/92/617845092.db2.gz RVBBWDRQZNQTAN-LBNAYYHZSA-N 0 3 284.831 2.802 20 30 CFEDHN COC(=O)C[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)C ZINC000934025784 617864923 /nfs/dbraw/zinc/86/49/23/617864923.db2.gz JFDGSDQYRJJSRM-CQSZACIVSA-N 0 3 292.354 2.765 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C(C)(C)C)nc2)CC1 ZINC000890796916 617904974 /nfs/dbraw/zinc/90/49/74/617904974.db2.gz SLDAQNLFWOZOBW-UHFFFAOYSA-N 0 3 299.418 2.663 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001022578571 617919536 /nfs/dbraw/zinc/91/95/36/617919536.db2.gz DRMQJXJXLCUWEH-TXEJJXNPSA-N 0 3 295.814 2.741 20 30 CFEDHN C#CCCCCCC(=O)N(CCN(C)C)C1CCCC1 ZINC000779982185 617929316 /nfs/dbraw/zinc/92/93/16/617929316.db2.gz SWYUNAVNINJOCD-UHFFFAOYSA-N 0 3 278.440 2.903 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001021108514 617941806 /nfs/dbraw/zinc/94/18/06/617941806.db2.gz KDDHLBNLJOIXMQ-HDJSIYSDSA-N 0 3 296.773 2.759 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001022620962 617958605 /nfs/dbraw/zinc/95/86/05/617958605.db2.gz UMZZNRJSWXQVNL-ZZVYKPCYSA-N 0 3 284.831 2.802 20 30 CFEDHN C[C@@H](Cc1cccnc1)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934228661 617966623 /nfs/dbraw/zinc/96/66/23/617966623.db2.gz CBSUEODUFHMMBP-LBPRGKRZSA-N 0 3 296.330 2.582 20 30 CFEDHN C=C1CCC(C(=O)N[C@H]2C[C@@H](NCc3ccccn3)C2)CC1 ZINC001022649133 617972038 /nfs/dbraw/zinc/97/20/38/617972038.db2.gz YXXQNHBYIIUCEQ-CALCHBBNSA-N 0 3 299.418 2.565 20 30 CFEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021509173 618035631 /nfs/dbraw/zinc/03/56/31/618035631.db2.gz PIDHWUWMADKMMQ-IRXDYDNUSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CC[C@@H]1CCN1CCC(=O)c1ccc2c(c1)OCCO2 ZINC000934463122 618040943 /nfs/dbraw/zinc/04/09/43/618040943.db2.gz GGERRTZCHPJGNQ-CQSZACIVSA-N 0 3 287.359 2.681 20 30 CFEDHN CN(C)c1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cc1 ZINC000780251163 618063395 /nfs/dbraw/zinc/06/33/95/618063395.db2.gz AIZVVXLJMHXPOF-CQSZACIVSA-N 0 3 275.396 2.634 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccnn1CC1CCC1 ZINC000926116694 618119022 /nfs/dbraw/zinc/11/90/22/618119022.db2.gz SUUIORWDPCICHN-CYBMUJFWSA-N 0 3 263.385 2.536 20 30 CFEDHN C#Cc1ccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000891314153 618121326 /nfs/dbraw/zinc/12/13/26/618121326.db2.gz KYNXAKZFLHOIJX-HZSPNIEDSA-N 0 3 270.376 2.868 20 30 CFEDHN C[C@]12CSC[C@H]1CN(CC#Cc1ccccc1)C2 ZINC000934767210 618125272 /nfs/dbraw/zinc/12/52/72/618125272.db2.gz YJUGFNCSBWHKBA-CVEARBPZSA-N 0 3 257.402 2.723 20 30 CFEDHN N#Cc1cnccc1CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934835604 618144558 /nfs/dbraw/zinc/14/45/58/618144558.db2.gz VZRWMQVXOYXWFH-GDBMZVCRSA-N 0 3 285.391 2.592 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2sccc2C)C1 ZINC001023204468 618168483 /nfs/dbraw/zinc/16/84/83/618168483.db2.gz QSBYNYFNIBOQNP-CQSZACIVSA-N 0 3 290.432 2.522 20 30 CFEDHN C#CCC1(N[C@H]2CCN(c3ccc(C)cc3)C2=O)CCC1 ZINC000933299059 618193365 /nfs/dbraw/zinc/19/33/65/618193365.db2.gz OLMAKVZVVVHXRE-INIZCTEOSA-N 0 3 282.387 2.636 20 30 CFEDHN C#CCC1(NCC(=O)Nc2cccc(Cl)c2)CCC1 ZINC000933303311 618195837 /nfs/dbraw/zinc/19/58/37/618195837.db2.gz NOFWUAZBCHQBEQ-UHFFFAOYSA-N 0 3 276.767 2.814 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001023544714 618198438 /nfs/dbraw/zinc/19/84/38/618198438.db2.gz NYOASJRRLLWFRR-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001023613345 618206038 /nfs/dbraw/zinc/20/60/38/618206038.db2.gz IYUMLMNZHNOIPH-KRWDZBQOSA-N 0 3 298.430 2.769 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001023768053 618224240 /nfs/dbraw/zinc/22/42/40/618224240.db2.gz LPWFKIGSGMWMJU-CVEARBPZSA-N 0 3 290.451 2.664 20 30 CFEDHN CCC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N)c1 ZINC000901304719 620780579 /nfs/dbraw/zinc/78/05/79/620780579.db2.gz VGQWDLMGPGUYIZ-JJLQDPRZSA-N 0 3 275.396 2.929 20 30 CFEDHN COC(=O)C1(N(CC2CCC(C#N)CC2)C2CC2)CCC1 ZINC000930741923 618262292 /nfs/dbraw/zinc/26/22/92/618262292.db2.gz XHILIRFICIWIAR-UHFFFAOYSA-N 0 3 290.407 2.876 20 30 CFEDHN Cc1ccc(Cl)cc1N=NC1CCN(CCO)CC1 ZINC000901318503 620790787 /nfs/dbraw/zinc/79/07/87/620790787.db2.gz WAOVHEYXDLEBNQ-UHFFFAOYSA-N 0 3 281.787 2.504 20 30 CFEDHN C#C[C@@H](CC)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000310040878 618276022 /nfs/dbraw/zinc/27/60/22/618276022.db2.gz XYAUXQUZSHXLSU-LBPRGKRZSA-N 0 3 282.181 2.965 20 30 CFEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C)N1CC#N ZINC000930826768 618286958 /nfs/dbraw/zinc/28/69/58/618286958.db2.gz ABJWLSAZXPNICZ-HOTGVXAUSA-N 0 3 288.439 2.769 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@H]1COC2(CCCCC2)O1 ZINC000893306140 618291785 /nfs/dbraw/zinc/29/17/85/618291785.db2.gz XRXHGMZNPHHMPI-KRWDZBQOSA-N 0 3 285.387 2.704 20 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CC#CC[C@H](CO)NCc1ccc(C(F)F)c(F)c1 ZINC000895132749 618355155 /nfs/dbraw/zinc/35/51/55/618355155.db2.gz XCYMFHSXWMLKIM-LLVKDONJSA-N 0 3 271.282 2.627 20 30 CFEDHN C=C(Br)CNCc1cccc(C)c1O ZINC000162611688 618426942 /nfs/dbraw/zinc/42/69/42/618426942.db2.gz MTMHQIGJGTYQMS-UHFFFAOYSA-N 0 3 256.143 2.699 20 30 CFEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC(=C)C)cc1 ZINC001024587207 618396805 /nfs/dbraw/zinc/39/68/05/618396805.db2.gz CSYZKVAMILGSPJ-SFHVURJKSA-N 0 3 296.414 2.828 20 30 CFEDHN Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895161723 618409159 /nfs/dbraw/zinc/40/91/59/618409159.db2.gz TYBQVSODUXEIPH-XHSDSOJGSA-N 0 3 288.391 2.601 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001024620884 618423764 /nfs/dbraw/zinc/42/37/64/618423764.db2.gz DNSQPQGTMODFOM-QGZVFWFLSA-N 0 3 298.430 2.857 20 30 CFEDHN COC1(CCNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877550519 618424279 /nfs/dbraw/zinc/42/42/79/618424279.db2.gz IINJOLICAZYZEK-UHFFFAOYSA-N 0 3 279.771 2.655 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024661609 618434569 /nfs/dbraw/zinc/43/45/69/618434569.db2.gz JTDKOPAKLCBAAO-BRWVUGGUSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024663034 618435862 /nfs/dbraw/zinc/43/58/62/618435862.db2.gz DMTKDKTWUGAYRP-RBSFLKMASA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024664255 618436990 /nfs/dbraw/zinc/43/69/90/618436990.db2.gz PXZAJGPRKGGGBN-HNNXBMFYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024683107 618440629 /nfs/dbraw/zinc/44/06/29/618440629.db2.gz MWGKMCPWOFAYOY-OAHLLOKOSA-N 0 3 289.423 2.792 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001006911372 618450726 /nfs/dbraw/zinc/45/07/26/618450726.db2.gz CZYJLBQIIKCQLV-INIZCTEOSA-N 0 3 276.424 2.561 20 30 CFEDHN C=CCCC1(CNCc2cn(CC)nn2)CCCC1 ZINC000895320736 618531757 /nfs/dbraw/zinc/53/17/57/618531757.db2.gz PGDGOOADSAUSLQ-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C#C[C@@H](NCc1cccc2c1NCCC2)C1CCOCC1 ZINC000895332960 618535770 /nfs/dbraw/zinc/53/57/70/618535770.db2.gz SSKXWFWAOGGCCS-QGZVFWFLSA-N 0 3 284.403 2.563 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(OCC(C)C)cc2)CC1 ZINC000895383546 618560188 /nfs/dbraw/zinc/56/01/88/618560188.db2.gz XLZKUIINFITQIR-UHFFFAOYSA-N 0 3 287.403 2.682 20 30 CFEDHN C#C[C@@H](NCc1cc(O)cc(Cl)c1)C1CCOCC1 ZINC000895437243 618585409 /nfs/dbraw/zinc/58/54/09/618585409.db2.gz XMCFNFJTCJROAS-OAHLLOKOSA-N 0 3 279.767 2.564 20 30 CFEDHN CCc1nc(CCNCC#Cc2ccccc2)cs1 ZINC000892806873 618749986 /nfs/dbraw/zinc/74/99/86/618749986.db2.gz MZNAQUZJXIQKLY-UHFFFAOYSA-N 0 3 270.401 2.889 20 30 CFEDHN C[C@]1(Br)C[C@H]1CNCc1ccc(C#N)cc1F ZINC000892909989 618768301 /nfs/dbraw/zinc/76/83/01/618768301.db2.gz BSBBURLOYYBETI-AAEUAGOBSA-N 0 3 297.171 2.960 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121611700 618825273 /nfs/dbraw/zinc/82/52/73/618825273.db2.gz IUIPBGHDOVRCNM-VXGBXAGGSA-N 0 3 292.404 2.867 20 30 CFEDHN COCCOC[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000893194886 618876626 /nfs/dbraw/zinc/87/66/26/618876626.db2.gz NMYYHMKSKKJGRO-GDBMZVCRSA-N 0 3 276.380 2.673 20 30 CFEDHN CC1(C)OC[C@H](CN[C@@H](CCC#N)c2ccccc2)O1 ZINC000893194127 618876813 /nfs/dbraw/zinc/87/68/13/618876813.db2.gz CZFRJISORXLXJP-GJZGRUSLSA-N 0 3 274.364 2.773 20 30 CFEDHN C(#Cc1ccccc1)CNCCOCC1CCCC1 ZINC000313250610 618978165 /nfs/dbraw/zinc/97/81/65/618978165.db2.gz HPJXAZMHYNFRHT-UHFFFAOYSA-N 0 3 257.377 2.835 20 30 CFEDHN CO[C@@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000893510502 619028047 /nfs/dbraw/zinc/02/80/47/619028047.db2.gz HXXJFTKYZUHYEM-GFCCVEGCSA-N 0 3 250.367 2.621 20 30 CFEDHN C[C@H](CNCC#Cc1ccccc1)c1nccs1 ZINC000893569100 619075285 /nfs/dbraw/zinc/07/52/85/619075285.db2.gz YTTPWMZIPNRKIN-CYBMUJFWSA-N 0 3 256.374 2.888 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC)cc1 ZINC000105263016 619084207 /nfs/dbraw/zinc/08/42/07/619084207.db2.gz VKNJDGNAEYYSSN-BXUZGUMPSA-N 0 3 272.348 2.942 20 30 CFEDHN Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848455 619107184 /nfs/dbraw/zinc/10/71/84/619107184.db2.gz XLMFOZLEWXXHAB-CVEARBPZSA-N 0 3 299.418 2.750 20 30 CFEDHN Cc1cc(C#N)nc(N(C)CCCN(C)Cc2ccco2)c1 ZINC000893847814 619228718 /nfs/dbraw/zinc/22/87/18/619228718.db2.gz JVFICKQWMZCPLI-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN C=CC[C@@H](CC)NCc1cn(Cc2ccccc2)nn1 ZINC000894232864 619273394 /nfs/dbraw/zinc/27/33/94/619273394.db2.gz LJKUXQOOQZWJIF-OAHLLOKOSA-N 0 3 270.380 2.771 20 30 CFEDHN C#C[C@@H](NC1CCOCC1)c1ccc(Br)cc1 ZINC000894871504 619492640 /nfs/dbraw/zinc/49/26/40/619492640.db2.gz WHZKYZSBNOKKBM-CQSZACIVSA-N 0 3 294.192 2.892 20 30 CFEDHN CN(Cc1csc(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000895012723 619526171 /nfs/dbraw/zinc/52/61/71/619526171.db2.gz NYAPKUVQOLQMSH-MRXNPFEDSA-N 0 3 286.400 2.959 20 30 CFEDHN CN(Cc1csc(C#N)c1)C[C@](C)(O)c1ccccc1 ZINC000895012722 619526486 /nfs/dbraw/zinc/52/64/86/619526486.db2.gz NYAPKUVQOLQMSH-INIZCTEOSA-N 0 3 286.400 2.959 20 30 CFEDHN CC(C)(NCc1cccc(C#N)n1)[C@H](O)c1ccccc1 ZINC000895660920 619578098 /nfs/dbraw/zinc/57/80/98/619578098.db2.gz ABVSPFPSMSPDPH-MRXNPFEDSA-N 0 3 281.359 2.555 20 30 CFEDHN C#CC1(NCc2cc(C(=O)OC)cs2)CCCC1 ZINC000895678277 619580795 /nfs/dbraw/zinc/58/07/95/619580795.db2.gz ZAIMQPJHKDTFIM-UHFFFAOYSA-N 0 3 263.362 2.570 20 30 CFEDHN C#CCC1(O)CCN(CCc2cccc(Cl)c2)CC1 ZINC000895670827 619582774 /nfs/dbraw/zinc/58/27/74/619582774.db2.gz WFOXUMBYEBJAFF-UHFFFAOYSA-N 0 3 277.795 2.733 20 30 CFEDHN C#CCOc1ccc(CN2CCC(O)(CC=C)CC2)cc1 ZINC000895835143 619619639 /nfs/dbraw/zinc/61/96/39/619619639.db2.gz APHDEORIGCQWPV-UHFFFAOYSA-N 0 3 285.387 2.602 20 30 CFEDHN CCCCCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000895939295 619640012 /nfs/dbraw/zinc/64/00/12/619640012.db2.gz LGNNTVRTYDFPGO-LSDHHAIUSA-N 0 3 281.444 2.835 20 30 CFEDHN CCCCCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000895938682 619640229 /nfs/dbraw/zinc/64/02/29/619640229.db2.gz CXTDYWRBAZIPNB-AWEZNQCLSA-N 0 3 269.433 2.692 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000896096257 619673062 /nfs/dbraw/zinc/67/30/62/619673062.db2.gz ZLCNIPIQUVILGH-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN Cn1ccc([C@@H]2CCCN(Cc3cc(C#N)cs3)C2)n1 ZINC000896492451 619745466 /nfs/dbraw/zinc/74/54/66/619745466.db2.gz DSVKEWUNAQHLJG-CYBMUJFWSA-N 0 3 286.404 2.733 20 30 CFEDHN C=CCc1cc(CN2CC[C@H](OCC)C2)cc(OC)c1O ZINC000897067984 619924539 /nfs/dbraw/zinc/92/45/39/619924539.db2.gz HDSXRWIZGBOIGP-HNNXBMFYSA-N 0 3 291.391 2.740 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000897068902 619925036 /nfs/dbraw/zinc/92/50/36/619925036.db2.gz OKPNHMJHNJGZSZ-CJNGLKHVSA-N 0 3 274.364 2.588 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCCN2CCC(C)(C)C2)c1 ZINC000897249284 619958807 /nfs/dbraw/zinc/95/88/07/619958807.db2.gz SCVPNJYKWYTJNC-UHFFFAOYSA-N 0 3 285.391 2.905 20 30 CFEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccnc1 ZINC000034993523 620004797 /nfs/dbraw/zinc/00/47/97/620004797.db2.gz JHUZWQPZJDROCW-ZDUSSCGKSA-N 0 3 267.332 2.835 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000897501214 620192500 /nfs/dbraw/zinc/19/25/00/620192500.db2.gz PIJVBFZFQIJFCK-JSGCOSHPSA-N 0 3 262.378 2.667 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC000989207517 620237244 /nfs/dbraw/zinc/23/72/44/620237244.db2.gz NFTJHPWRYINLOF-RDJZCZTQSA-N 0 3 290.451 2.949 20 30 CFEDHN CC[C@@](C)(CN(C)Cc1cc(C#N)cs1)OC ZINC000897624799 620261948 /nfs/dbraw/zinc/26/19/48/620261948.db2.gz YGGQIQCKJWHGSW-ZDUSSCGKSA-N 0 3 252.383 2.867 20 30 CFEDHN CC1(C)C[C@@H](NCc2nc(C#N)cs2)CCS1 ZINC000897794741 620286291 /nfs/dbraw/zinc/28/62/91/620286291.db2.gz XYEVXVAMQBOJNT-VIFPVBQESA-N 0 3 267.423 2.779 20 30 CFEDHN C=C1CCC(C(=O)N(C)CCN2CCCCC2)CC1 ZINC000898098824 620338487 /nfs/dbraw/zinc/33/84/87/620338487.db2.gz DZGZXICEKQGNJT-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCCCN(CC)Cc1cnc([C@H](C)O)s1 ZINC000898244340 620356097 /nfs/dbraw/zinc/35/60/97/620356097.db2.gz HIUMUCOBWZHAAV-NSHDSACASA-N 0 3 254.399 2.985 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3ccsc32)C1 ZINC000989646172 620384291 /nfs/dbraw/zinc/38/42/91/620384291.db2.gz KIXCCJNZAPRXOX-JSGCOSHPSA-N 0 3 298.411 2.727 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C(C)C)c2)C1 ZINC000989644423 620384345 /nfs/dbraw/zinc/38/43/45/620384345.db2.gz WQDIPWCSWSDVLH-WMLDXEAASA-N 0 3 284.403 2.636 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000989720617 620387755 /nfs/dbraw/zinc/38/77/55/620387755.db2.gz YGYAQOVZYLFJLS-PBHICJAKSA-N 0 3 284.403 2.636 20 30 CFEDHN C#CCCN1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000989754717 620390960 /nfs/dbraw/zinc/39/09/60/620390960.db2.gz YGTHPTCSEZUMBS-HOTGVXAUSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC000989779226 620392226 /nfs/dbraw/zinc/39/22/26/620392226.db2.gz OLEFNIMTDAKFBZ-MAUKXSAKSA-N 0 3 298.430 2.711 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000989829748 620393543 /nfs/dbraw/zinc/39/35/43/620393543.db2.gz VZQHCDRJEHHDSK-HIFRSBDPSA-N 0 3 296.370 2.567 20 30 CFEDHN CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989867256 620396360 /nfs/dbraw/zinc/39/63/60/620396360.db2.gz ORJZHQTVSHTWLK-FUHWJXTLSA-N 0 3 297.402 2.581 20 30 CFEDHN CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989870805 620397083 /nfs/dbraw/zinc/39/70/83/620397083.db2.gz OISPFTNGPJUJMH-SJLPKXTDSA-N 0 3 297.402 2.581 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(F)c3)CCC[C@H]12 ZINC000989916198 620401945 /nfs/dbraw/zinc/40/19/45/620401945.db2.gz QOVZNELLNCDWHX-RDJZCZTQSA-N 0 3 288.366 2.739 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)CC3CCCCC3)CCC[C@H]12 ZINC000989936204 620404138 /nfs/dbraw/zinc/40/41/38/620404138.db2.gz RYUXELPYYQPNGC-WMZOPIPTSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccoc3CC)CCC[C@@H]12 ZINC000990458605 620424641 /nfs/dbraw/zinc/42/46/41/620424641.db2.gz ZZVRHWNVCCDOLN-NVXWUHKLSA-N 0 3 288.391 2.755 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)coc3C)CCC[C@H]12 ZINC000990514372 620428123 /nfs/dbraw/zinc/42/81/23/620428123.db2.gz LJHNKLUKHPIXJY-YOEHRIQHSA-N 0 3 288.391 2.809 20 30 CFEDHN COCCOc1ccc(CN[C@@H](C)CC(C)(C)C#N)cn1 ZINC000924692007 620441718 /nfs/dbraw/zinc/44/17/18/620441718.db2.gz JVVJMXMAZUSZMX-ZDUSSCGKSA-N 0 3 291.395 2.525 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1COC[C@@H]1C1CC1 ZINC000898388433 620458028 /nfs/dbraw/zinc/45/80/28/620458028.db2.gz SZQBLJACNPFLGW-CVEARBPZSA-N 0 3 273.376 2.766 20 30 CFEDHN N#CC1CCN(Cc2cccc3cnccc32)CC1 ZINC000183218931 625444277 /nfs/dbraw/zinc/44/42/77/625444277.db2.gz YMERXSITHJWRDO-UHFFFAOYSA-N 0 3 251.333 2.970 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@H](c2ccccc2F)C1 ZINC000801919947 621126767 /nfs/dbraw/zinc/12/67/67/621126767.db2.gz PMUQZZJOXFGJTR-CHWSQXEVSA-N 0 3 262.328 2.544 20 30 CFEDHN C=CCCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000902669061 621148662 /nfs/dbraw/zinc/14/86/62/621148662.db2.gz ISVKOVZQEMXOTP-HNNXBMFYSA-N 0 3 277.364 2.606 20 30 CFEDHN C=CCCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000902669061 621148665 /nfs/dbraw/zinc/14/86/65/621148665.db2.gz ISVKOVZQEMXOTP-HNNXBMFYSA-N 0 3 277.364 2.606 20 30 CFEDHN Cc1ccc(CCN[C@H](C)c2cc(C#N)ccn2)o1 ZINC000902745509 621163812 /nfs/dbraw/zinc/16/38/12/621163812.db2.gz PKUFERWSILZRIH-GFCCVEGCSA-N 0 3 255.321 2.748 20 30 CFEDHN C[C@@H](NCCN1Cc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902775011 621170672 /nfs/dbraw/zinc/17/06/72/621170672.db2.gz PUNDSKACXYUQPW-CQSZACIVSA-N 0 3 292.386 2.620 20 30 CFEDHN C=CCC[C@@H](NCc1nccn1C)[C@]1(C)CCCCO1 ZINC000902789633 621177074 /nfs/dbraw/zinc/17/70/74/621177074.db2.gz LQGWTMPUNITPLS-ZBFHGGJFSA-N 0 3 277.412 2.804 20 30 CFEDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cc(C#N)ccn1 ZINC000902822254 621182050 /nfs/dbraw/zinc/18/20/50/621182050.db2.gz UHSDEXONPAVOFX-GFCCVEGCSA-N 0 3 296.330 2.755 20 30 CFEDHN C[C@H](NC[C@@]1(C)CCCC[C@@H]1O)c1cc(C#N)ccn1 ZINC000902832169 621186970 /nfs/dbraw/zinc/18/69/70/621186970.db2.gz RTMBDOHGJBJKDO-VBNZEHGJSA-N 0 3 273.380 2.545 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](N[C@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902898416 621197430 /nfs/dbraw/zinc/19/74/30/621197430.db2.gz ZQIBBWCTCJGMAL-HKCMKHECSA-N 0 3 273.380 2.663 20 30 CFEDHN C[C@H](N[C@@H]1CCC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902919783 621202937 /nfs/dbraw/zinc/20/29/37/621202937.db2.gz PITMSDZJEDIURA-GXSJLCMTSA-N 0 3 251.280 2.792 20 30 CFEDHN COCC[C@@H](Cc1ccco1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902950050 621212649 /nfs/dbraw/zinc/21/26/49/621212649.db2.gz DWCYXJGTZTUZPG-HIFRSBDPSA-N 0 3 299.374 2.845 20 30 CFEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)c1nccs1 ZINC000902952049 621213073 /nfs/dbraw/zinc/21/30/73/621213073.db2.gz TVIJMQLNEYYGSF-QWRGUYRKSA-N 0 3 272.377 2.864 20 30 CFEDHN C[C@H](NCC[C@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902964295 621215903 /nfs/dbraw/zinc/21/59/03/621215903.db2.gz LDKOOSBRUAMWLS-KSSFIOAISA-N 0 3 295.386 2.902 20 30 CFEDHN CCOC1(CN[C@@H](C)c2cc(C#N)ccn2)CCCC1 ZINC000903000538 621225227 /nfs/dbraw/zinc/22/52/27/621225227.db2.gz LDSBIQHGGOXTEE-ZDUSSCGKSA-N 0 3 273.380 2.953 20 30 CFEDHN CO[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000903004588 621227371 /nfs/dbraw/zinc/22/73/71/621227371.db2.gz FPXFNLGVNQSTIG-WMLDXEAASA-N 0 3 295.386 2.862 20 30 CFEDHN C[C@H](NCC(C)(C)C1(O)CCCC1)c1cc(C#N)ccn1 ZINC000903014247 621229735 /nfs/dbraw/zinc/22/97/35/621229735.db2.gz OVEUMYQUCAQQGC-ZDUSSCGKSA-N 0 3 287.407 2.935 20 30 CFEDHN N#CC1(CNC2CCC(O)(C(F)(F)F)CC2)CCC1 ZINC000903032374 621230196 /nfs/dbraw/zinc/23/01/96/621230196.db2.gz RLDYKIFXGGHDHX-UHFFFAOYSA-N 0 3 276.302 2.506 20 30 CFEDHN CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000903035183 621230608 /nfs/dbraw/zinc/23/06/08/621230608.db2.gz KPJIFMUNQQHJSF-CVEARBPZSA-N 0 3 299.418 2.998 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cn(C)nn1 ZINC000903024459 621233920 /nfs/dbraw/zinc/23/39/20/621233920.db2.gz MQBOXKNYMHSAQQ-ZFWWWQNUSA-N 0 3 270.380 2.653 20 30 CFEDHN C=CCCC1(CN[C@@H](C)c2cn(C)nn2)CCCC1 ZINC000903047906 621241015 /nfs/dbraw/zinc/24/10/15/621241015.db2.gz SYYOIFJYOVTIHA-ZDUSSCGKSA-N 0 3 262.401 2.992 20 30 CFEDHN CC[C@@H](NCC1(C#N)CCCC1)C1(C(=O)OC)CCC1 ZINC000903109024 621256241 /nfs/dbraw/zinc/25/62/41/621256241.db2.gz KLAYTYWPKCJFHU-CYBMUJFWSA-N 0 3 278.396 2.782 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1nc(CN(C)C)cs1 ZINC000903227462 621296759 /nfs/dbraw/zinc/29/67/59/621296759.db2.gz VLDYKPWZKONFGT-RYUDHWBXSA-N 0 3 267.442 2.895 20 30 CFEDHN C=CCC[C@H](NCc1cn(C)cn1)[C@]1(C)CCCCO1 ZINC000903351348 621342929 /nfs/dbraw/zinc/34/29/29/621342929.db2.gz JXJMYMHDRKCZKN-HOTGVXAUSA-N 0 3 277.412 2.804 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)C1(N(C)C)CCC1 ZINC000832719139 625494394 /nfs/dbraw/zinc/49/43/94/625494394.db2.gz YFSUPTCIPGSPSI-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CCN(CC)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905081071 621690962 /nfs/dbraw/zinc/69/09/62/621690962.db2.gz PAAMTWNBZUDIOK-GQVHDAKQSA-N 0 3 296.374 2.965 20 30 CFEDHN CCOc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080182 621691060 /nfs/dbraw/zinc/69/10/60/621691060.db2.gz IUAIAPKSHZDGRX-SEEODLKFSA-N 0 3 269.304 2.518 20 30 CFEDHN CCc1ccc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905081590 621691516 /nfs/dbraw/zinc/69/15/16/621691516.db2.gz RYJSIUSVLBEIDW-KIFNTFBYSA-N 0 3 259.334 2.743 20 30 CFEDHN CCc1cccc(F)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905084692 621691937 /nfs/dbraw/zinc/69/19/37/621691937.db2.gz KIDIBRNOFQLXGT-MXFUOJGSSA-N 0 3 271.295 2.821 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2cscc2Cl)CC1 ZINC000905457877 621777037 /nfs/dbraw/zinc/77/70/37/621777037.db2.gz IJEAHDHEUZWVSV-JTQLQIEISA-N 0 3 270.785 2.546 20 30 CFEDHN CC(C)CC[C@@H](O)CNCc1cc(C#N)ccc1F ZINC000905519237 621788494 /nfs/dbraw/zinc/78/84/94/621788494.db2.gz SVPXWBYQEZXPHB-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)CC[C@H](O)CNCc1cc(C#N)ccc1F ZINC000905519236 621788777 /nfs/dbraw/zinc/78/87/77/621788777.db2.gz SVPXWBYQEZXPHB-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCSC2(CCC2)C1 ZINC000905602982 621795838 /nfs/dbraw/zinc/79/58/38/621795838.db2.gz WQRFEQBPMLIMFM-QWHCGFSZSA-N 0 3 263.410 2.838 20 30 CFEDHN CC1(C)C[C@@H](NC[C@@H](C#N)CCC#N)CCS1 ZINC000905664265 621812706 /nfs/dbraw/zinc/81/27/06/621812706.db2.gz RYPQCPYDOOXOMX-NEPJUHHUSA-N 0 3 251.399 2.694 20 30 CFEDHN C#CCN(Cn1cnc2cc(F)c(F)cc21)C(C)C ZINC000905742033 621842603 /nfs/dbraw/zinc/84/26/03/621842603.db2.gz ITAQIKXWBAUHQV-UHFFFAOYSA-N 0 3 263.291 2.616 20 30 CFEDHN C#CCC1(C(=O)N2CCCN(CC)C[C@@H]2C)CCCCC1 ZINC000910278302 622423879 /nfs/dbraw/zinc/42/38/79/622423879.db2.gz DIQTWURGKSUZRX-INIZCTEOSA-N 0 3 290.451 2.903 20 30 CFEDHN C=C(C)CONC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911901761 622567695 /nfs/dbraw/zinc/56/76/95/622567695.db2.gz NAOQYKXGBPLYIL-UHFFFAOYSA-N 0 3 273.336 2.528 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(Cl)ccc1OC ZINC000911910598 622581373 /nfs/dbraw/zinc/58/13/73/622581373.db2.gz HHEDGGYMVXLUJY-NSHDSACASA-N 0 3 282.771 2.971 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000911956546 622595708 /nfs/dbraw/zinc/59/57/08/622595708.db2.gz NCSUOSJHJRPJNK-LLVKDONJSA-N 0 3 277.324 2.525 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000912001930 622605311 /nfs/dbraw/zinc/60/53/11/622605311.db2.gz VQDQODRATPQULU-INIZCTEOSA-N 0 3 274.408 2.891 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(OCC)cc1 ZINC000911998005 622605465 /nfs/dbraw/zinc/60/54/65/622605465.db2.gz JVPIFZLHXNQBDT-MRXNPFEDSA-N 0 3 290.407 2.727 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000912053176 622620343 /nfs/dbraw/zinc/62/03/43/622620343.db2.gz BSDVLVCAIMYCOY-IINYFYTJSA-N 0 3 282.334 2.826 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNc1ccnc(C#N)c1)c1ccco1 ZINC000912151488 622651229 /nfs/dbraw/zinc/65/12/29/622651229.db2.gz YFRXXYJUQFYTEB-DOMZBBRYSA-N 0 3 284.363 2.509 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)cc(F)c1 ZINC000912153859 622652755 /nfs/dbraw/zinc/65/27/55/622652755.db2.gz XXJFNFMEQQQBPV-LBPRGKRZSA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000912201168 622660658 /nfs/dbraw/zinc/66/06/58/622660658.db2.gz RJARXUGPQWTFRF-HTAVTVPLSA-N 0 3 292.345 2.907 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)c(F)cc1F ZINC000912273588 622668695 /nfs/dbraw/zinc/66/86/95/622668695.db2.gz GMAKFNITXPBZAR-NSHDSACASA-N 0 3 272.270 2.726 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000912299993 622678511 /nfs/dbraw/zinc/67/85/11/622678511.db2.gz ASCWAVJSPCJWHJ-CQSZACIVSA-N 0 3 289.379 2.576 20 30 CFEDHN CC(C)(C(=O)NCCC#C[Si](C)(C)C)N1CCCCC1 ZINC000912336485 622695208 /nfs/dbraw/zinc/69/52/08/622695208.db2.gz SWUVBENHELDGQA-UHFFFAOYSA-N 0 3 294.515 2.638 20 30 CFEDHN C#CCCCCNCc1c(Cl)nc(Cl)n1C ZINC000150731094 622717090 /nfs/dbraw/zinc/71/70/90/622717090.db2.gz VPNGQQRQWZZOGM-UHFFFAOYSA-N 0 3 260.168 2.620 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H](N2CCC2)C1)c1ccccc1 ZINC000912913339 622794995 /nfs/dbraw/zinc/79/49/95/622794995.db2.gz JESSTWBZZHSUHD-WBVHZDCISA-N 0 3 284.403 2.653 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913096452 622833938 /nfs/dbraw/zinc/83/39/38/622833938.db2.gz ARSRFWRDCIWZOL-WMZOPIPTSA-N 0 3 298.430 2.817 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c2ccccc12 ZINC000840465687 622940727 /nfs/dbraw/zinc/94/07/27/622940727.db2.gz YFKMBZWJPZAZGK-UHFFFAOYSA-N 0 3 294.398 2.833 20 30 CFEDHN C=CCc1cc(OC)cc(CN2CCC(C#N)CC2)c1O ZINC000164228264 622941916 /nfs/dbraw/zinc/94/19/16/622941916.db2.gz PMLIYAHAOPLPNG-UHFFFAOYSA-N 0 3 286.375 2.865 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991498858 622946081 /nfs/dbraw/zinc/94/60/81/622946081.db2.gz CEUVKHHZEKEMSW-BBRMVZONSA-N 0 3 280.387 2.568 20 30 CFEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cn1 ZINC000821621150 622955728 /nfs/dbraw/zinc/95/57/28/622955728.db2.gz IKHPANIVNYZAAI-CYBMUJFWSA-N 0 3 291.310 2.950 20 30 CFEDHN C#CCCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000821630634 622957208 /nfs/dbraw/zinc/95/72/08/622957208.db2.gz FULZMFPBCKIOKP-MRXNPFEDSA-N 0 3 284.403 2.700 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC(CC)(CC)C1 ZINC000876969538 623000588 /nfs/dbraw/zinc/00/05/88/623000588.db2.gz RURDPLZMWIUGLJ-LBPRGKRZSA-N 0 3 272.820 2.885 20 30 CFEDHN N#CC(C(=O)C1CCCC1)c1nc2ccccc2[nH]1 ZINC000046440755 623075349 /nfs/dbraw/zinc/07/53/49/623075349.db2.gz DFFAURZTPCHQQI-NSHDSACASA-N 0 3 253.305 2.929 20 30 CFEDHN C#CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000076763549 623140658 /nfs/dbraw/zinc/14/06/58/623140658.db2.gz AECFSISXEDWGJC-CQSZACIVSA-N 0 3 296.351 2.954 20 30 CFEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171402152 623221266 /nfs/dbraw/zinc/22/12/66/623221266.db2.gz ZXUXHIIFOSIYDS-KWQFWETISA-N 0 3 296.779 2.739 20 30 CFEDHN CSCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171482484 623223857 /nfs/dbraw/zinc/22/38/57/623223857.db2.gz BVQCUDZKQZUWOX-SECBINFHSA-N 0 3 260.318 2.757 20 30 CFEDHN C#CCCCNCc1cc2c(cc1Br)OCO2 ZINC000230705556 623293373 /nfs/dbraw/zinc/29/33/73/623293373.db2.gz IREMWBJEQCRMKD-UHFFFAOYSA-N 0 3 296.164 2.681 20 30 CFEDHN CCCCCCCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000172650237 623295425 /nfs/dbraw/zinc/29/54/25/623295425.db2.gz PNQQRESMODKCHY-AWEZNQCLSA-N 0 3 275.458 2.856 20 30 CFEDHN CC(C)[C@H](CNCC(C)(C)C#N)CNC(=O)OC(C)(C)C ZINC000230950478 623314108 /nfs/dbraw/zinc/31/41/08/623314108.db2.gz MDYVPEDBPKXKNQ-CYBMUJFWSA-N 0 3 297.443 2.923 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12 ZINC000991977906 623435303 /nfs/dbraw/zinc/43/53/03/623435303.db2.gz VTBABBUFSULYSG-SJLPKXTDSA-N 0 3 299.418 2.611 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@@H]12 ZINC000992116954 623459288 /nfs/dbraw/zinc/45/92/88/623459288.db2.gz HZPJWQIITAGYRE-HDMKZQKVSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@H]12 ZINC000992124411 623462163 /nfs/dbraw/zinc/46/21/63/623462163.db2.gz ZZJKHZJAKJZQMI-GRDNDAEWSA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(C)co3)CCC[C@@H]12 ZINC000992133910 623465025 /nfs/dbraw/zinc/46/50/25/623465025.db2.gz VTDFMVTUIWVVMW-NVXWUHKLSA-N 0 3 288.391 2.891 20 30 CFEDHN Cc1ccc(CN(C[C@H](O)CC#N)C2CC2)cc1C ZINC000929697262 623514385 /nfs/dbraw/zinc/51/43/85/623514385.db2.gz RYCXICJRHRSCLO-MRXNPFEDSA-N 0 3 258.365 2.542 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@@H]12 ZINC000992338066 623520240 /nfs/dbraw/zinc/52/02/40/623520240.db2.gz KTOOUZGFZKFVDE-BVIKNXMNSA-N 0 3 288.435 2.722 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC(C)(C)CO ZINC000824602740 623529720 /nfs/dbraw/zinc/52/97/20/623529720.db2.gz CYUZVQHNBYQXPP-UHFFFAOYSA-N 0 3 295.810 2.850 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992425917 623548472 /nfs/dbraw/zinc/54/84/72/623548472.db2.gz RBPZVPYDLMOQKO-PKOBYXMFSA-N 0 3 296.414 2.745 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992425914 623548647 /nfs/dbraw/zinc/54/86/47/623548647.db2.gz RBPZVPYDLMOQKO-MJGOQNOKSA-N 0 3 296.414 2.745 20 30 CFEDHN C=CCC1(NC(=O)[C@H]2CCCN2C(C)C)CCCC1 ZINC000825436898 623693556 /nfs/dbraw/zinc/69/35/56/623693556.db2.gz FGWRVEQOBHASAF-CQSZACIVSA-N 0 3 264.413 2.864 20 30 CFEDHN C#C[C@@H](NCc1cncc(Br)c1C)C(C)C ZINC000825878956 623764426 /nfs/dbraw/zinc/76/44/26/623764426.db2.gz XNWYAKYTEOWRHF-CYBMUJFWSA-N 0 3 281.197 2.900 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000825878861 623764970 /nfs/dbraw/zinc/76/49/70/623764970.db2.gz VUMFMOAUIKFHOD-NSHDSACASA-N 0 3 265.740 2.628 20 30 CFEDHN C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993073185 623887433 /nfs/dbraw/zinc/88/74/33/623887433.db2.gz QCOCLJYNTYMZOC-HIFRSBDPSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993073185 623887441 /nfs/dbraw/zinc/88/74/41/623887441.db2.gz QCOCLJYNTYMZOC-HIFRSBDPSA-N 0 3 288.391 2.551 20 30 CFEDHN CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CC(CC#N)C1 ZINC000826985545 623918305 /nfs/dbraw/zinc/91/83/05/623918305.db2.gz INOYWZDLRPGTFS-AWEZNQCLSA-N 0 3 295.427 2.629 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnccc2C)[C@@H]1C ZINC000993171093 623975028 /nfs/dbraw/zinc/97/50/28/623975028.db2.gz ZTXJHPZOGZKHHI-HOCLYGCPSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ncccc2C)[C@@H]1C ZINC000993171447 623975053 /nfs/dbraw/zinc/97/50/53/623975053.db2.gz PSDHPIQDOGIUQZ-GJZGRUSLSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cncc(C)c2)[C@@H]1C ZINC000993176633 623979205 /nfs/dbraw/zinc/97/92/05/623979205.db2.gz BXZKKCNUFZTSCF-HOCLYGCPSA-N 0 3 287.407 2.549 20 30 CFEDHN CC(C)(C)OC(=O)NCCCNCC1(C#N)CCCCC1 ZINC000827384502 623996602 /nfs/dbraw/zinc/99/66/02/623996602.db2.gz SWSZVVZINQRFLH-UHFFFAOYSA-N 0 3 295.427 2.965 20 30 CFEDHN C#C[C@H](NCc1cc2cc(OC)ccc2o1)C1CCOCC1 ZINC000827565572 624033826 /nfs/dbraw/zinc/03/38/26/624033826.db2.gz NBZIXSTXAUBJHI-KRWDZBQOSA-N 0 3 299.370 2.959 20 30 CFEDHN C#C[C@@H](NCc1cnc(CC(C)C)s1)C1CCOCC1 ZINC000827565289 624033852 /nfs/dbraw/zinc/03/38/52/624033852.db2.gz KQHLNSULQBMRHQ-OAHLLOKOSA-N 0 3 292.448 2.860 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c(Cl)c1)C1CCOCC1 ZINC000827570830 624035968 /nfs/dbraw/zinc/03/59/68/624035968.db2.gz RVKDAYKZNPKGCS-OAHLLOKOSA-N 0 3 293.794 2.867 20 30 CFEDHN C#C[C@@H](NCc1ccccc1OCC=C)C1CCOCC1 ZINC000827570884 624036468 /nfs/dbraw/zinc/03/64/68/624036468.db2.gz TWQZACUOSIGCSQ-QGZVFWFLSA-N 0 3 285.387 2.769 20 30 CFEDHN C#C[C@@H](NCc1ccccc1OC(F)F)C1CCOCC1 ZINC000827570358 624036575 /nfs/dbraw/zinc/03/65/75/624036575.db2.gz NBKMOPFTAWTBOM-CQSZACIVSA-N 0 3 295.329 2.806 20 30 CFEDHN N#CC[C@@H](O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000929882320 624071987 /nfs/dbraw/zinc/07/19/87/624071987.db2.gz MROKHASDZGIDCX-LSDHHAIUSA-N 0 3 283.375 2.622 20 30 CFEDHN Cc1cc(C)c(C#N)c(SC[C@@H]2CCCN2C)n1 ZINC000915568553 624079499 /nfs/dbraw/zinc/07/94/99/624079499.db2.gz PSBZVGMXWFPPOG-LBPRGKRZSA-N 0 3 261.394 2.756 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993470076 624144992 /nfs/dbraw/zinc/14/49/92/624144992.db2.gz HCCKARMMWKPZFX-DZGCQCFKSA-N 0 3 276.424 2.722 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993657720 624159543 /nfs/dbraw/zinc/15/95/43/624159543.db2.gz QOWNYRIYELPEGU-GJZGRUSLSA-N 0 3 276.424 2.559 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@@H]1C ZINC000993840666 624170568 /nfs/dbraw/zinc/17/05/68/624170568.db2.gz GPCLDQQAAWIDFJ-BBRMVZONSA-N 0 3 297.402 2.937 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993901810 624172453 /nfs/dbraw/zinc/17/24/53/624172453.db2.gz LMBFNOPMBJQXAI-GDBMZVCRSA-N 0 3 289.423 2.790 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001015689671 624175230 /nfs/dbraw/zinc/17/52/30/624175230.db2.gz NOXFPAGOPLGRTE-OLZOCXBDSA-N 0 3 278.421 2.618 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994196265 624181354 /nfs/dbraw/zinc/18/13/54/624181354.db2.gz YOPSDVQBPLERLP-CJNGLKHVSA-N 0 3 290.451 2.968 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN1CCOCC1 ZINC000916290186 624237146 /nfs/dbraw/zinc/23/71/46/624237146.db2.gz ZPHQTXRUPGOHPN-NSWHJFITSA-N 0 3 285.391 2.616 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994294000 624275112 /nfs/dbraw/zinc/27/51/12/624275112.db2.gz DNORAHXFBGJVHC-AEFFLSMTSA-N 0 3 298.430 2.909 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC000994399962 624292747 /nfs/dbraw/zinc/29/27/47/624292747.db2.gz LDBCIEBBWRMMMH-WBVHZDCISA-N 0 3 286.419 2.693 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccn2CC)[C@H]1C ZINC000994420819 624293709 /nfs/dbraw/zinc/29/37/09/624293709.db2.gz LCOPBKKPLZHYRJ-CABCVRRESA-N 0 3 289.423 2.667 20 30 CFEDHN C=CCN(C[C@@H](O)c1c(F)cccc1F)C(C)C ZINC000917069534 624306904 /nfs/dbraw/zinc/30/69/04/624306904.db2.gz RRYFSZGVQXPGMV-CYBMUJFWSA-N 0 3 255.308 2.895 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(F)cc1F)C(C)C ZINC000917068841 624307134 /nfs/dbraw/zinc/30/71/34/624307134.db2.gz DTEGLSWSVJAACE-AWEZNQCLSA-N 0 3 255.308 2.895 20 30 CFEDHN CCCCCCCCCN(C)CC(=O)N1CCOCC1 ZINC000918742097 624484651 /nfs/dbraw/zinc/48/46/51/624484651.db2.gz VGGKSMZZXKBJDW-UHFFFAOYSA-N 0 3 284.444 2.528 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000829769135 624528890 /nfs/dbraw/zinc/52/88/90/624528890.db2.gz PGTXPHBZJNSPLB-CGZBRXJRSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000829773101 624528959 /nfs/dbraw/zinc/52/89/59/624528959.db2.gz AQCRPPDPZSEJPQ-LSDHHAIUSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000829773336 624529292 /nfs/dbraw/zinc/52/92/92/624529292.db2.gz DDZBIGQLEVPQSM-JKSUJKDBSA-N 0 3 284.403 2.773 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000829778604 624532946 /nfs/dbraw/zinc/53/29/46/624532946.db2.gz FFTVSOUVPLTYEJ-OLZOCXBDSA-N 0 3 275.348 2.863 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000829810157 624548963 /nfs/dbraw/zinc/54/89/63/624548963.db2.gz MHZMERWVAYHLGT-CYBMUJFWSA-N 0 3 275.348 2.692 20 30 CFEDHN CC(C)CO[C@@H]1C[C@H](NCC2(C#N)CC2)C1(C)C ZINC000831275838 624981203 /nfs/dbraw/zinc/98/12/03/624981203.db2.gz DVZYEBGNOWUNFN-QWHCGFSZSA-N 0 3 250.386 2.719 20 30 CFEDHN C#CCOc1ccc(CN2CCSC[C@H]2C)cc1 ZINC000179664142 624972557 /nfs/dbraw/zinc/97/25/57/624972557.db2.gz IOJRQVUVFPXHRR-CYBMUJFWSA-N 0 3 261.390 2.636 20 30 CFEDHN C=C(Br)CN[C@H]1CCCC[C@H]1C(=O)OCC ZINC000831674809 625093677 /nfs/dbraw/zinc/09/36/77/625093677.db2.gz OVQYPTZTTUMGIC-MNOVXSKESA-N 0 3 290.201 2.607 20 30 CFEDHN CCCCCCCN1CCN(C(C)=O)CC1(C)C ZINC000182176114 625264667 /nfs/dbraw/zinc/26/46/67/625264667.db2.gz JDOAUMASVSWGCT-UHFFFAOYSA-N 0 3 254.418 2.900 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000834888710 625910556 /nfs/dbraw/zinc/91/05/56/625910556.db2.gz PCGXUOYRUDFTPI-BHYNMZESSA-N 0 3 251.301 2.525 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccccc2C)CC1 ZINC000996905219 625942645 /nfs/dbraw/zinc/94/26/45/625942645.db2.gz ZXGARQIYEGQSFC-MRXNPFEDSA-N 0 3 298.430 2.849 20 30 CFEDHN Nc1ccc2c(c1)CCCC2=NNC[C@H]1CCSC1 ZINC000834980805 625944921 /nfs/dbraw/zinc/94/49/21/625944921.db2.gz UNPMYVIYBLTSIJ-LLVKDONJSA-N 0 3 275.421 2.652 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)ccc2C)CC1 ZINC000997405448 625994857 /nfs/dbraw/zinc/99/48/57/625994857.db2.gz DSVNZAOPNXQLCJ-MRXNPFEDSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2cc(C)cs2)CC1 ZINC000997574933 626008974 /nfs/dbraw/zinc/00/89/74/626008974.db2.gz FBWLHEPYDDWAMX-ZDUSSCGKSA-N 0 3 290.432 2.520 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)C2C=CC=CC=C2)CC1 ZINC000997604861 626012072 /nfs/dbraw/zinc/01/20/72/626012072.db2.gz NYAJIURCHHJCHN-INIZCTEOSA-N 0 3 298.430 2.525 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997908538 626020780 /nfs/dbraw/zinc/02/07/80/626020780.db2.gz KWYUKAPBRPAPQM-OAHLLOKOSA-N 0 3 288.391 2.620 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccsc2)CC1 ZINC000997930185 626023988 /nfs/dbraw/zinc/02/39/88/626023988.db2.gz UVAPQMURRDIRIW-OAHLLOKOSA-N 0 3 290.432 2.698 20 30 CFEDHN CCCCCCCCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851654458 634472945 /nfs/dbraw/zinc/47/29/45/634472945.db2.gz BSEVBMSLKUDDSE-ZIAGYGMSSA-N 0 3 287.423 2.818 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccsc2)C1 ZINC000998417560 626049584 /nfs/dbraw/zinc/04/95/84/626049584.db2.gz JSIVGAREOKXBPR-UHFFFAOYSA-N 0 3 284.812 2.693 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2c(C)coc2C)C1 ZINC000998717873 626059605 /nfs/dbraw/zinc/05/96/05/626059605.db2.gz IGPSCUSPOVXYHK-UHFFFAOYSA-N 0 3 296.798 2.842 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)C2CCC2)C1 ZINC000998976029 626064903 /nfs/dbraw/zinc/06/49/03/626064903.db2.gz WBEQCRGRCBGSET-XGNXJENSSA-N 0 3 284.831 2.754 20 30 CFEDHN C=CCSCCNCc1ccnn1C1CCC1 ZINC000921688957 626085870 /nfs/dbraw/zinc/08/58/70/626085870.db2.gz MOHQMWNXYYZDMY-UHFFFAOYSA-N 0 3 251.399 2.617 20 30 CFEDHN Cc1ccccc1[C@H](O)CNCc1csc(C#N)c1 ZINC000921734369 626101517 /nfs/dbraw/zinc/10/15/17/626101517.db2.gz ZYRXVPQTVUZHCJ-OAHLLOKOSA-N 0 3 272.373 2.751 20 30 CFEDHN C[C@](O)(CNCc1csc(C#N)c1)c1ccsc1 ZINC000921769262 626115656 /nfs/dbraw/zinc/11/56/56/626115656.db2.gz COFGCYYMCFSDJB-ZDUSSCGKSA-N 0 3 278.402 2.679 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc(C(C)C)n2)CC1 ZINC001000912057 626135255 /nfs/dbraw/zinc/13/52/55/626135255.db2.gz WEUDNZHKXZHAID-UHFFFAOYSA-N 0 3 299.418 2.753 20 30 CFEDHN Cc1cccc(NCCNCc2csc(C#N)c2)n1 ZINC000921820966 626144237 /nfs/dbraw/zinc/14/42/37/626144237.db2.gz LIVMSGAXKVMSCA-UHFFFAOYSA-N 0 3 272.377 2.525 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001001383172 626157336 /nfs/dbraw/zinc/15/73/36/626157336.db2.gz GYRNZKZEXYJBGC-KOMQPUFPSA-N 0 3 276.424 2.747 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001001438358 626157343 /nfs/dbraw/zinc/15/73/43/626157343.db2.gz HWNRWVIHUNCYQD-QGZVFWFLSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN1CCC(CNC(=O)c2cccc(C3CC3)c2)CC1 ZINC001002161215 626167540 /nfs/dbraw/zinc/16/75/40/626167540.db2.gz WQZAIYKWTMXGPZ-UHFFFAOYSA-N 0 3 296.414 2.639 20 30 CFEDHN Cc1cccc([C@@H](O)CNCc2csc(C#N)c2)c1 ZINC000921863599 626170205 /nfs/dbraw/zinc/17/02/05/626170205.db2.gz XNRMJNRFUCXGBQ-HNNXBMFYSA-N 0 3 272.373 2.751 20 30 CFEDHN C#CCN(C(=O)O[C@H](C)CC(C)C)C1CCN(C)CC1 ZINC000922024032 626197643 /nfs/dbraw/zinc/19/76/43/626197643.db2.gz ZOXKZZICYNMDLU-CQSZACIVSA-N 0 3 280.412 2.587 20 30 CFEDHN CC(C)(CCC#N)CNCc1nc(Br)c[nH]1 ZINC000922126559 626211580 /nfs/dbraw/zinc/21/15/80/626211580.db2.gz BQBLBNGYKCKRHU-UHFFFAOYSA-N 0 3 285.189 2.592 20 30 CFEDHN CCC[C@]1(NCc2csc(C#N)c2)CCOC1 ZINC000922123930 626212276 /nfs/dbraw/zinc/21/22/76/626212276.db2.gz ZEBZEVFABKANTF-ZDUSSCGKSA-N 0 3 250.367 2.669 20 30 CFEDHN CCC[C@@H](CNCc1csc(C#N)c1)OCC ZINC000922282399 626258533 /nfs/dbraw/zinc/25/85/33/626258533.db2.gz HIAWAJAVYZKZMX-LBPRGKRZSA-N 0 3 252.383 2.915 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2c(Cl)c(C)nn2C)CC1 ZINC000922329923 626271492 /nfs/dbraw/zinc/27/14/92/626271492.db2.gz NLQAQWYBLYBWOA-HAQNSBGRSA-N 0 3 265.788 2.664 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CCc2ccccc2)c(F)c1 ZINC000922549249 626305268 /nfs/dbraw/zinc/30/52/68/626305268.db2.gz RJYXCKSZQBNXHC-QGZVFWFLSA-N 0 3 298.361 2.781 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccs2)CC1 ZINC001005063669 626408275 /nfs/dbraw/zinc/40/82/75/626408275.db2.gz CTTCRYKRVBSFOF-UHFFFAOYSA-N 0 3 278.421 2.861 20 30 CFEDHN C#Cc1ccc(C(=O)N(C)C2CCN(CC(=C)C)CC2)cc1 ZINC001005805859 626421247 /nfs/dbraw/zinc/42/12/47/626421247.db2.gz PPJXWJNZPCLXBE-UHFFFAOYSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCC1(NCc2ccc(OC)c(OC)c2OC)CCC1 ZINC000923001915 626441481 /nfs/dbraw/zinc/44/14/81/626441481.db2.gz XRWMPXSVZGUXIV-UHFFFAOYSA-N 0 3 289.375 2.748 20 30 CFEDHN N#Cc1ccc(CN(CCOC2CC2)C2CC2)cc1 ZINC000929368328 626456186 /nfs/dbraw/zinc/45/61/86/626456186.db2.gz YGFKGWUUKQXSDP-UHFFFAOYSA-N 0 3 256.349 2.702 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC23CCCC3)CC1 ZINC001006250134 626481252 /nfs/dbraw/zinc/48/12/52/626481252.db2.gz ZBHXIABPPPVTSA-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000838186656 626489234 /nfs/dbraw/zinc/48/92/34/626489234.db2.gz SFNKIWQMGDNZPA-UHFFFAOYSA-N 0 3 292.448 2.832 20 30 CFEDHN C#C[C@@H](C)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000839088224 626524228 /nfs/dbraw/zinc/52/42/28/626524228.db2.gz PJGRUPSWJMVFNW-DTZQCDIJSA-N 0 3 275.417 2.936 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000758279561 626586738 /nfs/dbraw/zinc/58/67/38/626586738.db2.gz VZFAUZOVIGEPDS-HUUCEWRRSA-N 0 3 297.443 2.510 20 30 CFEDHN CS[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760342960 626737043 /nfs/dbraw/zinc/73/70/43/626737043.db2.gz ZRFYGEDQUDRDIU-IUODEOHRSA-N 0 3 283.356 2.757 20 30 CFEDHN CCCCCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000760913278 626784003 /nfs/dbraw/zinc/78/40/03/626784003.db2.gz OLDBPBHSSPCKJJ-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN Cc1sc2ncnc(N=NC3C[C@@H](C)N(C)C3)c2c1C ZINC000761801754 626859378 /nfs/dbraw/zinc/85/93/78/626859378.db2.gz OQQDRJFKIHCNPA-MRVPVSSYSA-N 0 3 289.408 2.800 20 30 CFEDHN COCC#CCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000762926954 626951283 /nfs/dbraw/zinc/95/12/83/626951283.db2.gz YGBYDTFCWVFHMY-HZPDHXFCSA-N 0 3 291.391 2.598 20 30 CFEDHN C#CCN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763949158 627024684 /nfs/dbraw/zinc/02/46/84/627024684.db2.gz HLOWFFGKZUQXKD-OAHLLOKOSA-N 0 3 297.320 2.706 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccn(C)n2)c([O-])c1 ZINC000765498444 627142971 /nfs/dbraw/zinc/14/29/71/627142971.db2.gz CBUYHAXEUCBDAT-BOPFTXTBSA-N 0 3 286.379 2.591 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCCOC[C@@H]2C)cc1 ZINC000769458730 627442336 /nfs/dbraw/zinc/44/23/36/627442336.db2.gz ZJCOTCJZEFXVCC-UONOGXRCSA-N 0 3 274.364 2.588 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000769458731 627442580 /nfs/dbraw/zinc/44/25/80/627442580.db2.gz ZJCOTCJZEFXVCC-ZIAGYGMSSA-N 0 3 274.364 2.588 20 30 CFEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1C1OCCO1 ZINC000769734555 627470981 /nfs/dbraw/zinc/47/09/81/627470981.db2.gz VMUFIKULPXJAES-AWEZNQCLSA-N 0 3 280.412 2.934 20 30 CFEDHN C#CCOCCN[C@@H](CC)c1ccccc1OCC ZINC000851897646 634578910 /nfs/dbraw/zinc/57/89/10/634578910.db2.gz QJXCSOLVMCKPFH-HNNXBMFYSA-N 0 3 261.365 2.776 20 30 CFEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000771581877 627616109 /nfs/dbraw/zinc/61/61/09/627616109.db2.gz GLWWMQNKLMZWII-ATJFRQLMSA-N 0 3 294.763 2.864 20 30 CFEDHN C=CCN(Cn1c(C)nnc1-c1cccc(C#N)c1)C1CC1 ZINC000771638543 627619484 /nfs/dbraw/zinc/61/94/84/627619484.db2.gz AVFDXPUUVFCODH-UHFFFAOYSA-N 0 3 293.374 2.733 20 30 CFEDHN C#CCOCCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000851992883 634619271 /nfs/dbraw/zinc/61/92/71/634619271.db2.gz DEPGJPYKQGGVCF-OAHLLOKOSA-N 0 3 281.783 2.609 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1CCC(=O)O1 ZINC000851997754 634621264 /nfs/dbraw/zinc/62/12/64/634621264.db2.gz OLMVNIMHIVOMBH-HNNXBMFYSA-N 0 3 259.349 2.770 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@](C)(CC)c1ccccc1 ZINC000775387464 628018617 /nfs/dbraw/zinc/01/86/17/628018617.db2.gz MWQJKYDHJDTFGU-KRWDZBQOSA-N 0 3 287.407 2.664 20 30 CFEDHN CC[C@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000775389944 628019482 /nfs/dbraw/zinc/01/94/82/628019482.db2.gz ZVQNHMCNVIEKIW-ZWKOTPCHSA-N 0 3 299.418 2.710 20 30 CFEDHN C#CCNC(=O)CN[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000775462379 628028273 /nfs/dbraw/zinc/02/82/73/628028273.db2.gz YYJKEUQKMVPVOM-OAHLLOKOSA-N 0 3 292.810 2.766 20 30 CFEDHN C=C(C)[C@H](N[C@@H](C)CCO)c1ccc(F)c(F)c1 ZINC000775558710 628036864 /nfs/dbraw/zinc/03/68/64/628036864.db2.gz QOMLNFZVXPRBJA-HZMBPMFUSA-N 0 3 255.308 2.943 20 30 CFEDHN C#C[C@H](N[C@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000775573575 628041740 /nfs/dbraw/zinc/04/17/40/628041740.db2.gz HUYSBPNGJDVDCD-ULQDDVLXSA-N 0 3 255.361 2.834 20 30 CFEDHN C#C[C@@H](NCCSc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775788617 628068283 /nfs/dbraw/zinc/06/82/83/628068283.db2.gz ICXKVZZAIBRQSF-CABCVRRESA-N 0 3 279.380 2.688 20 30 CFEDHN C#C[C@H](NCCSc1ccccc1)[C@H]1CCCO1 ZINC000775799895 628070053 /nfs/dbraw/zinc/07/00/53/628070053.db2.gz NKIASLSVJVGPJU-LSDHHAIUSA-N 0 3 261.390 2.549 20 30 CFEDHN C[C@@H](NCc1ccnc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000775830503 628073477 /nfs/dbraw/zinc/07/34/77/628073477.db2.gz KTZLKLLCQNHXSL-CYBMUJFWSA-N 0 3 280.375 2.870 20 30 CFEDHN C#CCCOc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000775985157 628091344 /nfs/dbraw/zinc/09/13/44/628091344.db2.gz KCWCKXLJINZXLP-HZPDHXFCSA-N 0 3 286.419 2.613 20 30 CFEDHN CC[C@@H](C(=O)C(C#N)c1nc(C)cs1)N(CC)CC ZINC000778595467 628318810 /nfs/dbraw/zinc/31/88/10/628318810.db2.gz OXZFCGFUOSNYFN-RYUDHWBXSA-N 0 3 279.409 2.748 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000852097561 634650956 /nfs/dbraw/zinc/65/09/56/634650956.db2.gz QYMPQXLJGXQARW-ZMSDIMECSA-N 0 3 276.424 2.559 20 30 CFEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000779188404 628359268 /nfs/dbraw/zinc/35/92/68/628359268.db2.gz NFJNJYMPFJNLNG-LBPRGKRZSA-N 0 3 254.374 2.504 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810528923 628373410 /nfs/dbraw/zinc/37/34/10/628373410.db2.gz YNBLWVKHRABXGK-CHWSQXEVSA-N 0 3 296.436 2.535 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)c1ccccc1Cl ZINC000852097904 634652020 /nfs/dbraw/zinc/65/20/20/634652020.db2.gz ZXSMKWABEXHCPQ-WBMJQRKESA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000852098739 634652982 /nfs/dbraw/zinc/65/29/82/634652982.db2.gz UTWMEUDOHNCCQB-JKIFEVAISA-N 0 3 272.392 2.644 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000852099116 634653322 /nfs/dbraw/zinc/65/33/22/634653322.db2.gz FEQAFEITQYIXGK-IIDMSEBBSA-N 0 3 286.419 2.952 20 30 CFEDHN C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12 ZINC000852100198 634654429 /nfs/dbraw/zinc/65/44/29/634654429.db2.gz FYIWXPQGHPNLTQ-KRWDZBQOSA-N 0 3 285.343 2.693 20 30 CFEDHN CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(N)cc1 ZINC000780249034 628444766 /nfs/dbraw/zinc/44/47/66/628444766.db2.gz DZRKPXWQHKTPCA-AWEZNQCLSA-N 0 3 261.369 2.540 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C(C)C)C1CCCC1 ZINC000852102277 634656834 /nfs/dbraw/zinc/65/68/34/634656834.db2.gz KTWALMVDGRSKLF-INIZCTEOSA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@](C)(CC)NC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000852103337 634657763 /nfs/dbraw/zinc/65/77/63/634657763.db2.gz DXJVUOAPHRBJET-GOEBONIOSA-N 0 3 278.396 2.531 20 30 CFEDHN C#C[C@](C)(CC)NCc1ccc(Cl)cc1-n1cncn1 ZINC000852103318 634657980 /nfs/dbraw/zinc/65/79/80/634657980.db2.gz DINDMEQWQHHRFL-OAHLLOKOSA-N 0 3 288.782 2.812 20 30 CFEDHN C#C[C@](C)(CC)NCc1ccnc(Br)c1 ZINC000852103730 634658924 /nfs/dbraw/zinc/65/89/24/634658924.db2.gz PSEOEJUYLCFGAU-GFCCVEGCSA-N 0 3 267.170 2.736 20 30 CFEDHN CC[C@@H](C#N)OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000781177843 628529816 /nfs/dbraw/zinc/52/98/16/628529816.db2.gz DDNWCJUXRFQPFR-CVEARBPZSA-N 0 3 286.375 2.744 20 30 CFEDHN CC[C@H](C#N)OC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000781177845 628530004 /nfs/dbraw/zinc/53/00/04/628530004.db2.gz DDNWCJUXRFQPFR-HZPDHXFCSA-N 0 3 286.375 2.744 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000852102852 634657282 /nfs/dbraw/zinc/65/72/82/634657282.db2.gz RNNGLKRSMIANAT-IBGZPJMESA-N 0 3 298.430 2.878 20 30 CFEDHN N#Cc1ccc(C2(C(=O)OCCN3CCCCC3)CC2)cc1 ZINC000781402727 628545785 /nfs/dbraw/zinc/54/57/85/628545785.db2.gz OAXGMQTZFLLSPJ-UHFFFAOYSA-N 0 3 298.386 2.619 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CC(C)(C)c2ccccc21 ZINC000783532546 628718319 /nfs/dbraw/zinc/71/83/19/628718319.db2.gz RHCZLFSBVMVADG-HNNXBMFYSA-N 0 3 293.432 2.599 20 30 CFEDHN C#CCCCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000783571330 628721819 /nfs/dbraw/zinc/72/18/19/628721819.db2.gz AHRSBYWYZXZWJA-UHFFFAOYSA-N 0 3 279.693 2.595 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1 ZINC000783727812 628738489 /nfs/dbraw/zinc/73/84/89/628738489.db2.gz FMQYNUKZNYWWKF-CJNGLKHVSA-N 0 3 288.391 2.570 20 30 CFEDHN COCC#CCN1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784374664 628811988 /nfs/dbraw/zinc/81/19/88/628811988.db2.gz UYDYZYIRJREESM-SFHVURJKSA-N 0 3 286.419 2.545 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1COC(=O)N(C)CC ZINC000805760753 628816580 /nfs/dbraw/zinc/81/65/80/628816580.db2.gz JMZZJFKYTXNVJW-ZDUSSCGKSA-N 0 3 254.374 2.505 20 30 CFEDHN CC#CCN1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764179 628830418 /nfs/dbraw/zinc/83/04/18/628830418.db2.gz YEBAQTFHGYKAOE-AWEZNQCLSA-N 0 3 280.412 2.779 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1COC(=O)NCCC ZINC000805772121 628862629 /nfs/dbraw/zinc/86/26/29/628862629.db2.gz CBELJKSZSACFTR-CYBMUJFWSA-N 0 3 254.374 2.553 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](C)NC(=O)OC(C)(C)C ZINC000785998299 628929521 /nfs/dbraw/zinc/92/95/21/628929521.db2.gz CBNJWOWIBVSXHK-QWHCGFSZSA-N 0 3 268.401 2.940 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](C)NC(=O)OC(C)(C)C ZINC000785998300 628929590 /nfs/dbraw/zinc/92/95/90/628929590.db2.gz CBNJWOWIBVSXHK-STQMWFEESA-N 0 3 268.401 2.940 20 30 CFEDHN N#CC(C(=O)[C@H]1CCCOCC1)c1nc2ccccc2[nH]1 ZINC000786273978 628945971 /nfs/dbraw/zinc/94/59/71/628945971.db2.gz CNJHYKWFXYJMKA-NWDGAFQWSA-N 0 3 283.331 2.556 20 30 CFEDHN C#CC[C@@H](OC(=O)C1CCN(C2CC2)CC1)C(C)(C)C ZINC000788204763 629050313 /nfs/dbraw/zinc/05/03/13/629050313.db2.gz JKQQTKBBBAPVQC-OAHLLOKOSA-N 0 3 277.408 2.842 20 30 CFEDHN C#CCC1(C(=O)NC[C@@H]2CCCCN2CC)CCCCC1 ZINC000788210195 629050863 /nfs/dbraw/zinc/05/08/63/629050863.db2.gz FLUGOZCVTWDWDT-INIZCTEOSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000788231391 629052617 /nfs/dbraw/zinc/05/26/17/629052617.db2.gz DJPBLOKVWNWGOF-HOCLYGCPSA-N 0 3 288.435 2.559 20 30 CFEDHN CCCCCCCN1CCCN(CCC)C(=O)C1 ZINC000788279545 629055858 /nfs/dbraw/zinc/05/58/58/629055858.db2.gz SHVQOHFBCZMGSN-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN C(=NNCCN1CCCCC1)c1cc2ccccc2[nH]1 ZINC000788425896 629065496 /nfs/dbraw/zinc/06/54/96/629065496.db2.gz LDHJYCWXEBGDQT-UHFFFAOYSA-N 0 3 270.380 2.577 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000852303654 634715838 /nfs/dbraw/zinc/71/58/38/634715838.db2.gz VTPDXJQIHGZFKE-NWDGAFQWSA-N 0 3 292.345 2.780 20 30 CFEDHN C#C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805902177 629183878 /nfs/dbraw/zinc/18/38/78/629183878.db2.gz KROJXUVVAYYUFX-SFHVURJKSA-N 0 3 297.398 2.854 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000852319026 634718633 /nfs/dbraw/zinc/71/86/33/634718633.db2.gz FJFUHHAXJQICIP-WFASDCNBSA-N 0 3 278.783 2.999 20 30 CFEDHN CCN(C)c1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000790949265 629273782 /nfs/dbraw/zinc/27/37/82/629273782.db2.gz LHKMLGVLCFCCPV-UHFFFAOYSA-N 0 3 280.375 2.699 20 30 CFEDHN N#CC(C(=O)[C@@H]1C[C@H]1C(F)(F)F)c1nc2ccccc2[nH]1 ZINC000835036272 629328991 /nfs/dbraw/zinc/32/89/91/629328991.db2.gz JQQKTJCVLISFNX-IWSPIJDZSA-N 0 3 293.248 2.938 20 30 CFEDHN C=CCN(C[C@@H](O)c1cccc(Cl)c1)[C@H](C)COC ZINC000852358513 634732159 /nfs/dbraw/zinc/73/21/59/634732159.db2.gz VBLOFKWGWNMWTF-IUODEOHRSA-N 0 3 283.799 2.896 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110026 629397921 /nfs/dbraw/zinc/39/79/21/629397921.db2.gz XERAYJLPBHXXSX-GUOLPTJISA-N 0 3 263.300 2.772 20 30 CFEDHN C=CCN(C[C@H](O)c1cccc(Cl)c1)[C@@H](C)COC ZINC000852358515 634732832 /nfs/dbraw/zinc/73/28/32/634732832.db2.gz VBLOFKWGWNMWTF-WFASDCNBSA-N 0 3 283.799 2.896 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000852357622 634732868 /nfs/dbraw/zinc/73/28/68/634732868.db2.gz FEVGYLDWWSXAHK-NHYWBVRUSA-N 0 3 285.334 2.521 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000794802497 629688187 /nfs/dbraw/zinc/68/81/87/629688187.db2.gz FZDJXRWRRUJZDF-YJBOKZPZSA-N 0 3 285.387 2.605 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)N(C)C ZINC000796550583 629933125 /nfs/dbraw/zinc/93/31/25/629933125.db2.gz IPAOWVXBTPZKET-ZDUSSCGKSA-N 0 3 254.374 2.505 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(F)F)cc1 ZINC000796637997 629943816 /nfs/dbraw/zinc/94/38/16/629943816.db2.gz YGIIZTYOAVYPQK-LBPRGKRZSA-N 0 3 294.301 2.942 20 30 CFEDHN C=CCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683402 629949999 /nfs/dbraw/zinc/94/99/99/629949999.db2.gz OESCPFBASWMOEL-AWEZNQCLSA-N 0 3 266.385 2.696 20 30 CFEDHN C=CCC[C@H](NCC[S@](=O)CC)c1ccco1 ZINC000796762387 629961918 /nfs/dbraw/zinc/96/19/18/629961918.db2.gz UPKROMOZKGJLBI-YVEFUNNKSA-N 0 3 255.383 2.645 20 30 CFEDHN Cc1ccc2c(NNc3ccncc3)csc2c1 ZINC000797786110 630103207 /nfs/dbraw/zinc/10/32/07/630103207.db2.gz HKTQMGGKGGERCX-UHFFFAOYSA-N 0 3 255.346 2.734 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN(C)CCCCCC ZINC000798039389 630143957 /nfs/dbraw/zinc/14/39/57/630143957.db2.gz HNWFBMJSZSAXHH-RDJZCZTQSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CC[C@H](CC)NCc1cn(-c2ccccc2)nn1 ZINC000798502934 630196758 /nfs/dbraw/zinc/19/67/58/630196758.db2.gz YCZWEAQBRKPVAQ-ZDUSSCGKSA-N 0 3 256.353 2.712 20 30 CFEDHN C=CCN1CC[C@H](N[C@@](C)(CC)c2ccccc2)C1=O ZINC000799155198 630280924 /nfs/dbraw/zinc/28/09/24/630280924.db2.gz SVJMSVPALNMFON-RDJZCZTQSA-N 0 3 272.392 2.688 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccccn2)C1 ZINC000799190220 630285347 /nfs/dbraw/zinc/28/53/47/630285347.db2.gz MWHWVWOIPCLWSD-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN N#CC1CCC(CNCc2cn(-c3ccccc3)nn2)CC1 ZINC000799343207 630301903 /nfs/dbraw/zinc/30/19/03/630301903.db2.gz BUJBINFJYVUNHG-UHFFFAOYSA-N 0 3 295.390 2.687 20 30 CFEDHN Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1C#N ZINC000799729522 630340945 /nfs/dbraw/zinc/34/09/45/630340945.db2.gz RKSXYXREBKXJPZ-KRWDZBQOSA-N 0 3 297.402 2.613 20 30 CFEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000800384489 630376193 /nfs/dbraw/zinc/37/61/93/630376193.db2.gz DFKHHVNYVGUTPK-HIFRSBDPSA-N 0 3 286.375 2.838 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714991 630404091 /nfs/dbraw/zinc/40/40/91/630404091.db2.gz RCYADWQDYKKVGX-ZYHUDNBSSA-N 0 3 269.772 2.942 20 30 CFEDHN Cc1ccccc1CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000103640307 630429381 /nfs/dbraw/zinc/42/93/81/630429381.db2.gz PKYAUZARORYQTC-INIZCTEOSA-N 0 3 298.386 2.695 20 30 CFEDHN COc1ccc(CN(CCO[C@H](C)C#N)C2CC2)cc1 ZINC000801910513 630485109 /nfs/dbraw/zinc/48/51/09/630485109.db2.gz SELJPQQCLLCZNH-CYBMUJFWSA-N 0 3 274.364 2.588 20 30 CFEDHN C[C@@H](C#N)OCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000801912453 630486056 /nfs/dbraw/zinc/48/60/56/630486056.db2.gz RKBLVCHNBDMEQD-UONOGXRCSA-N 0 3 294.420 2.658 20 30 CFEDHN CC[C@@H]1c2ccsc2CCN1CCO[C@@H](C)C#N ZINC000801915542 630486915 /nfs/dbraw/zinc/48/69/15/630486915.db2.gz RRBYLNLZWOMVRV-WCQYABFASA-N 0 3 264.394 2.986 20 30 CFEDHN C[C@H](C#N)OCCN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000801939369 630492426 /nfs/dbraw/zinc/49/24/26/630492426.db2.gz SIAKXJWODFRANK-AXFHLTTASA-N 0 3 264.291 2.578 20 30 CFEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCO[C@H](C)C#N ZINC000801952305 630495291 /nfs/dbraw/zinc/49/52/91/630495291.db2.gz SENSCRAXPGWQQS-DOMZBBRYSA-N 0 3 296.798 2.888 20 30 CFEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009572 630498092 /nfs/dbraw/zinc/49/80/92/630498092.db2.gz XPVFLDQMGYMVLQ-QGZVFWFLSA-N 0 3 292.423 2.733 20 30 CFEDHN C#CCCN(CCOC)CCOc1cccc(Cl)c1 ZINC000852753043 634825948 /nfs/dbraw/zinc/82/59/48/634825948.db2.gz UPVGTZWIBOYSPR-UHFFFAOYSA-N 0 3 281.783 2.691 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(CC)c2)CC1 ZINC000804265096 630665805 /nfs/dbraw/zinc/66/58/05/630665805.db2.gz HRYONVTYERGSPH-UHFFFAOYSA-N 0 3 288.366 2.672 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1CCC(C)C ZINC000836488791 630833217 /nfs/dbraw/zinc/83/32/17/630833217.db2.gz NXKRNVNNFCVWKE-MRXNPFEDSA-N 0 3 293.455 2.552 20 30 CFEDHN N#CC(C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccccn1 ZINC000041482259 649990831 /nfs/dbraw/zinc/99/08/31/649990831.db2.gz KISXAYGNYOKFPZ-QNMSZWNNSA-N 0 3 282.343 2.653 20 30 CFEDHN C#CCCCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000836920328 630916986 /nfs/dbraw/zinc/91/69/86/630916986.db2.gz RDMDPGZRSNMQGI-QGZVFWFLSA-N 0 3 298.430 2.770 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000807991490 630933011 /nfs/dbraw/zinc/93/30/11/630933011.db2.gz XVGHWXPBCSEUDK-NSHDSACASA-N 0 3 288.351 2.928 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)C#CC(C)(C)C)N(C)C)cc1 ZINC000837367703 631014933 /nfs/dbraw/zinc/01/49/33/631014933.db2.gz AWUQHYOYSQOMLZ-INIZCTEOSA-N 0 3 286.419 2.763 20 30 CFEDHN CC(C)(C)C#CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000837417596 631024774 /nfs/dbraw/zinc/02/47/74/631024774.db2.gz AADPOJIULDGQFT-QGZVFWFLSA-N 0 3 298.430 2.817 20 30 CFEDHN CCN(C(=O)C#CC1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000837531871 631057664 /nfs/dbraw/zinc/05/76/64/631057664.db2.gz PRDWWDWUUXGLFS-GOSISDBHSA-N 0 3 296.414 2.523 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccccc1 ZINC000837655437 631098589 /nfs/dbraw/zinc/09/85/89/631098589.db2.gz DYURZVNYCXXLNB-RDJZCZTQSA-N 0 3 298.430 2.815 20 30 CFEDHN C[C@H]1[C@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccccc1 ZINC000837655435 631099094 /nfs/dbraw/zinc/09/90/94/631099094.db2.gz DYURZVNYCXXLNB-DOTOQJQBSA-N 0 3 298.430 2.815 20 30 CFEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1ccc(C#N)o1 ZINC000837740131 631120311 /nfs/dbraw/zinc/12/03/11/631120311.db2.gz IPVCERIXTWTEPJ-GFCCVEGCSA-N 0 3 276.336 2.571 20 30 CFEDHN C#CCN(Cc1cc(C(=O)OC)n(C)c1)C1CCCCC1 ZINC000809555874 631233884 /nfs/dbraw/zinc/23/38/84/631233884.db2.gz GOXXMSIJHMQEMQ-UHFFFAOYSA-N 0 3 288.391 2.580 20 30 CFEDHN Cc1ccc([C@H]2CCCCCN2C[C@H](O)CC#N)o1 ZINC000809574421 631238731 /nfs/dbraw/zinc/23/87/31/631238731.db2.gz KRGVBHIEZVHMET-ZIAGYGMSSA-N 0 3 262.353 2.780 20 30 CFEDHN C#Cc1ccc(CNC(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000809629513 631251500 /nfs/dbraw/zinc/25/15/00/631251500.db2.gz SWEJHTPMEGBYEW-UHFFFAOYSA-N 0 3 298.430 2.843 20 30 CFEDHN C#C[C@H](C)NCc1sc2nc(C)nc(C)c2c1C ZINC000809683638 631260752 /nfs/dbraw/zinc/26/07/52/631260752.db2.gz IADMNXPXNDIEOJ-QMMMGPOBSA-N 0 3 259.378 2.728 20 30 CFEDHN C#C[C@H](NCc1cnc2ccc(C)cn12)C(C)(C)C ZINC000809783166 631288933 /nfs/dbraw/zinc/28/89/33/631288933.db2.gz TVDZOWFDRSVUOF-AWEZNQCLSA-N 0 3 255.365 2.780 20 30 CFEDHN C=CCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033433 631317501 /nfs/dbraw/zinc/31/75/01/631317501.db2.gz HFLKTHSVUMHWAM-AWEZNQCLSA-N 0 3 266.385 2.696 20 30 CFEDHN C=CCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810684819 631426433 /nfs/dbraw/zinc/42/64/33/631426433.db2.gz JVIGZSOCWQZDSS-OAHLLOKOSA-N 0 3 270.392 2.671 20 30 CFEDHN c1ccc([C@H]2CC(=NN[C@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841635887 631439598 /nfs/dbraw/zinc/43/95/98/631439598.db2.gz QHKBRXYEQHQKKN-FUHWJXTLSA-N 0 3 299.418 2.720 20 30 CFEDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000841898546 631491209 /nfs/dbraw/zinc/49/12/09/631491209.db2.gz NQPCFVYZLOGDFI-CHWSQXEVSA-N 0 3 295.427 2.962 20 30 CFEDHN C[C@@]1(CCNC[C@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842156122 631554957 /nfs/dbraw/zinc/55/49/57/631554957.db2.gz LTGNUYHUBRRGHZ-WDEREUQCSA-N 0 3 274.195 2.994 20 30 CFEDHN C#CCN(CC)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811459095 631565363 /nfs/dbraw/zinc/56/53/63/631565363.db2.gz WOYDXBPYXRTICI-AWEZNQCLSA-N 0 3 282.428 2.881 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811466113 631566183 /nfs/dbraw/zinc/56/61/83/631566183.db2.gz RXFNOSRDGQKCMY-CJNGLKHVSA-N 0 3 282.403 2.766 20 30 CFEDHN C#C[C@@H](NCCc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000811492186 631570794 /nfs/dbraw/zinc/57/07/94/631570794.db2.gz XTYTVXOEFOAICK-HUUCEWRRSA-N 0 3 281.758 2.792 20 30 CFEDHN C[C@H](C#N)COC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842325514 631593092 /nfs/dbraw/zinc/59/30/92/631593092.db2.gz ZGXXEMKGKOQLTO-CQSZACIVSA-N 0 3 286.375 2.989 20 30 CFEDHN CC(=NNC[C@@H]1CCSC1)c1ccccc1N(C)C ZINC000811659705 631598350 /nfs/dbraw/zinc/59/83/50/631598350.db2.gz WUQGSYVKVVFNDG-ZDUSSCGKSA-N 0 3 277.437 2.819 20 30 CFEDHN C#C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)c1ccc(Cl)cc1 ZINC000812351105 631694369 /nfs/dbraw/zinc/69/43/69/631694369.db2.gz GCDWAYRUNKBKII-CABCVRRESA-N 0 3 292.810 2.717 20 30 CFEDHN N#CC(C(=O)[C@@H]1CCC(=O)C1)c1ccc2ccccc2n1 ZINC000842681855 631705916 /nfs/dbraw/zinc/70/59/16/631705916.db2.gz IKPCBLGVTOCZHJ-OCCSQVGLSA-N 0 3 278.311 2.780 20 30 CFEDHN N#CCc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000842720108 631715979 /nfs/dbraw/zinc/71/59/79/631715979.db2.gz RGEMXQYGHXTNFP-UHFFFAOYSA-N 0 3 278.355 2.977 20 30 CFEDHN C#C[C@H](N[C@@H](C)C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000812792665 631779994 /nfs/dbraw/zinc/77/99/94/631779994.db2.gz GDINFSZDWJNFPE-ZENOOKHLSA-N 0 3 261.340 2.905 20 30 CFEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000812824554 631791530 /nfs/dbraw/zinc/79/15/30/631791530.db2.gz VDTPFAIYKQGBDP-INIZCTEOSA-N 0 3 289.354 2.709 20 30 CFEDHN C=CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000812895607 631803430 /nfs/dbraw/zinc/80/34/30/631803430.db2.gz GMZNBCZOMICREB-HNNXBMFYSA-N 0 3 270.392 2.622 20 30 CFEDHN N#CCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000813083129 631830098 /nfs/dbraw/zinc/83/00/98/631830098.db2.gz JIXYXSRLDATIAZ-INIZCTEOSA-N 0 3 286.375 2.888 20 30 CFEDHN C#CC1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000843426985 631954288 /nfs/dbraw/zinc/95/42/88/631954288.db2.gz PSPODIJXNMZTIR-UHFFFAOYSA-N 0 3 265.360 2.922 20 30 CFEDHN C#CC1CCN(Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000843427306 631955399 /nfs/dbraw/zinc/95/53/99/631955399.db2.gz ZEOXDTDDKOROAO-UHFFFAOYSA-N 0 3 283.375 2.834 20 30 CFEDHN C#CC1CCN(Cc2c(C)cc(OC)nc2C)CC1 ZINC000843427240 631955427 /nfs/dbraw/zinc/95/54/27/631955427.db2.gz WNYPVPBXKCPJIY-UHFFFAOYSA-N 0 3 258.365 2.552 20 30 CFEDHN C#CC1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000843428333 631955601 /nfs/dbraw/zinc/95/56/01/631955601.db2.gz GRJMKRIEJXUXLE-UHFFFAOYSA-N 0 3 269.348 2.823 20 30 CFEDHN C#CC1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000843428967 631956399 /nfs/dbraw/zinc/95/63/99/631956399.db2.gz RHTLWUREUOXWQW-UHFFFAOYSA-N 0 3 259.349 2.549 20 30 CFEDHN C#C[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC000813778370 631958672 /nfs/dbraw/zinc/95/86/72/631958672.db2.gz YCUXSDBSORKROO-CABCVRRESA-N 0 3 278.440 2.661 20 30 CFEDHN C#CC[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000843999821 632092286 /nfs/dbraw/zinc/09/22/86/632092286.db2.gz RXPFRBBATGWAAQ-HNNXBMFYSA-N 0 3 284.403 2.624 20 30 CFEDHN CCC(=NNCCC(=O)OC(C)(C)C)c1cccc(N)c1 ZINC000814901534 632155746 /nfs/dbraw/zinc/15/57/46/632155746.db2.gz QQNZLBTVNURYOC-UHFFFAOYSA-N 0 3 291.395 2.704 20 30 CFEDHN Fc1cc(NNC2=C[C@@H](C(F)(F)F)OCC2)ccn1 ZINC000814902161 632155968 /nfs/dbraw/zinc/15/59/68/632155968.db2.gz GTGHBZRIABPMBO-VIFPVBQESA-N 0 3 277.221 2.730 20 30 CFEDHN CO[C@@H](CC(C)C)CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370168 632181889 /nfs/dbraw/zinc/18/18/89/632181889.db2.gz GFIAMNJUQHCQAU-DLBZAZTESA-N 0 3 290.407 2.585 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844376140 632185223 /nfs/dbraw/zinc/18/52/23/632185223.db2.gz RWEQMKIKXJMNFG-CVEARBPZSA-N 0 3 295.810 2.560 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000815015983 632188620 /nfs/dbraw/zinc/18/86/20/632188620.db2.gz QWDLFSMGHSIYLP-NEPJUHHUSA-N 0 3 274.355 2.577 20 30 CFEDHN C=CCC(F)(F)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000815148684 632217290 /nfs/dbraw/zinc/21/72/90/632217290.db2.gz FOVXAMUXHINBQO-UHFFFAOYSA-N 0 3 274.355 2.531 20 30 CFEDHN C[C@@H]1[C@@H](C)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000815163044 632221135 /nfs/dbraw/zinc/22/11/35/632221135.db2.gz GXTFBIQJYOZVHX-QWHCGFSZSA-N 0 3 280.375 2.799 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000815209385 632229674 /nfs/dbraw/zinc/22/96/74/632229674.db2.gz VFCPIYBIYBJMSF-DOMZBBRYSA-N 0 3 294.782 2.722 20 30 CFEDHN C=CCC(F)(F)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000815510122 632284960 /nfs/dbraw/zinc/28/49/60/632284960.db2.gz KKUPEKGBSOBFDV-TXEJJXNPSA-N 0 3 274.355 2.577 20 30 CFEDHN C=CCC(F)(F)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000815510121 632285144 /nfs/dbraw/zinc/28/51/44/632285144.db2.gz KKUPEKGBSOBFDV-RYUDHWBXSA-N 0 3 274.355 2.577 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000817280572 632592399 /nfs/dbraw/zinc/59/23/99/632592399.db2.gz APGONONIJNKHLT-QWRGUYRKSA-N 0 3 264.291 2.579 20 30 CFEDHN Nc1ccc2c(c1)C(=NN[C@H]1CCSC1)CCCC2 ZINC000817329732 632604221 /nfs/dbraw/zinc/60/42/21/632604221.db2.gz ZXYFYHUYLOSBFV-ZDUSSCGKSA-N 0 3 275.421 2.794 20 30 CFEDHN COc1cccc([C@@H](C)NCc2ccc(C#N)cn2)c1O ZINC000846163629 632650876 /nfs/dbraw/zinc/65/08/76/632650876.db2.gz JIJYODRMZCGTOB-LLVKDONJSA-N 0 3 283.331 2.518 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(C)C[C@H]1CCCN1C ZINC000817676289 632684012 /nfs/dbraw/zinc/68/40/12/632684012.db2.gz CWGQSWHNQKEQJZ-CABCVRRESA-N 0 3 297.443 2.510 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817714827 632690540 /nfs/dbraw/zinc/69/05/40/632690540.db2.gz XLQIHQGAELUIAV-WDEREUQCSA-N 0 3 265.316 2.550 20 30 CFEDHN CC(C)(C)C#CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000846593098 632755112 /nfs/dbraw/zinc/75/51/12/632755112.db2.gz IHEQOOJVVFJWHM-IBGZPJMESA-N 0 3 298.430 2.817 20 30 CFEDHN CCC(C#N)C(=O)N=c1ccccn1Cc1ccc(C)cc1 ZINC000846632106 632763653 /nfs/dbraw/zinc/76/36/53/632763653.db2.gz VJVGGMUWGMMNHK-INIZCTEOSA-N 0 3 293.370 2.822 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000818089517 632798342 /nfs/dbraw/zinc/79/83/42/632798342.db2.gz XDZCVBVWPMPHMY-HNNXBMFYSA-N 0 3 287.407 2.968 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846984212 632868293 /nfs/dbraw/zinc/86/82/93/632868293.db2.gz ZFTHRJBFRNKHIM-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCCCC1(C)C ZINC000818606109 632877055 /nfs/dbraw/zinc/87/70/55/632877055.db2.gz DCMKJDHCSUJXSO-OAHLLOKOSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1sccc1C(C)C ZINC000818611811 632879956 /nfs/dbraw/zinc/87/99/56/632879956.db2.gz DOGNOJYKFZRNGQ-UHFFFAOYSA-N 0 3 278.421 2.556 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000847033367 632898784 /nfs/dbraw/zinc/89/87/84/632898784.db2.gz WMBCMNYVKCWLGX-CQSZACIVSA-N 0 3 281.355 2.947 20 30 CFEDHN N#CC(C(=O)CC1=CCCCC1)C(=O)NC1CCCC1 ZINC000106985455 633008046 /nfs/dbraw/zinc/00/80/46/633008046.db2.gz XZRQJGIEUIMYOK-AWEZNQCLSA-N 0 3 274.364 2.645 20 30 CFEDHN N#CC(C(=O)c1cc(Cl)nc(C2CC2)c1)c1ccncn1 ZINC000847684037 633040642 /nfs/dbraw/zinc/04/06/42/633040642.db2.gz XLLQIFKJLSTFJB-NSHDSACASA-N 0 3 298.733 2.892 20 30 CFEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819316446 633072638 /nfs/dbraw/zinc/07/26/38/633072638.db2.gz REHUDYCMGBPOTD-IWEFOYFVSA-N 0 3 294.354 2.703 20 30 CFEDHN Cc1ccc(C(=O)OC[C@H](C)N2CCCCC2)cc1C#N ZINC000847962413 633169354 /nfs/dbraw/zinc/16/93/54/633169354.db2.gz GENIKFMEHRTZSH-AWEZNQCLSA-N 0 3 286.375 2.898 20 30 CFEDHN Clc1cncc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848404218 633249659 /nfs/dbraw/zinc/24/96/59/633249659.db2.gz HEYBHNIRBKRWJF-LLVKDONJSA-N 0 3 279.775 2.546 20 30 CFEDHN C#C[C@@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000848923720 633406805 /nfs/dbraw/zinc/40/68/05/633406805.db2.gz IXILKBPNTRGOFU-CQSZACIVSA-N 0 3 253.345 2.808 20 30 CFEDHN COc1ccc(N2CC[C@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000850347365 633948414 /nfs/dbraw/zinc/94/84/14/633948414.db2.gz QYWMJIQQKXVXPC-ZDUSSCGKSA-N 0 3 297.358 2.528 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850738063 634068356 /nfs/dbraw/zinc/06/83/56/634068356.db2.gz CXUFYQHOKARDHH-LOWDOPEQSA-N 0 3 279.343 2.796 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850738422 634068950 /nfs/dbraw/zinc/06/89/50/634068950.db2.gz KTLJYLHNJRIYTF-LBPRGKRZSA-N 0 3 279.343 2.940 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)c1 ZINC000850756695 634081396 /nfs/dbraw/zinc/08/13/96/634081396.db2.gz CYPZNXFVQOWYER-AWEZNQCLSA-N 0 3 282.343 2.833 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850759125 634082052 /nfs/dbraw/zinc/08/20/52/634082052.db2.gz GIACESIJFZFWQC-ZDUSSCGKSA-N 0 3 276.311 2.646 20 30 CFEDHN CC([C@@H](OC(=O)[C@H](C)CC#N)c1ccccc1F)[N+](=O)[O-] ZINC000851108868 634226435 /nfs/dbraw/zinc/22/64/35/634226435.db2.gz QLJFZBPHHOMTQZ-GBIKHYSHSA-N 0 3 294.282 2.625 20 30 CFEDHN OC1CCN(c2ccc(C=NOC3CCC3)cc2)CC1 ZINC000853349233 634979696 /nfs/dbraw/zinc/97/96/96/634979696.db2.gz VYWSOGRCXKEDKA-UHFFFAOYSA-N 0 3 274.364 2.551 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853598361 635045991 /nfs/dbraw/zinc/04/59/91/635045991.db2.gz PRQLGVAENWYPEO-DVOMOZLQSA-N 0 3 287.359 2.501 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000853598361 635045996 /nfs/dbraw/zinc/04/59/96/635045996.db2.gz PRQLGVAENWYPEO-DVOMOZLQSA-N 0 3 287.359 2.501 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@](C)(CC)CC1=O ZINC000853598067 635046208 /nfs/dbraw/zinc/04/62/08/635046208.db2.gz JHEQGMILSYFWLD-LZWOXQAQSA-N 0 3 262.397 2.776 20 30 CFEDHN C=CCCCCCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000854066011 635203392 /nfs/dbraw/zinc/20/33/92/635203392.db2.gz YDKVYFCGOYAHLA-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)C#CC(C)C)N(C)C)cc1 ZINC000854305836 635283909 /nfs/dbraw/zinc/28/39/09/635283909.db2.gz VEUDWUJLQZSQIC-KRWDZBQOSA-N 0 3 286.419 2.627 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000855393279 635530152 /nfs/dbraw/zinc/53/01/52/635530152.db2.gz QYKCQHASASSRDL-ZSHCYNCHSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCCOc1ccc(CNCc2cccnc2)cc1 ZINC000113311827 635532047 /nfs/dbraw/zinc/53/20/47/635532047.db2.gz RNRQBXMTDHUZCR-UHFFFAOYSA-N 0 3 266.344 2.774 20 30 CFEDHN Cc1ccc(O[C@H]2CCN(CCC(C)(C)C#N)C2)nc1 ZINC000858040940 636118067 /nfs/dbraw/zinc/11/80/67/636118067.db2.gz GXDFLXCVBPDPES-AWEZNQCLSA-N 0 3 273.380 2.783 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cnc(-c2ccccc2)nc1 ZINC000858333855 636193389 /nfs/dbraw/zinc/19/33/89/636193389.db2.gz OOZRFWPOYZDCLR-KRWDZBQOSA-N 0 3 295.386 2.662 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000858335946 636196941 /nfs/dbraw/zinc/19/69/41/636196941.db2.gz OYYCXKMVIURJLB-CQSZACIVSA-N 0 3 290.363 2.846 20 30 CFEDHN CC[C@@H](C#N)Oc1cccc(CNc2ccnc(CO)c2)c1 ZINC000858412326 636226652 /nfs/dbraw/zinc/22/66/52/636226652.db2.gz VWNLTBJGTBTXRI-INIZCTEOSA-N 0 3 297.358 2.867 20 30 CFEDHN Cc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1C#N ZINC000859108886 636458210 /nfs/dbraw/zinc/45/82/10/636458210.db2.gz MGPOOAOEEZCPCI-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN C=CC[C@@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000859444218 636564698 /nfs/dbraw/zinc/56/46/98/636564698.db2.gz HDGJLECGRRRXGH-BXUZGUMPSA-N 0 3 267.319 2.896 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCCCCCC)C1 ZINC000859443711 636564997 /nfs/dbraw/zinc/56/49/97/636564997.db2.gz QDCYYJRHJPTDHJ-CQSZACIVSA-N 0 3 252.402 2.581 20 30 CFEDHN CN(Cc1ccc(F)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048875351 650281949 /nfs/dbraw/zinc/28/19/49/650281949.db2.gz LHXZYENXYBEHGT-KRWDZBQOSA-N 0 3 284.334 2.863 20 30 CFEDHN C#CC[C@H]1CCN(Cc2c(OC)cc(OC)cc2OC)C1 ZINC000862442985 637382164 /nfs/dbraw/zinc/38/21/64/637382164.db2.gz KAOGTRFPVLCIFE-ZDUSSCGKSA-N 0 3 289.375 2.558 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000862443658 637383490 /nfs/dbraw/zinc/38/34/90/637383490.db2.gz RRMMYKZOEHWVJF-GFCCVEGCSA-N 0 3 291.778 2.956 20 30 CFEDHN C#CC[C@H]1CCN(Cc2nn(CC)c3ccccc23)C1 ZINC000862444622 637385823 /nfs/dbraw/zinc/38/58/23/637385823.db2.gz DIWOGZFGJYOCIY-AWEZNQCLSA-N 0 3 267.376 2.901 20 30 CFEDHN C#CC[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862445033 637385899 /nfs/dbraw/zinc/38/58/99/637385899.db2.gz KACRXTIWZSXHQJ-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862445033 637385904 /nfs/dbraw/zinc/38/59/04/637385904.db2.gz KACRXTIWZSXHQJ-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000862447524 637387197 /nfs/dbraw/zinc/38/71/97/637387197.db2.gz NOTYQDFCWGPQMB-LBPRGKRZSA-N 0 3 277.339 2.688 20 30 CFEDHN C#CC[C@@H](CCOC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000862548111 637420924 /nfs/dbraw/zinc/42/09/24/637420924.db2.gz YAIZAMIDSGIEAR-AWEZNQCLSA-N 0 3 281.783 2.872 20 30 CFEDHN CN1CCC(=NNc2nc(=O)c3ccccc3[nH]2)CC1(C)C ZINC000863101605 637554420 /nfs/dbraw/zinc/55/44/20/637554420.db2.gz ZYPLAQKIVDCXPB-UHFFFAOYSA-N 0 3 299.378 2.608 20 30 CFEDHN CCC(=NNC[C@@H]1CCSC1)c1ccc(N)cc1 ZINC000863111814 637559619 /nfs/dbraw/zinc/55/96/19/637559619.db2.gz HCDPFJZDAARPKD-NSHDSACASA-N 0 3 263.410 2.726 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NNCC(C)(C)O ZINC000863140216 637569391 /nfs/dbraw/zinc/56/93/91/637569391.db2.gz FLOZPCIHNBCXMP-PUZYPLHJSA-N 0 3 287.407 2.644 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1ccc(C)c(C)c1O ZINC000863158816 637573045 /nfs/dbraw/zinc/57/30/45/637573045.db2.gz RZOKUNDMNYLYFF-UHFFFAOYSA-N 0 3 269.348 2.970 20 30 CFEDHN COc1ccc(C(C)=NNc2ccnc(C)c2)cc1OC ZINC000863158407 637573342 /nfs/dbraw/zinc/57/33/42/637573342.db2.gz AJEPJQZDNPKWPE-UHFFFAOYSA-N 0 3 285.347 2.665 20 30 CFEDHN Cc1cc(NN=Cc2cnc(C3CCC3)s2)ccn1 ZINC000863159330 637574376 /nfs/dbraw/zinc/57/43/76/637574376.db2.gz MGZDQLZDHRCZSJ-UHFFFAOYSA-N 0 3 272.377 2.982 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1ccc2c(c1)COC2 ZINC000863159286 637574625 /nfs/dbraw/zinc/57/46/25/637574625.db2.gz KDKGYSHJIBYSLQ-UHFFFAOYSA-N 0 3 267.332 2.678 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccc(F)c(Cl)c1 ZINC000863178924 637579823 /nfs/dbraw/zinc/57/98/23/637579823.db2.gz KQIXSHGGFROLQQ-QMMMGPOBSA-N 0 3 255.724 2.829 20 30 CFEDHN C[C@H]1C[C@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000863452796 637662320 /nfs/dbraw/zinc/66/23/20/637662320.db2.gz VOHJHCLSWFNVDJ-ZFWWWQNUSA-N 0 3 274.364 2.530 20 30 CFEDHN C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(O)cc2C#N)cc1 ZINC000863723382 637759104 /nfs/dbraw/zinc/75/91/04/637759104.db2.gz XVYDTQQAVUZNTB-KPZWWZAWSA-N 0 3 294.354 2.980 20 30 CFEDHN C=CCCCNCc1cccnc1Br ZINC000865547722 638413653 /nfs/dbraw/zinc/41/36/53/638413653.db2.gz JYIQGIWWXAMLMJ-UHFFFAOYSA-N 0 3 255.159 2.900 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCCOCC1CCC1 ZINC000865529633 638400077 /nfs/dbraw/zinc/40/00/77/638400077.db2.gz MXMVRGMXLPIVLM-UHFFFAOYSA-N 0 3 287.407 2.531 20 30 CFEDHN CN(C)CCSc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865603665 638453224 /nfs/dbraw/zinc/45/32/24/638453224.db2.gz JTGHFQDMWAQIES-UHFFFAOYSA-N 0 3 275.299 2.626 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1 ZINC000865775180 638565714 /nfs/dbraw/zinc/56/57/14/638565714.db2.gz MHLIRXIWJFYRID-TXEJJXNPSA-N 0 3 292.404 2.830 20 30 CFEDHN C=CCOCCCC(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867991149 638912603 /nfs/dbraw/zinc/91/26/03/638912603.db2.gz UFJKSVOZHMGCDM-MRXNPFEDSA-N 0 3 288.391 2.794 20 30 CFEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000079852568 650624452 /nfs/dbraw/zinc/62/44/52/650624452.db2.gz NWDYXTJXIJXUKK-MRXNPFEDSA-N 0 3 298.386 2.695 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870908769 641117092 /nfs/dbraw/zinc/11/70/92/641117092.db2.gz XNURXULRIKKWBD-GOSISDBHSA-N 0 3 298.430 2.879 20 30 CFEDHN N#CC(C(=O)C1=CCCCC1)c1nnc2n1CCCCC2 ZINC000123461669 641181188 /nfs/dbraw/zinc/18/11/88/641181188.db2.gz PGLPXKREOGMJPF-ZDUSSCGKSA-N 0 3 284.363 2.681 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193495749 650662472 /nfs/dbraw/zinc/66/24/72/650662472.db2.gz AJJIIKKUTLXPNU-CYBMUJFWSA-N 0 3 298.298 2.558 20 30 CFEDHN C=CCOCCN[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871881145 641497018 /nfs/dbraw/zinc/49/70/18/641497018.db2.gz KHHWTEIDABIMAB-MRXNPFEDSA-N 0 3 290.407 2.529 20 30 CFEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1ccc(C)cc1 ZINC000871890179 641505344 /nfs/dbraw/zinc/50/53/44/641505344.db2.gz RKJARHZMVFHVJZ-IMJJTQAJSA-N 0 3 285.391 2.994 20 30 CFEDHN C=CC(C)(C)CCCN[C@H](C(N)=O)c1ccccc1 ZINC000871929822 641514290 /nfs/dbraw/zinc/51/42/90/641514290.db2.gz BQIHZQQVJPBETI-AWEZNQCLSA-N 0 3 260.381 2.795 20 30 CFEDHN C#CCCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038340 641571796 /nfs/dbraw/zinc/57/17/96/641571796.db2.gz KGYACKPNYDNRBK-JTQLQIEISA-N 0 3 250.273 2.798 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078225 641610376 /nfs/dbraw/zinc/61/03/76/641610376.db2.gz ADGSXYGHLNMQLW-MJVIPROJSA-N 0 3 294.326 2.976 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)C(C)(C)CC)nn1 ZINC000872078976 641611075 /nfs/dbraw/zinc/61/10/75/641611075.db2.gz FMDPXYUWRZAMIZ-ZDUSSCGKSA-N 0 3 250.390 2.769 20 30 CFEDHN Clc1ccccc1C#CCN[C@]12CCC[C@H]1OCC2 ZINC000872315265 641752832 /nfs/dbraw/zinc/75/28/32/641752832.db2.gz QOKTXYTZWWIKJY-CVEARBPZSA-N 0 3 275.779 2.993 20 30 CFEDHN CCCc1ccc(C[C@H](C)C=Nn2cnnc2)cc1 ZINC000872324025 641756098 /nfs/dbraw/zinc/75/60/98/641756098.db2.gz IQFHMGMCDDDLCK-ZDUSSCGKSA-N 0 3 256.353 2.943 20 30 CFEDHN CN1CCC[C@H]2[C@@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780986 641935216 /nfs/dbraw/zinc/93/52/16/641935216.db2.gz OWOPUZYHZZVGAD-GJZGRUSLSA-N 0 3 298.434 2.924 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CCSC1 ZINC000873147743 642030749 /nfs/dbraw/zinc/03/07/49/642030749.db2.gz YRERAMSOVQRBCL-LLVKDONJSA-N 0 3 264.369 2.930 20 30 CFEDHN C=C(Br)CN[C@H]1CC(C)(C)OC1(C)C ZINC000125137428 642465016 /nfs/dbraw/zinc/46/50/16/642465016.db2.gz UEONDFINWHNFNB-VIFPVBQESA-N 0 3 262.191 2.831 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)CCCC1 ZINC000874826716 642512454 /nfs/dbraw/zinc/51/24/54/642512454.db2.gz PKYVKAGBIVICGG-HUUCEWRRSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(Cl)ccc1OC ZINC000876545152 642913504 /nfs/dbraw/zinc/91/35/04/642913504.db2.gz BOTMOQSFFGCIGL-SECBINFHSA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC)cc1 ZINC000876546923 642914960 /nfs/dbraw/zinc/91/49/60/642914960.db2.gz APGJHIRDCXSFMC-GFCCVEGCSA-N 0 3 252.745 2.657 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)cc1C ZINC000876553672 642919492 /nfs/dbraw/zinc/91/94/92/642919492.db2.gz QQQQXDSWQAWXAW-JTQLQIEISA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2sccc2[C@@H]1C ZINC000876567217 642926079 /nfs/dbraw/zinc/92/60/79/642926079.db2.gz FVJUVKZXSCZJAY-GXSJLCMTSA-N 0 3 284.812 2.664 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000876571009 642928375 /nfs/dbraw/zinc/92/83/75/642928375.db2.gz RJJFPGLQGBWHSU-FZMZJTMJSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000876574774 642930304 /nfs/dbraw/zinc/93/03/04/642930304.db2.gz ZOOXLEGCKRXXCB-ZIAGYGMSSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1cccc(C)c1 ZINC000876575390 642930510 /nfs/dbraw/zinc/93/05/10/642930510.db2.gz CSQXKQICXJMHGI-CYBMUJFWSA-N 0 3 266.772 2.818 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1ccc(OC)cc1 ZINC000876580241 642932892 /nfs/dbraw/zinc/93/28/92/642932892.db2.gz SAFKBIIDXZRXBF-ZDUSSCGKSA-N 0 3 282.771 2.518 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000876588226 642934932 /nfs/dbraw/zinc/93/49/32/642934932.db2.gz CSMWAETXSOSFPT-JSGCOSHPSA-N 0 3 280.799 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)cc1OCC ZINC000876589194 642935904 /nfs/dbraw/zinc/93/59/04/642935904.db2.gz KGDNFQHHOHCGJB-JTQLQIEISA-N 0 3 286.734 2.633 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1c(C)cc(C)cc1C ZINC000876592813 642936701 /nfs/dbraw/zinc/93/67/01/642936701.db2.gz HUSJBTKYATZGBB-OAHLLOKOSA-N 0 3 294.826 2.740 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C(C)C)C1CCCC1 ZINC000876595504 642939052 /nfs/dbraw/zinc/93/90/52/642939052.db2.gz BZSHKDPBWFCBQU-LBPRGKRZSA-N 0 3 258.793 2.636 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CCc1cccs1 ZINC000876600403 642941021 /nfs/dbraw/zinc/94/10/21/642941021.db2.gz HXUNTEGWOFZXFY-GFCCVEGCSA-N 0 3 286.828 2.609 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000876603462 642941730 /nfs/dbraw/zinc/94/17/30/642941730.db2.gz SQIRIVDQFSMAQK-GWCFXTLKSA-N 0 3 278.783 2.997 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000876607894 642943006 /nfs/dbraw/zinc/94/30/06/642943006.db2.gz UBIPWJWFEADVDH-JSGCOSHPSA-N 0 3 280.799 2.512 20 30 CFEDHN CCCCCCCCCN(C)C(=O)c1c(CN)cnn1C ZINC000876616618 642946703 /nfs/dbraw/zinc/94/67/03/642946703.db2.gz PPTAFFDUYZJRGR-UHFFFAOYSA-N 0 3 294.443 2.701 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000876617084 642946834 /nfs/dbraw/zinc/94/68/34/642946834.db2.gz ZJHJLVWZPPQLCN-VHSXEESVSA-N 0 3 272.801 2.704 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccccc1C ZINC000876627920 642950408 /nfs/dbraw/zinc/95/04/08/642950408.db2.gz LBIVXNLGJUAUOV-AWEZNQCLSA-N 0 3 294.826 2.859 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000876636691 642952396 /nfs/dbraw/zinc/95/23/96/642952396.db2.gz CSJGIEAVLZFXQC-OLZOCXBDSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)C1CCCCC1 ZINC000876636692 642952563 /nfs/dbraw/zinc/95/25/63/642952563.db2.gz CSJGIEAVLZFXQC-QWHCGFSZSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)CCc1ccccc1 ZINC000876643927 642956443 /nfs/dbraw/zinc/95/64/43/642956443.db2.gz QPALDMMPLIDWLZ-CQSZACIVSA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000876647724 642957390 /nfs/dbraw/zinc/95/73/90/642957390.db2.gz OIOJREITVIRSLT-AVGNSLFASA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C ZINC000876649769 642958087 /nfs/dbraw/zinc/95/80/87/642958087.db2.gz FEFPKUMCJSAQNL-FZMZJTMJSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000876657423 642960987 /nfs/dbraw/zinc/96/09/87/642960987.db2.gz NIZGYUMVWSBBRC-DRZSPHRISA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000876669786 642965406 /nfs/dbraw/zinc/96/54/06/642965406.db2.gz YGMUYPLRWPGRDZ-SNPRPXQTSA-N 0 3 292.810 2.861 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@H](N)CC(=C)Cl ZINC000876670359 642966386 /nfs/dbraw/zinc/96/63/86/642966386.db2.gz JZQSHXSMYHOUSV-GFCCVEGCSA-N 0 3 258.793 2.661 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000876669889 642966390 /nfs/dbraw/zinc/96/63/90/642966390.db2.gz AUJYSPIEYFEPIH-LBPRGKRZSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1cccc(C)c1 ZINC000876673506 642967564 /nfs/dbraw/zinc/96/75/64/642967564.db2.gz 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SXGNRSVCAGNJOE-VXGBXAGGSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000876893444 643054341 /nfs/dbraw/zinc/05/43/41/643054341.db2.gz KZAKTODWEQWZKO-LBPRGKRZSA-N 0 3 296.802 2.715 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C2CC2)cc1 ZINC000876897712 643056645 /nfs/dbraw/zinc/05/66/45/643056645.db2.gz UUQVYSOFNFGNIR-CQSZACIVSA-N 0 3 278.783 2.650 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@H]1CC2CCC1CC2 ZINC000876953142 643077728 /nfs/dbraw/zinc/07/77/28/643077728.db2.gz ZFWMPJQWGWMAKW-MGYRSQIZSA-N 0 3 284.831 2.787 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CC(=C)Cl ZINC000876956851 643080305 /nfs/dbraw/zinc/08/03/05/643080305.db2.gz PDHBBWCCCUYYCM-JHJVBQTASA-N 0 3 270.804 2.707 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CCCC1(C)C ZINC000876987704 643094504 /nfs/dbraw/zinc/09/45/04/643094504.db2.gz GFRJKTPUDDIOJG-RYUDHWBXSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)CCc1ccccc1 ZINC000877003733 643100224 /nfs/dbraw/zinc/10/02/24/643100224.db2.gz AHNMJPXUTYICHR-GJZGRUSLSA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)CCc1ccccc1 ZINC000877003734 643100254 /nfs/dbraw/zinc/10/02/54/643100254.db2.gz AHNMJPXUTYICHR-HUUCEWRRSA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Br)CNC[C@H]1CC1(Cl)Cl ZINC000877020401 643107471 /nfs/dbraw/zinc/10/74/71/643107471.db2.gz RYKNLJCPHUQZHV-ZCFIWIBFSA-N 0 3 258.974 2.678 20 30 CFEDHN N#Cc1cccc(CNCCCSc2nccs2)n1 ZINC000877061471 643128545 /nfs/dbraw/zinc/12/85/45/643128545.db2.gz ITHCCEDWHZHMFN-UHFFFAOYSA-N 0 3 290.417 2.682 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCCSC2)c1 ZINC000877085796 643144900 /nfs/dbraw/zinc/14/49/00/643144900.db2.gz WOGMMUNROJLVQT-NSHDSACASA-N 0 3 267.785 2.592 20 30 CFEDHN C[C@@H](C[C@H]1CCOC1)NCc1cc(C#N)cnc1Cl ZINC000877092821 643149561 /nfs/dbraw/zinc/14/95/61/643149561.db2.gz KMQGMUKGVWBYHN-WDEREUQCSA-N 0 3 279.771 2.511 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877139230 643174294 /nfs/dbraw/zinc/17/42/94/643174294.db2.gz ZUNRPRBYTCWRRL-TVYUQYBPSA-N 0 3 293.798 2.756 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@]12C[C@H]1CCCC2 ZINC000877196143 643199014 /nfs/dbraw/zinc/19/90/14/643199014.db2.gz WQSPQNUSTHHEBR-NMKXLXIOSA-N 0 3 270.804 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(OC)ccc1C1CC1 ZINC000877269407 643216944 /nfs/dbraw/zinc/21/69/44/643216944.db2.gz ICQFYDZAOOGNOD-CYBMUJFWSA-N 0 3 294.782 2.981 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000877303206 643226052 /nfs/dbraw/zinc/22/60/52/643226052.db2.gz DHCYCASAXIIEQT-UHFFFAOYSA-N 0 3 286.419 2.591 20 30 CFEDHN C#CCCCCCCN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000877424116 643265199 /nfs/dbraw/zinc/26/51/99/643265199.db2.gz GIRYIGOOQYGMJG-AWEZNQCLSA-N 0 3 266.429 2.805 20 30 CFEDHN C=CCN(C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000877426478 643266745 /nfs/dbraw/zinc/26/67/45/643266745.db2.gz NFJNJYMPFJNLNG-GFCCVEGCSA-N 0 3 254.374 2.504 20 30 CFEDHN CCC[C@H](NCc1cccc(C#N)n1)[C@@H](O)c1ccccc1 ZINC000877488252 643303121 /nfs/dbraw/zinc/30/31/21/643303121.db2.gz DBRDMEXEVNHXTN-ROUUACIJSA-N 0 3 295.386 2.945 20 30 CFEDHN CC1=CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877496214 643309056 /nfs/dbraw/zinc/30/90/56/643309056.db2.gz OQJPTVKIRIDCKY-UHFFFAOYSA-N 0 3 255.365 2.776 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC2CC(F)(F)C2)c1 ZINC000877544451 643346034 /nfs/dbraw/zinc/34/60/34/643346034.db2.gz XAQCUETVJGXYEQ-UHFFFAOYSA-N 0 3 271.698 2.742 20 30 CFEDHN C#C[C@H](NCCC1CCOCC1)c1ccc(F)cc1 ZINC000877544817 643346671 /nfs/dbraw/zinc/34/66/71/643346671.db2.gz XZPHMOUNUSQDPK-INIZCTEOSA-N 0 3 261.340 2.906 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@H](NCC2(C#N)CCC2)CCO1 ZINC000877595073 643387946 /nfs/dbraw/zinc/38/79/46/643387946.db2.gz QOWHDUJAITVFOS-OLZOCXBDSA-N 0 3 250.386 2.864 20 30 CFEDHN Cc1nc(C)c(CN(C)CCc2cccc(C#N)c2)o1 ZINC000877704137 643470507 /nfs/dbraw/zinc/47/05/07/643470507.db2.gz DNCJIVUPOZNSID-UHFFFAOYSA-N 0 3 269.348 2.838 20 30 CFEDHN CCc1nn(C)cc1CN(C)CCc1cccc(C#N)c1 ZINC000877704522 643470646 /nfs/dbraw/zinc/47/06/46/643470646.db2.gz PVMRIPZXLBGONN-UHFFFAOYSA-N 0 3 282.391 2.529 20 30 CFEDHN C=CC[C@H](C)N(CC)CC(=O)Nc1cccc(OC)c1 ZINC000877946409 643657491 /nfs/dbraw/zinc/65/74/91/643657491.db2.gz XFBWLUGWHJPBMB-ZDUSSCGKSA-N 0 3 276.380 2.920 20 30 CFEDHN C=CC[C@H](C)N1CCCN(CC(F)(F)F)CC1 ZINC000877960044 643664713 /nfs/dbraw/zinc/66/47/13/643664713.db2.gz YSBRBZPXULYHOP-NSHDSACASA-N 0 3 250.308 2.521 20 30 CFEDHN COc1ccc(N2CCCN(CC3(CC#N)CC3)CC2)cc1 ZINC000877984057 643679924 /nfs/dbraw/zinc/67/99/24/643679924.db2.gz XJQAXWHNBCQGRA-UHFFFAOYSA-N 0 3 299.418 2.901 20 30 CFEDHN C=CC[C@H](C)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000878131649 643752230 /nfs/dbraw/zinc/75/22/30/643752230.db2.gz WKJKZVHYDPHBHO-LSDHHAIUSA-N 0 3 259.397 2.725 20 30 CFEDHN C#C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCCO1 ZINC000878454422 643901431 /nfs/dbraw/zinc/90/14/31/643901431.db2.gz XGDHLOGXUIWNSX-XLAORIBOSA-N 0 3 285.387 2.677 20 30 CFEDHN C#CCn1ccc(CN(CC)CC2CC3(CCC3)C2)n1 ZINC000878527301 643928398 /nfs/dbraw/zinc/92/83/98/643928398.db2.gz CDYUVOUBLFEKMC-UHFFFAOYSA-N 0 3 271.408 2.919 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000878751249 644013976 /nfs/dbraw/zinc/01/39/76/644013976.db2.gz VRPLJQUJDFYFJR-YOEHRIQHSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879223122 644179247 /nfs/dbraw/zinc/17/92/47/644179247.db2.gz LZIOSIODNRHNLC-VXGBXAGGSA-N 0 3 254.374 2.550 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)nc1 ZINC000879241620 644187737 /nfs/dbraw/zinc/18/77/37/644187737.db2.gz AMJFHNGUMWKNLH-MSOLQXFVSA-N 0 3 293.370 2.651 20 30 CFEDHN C[C@H](NCCC1(C#N)CCCCC1)c1ccnn1C ZINC000879686554 644380502 /nfs/dbraw/zinc/38/05/02/644380502.db2.gz CZBZUJVNYKRSFN-ZDUSSCGKSA-N 0 3 260.385 2.935 20 30 CFEDHN C=C(CC)CN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080519 644524566 /nfs/dbraw/zinc/52/45/66/644524566.db2.gz XDZYUVBOKVXJFS-OAHLLOKOSA-N 0 3 274.364 2.910 20 30 CFEDHN C=CCN1CCC(Cc2nc(C(=O)OCC)cs2)CC1 ZINC000880264165 644618420 /nfs/dbraw/zinc/61/84/20/644618420.db2.gz PGORNSQHNNEARU-UHFFFAOYSA-N 0 3 294.420 2.760 20 30 CFEDHN C[C@@H]1CC[C@H](CO)N1CC#Cc1cccc(Cl)c1 ZINC000880436072 644704120 /nfs/dbraw/zinc/70/41/20/644704120.db2.gz YVKBVGDNIJHGHG-IUODEOHRSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CCOc1ccccc1CNC[C@](C)(O)c1ccco1 ZINC000304280065 651019048 /nfs/dbraw/zinc/01/90/48/651019048.db2.gz DNPVRRKADUWBIJ-KRWDZBQOSA-N 0 3 287.359 2.842 20 30 CFEDHN C=CCC[C@@H](NCc1cn2ccccc2n1)[C@H]1CCCO1 ZINC000883167215 645635476 /nfs/dbraw/zinc/63/54/76/645635476.db2.gz SNFUGPDVSNKFQT-HZPDHXFCSA-N 0 3 285.391 2.938 20 30 CFEDHN C=CCC[C@@H](NCc1nccn1C)[C@H]1Cc2ccccc2O1 ZINC000883184999 645647113 /nfs/dbraw/zinc/64/71/13/645647113.db2.gz LGGUJOIERIJIQW-NVXWUHKLSA-N 0 3 297.402 2.848 20 30 CFEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cnn(CC)n1 ZINC000883237933 645685871 /nfs/dbraw/zinc/68/58/71/645685871.db2.gz OAFPDBCRLOKTRG-INIZCTEOSA-N 0 3 284.407 2.965 20 30 CFEDHN N#Cc1csc(CNCC[C@H]2CCCC2(F)F)n1 ZINC000883264676 645708680 /nfs/dbraw/zinc/70/86/80/645708680.db2.gz HMTQABKMARSXHY-SECBINFHSA-N 0 3 271.336 2.930 20 30 CFEDHN C#CC1([NH2+]Cc2ccc(OCC)cc2[O-])CCCC1 ZINC000883362610 645769435 /nfs/dbraw/zinc/76/94/35/645769435.db2.gz IRWKZOZZHFYBFX-UHFFFAOYSA-N 0 3 259.349 2.827 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H]1CCc2c1c(F)ccc2F ZINC000883390086 645788158 /nfs/dbraw/zinc/78/81/58/645788158.db2.gz FIEDNJJTMSZFLZ-YGRLFVJLSA-N 0 3 267.319 2.869 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(F)c(F)c(F)c1 ZINC000883400069 645796504 /nfs/dbraw/zinc/79/65/04/645796504.db2.gz CNGNMWAFZOMGRY-JTQLQIEISA-N 0 3 259.271 2.521 20 30 CFEDHN CCN(Cc1ccoc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000305093615 651048521 /nfs/dbraw/zinc/04/85/21/651048521.db2.gz ZIQDCOQNBSXRHT-INIZCTEOSA-N 0 3 270.332 2.707 20 30 CFEDHN Cc1cc(C)c(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c(C)c1 ZINC000884044796 646147013 /nfs/dbraw/zinc/14/70/13/646147013.db2.gz VWRQCNYLCNIKSR-CSLYMUCUSA-N 0 3 297.402 2.690 20 30 CFEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133924770 646256865 /nfs/dbraw/zinc/25/68/65/646256865.db2.gz GZFQHDITMGSPIW-KGLIPLIRSA-N 0 3 280.412 2.635 20 30 CFEDHN CCOCCON=C(C)c1c(C)cc(N)cc1C ZINC000884450325 646364937 /nfs/dbraw/zinc/36/49/37/646364937.db2.gz FHUMNVXUMJBSDG-UHFFFAOYSA-N 0 3 250.342 2.663 20 30 CFEDHN CC(=NNCCc1ccncc1)c1c(C)cc(N)cc1C ZINC000884463087 646371508 /nfs/dbraw/zinc/37/15/08/646371508.db2.gz XEFSVQVFVHMEBJ-UHFFFAOYSA-N 0 3 282.391 2.837 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885937833 646774436 /nfs/dbraw/zinc/77/44/36/646774436.db2.gz LKYRTDRZVJSLCH-IRXDYDNUSA-N 0 3 270.376 2.948 20 30 CFEDHN CCN(Cc1ccoc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885981933 646795056 /nfs/dbraw/zinc/79/50/56/646795056.db2.gz QRBWROXCDCLFIQ-CQSZACIVSA-N 0 3 262.353 2.546 20 30 CFEDHN CC(C)CCN(CCC#N)C[C@H]1C[C@]12CCOC2 ZINC000886030906 646829468 /nfs/dbraw/zinc/82/94/68/646829468.db2.gz XJPIOVNAXGNZKZ-CABCVRRESA-N 0 3 250.386 2.675 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccc[nH]2)CCC1 ZINC000886049470 646842228 /nfs/dbraw/zinc/84/22/28/646842228.db2.gz NAAMAIFTMZHIRM-UKRRQHHQSA-N 0 3 273.380 2.596 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccc[nH]2)CCC1 ZINC000886049471 646842486 /nfs/dbraw/zinc/84/24/86/646842486.db2.gz NAAMAIFTMZHIRM-ZFWWWQNUSA-N 0 3 273.380 2.596 20 30 CFEDHN C#CC[C@@H](NCc1n[nH]c(C)c1C)c1ccccc1 ZINC000886049923 646843248 /nfs/dbraw/zinc/84/32/48/646843248.db2.gz YFMMKPFOBVWGBT-OAHLLOKOSA-N 0 3 253.349 2.881 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2c2cccnc2)CCC1 ZINC000886089948 646862546 /nfs/dbraw/zinc/86/25/46/646862546.db2.gz NHPDUMGQGBRYOK-HOTGVXAUSA-N 0 3 285.391 2.663 20 30 CFEDHN C[C@@H](c1cccnc1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886092532 646863284 /nfs/dbraw/zinc/86/32/84/646863284.db2.gz ZTWJDXJLHYUTCG-DZGCQCFKSA-N 0 3 273.380 2.519 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353410 646983084 /nfs/dbraw/zinc/98/30/84/646983084.db2.gz IPJCEAFHKDZPBU-LSDHHAIUSA-N 0 3 270.376 2.667 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000886355562 646984381 /nfs/dbraw/zinc/98/43/81/646984381.db2.gz KGWUSXOKJHSKDV-CVEARBPZSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000886355841 646984630 /nfs/dbraw/zinc/98/46/30/646984630.db2.gz ONPXMELPWGLIEL-MRXNPFEDSA-N 0 3 296.414 2.523 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000886360706 646987114 /nfs/dbraw/zinc/98/71/14/646987114.db2.gz ZYSDCMWQWMSVBJ-LBPRGKRZSA-N 0 3 298.308 2.868 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000886365195 646988715 /nfs/dbraw/zinc/98/87/15/646988715.db2.gz BUDNVIFGOPIXHI-GFCCVEGCSA-N 0 3 291.778 2.972 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000886545509 647042204 /nfs/dbraw/zinc/04/22/04/647042204.db2.gz MZHOSQMDXGSRFC-MAUKXSAKSA-N 0 3 299.418 2.832 20 30 CFEDHN C#CCN1CCC[C@H](N[C@H](C)c2cccc(F)c2F)C1 ZINC000886661050 647095516 /nfs/dbraw/zinc/09/55/16/647095516.db2.gz LEJPGOLOHWNGFU-OLZOCXBDSA-N 0 3 278.346 2.713 20 30 CFEDHN 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COc1cccc([C@H](CO)N[C@H](C)CC(C)(C)C#N)c1 ZINC000925143829 648115785 /nfs/dbraw/zinc/11/57/85/648115785.db2.gz PSHKLUVLHGHUJK-DOMZBBRYSA-N 0 3 276.380 2.647 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cnn(CC(F)(F)F)c1 ZINC000925282274 648150523 /nfs/dbraw/zinc/15/05/23/648150523.db2.gz FADOGIVEZJMKIN-SNVBAGLBSA-N 0 3 288.317 2.863 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NC[C@@H](O)c1c(F)cccc1F ZINC000925457287 648174484 /nfs/dbraw/zinc/17/44/84/648174484.db2.gz RTXMXXWRFNWENI-ZWNOBZJWSA-N 0 3 282.334 2.916 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cccc2c1OCO2 ZINC000925530575 648202639 /nfs/dbraw/zinc/20/26/39/648202639.db2.gz DZNLOBNKPPGQID-GFCCVEGCSA-N 0 3 263.337 2.659 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2oc(C)nc21 ZINC000926344415 648468354 /nfs/dbraw/zinc/46/83/54/648468354.db2.gz WKGRMJYWCKBZOQ-ZENOOKHLSA-N 0 3 276.380 2.931 20 30 CFEDHN CC(C)n1cc([C@H](C)NCC2CCC(C#N)CC2)nn1 ZINC000926355094 648470407 /nfs/dbraw/zinc/47/04/07/648470407.db2.gz CPOALZUIMIKYTK-HSBZDZAISA-N 0 3 275.400 2.840 20 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CFEDHN C=CCN(Cc1ccccc1)C[C@H]1CCC2(COC2)O1 ZINC000929161706 648992452 /nfs/dbraw/zinc/99/24/52/648992452.db2.gz BOBZDZRSJGYVTG-MRXNPFEDSA-N 0 3 273.376 2.623 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000929366201 649039811 /nfs/dbraw/zinc/03/98/11/649039811.db2.gz YXTRPFHOSRPOKO-OAHLLOKOSA-N 0 3 283.375 2.622 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000929402329 649045290 /nfs/dbraw/zinc/04/52/90/649045290.db2.gz HREDONBIFWDDIO-OAHLLOKOSA-N 0 3 271.364 2.564 20 30 CFEDHN C=CC1CCN(C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000929617789 649079515 /nfs/dbraw/zinc/07/95/15/649079515.db2.gz KJWDMKZBPLLGTR-NWDGAFQWSA-N 0 3 263.303 2.994 20 30 CFEDHN C#CCCCCCCN[C@@](C)(C(N)=O)c1ccccc1 ZINC000929923529 649150913 /nfs/dbraw/zinc/15/09/13/649150913.db2.gz ASMVKASXVOJANS-QGZVFWFLSA-N 0 3 272.392 2.560 20 30 CFEDHN CCSCC[C@H](C)N(C)Cc1cncc(C#N)c1 ZINC000930011683 649166426 /nfs/dbraw/zinc/16/64/26/649166426.db2.gz ZPIHSBKZRDDFPR-LBPRGKRZSA-N 0 3 263.410 2.917 20 30 CFEDHN 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295.427 2.771 20 30 CFEDHN C=CCN(C[C@@H](O)c1cccc(C)c1)[C@@H](C)COC ZINC000930930431 649352387 /nfs/dbraw/zinc/35/23/87/649352387.db2.gz HRRCGKWOICTJCV-GOEBONIOSA-N 0 3 263.381 2.551 20 30 CFEDHN C#CC1(O)CCN(Cc2cccc(C(C)(C)C)c2)CC1 ZINC000931151069 649388051 /nfs/dbraw/zinc/38/80/51/649388051.db2.gz DWSYFTNAUGXJCH-UHFFFAOYSA-N 0 3 271.404 2.944 20 30 CFEDHN C#CCCCCCCN1CCN(CCc2ccncc2)CC1 ZINC000931339025 649412005 /nfs/dbraw/zinc/41/20/05/649412005.db2.gz PLEWVMVUELTUKQ-UHFFFAOYSA-N 0 3 299.462 2.825 20 30 CFEDHN C[C@H]1CN(CC2CCC(C#N)CC2)Cc2c[nH]nc21 ZINC000931464681 649433690 /nfs/dbraw/zinc/43/36/90/649433690.db2.gz BYFPLZMGOQQXPY-HIFPTAJRSA-N 0 3 258.369 2.659 20 30 CFEDHN C[C@@H](CCC#N)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000931491740 649439950 /nfs/dbraw/zinc/43/99/50/649439950.db2.gz SGQWJQVUCZWWAF-XIRDDKMYSA-N 0 3 269.392 2.637 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000931644651 649466905 /nfs/dbraw/zinc/46/69/05/649466905.db2.gz HHXLSMXBLSCEAI-LSDHHAIUSA-N 0 3 285.391 2.534 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1sccc1C#N ZINC000931835500 649497900 /nfs/dbraw/zinc/49/79/00/649497900.db2.gz XUJPOWIQIGOFCY-NSHDSACASA-N 0 3 292.408 2.614 20 30 CFEDHN Cc1nc([C@H]2CCN(Cc3ccc(C#N)cc3C)C2)no1 ZINC000931936898 649516024 /nfs/dbraw/zinc/51/60/24/649516024.db2.gz HUYYQHPWVCOQRT-HNNXBMFYSA-N 0 3 282.347 2.548 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)CC(C)C ZINC000932032701 649526644 /nfs/dbraw/zinc/52/66/44/649526644.db2.gz VDZFHYHBQZEBFL-CQSZACIVSA-N 0 3 254.418 2.635 20 30 CFEDHN CC[C@@H](NCCO[C@H](C)C#N)c1cc(F)ccc1OC ZINC000932468293 649607124 /nfs/dbraw/zinc/60/71/24/649607124.db2.gz HMBHEMHVXXDUIN-BXUZGUMPSA-N 0 3 280.343 2.804 20 30 CFEDHN C#CCC1(NCC(=O)Nc2cc(Cl)ccc2F)CCC1 ZINC000933298658 649685520 /nfs/dbraw/zinc/68/55/20/649685520.db2.gz GETAAHCOTHDESP-UHFFFAOYSA-N 0 3 294.757 2.953 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2cc(F)ccc2F)CCC1 ZINC000933300545 649686325 /nfs/dbraw/zinc/68/63/25/649686325.db2.gz ABBQGJLHXWEYSV-LLVKDONJSA-N 0 3 292.329 2.827 20 30 CFEDHN CN(CCC(C)(C)C#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466441 649694942 /nfs/dbraw/zinc/69/49/42/649694942.db2.gz CNTYKDYCHCJWKS-ZDUSSCGKSA-N 0 3 295.427 2.867 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(CC2CCCCC2)CC1 ZINC000933563241 649701586 /nfs/dbraw/zinc/70/15/86/649701586.db2.gz JYEJNRGQOUCRRO-MRXNPFEDSA-N 0 3 264.413 2.943 20 30 CFEDHN N#Cc1ccc(C2CCN(CCOC(F)F)CC2)cc1 ZINC000933610023 649706184 /nfs/dbraw/zinc/70/61/84/649706184.db2.gz GQBMSGACKOREMZ-UHFFFAOYSA-N 0 3 280.318 2.977 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933658191 649711600 /nfs/dbraw/zinc/71/16/00/649711600.db2.gz YFFZMEFAPXOUPH-CRAIPNDOSA-N 0 3 298.386 2.855 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933674888 649713258 /nfs/dbraw/zinc/71/32/58/649713258.db2.gz DVYODWGMGISXAZ-HUUCEWRRSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933682137 649713800 /nfs/dbraw/zinc/71/38/00/649713800.db2.gz URUCGDJWFWZLKR-HZPDHXFCSA-N 0 3 294.439 2.976 20 30 CFEDHN C#CCCCCCCN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933689907 649714817 /nfs/dbraw/zinc/71/48/17/649714817.db2.gz RMKDEAXWTIKRHR-IRXDYDNUSA-N 0 3 279.424 2.840 20 30 CFEDHN N#Cc1ccc(CN2CCCSC[C@H]2C2CC2)o1 ZINC000933911168 649730963 /nfs/dbraw/zinc/73/09/63/649730963.db2.gz ARIGQVRPIIGHSW-AWEZNQCLSA-N 0 3 262.378 2.869 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@H](CCO)C1CCCC1 ZINC000934010864 649741845 /nfs/dbraw/zinc/74/18/45/649741845.db2.gz HWOHQZHUUFCPLT-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@H](Cc1cccnc1)NCc1ccccc1C#N ZINC000934234487 649764927 /nfs/dbraw/zinc/76/49/27/649764927.db2.gz PIRLYBUURHJFSG-CYBMUJFWSA-N 0 3 251.333 2.674 20 30 CFEDHN C#C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1F ZINC000934511674 649795906 /nfs/dbraw/zinc/79/59/06/649795906.db2.gz SDLGYUMSXRHYCL-CYBMUJFWSA-N 0 3 274.339 2.642 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001007297996 651091360 /nfs/dbraw/zinc/09/13/60/651091360.db2.gz MVPMXXLZNYCBKI-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001006607358 651127061 /nfs/dbraw/zinc/12/70/61/651127061.db2.gz HUOWQSUKXVPQRO-CYBMUJFWSA-N 0 3 276.355 2.596 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007046655 651131402 /nfs/dbraw/zinc/13/14/02/651131402.db2.gz VWUUXPJVXPQOSU-AWEZNQCLSA-N 0 3 276.380 2.667 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001007623698 651137150 /nfs/dbraw/zinc/13/71/50/651137150.db2.gz YNKVMCKLUOPGQL-IAGOWNOFSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009402011 651160207 /nfs/dbraw/zinc/16/02/07/651160207.db2.gz MUGOHRZTAFRTGW-KRWDZBQOSA-N 0 3 284.403 2.521 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001009580419 651161437 /nfs/dbraw/zinc/16/14/37/651161437.db2.gz RRGLALHXJPQYKL-CYBMUJFWSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009661908 651163739 /nfs/dbraw/zinc/16/37/39/651163739.db2.gz QXIPATHHBFNOCH-SFHVURJKSA-N 0 3 296.414 2.782 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001014532921 651187457 /nfs/dbraw/zinc/18/74/57/651187457.db2.gz QJMDYYWZWIANGB-JTQLQIEISA-N 0 3 284.812 2.782 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001014841104 651192889 /nfs/dbraw/zinc/19/28/89/651192889.db2.gz JPZGDFYAWHEKOU-JTQLQIEISA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001014937352 651194033 /nfs/dbraw/zinc/19/40/33/651194033.db2.gz LGSVMOFCHSGFQP-AEFFLSMTSA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014936522 651194215 /nfs/dbraw/zinc/19/42/15/651194215.db2.gz TZROEAIHDHJRIP-SOUVJXGZSA-N 0 3 290.432 2.618 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(CCCC)cc2)C1 ZINC001015181665 651197304 /nfs/dbraw/zinc/19/73/04/651197304.db2.gz YGWJNXXSBIVOGR-GOSISDBHSA-N 0 3 298.430 2.857 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015272055 651198517 /nfs/dbraw/zinc/19/85/17/651198517.db2.gz QUMULSQPHLBRBV-MSOLQXFVSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001015557228 651203973 /nfs/dbraw/zinc/20/39/73/651203973.db2.gz OHVFGMYIYLVDSQ-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015593925 651205239 /nfs/dbraw/zinc/20/52/39/651205239.db2.gz HQNXKOYOSVFLPU-HNNXBMFYSA-N 0 3 289.423 2.758 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015790415 651214393 /nfs/dbraw/zinc/21/43/93/651214393.db2.gz JPZKPGJEGXRZIE-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015815479 651215514 /nfs/dbraw/zinc/21/55/14/651215514.db2.gz XAGZEIUWUKCBIO-INIZCTEOSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015815480 651215645 /nfs/dbraw/zinc/21/56/45/651215645.db2.gz XAGZEIUWUKCBIO-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015901868 651217000 /nfs/dbraw/zinc/21/70/00/651217000.db2.gz 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C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001086192006 782285950 /nfs/dbraw/zinc/28/59/50/782285950.db2.gz KKFZERZKFNRXNY-AYDFFVQHSA-N 0 3 296.842 2.804 20 30 CFEDHN C=CCN(CC)CCNC(=O)CC1=CCCCC1 ZINC001266380693 770051467 /nfs/dbraw/zinc/05/14/67/770051467.db2.gz OKSIGMNGONIKDM-UHFFFAOYSA-N 0 3 250.386 2.501 20 30 CFEDHN C=CCCCCCCCN1CCN(C2COC2)CC1 ZINC001209438491 770091239 /nfs/dbraw/zinc/09/12/39/770091239.db2.gz MFEMDOMWGXBSHE-UHFFFAOYSA-N 0 3 266.429 2.529 20 30 CFEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccc(Cl)nc1 ZINC001266944070 770760108 /nfs/dbraw/zinc/76/01/08/770760108.db2.gz WDFPPNPMHGCPBA-GFCCVEGCSA-N 0 3 295.814 2.686 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034391198 780959615 /nfs/dbraw/zinc/95/96/15/780959615.db2.gz JUPGOAMLCCLBTJ-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN CN(CCNC(=O)C#CC(C)(C)C)CC1=CCCCC1 ZINC001266273002 769856481 /nfs/dbraw/zinc/85/64/81/769856481.db2.gz IMSIWXVEDPNLMZ-UHFFFAOYSA-N 0 3 276.424 2.584 20 30 CFEDHN CN(Cc1cccs1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402130057 769890116 /nfs/dbraw/zinc/89/01/16/769890116.db2.gz HDOOMAYVIVUNSI-OAHLLOKOSA-N 0 3 272.373 2.785 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)CC=C(C)C ZINC001282443426 769952892 /nfs/dbraw/zinc/95/28/92/769952892.db2.gz GWXOIERDHPVMAY-ZDUSSCGKSA-N 0 3 252.402 2.601 20 30 CFEDHN CCc1ccccc1CN1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC001266318831 769956756 /nfs/dbraw/zinc/95/67/56/769956756.db2.gz BFRVNXORUTWORV-SFHVURJKSA-N 0 3 298.430 2.599 20 30 CFEDHN N#Cc1ccc(CCN2CCc3cnccc3C2)cc1 ZINC001208920581 769964222 /nfs/dbraw/zinc/96/42/22/769964222.db2.gz MARSKIKHIIDRTP-UHFFFAOYSA-N 0 3 263.344 2.554 20 30 CFEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2conc2C)C1 ZINC001266338717 769983259 /nfs/dbraw/zinc/98/32/59/769983259.db2.gz BBRFOJVKIJNTFQ-CQSZACIVSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(CCCOC(C)C)C1 ZINC001266341115 769985381 /nfs/dbraw/zinc/98/53/81/769985381.db2.gz ABRBDOPXAGUWSF-NVXWUHKLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CCCOC(C)C)C1 ZINC001266341116 769985537 /nfs/dbraw/zinc/98/55/37/769985537.db2.gz ABRBDOPXAGUWSF-RDJZCZTQSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCN1CCN(c2noc3ccccc32)CC1 ZINC001209157415 770006653 /nfs/dbraw/zinc/00/66/53/770006653.db2.gz VLIBUHMVOIVHLF-UHFFFAOYSA-N 0 3 271.364 2.916 20 30 CFEDHN C=CCN(C)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001266358710 770017617 /nfs/dbraw/zinc/01/76/17/770017617.db2.gz YTZXJQSDCFXZMA-UHFFFAOYSA-N 0 3 274.408 2.733 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)c1cccc(F)c1 ZINC001266359741 770019912 /nfs/dbraw/zinc/01/99/12/770019912.db2.gz DKDKARSJMVDXMH-ZDUSSCGKSA-N 0 3 278.371 2.553 20 30 CFEDHN Cc1nccn1-c1ccccc1CN1CCC(C#N)CC1 ZINC001140022253 770020115 /nfs/dbraw/zinc/02/01/15/770020115.db2.gz CDJLCUXJQZAJKT-UHFFFAOYSA-N 0 3 280.375 2.916 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc2ccccc2n1CC ZINC001266362433 770025137 /nfs/dbraw/zinc/02/51/37/770025137.db2.gz IEYRHFVMHLGJLZ-UHFFFAOYSA-N 0 3 299.418 2.899 20 30 CFEDHN C=CCCC(=O)NCCN(CC)Cc1cccc(C)c1 ZINC001266380805 770052927 /nfs/dbraw/zinc/05/29/27/770052927.db2.gz QKTLXQLEHIEENF-UHFFFAOYSA-N 0 3 274.408 2.899 20 30 CFEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](C)CC)CC1 ZINC001266384697 770056966 /nfs/dbraw/zinc/05/69/66/770056966.db2.gz SBHJDOFIJVCJHL-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC001209430693 770082858 /nfs/dbraw/zinc/08/28/58/770082858.db2.gz BIFSYFAQABHWFF-MRXNPFEDSA-N 0 3 266.429 2.529 20 30 CFEDHN C=CCCCCCCCN1CCC(O)=C(C(=O)OCC)C1 ZINC001209438615 770089642 /nfs/dbraw/zinc/08/96/42/770089642.db2.gz PRICCJGRIOTSRU-HNNXBMFYSA-N 0 3 295.423 2.967 20 30 CFEDHN C=CCCCCCCCN1CCCC[C@H]1C(N)=O ZINC001209439679 770090737 /nfs/dbraw/zinc/09/07/37/770090737.db2.gz VOVZPIGYMKNRFS-AWEZNQCLSA-N 0 3 252.402 2.853 20 30 CFEDHN C=CCCCCCCCN1CCN(CC(C)(C)O)CC1 ZINC001209443572 770092780 /nfs/dbraw/zinc/09/27/80/770092780.db2.gz VRKKWZBZRBYLNB-UHFFFAOYSA-N 0 3 282.472 2.902 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)C[C@@H]1CCCCO1 ZINC001266416720 770111722 /nfs/dbraw/zinc/11/17/22/770111722.db2.gz LIOYSOJWHFTAIE-RDJZCZTQSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN(CC)CCNC(=O)C[C@H](C)c1ccccc1F ZINC001266422482 770120322 /nfs/dbraw/zinc/12/03/22/770120322.db2.gz DMUQTCCNPJTIFP-AWEZNQCLSA-N 0 3 292.398 2.943 20 30 CFEDHN C=C(Cl)CNC1CC(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001100436787 770169478 /nfs/dbraw/zinc/16/94/78/770169478.db2.gz KZYHFESXSBIPMB-DCBWTQNWSA-N 0 3 284.831 2.660 20 30 CFEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001039196155 770300385 /nfs/dbraw/zinc/30/03/85/770300385.db2.gz SKJDBLCWSCYMFY-SJORKVTESA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001039196641 770302503 /nfs/dbraw/zinc/30/25/03/770302503.db2.gz ARFFOBFQFBOARQ-GJZGRUSLSA-N 0 3 292.398 2.586 20 30 CFEDHN CCCO[C@H]1CCN(Cc2ccc(C#N)cc2C)C1 ZINC000706398170 770323187 /nfs/dbraw/zinc/32/31/87/770323187.db2.gz SRABYJPXCQFRED-INIZCTEOSA-N 0 3 258.365 2.868 20 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CFEDHN CCCCCCCCC(=O)Nc1nn(C)c(C)c1CN ZINC000693519207 770767441 /nfs/dbraw/zinc/76/74/41/770767441.db2.gz JFIDMHUFPJHSJB-UHFFFAOYSA-N 0 3 280.416 2.876 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCc1cnccc1C ZINC001266961782 770772042 /nfs/dbraw/zinc/77/20/42/770772042.db2.gz MCIMLCPKWNHGMV-AWEZNQCLSA-N 0 3 289.423 2.587 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1cccnc1C ZINC001266964269 770774245 /nfs/dbraw/zinc/77/42/45/770774245.db2.gz LRGXUNFEVVSTNH-ZFWWWQNUSA-N 0 3 289.423 2.587 20 30 CFEDHN C=C1CCC(C(=O)NC[C@H](C)NC[C@@H](F)CC)CC1 ZINC001266968738 770777748 /nfs/dbraw/zinc/77/77/48/770777748.db2.gz UXTDZWYDRGHCQS-JSGCOSHPSA-N 0 3 270.392 2.575 20 30 CFEDHN C=C1CCC(C(=O)NC[C@@H](C)NC[C@@H](F)CC)CC1 ZINC001266968739 770777921 /nfs/dbraw/zinc/77/79/21/770777921.db2.gz UXTDZWYDRGHCQS-OCCSQVGLSA-N 0 3 270.392 2.575 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001267010645 770805930 /nfs/dbraw/zinc/80/59/30/770805930.db2.gz DVZACOIZBXJADQ-UHFFFAOYSA-N 0 3 286.419 2.669 20 30 CFEDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140546603 770868378 /nfs/dbraw/zinc/86/83/78/770868378.db2.gz NKZAFRPXMPOGFP-UHFFFAOYSA-N 0 3 295.386 2.726 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001267221285 773221340 /nfs/dbraw/zinc/22/13/40/773221340.db2.gz AXEBWGIXFREIJA-SFHVURJKSA-N 0 3 286.419 2.515 20 30 CFEDHN C=CCN(CC)CCNC(=O)C(C)(C)CC(C)C ZINC001267254574 775106876 /nfs/dbraw/zinc/10/68/76/775106876.db2.gz VRYMWTSXBAINLW-UHFFFAOYSA-N 0 3 254.418 2.683 20 30 CFEDHN N#CC1CCN(Cc2cccc3ccncc32)CC1 ZINC001140640544 775097654 /nfs/dbraw/zinc/09/76/54/775097654.db2.gz OUKGWBFWSUCQJR-UHFFFAOYSA-N 0 3 251.333 2.970 20 30 CFEDHN C=CCN(CC)CCNC(=O)CCc1c[nH]c2ccccc12 ZINC001267255444 775108382 /nfs/dbraw/zinc/10/83/82/775108382.db2.gz ZTMHBXTUFRAELZ-UHFFFAOYSA-N 0 3 299.418 2.725 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1cnc(C(C)(C)C)s1 ZINC001267256739 775110160 /nfs/dbraw/zinc/11/01/60/775110160.db2.gz FBRJBHMGZLPDSL-UHFFFAOYSA-N 0 3 295.452 2.678 20 30 CFEDHN N#Cc1cccc(N2CC3(CCN3C3CCCC3)C2)c1 ZINC001276953485 775121451 /nfs/dbraw/zinc/12/14/51/775121451.db2.gz LTDZPTHMDZAKQK-UHFFFAOYSA-N 0 3 267.376 2.765 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001276955426 775125844 /nfs/dbraw/zinc/12/58/44/775125844.db2.gz HOEKULAOIGAROY-GJZGRUSLSA-N 0 3 266.429 2.825 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@H]1c1ccccc1 ZINC001211597212 775166911 /nfs/dbraw/zinc/16/69/11/775166911.db2.gz YOMDHZTXWPGVKC-ZUUPMSEOSA-N 0 3 296.414 2.560 20 30 CFEDHN C=C(C)CN(CCNC(=O)[C@H](C)CCC)C1CC1 ZINC001267323315 775202955 /nfs/dbraw/zinc/20/29/55/775202955.db2.gz WTTJKZAIEZCBDV-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001224632483 775232369 /nfs/dbraw/zinc/23/23/69/775232369.db2.gz GUXTYXNAXYZXFD-OAHLLOKOSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001038287442 775251903 /nfs/dbraw/zinc/25/19/03/775251903.db2.gz MKPMLZQMJPDAGZ-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001224746204 775265132 /nfs/dbraw/zinc/26/51/32/775265132.db2.gz NSPZKSDBNGDOPA-OAHLLOKOSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001224824712 775283162 /nfs/dbraw/zinc/28/31/62/775283162.db2.gz BQIKORPQJQDFCJ-LSDHHAIUSA-N 0 3 292.467 2.766 20 30 CFEDHN CC(C)CCC[C@H](C)CCO[C@@H]1CNC[C@@H]1C#N ZINC001217833884 775309419 /nfs/dbraw/zinc/30/94/19/775309419.db2.gz UEUPLVYTROEISJ-SOUVJXGZSA-N 0 3 252.402 2.967 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)C3CCC3)C[C@@H]21 ZINC001042164739 775362954 /nfs/dbraw/zinc/36/29/54/775362954.db2.gz ITOGCBRYPBSZPU-HOCLYGCPSA-N 0 3 290.451 2.922 20 30 CFEDHN N#Cc1cccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c1 ZINC001225225952 775370332 /nfs/dbraw/zinc/37/03/32/775370332.db2.gz ZLAKLIPYJDNLHG-IYBDPMFKSA-N 0 3 286.375 2.580 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001225276033 775387430 /nfs/dbraw/zinc/38/74/30/775387430.db2.gz ZBRQTPOZBXXGDU-CHWSQXEVSA-N 0 3 270.804 2.722 20 30 CFEDHN C=CCN[C@@H](CNC(=O)c1ccco1)c1ccccc1 ZINC001267516980 775409135 /nfs/dbraw/zinc/40/91/35/775409135.db2.gz IGQUVIILZOKWOE-AWEZNQCLSA-N 0 3 270.332 2.526 20 30 CFEDHN C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001267533056 775432202 /nfs/dbraw/zinc/43/22/02/775432202.db2.gz QYQAPLMZUMMVOL-KFWWJZLASA-N 0 3 282.403 2.766 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2CC=CC2)C1 ZINC001267536905 775441684 /nfs/dbraw/zinc/44/16/84/775441684.db2.gz CEOGSGUJOLUNQG-MRXNPFEDSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCCCC(=O)N(C)C[C@H](C)NCc1cc(C)ns1 ZINC001283665620 775500724 /nfs/dbraw/zinc/50/07/24/775500724.db2.gz XSVBYVFOVRUGOZ-ZDUSSCGKSA-N 0 3 295.452 2.744 20 30 CFEDHN N#CCc1cc(F)cc(-n2nc(CN)c3ccccc32)c1 ZINC001167700428 775533250 /nfs/dbraw/zinc/53/32/50/775533250.db2.gz HTPFFECSTHQXAG-UHFFFAOYSA-N 0 3 280.306 2.689 20 30 CFEDHN C=C(C)CN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(F)F ZINC001025185621 775559065 /nfs/dbraw/zinc/55/90/65/775559065.db2.gz USAPHIDTHXBREB-QWHCGFSZSA-N 0 3 286.366 2.673 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025362288 775622103 /nfs/dbraw/zinc/62/21/03/775622103.db2.gz UNFABGNEFCFPDC-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025389617 775637177 /nfs/dbraw/zinc/63/71/77/775637177.db2.gz YBGHGAZIHXTHIQ-WBVHZDCISA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562405 775697666 /nfs/dbraw/zinc/69/76/66/775697666.db2.gz SGKJNDVYQLZCHI-KBPBESRZSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC001025608383 775707786 /nfs/dbraw/zinc/70/77/86/775707786.db2.gz KRFFLEKJSDXWBF-IAGOWNOFSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC001025608385 775708265 /nfs/dbraw/zinc/70/82/65/775708265.db2.gz KRFFLEKJSDXWBF-SJORKVTESA-N 0 3 298.430 2.767 20 30 CFEDHN CCN1CCC[C@H](Oc2nc(C3CC3)ccc2C#N)C1 ZINC001226263948 775760174 /nfs/dbraw/zinc/76/01/74/775760174.db2.gz ILNNWULBKNYZEN-AWEZNQCLSA-N 0 3 271.364 2.694 20 30 CFEDHN CC(C)=CC(=O)N[C@H](C)CCCNCc1ccccc1C#N ZINC001277115644 775765073 /nfs/dbraw/zinc/76/50/73/775765073.db2.gz WUHJCSJIYWUNIF-OAHLLOKOSA-N 0 3 299.418 2.899 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001267733886 775828214 /nfs/dbraw/zinc/82/82/14/775828214.db2.gz IPCFMMRCBWBIRS-KRWDZBQOSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001267734199 775829054 /nfs/dbraw/zinc/82/90/54/775829054.db2.gz XTFPYZSNFITPSJ-WBVHZDCISA-N 0 3 286.419 2.947 20 30 CFEDHN C=C[C@@]1(C)CC[C@H](Oc2ccnc(N)c2)C(C)(C)O1 ZINC001226654549 775906107 /nfs/dbraw/zinc/90/61/07/775906107.db2.gz ZRRCYDOKKUANMW-WFASDCNBSA-N 0 3 262.353 2.945 20 30 CFEDHN C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccnc(N)c2)O1 ZINC001226657449 775906709 /nfs/dbraw/zinc/90/67/09/775906709.db2.gz PXFSKQDITVUNFY-SWLSCSKDSA-N 0 3 262.353 2.945 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)CCCCCC)C1 ZINC001267776487 775919021 /nfs/dbraw/zinc/91/90/21/775919021.db2.gz BKVMSYKKTCTLEU-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C=C(C)CCC(=O)NC[C@H](CC)NCc1scnc1C ZINC001267808010 775947715 /nfs/dbraw/zinc/94/77/15/775947715.db2.gz JAKLHMOKQSHACG-ZDUSSCGKSA-N 0 3 295.452 2.792 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1ccns1 ZINC001267808204 775948497 /nfs/dbraw/zinc/94/84/97/775948497.db2.gz MZGATOHIRJYSOK-LBPRGKRZSA-N 0 3 295.452 2.730 20 30 CFEDHN CC(C)C(=O)NC1CCC(NCc2ccccc2C#N)CC1 ZINC001026456001 776018932 /nfs/dbraw/zinc/01/89/32/776018932.db2.gz YRPGGBAUIRIHTM-UHFFFAOYSA-N 0 3 299.418 2.731 20 30 CFEDHN C=CCCCCCCCCN1CC[C@H]2C[C@]21C(N)=O ZINC001277169437 776036690 /nfs/dbraw/zinc/03/66/90/776036690.db2.gz CACSVZDFDRYCTA-GOEBONIOSA-N 0 3 264.413 2.853 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC001277183379 776111684 /nfs/dbraw/zinc/11/16/84/776111684.db2.gz OIUUVHOBEUUIAR-QGZVFWFLSA-N 0 3 298.430 2.688 20 30 CFEDHN CN1CC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227164098 776121423 /nfs/dbraw/zinc/12/14/23/776121423.db2.gz IYTRMXSMZGBISO-SNVBAGLBSA-N 0 3 270.254 2.660 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)[C@H](C)CCCC)CC1 ZINC001227191894 776131238 /nfs/dbraw/zinc/13/12/38/776131238.db2.gz IKAVLYLXDBYTPJ-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CN3CCC2CC3)cc1Cl ZINC001227204454 776136270 /nfs/dbraw/zinc/13/62/70/776136270.db2.gz KWMIDJZMILJDBH-CQSZACIVSA-N 0 3 262.740 2.685 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@H]1C(F)(F)F ZINC001112098267 776138703 /nfs/dbraw/zinc/13/87/03/776138703.db2.gz BPYVZRNGZVLRHH-PWGYGRHZSA-N 0 3 290.329 2.508 20 30 CFEDHN CN(Cc1csc(C#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC000893405158 776235983 /nfs/dbraw/zinc/23/59/83/776235983.db2.gz BVLYBYSDSYZRHD-JSGCOSHPSA-N 0 3 264.394 2.603 20 30 CFEDHN C=C(C)CCC(=O)NC1CCN(CCOCC(C)C)CC1 ZINC001227596641 776236614 /nfs/dbraw/zinc/23/66/14/776236614.db2.gz IQZBVMNOTKAJTR-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN CCCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027271626 776274995 /nfs/dbraw/zinc/27/49/95/776274995.db2.gz RTCSGFYAIIHMDF-KRWDZBQOSA-N 0 3 299.418 2.781 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001038731026 776314550 /nfs/dbraw/zinc/31/45/50/776314550.db2.gz BCRULBSRUZPMIP-INIZCTEOSA-N 0 3 290.382 2.904 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001027426387 776317519 /nfs/dbraw/zinc/31/75/19/776317519.db2.gz QZVXCPGDECACFQ-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sccc2Cl)C1 ZINC001027423072 776318538 /nfs/dbraw/zinc/31/85/38/776318538.db2.gz TVIYUUJYNQIFDR-NSHDSACASA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001027444601 776323323 /nfs/dbraw/zinc/32/33/23/776323323.db2.gz VDIXSMAIWDOEQV-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001038748713 776355638 /nfs/dbraw/zinc/35/56/38/776355638.db2.gz HVONMIBJNNZZEW-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)cs2)C1 ZINC001027604559 776377832 /nfs/dbraw/zinc/37/78/32/776377832.db2.gz RVKRURIHSYPOMJ-GFCCVEGCSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC001027660450 776401380 /nfs/dbraw/zinc/40/13/80/776401380.db2.gz NWMDLANTKUYJBB-SFHVURJKSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001027671383 776403822 /nfs/dbraw/zinc/40/38/22/776403822.db2.gz URZBGOWRBJBDBR-SJLPKXTDSA-N 0 3 298.430 2.736 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC001027672719 776405988 /nfs/dbraw/zinc/40/59/88/776405988.db2.gz GUFKIFZOSRTPPG-KRWDZBQOSA-N 0 3 298.430 2.781 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001027691832 776410278 /nfs/dbraw/zinc/41/02/78/776410278.db2.gz VSLLOUNKDHOWCR-GOSISDBHSA-N 0 3 296.414 2.734 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001027749511 776439411 /nfs/dbraw/zinc/43/94/11/776439411.db2.gz XQDRDLZRSRHQDN-AWEZNQCLSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccoc1CC ZINC001027856284 776479407 /nfs/dbraw/zinc/47/94/07/776479407.db2.gz KJTXPCVPXQRMDE-ZDUSSCGKSA-N 0 3 276.380 2.612 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722332955 776479465 /nfs/dbraw/zinc/47/94/65/776479465.db2.gz UZEGBMDXBQZOKC-IRXDYDNUSA-N 0 3 255.361 2.585 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027893739 776496892 /nfs/dbraw/zinc/49/68/92/776496892.db2.gz DVWNJUAOPVUMRN-RRFJBIMHSA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001027909265 776504387 /nfs/dbraw/zinc/50/43/87/776504387.db2.gz NBONDIKMPXFZDP-AWEZNQCLSA-N 0 3 290.432 2.582 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001038818820 776511543 /nfs/dbraw/zinc/51/15/43/776511543.db2.gz PUDUNWMRYPBKPA-CQSZACIVSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1cccnc1 ZINC001268065530 776535422 /nfs/dbraw/zinc/53/54/22/776535422.db2.gz KWRQQYVZCAZYSD-AWEZNQCLSA-N 0 3 289.423 2.620 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001027996114 776546621 /nfs/dbraw/zinc/54/66/21/776546621.db2.gz DQYHIKXZIITIOZ-HNNXBMFYSA-N 0 3 299.418 2.729 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCc1cncs1 ZINC001268081903 776548944 /nfs/dbraw/zinc/54/89/44/776548944.db2.gz SWMLAABLQOVBSU-STQMWFEESA-N 0 3 295.452 2.682 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001028009226 776553399 /nfs/dbraw/zinc/55/33/99/776553399.db2.gz KPAQGSAGKNPXHR-AWEZNQCLSA-N 0 3 290.432 2.582 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001028012480 776556044 /nfs/dbraw/zinc/55/60/44/776556044.db2.gz MSUCEQQUMVDYSO-HNNXBMFYSA-N 0 3 290.407 2.975 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043578 776569169 /nfs/dbraw/zinc/56/91/69/776569169.db2.gz RYSKLGXXRYNVTF-QKPAOTATSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001028087018 776603466 /nfs/dbraw/zinc/60/34/66/776603466.db2.gz JNBHRIAMXDOCAL-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001028091660 776610781 /nfs/dbraw/zinc/61/07/81/776610781.db2.gz ZGYKXZGTTBAKCT-ZDUSSCGKSA-N 0 3 275.396 2.518 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC(CC)CC)C1 ZINC001268112310 776611560 /nfs/dbraw/zinc/61/15/60/776611560.db2.gz NANPHWMZVOVYAL-OAHLLOKOSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001268158261 776660408 /nfs/dbraw/zinc/66/04/08/776660408.db2.gz MGFQJJJDHFOFJP-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001268158261 776660410 /nfs/dbraw/zinc/66/04/10/776660410.db2.gz MGFQJJJDHFOFJP-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C#C[C@H](Oc1ccc2c(c1)CCN(C)C2)c1ccncc1 ZINC001228944087 776666372 /nfs/dbraw/zinc/66/63/72/776666372.db2.gz KYEDNHAEINNLAM-SFHVURJKSA-N 0 3 278.355 2.823 20 30 CFEDHN C/C=C(/C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001268206591 776706414 /nfs/dbraw/zinc/70/64/14/776706414.db2.gz YDDTUUXVMSKDES-UUGSPAKMSA-N 0 3 298.430 2.735 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001268241435 776719011 /nfs/dbraw/zinc/71/90/11/776719011.db2.gz NRORQUPUFFGBRZ-MDZDMXLPSA-N 0 3 298.430 2.589 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1cc(F)ccc1Cl ZINC001268250598 776722020 /nfs/dbraw/zinc/72/20/20/776722020.db2.gz NHSLNDMDUVSUJC-UHFFFAOYSA-N 0 3 296.773 2.506 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028244964 776746946 /nfs/dbraw/zinc/74/69/46/776746946.db2.gz AQRTUSPKURDSRQ-KRWDZBQOSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001028263088 776770465 /nfs/dbraw/zinc/77/04/65/776770465.db2.gz JFMQKMSAZUIBSH-AWEZNQCLSA-N 0 3 290.407 2.921 20 30 CFEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CC1(C)C ZINC001268444302 776809723 /nfs/dbraw/zinc/80/97/23/776809723.db2.gz MVIIWCMHWVQJDQ-MRXNPFEDSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001028304440 776849053 /nfs/dbraw/zinc/84/90/53/776849053.db2.gz XSRBFLSXJLITHI-GOSISDBHSA-N 0 3 298.430 2.946 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307328 776850786 /nfs/dbraw/zinc/85/07/86/776850786.db2.gz GLBFXCHKTOTKAB-OAHLLOKOSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028323865 776856279 /nfs/dbraw/zinc/85/62/79/776856279.db2.gz WGNHZXHFJFCTPN-INIZCTEOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C1O[C@H](C)C(=O)C1Oc1cccc([C@@H](C)N(C)C)c1 ZINC001229627371 776859482 /nfs/dbraw/zinc/85/94/82/776859482.db2.gz PRWZADGYWYDKOC-GHMZBOCLSA-N 0 3 275.348 2.907 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028338932 776862450 /nfs/dbraw/zinc/86/24/50/776862450.db2.gz LAWHMOPVCQKAKZ-SFHVURJKSA-N 0 3 296.414 2.782 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)CC[C@@H](C)CC)CC1 ZINC001229716152 776878797 /nfs/dbraw/zinc/87/87/97/776878797.db2.gz TXUCWHPDWAHHTM-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)CC(C)C)[C@H](OC)C1 ZINC001211784449 776903776 /nfs/dbraw/zinc/90/37/76/776903776.db2.gz XKXYKFACRCIRIC-HZPDHXFCSA-N 0 3 298.471 2.818 20 30 CFEDHN N#CC1(c2ccc(O[C@H]3CN4CCC3CC4)cc2)CC1 ZINC001229945016 776921955 /nfs/dbraw/zinc/92/19/55/776921955.db2.gz SREUZGQIPFDLMB-INIZCTEOSA-N 0 3 268.360 2.715 20 30 CFEDHN Cc1cc(Cl)c(C#N)c(O[C@@H]2CCN(C(C)C)C2)n1 ZINC001230182583 776958139 /nfs/dbraw/zinc/95/81/39/776958139.db2.gz DUFKRELOYPKELF-LLVKDONJSA-N 0 3 279.771 2.777 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)C(C)(CC)CC)CC1 ZINC001230309831 776977225 /nfs/dbraw/zinc/97/72/25/776977225.db2.gz KSGZKLRVAOCIBM-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC001103824969 776986082 /nfs/dbraw/zinc/98/60/82/776986082.db2.gz KXNPGXARHITTQF-DGCLKSJQSA-N 0 3 296.798 2.720 20 30 CFEDHN C#CCNC/C=C/CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001268631153 777002530 /nfs/dbraw/zinc/00/25/30/777002530.db2.gz XCPHGODTRHQKEJ-LFAOLKIESA-N 0 3 284.403 2.709 20 30 CFEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C[C@H](C)C1CC1 ZINC001268673514 777016537 /nfs/dbraw/zinc/01/65/37/777016537.db2.gz HDNMNLIFVVQKLU-JKSUJKDBSA-N 0 3 298.430 2.569 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2cc(F)ccc2C#N)C1 ZINC001230639168 777034588 /nfs/dbraw/zinc/03/45/88/777034588.db2.gz OAWVDOZLCQXMJJ-CQSZACIVSA-N 0 3 262.328 2.949 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)CCCC(C)=O ZINC001230757914 777057789 /nfs/dbraw/zinc/05/77/89/777057789.db2.gz CWZPZIVTCVQHIM-GOEBONIOSA-N 0 3 294.439 2.633 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001268856875 777065947 /nfs/dbraw/zinc/06/59/47/777065947.db2.gz SXMSJFYFQDGDKP-CHWSQXEVSA-N 0 3 296.798 2.574 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001268902523 777071767 /nfs/dbraw/zinc/07/17/67/777071767.db2.gz LQBYLWYMZVOGGK-ZDUSSCGKSA-N 0 3 284.831 2.757 20 30 CFEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC=C)cc1 ZINC001268959555 777079907 /nfs/dbraw/zinc/07/99/07/777079907.db2.gz CXZFXAQHFGZMBJ-ROUUACIJSA-N 0 3 294.398 2.533 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)c1 ZINC001268974628 777081892 /nfs/dbraw/zinc/08/18/92/777081892.db2.gz YOMCFUJDFOXUSR-XIRDDKMYSA-N 0 3 299.418 2.643 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ccon1 ZINC001230889983 777083030 /nfs/dbraw/zinc/08/30/30/777083030.db2.gz OWGWERLVIQUJCW-AWEZNQCLSA-N 0 3 293.411 2.791 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001269005391 777086926 /nfs/dbraw/zinc/08/69/26/777086926.db2.gz OOHAWTGSFLZCDX-KRWDZBQOSA-N 0 3 286.419 2.906 20 30 CFEDHN C=CCCCN1CC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001269042492 777091039 /nfs/dbraw/zinc/09/10/39/777091039.db2.gz YALPOGUDAXAFPW-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001269068770 777095865 /nfs/dbraw/zinc/09/58/65/777095865.db2.gz ABSPNMYMTYTROI-HOTGVXAUSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001277473229 777099381 /nfs/dbraw/zinc/09/93/81/777099381.db2.gz BFJHETYTYBUCBG-GOSISDBHSA-N 0 3 290.451 2.905 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230978622 777107927 /nfs/dbraw/zinc/10/79/27/777107927.db2.gz YZOPHNTWTBVKAU-HZPDHXFCSA-N 0 3 296.455 2.546 20 30 CFEDHN CCC/C=C/CCN1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001269126356 777108502 /nfs/dbraw/zinc/10/85/02/777108502.db2.gz JDMLZGFRCMPYKB-KXPUMZMLSA-N 0 3 290.451 2.973 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)COC(C)C ZINC001231070979 777131614 /nfs/dbraw/zinc/13/16/14/777131614.db2.gz SHEYLTGZKSDEOD-MRXNPFEDSA-N 0 3 298.471 2.915 20 30 CFEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001269215110 777141694 /nfs/dbraw/zinc/14/16/94/777141694.db2.gz NGQCKRCXJYLKRN-JKSUJKDBSA-N 0 3 296.455 2.716 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001269234993 777147573 /nfs/dbraw/zinc/14/75/73/777147573.db2.gz VJBHIRXZMRLXAK-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001269245600 777148702 /nfs/dbraw/zinc/14/87/02/777148702.db2.gz JRPUSVHSSZTLMA-QWHCGFSZSA-N 0 3 288.382 2.777 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)C/C=C(\C)C=C ZINC001269273254 777155188 /nfs/dbraw/zinc/15/51/88/777155188.db2.gz UKUROSSJQOODJJ-UJMHRVFCSA-N 0 3 262.397 2.666 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)C/C=C(/C)C=C ZINC001269273253 777155337 /nfs/dbraw/zinc/15/53/37/777155337.db2.gz UKUROSSJQOODJJ-OWTLUSIOSA-N 0 3 262.397 2.666 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001269278421 777157062 /nfs/dbraw/zinc/15/70/62/777157062.db2.gz IQSVAXPAMQGFJY-UONOGXRCSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCOCC(=O)N(C)C[C@H]1CCN1CCCC(C)(C)C ZINC001231239504 777177333 /nfs/dbraw/zinc/17/73/33/777177333.db2.gz DGBMDIHLNKLVSZ-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001028711931 777183557 /nfs/dbraw/zinc/18/35/57/777183557.db2.gz BDFMYUHPVVTRKE-HNNXBMFYSA-N 0 3 296.414 2.557 20 30 CFEDHN C=CCOC(=O)c1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC001231302059 777187683 /nfs/dbraw/zinc/18/76/83/777187683.db2.gz DEUPEWJBHIVIPS-MRXNPFEDSA-N 0 3 287.359 2.502 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)CC1 ZINC001269544424 777206572 /nfs/dbraw/zinc/20/65/72/777206572.db2.gz GABDORHWJSSZOA-KRWDZBQOSA-N 0 3 288.435 2.775 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001280039624 777234187 /nfs/dbraw/zinc/23/41/87/777234187.db2.gz AJQIHFNLPIINGM-BRADTZPFSA-N 0 3 284.831 2.923 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3cccnc23)C1 ZINC001231490107 777238623 /nfs/dbraw/zinc/23/86/23/777238623.db2.gz MWDIHDVQHDOBOJ-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN C#CC1CCN(Cc2ccc(OC(C)C)nc2)CC1 ZINC001231539377 777257628 /nfs/dbraw/zinc/25/76/28/777257628.db2.gz YQDBSGXJYMYGPI-UHFFFAOYSA-N 0 3 258.365 2.714 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001028882223 777303861 /nfs/dbraw/zinc/30/38/61/777303861.db2.gz FSRLPOMFCVQETH-HNNXBMFYSA-N 0 3 298.430 2.669 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001270231956 777337074 /nfs/dbraw/zinc/33/70/74/777337074.db2.gz OOEXAQLTHVXSQI-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN(C(=O)C/C=C(/C)C=C)C1CCN(CC=C)CC1 ZINC001270331682 777357041 /nfs/dbraw/zinc/35/70/41/777357041.db2.gz LTQMBRMYQMIICO-PXNMLYILSA-N 0 3 286.419 2.621 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1csc(C)n1 ZINC001270478426 777391486 /nfs/dbraw/zinc/39/14/86/777391486.db2.gz QAFOSTMHZKYZEL-NSHDSACASA-N 0 3 295.452 2.506 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@H](C)CC)C1 ZINC001270574995 777412442 /nfs/dbraw/zinc/41/24/42/777412442.db2.gz BXULCCFMCOIXCK-UKRRQHHQSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001270591190 777416585 /nfs/dbraw/zinc/41/65/85/777416585.db2.gz XDQOAIVKDURTFI-GXTWGEPZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001270591191 777416743 /nfs/dbraw/zinc/41/67/43/777416743.db2.gz XDQOAIVKDURTFI-JSGCOSHPSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CC[C@H](C)CC)C1 ZINC001270643242 777437636 /nfs/dbraw/zinc/43/76/36/777437636.db2.gz UCEOCBHZPXRBRD-GDBMZVCRSA-N 0 3 266.429 2.969 20 30 CFEDHN CSc1ccc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001232325982 777522018 /nfs/dbraw/zinc/52/20/18/777522018.db2.gz CXQGSMCKKFORHD-LBPRGKRZSA-N 0 3 292.429 2.578 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@@H](C=C)CC)CC2 ZINC001270857305 777532242 /nfs/dbraw/zinc/53/22/42/777532242.db2.gz HSPGJBNTYBNYNI-INIZCTEOSA-N 0 3 288.435 2.536 20 30 CFEDHN C=CCCC(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001270867517 777551654 /nfs/dbraw/zinc/55/16/54/777551654.db2.gz WHJZSVZIESWWBG-UITAMQMPSA-N 0 3 284.831 2.923 20 30 CFEDHN CN(CCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232475674 777574840 /nfs/dbraw/zinc/57/48/40/777574840.db2.gz RQKQZPYXYUYCNC-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1CC ZINC001087516244 777575493 /nfs/dbraw/zinc/57/54/93/777575493.db2.gz RXWRCLTZVKVLKG-DLBZAZTESA-N 0 3 288.435 2.869 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2cncc3cnccc32)CC1 ZINC001232651237 777630034 /nfs/dbraw/zinc/63/00/34/777630034.db2.gz BNQCEXDTUKCRCC-CYBMUJFWSA-N 0 3 266.348 2.755 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1CC ZINC001087688707 777679564 /nfs/dbraw/zinc/67/95/64/777679564.db2.gz SMEOGXGNGMGYMB-OWCLPIDISA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1CC ZINC001087717414 777686279 /nfs/dbraw/zinc/68/62/79/777686279.db2.gz CQNWBGSRHINNEL-JYYAWHABSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@H]1CC ZINC001087761761 777695696 /nfs/dbraw/zinc/69/56/96/777695696.db2.gz MDPBAIKOSNBXPM-UONOGXRCSA-N 0 3 293.798 2.504 20 30 CFEDHN CN(CCN(C)Cc1cccc(C#N)n1)Cc1ccccc1 ZINC001232926535 777724106 /nfs/dbraw/zinc/72/41/06/777724106.db2.gz RJPJMVVWQXAABB-UHFFFAOYSA-N 0 3 294.402 2.517 20 30 CFEDHN N#Cc1cc(F)ccc1OC1CCN(C2CC2)CC1 ZINC001227025516 777736468 /nfs/dbraw/zinc/73/64/68/777736468.db2.gz OWNNNENCTZYKBN-UHFFFAOYSA-N 0 3 260.312 2.703 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)no1 ZINC001233080290 777788923 /nfs/dbraw/zinc/78/89/23/777788923.db2.gz GMTFHLKQIHZQEC-INIZCTEOSA-N 0 3 296.374 2.938 20 30 CFEDHN Cc1nc([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)no1 ZINC001233080291 777790065 /nfs/dbraw/zinc/79/00/65/777790065.db2.gz GMTFHLKQIHZQEC-MRXNPFEDSA-N 0 3 296.374 2.938 20 30 CFEDHN CC#CCN1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)CC1 ZINC001280383357 777812513 /nfs/dbraw/zinc/81/25/13/777812513.db2.gz UFHXLMDRJIPHHB-INIZCTEOSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(C)CN[C@H](CNC(=O)C1CC1)c1ccccc1CC ZINC001271438234 777851808 /nfs/dbraw/zinc/85/18/08/777851808.db2.gz MYRNJZJJKYYGAR-QGZVFWFLSA-N 0 3 286.419 2.982 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)CCCF ZINC001271567639 777886539 /nfs/dbraw/zinc/88/65/39/777886539.db2.gz ZMXVZGPQIAFUPP-CYBMUJFWSA-N 0 3 290.810 2.849 20 30 CFEDHN CC(C)N1CC[C@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233506423 777974088 /nfs/dbraw/zinc/97/40/88/777974088.db2.gz GZUGTSIKUHHEEB-LBPRGKRZSA-N 0 3 299.296 2.834 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233578979 777997764 /nfs/dbraw/zinc/99/77/64/777997764.db2.gz DGPFANADYMNYRO-YMAMQOFZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673522 778032939 /nfs/dbraw/zinc/03/29/39/778032939.db2.gz FNJDDBIKIMQSEQ-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001088388651 778056547 /nfs/dbraw/zinc/05/65/47/778056547.db2.gz ARWZZFYNHPLCNL-KBPBESRZSA-N 0 3 296.842 2.900 20 30 CFEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000127370001 778113053 /nfs/dbraw/zinc/11/30/53/778113053.db2.gz SVYFGRRQCPPBJR-LBPRGKRZSA-N 0 3 296.436 2.676 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)C1 ZINC001088844390 778119171 /nfs/dbraw/zinc/11/91/71/778119171.db2.gz OXHBBVGPALYTBR-CABCVRRESA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1CC ZINC001233992007 778132031 /nfs/dbraw/zinc/13/20/31/778132031.db2.gz UTWYQFCRYMDUOF-AWEZNQCLSA-N 0 3 290.407 2.955 20 30 CFEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001234162905 778179706 /nfs/dbraw/zinc/17/97/06/778179706.db2.gz WNUPWRDBTYIXDM-KRWDZBQOSA-N 0 3 290.451 2.759 20 30 CFEDHN CC(C)CCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205935 778186178 /nfs/dbraw/zinc/18/61/78/778186178.db2.gz MPLKZHZRCITKDE-HNNXBMFYSA-N 0 3 278.440 2.615 20 30 CFEDHN CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206111 778186311 /nfs/dbraw/zinc/18/63/11/778186311.db2.gz MZYPHCHWHUYBSI-KXPUMZMLSA-N 0 3 290.451 2.925 20 30 CFEDHN CCCCCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215550 778187446 /nfs/dbraw/zinc/18/74/46/778187446.db2.gz MNEUCKRHZDHVMM-HNNXBMFYSA-N 0 3 278.440 2.759 20 30 CFEDHN COc1cc(CN(C)C)cc(F)c1O[C@@H]1CC[C@H](C#N)C1 ZINC001234239892 778192181 /nfs/dbraw/zinc/19/21/81/778192181.db2.gz ZELSMFDPIGWIGA-WCQYABFASA-N 0 3 292.354 2.967 20 30 CFEDHN COc1cc(CN(C)C)cc(F)c1OC1CC(C#N)C1 ZINC001234243835 778192847 /nfs/dbraw/zinc/19/28/47/778192847.db2.gz LZKYBVSJAOOFHC-UHFFFAOYSA-N 0 3 278.327 2.577 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001234553992 778250749 /nfs/dbraw/zinc/25/07/49/778250749.db2.gz CBDBRUQJTDHWTN-ZDUSSCGKSA-N 0 3 284.831 2.708 20 30 CFEDHN C#C[C@@H](Oc1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC001234660292 778280580 /nfs/dbraw/zinc/28/05/80/778280580.db2.gz FVNJZXBBQBTAQE-GOSISDBHSA-N 0 3 286.419 2.865 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C ZINC001088578688 778300338 /nfs/dbraw/zinc/30/03/38/778300338.db2.gz OVEYLPALXZKLDT-BARDWOONSA-N 0 3 278.440 2.824 20 30 CFEDHN C=CC(C)(C)C(=O)N(C)C[C@H](C)NCc1ccccc1F ZINC001277906828 778327733 /nfs/dbraw/zinc/32/77/33/778327733.db2.gz GSFVQARONYYIPH-ZDUSSCGKSA-N 0 3 292.398 2.974 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(OC)c(C(=O)OC)c1 ZINC001234965355 778342788 /nfs/dbraw/zinc/34/27/88/778342788.db2.gz SRBOKJKSMYZLDD-UHFFFAOYSA-N 0 3 277.364 2.880 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001272117176 778357386 /nfs/dbraw/zinc/35/73/86/778357386.db2.gz CFTPQSIZRRAKSM-GJZGRUSLSA-N 0 3 278.440 2.779 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C[C@H](C)CC(C)(C)C ZINC001272117565 778358418 /nfs/dbraw/zinc/35/84/18/778358418.db2.gz IVVVAPIVEKUYMT-HNNXBMFYSA-N 0 3 280.456 2.862 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001272152546 778363617 /nfs/dbraw/zinc/36/36/17/778363617.db2.gz YALYPPOXRXISQJ-UHFFFAOYSA-N 0 3 292.398 2.680 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001272178137 778366922 /nfs/dbraw/zinc/36/69/22/778366922.db2.gz DOTNYDULPIKBGN-UYSNPLJNSA-N 0 3 278.440 2.779 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001272178698 778367520 /nfs/dbraw/zinc/36/75/20/778367520.db2.gz OQHWSDSNFUCUSC-MRXNPFEDSA-N 0 3 264.413 2.699 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656052 778377413 /nfs/dbraw/zinc/37/74/13/778377413.db2.gz CQTOPRPWTQKNMX-PMPSAXMXSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1C ZINC001088659599 778378849 /nfs/dbraw/zinc/37/88/49/778378849.db2.gz YYGLVZJTQZBBHX-ILXRZTDVSA-N 0 3 276.424 2.722 20 30 CFEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000127865216 778412301 /nfs/dbraw/zinc/41/23/01/778412301.db2.gz JOZJFLRMWAOCMI-AWEZNQCLSA-N 0 3 282.299 2.858 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC)CCC1 ZINC001235228725 778422814 /nfs/dbraw/zinc/42/28/14/778422814.db2.gz XDLXNCXTVMLROK-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@H]1C ZINC001088770970 778486174 /nfs/dbraw/zinc/48/61/74/778486174.db2.gz LGEUZZWJMRCZOM-AGIUHOORSA-N 0 3 286.366 2.577 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1C ZINC001088807707 778509644 /nfs/dbraw/zinc/50/96/44/778509644.db2.gz VVWFXRCNXMHKTA-HIFRSBDPSA-N 0 3 289.423 2.907 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000128471719 778526596 /nfs/dbraw/zinc/52/65/96/778526596.db2.gz OGJZSLBJUZPSCN-ZDUSSCGKSA-N 0 3 258.321 2.552 20 30 CFEDHN C#CC1CCN(Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC001235696007 778540490 /nfs/dbraw/zinc/54/04/90/778540490.db2.gz XSIWSDNXMUAFOZ-UHFFFAOYSA-N 0 3 257.312 2.547 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235762312 778553401 /nfs/dbraw/zinc/55/34/01/778553401.db2.gz UIYQRSXQWHEIIK-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076208874 778575696 /nfs/dbraw/zinc/57/56/96/778575696.db2.gz OETBHJIFQMIUBY-SOUVJXGZSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccs3)[C@@H]2C1 ZINC001076233301 778577575 /nfs/dbraw/zinc/57/75/75/778577575.db2.gz YAFZPZDEUPLIHH-MELADBBJSA-N 0 3 290.432 2.570 20 30 CFEDHN N#CC1(CN[C@@H]2CCc3cc(F)ccc3C2)CCC1 ZINC001168398447 778789850 /nfs/dbraw/zinc/78/98/50/778789850.db2.gz SKJJWUGRTBJRIW-OAHLLOKOSA-N 0 3 258.340 2.966 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1C ZINC001088858006 778898539 /nfs/dbraw/zinc/89/85/39/778898539.db2.gz MEBMETFVINRRIT-DOMZBBRYSA-N 0 3 287.407 2.661 20 30 CFEDHN COc1cc(O)c(CN2CCC[C@H](C#N)CC2)cc1OC ZINC001236752263 778928812 /nfs/dbraw/zinc/92/88/12/778928812.db2.gz NQAGPHUQUKCAGD-LBPRGKRZSA-N 0 3 290.363 2.535 20 30 CFEDHN COc1cc(O)c(CN2CCC[C@@H](C#N)CC2)cc1OC ZINC001236752257 778929255 /nfs/dbraw/zinc/92/92/55/778929255.db2.gz NQAGPHUQUKCAGD-GFCCVEGCSA-N 0 3 290.363 2.535 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@H]1C ZINC001088879792 778931919 /nfs/dbraw/zinc/93/19/19/778931919.db2.gz KGUCCYXZWYPWIR-FPCVCCKLSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccncc2Cl)[C@H]1C ZINC001088878352 778932151 /nfs/dbraw/zinc/93/21/51/778932151.db2.gz PQBCVWSSAOQUQM-RISCZKNCSA-N 0 3 293.798 2.504 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@H]1C ZINC001088920456 778949543 /nfs/dbraw/zinc/94/95/43/778949543.db2.gz FTHVRXXKLZFJKB-RISCZKNCSA-N 0 3 293.798 2.504 20 30 CFEDHN N#CCC1CN(Cc2cc3ccccc3cc2O)C1 ZINC001236826091 778954614 /nfs/dbraw/zinc/95/46/14/778954614.db2.gz GMQGIKQJKHTGQY-UHFFFAOYSA-N 0 3 252.317 2.891 20 30 CFEDHN N#CCC1C[NH+](Cc2cc3ccccc3cc2[O-])C1 ZINC001236826091 778954620 /nfs/dbraw/zinc/95/46/20/778954620.db2.gz GMQGIKQJKHTGQY-UHFFFAOYSA-N 0 3 252.317 2.891 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC001088972321 778964148 /nfs/dbraw/zinc/96/41/48/778964148.db2.gz BKXROCFQMBKCFQ-NEPJUHHUSA-N 0 3 286.366 2.577 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001088999739 778971422 /nfs/dbraw/zinc/97/14/22/778971422.db2.gz QKRPVRCQCRIGTM-ZBFHGGJFSA-N 0 3 272.392 2.764 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089071915 778987745 /nfs/dbraw/zinc/98/77/45/778987745.db2.gz AEQTYNBEVLFHTB-MNOVXSKESA-N 0 3 282.384 2.656 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001272330936 779042418 /nfs/dbraw/zinc/04/24/18/779042418.db2.gz ZFTRMCVZXNDTLW-CYBMUJFWSA-N 0 3 284.831 2.757 20 30 CFEDHN CCc1cc(CN2CCNC3=CCCC[C@@H]32)ccc1C#N ZINC001237227625 779055526 /nfs/dbraw/zinc/05/55/26/779055526.db2.gz CISCYWSBOMDUFI-SFHVURJKSA-N 0 3 281.403 2.962 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC001272347305 779059077 /nfs/dbraw/zinc/05/90/77/779059077.db2.gz KQPJEDGVSSVNNN-GFCCVEGCSA-N 0 3 298.839 2.942 20 30 CFEDHN Cn1cc(CN2CC[C@@H]3OCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237473892 779116370 /nfs/dbraw/zinc/11/63/70/779116370.db2.gz YEFYHSNIDJUQSA-KSSFIOAISA-N 0 3 295.386 2.661 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC001121942342 779138574 /nfs/dbraw/zinc/13/85/74/779138574.db2.gz WKDMOVHWZDRJFM-DGCLKSJQSA-N 0 3 296.415 2.633 20 30 CFEDHN C[C@H]1C[C@H](C)CN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606089 779140779 /nfs/dbraw/zinc/14/07/79/779140779.db2.gz ITGHBJZYHZAYRI-STQMWFEESA-N 0 3 268.364 2.684 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046415085 779174330 /nfs/dbraw/zinc/17/43/30/779174330.db2.gz MBZUSRUWZDCGEK-WBVHZDCISA-N 0 3 276.424 2.890 20 30 CFEDHN N#Cc1cc(Cl)cc(CN2CC(N3CCCCC3)C2)c1 ZINC001237752249 779174319 /nfs/dbraw/zinc/17/43/19/779174319.db2.gz UDPYCIHPEZJDHG-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2)CC(C)(C)C1 ZINC001089305066 779184153 /nfs/dbraw/zinc/18/41/53/779184153.db2.gz DQIPSJNMOKYSKK-QGZVFWFLSA-N 0 3 298.430 2.849 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234528102 779242055 /nfs/dbraw/zinc/24/20/55/779242055.db2.gz RYHPLJNIWYHZHR-WBVHZDCISA-N 0 3 276.424 2.842 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1Cl ZINC000130336565 779265985 /nfs/dbraw/zinc/26/59/85/779265985.db2.gz AAXFRZZUJNPZGB-SNVBAGLBSA-N 0 3 294.738 2.652 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(Cl)c(C#N)c1 ZINC001238190284 779275496 /nfs/dbraw/zinc/27/54/96/779275496.db2.gz BEWSWZCYXLIVKU-NWDGAFQWSA-N 0 3 277.799 2.736 20 30 CFEDHN CCN1CCC[C@@H](Oc2c(C)cc(C#N)cc2OC)C1 ZINC001234865366 779276890 /nfs/dbraw/zinc/27/68/90/779276890.db2.gz RRZNIQJGUCBMRD-CQSZACIVSA-N 0 3 274.364 2.738 20 30 CFEDHN COc1cc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)ccc1C#N ZINC001238406903 779307702 /nfs/dbraw/zinc/30/77/02/779307702.db2.gz RTRJUASYUXXZMU-VBNZEHGJSA-N 0 3 286.375 2.566 20 30 CFEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)ncc1Cl ZINC001238418397 779308377 /nfs/dbraw/zinc/30/83/77/779308377.db2.gz HJSLBXWQJYDSDI-CYBMUJFWSA-N 0 3 294.807 2.818 20 30 CFEDHN CCCCCCCCCCCCNS(=O)(=O)CCN ZINC001238454464 779320156 /nfs/dbraw/zinc/32/01/56/779320156.db2.gz ANVGUOWGVDGGNQ-UHFFFAOYSA-N 0 3 292.489 2.785 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001099244831 779341976 /nfs/dbraw/zinc/34/19/76/779341976.db2.gz DVAANLRSVWDTTH-AWEZNQCLSA-N 0 3 296.430 2.919 20 30 CFEDHN CCc1cc(CN2CCC[C@@]3(CCC(=O)O3)C2)ccc1C#N ZINC001238769077 779386335 /nfs/dbraw/zinc/38/63/35/779386335.db2.gz OQEXADBUOOYXJL-GOSISDBHSA-N 0 3 298.386 2.792 20 30 CFEDHN C=C(C)COc1ccccc1CN1CC[C@@H](F)[C@H](N)C1 ZINC001235911537 779406068 /nfs/dbraw/zinc/40/60/68/779406068.db2.gz WBRAYMALEUXHTO-HUUCEWRRSA-N 0 3 278.371 2.513 20 30 CFEDHN CCC(CC)C(=O)C(C#N)c1ncc(F)cc1F ZINC001123383072 779406259 /nfs/dbraw/zinc/40/62/59/779406259.db2.gz YTGDNFWDWRZHJX-SNVBAGLBSA-N 0 3 252.264 2.972 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CC(=C)C2)CC(C)(C)C1 ZINC001089486412 779494961 /nfs/dbraw/zinc/49/49/61/779494961.db2.gz YFCQBXXSAJDUGO-HNNXBMFYSA-N 0 3 288.435 2.583 20 30 CFEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1coc(C)n1 ZINC001272670251 779517264 /nfs/dbraw/zinc/51/72/64/779517264.db2.gz NOQQQAHRUOIVDB-UHFFFAOYSA-N 0 3 299.374 2.531 20 30 CFEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)C#CC1CC1 ZINC001272670402 779519393 /nfs/dbraw/zinc/51/93/93/779519393.db2.gz QNUBPLAUSZXTFV-UHFFFAOYSA-N 0 3 296.414 2.724 20 30 CFEDHN CCCCCCCOC(=O)N1CCN[C@@H](CC)C1 ZINC001239333756 779524385 /nfs/dbraw/zinc/52/43/85/779524385.db2.gz UTXUCURGYVFTHP-ZDUSSCGKSA-N 0 3 256.390 2.777 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)/C(C)=C/CC ZINC001272673984 779536148 /nfs/dbraw/zinc/53/61/48/779536148.db2.gz YQESVCDSVIIDJU-GCZGVDRJSA-N 0 3 258.793 2.580 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683610 779565680 /nfs/dbraw/zinc/56/56/80/779565680.db2.gz BCSGKIDNEKNYJB-ZNMIVQPWSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN(C)Cc1ccccc1CNC(=O)C(C)(C)C ZINC001272684375 779607319 /nfs/dbraw/zinc/60/73/19/779607319.db2.gz UWDAJBSJGOBLDS-UHFFFAOYSA-N 0 3 274.408 2.967 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1 ZINC001272700736 779660480 /nfs/dbraw/zinc/66/04/80/779660480.db2.gz MQACPEMJOSGYKT-YOEHRIQHSA-N 0 3 296.414 2.777 20 30 CFEDHN C=CCCC(=O)NCCN[C@H]1CCc2c1cc(F)cc2F ZINC001124636300 779697902 /nfs/dbraw/zinc/69/79/02/779697902.db2.gz LXWDSKGJSHAPAZ-HNNXBMFYSA-N 0 3 294.345 2.624 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001032206767 779764608 /nfs/dbraw/zinc/76/46/08/779764608.db2.gz INDWTISNWMKBDX-UHFFFAOYSA-N 0 3 298.386 2.979 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCC1 ZINC001032259764 779796955 /nfs/dbraw/zinc/79/69/55/779796955.db2.gz YLHJCRSFUXZRLJ-HOTGVXAUSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107524259 779855705 /nfs/dbraw/zinc/85/57/05/779855705.db2.gz 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/nfs/dbraw/zinc/00/73/49/780007349.db2.gz CXHYQTIUOHQUJS-HIFRSBDPSA-N 0 3 284.831 2.970 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cncc1C ZINC001032519052 780008896 /nfs/dbraw/zinc/00/88/96/780008896.db2.gz MXUNFDPBUFMYHO-HOTGVXAUSA-N 0 3 299.418 2.563 20 30 CFEDHN C#CCN1CCC2(CN(C(=O)[C@H](C)C(CC)CC)C2)CC1 ZINC001272805737 780011851 /nfs/dbraw/zinc/01/18/51/780011851.db2.gz VQQPLNYPYNNXTJ-OAHLLOKOSA-N 0 3 290.451 2.616 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](C)CC ZINC001032557548 780030577 /nfs/dbraw/zinc/03/05/77/780030577.db2.gz METIQXRJEPFDAH-KKUMJFAQSA-N 0 3 278.440 2.920 20 30 CFEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)CC1 ZINC001032606321 780068064 /nfs/dbraw/zinc/06/80/64/780068064.db2.gz SBNHXCPCAVCYKR-IRXDYDNUSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032607502 780070073 /nfs/dbraw/zinc/07/00/73/780070073.db2.gz VTYYABVVSGSLEW-YQQAZPJKSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC001032624086 780080003 /nfs/dbraw/zinc/08/00/03/780080003.db2.gz XYLQAFFCHAXHTC-IHRRRGAJSA-N 0 3 298.377 2.673 20 30 CFEDHN N#Cc1cc(-c2cccc(/C=N/[O-])c2)cc(C2C[NH2+]C2)c1 ZINC001240351379 780103326 /nfs/dbraw/zinc/10/33/26/780103326.db2.gz TTYWZVPBDXKMRT-AWQFTUOYSA-N 0 3 277.327 2.720 20 30 CFEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049655385 780195021 /nfs/dbraw/zinc/19/50/21/780195021.db2.gz PIZMGTXFZPJNOY-LSDHHAIUSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769755 780225755 /nfs/dbraw/zinc/22/57/55/780225755.db2.gz PZWLMPCJGABHGX-RRFJBIMHSA-N 0 3 264.413 2.530 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CCCC2)C12CCC2 ZINC001078527426 780267033 /nfs/dbraw/zinc/26/70/33/780267033.db2.gz XWHVWLQESCEHEG-KGLIPLIRSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CC=CC2)C12CCC2 ZINC001078584165 780279504 /nfs/dbraw/zinc/27/95/04/780279504.db2.gz 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/nfs/dbraw/zinc/62/98/41/780629841.db2.gz UVZHFBZBHOQILB-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C(C)C)no2)C1 ZINC001033475580 780694139 /nfs/dbraw/zinc/69/41/39/780694139.db2.gz SQWYACHVCFLDJC-CYBMUJFWSA-N 0 3 291.395 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737396 780769393 /nfs/dbraw/zinc/76/93/93/780769393.db2.gz OHCYDENPNUCYBO-QGZVFWFLSA-N 0 3 284.403 2.555 20 30 CFEDHN CN1CC=C(c2ccc(C3(C#N)CCOCC3)cc2)CC1 ZINC001241320215 780779992 /nfs/dbraw/zinc/77/99/92/780779992.db2.gz XDYPQERZJDRAEN-UHFFFAOYSA-N 0 3 282.387 2.977 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2sccc2F)CC1 ZINC001005347342 780784396 /nfs/dbraw/zinc/78/43/96/780784396.db2.gz CBSDDMSFZJYVJL-UHFFFAOYSA-N 0 3 296.411 3.000 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001033786320 780785854 /nfs/dbraw/zinc/78/58/54/780785854.db2.gz MJEUNVBSQRCSNB-NCOADZHNSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033823875 780796249 /nfs/dbraw/zinc/79/62/49/780796249.db2.gz KOAPMLNZRLFSTI-CQSZACIVSA-N 0 3 289.423 2.690 20 30 CFEDHN CC1(C#N)CCN(CCOC2CCCCC2)CC1 ZINC000701400773 780805761 /nfs/dbraw/zinc/80/57/61/780805761.db2.gz ZIVQEAHZDSQMKT-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2ccns2)C1 ZINC001033847240 780807339 /nfs/dbraw/zinc/80/73/39/780807339.db2.gz VSIZYIGSMSBBLH-CYBMUJFWSA-N 0 3 293.436 2.646 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989897 780850567 /nfs/dbraw/zinc/85/05/67/780850567.db2.gz PXRVPEZBEGLGBP-HNNXBMFYSA-N 0 3 290.432 2.616 20 30 CFEDHN COc1cc(C#N)ccc1-c1ccc2nc(N)[nH]c2c1 ZINC001241403156 780852508 /nfs/dbraw/zinc/85/25/08/780852508.db2.gz KPASUOKZBAXDRK-UHFFFAOYSA-N 0 3 264.288 2.692 20 30 CFEDHN COc1cc(C#N)ccc1-c1ccc2[nH]c(N)nc2c1 ZINC001241403156 780852516 /nfs/dbraw/zinc/85/25/16/780852516.db2.gz KPASUOKZBAXDRK-UHFFFAOYSA-N 0 3 264.288 2.692 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041114 780865204 /nfs/dbraw/zinc/86/52/04/780865204.db2.gz CCWBLHXJCPGDDS-QGZVFWFLSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034153091 780909658 /nfs/dbraw/zinc/90/96/58/780909658.db2.gz ZXKXWGVUPYIPHR-WCVJEAGWSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034202859 780919695 /nfs/dbraw/zinc/91/96/95/780919695.db2.gz CDNMGAVPSVHSEZ-HNNXBMFYSA-N 0 3 262.397 2.644 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001034231159 780927551 /nfs/dbraw/zinc/92/75/51/780927551.db2.gz LHRXLQJQLXCHHW-GFCCVEGCSA-N 0 3 287.363 2.531 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034246893 780928800 /nfs/dbraw/zinc/92/88/00/780928800.db2.gz HOPQBJCIYIQWNX-ZDUSSCGKSA-N 0 3 294.345 2.735 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034238495 780931103 /nfs/dbraw/zinc/93/11/03/780931103.db2.gz IYXZDXUKFCSPQV-AWEZNQCLSA-N 0 3 287.407 2.662 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034296869 780940970 /nfs/dbraw/zinc/94/09/70/780940970.db2.gz OMOXIYRUNDDXFB-MRXNPFEDSA-N 0 3 299.418 2.729 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034352938 780955762 /nfs/dbraw/zinc/95/57/62/780955762.db2.gz FKQPCRQZAOHAQU-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC001034438296 780975931 /nfs/dbraw/zinc/97/59/31/780975931.db2.gz LWIUDXYEHJEJHS-OAHLLOKOSA-N 0 3 292.448 2.756 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001034452199 780977488 /nfs/dbraw/zinc/97/74/88/780977488.db2.gz BDENKOHXRFYGEH-INIZCTEOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034483993 780985520 /nfs/dbraw/zinc/98/55/20/780985520.db2.gz PMHANLUYMKUBED-INIZCTEOSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034504960 780988582 /nfs/dbraw/zinc/98/85/82/780988582.db2.gz BJUQLHQVUFVEQB-MRXNPFEDSA-N 0 3 272.392 2.765 20 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2.779 20 30 CFEDHN CCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001035879433 781179293 /nfs/dbraw/zinc/17/92/93/781179293.db2.gz HLRUPEOXAHYVFL-WMLDXEAASA-N 0 3 299.418 2.685 20 30 CFEDHN COc1cccc(-c2cncc(CN(C)C)c2)c1C#N ZINC001242301410 781382860 /nfs/dbraw/zinc/38/28/60/781382860.db2.gz MDVVHQRRCDFINB-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN CC1(C)CC[C@@H](CNCc2ccc(C#N)cc2F)OC1 ZINC000711330176 781412475 /nfs/dbraw/zinc/41/24/75/781412475.db2.gz DZIRWCNNIIWWDR-AWEZNQCLSA-N 0 3 276.355 2.992 20 30 CFEDHN Cc1cc(C#N)ccc1-c1cnccc1N1CCOCC1 ZINC001242474509 781529090 /nfs/dbraw/zinc/52/90/90/781529090.db2.gz WKWDMPIUHOSWGU-UHFFFAOYSA-N 0 3 279.343 2.765 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001079756870 781618741 /nfs/dbraw/zinc/61/87/41/781618741.db2.gz YPNUMPCRAHUJNH-BFYDXBDKSA-N 0 3 276.424 2.745 20 30 CFEDHN Cc1ccc(-c2cccc(CN(C)C)n2)c(C#N)c1 ZINC001242591035 781624300 /nfs/dbraw/zinc/62/43/00/781624300.db2.gz HIRIAWGRPKLULR-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080177465 781637983 /nfs/dbraw/zinc/63/79/83/781637983.db2.gz MTUYOVQDIFGBQU-NQNKBUKLSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080286674 781649265 /nfs/dbraw/zinc/64/92/65/781649265.db2.gz TYIQSHJJKBORFQ-QLFBSQMISA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001080349300 781654092 /nfs/dbraw/zinc/65/40/92/781654092.db2.gz MRIBXTOTHWIGFC-BXUZGUMPSA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001080373214 781658433 /nfs/dbraw/zinc/65/84/33/781658433.db2.gz DXIKFFFIAXECQZ-NVXWUHKLSA-N 0 3 286.419 2.550 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001080891556 781682873 /nfs/dbraw/zinc/68/28/73/781682873.db2.gz RGIURDXQYDGPHY-RDTXWAMCSA-N 0 3 298.430 2.802 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001080882316 781683033 /nfs/dbraw/zinc/68/30/33/781683033.db2.gz VSHCULHCECILQM-GDBMZVCRSA-N 0 3 272.392 2.540 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001273212792 781765685 /nfs/dbraw/zinc/76/56/85/781765685.db2.gz SZRFKSHGUSMTET-PEZGRIKUSA-N 0 3 296.842 2.515 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084780813 781835162 /nfs/dbraw/zinc/83/51/62/781835162.db2.gz VVYQFGRBOZJXFD-CGTJXYLNSA-N 0 3 298.430 2.899 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)[C@@H]2C1 ZINC001084855559 781846829 /nfs/dbraw/zinc/84/68/29/781846829.db2.gz YNIKWHXWHAOWAR-FVQBIDKESA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCOCC ZINC001098933188 781874098 /nfs/dbraw/zinc/87/40/98/781874098.db2.gz UBEVJZWRMSEYHD-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC34CCCC4)C[C@@H]21 ZINC001085067628 781895790 /nfs/dbraw/zinc/89/57/90/781895790.db2.gz HDWVLAFBGJMCQN-OAGGEKHMSA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231095110 781908510 /nfs/dbraw/zinc/90/85/10/781908510.db2.gz NIQGFLMLIFPFKE-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@]2(C)CCOC2)cc1 ZINC000594505244 349433818 /nfs/dbraw/zinc/43/38/18/349433818.db2.gz RJXQCKWQQRYYSO-INIZCTEOSA-N 0 3 258.365 2.756 20 30 CFEDHN CCOC[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517135 349439249 /nfs/dbraw/zinc/43/92/49/349439249.db2.gz VNXWJDMYWFFIAI-ZDUSSCGKSA-N 0 3 258.365 2.952 20 30 CFEDHN Cc1cnc(CCNCc2ccc(C#N)s2)c(C)c1 ZINC000594522385 349440809 /nfs/dbraw/zinc/44/08/09/349440809.db2.gz RCNCCLZTUQSEOU-UHFFFAOYSA-N 0 3 271.389 2.964 20 30 CFEDHN Cc1ccnc(N[C@@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594601239 349457755 /nfs/dbraw/zinc/45/77/55/349457755.db2.gz MUNCNPNPYHCVNH-CABCVRRESA-N 0 3 270.380 2.691 20 30 CFEDHN Cc1cc(C#N)cc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594605605 349459985 /nfs/dbraw/zinc/45/99/85/349459985.db2.gz CBDYOEOKBZXKQK-QGZVFWFLSA-N 0 3 285.391 2.532 20 30 CFEDHN C=CC[C@@H](CC)NCc1cc(C(=O)OC)oc1C ZINC000594607301 349460863 /nfs/dbraw/zinc/46/08/63/349460863.db2.gz RTERHGFVRGEQKU-GFCCVEGCSA-N 0 3 251.326 2.819 20 30 CFEDHN COC(=O)c1cc(CNCC2CCC(C#N)CC2)c(C)o1 ZINC000594607784 349461508 /nfs/dbraw/zinc/46/15/08/349461508.db2.gz ZOEBAIYHORSFPM-UHFFFAOYSA-N 0 3 290.363 2.794 20 30 CFEDHN N#CCc1ccc(NC2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000594611348 349463356 /nfs/dbraw/zinc/46/33/56/349463356.db2.gz ITNHXQOHIZKAAS-SFHVURJKSA-N 0 3 299.418 2.808 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000594615320 349465091 /nfs/dbraw/zinc/46/50/91/349465091.db2.gz SHNLINRYCYOVPR-HNNXBMFYSA-N 0 3 284.403 2.956 20 30 CFEDHN N#Cc1cccc(-n2cc(CNC3CCCCC3)nn2)c1 ZINC000594650817 349468240 /nfs/dbraw/zinc/46/82/40/349468240.db2.gz DWCKPEKYNTUNTC-UHFFFAOYSA-N 0 3 281.363 2.561 20 30 CFEDHN C[C@H]1C[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000594708616 349477849 /nfs/dbraw/zinc/47/78/49/349477849.db2.gz ACUYWASBGLQGKV-SHFYGJNESA-N 0 3 299.418 2.747 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594927099 349512219 /nfs/dbraw/zinc/51/22/19/349512219.db2.gz UQPPXVFNFJWFFF-VHDGCEQUSA-N 0 3 289.375 2.539 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCc2ccc(Br)cc21 ZINC000289971637 197547028 /nfs/dbraw/zinc/54/70/28/197547028.db2.gz XMOIJRYHLPFFPR-DGCLKSJQSA-N 0 3 282.181 2.573 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@@H]2C[C@@H]2C(=O)OC)cc1 ZINC000594940117 349520084 /nfs/dbraw/zinc/52/00/84/349520084.db2.gz HMFNVCWNBVOJLD-KCXAZCMYSA-N 0 3 289.375 2.539 20 30 CFEDHN COCc1csc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000594948286 349524512 /nfs/dbraw/zinc/52/45/12/349524512.db2.gz YPOOGHJVWHAOQW-ZYHUDNBSSA-N 0 3 250.367 2.676 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1ccc(C#N)c(F)c1 ZINC000594956548 349527883 /nfs/dbraw/zinc/52/78/83/349527883.db2.gz LDIXPWCUZPAKQW-OAHLLOKOSA-N 0 3 276.355 2.992 20 30 CFEDHN COc1ccnc(CNCC(C)(C)CCC#N)c1F ZINC000594978665 349537125 /nfs/dbraw/zinc/53/71/25/349537125.db2.gz VAVGINPYFSILLF-UHFFFAOYSA-N 0 3 265.332 2.649 20 30 CFEDHN C[C@@H]1CCC[C@H](CNCc2cc(C#N)cs2)O1 ZINC000594986020 349539076 /nfs/dbraw/zinc/53/90/76/349539076.db2.gz RPWWLOCXBJLAEC-ZYHUDNBSSA-N 0 3 250.367 2.667 20 30 CFEDHN CO[C@@H](CNCc1cccc(C#N)c1)C1CCCC1 ZINC000594994681 349542202 /nfs/dbraw/zinc/54/22/02/349542202.db2.gz NFIPDHAYDFXVJS-INIZCTEOSA-N 0 3 258.365 2.853 20 30 CFEDHN CC1(C)C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CO1 ZINC000595049816 349565095 /nfs/dbraw/zinc/56/50/95/349565095.db2.gz PAMVFMASHXGUSO-UKRRQHHQSA-N 0 3 256.349 2.703 20 30 CFEDHN C=CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595057134 349568698 /nfs/dbraw/zinc/56/86/98/349568698.db2.gz AOMXPGYBAGSBOR-SNVBAGLBSA-N 0 3 250.298 2.830 20 30 CFEDHN CN1c2ccccc2C[C@H](NC2CCC(C)(C#N)CC2)C1=O ZINC000595058342 349569313 /nfs/dbraw/zinc/56/93/13/349569313.db2.gz ABPNDBKNTIPKDN-CSLYMUCUSA-N 0 3 297.402 2.636 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2COc3cc(F)ccc3C2)C1 ZINC000595078795 349576706 /nfs/dbraw/zinc/57/67/06/349576706.db2.gz BENWIGRBPSVMOW-BYCMXARLSA-N 0 3 274.339 2.801 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)c(F)c1 ZINC000595090879 349578635 /nfs/dbraw/zinc/57/86/35/349578635.db2.gz PEKOZFKLVOYQRH-NZVBXONLSA-N 0 3 274.339 2.651 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@@H]1NCC1(C#N)CCCCC1 ZINC000595091062 349578785 /nfs/dbraw/zinc/57/87/85/349578785.db2.gz MVEMBKMZSUKEMW-ZFWWWQNUSA-N 0 3 261.413 2.533 20 30 CFEDHN Cn1ncc(C2CCC2)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000595099138 349581493 /nfs/dbraw/zinc/58/14/93/349581493.db2.gz RQKTVQROUJHKIN-GXTWGEPZSA-N 0 3 272.396 2.860 20 30 CFEDHN C[C@H](O)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000595104226 349582456 /nfs/dbraw/zinc/58/24/56/349582456.db2.gz QYVQYMJKIHNQJK-SDADXPQNSA-N 0 3 258.365 2.780 20 30 CFEDHN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000125309756 187178941 /nfs/dbraw/zinc/17/89/41/187178941.db2.gz RWGWPGYSZUOULX-QWHCGFSZSA-N 0 3 271.364 2.617 20 30 CFEDHN CCCCC[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000595258284 349588438 /nfs/dbraw/zinc/58/84/38/349588438.db2.gz BHIGSUIDJFYCBQ-HUUCEWRRSA-N 0 3 279.428 2.969 20 30 CFEDHN N#CC1(CNC(=O)[C@@H](N)CC2CCCCC2)CCCCC1 ZINC000595258730 349588980 /nfs/dbraw/zinc/58/89/80/349588980.db2.gz RWZWGSXDBMEVIH-HNNXBMFYSA-N 0 3 291.439 2.874 20 30 CFEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)S1 ZINC000595328214 349601984 /nfs/dbraw/zinc/60/19/84/349601984.db2.gz XFEFDBKBRYFJGI-STQMWFEESA-N 0 3 260.406 2.927 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H](C)S1 ZINC000595328212 349602590 /nfs/dbraw/zinc/60/25/90/349602590.db2.gz XFEFDBKBRYFJGI-BETUJISGSA-N 0 3 260.406 2.927 20 30 CFEDHN N#Cc1ccc(CCN2CCC(OCC3CC3)CC2)cc1 ZINC000595332163 349603222 /nfs/dbraw/zinc/60/32/22/349603222.db2.gz COQKEGUCSNKKHH-UHFFFAOYSA-N 0 3 284.403 2.992 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN(CCN(CCC#N)Cc2ccco2)C1 ZINC000595334514 349604156 /nfs/dbraw/zinc/60/41/56/349604156.db2.gz RNCXVJROHGFOQM-HZPDHXFCSA-N 0 3 289.423 2.973 20 30 CFEDHN COc1ccc(CN(C)CCc2ccc(C#N)cc2)cc1O ZINC000595339424 349605079 /nfs/dbraw/zinc/60/50/79/349605079.db2.gz OLWRWRSGYGHSKF-UHFFFAOYSA-N 0 3 296.370 2.947 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595396705 349616434 /nfs/dbraw/zinc/61/64/34/349616434.db2.gz FCMPIMFQVDXJPX-NCOADZHNSA-N 0 3 275.440 2.588 20 30 CFEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CC2CC=CC2)CC1 ZINC000595425539 349621383 /nfs/dbraw/zinc/62/13/83/349621383.db2.gz GBNPRGXLEXEXLY-GOSISDBHSA-N 0 3 299.393 2.974 20 30 CFEDHN N#Cc1cccc(N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)n1 ZINC000595434815 349624827 /nfs/dbraw/zinc/62/48/27/349624827.db2.gz FXAMGGBOIRQUGP-OWCLPIDISA-N 0 3 296.418 2.511 20 30 CFEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001231171126 781920208 /nfs/dbraw/zinc/92/02/08/781920208.db2.gz YCJCFEKLKHQLJN-CQSZACIVSA-N 0 3 270.392 2.625 20 30 CFEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@H]1[C@H]1CCCO1 ZINC000595492061 349641489 /nfs/dbraw/zinc/64/14/89/349641489.db2.gz ZULVXEQFCIECMY-SJORKVTESA-N 0 3 284.403 2.990 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1CCc1ccc(C#N)cc1 ZINC000595521129 349650108 /nfs/dbraw/zinc/65/01/08/349650108.db2.gz RMDXZOGAMORBTA-QGZVFWFLSA-N 0 3 271.408 2.517 20 30 CFEDHN CC[C@H](CC#N)NC[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595530248 349651710 /nfs/dbraw/zinc/65/17/10/349651710.db2.gz PZAPRISQDUOCBO-ZIAGYGMSSA-N 0 3 279.428 2.553 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000595609455 349673964 /nfs/dbraw/zinc/67/39/64/349673964.db2.gz KERKRMRAJCSBDM-HNNXBMFYSA-N 0 3 280.375 2.998 20 30 CFEDHN CC(C)(NCCOC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000595635528 349684826 /nfs/dbraw/zinc/68/48/26/349684826.db2.gz LTVKLMPGJBOXLS-MRXNPFEDSA-N 0 3 288.391 2.579 20 30 CFEDHN CCOC(=O)CCCNC(C)(C)c1cccc(C#N)c1 ZINC000595639461 349685810 /nfs/dbraw/zinc/68/58/10/349685810.db2.gz IEGZEUMCCPVLCI-UHFFFAOYSA-N 0 3 274.364 2.726 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000595619650 349679774 /nfs/dbraw/zinc/67/97/74/349679774.db2.gz FBRXZCYNPHCSFE-HNNXBMFYSA-N 0 3 280.375 2.998 20 30 CFEDHN Cc1ccccc1NC(=O)CCN1CCC[C@H](CC#N)C1 ZINC000595621516 349679948 /nfs/dbraw/zinc/67/99/48/349679948.db2.gz VVLOIEHBAJICMB-OAHLLOKOSA-N 0 3 285.391 2.949 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595623191 349680472 /nfs/dbraw/zinc/68/04/72/349680472.db2.gz JLTPHGYLIRVUTI-BFYDXBDKSA-N 0 3 272.392 2.777 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@@H](O)C2CCCCC2)C1 ZINC000595623499 349680582 /nfs/dbraw/zinc/68/05/82/349680582.db2.gz RTJIWMAILDJTNQ-UKRRQHHQSA-N 0 3 250.386 2.553 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccc(F)cc2)cc1 ZINC000069673371 346898080 /nfs/dbraw/zinc/89/80/80/346898080.db2.gz WRNQICZPVGVFKC-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)co2)C1 ZINC000595661060 349693528 /nfs/dbraw/zinc/69/35/28/349693528.db2.gz XCNRPRKOACKSAY-GFCCVEGCSA-N 0 3 263.337 2.854 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689198 349701291 /nfs/dbraw/zinc/70/12/91/349701291.db2.gz NPXGBKIFUZMHJZ-RRQGHBQHSA-N 0 3 270.376 2.978 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000595671327 349695527 /nfs/dbraw/zinc/69/55/27/349695527.db2.gz PVDXTEMNNKDMFP-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000595671326 349695856 /nfs/dbraw/zinc/69/58/56/349695856.db2.gz PVDXTEMNNKDMFP-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000347198272 529546077 /nfs/dbraw/zinc/54/60/77/529546077.db2.gz VQSUFVUUUJXSCL-RQJHMYQMSA-N 0 3 291.298 2.889 20 30 CFEDHN C[C@H]1CCCN(Cc2cc(C#N)ccc2F)[C@H]1CCO ZINC000595703517 349710598 /nfs/dbraw/zinc/71/05/98/349710598.db2.gz TTWJQASOSIRQBS-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN Cn1cc(CN2CC[C@@H]3C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000595811567 349737731 /nfs/dbraw/zinc/73/77/31/349737731.db2.gz VEJJBNXAYIFDBL-HZPDHXFCSA-N 0 3 292.386 2.801 20 30 CFEDHN CCC(CC)CCCN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000595831806 349745708 /nfs/dbraw/zinc/74/57/08/349745708.db2.gz PALZCBLFRJHWTH-CQSZACIVSA-N 0 3 281.444 2.895 20 30 CFEDHN CC[C@H](CNC1(c2cccc(C#N)c2)CCOCC1)OC ZINC000595769354 349728143 /nfs/dbraw/zinc/72/81/43/349728143.db2.gz QDLZTFYUQHYSFK-MRXNPFEDSA-N 0 3 288.391 2.579 20 30 CFEDHN C=CCC1(NCc2ccc(C(=O)OC)cn2)CCCC1 ZINC000595779588 349731093 /nfs/dbraw/zinc/73/10/93/349731093.db2.gz AXSCYSPGNRXESU-UHFFFAOYSA-N 0 3 274.364 2.847 20 30 CFEDHN C[C@@H](CCC#N)N1CCC([C@@H]2CCCCO2)CC1 ZINC000595782897 349732732 /nfs/dbraw/zinc/73/27/32/349732732.db2.gz JNLGYGXGHCXDTF-ZFWWWQNUSA-N 0 3 250.386 2.960 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)nc1 ZINC000595787486 349733937 /nfs/dbraw/zinc/73/39/37/349733937.db2.gz JGFFCKBORGZGHK-NVXWUHKLSA-N 0 3 285.391 2.734 20 30 CFEDHN CCN(CCCC#N)CCOc1ccccc1OC ZINC000595883852 349761108 /nfs/dbraw/zinc/76/11/08/349761108.db2.gz BJVILGIMJHBTCC-UHFFFAOYSA-N 0 3 262.353 2.700 20 30 CFEDHN Cc1cc(CN(C)CC2=CCSC2)ccc1C#N ZINC000595887985 349761755 /nfs/dbraw/zinc/76/17/55/349761755.db2.gz KFHRXXUDQYYTFG-UHFFFAOYSA-N 0 3 258.390 2.972 20 30 CFEDHN CN(C[C@H]1CC1(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595908605 349766821 /nfs/dbraw/zinc/76/68/21/349766821.db2.gz IUSVEIAWASTQRB-ZBFHGGJFSA-N 0 3 297.402 2.641 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595869472 349757265 /nfs/dbraw/zinc/75/72/65/349757265.db2.gz DIKOSBCEBZZADI-XJKCOSOUSA-N 0 3 258.365 2.570 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CCC1CC1)CC1CC1 ZINC000595870340 349758490 /nfs/dbraw/zinc/75/84/90/349758490.db2.gz ADEXKTSVQNIZPG-QGZVFWFLSA-N 0 3 291.439 2.553 20 30 CFEDHN CC1(C)C[C@@]1(NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000595995091 349774635 /nfs/dbraw/zinc/77/46/35/349774635.db2.gz MSJZAYWYXJVTPW-CRAIPNDOSA-N 0 3 299.418 2.839 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1CCCC1 ZINC000126156560 187221267 /nfs/dbraw/zinc/22/12/67/187221267.db2.gz KBWDVIYVXCMAMR-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN CC[C@H](NCc1cc(C#N)cs1)[C@H](O)C(C)C ZINC000414524602 529624088 /nfs/dbraw/zinc/62/40/88/529624088.db2.gz IJDNMURJDSCYJB-QWHCGFSZSA-N 0 3 252.383 2.505 20 30 CFEDHN N#Cc1c(Cl)cccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000596016027 349776296 /nfs/dbraw/zinc/77/62/96/349776296.db2.gz NJGXJLNDMQYVPG-PHIMTYICSA-N 0 3 261.756 2.542 20 30 CFEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)[C@H]1c1cccs1 ZINC000595947475 349771856 /nfs/dbraw/zinc/77/18/56/349771856.db2.gz MCZMGWZMJQYZDG-AAEUAGOBSA-N 0 3 291.420 2.679 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000595959356 349772194 /nfs/dbraw/zinc/77/21/94/349772194.db2.gz ONVCEXDXDFOIQF-SJORKVTESA-N 0 3 299.418 2.804 20 30 CFEDHN CCN1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)C[C@H]1C ZINC000596136380 349804612 /nfs/dbraw/zinc/80/46/12/349804612.db2.gz TZCKCGRSAHXFJM-ZJUUUORDSA-N 0 3 298.843 2.977 20 30 CFEDHN Cc1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000072678700 346935878 /nfs/dbraw/zinc/93/58/78/346935878.db2.gz JARDCZDLHHPWQM-CQSZACIVSA-N 0 3 294.358 2.803 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2nc3ncccc3cc2C#N)CN1C1CC1 ZINC000596156681 349812074 /nfs/dbraw/zinc/81/20/74/349812074.db2.gz RGTRMQXDGZIPBE-BXUZGUMPSA-N 0 3 293.374 2.539 20 30 CFEDHN CN1CCC[C@H]2CN(c3nc(C#N)c(Cl)s3)CC[C@H]21 ZINC000596168519 349815240 /nfs/dbraw/zinc/81/52/40/349815240.db2.gz OBTIJAXUDNDHGP-GXSJLCMTSA-N 0 3 296.827 2.589 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCC[C@H]1CN(C)C)c1ccccc1 ZINC000270312478 190645231 /nfs/dbraw/zinc/64/52/31/190645231.db2.gz RHTUXHKXNWRQRR-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCN1CCC(NC(=O)CC(C)(C)CC)CC1 ZINC000073080324 346960259 /nfs/dbraw/zinc/96/02/59/346960259.db2.gz JLGGUNHUNZEJNN-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000007786617 529837789 /nfs/dbraw/zinc/83/77/89/529837789.db2.gz MZTSTSVFMAGYMO-UHFFFAOYSA-N 0 3 271.364 2.761 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1cccc(F)c1C#N ZINC000596308786 349858885 /nfs/dbraw/zinc/85/88/85/349858885.db2.gz VBOQEHKGXFIJFT-NSHDSACASA-N 0 3 261.344 2.982 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1cccc(F)c1C#N ZINC000596308785 349859335 /nfs/dbraw/zinc/85/93/35/349859335.db2.gz VBOQEHKGXFIJFT-LLVKDONJSA-N 0 3 261.344 2.982 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000596309751 349860041 /nfs/dbraw/zinc/86/00/41/349860041.db2.gz VYULFXWOHZOBGM-AWEZNQCLSA-N 0 3 295.390 2.786 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000596309524 349860129 /nfs/dbraw/zinc/86/01/29/349860129.db2.gz SVLILFPKRONLMS-CYBMUJFWSA-N 0 3 284.407 2.727 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596307402 349858383 /nfs/dbraw/zinc/85/83/83/349858383.db2.gz MFQSVEHLSMANTO-CYBMUJFWSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000596327601 349864621 /nfs/dbraw/zinc/86/46/21/349864621.db2.gz URBFMLREOXVTQC-LBPRGKRZSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000596327600 349864637 /nfs/dbraw/zinc/86/46/37/349864637.db2.gz URBFMLREOXVTQC-GFCCVEGCSA-N 0 3 288.351 2.751 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H]2CCN(C(C)(C)C)C2)n1 ZINC000596337659 349868753 /nfs/dbraw/zinc/86/87/53/349868753.db2.gz ZNVHHZOLSSBXJJ-CYBMUJFWSA-N 0 3 258.369 2.546 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCCS1)C(C)C ZINC000075199971 347059699 /nfs/dbraw/zinc/05/96/99/347059699.db2.gz DVQJZLQMKXISLX-LSDHHAIUSA-N 0 3 296.480 2.697 20 30 CFEDHN CCN(CC)[C@@H]1CCN(c2cc(C(C)=O)ccc2C#N)C1 ZINC000273219410 192078368 /nfs/dbraw/zinc/07/83/68/192078368.db2.gz OXJXMEWOVZKKIB-MRXNPFEDSA-N 0 3 285.391 2.681 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000022836441 346250671 /nfs/dbraw/zinc/25/06/71/346250671.db2.gz QFXYEBUGPZTOMB-IBGZPJMESA-N 0 3 291.398 2.922 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1 ZINC000023898968 346254102 /nfs/dbraw/zinc/25/41/02/346254102.db2.gz BTBUWGFBLKDIEI-UHFFFAOYSA-N 0 3 279.343 2.872 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnn(CC(F)F)c2)C1 ZINC000668494129 539535801 /nfs/dbraw/zinc/53/58/01/539535801.db2.gz WIRKJYXHTZWGHL-GFCCVEGCSA-N 0 3 269.339 2.936 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccccc2)nc(C)n1 ZINC000041574304 346353385 /nfs/dbraw/zinc/35/33/85/346353385.db2.gz WOHJCOFWSSJVJR-ZDUSSCGKSA-N 0 3 251.289 2.584 20 30 CFEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000047967604 346461399 /nfs/dbraw/zinc/46/13/99/346461399.db2.gz VLCUWEXPNNQVPB-UHFFFAOYSA-N 0 3 291.439 2.936 20 30 CFEDHN CCC[C@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000048070750 346465814 /nfs/dbraw/zinc/46/58/14/346465814.db2.gz MIZKYVLBKRWFSL-AWEZNQCLSA-N 0 3 279.428 2.792 20 30 CFEDHN CN(C)CCOc1cccc(-c2ccc(C#N)cc2CO)c1 ZINC000596636011 349964317 /nfs/dbraw/zinc/96/43/17/349964317.db2.gz MAQPFRHMKFKHKY-UHFFFAOYSA-N 0 3 296.370 2.658 20 30 CFEDHN C=CCNC(=O)CN(C1CC1)C1CCC(CC)CC1 ZINC000052103639 346513690 /nfs/dbraw/zinc/51/36/90/346513690.db2.gz YZXJDSBPBCNTMU-UHFFFAOYSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)C1CCCCC1 ZINC000052873614 346531196 /nfs/dbraw/zinc/53/11/96/346531196.db2.gz GITLSCLPZJIBBX-UHFFFAOYSA-N 0 3 264.413 2.842 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000059394289 346656616 /nfs/dbraw/zinc/65/66/16/346656616.db2.gz JZIWMTBKSRLPKD-OAHLLOKOSA-N 0 3 284.338 2.807 20 30 CFEDHN N#CCCCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000060366486 346663637 /nfs/dbraw/zinc/66/36/37/346663637.db2.gz MZURSKFBSFVZBE-HNNXBMFYSA-N 0 3 262.353 2.954 20 30 CFEDHN CN(C)CCOc1ccc(CNc2ccc(C#N)cn2)cc1 ZINC000076836311 347156910 /nfs/dbraw/zinc/15/69/10/347156910.db2.gz LCRSUDLABNIUAR-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C#CCOc1ccccc1CNCCCc1nccs1 ZINC000076892567 347158856 /nfs/dbraw/zinc/15/88/56/347158856.db2.gz DSGCPDBCTQFVAE-UHFFFAOYSA-N 0 3 286.400 2.878 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C1CC1)C1CCCCC1 ZINC000076948826 347161903 /nfs/dbraw/zinc/16/19/03/347161903.db2.gz LOXOSHXOJTWIOL-UHFFFAOYSA-N 0 3 277.412 2.546 20 30 CFEDHN C[C@@H]1CCCN(CCNc2c(C#N)nnc3ccccc32)C1 ZINC000077189917 347171875 /nfs/dbraw/zinc/17/18/75/347171875.db2.gz ZOZJTTWWQVKUSW-CYBMUJFWSA-N 0 3 295.390 2.645 20 30 CFEDHN CC(C)CN1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000078394677 347249140 /nfs/dbraw/zinc/24/91/40/347249140.db2.gz SCLWJVWUTMTDJL-UHFFFAOYSA-N 0 3 296.418 2.585 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000079004361 347284663 /nfs/dbraw/zinc/28/46/63/347284663.db2.gz MFZZATMNFYUHFJ-NSHDSACASA-N 0 3 292.342 2.579 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C1CC1)C1CCC(C)CC1 ZINC000080042211 347338986 /nfs/dbraw/zinc/33/89/86/347338986.db2.gz TXKPTHJLBCPGNW-UHFFFAOYSA-N 0 3 291.439 2.792 20 30 CFEDHN CN(C)c1nc(CNCC(C)(C)CCC#N)cs1 ZINC000080245250 347350989 /nfs/dbraw/zinc/35/09/89/347350989.db2.gz YTDRJNMLGNKMIL-UHFFFAOYSA-N 0 3 266.414 2.629 20 30 CFEDHN C=CCCC[C@@H](C)N1CCCN(C(=O)C(C)C)CC1 ZINC000091510669 347591044 /nfs/dbraw/zinc/59/10/44/347591044.db2.gz FWPDQJITPNFWKE-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN CCN1CC[C@H](N(C)c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000092656914 347637986 /nfs/dbraw/zinc/63/79/86/347637986.db2.gz FRLGXIDUWZQULT-KOLCDFICSA-N 0 3 298.843 2.835 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)c2snc(Cl)c2C#N)CCN1C ZINC000092656972 347638004 /nfs/dbraw/zinc/63/80/04/347638004.db2.gz SMRRFJDJVFWUHT-BDAKNGLRSA-N 0 3 284.816 2.587 20 30 CFEDHN C[C@@H]1[C@@H](C)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000092737233 347643350 /nfs/dbraw/zinc/64/33/50/347643350.db2.gz SMLUXZSFVOEKJM-QWHCGFSZSA-N 0 3 268.364 2.826 20 30 CFEDHN CC(C)CN1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092886071 347650006 /nfs/dbraw/zinc/65/00/06/347650006.db2.gz HBARPBMSTMPODV-UHFFFAOYSA-N 0 3 294.402 2.884 20 30 CFEDHN C[C@@H](C1CC1)N(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000092009549 347606868 /nfs/dbraw/zinc/60/68/68/347606868.db2.gz LHAVPXJQDFGYTB-LBPRGKRZSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1ccc([C@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000094150982 347693043 /nfs/dbraw/zinc/69/30/43/347693043.db2.gz GFKMZHLKYPDORY-KRWDZBQOSA-N 0 3 280.375 2.977 20 30 CFEDHN CN(CCc1cccs1)Cc1ccnc(C#N)c1 ZINC000093268158 347666860 /nfs/dbraw/zinc/66/68/60/347666860.db2.gz KGZXGLRJALHFOM-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN CCO[C@@H]1C[C@H](NCC(C)(C)C#N)C12CCCC2 ZINC000122258655 347815235 /nfs/dbraw/zinc/81/52/35/347815235.db2.gz DUULAWXQEKOXDE-QWHCGFSZSA-N 0 3 250.386 2.864 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000125742526 347828747 /nfs/dbraw/zinc/82/87/47/347828747.db2.gz VNJBFYITKPWEEQ-GJZGRUSLSA-N 0 3 281.444 2.714 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@H](C)C#N)CC3 ZINC000133040680 347889418 /nfs/dbraw/zinc/88/94/18/347889418.db2.gz JMSNTVUJHWCNAS-NEPJUHHUSA-N 0 3 283.375 2.783 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CCCCC2)c(F)c1 ZINC000157565773 348000635 /nfs/dbraw/zinc/00/06/35/348000635.db2.gz TXQFMPCLBGTJJP-UHFFFAOYSA-N 0 3 276.355 2.730 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCCN1CCCC[C@@H]1CC ZINC000154101122 347978473 /nfs/dbraw/zinc/97/84/73/347978473.db2.gz ULRDBHALLOHDAU-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)CCc2cccc(C)c2)CC1 ZINC000171722104 348079791 /nfs/dbraw/zinc/07/97/91/348079791.db2.gz LNFFQZAITLUGCD-UHFFFAOYSA-N 0 3 286.419 2.694 20 30 CFEDHN COc1cnccc1[C@H](C)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248876147 348278551 /nfs/dbraw/zinc/27/85/51/348278551.db2.gz JNLNBTMKPDNPEB-YNEHKIRRSA-N 0 3 259.353 2.823 20 30 CFEDHN CC(C)OCCCN(C)Cc1ccc(OCC#N)cc1 ZINC000265896159 348322723 /nfs/dbraw/zinc/32/27/23/348322723.db2.gz SVSYERBBNKGCLE-UHFFFAOYSA-N 0 3 276.380 2.836 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C(C)C)CC1 ZINC000303667654 348375878 /nfs/dbraw/zinc/37/58/78/348375878.db2.gz XXJWARCIJQDAET-INIZCTEOSA-N 0 3 278.440 2.945 20 30 CFEDHN C=CCOc1ccc(CNCC[C@H](C)O)cc1Cl ZINC000304112904 348377120 /nfs/dbraw/zinc/37/71/20/348377120.db2.gz GTGMLFPNUJJUJJ-NSHDSACASA-N 0 3 269.772 2.765 20 30 CFEDHN C[C@H](CNc1ncc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000413050272 233011858 /nfs/dbraw/zinc/01/18/58/233011858.db2.gz DCHJNEXJILHGHN-VXGBXAGGSA-N 0 3 276.359 2.625 20 30 CFEDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)cc(C#N)n1 ZINC000308276258 348403742 /nfs/dbraw/zinc/40/37/42/348403742.db2.gz HSCKFCBBUPQTPH-INIZCTEOSA-N 0 3 292.386 2.948 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)CC1(C#N)CCCCC1 ZINC000596789714 349990305 /nfs/dbraw/zinc/99/03/05/349990305.db2.gz FTMWQYHBGZSCLG-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN C=CCN1CC[C@H](N2CC(C)(C)CC(C)(C)C2)C1=O ZINC000337212424 348452714 /nfs/dbraw/zinc/45/27/14/348452714.db2.gz VMSCJKSHDBEINE-ZDUSSCGKSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCC(C)(C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000339999193 348454935 /nfs/dbraw/zinc/45/49/35/348454935.db2.gz IYWBEQXNHHBEKK-UHFFFAOYSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](CO)c1cccnc1 ZINC000342274327 348457441 /nfs/dbraw/zinc/45/74/41/348457441.db2.gz HLXPDOKRWNGFFJ-KRWDZBQOSA-N 0 3 298.386 2.512 20 30 CFEDHN C[C@H](CCC#N)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000411764196 348603973 /nfs/dbraw/zinc/60/39/73/348603973.db2.gz DSWCPCMWKGIEAC-NVXWUHKLSA-N 0 3 271.408 2.537 20 30 CFEDHN N#CC[C@H]1CCCN(CCc2ccc3c(c2)CCO3)C1 ZINC000397710302 348563485 /nfs/dbraw/zinc/56/34/85/348563485.db2.gz UXCJREBMTTZBFV-OAHLLOKOSA-N 0 3 270.376 2.790 20 30 CFEDHN CCOC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000399048827 348568811 /nfs/dbraw/zinc/56/88/11/348568811.db2.gz UKCWMBOKHNLSBB-UHFFFAOYSA-N 0 3 258.365 2.754 20 30 CFEDHN C=CCC1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCCC1 ZINC000449866099 348619977 /nfs/dbraw/zinc/61/99/77/348619977.db2.gz BUYUYYSWMCANCZ-HNNXBMFYSA-N 0 3 278.440 2.923 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc2c(c1C#N)CCC2 ZINC000584835300 348721050 /nfs/dbraw/zinc/72/10/50/348721050.db2.gz TTYNINUWJJBOEE-KBPBESRZSA-N 0 3 298.434 2.974 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CC2(CCC2)O1 ZINC000579953961 348672675 /nfs/dbraw/zinc/67/26/75/348672675.db2.gz VMAXGMVHSQSJTH-OAHLLOKOSA-N 0 3 292.423 2.730 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@@H](C#N)CCC#N ZINC000580316626 348673092 /nfs/dbraw/zinc/67/30/92/348673092.db2.gz PPCMDURMQWVROI-NXHRZFHOSA-N 0 3 296.418 2.540 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000583571931 348676252 /nfs/dbraw/zinc/67/62/52/348676252.db2.gz FXWTUEGAPXSARD-VNQPRFMTSA-N 0 3 272.392 2.542 20 30 CFEDHN C=CCN(C)CCN(CC)C[C@H]1CCC2(CCCC2)O1 ZINC000584706570 348706959 /nfs/dbraw/zinc/70/69/59/348706959.db2.gz QFSZDUZNAOHEPV-MRXNPFEDSA-N 0 3 280.456 2.918 20 30 CFEDHN C[C@@H](CNC(=O)CCCCCC#N)N1CCCC[C@H]1C ZINC000588150464 348773411 /nfs/dbraw/zinc/77/34/11/348773411.db2.gz VQLQZDLGRVCLKZ-CABCVRRESA-N 0 3 279.428 2.840 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(C#N)cc(C)n2)CC1 ZINC000587971484 348763165 /nfs/dbraw/zinc/76/31/65/348763165.db2.gz YMGINUFUDLGXDV-UHFFFAOYSA-N 0 3 270.380 2.714 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccccc1CO)CC2 ZINC000589337913 348828447 /nfs/dbraw/zinc/82/84/47/348828447.db2.gz GAQMMESZZZDKKB-GOSISDBHSA-N 0 3 278.355 2.828 20 30 CFEDHN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CCCC#N ZINC000589706994 348852822 /nfs/dbraw/zinc/85/28/22/348852822.db2.gz NTGIBVXOVJLFPX-INIZCTEOSA-N 0 3 299.418 2.803 20 30 CFEDHN N#Cc1csc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000589938195 348864904 /nfs/dbraw/zinc/86/49/04/348864904.db2.gz JOQGTFCLUOMYBE-GXSJLCMTSA-N 0 3 290.310 2.555 20 30 CFEDHN C=C(C)CN1CCC(NCc2nc3c(s2)CCC3)CC1 ZINC000093067363 539684721 /nfs/dbraw/zinc/68/47/21/539684721.db2.gz VUXHEXAELNLHJK-UHFFFAOYSA-N 0 3 291.464 2.762 20 30 CFEDHN C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000590169942 348882338 /nfs/dbraw/zinc/88/23/38/348882338.db2.gz JNGXYFWMVFRTHF-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN CC(C)C[C@@H](C)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000590709316 348932606 /nfs/dbraw/zinc/93/26/06/348932606.db2.gz IIZKAQLLEYQHBK-HUUCEWRRSA-N 0 3 251.418 2.587 20 30 CFEDHN C[C@@H](Cc1cnccn1)NCc1ccc(C#N)c(Cl)c1 ZINC000590778619 348948026 /nfs/dbraw/zinc/94/80/26/348948026.db2.gz JGDHFZBLFFEYRP-NSHDSACASA-N 0 3 286.766 2.722 20 30 CFEDHN C=C[C@H](C(=O)OC)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000590762937 348944644 /nfs/dbraw/zinc/94/46/44/348944644.db2.gz ODZQOIDIINBXFY-CQSZACIVSA-N 0 3 296.455 2.546 20 30 CFEDHN C[C@]1(C#N)CCCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000590956119 348971048 /nfs/dbraw/zinc/97/10/48/348971048.db2.gz XMCSAAXVGWARNL-QZTJIDSGSA-N 0 3 283.419 2.887 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CC2CCCC2)c(F)c1 ZINC000591733982 349041429 /nfs/dbraw/zinc/04/14/29/349041429.db2.gz RYSYXSPTIXVMOS-OAHLLOKOSA-N 0 3 276.355 2.728 20 30 CFEDHN N#CC1(CNC[C@@H]2CCOc3ccccc32)CCC1 ZINC000591357720 349011738 /nfs/dbraw/zinc/01/17/38/349011738.db2.gz BQPQARWOANMXTI-ZDUSSCGKSA-N 0 3 256.349 2.836 20 30 CFEDHN CC(C)[C@@H](NCc1ccncc1C#N)C1(CO)CCCC1 ZINC000592124940 349087152 /nfs/dbraw/zinc/08/71/52/349087152.db2.gz NMOJSRWIVGGOKR-MRXNPFEDSA-N 0 3 287.407 2.620 20 30 CFEDHN CC(C)O[C@@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592153688 349092593 /nfs/dbraw/zinc/09/25/93/349092593.db2.gz NTJCJQHXCJSOIC-IRXDYDNUSA-N 0 3 288.391 2.503 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)[C@@H]1SC ZINC000592167206 349094843 /nfs/dbraw/zinc/09/48/43/349094843.db2.gz MHMHXQVKSXDKRO-KFWWJZLASA-N 0 3 294.395 2.696 20 30 CFEDHN CCc1cc(N2CC[C@@](O)(CC#N)C2)c2ccccc2n1 ZINC000591975988 349068398 /nfs/dbraw/zinc/06/83/98/349068398.db2.gz RUEGKKHLEHIWBL-KRWDZBQOSA-N 0 3 281.359 2.652 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)C1 ZINC000592374398 349111052 /nfs/dbraw/zinc/11/10/52/349111052.db2.gz DVHUDPBRSPQTDJ-OTVXOJSOSA-N 0 3 298.390 2.642 20 30 CFEDHN CC[C@H](C)C[C@H](CO)NCc1ccc(C#N)s1 ZINC000592374440 349111197 /nfs/dbraw/zinc/11/11/97/349111197.db2.gz GVHJLYZIVNGHDG-WDEREUQCSA-N 0 3 252.383 2.506 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCO)c2ccccc2F)C1 ZINC000592403549 349117148 /nfs/dbraw/zinc/11/71/48/349117148.db2.gz OKHPYMZPTJFKAN-XJKCOSOUSA-N 0 3 276.355 2.921 20 30 CFEDHN CCCN(Cc1cc(C#N)cs1)[C@@H]1CCN(C)C1 ZINC000592521209 349132768 /nfs/dbraw/zinc/13/27/68/349132768.db2.gz WRMHZYSCHHRAJW-CYBMUJFWSA-N 0 3 263.410 2.536 20 30 CFEDHN C[C@@H]1SCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000592904850 349176967 /nfs/dbraw/zinc/17/69/67/349176967.db2.gz SZTRQXGDCBTXLO-QEJZJMRPSA-N 0 3 288.416 2.769 20 30 CFEDHN CN1CCC[C@@H]1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000593013203 349187129 /nfs/dbraw/zinc/18/71/29/349187129.db2.gz IPGVUVIPRQCIJV-KURKYZTESA-N 0 3 283.419 2.852 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1F ZINC000592832263 349169440 /nfs/dbraw/zinc/16/94/40/349169440.db2.gz RXNYAVNHUGDATM-LRDDRELGSA-N 0 3 274.339 2.909 20 30 CFEDHN COC(=O)c1cccc(CNC2(C3CCC3)CC2)c1C#N ZINC000593079076 349203031 /nfs/dbraw/zinc/20/30/31/349203031.db2.gz CWSJKJBXEQBPDS-UHFFFAOYSA-N 0 3 284.359 2.767 20 30 CFEDHN CC[C@H](C#N)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593604211 349297627 /nfs/dbraw/zinc/29/76/27/349297627.db2.gz ISAOLYNTVDXUTQ-SJORKVTESA-N 0 3 299.418 2.659 20 30 CFEDHN COc1cc(CN[C@@H]2CNc3ccccc3C2)ccc1C#N ZINC000593314177 349245731 /nfs/dbraw/zinc/24/57/31/349245731.db2.gz AIAUVFCTWPKIIT-INIZCTEOSA-N 0 3 293.370 2.693 20 30 CFEDHN CCC(C#N)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593848053 349331374 /nfs/dbraw/zinc/33/13/74/349331374.db2.gz WSYWUHPBDARINC-STQMWFEESA-N 0 3 294.395 2.649 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593890955 349333136 /nfs/dbraw/zinc/33/31/36/349333136.db2.gz KGBOPJKUSDFVHW-OEAJRASXSA-N 0 3 284.359 2.667 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1 ZINC000594003836 349351380 /nfs/dbraw/zinc/35/13/80/349351380.db2.gz BIRSHOMSRUSDLF-HUUCEWRRSA-N 0 3 272.392 2.737 20 30 CFEDHN C[C@@H](NC(=O)CCCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000594005015 349351525 /nfs/dbraw/zinc/35/15/25/349351525.db2.gz SYBQTRVYOHZBIE-PBHICJAKSA-N 0 3 287.407 2.878 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000593708440 349313043 /nfs/dbraw/zinc/31/30/43/349313043.db2.gz VUKYBGQUPLDJSQ-HNNXBMFYSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@@H](COCC1CC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000593719742 349314623 /nfs/dbraw/zinc/31/46/23/349314623.db2.gz QDSYPRHNQDUFQP-SJCJKPOMSA-N 0 3 270.376 2.950 20 30 CFEDHN C[C@H](NCCC1(CO)CCC1)c1ccc(C#N)cc1F ZINC000593718741 349314753 /nfs/dbraw/zinc/31/47/53/349314753.db2.gz QNLSXTDBKYAHGC-LBPRGKRZSA-N 0 3 276.355 2.901 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H](OC2CCC2)C1 ZINC000594026364 349356759 /nfs/dbraw/zinc/35/67/59/349356759.db2.gz JYHDQNQBANKJHL-CQSZACIVSA-N 0 3 250.386 2.960 20 30 CFEDHN CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594286525 349404206 /nfs/dbraw/zinc/40/42/06/349404206.db2.gz PKCMKQSGTGYTHQ-IAGOWNOFSA-N 0 3 299.418 2.563 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@H]2CC2CCCC2)CCC1 ZINC000594052358 349363995 /nfs/dbraw/zinc/36/39/95/349363995.db2.gz FHPMZTYILGJOQI-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN C[C@H](O)CN(CCC1(C#N)CCCCC1)C1CC1 ZINC000594065493 349368084 /nfs/dbraw/zinc/36/80/84/349368084.db2.gz QSYPIXBEVLCSSM-ZDUSSCGKSA-N 0 3 250.386 2.696 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2ccncc21 ZINC000594437209 349422727 /nfs/dbraw/zinc/42/27/27/349422727.db2.gz JFEJNAUBHDDLLG-CQSZACIVSA-N 0 3 282.347 2.585 20 30 CFEDHN CN(CCC1CCCCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594438380 349423031 /nfs/dbraw/zinc/42/30/31/349423031.db2.gz NBRLWWQQLNDDAF-HNNXBMFYSA-N 0 3 279.428 2.826 20 30 CFEDHN C[C@@H](CCC(C)(C)C)NC(=O)[C@H](N)CCCCC#N ZINC000594444431 349423610 /nfs/dbraw/zinc/42/36/10/349423610.db2.gz LXMXUQWXMQPRQS-QWHCGFSZSA-N 0 3 267.417 2.729 20 30 CFEDHN CN(CC1(c2ccccc2)CC1)C(=O)[C@@H](N)CCCCC#N ZINC000594446273 349424226 /nfs/dbraw/zinc/42/42/26/349424226.db2.gz OVWFXPYTSDMPAY-INIZCTEOSA-N 0 3 299.418 2.588 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000594449078 349425184 /nfs/dbraw/zinc/42/51/84/349425184.db2.gz DURNBGCZJGMXCB-HZPDHXFCSA-N 0 3 291.439 2.873 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000594449076 349425426 /nfs/dbraw/zinc/42/54/26/349425426.db2.gz DURNBGCZJGMXCB-CVEARBPZSA-N 0 3 291.439 2.873 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000594457293 349425981 /nfs/dbraw/zinc/42/59/81/349425981.db2.gz YWDYSHIRERGQLA-HUUCEWRRSA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)(C#N)c1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000594493845 349429060 /nfs/dbraw/zinc/42/90/60/349429060.db2.gz STOPAAVTKYTZKA-HNNXBMFYSA-N 0 3 258.365 2.756 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000596972120 350009885 /nfs/dbraw/zinc/00/98/85/350009885.db2.gz SGPCSTRCMBOETG-DOTOQJQBSA-N 0 3 299.418 2.707 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CO[C@H](C2CC2)C1 ZINC000597119812 350032695 /nfs/dbraw/zinc/03/26/95/350032695.db2.gz YTDAYOFMMTULKW-XIRDDKMYSA-N 0 3 268.360 2.703 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000597119809 350032787 /nfs/dbraw/zinc/03/27/87/350032787.db2.gz YTDAYOFMMTULKW-BHYGNILZSA-N 0 3 268.360 2.703 20 30 CFEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1O ZINC000597112198 350030886 /nfs/dbraw/zinc/03/08/86/350030886.db2.gz YTKRGOJNULVBFZ-INIZCTEOSA-N 0 3 284.403 2.835 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H](C)CC#N ZINC000597111520 350031126 /nfs/dbraw/zinc/03/11/26/350031126.db2.gz QBSPQLUXOMKNMZ-AWEZNQCLSA-N 0 3 287.407 2.646 20 30 CFEDHN CSc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594424949 349417335 /nfs/dbraw/zinc/41/73/35/349417335.db2.gz FCGALMNUQMAGCB-CYBMUJFWSA-N 0 3 277.393 2.758 20 30 CFEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@H]1CCc2ccccc21 ZINC000594426519 349417634 /nfs/dbraw/zinc/41/76/34/349417634.db2.gz DQFHLPJQBHQWGA-CVEARBPZSA-N 0 3 285.391 2.544 20 30 CFEDHN CCCCCN(C(=O)[C@@H](N)CCCCC#N)C(C)C ZINC000594426207 349417717 /nfs/dbraw/zinc/41/77/17/349417717.db2.gz DHNWVBUACQIMMY-AWEZNQCLSA-N 0 3 267.417 2.825 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000594426293 349417915 /nfs/dbraw/zinc/41/79/15/349417915.db2.gz OHYVIMMWJWWUSL-HNNXBMFYSA-N 0 3 285.391 2.915 20 30 CFEDHN C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594427329 349418660 /nfs/dbraw/zinc/41/86/60/349418660.db2.gz IJHOQRFHWNJDPK-WFASDCNBSA-N 0 3 291.370 2.756 20 30 CFEDHN COc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594427908 349418719 /nfs/dbraw/zinc/41/87/19/349418719.db2.gz XIFJMUMSDVLOPZ-LBPRGKRZSA-N 0 3 295.770 2.698 20 30 CFEDHN Cc1ccc(C)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594427615 349418804 /nfs/dbraw/zinc/41/88/04/349418804.db2.gz VHRKTSHNAGMYJX-ZDUSSCGKSA-N 0 3 259.353 2.653 20 30 CFEDHN CCC1CCC(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594427348 349418859 /nfs/dbraw/zinc/41/88/59/349418859.db2.gz IAOCLQGXYNXBBS-YMAMQOFZSA-N 0 3 279.428 2.730 20 30 CFEDHN CC(C)N(C(=O)[C@H](N)CCCCC#N)C1CCCC1 ZINC000594427488 349418867 /nfs/dbraw/zinc/41/88/67/349418867.db2.gz JBJWEURGGNUTBH-CQSZACIVSA-N 0 3 265.401 2.577 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000594427781 349419025 /nfs/dbraw/zinc/41/90/25/349419025.db2.gz JFGVQDKISWRQQF-SJORKVTESA-N 0 3 299.418 2.631 20 30 CFEDHN Cc1cc(C)c(CNC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594429131 349419496 /nfs/dbraw/zinc/41/94/96/349419496.db2.gz RABGHQGVQRHICX-INIZCTEOSA-N 0 3 287.407 2.639 20 30 CFEDHN C[C@@H]1CCC[C@H](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594433588 349420740 /nfs/dbraw/zinc/42/07/40/349420740.db2.gz HMKAVXMBHHYUCI-RBSFLKMASA-N 0 3 279.428 2.730 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@H]1CCCc2sccc21 ZINC000594435739 349421838 /nfs/dbraw/zinc/42/18/38/349421838.db2.gz JOHVQLFGVCLLQT-OLZOCXBDSA-N 0 3 291.420 2.653 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@@](C)(C2CC2)C1 ZINC000597178269 350045210 /nfs/dbraw/zinc/04/52/10/350045210.db2.gz BVDFXQRPFGWXLX-OAHLLOKOSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000597187944 350047778 /nfs/dbraw/zinc/04/77/78/350047778.db2.gz TXNDNWBJSUEIAZ-CQSZACIVSA-N 0 3 290.407 2.908 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000597187691 350047926 /nfs/dbraw/zinc/04/79/26/350047926.db2.gz OJNOVWNRHPNWTE-CQSZACIVSA-N 0 3 280.375 2.994 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000597319484 350083150 /nfs/dbraw/zinc/08/31/50/350083150.db2.gz POBDPXMYPJQPEI-JKSUJKDBSA-N 0 3 299.418 2.659 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)CC#N)N(C)C ZINC000597543987 350109999 /nfs/dbraw/zinc/10/99/99/350109999.db2.gz CFLHQSZOUGIINU-DZKIICNBSA-N 0 3 287.407 2.652 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CN1C1CC1 ZINC000597363334 350089610 /nfs/dbraw/zinc/08/96/10/350089610.db2.gz BHPDNUSANITVNT-KGLIPLIRSA-N 0 3 289.423 2.592 20 30 CFEDHN COc1cc(CN[C@H](C)[C@@](C)(OC)C2CC2)ccc1C#N ZINC000414503301 233275010 /nfs/dbraw/zinc/27/50/10/233275010.db2.gz QMFFSKCZZYRACN-SJKOYZFVSA-N 0 3 288.391 2.860 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000090883770 180053140 /nfs/dbraw/zinc/05/31/40/180053140.db2.gz IFIVHTBSGUWLAL-CYBMUJFWSA-N 0 3 277.364 2.701 20 30 CFEDHN CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C)C1 ZINC000597943886 350159928 /nfs/dbraw/zinc/15/99/28/350159928.db2.gz AINONRRUEMUABK-INIZCTEOSA-N 0 3 299.418 2.654 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598234630 350222317 /nfs/dbraw/zinc/22/23/17/350222317.db2.gz UQOBUJUKJBNHIY-HZPDHXFCSA-N 0 3 281.359 2.545 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000598209488 350214325 /nfs/dbraw/zinc/21/43/25/350214325.db2.gz MYNTWRBIHQBKRZ-SSDOTTSWSA-N 0 3 257.120 2.769 20 30 CFEDHN CCN(C(=O)c1ccc(CN2CCCC2)cc1)[C@@H](C)C#N ZINC000598354684 350244744 /nfs/dbraw/zinc/24/47/44/350244744.db2.gz ZEGQJXAJCOEBAP-AWEZNQCLSA-N 0 3 285.391 2.657 20 30 CFEDHN COCCNc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000105464110 186059570 /nfs/dbraw/zinc/05/95/70/186059570.db2.gz UFGBIVCZLYWQNR-UHFFFAOYSA-N 0 3 295.386 2.906 20 30 CFEDHN C=CCN(C[C@@H](O)COc1ccccc1Cl)C1CC1 ZINC000271351699 191090382 /nfs/dbraw/zinc/09/03/82/191090382.db2.gz DFWOVVYOSMGLLU-CYBMUJFWSA-N 0 3 281.783 2.730 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000598583818 350285431 /nfs/dbraw/zinc/28/54/31/350285431.db2.gz DRWMTBAHHKMDHU-GHMZBOCLSA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1ccc2c(c1)CN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598626168 350296436 /nfs/dbraw/zinc/29/64/36/350296436.db2.gz ZZDCKGNLHDMYDO-INIZCTEOSA-N 0 3 272.392 2.654 20 30 CFEDHN CCC1(c2ccccc2)CN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598706681 350314430 /nfs/dbraw/zinc/31/44/30/350314430.db2.gz TZLHWEPMNYCRFG-INIZCTEOSA-N 0 3 286.419 2.951 20 30 CFEDHN CC(C)CCOC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585843 350286046 /nfs/dbraw/zinc/28/60/46/350286046.db2.gz LBCNBPATPAYDHX-HNNXBMFYSA-N 0 3 296.455 2.814 20 30 CFEDHN Cc1ccccc1OCCN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598585000 350286470 /nfs/dbraw/zinc/28/64/70/350286470.db2.gz NBUPKMOYQKVALJ-HNNXBMFYSA-N 0 3 290.407 2.606 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccco1 ZINC000598591826 350287896 /nfs/dbraw/zinc/28/78/96/350287896.db2.gz CMMPFPWQPHSIFT-STQMWFEESA-N 0 3 262.353 2.717 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000598591962 350288359 /nfs/dbraw/zinc/28/83/59/350288359.db2.gz CSKKWCOZMIGUCG-KBMXLJTQSA-N 0 3 272.392 2.980 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000598596294 350290002 /nfs/dbraw/zinc/29/00/02/350290002.db2.gz ZLUCBAQXOOJRIN-JKSUJKDBSA-N 0 3 288.391 2.830 20 30 CFEDHN CC(C)(C)C1=CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598598252 350290151 /nfs/dbraw/zinc/29/01/51/350290151.db2.gz BZGUYWSNPAWARU-AWEZNQCLSA-N 0 3 264.413 2.965 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000598600785 350290937 /nfs/dbraw/zinc/29/09/37/350290937.db2.gz JZYNBBHEUWNTAV-DOMZBBRYSA-N 0 3 271.364 2.510 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2cccnc2)CC1 ZINC000598600145 350290987 /nfs/dbraw/zinc/29/09/87/350290987.db2.gz OIRLNFCVSZVGHB-INIZCTEOSA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@H](O)CC(C)(C)C#N ZINC000598600278 350291037 /nfs/dbraw/zinc/29/10/37/350291037.db2.gz AJVQCXPXLHNLSF-GRYCIOLGSA-N 0 3 292.345 2.950 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000598607874 350293011 /nfs/dbraw/zinc/29/30/11/350293011.db2.gz DCTRAJCEJHXXGW-MNOVXSKESA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1ccc2c(c1)CCN(C[C@H](O)CC(C)(C)C#N)C2 ZINC000598614416 350293473 /nfs/dbraw/zinc/29/34/73/350293473.db2.gz DGBZLYYGWLZZCL-MRXNPFEDSA-N 0 3 272.392 2.654 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](c2ccncc2)C1 ZINC000598617056 350294692 /nfs/dbraw/zinc/29/46/92/350294692.db2.gz PEQULQAJTURDCV-HZPDHXFCSA-N 0 3 287.407 2.562 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC=C(c2ccco2)C1 ZINC000598617589 350294927 /nfs/dbraw/zinc/29/49/27/350294927.db2.gz TYZAEXSUWWXZBW-CQSZACIVSA-N 0 3 274.364 2.669 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000598964659 350350597 /nfs/dbraw/zinc/35/05/97/350350597.db2.gz LVNSXHPNCSYNDT-HNNXBMFYSA-N 0 3 287.407 2.735 20 30 CFEDHN CS[C@@H]1CCCCN(Cc2ccc(C#N)o2)C1 ZINC000092064174 180316540 /nfs/dbraw/zinc/31/65/40/180316540.db2.gz HDCCIBJDGWERSW-CYBMUJFWSA-N 0 3 250.367 2.869 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1C#N ZINC000599267659 350402623 /nfs/dbraw/zinc/40/26/23/350402623.db2.gz XXVLMQRNHOKOGR-HNNXBMFYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1ccc(CN2CCC3(CCOC3)CC2)cc1C#N ZINC000599337667 350417343 /nfs/dbraw/zinc/41/73/43/350417343.db2.gz DNJXMMPFEXMYHU-UHFFFAOYSA-N 0 3 270.376 2.869 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CC2CC(C)(C)C2)CC1 ZINC000599337262 350417553 /nfs/dbraw/zinc/41/75/53/350417553.db2.gz SSZKMTBXTVCQKR-OAHLLOKOSA-N 0 3 263.429 2.588 20 30 CFEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599344193 350419861 /nfs/dbraw/zinc/41/98/61/350419861.db2.gz ADZQSUFCGVBIQQ-ZYHUDNBSSA-N 0 3 280.318 2.670 20 30 CFEDHN CCOc1cccc([C@H](C)NC[C@H](O)CC2(C#N)CC2)c1 ZINC000599349691 350420405 /nfs/dbraw/zinc/42/04/05/350420405.db2.gz QHRNWEPUNSQBIS-DZGCQCFKSA-N 0 3 288.391 2.791 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(C)c(C#N)c2)CC[C@@H]1C ZINC000599382447 350427225 /nfs/dbraw/zinc/42/72/25/350427225.db2.gz QYAZQFLLRPENPG-XJKSGUPXSA-N 0 3 258.365 2.724 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(C)c(C#N)c2)CC[C@H]1C ZINC000599382445 350427395 /nfs/dbraw/zinc/42/73/95/350427395.db2.gz QYAZQFLLRPENPG-CJNGLKHVSA-N 0 3 258.365 2.724 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1C#N ZINC000599393434 350430484 /nfs/dbraw/zinc/43/04/84/350430484.db2.gz JGMNCLIYYDFXJQ-GOSISDBHSA-N 0 3 293.370 2.915 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000599529518 350451534 /nfs/dbraw/zinc/45/15/34/350451534.db2.gz NJRQLVXAPNBREI-CYBMUJFWSA-N 0 3 274.364 2.656 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H](c1ccccn1)C1CCC1 ZINC000599574154 350458672 /nfs/dbraw/zinc/45/86/72/350458672.db2.gz PJIXRBVLAIWKNE-HOCLYGCPSA-N 0 3 287.407 2.813 20 30 CFEDHN C=CCN(Cc1ccc(C)c(C#N)c1)[C@@H](C)COC ZINC000599462113 350441094 /nfs/dbraw/zinc/44/10/94/350441094.db2.gz MXZXAJAQCIASDI-AWEZNQCLSA-N 0 3 258.365 2.890 20 30 CFEDHN Cc1ccc(CN2CCC[C@](O)(C3CC3)C2)cc1C#N ZINC000599470959 350442527 /nfs/dbraw/zinc/44/25/27/350442527.db2.gz WGEQTJJVPZEZNQ-QGZVFWFLSA-N 0 3 270.376 2.604 20 30 CFEDHN C[C@@H](CN(C)[C@H](C)C(=O)N(C)CCC#N)C1CCCCC1 ZINC000599632984 350469170 /nfs/dbraw/zinc/46/91/70/350469170.db2.gz INWVMECDNBQZAB-LSDHHAIUSA-N 0 3 293.455 2.895 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599638867 350469715 /nfs/dbraw/zinc/46/97/15/350469715.db2.gz WWMDNYHJJSQLGS-TYILLQQXSA-N 0 3 282.453 2.692 20 30 CFEDHN CC(C)(C)OCCN1CCc2c(CC#N)cccc2C1 ZINC000599678219 350479715 /nfs/dbraw/zinc/47/97/15/350479715.db2.gz GXINQKSVSBTQEM-UHFFFAOYSA-N 0 3 272.392 2.926 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2cccc3n[nH]cc32)C1 ZINC000600176793 350532155 /nfs/dbraw/zinc/53/21/55/350532155.db2.gz GSKZIWQTCLPGGC-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN C=CCCCCNCc1cccc(C(=O)OCC)n1 ZINC000600150365 350521139 /nfs/dbraw/zinc/52/11/39/350521139.db2.gz YMYHVYQQBWHNHD-UHFFFAOYSA-N 0 3 262.353 2.704 20 30 CFEDHN N#CCCCCCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229306 350544327 /nfs/dbraw/zinc/54/43/27/350544327.db2.gz JBJWKSBALUBGPP-INIZCTEOSA-N 0 3 291.439 2.984 20 30 CFEDHN Cc1oc2ccccc2c1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600737118 350603661 /nfs/dbraw/zinc/60/36/61/350603661.db2.gz UDXRVRVSJKNDIO-ZDUSSCGKSA-N 0 3 284.359 2.886 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2cccc(C(F)(F)F)c2)CC1 ZINC000600713511 350600261 /nfs/dbraw/zinc/60/02/61/350600261.db2.gz AUAOJAWUJCTMAK-CYBMUJFWSA-N 0 3 298.308 2.850 20 30 CFEDHN CC(C#N)C(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000600811962 350616142 /nfs/dbraw/zinc/61/61/42/350616142.db2.gz GQRUQOXSMOHVFC-VIFPVBQESA-N 0 3 264.275 2.620 20 30 CFEDHN CN(CCN1CCCC1)c1ncc(C#N)c2ccsc21 ZINC000601114654 350672318 /nfs/dbraw/zinc/67/23/18/350672318.db2.gz UXQDNHYVWHBEBO-UHFFFAOYSA-N 0 3 286.404 2.700 20 30 CFEDHN CCN1CCCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000601229031 350703653 /nfs/dbraw/zinc/70/36/53/350703653.db2.gz CHZKGTSLSIHGDY-ZDUSSCGKSA-N 0 3 286.379 2.506 20 30 CFEDHN CC(=O)Nc1cccc(CNCC(C)(C)CC#N)c1 ZINC000601127633 350675915 /nfs/dbraw/zinc/67/59/15/350675915.db2.gz LVXYZRKOJGCKPN-UHFFFAOYSA-N 0 3 259.353 2.674 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCC23CC3)cc1 ZINC000601704915 350764996 /nfs/dbraw/zinc/76/49/96/350764996.db2.gz MYFIYRZZOITNIA-HOTGVXAUSA-N 0 3 293.370 2.689 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000601298223 350719033 /nfs/dbraw/zinc/71/90/33/350719033.db2.gz FITBQIMZCJJUMN-RSQPEXBXSA-N 0 3 262.328 2.914 20 30 CFEDHN N#CCCN1CCN([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000601316563 350723140 /nfs/dbraw/zinc/72/31/40/350723140.db2.gz MONDGRSLABMAFG-MSOLQXFVSA-N 0 3 283.419 2.854 20 30 CFEDHN C[C@H](C#N)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601726096 350768954 /nfs/dbraw/zinc/76/89/54/350768954.db2.gz FQCIISDYNAAZOX-WBVHZDCISA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1cccc(CN2CC[C@H](NC(=O)CC(C)(C)C#N)C2)c1 ZINC000601851670 350791902 /nfs/dbraw/zinc/79/19/02/350791902.db2.gz WATNOFRIIMGOQU-INIZCTEOSA-N 0 3 299.418 2.625 20 30 CFEDHN C[C@@H](C[C@@H]1CCOC1)NCc1cccc(F)c1C#N ZINC000602010792 350830385 /nfs/dbraw/zinc/83/03/85/350830385.db2.gz DRARVWPGPSMSFY-RYUDHWBXSA-N 0 3 262.328 2.602 20 30 CFEDHN CCC[C@H](CCO)CNCc1cccc(F)c1C#N ZINC000602011711 350830501 /nfs/dbraw/zinc/83/05/01/350830501.db2.gz PUIPZMAPEFUNCX-GFCCVEGCSA-N 0 3 264.344 2.586 20 30 CFEDHN CCC1(CNCc2cccc(F)c2C#N)CCOCC1 ZINC000602013450 350831312 /nfs/dbraw/zinc/83/13/12/350831312.db2.gz OTCBVLVAVNTUSN-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCOC2(CCC2)C1 ZINC000602013023 350831323 /nfs/dbraw/zinc/83/13/23/350831323.db2.gz SOKOHSZPQMXFAG-CYBMUJFWSA-N 0 3 274.339 2.889 20 30 CFEDHN CC(C)[C@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015803 350832085 /nfs/dbraw/zinc/83/20/85/350832085.db2.gz QQGABFHYKUFDAQ-CZUORRHYSA-N 0 3 276.355 2.991 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@H]1CCSC1 ZINC000602016803 350832289 /nfs/dbraw/zinc/83/22/89/350832289.db2.gz LXFBPTDTKSGSPT-SNVBAGLBSA-N 0 3 250.342 2.540 20 30 CFEDHN COCC1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602016874 350832381 /nfs/dbraw/zinc/83/23/81/350832381.db2.gz BBZGMVQBSVCHCB-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H](C1CC1)C1CCOCC1 ZINC000602016846 350832473 /nfs/dbraw/zinc/83/24/73/350832473.db2.gz AZGUYDOSIFFDAT-KRWDZBQOSA-N 0 3 288.366 2.992 20 30 CFEDHN C[C@]1(CNCc2cccc(F)c2C#N)CCO[C@@H]1C1CC1 ZINC000602017826 350833109 /nfs/dbraw/zinc/83/31/09/350833109.db2.gz RGOXAOGWIIRJIH-IAGOWNOFSA-N 0 3 288.366 2.992 20 30 CFEDHN CC(C)(CC#N)CNCc1ccc2nccnc2c1 ZINC000602018854 350833330 /nfs/dbraw/zinc/83/33/30/350833330.db2.gz CVHHKKWXAVUDPX-UHFFFAOYSA-N 0 3 254.337 2.659 20 30 CFEDHN CC[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602021397 350833814 /nfs/dbraw/zinc/83/38/14/350833814.db2.gz TUWKFHNNJDBBEV-STQMWFEESA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@@H]1CN(C[C@@H](C)CCC#N)CCN1CC(F)F ZINC000602479121 350899456 /nfs/dbraw/zinc/89/94/56/350899456.db2.gz FNICSJFRHADQLA-QWHCGFSZSA-N 0 3 273.371 2.588 20 30 CFEDHN C[C@H](CCC#N)CNc1cccc(OCCN(C)C)c1 ZINC000602493566 350905097 /nfs/dbraw/zinc/90/50/97/350905097.db2.gz WTWNOZTTXRZQQV-CQSZACIVSA-N 0 3 275.396 2.979 20 30 CFEDHN COC(=O)c1ccc2c(c1)CN(C[C@@H](C)CCC#N)CC2 ZINC000602595019 350939996 /nfs/dbraw/zinc/93/99/96/350939996.db2.gz FMGZYBLCBREXOO-ZDUSSCGKSA-N 0 3 286.375 2.771 20 30 CFEDHN N#Cc1cccc(CNCCCOCCc2ccccc2)n1 ZINC000602518038 350911973 /nfs/dbraw/zinc/91/19/73/350911973.db2.gz LOAWPESFTXDNKL-UHFFFAOYSA-N 0 3 295.386 2.692 20 30 CFEDHN CN(CCCNCc1cccc(C#N)n1)c1ccccc1F ZINC000602517950 350912540 /nfs/dbraw/zinc/91/25/40/350912540.db2.gz ICASUKBENUYOTB-UHFFFAOYSA-N 0 3 298.365 2.708 20 30 CFEDHN COc1ccc(OCCCNCc2cccc(C#N)n2)cc1 ZINC000602522448 350913746 /nfs/dbraw/zinc/91/37/46/350913746.db2.gz UZIVHMSXWKIFAT-UHFFFAOYSA-N 0 3 297.358 2.521 20 30 CFEDHN COc1ccccc1OCCCNCc1cccc(C#N)n1 ZINC000602538085 350917713 /nfs/dbraw/zinc/91/77/13/350917713.db2.gz USOFSPCUOYQTGV-UHFFFAOYSA-N 0 3 297.358 2.521 20 30 CFEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000602553306 350921778 /nfs/dbraw/zinc/92/17/78/350921778.db2.gz CRYOWUBEGJYAEO-DZGCQCFKSA-N 0 3 279.428 2.682 20 30 CFEDHN CS[C@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602551965 350922096 /nfs/dbraw/zinc/92/20/96/350922096.db2.gz QATXAGIDXDUYLS-RISCZKNCSA-N 0 3 261.394 2.717 20 30 CFEDHN C=CC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552462 350922161 /nfs/dbraw/zinc/92/21/61/350922161.db2.gz RVMVPZJOUJHIIJ-SECBINFHSA-N 0 3 261.281 2.790 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc(C)ccc1C ZINC000602557446 350923563 /nfs/dbraw/zinc/92/35/63/350923563.db2.gz JZYNNHCQBGAQOD-JKSUJKDBSA-N 0 3 287.407 2.892 20 30 CFEDHN COC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000602564126 350926211 /nfs/dbraw/zinc/92/62/11/350926211.db2.gz DWSNKEWRNMUHDN-NSHDSACASA-N 0 3 297.358 2.832 20 30 CFEDHN CCc1noc(CC)c1CNC1CCC(C#N)CC1 ZINC000602571662 350929202 /nfs/dbraw/zinc/92/92/02/350929202.db2.gz BKNPMGHYJASUCA-UHFFFAOYSA-N 0 3 261.369 2.971 20 30 CFEDHN CCC1(CC)[C@H](NCc2cccc(C#N)n2)C[C@@H]1OC ZINC000602572890 350929451 /nfs/dbraw/zinc/92/94/51/350929451.db2.gz UOJHJYDJSBZVGE-CABCVRRESA-N 0 3 273.380 2.637 20 30 CFEDHN Cc1cc(F)ccc1CCNCc1cccc(C#N)n1 ZINC000602574007 350930193 /nfs/dbraw/zinc/93/01/93/350930193.db2.gz PRHHCKIUWNSFBC-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000602577505 350931073 /nfs/dbraw/zinc/93/10/73/350931073.db2.gz PHSBQURXNSGIQA-IXDOHACOSA-N 0 3 299.418 2.850 20 30 CFEDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602580773 350932902 /nfs/dbraw/zinc/93/29/02/350932902.db2.gz GHNKRLYZPOOYRK-SJKOYZFVSA-N 0 3 299.349 2.958 20 30 CFEDHN C=C(C)CN(CC)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602430027 350878870 /nfs/dbraw/zinc/87/88/70/350878870.db2.gz UWYQPIJSRAXIRQ-UHFFFAOYSA-N 0 3 250.342 2.508 20 30 CFEDHN Cc1ccc(NC(=O)CN(C)C[C@H](C)CCC#N)cc1 ZINC000602431400 350879278 /nfs/dbraw/zinc/87/92/78/350879278.db2.gz CVXGGPYXSUPXHP-CQSZACIVSA-N 0 3 273.380 2.805 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(CCc2ccccc2)CC1 ZINC000602429506 350879337 /nfs/dbraw/zinc/87/93/37/350879337.db2.gz DSJAJBJDZHZCFP-KRWDZBQOSA-N 0 3 285.435 2.787 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(CCc2cccs2)CC1 ZINC000602438236 350882502 /nfs/dbraw/zinc/88/25/02/350882502.db2.gz CPUCWLVTQQJJIV-OAHLLOKOSA-N 0 3 291.464 2.848 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(CCC(C)(C)C)CC1 ZINC000602450528 350888125 /nfs/dbraw/zinc/88/81/25/350888125.db2.gz XRZKNQKOJAUQLY-HNNXBMFYSA-N 0 3 265.445 2.980 20 30 CFEDHN C=CCCCN(C)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602473376 350896315 /nfs/dbraw/zinc/89/63/15/350896315.db2.gz MPQGQBVMDNNHAI-UHFFFAOYSA-N 0 3 250.342 2.508 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(CO)cc1 ZINC000602641924 350958416 /nfs/dbraw/zinc/95/84/16/350958416.db2.gz VMPGBANCBOWTJV-GOSISDBHSA-N 0 3 278.355 2.828 20 30 CFEDHN C=CC[C@@H](CC)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602647116 350960774 /nfs/dbraw/zinc/96/07/74/350960774.db2.gz GNQMSIZZXVYDPY-GFCCVEGCSA-N 0 3 293.411 2.820 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CCC[C@@H]2CCO2)CC1 ZINC000602654023 350962569 /nfs/dbraw/zinc/96/25/69/350962569.db2.gz SJUISJVNPYIPSY-OAHLLOKOSA-N 0 3 285.391 2.508 20 30 CFEDHN CC1(C2CC2)CCN(Cc2cccc(C#N)n2)CC1 ZINC000602667677 350968506 /nfs/dbraw/zinc/96/85/06/350968506.db2.gz SFETXACIKOMMIG-UHFFFAOYSA-N 0 3 255.365 2.965 20 30 CFEDHN Cc1ccoc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602670201 350969438 /nfs/dbraw/zinc/96/94/38/350969438.db2.gz CJZFLMHDOPXXEU-CYBMUJFWSA-N 0 3 262.353 2.777 20 30 CFEDHN CCN(Cc1cccc(C#N)n1)[C@@H]1CCOC(C)(C)C1 ZINC000602671162 350970687 /nfs/dbraw/zinc/97/06/87/350970687.db2.gz RGUHMBIUDBTNHG-OAHLLOKOSA-N 0 3 273.380 2.733 20 30 CFEDHN C=CCC(C)(C)CNCc1cc(C(=O)OCC)no1 ZINC000602675450 350972990 /nfs/dbraw/zinc/97/29/90/350972990.db2.gz LAXASIUEWIVZPK-UHFFFAOYSA-N 0 3 266.341 2.543 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000602716155 350996410 /nfs/dbraw/zinc/99/64/10/350996410.db2.gz IVQSAIMFMJFATC-RHSMWYFYSA-N 0 3 285.391 2.734 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](C3CCC3)C2)n1 ZINC000602716192 350996629 /nfs/dbraw/zinc/99/66/29/350996629.db2.gz AKAWLLPLEGZZPC-AWEZNQCLSA-N 0 3 255.365 2.965 20 30 CFEDHN Cn1ncc(C(F)(F)F)c1CNC1CCC(C#N)CC1 ZINC000602721291 350999954 /nfs/dbraw/zinc/99/99/54/350999954.db2.gz PKJLCDGRVXXJKS-UHFFFAOYSA-N 0 3 286.301 2.611 20 30 CFEDHN C[C@H](CCC#N)CN1CCc2nc(C3CC3)ncc2C1 ZINC000602727506 351002223 /nfs/dbraw/zinc/00/22/23/351002223.db2.gz VOKCVDMUWIUVFD-GFCCVEGCSA-N 0 3 270.380 2.652 20 30 CFEDHN CC(C)O[C@H]1C[C@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602615502 350947228 /nfs/dbraw/zinc/94/72/28/350947228.db2.gz DHMHAZXXZHLEOH-GJZGRUSLSA-N 0 3 273.380 2.635 20 30 CFEDHN Cc1ccc2c(c1)nc(CNC[C@@H](C)CCC#N)n2C ZINC000602617180 350948300 /nfs/dbraw/zinc/94/83/00/350948300.db2.gz BCVVADGKYSXFFA-ZDUSSCGKSA-N 0 3 270.380 2.911 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)CC1(CC#N)CC1 ZINC000602773395 351020421 /nfs/dbraw/zinc/02/04/21/351020421.db2.gz PTXBTANTFNDARY-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN CN(CC1(CC#N)CC1)[C@@H](CCO)c1ccccc1 ZINC000602778987 351022410 /nfs/dbraw/zinc/02/24/10/351022410.db2.gz DSBSQDIHFQKLQY-HNNXBMFYSA-N 0 3 258.365 2.736 20 30 CFEDHN Cc1nn(C)cc1[C@@H]1CCCN1CC1(CC#N)CC1 ZINC000602788740 351026107 /nfs/dbraw/zinc/02/61/07/351026107.db2.gz QAJFRCGOPMDIEQ-AWEZNQCLSA-N 0 3 258.369 2.559 20 30 CFEDHN Cc1nn(C)cc1[C@H]1CCCN1CC1(CC#N)CC1 ZINC000602788741 351026486 /nfs/dbraw/zinc/02/64/86/351026486.db2.gz QAJFRCGOPMDIEQ-CQSZACIVSA-N 0 3 258.369 2.559 20 30 CFEDHN CC(C)n1cnnc1[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602795285 351028073 /nfs/dbraw/zinc/02/80/73/351028073.db2.gz HPWWMYNYAAXKNR-CQSZACIVSA-N 0 3 287.411 2.732 20 30 CFEDHN N#CCC1(CN2CCC(C3CCOCC3)CC2)CC1 ZINC000602801335 351030399 /nfs/dbraw/zinc/03/03/99/351030399.db2.gz PERVQMMLUPZYEJ-UHFFFAOYSA-N 0 3 262.397 2.819 20 30 CFEDHN CC(C)(O)CN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602802427 351031399 /nfs/dbraw/zinc/03/13/99/351031399.db2.gz RFMVXNXVMQODNM-UHFFFAOYSA-N 0 3 272.392 2.953 20 30 CFEDHN CN1CCN(CC2(CC#N)CC2)C[C@H]1Cc1ccccc1 ZINC000602827935 351039347 /nfs/dbraw/zinc/03/93/47/351039347.db2.gz PCTCVVCBSYRQGO-QGZVFWFLSA-N 0 3 283.419 2.539 20 30 CFEDHN N#CCC1(CN2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000602833340 351039880 /nfs/dbraw/zinc/03/98/80/351039880.db2.gz OWPQTADXFJBNRQ-INIZCTEOSA-N 0 3 281.403 2.817 20 30 CFEDHN N#CCC1(CN2CCC[C@@]3(CCSC3)C2)CC1 ZINC000602836418 351041223 /nfs/dbraw/zinc/04/12/23/351041223.db2.gz DBTBQRQTJIBMGD-CQSZACIVSA-N 0 3 250.411 2.899 20 30 CFEDHN N#CCC1(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000602838197 351042145 /nfs/dbraw/zinc/04/21/45/351042145.db2.gz BCDORIWSWCYFPG-LSDHHAIUSA-N 0 3 262.397 2.553 20 30 CFEDHN C[C@@H]1CN(CCCCC2CCOCC2)C[C@H](C)N1CC#N ZINC000602854380 351046420 /nfs/dbraw/zinc/04/64/20/351046420.db2.gz OKOLHGWRAWICJZ-IYBDPMFKSA-N 0 3 293.455 2.501 20 30 CFEDHN C[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602853563 351046475 /nfs/dbraw/zinc/04/64/75/351046475.db2.gz KIZVEGAYYOYCOT-CKEIUWERSA-N 0 3 269.392 2.592 20 30 CFEDHN C[C@@H](CCc1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859425 351048944 /nfs/dbraw/zinc/04/89/44/351048944.db2.gz YIMRAYGUODCXIB-YESZJQIVSA-N 0 3 285.435 2.926 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](n2ccnn2)CC1 ZINC000602889766 351058145 /nfs/dbraw/zinc/05/81/45/351058145.db2.gz VCQZSTRURCFRTH-PBHICJAKSA-N 0 3 295.390 2.938 20 30 CFEDHN CCN(CCC(C)(C)C#N)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602891841 351059405 /nfs/dbraw/zinc/05/94/05/351059405.db2.gz JQGPRYPLWALUEM-GFCCVEGCSA-N 0 3 291.361 2.885 20 30 CFEDHN CC(C)OCCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910996 351063150 /nfs/dbraw/zinc/06/31/50/351063150.db2.gz UQDQUXIFWJJLJX-UHFFFAOYSA-N 0 3 287.407 2.948 20 30 CFEDHN C[C@@]1(CN2CCN(CCC#N)CC2)C[C@H]1c1ccccc1 ZINC000602749127 351014048 /nfs/dbraw/zinc/01/40/48/351014048.db2.gz YFXTWPBDKOIQGY-ROUUACIJSA-N 0 3 283.419 2.711 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602981886 351083632 /nfs/dbraw/zinc/08/36/32/351083632.db2.gz KVHYMDJTNDBNQO-LSDHHAIUSA-N 0 3 275.396 2.711 20 30 CFEDHN CCC[C@@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603250918 351125158 /nfs/dbraw/zinc/12/51/58/351125158.db2.gz PUZLAMPEJKMPSM-OAHLLOKOSA-N 0 3 297.406 2.927 20 30 CFEDHN C[C@@H]1C[C@H](Nc2c(C#N)cnn2-c2ccccc2)CCN1C ZINC000603295768 351132827 /nfs/dbraw/zinc/13/28/27/351132827.db2.gz GMTVFTPZVONUAY-UKRRQHHQSA-N 0 3 295.390 2.639 20 30 CFEDHN C=CCCN(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000606896272 351300979 /nfs/dbraw/zinc/30/09/79/351300979.db2.gz FFPQJZXOHLMUSH-CQSZACIVSA-N 0 3 260.381 2.782 20 30 CFEDHN C=CCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000606897137 351301269 /nfs/dbraw/zinc/30/12/69/351301269.db2.gz UJEZPRCCTKLKFH-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN CC(C)N(CCn1ccccc1=O)Cc1ccc(C#N)cc1 ZINC000608788769 351470374 /nfs/dbraw/zinc/47/03/74/351470374.db2.gz XQKBTLDQHAKUJK-UHFFFAOYSA-N 0 3 295.386 2.631 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1ncc(C#N)cc1Cl ZINC000609840011 351521940 /nfs/dbraw/zinc/52/19/40/351521940.db2.gz YFCQKZFXQLBWME-GFCCVEGCSA-N 0 3 278.787 2.893 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NCc1cccc(C#N)c1 ZINC000610079907 351533770 /nfs/dbraw/zinc/53/37/70/351533770.db2.gz QDZAJLDPMIYWQS-UHFFFAOYSA-N 0 3 299.418 2.853 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000610150313 351535909 /nfs/dbraw/zinc/53/59/09/351535909.db2.gz JCHVEFVITAIZFI-WPRPVWTQSA-N 0 3 256.227 2.566 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000610279952 351548081 /nfs/dbraw/zinc/54/80/81/351548081.db2.gz YJMSYFAXJNOKKS-KOLCDFICSA-N 0 3 264.760 2.501 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCc2ccccc2C1 ZINC000609769890 351518990 /nfs/dbraw/zinc/51/89/90/351518990.db2.gz ZJDOESHYQQRUCL-GJZGRUSLSA-N 0 3 267.376 2.825 20 30 CFEDHN N#Cc1ccc(OC2CCN([C@H]3CCCOC3)CC2)cc1 ZINC000610570027 351582231 /nfs/dbraw/zinc/58/22/31/351582231.db2.gz PTGBSTKLFHVWPY-HNNXBMFYSA-N 0 3 286.375 2.580 20 30 CFEDHN CCC(C)(C)CCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610391133 351562579 /nfs/dbraw/zinc/56/25/79/351562579.db2.gz VAZGLPGXJYNMCR-HNNXBMFYSA-N 0 3 265.445 2.978 20 30 CFEDHN N#CCCCCNCc1ncccc1C(F)(F)F ZINC000611223107 351653411 /nfs/dbraw/zinc/65/34/11/351653411.db2.gz ABGPDJAGSAGGGL-UHFFFAOYSA-N 0 3 257.259 2.884 20 30 CFEDHN CC(C)CN(Cc1cn[nH]c1)Cc1ccc(C#N)cc1 ZINC000611257836 351658884 /nfs/dbraw/zinc/65/88/84/351658884.db2.gz BHLKPLFPPZAIME-UHFFFAOYSA-N 0 3 268.364 2.940 20 30 CFEDHN CS[C@H]1CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000610947132 351623438 /nfs/dbraw/zinc/62/34/38/351623438.db2.gz ZWSONTIOWKXBCU-STQMWFEESA-N 0 3 250.342 2.681 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993054 351630378 /nfs/dbraw/zinc/63/03/78/351630378.db2.gz AWLPURXFWUUNBE-CABCVRRESA-N 0 3 273.380 2.589 20 30 CFEDHN CCC(=O)N1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393275 351681234 /nfs/dbraw/zinc/68/12/34/351681234.db2.gz ALTQPBSAHQHIML-RDJZCZTQSA-N 0 3 297.402 2.536 20 30 CFEDHN C[C@H](N[C@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000611465888 351692990 /nfs/dbraw/zinc/69/29/90/351692990.db2.gz DMPNOAILZHBPNE-HZMBPMFUSA-N 0 3 262.328 2.509 20 30 CFEDHN CC(C)N(CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000611290101 351664162 /nfs/dbraw/zinc/66/41/62/351664162.db2.gz ZIIGQFPQNSECAD-KRWDZBQOSA-N 0 3 271.408 2.885 20 30 CFEDHN C[C@@H](CN(C)Cc1ccnc(C#N)c1)c1nccs1 ZINC000612187867 351786417 /nfs/dbraw/zinc/78/64/17/351786417.db2.gz JJXFQIPMOQUSFH-NSHDSACASA-N 0 3 272.377 2.645 20 30 CFEDHN CO[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000611984110 351758659 /nfs/dbraw/zinc/75/86/59/351758659.db2.gz IROGEDFXHAPKMR-LBPRGKRZSA-N 0 3 250.367 2.621 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000612061104 351767294 /nfs/dbraw/zinc/76/72/94/351767294.db2.gz NPCWQZHRHYMQLE-KRWDZBQOSA-N 0 3 292.386 2.922 20 30 CFEDHN C[C@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C#N)c1 ZINC000612417012 351818558 /nfs/dbraw/zinc/81/85/58/351818558.db2.gz MEFNOORNZAFGMV-NSHDSACASA-N 0 3 292.342 2.991 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CC2CCC(C)CC2)CC1 ZINC000612450077 351823114 /nfs/dbraw/zinc/82/31/14/351823114.db2.gz XDHGGJLMKVNDFE-JCYILVPMSA-N 0 3 277.456 2.978 20 30 CFEDHN C=C(C)COc1cc(CNC[C@@H](O)CC)ccc1OC ZINC000291755301 198081632 /nfs/dbraw/zinc/08/16/32/198081632.db2.gz QQJYDYQBFWWHIS-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN C#CCCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000291756847 198082018 /nfs/dbraw/zinc/08/20/18/198082018.db2.gz KXQVSWIBDFSOFX-SFHVURJKSA-N 0 3 287.403 2.854 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000123739659 187107263 /nfs/dbraw/zinc/10/72/63/187107263.db2.gz HEEGWWIECFSPTE-CZUORRHYSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccccc1C#N ZINC000123780398 187108372 /nfs/dbraw/zinc/10/83/72/187108372.db2.gz ABVDURCLRUDEMF-XJKSGUPXSA-N 0 3 258.365 2.684 20 30 CFEDHN COc1ccc(CN2CCCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000123901871 187114018 /nfs/dbraw/zinc/11/40/18/187114018.db2.gz PCMMVDQHFUZNRZ-XJKSGUPXSA-N 0 3 288.391 2.692 20 30 CFEDHN COc1cccc2c1OCC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000613666841 351995272 /nfs/dbraw/zinc/99/52/72/351995272.db2.gz GETASFOEJUUFBO-BZPMIXESSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000613666864 351995296 /nfs/dbraw/zinc/99/52/96/351995296.db2.gz PXZOTRAJMBHLRU-HOSYDEDBSA-N 0 3 270.336 2.611 20 30 CFEDHN CO[C@]1(C(F)(F)F)CCCN(CCCSCC#N)C1 ZINC000614925042 352132621 /nfs/dbraw/zinc/13/26/21/352132621.db2.gz SRPZHPODMBCVBT-LLVKDONJSA-N 0 3 296.358 2.677 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000614397420 352089314 /nfs/dbraw/zinc/08/93/14/352089314.db2.gz SDUWIKUNVYPSIC-KRWDZBQOSA-N 0 3 280.375 2.900 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCN(c2ccncc2)CC1 ZINC000614402508 352090235 /nfs/dbraw/zinc/09/02/35/352090235.db2.gz HMVZUJGWJREXDL-UHFFFAOYSA-N 0 3 292.386 2.584 20 30 CFEDHN Cc1ccccc1[C@H](CO)NCc1ccc(C#N)cc1C ZINC000614406851 352091106 /nfs/dbraw/zinc/09/11/06/352091106.db2.gz CCYVXOSTJPIPST-SFHVURJKSA-N 0 3 280.371 2.998 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)cc1F)C1CCCC1 ZINC000615085940 352152529 /nfs/dbraw/zinc/15/25/29/352152529.db2.gz VQMYNELXJRWXSM-MRXNPFEDSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2ccc(OC)cc21 ZINC000311726758 539850154 /nfs/dbraw/zinc/85/01/54/539850154.db2.gz NLTBSDHPCBIDCG-INIZCTEOSA-N 0 3 261.365 2.865 20 30 CFEDHN COC1(CN2CCC[C@@](C)(C#N)C2)CCCCC1 ZINC000616731756 352426174 /nfs/dbraw/zinc/42/61/74/352426174.db2.gz DYYKCKYUUXXVKH-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN CCn1ccc(CN(C)CCCSCC#N)c1 ZINC000616786094 352429098 /nfs/dbraw/zinc/42/90/98/352429098.db2.gz HAEKVUVMJXVHLI-UHFFFAOYSA-N 0 3 251.399 2.587 20 30 CFEDHN N#Cc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292075397 198154442 /nfs/dbraw/zinc/15/44/42/198154442.db2.gz FBPCVQJYUXIZMN-QGZVFWFLSA-N 0 3 270.376 2.807 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCC1 ZINC000617345086 352546407 /nfs/dbraw/zinc/54/64/07/352546407.db2.gz WZGYJQXBUXAOAB-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](CO)CC(F)F ZINC000617585455 352598903 /nfs/dbraw/zinc/59/89/03/352598903.db2.gz HRAIMGNSKMMFKX-OCCSQVGLSA-N 0 3 280.318 2.541 20 30 CFEDHN C=CCCC1(CNC(=O)C2CCN(C)CC2)CCCC1 ZINC000617417246 352561657 /nfs/dbraw/zinc/56/16/57/352561657.db2.gz RDPSOVSSDLTYRM-UHFFFAOYSA-N 0 3 278.440 2.971 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccnc(C#N)c2)[C@H](C)[C@H]1OC ZINC000617549870 352579375 /nfs/dbraw/zinc/57/93/75/352579375.db2.gz IWUZSFJXGFGXHG-APHBMKBZSA-N 0 3 287.407 2.883 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC000617785903 352646320 /nfs/dbraw/zinc/64/63/20/352646320.db2.gz PENPSVOYBJIAHY-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN CC[C@@H](NCc1cc(C)[nH]n1)c1ccc(C#N)cc1 ZINC000618569239 352813069 /nfs/dbraw/zinc/81/30/69/352813069.db2.gz VMTVMCOTTSJYPJ-OAHLLOKOSA-N 0 3 254.337 2.831 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](n3ccnc3)C2)ccc1C#N ZINC000618593631 352827417 /nfs/dbraw/zinc/82/74/17/352827417.db2.gz FCKYYCGFCUECGS-QGZVFWFLSA-N 0 3 280.375 2.900 20 30 CFEDHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000618808229 352885198 /nfs/dbraw/zinc/88/51/98/352885198.db2.gz ZVELIYLHEPRPTC-IRXDYDNUSA-N 0 3 292.386 2.946 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)C[C@H]1c1ccccc1 ZINC000618887214 352904556 /nfs/dbraw/zinc/90/45/56/352904556.db2.gz MBYVYIQZMZNDBQ-WBVHZDCISA-N 0 3 271.408 2.915 20 30 CFEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000619465956 353027505 /nfs/dbraw/zinc/02/75/05/353027505.db2.gz NZQDYALTVJTFKS-IRXDYDNUSA-N 0 3 292.386 2.946 20 30 CFEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619465954 353027655 /nfs/dbraw/zinc/02/76/55/353027655.db2.gz NZQDYALTVJTFKS-DLBZAZTESA-N 0 3 292.386 2.946 20 30 CFEDHN Cc1cc(CN2CC(C3CCOCC3)C2)ccc1C#N ZINC000619726574 353060711 /nfs/dbraw/zinc/06/07/11/353060711.db2.gz JYCJKNVOEMMLES-UHFFFAOYSA-N 0 3 270.376 2.725 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1C ZINC000619781554 353066464 /nfs/dbraw/zinc/06/64/64/353066464.db2.gz KRBHVXNQICCHLP-STQMWFEESA-N 0 3 274.364 2.544 20 30 CFEDHN C[C@H](CN1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C ZINC000619844080 353068231 /nfs/dbraw/zinc/06/82/31/353068231.db2.gz OQQRLDQQIFAXJZ-CQSZACIVSA-N 0 3 286.423 2.757 20 30 CFEDHN N#Cc1ccc(OCCN[C@@H]2CCCc3cccnc32)cc1 ZINC000619611327 353040573 /nfs/dbraw/zinc/04/05/73/353040573.db2.gz OGLNBUWOMMHRSR-QGZVFWFLSA-N 0 3 293.370 2.999 20 30 CFEDHN C#CCSCCNCc1c(C)nn(-c2ccccc2)c1C ZINC000152946322 188054752 /nfs/dbraw/zinc/05/47/52/188054752.db2.gz LNEMDMVGGHBYFP-UHFFFAOYSA-N 0 3 299.443 2.945 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)F)C(C)C ZINC000153225903 188071584 /nfs/dbraw/zinc/07/15/84/188071584.db2.gz JOUUKPAQOBWFHN-ZDUSSCGKSA-N 0 3 270.392 2.549 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153321527 188076098 /nfs/dbraw/zinc/07/60/98/188076098.db2.gz PAKNZLFPTPRMHU-INIZCTEOSA-N 0 3 290.363 2.886 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccccc1 ZINC000154263176 188132891 /nfs/dbraw/zinc/13/28/91/188132891.db2.gz QODHROHPWCRVBN-CQSZACIVSA-N 0 3 260.381 2.762 20 30 CFEDHN C=C[C@H](CC(=O)N1C[C@@H](CC)N[C@@H](C)C1)c1ccccc1 ZINC000620902339 353247792 /nfs/dbraw/zinc/24/77/92/353247792.db2.gz SXSKBOXWLLWHCO-ZMSDIMECSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155651261 188219753 /nfs/dbraw/zinc/21/97/53/188219753.db2.gz BVUWIOZHWUUTJC-GFCCVEGCSA-N 0 3 264.325 2.838 20 30 CFEDHN C=CC[C@H](C(=O)N1CCN[C@H](C(C)C)C1)c1ccccc1 ZINC000621156980 353288863 /nfs/dbraw/zinc/28/88/63/353288863.db2.gz MABCPSLCMNBQKM-IRXDYDNUSA-N 0 3 286.419 2.803 20 30 CFEDHN N#Cc1cccc(NC(=O)CN(C2CCC2)C2CCC2)c1 ZINC000292477707 198303004 /nfs/dbraw/zinc/30/30/04/198303004.db2.gz RXSBHFXVGZPWTF-UHFFFAOYSA-N 0 3 283.375 2.904 20 30 CFEDHN COc1cccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000271681446 191274151 /nfs/dbraw/zinc/27/41/51/191274151.db2.gz OYJSQINNSPZYQK-UGSOOPFHSA-N 0 3 296.370 2.951 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccnn1CCc1ccccc1 ZINC000621360014 353335751 /nfs/dbraw/zinc/33/57/51/353335751.db2.gz BTTDGCVLDVLRIA-QGZVFWFLSA-N 0 3 299.418 2.543 20 30 CFEDHN C=C(C)COCCNCc1ccnn1CCc1ccccc1 ZINC000621341051 353329134 /nfs/dbraw/zinc/32/91/34/353329134.db2.gz ZVCTYCJKNCXBHN-UHFFFAOYSA-N 0 3 299.418 2.808 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000158120036 188358347 /nfs/dbraw/zinc/35/83/47/188358347.db2.gz PLSYJZAUYDDHSM-UHFFFAOYSA-N 0 3 268.364 2.750 20 30 CFEDHN CCCCCN(CCCOC)Cc1ccc(C#N)cn1 ZINC000566417250 290381033 /nfs/dbraw/zinc/38/10/33/290381033.db2.gz WOVDBQBQUHWNLB-UHFFFAOYSA-N 0 3 275.396 2.982 20 30 CFEDHN C=CC(C)(C)CCNCc1cnnn1-c1ccccc1 ZINC000623593118 353680439 /nfs/dbraw/zinc/68/04/39/353680439.db2.gz UEKRDZIJRXQPEV-UHFFFAOYSA-N 0 3 270.380 2.959 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccsc1Br ZINC000623483640 353654468 /nfs/dbraw/zinc/65/44/68/353654468.db2.gz MTABVBGHTIPMBA-VIFPVBQESA-N 0 3 290.226 2.785 20 30 CFEDHN C=CCOc1cccc(CNCCN(C)CC(F)F)c1 ZINC000623830203 353733745 /nfs/dbraw/zinc/73/37/45/353733745.db2.gz DPFDGZACHZFLKH-UHFFFAOYSA-N 0 3 284.350 2.538 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623927999 353762239 /nfs/dbraw/zinc/76/22/39/353762239.db2.gz AUYRIQWQPHYSPA-LSDHHAIUSA-N 0 3 299.418 2.922 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000624326775 353862775 /nfs/dbraw/zinc/86/27/75/353862775.db2.gz UUZSGLINHMCWNV-ILXRZTDVSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000625699920 354087727 /nfs/dbraw/zinc/08/77/27/354087727.db2.gz DZYLJVCHHMCIAZ-KBPBESRZSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CC[C@@H]1CCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000625701992 354090181 /nfs/dbraw/zinc/09/01/81/354090181.db2.gz DCTORKBKGVSTEP-CYBMUJFWSA-N 0 3 283.375 2.776 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cn(C)nc2C(F)F)C1 ZINC000625704328 354091131 /nfs/dbraw/zinc/09/11/31/354091131.db2.gz XTKIKVKHRYCQIU-SNVBAGLBSA-N 0 3 255.312 2.756 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000625705615 354092669 /nfs/dbraw/zinc/09/26/69/354092669.db2.gz WDLBKTRIMQOPCJ-ZDUSSCGKSA-N 0 3 259.349 2.856 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1cccc(C)c1)C(C)C ZINC000625984051 354160210 /nfs/dbraw/zinc/16/02/10/354160210.db2.gz JPGZCKKUOIRVJI-ZBFHGGJFSA-N 0 3 274.408 2.972 20 30 CFEDHN C#CC[C@H](NCCN1CCCCC1)c1ccccc1 ZINC000271739543 191299966 /nfs/dbraw/zinc/29/99/66/191299966.db2.gz VAYZMNAPPXGOEI-KRWDZBQOSA-N 0 3 256.393 2.827 20 30 CFEDHN C=CCC[C@@H](NCC(=O)N1CCC1)c1ccccc1 ZINC000271753668 191306971 /nfs/dbraw/zinc/30/69/71/191306971.db2.gz UBBYOOURZPYZKO-OAHLLOKOSA-N 0 3 258.365 2.516 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000628406349 354580275 /nfs/dbraw/zinc/58/02/75/354580275.db2.gz HYJBRQHSHULGQR-OAHLLOKOSA-N 0 3 282.391 2.724 20 30 CFEDHN N#CC1(CCN2CCOCC3(CC3)C2)CCCCC1 ZINC000334542889 283045650 /nfs/dbraw/zinc/04/56/50/283045650.db2.gz JQCPYZLYBYBHPD-UHFFFAOYSA-N 0 3 262.397 2.963 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCN(CC3CCCCC3)CC2)C1 ZINC000335909798 283058147 /nfs/dbraw/zinc/05/81/47/283058147.db2.gz XIPJZAVKTFZWPD-IAGOWNOFSA-N 0 3 275.440 2.877 20 30 CFEDHN C=C[C@H](CC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000271772535 191317426 /nfs/dbraw/zinc/31/74/26/191317426.db2.gz AOCNLRXHMSDCRE-MRXNPFEDSA-N 0 3 284.403 2.724 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000630739416 355165082 /nfs/dbraw/zinc/16/50/82/355165082.db2.gz WQPFOTUDNZSUJJ-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN COC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000271807358 191338608 /nfs/dbraw/zinc/33/86/08/191338608.db2.gz NRLFLEKPNMHOFK-ROUUACIJSA-N 0 3 296.370 2.569 20 30 CFEDHN CC(C)(C)OCCNC1(c2cccc(C#N)c2)CC1 ZINC000271862089 191373400 /nfs/dbraw/zinc/37/34/00/191373400.db2.gz ZRMSPVGJBASUMX-UHFFFAOYSA-N 0 3 258.365 2.952 20 30 CFEDHN C=CCN1CCC(Nc2cc(CCCC)ncn2)CC1 ZINC000631109174 355296450 /nfs/dbraw/zinc/29/64/50/355296450.db2.gz MSKIVNQBMCECQG-UHFFFAOYSA-N 0 3 274.412 2.882 20 30 CFEDHN C=C1CC(C)(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000631144913 355314175 /nfs/dbraw/zinc/31/41/75/355314175.db2.gz WDWIZSYXNWFMGV-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CCC)CCO ZINC000631197124 355344230 /nfs/dbraw/zinc/34/42/30/355344230.db2.gz SUCJUXNAADDFQZ-HNNXBMFYSA-N 0 3 263.381 2.892 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](CO)C2)cc1Cl ZINC000631198258 355346484 /nfs/dbraw/zinc/34/64/84/355346484.db2.gz GPEQQZZNMBMKOW-BETUJISGSA-N 0 3 281.783 2.765 20 30 CFEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C3CCOCC3)[n-]2)C1 ZINC000631214196 355353851 /nfs/dbraw/zinc/35/38/51/355353851.db2.gz SZWXQCFRSRFFPF-GXTWGEPZSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000631214196 355353853 /nfs/dbraw/zinc/35/38/53/355353853.db2.gz SZWXQCFRSRFFPF-GXTWGEPZSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](CC)c1cccc(OC)c1OC ZINC000631616681 355515687 /nfs/dbraw/zinc/51/56/87/355515687.db2.gz UWTZIHKAJRFOIO-GXTWGEPZSA-N 0 3 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CCC[C@H](C)CN1CCN(c2ncccc2C#N)CC1 ZINC000179640857 189209758 /nfs/dbraw/zinc/20/97/58/189209758.db2.gz BRZFENAMDIOBPG-AWEZNQCLSA-N 0 3 272.396 2.511 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000180030247 189232961 /nfs/dbraw/zinc/23/29/61/189232961.db2.gz MJDDXEWKSRJHIN-DJSGYFEHSA-N 0 3 292.810 2.929 20 30 CFEDHN N#Cc1ccc(CN(CC2=CCCOC2)C2CC2)cc1 ZINC000180030573 189233071 /nfs/dbraw/zinc/23/30/71/189233071.db2.gz IUAJGFYUDKASRZ-UHFFFAOYSA-N 0 3 268.360 2.869 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000180030210 189233155 /nfs/dbraw/zinc/23/31/55/189233155.db2.gz MJDDXEWKSRJHIN-DIOULYMOSA-N 0 3 292.810 2.929 20 30 CFEDHN C=CCN(CCOC)CCOC1CCCCCC1 ZINC000362045910 540985268 /nfs/dbraw/zinc/98/52/68/540985268.db2.gz FQYZWQCUHCJFGY-UHFFFAOYSA-N 0 3 255.402 2.860 20 30 CFEDHN Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)c(CN(C)C)c1 ZINC000181904364 189309434 /nfs/dbraw/zinc/30/94/34/189309434.db2.gz OJWSQYAEQXJGGS-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN CN(CCNc1ccc(C#N)nc1)Cc1ccc(F)cc1 ZINC000301531673 201052543 /nfs/dbraw/zinc/05/25/43/201052543.db2.gz HWVZNLABKOBRFX-UHFFFAOYSA-N 0 3 284.338 2.636 20 30 CFEDHN C[C@@H]1CCCN(CCNc2ccc(F)cc2C#N)C1 ZINC000301544311 201061576 /nfs/dbraw/zinc/06/15/76/201061576.db2.gz SVJKWULDKQRHII-GFCCVEGCSA-N 0 3 261.344 2.841 20 30 CFEDHN C=C[C@@](C)(O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000666301689 541082085 /nfs/dbraw/zinc/08/20/85/541082085.db2.gz VSWAUBOFNUVCMD-QGZVFWFLSA-N 0 3 288.391 2.548 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCCN(C)C1 ZINC000302078577 201334623 /nfs/dbraw/zinc/33/46/23/201334623.db2.gz BAZNISPWKGLXRT-AWEZNQCLSA-N 0 3 271.364 2.515 20 30 CFEDHN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000443637077 241079433 /nfs/dbraw/zinc/07/94/33/241079433.db2.gz FHZXNHBQTAKFSQ-KBPBESRZSA-N 0 3 285.391 2.865 20 30 CFEDHN Cc1cc(CN[C@@H](C)COCC(F)(F)F)ccc1C#N ZINC000443964088 241098690 /nfs/dbraw/zinc/09/86/90/241098690.db2.gz IULTWMCZBDALBU-NSHDSACASA-N 0 3 286.297 2.924 20 30 CFEDHN Cc1cc(CN[C@@H](CO)Cc2ccc(F)cc2)ccc1C#N ZINC000443987561 241102939 /nfs/dbraw/zinc/10/29/39/241102939.db2.gz JWNFPTZIZYTRIE-GOSISDBHSA-N 0 3 298.361 2.699 20 30 CFEDHN CCC(CC)[C@H](O)CNCc1ccc(C#N)c(C)c1 ZINC000443997410 241105107 /nfs/dbraw/zinc/10/51/07/241105107.db2.gz QOSNROGPAGWPHY-MRXNPFEDSA-N 0 3 260.381 2.753 20 30 CFEDHN Cc1cc(CNc2cc(CN(C)C)ccn2)ccc1C#N ZINC000446810385 241327635 /nfs/dbraw/zinc/32/76/35/241327635.db2.gz XTYCTIVOGDGYQE-UHFFFAOYSA-N 0 3 280.375 2.935 20 30 CFEDHN Cn1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC000449532860 242009249 /nfs/dbraw/zinc/00/92/49/242009249.db2.gz DRLDUCCZWCTBFQ-JKSUJKDBSA-N 0 3 255.365 2.517 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OC)cc1Cl ZINC000449698815 260812197 /nfs/dbraw/zinc/81/21/97/260812197.db2.gz OVEPGGMFXUFCCH-LBPRGKRZSA-N 0 3 269.772 2.765 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000449738167 242126782 /nfs/dbraw/zinc/12/67/82/242126782.db2.gz ZKAKKYGFIUZVSQ-KNXALSJPSA-N 0 3 288.366 2.991 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000449781011 242156775 /nfs/dbraw/zinc/15/67/75/242156775.db2.gz WPOBVPUHSBNFBU-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN N#Cc1ccccc1OCCN[C@H]1CCc2c1cccc2O ZINC000451181920 242761447 /nfs/dbraw/zinc/76/14/47/242761447.db2.gz VSMARBOJRHZFKX-INIZCTEOSA-N 0 3 294.354 2.920 20 30 CFEDHN COC(=O)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000265565998 284010384 /nfs/dbraw/zinc/01/03/84/284010384.db2.gz WAFHPXWBHRZHRW-IUODEOHRSA-N 0 3 272.348 2.504 20 30 CFEDHN CC(C)[C@H](NCc1nc(C#N)cs1)C1(CO)CCCC1 ZINC000453608245 243617403 /nfs/dbraw/zinc/61/74/03/243617403.db2.gz DRIVXEDDLWWVGA-AWEZNQCLSA-N 0 3 293.436 2.682 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H]1CCCC[C@H]1O ZINC000574330419 335011035 /nfs/dbraw/zinc/01/10/35/335011035.db2.gz VPCUARNUPFIBAE-GDBMZVCRSA-N 0 3 263.381 2.861 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000276346145 193294475 /nfs/dbraw/zinc/29/44/75/193294475.db2.gz CVPHISZVQYFYPJ-GJZGRUSLSA-N 0 3 274.408 2.803 20 30 CFEDHN C=CCC[C@H](NCCCN1CCCC1=O)c1ccco1 ZINC000276488805 193352520 /nfs/dbraw/zinc/35/25/20/193352520.db2.gz UFSYZFSOGWJATD-AWEZNQCLSA-N 0 3 276.380 2.889 20 30 CFEDHN C=CCC[C@@H](NCCCN1CCCC1=O)c1ccco1 ZINC000276488809 193352546 /nfs/dbraw/zinc/35/25/46/193352546.db2.gz UFSYZFSOGWJATD-CQSZACIVSA-N 0 3 276.380 2.889 20 30 CFEDHN CC(C)O[C@@H]1C[C@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000276598949 193396265 /nfs/dbraw/zinc/39/62/65/193396265.db2.gz FVXXGDAEKUBCLD-LSDHHAIUSA-N 0 3 275.396 2.578 20 30 CFEDHN CC(C)OC1CC(N(C)Cc2cccc(C#N)c2)C1 ZINC000459305076 245131147 /nfs/dbraw/zinc/13/11/47/245131147.db2.gz ZFQQICTUPDUKCI-UHFFFAOYSA-N 0 3 258.365 2.946 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000459475152 245191416 /nfs/dbraw/zinc/19/14/16/245191416.db2.gz KNKKPKORCTYRGU-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN CCc1ccc(CN(CC#CCOC)C2CC2)cc1 ZINC000677133422 541826257 /nfs/dbraw/zinc/82/62/57/541826257.db2.gz UWQKNAUJXXLJKM-UHFFFAOYSA-N 0 3 257.377 2.863 20 30 CFEDHN CCN1CCN(CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000677191440 541833853 /nfs/dbraw/zinc/83/38/53/541833853.db2.gz GQAVRZJIIVARCG-AWEZNQCLSA-N 0 3 276.811 2.718 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459768738 245314244 /nfs/dbraw/zinc/31/42/44/245314244.db2.gz QQSPZHOLKRCSGL-HZPDHXFCSA-N 0 3 286.375 2.614 20 30 CFEDHN CC[C@@H]1CCCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000331967363 204344848 /nfs/dbraw/zinc/34/48/48/204344848.db2.gz JITOPYSNKALNHU-QGZVFWFLSA-N 0 3 299.418 2.829 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)[C@H]1CCCOC1 ZINC000677477527 541864510 /nfs/dbraw/zinc/86/45/10/541864510.db2.gz KGKRDAYKMNZVIJ-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN CCCN(CC#CCOC)[C@H]1C[C@H](OCC)C1(C)C ZINC000677480791 541863426 /nfs/dbraw/zinc/86/34/26/541863426.db2.gz VLRHDCPYAIEUFF-GJZGRUSLSA-N 0 3 267.413 2.552 20 30 CFEDHN COCC#CCNC(C)(C)c1ccc(Cl)cc1 ZINC000677480230 541865619 /nfs/dbraw/zinc/86/56/19/541865619.db2.gz VRCKUFIAJWUITH-UHFFFAOYSA-N 0 3 251.757 2.815 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000677479806 541865764 /nfs/dbraw/zinc/86/57/64/541865764.db2.gz RTGSQVMPXSZOIX-HOTGVXAUSA-N 0 3 299.418 2.842 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Nc2cccc(C)c2)CC1 ZINC000677478513 541865770 /nfs/dbraw/zinc/86/57/70/541865770.db2.gz DJCBKTKLPADJME-KRWDZBQOSA-N 0 3 274.408 2.808 20 30 CFEDHN COCC#CCN(Cc1ccccc1)CC1CCC1 ZINC000677478476 541865317 /nfs/dbraw/zinc/86/53/17/541865317.db2.gz ZLCQUJDNKJPNJE-UHFFFAOYSA-N 0 3 257.377 2.939 20 30 CFEDHN C[C@@H](NCC1(CO)CCC1)c1ccc(C#N)cc1F ZINC000332503820 204761098 /nfs/dbraw/zinc/76/10/98/204761098.db2.gz XNQXTLBTFWYPFJ-LLVKDONJSA-N 0 3 262.328 2.511 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000034674077 372511894 /nfs/dbraw/zinc/51/18/94/372511894.db2.gz VGHRRFXEXCMBSD-GOSISDBHSA-N 0 3 278.355 2.650 20 30 CFEDHN C=CCC[C@@H](O)CN(CCOC)Cc1cccs1 ZINC000036096556 372558981 /nfs/dbraw/zinc/55/89/81/372558981.db2.gz PTQBXFVZWJTOEF-CYBMUJFWSA-N 0 3 269.410 2.524 20 30 CFEDHN CC[C@H](C)N(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000037113078 372651015 /nfs/dbraw/zinc/65/10/15/372651015.db2.gz VKQZMGYYDWHNPV-LBPRGKRZSA-N 0 3 259.353 2.617 20 30 CFEDHN CN1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000037306426 372665114 /nfs/dbraw/zinc/66/51/14/372665114.db2.gz JXZPQYRGEPQIOK-UHFFFAOYSA-N 0 3 283.297 2.719 20 30 CFEDHN C=CCOc1ccc(CNCCC(=O)N[C@H](C)CC)cc1 ZINC000037997145 372756390 /nfs/dbraw/zinc/75/63/90/372756390.db2.gz GISCFXJSGPQGPG-CQSZACIVSA-N 0 3 290.407 2.646 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)ccc1F ZINC000451701389 383685059 /nfs/dbraw/zinc/68/50/59/383685059.db2.gz ZXFNEUFIBRVKBV-FMKPAKJESA-N 0 3 288.366 2.680 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)n2C)n1 ZINC000041518007 372845095 /nfs/dbraw/zinc/84/50/95/372845095.db2.gz WHRGDIBUALQUQJ-JTQLQIEISA-N 0 3 259.334 2.589 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(C)(C)C)C(C)C ZINC000047633536 373109962 /nfs/dbraw/zinc/10/99/62/373109962.db2.gz PPFZACWIFJNUTH-AWEZNQCLSA-N 0 3 266.429 2.847 20 30 CFEDHN C[C@@H](C#N)CNC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000054181689 373504852 /nfs/dbraw/zinc/50/48/52/373504852.db2.gz ONRLQYSYZTTXFI-FUDCBSFHSA-N 0 3 293.411 2.666 20 30 CFEDHN Cc1occc1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000057379177 373591425 /nfs/dbraw/zinc/59/14/25/373591425.db2.gz ICVAUNNLEVKBCT-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1CC(C)(C)C ZINC000057862999 373615853 /nfs/dbraw/zinc/61/58/53/373615853.db2.gz TZVNSAFVYUEWSO-LSDHHAIUSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640060198 383693845 /nfs/dbraw/zinc/69/38/45/383693845.db2.gz ATUJOLXTDLWMHH-PWSUYJOCSA-N 0 3 276.336 2.511 20 30 CFEDHN COc1ccc(CNCC[C@@H](O)c2ccccc2)cc1C#N ZINC000289543647 197397095 /nfs/dbraw/zinc/39/70/95/197397095.db2.gz WYKSIWHUJQDSIJ-QGZVFWFLSA-N 0 3 296.370 2.780 20 30 CFEDHN C[C@@H](NCCc1nccs1)c1ccc(C#N)cc1 ZINC000063133402 373785872 /nfs/dbraw/zinc/78/58/72/373785872.db2.gz VGWVOZKFTQJDOE-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccccc1 ZINC000066212631 373920942 /nfs/dbraw/zinc/92/09/42/373920942.db2.gz MMDQOFYOGYLMCS-CQSZACIVSA-N 0 3 258.365 2.538 20 30 CFEDHN C=CCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000068253589 374024132 /nfs/dbraw/zinc/02/41/32/374024132.db2.gz JZCGEBFRKKKKLY-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CCCC#N ZINC000067443848 373978102 /nfs/dbraw/zinc/97/81/02/373978102.db2.gz YAPHFRBLMFONQY-ZDUSSCGKSA-N 0 3 269.352 2.564 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431759605 383696058 /nfs/dbraw/zinc/69/60/58/383696058.db2.gz PLVUFWHOMRUEDX-ZBFHGGJFSA-N 0 3 291.439 2.792 20 30 CFEDHN COCCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000069679660 374085464 /nfs/dbraw/zinc/08/54/64/374085464.db2.gz YWHBLBJTYNABJQ-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN C=CCOc1ccccc1CNCCOCC(F)(F)F ZINC000070167173 374133464 /nfs/dbraw/zinc/13/34/64/374133464.db2.gz IXAPNZCZHXNOOS-UHFFFAOYSA-N 0 3 289.297 2.920 20 30 CFEDHN CC1(C)CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000070259030 374156571 /nfs/dbraw/zinc/15/65/71/374156571.db2.gz BJJRWCWZZBSDNJ-OAHLLOKOSA-N 0 3 258.365 2.714 20 30 CFEDHN COCC#CCN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000677818211 541909855 /nfs/dbraw/zinc/90/98/55/541909855.db2.gz HNXLQDJFJZEPSN-MSOLQXFVSA-N 0 3 287.403 2.736 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1CCN(C)CC1 ZINC000073121180 374322809 /nfs/dbraw/zinc/32/28/09/374322809.db2.gz SLCFPSXWGIHTSE-UHFFFAOYSA-N 0 3 299.418 2.637 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000491928657 246125940 /nfs/dbraw/zinc/12/59/40/246125940.db2.gz YVJHRCFJRNCTMO-OVULNCGTSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@](C)(CC)C2)CC1 ZINC000074132359 374408169 /nfs/dbraw/zinc/40/81/69/374408169.db2.gz RQHLOVSFDQEHQC-QGZVFWFLSA-N 0 3 293.455 2.859 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)s1 ZINC000334148541 206086252 /nfs/dbraw/zinc/08/62/52/206086252.db2.gz GGEZTTQHXUMVFH-RISCZKNCSA-N 0 3 262.378 2.621 20 30 CFEDHN C=CCCCCN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000574519978 335026195 /nfs/dbraw/zinc/02/61/95/335026195.db2.gz PQDURXQWNCGQNL-UONOGXRCSA-N 0 3 273.442 2.630 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@](C)(CCC)C1 ZINC000076145823 374537814 /nfs/dbraw/zinc/53/78/14/374537814.db2.gz OCOUWHYWLMXMOP-DZGCQCFKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCc1c(F)cccc1F ZINC000076733782 374556369 /nfs/dbraw/zinc/55/63/69/374556369.db2.gz GRZHCHPMJXXTQM-UHFFFAOYSA-N 0 3 296.361 2.522 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000076735985 374557626 /nfs/dbraw/zinc/55/76/26/374557626.db2.gz BVQMMQYEVPWANH-INIZCTEOSA-N 0 3 288.435 2.940 20 30 CFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C=C1CCC1 ZINC000087208409 374809677 /nfs/dbraw/zinc/80/96/77/374809677.db2.gz VOIQSEWRDYULSG-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN N#Cc1cncc(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000571547260 383704144 /nfs/dbraw/zinc/70/41/44/383704144.db2.gz PMXSEYOWYHVSSM-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN C=CC1CCN(Cc2nn(C)c3ccccc23)CC1 ZINC000678259787 541987436 /nfs/dbraw/zinc/98/74/36/541987436.db2.gz AJLSGAFKPJWNEU-UHFFFAOYSA-N 0 3 255.365 2.971 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1cccc(Cl)c1C#N ZINC000092630902 375132045 /nfs/dbraw/zinc/13/20/45/375132045.db2.gz JVWHADUVGOMINP-NSHDSACASA-N 0 3 263.772 2.742 20 30 CFEDHN C=CC1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000093359143 375219825 /nfs/dbraw/zinc/21/98/25/375219825.db2.gz KKGKKYMMRQUSJC-UHFFFAOYSA-N 0 3 275.348 2.822 20 30 CFEDHN C#CCN(Cc1cn(C)nc1-c1ccncc1)C1CCCC1 ZINC000093819823 375317102 /nfs/dbraw/zinc/31/71/02/375317102.db2.gz UJIRWNJXZOUXOI-UHFFFAOYSA-N 0 3 294.402 2.860 20 30 CFEDHN C=CCOc1ccccc1CN(C)CC1(O)CCCC1 ZINC000093503094 375256775 /nfs/dbraw/zinc/25/67/75/375256775.db2.gz SZRFLLMHQCTKKJ-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](CC)CCO ZINC000094949188 375395005 /nfs/dbraw/zinc/39/50/05/375395005.db2.gz BPGAHRDLZJPIDY-AWEZNQCLSA-N 0 3 263.381 2.750 20 30 CFEDHN CC1(C)C[C@@H](NCc2cccc(C#N)c2)C(C)(C)O1 ZINC000094423840 375361424 /nfs/dbraw/zinc/36/14/24/375361424.db2.gz ZJTQYUOODXZRQP-CQSZACIVSA-N 0 3 258.365 2.994 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000451791221 383708350 /nfs/dbraw/zinc/70/83/50/383708350.db2.gz ZNKCKEYTKRPJHT-WQVCFCJDSA-N 0 3 286.375 2.941 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000451791217 383708258 /nfs/dbraw/zinc/70/82/58/383708258.db2.gz ZNKCKEYTKRPJHT-MAZHCROVSA-N 0 3 286.375 2.941 20 30 CFEDHN Cc1cc(CCN[C@H](C)c2ccc(C#N)cc2)on1 ZINC000507247476 247171192 /nfs/dbraw/zinc/17/11/92/247171192.db2.gz OLPLDUSGZNPBQW-GFCCVEGCSA-N 0 3 255.321 2.748 20 30 CFEDHN N#Cc1cc(F)ccc1CN1CCN(C2CCCC2)CC1 ZINC000103139749 375716751 /nfs/dbraw/zinc/71/67/51/375716751.db2.gz DLHCBTFCBCSSBF-UHFFFAOYSA-N 0 3 287.382 2.758 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2ccccc2)CCC1 ZINC000104664489 375784470 /nfs/dbraw/zinc/78/44/70/375784470.db2.gz UDXUFCNUCVROKQ-HNNXBMFYSA-N 0 3 299.418 2.664 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000110259027 375826993 /nfs/dbraw/zinc/82/69/93/375826993.db2.gz NYWZMAXFEVZFDK-HNNXBMFYSA-N 0 3 284.407 2.635 20 30 CFEDHN C[C@@H]1[C@H](C)SCCN1CCOc1ccc(C#N)cc1 ZINC000112643765 375940035 /nfs/dbraw/zinc/94/00/35/375940035.db2.gz JUYPATSSWHUPPY-OLZOCXBDSA-N 0 3 276.405 2.763 20 30 CFEDHN CCOC[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000113935687 376043147 /nfs/dbraw/zinc/04/31/47/376043147.db2.gz DQFBEESRCJXTSI-HNNXBMFYSA-N 0 3 288.391 2.686 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000115603411 376143627 /nfs/dbraw/zinc/14/36/27/376143627.db2.gz MIXJGVNVPYHQPT-UONOGXRCSA-N 0 3 260.381 2.645 20 30 CFEDHN CCOCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000119053388 376344978 /nfs/dbraw/zinc/34/49/78/376344978.db2.gz VMZSCPKIRYTSHH-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN C=CCCC(=O)NC[C@@H](C(C)C)N(CC=C)CC=C ZINC000263768217 190077945 /nfs/dbraw/zinc/07/79/45/190077945.db2.gz IGFVGOITIYQRBR-HNNXBMFYSA-N 0 3 264.413 2.767 20 30 CFEDHN CC(C)N1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000263909075 190084610 /nfs/dbraw/zinc/08/46/10/190084610.db2.gz JNXBOQJIJDPVOO-CMDGGOBGSA-N 0 3 297.402 2.514 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000120105262 376547419 /nfs/dbraw/zinc/54/74/19/376547419.db2.gz UUVZSTGFAHQUOQ-OAHLLOKOSA-N 0 3 274.408 2.932 20 30 CFEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120267994 376580098 /nfs/dbraw/zinc/58/00/98/376580098.db2.gz NQRMMMOTDLUTHY-BMFZPTHFSA-N 0 3 288.366 2.943 20 30 CFEDHN CCOCCN(CC)Cc1ccc(F)c(C#N)c1 ZINC000120421769 376612506 /nfs/dbraw/zinc/61/25/06/376612506.db2.gz SOGUQNQNBQWHLZ-UHFFFAOYSA-N 0 3 250.317 2.556 20 30 CFEDHN CC1(C)COC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451813804 383714602 /nfs/dbraw/zinc/71/46/02/383714602.db2.gz WCPQHYZNJNNKRT-CYBMUJFWSA-N 0 3 296.317 2.674 20 30 CFEDHN CCCCN(CCOC)Cc1ccc(F)c(C#N)c1 ZINC000120602962 376650072 /nfs/dbraw/zinc/65/00/72/376650072.db2.gz RUVRIXUSQNPMKJ-UHFFFAOYSA-N 0 3 264.344 2.946 20 30 CFEDHN C=C1CCN(CCC(=O)NCc2ccccc2Cl)CC1 ZINC000264467061 190111821 /nfs/dbraw/zinc/11/18/21/190111821.db2.gz MFGYTCYEXIIKHX-UHFFFAOYSA-N 0 3 292.810 2.998 20 30 CFEDHN C=C(C)CN1CCC(Nc2cncc(OC(C)C)n2)CC1 ZINC000124088704 377017080 /nfs/dbraw/zinc/01/70/80/377017080.db2.gz ULPVEGSKGMOVAN-UHFFFAOYSA-N 0 3 290.411 2.716 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H](c2nccs2)C1 ZINC000124961369 377105960 /nfs/dbraw/zinc/10/59/60/377105960.db2.gz KYNHFZAWRDBUNS-STQMWFEESA-N 0 3 266.410 2.650 20 30 CFEDHN C=C(C)COCCNCc1cccc2c1OCCCO2 ZINC000125809638 377193901 /nfs/dbraw/zinc/19/39/01/377193901.db2.gz SJMFQBOKGSXHLG-UHFFFAOYSA-N 0 3 277.364 2.530 20 30 CFEDHN C=C(C)COCCNCc1cnc(C)n1-c1ccccc1 ZINC000125803537 377194842 /nfs/dbraw/zinc/19/48/42/377194842.db2.gz DNBAMQSGIQLXTP-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCC[C@@H](NC(=O)NCCN(C)CC)c1ccccc1 ZINC000126795724 377247654 /nfs/dbraw/zinc/24/76/54/377247654.db2.gz AUIMUQWJAHVHEM-MRXNPFEDSA-N 0 3 289.423 2.945 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CC(=C)C ZINC000125948501 377203822 /nfs/dbraw/zinc/20/38/22/377203822.db2.gz GHTXLYFWMBOLSK-CQSZACIVSA-N 0 3 252.402 2.698 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)C=C)C(C)C ZINC000128574021 377346219 /nfs/dbraw/zinc/34/62/19/377346219.db2.gz QRIZYFOLPNDITE-CABCVRRESA-N 0 3 279.428 2.559 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000264998017 190150778 /nfs/dbraw/zinc/15/07/78/190150778.db2.gz DJFYLHKTVDPFFJ-JKSUJKDBSA-N 0 3 258.365 2.684 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000265079005 190156449 /nfs/dbraw/zinc/15/64/49/190156449.db2.gz ZQONVXMVUWWIRS-HOTGVXAUSA-N 0 3 288.391 2.562 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000432093937 383721395 /nfs/dbraw/zinc/72/13/95/383721395.db2.gz SJPVCMCAADXTPS-AWEZNQCLSA-N 0 3 281.444 2.620 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000265079004 190156142 /nfs/dbraw/zinc/15/61/42/190156142.db2.gz ZQONVXMVUWWIRS-CVEARBPZSA-N 0 3 288.391 2.562 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000130308399 377537320 /nfs/dbraw/zinc/53/73/20/377537320.db2.gz CSAAQFYOVXMKJO-SJORKVTESA-N 0 3 275.367 2.803 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000265254863 190169517 /nfs/dbraw/zinc/16/95/17/190169517.db2.gz UKCXWVRYEYJWGZ-JKSUJKDBSA-N 0 3 276.355 2.823 20 30 CFEDHN C=CCN1CCC(Nc2cc(C)nc(C3CC3)n2)CC1 ZINC000265367044 190177201 /nfs/dbraw/zinc/17/72/01/190177201.db2.gz NPGCVUPGJGGGNG-UHFFFAOYSA-N 0 3 272.396 2.725 20 30 CFEDHN CC[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)N(CC)CC ZINC000265431655 190181553 /nfs/dbraw/zinc/18/15/53/190181553.db2.gz CKBGYSBSJVZNNM-AWEZNQCLSA-N 0 3 277.343 2.756 20 30 CFEDHN C=CCCCN1CCN(CCc2ccccc2)CC1 ZINC000265447834 190182807 /nfs/dbraw/zinc/18/28/07/190182807.db2.gz JYNXMZAIOJKYFG-UHFFFAOYSA-N 0 3 258.409 2.813 20 30 CFEDHN C=CCOCCNCc1ccccc1OCC(F)(F)F ZINC000679485574 542196501 /nfs/dbraw/zinc/19/65/01/542196501.db2.gz IQWQUMVZWMVEOE-UHFFFAOYSA-N 0 3 289.297 2.920 20 30 CFEDHN C=CCOCCNCc1c(C)nn(Cc2ccccc2)c1C ZINC000679485183 542196758 /nfs/dbraw/zinc/19/67/58/542196758.db2.gz ACVNJCUGARMVOE-UHFFFAOYSA-N 0 3 299.418 2.840 20 30 CFEDHN N#Cc1cccc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000265597136 190192817 /nfs/dbraw/zinc/19/28/17/190192817.db2.gz YZSXYLPAPCBXSL-INIZCTEOSA-N 0 3 278.359 2.640 20 30 CFEDHN C#CCCCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000130742088 377602804 /nfs/dbraw/zinc/60/28/04/377602804.db2.gz JKTJROHTKHYVNJ-QGZVFWFLSA-N 0 3 286.419 2.989 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000679576333 542211501 /nfs/dbraw/zinc/21/15/01/542211501.db2.gz NOPWAFDSNLOXEY-GFCCVEGCSA-N 0 3 288.391 2.770 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000679576137 542210464 /nfs/dbraw/zinc/21/04/64/542210464.db2.gz IGAJPEBVGXKZSD-GFCCVEGCSA-N 0 3 292.379 2.507 20 30 CFEDHN CN(C)CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000130951381 377634998 /nfs/dbraw/zinc/63/49/98/377634998.db2.gz GFDCSDOZDGFHDC-UHFFFAOYSA-N 0 3 257.259 2.551 20 30 CFEDHN Cc1cc(C)n(CCCNCc2ccc(C#N)cc2F)n1 ZINC000131203846 377675082 /nfs/dbraw/zinc/67/50/82/377675082.db2.gz KRDOJNWQMXATLU-UHFFFAOYSA-N 0 3 286.354 2.691 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000131772392 377759728 /nfs/dbraw/zinc/75/97/28/377759728.db2.gz KLXPUJOOXJHPIM-CYBMUJFWSA-N 0 3 295.427 2.867 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CCCC ZINC000132663432 377863594 /nfs/dbraw/zinc/86/35/94/377863594.db2.gz NRKHPSZUKWXMJT-AWEZNQCLSA-N 0 3 254.418 2.922 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000132743452 377872692 /nfs/dbraw/zinc/87/26/92/377872692.db2.gz CMKKOANWBHFUHR-CQSZACIVSA-N 0 3 277.343 2.598 20 30 CFEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC000134270182 377998183 /nfs/dbraw/zinc/99/81/83/377998183.db2.gz PIONAEJSSUQRBI-UHFFFAOYSA-N 0 3 289.379 2.829 20 30 CFEDHN C=CCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134869794 378057162 /nfs/dbraw/zinc/05/71/62/378057162.db2.gz MWTLKUJMEMQEAL-HOCLYGCPSA-N 0 3 272.392 2.732 20 30 CFEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000135335648 378120099 /nfs/dbraw/zinc/12/00/99/378120099.db2.gz MJJMNYNRZHQNTK-XHSDSOJGSA-N 0 3 293.455 2.895 20 30 CFEDHN N#Cc1ccc(CNCCCN2CCc3ccccc32)o1 ZINC000135138847 378089198 /nfs/dbraw/zinc/08/91/98/378089198.db2.gz NVRDQSGECZQSQA-UHFFFAOYSA-N 0 3 281.359 2.694 20 30 CFEDHN C=CCCCCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000636140519 383725760 /nfs/dbraw/zinc/72/57/60/383725760.db2.gz WZFBULBURJBCBX-HNNXBMFYSA-N 0 3 264.413 2.866 20 30 CFEDHN CCN(CC(OC)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000136747066 378209411 /nfs/dbraw/zinc/20/94/11/378209411.db2.gz HFAROYJGRNTEQW-GFCCVEGCSA-N 0 3 262.353 2.560 20 30 CFEDHN CC[C@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000150741372 378269625 /nfs/dbraw/zinc/26/96/25/378269625.db2.gz WAOSOPCCNSAHHG-HNNXBMFYSA-N 0 3 291.439 2.984 20 30 CFEDHN CN(CCC(=O)OC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC000150818457 378272754 /nfs/dbraw/zinc/27/27/54/378272754.db2.gz ZOLYXNRONQZRMA-UHFFFAOYSA-N 0 3 292.354 2.861 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000151683172 378347301 /nfs/dbraw/zinc/34/73/01/378347301.db2.gz DTWACBNFPHSRMI-UKRRQHHQSA-N 0 3 260.381 2.726 20 30 CFEDHN C=CCC(CC=C)C(=O)N1[C@@H]2CC[C@H]1CN(CC)CC2 ZINC000151762179 378357449 /nfs/dbraw/zinc/35/74/49/378357449.db2.gz YFYJVEYXDRYTBA-CVEARBPZSA-N 0 3 276.424 2.840 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)NCc1noc2c1CCCC2 ZINC000329288101 378450524 /nfs/dbraw/zinc/45/05/24/378450524.db2.gz HQDPCNIRWNWYCX-AWEZNQCLSA-N 0 3 291.395 2.884 20 30 CFEDHN O=C(Nc1ccc2nncn2c1)[C@H]1CCCN1C1CCCC1 ZINC000329369331 378458098 /nfs/dbraw/zinc/45/80/98/378458098.db2.gz LMZYYOJQAYLNIB-CQSZACIVSA-N 0 3 299.378 2.724 20 30 CFEDHN O=C(Nc1ccc2nncn2c1)[C@@H]1CCCN1C1CCCC1 ZINC000329369330 378458599 /nfs/dbraw/zinc/45/85/99/378458599.db2.gz LMZYYOJQAYLNIB-AWEZNQCLSA-N 0 3 299.378 2.724 20 30 CFEDHN O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CCCN1C1CCCC1 ZINC000330145268 378526067 /nfs/dbraw/zinc/52/60/67/378526067.db2.gz HHCWSACAALHOEZ-RBSFLKMASA-N 0 3 280.412 2.653 20 30 CFEDHN C[C@@H](C(=O)NC1CCC(C)CC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329656914 378475930 /nfs/dbraw/zinc/47/59/30/378475930.db2.gz MXRHKOBGIIZOKP-WTVLLGGBSA-N 0 3 294.439 2.613 20 30 CFEDHN C[C@H](NC(=O)c1cccc2c[nH]nc21)C1=CCN(C)CC1 ZINC000329689051 378482466 /nfs/dbraw/zinc/48/24/66/378482466.db2.gz BBGAOORHTLXIJO-NSHDSACASA-N 0 3 284.363 2.518 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cn2c(n1)CCCC2 ZINC000330430231 378553804 /nfs/dbraw/zinc/55/38/04/378553804.db2.gz VJFYRNKGIKTTJU-ZDUSSCGKSA-N 0 3 292.427 2.500 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@H]1[NH+]=C([O-])NCCn1ccnc1 ZINC000330510303 378574247 /nfs/dbraw/zinc/57/42/47/378574247.db2.gz APLXSPLIXPDPLD-UONOGXRCSA-N 0 3 278.400 2.602 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000154055275 378536386 /nfs/dbraw/zinc/53/63/86/378536386.db2.gz CDFBTWBPXIIONJ-MSOLQXFVSA-N 0 3 293.370 2.824 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C(C)(C)C ZINC000330622913 378591664 /nfs/dbraw/zinc/59/16/64/378591664.db2.gz OTJOAXXAPBQNQC-BBRMVZONSA-N 0 3 279.428 2.551 20 30 CFEDHN C[C@H](NC[C@@H]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000331002495 378613623 /nfs/dbraw/zinc/61/36/23/378613623.db2.gz AAWZQYSSBWCXGD-CYZMBNFOSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000331002496 378613720 /nfs/dbraw/zinc/61/37/20/378613720.db2.gz AAWZQYSSBWCXGD-DRZSPHRISA-N 0 3 262.328 2.509 20 30 CFEDHN C=CCOc1ccccc1CNCC1(CCO)CC1 ZINC000157342662 378653582 /nfs/dbraw/zinc/65/35/82/378653582.db2.gz MHYWJJFLWVQDAR-UHFFFAOYSA-N 0 3 261.365 2.504 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331284871 378663351 /nfs/dbraw/zinc/66/33/51/378663351.db2.gz KYUNCHUKEXBIKN-XEZPLFJOSA-N 0 3 288.391 2.548 20 30 CFEDHN C=C(C)CN(CC)Cc1cc2c(c(OC)c1)OCO2 ZINC000158987515 378678450 /nfs/dbraw/zinc/67/84/50/378678450.db2.gz ZLQAWEBRTGRDBH-UHFFFAOYSA-N 0 3 263.337 2.822 20 30 CFEDHN CCOc1nccc(C)c1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000331206236 378650330 /nfs/dbraw/zinc/65/03/30/378650330.db2.gz DIENGXYJSPRJMO-QWHCGFSZSA-N 0 3 291.395 2.576 20 30 CFEDHN CC(C)(C)CN(CCC#N)CCN1CCCCC1 ZINC000157244113 378650903 /nfs/dbraw/zinc/65/09/03/378650903.db2.gz HQABAVDCRHJLCI-UHFFFAOYSA-N 0 3 251.418 2.734 20 30 CFEDHN Cc1nc([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000332302672 378744497 /nfs/dbraw/zinc/74/44/97/378744497.db2.gz KZFCUVICLJKZJV-CQSZACIVSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000332302672 378744502 /nfs/dbraw/zinc/74/45/02/378744502.db2.gz KZFCUVICLJKZJV-CQSZACIVSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC000332302672 378744506 /nfs/dbraw/zinc/74/45/06/378744506.db2.gz KZFCUVICLJKZJV-CQSZACIVSA-N 0 3 299.353 2.504 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)o1 ZINC000266174695 190237104 /nfs/dbraw/zinc/23/71/04/190237104.db2.gz SPCWMAHSKFGQPP-BBRMVZONSA-N 0 3 252.317 2.872 20 30 CFEDHN CC[C@H]1CCCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000332054132 378722052 /nfs/dbraw/zinc/72/20/52/378722052.db2.gz WTMJQHKNEJIFCO-KRWDZBQOSA-N 0 3 299.418 2.829 20 30 CFEDHN Cc1noc([C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000332107921 378727422 /nfs/dbraw/zinc/72/74/22/378727422.db2.gz ZZJIPRHJDZEEOS-IAQYHMDHSA-N 0 3 282.347 2.800 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCC(C)(C)O1 ZINC000160367139 378766475 /nfs/dbraw/zinc/76/64/75/378766475.db2.gz HVIJCYLDUONQEW-OAHLLOKOSA-N 0 3 258.365 2.948 20 30 CFEDHN COC(=O)Nc1ccc(CCNCc2ccc(C#N)o2)cc1 ZINC000266187503 190238612 /nfs/dbraw/zinc/23/86/12/190238612.db2.gz XLIRWJCYKSJIRW-UHFFFAOYSA-N 0 3 299.330 2.662 20 30 CFEDHN CC[C@H](C)[C@H](C)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332407228 378759137 /nfs/dbraw/zinc/75/91/37/378759137.db2.gz MFMILOGSBNCSNZ-GMXVVIOVSA-N 0 3 291.420 2.749 20 30 CFEDHN C=C(C)CNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000161211145 378830692 /nfs/dbraw/zinc/83/06/92/378830692.db2.gz VAMJXGBQUFUUDI-MRXNPFEDSA-N 0 3 289.423 2.727 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1ccsc1 ZINC000266238452 190242377 /nfs/dbraw/zinc/24/23/77/190242377.db2.gz WJFALNCYICFPSC-AWEZNQCLSA-N 0 3 275.377 2.605 20 30 CFEDHN C=CCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000161390237 378843271 /nfs/dbraw/zinc/84/32/71/378843271.db2.gz FDHRNQMTLDNOLS-UHFFFAOYSA-N 0 3 272.348 2.752 20 30 CFEDHN CC(C)[C@@H](CCO)NCC#Cc1ccc(Cl)cc1 ZINC000161894970 378878738 /nfs/dbraw/zinc/87/87/38/378878738.db2.gz CXZNLEGYLCXZMJ-OAHLLOKOSA-N 0 3 265.784 2.688 20 30 CFEDHN C[C@H](NCC1CCC(C#N)CC1)c1cc2n(n1)CCC2 ZINC000333942979 378879794 /nfs/dbraw/zinc/87/97/94/378879794.db2.gz QMSFPZAUGIXMEF-HSBZDZAISA-N 0 3 272.396 2.810 20 30 CFEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@H]1CCOC1 ZINC000162818047 378936625 /nfs/dbraw/zinc/93/66/25/378936625.db2.gz DFKSHKZVNILKPT-OCCSQVGLSA-N 0 3 263.768 2.706 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000278584885 194056670 /nfs/dbraw/zinc/05/66/70/194056670.db2.gz ADILCHZJQRCYSB-SCDSUCTJSA-N 0 3 290.338 2.690 20 30 CFEDHN CC[C@H](N[C@@H](C)CO[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000278629194 194075218 /nfs/dbraw/zinc/07/52/18/194075218.db2.gz GTQYKJGWBWLWBF-XKQJLSEDSA-N 0 3 288.391 2.793 20 30 CFEDHN N#Cc1cc(NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000165360780 379038357 /nfs/dbraw/zinc/03/83/57/379038357.db2.gz HEBPZQYDXXBPKQ-UHFFFAOYSA-N 0 3 286.335 2.505 20 30 CFEDHN Cc1cc(OC(=O)C2CCN(C3CC3)CC2)ccc1C#N ZINC000278745984 194136295 /nfs/dbraw/zinc/13/62/95/194136295.db2.gz JDMWBZZUIPTGDE-UHFFFAOYSA-N 0 3 284.359 2.647 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000334345324 379130114 /nfs/dbraw/zinc/13/01/14/379130114.db2.gz OPHXVMUARRYLKF-HZPDHXFCSA-N 0 3 274.339 2.841 20 30 CFEDHN CC(C#N)C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000335338475 379119214 /nfs/dbraw/zinc/11/92/14/379119214.db2.gz ZCKAPMCKAVQUBC-BLLLJJGKSA-N 0 3 256.349 2.556 20 30 CFEDHN COc1cccc2c1CCN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000334364796 379165383 /nfs/dbraw/zinc/16/53/83/379165383.db2.gz HBYPKZNPRFJBOU-HIFRSBDPSA-N 0 3 270.376 2.788 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)s1 ZINC000334369889 379173538 /nfs/dbraw/zinc/17/35/38/379173538.db2.gz VDMPHVRBPQSCGP-ZETCQYMHSA-N 0 3 287.182 2.629 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCCC#N)C1 ZINC000171033928 379216427 /nfs/dbraw/zinc/21/64/27/379216427.db2.gz VLELHXPSALXQHN-CYBMUJFWSA-N 0 3 281.400 2.669 20 30 CFEDHN CC(C)OC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000266473841 190259916 /nfs/dbraw/zinc/25/99/16/190259916.db2.gz OQAIZJVGOCBOST-GFCCVEGCSA-N 0 3 260.337 2.551 20 30 CFEDHN Cc1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000334409971 379249191 /nfs/dbraw/zinc/24/91/91/379249191.db2.gz KEORCFSBOZNXIE-CYBMUJFWSA-N 0 3 272.348 2.525 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000335416189 379255252 /nfs/dbraw/zinc/25/52/52/379255252.db2.gz GFPJSOUFZANIMF-QGZVFWFLSA-N 0 3 263.344 2.943 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ncccc2C)CC1 ZINC000171548213 379334251 /nfs/dbraw/zinc/33/42/51/379334251.db2.gz YODSIAPTBUZYGQ-UHFFFAOYSA-N 0 3 288.395 2.552 20 30 CFEDHN C#CCCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000278907079 194205970 /nfs/dbraw/zinc/20/59/70/194205970.db2.gz KHPUAOVRUUINHX-AWEZNQCLSA-N 0 3 251.757 2.983 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)o1 ZINC000335441169 379299953 /nfs/dbraw/zinc/29/99/53/379299953.db2.gz HCKJBXNEVBTSMS-ZDUSSCGKSA-N 0 3 253.305 2.536 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(CC)cc2)CC1 ZINC000171724982 379384357 /nfs/dbraw/zinc/38/43/57/379384357.db2.gz KTUZPKCJFYNDNP-UHFFFAOYSA-N 0 3 272.392 2.629 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000171723703 379385519 /nfs/dbraw/zinc/38/55/19/379385519.db2.gz ZJXHASUFVALHMS-UHFFFAOYSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000171740806 379392337 /nfs/dbraw/zinc/39/23/37/379392337.db2.gz QQFGMWWWHLLPIA-UHFFFAOYSA-N 0 3 295.333 2.737 20 30 CFEDHN N#Cc1ccc(NC(=O)CN(C2CC2)C2CCCC2)cc1 ZINC000171617844 379355574 /nfs/dbraw/zinc/35/55/74/379355574.db2.gz LHCVQKHLBXIZIY-UHFFFAOYSA-N 0 3 283.375 2.904 20 30 CFEDHN CC(=O)N1CCN(CCC(C)(C)C#N)CC12CCCCC2 ZINC000334478103 379369704 /nfs/dbraw/zinc/36/97/04/379369704.db2.gz QZHMCFUGCSPGFS-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](C3CCOCC3)C2)c1F ZINC000334538453 379483280 /nfs/dbraw/zinc/48/32/80/379483280.db2.gz RCVBPGDIWQBDMM-HNNXBMFYSA-N 0 3 288.366 2.946 20 30 CFEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1O ZINC000334542017 379491461 /nfs/dbraw/zinc/49/14/61/379491461.db2.gz SRJSJEZHELTIJW-KBPBESRZSA-N 0 3 250.386 2.553 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)C[C@@H]2C)CC1 ZINC000334587683 379581131 /nfs/dbraw/zinc/58/11/31/379581131.db2.gz YNYRMDPRCNNIQU-AWEZNQCLSA-N 0 3 293.455 2.857 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1Cc1cc(C#N)cs1 ZINC000334581982 379571850 /nfs/dbraw/zinc/57/18/50/379571850.db2.gz JZBQJLWVUJWMDD-GXTWGEPZSA-N 0 3 275.421 2.678 20 30 CFEDHN CN(C)[C@@]1(CNc2c(F)cc(C#N)cc2F)CCSC1 ZINC000267084420 190302411 /nfs/dbraw/zinc/30/24/11/190302411.db2.gz KZKXBBLUZPLZHI-CQSZACIVSA-N 0 3 297.374 2.686 20 30 CFEDHN Cc1c(NC(=O)C(C)C(F)(F)F)ccc(C#N)c1C#N ZINC000335623692 379617200 /nfs/dbraw/zinc/61/72/00/379617200.db2.gz UKVXZYILZOYDAJ-QMMMGPOBSA-N 0 3 281.237 2.875 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000335673096 379698384 /nfs/dbraw/zinc/69/83/84/379698384.db2.gz BLSQDBQESRAQIB-CYBMUJFWSA-N 0 3 298.390 2.639 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](O)c1cccc(F)c1 ZINC000267253736 190315373 /nfs/dbraw/zinc/31/53/73/190315373.db2.gz ZZIJDULBCDOPHR-MEBBXXQBSA-N 0 3 290.363 2.971 20 30 CFEDHN C#CCOc1ccccc1CNCC(CC)(CC)CCO ZINC000174138427 379833419 /nfs/dbraw/zinc/83/34/19/379833419.db2.gz BYJYKNMFICSVIC-UHFFFAOYSA-N 0 3 289.419 2.977 20 30 CFEDHN CC(C#N)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000335771501 379863151 /nfs/dbraw/zinc/86/31/51/379863151.db2.gz YMJBULAOBFDQGG-XJKSGUPXSA-N 0 3 279.343 2.579 20 30 CFEDHN N#Cc1ccc(OCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000174560006 379908777 /nfs/dbraw/zinc/90/87/77/379908777.db2.gz WLGGIWIJKMRJCC-UHFFFAOYSA-N 0 3 297.314 2.635 20 30 CFEDHN COCc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000174558235 379908788 /nfs/dbraw/zinc/90/87/88/379908788.db2.gz KPMGMIDMXVVCKU-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000335083489 379969905 /nfs/dbraw/zinc/96/99/05/379969905.db2.gz AUOWGHLOCUBCGS-CMPLNLGQSA-N 0 3 262.740 2.816 20 30 CFEDHN C=CCN1C(=O)c2ccccc2N[C@]12CCN(C)[C@@H](C)C2 ZINC000334879827 379938579 /nfs/dbraw/zinc/93/85/79/379938579.db2.gz DEAUCJQTFOSJQE-SUMWQHHRSA-N 0 3 285.391 2.551 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000335154361 379984158 /nfs/dbraw/zinc/98/41/58/379984158.db2.gz AUUFCPAOGLVZTG-RISCZKNCSA-N 0 3 258.321 2.518 20 30 CFEDHN Cc1[nH]c2ccc(CNC(=O)C(C)C#N)cc2c1C ZINC000335148936 379984283 /nfs/dbraw/zinc/98/42/83/379984283.db2.gz IWTDPQWUHCKUMW-SECBINFHSA-N 0 3 255.321 2.561 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C2\CC[C@@H](C)C2)CC1 ZINC000267837240 190357595 /nfs/dbraw/zinc/35/75/95/190357595.db2.gz GMSANBJKZWQRLB-XDPMZMSMSA-N 0 3 276.424 2.890 20 30 CFEDHN N#CCCCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175845022 380142670 /nfs/dbraw/zinc/14/26/70/380142670.db2.gz DISJJTQOPNOILT-OLZOCXBDSA-N 0 3 264.394 2.940 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccsc2)CC1 ZINC000268108926 190377922 /nfs/dbraw/zinc/37/79/22/190377922.db2.gz DLZHRHFKYJUUSP-UHFFFAOYSA-N 0 3 279.409 2.910 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000175619675 380101580 /nfs/dbraw/zinc/10/15/80/380101580.db2.gz AVHPACCPTSCXSO-OAHLLOKOSA-N 0 3 274.408 2.979 20 30 CFEDHN C=CCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000175619659 380101983 /nfs/dbraw/zinc/10/19/83/380101983.db2.gz AVHPACCPTSCXSO-HNNXBMFYSA-N 0 3 274.408 2.979 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cccc(F)c1C#N ZINC000268202293 190385530 /nfs/dbraw/zinc/38/55/30/190385530.db2.gz XPUGUPFBQVWZMZ-BONVTDFDSA-N 0 3 259.328 2.592 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CCC[C@@H]32)CC1 ZINC000336097518 380266955 /nfs/dbraw/zinc/26/69/55/380266955.db2.gz ILLQSVHQWLNWQX-ZBFHGGJFSA-N 0 3 291.439 2.611 20 30 CFEDHN Cc1ccc(CCNCc2ccc(C#N)s2)cn1 ZINC000176967882 380288284 /nfs/dbraw/zinc/28/82/84/380288284.db2.gz HUMQSFFYQRNXFY-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN CC[C@@H]1CCCCN1CCNCc1ccc(C#N)s1 ZINC000176969037 380288434 /nfs/dbraw/zinc/28/84/34/380288434.db2.gz PYNYZVRUWVKISZ-CYBMUJFWSA-N 0 3 277.437 2.974 20 30 CFEDHN N#Cc1cccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000177946201 380395628 /nfs/dbraw/zinc/39/56/28/380395628.db2.gz YGZBBGUTSNWTHJ-KFKAGJAMSA-N 0 3 295.430 2.864 20 30 CFEDHN Cc1noc(C)c1CCNCc1cc(C#N)cs1 ZINC000177698168 380369164 /nfs/dbraw/zinc/36/91/64/380369164.db2.gz LYNJOIVYQVAKME-UHFFFAOYSA-N 0 3 261.350 2.557 20 30 CFEDHN CO[C@@H](CNCc1cc(C#N)cs1)C(C)(C)C ZINC000177708319 380371329 /nfs/dbraw/zinc/37/13/29/380371329.db2.gz KKMQTQAVJHGNGK-LBPRGKRZSA-N 0 3 252.383 2.770 20 30 CFEDHN COC(=O)[C@]1(C)CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000177457216 380344621 /nfs/dbraw/zinc/34/46/21/380344621.db2.gz WEXSMXDSRKIPNL-BLLLJJGKSA-N 0 3 272.348 2.504 20 30 CFEDHN N#Cc1ccc(CNCCc2cc(F)ccc2F)o1 ZINC000177582392 380356446 /nfs/dbraw/zinc/35/64/46/380356446.db2.gz UJUBVQRAYJBNAC-UHFFFAOYSA-N 0 3 262.259 2.762 20 30 CFEDHN C[C@@H](NCC[C@H](C)O)c1ccc(C#N)cc1Cl ZINC000279069888 194270523 /nfs/dbraw/zinc/27/05/23/194270523.db2.gz LOJGBDFITYWXGS-VHSXEESVSA-N 0 3 252.745 2.633 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000336551199 380455941 /nfs/dbraw/zinc/45/59/41/380455941.db2.gz NLIKJDHOSOFNJV-CABCVRRESA-N 0 3 288.366 2.946 20 30 CFEDHN Cc1ccc(Br)cc1CNC(=O)C(C)C#N ZINC000336566936 380477530 /nfs/dbraw/zinc/47/75/30/380477530.db2.gz TVNFASYNKDITOM-VIFPVBQESA-N 0 3 281.153 2.533 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]([C@H]3CCOC3)C2)c1F ZINC000336615410 380552932 /nfs/dbraw/zinc/55/29/32/380552932.db2.gz GTYMPXYJPROCCA-ZFWWWQNUSA-N 0 3 274.339 2.556 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]3COCC[C@H]32)c1F ZINC000336619459 380560228 /nfs/dbraw/zinc/56/02/28/380560228.db2.gz RKOBHFJXRFOLTB-HUUCEWRRSA-N 0 3 274.339 2.698 20 30 CFEDHN COCC1(CN(C)Cc2cccc(C#N)c2)CCC1 ZINC000336816608 380678864 /nfs/dbraw/zinc/67/88/64/380678864.db2.gz MQTIBABIRPZXDH-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288469539 197086928 /nfs/dbraw/zinc/08/69/28/197086928.db2.gz ZZHQEIAIXVDOGA-GOEBONIOSA-N 0 3 272.392 2.732 20 30 CFEDHN N#CC1(C(=O)NC[C@H]2CCN2C2CCCCC2)CCCC1 ZINC000529719505 383750311 /nfs/dbraw/zinc/75/03/11/383750311.db2.gz OCAGADAWWHPYGX-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN COC1(CN[C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000358436712 380846506 /nfs/dbraw/zinc/84/65/06/380846506.db2.gz SBNMMKBTADBXGR-LLVKDONJSA-N 0 3 262.328 2.917 20 30 CFEDHN N#Cc1ccc(CNCCC[C@H]2CCOC2)c(F)c1 ZINC000402075796 380879085 /nfs/dbraw/zinc/87/90/85/380879085.db2.gz RRTGSPRTBJFUEN-LBPRGKRZSA-N 0 3 262.328 2.604 20 30 CFEDHN CCN(C[C@H](C)C#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181668169 380861295 /nfs/dbraw/zinc/86/12/95/380861295.db2.gz QYZKMIDMPIHMPB-CQSZACIVSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(C)nn(-c2ccccc2)c1C ZINC000341266407 380882201 /nfs/dbraw/zinc/88/22/01/380882201.db2.gz IOGCQGKGOPOWJX-MRXNPFEDSA-N 0 3 299.418 2.763 20 30 CFEDHN C=C(CC)CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000358502545 380886942 /nfs/dbraw/zinc/88/69/42/380886942.db2.gz VSRZCNRPRRHKQP-UHFFFAOYSA-N 0 3 276.380 2.748 20 30 CFEDHN CCC(CC)(CO)CNCc1ccc(C#N)c(F)c1 ZINC000404149697 380903529 /nfs/dbraw/zinc/90/35/29/380903529.db2.gz QXTMAASRYKOQOZ-UHFFFAOYSA-N 0 3 264.344 2.586 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404679013 380905247 /nfs/dbraw/zinc/90/52/47/380905247.db2.gz JAZHGURZUQKLEW-GJZGRUSLSA-N 0 3 274.339 2.745 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(OC)c(OC)c1Cl ZINC000341292822 380910514 /nfs/dbraw/zinc/91/05/14/380910514.db2.gz HPZNDCMYODPUST-NSHDSACASA-N 0 3 299.798 2.631 20 30 CFEDHN N#Cc1ccccc1OCCN1C[C@H]2CCCC[C@H]21 ZINC000368080866 380912569 /nfs/dbraw/zinc/91/25/69/380912569.db2.gz IMPVHSLSLCFJKY-HUUCEWRRSA-N 0 3 256.349 2.811 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC[C@@H](C)C1 ZINC000408341944 380921983 /nfs/dbraw/zinc/92/19/83/380921983.db2.gz UPJQQLJYYGWITJ-IJEWVQPXSA-N 0 3 279.428 2.551 20 30 CFEDHN COC[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358557478 380924501 /nfs/dbraw/zinc/92/45/01/380924501.db2.gz BUJJSZSZYNZFOS-QWRGUYRKSA-N 0 3 250.317 2.630 20 30 CFEDHN C[C@H](NCCCn1ccnc1)c1ccc(C#N)cc1F ZINC000358597718 380960349 /nfs/dbraw/zinc/96/03/49/380960349.db2.gz XDLAVFAZMIEWFE-LBPRGKRZSA-N 0 3 272.327 2.635 20 30 CFEDHN C=CCOc1ccc(CNCCC2(O)CCC2)cc1OC ZINC000341371636 380974908 /nfs/dbraw/zinc/97/49/08/380974908.db2.gz LUOKRUQZFZFZOJ-UHFFFAOYSA-N 0 3 291.391 2.655 20 30 CFEDHN C[C@H](NCC(C)(C)CCO)c1ccc(C#N)cc1F ZINC000358566166 380932787 /nfs/dbraw/zinc/93/27/87/380932787.db2.gz IMCLZYXQTRPTRZ-NSHDSACASA-N 0 3 264.344 2.757 20 30 CFEDHN C[C@@H](NC[C@@]1(C)CCOC1)c1ccc(C#N)cc1F ZINC000358564092 380933292 /nfs/dbraw/zinc/93/32/92/380933292.db2.gz WUGTWXWTVNOHRR-IAQYHMDHSA-N 0 3 262.328 2.775 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000358567881 380934694 /nfs/dbraw/zinc/93/46/94/380934694.db2.gz KITFTDJTOWYZQB-NTZNESFSSA-N 0 3 262.328 2.773 20 30 CFEDHN CCN(CC)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567125 380935221 /nfs/dbraw/zinc/93/52/21/380935221.db2.gz JLCJVFWTIWVOPL-LBPRGKRZSA-N 0 3 263.360 2.690 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](c3nccn3C)C2)c1 ZINC000368137287 380940472 /nfs/dbraw/zinc/94/04/72/380940472.db2.gz ZBNSDTVWQKWDJO-INIZCTEOSA-N 0 3 297.402 2.974 20 30 CFEDHN CN(C)C(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411143723 381009868 /nfs/dbraw/zinc/00/98/68/381009868.db2.gz ZVLRYRQOWHDBHZ-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN CC(C)[C@@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000368394173 381010575 /nfs/dbraw/zinc/01/05/75/381010575.db2.gz STZNXCRZGWAABE-KRWDZBQOSA-N 0 3 270.376 2.664 20 30 CFEDHN CC(C)OC(=O)C[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000411554482 381031539 /nfs/dbraw/zinc/03/15/39/381031539.db2.gz QRVCYRPDXRNWBG-UONOGXRCSA-N 0 3 266.385 2.732 20 30 CFEDHN CCCCCC(=O)NC1CCN([C@@H](C)CCC#N)CC1 ZINC000411216327 381017795 /nfs/dbraw/zinc/01/77/95/381017795.db2.gz FAWQVUTXXDQYNK-AWEZNQCLSA-N 0 3 279.428 2.840 20 30 CFEDHN N#CC1(CCNC2(CO)Cc3ccccc3C2)CCCCC1 ZINC000411278611 381020035 /nfs/dbraw/zinc/02/00/35/381020035.db2.gz KBUVXZZNCXQFLS-UHFFFAOYSA-N 0 3 298.430 2.970 20 30 CFEDHN C[C@H](CCC#N)N(C)CCCC(=O)OC(C)(C)C ZINC000411288799 381020637 /nfs/dbraw/zinc/02/06/37/381020637.db2.gz FFBSPRYNKKPWLR-GFCCVEGCSA-N 0 3 254.374 2.732 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000411427053 381025073 /nfs/dbraw/zinc/02/50/73/381025073.db2.gz OASUZYRCAMYQRS-WCQYABFASA-N 0 3 273.384 2.554 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000354022790 381026939 /nfs/dbraw/zinc/02/69/39/381026939.db2.gz UBDCXTVBLQIZGK-IUODEOHRSA-N 0 3 266.360 2.692 20 30 CFEDHN C[C@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000410892600 381002513 /nfs/dbraw/zinc/00/25/13/381002513.db2.gz WRVLROMRIIQVNM-CQSZACIVSA-N 0 3 285.391 2.657 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)[C@H](C)C#N)cc1)C1CC1 ZINC000410892343 381003008 /nfs/dbraw/zinc/00/30/08/381003008.db2.gz VUCGGKKENGBBNU-CYBMUJFWSA-N 0 3 285.391 2.655 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000288192672 381007862 /nfs/dbraw/zinc/00/78/62/381007862.db2.gz QGXCFUWDXDWMMM-SQWLQELKSA-N 0 3 289.423 2.942 20 30 CFEDHN C#C[C@@H](NCc1cc2ccccc2[nH]c1=O)C(C)C ZINC000289594424 381060069 /nfs/dbraw/zinc/06/00/69/381060069.db2.gz UTSZHXFOWPLBTM-CQSZACIVSA-N 0 3 254.333 2.688 20 30 CFEDHN C#Cc1ccc(CN2CCSC3(CCOCC3)C2)cc1 ZINC000289601914 381061952 /nfs/dbraw/zinc/06/19/52/381061952.db2.gz JCGBYTKVJMJKQZ-UHFFFAOYSA-N 0 3 287.428 2.766 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CCO[C@H]1C1CC1 ZINC000341526637 381067776 /nfs/dbraw/zinc/06/77/76/381067776.db2.gz AMSABAVNPNMLSG-DLBZAZTESA-N 0 3 288.366 2.992 20 30 CFEDHN C#C[C@@H](NCc1cnc2ccc(Cl)cn12)C(C)C ZINC000289652757 381086344 /nfs/dbraw/zinc/08/63/44/381086344.db2.gz YCEBPZMAESKRMP-CYBMUJFWSA-N 0 3 261.756 2.735 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCSc2cc(C)c(C)cc21 ZINC000289682787 381100239 /nfs/dbraw/zinc/10/02/39/381100239.db2.gz HTYYPYPXBAOKFC-TZMCWYRMSA-N 0 3 263.406 2.977 20 30 CFEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)CCC1(F)F ZINC000289681096 381101368 /nfs/dbraw/zinc/10/13/68/381101368.db2.gz GKQKCLFNUBNQMI-GFCCVEGCSA-N 0 3 280.318 2.914 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000368662253 381102660 /nfs/dbraw/zinc/10/26/60/381102660.db2.gz ZHCJEEPSCVUBHT-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN C=CCOCCNCc1cc(C)c2ncccc2c1 ZINC000680133537 542281352 /nfs/dbraw/zinc/28/13/52/542281352.db2.gz LRQLUSMJPUXKIC-UHFFFAOYSA-N 0 3 256.349 2.835 20 30 CFEDHN N#Cc1ccccc1N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000347390399 381117548 /nfs/dbraw/zinc/11/75/48/381117548.db2.gz HMURDJWUZXCKFL-KRWDZBQOSA-N 0 3 299.418 2.639 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000368755379 381125117 /nfs/dbraw/zinc/12/51/17/381125117.db2.gz GMXVBPZXCXRILI-INIZCTEOSA-N 0 3 278.359 2.728 20 30 CFEDHN Cc1c2c(nc(SC[C@H](C)N(C)C)c1C#N)CCC2 ZINC000358868869 381131209 /nfs/dbraw/zinc/13/12/09/381131209.db2.gz WONHXQQMARVYLR-JTQLQIEISA-N 0 3 275.421 2.793 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000182824953 381166980 /nfs/dbraw/zinc/16/69/80/381166980.db2.gz BLQDWYJEIFFSAI-CKEIUWERSA-N 0 3 297.402 2.784 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000289855570 381189712 /nfs/dbraw/zinc/18/97/12/381189712.db2.gz QSWXPKJUXHVCMI-VXNVDRBHSA-N 0 3 275.179 2.773 20 30 CFEDHN C[C@H](N[C@H]1CCOC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358980137 381192176 /nfs/dbraw/zinc/19/21/76/381192176.db2.gz FHPSPHCQOLBMBR-PGUXBMHVSA-N 0 3 262.328 2.773 20 30 CFEDHN COc1cc(CN2CC[C@@H](C3CC3)C2)ccc1C#N ZINC000369111472 381195452 /nfs/dbraw/zinc/19/54/52/381195452.db2.gz HDXOCHCKGODCIC-OAHLLOKOSA-N 0 3 256.349 2.799 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNc1cnccc1C#N ZINC000354324489 381201611 /nfs/dbraw/zinc/20/16/11/381201611.db2.gz OHYJPMDGUJOLGH-STQMWFEESA-N 0 3 258.369 2.628 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCC1(F)F ZINC000289896784 381206560 /nfs/dbraw/zinc/20/65/60/381206560.db2.gz SHEHSCYGHWEIAJ-BXUZGUMPSA-N 0 3 280.318 2.569 20 30 CFEDHN COc1cc([C@@H](C)NCCOc2cccc(C#N)c2)ccn1 ZINC000347637100 381268252 /nfs/dbraw/zinc/26/82/52/381268252.db2.gz HYNIOJFCKULYHM-CYBMUJFWSA-N 0 3 297.358 2.691 20 30 CFEDHN C=CCc1cc(CN[C@H](C)[C@H](C)OC)cc(OC)c1O ZINC000289933466 381223188 /nfs/dbraw/zinc/22/31/88/381223188.db2.gz WHZAKDBYRUQTJL-NEPJUHHUSA-N 0 3 279.380 2.642 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)c1cccc(CO)c1 ZINC000183220512 381239533 /nfs/dbraw/zinc/23/95/33/381239533.db2.gz OXYOGUZHNQPLCC-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000342277590 381242260 /nfs/dbraw/zinc/24/22/60/381242260.db2.gz BBRNSVNRSOZQTF-UONOGXRCSA-N 0 3 266.429 2.777 20 30 CFEDHN Cc1ccccc1-n1cc(CNCC(C)(C)CCC#N)nn1 ZINC000342279018 381242411 /nfs/dbraw/zinc/24/24/11/381242411.db2.gz MMOOBMNXAJZUQU-UHFFFAOYSA-N 0 3 297.406 2.995 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](CO)C[C@@H]2C)c1 ZINC000289990558 381250806 /nfs/dbraw/zinc/25/08/06/381250806.db2.gz CFBVDYHFVBOSEC-HOCLYGCPSA-N 0 3 275.392 2.844 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000412408649 381289805 /nfs/dbraw/zinc/28/98/05/381289805.db2.gz LGLJCLBMJGUHFT-OAHLLOKOSA-N 0 3 273.380 2.972 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)c2nccc(C#N)c2Cl)CCN1C ZINC000342352218 381290304 /nfs/dbraw/zinc/29/03/04/381290304.db2.gz UDSVJRXTOFEFPB-PWSUYJOCSA-N 0 3 278.787 2.526 20 30 CFEDHN C=CC[C@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000342359563 381295060 /nfs/dbraw/zinc/29/50/60/381295060.db2.gz MCZKNCFMVFPXAU-UONOGXRCSA-N 0 3 252.402 2.578 20 30 CFEDHN CC(=O)NCC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000347683689 381296586 /nfs/dbraw/zinc/29/65/86/381296586.db2.gz YDGWIYYOMQGCOE-GOEBONIOSA-N 0 3 299.418 2.857 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000347700837 381304288 /nfs/dbraw/zinc/30/42/88/381304288.db2.gz HAHBWGBJKAKKBW-BETUJISGSA-N 0 3 275.371 2.612 20 30 CFEDHN C#C[C@@H](NCc1cc(OC)c(OC)c(OC)c1)C(C)(C)C ZINC000290055206 381280222 /nfs/dbraw/zinc/28/02/22/381280222.db2.gz DYEBAOVBQDTYIO-OAHLLOKOSA-N 0 3 291.391 2.850 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000342336674 381283557 /nfs/dbraw/zinc/28/35/57/381283557.db2.gz WRRGGPJYBYZUAG-GASCZTMLSA-N 0 3 296.455 2.594 20 30 CFEDHN N#Cc1ccc(N2CCN(CC34CCC(CC3)C4)CC2)nc1 ZINC000347735900 381323607 /nfs/dbraw/zinc/32/36/07/381323607.db2.gz JNEXBTLSMGVWHJ-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN C=CCC[C@H](NC(=O)N[C@H](C)CN(C)C)c1ccccc1 ZINC000354546378 381332666 /nfs/dbraw/zinc/33/26/66/381332666.db2.gz GAWHGUXFWJBAHX-ZBFHGGJFSA-N 0 3 289.423 2.943 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000184366086 381406960 /nfs/dbraw/zinc/40/69/60/381406960.db2.gz YFQAUOXZTCUAID-RYUDHWBXSA-N 0 3 286.400 2.690 20 30 CFEDHN Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1C#N ZINC000370246381 381411623 /nfs/dbraw/zinc/41/16/23/381411623.db2.gz FHRZNSMMEMWSOP-KRWDZBQOSA-N 0 3 297.402 2.567 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296418113 381387268 /nfs/dbraw/zinc/38/72/68/381387268.db2.gz LGGRXWZQYDIWCW-KEYYUXOJSA-N 0 3 273.376 2.950 20 30 CFEDHN C[C@H](CC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348248374 381475968 /nfs/dbraw/zinc/47/59/68/381475968.db2.gz UZHSQUYIAQFVKF-MLGOLLRUSA-N 0 3 281.359 2.545 20 30 CFEDHN Cn1ccnc1[C@@H](NCC(C)(C)CCC#N)C1CC1 ZINC000348248805 381476071 /nfs/dbraw/zinc/47/60/71/381476071.db2.gz XPVQZSRFNFWNPO-ZDUSSCGKSA-N 0 3 260.385 2.791 20 30 CFEDHN C=CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348269247 381478462 /nfs/dbraw/zinc/47/84/62/381478462.db2.gz DCJWIXDLWPPESU-KRWDZBQOSA-N 0 3 293.370 2.665 20 30 CFEDHN C=CCOCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000348036279 381454393 /nfs/dbraw/zinc/45/43/93/381454393.db2.gz QPXXGDFBLBATII-MRXNPFEDSA-N 0 3 267.413 2.860 20 30 CFEDHN C=CCOCCCN1CCS[C@H]2CCCC[C@H]21 ZINC000348044961 381455713 /nfs/dbraw/zinc/45/57/13/381455713.db2.gz CDUKEFAJWVQGIY-KGLIPLIRSA-N 0 3 255.427 2.939 20 30 CFEDHN CC[C@H](C)N(C)CCNc1cc(C(C)=O)ccc1C#N ZINC000290629799 381504286 /nfs/dbraw/zinc/50/42/86/381504286.db2.gz MKCLGRXHOYTSPT-LBPRGKRZSA-N 0 3 273.380 2.903 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)C1CCC(C)CC1 ZINC000342726550 381504639 /nfs/dbraw/zinc/50/46/39/381504639.db2.gz GCEAHUFNKFZKSB-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(Cl)CN1CCC2(C[C@@H]2c2nnc(C)o2)CC1 ZINC000370811947 381509556 /nfs/dbraw/zinc/50/95/56/381509556.db2.gz TXYMJGMLXPJVHE-LLVKDONJSA-N 0 3 267.760 2.700 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000185105369 381537627 /nfs/dbraw/zinc/53/76/27/381537627.db2.gz RVNNKFSQTXXQLK-AWEZNQCLSA-N 0 3 274.408 2.967 20 30 CFEDHN Cn1cc(CNCc2cccc3cc[nH]c32)cc1C#N ZINC000359668479 381544508 /nfs/dbraw/zinc/54/45/08/381544508.db2.gz BQBPUTQUWXZRJP-UHFFFAOYSA-N 0 3 264.332 2.668 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)[C@@](C)(C#N)CC ZINC000342794262 381545142 /nfs/dbraw/zinc/54/51/42/381545142.db2.gz KXYJVKOIXWFRSQ-MRXNPFEDSA-N 0 3 279.428 2.651 20 30 CFEDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000354987188 381552765 /nfs/dbraw/zinc/55/27/65/381552765.db2.gz ZZOJHBLHRQMZEY-KNXALSJPSA-N 0 3 292.354 2.542 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000354984613 381550118 /nfs/dbraw/zinc/55/01/18/381550118.db2.gz WIBQYKCKGBRWNO-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)CC1 ZINC000342759125 381522051 /nfs/dbraw/zinc/52/20/51/381522051.db2.gz OROSQHDACSOVFZ-CABCVRRESA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCN(C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000342762948 381522733 /nfs/dbraw/zinc/52/27/33/381522733.db2.gz HYRPCUBBAIIERO-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN CC#CCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000185088050 381531958 /nfs/dbraw/zinc/53/19/58/381531958.db2.gz ZXSWAFBOQYTENE-UHFFFAOYSA-N 0 3 298.430 2.961 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000359719292 381577040 /nfs/dbraw/zinc/57/70/40/381577040.db2.gz PWKHRVYVLNCUOH-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC[C@@H](C)NCC(=O)N1CCCc2ccccc21 ZINC000185192893 381558473 /nfs/dbraw/zinc/55/84/73/381558473.db2.gz IIMFPANTIIAQSW-CQSZACIVSA-N 0 3 272.392 2.910 20 30 CFEDHN C[C@H]1CCC[C@@H](CN2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000355084556 381602648 /nfs/dbraw/zinc/60/26/48/381602648.db2.gz VMGAELIJAYNQNI-JKSUJKDBSA-N 0 3 298.434 2.902 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2OC(F)F)cc1F ZINC000348520472 381603616 /nfs/dbraw/zinc/60/36/16/381603616.db2.gz JWVOZTHIMLMVMX-QWHCGFSZSA-N 0 3 284.281 2.947 20 30 CFEDHN Cc1nsc(NCC[C@@H](C)N2CCCCC2)c1C#N ZINC000342848653 381584445 /nfs/dbraw/zinc/58/44/45/381584445.db2.gz IUTNSCLMEQDKEZ-LLVKDONJSA-N 0 3 278.425 3.000 20 30 CFEDHN CC#CCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185274195 381584711 /nfs/dbraw/zinc/58/47/11/381584711.db2.gz XDUJLBHFFNVORF-GFCCVEGCSA-N 0 3 285.313 2.952 20 30 CFEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000359738810 381588156 /nfs/dbraw/zinc/58/81/56/381588156.db2.gz JBYHQAUXRVSPBE-LXIYXOSZSA-N 0 3 295.386 2.940 20 30 CFEDHN CCOC[C@@H](NCc1ccc(C#N)c(F)c1)C(C)C ZINC000348482482 381588657 /nfs/dbraw/zinc/58/86/57/381588657.db2.gz XLSCYBHPKSCDFE-OAHLLOKOSA-N 0 3 264.344 2.848 20 30 CFEDHN CCN(CCC1CC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000355066802 381592446 /nfs/dbraw/zinc/59/24/46/381592446.db2.gz VUEJIMKXABMQSK-KRWDZBQOSA-N 0 3 297.402 2.786 20 30 CFEDHN Cn1cc([C@H](NCc2cc(C#N)n(C)c2)C(C)(C)C)cn1 ZINC000359746057 381593973 /nfs/dbraw/zinc/59/39/73/381593973.db2.gz HAISLJHJBXYZIK-HNNXBMFYSA-N 0 3 285.395 2.507 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](CO)[C@H]2C)cc1 ZINC000414564342 381594899 /nfs/dbraw/zinc/59/48/99/381594899.db2.gz DJSIGYORNOKWLG-ZBFHGGJFSA-N 0 3 275.392 2.844 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC[C@@H]1OC(F)F ZINC000348527717 381611551 /nfs/dbraw/zinc/61/15/51/381611551.db2.gz IJQLTXMLSLFPCI-OLZOCXBDSA-N 0 3 296.317 2.817 20 30 CFEDHN C=CCN1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185384170 381619290 /nfs/dbraw/zinc/61/92/90/381619290.db2.gz ZJBCMGYIUDYJIJ-GFCCVEGCSA-N 0 3 278.371 2.832 20 30 CFEDHN CC(C)N(C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371414934 381621048 /nfs/dbraw/zinc/62/10/48/381621048.db2.gz NLZSXJBJRISMND-UHFFFAOYSA-N 0 3 297.402 2.514 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(C#N)c2F)[C@@H]2CCO[C@@H]21 ZINC000355120436 381625711 /nfs/dbraw/zinc/62/57/11/381625711.db2.gz JVWKGKCWBMCRNV-CFVMTHIKSA-N 0 3 274.339 2.600 20 30 CFEDHN C#CCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371450727 381630230 /nfs/dbraw/zinc/63/02/30/381630230.db2.gz NPNNNDKAFINZMR-LBPRGKRZSA-N 0 3 284.281 2.577 20 30 CFEDHN CC[C@H](C(=O)N[C@H](C#N)C1CCCCC1)N(CC)CC ZINC000359863817 381646825 /nfs/dbraw/zinc/64/68/25/381646825.db2.gz ZMNPVYAKXOKOEI-HUUCEWRRSA-N 0 3 279.428 2.695 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000185521251 381656020 /nfs/dbraw/zinc/65/60/20/381656020.db2.gz QCQPEVXQWJXHCH-OAHLLOKOSA-N 0 3 286.419 2.673 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000371545711 381656379 /nfs/dbraw/zinc/65/63/79/381656379.db2.gz WYNKEOGBZRTGKB-GFCCVEGCSA-N 0 3 271.339 2.994 20 30 CFEDHN Cc1cc(CN[C@@H]2CCO[C@H]2c2cccnc2)ccc1C#N ZINC000343397410 381686649 /nfs/dbraw/zinc/68/66/49/381686649.db2.gz WLSPWRYRSQJOEC-MSOLQXFVSA-N 0 3 293.370 2.882 20 30 CFEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298649291 381699475 /nfs/dbraw/zinc/69/94/75/381699475.db2.gz LLGMJMDXZHFRHE-QGZVFWFLSA-N 0 3 299.418 2.645 20 30 CFEDHN N#CCCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000371789914 381702068 /nfs/dbraw/zinc/70/20/68/381702068.db2.gz UYKBLAPQJQODSE-HNNXBMFYSA-N 0 3 250.386 2.961 20 30 CFEDHN C=CCCN(C)Cc1ccc(OCCOC)c(OC)c1 ZINC000343471959 381737093 /nfs/dbraw/zinc/73/70/93/381737093.db2.gz PTKIDSPFMGJXGA-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN CCC[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000348812770 381720650 /nfs/dbraw/zinc/72/06/50/381720650.db2.gz VZTKWNUVIXSVSR-QGZVFWFLSA-N 0 3 299.418 2.829 20 30 CFEDHN C[C@@H](C(=O)NCCN1CCCCCC1)c1cccc(C#N)c1 ZINC000360003894 381720843 /nfs/dbraw/zinc/72/08/43/381720843.db2.gz VSRMUMNSIMVMHT-OAHLLOKOSA-N 0 3 299.418 2.654 20 30 CFEDHN Cc1ccnc(N[C@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000343544960 381785953 /nfs/dbraw/zinc/78/59/53/381785953.db2.gz ZBEDFAFXFGSBBH-TZMCWYRMSA-N 0 3 272.396 2.794 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000360137923 381766725 /nfs/dbraw/zinc/76/67/25/381766725.db2.gz YINOAYJJUFAHKN-OLZOCXBDSA-N 0 3 256.349 2.973 20 30 CFEDHN C[C@H]1CCN(C)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000360279021 381775267 /nfs/dbraw/zinc/77/52/67/381775267.db2.gz MTNFYEIZAJRWAL-JTQLQIEISA-N 0 3 298.312 2.502 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC(F)(F)[C@@H](CO)C1 ZINC000361409610 381827971 /nfs/dbraw/zinc/82/79/71/381827971.db2.gz WNBGCSWWWOYPGW-GFCCVEGCSA-N 0 3 274.355 2.656 20 30 CFEDHN Cc1ccc(CN(CCO)CCCC(C)(C)C#N)o1 ZINC000361523893 381840745 /nfs/dbraw/zinc/84/07/45/381840745.db2.gz HFLKNFMYZAOIEJ-UHFFFAOYSA-N 0 3 264.369 2.712 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000372597950 381842224 /nfs/dbraw/zinc/84/22/24/381842224.db2.gz CJEVHYWQVOEZOC-MRXNPFEDSA-N 0 3 295.386 2.858 20 30 CFEDHN C=CCCOCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186186366 381845525 /nfs/dbraw/zinc/84/55/25/381845525.db2.gz ZLIPMBJJPCLPDT-LLVKDONJSA-N 0 3 253.317 2.775 20 30 CFEDHN CC(C#N)C(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000361125388 381803052 /nfs/dbraw/zinc/80/30/52/381803052.db2.gz IIZROVCVFVZDDA-NSHDSACASA-N 0 3 260.312 2.567 20 30 CFEDHN C=CCN(CCCC#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343570862 381806497 /nfs/dbraw/zinc/80/64/97/381806497.db2.gz ATZWYQJGUOMWOR-CQSZACIVSA-N 0 3 296.378 2.515 20 30 CFEDHN CC#CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000361280463 381818887 /nfs/dbraw/zinc/81/88/87/381818887.db2.gz CCTBGCPJQLYZAK-QGZVFWFLSA-N 0 3 299.418 2.536 20 30 CFEDHN C=CCN(CCOC)CCOc1ccc(Cl)c(F)c1 ZINC000361996019 381878121 /nfs/dbraw/zinc/87/81/21/381878121.db2.gz LQTUOBLBYDDNMP-UHFFFAOYSA-N 0 3 287.762 2.992 20 30 CFEDHN C=CCN(C(=O)C[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000416198200 381881526 /nfs/dbraw/zinc/88/15/26/381881526.db2.gz YVIAKUORCOGCCN-MRXNPFEDSA-N 0 3 272.392 2.856 20 30 CFEDHN CN(C)[C@@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 ZINC000416170358 381882093 /nfs/dbraw/zinc/88/20/93/381882093.db2.gz JYGZNTQDNPRZMN-GJZGRUSLSA-N 0 3 287.407 2.734 20 30 CFEDHN C=C(C)CCNC(=O)CCN1CCc2ccccc2C1 ZINC000416242974 381883731 /nfs/dbraw/zinc/88/37/31/381883731.db2.gz GYUVRWFSDBDGPQ-UHFFFAOYSA-N 0 3 272.392 2.517 20 30 CFEDHN C=CCC[C@H](C(=O)NCC1(N(C)C)CC1)c1ccccc1 ZINC000416306524 381885124 /nfs/dbraw/zinc/88/51/24/381885124.db2.gz GKEYTBMICLTXMM-INIZCTEOSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2C[C@H]2c2ccccc2)C1=O ZINC000343623723 381850304 /nfs/dbraw/zinc/85/03/04/381850304.db2.gz PJZXGSHMIJCYLT-ULQDDVLXSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CCOCCN(C)[C@H](C)Cc1ccccc1OC ZINC000292829382 381853381 /nfs/dbraw/zinc/85/33/81/381853381.db2.gz OPWAXCGHOWWQPI-CQSZACIVSA-N 0 3 263.381 2.761 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000343630026 381853545 /nfs/dbraw/zinc/85/35/45/381853545.db2.gz ZSXXQOVCSMGXSD-SQWLQELKSA-N 0 3 266.429 2.968 20 30 CFEDHN CN(Cc1ccccc1)C1CN(c2ccc(C#N)cc2)C1 ZINC000343629137 381854375 /nfs/dbraw/zinc/85/43/75/381854375.db2.gz LALOXPIGSQGYDY-UHFFFAOYSA-N 0 3 277.371 2.879 20 30 CFEDHN C=CCCN(C)Cc1cccc(Br)n1 ZINC000292851443 381865013 /nfs/dbraw/zinc/86/50/13/381865013.db2.gz NVATYERRBHBQHR-UHFFFAOYSA-N 0 3 255.159 2.852 20 30 CFEDHN COCC1(C)CCN(CC#Cc2ccccc2)CC1 ZINC000361860816 381867592 /nfs/dbraw/zinc/86/75/92/381867592.db2.gz QFWIFFWZZZIBLH-UHFFFAOYSA-N 0 3 257.377 2.787 20 30 CFEDHN Clc1cccc(C#CCN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000372796551 381870471 /nfs/dbraw/zinc/87/04/71/381870471.db2.gz CFBZLYJUNSSKRC-HOTGVXAUSA-N 0 3 275.779 2.849 20 30 CFEDHN C=CCN(C(=O)Nc1ccc2c(c1F)CCNC2)C1CC1 ZINC000415965974 381870534 /nfs/dbraw/zinc/87/05/34/381870534.db2.gz BDNQBHHBEUEAML-UHFFFAOYSA-N 0 3 289.354 2.654 20 30 CFEDHN N#Cc1csc(CNC[C@@H](CO)Cc2ccccc2)c1 ZINC000343660795 381873904 /nfs/dbraw/zinc/87/39/04/381873904.db2.gz CSUGBAGBEGYBKI-HNNXBMFYSA-N 0 3 286.400 2.561 20 30 CFEDHN C[C@H](NCC1(CO)CCCC1)c1ccc(C#N)cc1F ZINC000349343861 381899657 /nfs/dbraw/zinc/89/96/57/381899657.db2.gz QVYDQPSJFJNQKS-LBPRGKRZSA-N 0 3 276.355 2.901 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000373114631 381931323 /nfs/dbraw/zinc/93/13/23/381931323.db2.gz BRALUSYQRJMZIW-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC(C)(C)O1 ZINC000186495294 381927240 /nfs/dbraw/zinc/92/72/40/381927240.db2.gz XWHFZNVCAQGNCY-HNNXBMFYSA-N 0 3 258.365 2.948 20 30 CFEDHN C=C(CNCc1cnc2cnccn12)c1ccccc1 ZINC000343756252 381927936 /nfs/dbraw/zinc/92/79/36/381927936.db2.gz BAXDUAFZFHABPF-UHFFFAOYSA-N 0 3 264.332 2.532 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000362147287 381929130 /nfs/dbraw/zinc/92/91/30/381929130.db2.gz QALUBEOWDNUIIP-RRFJBIMHSA-N 0 3 266.429 2.968 20 30 CFEDHN CC#CCN(C)CCCC(=O)Nc1c(C)cccc1C ZINC000293031274 381958974 /nfs/dbraw/zinc/95/89/74/381958974.db2.gz GHHVIFFQNPJNQR-UHFFFAOYSA-N 0 3 272.392 2.977 20 30 CFEDHN CC#CCCCC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000362231409 381966024 /nfs/dbraw/zinc/96/60/24/381966024.db2.gz SYVJGNPVIZAFSQ-UHFFFAOYSA-N 0 3 288.391 2.759 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000343779250 381936341 /nfs/dbraw/zinc/93/63/41/381936341.db2.gz ZLOVFQZIMWPCRP-RQJABVFESA-N 0 3 252.402 2.719 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1cnc(C#N)cn1)N(C)C ZINC000343801839 381949393 /nfs/dbraw/zinc/94/93/93/381949393.db2.gz DOZNNFVYEZXABP-SUMWQHHRSA-N 0 3 295.390 2.760 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000362301657 381998992 /nfs/dbraw/zinc/99/89/92/381998992.db2.gz TUDISLUGTPLENL-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000362301661 381999559 /nfs/dbraw/zinc/99/95/59/381999559.db2.gz TUDISLUGTPLENL-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H](CO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186701510 381988368 /nfs/dbraw/zinc/98/83/68/381988368.db2.gz HONOGXLFVSPFFG-DOMZBBRYSA-N 0 3 275.392 2.859 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000357050527 381988843 /nfs/dbraw/zinc/98/88/43/381988843.db2.gz AVJAQGHROFEDAM-LDWIPMOCSA-N 0 3 292.207 2.844 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)C/C=C/C)cc1 ZINC000349792909 381990410 /nfs/dbraw/zinc/99/04/10/381990410.db2.gz SVRYYIMYYHBKBN-UJAVWCLSSA-N 0 3 261.365 2.668 20 30 CFEDHN C=CCOc1cccc(CN[C@H](C(=O)NCC)C(C)C)c1 ZINC000293101531 381991645 /nfs/dbraw/zinc/99/16/45/381991645.db2.gz XUEROQARLFBQNJ-INIZCTEOSA-N 0 3 290.407 2.502 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000349827331 381992697 /nfs/dbraw/zinc/99/26/97/381992697.db2.gz JCBAPCXMTWKESO-HUUCEWRRSA-N 0 3 266.348 2.654 20 30 CFEDHN CCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349828806 381993797 /nfs/dbraw/zinc/99/37/97/381993797.db2.gz NOVFOWWRUMFPLC-OCCSQVGLSA-N 0 3 274.364 2.876 20 30 CFEDHN CCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000349828807 381993833 /nfs/dbraw/zinc/99/38/33/381993833.db2.gz NOVFOWWRUMFPLC-TZMCWYRMSA-N 0 3 274.364 2.876 20 30 CFEDHN C#CCCOc1ccc(CNC[C@H](OC)C2CC2)cc1 ZINC000293237787 382042518 /nfs/dbraw/zinc/04/25/18/382042518.db2.gz ZOKINFMYQGTTMV-KRWDZBQOSA-N 0 3 273.376 2.603 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1F ZINC000300291647 382060546 /nfs/dbraw/zinc/06/05/46/382060546.db2.gz HYJZQSRVVRZDPZ-BZUAXINKSA-N 0 3 288.366 2.823 20 30 CFEDHN C=C(C)CCN1CCCN(CC(F)(F)F)CC1 ZINC000351850701 382065987 /nfs/dbraw/zinc/06/59/87/382065987.db2.gz HSDUPQZJFXVICZ-UHFFFAOYSA-N 0 3 250.308 2.523 20 30 CFEDHN C=CCC(CC=C)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375873066 382109614 /nfs/dbraw/zinc/10/96/14/382109614.db2.gz MLCAZKXOWBRCNG-ZBFHGGJFSA-N 0 3 276.424 2.840 20 30 CFEDHN CC(C)=CCN(C)CCOCc1ccc(C#N)cc1 ZINC000344076405 382111325 /nfs/dbraw/zinc/11/13/25/382111325.db2.gz UJTRYPSFNFKUJL-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN CC#CCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418037898 382113196 /nfs/dbraw/zinc/11/31/96/382113196.db2.gz YACYOVJNKVDFPF-QGZVFWFLSA-N 0 3 295.386 2.552 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000375964629 382113854 /nfs/dbraw/zinc/11/38/54/382113854.db2.gz OKXZUHVDTASASL-QGZVFWFLSA-N 0 3 284.403 2.758 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000293320164 382078364 /nfs/dbraw/zinc/07/83/64/382078364.db2.gz ZQTKOBYATVRBGZ-ZDUSSCGKSA-N 0 3 279.428 2.538 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(F)(c2cccnc2)CC1 ZINC000375361163 382080603 /nfs/dbraw/zinc/08/06/03/382080603.db2.gz KTYNOWMMBOPDKK-OAHLLOKOSA-N 0 3 278.371 2.669 20 30 CFEDHN CC#CCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000375406252 382084833 /nfs/dbraw/zinc/08/48/33/382084833.db2.gz UKDXKLAUSRUONU-QGZVFWFLSA-N 0 3 255.361 2.921 20 30 CFEDHN C#CCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000375429948 382086481 /nfs/dbraw/zinc/08/64/81/382086481.db2.gz UNXXVHDNSSASCR-GOSISDBHSA-N 0 3 298.430 2.818 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000362489120 382096977 /nfs/dbraw/zinc/09/69/77/382096977.db2.gz TXIYVMZPKZYOBR-CYBMUJFWSA-N 0 3 271.339 2.994 20 30 CFEDHN C#Cc1ccc(CN(C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000375734182 382098001 /nfs/dbraw/zinc/09/80/01/382098001.db2.gz DRRIMRXUYCVTJE-KRWDZBQOSA-N 0 3 279.387 2.911 20 30 CFEDHN N#Cc1cccc(OCCCN2CCC23CCC3)c1 ZINC000357311583 382101406 /nfs/dbraw/zinc/10/14/06/382101406.db2.gz XBUMAHUMWHAJCW-UHFFFAOYSA-N 0 3 256.349 2.956 20 30 CFEDHN CCCCN1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000344184476 382186116 /nfs/dbraw/zinc/18/61/16/382186116.db2.gz AYXQLVYBZTZGRI-AWEZNQCLSA-N 0 3 275.396 2.895 20 30 CFEDHN C[C@H](F)CCN(C)CCOCc1ccc(C#N)cc1 ZINC000344102157 382129627 /nfs/dbraw/zinc/12/96/27/382129627.db2.gz DTDBEMIWHSAJLQ-ZDUSSCGKSA-N 0 3 264.344 2.755 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418258097 382139785 /nfs/dbraw/zinc/13/97/85/382139785.db2.gz FLTPDFXIMVJLQQ-OAHLLOKOSA-N 0 3 275.396 2.514 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000344119286 382140591 /nfs/dbraw/zinc/14/05/91/382140591.db2.gz QVTBLJWOCWSDRD-VCTAVGKDSA-N 0 3 276.355 2.846 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000293491466 382144022 /nfs/dbraw/zinc/14/40/22/382144022.db2.gz NDIROBRQZALECF-GOSISDBHSA-N 0 3 298.361 2.733 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000344126944 382145380 /nfs/dbraw/zinc/14/53/80/382145380.db2.gz DBUBEWIXSMCJKG-BIGNPOOSSA-N 0 3 294.301 2.541 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCC2CCN(C)CC2)c1 ZINC000362585266 382160580 /nfs/dbraw/zinc/16/05/80/382160580.db2.gz CMXXXONQGCMGCI-UHFFFAOYSA-N 0 3 271.364 2.515 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)c2cccc(F)c2C#N)CCN1C ZINC000301397967 382169152 /nfs/dbraw/zinc/16/91/52/382169152.db2.gz AKGRWQGYWZXRFL-NEPJUHHUSA-N 0 3 261.344 2.616 20 30 CFEDHN C#CCNC(=O)CCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000293549332 382170284 /nfs/dbraw/zinc/17/02/84/382170284.db2.gz RBSOHIUFPYUUBQ-UHFFFAOYSA-N 0 3 299.201 2.565 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000376956353 382194802 /nfs/dbraw/zinc/19/48/02/382194802.db2.gz FYTJPQWCGFHPDD-YJBOKZPZSA-N 0 3 278.355 2.869 20 30 CFEDHN CC(C)(CCC#N)CNCc1nccn1CC(F)(F)F ZINC000344210797 382201003 /nfs/dbraw/zinc/20/10/03/382201003.db2.gz LTHIMORSWZJTDQ-UHFFFAOYSA-N 0 3 288.317 2.865 20 30 CFEDHN C=CCN(C[C@@H](O)COc1ccc(C)cc1C)C1CC1 ZINC000357532182 382210891 /nfs/dbraw/zinc/21/08/91/382210891.db2.gz PIKASNYGEBRZIO-MRXNPFEDSA-N 0 3 275.392 2.694 20 30 CFEDHN C=CCN(C[C@H](O)COc1ccc(C)cc1C)C1CC1 ZINC000357532121 382211326 /nfs/dbraw/zinc/21/13/26/382211326.db2.gz PIKASNYGEBRZIO-INIZCTEOSA-N 0 3 275.392 2.694 20 30 CFEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1cc(C#N)cs1 ZINC000344225614 382211594 /nfs/dbraw/zinc/21/15/94/382211594.db2.gz WAASZERWPSNZSQ-JTQLQIEISA-N 0 3 280.393 2.830 20 30 CFEDHN C=CCOCCN[C@H](C)[C@@H]1OCCc2sccc21 ZINC000293647075 382212759 /nfs/dbraw/zinc/21/27/59/382212759.db2.gz SDYOGTCCHIWECR-RISCZKNCSA-N 0 3 267.394 2.543 20 30 CFEDHN Cc1ccc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)nc1C#N ZINC000357683619 382277056 /nfs/dbraw/zinc/27/70/56/382277056.db2.gz IMKLYKNRFHRGJT-KBXCAEBGSA-N 0 3 294.402 2.787 20 30 CFEDHN N#Cc1cccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293731472 382254893 /nfs/dbraw/zinc/25/48/93/382254893.db2.gz UWOPAMMUOMUIQX-KRWDZBQOSA-N 0 3 282.387 2.949 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000187715785 382255067 /nfs/dbraw/zinc/25/50/67/382255067.db2.gz PJKOXTWJVWQWHU-HOCLYGCPSA-N 0 3 295.390 2.623 20 30 CFEDHN CCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OCC ZINC000345841849 382317395 /nfs/dbraw/zinc/31/73/95/382317395.db2.gz KLXIRQRYUQTVHQ-RYUDHWBXSA-N 0 3 290.363 2.821 20 30 CFEDHN N#Cc1ccc(N2CCN3CCC2CC3)cc1C(F)(F)F ZINC000302784308 382317914 /nfs/dbraw/zinc/31/79/14/382317914.db2.gz UOMGYTIHCIYNSE-UHFFFAOYSA-N 0 3 295.308 2.861 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC000188011699 382324743 /nfs/dbraw/zinc/32/47/43/382324743.db2.gz FEWPNLSBQHKCJH-SUMWQHHRSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1cc(Cl)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000345990612 382326462 /nfs/dbraw/zinc/32/64/62/382326462.db2.gz JRHQEIMSNSQPPC-LBPRGKRZSA-N 0 3 287.706 2.629 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H]2CCCC[C@H]21 ZINC000377723204 382330452 /nfs/dbraw/zinc/33/04/52/382330452.db2.gz MLXAUNNVACIEEG-RRFJBIMHSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000357822701 382338579 /nfs/dbraw/zinc/33/85/79/382338579.db2.gz USXLAYKEJILZQT-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCCC[C@H]1CC ZINC000352457269 382342889 /nfs/dbraw/zinc/34/28/89/382342889.db2.gz VNZVPKMKRBRGRU-WBVHZDCISA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C)CC2)CC1 ZINC000188092948 382343364 /nfs/dbraw/zinc/34/33/64/382343364.db2.gz AVRQSRHNTJVBCI-GJZGRUSLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287024 382295873 /nfs/dbraw/zinc/29/58/73/382295873.db2.gz XKZJDSPSUUZPNM-GXTWGEPZSA-N 0 3 279.428 2.782 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287025 382296443 /nfs/dbraw/zinc/29/64/43/382296443.db2.gz XKZJDSPSUUZPNM-JSGCOSHPSA-N 0 3 279.428 2.782 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287027 382296650 /nfs/dbraw/zinc/29/66/50/382296650.db2.gz XKZJDSPSUUZPNM-TZMCWYRMSA-N 0 3 279.428 2.782 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000357739609 382299907 /nfs/dbraw/zinc/29/99/07/382299907.db2.gz ILVOTJCKMJFCNT-CABCVRRESA-N 0 3 299.418 2.685 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000293953269 382351616 /nfs/dbraw/zinc/35/16/16/382351616.db2.gz KHOHSPATNKUAIC-CYBMUJFWSA-N 0 3 292.810 2.515 20 30 CFEDHN CCc1nc(C)c([C@@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000346417259 382353458 /nfs/dbraw/zinc/35/34/58/382353458.db2.gz UJXLIITXCNCJLK-PSASIEDQSA-N 0 3 265.382 2.693 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2cnccc2C#N)C1 ZINC000364900223 382357933 /nfs/dbraw/zinc/35/79/33/382357933.db2.gz IGNOLTWFMASPDJ-QGZVFWFLSA-N 0 3 292.386 2.664 20 30 CFEDHN C=C(C)CN1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000365105426 382362078 /nfs/dbraw/zinc/36/20/78/382362078.db2.gz QFHLYJWSYQXYCG-UHFFFAOYSA-N 0 3 273.380 2.617 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000680484469 542330439 /nfs/dbraw/zinc/33/04/39/542330439.db2.gz KNDBGBHMUOGOKK-LBPRGKRZSA-N 0 3 271.307 2.623 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OCC1CC1 ZINC000680484204 542330556 /nfs/dbraw/zinc/33/05/56/542330556.db2.gz HENYHRRMQLRQFB-OAHLLOKOSA-N 0 3 261.365 2.502 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OCc1cccnc1 ZINC000680484191 542330695 /nfs/dbraw/zinc/33/06/95/542330695.db2.gz GTRRZBAGQVFUCQ-KRWDZBQOSA-N 0 3 298.386 2.687 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000680484468 542330715 /nfs/dbraw/zinc/33/07/15/542330715.db2.gz KNDBGBHMUOGOKK-GFCCVEGCSA-N 0 3 271.307 2.623 20 30 CFEDHN C[C@@H]1CC[C@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC000365264639 382368802 /nfs/dbraw/zinc/36/88/02/382368802.db2.gz VYNGYFLDHJQSDO-CJNGLKHVSA-N 0 3 257.381 2.909 20 30 CFEDHN CC(C)C1(C)CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346517167 382393631 /nfs/dbraw/zinc/39/36/31/382393631.db2.gz CYBMEPSGKNPZCP-AWEZNQCLSA-N 0 3 291.439 2.695 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000352465293 382347268 /nfs/dbraw/zinc/34/72/68/382347268.db2.gz HFNPIAGFVQJZQW-OAHLLOKOSA-N 0 3 293.370 2.662 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000305095296 382422715 /nfs/dbraw/zinc/42/27/15/382422715.db2.gz RVCKLESVALMMOZ-OAHLLOKOSA-N 0 3 293.382 2.996 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[C@@H]1O ZINC000352661906 382439182 /nfs/dbraw/zinc/43/91/82/382439182.db2.gz VLBUHHCYOOZPHE-GJZGRUSLSA-N 0 3 297.320 2.902 20 30 CFEDHN CCN1CCN(Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000352669043 382444234 /nfs/dbraw/zinc/44/42/34/382444234.db2.gz WVJZGKMBPIEUHL-LBPRGKRZSA-N 0 3 277.799 2.738 20 30 CFEDHN CCC1(CC)CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346558136 382413121 /nfs/dbraw/zinc/41/31/21/382413121.db2.gz DZBVRZBCHBEWHO-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](O)C[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352827143 382476205 /nfs/dbraw/zinc/47/62/05/382476205.db2.gz XPMRBQQAWVRWNC-VHSXEESVSA-N 0 3 286.297 2.826 20 30 CFEDHN C=CCOc1cccc(CNCCC(C)(C)C(=O)OC)c1 ZINC000352914869 382483145 /nfs/dbraw/zinc/48/31/45/382483145.db2.gz NAKASPRPDNNNDL-UHFFFAOYSA-N 0 3 291.391 2.930 20 30 CFEDHN C=CCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000352917809 382483216 /nfs/dbraw/zinc/48/32/16/382483216.db2.gz ZLQBAMKQHBYWNM-UHFFFAOYSA-N 0 3 281.359 2.751 20 30 CFEDHN CC(C)(CN1CCCC1)Nc1nccc(C#N)c1Cl ZINC000308666421 382484118 /nfs/dbraw/zinc/48/41/18/382484118.db2.gz GOHSWNLEBULURZ-UHFFFAOYSA-N 0 3 278.787 2.893 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353066759 382490319 /nfs/dbraw/zinc/49/03/19/382490319.db2.gz CHADZPCZTNKHHD-FUHWJXTLSA-N 0 3 299.418 2.707 20 30 CFEDHN CN(CCCO[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000353056080 382491025 /nfs/dbraw/zinc/49/10/25/382491025.db2.gz HSHAETQZNYXALM-QGZVFWFLSA-N 0 3 288.391 2.923 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC(C3CCCC3)C2)cc1 ZINC000366505889 382523036 /nfs/dbraw/zinc/52/30/36/382523036.db2.gz QMRLJBIAGJNLLA-QGZVFWFLSA-N 0 3 270.376 2.714 20 30 CFEDHN C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCCC#N ZINC000420924718 382499197 /nfs/dbraw/zinc/49/91/97/382499197.db2.gz KILZGURPGMESEJ-STQMWFEESA-N 0 3 266.385 2.732 20 30 CFEDHN COc1cc(CN[C@H]2CCS[C@H]2C)ccc1C#N ZINC000310905659 382499331 /nfs/dbraw/zinc/49/93/31/382499331.db2.gz XAKDCOFQZXNFOS-GWCFXTLKSA-N 0 3 262.378 2.550 20 30 CFEDHN OCC[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000421010574 382505159 /nfs/dbraw/zinc/50/51/59/382505159.db2.gz GDUIUMBRBAEYOB-QGZVFWFLSA-N 0 3 257.377 2.523 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](O)CC[C@H]2C)c1 ZINC000421381555 382515072 /nfs/dbraw/zinc/51/50/72/382515072.db2.gz XETWNIBFEPWONT-HIFRSBDPSA-N 0 3 261.365 2.597 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1c(Cl)cccc1Cl ZINC000328145938 382545297 /nfs/dbraw/zinc/54/52/97/382545297.db2.gz CXALTQKCSJTUSV-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000358287075 382549050 /nfs/dbraw/zinc/54/90/50/382549050.db2.gz AFPPAFXLMGVDMJ-NEPJUHHUSA-N 0 3 282.409 2.673 20 30 CFEDHN C[C@H](Cc1cnn(C)c1)N[C@H](C)c1ccc(C#N)cc1F ZINC000346893615 382561977 /nfs/dbraw/zinc/56/19/77/382561977.db2.gz XOSQBBWQZLXSPA-VXGBXAGGSA-N 0 3 286.354 2.713 20 30 CFEDHN CC(C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346896477 382563481 /nfs/dbraw/zinc/56/34/81/382563481.db2.gz YCAHBUPVHNBFOP-MRXNPFEDSA-N 0 3 285.391 2.536 20 30 CFEDHN C#Cc1ccc(CN2CC(C)(C)O[C@]3(CCCOC3)C2)cc1 ZINC000367377286 382566543 /nfs/dbraw/zinc/56/65/43/382566543.db2.gz IWYZRDWQJDGMQI-LJQANCHMSA-N 0 3 299.414 2.828 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000358324736 382568009 /nfs/dbraw/zinc/56/80/09/382568009.db2.gz XBIUMHKBOQNUHK-MNOVXSKESA-N 0 3 262.353 2.879 20 30 CFEDHN COc1cc(CN2CC[C@@H](OC)C(C)(C)C2)ccc1C#N ZINC000295054911 382569235 /nfs/dbraw/zinc/56/92/35/382569235.db2.gz PVLKAFYBIMTKRX-MRXNPFEDSA-N 0 3 288.391 2.814 20 30 CFEDHN CC[C@@H](C)N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000346827137 382531826 /nfs/dbraw/zinc/53/18/26/382531826.db2.gz OTXRQBLZZOTHBN-OAHLLOKOSA-N 0 3 299.418 2.850 20 30 CFEDHN C=CCCCN(C)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000346962831 382587562 /nfs/dbraw/zinc/58/75/62/382587562.db2.gz OBSRTHHFXQQJQK-UHFFFAOYSA-N 0 3 294.361 2.931 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCCC2)s1 ZINC000386376159 382588614 /nfs/dbraw/zinc/58/86/14/382588614.db2.gz QUPPKKZIEAWEJK-AWEZNQCLSA-N 0 3 264.394 2.651 20 30 CFEDHN Cc1ccccc1[C@@H](NCC(=O)NC1(C#N)CCC1)C(C)C ZINC000346969778 382592913 /nfs/dbraw/zinc/59/29/13/382592913.db2.gz QKXWWGVZURNJRL-KRWDZBQOSA-N 0 3 299.418 2.844 20 30 CFEDHN CCn1cccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1=O ZINC000353648454 382594364 /nfs/dbraw/zinc/59/43/64/382594364.db2.gz ALOKIXHGXFDNEM-QGZVFWFLSA-N 0 3 293.370 2.517 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2C[C@H](O)C2(C)C)c1 ZINC000189352311 382597616 /nfs/dbraw/zinc/59/76/16/382597616.db2.gz WOCRNWNLMMIPFZ-GJZGRUSLSA-N 0 3 261.365 2.500 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353664144 382599738 /nfs/dbraw/zinc/59/97/38/382599738.db2.gz OWGNUWOMLIRUEF-BFYDXBDKSA-N 0 3 298.386 2.867 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC2CC2)C2CCC2)CC1 ZINC000353718232 382616448 /nfs/dbraw/zinc/61/64/48/382616448.db2.gz IKJUROVRHRZBLW-UHFFFAOYSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000353726605 382618893 /nfs/dbraw/zinc/61/88/93/382618893.db2.gz VGUAPOACSKAUHF-OAHLLOKOSA-N 0 3 293.455 2.857 20 30 CFEDHN Cn1cc(CNCCOc2ccc(Cl)cc2)cc1C#N ZINC000190693228 382677859 /nfs/dbraw/zinc/67/78/59/382677859.db2.gz QNYFIZXUQNLXLQ-UHFFFAOYSA-N 0 3 289.766 2.719 20 30 CFEDHN Cc1cc(C)n(CCN2CCC(CCC#N)CC2)n1 ZINC000399456295 382639059 /nfs/dbraw/zinc/63/90/59/382639059.db2.gz NRXKECZIOWYRBW-UHFFFAOYSA-N 0 3 260.385 2.516 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1F ZINC000191222554 382696335 /nfs/dbraw/zinc/69/63/35/382696335.db2.gz YYYFJKYSSSCLTR-LBPRGKRZSA-N 0 3 287.338 2.593 20 30 CFEDHN Cn1cc(CN2CC[C@H](c3ccccc3)C2)cc1C#N ZINC000191235560 382696861 /nfs/dbraw/zinc/69/68/61/382696861.db2.gz SZHHXMHYYRVROK-INIZCTEOSA-N 0 3 265.360 2.886 20 30 CFEDHN Cn1cc(CN2CCCN(c3ccccc3)CC2)cc1C#N ZINC000191267638 382697350 /nfs/dbraw/zinc/69/73/50/382697350.db2.gz DMXRXSRRWPZFOC-UHFFFAOYSA-N 0 3 294.402 2.609 20 30 CFEDHN COc1ccc(CNCc2cc(C#N)n(C)c2)cc1Cl ZINC000191353053 382698909 /nfs/dbraw/zinc/69/89/09/382698909.db2.gz KGMGFTVERCWOHZ-UHFFFAOYSA-N 0 3 289.766 2.849 20 30 CFEDHN CS[C@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191448398 382700522 /nfs/dbraw/zinc/70/05/22/382700522.db2.gz FQZOCIPQLANHPE-AWEZNQCLSA-N 0 3 263.410 2.614 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2CC)CCC1 ZINC000191569778 382701297 /nfs/dbraw/zinc/70/12/97/382701297.db2.gz OYYYPJDUDKRHLT-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@@H](O)[C@](C)(CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000191719281 382702145 /nfs/dbraw/zinc/70/21/45/382702145.db2.gz FDKXSJYWYZSRKB-KDOFPFPSSA-N 0 3 298.386 2.871 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000191928527 382703388 /nfs/dbraw/zinc/70/33/88/382703388.db2.gz JTWVTJQJTKBTQV-QGZVFWFLSA-N 0 3 284.403 2.571 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC(n2ccnc2)CC1 ZINC000192061805 382704495 /nfs/dbraw/zinc/70/44/95/382704495.db2.gz SLHAKHXXEHYIKD-UHFFFAOYSA-N 0 3 265.360 2.572 20 30 CFEDHN CN(CC#Cc1ccccc1)C1CCC(CO)CC1 ZINC000192119808 382705029 /nfs/dbraw/zinc/70/50/29/382705029.db2.gz LVJTWBXUGMFMEW-UHFFFAOYSA-N 0 3 257.377 2.521 20 30 CFEDHN C#CCCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000192186977 382705279 /nfs/dbraw/zinc/70/52/79/382705279.db2.gz QWVXYOFLETWYPO-HNNXBMFYSA-N 0 3 299.418 2.527 20 30 CFEDHN CC1(C)C[C@H](NCC#Cc2ccccc2)C(C)(C)O1 ZINC000192194017 382705402 /nfs/dbraw/zinc/70/54/02/382705402.db2.gz KFMVKKHLJXLUIJ-HNNXBMFYSA-N 0 3 257.377 2.974 20 30 CFEDHN C=CCC[C@H](O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192365717 382707812 /nfs/dbraw/zinc/70/78/12/382707812.db2.gz SFHDLMNROBXDIE-WFASDCNBSA-N 0 3 261.365 2.686 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000192775048 382712103 /nfs/dbraw/zinc/71/21/03/382712103.db2.gz UUWULSDJORXSSH-YGRLFVJLSA-N 0 3 289.379 2.875 20 30 CFEDHN C[C@H](NC[C@H](O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000192959347 382714035 /nfs/dbraw/zinc/71/40/35/382714035.db2.gz JLIGHRZHADIZSL-KSSFIOAISA-N 0 3 296.370 2.973 20 30 CFEDHN C=Cn1cc(CNCCSCc2ccccc2C#N)cn1 ZINC000194183986 382736960 /nfs/dbraw/zinc/73/69/60/382736960.db2.gz ZOCUHIBCCWQASO-UHFFFAOYSA-N 0 3 298.415 2.878 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000193677625 382722429 /nfs/dbraw/zinc/72/24/29/382722429.db2.gz FOHHWCFCENFLRE-LSDHHAIUSA-N 0 3 283.799 2.944 20 30 CFEDHN CN1CC[C@@H]2CN(c3cccc(C(F)F)c3C#N)C[C@@H]21 ZINC000575071759 382726124 /nfs/dbraw/zinc/72/61/24/382726124.db2.gz FUXMQHFBOIBKOX-YGRLFVJLSA-N 0 3 277.318 2.636 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(-n2ccnc2)cc1C ZINC000191083362 382690456 /nfs/dbraw/zinc/69/04/56/382690456.db2.gz YKHLOHYMLWTISB-UHFFFAOYSA-N 0 3 285.391 2.815 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(Cc3ccccc3)CC2)C1=O ZINC000337129948 382765064 /nfs/dbraw/zinc/76/50/64/382765064.db2.gz JJOYCPPBLTVPGU-GOSISDBHSA-N 0 3 298.430 2.728 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CC(C)(C)O1 ZINC000337132801 382765362 /nfs/dbraw/zinc/76/53/62/382765362.db2.gz KMKBJJQPRFJKPK-CQSZACIVSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(C)C[C@@H](C)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000337134436 382766069 /nfs/dbraw/zinc/76/60/69/382766069.db2.gz LOSYQLRUKQYMRB-OAHLLOKOSA-N 0 3 286.423 2.757 20 30 CFEDHN C=CCN1CC[C@H](N2CCC3(CCCCC3)CC2)C1=O ZINC000337137279 382766582 /nfs/dbraw/zinc/76/65/82/382766582.db2.gz OBEXSNQVTVFTDN-HNNXBMFYSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](c2cccs2)C2CC2)C1=O ZINC000337172634 382771093 /nfs/dbraw/zinc/77/10/93/382771093.db2.gz FPVPHIIJHAAEIA-JSGCOSHPSA-N 0 3 276.405 2.576 20 30 CFEDHN C=CCN1CC[C@H](N2CCCC3(CCCCC3)C2)C1=O ZINC000337174913 382771520 /nfs/dbraw/zinc/77/15/20/382771520.db2.gz IFVMHULXTFXRAT-HNNXBMFYSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2Cc2ccccc2C)C1=O ZINC000337195156 382774275 /nfs/dbraw/zinc/77/42/75/382774275.db2.gz VSNYIJHSBLAPIY-MSOLQXFVSA-N 0 3 298.430 2.789 20 30 CFEDHN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000337193760 382774365 /nfs/dbraw/zinc/77/43/65/382774365.db2.gz UVDORGGZTALWSM-LSDHHAIUSA-N 0 3 280.412 2.586 20 30 CFEDHN N#CC1(CCCN2CCC[C@@H]3COCC[C@@H]32)CCOCC1 ZINC000337197366 382775235 /nfs/dbraw/zinc/77/52/35/382775235.db2.gz XAJGXPSIZMKILX-CVEARBPZSA-N 0 3 292.423 2.588 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337288036 382794832 /nfs/dbraw/zinc/79/48/32/382794832.db2.gz LIFLBXWQLIACAL-QWRGUYRKSA-N 0 3 272.320 2.870 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCCN1CCCC[C@H]1C ZINC000337256668 382787432 /nfs/dbraw/zinc/78/74/32/382787432.db2.gz SOFXNMAPKODZKN-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2OC(F)F)cc1 ZINC000337291771 382795362 /nfs/dbraw/zinc/79/53/62/382795362.db2.gz MTZHAJDTWZZOFO-QWHCGFSZSA-N 0 3 266.291 2.808 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2C)CC1 ZINC000337005982 382751296 /nfs/dbraw/zinc/75/12/96/382751296.db2.gz AYKZQIUSEGFEFK-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)c1cccc(CN(C)C)c1 ZINC000337087882 382759727 /nfs/dbraw/zinc/75/97/27/382759727.db2.gz GOENFORMVKHEHR-OAHLLOKOSA-N 0 3 260.381 2.833 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3ccccc3)C2)nc1 ZINC000576450036 382822967 /nfs/dbraw/zinc/82/29/67/382822967.db2.gz BNILCBRBWNBAAT-MRXNPFEDSA-N 0 3 263.344 2.943 20 30 CFEDHN COCCC1(CNCc2ccc(C#N)cc2F)CC1 ZINC000227599111 382838052 /nfs/dbraw/zinc/83/80/52/382838052.db2.gz BVHTXDKUKGDWJP-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2nccn2C)C1 ZINC000578263646 382905745 /nfs/dbraw/zinc/90/57/45/382905745.db2.gz OQEMKDQYCKDVIP-BBRMVZONSA-N 0 3 280.375 2.842 20 30 CFEDHN C[C@@H]1CN(CCCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493908075 382906562 /nfs/dbraw/zinc/90/65/62/382906562.db2.gz MHQHMJABAIQJPY-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000338037342 382909564 /nfs/dbraw/zinc/90/95/64/382909564.db2.gz CGHLMJDLSJXPST-MRXNPFEDSA-N 0 3 299.418 2.717 20 30 CFEDHN N#Cc1csc(CN[C@@H](CO)CC2CCCC2)c1 ZINC000337803535 382866653 /nfs/dbraw/zinc/86/66/53/382866653.db2.gz JNMFWGJWBQFIJD-CYBMUJFWSA-N 0 3 264.394 2.651 20 30 CFEDHN CCN1CCC[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC000233497284 382871823 /nfs/dbraw/zinc/87/18/23/382871823.db2.gz NKDVQBDBSGNKQB-QMMMGPOBSA-N 0 3 270.789 2.564 20 30 CFEDHN COc1cc(CNCC2(O)CCCCCC2)ccc1C#N ZINC000234905727 382875306 /nfs/dbraw/zinc/87/53/06/382875306.db2.gz TVNJOBHETHDQOS-UHFFFAOYSA-N 0 3 288.391 2.742 20 30 CFEDHN COc1cc(CN2CCCC[C@H]2C[C@@H](C)O)ccc1C#N ZINC000234969619 382875896 /nfs/dbraw/zinc/87/58/96/382875896.db2.gz XMJDTZKFANMAON-CJNGLKHVSA-N 0 3 288.391 2.692 20 30 CFEDHN C=C[C@H](CC(=O)NCCN1CC[C@@H](C)C1)c1ccccc1 ZINC000533928569 382912667 /nfs/dbraw/zinc/91/26/67/382912667.db2.gz SMIMYNWDTANFRO-HZPDHXFCSA-N 0 3 286.419 2.804 20 30 CFEDHN COc1cc(CNC[C@](C)(O)CCC(C)C)ccc1C#N ZINC000440817880 382885677 /nfs/dbraw/zinc/88/56/77/382885677.db2.gz DZNQLVMRWVHJGB-QGZVFWFLSA-N 0 3 290.407 2.844 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000337981422 382887539 /nfs/dbraw/zinc/88/75/39/382887539.db2.gz PVMDYHROAUXJEF-ZIAGYGMSSA-N 0 3 299.418 2.859 20 30 CFEDHN C=C(CC)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494276970 382911574 /nfs/dbraw/zinc/91/15/74/382911574.db2.gz NAQXQQAJYMJIMR-GDBMZVCRSA-N 0 3 294.345 2.792 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000533419289 382897643 /nfs/dbraw/zinc/89/76/43/382897643.db2.gz BAVWZEGFQKTJJY-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493775734 382902907 /nfs/dbraw/zinc/90/29/07/382902907.db2.gz AOUMLJRKSLMXQD-CHWSQXEVSA-N 0 3 268.401 2.798 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000456010589 382949793 /nfs/dbraw/zinc/94/97/93/382949793.db2.gz UFUCAMHXYRUBMQ-UHFFFAOYSA-N 0 3 298.390 2.639 20 30 CFEDHN COCCOc1cc(C)ccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442770272 382953329 /nfs/dbraw/zinc/95/33/29/382953329.db2.gz RKXNJPISFDDTNS-ZBFHGGJFSA-N 0 3 288.391 2.802 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495051603 382955606 /nfs/dbraw/zinc/95/56/06/382955606.db2.gz OHJRMBJOOOGMJV-AWEZNQCLSA-N 0 3 290.407 2.632 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)[C@H](O)C(F)F)C1 ZINC000442781194 382955749 /nfs/dbraw/zinc/95/57/49/382955749.db2.gz OBSWTKGDJIVVPD-BARDWOONSA-N 0 3 294.345 2.506 20 30 CFEDHN COc1ccc(C2(N[C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000442861711 382961975 /nfs/dbraw/zinc/96/19/75/382961975.db2.gz DXAFLHKQZQWSIH-JSGCOSHPSA-N 0 3 256.349 2.966 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000338121580 382925595 /nfs/dbraw/zinc/92/55/95/382925595.db2.gz XDQBJOTWTHNOLN-KBPBESRZSA-N 0 3 299.418 2.859 20 30 CFEDHN CCC[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578988262 382972588 /nfs/dbraw/zinc/97/25/88/382972588.db2.gz ISYFGPVGISQGNW-ZDUSSCGKSA-N 0 3 283.379 2.613 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000338288154 382977122 /nfs/dbraw/zinc/97/71/22/382977122.db2.gz CKELZJOVHPUEHX-STQMWFEESA-N 0 3 274.364 2.544 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444758953 382979425 /nfs/dbraw/zinc/97/94/25/382979425.db2.gz HNOIVAFHZXHWNL-CABCVRRESA-N 0 3 268.445 2.508 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444725793 382979622 /nfs/dbraw/zinc/97/96/22/382979622.db2.gz NXOGOYSDPZISSU-NEPJUHHUSA-N 0 3 292.345 2.952 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccc(F)c(C)c1 ZINC000444742567 382979883 /nfs/dbraw/zinc/97/98/83/382979883.db2.gz JHTOXUMGNDFUCN-AWEZNQCLSA-N 0 3 251.345 2.893 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NC(C)(C)C)CCCC1(C)C ZINC000444783895 382982125 /nfs/dbraw/zinc/98/21/25/382982125.db2.gz MHMPEMNUSFKUQF-ZDUSSCGKSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCC2(CCCC2)C1 ZINC000445842862 382985843 /nfs/dbraw/zinc/98/58/43/382985843.db2.gz UOYAUHMBWMOXSY-UHFFFAOYSA-N 0 3 276.424 2.843 20 30 CFEDHN CC#CCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495405204 382985801 /nfs/dbraw/zinc/98/58/01/382985801.db2.gz ZXXPETLCGVVWPN-KBPBESRZSA-N 0 3 280.412 2.635 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1C ZINC000338315096 382989422 /nfs/dbraw/zinc/98/94/22/382989422.db2.gz KNSHGDWSEHSPDD-CQSZACIVSA-N 0 3 282.347 2.539 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OC(C)C)c1 ZINC000446703162 382990702 /nfs/dbraw/zinc/99/07/02/382990702.db2.gz WZTYQJHRJMJHKR-GFCCVEGCSA-N 0 3 260.337 2.558 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447717256 383000898 /nfs/dbraw/zinc/00/08/98/383000898.db2.gz DLAZTLRSAMCBHZ-WKEGUHRASA-N 0 3 274.217 2.547 20 30 CFEDHN C[C@H](NCCC(=O)N1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000338363108 383004672 /nfs/dbraw/zinc/00/46/72/383004672.db2.gz RLAPXGZTMIPDIK-KGLIPLIRSA-N 0 3 285.391 2.610 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245622178 383015666 /nfs/dbraw/zinc/01/56/66/383015666.db2.gz WZAQHMWAMGKMBE-SJLPKXTDSA-N 0 3 284.403 2.742 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000338746821 383037276 /nfs/dbraw/zinc/03/72/76/383037276.db2.gz RYZBIKVTPYHSJY-SFHVURJKSA-N 0 3 297.402 2.683 20 30 CFEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)s1 ZINC000245873994 383042046 /nfs/dbraw/zinc/04/20/46/383042046.db2.gz LVSLBGWYIVKMPJ-DRZCJDIDSA-N 0 3 284.384 2.929 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC000245866276 383042178 /nfs/dbraw/zinc/04/21/78/383042178.db2.gz GDLJECUIPXEQJC-GOEBONIOSA-N 0 3 286.375 2.568 20 30 CFEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C(C)C#N ZINC000448452047 383060765 /nfs/dbraw/zinc/06/07/65/383060765.db2.gz JIOMLVVHRSOTPN-IJEWVQPXSA-N 0 3 286.375 2.961 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000448540756 383063678 /nfs/dbraw/zinc/06/36/78/383063678.db2.gz BWPLKYFKISKERL-ZDUSSCGKSA-N 0 3 290.326 2.767 20 30 CFEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246369303 383074217 /nfs/dbraw/zinc/07/42/17/383074217.db2.gz YHLWUUNVVBRUQD-RHSMWYFYSA-N 0 3 291.439 2.695 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cccc(CC#N)c1 ZINC000580111955 383077353 /nfs/dbraw/zinc/07/73/53/383077353.db2.gz RSCQGMNKWWBNJN-KRWDZBQOSA-N 0 3 299.418 2.699 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ncc(C(C)(C)C)s1 ZINC000447897656 383025762 /nfs/dbraw/zinc/02/57/62/383025762.db2.gz OFYWFCCHTFODJJ-LLVKDONJSA-N 0 3 268.426 2.715 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2C)CCCCC1 ZINC000448977835 383121129 /nfs/dbraw/zinc/12/11/29/383121129.db2.gz UZUKLZLSMPLNKD-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CCCC#N)C1 ZINC000496647532 383122313 /nfs/dbraw/zinc/12/23/13/383122313.db2.gz RFRCYWNVPCKXAV-AWEZNQCLSA-N 0 3 295.427 2.917 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCCC2 ZINC000554069172 383123926 /nfs/dbraw/zinc/12/39/26/383123926.db2.gz MACLRXVENCNOIN-CVEARBPZSA-N 0 3 285.391 2.781 20 30 CFEDHN N#CCCN1CCN(CCC2CCCCCC2)CC1 ZINC000593968897 383124238 /nfs/dbraw/zinc/12/42/38/383124238.db2.gz MRYFCLIBYSNOFO-UHFFFAOYSA-N 0 3 263.429 2.878 20 30 CFEDHN CC(C)[C@H](C(=O)NCC(C)(C)CC#N)N1CCCCC1 ZINC000457990613 383126251 /nfs/dbraw/zinc/12/62/51/383126251.db2.gz PUXVQYNWAWFSFG-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN CN(CCC(C)(C)C#N)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000497005557 383128339 /nfs/dbraw/zinc/12/83/39/383128339.db2.gz TVTCXDNZQFXKHP-UHFFFAOYSA-N 0 3 295.427 2.914 20 30 CFEDHN CC(C)COC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338920741 383086502 /nfs/dbraw/zinc/08/65/02/383086502.db2.gz MHVZMALUHSDVMC-UONOGXRCSA-N 0 3 250.386 2.816 20 30 CFEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC000582418926 383087978 /nfs/dbraw/zinc/08/79/78/383087978.db2.gz YOBHNUNQFCGJOS-UHFFFAOYSA-N 0 3 273.380 2.664 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CNCCC#N)C1 ZINC000496337582 383089441 /nfs/dbraw/zinc/08/94/41/383089441.db2.gz DBIDTXYRIHHVCY-QWHCGFSZSA-N 0 3 281.400 2.573 20 30 CFEDHN Cc1cc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc(C#N)n1 ZINC000553146248 383099232 /nfs/dbraw/zinc/09/92/32/383099232.db2.gz GTXRLDNOJOAUCJ-ZWKOTPCHSA-N 0 3 292.386 2.541 20 30 CFEDHN C=C(Cl)CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496426267 383099776 /nfs/dbraw/zinc/09/97/76/383099776.db2.gz XDHZGMZUDBTJGH-UHFFFAOYSA-N 0 3 286.803 2.728 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000448920182 383107379 /nfs/dbraw/zinc/10/73/79/383107379.db2.gz GEXZWSMDTCWDIW-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000339162568 383172268 /nfs/dbraw/zinc/17/22/68/383172268.db2.gz ACEMVQZHCWFGLP-NXHRZFHOSA-N 0 3 284.403 2.705 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@](C)(CCC)C1 ZINC000247529799 383182013 /nfs/dbraw/zinc/18/20/13/383182013.db2.gz OCOUWHYWLMXMOP-UKRRQHHQSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2n[nH]cc2c1 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ZINC000248617956 383272486 /nfs/dbraw/zinc/27/24/86/383272486.db2.gz JPRLGLQRYRMQMM-RRFJBIMHSA-N 0 3 264.413 2.531 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248638697 383275909 /nfs/dbraw/zinc/27/59/09/383275909.db2.gz WFWRUDLQMMLMBM-WMZOPIPTSA-N 0 3 284.403 2.742 20 30 CFEDHN CC[C@@H](NCc1ccccc1C#N)C1CCOCC1 ZINC000339508236 383223141 /nfs/dbraw/zinc/22/31/41/383223141.db2.gz SNCJUXZHUSCTJX-MRXNPFEDSA-N 0 3 258.365 2.853 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)NCc1ccc(C#N)cc1F ZINC000566927017 383226333 /nfs/dbraw/zinc/22/63/33/383226333.db2.gz SIMCBYQFJMVPJQ-AWEZNQCLSA-N 0 3 289.398 2.907 20 30 CFEDHN C[C@@H](C(=O)N1CCC(CCC#N)CC1)[C@H](N)c1ccccc1 ZINC000519604158 383229682 /nfs/dbraw/zinc/22/96/82/383229682.db2.gz MWUUKCSMMQSMID-PBHICJAKSA-N 0 3 299.418 2.865 20 30 CFEDHN CC(C#N)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000519789149 383235168 /nfs/dbraw/zinc/23/51/68/383235168.db2.gz IHMADGZYGMCDHP-IVZWLZJFSA-N 0 3 262.275 2.631 20 30 CFEDHN C=CCCC(C)(C)CN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000634576671 383243132 /nfs/dbraw/zinc/24/31/32/383243132.db2.gz XNLFWJXGSATMSC-AWEZNQCLSA-N 0 3 278.371 2.934 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000249402950 383343641 /nfs/dbraw/zinc/34/36/41/383343641.db2.gz VOKQYRYNNQYMMJ-XJKSGUPXSA-N 0 3 281.363 2.548 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339709118 383294063 /nfs/dbraw/zinc/29/40/63/383294063.db2.gz BGNMVAGSSXAQJJ-RBSFLKMASA-N 0 3 291.439 2.505 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2COc3ccccc3C2)C1 ZINC000248846679 383297871 /nfs/dbraw/zinc/29/78/71/383297871.db2.gz OHBVXQZFOGQOPS-YUELXQCFSA-N 0 3 256.349 2.662 20 30 CFEDHN CO[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[C@H]1C ZINC000248883782 383302956 /nfs/dbraw/zinc/30/29/56/383302956.db2.gz DODVARXCKXFYSR-DVOMOZLQSA-N 0 3 258.365 2.976 20 30 CFEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000248900449 383305310 /nfs/dbraw/zinc/30/53/10/383305310.db2.gz 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/nfs/dbraw/zinc/34/99/96/383349996.db2.gz VLFJIQFWOUSJPC-NTZNESFSSA-N 0 3 291.420 2.973 20 30 CFEDHN N#Cc1ccc(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449515163 383350932 /nfs/dbraw/zinc/35/09/32/383350932.db2.gz ZOASOSXPLNXCQW-RDJZCZTQSA-N 0 3 288.366 2.584 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C/c1ccc(F)cc1F ZINC000449518749 383351584 /nfs/dbraw/zinc/35/15/84/383351584.db2.gz KUUBZWOXUHHCHW-RYIMYRPNSA-N 0 3 265.303 2.911 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)cc2c1OCC2 ZINC000449518753 383351614 /nfs/dbraw/zinc/35/16/14/383351614.db2.gz KVISSODOAZTTJV-KGLIPLIRSA-N 0 3 279.767 2.708 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc([C@@H]2CCCO2)s1 ZINC000449548936 383355272 /nfs/dbraw/zinc/35/52/72/383355272.db2.gz SHZZDWMBVCLEHS-RDBSUJKOSA-N 0 3 294.420 2.818 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)cc1OC ZINC000449548736 383355479 /nfs/dbraw/zinc/35/54/79/383355479.db2.gz QDLFZFRBWJNVFH-CABCVRRESA-N 0 3 277.364 2.527 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1sc(C)nc1C ZINC000449549020 383355512 /nfs/dbraw/zinc/35/55/12/383355512.db2.gz SZKZBSSHIAIVQB-NEPJUHHUSA-N 0 3 252.383 2.583 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449690750 383360645 /nfs/dbraw/zinc/36/06/45/383360645.db2.gz RKFIIBBABHAHNV-OLZOCXBDSA-N 0 3 284.338 2.793 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccncc2)s1 ZINC000449696301 383360670 /nfs/dbraw/zinc/36/06/70/383360670.db2.gz HNNOTRKFHFEDBK-CYBMUJFWSA-N 0 3 289.404 2.622 20 30 CFEDHN C=C(CC)CNCc1cn(C)nc1-c1cccnc1 ZINC000449731897 383363070 /nfs/dbraw/zinc/36/30/70/383363070.db2.gz KCCIYJRUFSHAHK-UHFFFAOYSA-N 0 3 256.353 2.538 20 30 CFEDHN C=CCN(Cc1cc2ccccc2n(C)c1=O)C1CC1 ZINC000568166087 383363852 /nfs/dbraw/zinc/36/38/52/383363852.db2.gz CKYWIWXGWSCRIM-UHFFFAOYSA-N 0 3 268.360 2.689 20 30 CFEDHN C=CCC1(C(=O)N(C)CCN2CCCC2)CCCC1 ZINC000449837160 383367264 /nfs/dbraw/zinc/36/72/64/383367264.db2.gz ACPFPIUWVFAQNF-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(CC=C)CCCC2)CC1 ZINC000449846666 383367692 /nfs/dbraw/zinc/36/76/92/383367692.db2.gz ZWZKCGWXMQOKJL-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000449941109 383372453 /nfs/dbraw/zinc/37/24/53/383372453.db2.gz OSIKCTZRJBYPCC-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC1(C(=O)NC[C@]2(N(C)C)CCSC2)CCCC1 ZINC000450039352 383378060 /nfs/dbraw/zinc/37/80/60/383378060.db2.gz FKHZIDDYSMFHTQ-MRXNPFEDSA-N 0 3 296.480 2.676 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CCC1 ZINC000250692896 383379566 /nfs/dbraw/zinc/37/95/66/383379566.db2.gz OUMUJXBKMITMNE-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(C(C)(C)COC)CC1 ZINC000425506314 383382270 /nfs/dbraw/zinc/38/22/70/383382270.db2.gz OXYAXJOARPCFFS-HNNXBMFYSA-N 0 3 268.445 2.774 20 30 CFEDHN C[C@H](O)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000526942468 383438805 /nfs/dbraw/zinc/43/88/05/383438805.db2.gz WSZOKUQMYYPNCY-HEHGZKQESA-N 0 3 258.365 2.712 20 30 CFEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000340490667 383441183 /nfs/dbraw/zinc/44/11/83/383441183.db2.gz OOLKUGURVXCWFX-MEBBXXQBSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCC1(F)F ZINC000289896802 197521725 /nfs/dbraw/zinc/52/17/25/197521725.db2.gz SHEHSCYGHWEIAJ-SMDDNHRTSA-N 0 3 280.318 2.569 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cccc(F)c2C#N)C[C@@H]1C ZINC000428292850 383442943 /nfs/dbraw/zinc/44/29/43/383442943.db2.gz DFLSGIGODIIDFW-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN CC[C@]1(C(C)C)C[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000568885205 383448118 /nfs/dbraw/zinc/44/81/18/383448118.db2.gz WIUHKXVGQZKTPB-GDBMZVCRSA-N 0 3 283.379 2.515 20 30 CFEDHN CC(C)C[C@@]1(CO)CCCN1CC#Cc1ccccc1 ZINC000483979649 383454424 /nfs/dbraw/zinc/45/44/24/383454424.db2.gz LLHCEISVNOFGBB-GOSISDBHSA-N 0 3 271.404 2.911 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@H](CC)N(CC)CC ZINC000428036914 383420204 /nfs/dbraw/zinc/42/02/04/383420204.db2.gz RYYUOYURKSHRQO-KGLIPLIRSA-N 0 3 252.402 2.674 20 30 CFEDHN CC(C#N)C(=O)NCCCCCc1ccc(F)cc1 ZINC000428632922 383497728 /nfs/dbraw/zinc/49/77/28/383497728.db2.gz YWRGCRXFZFVBGF-LBPRGKRZSA-N 0 3 262.328 2.814 20 30 CFEDHN C=C(C)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000428636501 383497965 /nfs/dbraw/zinc/49/79/65/383497965.db2.gz ADAZSCJAKATRBL-ZBFHGGJFSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000428633187 383498036 /nfs/dbraw/zinc/49/80/36/383498036.db2.gz VEQAHAYGCXHMBB-GOEBONIOSA-N 0 3 293.455 2.857 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488160609 383501548 /nfs/dbraw/zinc/50/15/48/383501548.db2.gz IPTCGNHGVZFUAN-LSDHHAIUSA-N 0 3 271.408 2.781 20 30 CFEDHN CCN(C[C@H](C)OC)C(=O)C(C#N)CCc1ccccc1 ZINC000428922575 383502544 /nfs/dbraw/zinc/50/25/44/383502544.db2.gz MHFCQBBIYUUUFK-HOCLYGCPSA-N 0 3 288.391 2.642 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CSC)C1 ZINC000429278540 383508005 /nfs/dbraw/zinc/50/80/05/383508005.db2.gz YGYPPODLHFGOLQ-CABCVRRESA-N 0 3 296.480 2.651 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC(C)=C(C)C)CC1 ZINC000635531521 383578676 /nfs/dbraw/zinc/57/86/76/383578676.db2.gz RZSIGTPYVGMVHJ-UHFFFAOYSA-N 0 3 264.413 2.890 20 30 CFEDHN CCOc1ccc(CNCC2(CC#N)CC2)cc1OC ZINC000430080473 383588195 /nfs/dbraw/zinc/58/81/95/383588195.db2.gz XTFLIAGQSRLBOL-UHFFFAOYSA-N 0 3 274.364 2.877 20 30 CFEDHN Cc1cc(CN[C@H]2CCO[C@H]2C2CC2)ccc1C#N ZINC000488996466 383589787 /nfs/dbraw/zinc/58/97/87/383589787.db2.gz MOLWNZJEVHIRMT-HOTGVXAUSA-N 0 3 256.349 2.524 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](O)C[C@@H]2C)c1 ZINC000430136628 383590131 /nfs/dbraw/zinc/59/01/31/383590131.db2.gz WODODZLPZXPTCY-ZFWWWQNUSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@](C)(N)CCC)c1 ZINC000262108751 383605767 /nfs/dbraw/zinc/60/57/67/383605767.db2.gz GGHCMJLSCVVUSN-HNNXBMFYSA-N 0 3 262.353 2.707 20 30 CFEDHN CC#CCN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000429706217 383561159 /nfs/dbraw/zinc/56/11/59/383561159.db2.gz CISXDZMRQYFDSF-UHFFFAOYSA-N 0 3 261.340 2.830 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1csc(CC)n1 ZINC000429709900 383562387 /nfs/dbraw/zinc/56/23/87/383562387.db2.gz SSDKBRVDROPKAP-UHFFFAOYSA-N 0 3 267.442 2.645 20 30 CFEDHN CC1(C)CCCN1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000450950965 383565241 /nfs/dbraw/zinc/56/52/41/383565241.db2.gz OKRVJXAMEFOSGH-UHFFFAOYSA-N 0 3 288.351 2.753 20 30 CFEDHN Cc1ccnc(NCCN2CCCC2(C)C)c1C#N ZINC000450952415 383565688 /nfs/dbraw/zinc/56/56/88/383565688.db2.gz SVMWHNIWFQKKMB-UHFFFAOYSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)[C@@H](C)c2ccccc2)C1=O ZINC000280904013 195022326 /nfs/dbraw/zinc/02/23/26/195022326.db2.gz BSPGZZOMYGXTEL-YCPHGPKFSA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)[C@H](C)c2ccccc2)C1=O ZINC000280902595 195022340 /nfs/dbraw/zinc/02/23/40/195022340.db2.gz BSPGZZOMYGXTEL-DZKIICNBSA-N 0 3 272.392 2.555 20 30 CFEDHN N#CCC1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000570594502 383617309 /nfs/dbraw/zinc/61/73/09/383617309.db2.gz DGDGQIURKMCAKH-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1F ZINC000570596585 383617908 /nfs/dbraw/zinc/61/79/08/383617908.db2.gz HBJADYODWVFDLG-KFWWJZLASA-N 0 3 274.339 2.766 20 30 CFEDHN N#Cc1cccc(NC(=O)CN[C@H]2CCC23CCCC3)c1 ZINC000451451991 383618556 /nfs/dbraw/zinc/61/85/56/383618556.db2.gz CBWUGRNUTWBBJQ-HNNXBMFYSA-N 0 3 283.375 2.809 20 30 CFEDHN Cn1cc(CNCC(C)(C)C(F)(F)F)cc1C#N ZINC000570647313 383622925 /nfs/dbraw/zinc/62/29/25/383622925.db2.gz QPCAYIYIGLXZPK-UHFFFAOYSA-N 0 3 259.275 2.575 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@@H]2CCCO[C@@H]21 ZINC000451474738 383623873 /nfs/dbraw/zinc/62/38/73/383623873.db2.gz BEAFZJHEMQSGJK-MAZHCROVSA-N 0 3 288.366 2.991 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451506508 383632083 /nfs/dbraw/zinc/63/20/83/383632083.db2.gz VVDSJFJNCUSEFJ-XZJROXQQSA-N 0 3 288.391 2.716 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2=CCCCC2)cc1 ZINC000452295118 383751464 /nfs/dbraw/zinc/75/14/64/383751464.db2.gz YZDWWFIWBMJMQS-KRWDZBQOSA-N 0 3 293.370 2.857 20 30 CFEDHN CCCOc1ccc2c(c1)CCN(C(=O)C(C)C#N)C2 ZINC000435708876 383778969 /nfs/dbraw/zinc/77/89/69/383778969.db2.gz LTJWMFPKWVDPSP-GFCCVEGCSA-N 0 3 272.348 2.520 20 30 CFEDHN C[C@H]1COCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000433145281 383755294 /nfs/dbraw/zinc/75/52/94/383755294.db2.gz GSHPTCFKQABXEH-WFASDCNBSA-N 0 3 263.768 2.706 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529907857 383762819 /nfs/dbraw/zinc/76/28/19/383762819.db2.gz ZWCQANTVXLPYDZ-GUYCJALGSA-N 0 3 284.359 2.532 20 30 CFEDHN CCOC(=O)CC1(NCC#Cc2ccccc2)CCCC1 ZINC000434616685 383769695 /nfs/dbraw/zinc/76/96/95/383769695.db2.gz IWIULTIVXOOXSF-UHFFFAOYSA-N 0 3 285.387 2.894 20 30 CFEDHN CN(C)CCN(Cc1ccccn1)Cc1ccccc1C#N ZINC000572683307 383806671 /nfs/dbraw/zinc/80/66/71/383806671.db2.gz PMETUUBFVCFPQD-UHFFFAOYSA-N 0 3 294.402 2.517 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000280968803 195050257 /nfs/dbraw/zinc/05/02/57/195050257.db2.gz ZWBGZCDYPZPFMQ-HUBLWGQQSA-N 0 3 293.363 2.698 20 30 CFEDHN C=CCN[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017790 383821157 /nfs/dbraw/zinc/82/11/57/383821157.db2.gz HXNMDEVJRAFENV-LBPRGKRZSA-N 0 3 275.270 2.784 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC[C@H](C#N)CCC#N ZINC000572834390 383823321 /nfs/dbraw/zinc/82/33/21/383823321.db2.gz HJCBTGWBWMUPGO-JKSUJKDBSA-N 0 3 276.428 2.674 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC[C@@H](C#N)CCC#N ZINC000572834389 383824161 /nfs/dbraw/zinc/82/41/61/383824161.db2.gz HJCBTGWBWMUPGO-HZPDHXFCSA-N 0 3 276.428 2.674 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@H](C)C2)CC1 ZINC000435969942 383782404 /nfs/dbraw/zinc/78/24/04/383782404.db2.gz UXPNYCLWSUNRIT-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCN(C)C2)CCCCC1 ZINC000572947811 383844537 /nfs/dbraw/zinc/84/45/37/383844537.db2.gz KTVROEOKGCVLTH-OAHLLOKOSA-N 0 3 278.440 2.971 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000453356620 383847643 /nfs/dbraw/zinc/84/76/43/383847643.db2.gz LZDRWWVHFSYZMF-VQISRLSMSA-N 0 3 260.312 2.691 20 30 CFEDHN CC#CCN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646080112 383853477 /nfs/dbraw/zinc/85/34/77/383853477.db2.gz GWJBNXBINOCBCJ-MRXNPFEDSA-N 0 3 255.361 2.669 20 30 CFEDHN C=C(C)CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640563281 383830288 /nfs/dbraw/zinc/83/02/88/383830288.db2.gz UTJQCDHUSJZXMN-QWHCGFSZSA-N 0 3 273.298 2.687 20 30 CFEDHN C=C(C)CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640563282 383830681 /nfs/dbraw/zinc/83/06/81/383830681.db2.gz UTJQCDHUSJZXMN-STQMWFEESA-N 0 3 273.298 2.687 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(Cl)cc1F ZINC000437760779 383909583 /nfs/dbraw/zinc/90/95/83/383909583.db2.gz FLPUMORHHHZGNC-JTQLQIEISA-N 0 3 257.736 2.753 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)cc2)cc1C ZINC000453637644 383898305 /nfs/dbraw/zinc/89/83/05/383898305.db2.gz VDRJMXJRJCIUHZ-IBGZPJMESA-N 0 3 294.398 2.868 20 30 CFEDHN COCC1(NCc2cccc(OCCCC#N)c2)CC1 ZINC000532212844 383993709 /nfs/dbraw/zinc/99/37/09/383993709.db2.gz YHLSFPWUGUAVJU-UHFFFAOYSA-N 0 3 274.364 2.638 20 30 CFEDHN C[C@H](NCc1cccn1C)c1ccc(OCC#N)cc1 ZINC000265643823 383966331 /nfs/dbraw/zinc/96/63/31/383966331.db2.gz JQQFVUYECZNSKY-ZDUSSCGKSA-N 0 3 269.348 2.778 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000637323755 384030158 /nfs/dbraw/zinc/03/01/58/384030158.db2.gz KPGRJPORDCUYHC-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN COc1cc(CN[C@@H]2CC[C@@H]2SC)ccc1C#N ZINC000440624494 384115953 /nfs/dbraw/zinc/11/59/53/384115953.db2.gz YVCHUPXTDFUWBO-OCCSQVGLSA-N 0 3 262.378 2.550 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000637621166 384137347 /nfs/dbraw/zinc/13/73/47/384137347.db2.gz KLWINPSEWPSWSH-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000574888111 384159989 /nfs/dbraw/zinc/15/99/89/384159989.db2.gz NEJPUAXBCNIWAX-GJZGRUSLSA-N 0 3 281.444 2.714 20 30 CFEDHN C#CCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000277344612 384272427 /nfs/dbraw/zinc/27/24/27/384272427.db2.gz ZMCLSZPLJOWMRZ-FUHWJXTLSA-N 0 3 296.414 2.933 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCCN2C2CC2)s1 ZINC000277443690 384302955 /nfs/dbraw/zinc/30/29/55/384302955.db2.gz FHSLWLKSXDKYBG-CYBMUJFWSA-N 0 3 275.421 2.726 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCCN2C2CC2)s1 ZINC000277443691 384303318 /nfs/dbraw/zinc/30/33/18/384303318.db2.gz FHSLWLKSXDKYBG-ZDUSSCGKSA-N 0 3 275.421 2.726 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc(SCC)c1 ZINC000641768019 384335224 /nfs/dbraw/zinc/33/52/24/384335224.db2.gz ULSPXLOBJNCPOQ-CQSZACIVSA-N 0 3 263.406 2.663 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1 ZINC000641768615 384335284 /nfs/dbraw/zinc/33/52/84/384335284.db2.gz DGKAJWSHMWWMJE-ZDUSSCGKSA-N 0 3 272.175 2.857 20 30 CFEDHN CC#CC[C@@H](CO)NCc1csc2ccccc12 ZINC000641769388 384336460 /nfs/dbraw/zinc/33/64/60/384336460.db2.gz UTJNTCFDUAKWDV-ZDUSSCGKSA-N 0 3 259.374 2.765 20 30 CFEDHN CCN1CCCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000267253001 384337254 /nfs/dbraw/zinc/33/72/54/384337254.db2.gz UXHRHGQFDHBPMA-UHFFFAOYSA-N 0 3 280.375 2.638 20 30 CFEDHN C#CCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000277514310 384323692 /nfs/dbraw/zinc/32/36/92/384323692.db2.gz QUALFOMTDISFEV-WMLDXEAASA-N 0 3 272.392 2.598 20 30 CFEDHN C=CCC[C@@H](CO)NCc1conc1Cc1ccccc1 ZINC000641760596 384326669 /nfs/dbraw/zinc/32/66/69/384326669.db2.gz VANBEUTZJDWOHY-INIZCTEOSA-N 0 3 286.375 2.682 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccccc1OCC1CC1 ZINC000641760283 384326817 /nfs/dbraw/zinc/32/68/17/384326817.db2.gz OKIMEADSSOCDLQ-MRXNPFEDSA-N 0 3 275.392 2.892 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(Cl)c2cccnc12 ZINC000641767446 384333578 /nfs/dbraw/zinc/33/35/78/384333578.db2.gz LBQZOOCNSOTEEQ-ZDUSSCGKSA-N 0 3 288.778 2.752 20 30 CFEDHN C[C@@H]1COCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000277547082 384333621 /nfs/dbraw/zinc/33/36/21/384333621.db2.gz SMRSRKJMISIHAW-DOMZBBRYSA-N 0 3 263.768 2.706 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000641768329 384334653 /nfs/dbraw/zinc/33/46/53/384334653.db2.gz ZLZJOLYUROFECJ-OAHLLOKOSA-N 0 3 271.360 2.914 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1cc(C#N)ccc1F ZINC000277784742 384405033 /nfs/dbraw/zinc/40/50/33/384405033.db2.gz OAWDQKKUZACQOO-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277923549 384441298 /nfs/dbraw/zinc/44/12/98/384441298.db2.gz NFOUAGSPWDPWBZ-MRXNPFEDSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000643253763 384528762 /nfs/dbraw/zinc/52/87/62/384528762.db2.gz DXOLHTRJGXTJBH-QWRGUYRKSA-N 0 3 251.292 2.588 20 30 CFEDHN C#C[C@@H](N[C@H](C)CC(=O)Nc1ccc(OC)cc1)C(C)C ZINC000289352304 197308135 /nfs/dbraw/zinc/30/81/35/197308135.db2.gz JIEJEMREGDFLCI-CZUORRHYSA-N 0 3 288.391 2.660 20 30 CFEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1ccc(OC)cc1)C(C)C ZINC000289352302 197308086 /nfs/dbraw/zinc/30/80/86/197308086.db2.gz JIEJEMREGDFLCI-CJNGLKHVSA-N 0 3 288.391 2.660 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC)c(C)c1 ZINC000268540967 384631687 /nfs/dbraw/zinc/63/16/87/384631687.db2.gz LAJZRALAXAFXLC-OAHLLOKOSA-N 0 3 263.381 2.763 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OCCCC ZINC000680972512 542392749 /nfs/dbraw/zinc/39/27/49/542392749.db2.gz GPYBOTLNCHCIRO-HNNXBMFYSA-N 0 3 263.381 2.892 20 30 CFEDHN C#CCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000268689546 384648463 /nfs/dbraw/zinc/64/84/63/384648463.db2.gz GVZCNISMTUBAEU-INIZCTEOSA-N 0 3 261.340 2.830 20 30 CFEDHN C[C@@H](c1cccc(O)c1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268716983 384650342 /nfs/dbraw/zinc/65/03/42/384650342.db2.gz YWQVXIJMUNIMIM-UGSOOPFHSA-N 0 3 296.370 2.990 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)Cn2ccnc2)cc1 ZINC000268786846 384662158 /nfs/dbraw/zinc/66/21/58/384662158.db2.gz BTDPFJANJUSTRH-HUUCEWRRSA-N 0 3 283.375 2.634 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCCNc2ccccn2)cc1 ZINC000268974749 384706699 /nfs/dbraw/zinc/70/66/99/384706699.db2.gz JAKCFEGXKGIDJF-HNNXBMFYSA-N 0 3 295.386 2.856 20 30 CFEDHN CC(C)(C)C[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000269511896 384773372 /nfs/dbraw/zinc/77/33/72/384773372.db2.gz OYCSSDAINYXNDR-ZDUSSCGKSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N1CCC(C)CC1 ZINC000269403247 384756248 /nfs/dbraw/zinc/75/62/48/384756248.db2.gz GZZTYFDMQNCKFJ-AWEZNQCLSA-N 0 3 289.398 2.907 20 30 CFEDHN C[C@@H]1CCCCN1CCNCc1ccc(C#N)cc1F ZINC000269429590 384758015 /nfs/dbraw/zinc/75/80/15/384758015.db2.gz PBGVRGIAOWRVSP-CYBMUJFWSA-N 0 3 275.371 2.661 20 30 CFEDHN C=CCC[C@H](NCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000269742718 384859433 /nfs/dbraw/zinc/85/94/33/384859433.db2.gz WGYOWMIAROUMSU-INIZCTEOSA-N 0 3 293.432 2.795 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@](C)(O)CC1 ZINC000280166088 384911708 /nfs/dbraw/zinc/91/17/08/384911708.db2.gz SGVZIVBLBGYGTP-XJKSGUPXSA-N 0 3 258.365 2.856 20 30 CFEDHN CN(C)[C@H](CNc1cnccc1C#N)c1cccc(F)c1 ZINC000269964651 384923361 /nfs/dbraw/zinc/92/33/61/384923361.db2.gz MWWPEIZIWWUMSC-MRXNPFEDSA-N 0 3 284.338 2.807 20 30 CFEDHN C=CCCC[C@@H](C)NCc1cc2c(cn1)OCCO2 ZINC000638836778 384968958 /nfs/dbraw/zinc/96/89/58/384968958.db2.gz KHXYUYWREKWGHA-GFCCVEGCSA-N 0 3 262.353 2.687 20 30 CFEDHN C=CCOCCN(CCOC)Cc1ccc(C)cc1C ZINC000645080881 385178910 /nfs/dbraw/zinc/17/89/10/385178910.db2.gz ORUDKVRVBCDGLT-UHFFFAOYSA-N 0 3 277.408 2.954 20 30 CFEDHN C=CCOCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000645083114 385179919 /nfs/dbraw/zinc/17/99/19/385179919.db2.gz CAZDCZCHQJDAPH-MRXNPFEDSA-N 0 3 261.365 2.653 20 30 CFEDHN C=CCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280930895 385180697 /nfs/dbraw/zinc/18/06/97/385180697.db2.gz VCZCYLHVRLHWJD-DZGCQCFKSA-N 0 3 281.421 2.635 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@H]1Cc2ccccc2[C@H]1O ZINC000270769587 385219685 /nfs/dbraw/zinc/21/96/85/385219685.db2.gz HJAVAAPLVSCEHS-ZWKOTPCHSA-N 0 3 278.355 2.648 20 30 CFEDHN C#C[C@@H](NCc1ccc(COCCOC)cc1)C(C)C ZINC000289118405 197239066 /nfs/dbraw/zinc/23/90/66/197239066.db2.gz DJQNMMZIBURSJG-QGZVFWFLSA-N 0 3 275.392 2.597 20 30 CFEDHN C#CCCCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000271004197 385299274 /nfs/dbraw/zinc/29/92/74/385299274.db2.gz GTYASRAPQOUHGX-UHFFFAOYSA-N 0 3 261.369 2.786 20 30 CFEDHN C#CCN(CC)Cc1cccc(OCCCOC)c1 ZINC000271156826 385354195 /nfs/dbraw/zinc/35/41/95/385354195.db2.gz WKFJXWMJJNCGLH-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN COC(=O)c1ccc2c(c1)CN(CCCCC#N)CC2 ZINC000271317837 385379861 /nfs/dbraw/zinc/37/98/61/385379861.db2.gz JEKHKBDNUATRNJ-UHFFFAOYSA-N 0 3 272.348 2.525 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271913210 385399381 /nfs/dbraw/zinc/39/93/81/385399381.db2.gz BPDDYKWHOKZTFZ-VXGBXAGGSA-N 0 3 272.327 2.633 20 30 CFEDHN C#CCN(Cc1ccc(C)cc1-c1cnn(C)c1)C1CC1 ZINC000282865846 385402856 /nfs/dbraw/zinc/40/28/56/385402856.db2.gz VFOGKJZLEHQVDR-UHFFFAOYSA-N 0 3 279.387 2.993 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000639311699 385438790 /nfs/dbraw/zinc/43/87/90/385438790.db2.gz VPRRPKZELKQAJK-ZDUSSCGKSA-N 0 3 274.364 2.641 20 30 CFEDHN COc1ccc(CN[C@H](C)[C@@H]2CCCCO2)cc1C#N ZINC000272047400 385434374 /nfs/dbraw/zinc/43/43/74/385434374.db2.gz XHEVWFBFKAEEBF-DOMZBBRYSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2ccc(Cl)s2)CC1 ZINC000283528841 385473178 /nfs/dbraw/zinc/47/31/78/385473178.db2.gz HMQDNIOYCTYTEH-UHFFFAOYSA-N 0 3 298.839 2.711 20 30 CFEDHN C=CCCC(C)(C)NCc1cc2c(cn1)OCCO2 ZINC000639334683 385460470 /nfs/dbraw/zinc/46/04/70/385460470.db2.gz IMXZZAZCEGESSS-UHFFFAOYSA-N 0 3 262.353 2.687 20 30 CFEDHN C#Cc1cccc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)c1 ZINC000272356401 385517966 /nfs/dbraw/zinc/51/79/66/385517966.db2.gz PIYOJZPTIFAOKH-CQSZACIVSA-N 0 3 299.418 2.862 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000285947211 385558441 /nfs/dbraw/zinc/55/84/41/385558441.db2.gz CBVQPSMMWBXGGX-QILLFSRXSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000272616231 385576809 /nfs/dbraw/zinc/57/68/09/385576809.db2.gz XJZBKBJXIKFOPA-GFCCVEGCSA-N 0 3 264.325 2.756 20 30 CFEDHN C=CCC[C@@H](NCCCN1CCOC1=O)c1ccco1 ZINC000286126544 385562060 /nfs/dbraw/zinc/56/20/60/385562060.db2.gz OHQJNQRUSVYGML-CYBMUJFWSA-N 0 3 278.352 2.719 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCSCC[C@@H]1C ZINC000286137270 385563225 /nfs/dbraw/zinc/56/32/25/385563225.db2.gz MZCXLMTWNLCNAI-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1c(F)cc(C#N)cc1F ZINC000286184674 385568686 /nfs/dbraw/zinc/56/86/86/385568686.db2.gz ASLURCBWNWNHRB-YPMHNXCESA-N 0 3 291.345 2.899 20 30 CFEDHN C=CCOCCN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000272599731 385573205 /nfs/dbraw/zinc/57/32/05/385573205.db2.gz UDPSZMJUQFXPKM-GFCCVEGCSA-N 0 3 295.379 2.566 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272658225 385583610 /nfs/dbraw/zinc/58/36/10/385583610.db2.gz GWWDFFZLCOBHHN-CYBMUJFWSA-N 0 3 298.390 2.639 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCc2cccc(C)c2)C1=O ZINC000281195357 195144178 /nfs/dbraw/zinc/14/41/78/195144178.db2.gz CAGAUCVENJLBQQ-QGZVFWFLSA-N 0 3 286.419 2.646 20 30 CFEDHN C=C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000286297848 385584859 /nfs/dbraw/zinc/58/48/59/385584859.db2.gz GJNYUWQCCMOLMT-UHFFFAOYSA-N 0 3 299.462 2.851 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2ccc(C#N)cc2)C1 ZINC000288775843 197163615 /nfs/dbraw/zinc/16/36/15/197163615.db2.gz JZWISVJKNLVFED-MRXNPFEDSA-N 0 3 258.365 2.543 20 30 CFEDHN C=CCS(=O)(=O)CCNC[C@H](CCC)c1ccccc1 ZINC000272816185 385623112 /nfs/dbraw/zinc/62/31/12/385623112.db2.gz IAKCHRMNOJZTHP-INIZCTEOSA-N 0 3 295.448 2.761 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCO[C@H]1C ZINC000639642517 385630180 /nfs/dbraw/zinc/63/01/80/385630180.db2.gz TVGLGAZLUCYSKD-KBPBESRZSA-N 0 3 279.380 2.575 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](C)CCc1cccc(C)c1 ZINC000272898560 385645162 /nfs/dbraw/zinc/64/51/62/385645162.db2.gz UPWHTQJNLICBBY-HNNXBMFYSA-N 0 3 295.448 2.507 20 30 CFEDHN COc1cc(CNC[C@@H]2COc3ccccc32)ccc1C#N ZINC000288694652 197147113 /nfs/dbraw/zinc/14/71/13/197147113.db2.gz YDTACLGGSOAVBG-OAHLLOKOSA-N 0 3 294.354 2.833 20 30 CFEDHN C[C@H](Nc1ncc(C#N)cc1Cl)C1=CCN(C)CC1 ZINC000272921544 385654070 /nfs/dbraw/zinc/65/40/70/385654070.db2.gz KIYRXTGQQZWFCR-JTQLQIEISA-N 0 3 276.771 2.669 20 30 CFEDHN C=CCCCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000288676527 197142848 /nfs/dbraw/zinc/14/28/48/197142848.db2.gz YPKMQKLRFFEZAO-HNNXBMFYSA-N 0 3 293.386 2.694 20 30 CFEDHN Cc1cc(Br)cc(C[NH2+]CCCC#N)c1[O-] ZINC000273200813 385673256 /nfs/dbraw/zinc/67/32/56/385673256.db2.gz RJDGTEZCMVKPRY-UHFFFAOYSA-N 0 3 283.169 2.857 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000274147975 385728575 /nfs/dbraw/zinc/72/85/75/385728575.db2.gz FLQOVXYFXXILPX-FRRDWIJNSA-N 0 3 274.364 2.797 20 30 CFEDHN C#CCN(C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000274211321 385739618 /nfs/dbraw/zinc/73/96/18/385739618.db2.gz TVKWTQIHYQBNJP-PKOBYXMFSA-N 0 3 299.414 2.539 20 30 CFEDHN CN(C)[C@@H](CNc1cc(C#N)ccn1)c1cccc(F)c1 ZINC000286933079 385743593 /nfs/dbraw/zinc/74/35/93/385743593.db2.gz LPNFWYVMWUAGIR-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000286936437 385745221 /nfs/dbraw/zinc/74/52/21/385745221.db2.gz LNNZGNPSYDBYFI-GJZGRUSLSA-N 0 3 283.799 2.680 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](CCO)c1ccc(Cl)cc1 ZINC000286936444 385745268 /nfs/dbraw/zinc/74/52/68/385745268.db2.gz LNNZGNPSYDBYFI-HUUCEWRRSA-N 0 3 283.799 2.680 20 30 CFEDHN C#CCC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274300294 385760893 /nfs/dbraw/zinc/76/08/93/385760893.db2.gz FCPAZVKBYJJTFG-KRWDZBQOSA-N 0 3 298.430 2.769 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC2(CCSCC2)CC1 ZINC000639983090 385804276 /nfs/dbraw/zinc/80/42/76/385804276.db2.gz OIXBAIPWGCYSHL-ZDUSSCGKSA-N 0 3 255.427 2.533 20 30 CFEDHN C[C@H](NCCC(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000274769055 385867632 /nfs/dbraw/zinc/86/76/32/385867632.db2.gz GZICLPSGBUUHOL-JTQLQIEISA-N 0 3 250.317 2.509 20 30 CFEDHN C=C(C)CCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000274788725 385870719 /nfs/dbraw/zinc/87/07/19/385870719.db2.gz NGFHGXSQGVCARU-UHFFFAOYSA-N 0 3 279.815 2.819 20 30 CFEDHN C=CCCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000276511514 385989398 /nfs/dbraw/zinc/98/93/98/385989398.db2.gz XPIBXZIXRVHTKC-MRXNPFEDSA-N 0 3 283.375 2.562 20 30 CFEDHN C#CCCCN[C@H](CCSC)c1nnc2ccccn21 ZINC000275152875 385945809 /nfs/dbraw/zinc/94/58/09/385945809.db2.gz HAGGDEMFVMYRSP-CYBMUJFWSA-N 0 3 288.420 2.527 20 30 CFEDHN Cn1cc(CN2CC[C@@H](COc3ccccc3)C2)cc1C#N ZINC000276721900 386025163 /nfs/dbraw/zinc/02/51/63/386025163.db2.gz FMXJTRUVXQXGHR-OAHLLOKOSA-N 0 3 295.386 2.798 20 30 CFEDHN Cc1ccccc1CN(C)Cc1cc(C#N)n(C)c1 ZINC000276789657 386044421 /nfs/dbraw/zinc/04/44/21/386044421.db2.gz SFUKHYLENOPAAO-UHFFFAOYSA-N 0 3 253.349 2.837 20 30 CFEDHN CCNC(=O)C1(CN[C@H](C)c2cccc(C#N)c2)CCC1 ZINC000276815042 386050853 /nfs/dbraw/zinc/05/08/53/386050853.db2.gz FFNDBYAAFXDPJJ-CYBMUJFWSA-N 0 3 285.391 2.515 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000277016289 386108053 /nfs/dbraw/zinc/10/80/53/386108053.db2.gz QIAJVAXYUFDIPY-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276935125 386085494 /nfs/dbraw/zinc/08/54/94/386085494.db2.gz BFXPZXQTOOZMLK-JSGCOSHPSA-N 0 3 282.746 2.527 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288345248 197055373 /nfs/dbraw/zinc/05/53/73/197055373.db2.gz SXFGPILVQINGAM-SJLPKXTDSA-N 0 3 298.430 2.959 20 30 CFEDHN CCn1nccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000681352584 542442802 /nfs/dbraw/zinc/44/28/02/542442802.db2.gz WGAHJQVEQJHKLL-CYBMUJFWSA-N 0 3 290.326 2.941 20 30 CFEDHN C=CCSCCNCc1cn(C(C)C)nc1C ZINC000281309667 195191293 /nfs/dbraw/zinc/19/12/93/195191293.db2.gz JVDSALZTZCGSJC-UHFFFAOYSA-N 0 3 253.415 2.781 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccoc2C2CC2)CC1 ZINC000281397624 195225771 /nfs/dbraw/zinc/22/57/71/195225771.db2.gz XGLHCNJEOPTKFX-UHFFFAOYSA-N 0 3 274.364 2.537 20 30 CFEDHN COc1cc(CNC[C@@H](OC)C(C)(C)C)ccc1C#N ZINC000281446757 195243507 /nfs/dbraw/zinc/24/35/07/195243507.db2.gz ABBRFJADRGSYQM-OAHLLOKOSA-N 0 3 276.380 2.718 20 30 CFEDHN COc1cc(CNC[C@H](OC)C(C)(C)C)ccc1C#N ZINC000281446755 195243653 /nfs/dbraw/zinc/24/36/53/195243653.db2.gz ABBRFJADRGSYQM-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN C=CCOc1ccccc1CNCCc1ccccn1 ZINC000034991260 260002773 /nfs/dbraw/zinc/00/27/73/260002773.db2.gz XFKTYRHRMJOEBG-UHFFFAOYSA-N 0 3 268.360 2.979 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](CC(C)C)C1 ZINC000119227436 260025122 /nfs/dbraw/zinc/02/51/22/260025122.db2.gz ADTFVJQRZMODSC-JKSUJKDBSA-N 0 3 293.455 2.753 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000355353793 262363832 /nfs/dbraw/zinc/36/38/32/262363832.db2.gz KEQOPPLGBMJJAR-ZIAGYGMSSA-N 0 3 279.428 2.505 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C(C)(C)C ZINC000355353781 262363868 /nfs/dbraw/zinc/36/38/68/262363868.db2.gz KEQOPPLGBMJJAR-KGLIPLIRSA-N 0 3 279.428 2.505 20 30 CFEDHN N#CCSCCCN1CCC[C@@H]1c1cccnc1 ZINC000336783818 262394647 /nfs/dbraw/zinc/39/46/47/262394647.db2.gz IEWNKBMGEWRPRL-CQSZACIVSA-N 0 3 261.394 2.865 20 30 CFEDHN COc1cc(CNC[C@H](O)C2CCCCC2)ccc1C#N ZINC000281652219 195323698 /nfs/dbraw/zinc/32/36/98/195323698.db2.gz KBZVWHGDRLHQAB-INIZCTEOSA-N 0 3 288.391 2.598 20 30 CFEDHN CN(C)CC1(Nc2snc(Cl)c2C#N)CCC1 ZINC000281781559 195379213 /nfs/dbraw/zinc/37/92/13/195379213.db2.gz HHQIKTQMWTZQLF-UHFFFAOYSA-N 0 3 270.789 2.564 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)CCC1CCOCC1 ZINC000156853365 533268312 /nfs/dbraw/zinc/26/83/12/533268312.db2.gz ZOSSMVGYHBIQAN-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN COc1cccc(C=C2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000336570364 533442607 /nfs/dbraw/zinc/44/26/07/533442607.db2.gz RCYOTEGPLNJHKA-CYBMUJFWSA-N 0 3 284.359 2.861 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(CC)CCOC2)cc1OC ZINC000682952639 542617236 /nfs/dbraw/zinc/61/72/36/542617236.db2.gz VOOWCORCHBPKHA-KRWDZBQOSA-N 0 3 291.391 2.919 20 30 CFEDHN N#Cc1ccc(CN2CCCCC[C@@H]2CCO)c(F)c1 ZINC000342056084 130226514 /nfs/dbraw/zinc/22/65/14/130226514.db2.gz GZUARRVXUDUICK-OAHLLOKOSA-N 0 3 276.355 2.824 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccccc1 ZINC000683022203 542630320 /nfs/dbraw/zinc/63/03/20/542630320.db2.gz DZZGBCKLGNZAKU-QFBILLFUSA-N 0 3 279.383 2.792 20 30 CFEDHN C[C@H](C(=O)NCCN1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000360013972 130575039 /nfs/dbraw/zinc/57/50/39/130575039.db2.gz CZFFTZJHHLLGCH-GJZGRUSLSA-N 0 3 299.418 2.652 20 30 CFEDHN C=CCN(C(=O)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372597425 393452551 /nfs/dbraw/zinc/45/25/51/393452551.db2.gz AUGLURBUNZRTFA-KRWDZBQOSA-N 0 3 286.419 2.932 20 30 CFEDHN C#CCOc1ccc(CN2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000374091738 393482908 /nfs/dbraw/zinc/48/29/08/393482908.db2.gz BDMKWRUTHWQVJW-QZTJIDSGSA-N 0 3 285.387 2.842 20 30 CFEDHN N#CCSCCCN(Cc1ccccn1)C1CC1 ZINC000179292428 393462128 /nfs/dbraw/zinc/46/21/28/393462128.db2.gz VPSBGYCZBDIWFM-UHFFFAOYSA-N 0 3 261.394 2.693 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000179399480 393466892 /nfs/dbraw/zinc/46/68/92/393466892.db2.gz KQFNOUDXUODEIQ-OAHLLOKOSA-N 0 3 287.407 2.647 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3cccs3)C[C@H]2C)C1=O ZINC000374156347 393486530 /nfs/dbraw/zinc/48/65/30/393486530.db2.gz CPQXEMZWMWTCCK-MCIONIFRSA-N 0 3 290.432 2.713 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccn1 ZINC000181796351 393502506 /nfs/dbraw/zinc/50/25/06/393502506.db2.gz BPGVZTYXIWPMKQ-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H](N)CC(C)C)c1 ZINC000032112496 393511946 /nfs/dbraw/zinc/51/19/46/393511946.db2.gz VXVHPAPTGNTXMD-CQSZACIVSA-N 0 3 262.353 2.563 20 30 CFEDHN Cc1ccc(C#N)c(N2CCC[C@@H](N3CCCCC3)C2)n1 ZINC000376187969 393516133 /nfs/dbraw/zinc/51/61/33/393516133.db2.gz OBHDPRHHOKIPIR-MRXNPFEDSA-N 0 3 284.407 2.716 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000183497971 393521227 /nfs/dbraw/zinc/52/12/27/393521227.db2.gz VJMCEVXMFYYBBH-NEPJUHHUSA-N 0 3 297.370 2.821 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OCC(C)C)cc1 ZINC000184287083 393525908 /nfs/dbraw/zinc/52/59/08/393525908.db2.gz XWZXEQUKULLINJ-HNNXBMFYSA-N 0 3 263.381 2.748 20 30 CFEDHN CC(C)OC1CC(NCc2ccc(C#N)cc2F)C1 ZINC000185850794 393538375 /nfs/dbraw/zinc/53/83/75/393538375.db2.gz PQDVZJKOMZLCJC-UHFFFAOYSA-N 0 3 262.328 2.743 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccccc1SC ZINC000684211367 542777081 /nfs/dbraw/zinc/77/70/81/542777081.db2.gz OGBWNUQLEHOLDA-ZDUSSCGKSA-N 0 3 251.395 2.777 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccccn1)C(C)C ZINC000046049386 393574796 /nfs/dbraw/zinc/57/47/96/393574796.db2.gz RAAFIUUPMJNDFR-MRXNPFEDSA-N 0 3 287.407 2.510 20 30 CFEDHN C[C@H]1CC[C@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000190380838 393581348 /nfs/dbraw/zinc/58/13/48/393581348.db2.gz ZMKSJEUWYIXGEH-DOTOQJQBSA-N 0 3 299.418 2.638 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000334229349 393583053 /nfs/dbraw/zinc/58/30/53/393583053.db2.gz IDRTXEYJMGURMB-IXLVIVEVSA-N 0 3 254.333 2.850 20 30 CFEDHN C=C1CCN(Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000334285334 393588993 /nfs/dbraw/zinc/58/89/93/393588993.db2.gz GKCNALGACSBLRL-UHFFFAOYSA-N 0 3 268.364 2.728 20 30 CFEDHN C#CCCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000192309830 393619913 /nfs/dbraw/zinc/61/99/13/393619913.db2.gz IJDQUVLMWAJAKC-UHFFFAOYSA-N 0 3 290.382 2.519 20 30 CFEDHN CC(C)C1(c2ccccc2)CN(C(=O)C(C)C#N)C1 ZINC000334806142 393622882 /nfs/dbraw/zinc/62/28/82/393622882.db2.gz FYUMACMLKWBANY-CYBMUJFWSA-N 0 3 256.349 2.582 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000335015175 393634487 /nfs/dbraw/zinc/63/44/87/393634487.db2.gz VSBWEHMOGAXBPP-WBMJQRKESA-N 0 3 274.339 2.909 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cn2cc(C)ccc2n1 ZINC000411640549 393733726 /nfs/dbraw/zinc/73/37/26/393733726.db2.gz KUCZUSLOBWDRGI-UHFFFAOYSA-N 0 3 286.423 2.582 20 30 CFEDHN CC1(C)CN(CCOc2ccc(C#N)cc2)CCS1 ZINC000083418989 393743292 /nfs/dbraw/zinc/74/32/92/393743292.db2.gz RYRJHHLNIHJIJO-UHFFFAOYSA-N 0 3 276.405 2.764 20 30 CFEDHN Cn1ncc2c1CCCN(CCCCC(C)(C)C#N)C2 ZINC000411847322 393755370 /nfs/dbraw/zinc/75/53/70/393755370.db2.gz GNDCJVMPWFYHSI-UHFFFAOYSA-N 0 3 274.412 2.888 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCSC2(CCC2)CC1 ZINC000411869995 393757290 /nfs/dbraw/zinc/75/72/90/393757290.db2.gz OBZCVEGADQSBLU-UHFFFAOYSA-N 0 3 296.480 2.773 20 30 CFEDHN CC(C#N)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000335700644 393690784 /nfs/dbraw/zinc/69/07/84/393690784.db2.gz SDNXLGZWPAMKGQ-JTQLQIEISA-N 0 3 287.750 2.797 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCCCCC1 ZINC000077247028 393697137 /nfs/dbraw/zinc/69/71/37/393697137.db2.gz SMVQLQOAEIWMKS-UHFFFAOYSA-N 0 3 274.364 2.822 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000411999940 393759901 /nfs/dbraw/zinc/75/99/01/393759901.db2.gz UJHSARWDZIOTTP-DLBZAZTESA-N 0 3 286.419 2.947 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@H]1C ZINC000411620422 393730636 /nfs/dbraw/zinc/73/06/36/393730636.db2.gz PKNCLZQCHHXFFD-UONOGXRCSA-N 0 3 278.396 2.734 20 30 CFEDHN C=CCOCCN(C)Cc1ccc(OC)c(Cl)c1 ZINC000412045187 393761254 /nfs/dbraw/zinc/76/12/54/393761254.db2.gz RKXILFZKAOHKDN-UHFFFAOYSA-N 0 3 269.772 2.983 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CCC2)c(F)c1 ZINC000412557232 393770013 /nfs/dbraw/zinc/77/00/13/393770013.db2.gz IDAIWWVSGWPHED-UHFFFAOYSA-N 0 3 275.327 2.520 20 30 CFEDHN C=CCOCCCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412556038 393770267 /nfs/dbraw/zinc/77/02/67/393770267.db2.gz DIKWGMSAJHDRNV-UHFFFAOYSA-N 0 3 294.370 2.809 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412904543 393775672 /nfs/dbraw/zinc/77/56/72/393775672.db2.gz XAJNCMWMZYIOMJ-OLZOCXBDSA-N 0 3 294.395 2.507 20 30 CFEDHN COC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180589 393776299 /nfs/dbraw/zinc/77/62/99/393776299.db2.gz AUHOUXSBZWZUDF-LLVKDONJSA-N 0 3 271.282 2.681 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000229412964 393776724 /nfs/dbraw/zinc/77/67/24/393776724.db2.gz OVVVWFHFADZVNX-HZSPNIEDSA-N 0 3 285.391 2.863 20 30 CFEDHN CC[C@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000413535606 393785234 /nfs/dbraw/zinc/78/52/34/393785234.db2.gz DWGLDAXWVBSGOZ-GVDBMIGSSA-N 0 3 299.418 2.625 20 30 CFEDHN C=CCCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000338602742 393793364 /nfs/dbraw/zinc/79/33/64/393793364.db2.gz IDNWWDICZFESIC-KRWDZBQOSA-N 0 3 286.419 2.906 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C ZINC000413991690 393793456 /nfs/dbraw/zinc/79/34/56/393793456.db2.gz WJKZQQGYGGJLSM-SJORKVTESA-N 0 3 288.435 2.876 20 30 CFEDHN C=CC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000237831170 393795564 /nfs/dbraw/zinc/79/55/64/393795564.db2.gz WJWXHCYTAOMCFZ-OAHLLOKOSA-N 0 3 258.365 2.501 20 30 CFEDHN C[C@H](Cn1cccn1)NCc1cccc(OCCCC#N)c1 ZINC000338954898 393807374 /nfs/dbraw/zinc/80/73/74/393807374.db2.gz QMCMBAMENJMKAT-OAHLLOKOSA-N 0 3 298.390 2.744 20 30 CFEDHN CN(CCCC(=O)OC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000339003464 393808383 /nfs/dbraw/zinc/80/83/83/393808383.db2.gz MOWHOEAZVRGDMO-STQMWFEESA-N 0 3 266.385 2.732 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000339082220 393816494 /nfs/dbraw/zinc/81/64/94/393816494.db2.gz STQMOBJIJJPLKH-VNQPRFMTSA-N 0 3 280.375 2.975 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@]3(C2)OCc2ccccc23)C1 ZINC000339093709 393818550 /nfs/dbraw/zinc/81/85/50/393818550.db2.gz DHAZGXDBHLVKQF-UNEWFSDZSA-N 0 3 268.360 2.810 20 30 CFEDHN C/C(=C\c1ccccc1)CN(C)CCOCCC#N ZINC000339122587 393819843 /nfs/dbraw/zinc/81/98/43/393819843.db2.gz BFPFHPDBPYJSEX-FYWRMAATSA-N 0 3 258.365 2.952 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342988981 393876419 /nfs/dbraw/zinc/87/64/19/393876419.db2.gz IBVGOXKWUHVYJG-YDHLFZDLSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000427499000 393893323 /nfs/dbraw/zinc/89/33/23/393893323.db2.gz ZFYFORFUNLLMCU-XIRDDKMYSA-N 0 3 286.419 2.945 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344129065 393895871 /nfs/dbraw/zinc/89/58/71/393895871.db2.gz XLJAMQJCHDVOMG-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN CN(C)CCN(C)c1nc2c(cc1C#N)CCCC2(C)C ZINC000428177786 393896555 /nfs/dbraw/zinc/89/65/55/393896555.db2.gz RNUUNPBPNAIFML-UHFFFAOYSA-N 0 3 286.423 2.565 20 30 CFEDHN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCC(C)(C)C#N ZINC000345708680 393914088 /nfs/dbraw/zinc/91/40/88/393914088.db2.gz BQRYSHUODHDTLT-GJZGRUSLSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CCC[C@H](NCc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000345493028 393909896 /nfs/dbraw/zinc/90/98/96/393909896.db2.gz UZSKCEKSNSEEIK-ZDUSSCGKSA-N 0 3 299.461 2.986 20 30 CFEDHN CC(C)(C)NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416399643 393915182 /nfs/dbraw/zinc/91/51/82/393915182.db2.gz PHKGCOFBWLVCCI-SECBINFHSA-N 0 3 285.269 2.622 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000345766621 393916838 /nfs/dbraw/zinc/91/68/38/393916838.db2.gz AGIORWKIJQEMLW-RKDXNWHRSA-N 0 3 265.382 2.777 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](CC2CC2)c2ccccc2)C1=O ZINC000684890219 542866212 /nfs/dbraw/zinc/86/62/12/542866212.db2.gz DNGPQGSAYVBQFK-IAGOWNOFSA-N 0 3 284.403 2.904 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@H]1CCCO1 ZINC000119662993 393923855 /nfs/dbraw/zinc/92/38/55/393923855.db2.gz BYDOXNFDMNEOGY-CHWSQXEVSA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000249837650 393926144 /nfs/dbraw/zinc/92/61/44/393926144.db2.gz TYRASJHKKQVRNT-YOEHRIQHSA-N 0 3 297.402 2.786 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000346331214 393926232 /nfs/dbraw/zinc/92/62/32/393926232.db2.gz MFKBZVREYSMNGN-IPYPFGDCSA-N 0 3 256.349 2.798 20 30 CFEDHN C=C(C)[C@H](CC(=O)NCCN1CCCC(C)(C)C1)OCC ZINC000347476242 393941428 /nfs/dbraw/zinc/94/14/28/393941428.db2.gz YSTZJXSQBJJZQP-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN COc1ccc(CNCCCC#N)cc1Br ZINC000258961519 393946508 /nfs/dbraw/zinc/94/65/08/393946508.db2.gz SYTXTIWMHUQMGX-UHFFFAOYSA-N 0 3 283.169 2.851 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000121111914 393949174 /nfs/dbraw/zinc/94/91/74/393949174.db2.gz DLIUHYBCGKKDHF-CQSZACIVSA-N 0 3 254.418 2.918 20 30 CFEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1ccccn1 ZINC000434628207 394016991 /nfs/dbraw/zinc/01/69/91/394016991.db2.gz ONOGOCOQISXRKD-NSHDSACASA-N 0 3 278.271 2.555 20 30 CFEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)[C@@H](C)[C@H]1C ZINC000418135204 394018275 /nfs/dbraw/zinc/01/82/75/394018275.db2.gz QVRLVNFQVWAYEG-AGIUHOORSA-N 0 3 268.364 2.682 20 30 CFEDHN CC[C@H](C)N[C@H](CNc1ccc(C#N)c(C)n1)c1ccco1 ZINC000487716733 394020441 /nfs/dbraw/zinc/02/04/41/394020441.db2.gz GIFDYHJQMUQPRJ-SWLSCSKDSA-N 0 3 298.390 2.818 20 30 CFEDHN CC1(CNCc2ccc(C#N)cc2C(F)(F)F)COC1 ZINC000352832274 394020445 /nfs/dbraw/zinc/02/04/45/394020445.db2.gz FBPYXSCJAWPIIP-UHFFFAOYSA-N 0 3 284.281 2.703 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000417385236 393954460 /nfs/dbraw/zinc/95/44/60/393954460.db2.gz LWKLQMZCUSBYIF-ZWNOBZJWSA-N 0 3 297.324 2.687 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CCSCC2)cc1 ZINC000126215502 394022784 /nfs/dbraw/zinc/02/27/84/394022784.db2.gz JFUDVWGJHUQGBJ-UHFFFAOYSA-N 0 3 275.421 2.585 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1 ZINC000349179690 393964712 /nfs/dbraw/zinc/96/47/12/393964712.db2.gz CENROUFQYSDVJM-MRXNPFEDSA-N 0 3 297.402 2.974 20 30 CFEDHN C[C@H](NCCc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000271905769 394024490 /nfs/dbraw/zinc/02/44/90/394024490.db2.gz BXKHIEKTEHRQHP-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN CC(C)N1CCC[C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000487189527 393988253 /nfs/dbraw/zinc/98/82/53/393988253.db2.gz ICENWIZEJIHUBK-RHSMWYFYSA-N 0 3 299.418 2.651 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)O ZINC000437159397 394048178 /nfs/dbraw/zinc/04/81/78/394048178.db2.gz FOWXCXXJNKLBCR-NSHDSACASA-N 0 3 298.333 2.751 20 30 CFEDHN C#C[C@@H](CC)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000491632753 394054720 /nfs/dbraw/zinc/05/47/20/394054720.db2.gz QJYFTCWGEWAUNI-UQTJOTSZSA-N 0 3 258.321 3.000 20 30 CFEDHN COCCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437428540 394056011 /nfs/dbraw/zinc/05/60/11/394056011.db2.gz GXIYLUSBHHLLAP-UHFFFAOYSA-N 0 3 284.306 2.628 20 30 CFEDHN CCC(C)(C)CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000355086127 394056713 /nfs/dbraw/zinc/05/67/13/394056713.db2.gz YQORCLLCXWOTGH-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@](C)(O)CC1 ZINC000355281353 394061844 /nfs/dbraw/zinc/06/18/44/394061844.db2.gz OKLXXSJTIZLTIX-QGZVFWFLSA-N 0 3 275.392 2.988 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@](C)(O)CC1 ZINC000355281351 394062040 /nfs/dbraw/zinc/06/20/40/394062040.db2.gz OKLXXSJTIZLTIX-KRWDZBQOSA-N 0 3 275.392 2.988 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC000355407758 394064573 /nfs/dbraw/zinc/06/45/73/394064573.db2.gz VEGXVQAMOKETDZ-CYBMUJFWSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC000355405750 394064597 /nfs/dbraw/zinc/06/45/97/394064597.db2.gz RSRCFUIPKLDARU-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCC1(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000356201904 394075483 /nfs/dbraw/zinc/07/54/83/394075483.db2.gz IZMKCPHEGJDKPN-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN CC(C)[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000438488565 394079136 /nfs/dbraw/zinc/07/91/36/394079136.db2.gz DFAGYDIJENVNFW-WBVHZDCISA-N 0 3 297.402 2.641 20 30 CFEDHN Cc1ccc(N[C@H](C)[C@H](c2ccccc2)N(C)C)nc1C#N ZINC000357683622 394091038 /nfs/dbraw/zinc/09/10/38/394091038.db2.gz IMKLYKNRFHRGJT-RDTXWAMCSA-N 0 3 294.402 2.787 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCC[C@@H]1SCC ZINC000286001580 394177582 /nfs/dbraw/zinc/17/75/82/394177582.db2.gz GICVZQGCGPQYCH-KKUMJFAQSA-N 0 3 296.480 2.839 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000130337852 394109125 /nfs/dbraw/zinc/10/91/25/394109125.db2.gz BKJUZODRLKPENH-HZPDHXFCSA-N 0 3 288.391 2.692 20 30 CFEDHN C=CCn1c(SC[C@H](C)N(C)C)nnc1-c1ccco1 ZINC000358857513 394114634 /nfs/dbraw/zinc/11/46/34/394114634.db2.gz ZSQYERRQTQLAMS-NSHDSACASA-N 0 3 292.408 2.766 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N(C)C[C@H]3CCCN3C)c2c1 ZINC000420634051 394122297 /nfs/dbraw/zinc/12/22/97/394122297.db2.gz KHMSDHVSIZRNKL-OAHLLOKOSA-N 0 3 294.402 2.945 20 30 CFEDHN CC(C#N)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000360306953 394147057 /nfs/dbraw/zinc/14/70/57/394147057.db2.gz BBHRLENRVCGRIK-VIFPVBQESA-N 0 3 264.275 2.615 20 30 CFEDHN N#CCCCCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000360323972 394148110 /nfs/dbraw/zinc/14/81/10/394148110.db2.gz SHGXYUIZADZGAN-HNNXBMFYSA-N 0 3 262.328 2.973 20 30 CFEDHN CC(C)(CCC#N)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000360425927 394152081 /nfs/dbraw/zinc/15/20/81/394152081.db2.gz PVBXLXUCTXFOFO-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000360693057 394157802 /nfs/dbraw/zinc/15/78/02/394157802.db2.gz XXJRQSXVQRHVNM-SJLPKXTDSA-N 0 3 287.403 2.835 20 30 CFEDHN C[C@H](NCCCSCC#N)c1cncc(F)c1 ZINC000361136263 394167081 /nfs/dbraw/zinc/16/70/81/394167081.db2.gz PQWCQKQNBQZKHX-JTQLQIEISA-N 0 3 253.346 2.518 20 30 CFEDHN C=CCC[C@@H](NCCN(C)CCCOC)c1ccco1 ZINC000285982644 394175373 /nfs/dbraw/zinc/17/53/73/394175373.db2.gz HRNNISKCKPKOMS-OAHLLOKOSA-N 0 3 280.412 2.845 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCC(C)C ZINC000150902099 394255983 /nfs/dbraw/zinc/25/59/83/394255983.db2.gz YZRYHNWBUBSGGU-CQSZACIVSA-N 0 3 254.418 2.825 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccnc(C#N)c1 ZINC000287539931 394207018 /nfs/dbraw/zinc/20/70/18/394207018.db2.gz VYCYGVWMKUJQKB-OAHLLOKOSA-N 0 3 292.386 2.664 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CC23CCSCC3)n1 ZINC000421373680 394207109 /nfs/dbraw/zinc/20/71/09/394207109.db2.gz GVMSCBKCZGDTJI-SNVBAGLBSA-N 0 3 279.434 2.638 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)C2CCCCC2)cc1F ZINC000421376748 394208478 /nfs/dbraw/zinc/20/84/78/394208478.db2.gz FGPONSKTGBKSNK-MRXNPFEDSA-N 0 3 290.382 2.976 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2ccc(C#N)c(F)c2)c1 ZINC000421384631 394213626 /nfs/dbraw/zinc/21/36/26/394213626.db2.gz KKYAXHVUWARRCU-KRWDZBQOSA-N 0 3 298.361 2.699 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000289784898 394222061 /nfs/dbraw/zinc/22/20/61/394222061.db2.gz MXCARFHCVNZPHZ-GDBMZVCRSA-N 0 3 274.408 2.874 20 30 CFEDHN C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(C#N)cc1 ZINC000290441510 394229194 /nfs/dbraw/zinc/22/91/94/394229194.db2.gz VPIIGTDGFALJCE-ULFGMLNVSA-N 0 3 294.354 2.703 20 30 CFEDHN C#Cc1ccc(CN[C@H](CCO)c2ccc(OC)cc2)cc1 ZINC000290565048 394230888 /nfs/dbraw/zinc/23/08/88/394230888.db2.gz ZXLJGNVHIZUFBU-LJQANCHMSA-N 0 3 295.382 2.890 20 30 CFEDHN N#Cc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000367100760 394251317 /nfs/dbraw/zinc/25/13/17/394251317.db2.gz QKFXEUIULVXFAV-IBGZPJMESA-N 0 3 292.382 2.872 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(C)(C)C ZINC000150879277 394254253 /nfs/dbraw/zinc/25/42/53/394254253.db2.gz NCAMEXXMAOSNLO-CYBMUJFWSA-N 0 3 254.418 2.968 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000133949884 394185915 /nfs/dbraw/zinc/18/59/15/394185915.db2.gz CIBSJFCGWLUCHU-OKILXGFUSA-N 0 3 256.349 2.799 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000150879245 394254867 /nfs/dbraw/zinc/25/48/67/394254867.db2.gz NCAMEXXMAOSNLO-ZDUSSCGKSA-N 0 3 254.418 2.968 20 30 CFEDHN Cc1noc(C)c1CCNCc1ccc(C#N)c(F)c1 ZINC000421329183 394189413 /nfs/dbraw/zinc/18/94/13/394189413.db2.gz UZCNQNCQPHNUBG-UHFFFAOYSA-N 0 3 273.311 2.635 20 30 CFEDHN Cc1nc(C)n(C[C@@H]2CCCCN2CCC(C)(C)C#N)n1 ZINC000363477842 394196369 /nfs/dbraw/zinc/19/63/69/394196369.db2.gz BOEPBXKUKPFVPX-HNNXBMFYSA-N 0 3 289.427 2.689 20 30 CFEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000493551988 394275815 /nfs/dbraw/zinc/27/58/15/394275815.db2.gz STGORFDILZPBEK-LSDHHAIUSA-N 0 3 278.783 2.852 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1c[nH]c(-c2ccccc2)n1 ZINC000449518671 394280314 /nfs/dbraw/zinc/28/03/14/394280314.db2.gz KFVBHCGFSGKDAE-CABCVRRESA-N 0 3 269.348 2.510 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccccc2)[nH]1 ZINC000449518671 394280315 /nfs/dbraw/zinc/28/03/15/394280315.db2.gz KFVBHCGFSGKDAE-CABCVRRESA-N 0 3 269.348 2.510 20 30 CFEDHN C[C@@H]1[C@H](C)N(CCC2(C#N)CCCCC2)CCN1C ZINC000334565574 289013778 /nfs/dbraw/zinc/01/37/78/289013778.db2.gz PBXDCQJJXQAAEU-CABCVRRESA-N 0 3 263.429 2.875 20 30 CFEDHN CC#CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000156626252 394336443 /nfs/dbraw/zinc/33/64/43/394336443.db2.gz AECAJAHHOPLCOO-INIZCTEOSA-N 0 3 273.376 2.787 20 30 CFEDHN CC#CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000156626252 394336445 /nfs/dbraw/zinc/33/64/45/394336445.db2.gz AECAJAHHOPLCOO-INIZCTEOSA-N 0 3 273.376 2.787 20 30 CFEDHN CC[C@H](O)[C@H](CC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453378492 394392740 /nfs/dbraw/zinc/39/27/40/394392740.db2.gz QTNCZFFNGPPGAS-LKTVYLICSA-N 0 3 264.344 2.897 20 30 CFEDHN C=CCOCCN1CCC[C@H]1COc1ccccc1 ZINC000451315258 394375671 /nfs/dbraw/zinc/37/56/71/394375671.db2.gz QUTBVTWKNMYWHY-HNNXBMFYSA-N 0 3 261.365 2.732 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000684962623 542879489 /nfs/dbraw/zinc/87/94/89/542879489.db2.gz ZYCVOYKCKOGSRB-AWEZNQCLSA-N 0 3 271.364 2.726 20 30 CFEDHN CC(C)(C#N)CCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000174831113 394379900 /nfs/dbraw/zinc/37/99/00/394379900.db2.gz LNAADXUSXJLKJI-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(c2cccc(O)c2)CC1 ZINC000175071421 394380361 /nfs/dbraw/zinc/38/03/61/394380361.db2.gz QAUMHSKCAZZDSI-UHFFFAOYSA-N 0 3 287.407 2.844 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000526941793 394384587 /nfs/dbraw/zinc/38/45/87/394384587.db2.gz QKKNCPFCCBEASN-HOCLYGCPSA-N 0 3 294.402 2.917 20 30 CFEDHN CC[C@H](O)[C@H](CC)N[C@H](C)c1ccc(C#N)cc1F ZINC000453347123 394388234 /nfs/dbraw/zinc/38/82/34/394388234.db2.gz FFQSTAWRYNTCRS-ONERCXAPSA-N 0 3 264.344 2.897 20 30 CFEDHN COCC#CCN(Cc1ccc(OC)cc1)C(C)(C)C ZINC000685056964 542891512 /nfs/dbraw/zinc/89/15/12/542891512.db2.gz YRRHKYYJGPGDER-UHFFFAOYSA-N 0 3 275.392 2.946 20 30 CFEDHN C=CCCN1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000685044446 542889902 /nfs/dbraw/zinc/88/99/02/542889902.db2.gz SLKPKIZEFBCFBM-OAHLLOKOSA-N 0 3 270.376 2.987 20 30 CFEDHN CC#CCCCc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000685326741 542905937 /nfs/dbraw/zinc/90/59/37/542905937.db2.gz AYONRVYAJKRHHR-AGUYFDCRSA-N 0 3 273.380 2.756 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H](C)C2=CCN(C)CC2)c1C#N ZINC000541349369 394671659 /nfs/dbraw/zinc/67/16/59/394671659.db2.gz LOAFTOPOAFOUQA-LLVKDONJSA-N 0 3 290.798 2.977 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1Cl ZINC000594426654 395103443 /nfs/dbraw/zinc/10/34/43/395103443.db2.gz QMHCRXQWLNQFAT-ZDUSSCGKSA-N 0 3 279.771 2.998 20 30 CFEDHN CC(C)N(Cc1cccs1)C(=O)[C@@H](N)CCCCC#N ZINC000594426698 395103327 /nfs/dbraw/zinc/10/33/27/395103327.db2.gz GAJZXHHLZNTVCM-AWEZNQCLSA-N 0 3 293.436 2.896 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OCC(C)C ZINC000648517475 395182080 /nfs/dbraw/zinc/18/20/80/395182080.db2.gz RYIBHFUGTSCVFI-OAHLLOKOSA-N 0 3 263.381 2.748 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2ccccc2F)CC1 ZINC000649317404 395472662 /nfs/dbraw/zinc/47/26/62/395472662.db2.gz XBLJUYMCCDPKLM-MRXNPFEDSA-N 0 3 263.356 2.942 20 30 CFEDHN C=C(C)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649748625 395565356 /nfs/dbraw/zinc/56/53/56/395565356.db2.gz AUMBSENWDBJWJW-ROUUACIJSA-N 0 3 286.419 2.538 20 30 CFEDHN C=CCN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649782225 395570197 /nfs/dbraw/zinc/57/01/97/395570197.db2.gz HLTPIWDSMGNWBA-WCQYABFASA-N 0 3 261.369 2.634 20 30 CFEDHN Cc1ccc(C[C@@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000336499062 292108974 /nfs/dbraw/zinc/10/89/74/292108974.db2.gz OBQOQTGFDWNMJP-ZFWWWQNUSA-N 0 3 256.349 2.688 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC3CCC2CC3)CC1 ZINC000426367434 397573629 /nfs/dbraw/zinc/57/36/29/397573629.db2.gz UFDFHNDZUJRHLI-ZBCRRDGASA-N 0 3 291.439 2.515 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CCC(C)C)C1CC1 ZINC000045751716 397577138 /nfs/dbraw/zinc/57/71/38/397577138.db2.gz HKNZCEYTHMPWQU-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1cc(C)ccc1C ZINC000046342199 397581123 /nfs/dbraw/zinc/58/11/23/397581123.db2.gz JVILRLRLMKSXLW-MRXNPFEDSA-N 0 3 277.408 2.941 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000356267430 155203176 /nfs/dbraw/zinc/20/31/76/155203176.db2.gz BDCIDRXDCGEBPQ-XJKSGUPXSA-N 0 3 297.402 2.566 20 30 CFEDHN CC(C)OC[C@@H](CO)N(C)CCC1(C#N)CCCCC1 ZINC000411636435 413234494 /nfs/dbraw/zinc/23/44/94/413234494.db2.gz PBAIQDPXTDKEHH-OAHLLOKOSA-N 0 3 282.428 2.568 20 30 CFEDHN C=CCCCCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000574099143 413274844 /nfs/dbraw/zinc/27/48/44/413274844.db2.gz BHARCGKJXFHUSI-ZDUSSCGKSA-N 0 3 252.402 2.627 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C)CCC1 ZINC001085298817 782009234 /nfs/dbraw/zinc/00/92/34/782009234.db2.gz OHKSIXBIGDZAEL-CHWSQXEVSA-N 0 3 284.831 2.946 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)N1CCCC[C@@H]1C ZINC000343275330 154164954 /nfs/dbraw/zinc/16/49/54/154164954.db2.gz HMXNZUUVUZMXON-QWHCGFSZSA-N 0 3 277.437 2.972 20 30 CFEDHN CCCN(CCN1CCCC1)c1ccc(Cl)c(C#N)n1 ZINC000343279984 154165970 /nfs/dbraw/zinc/16/59/70/154165970.db2.gz YTJWOQDCYRFXGZ-UHFFFAOYSA-N 0 3 292.814 2.919 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCCC[C@H]1C ZINC000343277914 154166215 /nfs/dbraw/zinc/16/62/15/154166215.db2.gz HYZRUDVJPKUNLS-OLZOCXBDSA-N 0 3 261.369 2.504 20 30 CFEDHN C[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000348254721 154383231 /nfs/dbraw/zinc/38/32/31/154383231.db2.gz IIMJDXGCPIMDNN-CJNGLKHVSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355780777 155085030 /nfs/dbraw/zinc/08/50/30/155085030.db2.gz IIKFSDBFLIYQQL-KFWWJZLASA-N 0 3 299.418 2.541 20 30 CFEDHN COCC#CCN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000657110777 413310438 /nfs/dbraw/zinc/31/04/38/413310438.db2.gz PKJGISVRPKPPIY-IRXDYDNUSA-N 0 3 257.377 2.904 20 30 CFEDHN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)[C@@H](C)CN1C ZINC000360141428 156032611 /nfs/dbraw/zinc/03/26/11/156032611.db2.gz SGWGIXOMXSOPMK-RYUDHWBXSA-N 0 3 277.799 2.736 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)NCc1cccc(C#N)c1 ZINC000362797666 156087488 /nfs/dbraw/zinc/08/74/88/156087488.db2.gz LWNFICXEUQOYNW-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN Cc1ccc(N2CC[C@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000363264352 156168769 /nfs/dbraw/zinc/16/87/69/156168769.db2.gz LYLIMOJKTDDCLT-AWEZNQCLSA-N 0 3 281.359 2.828 20 30 CFEDHN Cc1cnn(C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000363638674 156191329 /nfs/dbraw/zinc/19/13/29/156191329.db2.gz SQBGMXFGTVPEGN-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN CCOC(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367216266 156299043 /nfs/dbraw/zinc/29/90/43/156299043.db2.gz UHMQXTCFCBOMBQ-UHFFFAOYSA-N 0 3 284.359 2.601 20 30 CFEDHN N#Cc1cccc(CN2CCC(OCC3CC3)CC2)c1 ZINC000374129843 157072425 /nfs/dbraw/zinc/07/24/25/157072425.db2.gz IGNZNBTWXLLGKK-UHFFFAOYSA-N 0 3 270.376 2.949 20 30 CFEDHN N#Cc1ccc(CN2CC[C@]3(C2)CCCOC3)s1 ZINC000375305035 157224555 /nfs/dbraw/zinc/22/45/55/157224555.db2.gz VOVMQEVZSXYJKQ-AWEZNQCLSA-N 0 3 262.378 2.622 20 30 CFEDHN COCC[C@@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000375451764 157245723 /nfs/dbraw/zinc/24/57/23/157245723.db2.gz ZIEPOXDDRWJRTR-AWEZNQCLSA-N 0 3 275.396 2.535 20 30 CFEDHN N#Cc1cccc(C#N)c1N[C@@H]1CCN(C2CCCC2)C1 ZINC000375512189 157253208 /nfs/dbraw/zinc/25/32/08/157253208.db2.gz HOIVGOXDMROBPS-OAHLLOKOSA-N 0 3 280.375 2.859 20 30 CFEDHN Cc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1C#N ZINC000375825604 157291872 /nfs/dbraw/zinc/29/18/72/157291872.db2.gz QDNCUKOQOZJPDR-YOEHRIQHSA-N 0 3 297.402 2.566 20 30 CFEDHN C=CCCn1cc(CNC2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000653599335 413396351 /nfs/dbraw/zinc/39/63/51/413396351.db2.gz JCKSBBMSSRHOPG-STQMWFEESA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](C)[C@@H]2C)nn1 ZINC000653621023 413407703 /nfs/dbraw/zinc/40/77/03/413407703.db2.gz ZSTXFUXDZHMUHN-VNHYZAJKSA-N 0 3 262.401 2.769 20 30 CFEDHN N#CC(C(=O)c1cc[nH]c1C1CCC1)c1ccncn1 ZINC000651339958 413412092 /nfs/dbraw/zinc/41/20/92/413412092.db2.gz BGSNDYXZPKMKLY-LBPRGKRZSA-N 0 3 266.304 2.562 20 30 CFEDHN N#Cc1ccc(CNCCc2cccc(F)c2F)o1 ZINC000344423866 162039466 /nfs/dbraw/zinc/03/94/66/162039466.db2.gz HEBIPULMJCVOGP-UHFFFAOYSA-N 0 3 262.259 2.762 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000344620724 162083745 /nfs/dbraw/zinc/08/37/45/162083745.db2.gz PWEZPTMDAFORRT-ZIAGYGMSSA-N 0 3 285.391 2.551 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCc1ccc(C#N)cc1 ZINC000344743270 162112390 /nfs/dbraw/zinc/11/23/90/162112390.db2.gz RMEHOUKFLABWQK-UHFFFAOYSA-N 0 3 274.364 2.770 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H](O)Cc1ccccc1 ZINC000344841128 162131778 /nfs/dbraw/zinc/13/17/78/162131778.db2.gz CKMGBJUCERLJJP-SCLBCKFNSA-N 0 3 298.361 2.779 20 30 CFEDHN CC[C@H](O)CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346126109 162322954 /nfs/dbraw/zinc/32/29/54/162322954.db2.gz AXYVYHFRIIODHP-RISCZKNCSA-N 0 3 264.344 2.899 20 30 CFEDHN CC[C@H](O)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346126108 162323959 /nfs/dbraw/zinc/32/39/59/162323959.db2.gz AXYVYHFRIIODHP-FZMZJTMJSA-N 0 3 264.344 2.899 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@@H]2C)nn1 ZINC000657329404 413455164 /nfs/dbraw/zinc/45/51/64/413455164.db2.gz QLADUIXQKHKNHF-UONOGXRCSA-N 0 3 262.401 2.770 20 30 CFEDHN CC[C@H](CCO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352834777 163246895 /nfs/dbraw/zinc/24/68/95/163246895.db2.gz JGIUTKUWUVUKTM-GFCCVEGCSA-N 0 3 286.297 2.828 20 30 CFEDHN CC(C)[C@H]1OCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352850955 163251569 /nfs/dbraw/zinc/25/15/69/163251569.db2.gz YNGQHSDTWGIOHO-BXUZGUMPSA-N 0 3 279.409 2.556 20 30 CFEDHN Cc1cc(CN2CC[C@@H](COC(F)F)C2)ccc1C#N ZINC000353022410 163288517 /nfs/dbraw/zinc/28/85/17/163288517.db2.gz LUPGMOZJRYBBML-CYBMUJFWSA-N 0 3 280.318 2.928 20 30 CFEDHN Cn1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000353420948 163361240 /nfs/dbraw/zinc/36/12/40/163361240.db2.gz ILBYUUFKIVOSMW-UHFFFAOYSA-N 0 3 295.386 2.940 20 30 CFEDHN CCCN(Cc1cc(C#N)cs1)CC(C)(C)O ZINC000353421996 163363664 /nfs/dbraw/zinc/36/36/64/163363664.db2.gz MPUGGCNHAIYKCX-UHFFFAOYSA-N 0 3 252.383 2.603 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC1(O)CCC1 ZINC000353478254 163375268 /nfs/dbraw/zinc/37/52/68/163375268.db2.gz FDNAXMWAJIZZGG-UHFFFAOYSA-N 0 3 296.317 2.506 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CCC1)C(C)C ZINC000337538235 262456787 /nfs/dbraw/zinc/45/67/87/262456787.db2.gz IDZLKUGKRIFCAD-HNNXBMFYSA-N 0 3 279.428 2.537 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCc3ccccc32)nn1 ZINC000657356917 413491802 /nfs/dbraw/zinc/49/18/02/413491802.db2.gz IZZGSDGUWDVMHE-OAHLLOKOSA-N 0 3 282.391 2.674 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)Cc2ccc(C)s2)nn1 ZINC000657367069 413504041 /nfs/dbraw/zinc/50/40/41/413504041.db2.gz FRXOWOJNGDIPDB-LBPRGKRZSA-N 0 3 290.436 2.945 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(CC=C)CC2)C1 ZINC000660708311 413508401 /nfs/dbraw/zinc/50/84/01/413508401.db2.gz XHZJAIFFIOCEEC-HNNXBMFYSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CCCn1cc(CNCC2(CCC)CCC2)nn1 ZINC000657394792 413547834 /nfs/dbraw/zinc/54/78/34/413547834.db2.gz UTFANWXXFSOIET-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2nnc3n2CCCCC3)C1 ZINC000651666301 413552530 /nfs/dbraw/zinc/55/25/30/413552530.db2.gz XBTNWIOCBXSHHV-KBPBESRZSA-N 0 3 274.412 2.839 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2nnc3n2CCCCC3)C1 ZINC000651666303 413553291 /nfs/dbraw/zinc/55/32/91/413553291.db2.gz XBTNWIOCBXSHHV-UONOGXRCSA-N 0 3 274.412 2.839 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000651672909 413558129 /nfs/dbraw/zinc/55/81/29/413558129.db2.gz PDJXLBONDNAMLP-VHDGCEQUSA-N 0 3 258.365 2.547 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC=C(c3ccco3)C2)cc1 ZINC000285293671 196243697 /nfs/dbraw/zinc/24/36/97/196243697.db2.gz KNCOFHBUQKDEQD-QGZVFWFLSA-N 0 3 294.354 2.974 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)CN1CCCCC1 ZINC000660824752 413596284 /nfs/dbraw/zinc/59/62/84/413596284.db2.gz QSEQNODUTHIHGG-HRCADAONSA-N 0 3 291.439 2.753 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000664180829 413624595 /nfs/dbraw/zinc/62/45/95/413624595.db2.gz AYXUPUWKAOCQED-CQSZACIVSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000664216311 413640416 /nfs/dbraw/zinc/64/04/16/413640416.db2.gz GXSSTJQQEBENDA-KGLIPLIRSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCC(C)(C)CNCc1cnnn1-c1ccccc1 ZINC000651816644 413657726 /nfs/dbraw/zinc/65/77/26/413657726.db2.gz CNUVKFVCCVKQPP-UHFFFAOYSA-N 0 3 270.380 2.959 20 30 CFEDHN C=CCC[C@H](CO)NCc1cn(-c2cccc(C)c2)nc1C ZINC000651824043 413670769 /nfs/dbraw/zinc/67/07/69/413670769.db2.gz DUOOWUXNEUDYHM-QGZVFWFLSA-N 0 3 299.418 2.906 20 30 CFEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[n-]2)C1 ZINC000651829121 413671662 /nfs/dbraw/zinc/67/16/62/413671662.db2.gz PHMWDTBWCDFOGB-RYUDHWBXSA-N 0 3 262.401 2.937 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2nnc(C(C)(C)C)[nH]2)C1 ZINC000651829121 413671672 /nfs/dbraw/zinc/67/16/72/413671672.db2.gz PHMWDTBWCDFOGB-RYUDHWBXSA-N 0 3 262.401 2.937 20 30 CFEDHN C=CCCn1cc(CNCC2(C3CCC3)CCC2)nn1 ZINC000657486880 413672693 /nfs/dbraw/zinc/67/26/93/413672693.db2.gz KJYAFMPBXOHJIP-UHFFFAOYSA-N 0 3 274.412 2.914 20 30 CFEDHN C=CC[C@H](CO)CNCc1cn(-c2cccc(C)c2)nc1C ZINC000651747538 413610411 /nfs/dbraw/zinc/61/04/11/413610411.db2.gz IBYNVIZAQOMPEJ-INIZCTEOSA-N 0 3 299.418 2.763 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000660841614 413613007 /nfs/dbraw/zinc/61/30/07/413613007.db2.gz QLQNRJWCMAKFIW-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cncnc1OC ZINC000657530181 413714035 /nfs/dbraw/zinc/71/40/35/413714035.db2.gz NFLVCEFSGOLIAJ-TZMCWYRMSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000661048645 413720767 /nfs/dbraw/zinc/72/07/67/413720767.db2.gz NWRATRFFSDAGPV-CABCVRRESA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000661194191 413815250 /nfs/dbraw/zinc/81/52/50/413815250.db2.gz WUGYFIANJJHWKQ-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654316034 413808083 /nfs/dbraw/zinc/80/80/83/413808083.db2.gz YXKBYJIMCFTJGT-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654317740 413809761 /nfs/dbraw/zinc/80/97/61/413809761.db2.gz INULOMNAMBFEKA-KKUMJFAQSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ncnn1CCC ZINC000661113803 413766246 /nfs/dbraw/zinc/76/62/46/413766246.db2.gz ARPXWAYOAVJYDT-ZIAGYGMSSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)C(C)(C)CC)nn1 ZINC000657579484 413768841 /nfs/dbraw/zinc/76/88/41/413768841.db2.gz PYPCHWIHKNXIHU-GFCCVEGCSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn2cccnc2n1 ZINC000661118691 413769110 /nfs/dbraw/zinc/76/91/10/413769110.db2.gz JYRLQZXDQRNBEM-UKRRQHHQSA-N 0 3 270.380 2.954 20 30 CFEDHN C=CCC[C@H](NC[C@@H](C)N1CCN(C)CC1)c1ccco1 ZINC000285520269 196313158 /nfs/dbraw/zinc/31/31/58/196313158.db2.gz BCQVYVYGCGFQPS-CVEARBPZSA-N 0 3 291.439 2.512 20 30 CFEDHN C=CCOCCCNCc1ccc(F)c(F)c1F ZINC000657658883 413825096 /nfs/dbraw/zinc/82/50/96/413825096.db2.gz ISJGPOFCMLZGBB-UHFFFAOYSA-N 0 3 259.271 2.786 20 30 CFEDHN C=CCN(C[C@H](O)[C@@H](C)c1ccccc1)[C@H](C)COC ZINC000661240089 413839981 /nfs/dbraw/zinc/83/99/81/413839981.db2.gz LGCLDAPFDXIIEJ-VYDXJSESSA-N 0 3 277.408 2.674 20 30 CFEDHN C=CCN(CCc1csc(C)n1)[C@@H](C)COC ZINC000661239274 413841499 /nfs/dbraw/zinc/84/14/99/413841499.db2.gz DOEFWJBJJBDPMO-NSHDSACASA-N 0 3 254.399 2.517 20 30 CFEDHN C=CCN(CCC(=O)Nc1cccc(F)c1)[C@@H](C)COC ZINC000661244555 413845081 /nfs/dbraw/zinc/84/50/81/413845081.db2.gz VAPBRCDQLAGNPP-ZDUSSCGKSA-N 0 3 294.370 2.677 20 30 CFEDHN C=CCN(Cc1cc2ccccc2[nH]c1=O)[C@H](C)COC ZINC000661242724 413846960 /nfs/dbraw/zinc/84/69/60/413846960.db2.gz FBISKXMFYBRDGJ-CYBMUJFWSA-N 0 3 286.375 2.963 20 30 CFEDHN C=CCN(CCOc1ccc(OC)cc1)[C@H](C)COC ZINC000661247398 413851379 /nfs/dbraw/zinc/85/13/79/413851379.db2.gz ODAMWZZZUYJHKY-CQSZACIVSA-N 0 3 279.380 2.597 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664590410 413853637 /nfs/dbraw/zinc/85/36/37/413853637.db2.gz WKBWAPBAHXSBCH-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCCC(C)(C)NCc1cn(C(C)(C)C)nn1 ZINC000657805419 413953539 /nfs/dbraw/zinc/95/35/39/413953539.db2.gz OIEMXVPGXRPQIM-UHFFFAOYSA-N 0 3 250.390 2.868 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC(CC)CC)C1 ZINC000661379169 413936357 /nfs/dbraw/zinc/93/63/57/413936357.db2.gz VIGMTSREFPRYCZ-UONOGXRCSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC(C)CC2)C1 ZINC000661378455 413937116 /nfs/dbraw/zinc/93/71/16/413937116.db2.gz GWUDPHYVIFEXQC-HNNXBMFYSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccc(N(C)C)nc2)C1 ZINC000661384684 413941663 /nfs/dbraw/zinc/94/16/63/413941663.db2.gz KGYWAHYHMDTJGY-AWEZNQCLSA-N 0 3 259.397 2.936 20 30 CFEDHN C=CC[C@@H]1CCCN(C[C@H](O)CC(F)(F)F)C1 ZINC000661385441 413945444 /nfs/dbraw/zinc/94/54/44/413945444.db2.gz OSGLCLXVUQMTSX-GHMZBOCLSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCC[C@@H](NCC[C@]1(O)CCCOC1)c1ccco1 ZINC000652327464 413891896 /nfs/dbraw/zinc/89/18/96/413891896.db2.gz ZNNYYLUCHXKSRT-GDBMZVCRSA-N 0 3 279.380 2.808 20 30 CFEDHN C=CCC[C@H](NCC[C@]1(O)CCCOC1)c1ccco1 ZINC000652327465 413892049 /nfs/dbraw/zinc/89/20/49/413892049.db2.gz ZNNYYLUCHXKSRT-GOEBONIOSA-N 0 3 279.380 2.808 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654734361 413982477 /nfs/dbraw/zinc/98/24/77/413982477.db2.gz JEOGJQOHABLJSE-BZUAXINKSA-N 0 3 291.439 2.753 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654729935 413984761 /nfs/dbraw/zinc/98/47/61/413984761.db2.gz YENAYYKWUSFWIQ-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000661441547 413987303 /nfs/dbraw/zinc/98/73/03/413987303.db2.gz HYTOTPOPSZWUSJ-WBVHZDCISA-N 0 3 257.377 2.521 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1CCCC ZINC000657884920 414027636 /nfs/dbraw/zinc/02/76/36/414027636.db2.gz FXBUYOSNUKQKFC-KBPBESRZSA-N 0 3 277.416 2.698 20 30 CFEDHN C[C@@H]1CCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192533989 287278680 /nfs/dbraw/zinc/27/86/80/287278680.db2.gz NJJSDUHBYUJZTE-RHSMWYFYSA-N 0 3 297.402 2.928 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657974840 414083523 /nfs/dbraw/zinc/08/35/23/414083523.db2.gz SNBFGVQAMPFGOE-GXSJLCMTSA-N 0 3 256.296 2.607 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CCF)C1 ZINC000661695667 414138706 /nfs/dbraw/zinc/13/87/06/414138706.db2.gz HEWXFBHANGBSHS-CABCVRRESA-N 0 3 282.403 2.647 20 30 CFEDHN C[C@@]12COC[C@@H]1CN(CC#Cc1ccc(Cl)cc1)C2 ZINC000661700401 414152528 /nfs/dbraw/zinc/15/25/28/414152528.db2.gz CPAQHNRCKOLNGF-GOEBONIOSA-N 0 3 275.779 2.660 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000658027086 414110718 /nfs/dbraw/zinc/11/07/18/414110718.db2.gz KIEQHUIUVMIJDG-AAEUAGOBSA-N 0 3 260.385 2.907 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(CC=C)nn1 ZINC000658036681 414122921 /nfs/dbraw/zinc/12/29/21/414122921.db2.gz ASQSIDMTORBTQA-HIFRSBDPSA-N 0 3 260.385 2.689 20 30 CFEDHN C=CCN(CC(=O)N(CCC)CCC)C(C)(C)C ZINC000661755002 414194184 /nfs/dbraw/zinc/19/41/84/414194184.db2.gz FPMUEGUFUXAXOT-UHFFFAOYSA-N 0 3 254.418 2.922 20 30 CFEDHN C=CCN(CC(=O)NC1CCC(C)CC1)C(C)(C)C ZINC000661755524 414194546 /nfs/dbraw/zinc/19/45/46/414194546.db2.gz SJNOUZKBDQHRAU-UHFFFAOYSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCC[C@H](C)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000658105287 414201429 /nfs/dbraw/zinc/20/14/29/414201429.db2.gz GJPGNEYCHFMFFM-GXTWGEPZSA-N 0 3 258.365 2.518 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000658105381 414206661 /nfs/dbraw/zinc/20/66/61/414206661.db2.gz HFROAIRXXGNNTD-BMFZPTHFSA-N 0 3 284.403 2.909 20 30 CFEDHN C=CCCN[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000658116068 414213045 /nfs/dbraw/zinc/21/30/45/414213045.db2.gz GNEDMSBJIRQEFU-LLVKDONJSA-N 0 3 262.353 2.880 20 30 CFEDHN C=CCCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000658117272 414217370 /nfs/dbraw/zinc/21/73/70/414217370.db2.gz SIJJAUIXLADHME-LBPRGKRZSA-N 0 3 256.353 2.802 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000665286323 414260936 /nfs/dbraw/zinc/26/09/36/414260936.db2.gz JFCXSYARHPPIEM-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1ccncc1Cl ZINC000658208266 414283268 /nfs/dbraw/zinc/28/32/68/414283268.db2.gz ZGZZVRZMKJPWJR-NSHDSACASA-N 0 3 254.761 2.978 20 30 CFEDHN CCC(=O)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000655466920 414288032 /nfs/dbraw/zinc/28/80/32/414288032.db2.gz AAPFBMYLWIQXJE-CQSZACIVSA-N 0 3 287.363 2.629 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661896772 414297906 /nfs/dbraw/zinc/29/79/06/414297906.db2.gz FVTKADLSTBEKHZ-HNNXBMFYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)CN(C)C ZINC000665385574 414314846 /nfs/dbraw/zinc/31/48/46/414314846.db2.gz GKNJPLNOTDSPEV-KBPBESRZSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000665389969 414318043 /nfs/dbraw/zinc/31/80/43/414318043.db2.gz SZLQXWZKBLPLNL-GOEBONIOSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC[C@H](CO)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655791929 414437291 /nfs/dbraw/zinc/43/72/91/414437291.db2.gz HJXRUPZTDJOMJI-QGZVFWFLSA-N 0 3 299.418 2.906 20 30 CFEDHN C=CCCCCCNCc1cn(C(C)(C)C)nn1 ZINC000655826207 414462996 /nfs/dbraw/zinc/46/29/96/414462996.db2.gz SMYPLWBMRUBHJD-UHFFFAOYSA-N 0 3 250.390 2.869 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccccc1C ZINC000662082365 414400700 /nfs/dbraw/zinc/40/07/00/414400700.db2.gz UDXPDYCSOYHCHN-CALCHBBNSA-N 0 3 284.403 2.794 20 30 CFEDHN C=CCCCCCN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC000659260495 414482575 /nfs/dbraw/zinc/48/25/75/414482575.db2.gz KTPWWIZTIRFKIR-UHFFFAOYSA-N 0 3 264.413 2.853 20 30 CFEDHN C=CCCCCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000659330379 414501258 /nfs/dbraw/zinc/50/12/58/414501258.db2.gz RHBWWEWNFCVSKD-UHFFFAOYSA-N 0 3 250.386 2.511 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000659521481 414529603 /nfs/dbraw/zinc/52/96/03/414529603.db2.gz YPWQGPLJKFJWPN-HOCLYGCPSA-N 0 3 287.407 2.684 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000659858228 414591374 /nfs/dbraw/zinc/59/13/74/414591374.db2.gz VXVJVXNCIFTLCN-MSOLQXFVSA-N 0 3 289.419 2.769 20 30 CFEDHN C=CCCCCCNC(=O)c1cccc2c1CNC2 ZINC000662584189 414568291 /nfs/dbraw/zinc/56/82/91/414568291.db2.gz LGXIIKOTIYENTJ-UHFFFAOYSA-N 0 3 258.365 2.766 20 30 CFEDHN C=CCCC(C)(C)NC(=O)c1cccc2c1CCNC2 ZINC000662952729 414637240 /nfs/dbraw/zinc/63/72/40/414637240.db2.gz FWFAIXZPXGFQCF-UHFFFAOYSA-N 0 3 272.392 2.807 20 30 CFEDHN CC1CCN(CCNc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000040444311 174264298 /nfs/dbraw/zinc/26/42/98/174264298.db2.gz UZHNYICGBJTRST-UHFFFAOYSA-N 0 3 288.351 2.610 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1nc2c(cc1C#N)CCC2 ZINC000044348712 175166042 /nfs/dbraw/zinc/16/60/42/175166042.db2.gz FAHNTUPAGBISHY-CYBMUJFWSA-N 0 3 284.407 2.728 20 30 CFEDHN C#CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1 ZINC000045944701 175387324 /nfs/dbraw/zinc/38/73/24/175387324.db2.gz IRJMLHPBCGVMCH-GOSISDBHSA-N 0 3 281.355 2.522 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccccc1 ZINC000066212630 175755740 /nfs/dbraw/zinc/75/57/40/175755740.db2.gz MMDQOFYOGYLMCS-AWEZNQCLSA-N 0 3 258.365 2.538 20 30 CFEDHN N#CCC1(CN[C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000366878396 225157254 /nfs/dbraw/zinc/15/72/54/225157254.db2.gz JMEQPFZINUMEER-CYBMUJFWSA-N 0 3 287.338 2.883 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000334739429 225296169 /nfs/dbraw/zinc/29/61/69/225296169.db2.gz TXEODHLMHSUDEB-SMDDNHRTSA-N 0 3 257.312 2.869 20 30 CFEDHN Cc1ccc(C[C@H](NC(=O)C(C)C#N)c2ccccn2)cc1 ZINC000347123326 226034727 /nfs/dbraw/zinc/03/47/27/226034727.db2.gz NLQJCJWYXPHYNC-PBHICJAKSA-N 0 3 293.370 2.950 20 30 CFEDHN CC(C#N)C(=O)NCCCCOc1ccc(Cl)cc1 ZINC000347036327 226022357 /nfs/dbraw/zinc/02/23/57/226022357.db2.gz LTENBQSBXMRGAR-LLVKDONJSA-N 0 3 280.755 2.775 20 30 CFEDHN N#CC(C(=O)c1cnc2ccc(F)cc2c1)c1ccncn1 ZINC000354466267 227002928 /nfs/dbraw/zinc/00/29/28/227002928.db2.gz MQDZSUGAXQATMJ-CYBMUJFWSA-N 0 3 292.273 2.654 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000336487434 227059862 /nfs/dbraw/zinc/05/98/62/227059862.db2.gz BIVOLRCXTPWDNS-HTRCEHHLSA-N 0 3 254.742 2.665 20 30 CFEDHN C[C@H](C(=O)NCCC1(O)CCC1)N1CCCCCC1 ZINC000329106604 227299673 /nfs/dbraw/zinc/29/96/73/227299673.db2.gz DLJBLVXPOWZWLK-CYBMUJFWSA-N 0 3 268.401 2.513 20 30 CFEDHN C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329967351 228001211 /nfs/dbraw/zinc/00/12/11/228001211.db2.gz WDJPDSZWLJMCHW-JTQLQIEISA-N 0 3 297.424 2.664 20 30 CFEDHN C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329967351 228001214 /nfs/dbraw/zinc/00/12/14/228001214.db2.gz WDJPDSZWLJMCHW-JTQLQIEISA-N 0 3 297.424 2.664 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NCC#Cc2ccccc2)c1 ZINC000355820610 228008473 /nfs/dbraw/zinc/00/84/73/228008473.db2.gz YIKAMGQVPQPZKJ-UHFFFAOYSA-N 0 3 292.382 2.530 20 30 CFEDHN CCc1onc(C)c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330101514 228039752 /nfs/dbraw/zinc/03/97/52/228039752.db2.gz IBYQSANFFMBLRG-JTQLQIEISA-N 0 3 277.368 2.500 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330189564 228060694 /nfs/dbraw/zinc/06/06/94/228060694.db2.gz LWNMCUBXTKKDFB-MGPQQGTHSA-N 0 3 290.411 2.528 20 30 CFEDHN C[C@@H]1CC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@@H](C)C1 ZINC000330202905 228064449 /nfs/dbraw/zinc/06/44/49/228064449.db2.gz ZYNGFMKKCOLGIJ-RQJABVFESA-N 0 3 290.411 2.526 20 30 CFEDHN C[C@@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)[C@@H](C)C1 ZINC000330202905 228064452 /nfs/dbraw/zinc/06/44/52/228064452.db2.gz ZYNGFMKKCOLGIJ-RQJABVFESA-N 0 3 290.411 2.526 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000330237730 228075964 /nfs/dbraw/zinc/07/59/64/228075964.db2.gz UWICAWSMHYBSHE-XZJROXQQSA-N 0 3 299.374 2.692 20 30 CFEDHN CN(C(=O)C[C@H](CC#N)c1ccccc1)C1CCN(C)CC1 ZINC000353344138 228088223 /nfs/dbraw/zinc/08/82/23/228088223.db2.gz BQHJCNLIKWEVFV-INIZCTEOSA-N 0 3 299.418 2.627 20 30 CFEDHN O=C(NC[C@@H](CO)C1CC1)[C@H]1CCCCN1C1CCCC1 ZINC000330317369 228139684 /nfs/dbraw/zinc/13/96/84/228139684.db2.gz QJHCWRAMGCACAK-GOEBONIOSA-N 0 3 294.439 2.759 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333642084 228207894 /nfs/dbraw/zinc/20/78/94/228207894.db2.gz XMDAMAAPSQPHKG-ZOWXZIJZSA-N 0 3 269.348 2.742 20 30 CFEDHN CC[C@H](CC#N)N[C@@H](CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716238318 782033285 /nfs/dbraw/zinc/03/32/85/782033285.db2.gz XEZXQRBCFLAAST-KGLIPLIRSA-N 0 3 295.427 2.914 20 30 CFEDHN CC[C@@H](N[C@@H](CC)CC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716238319 782033919 /nfs/dbraw/zinc/03/39/19/782033919.db2.gz XEZXQRBCFLAAST-UONOGXRCSA-N 0 3 295.427 2.914 20 30 CFEDHN C=CCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187167389 260028465 /nfs/dbraw/zinc/02/84/65/260028465.db2.gz JDYQVZCUQLVBKX-BBRMVZONSA-N 0 3 260.381 2.760 20 30 CFEDHN CC#CCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187274533 260030203 /nfs/dbraw/zinc/03/02/03/260030203.db2.gz VGSNDZDOEGQRRA-MAUKXSAKSA-N 0 3 286.419 2.988 20 30 CFEDHN CC[C@H]1C[C@@H](CN(CCC#N)CC2CC2)CCO1 ZINC000356993592 260122364 /nfs/dbraw/zinc/12/23/64/260122364.db2.gz NYGCNMWRFUOVIX-GJZGRUSLSA-N 0 3 250.386 2.817 20 30 CFEDHN CCCN(CC#N)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363374862 260145718 /nfs/dbraw/zinc/14/57/18/260145718.db2.gz INSWMKAUSOGKQH-KRWDZBQOSA-N 0 3 299.418 2.661 20 30 CFEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCC[C@H](C)C1 ZINC000408020905 260172320 /nfs/dbraw/zinc/17/23/20/260172320.db2.gz NVXMHHJZANSNNH-LSDHHAIUSA-N 0 3 291.439 2.697 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000079555274 260176474 /nfs/dbraw/zinc/17/64/74/260176474.db2.gz PVPVGLVOAQYDAO-GOEBONIOSA-N 0 3 299.418 2.705 20 30 CFEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000086036548 260206430 /nfs/dbraw/zinc/20/64/30/260206430.db2.gz BHYPTIOTDKWSEG-CRYBEJKASA-N 0 3 270.376 2.767 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000408089208 260224446 /nfs/dbraw/zinc/22/44/46/260224446.db2.gz ISTQFGPZHQBECD-ZIAGYGMSSA-N 0 3 277.412 2.592 20 30 CFEDHN C#CCCN1CCC(Nc2ccccc2OC)CC1 ZINC000363460425 260262851 /nfs/dbraw/zinc/26/28/51/260262851.db2.gz CQTKCLCUYFMHBP-UHFFFAOYSA-N 0 3 258.365 2.595 20 30 CFEDHN C=C(CC)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313505561 260299474 /nfs/dbraw/zinc/29/94/74/260299474.db2.gz PBNNJMGQFVJWLB-UHFFFAOYSA-N 0 3 250.298 2.659 20 30 CFEDHN N#CCCN(CCCCCn1cccn1)CC1CC1 ZINC000081044730 260329661 /nfs/dbraw/zinc/32/96/61/260329661.db2.gz VDKZPPVNVAQIEU-UHFFFAOYSA-N 0 3 260.385 2.679 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090450940 260359429 /nfs/dbraw/zinc/35/94/29/260359429.db2.gz LSYQPLSQMLUGJW-GFCCVEGCSA-N 0 3 264.325 2.838 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000520955950 260702093 /nfs/dbraw/zinc/70/20/93/260702093.db2.gz ZDOBZQRMGUHZOK-UPJWGTAASA-N 0 3 290.798 2.596 20 30 CFEDHN C=CC1CCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000158088090 260876179 /nfs/dbraw/zinc/87/61/79/260876179.db2.gz RWPIXRPKFSSCED-UHFFFAOYSA-N 0 3 286.375 2.844 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](COC)C1CC1 ZINC000161533838 261088223 /nfs/dbraw/zinc/08/82/23/261088223.db2.gz NYCOEVYAMPVCPD-OAHLLOKOSA-N 0 3 261.365 2.766 20 30 CFEDHN C=CCN(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000154788891 261095328 /nfs/dbraw/zinc/09/53/28/261095328.db2.gz CIOGRAMILJDJAG-UHFFFAOYSA-N 0 3 274.364 2.996 20 30 CFEDHN N#CCCCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000102398953 261233028 /nfs/dbraw/zinc/23/30/28/261233028.db2.gz RDPFRHUWQYBSNX-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000249502811 261251880 /nfs/dbraw/zinc/25/18/80/261251880.db2.gz CLZSQSGCCOZGCW-SOUVJXGZSA-N 0 3 266.429 2.777 20 30 CFEDHN CC(C)(C#N)CCC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000363881770 262001810 /nfs/dbraw/zinc/00/18/10/262001810.db2.gz KLKHFRMEYBFHBC-AWEZNQCLSA-N 0 3 283.379 2.814 20 30 CFEDHN Cc1nccn1-c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cn1 ZINC000185712314 262067932 /nfs/dbraw/zinc/06/79/32/262067932.db2.gz MUOPLSPKCHWHPX-HOCLYGCPSA-N 0 3 295.390 2.748 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(c2)OCO3)C1 ZINC000185710090 262068123 /nfs/dbraw/zinc/06/81/23/262068123.db2.gz ADZSRDSRMZTUHL-WCQYABFASA-N 0 3 258.321 2.587 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185757446 262069049 /nfs/dbraw/zinc/06/90/49/262069049.db2.gz PGMPVDDVYDVMAQ-BFHYXJOUSA-N 0 3 261.369 2.554 20 30 CFEDHN CCNC(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185779001 262070003 /nfs/dbraw/zinc/07/00/03/262070003.db2.gz PMAFSPIQVZCTOK-ZBFHGGJFSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CCN1CCC(NC(=O)O[C@H](C)CC(C)C)CC1 ZINC000497221965 262112043 /nfs/dbraw/zinc/11/20/43/262112043.db2.gz XFFNRIFTKYOQMR-CYBMUJFWSA-N 0 3 268.401 2.798 20 30 CFEDHN Cc1cc(C)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354464627 262173543 /nfs/dbraw/zinc/17/35/43/262173543.db2.gz IUYDDDYFTRJWGZ-CYBMUJFWSA-N 0 3 251.289 2.584 20 30 CFEDHN C=C(C)CN[C@H](CO)c1cccc(Br)c1 ZINC000183912357 262196443 /nfs/dbraw/zinc/19/64/43/262196443.db2.gz NRGOIHZQUHDJFF-GFCCVEGCSA-N 0 3 270.170 2.648 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000364880371 262263918 /nfs/dbraw/zinc/26/39/18/262263918.db2.gz KWKQWZQVURPEGF-CQSZACIVSA-N 0 3 290.382 2.697 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000119371897 262274196 /nfs/dbraw/zinc/27/41/96/262274196.db2.gz PDQBTLSBIXOMHN-RISCZKNCSA-N 0 3 278.783 2.519 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(F)cc1C(F)(F)F ZINC000184279025 262276365 /nfs/dbraw/zinc/27/63/65/262276365.db2.gz XLCPHEGJVUMMIH-LLVKDONJSA-N 0 3 277.261 2.871 20 30 CFEDHN C=CCN(CCC[C@H](C)O)Cc1cccc(C#N)c1 ZINC000354871609 262317449 /nfs/dbraw/zinc/31/74/49/262317449.db2.gz NHRXHRLUSKSWCT-AWEZNQCLSA-N 0 3 258.365 2.707 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000186717956 262320518 /nfs/dbraw/zinc/32/05/18/262320518.db2.gz NTAGRJFRYPPVJF-JQWIXIFHSA-N 0 3 271.307 2.876 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C1)CCC(C)CC2 ZINC000365257885 262355453 /nfs/dbraw/zinc/35/54/53/262355453.db2.gz AXDWTXPKEXQVPI-CKDBGZEDSA-N 0 3 291.439 2.649 20 30 CFEDHN CCCN(CCN[C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496831562 262357222 /nfs/dbraw/zinc/35/72/22/262357222.db2.gz XDTLEQNHGOSVLU-KBPBESRZSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCCCN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000117884097 262359760 /nfs/dbraw/zinc/35/97/60/262359760.db2.gz PIBPPGLZOWDZBG-UHFFFAOYSA-N 0 3 277.364 2.830 20 30 CFEDHN C#CCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000365383530 262363100 /nfs/dbraw/zinc/36/31/00/262363100.db2.gz GZLCGNHMHQCQAJ-AEFFLSMTSA-N 0 3 284.403 2.524 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000111843230 262377208 /nfs/dbraw/zinc/37/72/08/262377208.db2.gz FCMUYVWVEBNQQF-HNNXBMFYSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccccc3C)C[C@@H]2C)C1=O ZINC000337194391 262431390 /nfs/dbraw/zinc/43/13/90/262431390.db2.gz VHKWYUWOQMSSNZ-JZXOWHBKSA-N 0 3 298.430 2.960 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338327014 262520402 /nfs/dbraw/zinc/52/04/02/262520402.db2.gz DOMZDZNCCIHFBF-GOSISDBHSA-N 0 3 286.419 2.952 20 30 CFEDHN N#CC1(CCN2CCSC[C@@H]2CCO)CCCCC1 ZINC000411316141 262689117 /nfs/dbraw/zinc/68/91/17/262689117.db2.gz KSLFPJXYPCMSGH-AWEZNQCLSA-N 0 3 282.453 2.650 20 30 CFEDHN Cc1cccc([C@@H]2CCN([C@@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000273068062 263012062 /nfs/dbraw/zinc/01/20/62/263012062.db2.gz ITIJNLMYFQTQOX-DOTOQJQBSA-N 0 3 299.418 2.545 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437352193 263014680 /nfs/dbraw/zinc/01/46/80/263014680.db2.gz BZWPCMBUZUNJBH-QOSJWCAFSA-N 0 3 266.703 2.611 20 30 CFEDHN C[C@H](NCCCC#N)c1cnn(Cc2ccccc2)c1 ZINC000273311694 263015119 /nfs/dbraw/zinc/01/51/19/263015119.db2.gz WWGJOZLNVQLVAI-AWEZNQCLSA-N 0 3 268.364 2.886 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cccc(OCC#N)c1 ZINC000274694265 263029272 /nfs/dbraw/zinc/02/92/72/263029272.db2.gz KYVCNISETZLCIJ-GFCCVEGCSA-N 0 3 289.379 2.694 20 30 CFEDHN Cc1ccccc1C(=O)NC1CCN([C@H](C)CCC#N)CC1 ZINC000276308877 263036046 /nfs/dbraw/zinc/03/60/46/263036046.db2.gz LORBTPNDCWPODW-OAHLLOKOSA-N 0 3 299.418 2.882 20 30 CFEDHN C[C@H]1CSCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000276967412 263038751 /nfs/dbraw/zinc/03/87/51/263038751.db2.gz XTAKVEKNRGXIBD-CYBMUJFWSA-N 0 3 276.405 2.774 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000277012655 263039325 /nfs/dbraw/zinc/03/93/25/263039325.db2.gz YMGHBMXSIYZCNE-CYBMUJFWSA-N 0 3 276.405 2.916 20 30 CFEDHN CCN(CCCCC(C)(C)C#N)Cc1cnn(C)c1 ZINC000277644480 263042675 /nfs/dbraw/zinc/04/26/75/263042675.db2.gz HTSBMZIDZWJSGT-UHFFFAOYSA-N 0 3 262.401 2.962 20 30 CFEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000278325873 263046933 /nfs/dbraw/zinc/04/69/33/263046933.db2.gz GPUMFTWDWFHDGF-QSPRXWTASA-N 0 3 285.391 2.974 20 30 CFEDHN CC(C)(C#N)CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000278435346 263047919 /nfs/dbraw/zinc/04/79/19/263047919.db2.gz ZXNWJOXXHUCRTR-MRXNPFEDSA-N 0 3 299.418 2.707 20 30 CFEDHN N#Cc1ccccc1N1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278757718 263050767 /nfs/dbraw/zinc/05/07/67/263050767.db2.gz XPTKHPALLGMNRE-NVXWUHKLSA-N 0 3 294.402 2.763 20 30 CFEDHN Cc1ccccc1CN1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278773745 263050822 /nfs/dbraw/zinc/05/08/22/263050822.db2.gz YYHSVINTPUCRNK-WMZOPIPTSA-N 0 3 283.419 2.805 20 30 CFEDHN CCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279161515 263053370 /nfs/dbraw/zinc/05/33/70/263053370.db2.gz BWFOKHQJCVZJHD-HNNXBMFYSA-N 0 3 269.348 2.547 20 30 CFEDHN CC[C@H](C)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279430614 263055433 /nfs/dbraw/zinc/05/54/33/263055433.db2.gz XRCHXKVUCUIKMD-WOSRLPQWSA-N 0 3 283.375 2.791 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279683510 263056734 /nfs/dbraw/zinc/05/67/34/263056734.db2.gz FBZMFGURNZQMDO-CPUCHLNUSA-N 0 3 295.386 2.745 20 30 CFEDHN CC(C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279717536 263057091 /nfs/dbraw/zinc/05/70/91/263057091.db2.gz LYEFURVLEIEMGM-MRXNPFEDSA-N 0 3 283.375 2.793 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCC3)C2)cc1 ZINC000279844300 263057634 /nfs/dbraw/zinc/05/76/34/263057634.db2.gz ARXIUSITPVLFNE-MRXNPFEDSA-N 0 3 293.370 2.643 20 30 CFEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000280060004 263058754 /nfs/dbraw/zinc/05/87/54/263058754.db2.gz MOWFQIKSMAXQAI-HNNXBMFYSA-N 0 3 281.359 2.547 20 30 CFEDHN C[C@@H]1CCCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174828 263059429 /nfs/dbraw/zinc/05/94/29/263059429.db2.gz XTEBJVXJRIOXSC-RHSMWYFYSA-N 0 3 295.386 2.889 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCC3(CC3)C2)cc1 ZINC000280191588 263059541 /nfs/dbraw/zinc/05/95/41/263059541.db2.gz DUQBLFRRQRBHFY-MRXNPFEDSA-N 0 3 293.370 2.643 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000340048332 263059771 /nfs/dbraw/zinc/05/97/71/263059771.db2.gz SIWLPGREVXZLKZ-OKILXGFUSA-N 0 3 266.429 2.968 20 30 CFEDHN Cn1c2ccccc2nc1CNCC1CCC(C#N)CC1 ZINC000281683667 263071119 /nfs/dbraw/zinc/07/11/19/263071119.db2.gz MMXRPCBJQPZJGU-UHFFFAOYSA-N 0 3 282.391 2.993 20 30 CFEDHN Cc1nccnc1[C@@H](C)NCC1CCC(C#N)CC1 ZINC000282141840 263074647 /nfs/dbraw/zinc/07/46/47/263074647.db2.gz CELDROACFXRTGC-IYXRBSQSSA-N 0 3 258.369 2.766 20 30 CFEDHN CN(C)C(=O)[C@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000282542685 263077261 /nfs/dbraw/zinc/07/72/61/263077261.db2.gz XVAVVJVJDDNJCC-VMBOVVBDSA-N 0 3 299.418 2.735 20 30 CFEDHN N#CCCCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000282614007 263077745 /nfs/dbraw/zinc/07/77/45/263077745.db2.gz XHXYJRXCKDYISN-QGZVFWFLSA-N 0 3 295.386 2.873 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000104698986 263078058 /nfs/dbraw/zinc/07/80/58/263078058.db2.gz NAVNBBIBMKIIJB-BBRMVZONSA-N 0 3 272.392 2.808 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000340150604 263078638 /nfs/dbraw/zinc/07/86/38/263078638.db2.gz ZEASDJLSBUOCIW-JKSUJKDBSA-N 0 3 286.419 2.899 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340160454 263081653 /nfs/dbraw/zinc/08/16/53/263081653.db2.gz CQSBBOUMCGPGKO-GJZGRUSLSA-N 0 3 299.418 2.745 20 30 CFEDHN CN1CCN([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000284323168 263086377 /nfs/dbraw/zinc/08/63/77/263086377.db2.gz PVCZPLPFQQJVIW-HIFRSBDPSA-N 0 3 255.365 2.631 20 30 CFEDHN C=C[C@H](CC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000340196404 263089932 /nfs/dbraw/zinc/08/99/32/263089932.db2.gz DLQNYEGHTHYNRR-CQSZACIVSA-N 0 3 272.392 2.557 20 30 CFEDHN C#C[C@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000289324145 263108987 /nfs/dbraw/zinc/10/89/87/263108987.db2.gz GAKDYKIQCRDTNY-AWEZNQCLSA-N 0 3 278.359 2.575 20 30 CFEDHN COc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1[O-] ZINC000289373583 263109684 /nfs/dbraw/zinc/10/96/84/263109684.db2.gz BMNRRPFRHRZDBI-WCQYABFASA-N 0 3 260.337 2.573 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000289505848 263110567 /nfs/dbraw/zinc/11/05/67/263110567.db2.gz CRRZYQNOQYNGTA-OAHLLOKOSA-N 0 3 282.391 2.809 20 30 CFEDHN N#CCCCN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290132306 263114738 /nfs/dbraw/zinc/11/47/38/263114738.db2.gz LWDCVVSYJPXONR-MRXNPFEDSA-N 0 3 270.376 2.974 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@](CO)(c2ccccc2)C1 ZINC000291374110 263121854 /nfs/dbraw/zinc/12/18/54/263121854.db2.gz AMUCUEKRTGXWBO-KRWDZBQOSA-N 0 3 272.392 2.562 20 30 CFEDHN CC[C@H]1c2ccsc2CCN1CCOCCC#N ZINC000292689144 263133687 /nfs/dbraw/zinc/13/36/87/263133687.db2.gz AJMUMKYIIWVFOW-ZDUSSCGKSA-N 0 3 264.394 2.988 20 30 CFEDHN Cc1nc(C)c([C@@H](C)N(C)CCOCCC#N)s1 ZINC000293026854 263137334 /nfs/dbraw/zinc/13/73/34/263137334.db2.gz IQWNSTSJTVNARI-LLVKDONJSA-N 0 3 267.398 2.683 20 30 CFEDHN CC(C)N(CCOCCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000293379669 263139672 /nfs/dbraw/zinc/13/96/72/263139672.db2.gz GEOWZATVIJVPRR-UHFFFAOYSA-N 0 3 291.351 2.735 20 30 CFEDHN N#CCCOCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000293443151 263140498 /nfs/dbraw/zinc/14/04/98/263140498.db2.gz KBFICKGGQGXOAB-KRWDZBQOSA-N 0 3 288.391 2.598 20 30 CFEDHN N#CCCOCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000293443152 263140517 /nfs/dbraw/zinc/14/05/17/263140517.db2.gz KBFICKGGQGXOAB-QGZVFWFLSA-N 0 3 288.391 2.598 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)Cc2ccccc2O1 ZINC000293509741 263142447 /nfs/dbraw/zinc/14/24/47/263142447.db2.gz HYWYTYSDLKVOFR-IPYPFGDCSA-N 0 3 256.349 2.962 20 30 CFEDHN CN(CCOCCC#N)Cc1ccc(OC(F)F)cc1 ZINC000293676837 263146685 /nfs/dbraw/zinc/14/66/85/263146685.db2.gz ZYFYIGZKBOKCTL-UHFFFAOYSA-N 0 3 284.306 2.650 20 30 CFEDHN Cc1cc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n[nH]1 ZINC000293805478 263150053 /nfs/dbraw/zinc/15/00/53/263150053.db2.gz NTZXUPMADVMCIL-OCCSQVGLSA-N 0 3 258.369 2.590 20 30 CFEDHN Cc1cc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)[nH]n1 ZINC000293805478 263150055 /nfs/dbraw/zinc/15/00/55/263150055.db2.gz NTZXUPMADVMCIL-OCCSQVGLSA-N 0 3 258.369 2.590 20 30 CFEDHN Cc1nc2c(s1)[C@H](N(C)CCOCCC#N)CCC2 ZINC000293902263 263151971 /nfs/dbraw/zinc/15/19/71/263151971.db2.gz WBOAFLSELZHQPB-CYBMUJFWSA-N 0 3 279.409 2.691 20 30 CFEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2NCc2ccco2)O1 ZINC000366701239 263164102 /nfs/dbraw/zinc/16/41/02/263164102.db2.gz YMQTXPKHSXOWNX-REBRKWNGSA-N 0 3 260.337 2.609 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000294920725 263169502 /nfs/dbraw/zinc/16/95/02/263169502.db2.gz AUIIDSWIDTWYRQ-ONGXEEELSA-N 0 3 265.338 2.828 20 30 CFEDHN N#CCSCCCN1CCC(F)(c2ccccn2)CC1 ZINC000295364643 263176830 /nfs/dbraw/zinc/17/68/30/263176830.db2.gz OTUSTHAGIZHRIL-UHFFFAOYSA-N 0 3 293.411 2.989 20 30 CFEDHN C[C@H](N[C@@H](C)c1cccc(C2CC2)c1)C(=O)N(C)CCC#N ZINC000295558450 263179548 /nfs/dbraw/zinc/17/95/48/263179548.db2.gz XSAXAPZMBUQNOG-KBPBESRZSA-N 0 3 299.418 2.975 20 30 CFEDHN C[C@H]1C[C@@H](NCC2CCC(C#N)CC2)c2nccn21 ZINC000296609575 263193969 /nfs/dbraw/zinc/19/39/69/263193969.db2.gz YIDNDEFEEAUOGP-GFJIZPEISA-N 0 3 258.369 2.808 20 30 CFEDHN C[C@@H](CCC#N)N(C)Cc1ccccc1N1CCOCC1 ZINC000297906397 263211842 /nfs/dbraw/zinc/21/18/42/263211842.db2.gz PFYJCLLQTPBPPJ-HNNXBMFYSA-N 0 3 287.407 2.647 20 30 CFEDHN C[C@H](CCC#N)N1CCC(CO)(c2ccccc2)CC1 ZINC000298367993 263218725 /nfs/dbraw/zinc/21/87/25/263218725.db2.gz NMZPAPKUHFYYNE-OAHLLOKOSA-N 0 3 272.392 2.705 20 30 CFEDHN C[C@H](CCC#N)N[C@H](CO)c1ccc(Br)cc1 ZINC000298559513 263221852 /nfs/dbraw/zinc/22/18/52/263221852.db2.gz ZULAGZDFZWGGJG-ZWNOBZJWSA-N 0 3 297.196 2.764 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000299341050 263240286 /nfs/dbraw/zinc/24/02/86/263240286.db2.gz QIDXFVCCQJVTPY-KGLIPLIRSA-N 0 3 283.379 2.601 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000340662476 263256798 /nfs/dbraw/zinc/25/67/98/263256798.db2.gz PXDWATYNJJXWJM-QWHCGFSZSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCC[C@H](CCC)NCc1cc(C(N)=O)co1 ZINC000187709721 263266898 /nfs/dbraw/zinc/26/68/98/263266898.db2.gz RYOPCBJQDVKDMD-LBPRGKRZSA-N 0 3 250.342 2.603 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C(C)C)C1CCC1 ZINC000119759106 263276258 /nfs/dbraw/zinc/27/62/58/263276258.db2.gz NZLPPMDTBCWVNS-UHFFFAOYSA-N 0 3 252.402 2.674 20 30 CFEDHN CC#CCN(Cc1ccccc1)CC1CCOCC1 ZINC000119685768 263276506 /nfs/dbraw/zinc/27/65/06/263276506.db2.gz COZAFJYPUTWKSL-UHFFFAOYSA-N 0 3 257.377 2.939 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(C)CCOC2)cc1OC ZINC000120202760 263283859 /nfs/dbraw/zinc/28/38/59/263283859.db2.gz INFBBJNGVJSCPV-MRXNPFEDSA-N 0 3 277.364 2.529 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000120600276 263287588 /nfs/dbraw/zinc/28/75/88/263287588.db2.gz HGXUAJVVTJYXOH-MJBXVCDLSA-N 0 3 270.376 2.868 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1ncccn1)C(C)C ZINC000120619598 263287724 /nfs/dbraw/zinc/28/77/24/263287724.db2.gz GTUUEFQPMAZNQY-AWEZNQCLSA-N 0 3 260.385 2.587 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1cccc(C)c1 ZINC000121118230 263289554 /nfs/dbraw/zinc/28/95/54/263289554.db2.gz DTNULQNZPAVESU-UHFFFAOYSA-N 0 3 260.381 2.509 20 30 CFEDHN C=CCN(C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000121387286 263294984 /nfs/dbraw/zinc/29/49/84/263294984.db2.gz CXSFCHKOZOYRHP-SWLSCSKDSA-N 0 3 283.799 2.896 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(Cl)c(F)c1 ZINC000341277501 263329968 /nfs/dbraw/zinc/32/99/68/263329968.db2.gz BEEXJPKDJMGGRR-LLVKDONJSA-N 0 3 257.736 2.753 20 30 CFEDHN C=C(CC)CN[C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000341447582 263335806 /nfs/dbraw/zinc/33/58/06/263335806.db2.gz DDVBHJZLMUJYCQ-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000366746370 263347535 /nfs/dbraw/zinc/34/75/35/263347535.db2.gz PXXUTSMAUGWKMP-GOEBONIOSA-N 0 3 275.779 2.802 20 30 CFEDHN C=C1CCN(CCCOc2ccc3c(c2)OCO3)CC1 ZINC000341997528 263373480 /nfs/dbraw/zinc/37/34/80/263373480.db2.gz UCUXFKNMAVWIKM-UHFFFAOYSA-N 0 3 275.348 2.836 20 30 CFEDHN C[C@@H](CNC(=O)Nc1nc2c(s1)C[C@H](C)CC2)N(C)C ZINC000330462959 263942625 /nfs/dbraw/zinc/94/26/25/263942625.db2.gz YXXBBICRAWTPNO-ZJUUUORDSA-N 0 3 296.440 2.544 20 30 CFEDHN CCc1onc(C)c1C(=O)NCCN1CCCC[C@H]1C ZINC000330791835 264039528 /nfs/dbraw/zinc/03/95/28/264039528.db2.gz DBCSXHMMEKFYGT-LLVKDONJSA-N 0 3 279.384 2.724 20 30 CFEDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000330887965 264063662 /nfs/dbraw/zinc/06/36/62/264063662.db2.gz AJYBRQOLINDZHM-CMPLNLGQSA-N 0 3 291.351 2.691 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)CCN1C ZINC000331073204 264114079 /nfs/dbraw/zinc/11/40/79/264114079.db2.gz UFPRXEYNQOEDAO-HYVNUMGLSA-N 0 3 299.418 2.673 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425355073 264127960 /nfs/dbraw/zinc/12/79/60/264127960.db2.gz TXHORUUPZLYHPX-INIZCTEOSA-N 0 3 298.390 2.680 20 30 CFEDHN CCN1CCC(NC(=O)Nc2c(F)cccc2OC)CC1 ZINC000331152191 264139604 /nfs/dbraw/zinc/13/96/04/264139604.db2.gz XNWIZSNXIBXHTL-UHFFFAOYSA-N 0 3 295.358 2.645 20 30 CFEDHN CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000331229873 264152085 /nfs/dbraw/zinc/15/20/85/264152085.db2.gz GVDYMRACSAUTOY-LBPRGKRZSA-N 0 3 262.353 2.571 20 30 CFEDHN CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000331229873 264152088 /nfs/dbraw/zinc/15/20/88/264152088.db2.gz GVDYMRACSAUTOY-LBPRGKRZSA-N 0 3 262.353 2.571 20 30 CFEDHN Cc1cc(=O)[nH]cc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000331278373 264171235 /nfs/dbraw/zinc/17/12/35/264171235.db2.gz JUNUIWOVYWRICV-UHFFFAOYSA-N 0 3 291.395 2.522 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000128082244 264273983 /nfs/dbraw/zinc/27/39/83/264273983.db2.gz OTZWFFQPKAZZTG-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](OC)C1CC1 ZINC000425395321 264275590 /nfs/dbraw/zinc/27/55/90/264275590.db2.gz HPGPHDFAVBTEMK-KRWDZBQOSA-N 0 3 270.376 2.971 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CC=CC1)C(C)C ZINC000077000666 264350817 /nfs/dbraw/zinc/35/08/17/264350817.db2.gz PZSOUCXMNDLBRL-INIZCTEOSA-N 0 3 276.424 2.767 20 30 CFEDHN C=CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452777049 269987973 /nfs/dbraw/zinc/98/79/73/269987973.db2.gz TZVWKVXYDXZTPH-HNNXBMFYSA-N 0 3 281.359 2.569 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000345754257 265096893 /nfs/dbraw/zinc/09/68/93/265096893.db2.gz DRIULUYAWCECTH-LLVKDONJSA-N 0 3 260.312 2.523 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CC(C)=C[C@@H](C)C2)C1=O ZINC000356320140 266095157 /nfs/dbraw/zinc/09/51/57/266095157.db2.gz NZIMUODLGSDISY-BMFZPTHFSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000356987597 266225762 /nfs/dbraw/zinc/22/57/62/266225762.db2.gz RAXUGLSGLXZBDM-UHFFFAOYSA-N 0 3 264.413 2.747 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000357025031 266235152 /nfs/dbraw/zinc/23/51/52/266235152.db2.gz OFVWDWJJBFNUSG-HNNXBMFYSA-N 0 3 276.424 2.699 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000357273437 266269330 /nfs/dbraw/zinc/26/93/30/266269330.db2.gz MXJACTRQMZSTEK-KCQAQPDRSA-N 0 3 275.396 2.552 20 30 CFEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@@H]1C ZINC000357561610 266325449 /nfs/dbraw/zinc/32/54/49/266325449.db2.gz WUKQSTZSRNKUTI-NFAWXSAZSA-N 0 3 256.349 2.626 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000357792899 266363415 /nfs/dbraw/zinc/36/34/15/266363415.db2.gz HSZDLWQUZMETRI-CYBMUJFWSA-N 0 3 268.316 2.968 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357884482 266381907 /nfs/dbraw/zinc/38/19/07/266381907.db2.gz VFFHDYPHTSWPCY-KBPBESRZSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115254311 267093890 /nfs/dbraw/zinc/09/38/90/267093890.db2.gz JNULPUPNWGKPHA-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C#CC(C)(C)N(C)Cc1cccc(-n2cccn2)c1 ZINC000367565585 267100709 /nfs/dbraw/zinc/10/07/09/267100709.db2.gz MOQRPIKIBKXYII-UHFFFAOYSA-N 0 3 253.349 2.716 20 30 CFEDHN C#CCCN[C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000367636325 267105636 /nfs/dbraw/zinc/10/56/36/267105636.db2.gz UGVZWOQJAFNPRM-CYBMUJFWSA-N 0 3 271.339 2.994 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCOCC[C@H]2C)cc1 ZINC000367707538 267111869 /nfs/dbraw/zinc/11/18/69/267111869.db2.gz PNPJIYLPQFIDDW-ZIAGYGMSSA-N 0 3 274.364 2.588 20 30 CFEDHN CC#CCCN1CCC(Cc2occc2C(=O)OC)CC1 ZINC000368138301 267147363 /nfs/dbraw/zinc/14/73/63/267147363.db2.gz FXQNZNAGOWTHRC-UHFFFAOYSA-N 0 3 289.375 2.734 20 30 CFEDHN CCO[C@@]1(C)C[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000527980749 267154821 /nfs/dbraw/zinc/15/48/21/267154821.db2.gz SCQCXHMXIVTSHD-OAGGEKHMSA-N 0 3 256.349 2.703 20 30 CFEDHN C=C(C)CN1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 ZINC000368858939 267209523 /nfs/dbraw/zinc/20/95/23/267209523.db2.gz KHYCXXQCMXDLHA-LBPRGKRZSA-N 0 3 279.409 2.678 20 30 CFEDHN C[C@H]1OCC[C@@]12CN(CC(C)(C)CCC#N)C[C@@H](C)O2 ZINC000369290876 267231828 /nfs/dbraw/zinc/23/18/28/267231828.db2.gz SMYSPXBGZWDBNJ-IIAWOOMASA-N 0 3 280.412 2.585 20 30 CFEDHN C[C@H]1OCC[C@]12CN(CC(C)(C)CCC#N)C[C@@H](C)O2 ZINC000369290875 267232338 /nfs/dbraw/zinc/23/23/38/267232338.db2.gz SMYSPXBGZWDBNJ-FMKPAKJESA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369568158 267252236 /nfs/dbraw/zinc/25/22/36/267252236.db2.gz KCHCQOJBRPHPQQ-DOMZBBRYSA-N 0 3 278.421 2.823 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000369568161 267252366 /nfs/dbraw/zinc/25/23/66/267252366.db2.gz KCHCQOJBRPHPQQ-SWLSCSKDSA-N 0 3 278.421 2.823 20 30 CFEDHN CC(C)(CCC#N)CN1CCC(Oc2cnccn2)CC1 ZINC000369693626 267259572 /nfs/dbraw/zinc/25/95/72/267259572.db2.gz OCJXKGLBTSNVOE-UHFFFAOYSA-N 0 3 288.395 2.650 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000120111588 267381917 /nfs/dbraw/zinc/38/19/17/267381917.db2.gz DJDUYARSXPEOOJ-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000370502978 267325137 /nfs/dbraw/zinc/32/51/37/267325137.db2.gz MQHWCQIBOIGHJZ-CQSZACIVSA-N 0 3 288.391 2.699 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000119409691 267334135 /nfs/dbraw/zinc/33/41/35/267334135.db2.gz PWRIJCVRVBGZJS-CYBMUJFWSA-N 0 3 253.349 2.855 20 30 CFEDHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000371057756 267348517 /nfs/dbraw/zinc/34/85/17/267348517.db2.gz XMVMEEQFSNRUPY-GJZGRUSLSA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C)(C#N)CCN1CCCC[C@@H]1Cn1cccn1 ZINC000371208641 267372165 /nfs/dbraw/zinc/37/21/65/267372165.db2.gz PSRVZNYQHZQBOD-CQSZACIVSA-N 0 3 260.385 2.677 20 30 CFEDHN Cc1nc([C@@H]2CCCN(CC(C)(C)CCC#N)C2)no1 ZINC000371381531 267397266 /nfs/dbraw/zinc/39/72/66/267397266.db2.gz WADLXEOXSABKKV-CYBMUJFWSA-N 0 3 276.384 2.887 20 30 CFEDHN CC#CCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120624448 267487093 /nfs/dbraw/zinc/48/70/93/267487093.db2.gz NHILZNJYTCKDRP-UHFFFAOYSA-N 0 3 253.349 2.766 20 30 CFEDHN C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[C@@H]1C ZINC000122867183 267940935 /nfs/dbraw/zinc/94/09/35/267940935.db2.gz JELHQISIPAJWFG-GJZGRUSLSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H]3CCCCC[C@H]32)CC1 ZINC000376192971 267949757 /nfs/dbraw/zinc/94/97/57/267949757.db2.gz BSULWOCZGVUZKS-GDBMZVCRSA-N 0 3 291.439 2.611 20 30 CFEDHN Cc1cc(NC[C@H]2CCN2C2CCCC2)cc(C#N)n1 ZINC000528212217 268012515 /nfs/dbraw/zinc/01/25/15/268012515.db2.gz RXHWAFGFMBJSDJ-MRXNPFEDSA-N 0 3 270.380 2.691 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(C#N)cc2C)nc(C)n1 ZINC000439556217 268020837 /nfs/dbraw/zinc/02/08/37/268020837.db2.gz KCIRTHVICXZNMS-HNNXBMFYSA-N 0 3 290.326 2.764 20 30 CFEDHN C#CCSCCN[C@@H]1CCCOc2cc(OC)ccc21 ZINC000376896170 268028685 /nfs/dbraw/zinc/02/86/85/268028685.db2.gz YWXRYKGMZSEGJM-OAHLLOKOSA-N 0 3 291.416 2.865 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H]2CCN2C2CCCC2)n1 ZINC000528212373 268029438 /nfs/dbraw/zinc/02/94/38/268029438.db2.gz WVTDOOUKXSOXJH-OAHLLOKOSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(C3CC3)CC2)cc1 ZINC000280001920 268084844 /nfs/dbraw/zinc/08/48/44/268084844.db2.gz JIFZQLMEOOYBFX-HNNXBMFYSA-N 0 3 293.370 2.547 20 30 CFEDHN N#Cc1ccc(C2(NCC3=CCCOC3)CCOCC2)cc1 ZINC000527811992 268211538 /nfs/dbraw/zinc/21/15/38/268211538.db2.gz ORUOKDWAOAJJLW-UHFFFAOYSA-N 0 3 298.386 2.500 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN2C2CCCC2)cc1F ZINC000527811916 268233454 /nfs/dbraw/zinc/23/34/54/268233454.db2.gz SNTYEHDUPRRCIG-INIZCTEOSA-N 0 3 287.382 2.804 20 30 CFEDHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458135422 269634603 /nfs/dbraw/zinc/63/46/03/269634603.db2.gz QCRVGOWZXOVQBE-NUJGCVRESA-N 0 3 295.386 2.791 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355461732 274287390 /nfs/dbraw/zinc/28/73/90/274287390.db2.gz XVJMXYKPCVJINJ-CVEARBPZSA-N 0 3 298.434 2.902 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2C[C@H](N3CCCC3)C[C@H]2C)n1 ZINC000286183096 274683433 /nfs/dbraw/zinc/68/34/33/274683433.db2.gz AQJHUBUMDCFUCM-HUUCEWRRSA-N 0 3 284.407 2.633 20 30 CFEDHN OCC[C@H]1CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000348153866 275048040 /nfs/dbraw/zinc/04/80/40/275048040.db2.gz UVIUWUWPABBPHG-GDBMZVCRSA-N 0 3 277.795 2.832 20 30 CFEDHN C#CCCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000270661609 275379387 /nfs/dbraw/zinc/37/93/87/275379387.db2.gz VXJLFPCSKKBTOR-KBPBESRZSA-N 0 3 284.186 2.907 20 30 CFEDHN C#Cc1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000289503895 275387192 /nfs/dbraw/zinc/38/71/92/275387192.db2.gz DSXCEWFIPUIQQZ-UHFFFAOYSA-N 0 3 296.414 2.645 20 30 CFEDHN C=CCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276935133 275747648 /nfs/dbraw/zinc/74/76/48/275747648.db2.gz BFXPZXQTOOZMLK-TZMCWYRMSA-N 0 3 282.746 2.527 20 30 CFEDHN CC1(CN2CCN(c3ccccc3C#N)CC2)CCC1 ZINC000340285797 275894627 /nfs/dbraw/zinc/89/46/27/275894627.db2.gz SNCUEMMYEMRNIR-UHFFFAOYSA-N 0 3 269.392 2.870 20 30 CFEDHN CCN1CCC[C@@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000296458047 276175486 /nfs/dbraw/zinc/17/54/86/276175486.db2.gz JDVDZMHAKYOEBP-OAHLLOKOSA-N 0 3 271.364 2.657 20 30 CFEDHN CCOCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360833918 276325829 /nfs/dbraw/zinc/32/58/29/276325829.db2.gz HWGOOPNWNNCQDP-INIZCTEOSA-N 0 3 258.365 2.952 20 30 CFEDHN C=CCC[C@H](NC[C@H](COC)OC)c1ccco1 ZINC000286311881 276887459 /nfs/dbraw/zinc/88/74/59/276887459.db2.gz XNXOPTXTTGTDEY-OLZOCXBDSA-N 0 3 253.342 2.538 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)CC(C)(C)C2)CC1 ZINC000335990152 276894562 /nfs/dbraw/zinc/89/45/62/276894562.db2.gz LSBKKWXVDAOTIW-CQSZACIVSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000286237871 276907594 /nfs/dbraw/zinc/90/75/94/276907594.db2.gz TXCBWLRHTJACIY-STQMWFEESA-N 0 3 279.380 2.600 20 30 CFEDHN CN1CCC[C@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 ZINC000338747825 277087594 /nfs/dbraw/zinc/08/75/94/277087594.db2.gz VEYOTEVLYNZJKB-HNNXBMFYSA-N 0 3 290.798 2.529 20 30 CFEDHN CC(C)(C#N)CNC1CCC2(CCOCC2)CC1 ZINC000335144547 277121201 /nfs/dbraw/zinc/12/12/01/277121201.db2.gz OEQBIEQHKKNILR-UHFFFAOYSA-N 0 3 250.386 2.865 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000334236069 277146829 /nfs/dbraw/zinc/14/68/29/277146829.db2.gz KWLLQVRONUJMHY-IAQYHMDHSA-N 0 3 275.783 2.742 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(C#N)cs1 ZINC000186263689 278188523 /nfs/dbraw/zinc/18/85/23/278188523.db2.gz MNUMMRDHDYQWNR-GFCCVEGCSA-N 0 3 291.420 2.614 20 30 CFEDHN CC1(C)CCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419207039 278246331 /nfs/dbraw/zinc/24/63/31/278246331.db2.gz LUYRGWBHYMUBDI-GJZGRUSLSA-N 0 3 285.391 2.501 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000355509369 279508244 /nfs/dbraw/zinc/50/82/44/279508244.db2.gz AUPHJEDYBLAQKZ-GRDNDAEWSA-N 0 3 297.402 2.589 20 30 CFEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H](C)N1C ZINC000334588413 288156175 /nfs/dbraw/zinc/15/61/75/288156175.db2.gz WSWORBMADOUIJN-GASCZTMLSA-N 0 3 263.429 2.875 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC000339970351 280312792 /nfs/dbraw/zinc/31/27/92/280312792.db2.gz RMAPDGBFCNUOKD-INIZCTEOSA-N 0 3 298.365 2.538 20 30 CFEDHN CC[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000278710354 280978518 /nfs/dbraw/zinc/97/85/18/280978518.db2.gz LNWKJGAODUEOOO-SOUVJXGZSA-N 0 3 258.365 2.758 20 30 CFEDHN COCCO[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000248906674 281039888 /nfs/dbraw/zinc/03/98/88/281039888.db2.gz IEESVTAEXDTFRJ-WMLDXEAASA-N 0 3 288.391 2.747 20 30 CFEDHN CC(C)C[C@@H](CNC(=O)/C=C\c1cccc(C#N)c1)N(C)C ZINC000255086577 281087182 /nfs/dbraw/zinc/08/71/82/281087182.db2.gz HWWQXGZPZPBIJJ-JJEJIETFSA-N 0 3 299.418 2.664 20 30 CFEDHN CC[C@]1(C)CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000344220305 281317485 /nfs/dbraw/zinc/31/74/85/281317485.db2.gz QFSCQKFITNSHTK-GDBMZVCRSA-N 0 3 291.439 2.840 20 30 CFEDHN CN(C)CCN(c1nccc(C#N)c1Cl)C1CCCC1 ZINC000360069117 289151964 /nfs/dbraw/zinc/15/19/64/289151964.db2.gz CGHXZINRDKALKW-UHFFFAOYSA-N 0 3 292.814 2.917 20 30 CFEDHN CC(C#N)C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000355018052 289235240 /nfs/dbraw/zinc/23/52/40/289235240.db2.gz CQKJHSSZKYXKHL-VWYCJHECSA-N 0 3 260.312 2.820 20 30 CFEDHN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000152917491 289857789 /nfs/dbraw/zinc/85/77/89/289857789.db2.gz DOSWLADACGYQEO-INIZCTEOSA-N 0 3 299.418 2.891 20 30 CFEDHN C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(C#N)c1 ZINC000153743125 289876051 /nfs/dbraw/zinc/87/60/51/289876051.db2.gz LYMYPAAFWAUIHA-RISCZKNCSA-N 0 3 297.324 2.845 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000330284257 290021786 /nfs/dbraw/zinc/02/17/86/290021786.db2.gz XFKPPRKMPOHWHO-XVIXHAIJSA-N 0 3 268.401 2.677 20 30 CFEDHN C[C@@H]1C[C@H](C)N([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000562502686 290048648 /nfs/dbraw/zinc/04/86/48/290048648.db2.gz PRXBMSFAEVJRKC-KEYYUXOJSA-N 0 3 297.402 2.784 20 30 CFEDHN CCC1CC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000562630580 290060867 /nfs/dbraw/zinc/06/08/67/290060867.db2.gz MNKXHJDUCJGKJJ-PGEKIEPBSA-N 0 3 297.402 2.832 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cc[nH]c1 ZINC000564323690 290203082 /nfs/dbraw/zinc/20/30/82/290203082.db2.gz OIJGMDDAXVLLPP-UHFFFAOYSA-N 0 3 269.348 2.535 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc3cc(C#N)ccc3n2)CN1C1CC1 ZINC000564568218 290215865 /nfs/dbraw/zinc/21/58/65/290215865.db2.gz PKGSMEKTIYUMNC-DOMZBBRYSA-N 0 3 292.386 2.565 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCOCC2(CC2)C1 ZINC000335315592 290219706 /nfs/dbraw/zinc/21/97/06/290219706.db2.gz KDBGCJPHQCGGFS-CYBMUJFWSA-N 0 3 256.349 2.732 20 30 CFEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000565046139 290262710 /nfs/dbraw/zinc/26/27/10/290262710.db2.gz KPCMHPYLWLHSMX-UHFFFAOYSA-N 0 3 259.309 2.841 20 30 CFEDHN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(C)C#N)c1 ZINC000345430991 295316633 /nfs/dbraw/zinc/31/66/33/295316633.db2.gz STBBIBKOFQZANE-JMSVASOKSA-N 0 3 272.348 2.764 20 30 CFEDHN C[C@H](Cn1cncn1)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360662562 298932630 /nfs/dbraw/zinc/93/26/30/298932630.db2.gz GZYSCAFCPWUHJA-DYVFJYSZSA-N 0 3 295.390 2.596 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085464227 782065125 /nfs/dbraw/zinc/06/51/25/782065125.db2.gz XUQMHACFQDETAL-INIZCTEOSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001085480902 782075166 /nfs/dbraw/zinc/07/51/66/782075166.db2.gz VWUIWOYWPWGMHJ-HOTGVXAUSA-N 0 3 276.424 2.842 20 30 CFEDHN N#C[C@H]1CCC[C@H](N[C@@H]2COc3ccccc3C2)C1 ZINC000185818740 327846382 /nfs/dbraw/zinc/84/63/82/327846382.db2.gz OHBVXQZFOGQOPS-QEJZJMRPSA-N 0 3 256.349 2.662 20 30 CFEDHN N#CCCCNCc1ccc(Br)c(F)c1 ZINC000273090986 327851318 /nfs/dbraw/zinc/85/13/18/327851318.db2.gz SPTFRIOPQUEYIL-UHFFFAOYSA-N 0 3 271.133 2.982 20 30 CFEDHN C=CCSCCNc1ccncc1-c1cccnc1 ZINC000367662451 327872816 /nfs/dbraw/zinc/87/28/16/327872816.db2.gz BKPOIVBCKHQTDU-UHFFFAOYSA-N 0 3 271.389 2.897 20 30 CFEDHN CC(C)[C@@H](NC[C@H](C#N)CCC#N)C1(CO)CCCC1 ZINC000563138022 327928642 /nfs/dbraw/zinc/92/86/42/327928642.db2.gz MJKJOHNNKOESAC-LSDHHAIUSA-N 0 3 277.412 2.597 20 30 CFEDHN CC#CCN1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000339660524 328012538 /nfs/dbraw/zinc/01/25/38/328012538.db2.gz XTMGSDPWTJZPCZ-OAHLLOKOSA-N 0 3 267.376 2.832 20 30 CFEDHN N#CCC1CCN(CCOc2ccccc2F)CC1 ZINC000541019245 328040651 /nfs/dbraw/zinc/04/06/51/328040651.db2.gz DPMLZVCGCAEDHK-UHFFFAOYSA-N 0 3 262.328 2.830 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000563373757 328058104 /nfs/dbraw/zinc/05/81/04/328058104.db2.gz MKFOBWAPRSKKQA-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN COCCO[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411405210 328087641 /nfs/dbraw/zinc/08/76/41/328087641.db2.gz CBXSVLMYPMYGFF-INIZCTEOSA-N 0 3 294.439 2.978 20 30 CFEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CC(C)(C)C1 ZINC000412041696 328102132 /nfs/dbraw/zinc/10/21/32/328102132.db2.gz SVISBHLEEGIQPC-INIZCTEOSA-N 0 3 279.428 2.551 20 30 CFEDHN N#CCCOCCN1CCC(Cc2ccccc2)CC1 ZINC000293592359 328111998 /nfs/dbraw/zinc/11/19/98/328111998.db2.gz UONAEPCVDSAIHY-UHFFFAOYSA-N 0 3 272.392 2.871 20 30 CFEDHN C=CCCCN1CCc2c(cccc2NC(C)=O)C1 ZINC000172176302 329082022 /nfs/dbraw/zinc/08/20/22/329082022.db2.gz DICWUMGBQACMOF-UHFFFAOYSA-N 0 3 258.365 2.969 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000340013176 328112841 /nfs/dbraw/zinc/11/28/41/328112841.db2.gz JDKCROJPOXMOTC-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN N#CCCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000273027645 328203161 /nfs/dbraw/zinc/20/31/61/328203161.db2.gz FTECGDBYGZVDCG-UHFFFAOYSA-N 0 3 274.755 2.919 20 30 CFEDHN N#CCCCNCc1ccc(OCC(F)F)cc1 ZINC000273027508 328203205 /nfs/dbraw/zinc/20/32/05/328203205.db2.gz FQBZLUFAKIRMAW-UHFFFAOYSA-N 0 3 254.280 2.724 20 30 CFEDHN CC(C)(C#N)CCCCN(CCO)Cc1cccnc1 ZINC000277739836 328222265 /nfs/dbraw/zinc/22/22/65/328222265.db2.gz OUZXYLPUZXRONP-UHFFFAOYSA-N 0 3 275.396 2.596 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)CCCC#N)c1ccccc1 ZINC000290912921 328261068 /nfs/dbraw/zinc/26/10/68/328261068.db2.gz AGEGRZXLZHGQPR-AWEZNQCLSA-N 0 3 287.407 2.926 20 30 CFEDHN N#CCCOCCNC1(c2cccc(Cl)c2)CC1 ZINC000293850355 328277999 /nfs/dbraw/zinc/27/79/99/328277999.db2.gz RGEMIWCXALEAEN-UHFFFAOYSA-N 0 3 264.756 2.849 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)CC(C)C ZINC000340544837 328291684 /nfs/dbraw/zinc/29/16/84/328291684.db2.gz XHOHPOSTCXFEMN-UHFFFAOYSA-N 0 3 266.429 2.801 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCc1nc(-c2ccccc2)no1 ZINC000298491884 328296730 /nfs/dbraw/zinc/29/67/30/328296730.db2.gz JQFJVNKTJSFVRA-ZDUSSCGKSA-N 0 3 284.363 2.903 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000298337600 328295856 /nfs/dbraw/zinc/29/58/56/328295856.db2.gz BHMJBFGBAGBDQU-YOEHRIQHSA-N 0 3 290.382 2.745 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN(CC3CCCCC3)CC2)n1 ZINC000160888923 322344806 /nfs/dbraw/zinc/34/48/06/322344806.db2.gz AUWMREOERFASRC-UHFFFAOYSA-N 0 3 298.434 2.964 20 30 CFEDHN CN(CCC1CCCCC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000101565987 328356925 /nfs/dbraw/zinc/35/69/25/328356925.db2.gz YEWMKPDJPGZRCN-KRWDZBQOSA-N 0 3 291.439 2.697 20 30 CFEDHN C=C(CC)CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000341008709 328403363 /nfs/dbraw/zinc/40/33/63/328403363.db2.gz CBTOVNVWABGDTQ-QGZVFWFLSA-N 0 3 274.408 2.616 20 30 CFEDHN C=CCC[C@@H](O)CNC1(c2ccc(OC)cc2)CC1 ZINC000341680397 328413999 /nfs/dbraw/zinc/41/39/99/328413999.db2.gz CTYJMGMOUSIHHB-CQSZACIVSA-N 0 3 261.365 2.601 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCc2ccccc21 ZINC000174256504 323645524 /nfs/dbraw/zinc/64/55/24/323645524.db2.gz QYLRZZNZRCOHTH-ZDUSSCGKSA-N 0 3 281.359 2.692 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000342277589 328418563 /nfs/dbraw/zinc/41/85/63/328418563.db2.gz BBRNSVNRSOZQTF-KGLIPLIRSA-N 0 3 266.429 2.777 20 30 CFEDHN Cc1noc(C)c1CCNCc1ccc(C#N)s1 ZINC000176965769 323686788 /nfs/dbraw/zinc/68/67/88/323686788.db2.gz OBTFANDVLCOTFG-UHFFFAOYSA-N 0 3 261.350 2.557 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000532074860 328444420 /nfs/dbraw/zinc/44/44/20/328444420.db2.gz HMJRNGPFDQZSDS-OAHLLOKOSA-N 0 3 264.413 2.698 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(C#N)cn2)C1 ZINC000578761656 324887101 /nfs/dbraw/zinc/88/71/01/324887101.db2.gz LRUVBYOXGDDVJQ-GUYCJALGSA-N 0 3 287.407 2.620 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCCN1CCCC1=O ZINC000583318314 325277334 /nfs/dbraw/zinc/27/73/34/325277334.db2.gz LQYMCPCRGJFLRV-CQSZACIVSA-N 0 3 285.391 2.564 20 30 CFEDHN CCOC(=O)CC1CCN(CCC(C)(C)C#N)CC1 ZINC000345704932 328567559 /nfs/dbraw/zinc/56/75/59/328567559.db2.gz DHIUYKIGJNUSGK-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC000179668565 326834556 /nfs/dbraw/zinc/83/45/56/326834556.db2.gz KHSWNHIUGSMTSE-HNNXBMFYSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C(CC)CC)C2CC2)CC1 ZINC000530916075 326896658 /nfs/dbraw/zinc/89/66/58/326896658.db2.gz MREQJUUVZPEPDX-UHFFFAOYSA-N 0 3 293.455 2.999 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(CN2CCC(C#N)CC2)CC1 ZINC000159033954 326994355 /nfs/dbraw/zinc/99/43/55/326994355.db2.gz JVMRGLABGJGNBB-UHFFFAOYSA-N 0 3 291.439 2.507 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(C)cc2)CC1 ZINC000255643309 327001912 /nfs/dbraw/zinc/00/19/12/327001912.db2.gz NEOCYXWVIUNBKM-HJWRWDBZSA-N 0 3 284.403 2.775 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C)C[C@@H]2CC)cc1 ZINC000557399545 327004556 /nfs/dbraw/zinc/00/45/56/327004556.db2.gz RLXDRWMRMCCMDB-INIZCTEOSA-N 0 3 274.408 2.777 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000557775171 327026589 /nfs/dbraw/zinc/02/65/89/327026589.db2.gz DBUBEWIXSMCJKG-QCZZGDTMSA-N 0 3 294.301 2.541 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C(C)C)CC1 ZINC000517997283 327144518 /nfs/dbraw/zinc/14/45/18/327144518.db2.gz CHGJHXLYCRMPJG-INIZCTEOSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@](O)(CC)C2)c1 ZINC000428450205 327374590 /nfs/dbraw/zinc/37/45/90/327374590.db2.gz VBSYASGHRWGTRY-INIZCTEOSA-N 0 3 261.365 2.598 20 30 CFEDHN COc1ccc([C@H](CCC#N)NCCCF)cc1 ZINC000562601378 327497974 /nfs/dbraw/zinc/49/79/74/327497974.db2.gz JKUJNZCKKHPTEL-AWEZNQCLSA-N 0 3 250.317 2.989 20 30 CFEDHN C=C(C)CCNCc1cc(OC)c(OC)cc1OC ZINC000395682308 328754800 /nfs/dbraw/zinc/75/48/00/328754800.db2.gz ALBRQZXYDHORGK-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000358324738 328882470 /nfs/dbraw/zinc/88/24/70/328882470.db2.gz XBIUMHKBOQNUHK-WDEREUQCSA-N 0 3 262.353 2.879 20 30 CFEDHN CN(C(=O)C1CCN(CCCC#N)CC1)c1ccccc1 ZINC000363210056 328932224 /nfs/dbraw/zinc/93/22/24/328932224.db2.gz ZZBZYYLEZDRQFF-UHFFFAOYSA-N 0 3 285.391 2.665 20 30 CFEDHN C=CCN1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000375547319 329003835 /nfs/dbraw/zinc/00/38/35/329003835.db2.gz ZRBLKDGORRGQAA-UHFFFAOYSA-N 0 3 271.286 2.861 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000377397309 329014037 /nfs/dbraw/zinc/01/40/37/329014037.db2.gz JBFNBWPZZCLGKI-SOLBZPMBSA-N 0 3 299.418 2.660 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](c3noc(CC)n3)C2)cc1 ZINC000377403132 329014441 /nfs/dbraw/zinc/01/44/41/329014441.db2.gz VRBWFQSCUYNSBF-INIZCTEOSA-N 0 3 295.386 2.993 20 30 CFEDHN CCN(CC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000377467152 329015967 /nfs/dbraw/zinc/01/59/67/329015967.db2.gz CFYMMBUGQHJJTP-ZBFHGGJFSA-N 0 3 257.381 2.667 20 30 CFEDHN C#Cc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1 ZINC000377551590 329018591 /nfs/dbraw/zinc/01/85/91/329018591.db2.gz YVKJGEAKZCLETO-UHFFFAOYSA-N 0 3 288.354 2.538 20 30 CFEDHN CC(C)(C)CC(=O)N1CC[C@H]2CN(CCCCC#N)C[C@H]21 ZINC000377577669 329019495 /nfs/dbraw/zinc/01/94/95/329019495.db2.gz VAWUABDOCWNHNH-LSDHHAIUSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377898377 329033980 /nfs/dbraw/zinc/03/39/80/329033980.db2.gz OUCVOOPGKJVRRM-MRXNPFEDSA-N 0 3 282.403 2.624 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@](CO)(C(C)C)C2)cc1 ZINC000378132943 329041072 /nfs/dbraw/zinc/04/10/72/329041072.db2.gz QXRKYPSSQOTGNZ-SFHVURJKSA-N 0 3 287.403 2.539 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(c2c[nH]cn2)CC1 ZINC000378337871 329046618 /nfs/dbraw/zinc/04/66/18/329046618.db2.gz BIIHHGVUWIFQGK-UHFFFAOYSA-N 0 3 295.386 2.801 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000171696138 329078565 /nfs/dbraw/zinc/07/85/65/329078565.db2.gz ILKZNDALEAHGFX-FMKPAKJESA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3c2CCC3)CC1 ZINC000171714910 329078751 /nfs/dbraw/zinc/07/87/51/329078751.db2.gz AHXADSZKOCYSLB-UHFFFAOYSA-N 0 3 284.403 2.556 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC000171715305 329079054 /nfs/dbraw/zinc/07/90/54/329079054.db2.gz HHZNHUSGRHNCEN-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)CC(C)(C)C ZINC000582640011 329116722 /nfs/dbraw/zinc/11/67/22/329116722.db2.gz NTBHATIDFRFDMT-UHFFFAOYSA-N 0 3 254.418 2.779 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)N[C@H](C)CC ZINC000172654360 329136219 /nfs/dbraw/zinc/13/62/19/329136219.db2.gz FITBRQMTKKIZQT-ZIAGYGMSSA-N 0 3 254.418 2.968 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418336830 329158343 /nfs/dbraw/zinc/15/83/43/329158343.db2.gz XUIVPFBYEAYRCB-WFASDCNBSA-N 0 3 275.396 2.684 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000179729765 329208285 /nfs/dbraw/zinc/20/82/85/329208285.db2.gz FKYUEEHIWRTPJH-HNNXBMFYSA-N 0 3 299.418 2.648 20 30 CFEDHN C[C@@H](O)[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000180855597 329223359 /nfs/dbraw/zinc/22/33/59/329223359.db2.gz DKVPCOBMQMOTBU-ZBFHGGJFSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CC[C@H]1N(Cc2cnnn2CC)CCCC1(C)C ZINC000459437665 329247883 /nfs/dbraw/zinc/24/78/83/329247883.db2.gz ZNXHULXKPJROOE-CQSZACIVSA-N 0 3 262.401 2.865 20 30 CFEDHN CC[C@H]1CN(c2ccccc2)CCN1CCCC#N ZINC000184013385 329252413 /nfs/dbraw/zinc/25/24/13/329252413.db2.gz FDNPVQMWLXCFLP-HNNXBMFYSA-N 0 3 257.381 2.891 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(CCC(F)(F)F)CC1 ZINC000184090830 329256189 /nfs/dbraw/zinc/25/61/89/329256189.db2.gz CJKDHUVCTJNRGC-LLVKDONJSA-N 0 3 277.334 2.685 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCCCCC1 ZINC000185095074 329268153 /nfs/dbraw/zinc/26/81/53/329268153.db2.gz YKXLAZARWFMJCC-AWEZNQCLSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000582913540 329287770 /nfs/dbraw/zinc/28/77/70/329287770.db2.gz LZUITMPBJNTYHX-AWEZNQCLSA-N 0 3 279.428 2.682 20 30 CFEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647671 329328290 /nfs/dbraw/zinc/32/82/90/329328290.db2.gz QKLFWOJYIJNPSF-LSDHHAIUSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1sc(C)nc1C ZINC000321278404 329340052 /nfs/dbraw/zinc/34/00/52/329340052.db2.gz FUWMMFMCZVLUSR-ZYHUDNBSSA-N 0 3 254.399 2.738 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)cc1F ZINC000321287819 329340347 /nfs/dbraw/zinc/34/03/47/329340347.db2.gz GYPFTYCVGVZBGS-CMPLNLGQSA-N 0 3 255.308 2.943 20 30 CFEDHN COC(=O)c1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459683896 329359718 /nfs/dbraw/zinc/35/97/18/329359718.db2.gz BLKAXUNMHLPYIW-UHFFFAOYSA-N 0 3 260.337 2.503 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCCCCC2)CCC1 ZINC000188482574 329369243 /nfs/dbraw/zinc/36/92/43/329369243.db2.gz SNPYHSOTURMWRY-UHFFFAOYSA-N 0 3 264.413 2.725 20 30 CFEDHN CO[C@H](C)[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000189118932 329377799 /nfs/dbraw/zinc/37/77/99/329377799.db2.gz INQLXTBLPFUDBQ-UONOGXRCSA-N 0 3 276.380 2.882 20 30 CFEDHN CC#CCCNCc1nc2ccccc2n1CCC ZINC000158328237 329785452 /nfs/dbraw/zinc/78/54/52/329785452.db2.gz RTNQWDDQZHDXCE-UHFFFAOYSA-N 0 3 255.365 2.949 20 30 CFEDHN CC(C)(C)Oc1cccc(CNC(=N)Nc2ccccn2)n1 ZINC000262135451 330000429 /nfs/dbraw/zinc/00/04/29/330000429.db2.gz OONMZPAJMIJNJP-UHFFFAOYSA-N 0 3 299.378 2.581 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccncc1Cl ZINC000421833253 330091102 /nfs/dbraw/zinc/09/11/02/330091102.db2.gz INXJVBDRFFHCHS-WDEREUQCSA-N 0 3 254.761 2.570 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421845526 330094661 /nfs/dbraw/zinc/09/46/61/330094661.db2.gz XLBJYOXZAMHUDL-ZYHUDNBSSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCCCC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000274498745 330105760 /nfs/dbraw/zinc/10/57/60/330105760.db2.gz RBRSDBHNIDZHBK-UHFFFAOYSA-N 0 3 265.353 2.855 20 30 CFEDHN C=CCN(CC=C)C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000422913522 330160428 /nfs/dbraw/zinc/16/04/28/330160428.db2.gz YTCNCLJXGJVMHE-OAHLLOKOSA-N 0 3 272.392 2.913 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(C)cc1 ZINC000424065491 330219349 /nfs/dbraw/zinc/21/93/49/330219349.db2.gz LYMDYDXYHZCBRN-HUUCEWRRSA-N 0 3 273.380 2.584 20 30 CFEDHN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424068731 330219823 /nfs/dbraw/zinc/21/98/23/330219823.db2.gz STLGPOSCNSCATP-GDBMZVCRSA-N 0 3 287.407 2.835 20 30 CFEDHN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424084277 330222605 /nfs/dbraw/zinc/22/26/05/330222605.db2.gz NZRWHNHWYUZIGB-JSGCOSHPSA-N 0 3 299.374 2.973 20 30 CFEDHN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424084280 330222753 /nfs/dbraw/zinc/22/27/53/330222753.db2.gz NZRWHNHWYUZIGB-TZMCWYRMSA-N 0 3 299.374 2.973 20 30 CFEDHN Cc1ccc(CN(C(=O)[C@H](N)CCCC#N)C(C)C)s1 ZINC000424100516 330233214 /nfs/dbraw/zinc/23/32/14/330233214.db2.gz HXFUDMFPHYWDPK-CQSZACIVSA-N 0 3 293.436 2.815 20 30 CFEDHN Cc1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1C ZINC000424105081 330234177 /nfs/dbraw/zinc/23/41/77/330234177.db2.gz URQDNIIGHXEUFN-IAGOWNOFSA-N 0 3 299.418 2.988 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000424108288 330234895 /nfs/dbraw/zinc/23/48/95/330234895.db2.gz QHPHFZQHZKREEP-YESZJQIVSA-N 0 3 299.418 2.850 20 30 CFEDHN COc1ccc([C@H](C)[C@H](C)NC[C@@H](C)C#N)cc1OC ZINC000527235418 330239835 /nfs/dbraw/zinc/23/98/35/330239835.db2.gz HAUBSOFJXRNIMH-XQQFMLRXSA-N 0 3 276.380 2.945 20 30 CFEDHN Cc1ccccc1C[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424114162 330242819 /nfs/dbraw/zinc/24/28/19/330242819.db2.gz QAZKPCTVKIMIHF-DLBZAZTESA-N 0 3 299.418 2.550 20 30 CFEDHN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424114886 330243121 /nfs/dbraw/zinc/24/31/21/330243121.db2.gz SQEYGBYSKZYPHN-IRXDYDNUSA-N 0 3 299.418 2.550 20 30 CFEDHN Cc1cccc([C@H](C)NC(=O)[C@@H](N)CCCC#N)c1C ZINC000424131502 330262490 /nfs/dbraw/zinc/26/24/90/330262490.db2.gz VGIUZULNRXVWLG-ZFWWWQNUSA-N 0 3 273.380 2.502 20 30 CFEDHN CC(C)CC[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000424133124 330265412 /nfs/dbraw/zinc/26/54/12/330265412.db2.gz XAMBCUPQDTVQFG-KBPBESRZSA-N 0 3 281.444 2.975 20 30 CFEDHN CC(C)Nc1ccc(F)cc1NC(=O)[C@H](N)CCCC#N ZINC000424137772 330274887 /nfs/dbraw/zinc/27/48/87/330274887.db2.gz SMVCLBBEYICTJL-GFCCVEGCSA-N 0 3 292.358 2.606 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC000527938083 330293711 /nfs/dbraw/zinc/29/37/11/330293711.db2.gz JCYZTZOMODUPIS-UTUOFQBUSA-N 0 3 286.301 2.658 20 30 CFEDHN COc1cccc([C@H](CN[C@@H]2CC[C@@H](C#N)C2)OC)c1 ZINC000527925544 330296517 /nfs/dbraw/zinc/29/65/17/330296517.db2.gz KZGXMFDBWUUTMB-XPKDYRNWSA-N 0 3 274.364 2.665 20 30 CFEDHN COc1ccc([C@H](N[C@@H]2CC[C@H](C#N)C2)C2CC2)cn1 ZINC000528041911 330305707 /nfs/dbraw/zinc/30/57/07/330305707.db2.gz AVLUFBHFXARGFP-SGIREYDYSA-N 0 3 271.364 2.823 20 30 CFEDHN C=CCn1cc(CNC[C@H]2CC(C)=C[C@@H](C)C2)nn1 ZINC000424166879 330309459 /nfs/dbraw/zinc/30/94/59/330309459.db2.gz BRLWZZBUGZHAGX-TZMCWYRMSA-N 0 3 260.385 2.546 20 30 CFEDHN CCc1cc(NC(=O)[C@H](N)CCCC#N)ccc1C ZINC000424171030 330311029 /nfs/dbraw/zinc/31/10/29/330311029.db2.gz IRAGUIZNMRHMTL-CQSZACIVSA-N 0 3 259.353 2.517 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cnc(C(F)(F)F)s1 ZINC000424173332 330313702 /nfs/dbraw/zinc/31/37/02/330313702.db2.gz MXSYHUVPHVLYQN-WPRPVWTQSA-N 0 3 292.326 2.843 20 30 CFEDHN C=CCn1cc(CNC2CCC(CCC)CC2)nn1 ZINC000424174819 330315251 /nfs/dbraw/zinc/31/52/51/330315251.db2.gz SJIKIHYWZUTGIS-UHFFFAOYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CNC2CCC(C(C)C)CC2)nn1 ZINC000424176031 330316178 /nfs/dbraw/zinc/31/61/78/330316178.db2.gz WOPCEELSQFSGMI-UHFFFAOYSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000528288543 330318530 /nfs/dbraw/zinc/31/85/30/330318530.db2.gz MWBHEZHBSXEKJG-MRXNPFEDSA-N 0 3 291.439 2.611 20 30 CFEDHN C[C@@H](CCNC(=O)[C@H](N)CCCC#N)CC(C)(C)C ZINC000424187000 330320869 /nfs/dbraw/zinc/32/08/69/330320869.db2.gz JLTWOGIVXMHTRL-QWHCGFSZSA-N 0 3 267.417 2.586 20 30 CFEDHN C=CCc1cc(CN[C@@H]2CC23CC3)cc(OC)c1O ZINC000424186358 330320917 /nfs/dbraw/zinc/32/09/17/330320917.db2.gz SDKWYZCSGQBWLV-CQSZACIVSA-N 0 3 259.349 2.771 20 30 CFEDHN C=CCc1cc(CN[C@H]2CC23CC3)cc(OC)c1O ZINC000424186357 330320925 /nfs/dbraw/zinc/32/09/25/330320925.db2.gz SDKWYZCSGQBWLV-AWEZNQCLSA-N 0 3 259.349 2.771 20 30 CFEDHN CC(C)c1cccc2c1CCN(C(=O)[C@@H](N)CCCC#N)C2 ZINC000424189055 330322123 /nfs/dbraw/zinc/32/21/23/330322123.db2.gz MQJBIBQYAWGBSY-KRWDZBQOSA-N 0 3 299.418 2.716 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000424208325 330328104 /nfs/dbraw/zinc/32/81/04/330328104.db2.gz ZAAQGESRYCPIJR-GXSJLCMTSA-N 0 3 280.274 2.790 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000429812757 330332112 /nfs/dbraw/zinc/33/21/12/330332112.db2.gz ZGEYIIFUNURFMC-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@@H](C)CCCC)nn1 ZINC000424290322 330334559 /nfs/dbraw/zinc/33/45/59/330334559.db2.gz BKZBWAKHUARTTH-QWHCGFSZSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)nn1 ZINC000424292851 330335191 /nfs/dbraw/zinc/33/51/91/330335191.db2.gz HSHLVJVWZPQKAZ-AEFFLSMTSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2)nn1 ZINC000424292853 330335242 /nfs/dbraw/zinc/33/52/42/330335242.db2.gz HSHLVJVWZPQKAZ-SJLPKXTDSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)C2CCCCC2)nn1 ZINC000424293312 330335358 /nfs/dbraw/zinc/33/53/58/330335358.db2.gz IHTIFSRMLNYKRT-HNNXBMFYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@@H](C)CC[C@@H]2CC)nn1 ZINC000424297100 330336224 /nfs/dbraw/zinc/33/62/24/330336224.db2.gz PWPUJNCUGKRBAZ-KCQAQPDRSA-N 0 3 262.401 2.769 20 30 CFEDHN COC(=O)CC1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000424303726 330338012 /nfs/dbraw/zinc/33/80/12/330338012.db2.gz OVJMCCTVVMVJID-AVVWSFFYSA-N 0 3 286.375 2.963 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)NCC(C)(C)CCC#N)c1 ZINC000424425606 330351570 /nfs/dbraw/zinc/35/15/70/330351570.db2.gz KDALOTPFBOQCQB-UHFFFAOYSA-N 0 3 288.395 2.905 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000424584559 330389153 /nfs/dbraw/zinc/38/91/53/330389153.db2.gz NXXIIYVYFJBZOP-UONOGXRCSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000090451352 330392623 /nfs/dbraw/zinc/39/26/23/330392623.db2.gz HDVJWLUOVYZYON-YJYMSZOUSA-N 0 3 281.421 2.667 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(C)cc1OC ZINC000537092040 330398269 /nfs/dbraw/zinc/39/82/69/330398269.db2.gz FRSKNMDZMMMIHH-KBPBESRZSA-N 0 3 263.381 2.839 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516087770 330486967 /nfs/dbraw/zinc/48/69/67/330486967.db2.gz AOJHCOYBWZYJQF-CQSZACIVSA-N 0 3 276.336 2.764 20 30 CFEDHN C=C(C)COCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516087769 330486980 /nfs/dbraw/zinc/48/69/80/330486980.db2.gz AOJHCOYBWZYJQF-AWEZNQCLSA-N 0 3 276.336 2.764 20 30 CFEDHN N#CCC1(CNC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000430018544 330557381 /nfs/dbraw/zinc/55/73/81/330557381.db2.gz GBOBFJIWCWZDAD-HWKANZROSA-N 0 3 271.320 2.891 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCO2 ZINC000430734538 330571838 /nfs/dbraw/zinc/57/18/38/330571838.db2.gz NEMXXEOHXJXHSN-LLVKDONJSA-N 0 3 258.321 2.760 20 30 CFEDHN CC[C@H](C)NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433022905 330612766 /nfs/dbraw/zinc/61/27/66/330612766.db2.gz YCYHRFLXJHEUPT-HOCLYGCPSA-N 0 3 287.407 2.926 20 30 CFEDHN C[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)N1CCCCCC1 ZINC000434030283 330634567 /nfs/dbraw/zinc/63/45/67/330634567.db2.gz HFXAOMPBUWTNAE-HUUCEWRRSA-N 0 3 291.439 2.792 20 30 CFEDHN Cc1cc(C)n(-c2ccc(CN[C@H]3CC[C@@H](C#N)C3)cn2)n1 ZINC000442709991 330780117 /nfs/dbraw/zinc/78/01/17/330780117.db2.gz PGJSTVPAFQZKOB-ZBFHGGJFSA-N 0 3 295.390 2.666 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000442708400 330780183 /nfs/dbraw/zinc/78/01/83/330780183.db2.gz IXEZCPPJSGCUDE-ZBFHGGJFSA-N 0 3 284.407 2.854 20 30 CFEDHN CCN1CCN(c2ccccc2N[C@H]2CC[C@H](C#N)C2)CC1 ZINC000442859420 330787822 /nfs/dbraw/zinc/78/78/22/330787822.db2.gz ACGIDEYDJMIPPH-HOTGVXAUSA-N 0 3 298.434 2.933 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC(C)(C)C2)CC1 ZINC000443187448 330796165 /nfs/dbraw/zinc/79/61/65/330796165.db2.gz OFPAWBKFGIPXGI-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN CC(=O)N(C)C1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444621203 330815545 /nfs/dbraw/zinc/81/55/45/330815545.db2.gz RLTIAKRBOKYBHC-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2C=C)cc1OC ZINC000449516903 330932790 /nfs/dbraw/zinc/93/27/90/330932790.db2.gz DASWCVMUZKBRSH-CABCVRRESA-N 0 3 289.375 2.693 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)c(OC)c(OC)c1 ZINC000449516439 330932871 /nfs/dbraw/zinc/93/28/71/330932871.db2.gz AWOQPKJEFRFMEK-OLZOCXBDSA-N 0 3 297.782 2.790 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OCC)c1 ZINC000449546487 330935294 /nfs/dbraw/zinc/93/52/94/330935294.db2.gz CGYNLCMXEHTRFD-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN C=C(CC)CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000449733948 330946704 /nfs/dbraw/zinc/94/67/04/330946704.db2.gz QQQXYVYSPWLRKI-UHFFFAOYSA-N 0 3 285.347 2.861 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@@H]1NCC1(C#N)CCC1 ZINC000450756996 330998205 /nfs/dbraw/zinc/99/82/05/330998205.db2.gz LNQQNPDXADASJH-UONOGXRCSA-N 0 3 250.386 2.864 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC/C=C\c2ccccc2)C1=O ZINC000450913843 331006881 /nfs/dbraw/zinc/00/68/81/331006881.db2.gz ZRUGFYOTSDZGOK-GJBHZFNWSA-N 0 3 284.403 2.809 20 30 CFEDHN CN1CC[C@@H](NCC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000450937167 331008101 /nfs/dbraw/zinc/00/81/01/331008101.db2.gz NNHBNIVKOGYKIL-CVEARBPZSA-N 0 3 269.392 2.715 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCCN1CC1(C#N)CCC1 ZINC000450980233 331009849 /nfs/dbraw/zinc/00/98/49/331009849.db2.gz DQRXYBASYLWHIZ-UONOGXRCSA-N 0 3 250.386 2.696 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](OC)C(C)(C)C1 ZINC000451554089 331034244 /nfs/dbraw/zinc/03/42/44/331034244.db2.gz PBJFPMVGALNKDW-CABCVRRESA-N 0 3 296.455 2.546 20 30 CFEDHN CC(C)OCCOC1CCN(CCC(C)(C)C#N)CC1 ZINC000451952779 331048050 /nfs/dbraw/zinc/04/80/50/331048050.db2.gz QKPNVKBRBLQSIR-UHFFFAOYSA-N 0 3 282.428 2.832 20 30 CFEDHN C[C@@H]1CCC(C)(C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000452008475 331050365 /nfs/dbraw/zinc/05/03/65/331050365.db2.gz SOTOWWIHTZYGJE-CYBMUJFWSA-N 0 3 277.412 2.592 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1OCC ZINC000452032285 331051290 /nfs/dbraw/zinc/05/12/90/331051290.db2.gz CGOFTWNJJDGNHI-BZUAXINKSA-N 0 3 296.455 2.737 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](CC(C)(C)C)C1 ZINC000452067921 331052797 /nfs/dbraw/zinc/05/27/97/331052797.db2.gz AYRPESACCKMLLF-RHSMWYFYSA-N 0 3 293.455 2.799 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](CC(C)(C)C)C2)C1=O ZINC000452083939 331053519 /nfs/dbraw/zinc/05/35/19/331053519.db2.gz UQTJUDKEGOVPBI-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN OCCC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000452119089 331054929 /nfs/dbraw/zinc/05/49/29/331054929.db2.gz KPEXLMMQGZBDRG-OAHLLOKOSA-N 0 3 277.795 2.786 20 30 CFEDHN C=C[C@H](CC(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000452968975 331082152 /nfs/dbraw/zinc/08/21/52/331082152.db2.gz CPHWFFNHNBWIFF-OIISXLGYSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CC(C)(C)CN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000453311164 331114641 /nfs/dbraw/zinc/11/46/41/331114641.db2.gz RVAXZOIGANQNLY-JTQLQIEISA-N 0 3 251.326 2.929 20 30 CFEDHN C=CC(C)(C)CN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000453311212 331114760 /nfs/dbraw/zinc/11/47/60/331114760.db2.gz SASCCDNVOASLQU-ZDUSSCGKSA-N 0 3 274.343 2.835 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2c(c1)COC2 ZINC000453345756 331119820 /nfs/dbraw/zinc/11/98/20/331119820.db2.gz GICVGZGITZUWQW-LYRGGWFBSA-N 0 3 259.349 2.711 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sccc1OC ZINC000453354279 331121416 /nfs/dbraw/zinc/12/14/16/331121416.db2.gz KSNQBDSNHXUQEM-AXFHLTTASA-N 0 3 253.367 2.751 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000453366683 331123400 /nfs/dbraw/zinc/12/34/00/331123400.db2.gz SGMNLOBDHYNFIH-VXGBXAGGSA-N 0 3 297.370 2.821 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1sc(CCOC)nc1C ZINC000453369360 331123835 /nfs/dbraw/zinc/12/38/35/331123835.db2.gz TZUDIVBWDFXZKI-DGCLKSJQSA-N 0 3 298.452 2.618 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2ccc(OC)cc21 ZINC000453369944 331123873 /nfs/dbraw/zinc/12/38/73/331123873.db2.gz UADHXRDGODZHTF-OAGGEKHMSA-N 0 3 259.349 2.616 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(OC)cc21 ZINC000453369947 331123882 /nfs/dbraw/zinc/12/38/82/331123882.db2.gz UADHXRDGODZHTF-XHSDSOJGSA-N 0 3 259.349 2.616 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000453372719 331124360 /nfs/dbraw/zinc/12/43/60/331124360.db2.gz UZWJHWUVYCCHKD-GDLCADMTSA-N 0 3 265.328 2.828 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000453373983 331124379 /nfs/dbraw/zinc/12/43/79/331124379.db2.gz WJLIGNBZYJVPQW-WQVCFCJDSA-N 0 3 275.396 2.992 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000453375389 331124772 /nfs/dbraw/zinc/12/47/72/331124772.db2.gz WUZIKQIQPOUVIE-WFASDCNBSA-N 0 3 279.355 2.738 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000454733639 331152572 /nfs/dbraw/zinc/15/25/72/331152572.db2.gz WPAXDTKZOSLNRA-CVEARBPZSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCC1(NC(=O)CN(C)CCC)CCCCC1 ZINC000456363094 331191085 /nfs/dbraw/zinc/19/10/85/331191085.db2.gz IIFXGCHBVXMZAP-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN CC(C#N)C(=O)N[C@](C)(Cc1ccccc1)C1CC1 ZINC000457044267 331210858 /nfs/dbraw/zinc/21/08/58/331210858.db2.gz MZZBZAPVTMWIBJ-MLGOLLRUSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCCC2(C)C)CCC1 ZINC000457051238 331210942 /nfs/dbraw/zinc/21/09/42/331210942.db2.gz HJUIHLQVMAJSPC-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457080849 331211778 /nfs/dbraw/zinc/21/17/78/331211778.db2.gz CJSJYICJPFQPJV-ZDUSSCGKSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457094615 331212230 /nfs/dbraw/zinc/21/22/30/331212230.db2.gz OUKNZCAFXMEITK-HNNXBMFYSA-N 0 3 264.413 2.696 20 30 CFEDHN C=C(C)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000457528253 331225974 /nfs/dbraw/zinc/22/59/74/331225974.db2.gz LQYVGNPKJSGORW-OAHLLOKOSA-N 0 3 275.396 2.555 20 30 CFEDHN Cc1cc(NC(=O)CCCC#N)ccc1CN(C)C ZINC000458258987 331246497 /nfs/dbraw/zinc/24/64/97/331246497.db2.gz GFWOOWAACZQCAM-UHFFFAOYSA-N 0 3 259.353 2.689 20 30 CFEDHN Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)ccc1CN(C)C ZINC000458275104 331247015 /nfs/dbraw/zinc/24/70/15/331247015.db2.gz YIIZTWIZKZKQJP-LRDDRELGSA-N 0 3 271.364 2.545 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC(C(C)(C)C)C2)CC1 ZINC000458318327 331248405 /nfs/dbraw/zinc/24/84/05/331248405.db2.gz JKRVOZGQMIFFIO-UHFFFAOYSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C(C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000458766021 331259412 /nfs/dbraw/zinc/25/94/12/331259412.db2.gz JXLDAVQINMVOAS-GDBMZVCRSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(CCN(C)C)CC(C)C ZINC000458808400 331260476 /nfs/dbraw/zinc/26/04/76/331260476.db2.gz IJXXFYJTBJGMLO-UHFFFAOYSA-N 0 3 283.460 2.818 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000458993500 331265084 /nfs/dbraw/zinc/26/50/84/331265084.db2.gz XSGKXHLPHOMIOR-SOUVJXGZSA-N 0 3 293.455 2.570 20 30 CFEDHN C=CCC1(CNC(=O)N2CCC[C@@H](N(C)C)C2)CCCC1 ZINC000459049846 331268405 /nfs/dbraw/zinc/26/84/05/331268405.db2.gz LRIGSPVMFDGKFF-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCC1(CNC(=O)N2CCC[C@H](N(C)C)C2)CCCC1 ZINC000459049468 331268455 /nfs/dbraw/zinc/26/84/55/331268455.db2.gz LRIGSPVMFDGKFF-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN CC1(C#N)CCN(CCOCC2CCCC2)CC1 ZINC000459413232 331280424 /nfs/dbraw/zinc/28/04/24/331280424.db2.gz QGWGIXCGDILPHI-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN C=C(C)CN(C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459458069 331282282 /nfs/dbraw/zinc/28/22/82/331282282.db2.gz JMLSVFISJDUBMX-OAHLLOKOSA-N 0 3 274.408 2.920 20 30 CFEDHN CC(C)(C)OC(=O)[C@@]1(C)CCN(CCC(C)(C)C#N)C1 ZINC000459555535 331287612 /nfs/dbraw/zinc/28/76/12/331287612.db2.gz CXWPWISIGWBCQD-INIZCTEOSA-N 0 3 280.412 2.980 20 30 CFEDHN CON1CCC(N(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000459574819 331288887 /nfs/dbraw/zinc/28/88/87/331288887.db2.gz FEGVLJWHIKHBKJ-UHFFFAOYSA-N 0 3 292.810 2.649 20 30 CFEDHN COC[C@H](Cc1ccccc1)NCC(C)(C)CC#N ZINC000459730388 331296341 /nfs/dbraw/zinc/29/63/41/331296341.db2.gz LWSICZYTTGBUMY-HNNXBMFYSA-N 0 3 260.381 2.774 20 30 CFEDHN COCCOCc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459736930 331296953 /nfs/dbraw/zinc/29/69/53/331296953.db2.gz VCYHOYKKRLJNLE-UHFFFAOYSA-N 0 3 290.407 2.879 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488749943 332024117 /nfs/dbraw/zinc/02/41/17/332024117.db2.gz SNLXSVZLQBKXKD-CVEARBPZSA-N 0 3 293.455 2.809 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000488906885 332033434 /nfs/dbraw/zinc/03/34/34/332033434.db2.gz DBBFUDGSSSUZJC-HNNXBMFYSA-N 0 3 289.423 2.668 20 30 CFEDHN C=C[C@H]1CCCCN1CCOc1ccccc1C(=O)OC ZINC000489401897 332050337 /nfs/dbraw/zinc/05/03/37/332050337.db2.gz JIBKOXDTWNQQTB-AWEZNQCLSA-N 0 3 289.375 2.893 20 30 CFEDHN C=CCCCCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490202159 332084376 /nfs/dbraw/zinc/08/43/76/332084376.db2.gz NUPOXQGWFUFVNP-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000490205598 332084407 /nfs/dbraw/zinc/08/44/07/332084407.db2.gz XQVYAPCLQRFHAS-OWCLPIDISA-N 0 3 293.455 2.714 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000490205987 332084731 /nfs/dbraw/zinc/08/47/31/332084731.db2.gz VOMNPAQUCKCZJX-VHDGCEQUSA-N 0 3 256.349 2.989 20 30 CFEDHN C#CCN1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000490556705 332091795 /nfs/dbraw/zinc/09/17/95/332091795.db2.gz XMOOUHRAEJSYJJ-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000491289090 332182590 /nfs/dbraw/zinc/18/25/90/332182590.db2.gz WOEMWOMSKYKSAL-ZENOOKHLSA-N 0 3 295.810 2.732 20 30 CFEDHN C#C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000491306855 332186707 /nfs/dbraw/zinc/18/67/07/332186707.db2.gz OCPDCNBQFBHQFP-IUCKJTJTSA-N 0 3 258.321 2.855 20 30 CFEDHN C#C[C@@H](CC)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000491387116 332202622 /nfs/dbraw/zinc/20/26/22/332202622.db2.gz XGOGPDJNXUKXCH-KRWDZBQOSA-N 0 3 292.386 2.965 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](CCC)c1ccc(F)cc1F ZINC000491408496 332206894 /nfs/dbraw/zinc/20/68/94/332206894.db2.gz VXYNUSNOHDYIGM-HNNXBMFYSA-N 0 3 294.345 2.535 20 30 CFEDHN C#C[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(F)cc1 ZINC000491408932 332207091 /nfs/dbraw/zinc/20/70/91/332207091.db2.gz XSHUQJKGKOBLFR-OAHLLOKOSA-N 0 3 296.336 2.819 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H]1CCO[C@@H](C)C1 ZINC000491485621 332220445 /nfs/dbraw/zinc/22/04/45/332220445.db2.gz PRAJKUYEQPETHJ-RDJZCZTQSA-N 0 3 257.377 2.937 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000491620012 332245842 /nfs/dbraw/zinc/24/58/42/332245842.db2.gz FTMXCQUJYIZFOS-MSOLQXFVSA-N 0 3 298.430 2.642 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(F)F)CC1 ZINC000491626120 332249839 /nfs/dbraw/zinc/24/98/39/332249839.db2.gz IKKRLPPGXFWOSW-UHFFFAOYSA-N 0 3 292.329 2.908 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000491635020 332256287 /nfs/dbraw/zinc/25/62/87/332256287.db2.gz KDZGFOTXXKIOEV-PBHICJAKSA-N 0 3 273.376 2.698 20 30 CFEDHN C#C[C@H](N[C@@H]1C[C@H](OCC)[C@@H]1SC)C(C)(C)C ZINC000491665213 332274013 /nfs/dbraw/zinc/27/40/13/332274013.db2.gz KGVQRBJCMLWERO-MROQNXINSA-N 0 3 255.427 2.533 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491672240 332278904 /nfs/dbraw/zinc/27/89/04/332278904.db2.gz OWIMGOHGGGDXOJ-UONOGXRCSA-N 0 3 280.412 2.587 20 30 CFEDHN C#CCN(CCO[C@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000491694797 332290713 /nfs/dbraw/zinc/29/07/13/332290713.db2.gz LVWOCIOIYCXENB-PBHICJAKSA-N 0 3 268.360 2.538 20 30 CFEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1cccc(C)c1 ZINC000491715451 332305792 /nfs/dbraw/zinc/30/57/92/332305792.db2.gz JXNZOEWCUMTIKW-OAHLLOKOSA-N 0 3 253.349 2.887 20 30 CFEDHN C#CCN1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000491788427 332350941 /nfs/dbraw/zinc/35/09/41/332350941.db2.gz ZCSPCQLMSVUPSJ-UHFFFAOYSA-N 0 3 292.423 2.733 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)/C=C/CN(C)C ZINC000491960140 332377277 /nfs/dbraw/zinc/37/72/77/332377277.db2.gz HAEULTNGJPFRDL-DHZHZOJOSA-N 0 3 272.392 2.709 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccccc2C)CC1 ZINC000492084702 332382099 /nfs/dbraw/zinc/38/20/99/332382099.db2.gz BEYTYALXYLBRJU-MDZDMXLPSA-N 0 3 296.414 2.612 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000249733338 334339644 /nfs/dbraw/zinc/33/96/44/334339644.db2.gz UZBHBXOTLNYOGH-RBSFLKMASA-N 0 3 279.428 2.505 20 30 CFEDHN CC(C)(C)OC(=O)NCCC1CCN(CCCC#N)CC1 ZINC000496469107 332550446 /nfs/dbraw/zinc/55/04/46/332550446.db2.gz FYWKXVNRLAXJTG-UHFFFAOYSA-N 0 3 295.427 2.917 20 30 CFEDHN C#CCN(C[C@H]1CN(c2ccccc2)C(=O)O1)C1CCCC1 ZINC000176379775 333041592 /nfs/dbraw/zinc/04/15/92/333041592.db2.gz UAYDKQKPRPPDMN-KRWDZBQOSA-N 0 3 298.386 2.890 20 30 CFEDHN C=CCN1CCC(NC(=O)CC(CC)CC)CC1 ZINC000177742179 333062526 /nfs/dbraw/zinc/06/25/26/333062526.db2.gz GTIBBCYSXPUFEV-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H]1CN(c2ccccc2)CCO1 ZINC000517387747 333098581 /nfs/dbraw/zinc/09/85/81/333098581.db2.gz NKKDJDIWWLQXKT-WMZOPIPTSA-N 0 3 286.419 2.932 20 30 CFEDHN C=CCNC(=O)CN1CCCC(CC)(CC)CC1 ZINC000190414441 333206487 /nfs/dbraw/zinc/20/64/87/333206487.db2.gz GOVLZQBTIZUKRM-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000522976418 333302718 /nfs/dbraw/zinc/30/27/18/333302718.db2.gz QPFDRJJPGMCIHC-ZHAHWJHGSA-N 0 3 293.164 2.581 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CCC[C@H](O)C1 ZINC000230669826 333320232 /nfs/dbraw/zinc/32/02/32/333320232.db2.gz BSQHLFAPQQVQOT-HOCLYGCPSA-N 0 3 275.392 2.892 20 30 CFEDHN N#CCCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524598740 333368292 /nfs/dbraw/zinc/36/82/92/333368292.db2.gz KQZANCJEHATJOG-LLVKDONJSA-N 0 3 264.291 2.724 20 30 CFEDHN CN1CCC(O)(CNC(=O)C(C2CCC2)C2CCC2)CC1 ZINC000329171369 333541684 /nfs/dbraw/zinc/54/16/84/333541684.db2.gz KKOSIRJDDQPOJL-UHFFFAOYSA-N 0 3 294.439 2.616 20 30 CFEDHN C=CCCOCCCCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000539392877 333668741 /nfs/dbraw/zinc/66/87/41/333668741.db2.gz IPMFBLFMSRUENP-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCCC[C@@H](C)N[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000542209833 333816034 /nfs/dbraw/zinc/81/60/34/333816034.db2.gz JBHQCEPSQYTGQH-IUODEOHRSA-N 0 3 278.371 2.557 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000546225502 334020174 /nfs/dbraw/zinc/02/01/74/334020174.db2.gz OQEUDMLPPWBWBZ-KSSFIOAISA-N 0 3 299.418 2.763 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000074994998 334022363 /nfs/dbraw/zinc/02/23/63/334022363.db2.gz AHVUAWYWJHIEIN-HNNXBMFYSA-N 0 3 264.413 2.555 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000134292266 334087172 /nfs/dbraw/zinc/08/71/72/334087172.db2.gz JUOLPWKQPLZMJD-GOEBONIOSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000134504261 334092508 /nfs/dbraw/zinc/09/25/08/334092508.db2.gz NVYYAPZRELYKJX-UHFFFAOYSA-N 0 3 289.354 2.898 20 30 CFEDHN C=CC[C@H](C(=O)NCCN1CC[C@H](C)C1)c1ccccc1 ZINC000547654125 334106378 /nfs/dbraw/zinc/10/63/78/334106378.db2.gz DXPZPQOTMIROSN-RDJZCZTQSA-N 0 3 286.419 2.804 20 30 CFEDHN C=CCOCCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000547767605 334115895 /nfs/dbraw/zinc/11/58/95/334115895.db2.gz RKXWHMBBEUWIQR-ZDUSSCGKSA-N 0 3 295.345 2.604 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@@H](CN1CCCC1)c1ccccc1 ZINC000548781969 334173742 /nfs/dbraw/zinc/17/37/42/334173742.db2.gz NOJXKMRNQSWYOA-WMZOPIPTSA-N 0 3 296.418 2.857 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(F)c2ccccc21 ZINC000551149092 334239583 /nfs/dbraw/zinc/23/95/83/334239583.db2.gz WLDFGNCCPOZOLY-GFCCVEGCSA-N 0 3 286.350 2.932 20 30 CFEDHN C=CCSCCN[C@@H](C)c1cn2ccccc2n1 ZINC000551296235 334245401 /nfs/dbraw/zinc/24/54/01/334245401.db2.gz FHOQLFCBNVEOLP-LBPRGKRZSA-N 0 3 261.394 2.904 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccccc1-n1ccnn1 ZINC000552260943 334309877 /nfs/dbraw/zinc/30/98/77/334309877.db2.gz UMHQMZDOXZDWNO-CYBMUJFWSA-N 0 3 281.363 2.612 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000248890761 334321242 /nfs/dbraw/zinc/32/12/42/334321242.db2.gz FSHMQRKHWSFOJK-IJEWVQPXSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS[C@H](C)CC1 ZINC000249008682 334324754 /nfs/dbraw/zinc/32/47/54/334324754.db2.gz JIGLMBOOTQSGSF-KGLIPLIRSA-N 0 3 284.469 2.627 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000249606444 334337946 /nfs/dbraw/zinc/33/79/46/334337946.db2.gz ZUXNXWRAKHCJQH-IAGOWNOFSA-N 0 3 286.419 2.947 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCOc2ccccc21 ZINC000554486669 334432130 /nfs/dbraw/zinc/43/21/30/334432130.db2.gz JTANRSZPPWDGCD-KGLIPLIRSA-N 0 3 269.348 2.586 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCCC2)CC1 ZINC000555312920 334474161 /nfs/dbraw/zinc/47/41/61/334474161.db2.gz JVTRYOXBJIFNPD-AWEZNQCLSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CC1(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000565291044 334550189 /nfs/dbraw/zinc/55/01/89/334550189.db2.gz ZQTVDTWJHOUSKB-UHFFFAOYSA-N 0 3 297.402 2.706 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc(C(C)C)n2ccccc12 ZINC000565838375 334601915 /nfs/dbraw/zinc/60/19/15/334601915.db2.gz NSXALIAQIOQSEG-CQSZACIVSA-N 0 3 287.407 2.732 20 30 CFEDHN CSCc1cnc(CNCCCCC#N)s1 ZINC000293684614 334842630 /nfs/dbraw/zinc/84/26/30/334842630.db2.gz VWQYRJLVKCNSAF-UHFFFAOYSA-N 0 3 255.412 2.790 20 30 CFEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1cccnc1 ZINC000343675977 335216384 /nfs/dbraw/zinc/21/63/84/335216384.db2.gz CBNLQBMWKLNWRF-CYBMUJFWSA-N 0 3 251.333 2.998 20 30 CFEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343687679 335216698 /nfs/dbraw/zinc/21/66/98/335216698.db2.gz OFRUFORIYROGNL-SQWLQELKSA-N 0 3 281.444 2.797 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCOC2(CCCCC2)C1 ZINC000577455343 335353897 /nfs/dbraw/zinc/35/38/97/335353897.db2.gz LVEDEAFIQSFEKW-LSDHHAIUSA-N 0 3 275.396 2.901 20 30 CFEDHN C[C@@H](CCc1ccc2c(c1)OCO2)NC[C@H](C#N)CCC#N ZINC000577741616 335395130 /nfs/dbraw/zinc/39/51/30/335395130.db2.gz RXGXJNVDZNKVLQ-ZFWWWQNUSA-N 0 3 299.374 2.770 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN[C@H](CC)CC#N ZINC000579001399 335698451 /nfs/dbraw/zinc/69/84/51/335698451.db2.gz QRQJXRPGWMGVRR-GFCCVEGCSA-N 0 3 254.374 2.638 20 30 CFEDHN Cn1c2ccccc2cc(CN2CCC(C)(C#N)CC2)c1=O ZINC000579489794 335772689 /nfs/dbraw/zinc/77/26/89/335772689.db2.gz DCIYJCXBMKRCBV-UHFFFAOYSA-N 0 3 295.386 2.664 20 30 CFEDHN C=CCCCCCNC(=O)N(C)CC1CCN(C)CC1 ZINC000581199599 336023584 /nfs/dbraw/zinc/02/35/84/336023584.db2.gz JVPRVKUAIRXZTD-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc3c2CCNC3)C1 ZINC000581298695 336041038 /nfs/dbraw/zinc/04/10/38/336041038.db2.gz LCYKILREHVOGQQ-JSGCOSHPSA-N 0 3 298.390 2.536 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC000582012531 336192106 /nfs/dbraw/zinc/19/21/06/336192106.db2.gz KHIVHAMJDZRJBW-MRXNPFEDSA-N 0 3 286.419 2.933 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085567560 782104181 /nfs/dbraw/zinc/10/41/81/782104181.db2.gz MDCAHPFDQZLCHX-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccncc1C ZINC001085588188 782108978 /nfs/dbraw/zinc/10/89/78/782108978.db2.gz GYKAYHABUSUBHY-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CCCC ZINC001085641741 782123180 /nfs/dbraw/zinc/12/31/80/782123180.db2.gz VXBNGQPZNSBDBA-HNNXBMFYSA-N 0 3 289.423 2.621 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085633097 782123541 /nfs/dbraw/zinc/12/35/41/782123541.db2.gz LWPBYXFYZMKKKO-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN CCC1(O)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000336092452 519846793 /nfs/dbraw/zinc/84/67/93/519846793.db2.gz XVDLIVFIVQXCDA-UHFFFAOYSA-N 0 3 258.365 2.604 20 30 CFEDHN CCOC[C@@H](NCc1cc(C#N)ccc1OC)C(C)C ZINC000233733489 520087824 /nfs/dbraw/zinc/08/78/24/520087824.db2.gz TVYCTZUCARVOPL-OAHLLOKOSA-N 0 3 276.380 2.718 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738652 782148211 /nfs/dbraw/zinc/14/82/11/782148211.db2.gz RMFAFZRLMKRLMB-YYIAUSFCSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000359550270 500574509 /nfs/dbraw/zinc/57/45/09/500574509.db2.gz XPHUFEKZCIWBSN-OLZOCXBDSA-N 0 3 264.369 2.791 20 30 CFEDHN Cn1cc(CN2CCC(CC#N)CC2)c(C(C)(C)C)n1 ZINC000543780547 501020836 /nfs/dbraw/zinc/02/08/36/501020836.db2.gz BNEREUKZIQUWEP-UHFFFAOYSA-N 0 3 274.412 2.843 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775414 782158285 /nfs/dbraw/zinc/15/82/85/782158285.db2.gz VNLQZRMZCNWLAA-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085781270 782160310 /nfs/dbraw/zinc/16/03/10/782160310.db2.gz QQFYAJKUZANJFK-HNNXBMFYSA-N 0 3 289.423 2.539 20 30 CFEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000348920200 534265654 /nfs/dbraw/zinc/26/56/54/534265654.db2.gz JBDSPHFXYCQOJS-DOMZBBRYSA-N 0 3 272.348 2.645 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349591778 534281584 /nfs/dbraw/zinc/28/15/84/534281584.db2.gz VHEPOPIJRSYKFA-UGFHNGPFSA-N 0 3 290.338 2.664 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000335935993 534282146 /nfs/dbraw/zinc/28/21/46/534282146.db2.gz RSCNERUCODLRRH-MRVPVSSYSA-N 0 3 254.692 2.597 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000347987522 534283660 /nfs/dbraw/zinc/28/36/60/534283660.db2.gz KYUQWWWJFZOGIA-ZJUUUORDSA-N 0 3 295.180 2.656 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1c2ccccc2CCC[C@H]1C ZINC000331410744 534285443 /nfs/dbraw/zinc/28/54/43/534285443.db2.gz JJVLIFAUSZYMEZ-LALPHHSUSA-N 0 3 256.349 2.976 20 30 CFEDHN COc1cc(CNC[C@H]2Cc3ccccc3O2)ccc1C#N ZINC000318807444 522461249 /nfs/dbraw/zinc/46/12/49/522461249.db2.gz IFUIWHDOUQGAEB-MRXNPFEDSA-N 0 3 294.354 2.660 20 30 CFEDHN COC1(CN2CCN(c3ccccc3C#N)CC2)CCCC1 ZINC000361496052 522603907 /nfs/dbraw/zinc/60/39/07/522603907.db2.gz IUNKVRFNQHMNIC-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192034227 522825244 /nfs/dbraw/zinc/82/52/44/522825244.db2.gz MSLMUEUGRUPKBR-CVEARBPZSA-N 0 3 276.355 2.823 20 30 CFEDHN CN(CCc1ccncc1)Cc1ccc(C#N)c(F)c1 ZINC000192142055 522979080 /nfs/dbraw/zinc/97/90/80/522979080.db2.gz FPCKJVMMTGNDHU-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN CC[C@@H](O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305852833 522990668 /nfs/dbraw/zinc/99/06/68/522990668.db2.gz VEFOEWBRSSBKQF-GXFFZTMASA-N 0 3 250.317 2.509 20 30 CFEDHN CC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000246270603 523334429 /nfs/dbraw/zinc/33/44/29/523334429.db2.gz RWGWPGYSZUOULX-CHWSQXEVSA-N 0 3 271.364 2.617 20 30 CFEDHN N#CCc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000332422564 534718630 /nfs/dbraw/zinc/71/86/30/534718630.db2.gz ABGPAGZGLMTVRI-UHFFFAOYSA-N 0 3 280.375 2.855 20 30 CFEDHN COCCN(Cc1ccc(C#N)o1)C[C@@H]1CC=CCC1 ZINC000361685998 523743710 /nfs/dbraw/zinc/74/37/10/523743710.db2.gz HMCBQOORHQWMOS-CQSZACIVSA-N 0 3 274.364 2.956 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000234839155 523759252 /nfs/dbraw/zinc/75/92/52/523759252.db2.gz GJZANJGSEWSBAW-ZIAGYGMSSA-N 0 3 262.328 2.600 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360068418 524155310 /nfs/dbraw/zinc/15/53/10/524155310.db2.gz IZHIBVXTEHBIFT-KMFMINBZSA-N 0 3 299.418 2.891 20 30 CFEDHN COc1cccc2c1CC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000191321530 524227802 /nfs/dbraw/zinc/22/78/02/524227802.db2.gz ZZJJINJWYYLCTI-MRXNPFEDSA-N 0 3 281.359 2.682 20 30 CFEDHN C[C@@H](CNc1nc2c(cc1C#N)CCC2)N1CCC[C@H](C)C1 ZINC000328706214 524760936 /nfs/dbraw/zinc/76/09/36/524760936.db2.gz AGWLZZFEPNDHFB-KBPBESRZSA-N 0 3 298.434 2.974 20 30 CFEDHN C[C@H]1Cc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000336081468 524997232 /nfs/dbraw/zinc/99/72/32/524997232.db2.gz CJAGVWPGZQLTEH-YVEFUNNKSA-N 0 3 265.360 2.920 20 30 CFEDHN C[C@@H](N[C@@H](C)CCCO)c1ccc(C#N)cc1F ZINC000305802843 525593697 /nfs/dbraw/zinc/59/36/97/525593697.db2.gz FEDMMPLPUVTGED-WDEREUQCSA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@@H](O)C[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000305005177 525819784 /nfs/dbraw/zinc/81/97/84/525819784.db2.gz BXBUGFJHRQMUNI-HIFRSBDPSA-N 0 3 284.359 2.796 20 30 CFEDHN C[C@H](C(=O)N(C)CC1(N(C)C)CCC1)c1cccc(C#N)c1 ZINC000360465463 525931037 /nfs/dbraw/zinc/93/10/37/525931037.db2.gz DQVRNISEBUUVAW-AWEZNQCLSA-N 0 3 299.418 2.604 20 30 CFEDHN CC(C(=O)N(C)c1ccc(C#N)cc1)C(F)(F)F ZINC000336166412 525945224 /nfs/dbraw/zinc/94/52/24/525945224.db2.gz HMRZRDIFFNIIBD-MRVPVSSYSA-N 0 3 256.227 2.719 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000339971494 526180330 /nfs/dbraw/zinc/18/03/30/526180330.db2.gz YOBXZHZDXXFDDA-OAHLLOKOSA-N 0 3 296.374 2.526 20 30 CFEDHN C=C(C)CCN1CCN(CCOc2ccccc2)CC1 ZINC000351896723 526446075 /nfs/dbraw/zinc/44/60/75/526446075.db2.gz FGBPIZGNZGLBCY-UHFFFAOYSA-N 0 3 274.408 2.649 20 30 CFEDHN C=CCNC(=O)CN1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000352792383 526543050 /nfs/dbraw/zinc/54/30/50/526543050.db2.gz MBRFFAOUINNIIV-HOCLYGCPSA-N 0 3 272.392 2.762 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]3COCC[C@@H]32)ccc1F ZINC000336455143 526547793 /nfs/dbraw/zinc/54/77/93/526547793.db2.gz VAKMEQDFCPPEGD-CJNGLKHVSA-N 0 3 274.339 2.698 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2F)CC1 ZINC000106035168 526600054 /nfs/dbraw/zinc/60/00/54/526600054.db2.gz VPOFHZMHRQCFLQ-UHFFFAOYSA-N 0 3 294.345 2.735 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000336440212 526616983 /nfs/dbraw/zinc/61/69/83/526616983.db2.gz BBPRDCANJCQNNU-UKRRQHHQSA-N 0 3 274.339 2.556 20 30 CFEDHN N#Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)o1 ZINC000174237696 526621599 /nfs/dbraw/zinc/62/15/99/526621599.db2.gz RKMWBOVEAYGRMF-UHFFFAOYSA-N 0 3 295.386 2.905 20 30 CFEDHN N#Cc1ccc(CNCCCC2CCOCC2)c(F)c1 ZINC000361432324 526622452 /nfs/dbraw/zinc/62/24/52/526622452.db2.gz MBFKMIKITYJLLO-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN C=C(C)CNCc1c(C(C)C)nc2sc(C)nn21 ZINC000352865891 526624762 /nfs/dbraw/zinc/62/47/62/526624762.db2.gz FKOIAOAIOHCEAG-UHFFFAOYSA-N 0 3 264.398 2.888 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000236058697 526624932 /nfs/dbraw/zinc/62/49/32/526624932.db2.gz IASWQWRMTNQWEO-CABCVRRESA-N 0 3 276.767 2.869 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)o1 ZINC000246186316 526626472 /nfs/dbraw/zinc/62/64/72/526626472.db2.gz DHHJSRIKWDXNJN-RRFJBIMHSA-N 0 3 272.348 2.589 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000350480242 526634206 /nfs/dbraw/zinc/63/42/06/526634206.db2.gz PZNITGWVBNCXFP-YQQAZPJKSA-N 0 3 286.419 2.630 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H](O)C(F)(F)F ZINC000360648144 526691563 /nfs/dbraw/zinc/69/15/63/526691563.db2.gz PGINXHPWKOOILO-UONOGXRCSA-N 0 3 298.308 2.839 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347326768 526699794 /nfs/dbraw/zinc/69/97/94/526699794.db2.gz WXSSTJXBNXGSIG-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000361635201 526702948 /nfs/dbraw/zinc/70/29/48/526702948.db2.gz AJZNEEZNIQKDQS-INIZCTEOSA-N 0 3 278.359 2.728 20 30 CFEDHN N#Cc1cccc(CNCc2ccc3c[nH]nc3c2)c1 ZINC000237847084 526709351 /nfs/dbraw/zinc/70/93/51/526709351.db2.gz FWNBBUNNASTYNM-UHFFFAOYSA-N 0 3 262.316 2.724 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347326779 526710927 /nfs/dbraw/zinc/71/09/27/526710927.db2.gz WXSSTJXBNXGSIG-ZFWWWQNUSA-N 0 3 264.413 2.722 20 30 CFEDHN Cc1nsc(NC[C@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000360960765 526714928 /nfs/dbraw/zinc/71/49/28/526714928.db2.gz LVASMEUZFPNKAK-QWRGUYRKSA-N 0 3 278.425 2.998 20 30 CFEDHN N#Cc1cccc(NC(=O)CN2CCCC23CCCC3)c1 ZINC000313821769 526715801 /nfs/dbraw/zinc/71/58/01/526715801.db2.gz BCLLAXHBLBQBOV-UHFFFAOYSA-N 0 3 283.375 2.905 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000334978210 526734673 /nfs/dbraw/zinc/73/46/73/526734673.db2.gz XXJJSUDCOACIFA-SJORKVTESA-N 0 3 270.376 2.807 20 30 CFEDHN C=CCOCCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000347965427 526748927 /nfs/dbraw/zinc/74/89/27/526748927.db2.gz LXRWJWNTVJNNDP-INIZCTEOSA-N 0 3 279.380 2.853 20 30 CFEDHN C=CCOCCCN1CCN(CC2CCCCC2)CC1 ZINC000347970289 526755831 /nfs/dbraw/zinc/75/58/31/526755831.db2.gz NGWLEYSTMATIST-UHFFFAOYSA-N 0 3 280.456 2.777 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](c2nc(C)no2)C1 ZINC000344860185 526934538 /nfs/dbraw/zinc/93/45/38/526934538.db2.gz VPBGQPUMKPSIQU-HNNXBMFYSA-N 0 3 299.374 2.932 20 30 CFEDHN C=CCOc1ccccc1CNCC1(C(=O)OCC)CC1 ZINC000351940609 526948681 /nfs/dbraw/zinc/94/86/81/526948681.db2.gz GIFIKMKJJAMFAF-UHFFFAOYSA-N 0 3 289.375 2.684 20 30 CFEDHN C=CCOc1ccccc1CNCc1[nH]ncc1C ZINC000352840967 526951164 /nfs/dbraw/zinc/95/11/64/526951164.db2.gz PZXSKHOEMSUAPJ-UHFFFAOYSA-N 0 3 257.337 2.573 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344717485 526988464 /nfs/dbraw/zinc/98/84/64/526988464.db2.gz AOMLWXKSIAXCHF-AWEZNQCLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@@H](CC)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000354782561 527054714 /nfs/dbraw/zinc/05/47/14/527054714.db2.gz ILHZPDYGKGVFBZ-ZIAGYGMSSA-N 0 3 293.411 2.847 20 30 CFEDHN C=CCCC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000367182196 527074715 /nfs/dbraw/zinc/07/47/15/527074715.db2.gz XUOLXZZXPMWAPL-SFHVURJKSA-N 0 3 286.419 2.981 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(F)cccc1CC ZINC000354580961 527077526 /nfs/dbraw/zinc/07/75/26/527077526.db2.gz DRZLTYYTQVKQPA-GFCCVEGCSA-N 0 3 251.345 2.662 20 30 CFEDHN C=CC[C@@H](CO)NC/C=C/c1ccc(F)cc1F ZINC000351600683 527100908 /nfs/dbraw/zinc/10/09/08/527100908.db2.gz DOCGYIZUIQBWKI-LQPUYASZSA-N 0 3 253.292 2.505 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(OC)nc1OC ZINC000353559968 527142035 /nfs/dbraw/zinc/14/20/35/527142035.db2.gz MOWDXLUCFSSHAG-RYUDHWBXSA-N 0 3 264.369 2.789 20 30 CFEDHN Cn1cc(CN2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000156362687 527197920 /nfs/dbraw/zinc/19/79/20/527197920.db2.gz NOJHROIFBJFULZ-UHFFFAOYSA-N 0 3 280.375 2.945 20 30 CFEDHN Cn1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cc1C#N ZINC000365129797 527222258 /nfs/dbraw/zinc/22/22/58/527222258.db2.gz CXKNKDKVCRAGHI-SJLPKXTDSA-N 0 3 295.386 2.764 20 30 CFEDHN C=CCc1cc(CN[C@@]2(C)CCO[C@@H]2C)cc(OC)c1O ZINC000344375015 527243678 /nfs/dbraw/zinc/24/36/78/527243678.db2.gz PIVWUWHIWZBIHW-PXAZEXFGSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417983237 527266851 /nfs/dbraw/zinc/26/68/51/527266851.db2.gz NVZOKTHXLJVIQO-HIFRSBDPSA-N 0 3 275.396 2.730 20 30 CFEDHN C=CCC[C@H](NCCN1CCO[C@H](CC)C1)c1ccco1 ZINC000353586135 527483572 /nfs/dbraw/zinc/48/35/72/527483572.db2.gz CCKKLCRKPAPQCC-CVEARBPZSA-N 0 3 292.423 2.987 20 30 CFEDHN Cn1nccc1[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000336255342 527625564 /nfs/dbraw/zinc/62/55/64/527625564.db2.gz PRDXLNYPPIWFPF-CQSZACIVSA-N 0 3 298.365 2.810 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000114723683 527642497 /nfs/dbraw/zinc/64/24/97/527642497.db2.gz OZUYUFVRGRMWRB-UHFFFAOYSA-N 0 3 269.348 2.561 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]1C)C(C)C ZINC000347774713 527650192 /nfs/dbraw/zinc/65/01/92/527650192.db2.gz JVDFLTVMUPAQAB-ARFHVFGLSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCSC1)C(C)C ZINC000354804653 527650320 /nfs/dbraw/zinc/65/03/20/527650320.db2.gz PQYSWHNQIKPENG-HUUCEWRRSA-N 0 3 296.480 2.554 20 30 CFEDHN CC(C)CN(CCc1ccccc1)C(=O)C(C)C#N ZINC000347062684 527942747 /nfs/dbraw/zinc/94/27/47/527942747.db2.gz GMIILECQBUHRTL-AWEZNQCLSA-N 0 3 258.365 2.873 20 30 CFEDHN CCO[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000414148215 528103735 /nfs/dbraw/zinc/10/37/35/528103735.db2.gz ROJGWAAKTCBVIM-RTXFEEFZSA-N 0 3 262.328 2.915 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352175786 528691333 /nfs/dbraw/zinc/69/13/33/528691333.db2.gz JAGFNDYCVMECJW-CQSZACIVSA-N 0 3 291.439 2.507 20 30 CFEDHN CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413041138 528988486 /nfs/dbraw/zinc/98/84/86/528988486.db2.gz UNBXXGDLWDPQCU-UHFFFAOYSA-N 0 3 288.351 2.671 20 30 CFEDHN CCO[C@@H]1CCCC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000449758335 535743485 /nfs/dbraw/zinc/74/34/85/535743485.db2.gz FZSFFAFHIDERPI-HZPDHXFCSA-N 0 3 298.390 2.643 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)[C@H](O)C(F)(F)F ZINC000443983760 535805705 /nfs/dbraw/zinc/80/57/05/535805705.db2.gz FXPOSFZBMKOVSP-OLZOCXBDSA-N 0 3 286.297 2.658 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000449773657 536524978 /nfs/dbraw/zinc/52/49/78/536524978.db2.gz JBFWTKVENHQRJY-AWEZNQCLSA-N 0 3 288.391 2.815 20 30 CFEDHN COC[C@@H](CC(C)C)NCc1ccc(C#N)c(F)c1 ZINC000449734232 536592138 /nfs/dbraw/zinc/59/21/38/536592138.db2.gz AMHZHWQDVCVWRT-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804487 782170059 /nfs/dbraw/zinc/17/00/59/782170059.db2.gz KTBZCNFRSMPVLT-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1Cc2ccccc2C1 ZINC001085837976 782178558 /nfs/dbraw/zinc/17/85/58/782178558.db2.gz XFRAAZKUXWVTAM-GOSISDBHSA-N 0 3 298.430 2.510 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001085847843 782184691 /nfs/dbraw/zinc/18/46/91/782184691.db2.gz MFAMEKJACRGEOG-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1sccc1C ZINC000753934893 574056141 /nfs/dbraw/zinc/05/61/41/574056141.db2.gz KYDDULMYFUDKCH-TXEJJXNPSA-N 0 3 276.409 2.641 20 30 CFEDHN CN(CCC#N)c1ccc(C=NNC2CCCC2)cc1 ZINC000727651946 574058784 /nfs/dbraw/zinc/05/87/84/574058784.db2.gz DYUKELLOFCXXAT-UHFFFAOYSA-N 0 3 270.380 2.903 20 30 CFEDHN CCN(CC)c1ccc(CN(C)C(=O)C(C)C#N)cc1 ZINC000736666309 574064661 /nfs/dbraw/zinc/06/46/61/574064661.db2.gz GXSJWDYBAXXYDB-ZDUSSCGKSA-N 0 3 273.380 2.651 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000736671702 574064758 /nfs/dbraw/zinc/06/47/58/574064758.db2.gz CBNCMASFVUFUAT-UWVGGRQHSA-N 0 3 250.729 2.547 20 30 CFEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000727955134 574074745 /nfs/dbraw/zinc/07/47/45/574074745.db2.gz YVMZQDMPOVAGRE-WFASDCNBSA-N 0 3 286.375 2.586 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000754256682 574084416 /nfs/dbraw/zinc/08/44/16/574084416.db2.gz YQBMDKPBVRNHHL-NSHDSACASA-N 0 3 276.340 2.723 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CC)C2CCCCC2)CC1 ZINC000751191533 574097276 /nfs/dbraw/zinc/09/72/76/574097276.db2.gz OVCICMSTVMMCPP-QGZVFWFLSA-N 0 3 290.451 2.807 20 30 CFEDHN COC(C)(C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000730917676 574103721 /nfs/dbraw/zinc/10/37/21/574103721.db2.gz ONVNRJAGMYPFNN-GFCCVEGCSA-N 0 3 268.316 2.836 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000728766612 574107229 /nfs/dbraw/zinc/10/72/29/574107229.db2.gz DEUPRNFDONZUIY-HZPDHXFCSA-N 0 3 298.386 2.827 20 30 CFEDHN C=CCN(C(=O)NCCN1CCCC[C@@H]1CC)C(C)C ZINC000737066863 574107432 /nfs/dbraw/zinc/10/74/32/574107432.db2.gz LNCWSXFJYPDRIP-HNNXBMFYSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCc1cc(C[N@@H+]2CC[C@H](C)C2)c([O-])c(OC)c1 ZINC000754729612 574116965 /nfs/dbraw/zinc/11/69/65/574116965.db2.gz CGVAJPJJSTZXOX-LBPRGKRZSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(C[N@H+]2CC[C@H](C)C2)c([O-])c(OC)c1 ZINC000754729612 574116966 /nfs/dbraw/zinc/11/69/66/574116966.db2.gz CGVAJPJJSTZXOX-LBPRGKRZSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CCCOC[C@@H]2C)c1[O-] ZINC000754739902 574117359 /nfs/dbraw/zinc/11/73/59/574117359.db2.gz GLGGXUMZEMJLJM-ZDUSSCGKSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CCCOC[C@@H]2C)c1[O-] ZINC000754739902 574117361 /nfs/dbraw/zinc/11/73/61/574117361.db2.gz GLGGXUMZEMJLJM-ZDUSSCGKSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCc1cc(OC)cc(CN2CCCOC[C@@H]2C)c1O ZINC000754739902 574117362 /nfs/dbraw/zinc/11/73/62/574117362.db2.gz GLGGXUMZEMJLJM-ZDUSSCGKSA-N 0 3 291.391 2.740 20 30 CFEDHN C#CCCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000745738604 574124645 /nfs/dbraw/zinc/12/46/45/574124645.db2.gz VUMRPYHTHRTGLA-RDJZCZTQSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCN(Cc1ccc(N(C)C)cc1)[C@@H](C)COC ZINC000746159217 574137653 /nfs/dbraw/zinc/13/76/53/574137653.db2.gz BYXCJDYUBRXUCL-AWEZNQCLSA-N 0 3 262.397 2.776 20 30 CFEDHN C[C@H]1CN(Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1C ZINC000751923538 574144776 /nfs/dbraw/zinc/14/47/76/574144776.db2.gz ABIBZWXUIGVXTL-KBPBESRZSA-N 0 3 280.375 2.967 20 30 CFEDHN CC[C@H]1CN(CC(=O)NCCC#N)CC[C@@H]1c1ccccc1 ZINC000746669354 574161249 /nfs/dbraw/zinc/16/12/49/574161249.db2.gz UJPIUTVJNIUIBC-RDJZCZTQSA-N 0 3 299.418 2.532 20 30 CFEDHN CCc1cc(CNCc2cccc(OCCCC#N)c2)n[nH]1 ZINC000738429962 574168533 /nfs/dbraw/zinc/16/85/33/574168533.db2.gz BMMKUNCVMWYEGJ-UHFFFAOYSA-N 0 3 298.390 2.944 20 30 CFEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000747108639 574180337 /nfs/dbraw/zinc/18/03/37/574180337.db2.gz IRZXIGBRZYYPTQ-VXNVDRBHSA-N 0 3 299.157 2.552 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000747404480 574194544 /nfs/dbraw/zinc/19/45/44/574194544.db2.gz LFTLZZNFNRUPJU-YPKPFQOOSA-N 0 3 276.424 2.583 20 30 CFEDHN C#CCCN1CCC(NC(=O)C=C2CCC(C)CC2)CC1 ZINC000747405065 574194651 /nfs/dbraw/zinc/19/46/51/574194651.db2.gz TXYIVJUZFXRDQW-UHFFFAOYSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCNC(=O)CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531536 574200252 /nfs/dbraw/zinc/20/02/52/574200252.db2.gz BMZWQLFQBKDQPC-STQMWFEESA-N 0 3 292.810 2.513 20 30 CFEDHN C=C(C)[C@@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000756011347 574204429 /nfs/dbraw/zinc/20/44/29/574204429.db2.gz GKVPESATPMNPNW-RISCZKNCSA-N 0 3 291.322 2.686 20 30 CFEDHN C#CCCOc1ccc(CNC[C@@H](O)CC(C)C)cc1 ZINC000733326134 574221850 /nfs/dbraw/zinc/22/18/50/574221850.db2.gz KQGCLSHYDWNRGI-INIZCTEOSA-N 0 3 275.392 2.585 20 30 CFEDHN C=CCC[C@@H](C)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000756358178 574228922 /nfs/dbraw/zinc/22/89/22/574228922.db2.gz UHWCTDYSKDPZNG-SNVBAGLBSA-N 0 3 268.307 2.848 20 30 CFEDHN C=CCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733678887 574250831 /nfs/dbraw/zinc/25/08/31/574250831.db2.gz NOSDWOMNEPDSTB-JTQLQIEISA-N 0 3 276.723 2.954 20 30 CFEDHN C#Cc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cn1 ZINC000748758621 574265222 /nfs/dbraw/zinc/26/52/22/574265222.db2.gz BJYQBPHPFDCCOT-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN CC(=NN=c1cc[nH]cc1Cl)c1nc2ccccc2n1C ZINC000756839804 574266601 /nfs/dbraw/zinc/26/66/01/574266601.db2.gz TZCGQKGNBWILTL-UHFFFAOYSA-N 0 3 299.765 2.880 20 30 CFEDHN C#CCN(CCOCCOc1ccccc1)C1CCCC1 ZINC000756912042 574272616 /nfs/dbraw/zinc/27/26/16/574272616.db2.gz SDAXPAIKVFFUCG-UHFFFAOYSA-N 0 3 287.403 2.960 20 30 CFEDHN N#Cc1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000740900732 574273830 /nfs/dbraw/zinc/27/38/30/574273830.db2.gz WAJLLHRKSRBJJA-CQSZACIVSA-N 0 3 272.373 2.833 20 30 CFEDHN CCC(CSc1ccc(Cl)cc1)N=NC(=N)N ZINC000734296636 574281034 /nfs/dbraw/zinc/28/10/34/574281034.db2.gz SNEGATSORDBUQQ-UHFFFAOYSA-N 0 3 270.789 2.681 20 30 CFEDHN C[C@@H]1CC(=NNCc2cc(F)ccc2F)CCN1C ZINC000741460717 574291247 /nfs/dbraw/zinc/29/12/47/574291247.db2.gz AHPGMJGKELUTMD-SNVBAGLBSA-N 0 3 267.323 2.525 20 30 CFEDHN C[C@@H]1CC(N=Nc2ncccc2C(F)(F)F)CCN1C ZINC000741460366 574291282 /nfs/dbraw/zinc/29/12/82/574291282.db2.gz OSCDXIVQXMZJBN-SECBINFHSA-N 0 3 286.301 2.982 20 30 CFEDHN CCCCCCCCOCC(=O)N1CCCN(CC)CC1 ZINC000741688804 574299073 /nfs/dbraw/zinc/29/90/73/574299073.db2.gz ZJHRFCIDCUJZIE-UHFFFAOYSA-N 0 3 298.471 2.918 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000735207234 574316383 /nfs/dbraw/zinc/31/63/83/574316383.db2.gz FVJAAMHZDFNSRF-VZUFXWRPSA-N 0 3 286.331 2.699 20 30 CFEDHN C#Cc1cccc(N(CC)C(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000742251845 574321323 /nfs/dbraw/zinc/32/13/23/574321323.db2.gz JXLYWIABAYFLTG-GJZGRUSLSA-N 0 3 284.403 2.894 20 30 CFEDHN C=CCC[N@@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413680 574322989 /nfs/dbraw/zinc/32/29/89/574322989.db2.gz XGPYOUOQSORJFF-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCC[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413680 574322990 /nfs/dbraw/zinc/32/29/90/574322990.db2.gz XGPYOUOQSORJFF-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCC[N@@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413680 574322991 /nfs/dbraw/zinc/32/29/91/574322991.db2.gz XGPYOUOQSORJFF-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCC[N@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413680 574322992 /nfs/dbraw/zinc/32/29/92/574322992.db2.gz XGPYOUOQSORJFF-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C[C@@H]1CCCN1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000742427842 574329879 /nfs/dbraw/zinc/32/98/79/574329879.db2.gz RDLIJZGMTCUZQG-SNVBAGLBSA-N 0 3 298.312 2.868 20 30 CFEDHN CO[C@H](C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000750391444 574337687 /nfs/dbraw/zinc/33/76/87/574337687.db2.gz RQHFKLVPUBQHTM-NXEZZACHSA-N 0 3 274.345 2.898 20 30 CFEDHN CCOCCCN1CCC(=NO[C@H]2CCCCO2)[C@@H](C)C1 ZINC000755817331 574346862 /nfs/dbraw/zinc/34/68/62/574346862.db2.gz KFKKRWOFNPKAKB-HOCLYGCPSA-N 0 3 298.427 2.654 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc(C(F)(F)F)n1 ZINC000755891989 574361292 /nfs/dbraw/zinc/36/12/92/574361292.db2.gz OYGGLUPCDFEJDR-SECBINFHSA-N 0 3 298.312 2.982 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccc(Cl)c(F)c1 ZINC000752165187 574388723 /nfs/dbraw/zinc/38/87/23/574388723.db2.gz GULWSPXFHZEJBU-QMMMGPOBSA-N 0 3 255.724 2.829 20 30 CFEDHN CC[C@@H]1C[C@@H](CN2CCC[C@](C)(C#N)C2)CCO1 ZINC000753585701 574405402 /nfs/dbraw/zinc/40/54/02/574405402.db2.gz AWGHJPVFMAAXQD-RRFJBIMHSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cccnc1Cl ZINC000775422293 628024423 /nfs/dbraw/zinc/02/44/23/628024423.db2.gz LUEJWIAIXIIDKC-GHMZBOCLSA-N 0 3 254.761 2.570 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000935662086 649927022 /nfs/dbraw/zinc/92/70/22/649927022.db2.gz ATXBQENOLDBVMN-MRXNPFEDSA-N 0 3 297.402 2.613 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000935663156 649927305 /nfs/dbraw/zinc/92/73/05/649927305.db2.gz PDKPBNBFKVCTMR-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900240150 620653029 /nfs/dbraw/zinc/65/30/29/620653029.db2.gz PAAHBGZAAIZTIP-CYBMUJFWSA-N 0 3 298.390 2.913 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](C)CC ZINC000819745512 606704528 /nfs/dbraw/zinc/70/45/28/606704528.db2.gz GYLYAGNQZBMRQU-ZDUSSCGKSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](C)CC ZINC000819745512 606704529 /nfs/dbraw/zinc/70/45/29/606704529.db2.gz GYLYAGNQZBMRQU-ZDUSSCGKSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](C)CC ZINC000819745512 606704532 /nfs/dbraw/zinc/70/45/32/606704532.db2.gz GYLYAGNQZBMRQU-ZDUSSCGKSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](C)CC ZINC000819745512 606704533 /nfs/dbraw/zinc/70/45/33/606704533.db2.gz GYLYAGNQZBMRQU-ZDUSSCGKSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823888846 609341722 /nfs/dbraw/zinc/34/17/22/609341722.db2.gz YOGPHAVGEUTELC-UWVGGRQHSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823888846 609341723 /nfs/dbraw/zinc/34/17/23/609341723.db2.gz YOGPHAVGEUTELC-UWVGGRQHSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823888848 609341904 /nfs/dbraw/zinc/34/19/04/609341904.db2.gz YOGPHAVGEUTELC-ZJUUUORDSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823888848 609341905 /nfs/dbraw/zinc/34/19/05/609341905.db2.gz YOGPHAVGEUTELC-ZJUUUORDSA-N 0 3 275.331 2.621 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2coc3ccccc23)C1 ZINC000970973069 612995970 /nfs/dbraw/zinc/99/59/70/612995970.db2.gz PTFZAKXKGZQAAH-CYBMUJFWSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970947480 612996425 /nfs/dbraw/zinc/99/64/25/612996425.db2.gz KSVOXSBNWVDXDQ-AWEZNQCLSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1occc1C ZINC000968750438 613001246 /nfs/dbraw/zinc/00/12/46/613001246.db2.gz NJRPDGIMEKTVKB-OAHLLOKOSA-N 0 3 288.391 2.586 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000982071855 613004481 /nfs/dbraw/zinc/00/44/81/613004481.db2.gz LATZKFZTAOUHSS-MRXNPFEDSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965860431 613013206 /nfs/dbraw/zinc/01/32/06/613013206.db2.gz JZFFUVZNNWQIRD-KGLIPLIRSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965453635 613013609 /nfs/dbraw/zinc/01/36/09/613013609.db2.gz UVRCTZTZCNZKEK-WBVHZDCISA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968215024 613023908 /nfs/dbraw/zinc/02/39/08/613023908.db2.gz UWRCIAWYQSWSLU-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972787531 613036778 /nfs/dbraw/zinc/03/67/78/613036778.db2.gz CAICGSMQNPQPIQ-INIZCTEOSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977450709 613037257 /nfs/dbraw/zinc/03/72/57/613037257.db2.gz OEODSFWZVZSYET-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000977577073 613038741 /nfs/dbraw/zinc/03/87/41/613038741.db2.gz RMKOOSRUYIXCSB-KRWDZBQOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000948541324 613161211 /nfs/dbraw/zinc/16/12/11/613161211.db2.gz DQOSUQQYPQIRSZ-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000942136124 613222268 /nfs/dbraw/zinc/22/22/68/613222268.db2.gz IHVYEDUNRJXAHM-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1C ZINC000948086628 613223291 /nfs/dbraw/zinc/22/32/91/613223291.db2.gz RJJUWSLAETTZHU-UONOGXRCSA-N 0 3 290.451 2.661 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C[C@@H]1C ZINC000947666412 613235995 /nfs/dbraw/zinc/23/59/95/613235995.db2.gz FTYGORYKVSTPBZ-MAUKXSAKSA-N 0 3 298.430 2.855 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000945224312 613237141 /nfs/dbraw/zinc/23/71/41/613237141.db2.gz QTXKYYPNOXCGDK-KBXCAEBGSA-N 0 3 296.414 2.637 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)C[C@H]1C ZINC000947399215 613257357 /nfs/dbraw/zinc/25/73/57/613257357.db2.gz DKVUBTCCZUHECH-CVEARBPZSA-N 0 3 290.451 2.949 20 30 CFEDHN C=C(C)CCN1CC[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968464825 613265131 /nfs/dbraw/zinc/26/51/31/613265131.db2.gz MKAXBTKQCUIKOA-CHWSQXEVSA-N 0 3 293.436 2.550 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)C[C@H]1C ZINC000947666413 613268403 /nfs/dbraw/zinc/26/84/03/613268403.db2.gz FTYGORYKVSTPBZ-QAPCUYQASA-N 0 3 298.430 2.855 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)C[C@H]1C ZINC000947998573 613268408 /nfs/dbraw/zinc/26/84/08/613268408.db2.gz MJIJECCLKASBMT-WBVHZDCISA-N 0 3 284.403 2.519 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970699892 613298306 /nfs/dbraw/zinc/29/83/06/613298306.db2.gz OOOZXISCMWBOBZ-HIFRSBDPSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970939837 613299082 /nfs/dbraw/zinc/29/90/82/613299082.db2.gz YVSWGPJKLRIXNW-VXTDNTOSSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000970657460 613299327 /nfs/dbraw/zinc/29/93/27/613299327.db2.gz NFDWGIMEZQIFCH-GFCCVEGCSA-N 0 3 287.407 2.518 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970830112 613300024 /nfs/dbraw/zinc/30/00/24/613300024.db2.gz OYDHDJBMDNRHBH-CQSZACIVSA-N 0 3 286.419 2.875 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969841022 613300342 /nfs/dbraw/zinc/30/03/42/613300342.db2.gz FHYRNEZMGQJQHZ-LLVKDONJSA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970539611 613302556 /nfs/dbraw/zinc/30/25/56/613302556.db2.gz GBHUMSHEBNBXMM-QGTPRVQTSA-N 0 3 298.430 2.803 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000970382706 613302684 /nfs/dbraw/zinc/30/26/84/613302684.db2.gz JCFKNPOJHIGGLF-QRTARXTBSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970308443 613303070 /nfs/dbraw/zinc/30/30/70/613303070.db2.gz DDLUVYXSQBZQTG-ZDUSSCGKSA-N 0 3 289.423 2.593 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC000969227895 613303729 /nfs/dbraw/zinc/30/37/29/613303729.db2.gz RNNRRKFARZJRNU-AWEZNQCLSA-N 0 3 272.392 2.621 20 30 CFEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ccco1 ZINC000968726745 613306796 /nfs/dbraw/zinc/30/67/96/613306796.db2.gz AGFPYLQWFAFKFX-CQSZACIVSA-N 0 3 276.380 2.830 20 30 CFEDHN 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Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccoc1 ZINC000175936400 618079621 /nfs/dbraw/zinc/07/96/21/618079621.db2.gz LKAFNQZAJKNWDA-CYBMUJFWSA-N 0 3 293.326 2.975 20 30 CFEDHN C#CCOc1ccc(CN[C@](C)(CO)c2ccccc2)cc1 ZINC000237633824 618106984 /nfs/dbraw/zinc/10/69/84/618106984.db2.gz FYVMXXZUGBJXJJ-LJQANCHMSA-N 0 3 295.382 2.696 20 30 CFEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccncc1 ZINC000034992783 617607468 /nfs/dbraw/zinc/60/74/68/617607468.db2.gz MOCUGKSDMRXDJZ-CYBMUJFWSA-N 0 3 267.332 2.835 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001022133802 617645890 /nfs/dbraw/zinc/64/58/90/617645890.db2.gz ACAKZNHEDAKQKF-TXEJJXNPSA-N 0 3 298.839 2.968 20 30 CFEDHN C=CC[C@H]1CCN1C(=O)CN(C)CCCCCC ZINC000890558501 617650357 /nfs/dbraw/zinc/65/03/57/617650357.db2.gz SFFMVOPHQWKCOM-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccsc1 ZINC000121612041 617790107 /nfs/dbraw/zinc/79/01/07/617790107.db2.gz OHRLCJQKKZUUBL-WCQYABFASA-N 0 3 292.404 2.867 20 30 CFEDHN CCOC(=O)[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000932642392 617913659 /nfs/dbraw/zinc/91/36/59/617913659.db2.gz CZXGZCRWXLMPPV-WFASDCNBSA-N 0 3 272.348 2.504 20 30 CFEDHN CNC(=O)C[C@@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926345172 617940786 /nfs/dbraw/zinc/94/07/86/617940786.db2.gz NTVAWXPWFBZUSE-UKRRQHHQSA-N 0 3 287.407 2.782 20 30 CFEDHN CNC(=O)C[C@H](N[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926345169 617940920 /nfs/dbraw/zinc/94/09/20/617940920.db2.gz NTVAWXPWFBZUSE-HIFRSBDPSA-N 0 3 287.407 2.782 20 30 CFEDHN Cc1cccnc1[C@H](NCCOCCC#N)C(C)(C)C ZINC000934290050 617988399 /nfs/dbraw/zinc/98/83/99/617988399.db2.gz UTYXAYMONNUIDC-HNNXBMFYSA-N 0 3 275.396 2.997 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001022700039 618003203 /nfs/dbraw/zinc/00/32/03/618003203.db2.gz YKSFECTYRADWNN-RTXFEEFZSA-N 0 3 298.839 2.841 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1CCOC12CCCC2 ZINC000934386717 618026367 /nfs/dbraw/zinc/02/63/67/618026367.db2.gz PMALCRUGCOJPTH-MRXNPFEDSA-N 0 3 286.375 2.758 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001022823286 618091767 /nfs/dbraw/zinc/09/17/67/618091767.db2.gz AZJIYIIZYYGPBY-UPJWGTAASA-N 0 3 296.798 2.681 20 30 CFEDHN C=CCCCN(CC)CCCS(=O)(=O)C(C)(C)C ZINC000934646499 618102124 /nfs/dbraw/zinc/10/21/24/618102124.db2.gz GYRAOHGMHNKQGL-UHFFFAOYSA-N 0 3 275.458 2.878 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC001022910773 618119956 /nfs/dbraw/zinc/11/99/56/618119956.db2.gz HHYGMUJBICQPMJ-XGUBFFRZSA-N 0 3 296.842 2.802 20 30 CFEDHN C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021723273 618129160 /nfs/dbraw/zinc/12/91/60/618129160.db2.gz SYIBLFKZXMNPQB-QZTJIDSGSA-N 0 3 296.414 2.555 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](OCC)C1 ZINC000155481478 618147974 /nfs/dbraw/zinc/14/79/74/618147974.db2.gz UCNZVHHFHFRPDG-MRXNPFEDSA-N 0 3 273.376 2.700 20 30 CFEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)oc1C ZINC000128725670 618163689 /nfs/dbraw/zinc/16/36/89/618163689.db2.gz YZXMANVHKLLWDE-ZDUSSCGKSA-N 0 3 282.299 2.858 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001023290738 618178383 /nfs/dbraw/zinc/17/83/83/618178383.db2.gz AUOUIBHXPHOEJS-AWEZNQCLSA-N 0 3 290.451 2.520 20 30 CFEDHN C=C(Br)CN[C@H](C)Cc1ccc(O)cc1 ZINC000168210860 618186250 /nfs/dbraw/zinc/18/62/50/618186250.db2.gz HBEDYAAKUINKPA-SNVBAGLBSA-N 0 3 270.170 2.821 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001023443990 618190286 /nfs/dbraw/zinc/19/02/86/618190286.db2.gz YVISZYRFKBXEIA-IRXDYDNUSA-N 0 3 288.435 2.584 20 30 CFEDHN C=CCC1(CN[C@@H](C)c2cc(CO)on2)CCCC1 ZINC000926543142 618192046 /nfs/dbraw/zinc/19/20/46/618192046.db2.gz VTZMFTXPWIAEDI-LBPRGKRZSA-N 0 3 264.369 2.954 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccccc2Cl)CCC1 ZINC000933299414 618194091 /nfs/dbraw/zinc/19/40/91/618194091.db2.gz VDFAZRFWCUFTOJ-UHFFFAOYSA-N 0 3 276.767 2.814 20 30 CFEDHN C#CCC1(NCc2cn3c(cccc3C)n2)CCC1 ZINC000933301020 618194498 /nfs/dbraw/zinc/19/44/98/618194498.db2.gz IPSMETZZCPXZTP-UHFFFAOYSA-N 0 3 253.349 2.678 20 30 CFEDHN C#CCC1(NCC(=O)Nc2cccc(C)c2C)CCC1 ZINC000933302323 618195188 /nfs/dbraw/zinc/19/51/88/618195188.db2.gz DYCTZZCJIJBTAP-UHFFFAOYSA-N 0 3 270.376 2.778 20 30 CFEDHN C#CCC1(NCC(=O)Nc2cccc(SC)c2)CCC1 ZINC000933302218 618195206 /nfs/dbraw/zinc/19/52/06/618195206.db2.gz OBTAUOZYRNTBAQ-UHFFFAOYSA-N 0 3 288.416 2.883 20 30 CFEDHN C=C(Br)CN[C@H](C)c1ccccc1O ZINC000162198883 618210755 /nfs/dbraw/zinc/21/07/55/618210755.db2.gz UPNCHHUJQBFCLF-SECBINFHSA-N 0 3 256.143 2.951 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001023648333 618211526 /nfs/dbraw/zinc/21/15/26/618211526.db2.gz WKRAKAOWDPOCPM-CQSZACIVSA-N 0 3 290.432 2.522 20 30 CFEDHN N#Cc1cc(CNC2([C@H]3CCCCO3)CC2)ccc1F ZINC000933377631 618214898 /nfs/dbraw/zinc/21/48/98/618214898.db2.gz DXLKFFUGICDAPG-OAHLLOKOSA-N 0 3 274.339 2.889 20 30 CFEDHN C#CCCCCCN1CCOc2ccccc2[C@@H]1CO ZINC000933384558 618216957 /nfs/dbraw/zinc/21/69/57/618216957.db2.gz NEWUFMICUMJEDI-INIZCTEOSA-N 0 3 273.376 2.608 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC001022122191 618221492 /nfs/dbraw/zinc/22/14/92/618221492.db2.gz QVPLUBIVMGZOAZ-DOERSZECSA-N 0 3 284.831 2.802 20 30 CFEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@H](C)N1CC#N ZINC000930826770 618286785 /nfs/dbraw/zinc/28/67/85/618286785.db2.gz ABJWLSAZXPNICZ-IYBDPMFKSA-N 0 3 288.439 2.769 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1F ZINC001024305649 618289513 /nfs/dbraw/zinc/28/95/13/618289513.db2.gz VZWRFRBLNAVLRL-CQSZACIVSA-N 0 3 290.382 2.986 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1C ZINC001024307435 618289670 /nfs/dbraw/zinc/28/96/70/618289670.db2.gz UKQYJOXIIZBXJL-INIZCTEOSA-N 0 3 284.403 2.603 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cnn(C3CCC3)c2)C1 ZINC000895102051 618293164 /nfs/dbraw/zinc/29/31/64/618293164.db2.gz SILSEUDEUAZHLW-CQSZACIVSA-N 0 3 257.381 2.843 20 30 CFEDHN C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001024336871 618295433 /nfs/dbraw/zinc/29/54/33/618295433.db2.gz ISQIAYPNOYXRFR-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001024336871 618295437 /nfs/dbraw/zinc/29/54/37/618295437.db2.gz ISQIAYPNOYXRFR-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398577 618306905 /nfs/dbraw/zinc/30/69/05/618306905.db2.gz QWPOUQSJQSIWLC-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCCCCCC ZINC000892466115 618309731 /nfs/dbraw/zinc/30/97/31/618309731.db2.gz YIHRCPVDPRJLSB-CYBMUJFWSA-N 0 3 278.396 2.994 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001024503273 618335507 /nfs/dbraw/zinc/33/55/07/618335507.db2.gz YRXCFLGBWVBXFK-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN CN(Cc1cccc(F)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674371 618339496 /nfs/dbraw/zinc/33/94/96/618339496.db2.gz LQXYPMGKKLPLOH-KRWDZBQOSA-N 0 3 284.334 2.863 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001024546955 618360281 /nfs/dbraw/zinc/36/02/81/618360281.db2.gz GQKLSIVVPWJLST-HNNXBMFYSA-N 0 3 297.402 2.710 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000931026201 618371576 /nfs/dbraw/zinc/37/15/76/618371576.db2.gz SDLFQGXJZFIJDK-SJORKVTESA-N 0 3 285.391 2.734 20 30 CFEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000894139331 618388010 /nfs/dbraw/zinc/38/80/10/618388010.db2.gz LXGAABGAADIRBO-AWEZNQCLSA-N 0 3 288.391 2.541 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cnc(Cl)s2)C1 ZINC000895152404 618397571 /nfs/dbraw/zinc/39/75/71/618397571.db2.gz AEPYQPOUVUYASZ-DTWKUNHWSA-N 0 3 255.774 2.968 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cnc(Cl)s2)C1 ZINC000895152405 618398103 /nfs/dbraw/zinc/39/81/03/618398103.db2.gz AEPYQPOUVUYASZ-IUCAKERBSA-N 0 3 255.774 2.968 20 30 CFEDHN N#CC[C@@H](O)CNC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000931099541 618412489 /nfs/dbraw/zinc/41/24/89/618412489.db2.gz HTOSZQMIPBHJMU-CYBMUJFWSA-N 0 3 298.308 2.949 20 30 CFEDHN O=C1[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)CCCN1[O-] ZINC000895163302 618412807 /nfs/dbraw/zinc/41/28/07/618412807.db2.gz SWEIOMDSCPEFER-GPANFISMSA-N 0 3 288.391 2.683 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024612126 618416784 /nfs/dbraw/zinc/41/67/84/618416784.db2.gz LFRBPOXDPUTELC-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024633593 618426969 /nfs/dbraw/zinc/42/69/69/618426969.db2.gz LJRUPINLUVGYJS-QGZVFWFLSA-N 0 3 288.435 2.727 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024663033 618435727 /nfs/dbraw/zinc/43/57/27/618435727.db2.gz DMTKDKTWUGAYRP-QLFBSQMISA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@H]1SCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877608570 618447316 /nfs/dbraw/zinc/44/73/16/618447316.db2.gz UMKFAXRTLTYOFQ-LDYMZIIASA-N 0 3 267.785 2.590 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024704693 618448777 /nfs/dbraw/zinc/44/87/77/618448777.db2.gz QKRSRTNFGQESRB-OWCLPIDISA-N 0 3 276.424 2.579 20 30 CFEDHN N#Cc1csc(CNC[C@H](O)c2cccc(F)c2)c1 ZINC000177691289 618472810 /nfs/dbraw/zinc/47/28/10/618472810.db2.gz JGJMUURULKPDCE-AWEZNQCLSA-N 0 3 276.336 2.582 20 30 CFEDHN CC[C@H](COCC1CC1)NCC#Cc1ccccc1 ZINC000895314016 618530290 /nfs/dbraw/zinc/53/02/90/618530290.db2.gz PVAJRPWJKPJTMK-QGZVFWFLSA-N 0 3 257.377 2.833 20 30 CFEDHN C=CCCSCCNCc1c(C)noc1CC ZINC000895329361 618535085 /nfs/dbraw/zinc/53/50/85/618535085.db2.gz FLCLLMJQYANHFK-UHFFFAOYSA-N 0 3 254.399 2.944 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc2c1NCCC2 ZINC000895349937 618544211 /nfs/dbraw/zinc/54/42/11/618544211.db2.gz KQKZPMKYHCDSMV-UHFFFAOYSA-N 0 3 272.392 2.516 20 30 CFEDHN C=CCOCCC[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000895377812 618556818 /nfs/dbraw/zinc/55/68/18/618556818.db2.gz OKDDXHDTAYESEO-UHFFFAOYSA-N 0 3 255.745 2.728 20 30 CFEDHN C#CC1(O)CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC000895379652 618558492 /nfs/dbraw/zinc/55/84/92/618558492.db2.gz MQJZAAZZCDBRKJ-UHFFFAOYSA-N 0 3 298.430 2.637 20 30 CFEDHN C#CC1(O)CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000895383489 618560313 /nfs/dbraw/zinc/56/03/13/618560313.db2.gz WPTQCUXOWUEVKN-UHFFFAOYSA-N 0 3 299.414 2.968 20 30 CFEDHN CC[C@@H](C#N)Oc1cccc(CNc2nc(C)cc(N)n2)c1 ZINC000892527787 618609889 /nfs/dbraw/zinc/60/98/89/618609889.db2.gz WSFHWVKQDJYDBZ-ZDUSSCGKSA-N 0 3 297.362 2.660 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC)c(Br)c1 ZINC000229898128 618647711 /nfs/dbraw/zinc/64/77/11/618647711.db2.gz VPDANYOXGNWCOP-NSHDSACASA-N 0 3 282.181 2.959 20 30 CFEDHN N#Cc1ccc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000110258933 618718813 /nfs/dbraw/zinc/71/88/13/618718813.db2.gz LRTVQCOPRTUZTQ-CYBMUJFWSA-N 0 3 275.783 2.886 20 30 CFEDHN C[C@]1(Br)C[C@@H]1CNCc1ccc(C#N)cc1F ZINC000892909992 618768064 /nfs/dbraw/zinc/76/80/64/618768064.db2.gz BSBBURLOYYBETI-YPMHNXCESA-N 0 3 297.171 2.960 20 30 CFEDHN CC(C)(C#N)CN[C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926874604 618778523 /nfs/dbraw/zinc/77/85/23/618778523.db2.gz RGJGPQJAMJYHFF-HIFRSBDPSA-N 0 3 257.381 2.932 20 30 CFEDHN C#CCCN(CCOC)CCc1c(F)cccc1Cl ZINC000852751963 618780612 /nfs/dbraw/zinc/78/06/12/618780612.db2.gz KRCGNLYNUUKGSE-UHFFFAOYSA-N 0 3 283.774 2.993 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(C(C)(C)C)oc1C ZINC000893569056 619074555 /nfs/dbraw/zinc/07/45/55/619074555.db2.gz YLRCOOUMKSSABX-CYBMUJFWSA-N 0 3 251.370 2.912 20 30 CFEDHN COc1ccc2nccc(NCC3(CC#N)CC3)c2c1 ZINC000893648226 619143676 /nfs/dbraw/zinc/14/36/76/619143676.db2.gz DLADVURIWFMWOE-UHFFFAOYSA-N 0 3 267.332 2.771 20 30 CFEDHN C=CCCCCNCc1cn(Cc2ccccc2)nn1 ZINC000893654819 619146571 /nfs/dbraw/zinc/14/65/71/619146571.db2.gz HUPPUKTXSMYGAC-UHFFFAOYSA-N 0 3 270.380 2.772 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N)ncc1Cl ZINC000893660327 619148556 /nfs/dbraw/zinc/14/85/56/619148556.db2.gz XUIQPPCOLUCCBK-NOZJJQNGSA-N 0 3 267.760 2.710 20 30 CFEDHN Cc1ccc(C[C@H](CO)NCC#Cc2ccccc2)cc1 ZINC000893933983 619247151 /nfs/dbraw/zinc/24/71/51/619247151.db2.gz YGXQLEFGBYIHMP-LJQANCHMSA-N 0 3 279.383 2.540 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1csc(C#N)c1 ZINC000894484115 619398504 /nfs/dbraw/zinc/39/85/04/619398504.db2.gz CHRCAZCFPMVFLW-AWEZNQCLSA-N 0 3 264.394 2.747 20 30 CFEDHN OC[C@]1(CNCC#Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000894538298 619413470 /nfs/dbraw/zinc/41/34/70/619413470.db2.gz NVYWUYVGRAKSMD-WOJBJXKFSA-N 0 3 291.394 2.794 20 30 CFEDHN N#CCC1(CNCc2cccc3c2NCCC3)CC1 ZINC000894645182 619435004 /nfs/dbraw/zinc/43/50/04/619435004.db2.gz OOXOHZSXIRIFNH-UHFFFAOYSA-N 0 3 255.365 2.828 20 30 CFEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928434368 619473573 /nfs/dbraw/zinc/47/35/73/619473573.db2.gz CVMFDPIWWWHOPP-GXTWGEPZSA-N 0 3 290.432 2.787 20 30 CFEDHN C#CC1(NCc2ccc(O)c(OCC)c2)CCCC1 ZINC000895674872 619579673 /nfs/dbraw/zinc/57/96/73/619579673.db2.gz HMMZZLPMQAASQD-UHFFFAOYSA-N 0 3 259.349 2.827 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3ccncc3s2)CC1 ZINC000895669505 619582294 /nfs/dbraw/zinc/58/22/94/619582294.db2.gz BZTKKHVHRJFQNQ-UHFFFAOYSA-N 0 3 286.400 2.647 20 30 CFEDHN C[C@H]1[C@@H](Nc2ncc(C#N)c3ccsc32)CCN1C ZINC000895736502 619597519 /nfs/dbraw/zinc/59/75/19/619597519.db2.gz JUILDARGBQQIOJ-CABZTGNLSA-N 0 3 272.377 2.672 20 30 CFEDHN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000895785161 619606324 /nfs/dbraw/zinc/60/63/24/619606324.db2.gz REQSFVMPNWIZMN-RCCPXBDUSA-N 0 3 275.783 2.988 20 30 CFEDHN C#CCN1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000895809519 619609798 /nfs/dbraw/zinc/60/97/98/619609798.db2.gz YGZJXFDRIYTAOM-UHFFFAOYSA-N 0 3 283.350 2.883 20 30 CFEDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000841898547 619682268 /nfs/dbraw/zinc/68/22/68/619682268.db2.gz NQPCFVYZLOGDFI-OLZOCXBDSA-N 0 3 295.427 2.962 20 30 CFEDHN N#Cc1ccc(N[C@H]2CCCN(C[C@H]3CCC=CO3)C2)nc1 ZINC000896655561 619784210 /nfs/dbraw/zinc/78/42/10/619784210.db2.gz ZFUJNQXZHDZJHG-JKSUJKDBSA-N 0 3 298.390 2.522 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCC[C@H](C(F)(F)F)O2)n1 ZINC000896823991 619831376 /nfs/dbraw/zinc/83/13/76/619831376.db2.gz QMVVIXVJTBNFKJ-CHWSQXEVSA-N 0 3 299.296 2.543 20 30 CFEDHN CC#CCN(CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000121294952 619962490 /nfs/dbraw/zinc/96/24/90/619962490.db2.gz OVCLXDJZCMMLEM-INIZCTEOSA-N 0 3 263.356 2.840 20 30 CFEDHN N#CCOc1ccc(CNCc2cccs2)cc1 ZINC000034991927 620004119 /nfs/dbraw/zinc/00/41/19/620004119.db2.gz UBOURQIMVATEMC-UHFFFAOYSA-N 0 3 258.346 2.940 20 30 CFEDHN C#CCCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000169044563 620073994 /nfs/dbraw/zinc/07/39/94/620073994.db2.gz HKKLKFMRKDVVET-UHFFFAOYSA-N 0 3 262.784 2.875 20 30 CFEDHN CC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1[O-] ZINC000925262383 620091955 /nfs/dbraw/zinc/09/19/55/620091955.db2.gz CCTRYNSYKAETDR-ZFWWWQNUSA-N 0 3 296.374 2.585 20 30 CFEDHN C[C@@H]1C[C@@H]1c1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897398339 620095786 /nfs/dbraw/zinc/09/57/86/620095786.db2.gz BASKKUMMIGDABX-DOMZBBRYSA-N 0 3 296.374 2.871 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2c(C)oc3ccccc32)C1 ZINC000988880267 620226324 /nfs/dbraw/zinc/22/63/24/620226324.db2.gz RCUPXVGFQKAYQC-GXTWGEPZSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2c(C)oc3ccccc32)C1 ZINC000988880270 620226431 /nfs/dbraw/zinc/22/64/31/620226431.db2.gz RCUPXVGFQKAYQC-TZMCWYRMSA-N 0 3 296.370 2.567 20 30 CFEDHN C[C@@H](CCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000897629892 620264037 /nfs/dbraw/zinc/26/40/37/620264037.db2.gz ZYSVMXVGJZKWAZ-ZETCQYMHSA-N 0 3 263.288 2.835 20 30 CFEDHN C=C1CCC(C(=O)N2CCCN(C)C[C@@H]2CC)CC1 ZINC000897631375 620264488 /nfs/dbraw/zinc/26/44/88/620264488.db2.gz WNVYZKRTCPZPKY-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000989708642 620387083 /nfs/dbraw/zinc/38/70/83/620387083.db2.gz VMXXWGZRQNSAQG-PBHICJAKSA-N 0 3 298.430 2.810 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2sccc2C(F)F)C1 ZINC000989734294 620388327 /nfs/dbraw/zinc/38/83/27/620388327.db2.gz SOCZTWDYXCSFQJ-UWVGGRQHSA-N 0 3 298.358 2.512 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccsc2C(F)F)C1 ZINC000989734337 620388526 /nfs/dbraw/zinc/38/85/26/620388526.db2.gz SYTCJZIAGDHITC-NXEZZACHSA-N 0 3 298.358 2.512 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000989760999 620390369 /nfs/dbraw/zinc/39/03/69/620390369.db2.gz NMHPVNTWEQUBAA-UHFFFAOYSA-N 0 3 290.382 2.880 20 30 CFEDHN C#CCCN1CCCN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000989754718 620391308 /nfs/dbraw/zinc/39/13/08/620391308.db2.gz YGTHPTCSEZUMBS-HZPDHXFCSA-N 0 3 290.451 2.616 20 30 CFEDHN CCC(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989867248 620396332 /nfs/dbraw/zinc/39/63/32/620396332.db2.gz ORJZHQTVSHTWLK-AEFFLSMTSA-N 0 3 297.402 2.581 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccccc3F)CCC[C@H]12 ZINC000989903249 620399735 /nfs/dbraw/zinc/39/97/35/620399735.db2.gz LJYOVLJTEOJSBV-DOTOQJQBSA-N 0 3 288.366 2.739 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989913606 620401740 /nfs/dbraw/zinc/40/17/40/620401740.db2.gz UBKAFTIHVCVSJF-HOCLYGCPSA-N 0 3 274.364 2.583 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)oc3C)CCC[C@H]12 ZINC000989945585 620404818 /nfs/dbraw/zinc/40/48/18/620404818.db2.gz NRQRCCWSAWQRJT-RDJZCZTQSA-N 0 3 288.391 2.809 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccsc3C)CCC[C@@H]12 ZINC000990587478 620432854 /nfs/dbraw/zinc/43/28/54/620432854.db2.gz IQAPPTARJMFPAR-ZBFHGGJFSA-N 0 3 290.432 2.969 20 30 CFEDHN C(#Cc1ccccc1)CNCCOC1CCSCC1 ZINC000898434198 620464140 /nfs/dbraw/zinc/46/41/40/620464140.db2.gz ITFKMSWPRVRCBF-UHFFFAOYSA-N 0 3 275.417 2.540 20 30 CFEDHN CC1(C)CC[C@@H](CCNC[C@@H](C#N)CCC#N)OC1 ZINC000901655168 620884011 /nfs/dbraw/zinc/88/40/11/620884011.db2.gz TVBIDWRTZJJHQI-KGLIPLIRSA-N 0 3 263.385 2.615 20 30 CFEDHN CC1(C)CC[C@H](CCNC[C@@H](C#N)CCC#N)OC1 ZINC000901655171 620884039 /nfs/dbraw/zinc/88/40/39/620884039.db2.gz TVBIDWRTZJJHQI-ZIAGYGMSSA-N 0 3 263.385 2.615 20 30 CFEDHN C=CCCCN(CC)CN1C[C@H](c2cccnc2)CC1=O ZINC000902670188 621148200 /nfs/dbraw/zinc/14/82/00/621148200.db2.gz ZGVVJXCKEGYKOR-MRXNPFEDSA-N 0 3 287.407 2.643 20 30 CFEDHN C[C@H](NCCOc1ccccc1)c1cc(C#N)ccn1 ZINC000902725104 621158490 /nfs/dbraw/zinc/15/84/90/621158490.db2.gz PKMGKUANDXNDGV-ZDUSSCGKSA-N 0 3 267.332 2.683 20 30 CFEDHN Cc1ccc(OCCN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902724921 621158518 /nfs/dbraw/zinc/15/85/18/621158518.db2.gz LWORELMGZUHEGH-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN C[C@H](NCCN(C)c1ccccc1)c1cc(C#N)ccn1 ZINC000902736950 621161738 /nfs/dbraw/zinc/16/17/38/621161738.db2.gz YRHHLIRPIKUJSG-AWEZNQCLSA-N 0 3 280.375 2.740 20 30 CFEDHN C[C@@H](N[C@H]1COc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902779182 621171560 /nfs/dbraw/zinc/17/15/60/621171560.db2.gz QPSUQMFYCIKYFK-IUODEOHRSA-N 0 3 279.343 2.608 20 30 CFEDHN CCc1nc(CCN[C@@H](C)c2cc(C#N)ccn2)cs1 ZINC000902786723 621176159 /nfs/dbraw/zinc/17/61/59/621176159.db2.gz RZBOSOCUHHXMHG-NSHDSACASA-N 0 3 286.404 2.865 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1cc(C#N)ccn1 ZINC000902815317 621185319 /nfs/dbraw/zinc/18/53/19/621185319.db2.gz ULACDDYIUWBYOM-IAQYHMDHSA-N 0 3 287.388 2.573 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1cccc(C#N)c1 ZINC000902872159 621193231 /nfs/dbraw/zinc/19/32/31/621193231.db2.gz XBGLHNRPJVBDME-CVEARBPZSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CCC[C@@H](NCc1ccn(C)n1)[C@@]1(C)CCCCO1 ZINC000902891431 621200829 /nfs/dbraw/zinc/20/08/29/621200829.db2.gz SBFJIGWJBHTURT-HZPDHXFCSA-N 0 3 277.412 2.804 20 30 CFEDHN Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902967440 621211142 /nfs/dbraw/zinc/21/11/42/621211142.db2.gz VDOQBHFGKKGCSU-YOEHRIQHSA-N 0 3 295.386 2.516 20 30 CFEDHN CC[C@@H](NC1COC(C)(C)OC1)c1cccc(C#N)c1 ZINC000902950154 621212598 /nfs/dbraw/zinc/21/25/98/621212598.db2.gz FBFGSDCNABNZOY-OAHLLOKOSA-N 0 3 274.364 2.750 20 30 CFEDHN Cc1cccc(CCN[C@H](C)c2cc(C#N)ccn2)n1 ZINC000902975946 621215604 /nfs/dbraw/zinc/21/56/04/621215604.db2.gz LGAHSZXMZREPHX-CYBMUJFWSA-N 0 3 266.348 2.550 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000902981116 621217252 /nfs/dbraw/zinc/21/72/52/621217252.db2.gz ICAUMWSPAUPIPF-WHOFXGATSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@H](N[C@H](CCO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902982275 621217347 /nfs/dbraw/zinc/21/73/47/621217347.db2.gz YZJLGOYRQJHLHH-WMLDXEAASA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)c1ccccc1 ZINC000902995179 621217729 /nfs/dbraw/zinc/21/77/29/621217729.db2.gz WDQVGQWWWKKMMP-OGHNNQOOSA-N 0 3 281.359 2.726 20 30 CFEDHN CCc1ccc([C@H](O)CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902986674 621217990 /nfs/dbraw/zinc/21/79/90/621217990.db2.gz FFQYHOBHIZMRAH-SCLBCKFNSA-N 0 3 295.386 2.900 20 30 CFEDHN C[C@H](Cc1ccccn1)N[C@H](C)c1cc(C#N)ccn1 ZINC000903043600 621232878 /nfs/dbraw/zinc/23/28/78/621232878.db2.gz DCWYGFNZSJCDAL-CHWSQXEVSA-N 0 3 266.348 2.630 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903055643 621235413 /nfs/dbraw/zinc/23/54/13/621235413.db2.gz CEYZJZYSKNOCJU-QWQRMKEZSA-N 0 3 295.386 2.768 20 30 CFEDHN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903051283 621242038 /nfs/dbraw/zinc/24/20/38/621242038.db2.gz HZKFXDWHCHAHSZ-MBNYWOFBSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@@H](NC[C@@H]1CCC2(CCC2)O1)c1cc(C#N)ccn1 ZINC000903089917 621248807 /nfs/dbraw/zinc/24/88/07/621248807.db2.gz WYKGDPUTZHHHGG-OCCSQVGLSA-N 0 3 271.364 2.706 20 30 CFEDHN C[C@@H](NCC(C)(C)C#N)[C@H]1COc2ccccc2C1 ZINC000903101704 621253594 /nfs/dbraw/zinc/25/35/94/621253594.db2.gz LDOYCZMBJUHVQG-TZMCWYRMSA-N 0 3 258.365 2.766 20 30 CFEDHN CC1(C)[C@H](NCC2(C#N)CCCC2)[C@@H]2CCCO[C@H]21 ZINC000903109261 621256476 /nfs/dbraw/zinc/25/64/76/621256476.db2.gz LRHZPHYJDREINY-BFHYXJOUSA-N 0 3 262.397 2.864 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000903126014 621261547 /nfs/dbraw/zinc/26/15/47/621261547.db2.gz QGOFFDKZFXQZLA-CQSZACIVSA-N 0 3 277.412 2.927 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903125615 621261582 /nfs/dbraw/zinc/26/15/82/621261582.db2.gz NTWBATNRWXIMDI-LBPRGKRZSA-N 0 3 294.351 2.847 20 30 CFEDHN C[C@H](NC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cc(C#N)ccn1 ZINC000903176971 621275167 /nfs/dbraw/zinc/27/51/67/621275167.db2.gz WPBCEWOOLOLZNJ-XHVZSJERSA-N 0 3 299.296 2.714 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2nccc3c2CCCC3)C1 ZINC000903180904 621276935 /nfs/dbraw/zinc/27/69/35/621276935.db2.gz AQPAOWHUAYBGBK-OCCSQVGLSA-N 0 3 255.365 2.742 20 30 CFEDHN CN(C)c1ccnc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000903198545 621282725 /nfs/dbraw/zinc/28/27/25/621282725.db2.gz MAQSEECTDXPMKP-GOSISDBHSA-N 0 3 292.386 2.796 20 30 CFEDHN CC[C@H](NCc1cnn(CCF)c1)c1ccc(C#N)cc1 ZINC000903273928 621309406 /nfs/dbraw/zinc/30/94/06/621309406.db2.gz FZPRDFPYZNFTSJ-INIZCTEOSA-N 0 3 286.354 2.965 20 30 CFEDHN CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCCN1C(C)C ZINC000904679011 621621322 /nfs/dbraw/zinc/62/13/22/621621322.db2.gz WXKBYZNANWJBJD-AWEZNQCLSA-N 0 3 279.428 2.790 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080942 621690939 /nfs/dbraw/zinc/69/09/39/621690939.db2.gz ONJHNBHGSJIWNP-XNFYSYIQSA-N 0 3 269.304 2.518 20 30 CFEDHN CC(C)Oc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080464 621691128 /nfs/dbraw/zinc/69/11/28/621691128.db2.gz LARLGAGKMMLJFT-KSSSLANASA-N 0 3 283.331 2.906 20 30 CFEDHN CCc1cccc(F)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905084688 621692168 /nfs/dbraw/zinc/69/21/68/621692168.db2.gz KIDIBRNOFQLXGT-MDXIRLPMSA-N 0 3 271.295 2.821 20 30 CFEDHN C=CC[C@H](NC[C@](O)(CC)C(F)(F)F)c1ccncc1 ZINC000905122452 621704011 /nfs/dbraw/zinc/70/40/11/621704011.db2.gz ZHSRULJBNRGHNG-QWHCGFSZSA-N 0 3 288.313 2.992 20 30 CFEDHN C=C(CNC[C@@](O)(CC)C(F)(F)F)c1ccccc1 ZINC000905261201 621729216 /nfs/dbraw/zinc/72/92/16/621729216.db2.gz GSJIBFDGJZINRA-ZDUSSCGKSA-N 0 3 273.298 2.993 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CCCC1(F)F ZINC000905779873 621846365 /nfs/dbraw/zinc/84/63/65/621846365.db2.gz DUQRNFLPDOYSAN-NEPJUHHUSA-N 0 3 255.312 2.845 20 30 CFEDHN CCCCCCCCN1CCN(CCOC)CC1 ZINC000192937907 621872662 /nfs/dbraw/zinc/87/26/62/621872662.db2.gz UAPXEEBFVQEPHQ-UHFFFAOYSA-N 0 3 256.434 2.611 20 30 CFEDHN N#Cc1cc([O-])ccc1-c1cncc([C@H]2CCC[NH2+]2)c1 ZINC000906179222 621946049 /nfs/dbraw/zinc/94/60/49/621946049.db2.gz VFWUYBMUZBEIHB-MRXNPFEDSA-N 0 3 265.316 2.750 20 30 CFEDHN C#CCC1(O)CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906597497 622020054 /nfs/dbraw/zinc/02/00/54/622020054.db2.gz PAUFCVGVRZXQQJ-HOTGVXAUSA-N 0 3 273.351 2.532 20 30 CFEDHN CC(C)(C#N)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907294867 622109234 /nfs/dbraw/zinc/10/92/34/622109234.db2.gz JIJBWLPLWGQSOO-UHFFFAOYSA-N 0 3 284.363 2.570 20 30 CFEDHN CCCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@H]1CCN(C)C1 ZINC000911513301 622525606 /nfs/dbraw/zinc/52/56/06/622525606.db2.gz XUOGNLQKXDBGTJ-INIZCTEOSA-N 0 3 299.418 2.731 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000911646490 622533025 /nfs/dbraw/zinc/53/30/25/622533025.db2.gz SDTJEPNQSQATDM-AWEZNQCLSA-N 0 3 287.407 2.909 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000911882035 622569182 /nfs/dbraw/zinc/56/91/82/622569182.db2.gz ISPUOKXJHDKTHI-UZZMVUAXSA-N 0 3 276.424 2.755 20 30 CFEDHN CC(C)(C(=O)N1Cc2cccc(C#N)c2C1)N1CCCCC1 ZINC000911921991 622575792 /nfs/dbraw/zinc/57/57/92/622575792.db2.gz AVHFOSLEMYXXIR-UHFFFAOYSA-N 0 3 297.402 2.665 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1Cl ZINC000911906386 622580390 /nfs/dbraw/zinc/58/03/90/622580390.db2.gz CZWWSILGZXPGGK-NSHDSACASA-N 0 3 252.745 2.962 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000912065787 622616037 /nfs/dbraw/zinc/61/60/37/622616037.db2.gz JEGXBNKFNKMCMX-AWEZNQCLSA-N 0 3 280.799 2.682 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC=C)Cc1cccs1 ZINC000912082742 622621430 /nfs/dbraw/zinc/62/14/30/622621430.db2.gz ZLAWRBFOVQPZSX-AWEZNQCLSA-N 0 3 278.421 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCCCc1ccccc1 ZINC000912166826 622654806 /nfs/dbraw/zinc/65/48/06/622654806.db2.gz PZHLLHVYNMVQOA-INIZCTEOSA-N 0 3 274.408 2.809 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000912171458 622655760 /nfs/dbraw/zinc/65/57/60/622655760.db2.gz XCIJSFYVEUFTRU-HZPDHXFCSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CC1 ZINC000912173019 622656139 /nfs/dbraw/zinc/65/61/39/622656139.db2.gz FZAUBAZJTRCWJY-OAHLLOKOSA-N 0 3 272.392 2.518 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000912197069 622660213 /nfs/dbraw/zinc/66/02/13/622660213.db2.gz GEMOIBUEWDVBEP-WOPDTQHZSA-N 0 3 292.345 2.907 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000912205983 622661184 /nfs/dbraw/zinc/66/11/84/622661184.db2.gz CEIIQJMXNMCTMP-HOTGVXAUSA-N 0 3 272.392 2.816 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(F)cc1F ZINC000912215227 622662056 /nfs/dbraw/zinc/66/20/56/622662056.db2.gz UQZKHEJOEVJGHV-AWEZNQCLSA-N 0 3 282.334 2.607 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000912230405 622664884 /nfs/dbraw/zinc/66/48/84/622664884.db2.gz SSHBHRXAFOPUTO-AWEZNQCLSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(OC(C)C)c1 ZINC000912262690 622668455 /nfs/dbraw/zinc/66/84/55/622668455.db2.gz XVRJVTRMMARCOY-MRXNPFEDSA-N 0 3 290.407 2.774 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC000912279889 622673731 /nfs/dbraw/zinc/67/37/31/622673731.db2.gz CDEWSYCJVRNHDM-BFHYXJOUSA-N 0 3 252.402 2.578 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)NCC1CCOCC1 ZINC000912443311 622710775 /nfs/dbraw/zinc/71/07/75/622710775.db2.gz XNNCUAZEWOTZSJ-OAHLLOKOSA-N 0 3 284.444 2.607 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000912466061 622715067 /nfs/dbraw/zinc/71/50/67/622715067.db2.gz OBUYAAKQXDWTDU-NVXWUHKLSA-N 0 3 286.419 2.906 20 30 CFEDHN CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@@H](C)C#N ZINC000912687536 622760092 /nfs/dbraw/zinc/76/00/92/622760092.db2.gz RAQAWUMGIGCDMD-LBPRGKRZSA-N 0 3 284.363 2.665 20 30 CFEDHN C#CC[C@@H](NC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC000821340461 622898069 /nfs/dbraw/zinc/89/80/69/622898069.db2.gz YOLQCQIEMBZVIQ-MRXNPFEDSA-N 0 3 286.419 2.845 20 30 CFEDHN C#CCOc1ccccc1OCCN1CCCCC1 ZINC000194393184 625606690 /nfs/dbraw/zinc/60/66/90/625606690.db2.gz LASYNKMWJCTNSQ-UHFFFAOYSA-N 0 3 259.349 2.563 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)C#CC(C)C)c1ccsc1 ZINC000821917380 623007993 /nfs/dbraw/zinc/00/79/93/623007993.db2.gz CLNHOGUTLZKRCR-HNNXBMFYSA-N 0 3 292.448 2.907 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC(CNCC(C)(C)C#N)CC1 ZINC000168921604 623109002 /nfs/dbraw/zinc/10/90/02/623109002.db2.gz CPFSOUHOPGTFOC-UHFFFAOYSA-N 0 3 295.427 2.773 20 30 CFEDHN C#CCSCCNCc1cc(Cl)cc2c1OCC2 ZINC000228558563 623150031 /nfs/dbraw/zinc/15/00/31/623150031.db2.gz QMIMWJPDBDAIIS-UHFFFAOYSA-N 0 3 281.808 2.731 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCCN(CCCCC#N)C1 ZINC000171033930 623202116 /nfs/dbraw/zinc/20/21/16/623202116.db2.gz VLELHXPSALXQHN-ZDUSSCGKSA-N 0 3 281.400 2.669 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)C1CC1 ZINC000823617574 623363591 /nfs/dbraw/zinc/36/35/91/623363591.db2.gz KFXVXQFAGRHCFE-LBPRGKRZSA-N 0 3 256.349 2.920 20 30 CFEDHN C#C[C@H](NCc1ccc2c(c1)OCCCCO2)C(C)C ZINC000824364120 623496034 /nfs/dbraw/zinc/49/60/34/623496034.db2.gz RVTPFXIRGFTCNH-HNNXBMFYSA-N 0 3 273.376 2.985 20 30 CFEDHN CC(C)(CCC#N)CNCc1cc(F)ncc1F ZINC000824396380 623500557 /nfs/dbraw/zinc/50/05/57/623500557.db2.gz PIZLZZVHXHDGPA-UHFFFAOYSA-N 0 3 253.296 2.779 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000925391379 623526341 /nfs/dbraw/zinc/52/63/41/623526341.db2.gz XEHIUCRCLFJIBO-STQMWFEESA-N 0 3 273.380 2.932 20 30 CFEDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000824683770 623545656 /nfs/dbraw/zinc/54/56/56/623545656.db2.gz UZUOAFJVLRIRST-RYUDHWBXSA-N 0 3 260.337 2.573 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992975677 623824064 /nfs/dbraw/zinc/82/40/64/623824064.db2.gz YHXYTDCGNUCZKE-CJNGLKHVSA-N 0 3 290.382 2.985 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC000993040066 623861859 /nfs/dbraw/zinc/86/18/59/623861859.db2.gz ZGYFNTZUZUDXBZ-HUUCEWRRSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000826915872 623904144 /nfs/dbraw/zinc/90/41/44/623904144.db2.gz YHIZHOWPJSPVEH-UHFFFAOYSA-N 0 3 267.682 2.758 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C=C2CCC2)[C@H]1C ZINC000993181984 623987850 /nfs/dbraw/zinc/98/78/50/623987850.db2.gz DCHNDWVURCWKOT-UKRRQHHQSA-N 0 3 262.397 2.642 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993183117 623988890 /nfs/dbraw/zinc/98/88/90/623988890.db2.gz KZQJEDUACUCBTD-ZIAGYGMSSA-N 0 3 290.451 2.661 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2CC2)cc1 ZINC000193489030 624027827 /nfs/dbraw/zinc/02/78/27/624027827.db2.gz OKFZRXFOYTXEFN-OAHLLOKOSA-N 0 3 299.418 2.972 20 30 CFEDHN C#C[C@@H](NCc1ccc(OCC)c(F)c1)C1CCOCC1 ZINC000827559180 624030909 /nfs/dbraw/zinc/03/09/09/624030909.db2.gz CFMRTUCGUJQMKY-MRXNPFEDSA-N 0 3 291.366 2.742 20 30 CFEDHN C#C[C@H](NCc1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000827569839 624034467 /nfs/dbraw/zinc/03/44/67/624034467.db2.gz GZCUXNLEVUJYAJ-AWEZNQCLSA-N 0 3 283.293 2.622 20 30 CFEDHN C#C[C@@H](NCc1cccc2c1OC(C)(C)C2)C1CCOCC1 ZINC000827571181 624035804 /nfs/dbraw/zinc/03/58/04/624035804.db2.gz VYALGHWDSVWQHR-QGZVFWFLSA-N 0 3 299.414 2.918 20 30 CFEDHN C#C[C@@H](NCc1ccccc1OCC)C1CCOCC1 ZINC000827571307 624036779 /nfs/dbraw/zinc/03/67/79/624036779.db2.gz YTQAUSJONBNLOB-MRXNPFEDSA-N 0 3 273.376 2.603 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000993216575 624044933 /nfs/dbraw/zinc/04/49/33/624044933.db2.gz PZVKPVUDCJYXEF-WCQYABFASA-N 0 3 286.366 2.577 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993239430 624056897 /nfs/dbraw/zinc/05/68/97/624056897.db2.gz VSWDRPDNMOYONG-UKRRQHHQSA-N 0 3 292.398 2.776 20 30 CFEDHN C#CCCN(C/C=C/c1ccccc1OC)CCOC ZINC000827823434 624102391 /nfs/dbraw/zinc/10/23/91/624102391.db2.gz OWJIVCFPZAZNNG-CSKARUKUSA-N 0 3 273.376 2.680 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993335463 624115000 /nfs/dbraw/zinc/11/50/00/624115000.db2.gz TYISESCGMUKAMR-HIFRSBDPSA-N 0 3 288.391 2.502 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C ZINC000993524435 624149675 /nfs/dbraw/zinc/14/96/75/624149675.db2.gz UGBRFNRTQFGZPJ-AAEUAGOBSA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC000993567628 624152220 /nfs/dbraw/zinc/15/22/20/624152220.db2.gz KTFJHUPXWRCNKD-CZUORRHYSA-N 0 3 297.402 2.937 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993704162 624163186 /nfs/dbraw/zinc/16/31/86/624163186.db2.gz PZNKTSHDOOZQRT-CRAIPNDOSA-N 0 3 298.430 2.855 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2nccs2)[C@H]1C ZINC000994061233 624178535 /nfs/dbraw/zinc/17/85/35/624178535.db2.gz OOBKKDJJIPLXKT-CHWSQXEVSA-N 0 3 293.436 2.692 20 30 CFEDHN CN(CCC#N)c1ccc(CNCc2cccnc2)cc1 ZINC000072658861 625703999 /nfs/dbraw/zinc/70/39/99/625703999.db2.gz TZUXIHUYWOSJRR-UHFFFAOYSA-N 0 3 280.375 2.721 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000929940635 624256647 /nfs/dbraw/zinc/25/66/47/624256647.db2.gz HHRSOIFWNKWILG-CZUORRHYSA-N 0 3 285.391 2.608 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994271346 624267352 /nfs/dbraw/zinc/26/73/52/624267352.db2.gz BNRIAYIZSVTHGS-WBVHZDCISA-N 0 3 284.403 2.601 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994328825 624276149 /nfs/dbraw/zinc/27/61/49/624276149.db2.gz OBKZMMYWURPNFF-FUHWJXTLSA-N 0 3 298.430 2.909 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994348419 624276963 /nfs/dbraw/zinc/27/69/63/624276963.db2.gz IFZDULNCBDEHIS-CRAIPNDOSA-N 0 3 298.430 2.855 20 30 CFEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916900211 624290947 /nfs/dbraw/zinc/29/09/47/624290947.db2.gz MDOSPYLJMPEWMI-NSHDSACASA-N 0 3 280.274 2.769 20 30 CFEDHN CCCCSCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895640 624291890 /nfs/dbraw/zinc/29/18/90/624291890.db2.gz OCPMBNSQQXHGEG-CYBMUJFWSA-N 0 3 296.436 2.677 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)c1cc(OC)ccc1OC ZINC000916968110 624296628 /nfs/dbraw/zinc/29/66/28/624296628.db2.gz OLKJHBTUMFRWHL-HNNXBMFYSA-N 0 3 279.380 2.635 20 30 CFEDHN C=CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000917069133 624306778 /nfs/dbraw/zinc/30/67/78/624306778.db2.gz JBFMPGQFXKRXRC-UHFFFAOYSA-N 0 3 264.325 3.000 20 30 CFEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917097256 624310691 /nfs/dbraw/zinc/31/06/91/624310691.db2.gz JNFPANHQDAPINH-GFCCVEGCSA-N 0 3 299.399 2.957 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000829784773 624536710 /nfs/dbraw/zinc/53/67/10/624536710.db2.gz NLNCRXBSRWOTLF-CVEARBPZSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccccc2C(=O)OC)C1 ZINC000829810327 624549260 /nfs/dbraw/zinc/54/92/60/624549260.db2.gz NXGCMPGTODJTBM-CQSZACIVSA-N 0 3 271.360 2.709 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000830311719 624705793 /nfs/dbraw/zinc/70/57/93/624705793.db2.gz UBUCUHATUPUVKP-HZPDHXFCSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CC1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1 ZINC000830333950 624712689 /nfs/dbraw/zinc/71/26/89/624712689.db2.gz QQBHVVJPERTCLQ-UHFFFAOYSA-N 0 3 297.354 2.647 20 30 CFEDHN C#CC1CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000830350395 624718579 /nfs/dbraw/zinc/71/85/79/624718579.db2.gz BLFLXMVWNALIAI-UHFFFAOYSA-N 0 3 258.365 2.552 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H]1CC1(Cl)Cl ZINC000920956884 624788014 /nfs/dbraw/zinc/78/80/14/624788014.db2.gz YEXPXXZCBGXGMO-GFCCVEGCSA-N 0 3 284.186 2.982 20 30 CFEDHN N#Cc1cc(CNC[C@H]2COc3ccccc3O2)cs1 ZINC000921478934 624908561 /nfs/dbraw/zinc/90/85/61/624908561.db2.gz XQBVKXDHOYTGJR-LBPRGKRZSA-N 0 3 286.356 2.549 20 30 CFEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000175107314 624927147 /nfs/dbraw/zinc/92/71/47/624927147.db2.gz XNIWWLMLSFLNER-ZDUSSCGKSA-N 0 3 282.299 2.858 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175113676 624927502 /nfs/dbraw/zinc/92/75/02/624927502.db2.gz GMWZPQNOFJTQPW-RKDXNWHRSA-N 0 3 298.795 2.738 20 30 CFEDHN C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000179890225 624982082 /nfs/dbraw/zinc/98/20/82/624982082.db2.gz BNISLIZHDKLSHH-CYBMUJFWSA-N 0 3 282.343 2.993 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(=O)oc2cc(C)ccc12 ZINC000831679281 625094886 /nfs/dbraw/zinc/09/48/86/625094886.db2.gz SNGIFZIPYCWAAJ-CABCVRRESA-N 0 3 285.343 2.535 20 30 CFEDHN CO[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000831744860 625113484 /nfs/dbraw/zinc/11/34/84/625113484.db2.gz SEEXAJYLZXEXTD-UKRRQHHQSA-N 0 3 294.782 2.899 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000834760343 625838954 /nfs/dbraw/zinc/83/89/54/625838954.db2.gz IUVZCUWFHHZYSC-DGCLKSJQSA-N 0 3 299.461 2.877 20 30 CFEDHN CCOC(=O)C(C)(C)ON=Cc1c(C)cc(N)cc1C ZINC000835004898 625952583 /nfs/dbraw/zinc/95/25/83/625952583.db2.gz GBZNEHXDRJNOJI-UHFFFAOYSA-N 0 3 278.352 2.578 20 30 CFEDHN CC(=NN[C@H]1CCOC1(C)C)c1ccccc1N(C)C ZINC000835015503 625961518 /nfs/dbraw/zinc/96/15/18/625961518.db2.gz DZRCJPKOHJFPLD-HNNXBMFYSA-N 0 3 275.396 2.634 20 30 CFEDHN CC(=NN[C@@H]1CCOC1(C)C)c1ccccc1N(C)C ZINC000835015504 625961569 /nfs/dbraw/zinc/96/15/69/625961569.db2.gz DZRCJPKOHJFPLD-OAHLLOKOSA-N 0 3 275.396 2.634 20 30 CFEDHN CC1(C)OCC[C@@H]1NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000835017957 625964023 /nfs/dbraw/zinc/96/40/23/625964023.db2.gz SEAFSESTYDCRJQ-HOTGVXAUSA-N 0 3 293.455 2.928 20 30 CFEDHN N#Cc1ccc(Br)c(CNC2CCOCC2)c1 ZINC000921554494 625986020 /nfs/dbraw/zinc/98/60/20/625986020.db2.gz BIZKGORYIPCJGU-UHFFFAOYSA-N 0 3 295.180 2.589 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015987425 625986809 /nfs/dbraw/zinc/98/68/09/625986809.db2.gz IXJHDMBZRDXDQG-KGLIPLIRSA-N 0 3 292.448 2.927 20 30 CFEDHN N#Cc1cc(CNCCN2CCc3ccccc32)cs1 ZINC000921607576 625992835 /nfs/dbraw/zinc/99/28/35/625992835.db2.gz GLRDGDVYKVFZBP-UHFFFAOYSA-N 0 3 283.400 2.772 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCC=CCC2)CC1 ZINC000997422715 625995013 /nfs/dbraw/zinc/99/50/13/625995013.db2.gz YCDBHHBVZGDUGB-OAHLLOKOSA-N 0 3 288.435 2.583 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@H]2CC=CCC2)CC1 ZINC000997474295 625997905 /nfs/dbraw/zinc/99/79/05/625997905.db2.gz INBCQICRUCHHCA-RDJZCZTQSA-N 0 3 288.435 2.583 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997908536 626020819 /nfs/dbraw/zinc/02/08/19/626020819.db2.gz KWYUKAPBRPAPQM-HNNXBMFYSA-N 0 3 288.391 2.620 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C)o2)CC1 ZINC000997921452 626022330 /nfs/dbraw/zinc/02/23/30/626022330.db2.gz OMNILLJXEYPIKB-HNNXBMFYSA-N 0 3 288.391 2.538 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2occc2C)CC1 ZINC000997929457 626023294 /nfs/dbraw/zinc/02/32/94/626023294.db2.gz QZTMVLXZEJQELO-HNNXBMFYSA-N 0 3 288.391 2.538 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2=CCCC2)CC1 ZINC000997963707 626024945 /nfs/dbraw/zinc/02/49/45/626024945.db2.gz BUDVMHBKYTVUKV-QGZVFWFLSA-N 0 3 288.435 2.823 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000998121471 626032573 /nfs/dbraw/zinc/03/25/73/626032573.db2.gz QWAGFINEFSPWOK-IXDOHACOSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC000998984268 626064549 /nfs/dbraw/zinc/06/45/49/626064549.db2.gz RJCGUHNKPLZXKU-JXQTWKCFSA-N 0 3 296.842 2.898 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC000999002763 626064956 /nfs/dbraw/zinc/06/49/56/626064956.db2.gz JJGBCINJSKGNIH-UHFFFAOYSA-N 0 3 292.810 2.561 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000999146105 626066646 /nfs/dbraw/zinc/06/66/46/626066646.db2.gz SLQNFVVDHFYYIY-XZNOPERXSA-N 0 3 282.815 2.508 20 30 CFEDHN C[C@H](NCc1csc(C#N)c1)[C@H](O)c1ccc(F)cc1 ZINC000921750477 626105658 /nfs/dbraw/zinc/10/56/58/626105658.db2.gz RIQUAMRBQLMPGA-BONVTDFDSA-N 0 3 290.363 2.971 20 30 CFEDHN C=CC[C@@H](C)NCc1csc(-c2ccn(C)n2)n1 ZINC000921753314 626108652 /nfs/dbraw/zinc/10/86/52/626108652.db2.gz CDFBTNGWIXMFMN-SNVBAGLBSA-N 0 3 262.382 2.598 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001016200614 626113123 /nfs/dbraw/zinc/11/31/23/626113123.db2.gz WROSNWJCPAGVAL-CYBMUJFWSA-N 0 3 292.448 2.999 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001000677804 626129510 /nfs/dbraw/zinc/12/95/10/626129510.db2.gz IQYTWAJKNCQMFF-INIZCTEOSA-N 0 3 288.435 2.891 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CNCc1ccn(C)c1 ZINC000921812078 626137831 /nfs/dbraw/zinc/13/78/31/626137831.db2.gz QLWBZMDCJGKWTA-UHFFFAOYSA-N 0 3 253.349 2.803 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001001003013 626139136 /nfs/dbraw/zinc/13/91/36/626139136.db2.gz YQMVCGLPYKKBHA-CQSZACIVSA-N 0 3 298.377 2.746 20 30 CFEDHN C=C[C@H](C(=O)N1CCC[C@H](NCCF)C1)c1ccccc1 ZINC001000985203 626139470 /nfs/dbraw/zinc/13/94/70/626139470.db2.gz VSZQJNQHOGANNU-HOTGVXAUSA-N 0 3 290.382 2.506 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001001124070 626146082 /nfs/dbraw/zinc/14/60/82/626146082.db2.gz BXQGDXIUWZVYFW-HZPDHXFCSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc3[nH]ccc32)CC1 ZINC001001196271 626149046 /nfs/dbraw/zinc/14/90/46/626149046.db2.gz SXFKSAZDGDNDEV-UHFFFAOYSA-N 0 3 295.386 2.716 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001001171961 626149118 /nfs/dbraw/zinc/14/91/18/626149118.db2.gz RBXUESNTNWSVQO-HZPDHXFCSA-N 0 3 276.424 2.603 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C)cc2F)CC1 ZINC001001198796 626149137 /nfs/dbraw/zinc/14/91/37/626149137.db2.gz KPZJLKKNZOZHMM-UHFFFAOYSA-N 0 3 288.366 2.682 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2csc(Cl)c2)CC1 ZINC001001231071 626151422 /nfs/dbraw/zinc/15/14/22/626151422.db2.gz XKMZAGXRDYUPBE-UHFFFAOYSA-N 0 3 296.823 2.949 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001001314637 626154074 /nfs/dbraw/zinc/15/40/74/626154074.db2.gz MSGLDJBNEQYHOG-SJORKVTESA-N 0 3 288.435 2.747 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C2=CCCCCC2)CC1 ZINC001001340433 626154817 /nfs/dbraw/zinc/15/48/17/626154817.db2.gz RMHHOPRACVIYDQ-UHFFFAOYSA-N 0 3 288.435 2.728 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc3ccccc3o2)CC1 ZINC001001428947 626157801 /nfs/dbraw/zinc/15/78/01/626157801.db2.gz GCWQRLQGNSIDBX-UHFFFAOYSA-N 0 3 296.370 2.981 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccoc2C(C)C)CC1 ZINC001001484933 626159811 /nfs/dbraw/zinc/15/98/11/626159811.db2.gz SPMDXDNRVXAWRI-UHFFFAOYSA-N 0 3 288.391 2.951 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001001855723 626164359 /nfs/dbraw/zinc/16/43/59/626164359.db2.gz GSCDXGXHPIIHLD-IAGOWNOFSA-N 0 3 290.451 2.520 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CNC[C@@](C)(O)C(F)(F)F ZINC000921939501 626181568 /nfs/dbraw/zinc/18/15/68/626181568.db2.gz RSFBAWWWZDSCGS-CYBMUJFWSA-N 0 3 286.297 2.578 20 30 CFEDHN N#Cc1cc(CNC[C@@H](O)CCc2ccccc2)cs1 ZINC000921989924 626191588 /nfs/dbraw/zinc/19/15/88/626191588.db2.gz IKYXKDKGDNYAIH-HNNXBMFYSA-N 0 3 286.400 2.703 20 30 CFEDHN C#CCOCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000851714408 634484159 /nfs/dbraw/zinc/48/41/59/634484159.db2.gz QSPUBGLZQOZPNA-UHFFFAOYSA-N 0 3 259.324 2.565 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016357473 626211589 /nfs/dbraw/zinc/21/15/89/626211589.db2.gz RIAFRGFSNLDRQB-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1nccc2c1CCCC2 ZINC000922164211 626226922 /nfs/dbraw/zinc/22/69/22/626226922.db2.gz RIFKPCIRCGCNGU-WBVHZDCISA-N 0 3 272.392 2.784 20 30 CFEDHN N#Cc1cc(CNC[C@H]2CC(=O)c3ccccc3O2)cs1 ZINC000922315636 626267573 /nfs/dbraw/zinc/26/75/73/626267573.db2.gz OEVMLEINYIUQCG-GFCCVEGCSA-N 0 3 298.367 2.743 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)cs1 ZINC000922325297 626270879 /nfs/dbraw/zinc/27/08/79/626270879.db2.gz BAZQCMYCPWXBNM-DYEKYZERSA-N 0 3 262.378 2.667 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)cs1 ZINC000922455095 626291051 /nfs/dbraw/zinc/29/10/51/626291051.db2.gz LFVIOXBGCMGGSX-ONGXEEELSA-N 0 3 290.310 2.819 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)[C@@H]1CC[C@H](OC)C1 ZINC000851737979 634500721 /nfs/dbraw/zinc/50/07/21/634500721.db2.gz STSRURTYDYQWRO-CVEARBPZSA-N 0 3 261.340 2.828 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CCCCO1 ZINC000922821736 626374759 /nfs/dbraw/zinc/37/47/59/626374759.db2.gz WXJMDXFONRAWKH-OAHLLOKOSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCN(CCOC(F)F)Cc1ccc(OC)cc1 ZINC000851732763 634498196 /nfs/dbraw/zinc/49/81/96/634498196.db2.gz CDZLMDYJENLYJD-UHFFFAOYSA-N 0 3 271.307 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001005622227 626418570 /nfs/dbraw/zinc/41/85/70/626418570.db2.gz KKOOZGHBDNFYHI-OFQRWUPVSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001005626647 626418867 /nfs/dbraw/zinc/41/88/67/626418867.db2.gz WFHVIWKQGWAASP-ZNMIVQPWSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]c3ccccc32)CC1 ZINC001005676164 626419514 /nfs/dbraw/zinc/41/95/14/626419514.db2.gz LTDDRTYADDREHK-UHFFFAOYSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001005770361 626420841 /nfs/dbraw/zinc/42/08/41/626420841.db2.gz TWKJCZGCDTYWCP-XOIINTDNSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCCn1cc(CNCC2CCC=CCC2)nn1 ZINC000922965908 626433741 /nfs/dbraw/zinc/43/37/41/626433741.db2.gz DUXIKBVITBRGIQ-UHFFFAOYSA-N 0 3 260.385 2.690 20 30 CFEDHN C#CCC1(NCc2cc(OC)c(OC)cc2OC)CCC1 ZINC000923000134 626440714 /nfs/dbraw/zinc/44/07/14/626440714.db2.gz HLVLCDYGRJCZRH-UHFFFAOYSA-N 0 3 289.375 2.748 20 30 CFEDHN C#CCC1(NCc2nccc3c2CCCC3)CCC1 ZINC000923000192 626440750 /nfs/dbraw/zinc/44/07/50/626440750.db2.gz ZCSXZBVUSAIWSS-UHFFFAOYSA-N 0 3 254.377 2.996 20 30 CFEDHN C#CCC1(NCc2ccc(Br)cn2)CCC1 ZINC000922997556 626441090 /nfs/dbraw/zinc/44/10/90/626441090.db2.gz KNJDRVRSWGWDRN-UHFFFAOYSA-N 0 3 279.181 2.880 20 30 CFEDHN C#CCC1(NCc2cc3c(cc[nH]c3=O)o2)CCC1 ZINC000922998928 626441168 /nfs/dbraw/zinc/44/11/68/626441168.db2.gz NKHQCOOWXCMWIP-UHFFFAOYSA-N 0 3 256.305 2.569 20 30 CFEDHN COc1cc(CNC2([C@H]3CCCCO3)CC2)ccc1C#N ZINC000923028124 626443373 /nfs/dbraw/zinc/44/33/73/626443373.db2.gz MQGZFWUQTZUTLO-MRXNPFEDSA-N 0 3 286.375 2.758 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2occc2Cl)CC1 ZINC001005942091 626453239 /nfs/dbraw/zinc/45/32/39/626453239.db2.gz LEGWWFZGDKPUGS-UHFFFAOYSA-N 0 3 282.771 2.655 20 30 CFEDHN C=CCCN1C[C@H](C[C@@H]2COCCN2)c2ccccc21 ZINC000923545165 626479253 /nfs/dbraw/zinc/47/92/53/626479253.db2.gz PKHBIHZLRVWXGV-LSDHHAIUSA-N 0 3 272.392 2.545 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2(F)CCCCC2)CC1 ZINC001006251269 626481221 /nfs/dbraw/zinc/48/12/21/626481221.db2.gz GDNLYNNKANLFEO-UHFFFAOYSA-N 0 3 282.403 2.768 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(C(C)C)c1 ZINC000838786703 626506651 /nfs/dbraw/zinc/50/66/51/626506651.db2.gz CEWASGQAQACIDZ-OAHLLOKOSA-N 0 3 286.375 2.586 20 30 CFEDHN C#CC[C@@H](NCCn1cc(Cl)cn1)c1ccccc1 ZINC000838913376 626513652 /nfs/dbraw/zinc/51/36/52/626513652.db2.gz QMFXFIACZMVWNK-OAHLLOKOSA-N 0 3 273.767 2.891 20 30 CFEDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCCC#N ZINC000839062842 626522659 /nfs/dbraw/zinc/52/26/59/626522659.db2.gz GPRYFBLPAGDKCD-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN C#CC[C@@H](NCc1ccc(C(=O)NC)cc1)c1ccccc1 ZINC000756995049 626543138 /nfs/dbraw/zinc/54/31/38/626543138.db2.gz CTDJFURIAUMVSA-GOSISDBHSA-N 0 3 292.382 2.900 20 30 CFEDHN C#CC[C@H](NCc1ccc(C(=O)NC)cc1)c1ccccc1 ZINC000756995050 626543153 /nfs/dbraw/zinc/54/31/53/626543153.db2.gz CTDJFURIAUMVSA-SFHVURJKSA-N 0 3 292.382 2.900 20 30 CFEDHN C#CC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000757618037 626556433 /nfs/dbraw/zinc/55/64/33/626556433.db2.gz PIAJKGMIFLQBSN-HLLBOEOZSA-N 0 3 284.403 2.740 20 30 CFEDHN Cc1ccn(CN(CC(C)C)C2CCCC2)c(=O)c1C#N ZINC000758210841 626582248 /nfs/dbraw/zinc/58/22/48/626582248.db2.gz SLOMHTBQMODWFV-UHFFFAOYSA-N 0 3 287.407 2.887 20 30 CFEDHN CS[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760342959 626736753 /nfs/dbraw/zinc/73/67/53/626736753.db2.gz ZRFYGEDQUDRDIU-DOMZBBRYSA-N 0 3 283.356 2.757 20 30 CFEDHN CC[C@@H](OC1CCCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760355379 626738754 /nfs/dbraw/zinc/73/87/54/626738754.db2.gz BQFZHFMWOLABLP-DZGCQCFKSA-N 0 3 287.363 2.781 20 30 CFEDHN N#CCOc1ccc(CN2CC[C@@H](C(F)F)C2)cc1 ZINC000761107374 626805074 /nfs/dbraw/zinc/80/50/74/626805074.db2.gz DYEYQBRHFXFDLO-GFCCVEGCSA-N 0 3 266.291 2.676 20 30 CFEDHN C#CCOCCN(C)[C@H](C)c1sc(CC)nc1C ZINC000851785549 634528619 /nfs/dbraw/zinc/52/86/19/634528619.db2.gz NITXYPQUJQHKGP-GFCCVEGCSA-N 0 3 266.410 2.657 20 30 CFEDHN C[C@@H]1CC(N=Nc2cccc(Br)c2)CN1C ZINC000761803368 626859036 /nfs/dbraw/zinc/85/90/36/626859036.db2.gz AKWGZKZIEVXSSH-SECBINFHSA-N 0 3 282.185 2.941 20 30 CFEDHN COc1cc(F)ccc1N=NC1CN(C2CC2)C[C@H]1C ZINC000761885660 626870075 /nfs/dbraw/zinc/87/00/75/626870075.db2.gz WOCNZGOTUSCXAE-SNVBAGLBSA-N 0 3 277.343 2.716 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCSC3)nc21 ZINC000762088986 626889334 /nfs/dbraw/zinc/88/93/34/626889334.db2.gz VAXBPPNELSDQOC-WDEREUQCSA-N 0 3 285.372 2.801 20 30 CFEDHN COCC#CCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000762926956 626950966 /nfs/dbraw/zinc/95/09/66/626950966.db2.gz YGBYDTFCWVFHMY-JKSUJKDBSA-N 0 3 291.391 2.598 20 30 CFEDHN Cc1cc([C@@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)on1 ZINC000763395183 626985373 /nfs/dbraw/zinc/98/53/73/626985373.db2.gz CQPSNSYTFBGDBQ-JKSUJKDBSA-N 0 3 297.358 2.725 20 30 CFEDHN CCC1(CC)[C@H](NC[C@H](C#N)CCC#N)C[C@H]1OC ZINC000764626711 627077324 /nfs/dbraw/zinc/07/73/24/627077324.db2.gz HYPLUTSHGZQULU-BFHYXJOUSA-N 0 3 263.385 2.613 20 30 CFEDHN CCC1(CC)[C@H](NC[C@@H](C#N)CCC#N)C[C@@H]1OC ZINC000764626779 627077608 /nfs/dbraw/zinc/07/76/08/627077608.db2.gz HYPLUTSHGZQULU-MCIONIFRSA-N 0 3 263.385 2.613 20 30 CFEDHN C(CCC1CCOCC1)=Nn1cnnc1-c1ccccc1 ZINC000764905429 627105628 /nfs/dbraw/zinc/10/56/28/627105628.db2.gz NNMZPKSUVNLYLF-UHFFFAOYSA-N 0 3 284.363 2.986 20 30 CFEDHN Fc1cccc(F)c1N=NC1CCN2CCC[C@H]12 ZINC000765576958 627148046 /nfs/dbraw/zinc/14/80/46/627148046.db2.gz MNZZPTNBTPDOTB-GFCCVEGCSA-N 0 3 251.280 2.601 20 30 CFEDHN C#CCCCN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000766220770 627185215 /nfs/dbraw/zinc/18/52/15/627185215.db2.gz CGLOUVGSOQETBE-CQSZACIVSA-N 0 3 282.391 2.948 20 30 CFEDHN C#CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000766902314 627226033 /nfs/dbraw/zinc/22/60/33/627226033.db2.gz ZXVAQTSXELUHGB-OKILXGFUSA-N 0 3 280.412 2.730 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000766930556 627227594 /nfs/dbraw/zinc/22/75/94/627227594.db2.gz SMNYZTNAKUMCEJ-XJKCOSOUSA-N 0 3 287.363 2.638 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000851876221 634568644 /nfs/dbraw/zinc/56/86/44/634568644.db2.gz ULTIQBCIHPXTGQ-CYBMUJFWSA-N 0 3 268.282 2.985 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000769033716 627397866 /nfs/dbraw/zinc/39/78/66/627397866.db2.gz MLPFABPUQOVVMH-RHSMWYFYSA-N 0 3 288.391 2.978 20 30 CFEDHN C=C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769337055 627426681 /nfs/dbraw/zinc/42/66/81/627426681.db2.gz CBMSIQSJSUBRIP-UHFFFAOYSA-N 0 3 272.392 2.675 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCCOC[C@@H]2C)cc1 ZINC000769458727 627442135 /nfs/dbraw/zinc/44/21/35/627442135.db2.gz ZJCOTCJZEFXVCC-KBPBESRZSA-N 0 3 274.364 2.588 20 30 CFEDHN C#CCN(CC#C)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000769475324 627445701 /nfs/dbraw/zinc/44/57/01/627445701.db2.gz KIIDGWHGOSLWPT-CQSZACIVSA-N 0 3 273.351 2.581 20 30 CFEDHN COc1ccc(CNCc2cccc3nccn32)cc1C#N ZINC000769690463 627466004 /nfs/dbraw/zinc/46/60/04/627466004.db2.gz RJKRILXTZKFKRM-UHFFFAOYSA-N 0 3 292.342 2.504 20 30 CFEDHN C#C[C@H](C)N(C)CCOc1ccccc1Br ZINC000769977273 627494038 /nfs/dbraw/zinc/49/40/38/627494038.db2.gz DEQJZIWCHGOOHK-NSHDSACASA-N 0 3 282.181 2.781 20 30 CFEDHN N#CCC[C@@H](NC[C@@H](O)c1ccccn1)c1ccccc1 ZINC000851904765 634582883 /nfs/dbraw/zinc/58/28/83/634582883.db2.gz BAPOJTLBIQVJTK-NVXWUHKLSA-N 0 3 281.359 2.750 20 30 CFEDHN CCN(CC)c1ccc(C=NN[C@H](C)CC#N)cc1 ZINC000771890046 627644023 /nfs/dbraw/zinc/64/40/23/627644023.db2.gz MNXBAIMPDSXNST-CYBMUJFWSA-N 0 3 258.369 2.758 20 30 CFEDHN C#CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772332039 627702305 /nfs/dbraw/zinc/70/23/05/627702305.db2.gz ORWISARZZRZAGW-ZIAGYGMSSA-N 0 3 280.412 2.730 20 30 CFEDHN C#CCN(CCc1nsc2ccccc21)C1CC1 ZINC000851938310 634601188 /nfs/dbraw/zinc/60/11/88/634601188.db2.gz NVDNUTHRMRJFQP-UHFFFAOYSA-N 0 3 256.374 2.936 20 30 CFEDHN COC[C@@H](CC(C)C)NCc1cc(C#N)ccc1F ZINC000773028808 627771535 /nfs/dbraw/zinc/77/15/35/627771535.db2.gz UYGCTTWMZPPVQW-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@@H](C)SC ZINC000773764386 627856580 /nfs/dbraw/zinc/85/65/80/627856580.db2.gz QCSGYFYSZCYPDB-NEPJUHHUSA-N 0 3 284.425 2.533 20 30 CFEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)sc1C ZINC000774042789 627881120 /nfs/dbraw/zinc/88/11/20/627881120.db2.gz KLDGFXKUTCLHJW-LBPRGKRZSA-N 0 3 299.355 2.721 20 30 CFEDHN CC(C)OCCNN=C1CCCNc2ccccc21 ZINC000774399107 627921177 /nfs/dbraw/zinc/92/11/77/627921177.db2.gz MIZJUTNNHRHEFE-UHFFFAOYSA-N 0 3 261.369 2.611 20 30 CFEDHN C#C[C@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775183017 627997070 /nfs/dbraw/zinc/99/70/70/627997070.db2.gz FYMQCSNEXNAEHB-JTQLQIEISA-N 0 3 282.181 2.917 20 30 CFEDHN C#C[C@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775183017 627997071 /nfs/dbraw/zinc/99/70/71/627997071.db2.gz FYMQCSNEXNAEHB-JTQLQIEISA-N 0 3 282.181 2.917 20 30 CFEDHN C[C@@H](NC/C=C\Cl)c1ccc(OCC#N)cc1 ZINC000775336978 628010644 /nfs/dbraw/zinc/01/06/44/628010644.db2.gz VPQJDLXOVGLEAV-IGVIJBNESA-N 0 3 250.729 2.992 20 30 CFEDHN C#C[C@H](N[C@@H](CC)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000775571210 628040096 /nfs/dbraw/zinc/04/00/96/628040096.db2.gz CKTRCZNDZWSRPH-OKZBNKHCSA-N 0 3 286.419 2.974 20 30 CFEDHN C#C[C@H](N[C@H](CC)c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000775572913 628040856 /nfs/dbraw/zinc/04/08/56/628040856.db2.gz DGFAONGCKTXOCI-SOLBZPMBSA-N 0 3 285.387 2.843 20 30 CFEDHN C#C[C@@H](NCc1c(C)cc(C)cc1C)[C@@H]1CCCO1 ZINC000775784564 628067091 /nfs/dbraw/zinc/06/70/91/628067091.db2.gz KEGXQNKVHKWLFC-SJORKVTESA-N 0 3 257.377 2.882 20 30 CFEDHN C#CCCOc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000775985156 628090887 /nfs/dbraw/zinc/09/08/87/628090887.db2.gz KCWCKXLJINZXLP-HOTGVXAUSA-N 0 3 286.419 2.613 20 30 CFEDHN C#CCCN1CCN(Cc2cc(C)sc2C)CC1 ZINC000776592223 628163435 /nfs/dbraw/zinc/16/34/35/628163435.db2.gz CQSKYLMYAOBMQM-UHFFFAOYSA-N 0 3 262.422 2.506 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(O)C1CC1 ZINC000778170821 628282997 /nfs/dbraw/zinc/28/29/97/628282997.db2.gz YRGYVLTWXIHZAH-MRXNPFEDSA-N 0 3 293.794 2.603 20 30 CFEDHN C#CCCN1CCN(Cc2ccc(CCC)cc2)CC1 ZINC000778221331 628288611 /nfs/dbraw/zinc/28/86/11/628288611.db2.gz CXMFVNOZXXVPKR-UHFFFAOYSA-N 0 3 270.420 2.780 20 30 CFEDHN C#CCCCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778298102 628295378 /nfs/dbraw/zinc/29/53/78/628295378.db2.gz XFHDXWIQFYGAOJ-OKILXGFUSA-N 0 3 280.412 2.730 20 30 CFEDHN C#CCOCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000852088404 634647378 /nfs/dbraw/zinc/64/73/78/634647378.db2.gz KDJNEOCTHQEGMU-AWEZNQCLSA-N 0 3 263.768 2.779 20 30 CFEDHN CC(C)OCCNN=C1CCCC[C@H]1N1CCCCC1 ZINC000778547633 628314695 /nfs/dbraw/zinc/31/46/95/628314695.db2.gz ZUEHJPUXQPBSKU-MRXNPFEDSA-N 0 3 281.444 2.786 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCSC1 ZINC000810528926 628372258 /nfs/dbraw/zinc/37/22/58/628372258.db2.gz YNBLWVKHRABXGK-OLZOCXBDSA-N 0 3 296.436 2.535 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000852098811 634653283 /nfs/dbraw/zinc/65/32/83/634653283.db2.gz WUJFAQBOTFIYSQ-IXYNUQLISA-N 0 3 264.413 2.556 20 30 CFEDHN COc1cccc(O)c1CN1CCC(C)(C#N)CC1 ZINC000780781531 628497013 /nfs/dbraw/zinc/49/70/13/628497013.db2.gz CUDGMXQXLODHNG-UHFFFAOYSA-N 0 3 260.337 2.526 20 30 CFEDHN C=CCOCC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000780793463 628498007 /nfs/dbraw/zinc/49/80/07/628498007.db2.gz OPVHSPXWZJDOKW-UHFFFAOYSA-N 0 3 255.745 2.646 20 30 CFEDHN CCOC(CN(CC)CCc1ccc(C#N)cc1)OCC ZINC000852143843 634669959 /nfs/dbraw/zinc/66/99/59/634669959.db2.gz RVNDALMMTMTUAM-UHFFFAOYSA-N 0 3 290.407 2.822 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000783599301 628725387 /nfs/dbraw/zinc/72/53/87/628725387.db2.gz MFWDHIHKBNPZKB-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N1CCCCC1 ZINC000785536240 628891734 /nfs/dbraw/zinc/89/17/34/628891734.db2.gz CZGULKBGOUIMIC-ZFWWWQNUSA-N 0 3 252.402 2.579 20 30 CFEDHN N#CC1(COC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000785728943 628907655 /nfs/dbraw/zinc/90/76/55/628907655.db2.gz NGEBHGWITVYGGB-UHFFFAOYSA-N 0 3 284.359 2.743 20 30 CFEDHN C=C(CC)CN1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805788758 628917593 /nfs/dbraw/zinc/91/75/93/628917593.db2.gz RXEDDSSMRSKHMJ-SRVKXCTJSA-N 0 3 292.345 2.730 20 30 CFEDHN CSC1(C(=O)C(C#N)c2nc(C)cs2)CCC1 ZINC000786270053 628946129 /nfs/dbraw/zinc/94/61/29/628946129.db2.gz JXFGWVPNUJWJKL-VIFPVBQESA-N 0 3 266.391 2.914 20 30 CFEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534325 628966878 /nfs/dbraw/zinc/96/68/78/628966878.db2.gz KASWBDMMMXEJHP-GXFFZTMASA-N 0 3 292.766 2.711 20 30 CFEDHN CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786551657 628968511 /nfs/dbraw/zinc/96/85/11/628968511.db2.gz ZSNVBTJHKPDJJK-CQSZACIVSA-N 0 3 272.348 2.510 20 30 CFEDHN CC(C)[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070584 628991340 /nfs/dbraw/zinc/99/13/40/628991340.db2.gz YBEIJUCUSYFECN-JYJNAYRXSA-N 0 3 298.386 2.646 20 30 CFEDHN C#CCC1(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCCCC1 ZINC000788227245 629051923 /nfs/dbraw/zinc/05/19/23/629051923.db2.gz MKRFHPDFRMBEFT-GJZGRUSLSA-N 0 3 288.435 2.702 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000788685061 629092460 /nfs/dbraw/zinc/09/24/60/629092460.db2.gz GDFGNMSZFXPMHZ-GFCCVEGCSA-N 0 3 266.772 2.905 20 30 CFEDHN C#CC[C@H](OC(=O)C1CCN(C2CC2)CC1)c1ccccn1 ZINC000805874195 629098609 /nfs/dbraw/zinc/09/86/09/629098609.db2.gz FBNLIUOYWBMMQA-KRWDZBQOSA-N 0 3 298.386 2.564 20 30 CFEDHN N#Cc1ccc(CCC(=O)OCCN2CCCCC2)cc1 ZINC000789983390 629201475 /nfs/dbraw/zinc/20/14/75/629201475.db2.gz TVVFYBMMOPPPFM-UHFFFAOYSA-N 0 3 286.375 2.520 20 30 CFEDHN CC#CCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000805919346 629221860 /nfs/dbraw/zinc/22/18/60/629221860.db2.gz JHCIRKPPXQUVAQ-UHFFFAOYSA-N 0 3 263.381 2.598 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc3c(c2)COC3)C1 ZINC000852319193 634718851 /nfs/dbraw/zinc/71/88/51/634718851.db2.gz HVFVUVBHIAPQMY-CYBMUJFWSA-N 0 3 256.349 2.842 20 30 CFEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000791584567 629336792 /nfs/dbraw/zinc/33/67/92/629336792.db2.gz PCFAYBWKAWQGDK-LERXQTSPSA-N 0 3 298.308 2.864 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1 ZINC000835061279 629363735 /nfs/dbraw/zinc/36/37/35/629363735.db2.gz YHOFWLMETRWWAR-ZRUQZJFASA-N 0 3 299.374 2.643 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(Cl)cc1)[C@H](C)COC ZINC000852356856 634731268 /nfs/dbraw/zinc/73/12/68/634731268.db2.gz QCLLYIXMOJYNHE-IUODEOHRSA-N 0 3 283.799 2.896 20 30 CFEDHN C[C@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1cccc(C#N)c1 ZINC000792276650 629416109 /nfs/dbraw/zinc/41/61/09/629416109.db2.gz NWSOEKUXXOKAIT-WFASDCNBSA-N 0 3 284.359 2.695 20 30 CFEDHN C#CCN(Cc1ccc(-n2ccnc2)cc1C)C1CC1 ZINC000792292118 629418355 /nfs/dbraw/zinc/41/83/55/629418355.db2.gz TYSRREZVTZEIIE-UHFFFAOYSA-N 0 3 265.360 2.778 20 30 CFEDHN CC[C@@]1(NCc2cc(Cl)ccc2OCC#N)CCOC1 ZINC000792426968 629425022 /nfs/dbraw/zinc/42/50/22/629425022.db2.gz PHDJFKPKPVWPDC-OAHLLOKOSA-N 0 3 294.782 2.901 20 30 CFEDHN C[C@H](OC(=O)c1cccc(CN(C)C)c1)C(C)(C)C#N ZINC000835245973 629558819 /nfs/dbraw/zinc/55/88/19/629558819.db2.gz SPPPJXHCABRYDL-LBPRGKRZSA-N 0 3 274.364 2.843 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccc(Cl)cc1 ZINC000794578698 629664357 /nfs/dbraw/zinc/66/43/57/629664357.db2.gz IJEDJLOWMPGJFS-ZDUSSCGKSA-N 0 3 251.757 2.717 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000794578881 629664378 /nfs/dbraw/zinc/66/43/78/629664378.db2.gz MFEYYGOBYNYRBJ-CYBMUJFWSA-N 0 3 269.747 2.856 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794819002 629690436 /nfs/dbraw/zinc/69/04/36/629690436.db2.gz WIXUDSSKWGUXSU-DZGCQCFKSA-N 0 3 263.381 2.926 20 30 CFEDHN CC(=NNCc1ccccc1N(C)C)c1ccc(N)cc1 ZINC000794950051 629708684 /nfs/dbraw/zinc/70/86/84/629708684.db2.gz WHRUXEXUWUCNKO-UHFFFAOYSA-N 0 3 282.391 2.849 20 30 CFEDHN CN(C)c1ccc(C=NNCc2ccccc2N(C)C)cc1 ZINC000794956385 629709379 /nfs/dbraw/zinc/70/93/79/629709379.db2.gz RGXCEVXQDJVOMN-UHFFFAOYSA-N 0 3 296.418 2.942 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796357516 629908532 /nfs/dbraw/zinc/90/85/32/629908532.db2.gz OIJHLZJDHYKOJK-SFHVURJKSA-N 0 3 265.356 2.855 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796583245 629938209 /nfs/dbraw/zinc/93/82/09/629938209.db2.gz FDKUIRKSMOOJLH-YJBOKZPZSA-N 0 3 298.430 2.566 20 30 CFEDHN CN(C)c1ccc(CNCC2(CC#N)CC2)cc1F ZINC000797468354 630071184 /nfs/dbraw/zinc/07/11/84/630071184.db2.gz IETMKGKVVQSXSD-UHFFFAOYSA-N 0 3 261.344 2.675 20 30 CFEDHN CCOc1ccc(C[NH2+]CC2(CC#N)CC2)c([O-])c1 ZINC000797469068 630071215 /nfs/dbraw/zinc/07/12/15/630071215.db2.gz SYVBWSDCTQGXMZ-UHFFFAOYSA-N 0 3 260.337 2.574 20 30 CFEDHN N#CC1(CCCN2CCC(F)(F)CC2)CCOCC1 ZINC000799170591 630283391 /nfs/dbraw/zinc/28/33/91/630283391.db2.gz ZJCSQEMPIVTYMG-UHFFFAOYSA-N 0 3 272.339 2.818 20 30 CFEDHN C#CCN(CC1(CC(=O)OC)CC1)[C@H]1CCc2ccccc21 ZINC000799296411 630293381 /nfs/dbraw/zinc/29/33/81/630293381.db2.gz CKNQASZFRLWKPG-KRWDZBQOSA-N 0 3 297.398 2.952 20 30 CFEDHN C#CCCN1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000799344838 630302580 /nfs/dbraw/zinc/30/25/80/630302580.db2.gz IXYITGDFOAXJOG-INIZCTEOSA-N 0 3 286.419 2.615 20 30 CFEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000103639233 630306763 /nfs/dbraw/zinc/30/67/63/630306763.db2.gz HMOHXVLHWLPLNR-HIFRSBDPSA-N 0 3 286.375 2.804 20 30 CFEDHN CCN1CCN(c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000799720631 630339112 /nfs/dbraw/zinc/33/91/12/630339112.db2.gz KQEZNBYPKFSDPU-WBVHZDCISA-N 0 3 298.434 2.933 20 30 CFEDHN CC#CC(=O)N(CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000801138350 630430022 /nfs/dbraw/zinc/43/00/22/630430022.db2.gz PFCRFPQKHQAEPH-NVXWUHKLSA-N 0 3 284.403 2.694 20 30 CFEDHN CC#CC(=O)N(CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000801138353 630430091 /nfs/dbraw/zinc/43/00/91/630430091.db2.gz PFCRFPQKHQAEPH-WBVHZDCISA-N 0 3 284.403 2.694 20 30 CFEDHN C[C@@H](C#N)OCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000801914414 630485828 /nfs/dbraw/zinc/48/58/28/630485828.db2.gz BYUPTRHSMPIINM-DOTOQJQBSA-N 0 3 288.391 2.596 20 30 CFEDHN COc1ccccc1[C@H]1CCCN1CCO[C@H](C)C#N ZINC000801917764 630487624 /nfs/dbraw/zinc/48/76/24/630487624.db2.gz OSEGXAALBQDAJX-UKRRQHHQSA-N 0 3 274.364 2.761 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000801922228 630488509 /nfs/dbraw/zinc/48/85/09/630488509.db2.gz UFCVDFFSMUITCH-CYBMUJFWSA-N 0 3 292.354 2.598 20 30 CFEDHN C[C@H](C#N)OCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000801930068 630490449 /nfs/dbraw/zinc/49/04/49/630490449.db2.gz DHNPZJJUJYOUJE-CYBMUJFWSA-N 0 3 296.374 2.581 20 30 CFEDHN Cc1cccnc1[C@@H](NCCO[C@@H](C)C#N)C(C)C ZINC000801933235 630490907 /nfs/dbraw/zinc/49/09/07/630490907.db2.gz LQUWUPQUSKFVNN-KBPBESRZSA-N 0 3 261.369 2.605 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000802042474 630499503 /nfs/dbraw/zinc/49/95/03/630499503.db2.gz GATCXPWRZWKJEA-SRVKXCTJSA-N 0 3 292.285 2.544 20 30 CFEDHN C#CCCN(CCOC)Cc1ccccc1SC ZINC000852749284 634823154 /nfs/dbraw/zinc/82/31/54/634823154.db2.gz VAAQEQRSVICOFM-UHFFFAOYSA-N 0 3 263.406 2.880 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1CCC ZINC000804457332 630683875 /nfs/dbraw/zinc/68/38/75/630683875.db2.gz SPKYPAJSJFISIJ-QZTJIDSGSA-N 0 3 298.430 2.612 20 30 CFEDHN C=CCN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000102400435 630798258 /nfs/dbraw/zinc/79/82/58/630798258.db2.gz HFGBUAZDJKQZRQ-CHWSQXEVSA-N 0 3 268.401 2.940 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000807681220 630902807 /nfs/dbraw/zinc/90/28/07/630902807.db2.gz GDCUVFCTVSXBHL-UONOGXRCSA-N 0 3 276.380 2.629 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000808445027 630993546 /nfs/dbraw/zinc/99/35/46/630993546.db2.gz MNMQTSSBSYRCCI-SJCJKPOMSA-N 0 3 284.334 2.909 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC000837531947 631057909 /nfs/dbraw/zinc/05/79/09/631057909.db2.gz JPFBDJQIGLVVEZ-WBVHZDCISA-N 0 3 298.430 2.673 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccccc1 ZINC000837655439 631098836 /nfs/dbraw/zinc/09/88/36/631098836.db2.gz DYURZVNYCXXLNB-WBVHZDCISA-N 0 3 298.430 2.815 20 30 CFEDHN C#Cc1ccc(CN2CCC(NC(=O)CCC)CC2)cc1 ZINC000809549313 631232230 /nfs/dbraw/zinc/23/22/30/631232230.db2.gz ODASUSSUMDOSST-UHFFFAOYSA-N 0 3 284.403 2.549 20 30 CFEDHN C=CC[C@H](NCc1cc(C(=O)OC)n(C)c1)c1ccncc1 ZINC000809620184 631247459 /nfs/dbraw/zinc/24/74/59/631247459.db2.gz CZEPXINFYJYOOW-HNNXBMFYSA-N 0 3 299.374 2.614 20 30 CFEDHN C#Cc1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000809622598 631249128 /nfs/dbraw/zinc/24/91/28/631249128.db2.gz IMKXAPKXRXUZTR-UHFFFAOYSA-N 0 3 255.292 2.802 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(O)c(F)c2)cc1 ZINC000809622598 631249133 /nfs/dbraw/zinc/24/91/33/631249133.db2.gz IMKXAPKXRXUZTR-UHFFFAOYSA-N 0 3 255.292 2.802 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000809640572 631253815 /nfs/dbraw/zinc/25/38/15/631253815.db2.gz XGBUJJMOSXVPPE-KRWDZBQOSA-N 0 3 296.414 2.691 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000809683004 631260367 /nfs/dbraw/zinc/26/03/67/631260367.db2.gz LOWMEGLFBQDWJG-GFCCVEGCSA-N 0 3 259.349 2.753 20 30 CFEDHN C#C[C@H](CC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000809686518 631260408 /nfs/dbraw/zinc/26/04/08/631260408.db2.gz XLLCATJTBIZTDC-LLVKDONJSA-N 0 3 298.180 2.665 20 30 CFEDHN C#C[C@H](C)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000809683360 631260512 /nfs/dbraw/zinc/26/05/12/631260512.db2.gz AUGGVYWTSWFEDN-LBPRGKRZSA-N 0 3 259.349 2.753 20 30 CFEDHN C#C[C@@H](C)NCc1cccc(OCc2ccccn2)c1 ZINC000809683340 631260738 /nfs/dbraw/zinc/26/07/38/631260738.db2.gz ZSJSBXPSEIYNNF-CQSZACIVSA-N 0 3 266.344 2.772 20 30 CFEDHN C#C[C@H](NCc1cccc(OCCCOC)c1)C(C)C ZINC000809685328 631262210 /nfs/dbraw/zinc/26/22/10/631262210.db2.gz NWROJDDUNWIMHI-KRWDZBQOSA-N 0 3 275.392 2.849 20 30 CFEDHN C#Cc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1 ZINC000809793326 631292664 /nfs/dbraw/zinc/29/26/64/631292664.db2.gz COHZIDUFEMPGSQ-FQEVSTJZSA-N 0 3 283.396 2.695 20 30 CFEDHN CCCCCCCS(=O)(=O)N[C@H](C)CN(C)C(C)C ZINC000810091094 631323445 /nfs/dbraw/zinc/32/34/45/631323445.db2.gz FNKNWTBDRFXOPP-CQSZACIVSA-N 0 3 292.489 2.605 20 30 CFEDHN C#C[C@H](NCCc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000811492184 631570514 /nfs/dbraw/zinc/57/05/14/631570514.db2.gz XTYTVXOEFOAICK-GJZGRUSLSA-N 0 3 281.758 2.792 20 30 CFEDHN CC[C@@H](O)CNN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000811656809 631596141 /nfs/dbraw/zinc/59/61/41/631596141.db2.gz WPRIJMBGLFTVMN-QGZVFWFLSA-N 0 3 289.423 2.761 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000811811472 631626469 /nfs/dbraw/zinc/62/64/69/631626469.db2.gz CHUMRKLNIWCCBF-SMDDNHRTSA-N 0 3 283.375 2.798 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN(C)[C@@H](C)CO)cc1 ZINC000842544117 631660155 /nfs/dbraw/zinc/66/01/55/631660155.db2.gz FHZAGMKMRIXKOL-HNNXBMFYSA-N 0 3 291.439 2.960 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC000842687105 631707343 /nfs/dbraw/zinc/70/73/43/631707343.db2.gz UZCNYGIEXFHXRE-AWEZNQCLSA-N 0 3 282.343 2.914 20 30 CFEDHN C#CCN(C)CCc1cccc(Br)c1 ZINC000812906036 631804851 /nfs/dbraw/zinc/80/48/51/631804851.db2.gz PNDOAKGTAQNGAD-UHFFFAOYSA-N 0 3 252.155 2.557 20 30 CFEDHN N#Cc1ccc(N2CC[C@@H](N3CCCCCCC3)C2=O)cc1 ZINC000813057597 631820964 /nfs/dbraw/zinc/82/09/64/631820964.db2.gz MUVQKLQCDYWKHU-QGZVFWFLSA-N 0 3 297.402 2.930 20 30 CFEDHN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000813090136 631832757 /nfs/dbraw/zinc/83/27/57/631832757.db2.gz GUSKARBMHNDXGH-BZUAXINKSA-N 0 3 298.386 2.790 20 30 CFEDHN C=C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813114547 631845767 /nfs/dbraw/zinc/84/57/67/631845767.db2.gz SQECXMMRVFWIRR-RYUDHWBXSA-N 0 3 263.293 2.555 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCO1 ZINC000813216438 631882543 /nfs/dbraw/zinc/88/25/43/631882543.db2.gz RPZLCVVATVODKL-GXFFZTMASA-N 0 3 298.264 2.846 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000843265022 631913081 /nfs/dbraw/zinc/91/30/81/631913081.db2.gz SPKBNZPBKSEPAC-NAGLPPCWSA-N 0 3 276.380 2.835 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@]1(O)CCc2ccccc21 ZINC000843420265 631950089 /nfs/dbraw/zinc/95/00/89/631950089.db2.gz AIRQXOKVHARUTI-QGZVFWFLSA-N 0 3 298.411 2.886 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001010347991 651173256 /nfs/dbraw/zinc/17/32/56/651173256.db2.gz MXKGAZFKPBIRQW-HNNXBMFYSA-N 0 3 262.397 2.644 20 30 CFEDHN C#C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000843637840 632012242 /nfs/dbraw/zinc/01/22/42/632012242.db2.gz GEBFKXHHAGBHHH-WBVHZDCISA-N 0 3 284.403 2.742 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)SC ZINC000156291119 650051662 /nfs/dbraw/zinc/05/16/62/650051662.db2.gz SNMWENPJNZVKPT-VXGBXAGGSA-N 0 3 284.425 2.533 20 30 CFEDHN N#CCC[C@H](C#N)CNCCC[C@@H]1CC1(Cl)Cl ZINC000844279282 632154074 /nfs/dbraw/zinc/15/40/74/632154074.db2.gz RZCKRCRPYGKHMT-GHMZBOCLSA-N 0 3 274.195 2.994 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844376145 632184888 /nfs/dbraw/zinc/18/48/88/632184888.db2.gz RWEQMKIKXJMNFG-HOTGVXAUSA-N 0 3 295.810 2.560 20 30 CFEDHN C=CCOCCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844381873 632187174 /nfs/dbraw/zinc/18/71/74/632187174.db2.gz TZXYIGJYHZSIAC-INIZCTEOSA-N 0 3 295.810 2.826 20 30 CFEDHN CCCCCCC[C@H](C)CNCc1cnn(C)n1 ZINC000815117751 632205654 /nfs/dbraw/zinc/20/56/54/632205654.db2.gz UMPRNHXDCBANBU-ZDUSSCGKSA-N 0 3 252.406 2.901 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000816653044 632504661 /nfs/dbraw/zinc/50/46/61/632504661.db2.gz CVNWEXVPUOSWIR-ZNMIVQPWSA-N 0 3 287.407 2.502 20 30 CFEDHN C=CCC(F)(F)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000817021867 632547205 /nfs/dbraw/zinc/54/72/05/632547205.db2.gz YIXUTGLPCAXHHQ-LBPRGKRZSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882697 632590124 /nfs/dbraw/zinc/59/01/24/632590124.db2.gz PVJUBCLRSKBSEA-ABAIWWIYSA-N 0 3 293.294 2.879 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000817280571 632592652 /nfs/dbraw/zinc/59/26/52/632592652.db2.gz APGONONIJNKHLT-MNOVXSKESA-N 0 3 264.291 2.579 20 30 CFEDHN C=C[C@H](C)ONC(=O)c1cccc(CN2CCCC2)c1 ZINC000846549350 632737469 /nfs/dbraw/zinc/73/74/69/632737469.db2.gz JQDKHXVUQMCWOA-ZDUSSCGKSA-N 0 3 274.364 2.518 20 30 CFEDHN CC(C)(C)C#CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000846593100 632754671 /nfs/dbraw/zinc/75/46/71/632754671.db2.gz IHEQOOJVVFJWHM-LJQANCHMSA-N 0 3 298.430 2.817 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000818073733 632793930 /nfs/dbraw/zinc/79/39/30/632793930.db2.gz MCWGROOJNVHNDQ-INIZCTEOSA-N 0 3 291.439 2.826 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)[C@H](N)CCCC#N ZINC000818094885 632800330 /nfs/dbraw/zinc/80/03/30/632800330.db2.gz ZDJFPSGQKGKHBA-RRFJBIMHSA-N 0 3 293.455 2.976 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000818118681 632804273 /nfs/dbraw/zinc/80/42/73/632804273.db2.gz UNAFOQOZDIYGKL-IAGOWNOFSA-N 0 3 298.430 2.610 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1occc1Br ZINC000818224848 632817111 /nfs/dbraw/zinc/81/71/11/632817111.db2.gz RYTSSHJVXDFVMD-ONGXEEELSA-N 0 3 286.169 2.723 20 30 CFEDHN CC[C@@H](NCCO[C@@H](C)C#N)c1ccccc1F ZINC000847017712 632882577 /nfs/dbraw/zinc/88/25/77/632882577.db2.gz ARPAORLHKPMNMF-SMDDNHRTSA-N 0 3 250.317 2.795 20 30 CFEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000847034971 632898102 /nfs/dbraw/zinc/89/81/02/632898102.db2.gz XRQOSMSONKHZJD-DLBZAZTESA-N 0 3 298.430 2.769 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1c(F)cccc1F ZINC000848396879 633247836 /nfs/dbraw/zinc/24/78/36/633247836.db2.gz WWLWGIFUYWWPDZ-GXFFZTMASA-N 0 3 295.333 2.553 20 30 CFEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)Cc2ccccc21 ZINC000848396291 633248131 /nfs/dbraw/zinc/24/81/31/633248131.db2.gz KRJPBOYFUVHNSY-CZUORRHYSA-N 0 3 285.391 2.544 20 30 CFEDHN C=CCCC1(CNCc2cnn(CC)n2)CCCC1 ZINC000850351577 633950828 /nfs/dbraw/zinc/95/08/28/633950828.db2.gz DOKBIRMPJRITMH-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=CCCSCCNCc1cnc([C@H](C)O)s1 ZINC000850354392 633952123 /nfs/dbraw/zinc/95/21/23/633952123.db2.gz GAEHINJUTWVXBS-JTQLQIEISA-N 0 3 272.439 2.595 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2Cc2ccccn2)n1 ZINC000850387777 633970661 /nfs/dbraw/zinc/97/06/61/633970661.db2.gz ZSJOXENJRAFPMX-WFASDCNBSA-N 0 3 298.415 2.911 20 30 CFEDHN C=C(Br)CNC1CC(CF)(CF)C1 ZINC000850431684 633989472 /nfs/dbraw/zinc/98/94/72/633989472.db2.gz HIKVOKNTMUCYGD-UHFFFAOYSA-N 0 3 254.118 2.572 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850442113 633994168 /nfs/dbraw/zinc/99/41/68/633994168.db2.gz AXVBBBPCOOWFLN-LLVKDONJSA-N 0 3 294.376 2.620 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cn1)C(C)(C)C(F)F ZINC000850462400 634003990 /nfs/dbraw/zinc/00/39/90/634003990.db2.gz OAFUZZGELXDKPS-SECBINFHSA-N 0 3 253.296 2.723 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850738420 634068423 /nfs/dbraw/zinc/06/84/23/634068423.db2.gz KTLJYLHNJRIYTF-GFCCVEGCSA-N 0 3 279.343 2.940 20 30 CFEDHN C=CC1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000111259985 634983702 /nfs/dbraw/zinc/98/37/02/634983702.db2.gz CFHVYPMOYBRHKY-HNNXBMFYSA-N 0 3 267.319 2.896 20 30 CFEDHN C[C@H]1CCCCN1N=Cc1ccc(N2CCOCC2)cc1 ZINC000853378383 634986691 /nfs/dbraw/zinc/98/66/91/634986691.db2.gz CWUNUOFCOFSPJW-HNNXBMFYSA-N 0 3 287.407 2.732 20 30 CFEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)CC#N ZINC000857574087 635986306 /nfs/dbraw/zinc/98/63/06/635986306.db2.gz YXISHEHUPQAHCJ-QRTARXTBSA-N 0 3 297.402 2.679 20 30 CFEDHN Cc1cnccc1CCNCc1cc(C#N)cnc1Cl ZINC000857707393 636014237 /nfs/dbraw/zinc/01/42/37/636014237.db2.gz RVAGJZCOXJGEGT-UHFFFAOYSA-N 0 3 286.766 2.642 20 30 CFEDHN C#CCSCCNCc1cc(OCC)c(OC)cc1F ZINC000858143099 636138278 /nfs/dbraw/zinc/13/82/78/636138278.db2.gz SFTWTGOGISKOBP-UHFFFAOYSA-N 0 3 297.395 2.689 20 30 CFEDHN C#CCCCCNCc1ncc(Br)cc1F ZINC000858150523 636141697 /nfs/dbraw/zinc/14/16/97/636141697.db2.gz YXHPPNXERQPXEU-UHFFFAOYSA-N 0 3 285.160 2.876 20 30 CFEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccco2)s1 ZINC000858334654 636195741 /nfs/dbraw/zinc/19/57/41/636195741.db2.gz FFHLTSXVCGHIGX-NSHDSACASA-N 0 3 276.361 2.531 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCCCCCC3)n2c1 ZINC000158959769 650242921 /nfs/dbraw/zinc/24/29/21/650242921.db2.gz BREPWIRNJQRDEG-UHFFFAOYSA-N 0 3 268.364 2.972 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000116592953 636479960 /nfs/dbraw/zinc/47/99/60/636479960.db2.gz 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/nfs/dbraw/zinc/57/23/87/637572387.db2.gz BIWKTGLEAILNAD-UHFFFAOYSA-N 0 3 299.374 2.673 20 30 CFEDHN Cc1cc(NN=Cc2c(Cl)n(C)nc2C(C)C)ccn1 ZINC000863158642 637573056 /nfs/dbraw/zinc/57/30/56/637573056.db2.gz KFDMOXDFMKHERV-UHFFFAOYSA-N 0 3 291.786 2.768 20 30 CFEDHN C[C@@H]1C[C@@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000863452795 637662572 /nfs/dbraw/zinc/66/25/72/637662572.db2.gz VOHJHCLSWFNVDJ-UKRRQHHQSA-N 0 3 274.364 2.530 20 30 CFEDHN C=CCCCN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000076664842 650396745 /nfs/dbraw/zinc/39/67/45/650396745.db2.gz HMRIQYPDWARWDE-UHFFFAOYSA-N 0 3 274.324 2.800 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000865593366 638446907 /nfs/dbraw/zinc/44/69/07/638446907.db2.gz KTADEIFEJSMSJD-NSHDSACASA-N 0 3 289.297 2.844 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCC(C)(C)F)cc1 ZINC000865654190 638490903 /nfs/dbraw/zinc/49/09/03/638490903.db2.gz LKIDAOITDAQMCI-NSHDSACASA-N 0 3 250.317 2.815 20 30 CFEDHN N#Cc1ccc(CNCC[C@H](O)C2CCCC2)c(F)c1 ZINC000865874455 638633994 /nfs/dbraw/zinc/63/39/94/638633994.db2.gz DECHZOYPVIQPDJ-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866240769 638777646 /nfs/dbraw/zinc/77/76/46/638777646.db2.gz MXOWORAYVASSGI-UONOGXRCSA-N 0 3 287.407 2.646 20 30 CFEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(C)cc1 ZINC000121736718 638889064 /nfs/dbraw/zinc/88/90/64/638889064.db2.gz GZQVKCSEYKUOJL-XJKSGUPXSA-N 0 3 298.386 2.866 20 30 CFEDHN C=CCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000121995080 638918901 /nfs/dbraw/zinc/91/89/01/638918901.db2.gz PRDRSLRQSGJAFM-UHFFFAOYSA-N 0 3 278.371 2.923 20 30 CFEDHN C#CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868816424 638982118 /nfs/dbraw/zinc/98/21/18/638982118.db2.gz IIUUOFYTOSYLKT-UHFFFAOYSA-N 0 3 288.391 2.745 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccsc1 ZINC000193365943 650647071 /nfs/dbraw/zinc/64/70/71/650647071.db2.gz MHURGURIJITKHT-ZDUSSCGKSA-N 0 3 292.404 2.696 20 30 CFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccoc1 ZINC000193397398 650650092 /nfs/dbraw/zinc/65/00/92/650650092.db2.gz QCFZTDMJEDQRNF-LBPRGKRZSA-N 0 3 288.690 2.894 20 30 CFEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000124149588 641857287 /nfs/dbraw/zinc/85/72/87/641857287.db2.gz WPAQHVXNEPVPLQ-CZUORRHYSA-N 0 3 298.386 2.866 20 30 CFEDHN C#CCSCCNCc1ccc(F)cc1Cl ZINC000124312268 641959401 /nfs/dbraw/zinc/95/94/01/641959401.db2.gz DBOSZWGJSOKVAC-UHFFFAOYSA-N 0 3 257.761 2.935 20 30 CFEDHN COC(=O)C1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000873046466 641994732 /nfs/dbraw/zinc/99/47/32/641994732.db2.gz MIEAWIDALYCCIX-UHFFFAOYSA-N 0 3 290.338 2.519 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)c(F)c1 ZINC000873155581 642038399 /nfs/dbraw/zinc/03/83/99/642038399.db2.gz GCROYBPPVCCSAQ-IVMMDQJWSA-N 0 3 274.339 2.745 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cccc(F)c2C#N)CC1 ZINC000873198183 642062578 /nfs/dbraw/zinc/06/25/78/642062578.db2.gz WWJUMGMAEDQNEP-MQMHXKEQSA-N 0 3 256.324 2.979 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873498041 642223775 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ZINC000876568260 642927502 /nfs/dbraw/zinc/92/75/02/642927502.db2.gz HCACUTCMRBMGBF-FQUUOJAGSA-N 0 3 284.831 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000876575699 642930265 /nfs/dbraw/zinc/93/02/65/642930265.db2.gz PHVJZGTULALUFR-WCQYABFASA-N 0 3 266.772 2.642 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C1CCCCC1 ZINC000876575457 642930576 /nfs/dbraw/zinc/93/05/76/642930576.db2.gz FSFVAKBXZPVIKV-JQWIXIFHSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000876578626 642932324 /nfs/dbraw/zinc/93/23/24/642932324.db2.gz VBKPTZBZNXSFIQ-SNVBAGLBSA-N 0 3 290.697 2.696 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OC(C)C ZINC000876583955 642932985 /nfs/dbraw/zinc/93/29/85/642932985.db2.gz BZWCTTVLKRFKEY-NSHDSACASA-N 0 3 282.771 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000876586720 642935277 /nfs/dbraw/zinc/93/52/77/642935277.db2.gz ILADUNXKDCEUND-LBPRGKRZSA-N 0 3 282.746 2.575 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000876591910 642936855 /nfs/dbraw/zinc/93/68/55/642936855.db2.gz CLPDMHFOEXUDGY-CABCVRRESA-N 0 3 292.810 2.548 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccccc1OC ZINC000876592192 642937282 /nfs/dbraw/zinc/93/72/82/642937282.db2.gz RPNLJVTUYBURHX-OLZOCXBDSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(C)C)C1CCCC1 ZINC000876601226 642940700 /nfs/dbraw/zinc/94/07/00/642940700.db2.gz YMPRKCFFYSVGHV-CYBMUJFWSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1CC ZINC000876602818 642942029 /nfs/dbraw/zinc/94/20/29/642942029.db2.gz GXRNFYSAINAGNK-SDDRHHMPSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000876618936 642947979 /nfs/dbraw/zinc/94/79/79/642947979.db2.gz JOJUJWYURZCYFJ-NOZJJQNGSA-N 0 3 284.762 2.515 20 30 CFEDHN C#CCCCCCCN1CCN(Cc2cscn2)CC1 ZINC000876633004 642950931 /nfs/dbraw/zinc/95/09/31/642950931.db2.gz KWTQYVSEYNMZOB-UHFFFAOYSA-N 0 3 291.464 2.844 20 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284.812 2.841 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)Oc2cc(C)ccc21 ZINC000876665616 642963632 /nfs/dbraw/zinc/96/36/32/642963632.db2.gz CUVRXNFCDIJPDO-NEPJUHHUSA-N 0 3 294.782 2.579 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000876671773 642966163 /nfs/dbraw/zinc/96/61/63/642966163.db2.gz QCODJIQAUZQRGH-WOPDTQHZSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(C)s1 ZINC000876673431 642967295 /nfs/dbraw/zinc/96/72/95/642967295.db2.gz NDYGLRGMWTVOOG-JOYOIKCWSA-N 0 3 286.828 2.574 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000876671770 642967339 /nfs/dbraw/zinc/96/73/39/642967339.db2.gz QCODJIQAUZQRGH-SRVKXCTJSA-N 0 3 258.793 2.541 20 30 CFEDHN C=CCOc1ccccc1CN1CCC2(CC1)OCCO2 ZINC000126094478 642969410 /nfs/dbraw/zinc/96/94/10/642969410.db2.gz WHNFGAYWRRCEDZ-UHFFFAOYSA-N 0 3 289.375 2.590 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC2(C1)CCCCC2 ZINC000876684905 642971645 /nfs/dbraw/zinc/97/16/45/642971645.db2.gz 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/nfs/dbraw/zinc/04/72/57/643047257.db2.gz ARCFCWYAMZQRLP-WCFLWFBJSA-N 0 3 272.820 2.884 20 30 CFEDHN CC(C)[C@H]1CCN1Cc1cc(C#N)ccc1N(C)C ZINC000876879164 643047645 /nfs/dbraw/zinc/04/76/45/643047645.db2.gz OGJSTMUGTUQBBP-OAHLLOKOSA-N 0 3 257.381 2.855 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000876882339 643050322 /nfs/dbraw/zinc/05/03/22/643050322.db2.gz GOUDNUOFMVJXAU-USWWRNFRSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(CCC)cs1 ZINC000876903997 643058921 /nfs/dbraw/zinc/05/89/21/643058921.db2.gz RDXRSPVFQCHOMF-VIFPVBQESA-N 0 3 273.789 2.504 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000876938933 643072666 /nfs/dbraw/zinc/07/26/66/643072666.db2.gz BVEXHDNVJIGCLF-UKRRQHHQSA-N 0 3 282.815 2.805 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccccc1F ZINC000876949956 643076527 /nfs/dbraw/zinc/07/65/27/643076527.db2.gz ZKMACPXMKPCTLH-STQMWFEESA-N 0 3 284.762 2.863 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@H]1CC2CCC1CC2 ZINC000876953140 643077218 /nfs/dbraw/zinc/07/72/18/643077218.db2.gz ZFWMPJQWGWMAKW-DQRRXLOISA-N 0 3 284.831 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000876970102 643087505 /nfs/dbraw/zinc/08/75/05/643087505.db2.gz IVSPRSWTYQIJNB-KMUNFCNLSA-N 0 3 292.810 2.814 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCc2c(C)cccc21 ZINC000876977460 643090320 /nfs/dbraw/zinc/09/03/20/643090320.db2.gz YOGNYGSJTGFRFJ-CABCVRRESA-N 0 3 292.810 2.959 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)CC(F)(F)F ZINC000876983612 643092170 /nfs/dbraw/zinc/09/21/70/643092170.db2.gz ZUSUIMMEKXHTQT-QMMMGPOBSA-N 0 3 286.725 2.551 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877009116 643102090 /nfs/dbraw/zinc/10/20/90/643102090.db2.gz HNEKYLONZNDKCQ-UHFFFAOYSA-N 0 3 274.408 2.831 20 30 CFEDHN C=C(Br)CNCc1c(C)cccc1O ZINC000877020046 643106348 /nfs/dbraw/zinc/10/63/48/643106348.db2.gz JUFNQDCBKTWTOJ-UHFFFAOYSA-N 0 3 256.143 2.699 20 30 CFEDHN CC1(C)CCC(C)(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000877034153 643112656 /nfs/dbraw/zinc/11/26/56/643112656.db2.gz ABSQFEGUMGGDTI-CYBMUJFWSA-N 0 3 279.428 2.873 20 30 CFEDHN CC1(C)CCC(C)(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000877034154 643112724 /nfs/dbraw/zinc/11/27/24/643112724.db2.gz ABSQFEGUMGGDTI-ZDUSSCGKSA-N 0 3 279.428 2.873 20 30 CFEDHN CO[C@@H](CNCc1cc(C#N)ccc1F)CC(C)C ZINC000877067188 643131354 /nfs/dbraw/zinc/13/13/54/643131354.db2.gz BSRHNWXRUVLMKC-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN C#CCCCNCc1nnn(-c2ccccc2)c1C1CC1 ZINC000877069463 643133349 /nfs/dbraw/zinc/13/33/49/643133349.db2.gz AXTMKFKRWVUWSK-UHFFFAOYSA-N 0 3 280.375 2.648 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CC1(F)F ZINC000877069244 643133378 /nfs/dbraw/zinc/13/33/78/643133378.db2.gz YQAYDHYZGKVXBX-KWQFWETISA-N 0 3 254.255 2.831 20 30 CFEDHN C[C@]1(CNCc2cc(C#N)cnc2Cl)CCCC[C@@H]1O ZINC000877081715 643140961 /nfs/dbraw/zinc/14/09/61/643140961.db2.gz QWCYLHIBJYPIEJ-DZGCQCFKSA-N 0 3 293.798 2.637 20 30 CFEDHN C=C[C@H](C)NCc1ccc(C(=O)OC)c(Br)c1 ZINC000877086961 643144434 /nfs/dbraw/zinc/14/44/34/643144434.db2.gz CSGXLVWGRULYEB-VIFPVBQESA-N 0 3 298.180 2.900 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCOC3(CCC3)C2)c1 ZINC000877090324 643146525 /nfs/dbraw/zinc/14/65/25/643146525.db2.gz UILKVTVHJQPKOC-ZDUSSCGKSA-N 0 3 291.782 2.798 20 30 CFEDHN C[C@H]1C[C@@H](CCNCc2cc(C#N)cnc2Cl)CCO1 ZINC000877309519 643230645 /nfs/dbraw/zinc/23/06/45/643230645.db2.gz MNRNNHALFQCCFU-RYUDHWBXSA-N 0 3 293.798 2.901 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC2Cc3ccccc3C2)c1 ZINC000877362206 643247722 /nfs/dbraw/zinc/24/77/22/643247722.db2.gz YQJYYEKRUAPZNE-UHFFFAOYSA-N 0 3 283.762 2.864 20 30 CFEDHN CC[C@H](CC#N)NCC(C)(C)CNC(=O)OC(C)(C)C ZINC000877363788 643248301 /nfs/dbraw/zinc/24/83/01/643248301.db2.gz HXSSZBMRJUHFRW-GFCCVEGCSA-N 0 3 283.416 2.819 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000877425778 643266492 /nfs/dbraw/zinc/26/64/92/643266492.db2.gz PEVSLGUCYQJLFP-MWLCHTKSSA-N 0 3 260.809 2.597 20 30 CFEDHN Cc1cccc(CCNCc2cc(C#N)cnc2Cl)n1 ZINC000877486571 643302014 /nfs/dbraw/zinc/30/20/14/643302014.db2.gz KZCRHKNMPIKFJP-UHFFFAOYSA-N 0 3 286.766 2.642 20 30 CFEDHN CCC[C@H](NCc1cccc(C#N)n1)[C@H](O)c1ccccc1 ZINC000877488253 643303311 /nfs/dbraw/zinc/30/33/11/643303311.db2.gz DBRDMEXEVNHXTN-ZWKOTPCHSA-N 0 3 295.386 2.945 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877496889 643308956 /nfs/dbraw/zinc/30/89/56/643308956.db2.gz YCOWARQEAWRDFL-GXTWGEPZSA-N 0 3 291.782 2.677 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(Cl)cs1 ZINC000877496090 643309127 /nfs/dbraw/zinc/30/91/27/643309127.db2.gz MMXXXFQLDYOXHY-SKDRFNHKSA-N 0 3 272.801 2.867 20 30 CFEDHN C#C[C@@H](NCCC1CCOCC1)c1ccc(F)cc1 ZINC000877544818 643346132 /nfs/dbraw/zinc/34/61/32/643346132.db2.gz XZPHMOUNUSQDPK-MRXNPFEDSA-N 0 3 261.340 2.906 20 30 CFEDHN CS[C@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877562922 643363058 /nfs/dbraw/zinc/36/30/58/643363058.db2.gz FCJVQPVFPYDXED-AWEZNQCLSA-N 0 3 275.421 2.562 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2cc(C#N)cnc2Cl)[C@H](C)O1 ZINC000877589532 643383855 /nfs/dbraw/zinc/38/38/55/643383855.db2.gz PTXJOLFTVHUYAY-SCVCMEIPSA-N 0 3 279.771 2.510 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccnn2CC2CCC2)C1 ZINC000877604854 643392229 /nfs/dbraw/zinc/39/22/29/643392229.db2.gz IBERQSMWYPMQBM-HNNXBMFYSA-N 0 3 271.408 2.919 20 30 CFEDHN C[C@@H]1SCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877608567 643396068 /nfs/dbraw/zinc/39/60/68/643396068.db2.gz UMKFAXRTLTYOFQ-GZMMTYOYSA-N 0 3 267.785 2.590 20 30 CFEDHN Cc1ccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c([O-])c1 ZINC000877610649 643396743 /nfs/dbraw/zinc/39/67/43/643396743.db2.gz WCATWWVOJKRIIH-SFHVURJKSA-N 0 3 296.370 2.738 20 30 CFEDHN Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c([O-])c1 ZINC000877610649 643396752 /nfs/dbraw/zinc/39/67/52/643396752.db2.gz WCATWWVOJKRIIH-SFHVURJKSA-N 0 3 296.370 2.738 20 30 CFEDHN COc1cc(C)nc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000877703675 643469005 /nfs/dbraw/zinc/46/90/05/643469005.db2.gz CVUDQPZYOHZMDS-UHFFFAOYSA-N 0 3 295.386 2.945 20 30 CFEDHN N#Cc1csc(CN2CC[C@H]3CSC[C@H]3C2)c1 ZINC000877738390 643500414 /nfs/dbraw/zinc/50/04/14/643500414.db2.gz KUQFPBDBEYXDAI-NWDGAFQWSA-N 0 3 264.419 2.805 20 30 CFEDHN N#CC1CCC(NCc2ncc(Cl)s2)CC1 ZINC000877806018 643568258 /nfs/dbraw/zinc/56/82/58/643568258.db2.gz CJLUQUNVCLLFRN-UHFFFAOYSA-N 0 3 255.774 2.968 20 30 CFEDHN C#Cc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000877842085 643604816 /nfs/dbraw/zinc/60/48/16/643604816.db2.gz DQKGTEZKJZHVHS-HNNXBMFYSA-N 0 3 287.326 2.514 20 30 CFEDHN C=CC[C@@H](C)N1CCCN(CC(F)(F)F)CC1 ZINC000877960043 643664694 /nfs/dbraw/zinc/66/46/94/643664694.db2.gz YSBRBZPXULYHOP-LLVKDONJSA-N 0 3 250.308 2.521 20 30 CFEDHN CC1(C#N)CCN(C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878389814 643868738 /nfs/dbraw/zinc/86/87/38/643868738.db2.gz VNFCXLAWJJOHGN-HNNXBMFYSA-N 0 3 292.423 2.588 20 30 CFEDHN COC(=O)c1cc(CN2CCC(CC#N)CC2)ccc1C ZINC000878396405 643872107 /nfs/dbraw/zinc/87/21/07/643872107.db2.gz MYIVYFHEVBZPPX-UHFFFAOYSA-N 0 3 286.375 2.907 20 30 CFEDHN N#CCC1(CN2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000879037444 644121463 /nfs/dbraw/zinc/12/14/63/644121463.db2.gz ZIPLLSZFUYBCRT-KRWDZBQOSA-N 0 3 270.376 2.664 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1cc(CO)ccc1F ZINC000879433442 644270345 /nfs/dbraw/zinc/27/03/45/644270345.db2.gz ZORCXNMUUKHYGY-UHFFFAOYSA-N 0 3 298.361 2.864 20 30 CFEDHN CC(C)C(=O)CCN(C)CCc1cccc(C#N)c1 ZINC000879433626 644270497 /nfs/dbraw/zinc/27/04/97/644270497.db2.gz ZAJBYZQDPGEVIB-UHFFFAOYSA-N 0 3 258.365 2.648 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000879562228 644322554 /nfs/dbraw/zinc/32/25/54/644322554.db2.gz CADIRZWLPFYLGS-LSDHHAIUSA-N 0 3 275.392 2.862 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C(C)(C)O)C1 ZINC000879964473 644478221 /nfs/dbraw/zinc/47/82/21/644478221.db2.gz YSGQJHQNPUYOHD-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN CC(C)(O)[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000879963231 644478326 /nfs/dbraw/zinc/47/83/26/644478326.db2.gz HPAQQZIPHNOTTA-HNNXBMFYSA-N 0 3 275.367 2.660 20 30 CFEDHN C[C@]1(C(F)(F)F)CCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000879999813 644489913 /nfs/dbraw/zinc/48/99/13/644489913.db2.gz BJNZRNADLRRODU-KBPBESRZSA-N 0 3 298.308 2.866 20 30 CFEDHN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CC[C@@H](C#N)C1 ZINC000880079739 644524660 /nfs/dbraw/zinc/52/46/60/644524660.db2.gz JLCHQNZGXSANEG-FVQBIDKESA-N 0 3 299.374 2.636 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098109 644531777 /nfs/dbraw/zinc/53/17/77/644531777.db2.gz HMXMJWZUJKYUDW-SNVBAGLBSA-N 0 3 274.286 2.954 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001017344822 650940933 /nfs/dbraw/zinc/94/09/33/650940933.db2.gz QCYCQOLVUKAMAU-ZACQAIPSSA-N 0 3 288.435 2.984 20 30 CFEDHN C[C@@H](c1ccccc1)N1CCN(CCCC#N)CC1 ZINC000880249033 644610709 /nfs/dbraw/zinc/61/07/09/644610709.db2.gz RCMBRXXVHIBXPZ-HNNXBMFYSA-N 0 3 257.381 2.669 20 30 CFEDHN C#CCC1(O)CCN(CCOc2c(C)cccc2C)CC1 ZINC000880478230 644729998 /nfs/dbraw/zinc/72/99/98/644729998.db2.gz XZFOMEBWECWNAL-UHFFFAOYSA-N 0 3 287.403 2.532 20 30 CFEDHN C#CCC1(O)CCN(CCCCC(F)(F)F)CC1 ZINC000880480993 644730671 /nfs/dbraw/zinc/73/06/71/644730671.db2.gz JZYIKKCBVSSYRZ-UHFFFAOYSA-N 0 3 263.303 2.569 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000880659163 644799156 /nfs/dbraw/zinc/79/91/56/644799156.db2.gz ZCPJUPJMVNLYAX-GFCCVEGCSA-N 0 3 252.402 2.578 20 30 CFEDHN CN1CCC[C@@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000881124934 644913149 /nfs/dbraw/zinc/91/31/49/644913149.db2.gz ZORFIFWNWTVOBS-OAHLLOKOSA-N 0 3 298.390 2.651 20 30 CFEDHN C#CCNC(=O)CN[C@H](c1ccc(CCC)cc1)C(C)C ZINC000096955906 651005721 /nfs/dbraw/zinc/00/57/21/651005721.db2.gz IPJPGOPOHXKAQI-SFHVURJKSA-N 0 3 286.419 2.675 20 30 CFEDHN CCN1CC[C@@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000882960440 645530868 /nfs/dbraw/zinc/53/08/68/645530868.db2.gz JXIZDYHEQLTDEL-CQSZACIVSA-N 0 3 266.348 2.613 20 30 CFEDHN C#CC[C@@H](CO)NCc1ccc(-c2scnc2C)cc1 ZINC000883125562 645614001 /nfs/dbraw/zinc/61/40/01/645614001.db2.gz MTHIPVVFQWBEBX-HNNXBMFYSA-N 0 3 286.400 2.592 20 30 CFEDHN C=CCC[C@H](COc1ccccc1)N[C@@H](C)C(=O)NCC ZINC000883167446 645636543 /nfs/dbraw/zinc/63/65/43/645636543.db2.gz YPZFVGOEWCUJAK-LSDHHAIUSA-N 0 3 290.407 2.514 20 30 CFEDHN CC(C)(CNCc1nc(C#N)cs1)CC(F)F ZINC000883251555 645699403 /nfs/dbraw/zinc/69/94/03/645699403.db2.gz UICBMBMPLQAFDA-UHFFFAOYSA-N 0 3 259.325 2.786 20 30 CFEDHN C#CC1(NCc2ccc(C(=O)N3CCCC3)cc2)CCCC1 ZINC000883361516 645768248 /nfs/dbraw/zinc/76/82/48/645768248.db2.gz FVBZAVHKRWDEEU-UHFFFAOYSA-N 0 3 296.414 2.958 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1F ZINC000883389178 645786760 /nfs/dbraw/zinc/78/67/60/645786760.db2.gz LWZIJBZFKMXENG-RYUDHWBXSA-N 0 3 267.344 2.812 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccncc1Cl ZINC000883392937 645792565 /nfs/dbraw/zinc/79/25/65/645792565.db2.gz RJHIUQNJUHTQSZ-WDEREUQCSA-N 0 3 254.761 2.713 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cnc(C(C)C)s1 ZINC000883400881 645797236 /nfs/dbraw/zinc/79/72/36/645797236.db2.gz XNZKDJCODMYJRL-NSHDSACASA-N 0 3 254.399 2.683 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cnc(C(C)C)s1 ZINC000883400880 645797549 /nfs/dbraw/zinc/79/75/49/645797549.db2.gz XNZKDJCODMYJRL-LLVKDONJSA-N 0 3 254.399 2.683 20 30 CFEDHN CCN(Cc1ccoc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305093616 651048452 /nfs/dbraw/zinc/04/84/52/651048452.db2.gz ZIQDCOQNBSXRHT-MRXNPFEDSA-N 0 3 270.332 2.707 20 30 CFEDHN CCCC[C@@H](CCC)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884168041 646249575 /nfs/dbraw/zinc/24/95/75/646249575.db2.gz WFYRVZPTHJLSTL-GYMHETDLSA-N 0 3 291.439 2.601 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](N)CC2CC2)CCCC1 ZINC000884399118 646340615 /nfs/dbraw/zinc/34/06/15/646340615.db2.gz WPSLPVGPLCVXIE-AWEZNQCLSA-N 0 3 264.413 2.757 20 30 CFEDHN C=CC(C)(C)CC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000884409173 646345557 /nfs/dbraw/zinc/34/55/57/646345557.db2.gz BSQRBPMFPHNPHB-OAHLLOKOSA-N 0 3 288.391 2.888 20 30 CFEDHN N#CC(C(=O)CCc1ccncc1)c1nc2ccccc2[nH]1 ZINC000136107836 646739974 /nfs/dbraw/zinc/73/99/74/646739974.db2.gz CRQJCPNFYZNYJT-ZDUSSCGKSA-N 0 3 290.326 2.767 20 30 CFEDHN C[C@@H](c1ccco1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885967295 646788008 /nfs/dbraw/zinc/78/80/08/646788008.db2.gz LPFKVPGZSLHJMP-QWHCGFSZSA-N 0 3 262.353 2.717 20 30 CFEDHN Cc1cccc2c1CCN(C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000885988418 646797461 /nfs/dbraw/zinc/79/74/61/646797461.db2.gz IZQUDEPGJBZSLR-INIZCTEOSA-N 0 3 284.403 2.798 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccccn2)CCC1 ZINC000886036204 646833991 /nfs/dbraw/zinc/83/39/91/646833991.db2.gz WBCDTRNPKMGSJP-GDBMZVCRSA-N 0 3 285.391 2.663 20 30 CFEDHN C=C[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000136662280 646867885 /nfs/dbraw/zinc/86/78/85/646867885.db2.gz YMQPWCLAFNKWDW-DZGCQCFKSA-N 0 3 284.359 2.580 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC=C(c3ccco3)C2)CCC1 ZINC000886201363 646917231 /nfs/dbraw/zinc/91/72/31/646917231.db2.gz CJCRMINAWFNZHU-HNNXBMFYSA-N 0 3 286.375 2.814 20 30 CFEDHN C#CCN1CCC[C@H](NCc2cscc2Cl)C1 ZINC000886211537 646923710 /nfs/dbraw/zinc/92/37/10/646923710.db2.gz ROCPZCGSJGUWGW-LBPRGKRZSA-N 0 3 268.813 2.589 20 30 CFEDHN C#CCN1CCC[C@H](NCc2ccnc(Cl)c2Cl)C1 ZINC000886211886 646924078 /nfs/dbraw/zinc/92/40/78/646924078.db2.gz ZWTZCEPROKIEMP-LBPRGKRZSA-N 0 3 298.217 2.576 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354030 646983098 /nfs/dbraw/zinc/98/30/98/646983098.db2.gz UWRGLWIDDDJSML-HZPDHXFCSA-N 0 3 296.414 2.700 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354105 646983125 /nfs/dbraw/zinc/98/31/25/646983125.db2.gz VZVUZJUEWPGSAN-HUUCEWRRSA-N 0 3 270.376 2.667 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000886356004 646984395 /nfs/dbraw/zinc/98/43/95/646984395.db2.gz ROUROFZWQOUTOW-CABCVRRESA-N 0 3 284.403 2.921 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000886355007 646984663 /nfs/dbraw/zinc/98/46/63/646984663.db2.gz APFMMRGORPHYSW-CVEARBPZSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CCC1(NCc2ccc(Cl)o2)CCOCC1 ZINC000886381567 646993379 /nfs/dbraw/zinc/99/33/79/646993379.db2.gz IMOSPBCYZWNKMR-UHFFFAOYSA-N 0 3 253.729 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280.412 2.586 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933682138 649713495 /nfs/dbraw/zinc/71/34/95/649713495.db2.gz URUCGDJWFWZLKR-JKSUJKDBSA-N 0 3 294.439 2.976 20 30 CFEDHN CN(CC[C@H]1COC(C)(C)O1)Cc1cc(C#N)cs1 ZINC000933771970 649721033 /nfs/dbraw/zinc/72/10/33/649721033.db2.gz WGLROYQSDOIUMV-LBPRGKRZSA-N 0 3 280.393 2.593 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)CCN1C ZINC000933857843 649726096 /nfs/dbraw/zinc/72/60/96/649726096.db2.gz DEKQANKVSXHOIU-NHYWBVRUSA-N 0 3 298.390 2.650 20 30 CFEDHN C[C@H](CCC#N)N1CCN(c2ccccc2)[C@H](C)C1 ZINC000934322250 649773623 /nfs/dbraw/zinc/77/36/23/649773623.db2.gz KXHRBBDFTAADSK-HUUCEWRRSA-N 0 3 257.381 2.889 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934347955 649778517 /nfs/dbraw/zinc/77/85/17/649778517.db2.gz APECQQAXUSAKET-CZUORRHYSA-N 0 3 276.380 2.554 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCOC23CCCC3)c(F)c1 ZINC000934397216 649783591 /nfs/dbraw/zinc/78/35/91/649783591.db2.gz 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773203740 /nfs/dbraw/zinc/20/37/40/773203740.db2.gz XQNBLZYVGYIWHQ-UHFFFAOYSA-N 0 3 284.403 2.639 20 30 CFEDHN C=CCN(C)CCNC(=O)c1cc2cscc2s1 ZINC001267207842 773209626 /nfs/dbraw/zinc/20/96/26/773209626.db2.gz QFGZTIADOWSSAX-UHFFFAOYSA-N 0 3 280.418 2.810 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001267213471 773215540 /nfs/dbraw/zinc/21/55/40/773215540.db2.gz NFDLELUZZCWJSQ-UHFFFAOYSA-N 0 3 278.440 2.827 20 30 CFEDHN C=CCN(C)CCNC(=O)c1cc2ccccc2n1CC ZINC001267232430 773234850 /nfs/dbraw/zinc/23/48/50/773234850.db2.gz HYQGTYZTHZXDDN-UHFFFAOYSA-N 0 3 285.391 2.509 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)C[C@@H]1CCCC1(F)F ZINC001267275063 775139755 /nfs/dbraw/zinc/13/97/55/775139755.db2.gz SUYUXEZHVBYBOB-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001267296250 775168169 /nfs/dbraw/zinc/16/81/69/775168169.db2.gz JRVCFNKWOMONCE-HNNXBMFYSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@H]1CCN1C(C)C)c1ccccc1 ZINC001276977963 775212653 /nfs/dbraw/zinc/21/26/53/775212653.db2.gz KABRAMRVVUYTAD-DOTOQJQBSA-N 0 3 286.419 2.945 20 30 CFEDHN N#Cc1cncc(CN2CC[C@H](c3ccccc3)C2)c1 ZINC000721571798 775255219 /nfs/dbraw/zinc/25/52/19/775255219.db2.gz JRVHWNGBSPANCE-KRWDZBQOSA-N 0 3 263.344 2.943 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001224713970 775257766 /nfs/dbraw/zinc/25/77/66/775257766.db2.gz WYLRVYCOIPHBAZ-INIZCTEOSA-N 0 3 278.440 2.520 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](C)CC2CCCC2)CC1 ZINC001224739445 775263595 /nfs/dbraw/zinc/26/35/95/775263595.db2.gz NKQVRWHECAVIBJ-OAHLLOKOSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCCCCCC[C@@H](C)OC[C@@H]1CNCCO1 ZINC001217894225 775358791 /nfs/dbraw/zinc/35/87/91/775358791.db2.gz ARYHJPKEAAMYGA-CABCVRRESA-N 0 3 255.402 2.907 20 30 CFEDHN C#CCCN[C@H](CNC(=O)[C@H](C)CC)c1ccccc1 ZINC001267518092 775413051 /nfs/dbraw/zinc/41/30/51/775413051.db2.gz XHHDWXPQPJWUCN-GDBMZVCRSA-N 0 3 272.392 2.503 20 30 CFEDHN C=C(C)CN[C@@H](CNC(=O)c1[nH]ccc1C)c1ccccc1 ZINC001267519426 775415386 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775491598 /nfs/dbraw/zinc/49/15/98/775491598.db2.gz BGNDJOPALJPZIV-UHFFFAOYSA-N 0 3 292.467 2.910 20 30 CFEDHN N#Cc1cnc(-n2nc(CN)c3ccccc32)c2ccccc12 ZINC001167695407 775502558 /nfs/dbraw/zinc/50/25/58/775502558.db2.gz HZEDWLZMVYDCQV-UHFFFAOYSA-N 0 3 299.337 2.904 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CCCO1 ZINC000122106049 775513730 /nfs/dbraw/zinc/51/37/30/775513730.db2.gz MTPFXZMADSHIRI-CHWSQXEVSA-N 0 3 297.358 2.709 20 30 CFEDHN N#Cc1ccc(-n2nc(CN)c3ccccc32)c2cc[nH]c21 ZINC001167697588 775525432 /nfs/dbraw/zinc/52/54/32/775525432.db2.gz AAKRULJTLKAIJL-UHFFFAOYSA-N 0 3 287.326 2.837 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038322702 775534594 /nfs/dbraw/zinc/53/45/94/775534594.db2.gz NWAMLTKBIWXHHV-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC001225639615 775535755 /nfs/dbraw/zinc/53/57/55/775535755.db2.gz VLRZKQQRJFULEH-NVXWUHKLSA-N 0 3 290.451 2.664 20 30 CFEDHN N#Cc1nccc2cc(-n3nc(CN)c4ccccc43)ccc21 ZINC001167701943 775538506 /nfs/dbraw/zinc/53/85/06/775538506.db2.gz YELJLDZUEFOBBM-UHFFFAOYSA-N 0 3 299.337 2.904 20 30 CFEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025187734 775561070 /nfs/dbraw/zinc/56/10/70/775561070.db2.gz CRKJVQHFDVEDGP-KGLIPLIRSA-N 0 3 282.403 2.766 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001025190035 775561613 /nfs/dbraw/zinc/56/16/13/775561613.db2.gz UZXAUZVLOAFYGK-DLBZAZTESA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001025211743 775570058 /nfs/dbraw/zinc/57/00/58/775570058.db2.gz FQXKUXNHFMKGQR-DLBZAZTESA-N 0 3 288.435 2.655 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025215742 775572009 /nfs/dbraw/zinc/57/20/09/775572009.db2.gz CGKNHZOFQSBNCR-WCLYRPPWSA-N 0 3 288.435 2.821 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025236390 775578209 /nfs/dbraw/zinc/57/82/09/775578209.db2.gz UHHYTPSZFMXQTI-HZPDHXFCSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025259550 775581285 /nfs/dbraw/zinc/58/12/85/775581285.db2.gz OMHLCZDLZRTYPL-HOTGVXAUSA-N 0 3 290.451 2.901 20 30 CFEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001025328966 775606379 /nfs/dbraw/zinc/60/63/79/775606379.db2.gz LUCJOFYIUWEDLF-KBPBESRZSA-N 0 3 290.432 2.602 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025362291 775622760 /nfs/dbraw/zinc/62/27/60/775622760.db2.gz UNFABGNEFCFPDC-WBVHZDCISA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@H]1C ZINC001104724279 775667841 /nfs/dbraw/zinc/66/78/41/775667841.db2.gz OPNNJSQAFIVHGY-BNOWGMLFSA-N 0 3 296.842 2.613 20 30 CFEDHN CC(C)CO[C@H]1C[C@@H](NCC(C)(C)C#N)C1(C)C ZINC000122305366 775690059 /nfs/dbraw/zinc/69/00/59/775690059.db2.gz YCRGQURBLBNRCN-OLZOCXBDSA-N 0 3 252.402 2.965 20 30 CFEDHN CC(C)[NH+]1CCC(Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226114274 775703088 /nfs/dbraw/zinc/70/30/88/775703088.db2.gz IJBRFVDMSXRICF-LFIBNONCSA-N 0 3 262.353 2.746 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC001025611212 775706964 /nfs/dbraw/zinc/70/69/64/775706964.db2.gz KFXCQEAOKYUIOL-SJORKVTESA-N 0 3 298.430 2.767 20 30 CFEDHN CCC/C=C\CCN1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001267625746 775711403 /nfs/dbraw/zinc/71/14/03/775711403.db2.gz DRIOUMMCKJDIDS-CHYADLBTSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC(CNC(=O)C[C@@H](C)c2ccccc2C)C1 ZINC001267694135 775783019 /nfs/dbraw/zinc/78/30/19/775783019.db2.gz BQFFIDBKBCVPDU-MRXNPFEDSA-N 0 3 298.430 2.560 20 30 CFEDHN CCN1CC[C@@H](Oc2nc(C(C)C)ccc2C#N)C1 ZINC001226355473 775787860 /nfs/dbraw/zinc/78/78/60/775787860.db2.gz HADHKFDPIDTIES-CYBMUJFWSA-N 0 3 259.353 2.550 20 30 CFEDHN C#CCCN1CC(CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001267700121 775789884 /nfs/dbraw/zinc/78/98/84/775789884.db2.gz JWNFAJLQNXMPAB-MRXNPFEDSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001267700472 775790209 /nfs/dbraw/zinc/79/02/09/775790209.db2.gz PCFKIHYFNWCODF-HOTGVXAUSA-N 0 3 288.366 2.691 20 30 CFEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCC(F)(F)C1 ZINC001267704149 775792424 /nfs/dbraw/zinc/79/24/24/775792424.db2.gz HBFJLBCAVCIPIS-IHRRRGAJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC=CCC1 ZINC001267716286 775805979 /nfs/dbraw/zinc/80/59/79/775805979.db2.gz JGPIGDUIVLLMCM-IRXDYDNUSA-N 0 3 288.435 2.984 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001267734697 775830458 /nfs/dbraw/zinc/83/04/58/775830458.db2.gz UZGFAQUVMWVDLH-HNNXBMFYSA-N 0 3 278.440 2.807 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001267741290 775855681 /nfs/dbraw/zinc/85/56/81/775855681.db2.gz QKRMSTCHVBZFSH-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cc(C#N)cc(C)c1O[C@@H]1CN2CCC1CC2 ZINC001226522320 775859079 /nfs/dbraw/zinc/85/90/79/775859079.db2.gz VZKYWRGMSDQKSZ-OAHLLOKOSA-N 0 3 256.349 2.648 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267768358 775901562 /nfs/dbraw/zinc/90/15/62/775901562.db2.gz UODGWORDEHNZKY-KGLIPLIRSA-N 0 3 266.429 2.777 20 30 CFEDHN C=C(C)CCC(=O)NC[C@@H](CC)NCc1scnc1C ZINC001267808009 775948430 /nfs/dbraw/zinc/94/84/30/775948430.db2.gz JAKLHMOKQSHACG-CYBMUJFWSA-N 0 3 295.452 2.792 20 30 CFEDHN COc1ccc(C#N)c(OC2CCN(C3CC3)CC2)c1 ZINC001226791944 775967219 /nfs/dbraw/zinc/96/72/19/775967219.db2.gz UTFFMIYSQAOLCD-UHFFFAOYSA-N 0 3 272.348 2.572 20 30 CFEDHN C=CCCCCCCN1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001277159514 775987004 /nfs/dbraw/zinc/98/70/04/775987004.db2.gz INUOKBVITHZHPK-MRXNPFEDSA-N 0 3 288.435 2.843 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@H](CC)CC2CCCC2)CC1 ZINC001277188929 776137009 /nfs/dbraw/zinc/13/70/09/776137009.db2.gz DPLXZWMYMLQUKW-MRXNPFEDSA-N 0 3 290.451 2.855 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)/C=C(\C)CC)C[C@H]1C(F)(F)F ZINC001112098268 776139249 /nfs/dbraw/zinc/13/92/49/776139249.db2.gz BPYVZRNGZVLRHH-SXSOHVCJSA-N 0 3 290.329 2.508 20 30 CFEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000124801914 776215116 /nfs/dbraw/zinc/21/51/16/776215116.db2.gz INHUMIPTNHJKJY-MRXNPFEDSA-N 0 3 298.386 2.649 20 30 CFEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000124802111 776215532 /nfs/dbraw/zinc/21/55/32/776215532.db2.gz INHUMIPTNHJKJY-INIZCTEOSA-N 0 3 298.386 2.649 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001027287667 776282931 /nfs/dbraw/zinc/28/29/31/776282931.db2.gz OQGRTTINNKCAQQ-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001075564213 776290786 /nfs/dbraw/zinc/29/07/86/776290786.db2.gz IJWFYRRTUOLCSP-LSDHHAIUSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001027331943 776294388 /nfs/dbraw/zinc/29/43/88/776294388.db2.gz LRWIMBFUCIOOHN-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)sc2C)C1 ZINC001027481303 776331974 /nfs/dbraw/zinc/33/19/74/776331974.db2.gz IWRCENBRZXGBQS-AWEZNQCLSA-N 0 3 290.432 2.535 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)CC ZINC001227990579 776352011 /nfs/dbraw/zinc/35/20/11/776352011.db2.gz LMFHBBALDNJGAV-QJPTWQEYSA-N 0 3 276.783 2.504 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(CCC)cc2)C1 ZINC001027549489 776353806 /nfs/dbraw/zinc/35/38/06/776353806.db2.gz FNYXYELFJZSAHR-GOSISDBHSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001027603582 776377180 /nfs/dbraw/zinc/37/71/80/776377180.db2.gz LVYKDQQXOFPVFS-NVXWUHKLSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC001027671381 776404046 /nfs/dbraw/zinc/40/40/46/776404046.db2.gz URZBGOWRBJBDBR-AEFFLSMTSA-N 0 3 298.430 2.736 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC001027673582 776406337 /nfs/dbraw/zinc/40/63/37/776406337.db2.gz LRFLYUVWUWETEW-KRWDZBQOSA-N 0 3 298.430 2.520 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001027697195 776414170 /nfs/dbraw/zinc/41/41/70/776414170.db2.gz ULPJVCZOIYVHMK-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN COc1c(F)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001143522734 776445263 /nfs/dbraw/zinc/44/52/63/776445263.db2.gz BUEVNGDTBMGGBN-ZDUSSCGKSA-N 0 3 293.363 2.608 20 30 CFEDHN C#CC(C#C)Oc1ccc2ccccc2c1CN(C)C ZINC001228440337 776491630 /nfs/dbraw/zinc/49/16/30/776491630.db2.gz CIXCTHZHFCCKGB-UHFFFAOYSA-N 0 3 263.340 2.915 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)[C@H](C)CNCc1cccnc1 ZINC001268065531 776535453 /nfs/dbraw/zinc/53/54/53/776535453.db2.gz KWRQQYVZCAZYSD-CQSZACIVSA-N 0 3 289.423 2.620 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1cncs1 ZINC001268086108 776560567 /nfs/dbraw/zinc/56/05/67/776560567.db2.gz WNGLQWDFTRDSIU-SWLSCSKDSA-N 0 3 295.452 2.682 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028081076 776596503 /nfs/dbraw/zinc/59/65/03/776596503.db2.gz LPWCWENIHWHWJD-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001268102157 776599411 /nfs/dbraw/zinc/59/94/11/776599411.db2.gz CXFHNVXJCCGYHX-CQSZACIVSA-N 0 3 290.407 2.702 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001028090259 776609789 /nfs/dbraw/zinc/60/97/89/776609789.db2.gz SHOHBSBUHMAIAN-CQSZACIVSA-N 0 3 289.423 2.738 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001028102665 776622805 /nfs/dbraw/zinc/62/28/05/776622805.db2.gz DDQAKMORKPKCJB-OAHLLOKOSA-N 0 3 272.392 2.629 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001028104769 776624970 /nfs/dbraw/zinc/62/49/70/776624970.db2.gz LMZMUGDUBJLTPI-OAHLLOKOSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038883623 776643061 /nfs/dbraw/zinc/64/30/61/776643061.db2.gz DEQRWZDVZYVANI-LSDHHAIUSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001028138840 776653202 /nfs/dbraw/zinc/65/32/02/776653202.db2.gz XMYAGMLEYGDQAG-CQSZACIVSA-N 0 3 287.407 2.662 20 30 CFEDHN C/C=C(\C)C(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001268206593 776706132 /nfs/dbraw/zinc/70/61/32/776706132.db2.gz YDDTUUXVMSKDES-VIHDGPTJSA-N 0 3 298.430 2.735 20 30 CFEDHN C/C=C(/C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001268206589 776706657 /nfs/dbraw/zinc/70/66/57/776706657.db2.gz YDDTUUXVMSKDES-JZWGVLFKSA-N 0 3 298.430 2.735 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001075618382 776735515 /nfs/dbraw/zinc/73/55/15/776735515.db2.gz DPGAOKWNSJHJCW-JKSUJKDBSA-N 0 3 274.408 2.596 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)CCC ZINC001268350871 776759972 /nfs/dbraw/zinc/75/99/72/776759972.db2.gz RFPZNKCFSMJCOB-CMPLNLGQSA-N 0 3 260.809 2.660 20 30 CFEDHN COCCN1CCC(Oc2cc(C#N)ccc2Cl)CC1 ZINC001229250622 776766155 /nfs/dbraw/zinc/76/61/55/776766155.db2.gz NKRAZHMCRITIMO-UHFFFAOYSA-N 0 3 294.782 2.701 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028270184 776776488 /nfs/dbraw/zinc/77/64/88/776776488.db2.gz ZHOUDWWPKSLFCD-FGTMMUONSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1conc1C ZINC001268395287 776782921 /nfs/dbraw/zinc/78/29/21/776782921.db2.gz AIXLNMZQOKYTLZ-WBMJQRKESA-N 0 3 293.411 2.570 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001028297848 776841954 /nfs/dbraw/zinc/84/19/54/776841954.db2.gz NLGANTOJMLGFOZ-OAHLLOKOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001028304985 776847856 /nfs/dbraw/zinc/84/78/56/776847856.db2.gz DMYUGMRDTYCZBL-CYBMUJFWSA-N 0 3 293.436 2.530 20 30 CFEDHN CC#CCNCCN(CC)C(=O)c1c(C)[nH]c2ccccc21 ZINC001268465230 776851360 /nfs/dbraw/zinc/85/13/60/776851360.db2.gz XZWJQYLPHSLCKE-UHFFFAOYSA-N 0 3 297.402 2.551 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001028323866 776855365 /nfs/dbraw/zinc/85/53/65/776855365.db2.gz WGNHZXHFJFCTPN-MRXNPFEDSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CC(C)(C)C(=O)N(CC)CCNCc1ccc(F)cc1 ZINC001268468973 776855686 /nfs/dbraw/zinc/85/56/86/776855686.db2.gz HMCMFUAPCVPZCQ-UHFFFAOYSA-N 0 3 292.398 2.976 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028332102 776859127 /nfs/dbraw/zinc/85/91/27/776859127.db2.gz YKWHFRLJTKCSRA-UPTPFMHGSA-N 0 3 288.435 2.561 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028335257 776860074 /nfs/dbraw/zinc/86/00/74/776860074.db2.gz QXVUFPJSXSGJDR-GQGLESIBSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028338446 776861483 /nfs/dbraw/zinc/86/14/83/776861483.db2.gz AOBQATJXKBWYDW-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN N#CCCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000425972185 776872337 /nfs/dbraw/zinc/87/23/37/776872337.db2.gz WQPVBGZAOQMKTH-OCCSQVGLSA-N 0 3 273.336 2.809 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CCCN(CC(=C)C)[C@@H]1C ZINC001284133553 776916351 /nfs/dbraw/zinc/91/63/51/776916351.db2.gz YPOYURDBFMVLSB-CABCVRRESA-N 0 3 264.413 2.888 20 30 CFEDHN CCN1CCC[C@H](Oc2nc(C)cc(Cl)c2C#N)C1 ZINC001230183337 776957567 /nfs/dbraw/zinc/95/75/67/776957567.db2.gz LPGMXDODFXAMRP-NSHDSACASA-N 0 3 279.771 2.778 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC001230331738 776980842 /nfs/dbraw/zinc/98/08/42/776980842.db2.gz APJBYEHHCUIKEN-KRWDZBQOSA-N 0 3 284.403 2.723 20 30 CFEDHN C#CCNC/C=C/CNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001268601634 776995593 /nfs/dbraw/zinc/99/55/93/776995593.db2.gz WKLBJQVCXAFDOA-GFOMBABLSA-N 0 3 298.430 2.712 20 30 CFEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)c1ccsc1 ZINC001268635512 777003636 /nfs/dbraw/zinc/00/36/36/777003636.db2.gz DUTGUPKELHIWND-CQSZACIVSA-N 0 3 298.411 2.508 20 30 CFEDHN C=C(C)CCC(=O)N[C@@H](C)CNCc1ccnc(Cl)c1 ZINC001268687879 777022433 /nfs/dbraw/zinc/02/24/33/777022433.db2.gz KUFNKPGDCPBHDT-LBPRGKRZSA-N 0 3 295.814 2.686 20 30 CFEDHN N#Cc1ccc(F)cc1OC1CCN(C2CC2)CC1 ZINC001230636014 777032344 /nfs/dbraw/zinc/03/23/44/777032344.db2.gz AKEBNCIIGDUXBZ-UHFFFAOYSA-N 0 3 260.312 2.703 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)C[C@H]1CCCCO1 ZINC001268748491 777041640 /nfs/dbraw/zinc/04/16/40/777041640.db2.gz GOKJWHNFNYCTRI-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)CCC(F)(F)F ZINC001268785706 777054493 /nfs/dbraw/zinc/05/44/93/777054493.db2.gz GLSQBEPLZUAYGI-UHFFFAOYSA-N 0 3 286.725 2.520 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001230761999 777058743 /nfs/dbraw/zinc/05/87/43/777058743.db2.gz DSCSTSLYKUEJIR-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cn[nH]c1 ZINC001230843652 777073962 /nfs/dbraw/zinc/07/39/62/777073962.db2.gz ACSOPAMDGGIKRI-HNNXBMFYSA-N 0 3 292.427 2.526 20 30 CFEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001268959738 777079470 /nfs/dbraw/zinc/07/94/70/777079470.db2.gz GRJQPUXKRGVEIP-IRXDYDNUSA-N 0 3 288.435 2.655 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNC[C@H](F)CC)C1CC1 ZINC001269098788 777101500 /nfs/dbraw/zinc/10/15/00/777101500.db2.gz ATQBVCFEORDNIF-ZIAGYGMSSA-N 0 3 284.419 2.821 20 30 CFEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cncs2)C1 ZINC001269108471 777102803 /nfs/dbraw/zinc/10/28/03/777102803.db2.gz YXERKKWZPWZHNX-CYBMUJFWSA-N 0 3 293.436 2.694 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1occc1C ZINC001269195170 777135530 /nfs/dbraw/zinc/13/55/30/777135530.db2.gz MMGJOJSYPRNQSW-KGLIPLIRSA-N 0 3 276.380 2.747 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)CCCc2cccs2)C1 ZINC001269193965 777135888 /nfs/dbraw/zinc/13/58/88/777135888.db2.gz YPVMIMCGLHJDDB-CQSZACIVSA-N 0 3 292.448 2.837 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001269215050 777141247 /nfs/dbraw/zinc/14/12/47/777141247.db2.gz NABKLKNTJIFUBV-ZBFHGGJFSA-N 0 3 287.407 2.549 20 30 CFEDHN C#CCCCC(=O)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001269224289 777143031 /nfs/dbraw/zinc/14/30/31/777143031.db2.gz UPWJNRCFLYWBTK-SFHVURJKSA-N 0 3 298.430 2.613 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001269239624 777146751 /nfs/dbraw/zinc/14/67/51/777146751.db2.gz CJUZFBNIIWIZCA-GFCCVEGCSA-N 0 3 287.363 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001269251827 777151412 /nfs/dbraw/zinc/15/14/12/777151412.db2.gz SLEHGMNQGCGSRJ-GOEBONIOSA-N 0 3 278.440 2.615 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCOCC ZINC001231188355 777170229 /nfs/dbraw/zinc/17/02/29/777170229.db2.gz BSVUAGJNLWXWCA-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC(C)(C)CC)C1 ZINC001269333993 777172950 /nfs/dbraw/zinc/17/29/50/777172950.db2.gz ZVDBCHQVQFZFNO-HNNXBMFYSA-N 0 3 278.440 2.759 20 30 CFEDHN C=C[C@@H](C(=O)NC[C@@H]1CCN1CCC)c1ccccc1 ZINC001269351794 777175549 /nfs/dbraw/zinc/17/55/49/777175549.db2.gz REJIKHGONSGSTC-JKSUJKDBSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCC(=O)NC[C@H](CC)NCc1cccc(Cl)n1 ZINC001269378188 777181856 /nfs/dbraw/zinc/18/18/56/777181856.db2.gz NWDBTWJANRRUEM-LBPRGKRZSA-N 0 3 295.814 2.686 20 30 CFEDHN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCC1=CCCCC1 ZINC001231292699 777185937 /nfs/dbraw/zinc/18/59/37/777185937.db2.gz FFLPIZXXJWFOGU-GDBMZVCRSA-N 0 3 289.423 2.569 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001231376358 777205312 /nfs/dbraw/zinc/20/53/12/777205312.db2.gz CNJFDSQWDUCGNP-MRXNPFEDSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001269691619 777231428 /nfs/dbraw/zinc/23/14/28/777231428.db2.gz FAGVMUFXRUKARG-GOSISDBHSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H](F)CC)C1 ZINC001269754808 777242787 /nfs/dbraw/zinc/24/27/87/777242787.db2.gz GZLCXULGEAONBQ-QWHCGFSZSA-N 0 3 290.810 2.705 20 30 CFEDHN CC#CCNCc1ccc(CNC(=O)c2ccsc2)cc1 ZINC001270048658 777295150 /nfs/dbraw/zinc/29/51/50/777295150.db2.gz ULKDXVFBDSFLKW-UHFFFAOYSA-N 0 3 298.411 2.791 20 30 CFEDHN C#Cc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1 ZINC001231659914 777297487 /nfs/dbraw/zinc/29/74/87/777297487.db2.gz WWGYTEUGSSNQNJ-UHFFFAOYSA-N 0 3 296.414 2.502 20 30 CFEDHN C#Cc1cccc(CN2CCN(CCCC)CC2)c1 ZINC001231659886 777297861 /nfs/dbraw/zinc/29/78/61/777297861.db2.gz VZENLNSABORFJV-UHFFFAOYSA-N 0 3 256.393 2.586 20 30 CFEDHN C#Cc1cccc(CN2CCC(N(C(C)=O)C(C)C)CC2)c1 ZINC001231660612 777298680 /nfs/dbraw/zinc/29/86/80/777298680.db2.gz ISULIVRGHLBNEA-UHFFFAOYSA-N 0 3 298.430 2.889 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038412109 777299782 /nfs/dbraw/zinc/29/97/82/777299782.db2.gz RRGWSOWNJFMPLL-WMZOPIPTSA-N 0 3 298.430 2.873 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@H](Oc3ncccn3)C2)c1 ZINC001231663452 777300196 /nfs/dbraw/zinc/30/01/96/777300196.db2.gz MIHILVWUJVWAQN-KRWDZBQOSA-N 0 3 293.370 2.501 20 30 CFEDHN C=CCC[NH2+][C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001277555210 777314245 /nfs/dbraw/zinc/31/42/45/777314245.db2.gz LTFRQYNMLIFCNH-OAHLLOKOSA-N 0 3 290.407 2.702 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001028942055 777331900 /nfs/dbraw/zinc/33/19/00/777331900.db2.gz UTOGBUFADHZQLW-BRWVUGGUSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)CCC2CCC2)CC1 ZINC001270220098 777333227 /nfs/dbraw/zinc/33/32/27/777333227.db2.gz HBUFGKHMYDZGNM-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN COc1cc(N(C)C)ccc1CN1CCC[C@@H](C#N)CC1 ZINC001231853063 777352404 /nfs/dbraw/zinc/35/24/04/777352404.db2.gz DPYZEEGEHUOEFG-CQSZACIVSA-N 0 3 287.407 2.887 20 30 CFEDHN C=CCN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC001231883098 777365478 /nfs/dbraw/zinc/36/54/78/777365478.db2.gz YBJCFBAMTUHBCW-UHFFFAOYSA-N 0 3 282.387 2.849 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009951 777377147 /nfs/dbraw/zinc/37/71/47/777377147.db2.gz WSKSEQTWOZCZEN-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001232014083 777412148 /nfs/dbraw/zinc/41/21/48/777412148.db2.gz JRMRWNHUSFRWMX-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2C)[C@H]1CC ZINC001087490827 777500251 /nfs/dbraw/zinc/50/02/51/777500251.db2.gz QXBDAYOAJRRLIB-JKSUJKDBSA-N 0 3 272.392 2.764 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(OCC)nc2C)C1 ZINC001232311587 777517121 /nfs/dbraw/zinc/51/71/21/777517121.db2.gz WCDVDPWGHZPUSU-CQSZACIVSA-N 0 3 258.365 2.634 20 30 CFEDHN CN(CCc1ccc(F)cc1)Cc1cc(C#N)ccn1 ZINC001232479289 777574990 /nfs/dbraw/zinc/57/49/90/777574990.db2.gz PINWKHBNJUWHEC-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN CC#CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001270941549 777610007 /nfs/dbraw/zinc/61/00/07/777610007.db2.gz VJPHGZQSMBGLEV-KRWDZBQOSA-N 0 3 278.440 2.664 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc(Br)c(C#N)c2)C1 ZINC001226730051 777627117 /nfs/dbraw/zinc/62/71/17/777627117.db2.gz VPCKQPUKDKYDDE-GFCCVEGCSA-N 0 3 295.180 2.794 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)CC[C@@]1(C)O ZINC001232842176 777684620 /nfs/dbraw/zinc/68/46/20/777684620.db2.gz NERWCBSQPHESKR-BXUZGUMPSA-N 0 3 264.394 2.603 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1CC ZINC001087713722 777685906 /nfs/dbraw/zinc/68/59/06/777685906.db2.gz FCUDIDZSXGWTNI-QWHCGFSZSA-N 0 3 294.782 2.539 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1CC ZINC001087733747 777689531 /nfs/dbraw/zinc/68/95/31/777689531.db2.gz SCDABQMCXIKCMR-JKSUJKDBSA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@H]1CC ZINC001087753829 777694267 /nfs/dbraw/zinc/69/42/67/777694267.db2.gz ZRCAFFNGBBZTNO-SOUVJXGZSA-N 0 3 290.407 2.847 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1CC ZINC001087756761 777694505 /nfs/dbraw/zinc/69/45/05/777694505.db2.gz JIDFGLKDBYOITC-XUWVNRHRSA-N 0 3 276.424 2.578 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232866125 777698061 /nfs/dbraw/zinc/69/80/61/777698061.db2.gz QLPIUEVGTPXUQU-LBPRGKRZSA-N 0 3 269.348 2.999 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@@H](C)F ZINC001029421836 777702204 /nfs/dbraw/zinc/70/22/04/777702204.db2.gz LRHICBCNMBRRDR-MCIONIFRSA-N 0 3 282.403 2.622 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001232926402 777722288 /nfs/dbraw/zinc/72/22/88/777722288.db2.gz NLGDDVAIQVIQBS-ZIAGYGMSSA-N 0 3 255.365 2.965 20 30 CFEDHN CC[C@@H](C)N(C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233099135 777795109 /nfs/dbraw/zinc/79/51/09/777795109.db2.gz PQQTZEZSCZQTJD-LLVKDONJSA-N 0 3 263.360 2.994 20 30 CFEDHN N#CCC1CCN(Cc2n[nH]c3cc(F)ccc32)CC1 ZINC001233122550 777801658 /nfs/dbraw/zinc/80/16/58/777801658.db2.gz ADWYODLUTJFHRI-UHFFFAOYSA-N 0 3 272.327 2.828 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1 ZINC001075841785 777853134 /nfs/dbraw/zinc/85/31/34/777853134.db2.gz GWWZXDPCXYMVQE-FUHWJXTLSA-N 0 3 298.430 2.565 20 30 CFEDHN COCCN1CCC(Oc2cccc(Cl)c2C#N)CC1 ZINC001227789928 777904458 /nfs/dbraw/zinc/90/44/58/777904458.db2.gz SBTXKORXANVUOU-UHFFFAOYSA-N 0 3 294.782 2.701 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CCC2)C1 ZINC001088244688 777916103 /nfs/dbraw/zinc/91/61/03/777916103.db2.gz BOPSLYDAXMXIFL-CQSZACIVSA-N 0 3 284.831 2.900 20 30 CFEDHN Nc1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001233374872 777919186 /nfs/dbraw/zinc/91/91/86/777919186.db2.gz UAKITHKYNPRMJO-CYBMUJFWSA-N 0 3 294.807 2.696 20 30 CFEDHN Nc1ccc(CN2CCC3SC(=O)C=C3C2)c(Cl)c1 ZINC001233374873 777919797 /nfs/dbraw/zinc/91/97/97/777919797.db2.gz UAKITHKYNPRMJO-ZDUSSCGKSA-N 0 3 294.807 2.696 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CCC)C1 ZINC001088249898 777919993 /nfs/dbraw/zinc/91/99/93/777919993.db2.gz DUZDJCKSYZECCU-ZDUSSCGKSA-N 0 3 272.820 2.900 20 30 CFEDHN CCN1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233512845 777975288 /nfs/dbraw/zinc/97/52/88/777975288.db2.gz XOLNBAPXUKQKTB-GFCCVEGCSA-N 0 3 299.296 2.835 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1C ZINC001233511366 777975612 /nfs/dbraw/zinc/97/56/12/777975612.db2.gz MLAOFPPTLZAGNH-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233537696 777982795 /nfs/dbraw/zinc/98/27/95/777982795.db2.gz DNZOXLFENUBQCH-DZGCQCFKSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088374412 778036583 /nfs/dbraw/zinc/03/65/83/778036583.db2.gz GQYQSKOZCKYPAK-ZBFHGGJFSA-N 0 3 284.419 2.919 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233694313 778042294 /nfs/dbraw/zinc/04/22/94/778042294.db2.gz NDJLJCWNADUOHU-CVEARBPZSA-N 0 3 289.423 2.548 20 30 CFEDHN CN1CCC(Oc2c(Br)cccc2C#N)CC1 ZINC001233704178 778048772 /nfs/dbraw/zinc/04/87/72/778048772.db2.gz RWNQOLGTGYPZKT-UHFFFAOYSA-N 0 3 295.180 2.794 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233728399 778055977 /nfs/dbraw/zinc/05/59/77/778055977.db2.gz BOMAHJGNYADOSA-KGLIPLIRSA-N 0 3 284.469 2.627 20 30 CFEDHN CN1CC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732899 778057188 /nfs/dbraw/zinc/05/71/88/778057188.db2.gz UOSIOSDXKHGKPM-NSHDSACASA-N 0 3 270.254 2.660 20 30 CFEDHN C=CCCCCN(C)Cc1ccc2c(n1)OCCO2 ZINC001233895277 778108091 /nfs/dbraw/zinc/10/80/91/778108091.db2.gz UNUOUWMSCJHUQR-UHFFFAOYSA-N 0 3 262.353 2.641 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CCCCCC ZINC001233946372 778119258 /nfs/dbraw/zinc/11/92/58/778119258.db2.gz AEEGFAMHHHGHJJ-MRXNPFEDSA-N 0 3 278.440 2.903 20 30 CFEDHN C[NH+](C)C1CCC(Oc2cc([O-])cc(C#N)c2)CC1 ZINC001234143285 778174724 /nfs/dbraw/zinc/17/47/24/778174724.db2.gz CNAICILFKRXMAH-UHFFFAOYSA-N 0 3 260.337 2.515 20 30 CFEDHN CC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1[O-] ZINC000925262369 778177986 /nfs/dbraw/zinc/17/79/86/778177986.db2.gz CCTRYNSYKAETDR-DZGCQCFKSA-N 0 3 296.374 2.585 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CCC ZINC001234509539 778239648 /nfs/dbraw/zinc/23/96/48/778239648.db2.gz MVGFGEJPGWCVAY-GFCCVEGCSA-N 0 3 272.820 2.708 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CC1CC1 ZINC001234516714 778241288 /nfs/dbraw/zinc/24/12/88/778241288.db2.gz GAEGTDNRKXYPAY-INIZCTEOSA-N 0 3 276.424 2.698 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NCC1(C#N)CCCC1)C2 ZINC001168228690 778258952 /nfs/dbraw/zinc/25/89/52/778258952.db2.gz IEQMIIDNRYMSKF-HNNXBMFYSA-N 0 3 270.376 2.836 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C ZINC001088578992 778301422 /nfs/dbraw/zinc/30/14/22/778301422.db2.gz HWQRQNNOIQUJHO-QXSJWSMHSA-N 0 3 290.451 2.661 20 30 CFEDHN CN1CCC(Oc2cnc3ccccc3c2C#N)CC1 ZINC001234859549 778312661 /nfs/dbraw/zinc/31/26/61/778312661.db2.gz UQWZOIDCIFKXFU-UHFFFAOYSA-N 0 3 267.332 2.579 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001212024122 778328442 /nfs/dbraw/zinc/32/84/42/778328442.db2.gz KEOWQHKQOVQUQJ-HZPDHXFCSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)CC(=C)C ZINC001272117198 778358020 /nfs/dbraw/zinc/35/80/20/778358020.db2.gz CPILEBUKKGIQOW-UHFFFAOYSA-N 0 3 252.402 2.555 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001272125509 778359826 /nfs/dbraw/zinc/35/98/26/778359826.db2.gz HHLOEEXBCUCGOO-UHFFFAOYSA-N 0 3 278.440 2.779 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001272145507 778362969 /nfs/dbraw/zinc/36/29/69/778362969.db2.gz NJASVZWONPHLFG-HZPDHXFCSA-N 0 3 278.440 2.616 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C1(c2cccc(C)c2)CC1 ZINC001272178621 778367407 /nfs/dbraw/zinc/36/74/07/778367407.db2.gz NDIQAIWHBOTASQ-UHFFFAOYSA-N 0 3 286.419 2.603 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001272178136 778367426 /nfs/dbraw/zinc/36/74/26/778367426.db2.gz DOTNYDULPIKBGN-GPANFISMSA-N 0 3 278.440 2.779 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccccc3CC)[C@@H]2C1 ZINC001075937510 778378198 /nfs/dbraw/zinc/37/81/98/778378198.db2.gz RXSJBFZTFLFHJX-ZWKOTPCHSA-N 0 3 298.430 2.510 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC001088675130 778382673 /nfs/dbraw/zinc/38/26/73/778382673.db2.gz DJAPJVRKYGDTHF-YPMHNXCESA-N 0 3 286.366 2.577 20 30 CFEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127987203 778467984 /nfs/dbraw/zinc/46/79/84/778467984.db2.gz ZSYVNRWGISSHPW-CYBMUJFWSA-N 0 3 268.272 2.549 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801450 778501345 /nfs/dbraw/zinc/50/13/45/778501345.db2.gz CIPJLYPKRFVRQS-KFWWJZLASA-N 0 3 278.440 2.968 20 30 CFEDHN CC(=O)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235522422 778510453 /nfs/dbraw/zinc/51/04/53/778510453.db2.gz FUZPBTSLRLQLLS-UHFFFAOYSA-N 0 3 256.349 2.554 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC001235527714 778512911 /nfs/dbraw/zinc/51/29/11/778512911.db2.gz LAKJGGHQMZBBHJ-GOSISDBHSA-N 0 3 293.370 2.801 20 30 CFEDHN Cc1ncn(C)c1CN1CCC(C#Cc2ccccc2)CC1 ZINC001235556241 778517994 /nfs/dbraw/zinc/51/79/94/778517994.db2.gz PVTVVYDFHBNISS-UHFFFAOYSA-N 0 3 293.414 2.992 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC001088826684 778546185 /nfs/dbraw/zinc/54/61/85/778546185.db2.gz CEJSBGKKTWHHHA-QAPCUYQASA-N 0 3 298.430 2.855 20 30 CFEDHN C#CCN1CCC[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001040342809 778555267 /nfs/dbraw/zinc/55/52/67/778555267.db2.gz CNPZEXNZISWRIQ-KRWDZBQOSA-N 0 3 288.435 2.514 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)[C@@H]2C1 ZINC001076081240 778564841 /nfs/dbraw/zinc/56/48/41/778564841.db2.gz DZZXHACBBPMHEI-SMLCLMEVSA-N 0 3 288.435 2.531 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076220617 778577468 /nfs/dbraw/zinc/57/74/68/778577468.db2.gz KHXRWLQGFHEOJB-HRCADAONSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001076532935 778594314 /nfs/dbraw/zinc/59/43/14/778594314.db2.gz IXVQFZCZTRSHCJ-BPQIPLTHSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC4CCC3CC4)[C@@H]2C1 ZINC001076614177 778598751 /nfs/dbraw/zinc/59/87/51/778598751.db2.gz DPOXVJAMFZPMTH-IRKLFDGPSA-N 0 3 288.435 2.531 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1csc(C)c1 ZINC001168386108 778762937 /nfs/dbraw/zinc/76/29/37/778762937.db2.gz SVWMZGGJZALLJO-UHFFFAOYSA-N 0 3 272.801 2.519 20 30 CFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1C ZINC000129874171 778870990 /nfs/dbraw/zinc/87/09/90/778870990.db2.gz LRCZXZQWPMWQBN-GFCCVEGCSA-N 0 3 298.298 2.558 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C\C1CC1 ZINC001099008055 778900814 /nfs/dbraw/zinc/90/08/14/778900814.db2.gz LFSXOWYKJHOKEW-LZNQSLFOSA-N 0 3 276.424 2.745 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@H]1O ZINC001232112567 778900894 /nfs/dbraw/zinc/90/08/94/778900894.db2.gz XVWUHZGZDMPEGU-XHDPSFHLSA-N 0 3 278.783 2.804 20 30 CFEDHN CC#CCN(C)CCCN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001280883177 778920602 /nfs/dbraw/zinc/92/06/02/778920602.db2.gz GAOPEFZOKWSMQJ-UHFFFAOYSA-N 0 3 298.430 2.981 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)[C@H]1C ZINC001088883048 778933678 /nfs/dbraw/zinc/93/36/78/778933678.db2.gz VQIZJSORVRJQRV-JLSDUUJJSA-N 0 3 298.430 2.557 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1C ZINC001088885587 778935159 /nfs/dbraw/zinc/93/51/59/778935159.db2.gz FFKWUAJKNDBTJU-UXLLHSPISA-N 0 3 286.419 2.864 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1C ZINC001088898048 778940898 /nfs/dbraw/zinc/94/08/98/778940898.db2.gz LLWUJDNOXLXNPS-OLZOCXBDSA-N 0 3 291.395 2.567 20 30 CFEDHN C=CCO[C@@H]1CCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001168422789 778966076 /nfs/dbraw/zinc/96/60/76/778966076.db2.gz AXMQFJQSJGFDEB-CQSZACIVSA-N 0 3 284.359 2.717 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)[C@H]1C ZINC001089048170 778981347 /nfs/dbraw/zinc/98/13/47/778981347.db2.gz VLPGSIPRSHYERZ-YPMHNXCESA-N 0 3 293.436 2.529 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089067680 778985026 /nfs/dbraw/zinc/98/50/26/778985026.db2.gz RMJRXASBCWHGAP-KFWWJZLASA-N 0 3 278.440 2.968 20 30 CFEDHN C#CCN1CCN(Cc2ccc3cccccc2-3)CC1 ZINC001237193732 779047172 /nfs/dbraw/zinc/04/71/72/779047172.db2.gz RWHIWOFXBVYVJI-UHFFFAOYSA-N 0 3 264.372 2.542 20 30 CFEDHN CCc1cccc(C)c1CN1CCN(CCC#N)CC1 ZINC001237326828 779077420 /nfs/dbraw/zinc/07/74/20/779077420.db2.gz KFZBHQKVYQFYMU-UHFFFAOYSA-N 0 3 271.408 2.589 20 30 CFEDHN C=CCN(CC=C)Cc1[nH]nc2cc(OC)ccc21 ZINC001237388689 779092698 /nfs/dbraw/zinc/09/26/98/779092698.db2.gz FZWCSDGXMXXVPV-UHFFFAOYSA-N 0 3 257.337 2.746 20 30 CFEDHN CCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272467584 779113878 /nfs/dbraw/zinc/11/38/78/779113878.db2.gz SPEZPNVICBQFQM-INIZCTEOSA-N 0 3 277.412 2.547 20 30 CFEDHN Cn1cc(CN2CCC(F)CC2)c2cc(C#N)ccc21 ZINC001237464072 779113838 /nfs/dbraw/zinc/11/38/38/779113838.db2.gz CBSAZZOFBOBFHN-UHFFFAOYSA-N 0 3 271.339 2.984 20 30 CFEDHN CCCCCCN1CCN(Cc2ccnc(C#N)c2)CC1 ZINC001237470091 779115934 /nfs/dbraw/zinc/11/59/34/779115934.db2.gz MPWFCTBCKPTRLC-UHFFFAOYSA-N 0 3 286.423 2.651 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C)Cc1cccs1 ZINC001121889967 779123961 /nfs/dbraw/zinc/12/39/61/779123961.db2.gz XVSBMIYBGOMWLB-OCCSQVGLSA-N 0 3 280.437 2.727 20 30 CFEDHN C#C[C@H](Oc1c(F)cc(CN(C)C)cc1OC)C(C)C ZINC001234240817 779171853 /nfs/dbraw/zinc/17/18/53/779171853.db2.gz LRCDXIUCSGEMLV-AWEZNQCLSA-N 0 3 279.355 2.933 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)C1 ZINC001122075622 779176389 /nfs/dbraw/zinc/17/63/89/779176389.db2.gz NYPCOJYHIKSSGZ-HUUCEWRRSA-N 0 3 264.413 2.709 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089303822 779178744 /nfs/dbraw/zinc/17/87/44/779178744.db2.gz UCLOOHYQRPEWEO-AWEZNQCLSA-N 0 3 288.391 2.523 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC000993040059 779227550 /nfs/dbraw/zinc/22/75/50/779227550.db2.gz ZGYFNTZUZUDXBZ-CABCVRRESA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001046646344 779256572 /nfs/dbraw/zinc/25/65/72/779256572.db2.gz BUVJXVZBQDOPFR-QGZVFWFLSA-N 0 3 290.382 2.904 20 30 CFEDHN COC(=O)CCN(Cc1ccc(Cl)c(C#N)c1)C1CC1 ZINC001238197940 779278724 /nfs/dbraw/zinc/27/87/24/779278724.db2.gz CSYNSRDCXSUIFT-UHFFFAOYSA-N 0 3 292.766 2.739 20 30 CFEDHN CC(C)Oc1cncc(C(=O)C(C#N)c2cccc(F)n2)c1 ZINC001122717926 779288055 /nfs/dbraw/zinc/28/80/55/779288055.db2.gz PXNTZJSKIXTOOV-ZDUSSCGKSA-N 0 3 299.305 2.893 20 30 CFEDHN COc1cc(CN2CC[C@]3(C2)CCCCO3)ccc1C#N ZINC001238409496 779307915 /nfs/dbraw/zinc/30/79/15/779307915.db2.gz GVSSGYXFTXUSEI-KRWDZBQOSA-N 0 3 286.375 2.712 20 30 CFEDHN CCn1ccnc1C(C#N)C(=O)CCc1ccccc1 ZINC001123234605 779363366 /nfs/dbraw/zinc/36/33/66/779363366.db2.gz YGNICQTTXWEKBN-AWEZNQCLSA-N 0 3 267.332 2.712 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235780085 779377304 /nfs/dbraw/zinc/37/73/04/779377304.db2.gz SAYLTMLMEAWVOV-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN CCc1cc(CN2CCC3(CCC(=O)O3)CC2)ccc1C#N ZINC001238778166 779391415 /nfs/dbraw/zinc/39/14/15/779391415.db2.gz KQSOCBRZBNSICZ-UHFFFAOYSA-N 0 3 298.386 2.792 20 30 CFEDHN C=CCCN1CCC(F)(F)[C@H](CNC(=O)c2ccco2)C1 ZINC001046901256 779402007 /nfs/dbraw/zinc/40/20/07/779402007.db2.gz DENSJDLKMDBTFA-GFCCVEGCSA-N 0 3 298.333 2.543 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C ZINC001099321320 779456175 /nfs/dbraw/zinc/45/61/75/779456175.db2.gz UNCFLFPPYREAER-ZDUSSCGKSA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccccc1Cl ZINC000130608030 779476281 /nfs/dbraw/zinc/47/62/81/779476281.db2.gz KKDBDWBHTGJCOZ-LBPRGKRZSA-N 0 3 292.766 2.506 20 30 CFEDHN CCCC[C@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN1 ZINC001239293222 779504787 /nfs/dbraw/zinc/50/47/87/779504787.db2.gz ZKUROQFMBCYYQO-HNNXBMFYSA-N 0 3 286.379 2.554 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2)CC(C)(C)C1 ZINC001089548993 779507404 /nfs/dbraw/zinc/50/74/04/779507404.db2.gz RWXVXDLINNAOAI-QGZVFWFLSA-N 0 3 298.430 2.849 20 30 CFEDHN CCCCCCCCNC(=S)N[C@H]1CCNC[C@H]1F ZINC001239355262 779533555 /nfs/dbraw/zinc/53/35/55/779533555.db2.gz GAHPXTINCYLYLV-OLZOCXBDSA-N 0 3 289.464 2.511 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1 ZINC001272700735 779660827 /nfs/dbraw/zinc/66/08/27/779660827.db2.gz MQACPEMJOSGYKT-WMLDXEAASA-N 0 3 296.414 2.777 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001031950606 779681407 /nfs/dbraw/zinc/68/14/07/779681407.db2.gz PCKOBGSEOROADI-UHFFFAOYSA-N 0 3 294.345 2.511 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCC1 ZINC001032270974 779802578 /nfs/dbraw/zinc/80/25/78/779802578.db2.gz ASMLTYNGIKQGKC-JYJNAYRXSA-N 0 3 274.408 2.594 20 30 CFEDHN C=CCCC(=O)N[C@]12CCC[C@H]1CN(C[C@H](F)CC)C2 ZINC001111650165 779849928 /nfs/dbraw/zinc/84/99/28/779849928.db2.gz HZOKOYUVFSHMNK-LZWOXQAQSA-N 0 3 282.403 2.671 20 30 CFEDHN N#Cc1c(F)cc(-c2ccc3c(c2)COC32CNC2)cc1F ZINC001239931819 779868291 /nfs/dbraw/zinc/86/82/91/779868291.db2.gz VOEYCJNRNBGJCB-UHFFFAOYSA-N 0 3 298.292 2.832 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107702068 779883664 /nfs/dbraw/zinc/88/36/64/779883664.db2.gz ITRJLHOOYXTZMZ-RDJZCZTQSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709644 779884994 /nfs/dbraw/zinc/88/49/94/779884994.db2.gz GSPARIZDQMWZIX-NVXWUHKLSA-N 0 3 294.439 2.514 20 30 CFEDHN C=CCCC(=O)NC[C@]1(C)CN([C@H](C)CCC=C)CCO1 ZINC001107802531 779901420 /nfs/dbraw/zinc/90/14/20/779901420.db2.gz TVXZWTDBAFFVML-NVXWUHKLSA-N 0 3 294.439 2.514 20 30 CFEDHN N#Cc1ccc(-c2cnccc2N2CCOCC2)cc1F ZINC001240155070 779977360 /nfs/dbraw/zinc/97/73/60/779977360.db2.gz RMTIDNMQLOZVGU-UHFFFAOYSA-N 0 3 283.306 2.596 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)n1 ZINC001032522264 780010231 /nfs/dbraw/zinc/01/02/31/780010231.db2.gz WPCZQRJXYKNOPG-HOTGVXAUSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)CC1 ZINC001032607333 780070011 /nfs/dbraw/zinc/07/00/11/780070011.db2.gz OAXPDSVVLGVEGS-CKUJCDMFSA-N 0 3 294.414 2.766 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032612930 780072556 /nfs/dbraw/zinc/07/25/56/780072556.db2.gz HIQJHWOQROKYRR-ILXRZTDVSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001032612959 780072581 /nfs/dbraw/zinc/07/25/81/780072581.db2.gz IIPMPZSWBLLERZ-FXUDXRNXSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)(F)CC1 ZINC001032649500 780114560 /nfs/dbraw/zinc/11/45/60/780114560.db2.gz NGWIVLONVJIHHQ-KBPBESRZSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCCC2 ZINC001032715610 780138655 /nfs/dbraw/zinc/13/86/55/780138655.db2.gz DMJYSGBQIFLQPT-JYJNAYRXSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC001116620711 780201278 /nfs/dbraw/zinc/20/12/78/780201278.db2.gz MGOXCIMBTUBDQH-ZFWWWQNUSA-N 0 3 271.364 2.724 20 30 CFEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccs2)C1=O ZINC001272931667 780298005 /nfs/dbraw/zinc/29/80/05/780298005.db2.gz FZETVOKVJLKMHU-HNNXBMFYSA-N 0 3 276.405 2.501 20 30 CFEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932417 780301853 /nfs/dbraw/zinc/30/18/53/780301853.db2.gz LWBJDVADLPSOSH-INIZCTEOSA-N 0 3 290.432 2.891 20 30 CFEDHN C=C(C)CCC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001128418482 780434974 /nfs/dbraw/zinc/43/49/74/780434974.db2.gz NZWWMMPZWSIHPS-CYBMUJFWSA-N 0 3 278.371 2.949 20 30 CFEDHN C#CCNC1(CNC(=O)C2(C)CCCCCC2)CCC1 ZINC001280485582 780549249 /nfs/dbraw/zinc/54/92/49/780549249.db2.gz QHJDIOGCNQJCJU-UHFFFAOYSA-N 0 3 276.424 2.609 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001033234063 780626167 /nfs/dbraw/zinc/62/61/67/780626167.db2.gz YXXFYRNTTCMPID-CQSZACIVSA-N 0 3 299.374 2.550 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC001033238369 780627533 /nfs/dbraw/zinc/62/75/33/780627533.db2.gz VOSNENQJOWSZPJ-CQSZACIVSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001033369838 780667766 /nfs/dbraw/zinc/66/77/66/780667766.db2.gz OATBIJTWNOAQIL-STQMWFEESA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033403623 780678785 /nfs/dbraw/zinc/67/87/85/780678785.db2.gz WFONXCGLODWNCA-RBSFLKMASA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033441273 780682130 /nfs/dbraw/zinc/68/21/30/780682130.db2.gz WRECKBBXXAMZKI-CQSZACIVSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033519832 780702416 /nfs/dbraw/zinc/70/24/16/780702416.db2.gz WYSFIVIGYDMYID-DLBZAZTESA-N 0 3 298.430 2.825 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001033556427 780713755 /nfs/dbraw/zinc/71/37/55/780713755.db2.gz CMRAJAWHSCRJJK-CYBMUJFWSA-N 0 3 291.395 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033674560 780747458 /nfs/dbraw/zinc/74/74/58/780747458.db2.gz AGFZSATUFKSJRP-UPTPFMHGSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033697931 780752719 /nfs/dbraw/zinc/75/27/19/780752719.db2.gz KPFBSSNVXHCGOZ-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033697929 780753144 /nfs/dbraw/zinc/75/31/44/780753144.db2.gz KPFBSSNVXHCGOZ-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033719549 780763694 /nfs/dbraw/zinc/76/36/94/780763694.db2.gz SSYPOJARAUDVSJ-MRXNPFEDSA-N 0 3 290.382 2.938 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033733656 780766879 /nfs/dbraw/zinc/76/68/79/780766879.db2.gz FTGPDEXLDVSHDO-INIZCTEOSA-N 0 3 284.403 2.555 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033732530 780768237 /nfs/dbraw/zinc/76/82/37/780768237.db2.gz KOSZRUOEJONBPK-CQSZACIVSA-N 0 3 290.382 2.938 20 30 CFEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cccs2)C1 ZINC001033735820 780769641 /nfs/dbraw/zinc/76/96/41/780769641.db2.gz UGDAMILNOJWTRV-CYBMUJFWSA-N 0 3 278.421 2.861 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001033764097 780777215 /nfs/dbraw/zinc/77/72/15/780777215.db2.gz XJBBHAUMYHSPHU-CYBMUJFWSA-N 0 3 293.436 2.646 20 30 CFEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033773582 780780323 /nfs/dbraw/zinc/78/03/23/780780323.db2.gz NLPXFTZMPLIYEI-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033926469 780824468 /nfs/dbraw/zinc/82/44/68/780824468.db2.gz CUUUTYIXOMCEFA-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033945875 780841382 /nfs/dbraw/zinc/84/13/82/780841382.db2.gz QEVNDKBEUHZULO-KRWDZBQOSA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033971693 780843809 /nfs/dbraw/zinc/84/38/09/780843809.db2.gz KFWKMMRDJZZMHR-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034071707 780878798 /nfs/dbraw/zinc/87/87/98/780878798.db2.gz KORRCDIQAVTXQC-MRXNPFEDSA-N 0 3 290.382 2.986 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001034079624 780880769 /nfs/dbraw/zinc/88/07/69/780880769.db2.gz YFJWGEIRVAMGCV-CQSZACIVSA-N 0 3 290.432 2.664 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2occc2C)C1 ZINC001034102669 780887406 /nfs/dbraw/zinc/88/74/06/780887406.db2.gz XUYMEEAUJJAQMJ-AWEZNQCLSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034145991 780905989 /nfs/dbraw/zinc/90/59/89/780905989.db2.gz IFJNHDRMNRRWIB-MWDXBVQZSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034320844 780946404 /nfs/dbraw/zinc/94/64/04/780946404.db2.gz BGFQQHPRBRXUJY-WCXIOVBPSA-N 0 3 290.451 2.969 20 30 CFEDHN N#Cc1cc(C2=CCN(Cc3ccccc3)CC2)ncn1 ZINC001241502450 780946677 /nfs/dbraw/zinc/94/66/77/780946677.db2.gz XSXTZCZTHJEGRN-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN Cc1cc(C#N)nc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241502041 780947118 /nfs/dbraw/zinc/94/71/18/780947118.db2.gz MYONGRHLVVVNIF-UHFFFAOYSA-N 0 3 290.370 2.946 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034395482 780964583 /nfs/dbraw/zinc/96/45/83/780964583.db2.gz XAJQFYCNGLSRMM-CABCVRRESA-N 0 3 290.407 2.930 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034397141 780967101 /nfs/dbraw/zinc/96/71/01/780967101.db2.gz GKGKQVHGJBTABA-ZIAGYGMSSA-N 0 3 276.380 2.540 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001034418384 780972209 /nfs/dbraw/zinc/97/22/09/780972209.db2.gz FQEHZLIWQFHCOE-MRXNPFEDSA-N 0 3 297.402 2.938 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001045538761 781030923 /nfs/dbraw/zinc/03/09/23/781030923.db2.gz JOLOFMDSHFVFTR-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](CCC)OCC ZINC000705328887 781139132 /nfs/dbraw/zinc/13/91/32/781139132.db2.gz BAIQXYWBMIIESN-MRXNPFEDSA-N 0 3 275.392 2.993 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CC(C)C1)CC2 ZINC001035678661 781155860 /nfs/dbraw/zinc/15/58/60/781155860.db2.gz OIGFXXNJXVMVMM-UHFFFAOYSA-N 0 3 276.424 2.533 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)C(C)C)CC2 ZINC001035711890 781159838 /nfs/dbraw/zinc/15/98/38/781159838.db2.gz ALRUUOYNRFMHRK-UHFFFAOYSA-N 0 3 290.451 2.616 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(F)CCCC1)CC2 ZINC001035736623 781162762 /nfs/dbraw/zinc/16/27/62/781162762.db2.gz IBRQSTNVZVPZSZ-UHFFFAOYSA-N 0 3 294.414 2.769 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)C(C)C)CC2 ZINC001035809277 781174352 /nfs/dbraw/zinc/17/43/52/781174352.db2.gz MESIXMQRIFDYDP-OAHLLOKOSA-N 0 3 278.440 2.779 20 30 CFEDHN COc1ccc(-c2cccnc2C#N)cc1CN(C)C ZINC001242312453 781390594 /nfs/dbraw/zinc/39/05/94/781390594.db2.gz KCTFCHRTKPRLKC-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079392076 781591132 /nfs/dbraw/zinc/59/11/32/781591132.db2.gz QTCRUJRGOSDSCU-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C[N@@H+]1CCc2cc(-c3ccc([O-])c(C#N)c3)ccc2C1 ZINC001242565662 781605124 /nfs/dbraw/zinc/60/51/24/781605124.db2.gz PPJWXROXHIXEIF-UHFFFAOYSA-N 0 3 264.328 2.919 20 30 CFEDHN C[N@H+]1CCc2cc(-c3ccc([O-])c(C#N)c3)ccc2C1 ZINC001242565662 781605128 /nfs/dbraw/zinc/60/51/28/781605128.db2.gz PPJWXROXHIXEIF-UHFFFAOYSA-N 0 3 264.328 2.919 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001079752250 781618222 /nfs/dbraw/zinc/61/82/22/781618222.db2.gz AUUACXXUBSEVSZ-IXDOHACOSA-N 0 3 288.435 2.583 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001163980982 781626042 /nfs/dbraw/zinc/62/60/42/781626042.db2.gz CEQMGTNVFSSXIL-WDNDVIMCSA-N 0 3 296.842 2.661 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001080053662 781632862 /nfs/dbraw/zinc/63/28/62/781632862.db2.gz FFMALNWGSFQVRB-CXAGYDPISA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001080042511 781634823 /nfs/dbraw/zinc/63/48/23/781634823.db2.gz NHGTWHWJRCKGJE-CZUORRHYSA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001080430104 781658817 /nfs/dbraw/zinc/65/88/17/781658817.db2.gz SGMVPPLPESKJMD-MGPQQGTHSA-N 0 3 292.448 2.864 20 30 CFEDHN C=Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)C[C@H]2C)cc1 ZINC001080489841 781662400 /nfs/dbraw/zinc/66/24/00/781662400.db2.gz AKWDYFCIJBAIIK-RHSMWYFYSA-N 0 3 284.403 2.956 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001080594132 781669876 /nfs/dbraw/zinc/66/98/76/781669876.db2.gz COLDCKUUXXPDNF-BZZMCLGOSA-N 0 3 298.430 2.721 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001080627695 781673386 /nfs/dbraw/zinc/67/33/86/781673386.db2.gz KGAFLMAQBKFPLE-PVXIVEMSSA-N 0 3 290.407 2.622 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001080833475 781680694 /nfs/dbraw/zinc/68/06/94/781680694.db2.gz LJSFWYXLTPACEX-GDBMZVCRSA-N 0 3 272.392 2.621 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@H]2CCCCC2(C)C)CCC1 ZINC001273207831 781748707 /nfs/dbraw/zinc/74/87/07/781748707.db2.gz FDHVGHPRXPQFBI-OAHLLOKOSA-N 0 3 290.451 2.855 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001084673847 781818813 /nfs/dbraw/zinc/81/88/13/781818813.db2.gz VQUIOLZMYFWKDC-QBPKDAKJSA-N 0 3 290.451 2.777 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758595 781829993 /nfs/dbraw/zinc/82/99/93/781829993.db2.gz UJGUZMKOSBPNLG-OWCLPIDISA-N 0 3 288.435 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001084855560 781846629 /nfs/dbraw/zinc/84/66/29/781846629.db2.gz YNIKWHXWHAOWAR-NUEKZKHPSA-N 0 3 276.424 2.531 20 30 CFEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)o1 ZINC000594508121 349434618 /nfs/dbraw/zinc/43/46/18/349434618.db2.gz AYSWSPYUTMMTAM-CABCVRRESA-N 0 3 260.337 2.589 20 30 CFEDHN CC(C)[C@H](CNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000594519324 349440147 /nfs/dbraw/zinc/44/01/47/349440147.db2.gz PRQRSPVTLCWIJP-AWEZNQCLSA-N 0 3 292.379 2.855 20 30 CFEDHN CC[C@H](Cn1cncn1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594518865 349440179 /nfs/dbraw/zinc/44/01/79/349440179.db2.gz PWPADBQVDBRQRE-MRXNPFEDSA-N 0 3 295.390 2.597 20 30 CFEDHN CCC(C)(C)N1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000594590865 349453643 /nfs/dbraw/zinc/45/36/43/349453643.db2.gz GWUVCGGQBLMWPN-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN Cc1cc(C#N)cc(N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594602613 349459034 /nfs/dbraw/zinc/45/90/34/349459034.db2.gz RENSNGYBSBCITN-CABCVRRESA-N 0 3 270.380 2.691 20 30 CFEDHN Cc1nsc(N[C@@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594603925 349459729 /nfs/dbraw/zinc/45/97/29/349459729.db2.gz WMFHNHWVGQIHIK-CHWSQXEVSA-N 0 3 276.409 2.752 20 30 CFEDHN N#CCc1cccc(NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000594609251 349461516 /nfs/dbraw/zinc/46/15/16/349461516.db2.gz HYUFXUMJAYBCLL-GOSISDBHSA-N 0 3 299.418 2.808 20 30 CFEDHN CSCC1(CCNC[C@@H](C#N)CCC#N)CC1 ZINC000594712589 349478457 /nfs/dbraw/zinc/47/84/57/349478457.db2.gz QVCPYRVEFFVQAM-GFCCVEGCSA-N 0 3 251.399 2.553 20 30 CFEDHN C[C@@H](Cn1ccnc1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594914825 349504383 /nfs/dbraw/zinc/50/43/83/349504383.db2.gz MAULTDZHOUAMRM-AWEZNQCLSA-N 0 3 280.375 2.617 20 30 CFEDHN CN(C)CCN(c1ncc(C#N)cc1Cl)C1CCCC1 ZINC000339967498 282097728 /nfs/dbraw/zinc/09/77/28/282097728.db2.gz IHCPQQNFWXDMEV-UHFFFAOYSA-N 0 3 292.814 2.917 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000407993080 260156232 /nfs/dbraw/zinc/15/62/32/260156232.db2.gz KQCSBQWRSWGLPW-BFHYXJOUSA-N 0 3 278.396 2.732 20 30 CFEDHN CC[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CO1 ZINC000594936596 349518523 /nfs/dbraw/zinc/51/85/23/349518523.db2.gz FKVDCIXUKUYKEQ-SQWLQELKSA-N 0 3 256.349 2.703 20 30 CFEDHN COCC1(NCc2ccc(C#N)cc2F)CCCC1 ZINC000594951977 349526418 /nfs/dbraw/zinc/52/64/18/349526418.db2.gz ONZMRJPNOGEQAJ-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN COCc1csc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000594948283 349524290 /nfs/dbraw/zinc/52/42/90/349524290.db2.gz YPOOGHJVWHAOQW-CMPLNLGQSA-N 0 3 250.367 2.676 20 30 CFEDHN CC(C)(C)N1CC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000594957212 349529429 /nfs/dbraw/zinc/52/94/29/349529429.db2.gz PZSDVZFPINOIKJ-GFCCVEGCSA-N 0 3 263.410 2.582 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127793530 187334102 /nfs/dbraw/zinc/33/41/02/187334102.db2.gz XLRGUTVJFNPEQX-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCCSCCNCc1ccnn1-c1ccncc1 ZINC000594965722 349533310 /nfs/dbraw/zinc/53/33/10/349533310.db2.gz CXAJXVJGTKFAKB-UHFFFAOYSA-N 0 3 288.420 2.666 20 30 CFEDHN COC(=O)c1cc(CNC(C)(C)c2cccc(C#N)c2)c[nH]1 ZINC000594970272 349536133 /nfs/dbraw/zinc/53/61/33/349536133.db2.gz WRWHGFCZSZEXOM-UHFFFAOYSA-N 0 3 297.358 2.698 20 30 CFEDHN CC(C)(C)OCCCNCc1ccc(C#N)s1 ZINC000594975203 349536489 /nfs/dbraw/zinc/53/64/89/349536489.db2.gz MTEZARNLINANTE-UHFFFAOYSA-N 0 3 252.383 2.915 20 30 CFEDHN CO[C@H](CNCc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000594993965 349541422 /nfs/dbraw/zinc/54/14/22/349541422.db2.gz ISQNHLDYJDBITM-MRXNPFEDSA-N 0 3 298.390 2.501 20 30 CFEDHN COc1cc(CNC[C@@H]2CCC[C@H](C)O2)ccc1C#N ZINC000594988108 349539770 /nfs/dbraw/zinc/53/97/70/349539770.db2.gz YWICWJJLGDOMIM-WFASDCNBSA-N 0 3 274.364 2.614 20 30 CFEDHN C[C@H]1CCC[C@H](CNCc2ccc(C#N)s2)O1 ZINC000594987102 349540387 /nfs/dbraw/zinc/54/03/87/349540387.db2.gz WIUWUYAWKMGROM-WDEREUQCSA-N 0 3 250.367 2.667 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243564 178366995 /nfs/dbraw/zinc/36/69/95/178366995.db2.gz QUQZHIIJTVBWMP-UHFFFAOYSA-N 0 3 286.419 2.730 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049809 349564934 /nfs/dbraw/zinc/56/49/34/349564934.db2.gz DMRMKNXCKAQPMM-RYUDHWBXSA-N 0 3 294.351 2.581 20 30 CFEDHN C=CCCSCCN[C@H]1CCCn2nccc21 ZINC000595057717 349569576 /nfs/dbraw/zinc/56/95/76/349569576.db2.gz CWQWDEOEPJZECC-LBPRGKRZSA-N 0 3 251.399 2.617 20 30 CFEDHN C=CCCSCCN[C@@H](C)c1cnn(CC)c1 ZINC000595057774 349569624 /nfs/dbraw/zinc/56/96/24/349569624.db2.gz DVNXJBXJCHPWGD-LBPRGKRZSA-N 0 3 253.415 2.863 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCO[C@H]1CC1(F)F)CC2 ZINC000595066872 349572000 /nfs/dbraw/zinc/57/20/00/349572000.db2.gz CMSQWFHMEMVSFR-KBPBESRZSA-N 0 3 278.302 2.559 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1COC2(CCC2)C1 ZINC000595039132 349559671 /nfs/dbraw/zinc/55/96/71/349559671.db2.gz CXDJCQGZYVJBCE-GDBMZVCRSA-N 0 3 268.360 2.847 20 30 CFEDHN N#CC1(CNC2CCN(c3cnccn3)CC2)CCCCC1 ZINC000595090078 349577383 /nfs/dbraw/zinc/57/73/83/349577383.db2.gz CEGHPWVGYMWMJE-UHFFFAOYSA-N 0 3 299.422 2.509 20 30 CFEDHN CC[C@H](N[C@H]1C[C@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595092765 349579429 /nfs/dbraw/zinc/57/94/29/349579429.db2.gz WKFORJNNBAXRNN-JYJNAYRXSA-N 0 3 270.376 2.902 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@@H](O)C12CCC2 ZINC000595091930 349579580 /nfs/dbraw/zinc/57/95/80/349579580.db2.gz UURJCNOMEOSBHD-YESZJQIVSA-N 0 3 282.387 2.829 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000595250173 349587504 /nfs/dbraw/zinc/58/75/04/349587504.db2.gz LXBRBKXNJJEJLP-ILXRZTDVSA-N 0 3 277.412 2.649 20 30 CFEDHN C=CCCSCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000595256586 349588055 /nfs/dbraw/zinc/58/80/55/349588055.db2.gz NVEHPQMDWRMMNI-OAHLLOKOSA-N 0 3 290.432 2.647 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NC1CCC(C2CCC2)CC1 ZINC000595259983 349589041 /nfs/dbraw/zinc/58/90/41/349589041.db2.gz RSBWVFMKMQYCPZ-GPANFISMSA-N 0 3 291.439 2.873 20 30 CFEDHN CO[C@@H](CN(C)Cc1ccc(C#N)cc1)C1CCC1 ZINC000595289891 349592405 /nfs/dbraw/zinc/59/24/05/349592405.db2.gz RBLXGGSUPIVIKM-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN CC(C)CO[C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595345942 349607346 /nfs/dbraw/zinc/60/73/46/349607346.db2.gz RYDZMCKQGUFBFX-KRWDZBQOSA-N 0 3 272.392 2.848 20 30 CFEDHN N#Cc1cccc(CNC[C@@H](O)CCc2ccccc2)c1 ZINC000273091244 192040943 /nfs/dbraw/zinc/04/09/43/192040943.db2.gz KXYHKAXOQMUBSD-SFHVURJKSA-N 0 3 280.371 2.642 20 30 CFEDHN N#Cc1ccc(CCN2CCc3ccc(O)cc3C2)cc1 ZINC000595377720 349612256 /nfs/dbraw/zinc/61/22/56/349612256.db2.gz REXMWOUTYFAFQG-UHFFFAOYSA-N 0 3 278.355 2.865 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@H](OC(F)F)C2)cc1 ZINC000595429739 349623635 /nfs/dbraw/zinc/62/36/35/349623635.db2.gz JLLBLMWBDYAPCZ-AWEZNQCLSA-N 0 3 280.318 2.804 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccco1 ZINC001085119189 781920243 /nfs/dbraw/zinc/92/02/43/781920243.db2.gz IULWAGKYXVEZRI-VXGBXAGGSA-N 0 3 282.771 2.663 20 30 CFEDHN CC(C)O[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595563228 349660714 /nfs/dbraw/zinc/66/07/14/349660714.db2.gz OUQZOUYBTNDFKJ-MRXNPFEDSA-N 0 3 258.365 2.600 20 30 CFEDHN CC[C@H](CC#N)NCC[C@H]1Sc2ccccc2NC1=O ZINC000595530262 349651719 /nfs/dbraw/zinc/65/17/19/349651719.db2.gz QMKBBFALVYZFLT-BXUZGUMPSA-N 0 3 289.404 2.771 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(O)CCc3ccccc32)c(F)c1 ZINC000269805404 190554460 /nfs/dbraw/zinc/55/44/60/190554460.db2.gz KMPUZOCVWZEJLB-GOSISDBHSA-N 0 3 296.345 2.621 20 30 CFEDHN CC(C)(NCCO[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000595638390 349685864 /nfs/dbraw/zinc/68/58/64/349685864.db2.gz CPLCSMKOTIPLSR-INIZCTEOSA-N 0 3 288.391 2.926 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(CCCC2)CC1 ZINC000595642101 349687502 /nfs/dbraw/zinc/68/75/02/349687502.db2.gz NZHAZILZNSMBIU-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CN(C(=O)CCN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595621403 349679830 /nfs/dbraw/zinc/67/98/30/349679830.db2.gz UIKBRPGKULXYIS-OAHLLOKOSA-N 0 3 285.391 2.665 20 30 CFEDHN COC(=O)C(C)(C)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595633272 349683507 /nfs/dbraw/zinc/68/35/07/349683507.db2.gz QKXADYSXNHPTNG-UHFFFAOYSA-N 0 3 288.391 2.972 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@H](C)CO ZINC000595678713 349698695 /nfs/dbraw/zinc/69/86/95/349698695.db2.gz UFWVORMZNBRWBR-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000595671812 349696293 /nfs/dbraw/zinc/69/62/93/349696293.db2.gz WAPDASJEBIFUCY-RHSMWYFYSA-N 0 3 297.402 2.794 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742341 349720799 /nfs/dbraw/zinc/72/07/99/349720799.db2.gz FESOISSHJBESIM-UPJWGTAASA-N 0 3 258.365 2.568 20 30 CFEDHN COc1ccc2c(c1)CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000595758718 349724935 /nfs/dbraw/zinc/72/49/35/349724935.db2.gz DYCOAYPWGQBDPB-WFASDCNBSA-N 0 3 256.349 2.746 20 30 CFEDHN CN(CCCC#N)CCOc1cccc(Cl)c1 ZINC000070758648 346912956 /nfs/dbraw/zinc/91/29/56/346912956.db2.gz UERGSANHBFLTHG-UHFFFAOYSA-N 0 3 252.745 2.954 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000595765090 349727583 /nfs/dbraw/zinc/72/75/83/349727583.db2.gz GYMYFKCHXFAAHO-CYBMUJFWSA-N 0 3 291.420 2.953 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595782961 349732612 /nfs/dbraw/zinc/73/26/12/349732612.db2.gz LAKDTXICGZAGMR-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN N#Cc1cccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595911969 349767681 /nfs/dbraw/zinc/76/76/81/349767681.db2.gz XMADMGDHTVMHNA-HDICACEKSA-N 0 3 282.387 2.951 20 30 CFEDHN C=CCCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595913337 349767450 /nfs/dbraw/zinc/76/74/50/349767450.db2.gz SCCDJCWHXHRUOJ-NSHDSACASA-N 0 3 280.393 2.685 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000595869469 349757425 /nfs/dbraw/zinc/75/74/25/349757425.db2.gz DIKOSBCEBZZADI-IOASZLSFSA-N 0 3 258.365 2.570 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CCC1CC1)CC1CC1 ZINC000595872478 349758768 /nfs/dbraw/zinc/75/87/68/349758768.db2.gz ZOCGDSICESGSSS-AWEZNQCLSA-N 0 3 291.439 2.507 20 30 CFEDHN N#CC1(NC(=O)CN2CCCC[C@H]2CC2CCC2)CCC1 ZINC000595871314 349759138 /nfs/dbraw/zinc/75/91/38/349759138.db2.gz OIDUBECQXKORTN-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN C[C@@](Cc1ccccc1)(NC(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000595976321 349773976 /nfs/dbraw/zinc/77/39/76/349773976.db2.gz NESXOGXRXKWACO-WMZOPIPTSA-N 0 3 299.418 2.535 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000595991800 349774603 /nfs/dbraw/zinc/77/46/03/349774603.db2.gz LBBBKTCNAOWXBX-KKUMJFAQSA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000595958817 349771850 /nfs/dbraw/zinc/77/18/50/349771850.db2.gz JDLBRIXFVUPZJS-SJLPKXTDSA-N 0 3 299.418 2.631 20 30 CFEDHN CCC1(CC)CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595943383 349772344 /nfs/dbraw/zinc/77/23/44/349772344.db2.gz OASSMMYDXQZPET-CQSZACIVSA-N 0 3 279.428 2.826 20 30 CFEDHN CCN1CCC(Nc2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596061723 349784227 /nfs/dbraw/zinc/78/42/27/349784227.db2.gz IDTZBPFHUDPZKX-UHFFFAOYSA-N 0 3 288.351 2.671 20 30 CFEDHN CC[C@H](NCCOCCF)c1ccc(C#N)cc1 ZINC000596094980 349793962 /nfs/dbraw/zinc/79/39/62/349793962.db2.gz MNCLGNSFNIKXDP-AWEZNQCLSA-N 0 3 250.317 2.585 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1nc2ncccc2cc1C#N ZINC000596132204 349803047 /nfs/dbraw/zinc/80/30/47/349803047.db2.gz JYDWJVYREDXPRQ-OAHLLOKOSA-N 0 3 295.390 2.788 20 30 CFEDHN CCc1ccc([C@@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000335964246 529714977 /nfs/dbraw/zinc/71/49/77/529714977.db2.gz QPSCXVPFTPIOBE-SWLSCSKDSA-N 0 3 256.349 2.725 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000127919512 187340954 /nfs/dbraw/zinc/34/09/54/187340954.db2.gz PZOMUDSMDHQLMF-UHFFFAOYSA-N 0 3 258.365 2.543 20 30 CFEDHN Cc1ccc(C#N)nc1N1CCN(C2CCCCC2)CC1 ZINC000596170143 349816373 /nfs/dbraw/zinc/81/63/73/349816373.db2.gz WZFWPCGATJTKGM-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CCN(CCCN1CCCC1)c1nc(C#N)c(Cl)s1 ZINC000596206302 349827167 /nfs/dbraw/zinc/82/71/67/349827167.db2.gz RTFKBXYYMMTENL-UHFFFAOYSA-N 0 3 298.843 2.980 20 30 CFEDHN C=CCc1cc(CN(C)C[C@@H]2CCCO2)cc(OC)c1O ZINC000128028705 187346947 /nfs/dbraw/zinc/34/69/47/187346947.db2.gz UZQSUKMAFBTEIG-HNNXBMFYSA-N 0 3 291.391 2.740 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000596306483 349857971 /nfs/dbraw/zinc/85/79/71/349857971.db2.gz DUWFNWKMGWOESI-AWEZNQCLSA-N 0 3 294.402 2.813 20 30 CFEDHN CN(C)c1ccccc1CN1CCC(C)(C#N)CC1 ZINC000335974106 282300769 /nfs/dbraw/zinc/30/07/69/282300769.db2.gz IAJZZFPPCWEPLT-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000596336435 349869091 /nfs/dbraw/zinc/86/90/91/349869091.db2.gz PIEJHIILAUQQFO-LBPRGKRZSA-N 0 3 288.351 2.751 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000344593442 530051684 /nfs/dbraw/zinc/05/16/84/530051684.db2.gz CCAQKHGIZKDXIJ-MRXNPFEDSA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000075504386 347080398 /nfs/dbraw/zinc/08/03/98/347080398.db2.gz IFZJNJMRWLZTGJ-LSDHHAIUSA-N 0 3 299.418 3.000 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000668370252 539431095 /nfs/dbraw/zinc/43/10/95/539431095.db2.gz RQWYVOHOOGBIAL-BMFZPTHFSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000295111996 199350490 /nfs/dbraw/zinc/35/04/90/199350490.db2.gz XKFINDMQADFFII-OAHLLOKOSA-N 0 3 274.408 2.615 20 30 CFEDHN C=C[C@H](CC(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000127510495 187311681 /nfs/dbraw/zinc/31/16/81/187311681.db2.gz MVEBHHXSGPZOPH-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(C#N)cc1)N1CCCC[C@@H]1C ZINC000032731916 346307238 /nfs/dbraw/zinc/30/72/38/346307238.db2.gz PWEZPTMDAFORRT-KBPBESRZSA-N 0 3 285.391 2.551 20 30 CFEDHN Cc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574040 346352512 /nfs/dbraw/zinc/35/25/12/346352512.db2.gz UBQZUNFGMUXFLS-CQSZACIVSA-N 0 3 265.316 2.892 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000046526890 346429985 /nfs/dbraw/zinc/42/99/85/346429985.db2.gz LMEKNUHNBRKPOG-UHFFFAOYSA-N 0 3 291.354 2.941 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000048058146 346465721 /nfs/dbraw/zinc/46/57/21/346465721.db2.gz GNDBRGAODNEFPZ-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)[C@@H](N)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000049895984 346486626 /nfs/dbraw/zinc/48/66/26/346486626.db2.gz OREOZCDJQQXBIN-SNVBAGLBSA-N 0 3 276.365 2.776 20 30 CFEDHN N#Cc1ccccc1N1CCCN(C[C@H]2CCCCO2)CC1 ZINC000058580308 346646825 /nfs/dbraw/zinc/64/68/25/346646825.db2.gz RQCGJMOBYHFACE-QGZVFWFLSA-N 0 3 299.418 2.639 20 30 CFEDHN C=CCCCN(C)C(=O)NCCN1CCCC[C@H]1CC ZINC000076975324 347162960 /nfs/dbraw/zinc/16/29/60/347162960.db2.gz LUMKFDMYWYDUBU-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN N#Cc1ccccc1CN1CCC2(C1)CCOCC2 ZINC000076158421 347126813 /nfs/dbraw/zinc/12/68/13/347126813.db2.gz XOOYOEBSNXGCFA-UHFFFAOYSA-N 0 3 256.349 2.561 20 30 CFEDHN N#Cc1cccc(CN[C@H](CCO)c2ccccc2)c1 ZINC000077467947 347193806 /nfs/dbraw/zinc/19/38/06/347193806.db2.gz UTRQHFWWDITCHK-QGZVFWFLSA-N 0 3 266.344 2.772 20 30 CFEDHN O=C(C#Cc1ccccc1)N1CCC[C@H](N2CCCCC2)C1 ZINC000081688880 347433682 /nfs/dbraw/zinc/43/36/82/347433682.db2.gz QUVLUCXAMPDZOU-SFHVURJKSA-N 0 3 296.414 2.515 20 30 CFEDHN Cc1ncc([C@@H](C)NCCOc2ccc(C#N)cc2)c(C)n1 ZINC000090106788 347542201 /nfs/dbraw/zinc/54/22/01/347542201.db2.gz CLSVSROIMMFYFV-GFCCVEGCSA-N 0 3 296.374 2.695 20 30 CFEDHN Cc1cc(F)cc2c1ncc(C#N)c2NCCN(C)C ZINC000090998450 347564603 /nfs/dbraw/zinc/56/46/03/347564603.db2.gz WIMGYOMZZKYCJJ-UHFFFAOYSA-N 0 3 272.327 2.528 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092073088 347609210 /nfs/dbraw/zinc/60/92/10/347609210.db2.gz IGRRLUAITKIIPP-MRXNPFEDSA-N 0 3 295.386 2.801 20 30 CFEDHN C[C@H]1CC[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093498492 347677069 /nfs/dbraw/zinc/67/70/69/347677069.db2.gz JDXKDAGYRWCFPW-STQMWFEESA-N 0 3 268.364 2.826 20 30 CFEDHN Cc1ccc([C@@H](CNc2cnccc2C#N)N(C)C)cc1 ZINC000094150981 347693139 /nfs/dbraw/zinc/69/31/39/347693139.db2.gz GFKMZHLKYPDORY-QGZVFWFLSA-N 0 3 280.375 2.977 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1cc(C)ncn1)C(C)C ZINC000110127723 347747973 /nfs/dbraw/zinc/74/79/73/347747973.db2.gz LVZCEYCYRIIBAX-HNNXBMFYSA-N 0 3 274.412 2.896 20 30 CFEDHN Cc1cc(NC2CCN(CC#N)CC2)c2ccccc2n1 ZINC000110824770 347750305 /nfs/dbraw/zinc/75/03/05/347750305.db2.gz IMJQUPJPEOLNDP-UHFFFAOYSA-N 0 3 280.375 2.943 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2CC)CC1 ZINC000119953601 347804862 /nfs/dbraw/zinc/80/48/62/347804862.db2.gz MEQRXAJJMLCPNJ-ZBFHGGJFSA-N 0 3 293.455 2.905 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000596712366 349977032 /nfs/dbraw/zinc/97/70/32/349977032.db2.gz ZUXMHCUGLIXPLL-HOCLYGCPSA-N 0 3 287.407 2.735 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000596712365 349977216 /nfs/dbraw/zinc/97/72/16/349977216.db2.gz ZUXMHCUGLIXPLL-GOEBONIOSA-N 0 3 287.407 2.735 20 30 CFEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCC[C@H](C)C1 ZINC000148513237 347950679 /nfs/dbraw/zinc/95/06/79/347950679.db2.gz NVXMHHJZANSNNH-GJZGRUSLSA-N 0 3 291.439 2.697 20 30 CFEDHN C[C@@H](N[C@@H](C)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000157592691 348001292 /nfs/dbraw/zinc/00/12/92/348001292.db2.gz KCPRXBSEMUPZDK-NWDGAFQWSA-N 0 3 271.364 2.663 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@](C)(CO)c1ccccc1 ZINC000159793078 348014405 /nfs/dbraw/zinc/01/44/05/348014405.db2.gz QTNCZPOAOFQKJH-GOSISDBHSA-N 0 3 280.371 2.864 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@@](C)(CO)c1ccccc1 ZINC000159792961 348014474 /nfs/dbraw/zinc/01/44/74/348014474.db2.gz QTNCZPOAOFQKJH-SFHVURJKSA-N 0 3 280.371 2.864 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000172908570 348103644 /nfs/dbraw/zinc/10/36/44/348103644.db2.gz UJNOBZXEUKKLPB-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccccc1C ZINC000183244329 348125997 /nfs/dbraw/zinc/12/59/97/348125997.db2.gz NAOJJOGCIGXPSY-INIZCTEOSA-N 0 3 274.408 2.974 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2C(C)C)CC1 ZINC000172336148 348090983 /nfs/dbraw/zinc/09/09/83/348090983.db2.gz KZMNJWPNGRZGMG-INIZCTEOSA-N 0 3 293.455 2.857 20 30 CFEDHN C[C@H](N[C@H](CO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000271825617 348332305 /nfs/dbraw/zinc/33/23/05/348332305.db2.gz DAMVMOCBOZUTHT-KBXCAEBGSA-N 0 3 296.370 2.973 20 30 CFEDHN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C#N)c(F)c1 ZINC000271992597 348332347 /nfs/dbraw/zinc/33/23/47/348332347.db2.gz ZVCYSZYXTYATBH-VHIFSBLJSA-N 0 3 260.312 2.668 20 30 CFEDHN CCC(CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279384331 348339894 /nfs/dbraw/zinc/33/98/94/348339894.db2.gz SZRDAHKFVYMQBQ-INIZCTEOSA-N 0 3 283.375 2.793 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)o1 ZINC000281208858 348342399 /nfs/dbraw/zinc/34/23/99/348342399.db2.gz JNODDINADSDBJN-ARFHVFGLSA-N 0 3 274.364 2.667 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccnn1-c1ccccc1 ZINC000281575448 348342989 /nfs/dbraw/zinc/34/29/89/348342989.db2.gz KTHSHYFXBZTYSH-CYBMUJFWSA-N 0 3 254.337 2.827 20 30 CFEDHN COc1cc(CN[C@H]2CCC(F)(F)C2)ccc1C#N ZINC000311618090 348414006 /nfs/dbraw/zinc/41/40/06/348414006.db2.gz HCAHQFGOJLNSPO-LBPRGKRZSA-N 0 3 266.291 2.844 20 30 CFEDHN CN(C)[C@H](CNc1ncc(C#N)cc1F)c1ccccc1 ZINC000413022684 233005666 /nfs/dbraw/zinc/00/56/66/233005666.db2.gz FNOLENGGPLRPPF-OAHLLOKOSA-N 0 3 284.338 2.807 20 30 CFEDHN C=CCC[C@H](CO)NCc1cccc2c1OC(C)(C)C2 ZINC000320320186 348436131 /nfs/dbraw/zinc/43/61/31/348436131.db2.gz WGQAULJNVMIIOY-OAHLLOKOSA-N 0 3 275.392 2.817 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cccc2c1OC(C)(C)C2 ZINC000320320185 348436277 /nfs/dbraw/zinc/43/62/77/348436277.db2.gz WGQAULJNVMIIOY-HNNXBMFYSA-N 0 3 275.392 2.817 20 30 CFEDHN Cc1cc(N[C@H]2CCN(C(C)C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413088654 233016847 /nfs/dbraw/zinc/01/68/47/233016847.db2.gz VSHKKZRBHIJGRO-ZDUSSCGKSA-N 0 3 288.351 2.670 20 30 CFEDHN N#CC1(CC(=O)NCCN2CCCCCC2)CCCCC1 ZINC000596781269 349989773 /nfs/dbraw/zinc/98/97/73/349989773.db2.gz SOXVVIOZSVVLBX-UHFFFAOYSA-N 0 3 291.439 2.843 20 30 CFEDHN CC1(C)CN(CCC2(C#N)CCCCC2)CC[C@H]1O ZINC000334553655 348447072 /nfs/dbraw/zinc/44/70/72/348447072.db2.gz IHJYWALXPAODBY-CQSZACIVSA-N 0 3 264.413 2.943 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)F)cc1)c1ccncn1 ZINC000354482460 348501336 /nfs/dbraw/zinc/50/13/36/348501336.db2.gz ZXUMUFWXHLGDGQ-NSHDSACASA-N 0 3 273.242 2.904 20 30 CFEDHN N#CCCNC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379648675 348522380 /nfs/dbraw/zinc/52/23/80/348522380.db2.gz MSEJISZRIWHSQZ-INIZCTEOSA-N 0 3 257.381 2.544 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CC2CCCC2)cc1F ZINC000404171550 348590255 /nfs/dbraw/zinc/59/02/55/348590255.db2.gz WBGHJGPAICKRTQ-OAHLLOKOSA-N 0 3 276.355 2.728 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@@H](O)CC2CCCC2)C1 ZINC000397659242 348562749 /nfs/dbraw/zinc/56/27/49/348562749.db2.gz NLJZRNPBXDTICL-GJZGRUSLSA-N 0 3 250.386 2.553 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@@H](O)CC2CCCC2)C1 ZINC000397659240 348562996 /nfs/dbraw/zinc/56/29/96/348562996.db2.gz NLJZRNPBXDTICL-CABCVRRESA-N 0 3 250.386 2.553 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000491812877 348630673 /nfs/dbraw/zinc/63/06/73/348630673.db2.gz OVKWSFKPHRYGAD-GFCCVEGCSA-N 0 3 259.349 2.785 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000584844055 348721752 /nfs/dbraw/zinc/72/17/52/348721752.db2.gz OFJPFOIQRLPIGF-QGZVFWFLSA-N 0 3 298.430 2.558 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC[C@H](C#N)CCC#N ZINC000580316625 348673220 /nfs/dbraw/zinc/67/32/20/348673220.db2.gz PPCMDURMQWVROI-NJAFHUGGSA-N 0 3 296.418 2.540 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@H](C#N)CCC#N ZINC000580316623 348673243 /nfs/dbraw/zinc/67/32/43/348673243.db2.gz PPCMDURMQWVROI-BPQIPLTHSA-N 0 3 296.418 2.540 20 30 CFEDHN N#Cc1c(C(F)F)cccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000584731633 348710820 /nfs/dbraw/zinc/71/08/20/348710820.db2.gz ZXBJBKUWLJTZEN-GFCCVEGCSA-N 0 3 289.329 2.946 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000585755172 348743452 /nfs/dbraw/zinc/74/34/52/348743452.db2.gz NXVNBNQQZXVLPA-ZMSDIMECSA-N 0 3 287.403 2.798 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)CO ZINC000589496751 348835968 /nfs/dbraw/zinc/83/59/68/348835968.db2.gz MKHNDDOLJWYKJL-UHFFFAOYSA-N 0 3 286.297 2.780 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)O ZINC000589504025 348837246 /nfs/dbraw/zinc/83/72/46/348837246.db2.gz PQUVSDAHYZOAEB-SECBINFHSA-N 0 3 286.297 2.826 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000589508247 348837272 /nfs/dbraw/zinc/83/72/72/348837272.db2.gz CMVCVZOJVNZNHD-CYBMUJFWSA-N 0 3 298.308 2.828 20 30 CFEDHN C[C@H](CN1CCN(c2cnccc2C#N)CC1)C(C)(C)C ZINC000590053340 348871554 /nfs/dbraw/zinc/87/15/54/348871554.db2.gz ZJABFJJOWOWJLK-CQSZACIVSA-N 0 3 286.423 2.757 20 30 CFEDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000590162976 348881048 /nfs/dbraw/zinc/88/10/48/348881048.db2.gz IRTUNQOHEKWERL-WMLDXEAASA-N 0 3 297.402 2.703 20 30 CFEDHN C[C@H](CN1CCN(CCC#N)CC1)C1CCCCC1 ZINC000590168890 348881924 /nfs/dbraw/zinc/88/19/24/348881924.db2.gz UWFSQWULKDUOJW-OAHLLOKOSA-N 0 3 263.429 2.734 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ccccn3)CC2)C1 ZINC000590169092 348882031 /nfs/dbraw/zinc/88/20/31/348882031.db2.gz CWBWEJICRFFBCK-UKRRQHHQSA-N 0 3 255.365 2.953 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCC[C@H]2C(=O)OC)cc1 ZINC000590657352 348922754 /nfs/dbraw/zinc/92/27/54/348922754.db2.gz HTTMRMJIEXDKQX-CVEARBPZSA-N 0 3 289.375 2.683 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)cc1F ZINC000591733618 349041162 /nfs/dbraw/zinc/04/11/62/349041162.db2.gz AXSGPTZAQYFNJZ-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN CC(C)(C)N1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591818830 349047437 /nfs/dbraw/zinc/04/74/37/349047437.db2.gz SEYKZCOTGVCZGK-UHFFFAOYSA-N 0 3 298.434 2.753 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CC1(F)F ZINC000591266091 349005538 /nfs/dbraw/zinc/00/55/38/349005538.db2.gz ZSJLZUSGLPZNHI-LDYMZIIASA-N 0 3 254.255 2.831 20 30 CFEDHN N#CC1(CNC[C@H]2CCOc3ccccc32)CCC1 ZINC000591357719 349011503 /nfs/dbraw/zinc/01/15/03/349011503.db2.gz BQPQARWOANMXTI-CYBMUJFWSA-N 0 3 256.349 2.836 20 30 CFEDHN N#Cc1cnccc1CN1CCN(CC2CCCCC2)CC1 ZINC000592065124 349077350 /nfs/dbraw/zinc/07/73/50/349077350.db2.gz MWYZOVULNXPAFL-UHFFFAOYSA-N 0 3 298.434 2.651 20 30 CFEDHN CCN(CCC#N)C(=O)CNC1(c2cccc(C)c2)CCC1 ZINC000592145817 349090366 /nfs/dbraw/zinc/09/03/66/349090366.db2.gz CDICHEGHPCONCK-UHFFFAOYSA-N 0 3 299.418 2.726 20 30 CFEDHN CN(CCC(C)(C)C)CC(=O)NC1(C#N)CCCCC1 ZINC000592144478 349090417 /nfs/dbraw/zinc/09/04/17/349090417.db2.gz JJNPYHGTGLNZBN-UHFFFAOYSA-N 0 3 279.428 2.697 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2csc3ccccc23)C1 ZINC000592151182 349091146 /nfs/dbraw/zinc/09/11/46/349091146.db2.gz NTCFLNXIIDIDID-OAHLLOKOSA-N 0 3 272.373 2.752 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCC)CC1 ZINC000592293494 349104896 /nfs/dbraw/zinc/10/48/96/349104896.db2.gz MVAJFMGNYVATAC-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN Cc1nc2ccccc2c(N2CC[C@](O)(CC#N)C2)c1C ZINC000591973108 349067585 /nfs/dbraw/zinc/06/75/85/349067585.db2.gz BEEUPMZBKHEKSU-QGZVFWFLSA-N 0 3 281.359 2.707 20 30 CFEDHN N#CCc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000592391476 349114647 /nfs/dbraw/zinc/11/46/47/349114647.db2.gz XRCUBIYSXPHKDL-HOTGVXAUSA-N 0 3 253.349 2.925 20 30 CFEDHN CCCC[C@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000592513951 349129577 /nfs/dbraw/zinc/12/95/77/349129577.db2.gz ZSPVRSVXKKAKCI-LBPRGKRZSA-N 0 3 271.368 2.611 20 30 CFEDHN CC1(C)CN(Cc2cnc3c(C#N)cnn3c2)[C@@H]2CCC[C@@H]21 ZINC000592514766 349130827 /nfs/dbraw/zinc/13/08/27/349130827.db2.gz ISIHEBKTQAZSSZ-LSDHHAIUSA-N 0 3 295.390 2.611 20 30 CFEDHN Cc1oc2ccccc2c1CN1CC[C@@](O)(CC#N)C1 ZINC000592523125 349132881 /nfs/dbraw/zinc/13/28/81/349132881.db2.gz VYVGSILTEQMFAS-INIZCTEOSA-N 0 3 270.332 2.592 20 30 CFEDHN CCc1oc2ccccc2c1CN1CC[C@](O)(CC#N)C1 ZINC000592524053 349133676 /nfs/dbraw/zinc/13/36/76/349133676.db2.gz UEPJNYAJVZUCMV-QGZVFWFLSA-N 0 3 284.359 2.846 20 30 CFEDHN CC(C)N(C(=O)[C@@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592870023 349173592 /nfs/dbraw/zinc/17/35/92/349173592.db2.gz BTUCBHHZFACIHY-RDJZCZTQSA-N 0 3 299.418 2.658 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(C2(O)CC2)CC1 ZINC000593049227 349194425 /nfs/dbraw/zinc/19/44/25/349194425.db2.gz IOMZGYLTKGXSGE-UHFFFAOYSA-N 0 3 270.376 2.604 20 30 CFEDHN N#CCCN(C(=O)CNC1(C2CCC2)CC1)c1ccccc1 ZINC000593079198 349203232 /nfs/dbraw/zinc/20/32/32/349203232.db2.gz DGLCMLJGVPRWQL-UHFFFAOYSA-N 0 3 297.402 2.856 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)[C@@H](Cc2ccccc2)C1 ZINC000593089939 349205744 /nfs/dbraw/zinc/20/57/44/349205744.db2.gz WDLHWCNIBDYEKJ-KRWDZBQOSA-N 0 3 285.435 2.785 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000593341100 349250598 /nfs/dbraw/zinc/25/05/98/349250598.db2.gz LGDXUABLENHNMB-DOMZBBRYSA-N 0 3 283.375 2.791 20 30 CFEDHN CC[C@@H](C#N)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000593391220 349258981 /nfs/dbraw/zinc/25/89/81/349258981.db2.gz QBNMFBGCFFZCEL-HNNXBMFYSA-N 0 3 299.418 2.838 20 30 CFEDHN CN(C)[C@H](CC(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC000593786504 349327295 /nfs/dbraw/zinc/32/72/95/349327295.db2.gz LINIYOMIUGAXCW-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN CCC(C#N)C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593848050 349331360 /nfs/dbraw/zinc/33/13/60/349331360.db2.gz WSYWUHPBDARINC-OLZOCXBDSA-N 0 3 294.395 2.649 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)C(=O)CCCCC#N ZINC000593951471 349338576 /nfs/dbraw/zinc/33/85/76/349338576.db2.gz BKALOFXSEKMCTK-UHFFFAOYSA-N 0 3 287.407 2.661 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000593995520 349348597 /nfs/dbraw/zinc/34/85/97/349348597.db2.gz VUDGUUDBJMNCGR-MRXNPFEDSA-N 0 3 299.418 2.540 20 30 CFEDHN CC(C)[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033538 349358619 /nfs/dbraw/zinc/35/86/19/349358619.db2.gz RLLPWKAYEBCDCB-HNNXBMFYSA-N 0 3 258.365 2.544 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCC#N ZINC000594004791 349351477 /nfs/dbraw/zinc/35/14/77/349351477.db2.gz CXFUSDKBWJNWCX-WBVHZDCISA-N 0 3 299.418 2.707 20 30 CFEDHN CC(C)[C@H]1C[C@H](NCC2(C#N)CCCC2)CCO1 ZINC000593653285 349304612 /nfs/dbraw/zinc/30/46/12/349304612.db2.gz HIHIDEZIQSGKIT-ZIAGYGMSSA-N 0 3 250.386 2.864 20 30 CFEDHN C[C@@H](CC1CCOCC1)NCC1(C#N)CCCC1 ZINC000593653403 349305065 /nfs/dbraw/zinc/30/50/65/349305065.db2.gz JUGOKLAOIDNGTF-ZDUSSCGKSA-N 0 3 250.386 2.865 20 30 CFEDHN CCN(Cc1cc(C#N)cs1)[C@H]1CCCOC1 ZINC000593674074 349307888 /nfs/dbraw/zinc/30/78/88/349307888.db2.gz MTXOVQHKYINZPN-LBPRGKRZSA-N 0 3 250.367 2.621 20 30 CFEDHN CC(C#N)C(=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC000593755107 349320877 /nfs/dbraw/zinc/32/08/77/349320877.db2.gz WYMWMCOMMREUQR-AWEZNQCLSA-N 0 3 282.387 2.944 20 30 CFEDHN CC(C#N)C(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC000593767274 349322625 /nfs/dbraw/zinc/32/26/25/349322625.db2.gz KEYPLYOHBWQKLE-GFCCVEGCSA-N 0 3 280.327 2.991 20 30 CFEDHN CC(C)[C@H](C(=O)NCC1(C#N)CCCC1)N1CCCCC1 ZINC000593782416 349325643 /nfs/dbraw/zinc/32/56/43/349325643.db2.gz LZEINMRBELDZKQ-OAHLLOKOSA-N 0 3 291.439 2.697 20 30 CFEDHN N#CCCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000594220432 349395854 /nfs/dbraw/zinc/39/58/54/349395854.db2.gz ZJZAHLQHKFFGAY-UHFFFAOYSA-N 0 3 299.418 2.805 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594258001 349401322 /nfs/dbraw/zinc/40/13/22/349401322.db2.gz YACVCVJLFRBQAM-SJLPKXTDSA-N 0 3 299.418 2.563 20 30 CFEDHN CCOC(=O)CCN(Cc1ccc(F)c(C#N)c1)C(C)C ZINC000594050421 349364308 /nfs/dbraw/zinc/36/43/08/349364308.db2.gz HDWVQOFYEYHFTP-UHFFFAOYSA-N 0 3 292.354 2.861 20 30 CFEDHN CO[C@H](C)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594437384 349422471 /nfs/dbraw/zinc/42/24/71/349422471.db2.gz LQPGELHIIFINSY-IUODEOHRSA-N 0 3 289.379 2.744 20 30 CFEDHN CC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594438799 349422566 /nfs/dbraw/zinc/42/25/66/349422566.db2.gz XEMGMRODOOGJJO-SJORKVTESA-N 0 3 299.418 2.761 20 30 CFEDHN COc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1Cl ZINC000594437033 349422575 /nfs/dbraw/zinc/42/25/75/349422575.db2.gz SNGDTPOXUWYXJX-LBPRGKRZSA-N 0 3 295.770 2.698 20 30 CFEDHN Cc1ccc([C@H](C)CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594443417 349423407 /nfs/dbraw/zinc/42/34/07/349423407.db2.gz HFNUSQXCOLDQKH-GDBMZVCRSA-N 0 3 287.407 2.626 20 30 CFEDHN C[C@@H]1c2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000594445039 349423584 /nfs/dbraw/zinc/42/35/84/349423584.db2.gz NZGRXLWUQBRXAR-IUODEOHRSA-N 0 3 271.364 2.501 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000594449079 349425729 /nfs/dbraw/zinc/42/57/29/349425729.db2.gz DURNBGCZJGMXCB-JKSUJKDBSA-N 0 3 291.439 2.873 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000594450203 349425751 /nfs/dbraw/zinc/42/57/51/349425751.db2.gz UHUNAZODHKKAGT-CABCVRRESA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@H](CCNC(=O)[C@H](N)CCCCC#N)CC(C)(C)C ZINC000594456611 349426145 /nfs/dbraw/zinc/42/61/45/349426145.db2.gz RXQDWFYQFQPYNG-ZIAGYGMSSA-N 0 3 281.444 2.976 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000597114829 350031981 /nfs/dbraw/zinc/03/19/81/350031981.db2.gz LLJNQPGVOOTODU-WBVHZDCISA-N 0 3 299.418 2.880 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000597120623 350032867 /nfs/dbraw/zinc/03/28/67/350032867.db2.gz IBMUONAJGLBWLY-DZGCQCFKSA-N 0 3 276.767 2.869 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)CCCCC#N)c(F)c1 ZINC000594372201 349411743 /nfs/dbraw/zinc/41/17/43/349411743.db2.gz RRGWVTXBDDPRHX-UHFFFAOYSA-N 0 3 277.343 2.910 20 30 CFEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)CC=CC1 ZINC000594382679 349412473 /nfs/dbraw/zinc/41/24/73/349412473.db2.gz KEMTVVDLCPRHKY-HNNXBMFYSA-N 0 3 268.360 2.984 20 30 CFEDHN Cc1cccc(C)c1NC(=O)[C@@H](N)CCCCC#N ZINC000594424603 349416790 /nfs/dbraw/zinc/41/67/90/349416790.db2.gz GVOSUYODQBFWAY-ZDUSSCGKSA-N 0 3 259.353 2.653 20 30 CFEDHN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594426495 349417653 /nfs/dbraw/zinc/41/76/53/349417653.db2.gz DGGXSYQHRRGIMR-IUODEOHRSA-N 0 3 291.370 2.756 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@H]1CCc2ccccc21 ZINC000594426520 349417829 /nfs/dbraw/zinc/41/78/29/349417829.db2.gz DQFHLPJQBHQWGA-HOTGVXAUSA-N 0 3 285.391 2.544 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426478 349417931 /nfs/dbraw/zinc/41/79/31/349417931.db2.gz DDNSOJWJNDAMDF-INIZCTEOSA-N 0 3 285.391 2.612 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1 ZINC000594426089 349417965 /nfs/dbraw/zinc/41/79/65/349417965.db2.gz MVDRYMPVHRGTON-GFCCVEGCSA-N 0 3 265.744 2.690 20 30 CFEDHN CCCOc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594427661 349418458 /nfs/dbraw/zinc/41/84/58/349418458.db2.gz VWMJRWFJSUKTNJ-CYBMUJFWSA-N 0 3 289.379 2.825 20 30 CFEDHN C[C@H](c1cccs1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594428461 349418485 /nfs/dbraw/zinc/41/84/85/349418485.db2.gz METLRVGFPHRFJB-VXGBXAGGSA-N 0 3 279.409 2.679 20 30 CFEDHN Cc1ccc(C)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594427613 349418739 /nfs/dbraw/zinc/41/87/39/349418739.db2.gz VHRKTSHNAGMYJX-CYBMUJFWSA-N 0 3 259.353 2.653 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594429876 349419631 /nfs/dbraw/zinc/41/96/31/349419631.db2.gz XPRCOIGDCMRBRJ-HIFRSBDPSA-N 0 3 285.391 2.938 20 30 CFEDHN C[C@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594433143 349420784 /nfs/dbraw/zinc/42/07/84/349420784.db2.gz CIANHVPJAFNYQB-BBRMVZONSA-N 0 3 285.391 2.544 20 30 CFEDHN CN(Cc1cc2ccccc2o1)C(=O)[C@@H](N)CCCCC#N ZINC000594432790 349420912 /nfs/dbraw/zinc/42/09/12/349420912.db2.gz GNIVNIKOWHXKHE-HNNXBMFYSA-N 0 3 299.374 2.802 20 30 CFEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594432536 349420916 /nfs/dbraw/zinc/42/09/16/349420916.db2.gz CLWUPWSISCQPEL-PVAVHDDUSA-N 0 3 299.418 2.802 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594434841 349421812 /nfs/dbraw/zinc/42/18/12/349421812.db2.gz UYBZIZFGUGWDGW-QLFBSQMISA-N 0 3 279.428 2.730 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](N)CCCCC#N ZINC000594435027 349421824 /nfs/dbraw/zinc/42/18/24/349421824.db2.gz ZAIIFAMLULPTQB-MRXNPFEDSA-N 0 3 291.439 2.993 20 30 CFEDHN CSc1ccc(N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594434628 349421844 /nfs/dbraw/zinc/42/18/44/349421844.db2.gz QLXNZPNELNOOBM-AWEZNQCLSA-N 0 3 291.420 2.783 20 30 CFEDHN CCCNc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594435716 349421869 /nfs/dbraw/zinc/42/18/69/349421869.db2.gz ITWZZNLJPGYOOE-CYBMUJFWSA-N 0 3 288.395 2.858 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597309079 350081636 /nfs/dbraw/zinc/08/16/36/350081636.db2.gz IEVNLZVDAUWISF-CABCVRRESA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597152786 350040412 /nfs/dbraw/zinc/04/04/12/350040412.db2.gz DIEGFLPAWXMZNB-CJNGLKHVSA-N 0 3 270.376 2.587 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000597358715 350088924 /nfs/dbraw/zinc/08/89/24/350088924.db2.gz SGQHGKSPXBEJRX-VYDXJSESSA-N 0 3 299.418 2.705 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000597355238 350089043 /nfs/dbraw/zinc/08/90/43/350089043.db2.gz KQLURWBGGCNOJO-VYDXJSESSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000597355236 350089094 /nfs/dbraw/zinc/08/90/94/350089094.db2.gz KQLURWBGGCNOJO-INMHGKMJSA-N 0 3 299.418 2.563 20 30 CFEDHN CC(C)N(CCN1CCCCCC1)C(=O)[C@H](C)CC#N ZINC000597652275 350120875 /nfs/dbraw/zinc/12/08/75/350120875.db2.gz QXCVSCYKCMARKH-OAHLLOKOSA-N 0 3 279.428 2.649 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)[C@@H](C)CC#N ZINC000597687239 350123738 /nfs/dbraw/zinc/12/37/38/350123738.db2.gz NIKBUFXCOQGTLD-NSHDSACASA-N 0 3 274.368 2.592 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCO2)CC1 ZINC000597788649 350135337 /nfs/dbraw/zinc/13/53/37/350135337.db2.gz AVXHJUPLAFBGNE-MRXNPFEDSA-N 0 3 298.386 2.540 20 30 CFEDHN N#CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000597907612 350154637 /nfs/dbraw/zinc/15/46/37/350154637.db2.gz FWIXHFKBBMIEIT-ZBFHGGJFSA-N 0 3 289.423 2.546 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 ZINC000597911349 350156177 /nfs/dbraw/zinc/15/61/77/350156177.db2.gz KTSVQKCSANWZFJ-AWEZNQCLSA-N 0 3 285.391 2.514 20 30 CFEDHN CC(C)[C@H](C(=O)N1CCC[C@H](CC#N)C1)N1CCCCC1 ZINC000597913213 350156754 /nfs/dbraw/zinc/15/67/54/350156754.db2.gz ZMGAKULIBARCDT-HZPDHXFCSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000597948524 350160372 /nfs/dbraw/zinc/16/03/72/350160372.db2.gz OTQYJGVIIRWZMY-GFCCVEGCSA-N 0 3 256.349 2.509 20 30 CFEDHN C[C@H](C#N)N(C(=O)c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000598133515 350205936 /nfs/dbraw/zinc/20/59/36/350205936.db2.gz YNIVKSKIWKDGCJ-CQSZACIVSA-N 0 3 297.402 2.799 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000598209489 350214313 /nfs/dbraw/zinc/21/43/13/350214313.db2.gz MYNTWRBIHQBKRZ-ZETCQYMHSA-N 0 3 257.120 2.769 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000598328849 350236239 /nfs/dbraw/zinc/23/62/39/350236239.db2.gz HTMSNHJVUMOURS-JYJNAYRXSA-N 0 3 268.360 2.627 20 30 CFEDHN C[C@@]1(C#N)CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000598411121 350261145 /nfs/dbraw/zinc/26/11/45/350261145.db2.gz IPUHAXYINYYBCS-SFHVURJKSA-N 0 3 297.402 2.658 20 30 CFEDHN COCC#CCN(C)[C@H]1CCCc2cc(OC)ccc21 ZINC000677818245 539791428 /nfs/dbraw/zinc/79/14/28/539791428.db2.gz HXTGIRYNAAUMFW-KRWDZBQOSA-N 0 3 273.376 2.654 20 30 CFEDHN CN(Cc1ccc(F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598583891 350285594 /nfs/dbraw/zinc/28/55/94/350285594.db2.gz GORYJSRHZJRRKV-CQSZACIVSA-N 0 3 264.344 2.558 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccsc1 ZINC000598621933 350295574 /nfs/dbraw/zinc/29/55/74/350295574.db2.gz WWNCEQGPVHVFTP-PWSUYJOCSA-N 0 3 252.383 2.699 20 30 CFEDHN Cc1ccccc1C1(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598624927 350296334 /nfs/dbraw/zinc/29/63/34/350296334.db2.gz LTZQHAGUAGFNOC-CQSZACIVSA-N 0 3 272.392 2.875 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000598624294 350296591 /nfs/dbraw/zinc/29/65/91/350296591.db2.gz ZUQJWYKDQXONFE-INIZCTEOSA-N 0 3 297.402 2.828 20 30 CFEDHN CC1(C)CN(Cc2ccccc2)C(C)(C)CN1CC#N ZINC000598649814 350302158 /nfs/dbraw/zinc/30/21/58/350302158.db2.gz HDQFUYAQKQUVCJ-UHFFFAOYSA-N 0 3 271.408 2.885 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)s1 ZINC000598701504 350312795 /nfs/dbraw/zinc/31/27/95/350312795.db2.gz WCMMUSSQMDUZIG-SECBINFHSA-N 0 3 272.801 2.792 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1nc2ccccc2s1 ZINC000598703867 350313281 /nfs/dbraw/zinc/31/32/81/350313281.db2.gz JRLPGKFODFHLOR-LLVKDONJSA-N 0 3 289.404 2.687 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715861 350316643 /nfs/dbraw/zinc/31/66/43/350316643.db2.gz UHHQVEPRVBBYCE-RYUDHWBXSA-N 0 3 286.379 2.514 20 30 CFEDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)CC(C)(C)C#N)o1 ZINC000598721720 350318418 /nfs/dbraw/zinc/31/84/18/350318418.db2.gz YQGUNWLLIJKVBF-BZPMIXESSA-N 0 3 276.380 2.793 20 30 CFEDHN CCN(Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598584455 350286072 /nfs/dbraw/zinc/28/60/72/350286072.db2.gz MINPAPZSZUHIAK-LBPRGKRZSA-N 0 3 266.410 2.871 20 30 CFEDHN Cc1cccc(CN(C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598586370 350286455 /nfs/dbraw/zinc/28/64/55/350286455.db2.gz RQEGSVRLAWBLMX-OAHLLOKOSA-N 0 3 260.381 2.728 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccncc1 ZINC000598598141 350289958 /nfs/dbraw/zinc/28/99/58/350289958.db2.gz ATIKVFQXPGIBAG-GJZGRUSLSA-N 0 3 273.380 2.519 20 30 CFEDHN CC(C)(C)C1=CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598598254 350290207 /nfs/dbraw/zinc/29/02/07/350290207.db2.gz BZGUYWSNPAWARU-CQSZACIVSA-N 0 3 264.413 2.965 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000598599790 350290878 /nfs/dbraw/zinc/29/08/78/350290878.db2.gz FIYMTVAZNXFICS-SMDDNHRTSA-N 0 3 291.351 2.546 20 30 CFEDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598604383 350291909 /nfs/dbraw/zinc/29/19/09/350291909.db2.gz MIZHNENYPBHXRF-KBMXLJTQSA-N 0 3 287.407 2.765 20 30 CFEDHN C=CCNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598955358 350348828 /nfs/dbraw/zinc/34/88/28/350348828.db2.gz IBSWVTKOGZLDEG-UHFFFAOYSA-N 0 3 253.367 2.979 20 30 CFEDHN CCC[C@H](CNCc1cc(C#N)cs1)OCC ZINC000598989760 350355173 /nfs/dbraw/zinc/35/51/73/350355173.db2.gz SXBGKBRAZZBGKF-GFCCVEGCSA-N 0 3 252.383 2.915 20 30 CFEDHN C/C=C/CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000599005799 350358144 /nfs/dbraw/zinc/35/81/44/350358144.db2.gz UFSRHONLNWLEJG-NSCUHMNNSA-N 0 3 281.363 2.524 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599421432 350433499 /nfs/dbraw/zinc/43/34/99/350433499.db2.gz MWCKADQSVJYOJB-KRWDZBQOSA-N 0 3 272.392 2.851 20 30 CFEDHN Cc1ccc(CN2CCN(c3ccncc3)CC2)cc1C#N ZINC000599313427 350412429 /nfs/dbraw/zinc/41/24/29/350412429.db2.gz YFSLYNMSNXGKBD-UHFFFAOYSA-N 0 3 292.386 2.584 20 30 CFEDHN CCC[C@H](C)CCCN1CCN(CCC#N)CC1 ZINC000599336454 350417561 /nfs/dbraw/zinc/41/75/61/350417561.db2.gz KYAYJGIBGWLBRZ-HNNXBMFYSA-N 0 3 251.418 2.734 20 30 CFEDHN COc1ccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1F ZINC000599349995 350420603 /nfs/dbraw/zinc/42/06/03/350420603.db2.gz QUBSZFKJMIIVPZ-YPMHNXCESA-N 0 3 292.354 2.540 20 30 CFEDHN Cc1ccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)cc1F ZINC000599354827 350421048 /nfs/dbraw/zinc/42/10/48/350421048.db2.gz RNMWXZOCXFQQAM-TZMCWYRMSA-N 0 3 276.355 2.840 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599360495 350423438 /nfs/dbraw/zinc/42/34/38/350423438.db2.gz BNKKTVFCGUMIIP-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599380342 350427159 /nfs/dbraw/zinc/42/71/59/350427159.db2.gz ZYEVMNKIQRCNHM-KRWDZBQOSA-N 0 3 272.392 2.851 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000599385544 350428865 /nfs/dbraw/zinc/42/88/65/350428865.db2.gz RKODRRCYFHFVLI-ZIAGYGMSSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000599393849 350430516 /nfs/dbraw/zinc/43/05/16/350430516.db2.gz SPWLRUATWQYKLH-RHSMWYFYSA-N 0 3 272.392 2.992 20 30 CFEDHN Cc1ccc(CN2CCC[C@@](C)(O)CC2)cc1C#N ZINC000599391444 350430713 /nfs/dbraw/zinc/43/07/13/350430713.db2.gz JNUWCTRIRUHJHR-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN CCO[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000599399449 350431903 /nfs/dbraw/zinc/43/19/03/350431903.db2.gz TUGHFODOHDQRAR-INIZCTEOSA-N 0 3 299.418 2.754 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000599526528 350450375 /nfs/dbraw/zinc/45/03/75/350450375.db2.gz OEZIMRBHZNTZSQ-OAHLLOKOSA-N 0 3 289.423 2.569 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585431 350459922 /nfs/dbraw/zinc/45/99/22/350459922.db2.gz YUPKLUGSFYAOGB-LXTVHRRPSA-N 0 3 292.423 2.978 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cc(C#N)ccc1F ZINC000599627619 350467152 /nfs/dbraw/zinc/46/71/52/350467152.db2.gz XZKVDXIVQMOEIA-RSQPEXBXSA-N 0 3 262.328 2.599 20 30 CFEDHN Cc1cccc([C@H](NCC(=O)NC2(C#N)CCC2)C(C)C)c1 ZINC000599628549 350467285 /nfs/dbraw/zinc/46/72/85/350467285.db2.gz ALIPVMAWQLHBIX-QGZVFWFLSA-N 0 3 299.418 2.844 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639055 350470144 /nfs/dbraw/zinc/47/01/44/350470144.db2.gz WXNFLEMEHRVJBA-XOKHGSTOSA-N 0 3 270.376 2.714 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000599650533 350473075 /nfs/dbraw/zinc/47/30/75/350473075.db2.gz HDJYLEKAXOVHFL-ZACQAIPSSA-N 0 3 298.386 2.722 20 30 CFEDHN N#CCCCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599660084 350474754 /nfs/dbraw/zinc/47/47/54/350474754.db2.gz NBVXFJAILPKFSR-UHFFFAOYSA-N 0 3 296.418 2.979 20 30 CFEDHN N#CCc1cccc2c1CCN(CCc1cncs1)C2 ZINC000599679286 350480805 /nfs/dbraw/zinc/48/08/05/350480805.db2.gz XPBUUPAEXDPAHV-UHFFFAOYSA-N 0 3 283.400 2.810 20 30 CFEDHN C=CCN(Cc1c(C)[nH]c(C(=O)OCC)c1C)C1CC1 ZINC000600143224 350519493 /nfs/dbraw/zinc/51/94/93/350519493.db2.gz AGUUEBLKVFJWOL-UHFFFAOYSA-N 0 3 276.380 2.959 20 30 CFEDHN N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)c1 ZINC000107634727 186183249 /nfs/dbraw/zinc/18/32/49/186183249.db2.gz GEHQNLJPLAFACB-QGZVFWFLSA-N 0 3 297.402 2.649 20 30 CFEDHN CC(C)CCO[C@H]1CC[C@H](NC(=O)C(C)C#N)CC1 ZINC000600378288 350551307 /nfs/dbraw/zinc/55/13/07/350551307.db2.gz LCSFGZOJDULKGB-MGPQQGTHSA-N 0 3 266.385 2.636 20 30 CFEDHN CC(F)(F)c1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600740971 350605258 /nfs/dbraw/zinc/60/52/58/350605258.db2.gz YHDAYPLCFHAJCR-AWEZNQCLSA-N 0 3 294.345 2.943 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2ccc(C3CC3)cc2F)CC1 ZINC000600740987 350605274 /nfs/dbraw/zinc/60/52/74/350605274.db2.gz YLMLPEMMUDBFGT-HNNXBMFYSA-N 0 3 288.366 2.847 20 30 CFEDHN CC(C#N)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000600682079 350596718 /nfs/dbraw/zinc/59/67/18/350596718.db2.gz JOUCORIDHDXOTR-LURJTMIESA-N 0 3 262.256 2.543 20 30 CFEDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H](O)CC2(C#N)CC2)o1 ZINC000600716277 350600765 /nfs/dbraw/zinc/60/07/65/350600765.db2.gz JJFKWKVSQGMLPK-MBNYWOFBSA-N 0 3 274.364 2.547 20 30 CFEDHN N#CC1(CNC[C@H](O)CC2CCCC2)CCCCC1 ZINC000600758257 350606425 /nfs/dbraw/zinc/60/64/25/350606425.db2.gz XPNPBTNPEGDNMI-OAHLLOKOSA-N 0 3 264.413 2.991 20 30 CFEDHN C[C@H](C#N)n1cc(-c2cccc(CN(C)C)c2)cn1 ZINC000600777041 350609451 /nfs/dbraw/zinc/60/94/51/350609451.db2.gz RANLUZBQAXSNEF-GFCCVEGCSA-N 0 3 254.337 2.696 20 30 CFEDHN N#CCn1cc(-c2cc(CN3CCCC3)ccc2F)cn1 ZINC000600778748 350609966 /nfs/dbraw/zinc/60/99/66/350609966.db2.gz GXVCNSODJFWXII-UHFFFAOYSA-N 0 3 284.338 2.809 20 30 CFEDHN COc1ccc(-c2ccc(N3CCNCC3)cc2)cc1C#N ZINC000600790296 350612845 /nfs/dbraw/zinc/61/28/45/350612845.db2.gz YHWOEQLSEGTCFV-UHFFFAOYSA-N 0 3 293.370 2.643 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](CCc1ccccc1)C(F)F ZINC000600793810 350613700 /nfs/dbraw/zinc/61/37/00/350613700.db2.gz PJJVAMRTXYVWKV-AAEUAGOBSA-N 0 3 280.318 2.871 20 30 CFEDHN COC[C@H](C)N(C(=O)C(C)C#N)[C@@H]1CCc2ccccc21 ZINC000600792306 350613745 /nfs/dbraw/zinc/61/37/45/350613745.db2.gz KOCAPNHXTOFSFT-HEHGZKQESA-N 0 3 286.375 2.697 20 30 CFEDHN CC(C#N)C(=O)NCc1ccccc1CC(F)(F)F ZINC000600795682 350614091 /nfs/dbraw/zinc/61/40/91/350614091.db2.gz AFUBTEXTTNKDHU-SECBINFHSA-N 0 3 270.254 2.567 20 30 CFEDHN C[C@@H](CNC(=O)c1ccccc1CC#N)N1CCC(C)CC1 ZINC000601020703 350646711 /nfs/dbraw/zinc/64/67/11/350646711.db2.gz ZZUKUPYSSJYWRY-HNNXBMFYSA-N 0 3 299.418 2.603 20 30 CFEDHN Cc1c(C#N)cncc1-c1cccc(OCCN(C)C)c1 ZINC000600946274 350635120 /nfs/dbraw/zinc/63/51/20/350635120.db2.gz RGXSBFVLKGTGGL-UHFFFAOYSA-N 0 3 281.359 2.869 20 30 CFEDHN N#Cc1cnc(NC2CCN(C3CC3)CC2)c2sccc21 ZINC000601100848 350668541 /nfs/dbraw/zinc/66/85/41/350668541.db2.gz CUBRHAGNCUTKAB-UHFFFAOYSA-N 0 3 298.415 2.629 20 30 CFEDHN N#Cc1cnc(N2CC[C@@H](N3CCCC3)C2)c2sccc21 ZINC000601111248 350671593 /nfs/dbraw/zinc/67/15/93/350671593.db2.gz PJBUCQBKKPWISM-CYBMUJFWSA-N 0 3 298.415 2.842 20 30 CFEDHN Cc1nc2ccccc2c(N2CCN(CCC#N)CC2)c1C ZINC000601261537 350711705 /nfs/dbraw/zinc/71/17/05/350711705.db2.gz JDZXJVRASRCUPF-UHFFFAOYSA-N 0 3 294.402 2.887 20 30 CFEDHN C=CCCSCCNCc1cncc(OC)c1C ZINC000601132354 350677377 /nfs/dbraw/zinc/67/73/77/350677377.db2.gz ZCAMMURENWJWCR-UHFFFAOYSA-N 0 3 266.410 2.798 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@H](C)O1 ZINC000601298439 350719069 /nfs/dbraw/zinc/71/90/69/350719069.db2.gz HXZPNYRVBCRMPO-CJTUPEFNSA-N 0 3 256.349 2.701 20 30 CFEDHN CC(C)CCC[C@H](C)N1CCN(CCC#N)CC1 ZINC000601314909 350721573 /nfs/dbraw/zinc/72/15/73/350721573.db2.gz BOMLLHRAHFXMRQ-HNNXBMFYSA-N 0 3 251.418 2.732 20 30 CFEDHN CC(C)C[C@H](C)C[C@H](C)N1CCN(CCC#N)CC1 ZINC000601316060 350722336 /nfs/dbraw/zinc/72/23/36/350722336.db2.gz FZYFWDNKMZPHSL-HOTGVXAUSA-N 0 3 265.445 2.978 20 30 CFEDHN CCN1CCC[C@H]1CNc1c(F)cc(C#N)cc1F ZINC000111141458 186359631 /nfs/dbraw/zinc/35/96/31/186359631.db2.gz NFDVWVKWOSOBIX-NSHDSACASA-N 0 3 265.307 2.733 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCSC1 ZINC000602016802 350832077 /nfs/dbraw/zinc/83/20/77/350832077.db2.gz LXFBPTDTKSGSPT-JTQLQIEISA-N 0 3 250.342 2.540 20 30 CFEDHN COCC1(CCNCc2cccc(F)c2C#N)CCC1 ZINC000602026636 350835192 /nfs/dbraw/zinc/83/51/92/350835192.db2.gz ZGCWRGUQAYFPHK-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN C[C@@H]1CCCCN1CCNCc1cccc(F)c1C#N ZINC000602004053 350828069 /nfs/dbraw/zinc/82/80/69/350828069.db2.gz JYTGPXZKJNKEPD-CYBMUJFWSA-N 0 3 275.371 2.661 20 30 CFEDHN N#Cc1c(F)cccc1CNC1CCSCC1 ZINC000602005703 350828205 /nfs/dbraw/zinc/82/82/05/350828205.db2.gz YXMKCCYFDQRVDZ-UHFFFAOYSA-N 0 3 250.342 2.683 20 30 CFEDHN CCC1(CC)[C@H](N(C)Cc2cccc(C#N)n2)C[C@@H]1OC ZINC000602482337 350901352 /nfs/dbraw/zinc/90/13/52/350901352.db2.gz FLCFRVNLCSCSMZ-CVEARBPZSA-N 0 3 287.407 2.979 20 30 CFEDHN C[C@@H](CCC#N)CNc1cccc(OCCN(C)C)c1 ZINC000602493565 350904680 /nfs/dbraw/zinc/90/46/80/350904680.db2.gz WTWNOZTTXRZQQV-AWEZNQCLSA-N 0 3 275.396 2.979 20 30 CFEDHN COC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)[nH]c1C ZINC000602511403 350910445 /nfs/dbraw/zinc/91/04/45/350910445.db2.gz RACDDSBGSCBHNU-LLVKDONJSA-N 0 3 297.358 2.832 20 30 CFEDHN COC(=O)c1[nH]c(CN[C@H](C)c2ccc(C#N)cc2)cc1C ZINC000602510421 350910488 /nfs/dbraw/zinc/91/04/88/350910488.db2.gz NQEJBYBIUYDZEZ-GFCCVEGCSA-N 0 3 297.358 2.832 20 30 CFEDHN N#Cc1cccc(CNCCCOC2CCCCC2)n1 ZINC000602515420 350910849 /nfs/dbraw/zinc/91/08/49/350910849.db2.gz XUBLTHQTHNHWRO-UHFFFAOYSA-N 0 3 273.380 2.782 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)N(C)c1ccccc1 ZINC000602516342 350911954 /nfs/dbraw/zinc/91/19/54/350911954.db2.gz ZIWZXBDZOMEUMW-AWEZNQCLSA-N 0 3 280.375 2.568 20 30 CFEDHN C[C@@H](COc1cccc(F)c1)NCc1cccc(C#N)n1 ZINC000602517466 350911984 /nfs/dbraw/zinc/91/19/84/350911984.db2.gz CGCUOAXNGWNPCB-LBPRGKRZSA-N 0 3 285.322 2.649 20 30 CFEDHN CC[C@@H](NC[C@H](C)CCC#N)c1nnc2n1CCCCC2 ZINC000602527154 350915186 /nfs/dbraw/zinc/91/51/86/350915186.db2.gz LRDPOPSUJVCWQA-ZIAGYGMSSA-N 0 3 289.427 2.985 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000602546769 350920107 /nfs/dbraw/zinc/92/01/07/350920107.db2.gz KVPRVQYZEVWVCI-WMLDXEAASA-N 0 3 263.344 2.674 20 30 CFEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000602553309 350921718 /nfs/dbraw/zinc/92/17/18/350921718.db2.gz CRYOWUBEGJYAEO-UKRRQHHQSA-N 0 3 279.428 2.682 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCc3ccccc3C2)n1 ZINC000602553984 350922602 /nfs/dbraw/zinc/92/26/02/350922602.db2.gz YGIODISBXKKWPG-AWEZNQCLSA-N 0 3 277.371 2.848 20 30 CFEDHN COc1ccc(O[C@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602559941 350924403 /nfs/dbraw/zinc/92/44/03/350924403.db2.gz KNNWIMCOQUELOL-CYBMUJFWSA-N 0 3 297.358 2.519 20 30 CFEDHN COc1cccc(O[C@H](C)CNCc2cccc(C#N)n2)c1 ZINC000602572832 350928944 /nfs/dbraw/zinc/92/89/44/350928944.db2.gz YJMBZXPJJFLTSW-CYBMUJFWSA-N 0 3 297.358 2.519 20 30 CFEDHN C/C=C\C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000602577154 350930881 /nfs/dbraw/zinc/93/08/81/350930881.db2.gz TXQNYNTURPTUGQ-OKYAQOQYSA-N 0 3 277.412 2.602 20 30 CFEDHN C=CCCC[C@@H](C)NCc1cc(C(=O)OCC)no1 ZINC000602582223 350934372 /nfs/dbraw/zinc/93/43/72/350934372.db2.gz PQVGOTRCNUHSHZ-LLVKDONJSA-N 0 3 266.341 2.686 20 30 CFEDHN CCOc1ccc(NC(=O)CNC[C@@H](C)CCC#N)cc1 ZINC000602584993 350935142 /nfs/dbraw/zinc/93/51/42/350935142.db2.gz ALTQBAVEVYUWJX-ZDUSSCGKSA-N 0 3 289.379 2.553 20 30 CFEDHN COc1cc(C)cc(NC(=O)[C@H](N)CCCCC#N)c1C ZINC000602603394 350941869 /nfs/dbraw/zinc/94/18/69/350941869.db2.gz ROJUPTMLBSFVHH-CYBMUJFWSA-N 0 3 289.379 2.662 20 30 CFEDHN COC(=O)c1cc(CN(C)C[C@@H](C)CCC#N)oc1C ZINC000602432124 350879793 /nfs/dbraw/zinc/87/97/93/350879793.db2.gz VSPRVUJGOGLFNO-NSHDSACASA-N 0 3 278.352 2.746 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(Cc2ccsc2)CC1 ZINC000602437793 350882646 /nfs/dbraw/zinc/88/26/46/350882646.db2.gz XZGKTBFUFYWSMS-CQSZACIVSA-N 0 3 277.437 2.806 20 30 CFEDHN N#Cc1ccc(CN(Cc2ccc(=O)[nH]c2)C2CC2)cc1 ZINC000602441509 350885422 /nfs/dbraw/zinc/88/54/22/350885422.db2.gz NWTMXSLCEGVACS-UHFFFAOYSA-N 0 3 279.343 2.823 20 30 CFEDHN COc1ccc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)cc1 ZINC000602468225 350893394 /nfs/dbraw/zinc/89/33/94/350893394.db2.gz ZFTWIKQUSFSNJW-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN C[C@H](CCC#N)CN(C)Cc1nc2ccccc2n1C ZINC000602473725 350896054 /nfs/dbraw/zinc/89/60/54/350896054.db2.gz OVDJZLJWWYAHST-CYBMUJFWSA-N 0 3 270.380 2.945 20 30 CFEDHN CCC[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)OC ZINC000602641994 350958332 /nfs/dbraw/zinc/95/83/32/350958332.db2.gz WVIMJTNENWWYGJ-GOEBONIOSA-N 0 3 258.365 2.950 20 30 CFEDHN CO[C@](C)(CN1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000602651555 350961748 /nfs/dbraw/zinc/96/17/48/350961748.db2.gz JJEUFEUAMSTCOK-QGZVFWFLSA-N 0 3 299.418 2.754 20 30 CFEDHN N#CC1(CNC[C@H]2CCN(c3ccccc3)C2)CCC1 ZINC000602695623 350983851 /nfs/dbraw/zinc/98/38/51/350983851.db2.gz BHCJITHNPUVTDU-OAHLLOKOSA-N 0 3 269.392 2.796 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCC[C@@H]2C2CC2)n1 ZINC000602696477 350983909 /nfs/dbraw/zinc/98/39/09/350983909.db2.gz PVCMFMUDSYQSRL-CZUORRHYSA-N 0 3 255.365 2.869 20 30 CFEDHN CCCN(Cc1cccc(F)c1C#N)[C@H]1CCN(C)C1 ZINC000602697757 350984533 /nfs/dbraw/zinc/98/45/33/350984533.db2.gz AEADYQNABYRDMX-AWEZNQCLSA-N 0 3 275.371 2.613 20 30 CFEDHN C[C@@H](CCC#N)CN1C[C@@H](C)OC2(CCCC2)C1 ZINC000602703610 350988653 /nfs/dbraw/zinc/98/86/53/350988653.db2.gz RBNPBNAHYFOVOU-UONOGXRCSA-N 0 3 250.386 2.960 20 30 CFEDHN Cc1cnc(OC2CCN(C[C@H](C)CCC#N)CC2)nc1 ZINC000602705718 350989910 /nfs/dbraw/zinc/98/99/10/350989910.db2.gz OQFNFMYEPLQJQW-CYBMUJFWSA-N 0 3 288.395 2.568 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)n1)C1CCC(F)CC1 ZINC000602712179 350993843 /nfs/dbraw/zinc/99/38/43/350993843.db2.gz BAOWOLMNPIGXOA-PNESKVBLSA-N 0 3 261.344 2.960 20 30 CFEDHN COc1ccc2c(c1)CCN(C[C@H](C)CCC#N)C2 ZINC000602712021 350993875 /nfs/dbraw/zinc/99/38/75/350993875.db2.gz UYSYAHBKUJZCCR-CYBMUJFWSA-N 0 3 258.365 2.993 20 30 CFEDHN C=CCC1(NCc2cc(C(=O)OCC)no2)CCCC1 ZINC000602716023 350996669 /nfs/dbraw/zinc/99/66/69/350996669.db2.gz IETAZDBRYVDQDI-UHFFFAOYSA-N 0 3 278.352 2.830 20 30 CFEDHN CO[C@](C)(CNCC1(C#N)CCCCC1)C1CC1 ZINC000602718770 350998936 /nfs/dbraw/zinc/99/89/36/350998936.db2.gz LCSYIVISESHQKR-CQSZACIVSA-N 0 3 250.386 2.865 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C)c(C(=O)OC)[nH]2)C1 ZINC000602721782 350999898 /nfs/dbraw/zinc/99/98/98/350999898.db2.gz VKJBAAJPNPLMTR-GFCCVEGCSA-N 0 3 262.353 2.508 20 30 CFEDHN Cc1ncccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602725256 351001404 /nfs/dbraw/zinc/00/14/04/351001404.db2.gz KSPKJVGIWIYIGJ-ZDUSSCGKSA-N 0 3 273.380 2.579 20 30 CFEDHN Cc1cc(C2(NC[C@@H](C)CCC#N)CCOCC2)on1 ZINC000602731718 351005058 /nfs/dbraw/zinc/00/50/58/351005058.db2.gz XLRODQPBVVUGOP-LBPRGKRZSA-N 0 3 277.368 2.518 20 30 CFEDHN CC[C@@H](CC#N)NC[C@H]1CCN(c2ccccc2)C1 ZINC000602612732 350946309 /nfs/dbraw/zinc/94/63/09/350946309.db2.gz QBKOWNQXRAXCTH-CABCVRRESA-N 0 3 257.381 2.795 20 30 CFEDHN C[C@H](CCC#N)CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000602633159 350954366 /nfs/dbraw/zinc/95/43/66/350954366.db2.gz LLTZZVCQGHTVSO-UTUOFQBUSA-N 0 3 278.318 2.561 20 30 CFEDHN CCC[C@]1(COC)CCCN1Cc1cccc(C#N)n1 ZINC000602635599 350955310 /nfs/dbraw/zinc/95/53/10/350955310.db2.gz ABPYXNWDIPWKBM-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CC(C)(C)CO1 ZINC000602761028 351016044 /nfs/dbraw/zinc/01/60/44/351016044.db2.gz UCFMAFXUDKOCRI-OAHLLOKOSA-N 0 3 258.365 2.805 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCc2ncnn21 ZINC000602767781 351018457 /nfs/dbraw/zinc/01/84/57/351018457.db2.gz GFBYSVDGHLULRH-INIZCTEOSA-N 0 3 295.390 2.548 20 30 CFEDHN CC(C)[C@@H](C)NC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602770383 351019107 /nfs/dbraw/zinc/01/91/07/351019107.db2.gz RMOHUOKYJAEIQK-CQSZACIVSA-N 0 3 291.439 2.553 20 30 CFEDHN N#CCC1(CN2CCC[C@@H](c3nnc4ccccn43)C2)CC1 ZINC000602777587 351021135 /nfs/dbraw/zinc/02/11/35/351021135.db2.gz GVSVSXAQMKMKFD-CQSZACIVSA-N 0 3 295.390 2.603 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602780139 351022354 /nfs/dbraw/zinc/02/23/54/351022354.db2.gz PCHVVCWSPPAPJM-STQMWFEESA-N 0 3 250.386 2.816 20 30 CFEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602787380 351024926 /nfs/dbraw/zinc/02/49/26/351024926.db2.gz RCSQXHWPEXWLPL-CQSZACIVSA-N 0 3 291.439 2.555 20 30 CFEDHN CCN(CC)C(=O)C1(NCC2(CC#N)CC2)CCCCC1 ZINC000602789996 351026196 /nfs/dbraw/zinc/02/61/96/351026196.db2.gz DHUCZMWBFUPJCN-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN N#CCC1(CNC2(c3ccccc3)CCOCC2)CC1 ZINC000602790339 351027199 /nfs/dbraw/zinc/02/71/99/351027199.db2.gz IJZQPNHYVCHKGX-UHFFFAOYSA-N 0 3 270.376 2.976 20 30 CFEDHN CCCCNC(=O)C1(NCC2(CC#N)CC2)CCCCC1 ZINC000602794512 351028250 /nfs/dbraw/zinc/02/82/50/351028250.db2.gz HFIZHIVGDRZNFF-UHFFFAOYSA-N 0 3 291.439 2.889 20 30 CFEDHN COC(=O)C(C)(C)[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602797212 351029571 /nfs/dbraw/zinc/02/95/71/351029571.db2.gz IVUWSCSIRSHFTE-ZDUSSCGKSA-N 0 3 278.396 2.591 20 30 CFEDHN N#CCC1(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000602839554 351041642 /nfs/dbraw/zinc/04/16/42/351041642.db2.gz VDUNBQXFBMGKMY-KBPBESRZSA-N 0 3 260.381 2.714 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc[nH]c(=O)c1 ZINC000602847624 351043912 /nfs/dbraw/zinc/04/39/12/351043912.db2.gz SZKYRMINZXQZKV-LBPRGKRZSA-N 0 3 267.332 2.852 20 30 CFEDHN C[C@H]1CN(CCCCC2CCOCC2)C[C@H](C)N1CC#N ZINC000602854378 351046198 /nfs/dbraw/zinc/04/61/98/351046198.db2.gz OKOLHGWRAWICJZ-HOTGVXAUSA-N 0 3 293.455 2.501 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2cccc3c2CCOC3)C1 ZINC000602884716 351058472 /nfs/dbraw/zinc/05/84/72/351058472.db2.gz SEHHEKIQGYYEDT-AWEZNQCLSA-N 0 3 270.376 2.885 20 30 CFEDHN CC[C@@H]1CCC[C@@H](CN2CCN(CCC#N)CC2)C1 ZINC000602748737 351012672 /nfs/dbraw/zinc/01/26/72/351012672.db2.gz RHDDKTWGEZPILN-HZPDHXFCSA-N 0 3 263.429 2.734 20 30 CFEDHN N#C[C@@H](c1ccccc1)n1cc(CNC2CCCCC2)nn1 ZINC000603220170 351120103 /nfs/dbraw/zinc/12/01/03/351120103.db2.gz DBQNVKRKIHNBON-KRWDZBQOSA-N 0 3 295.390 2.813 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)n1cc(CNC2CCCC2)nn1 ZINC000603227675 351121775 /nfs/dbraw/zinc/12/17/75/351121775.db2.gz NSYSVLBBWDZGTK-CYBMUJFWSA-N 0 3 295.390 2.791 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000603231744 351123308 /nfs/dbraw/zinc/12/33/08/351123308.db2.gz BTIZGHALUPWCLK-NHYWBVRUSA-N 0 3 283.379 2.805 20 30 CFEDHN N#CCCCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923273 351068152 /nfs/dbraw/zinc/06/81/52/351068152.db2.gz CRXBSYJZCGYHTA-ZDUSSCGKSA-N 0 3 270.735 2.796 20 30 CFEDHN CC(C)[C@H](N)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603242982 351124480 /nfs/dbraw/zinc/12/44/80/351124480.db2.gz LCPHWOLVGVTUAX-AWEZNQCLSA-N 0 3 289.770 2.507 20 30 CFEDHN CN(CCCN(C)[C@H]1CCC[C@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602981022 351082797 /nfs/dbraw/zinc/08/27/97/351082797.db2.gz YRGHMWOTBZLOOM-WNKDZCFJSA-N 0 3 288.439 2.625 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602997880 351089307 /nfs/dbraw/zinc/08/93/07/351089307.db2.gz SMLLWJFSMISKAC-IKGGRYGDSA-N 0 3 270.376 2.684 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000603433871 351163960 /nfs/dbraw/zinc/16/39/60/351163960.db2.gz WXBFASCUXQPUFA-CQSZACIVSA-N 0 3 290.363 2.582 20 30 CFEDHN COCc1cc(C#N)ccc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000603310791 351136742 /nfs/dbraw/zinc/13/67/42/351136742.db2.gz QTDPLATVJBGEJR-DOMZBBRYSA-N 0 3 285.391 2.742 20 30 CFEDHN C=CCCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000606897025 351300889 /nfs/dbraw/zinc/30/08/89/351300889.db2.gz GRJJTQGDYVRDHE-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN C=C(C)COc1cc(CN(C)C2(CO)CC2)ccc1OC ZINC000668801485 539813726 /nfs/dbraw/zinc/81/37/26/539813726.db2.gz STHYSIXTKBAPKN-UHFFFAOYSA-N 0 3 291.391 2.607 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C2CCCC1CCC2 ZINC000608499436 351445319 /nfs/dbraw/zinc/44/53/19/351445319.db2.gz KAYISUJRGOTXJR-UHFFFAOYSA-N 0 3 264.413 2.818 20 30 CFEDHN N#CCN1CCC(NCc2c(F)cccc2Cl)CC1 ZINC000609335228 351497435 /nfs/dbraw/zinc/49/74/35/351497435.db2.gz YPLURPHOCNYPPT-UHFFFAOYSA-N 0 3 281.762 2.557 20 30 CFEDHN COc1ccc2[nH]cc(CCNC[C@H](C#N)CCC#N)c2c1 ZINC000609598617 351510965 /nfs/dbraw/zinc/51/09/65/351510965.db2.gz XELUICDFHSJTIS-ZDUSSCGKSA-N 0 3 296.374 2.752 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CCO)CC1 ZINC000609823435 351521865 /nfs/dbraw/zinc/52/18/65/351521865.db2.gz DICNCNYSLIHZBW-CYBMUJFWSA-N 0 3 258.365 2.714 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000610813484 351611673 /nfs/dbraw/zinc/61/16/73/351611673.db2.gz IMWOTQJVWAQXJX-CQSZACIVSA-N 0 3 287.407 2.642 20 30 CFEDHN CC(C)N1CCC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000610488989 351569906 /nfs/dbraw/zinc/56/99/06/351569906.db2.gz KRSPBEFMXACTEZ-BBRMVZONSA-N 0 3 285.391 2.608 20 30 CFEDHN N#Cc1cccc(OC2CCN([C@@H]3CCCOC3)CC2)c1 ZINC000610570010 351582261 /nfs/dbraw/zinc/58/22/61/351582261.db2.gz OPUAPURJFCJAED-OAHLLOKOSA-N 0 3 286.375 2.580 20 30 CFEDHN CC(C)[C@@H]1c2ccccc2CCN1C(=O)C(C)C#N ZINC000610792086 351609756 /nfs/dbraw/zinc/60/97/56/351609756.db2.gz LFRIEHBUPXMRKB-SWLSCSKDSA-N 0 3 256.349 2.928 20 30 CFEDHN CC[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000610389445 351560797 /nfs/dbraw/zinc/56/07/97/351560797.db2.gz AKUPGOQROOUZTK-XJKSGUPXSA-N 0 3 287.407 2.856 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccnc(C#N)c2)C1 ZINC000610994968 351632480 /nfs/dbraw/zinc/63/24/80/351632480.db2.gz OZSPDPVHIBBIQU-GUYCJALGSA-N 0 3 287.407 2.620 20 30 CFEDHN CCN(CC#CCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000611140468 351644175 /nfs/dbraw/zinc/64/41/75/351644175.db2.gz ZILJBYABYNKQPX-CQSZACIVSA-N 0 3 256.349 2.591 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN(CCCO)C1CC1 ZINC000610859514 351615453 /nfs/dbraw/zinc/61/54/53/351615453.db2.gz DZTCIUYEJMFSMD-UHFFFAOYSA-N 0 3 272.392 2.835 20 30 CFEDHN CO[C@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000610959403 351625344 /nfs/dbraw/zinc/62/53/44/351625344.db2.gz WZZSKSDBFUUGOP-KBPBESRZSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccnc(C#N)c1 ZINC000610993943 351631246 /nfs/dbraw/zinc/63/12/46/351631246.db2.gz IJMPKXNDORYBAM-CYBMUJFWSA-N 0 3 281.359 2.722 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000610994517 351631737 /nfs/dbraw/zinc/63/17/37/351631737.db2.gz SGNWSOSDCXCXCS-JKSUJKDBSA-N 0 3 285.391 2.733 20 30 CFEDHN C[C@@H](CN1CCCC1=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391097 351680102 /nfs/dbraw/zinc/68/01/02/351680102.db2.gz SFHMMGCVMJXRQF-GUYCJALGSA-N 0 3 297.402 2.536 20 30 CFEDHN N#Cc1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)ccn1 ZINC000611395634 351682035 /nfs/dbraw/zinc/68/20/35/351682035.db2.gz LJOWZFCKVSQNDP-AEFFLSMTSA-N 0 3 293.370 2.821 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](CO)CC(F)(F)F ZINC000611394535 351682511 /nfs/dbraw/zinc/68/25/11/351682511.db2.gz PEDDVPHDHOHXSI-OCCSQVGLSA-N 0 3 298.308 2.839 20 30 CFEDHN COc1ccc2c(c1)CC[C@H](NCc1ccc(C#N)o1)C2 ZINC000612194044 351787064 /nfs/dbraw/zinc/78/70/64/351787064.db2.gz PSZVJHKWABIULL-AWEZNQCLSA-N 0 3 282.343 2.807 20 30 CFEDHN COc1ccc2c(c1)CC[C@@H](NC[C@@H](C#N)CCC#N)C2 ZINC000612049426 351765936 /nfs/dbraw/zinc/76/59/36/351765936.db2.gz OBMLSWBOCJKSLT-CZUORRHYSA-N 0 3 283.375 2.586 20 30 CFEDHN C[C@H](NCc1ccnc(C#N)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000612530828 351831707 /nfs/dbraw/zinc/83/17/07/351831707.db2.gz OJQHLMBGFRSNJJ-FHSNZYRGSA-N 0 3 293.370 2.996 20 30 CFEDHN C=CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000271447931 191142872 /nfs/dbraw/zinc/14/28/72/191142872.db2.gz NMTIQVMFIOQXOC-MRXNPFEDSA-N 0 3 299.418 2.621 20 30 CFEDHN C[C@@H]1C[C@H](Nc2cccc(F)c2C#N)CN1C1CC1 ZINC000122266409 187023555 /nfs/dbraw/zinc/02/35/55/187023555.db2.gz IQYQUEPANWOVED-MNOVXSKESA-N 0 3 259.328 2.734 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc(F)cc2C#N)CN1C1CC1 ZINC000123033063 187067408 /nfs/dbraw/zinc/06/74/08/187067408.db2.gz KGHQRMYLDVKJHP-MFKMUULPSA-N 0 3 259.328 2.734 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000123814164 187109660 /nfs/dbraw/zinc/10/96/60/187109660.db2.gz HKAGOFIFRPRVBU-DOMZBBRYSA-N 0 3 276.355 2.823 20 30 CFEDHN CN(CCN1CCCC1)c1nc(C(C)(C)C)ccc1C#N ZINC000613420424 351955893 /nfs/dbraw/zinc/95/58/93/351955893.db2.gz UPMPNOZXMAEOKE-UHFFFAOYSA-N 0 3 286.423 2.783 20 30 CFEDHN CCc1ccc([C@@H](CNc2ccncc2C#N)N(C)C)cc1 ZINC000613535024 351976359 /nfs/dbraw/zinc/97/63/59/351976359.db2.gz LOGLZSAQBLLHNZ-GOSISDBHSA-N 0 3 294.402 2.652 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000614159729 352054246 /nfs/dbraw/zinc/05/42/46/352054246.db2.gz PTDCJLSVJKDYJC-UHFFFAOYSA-N 0 3 272.392 2.692 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000614397421 352089426 /nfs/dbraw/zinc/08/94/26/352089426.db2.gz SDUWIKUNVYPSIC-QGZVFWFLSA-N 0 3 280.375 2.900 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(NC(=O)C(C)C)CC1 ZINC000614397693 352089755 /nfs/dbraw/zinc/08/97/55/352089755.db2.gz PNGGMSQOOXKPLR-UHFFFAOYSA-N 0 3 299.418 2.603 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@H](C(F)F)C1 ZINC000614403373 352089979 /nfs/dbraw/zinc/08/99/79/352089979.db2.gz VVVUEPFHXGMDQM-ZDUSSCGKSA-N 0 3 250.292 2.954 20 30 CFEDHN CC1(C)[C@H](O)C[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000614637286 352108421 /nfs/dbraw/zinc/10/84/21/352108421.db2.gz BKBXJLAVLSEAGO-ARFHVFGLSA-N 0 3 270.376 2.685 20 30 CFEDHN C=CCOCCNCc1cccc(OC(F)(F)F)c1 ZINC000311562117 539845413 /nfs/dbraw/zinc/84/54/13/539845413.db2.gz OOUHYFILAQMCHJ-UHFFFAOYSA-N 0 3 275.270 2.877 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000616775556 352429054 /nfs/dbraw/zinc/42/90/54/352429054.db2.gz CNNZUHGHEGRKSV-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617009351 352463818 /nfs/dbraw/zinc/46/38/18/352463818.db2.gz XJDJYMKZCFMVAQ-SWLSCSKDSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617011282 352463832 /nfs/dbraw/zinc/46/38/32/352463832.db2.gz BCRPJCGTEKKSAQ-CQSZACIVSA-N 0 3 264.413 2.744 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617344204 352545780 /nfs/dbraw/zinc/54/57/80/352545780.db2.gz CSGQCASDLGUEPH-WFASDCNBSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000617614764 352604304 /nfs/dbraw/zinc/60/43/04/352604304.db2.gz MWVXQCBKPQDWBO-OAHLLOKOSA-N 0 3 290.382 2.730 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)c1ccco1 ZINC000135668548 187847543 /nfs/dbraw/zinc/84/75/43/187847543.db2.gz SAUIBRXFNCOUHV-ZDUSSCGKSA-N 0 3 275.377 2.605 20 30 CFEDHN CC[C@@H](NCCOC[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000618568455 352812245 /nfs/dbraw/zinc/81/22/45/352812245.db2.gz UOSSHUYVOJQXRA-NVXWUHKLSA-N 0 3 288.391 2.652 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618573874 352815624 /nfs/dbraw/zinc/81/56/24/352815624.db2.gz IGOSYYBJFXIKLS-HNNXBMFYSA-N 0 3 276.336 2.764 20 30 CFEDHN Cc1ccc(O)c(CN[C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000618741424 352876202 /nfs/dbraw/zinc/87/62/02/352876202.db2.gz GEJLICKLDRWVAN-OAHLLOKOSA-N 0 3 279.343 2.744 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618893792 352906988 /nfs/dbraw/zinc/90/69/88/352906988.db2.gz ZZZIIJAOJBURSW-DLBZAZTESA-N 0 3 297.402 2.536 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618985260 352926994 /nfs/dbraw/zinc/92/69/94/352926994.db2.gz FTQJBHPEUTWJCF-ZBFHGGJFSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618986321 352928041 /nfs/dbraw/zinc/92/80/41/352928041.db2.gz YEDGRQWWQJGSHZ-LSDHHAIUSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC000619108388 352955501 /nfs/dbraw/zinc/95/55/01/352955501.db2.gz UGJYAHHODJVPAG-KBPBESRZSA-N 0 3 264.413 2.864 20 30 CFEDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(C#N)c1 ZINC000619785411 353066507 /nfs/dbraw/zinc/06/65/07/353066507.db2.gz IXLLTLZMCWRPSI-UHFFFAOYSA-N 0 3 296.330 2.536 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1C ZINC000619781553 353066778 /nfs/dbraw/zinc/06/67/78/353066778.db2.gz KRBHVXNQICCHLP-QWHCGFSZSA-N 0 3 274.364 2.544 20 30 CFEDHN C[C@H]1CCN(CCCC2(C#N)CCOCC2)C[C@H]1F ZINC000619621213 353041075 /nfs/dbraw/zinc/04/10/75/353041075.db2.gz NURHMGITUGHBNE-UONOGXRCSA-N 0 3 268.376 2.767 20 30 CFEDHN Cn1ccnc1C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000619672830 353047668 /nfs/dbraw/zinc/04/76/68/353047668.db2.gz KNKRGGXMRFPORY-OIISXLGYSA-N 0 3 294.402 2.986 20 30 CFEDHN Cc1nc(N(C)[C@H]2CCN(C)[C@H](C)C2)c(Cl)cc1C#N ZINC000292350381 198254213 /nfs/dbraw/zinc/25/42/13/198254213.db2.gz BWUORYJGXWTYEN-MFKMUULPSA-N 0 3 292.814 2.834 20 30 CFEDHN C=CCn1c(C)nnc1SCCN1CCC(C)CC1 ZINC000154203093 188129506 /nfs/dbraw/zinc/12/95/06/188129506.db2.gz LKIHFKPJFABLRL-UHFFFAOYSA-N 0 3 280.441 2.597 20 30 CFEDHN C=CCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000154762622 188160742 /nfs/dbraw/zinc/16/07/42/188160742.db2.gz AMTQYLARJIRKTQ-UHFFFAOYSA-N 0 3 286.335 2.613 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157896110 188345112 /nfs/dbraw/zinc/34/51/12/188345112.db2.gz NYLZBGUOTSVOSV-JSGCOSHPSA-N 0 3 279.428 2.924 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC)c(OC2CC2)c1 ZINC000623542272 353668501 /nfs/dbraw/zinc/66/85/01/353668501.db2.gz UFRBAFJSUPUPNX-CQSZACIVSA-N 0 3 291.391 2.653 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000623610497 353685977 /nfs/dbraw/zinc/68/59/77/353685977.db2.gz UOCGGPIAGJYIEE-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000623491318 353655967 /nfs/dbraw/zinc/65/59/67/353655967.db2.gz ODTVPJXGFJHGKU-VIFPVBQESA-N 0 3 265.300 2.794 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000623721285 353711705 /nfs/dbraw/zinc/71/17/05/353711705.db2.gz SEYKAXLWRCEMJH-HZPDHXFCSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1cccc(C(C)C)c1 ZINC000623946081 353767155 /nfs/dbraw/zinc/76/71/55/353767155.db2.gz MXGXIMZPDOHIAI-CYBMUJFWSA-N 0 3 260.381 2.763 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000623948989 353767853 /nfs/dbraw/zinc/76/78/53/353767853.db2.gz CSNQOYHLTZMUJG-GDBMZVCRSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NCC(C)(C)C ZINC000625183975 353989760 /nfs/dbraw/zinc/98/97/60/353989760.db2.gz BTZFIGRXGUQANH-UHFFFAOYSA-N 0 3 254.418 2.827 20 30 CFEDHN C=CCC[C@H](NCCN1CCCC1=O)c1ccccc1 ZINC000271722519 191291610 /nfs/dbraw/zinc/29/16/10/191291610.db2.gz LZPKHVZRPMLLAD-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN C=C(C)[C@H](NCCc1cn(C)nn1)c1ccc(F)c(F)c1 ZINC000625339917 354028320 /nfs/dbraw/zinc/02/83/20/354028320.db2.gz LDFATVBSFSQNNC-HNNXBMFYSA-N 0 3 292.333 2.543 20 30 CFEDHN C=C(C)[C@@H](NCCc1cn(C)nn1)c1ccc(F)c(F)c1 ZINC000625339919 354028361 /nfs/dbraw/zinc/02/83/61/354028361.db2.gz LDFATVBSFSQNNC-OAHLLOKOSA-N 0 3 292.333 2.543 20 30 CFEDHN C#Cc1ccc(NC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000934917991 649851337 /nfs/dbraw/zinc/85/13/37/649851337.db2.gz GTSRQBGBKMVEPF-QGZVFWFLSA-N 0 3 297.402 2.806 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cncc(OC)n1 ZINC000625529741 354065398 /nfs/dbraw/zinc/06/53/98/354065398.db2.gz SMBYTXOWQHMRFX-JSGCOSHPSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N2CCCC[C@H]2CC)C1 ZINC000625699509 354088002 /nfs/dbraw/zinc/08/80/02/354088002.db2.gz FQCKSZIFEUVITF-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000625702804 354090192 /nfs/dbraw/zinc/09/01/92/354090192.db2.gz WZFOQIVIROQGJC-AWEZNQCLSA-N 0 3 290.382 2.648 20 30 CFEDHN C=CC[C@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000625705061 354091380 /nfs/dbraw/zinc/09/13/80/354091380.db2.gz RBMWXDROUGLJCG-ZDUSSCGKSA-N 0 3 255.365 2.971 20 30 CFEDHN C=CCC1(NCC(=O)Nc2nccs2)CCCCC1 ZINC000625935710 354148683 /nfs/dbraw/zinc/14/86/83/354148683.db2.gz KIZOJNQFTJOAQB-UHFFFAOYSA-N 0 3 279.409 2.950 20 30 CFEDHN C=CCC1(NCc2nnnn2CCCC)CCCCC1 ZINC000625937707 354149347 /nfs/dbraw/zinc/14/93/47/354149347.db2.gz OTNFUFGDYHBOOY-UHFFFAOYSA-N 0 3 277.416 2.842 20 30 CFEDHN C=C(CN[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000271728028 191293418 /nfs/dbraw/zinc/29/34/18/191293418.db2.gz RQNJCOGSHHVCMP-HOTGVXAUSA-N 0 3 293.432 2.645 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626126232 354203525 /nfs/dbraw/zinc/20/35/25/354203525.db2.gz KEHVCQNYACWYFZ-HIFRSBDPSA-N 0 3 279.355 2.561 20 30 CFEDHN C=CCCOCCCCC(=O)N(CC)C1CCN(C)CC1 ZINC000627617821 354382491 /nfs/dbraw/zinc/38/24/91/354382491.db2.gz VOXLEIXLZXFJCV-UHFFFAOYSA-N 0 3 296.455 2.692 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc2ccccc2n1 ZINC000628258488 354508554 /nfs/dbraw/zinc/50/85/54/354508554.db2.gz GSDLLEMPEQUIMX-GUYCJALGSA-N 0 3 283.375 2.701 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000628406854 354580209 /nfs/dbraw/zinc/58/02/09/354580209.db2.gz SIBUYWXKHMJXFE-HNNXBMFYSA-N 0 3 282.391 2.974 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@@H](C)N2CCCCCC2)C1 ZINC000628488036 354604694 /nfs/dbraw/zinc/60/46/94/354604694.db2.gz QIAWGVFQUNBGOV-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCOCCNCc1ccccc1OCC1CC1 ZINC000679486944 540065732 /nfs/dbraw/zinc/06/57/32/540065732.db2.gz VGLRTRAOOIOWMO-UHFFFAOYSA-N 0 3 261.365 2.768 20 30 CFEDHN C=CCOCCN[C@H](c1ccc(F)cn1)C(C)C ZINC000679575918 540088532 /nfs/dbraw/zinc/08/85/32/540088532.db2.gz DUJUBOYSDYJLBW-AWEZNQCLSA-N 0 3 252.333 2.710 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000630741252 355166032 /nfs/dbraw/zinc/16/60/32/355166032.db2.gz RZKSZNQVCMSNIN-GXTWGEPZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000630839416 355194646 /nfs/dbraw/zinc/19/46/46/355194646.db2.gz PRYMTGJZSCFARY-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@@H](NC[C@H](O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000271866804 191378144 /nfs/dbraw/zinc/37/81/44/191378144.db2.gz VFIMRYZQFUBPFV-RDTXWAMCSA-N 0 3 280.371 2.812 20 30 CFEDHN C=CCCOCCNCc1ccc(C(F)F)nc1 ZINC000631100755 355291481 /nfs/dbraw/zinc/29/14/81/355291481.db2.gz CRCILBDPSXHEHY-UHFFFAOYSA-N 0 3 256.296 2.702 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H](CO)C2)ccc1OC ZINC000631197935 355345523 /nfs/dbraw/zinc/34/55/23/355345523.db2.gz BUEOJFUVDBHGPU-GASCZTMLSA-N 0 3 291.391 2.511 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000631220207 355358180 /nfs/dbraw/zinc/35/81/80/355358180.db2.gz QKAGWGRLFFPBQI-HEHGZKQESA-N 0 3 261.365 2.907 20 30 CFEDHN C=CCCCC[C@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631697009 355551145 /nfs/dbraw/zinc/55/11/45/355551145.db2.gz VQMZUDODCAXJRF-ZDUSSCGKSA-N 0 3 292.427 2.923 20 30 CFEDHN C=CCCCC[C@H](C)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631697009 355551148 /nfs/dbraw/zinc/55/11/48/355551148.db2.gz VQMZUDODCAXJRF-ZDUSSCGKSA-N 0 3 292.427 2.923 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(C2CCC2)cc1 ZINC000631610473 355513741 /nfs/dbraw/zinc/51/37/41/355513741.db2.gz BLGVGHUFFKCBKX-ZDUSSCGKSA-N 0 3 272.392 2.907 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1F ZINC000404111888 283140312 /nfs/dbraw/zinc/14/03/12/283140312.db2.gz JWADKMMFFYFSMC-DJIMGWMZSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1ccc(CNC2(CO)CCC2)c(C(F)(F)F)c1 ZINC000356422085 283144529 /nfs/dbraw/zinc/14/45/29/283144529.db2.gz ULTOEMPTBDBXBX-UHFFFAOYSA-N 0 3 284.281 2.582 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCc3ccccc3OC2)o1 ZINC000367164036 283148684 /nfs/dbraw/zinc/14/86/84/283148684.db2.gz FVHGZMZPMIETKX-ZDUSSCGKSA-N 0 3 268.316 2.635 20 30 CFEDHN C=C(C)[C@H](CO)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000680580822 540240344 /nfs/dbraw/zinc/24/03/44/540240344.db2.gz FQLCUEUFYUCSKT-ROUUACIJSA-N 0 3 288.435 2.520 20 30 CFEDHN C=CC[C@H](CO)CNCc1cscc1Br ZINC000336744438 540265281 /nfs/dbraw/zinc/26/52/81/540265281.db2.gz ZJYCCMJGFKTFIE-VIFPVBQESA-N 0 3 290.226 2.785 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000294441650 199040488 /nfs/dbraw/zinc/04/04/88/199040488.db2.gz BASRHFBZBHXNPJ-CQSZACIVSA-N 0 3 274.408 2.835 20 30 CFEDHN OCC[C@H]1CCCCCN1CC#Cc1ccccc1 ZINC000342043762 540385046 /nfs/dbraw/zinc/38/50/46/540385046.db2.gz DZKCLTYNRHRUIE-QGZVFWFLSA-N 0 3 257.377 2.665 20 30 CFEDHN C#CCCOc1ccc(CN(C)CC(C)(C)CO)cc1 ZINC000294736780 199159380 /nfs/dbraw/zinc/15/93/80/199159380.db2.gz GVQHUNWCYMQNMS-UHFFFAOYSA-N 0 3 275.392 2.539 20 30 CFEDHN C#CCNC(=O)CCN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000294724340 199152710 /nfs/dbraw/zinc/15/27/10/199152710.db2.gz VUBZGOUPHIOMHY-MRXNPFEDSA-N 0 3 290.382 2.642 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cncc(Cl)c2)CC1 ZINC000294747828 199164677 /nfs/dbraw/zinc/16/46/77/199164677.db2.gz AGZHFKPZJXCJQQ-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN CC(C)(C[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1)C(N)=O ZINC000294893467 199234407 /nfs/dbraw/zinc/23/44/07/199234407.db2.gz WPRUAAAAQNNCMH-INIZCTEOSA-N 0 3 299.418 2.672 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1ccc(F)cc1F ZINC000294924386 199251857 /nfs/dbraw/zinc/25/18/57/199251857.db2.gz HACKIFQFDSXBBB-GFCCVEGCSA-N 0 3 266.335 2.571 20 30 CFEDHN CS[C@H]1CC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000421370745 236784341 /nfs/dbraw/zinc/78/43/41/236784341.db2.gz XETHXVVYUXXPFK-STQMWFEESA-N 0 3 250.342 2.681 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(OC)c1F ZINC000669685149 540483087 /nfs/dbraw/zinc/48/30/87/540483087.db2.gz STKGNJJFKHCPDK-XJKSGUPXSA-N 0 3 279.355 2.905 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000666756572 540577215 /nfs/dbraw/zinc/57/72/15/540577215.db2.gz UBXTVTNLQDZDPY-CVEARBPZSA-N 0 3 293.455 2.857 20 30 CFEDHN C#CCN(CCCC(=O)NCCC)Cc1ccc(F)cc1 ZINC000297710670 200266590 /nfs/dbraw/zinc/26/65/90/200266590.db2.gz AVRZKEBOZZXJAU-UHFFFAOYSA-N 0 3 290.382 2.567 20 30 CFEDHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000181764614 299301072 /nfs/dbraw/zinc/30/10/72/299301072.db2.gz XQUOCWIZSHDLHR-HXPMCKFVSA-N 0 3 278.421 2.756 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000298055967 200324935 /nfs/dbraw/zinc/32/49/35/200324935.db2.gz FVPIOFDQVWEGBA-UHFFFAOYSA-N 0 3 298.308 2.989 20 30 CFEDHN C#CCCNc1ccnc2cc(OC)c(OC)cc21 ZINC000298176281 200353098 /nfs/dbraw/zinc/35/30/98/200353098.db2.gz GFHJNCSIKHFGGY-UHFFFAOYSA-N 0 3 256.305 2.687 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccnc(N)c1 ZINC000298250565 200371738 /nfs/dbraw/zinc/37/17/38/200371738.db2.gz UCSRPRGQYUNYKR-UHFFFAOYSA-N 0 3 280.375 2.946 20 30 CFEDHN C[C@@H]1CCCCN1CCNCc1ccc(C#N)s1 ZINC000176947983 189016598 /nfs/dbraw/zinc/01/65/98/189016598.db2.gz KBTWWXIHFYUTMG-GFCCVEGCSA-N 0 3 263.410 2.584 20 30 CFEDHN CCC(CC)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176707964 189005494 /nfs/dbraw/zinc/00/54/94/189005494.db2.gz CUIRBARCTYPLFZ-GFCCVEGCSA-N 0 3 277.393 2.503 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)s2)[C@@H]2CCO[C@@H]21 ZINC000176974803 189017870 /nfs/dbraw/zinc/01/78/70/189017870.db2.gz NTNNXLJOJNLJSQ-XQQFMLRXSA-N 0 3 262.378 2.523 20 30 CFEDHN Cc1noc(C)c1C[C@@H](C)NCc1ccc(C#N)s1 ZINC000176973315 189018123 /nfs/dbraw/zinc/01/81/23/189018123.db2.gz PSRHAZOMIOXYMH-SECBINFHSA-N 0 3 275.377 2.945 20 30 CFEDHN CC1(C)[C@@H](NCc2ccc(C#N)s2)[C@@H]2CCO[C@@H]21 ZINC000176974819 189018187 /nfs/dbraw/zinc/01/81/87/189018187.db2.gz NTNNXLJOJNLJSQ-AVGNSLFASA-N 0 3 262.378 2.523 20 30 CFEDHN C#Cc1cccc(NC(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)c1 ZINC000177728177 189065421 /nfs/dbraw/zinc/06/54/21/189065421.db2.gz NHLHPBOVMMWOIA-SJORKVTESA-N 0 3 297.402 2.758 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccsc2)CC1 ZINC000177695590 189064172 /nfs/dbraw/zinc/06/41/72/189064172.db2.gz WHHSNFIGJDWUQB-UHFFFAOYSA-N 0 3 265.382 2.520 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000177777164 189069198 /nfs/dbraw/zinc/06/91/98/189069198.db2.gz IULVQMAGCKHHHX-UHFFFAOYSA-N 0 3 274.408 2.933 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(OC)ccc1OC ZINC000178033128 189086833 /nfs/dbraw/zinc/08/68/33/189086833.db2.gz LEODQZVDNDQOCD-CHWSQXEVSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179166856 189174027 /nfs/dbraw/zinc/17/40/27/189174027.db2.gz FIRQIZHBWHMNCZ-NUEKZKHPSA-N 0 3 287.407 2.696 20 30 CFEDHN CN1CC[C@@H](NCc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000179045817 189164512 /nfs/dbraw/zinc/16/45/12/189164512.db2.gz DIDDEHHZFLFIHV-SJORKVTESA-N 0 3 281.359 2.686 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000179639106 189209390 /nfs/dbraw/zinc/20/93/90/189209390.db2.gz VMSFAVIUGRJPQA-ZDUSSCGKSA-N 0 3 298.386 2.801 20 30 CFEDHN C=CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180137436 189238180 /nfs/dbraw/zinc/23/81/80/189238180.db2.gz HITQVPIVKBQYPL-WBVHZDCISA-N 0 3 272.392 2.904 20 30 CFEDHN C#CCSCCN[C@@H](C)c1nc2ccccc2n1C ZINC000180182726 189241593 /nfs/dbraw/zinc/24/15/93/189241593.db2.gz YCNINBZKMBYXLN-LBPRGKRZSA-N 0 3 273.405 2.590 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(OC)c2ccccc21 ZINC000180027270 189233467 /nfs/dbraw/zinc/23/34/67/189233467.db2.gz CCLPXJXOJXMVBN-ZDUSSCGKSA-N 0 3 298.386 2.801 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180291356 189248775 /nfs/dbraw/zinc/24/87/75/189248775.db2.gz UFEJJMGWXPEPGI-QGZVFWFLSA-N 0 3 290.382 2.949 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180438431 189255407 /nfs/dbraw/zinc/25/54/07/189255407.db2.gz YCLDLRGAEAZGIL-SMDDNHRTSA-N 0 3 264.325 2.573 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000180458818 189256239 /nfs/dbraw/zinc/25/62/39/189256239.db2.gz JEOSADIGLYFNOT-SGTLLEGYSA-N 0 3 283.462 2.994 20 30 CFEDHN C=CCOc1cccc(CN(C)C[C@H]2CCC[C@@H]2O)c1 ZINC000180530799 189261029 /nfs/dbraw/zinc/26/10/29/189261029.db2.gz RJZBYAXLPYGYMM-WBVHZDCISA-N 0 3 275.392 2.844 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(F)cc1C#N ZINC000180699110 189270865 /nfs/dbraw/zinc/27/08/65/189270865.db2.gz QUNAOKGEEZCNFH-UHFFFAOYSA-N 0 3 292.358 2.501 20 30 CFEDHN N#Cc1ccc(OCCN2CCC3(CCCC3=O)CC2)cc1 ZINC000661954528 541031723 /nfs/dbraw/zinc/03/17/23/541031723.db2.gz YYWHLOCDNFXCCY-UHFFFAOYSA-N 0 3 298.386 2.772 20 30 CFEDHN C#CCSCCN[C@H](C)c1sc(CCOC)nc1C ZINC000181101459 189288274 /nfs/dbraw/zinc/28/82/74/189288274.db2.gz MNZGQZKNCPYVIH-LLVKDONJSA-N 0 3 298.477 2.657 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181100234 189288804 /nfs/dbraw/zinc/28/88/04/189288804.db2.gz WMZRNXDCOGLWTE-LLVKDONJSA-N 0 3 264.350 2.612 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000182683031 189331312 /nfs/dbraw/zinc/33/13/12/189331312.db2.gz PCBSMVPTBKEHML-CQSZACIVSA-N 0 3 283.375 2.761 20 30 CFEDHN C=CCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182523233 189326472 /nfs/dbraw/zinc/32/64/72/189326472.db2.gz FRMKBWSZTIDZNY-AWEZNQCLSA-N 0 3 260.381 2.589 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000182589248 189328204 /nfs/dbraw/zinc/32/82/04/189328204.db2.gz BWZBUXWMOXDRAX-FZMZJTMJSA-N 0 3 278.783 2.519 20 30 CFEDHN CO[C@@H](CN(C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425536967 239093283 /nfs/dbraw/zinc/09/32/83/239093283.db2.gz PTFWRPOEPLXIGI-WBMJQRKESA-N 0 3 258.365 2.976 20 30 CFEDHN Cc1nccn1CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538962 239095210 /nfs/dbraw/zinc/09/52/10/239095210.db2.gz SXVGORYXAQSKEN-ZDUSSCGKSA-N 0 3 268.364 2.756 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H]2[C@H](CCCN2C)C1 ZINC000302061123 201323985 /nfs/dbraw/zinc/32/39/85/201323985.db2.gz SXTVLRPGDZYQMW-WBVHZDCISA-N 0 3 297.402 2.681 20 30 CFEDHN CCN(CC)[C@H](C)CNc1cc(C#N)ccc1C(C)=O ZINC000302134843 201358210 /nfs/dbraw/zinc/35/82/10/201358210.db2.gz ZMPFCUHNGQTLBC-GFCCVEGCSA-N 0 3 273.380 2.903 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667943601 541346637 /nfs/dbraw/zinc/34/66/37/541346637.db2.gz UXJRQDPHOQVSJT-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275666191 193100284 /nfs/dbraw/zinc/10/02/84/193100284.db2.gz YKRMFFBZBGCFHM-JKSUJKDBSA-N 0 3 293.432 2.513 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)c(C)c2)cs1 ZINC000443976961 241099923 /nfs/dbraw/zinc/09/99/23/241099923.db2.gz GIVPUWKVLOJDSF-UHFFFAOYSA-N 0 3 271.389 2.964 20 30 CFEDHN Cc1cc(CNC[C@@H]2CCC(C)(C)O2)ccc1C#N ZINC000443997574 241105128 /nfs/dbraw/zinc/10/51/28/241105128.db2.gz NBMPXMSAVRGYBQ-HNNXBMFYSA-N 0 3 258.365 2.914 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1 ZINC000443336446 241054732 /nfs/dbraw/zinc/05/47/32/241054732.db2.gz QGOFWCKXRMDTKW-IOASZLSFSA-N 0 3 258.365 2.540 20 30 CFEDHN CC(C)C(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)C ZINC000447016403 241346859 /nfs/dbraw/zinc/34/68/59/241346859.db2.gz JEGXIVZZLJRAAS-INIZCTEOSA-N 0 3 287.407 2.602 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C12CCC2 ZINC000449632510 242081543 /nfs/dbraw/zinc/08/15/43/242081543.db2.gz MXMFCIIEWDSOEB-CVEARBPZSA-N 0 3 270.376 2.948 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000449773624 242151995 /nfs/dbraw/zinc/15/19/95/242151995.db2.gz IWQOMOLFHFVVIP-CQSZACIVSA-N 0 3 288.391 2.815 20 30 CFEDHN C[C@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CN1C1CC1 ZINC000450380807 242387142 /nfs/dbraw/zinc/38/71/42/242387142.db2.gz SEFJCJLMVBWPGW-CMPLNLGQSA-N 0 3 286.335 2.504 20 30 CFEDHN C=CCCCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000574339775 335012223 /nfs/dbraw/zinc/01/22/23/335012223.db2.gz VTBFCXABWAORTA-UHFFFAOYSA-N 0 3 258.365 2.766 20 30 CFEDHN CCC#C[C@H](C)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000677047790 541813659 /nfs/dbraw/zinc/81/36/59/541813659.db2.gz HWJVTDIUKUKRCM-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN Cc1cc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)ccc1C#N ZINC000459742315 245298966 /nfs/dbraw/zinc/29/89/66/245298966.db2.gz YVOWZFDGUYQTGA-IRXDYDNUSA-N 0 3 282.387 2.868 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@@H](OC)C12CCC2 ZINC000459768740 245314228 /nfs/dbraw/zinc/31/42/28/245314228.db2.gz QQSPZHOLKRCSGL-JKSUJKDBSA-N 0 3 286.375 2.614 20 30 CFEDHN CC[C@H]1CCCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000331967360 204344296 /nfs/dbraw/zinc/34/42/96/204344296.db2.gz JITOPYSNKALNHU-KRWDZBQOSA-N 0 3 299.418 2.829 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000677478209 541862291 /nfs/dbraw/zinc/86/22/91/541862291.db2.gz RLECXJBGUHYPJN-HNNXBMFYSA-N 0 3 263.381 2.681 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000677480336 541865533 /nfs/dbraw/zinc/86/55/33/541865533.db2.gz XGECWZNHJJSFHK-INIZCTEOSA-N 0 3 285.391 2.679 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000677479978 541865629 /nfs/dbraw/zinc/86/56/29/541865629.db2.gz UEZUQVUTAQJLRJ-OAHLLOKOSA-N 0 3 290.451 2.949 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000677480338 541865338 /nfs/dbraw/zinc/86/53/38/541865338.db2.gz XGECWZNHJJSFHK-MRXNPFEDSA-N 0 3 285.391 2.679 20 30 CFEDHN COc1cc(CN[C@@H]2C[C@](C)(OC)C2(C)C)ccc1C#N ZINC000332499419 204757148 /nfs/dbraw/zinc/75/71/48/204757148.db2.gz ZXBHXIGMNVMLQR-WBVHZDCISA-N 0 3 288.391 2.860 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000677539970 541874417 /nfs/dbraw/zinc/87/44/17/541874417.db2.gz UTQCCJCNPVIPJG-HOCLYGCPSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCOc1ccccc1CNC1CCC(O)CC1 ZINC000034991243 372525244 /nfs/dbraw/zinc/52/52/44/372525244.db2.gz AJDROKFKCYUFSK-UHFFFAOYSA-N 0 3 261.365 2.645 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000451700535 383685832 /nfs/dbraw/zinc/68/58/32/383685832.db2.gz GLMAWECRZJTFEQ-IIAWOOMASA-N 0 3 288.366 2.680 20 30 CFEDHN N#CC(C(=O)c1ccoc1)c1nc2ccccc2[nH]1 ZINC000041495563 372844312 /nfs/dbraw/zinc/84/43/12/372844312.db2.gz HUDFREKSJKVWIN-SNVBAGLBSA-N 0 3 251.245 2.646 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000431636984 383686506 /nfs/dbraw/zinc/68/65/06/383686506.db2.gz XWPCRKKMJRTVEU-BMGDILEWSA-N 0 3 298.430 2.803 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CCCCO1 ZINC000042815807 372958186 /nfs/dbraw/zinc/95/81/86/372958186.db2.gz KUIOSWPMFGETGL-OAHLLOKOSA-N 0 3 261.365 2.910 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000044824280 373010361 /nfs/dbraw/zinc/01/03/61/373010361.db2.gz SEOJRLJGEZCQGY-SECBINFHSA-N 0 3 281.153 2.567 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)SC)C(C)C ZINC000047851862 373121509 /nfs/dbraw/zinc/12/15/09/373121509.db2.gz BRXKZNZLFZHRFQ-KGLIPLIRSA-N 0 3 284.469 2.553 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000047873370 373124258 /nfs/dbraw/zinc/12/42/58/373124258.db2.gz WVAQHJKFYPROPI-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN CN(CCC(=O)N(C)CCC#N)Cc1cccc(Cl)c1 ZINC000048877330 373229414 /nfs/dbraw/zinc/22/94/14/373229414.db2.gz CETWWVWXHHLFJO-UHFFFAOYSA-N 0 3 293.798 2.534 20 30 CFEDHN CCC(C#N)(CC)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000529250322 383689264 /nfs/dbraw/zinc/68/92/64/383689264.db2.gz IFIPUWZVXIFVLD-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000052746731 373451736 /nfs/dbraw/zinc/45/17/36/373451736.db2.gz SFLIWXHPJJPJMD-UHFFFAOYSA-N 0 3 272.392 2.765 20 30 CFEDHN CC[C@H](CC#N)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000054182719 373504889 /nfs/dbraw/zinc/50/48/89/373504889.db2.gz YOAJADJDSBWLDU-GXTWGEPZSA-N 0 3 276.380 2.917 20 30 CFEDHN C#C[C@@H](NCc1ccc(N(C)C(C)C)nc1)C(C)C ZINC000289633066 197427665 /nfs/dbraw/zinc/42/76/65/197427665.db2.gz XBQZWWMYTXNVOD-OAHLLOKOSA-N 0 3 259.397 2.674 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640060193 383693905 /nfs/dbraw/zinc/69/39/05/383693905.db2.gz ATUJOLXTDLWMHH-CMPLNLGQSA-N 0 3 276.336 2.511 20 30 CFEDHN CC#CC[C@H](CO)Nc1ccnc2ccc(OC(C)C)cc21 ZINC000645406727 383694583 /nfs/dbraw/zinc/69/45/83/383694583.db2.gz AUOXIQGUSRIPRB-CQSZACIVSA-N 0 3 298.386 2.630 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000065480820 373877981 /nfs/dbraw/zinc/87/79/81/373877981.db2.gz WMJYREDMLSATEH-OAHLLOKOSA-N 0 3 281.444 2.714 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000067141644 373971733 /nfs/dbraw/zinc/97/17/33/373971733.db2.gz IORPEBORVWOMEP-UHFFFAOYSA-N 0 3 294.757 2.763 20 30 CFEDHN CN(C)[C@H](CNc1ncccc1C#N)Cc1ccccc1 ZINC000068836592 374041012 /nfs/dbraw/zinc/04/10/12/374041012.db2.gz RZAUUZDAAXKWKP-INIZCTEOSA-N 0 3 280.375 2.538 20 30 CFEDHN CCN(CC#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000068957289 374043154 /nfs/dbraw/zinc/04/31/54/374043154.db2.gz CFYMMBUGQHJJTP-HOCLYGCPSA-N 0 3 257.381 2.667 20 30 CFEDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C#N)o2)o1 ZINC000289488610 197372701 /nfs/dbraw/zinc/37/27/01/197372701.db2.gz RJMZUAXLRDGTHP-UHFFFAOYSA-N 0 3 287.363 2.617 20 30 CFEDHN C=CCn1c(SCCN(C)C)nnc1-c1ccoc1C ZINC000072736604 374280506 /nfs/dbraw/zinc/28/05/06/374280506.db2.gz BSTWNXHLOKANCB-UHFFFAOYSA-N 0 3 292.408 2.686 20 30 CFEDHN COCC#CCN(Cc1ccc(C)c(C)c1)C1CC1 ZINC000677817935 541909817 /nfs/dbraw/zinc/90/98/17/541909817.db2.gz RIMMPMQVUZBASQ-UHFFFAOYSA-N 0 3 257.377 2.918 20 30 CFEDHN CC(C)[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000072879373 374296714 /nfs/dbraw/zinc/29/67/14/374296714.db2.gz IYOGEULMOYVGSY-GOEBONIOSA-N 0 3 287.407 2.734 20 30 CFEDHN CCC[C@H]1[C@H](C)CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000072775046 374284535 /nfs/dbraw/zinc/28/45/35/374284535.db2.gz UVEHYSWFJFKROM-XHSDSOJGSA-N 0 3 293.455 2.895 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000678219961 541974187 /nfs/dbraw/zinc/97/41/87/541974187.db2.gz NXXADZAPUIVFMG-ZDUSSCGKSA-N 0 3 289.297 2.954 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc3cc[nH]c32)CC1 ZINC000080079744 374639848 /nfs/dbraw/zinc/63/98/48/374639848.db2.gz HBSHADQYUINNDN-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000090106619 374991917 /nfs/dbraw/zinc/99/19/17/374991917.db2.gz YZAWOPNCTBXQMU-LBPRGKRZSA-N 0 3 285.322 2.822 20 30 CFEDHN COC(=O)CCN(Cc1cc(C#N)cs1)CC(C)C ZINC000091923127 375071020 /nfs/dbraw/zinc/07/10/20/375071020.db2.gz GPANNVFOLWRTRS-UHFFFAOYSA-N 0 3 280.393 2.641 20 30 CFEDHN C=CCOc1ccccc1CN(CCCCO)C1CC1 ZINC000093383155 375225114 /nfs/dbraw/zinc/22/51/14/375225114.db2.gz CGEFNXFUKIFPNF-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN CSC[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093761521 375306948 /nfs/dbraw/zinc/30/69/48/375306948.db2.gz OPCWVEKSOMYQFK-NSHDSACASA-N 0 3 252.408 2.947 20 30 CFEDHN CC(C)(CCC#N)CN1CCOC2(CCCC2)C1 ZINC000093589400 375270151 /nfs/dbraw/zinc/27/01/51/375270151.db2.gz FOTSAPWZLBRHSG-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN N#CCCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917737 375657792 /nfs/dbraw/zinc/65/77/92/375657792.db2.gz RATHYONJTHBAHV-UHFFFAOYSA-N 0 3 289.354 2.780 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000678741959 542064286 /nfs/dbraw/zinc/06/42/86/542064286.db2.gz HSTWLSZYVUGCSJ-OCCSQVGLSA-N 0 3 279.380 2.600 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000111420911 375846845 /nfs/dbraw/zinc/84/68/45/375846845.db2.gz XNEMLSWUGLNPET-OAHLLOKOSA-N 0 3 286.379 2.554 20 30 CFEDHN C[C@H](NCCOCC(F)(F)F)c1cccc(C#N)c1 ZINC000111636782 375860201 /nfs/dbraw/zinc/86/02/01/375860201.db2.gz SWMCBCHFMNPBBB-JTQLQIEISA-N 0 3 272.270 2.788 20 30 CFEDHN C=CC[C@H](CO)CN[C@H]1CCc2c1cc(F)cc2F ZINC000678775608 542068721 /nfs/dbraw/zinc/06/87/21/542068721.db2.gz YHFCXUPVIIYGPO-BONVTDFDSA-N 0 3 267.319 2.726 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000112703008 375950639 /nfs/dbraw/zinc/95/06/39/375950639.db2.gz FPYGWKUNZYISJW-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCc1cc(CN[C@@H]2CCC[C@H]2OC)cc(OC)c1O ZINC000113329941 376010317 /nfs/dbraw/zinc/01/03/17/376010317.db2.gz LFXXAXZXJJRPLB-HUUCEWRRSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CC[C@H](C)NCc1c(OC)cc(OC)cc1OC ZINC000116926808 376215457 /nfs/dbraw/zinc/21/54/57/376215457.db2.gz OPQKLFAIRLEITF-NSHDSACASA-N 0 3 265.353 2.767 20 30 CFEDHN C=CCCCN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000118000097 376270112 /nfs/dbraw/zinc/27/01/12/376270112.db2.gz QGIPMQKJZCQXKS-UHFFFAOYSA-N 0 3 251.326 2.773 20 30 CFEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000118832986 376317955 /nfs/dbraw/zinc/31/79/55/376317955.db2.gz LHZLAXWCKPDGCO-ZDUSSCGKSA-N 0 3 273.380 2.863 20 30 CFEDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000263781530 190078836 /nfs/dbraw/zinc/07/88/36/190078836.db2.gz VMSUYVCLZXOSGV-KRWDZBQOSA-N 0 3 299.418 2.542 20 30 CFEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1ccccc1 ZINC000263962063 190086823 /nfs/dbraw/zinc/08/68/23/190086823.db2.gz KVKPFOBNOCOMSR-UHFFFAOYSA-N 0 3 274.408 2.936 20 30 CFEDHN CC(C)(C#N)CCN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000119886330 376498282 /nfs/dbraw/zinc/49/82/82/376498282.db2.gz PQPOMVUFZUJSHC-ZIAGYGMSSA-N 0 3 282.453 2.913 20 30 CFEDHN C=CCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000263883574 190083754 /nfs/dbraw/zinc/08/37/54/190083754.db2.gz NTHQXQXXHWNRPU-UHFFFAOYSA-N 0 3 268.364 2.837 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000264431073 190109573 /nfs/dbraw/zinc/10/95/73/190109573.db2.gz CNJVJLRWNZSAAJ-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3ccccc32)CC1 ZINC000264483042 190112826 /nfs/dbraw/zinc/11/28/26/190112826.db2.gz VAKVWDHCYITKAW-UHFFFAOYSA-N 0 3 268.364 2.692 20 30 CFEDHN C=C(C)CN(C)CCCn1c2ccccc2[nH]c1=O ZINC000679218439 542135891 /nfs/dbraw/zinc/13/58/91/542135891.db2.gz LZTYMVVMVQKUCZ-UHFFFAOYSA-N 0 3 259.353 2.640 20 30 CFEDHN CC(C)(C)C[C@H](CO)NCc1ccc(C#N)s1 ZINC000121384795 376818541 /nfs/dbraw/zinc/81/85/41/376818541.db2.gz KLVFANUGODIDAC-SNVBAGLBSA-N 0 3 252.383 2.506 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000121407875 376825292 /nfs/dbraw/zinc/82/52/92/376825292.db2.gz UGYRHCODCLROMG-OAHLLOKOSA-N 0 3 297.402 2.613 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@@H]1CCSC1 ZINC000121597012 376865999 /nfs/dbraw/zinc/86/59/99/376865999.db2.gz ZOKVRVPHVNVEIR-CYBMUJFWSA-N 0 3 262.378 2.504 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](C(=O)OC)C2)c1 ZINC000122262554 376924737 /nfs/dbraw/zinc/92/47/37/376924737.db2.gz VHMIEJONESHWCR-HNNXBMFYSA-N 0 3 289.375 2.636 20 30 CFEDHN C[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1C ZINC000122866950 376939571 /nfs/dbraw/zinc/93/95/71/376939571.db2.gz JELHQISIPAJWFG-CABCVRRESA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCOc1ccccc1CNCC1(OC)CCOCC1 ZINC000123106773 376947331 /nfs/dbraw/zinc/94/73/31/376947331.db2.gz MFJKFRBGUGQNIA-UHFFFAOYSA-N 0 3 291.391 2.537 20 30 CFEDHN C#CCSCCNCc1nc2cc(Cl)ccc2n1C ZINC000123452623 376954866 /nfs/dbraw/zinc/95/48/66/376954866.db2.gz HPKWCZSJIKOOTG-UHFFFAOYSA-N 0 3 293.823 2.683 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000123866471 376990204 /nfs/dbraw/zinc/99/02/04/376990204.db2.gz HUEGGXPJIXVPCX-NVXWUHKLSA-N 0 3 257.377 2.664 20 30 CFEDHN N#CCNC(=O)CN1CCCC[C@H]1CCCc1ccccc1 ZINC000125077311 377114586 /nfs/dbraw/zinc/11/45/86/377114586.db2.gz SLOVQQKGXKYBMG-KRWDZBQOSA-N 0 3 299.418 2.504 20 30 CFEDHN CC(C)OCCCN(C)CCOc1cccc(C#N)c1 ZINC000264720108 190131214 /nfs/dbraw/zinc/13/12/14/190131214.db2.gz LAKKTPWFNYRXLG-UHFFFAOYSA-N 0 3 276.380 2.684 20 30 CFEDHN C=C(C)COCCNCc1cccc2cccnc21 ZINC000125768427 377192743 /nfs/dbraw/zinc/19/27/43/377192743.db2.gz OGBIFXALBVNBCN-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)CCC[C@@H]1C ZINC000125404544 377152408 /nfs/dbraw/zinc/15/24/08/377152408.db2.gz LCRVEZFOZNRSIO-KFWWJZLASA-N 0 3 279.428 2.505 20 30 CFEDHN C[C@@H](CNc1ccc(C#N)cn1)N(C)Cc1ccccc1 ZINC000264824883 190136953 /nfs/dbraw/zinc/13/69/53/190136953.db2.gz YLLXZVJRTUPLOI-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC(C)(C)CC1 ZINC000127116525 377265301 /nfs/dbraw/zinc/26/53/01/377265301.db2.gz JQGMVFYWWQKMEC-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)C1(C#N)CCC1)c1ccccc1 ZINC000128312010 377330426 /nfs/dbraw/zinc/33/04/26/377330426.db2.gz SLKZYRZGTGNJIG-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN CC(C)(CCC#N)CN1CCCN(CC(F)(F)F)CC1 ZINC000129509493 377438602 /nfs/dbraw/zinc/43/86/02/377438602.db2.gz VZWMLUIXZMLETO-UHFFFAOYSA-N 0 3 291.361 2.886 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000129785934 377471369 /nfs/dbraw/zinc/47/13/69/377471369.db2.gz YPNAGGONYTZDPT-VYDXJSESSA-N 0 3 286.419 2.803 20 30 CFEDHN COC(=O)[C@H]1CC12CCN([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000265523702 190188174 /nfs/dbraw/zinc/18/81/74/190188174.db2.gz OMJXDOKDTQNVAI-CZUORRHYSA-N 0 3 298.386 2.894 20 30 CFEDHN C=CCCCN(C)C[C@H](O)c1cc(F)ccc1F ZINC000265587274 190191755 /nfs/dbraw/zinc/19/17/55/190191755.db2.gz HHNUOENBONBKTO-AWEZNQCLSA-N 0 3 255.308 2.896 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N(C)CC1CCN(C)CC1 ZINC000131290100 377688596 /nfs/dbraw/zinc/68/85/96/377688596.db2.gz YLRORRSMHDWIAT-UHFFFAOYSA-N 0 3 285.391 2.539 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000131636242 377738513 /nfs/dbraw/zinc/73/85/13/377738513.db2.gz ZJEWBTAODUTZDA-ZFWWWQNUSA-N 0 3 258.365 2.523 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(O)CCc3ccccc32)s1 ZINC000132124827 377804220 /nfs/dbraw/zinc/80/42/20/377804220.db2.gz ZDZVCMPLUXMNOA-INIZCTEOSA-N 0 3 284.384 2.543 20 30 CFEDHN C=CCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000132770967 377875318 /nfs/dbraw/zinc/87/53/18/377875318.db2.gz KHLOYKRCWULQBH-NSHDSACASA-N 0 3 279.771 2.572 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000133845094 377963373 /nfs/dbraw/zinc/96/33/73/377963373.db2.gz MFFKISPSGPNIMH-DLBZAZTESA-N 0 3 299.418 2.674 20 30 CFEDHN N#Cc1cccc(CN2CCCC3(CCOCC3)C2)c1 ZINC000266015980 190223550 /nfs/dbraw/zinc/22/35/50/190223550.db2.gz NFKXOFLVODPORO-UHFFFAOYSA-N 0 3 270.376 2.951 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000135026186 378075194 /nfs/dbraw/zinc/07/51/94/378075194.db2.gz FLHHQQHCTNJPCY-INIZCTEOSA-N 0 3 264.413 2.745 20 30 CFEDHN CCCCN(CCOC)Cc1ccc(OC)c(C#N)c1 ZINC000135066233 378079243 /nfs/dbraw/zinc/07/92/43/378079243.db2.gz YJXLXOOKRQMHEJ-UHFFFAOYSA-N 0 3 276.380 2.815 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1CCC(C)C ZINC000135309616 378115942 /nfs/dbraw/zinc/11/59/42/378115942.db2.gz AUOPRXAQYMVXLB-HZPDHXFCSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H](C)N1C ZINC000135265200 378107184 /nfs/dbraw/zinc/10/71/84/378107184.db2.gz ZMFGHFKDFPKKLU-PHIMTYICSA-N 0 3 263.772 2.740 20 30 CFEDHN C[C@H](NCCC(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000135725511 378160891 /nfs/dbraw/zinc/16/08/91/378160891.db2.gz JHDBZFPUXCZBEE-LBPRGKRZSA-N 0 3 273.380 2.514 20 30 CFEDHN O=C(CN[C@H]1CCC(=O)NC12CCC2)NC1CCCCC1 ZINC000328694900 378416845 /nfs/dbraw/zinc/41/68/45/378416845.db2.gz KFPFSAQWRJYFJO-ZDUSSCGKSA-N 0 3 293.411 2.907 20 30 CFEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000328964398 378444189 /nfs/dbraw/zinc/44/41/89/378444189.db2.gz RSRGSTGJSOAHOP-NYTXWWLZSA-N 0 3 288.395 2.576 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000329385230 378459924 /nfs/dbraw/zinc/45/99/24/378459924.db2.gz RWXJLGQBXSANPQ-OAHLLOKOSA-N 0 3 284.407 2.728 20 30 CFEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ncoc1C1CC1 ZINC000328797817 378425886 /nfs/dbraw/zinc/42/58/86/378425886.db2.gz FMXCTBAMNHPBKX-LBPRGKRZSA-N 0 3 289.379 2.874 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3C[C@H]4CCC[C@@H]4C3)o2)c1 ZINC000329811345 378499282 /nfs/dbraw/zinc/49/92/82/378499282.db2.gz MSDSXOFYQXBXGL-HUUCEWRRSA-N 0 3 294.358 2.840 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000329821121 378501657 /nfs/dbraw/zinc/50/16/57/378501657.db2.gz GRJPLKATEUOPEC-CHWSQXEVSA-N 0 3 281.400 2.716 20 30 CFEDHN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)C1=CCN(C)CC1 ZINC000329851959 378505263 /nfs/dbraw/zinc/50/52/63/378505263.db2.gz UGPHNVYFZIZGHU-JSGCOSHPSA-N 0 3 293.411 2.740 20 30 CFEDHN O=C(NCc1ncccc1[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329927626 378514432 /nfs/dbraw/zinc/51/44/32/378514432.db2.gz LSWYPKJTLQXBFS-CQSZACIVSA-N 0 3 289.379 2.651 20 30 CFEDHN O=C(NCc1ncccc1[O-])[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329927626 378514436 /nfs/dbraw/zinc/51/44/36/378514436.db2.gz LSWYPKJTLQXBFS-CQSZACIVSA-N 0 3 289.379 2.651 20 30 CFEDHN C[C@H](c1cnn(C)c1)N(C)CCCC1(C#N)CCOCC1 ZINC000330388374 378541628 /nfs/dbraw/zinc/54/16/28/378541628.db2.gz NHYNHUVJPVXQIQ-CQSZACIVSA-N 0 3 290.411 2.513 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2c(C)onc2CC)CC1 ZINC000330669895 378595833 /nfs/dbraw/zinc/59/58/33/378595833.db2.gz YRZNNGQSRGFJTH-UHFFFAOYSA-N 0 3 291.395 2.891 20 30 CFEDHN CCCN(C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000331015030 378614570 /nfs/dbraw/zinc/61/45/70/378614570.db2.gz XRJUMPKJKOUVBL-UHFFFAOYSA-N 0 3 293.455 2.943 20 30 CFEDHN C=C(C)CNC(C)(C)C(=O)NCC1CCCCC1 ZINC000155338286 378622101 /nfs/dbraw/zinc/62/21/01/378622101.db2.gz NFYNGOOBSGQASS-UHFFFAOYSA-N 0 3 252.402 2.627 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000155399779 378625644 /nfs/dbraw/zinc/62/56/44/378625644.db2.gz BLTMGAGKVISGQG-LBPRGKRZSA-N 0 3 287.344 2.706 20 30 CFEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000155397649 378625741 /nfs/dbraw/zinc/62/57/41/378625741.db2.gz FPMYHORKZOLGCT-ZDUSSCGKSA-N 0 3 299.355 2.900 20 30 CFEDHN CN(CCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000157436363 378653942 /nfs/dbraw/zinc/65/39/42/378653942.db2.gz MPBRDFNWKZJLEI-UHFFFAOYSA-N 0 3 260.337 2.787 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000157698259 378657188 /nfs/dbraw/zinc/65/71/88/378657188.db2.gz NEBDWYWMSNOFIW-CZUORRHYSA-N 0 3 272.392 2.747 20 30 CFEDHN COC(=O)CC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000331282692 378662514 /nfs/dbraw/zinc/66/25/14/378662514.db2.gz VSZDYGYGSHXANB-ZDUSSCGKSA-N 0 3 286.375 2.894 20 30 CFEDHN CCCCN(CC#Cc1cccc(Cl)c1)CCO ZINC000158462875 378669220 /nfs/dbraw/zinc/66/92/20/378669220.db2.gz WXWSYDXWVPAACE-UHFFFAOYSA-N 0 3 265.784 2.786 20 30 CFEDHN C=C(C)CN(CC)Cc1ccccc1OCC(=O)N(C)C ZINC000159003100 378680035 /nfs/dbraw/zinc/68/00/35/378680035.db2.gz DARPUKNPGHTBQK-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN CC#CCCN(CCCO)Cc1cccc(Cl)c1 ZINC000156768197 378644329 /nfs/dbraw/zinc/64/43/29/378644329.db2.gz OZIOCPBEJABKPN-UHFFFAOYSA-N 0 3 265.784 2.938 20 30 CFEDHN C[C@]1(CO)CCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000331194165 378647433 /nfs/dbraw/zinc/64/74/33/378647433.db2.gz XESNWNZUKHVZKQ-LSDHHAIUSA-N 0 3 278.783 2.852 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000157117688 378648983 /nfs/dbraw/zinc/64/89/83/378648983.db2.gz JFVSBZUWTZTPBA-HIFRSBDPSA-N 0 3 260.381 2.747 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000157280450 378652221 /nfs/dbraw/zinc/65/22/21/378652221.db2.gz FMUKVYAOGITVFW-NVXWUHKLSA-N 0 3 273.351 2.678 20 30 CFEDHN COc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1C#N ZINC000332477373 378768421 /nfs/dbraw/zinc/76/84/21/378768421.db2.gz VKMNSKITCYWJLM-UHFFFAOYSA-N 0 3 296.374 2.670 20 30 CFEDHN Cc1ccc(C#N)c(NCCN(C)Cc2ccccc2)n1 ZINC000160783554 378799102 /nfs/dbraw/zinc/79/91/02/378799102.db2.gz RHPKZSDOTPWPIV-UHFFFAOYSA-N 0 3 280.375 2.806 20 30 CFEDHN C[C@@H]1CSC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000334193681 378908042 /nfs/dbraw/zinc/90/80/42/378908042.db2.gz IPKNNTCCCYEJQH-NOZJJQNGSA-N 0 3 250.342 2.538 20 30 CFEDHN CC[C@H](N[C@H](C)CO[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000278629189 194075534 /nfs/dbraw/zinc/07/55/34/194075534.db2.gz GTQYKJGWBWLWBF-COXVUDFISA-N 0 3 288.391 2.793 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000335310689 379058974 /nfs/dbraw/zinc/05/89/74/379058974.db2.gz QUILIDWFZOCECR-RKDXNWHRSA-N 0 3 259.334 2.633 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000335310687 379059165 /nfs/dbraw/zinc/05/91/65/379059165.db2.gz QUILIDWFZOCECR-DTWKUNHWSA-N 0 3 259.334 2.633 20 30 CFEDHN N#Cc1cccc(CNCC2(CO)CC3(CCC3)C2)c1 ZINC000278665876 194091514 /nfs/dbraw/zinc/09/15/14/194091514.db2.gz NQTUYBHZDKMXLD-UHFFFAOYSA-N 0 3 270.376 2.591 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000278705130 194112459 /nfs/dbraw/zinc/11/24/59/194112459.db2.gz LFJNTPOVKDYMGG-DOMZBBRYSA-N 0 3 287.407 2.902 20 30 CFEDHN CC[C@@]1(C)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000335324873 379091015 /nfs/dbraw/zinc/09/10/15/379091015.db2.gz AMJVRPJFNIPALJ-INIZCTEOSA-N 0 3 268.364 2.828 20 30 CFEDHN CC(C)N1CCC(N(C)C(=O)c2ccc(C#N)s2)CC1 ZINC000335333288 379108315 /nfs/dbraw/zinc/10/83/15/379108315.db2.gz SSOKOARHJQCGIY-UHFFFAOYSA-N 0 3 291.420 2.565 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000289454405 197354920 /nfs/dbraw/zinc/35/49/20/197354920.db2.gz BYUBNDPPQPTBHU-VIFPVBQESA-N 0 3 277.698 2.578 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(C)c2C)n1 ZINC000334379657 379193663 /nfs/dbraw/zinc/19/36/63/379193663.db2.gz HUXXMJCUKQSAOE-GFCCVEGCSA-N 0 3 273.361 2.897 20 30 CFEDHN C=CCN1CCC(NC(=O)CC2=CCCCC2)CC1 ZINC000170946179 379196201 /nfs/dbraw/zinc/19/62/01/379196201.db2.gz NRKZNMZDPLWSNO-UHFFFAOYSA-N 0 3 262.397 2.644 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccco1 ZINC000278828196 194173151 /nfs/dbraw/zinc/17/31/51/194173151.db2.gz CLMDJCKIUBGZPC-KGLIPLIRSA-N 0 3 286.379 2.791 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000171127695 379237249 /nfs/dbraw/zinc/23/72/49/379237249.db2.gz IKOLQCLIULOFBN-OAHLLOKOSA-N 0 3 278.783 2.683 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2cc(C)ccc2C)CC1 ZINC000171715252 379382478 /nfs/dbraw/zinc/38/24/78/379382478.db2.gz IXDWFMLAWGHSCM-UHFFFAOYSA-N 0 3 286.419 2.613 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C(\C)c2ccccc2)CC1 ZINC000171716118 379382726 /nfs/dbraw/zinc/38/27/26/379382726.db2.gz ZDBOBVYATMLSCM-CCEZHUSRSA-N 0 3 284.403 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)ccc2F)CC1 ZINC000171715270 379383522 /nfs/dbraw/zinc/38/35/22/379383522.db2.gz MVSGADIFTCHCDZ-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN C=CCN1CCC(NC(=O)CCc2ccc(F)cc2)CC1 ZINC000171723914 379384298 /nfs/dbraw/zinc/38/42/98/379384298.db2.gz CLGGWWWTIUEQDH-UHFFFAOYSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(C)cc2)CC1 ZINC000171725586 379387663 /nfs/dbraw/zinc/38/76/63/379387663.db2.gz NEOCYXWVIUNBKM-CMDGGOBGSA-N 0 3 284.403 2.775 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000171725220 379388159 /nfs/dbraw/zinc/38/81/59/379388159.db2.gz IJZIJPMJGNEBHP-UHFFFAOYSA-N 0 3 278.783 2.720 20 30 CFEDHN N#Cc1ccc(N2CCCN(C3CC3)CC2)cc1Cl ZINC000171831501 379415671 /nfs/dbraw/zinc/41/56/71/379415671.db2.gz QPTPQWGXYGXTSF-UHFFFAOYSA-N 0 3 275.783 2.886 20 30 CFEDHN C[C@@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1O ZINC000334560687 379529653 /nfs/dbraw/zinc/52/96/53/379529653.db2.gz FNHKEPWSTJRVMT-KGLIPLIRSA-N 0 3 250.386 2.553 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000334570769 379548971 /nfs/dbraw/zinc/54/89/71/379548971.db2.gz PYONZOMPQRGKSQ-TVQRCGJNSA-N 0 3 296.729 2.539 20 30 CFEDHN N#Cc1ccc(CN(CCOCC2CC2)C2CC2)cc1 ZINC000172765447 379641581 /nfs/dbraw/zinc/64/15/81/379641581.db2.gz NZXHXBIBLJCCIQ-UHFFFAOYSA-N 0 3 270.376 2.949 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)cc(F)c2)CC1 ZINC000173101630 379696325 /nfs/dbraw/zinc/69/63/25/379696325.db2.gz WGCALZDFLNZXNQ-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000335654395 379670905 /nfs/dbraw/zinc/67/09/05/379670905.db2.gz RNRSRYXHLRJFMG-JSGCOSHPSA-N 0 3 257.337 2.685 20 30 CFEDHN C[C@H]1CCCN(CCNc2ccc(Cl)c(C#N)n2)C1 ZINC000267241785 190314470 /nfs/dbraw/zinc/31/44/70/190314470.db2.gz RZJFQCXFURIQPI-NSHDSACASA-N 0 3 278.787 2.750 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2Cc3cccc(O)c3C2)c1F ZINC000335713585 379768197 /nfs/dbraw/zinc/76/81/97/379768197.db2.gz NISVTNOEIMBHBS-CQSZACIVSA-N 0 3 282.318 2.660 20 30 CFEDHN CC(C(=O)Nc1ccc(F)cc1C#N)C(F)(F)F ZINC000335738220 379808847 /nfs/dbraw/zinc/80/88/47/379808847.db2.gz NUZPEAQGUODSQZ-LURJTMIESA-N 0 3 260.190 2.834 20 30 CFEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)cn1 ZINC000267445444 190331057 /nfs/dbraw/zinc/33/10/57/190331057.db2.gz ZSMNUCAYRNDKKU-OAHLLOKOSA-N 0 3 282.347 2.795 20 30 CFEDHN N#Cc1ccc(CNCCCN2CCc3ccccc3C2)o1 ZINC000174256256 379852567 /nfs/dbraw/zinc/85/25/67/379852567.db2.gz CWIDZSJVCSNQLW-UHFFFAOYSA-N 0 3 295.386 2.689 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000174282388 379857590 /nfs/dbraw/zinc/85/75/90/379857590.db2.gz UUOPPRJNRSUXAK-MRXNPFEDSA-N 0 3 287.338 2.683 20 30 CFEDHN COc1ccc(CNC[C@H](O)C2CCCCC2)cc1C#N ZINC000174342949 379867568 /nfs/dbraw/zinc/86/75/68/379867568.db2.gz OCTGPNZTSQEWBA-INIZCTEOSA-N 0 3 288.391 2.598 20 30 CFEDHN C[C@H](CCc1cccn1C)NCc1ccc(C#N)o1 ZINC000174567580 379910833 /nfs/dbraw/zinc/91/08/33/379910833.db2.gz BEWLJAPDIUZFKS-GFCCVEGCSA-N 0 3 257.337 2.601 20 30 CFEDHN COc1cccc(O[C@@H](C)CNCc2ccc(C#N)o2)c1 ZINC000174587398 379914010 /nfs/dbraw/zinc/91/40/10/379914010.db2.gz LDLAIHQPOQOCOG-LBPRGKRZSA-N 0 3 286.331 2.717 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCCC2 ZINC000174654398 379924143 /nfs/dbraw/zinc/92/41/43/379924143.db2.gz OGNFVUZWJQTLIB-CABCVRRESA-N 0 3 274.364 2.979 20 30 CFEDHN C[C@@H](CCNCc1ccc(C#N)o1)NC(=O)OC(C)(C)C ZINC000174355658 379871497 /nfs/dbraw/zinc/87/14/97/379871497.db2.gz VAUZWTTUYIEYMG-NSHDSACASA-N 0 3 293.367 2.544 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000335143200 379982796 /nfs/dbraw/zinc/98/27/96/379982796.db2.gz DJFJLSGAKBLQMG-UFBFGSQYSA-N 0 3 293.164 2.712 20 30 CFEDHN Cc1cc(CN2[C@H](C)CC(O)C[C@H]2C)ccc1C#N ZINC000335838251 379972043 /nfs/dbraw/zinc/97/20/43/379972043.db2.gz VQJRMQNUDPWKNQ-CHWSQXEVSA-N 0 3 258.365 2.600 20 30 CFEDHN C=CCCCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000175388756 380055262 /nfs/dbraw/zinc/05/52/62/380055262.db2.gz IYEFRHTVJAEKAQ-UHFFFAOYSA-N 0 3 276.380 2.922 20 30 CFEDHN Cn1cc(CN2CC3(CCC3)[C@H]2C2CCOCC2)cc1C#N ZINC000335234295 380055599 /nfs/dbraw/zinc/05/55/99/380055599.db2.gz QPPUEKHVIWSBAO-QGZVFWFLSA-N 0 3 299.418 2.678 20 30 CFEDHN CC1(C2CCN(Cc3cccc(C#N)c3)CC2)OCCO1 ZINC000268115010 190378524 /nfs/dbraw/zinc/37/85/24/190378524.db2.gz MSXGAIXHOVYGIJ-UHFFFAOYSA-N 0 3 286.375 2.533 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000335914301 380099428 /nfs/dbraw/zinc/09/94/28/380099428.db2.gz KTDBXAWEROXMHP-RISCZKNCSA-N 0 3 286.379 2.651 20 30 CFEDHN CC(C#N)C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000335998311 380215404 /nfs/dbraw/zinc/21/54/04/380215404.db2.gz QGNDTVVUUVSEEP-GFCCVEGCSA-N 0 3 272.323 2.991 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC23CCC3)CC1 ZINC000336181911 380281717 /nfs/dbraw/zinc/28/17/17/380281717.db2.gz ASKCQOWOKDTBPH-UHFFFAOYSA-N 0 3 291.439 2.755 20 30 CFEDHN N#Cc1ccc(CNCCC(=O)Nc2ccccc2)s1 ZINC000176969079 380288824 /nfs/dbraw/zinc/28/88/24/380288824.db2.gz BAARNDJSKCHRFH-UHFFFAOYSA-N 0 3 285.372 2.738 20 30 CFEDHN Cc1ccc(C[C@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000336499060 380369440 /nfs/dbraw/zinc/36/94/40/380369440.db2.gz OBQOQTGFDWNMJP-UKRRQHHQSA-N 0 3 256.349 2.688 20 30 CFEDHN N#Cc1csc(CNCCc2ccccc2O)c1 ZINC000177694190 380369548 /nfs/dbraw/zinc/36/95/48/380369548.db2.gz FPFFITKVCOYOBA-UHFFFAOYSA-N 0 3 258.346 2.658 20 30 CFEDHN CCCC[C@@H](COC)NCc1cc(C#N)cs1 ZINC000177703792 380371238 /nfs/dbraw/zinc/37/12/38/380371238.db2.gz ODRZBJFHTJOJJJ-LBPRGKRZSA-N 0 3 252.383 2.915 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](C)c2cc(C)on2)CC1 ZINC000279079621 194274394 /nfs/dbraw/zinc/27/43/94/194274394.db2.gz AGGIAASYVDCVPS-ZDUSSCGKSA-N 0 3 263.385 2.674 20 30 CFEDHN N#Cc1c(CN2CC[C@@H]([C@H]3CCOC3)C2)cn2ccccc12 ZINC000336530376 380421738 /nfs/dbraw/zinc/42/17/38/380421738.db2.gz OBLLMQNWSJFQMA-CABCVRRESA-N 0 3 295.386 2.669 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]3COCC[C@@H]32)c1F ZINC000336619458 380560315 /nfs/dbraw/zinc/56/03/15/380560315.db2.gz RKOBHFJXRFOLTB-GJZGRUSLSA-N 0 3 274.339 2.698 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000181087197 380737098 /nfs/dbraw/zinc/73/70/98/380737098.db2.gz ZWYFAVBMHMPZEM-CABCVRRESA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000181540963 380821026 /nfs/dbraw/zinc/82/10/26/380821026.db2.gz HBWREZNYRQDNRY-ZDUSSCGKSA-N 0 3 282.343 2.993 20 30 CFEDHN CO[C@@H]1CCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000341253648 380867424 /nfs/dbraw/zinc/86/74/24/380867424.db2.gz DBWWNXNKBHNNRK-DZGCQCFKSA-N 0 3 262.328 2.602 20 30 CFEDHN Cc1cc(NC[C@@H](c2ccccc2)N(C)C)cc(C#N)n1 ZINC000341263107 380878784 /nfs/dbraw/zinc/87/87/84/380878784.db2.gz GDGQTMSKKDSBFQ-KRWDZBQOSA-N 0 3 280.375 2.977 20 30 CFEDHN Cc1nsc(N(C)CC[C@H]2CCCCN2C)c1C#N ZINC000288521376 197102284 /nfs/dbraw/zinc/10/22/84/197102284.db2.gz UAIYIEMRIUOJHV-GFCCVEGCSA-N 0 3 278.425 2.634 20 30 CFEDHN N#Cc1cccc(CN[C@@H](CCO)c2ccccc2)c1 ZINC000341230945 380847641 /nfs/dbraw/zinc/84/76/41/380847641.db2.gz UTRQHFWWDITCHK-KRWDZBQOSA-N 0 3 266.344 2.772 20 30 CFEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC000181659777 380856827 /nfs/dbraw/zinc/85/68/27/380856827.db2.gz WHSYPNWIAUKCQS-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN C[C@H](NCC1=CCN(C)CC1)c1ccc(C#N)cc1F ZINC000358561128 380926766 /nfs/dbraw/zinc/92/67/66/380926766.db2.gz FVPUUAXCHHIOQD-LBPRGKRZSA-N 0 3 273.355 2.610 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCS2)cc1F ZINC000404012721 380898167 /nfs/dbraw/zinc/89/81/67/380898167.db2.gz QEMNZJGQUGWKIV-LBPRGKRZSA-N 0 3 250.342 2.683 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCCCCC2)cc1F ZINC000404096635 380899975 /nfs/dbraw/zinc/89/99/75/380899975.db2.gz CBHOUKLSWJJAHP-UHFFFAOYSA-N 0 3 276.355 2.872 20 30 CFEDHN CCC(CC)[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000404111215 380900835 /nfs/dbraw/zinc/90/08/35/380900835.db2.gz JLXNIRPIVFMKHG-HNNXBMFYSA-N 0 3 264.344 2.584 20 30 CFEDHN CCCCOCCNCc1ccc(C#N)c(F)c1 ZINC000404254363 380902566 /nfs/dbraw/zinc/90/25/66/380902566.db2.gz MPYYZNANTRKKNV-UHFFFAOYSA-N 0 3 250.317 2.604 20 30 CFEDHN CC1(C#N)CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000407955307 380912796 /nfs/dbraw/zinc/91/27/96/380912796.db2.gz HSDORZIOXJMJBN-UHFFFAOYSA-N 0 3 275.396 2.713 20 30 CFEDHN COc1cccc(CCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358584976 380949538 /nfs/dbraw/zinc/94/95/38/380949538.db2.gz IBICFGZYXXIZIG-LBPRGKRZSA-N 0 3 299.349 2.994 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000341358824 380965201 /nfs/dbraw/zinc/96/52/01/380965201.db2.gz GRRVSGXHEXOURC-INIZCTEOSA-N 0 3 298.365 2.538 20 30 CFEDHN C[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)[C@H](C)O1 ZINC000295619671 380979070 /nfs/dbraw/zinc/97/90/70/380979070.db2.gz DVUVLUPLVHIRRW-TYNCELHUSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358570667 380938239 /nfs/dbraw/zinc/93/82/39/380938239.db2.gz NPCIYESBPZBQKW-NEPJUHHUSA-N 0 3 272.327 2.633 20 30 CFEDHN C=CCN(CCC1(O)CCC1)Cc1cccc(C#N)c1 ZINC000411187008 381014730 /nfs/dbraw/zinc/01/47/30/381014730.db2.gz APNMOPUXHHEGLI-UHFFFAOYSA-N 0 3 270.376 2.851 20 30 CFEDHN CC(=O)NCC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411181037 381016004 /nfs/dbraw/zinc/01/60/04/381016004.db2.gz DJRZDKNYXSHXQU-UHFFFAOYSA-N 0 3 291.439 2.699 20 30 CFEDHN CC(=O)NC[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411196762 381016737 /nfs/dbraw/zinc/01/67/37/381016737.db2.gz KDJCBORFUTYRNM-INIZCTEOSA-N 0 3 291.439 2.699 20 30 CFEDHN CC(C)[C@@H](C)NC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000411225234 381017878 /nfs/dbraw/zinc/01/78/78/381017878.db2.gz RRJSZKAGTQISQM-ZIAGYGMSSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(CCN(C)C[C@@H](C)C#N)CCN(C)C[C@@H](C)C#N ZINC000411225820 381018992 /nfs/dbraw/zinc/01/89/92/381018992.db2.gz MEZHXXGYSZIYHG-HOTGVXAUSA-N 0 3 278.444 2.586 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000411332132 381023889 /nfs/dbraw/zinc/02/38/89/381023889.db2.gz MYTIWPKDVXJTFQ-HZPDHXFCSA-N 0 3 299.418 2.821 20 30 CFEDHN C[C@H](CCC#N)N1CCC(Oc2ccccn2)CC1 ZINC000411373107 381023942 /nfs/dbraw/zinc/02/39/42/381023942.db2.gz GVBONJUHRVTRKP-CYBMUJFWSA-N 0 3 259.353 2.617 20 30 CFEDHN C[C@H](CCC#N)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000411547301 381031933 /nfs/dbraw/zinc/03/19/33/381031933.db2.gz VLNFFLLZQOPRMT-CQSZACIVSA-N 0 3 290.382 2.887 20 30 CFEDHN Cc1ccc(CNCCc2cccc(C#N)c2)nc1 ZINC000341462491 381026768 /nfs/dbraw/zinc/02/67/68/381026768.db2.gz OQHQZAWLSSTLLS-UHFFFAOYSA-N 0 3 251.333 2.594 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000411508302 381029462 /nfs/dbraw/zinc/02/94/62/381029462.db2.gz SDUDXRUFQABFPR-ZFWWWQNUSA-N 0 3 268.364 2.975 20 30 CFEDHN C=C(CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000288048667 380999942 /nfs/dbraw/zinc/99/99/42/380999942.db2.gz OYWAOJKWEGOPAG-SJORKVTESA-N 0 3 299.418 2.578 20 30 CFEDHN C#CCCOc1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000368516198 381051902 /nfs/dbraw/zinc/05/19/02/381051902.db2.gz BSIMCVJBSOVYIM-UHFFFAOYSA-N 0 3 285.387 2.844 20 30 CFEDHN C#C[C@@H](C)N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289575966 381052258 /nfs/dbraw/zinc/05/22/58/381052258.db2.gz SWMZHKGPLCIIPV-CHWSQXEVSA-N 0 3 292.810 2.688 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1cc(C#N)ccc1F)C1CC1 ZINC000411941446 381065557 /nfs/dbraw/zinc/06/55/57/381065557.db2.gz HFAXWRFIVLGMJB-BDJLRTHQSA-N 0 3 276.355 2.991 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347326766 381071436 /nfs/dbraw/zinc/07/14/36/381071436.db2.gz WXSSTJXBNXGSIG-DZGCQCFKSA-N 0 3 264.413 2.722 20 30 CFEDHN CC#CCCN1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000368485857 381040576 /nfs/dbraw/zinc/04/05/76/381040576.db2.gz KRLKPBMYQMXESY-QGZVFWFLSA-N 0 3 282.387 2.848 20 30 CFEDHN CCOc1cccc(CNCCc2cccc(C#N)c2)n1 ZINC000341484884 381043312 /nfs/dbraw/zinc/04/33/12/381043312.db2.gz LJNWAZZIOSZUHJ-UHFFFAOYSA-N 0 3 281.359 2.684 20 30 CFEDHN C#C[C@H](NCc1cnc2ccc(Cl)cn12)C(C)C ZINC000289652759 381086126 /nfs/dbraw/zinc/08/61/26/381086126.db2.gz YCEBPZMAESKRMP-ZDUSSCGKSA-N 0 3 261.756 2.735 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1Cc1ccc(C#N)s1 ZINC000289671479 381093715 /nfs/dbraw/zinc/09/37/15/381093715.db2.gz NPERKYAUSGPOQF-OLZOCXBDSA-N 0 3 275.421 2.678 20 30 CFEDHN COC1([C@H](C)NCc2ccc(F)c(C#N)c2)CCC1 ZINC000412021642 381096049 /nfs/dbraw/zinc/09/60/49/381096049.db2.gz NCLRBQBTBMBILY-NSHDSACASA-N 0 3 262.328 2.745 20 30 CFEDHN C#C[C@@H](C)NCc1cccc(OCC(F)(F)F)c1 ZINC000289679881 381099621 /nfs/dbraw/zinc/09/96/21/381099621.db2.gz ZPDUUPLPVVMYDG-SNVBAGLBSA-N 0 3 257.255 2.739 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)N[C@H](c1nncn1C)C(C)C ZINC000289683031 381100686 /nfs/dbraw/zinc/10/06/86/381100686.db2.gz ZTDWHPWQHMCNKC-XQQFMLRXSA-N 0 3 250.390 2.703 20 30 CFEDHN Cc1cc(N2CCN(CCC(C)(C)C)CC2)cc(C#N)n1 ZINC000341591738 381108582 /nfs/dbraw/zinc/10/85/82/381108582.db2.gz JMRXHJAEHKRJNB-UHFFFAOYSA-N 0 3 286.423 2.820 20 30 CFEDHN CC#CCCNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000354176581 381120874 /nfs/dbraw/zinc/12/08/74/381120874.db2.gz DPTFOJLWYHKRIP-UHFFFAOYSA-N 0 3 253.349 2.888 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1nccn1C)C(C)C ZINC000182371484 381075367 /nfs/dbraw/zinc/07/53/67/381075367.db2.gz MMLNETXDXWRDBE-JKSUJKDBSA-N 0 3 290.455 2.769 20 30 CFEDHN COc1cccc2c1CCN(CCCSCC#N)C2 ZINC000182687247 381138259 /nfs/dbraw/zinc/13/82/59/381138259.db2.gz NZXBIGLZMXNSKY-UHFFFAOYSA-N 0 3 276.405 2.700 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](O)CC(C)(C)C1 ZINC000295890171 381140157 /nfs/dbraw/zinc/14/01/57/381140157.db2.gz CODRTXCSHGNOKL-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000341711462 381184501 /nfs/dbraw/zinc/18/45/01/381184501.db2.gz WEQBFTCCIQGRAB-DTZQCDIJSA-N 0 3 268.360 2.941 20 30 CFEDHN C[C@H](N[C@H]1CCOC[C@H]1C)c1ccc(C#N)cc1F ZINC000358980139 381192558 /nfs/dbraw/zinc/19/25/58/381192558.db2.gz FHPSPHCQOLBMBR-ZETOZRRWSA-N 0 3 262.328 2.773 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](CC(C)C)C1 ZINC000342129601 381211832 /nfs/dbraw/zinc/21/18/32/381211832.db2.gz CCWDMZSUWSKDKW-HZPDHXFCSA-N 0 3 278.440 2.944 20 30 CFEDHN COCCOCc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000342135811 381213448 /nfs/dbraw/zinc/21/34/48/381213448.db2.gz LMDYVVSHKLZIGL-DLBZAZTESA-N 0 3 288.391 2.631 20 30 CFEDHN C#CCCOc1ccc(CN[C@H](C)[C@H](C)OC)cc1 ZINC000289914972 381216368 /nfs/dbraw/zinc/21/63/68/381216368.db2.gz VAQKETBHSMJWQG-KGLIPLIRSA-N 0 3 261.365 2.602 20 30 CFEDHN CO[C@@H]1CCN(CCOc2ccc(C#N)cc2)CC1(C)C ZINC000296130071 381268601 /nfs/dbraw/zinc/26/86/01/381268601.db2.gz SEWWNGUFFGEZDA-MRXNPFEDSA-N 0 3 288.391 2.684 20 30 CFEDHN C=CCc1cc(CN[C@@H]2C[C@H]2C(F)F)cc(OC)c1O ZINC000342203092 381220060 /nfs/dbraw/zinc/22/00/60/381220060.db2.gz HFHXEQJSZJEXQE-VXGBXAGGSA-N 0 3 283.318 2.873 20 30 CFEDHN C=CCC[C@@H](NCC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000342214047 381220796 /nfs/dbraw/zinc/22/07/96/381220796.db2.gz XYNGCSYNQXXBEF-GFCCVEGCSA-N 0 3 286.297 2.788 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000289931431 381223361 /nfs/dbraw/zinc/22/33/61/381223361.db2.gz VNMRGFYXMQKXCP-NEPJUHHUSA-N 0 3 296.798 2.502 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H]1C(F)F ZINC000342228069 381224212 /nfs/dbraw/zinc/22/42/12/381224212.db2.gz PLINXSSMQRDPIC-RYUDHWBXSA-N 0 3 253.292 2.995 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000342277587 381242778 /nfs/dbraw/zinc/24/27/78/381242778.db2.gz BBRNSVNRSOZQTF-KBPBESRZSA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@@H](c1ccc(F)cc1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000369387625 381248222 /nfs/dbraw/zinc/24/82/22/381248222.db2.gz CHBJCQPJPZIDKF-LBPRGKRZSA-N 0 3 299.353 2.687 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000354455937 381281090 /nfs/dbraw/zinc/28/10/90/381281090.db2.gz BRZMEWXWCKHJQR-ZDUSSCGKSA-N 0 3 251.289 2.584 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000354457484 381282934 /nfs/dbraw/zinc/28/29/34/381282934.db2.gz XZPCPVQXJGYKHG-GASCZTMLSA-N 0 3 274.408 2.776 20 30 CFEDHN C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1cccc(C#N)c1 ZINC000290192071 381336327 /nfs/dbraw/zinc/33/63/27/381336327.db2.gz FYVOYLDVDWMSQO-XZOAIXRZSA-N 0 3 294.354 2.703 20 30 CFEDHN C#C[C@H](NCc1ccc(-n2cncn2)c(C)c1)C(C)(C)C ZINC000290273781 381367008 /nfs/dbraw/zinc/36/70/08/381367008.db2.gz YFRBGBYZMYRDLE-INIZCTEOSA-N 0 3 282.391 2.713 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nccc(C#N)c1Cl ZINC000342512600 381369445 /nfs/dbraw/zinc/36/94/45/381369445.db2.gz OXMAVFNOMPNPLL-OLZOCXBDSA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@@H]1COCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000370054259 381373894 /nfs/dbraw/zinc/37/38/94/381373894.db2.gz VKVPXOMQXVMDQN-HNNXBMFYSA-N 0 3 287.407 2.505 20 30 CFEDHN C=CCCCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290554427 381478098 /nfs/dbraw/zinc/47/80/98/381478098.db2.gz PAWFVSRGANHYMV-HNNXBMFYSA-N 0 3 278.371 2.901 20 30 CFEDHN CC(C)[C@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348062235 381460842 /nfs/dbraw/zinc/46/08/42/381460842.db2.gz CIFCHEBKZGJTJW-XJKSGUPXSA-N 0 3 283.375 2.743 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNC(=O)C1(C#N)CCC1)c1ccco1 ZINC000359551495 381463969 /nfs/dbraw/zinc/46/39/69/381463969.db2.gz FKSKUMFIBGUAMD-OLZOCXBDSA-N 0 3 289.379 2.519 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359556285 381467266 /nfs/dbraw/zinc/46/72/66/381467266.db2.gz LXWAHFJZJLTJMJ-ZMSDIMECSA-N 0 3 291.439 2.507 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000342741328 381512192 /nfs/dbraw/zinc/51/21/92/381512192.db2.gz UHZVXCUZQJGXSL-AWEZNQCLSA-N 0 3 260.381 2.508 20 30 CFEDHN CN(C)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000348340840 381517252 /nfs/dbraw/zinc/51/72/52/381517252.db2.gz YDSUUWFDVIEIDI-RCBQFDQVSA-N 0 3 275.371 2.710 20 30 CFEDHN COC[C@@]1(C)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000296654361 381491848 /nfs/dbraw/zinc/49/18/48/381491848.db2.gz JGLKUCINEHSFJD-CJNGLKHVSA-N 0 3 258.365 2.978 20 30 CFEDHN CC#CCCCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000184914483 381495020 /nfs/dbraw/zinc/49/50/20/381495020.db2.gz LHYZGUMDDKBPMQ-MRXNPFEDSA-N 0 3 272.392 2.599 20 30 CFEDHN C=CCCN(C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000342717388 381495317 /nfs/dbraw/zinc/49/53/17/381495317.db2.gz FNVYFBHPKBESKW-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000342720268 381497497 /nfs/dbraw/zinc/49/74/97/381497497.db2.gz KPHXQLBPEDMDAH-BYNSBNAKSA-N 0 3 266.429 2.824 20 30 CFEDHN CN(CCNc1cccnc1C#N)Cc1ccc(F)cc1 ZINC000290767646 381544749 /nfs/dbraw/zinc/54/47/49/381544749.db2.gz LBMPRAMNINQXIE-UHFFFAOYSA-N 0 3 284.338 2.636 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)[C@](C)(C#N)CC ZINC000342794261 381546163 /nfs/dbraw/zinc/54/61/63/381546163.db2.gz KXYJVKOIXWFRSQ-INIZCTEOSA-N 0 3 279.428 2.651 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1CCCCN1CC ZINC000359677092 381549174 /nfs/dbraw/zinc/54/91/74/381549174.db2.gz GDWYLXXHONBCRA-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN Cn1cc(CNCCc2ccc(F)c(F)c2F)cc1C#N ZINC000359676855 381549274 /nfs/dbraw/zinc/54/92/74/381549274.db2.gz TVDAKUKGCYXCNM-UHFFFAOYSA-N 0 3 293.292 2.646 20 30 CFEDHN C[C@@H](CC(F)(F)F)NCc1cnc2ccc(C#N)cn12 ZINC000342769845 381528645 /nfs/dbraw/zinc/52/86/45/381528645.db2.gz UJDOBOLVMDMDIX-VIFPVBQESA-N 0 3 282.269 2.636 20 30 CFEDHN CC(C)NC(=O)[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000414342224 381579887 /nfs/dbraw/zinc/57/98/87/381579887.db2.gz LYHTUKHPRFILGE-DYVFJYSZSA-N 0 3 299.418 2.828 20 30 CFEDHN CCNC(=O)C[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000342843460 381580899 /nfs/dbraw/zinc/58/08/99/381580899.db2.gz RQGCXMMPOWQPLV-CYBMUJFWSA-N 0 3 291.420 2.500 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810136 381559174 /nfs/dbraw/zinc/55/91/74/381559174.db2.gz OUGTXQZAHHVHDI-SUMWQHHRSA-N 0 3 281.403 2.620 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414108426 381561646 /nfs/dbraw/zinc/56/16/46/381561646.db2.gz LRTMPLXGVGGVDU-HIFRSBDPSA-N 0 3 292.810 2.868 20 30 CFEDHN C=CCC[C@@H](NCc1ccccc1S(C)(=O)=O)C1CC1 ZINC000414229093 381571543 /nfs/dbraw/zinc/57/15/43/381571543.db2.gz DZVSWJOWUATLHD-OAHLLOKOSA-N 0 3 293.432 2.925 20 30 CFEDHN Cc1cc(NC(=O)CCN[C@H](C)c2ccc(C#N)cc2)no1 ZINC000298395464 381605759 /nfs/dbraw/zinc/60/57/59/381605759.db2.gz ILSZXMPBDFDWMZ-GFCCVEGCSA-N 0 3 298.346 2.534 20 30 CFEDHN N#Cc1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)ccc1F ZINC000348522402 381606431 /nfs/dbraw/zinc/60/64/31/381606431.db2.gz XERZNEJJJURSDY-OLZOCXBDSA-N 0 3 284.281 2.947 20 30 CFEDHN C=CCCCS(=O)(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000414464348 381586953 /nfs/dbraw/zinc/58/69/53/381586953.db2.gz MNCQDMCIMVBETH-UHFFFAOYSA-N 0 3 296.436 2.765 20 30 CFEDHN CCc1nc(CCNCc2cc(C#N)n(C)c2)sc1C ZINC000359743787 381592007 /nfs/dbraw/zinc/59/20/07/381592007.db2.gz ZAZKETBULYFPJC-UHFFFAOYSA-N 0 3 288.420 2.556 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](CO)[C@H]2C)c1 ZINC000414579951 381594841 /nfs/dbraw/zinc/59/48/41/381594841.db2.gz QHEZHDPWSIJRQE-ZBFHGGJFSA-N 0 3 275.392 2.844 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1CC2CCC1CC2 ZINC000371392677 381612603 /nfs/dbraw/zinc/61/26/03/381612603.db2.gz KQJFTICXZCZCEQ-UHFFFAOYSA-N 0 3 289.404 2.823 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348537383 381617913 /nfs/dbraw/zinc/61/79/13/381617913.db2.gz SUSYUUXVOKPLIZ-OLZOCXBDSA-N 0 3 284.281 2.947 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000355117927 381623244 /nfs/dbraw/zinc/62/32/44/381623244.db2.gz ZIZMXFIQHXTFLS-ZFWWWQNUSA-N 0 3 256.349 2.941 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000348546718 381626320 /nfs/dbraw/zinc/62/63/20/381626320.db2.gz NHBMIZKLVIVJNM-NWDGAFQWSA-N 0 3 292.345 2.809 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cccc(C#N)n1 ZINC000185420590 381628222 /nfs/dbraw/zinc/62/82/22/381628222.db2.gz FHJCYPZRMLNGCE-YOEHRIQHSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1sccc1C#N ZINC000185420133 381628506 /nfs/dbraw/zinc/62/85/06/381628506.db2.gz JPGPPWNRCSXMQS-LBPRGKRZSA-N 0 3 291.420 2.614 20 30 CFEDHN C=CCOc1ccc(CN2CCN(CC)C[C@H]2C)cc1 ZINC000348556820 381634191 /nfs/dbraw/zinc/63/41/91/381634191.db2.gz PWGPGOPCXJXMQH-OAHLLOKOSA-N 0 3 274.408 2.777 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(F)ccc1OC ZINC000291017935 381634963 /nfs/dbraw/zinc/63/49/63/381634963.db2.gz GHRQQZGQUCHJHJ-MLGOLLRUSA-N 0 3 279.355 2.905 20 30 CFEDHN C=CCN(C(=O)CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371591655 381662543 /nfs/dbraw/zinc/66/25/43/381662543.db2.gz VNWFWHHELZVCSC-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN CC[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H]1O ZINC000355190280 381664467 /nfs/dbraw/zinc/66/44/67/381664467.db2.gz PNLLKDCJKAWMEB-DOTOQJQBSA-N 0 3 288.391 2.572 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN(c3ccccc3F)C2)o1 ZINC000291059394 381651608 /nfs/dbraw/zinc/65/16/08/381651608.db2.gz OYBAQHLAFNYNCA-CYBMUJFWSA-N 0 3 299.349 2.906 20 30 CFEDHN C/C=C/C=C/C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000298500603 381651604 /nfs/dbraw/zinc/65/16/04/381651604.db2.gz NLVZZRYWGAEPKE-YTXTXJHMSA-N 0 3 297.402 2.581 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(C1)CCCCCC2 ZINC000371862641 381711865 /nfs/dbraw/zinc/71/18/65/381711865.db2.gz GKOKUNIRZNOOFK-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CCN(CC1CCN(c2ccccn2)CC1)CC1(C#N)CC1 ZINC000343322405 381674723 /nfs/dbraw/zinc/67/47/23/381674723.db2.gz QHYXKKAHSLRTNG-UHFFFAOYSA-N 0 3 298.434 2.924 20 30 CFEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298649289 381700043 /nfs/dbraw/zinc/70/00/43/381700043.db2.gz LLGMJMDXZHFRHE-KRWDZBQOSA-N 0 3 299.418 2.645 20 30 CFEDHN CN(CC[C@H]1CCCO1)Cc1ccc(C#N)s1 ZINC000343471976 381737148 /nfs/dbraw/zinc/73/71/48/381737148.db2.gz PYTORBVFBCJTLU-LLVKDONJSA-N 0 3 250.367 2.621 20 30 CFEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2cccc(F)c2)C1 ZINC000185803072 381737687 /nfs/dbraw/zinc/73/76/87/381737687.db2.gz SSNYNFJELQFZJO-TUKIKUTGSA-N 0 3 262.328 2.531 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000343478388 381741485 /nfs/dbraw/zinc/74/14/85/381741485.db2.gz QPBRWUOIBIIWEJ-ZYHUDNBSSA-N 0 3 292.814 2.834 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H](CO)C/C=C/C)cc1 ZINC000185815617 381744050 /nfs/dbraw/zinc/74/40/50/381744050.db2.gz MOYKZKIXXUYPAB-LLCTXKFZSA-N 0 3 273.376 2.505 20 30 CFEDHN C[C@@H]1CCC[C@H](CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360062008 381759192 /nfs/dbraw/zinc/75/91/92/381759192.db2.gz URZNFVWTZGUEIU-CKEIUWERSA-N 0 3 299.418 2.891 20 30 CFEDHN CCN(CC(=O)NCc1cccc(C#N)c1)[C@H](C)C(C)C ZINC000348869018 381746807 /nfs/dbraw/zinc/74/68/07/381746807.db2.gz WEKQFVPVETWFJI-CQSZACIVSA-N 0 3 287.407 2.541 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000185838215 381752162 /nfs/dbraw/zinc/75/21/62/381752162.db2.gz CYZZCIJYETWMKG-DOTOQJQBSA-N 0 3 298.430 2.815 20 30 CFEDHN N#CCC1(CN[C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343497736 381752597 /nfs/dbraw/zinc/75/25/97/381752597.db2.gz RLMPLOHBYJICEP-CQSZACIVSA-N 0 3 259.328 2.955 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000372109756 381754089 /nfs/dbraw/zinc/75/40/89/381754089.db2.gz VPDFNSCNULAUAB-HNNXBMFYSA-N 0 3 288.391 2.815 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000372109757 381754192 /nfs/dbraw/zinc/75/41/92/381754192.db2.gz VPDFNSCNULAUAB-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN C[C@H](C(=O)NCCN1CCC(C)CC1)c1cccc(C#N)c1 ZINC000360005867 381722286 /nfs/dbraw/zinc/72/22/86/381722286.db2.gz JUEIDGXINGMSKD-HNNXBMFYSA-N 0 3 299.418 2.510 20 30 CFEDHN C=C(C)CN(CC)Cc1cc(C(=O)OC)c(C)n1C ZINC000291251613 381724846 /nfs/dbraw/zinc/72/48/46/381724846.db2.gz RLMVDCWEEISXKT-UHFFFAOYSA-N 0 3 264.369 2.518 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1CCC ZINC000343563152 381800059 /nfs/dbraw/zinc/80/00/59/381800059.db2.gz GGUGFJICWCIDLM-ZFWWWQNUSA-N 0 3 252.402 2.579 20 30 CFEDHN CN(C)C[C@@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355549313 381782541 /nfs/dbraw/zinc/78/25/41/381782541.db2.gz VOXHKBQSZBUTPC-SJORKVTESA-N 0 3 299.418 2.627 20 30 CFEDHN CC#CCCNCc1c(C(C)C)nc2sc(C)nn12 ZINC000360969531 381797689 /nfs/dbraw/zinc/79/76/89/381797689.db2.gz SPDFUSPVRZMDQB-UHFFFAOYSA-N 0 3 276.409 2.726 20 30 CFEDHN COC(=O)[C@H](C)CN(Cc1ccc(CC#N)cc1)C1CC1 ZINC000343522764 381771124 /nfs/dbraw/zinc/77/11/24/381771124.db2.gz HDQJKJPBMAAKPR-CYBMUJFWSA-N 0 3 286.375 2.526 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000343529183 381776705 /nfs/dbraw/zinc/77/67/05/381776705.db2.gz MFLBGDWTPBMSIG-UONOGXRCSA-N 0 3 298.308 2.640 20 30 CFEDHN C#CCN(CC)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000299151576 381844617 /nfs/dbraw/zinc/84/46/17/381844617.db2.gz FPPJVIVMFNZGOD-BBRMVZONSA-N 0 3 295.810 2.734 20 30 CFEDHN CCN(CC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000349122823 381827600 /nfs/dbraw/zinc/82/76/00/381827600.db2.gz KQYYBHNKMIWWHY-UHFFFAOYSA-N 0 3 299.418 2.829 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000361465612 381832324 /nfs/dbraw/zinc/83/23/24/381832324.db2.gz DKAOHSUAIXXURZ-BBRMVZONSA-N 0 3 279.428 2.551 20 30 CFEDHN C#CCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000361538767 381840470 /nfs/dbraw/zinc/84/04/70/381840470.db2.gz PEUMZLOZKUJNKC-OAHLLOKOSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCOc1ccc(CN(CC)[C@H]2CCOC2)cc1 ZINC000361235622 381813069 /nfs/dbraw/zinc/81/30/69/381813069.db2.gz DCHDLBDULHIJTR-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C)[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416339123 381887300 /nfs/dbraw/zinc/88/73/00/381887300.db2.gz GEJVXWYGCHUSTE-SJORKVTESA-N 0 3 299.418 2.638 20 30 CFEDHN CC[C@@H]1CN(Cc2ccc(C#N)c(C)c2)CCCO1 ZINC000343687363 381887592 /nfs/dbraw/zinc/88/75/92/381887592.db2.gz YDDDOMYVCYQECZ-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN C=C(CC)CN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361611065 381848784 /nfs/dbraw/zinc/84/87/84/381848784.db2.gz PBNCBUBSKUQPJL-HNNXBMFYSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CCCC1(C(=O)NC[C@H]2CCCN2CCC)CC1 ZINC000343630210 381853842 /nfs/dbraw/zinc/85/38/42/381853842.db2.gz PSRVOROFSBTNKY-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN N#Cc1ccc(CNCc2ccc3c(c2)COC3)cc1 ZINC000343632471 381855874 /nfs/dbraw/zinc/85/58/74/381855874.db2.gz SPBRZLMBVFUDLC-UHFFFAOYSA-N 0 3 264.328 2.878 20 30 CFEDHN C[C@H](F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000356712042 381861088 /nfs/dbraw/zinc/86/10/88/381861088.db2.gz BYDDJOKKOBBANM-JSGCOSHPSA-N 0 3 262.328 2.623 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000299230975 381865576 /nfs/dbraw/zinc/86/55/76/381865576.db2.gz GSNJMCNVTSPCEX-FVNWOWOISA-N 0 3 299.418 2.664 20 30 CFEDHN CNCc1cccc(NC(=O)NCC(C)(C)CCC#N)c1 ZINC000415930298 381870757 /nfs/dbraw/zinc/87/07/57/381870757.db2.gz KDVHHAXGPOJHHV-UHFFFAOYSA-N 0 3 288.395 2.857 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCC[C@@H](N2CCCCC2)C1 ZINC000372803694 381872189 /nfs/dbraw/zinc/87/21/89/381872189.db2.gz LEADABWUKPIGDU-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCCCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416012046 381873118 /nfs/dbraw/zinc/87/31/18/381873118.db2.gz QIRRXQYFLJAAFD-UHFFFAOYSA-N 0 3 259.353 2.768 20 30 CFEDHN C/C=C/C[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000349378669 381915699 /nfs/dbraw/zinc/91/56/99/381915699.db2.gz MASKHUCTYSCHHG-NAGRZINJSA-N 0 3 262.328 2.675 20 30 CFEDHN C=CCOCCCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000343736020 381915762 /nfs/dbraw/zinc/91/57/62/381915762.db2.gz HGWQAHSZSQKJSZ-HOTGVXAUSA-N 0 3 279.355 2.526 20 30 CFEDHN Cn1cccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362141633 381926428 /nfs/dbraw/zinc/92/64/28/381926428.db2.gz YCSVQUYAXCZEPD-JTQLQIEISA-N 0 3 293.248 2.929 20 30 CFEDHN N#Cc1ccc(CNCCc2cccc(C(F)(F)F)n2)o1 ZINC000292984776 381935738 /nfs/dbraw/zinc/93/57/38/381935738.db2.gz NKLIQWRAUCCLBL-UHFFFAOYSA-N 0 3 295.264 2.897 20 30 CFEDHN CC(C)N1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186535123 381939785 /nfs/dbraw/zinc/93/97/85/381939785.db2.gz FBWUTBPENLNLBB-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN C=C[C@H](CC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000186741891 382000639 /nfs/dbraw/zinc/00/06/39/382000639.db2.gz QCFDAOJRFAVPFF-OAHLLOKOSA-N 0 3 286.419 2.899 20 30 CFEDHN C[C@H](CN[C@@H]1CCC[C@@H]1C#N)CC1CCOCC1 ZINC000350353886 382012078 /nfs/dbraw/zinc/01/20/78/382012078.db2.gz JZDHLTMLGLNAIL-NWANDNLSSA-N 0 3 250.386 2.721 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000343854302 381983435 /nfs/dbraw/zinc/98/34/35/381983435.db2.gz ITFPWKOVLJKIME-OAGGEKHMSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2)CCCO1 ZINC000293090919 381986608 /nfs/dbraw/zinc/98/66/08/381986608.db2.gz KJLPULXOXOKAHW-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000186700165 381989762 /nfs/dbraw/zinc/98/97/62/381989762.db2.gz LUAKNGVTUXBUFE-GHMZBOCLSA-N 0 3 299.798 2.945 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000349822963 381993356 /nfs/dbraw/zinc/99/33/56/381993356.db2.gz RFGMLMKMUSQHBZ-PWSUYJOCSA-N 0 3 292.766 2.893 20 30 CFEDHN C[C@@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000293240845 382044893 /nfs/dbraw/zinc/04/48/93/382044893.db2.gz ZUALJCCAGBNZNE-MNOVXSKESA-N 0 3 291.782 2.880 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2COCc3ccccc32)C1 ZINC000417340597 382045935 /nfs/dbraw/zinc/04/59/35/382045935.db2.gz APRYGHFNUHFTHY-IVMMDQJWSA-N 0 3 256.349 2.930 20 30 CFEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)C(C)C#N ZINC000343980073 382046051 /nfs/dbraw/zinc/04/60/51/382046051.db2.gz RAHDPZIVTSXWPV-DRPJVOAASA-N 0 3 286.375 2.614 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OCC)cc1 ZINC000351615985 382047926 /nfs/dbraw/zinc/04/79/26/382047926.db2.gz PCZJZPBWEGCNSA-OAHLLOKOSA-N 0 3 263.381 2.844 20 30 CFEDHN N#CCCCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000374738587 382053865 /nfs/dbraw/zinc/05/38/65/382053865.db2.gz PQKVGSBHYZIXLW-AWEZNQCLSA-N 0 3 254.337 2.587 20 30 CFEDHN C=CC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417788268 382070022 /nfs/dbraw/zinc/07/00/22/382070022.db2.gz GLKUZONUTHYPPN-UHFFFAOYSA-N 0 3 272.392 2.786 20 30 CFEDHN C=CCOc1cccc(CNC[C@@H](OC)C2CC2)c1 ZINC000293172164 382018094 /nfs/dbraw/zinc/01/80/94/382018094.db2.gz WGHCXXWMSAICSR-MRXNPFEDSA-N 0 3 261.365 2.766 20 30 CFEDHN CN(C)[C@@H](CNc1ccnc(C#N)c1)c1cccs1 ZINC000299706606 382031786 /nfs/dbraw/zinc/03/17/86/382031786.db2.gz ZRHZMVBHFWEOSI-ZDUSSCGKSA-N 0 3 272.377 2.730 20 30 CFEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C2CC2)O1 ZINC000374075786 382033452 /nfs/dbraw/zinc/03/34/52/382033452.db2.gz WXCROLGIWGMZCT-GOEBONIOSA-N 0 3 292.423 2.586 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](C2CC2)O1 ZINC000374075788 382033554 /nfs/dbraw/zinc/03/35/54/382033554.db2.gz WXCROLGIWGMZCT-ZBFHGGJFSA-N 0 3 292.423 2.586 20 30 CFEDHN C[C@@H]1C[C@@H]1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000351472495 382039338 /nfs/dbraw/zinc/03/93/38/382039338.db2.gz PAHYPBVGRMUXQY-DJIMGWMZSA-N 0 3 269.392 2.525 20 30 CFEDHN C[C@@H]1C[C@@H]1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000351472497 382040365 /nfs/dbraw/zinc/04/03/65/382040365.db2.gz PAHYPBVGRMUXQY-OIISXLGYSA-N 0 3 269.392 2.525 20 30 CFEDHN CC#CCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418037897 382113568 /nfs/dbraw/zinc/11/35/68/382113568.db2.gz YACYOVJNKVDFPF-KRWDZBQOSA-N 0 3 295.386 2.552 20 30 CFEDHN CCN1CCc2c(cccc2NC(=O)[C@@](C)(C#N)CC)C1 ZINC000376057692 382118885 /nfs/dbraw/zinc/11/88/85/382118885.db2.gz NRYMHPFWRZIVIB-QGZVFWFLSA-N 0 3 285.391 2.943 20 30 CFEDHN Cc1cc(CCNC2CC(C#N)(c3ccccc3)C2)on1 ZINC000376121568 382121623 /nfs/dbraw/zinc/12/16/23/382121623.db2.gz YWMXJSWNZFSRBA-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000293320154 382077904 /nfs/dbraw/zinc/07/79/04/382077904.db2.gz ZQTKOBYATVRBGZ-CYBMUJFWSA-N 0 3 279.428 2.538 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344054570 382096643 /nfs/dbraw/zinc/09/66/43/382096643.db2.gz JEUUBXFLUIEBFB-CQSZACIVSA-N 0 3 264.413 2.555 20 30 CFEDHN C=CCN1CCC(Nc2nnc(CC)c(CC)c2C#N)CC1 ZINC000301614514 382182468 /nfs/dbraw/zinc/18/24/68/382182468.db2.gz IEIBIQWWZMYYPB-UHFFFAOYSA-N 0 3 299.422 2.535 20 30 CFEDHN CC1CCC(N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000301279733 382135013 /nfs/dbraw/zinc/13/50/13/382135013.db2.gz NOIQLVXGPOQIJC-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN C[C@H](NCCNC(=O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000344112567 382135159 /nfs/dbraw/zinc/13/51/59/382135159.db2.gz UWEFUPKOSPLFQI-AWEZNQCLSA-N 0 3 299.418 2.905 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)CCC1 ZINC000376451521 382135429 /nfs/dbraw/zinc/13/54/29/382135429.db2.gz WEBSAXQPNHJCST-CABCVRRESA-N 0 3 276.424 2.818 20 30 CFEDHN C[C@@H]1CC[C@@H](CN(C)CCOCc2ccc(C#N)cc2)O1 ZINC000344132809 382149552 /nfs/dbraw/zinc/14/95/52/382149552.db2.gz XGYAMMDTZYNKRP-PBHICJAKSA-N 0 3 288.391 2.574 20 30 CFEDHN CN(CCc1ccccc1O)Cc1cccc(C#N)c1 ZINC000344163714 382173353 /nfs/dbraw/zinc/17/33/53/382173353.db2.gz MYZWIAQRLVNZJI-UHFFFAOYSA-N 0 3 266.344 2.938 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CC2)C1 ZINC000362701023 382204918 /nfs/dbraw/zinc/20/49/18/382204918.db2.gz DVPWOEMPHMHZGE-SWLSCSKDSA-N 0 3 283.375 2.617 20 30 CFEDHN C[C@H](CN1CCCCCC1)NCc1cc(C#N)cs1 ZINC000187565368 382211479 /nfs/dbraw/zinc/21/14/79/382211479.db2.gz RONMNTWKIPTLNN-CYBMUJFWSA-N 0 3 277.437 2.974 20 30 CFEDHN C[C@H](CN1CCCCCC1)NCc1ccc(C#N)o1 ZINC000187567775 382212270 /nfs/dbraw/zinc/21/22/70/382212270.db2.gz IRGMCIMPCZDVHN-CYBMUJFWSA-N 0 3 261.369 2.505 20 30 CFEDHN C=C(CC)CN(C)CCn1cc(Br)cn1 ZINC000344236099 382219878 /nfs/dbraw/zinc/21/98/78/382219878.db2.gz VOSMKJWAXQKXFT-UHFFFAOYSA-N 0 3 272.190 2.544 20 30 CFEDHN COC1(CNCc2cccc(C#N)c2)CCCCC1 ZINC000187452178 382186257 /nfs/dbraw/zinc/18/62/57/382186257.db2.gz MIWACBVAQZBGSF-UHFFFAOYSA-N 0 3 258.365 2.997 20 30 CFEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)[C@H]1CC1(C)C ZINC000419320216 382283654 /nfs/dbraw/zinc/28/36/54/382283654.db2.gz PSLDILKRAGTEDO-NEPJUHHUSA-N 0 3 291.420 2.973 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC000345108562 382285577 /nfs/dbraw/zinc/28/55/77/382285577.db2.gz URUVHUCMOFXZFJ-INIZCTEOSA-N 0 3 256.349 2.583 20 30 CFEDHN Cc1ccccc1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345152914 382288642 /nfs/dbraw/zinc/28/86/42/382288642.db2.gz ZDCCETNRQXUURU-ZIAGYGMSSA-N 0 3 285.391 2.597 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000344275701 382244983 /nfs/dbraw/zinc/24/49/83/382244983.db2.gz NVRAENRMVLVNOR-KRWDZBQOSA-N 0 3 272.392 2.851 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000344275703 382245791 /nfs/dbraw/zinc/24/57/91/382245791.db2.gz NVRAENRMVLVNOR-QGZVFWFLSA-N 0 3 272.392 2.851 20 30 CFEDHN COCCCC[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000352361573 382290628 /nfs/dbraw/zinc/29/06/28/382290628.db2.gz RUUMGCIGJLDNFA-DZGCQCFKSA-N 0 3 274.364 2.820 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C)(CO)CC1 ZINC000187725226 382258508 /nfs/dbraw/zinc/25/85/08/382258508.db2.gz BHCAZSPIBVGQNE-CYBMUJFWSA-N 0 3 258.365 2.714 20 30 CFEDHN CCN(C[C@H](O)CSC)[C@@H](C)c1ccc(C#N)cc1 ZINC000187756071 382262977 /nfs/dbraw/zinc/26/29/77/382262977.db2.gz LNCRDTRVSYJPNQ-WFASDCNBSA-N 0 3 278.421 2.665 20 30 CFEDHN C=C(C)[C@@H](NC[C@H](O)CC)c1ccc(F)c(F)c1 ZINC000187766623 382263826 /nfs/dbraw/zinc/26/38/26/382263826.db2.gz XRXIAULFSDEDHA-BXUZGUMPSA-N 0 3 255.308 2.943 20 30 CFEDHN N#Cc1cccc(CN[C@H]2COc3ccc(F)cc3C2)c1 ZINC000377406387 382268194 /nfs/dbraw/zinc/26/81/94/382268194.db2.gz YTGCDFIZPMAMDG-MRXNPFEDSA-N 0 3 282.318 2.791 20 30 CFEDHN N#CC(C(=O)Nc1cccc2ccccc21)c1ccncn1 ZINC000352306708 382268894 /nfs/dbraw/zinc/26/88/94/382268894.db2.gz OYAVPTBSJCUXTM-AWEZNQCLSA-N 0 3 288.310 2.876 20 30 CFEDHN C=CCOCCN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000293769910 382272241 /nfs/dbraw/zinc/27/22/41/382272241.db2.gz KUZNCXISXNBGEC-UHFFFAOYSA-N 0 3 277.364 2.568 20 30 CFEDHN CN1CC[C@@H]2CCN(c3cc(Cl)ccc3C#N)C[C@H]21 ZINC000364311117 382303444 /nfs/dbraw/zinc/30/34/44/382303444.db2.gz VOWGLMAFYDNVDJ-IAQYHMDHSA-N 0 3 275.783 2.742 20 30 CFEDHN CCCC[C@@H](C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000352405432 382311729 /nfs/dbraw/zinc/31/17/29/382311729.db2.gz AQQVVHAEPYGDDK-CQSZACIVSA-N 0 3 287.407 2.685 20 30 CFEDHN CCCCOc1ccc(CCNC(=O)C(C)C#N)cc1 ZINC000345782390 382313482 /nfs/dbraw/zinc/31/34/82/382313482.db2.gz NULROIBRADJBIA-CYBMUJFWSA-N 0 3 274.364 2.684 20 30 CFEDHN CC#CCCN1CCC[C@H]1COc1cccnc1C ZINC000419393108 382315288 /nfs/dbraw/zinc/31/52/88/382315288.db2.gz PHCKBHXWCSWYRE-HNNXBMFYSA-N 0 3 258.365 2.647 20 30 CFEDHN CC(C)Oc1cccc([C@H](C)NC(=O)C(C)C#N)c1 ZINC000345816970 382315807 /nfs/dbraw/zinc/31/58/07/382315807.db2.gz OKDSLRXZFODUCB-RYUDHWBXSA-N 0 3 260.337 2.811 20 30 CFEDHN Cc1sccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000293878885 382318854 /nfs/dbraw/zinc/31/88/54/382318854.db2.gz JOZRJBUZKZSASK-HNNXBMFYSA-N 0 3 299.399 2.977 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)Cc2ccccc2C#N)C1 ZINC000188012262 382325012 /nfs/dbraw/zinc/32/50/12/382325012.db2.gz XZTZCJWFXLFSDH-XJKSGUPXSA-N 0 3 258.365 2.541 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346136154 382332185 /nfs/dbraw/zinc/33/21/85/382332185.db2.gz DSDMBSGTRQLYPW-KCYZZUKISA-N 0 3 278.440 2.777 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OCc2ccccc2)cc1 ZINC000352447184 382337304 /nfs/dbraw/zinc/33/73/04/382337304.db2.gz JEMAJBUNLYMTQE-KRWDZBQOSA-N 0 3 283.371 2.902 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1cncc(C)n1)C(C)C ZINC000346237023 382337637 /nfs/dbraw/zinc/33/76/37/382337637.db2.gz MVZGPGOJYCVVTG-OAHLLOKOSA-N 0 3 274.412 2.896 20 30 CFEDHN CN(C)C1(CN(C)C(=O)/C=C/c2ccccc2C#N)CCC1 ZINC000188067750 382338461 /nfs/dbraw/zinc/33/84/61/382338461.db2.gz VLDQIZPLYCZFFH-MDZDMXLPSA-N 0 3 297.402 2.514 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(C(F)(F)F)cc1C ZINC000352472500 382351632 /nfs/dbraw/zinc/35/16/32/382351632.db2.gz FTJKBQOMRREYFU-GFCCVEGCSA-N 0 3 259.271 2.650 20 30 CFEDHN Cn1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1C#N ZINC000377835488 382353203 /nfs/dbraw/zinc/35/32/03/382353203.db2.gz UKHZQGPAMJOTHP-GJZGRUSLSA-N 0 3 287.407 2.535 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)o1 ZINC000377831675 382353818 /nfs/dbraw/zinc/35/38/18/382353818.db2.gz ALWQWDKKLFHSOC-UONOGXRCSA-N 0 3 274.364 2.790 20 30 CFEDHN C=CCc1cc(CNCCOC(C)C)cc(OC)c1O ZINC000680485963 542330662 /nfs/dbraw/zinc/33/06/62/542330662.db2.gz UGZYWRKHSOYEON-UHFFFAOYSA-N 0 3 279.380 2.644 20 30 CFEDHN N#Cc1cccc(OCCN2CCC(c3c[nH]cn3)CC2)c1 ZINC000378058985 382391794 /nfs/dbraw/zinc/39/17/94/382391794.db2.gz MOUYOIJWRMCIPA-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN Cn1cc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cc1C#N ZINC000377796439 382347703 /nfs/dbraw/zinc/34/77/03/382347703.db2.gz OEHANNSGXFMNEX-MSOLQXFVSA-N 0 3 295.386 2.907 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(-c2ccccc2)cc1 ZINC000352465035 382347849 /nfs/dbraw/zinc/34/78/49/382347849.db2.gz BUVZVQGNTPMELP-QGZVFWFLSA-N 0 3 253.345 2.990 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1C1CC1 ZINC000378361154 382447548 /nfs/dbraw/zinc/44/75/48/382447548.db2.gz DQCOGVFTYHYYAI-OAHLLOKOSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000305784336 382446284 /nfs/dbraw/zinc/44/62/84/382446284.db2.gz WWLSCGPUEODYTJ-YPMHNXCESA-N 0 3 267.344 2.812 20 30 CFEDHN C=CCOCCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000294098516 382413383 /nfs/dbraw/zinc/41/33/83/382413383.db2.gz MFGPVUAAFXONHQ-INIZCTEOSA-N 0 3 295.810 2.834 20 30 CFEDHN N#Cc1ccccc1OCCN1CC2CCC1CC2 ZINC000378383592 382451073 /nfs/dbraw/zinc/45/10/73/382451073.db2.gz KLPAOMCCGRUAME-UHFFFAOYSA-N 0 3 256.349 2.811 20 30 CFEDHN C=CCOCCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000294211992 382462287 /nfs/dbraw/zinc/46/22/87/382462287.db2.gz RWQTYZYUFHEPOE-GJZGRUSLSA-N 0 3 283.318 2.587 20 30 CFEDHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1cccc(C#N)c1 ZINC000378453099 382464248 /nfs/dbraw/zinc/46/42/48/382464248.db2.gz NLRIIPDAGYQEAN-BBRMVZONSA-N 0 3 286.375 2.895 20 30 CFEDHN C[C@H](C[C@H]1CCCO1)NCc1ccc(C#N)cc1F ZINC000358175761 382488193 /nfs/dbraw/zinc/48/81/93/382488193.db2.gz MWGFJHCTRKIOMV-BXUZGUMPSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC(C)(C)CF)C(C)C ZINC000353028473 382489167 /nfs/dbraw/zinc/48/91/67/382489167.db2.gz GVENLIMJAGBTKI-CQSZACIVSA-N 0 3 299.434 2.732 20 30 CFEDHN CC1=CCN(CCN[C@H](C)c2cccc(C#N)c2)CC1 ZINC000358246867 382526152 /nfs/dbraw/zinc/52/61/52/382526152.db2.gz ZYXCHZLLYKWFER-OAHLLOKOSA-N 0 3 269.392 2.861 20 30 CFEDHN C=C(C)CN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547095 382526823 /nfs/dbraw/zinc/52/68/23/382526823.db2.gz XJSJXTZOCKFOSW-KGLIPLIRSA-N 0 3 280.412 2.894 20 30 CFEDHN C[C@H]1C[C@H](CO)CN(CC#Cc2ccc(Cl)cc2)C1 ZINC000420948957 382500781 /nfs/dbraw/zinc/50/07/81/382500781.db2.gz UYHWSWYAWXRDPR-ZFWWWQNUSA-N 0 3 277.795 2.642 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCCOC)C1CCN(C)CC1 ZINC000358224946 382513340 /nfs/dbraw/zinc/51/33/40/382513340.db2.gz NDKXRLIJWYFYMY-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@@H](CO)C1 ZINC000312406118 382514620 /nfs/dbraw/zinc/51/46/20/382514620.db2.gz IJOWBCFHCZFRFA-ZBFHGGJFSA-N 0 3 275.392 2.892 20 30 CFEDHN C[C@H](NCC[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000346864220 382550147 /nfs/dbraw/zinc/55/01/47/382550147.db2.gz MJKBXCNBGVAORH-NWDGAFQWSA-N 0 3 262.328 2.775 20 30 CFEDHN C=CCC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346932465 382576367 /nfs/dbraw/zinc/57/63/67/382576367.db2.gz BCNZXAZLJIFUJR-MRXNPFEDSA-N 0 3 297.402 2.846 20 30 CFEDHN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000328603399 382553787 /nfs/dbraw/zinc/55/37/87/382553787.db2.gz HSEDETJMCTUDEU-HZSPNIEDSA-N 0 3 290.411 2.670 20 30 CFEDHN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000328603399 382553791 /nfs/dbraw/zinc/55/37/91/382553791.db2.gz HSEDETJMCTUDEU-HZSPNIEDSA-N 0 3 290.411 2.670 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000328635214 382557886 /nfs/dbraw/zinc/55/78/86/382557886.db2.gz BYRLJFCUNWIWMN-IUODEOHRSA-N 0 3 281.400 2.574 20 30 CFEDHN C#CCN(C)CCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000294981031 382558823 /nfs/dbraw/zinc/55/88/23/382558823.db2.gz KQPSEANDPRGAMB-IBGZPJMESA-N 0 3 293.414 2.716 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000367308377 382564417 /nfs/dbraw/zinc/56/44/17/382564417.db2.gz OPLVHBUSXVBLLP-KRWDZBQOSA-N 0 3 265.360 2.702 20 30 CFEDHN N#CC(C(=O)c1ccc(OCC2CC2)cc1)c1ccncn1 ZINC000680617789 542343165 /nfs/dbraw/zinc/34/31/65/542343165.db2.gz FHHWOODDUSETOE-HNNXBMFYSA-N 0 3 293.326 2.755 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccco1 ZINC000367615219 382577703 /nfs/dbraw/zinc/57/77/03/382577703.db2.gz KNICUQKZSZZLPH-HZPDHXFCSA-N 0 3 290.407 2.740 20 30 CFEDHN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353259300 382531430 /nfs/dbraw/zinc/53/14/30/382531430.db2.gz DXTYWDKSQDGMBM-CVEARBPZSA-N 0 3 258.365 2.806 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(OCc2nccn2C)cc1 ZINC000346825862 382531780 /nfs/dbraw/zinc/53/17/80/382531780.db2.gz IONJDYHRJBGINV-AWEZNQCLSA-N 0 3 298.390 2.953 20 30 CFEDHN N#Cc1ccc(OCCN2CCC3(CC3)CC2)cc1 ZINC000366634856 382535822 /nfs/dbraw/zinc/53/58/22/382535822.db2.gz WEOUXAIQITZLRF-UHFFFAOYSA-N 0 3 256.349 2.813 20 30 CFEDHN N#Cc1cccc(CN[C@@H](CO)C2CCCCC2)c1F ZINC000386284306 382586338 /nfs/dbraw/zinc/58/63/38/382586338.db2.gz RPFARCPYOFVUDO-HNNXBMFYSA-N 0 3 276.355 2.728 20 30 CFEDHN CC[C@@H](C)N1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000295281780 382607444 /nfs/dbraw/zinc/60/74/44/382607444.db2.gz BLLZJVCDNWKFAM-OAHLLOKOSA-N 0 3 274.383 2.593 20 30 CFEDHN Cc1nc(N[C@H]2CCN(C)[C@@H](C)C2)c(Cl)cc1C#N ZINC000388657507 382608564 /nfs/dbraw/zinc/60/85/64/382608564.db2.gz AUFFGKSFLKUHDO-CABZTGNLSA-N 0 3 278.787 2.810 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000189886416 382643918 /nfs/dbraw/zinc/64/39/18/382643918.db2.gz UEGXUSCEDVXGTJ-YGOACVGDSA-N 0 3 256.349 2.607 20 30 CFEDHN C=CCC[C@H](O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190978302 382687194 /nfs/dbraw/zinc/68/71/94/382687194.db2.gz ITKSZJJNKJUTMN-AWEZNQCLSA-N 0 3 267.413 2.737 20 30 CFEDHN CCOCCOCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000190295723 382661038 /nfs/dbraw/zinc/66/10/38/382661038.db2.gz GHBWYNSUUFZLFH-CQSZACIVSA-N 0 3 276.380 2.604 20 30 CFEDHN C[C@H]1CSCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000190415915 382666957 /nfs/dbraw/zinc/66/69/57/382666957.db2.gz GWIJZOYXXOAFRW-LLVKDONJSA-N 0 3 264.369 2.882 20 30 CFEDHN C=CCN(CCOC)CCOc1ccc(SC)cc1 ZINC000191136298 382692487 /nfs/dbraw/zinc/69/24/87/382692487.db2.gz OXZVWQNKVMHGAV-UHFFFAOYSA-N 0 3 281.421 2.922 20 30 CFEDHN C=CCN(CCCc1cccc(OC)c1)CCOC ZINC000191146032 382692876 /nfs/dbraw/zinc/69/28/76/382692876.db2.gz NBNRRJSJDYNEGI-UHFFFAOYSA-N 0 3 263.381 2.762 20 30 CFEDHN CN(CCCOc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191250078 382697103 /nfs/dbraw/zinc/69/71/03/382697103.db2.gz CRPLGPDPPUTGIQ-UHFFFAOYSA-N 0 3 283.375 2.798 20 30 CFEDHN CN(C)c1cccc(CN(C)Cc2cc(C#N)n(C)c2)c1 ZINC000191431189 382700194 /nfs/dbraw/zinc/70/01/94/382700194.db2.gz NOBHYAQPXNXWOQ-UHFFFAOYSA-N 0 3 282.391 2.595 20 30 CFEDHN Cn1cc(CNCC2([C@@H](O)c3ccccc3)CC2)cc1C#N ZINC000191468822 382700712 /nfs/dbraw/zinc/70/07/12/382700712.db2.gz FPYPGGOUEHZWNR-KRWDZBQOSA-N 0 3 295.386 2.500 20 30 CFEDHN C[C@H](CN(C)Cc1cc(C#N)n(C)c1)c1nccs1 ZINC000191476991 382700904 /nfs/dbraw/zinc/70/09/04/382700904.db2.gz VPCXTHKCFQLNOD-LLVKDONJSA-N 0 3 274.393 2.589 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OCC2CC2)cc1 ZINC000191593565 382701528 /nfs/dbraw/zinc/70/15/28/382701528.db2.gz XCZOUNLMIQIXEX-HNNXBMFYSA-N 0 3 261.365 2.502 20 30 CFEDHN C[C@@H](O)[C@@](C)(CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000191719313 382702168 /nfs/dbraw/zinc/70/21/68/382702168.db2.gz FDKXSJYWYZSRKB-RDTXWAMCSA-N 0 3 298.386 2.871 20 30 CFEDHN CC1(C)CCC[C@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000191860211 382702899 /nfs/dbraw/zinc/70/28/99/382702899.db2.gz PQDVJKQVIXBHOK-CQSZACIVSA-N 0 3 271.364 2.665 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000192078899 382704674 /nfs/dbraw/zinc/70/46/74/382704674.db2.gz VRSYGPOUJRIOBJ-IAGOWNOFSA-N 0 3 255.361 2.539 20 30 CFEDHN C#CCCCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000192140578 382704965 /nfs/dbraw/zinc/70/49/65/382704965.db2.gz YSRCTZQKWMJPSD-QGZVFWFLSA-N 0 3 298.430 2.913 20 30 CFEDHN C#CCCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000192186982 382705205 /nfs/dbraw/zinc/70/52/05/382705205.db2.gz QWVXYOFLETWYPO-OAHLLOKOSA-N 0 3 299.418 2.527 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccoc2Cl)CC1 ZINC000192390258 382708171 /nfs/dbraw/zinc/70/81/71/382708171.db2.gz MGLIMZJJEVTVNT-UHFFFAOYSA-N 0 3 282.771 2.703 20 30 CFEDHN C=CCCCCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000193385722 382719454 /nfs/dbraw/zinc/71/94/54/382719454.db2.gz SETJKDXVNCVRFG-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)CCS1 ZINC000337130794 382764979 /nfs/dbraw/zinc/76/49/79/382764979.db2.gz JEKPSFOKFYGAPL-CYBMUJFWSA-N 0 3 268.426 2.524 20 30 CFEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CC(C)(C)O1 ZINC000337132799 382765322 /nfs/dbraw/zinc/76/53/22/382765322.db2.gz KMKBJJQPRFJKPK-AWEZNQCLSA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@]1(F)CCN(CCCC2(C#N)CCOCC2)C1 ZINC000337173850 382771679 /nfs/dbraw/zinc/77/16/79/382771679.db2.gz GRZMYXVYJMSEBK-ZDUSSCGKSA-N 0 3 254.349 2.521 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccc(C)s2)C1=O ZINC000337187950 382773239 /nfs/dbraw/zinc/77/32/39/382773239.db2.gz PYCKZDGAHCYYDX-UONOGXRCSA-N 0 3 290.432 2.980 20 30 CFEDHN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)CCS1 ZINC000337184003 382773309 /nfs/dbraw/zinc/77/33/09/382773309.db2.gz NMCUXLXCEJZBPS-CQSZACIVSA-N 0 3 282.453 2.914 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](Cc3ccccc3)[C@@H]2C)C1=O ZINC000337196834 382774604 /nfs/dbraw/zinc/77/46/04/382774604.db2.gz WQBYXSFRSDWYSF-SZMVWBNQSA-N 0 3 298.430 2.726 20 30 CFEDHN CC(C)(C)CCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000337214368 382779019 /nfs/dbraw/zinc/77/90/19/382779019.db2.gz XJNLRTLXVOAQAD-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(C)cc3C)C2)C1=O ZINC000337233026 382781760 /nfs/dbraw/zinc/78/17/60/382781760.db2.gz KBJMMTVONFYKIK-SJLPKXTDSA-N 0 3 298.430 2.880 20 30 CFEDHN COc1cc(CN[C@@H]2CCC[C@H]2OC(F)F)ccc1C#N ZINC000337314519 382799696 /nfs/dbraw/zinc/79/96/96/382799696.db2.gz WQUYPQGUSKVCAG-CHWSQXEVSA-N 0 3 296.317 2.817 20 30 CFEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)CC1CCC1 ZINC000576168986 382812705 /nfs/dbraw/zinc/81/27/05/382812705.db2.gz JUOPYLLTHJAXEY-UHFFFAOYSA-N 0 3 286.375 2.967 20 30 CFEDHN C=CCCCCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337417120 382817067 /nfs/dbraw/zinc/81/70/67/382817067.db2.gz RXARQMCBWHXAMF-CQSZACIVSA-N 0 3 273.442 2.632 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)CC)C(C)C ZINC000337434274 382820590 /nfs/dbraw/zinc/82/05/90/382820590.db2.gz HNKQMCLYLCKDEF-LSDHHAIUSA-N 0 3 281.444 2.783 20 30 CFEDHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CCCCC#N ZINC000337457457 382824072 /nfs/dbraw/zinc/82/40/72/382824072.db2.gz PQEHBRLEJLLNIZ-HNNXBMFYSA-N 0 3 287.407 2.832 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337495943 382831838 /nfs/dbraw/zinc/83/18/38/382831838.db2.gz YIKAQNAMQYFTJO-NWDGAFQWSA-N 0 3 299.411 2.920 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H]2CCCCO2)c(F)c1 ZINC000227336319 382835536 /nfs/dbraw/zinc/83/55/36/382835536.db2.gz UPNXMHXVXYMUQO-AWEZNQCLSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCSCCNCc1ccc(C#N)cc1F ZINC000227597010 382838120 /nfs/dbraw/zinc/83/81/20/382838120.db2.gz NUKNKNVNWVKLOH-UHFFFAOYSA-N 0 3 250.342 2.706 20 30 CFEDHN C=CC[C@H]1N(C(=O)CN(CC)CC)CCCC1(C)C ZINC000337572486 382843731 /nfs/dbraw/zinc/84/37/31/382843731.db2.gz TYXZSTLNXPPECY-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN COc1ccc(CN2CCC[C@](C)(OC)C2)cc1C#N ZINC000230265087 382858232 /nfs/dbraw/zinc/85/82/32/382858232.db2.gz DRETXFNRAHWGDQ-INIZCTEOSA-N 0 3 274.364 2.568 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000337753879 382861640 /nfs/dbraw/zinc/86/16/40/382861640.db2.gz AOFJXISGPCKTTJ-AWEZNQCLSA-N 0 3 299.418 2.669 20 30 CFEDHN COc1cccc([C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000232314779 382868334 /nfs/dbraw/zinc/86/83/34/382868334.db2.gz CEPNXDPYXOVHDL-GFCCVEGCSA-N 0 3 269.348 2.756 20 30 CFEDHN COc1cc2c(cc1F)CC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000337845098 382871472 /nfs/dbraw/zinc/87/14/72/382871472.db2.gz HKDVMRMDLUDYLL-MRXNPFEDSA-N 0 3 299.349 2.822 20 30 CFEDHN COC(=O)c1cccc(CN(CC2CC2)C(C)C)c1C#N ZINC000533760855 382910393 /nfs/dbraw/zinc/91/03/93/382910393.db2.gz JFSSMSDBQABUSG-UHFFFAOYSA-N 0 3 286.375 2.965 20 30 CFEDHN CC[C@H](C)[C@H]1CN(CCCC#N)CCN1CCCC#N ZINC000337981582 382887743 /nfs/dbraw/zinc/88/77/43/382887743.db2.gz SRCAUDKIFOUFOH-JKSUJKDBSA-N 0 3 276.428 2.626 20 30 CFEDHN Cc1cc(C)n(-c2ccc(CN[C@@H]3CC[C@@H](C#N)C3)cn2)n1 ZINC000442709985 382947010 /nfs/dbraw/zinc/94/70/10/382947010.db2.gz PGJSTVPAFQZKOB-GDBMZVCRSA-N 0 3 295.390 2.666 20 30 CFEDHN C=CCOc1ccc(CN(C)CCCO)cc1Cl ZINC000442972107 382964262 /nfs/dbraw/zinc/96/42/62/382964262.db2.gz WWBNDWKWOBZGRC-UHFFFAOYSA-N 0 3 269.772 2.719 20 30 CFEDHN C=CCNC(=O)CNC/C(C)=C\c1ccc(Cl)cc1 ZINC000537434985 382957356 /nfs/dbraw/zinc/95/73/56/382957356.db2.gz RDBYXQXLVZBIFC-XFXZXTDPSA-N 0 3 278.783 2.635 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1 ZINC000442857285 382961353 /nfs/dbraw/zinc/96/13/53/382961353.db2.gz SPIKVHCVILSZLQ-LERXQTSPSA-N 0 3 291.782 2.538 20 30 CFEDHN CN(C)CCOc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442854743 382961367 /nfs/dbraw/zinc/96/13/67/382961367.db2.gz LHLKIQCQKGZUOF-ZFWWWQNUSA-N 0 3 273.380 2.731 20 30 CFEDHN CN1CCN(Cc2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442874409 382962618 /nfs/dbraw/zinc/96/26/18/382962618.db2.gz NBLXXDHDUQIXPC-MAUKXSAKSA-N 0 3 298.434 2.538 20 30 CFEDHN N#CCSCCCN1CCC=C(c2ccccn2)C1 ZINC000578879368 382962759 /nfs/dbraw/zinc/96/27/59/382962759.db2.gz RWYVWCFSJSQGDD-UHFFFAOYSA-N 0 3 273.405 2.818 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000338121581 382925879 /nfs/dbraw/zinc/92/58/79/382925879.db2.gz XDQBJOTWTHNOLN-OKILXGFUSA-N 0 3 299.418 2.859 20 30 CFEDHN COC(=O)c1cccc(CN(CC2CC2)CC2CC2)c1C#N ZINC000534471419 382931307 /nfs/dbraw/zinc/93/13/07/382931307.db2.gz KQVTVAXEYGYONG-UHFFFAOYSA-N 0 3 298.386 2.967 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCC(=O)N(C)C1 ZINC000578597731 382935017 /nfs/dbraw/zinc/93/50/17/382935017.db2.gz USHDFCJKWSEPTK-HNNXBMFYSA-N 0 3 299.418 2.540 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444407160 382973803 /nfs/dbraw/zinc/97/38/03/382973803.db2.gz CASQYUJXQOTHDI-JTNHKYCSSA-N 0 3 292.766 2.788 20 30 CFEDHN CN(CCCCC(C)(C)C#N)CC(=O)NC(C)(C)C ZINC000444599248 382974261 /nfs/dbraw/zinc/97/42/61/382974261.db2.gz WTKSXMNNQDNMPF-UHFFFAOYSA-N 0 3 267.417 2.553 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000338438132 383017347 /nfs/dbraw/zinc/01/73/47/383017347.db2.gz HVUREDWSUFDICD-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN CC#CCCN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495442174 382988730 /nfs/dbraw/zinc/98/87/30/382988730.db2.gz CFHPDSQVGVRWLT-KRWDZBQOSA-N 0 3 292.423 2.733 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000579349181 383006021 /nfs/dbraw/zinc/00/60/21/383006021.db2.gz DLQXRRNTXNNKNV-HZSPNIEDSA-N 0 3 280.412 2.978 20 30 CFEDHN C#CCCN1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000495654560 383008313 /nfs/dbraw/zinc/00/83/13/383008313.db2.gz FHMNDMQCYMFSKA-KRWDZBQOSA-N 0 3 292.423 2.733 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000579465680 383018391 /nfs/dbraw/zinc/01/83/91/383018391.db2.gz BBFWXAMKQYRVFK-HYVNUMGLSA-N 0 3 283.375 2.940 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)nc1 ZINC000579371262 383010266 /nfs/dbraw/zinc/01/02/66/383010266.db2.gz YDFODOMWZJVIJZ-RCCFBDPRSA-N 0 3 299.418 2.859 20 30 CFEDHN COC(=O)Nc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000495690579 383014949 /nfs/dbraw/zinc/01/49/49/383014949.db2.gz MVVDLOVZJFEDKV-YPMHNXCESA-N 0 3 273.336 2.647 20 30 CFEDHN CC1(C#N)CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000541881124 382966678 /nfs/dbraw/zinc/96/66/78/382966678.db2.gz RIMYIMWJTYAGTJ-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN CC1(C#N)CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000541881124 382966687 /nfs/dbraw/zinc/96/66/87/382966687.db2.gz RIMYIMWJTYAGTJ-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C(C)(C)C)C2)CC1 ZINC000542265217 382968865 /nfs/dbraw/zinc/96/88/65/382968865.db2.gz FQVLHTMLOJMQPQ-AWEZNQCLSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C)C[C@@H](C)C1 ZINC000443644311 382969454 /nfs/dbraw/zinc/96/94/54/382969454.db2.gz XXNYUMNPZABSEE-LSDHHAIUSA-N 0 3 264.413 2.555 20 30 CFEDHN COCc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000542851233 382969723 /nfs/dbraw/zinc/96/97/23/382969723.db2.gz UIFBZJPYOFSJRM-UHFFFAOYSA-N 0 3 258.365 2.959 20 30 CFEDHN C[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)s1 ZINC000245874004 383042014 /nfs/dbraw/zinc/04/20/14/383042014.db2.gz LVSLBGWYIVKMPJ-JMPLFQLZSA-N 0 3 284.384 2.929 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000245915800 383048124 /nfs/dbraw/zinc/04/81/24/383048124.db2.gz FMUKVYAOGITVFW-RDJZCZTQSA-N 0 3 273.351 2.678 20 30 CFEDHN C[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000245968454 383054215 /nfs/dbraw/zinc/05/42/15/383054215.db2.gz VYMUALCTMGBZLO-CPUCHLNUSA-N 0 3 297.402 2.641 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000448360110 383058054 /nfs/dbraw/zinc/05/80/54/383058054.db2.gz AEXDHIQWXXGWHX-AAEUAGOBSA-N 0 3 264.394 2.745 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000580753238 383079840 /nfs/dbraw/zinc/07/98/40/383079840.db2.gz VYGDYCOSBSMCGV-HYVNUMGLSA-N 0 3 297.402 2.632 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(C)C ZINC000246373069 383074489 /nfs/dbraw/zinc/07/44/89/383074489.db2.gz AMOLAJMGDKEHLO-TWMKSMIVSA-N 0 3 290.451 2.847 20 30 CFEDHN N#CC1(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000590133160 383120629 /nfs/dbraw/zinc/12/06/29/383120629.db2.gz XVBHOGJQDHUUKR-INIZCTEOSA-N 0 3 297.402 2.634 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496606733 383121422 /nfs/dbraw/zinc/12/14/22/383121422.db2.gz SZGMHULFBAVFHM-MGPQQGTHSA-N 0 3 295.427 2.914 20 30 CFEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(N2CCCC2)n1 ZINC000619673788 383146505 /nfs/dbraw/zinc/14/65/05/383146505.db2.gz USIHVRRMSUUEQS-ZBFHGGJFSA-N 0 3 284.407 2.772 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(CC)C1CC1)C(C)C ZINC000503408574 383140552 /nfs/dbraw/zinc/14/05/52/383140552.db2.gz SZEAMIJUXPSZHB-INIZCTEOSA-N 0 3 293.455 2.879 20 30 CFEDHN OC1([C@H]2CCCCN2CC#Cc2ccc(F)cc2)CC1 ZINC000582227114 383086132 /nfs/dbraw/zinc/08/61/32/383086132.db2.gz QXQQFJCCURBFJQ-MRXNPFEDSA-N 0 3 273.351 2.557 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](CNCCC#N)C1 ZINC000496337584 383089390 /nfs/dbraw/zinc/08/93/90/383089390.db2.gz DBIDTXYRIHHVCY-STQMWFEESA-N 0 3 281.400 2.573 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N(CC)C[C@H]1CCCN1CC)OCC ZINC000583583462 383090443 /nfs/dbraw/zinc/09/04/43/383090443.db2.gz JFNYZAFXKIZGRK-HZPDHXFCSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCCCN(CCO)Cc1ccccc1OC ZINC000583545992 383090499 /nfs/dbraw/zinc/09/04/99/383090499.db2.gz BBKZHEGOLVYDHB-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN C=C(C)CN(CC)Cc1cc2ccccc2n(C)c1=O ZINC000583821092 383092690 /nfs/dbraw/zinc/09/26/90/383092690.db2.gz ZSKQROMRFNPPDM-UHFFFAOYSA-N 0 3 270.376 2.937 20 30 CFEDHN CO[C@@H]1CC[C@@H]2OCCN(CCCC(C)(C)C#N)[C@@H]2C1 ZINC000246691673 383093226 /nfs/dbraw/zinc/09/32/26/383093226.db2.gz MXBVBAORLFZPOB-KFWWJZLASA-N 0 3 280.412 2.585 20 30 CFEDHN C[C@H](CCC#N)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496543690 383113870 /nfs/dbraw/zinc/11/38/70/383113870.db2.gz UUWDHMHJBAHABK-MCIONIFRSA-N 0 3 295.427 2.914 20 30 CFEDHN C[C@H](CNc1ncccc1C#N)N1CCCC[C@@H]1C ZINC000339000138 383114326 /nfs/dbraw/zinc/11/43/26/383114326.db2.gz BEFYNRNXEADFAG-QWHCGFSZSA-N 0 3 258.369 2.628 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000564915212 383174306 /nfs/dbraw/zinc/17/43/06/383174306.db2.gz DJQRAIBJPSFWMN-LLVKDONJSA-N 0 3 285.269 2.665 20 30 CFEDHN N#CCCN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000565770544 383181111 /nfs/dbraw/zinc/18/11/11/383181111.db2.gz YDKHDACBQMGFGN-CQSZACIVSA-N 0 3 297.324 2.783 20 30 CFEDHN C=CCOCCN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000339196237 383183366 /nfs/dbraw/zinc/18/33/66/383183366.db2.gz UECGFXGAIQHGBF-HNNXBMFYSA-N 0 3 291.391 2.741 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC[C@@H](C#N)CCC#N)c1ccco1 ZINC000566120084 383184098 /nfs/dbraw/zinc/18/40/98/383184098.db2.gz GGNZLUAESSBCON-ZNMIVQPWSA-N 0 3 288.395 2.742 20 30 CFEDHN C=CCC[C@H](CO)NCc1nc(C(C)C)n2ccccc12 ZINC000566339079 383186038 /nfs/dbraw/zinc/18/60/38/383186038.db2.gz JBYFLEUSMXOFJU-CQSZACIVSA-N 0 3 287.407 2.874 20 30 CFEDHN C=C(C)CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000339288295 383188237 /nfs/dbraw/zinc/18/82/37/383188237.db2.gz ABBFICPCAJHLEY-UHFFFAOYSA-N 0 3 290.382 2.730 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)c1cc[nH]c(=O)c1 ZINC000339456199 383202769 /nfs/dbraw/zinc/20/27/69/383202769.db2.gz VFPGHUXTPZIJGV-VIFPVBQESA-N 0 3 259.334 2.571 20 30 CFEDHN CC[C@@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000518683939 383206879 /nfs/dbraw/zinc/20/68/79/383206879.db2.gz HUYNKBLPWGYFRT-IAGOWNOFSA-N 0 3 288.391 2.795 20 30 CFEDHN C=C(C)CCN1CCN(c2ccc(F)cc2OC)CC1 ZINC000509687621 383148690 /nfs/dbraw/zinc/14/86/90/383148690.db2.gz VNMRUPVIAQYFBK-UHFFFAOYSA-N 0 3 278.371 2.923 20 30 CFEDHN C=CCCCCN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000556220147 383150972 /nfs/dbraw/zinc/15/09/72/383150972.db2.gz KZOOYTVOAQGZPY-WDEREUQCSA-N 0 3 251.292 2.730 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)CC[C@H]1C ZINC000247236250 383155168 /nfs/dbraw/zinc/15/51/68/383155168.db2.gz DITHYIOGJWGOGU-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000514940320 383156848 /nfs/dbraw/zinc/15/68/48/383156848.db2.gz OHIVXYQXDAGVML-IAGOWNOFSA-N 0 3 290.451 2.969 20 30 CFEDHN N#CCC[C@@H](C#N)CNC1CCN(c2ccccc2)CC1 ZINC000515189200 383158668 /nfs/dbraw/zinc/15/86/68/383158668.db2.gz DQBXATLDGKDBLJ-HNNXBMFYSA-N 0 3 282.391 2.689 20 30 CFEDHN CN(CCCSCC#N)Cc1cc(C(C)(C)C)[nH]n1 ZINC000562493330 383158769 /nfs/dbraw/zinc/15/87/69/383158769.db2.gz GSOOGYTVZSHYOH-UHFFFAOYSA-N 0 3 280.441 2.786 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)C1(N)CCCCC1 ZINC000516275161 383163099 /nfs/dbraw/zinc/16/30/99/383163099.db2.gz OWAKLHZFAWUMQB-UHFFFAOYSA-N 0 3 286.419 2.905 20 30 CFEDHN C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)CN1Cc1ccccc1 ZINC000520567585 383263234 /nfs/dbraw/zinc/26/32/34/383263234.db2.gz NQYBXPREHGSMRC-NXHRZFHOSA-N 0 3 296.418 2.683 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000520692033 383269606 /nfs/dbraw/zinc/26/96/06/383269606.db2.gz MFLIXGVGAQIYCM-GDBMZVCRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248610925 383270795 /nfs/dbraw/zinc/27/07/95/383270795.db2.gz GIWYBRJUQQLSCN-QLFBSQMISA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000248625267 383273344 /nfs/dbraw/zinc/27/33/44/383273344.db2.gz NSQMMSNATZIANV-KKUMJFAQSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CCC1 ZINC000248713439 383282232 /nfs/dbraw/zinc/28/22/32/383282232.db2.gz JOMCVVDPMYHNES-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN CC1=CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000339660441 383278098 /nfs/dbraw/zinc/27/80/98/383278098.db2.gz LMVNDBKDSYMLJG-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN Cn1cccc1[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248297425 383222442 /nfs/dbraw/zinc/22/24/42/383222442.db2.gz ZLYVGMPKEOLAIL-QZTJIDSGSA-N 0 3 295.386 2.767 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000339507127 383223068 /nfs/dbraw/zinc/22/30/68/383223068.db2.gz KIEFABIIJIVYSX-BZUAXINKSA-N 0 3 268.360 2.605 20 30 CFEDHN CCO[C@H]1C[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000567065417 383239439 /nfs/dbraw/zinc/23/94/39/383239439.db2.gz SSBCMZHIFGLOGX-CVEARBPZSA-N 0 3 274.364 2.636 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000519831999 383240808 /nfs/dbraw/zinc/24/08/08/383240808.db2.gz KWFGTFCHKFTQCN-LXIYXOSZSA-N 0 3 293.370 2.996 20 30 CFEDHN N#Cc1ccc(CNCC2(CF)CCOCC2)c(F)c1 ZINC000449490387 383328250 /nfs/dbraw/zinc/32/82/50/383328250.db2.gz XNHCGGFBAZQFPZ-UHFFFAOYSA-N 0 3 280.318 2.553 20 30 CFEDHN C[C@H]1C[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000425246725 383349363 /nfs/dbraw/zinc/34/93/63/383349363.db2.gz YOMDLBWISMJVGO-JQWIXIFHSA-N 0 3 286.335 2.504 20 30 CFEDHN CC1CCN(CCNc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425207971 383340625 /nfs/dbraw/zinc/34/06/25/383340625.db2.gz NRPURMKMYQLMFV-UHFFFAOYSA-N 0 3 288.351 2.610 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339676483 383284776 /nfs/dbraw/zinc/28/47/76/383284776.db2.gz UMUFALCCUTVGCA-UKPHBRMFSA-N 0 3 291.439 2.551 20 30 CFEDHN CC#CCN(C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000339757913 383306424 /nfs/dbraw/zinc/30/64/24/383306424.db2.gz XPYPEPNAJGHQCY-UHFFFAOYSA-N 0 3 267.376 2.944 20 30 CFEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000248911869 383307877 /nfs/dbraw/zinc/30/78/77/383307877.db2.gz YHPLGEVZKVCGRI-IAGOWNOFSA-N 0 3 257.377 2.521 20 30 CFEDHN CC(C)CC[C@H](O)CNCC#Cc1cccc(F)c1 ZINC000567727421 383308162 /nfs/dbraw/zinc/30/81/62/383308162.db2.gz WWYDXPQFEQWHAZ-INIZCTEOSA-N 0 3 263.356 2.564 20 30 CFEDHN CO[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[C@H]1C ZINC000251581236 383391044 /nfs/dbraw/zinc/39/10/44/383391044.db2.gz FFDCPBCIOATPIH-RHSMWYFYSA-N 0 3 288.391 2.684 20 30 CFEDHN CS[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000568384020 383395952 /nfs/dbraw/zinc/39/59/52/383395952.db2.gz RUPDOJUJAMJJPV-RWMBFGLXSA-N 0 3 251.399 2.694 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@](O)(C2CC2)C1 ZINC000426505709 383402801 /nfs/dbraw/zinc/40/28/01/383402801.db2.gz YWGKCYXWFHYECC-KRWDZBQOSA-N 0 3 273.376 2.598 20 30 CFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(CC#N)cc1 ZINC000479535769 383408091 /nfs/dbraw/zinc/40/80/91/383408091.db2.gz YYJTYETYMPZJTR-CQSZACIVSA-N 0 3 299.418 2.555 20 30 CFEDHN CC(C)(O)CN(CC#Cc1ccccc1Cl)C1CC1 ZINC000426744988 383410760 /nfs/dbraw/zinc/41/07/60/383410760.db2.gz SAXQBDJTFXYCQZ-UHFFFAOYSA-N 0 3 277.795 2.927 20 30 CFEDHN CCCN1CCC[C@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425258415 383352157 /nfs/dbraw/zinc/35/21/57/383352157.db2.gz VYTHFWWPMCBCLD-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1csc(Br)c1 ZINC000449521553 383352820 /nfs/dbraw/zinc/35/28/20/383352820.db2.gz SEHPYXDPKOYMJC-ZJUUUORDSA-N 0 3 288.210 2.944 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)ccc1OC ZINC000449549274 383355284 /nfs/dbraw/zinc/35/52/84/383355284.db2.gz WIALRSFOQLFKGM-KGLIPLIRSA-N 0 3 265.328 2.658 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(N(CC)CC)s1 ZINC000449549626 383355848 /nfs/dbraw/zinc/35/58/48/383355848.db2.gz ZPUQALOAMYOTRL-KGLIPLIRSA-N 0 3 295.452 2.813 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(C(=O)OC)ccc1Cl ZINC000449699711 383361782 /nfs/dbraw/zinc/36/17/82/383361782.db2.gz RQMSPVRWTVVZQF-ZDUSSCGKSA-N 0 3 297.782 2.543 20 30 CFEDHN C=CCCCCN1CCN(CCOC)[C@@H](CCC)C1 ZINC000568183736 383371322 /nfs/dbraw/zinc/37/13/22/383371322.db2.gz WDKBZBQOUVVJLW-INIZCTEOSA-N 0 3 268.445 2.775 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000449941107 383372659 /nfs/dbraw/zinc/37/26/59/383372659.db2.gz OSIKCTZRJBYPCC-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN Cc1cccc(NC(=O)C[C@H](C)NCC2(CC#N)CC2)c1 ZINC000568710652 383429000 /nfs/dbraw/zinc/42/90/00/383429000.db2.gz KBOPOJGWALYMOE-AWEZNQCLSA-N 0 3 285.391 2.996 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000526941794 383439170 /nfs/dbraw/zinc/43/91/70/383439170.db2.gz QKKNCPFCCBEASN-ZBFHGGJFSA-N 0 3 294.402 2.917 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H]([C@H](C)O)C1 ZINC000526942469 383439644 /nfs/dbraw/zinc/43/96/44/383439644.db2.gz WSZOKUQMYYPNCY-WWGRRREGSA-N 0 3 258.365 2.712 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000253086554 383441261 /nfs/dbraw/zinc/44/12/61/383441261.db2.gz BTLKJQDSLQFQSO-USXIJHARSA-N 0 3 288.366 2.823 20 30 CFEDHN C=CCN(CC(=O)NCC(C)C)CC1CCCCC1 ZINC000484576796 383456771 /nfs/dbraw/zinc/45/67/71/383456771.db2.gz ZJXXDTMHMCGFGO-UHFFFAOYSA-N 0 3 266.429 2.827 20 30 CFEDHN C=CCCCCCN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000487863958 383482334 /nfs/dbraw/zinc/48/23/34/383482334.db2.gz ADZAEIGFQUQPGR-OAHLLOKOSA-N 0 3 266.429 2.969 20 30 CFEDHN C[C@H]1CC[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000429569009 383548617 /nfs/dbraw/zinc/54/86/17/383548617.db2.gz RLCBNGZYHVWDOB-GJZGRUSLSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000487933451 383484063 /nfs/dbraw/zinc/48/40/63/383484063.db2.gz MQOLVWLSWJQLMZ-HOCLYGCPSA-N 0 3 287.407 2.649 20 30 CFEDHN CC(C)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1C ZINC000488161615 383501244 /nfs/dbraw/zinc/50/12/44/383501244.db2.gz BJYBIULJFDVJSB-PBHICJAKSA-N 0 3 271.408 2.891 20 30 CFEDHN CC1(C)CC(CN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000528358698 383501488 /nfs/dbraw/zinc/50/14/88/383501488.db2.gz OAZMPMAIBHRSHT-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN CCN(C[C@@H](C)OC)C(=O)C(C#N)CCc1ccccc1 ZINC000428922576 383501709 /nfs/dbraw/zinc/50/17/09/383501709.db2.gz MHFCQBBIYUUUFK-ZBFHGGJFSA-N 0 3 288.391 2.642 20 30 CFEDHN CC(C)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1C ZINC000488205128 383505180 /nfs/dbraw/zinc/50/51/80/383505180.db2.gz UDMQISSEGPZKRM-RHSMWYFYSA-N 0 3 271.408 2.891 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CSC)C1 ZINC000429278559 383509191 /nfs/dbraw/zinc/50/91/91/383509191.db2.gz YGYPPODLHFGOLQ-LSDHHAIUSA-N 0 3 296.480 2.651 20 30 CFEDHN Cc1cc(CN(C)C[C@@H]2CCCC[C@@H]2O)ccc1C#N ZINC000488329808 383521860 /nfs/dbraw/zinc/52/18/60/383521860.db2.gz PFHPEHOQWVQUNE-IRXDYDNUSA-N 0 3 272.392 2.850 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C#N)cc1 ZINC000341064621 383551276 /nfs/dbraw/zinc/55/12/76/383551276.db2.gz SHSVTPWNLLCEQE-KBPBESRZSA-N 0 3 285.391 2.551 20 30 CFEDHN COCCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000528575209 383583033 /nfs/dbraw/zinc/58/30/33/383583033.db2.gz WRTCYKIWCSYINV-UHFFFAOYSA-N 0 3 288.391 2.686 20 30 CFEDHN COc1ccc([C@H](CCC#N)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000570272743 383588402 /nfs/dbraw/zinc/58/84/02/383588402.db2.gz UADXSQOGCZILPT-YJBOKZPZSA-N 0 3 299.418 2.866 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@H]1C ZINC000488992721 383589775 /nfs/dbraw/zinc/58/97/75/383589775.db2.gz LJMQLSQUEVGMII-MLGOLLRUSA-N 0 3 258.365 2.724 20 30 CFEDHN CN1CCN(CCC2(C#N)CCCCC2)CC1(C)C ZINC000570525658 383612156 /nfs/dbraw/zinc/61/21/56/383612156.db2.gz STBHGDWZLXSKDK-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1CCC(CF)CC1 ZINC000451389408 383606221 /nfs/dbraw/zinc/60/62/21/383606221.db2.gz SOAAYUHZRAQPNN-UHFFFAOYSA-N 0 3 295.383 2.630 20 30 CFEDHN CC1(C)CC(CN2CCN(c3cnccc3C#N)CC2)C1 ZINC000528508035 383559926 /nfs/dbraw/zinc/55/99/26/383559926.db2.gz RNHXKJIBPZEJPI-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc(OC)c1 ZINC000429724449 383563969 /nfs/dbraw/zinc/56/39/69/383563969.db2.gz XBJYKSPAVODBID-UHFFFAOYSA-N 0 3 262.397 2.635 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@@H]2CCN(C(C)C)C2)c1C#N ZINC000450950826 383564705 /nfs/dbraw/zinc/56/47/05/383564705.db2.gz DOHIVWSKEIJGAW-GFCCVEGCSA-N 0 3 292.814 2.834 20 30 CFEDHN CCO[C@@H]1CCN(CCOc2ccccc2C#N)C[C@H]1C ZINC000451541054 383638308 /nfs/dbraw/zinc/63/83/08/383638308.db2.gz LHMQJANHSUKWMV-GDBMZVCRSA-N 0 3 288.391 2.684 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787750 383638699 /nfs/dbraw/zinc/63/86/99/383638699.db2.gz HHNHORLZXQOGAF-ZDUSSCGKSA-N 0 3 274.368 2.649 20 30 CFEDHN CN(CC(=O)Nc1sccc1C#N)C1(C)CCCC1 ZINC000489871348 383640864 /nfs/dbraw/zinc/64/08/64/383640864.db2.gz DIZQRTMSLDVQLM-UHFFFAOYSA-N 0 3 277.393 2.823 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000451546484 383641352 /nfs/dbraw/zinc/64/13/52/383641352.db2.gz SEESKVVDCZSQTJ-CJNGLKHVSA-N 0 3 288.391 2.814 20 30 CFEDHN CO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000451574156 383650281 /nfs/dbraw/zinc/65/02/81/383650281.db2.gz RGOBMEANWJCCSK-DVOMOZLQSA-N 0 3 258.365 2.976 20 30 CFEDHN N#CCc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000570682069 383625292 /nfs/dbraw/zinc/62/52/92/383625292.db2.gz RBABDBPFGLBPGW-UHFFFAOYSA-N 0 3 294.354 2.814 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451485458 383626044 /nfs/dbraw/zinc/62/60/44/383626044.db2.gz AVGKJFXOVVLYCL-DJIMGWMZSA-N 0 3 298.386 2.614 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451492922 383627299 /nfs/dbraw/zinc/62/72/99/383627299.db2.gz QWMGARGBNVSWCG-NVXWUHKLSA-N 0 3 288.391 2.860 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cccc(C#N)c1F ZINC000528768534 383632098 /nfs/dbraw/zinc/63/20/98/383632098.db2.gz WGORBJSGUMBBNB-ZVXAKGHKSA-N 0 3 262.328 2.599 20 30 CFEDHN CCO[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000451527940 383635811 /nfs/dbraw/zinc/63/58/11/383635811.db2.gz HRUDURBTYUREMF-RHSMWYFYSA-N 0 3 288.391 2.684 20 30 CFEDHN N#Cc1ccc(OCCN2CCSC[C@@H]2C2CC2)cc1 ZINC000451652372 383676715 /nfs/dbraw/zinc/67/67/15/383676715.db2.gz YKQBDOWOHFAUFC-MRXNPFEDSA-N 0 3 288.416 2.764 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](CCCC#N)c2ccccc2)C1=O ZINC000433026604 383752391 /nfs/dbraw/zinc/75/23/91/383752391.db2.gz GTMNLGWEFRUUOL-IAGOWNOFSA-N 0 3 297.402 2.798 20 30 CFEDHN N#CCCC[C@@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000433026494 383752952 /nfs/dbraw/zinc/75/29/52/383752952.db2.gz FQAGXMWDUSBHKE-MRXNPFEDSA-N 0 3 285.391 2.634 20 30 CFEDHN CC(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433100023 383753572 /nfs/dbraw/zinc/75/35/72/383753572.db2.gz CIQFCCVENTUWPC-OAHLLOKOSA-N 0 3 258.365 2.921 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)CO1 ZINC000572120607 383757020 /nfs/dbraw/zinc/75/70/20/383757020.db2.gz YPJPNCAWRUBJHS-SKDRFNHKSA-N 0 3 284.281 2.844 20 30 CFEDHN CN(CC1CC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433309172 383760669 /nfs/dbraw/zinc/76/06/69/383760669.db2.gz XHTCYZILMSKHQK-HNNXBMFYSA-N 0 3 256.349 2.627 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433963027 383765154 /nfs/dbraw/zinc/76/51/54/383765154.db2.gz ULBDPEQFJBZFIV-MRXNPFEDSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000530643236 383779953 /nfs/dbraw/zinc/77/99/53/383779953.db2.gz LJHWJFSEIIEPAE-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)CCCCCO ZINC000434668744 383771086 /nfs/dbraw/zinc/77/10/86/383771086.db2.gz CLMQERWGNYTCSQ-UHFFFAOYSA-N 0 3 265.784 2.786 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@](C)(CCc2ccccc2)C1 ZINC000434909276 383772540 /nfs/dbraw/zinc/77/25/40/383772540.db2.gz KQFQZTACURKHPN-GOSISDBHSA-N 0 3 286.419 2.633 20 30 CFEDHN N#Cc1cccc(CN[C@H]([C@H](CO)C2CC2)C2CC2)c1F ZINC000451614440 383667566 /nfs/dbraw/zinc/66/75/66/383667566.db2.gz OOJAUEHDXXLCAQ-WBVHZDCISA-N 0 3 288.366 2.584 20 30 CFEDHN C[C@@H](CCO)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000453235811 383811184 /nfs/dbraw/zinc/81/11/84/383811184.db2.gz NFDYEJFXFWMUTR-VXGBXAGGSA-N 0 3 264.344 2.757 20 30 CFEDHN C[C@H](CCO)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000453235810 383811522 /nfs/dbraw/zinc/81/15/22/383811522.db2.gz NFDYEJFXFWMUTR-RYUDHWBXSA-N 0 3 264.344 2.757 20 30 CFEDHN CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000572733493 383811853 /nfs/dbraw/zinc/81/18/53/383811853.db2.gz CCOQAYAOVGWBQV-CVEARBPZSA-N 0 3 299.418 2.563 20 30 CFEDHN COc1cc(CN[C@H](Cn2cccn2)C(C)C)ccc1C#N ZINC000453258248 383819432 /nfs/dbraw/zinc/81/94/32/383819432.db2.gz SPLFDEIOZOCLLV-MRXNPFEDSA-N 0 3 298.390 2.578 20 30 CFEDHN N#Cc1cnc(NCC23CCCN2CCC3)c(Cl)c1 ZINC000280975076 195053268 /nfs/dbraw/zinc/05/32/68/195053268.db2.gz MRIVYDLNPBXAGA-UHFFFAOYSA-N 0 3 276.771 2.647 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000453264623 383821910 /nfs/dbraw/zinc/82/19/10/383821910.db2.gz AMUXJHROGPLXAC-UHTWSYAYSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](NCC1([S@@](C)=O)CCC1)c1cccc(C#N)c1 ZINC000280977843 195054317 /nfs/dbraw/zinc/05/43/17/195054317.db2.gz IWBBFQMIQJOESC-HXPMCKFVSA-N 0 3 276.405 2.510 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](C(C)C)C2)CC1 ZINC000435980897 383782394 /nfs/dbraw/zinc/78/23/94/383782394.db2.gz UKGTYTHYGDMJHP-OAHLLOKOSA-N 0 3 293.455 2.714 20 30 CFEDHN N#CCCC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000572484410 383786163 /nfs/dbraw/zinc/78/61/63/383786163.db2.gz ZMUZVILXMVQBDZ-UHFFFAOYSA-N 0 3 282.338 2.664 20 30 CFEDHN C=CC[C@@H](CC)N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000280984540 195057373 /nfs/dbraw/zinc/05/73/73/195057373.db2.gz IPINUDKZSWRZME-ZBFHGGJFSA-N 0 3 272.392 2.951 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(C)C#N)C1 ZINC000531294306 383844312 /nfs/dbraw/zinc/84/43/12/383844312.db2.gz YKSULMKODOLIIF-HZSPNIEDSA-N 0 3 256.349 2.859 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000573035759 383861949 /nfs/dbraw/zinc/86/19/49/383861949.db2.gz PYGONPMCXIEUQX-GDBMZVCRSA-N 0 3 266.429 2.922 20 30 CFEDHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000573061379 383864092 /nfs/dbraw/zinc/86/40/92/383864092.db2.gz MNDPOLRABJXMCE-MXWKQRLJSA-N 0 3 250.317 2.771 20 30 CFEDHN CC(C)[C@@](C)(CO)NCC#Cc1cccc(Cl)c1 ZINC000572891885 383834436 /nfs/dbraw/zinc/83/44/36/383834436.db2.gz YXROGIUFAFRCND-OAHLLOKOSA-N 0 3 265.784 2.688 20 30 CFEDHN C=CCC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000646913643 384096969 /nfs/dbraw/zinc/09/69/69/384096969.db2.gz KPKWFLLPXMSNGU-OKZBNKHCSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)C1CCN(C)CC1 ZINC000266190654 384110775 /nfs/dbraw/zinc/11/07/75/384110775.db2.gz WSTPVYKBNGOMTP-UHFFFAOYSA-N 0 3 290.382 2.682 20 30 CFEDHN COc1cc(CNC[C@H](C)C(F)(F)F)ccc1C#N ZINC000440624117 384115580 /nfs/dbraw/zinc/11/55/80/384115580.db2.gz IJSSNFIUKZQLCN-VIFPVBQESA-N 0 3 272.270 2.855 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)[C@H]1CCCO1 ZINC000440627839 384116143 /nfs/dbraw/zinc/11/61/43/384116143.db2.gz VMATUNJWDCWXTJ-LSDHHAIUSA-N 0 3 274.364 2.614 20 30 CFEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(Cl)c1 ZINC000440638003 384117387 /nfs/dbraw/zinc/11/73/87/384117387.db2.gz IWHOCFMJZCNJPJ-CMPLNLGQSA-N 0 3 280.755 2.773 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OC(C)(C)C)c1 ZINC000440637897 384117490 /nfs/dbraw/zinc/11/74/90/384117490.db2.gz KWBUBVBZTPYPNO-LBPRGKRZSA-N 0 3 274.364 2.948 20 30 CFEDHN C=C(C)CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277122386 384208273 /nfs/dbraw/zinc/20/82/73/384208273.db2.gz HWJAQGHAWMJKFZ-CQSZACIVSA-N 0 3 257.337 2.828 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CO)C/C=C\C ZINC000641747967 384314420 /nfs/dbraw/zinc/31/44/20/384314420.db2.gz MSJWBXWUDDCAHR-UYWPIULCSA-N 0 3 261.365 2.668 20 30 CFEDHN CC(C)N1CCC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000267045297 384285999 /nfs/dbraw/zinc/28/59/99/384285999.db2.gz DHFIBJNXAORVDY-XJKSGUPXSA-N 0 3 285.391 2.608 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc2ccccc21 ZINC000641768686 384335103 /nfs/dbraw/zinc/33/51/03/384335103.db2.gz FZRNTKKEELYLDQ-INIZCTEOSA-N 0 3 253.345 2.704 20 30 CFEDHN N#Cc1ccc(NC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000277738140 384391588 /nfs/dbraw/zinc/39/15/88/384391588.db2.gz ZZWMZDHMFIUUEO-MRXNPFEDSA-N 0 3 298.390 2.697 20 30 CFEDHN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000267541159 384410247 /nfs/dbraw/zinc/41/02/47/384410247.db2.gz VJMCSYGFPCDPBR-MRXNPFEDSA-N 0 3 299.418 2.950 20 30 CFEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[C@H](C)C1 ZINC000267853320 384479014 /nfs/dbraw/zinc/47/90/14/384479014.db2.gz WUKQCNRCGYEUBV-BZUAXINKSA-N 0 3 299.418 2.910 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000268445805 384620786 /nfs/dbraw/zinc/62/07/86/384620786.db2.gz HGBSPHRSRGPGPQ-ZQGRQUNCSA-N 0 3 295.448 2.744 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCc1cccc(Br)c1 ZINC000643418917 384627961 /nfs/dbraw/zinc/62/79/61/384627961.db2.gz NTNULMKXRPGYOK-AWEZNQCLSA-N 0 3 298.224 2.860 20 30 CFEDHN C=CCC[C@@H](O)CN(CC)Cc1ccc2c(c1)OCO2 ZINC000268533095 384629193 /nfs/dbraw/zinc/62/91/93/384629193.db2.gz FWYLJQUJTKOECQ-CQSZACIVSA-N 0 3 277.364 2.564 20 30 CFEDHN C=CCOCCNc1c(C)cnc2c(C)cccc21 ZINC000680896930 542381966 /nfs/dbraw/zinc/38/19/66/542381966.db2.gz OKIPTNHAYQFDGR-UHFFFAOYSA-N 0 3 256.349 2.888 20 30 CFEDHN C=CCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000279545286 384672410 /nfs/dbraw/zinc/67/24/10/384672410.db2.gz MEHRGXCKRVIEHS-HOTGVXAUSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CC(C)(C)CCNC(=O)c1cccc2c1CNC2 ZINC000638455172 384672903 /nfs/dbraw/zinc/67/29/03/384672903.db2.gz STBKQAHCOMBFBX-UHFFFAOYSA-N 0 3 258.365 2.622 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000268658685 384644225 /nfs/dbraw/zinc/64/42/25/384644225.db2.gz LLSYEZLLCSIEGX-SJORKVTESA-N 0 3 281.359 2.757 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccc(F)cc1 ZINC000680989309 542394962 /nfs/dbraw/zinc/39/49/62/542394962.db2.gz FBUGVMPCHJGJOH-DNVCBOLYSA-N 0 3 297.373 2.931 20 30 CFEDHN C=CCC[C@H](CC)NCc1ccc(C(=O)OC)o1 ZINC000268863669 384679751 /nfs/dbraw/zinc/67/97/51/384679751.db2.gz GRLWBAOECMTPOU-NSHDSACASA-N 0 3 251.326 2.901 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCC#Cc1ccc(F)cc1 ZINC000680989308 542394854 /nfs/dbraw/zinc/39/48/54/542394854.db2.gz FBUGVMPCHJGJOH-BEFAXECRSA-N 0 3 297.373 2.931 20 30 CFEDHN C=CCOCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000279573585 384683412 /nfs/dbraw/zinc/68/34/12/384683412.db2.gz TWFZAXBRONIDKO-CQSZACIVSA-N 0 3 269.772 2.820 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000638474062 384685082 /nfs/dbraw/zinc/68/50/82/384685082.db2.gz HAWZXLGVGDJKHQ-XJKSGUPXSA-N 0 3 270.376 2.646 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(C(=O)OC)o1 ZINC000268897299 384688185 /nfs/dbraw/zinc/68/81/85/384688185.db2.gz PLCIGRZGDOCCFY-GHMZBOCLSA-N 0 3 251.326 2.757 20 30 CFEDHN COc1ccc(CNC[C@H](O)c2cccc(C)c2)cc1C#N ZINC000268954765 384700724 /nfs/dbraw/zinc/70/07/24/384700724.db2.gz FTTLADZBGZOIJM-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCCNc2ccccn2)cc1 ZINC000268974751 384706053 /nfs/dbraw/zinc/70/60/53/384706053.db2.gz JAKCFEGXKGIDJF-OAHLLOKOSA-N 0 3 295.386 2.856 20 30 CFEDHN C=CCCOCCN[C@H](C)[C@H](OC)c1ccccc1 ZINC000279679872 384720331 /nfs/dbraw/zinc/72/03/31/384720331.db2.gz HAPJFNKJFNKBKT-ZBFHGGJFSA-N 0 3 263.381 2.945 20 30 CFEDHN N#Cc1ccc(CNCC2(CCO)CCCC2)c(F)c1 ZINC000269391817 384753442 /nfs/dbraw/zinc/75/34/42/384753442.db2.gz CUDKKZQBFXJZFP-UHFFFAOYSA-N 0 3 276.355 2.730 20 30 CFEDHN CC(C)C[C@@H](CCO)CNCc1ccc(C#N)cc1F ZINC000269423455 384757619 /nfs/dbraw/zinc/75/76/19/384757619.db2.gz MTZMMSFXWAPQLI-CQSZACIVSA-N 0 3 278.371 2.832 20 30 CFEDHN C[C@@H]1CCCN(CCNCc2ccc(C#N)cc2F)C1 ZINC000269425765 384758270 /nfs/dbraw/zinc/75/82/70/384758270.db2.gz NLXFIMJDPJLXKN-CYBMUJFWSA-N 0 3 275.371 2.519 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@H]2CCO[C@H]21 ZINC000269422080 384758454 /nfs/dbraw/zinc/75/84/54/384758454.db2.gz LZZMNPSTQLLRGR-BPLDGKMQSA-N 0 3 274.339 2.600 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc3c(c2)CCO3)c(F)c1 ZINC000269446610 384759646 /nfs/dbraw/zinc/75/96/46/384759646.db2.gz UXJOLLLZSVEOTF-UHFFFAOYSA-N 0 3 296.345 2.965 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000269444916 384760239 /nfs/dbraw/zinc/76/02/39/384760239.db2.gz UHYXGGFTAHJMQR-UHFFFAOYSA-N 0 3 297.377 2.919 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2ccccc2n1CC ZINC000643793791 384763679 /nfs/dbraw/zinc/76/36/79/384763679.db2.gz WJYBUUUURIQFHN-BBRMVZONSA-N 0 3 285.391 2.737 20 30 CFEDHN C[C@@H](NCCOc1ncccc1F)c1ccc(C#N)cc1 ZINC000269497099 384768069 /nfs/dbraw/zinc/76/80/69/384768069.db2.gz VKYFHMBQKFSXCC-GFCCVEGCSA-N 0 3 285.322 2.822 20 30 CFEDHN COC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000269582096 384796507 /nfs/dbraw/zinc/79/65/07/384796507.db2.gz HDXPUOZOUFUZTM-AWEZNQCLSA-N 0 3 263.768 2.660 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H]1NCC1(C)C ZINC000643978728 384801072 /nfs/dbraw/zinc/80/10/72/384801072.db2.gz YKVXBZPWDZWURR-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN CN(Cc1cccc(C#N)c1)CC1CCC(=O)CC1 ZINC000289293527 197286527 /nfs/dbraw/zinc/28/65/27/197286527.db2.gz HJQYUGJQKJEQGQ-UHFFFAOYSA-N 0 3 256.349 2.749 20 30 CFEDHN C#Cc1ccc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1 ZINC000289290294 197285385 /nfs/dbraw/zinc/28/53/85/197285385.db2.gz POJRPQLIOCHZFU-LSDHHAIUSA-N 0 3 284.403 2.547 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(Br)cn1 ZINC000280266148 384950209 /nfs/dbraw/zinc/95/02/09/384950209.db2.gz CMMVDZFRFVFAGJ-JQWIXIFHSA-N 0 3 299.212 2.822 20 30 CFEDHN CN(C)CCN(Cc1ccc(F)cc1)c1cccc(C#N)n1 ZINC000270033003 384951212 /nfs/dbraw/zinc/95/12/12/384951212.db2.gz HJKTXROQKRTQFB-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN CO[C@]1(C)CCCN(Cc2ccccc2C#N)CC1 ZINC000280351995 384986506 /nfs/dbraw/zinc/98/65/06/384986506.db2.gz SXDLAGRAEGYZGI-MRXNPFEDSA-N 0 3 258.365 2.949 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000638875205 385009470 /nfs/dbraw/zinc/00/94/70/385009470.db2.gz OTBPJIDCUYWCHK-HNNXBMFYSA-N 0 3 274.408 2.665 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(CC#N)cc1 ZINC000270325362 385056295 /nfs/dbraw/zinc/05/62/95/385056295.db2.gz ZJIOEQHEZBLHKI-CABCVRRESA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(CC#N)cc1 ZINC000270325365 385056719 /nfs/dbraw/zinc/05/67/19/385056719.db2.gz ZJIOEQHEZBLHKI-GJZGRUSLSA-N 0 3 299.418 2.603 20 30 CFEDHN C=CCOCCNCc1cc(Cl)cc(Cl)c1N ZINC000638968331 385060532 /nfs/dbraw/zinc/06/05/32/385060532.db2.gz IRKMRKZZGCCKQT-UHFFFAOYSA-N 0 3 275.179 2.868 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000280561851 385060804 /nfs/dbraw/zinc/06/08/04/385060804.db2.gz FXFRPKVVOAZFRO-YOEHRIQHSA-N 0 3 291.391 2.862 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000644814738 385075088 /nfs/dbraw/zinc/07/50/88/385075088.db2.gz LTNWMUUDSICWJD-PVAVHDDUSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281120730 385184186 /nfs/dbraw/zinc/18/41/86/385184186.db2.gz BHGFYBPHJJFKIE-HZPDHXFCSA-N 0 3 281.359 2.711 20 30 CFEDHN CC(C#N)C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000352680216 533108229 /nfs/dbraw/zinc/10/82/29/533108229.db2.gz VTGZRWVVKDUFIA-JTQLQIEISA-N 0 3 250.729 2.501 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccnc1Cl ZINC000280760632 385142889 /nfs/dbraw/zinc/14/28/89/385142889.db2.gz YQHMJDKQLZVUEP-WCQYABFASA-N 0 3 266.772 2.806 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C(=O)OCC)o1 ZINC000280814642 385164776 /nfs/dbraw/zinc/16/47/76/385164776.db2.gz UQRGULXGVWCZRO-WFASDCNBSA-N 0 3 293.363 2.527 20 30 CFEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000270640853 385173313 /nfs/dbraw/zinc/17/33/13/385173313.db2.gz JTXVDZMPZXCTBF-BZNIZROVSA-N 0 3 288.322 2.892 20 30 CFEDHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000270640859 385173750 /nfs/dbraw/zinc/17/37/50/385173750.db2.gz JTXVDZMPZXCTBF-ZBEGNZNMSA-N 0 3 288.322 2.892 20 30 CFEDHN C=CCOCCN1CCS[C@H](c2ccccc2)C1 ZINC000645087775 385180721 /nfs/dbraw/zinc/18/07/21/385180721.db2.gz UVGFSWLJPXUDCW-HNNXBMFYSA-N 0 3 263.406 2.979 20 30 CFEDHN C=CCCCNCc1cnn2cc(Br)cnc12 ZINC000639117432 385213867 /nfs/dbraw/zinc/21/38/67/385213867.db2.gz DCXJOQPGHCUGPK-UHFFFAOYSA-N 0 3 295.184 2.548 20 30 CFEDHN C=CCCCNCc1snc(OC)c1Br ZINC000639117056 385214398 /nfs/dbraw/zinc/21/43/98/385214398.db2.gz BLXMWBIEDIIGBA-UHFFFAOYSA-N 0 3 291.214 2.970 20 30 CFEDHN CC(C#N)C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1 ZINC000355865229 533108730 /nfs/dbraw/zinc/10/87/30/533108730.db2.gz IPNCVVUVCZFBPX-LBPRGKRZSA-N 0 3 288.347 2.521 20 30 CFEDHN Cc1nccn1CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000270882333 385256725 /nfs/dbraw/zinc/25/67/25/385256725.db2.gz WCJAIFHQYVDBDE-UHFFFAOYSA-N 0 3 282.391 2.974 20 30 CFEDHN C#CCCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000282424244 385308225 /nfs/dbraw/zinc/30/82/25/385308225.db2.gz IRYJWOQZSFZVRN-QGZVFWFLSA-N 0 3 280.371 2.593 20 30 CFEDHN COCC1(C#N)CCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000347183781 533112178 /nfs/dbraw/zinc/11/21/78/533112178.db2.gz LPXKTNYRVOGECL-HNNXBMFYSA-N 0 3 270.376 2.578 20 30 CFEDHN CN(CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000271006742 385300125 /nfs/dbraw/zinc/30/01/25/385300125.db2.gz NXFCGVFRJZEOGD-UHFFFAOYSA-N 0 3 296.370 2.561 20 30 CFEDHN C=CCN(CCc1ccccc1)Cc1cnn(CCOC)c1 ZINC000271129308 385344211 /nfs/dbraw/zinc/34/42/11/385344211.db2.gz IWHWSDHEFYRMGV-UHFFFAOYSA-N 0 3 299.418 2.760 20 30 CFEDHN C=C(C)CCNCc1snc(OC)c1Br ZINC000639225783 385351141 /nfs/dbraw/zinc/35/11/41/385351141.db2.gz AAZIKSFRAGLWBC-UHFFFAOYSA-N 0 3 291.214 2.970 20 30 CFEDHN C=C1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000271168686 385360387 /nfs/dbraw/zinc/36/03/87/385360387.db2.gz ONWNYHOHVVLPDV-UHFFFAOYSA-N 0 3 272.392 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2ccc(F)c(F)c2n1 ZINC000639246978 385376943 /nfs/dbraw/zinc/37/69/43/385376943.db2.gz QLJGNSXWVJHRAL-KGLIPLIRSA-N 0 3 290.313 2.946 20 30 CFEDHN CC(C#N)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000344337332 533113296 /nfs/dbraw/zinc/11/32/96/533113296.db2.gz NTBBSEQXKOMTNB-QMMMGPOBSA-N 0 3 293.779 2.768 20 30 CFEDHN C=C(C)CNCc1c(C)nn(-c2ccccn2)c1C ZINC000282785589 385387782 /nfs/dbraw/zinc/38/77/82/385387782.db2.gz LISZGNDUWVJBCY-UHFFFAOYSA-N 0 3 256.353 2.550 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](C)c2cscn2)CC1 ZINC000271070139 385328153 /nfs/dbraw/zinc/32/81/53/385328153.db2.gz DZVCGRMRRDZNQF-LBPRGKRZSA-N 0 3 265.426 2.834 20 30 CFEDHN C[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271961763 385412593 /nfs/dbraw/zinc/41/25/93/385412593.db2.gz RPYAQZPCWQYTCG-SUMWQHHRSA-N 0 3 298.361 2.952 20 30 CFEDHN Cc1cc([C@H]2CCCN(Cc3ccc(C#N)o3)C2)[nH]n1 ZINC000283003779 385422446 /nfs/dbraw/zinc/42/24/46/385422446.db2.gz KVIIZCNSKJJYGF-LBPRGKRZSA-N 0 3 270.336 2.562 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000272022222 385427887 /nfs/dbraw/zinc/42/78/87/385427887.db2.gz NJDVEENIACBFMK-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN CS[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000272021267 385428060 /nfs/dbraw/zinc/42/80/60/385428060.db2.gz LOGDOKSVSIHPLK-VBNZEHGJSA-N 0 3 289.448 2.597 20 30 CFEDHN CC(C)(C)OC1CC(NCc2cccc(C#N)c2)C1 ZINC000272222095 385478610 /nfs/dbraw/zinc/47/86/10/385478610.db2.gz CGUFERZCSMXMNC-UHFFFAOYSA-N 0 3 258.365 2.994 20 30 CFEDHN C=C(C)CN1CCC(NCc2cn3cc(C)ccc3n2)CC1 ZINC000284050310 385529034 /nfs/dbraw/zinc/52/90/34/385529034.db2.gz SHMSFEGUJMNRJO-UHFFFAOYSA-N 0 3 298.434 2.773 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc(C#N)s1 ZINC000272367567 385521305 /nfs/dbraw/zinc/52/13/05/385521305.db2.gz ATUMYTLCIIIHPH-ZFWWWQNUSA-N 0 3 292.404 2.831 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000286341018 385593966 /nfs/dbraw/zinc/59/39/66/385593966.db2.gz LZEIOODASFTFIN-SUMWQHHRSA-N 0 3 297.402 2.824 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)[C@@H](CO)SC)c1ccco1 ZINC000286378107 385602921 /nfs/dbraw/zinc/60/29/21/385602921.db2.gz ZWXFSEBOKTVVIA-SGMGOOAPSA-N 0 3 269.410 2.989 20 30 CFEDHN C=CCC[C@@H](NC[C@H](O)C1CCOCC1)c1ccco1 ZINC000286314609 385587850 /nfs/dbraw/zinc/58/78/50/385587850.db2.gz XQWULPYFZRHVEW-CABCVRRESA-N 0 3 279.380 2.664 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccc(C)cc1 ZINC000272813288 385623584 /nfs/dbraw/zinc/62/35/84/385623584.db2.gz DMSZWWWBISVUMG-HNNXBMFYSA-N 0 3 281.421 2.637 20 30 CFEDHN C=CCOc1cccc(CN(C)CCc2cnccn2)c1 ZINC000272856158 385633883 /nfs/dbraw/zinc/63/38/83/385633883.db2.gz TYDVSASOLLTMIV-UHFFFAOYSA-N 0 3 283.375 2.716 20 30 CFEDHN C=CCCCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000288676529 197143325 /nfs/dbraw/zinc/14/33/25/197143325.db2.gz YPKMQKLRFFEZAO-OAHLLOKOSA-N 0 3 293.386 2.694 20 30 CFEDHN Cc1ccc(C#N)c(N(C)CCCN(C)Cc2ccco2)n1 ZINC000286635794 385672022 /nfs/dbraw/zinc/67/20/22/385672022.db2.gz VLLQVVSPUSDYKB-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN C#CCN(CCC(=O)Nc1ccccc1OCC)C1CC1 ZINC000274022391 385701272 /nfs/dbraw/zinc/70/12/72/385701272.db2.gz CGOXTWMKHUQXEZ-UHFFFAOYSA-N 0 3 286.375 2.512 20 30 CFEDHN C=CCCCCCN[C@H](c1nccn1C)C(C)(C)CO ZINC000639773929 385701469 /nfs/dbraw/zinc/70/14/69/385701469.db2.gz XESRIJCJXNQZGF-CQSZACIVSA-N 0 3 279.428 2.816 20 30 CFEDHN C=CCOCCN1CCC(c2ccc(F)cn2)CC1 ZINC000639874079 385742180 /nfs/dbraw/zinc/74/21/80/385742180.db2.gz POCMOTHMBQMZMA-UHFFFAOYSA-N 0 3 264.344 2.603 20 30 CFEDHN C[C@H]1C[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000274248388 385748016 /nfs/dbraw/zinc/74/80/16/385748016.db2.gz JEEMNQCMWINERU-CMPLNLGQSA-N 0 3 286.335 2.504 20 30 CFEDHN CC#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274293729 385758087 /nfs/dbraw/zinc/75/80/87/385758087.db2.gz CHTNYGSEOYAVKL-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN CC#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274293725 385758145 /nfs/dbraw/zinc/75/81/45/385758145.db2.gz CHTNYGSEOYAVKL-GOSISDBHSA-N 0 3 298.430 2.913 20 30 CFEDHN COCC#CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000639906475 385764263 /nfs/dbraw/zinc/76/42/63/385764263.db2.gz MVNJKYVMBMWSFL-CABCVRRESA-N 0 3 297.757 2.549 20 30 CFEDHN C=CCOCCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917861 385769945 /nfs/dbraw/zinc/76/99/45/385769945.db2.gz IJVGEANPYQALOY-ZDUSSCGKSA-N 0 3 289.297 2.531 20 30 CFEDHN C=CCCCCCCN[C@@H](C(N)=O)c1ccccc1 ZINC000287072936 385774599 /nfs/dbraw/zinc/77/45/99/385774599.db2.gz BNQFPHYBHVOMPK-OAHLLOKOSA-N 0 3 260.381 2.939 20 30 CFEDHN C=CCN1CC[C@H](N[C@](C)(CC)c2ccc(F)cc2)C1=O ZINC000639928787 385778391 /nfs/dbraw/zinc/77/83/91/385778391.db2.gz OHYAPAZTZSESRJ-DOTOQJQBSA-N 0 3 290.382 2.827 20 30 CFEDHN C=C(CC)CN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639810177 385720762 /nfs/dbraw/zinc/72/07/62/385720762.db2.gz SZBQGWMYKOIYTB-UHFFFAOYSA-N 0 3 280.437 2.787 20 30 CFEDHN C=CCCCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000274602602 385831339 /nfs/dbraw/zinc/83/13/39/385831339.db2.gz QNKJXEVTQYNFIC-CQSZACIVSA-N 0 3 281.421 2.795 20 30 CFEDHN C=C(C)[C@@H](NC[C@@H](O)COCC)c1ccc(F)c(F)c1 ZINC000274899018 385893648 /nfs/dbraw/zinc/89/36/48/385893648.db2.gz RZJVXNWQGBKVLI-IUODEOHRSA-N 0 3 285.334 2.569 20 30 CFEDHN C=CCN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000275044751 385920824 /nfs/dbraw/zinc/92/08/24/385920824.db2.gz RJJBYRVONZHNEQ-UHFFFAOYSA-N 0 3 258.365 2.540 20 30 CFEDHN C=C(C)CCN1CCN(c2ccccc2C#N)CC1 ZINC000274801198 385873687 /nfs/dbraw/zinc/87/36/87/385873687.db2.gz RBKPVXIUZMVHRQ-UHFFFAOYSA-N 0 3 255.365 2.646 20 30 CFEDHN C=CCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000276511506 385990177 /nfs/dbraw/zinc/99/01/77/385990177.db2.gz XPIBXZIXRVHTKC-INIZCTEOSA-N 0 3 283.375 2.562 20 30 CFEDHN Cn1cc(CN2CC[C@H](COc3ccccc3)C2)cc1C#N ZINC000276721892 386025665 /nfs/dbraw/zinc/02/56/65/386025665.db2.gz FMXJTRUVXQXGHR-HNNXBMFYSA-N 0 3 295.386 2.798 20 30 CFEDHN C[C@@H]1CCN(Cc2cc(C#N)n(C)c2)CC12CCC2 ZINC000276733826 386028347 /nfs/dbraw/zinc/02/83/47/386028347.db2.gz HUBYBNJQGFLZOA-CYBMUJFWSA-N 0 3 257.381 2.909 20 30 CFEDHN CCNC(=O)C1(CN[C@H](C)c2ccc(C#N)cc2)CCC1 ZINC000276821145 386052675 /nfs/dbraw/zinc/05/26/75/386052675.db2.gz GFOWUPIFWNLGDM-CYBMUJFWSA-N 0 3 285.391 2.515 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2c2c(F)cc(C#N)cc2F)C1 ZINC000277043045 386115582 /nfs/dbraw/zinc/11/55/82/386115582.db2.gz PLRFWAQWZUHJBE-DOMZBBRYSA-N 0 3 291.345 2.757 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288345229 197055308 /nfs/dbraw/zinc/05/53/08/197055308.db2.gz SXFGPILVQINGAM-AEFFLSMTSA-N 0 3 298.430 2.959 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000281356325 195208184 /nfs/dbraw/zinc/20/81/84/195208184.db2.gz MZRUNNJTGPARBW-CQSZACIVSA-N 0 3 293.411 2.708 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000681695613 542477629 /nfs/dbraw/zinc/47/76/29/542477629.db2.gz GLSOVRXSHORQFI-SNVBAGLBSA-N 0 3 290.190 2.851 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000186700131 260004777 /nfs/dbraw/zinc/00/47/77/260004777.db2.gz LUAKNGVTUXBUFE-MNOVXSKESA-N 0 3 299.798 2.945 20 30 CFEDHN C=CCC[C@@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000681726851 542482232 /nfs/dbraw/zinc/48/22/32/542482232.db2.gz KQPPTOGVHBZQDX-DLBZAZTESA-N 0 3 286.419 2.947 20 30 CFEDHN O=C(Nc1cccc2c1CNC2=O)C1CCN(C2CC2)CC1 ZINC000329234696 227371570 /nfs/dbraw/zinc/37/15/70/227371570.db2.gz MXAFFAXAPDIVTC-UHFFFAOYSA-N 0 3 299.374 2.967 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1sc(CC)nc1C ZINC000186719976 260008820 /nfs/dbraw/zinc/00/88/20/260008820.db2.gz AEXLGTPFBSTHFU-ONGXEEELSA-N 0 3 254.399 2.602 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000116974457 260020438 /nfs/dbraw/zinc/02/04/38/260020438.db2.gz AYUFKKDGKRCJID-DZGCQCFKSA-N 0 3 275.396 2.553 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1nc2ccccn2n1)C(C)C ZINC000682238569 542537292 /nfs/dbraw/zinc/53/72/92/542537292.db2.gz LUSJTYZOQWILGN-HNNXBMFYSA-N 0 3 299.422 2.840 20 30 CFEDHN C=CCC(C)(C)CNCc1ccoc1C(=O)OC ZINC000336795262 262393805 /nfs/dbraw/zinc/39/38/05/262393805.db2.gz IZOPVFYETRIABI-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN CN(CCCN1CCCC1)c1snc(Cl)c1C#N ZINC000281784673 195380877 /nfs/dbraw/zinc/38/08/77/195380877.db2.gz HNAHGPWEHGDWNE-UHFFFAOYSA-N 0 3 284.816 2.590 20 30 CFEDHN COc1cc(CN[C@@H]2CCCC[C@@H]2OC)ccc1C#N ZINC000281819847 195396347 /nfs/dbraw/zinc/39/63/47/195396347.db2.gz WVCXLGQBAYMVFD-CABCVRRESA-N 0 3 274.364 2.614 20 30 CFEDHN Cc1ccc([C@@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000283748048 195912167 /nfs/dbraw/zinc/91/21/67/195912167.db2.gz KMHZOXIHTRELRY-MRXNPFEDSA-N 0 3 280.375 2.977 20 30 CFEDHN COCCCCN(Cc1ccccc1)C(=O)C(C)C#N ZINC000347085614 533255841 /nfs/dbraw/zinc/25/58/41/533255841.db2.gz ZWJBLYBYBUXXMX-CQSZACIVSA-N 0 3 274.364 2.601 20 30 CFEDHN C[C@@H](NCC1(CCO)CC1)c1ccc(C#N)c(F)c1 ZINC000427968998 533356612 /nfs/dbraw/zinc/35/66/12/533356612.db2.gz VZKRKBPASVVLGS-LLVKDONJSA-N 0 3 262.328 2.511 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000430737505 533357469 /nfs/dbraw/zinc/35/74/69/533357469.db2.gz BVQGSORGHXQUOS-LLVKDONJSA-N 0 3 259.309 2.939 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426484276 533497240 /nfs/dbraw/zinc/49/72/40/533497240.db2.gz FVMOTRZWZBXYTI-DZGCQCFKSA-N 0 3 256.349 2.941 20 30 CFEDHN COc1ccc(CN(CCCC#N)[C@@H](CO)C(C)C)cc1 ZINC000352702504 533548512 /nfs/dbraw/zinc/54/85/12/533548512.db2.gz YAENHRNEPFVVHD-KRWDZBQOSA-N 0 3 290.407 2.818 20 30 CFEDHN C=CCOc1cccc(CN[C@@]2(CC)CCOC2)c1 ZINC000682952048 542616221 /nfs/dbraw/zinc/61/62/21/542616221.db2.gz DAZNSCAERDWDQU-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN CCn1nccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000682995045 542623449 /nfs/dbraw/zinc/62/34/49/542623449.db2.gz NVTDZFUWLRNRFS-CQSZACIVSA-N 0 3 290.326 2.941 20 30 CFEDHN CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC000373813857 393472609 /nfs/dbraw/zinc/47/26/09/393472609.db2.gz YFUJDENCHXQFFC-MOPGFXCFSA-N 0 3 296.414 2.513 20 30 CFEDHN C#CCCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000373794546 393472768 /nfs/dbraw/zinc/47/27/68/393472768.db2.gz HXDQIQQYJKITRM-BBRMVZONSA-N 0 3 290.432 2.661 20 30 CFEDHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC000373813862 393473287 /nfs/dbraw/zinc/47/32/87/393473287.db2.gz YFUJDENCHXQFFC-RTBURBONSA-N 0 3 296.414 2.513 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](c2ccco2)C1 ZINC000374003025 393478854 /nfs/dbraw/zinc/47/88/54/393478854.db2.gz NZJBNXSDTMKNCA-GJZGRUSLSA-N 0 3 290.407 2.882 20 30 CFEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000374178831 393487739 /nfs/dbraw/zinc/48/77/39/393487739.db2.gz QGRBSXDCLNMWQE-HOCLYGCPSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000184283929 393526111 /nfs/dbraw/zinc/52/61/11/393526111.db2.gz SQSDHLVDVSMAIP-AWEZNQCLSA-N 0 3 257.333 2.973 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000184284569 393526469 /nfs/dbraw/zinc/52/64/69/393526469.db2.gz MWWIKHCQJXVZBO-LLVKDONJSA-N 0 3 277.261 2.871 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000184283944 393526519 /nfs/dbraw/zinc/52/65/19/393526519.db2.gz SQSDHLVDVSMAIP-CQSZACIVSA-N 0 3 257.333 2.973 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000184282433 393526540 /nfs/dbraw/zinc/52/65/40/393526540.db2.gz CLWQNHBXEIIXTQ-LBPRGKRZSA-N 0 3 289.297 2.654 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1nc(C)cs1 ZINC000184434985 393528962 /nfs/dbraw/zinc/52/89/62/393528962.db2.gz OWPSOMRFVYOFQF-NEPJUHHUSA-N 0 3 254.399 2.819 20 30 CFEDHN CC1CCC(C)(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330277020 393553012 /nfs/dbraw/zinc/55/30/12/393553012.db2.gz NRVBZAAHYFPLDX-MFOWVQHXSA-N 0 3 290.411 2.670 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC(=O)N1 ZINC000329649205 393547063 /nfs/dbraw/zinc/54/70/63/393547063.db2.gz BUDPTRXOSAMLQU-CIQGVGRVSA-N 0 3 293.411 2.571 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C#N)CCCC1 ZINC000329842150 393548741 /nfs/dbraw/zinc/54/87/41/393548741.db2.gz OWZLUNWVUJGDNO-YPMHNXCESA-N 0 3 261.369 2.510 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C#N)CCCC1 ZINC000329842146 393548836 /nfs/dbraw/zinc/54/88/36/393548836.db2.gz OWZLUNWVUJGDNO-DGCLKSJQSA-N 0 3 261.369 2.510 20 30 CFEDHN C=CCSCCNCc1cc(OC)ccc1OC ZINC000222061454 413066480 /nfs/dbraw/zinc/06/64/80/413066480.db2.gz IMPKJLMHPVJHJB-UHFFFAOYSA-N 0 3 267.394 2.713 20 30 CFEDHN CC1(C)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000334403210 393599156 /nfs/dbraw/zinc/59/91/56/393599156.db2.gz ZYTMVMPKGHBPEB-UHFFFAOYSA-N 0 3 254.337 2.580 20 30 CFEDHN C=CC[C@@H]1N(C(=O)NC2CCN(C)CC2)CCCC1(C)C ZINC000334196229 393578449 /nfs/dbraw/zinc/57/84/49/393578449.db2.gz ZCKYRKFFVJHCEW-HNNXBMFYSA-N 0 3 293.455 2.857 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1O ZINC000192800038 393632664 /nfs/dbraw/zinc/63/26/64/393632664.db2.gz XUAJGDYJGNNRKQ-AAEUAGOBSA-N 0 3 260.337 2.573 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000335116599 393644440 /nfs/dbraw/zinc/64/44/40/393644440.db2.gz LOFXBQXCLNVOBO-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN CC[C@H]1CN(CCOc2ccc(C#N)cc2)CCS1 ZINC000076072304 393683499 /nfs/dbraw/zinc/68/34/99/393683499.db2.gz OEIACJQBUOVRCT-HNNXBMFYSA-N 0 3 276.405 2.764 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000335500516 393672833 /nfs/dbraw/zinc/67/28/33/393672833.db2.gz QIGHAYZFOBXHPQ-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000411642348 393733422 /nfs/dbraw/zinc/73/34/22/393733422.db2.gz MWCZSKQNBPQLKG-UHFFFAOYSA-N 0 3 295.358 2.674 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000411894475 393757337 /nfs/dbraw/zinc/75/73/37/393757337.db2.gz QMRWBFQUKYJNTB-JMGFVUJMSA-N 0 3 256.349 2.581 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411991130 393759355 /nfs/dbraw/zinc/75/93/55/393759355.db2.gz UBKGUFQDTMJQMR-NVXWUHKLSA-N 0 3 298.430 2.947 20 30 CFEDHN COC1([C@@H](C)NCC#Cc2ccc(F)cc2)CCC1 ZINC000412018580 393760225 /nfs/dbraw/zinc/76/02/25/393760225.db2.gz BUWJGSBSQNBFJN-CYBMUJFWSA-N 0 3 261.340 2.724 20 30 CFEDHN C=C(C)CN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000194956476 393725148 /nfs/dbraw/zinc/72/51/48/393725148.db2.gz FMCGNNNEPPGFMS-UHFFFAOYSA-N 0 3 265.353 2.720 20 30 CFEDHN C=CCN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412263520 393764965 /nfs/dbraw/zinc/76/49/65/393764965.db2.gz TUUVREAHINAWMY-UHFFFAOYSA-N 0 3 272.392 2.931 20 30 CFEDHN C=CCCC(=O)Nc1ccc(OCCN(C)C)cc1OC ZINC000412562510 393770156 /nfs/dbraw/zinc/77/01/56/393770156.db2.gz IIAHFEOEBQUHTC-UHFFFAOYSA-N 0 3 292.379 2.540 20 30 CFEDHN C[C@@H](C#N)CN(C(=O)c1ccc(CN(C)C)cc1)C1CC1 ZINC000338390585 393786766 /nfs/dbraw/zinc/78/67/66/393786766.db2.gz VILJMQZEHAYUEZ-ZDUSSCGKSA-N 0 3 285.391 2.512 20 30 CFEDHN C=CCC1(NC(=O)[C@H](CC)N(C)C)CCCCC1 ZINC000413847411 393791107 /nfs/dbraw/zinc/79/11/07/393791107.db2.gz UHKFDLGOJSLSFF-ZDUSSCGKSA-N 0 3 252.402 2.722 20 30 CFEDHN CC1(C)C[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000413958996 393792246 /nfs/dbraw/zinc/79/22/46/393792246.db2.gz PTZFMPBXWKLBDG-KBPBESRZSA-N 0 3 256.349 2.674 20 30 CFEDHN C=C(C)CN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338598548 393793089 /nfs/dbraw/zinc/79/30/89/393793089.db2.gz PLAYHRUPDAVSHU-UHFFFAOYSA-N 0 3 268.364 2.808 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)Cc1nc[nH]c1C ZINC000413980065 393793275 /nfs/dbraw/zinc/79/32/75/393793275.db2.gz CEGSCTZEUYFMDK-OAHLLOKOSA-N 0 3 283.375 2.564 20 30 CFEDHN CC[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000414217586 393797057 /nfs/dbraw/zinc/79/70/57/393797057.db2.gz YPIZZGLHGOMTKG-XHSDSOJGSA-N 0 3 256.349 2.703 20 30 CFEDHN CN(C)C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N ZINC000094335285 393807713 /nfs/dbraw/zinc/80/77/13/393807713.db2.gz YFDYVRHMFLIIOB-NSHDSACASA-N 0 3 298.312 2.502 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1ccc2ncsc2c1 ZINC000339089565 393817864 /nfs/dbraw/zinc/81/78/64/393817864.db2.gz BQBVBBUJAKHEKA-LLVKDONJSA-N 0 3 275.377 2.877 20 30 CFEDHN C=CCOCCN1CCN(c2ccccc2)C[C@@H]1CC ZINC000339096639 393818234 /nfs/dbraw/zinc/81/82/34/393818234.db2.gz UDNSHOWRDRTUKT-INIZCTEOSA-N 0 3 274.408 2.790 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@H](C)N1CCCC[C@@H]1C)OCC ZINC000339422015 393825085 /nfs/dbraw/zinc/82/50/85/393825085.db2.gz RDVXCFLLJFCVSZ-JYJNAYRXSA-N 0 3 296.455 2.737 20 30 CFEDHN CN(CCC(=O)OC(C)(C)C)CCC(C)(C)C#N ZINC000345718015 393914228 /nfs/dbraw/zinc/91/42/28/393914228.db2.gz VRALHJZJSCUZIG-UHFFFAOYSA-N 0 3 254.374 2.590 20 30 CFEDHN CN(C(=O)c1sccc1C#N)C(C)(C)CN1CCCC1 ZINC000416096170 393871356 /nfs/dbraw/zinc/87/13/56/393871356.db2.gz DDEDKTSCIBGMOO-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN CCCN(CC1(C#N)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000343318623 393883927 /nfs/dbraw/zinc/88/39/27/393883927.db2.gz YOUBAZYGGJNUPD-MCIONIFRSA-N 0 3 262.397 2.816 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(CCC)CCC2)CC1 ZINC000345648318 393912277 /nfs/dbraw/zinc/91/22/77/393912277.db2.gz NUCKVVHXCNXJKB-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(CNC(=O)[C@H](CC)N(CC)CC)c1ccccc1 ZINC000345623114 393912478 /nfs/dbraw/zinc/91/24/78/393912478.db2.gz LALGCKBCRRXJSG-INIZCTEOSA-N 0 3 274.408 2.936 20 30 CFEDHN CO[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000471778225 393914445 /nfs/dbraw/zinc/91/44/45/393914445.db2.gz DHNRSSTZQOLAPG-WCFLWFBJSA-N 0 3 262.328 2.915 20 30 CFEDHN CC(C)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471044898 393903242 /nfs/dbraw/zinc/90/32/42/393903242.db2.gz VOFWVCXEXOJFEC-SJORKVTESA-N 0 3 295.386 2.745 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)N1CCC[C@H](C)C1 ZINC000246287739 393859164 /nfs/dbraw/zinc/85/91/64/393859164.db2.gz XNRABOCRWPHVIT-QWHCGFSZSA-N 0 3 277.437 2.830 20 30 CFEDHN C=CCC[C@@H](NCc1ccc(S(C)(=O)=O)s1)C1CC1 ZINC000345493026 393910029 /nfs/dbraw/zinc/91/00/29/393910029.db2.gz UZSKCEKSNSEEIK-CYBMUJFWSA-N 0 3 299.461 2.986 20 30 CFEDHN CCCCN(C)C(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345727288 393915436 /nfs/dbraw/zinc/91/54/36/393915436.db2.gz FHFQEYHODYZZSJ-UHFFFAOYSA-N 0 3 293.455 2.897 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000684621145 542838526 /nfs/dbraw/zinc/83/85/26/542838526.db2.gz SZSPIDNUIMKMJA-SFHVURJKSA-N 0 3 299.418 2.919 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000684630289 542840241 /nfs/dbraw/zinc/84/02/41/542840241.db2.gz INLHRUIVWLWFNR-HZPDHXFCSA-N 0 3 263.356 2.726 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@@H]1CCCO1 ZINC000119662678 393924362 /nfs/dbraw/zinc/92/43/62/393924362.db2.gz BYDOXNFDMNEOGY-OLZOCXBDSA-N 0 3 250.367 2.667 20 30 CFEDHN CC(C#N)C(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000346273397 393925329 /nfs/dbraw/zinc/92/53/29/393925329.db2.gz DBNYXTVDTGBWSM-HXSCFSKGSA-N 0 3 278.396 2.732 20 30 CFEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346271642 393925489 /nfs/dbraw/zinc/92/54/89/393925489.db2.gz GVMUZTBZCQVQGI-CABCVRRESA-N 0 3 291.439 2.695 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccoc1 ZINC000346320421 393926336 /nfs/dbraw/zinc/92/63/36/393926336.db2.gz ZROWIQVZRPUWHX-OAHLLOKOSA-N 0 3 268.316 2.668 20 30 CFEDHN C=CCCCCCN(C)C(=O)C1CCN(C)CC1 ZINC000346340319 393927170 /nfs/dbraw/zinc/92/71/70/393927170.db2.gz QGGWLDZBIYVXDP-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347484077 393941464 /nfs/dbraw/zinc/94/14/64/393941464.db2.gz MTBYFAVOQZKBDO-AWEZNQCLSA-N 0 3 266.429 2.827 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000416693176 393942551 /nfs/dbraw/zinc/94/25/51/393942551.db2.gz RWLNJHDZDFSGFR-KKUMJFAQSA-N 0 3 293.455 2.713 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000121052173 393947344 /nfs/dbraw/zinc/94/73/44/393947344.db2.gz BPAWFYSZMXVOCE-QLFBSQMISA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCCCN(C)CC(=O)N(CC(C)C)C(C)C ZINC000121091487 393947744 /nfs/dbraw/zinc/94/77/44/393947744.db2.gz COFZKCASQGXJJM-UHFFFAOYSA-N 0 3 254.418 2.777 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000121086942 393948277 /nfs/dbraw/zinc/94/82/77/393948277.db2.gz HMVXBKUNDLOBPK-AWEZNQCLSA-N 0 3 260.381 2.936 20 30 CFEDHN C=CCCCN(C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000121136779 393949415 /nfs/dbraw/zinc/94/94/15/393949415.db2.gz CAOZALCIKVEGFB-ZDUSSCGKSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346192267 393922431 /nfs/dbraw/zinc/92/24/31/393922431.db2.gz MUZNXPDOIYHFGE-XUWVNRHRSA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346177758 393922804 /nfs/dbraw/zinc/92/28/04/393922804.db2.gz IWOAMDSZIYBSAC-GFCCVEGCSA-N 0 3 262.328 2.941 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346195588 393922865 /nfs/dbraw/zinc/92/28/65/393922865.db2.gz QEVPERGCLBSKGB-ZMSDIMECSA-N 0 3 290.451 2.944 20 30 CFEDHN N#CCC1(CNCc2c[nH]nc2-c2ccccc2)CC1 ZINC000430068873 393954907 /nfs/dbraw/zinc/95/49/07/393954907.db2.gz XDDOJMNVYVCKDZ-UHFFFAOYSA-N 0 3 266.348 2.860 20 30 CFEDHN C=CCOc1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000348666003 393956319 /nfs/dbraw/zinc/95/63/19/393956319.db2.gz AUAVONIYRCAWJG-UHFFFAOYSA-N 0 3 270.332 2.642 20 30 CFEDHN C=CCOc1ccc(CN(C)C2CC(OC)C2)cc1 ZINC000348718880 393957337 /nfs/dbraw/zinc/95/73/37/393957337.db2.gz YIIBBPNSQZWZQD-UHFFFAOYSA-N 0 3 261.365 2.861 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCCOC1 ZINC000348713580 393957489 /nfs/dbraw/zinc/95/74/89/393957489.db2.gz WQJAWBPRZABMAE-MRXNPFEDSA-N 0 3 288.391 2.980 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(C)CC1)C(C)C ZINC000121836096 393961546 /nfs/dbraw/zinc/96/15/46/393961546.db2.gz CDPYMIFZUPNQEK-CQSZACIVSA-N 0 3 264.413 2.601 20 30 CFEDHN COc1cc(OC)cc(OCCCN(C)CCCC#N)c1 ZINC000121951215 393962339 /nfs/dbraw/zinc/96/23/39/393962339.db2.gz ACFWOJVBXKRLPR-UHFFFAOYSA-N 0 3 292.379 2.708 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CCOC(C)C ZINC000349239231 393965797 /nfs/dbraw/zinc/96/57/97/393965797.db2.gz FPJIQHNZUJHTBM-KRWDZBQOSA-N 0 3 277.408 2.851 20 30 CFEDHN CC(C)[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CCN1C ZINC000487104187 393984294 /nfs/dbraw/zinc/98/42/94/393984294.db2.gz ZGOBNGRYSXCOTF-KRWDZBQOSA-N 0 3 294.402 2.883 20 30 CFEDHN C[C@H](O)[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000267392234 393987188 /nfs/dbraw/zinc/98/71/88/393987188.db2.gz PDHLTPVIBYQTAZ-BBRMVZONSA-N 0 3 277.795 2.927 20 30 CFEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353259303 394027060 /nfs/dbraw/zinc/02/70/60/394027060.db2.gz DXTYWDKSQDGMBM-JKSUJKDBSA-N 0 3 258.365 2.806 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490301894 394043564 /nfs/dbraw/zinc/04/35/64/394043564.db2.gz RCDCVPWBWPNPPM-YHUYYLMFSA-N 0 3 293.455 2.713 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2=C(C)CCC2)CC1 ZINC000437220490 394050194 /nfs/dbraw/zinc/05/01/94/394050194.db2.gz VYHOFMMVGNEBOQ-UHFFFAOYSA-N 0 3 262.397 2.644 20 30 CFEDHN C#CCN(CCCc1cncn1C)Cc1ccc(F)cc1 ZINC000491483301 394052209 /nfs/dbraw/zinc/05/22/09/394052209.db2.gz AXJHPSKNVFQRJT-UHFFFAOYSA-N 0 3 285.366 2.627 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc(F)c2Cl)CC1 ZINC000491729138 394057478 /nfs/dbraw/zinc/05/74/78/394057478.db2.gz FEYBLJYQSUOAFJ-UHFFFAOYSA-N 0 3 294.757 2.763 20 30 CFEDHN C=C(C)[C@@H](NC(=O)/C=C\CN(C)C)c1ccc(F)c(F)c1 ZINC000492707047 394074829 /nfs/dbraw/zinc/07/48/29/394074829.db2.gz OEIWANVBEXEQKW-OGZRUICASA-N 0 3 294.345 2.816 20 30 CFEDHN C#C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(C)C ZINC000281867712 394085729 /nfs/dbraw/zinc/08/57/29/394085729.db2.gz DQJDLRMZLIDEKQ-OAHLLOKOSA-N 0 3 298.386 2.882 20 30 CFEDHN CC[C@@H](N[C@@H](CCOC)COC)c1ccc(C#N)cc1 ZINC000353638603 394033172 /nfs/dbraw/zinc/03/31/72/394033172.db2.gz BCTVGZOXBDFTFI-JKSUJKDBSA-N 0 3 276.380 2.650 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](CC)c2ccc(OC)cc2)C1=O ZINC000282037512 394114475 /nfs/dbraw/zinc/11/44/75/394114475.db2.gz QRDXQZFDJVEMAE-HZPDHXFCSA-N 0 3 288.391 2.523 20 30 CFEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(C#N)cc1Cl ZINC000439440739 394115380 /nfs/dbraw/zinc/11/53/80/394115380.db2.gz OUSTTYGDXJZIQQ-NWDGAFQWSA-N 0 3 277.799 2.736 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCCc2cccnc21 ZINC000358935075 394116341 /nfs/dbraw/zinc/11/63/41/394116341.db2.gz OCBVRVUBVAMJRM-OCCSQVGLSA-N 0 3 271.364 2.857 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359002896 394120357 /nfs/dbraw/zinc/12/03/57/394120357.db2.gz AANPXRIYYXTLGK-SQWLQELKSA-N 0 3 287.407 2.523 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000359066360 394122999 /nfs/dbraw/zinc/12/29/99/394122999.db2.gz CQZWQHXFDHXCRZ-UONOGXRCSA-N 0 3 252.402 2.722 20 30 CFEDHN CCc1ccc([C@@H](CO)NCCCSCC#N)cc1 ZINC000359535768 394136979 /nfs/dbraw/zinc/13/69/79/394136979.db2.gz IRDSEXHTNQTKFH-OAHLLOKOSA-N 0 3 278.421 2.519 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441285997 394137220 /nfs/dbraw/zinc/13/72/20/394137220.db2.gz YXQFUNHYOYNJSD-IAGOWNOFSA-N 0 3 287.378 2.926 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC2(CCOCC2)CC1 ZINC000284695371 394138564 /nfs/dbraw/zinc/13/85/64/394138564.db2.gz HUBDHOQCLNQMGJ-UHFFFAOYSA-N 0 3 269.388 2.931 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@](C)(C#N)CC)c1ccco1 ZINC000359541422 394138545 /nfs/dbraw/zinc/13/85/45/394138545.db2.gz DKGPZNCPELPRGK-XEZPLFJOSA-N 0 3 291.395 2.765 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccncc2OCC(F)F)C1 ZINC000442862433 394140188 /nfs/dbraw/zinc/14/01/88/394140188.db2.gz ZZHIRZIXROSFHL-YPMHNXCESA-N 0 3 295.333 2.897 20 30 CFEDHN CCN(C(=O)CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000360653285 394156914 /nfs/dbraw/zinc/15/69/14/394156914.db2.gz OWPAOEONBRCKAN-QGZVFWFLSA-N 0 3 299.418 2.803 20 30 CFEDHN CC(C)(CCC#N)CNCC(=O)Nc1cccc(F)c1 ZINC000360945116 394160964 /nfs/dbraw/zinc/16/09/64/394160964.db2.gz PYKDGIWNDVJSOC-UHFFFAOYSA-N 0 3 277.343 2.684 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000361154060 394166499 /nfs/dbraw/zinc/16/64/99/394166499.db2.gz OFCFLRWCFDRQKR-HUUCEWRRSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000361158279 394166796 /nfs/dbraw/zinc/16/67/96/394166796.db2.gz ZFMGQSULXRCQME-GJZGRUSLSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000361154909 394167224 /nfs/dbraw/zinc/16/72/24/394167224.db2.gz RMIGEGNNCMBPBM-TZMCWYRMSA-N 0 3 256.353 2.838 20 30 CFEDHN C=CCC[C@@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000361154909 394167227 /nfs/dbraw/zinc/16/72/27/394167227.db2.gz RMIGEGNNCMBPBM-TZMCWYRMSA-N 0 3 256.353 2.838 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000285942237 394170234 /nfs/dbraw/zinc/17/02/34/394170234.db2.gz DLDDGRQFGYPBMA-NSHDSACASA-N 0 3 283.393 2.778 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1CCc2ccc(OC)cc2C1 ZINC000133255941 394173138 /nfs/dbraw/zinc/17/31/38/394173138.db2.gz OIEDYBSXBQIFBD-CABCVRRESA-N 0 3 258.365 2.834 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)c(F)c2)CCCC[C@@H]1O ZINC000421365613 394203120 /nfs/dbraw/zinc/20/31/20/394203120.db2.gz QYSVMKVMAIPZHV-HOTGVXAUSA-N 0 3 276.355 2.728 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](CCO)CC2)s1 ZINC000421392103 394218235 /nfs/dbraw/zinc/21/82/35/394218235.db2.gz BPPHIDUJEGNAEC-GFCCVEGCSA-N 0 3 264.394 2.604 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000135690273 394225336 /nfs/dbraw/zinc/22/53/36/394225336.db2.gz LLXRSCWZXHGLMW-UHFFFAOYSA-N 0 3 287.344 2.860 20 30 CFEDHN C[C@H]1CC[C@H](CN2CCCN(c3ccc(C#N)cc3)CC2)O1 ZINC000365072155 394226439 /nfs/dbraw/zinc/22/64/39/394226439.db2.gz OPSNHFZBLQAGFR-MAUKXSAKSA-N 0 3 299.418 2.638 20 30 CFEDHN CCc1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000150846959 394254317 /nfs/dbraw/zinc/25/43/17/394254317.db2.gz NGDGARKSKJSIIL-UHFFFAOYSA-N 0 3 270.332 2.882 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1nc(Cl)c(C#N)s1 ZINC000286053567 394184502 /nfs/dbraw/zinc/18/45/02/394184502.db2.gz HZQBPAVZZPLXDJ-SECBINFHSA-N 0 3 284.816 2.954 20 30 CFEDHN CC[C@@H](CNc1nc(C)ccc1C#N)N1CCCC1 ZINC000286070560 394187330 /nfs/dbraw/zinc/18/73/30/394187330.db2.gz JAXOQUWRJBDTPY-AWEZNQCLSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCN(C(=O)NCC)C1)c1ccco1 ZINC000286098693 394192085 /nfs/dbraw/zinc/19/20/85/394192085.db2.gz MKSBTRYYBSJEDR-KBPBESRZSA-N 0 3 291.395 2.680 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(C#N)cc1F ZINC000286296686 394195446 /nfs/dbraw/zinc/19/54/46/394195446.db2.gz JDIHHFVHSONVBF-JSGCOSHPSA-N 0 3 273.355 2.760 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)s1)OC ZINC000291794537 394260721 /nfs/dbraw/zinc/26/07/21/394260721.db2.gz WPCADJJXALGATR-UHFFFAOYSA-N 0 3 252.383 2.915 20 30 CFEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H](C)N1C ZINC000293523835 394283445 /nfs/dbraw/zinc/28/34/45/394283445.db2.gz WITFULANUATDGP-OKILXGFUSA-N 0 3 276.811 2.716 20 30 CFEDHN CC[C@H](CO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000295644292 394301754 /nfs/dbraw/zinc/30/17/54/394301754.db2.gz GSXNRTLBGYWPDO-CQSZACIVSA-N 0 3 285.309 2.760 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000493780653 394314897 /nfs/dbraw/zinc/31/48/97/394314897.db2.gz DKJVLZMWNIWWCO-IWAYRVGRSA-N 0 3 297.402 2.513 20 30 CFEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC000453372643 394391997 /nfs/dbraw/zinc/39/19/97/394391997.db2.gz GQDIQPSXLJZXSL-NSHDSACASA-N 0 3 292.354 2.907 20 30 CFEDHN N#Cc1ccccc1OCCN[C@@H]1CCc2c1cccc2O ZINC000451181921 394365211 /nfs/dbraw/zinc/36/52/11/394365211.db2.gz VSMARBOJRHZFKX-MRXNPFEDSA-N 0 3 294.354 2.920 20 30 CFEDHN CSCCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000174086026 394377493 /nfs/dbraw/zinc/37/74/93/394377493.db2.gz PWUZHLMZTKUTII-DTQAZKPQSA-N 0 3 294.420 2.627 20 30 CFEDHN C=CCCCCCN(C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610881 542934167 /nfs/dbraw/zinc/93/41/67/542934167.db2.gz ZQYJPIVSHBWNNN-UHFFFAOYSA-N 0 3 296.436 2.512 20 30 CFEDHN Cc1ccccc1[C@H](CO)NCCOc1cccc(C#N)c1 ZINC000541052575 394662158 /nfs/dbraw/zinc/66/21/58/394662158.db2.gz FVWHDPWKXXPGEL-SFHVURJKSA-N 0 3 296.370 2.569 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1ccccn1)c1ccc(C#N)cc1 ZINC000538615687 394607542 /nfs/dbraw/zinc/60/75/42/394607542.db2.gz SJAFJSYHFDHVGM-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN CC[C@H](C)[C@@H](C)NCc1cccc(C(=O)OC)c1C#N ZINC000543472055 394732564 /nfs/dbraw/zinc/73/25/64/394732564.db2.gz OVMMHLKDDWWTFX-NWDGAFQWSA-N 0 3 274.364 2.869 20 30 CFEDHN CCC(C)(C)N(C)Cc1cccc(C(=O)OC)c1C#N ZINC000548427353 394930639 /nfs/dbraw/zinc/93/06/39/394930639.db2.gz QGABPKVAEAQNQG-UHFFFAOYSA-N 0 3 274.364 2.965 20 30 CFEDHN CC[C@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556086902 394990066 /nfs/dbraw/zinc/99/00/66/394990066.db2.gz OMNNCVVCXCMWCS-RDJZCZTQSA-N 0 3 297.402 2.928 20 30 CFEDHN CCN(C(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000558655665 395068850 /nfs/dbraw/zinc/06/88/50/395068850.db2.gz DHNHJKHKPCAEQU-HUUCEWRRSA-N 0 3 299.418 2.810 20 30 CFEDHN Cc1ccc2ncc(C#N)c(NCCN3CC=CCC3)c2c1 ZINC000558944658 395078830 /nfs/dbraw/zinc/07/88/30/395078830.db2.gz CKBGHHGEBKIEPJ-UHFFFAOYSA-N 0 3 292.386 2.511 20 30 CFEDHN Cc1cccc(CN2CC[C@H](Nc3ncccc3C#N)C2)c1 ZINC000601240605 395112196 /nfs/dbraw/zinc/11/21/96/395112196.db2.gz VILYIPCPMPGMEM-KRWDZBQOSA-N 0 3 292.386 2.948 20 30 CFEDHN C[C@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000647189390 395211596 /nfs/dbraw/zinc/21/15/96/395211596.db2.gz RORGQHUTLKJQIZ-FZMZJTMJSA-N 0 3 283.293 2.824 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000648997501 395390816 /nfs/dbraw/zinc/39/08/16/395390816.db2.gz QYNIXPMNMHFLKU-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(n2c(C)ccc2C)CC1 ZINC000649280133 395467110 /nfs/dbraw/zinc/46/71/10/395467110.db2.gz CLLHRQKYWGUQOI-MRXNPFEDSA-N 0 3 262.397 2.679 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(OC2CCC(C)CC2)CC1 ZINC000649303453 395470847 /nfs/dbraw/zinc/47/08/47/395470847.db2.gz WPQXUHQCJUSYIU-DQPZFDDXSA-N 0 3 281.440 2.983 20 30 CFEDHN C=CCN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649782223 395570203 /nfs/dbraw/zinc/57/02/03/395570203.db2.gz HLTPIWDSMGNWBA-AAEUAGOBSA-N 0 3 261.369 2.634 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(n3cc(Cl)cn3)CC2)C1 ZINC000334168257 413105028 /nfs/dbraw/zinc/10/50/28/413105028.db2.gz AWHYBRBTAXLQMH-SMDDNHRTSA-N 0 3 278.787 2.866 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)CC1CCCCC1 ZINC000044714943 397568281 /nfs/dbraw/zinc/56/82/81/397568281.db2.gz FVLMGKWYKXNGAK-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C[C@H](CO)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352849662 397658504 /nfs/dbraw/zinc/65/85/04/397658504.db2.gz XOZLEBJVJDWWPM-ZJUUUORDSA-N 0 3 286.297 2.684 20 30 CFEDHN Cc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000825157074 782002834 /nfs/dbraw/zinc/00/28/34/782002834.db2.gz KFJVAFPAEMEEEX-ZTFCMROMSA-N 0 3 253.305 2.736 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000660396699 413287736 /nfs/dbraw/zinc/28/77/36/413287736.db2.gz NOMCAVZTWPUWRB-JKSUJKDBSA-N 0 3 293.455 2.716 20 30 CFEDHN Cc1cc(NC[C@H]2N(C)CCCC2(C)C)cc(C#N)n1 ZINC000343055486 154098128 /nfs/dbraw/zinc/09/81/28/154098128.db2.gz SZLKKUUOBSOMOA-OAHLLOKOSA-N 0 3 272.396 2.794 20 30 CFEDHN CC[C@@H](NCc1ccc(F)cc1C#N)C1CCOCC1 ZINC000343389632 154193656 /nfs/dbraw/zinc/19/36/56/154193656.db2.gz QXQXIRFDAURHIB-MRXNPFEDSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000660420238 413301647 /nfs/dbraw/zinc/30/16/47/413301647.db2.gz IHCLBUOZJBUMJX-INIZCTEOSA-N 0 3 287.407 2.526 20 30 CFEDHN CO[C@@H](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358571214 155805223 /nfs/dbraw/zinc/80/52/23/155805223.db2.gz OUXKHCYDFGTNRT-QWRGUYRKSA-N 0 3 250.317 2.773 20 30 CFEDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000362960766 156129354 /nfs/dbraw/zinc/12/93/54/156129354.db2.gz RUQWTQYZWXFXHV-INIZCTEOSA-N 0 3 286.375 2.642 20 30 CFEDHN CN(C)[C@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000362982214 156136989 /nfs/dbraw/zinc/13/69/89/156136989.db2.gz IRPPNCMNLJUKTJ-CQSZACIVSA-N 0 3 299.399 2.652 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)c(F)c2)CCO[C@H]1C1CC1 ZINC000365259769 156228115 /nfs/dbraw/zinc/22/81/15/156228115.db2.gz RCSYNPGKQDVGJE-HOTGVXAUSA-N 0 3 274.339 2.745 20 30 CFEDHN COc1ccc(CN2CC[C@]3(C2)CCCOC3)cc1C#N ZINC000367449513 156332850 /nfs/dbraw/zinc/33/28/50/156332850.db2.gz MXCRPRNNZLIDGT-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC12CCOCC2 ZINC000374298110 157095933 /nfs/dbraw/zinc/09/59/33/157095933.db2.gz SXEXREBEGHBBLB-UHFFFAOYSA-N 0 3 286.375 2.712 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375406300 157239859 /nfs/dbraw/zinc/23/98/59/157239859.db2.gz SVOZQSJCMGVCMI-OAHLLOKOSA-N 0 3 294.358 2.808 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375410673 157242049 /nfs/dbraw/zinc/24/20/49/157242049.db2.gz AGIPNRNZZJGMMO-OAHLLOKOSA-N 0 3 294.358 2.808 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000408225239 157388294 /nfs/dbraw/zinc/38/82/94/157388294.db2.gz JCPGIGPQMWUBDL-STQMWFEESA-N 0 3 270.380 2.607 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)CCC(C)C)nn1 ZINC000657287144 413399261 /nfs/dbraw/zinc/39/92/61/413399261.db2.gz YHWZJXVOYXVRJX-ZDUSSCGKSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCCn1cc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)nn1 ZINC000653612324 413405142 /nfs/dbraw/zinc/40/51/42/413405142.db2.gz KKWHJYBLZSTDBQ-CWRNSKLLSA-N 0 3 274.412 2.865 20 30 CFEDHN C=CCCCCN[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660600381 413422964 /nfs/dbraw/zinc/42/29/64/413422964.db2.gz RGJFHSSODXWLFK-HNNXBMFYSA-N 0 3 277.412 2.570 20 30 CFEDHN CC(C)CC[C@@](C)(O)CNCc1ccc(C#N)cc1F ZINC000344442699 162044917 /nfs/dbraw/zinc/04/49/17/162044917.db2.gz RLIAKBDTNYRSRN-MRXNPFEDSA-N 0 3 278.371 2.974 20 30 CFEDHN CN(CCn1ccc(C#N)c1)Cc1ccc(F)cc1 ZINC000344521742 162060035 /nfs/dbraw/zinc/06/00/35/162060035.db2.gz QQZYNFHOUBJCMS-UHFFFAOYSA-N 0 3 257.312 2.631 20 30 CFEDHN COC[C@@H](Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000344703457 162103175 /nfs/dbraw/zinc/10/31/75/162103175.db2.gz UFCRVFSARXAVNW-OAHLLOKOSA-N 0 3 286.400 2.967 20 30 CFEDHN N#Cc1csc(CNCc2ccc3c(c2)COC3)c1 ZINC000344996122 162159722 /nfs/dbraw/zinc/15/97/22/162159722.db2.gz MYYYYNNOWGFQKS-UHFFFAOYSA-N 0 3 270.357 2.940 20 30 CFEDHN CC[C@@H](COC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346145237 162332441 /nfs/dbraw/zinc/33/24/41/162332441.db2.gz UWAKJRMQDIWFLH-MFKMUULPSA-N 0 3 250.317 2.773 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346161714 162333708 /nfs/dbraw/zinc/33/37/08/162333708.db2.gz CDLDGZJFIPOOMO-MEBBXXQBSA-N 0 3 262.328 2.509 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000346201062 162348291 /nfs/dbraw/zinc/34/82/91/162348291.db2.gz XAKGKLNEDYVTNO-HUUCEWRRSA-N 0 3 296.418 2.725 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000346195587 162349769 /nfs/dbraw/zinc/34/97/69/162349769.db2.gz RZBMXZLCJAQKGS-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000346202302 162352221 /nfs/dbraw/zinc/35/22/21/162352221.db2.gz YFQIXUWNIATLNE-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000653690938 413448847 /nfs/dbraw/zinc/44/88/47/413448847.db2.gz TWTRBZDFNYYWSX-HNNXBMFYSA-N 0 3 296.798 2.515 20 30 CFEDHN N#Cc1csc(CNCC2Cc3ccccc3C2)n1 ZINC000352812321 163238681 /nfs/dbraw/zinc/23/86/81/163238681.db2.gz XWXHDMLMDNAJHL-UHFFFAOYSA-N 0 3 269.373 2.519 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C#N)c(C)c2)CCOC1 ZINC000352824924 163244063 /nfs/dbraw/zinc/24/40/63/163244063.db2.gz OHAHSTYHTLLNQD-MRXNPFEDSA-N 0 3 258.365 2.916 20 30 CFEDHN CC[C@@H](CCO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352834778 163248446 /nfs/dbraw/zinc/24/84/46/163248446.db2.gz JGIUTKUWUVUKTM-LBPRGKRZSA-N 0 3 286.297 2.828 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCc3ccccc32)n1 ZINC000352842065 163249424 /nfs/dbraw/zinc/24/94/24/163249424.db2.gz ACXCKUBXZFUICB-LBPRGKRZSA-N 0 3 269.373 2.834 20 30 CFEDHN C[C@H]1CC(CCNCc2nc(C#N)cs2)C[C@H](C)O1 ZINC000352860396 163256120 /nfs/dbraw/zinc/25/61/20/163256120.db2.gz BEKCDCLUELHXOP-QWRGUYRKSA-N 0 3 279.409 2.698 20 30 CFEDHN C[C@@H](NCCOC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000353296329 163339937 /nfs/dbraw/zinc/33/99/37/163339937.db2.gz YUEGTJBNEZYJSB-MRVPVSSYSA-N 0 3 276.233 2.884 20 30 CFEDHN CN(C)c1ccc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353408336 163359356 /nfs/dbraw/zinc/35/93/56/163359356.db2.gz CRZUPJMNEKLPPT-KRWDZBQOSA-N 0 3 292.386 2.796 20 30 CFEDHN C[C@@H](O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000265453205 287077228 /nfs/dbraw/zinc/07/72/28/287077228.db2.gz DUHCPGJUCZKCDG-QWHCGFSZSA-N 0 3 258.365 2.712 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CO[C@H](CC)C1 ZINC000657357769 413491211 /nfs/dbraw/zinc/49/12/11/413491211.db2.gz RYDCLEBUKVDSLL-LSDHHAIUSA-N 0 3 261.365 2.909 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806152 413510984 /nfs/dbraw/zinc/51/09/84/413510984.db2.gz KFDIVKLOSLOEMA-KRWDZBQOSA-N 0 3 297.402 2.746 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)C[C@@H](C)CC)nn1 ZINC000657378436 413525255 /nfs/dbraw/zinc/52/52/55/413525255.db2.gz WIAOMNLRAFVKQF-STQMWFEESA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)C[C@H](C)CC)nn1 ZINC000657378434 413525976 /nfs/dbraw/zinc/52/59/76/413525976.db2.gz WIAOMNLRAFVKQF-OLZOCXBDSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651469800 413489036 /nfs/dbraw/zinc/48/90/36/413489036.db2.gz ZZQDPJTWNPFSSE-PWSUYJOCSA-N 0 3 276.336 2.511 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2cccnc2OCCOC)C1 ZINC000651678527 413565137 /nfs/dbraw/zinc/56/51/37/413565137.db2.gz SXZCASPKCULGJS-GOEBONIOSA-N 0 3 290.407 2.941 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000660868845 413625014 /nfs/dbraw/zinc/62/50/14/413625014.db2.gz KFSALUAMRHFHGA-LQKXBSAESA-N 0 3 289.423 2.504 20 30 CFEDHN C=CCCn1cc(CNCCc2cccc3[nH]ccc32)nn1 ZINC000657459004 413632105 /nfs/dbraw/zinc/63/21/05/413632105.db2.gz MOURJDXEABSZNA-UHFFFAOYSA-N 0 3 295.390 2.668 20 30 CFEDHN C=CCCNc1ccnc2cc(OC)c(OC)cc21 ZINC000664226428 413642650 /nfs/dbraw/zinc/64/26/50/413642650.db2.gz IPBTUTUAEOKBQB-UHFFFAOYSA-N 0 3 258.321 2.662 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@H](c2nncn2C)C(C)C)C1 ZINC000651804832 413650595 /nfs/dbraw/zinc/65/05/95/413650595.db2.gz VYBIZHPUKBYVCF-RDBSUJKOSA-N 0 3 262.401 2.847 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928310 413665812 /nfs/dbraw/zinc/66/58/12/413665812.db2.gz MLXAUNNVACIEEG-ILXRZTDVSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccc(C)cc2[nH]1 ZINC000657482164 413669319 /nfs/dbraw/zinc/66/93/19/413669319.db2.gz RSZMWRSCPMAVKS-ZBFHGGJFSA-N 0 3 256.349 2.909 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cn(-c2cccc(C)c2)nc1C ZINC000651824042 413669646 /nfs/dbraw/zinc/66/96/46/413669646.db2.gz DUOOWUXNEUDYHM-KRWDZBQOSA-N 0 3 299.418 2.906 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000660844620 413613417 /nfs/dbraw/zinc/61/34/17/413613417.db2.gz RCXGJFHXSMOIAF-IIAWOOMASA-N 0 3 291.439 2.657 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000660841612 413616083 /nfs/dbraw/zinc/61/60/83/413616083.db2.gz QLQNRJWCMAKFIW-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000660868846 413622429 /nfs/dbraw/zinc/62/24/29/413622429.db2.gz KFSALUAMRHFHGA-XOUADPBQSA-N 0 3 289.423 2.504 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](CC)CC2)nn1 ZINC000657496399 413684428 /nfs/dbraw/zinc/68/44/28/413684428.db2.gz SHBYWMLOYOXMAT-ZIAGYGMSSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(CCC)C1 ZINC000660990249 413699427 /nfs/dbraw/zinc/69/94/27/413699427.db2.gz FOPOWTDXVWWABK-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000661048648 413721551 /nfs/dbraw/zinc/72/15/51/413721551.db2.gz NWRATRFFSDAGPV-LSDHHAIUSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCOCCCNc1ccnc2ccc(C)cc21 ZINC000664388161 413729645 /nfs/dbraw/zinc/72/96/45/413729645.db2.gz LJGPHIVRIXAPLR-UHFFFAOYSA-N 0 3 256.349 2.970 20 30 CFEDHN C=C(C)COc1cc(CN(C)[C@@H](C)CCO)ccc1OC ZINC000652047356 413793048 /nfs/dbraw/zinc/79/30/48/413793048.db2.gz MUOHDPVARTXTMN-AWEZNQCLSA-N 0 3 293.407 2.853 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000664410180 413749352 /nfs/dbraw/zinc/74/93/52/413749352.db2.gz SZYZRYICELPTHU-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661121360 413768081 /nfs/dbraw/zinc/76/80/81/413768081.db2.gz CQVMYROMARAYFM-QWHCGFSZSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000657702365 413870134 /nfs/dbraw/zinc/87/01/34/413870134.db2.gz FIQAMBNBDOVENQ-HOTGVXAUSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCN(C[C@@H](OC)c1ccccc1)[C@H](C)COC ZINC000661239079 413841406 /nfs/dbraw/zinc/84/14/06/413841406.db2.gz CFDALLUONUSMJB-GDBMZVCRSA-N 0 3 263.381 2.897 20 30 CFEDHN C=CCN(C[C@H](O)[C@H](C)c1ccccc1)[C@H](C)COC ZINC000661240082 413843126 /nfs/dbraw/zinc/84/31/26/413843126.db2.gz LGCLDAPFDXIIEJ-INMHGKMJSA-N 0 3 277.408 2.674 20 30 CFEDHN C=CCN(CCC(=O)NCC1CCCCC1)[C@H](C)COC ZINC000661242731 413845134 /nfs/dbraw/zinc/84/51/34/413845134.db2.gz FFOXPVQQUMPMIV-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000661376274 413933050 /nfs/dbraw/zinc/93/30/50/413933050.db2.gz ADCYMUCDVDAPPC-HUUCEWRRSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CC[C@@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000661378237 413936120 /nfs/dbraw/zinc/93/61/20/413936120.db2.gz AYGRHICODSKLCE-CQSZACIVSA-N 0 3 298.386 2.571 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000661377221 413938525 /nfs/dbraw/zinc/93/85/25/413938525.db2.gz LDPZNMDFOQEMPM-INIZCTEOSA-N 0 3 298.430 2.859 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000661378343 413939422 /nfs/dbraw/zinc/93/94/22/413939422.db2.gz CYXSNZLZQKNVII-AWEZNQCLSA-N 0 3 290.382 2.730 20 30 CFEDHN C=CC[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000661386359 413941721 /nfs/dbraw/zinc/94/17/21/413941721.db2.gz SAMIXQYWPVIIIP-GFCCVEGCSA-N 0 3 253.777 2.825 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654554466 413905856 /nfs/dbraw/zinc/90/58/56/413905856.db2.gz DZDYXCNNASJXMT-SOUVJXGZSA-N 0 3 279.428 2.657 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000661514597 414027601 /nfs/dbraw/zinc/02/76/01/414027601.db2.gz NGJBLDFWTKVYTO-SOUVJXGZSA-N 0 3 291.439 2.752 20 30 CFEDHN C[C@H](NC[C@@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000037257512 173068282 /nfs/dbraw/zinc/06/82/82/173068282.db2.gz JDYBPJMZOCACTN-SUMWQHHRSA-N 0 3 266.344 2.942 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc2cnccc2o1 ZINC000657935945 414063740 /nfs/dbraw/zinc/06/37/40/414063740.db2.gz CCKWDNRILQVODR-RYUDHWBXSA-N 0 3 260.337 2.663 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657939655 414066333 /nfs/dbraw/zinc/06/63/33/414066333.db2.gz ZGBZEXQZAAYTEX-WDEREUQCSA-N 0 3 270.323 2.854 20 30 CFEDHN C[C@]12COC[C@H]1CN(CC#Cc1ccc(Cl)cc1)C2 ZINC000661700403 414152788 /nfs/dbraw/zinc/15/27/88/414152788.db2.gz CPAQHNRCKOLNGF-ZBFHGGJFSA-N 0 3 275.779 2.660 20 30 CFEDHN C=CCN(CC(=O)N[C@@H]1CCCC[C@H]1C)C(C)(C)C ZINC000661754934 414193024 /nfs/dbraw/zinc/19/30/24/414193024.db2.gz HPKKJQRSUIAEGQ-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCN(CCn1c(C)csc1=O)C(C)(C)C ZINC000661754854 414193337 /nfs/dbraw/zinc/19/33/37/414193337.db2.gz DJYZTHKBLMNQTN-UHFFFAOYSA-N 0 3 254.399 2.505 20 30 CFEDHN C=CCN(CC(=O)N1CCC(C)CC1)C(C)(C)C ZINC000661754880 414194769 /nfs/dbraw/zinc/19/47/69/414194769.db2.gz FGLWAISCQGIAFB-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN(Cc1cc(=O)n2c(C)csc2n1)C(C)(C)C ZINC000661756664 414195333 /nfs/dbraw/zinc/19/53/33/414195333.db2.gz VOBPHABSVUDJQJ-UHFFFAOYSA-N 0 3 291.420 2.851 20 30 CFEDHN C=CCC[C@@H](C)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000658105290 414202432 /nfs/dbraw/zinc/20/24/32/414202432.db2.gz GJPGNEYCHFMFFM-OCCSQVGLSA-N 0 3 258.365 2.518 20 30 CFEDHN C=CCOCCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000658207507 414280724 /nfs/dbraw/zinc/28/07/24/414280724.db2.gz UZSCEUQEDLFORP-KRWDZBQOSA-N 0 3 283.375 2.748 20 30 CFEDHN C=CCOCCCN[C@H](c1ccccc1)c1cncnc1 ZINC000658207509 414280776 /nfs/dbraw/zinc/28/07/76/414280776.db2.gz UZSCEUQEDLFORP-QGZVFWFLSA-N 0 3 283.375 2.748 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2ccc(SC)cc21 ZINC000658334480 414384533 /nfs/dbraw/zinc/38/45/33/414384533.db2.gz KGRFQFGUDLXHDN-IUODEOHRSA-N 0 3 263.406 2.922 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCCN(CC)CC1 ZINC000665390630 414320068 /nfs/dbraw/zinc/32/00/68/414320068.db2.gz LIUBDZSXZJXCHL-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C[C@H](CO)NCCCOc1cccc2ccccc21 ZINC000662165328 414439982 /nfs/dbraw/zinc/43/99/82/414439982.db2.gz BWYXRGDXCNBKNL-OAHLLOKOSA-N 0 3 271.360 2.745 20 30 CFEDHN C=C[C@H](CO)NCCOc1cc(Cl)cc(Cl)c1 ZINC000662165554 414440198 /nfs/dbraw/zinc/44/01/98/414440198.db2.gz IXWBPAJACVJPMU-LLVKDONJSA-N 0 3 276.163 2.509 20 30 CFEDHN C=C[C@H](CO)NCCc1cc(Cl)cc(Cl)c1 ZINC000662168601 414441356 /nfs/dbraw/zinc/44/13/56/414441356.db2.gz MKQNNMPMHZNWNU-GFCCVEGCSA-N 0 3 260.164 2.672 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662878714 414626520 /nfs/dbraw/zinc/62/65/20/414626520.db2.gz ZNFAIEONLZUSOH-BBRMVZONSA-N 0 3 288.391 2.888 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3O2)c(F)c1 ZINC000038009945 173976020 /nfs/dbraw/zinc/97/60/20/173976020.db2.gz CVDXSUDBAIYCTM-HNNXBMFYSA-N 0 3 282.318 2.791 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000662631492 414581398 /nfs/dbraw/zinc/58/13/98/414581398.db2.gz UUWAGJULFJLUAF-GDBMZVCRSA-N 0 3 272.392 2.891 20 30 CFEDHN C=CCC[C@@H](NC[C@](C)(O)CCOC)c1ccco1 ZINC000286215223 196529672 /nfs/dbraw/zinc/52/96/72/196529672.db2.gz SFBOTTJCRUIUSC-UKRRQHHQSA-N 0 3 267.369 2.664 20 30 CFEDHN N#Cc1cnc2ccccc2c1N[C@H]1CCN(C2CC2)C1 ZINC000044679009 175228299 /nfs/dbraw/zinc/22/82/99/175228299.db2.gz BTQJENKHXGDVGC-ZDUSSCGKSA-N 0 3 278.359 2.755 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000044825670 175259363 /nfs/dbraw/zinc/25/93/63/175259363.db2.gz IMWSFZXQCKZZHS-BDAKNGLRSA-N 0 3 281.153 2.786 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COc1c(C)cccc1C ZINC000046345415 175395531 /nfs/dbraw/zinc/39/55/31/175395531.db2.gz BNYQDOUZSKIJAB-MRXNPFEDSA-N 0 3 275.392 2.717 20 30 CFEDHN C=CCCCN(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000076947059 177134817 /nfs/dbraw/zinc/13/48/17/177134817.db2.gz LQFZMAZJEVRXMY-UHFFFAOYSA-N 0 3 289.423 2.856 20 30 CFEDHN N#CCC1(CN[C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000366878400 225156834 /nfs/dbraw/zinc/15/68/34/225156834.db2.gz JMEQPFZINUMEER-ZDUSSCGKSA-N 0 3 287.338 2.883 20 30 CFEDHN CC(C#N)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000334643655 225235260 /nfs/dbraw/zinc/23/52/60/225235260.db2.gz DSVAKPBZBLNFAE-VIFPVBQESA-N 0 3 282.265 2.791 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000334734244 225293741 /nfs/dbraw/zinc/29/37/41/225293741.db2.gz BRAHWAFFGDNLHM-NSHDSACASA-N 0 3 292.329 2.906 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000334806450 225304153 /nfs/dbraw/zinc/30/41/53/225304153.db2.gz LBIVUJXSRCLDJJ-UKRRQHHQSA-N 0 3 268.360 2.942 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000347099550 226048742 /nfs/dbraw/zinc/04/87/42/226048742.db2.gz DUYHJMRMMRGOFO-NXEZZACHSA-N 0 3 284.281 2.912 20 30 CFEDHN CC(C#N)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000347110255 226053978 /nfs/dbraw/zinc/05/39/78/226053978.db2.gz QTEMVESVUHWFNT-GRTSSRMGSA-N 0 3 297.358 2.524 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000347034424 226023163 /nfs/dbraw/zinc/02/31/63/226023163.db2.gz JFXBTCFTLJUTQG-NXEZZACHSA-N 0 3 295.180 2.656 20 30 CFEDHN COc1ccccc1SC[C@@H](C)CNCCC#N ZINC000575174712 335075441 /nfs/dbraw/zinc/07/54/41/335075441.db2.gz PMQNVHIKQNTNRE-LBPRGKRZSA-N 0 3 264.394 2.927 20 30 CFEDHN Cn1nccc1C1=CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000352551371 227053488 /nfs/dbraw/zinc/05/34/88/227053488.db2.gz XDPUHCUJMISNHU-UHFFFAOYSA-N 0 3 292.386 2.775 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000334140667 227332257 /nfs/dbraw/zinc/33/22/57/227332257.db2.gz HRHRAPIDIFKRIL-LBPRGKRZSA-N 0 3 274.339 2.766 20 30 CFEDHN Cc1nc(CC2CC2)oc1C(=O)NCC1=CCN(C)CC1 ZINC000330016939 228017024 /nfs/dbraw/zinc/01/70/24/228017024.db2.gz QHSSUYCYTGUPFJ-UHFFFAOYSA-N 0 3 289.379 2.502 20 30 CFEDHN CO[C@@H](CNCc1cc(C#N)cs1)CC(C)C ZINC000418089562 228025466 /nfs/dbraw/zinc/02/54/66/228025466.db2.gz BLGDRZOPOMPHKA-GFCCVEGCSA-N 0 3 252.383 2.770 20 30 CFEDHN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCCN1C1CCCC1 ZINC000330296201 228105274 /nfs/dbraw/zinc/10/52/74/228105274.db2.gz JYJJARJWSLOODZ-SQWLQELKSA-N 0 3 292.423 2.677 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@H]2CCO[C@H]2C2CC2)cc1F ZINC000330227255 228072518 /nfs/dbraw/zinc/07/25/18/228072518.db2.gz PDDBCEWADZYWDZ-HOCLYGCPSA-N 0 3 292.354 2.879 20 30 CFEDHN CCc1noc(C2CCC(N[C@@H]3CCC[C@H]3C#N)CC2)n1 ZINC000331918870 228138878 /nfs/dbraw/zinc/13/88/78/228138878.db2.gz LTTYQLJIIQEONF-GNRIBBGQSA-N 0 3 288.395 2.940 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000336058706 228183096 /nfs/dbraw/zinc/18/30/96/228183096.db2.gz UVCVGNCSEVINRQ-LLVKDONJSA-N 0 3 292.329 2.906 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCSc2ccc(F)cc21 ZINC000186715566 260008278 /nfs/dbraw/zinc/00/82/78/260008278.db2.gz LCWDLQCCBUMKSK-AAEUAGOBSA-N 0 3 267.369 2.889 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C(C)(C)C#N)C1 ZINC000323776898 260017130 /nfs/dbraw/zinc/01/71/30/260017130.db2.gz BUVNHSIIZQREOG-OAHLLOKOSA-N 0 3 299.418 2.517 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(C)cc1)C1CCC1 ZINC000187488364 260039019 /nfs/dbraw/zinc/03/90/19/260039019.db2.gz DYQPQQOSOMBUCN-KRWDZBQOSA-N 0 3 272.392 2.728 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1cccc(Br)c1)C(C)C ZINC000305900728 260104764 /nfs/dbraw/zinc/10/47/64/260104764.db2.gz BFHMKYIQIHMNKQ-KBPBESRZSA-N 0 3 296.208 2.730 20 30 CFEDHN C#CCOc1ccccc1CNCCN1CCCC[C@@H]1C ZINC000067672179 260144239 /nfs/dbraw/zinc/14/42/39/260144239.db2.gz SURQGKMRSWWDRQ-INIZCTEOSA-N 0 3 286.419 2.663 20 30 CFEDHN C#Cc1cccc(NC(=O)NCCN2CCCCCC2)c1 ZINC000298457145 260154792 /nfs/dbraw/zinc/15/47/92/260154792.db2.gz KTUHXRIOUHDFIX-UHFFFAOYSA-N 0 3 285.391 2.665 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000497138792 260179894 /nfs/dbraw/zinc/17/98/94/260179894.db2.gz VSPBALFXSZGIKE-OLZOCXBDSA-N 0 3 293.411 2.716 20 30 CFEDHN CC(C)C[C@H](CO)NC1CC(C#N)(c2ccccc2)C1 ZINC000086037446 260206702 /nfs/dbraw/zinc/20/67/02/260206702.db2.gz NIEFVLTVLGRYCM-KLAILNCOSA-N 0 3 272.392 2.607 20 30 CFEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000086036537 260206815 /nfs/dbraw/zinc/20/68/15/260206815.db2.gz BHYPTIOTDKWSEG-AKBUMOGYSA-N 0 3 270.376 2.767 20 30 CFEDHN C[C@H]1C[C@@H](NCC2(C#N)CC2)CN(Cc2ccccc2)C1 ZINC000518053154 260339476 /nfs/dbraw/zinc/33/94/76/260339476.db2.gz SFJJYYVBOOSLQD-DOTOQJQBSA-N 0 3 283.419 2.790 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cc(OC)ccc1OC ZINC000090451214 260359728 /nfs/dbraw/zinc/35/97/28/260359728.db2.gz YWBLPXUOFQTCTK-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1 ZINC000128243509 260373498 /nfs/dbraw/zinc/37/34/98/260373498.db2.gz DWJWVKLHGYRIFL-LSDHHAIUSA-N 0 3 261.365 2.500 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C(C)C)C2)CC1 ZINC000445510653 260464629 /nfs/dbraw/zinc/46/46/29/260464629.db2.gz ABXKUSXFWLIYSJ-HNNXBMFYSA-N 0 3 293.455 2.714 20 30 CFEDHN CN(CCCSCC#N)Cc1cc(Cl)cn1C ZINC000120201786 260701116 /nfs/dbraw/zinc/70/11/16/260701116.db2.gz WXNDVAHQGARWBX-UHFFFAOYSA-N 0 3 271.817 2.757 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000520955949 260701980 /nfs/dbraw/zinc/70/19/80/260701980.db2.gz ZDOBZQRMGUHZOK-JHJVBQTASA-N 0 3 290.798 2.596 20 30 CFEDHN CC(C)[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247201594 260867561 /nfs/dbraw/zinc/86/75/61/260867561.db2.gz TXQZDNNGQDKFMM-GOEBONIOSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccn2)n1 ZINC000155769603 261107536 /nfs/dbraw/zinc/10/75/36/261107536.db2.gz PENXORWCGRQLGE-JTQLQIEISA-N 0 3 286.360 2.907 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444771821 261171765 /nfs/dbraw/zinc/17/17/65/261171765.db2.gz KTUXTEPAWOHSJI-HNNXBMFYSA-N 0 3 266.429 2.779 20 30 CFEDHN C#CCN(CCC1OCCCO1)[C@@H]1CCc2ccccc21 ZINC000490800533 261210657 /nfs/dbraw/zinc/21/06/57/261210657.db2.gz TWXJCCPZRDIUJM-QGZVFWFLSA-N 0 3 285.387 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000176507797 261292959 /nfs/dbraw/zinc/29/29/59/261292959.db2.gz IDJSGZNLLXRBQG-CQSZACIVSA-N 0 3 279.428 2.515 20 30 CFEDHN CC(C)(C#N)CCCN[C@H](CCO)c1ccco1 ZINC000185082881 262040197 /nfs/dbraw/zinc/04/01/97/262040197.db2.gz LUEVZWFMEGYSDQ-GFCCVEGCSA-N 0 3 250.342 2.623 20 30 CFEDHN CC(=O)Nc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185778431 262069923 /nfs/dbraw/zinc/06/99/23/262069923.db2.gz XZYFVNVLENDLET-HIFRSBDPSA-N 0 3 271.364 2.817 20 30 CFEDHN COc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1OC ZINC000185787441 262070496 /nfs/dbraw/zinc/07/04/96/262070496.db2.gz WRXWSHHSBKVUBJ-OCCSQVGLSA-N 0 3 274.364 2.876 20 30 CFEDHN CCCNC(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185782971 262070745 /nfs/dbraw/zinc/07/07/45/262070745.db2.gz JRDLXRYLVFSWND-WMLDXEAASA-N 0 3 299.418 2.998 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000186711891 262106409 /nfs/dbraw/zinc/10/64/09/262106409.db2.gz NWGYFHNSIZQLSY-FZMZJTMJSA-N 0 3 255.308 2.943 20 30 CFEDHN CCN(CCN[C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000497284922 262133623 /nfs/dbraw/zinc/13/36/23/262133623.db2.gz JIKVKOUDGPPARC-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000364163883 262159717 /nfs/dbraw/zinc/15/97/17/262159717.db2.gz ACYKWVJGUPPCTL-BHYGNILZSA-N 0 3 286.419 2.803 20 30 CFEDHN N#CCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000192981994 262213583 /nfs/dbraw/zinc/21/35/83/262213583.db2.gz QFYRNAYDABIMGH-GJZGRUSLSA-N 0 3 269.348 2.761 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CC[C@@H](n2cncn2)C1 ZINC000364496094 262252700 /nfs/dbraw/zinc/25/27/00/262252700.db2.gz QLXLEHCNGGUBNB-OAHLLOKOSA-N 0 3 295.390 2.526 20 30 CFEDHN C=CC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000111258969 262258983 /nfs/dbraw/zinc/25/89/83/262258983.db2.gz GQTUNSIEQSJBPT-UHFFFAOYSA-N 0 3 272.392 2.786 20 30 CFEDHN C=CCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354475120 262263864 /nfs/dbraw/zinc/26/38/64/262263864.db2.gz XZNJYVVFIAXRAS-AWEZNQCLSA-N 0 3 279.299 2.531 20 30 CFEDHN C=CCOc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354475129 262263926 /nfs/dbraw/zinc/26/39/26/262263926.db2.gz XZNJYVVFIAXRAS-CQSZACIVSA-N 0 3 279.299 2.531 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)s1 ZINC000334369887 262264796 /nfs/dbraw/zinc/26/47/96/262264796.db2.gz VDMPHVRBPQSCGP-SSDOTTSWSA-N 0 3 287.182 2.629 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000364945608 262265337 /nfs/dbraw/zinc/26/53/37/262265337.db2.gz PBDZKBZSSVRCNG-AWEZNQCLSA-N 0 3 287.407 2.946 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000184262560 262274835 /nfs/dbraw/zinc/27/48/35/262274835.db2.gz XCJNMUDOFQZLKI-GFCCVEGCSA-N 0 3 277.261 2.871 20 30 CFEDHN C#CCN1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000365176903 262282673 /nfs/dbraw/zinc/28/26/73/262282673.db2.gz IZACDLKDODDRTI-CRAIPNDOSA-N 0 3 293.370 2.723 20 30 CFEDHN C=CC[C@@H](C(=O)NCCN1CCCCC1)c1ccccc1 ZINC000188261190 262287543 /nfs/dbraw/zinc/28/75/43/262287543.db2.gz JCTOAACYRAABGF-QGZVFWFLSA-N 0 3 286.419 2.948 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186719338 262320636 /nfs/dbraw/zinc/32/06/36/262320636.db2.gz OJUGMJDCKKPKKA-GXTWGEPZSA-N 0 3 264.325 2.573 20 30 CFEDHN CC#CCN1CCC2(C[C@H]2c2nnc(C(C)C)o2)CC1 ZINC000365566114 262370723 /nfs/dbraw/zinc/37/07/23/262370723.db2.gz LCDUULWFIVNTTF-ZDUSSCGKSA-N 0 3 273.380 2.786 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@H](Oc2ccncc2)C1 ZINC000336821466 262397656 /nfs/dbraw/zinc/39/76/56/262397656.db2.gz HXTXBOJWOGHRKO-HNNXBMFYSA-N 0 3 273.380 2.865 20 30 CFEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H]1CCOC1 ZINC000336822978 262397784 /nfs/dbraw/zinc/39/77/84/262397784.db2.gz NSAHLISOSGOMAB-DJIMGWMZSA-N 0 3 270.376 2.795 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246726386 262676869 /nfs/dbraw/zinc/67/68/69/262676869.db2.gz HBTLQVBYPJMBDN-WBVHZDCISA-N 0 3 299.418 2.627 20 30 CFEDHN N#CCCCN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000270442228 262988065 /nfs/dbraw/zinc/98/80/65/262988065.db2.gz JTERIUOYJRHQLB-AWEZNQCLSA-N 0 3 268.364 2.804 20 30 CFEDHN CC(C)(C#N)CCN1CCN(CCc2cccs2)CC1 ZINC000272042709 263001736 /nfs/dbraw/zinc/00/17/36/263001736.db2.gz RJPCSNXVHVBDBZ-UHFFFAOYSA-N 0 3 291.464 2.848 20 30 CFEDHN Cc1ccccc1NC(=O)CCN1CCC(C)(C#N)CC1 ZINC000272499311 263005422 /nfs/dbraw/zinc/00/54/22/263005422.db2.gz DIUIGPUJUKUZGP-UHFFFAOYSA-N 0 3 285.391 2.949 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430268227 263017861 /nfs/dbraw/zinc/01/78/61/263017861.db2.gz MGNRAXOKPGOGDR-ZFWWWQNUSA-N 0 3 264.413 2.698 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCCOc2ccccc2F)C1 ZINC000278151563 263045571 /nfs/dbraw/zinc/04/55/71/263045571.db2.gz ACWHRZNDDPSMIR-STQMWFEESA-N 0 3 262.328 2.876 20 30 CFEDHN CCN(Cc1ccc2c(c1)OCO2)[C@H]1CC[C@@H](C#N)C1 ZINC000278521752 263048617 /nfs/dbraw/zinc/04/86/17/263048617.db2.gz CPOUYJULJULSBZ-OCCSQVGLSA-N 0 3 272.348 2.929 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000278673112 263049776 /nfs/dbraw/zinc/04/97/76/263049776.db2.gz JILUUIRMISVHFP-WCQYABFASA-N 0 3 289.335 2.775 20 30 CFEDHN CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C1CC1 ZINC000279357932 263054868 /nfs/dbraw/zinc/05/48/68/263054868.db2.gz GWXIZCJFPCYZOF-UHFFFAOYSA-N 0 3 295.390 2.843 20 30 CFEDHN C[C@H]1CCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279520228 263055871 /nfs/dbraw/zinc/05/58/71/263055871.db2.gz SNYGEWSWQDQRGR-XJKSGUPXSA-N 0 3 281.359 2.642 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CCC3)C2)cc1 ZINC000279844295 263057672 /nfs/dbraw/zinc/05/76/72/263057672.db2.gz ARXIUSITPVLFNE-INIZCTEOSA-N 0 3 293.370 2.643 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCC3(CC3)C2)cc1 ZINC000280191583 263059577 /nfs/dbraw/zinc/05/95/77/263059577.db2.gz DUQBLFRRQRBHFY-INIZCTEOSA-N 0 3 293.370 2.643 20 30 CFEDHN CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332703 263060439 /nfs/dbraw/zinc/06/04/39/263060439.db2.gz HIQALRQOJIEKCL-WMLDXEAASA-N 0 3 295.386 2.889 20 30 CFEDHN CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332699 263060446 /nfs/dbraw/zinc/06/04/46/263060446.db2.gz HIQALRQOJIEKCL-PBHICJAKSA-N 0 3 295.386 2.889 20 30 CFEDHN CCN1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000280522986 263062559 /nfs/dbraw/zinc/06/25/59/263062559.db2.gz MWCZEIHGZHTHPX-UHFFFAOYSA-N 0 3 299.418 2.656 20 30 CFEDHN CC[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCCO1 ZINC000281540391 263070058 /nfs/dbraw/zinc/07/00/58/263070058.db2.gz WUWYUDMMALNNEM-OAHLLOKOSA-N 0 3 274.364 2.590 20 30 CFEDHN N#CC1CCC(CNCc2cnn(-c3ccccc3)n2)CC1 ZINC000282188415 263074863 /nfs/dbraw/zinc/07/48/63/263074863.db2.gz BUVJNDHBKVBZPQ-UHFFFAOYSA-N 0 3 295.390 2.687 20 30 CFEDHN Cc1cc([C@@H](C)NCC2CCC(C#N)CC2)nn1C ZINC000282932606 263079862 /nfs/dbraw/zinc/07/98/62/263079862.db2.gz YLHGBKZQPXNIRB-IYXRBSQSSA-N 0 3 260.385 2.709 20 30 CFEDHN COc1ncc([C@H](C)NCCCC#N)cc1Cl ZINC000284274523 263086252 /nfs/dbraw/zinc/08/62/52/263086252.db2.gz JNMBOFKIOSQUTB-VIFPVBQESA-N 0 3 253.733 2.698 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000340224053 263097830 /nfs/dbraw/zinc/09/78/30/263097830.db2.gz UMUKAWLWKRHXHZ-INMHGKMJSA-N 0 3 286.419 2.945 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000340224051 263097915 /nfs/dbraw/zinc/09/79/15/263097915.db2.gz UMUKAWLWKRHXHZ-BFYDXBDKSA-N 0 3 286.419 2.945 20 30 CFEDHN N#CCCCN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290131145 263114767 /nfs/dbraw/zinc/11/47/67/263114767.db2.gz LWDCVVSYJPXONR-INIZCTEOSA-N 0 3 270.376 2.974 20 30 CFEDHN CC1(C#N)CCN(CC[C@H](O)c2ccccc2)CC1 ZINC000290119343 263114845 /nfs/dbraw/zinc/11/48/45/263114845.db2.gz YVZUPDNJBLXNHY-HNNXBMFYSA-N 0 3 258.365 2.736 20 30 CFEDHN CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000291798931 263125533 /nfs/dbraw/zinc/12/55/33/263125533.db2.gz WYGPPGYGTVLHOX-SFHVURJKSA-N 0 3 297.402 2.704 20 30 CFEDHN N#CCCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000292542719 263132980 /nfs/dbraw/zinc/13/29/80/263132980.db2.gz IKCJCCYESWBPMU-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292778289 263135154 /nfs/dbraw/zinc/13/51/54/263135154.db2.gz LCBZKMIFIQJGKT-OAHLLOKOSA-N 0 3 298.390 2.736 20 30 CFEDHN C[C@@H]1CCN(CCOCCC#N)[C@@H](c2ccco2)C1 ZINC000292841273 263135518 /nfs/dbraw/zinc/13/55/18/263135518.db2.gz PQVDJVHDZJDXBY-ZIAGYGMSSA-N 0 3 262.353 2.983 20 30 CFEDHN CC[C@@H]1CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000292879025 263135906 /nfs/dbraw/zinc/13/59/06/263135906.db2.gz XIXORSICWKCHBO-MRXNPFEDSA-N 0 3 295.390 2.843 20 30 CFEDHN CCc1ccc([C@@H](C#N)NC(=O)CC2CCN(C)CC2)cc1 ZINC000293219057 263138705 /nfs/dbraw/zinc/13/87/05/263138705.db2.gz FLHSPHPIXRJTLJ-QGZVFWFLSA-N 0 3 299.418 2.662 20 30 CFEDHN COc1ccc([C@@H]2CCCN2CCOCCC#N)cc1 ZINC000293408634 263139900 /nfs/dbraw/zinc/13/99/00/263139900.db2.gz HZIWXVQFTJXQKE-INIZCTEOSA-N 0 3 274.364 2.762 20 30 CFEDHN C=CCN(CCOCCC#N)Cc1ccc(OC)cc1 ZINC000293477813 263141657 /nfs/dbraw/zinc/14/16/57/263141657.db2.gz MEXRNCBRADRUFV-UHFFFAOYSA-N 0 3 274.364 2.613 20 30 CFEDHN CC[C@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000293696415 263147407 /nfs/dbraw/zinc/14/74/07/263147407.db2.gz CIOGVEWQAZQMGC-AWEZNQCLSA-N 0 3 268.307 2.936 20 30 CFEDHN N#CCCOCCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000293956861 263153116 /nfs/dbraw/zinc/15/31/16/263153116.db2.gz CEVRVQQXTPYKHV-CABCVRRESA-N 0 3 294.782 2.690 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CCC[C@@H]2CF)cc1 ZINC000294120419 263156293 /nfs/dbraw/zinc/15/62/93/263156293.db2.gz TXGYAKMNVDMGOW-MRXNPFEDSA-N 0 3 275.371 2.970 20 30 CFEDHN N#CCCCNCc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000294669432 263165920 /nfs/dbraw/zinc/16/59/20/263165920.db2.gz AJEXQDOMHLGUPH-UHFFFAOYSA-N 0 3 297.358 2.765 20 30 CFEDHN COc1ncc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000294700127 263166243 /nfs/dbraw/zinc/16/62/43/263166243.db2.gz BFHSFDAPFZJTEZ-ZYHUDNBSSA-N 0 3 279.771 2.916 20 30 CFEDHN Cc1nn(C)c(Cl)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000295059356 263171432 /nfs/dbraw/zinc/17/14/32/263171432.db2.gz OCSQYYBWKJZYJD-QWRGUYRKSA-N 0 3 266.776 2.554 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)[C@@H](O)C(F)F ZINC000296576461 263192827 /nfs/dbraw/zinc/19/28/27/263192827.db2.gz TZKOGIANQBTCAQ-DDTOSNHZSA-N 0 3 298.333 2.644 20 30 CFEDHN COc1cc2nccc(N3CCC(C#N)CC3)c2cc1OC ZINC000298262805 263216927 /nfs/dbraw/zinc/21/69/27/263216927.db2.gz OOFKWDVXFAYDNM-UHFFFAOYSA-N 0 3 297.358 2.992 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(CC#N)c1 ZINC000299089210 263230398 /nfs/dbraw/zinc/23/03/98/263230398.db2.gz MQLYQSUWVVMHDO-GJZGRUSLSA-N 0 3 299.418 2.603 20 30 CFEDHN Cc1ccnc(OC2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000299176492 263233364 /nfs/dbraw/zinc/23/33/64/263233364.db2.gz YPOFTQDFZGNCQV-AWEZNQCLSA-N 0 3 273.380 2.926 20 30 CFEDHN CCCCOCCNCc1ccc(N(C)CCC#N)cc1 ZINC000299330337 263239460 /nfs/dbraw/zinc/23/94/60/263239460.db2.gz KXONLHGZQPWSAZ-UHFFFAOYSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCN(CC[C@@H]1CCOC1=O)Cc1ccc(OC)cc1 ZINC000120214359 263284331 /nfs/dbraw/zinc/28/43/31/263284331.db2.gz GTJMZAKMYZLICA-OAHLLOKOSA-N 0 3 289.375 2.636 20 30 CFEDHN C=CCN(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000121258057 263292967 /nfs/dbraw/zinc/29/29/67/263292967.db2.gz OGCNAJAECVCIRH-UHFFFAOYSA-N 0 3 271.364 2.617 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1cccc2ccccc21 ZINC000121546236 263295048 /nfs/dbraw/zinc/29/50/48/263295048.db2.gz XQZKBULBUYFXQE-OAHLLOKOSA-N 0 3 271.360 2.697 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCCN(C)Cc1ccccc1 ZINC000454387095 263306393 /nfs/dbraw/zinc/30/63/93/263306393.db2.gz QOUUZIRMDOVRKS-UHFFFAOYSA-N 0 3 289.423 2.630 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@](C)(OC)C1(C)C ZINC000340853928 263309188 /nfs/dbraw/zinc/30/91/88/263309188.db2.gz UQSFAUCSSIDEKA-ZQIUZPCESA-N 0 3 296.455 2.593 20 30 CFEDHN C=CC[C@H](CO)CNCc1cnc(C(C)(C)C)s1 ZINC000341299235 263332414 /nfs/dbraw/zinc/33/24/14/263332414.db2.gz KSDJPPOUBSDFIM-NSHDSACASA-N 0 3 268.426 2.715 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000341796273 263349793 /nfs/dbraw/zinc/34/97/93/263349793.db2.gz MBVQRGKLICXIKL-XUJVJEKNSA-N 0 3 293.436 2.842 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(F)ccc1F ZINC000341886637 263362868 /nfs/dbraw/zinc/36/28/68/263362868.db2.gz OAEGVOJYSJYAGV-QWRGUYRKSA-N 0 3 255.308 2.800 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(F)ccc1F ZINC000341886639 263362960 /nfs/dbraw/zinc/36/29/60/263362960.db2.gz OAEGVOJYSJYAGV-WDEREUQCSA-N 0 3 255.308 2.800 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(F)cc1F ZINC000341886200 263363353 /nfs/dbraw/zinc/36/33/53/263363353.db2.gz XHAQKLNHAYKLPS-GHMZBOCLSA-N 0 3 255.308 2.800 20 30 CFEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCC(C)CC1 ZINC000341921722 263366065 /nfs/dbraw/zinc/36/60/65/263366065.db2.gz MTPZGMMQSDYTMB-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCCC[C@@H]1C ZINC000341930630 263368682 /nfs/dbraw/zinc/36/86/82/263368682.db2.gz WLZAKBWDIUYYMU-LSDHHAIUSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000342004798 263375891 /nfs/dbraw/zinc/37/58/91/263375891.db2.gz NSFKBJJZZIYKDA-CQSZACIVSA-N 0 3 296.455 2.594 20 30 CFEDHN CNCc1cccc(NC(=O)N(CCC#N)CC2CC2)c1 ZINC000415944279 263655889 /nfs/dbraw/zinc/65/58/89/263655889.db2.gz OQLJMOQPROGIAR-UHFFFAOYSA-N 0 3 286.379 2.564 20 30 CFEDHN C=CCC[C@H](O)CN(CC=C)Cc1cccc(C#N)c1 ZINC000124465254 263867267 /nfs/dbraw/zinc/86/72/67/263867267.db2.gz LSPSEJIWOZXQSW-KRWDZBQOSA-N 0 3 270.376 2.873 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](n3ccnn3)C2)c1 ZINC000425344772 264016633 /nfs/dbraw/zinc/01/66/33/264016633.db2.gz CWWBWJDQEGRRCZ-INIZCTEOSA-N 0 3 298.390 2.680 20 30 CFEDHN CCc1noc(C)c1NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330797414 264040737 /nfs/dbraw/zinc/04/07/37/264040737.db2.gz XRKMQQGFQJHSIE-SNVBAGLBSA-N 0 3 292.383 2.522 20 30 CFEDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000330912936 264076035 /nfs/dbraw/zinc/07/60/35/264076035.db2.gz REQUCVNZVXBSCM-DGCLKSJQSA-N 0 3 291.351 2.691 20 30 CFEDHN C[C@@H](CNC(=O)Nc1cc(Cl)c(Cl)cn1)N(C)C ZINC000330995307 264104942 /nfs/dbraw/zinc/10/49/42/264104942.db2.gz WTXTZHITTNOLLT-ZETCQYMHSA-N 0 3 291.182 2.664 20 30 CFEDHN CCc1nc(C)c(NC(=O)NC2CCN(CC)CC2)s1 ZINC000331211843 264163487 /nfs/dbraw/zinc/16/34/87/264163487.db2.gz ZEAZCEQDECPKLH-UHFFFAOYSA-N 0 3 296.440 2.824 20 30 CFEDHN Cc1cc(C(=O)NCCN2CCCC(C)(C)C2)cc(=O)[nH]1 ZINC000331286554 264172860 /nfs/dbraw/zinc/17/28/60/264172860.db2.gz HHUSOVLEBGVTFS-UHFFFAOYSA-N 0 3 291.395 2.522 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1ccccc1C ZINC000076735491 264342753 /nfs/dbraw/zinc/34/27/53/264342753.db2.gz LPONVWJZSKDMAO-UHFFFAOYSA-N 0 3 260.381 2.509 20 30 CFEDHN CCN(CC)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000442792433 265007022 /nfs/dbraw/zinc/00/70/22/265007022.db2.gz MHIRYNTZVKBIFZ-RRFJBIMHSA-N 0 3 275.396 2.944 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(F)cc(Br)c1 ZINC000320744813 265025892 /nfs/dbraw/zinc/02/58/92/265025892.db2.gz MQBGEZSVQGMADU-LBPRGKRZSA-N 0 3 288.160 2.615 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000320782754 265034491 /nfs/dbraw/zinc/03/44/91/265034491.db2.gz RPEKXBOPMDDHMX-WCQYABFASA-N 0 3 264.325 2.573 20 30 CFEDHN CC[C@@H](CC#N)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000094010446 265208992 /nfs/dbraw/zinc/20/89/92/265208992.db2.gz FVVIZCGHCIBYJX-AWEZNQCLSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2CC(C)C)CC1 ZINC000519302765 265392322 /nfs/dbraw/zinc/39/23/22/265392322.db2.gz OXDQBOOPCGPHQI-INIZCTEOSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000514654653 266029021 /nfs/dbraw/zinc/02/90/21/266029021.db2.gz DUCZHROTCRTDQL-CHWSQXEVSA-N 0 3 278.352 2.881 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000346230419 266158112 /nfs/dbraw/zinc/15/81/12/266158112.db2.gz FUOIFFLNCYUCAJ-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN CC(C)c1ccc(CN2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000356850814 266190472 /nfs/dbraw/zinc/19/04/72/266190472.db2.gz PADQXKJSXAJNTM-OAHLLOKOSA-N 0 3 299.418 2.614 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357280152 266270978 /nfs/dbraw/zinc/27/09/78/266270978.db2.gz GSDBLJPSCNVNSE-SQWLQELKSA-N 0 3 289.423 2.860 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357311133 266273414 /nfs/dbraw/zinc/27/34/14/266273414.db2.gz NZPVELOTRUBNLC-HOCLYGCPSA-N 0 3 289.423 2.862 20 30 CFEDHN COc1ccccc1C[C@H](NC(=O)C(C)C#N)C(C)C ZINC000357311807 266273583 /nfs/dbraw/zinc/27/35/83/266273583.db2.gz XJHDBFIDLGBMBI-JSGCOSHPSA-N 0 3 274.364 2.538 20 30 CFEDHN C=CCN(C[C@H](O)COc1cc(C)cc(C)c1)C1CC1 ZINC000357549135 266319704 /nfs/dbraw/zinc/31/97/04/266319704.db2.gz DLWJKFRTMMUTRD-INIZCTEOSA-N 0 3 275.392 2.694 20 30 CFEDHN C=CCN(CCC(=O)Nc1cc(F)cc(F)c1)C1CC1 ZINC000357556571 266323133 /nfs/dbraw/zinc/32/31/33/266323133.db2.gz VQVZXWCYQWRHEV-UHFFFAOYSA-N 0 3 280.318 2.944 20 30 CFEDHN C=CCN(CCC(=O)NCC1CCCCC1)C1CC1 ZINC000357555601 266324091 /nfs/dbraw/zinc/32/40/91/266324091.db2.gz VJFVOIKLCCFUAF-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000357580977 266329639 /nfs/dbraw/zinc/32/96/39/266329639.db2.gz KVBSITQYJUNCGK-UHFFFAOYSA-N 0 3 284.403 2.556 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000357792903 266363263 /nfs/dbraw/zinc/36/32/63/266363263.db2.gz HSZDLWQUZMETRI-ZDUSSCGKSA-N 0 3 268.316 2.968 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000357791149 266363418 /nfs/dbraw/zinc/36/34/18/266363418.db2.gz GFMUDPBPMSMJIL-LLVKDONJSA-N 0 3 258.277 2.561 20 30 CFEDHN CC(C#N)C(=O)NCCc1cccc(Cl)c1Cl ZINC000357838058 266374293 /nfs/dbraw/zinc/37/42/93/266374293.db2.gz VPYZOHBYSDYJFV-QMMMGPOBSA-N 0 3 271.147 2.812 20 30 CFEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(C)(C)C#N)N(C)C ZINC000357869272 266379985 /nfs/dbraw/zinc/37/99/85/266379985.db2.gz MBWZWOBTKDQMCM-UKRRQHHQSA-N 0 3 287.407 2.652 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1(C#N)CCC1)N(C)C ZINC000357880205 266381878 /nfs/dbraw/zinc/38/18/78/266381878.db2.gz WERBUDUKAHJJGV-ZBFHGGJFSA-N 0 3 299.418 2.796 20 30 CFEDHN CCOC(=O)C1(N(C)CCCCC#N)CCCCC1 ZINC000357968690 266391342 /nfs/dbraw/zinc/39/13/42/266391342.db2.gz OLLLZMPABMMZRS-UHFFFAOYSA-N 0 3 266.385 2.878 20 30 CFEDHN N#CCCCN1CCCN(c2ccc(F)cc2)CC1 ZINC000363018485 267072395 /nfs/dbraw/zinc/07/23/95/267072395.db2.gz WLJNZGCJSYJPBS-UHFFFAOYSA-N 0 3 261.344 2.642 20 30 CFEDHN CC1CCC(N2CCN(C[C@H](C#N)CCC#N)CC2)CC1 ZINC000115609432 267101825 /nfs/dbraw/zinc/10/18/25/267101825.db2.gz WQDQDUOBBICUDK-CGZBRXJRSA-N 0 3 288.439 2.626 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1ccco1 ZINC000367589969 267102565 /nfs/dbraw/zinc/10/25/65/267102565.db2.gz RSWOFGOXFZURSJ-JYJNAYRXSA-N 0 3 290.407 2.740 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](c3noc(C)n3)C2)cc1 ZINC000368017540 267135144 /nfs/dbraw/zinc/13/51/44/267135144.db2.gz NBWOGYQLFKEMPV-INIZCTEOSA-N 0 3 281.359 2.739 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000399701943 267141912 /nfs/dbraw/zinc/14/19/12/267141912.db2.gz YBJIUPYDFQTFOT-AAVRWANBSA-N 0 3 285.391 2.862 20 30 CFEDHN C=CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116518165 267160155 /nfs/dbraw/zinc/16/01/55/267160155.db2.gz BPDMYPWEIXHTEV-AWEZNQCLSA-N 0 3 287.407 2.697 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC(C)(C)C#N)C1 ZINC000368475541 267176131 /nfs/dbraw/zinc/17/61/31/267176131.db2.gz UDGKOALLAHWZTL-MRXNPFEDSA-N 0 3 299.418 2.659 20 30 CFEDHN N=C(NO)[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000368524956 267181208 /nfs/dbraw/zinc/18/12/08/267181208.db2.gz NAERNGJUJDWUSC-CQSZACIVSA-N 0 3 291.782 2.502 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368590916 267188842 /nfs/dbraw/zinc/18/88/42/267188842.db2.gz LNPVYBNBWRYNMX-CABCVRRESA-N 0 3 266.429 2.900 20 30 CFEDHN N#CCCCN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000368911874 267212762 /nfs/dbraw/zinc/21/27/62/267212762.db2.gz QNHMAVGZGDCDQQ-JKSUJKDBSA-N 0 3 258.365 2.878 20 30 CFEDHN C=CCCCN1CCN(c2ccccc2OC)CC1 ZINC000117870490 267223697 /nfs/dbraw/zinc/22/36/97/267223697.db2.gz PHMBMIVAGKBQKH-UHFFFAOYSA-N 0 3 260.381 2.783 20 30 CFEDHN C=CCN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000369253814 267229421 /nfs/dbraw/zinc/22/94/21/267229421.db2.gz AEAARJOVNHBNIY-MRXNPFEDSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCCCCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369295511 267233227 /nfs/dbraw/zinc/23/32/27/267233227.db2.gz WULIHIZJYKXBGU-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN CC(=O)N1CC[C@@H](NCC2(CC#N)CC2)c2ccccc2C1 ZINC000370204157 267299010 /nfs/dbraw/zinc/29/90/10/267299010.db2.gz NJNRCGJOLDPQDT-QGZVFWFLSA-N 0 3 297.402 2.763 20 30 CFEDHN OC[C@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000370206460 267299016 /nfs/dbraw/zinc/29/90/16/267299016.db2.gz AVMPVGWPQSMYAL-HNNXBMFYSA-N 0 3 277.795 2.786 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000119280385 267314611 /nfs/dbraw/zinc/31/46/11/267314611.db2.gz VGQNNMVKEFTSCN-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN OC[C@@H]1CCc2ccccc2[C@H]1NCC#Cc1ccccc1 ZINC000370519244 267326013 /nfs/dbraw/zinc/32/60/13/267326013.db2.gz VRRVJPVZVPYUSX-ICSRJNTNSA-N 0 3 291.394 2.924 20 30 CFEDHN C=CCCCCCN1CC[C@H](NC(=O)C2CCC2)C1 ZINC000370609646 267330792 /nfs/dbraw/zinc/33/07/92/267330792.db2.gz BTAFACPINZBXMR-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCCCCN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000370609647 267331090 /nfs/dbraw/zinc/33/10/90/267331090.db2.gz BTAFACPINZBXMR-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCN(CC(F)F)C1 ZINC000418131330 267359104 /nfs/dbraw/zinc/35/91/04/267359104.db2.gz HTAFFAHXQGCLBD-CQSZACIVSA-N 0 3 296.361 2.680 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(C#N)c2C)nc(C)n1 ZINC000338627210 267361651 /nfs/dbraw/zinc/36/16/51/267361651.db2.gz QAKFCQVWMGUGDW-OAHLLOKOSA-N 0 3 290.326 2.764 20 30 CFEDHN COc1cccc2c1CC[C@@H](NCC1(C#N)CCC1)C2 ZINC000418143598 267365395 /nfs/dbraw/zinc/36/53/95/267365395.db2.gz QSGOYONEKYUWNZ-CQSZACIVSA-N 0 3 270.376 2.836 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000371209107 267372522 /nfs/dbraw/zinc/37/25/22/267372522.db2.gz SCHWYAUEULAZGJ-DLBZAZTESA-N 0 3 273.376 2.909 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)cc2)COc2ccccc2O1 ZINC000527736569 267902618 /nfs/dbraw/zinc/90/26/18/267902618.db2.gz SAULCSNJQKFERX-SFHVURJKSA-N 0 3 294.354 2.878 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](C(=O)OC)C2)cc1 ZINC000123187069 268005402 /nfs/dbraw/zinc/00/54/02/268005402.db2.gz XSUYKKMYMYNTGV-OAHLLOKOSA-N 0 3 289.375 2.636 20 30 CFEDHN CC#CCCCC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000376881758 268027664 /nfs/dbraw/zinc/02/76/64/268027664.db2.gz JDQWFCPBMLYLMK-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN C=C(C)CN1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000377182312 268053213 /nfs/dbraw/zinc/05/32/13/268053213.db2.gz JPBGHSWBSQALIL-UHFFFAOYSA-N 0 3 270.380 2.793 20 30 CFEDHN N#Cc1cnccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000521990832 268170000 /nfs/dbraw/zinc/17/00/00/268170000.db2.gz WBEGTTVHENTIOK-OAHLLOKOSA-N 0 3 298.415 2.686 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN2C2CCCC2)s1 ZINC000527805287 268233427 /nfs/dbraw/zinc/23/34/27/268233427.db2.gz GJBDPAFQTBJNSH-CYBMUJFWSA-N 0 3 275.421 2.726 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCOC1 ZINC000514793283 270353836 /nfs/dbraw/zinc/35/38/36/270353836.db2.gz VOZDNFBOXMGCCA-OAHLLOKOSA-N 0 3 289.335 2.515 20 30 CFEDHN N#Cc1cccc(C2(NC[C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000516930490 270391802 /nfs/dbraw/zinc/39/18/02/270391802.db2.gz QJRPLFQUWSPOHE-ZBFHGGJFSA-N 0 3 270.376 2.688 20 30 CFEDHN CC(C)CN1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000055080001 273513408 /nfs/dbraw/zinc/51/34/08/273513408.db2.gz MVUPDPUULSZCSA-UHFFFAOYSA-N 0 3 277.799 2.990 20 30 CFEDHN CS[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1N(C)C ZINC000340756559 274182595 /nfs/dbraw/zinc/18/25/95/274182595.db2.gz VSLAVIGVZLVWTM-ZIAGYGMSSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@@H]1CN(c2nc(Cl)c(C#N)s2)CCN(C2CC2)C1 ZINC000294965847 274367714 /nfs/dbraw/zinc/36/77/14/274367714.db2.gz NUPPSDOOXZYKBG-VIFPVBQESA-N 0 3 296.827 2.589 20 30 CFEDHN Cc1nsc(NC2CCN(C(C)(C)C)CC2)c1C#N ZINC000286427710 274876277 /nfs/dbraw/zinc/87/62/77/274876277.db2.gz PSOFPGDZUWZIDL-UHFFFAOYSA-N 0 3 278.425 2.998 20 30 CFEDHN N#Cc1sc(N2CC[C@H](N3CCCCC3)C2)nc1Cl ZINC000287387548 274931792 /nfs/dbraw/zinc/93/17/92/274931792.db2.gz OWNKEMDMAMUYGZ-JTQLQIEISA-N 0 3 296.827 2.733 20 30 CFEDHN OCC[C@@H]1CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000286022957 275047826 /nfs/dbraw/zinc/04/78/26/275047826.db2.gz HMPMTANQGOMMGI-HOCLYGCPSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CCCCc2ccccc21 ZINC000272853616 275433173 /nfs/dbraw/zinc/43/31/73/275433173.db2.gz LLZDXUCUKYHWOD-INIZCTEOSA-N 0 3 293.432 2.645 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1ncnn1C(C)(C)C ZINC000282765166 275433256 /nfs/dbraw/zinc/43/32/56/275433256.db2.gz OMCQTDHVYNZXAD-VXGBXAGGSA-N 0 3 250.390 2.723 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000289848886 275438201 /nfs/dbraw/zinc/43/82/01/275438201.db2.gz QHZXKGVGRYFYMM-WBMJQRKESA-N 0 3 270.376 2.990 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccc(F)cc2)[C@H]2CCO[C@H]21 ZINC000295828646 275889492 /nfs/dbraw/zinc/88/94/92/275889492.db2.gz CGWJRURSWQRHRP-BZUAXINKSA-N 0 3 273.351 2.580 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000078460093 276001544 /nfs/dbraw/zinc/00/15/44/276001544.db2.gz DVPJCJLPQKOKTC-INIZCTEOSA-N 0 3 258.365 2.949 20 30 CFEDHN CCC[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000459809505 276025702 /nfs/dbraw/zinc/02/57/02/276025702.db2.gz SRVOEGVDDNJDPR-HZPDHXFCSA-N 0 3 285.391 2.643 20 30 CFEDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 ZINC000371799902 276786408 /nfs/dbraw/zinc/78/64/08/276786408.db2.gz WGCIOCVSINYCQO-MSOLQXFVSA-N 0 3 295.386 2.859 20 30 CFEDHN CN(C)CCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356325165 276786999 /nfs/dbraw/zinc/78/69/99/276786999.db2.gz WDBHSKAWNQTZEX-UHFFFAOYSA-N 0 3 285.313 2.570 20 30 CFEDHN CC(C)(C#N)CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000350695014 277120566 /nfs/dbraw/zinc/12/05/66/277120566.db2.gz SHIZHUFALUHNQN-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN CN1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000270304797 277138720 /nfs/dbraw/zinc/13/87/20/277138720.db2.gz QYKLTWBRXFZHAH-NVXWUHKLSA-N 0 3 278.359 2.811 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347062306 277230784 /nfs/dbraw/zinc/23/07/84/277230784.db2.gz VJWHYFMRWHDZIN-CQSZACIVSA-N 0 3 291.439 2.697 20 30 CFEDHN COC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358575474 277249103 /nfs/dbraw/zinc/24/91/03/277249103.db2.gz SUMCMDTVYUSNIB-MEBBXXQBSA-N 0 3 262.328 2.773 20 30 CFEDHN C=C(Br)CN[C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000270450634 277762267 /nfs/dbraw/zinc/76/22/67/277762267.db2.gz MYFHTBWHODKFDZ-ZYHUDNBSSA-N 0 3 290.201 2.607 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@H](CC)N(CC)CC ZINC000343523990 277830338 /nfs/dbraw/zinc/83/03/38/277830338.db2.gz MAFPFOSKIKUHHU-KGLIPLIRSA-N 0 3 254.418 2.968 20 30 CFEDHN CC(=O)N(C)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118394605 277961122 /nfs/dbraw/zinc/96/11/22/277961122.db2.gz HFVHHSKIXJRFOT-CYBMUJFWSA-N 0 3 285.391 2.562 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000347161710 278257287 /nfs/dbraw/zinc/25/72/87/278257287.db2.gz RUVYDRVAMGUZPA-GHMZBOCLSA-N 0 3 278.318 2.561 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000300415531 278275703 /nfs/dbraw/zinc/27/57/03/278275703.db2.gz VVOUEMXZBUZXNP-XZJROXQQSA-N 0 3 256.349 2.776 20 30 CFEDHN CC[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419288159 288057071 /nfs/dbraw/zinc/05/70/71/288057071.db2.gz HHFCAXDCGNTDFH-JKSUJKDBSA-N 0 3 285.391 2.643 20 30 CFEDHN CC[C@H](N[C@@H](CCOC)COC)c1ccc(C#N)cc1 ZINC000353638601 288063229 /nfs/dbraw/zinc/06/32/29/288063229.db2.gz BCTVGZOXBDFTFI-HOTGVXAUSA-N 0 3 276.380 2.650 20 30 CFEDHN CC[C@H](c1ccccc1)N(CC(=O)NCC#N)CC(C)C ZINC000348138308 288156003 /nfs/dbraw/zinc/15/60/03/288156003.db2.gz IIPCUQOIHGKMAN-MRXNPFEDSA-N 0 3 287.407 2.735 20 30 CFEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ncc(C#N)cc1Cl ZINC000286270002 280116166 /nfs/dbraw/zinc/11/61/66/280116166.db2.gz DKHIASAPXMJWCS-SMDDNHRTSA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)cc2)CCO[C@H]1C1CC1 ZINC000273115680 280167910 /nfs/dbraw/zinc/16/79/10/280167910.db2.gz YLMYBKBPDOISTJ-HOTGVXAUSA-N 0 3 256.349 2.605 20 30 CFEDHN CC[C@@H](N[C@@H](CCO)CSC)c1ccc(C#N)cc1 ZINC000447542220 280193163 /nfs/dbraw/zinc/19/31/63/280193163.db2.gz IKFOMKAIUOKFHP-LSDHHAIUSA-N 0 3 278.421 2.713 20 30 CFEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@@H](C)S1 ZINC000070383201 280484541 /nfs/dbraw/zinc/48/45/41/280484541.db2.gz DTXZIHKQCYJWLX-CHWSQXEVSA-N 0 3 276.405 2.763 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H](Cc2ccccc2)N(C)C)n1 ZINC000127521485 280665199 /nfs/dbraw/zinc/66/51/99/280665199.db2.gz UZWBXSXPUDUAPC-QGZVFWFLSA-N 0 3 294.402 2.847 20 30 CFEDHN CN(c1snc(Cl)c1C#N)C1C[C@H]2CC[C@@H](C1)N2C ZINC000286212900 281132952 /nfs/dbraw/zinc/13/29/52/281132952.db2.gz BRGZKNHIFGAQIQ-ULKQDVFKSA-N 0 3 296.827 2.730 20 30 CFEDHN Cc1cc(C#N)cnc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000549724060 281819561 /nfs/dbraw/zinc/81/95/61/281819561.db2.gz OVRVJHQYROJFMN-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554359920 281890514 /nfs/dbraw/zinc/89/05/14/281890514.db2.gz KCQNJCUFULUBFP-HUUCEWRRSA-N 0 3 273.380 2.635 20 30 CFEDHN N#Cc1cccc(N2CCN([C@@H]3C=CCCCCC3)CC2)n1 ZINC000559156099 282002516 /nfs/dbraw/zinc/00/25/16/282002516.db2.gz ZYJJXETXNSTGFF-QGZVFWFLSA-N 0 3 296.418 2.964 20 30 CFEDHN C[C@@H]1CCC[C@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC000562362341 282077154 /nfs/dbraw/zinc/07/71/54/282077154.db2.gz OWSOILZOUPPDLH-CVEARBPZSA-N 0 3 298.434 2.902 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)o1)Cc1cccs1 ZINC000289453893 289144975 /nfs/dbraw/zinc/14/49/75/289144975.db2.gz NLRPXLWRIZVZNO-UHFFFAOYSA-N 0 3 289.404 2.777 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1c2ccccc2CCC[C@@H]1C ZINC000331410748 289236296 /nfs/dbraw/zinc/23/62/96/289236296.db2.gz JJVLIFAUSZYMEZ-YWPYICTPSA-N 0 3 256.349 2.976 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C(=O)NC2CC2)CC1 ZINC000377716005 290218018 /nfs/dbraw/zinc/21/80/18/290218018.db2.gz DSVQZPJBRCMIIL-CYBMUJFWSA-N 0 3 297.402 2.610 20 30 CFEDHN Cc1nc(CCNC(=O)CN2[C@H](C)CC[C@H]2C)c(C)o1 ZINC000329106504 293255756 /nfs/dbraw/zinc/25/57/56/293255756.db2.gz HMTHUZIDVUANMC-GHMZBOCLSA-N 0 3 279.384 2.663 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CCCC12CCN(C)CC2 ZINC000337845392 300910945 /nfs/dbraw/zinc/91/09/45/300910945.db2.gz WUTXNBQDCZMQFO-UHFFFAOYSA-N 0 3 297.402 2.567 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000333103265 303160691 /nfs/dbraw/zinc/16/06/91/303160691.db2.gz QGPCLJVZUUYSKP-SYAUCNOPSA-N 0 3 271.364 2.584 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)Nc1cccc2c1CCNC2 ZINC000570909206 327632840 /nfs/dbraw/zinc/63/28/40/327632840.db2.gz LXPOJPIJKCUPKB-AWEZNQCLSA-N 0 3 285.391 2.905 20 30 CFEDHN C=CCCCCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000580282009 327760957 /nfs/dbraw/zinc/76/09/57/327760957.db2.gz BTCIZEIEBHTOQU-UHFFFAOYSA-N 0 3 298.434 2.808 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@@H](C)N1CCC(C)CC1)OCC ZINC000339391047 328009289 /nfs/dbraw/zinc/00/92/89/328009289.db2.gz KTXOKQKQRCMMOP-CVEARBPZSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@](C)(CC)C1 ZINC000531580280 328016430 /nfs/dbraw/zinc/01/64/30/328016430.db2.gz AATDOVILEODJJW-HNNXBMFYSA-N 0 3 252.402 2.533 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)CC1(O)CCCC1 ZINC000152104517 328068715 /nfs/dbraw/zinc/06/87/15/328068715.db2.gz OYXLTNYVPWNBQQ-UHFFFAOYSA-N 0 3 277.795 2.928 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H](C)CCC#N)C[C@H]1c1ccccc1 ZINC000411667220 328098226 /nfs/dbraw/zinc/09/82/26/328098226.db2.gz HGYCQQHSEXENPV-VNQPRFMTSA-N 0 3 286.375 2.567 20 30 CFEDHN C[C@H]1CC(C)(C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000412042809 328102541 /nfs/dbraw/zinc/10/25/41/328102541.db2.gz NBZIPRYSZXYBIN-AWEZNQCLSA-N 0 3 291.439 2.792 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)CCCC#N)c(F)c1 ZINC000412591273 328112971 /nfs/dbraw/zinc/11/29/71/328112971.db2.gz YWEVMGRKYZHFCU-UHFFFAOYSA-N 0 3 263.316 2.520 20 30 CFEDHN N#CCCCNCc1c(C2CC2)nc2sccn12 ZINC000273089699 328203820 /nfs/dbraw/zinc/20/38/20/328203820.db2.gz SIHZMEZEYBBITL-UHFFFAOYSA-N 0 3 260.366 2.667 20 30 CFEDHN CCN(CCC#N)C(=O)Nc1ccccc1CCN(C)C ZINC000275601935 328215520 /nfs/dbraw/zinc/21/55/20/328215520.db2.gz GYIXHYJGZDBTND-UHFFFAOYSA-N 0 3 288.395 2.558 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000278583909 328227730 /nfs/dbraw/zinc/22/77/30/328227730.db2.gz KKUHYKOPCAPVST-WMLDXEAASA-N 0 3 297.402 2.573 20 30 CFEDHN CN(CCOc1ccc(F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278604740 328228112 /nfs/dbraw/zinc/22/81/12/328228112.db2.gz MEJHWZDEYVOZIV-JSGCOSHPSA-N 0 3 262.328 2.829 20 30 CFEDHN CN(Cc1ccccc1N1CCOCC1)[C@H]1CC[C@H](C#N)C1 ZINC000293417453 328275857 /nfs/dbraw/zinc/27/58/57/328275857.db2.gz IMSOREZPUVCBIB-RDJZCZTQSA-N 0 3 299.418 2.647 20 30 CFEDHN N#CCCOCCN1CCC(c2ccc(O)cc2)CC1 ZINC000293447828 328275967 /nfs/dbraw/zinc/27/59/67/328275967.db2.gz KIYDDUIUBWSLEC-UHFFFAOYSA-N 0 3 274.364 2.502 20 30 CFEDHN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C#N)C1 ZINC000293603878 328277116 /nfs/dbraw/zinc/27/71/16/328277116.db2.gz PESZQHJNVHIUAZ-OCCSQVGLSA-N 0 3 273.336 2.761 20 30 CFEDHN C=CCOc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000340593683 328295346 /nfs/dbraw/zinc/29/53/46/328295346.db2.gz FNBQILVLLVACQZ-ZDUSSCGKSA-N 0 3 289.297 2.654 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnc(C)c2)CC1 ZINC000119729118 328307156 /nfs/dbraw/zinc/30/71/56/328307156.db2.gz SRVULYPSUHQHFF-UHFFFAOYSA-N 0 3 288.395 2.552 20 30 CFEDHN Cc1ccc(C#N)c(NCCN(C)Cc2ccc(F)cc2)n1 ZINC000161716913 322355935 /nfs/dbraw/zinc/35/59/35/322355935.db2.gz TWSFPTWPBMRTSV-UHFFFAOYSA-N 0 3 298.365 2.945 20 30 CFEDHN COCCOCc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000342135814 328417269 /nfs/dbraw/zinc/41/72/69/328417269.db2.gz LMDYVVSHKLZIGL-IAGOWNOFSA-N 0 3 288.391 2.631 20 30 CFEDHN N#Cc1csc(CN[C@@H]2COc3ccccc3C2)c1 ZINC000177692260 323701919 /nfs/dbraw/zinc/70/19/19/323701919.db2.gz GVKHJLQZQRVEMO-ZDUSSCGKSA-N 0 3 270.357 2.713 20 30 CFEDHN C=CCCCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415992553 328432704 /nfs/dbraw/zinc/43/27/04/328432704.db2.gz QYPCTEBLEBWQGE-UHFFFAOYSA-N 0 3 289.379 2.646 20 30 CFEDHN CO[C@H]([C@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000388253795 324501428 /nfs/dbraw/zinc/50/14/28/324501428.db2.gz AOHLXHRIKCZFPY-TVQRCGJNSA-N 0 3 250.367 2.523 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000581377645 325116254 /nfs/dbraw/zinc/11/62/54/325116254.db2.gz KUJMZPPXXZQSMG-JKSUJKDBSA-N 0 3 273.380 2.637 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000581377643 325116274 /nfs/dbraw/zinc/11/62/74/325116274.db2.gz KUJMZPPXXZQSMG-HOTGVXAUSA-N 0 3 273.380 2.637 20 30 CFEDHN CN(C)CCNc1c(C#N)cnc2c(Cl)cccc21 ZINC000581664014 325140993 /nfs/dbraw/zinc/14/09/93/325140993.db2.gz RIVGJMWLWDNFJG-UHFFFAOYSA-N 0 3 274.755 2.733 20 30 CFEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000582615078 325220114 /nfs/dbraw/zinc/22/01/14/325220114.db2.gz PGUFVOLVXLNVEJ-UONOGXRCSA-N 0 3 261.394 2.717 20 30 CFEDHN C[C@]12CN(Cc3ccc(C#N)cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000582674309 325225579 /nfs/dbraw/zinc/22/55/79/325225579.db2.gz JNBKHLBWQULWAE-YALNPMBYSA-N 0 3 267.376 2.821 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)C1(C#N)CC(C)C1 ZINC000557624493 327017077 /nfs/dbraw/zinc/01/70/77/327017077.db2.gz OETXVGVZJLERTF-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN C[C@@H](NC(=O)C1(C#N)CC(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000557772155 327026370 /nfs/dbraw/zinc/02/63/70/327026370.db2.gz NHRLNMOPCRBGOH-IFRCIOGXSA-N 0 3 299.418 2.734 20 30 CFEDHN C[C@H](NC(=O)C1(C#N)CC(C)C1)[C@H](c1ccccc1)N(C)C ZINC000557772151 327026382 /nfs/dbraw/zinc/02/63/82/327026382.db2.gz NHRLNMOPCRBGOH-DHCNJQPXSA-N 0 3 299.418 2.734 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000557986222 327038926 /nfs/dbraw/zinc/03/89/26/327038926.db2.gz WFGFEZUVSOLOAC-FPMFFAJLSA-N 0 3 272.348 2.508 20 30 CFEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2cc(F)ccc12 ZINC000558506733 327099769 /nfs/dbraw/zinc/09/97/69/327099769.db2.gz LMHMRFVPJDFSHT-GFCCVEGCSA-N 0 3 284.338 2.883 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C(C)C ZINC000076711311 327130766 /nfs/dbraw/zinc/13/07/66/327130766.db2.gz GRVXOFYBLMWGCH-QGZVFWFLSA-N 0 3 287.407 2.735 20 30 CFEDHN COc1cccc(C[C@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000566116607 327140005 /nfs/dbraw/zinc/14/00/05/327140005.db2.gz LWNKHAUIFIIHMN-DZGCQCFKSA-N 0 3 271.364 2.659 20 30 CFEDHN CC[C@@H](CO)N(C)Cc1cccc(OCCCC#N)c1 ZINC000449377789 327181075 /nfs/dbraw/zinc/18/10/75/327181075.db2.gz UNWCVENWYKFVKX-HNNXBMFYSA-N 0 3 276.380 2.572 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000426776441 327191051 /nfs/dbraw/zinc/19/10/51/327191051.db2.gz YOHLACXEMROSRX-AIANPOQGSA-N 0 3 291.439 2.551 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccccc2nc1OC ZINC000560140785 327285907 /nfs/dbraw/zinc/28/59/07/327285907.db2.gz PQGDIROXJZXSMW-CVEARBPZSA-N 0 3 284.359 2.677 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000569617296 327307642 /nfs/dbraw/zinc/30/76/42/327307642.db2.gz YQIKIHWNYAAJKQ-CZUORRHYSA-N 0 3 272.392 2.673 20 30 CFEDHN CN(C)CCSCC#Cc1cccc(Cl)c1 ZINC000157850839 327449114 /nfs/dbraw/zinc/44/91/14/327449114.db2.gz LMALVSNNPYAUPR-UHFFFAOYSA-N 0 3 253.798 2.986 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)NCC(C)(C)N1CCCCC1 ZINC000527357357 328666140 /nfs/dbraw/zinc/66/61/40/328666140.db2.gz OYTBOAFVRHIYOI-KRWDZBQOSA-N 0 3 296.455 2.596 20 30 CFEDHN C#Cc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000377647362 329022816 /nfs/dbraw/zinc/02/28/16/329022816.db2.gz KHITVZBHVVUHRP-LJQANCHMSA-N 0 3 277.367 2.592 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cc1 ZINC000377707383 329026175 /nfs/dbraw/zinc/02/61/75/329026175.db2.gz WSZNEGBTIXYWRB-RTBURBONSA-N 0 3 296.414 2.643 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2cccs2)C[C@@H]1C ZINC000377803946 329030100 /nfs/dbraw/zinc/03/01/00/329030100.db2.gz BCRLKRKFUYFNCU-RWMBFGLXSA-N 0 3 278.421 2.617 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000378030358 329037548 /nfs/dbraw/zinc/03/75/48/329037548.db2.gz VWCSTQRJMQZPMA-IUODEOHRSA-N 0 3 270.392 2.670 20 30 CFEDHN C#CCOc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000378342157 329046601 /nfs/dbraw/zinc/04/66/01/329046601.db2.gz NXNHWRUNJRKUML-UHFFFAOYSA-N 0 3 295.386 2.801 20 30 CFEDHN C=CCN1CCC(NC(=O)CCc2ccc(C)cc2)CC1 ZINC000171722098 329079101 /nfs/dbraw/zinc/07/91/01/329079101.db2.gz DLIQVUAWRKDWFN-UHFFFAOYSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000171721694 329079168 /nfs/dbraw/zinc/07/91/68/329079168.db2.gz GYOZKDYAOYSYKC-RRFJBIMHSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC[C@@H]2C)CC1 ZINC000171725158 329079333 /nfs/dbraw/zinc/07/93/33/329079333.db2.gz RXGRJRDRTGQYQW-LSDHHAIUSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000172390362 329135324 /nfs/dbraw/zinc/13/53/24/329135324.db2.gz ARPMGNVZZIENRE-KBPBESRZSA-N 0 3 293.455 2.761 20 30 CFEDHN C=C(C)CNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418333703 329146283 /nfs/dbraw/zinc/14/62/83/329146283.db2.gz SIDKHSOQBSFTNI-HNNXBMFYSA-N 0 3 275.396 2.685 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418336828 329158388 /nfs/dbraw/zinc/15/83/88/329158388.db2.gz XUIVPFBYEAYRCB-IUODEOHRSA-N 0 3 275.396 2.684 20 30 CFEDHN C=CCCCC(=O)NCC(C)(C)N1CCCCC1 ZINC000175085403 329162061 /nfs/dbraw/zinc/16/20/61/329162061.db2.gz AHELCNQRVYTEHX-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000582794125 329211305 /nfs/dbraw/zinc/21/13/05/329211305.db2.gz CSDXINUPUNOOSI-OAHLLOKOSA-N 0 3 279.428 2.613 20 30 CFEDHN C#CCCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000180013311 329214661 /nfs/dbraw/zinc/21/46/61/329214661.db2.gz BOWIWVLXNKENQT-INIZCTEOSA-N 0 3 276.424 2.657 20 30 CFEDHN Cn1cc([C@H](NCCCCC#N)c2cccc(F)c2)cn1 ZINC000180429225 329216772 /nfs/dbraw/zinc/21/67/72/329216772.db2.gz SIHMXAWSIJYOBW-MRXNPFEDSA-N 0 3 286.354 2.932 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000181050843 329225450 /nfs/dbraw/zinc/22/54/50/329225450.db2.gz JDFRAXMDESTVPA-ZDUSSCGKSA-N 0 3 277.364 2.635 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000181633369 329235177 /nfs/dbraw/zinc/23/51/77/329235177.db2.gz DCHBQQWUXCVCNY-HZPDHXFCSA-N 0 3 287.407 2.649 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(=O)[nH]1 ZINC000183203680 329248587 /nfs/dbraw/zinc/24/85/87/329248587.db2.gz DHHSKEXISKSGIG-NSHDSACASA-N 0 3 293.282 2.727 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC000183677482 329249354 /nfs/dbraw/zinc/24/93/54/329249354.db2.gz YHWCZBTUBDWDSZ-KBPBESRZSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)[C@@H]1CC ZINC000185646106 329328256 /nfs/dbraw/zinc/32/82/56/329328256.db2.gz VEYWVEVXMYOPLN-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000227842042 329329273 /nfs/dbraw/zinc/32/92/73/329329273.db2.gz XDQJUOOQDSJCRK-ZIAGYGMSSA-N 0 3 250.386 2.960 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@H]2CCCC[C@H]21 ZINC000227842048 329329392 /nfs/dbraw/zinc/32/93/92/329329392.db2.gz XDQJUOOQDSJCRK-KGLIPLIRSA-N 0 3 250.386 2.960 20 30 CFEDHN C=CCN(CC=C)CCc1ccccc1C(=O)OC ZINC000186659148 329347009 /nfs/dbraw/zinc/34/70/09/329347009.db2.gz JLFJGZIUCBGOEC-UHFFFAOYSA-N 0 3 259.349 2.690 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CCC1 ZINC000188040973 329363742 /nfs/dbraw/zinc/36/37/42/329363742.db2.gz FAYYCWPQGJCUGJ-UONOGXRCSA-N 0 3 264.413 2.674 20 30 CFEDHN CC1(C#N)CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000232808103 329391541 /nfs/dbraw/zinc/39/15/41/329391541.db2.gz NHSAHAFGTURJFM-AWEZNQCLSA-N 0 3 250.386 2.553 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](O)CC(F)(F)F ZINC000583807600 329480051 /nfs/dbraw/zinc/48/00/51/329480051.db2.gz RQJUBEHQWXLRJJ-LBPRGKRZSA-N 0 3 289.297 2.654 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000135095097 329663725 /nfs/dbraw/zinc/66/37/25/329663725.db2.gz NTKAQORARMKLSN-KRWDZBQOSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CC(C)(C)CN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419227196 329712377 /nfs/dbraw/zinc/71/23/77/329712377.db2.gz JXQDDCPRUBWXJG-ZDUSSCGKSA-N 0 3 293.411 2.704 20 30 CFEDHN C=CCC1(CN[C@@H](C(N)=O)c2ccccc2)CCCC1 ZINC000419253215 329714428 /nfs/dbraw/zinc/71/44/28/329714428.db2.gz IMQDHBHEKPFCMZ-OAHLLOKOSA-N 0 3 272.392 2.939 20 30 CFEDHN C=CCN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000077376443 329924997 /nfs/dbraw/zinc/92/49/97/329924997.db2.gz JDLCPXNUHQMUSG-UHFFFAOYSA-N 0 3 279.771 2.572 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@](C)(N)CCC)c1 ZINC000262108752 329999719 /nfs/dbraw/zinc/99/97/19/329999719.db2.gz GGHCMJLSCVVUSN-OAHLLOKOSA-N 0 3 262.353 2.707 20 30 CFEDHN C=CCCN1CCNC[C@H]1c1ccccc1Cl ZINC000262150015 330000660 /nfs/dbraw/zinc/00/06/60/330000660.db2.gz FXXUARRAXAWGPN-AWEZNQCLSA-N 0 3 250.773 2.862 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000432785170 330034995 /nfs/dbraw/zinc/03/49/95/330034995.db2.gz RWTUALGHTRASOT-ZDUSSCGKSA-N 0 3 254.418 2.681 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCc1cccc(CN(C)C)c1 ZINC000079451655 330035182 /nfs/dbraw/zinc/03/51/82/330035182.db2.gz MEFTWFZNVWBPCZ-UHFFFAOYSA-N 0 3 289.423 2.856 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336808994 330058720 /nfs/dbraw/zinc/05/87/20/330058720.db2.gz DKOHKYGLTKCDFE-GFCCVEGCSA-N 0 3 278.318 2.706 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(OC[C@H]3CCCCO3)CC2)C1 ZINC000429682843 330059463 /nfs/dbraw/zinc/05/94/63/330059463.db2.gz IDKXDNMKMRVAHA-HLLBOEOZSA-N 0 3 292.423 2.729 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000580435278 330133381 /nfs/dbraw/zinc/13/33/81/330133381.db2.gz RNCBKUAYMDMJNZ-QZTJIDSGSA-N 0 3 296.418 2.684 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)c1 ZINC000423077451 330168460 /nfs/dbraw/zinc/16/84/60/330168460.db2.gz MJVBKZUBZSVLEH-WFASDCNBSA-N 0 3 274.364 2.578 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@H]1C[C@H](C)CCN1 ZINC000423201790 330176749 /nfs/dbraw/zinc/17/67/49/330176749.db2.gz JKTWMSAXXMAIGK-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CNCCC1(F)F)c1ccco1 ZINC000423466965 330204538 /nfs/dbraw/zinc/20/45/38/330204538.db2.gz AWSIXEWTKZENQT-YPMHNXCESA-N 0 3 270.323 2.874 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000424070423 330219938 /nfs/dbraw/zinc/21/99/38/330219938.db2.gz RTEKIFITCMYBHU-MRXNPFEDSA-N 0 3 299.418 2.636 20 30 CFEDHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](N)CCCC#N ZINC000424075030 330220433 /nfs/dbraw/zinc/22/04/33/330220433.db2.gz IJTQLHBLXYEZMA-LLVKDONJSA-N 0 3 295.770 2.617 20 30 CFEDHN Cc1nc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2s1 ZINC000424079276 330221419 /nfs/dbraw/zinc/22/14/19/330221419.db2.gz QXWKXRCTUDZFIF-NSHDSACASA-N 0 3 288.376 2.564 20 30 CFEDHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424086623 330222521 /nfs/dbraw/zinc/22/25/21/330222521.db2.gz DNLZHKVAJZUAMX-RISCZKNCSA-N 0 3 293.798 2.881 20 30 CFEDHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424086625 330222680 /nfs/dbraw/zinc/22/26/80/330222680.db2.gz DNLZHKVAJZUAMX-SMDDNHRTSA-N 0 3 293.798 2.881 20 30 CFEDHN Cc1ccccc1[C@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424082600 330223828 /nfs/dbraw/zinc/22/38/28/330223828.db2.gz AFJYBSDEPXLJGW-DZGCQCFKSA-N 0 3 273.380 2.536 20 30 CFEDHN Cc1ccccc1[C@@H](C)N(C)C(=O)[C@H](N)CCCC#N ZINC000424082604 330223890 /nfs/dbraw/zinc/22/38/90/330223890.db2.gz AFJYBSDEPXLJGW-UKRRQHHQSA-N 0 3 273.380 2.536 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NCCc1cccc2ccccc21 ZINC000424094040 330226313 /nfs/dbraw/zinc/22/63/13/330226313.db2.gz TXXUOMZJJCDNEX-KRWDZBQOSA-N 0 3 295.386 2.520 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NCCc1ccc2ccccc2c1 ZINC000424094900 330226533 /nfs/dbraw/zinc/22/65/33/330226533.db2.gz MITVTRWLWQPDNI-KRWDZBQOSA-N 0 3 295.386 2.520 20 30 CFEDHN C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424104258 330233922 /nfs/dbraw/zinc/23/39/22/330233922.db2.gz UEMYABLVPFTOIC-FZMZJTMJSA-N 0 3 293.798 2.881 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000424104326 330233927 /nfs/dbraw/zinc/23/39/27/330233927.db2.gz SQOUBFIGJKHOQA-IAGOWNOFSA-N 0 3 297.402 2.686 20 30 CFEDHN CCCN(CC1CCCCC1)C(=O)[C@H](N)CCCC#N ZINC000424105231 330234024 /nfs/dbraw/zinc/23/40/24/330234024.db2.gz VDISTELAONKZME-OAHLLOKOSA-N 0 3 279.428 2.826 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000424112315 330240344 /nfs/dbraw/zinc/24/03/44/330240344.db2.gz JICDZVIQWUKBRC-JKSUJKDBSA-N 0 3 291.439 2.969 20 30 CFEDHN Cc1ccccc1C[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424114163 330242955 /nfs/dbraw/zinc/24/29/55/330242955.db2.gz QAZKPCTVKIMIHF-IAGOWNOFSA-N 0 3 299.418 2.550 20 30 CFEDHN Cc1coc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)n1 ZINC000424119546 330246747 /nfs/dbraw/zinc/24/67/47/330246747.db2.gz DYKMIIJXEZHQCQ-AWEZNQCLSA-N 0 3 298.346 2.610 20 30 CFEDHN CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424119966 330247941 /nfs/dbraw/zinc/24/79/41/330247941.db2.gz DJDJJMGQPUFDIV-HZPDHXFCSA-N 0 3 287.407 2.863 20 30 CFEDHN C[C@]1(c2ccccc2)CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424122875 330254969 /nfs/dbraw/zinc/25/49/69/330254969.db2.gz JXLVVJUUDJHFCL-AEFFLSMTSA-N 0 3 299.418 2.588 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N(CC1CCC1)c1ccccc1 ZINC000424125066 330258066 /nfs/dbraw/zinc/25/80/66/330258066.db2.gz NIAUOVJBRYTGCJ-MRXNPFEDSA-N 0 3 285.391 2.841 20 30 CFEDHN CC(C)(C)[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424129590 330260296 /nfs/dbraw/zinc/26/02/96/330260296.db2.gz SFORVOPZJVEKIZ-UONOGXRCSA-N 0 3 279.428 2.682 20 30 CFEDHN Cc1cnc(-c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)o1 ZINC000424136809 330272682 /nfs/dbraw/zinc/27/26/82/330272682.db2.gz KURLMANYIWONKA-AWEZNQCLSA-N 0 3 298.346 2.610 20 30 CFEDHN CC(C)Nc1ccc(F)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424137774 330275141 /nfs/dbraw/zinc/27/51/41/330275141.db2.gz SMVCLBBEYICTJL-LBPRGKRZSA-N 0 3 292.358 2.606 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccncc1Cl ZINC000527703046 330275192 /nfs/dbraw/zinc/27/51/92/330275192.db2.gz IVJWLXGNTICOQT-GXTWGEPZSA-N 0 3 266.772 2.806 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@]2(C)OCC)cc1 ZINC000527783168 330283119 /nfs/dbraw/zinc/28/31/19/330283119.db2.gz GXVDTYQBAYAFSQ-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(C)CC(CC(C)C)NC(=O)[C@H](N)CCCC#N ZINC000424144912 330290033 /nfs/dbraw/zinc/29/00/33/330290033.db2.gz TVBSIERTNBISDN-CQSZACIVSA-N 0 3 267.417 2.585 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527890791 330292315 /nfs/dbraw/zinc/29/23/15/330292315.db2.gz SKNBMZBRDNQOPV-IINYFYTJSA-N 0 3 269.747 2.993 20 30 CFEDHN C[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424171579 330311731 /nfs/dbraw/zinc/31/17/31/330311731.db2.gz MGAYZLQNZCADQH-HIFRSBDPSA-N 0 3 285.391 2.938 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424174229 330314364 /nfs/dbraw/zinc/31/43/64/330314364.db2.gz NZLMQLLRXWYJCQ-KBPBESRZSA-N 0 3 273.380 2.502 20 30 CFEDHN C=CCn1cc(CNCC2(CCOC)CCCCC2)nn1 ZINC000424177335 330317601 /nfs/dbraw/zinc/31/76/01/330317601.db2.gz ZVKLSFFKWLGOHO-UHFFFAOYSA-N 0 3 292.427 2.541 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cnc([C@H]2CCCO2)s1 ZINC000424179206 330318583 /nfs/dbraw/zinc/31/85/83/330318583.db2.gz XWQRWHSEDURVBU-FPMFFAJLSA-N 0 3 294.420 2.675 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)CCC)CC1 ZINC000106267609 330334504 /nfs/dbraw/zinc/33/45/04/330334504.db2.gz GYRNLSUHQLWLJF-AWEZNQCLSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCn1cc(CN[C@H](Cc2ccccc2C)C2CC2)nn1 ZINC000424290777 330334718 /nfs/dbraw/zinc/33/47/18/330334718.db2.gz CGMPYXHQAJPPJK-GOSISDBHSA-N 0 3 296.418 2.883 20 30 CFEDHN C=CCn1cc(CN[C@H](Cc2cccc(C)c2)C2CC2)nn1 ZINC000424293633 330335486 /nfs/dbraw/zinc/33/54/86/330335486.db2.gz JAHIDHNLBYRBBH-GOSISDBHSA-N 0 3 296.418 2.883 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@H](C)c2ccccc2)nn1 ZINC000424296381 330336069 /nfs/dbraw/zinc/33/60/69/330336069.db2.gz OGUVFDWMSIABNE-UONOGXRCSA-N 0 3 270.380 2.746 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(Cl)cn1 ZINC000424296511 330336158 /nfs/dbraw/zinc/33/61/58/330336158.db2.gz OVGAJTVDZHRKSO-MJVIPROJSA-N 0 3 266.772 2.977 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc2ccccc2n1C ZINC000424297020 330336275 /nfs/dbraw/zinc/33/62/75/330336275.db2.gz POTWTQCMMSSICW-XEZPLFJOSA-N 0 3 285.391 2.815 20 30 CFEDHN C=CCn1cc(CN[C@@H](CCC(C)C)C2CC2)nn1 ZINC000424299993 330336982 /nfs/dbraw/zinc/33/69/82/330336982.db2.gz WLRDZKDLMRPHIK-HNNXBMFYSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCN(C)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000119099287 330370115 /nfs/dbraw/zinc/37/01/15/330370115.db2.gz GSVCKZOTNIJCAB-CQSZACIVSA-N 0 3 289.423 2.943 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCc1ccccc1CN(C)C ZINC000424537059 330370122 /nfs/dbraw/zinc/37/01/22/330370122.db2.gz GONGYGLRGBKYKO-UHFFFAOYSA-N 0 3 274.408 2.967 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000119782494 330379813 /nfs/dbraw/zinc/37/98/13/330379813.db2.gz WXCJIEWTHQSADT-ZIAGYGMSSA-N 0 3 296.455 2.735 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000058296745 330387788 /nfs/dbraw/zinc/38/77/88/330387788.db2.gz NXUIBJWDJVUKGV-HNNXBMFYSA-N 0 3 290.407 2.562 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)ncc2C)CC1 ZINC000515072609 330469997 /nfs/dbraw/zinc/46/99/97/330469997.db2.gz LQYDCICLRLEHQX-UHFFFAOYSA-N 0 3 260.385 2.546 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCCc2ccccc21 ZINC000516046496 330486227 /nfs/dbraw/zinc/48/62/27/330486227.db2.gz MNWCPYHJIXUBLC-JKSUJKDBSA-N 0 3 285.391 2.544 20 30 CFEDHN CCO[C@@H]1C[C@H](NCC2(C#N)CC2)C1(CC)CC ZINC000429356723 330544370 /nfs/dbraw/zinc/54/43/70/330544370.db2.gz UQVUVXIMUWZCJY-QWHCGFSZSA-N 0 3 250.386 2.864 20 30 CFEDHN COC[C@@H](Cc1ccccc1)NCC1(CC#N)CC1 ZINC000430748638 330572913 /nfs/dbraw/zinc/57/29/13/330572913.db2.gz FQZAFCWRVWCUDZ-OAHLLOKOSA-N 0 3 258.365 2.528 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000436391595 330676484 /nfs/dbraw/zinc/67/64/84/330676484.db2.gz QRICGHSHJYRMHR-UHFFFAOYSA-N 0 3 280.318 2.945 20 30 CFEDHN OCCC1(NCC#Cc2ccc(F)cc2)CCCCC1 ZINC000440894630 330757457 /nfs/dbraw/zinc/75/74/57/330757457.db2.gz PHGFVLOMBBEDRK-UHFFFAOYSA-N 0 3 275.367 2.852 20 30 CFEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(F)cc2F)C1 ZINC000442780724 330782513 /nfs/dbraw/zinc/78/25/13/330782513.db2.gz LFPCSEBTTXIQCN-JQWIXIFHSA-N 0 3 266.291 2.625 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2-n2ccnc2)C1 ZINC000442782241 330782733 /nfs/dbraw/zinc/78/27/33/330782733.db2.gz KUDGMQRRWGJQIE-DZGCQCFKSA-N 0 3 266.348 2.654 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccccc1SC ZINC000442861497 330787932 /nfs/dbraw/zinc/78/79/32/330787932.db2.gz MYXVIEIHAXNBAJ-NWDGAFQWSA-N 0 3 251.395 2.996 20 30 CFEDHN C=CCCCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000447795290 330877049 /nfs/dbraw/zinc/87/70/49/330877049.db2.gz NAWXRSQMWDPVKM-GFCCVEGCSA-N 0 3 297.196 2.531 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](C)NCCC)c1 ZINC000449104958 330899269 /nfs/dbraw/zinc/89/92/69/330899269.db2.gz XGTGQINJEKFXEB-GFCCVEGCSA-N 0 3 262.353 2.578 20 30 CFEDHN COCC1(C#N)CCN(CCc2cccc(C)c2)CC1 ZINC000449309721 330913749 /nfs/dbraw/zinc/91/37/49/330913749.db2.gz BVUXCDDAYFZGTG-UHFFFAOYSA-N 0 3 272.392 2.790 20 30 CFEDHN CO[C@H](CN[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000449392481 330921866 /nfs/dbraw/zinc/92/18/66/330921866.db2.gz JCMRVYMXVMHLKN-XHSDSOJGSA-N 0 3 258.365 2.526 20 30 CFEDHN CCOC(=O)c1coc(CN[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000449445867 330926198 /nfs/dbraw/zinc/92/61/98/330926198.db2.gz MIGGSOOAEHFMOG-AAEUAGOBSA-N 0 3 276.336 2.628 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC)c(OC)c1 ZINC000449521816 330933580 /nfs/dbraw/zinc/93/35/80/330933580.db2.gz SNCWUBSJXQZYKF-KGLIPLIRSA-N 0 3 277.364 2.527 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(F)c1 ZINC000449546624 330935307 /nfs/dbraw/zinc/93/53/07/330935307.db2.gz CQAWWEAHOFNUJT-KGLIPLIRSA-N 0 3 265.328 2.658 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449546718 330935312 /nfs/dbraw/zinc/93/53/12/330935312.db2.gz DNHNTICKPZYGJW-ZTHSPGPESA-N 0 3 288.347 2.931 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OC)c1C ZINC000449549525 330936043 /nfs/dbraw/zinc/93/60/43/330936043.db2.gz YTKWRRDZDRXRSF-CABCVRRESA-N 0 3 291.391 2.835 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)CCCC1 ZINC000450264689 330969251 /nfs/dbraw/zinc/96/92/51/330969251.db2.gz GPCPAIFVROHBLV-ZIAGYGMSSA-N 0 3 296.480 2.627 20 30 CFEDHN CCC[C@@]1(COC)CCCN1CC1(C#N)CCC1 ZINC000450868605 331003889 /nfs/dbraw/zinc/00/38/89/331003889.db2.gz IPBBRTPNLRGDFR-HNNXBMFYSA-N 0 3 250.386 2.961 20 30 CFEDHN CN1CC[C@@H](NCC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000450937175 331008107 /nfs/dbraw/zinc/00/81/07/331008107.db2.gz NNHBNIVKOGYKIL-HZPDHXFCSA-N 0 3 269.392 2.715 20 30 CFEDHN CC1(C#N)CCC(NCC(=O)Nc2cccc(F)c2)CC1 ZINC000451121351 331016415 /nfs/dbraw/zinc/01/64/15/331016415.db2.gz OCOHSONCGQJFAL-UHFFFAOYSA-N 0 3 289.354 2.826 20 30 CFEDHN C=C(C)CCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451278468 331022801 /nfs/dbraw/zinc/02/28/01/331022801.db2.gz CPDCRJTUOHQZGX-HZPDHXFCSA-N 0 3 263.356 2.753 20 30 CFEDHN O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000451414034 331028379 /nfs/dbraw/zinc/02/83/79/331028379.db2.gz CRDJFPLPYSVZBZ-KZNAEPCWSA-N 0 3 287.378 2.803 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCC#Cc2ccccc2)C1(C)C ZINC000451490994 331031315 /nfs/dbraw/zinc/03/13/15/331031315.db2.gz PHARXYZDDGSWJI-NVXWUHKLSA-N 0 3 257.377 2.831 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451522793 331032570 /nfs/dbraw/zinc/03/25/70/331032570.db2.gz ICQMLMGDTANFEB-HRCADAONSA-N 0 3 296.455 2.546 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000451599484 331035683 /nfs/dbraw/zinc/03/56/83/331035683.db2.gz OFBFFNQFTXNMNN-MAZHCROVSA-N 0 3 288.391 2.509 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000451600192 331035759 /nfs/dbraw/zinc/03/57/59/331035759.db2.gz QNTBETMPKIMIKJ-BMFZPTHFSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1C ZINC000451601567 331035904 /nfs/dbraw/zinc/03/59/04/331035904.db2.gz APJUUACCQJCPII-KGLIPLIRSA-N 0 3 294.782 2.520 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000451603484 331036103 /nfs/dbraw/zinc/03/61/03/331036103.db2.gz CUDKWWMFKZYXSV-CABCVRRESA-N 0 3 295.304 2.990 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000451604815 331036122 /nfs/dbraw/zinc/03/61/22/331036122.db2.gz IQMQEQMUVHQMSF-QKCSRTOESA-N 0 3 262.309 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000451610278 331036740 /nfs/dbraw/zinc/03/67/40/331036740.db2.gz YEEHPGQBPARELB-KGLIPLIRSA-N 0 3 294.782 2.520 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@@H](CO)CC(C)(C)C ZINC000451778049 331041737 /nfs/dbraw/zinc/04/17/37/331041737.db2.gz CFMGONPVIREXDT-MRXNPFEDSA-N 0 3 277.383 2.906 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@H](CO)CC(C)(C)C ZINC000451778047 331041745 /nfs/dbraw/zinc/04/17/45/331041745.db2.gz CFMGONPVIREXDT-INIZCTEOSA-N 0 3 277.383 2.906 20 30 CFEDHN CO[C@H]1C[C@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000451852608 331044765 /nfs/dbraw/zinc/04/47/65/331044765.db2.gz NWKJGNGDWKFNDU-STQMWFEESA-N 0 3 250.386 2.816 20 30 CFEDHN C=C(CC)CN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451883638 331046060 /nfs/dbraw/zinc/04/60/60/331046060.db2.gz VDZRYSVVLFPRPO-GFCCVEGCSA-N 0 3 264.335 2.769 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@]2(CCSC2)C1 ZINC000451954794 331048118 /nfs/dbraw/zinc/04/81/18/331048118.db2.gz AGIFIFQVVYYJCM-INIZCTEOSA-N 0 3 296.480 2.630 20 30 CFEDHN C=C(CC)CN1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452007040 331050227 /nfs/dbraw/zinc/05/02/27/331050227.db2.gz PPCKQFQTBXRTDX-CVEARBPZSA-N 0 3 273.376 2.841 20 30 CFEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000452068221 331052732 /nfs/dbraw/zinc/05/27/32/331052732.db2.gz BOZDZKPEYDJWHN-SUMWQHHRSA-N 0 3 291.439 2.553 20 30 CFEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000452084518 331053468 /nfs/dbraw/zinc/05/34/68/331053468.db2.gz LAHCDMGTAALGCJ-UONOGXRCSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CCC1(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CCC1 ZINC000452173793 331057091 /nfs/dbraw/zinc/05/70/91/331057091.db2.gz NPTOCLXQLZCVHQ-AWEZNQCLSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452178313 331057166 /nfs/dbraw/zinc/05/71/66/331057166.db2.gz YYLSGVCQLOALLQ-XJKSGUPXSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000452719536 331073542 /nfs/dbraw/zinc/07/35/42/331073542.db2.gz TYVULQSJTUGCAQ-OAHLLOKOSA-N 0 3 264.413 2.866 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H]1C1CC1 ZINC000453009429 331083345 /nfs/dbraw/zinc/08/33/45/331083345.db2.gz FUTCZPIVZBEKNK-DLBZAZTESA-N 0 3 287.403 2.639 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453162374 331095863 /nfs/dbraw/zinc/09/58/63/331095863.db2.gz KFAYXOIUMVTVPP-LSDHHAIUSA-N 0 3 299.418 2.922 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1CCCCN1CCO)c1ccco1 ZINC000453253259 331107993 /nfs/dbraw/zinc/10/79/93/331107993.db2.gz CUALMSYRMLCZDD-JKSUJKDBSA-N 0 3 292.423 2.723 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(F)cn1 ZINC000453334412 331118122 /nfs/dbraw/zinc/11/81/22/331118122.db2.gz DUZFUOVGYGGBQL-GDLCADMTSA-N 0 3 250.317 2.605 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2c1c(F)ccc2F ZINC000453352091 331120870 /nfs/dbraw/zinc/12/08/70/331120870.db2.gz KULZGLHDAJGNLQ-IINYFYTJSA-N 0 3 267.319 2.869 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000453365247 331123077 /nfs/dbraw/zinc/12/30/77/331123077.db2.gz RGSVGLRHBNRBBY-GJZGRUSLSA-N 0 3 283.799 2.944 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1sc(CC)nc1C ZINC000453369243 331123767 /nfs/dbraw/zinc/12/37/67/331123767.db2.gz SVZQDDDRENLOLH-PWSUYJOCSA-N 0 3 268.426 2.992 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000454262582 331143103 /nfs/dbraw/zinc/14/31/03/331143103.db2.gz SQFALFZTUAQGSI-KBPBESRZSA-N 0 3 281.444 2.761 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000454468353 331146888 /nfs/dbraw/zinc/14/68/88/331146888.db2.gz ZRZFPUKVONJKNN-INIZCTEOSA-N 0 3 289.423 2.863 20 30 CFEDHN C=C(CC)CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000454493459 331147406 /nfs/dbraw/zinc/14/74/06/331147406.db2.gz ZNXJBIKXANRKEG-OKILXGFUSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2CC)CC1 ZINC000454536028 331148336 /nfs/dbraw/zinc/14/83/36/331148336.db2.gz GDOGLQYMFUCNBQ-GJZGRUSLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](CC)C2CCCC2)CC1 ZINC000454541023 331148384 /nfs/dbraw/zinc/14/83/84/331148384.db2.gz KEZUJHGMYHTDNA-MRXNPFEDSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000454628651 331150054 /nfs/dbraw/zinc/15/00/54/331150054.db2.gz HTYMJYMPHIVLKO-AWEZNQCLSA-N 0 3 281.444 2.618 20 30 CFEDHN C=CCC[C@H](NC(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000454697921 331151683 /nfs/dbraw/zinc/15/16/83/331151683.db2.gz KBLAZQRMNUYINY-HOCLYGCPSA-N 0 3 289.423 2.943 20 30 CFEDHN CC(C#N)C(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000456771652 331202306 /nfs/dbraw/zinc/20/23/06/331202306.db2.gz LEYRGCDUPSODPY-NSHDSACASA-N 0 3 274.339 2.912 20 30 CFEDHN C=C(CC)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000456823094 331205805 /nfs/dbraw/zinc/20/58/05/331205805.db2.gz AKGFLCJFZMAVBJ-UHFFFAOYSA-N 0 3 286.419 2.981 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457082846 331211857 /nfs/dbraw/zinc/21/18/57/331211857.db2.gz FGCGWMXUEFEURP-HIFRSBDPSA-N 0 3 252.402 2.530 20 30 CFEDHN CCC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457274040 331217784 /nfs/dbraw/zinc/21/77/84/331217784.db2.gz JRQSPHKBKZPIHM-OAHLLOKOSA-N 0 3 256.349 2.627 20 30 CFEDHN CCC1CN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000457274038 331217788 /nfs/dbraw/zinc/21/77/88/331217788.db2.gz JRQSPHKBKZPIHM-HNNXBMFYSA-N 0 3 256.349 2.627 20 30 CFEDHN CC(C)(CC#N)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000457996305 331240072 /nfs/dbraw/zinc/24/00/72/331240072.db2.gz SAAMTZSHDJPOQW-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000457997101 331240175 /nfs/dbraw/zinc/24/01/75/331240175.db2.gz OPKKDWJLCDLWIZ-IACUBPJLSA-N 0 3 256.349 2.702 20 30 CFEDHN C=C(C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000458766024 331259426 /nfs/dbraw/zinc/25/94/26/331259426.db2.gz JXLDAVQINMVOAS-ZBFHGGJFSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458806675 331260293 /nfs/dbraw/zinc/26/02/93/331260293.db2.gz CNKMQWPTLHCOGS-CQSZACIVSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000458808877 331260650 /nfs/dbraw/zinc/26/06/50/331260650.db2.gz JUZCJRRIGKNYIP-KBPBESRZSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000458983359 331263727 /nfs/dbraw/zinc/26/37/27/331263727.db2.gz CXKZEKVJHZOTTP-AWEZNQCLSA-N 0 3 293.455 2.714 20 30 CFEDHN Cc1cnn(CCCCCN[C@H]2CCC[C@H]2C#N)c1 ZINC000459467181 331283179 /nfs/dbraw/zinc/28/31/79/331283179.db2.gz PGWJEIXXEPDQLN-GJZGRUSLSA-N 0 3 260.385 2.644 20 30 CFEDHN CCOc1cc(CNCC2(CC#N)CC2)ccc1O ZINC000459524130 331285884 /nfs/dbraw/zinc/28/58/84/331285884.db2.gz ZAPMAEVMRYZTTA-UHFFFAOYSA-N 0 3 260.337 2.574 20 30 CFEDHN C=CCC1(CNCc2cn3cccnc3n2)CCCC1 ZINC000459570648 331288394 /nfs/dbraw/zinc/28/83/94/331288394.db2.gz MSGRJVAZVZPYTL-UHFFFAOYSA-N 0 3 270.380 2.955 20 30 CFEDHN COc1ccc(CNCC(C)(C)CC#N)c(OC)c1 ZINC000459691637 331294654 /nfs/dbraw/zinc/29/46/54/331294654.db2.gz KUBHHJQDSRTHMK-UHFFFAOYSA-N 0 3 262.353 2.733 20 30 CFEDHN C=CC[C@@H](CO)CNc1c(C)cnc2c(C)cccc21 ZINC000462693437 331325403 /nfs/dbraw/zinc/32/54/03/331325403.db2.gz VKTAYFKYHVAJTM-CQSZACIVSA-N 0 3 270.376 2.870 20 30 CFEDHN C=CCCCN(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488454051 332010803 /nfs/dbraw/zinc/01/08/03/332010803.db2.gz XZROMZNGLWBIHQ-UHFFFAOYSA-N 0 3 289.375 2.929 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000488590326 332019528 /nfs/dbraw/zinc/01/95/28/332019528.db2.gz CSEKKIOXGYKNSB-INIZCTEOSA-N 0 3 297.402 2.707 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCCCCC1 ZINC000488879001 332031620 /nfs/dbraw/zinc/03/16/20/332031620.db2.gz RBFQVXAHFOMWLO-HUUCEWRRSA-N 0 3 264.413 2.818 20 30 CFEDHN C=CCn1cccc1C(=O)NCCN1CCCC[C@@H]1CC ZINC000488940475 332034494 /nfs/dbraw/zinc/03/44/94/332034494.db2.gz ODTQVUHOLZMGPU-HNNXBMFYSA-N 0 3 289.423 2.668 20 30 CFEDHN C=CCCCCCN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000489007862 332037381 /nfs/dbraw/zinc/03/73/81/332037381.db2.gz AHRDPNGLWSJHNI-AWEZNQCLSA-N 0 3 273.442 2.632 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)COCc1ccccc1F ZINC000489431522 332052038 /nfs/dbraw/zinc/05/20/38/332052038.db2.gz HSKUMRKQWKFNBB-HOTGVXAUSA-N 0 3 293.382 2.744 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490304002 332086256 /nfs/dbraw/zinc/08/62/56/332086256.db2.gz XNZKADGABSJILG-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C#CC(C)(C)N(C)CCOCC(F)(F)C(F)(F)F ZINC000491164724 332158900 /nfs/dbraw/zinc/15/89/00/332158900.db2.gz FAOLSQDGGKHSOB-UHFFFAOYSA-N 0 3 273.245 2.544 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000491241108 332172353 /nfs/dbraw/zinc/17/23/53/332172353.db2.gz GXDQGAORNJJSOE-UXLLHSPISA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN(CC)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000491309129 332187435 /nfs/dbraw/zinc/18/74/35/332187435.db2.gz XAYNZVVERLEKTL-QGZVFWFLSA-N 0 3 295.386 2.504 20 30 CFEDHN C#CCNC(=O)CCN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000491387453 332202722 /nfs/dbraw/zinc/20/27/22/332202722.db2.gz YDGWEKGRRITVHX-IAGOWNOFSA-N 0 3 284.403 2.600 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000491485619 332220385 /nfs/dbraw/zinc/22/03/85/332220385.db2.gz PRAJKUYEQPETHJ-DOTOQJQBSA-N 0 3 257.377 2.937 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H]1CCO[C@H](C)C1 ZINC000491485620 332220394 /nfs/dbraw/zinc/22/03/94/332220394.db2.gz PRAJKUYEQPETHJ-NVXWUHKLSA-N 0 3 257.377 2.937 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000491486430 332220824 /nfs/dbraw/zinc/22/08/24/332220824.db2.gz WBSXMDIXNFTPKN-KGLIPLIRSA-N 0 3 269.747 2.760 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CCC)C2CCCC2)CC1 ZINC000491523225 332228907 /nfs/dbraw/zinc/22/89/07/332228907.db2.gz CGQWZNHVFPTMAE-QGZVFWFLSA-N 0 3 290.451 2.807 20 30 CFEDHN C#C[C@H](NC1CCC(NC(C)=O)CC1)c1ccc(F)cc1 ZINC000491538218 332232942 /nfs/dbraw/zinc/23/29/42/332232942.db2.gz XLMLCJBGFFZGOO-JCYILVPMSA-N 0 3 288.366 2.537 20 30 CFEDHN C#C[C@@H](CC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000491555594 332237576 /nfs/dbraw/zinc/23/75/76/332237576.db2.gz RZDAOSDTOLNKET-LBPRGKRZSA-N 0 3 284.359 2.636 20 30 CFEDHN C#C[C@H](C)N(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000491566197 332239058 /nfs/dbraw/zinc/23/90/58/332239058.db2.gz FAGLPEMVZZFDOB-INIZCTEOSA-N 0 3 298.430 2.769 20 30 CFEDHN C#CCN(CCC[C@H](C)O)[C@@H]1CCc2ccccc21 ZINC000491626033 332249578 /nfs/dbraw/zinc/24/95/78/332249578.db2.gz LHGYIORAJZDYFB-WMLDXEAASA-N 0 3 257.377 2.770 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1ccccc1Br)C(C)C ZINC000491634238 332255392 /nfs/dbraw/zinc/25/53/92/332255392.db2.gz UVFMNAITELMXLJ-KGLIPLIRSA-N 0 3 296.208 2.730 20 30 CFEDHN C#C[C@@H](C)N(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000491636385 332257163 /nfs/dbraw/zinc/25/71/63/332257163.db2.gz WAQPTVVLECIFCG-OAHLLOKOSA-N 0 3 284.403 2.766 20 30 CFEDHN C#C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000491638288 332259020 /nfs/dbraw/zinc/25/90/20/332259020.db2.gz XDUSJTVDVUHABS-CVEARBPZSA-N 0 3 286.419 2.844 20 30 CFEDHN C#CCN(CC)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491655665 332267756 /nfs/dbraw/zinc/26/77/56/332267756.db2.gz CFPIZUXEUQBUMO-AWEZNQCLSA-N 0 3 280.412 2.589 20 30 CFEDHN C#C[C@@H](NCc1c(C)nc2ccccn21)C(C)(C)C ZINC000491659716 332270220 /nfs/dbraw/zinc/27/02/20/332270220.db2.gz ISBKYXUMYLYYDV-CQSZACIVSA-N 0 3 255.365 2.780 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000491675654 332281260 /nfs/dbraw/zinc/28/12/60/332281260.db2.gz ZTFTZNIWNNZPBP-JKSUJKDBSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN(CCO[C@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000491694825 332290605 /nfs/dbraw/zinc/29/06/05/332290605.db2.gz LVWOCIOIYCXENB-RHSMWYFYSA-N 0 3 268.360 2.538 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000491716591 332306412 /nfs/dbraw/zinc/30/64/12/332306412.db2.gz UBDRLMLEEROJTP-WBVHZDCISA-N 0 3 273.376 2.746 20 30 CFEDHN C#CCN(Cc1ncccc1O)[C@H]1CCc2ccccc21 ZINC000491728510 332311125 /nfs/dbraw/zinc/31/11/25/332311125.db2.gz MKJRZBSZFQLLCJ-KRWDZBQOSA-N 0 3 278.355 2.910 20 30 CFEDHN C#C[C@@H](CCC)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491741069 332320144 /nfs/dbraw/zinc/32/01/44/332320144.db2.gz ZBHKCIHHHVZLQJ-HOTGVXAUSA-N 0 3 272.392 2.598 20 30 CFEDHN C#C[C@@H](NC(=O)c1ccccc1CN(C)C)C(C)(C)C ZINC000491765451 332333831 /nfs/dbraw/zinc/33/38/31/332333831.db2.gz DFTFQFPKAJDLAH-OAHLLOKOSA-N 0 3 272.392 2.526 20 30 CFEDHN C#C[C@H](CC)NCc1c(C2CC2)nc2sccn12 ZINC000491767138 332335066 /nfs/dbraw/zinc/33/50/66/332335066.db2.gz GPFFWAZLTKAGPM-LLVKDONJSA-N 0 3 259.378 2.775 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(-c2cnn(C)c2)s1 ZINC000491769281 332336571 /nfs/dbraw/zinc/33/65/71/332336571.db2.gz KWDLVWQMGHPFMR-GFCCVEGCSA-N 0 3 259.378 2.650 20 30 CFEDHN C#C[C@@H](C)N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000491814625 332366050 /nfs/dbraw/zinc/36/60/50/332366050.db2.gz SJYFHJWMEWYJFI-DYVFJYSZSA-N 0 3 295.386 2.503 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\C2CCCCC2)CC1 ZINC000491870182 332373056 /nfs/dbraw/zinc/37/30/56/332373056.db2.gz UNKHDBVOHQFLIH-HJWRWDBZSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C/C2CCCCC2)CC1 ZINC000492092172 332382438 /nfs/dbraw/zinc/38/24/38/332382438.db2.gz WTZYXPIYJIUJGW-MDZDMXLPSA-N 0 3 288.435 2.727 20 30 CFEDHN CC(C)(C)OC(=O)NC1CCN(CCCCC#N)CC1 ZINC000493880142 332457404 /nfs/dbraw/zinc/45/74/04/332457404.db2.gz JWIJKEQTYYPOPR-UHFFFAOYSA-N 0 3 281.400 2.669 20 30 CFEDHN C=C(Cl)CN[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495668781 332526667 /nfs/dbraw/zinc/52/66/67/332526667.db2.gz JSXRNEXMACDDPB-JTQLQIEISA-N 0 3 274.792 2.584 20 30 CFEDHN C=CCN1CC[C@H](N[C@@]2(c3cccc(C)c3)C[C@H]2CC)C1=O ZINC000502545433 332665249 /nfs/dbraw/zinc/66/52/49/332665249.db2.gz XQHPFQKZXLLLHU-AYBZRNKSSA-N 0 3 298.430 2.997 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N(CCC)CCN1CCCC1 ZINC000503913093 332698943 /nfs/dbraw/zinc/69/89/43/332698943.db2.gz VDUYFBVGKRVBKJ-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN Cc1cccc(C)c1OC[C@H](O)CNCC(C)(C)CC#N ZINC000568754140 334839254 /nfs/dbraw/zinc/83/92/54/334839254.db2.gz CVOWUNFNTNKBTA-OAHLLOKOSA-N 0 3 290.407 2.573 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2cc(C)ccc2C)CC1 ZINC000164737814 334886519 /nfs/dbraw/zinc/88/65/19/334886519.db2.gz AGFUMKRVIUEFLA-QGZVFWFLSA-N 0 3 288.435 2.753 20 30 CFEDHN CC#CCCCC(=O)NCc1ccc(CN(C)C)cc1 ZINC000184288968 333126452 /nfs/dbraw/zinc/12/64/52/333126452.db2.gz YNVWFRKVBCJKJC-UHFFFAOYSA-N 0 3 272.392 2.558 20 30 CFEDHN CC#CCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000185521305 333142877 /nfs/dbraw/zinc/14/28/77/333142877.db2.gz SNIZAGCSUSWONA-INIZCTEOSA-N 0 3 286.419 2.817 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000185554911 333143546 /nfs/dbraw/zinc/14/35/46/333143546.db2.gz JZSAKCOQQKEBJS-GJZGRUSLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000191131456 333215848 /nfs/dbraw/zinc/21/58/48/333215848.db2.gz KLFJPGLQFNNENZ-GOEBONIOSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@@H]1CCN(CC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000575880569 335128033 /nfs/dbraw/zinc/12/80/33/335128033.db2.gz WSLAFKQEANYKMN-WBVHZDCISA-N 0 3 299.418 2.880 20 30 CFEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cn[nH]c1 ZINC000224761234 333225429 /nfs/dbraw/zinc/22/54/29/333225429.db2.gz SZQICFHQSPHVHL-RYUDHWBXSA-N 0 3 270.336 2.724 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000575917107 335130539 /nfs/dbraw/zinc/13/05/39/335130539.db2.gz ITDUEMACBSKEPM-OWCLPIDISA-N 0 3 293.382 2.635 20 30 CFEDHN C=C(C)COCCN[C@H]1CCCc2ccc(O)cc21 ZINC000232479276 333337289 /nfs/dbraw/zinc/33/72/89/333337289.db2.gz RFNYHFYWXISEEG-INIZCTEOSA-N 0 3 261.365 2.952 20 30 CFEDHN N#C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000575969459 335136231 /nfs/dbraw/zinc/13/62/31/335136231.db2.gz KSPNUJUJGPUIMT-KRWDZBQOSA-N 0 3 297.402 2.704 20 30 CFEDHN C=CCOc1ccc(CNCCOCC(=C)C)cc1 ZINC000125789678 333573050 /nfs/dbraw/zinc/57/30/50/333573050.db2.gz WCTCWVFPMIIIBH-UHFFFAOYSA-N 0 3 261.365 2.934 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000129250258 333754120 /nfs/dbraw/zinc/75/41/20/333754120.db2.gz SGBPWPPQNVVJGT-IHRRRGAJSA-N 0 3 252.402 2.672 20 30 CFEDHN C=CCN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000076016913 334066395 /nfs/dbraw/zinc/06/63/95/334066395.db2.gz VLZOPRYFVGENIP-GFCCVEGCSA-N 0 3 254.374 2.504 20 30 CFEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCCC#N)C1 ZINC000133921567 334071329 /nfs/dbraw/zinc/07/13/29/334071329.db2.gz CRKVWYCUPGVDDM-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCCC(C)(C)C2)C1=O ZINC000547405763 334086120 /nfs/dbraw/zinc/08/61/20/334086120.db2.gz SWRXDPMDQJTCQR-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)COCCNCc1cccc(-n2cccn2)c1 ZINC000134501600 334092348 /nfs/dbraw/zinc/09/23/48/334092348.db2.gz QXKLTAXJLBGUTI-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccccc1F ZINC000134504519 334092636 /nfs/dbraw/zinc/09/26/36/334092636.db2.gz BMHRXNCBPPTPJR-UHFFFAOYSA-N 0 3 289.354 2.898 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H](SC)C1 ZINC000134584329 334095950 /nfs/dbraw/zinc/09/59/50/334095950.db2.gz QHBAITGTJFJXHD-AWEZNQCLSA-N 0 3 284.469 2.629 20 30 CFEDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCCC#N ZINC000134660792 334099540 /nfs/dbraw/zinc/09/95/40/334099540.db2.gz XDYSYWPOZBTJRO-STQMWFEESA-N 0 3 281.400 2.668 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000134964844 334109842 /nfs/dbraw/zinc/10/98/42/334109842.db2.gz WEJVQAFTLYCPIP-GDBMZVCRSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(C)N(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000547767796 334115775 /nfs/dbraw/zinc/11/57/75/334115775.db2.gz KAPZZQJAFIDERH-KRWDZBQOSA-N 0 3 295.386 2.888 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000135341355 334126778 /nfs/dbraw/zinc/12/67/78/334126778.db2.gz MSUGRURKHQHIEN-QRTARXTBSA-N 0 3 291.439 2.695 20 30 CFEDHN COC(=O)c1ccccc1CCN1CCC(CC#N)CC1 ZINC000548486385 334159798 /nfs/dbraw/zinc/15/97/98/334159798.db2.gz VQHIDCBTTMDZSC-UHFFFAOYSA-N 0 3 286.375 2.641 20 30 CFEDHN COC(C)(C)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548865267 334177447 /nfs/dbraw/zinc/17/74/47/334177447.db2.gz RXCVRMKULKYJEP-UHFFFAOYSA-N 0 3 287.407 2.754 20 30 CFEDHN CC1(C)[C@@H](O)C[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000554576094 334440319 /nfs/dbraw/zinc/44/03/19/334440319.db2.gz PXNBUMUNBRIWPO-KBPBESRZSA-N 0 3 297.320 2.806 20 30 CFEDHN C[C@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CC1 ZINC000555709280 334487712 /nfs/dbraw/zinc/48/77/12/334487712.db2.gz MWCMXVCLONAZBX-GFCCVEGCSA-N 0 3 268.364 2.777 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Br)cn1 ZINC000564783669 334520666 /nfs/dbraw/zinc/52/06/66/334520666.db2.gz RNVHRRMSIGYYJP-WDEREUQCSA-N 0 3 299.212 2.679 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CC[C@H]2CCCCO2)CC1 ZINC000565256864 334548452 /nfs/dbraw/zinc/54/84/52/334548452.db2.gz FDRHICOUWTUFOZ-MRXNPFEDSA-N 0 3 299.418 2.898 20 30 CFEDHN CCN(C)c1ccc(CN2CCC(CC#N)CC2)cn1 ZINC000565809518 334598809 /nfs/dbraw/zinc/59/88/09/334598809.db2.gz NMDCHVOWRKAEJN-UHFFFAOYSA-N 0 3 272.396 2.663 20 30 CFEDHN CN(C)CCSCC#Cc1ccccc1Cl ZINC000157840444 334785593 /nfs/dbraw/zinc/78/55/93/334785593.db2.gz AVEWIQZCXSATBC-UHFFFAOYSA-N 0 3 253.798 2.986 20 30 CFEDHN CC[C@H](CC#N)NCCCOc1ccc(F)cc1 ZINC000568181182 334801132 /nfs/dbraw/zinc/80/11/32/334801132.db2.gz MWCLRJHPUXIQIZ-CYBMUJFWSA-N 0 3 250.317 2.876 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568239255 334807451 /nfs/dbraw/zinc/80/74/51/334807451.db2.gz JXDSZVMAVSWMSC-FMKPAKJESA-N 0 3 288.347 2.905 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000577106964 335300335 /nfs/dbraw/zinc/30/03/35/335300335.db2.gz ZIRVEGSGQLMIJL-HNNXBMFYSA-N 0 3 291.439 2.815 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1c(C)nsc1C ZINC000577506169 335361378 /nfs/dbraw/zinc/36/13/78/335361378.db2.gz WWFBZCHSZROOGW-UHFFFAOYSA-N 0 3 267.442 2.700 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC(C(C)C)C(C)C)C1=O ZINC000577541247 335366681 /nfs/dbraw/zinc/36/66/81/335366681.db2.gz RNNQVJBOQQWCLB-HNNXBMFYSA-N 0 3 266.429 2.633 20 30 CFEDHN C=CCN(CCCC(=O)NC)Cc1ccc(Cl)s1 ZINC000577646512 335385374 /nfs/dbraw/zinc/38/53/74/335385374.db2.gz MUTWLWKKXKUTDI-UHFFFAOYSA-N 0 3 286.828 2.916 20 30 CFEDHN C[C@H](CCc1ccc2c(c1)OCO2)NC[C@H](C#N)CCC#N ZINC000577741614 335395069 /nfs/dbraw/zinc/39/50/69/335395069.db2.gz RXGXJNVDZNKVLQ-HIFRSBDPSA-N 0 3 299.374 2.770 20 30 CFEDHN Cc1cccc2oc(CCN[C@@H]3CC[C@H](C#N)C3)nc21 ZINC000577818798 335404998 /nfs/dbraw/zinc/40/49/98/335404998.db2.gz DIZFYSSZQZTUON-QWHCGFSZSA-N 0 3 269.348 2.961 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCC2CC2)CC1 ZINC000577923619 335421005 /nfs/dbraw/zinc/42/10/05/335421005.db2.gz OXFULMXPZGASPJ-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN Cc1cccc(C(C)(C)NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000179585109 335502416 /nfs/dbraw/zinc/50/24/16/335502416.db2.gz QGKBDAIXUAEMST-GOSISDBHSA-N 0 3 299.418 2.628 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000180420951 335581526 /nfs/dbraw/zinc/58/15/26/335581526.db2.gz PZMJGVFQMNSRPI-CYBMUJFWSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCOc1ccc(CNCCc2nnc(C)s2)cc1 ZINC000352452392 335628244 /nfs/dbraw/zinc/62/82/44/335628244.db2.gz FQEBJIWJJFNKMT-UHFFFAOYSA-N 0 3 289.404 2.744 20 30 CFEDHN CC(C)(CCC#N)CNCc1ccc2c(n1)CCC2 ZINC000579207557 335721285 /nfs/dbraw/zinc/72/12/85/335721285.db2.gz DDTIZSXTXWXLBX-UHFFFAOYSA-N 0 3 257.381 2.990 20 30 CFEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CO[C@@H](C)C2)cc1 ZINC000579472360 335767103 /nfs/dbraw/zinc/76/71/03/335767103.db2.gz PQXIPUIEFMBYNW-NOLJZWGESA-N 0 3 274.364 2.807 20 30 CFEDHN CC[C@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000182264070 335806890 /nfs/dbraw/zinc/80/68/90/335806890.db2.gz MIUVJDRXXCNNCL-JKSUJKDBSA-N 0 3 261.340 2.724 20 30 CFEDHN C#C[C@@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000382902886 336098520 /nfs/dbraw/zinc/09/85/20/336098520.db2.gz FUBTZJJVKIGIDC-ZIAGYGMSSA-N 0 3 285.309 2.986 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085565954 782099740 /nfs/dbraw/zinc/09/97/40/782099740.db2.gz WLIJRWPPVPFECR-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCC(=C)C)cc1 ZINC001085757341 782153773 /nfs/dbraw/zinc/15/37/73/782153773.db2.gz FVVBDSCXXINJMF-SFHVURJKSA-N 0 3 296.414 2.780 20 30 CFEDHN COc1cc(CN[C@@H](C)C2(OC)CCC2)ccc1C#N ZINC000414527388 533890316 /nfs/dbraw/zinc/89/03/16/533890316.db2.gz QXYBGFYOUDIOLE-LBPRGKRZSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085779865 782160258 /nfs/dbraw/zinc/16/02/58/782160258.db2.gz FCCKHLBFMXSAJA-CQSZACIVSA-N 0 3 289.423 2.861 20 30 CFEDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)NCC1CCCCC1 ZINC000330271052 534187197 /nfs/dbraw/zinc/18/71/97/534187197.db2.gz VHYJQCUFLHMXEK-SWLSCSKDSA-N 0 3 268.401 2.680 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000336002169 534284266 /nfs/dbraw/zinc/28/42/66/534284266.db2.gz VSFRZIWZNOVITP-HTQZYQBOSA-N 0 3 254.692 2.816 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352224929 534284719 /nfs/dbraw/zinc/28/47/19/534284719.db2.gz FYSWGENHAHQYFG-TZMCWYRMSA-N 0 3 255.321 2.697 20 30 CFEDHN CC(C)(C)n1cc(CNCCc2cccc(C#N)c2)cn1 ZINC000341483114 519159137 /nfs/dbraw/zinc/15/91/37/519159137.db2.gz KDTJIZUYMWTXKV-UHFFFAOYSA-N 0 3 282.391 2.842 20 30 CFEDHN CC(C)CN(CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC000340904600 519709966 /nfs/dbraw/zinc/70/99/66/519709966.db2.gz UJOQZAHBSTZEOY-UHFFFAOYSA-N 0 3 287.407 2.541 20 30 CFEDHN Cc1noc([C@@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1 ZINC000332240801 534447686 /nfs/dbraw/zinc/44/76/86/534447686.db2.gz ADBMOLNVQSLQKG-MRXNPFEDSA-N 0 3 296.374 2.824 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000071936979 519775565 /nfs/dbraw/zinc/77/55/65/519775565.db2.gz XRFCSCQZZHXLOC-HNNXBMFYSA-N 0 3 288.395 2.656 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000174509374 520368172 /nfs/dbraw/zinc/36/81/72/520368172.db2.gz VIILMRYSZUDBHL-ZIAGYGMSSA-N 0 3 260.337 2.589 20 30 CFEDHN CCN1CC[C@H](N(C)C(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000336355212 521718829 /nfs/dbraw/zinc/71/88/29/521718829.db2.gz RSBAJAMNWYQXBN-NEPJUHHUSA-N 0 3 291.420 2.565 20 30 CFEDHN Cc1cccc(C(=O)C(C#N)c2ccncn2)c1C ZINC000354464682 534628382 /nfs/dbraw/zinc/62/83/82/534628382.db2.gz KITSLDAGTVNPGW-CYBMUJFWSA-N 0 3 251.289 2.584 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192034221 523009251 /nfs/dbraw/zinc/00/92/51/523009251.db2.gz MSLMUEUGRUPKBR-JKSUJKDBSA-N 0 3 276.355 2.823 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCC[C@@H]1O ZINC000305807533 523519136 /nfs/dbraw/zinc/51/91/36/523519136.db2.gz KMYZHDBBFIUYFC-HOCLYGCPSA-N 0 3 288.391 2.550 20 30 CFEDHN CO[C@@H](CNCc1cc(C#N)n(C)c1)c1ccc(F)cc1 ZINC000191254802 523535343 /nfs/dbraw/zinc/53/53/43/523535343.db2.gz TWMXVFHFWVMEDV-INIZCTEOSA-N 0 3 287.338 2.513 20 30 CFEDHN COCCN(CCc1ccccn1)Cc1ccc(C#N)cc1 ZINC000063754571 523729273 /nfs/dbraw/zinc/72/92/73/523729273.db2.gz SGEABPUEBGIGAM-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN CN1CC[C@H](CNc2ccnc(C#N)c2)[C@H]1c1cccs1 ZINC000367731748 523979134 /nfs/dbraw/zinc/97/91/34/523979134.db2.gz XYOOTFOLPWVEIH-WBMJQRKESA-N 0 3 298.415 2.542 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000300626399 524020037 /nfs/dbraw/zinc/02/00/37/524020037.db2.gz GJZANJGSEWSBAW-KBPBESRZSA-N 0 3 262.328 2.600 20 30 CFEDHN CC(C(=O)N(C)c1ccc(C#N)cc1)C(F)(F)F ZINC000336166413 524089249 /nfs/dbraw/zinc/08/92/49/524089249.db2.gz HMRZRDIFFNIIBD-QMMMGPOBSA-N 0 3 256.227 2.719 20 30 CFEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCC1 ZINC000061457784 524277866 /nfs/dbraw/zinc/27/78/66/524277866.db2.gz GJPZQMXGOSVSTD-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN Cc1cc(CN2CCC(C(N)=O)CC2)ccc1C#N ZINC000334999344 524675558 /nfs/dbraw/zinc/67/55/58/524675558.db2.gz DXBJFUDWNISQGC-UHFFFAOYSA-N 0 3 257.337 2.614 20 30 CFEDHN Cc1cc(CN2CCCC[C@H]2[C@H](C)O)ccc1C#N ZINC000336302977 524679709 /nfs/dbraw/zinc/67/97/09/524679709.db2.gz QKBROONKDLMKDX-BBRMVZONSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1cc(CN2CC[C@H](O)CC23CCC3)ccc1C#N ZINC000334969450 524705818 /nfs/dbraw/zinc/70/58/18/524705818.db2.gz UBGYKJGUIIVUQP-INIZCTEOSA-N 0 3 270.376 2.746 20 30 CFEDHN Cc1cc(CN2CC[C@H](n3cccn3)C2)ccc1C#N ZINC000334839142 524710561 /nfs/dbraw/zinc/71/05/61/524710561.db2.gz LBTQHXIEYKXBCQ-INIZCTEOSA-N 0 3 266.348 2.510 20 30 CFEDHN C[C@@H]1CSC[C@H]1NCc1cc(C#N)ccc1F ZINC000336472132 525178091 /nfs/dbraw/zinc/17/80/91/525178091.db2.gz NNRNXCXJEUDAFK-NOZJJQNGSA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCOC1 ZINC000162838200 525518035 /nfs/dbraw/zinc/51/80/35/525518035.db2.gz ZNUDCHZRHOGDQW-MFKMUULPSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1cccc(C#N)c1 ZINC000224769239 525573339 /nfs/dbraw/zinc/57/33/39/525573339.db2.gz VVRIWGBHAVKQTR-IUIKQTSFSA-N 0 3 256.349 2.776 20 30 CFEDHN Cc1c([C@@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cnn1C ZINC000334980604 525903926 /nfs/dbraw/zinc/90/39/26/525903926.db2.gz AXPMODSEHRMFCQ-PIGZYNQJSA-N 0 3 280.375 2.938 20 30 CFEDHN CC#CCCCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344746285 526292711 /nfs/dbraw/zinc/29/27/11/526292711.db2.gz YWKLNZCWNASNQM-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN N#Cc1cnccc1NC1CCN(Cc2ccsc2)CC1 ZINC000364902658 526536325 /nfs/dbraw/zinc/53/63/25/526536325.db2.gz AUWRUQGXHRQHJH-UHFFFAOYSA-N 0 3 298.415 2.513 20 30 CFEDHN C=C(C)CN(CCCCOC)Cc1ccc(CO)o1 ZINC000352797802 526550443 /nfs/dbraw/zinc/55/04/43/526550443.db2.gz CJAUPHXXZVOEJQ-UHFFFAOYSA-N 0 3 267.369 2.577 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCCC(F)(F)F)CC1 ZINC000356019069 526581661 /nfs/dbraw/zinc/58/16/61/526581661.db2.gz DZULYPMLFGDTPO-UHFFFAOYSA-N 0 3 292.345 2.876 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000107597082 526600412 /nfs/dbraw/zinc/60/04/12/526600412.db2.gz ALGXGGXIRRCSOK-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2sccc2OC)CC1 ZINC000106035154 526601830 /nfs/dbraw/zinc/60/18/30/526601830.db2.gz ITLSAWCLFDEYRP-UHFFFAOYSA-N 0 3 294.420 2.527 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353262753 526656528 /nfs/dbraw/zinc/65/65/28/526656528.db2.gz IVFUICBNRYKLRO-MRXNPFEDSA-N 0 3 256.349 2.728 20 30 CFEDHN C=C(C)COc1cc(CNC[C@H](O)CCC)ccc1OC ZINC000112377476 526660602 /nfs/dbraw/zinc/66/06/02/526660602.db2.gz NIZVTGNRYRIHMG-OAHLLOKOSA-N 0 3 293.407 2.901 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000361635204 526704333 /nfs/dbraw/zinc/70/43/33/526704333.db2.gz AJZNEEZNIQKDQS-MRXNPFEDSA-N 0 3 278.359 2.728 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000334978046 526736033 /nfs/dbraw/zinc/73/60/33/526736033.db2.gz XXJJSUDCOACIFA-DLBZAZTESA-N 0 3 270.376 2.807 20 30 CFEDHN N#Cc1ccccc1OCCN1CCCO[C@@H]2CCC[C@H]21 ZINC000363697395 526747732 /nfs/dbraw/zinc/74/77/32/526747732.db2.gz YKDFIMCWGHUWHV-NVXWUHKLSA-N 0 3 286.375 2.580 20 30 CFEDHN C=C(CC)CN[C@H](c1nnc2ccccn21)C(C)C ZINC000347686485 526861950 /nfs/dbraw/zinc/86/19/50/526861950.db2.gz SDWWICRYBFAJGF-AWEZNQCLSA-N 0 3 258.369 2.982 20 30 CFEDHN C=C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000334753900 526900146 /nfs/dbraw/zinc/90/01/46/526900146.db2.gz DAIPJIHBPWCISF-UHFFFAOYSA-N 0 3 258.365 2.540 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](C(=O)OC)[C@H]2C)c1 ZINC000347271983 526901905 /nfs/dbraw/zinc/90/19/05/526901905.db2.gz CLJUIUJIDPSIKL-CJNGLKHVSA-N 0 3 289.375 2.635 20 30 CFEDHN C=CCOc1cccc(CN[C@@]2(C)CCO[C@H]2C)c1 ZINC000344388108 526903806 /nfs/dbraw/zinc/90/38/06/526903806.db2.gz GLVLDZHQTAALET-BBRMVZONSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344717487 526988224 /nfs/dbraw/zinc/98/82/24/526988224.db2.gz AOMLWXKSIAXCHF-CQSZACIVSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000351965971 526993099 /nfs/dbraw/zinc/99/30/99/526993099.db2.gz WWYNJAHHFRCDJK-ZDUSSCGKSA-N 0 3 266.429 2.825 20 30 CFEDHN Cc1nc(SCCN(C)C)c(Cl)cc1C#N ZINC000309196875 527020746 /nfs/dbraw/zinc/02/07/46/527020746.db2.gz APFJDVOOQSFTDT-UHFFFAOYSA-N 0 3 255.774 2.569 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000347624643 527156526 /nfs/dbraw/zinc/15/65/26/527156526.db2.gz NOESBGVUKFYCQM-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN Cn1cc(CN2CCC(c3ccccn3)CC2)cc1C#N ZINC000364854746 527196576 /nfs/dbraw/zinc/19/65/76/527196576.db2.gz HQICMAKBCOKLLK-UHFFFAOYSA-N 0 3 280.375 2.671 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(Br)c1F ZINC000294665637 527208876 /nfs/dbraw/zinc/20/88/76/527208876.db2.gz AAOKMYCFIIMDSJ-SNVBAGLBSA-N 0 3 288.160 2.615 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000417983240 527289743 /nfs/dbraw/zinc/28/97/43/527289743.db2.gz NVZOKTHXLJVIQO-ZFWWWQNUSA-N 0 3 275.396 2.730 20 30 CFEDHN C=CCC[C@@H](NCCN1CCOC[C@H]1C)c1ccco1 ZINC000353497523 527447587 /nfs/dbraw/zinc/44/75/87/527447587.db2.gz OYQZJNPZFMZGKL-HUUCEWRRSA-N 0 3 278.396 2.597 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000347161714 527467441 /nfs/dbraw/zinc/46/74/41/527467441.db2.gz RUVYDRVAMGUZPA-WDEREUQCSA-N 0 3 278.318 2.561 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000353574017 527594108 /nfs/dbraw/zinc/59/41/08/527594108.db2.gz IYCCEPRHXHCMEE-GXTWGEPZSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344718070 527608235 /nfs/dbraw/zinc/60/82/35/527608235.db2.gz DHWKZCORNVECJN-RHSMWYFYSA-N 0 3 278.440 2.922 20 30 CFEDHN CC1(C)C[C@H](NCc2ccccc2C#N)C(C)(C)O1 ZINC000155160985 527744022 /nfs/dbraw/zinc/74/40/22/527744022.db2.gz HWBDNBLFUYDXAB-AWEZNQCLSA-N 0 3 258.365 2.994 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000452102768 536525901 /nfs/dbraw/zinc/52/59/01/536525901.db2.gz LFLUJHQSPNUROM-ZDUSSCGKSA-N 0 3 276.355 2.946 20 30 CFEDHN CC1=C[C@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000334863548 528139010 /nfs/dbraw/zinc/13/90/10/528139010.db2.gz LSFBSBHAYSHRPO-SUMWQHHRSA-N 0 3 293.370 2.665 20 30 CFEDHN CCN(CC)CCSc1ncc(C#N)cc1F ZINC000413176021 528165983 /nfs/dbraw/zinc/16/59/83/528165983.db2.gz VNUVBTYOYSQZFV-UHFFFAOYSA-N 0 3 253.346 2.526 20 30 CFEDHN CC1CCC(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330196228 528174241 /nfs/dbraw/zinc/17/42/41/528174241.db2.gz PXTNEFIBRDEJSI-RUXDESIVSA-N 0 3 290.411 2.528 20 30 CFEDHN CC(C)Oc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000347068941 528207275 /nfs/dbraw/zinc/20/72/75/528207275.db2.gz MNMMBUUFWCNXTG-NEPJUHHUSA-N 0 3 260.337 2.811 20 30 CFEDHN CCCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347076706 528724145 /nfs/dbraw/zinc/72/41/45/528724145.db2.gz ULCKJTKMCHJLLY-NEPJUHHUSA-N 0 3 290.363 2.821 20 30 CFEDHN CC1(C#N)CCC(N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000336219789 528832786 /nfs/dbraw/zinc/83/27/86/528832786.db2.gz VIOVDTQKBRGPMJ-BFHRDPOASA-N 0 3 297.402 2.854 20 30 CFEDHN CC[C@H](C)[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347030321 529217423 /nfs/dbraw/zinc/21/74/23/529217423.db2.gz BZDFEIBXMVYABJ-MISXGVKJSA-N 0 3 284.363 2.926 20 30 CFEDHN CC[C@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000347627215 529243588 /nfs/dbraw/zinc/24/35/88/529243588.db2.gz TXTDXJISRDSBNV-GJZGRUSLSA-N 0 3 256.349 2.770 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1cccc(C#N)c1F ZINC000452019534 535755642 /nfs/dbraw/zinc/75/56/42/535755642.db2.gz SHEKXLTWSNGFFD-ZIAGYGMSSA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@@H](NC[C@H](O)COCC(C)C)c1ccc(C#N)cc1 ZINC000447540113 535804918 /nfs/dbraw/zinc/80/49/18/535804918.db2.gz ITZIPVHFNDMOJR-DLBZAZTESA-N 0 3 290.407 2.632 20 30 CFEDHN COc1cccc(C[C@@H](C)NCc2ccc(C#N)c(F)c2)n1 ZINC000449737859 537114205 /nfs/dbraw/zinc/11/42/05/537114205.db2.gz VEWNKONPSCDUBH-GFCCVEGCSA-N 0 3 299.349 2.822 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804486 782169520 /nfs/dbraw/zinc/16/95/20/782169520.db2.gz KTBZCNFRSMPVLT-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@H]1CC(N=Nc2cccc(C#N)c2)CN1C1CC1 ZINC000753954941 574059060 /nfs/dbraw/zinc/05/90/60/574059060.db2.gz JQOWBJQCLSCFOC-NSHDSACASA-N 0 3 254.337 2.583 20 30 CFEDHN C#CCOCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000753769872 574075365 /nfs/dbraw/zinc/07/53/65/574075365.db2.gz RIORMIVXJJXCSQ-OAHLLOKOSA-N 0 3 271.360 2.672 20 30 CFEDHN C[C@H](NCc1ccnc(N(C)C)c1)c1ccc(C#N)cc1 ZINC000754132236 574076379 /nfs/dbraw/zinc/07/63/79/574076379.db2.gz AJZKVFSXEPWXFW-ZDUSSCGKSA-N 0 3 280.375 2.870 20 30 CFEDHN CC1(CN[C@H]2CCCc3cc(C#N)ccc32)OCCCO1 ZINC000754128196 574076659 /nfs/dbraw/zinc/07/66/59/574076659.db2.gz VWXXHDUMDCQPLW-INIZCTEOSA-N 0 3 286.375 2.678 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(Cl)nc2)[C@@H](C)C1 ZINC000754256685 574084334 /nfs/dbraw/zinc/08/43/34/574084334.db2.gz DEJPIBBOLOKAJV-JTQLQIEISA-N 0 3 266.776 2.863 20 30 CFEDHN CC(C)N1CC(N=Nc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000754258066 574084656 /nfs/dbraw/zinc/08/46/56/574084656.db2.gz GXCKVPLGJXQQAK-LBPRGKRZSA-N 0 3 299.378 2.865 20 30 CFEDHN COC(=O)C[C@H](NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000754521500 574100118 /nfs/dbraw/zinc/10/01/18/574100118.db2.gz KXOWPMFEGWPZNQ-HNNXBMFYSA-N 0 3 291.778 2.623 20 30 CFEDHN COC(=O)C[C@@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000754517432 574100212 /nfs/dbraw/zinc/10/02/12/574100212.db2.gz CYZXZBCMLSETCK-OAHLLOKOSA-N 0 3 291.778 2.623 20 30 CFEDHN COC(=O)C[C@@H](NCC#Cc1ccccc1Cl)C1CC1 ZINC000754523185 574100627 /nfs/dbraw/zinc/10/06/27/574100627.db2.gz OGMIAKBEHUJVMU-OAHLLOKOSA-N 0 3 291.778 2.623 20 30 CFEDHN C#CCOc1ccc(NC(=O)[C@@H]2CCCN2CCC)cc1 ZINC000731012070 574106923 /nfs/dbraw/zinc/10/69/23/574106923.db2.gz DGNQCHYSBVSKKJ-INIZCTEOSA-N 0 3 286.375 2.512 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000731135509 574110827 /nfs/dbraw/zinc/11/08/27/574110827.db2.gz AVWCYVDZPREQCQ-HOCLYGCPSA-N 0 3 296.370 2.508 20 30 CFEDHN C#CCCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000745738602 574124685 /nfs/dbraw/zinc/12/46/85/574124685.db2.gz VUMRPYHTHRTGLA-DOTOQJQBSA-N 0 3 299.418 2.535 20 30 CFEDHN C[C@@H]1CC(=NNCc2cccc(Cl)c2)CCN1C ZINC000756827594 574131980 /nfs/dbraw/zinc/13/19/80/574131980.db2.gz PWLOCTITAJNQDZ-LLVKDONJSA-N 0 3 265.788 2.900 20 30 CFEDHN CCCCCCN(C)CC(=O)N(CC#N)C1CCCC1 ZINC000737923696 574135625 /nfs/dbraw/zinc/13/56/25/574135625.db2.gz UETBWNMLBCNMGW-UHFFFAOYSA-N 0 3 279.428 2.793 20 30 CFEDHN C[C@H]1OCC[C@@]1(C)NCc1cc(Cl)ccc1OCC#N ZINC000755171267 574144206 /nfs/dbraw/zinc/14/42/06/574144206.db2.gz ZLIDCDCPONTWFO-IAQYHMDHSA-N 0 3 294.782 2.899 20 30 CFEDHN C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](OC)C2)c1[O-] ZINC000751942740 574146540 /nfs/dbraw/zinc/14/65/40/574146540.db2.gz FALXSJHAOGUIHF-OAHLLOKOSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](OC)C2)c1[O-] ZINC000751942740 574146542 /nfs/dbraw/zinc/14/65/42/574146542.db2.gz FALXSJHAOGUIHF-OAHLLOKOSA-N 0 3 291.391 2.740 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1cccc2ncccc12 ZINC000752163866 574160359 /nfs/dbraw/zinc/16/03/59/574160359.db2.gz FKDQCIHZKXUVIO-LLVKDONJSA-N 0 3 254.337 2.584 20 30 CFEDHN C=CCNC(=S)Nc1cnccc1N1CCCCC1 ZINC000733087115 574188275 /nfs/dbraw/zinc/18/82/75/574188275.db2.gz OHTWKPOLDQYALP-UHFFFAOYSA-N 0 3 276.409 2.544 20 30 CFEDHN CCC/C=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000729348297 574201865 /nfs/dbraw/zinc/20/18/65/574201865.db2.gz WMJYYHVGAZWDFK-UXBLZVDNSA-N 0 3 299.418 2.805 20 30 CFEDHN Cc1ccc(N2CCN(C(=O)C(C)C#N)[C@H](C)C2)cc1C ZINC000747923574 574220164 /nfs/dbraw/zinc/22/01/64/574220164.db2.gz ACBGWLUCXURFKL-HUUCEWRRSA-N 0 3 285.391 2.500 20 30 CFEDHN C#CCCOc1ccc(CNCCOC(C)(C)C)cc1 ZINC000733326313 574221831 /nfs/dbraw/zinc/22/18/31/574221831.db2.gz WLBPNAIXYNYRTD-UHFFFAOYSA-N 0 3 275.392 2.993 20 30 CFEDHN N#CCOc1ccc(CNCc2ccc3[nH]cnc3c2)cc1 ZINC000729685337 574228502 /nfs/dbraw/zinc/22/85/02/574228502.db2.gz JSNXVKZZXRJOSP-UHFFFAOYSA-N 0 3 292.342 2.755 20 30 CFEDHN N#CCOc1ccc(CNCc2ccc3nc[nH]c3c2)cc1 ZINC000729685337 574228504 /nfs/dbraw/zinc/22/85/04/574228504.db2.gz JSNXVKZZXRJOSP-UHFFFAOYSA-N 0 3 292.342 2.755 20 30 CFEDHN CN(C)c1ccccc1CNCc1ccc(OCC#N)cc1 ZINC000729685267 574228815 /nfs/dbraw/zinc/22/88/15/574228815.db2.gz BLQHLNVFINOJQW-UHFFFAOYSA-N 0 3 295.386 2.945 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C(\C)CCC)CC1 ZINC000729976900 574240698 /nfs/dbraw/zinc/24/06/98/574240698.db2.gz BWDGIMYYWSWAIX-SDNWHVSQSA-N 0 3 264.413 2.890 20 30 CFEDHN C=CCN(C(=O)NC1CCN(CC(=C)C)CC1)C(C)C ZINC000730066015 574250855 /nfs/dbraw/zinc/25/08/55/574250855.db2.gz BFQSKPLPESMJJM-UHFFFAOYSA-N 0 3 279.428 2.633 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCCCC)CC1 ZINC000730111790 574254175 /nfs/dbraw/zinc/25/41/75/574254175.db2.gz OAPACDYTKNGOCQ-AWEZNQCLSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCN(C(=O)[C@H](C)N1CCCCCC1)C(C)C ZINC000733916296 574261449 /nfs/dbraw/zinc/26/14/49/574261449.db2.gz FAMUZXSINOWIKY-AWEZNQCLSA-N 0 3 252.402 2.674 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2sccc2CC)CC1 ZINC000740737366 574264847 /nfs/dbraw/zinc/26/48/47/574264847.db2.gz LYABYLVHYOHJPX-UHFFFAOYSA-N 0 3 290.432 2.528 20 30 CFEDHN CC(C)CC(=NNC(=N)N)c1ccc(Cl)cc1 ZINC000740760021 574265812 /nfs/dbraw/zinc/26/58/12/574265812.db2.gz JATITVYTVKPHRF-UHFFFAOYSA-N 0 3 252.749 2.573 20 30 CFEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000748824566 574270328 /nfs/dbraw/zinc/27/03/28/574270328.db2.gz MGCRQQADCAMXMS-UHFFFAOYSA-N 0 3 268.401 2.894 20 30 CFEDHN C#CCNC(=O)CN(CCCC)[C@H](CC)c1ccccc1 ZINC000734149915 574274884 /nfs/dbraw/zinc/27/48/84/574274884.db2.gz LTWMEWJYGHEFAL-QGZVFWFLSA-N 0 3 286.419 2.989 20 30 CFEDHN C[C@@H]1CC(=NNC(=S)Nc2ccccc2F)CCN1C ZINC000741458824 574291097 /nfs/dbraw/zinc/29/10/97/574291097.db2.gz WPEFBLVPQJDTQZ-SNVBAGLBSA-N 0 3 294.399 2.582 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccnc3ccccc23)CCN1C ZINC000741463593 574291809 /nfs/dbraw/zinc/29/18/09/574291809.db2.gz FAWFLKTWVMTFEC-GFCCVEGCSA-N 0 3 268.364 2.539 20 30 CFEDHN CCCCCCCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000741723918 574299898 /nfs/dbraw/zinc/29/98/98/574299898.db2.gz WTPXCZBAETXXAO-KGLIPLIRSA-N 0 3 254.418 2.946 20 30 CFEDHN C#CCN(CCC(=O)NCCCC)[C@H]1CCc2ccccc21 ZINC000734835439 574305286 /nfs/dbraw/zinc/30/52/86/574305286.db2.gz VXZXHEYSIORHGH-SFHVURJKSA-N 0 3 298.430 2.916 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN[C@@H](C)CO)cc1 ZINC000749817574 574310668 /nfs/dbraw/zinc/31/06/68/574310668.db2.gz KFWQQDQAMFAWFX-AWEZNQCLSA-N 0 3 277.412 2.617 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cccc1 ZINC000735208968 574316402 /nfs/dbraw/zinc/31/64/02/574316402.db2.gz PPQCFYJVXHFDQO-HIFRSBDPSA-N 0 3 295.342 2.787 20 30 CFEDHN CN(C[C@@H]1CCCN(C)C1)c1nc2ccccc2cc1C#N ZINC000750027101 574321337 /nfs/dbraw/zinc/32/13/37/574321337.db2.gz FWDVMZIHVHIDAU-CQSZACIVSA-N 0 3 294.402 2.884 20 30 CFEDHN COc1ccc(Cl)cc1C(CC(C)C)=NNC(=N)N ZINC000735970732 574344945 /nfs/dbraw/zinc/34/49/45/574344945.db2.gz HAGBEOQCSKILJZ-UHFFFAOYSA-N 0 3 282.775 2.582 20 30 CFEDHN C=CCN(C(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000743334091 574358876 /nfs/dbraw/zinc/35/88/76/574358876.db2.gz LOZGQGOZPWUGJX-HNNXBMFYSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCc1cc(CN[C@H](C)COC)cc(OC)c1OC ZINC000743472413 574366243 /nfs/dbraw/zinc/36/62/43/574366243.db2.gz FRQQQORYXTUFTC-GFCCVEGCSA-N 0 3 279.380 2.557 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCSCCCC)CC1 ZINC000743490924 574366964 /nfs/dbraw/zinc/36/69/64/574366964.db2.gz AAYSBNKBTNLGIJ-UHFFFAOYSA-N 0 3 296.480 2.514 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCCC2CCCC2)CC1 ZINC000743490852 574366987 /nfs/dbraw/zinc/36/69/87/574366987.db2.gz WTWREOFQUPNLAX-UHFFFAOYSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000736400390 574367310 /nfs/dbraw/zinc/36/73/10/574367310.db2.gz VFRAJMIFMRRFPH-ZDUSSCGKSA-N 0 3 295.814 2.559 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCCC2)C1 ZINC000743864551 574375076 /nfs/dbraw/zinc/37/50/76/574375076.db2.gz KLXAMIIYPOYJMF-GOEBONIOSA-N 0 3 291.439 2.695 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CC1CC1 ZINC000744011230 574375882 /nfs/dbraw/zinc/37/58/82/574375882.db2.gz XOVBEIBJIZDTED-IDVQTMNDSA-N 0 3 265.316 2.716 20 30 CFEDHN N#Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)[nH]1 ZINC000752474448 574391643 /nfs/dbraw/zinc/39/16/43/574391643.db2.gz UKYPBHLNSAZMSF-ZDUSSCGKSA-N 0 3 286.294 2.925 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000752741371 574394324 /nfs/dbraw/zinc/39/43/24/574394324.db2.gz IBAFBZSZRKOOFX-LLVKDONJSA-N 0 3 260.312 2.691 20 30 CFEDHN CC[C@@H]1C[C@H](CN2CCC[C@](C)(C#N)C2)CCO1 ZINC000753585695 574405476 /nfs/dbraw/zinc/40/54/76/574405476.db2.gz AWGHJPVFMAAXQD-RBSFLKMASA-N 0 3 250.386 2.817 20 30 CFEDHN C#CCOCCN[C@@H](CC)c1ccccc1OC(F)F ZINC000753767622 574410029 /nfs/dbraw/zinc/41/00/29/574410029.db2.gz LDWDRQXNDUUQBQ-ZDUSSCGKSA-N 0 3 283.318 2.979 20 30 CFEDHN C=C(C)C[NH+]1CCC(NCc2cccc(C(=O)[O-])c2)CC1 ZINC000819706344 598203621 /nfs/dbraw/zinc/20/36/21/598203621.db2.gz YCEPYXONPLIJAM-UHFFFAOYSA-N 0 3 288.391 2.515 20 30 CFEDHN C#CCCN1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980671691 613002526 /nfs/dbraw/zinc/00/25/26/613002526.db2.gz BQDVSQVIVPASTJ-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN C[C@H](C#N)CN(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900328366 620662505 /nfs/dbraw/zinc/66/25/05/620662505.db2.gz BZPAEUKUILRZRM-GFCCVEGCSA-N 0 3 284.363 2.522 20 30 CFEDHN C#CCCCCCCn1cc([C@H](N)C(C)(C)C)nn1 ZINC000900641108 620695395 /nfs/dbraw/zinc/69/53/95/620695395.db2.gz KMEULXSCWKATNA-AWEZNQCLSA-N 0 3 262.401 2.908 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823894268 608283499 /nfs/dbraw/zinc/28/34/99/608283499.db2.gz LUWOHTJDQOFYPW-CYBMUJFWSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823894268 608283501 /nfs/dbraw/zinc/28/35/01/608283501.db2.gz LUWOHTJDQOFYPW-CYBMUJFWSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823888187 608520658 /nfs/dbraw/zinc/52/06/58/608520658.db2.gz GVDCRARZLHAIBP-NHYWBVRUSA-N 0 3 283.379 2.798 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823888187 608520659 /nfs/dbraw/zinc/52/06/59/608520659.db2.gz GVDCRARZLHAIBP-NHYWBVRUSA-N 0 3 283.379 2.798 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)CCc2ccc(C(C)C)cc2)C1 ZINC000969312145 612960672 /nfs/dbraw/zinc/96/06/72/612960672.db2.gz QMWKTGXSOYQNJN-GOSISDBHSA-N 0 3 298.430 2.566 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC000970815245 612965840 /nfs/dbraw/zinc/96/58/40/612965840.db2.gz CRPBYKABTDNMDH-WMLDXEAASA-N 0 3 284.403 2.637 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970958520 612996222 /nfs/dbraw/zinc/99/62/22/612996222.db2.gz SNKLSTYZBRPJII-HLIUYOAVSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588797 613023185 /nfs/dbraw/zinc/02/31/85/613023185.db2.gz NUZFXXJNRGPCDH-WMZOPIPTSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974569187 613038842 /nfs/dbraw/zinc/03/88/42/613038842.db2.gz GLWGYSZYCFOEQB-AWEZNQCLSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)CC1 ZINC000948542771 613179268 /nfs/dbraw/zinc/17/92/68/613179268.db2.gz UWPIHYUQPJHUCQ-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCCC2)C[C@@H]1C ZINC000947529242 613224764 /nfs/dbraw/zinc/22/47/64/613224764.db2.gz RLFWBIDEYRFSEQ-DOTOQJQBSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000945060268 613235138 /nfs/dbraw/zinc/23/51/38/613235138.db2.gz BJDANPLCBPMNCQ-RDTXWAMCSA-N 0 3 296.414 2.637 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000947959357 613235831 /nfs/dbraw/zinc/23/58/31/613235831.db2.gz XRJPRDIVQIUKEK-IUODEOHRSA-N 0 3 290.794 2.556 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)[C@H](C)C1 ZINC000943989858 613236579 /nfs/dbraw/zinc/23/65/79/613236579.db2.gz XTTHQXSMKXJNTN-CRAIPNDOSA-N 0 3 298.430 2.883 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC000981509945 613251532 /nfs/dbraw/zinc/25/15/32/613251532.db2.gz IKILXUXZSKGFQY-UHFFFAOYSA-N 0 3 282.403 2.769 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2cccs2)CC1 ZINC000980652418 613254827 /nfs/dbraw/zinc/25/48/27/613254827.db2.gz WSGZORHNEBHNIF-UHFFFAOYSA-N 0 3 278.421 2.862 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)C[C@H]1C ZINC000947970771 613265638 /nfs/dbraw/zinc/26/56/38/613265638.db2.gz BLFUXZZJGPFUDR-CVEARBPZSA-N 0 3 284.403 2.519 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC000970377643 613298585 /nfs/dbraw/zinc/29/85/85/613298585.db2.gz RKNKYTJIGYMXDL-CQSZACIVSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970500126 613300237 /nfs/dbraw/zinc/30/02/37/613300237.db2.gz AICDPBPYLMPCPJ-CYBMUJFWSA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)cc(F)c2)C1 ZINC000970474221 613302596 /nfs/dbraw/zinc/30/25/96/613302596.db2.gz WJLCRVGNSCYMCZ-ZDUSSCGKSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970066358 613303713 /nfs/dbraw/zinc/30/37/13/613303713.db2.gz IITKDGFZVVFJLS-ZDUSSCGKSA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000981226292 613309180 /nfs/dbraw/zinc/30/91/80/613309180.db2.gz CJIUYUJCIFLLIB-HZPDHXFCSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274146 613324057 /nfs/dbraw/zinc/32/40/57/613324057.db2.gz KMBQIIXEJNTKLW-YPMHNXCESA-N 0 3 295.814 2.684 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000967721212 613324661 /nfs/dbraw/zinc/32/46/61/613324661.db2.gz KWIYLRYEZLMCMR-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964838526 613325395 /nfs/dbraw/zinc/32/53/95/613325395.db2.gz QDRWWKZEWXQRII-UKRRQHHQSA-N 0 3 292.448 2.693 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274144 613326171 /nfs/dbraw/zinc/32/61/71/613326171.db2.gz KMBQIIXEJNTKLW-DGCLKSJQSA-N 0 3 295.814 2.684 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966892609 613332107 /nfs/dbraw/zinc/33/21/07/613332107.db2.gz OAGYAAOZGUHBIV-ZFWWWQNUSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967780527 613332133 /nfs/dbraw/zinc/33/21/33/613332133.db2.gz PVNYAWYWYVTOBB-HOCLYGCPSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966005253 613332190 /nfs/dbraw/zinc/33/21/90/613332190.db2.gz SQTCNGHRKLGZAA-BBRMVZONSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2cccs2)C1 ZINC000964659272 613332678 /nfs/dbraw/zinc/33/26/78/613332678.db2.gz 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/nfs/dbraw/zinc/79/29/47/613792947.db2.gz XSXUOTFSZRQWHE-HIFRSBDPSA-N 0 3 299.418 2.728 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2CC)C[C@@H]1C ZINC000947261017 613794315 /nfs/dbraw/zinc/79/43/15/613794315.db2.gz BWMIONZVTMPBFI-STQMWFEESA-N 0 3 276.380 2.611 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2csc(Cl)n2)C[C@H]1C ZINC000947894851 613799454 /nfs/dbraw/zinc/79/94/54/613799454.db2.gz CTGCQSPWIZKQJB-ZJUUUORDSA-N 0 3 299.827 2.565 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2sccc2F)[C@H](C)C1 ZINC000942036612 613801994 /nfs/dbraw/zinc/80/19/94/613801994.db2.gz HVJPIHBRROTJEC-PWSUYJOCSA-N 0 3 282.384 2.513 20 30 CFEDHN C=CCN1C[C@@H](NC(=O)Cc2ccsc2C)C(C)(C)C1 ZINC000977211156 613806759 /nfs/dbraw/zinc/80/67/59/613806759.db2.gz LVJFSYGPIRSGBO-CQSZACIVSA-N 0 3 292.448 2.612 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC(C)(C)CC1 ZINC000963153218 613837780 /nfs/dbraw/zinc/83/77/80/613837780.db2.gz IROGGSIZIAXIPF-QLPKVWCKSA-N 0 3 290.451 2.825 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000962064363 613838643 /nfs/dbraw/zinc/83/86/43/613838643.db2.gz ZZDHNWLDFLXRHM-VIBAHUMZSA-N 0 3 298.430 2.585 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC(C)C)cc1 ZINC000962533119 613842043 /nfs/dbraw/zinc/84/20/43/613842043.db2.gz QEOWBSPNCBYOME-PIIMJCKOSA-N 0 3 298.430 2.731 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C(C)(C)C ZINC000960471507 613842817 /nfs/dbraw/zinc/84/28/17/613842817.db2.gz VCAIAECTBNKMIR-QLPKVWCKSA-N 0 3 298.430 2.830 20 30 CFEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)co1 ZINC000960296783 613871031 /nfs/dbraw/zinc/87/10/31/613871031.db2.gz SGPNXPJWYCJEDR-NVXWUHKLSA-N 0 3 296.370 2.759 20 30 CFEDHN CCCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000960367410 614761168 /nfs/dbraw/zinc/76/11/68/614761168.db2.gz PNMWBYSFKXZBJT-QGZVFWFLSA-N 0 3 299.418 2.781 20 30 CFEDHN C=C1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000891476421 617627387 /nfs/dbraw/zinc/62/73/87/617627387.db2.gz QEXXNCBCQNBBDZ-INIZCTEOSA-N 0 3 287.407 2.651 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC001020482388 617672822 /nfs/dbraw/zinc/67/28/22/617672822.db2.gz FCHSXFJWMXKYKW-GHYVTOPFSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001020524524 617689845 /nfs/dbraw/zinc/68/98/45/617689845.db2.gz UMZZNRJSWXQVNL-PYJNHQTQSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001022280149 617717165 /nfs/dbraw/zinc/71/71/65/617717165.db2.gz DZVDERCPJFGECS-XQQFMLRXSA-N 0 3 282.815 2.556 20 30 CFEDHN COC(=O)CCN(Cc1csc(C#N)c1)CC(C)C ZINC000891707265 617719569 /nfs/dbraw/zinc/71/95/69/617719569.db2.gz XPJGDHHUCXGWOV-UHFFFAOYSA-N 0 3 280.393 2.641 20 30 CFEDHN CN(CCc1cncs1)Cc1cc(C#N)cs1 ZINC000933772197 617775075 /nfs/dbraw/zinc/77/50/75/617775075.db2.gz ZOLCWSPELTZAFJ-UHFFFAOYSA-N 0 3 263.391 2.751 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001022392043 617789073 /nfs/dbraw/zinc/78/90/73/617789073.db2.gz YWQMMXNXPQELEV-BETUJISGSA-N 0 3 296.773 2.737 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCCOC1 ZINC000778159402 617803348 /nfs/dbraw/zinc/80/33/48/617803348.db2.gz LGCZAVGLDZFTMN-CYBMUJFWSA-N 0 3 293.794 2.868 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@H]1COc1ccc(F)cc1 ZINC000933927791 617827203 /nfs/dbraw/zinc/82/72/03/617827203.db2.gz VJNAPZJDFIRHNR-ZFWWWQNUSA-N 0 3 292.354 2.598 20 30 CFEDHN CCN(CC)c1ccc(C=NNCCOC(C)C)c(O)c1 ZINC000778554128 617864454 /nfs/dbraw/zinc/86/44/54/617864454.db2.gz MFSMTOKIALCRCX-UHFFFAOYSA-N 0 3 293.411 2.587 20 30 CFEDHN COC(=O)C[C@H](NCc1cccc(C#N)c1F)C(C)(C)C ZINC000934030987 617872836 /nfs/dbraw/zinc/87/28/36/617872836.db2.gz KACMFBYAANDDMA-ZDUSSCGKSA-N 0 3 292.354 2.765 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001022556699 617903867 /nfs/dbraw/zinc/90/38/67/617903867.db2.gz AZGXCQNRBKHUKD-XQQFMLRXSA-N 0 3 284.831 2.802 20 30 CFEDHN C#CCN(Cc1ccccc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000804836959 617923337 /nfs/dbraw/zinc/92/33/37/617923337.db2.gz NXNIYLQKSICEQO-HZPDHXFCSA-N 0 3 284.403 2.521 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001021078691 617939952 /nfs/dbraw/zinc/93/99/52/617939952.db2.gz OWOCUBPCPNBLRO-GQFVKFBWSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001022635616 617966272 /nfs/dbraw/zinc/96/62/72/617966272.db2.gz WXQOGRPZOQGGDW-GASCZTMLSA-N 0 3 292.810 2.527 20 30 CFEDHN C[C@H](Cc1cccnc1)NCc1ccc(F)cc1C#N ZINC000934234604 617972346 /nfs/dbraw/zinc/97/23/46/617972346.db2.gz NLJSPIUWARULFO-GFCCVEGCSA-N 0 3 269.323 2.813 20 30 CFEDHN C=CC(C)(C)CC(=O)N(CCCOC)C1CCN(C)CC1 ZINC000891030567 617976612 /nfs/dbraw/zinc/97/66/12/617976612.db2.gz SWJBYACSYCMFDT-UHFFFAOYSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CC[C@@H]1CCN1C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000934460847 618039585 /nfs/dbraw/zinc/03/95/85/618039585.db2.gz KFUDWJTTZJSIDF-HIFRSBDPSA-N 0 3 272.348 2.662 20 30 CFEDHN COc1ccc(CN(CCCO)CCC(C)(C)C#N)cc1 ZINC000934504041 618058095 /nfs/dbraw/zinc/05/80/95/618058095.db2.gz ZUVGCDNRXFAUSX-UHFFFAOYSA-N 0 3 290.407 2.819 20 30 CFEDHN C[C@H]1CC(NN=C2CCCc3ccc(N)cc32)C[C@H](C)O1 ZINC000901301148 620779584 /nfs/dbraw/zinc/77/95/84/620779584.db2.gz FAVRNIXVBLHNLF-RYUDHWBXSA-N 0 3 287.407 2.855 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001021809236 618161664 /nfs/dbraw/zinc/16/16/64/618161664.db2.gz ILSCEBMXKPNABK-OKILXGFUSA-N 0 3 284.831 2.946 20 30 CFEDHN CC(C)C[C@@H]1CN(C)CCN1CC#Cc1ccccc1 ZINC000933249668 618174706 /nfs/dbraw/zinc/17/47/06/618174706.db2.gz BTIHFZULTMWJIV-GOSISDBHSA-N 0 3 270.420 2.700 20 30 CFEDHN CC(C)C[C@@H]1CN(C)CCN1CC#Cc1ccc(F)cc1 ZINC000933251236 618176051 /nfs/dbraw/zinc/17/60/51/618176051.db2.gz HWFCJFCOJGLBMV-GOSISDBHSA-N 0 3 288.410 2.839 20 30 CFEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001023299257 618179288 /nfs/dbraw/zinc/17/92/88/618179288.db2.gz AKSLDOXGQMDEJH-CQSZACIVSA-N 0 3 276.380 2.524 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001023406207 618188112 /nfs/dbraw/zinc/18/81/12/618188112.db2.gz DGIJNUZFRRSJLC-MRXNPFEDSA-N 0 3 298.430 2.885 20 30 CFEDHN C#CCC1(NCC(=O)Nc2c(C)cccc2C)CCC1 ZINC000933299093 618193332 /nfs/dbraw/zinc/19/33/32/618193332.db2.gz OTPSYCUFANOXAY-UHFFFAOYSA-N 0 3 270.376 2.778 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2C)CCC1 ZINC000933304620 618196371 /nfs/dbraw/zinc/19/63/71/618196371.db2.gz OXSSCXKZDUBIOG-CQSZACIVSA-N 0 3 270.376 2.858 20 30 CFEDHN C=CCN1CCC[C@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001023727264 618217607 /nfs/dbraw/zinc/21/76/07/618217607.db2.gz DWURQKMLKNWGMT-LLVKDONJSA-N 0 3 298.333 2.845 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001023733452 618219301 /nfs/dbraw/zinc/21/93/01/618219301.db2.gz LJOXXARFDVXGJK-QGZVFWFLSA-N 0 3 298.430 2.714 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001023767496 618223987 /nfs/dbraw/zinc/22/39/87/618223987.db2.gz HAQDMLWOKHIRKD-HNNXBMFYSA-N 0 3 290.451 2.664 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cncn2C)c([O-])c1 ZINC000290554194 618232348 /nfs/dbraw/zinc/23/23/48/618232348.db2.gz MSEFSRMVBYVIKP-RQZCQDPDSA-N 0 3 286.379 2.591 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H]1CCCc2oc(C)nc21 ZINC000926612138 618235555 /nfs/dbraw/zinc/23/55/55/618235555.db2.gz YSMJLDGNTHPKMV-AVGNSLFASA-N 0 3 262.353 2.541 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024299486 618287538 /nfs/dbraw/zinc/28/75/38/618287538.db2.gz LXEQIDONLAUVKQ-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024320575 618291643 /nfs/dbraw/zinc/29/16/43/618291643.db2.gz UHBPFLUZZFFGST-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024309068 618292500 /nfs/dbraw/zinc/29/25/00/618292500.db2.gz SNNAJTXZHGLMOT-INIZCTEOSA-N 0 3 276.424 2.561 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024382028 618303913 /nfs/dbraw/zinc/30/39/13/618303913.db2.gz HUPMYGXXXMXLDH-WCVJEAGWSA-N 0 3 276.424 2.579 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2ccccn2)OCCc2ccccc21 ZINC000892482024 618359678 /nfs/dbraw/zinc/35/96/78/618359678.db2.gz ATQZCAQCFRUSPC-KBXCAEBGSA-N 0 3 292.338 2.746 20 30 CFEDHN C=C(Br)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000162546336 618375359 /nfs/dbraw/zinc/37/53/59/618375359.db2.gz NYWURWLVWBDBAU-AXFHLTTASA-N 0 3 274.202 2.688 20 30 CFEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCF ZINC000892496107 618386281 /nfs/dbraw/zinc/38/62/81/618386281.db2.gz WBWCOEMKKJTQFG-ZDUSSCGKSA-N 0 3 290.338 2.818 20 30 CFEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000892495738 618386748 /nfs/dbraw/zinc/38/67/48/618386748.db2.gz SOUJOINWLYAZCY-CYBMUJFWSA-N 0 3 270.332 2.936 20 30 CFEDHN C[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CCN1C ZINC000235713287 618418218 /nfs/dbraw/zinc/41/82/18/618418218.db2.gz AUBADECALWRYPR-JGVFFNPUSA-N 0 3 270.789 2.563 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024771173 618466164 /nfs/dbraw/zinc/46/61/64/618466164.db2.gz DQWNKWLAQUNTEU-BRWVUGGUSA-N 0 3 290.451 2.807 20 30 CFEDHN CCOC(=O)CCN(Cc1csc(C#N)c1)C(C)C ZINC000895225383 618486011 /nfs/dbraw/zinc/48/60/11/618486011.db2.gz DJJMHIVVOSDOTG-UHFFFAOYSA-N 0 3 280.393 2.783 20 30 CFEDHN C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000320190197 618506862 /nfs/dbraw/zinc/50/68/62/618506862.db2.gz BANOOBJTNYNLCH-PWSUYJOCSA-N 0 3 253.317 2.509 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](CC#N)C2)c(O)c1OC ZINC000895314356 618528709 /nfs/dbraw/zinc/52/87/09/618528709.db2.gz TYVSYNRFEIFEHY-LBPRGKRZSA-N 0 3 290.363 2.535 20 30 CFEDHN C=C[C@H](CO)NCc1cc2ccnc(Cl)c2s1 ZINC000895340551 618539717 /nfs/dbraw/zinc/53/97/17/618539717.db2.gz WLSNTGQDMYOKOU-SECBINFHSA-N 0 3 268.769 2.586 20 30 CFEDHN C#C[C@H](NCc1cc(O)cc(Cl)c1)C1CCOCC1 ZINC000895437242 618585662 /nfs/dbraw/zinc/58/56/62/618585662.db2.gz XMCFNFJTCJROAS-HNNXBMFYSA-N 0 3 279.767 2.564 20 30 CFEDHN COCCCC1(CN2CC[C@](C)(C#N)C2)CCC1 ZINC000895451280 618593640 /nfs/dbraw/zinc/59/36/40/618593640.db2.gz VEQYYMWKAKHXTP-CQSZACIVSA-N 0 3 250.386 2.819 20 30 CFEDHN CCCCCCCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892789638 618747474 /nfs/dbraw/zinc/74/74/74/618747474.db2.gz RBPBWTCYTHBJEF-INIZCTEOSA-N 0 3 266.429 2.947 20 30 CFEDHN C[C@H](NCC#Cc1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000893190990 618874244 /nfs/dbraw/zinc/87/42/44/618874244.db2.gz HOQADJLJJHBOPJ-LPHOPBHVSA-N 0 3 279.383 2.620 20 30 CFEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930607183 618888315 /nfs/dbraw/zinc/88/83/15/618888315.db2.gz LHRJLNAPUSCZEP-UKRRQHHQSA-N 0 3 278.783 2.804 20 30 CFEDHN C[C@@]1(Br)C[C@H]1CN1CCC(C)(C#N)CC1 ZINC000893471673 619010904 /nfs/dbraw/zinc/01/09/04/619010904.db2.gz TZLRLDFEQDRXQY-CMPLNLGQSA-N 0 3 271.202 2.786 20 30 CFEDHN C=CCCCN(CC)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000893536631 619043049 /nfs/dbraw/zinc/04/30/49/619043049.db2.gz LLGFXWYLUAXENE-UONOGXRCSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000893875638 619233617 /nfs/dbraw/zinc/23/36/17/619233617.db2.gz UWDXUMBGTDZUOH-SJORKVTESA-N 0 3 299.418 2.793 20 30 CFEDHN N#CC1CCC(CNCc2nccn2C2CC2)CC1 ZINC000894245701 619280459 /nfs/dbraw/zinc/28/04/59/619280459.db2.gz DVGMLJSIWZZSEU-UHFFFAOYSA-N 0 3 258.369 2.638 20 30 CFEDHN C#CCNC(=O)CN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340735 619331270 /nfs/dbraw/zinc/33/12/70/619331270.db2.gz OTYXQPHSZFBKST-CRAIPNDOSA-N 0 3 284.403 2.517 20 30 CFEDHN CCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540702 619353873 /nfs/dbraw/zinc/35/38/73/619353873.db2.gz PMEDWYBMVDXANE-CQSZACIVSA-N 0 3 272.348 2.592 20 30 CFEDHN C=CCN(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894495662 619402740 /nfs/dbraw/zinc/40/27/40/619402740.db2.gz PRKXYWBJNWRIMQ-JTQLQIEISA-N 0 3 278.343 2.653 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(C#N)cc1C ZINC000894614823 619430207 /nfs/dbraw/zinc/43/02/07/619430207.db2.gz AOBAPHLGVDFAOR-MRXNPFEDSA-N 0 3 299.418 2.779 20 30 CFEDHN C=CC(C)(C)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000894767006 619462600 /nfs/dbraw/zinc/46/26/00/619462600.db2.gz ZBPVSTNTGAXJHG-OLZOCXBDSA-N 0 3 293.411 2.973 20 30 CFEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928434377 619473790 /nfs/dbraw/zinc/47/37/90/619473790.db2.gz CVMFDPIWWWHOPP-JSGCOSHPSA-N 0 3 290.432 2.787 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cc(O)cc(Cl)c2)C1 ZINC000895010676 619525539 /nfs/dbraw/zinc/52/55/39/619525539.db2.gz VHTQANBEBCILBZ-JOYOIKCWSA-N 0 3 250.729 2.827 20 30 CFEDHN COC(=O)c1[nH]c2ccccc2c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000895053472 619536346 /nfs/dbraw/zinc/53/63/46/619536346.db2.gz KLVFJPLYIPVWQI-NWDGAFQWSA-N 0 3 297.358 2.736 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2[C@@H]1CC ZINC000895057716 619537632 /nfs/dbraw/zinc/53/76/32/619537632.db2.gz XAPWBVHMSDLVBZ-KRWDZBQOSA-N 0 3 299.418 2.618 20 30 CFEDHN CC(C)(NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000895658415 619577307 /nfs/dbraw/zinc/57/73/07/619577307.db2.gz JPXDZVKKFSMCNT-OAHLLOKOSA-N 0 3 270.332 2.753 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc(OCC=C)cc2)CC1 ZINC000895674807 619579922 /nfs/dbraw/zinc/57/99/22/619579922.db2.gz DOBCBSJEHWOUCQ-UHFFFAOYSA-N 0 3 285.387 2.602 20 30 CFEDHN C#CCC1(O)CCN(Cc2cccn2CCC(C)C)CC1 ZINC000895675971 619580460 /nfs/dbraw/zinc/58/04/60/619580460.db2.gz XAUDXLVEKXQHDF-UHFFFAOYSA-N 0 3 288.435 2.884 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3ccccc3n2C)CC1 ZINC000895671573 619582838 /nfs/dbraw/zinc/58/28/38/619582838.db2.gz WKBRYQUWBUGBLY-UHFFFAOYSA-N 0 3 282.387 2.529 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(C(F)F)c(F)c1 ZINC000895672498 619583391 /nfs/dbraw/zinc/58/33/91/619583391.db2.gz RMBLUPQHFPUKIJ-LLVKDONJSA-N 0 3 271.282 2.891 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC000895834912 619619738 /nfs/dbraw/zinc/61/97/38/619619738.db2.gz ULBCXZKGVYIAPQ-UHFFFAOYSA-N 0 3 291.391 2.694 20 30 CFEDHN COc1ccc(N2CCC(NCC3(C#N)CCC3)CC2)cc1 ZINC000841898950 619686124 /nfs/dbraw/zinc/68/61/24/619686124.db2.gz RBESQFFPBUUVNM-UHFFFAOYSA-N 0 3 299.418 2.947 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCO[C@H](C)CC2)cc1 ZINC000896584020 619767234 /nfs/dbraw/zinc/76/72/34/619767234.db2.gz KGAHHOBTSBHPJD-KGLIPLIRSA-N 0 3 274.364 2.588 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCCC3(CCC3)O2)n1 ZINC000896917545 619887321 /nfs/dbraw/zinc/88/73/21/619887321.db2.gz CTWLUVNDORVAPT-OAHLLOKOSA-N 0 3 271.364 2.535 20 30 CFEDHN C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCS1 ZINC000896953189 619903885 /nfs/dbraw/zinc/90/38/85/619903885.db2.gz WDLGOUOJKZVZPF-BXKDBHETSA-N 0 3 281.812 2.980 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](OCC)C2)cc1OC ZINC000897071291 619925823 /nfs/dbraw/zinc/92/58/23/619925823.db2.gz PSWLQUWZXHJEID-HNNXBMFYSA-N 0 3 291.391 2.871 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnc([C@@H](C)O)s2)C1 ZINC000862440659 620114077 /nfs/dbraw/zinc/11/40/77/620114077.db2.gz JRFZMHNVHQMMAG-MNOVXSKESA-N 0 3 252.383 2.594 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2c(C)oc3ccccc32)C1 ZINC000988880269 620226403 /nfs/dbraw/zinc/22/64/03/620226403.db2.gz RCUPXVGFQKAYQC-OCCSQVGLSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000989096648 620231227 /nfs/dbraw/zinc/23/12/27/620231227.db2.gz YOHPGJCWAUMYCL-YJBOKZPZSA-N 0 3 298.430 2.565 20 30 CFEDHN C[C@H](NCc1nc(C#N)cs1)C1CCSCC1 ZINC000897629090 620264155 /nfs/dbraw/zinc/26/41/55/620264155.db2.gz FXZRZKSIRIJQTH-VIFPVBQESA-N 0 3 267.423 2.636 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H]2C[C@H]3CCC[C@H]32)c1 ZINC000897960056 620312511 /nfs/dbraw/zinc/31/25/11/620312511.db2.gz YMKFXMHIRCGHBU-RAIGVLPGSA-N 0 3 261.756 2.885 20 30 CFEDHN Cn1nc(CNCC(C)(C)CCC#N)cc1C(F)(F)F ZINC000898021954 620324822 /nfs/dbraw/zinc/32/48/22/620324822.db2.gz WXWDMDHTNXKXAL-UHFFFAOYSA-N 0 3 288.317 2.858 20 30 CFEDHN C=C1CCC(C(=O)N(CCC)[C@@H]2CCN(C)C2)CC1 ZINC000898083205 620334735 /nfs/dbraw/zinc/33/47/35/620334735.db2.gz MLQHWHFNQGTXFL-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C#CCCN1CCCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC000989615568 620383527 /nfs/dbraw/zinc/38/35/27/620383527.db2.gz HQCJDTDDIHVPET-UHFFFAOYSA-N 0 3 298.430 2.783 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H](C)c2ccccc2C)CC1 ZINC000989719639 620388098 /nfs/dbraw/zinc/38/80/98/620388098.db2.gz KGPCUDALLDYVFA-KRWDZBQOSA-N 0 3 298.430 2.656 20 30 CFEDHN CCC(=O)N[C@@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989867257 620396538 /nfs/dbraw/zinc/39/65/38/620396538.db2.gz ORJZHQTVSHTWLK-SJLPKXTDSA-N 0 3 297.402 2.581 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989928506 620403912 /nfs/dbraw/zinc/40/39/12/620403912.db2.gz IFWPVODUMBVRPI-AEFFLSMTSA-N 0 3 284.403 2.908 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000989944842 620404189 /nfs/dbraw/zinc/40/41/89/620404189.db2.gz GSWDMHDNXZKVRB-HLLBOEOZSA-N 0 3 274.408 2.642 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C=C3CCCCC3)CCC[C@@H]12 ZINC000989998586 620407355 /nfs/dbraw/zinc/40/73/55/620407355.db2.gz GIUUVEDEYYYQKU-AEFFLSMTSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CCC[C@H]12 ZINC000990134407 620409842 /nfs/dbraw/zinc/40/98/42/620409842.db2.gz KPAMQEQHOLAWOZ-IMSKVBIZSA-N 0 3 288.435 2.722 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000925328606 620409848 /nfs/dbraw/zinc/40/98/48/620409848.db2.gz KDWAJGVUXLOEFW-HOCLYGCPSA-N 0 3 299.418 2.705 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccco1 ZINC000926946583 620429299 /nfs/dbraw/zinc/42/92/99/620429299.db2.gz GBQWSZILOCDURQ-HOSILWTGSA-N 0 3 277.364 2.680 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990546506 620429955 /nfs/dbraw/zinc/42/99/55/620429955.db2.gz RLZLUCAQHRJLQY-QAPCUYQASA-N 0 3 288.435 2.559 20 30 CFEDHN C[C@@H](CCC#N)CN1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898468757 620468106 /nfs/dbraw/zinc/46/81/06/620468106.db2.gz BCQSIZABCAYLHR-RWMBFGLXSA-N 0 3 291.361 2.883 20 30 CFEDHN Cc1ccc([C@@H](C)[NH2+]CCNc2ccc(C#N)cn2)c([O-])c1 ZINC000927164286 620519599 /nfs/dbraw/zinc/51/95/99/620519599.db2.gz OQVYNXQWCYVQJC-CYBMUJFWSA-N 0 3 296.374 2.730 20 30 CFEDHN N#Cc1ccc(NCCN[C@@H]2CCCc3occc32)nc1 ZINC000927165741 620519947 /nfs/dbraw/zinc/51/99/47/620519947.db2.gz UDEPINLQLBGSKJ-CQSZACIVSA-N 0 3 282.347 2.625 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@H](c2ccccc2F)C1 ZINC000801919952 621128286 /nfs/dbraw/zinc/12/82/86/621128286.db2.gz PMUQZZJOXFGJTR-QWHCGFSZSA-N 0 3 262.328 2.544 20 30 CFEDHN CC[C@@H](NC[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000902763107 621162755 /nfs/dbraw/zinc/16/27/55/621162755.db2.gz TUNINZWXRAIXAQ-NEPJUHHUSA-N 0 3 272.270 2.522 20 30 CFEDHN C[C@H](NC[C@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902804343 621175230 /nfs/dbraw/zinc/17/52/30/621175230.db2.gz OUQLRYIALSIOIJ-GUYCJALGSA-N 0 3 281.359 2.512 20 30 CFEDHN C[C@H](NC[C@H](O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902789231 621177080 /nfs/dbraw/zinc/17/70/80/621177080.db2.gz IEXGLCDIQUTYTH-LRDDRELGSA-N 0 3 273.380 2.545 20 30 CFEDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000902818188 621181083 /nfs/dbraw/zinc/18/10/83/621181083.db2.gz KTMHTSCYTLKCRQ-UHOFOFEASA-N 0 3 285.391 2.952 20 30 CFEDHN C[C@@H](NC[C@](C)(O)c1ccsc1)c1cc(C#N)ccn1 ZINC000902817029 621186006 /nfs/dbraw/zinc/18/60/06/621186006.db2.gz UJHUIRFGYUHBME-ABAIWWIYSA-N 0 3 287.388 2.573 20 30 CFEDHN CC[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000902874902 621194440 /nfs/dbraw/zinc/19/44/40/621194440.db2.gz JJKQVYOHLCSSPN-JKSUJKDBSA-N 0 3 299.418 2.998 20 30 CFEDHN C[C@@H](N[C@@H]1CCC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902919785 621203219 /nfs/dbraw/zinc/20/32/19/621203219.db2.gz PITMSDZJEDIURA-MWLCHTKSSA-N 0 3 251.280 2.792 20 30 CFEDHN C[C@@H](NC[C@H]1CCCCS1)c1cc(C#N)ccn1 ZINC000902947828 621212031 /nfs/dbraw/zinc/21/20/31/621212031.db2.gz MLKOAADAGIVXDJ-DGCLKSJQSA-N 0 3 261.394 2.890 20 30 CFEDHN CCC(CC)(CN[C@H](C)c1cc(C#N)ccn1)C(=O)OC ZINC000902949487 621212090 /nfs/dbraw/zinc/21/20/90/621212090.db2.gz ALWFSRPCLRPUNV-GFCCVEGCSA-N 0 3 289.379 2.583 20 30 CFEDHN C#C[C@H](N[C@H](C)c1cccc(-n2ccnc2)c1)[C@@H]1CCCO1 ZINC000902958771 621214207 /nfs/dbraw/zinc/21/42/07/621214207.db2.gz SRFMRCRJYHGNOA-JLSDUUJJSA-N 0 3 295.386 2.704 20 30 CFEDHN CCc1ccc([C@@H](O)CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902986672 621217855 /nfs/dbraw/zinc/21/78/55/621217855.db2.gz FFQYHOBHIZMRAH-ACJLOTCBSA-N 0 3 295.386 2.900 20 30 CFEDHN CCCn1cc([C@H](C)NCC(C)(C)CCC#N)nn1 ZINC000902989291 621218665 /nfs/dbraw/zinc/21/86/65/621218665.db2.gz ADFVYXWIVMKUOA-LBPRGKRZSA-N 0 3 263.389 2.669 20 30 CFEDHN C[C@H](NC[C@H](CO)C1CCCCC1)c1cc(C#N)ccn1 ZINC000903001005 621225574 /nfs/dbraw/zinc/22/55/74/621225574.db2.gz OKCOZCYZPIFYMA-XJKSGUPXSA-N 0 3 287.407 2.793 20 30 CFEDHN CC[C@H](C)[C@@H](CN[C@H](C)c1cc(C#N)ccn1)OC ZINC000903005019 621227307 /nfs/dbraw/zinc/22/73/07/621227307.db2.gz MDPBVVXNZMUHMH-YWPYICTPSA-N 0 3 261.369 2.665 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cn(C)nn1 ZINC000903024454 621233965 /nfs/dbraw/zinc/23/39/65/621233965.db2.gz MQBOXKNYMHSAQQ-DZGCQCFKSA-N 0 3 270.380 2.653 20 30 CFEDHN C[C@H](NC[C@H]1CC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903094430 621258255 /nfs/dbraw/zinc/25/82/55/621258255.db2.gz NQKAMANYKVMEHW-GXTWGEPZSA-N 0 3 271.364 2.563 20 30 CFEDHN COc1cc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc([N+](=O)[O-])c1 ZINC000903193482 621280931 /nfs/dbraw/zinc/28/09/31/621280931.db2.gz XDVKRBRMOPPMIE-NTZNESFSSA-N 0 3 289.335 2.946 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(CCO)cc1)CC2 ZINC000903403915 621369731 /nfs/dbraw/zinc/36/97/31/621369731.db2.gz VURCQOBSJGCJRL-LJQANCHMSA-N 0 3 292.382 2.870 20 30 CFEDHN CCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905079693 621690803 /nfs/dbraw/zinc/69/08/03/621690803.db2.gz FEGDDNCSNKZBNH-XNFYSYIQSA-N 0 3 253.305 2.681 20 30 CFEDHN CC1(C)C[C@H](NC[C@@H](C#N)CCC#N)CCS1 ZINC000905664268 621812807 /nfs/dbraw/zinc/81/28/07/621812807.db2.gz RYPQCPYDOOXOMX-VXGBXAGGSA-N 0 3 251.399 2.694 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCOc2c(F)cccc21 ZINC000905644958 621817088 /nfs/dbraw/zinc/81/70/88/621817088.db2.gz SVZZHJSTSIASNS-BXUZGUMPSA-N 0 3 292.354 2.540 20 30 CFEDHN C=CCC1(NCc2cn(CCC(C)=O)nn2)CCCCC1 ZINC000906322734 621973918 /nfs/dbraw/zinc/97/39/18/621973918.db2.gz LGULWBWTCBTIDW-UHFFFAOYSA-N 0 3 290.411 2.626 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(CC)n3)CCC[C@@H]12 ZINC000991086856 622063431 /nfs/dbraw/zinc/06/34/31/622063431.db2.gz DHOKNZRHLQSASM-AEFFLSMTSA-N 0 3 299.418 2.557 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCN(C)C3(CCCCC3)C2)C1 ZINC000908575619 622248333 /nfs/dbraw/zinc/24/83/33/622248333.db2.gz QPAMLJMVUUJJSF-UHFFFAOYSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991331703 622522801 /nfs/dbraw/zinc/52/28/01/622522801.db2.gz NXAKMIDKJXTOMV-FRFSOERESA-N 0 3 276.424 2.722 20 30 CFEDHN CC[C@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000819944401 622579809 /nfs/dbraw/zinc/57/98/09/622579809.db2.gz MYTUIQNIOYXRLS-CZUORRHYSA-N 0 3 298.386 2.551 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccn1 ZINC000819952362 622582423 /nfs/dbraw/zinc/58/24/23/622582423.db2.gz QTFKGHBDRACMFO-NWDGAFQWSA-N 0 3 294.314 2.852 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)c(F)c1 ZINC000911931343 622591141 /nfs/dbraw/zinc/59/11/41/622591141.db2.gz VISZFNQCLJRRCQ-GFCCVEGCSA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1C ZINC000911990740 622604138 /nfs/dbraw/zinc/60/41/38/622604138.db2.gz WAYLKHUQYXYXHZ-LBPRGKRZSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1Cl ZINC000912020132 622612048 /nfs/dbraw/zinc/61/20/48/622612048.db2.gz RAXBTPNVZXHIQB-CQSZACIVSA-N 0 3 280.799 2.982 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000912077244 622626276 /nfs/dbraw/zinc/62/62/76/622626276.db2.gz GTCJHVLMDMNYRW-HOTGVXAUSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)C1CCCCCC1 ZINC000912152404 622652092 /nfs/dbraw/zinc/65/20/92/622652092.db2.gz CJQJWQGUOWCHCW-CQSZACIVSA-N 0 3 252.402 2.851 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000912239622 622664199 /nfs/dbraw/zinc/66/41/99/622664199.db2.gz XIMOIMSSPKRSIK-UKRRQHHQSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000912239620 622664298 /nfs/dbraw/zinc/66/42/98/622664298.db2.gz XIMOIMSSPKRSIK-DZGCQCFKSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000912266241 622669931 /nfs/dbraw/zinc/66/99/31/622669931.db2.gz YOBTYDYQMYENAM-ZDUSSCGKSA-N 0 3 284.762 2.779 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(F)c1F ZINC000912266038 622669968 /nfs/dbraw/zinc/66/99/68/622669968.db2.gz TUKYJOKJLNAWPY-JTQLQIEISA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000912342173 622690033 /nfs/dbraw/zinc/69/00/33/622690033.db2.gz HTQICUWHZQTXIX-HZMBPMFUSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1OCC ZINC000912343417 622690873 /nfs/dbraw/zinc/69/08/73/622690873.db2.gz NQYOVLZQNNIMLB-UKRRQHHQSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccccc1OCC ZINC000912343416 622691119 /nfs/dbraw/zinc/69/11/19/622691119.db2.gz NQYOVLZQNNIMLB-HIFRSBDPSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000912352155 622692517 /nfs/dbraw/zinc/69/25/17/622692517.db2.gz UTQSTTOFNCJEHE-ZDUSSCGKSA-N 0 3 292.379 2.716 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1OCC ZINC000912359054 622693211 /nfs/dbraw/zinc/69/32/11/622693211.db2.gz HRNYJXKNPCSCPO-GFCCVEGCSA-N 0 3 280.343 2.847 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(C)cc1C ZINC000912336957 622695142 /nfs/dbraw/zinc/69/51/42/622695142.db2.gz YNHFZYJBASNNBG-OAHLLOKOSA-N 0 3 260.381 2.603 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000912443386 622716551 /nfs/dbraw/zinc/71/65/51/622716551.db2.gz ZHAFOKIGBTVYQO-AWEZNQCLSA-N 0 3 285.347 2.964 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC=C)Cc1ccccc1 ZINC000912489753 622720370 /nfs/dbraw/zinc/72/03/70/622720370.db2.gz OVQDZTZYKGRKPR-INIZCTEOSA-N 0 3 272.392 2.885 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@H]12 ZINC000991419959 622811779 /nfs/dbraw/zinc/81/17/79/622811779.db2.gz ZGQXSCWQNRGQHG-WMLDXEAASA-N 0 3 287.407 2.544 20 30 CFEDHN CCCCCCCCOCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000834310394 625597375 /nfs/dbraw/zinc/59/73/75/625597375.db2.gz KRISLZURCKKGEH-JKSUJKDBSA-N 0 3 296.455 2.526 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](CC)CCCC ZINC000876544130 622903232 /nfs/dbraw/zinc/90/32/32/622903232.db2.gz NXSRXEOEIFSUGX-VXGBXAGGSA-N 0 3 260.809 2.789 20 30 CFEDHN C=C(C)COCCNCc1cccc([N+](=O)[O-])c1C ZINC000163854362 622925550 /nfs/dbraw/zinc/92/55/50/622925550.db2.gz KNRJEYXOFGELDF-UHFFFAOYSA-N 0 3 264.325 2.586 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12 ZINC000991503860 622950011 /nfs/dbraw/zinc/95/00/11/622950011.db2.gz OBKAWXACSMAIHX-SJLPKXTDSA-N 0 3 299.418 2.611 20 30 CFEDHN C=CCc1cc(C[N@H+](C)C[C@@H]2CCOC2)c([O-])c(OC)c1 ZINC000164460152 622956373 /nfs/dbraw/zinc/95/63/73/622956373.db2.gz XDVQWNJACQAPEO-AWEZNQCLSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(C[N@@H+](C)C[C@@H]2CCOC2)c([O-])c(OC)c1 ZINC000164460152 622956379 /nfs/dbraw/zinc/95/63/79/622956379.db2.gz XDVQWNJACQAPEO-AWEZNQCLSA-N 0 3 291.391 2.598 20 30 CFEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000170672656 623172267 /nfs/dbraw/zinc/17/22/67/623172267.db2.gz UDSFDHMTNNTFLM-INIZCTEOSA-N 0 3 298.386 2.695 20 30 CFEDHN CC(C)C#CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000823268796 623279943 /nfs/dbraw/zinc/27/99/43/623279943.db2.gz QJQFNSAIACSASW-RDJZCZTQSA-N 0 3 284.403 2.598 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccc(F)cn1 ZINC000823618193 623363632 /nfs/dbraw/zinc/36/36/32/623363632.db2.gz PKPNTEHNZNMGBY-PXAZEXFGSA-N 0 3 299.349 2.819 20 30 CFEDHN C#CCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000174122997 623390243 /nfs/dbraw/zinc/39/02/43/623390243.db2.gz OFFQWTMLIPKJIZ-KRWDZBQOSA-N 0 3 299.418 2.536 20 30 CFEDHN C#CCCCNCc1csc(-c2ccccn2)n1 ZINC000174610883 623432151 /nfs/dbraw/zinc/43/21/51/623432151.db2.gz XEUNQXQIBURKIE-UHFFFAOYSA-N 0 3 257.362 2.708 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@H]12 ZINC000991977908 623435373 /nfs/dbraw/zinc/43/53/73/623435373.db2.gz VTBABBUFSULYSG-WMZOPIPTSA-N 0 3 299.418 2.611 20 30 CFEDHN C=C(C)CNC(=S)N1CCN(CC2CCCCC2)CC1 ZINC000064125937 623445538 /nfs/dbraw/zinc/44/55/38/623445538.db2.gz KNVXHHUAGGHNOL-UHFFFAOYSA-N 0 3 295.496 2.635 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(CC=C)CC3)cc1 ZINC000992100111 623455461 /nfs/dbraw/zinc/45/54/61/623455461.db2.gz PLRBCDGTVIYARE-MJGOQNOKSA-N 0 3 294.398 2.581 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992133907 623464768 /nfs/dbraw/zinc/46/47/68/623464768.db2.gz VTDFMVTUIWVVMW-DOTOQJQBSA-N 0 3 288.391 2.891 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@@H]12 ZINC000992133781 623465068 /nfs/dbraw/zinc/46/50/68/623465068.db2.gz RJTQGGSANMPSTG-ZBFHGGJFSA-N 0 3 274.364 2.501 20 30 CFEDHN C[C@H]1C[C@@H](CNCCC#N)CCN1C(=O)OC(C)(C)C ZINC000824302435 623487322 /nfs/dbraw/zinc/48/73/22/623487322.db2.gz VNGMHLFQKWCHFO-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3csc(C)c3)CCC[C@H]12 ZINC000992314417 623515337 /nfs/dbraw/zinc/51/53/37/623515337.db2.gz IKEZWXQLHPIDLV-GOEBONIOSA-N 0 3 290.432 2.969 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929698461 623515911 /nfs/dbraw/zinc/51/59/11/623515911.db2.gz MMKOKOATFVGMOJ-CABCVRRESA-N 0 3 273.380 2.589 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCCC4)CCC[C@@H]12 ZINC000992378288 623528209 /nfs/dbraw/zinc/52/82/09/623528209.db2.gz IXLVFQFRUFIZLX-HDMKZQKVSA-N 0 3 288.435 2.866 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3(F)CCCCC3)CCC[C@@H]12 ZINC000992377843 623528434 /nfs/dbraw/zinc/52/84/34/623528434.db2.gz IRLQYAKWWZBDCV-RHSMWYFYSA-N 0 3 294.414 2.958 20 30 CFEDHN C#CCOc1ccccc1CN(CC)C[C@@H]1CCCO1 ZINC000092407630 623545370 /nfs/dbraw/zinc/54/53/70/623545370.db2.gz IHORNNLLDNVENI-INIZCTEOSA-N 0 3 273.376 2.700 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)CC(C)(C)O ZINC000824702248 623548153 /nfs/dbraw/zinc/54/81/53/623548153.db2.gz KEFZNCVFBFWYHE-GFCCVEGCSA-N 0 3 295.810 2.991 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@H]12 ZINC000992426726 623549687 /nfs/dbraw/zinc/54/96/87/623549687.db2.gz UHCWBBGTVOJTMO-NBOOPKSLSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@H]12 ZINC000992441768 623560974 /nfs/dbraw/zinc/56/09/74/623560974.db2.gz RJKZNWPZKYGGBW-AYBZRNKSSA-N 0 3 296.414 2.537 20 30 CFEDHN C#CCN(C(=O)N[C@H](C)CCC(C)C)C1CCN(C)CC1 ZINC000913849104 623617903 /nfs/dbraw/zinc/61/79/03/623617903.db2.gz ABGYBINJYFGHKO-OAHLLOKOSA-N 0 3 293.455 2.550 20 30 CFEDHN C#Cc1cccc(CNCc2ccc(N(C)CC)nc2)c1 ZINC000825227657 623654336 /nfs/dbraw/zinc/65/43/36/623654336.db2.gz WRVRQABPJQWKGR-UHFFFAOYSA-N 0 3 279.387 2.809 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(O[C@@H](C)COC)cc1 ZINC000825878589 623765060 /nfs/dbraw/zinc/76/50/60/623765060.db2.gz RYNZAWODLZHGQH-ZFWWWQNUSA-N 0 3 261.365 2.602 20 30 CFEDHN C#CCSCCNCc1ccccc1OCC=C ZINC000152939369 623794442 /nfs/dbraw/zinc/79/44/42/623794442.db2.gz WLQKCGDIPFRULH-UHFFFAOYSA-N 0 3 261.390 2.707 20 30 CFEDHN C[C@@H]1CC(N=Nc2nccc3sccc32)CN1C ZINC000761811994 623811575 /nfs/dbraw/zinc/81/15/75/623811575.db2.gz KYBPBMQJFPNBBA-SECBINFHSA-N 0 3 260.366 2.788 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988654 623831093 /nfs/dbraw/zinc/83/10/93/623831093.db2.gz DQAUSFFHYWZOFS-NVXWUHKLSA-N 0 3 284.403 2.601 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993011217 623842963 /nfs/dbraw/zinc/84/29/63/623842963.db2.gz FESRVAJPWZFWTI-HIFRSBDPSA-N 0 3 292.448 2.836 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993051456 623871592 /nfs/dbraw/zinc/87/15/92/623871592.db2.gz SEKYDBISHBSOSU-CJNGLKHVSA-N 0 3 288.391 2.502 20 30 CFEDHN N#CCC1C[NH+](Cc2ccc3ccccc3c2[O-])C1 ZINC000826987063 623919110 /nfs/dbraw/zinc/91/91/10/623919110.db2.gz ZXJUDMUIUBEMDJ-UHFFFAOYSA-N 0 3 252.317 2.891 20 30 CFEDHN C#CCOc1ccc(CN2CC(COC)(C3CCC3)C2)cc1 ZINC000827011601 623924935 /nfs/dbraw/zinc/92/49/35/623924935.db2.gz LAMWPQLTDBGHDY-UHFFFAOYSA-N 0 3 299.414 2.947 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993126724 623934450 /nfs/dbraw/zinc/93/44/50/623934450.db2.gz KXIWXOYYBYZZLS-WCQYABFASA-N 0 3 293.436 2.610 20 30 CFEDHN C#Cc1cnc(NC[C@H](c2ccco2)N(CC)CC)nc1 ZINC000827484227 624013620 /nfs/dbraw/zinc/01/36/20/624013620.db2.gz RAOSPHGEMRZFPI-CQSZACIVSA-N 0 3 284.363 2.546 20 30 CFEDHN C#C[C@H](NCc1ccc(OCC)c(F)c1)C1CCOCC1 ZINC000827559179 624031132 /nfs/dbraw/zinc/03/11/32/624031132.db2.gz CFMRTUCGUJQMKY-INIZCTEOSA-N 0 3 291.366 2.742 20 30 CFEDHN C#C[C@@H](NCc1cc2cc(OC)ccc2o1)C1CCOCC1 ZINC000827565573 624033463 /nfs/dbraw/zinc/03/34/63/624033463.db2.gz NBZIXSTXAUBJHI-QGZVFWFLSA-N 0 3 299.370 2.959 20 30 CFEDHN C#C[C@H](NCc1cnc(C2CCC2)s1)C1CCOCC1 ZINC000827566203 624034748 /nfs/dbraw/zinc/03/47/48/624034748.db2.gz TWZQBNBWWJRLRG-HNNXBMFYSA-N 0 3 290.432 2.929 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993240242 624056332 /nfs/dbraw/zinc/05/63/32/624056332.db2.gz VVNMKUXUIIQXPH-UKRRQHHQSA-N 0 3 276.380 2.747 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993309218 624077272 /nfs/dbraw/zinc/07/72/72/624077272.db2.gz YJGUIYCABTWRNY-WBVHZDCISA-N 0 3 288.435 2.869 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993309205 624077378 /nfs/dbraw/zinc/07/73/78/624077378.db2.gz YJGUIYCABTWRNY-NVXWUHKLSA-N 0 3 288.435 2.869 20 30 CFEDHN Cc1cc(C)c(C#N)c(SC[C@H]2CCCN2C)n1 ZINC000915568552 624079200 /nfs/dbraw/zinc/07/92/00/624079200.db2.gz PSBZVGMXWFPPOG-GFCCVEGCSA-N 0 3 261.394 2.756 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000827968758 624141599 /nfs/dbraw/zinc/14/15/99/624141599.db2.gz KJQVJRIHWWIPCP-FUHWJXTLSA-N 0 3 288.435 2.751 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC(=C)C)[C@@H]2C)cc1 ZINC000993663670 624156357 /nfs/dbraw/zinc/15/63/57/624156357.db2.gz CWMZFPFDDSJUNH-CRAIPNDOSA-N 0 3 296.414 2.827 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993742985 624165032 /nfs/dbraw/zinc/16/50/32/624165032.db2.gz OSFSNPUZVJIDGB-WBVHZDCISA-N 0 3 288.435 2.725 20 30 CFEDHN C#CCC[C@H](O)CNc1ccnc2ccc(CCC)cc21 ZINC000828080499 624166208 /nfs/dbraw/zinc/16/62/08/624166208.db2.gz CCYUSADGMQENLO-HNNXBMFYSA-N 0 3 282.387 2.795 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccnc2C)[C@H]1C ZINC000993773107 624167717 /nfs/dbraw/zinc/16/77/17/624167717.db2.gz IJHUWWYQTWBTJA-GDBMZVCRSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1C ZINC000993840678 624170713 /nfs/dbraw/zinc/17/07/13/624170713.db2.gz GPCLDQQAAWIDFJ-CZUORRHYSA-N 0 3 297.402 2.937 20 30 CFEDHN COc1ccccc1/C=C/C=NNCCN1CCCCC1 ZINC000915973293 624198689 /nfs/dbraw/zinc/19/86/89/624198689.db2.gz FBTKFKUHNAYQKY-CPKYQFOLSA-N 0 3 287.407 2.770 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000929940627 624256739 /nfs/dbraw/zinc/25/67/39/624256739.db2.gz HHRSOIFWNKWILG-CJNGLKHVSA-N 0 3 285.391 2.608 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC2CC=CC2)CC1 ZINC000917097604 624310371 /nfs/dbraw/zinc/31/03/71/624310371.db2.gz CKKAHQLYYLSWCG-UHFFFAOYSA-N 0 3 291.439 2.682 20 30 CFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000917153636 624321231 /nfs/dbraw/zinc/32/12/31/624321231.db2.gz XTZJNVAZFMXGDH-LBPRGKRZSA-N 0 3 299.399 2.814 20 30 CFEDHN C#CCn1ccc(CN(CC)CC23CCC(CC2)C3)n1 ZINC000829321470 624417066 /nfs/dbraw/zinc/41/70/66/624417066.db2.gz CFGVEOQCCUZCDN-UHFFFAOYSA-N 0 3 271.408 2.919 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000829778836 624533212 /nfs/dbraw/zinc/53/32/12/624533212.db2.gz IGROCOPFISMTCL-CYBMUJFWSA-N 0 3 275.348 2.610 20 30 CFEDHN C#CC[C@@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000829779556 624534392 /nfs/dbraw/zinc/53/43/92/624534392.db2.gz WSEHEFMVXGPYPX-DOMZBBRYSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000829794089 624540764 /nfs/dbraw/zinc/54/07/64/624540764.db2.gz QZRCBRIMEDKHQG-QAPCUYQASA-N 0 3 296.414 2.742 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)cc2F)C1 ZINC000829803980 624545598 /nfs/dbraw/zinc/54/55/98/624545598.db2.gz CZPJQKDKTJWXSW-CYBMUJFWSA-N 0 3 289.350 2.848 20 30 CFEDHN C=CC[C@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000829865283 624571317 /nfs/dbraw/zinc/57/13/17/624571317.db2.gz JQKSQYZHOBWVAI-JOYOIKCWSA-N 0 3 281.787 2.514 20 30 CFEDHN C#CCCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000155054318 624596916 /nfs/dbraw/zinc/59/69/16/624596916.db2.gz FFMRZNKWHKXVPH-UHFFFAOYSA-N 0 3 293.455 2.553 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000830311715 624706373 /nfs/dbraw/zinc/70/63/73/624706373.db2.gz UBUCUHATUPUVKP-CVEARBPZSA-N 0 3 298.430 2.640 20 30 CFEDHN CCCCCCCN1CCN(CCOC(C)C)CC1 ZINC000174897897 624710092 /nfs/dbraw/zinc/71/00/92/624710092.db2.gz JYQNAACURPYDJY-UHFFFAOYSA-N 0 3 270.461 2.999 20 30 CFEDHN CCC/C=C\C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000920478555 624731903 /nfs/dbraw/zinc/73/19/03/624731903.db2.gz LOISACVVLDERHK-SREVYHEPSA-N 0 3 299.418 2.805 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175113659 624927191 /nfs/dbraw/zinc/92/71/91/624927191.db2.gz GMWZPQNOFJTQPW-BDAKNGLRSA-N 0 3 298.795 2.738 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCSC[C@H]2C)cc1 ZINC000179662947 624972152 /nfs/dbraw/zinc/97/21/52/624972152.db2.gz PZMOPNKRZUZXJR-OLZOCXBDSA-N 0 3 276.405 2.915 20 30 CFEDHN C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1[O-] ZINC000179890208 624982369 /nfs/dbraw/zinc/98/23/69/624982369.db2.gz BNISLIZHDKLSHH-ZDUSSCGKSA-N 0 3 282.343 2.993 20 30 CFEDHN N#CC1(NC(=O)CN2CCCCCCCC2)CCCCC1 ZINC000831920221 625178565 /nfs/dbraw/zinc/17/85/65/625178565.db2.gz BGELKDIEUKJENY-UHFFFAOYSA-N 0 3 291.439 2.985 20 30 CFEDHN CC(=NN[C@H]1CCSC1)c1c(C)cc(N)cc1C ZINC000884468849 625907319 /nfs/dbraw/zinc/90/73/19/625907319.db2.gz NWJUYEOOOYTBRE-ZDUSSCGKSA-N 0 3 263.410 2.705 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834904084 625917104 /nfs/dbraw/zinc/91/71/04/625917104.db2.gz MSFQPYHPWUDNII-DMDPSCGWSA-N 0 3 279.355 2.996 20 30 CFEDHN C[C@H](C#N)CNN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834965783 625936340 /nfs/dbraw/zinc/93/63/40/625936340.db2.gz VESSCYORIJYLMH-GBOMROILSA-N 0 3 256.353 2.501 20 30 CFEDHN Nc1ccc2c(c1)CCCC2=NN[C@@H](CO)c1ccccc1 ZINC000834976765 625941273 /nfs/dbraw/zinc/94/12/73/625941273.db2.gz OFUQTKBLZCNHCG-SFHVURJKSA-N 0 3 295.386 2.632 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NN[C@@H]2CCSC2)cc1 ZINC000834979051 625943607 /nfs/dbraw/zinc/94/36/07/625943607.db2.gz FKMNSWVYBKRVPQ-GGCZCBHDSA-N 0 3 275.421 2.847 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000996921846 625943696 /nfs/dbraw/zinc/94/36/96/625943696.db2.gz INBCQICRUCHHCA-NVXWUHKLSA-N 0 3 288.435 2.583 20 30 CFEDHN CC1(C)CC(N=Nc2ccncn2)CN1Cc1ccccc1 ZINC000835000873 625949611 /nfs/dbraw/zinc/94/96/11/625949611.db2.gz HVJKRPALNAOTEU-UHFFFAOYSA-N 0 3 295.390 2.929 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001015987427 625986950 /nfs/dbraw/zinc/98/69/50/625986950.db2.gz IXJHDMBZRDXDQG-ZIAGYGMSSA-N 0 3 292.448 2.927 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C=C)cc2)CC1 ZINC000997313900 625987568 /nfs/dbraw/zinc/98/75/68/625987568.db2.gz WOHYJLKRVKDKAT-OAHLLOKOSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)CC1 ZINC000997916850 626021138 /nfs/dbraw/zinc/02/11/38/626021138.db2.gz VANJGPGEHGLJJC-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997976103 626026136 /nfs/dbraw/zinc/02/61/36/626026136.db2.gz LUFGVWXCYACACX-KRWDZBQOSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000998110114 626032149 /nfs/dbraw/zinc/03/21/49/626032149.db2.gz MEEXTCZLYSNEJI-IXDOHACOSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CCC[C@@H](N(CC)C(=O)c2nccs2)CC1 ZINC000998162841 626034604 /nfs/dbraw/zinc/03/46/04/626034604.db2.gz VWISJHFAINSOSY-CYBMUJFWSA-N 0 3 293.436 2.646 20 30 CFEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC)CC[C@H]1C(F)(F)F ZINC000998222987 626035846 /nfs/dbraw/zinc/03/58/46/626035846.db2.gz CPPJTVXXQMUFNG-VXGBXAGGSA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1C(F)(F)F ZINC000998303153 626041191 /nfs/dbraw/zinc/04/11/91/626041191.db2.gz KUGAIVBGTFDJCG-MNOVXSKESA-N 0 3 292.345 2.588 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC000998434569 626050519 /nfs/dbraw/zinc/05/05/19/626050519.db2.gz UJTDDGOSHYXMEF-IYXRBSQSSA-N 0 3 282.815 2.674 20 30 CFEDHN C[C@H]1C[C@@H]1NCc1cc(C#N)ccc1Br ZINC000921685060 626076403 /nfs/dbraw/zinc/07/64/03/626076403.db2.gz FIQOVXZKKSJWIE-UFBFGSQYSA-N 0 3 265.154 2.819 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC000999649564 626077337 /nfs/dbraw/zinc/07/73/37/626077337.db2.gz KWSBLYUGHHAKDF-RUXDESIVSA-N 0 3 296.842 2.898 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC000999649562 626077571 /nfs/dbraw/zinc/07/75/71/626077571.db2.gz KWSBLYUGHHAKDF-JXQTWKCFSA-N 0 3 296.842 2.898 20 30 CFEDHN C[C@@](O)(CNCc1csc(C#N)c1)c1cccs1 ZINC000921769585 626115976 /nfs/dbraw/zinc/11/59/76/626115976.db2.gz SDDQAANJHFCZKU-CYBMUJFWSA-N 0 3 278.402 2.679 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(C)ccc2F)CC1 ZINC001001208269 626150986 /nfs/dbraw/zinc/15/09/86/626150986.db2.gz ZHUYNCDNWJVFIR-UHFFFAOYSA-N 0 3 288.366 2.682 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc3c2CCC3)CC1 ZINC001001486939 626159759 /nfs/dbraw/zinc/15/97/59/626159759.db2.gz ORDRQJDQUVFHNS-UHFFFAOYSA-N 0 3 296.414 2.723 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001001771491 626163238 /nfs/dbraw/zinc/16/32/38/626163238.db2.gz AZQAGTIWRRHRFW-WBVHZDCISA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCCOCCNCc1cn(C)nc1C1CCCC1 ZINC000921939270 626181618 /nfs/dbraw/zinc/18/16/18/626181618.db2.gz VVIBVDGHQJIGRJ-UHFFFAOYSA-N 0 3 277.412 2.760 20 30 CFEDHN N#Cc1cc(CNC[C@H](O)CCc2ccccc2)cs1 ZINC000921989926 626191837 /nfs/dbraw/zinc/19/18/37/626191837.db2.gz IKYXKDKGDNYAIH-OAHLLOKOSA-N 0 3 286.400 2.703 20 30 CFEDHN C=CCCCNCc1csc(-c2ccn(C)n2)n1 ZINC000922079292 626205027 /nfs/dbraw/zinc/20/50/27/626205027.db2.gz NOKMOLKPKMKQEI-UHFFFAOYSA-N 0 3 262.382 2.599 20 30 CFEDHN CC[C@H](NCc1cc(C#N)ccc1Br)[C@@H](C)O ZINC000922157237 626219933 /nfs/dbraw/zinc/21/99/33/626219933.db2.gz BMYJLIQBKIPNSH-RNCFNFMXSA-N 0 3 297.196 2.570 20 30 CFEDHN CO[C@@H](CNCc1csc(C#N)c1)Cc1ccccc1 ZINC000922154860 626220258 /nfs/dbraw/zinc/22/02/58/626220258.db2.gz QHVPBQKPHNHNOM-OAHLLOKOSA-N 0 3 286.400 2.967 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc(Oc2ccccn2)c1 ZINC000922217990 626243074 /nfs/dbraw/zinc/24/30/74/626243074.db2.gz YXWLXKGOYGFNJI-INIZCTEOSA-N 0 3 296.370 2.738 20 30 CFEDHN CO[C@H](CNCc1csc(C#N)c1)C1CCCC1 ZINC000922261196 626254980 /nfs/dbraw/zinc/25/49/80/626254980.db2.gz QOCJTCAFIKFJTF-CQSZACIVSA-N 0 3 264.394 2.915 20 30 CFEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccncc2)cs1 ZINC000922295397 626262277 /nfs/dbraw/zinc/26/22/77/626262277.db2.gz ZSMREVPSFVGYSS-CABCVRRESA-N 0 3 285.372 2.635 20 30 CFEDHN C#CCC1(NCc2cc(C)cnc2Cl)CCOCC1 ZINC000922343285 626276423 /nfs/dbraw/zinc/27/64/23/626276423.db2.gz FSXYYSUVQYFUJH-UHFFFAOYSA-N 0 3 278.783 2.706 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2scnc2C)CC1 ZINC001005142807 626412005 /nfs/dbraw/zinc/41/20/05/626412005.db2.gz VNQJIASUXKQODX-UHFFFAOYSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccoc2CC)CC1 ZINC001005318689 626414410 /nfs/dbraw/zinc/41/44/10/626414410.db2.gz ONLVKJFMSFIMRQ-UHFFFAOYSA-N 0 3 276.380 2.564 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001005612191 626418218 /nfs/dbraw/zinc/41/82/18/626418218.db2.gz PIJKVKFWAKWPRP-NUEKZKHPSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001005612183 626418322 /nfs/dbraw/zinc/41/83/22/626418322.db2.gz PIJKVKFWAKWPRP-BMFZPTHFSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001005839385 626430047 /nfs/dbraw/zinc/43/00/47/626430047.db2.gz CTWSOSHKDQVUII-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)co2)CC1 ZINC001005850566 626438262 /nfs/dbraw/zinc/43/82/62/626438262.db2.gz AQJOEQNSTXFBEB-UHFFFAOYSA-N 0 3 276.380 2.701 20 30 CFEDHN C#CCC1(NCc2c(C(C)C)nn(C)c2N(C)C)CCC1 ZINC000922997971 626441094 /nfs/dbraw/zinc/44/10/94/626441094.db2.gz OZZIZSPXXVJXCW-UHFFFAOYSA-N 0 3 288.439 2.645 20 30 CFEDHN COc1ccc(CNC2([C@H]3CCCCO3)CC2)cc1C#N ZINC000923030358 626444141 /nfs/dbraw/zinc/44/41/41/626444141.db2.gz PFNRPMGQRJTGRN-MRXNPFEDSA-N 0 3 286.375 2.758 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001005908634 626448425 /nfs/dbraw/zinc/44/84/25/626448425.db2.gz XWUJIQDJOFYLMW-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CC1(C#N)CCCCC1 ZINC000923261326 626460576 /nfs/dbraw/zinc/46/05/76/626460576.db2.gz PHHZEPXVMXEXPB-LSDHHAIUSA-N 0 3 289.423 2.546 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cnoc2C(C)C)CC1 ZINC001006221633 626480660 /nfs/dbraw/zinc/48/06/60/626480660.db2.gz DGZAVZKLYIOEKN-UHFFFAOYSA-N 0 3 291.395 2.520 20 30 CFEDHN C#C[C@H](NC(=O)N(CCC)CCN1CCCCC1)C(C)C ZINC000838597909 626501866 /nfs/dbraw/zinc/50/18/66/626501866.db2.gz IUTCKQQAJQRLLS-INIZCTEOSA-N 0 3 293.455 2.552 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)cc1F ZINC000838624206 626502145 /nfs/dbraw/zinc/50/21/45/626502145.db2.gz MHCNUGCMSKCGCK-UHFFFAOYSA-N 0 3 297.761 2.556 20 30 CFEDHN C#CCN(C)CCCNC(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000838622326 626502182 /nfs/dbraw/zinc/50/21/82/626502182.db2.gz DFRUPFPRPKFEQW-LSDHHAIUSA-N 0 3 293.455 2.550 20 30 CFEDHN COc1ccc(CN(C)[C@H](C)CCC#N)cc1F ZINC000839460122 626536146 /nfs/dbraw/zinc/53/61/46/626536146.db2.gz YCCDZRMGCDBWHC-LLVKDONJSA-N 0 3 250.317 2.958 20 30 CFEDHN C#CCC1(C(=O)NCCN2CCCC[C@H]2C)CCCCC1 ZINC000788160241 626538831 /nfs/dbraw/zinc/53/88/31/626538831.db2.gz YGBMUSMWEGCRQK-MRXNPFEDSA-N 0 3 290.451 2.951 20 30 CFEDHN C#C[C@H](NCCC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000839563632 626547415 /nfs/dbraw/zinc/54/74/15/626547415.db2.gz KGYWFENURPJWCB-LSDHHAIUSA-N 0 3 260.381 2.621 20 30 CFEDHN C=CCOCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757638947 626556986 /nfs/dbraw/zinc/55/69/86/626556986.db2.gz OBICMBMDKBOXAD-ZYHUDNBSSA-N 0 3 265.328 2.872 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(C)CCN1CCCC1 ZINC000758063672 626575014 /nfs/dbraw/zinc/57/50/14/626575014.db2.gz YYSNWMCTHBESLR-OAHLLOKOSA-N 0 3 297.443 2.512 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759816784 626693288 /nfs/dbraw/zinc/69/32/88/626693288.db2.gz ZUQDCPGAPMXQRM-NEPJUHHUSA-N 0 3 279.343 2.940 20 30 CFEDHN N=C(N)NN=C1CCCc2c(Cl)sc(Cl)c21 ZINC000760216642 626720189 /nfs/dbraw/zinc/72/01/89/626720189.db2.gz ROATUJCDJFOKHU-UHFFFAOYSA-N 0 3 277.180 2.578 20 30 CFEDHN C#CCOCCN1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000851777221 634522182 /nfs/dbraw/zinc/52/21/82/634522182.db2.gz LTITVEWSVBHSSC-GDBMZVCRSA-N 0 3 275.417 2.815 20 30 CFEDHN CC(C)CC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000760926698 626783712 /nfs/dbraw/zinc/78/37/12/626783712.db2.gz PJJOJGKJEKZCLW-AWEZNQCLSA-N 0 3 279.428 2.505 20 30 CFEDHN C#CCOCCN(C)[C@@H](C)c1sc(CC)nc1C ZINC000851785551 634529063 /nfs/dbraw/zinc/52/90/63/634529063.db2.gz NITXYPQUJQHKGP-LBPRGKRZSA-N 0 3 266.410 2.657 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(Cl)c(F)c2)CN1C ZINC000761812241 626860383 /nfs/dbraw/zinc/86/03/83/626860383.db2.gz JMXPKOCQKWAADB-QMMMGPOBSA-N 0 3 255.724 2.971 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(OC(F)F)cc2)CN1C ZINC000761813193 626860427 /nfs/dbraw/zinc/86/04/27/626860427.db2.gz UUDPDUONSOLCID-VIFPVBQESA-N 0 3 269.295 2.780 20 30 CFEDHN C[C@H]1CC(N=Nc2ncnc3ccsc32)CN1C1CC1 ZINC000764834961 627099737 /nfs/dbraw/zinc/09/97/37/627099737.db2.gz JHUNZTFTNAUUCU-VIFPVBQESA-N 0 3 287.392 2.716 20 30 CFEDHN C#CCCCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000765193294 627123870 /nfs/dbraw/zinc/12/38/70/627123870.db2.gz MRWKXIVOOQBJLJ-INIZCTEOSA-N 0 3 276.424 2.703 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cc(CC=C)cc(OC)c1O ZINC000766663428 627213526 /nfs/dbraw/zinc/21/35/26/627213526.db2.gz LNXHAMUZFXGYHE-GFCCVEGCSA-N 0 3 259.349 2.583 20 30 CFEDHN C#CCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000766896669 627225295 /nfs/dbraw/zinc/22/52/95/627225295.db2.gz QNFCMLHKTKQZHH-UHFFFAOYSA-N 0 3 276.811 2.871 20 30 CFEDHN C#CCCCN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000766903588 627225915 /nfs/dbraw/zinc/22/59/15/627225915.db2.gz SYEXXEYHFGAFPJ-KRWDZBQOSA-N 0 3 285.366 2.994 20 30 CFEDHN C#CCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000766929437 627227642 /nfs/dbraw/zinc/22/76/42/627227642.db2.gz YMSLVEUSRXKEOZ-UHFFFAOYSA-N 0 3 258.321 2.973 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000767071355 627233505 /nfs/dbraw/zinc/23/35/05/627233505.db2.gz IMSDQYZOUKDVLN-DOTOQJQBSA-N 0 3 298.430 2.988 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000767071357 627233778 /nfs/dbraw/zinc/23/37/78/627233778.db2.gz IMSDQYZOUKDVLN-RDJZCZTQSA-N 0 3 298.430 2.988 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(O)(c2ccccc2)CC1 ZINC000767856471 627289382 /nfs/dbraw/zinc/28/93/82/627289382.db2.gz XWJJVEYHPIDXKI-OAHLLOKOSA-N 0 3 257.377 2.772 20 30 CFEDHN C#CCN(CC)Cc1ccc(OCC(F)F)cc1 ZINC000769103839 627402924 /nfs/dbraw/zinc/40/29/24/627402924.db2.gz CSGLVKQKOMWOHL-UHFFFAOYSA-N 0 3 253.292 2.786 20 30 CFEDHN C#CCOCCN[C@H](C)c1ccccc1OC(C)C ZINC000851894787 634576333 /nfs/dbraw/zinc/57/63/33/634576333.db2.gz AZOPZINOGICQNG-CQSZACIVSA-N 0 3 261.365 2.774 20 30 CFEDHN C[C@@H](CC#N)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000771886734 627642749 /nfs/dbraw/zinc/64/27/49/627642749.db2.gz RFWCRFJZLPDGET-AWEZNQCLSA-N 0 3 270.380 2.903 20 30 CFEDHN C#CCN(CC[C@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000851937956 634600488 /nfs/dbraw/zinc/60/04/88/634600488.db2.gz FVBCSXSUQZUDMJ-OAHLLOKOSA-N 0 3 286.400 2.587 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000773010465 627768367 /nfs/dbraw/zinc/76/83/67/627768367.db2.gz LTGDLUKVSVKESO-NSHDSACASA-N 0 3 297.395 2.860 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000774541892 627936755 /nfs/dbraw/zinc/93/67/55/627936755.db2.gz LVVNMGIRGZSRIM-KGLIPLIRSA-N 0 3 281.469 2.840 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774825548 627967755 /nfs/dbraw/zinc/96/77/55/627967755.db2.gz DLCWNFVZISIOED-JTQLQIEISA-N 0 3 284.743 2.522 20 30 CFEDHN C[C@H](NC/C=C\Cl)c1ccc(OCC#N)cc1 ZINC000775336979 628010993 /nfs/dbraw/zinc/01/09/93/628010993.db2.gz VPQJDLXOVGLEAV-JNWMYZIBSA-N 0 3 250.729 2.992 20 30 CFEDHN C#C[C@H](NCc1ccnc2ccccc12)[C@H]1CCCO1 ZINC000775347126 628013986 /nfs/dbraw/zinc/01/39/86/628013986.db2.gz XTTQKMRBQBJWDF-DOTOQJQBSA-N 0 3 266.344 2.505 20 30 CFEDHN C#C[C@H](NC1CC(c2ccccc2F)C1)[C@@H]1CCCO1 ZINC000775573297 628041783 /nfs/dbraw/zinc/04/17/83/628041783.db2.gz GSHOLHYWGSJOSY-SMELUJQZSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](NCc1c(C)cc(C)cc1C)[C@@H]1CCCO1 ZINC000775784563 628067043 /nfs/dbraw/zinc/06/70/43/628067043.db2.gz KEGXQNKVHKWLFC-IRXDYDNUSA-N 0 3 257.377 2.882 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)CCCc1ccccc1 ZINC000776076280 628099158 /nfs/dbraw/zinc/09/91/58/628099158.db2.gz DWVDVBZGPKBIRH-GOEBONIOSA-N 0 3 298.386 2.656 20 30 CFEDHN CCc1cc(CN[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000776158666 628108079 /nfs/dbraw/zinc/10/80/79/628108079.db2.gz VDJSAZQHRDYBLZ-NSHDSACASA-N 0 3 254.337 2.695 20 30 CFEDHN COc1ccc(CN[C@@H](C)c2cccc(CO)c2)cc1C#N ZINC000776309006 628129413 /nfs/dbraw/zinc/12/94/13/628129413.db2.gz BYOQDGUPJJWHLI-ZDUSSCGKSA-N 0 3 296.370 2.910 20 30 CFEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776608685 628164751 /nfs/dbraw/zinc/16/47/51/628164751.db2.gz DSUYJAHDMPZRQA-STQMWFEESA-N 0 3 268.401 2.892 20 30 CFEDHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000776728057 628171527 /nfs/dbraw/zinc/17/15/27/628171527.db2.gz QCFPEHHPSAKLCU-QMTHXVAHSA-N 0 3 274.295 2.675 20 30 CFEDHN CC(C)N1CC(=NOCCC(F)(F)F)[C@H](C)C1 ZINC000777462733 628228195 /nfs/dbraw/zinc/22/81/95/628228195.db2.gz JXLGHLKVWDUAPF-SECBINFHSA-N 0 3 252.280 2.672 20 30 CFEDHN COC[C@H](C)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000777901148 628263107 /nfs/dbraw/zinc/26/31/07/628263107.db2.gz ANGVNKKTPWOUOV-AWEZNQCLSA-N 0 3 275.396 2.635 20 30 CFEDHN COC[C@@H](C)NN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000777903405 628263830 /nfs/dbraw/zinc/26/38/30/628263830.db2.gz ZWMFKPXQBINISY-DMDHLCOLSA-N 0 3 287.407 2.908 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCCN1C ZINC000778163809 628282439 /nfs/dbraw/zinc/28/24/39/628282439.db2.gz IAMSNAYLZYJNAS-ZDUSSCGKSA-N 0 3 292.810 2.536 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2nc(Cl)ccc21 ZINC000806148042 628362313 /nfs/dbraw/zinc/36/23/13/628362313.db2.gz BZILTZQPMNBKAV-GFCCVEGCSA-N 0 3 266.772 2.905 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000852097558 634650802 /nfs/dbraw/zinc/65/08/02/634650802.db2.gz QYMPQXLJGXQARW-BFYDXBDKSA-N 0 3 276.424 2.559 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000852097940 634651784 /nfs/dbraw/zinc/65/17/84/634651784.db2.gz ARSXXAZRSZUYNX-BLLLJJGKSA-N 0 3 292.810 2.736 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000852097703 634651858 /nfs/dbraw/zinc/65/18/58/634651858.db2.gz UXGKTLKBMUOVKT-YJBOKZPZSA-N 0 3 286.419 2.815 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000852098288 634652003 /nfs/dbraw/zinc/65/20/03/634652003.db2.gz IZYQVIDBIVWCRU-CZUORRHYSA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000852098844 634653394 /nfs/dbraw/zinc/65/33/94/634653394.db2.gz XPXFNKOBNIKNMK-HKUYNNGSSA-N 0 3 298.430 2.914 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21 ZINC000852099564 634654232 /nfs/dbraw/zinc/65/42/32/634654232.db2.gz MRBNCYLJGZNJNN-FUHWJXTLSA-N 0 3 284.403 2.572 20 30 CFEDHN C#C[C@](C)(CC)NCc1cccc(C(=O)NCC(C)C)c1 ZINC000852100594 634655065 /nfs/dbraw/zinc/65/50/65/634655065.db2.gz YOGCZCFSXHIAQW-GOSISDBHSA-N 0 3 286.419 2.964 20 30 CFEDHN CC(C)C[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000781419841 628546824 /nfs/dbraw/zinc/54/68/24/628546824.db2.gz DWVJPEWJALEWDW-AAEUAGOBSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@@H](NCCOc1cccnc1)c1ccc(C#N)cc1F ZINC000781421119 628547464 /nfs/dbraw/zinc/54/74/64/628547464.db2.gz FFDPBGXXJANZCQ-GFCCVEGCSA-N 0 3 285.322 2.822 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781990036 628595421 /nfs/dbraw/zinc/59/54/21/628595421.db2.gz YDLJZMJIYPOPAI-OAHLLOKOSA-N 0 3 294.439 2.977 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1c2ccccc2CC[C@H]1C ZINC000783531700 628717706 /nfs/dbraw/zinc/71/77/06/628717706.db2.gz KXZLNDKKDGKHCP-CZUORRHYSA-N 0 3 293.432 2.500 20 30 CFEDHN N#CCCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783665413 628732277 /nfs/dbraw/zinc/73/22/77/628732277.db2.gz XRPXMDABZGWUTQ-UHFFFAOYSA-N 0 3 253.689 2.642 20 30 CFEDHN Cc1nn(-c2ccncc2)cc1CN=Nc1cc(C)ccn1 ZINC000783854745 628750201 /nfs/dbraw/zinc/75/02/01/628750201.db2.gz AAOHNEKBFHAORX-UHFFFAOYSA-N 0 3 292.346 2.725 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)CN1C ZINC000783880794 628753020 /nfs/dbraw/zinc/75/30/20/628753020.db2.gz MXCICHARQSZDDQ-VIFPVBQESA-N 0 3 262.744 2.704 20 30 CFEDHN C(=NNC1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000786042366 628932667 /nfs/dbraw/zinc/93/26/67/628932667.db2.gz SQJNMCQVWNZHTJ-UHFFFAOYSA-N 0 3 287.407 2.779 20 30 CFEDHN COC(C)(C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000786327826 628948770 /nfs/dbraw/zinc/94/87/70/628948770.db2.gz IVMAWRHXCHUOGS-SNVBAGLBSA-N 0 3 272.304 2.819 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CCC2)c1 ZINC000786538584 628967209 /nfs/dbraw/zinc/96/72/09/628967209.db2.gz GCZAHOFBIUJLON-MRXNPFEDSA-N 0 3 298.386 2.900 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1O ZINC000787311080 629006244 /nfs/dbraw/zinc/00/62/44/629006244.db2.gz RCNYMCHQYCMPIO-CYBMUJFWSA-N 0 3 277.364 2.950 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000787997960 629047572 /nfs/dbraw/zinc/04/75/72/629047572.db2.gz TWGZOSHYHGPWNA-MRXNPFEDSA-N 0 3 289.419 2.695 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788798766 629100245 /nfs/dbraw/zinc/10/02/45/629100245.db2.gz BGXPHMODYYMUFA-JTQLQIEISA-N 0 3 274.324 2.521 20 30 CFEDHN O=C(OCCC#Cc1ccccc1)C1CCN(C2CC2)CC1 ZINC000805886819 629148333 /nfs/dbraw/zinc/14/83/33/629148333.db2.gz KDGSNSBWLDYWBZ-UHFFFAOYSA-N 0 3 297.398 2.846 20 30 CFEDHN N#C[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000805890172 629157601 /nfs/dbraw/zinc/15/76/01/629157601.db2.gz CDHTWMOUAOLCFM-MRXNPFEDSA-N 0 3 284.359 2.741 20 30 CFEDHN N#C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000805890171 629157779 /nfs/dbraw/zinc/15/77/79/629157779.db2.gz CDHTWMOUAOLCFM-INIZCTEOSA-N 0 3 284.359 2.741 20 30 CFEDHN N#C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805890567 629158220 /nfs/dbraw/zinc/15/82/20/629158220.db2.gz QSMJUDWRRXZOIP-KRWDZBQOSA-N 0 3 298.386 2.744 20 30 CFEDHN Cn1cc[nH+]c1[N-]N=C1CC(C)(C)c2ccccc21 ZINC000790305291 629229253 /nfs/dbraw/zinc/22/92/53/629229253.db2.gz IFJROZAESVPISE-UHFFFAOYSA-N 0 3 254.337 2.918 20 30 CFEDHN C#C[C@H](NCCSCc1ccccc1)[C@H]1CCCO1 ZINC000790338162 629233620 /nfs/dbraw/zinc/23/36/20/629233620.db2.gz DSBJAZYMCBGNIC-JKSUJKDBSA-N 0 3 275.417 2.690 20 30 CFEDHN CN(CCCN1CCC[C@H](CC#N)C1)C(=O)OC(C)(C)C ZINC000852319472 634718793 /nfs/dbraw/zinc/71/87/93/634718793.db2.gz NKCDJZOCFSUQMR-CQSZACIVSA-N 0 3 295.427 2.869 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000852319060 634719144 /nfs/dbraw/zinc/71/91/44/634719144.db2.gz GHCSMHJIPBDFDV-DOTOQJQBSA-N 0 3 272.392 2.963 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC1(O)CCC1 ZINC000790638056 629254171 /nfs/dbraw/zinc/25/41/71/629254171.db2.gz RNESLOVEDLUZKJ-UHFFFAOYSA-N 0 3 293.794 2.747 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791538487 629329216 /nfs/dbraw/zinc/32/92/16/629329216.db2.gz AQFKIEQXZLBOEQ-KSSFIOAISA-N 0 3 267.372 2.697 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(F)c(F)c1)[C@H](C)COC ZINC000852357620 634731913 /nfs/dbraw/zinc/73/19/13/634731913.db2.gz FEVGYLDWWSXAHK-ABAIWWIYSA-N 0 3 285.334 2.521 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000852357623 634732136 /nfs/dbraw/zinc/73/21/36/634732136.db2.gz FEVGYLDWWSXAHK-XHDPSFHLSA-N 0 3 285.334 2.521 20 30 CFEDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c([O-])c1 ZINC000793386427 629535916 /nfs/dbraw/zinc/53/59/16/629535916.db2.gz PWWSUVYVUDXHNI-WCQYABFASA-N 0 3 260.337 2.573 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(Br)cc1 ZINC000794574214 629663012 /nfs/dbraw/zinc/66/30/12/629663012.db2.gz CBTYDUVTYSPPPB-CYBMUJFWSA-N 0 3 296.208 2.826 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794819004 629690140 /nfs/dbraw/zinc/69/01/40/629690140.db2.gz WIXUDSSKWGUXSU-HIFRSBDPSA-N 0 3 263.381 2.926 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(F)F ZINC000796620850 629941932 /nfs/dbraw/zinc/94/19/32/629941932.db2.gz WJWGOXBCZKLTAC-VIFPVBQESA-N 0 3 277.274 2.795 20 30 CFEDHN C=CCC[C@@H](NCC[S@@](=O)CC)c1ccco1 ZINC000796762380 629961927 /nfs/dbraw/zinc/96/19/27/629961927.db2.gz UPKROMOZKGJLBI-PXAZEXFGSA-N 0 3 255.383 2.645 20 30 CFEDHN N#CC1(CN[C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000852565994 634781585 /nfs/dbraw/zinc/78/15/85/634781585.db2.gz LAYPPSNMZSMAQE-HIFRSBDPSA-N 0 3 255.365 2.686 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(F)cn1 ZINC000799317795 630296661 /nfs/dbraw/zinc/29/66/61/630296661.db2.gz VVLUEELOANNFMI-INIZCTEOSA-N 0 3 290.338 2.578 20 30 CFEDHN Cc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1C#N ZINC000799348132 630303114 /nfs/dbraw/zinc/30/31/14/630303114.db2.gz ZISAXVXIAZIRPY-UHFFFAOYSA-N 0 3 299.418 2.813 20 30 CFEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103638826 630305245 /nfs/dbraw/zinc/30/52/45/630305245.db2.gz KMOUPKHQUOIDRS-SWLSCSKDSA-N 0 3 284.359 2.558 20 30 CFEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000103639224 630306810 /nfs/dbraw/zinc/30/68/10/630306810.db2.gz HMOHXVLHWLPLNR-UKRRQHHQSA-N 0 3 286.375 2.804 20 30 CFEDHN C#CCOc1ccccc1CN1CC(C2CCOCC2)C1 ZINC000800532197 630394497 /nfs/dbraw/zinc/39/44/97/630394497.db2.gz RXIGSJURMOMRNV-UHFFFAOYSA-N 0 3 285.387 2.557 20 30 CFEDHN C=C(C)[C@H](CO)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801596056 630461375 /nfs/dbraw/zinc/46/13/75/630461375.db2.gz NNIVVLRMCZRDLC-HNNXBMFYSA-N 0 3 263.381 2.931 20 30 CFEDHN C=C(C)[C@H](CO)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801596056 630461378 /nfs/dbraw/zinc/46/13/78/630461378.db2.gz NNIVVLRMCZRDLC-HNNXBMFYSA-N 0 3 263.381 2.931 20 30 CFEDHN CCCC[N@H+](CC#CCOC)Cc1ccccc1[O-] ZINC000801596131 630461436 /nfs/dbraw/zinc/46/14/36/630461436.db2.gz PRQQACWKLCALHC-UHFFFAOYSA-N 0 3 261.365 2.644 20 30 CFEDHN CCCC[N@@H+](CC#CCOC)Cc1ccccc1[O-] ZINC000801596131 630461438 /nfs/dbraw/zinc/46/14/38/630461438.db2.gz PRQQACWKLCALHC-UHFFFAOYSA-N 0 3 261.365 2.644 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCOC2=O)CC1 ZINC000852723615 634814666 /nfs/dbraw/zinc/81/46/66/634814666.db2.gz XSLGCZZTMXRKFT-ZDUSSCGKSA-N 0 3 299.374 2.536 20 30 CFEDHN C[C@H](C#N)OCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000801914415 630486066 /nfs/dbraw/zinc/48/60/66/630486066.db2.gz BYUPTRHSMPIINM-NVXWUHKLSA-N 0 3 288.391 2.596 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(OC2CCC(C)CC2)CC1 ZINC000801920316 630487936 /nfs/dbraw/zinc/48/79/36/630487936.db2.gz STSXIDBSSKKBHQ-HWOWSKLDSA-N 0 3 294.439 2.975 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(CCO[C@H](C)C#N)[C@@H]2C ZINC000801938786 630492337 /nfs/dbraw/zinc/49/23/37/630492337.db2.gz LSBURBGCUFZHFP-BFHYXJOUSA-N 0 3 288.391 2.931 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000801950400 630494280 /nfs/dbraw/zinc/49/42/80/630494280.db2.gz VMCOWRHQABDXLH-QWRGUYRKSA-N 0 3 278.318 2.825 20 30 CFEDHN Cc1cnc(C2CCN(CCO[C@H](C)C#N)CC2)s1 ZINC000801951208 630494320 /nfs/dbraw/zinc/49/43/20/630494320.db2.gz SIZKGMIJOQCAFX-LLVKDONJSA-N 0 3 279.409 2.560 20 30 CFEDHN CSc1ccccc1CN(C)CCO[C@H](C)C#N ZINC000801952365 630495224 /nfs/dbraw/zinc/49/52/24/630495224.db2.gz ULUWGGZHLPSLTO-GFCCVEGCSA-N 0 3 264.394 2.769 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802032208 630498680 /nfs/dbraw/zinc/49/86/80/630498680.db2.gz OJKQHZDMDOPVCK-LPEHRKFASA-N 0 3 289.285 2.651 20 30 CFEDHN C=CCCCN1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852737472 634817077 /nfs/dbraw/zinc/81/70/77/634817077.db2.gz DLCFJDUWFZPMEV-CHWSQXEVSA-N 0 3 286.391 2.890 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OC(F)F)cc1 ZINC000852751696 634825711 /nfs/dbraw/zinc/82/57/11/634825711.db2.gz JOAPSHZCDKKFBT-UHFFFAOYSA-N 0 3 283.318 2.760 20 30 CFEDHN C#CCCN(CCOC)CCOc1ccccc1Cl ZINC000852752748 634825869 /nfs/dbraw/zinc/82/58/69/634825869.db2.gz KGPLMJVRELVPFP-UHFFFAOYSA-N 0 3 281.783 2.691 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(C)c(C#N)c1 ZINC000804443440 630682162 /nfs/dbraw/zinc/68/21/62/630682162.db2.gz YVRJKFFQGWHEFZ-UHFFFAOYSA-N 0 3 299.418 2.815 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)CN(C)C)c([O-])c1 ZINC000804599308 630762471 /nfs/dbraw/zinc/76/24/71/630762471.db2.gz XTWHPAMRXXSKBT-MFVBVHDHSA-N 0 3 277.412 2.607 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000836490381 630833271 /nfs/dbraw/zinc/83/32/71/630833271.db2.gz YFHVXHHDRGTESN-HNNXBMFYSA-N 0 3 293.455 2.552 20 30 CFEDHN N#CC(C(=O)CCc1ccsc1)c1ccccn1 ZINC000041493370 649991088 /nfs/dbraw/zinc/99/10/88/649991088.db2.gz GTPYWNZFXFZVLO-GFCCVEGCSA-N 0 3 256.330 2.952 20 30 CFEDHN CC(C)N1CC(N=Nc2nccnc2C2CCC2)[C@@H](C)C1 ZINC000807994265 630933847 /nfs/dbraw/zinc/93/38/47/630933847.db2.gz MJQNKCGVJKTUAA-LBPRGKRZSA-N 0 3 287.411 2.872 20 30 CFEDHN CCN(CC)c1ccc(C=NN[C@@H]2CCSC2)cc1 ZINC000808002500 630937549 /nfs/dbraw/zinc/93/75/49/630937549.db2.gz LZJZWSIZSCZSCN-CQSZACIVSA-N 0 3 277.437 2.962 20 30 CFEDHN C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714989 631033326 /nfs/dbraw/zinc/03/33/26/631033326.db2.gz RCYADWQDYKKVGX-PWSUYJOCSA-N 0 3 269.772 2.942 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)OC[C@H]1CCCCN1C(C)C ZINC000837702347 631112169 /nfs/dbraw/zinc/11/21/69/631112169.db2.gz PWIANEJDMRFRGB-CYBMUJFWSA-N 0 3 290.363 2.879 20 30 CFEDHN C#Cc1ccc(CN(C)C[C@H]2COc3ccccc3O2)cc1 ZINC000809541686 631230097 /nfs/dbraw/zinc/23/00/97/631230097.db2.gz NNKUUAAQJRGHCP-KRWDZBQOSA-N 0 3 293.366 2.940 20 30 CFEDHN Cc1[nH]c2ccccc2c1C1CCN(C[C@H](O)CC#N)CC1 ZINC000809572980 631237994 /nfs/dbraw/zinc/23/79/94/631237994.db2.gz XMZIBUWZOBNAEN-OAHLLOKOSA-N 0 3 297.402 2.930 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(OC)c(OC)c2)cc1 ZINC000809602692 631243939 /nfs/dbraw/zinc/24/39/39/631243939.db2.gz WTTJBOGSHVQSCT-UHFFFAOYSA-N 0 3 281.355 2.975 20 30 CFEDHN C#Cc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000809621450 631248994 /nfs/dbraw/zinc/24/89/94/631248994.db2.gz FTYGWAQYHJQOHK-GOSISDBHSA-N 0 3 265.356 2.881 20 30 CFEDHN C#Cc1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000809621602 631249043 /nfs/dbraw/zinc/24/90/43/631249043.db2.gz LCWLSWISILZXSI-HNNXBMFYSA-N 0 3 271.385 2.943 20 30 CFEDHN C#Cc1ccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000809637954 631252345 /nfs/dbraw/zinc/25/23/45/631252345.db2.gz UCKHKJNZQNJPKB-UHFFFAOYSA-N 0 3 277.327 2.540 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000809683469 631261946 /nfs/dbraw/zinc/26/19/46/631261946.db2.gz CLEDQRILUWBBQN-CHWSQXEVSA-N 0 3 261.365 2.984 20 30 CFEDHN C#C[C@@H](NCc1cc(CC=C)c(O)c(OC)c1)C(C)C ZINC000809685327 631262987 /nfs/dbraw/zinc/26/29/87/631262987.db2.gz NRRYPWLYTVTELI-OAHLLOKOSA-N 0 3 273.376 2.877 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc2c(c1)COC(C)(C)O2 ZINC000809686445 631263002 /nfs/dbraw/zinc/26/30/02/631263002.db2.gz SAHBAPKZVJYEPQ-AWEZNQCLSA-N 0 3 259.349 2.833 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN1CCC[C@@H]1CO ZINC000841661214 631446137 /nfs/dbraw/zinc/44/61/37/631446137.db2.gz LMIXOFUBJKFARJ-NXFZTPHESA-N 0 3 299.418 2.740 20 30 CFEDHN C#C[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000842391093 631615163 /nfs/dbraw/zinc/61/51/63/631615163.db2.gz HPSVLNXRFCIPQX-QGZVFWFLSA-N 0 3 283.371 2.779 20 30 CFEDHN C#C[C@@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000812045604 631655489 /nfs/dbraw/zinc/65/54/89/631655489.db2.gz NFJKEVYUEKPKIZ-WBVHZDCISA-N 0 3 299.418 2.535 20 30 CFEDHN CC(=NN(C)[C@H](C)CO)c1ccc(N2CCCCC2)cc1 ZINC000842545281 631661067 /nfs/dbraw/zinc/66/10/67/631661067.db2.gz SAEHJCIHQKSPBI-CQSZACIVSA-N 0 3 289.423 2.714 20 30 CFEDHN C#CC[C@@H]1CCCN(Cn2ccc(-c3ccc(F)cn3)n2)C1 ZINC000842629175 631685067 /nfs/dbraw/zinc/68/50/67/631685067.db2.gz KYYHZGBTZKFFKV-CQSZACIVSA-N 0 3 298.365 2.777 20 30 CFEDHN C=CCCCCCCCNC(=O)N1CCCN(C)CC1 ZINC000812494209 631726807 /nfs/dbraw/zinc/72/68/07/631726807.db2.gz FADIMNBEIFEOIU-UHFFFAOYSA-N 0 3 281.444 2.860 20 30 CFEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000813059781 631822653 /nfs/dbraw/zinc/82/26/53/631822653.db2.gz HRZODVPGKLOOTG-GFCCVEGCSA-N 0 3 289.722 2.681 20 30 CFEDHN CCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212691 631881889 /nfs/dbraw/zinc/88/18/89/631881889.db2.gz FKCGSXSCPMOGLG-PSASIEDQSA-N 0 3 286.253 2.702 20 30 CFEDHN COC(C)(C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219215 631882844 /nfs/dbraw/zinc/88/28/44/631882844.db2.gz XXHFSSUMDRFXFJ-VIFPVBQESA-N 0 3 286.253 2.702 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@@]1(O)CCc2ccccc21 ZINC000843420260 631949838 /nfs/dbraw/zinc/94/98/38/631949838.db2.gz AFILVPMRPVNKIG-KRWDZBQOSA-N 0 3 298.411 2.886 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@]1(O)CCc2ccccc21 ZINC000843420261 631950315 /nfs/dbraw/zinc/95/03/15/631950315.db2.gz AFILVPMRPVNKIG-QGZVFWFLSA-N 0 3 298.411 2.886 20 30 CFEDHN C#CC1CC[NH+](Cc2ccc(OCC)cc2[O-])CC1 ZINC000843426622 631954470 /nfs/dbraw/zinc/95/44/70/631954470.db2.gz CMDCVSQZQWDEPJ-UHFFFAOYSA-N 0 3 259.349 2.636 20 30 CFEDHN C#C[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC000813776455 631958754 /nfs/dbraw/zinc/95/87/54/631958754.db2.gz FMLVAFKGCQJACP-JKSUJKDBSA-N 0 3 290.451 2.948 20 30 CFEDHN C#C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccccc1 ZINC000843637838 632011710 /nfs/dbraw/zinc/01/17/10/632011710.db2.gz GEBFKXHHAGBHHH-NVXWUHKLSA-N 0 3 284.403 2.742 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000814107362 632014936 /nfs/dbraw/zinc/01/49/36/632014936.db2.gz FKZOFAZTIKXEQS-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)SC ZINC000156291320 650051522 /nfs/dbraw/zinc/05/15/22/650051522.db2.gz SNMWENPJNZVKPT-NWDGAFQWSA-N 0 3 284.425 2.533 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844356420 632178972 /nfs/dbraw/zinc/17/89/72/632178972.db2.gz IDULMUHGGURQKK-XJKSGUPXSA-N 0 3 276.355 2.718 20 30 CFEDHN CC(C)SCCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372131 632183511 /nfs/dbraw/zinc/18/35/11/632183511.db2.gz VDFANCHSJNZZCR-OAHLLOKOSA-N 0 3 278.421 2.665 20 30 CFEDHN C[C@@H](C#N)OCCN1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000844426651 632206913 /nfs/dbraw/zinc/20/69/13/632206913.db2.gz ZJUCZVSXNUOMGD-UONOGXRCSA-N 0 3 296.411 2.501 20 30 CFEDHN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)/C=C/c1ccccc1C#N ZINC000844647604 632273492 /nfs/dbraw/zinc/27/34/92/632273492.db2.gz ZJYXRKLBUHTNAS-ZADYKGMSSA-N 0 3 297.402 2.511 20 30 CFEDHN N#CC(C(=O)CCc1cncs1)c1nc2ccccc2[nH]1 ZINC000815898220 632329791 /nfs/dbraw/zinc/32/97/91/632329791.db2.gz WQTPFBPQRBDAOW-NSHDSACASA-N 0 3 296.355 2.828 20 30 CFEDHN CCc1ccc(C#CC(=O)N[C@H]2CCCN(C(C)C)C2)cc1 ZINC000816141945 632381589 /nfs/dbraw/zinc/38/15/89/632381589.db2.gz BNTUNJQNHJZSBV-SFHVURJKSA-N 0 3 298.430 2.590 20 30 CFEDHN CC([C@@H](OC(=O)CCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845876273 632589134 /nfs/dbraw/zinc/58/91/34/632589134.db2.gz BSDNXQNPJRWGEE-IINYFYTJSA-N 0 3 294.282 2.769 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000817280573 632592951 /nfs/dbraw/zinc/59/29/51/632592951.db2.gz APGONONIJNKHLT-WDEREUQCSA-N 0 3 264.291 2.579 20 30 CFEDHN Cc1nc(Cl)cc(NNC=CC(F)(F)F)n1 ZINC000817325908 632602686 /nfs/dbraw/zinc/60/26/86/632602686.db2.gz OOVOKAJRKGIPCW-UHFFFAOYSA-N 0 3 252.627 2.789 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000846116370 632638340 /nfs/dbraw/zinc/63/83/40/632638340.db2.gz GLVLCQPRGUNZKD-HNNXBMFYSA-N 0 3 277.314 2.930 20 30 CFEDHN COC1([C@@H](C)NCc2ccc(C#N)cn2)CCCCC1 ZINC000817584258 632671614 /nfs/dbraw/zinc/67/16/14/632671614.db2.gz VYPYAGQFEBFGKB-CYBMUJFWSA-N 0 3 273.380 2.781 20 30 CFEDHN CCCCCCCCCNC(=O)[C@H](N)C1CCC1 ZINC000817906848 632729188 /nfs/dbraw/zinc/72/91/88/632729188.db2.gz JFNXBDZTZXWMBA-CQSZACIVSA-N 0 3 254.418 2.981 20 30 CFEDHN C=C[C@@H](C)ONC(=O)c1oc2ccccc2c1CN(C)C ZINC000846546562 632735386 /nfs/dbraw/zinc/73/53/86/632735386.db2.gz WSUHSYIHAXKIDE-LLVKDONJSA-N 0 3 288.347 2.730 20 30 CFEDHN CC(C)c1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000818138411 632804849 /nfs/dbraw/zinc/80/48/49/632804849.db2.gz FVXFQRHLVPAOLE-HNNXBMFYSA-N 0 3 273.380 2.794 20 30 CFEDHN C=CCC[C@@H](CCC)NCc1nn(CC)nc1C ZINC000818345439 632834976 /nfs/dbraw/zinc/83/49/76/632834976.db2.gz URFDRJIPPZTMOE-CYBMUJFWSA-N 0 3 250.390 2.831 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000818346695 632835347 /nfs/dbraw/zinc/83/53/47/632835347.db2.gz IEQCLIGJLRXZFT-PGUXBMHVSA-N 0 3 265.328 2.773 20 30 CFEDHN CCN(Cc1ccc(C#N)cn1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000846913292 632843738 /nfs/dbraw/zinc/84/37/38/632843738.db2.gz RUFLFZXYBXBQGE-RDTXWAMCSA-N 0 3 295.386 2.897 20 30 CFEDHN CCOC(CN(CC)CCC(C)(C)C#N)OCC ZINC000846976318 632865907 /nfs/dbraw/zinc/86/59/07/632865907.db2.gz UPQHYQXUJBQPLL-UHFFFAOYSA-N 0 3 256.390 2.647 20 30 CFEDHN C#CCN(C)CCCNC(=O)CCCCC(C)(C)C ZINC000818588707 632873741 /nfs/dbraw/zinc/87/37/41/632873741.db2.gz CPPMTEHFCUUYCV-UHFFFAOYSA-N 0 3 266.429 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000818609452 632878910 /nfs/dbraw/zinc/87/89/10/632878910.db2.gz XUDKCBGXTXSMBA-HNNXBMFYSA-N 0 3 286.419 2.885 20 30 CFEDHN C#C[C@@H]1CCCN(CCOc2ccccc2OCC)C1 ZINC000847023550 632889911 /nfs/dbraw/zinc/88/99/11/632889911.db2.gz DNEMGGQFIVPWDG-OAHLLOKOSA-N 0 3 273.376 2.809 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000847032878 632895604 /nfs/dbraw/zinc/89/56/04/632895604.db2.gz VRLFYNAWWVCRON-OAHLLOKOSA-N 0 3 277.371 2.989 20 30 CFEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000847034973 632898432 /nfs/dbraw/zinc/89/84/32/632898432.db2.gz XRQOSMSONKHZJD-IAGOWNOFSA-N 0 3 298.430 2.769 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CNCC#Cc2ccccc2)c1 ZINC000818945518 632912051 /nfs/dbraw/zinc/91/20/51/632912051.db2.gz ILPOTVYAQAIIDN-LJQANCHMSA-N 0 3 279.383 2.978 20 30 CFEDHN C=CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccncc1 ZINC000819073047 632952678 /nfs/dbraw/zinc/95/26/78/632952678.db2.gz ASHVORSDXHLCHV-NWDGAFQWSA-N 0 3 274.286 2.602 20 30 CFEDHN N#CC(C(=O)CC1=CCCCC1)C(=O)NC1CCCC1 ZINC000106985450 633008611 /nfs/dbraw/zinc/00/86/11/633008611.db2.gz XZRQJGIEUIMYOK-CQSZACIVSA-N 0 3 274.364 2.645 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)CC12CCC2 ZINC000819325801 633080604 /nfs/dbraw/zinc/08/06/04/633080604.db2.gz HOXOBOFVPPZWCR-CYBMUJFWSA-N 0 3 293.411 2.812 20 30 CFEDHN C[C@H](COC(=O)c1cccc(C#N)c1)N1CCCCC1 ZINC000847958378 633164193 /nfs/dbraw/zinc/16/41/93/633164193.db2.gz ISLQZILSKIRLEB-CYBMUJFWSA-N 0 3 272.348 2.589 20 30 CFEDHN C[C@H](COC(=O)c1ccc(C#N)cc1)N1CCCCC1 ZINC000847960195 633166830 /nfs/dbraw/zinc/16/68/30/633166830.db2.gz ZOCFUCZEIHCFID-CYBMUJFWSA-N 0 3 272.348 2.589 20 30 CFEDHN N#Cc1ccc(N=NC2CCCN3CCCC[C@H]23)cc1 ZINC000848403872 633249569 /nfs/dbraw/zinc/24/95/69/633249569.db2.gz ARZQLPMSZOCURG-MRXNPFEDSA-N 0 3 268.364 2.974 20 30 CFEDHN COc1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848409150 633250991 /nfs/dbraw/zinc/25/09/91/633250991.db2.gz NUKZGZBXOMPSQG-AWEZNQCLSA-N 0 3 274.368 2.506 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848877079 633356814 /nfs/dbraw/zinc/35/68/14/633356814.db2.gz PGOIOANHSFAHRM-CMDGGOBGSA-N 0 3 263.337 2.864 20 30 CFEDHN COC(=O)/C=C/c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000848901902 633389662 /nfs/dbraw/zinc/38/96/62/633389662.db2.gz FYBCFKBHJCGJBX-SNAWJCMRSA-N 0 3 288.347 2.591 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000848923846 633406496 /nfs/dbraw/zinc/40/64/96/633406496.db2.gz RGDWJFWJLLYXGX-CQSZACIVSA-N 0 3 295.386 2.931 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cc(CC=C)c(O)c(OC)c2)C1 ZINC000848923634 633406677 /nfs/dbraw/zinc/40/66/77/633406677.db2.gz HQQMEEIRTKXXII-CQSZACIVSA-N 0 3 285.387 2.975 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(O)c(OCC)c2)C1 ZINC000848924449 633407735 /nfs/dbraw/zinc/40/77/35/633407735.db2.gz SPGPZVUZKDSAFY-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C[C@H](CC/N=C/c1cc(Br)ccc1[O-])[NH+](C)C ZINC000849170145 633578080 /nfs/dbraw/zinc/57/80/80/633578080.db2.gz LMNXUSFHZREZPE-KXUVPBGPSA-N 0 3 299.212 2.914 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=S)NC1CCN(C)CC1 ZINC000849269292 633599748 /nfs/dbraw/zinc/59/97/48/633599748.db2.gz WTJLWHITJVSNAH-UKRRQHHQSA-N 0 3 295.496 2.680 20 30 CFEDHN C=CCCn1cc(CNCC[C@@]2(C)C[C@]2(F)Cl)nn1 ZINC000850338642 633944899 /nfs/dbraw/zinc/94/48/99/633944899.db2.gz JVHKGMQLCLIFIY-QWHCGFSZSA-N 0 3 286.782 2.649 20 30 CFEDHN C=CCCn1cc(CNCC[C@]2(C)C[C@]2(F)Cl)nn1 ZINC000850338636 633945009 /nfs/dbraw/zinc/94/50/09/633945009.db2.gz JVHKGMQLCLIFIY-CHWSQXEVSA-N 0 3 286.782 2.649 20 30 CFEDHN N#Cc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)s1 ZINC000850378590 633966767 /nfs/dbraw/zinc/96/67/67/633966767.db2.gz KHDBOYBLKIMZJG-NEPJUHHUSA-N 0 3 284.331 2.524 20 30 CFEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC(C)C)cc1C ZINC000850761113 634081781 /nfs/dbraw/zinc/08/17/81/634081781.db2.gz HHJWVBZIVHIYTQ-ARFHVFGLSA-N 0 3 298.386 2.640 20 30 CFEDHN CC([C@@H](OC(=O)[C@H](C)CC#N)c1ccccc1F)[N+](=O)[O-] ZINC000851108869 634226225 /nfs/dbraw/zinc/22/62/25/634226225.db2.gz QLJFZBPHHOMTQZ-GIPNMCIBSA-N 0 3 294.282 2.625 20 30 CFEDHN C[C@H](CC(C)(C)C#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000851204014 634268668 /nfs/dbraw/zinc/26/86/68/634268668.db2.gz INSUDFGIAYBCPV-GFCCVEGCSA-N 0 3 278.396 2.732 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852779892 634833449 /nfs/dbraw/zinc/83/34/49/634833449.db2.gz GMKXTQWZTGXCHP-IUODEOHRSA-N 0 3 261.365 2.599 20 30 CFEDHN CCCCCCCCCCC(=O)N1CCOC2(CNC2)C1 ZINC000853245486 634950332 /nfs/dbraw/zinc/95/03/32/634950332.db2.gz WGKJPFLHVMRXBZ-UHFFFAOYSA-N 0 3 296.455 2.718 20 30 CFEDHN CC(C)CON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853323350 634968408 /nfs/dbraw/zinc/96/84/08/634968408.db2.gz VQXDDLHPPBQVMN-UHFFFAOYSA-N 0 3 276.380 2.654 20 30 CFEDHN C#CCCCOc1cccnc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000853435282 634998516 /nfs/dbraw/zinc/99/85/16/634998516.db2.gz JMPBSXWTNAEGFK-GJZGRUSLSA-N 0 3 299.418 2.911 20 30 CFEDHN CCN1CCCN(c2snc(Cl)c2C#N)[C@@H](C)C1 ZINC000853686968 635074756 /nfs/dbraw/zinc/07/47/56/635074756.db2.gz ONEPFLAYECQHDD-VIFPVBQESA-N 0 3 284.816 2.589 20 30 CFEDHN C[C@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000112149118 635286843 /nfs/dbraw/zinc/28/68/43/635286843.db2.gz BYFZOYXEJZJNHR-CJNGLKHVSA-N 0 3 298.386 2.633 20 30 CFEDHN C#CCOc1ccc(CN[C@H](C)c2ccncc2)cc1 ZINC000113312537 635531588 /nfs/dbraw/zinc/53/15/88/635531588.db2.gz FWCBVQXQASMOKL-CQSZACIVSA-N 0 3 266.344 2.944 20 30 CFEDHN C=CCCONC(=O)c1oc2ccccc2c1CN(C)C ZINC000856032168 635707720 /nfs/dbraw/zinc/70/77/20/635707720.db2.gz JHAWXGNNBBSYSC-UHFFFAOYSA-N 0 3 288.347 2.732 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](CCCC)C(C)C ZINC000857720908 636016495 /nfs/dbraw/zinc/01/64/95/636016495.db2.gz BMRZHXXNGQKRFJ-HNNXBMFYSA-N 0 3 266.429 2.520 20 30 CFEDHN C#CC[C@H](CCOC)NCc1nc2ccccc2n1CC ZINC000858333300 636193411 /nfs/dbraw/zinc/19/34/11/636193411.db2.gz BPLLHNCLBYICBP-CQSZACIVSA-N 0 3 285.391 2.574 20 30 CFEDHN C#CC[C@@H](COC)NCc1cc2ccccc2c(OC)c1 ZINC000858334293 636194737 /nfs/dbraw/zinc/19/47/37/636194737.db2.gz LJXSASKIFPKLOL-INIZCTEOSA-N 0 3 283.371 2.976 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(OCC(C)C)cc1 ZINC000858335102 636195406 /nfs/dbraw/zinc/19/54/06/636195406.db2.gz MMALETSXZXAJIY-MRXNPFEDSA-N 0 3 275.392 2.849 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000858334705 636195635 /nfs/dbraw/zinc/19/56/35/636195635.db2.gz XTDAZTGIBIYVJM-UMVBOHGHSA-N 0 3 261.365 2.921 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(OCC2CC2)cc1 ZINC000858335565 636195664 /nfs/dbraw/zinc/19/56/64/636195664.db2.gz YODVDINPZGIHCE-INIZCTEOSA-N 0 3 273.376 2.603 20 30 CFEDHN C#CC[C@@H](COC)NCc1cc2cc(OC)ccc2o1 ZINC000858335170 636196248 /nfs/dbraw/zinc/19/62/48/636196248.db2.gz MPZWIWCZOBSQGX-ZDUSSCGKSA-N 0 3 273.332 2.569 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cc(Cl)ccc1OC ZINC000858334744 636196308 /nfs/dbraw/zinc/19/63/08/636196308.db2.gz YKXXYJGPYVFVNE-CQSZACIVSA-N 0 3 281.783 2.867 20 30 CFEDHN C#CCCOC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000858892522 636374381 /nfs/dbraw/zinc/37/43/81/636374381.db2.gz YEZQKXUPXAJHDH-INIZCTEOSA-N 0 3 286.375 2.573 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)COC)c([O-])c1 ZINC000194469455 636780896 /nfs/dbraw/zinc/78/08/96/636780896.db2.gz VFRMGJFQJUQLDG-HNEYUBDGSA-N 0 3 278.396 2.940 20 30 CFEDHN C=C1CCC(C(=O)N[C@@H]2CCN(CC=C(C)C)C2)CC1 ZINC001015655524 651207715 /nfs/dbraw/zinc/20/77/15/651207715.db2.gz RJMGBOSULLURTB-MRXNPFEDSA-N 0 3 276.424 2.890 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)C(F)(F)F ZINC000860468048 636892626 /nfs/dbraw/zinc/89/26/26/636892626.db2.gz HYILLQCJEODFBC-ONGXEEELSA-N 0 3 298.264 2.922 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000188318490 650323016 /nfs/dbraw/zinc/32/30/16/650323016.db2.gz FTMUEBHRHCXXFX-YOEHRIQHSA-N 0 3 273.376 2.555 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2c(OC)cc(OC)cc2OC)C1 ZINC000862442984 637381849 /nfs/dbraw/zinc/38/18/49/637381849.db2.gz KAOGTRFPVLCIFE-CYBMUJFWSA-N 0 3 289.375 2.558 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000862447523 637387337 /nfs/dbraw/zinc/38/73/37/637387337.db2.gz NOTYQDFCWGPQMB-GFCCVEGCSA-N 0 3 277.339 2.688 20 30 CFEDHN Cn1ccnc1NN=C1c2ccccc2CC[C@H]1F ZINC000863109545 637558898 /nfs/dbraw/zinc/55/88/98/637558898.db2.gz RZIWDCYWWPQPGC-GFCCVEGCSA-N 0 3 258.300 2.521 20 30 CFEDHN CCOc1ccc(C=NNc2ccnc(C)c2)cc1OC ZINC000863159015 637573201 /nfs/dbraw/zinc/57/32/01/637573201.db2.gz ZQVGBJUTBCLHBN-UHFFFAOYSA-N 0 3 285.347 2.665 20 30 CFEDHN Cc1cc(NN=Cc2cnc(CC(C)C)s2)ccn1 ZINC000863159356 637573951 /nfs/dbraw/zinc/57/39/51/637573951.db2.gz NHCYPLGCPRPSPE-UHFFFAOYSA-N 0 3 274.393 2.913 20 30 CFEDHN COc1cc2c(cc1F)CCC2=NNc1ccnc(C)c1 ZINC000863159415 637574160 /nfs/dbraw/zinc/57/41/60/637574160.db2.gz QDKHBTUIZLTROK-UHFFFAOYSA-N 0 3 285.322 2.722 20 30 CFEDHN Cc1cc(NN=C2c3ccccc3C[C@H]2C)ccn1 ZINC000863159513 637574439 /nfs/dbraw/zinc/57/44/39/637574439.db2.gz VDMQXYFPWCQNAB-LLVKDONJSA-N 0 3 251.333 2.820 20 30 CFEDHN Fc1ccc(N=NC2CN3C[C@@H]2CCC3)cc1Cl ZINC000863179029 637579923 /nfs/dbraw/zinc/57/99/23/637579923.db2.gz NWDSCUKIPHTGAI-VIFPVBQESA-N 0 3 267.735 2.973 20 30 CFEDHN C#CCN(CCOCC(F)F)[C@H]1CCc2ccccc21 ZINC000188875752 650349024 /nfs/dbraw/zinc/34/90/24/650349024.db2.gz WSYAYZVPKXVCLK-HNNXBMFYSA-N 0 3 279.330 2.891 20 30 CFEDHN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000119552177 637708432 /nfs/dbraw/zinc/70/84/32/637708432.db2.gz BPBQYGQDIRMKTA-HNNXBMFYSA-N 0 3 298.386 2.686 20 30 CFEDHN CCN(CC)c1ccc(C=[NH+]Cc2ccc[nH]c2=O)c([O-])c1 ZINC000864345819 637946952 /nfs/dbraw/zinc/94/69/52/637946952.db2.gz GYPDYAZCDOXHDM-WOJGMQOQSA-N 0 3 299.374 2.958 20 30 CFEDHN C#CCCCCNCc1cccnc1Br ZINC000865491768 638376467 /nfs/dbraw/zinc/37/64/67/638376467.db2.gz QJNOCOTZKYROTK-UHFFFAOYSA-N 0 3 267.170 2.737 20 30 CFEDHN N#CCC1(CNCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865550594 638416104 /nfs/dbraw/zinc/41/61/04/638416104.db2.gz BTVUFRGPYAPRAD-UHFFFAOYSA-N 0 3 297.402 2.706 20 30 CFEDHN CN1Cc2ccccc2[C@H]1CNCc1ccc(C#N)cc1F ZINC000865806214 638583955 /nfs/dbraw/zinc/58/39/55/638583955.db2.gz NJYPYBSTKNKICE-GOSISDBHSA-N 0 3 295.361 2.974 20 30 CFEDHN CCCN1CC[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865949645 638672660 /nfs/dbraw/zinc/67/26/60/638672660.db2.gz WVSDNOUZIBRTHU-NSHDSACASA-N 0 3 292.314 2.502 20 30 CFEDHN C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000866280919 638788544 /nfs/dbraw/zinc/78/85/44/638788544.db2.gz CPLCBZWNRZYGQK-CFVMTHIKSA-N 0 3 287.407 2.787 20 30 CFEDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000866280921 638788589 /nfs/dbraw/zinc/78/85/89/638788589.db2.gz CPLCBZWNRZYGQK-NWANDNLSSA-N 0 3 287.407 2.787 20 30 CFEDHN C[C@H](NCC(C)(C)F)c1ccc(OCC#N)cc1 ZINC000866408039 638816298 /nfs/dbraw/zinc/81/62/98/638816298.db2.gz FSONVQAWONMNLJ-NSHDSACASA-N 0 3 250.317 2.988 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1cccs1 ZINC000121611369 638878191 /nfs/dbraw/zinc/87/81/91/638878191.db2.gz IUIPBGHDOVRCNM-NWDGAFQWSA-N 0 3 292.404 2.867 20 30 CFEDHN C[C@H](NC(=O)c1coc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000867469860 638880000 /nfs/dbraw/zinc/88/00/00/638880000.db2.gz IIKVEVRCRKAKPP-BLLLJJGKSA-N 0 3 297.358 2.572 20 30 CFEDHN CCc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121737826 638889352 /nfs/dbraw/zinc/88/93/52/638889352.db2.gz CQRZJXPTHNOTFG-MLGOLLRUSA-N 0 3 298.386 2.730 20 30 CFEDHN CC1(C)[C@H](N)c2ccccc2N1C(=O)CCCCC#N ZINC000867987293 638911395 /nfs/dbraw/zinc/91/13/95/638911395.db2.gz JVRARWQHBGNKER-OAHLLOKOSA-N 0 3 271.364 2.896 20 30 CFEDHN C#CCCCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000191164090 650481774 /nfs/dbraw/zinc/48/17/74/650481774.db2.gz HWKXPKPKZWZBDI-MRXNPFEDSA-N 0 3 271.360 2.608 20 30 CFEDHN CC(C)N1CCCC[C@@H]1COC(=O)c1coc(C#N)c1 ZINC000870007528 639497401 /nfs/dbraw/zinc/49/74/01/639497401.db2.gz RSRDAQRKRGWQKC-CYBMUJFWSA-N 0 3 276.336 2.571 20 30 CFEDHN Cc1cccc(CO[C@@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000870288264 639582127 /nfs/dbraw/zinc/58/21/27/639582127.db2.gz OUJUJIDVYJZJMM-DZGCQCFKSA-N 0 3 295.342 2.567 20 30 CFEDHN C#CCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000192095637 650538328 /nfs/dbraw/zinc/53/83/28/650538328.db2.gz DCBVZWKMRHTXOD-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000123601577 641314734 /nfs/dbraw/zinc/31/47/34/641314734.db2.gz IZKASEUYAGNPCI-CJNGLKHVSA-N 0 3 298.386 2.948 20 30 CFEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccoc1 ZINC000193397410 650650230 /nfs/dbraw/zinc/65/02/30/650650230.db2.gz QCFZTDMJEDQRNF-GFCCVEGCSA-N 0 3 288.690 2.894 20 30 CFEDHN CC(=O)[C@](C#N)(CCSCCN(C)C)c1ccccc1 ZINC000871658316 641386419 /nfs/dbraw/zinc/38/64/19/641386419.db2.gz SDSJRGGLGFSFGX-MRXNPFEDSA-N 0 3 290.432 2.722 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062578 641593953 /nfs/dbraw/zinc/59/39/53/641593953.db2.gz NIVQJADHGXUUHI-GHMZBOCLSA-N 0 3 296.392 2.904 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000873134339 642024376 /nfs/dbraw/zinc/02/43/76/642024376.db2.gz PLOIRSYZOLPJBQ-QWHCGFSZSA-N 0 3 273.336 2.994 20 30 CFEDHN C=CC(C)(C)CCCNCc1cn(Cc2cccnc2)nn1 ZINC000873152023 642033114 /nfs/dbraw/zinc/03/31/14/642033114.db2.gz WHGHONXCUDWRKU-UHFFFAOYSA-N 0 3 299.422 2.803 20 30 CFEDHN C=C(Br)CNC1Cc2ccccc2C1 ZINC000125113640 642438797 /nfs/dbraw/zinc/43/87/97/642438797.db2.gz QQBKNCLNHAAAHY-UHFFFAOYSA-N 0 3 252.155 2.652 20 30 CFEDHN C=C(Br)CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000125199455 642540586 /nfs/dbraw/zinc/54/05/86/642540586.db2.gz LGEPWEJUSSKJHO-GXSJLCMTSA-N 0 3 262.191 2.688 20 30 CFEDHN CCCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000875765109 642683974 /nfs/dbraw/zinc/68/39/74/642683974.db2.gz FTQNERLKUGGGCW-OAHLLOKOSA-N 0 3 279.428 2.613 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)C1CCCCC1 ZINC000876546980 642914895 /nfs/dbraw/zinc/91/48/95/642914895.db2.gz COXXMQIYKRLPBR-GFCCVEGCSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC000876561101 642922971 /nfs/dbraw/zinc/92/29/71/642922971.db2.gz LKEKIJWDCMZFKT-HZMBPMFUSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1ccc(F)cc1 ZINC000876560203 642923169 /nfs/dbraw/zinc/92/31/69/642923169.db2.gz FTPJLPLBKSKWQG-LBPRGKRZSA-N 0 3 270.735 2.649 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2[C@H](C)C1 ZINC000876561103 642923261 /nfs/dbraw/zinc/92/32/61/642923261.db2.gz LKEKIJWDCMZFKT-QMTHXVAHSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1ccc(C)cc1 ZINC000876577906 642931449 /nfs/dbraw/zinc/93/14/49/642931449.db2.gz UIPHZYWPNSMQRR-ZDUSSCGKSA-N 0 3 266.772 2.818 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(F)c1C ZINC000876580985 642933388 /nfs/dbraw/zinc/93/33/88/642933388.db2.gz WDWNJEAURIIBBI-JTQLQIEISA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000876585505 642934342 /nfs/dbraw/zinc/93/43/42/642934342.db2.gz MUUOAXDCDQMGPQ-GFCCVEGCSA-N 0 3 284.812 2.709 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000876591449 642936832 /nfs/dbraw/zinc/93/68/32/642936832.db2.gz LJCYZYKTYRJKKQ-NWDGAFQWSA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000876591911 642937303 /nfs/dbraw/zinc/93/73/03/642937303.db2.gz CLPDMHFOEXUDGY-GJZGRUSLSA-N 0 3 292.810 2.548 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(OC)c1C ZINC000876597170 642939897 /nfs/dbraw/zinc/93/98/97/642939897.db2.gz MAIXEBSGCHQPMI-NSHDSACASA-N 0 3 282.771 2.720 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc2c(s1)CCCC2 ZINC000876607941 642942929 /nfs/dbraw/zinc/94/29/29/642942929.db2.gz VAXJIMXDAAKRJR-LBPRGKRZSA-N 0 3 298.839 2.713 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000876637597 642953592 /nfs/dbraw/zinc/95/35/92/642953592.db2.gz PTIIAQRLXFYWED-JSGCOSHPSA-N 0 3 294.826 2.939 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(OC)ccc1OCC ZINC000876646036 642957397 /nfs/dbraw/zinc/95/73/97/642957397.db2.gz PYZWUHQQFKJUCQ-NSHDSACASA-N 0 3 298.770 2.502 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000876647179 642957459 /nfs/dbraw/zinc/95/74/59/642957459.db2.gz IIWZNIWXGKSNNA-AVGNSLFASA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000876648637 642958410 /nfs/dbraw/zinc/95/84/10/642958410.db2.gz VEHAYYGIKBUENL-GXFFZTMASA-N 0 3 278.783 2.682 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000876657425 642960799 /nfs/dbraw/zinc/96/07/99/642960799.db2.gz NIZGYUMVWSBBRC-UHTWSYAYSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000876663486 642962619 /nfs/dbraw/zinc/96/26/19/642962619.db2.gz WFCSADBOMRLHIV-HERUPUMHSA-N 0 3 278.783 2.506 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000876676143 642968167 /nfs/dbraw/zinc/96/81/67/642968167.db2.gz SPCXRHBPMUOLQW-HZMBPMFUSA-N 0 3 296.773 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1SCC ZINC000876688932 642973955 /nfs/dbraw/zinc/97/39/55/642973955.db2.gz PRWGUEWXHXJTHU-QJPTWQEYSA-N 0 3 290.860 2.637 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC(C(C)C)CC1 ZINC000876692585 642977191 /nfs/dbraw/zinc/97/71/91/642977191.db2.gz CNFOGGHINVEJAZ-WXRRBKDZSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)CC(C)C ZINC000876703163 642979843 /nfs/dbraw/zinc/97/98/43/642979843.db2.gz WGVFQXRIVQLKBC-LLVKDONJSA-N 0 3 260.809 2.645 20 30 CFEDHN C#CCCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000876762168 642998058 /nfs/dbraw/zinc/99/80/58/642998058.db2.gz ASEZUUPBCWXBKF-LBPRGKRZSA-N 0 3 263.303 2.569 20 30 CFEDHN CN1CCN(c2ccc(NC3CCC(C#N)CC3)cc2)CC1 ZINC000876838825 643034755 /nfs/dbraw/zinc/03/47/55/643034755.db2.gz OBPZISYWSGMGOA-UHFFFAOYSA-N 0 3 298.434 2.933 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000876882338 643049917 /nfs/dbraw/zinc/04/99/17/643049917.db2.gz GOUDNUOFMVJXAU-JLLWLGSASA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCC(C)(C)CC1 ZINC000876897563 643056962 /nfs/dbraw/zinc/05/69/62/643056962.db2.gz DZCGIJRPNISPKD-GFCCVEGCSA-N 0 3 272.820 2.789 20 30 CFEDHN C[C@@H](CN1CCCCC1)NCc1cc(C#N)cnc1Cl ZINC000876926893 643067725 /nfs/dbraw/zinc/06/77/25/643067725.db2.gz JZUYXLWIBVKARS-LBPRGKRZSA-N 0 3 292.814 2.571 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCc2c(C)cccc21 ZINC000876977463 643090052 /nfs/dbraw/zinc/09/00/52/643090052.db2.gz YOGNYGSJTGFRFJ-LSDHHAIUSA-N 0 3 292.810 2.959 20 30 CFEDHN CCCCCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000876987606 643093887 /nfs/dbraw/zinc/09/38/87/643093887.db2.gz CDYCKIGBWFMLAT-CKEIUWERSA-N 0 3 296.455 2.606 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000876996461 643098718 /nfs/dbraw/zinc/09/87/18/643098718.db2.gz UULRYWDGMZNYQM-CYBMUJFWSA-N 0 3 274.364 2.581 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877069291 643133564 /nfs/dbraw/zinc/13/35/64/643133564.db2.gz ZQULMYHDERIBGH-WFASDCNBSA-N 0 3 293.798 2.900 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000877082465 643141727 /nfs/dbraw/zinc/14/17/27/643141727.db2.gz VERMYYQFXBTSJM-SECBINFHSA-N 0 3 298.736 2.695 20 30 CFEDHN COCCC1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877084608 643143780 /nfs/dbraw/zinc/14/37/80/643143780.db2.gz HRZXPUFYOYVBEI-UHFFFAOYSA-N 0 3 293.798 2.903 20 30 CFEDHN CC1(C)C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877119594 643161219 /nfs/dbraw/zinc/16/12/19/643161219.db2.gz INNIJTMSZQYMFQ-GFCCVEGCSA-N 0 3 279.771 2.654 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C[C@H](C)O1 ZINC000877126225 643164835 /nfs/dbraw/zinc/16/48/35/643164835.db2.gz GTIVGCKEMOKEPG-DDFAGTSDSA-N 0 3 279.771 2.652 20 30 CFEDHN CC(C)[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877135812 643170517 /nfs/dbraw/zinc/17/05/17/643170517.db2.gz NMJUWVVZPNWTMD-KGLIPLIRSA-N 0 3 293.798 2.900 20 30 CFEDHN C=C(Cl)CNCC1(C)CCN(C(=O)OCC)CC1 ZINC000877149077 643178601 /nfs/dbraw/zinc/17/86/01/643178601.db2.gz DROCQVVFGCCXQL-UHFFFAOYSA-N 0 3 274.792 2.587 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)cc(OC)c1C ZINC000877196404 643198974 /nfs/dbraw/zinc/19/89/74/643198974.db2.gz ZGKXCUGHQOXMEQ-NSHDSACASA-N 0 3 282.771 2.720 20 30 CFEDHN CC(C)(C)c1ccc(CNC(=O)[C@@H](N)CCCC#N)s1 ZINC000877306377 643228595 /nfs/dbraw/zinc/22/85/95/643228595.db2.gz PDNYIJLUIKASOK-LBPRGKRZSA-N 0 3 293.436 2.683 20 30 CFEDHN C[C@@H]1C[C@@H](CCNCc2cc(C#N)cnc2Cl)CCO1 ZINC000877309517 643230958 /nfs/dbraw/zinc/23/09/58/643230958.db2.gz MNRNNHALFQCCFU-NEPJUHHUSA-N 0 3 293.798 2.901 20 30 CFEDHN C[C@H]1C[C@H](CCNCc2cc(C#N)cnc2Cl)CCO1 ZINC000877309518 643231120 /nfs/dbraw/zinc/23/11/20/643231120.db2.gz MNRNNHALFQCCFU-NWDGAFQWSA-N 0 3 293.798 2.901 20 30 CFEDHN CCOC(=O)N1CCC(C)(CN[C@@H](CC)CC#N)CC1 ZINC000877365089 643248099 /nfs/dbraw/zinc/24/80/99/643248099.db2.gz OJPCRAXLTNLMAE-ZDUSSCGKSA-N 0 3 281.400 2.527 20 30 CFEDHN C#CCCCCCCNCc1ncnn1-c1ccccc1 ZINC000877483808 643299562 /nfs/dbraw/zinc/29/95/62/643299562.db2.gz PXNSPVFBLWAYIF-UHFFFAOYSA-N 0 3 282.391 2.941 20 30 CFEDHN CCC(CC)(CNCCC#N)CNC(=O)OC(C)(C)C ZINC000877483854 643299574 /nfs/dbraw/zinc/29/95/74/643299574.db2.gz QZIBHXBLSJERHQ-UHFFFAOYSA-N 0 3 283.416 2.821 20 30 CFEDHN C#C[C@@H](C)NCc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000877514429 643320004 /nfs/dbraw/zinc/32/00/04/643320004.db2.gz NMDMEJZFOQFIHQ-CYBMUJFWSA-N 0 3 288.391 2.823 20 30 CFEDHN CC(C)[C@@H]1C[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877568864 643367616 /nfs/dbraw/zinc/36/76/16/643367616.db2.gz CCEKJYUUBUUABZ-AAEUAGOBSA-N 0 3 263.772 2.988 20 30 CFEDHN C[C@@H]1C[C@H](CNCc2cc(C#N)cnc2Cl)[C@H](C)O1 ZINC000877589531 643383666 /nfs/dbraw/zinc/38/36/66/643383666.db2.gz PTXJOLFTVHUYAY-JFGNBEQYSA-N 0 3 279.771 2.510 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cnc(CCOC)s2)C1 ZINC000877604674 643392474 /nfs/dbraw/zinc/39/24/74/643392474.db2.gz FSCLZOBUQGDIDQ-CYBMUJFWSA-N 0 3 278.421 2.567 20 30 CFEDHN C[C@@H](Cc1ccccn1)NCc1cc(C#N)cnc1Cl ZINC000877618460 643405431 /nfs/dbraw/zinc/40/54/31/643405431.db2.gz VKXMHLXFQAMJTN-NSHDSACASA-N 0 3 286.766 2.722 20 30 CFEDHN N#CCCn1cc(CNC2CSC2)c(-c2ccccc2)n1 ZINC000877635442 643419254 /nfs/dbraw/zinc/41/92/54/643419254.db2.gz RCUVTKCABNBGSH-UHFFFAOYSA-N 0 3 298.415 2.669 20 30 CFEDHN C#CCCOc1ccc(CN2CC(COC)(C3CC3)C2)cc1 ZINC000877685731 643454787 /nfs/dbraw/zinc/45/47/87/643454787.db2.gz GINBKULAVLHINH-UHFFFAOYSA-N 0 3 299.414 2.947 20 30 CFEDHN COc1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)cc1C#N ZINC000877741990 643513921 /nfs/dbraw/zinc/51/39/21/643513921.db2.gz XCWNJLJGEMCQSA-HIFRSBDPSA-N 0 3 288.416 2.752 20 30 CFEDHN CCN(CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000877953697 643660990 /nfs/dbraw/zinc/66/09/90/643660990.db2.gz BHZFDQPCCAOFAO-KRWDZBQOSA-N 0 3 270.376 2.911 20 30 CFEDHN C=CC[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000878252853 643809887 /nfs/dbraw/zinc/80/98/87/643809887.db2.gz WVWWDIWPUOTVCQ-WBVHZDCISA-N 0 3 269.392 2.833 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C(C)C)CC2)cc1 ZINC000127025359 643823041 /nfs/dbraw/zinc/82/30/41/643823041.db2.gz PUHALWNNYYVXAK-UHFFFAOYSA-N 0 3 286.419 2.615 20 30 CFEDHN CC1(C#N)CCN(C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878389815 643868518 /nfs/dbraw/zinc/86/85/18/643868518.db2.gz VNFCXLAWJJOHGN-OAHLLOKOSA-N 0 3 292.423 2.588 20 30 CFEDHN C=CC[C@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000878390626 643869642 /nfs/dbraw/zinc/86/96/42/643869642.db2.gz VQNHDDHUUNTUOS-WMLDXEAASA-N 0 3 287.382 2.973 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878886351 644061426 /nfs/dbraw/zinc/06/14/26/644061426.db2.gz GZLJQJITMCHZSQ-CVEARBPZSA-N 0 3 292.423 2.588 20 30 CFEDHN Cc1cccc(C(=O)NC2CCN([C@@H](C)CCC#N)CC2)c1 ZINC000879350930 644240727 /nfs/dbraw/zinc/24/07/27/644240727.db2.gz WCICJMOXXLZWEE-HNNXBMFYSA-N 0 3 299.418 2.882 20 30 CFEDHN CC1(F)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000879381086 644250029 /nfs/dbraw/zinc/25/00/29/644250029.db2.gz NBONSOSNCHIUHU-UHFFFAOYSA-N 0 3 262.328 2.913 20 30 CFEDHN N#CCCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499047 644292481 /nfs/dbraw/zinc/29/24/81/644292481.db2.gz ICCCXIDIGFYJBC-OAHLLOKOSA-N 0 3 270.380 2.560 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)CC(CC)CC)c1 ZINC000092143881 650914955 /nfs/dbraw/zinc/91/49/55/650914955.db2.gz UIKMXDJEFQPLLA-UHFFFAOYSA-N 0 3 272.392 2.974 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000879995932 644486457 /nfs/dbraw/zinc/48/64/57/644486457.db2.gz KANMYYOEJCUGMS-INWMFGNUSA-N 0 3 274.339 2.971 20 30 CFEDHN C=CCCCCN1CCO[C@@H](C(F)(F)F)CC1 ZINC000880050239 644513876 /nfs/dbraw/zinc/51/38/76/644513876.db2.gz LLOUOLPZLHESGQ-LLVKDONJSA-N 0 3 251.292 2.996 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880103044 644534145 /nfs/dbraw/zinc/53/41/45/644534145.db2.gz JFVOUZIJZHKZQX-GXSJLCMTSA-N 0 3 274.286 2.688 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001007266655 650930412 /nfs/dbraw/zinc/93/04/12/650930412.db2.gz UKRUBWLRXFUNIT-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](CF)C1)c1ccccc1 ZINC000880300707 644640894 /nfs/dbraw/zinc/64/08/94/644640894.db2.gz HPXYZWGENHKCLO-RDJZCZTQSA-N 0 3 288.366 2.718 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccccc2OC2CC2)CC1 ZINC000880484242 644732030 /nfs/dbraw/zinc/73/20/30/644732030.db2.gz SKUQTQZQGONYHT-UHFFFAOYSA-N 0 3 285.387 2.578 20 30 CFEDHN C#CCC1(O)CCN(Cc2c(C)cccc2Cl)CC1 ZINC000880483920 644732677 /nfs/dbraw/zinc/73/26/77/644732677.db2.gz MUOBTGOTYCLCJX-UHFFFAOYSA-N 0 3 277.795 2.999 20 30 CFEDHN C#CCC1(O)CCN(CCCc2c(F)cccc2F)CC1 ZINC000880482704 644732804 /nfs/dbraw/zinc/73/28/04/644732804.db2.gz OOTNHDIYCNJZNU-UHFFFAOYSA-N 0 3 293.357 2.748 20 30 CFEDHN C=CCC[C@@H](NCc1ccn(C)n1)[C@@H]1Cc2ccccc2O1 ZINC000883208211 645665537 /nfs/dbraw/zinc/66/55/37/645665537.db2.gz BDQFSFOAFWDWNB-AEFFLSMTSA-N 0 3 297.402 2.848 20 30 CFEDHN C=CCC[C@@H](NCc1ccc(C#N)cn1)[C@@H]1CCCO1 ZINC000883217333 645670882 /nfs/dbraw/zinc/67/08/82/645670882.db2.gz GTXKSQLDFFIMLW-CVEARBPZSA-N 0 3 271.364 2.557 20 30 CFEDHN C=CCC[C@@H](NCc1ncccc1OC)[C@H]1CCCO1 ZINC000883226999 645677491 /nfs/dbraw/zinc/67/74/91/645677491.db2.gz JLNXKBBBSCMOLP-CZUORRHYSA-N 0 3 276.380 2.694 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(-c3ccccn3)n2)C1 ZINC000883293637 645726200 /nfs/dbraw/zinc/72/62/00/645726200.db2.gz APBBQBIGMKYRCM-UONOGXRCSA-N 0 3 293.374 2.711 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@@H](COC)C1 ZINC000883316086 645734445 /nfs/dbraw/zinc/73/44/45/645734445.db2.gz JPNQFGCESNQVCO-BETUJISGSA-N 0 3 293.794 2.867 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC[C@H](C)CCC)CC1 ZINC000883343256 645752750 /nfs/dbraw/zinc/75/27/50/645752750.db2.gz GRTPJNQWVAXHKD-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@]2(C)CC2(C)C)CC1 ZINC000883342336 645752891 /nfs/dbraw/zinc/75/28/91/645752891.db2.gz SVNFTTPYCWKDMX-KRWDZBQOSA-N 0 3 293.455 2.762 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(OC)cc1F ZINC000883389176 645786821 /nfs/dbraw/zinc/78/68/21/645786821.db2.gz LWZIJBZFKMXENG-NEPJUHHUSA-N 0 3 267.344 2.812 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cccnc1Cl ZINC000883390384 645789259 /nfs/dbraw/zinc/78/92/59/645789259.db2.gz LAFREIFNEOREFA-WDEREUQCSA-N 0 3 254.761 2.713 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000883391816 645791083 /nfs/dbraw/zinc/79/10/83/645791083.db2.gz SDGUPKKPTRJHGE-PWSUYJOCSA-N 0 3 299.212 2.822 20 30 CFEDHN CCc1cccc(C)c1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884044680 646146500 /nfs/dbraw/zinc/14/65/00/646146500.db2.gz QTRPILPQORKTEQ-SWKXRBFHSA-N 0 3 297.402 2.635 20 30 CFEDHN CCCc1ccccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884068194 646195698 /nfs/dbraw/zinc/19/56/98/646195698.db2.gz HGXJCDMUZPMONP-CSLYMUCUSA-N 0 3 297.402 2.717 20 30 CFEDHN CC(C)(C)[C@@H](Cn1ccnc1)NCc1ccc(C#N)o1 ZINC000135159543 646480614 /nfs/dbraw/zinc/48/06/14/646480614.db2.gz UNSGEVKNNIPVGI-CQSZACIVSA-N 0 3 272.352 2.552 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2cccnc2)CCC1 ZINC000886089949 646862134 /nfs/dbraw/zinc/86/21/34/646862134.db2.gz NHPDUMGQGBRYOK-HZPDHXFCSA-N 0 3 285.391 2.663 20 30 CFEDHN Cc1ccc2c(c1)CN(C[C@H](O)CC1(C#N)CCC1)CC2 ZINC000886277097 646947120 /nfs/dbraw/zinc/94/71/20/646947120.db2.gz GWIOGSBXRXKHSX-QGZVFWFLSA-N 0 3 284.403 2.798 20 30 CFEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2nnc(CSC)[n-]2)C1 ZINC000886325909 646970199 /nfs/dbraw/zinc/97/01/99/646970199.db2.gz VGWGZUYKNAOQHI-WDEREUQCSA-N 0 3 266.414 2.502 20 30 CFEDHN C#CCSCCNCc1cc(Cl)ccc1OC ZINC000219221334 646985934 /nfs/dbraw/zinc/98/59/34/646985934.db2.gz HCMXRFYOQKPJQN-UHFFFAOYSA-N 0 3 269.797 2.805 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000886353484 646983336 /nfs/dbraw/zinc/98/33/36/646983336.db2.gz KCEJIGVSHCKYPD-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cncn2Cc2ccccc2)C1 ZINC000886364066 646988531 /nfs/dbraw/zinc/98/85/31/646988531.db2.gz NNCQPKTXGQUASZ-MRXNPFEDSA-N 0 3 279.387 2.777 20 30 CFEDHN C#CC[C@H]1CC[N@@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000886366194 646989529 /nfs/dbraw/zinc/98/95/29/646989529.db2.gz ZEWSPQCPLLEGRQ-AWEZNQCLSA-N 0 3 293.370 2.694 20 30 CFEDHN C#CC[C@H]1CC[N@H+](Cc2cc(=O)[n-]c(-c3ccccc3)n2)C1 ZINC000886366194 646989530 /nfs/dbraw/zinc/98/95/30/646989530.db2.gz ZEWSPQCPLLEGRQ-AWEZNQCLSA-N 0 3 293.370 2.694 20 30 CFEDHN CC(C)[C@H](NCc1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000886545887 647042006 /nfs/dbraw/zinc/04/20/06/647042006.db2.gz UVFRBSHGYYUHGD-KRWDZBQOSA-N 0 3 298.390 2.809 20 30 CFEDHN C#CCN(C(=O)C1CCC2(CC2)CC1)C1CCN(C)CC1 ZINC000886573470 647051140 /nfs/dbraw/zinc/05/11/40/647051140.db2.gz JRPWVANDGRKAHI-UHFFFAOYSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C(=O)CCCCC(C)C)C1CCN(C)CC1 ZINC000886574690 647051463 /nfs/dbraw/zinc/05/14/63/647051463.db2.gz OZFKUXJKPPQEDJ-UHFFFAOYSA-N 0 3 278.440 2.759 20 30 CFEDHN C#CCN(C(=O)C[C@@H](C)CC(C)C)C1CCN(C)CC1 ZINC000886582081 647053805 /nfs/dbraw/zinc/05/38/05/647053805.db2.gz FXUZEWVWHZCAQE-HNNXBMFYSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C(=O)c1cc(C)c(C)s1)C1CCN(C)CC1 ZINC000886584961 647055690 /nfs/dbraw/zinc/05/56/90/647055690.db2.gz ABSISBRFEXCYNX-UHFFFAOYSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN1CCC[C@@H](N[C@H](C)c2nc(C)sc2C)C1 ZINC000886660920 647095423 /nfs/dbraw/zinc/09/54/23/647095423.db2.gz ILMYENWRSNTVCD-BXUZGUMPSA-N 0 3 277.437 2.508 20 30 CFEDHN C#CCC1(NC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000886790054 647137431 /nfs/dbraw/zinc/13/74/31/647137431.db2.gz OOVJVULNMLSXOI-UHFFFAOYSA-N 0 3 296.414 2.958 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c1F ZINC000886821265 647152187 /nfs/dbraw/zinc/15/21/87/647152187.db2.gz AOLMGCSBIWPKNW-UKRRQHHQSA-N 0 3 274.339 2.698 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886821713 647152444 /nfs/dbraw/zinc/15/24/44/647152444.db2.gz GHYUVJMTEZESEC-RDJZCZTQSA-N 0 3 273.351 2.678 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]([C@H]3CCCO3)C2)c1F ZINC000886821263 647152718 /nfs/dbraw/zinc/15/27/18/647152718.db2.gz AOLMGCSBIWPKNW-DZGCQCFKSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCCO3)C2)cc1F ZINC000886822237 647154123 /nfs/dbraw/zinc/15/41/23/647154123.db2.gz OBBYKUKCFRHFBG-GOEBONIOSA-N 0 3 274.339 2.698 20 30 CFEDHN C#CCC1(NCc2ccc(C)nc2Cl)CCOCC1 ZINC000887120267 647218170 /nfs/dbraw/zinc/21/81/70/647218170.db2.gz ATSFNRKFJUARPE-UHFFFAOYSA-N 0 3 278.783 2.706 20 30 CFEDHN CCN1CC[C@H]1C/N=C/c1cc(Br)ccc1O ZINC000887270813 647254523 /nfs/dbraw/zinc/25/45/23/647254523.db2.gz URPZZVZLBHWZGR-AAWHYMEISA-N 0 3 297.196 2.668 20 30 CFEDHN COc1ccc(CN[C@@H](C)CC(C)(C)C#N)cc1O ZINC000924899781 648068733 /nfs/dbraw/zinc/06/87/33/648068733.db2.gz ICHYWGKTCSFSOY-NSHDSACASA-N 0 3 262.353 2.819 20 30 CFEDHN C=CCn1cc(CN[C@H]2[C@@H]3CCCC[C@@H]3C2(C)C)nn1 ZINC000926615892 648552170 /nfs/dbraw/zinc/55/21/70/648552170.db2.gz SQHWMKHTCSBVNP-ILXRZTDVSA-N 0 3 274.412 2.769 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926862136 648637582 /nfs/dbraw/zinc/63/75/82/648637582.db2.gz FKLYBIYQQIRQKA-GXFFZTMASA-N 0 3 253.317 2.509 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H]1CCc2c1nccc2Cl ZINC000926864778 648638548 /nfs/dbraw/zinc/63/85/48/648638548.db2.gz ONNLMZGWBJODNM-GXFFZTMASA-N 0 3 266.772 2.639 20 30 CFEDHN Cn1nc(C(F)(F)F)cc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000926926618 648660824 /nfs/dbraw/zinc/66/08/24/648660824.db2.gz CEFGQXLKCXKUBS-UWVGGRQHSA-N 0 3 286.301 2.611 20 30 CFEDHN C=C1CCC(CN[C@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000926924927 648661142 /nfs/dbraw/zinc/66/11/42/648661142.db2.gz GMELCBKSAULEIV-HNNXBMFYSA-N 0 3 283.379 2.625 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC000928439033 648911006 /nfs/dbraw/zinc/91/10/06/648911006.db2.gz GYOASBCEXJKTEG-CWRNSKLLSA-N 0 3 272.392 2.555 20 30 CFEDHN CN(Cc1cccc2ccccc21)C[C@H](O)CC#N ZINC000929284318 649023579 /nfs/dbraw/zinc/02/35/79/649023579.db2.gz BSUXHMASNINUIF-OAHLLOKOSA-N 0 3 254.333 2.546 20 30 CFEDHN C#CCN(CCCCCNC(C)=O)Cc1ccc(F)cc1 ZINC000929363449 649039161 /nfs/dbraw/zinc/03/91/61/649039161.db2.gz RCHTYMTWBPPPLF-UHFFFAOYSA-N 0 3 290.382 2.567 20 30 CFEDHN C=CC[C@@H]1CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000929563067 649069455 /nfs/dbraw/zinc/06/94/55/649069455.db2.gz KIQRWFZWBWEWDW-OAHLLOKOSA-N 0 3 273.380 2.931 20 30 CFEDHN N#CC1(CCCCN2CCC[C@@H]2C(=O)NC2CC2)CCC1 ZINC000929636914 649083611 /nfs/dbraw/zinc/08/36/11/649083611.db2.gz YVHHMMLNGUAOHH-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CC[C@@H](O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000929860601 649141015 /nfs/dbraw/zinc/14/10/15/649141015.db2.gz KELZCMFZEVFTAI-MSOLQXFVSA-N 0 3 280.371 2.835 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CCCC2)CC1 ZINC000929913666 649149271 /nfs/dbraw/zinc/14/92/71/649149271.db2.gz PQCXYNPOJNKJCP-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN N#CC1(CCCCN2CCOC[C@@H]2C2CC2)CCC1 ZINC000930130455 649191080 /nfs/dbraw/zinc/19/10/80/649191080.db2.gz MOPZESRCVIRBBJ-OAHLLOKOSA-N 0 3 262.397 2.961 20 30 CFEDHN C[C@H](NC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 ZINC000930184188 649201056 /nfs/dbraw/zinc/20/10/56/649201056.db2.gz XCJHBYXGLMPBOV-JOYOIKCWSA-N 0 3 272.270 2.631 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@](O)(CC)C(F)(F)F ZINC000930262130 649217928 /nfs/dbraw/zinc/21/79/28/649217928.db2.gz DGAXFRQCOCFOQL-WDEREUQCSA-N 0 3 251.292 2.730 20 30 CFEDHN N#CC1CCC(CN2CCOc3cc(O)ccc3C2)CC1 ZINC000930458599 649252569 /nfs/dbraw/zinc/25/25/69/649252569.db2.gz AGVLPIRMLKOKSM-UHFFFAOYSA-N 0 3 286.375 2.917 20 30 CFEDHN C[C@H](NCc1cncc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000930562177 649274598 /nfs/dbraw/zinc/27/45/98/649274598.db2.gz XHBHXUSFHVLGSE-ZBEGNZNMSA-N 0 3 299.399 2.807 20 30 CFEDHN C=CCN(C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930930423 649351965 /nfs/dbraw/zinc/35/19/65/649351965.db2.gz HJJJOFQSHRIICF-SRVKXCTJSA-N 0 3 281.318 2.619 20 30 CFEDHN COC/C(C)=C/CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000931113688 649381481 /nfs/dbraw/zinc/38/14/81/649381481.db2.gz SXWVEAGTYGQUCG-LHHJGKSTSA-N 0 3 285.391 2.725 20 30 CFEDHN C#CC1(O)CCN(Cc2ccccc2SCC)CC1 ZINC000931153510 649388347 /nfs/dbraw/zinc/38/83/47/649388347.db2.gz HZPOZXVILWGLRL-UHFFFAOYSA-N 0 3 275.417 2.759 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](c3ccn(C)n3)C2)cc1C#N ZINC000932133161 649546425 /nfs/dbraw/zinc/54/64/25/649546425.db2.gz SJZLKAZOLIAMET-INIZCTEOSA-N 0 3 294.402 2.980 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc3ncccc3o2)CC1 ZINC000932144786 649549915 /nfs/dbraw/zinc/54/99/15/649549915.db2.gz WPYMBBSGEQFOBJ-UHFFFAOYSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190731 649561782 /nfs/dbraw/zinc/56/17/82/649561782.db2.gz FTZDJLLBJFAQAI-JSGCOSHPSA-N 0 3 292.448 2.748 20 30 CFEDHN CC(C)(C#N)CCCN[C@H](c1ncccn1)C1CC1 ZINC000932361460 649585368 /nfs/dbraw/zinc/58/53/68/649585368.db2.gz SPNPAJCHGHOKIX-ZDUSSCGKSA-N 0 3 258.369 2.847 20 30 CFEDHN CC(C)(C)NC(=O)[C@H]1CCCN1CCCC(C)(C)C#N ZINC000932436772 649600483 /nfs/dbraw/zinc/60/04/83/649600483.db2.gz CUJPPXOLZKTRNK-CYBMUJFWSA-N 0 3 279.428 2.695 20 30 CFEDHN C#CCN(Cc1ccc(OC)c(C#N)c1)C(C)(C)C ZINC000932463411 649604773 /nfs/dbraw/zinc/60/47/73/649604773.db2.gz HIEKJLNUQHRFSN-UHFFFAOYSA-N 0 3 256.349 2.801 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC000932717429 649637630 /nfs/dbraw/zinc/63/76/30/649637630.db2.gz NBFRBDJTLXLCQU-YIYPIFLZSA-N 0 3 293.411 2.524 20 30 CFEDHN C#CCC1(NCC(=O)Nc2cc(C)ccc2C)CCC1 ZINC000933302931 649685994 /nfs/dbraw/zinc/68/59/94/649685994.db2.gz KPONLGPMZLNQEG-UHFFFAOYSA-N 0 3 270.376 2.778 20 30 CFEDHN C=CC[C@H](C)N(C)CC(=O)NCCC1=CCCCC1 ZINC000933358327 649688323 /nfs/dbraw/zinc/68/83/23/649688323.db2.gz FXKAJLSXBVNICQ-AWEZNQCLSA-N 0 3 264.413 2.890 20 30 CFEDHN CN(CCCOc1ccc(C#N)cc1)Cc1cccc(=O)[nH]1 ZINC000933394927 649690922 /nfs/dbraw/zinc/69/09/22/649690922.db2.gz BMQWIYNTVNUCQP-UHFFFAOYSA-N 0 3 297.358 2.560 20 30 CFEDHN CC1(C)CCN(CC(=O)NCCC#N)C[C@@H]1c1ccccc1 ZINC000933523469 649699122 /nfs/dbraw/zinc/69/91/22/649699122.db2.gz ZOZAZKUFPDOTLX-MRXNPFEDSA-N 0 3 299.418 2.532 20 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POKSNRKMRHIYGT-SJLPKXTDSA-N 0 3 298.430 2.702 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009097162 651156190 /nfs/dbraw/zinc/15/61/90/651156190.db2.gz QQFHDUQGIFVGHA-AWEZNQCLSA-N 0 3 282.403 2.816 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001009261900 651157783 /nfs/dbraw/zinc/15/77/83/651157783.db2.gz BIGWRUZVYQEVQU-NVXWUHKLSA-N 0 3 286.419 2.947 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009310583 651158669 /nfs/dbraw/zinc/15/86/69/651158669.db2.gz YZTHCHLZUJRXAI-OAHLLOKOSA-N 0 3 290.794 2.558 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009340059 651159373 /nfs/dbraw/zinc/15/93/73/651159373.db2.gz ZQWMTANVNPANGZ-KRWDZBQOSA-N 0 3 284.403 2.521 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001014532924 651187918 /nfs/dbraw/zinc/18/79/18/651187918.db2.gz QJMDYYWZWIANGB-SNVBAGLBSA-N 0 3 284.812 2.782 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015153508 651196689 /nfs/dbraw/zinc/19/66/89/651196689.db2.gz 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C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(=C)CC1 ZINC001017889697 651261289 /nfs/dbraw/zinc/26/12/89/651261289.db2.gz YJWTUZGKHBACHV-CALCHBBNSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC=CCC1 ZINC001018282186 651268534 /nfs/dbraw/zinc/26/85/34/651268534.db2.gz QTRVDFLQGASZJD-CALCHBBNSA-N 0 3 288.435 2.984 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC2CC2)c1 ZINC000115903386 651277518 /nfs/dbraw/zinc/27/75/18/651277518.db2.gz LDFLACPAJAIURN-CQSZACIVSA-N 0 3 286.331 2.533 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CCCCC2)C1 ZINC001019974770 651295278 /nfs/dbraw/zinc/29/52/78/651295278.db2.gz ILSCEBMXKPNABK-HDJSIYSDSA-N 0 3 284.831 2.946 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCCCCC2)C1 ZINC001020020023 651295818 /nfs/dbraw/zinc/29/58/18/651295818.db2.gz AQKMOTYVBUPNGN-HDJSIYSDSA-N 0 3 284.831 2.946 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001020053782 651296306 /nfs/dbraw/zinc/29/63/06/651296306.db2.gz VUUONBDYELUQDL-XYPYZODXSA-N 0 3 284.831 2.658 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001020362205 651302363 /nfs/dbraw/zinc/30/23/63/651302363.db2.gz YBRGVNJOLCOZGD-HAQNSBGRSA-N 0 3 298.839 2.968 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866738 782189914 /nfs/dbraw/zinc/18/99/14/782189914.db2.gz RBXIJVXEFSLXBB-HRCADAONSA-N 0 3 276.424 2.531 20 30 CFEDHN CC(C)CN1CCN(c2ncc3c(c2C#N)CCCC3)CC1 ZINC001164662619 719340258 /nfs/dbraw/zinc/34/02/58/719340258.db2.gz QMCGGIDSRAINMR-UHFFFAOYSA-N 0 3 298.434 2.610 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001085931529 782205582 /nfs/dbraw/zinc/20/55/82/782205582.db2.gz ATPVJUUHUHRMOA-OKZBNKHCSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937354 782208890 /nfs/dbraw/zinc/20/88/90/782208890.db2.gz CYJTWWMWXPTICJ-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001085963334 782221180 /nfs/dbraw/zinc/22/11/80/782221180.db2.gz 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/nfs/dbraw/zinc/05/56/94/770055694.db2.gz GBJXSURSVOKXSZ-UHFFFAOYSA-N 0 3 291.395 2.567 20 30 CFEDHN C=CCCCCCCCN1CCCC[C@@H]1C(N)=O ZINC001209439680 770091073 /nfs/dbraw/zinc/09/10/73/770091073.db2.gz VOVZPIGYMKNRFS-CQSZACIVSA-N 0 3 252.402 2.853 20 30 CFEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001266496697 770208902 /nfs/dbraw/zinc/20/89/02/770208902.db2.gz WEWMJGKYAKSZQS-XHSDSOJGSA-N 0 3 288.435 2.818 20 30 CFEDHN C=CCOc1ccccc1CNCCOC1CCC1 ZINC000690699989 770245519 /nfs/dbraw/zinc/24/55/19/770245519.db2.gz DKYOXPLRWJIOJF-UHFFFAOYSA-N 0 3 261.365 2.910 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(C[C@H](F)CC)C1 ZINC001266525795 770272327 /nfs/dbraw/zinc/27/23/27/770272327.db2.gz MSEFJCPJYVXTEX-ZIAGYGMSSA-N 0 3 284.419 2.775 20 30 CFEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001039196642 770302325 /nfs/dbraw/zinc/30/23/25/770302325.db2.gz ARFFOBFQFBOARQ-HUUCEWRRSA-N 0 3 292.398 2.586 20 30 CFEDHN C=C/C(C)=C/CC(=O)N[C@]12CCC[C@H]1CN(CC#CC)C2 ZINC001111837343 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ZINC001266830281 770658490 /nfs/dbraw/zinc/65/84/90/770658490.db2.gz VIXXPZHEMYMXQA-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cc1ccsc1 ZINC001266832317 770660596 /nfs/dbraw/zinc/66/05/96/770660596.db2.gz JZWVHSLLUTUSAR-OAHLLOKOSA-N 0 3 292.448 2.837 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C=C(CC)CC)C1 ZINC001266891431 770717573 /nfs/dbraw/zinc/71/75/73/770717573.db2.gz JHLAKZWODUNLJP-GOEBONIOSA-N 0 3 276.424 2.583 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001266893668 770719153 /nfs/dbraw/zinc/71/91/53/770719153.db2.gz RDPITSYCPBAGCE-WBVHZDCISA-N 0 3 288.435 2.727 20 30 CFEDHN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001279542221 770765526 /nfs/dbraw/zinc/76/55/26/770765526.db2.gz MRULENBOFIKLAX-CVEARBPZSA-N 0 3 276.424 2.511 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccc(C)o3)C[C@H]21 ZINC001041924246 770768679 /nfs/dbraw/zinc/76/86/79/770768679.db2.gz JDBPLCIPRZJXSP-HUUCEWRRSA-N 0 3 288.391 2.701 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@H](C)NCc1cnc(C)s1 ZINC001266965599 770775156 /nfs/dbraw/zinc/77/51/56/770775156.db2.gz YKRFXIKRIPMZGD-WCQYABFASA-N 0 3 295.452 2.648 20 30 CFEDHN C=C1CCC(C(=O)N2CC[C@H](NC/C=C/Cl)C2)CC1 ZINC001267016214 770812122 /nfs/dbraw/zinc/81/21/22/770812122.db2.gz NRTZUJPHLSMVPN-LPSTVZDBSA-N 0 3 282.815 2.676 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)CCCCCC)C1 ZINC001267022769 770821563 /nfs/dbraw/zinc/82/15/63/770821563.db2.gz NYIUBPBJIPIGBY-HOTGVXAUSA-N 0 3 278.440 2.807 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041944746 770833283 /nfs/dbraw/zinc/83/32/83/770833283.db2.gz VRXZFIZXLOUYLA-VXGBXAGGSA-N 0 3 294.782 2.655 20 30 CFEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001267112738 770913566 /nfs/dbraw/zinc/91/35/66/770913566.db2.gz WOVBKOOZTIRLPE-BRWVUGGUSA-N 0 3 290.451 2.615 20 30 CFEDHN C=CCCC(=O)NCC[C@H](C)NCc1nc(C)c(C)s1 ZINC001267120261 770921200 /nfs/dbraw/zinc/92/12/00/770921200.db2.gz COSRACNKFUNZKV-NSHDSACASA-N 0 3 295.452 2.711 20 30 CFEDHN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127710425 770926091 /nfs/dbraw/zinc/92/60/91/770926091.db2.gz LKTGTATZQAIGNB-ZDUSSCGKSA-N 0 3 282.299 2.858 20 30 CFEDHN C=C(Cl)CN[C@H](C)CCNC(=O)C1CCC(=C)CC1 ZINC001267142227 770937560 /nfs/dbraw/zinc/93/75/60/770937560.db2.gz ABJAXQPAMUEEPU-CYBMUJFWSA-N 0 3 284.831 2.970 20 30 CFEDHN C=CCN(C)CCNC(=O)c1cc2sccc2s1 ZINC001267203274 773206267 /nfs/dbraw/zinc/20/62/67/773206267.db2.gz RQBLTJWULXUCLT-UHFFFAOYSA-N 0 3 280.418 2.810 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)c1c(F)cccc1F ZINC001267206506 773208852 /nfs/dbraw/zinc/20/88/52/773208852.db2.gz DJNWYNREJALDKT-GFCCVEGCSA-N 0 3 296.361 2.692 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1csc(Cl)c1 ZINC001167646019 773210913 /nfs/dbraw/zinc/21/09/13/773210913.db2.gz VIZUJVQCYQARMZ-UHFFFAOYSA-N 0 3 293.219 2.864 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001267218879 773217690 /nfs/dbraw/zinc/21/76/90/773217690.db2.gz ILWNMRMRRMQXAJ-MRXNPFEDSA-N 0 3 274.408 2.660 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc(C)c(C)s1 ZINC001267228975 773231398 /nfs/dbraw/zinc/23/13/98/773231398.db2.gz CBYOZJRGKQZTNX-UHFFFAOYSA-N 0 3 266.410 2.603 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc(Cl)ccc1OC ZINC001267230371 773232047 /nfs/dbraw/zinc/23/20/47/773232047.db2.gz XTFAYDLJUJCQDW-UHFFFAOYSA-N 0 3 296.798 2.586 20 30 CFEDHN CC#CCCCC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224158525 775116311 /nfs/dbraw/zinc/11/63/11/775116311.db2.gz UQDHWIRNMHEZNU-INIZCTEOSA-N 0 3 296.430 2.756 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001276955425 775126147 /nfs/dbraw/zinc/12/61/47/775126147.db2.gz HOEKULAOIGAROY-CABCVRRESA-N 0 3 266.429 2.825 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1c1ccccc1 ZINC001211588413 775133635 /nfs/dbraw/zinc/13/36/35/775133635.db2.gz MFTWEPDIVCWICN-BPQIPLTHSA-N 0 3 298.430 2.640 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1CCOC(C)C ZINC001267276258 775141421 /nfs/dbraw/zinc/14/14/21/775141421.db2.gz ODJSAIZIYIWOCW-WBVHZDCISA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001267287252 775155773 /nfs/dbraw/zinc/15/57/73/775155773.db2.gz GJFVADZTYYCIGI-HNNXBMFYSA-N 0 3 290.382 2.730 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001276963737 775156294 /nfs/dbraw/zinc/15/62/94/775156294.db2.gz LXHBXXIBJDCENQ-HNNXBMFYSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224428269 775182876 /nfs/dbraw/zinc/18/28/76/775182876.db2.gz TWLIRPVMGKJLDQ-CFVMTHIKSA-N 0 3 251.370 2.554 20 30 CFEDHN C=CCCCCCO[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)N2C ZINC001224428281 775182973 /nfs/dbraw/zinc/18/29/73/775182973.db2.gz UHLUYLRFMJSTOY-NXOAAHMSSA-N 0 3 295.423 2.916 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)[C@]1(C)CC=CCC1 ZINC001267314347 775191576 /nfs/dbraw/zinc/19/15/76/775191576.db2.gz NZTPAXPMTNXDEF-QGZVFWFLSA-N 0 3 276.424 2.584 20 30 CFEDHN CC(C)=CCN[C@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001267356844 775244724 /nfs/dbraw/zinc/24/47/24/775244724.db2.gz IPNAVHDAVGRJBG-GOSISDBHSA-N 0 3 296.414 2.813 20 30 CFEDHN C=CCN[C@@H](CNC(=O)CCc1ccoc1)c1ccccc1 ZINC001267357216 775245143 /nfs/dbraw/zinc/24/51/43/775245143.db2.gz LJYPWFZNDXLZRA-KRWDZBQOSA-N 0 3 298.386 2.845 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001224753218 775266902 /nfs/dbraw/zinc/26/69/02/775266902.db2.gz GKPXXUXHCBIYTC-AWEZNQCLSA-N 0 3 278.440 2.520 20 30 CFEDHN C=CCN[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001267371485 775268425 /nfs/dbraw/zinc/26/84/25/775268425.db2.gz YXPXNBXUTACRSL-LTIDMASMSA-N 0 3 284.403 2.666 20 30 CFEDHN C[C@@H](c1ccccn1)N1CC[C@@H](OCC#CC2CC2)C1 ZINC001224851351 775290972 /nfs/dbraw/zinc/29/09/72/775290972.db2.gz ZAGQSCJRNVABPD-GOEBONIOSA-N 0 3 270.376 2.647 20 30 CFEDHN N#CC1(CO[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001224947118 775313664 /nfs/dbraw/zinc/31/36/64/775313664.db2.gz ADXXUIKFHSHCKI-MRXNPFEDSA-N 0 3 270.376 2.971 20 30 CFEDHN CC#CCNCCN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001267456339 775334271 /nfs/dbraw/zinc/33/42/71/775334271.db2.gz UFKRJPGGNXPLFU-CQSZACIVSA-N 0 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OTWHGJNJRGHESW-HNNXBMFYSA-N 0 3 299.374 2.538 20 30 CFEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)CC)c1ccccc1 ZINC001267518093 775412320 /nfs/dbraw/zinc/41/23/20/775412320.db2.gz XHHDWXPQPJWUCN-GOEBONIOSA-N 0 3 272.392 2.503 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)[C@H](C)CC)c1ccccc1 ZINC001267518095 775412918 /nfs/dbraw/zinc/41/29/18/775412918.db2.gz XHHDWXPQPJWUCN-ZBFHGGJFSA-N 0 3 272.392 2.503 20 30 CFEDHN C=CCN[C@H](CNC(=O)c1c(C)ccn1C)c1ccccc1 ZINC001267519796 775415274 /nfs/dbraw/zinc/41/52/74/775415274.db2.gz JCNZIMPFTCWCSH-MRXNPFEDSA-N 0 3 297.402 2.580 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CC=CC2)C1 ZINC001267536904 775441285 /nfs/dbraw/zinc/44/12/85/775441285.db2.gz CEOGSGUJOLUNQG-INIZCTEOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C#CC(C)C)C1 ZINC001267538502 775446618 /nfs/dbraw/zinc/44/66/18/775446618.db2.gz BQANPZGGMIROBM-INIZCTEOSA-N 0 3 276.424 2.535 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C#CC(C)C)C1 ZINC001267538504 775446809 /nfs/dbraw/zinc/44/68/09/775446809.db2.gz BQANPZGGMIROBM-MRXNPFEDSA-N 0 3 276.424 2.535 20 30 CFEDHN C=CCc1c(Cl)ncnc1-n1nc(CN)c2ccccc21 ZINC001167695697 775505032 /nfs/dbraw/zinc/50/50/32/775505032.db2.gz OZWKDBGFPBYCQH-UHFFFAOYSA-N 0 3 299.765 2.656 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC001225639616 775536894 /nfs/dbraw/zinc/53/68/94/775536894.db2.gz VLRZKQQRJFULEH-RDJZCZTQSA-N 0 3 290.451 2.664 20 30 CFEDHN COCCN1CCC(Oc2cc(Cl)cc(C#N)c2)CC1 ZINC001225698190 775562928 /nfs/dbraw/zinc/56/29/28/775562928.db2.gz RDJZPLMGHKHNSH-UHFFFAOYSA-N 0 3 294.782 2.701 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292065 775588425 /nfs/dbraw/zinc/58/84/25/775588425.db2.gz FTOPZTUOPSMRGS-CVEARBPZSA-N 0 3 290.451 2.901 20 30 CFEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC001025313726 775595910 /nfs/dbraw/zinc/59/59/10/775595910.db2.gz RUGXJCYVPKTVQB-SJORKVTESA-N 0 3 298.430 2.849 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@H]21 ZINC001042236625 775630035 /nfs/dbraw/zinc/63/00/35/775630035.db2.gz DAXZDMLWWBLXGY-QWHCGFSZSA-N 0 3 298.377 2.531 20 30 CFEDHN C[NH+](C)C1CCC(Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226114583 775703753 /nfs/dbraw/zinc/70/37/53/775703753.db2.gz MQVGPWTVHXYOME-LFIBNONCSA-N 0 3 262.353 2.746 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606402 775707157 /nfs/dbraw/zinc/70/71/57/775707157.db2.gz FOFFERWFXJKOLT-DLBZAZTESA-N 0 3 298.430 2.767 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)cc1 ZINC001267710157 775798078 /nfs/dbraw/zinc/79/80/78/775798078.db2.gz KECMLZNMGNTZFG-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC=C)CCC1 ZINC001267713062 775801905 /nfs/dbraw/zinc/80/19/05/775801905.db2.gz YGHQRDRWDZDURX-HOTGVXAUSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C ZINC001267712372 775802196 /nfs/dbraw/zinc/80/21/96/775802196.db2.gz RIRITYQYLGQBER-BPUTZDHNSA-N 0 3 299.418 2.643 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001267734379 775829518 /nfs/dbraw/zinc/82/95/18/775829518.db2.gz GKMPRWHTICHEKW-AEFFLSMTSA-N 0 3 296.414 2.560 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H](C)CCCC)C1 ZINC001267786210 775929587 /nfs/dbraw/zinc/92/95/87/775929587.db2.gz ZMMSVROTXUZHQP-HOTGVXAUSA-N 0 3 278.440 2.759 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001112090664 776066380 /nfs/dbraw/zinc/06/63/80/776066380.db2.gz RSBUTWGRAZJUEU-QJPTWQEYSA-N 0 3 292.345 2.588 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)c2c(C)coc2C)cc1 ZINC001267936321 776067445 /nfs/dbraw/zinc/06/74/45/776067445.db2.gz MBKOTPUCCDRPME-UHFFFAOYSA-N 0 3 296.370 2.549 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001167756317 776100563 /nfs/dbraw/zinc/10/05/63/776100563.db2.gz FAPRRORAYBVUNQ-CABCVRRESA-N 0 3 292.810 2.639 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227204890 776136827 /nfs/dbraw/zinc/13/68/27/776136827.db2.gz ZDMBJIOUONZPBA-GFCCVEGCSA-N 0 3 250.729 2.685 20 30 CFEDHN CN(Cc1csc(C#N)c1)C[C@H]1CCCC[C@@H]1O ZINC000893405159 776236729 /nfs/dbraw/zinc/23/67/29/776236729.db2.gz BVLYBYSDSYZRHD-OCCSQVGLSA-N 0 3 264.394 2.603 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001027411025 776315408 /nfs/dbraw/zinc/31/54/08/776315408.db2.gz KRCJDNZBSYEAPE-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001027419211 776316119 /nfs/dbraw/zinc/31/61/19/776316119.db2.gz NCASPQWNPSEMDS-HRCADAONSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2csc(Cl)c2)C1 ZINC001027602050 776376422 /nfs/dbraw/zinc/37/64/22/776376422.db2.gz KFZVKZNMSFZUMN-LBPRGKRZSA-N 0 3 296.823 2.571 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](F)C(C)C ZINC001228061857 776381012 /nfs/dbraw/zinc/38/10/12/776381012.db2.gz VDYHNYQOISKZNN-JHJVBQTASA-N 0 3 290.810 2.750 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001027641443 776391079 /nfs/dbraw/zinc/39/10/79/776391079.db2.gz JQBXXQGHJDAGBL-GOSISDBHSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001027663006 776399873 /nfs/dbraw/zinc/39/98/73/776399873.db2.gz SZELVXHTMOTAMV-HNNXBMFYSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(C)c(C)s2)C1 ZINC001027674229 776404908 /nfs/dbraw/zinc/40/49/08/776404908.db2.gz RZMFSLPKBBUESN-AWEZNQCLSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2coc3ccccc32)C1 ZINC001027703316 776416313 /nfs/dbraw/zinc/41/63/13/776416313.db2.gz WQGFUXNSTVVQPX-CQSZACIVSA-N 0 3 296.370 2.602 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC001027730540 776431763 /nfs/dbraw/zinc/43/17/63/776431763.db2.gz SSSOXLHXDMVFDS-OAHLLOKOSA-N 0 3 272.392 2.765 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001027933355 776517525 /nfs/dbraw/zinc/51/75/25/776517525.db2.gz VHDICLRSXNMFBP-ZDUSSCGKSA-N 0 3 294.345 2.735 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cscc1Cl ZINC001027950871 776523634 /nfs/dbraw/zinc/52/36/34/776523634.db2.gz ILYJHHRZGQGAPF-NSHDSACASA-N 0 3 296.823 2.619 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027972116 776536150 /nfs/dbraw/zinc/53/61/50/776536150.db2.gz RCBFBDQQBMSUSL-ISXOHVOVSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027972115 776537133 /nfs/dbraw/zinc/53/71/33/776537133.db2.gz RCBFBDQQBMSUSL-CKDBGZEDSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1cc([C@@H](C)CC)no1 ZINC001167824834 776543796 /nfs/dbraw/zinc/54/37/96/776543796.db2.gz RUHCXLCEIRXYQW-JTQLQIEISA-N 0 3 299.802 2.650 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1cncs1 ZINC001268081899 776549730 /nfs/dbraw/zinc/54/97/30/776549730.db2.gz SWMLAABLQOVBSU-CHWSQXEVSA-N 0 3 295.452 2.682 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028101462 776620779 /nfs/dbraw/zinc/62/07/79/776620779.db2.gz RLUVDABXDFJVSF-AWEZNQCLSA-N 0 3 288.391 2.927 20 30 CFEDHN CCN1CCN(Cc2cccc(Cl)c2C#N)C[C@H]1C ZINC001139692670 776641261 /nfs/dbraw/zinc/64/12/61/776641261.db2.gz FEIIXYZCBOFHJF-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001028125684 776644284 /nfs/dbraw/zinc/64/42/84/776644284.db2.gz XQMPSDWXKSEXIO-QLFBSQMISA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001028127034 776647586 /nfs/dbraw/zinc/64/75/86/776647586.db2.gz SIMGFKSZLTYQFF-BFYDXBDKSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCCCC(=O)NC1CCN(CCOCC(C)C)CC1 ZINC001228927549 776660202 /nfs/dbraw/zinc/66/02/02/776660202.db2.gz DSJQRMWJZMEIBM-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2cocn2)C1 ZINC001268169070 776683758 /nfs/dbraw/zinc/68/37/58/776683758.db2.gz CZGIUCZLLNDGRP-AWEZNQCLSA-N 0 3 291.395 2.615 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001028181431 776684487 /nfs/dbraw/zinc/68/44/87/776684487.db2.gz SQLXNTLYVHCBBC-LLVKDONJSA-N 0 3 296.823 2.619 20 30 CFEDHN C=CCCC(=O)N(C)CCN(C)CC1=CCCCC1 ZINC001268232049 776714524 /nfs/dbraw/zinc/71/45/24/776714524.db2.gz HPKYCLOYYZNAMM-UHFFFAOYSA-N 0 3 264.413 2.843 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC001268252898 776723768 /nfs/dbraw/zinc/72/37/68/776723768.db2.gz GKNOXULHDPPIHH-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccc(F)c1 ZINC001268340752 776752946 /nfs/dbraw/zinc/75/29/46/776752946.db2.gz WFGJEEFHRMCMLZ-NSHDSACASA-N 0 3 284.762 2.676 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028275907 776787336 /nfs/dbraw/zinc/78/73/36/776787336.db2.gz FCTCVGUNLZPYSW-OAHLLOKOSA-N 0 3 290.794 2.558 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(C)cc1 ZINC001268416267 776797487 /nfs/dbraw/zinc/79/74/87/776797487.db2.gz HHVIXBOFADKPQH-ZDUSSCGKSA-N 0 3 280.799 2.846 20 30 CFEDHN C#CCNCCN(CC)C(=O)c1cc(C)c(Cl)cc1C ZINC001268469315 776855538 /nfs/dbraw/zinc/85/55/38/776855538.db2.gz LDLVRXBJVYWJOB-UHFFFAOYSA-N 0 3 292.810 2.642 20 30 CFEDHN C=C1O[C@@H](C)C(=O)C1Oc1cccc([C@H](C)N(C)C)c1 ZINC001229627373 776859559 /nfs/dbraw/zinc/85/95/59/776859559.db2.gz PRWZADGYWYDKOC-QWRGUYRKSA-N 0 3 275.348 2.907 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028335256 776860045 /nfs/dbraw/zinc/86/00/45/776860045.db2.gz QXVUFPJSXSGJDR-BHUNQDJPSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341812 776862132 /nfs/dbraw/zinc/86/21/32/776862132.db2.gz VJIFEYXCZLZDTK-AWEZNQCLSA-N 0 3 288.391 2.621 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001028341444 776863645 /nfs/dbraw/zinc/86/36/45/776863645.db2.gz KYUVDRBEWWJAFZ-CYBMUJFWSA-N 0 3 299.374 2.516 20 30 CFEDHN C#CCNCCN(CC)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001268493288 776894420 /nfs/dbraw/zinc/89/44/20/776894420.db2.gz LBHRDVMAGJKZGR-KRWDZBQOSA-N 0 3 298.430 2.568 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CCCN(CC(=C)C)[C@H]1C ZINC001284133554 776916319 /nfs/dbraw/zinc/91/63/19/776916319.db2.gz YPOYURDBFMVLSB-GJZGRUSLSA-N 0 3 264.413 2.888 20 30 CFEDHN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001230039492 776948119 /nfs/dbraw/zinc/94/81/19/776948119.db2.gz WSIWWPQYLFDDEL-QGZVFWFLSA-N 0 3 293.370 2.997 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@@H](C)CNCc1cncc(C)c1 ZINC001268688102 777022396 /nfs/dbraw/zinc/02/23/96/777022396.db2.gz UKBILYQWPFOIJT-AWEZNQCLSA-N 0 3 289.423 2.587 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)C(C)(F)F ZINC001230603206 777023980 /nfs/dbraw/zinc/02/39/80/777023980.db2.gz JDQOASOKJGWGPU-NWDGAFQWSA-N 0 3 274.355 2.529 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230598987 777024052 /nfs/dbraw/zinc/02/40/52/777024052.db2.gz DPQSOSGVILSTMO-OLZOCXBDSA-N 0 3 270.392 2.622 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN(C)C[C@@H]1CCCCO1 ZINC001268748487 777041344 /nfs/dbraw/zinc/04/13/44/777041344.db2.gz GOKJWHNFNYCTRI-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(OC)cc1Cl ZINC001268750347 777044420 /nfs/dbraw/zinc/04/44/20/777044420.db2.gz FXEHOZPEPFZROQ-LLVKDONJSA-N 0 3 296.798 2.585 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)C1(C(F)(F)F)CCCC1 ZINC001268758479 777047056 /nfs/dbraw/zinc/04/70/56/777047056.db2.gz CXMLBNAENWQFTE-NSHDSACASA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001230751916 777057767 /nfs/dbraw/zinc/05/77/67/777057767.db2.gz ANCKAQNWKMZLDC-DZGCQCFKSA-N 0 3 276.380 2.781 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230978181 777108215 /nfs/dbraw/zinc/10/82/15/777108215.db2.gz USKMBEZOPCNAGB-CVEARBPZSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC(C)C ZINC001230978620 777108296 /nfs/dbraw/zinc/10/82/96/777108296.db2.gz YZOPHNTWTBVKAU-CVEARBPZSA-N 0 3 296.455 2.546 20 30 CFEDHN CCC/C=C\CCN1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001269126357 777108455 /nfs/dbraw/zinc/10/84/55/777108455.db2.gz JDMLZGFRCMPYKB-XITLMJRVSA-N 0 3 290.451 2.973 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1C ZINC001269194802 777135740 /nfs/dbraw/zinc/13/57/40/777135740.db2.gz JVQAZMZRHPEJFK-TZMCWYRMSA-N 0 3 276.380 2.747 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001269220980 777142910 /nfs/dbraw/zinc/14/29/10/777142910.db2.gz DVIXWEGSZAMQNF-LEJCZOIISA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001279957245 777147297 /nfs/dbraw/zinc/14/72/97/777147297.db2.gz ACRSWSZGTDAJDA-CABCVRRESA-N 0 3 296.842 2.923 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001269251828 777151314 /nfs/dbraw/zinc/15/13/14/777151314.db2.gz SLEHGMNQGCGSRJ-HOCLYGCPSA-N 0 3 278.440 2.615 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)OC ZINC001231139160 777154408 /nfs/dbraw/zinc/15/44/08/777154408.db2.gz LZEICTIXISJNAO-CVEARBPZSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001269339796 777174148 /nfs/dbraw/zinc/17/41/48/777174148.db2.gz RQBPHAZZRKJNRH-KRWDZBQOSA-N 0 3 286.419 2.646 20 30 CFEDHN C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001231293671 777185644 /nfs/dbraw/zinc/18/56/44/777185644.db2.gz PKVMLTIAIXBDQP-KGLIPLIRSA-N 0 3 279.428 2.505 20 30 CFEDHN CC#CCCCC(=O)NCC1(NCc2ccsc2)CC1 ZINC001269469740 777194919 /nfs/dbraw/zinc/19/49/19/777194919.db2.gz XGLYPKWWFSZQGP-UHFFFAOYSA-N 0 3 290.432 2.680 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001280039626 777233548 /nfs/dbraw/zinc/23/35/48/777233548.db2.gz AJQIHFNLPIINGM-TZIYXEQSSA-N 0 3 284.831 2.923 20 30 CFEDHN N#Cc1ccc(N2CCN([C@H]3C[C@H]4C[C@H]4C3)CC2)c(F)c1 ZINC001167954385 777237919 /nfs/dbraw/zinc/23/79/19/777237919.db2.gz DCBUZPFIURHISZ-FICVDOATSA-N 0 3 285.366 2.618 20 30 CFEDHN C=CCCC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001269763767 777244860 /nfs/dbraw/zinc/24/48/60/777244860.db2.gz FIZSPGSGJANRHU-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001277532388 777259918 /nfs/dbraw/zinc/25/99/18/777259918.db2.gz YSGGIFUVDFLOMU-GOSISDBHSA-N 0 3 290.451 2.760 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@](C)(CO)CC1 ZINC001231616935 777280504 /nfs/dbraw/zinc/28/05/04/777280504.db2.gz NOPSDUHVQLHSJZ-KRWDZBQOSA-N 0 3 288.391 2.551 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)[C@](C)(O)CC1 ZINC001231616705 777280656 /nfs/dbraw/zinc/28/06/56/777280656.db2.gz LFABQWSOOGVTFT-SUMWQHHRSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCCC(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001269965426 777281506 /nfs/dbraw/zinc/28/15/06/777281506.db2.gz KUEOMADIBNPDFF-JOCQHMNTSA-N 0 3 293.436 2.626 20 30 CFEDHN C#Cc1cccc(CN(CCO)Cc2ccccc2)c1 ZINC001231655944 777293637 /nfs/dbraw/zinc/29/36/37/777293637.db2.gz HBRYZMQHKBJVPH-UHFFFAOYSA-N 0 3 265.356 2.662 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)C[C@H]2C=CCCC2)cc1 ZINC001270065837 777300731 /nfs/dbraw/zinc/30/07/31/777300731.db2.gz ZAQPGAJVCOBYEV-INIZCTEOSA-N 0 3 296.414 2.772 20 30 CFEDHN C#Cc1cccc(CN2CCC(N(C)C(=O)C(C)C)CC2)c1 ZINC001231664363 777302194 /nfs/dbraw/zinc/30/21/94/777302194.db2.gz PPNUTWHJTFGOAA-UHFFFAOYSA-N 0 3 298.430 2.747 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)C/C=C(/C)C=C)CC1 ZINC001270243908 777339334 /nfs/dbraw/zinc/33/93/34/777339334.db2.gz ZZWCXRZWHSPDBG-AUWJEWJLSA-N 0 3 262.397 2.666 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001028973300 777351861 /nfs/dbraw/zinc/35/18/61/777351861.db2.gz WLLJKHKGRMSJMV-KRWDZBQOSA-N 0 3 298.430 2.687 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2sccc2C(C)C)C1 ZINC001029002524 777368784 /nfs/dbraw/zinc/36/87/84/777368784.db2.gz SVWXZUBHBPOFQF-ZDUSSCGKSA-N 0 3 290.432 2.556 20 30 CFEDHN O=C1C=C2CN(Cc3ncccc3Cl)CCC2S1 ZINC001231956865 777390135 /nfs/dbraw/zinc/39/01/35/777390135.db2.gz WKAZJMITGKSIML-GFCCVEGCSA-N 0 3 280.780 2.509 20 30 CFEDHN C=CCN(Cc1cnc(OC)cn1)C1CCCCC1 ZINC001231941282 777390164 /nfs/dbraw/zinc/39/01/64/777390164.db2.gz QBZCXPJPPYCKDE-UHFFFAOYSA-N 0 3 261.369 2.806 20 30 CFEDHN N#CCC1CCN(Cc2cc3ccncc3[nH]2)CC1 ZINC001232094125 777438988 /nfs/dbraw/zinc/43/89/88/777438988.db2.gz JPACIRHQOSRQEK-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@@H]1O ZINC001232112564 777443822 /nfs/dbraw/zinc/44/38/22/777443822.db2.gz XVWUHZGZDMPEGU-ABAIWWIYSA-N 0 3 278.783 2.804 20 30 CFEDHN N#Cc1ccc(CN2CCN3CCCC[C@H]3C2)cc1Cl ZINC001232120131 777446446 /nfs/dbraw/zinc/44/64/46/777446446.db2.gz NFVBVVHTKHZBCB-HNNXBMFYSA-N 0 3 289.810 2.882 20 30 CFEDHN N#Cc1ccc(CN2CCN(CC3CC3)CC2)cc1Cl ZINC001232119919 777447408 /nfs/dbraw/zinc/44/74/08/777447408.db2.gz KLORODRBTGBWHC-UHFFFAOYSA-N 0 3 289.810 2.739 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001075788980 777553976 /nfs/dbraw/zinc/55/39/76/777553976.db2.gz UGDRAUWVTCMWRQ-OWCLPIDISA-N 0 3 288.435 2.676 20 30 CFEDHN Cc1ncc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)[nH]1 ZINC001232464366 777568504 /nfs/dbraw/zinc/56/85/04/777568504.db2.gz AEEBJKHOQOZLRG-KRWDZBQOSA-N 0 3 296.374 2.633 20 30 CFEDHN C=CCN1CCC[C@@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001270974767 777617741 /nfs/dbraw/zinc/61/77/41/777617741.db2.gz SZDHFLSYLINEDZ-HYVNUMGLSA-N 0 3 276.424 2.581 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cnc(C)s1 ZINC001270975765 777618740 /nfs/dbraw/zinc/61/87/40/777618740.db2.gz IBBWDSWAJMEVAF-LBPRGKRZSA-N 0 3 295.452 2.744 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNC[C@H](F)CC ZINC001270975792 777618892 /nfs/dbraw/zinc/61/88/92/777618892.db2.gz ILSCQLXGZGWIFI-CHWSQXEVSA-N 0 3 258.381 2.527 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNC[C@@H](F)CC ZINC001270975793 777618922 /nfs/dbraw/zinc/61/89/22/777618922.db2.gz ILSCQLXGZGWIFI-OLZOCXBDSA-N 0 3 258.381 2.527 20 30 CFEDHN C=CCN(C)Cc1c[nH]c2c1cccc2C(=O)OC ZINC001232710240 777644859 /nfs/dbraw/zinc/64/48/59/777644859.db2.gz LDBFEJFXTFLMNK-UHFFFAOYSA-N 0 3 258.321 2.572 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1CC ZINC001087585211 777665026 /nfs/dbraw/zinc/66/50/26/777665026.db2.gz UTPIZTJNVGTUGL-ZMSDIMECSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1CC ZINC001087737691 777689505 /nfs/dbraw/zinc/68/95/05/777689505.db2.gz LBXODKQBJOCGQG-ZWKOTPCHSA-N 0 3 298.430 2.557 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H]1CC ZINC001087753828 777694331 /nfs/dbraw/zinc/69/43/31/777694331.db2.gz ZRCAFFNGBBZTNO-QLFBSQMISA-N 0 3 290.407 2.847 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1CC ZINC001087790043 777699085 /nfs/dbraw/zinc/69/90/85/777699085.db2.gz RWZQIAQCBNGJEM-LSDHHAIUSA-N 0 3 276.424 2.578 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001029421837 777701418 /nfs/dbraw/zinc/70/14/18/777701418.db2.gz LRHICBCNMBRRDR-MELADBBJSA-N 0 3 282.403 2.622 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@H]1CC ZINC001087816490 777705766 /nfs/dbraw/zinc/70/57/66/777705766.db2.gz PJKQIYZXEKCYPR-JKSUJKDBSA-N 0 3 290.382 2.523 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1CC ZINC001087819416 777707287 /nfs/dbraw/zinc/70/72/87/777707287.db2.gz WWORNMOTTCEBTQ-DLBZAZTESA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1CC ZINC001087831270 777712101 /nfs/dbraw/zinc/71/21/01/777712101.db2.gz BHADUXQGKVKXHK-LSDHHAIUSA-N 0 3 289.423 2.838 20 30 CFEDHN CCCCN1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232966760 777742754 /nfs/dbraw/zinc/74/27/54/777742754.db2.gz UYBFDBOWXALDNS-UHFFFAOYSA-N 0 3 271.408 2.784 20 30 CFEDHN CCCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001126558971 777747226 /nfs/dbraw/zinc/74/72/26/777747226.db2.gz BAPHGELJUVSNPZ-GFCCVEGCSA-N 0 3 293.436 2.652 20 30 CFEDHN Cc1cc(C)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001233009613 777762863 /nfs/dbraw/zinc/76/28/63/777762863.db2.gz GQNKTDXHGVXGQZ-MKZZRHPPSA-N 0 3 255.365 2.965 20 30 CFEDHN Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1O ZINC001233234470 777836991 /nfs/dbraw/zinc/83/69/91/777836991.db2.gz VOHPRRZTHBGULP-QKDCVEJESA-N 0 3 256.349 2.967 20 30 CFEDHN CN1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccccc1C(=O)CC#N ZINC001233531672 777981263 /nfs/dbraw/zinc/98/12/63/777981263.db2.gz UXIZROOTEFILNA-UOIKSKOESA-N 0 3 298.386 2.892 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001075870441 778004079 /nfs/dbraw/zinc/00/40/79/778004079.db2.gz CLERHKNTQMPBCC-GOEBONIOSA-N 0 3 299.418 2.615 20 30 CFEDHN C#CCCCCC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001233763226 778068274 /nfs/dbraw/zinc/06/82/74/778068274.db2.gz YLXXSXOEIYBDGZ-INIZCTEOSA-N 0 3 296.430 2.853 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccncc1C ZINC001234088660 778161940 /nfs/dbraw/zinc/16/19/40/778161940.db2.gz PGPMPZLJOHUKRF-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234162878 778179323 /nfs/dbraw/zinc/17/93/23/778179323.db2.gz VZRZPDYYUDLSEP-MWWKQMNYSA-N 0 3 276.424 2.535 20 30 CFEDHN CC/C=C/CCN1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162877 778179733 /nfs/dbraw/zinc/17/97/33/778179733.db2.gz VZRZPDYYUDLSEP-MOEXGYKKSA-N 0 3 276.424 2.535 20 30 CFEDHN CCCCCCN1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234171414 778180455 /nfs/dbraw/zinc/18/04/55/778180455.db2.gz QKOPICMQBGVSLT-INIZCTEOSA-N 0 3 278.440 2.759 20 30 CFEDHN COc1ccc2ccc([O-])c(C[NH+]3CC(CC#N)C3)c2c1 ZINC001234518868 778242481 /nfs/dbraw/zinc/24/24/81/778242481.db2.gz PKMUOGVDRFKBRQ-UHFFFAOYSA-N 0 3 282.343 2.899 20 30 CFEDHN COc1ccc2ccc(O)c(CN3CC(CC#N)C3)c2c1 ZINC001234518868 778242484 /nfs/dbraw/zinc/24/24/84/778242484.db2.gz PKMUOGVDRFKBRQ-UHFFFAOYSA-N 0 3 282.343 2.899 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565241 778264057 /nfs/dbraw/zinc/26/40/57/778264057.db2.gz IJRSNQNQHNWLTH-KFWWJZLASA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCOC(C)C ZINC001234624304 778268566 /nfs/dbraw/zinc/26/85/66/778268566.db2.gz AUCLBUYRUJVYLU-INIZCTEOSA-N 0 3 296.455 2.691 20 30 CFEDHN C#CCCCCC(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001101894643 778356119 /nfs/dbraw/zinc/35/61/19/778356119.db2.gz JVZWGMVPVUGGCG-VIGJRRFGSA-N 0 3 296.842 2.617 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001272145440 778362752 /nfs/dbraw/zinc/36/27/52/778362752.db2.gz NJASVZWONPHLFG-HOTGVXAUSA-N 0 3 278.440 2.616 20 30 CFEDHN C/C=C(\C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001212103936 778363779 /nfs/dbraw/zinc/36/37/79/778363779.db2.gz BCESPHHRMZQWGE-KOBNLHKSSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCCCCCN1C[C@@H](NC(=O)/C(C)=C\C)[C@H](OC)C1 ZINC001212104096 778365944 /nfs/dbraw/zinc/36/59/44/778365944.db2.gz FZMDYUAOEDSBDT-UPYRFZFASA-N 0 3 294.439 2.514 20 30 CFEDHN C=C[C@@H](C(=O)N(C)CCN(C)CCCF)c1ccccc1 ZINC001272178146 778367273 /nfs/dbraw/zinc/36/72/73/778367273.db2.gz DTKMFIHPLRLSTI-MRXNPFEDSA-N 0 3 292.398 2.706 20 30 CFEDHN C=CCC1(C(=O)N(C)CCN(C)CCCF)CCCC1 ZINC001272185046 778370038 /nfs/dbraw/zinc/37/00/38/778370038.db2.gz HELNAJDPMHUKBN-UHFFFAOYSA-N 0 3 284.419 2.873 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C ZINC001088737869 778461874 /nfs/dbraw/zinc/46/18/74/778461874.db2.gz HUNSICFXHNFILE-TUVASFSCSA-N 0 3 278.440 2.824 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC001088763084 778482281 /nfs/dbraw/zinc/48/22/81/778482281.db2.gz NAXMEYSLXBXUDY-OCCSQVGLSA-N 0 3 299.374 2.597 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@H]1C ZINC001088813307 778518625 /nfs/dbraw/zinc/51/86/25/778518625.db2.gz NAJSZUZPZQBAKK-HIFRSBDPSA-N 0 3 288.391 2.619 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235761557 778553491 /nfs/dbraw/zinc/55/34/91/778553491.db2.gz TWYZDYUJJVGFSZ-HOTGVXAUSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCCC3(F)F)[C@@H]2C1 ZINC001076174154 778574055 /nfs/dbraw/zinc/57/40/55/778574055.db2.gz AQUCJJYWUXQABM-MELADBBJSA-N 0 3 298.377 2.531 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001076185018 778574281 /nfs/dbraw/zinc/57/42/81/778574281.db2.gz FCDDDZLBTIDOEQ-GOEBONIOSA-N 0 3 299.418 2.615 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001076363333 778585481 /nfs/dbraw/zinc/58/54/81/778585481.db2.gz KMLKYRBLNFOHBJ-DZGCQCFKSA-N 0 3 290.432 2.779 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](CCC)C(C)C)CC1 ZINC001224713971 778636587 /nfs/dbraw/zinc/63/65/87/778636587.db2.gz WYLRVYCOIPHBAZ-MRXNPFEDSA-N 0 3 278.440 2.520 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088838281 778645639 /nfs/dbraw/zinc/64/56/39/778645639.db2.gz AQVIBSBTUFHUAW-ZBFHGGJFSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088838558 778645735 /nfs/dbraw/zinc/64/57/35/778645735.db2.gz QCKJJBLHEOYCIE-URGYJCLVSA-N 0 3 282.403 2.670 20 30 CFEDHN CN(C)Cc1cccc(-c2ccc(C#N)cc2F)n1 ZINC001236528141 778862331 /nfs/dbraw/zinc/86/23/31/778862331.db2.gz RONZADHYTNYNDT-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000129874595 778871060 /nfs/dbraw/zinc/87/10/60/778871060.db2.gz XBNCHVNQTDSJCF-STQMWFEESA-N 0 3 298.342 2.699 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001088844999 778882848 /nfs/dbraw/zinc/88/28/48/778882848.db2.gz JFTHRTUMYNJBPF-PNBKFKSVSA-N 0 3 276.424 2.722 20 30 CFEDHN CCOc1ccc(CN2CCC(S)CC2)c(C)n1 ZINC001232313159 778923170 /nfs/dbraw/zinc/92/31/70/778923170.db2.gz PJNGMYYREITRKG-UHFFFAOYSA-N 0 3 266.410 2.683 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970935 778963588 /nfs/dbraw/zinc/96/35/88/778963588.db2.gz UZFCSAHHJQTPOZ-FMKPAKJESA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1C ZINC001089024557 778976239 /nfs/dbraw/zinc/97/62/39/778976239.db2.gz KMSMAWQFLIAHQM-CVEARBPZSA-N 0 3 286.419 2.990 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC001089043624 778981557 /nfs/dbraw/zinc/98/15/57/778981557.db2.gz MWCRPNSJCOIYCU-ZJUUUORDSA-N 0 3 299.827 2.565 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCC[C@@]1(C)O ZINC001232844515 778982421 /nfs/dbraw/zinc/98/24/21/778982421.db2.gz RZBRLYWOCNCBGO-SMDDNHRTSA-N 0 3 264.394 2.603 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3oc(C)nc32)[C@H]1C ZINC001089067825 778985722 /nfs/dbraw/zinc/98/57/22/778985722.db2.gz YJGCLLPHWYTBRN-RISCZKNCSA-N 0 3 299.374 2.515 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC001089070542 778987175 /nfs/dbraw/zinc/98/71/75/778987175.db2.gz KSVWAVUUVFFSBP-KDOFPFPSSA-N 0 3 298.430 2.944 20 30 CFEDHN C=CCCCCCCN1CCNC[C@@H]1C(F)(F)F ZINC001236977248 778987755 /nfs/dbraw/zinc/98/77/55/778987755.db2.gz VOWGOILQTXRKGY-GFCCVEGCSA-N 0 3 264.335 2.959 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046229454 779108677 /nfs/dbraw/zinc/10/86/77/779108677.db2.gz QPZYRGPPTDKISH-WBTNSWJXSA-N 0 3 276.424 2.579 20 30 CFEDHN Cn1cc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c2cc(C#N)ccc21 ZINC001237467999 779114905 /nfs/dbraw/zinc/11/49/05/779114905.db2.gz JIKUIFMOYHRIFF-GASCZTMLSA-N 0 3 293.370 2.746 20 30 CFEDHN Cn1cc(CN2CC3(C2)CCOCC3)c2cc(C#N)ccc21 ZINC001237468158 779114958 /nfs/dbraw/zinc/11/49/58/779114958.db2.gz HULJYBZOJMVZHY-UHFFFAOYSA-N 0 3 295.386 2.662 20 30 CFEDHN C[C@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237608772 779141640 /nfs/dbraw/zinc/14/16/40/779141640.db2.gz JXKHQYZDIIIISI-ZDUSSCGKSA-N 0 3 268.364 2.828 20 30 CFEDHN CC[C@H]1CCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237607889 779141664 /nfs/dbraw/zinc/14/16/64/779141664.db2.gz AHXVXQVJUJVOMO-AWEZNQCLSA-N 0 3 254.337 2.580 20 30 CFEDHN COC(C)(C)[C@H]1CCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237614217 779143482 /nfs/dbraw/zinc/14/34/82/779143482.db2.gz NPNZQYKCGQBBGB-OAHLLOKOSA-N 0 3 298.390 2.595 20 30 CFEDHN CCCCCCCc1ccc(NS(=O)(=O)CCN)cc1 ZINC001237701251 779163449 /nfs/dbraw/zinc/16/34/49/779163449.db2.gz QHBKOKWVIHSVBF-UHFFFAOYSA-N 0 3 298.452 2.900 20 30 CFEDHN CN1CCN(Cc2cc(Cl)cc(C#N)c2)CC1(C)C ZINC001237752869 779175157 /nfs/dbraw/zinc/17/51/57/779175157.db2.gz FVKFYNCGCZVEMR-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001272573470 779195746 /nfs/dbraw/zinc/19/57/46/779195746.db2.gz GUFUZHHBRJYGRM-BFHYXJOUSA-N 0 3 284.831 2.613 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC=CCC2)CC(C)(C)C1 ZINC001089311616 779203884 /nfs/dbraw/zinc/20/38/84/779203884.db2.gz CEADVVYZDAGUKR-JKSUJKDBSA-N 0 3 288.435 2.583 20 30 CFEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2cncn21 ZINC001238111959 779255836 /nfs/dbraw/zinc/25/58/36/779255836.db2.gz ZZBWUCUSVOVISY-UHFFFAOYSA-N 0 3 276.343 2.838 20 30 CFEDHN N#Cc1cc(CN2CCN(CC3CC3)CC2)ccc1Cl ZINC001238190083 779274158 /nfs/dbraw/zinc/27/41/58/779274158.db2.gz AABLDKNRJUKFPP-UHFFFAOYSA-N 0 3 289.810 2.739 20 30 CFEDHN CN(Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCCOC1 ZINC001238196423 779277547 /nfs/dbraw/zinc/27/75/47/779277547.db2.gz RFZQGGSZGCPUQI-CYBMUJFWSA-N 0 3 264.756 2.822 20 30 CFEDHN CN(Cc1ccc(Cl)c(C#N)c1)[C@H]1CCCOC1 ZINC001238196425 779277871 /nfs/dbraw/zinc/27/78/71/779277871.db2.gz RFZQGGSZGCPUQI-ZDUSSCGKSA-N 0 3 264.756 2.822 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1COC[C@@H]1CC ZINC000699532279 779288850 /nfs/dbraw/zinc/28/88/50/779288850.db2.gz DGERAGSDQUNSMK-ZFWWWQNUSA-N 0 3 261.365 2.766 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1COC[C@H]1CC ZINC000699532275 779289418 /nfs/dbraw/zinc/28/94/18/779289418.db2.gz DGERAGSDQUNSMK-UKRRQHHQSA-N 0 3 261.365 2.766 20 30 CFEDHN C=C(C)CN1CC[C@]2(CCCN2Cc2ccccc2)C1=O ZINC001272595069 779290367 /nfs/dbraw/zinc/29/03/67/779290367.db2.gz WGQQPZRFNBJFQD-GOSISDBHSA-N 0 3 284.403 2.830 20 30 CFEDHN CCn1ccnc1C(C#N)C(=O)CC1CC(F)(F)C1 ZINC001123336591 779382136 /nfs/dbraw/zinc/38/21/36/779382136.db2.gz IWBKVGTYJBLDCU-SNVBAGLBSA-N 0 3 267.279 2.515 20 30 CFEDHN CCc1cc(CN2C[C@H](C)N(C)C[C@H]2C)ccc1C#N ZINC001238760900 779384166 /nfs/dbraw/zinc/38/41/66/779384166.db2.gz QPJKVTBYRLEDSA-UONOGXRCSA-N 0 3 271.408 2.645 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@@H]1CCNC[C@H]1F ZINC001239227886 779479727 /nfs/dbraw/zinc/47/97/27/779479727.db2.gz UROVKYOWXZKSNC-UONOGXRCSA-N 0 3 287.423 2.594 20 30 CFEDHN N#Cc1ccc(/C=C/c2ccc3c(n2)OCCNC3)cc1 ZINC001239282873 779500516 /nfs/dbraw/zinc/50/05/16/779500516.db2.gz ZRFTZYCANHQEGD-FNORWQNLSA-N 0 3 277.327 2.606 20 30 CFEDHN CCCCCCCCNC(=O)N1CCN[C@@H](CC)C1 ZINC001239283488 779501183 /nfs/dbraw/zinc/50/11/83/779501183.db2.gz GCPDBIZTYBCLFU-AWEZNQCLSA-N 0 3 269.433 2.740 20 30 CFEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC1(C)C ZINC001272670588 779519359 /nfs/dbraw/zinc/51/93/59/779519359.db2.gz WDAITUKFCBEMJR-MRXNPFEDSA-N 0 3 286.419 2.967 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001031665040 779522037 /nfs/dbraw/zinc/52/20/37/779522037.db2.gz UQLBTFDYWZJBMU-OCCSQVGLSA-N 0 3 288.391 2.641 20 30 CFEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CCC(=C)C)cc1 ZINC001272690697 779628418 /nfs/dbraw/zinc/62/84/18/779628418.db2.gz CHNRWERYJFIIKO-OAHLLOKOSA-N 0 3 284.403 2.943 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2occc2C(C)C)C1 ZINC001031919747 779672708 /nfs/dbraw/zinc/67/27/08/779672708.db2.gz HDKMUVQKNMWFOF-UHFFFAOYSA-N 0 3 276.380 2.641 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001032066747 779727998 /nfs/dbraw/zinc/72/79/98/779727998.db2.gz GAOOYYDQMSUOQJ-UHFFFAOYSA-N 0 3 298.430 2.669 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC001032170298 779751805 /nfs/dbraw/zinc/75/18/05/779751805.db2.gz UEILRTGZQQQWPU-UHFFFAOYSA-N 0 3 284.812 2.639 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2cc3ccccc3o2)C1 ZINC001032171608 779753625 /nfs/dbraw/zinc/75/36/25/779753625.db2.gz XSQFVBVIBYJCKE-UHFFFAOYSA-N 0 3 284.359 2.671 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107514852 779854110 /nfs/dbraw/zinc/85/41/10/779854110.db2.gz ZACLVMNQBQGERY-BFYDXBDKSA-N 0 3 296.430 2.919 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)C1 ZINC001107543550 779857202 /nfs/dbraw/zinc/85/72/02/779857202.db2.gz LSYYNSGFSYXZTC-RHSMWYFYSA-N 0 3 294.414 2.673 20 30 CFEDHN N#Cc1c(F)cc(-c2ccc3[nH]c(N)nc3c2)cc1F ZINC001239927749 779864718 /nfs/dbraw/zinc/86/47/18/779864718.db2.gz RGQJONBMWNHXEY-UHFFFAOYSA-N 0 3 270.242 2.962 20 30 CFEDHN N#Cc1c(F)cc(-c2ccc3nc(N)[nH]c3c2)cc1F ZINC001239927749 779864726 /nfs/dbraw/zinc/86/47/26/779864726.db2.gz RGQJONBMWNHXEY-UHFFFAOYSA-N 0 3 270.242 2.962 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCC1 ZINC001032342520 779875204 /nfs/dbraw/zinc/87/52/04/779875204.db2.gz ZZRHKDBIRSBFMA-HOTGVXAUSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001032403871 779932373 /nfs/dbraw/zinc/93/23/73/779932373.db2.gz JNYQZXKLXAKICS-JYJNAYRXSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001032438434 779956573 /nfs/dbraw/zinc/95/65/73/779956573.db2.gz YMJLWHPPPULVKF-RDBSUJKOSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@]1(C)CC=CCC1 ZINC001272800017 780007725 /nfs/dbraw/zinc/00/77/25/780007725.db2.gz CXHYQTIUOHQUJS-ZFWWWQNUSA-N 0 3 284.831 2.970 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC1(C)C ZINC001032573681 780047002 /nfs/dbraw/zinc/04/70/02/780047002.db2.gz PLEOFJKUZPWAQY-SOUVJXGZSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(C)(C)C1 ZINC001032583551 780052253 /nfs/dbraw/zinc/05/22/53/780052253.db2.gz RWEKWTIKOFSKKV-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC ZINC001032598140 780061410 /nfs/dbraw/zinc/06/14/10/780061410.db2.gz VUYYTEOAUQXEJD-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN Cc1nc(C#N)cnc1C1=CCCN(Cc2ccccc2)C1 ZINC001240386101 780129544 /nfs/dbraw/zinc/12/95/44/780129544.db2.gz ZZTDFNBWPGNGIK-UHFFFAOYSA-N 0 3 290.370 2.946 20 30 CFEDHN C=C[C@@H](COC)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC001116644370 780207837 /nfs/dbraw/zinc/20/78/37/780207837.db2.gz ZJAIURGQIBWKAQ-KBPBESRZSA-N 0 3 277.364 2.700 20 30 CFEDHN CCCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccccc1 ZINC001272924175 780232595 /nfs/dbraw/zinc/23/25/95/780232595.db2.gz VIACQVBBGORDMD-GOSISDBHSA-N 0 3 298.430 2.809 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CCC2)C12CCC2 ZINC001078586168 780280961 /nfs/dbraw/zinc/28/09/61/780280961.db2.gz LLLYGKLCWACGMQ-UONOGXRCSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001032841741 780453110 /nfs/dbraw/zinc/45/31/10/780453110.db2.gz IBYRQDIAUHXEJH-PMPSAXMXSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)Cc1cccc(C)c1 ZINC001272992710 780458803 /nfs/dbraw/zinc/45/88/03/780458803.db2.gz DUHLSIKNSFUQNL-CQSZACIVSA-N 0 3 294.826 2.774 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccsc2C)C1 ZINC001033061327 780548074 /nfs/dbraw/zinc/54/80/74/780548074.db2.gz JXHULSBYTYMFKK-CYBMUJFWSA-N 0 3 278.421 2.779 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033099756 780560675 /nfs/dbraw/zinc/56/06/75/780560675.db2.gz SCGDTVUGIAGNGA-YYIAUSFCSA-N 0 3 288.435 2.698 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033186251 780608665 /nfs/dbraw/zinc/60/86/65/780608665.db2.gz XKQSXQBWBIVVTG-HZPDHXFCSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033195059 780610912 /nfs/dbraw/zinc/61/09/12/780610912.db2.gz RHPSQUAJIPFGSC-CKDBGZEDSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001033291947 780641733 /nfs/dbraw/zinc/64/17/33/780641733.db2.gz RFJNKYZGIYXHRJ-IVSAIRAKSA-N 0 3 276.424 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033301643 780644430 /nfs/dbraw/zinc/64/44/30/780644430.db2.gz TUZSOYQGTSUDTN-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339492 780660309 /nfs/dbraw/zinc/66/03/09/780660309.db2.gz VUXDFWGMEJIINM-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033342125 780660675 /nfs/dbraw/zinc/66/06/75/780660675.db2.gz RUPXENICJKLLFF-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033410168 780675216 /nfs/dbraw/zinc/67/52/16/780675216.db2.gz OJDWAKILBZUTPI-ZFWWWQNUSA-N 0 3 292.448 2.960 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033444541 780683887 /nfs/dbraw/zinc/68/38/87/780683887.db2.gz RLAJRCYETHYOLY-OAHLLOKOSA-N 0 3 297.402 2.890 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001033452140 780685349 /nfs/dbraw/zinc/68/53/49/780685349.db2.gz ALDDUPDLNIHDMG-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033535613 780711445 /nfs/dbraw/zinc/71/14/45/780711445.db2.gz DCQULJHQTNPONW-AWEZNQCLSA-N 0 3 287.407 2.615 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001033627274 780734743 /nfs/dbraw/zinc/73/47/43/780734743.db2.gz ZZEKPGYGSSVIOM-MRXNPFEDSA-N 0 3 299.418 2.681 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033677537 780746515 /nfs/dbraw/zinc/74/65/15/780746515.db2.gz BXVJVKZPUUWGOD-SJORKVTESA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033716164 780761280 /nfs/dbraw/zinc/76/12/80/780761280.db2.gz TWRYSZKXUQJEKG-CQSZACIVSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033745988 780775539 /nfs/dbraw/zinc/77/55/39/780775539.db2.gz XFKCGVLVLMMLOQ-CQSZACIVSA-N 0 3 278.421 2.861 20 30 CFEDHN CN1CC=C(c2cccc(C3(C#N)CCOCC3)c2)CC1 ZINC001241330276 780784799 /nfs/dbraw/zinc/78/47/99/780784799.db2.gz NUACNHPOMBXAGO-UHFFFAOYSA-N 0 3 282.387 2.977 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C(C)=C2CCC2)CC1 ZINC001005370708 780796019 /nfs/dbraw/zinc/79/60/19/780796019.db2.gz ZVRAGUZODRBOPF-UHFFFAOYSA-N 0 3 262.397 2.596 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2ccns2)C1 ZINC001033847241 780807738 /nfs/dbraw/zinc/80/77/38/780807738.db2.gz VSIZYIGSMSBBLH-ZDUSSCGKSA-N 0 3 293.436 2.646 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033951667 780836097 /nfs/dbraw/zinc/83/60/97/780836097.db2.gz KUBGPIFJGNHJQW-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034070322 780877527 /nfs/dbraw/zinc/87/75/27/780877527.db2.gz WOFIMIPNXZSQPA-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2sccc2C)C1 ZINC001034082593 780882124 /nfs/dbraw/zinc/88/21/24/780882124.db2.gz KUOIVDUTOBWWKZ-AWEZNQCLSA-N 0 3 290.432 2.664 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001034146031 780905903 /nfs/dbraw/zinc/90/59/03/780905903.db2.gz NBAXHKRHBDCSBI-INIZCTEOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001034166532 780913835 /nfs/dbraw/zinc/91/38/35/780913835.db2.gz XWWWIGDSOIHKRR-JKSUJKDBSA-N 0 3 289.423 2.596 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034167074 780914207 /nfs/dbraw/zinc/91/42/07/780914207.db2.gz ZLLYLOIKLHNFCV-OAHLLOKOSA-N 0 3 288.391 2.504 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034203231 780920102 /nfs/dbraw/zinc/92/01/02/780920102.db2.gz YJCKVGWLZJYHGO-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034265369 780935273 /nfs/dbraw/zinc/93/52/73/780935273.db2.gz KHSSBVWYZVDCSN-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279826 780938344 /nfs/dbraw/zinc/93/83/44/780938344.db2.gz PUTUSWCFCKNWPQ-AWEZNQCLSA-N 0 3 282.403 2.816 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034328901 780945517 /nfs/dbraw/zinc/94/55/17/780945517.db2.gz CJXZQJBZHHPPBY-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034318717 780945640 /nfs/dbraw/zinc/94/56/40/780945640.db2.gz FAKDPBHZVRQBOD-XHSDSOJGSA-N 0 3 276.424 2.579 20 30 CFEDHN Cc1nc(C#N)cc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241503596 780947103 /nfs/dbraw/zinc/94/71/03/780947103.db2.gz WQVSGYYMOITSMZ-UHFFFAOYSA-N 0 3 290.370 2.946 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356726 780950973 /nfs/dbraw/zinc/95/09/73/780950973.db2.gz SLFSOXISNOYOOQ-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034368388 780955363 /nfs/dbraw/zinc/95/53/63/780955363.db2.gz NBNAVMOZKIQOQM-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001034352497 780955222 /nfs/dbraw/zinc/95/52/22/780955222.db2.gz PRXYZRMAWOEODN-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034352941 780955291 /nfs/dbraw/zinc/95/52/91/780955291.db2.gz FKQPCRQZAOHAQU-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001034373514 780956508 /nfs/dbraw/zinc/95/65/08/780956508.db2.gz SYSHUZSRTWMNLC-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034408901 780965173 /nfs/dbraw/zinc/96/51/73/780965173.db2.gz OBOKVHRAMHHGSL-BZUAXINKSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034425265 780967957 /nfs/dbraw/zinc/96/79/57/780967957.db2.gz PKZKMAMTNYEYCN-LSDHHAIUSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034415720 780971034 /nfs/dbraw/zinc/97/10/34/780971034.db2.gz KONPWOPXCHTSNI-HNNXBMFYSA-N 0 3 289.423 2.792 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034445528 780973862 /nfs/dbraw/zinc/97/38/62/780973862.db2.gz VHJHSZRVIBOQNU-HNNXBMFYSA-N 0 3 290.432 2.664 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001034481619 780982471 /nfs/dbraw/zinc/98/24/71/780982471.db2.gz VMCXGMJYXJERIJ-GFCCVEGCSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034499638 780985150 /nfs/dbraw/zinc/98/51/50/780985150.db2.gz VZBHBCKFRRIMEU-FGTMMUONSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001034523455 780991344 /nfs/dbraw/zinc/99/13/44/780991344.db2.gz LCYAHVHUBZZWJA-OAHLLOKOSA-N 0 3 297.402 2.938 20 30 CFEDHN COCCN(C)Cc1ccnc(-c2cc(F)cc(C#N)c2)c1 ZINC001241655613 781050631 /nfs/dbraw/zinc/05/06/31/781050631.db2.gz VDQVWPXARWBYFN-UHFFFAOYSA-N 0 3 299.349 2.838 20 30 CFEDHN CCCCCCCNC(=O)[C@@]1(N)C[C@H](OCC)C1(C)C ZINC000703783211 781061634 /nfs/dbraw/zinc/06/16/34/781061634.db2.gz UPYAFGUNUPOHOR-BBRMVZONSA-N 0 3 284.444 2.606 20 30 CFEDHN CC#CCNCCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001129156051 781137924 /nfs/dbraw/zinc/13/79/24/781137924.db2.gz ZFDYXNNFPFYBBH-UYSNPLJNSA-N 0 3 278.440 2.568 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)/C=C(/C)C1CC1)CC2 ZINC001035661408 781152643 /nfs/dbraw/zinc/15/26/43/781152643.db2.gz OODXFBOIKGGEFG-GDNBJRDFSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)C1CCC1)CC2 ZINC001035730665 781161892 /nfs/dbraw/zinc/16/18/92/781161892.db2.gz SAMHCQZNTRWJBE-HNNXBMFYSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](F)C1)CC2 ZINC001035777773 781171071 /nfs/dbraw/zinc/17/10/71/781171071.db2.gz PBRFKQWBCOLEGM-LSDHHAIUSA-N 0 3 294.414 2.625 20 30 CFEDHN Cc1cc(-c2ccc3c(c2)CN(C)CC3)cnc1C#N ZINC001242357801 781432791 /nfs/dbraw/zinc/43/27/91/781432791.db2.gz OAFBFTCVJGNKFM-UHFFFAOYSA-N 0 3 263.344 2.917 20 30 CFEDHN Cc1ccc(C#N)cc1-c1cccc(CN(C)C)n1 ZINC001242544278 781582555 /nfs/dbraw/zinc/58/25/55/781582555.db2.gz VPXMVSMWGCAGCZ-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN N#Cc1cc(-c2cccc(Cn3cc[nH+]c3N)c2)ccc1[O-] ZINC001242566926 781606612 /nfs/dbraw/zinc/60/66/12/781606612.db2.gz NHYOBWUMFMKRAB-UHFFFAOYSA-N 0 3 290.326 2.758 20 30 CFEDHN COCCN(C)Cc1ccnc(-c2ccc(F)cc2C#N)c1 ZINC001242582547 781615489 /nfs/dbraw/zinc/61/54/89/781615489.db2.gz TZJPQQQXDZJIFO-UHFFFAOYSA-N 0 3 299.349 2.838 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001079711554 781616720 /nfs/dbraw/zinc/61/67/20/781616720.db2.gz CPLGRTLWKJRBPO-LAVFITLUSA-N 0 3 298.430 2.803 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098861772 781618296 /nfs/dbraw/zinc/61/82/96/781618296.db2.gz FNOAXZIIWYERNG-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001079746597 781619251 /nfs/dbraw/zinc/61/92/51/781619251.db2.gz ZKVLNOQVYPGYSQ-UKRRQHHQSA-N 0 3 290.382 2.760 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001079869196 781624498 /nfs/dbraw/zinc/62/44/98/781624498.db2.gz BZBPLOJBDVHOLD-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079949319 781629121 /nfs/dbraw/zinc/62/91/21/781629121.db2.gz YEYQMIRBOAFOJH-BRWVUGGUSA-N 0 3 288.435 2.583 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001080063088 781634200 /nfs/dbraw/zinc/63/42/00/781634200.db2.gz OGENMDQSORVINX-IAQYHMDHSA-N 0 3 292.448 2.991 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001080184934 781638984 /nfs/dbraw/zinc/63/89/84/781638984.db2.gz YLKOLIKVIKTETH-RDTXWAMCSA-N 0 3 298.430 2.729 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001080231597 781640700 /nfs/dbraw/zinc/64/07/00/781640700.db2.gz PTCJODYHVVLPNU-CZUORRHYSA-N 0 3 298.386 2.598 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001080510071 781664439 /nfs/dbraw/zinc/66/44/39/781664439.db2.gz QZNHBMISPOWUEW-CZUORRHYSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001080563730 781669355 /nfs/dbraw/zinc/66/93/55/781669355.db2.gz ASFTXJNZZDLVCE-IUODEOHRSA-N 0 3 292.448 2.612 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001080974282 781686310 /nfs/dbraw/zinc/68/63/10/781686310.db2.gz PZNGRZWDDPGENL-DVOMOZLQSA-N 0 3 290.382 2.552 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001081028529 781693029 /nfs/dbraw/zinc/69/30/29/781693029.db2.gz NSNMUYKHVSCDRS-RDTXWAMCSA-N 0 3 298.430 2.802 20 30 CFEDHN C#CCNC1(CNC(=O)[C@H](CCC)CC(C)C)CCC1 ZINC001273209030 781755163 /nfs/dbraw/zinc/75/51/63/781755163.db2.gz VFYLIDKDSJLLLP-OAHLLOKOSA-N 0 3 278.440 2.711 20 30 CFEDHN CC(=NN[C@@H]1CCCSC1)c1ccc(N)cc1C ZINC001119364409 781767345 /nfs/dbraw/zinc/76/73/45/781767345.db2.gz LZDBAVOHGJWUSE-CYBMUJFWSA-N 0 3 263.410 2.786 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001084174360 781778093 /nfs/dbraw/zinc/77/80/93/781778093.db2.gz WXCRVOFXQAEJJK-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001084325222 781787859 /nfs/dbraw/zinc/78/78/59/781787859.db2.gz MXDFXNGWOPNEIF-DGCLKSJQSA-N 0 3 294.395 2.610 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098905514 781800711 /nfs/dbraw/zinc/80/07/11/781800711.db2.gz OJZFZGUGEBMADX-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C1CCC(C(=O)N2C[C@H]3CCN(CCCF)C[C@H]32)CC1 ZINC001084634546 781812844 /nfs/dbraw/zinc/81/28/44/781812844.db2.gz WIAGNYAKBRXBMF-HZPDHXFCSA-N 0 3 294.414 2.625 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(CC)CCCC3)[C@@H]2C1 ZINC001084749751 781829095 /nfs/dbraw/zinc/82/90/95/781829095.db2.gz HEVJZIBXEYNJHW-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C[C@@H](C(=O)N1C[C@H]2CCN(CC)C[C@H]21)c1ccccc1 ZINC001084847038 781844574 /nfs/dbraw/zinc/84/45/74/781844574.db2.gz IVUDZJKWHUXZCR-BRWVUGGUSA-N 0 3 284.403 2.509 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)SC ZINC001098923120 781847267 /nfs/dbraw/zinc/84/72/67/781847267.db2.gz YTNDVIFXKICYHJ-UONOGXRCSA-N 0 3 298.496 2.921 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230978623 781886542 /nfs/dbraw/zinc/88/65/42/781886542.db2.gz YZOPHNTWTBVKAU-JKSUJKDBSA-N 0 3 296.455 2.546 20 30 CFEDHN CC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H](O)C(F)F ZINC000594508804 349435000 /nfs/dbraw/zinc/43/50/00/349435000.db2.gz WNSGODZGVRUHDS-KGLIPLIRSA-N 0 3 296.361 2.982 20 30 CFEDHN N#Cc1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)o1 ZINC000594508125 349435197 /nfs/dbraw/zinc/43/51/97/349435197.db2.gz AYSWSPYUTMMTAM-GJZGRUSLSA-N 0 3 260.337 2.589 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000594514870 349438277 /nfs/dbraw/zinc/43/82/77/349438277.db2.gz LLFMNGNOSWOELD-NSHDSACASA-N 0 3 292.354 2.765 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594519828 349440203 /nfs/dbraw/zinc/44/02/03/349440203.db2.gz LRSMRIFTOXDEID-DLBZAZTESA-N 0 3 287.382 2.804 20 30 CFEDHN CCC(C)(C)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000594594227 349454735 /nfs/dbraw/zinc/45/47/35/349454735.db2.gz MLAZHQHHJZVGQO-UHFFFAOYSA-N 0 3 257.381 2.869 20 30 CFEDHN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919017 349506628 /nfs/dbraw/zinc/50/66/28/349506628.db2.gz VJTLNPCCBCXLDR-UONOGXRCSA-N 0 3 299.418 2.635 20 30 CFEDHN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919015 349506737 /nfs/dbraw/zinc/50/67/37/349506737.db2.gz VJTLNPCCBCXLDR-KBPBESRZSA-N 0 3 299.418 2.635 20 30 CFEDHN C[C@]1(NCc2ccc(C3(C#N)CC3)cc2)CCOC1 ZINC000594936528 349518269 /nfs/dbraw/zinc/51/82/69/349518269.db2.gz MVFXRVBJTFFSRM-HNNXBMFYSA-N 0 3 256.349 2.510 20 30 CFEDHN CC(C)(C#N)CCN1CCCN(CCC(C)(C)C#N)CC1 ZINC000095989319 185057549 /nfs/dbraw/zinc/05/75/49/185057549.db2.gz LBNXBONNLVJDMS-UHFFFAOYSA-N 0 3 290.455 2.874 20 30 CFEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cn[nH]c1 ZINC000594939338 349520206 /nfs/dbraw/zinc/52/02/06/349520206.db2.gz VPSCEEYKACXOQC-LBPRGKRZSA-N 0 3 266.348 2.816 20 30 CFEDHN C[C@H]1CC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594943336 349521652 /nfs/dbraw/zinc/52/16/52/349521652.db2.gz CBIHSYFCKBAKBW-XJKSGUPXSA-N 0 3 270.376 2.899 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1cnc2ccc(C#N)cn12 ZINC000594957886 349529305 /nfs/dbraw/zinc/52/93/05/349529305.db2.gz WHBCPPTTXATVGP-OAHLLOKOSA-N 0 3 298.390 2.501 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)cc1F)c1ccccn1 ZINC000594956842 349528377 /nfs/dbraw/zinc/52/83/77/349528377.db2.gz VCJSWVXOZIJOBO-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN CCc1ncc(CNCCc2ccc(C#N)cc2)s1 ZINC000594956729 349528490 /nfs/dbraw/zinc/52/84/90/349528490.db2.gz ZTFLKOXORWTLBN-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1cccc(C#N)c1 ZINC000594957869 349528946 /nfs/dbraw/zinc/52/89/46/349528946.db2.gz VXRLOROPLPRWSW-INIZCTEOSA-N 0 3 258.365 2.853 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NCc1ccc(C#N)s1 ZINC000594978968 349537800 /nfs/dbraw/zinc/53/78/00/349537800.db2.gz DTZVAICEPMEEST-CYBMUJFWSA-N 0 3 277.437 2.830 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000594986693 349539779 /nfs/dbraw/zinc/53/97/79/349539779.db2.gz GJRSSMXDVCEKBV-HOTGVXAUSA-N 0 3 284.403 2.881 20 30 CFEDHN COc1cc(CN[C@@H](C)CSCCF)ccc1C#N ZINC000595046889 349562788 /nfs/dbraw/zinc/56/27/88/349562788.db2.gz CUQNYIVQMPLBNA-NSHDSACASA-N 0 3 282.384 2.748 20 30 CFEDHN Cc1nccnc1[C@@H](C)NCCc1ccc(C#N)cc1 ZINC000595055393 349567437 /nfs/dbraw/zinc/56/74/37/349567437.db2.gz CFVLDGYAHZIETM-GFCCVEGCSA-N 0 3 266.348 2.550 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H]([S@](C)=O)C1)c1cccc(C#N)c1 ZINC000595060101 349570514 /nfs/dbraw/zinc/57/05/14/349570514.db2.gz LRNRCDLMRGSZFZ-DVNRBFFJSA-N 0 3 290.432 2.899 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595061109 349571099 /nfs/dbraw/zinc/57/10/99/349571099.db2.gz PDUOSTISXZMPBZ-ONGXEEELSA-N 0 3 284.285 2.667 20 30 CFEDHN C=CCCSCCN[C@@H](CC)c1nccn1C ZINC000595061037 349571186 /nfs/dbraw/zinc/57/11/86/349571186.db2.gz XGKGEFDCFYIDNK-LBPRGKRZSA-N 0 3 253.415 2.770 20 30 CFEDHN CN(C)C[C@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000337016113 282133806 /nfs/dbraw/zinc/13/38/06/282133806.db2.gz LUOFALYCNHQXAW-SNVBAGLBSA-N 0 3 298.312 2.502 20 30 CFEDHN CC(C)CNC(=O)CCCN(C)Cc1ccc(C#N)cc1 ZINC000595286418 349589907 /nfs/dbraw/zinc/58/99/07/349589907.db2.gz CLMBHQUAUAQUJV-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN C[C@@H](NC[C@@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000595092827 349579310 /nfs/dbraw/zinc/57/93/10/349579310.db2.gz XHBZRZRUXQAOGX-RISCZKNCSA-N 0 3 276.355 2.757 20 30 CFEDHN C[C@H]1N(C(=O)[C@H](N)CCCC#N)c2ccccc2C1(C)C ZINC000595256919 349588222 /nfs/dbraw/zinc/58/82/22/349588222.db2.gz FKQGKOCTYMOORD-TZMCWYRMSA-N 0 3 285.391 2.720 20 30 CFEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](N)CCCCC#N)[C@H](C)C2 ZINC000595256748 349588263 /nfs/dbraw/zinc/58/82/63/349588263.db2.gz DPFLZNSSJGEICF-XYPHTWIQSA-N 0 3 299.418 2.756 20 30 CFEDHN CC1(C)CC(CNC(=O)[C@H](N)CCCC#N)CC(C)(C)C1 ZINC000595269292 349588953 /nfs/dbraw/zinc/58/89/53/349588953.db2.gz MSWXRKIGRGGRCV-CQSZACIVSA-N 0 3 293.455 2.976 20 30 CFEDHN C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000595260317 349589240 /nfs/dbraw/zinc/58/92/40/349589240.db2.gz ZMMKVGANUCCVGE-ZFWWWQNUSA-N 0 3 279.428 2.730 20 30 CFEDHN Cc1cccc2c1CCC[C@@H]2NC(=O)[C@@H](N)CCCCC#N ZINC000595260032 349589438 /nfs/dbraw/zinc/58/94/38/349589438.db2.gz SMQFOJYWHBNOLA-IRXDYDNUSA-N 0 3 299.418 2.900 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cccnc2N2CCCC2)C1 ZINC000595074055 349574885 /nfs/dbraw/zinc/57/48/85/349574885.db2.gz SUMLBLCGSRFECN-GDBMZVCRSA-N 0 3 284.407 2.854 20 30 CFEDHN CCO[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595323035 349602532 /nfs/dbraw/zinc/60/25/32/349602532.db2.gz VKUJWWRHXQPKPX-MRXNPFEDSA-N 0 3 258.365 2.602 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000595295710 349594780 /nfs/dbraw/zinc/59/47/80/349594780.db2.gz PZGMEKMYRXZNMC-INIZCTEOSA-N 0 3 258.365 2.602 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CC=CC3)CC2)c(F)c1 ZINC000595301830 349597168 /nfs/dbraw/zinc/59/71/68/349597168.db2.gz QYZYNPYMIUTUTR-UHFFFAOYSA-N 0 3 285.366 2.786 20 30 CFEDHN N#Cc1ccc(N2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c(F)c1 ZINC000595302959 349597373 /nfs/dbraw/zinc/59/73/73/349597373.db2.gz YDRSFACCWVNGJK-MUJYYYPQSA-N 0 3 299.393 2.865 20 30 CFEDHN Cc1nnc([C@H]2CCCN(CCc3ccc(C#N)cc3)C2)o1 ZINC000595307646 349598200 /nfs/dbraw/zinc/59/82/00/349598200.db2.gz XKQMQJHBBDDRAY-INIZCTEOSA-N 0 3 296.374 2.672 20 30 CFEDHN C[C@@H]1N(CCc2ccc(C#N)cc2)CCOC1(C)C ZINC000595347187 349607203 /nfs/dbraw/zinc/60/72/03/349607203.db2.gz NWXZAWIHCQJNRU-ZDUSSCGKSA-N 0 3 258.365 2.600 20 30 CFEDHN CC1(C)CN(CCc2ccc(C#N)cc2)CCS1 ZINC000595341487 349605541 /nfs/dbraw/zinc/60/55/41/349605541.db2.gz ALGHQYNUAJNLNP-UHFFFAOYSA-N 0 3 260.406 2.928 20 30 CFEDHN COc1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)cc1C#N ZINC000273098870 192042480 /nfs/dbraw/zinc/04/24/80/192042480.db2.gz VHIKLCGDXQTZFE-DLBZAZTESA-N 0 3 286.375 2.614 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1cccc(C#N)c1 ZINC000595414301 349618842 /nfs/dbraw/zinc/61/88/42/349618842.db2.gz GXVSCPCICGUZCN-NKKGCODLSA-N 0 3 297.402 2.656 20 30 CFEDHN CCN1C[C@H](C)N(CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595404789 349616986 /nfs/dbraw/zinc/61/69/86/349616986.db2.gz NRPDVLUULBAVKA-CABCVRRESA-N 0 3 271.408 2.515 20 30 CFEDHN CCC(CC)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000595399292 349617177 /nfs/dbraw/zinc/61/71/77/349617177.db2.gz VCMAKAFPHBUPAI-HNNXBMFYSA-N 0 3 251.418 2.588 20 30 CFEDHN CO[C@H](CN[C@H](CCC#N)c1ccccc1)[C@@H]1CCOC1 ZINC000595418180 349619732 /nfs/dbraw/zinc/61/97/32/349619732.db2.gz DHSAAQQDFZGBCI-BRWVUGGUSA-N 0 3 288.391 2.673 20 30 CFEDHN COC[C@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595429335 349623583 /nfs/dbraw/zinc/62/35/83/349623583.db2.gz CVJXQMRXNCCILC-HNNXBMFYSA-N 0 3 270.332 2.671 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000595465169 349634867 /nfs/dbraw/zinc/63/48/67/349634867.db2.gz GQBYCCJFIXMQFS-GOSISDBHSA-N 0 3 293.370 2.649 20 30 CFEDHN CC1(C)CN(CCc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000595460907 349633528 /nfs/dbraw/zinc/63/35/28/349633528.db2.gz SGYXURHSXXLNJQ-UHFFFAOYSA-N 0 3 272.392 2.990 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3ccccn3)C2)C1 ZINC000595500837 349643483 /nfs/dbraw/zinc/64/34/83/349643483.db2.gz FSGUPPUDQIVPQX-RBSFLKMASA-N 0 3 255.365 2.953 20 30 CFEDHN CC(C)=CCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595501551 349643547 /nfs/dbraw/zinc/64/35/47/349643547.db2.gz MKRCGGHLXALEPU-HNNXBMFYSA-N 0 3 271.364 2.763 20 30 CFEDHN N#CCSCCCN1CCC[C@@H](c2ccccn2)C1 ZINC000595500410 349643662 /nfs/dbraw/zinc/64/36/62/349643662.db2.gz IZRVEUVCKVEWBN-CQSZACIVSA-N 0 3 275.421 2.908 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C1(CO)CCC1 ZINC000595510183 349647004 /nfs/dbraw/zinc/64/70/04/349647004.db2.gz KPZGEMZDOKZKJS-UHFFFAOYSA-N 0 3 298.308 2.924 20 30 CFEDHN N#CC[C@@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000595612420 349675845 /nfs/dbraw/zinc/67/58/45/349675845.db2.gz WNSWTMOSCUCBDE-ZDUSSCGKSA-N 0 3 262.328 2.830 20 30 CFEDHN CC(C)(NC[C@@H](O)CC(F)(F)F)c1cccc(C#N)c1 ZINC000595639474 349685930 /nfs/dbraw/zinc/68/59/30/349685930.db2.gz IUCILFDXXBUZNI-LBPRGKRZSA-N 0 3 286.297 2.696 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCC2(CCCC2)CC1 ZINC000595642102 349687728 /nfs/dbraw/zinc/68/77/28/349687728.db2.gz NZHAZILZNSMBIU-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@@H](O)CCc2ccccc2)C1 ZINC000595621100 349679391 /nfs/dbraw/zinc/67/93/91/349679391.db2.gz TUVJJYBVAFNRGB-SJORKVTESA-N 0 3 272.392 2.606 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)ccc1C#N ZINC000595623487 349680548 /nfs/dbraw/zinc/68/05/48/349680548.db2.gz RKBCRXQRSQDPOC-AWEZNQCLSA-N 0 3 253.349 2.992 20 30 CFEDHN CCc1cc(CCCN2CCC[C@H](CC#N)C2)on1 ZINC000595622448 349680952 /nfs/dbraw/zinc/68/09/52/349680952.db2.gz ASVVIRYDLKWYGM-CYBMUJFWSA-N 0 3 261.369 2.795 20 30 CFEDHN COC(=O)CC1(CNC(C)(C)c2cccc(C#N)c2)CC1 ZINC000595633734 349683556 /nfs/dbraw/zinc/68/35/56/349683556.db2.gz XQLMLTSIRFJCPZ-UHFFFAOYSA-N 0 3 286.375 2.726 20 30 CFEDHN C=CCN(CC(=O)NCc1ccco1)CC1CCCCC1 ZINC000069859972 346902384 /nfs/dbraw/zinc/90/23/84/346902384.db2.gz CCRYBPSMMKZNNK-UHFFFAOYSA-N 0 3 290.407 2.964 20 30 CFEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1cscn1 ZINC000595668683 349694976 /nfs/dbraw/zinc/69/49/76/349694976.db2.gz OILKSMRCSFIULH-GFCCVEGCSA-N 0 3 279.409 2.894 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000595678200 349698716 /nfs/dbraw/zinc/69/87/16/349698716.db2.gz RJKKONOGQILMOX-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)C#N ZINC000347082955 529540405 /nfs/dbraw/zinc/54/04/05/529540405.db2.gz KWCOZXADQHIXMM-GWCFXTLKSA-N 0 3 264.756 2.937 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1ccccc1C#N ZINC000595670587 349696100 /nfs/dbraw/zinc/69/61/00/349696100.db2.gz FFJUOPZULTXPIU-XJKSGUPXSA-N 0 3 258.365 2.541 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1[C@@H](C)CO ZINC000595679492 349698108 /nfs/dbraw/zinc/69/81/08/349698108.db2.gz WNGIVQAOOLIZSE-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)[C@H]1CCO ZINC000595698602 349707668 /nfs/dbraw/zinc/70/76/68/349707668.db2.gz NGQFPSUDWCTPIR-PBHICJAKSA-N 0 3 297.402 2.794 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741898 349720774 /nfs/dbraw/zinc/72/07/74/349720774.db2.gz FESOISSHJBESIM-RSUWNVLCSA-N 0 3 258.365 2.568 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)CC1=CCCOC1 ZINC000595746706 349721852 /nfs/dbraw/zinc/72/18/52/349721852.db2.gz BRBLYPGTRFKFEG-UHFFFAOYSA-N 0 3 256.349 2.531 20 30 CFEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)[C@@H]1CCO ZINC000595703518 349710444 /nfs/dbraw/zinc/71/04/44/349710444.db2.gz TTWJQASOSIRQBS-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H]1COC2(CCCC2)CN1CCCSCC#N ZINC000595815091 349739660 /nfs/dbraw/zinc/73/96/60/349739660.db2.gz LEMAOOUDYPBHQW-ZDUSSCGKSA-N 0 3 268.426 2.667 20 30 CFEDHN N#Cc1ccc(CCN2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822154 349742273 /nfs/dbraw/zinc/74/22/73/349742273.db2.gz NUTJKLGFQPTBPD-UHFFFAOYSA-N 0 3 296.414 2.992 20 30 CFEDHN CC(C)CC1(N[C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000595832650 349745634 /nfs/dbraw/zinc/74/56/34/349745634.db2.gz GUJXTVUSMHWNMJ-CQSZACIVSA-N 0 3 291.439 2.886 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000595831229 349745681 /nfs/dbraw/zinc/74/56/81/349745681.db2.gz ZFKJRAJFBFFHLA-GDBMZVCRSA-N 0 3 297.402 2.564 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595785031 349732896 /nfs/dbraw/zinc/73/28/96/349732896.db2.gz VTYHRNGNPFKYGP-JKSUJKDBSA-N 0 3 284.403 2.881 20 30 CFEDHN CCc1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1 ZINC000347066505 529631637 /nfs/dbraw/zinc/63/16/37/529631637.db2.gz JXHPMMIZNXGDDQ-LBPRGKRZSA-N 0 3 256.349 2.900 20 30 CFEDHN N#CC1(CC(=O)NC[C@@H](N)c2ccccc2)CCCCC1 ZINC000595924061 349770215 /nfs/dbraw/zinc/77/02/15/349770215.db2.gz GTNZDHZHWSENBS-OAHLLOKOSA-N 0 3 285.391 2.667 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000596118786 349798536 /nfs/dbraw/zinc/79/85/36/349798536.db2.gz CYAPHKVYFNEJSI-OAHLLOKOSA-N 0 3 295.390 2.788 20 30 CFEDHN COc1cccc2c1CC[C@@H](NCC(C)(C)C#N)C2 ZINC000617315622 352535284 /nfs/dbraw/zinc/53/52/84/352535284.db2.gz SGOZUOYJIAVZBC-CYBMUJFWSA-N 0 3 258.365 2.692 20 30 CFEDHN CCc1ccc([C@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000335964247 529727956 /nfs/dbraw/zinc/72/79/56/529727956.db2.gz QPSCXVPFTPIOBE-WFASDCNBSA-N 0 3 256.349 2.725 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@](C)(COC)C2)cc1 ZINC000295020591 199303885 /nfs/dbraw/zinc/30/38/85/199303885.db2.gz CFTRJVNNOWRRNM-SFHVURJKSA-N 0 3 287.403 2.947 20 30 CFEDHN CN1CC[C@H](Nc2ncc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000413214830 529807145 /nfs/dbraw/zinc/80/71/45/529807145.db2.gz WTMXHUDNDUKFHV-JKSUJKDBSA-N 0 3 296.349 2.950 20 30 CFEDHN C#CCCOc1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000128066581 187348777 /nfs/dbraw/zinc/34/87/77/187348777.db2.gz AZESOOUQDWPXJP-KRWDZBQOSA-N 0 3 273.376 2.700 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000596307795 349858858 /nfs/dbraw/zinc/85/88/58/349858858.db2.gz PDWFQHNMUSMWGL-GFCCVEGCSA-N 0 3 295.390 2.786 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000073279225 346967388 /nfs/dbraw/zinc/96/73/88/346967388.db2.gz WUVKPOAZIRVYMX-HNNXBMFYSA-N 0 3 280.799 2.929 20 30 CFEDHN Cc1nsc(N[C@H]2CCN(C(C)(C)C)C2)c1C#N ZINC000596336612 349869217 /nfs/dbraw/zinc/86/92/17/349869217.db2.gz QRMZJCKLDSDXTC-JTQLQIEISA-N 0 3 264.398 2.608 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)C[C@@H]2CC)CC1 ZINC000074130032 346998980 /nfs/dbraw/zinc/99/89/80/346998980.db2.gz RLBSZWSNQRDRLG-HOCLYGCPSA-N 0 3 293.455 2.857 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCN(C3CCCCC3)C2)c(F)c1 ZINC000596478111 349913854 /nfs/dbraw/zinc/91/38/54/349913854.db2.gz GQNAUDVYWNSKFE-ZDUSSCGKSA-N 0 3 288.370 2.911 20 30 CFEDHN C=CCCOCC(=O)N(CCN1CCCCCC1)C(C)C ZINC000672491514 539395042 /nfs/dbraw/zinc/39/50/42/539395042.db2.gz BRUUCVZPHKZSHP-UHFFFAOYSA-N 0 3 296.455 2.692 20 30 CFEDHN CC(C)CC[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000563000234 290091747 /nfs/dbraw/zinc/09/17/47/290091747.db2.gz JATHQONKKFSNTR-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)c1nnc(CCNCc2cc(C#N)cs2)s1 ZINC000492354433 534965093 /nfs/dbraw/zinc/96/50/93/534965093.db2.gz FLLUAXBXFGRXQN-UHFFFAOYSA-N 0 3 292.433 2.927 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000668368474 539430694 /nfs/dbraw/zinc/43/06/94/539430694.db2.gz AFECRVIALIJCTA-FVQHAEBGSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H](C)c2ccc(C)cc2)CC1 ZINC000127368225 187300153 /nfs/dbraw/zinc/30/01/53/187300153.db2.gz YKPJNOULYBRILU-INIZCTEOSA-N 0 3 298.430 2.560 20 30 CFEDHN COc1ccc(CNCCc2ncccc2C)cc1C#N ZINC000295116558 199353504 /nfs/dbraw/zinc/35/35/04/199353504.db2.gz WVEIGRPBSLKISO-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000677048510 539532676 /nfs/dbraw/zinc/53/26/76/539532676.db2.gz ZQEHFCRTUMZISF-HNNXBMFYSA-N 0 3 290.451 2.949 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)c1cccc(C#N)c1 ZINC000024808201 346256595 /nfs/dbraw/zinc/25/65/95/346256595.db2.gz RBKSBHNPXNKPHP-UHFFFAOYSA-N 0 3 279.343 2.872 20 30 CFEDHN C[C@H](N(C)CC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000027132181 346268094 /nfs/dbraw/zinc/26/80/94/346268094.db2.gz XBYGVDZSJRJGMO-LBPRGKRZSA-N 0 3 273.380 2.863 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574275 346353522 /nfs/dbraw/zinc/35/35/22/346353522.db2.gz ZTFAMBYLADBARW-AWEZNQCLSA-N 0 3 265.316 2.892 20 30 CFEDHN C[C@@H]1CCCN(CCNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000047405033 346449723 /nfs/dbraw/zinc/44/97/23/346449723.db2.gz GOJDYALIYMSMFX-GFCCVEGCSA-N 0 3 288.351 2.610 20 30 CFEDHN CCCCCN(CC(=O)N[C@](C)(C#N)C1CC1)C(C)C ZINC000051709052 346506379 /nfs/dbraw/zinc/50/63/79/346506379.db2.gz VUQZSRDJHIIOQE-MRXNPFEDSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000051064198 346499723 /nfs/dbraw/zinc/49/97/23/346499723.db2.gz QDVWNKVIFDPNNX-QGZVFWFLSA-N 0 3 286.419 2.552 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCOC1 ZINC000054272557 346563827 /nfs/dbraw/zinc/56/38/27/346563827.db2.gz JUFKAEFRNILJSD-HNNXBMFYSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1Cc1ccccc1 ZINC000055505135 346591428 /nfs/dbraw/zinc/59/14/28/346591428.db2.gz VOPVUVODHLHKRX-GOSISDBHSA-N 0 3 298.430 2.894 20 30 CFEDHN C=CCN(CC=C)CCC(=O)N1CCc2sccc2C1 ZINC000056493618 346609551 /nfs/dbraw/zinc/60/95/51/346609551.db2.gz MAEOYSAGTRHZQK-UHFFFAOYSA-N 0 3 290.432 2.697 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058579086 346646772 /nfs/dbraw/zinc/64/67/72/346646772.db2.gz DJPLRDDEZCGPQB-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN CCN1CCC(N(C(=O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000057370726 346625583 /nfs/dbraw/zinc/62/55/83/346625583.db2.gz ZHDRSTUFNACFAH-UHFFFAOYSA-N 0 3 297.402 2.647 20 30 CFEDHN C[C@@H](CNC(=O)c1cccc(CC#N)c1)N1CCC(C)CC1 ZINC000067270222 346796418 /nfs/dbraw/zinc/79/64/18/346796418.db2.gz YJDOORXNPDTNHA-HNNXBMFYSA-N 0 3 299.418 2.603 20 30 CFEDHN N#Cc1nc(N2CC[C@@H](N3CCCCC3)C2)ccc1Cl ZINC000067372579 346799840 /nfs/dbraw/zinc/79/98/40/346799840.db2.gz BWOZRUWAEIIMHT-GFCCVEGCSA-N 0 3 290.798 2.671 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)cc1)c1ccsc1 ZINC000077460498 347193275 /nfs/dbraw/zinc/19/32/75/347193275.db2.gz OFQZBYBQVBTMPE-OAHLLOKOSA-N 0 3 272.373 2.617 20 30 CFEDHN CCC1(O)CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000266571984 282527319 /nfs/dbraw/zinc/52/73/19/282527319.db2.gz DMDOGDBWTBFEFR-CYBMUJFWSA-N 0 3 258.365 2.856 20 30 CFEDHN CCCN1CCCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000078251245 347233855 /nfs/dbraw/zinc/23/38/55/347233855.db2.gz INBKSSCOEQWARA-UHFFFAOYSA-N 0 3 279.334 2.759 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000079267627 347295282 /nfs/dbraw/zinc/29/52/82/347295282.db2.gz ANJSNFJRJGKEMJ-GJZGRUSLSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000079004355 347284289 /nfs/dbraw/zinc/28/42/89/347284289.db2.gz ICNFEHWMLLSYRN-NSHDSACASA-N 0 3 292.342 2.579 20 30 CFEDHN C[S@@](=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000080359203 347355511 /nfs/dbraw/zinc/35/55/11/347355511.db2.gz OKVSBDINNGJRFC-FQEVSTJZSA-N 0 3 284.384 2.585 20 30 CFEDHN C[S@](=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000080359210 347355557 /nfs/dbraw/zinc/35/55/57/347355557.db2.gz OKVSBDINNGJRFC-HXUWFJFHSA-N 0 3 284.384 2.585 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCCN1CCc1ccccc1 ZINC000079605365 347316715 /nfs/dbraw/zinc/31/67/15/347316715.db2.gz JZPJLNJYGSPFOZ-QGZVFWFLSA-N 0 3 286.419 2.776 20 30 CFEDHN CN(C)CCN(C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000080685206 347375030 /nfs/dbraw/zinc/37/50/30/347375030.db2.gz RTTMUXOTCNKFMM-UHFFFAOYSA-N 0 3 288.782 2.758 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080973226 347391396 /nfs/dbraw/zinc/39/13/96/347391396.db2.gz RTAVHTBBIHLRPI-OAHLLOKOSA-N 0 3 266.348 2.661 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(Cc2ccncc2)CC1 ZINC000089267645 347514519 /nfs/dbraw/zinc/51/45/19/347514519.db2.gz BQACIHIHYNBOHF-INIZCTEOSA-N 0 3 273.424 2.944 20 30 CFEDHN C=CCOc1ccccc1CN(C)C[C@H]1CCC[C@@H]1O ZINC000091899293 347602358 /nfs/dbraw/zinc/60/23/58/347602358.db2.gz RIUPHYUEPYMZIE-ZBFHGGJFSA-N 0 3 275.392 2.844 20 30 CFEDHN CN(C)CCNc1ccc(C#N)cc1C(F)(F)F ZINC000090998369 347564436 /nfs/dbraw/zinc/56/44/36/347564436.db2.gz VIEIETKWYWOULH-UHFFFAOYSA-N 0 3 257.259 2.551 20 30 CFEDHN C[C@H]1CC[C@H](C)N1Cc1cnc2ccc(C#N)cn12 ZINC000091937543 347604129 /nfs/dbraw/zinc/60/41/29/347604129.db2.gz JQUMFFFWCKCQEQ-RYUDHWBXSA-N 0 3 254.337 2.579 20 30 CFEDHN C#CCCN1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000091480323 347589415 /nfs/dbraw/zinc/58/94/15/347589415.db2.gz ABOUGUNZLQICRM-UHFFFAOYSA-N 0 3 283.350 2.519 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(Cc2cc(C)on2)CC1 ZINC000091506597 347591305 /nfs/dbraw/zinc/59/13/05/347591305.db2.gz APDZCDMGJPFMEC-CQSZACIVSA-N 0 3 277.412 2.845 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(CCOC(C)C)CC1 ZINC000091588475 347592567 /nfs/dbraw/zinc/59/25/67/347592567.db2.gz BFIADTPIJLBBNF-MRXNPFEDSA-N 0 3 268.445 2.774 20 30 CFEDHN CN1CCC(Nc2ccc3cc(C#N)ccc3n2)CC1 ZINC000092886252 347650029 /nfs/dbraw/zinc/65/00/29/347650029.db2.gz CDMPIOOIRKASQK-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN C#CCN(Cc1ccc(-n2cncn2)cc1)C1CCCC1 ZINC000093819820 347684233 /nfs/dbraw/zinc/68/42/33/347684233.db2.gz STUCUNOBOKEDLT-UHFFFAOYSA-N 0 3 280.375 2.645 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@@H](Oc2ccncc2)C1 ZINC000093866345 347686461 /nfs/dbraw/zinc/68/64/61/347686461.db2.gz VAAQKNAVEGNVLG-OAHLLOKOSA-N 0 3 273.380 2.865 20 30 CFEDHN C[C@H](CNc1cnccc1C#N)N(C)Cc1ccccc1 ZINC000094157769 347693665 /nfs/dbraw/zinc/69/36/65/347693665.db2.gz ISBHZVFXOARIDA-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN CCn1nc(C)cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000102115890 347716679 /nfs/dbraw/zinc/71/66/79/347716679.db2.gz ABGOOPFYVNUWKZ-LLVKDONJSA-N 0 3 293.330 2.578 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NCc1ccccc1 ZINC000150880318 347957606 /nfs/dbraw/zinc/95/76/06/347957606.db2.gz IWYNJYPSEDEAHO-UHFFFAOYSA-N 0 3 274.408 2.981 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC2(CCCC2)CC1 ZINC000158443467 348007154 /nfs/dbraw/zinc/00/71/54/348007154.db2.gz RFGRYZCTYNYWRU-HNNXBMFYSA-N 0 3 291.439 2.651 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000159310227 348012222 /nfs/dbraw/zinc/01/22/22/348012222.db2.gz NLSHHOALVAPKIB-UHFFFAOYSA-N 0 3 293.798 2.624 20 30 CFEDHN C=CCCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000172175476 348088142 /nfs/dbraw/zinc/08/81/42/348088142.db2.gz IJHWVTVSAQCSIS-UHFFFAOYSA-N 0 3 273.355 2.786 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184092463 348127225 /nfs/dbraw/zinc/12/72/25/348127225.db2.gz LPFDDKOOOGKEQR-UAGQMJEPSA-N 0 3 271.408 2.789 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000668596241 539606754 /nfs/dbraw/zinc/60/67/54/539606754.db2.gz ZSHVEWODDBWOKU-NVXWUHKLSA-N 0 3 273.376 2.720 20 30 CFEDHN COc1ccc(CNCCSC)cc1OCCCC#N ZINC000237241851 348239780 /nfs/dbraw/zinc/23/97/80/348239780.db2.gz OWLVZHJNJBGIFN-UHFFFAOYSA-N 0 3 294.420 2.830 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC000285537440 348345624 /nfs/dbraw/zinc/34/56/24/348345624.db2.gz FSSKCYSEECTCJI-WBVHZDCISA-N 0 3 299.418 2.832 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000311271226 348412226 /nfs/dbraw/zinc/41/22/26/348412226.db2.gz KWXFHZKIPGTIKI-BBRMVZONSA-N 0 3 258.365 2.866 20 30 CFEDHN Cc1nc(N2CC[C@H](N3CCCC3)C2)c(Cl)cc1C#N ZINC000312501350 348418804 /nfs/dbraw/zinc/41/88/04/348418804.db2.gz FDMQOQGYXCEPOC-ZDUSSCGKSA-N 0 3 290.798 2.590 20 30 CFEDHN C[C@H](CNc1ncc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000413050270 233011568 /nfs/dbraw/zinc/01/15/68/233011568.db2.gz DCHJNEXJILHGHN-NWDGAFQWSA-N 0 3 276.359 2.625 20 30 CFEDHN Cc1cccc2c1CC(C)(C)N(C(=O)C(C)C#N)C2 ZINC000334528612 348447082 /nfs/dbraw/zinc/44/70/82/348447082.db2.gz OTRUTSYZRUMFJB-LBPRGKRZSA-N 0 3 256.349 2.818 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)c1ncc(C#N)cc1F ZINC000413205989 233034751 /nfs/dbraw/zinc/03/47/51/233034751.db2.gz YUIKSTGTGRKOMB-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN CC(C)O[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000404686072 348593843 /nfs/dbraw/zinc/59/38/43/348593843.db2.gz GKDGHUZQCUQQSE-KRWDZBQOSA-N 0 3 288.391 2.826 20 30 CFEDHN C[C@@H]1CN(CCOCCC#N)CCc2ccccc21 ZINC000404702567 348594275 /nfs/dbraw/zinc/59/42/75/348594275.db2.gz GQEQKHSEZHJQQL-CQSZACIVSA-N 0 3 258.365 2.578 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](CC#N)C1 ZINC000397752920 348564031 /nfs/dbraw/zinc/56/40/31/348564031.db2.gz PTTGIASDVWYREM-CQSZACIVSA-N 0 3 253.349 2.992 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H]2CC[C@H](C)O2)cc1 ZINC000398140258 348566712 /nfs/dbraw/zinc/56/67/12/348566712.db2.gz ZFMTYVZMMOCFLL-BBRMVZONSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccc(CNC[C@H]2CC[C@H](C)O2)cc1 ZINC000398140263 348566838 /nfs/dbraw/zinc/56/68/38/348566838.db2.gz ZFMTYVZMMOCFLL-XJKSGUPXSA-N 0 3 261.365 2.909 20 30 CFEDHN C[C@@](CO)(NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000399178046 348568692 /nfs/dbraw/zinc/56/86/92/348568692.db2.gz KNNDDRTUCFHSOT-SFHVURJKSA-N 0 3 280.371 2.750 20 30 CFEDHN CC(C)(CN1CCCC1)NCc1ccc(F)cc1C#N ZINC000452097383 535077158 /nfs/dbraw/zinc/07/71/58/535077158.db2.gz QPWPJSDUJDAEMI-UHFFFAOYSA-N 0 3 275.371 2.661 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)CC(C)(C)C#N ZINC000584851317 348723382 /nfs/dbraw/zinc/72/33/82/348723382.db2.gz UEWFEEZGPQVQPG-UHFFFAOYSA-N 0 3 288.395 2.982 20 30 CFEDHN Cc1csc(CCCCNC[C@@H](C#N)CCC#N)n1 ZINC000580064145 348672653 /nfs/dbraw/zinc/67/26/53/348672653.db2.gz NCRNWXDXJFJWIK-CYBMUJFWSA-N 0 3 276.409 2.807 20 30 CFEDHN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000585726666 348740470 /nfs/dbraw/zinc/74/04/70/348740470.db2.gz YYGOSOVCGGOJCF-MEBBXXQBSA-N 0 3 252.321 2.619 20 30 CFEDHN Cc1nc(N[C@@H]2CCN(CC3CC3)C2)c(Cl)cc1C#N ZINC000589686840 348849980 /nfs/dbraw/zinc/84/99/80/348849980.db2.gz QXYFHXFJPVFKCX-CYBMUJFWSA-N 0 3 290.798 2.811 20 30 CFEDHN CC(C)C[C@H](C)CN1CCN(c2cnccc2C#N)CC1 ZINC000590013569 348869819 /nfs/dbraw/zinc/86/98/19/348869819.db2.gz CKXYNSTVHXKEIM-HNNXBMFYSA-N 0 3 286.423 2.757 20 30 CFEDHN C[C@@H]1CN(C(=O)CCCCCC#N)CCN(C2CCC2)C1 ZINC000590048302 348870892 /nfs/dbraw/zinc/87/08/92/348870892.db2.gz XILABDKJYCNEGP-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000590154435 348878981 /nfs/dbraw/zinc/87/89/81/348878981.db2.gz BZZDHDKBONELAL-TZMCWYRMSA-N 0 3 274.364 2.828 20 30 CFEDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCOCCC#N ZINC000590171253 348881735 /nfs/dbraw/zinc/88/17/35/348881735.db2.gz KKMUEESYIXDOFH-WDEREUQCSA-N 0 3 264.291 2.579 20 30 CFEDHN Cc1nocc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000590184366 348884242 /nfs/dbraw/zinc/88/42/42/348884242.db2.gz JUJHQLLCXFXVNI-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN CC1(C)OCC[C@@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000590254439 348887334 /nfs/dbraw/zinc/88/73/34/348887334.db2.gz LQBWYJCOAQPCHB-ZDUSSCGKSA-N 0 3 264.756 2.869 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CC23CCC(CC2)C3)CC1 ZINC000590709395 348932228 /nfs/dbraw/zinc/93/22/28/348932228.db2.gz QTEQLKDLYOULFW-CGZBRXJRSA-N 0 3 275.440 2.732 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)CC(C)(C)CO ZINC000590748063 348941782 /nfs/dbraw/zinc/94/17/82/348941782.db2.gz DLSIHXUVLACJHP-UHFFFAOYSA-N 0 3 274.408 2.938 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000590758254 348943641 /nfs/dbraw/zinc/94/36/41/348943641.db2.gz FHOVYKPKAMXGRJ-CVEARBPZSA-N 0 3 270.376 2.921 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000590757354 348944052 /nfs/dbraw/zinc/94/40/52/348944052.db2.gz RIPIDMIXYVQOEJ-CJNGLKHVSA-N 0 3 258.365 2.724 20 30 CFEDHN C[C@]12CN(C[C@H](C#N)CCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000590765079 348944533 /nfs/dbraw/zinc/94/45/33/348944533.db2.gz PTAIYSOHKZFOKD-ZVDSWSACSA-N 0 3 257.381 2.798 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(C)C ZINC000668683472 539693642 /nfs/dbraw/zinc/69/36/42/539693642.db2.gz WSTYFQZSSAVQNO-LTIDMASMSA-N 0 3 290.451 2.847 20 30 CFEDHN COC(=O)C(C)(C)[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000591022860 348979693 /nfs/dbraw/zinc/97/96/93/348979693.db2.gz LNGZOFFSNBJVJQ-STQMWFEESA-N 0 3 266.385 2.590 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000591026505 348980206 /nfs/dbraw/zinc/98/02/06/348980206.db2.gz CVMHOBBKYHYYFE-DOMZBBRYSA-N 0 3 262.328 2.971 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000591733616 349041252 /nfs/dbraw/zinc/04/12/52/349041252.db2.gz AXSGPTZAQYFNJZ-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN CC(C)CC[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000591733693 349041263 /nfs/dbraw/zinc/04/12/63/349041263.db2.gz FWYQVWLJAVSMTD-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN N#CCC[C@@H](C#N)CNC1CCC(OC(F)F)CC1 ZINC000591770416 349043661 /nfs/dbraw/zinc/04/36/61/349043661.db2.gz DWXVAIYCZGCYOG-UNXYVOJBSA-N 0 3 271.311 2.570 20 30 CFEDHN CC1(C)C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CO1 ZINC000591356893 349011680 /nfs/dbraw/zinc/01/16/80/349011680.db2.gz IPDLECOJVJLWQN-HIFRSBDPSA-N 0 3 256.349 2.703 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1nc(C(C)(C)C)ccc1C#N ZINC000591464245 349025599 /nfs/dbraw/zinc/02/55/99/349025599.db2.gz YQRAQNKGWDSDIQ-AWEZNQCLSA-N 0 3 286.423 2.781 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000591609882 349034903 /nfs/dbraw/zinc/03/49/03/349034903.db2.gz XTLUQUBUNHAYJH-CQSZACIVSA-N 0 3 277.412 2.580 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000591636205 349035629 /nfs/dbraw/zinc/03/56/29/349035629.db2.gz MMFYHXLYIQFAJK-HNNXBMFYSA-N 0 3 291.439 2.971 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3ccsc3[nH]2)CC1 ZINC000592068629 349078766 /nfs/dbraw/zinc/07/87/66/349078766.db2.gz HKRYIVCFONPUQC-UHFFFAOYSA-N 0 3 289.404 2.610 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000592069446 349078824 /nfs/dbraw/zinc/07/88/24/349078824.db2.gz MXTDAUUTPMUTKR-HZPDHXFCSA-N 0 3 290.451 2.991 20 30 CFEDHN CC(C)O[C@@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592153596 349092312 /nfs/dbraw/zinc/09/23/12/349092312.db2.gz NTJCJQHXCJSOIC-DLBZAZTESA-N 0 3 288.391 2.503 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC000592155241 349092762 /nfs/dbraw/zinc/09/27/62/349092762.db2.gz YZPLAOBZKIFBEW-KRWDZBQOSA-N 0 3 270.376 2.805 20 30 CFEDHN CCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(C)C1 ZINC000592211701 349101744 /nfs/dbraw/zinc/10/17/44/349101744.db2.gz LCBGPLFRXKSPJP-OAHLLOKOSA-N 0 3 286.379 2.506 20 30 CFEDHN CCCC[C@@](C)(CO)NCc1ccc(C#N)c(F)c1 ZINC000592374055 349111305 /nfs/dbraw/zinc/11/13/05/349111305.db2.gz AZYSRFFZKXKBJL-HNNXBMFYSA-N 0 3 264.344 2.728 20 30 CFEDHN CCC(CC)CN(CC)Cc1cnc2c(C#N)cnn2c1 ZINC000592497854 349127953 /nfs/dbraw/zinc/12/79/53/349127953.db2.gz CEZWQVBXRLLJCI-UHFFFAOYSA-N 0 3 285.395 2.859 20 30 CFEDHN N#CC[C@]1(O)CCN(CCC2CCCCCC2)C1 ZINC000592523184 349132077 /nfs/dbraw/zinc/13/20/77/349132077.db2.gz WZSLPJRWUZZGRO-HNNXBMFYSA-N 0 3 250.386 2.697 20 30 CFEDHN CC(C)(C)c1ccc(CCN2CC[C@](O)(CC#N)C2)cc1 ZINC000592523342 349133690 /nfs/dbraw/zinc/13/36/90/349133690.db2.gz YUDYLKMVCCUNID-GOSISDBHSA-N 0 3 286.419 2.877 20 30 CFEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593036225 349191717 /nfs/dbraw/zinc/19/17/17/349191717.db2.gz QVMPRQFXECZWTR-GRYCIOLGSA-N 0 3 273.336 2.943 20 30 CFEDHN N#Cc1ccc(CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000593015291 349187012 /nfs/dbraw/zinc/18/70/12/349187012.db2.gz QLCZALSOIDNYHN-CHWSQXEVSA-N 0 3 271.320 2.698 20 30 CFEDHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593016847 349188253 /nfs/dbraw/zinc/18/82/53/349188253.db2.gz XCTDMBSZUCIICL-WDEREUQCSA-N 0 3 259.309 2.697 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(Cl)c2)CCC1 ZINC000592894589 349175102 /nfs/dbraw/zinc/17/51/02/349175102.db2.gz MSTSZRRXASDBDX-SNVBAGLBSA-N 0 3 262.740 2.995 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593115410 349212161 /nfs/dbraw/zinc/21/21/61/349212161.db2.gz JCOPJFWENCMGND-CQSZACIVSA-N 0 3 278.302 2.668 20 30 CFEDHN CC[C@@H]1CO[C@@H](CC)CN1CCCC1(C#N)CCOCC1 ZINC000593060092 349198303 /nfs/dbraw/zinc/19/83/03/349198303.db2.gz XSWIBWCTMUGMIM-CVEARBPZSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@@H](CO)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000593082842 349204556 /nfs/dbraw/zinc/20/45/56/349204556.db2.gz IOMNHWFKERRUNR-KBPBESRZSA-N 0 3 272.392 2.960 20 30 CFEDHN COc1cc(OC)c(CNCCCCC#N)cc1F ZINC000593595839 349296630 /nfs/dbraw/zinc/29/66/30/349296630.db2.gz TYQNDTJPXBJVAG-UHFFFAOYSA-N 0 3 266.316 2.626 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N2CCC[C@@H]2C(=O)OCC)C1 ZINC000593617023 349299697 /nfs/dbraw/zinc/29/96/97/349299697.db2.gz JRDSJJDBMIPTKL-HZSPNIEDSA-N 0 3 251.370 2.759 20 30 CFEDHN CC[C@H](C#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000593418790 349265659 /nfs/dbraw/zinc/26/56/59/349265659.db2.gz LLDZVVDSQSDEHG-OAHLLOKOSA-N 0 3 279.428 2.507 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2ccc(C(=O)OC)o2)C1 ZINC000593627453 349301212 /nfs/dbraw/zinc/30/12/12/349301212.db2.gz DUOJIJGZAWXKHY-VXGBXAGGSA-N 0 3 263.337 2.901 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000593497436 349285240 /nfs/dbraw/zinc/28/52/40/349285240.db2.gz DATPTJUCXFJCBX-FVQBIDKESA-N 0 3 281.359 2.835 20 30 CFEDHN C=CCC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031543 349357310 /nfs/dbraw/zinc/35/73/10/349357310.db2.gz HYKVFZDHSGVIDA-MRXNPFEDSA-N 0 3 270.376 2.854 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000593828615 349330313 /nfs/dbraw/zinc/33/03/13/349330313.db2.gz NQCYTOZMIAUTGS-JSGCOSHPSA-N 0 3 274.339 2.909 20 30 CFEDHN Cc1cnn(CCNC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594031017 349357742 /nfs/dbraw/zinc/35/77/42/349357742.db2.gz DVFVBASHNUELBT-UHFFFAOYSA-N 0 3 280.375 2.732 20 30 CFEDHN CC(C)(CCN1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000593945377 349337860 /nfs/dbraw/zinc/33/78/60/349337860.db2.gz JUPZGWYBHKWBKC-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1csc(C)n1 ZINC000329809661 539733253 /nfs/dbraw/zinc/73/32/53/539733253.db2.gz QFWJLIHOVZTZLJ-ZYHUDNBSSA-N 0 3 296.440 2.500 20 30 CFEDHN N#CCCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000593992570 349347766 /nfs/dbraw/zinc/34/77/66/349347766.db2.gz CCLPZTTWIJIMSA-UHFFFAOYSA-N 0 3 277.412 2.547 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1 ZINC000594003835 349351489 /nfs/dbraw/zinc/35/14/89/349351489.db2.gz BIRSHOMSRUSDLF-GJZGRUSLSA-N 0 3 272.392 2.737 20 30 CFEDHN C[C@H](Cc1ccc(O)cc1)NCC1(C#N)CCCC1 ZINC000593654266 349305010 /nfs/dbraw/zinc/30/50/10/349305010.db2.gz ACLASOCHEWJGJJ-CYBMUJFWSA-N 0 3 258.365 2.997 20 30 CFEDHN CC[C@H](C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000593682690 349309512 /nfs/dbraw/zinc/30/95/12/349309512.db2.gz BNAGDZWRADXQAA-OAHLLOKOSA-N 0 3 291.439 2.699 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000593744836 349319130 /nfs/dbraw/zinc/31/91/30/349319130.db2.gz KRRJVYYIUVESAZ-YNEHKIRRSA-N 0 3 294.395 2.505 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@](C)(CO)C2)cc1 ZINC000668738502 539739428 /nfs/dbraw/zinc/73/94/28/539739428.db2.gz FDAPWRIXIGYBLX-PBHICJAKSA-N 0 3 275.392 2.702 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)CCCCC#N ZINC000594230391 349396861 /nfs/dbraw/zinc/39/68/61/349396861.db2.gz MMKWJKUMJKUTNI-UHFFFAOYSA-N 0 3 259.353 2.771 20 30 CFEDHN C[C@@]1(NC(=O)CCCCC#N)CCN(Cc2ccccc2)C1 ZINC000594057690 349366254 /nfs/dbraw/zinc/36/62/54/349366254.db2.gz LFWHOODBJKWLAW-GOSISDBHSA-N 0 3 299.418 2.851 20 30 CFEDHN Cc1csc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000594111063 349379888 /nfs/dbraw/zinc/37/98/88/349379888.db2.gz QHGLZJYHWWXWRK-MNOVXSKESA-N 0 3 292.408 2.532 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594440777 349422523 /nfs/dbraw/zinc/42/25/23/349422523.db2.gz ZJLGPMPDWFCCAK-HUUCEWRRSA-N 0 3 279.428 2.873 20 30 CFEDHN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594439257 349422537 /nfs/dbraw/zinc/42/25/37/349422537.db2.gz OXDWSQNCLVERJV-QLFBSQMISA-N 0 3 279.428 2.873 20 30 CFEDHN CC[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594439318 349422748 /nfs/dbraw/zinc/42/27/48/349422748.db2.gz PXAGSAHVIBLURC-CVEARBPZSA-N 0 3 287.407 2.535 20 30 CFEDHN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594439254 349422946 /nfs/dbraw/zinc/42/29/46/349422946.db2.gz OXDWSQNCLVERJV-ILXRZTDVSA-N 0 3 279.428 2.873 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594442402 349423537 /nfs/dbraw/zinc/42/35/37/349423537.db2.gz FIGIHNIYZDLUEE-ZNMIVQPWSA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H](N)CCCCC#N ZINC000594442971 349423649 /nfs/dbraw/zinc/42/36/49/349423649.db2.gz DUNGFVUQIZZUSE-OIISXLGYSA-N 0 3 299.418 2.802 20 30 CFEDHN Cc1ccc([C@H](C)CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594443420 349423704 /nfs/dbraw/zinc/42/37/04/349423704.db2.gz HFNUSQXCOLDQKH-ZBFHGGJFSA-N 0 3 287.407 2.626 20 30 CFEDHN Cc1cc(F)ccc1CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594444691 349423790 /nfs/dbraw/zinc/42/37/90/349423790.db2.gz BOZQFHLBIHCPAM-HNNXBMFYSA-N 0 3 291.370 2.504 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000594443402 349423827 /nfs/dbraw/zinc/42/38/27/349423827.db2.gz GWIRKNAAYGRAJU-IAGOWNOFSA-N 0 3 299.418 2.535 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCCCCC1CCCC1 ZINC000594446066 349424441 /nfs/dbraw/zinc/42/44/41/349424441.db2.gz PMUSMQHBISIUAC-HNNXBMFYSA-N 0 3 279.428 2.874 20 30 CFEDHN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594445257 349424578 /nfs/dbraw/zinc/42/45/78/349424578.db2.gz CDMGBOVCJLQCTO-MCIONIFRSA-N 0 3 297.468 2.530 20 30 CFEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)CCc2ccccc21 ZINC000594451712 349425349 /nfs/dbraw/zinc/42/53/49/349425349.db2.gz BTQXLEGULBBFCO-RHSMWYFYSA-N 0 3 299.418 2.586 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1F ZINC000594452750 349426252 /nfs/dbraw/zinc/42/62/52/349426252.db2.gz ITXDYXRCLUAPOV-GJZGRUSLSA-N 0 3 291.370 2.804 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000594498997 349430756 /nfs/dbraw/zinc/43/07/56/349430756.db2.gz XYUYJBUHROWKJB-GOEBONIOSA-N 0 3 270.376 2.514 20 30 CFEDHN CCC(=O)N1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594498204 349430855 /nfs/dbraw/zinc/43/08/55/349430855.db2.gz OGOLFQOSNJPKDA-MRXNPFEDSA-N 0 3 299.418 2.588 20 30 CFEDHN N#CC1(c2ccc(CN3CC([C@H]4CCOC4)C3)cc2)CC1 ZINC000597116412 350031886 /nfs/dbraw/zinc/03/18/86/350031886.db2.gz PLOCDJJIOPQYHT-HNNXBMFYSA-N 0 3 282.387 2.710 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596972008 350009644 /nfs/dbraw/zinc/00/96/44/350009644.db2.gz QEBKTBVMHVSEPJ-NVXWUHKLSA-N 0 3 299.418 2.565 20 30 CFEDHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000597080476 350025854 /nfs/dbraw/zinc/02/58/54/350025854.db2.gz NTVLDDDKVOMNOW-OWRWGESLSA-N 0 3 274.339 2.915 20 30 CFEDHN N#CC1(CC(=O)N2CC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000597086051 350028415 /nfs/dbraw/zinc/02/84/15/350028415.db2.gz MEMJIRXCBLRYLW-OAHLLOKOSA-N 0 3 289.423 2.547 20 30 CFEDHN CC1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1O ZINC000597112200 350030763 /nfs/dbraw/zinc/03/07/63/350030763.db2.gz YTKRGOJNULVBFZ-MRXNPFEDSA-N 0 3 284.403 2.835 20 30 CFEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)CC=CC1 ZINC000594382680 349412748 /nfs/dbraw/zinc/41/27/48/349412748.db2.gz KEMTVVDLCPRHKY-OAHLLOKOSA-N 0 3 268.360 2.984 20 30 CFEDHN Cc1cc(C)cc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594425021 349416802 /nfs/dbraw/zinc/41/68/02/349416802.db2.gz IYLSPGIVOFANEQ-AWEZNQCLSA-N 0 3 259.353 2.653 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000594424356 349417242 /nfs/dbraw/zinc/41/72/42/349417242.db2.gz BLVUDOHERMTWCX-HZPDHXFCSA-N 0 3 285.391 2.591 20 30 CFEDHN CSc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594426323 349417970 /nfs/dbraw/zinc/41/79/70/349417970.db2.gz OJAYWXBVPXTVQW-LLVKDONJSA-N 0 3 277.393 2.758 20 30 CFEDHN CCCCCN(C(=O)[C@H](N)CCCCC#N)C(C)C ZINC000594426208 349418008 /nfs/dbraw/zinc/41/80/08/349418008.db2.gz DHNWVBUACQIMMY-CQSZACIVSA-N 0 3 267.417 2.825 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000594427780 349418559 /nfs/dbraw/zinc/41/85/59/349418559.db2.gz JFGVQDKISWRQQF-IRXDYDNUSA-N 0 3 299.418 2.631 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N(CC1CCCCC1)C1CC1 ZINC000594428454 349418632 /nfs/dbraw/zinc/41/86/32/349418632.db2.gz LSQHEVNVGCUNLS-INIZCTEOSA-N 0 3 291.439 2.969 20 30 CFEDHN C[C@@H](c1cccs1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594428459 349418745 /nfs/dbraw/zinc/41/87/45/349418745.db2.gz METLRVGFPHRFJB-NWDGAFQWSA-N 0 3 279.409 2.679 20 30 CFEDHN CSc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594427921 349418788 /nfs/dbraw/zinc/41/87/88/349418788.db2.gz XVIJKYOSHYXKOH-CYBMUJFWSA-N 0 3 277.393 2.758 20 30 CFEDHN CC(C)CN(CC(C)C)C(=O)[C@@H](N)CCCCC#N ZINC000594427378 349418854 /nfs/dbraw/zinc/41/88/54/349418854.db2.gz UAQRJFUXWAOWML-AWEZNQCLSA-N 0 3 267.417 2.538 20 30 CFEDHN Cc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594428830 349419345 /nfs/dbraw/zinc/41/93/45/349419345.db2.gz OYTTXCXURHDFGQ-ZBFHGGJFSA-N 0 3 287.407 2.926 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000594428611 349419729 /nfs/dbraw/zinc/41/97/29/349419729.db2.gz NCARGMVVXPGCOL-CQSZACIVSA-N 0 3 291.420 2.650 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000594429917 349420141 /nfs/dbraw/zinc/42/01/41/349420141.db2.gz SWNDBTIHMVWYHA-ZDUSSCGKSA-N 0 3 297.761 2.507 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2ncsc2c1 ZINC000594429824 349420188 /nfs/dbraw/zinc/42/01/88/349420188.db2.gz WSOPXPSXEZKAJR-LLVKDONJSA-N 0 3 288.376 2.646 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594433379 349420712 /nfs/dbraw/zinc/42/07/12/349420712.db2.gz OSSAAQSQFWNJHE-RRFJBIMHSA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCNC(=O)[C@H](N)CCCCC#N)C1 ZINC000594433587 349420983 /nfs/dbraw/zinc/42/09/83/349420983.db2.gz HMKAVXMBHHYUCI-QLFBSQMISA-N 0 3 279.428 2.730 20 30 CFEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594432535 349421005 /nfs/dbraw/zinc/42/10/05/349421005.db2.gz CLWUPWSISCQPEL-OIISXLGYSA-N 0 3 299.418 2.802 20 30 CFEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H](N)CCCCC#N ZINC000594434587 349421335 /nfs/dbraw/zinc/42/13/35/349421335.db2.gz PULBSJCRVXFBLC-CBBWQLFWSA-N 0 3 277.412 2.577 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@H]1CCCc2sccc21 ZINC000594435741 349421379 /nfs/dbraw/zinc/42/13/79/349421379.db2.gz JOHVQLFGVCLLQT-STQMWFEESA-N 0 3 291.420 2.653 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000597172739 350043408 /nfs/dbraw/zinc/04/34/08/350043408.db2.gz DQQMHWLCPSMKDN-CYBMUJFWSA-N 0 3 256.349 2.747 20 30 CFEDHN C=CCCSCCNCc1cc(C(=O)OC)oc1C ZINC000597184313 350047362 /nfs/dbraw/zinc/04/73/62/350047362.db2.gz JLDDBCFQJJFCHE-UHFFFAOYSA-N 0 3 283.393 2.774 20 30 CFEDHN CCCCN(C)CCNC(=O)CC1(C#N)CCCCC1 ZINC000597216174 350059246 /nfs/dbraw/zinc/05/92/46/350059246.db2.gz SNWDWDRFFGBZNO-UHFFFAOYSA-N 0 3 279.428 2.699 20 30 CFEDHN C[C@@H](CC#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000597229780 350063945 /nfs/dbraw/zinc/06/39/45/350063945.db2.gz BELFLKKAVHUGLY-HNNXBMFYSA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCCC(C)(C)NCc1cc(C(=O)OC)co1 ZINC000597244865 350070892 /nfs/dbraw/zinc/07/08/92/350070892.db2.gz VUEZNYCPEHUPQN-UHFFFAOYSA-N 0 3 251.326 2.901 20 30 CFEDHN CCN(C(=O)[C@H](C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597505018 350106090 /nfs/dbraw/zinc/10/60/90/350106090.db2.gz KISKIQKNOPOYJW-NVXWUHKLSA-N 0 3 299.418 2.659 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000597520207 350107843 /nfs/dbraw/zinc/10/78/43/350107843.db2.gz ISTVATFVZKCTCX-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](CC#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000597724424 350128861 /nfs/dbraw/zinc/12/88/61/350128861.db2.gz HKPGBYJETYMCMM-HNNXBMFYSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000090883464 180052836 /nfs/dbraw/zinc/05/28/36/180052836.db2.gz NRHWEGPTYSVCGW-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000090884017 180053189 /nfs/dbraw/zinc/05/31/89/180053189.db2.gz BOXVHWIOFJEPCL-CYBMUJFWSA-N 0 3 288.395 2.589 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597910160 350155464 /nfs/dbraw/zinc/15/54/64/350155464.db2.gz WLFJZILQDLUQIO-CQSZACIVSA-N 0 3 285.391 2.514 20 30 CFEDHN N#Cc1cccc(OC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000104716054 186018044 /nfs/dbraw/zinc/01/80/44/186018044.db2.gz LFGLVLSKVHKIGU-QGZVFWFLSA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1cccc(OC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000104716051 186018440 /nfs/dbraw/zinc/01/84/40/186018440.db2.gz LFGLVLSKVHKIGU-KRWDZBQOSA-N 0 3 286.375 2.580 20 30 CFEDHN CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCN(C)C1 ZINC000597946937 350160424 /nfs/dbraw/zinc/16/04/24/350160424.db2.gz SSPROGUYFXRQFN-IRXDYDNUSA-N 0 3 299.418 2.627 20 30 CFEDHN C[C@H]1CC[C@H](C)N1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597951040 350161162 /nfs/dbraw/zinc/16/11/62/350161162.db2.gz VHHZGASBNZSOQS-KBPBESRZSA-N 0 3 299.418 2.782 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000132129598 539774397 /nfs/dbraw/zinc/77/43/97/539774397.db2.gz PQINEHCSBSOKLO-SJLPKXTDSA-N 0 3 298.430 2.947 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000598253815 350225399 /nfs/dbraw/zinc/22/53/99/350225399.db2.gz NQXUQSTUQHTDHP-GYSYKLTISA-N 0 3 292.766 2.788 20 30 CFEDHN C[C@@H](C(=O)NCC1(C#N)CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000598308170 350231445 /nfs/dbraw/zinc/23/14/45/350231445.db2.gz DQEKVYCDBQSPBD-ZNMIVQPWSA-N 0 3 291.439 2.838 20 30 CFEDHN CCCN1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000598344093 350241044 /nfs/dbraw/zinc/24/10/44/350241044.db2.gz ZUCVKBMBZQPONW-IRXDYDNUSA-N 0 3 299.418 2.674 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000598586612 350285839 /nfs/dbraw/zinc/28/58/39/350285839.db2.gz JAGNPIXWBCIQGV-QGZVFWFLSA-N 0 3 297.402 2.823 20 30 CFEDHN CC(C#N)C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC000598577894 350284928 /nfs/dbraw/zinc/28/49/28/350284928.db2.gz NDCABVJRPINRCU-LRDDRELGSA-N 0 3 256.349 2.630 20 30 CFEDHN N#CCCCCNCc1ccnn1CCc1ccccc1 ZINC000598631373 350297247 /nfs/dbraw/zinc/29/72/47/350297247.db2.gz QJQCDNUMRKLIMT-UHFFFAOYSA-N 0 3 282.391 2.909 20 30 CFEDHN C=CCSCCN[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000598677944 350308112 /nfs/dbraw/zinc/30/81/12/350308112.db2.gz LPZURHFEZMOJJL-HNNXBMFYSA-N 0 3 290.432 2.993 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCOc2ccccc21 ZINC000598719842 350317217 /nfs/dbraw/zinc/31/72/17/350317217.db2.gz JXXFPBYPDOIQBD-DZGCQCFKSA-N 0 3 288.391 2.791 20 30 CFEDHN CCC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccn1 ZINC000598721786 350318561 /nfs/dbraw/zinc/31/85/61/350318561.db2.gz ZPZKLILHWJCOEK-UONOGXRCSA-N 0 3 275.396 2.813 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCc2ccc(F)cc21 ZINC000598721934 350318947 /nfs/dbraw/zinc/31/89/47/350318947.db2.gz YCJOAQAZQLYILR-DZGCQCFKSA-N 0 3 276.355 2.703 20 30 CFEDHN CN(Cc1cccc(F)c1)C[C@H](O)CC(C)(C)C#N ZINC000598588190 350287087 /nfs/dbraw/zinc/28/70/87/350287087.db2.gz ZYQMCRGQLXNOKM-CQSZACIVSA-N 0 3 264.344 2.558 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCOC2(C1)CCCCCC2 ZINC000598593888 350289108 /nfs/dbraw/zinc/28/91/08/350289108.db2.gz XXAMNJJIBJCYHT-OAHLLOKOSA-N 0 3 294.439 2.712 20 30 CFEDHN CC[C@@](C)(NC[C@@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598596830 350289931 /nfs/dbraw/zinc/28/99/31/350289931.db2.gz APVPZUZIOUDODN-SWLSCSKDSA-N 0 3 295.452 2.967 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccncc1 ZINC000598598142 350290144 /nfs/dbraw/zinc/29/01/44/350290144.db2.gz ATIKVFQXPGIBAG-HUUCEWRRSA-N 0 3 273.380 2.519 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccccn2)CC1 ZINC000598597451 350290313 /nfs/dbraw/zinc/29/03/13/350290313.db2.gz RGOQYCSXYKSUKA-OAHLLOKOSA-N 0 3 287.407 2.562 20 30 CFEDHN Cc1csc([C@@H](NC[C@@H](O)CC(C)(C)C#N)C2CC2)n1 ZINC000598601405 350290895 /nfs/dbraw/zinc/29/08/95/350290895.db2.gz KISQJHJIMBXJKZ-STQMWFEESA-N 0 3 293.436 2.793 20 30 CFEDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598604382 350292109 /nfs/dbraw/zinc/29/21/09/350292109.db2.gz MIZHNENYPBHXRF-FVQBIDKESA-N 0 3 287.407 2.765 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000598602210 350292195 /nfs/dbraw/zinc/29/21/95/350292195.db2.gz RKDNZEUZTQPZME-VXGBXAGGSA-N 0 3 291.351 2.546 20 30 CFEDHN CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598611153 350292443 /nfs/dbraw/zinc/29/24/43/350292443.db2.gz GGTLGNDBUUSVSH-NEPJUHHUSA-N 0 3 281.425 2.793 20 30 CFEDHN Cc1cnc([C@H](NC[C@@H](O)CC(C)(C)C#N)C2CC2)s1 ZINC000598613941 350293327 /nfs/dbraw/zinc/29/33/27/350293327.db2.gz ZXATWTDLGWOAFB-QWHCGFSZSA-N 0 3 293.436 2.793 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598974745 350352555 /nfs/dbraw/zinc/35/25/55/350352555.db2.gz HDTRCNKFZAVERO-NSHDSACASA-N 0 3 297.420 2.730 20 30 CFEDHN CCC[C@@H](CNCc1ccc(C#N)cc1F)OCC ZINC000598989934 350354998 /nfs/dbraw/zinc/35/49/98/350354998.db2.gz WNAYJUJDGHDFAW-AWEZNQCLSA-N 0 3 264.344 2.992 20 30 CFEDHN CC(C)CC[C@H](CO)NCc1ccc(C#N)s1 ZINC000598991655 350355540 /nfs/dbraw/zinc/35/55/40/350355540.db2.gz QLPXKQCNECKGMQ-LLVKDONJSA-N 0 3 252.383 2.506 20 30 CFEDHN C[C@H](CC#N)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000598807850 350331946 /nfs/dbraw/zinc/33/19/46/350331946.db2.gz NNDBEUIIKRRKBS-UKRRQHHQSA-N 0 3 283.375 2.547 20 30 CFEDHN C[C@@H](NCCN(C)CC(F)F)c1ccc(C#N)c(F)c1 ZINC000599095413 350374984 /nfs/dbraw/zinc/37/49/84/350374984.db2.gz UAMYPCAKLFVDGZ-SNVBAGLBSA-N 0 3 285.313 2.545 20 30 CFEDHN CO[C@H]1C[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000599093430 350375004 /nfs/dbraw/zinc/37/50/04/350375004.db2.gz YORDUTLELGWBMN-RTXFEEFZSA-N 0 3 262.328 2.773 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)o1 ZINC000092066739 180316720 /nfs/dbraw/zinc/31/67/20/180316720.db2.gz VFNIGWLJUIRBTB-DYVFJYSZSA-N 0 3 285.391 2.600 20 30 CFEDHN Cc1ccc(CN(C)C[C@@H]2CCCCO2)cc1C#N ZINC000599270396 350402601 /nfs/dbraw/zinc/40/26/01/350402601.db2.gz INHRMKSPDXDZFK-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599433903 350436756 /nfs/dbraw/zinc/43/67/56/350436756.db2.gz MHICUEQTFWVZDV-CJNGLKHVSA-N 0 3 258.365 2.724 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599293141 350407924 /nfs/dbraw/zinc/40/79/24/350407924.db2.gz OMFGLVZVMBFHSX-HNNXBMFYSA-N 0 3 258.365 2.725 20 30 CFEDHN CCO[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599295719 350408255 /nfs/dbraw/zinc/40/82/55/350408255.db2.gz CULGCHQBZZUFIB-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1nc(C)cs1 ZINC000599360236 350423700 /nfs/dbraw/zinc/42/37/00/350423700.db2.gz UWUDLNZDORJJQR-RYUDHWBXSA-N 0 3 279.409 2.547 20 30 CFEDHN N#CCCOCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000599506043 350447068 /nfs/dbraw/zinc/44/70/68/350447068.db2.gz WYYYJIOFMBFKTO-UHFFFAOYSA-N 0 3 292.354 2.599 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599516185 350449143 /nfs/dbraw/zinc/44/91/43/350449143.db2.gz XJBRQCMAOWFTTJ-TUAOUCFPSA-N 0 3 274.355 2.510 20 30 CFEDHN C=CC[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599526156 350450189 /nfs/dbraw/zinc/45/01/89/350450189.db2.gz GHDQOZRSIBYPHF-ZDUSSCGKSA-N 0 3 276.336 2.872 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000599526527 350450642 /nfs/dbraw/zinc/45/06/42/350450642.db2.gz OEZIMRBHZNTZSQ-HNNXBMFYSA-N 0 3 289.423 2.569 20 30 CFEDHN C[C@H]1CN(CCCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583216 350459637 /nfs/dbraw/zinc/45/96/37/350459637.db2.gz QNDWNAOQAZXHRS-QWHCGFSZSA-N 0 3 266.385 2.590 20 30 CFEDHN CC#CCCN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599590844 350461342 /nfs/dbraw/zinc/46/13/42/350461342.db2.gz RNQUVRZLUHTBQI-KGLIPLIRSA-N 0 3 265.397 2.700 20 30 CFEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599451347 350439997 /nfs/dbraw/zinc/43/99/97/350439997.db2.gz WUPLSZRBQBTSKZ-DOMZBBRYSA-N 0 3 276.355 2.921 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2[C@@H](C)CO)cc1C#N ZINC000599465296 350441668 /nfs/dbraw/zinc/44/16/68/350441668.db2.gz FGCLDVLIZIMRSP-WMLDXEAASA-N 0 3 272.392 2.850 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1ccc(OC)c(C#N)c1 ZINC000599673670 350478258 /nfs/dbraw/zinc/47/82/58/350478258.db2.gz UAGQJSMHSBCOHU-UHFFFAOYSA-N 0 3 276.380 2.550 20 30 CFEDHN C[C@H]1CC[C@@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000599679431 350481142 /nfs/dbraw/zinc/48/11/42/350481142.db2.gz ZYNBOINWFIPNCQ-BBRMVZONSA-N 0 3 270.376 2.678 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000600099368 350508686 /nfs/dbraw/zinc/50/86/86/350508686.db2.gz NHKWKDUMGZELDJ-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CCc1ccccc1)C(F)F ZINC000600314125 350548859 /nfs/dbraw/zinc/54/88/59/350548859.db2.gz STUGLAGOEOPHLW-CMPLNLGQSA-N 0 3 266.291 2.529 20 30 CFEDHN CCOc1cc(C)ccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600730669 350602688 /nfs/dbraw/zinc/60/26/88/350602688.db2.gz MTKFNQKFYOLAEM-HNNXBMFYSA-N 0 3 288.391 2.538 20 30 CFEDHN CSc1cccc(F)c1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600741498 350605046 /nfs/dbraw/zinc/60/50/46/350605046.db2.gz OKOYXMRMVVGHFL-NSHDSACASA-N 0 3 294.395 2.692 20 30 CFEDHN C[C@@H]1C[C@@H](NC[C@@H](O)CC2(C#N)CC2)c2ccccc2O1 ZINC000600740363 350605058 /nfs/dbraw/zinc/60/50/58/350605058.db2.gz UQPGLNXZVLSPQY-VNHYZAJKSA-N 0 3 286.375 2.543 20 30 CFEDHN N#Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1Cl ZINC000600775365 350609324 /nfs/dbraw/zinc/60/93/24/350609324.db2.gz HYZCJQSCDMKPAA-UHFFFAOYSA-N 0 3 298.777 2.683 20 30 CFEDHN C[C@@H](CNC(=O)c1ccccc1CC#N)N1CCC[C@H](C)C1 ZINC000600998275 350643191 /nfs/dbraw/zinc/64/31/91/350643191.db2.gz UICYGVRXOOHENG-GJZGRUSLSA-N 0 3 299.418 2.603 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000600994758 350643488 /nfs/dbraw/zinc/64/34/88/350643488.db2.gz PZHDAJLUXZUJBX-UHFFFAOYSA-N 0 3 283.375 2.771 20 30 CFEDHN C[C@@H](CNC(=O)c1ccccc1CC#N)N1CCCC[C@@H]1C ZINC000600997315 350643602 /nfs/dbraw/zinc/64/36/02/350643602.db2.gz WKKSPHRXVGCJIV-GJZGRUSLSA-N 0 3 299.418 2.745 20 30 CFEDHN COCCN1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000110284945 186289630 /nfs/dbraw/zinc/28/96/30/186289630.db2.gz BIRUGCBDXXYTHR-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ncc(C#N)c3ccsc32)CN1C1CC1 ZINC000601127870 350675931 /nfs/dbraw/zinc/67/59/31/350675931.db2.gz TUDQWUVCLSLOAP-PWSUYJOCSA-N 0 3 298.415 2.627 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(=O)[nH]c1 ZINC000601127808 350676111 /nfs/dbraw/zinc/67/61/11/350676111.db2.gz QSDVUUVTSDLADT-INIZCTEOSA-N 0 3 279.343 2.826 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1c1ncc(Cl)c(C)c1C#N ZINC000601189063 350692213 /nfs/dbraw/zinc/69/22/13/350692213.db2.gz ORVPHYPKSMUTQS-GFCCVEGCSA-N 0 3 292.814 2.836 20 30 CFEDHN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000601298220 350719443 /nfs/dbraw/zinc/71/94/43/350719443.db2.gz FITBQIMZCJJUMN-CZFOOCMKSA-N 0 3 262.328 2.914 20 30 CFEDHN CC(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000601301141 350720049 /nfs/dbraw/zinc/72/00/49/350720049.db2.gz RZRNRMIVKLFNIU-RHYQMDGZSA-N 0 3 278.318 2.606 20 30 CFEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H](O)C(F)(F)F ZINC000601301112 350720058 /nfs/dbraw/zinc/72/00/58/350720058.db2.gz RDWKGJAIAFVZGX-HERUPUMHSA-N 0 3 298.308 2.837 20 30 CFEDHN Cc1ccc(CN2CC[C@H](NC[C@H](C#N)CCC#N)C2)cc1 ZINC000601966506 350820991 /nfs/dbraw/zinc/82/09/91/350820991.db2.gz BPQUFKJKKRFRJQ-ROUUACIJSA-N 0 3 296.418 2.602 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC1([C@H]2CCCCO2)CCC1 ZINC000601938950 350810076 /nfs/dbraw/zinc/81/00/76/350810076.db2.gz HSECGXGSOKWURQ-LSDHHAIUSA-N 0 3 275.396 2.759 20 30 CFEDHN CCC[C@@H](CCO)CNCc1cccc(F)c1C#N ZINC000602011712 350830607 /nfs/dbraw/zinc/83/06/07/350830607.db2.gz PUIPZMAPEFUNCX-LBPRGKRZSA-N 0 3 264.344 2.586 20 30 CFEDHN COC(C)(C)C[C@H](C)NCc1cccc(F)c1C#N ZINC000602010751 350830622 /nfs/dbraw/zinc/83/06/22/350830622.db2.gz JSAMXSARUNIKRS-NSHDSACASA-N 0 3 264.344 2.991 20 30 CFEDHN COCCC1(CNCc2cccc(F)c2C#N)CC1 ZINC000602011880 350830733 /nfs/dbraw/zinc/83/07/33/350830733.db2.gz NVGDHLGNNIMPOQ-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CCCCO1 ZINC000602016435 350832142 /nfs/dbraw/zinc/83/21/42/350832142.db2.gz WJJPQGISLNGZOJ-ZDUSSCGKSA-N 0 3 262.328 2.746 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000602014840 350832434 /nfs/dbraw/zinc/83/24/34/350832434.db2.gz HUGDHUKLIRCTDK-PTEHBNRSSA-N 0 3 262.328 2.743 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCCSC1 ZINC000602017443 350833144 /nfs/dbraw/zinc/83/31/44/350833144.db2.gz QOBKGJWNJZWBRA-NSHDSACASA-N 0 3 264.369 2.930 20 30 CFEDHN COCC1(CNCc2cccc(F)c2C#N)CCCC1 ZINC000602022136 350834141 /nfs/dbraw/zinc/83/41/41/350834141.db2.gz XFHYGZQTNAHTBG-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN CC[C@H]1CN(C[C@@H](C)CCC#N)CCN1CC(F)F ZINC000602479122 350899756 /nfs/dbraw/zinc/89/97/56/350899756.db2.gz FNICSJFRHADQLA-STQMWFEESA-N 0 3 273.371 2.588 20 30 CFEDHN C[C@H](CCC#N)CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000602479329 350899788 /nfs/dbraw/zinc/89/97/88/350899788.db2.gz ILJCCYUUMKTTLT-ZYHUDNBSSA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1ccccc1CCNCc1cccc(C#N)n1 ZINC000602504240 350908209 /nfs/dbraw/zinc/90/82/09/350908209.db2.gz OAUAYYNUHUEZHD-UHFFFAOYSA-N 0 3 251.333 2.594 20 30 CFEDHN COc1ccc(C)cc1CCNCc1cccc(C#N)n1 ZINC000602509020 350909456 /nfs/dbraw/zinc/90/94/56/350909456.db2.gz AMIVUTHOSPHFAK-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN CCC(C#N)(CC)C(=O)Nc1cc(C)cc(CN)c1 ZINC000602514241 350911612 /nfs/dbraw/zinc/91/16/12/350911612.db2.gz IMNMBKIZOGWQQT-UHFFFAOYSA-N 0 3 259.353 2.722 20 30 CFEDHN CCCOc1ncccc1CNC[C@@H](C)CCC#N ZINC000602525620 350913801 /nfs/dbraw/zinc/91/38/01/350913801.db2.gz BCSWIRSASIITJQ-ZDUSSCGKSA-N 0 3 261.369 2.900 20 30 CFEDHN CC[C@@H](NC[C@@H](C)CCC#N)c1nnc2n1CCCCC2 ZINC000602527153 350914702 /nfs/dbraw/zinc/91/47/02/350914702.db2.gz LRDPOPSUJVCWQA-UONOGXRCSA-N 0 3 289.427 2.985 20 30 CFEDHN CC(C)Cc1ccccc1CNC(=O)[C@H](N)CCCC#N ZINC000602531382 350915762 /nfs/dbraw/zinc/91/57/62/350915762.db2.gz HVEFIQZTLULIMJ-MRXNPFEDSA-N 0 3 287.407 2.522 20 30 CFEDHN CC[C@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000602534232 350917160 /nfs/dbraw/zinc/91/71/60/350917160.db2.gz HSVKWHQZFHUEMG-CVEARBPZSA-N 0 3 287.407 2.535 20 30 CFEDHN COc1cc(CNCCCCC#N)c(Cl)cc1O ZINC000602540618 350918331 /nfs/dbraw/zinc/91/83/31/350918331.db2.gz LOFVZULDEPWTLU-UHFFFAOYSA-N 0 3 268.744 2.838 20 30 CFEDHN Cc1cccc(O[C@@H](C)CNCc2cccc(C#N)n2)c1 ZINC000602548143 350920080 /nfs/dbraw/zinc/92/00/80/350920080.db2.gz QFJGOFYHQNQCHZ-AWEZNQCLSA-N 0 3 281.359 2.819 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCCC(F)(F)F ZINC000602558965 350924079 /nfs/dbraw/zinc/92/40/79/350924079.db2.gz ABFQAOBREBAIQP-JTQLQIEISA-N 0 3 264.291 2.627 20 30 CFEDHN N#Cc1cccc(CNC2CCN(c3cccs3)CC2)n1 ZINC000602572243 350929084 /nfs/dbraw/zinc/92/90/84/350929084.db2.gz DFJVRLIADOWRMZ-UHFFFAOYSA-N 0 3 298.415 2.773 20 30 CFEDHN C/C=C/C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000602577157 350930887 /nfs/dbraw/zinc/93/08/87/350930887.db2.gz TXQNYNTURPTUGQ-ZHAXYTGKSA-N 0 3 277.412 2.602 20 30 CFEDHN C/C=C/C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000602577155 350930933 /nfs/dbraw/zinc/93/09/33/350930933.db2.gz TXQNYNTURPTUGQ-SWVJOTTGSA-N 0 3 277.412 2.602 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N(CC1CC1)c1cccc(F)c1 ZINC000602578595 350931987 /nfs/dbraw/zinc/93/19/87/350931987.db2.gz OGXQRFLVQTXHMA-OAHLLOKOSA-N 0 3 289.354 2.590 20 30 CFEDHN CC(C)(C)[C@H]1C[C@H](NCc2cccc(C#N)n2)CCO1 ZINC000602580108 350932479 /nfs/dbraw/zinc/93/24/79/350932479.db2.gz NBAKSLBZACYOQU-IUODEOHRSA-N 0 3 273.380 2.637 20 30 CFEDHN Cc1cccc2[nH]c(CNC[C@@H](C)CCC#N)nc21 ZINC000602581971 350933342 /nfs/dbraw/zinc/93/33/42/350933342.db2.gz UYYIHUDYAQXHNB-NSHDSACASA-N 0 3 256.353 2.901 20 30 CFEDHN CCC[C@H](CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602581110 350933401 /nfs/dbraw/zinc/93/34/01/350933401.db2.gz HHQUMQWOYMXPRP-OAHLLOKOSA-N 0 3 258.365 2.952 20 30 CFEDHN Cc1cncc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602580942 350933576 /nfs/dbraw/zinc/93/35/76/350933576.db2.gz QMDOOHUVKCPJSW-AWEZNQCLSA-N 0 3 273.380 2.579 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000602581389 350933898 /nfs/dbraw/zinc/93/38/98/350933898.db2.gz JIDODYZUIXCMAN-AWEZNQCLSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(CCc2ccccc2)CC1 ZINC000602429507 350879266 /nfs/dbraw/zinc/87/92/66/350879266.db2.gz DSJAJBJDZHZCFP-QGZVFWFLSA-N 0 3 285.435 2.787 20 30 CFEDHN COC(=O)c1cc(CN(C)C[C@H](C)CCC#N)oc1C ZINC000602432123 350880401 /nfs/dbraw/zinc/88/04/01/350880401.db2.gz VSPRVUJGOGLFNO-LLVKDONJSA-N 0 3 278.352 2.746 20 30 CFEDHN C[C@H](CCC#N)CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000602446241 350886272 /nfs/dbraw/zinc/88/62/72/350886272.db2.gz ZMZIFCDWCJKRTB-VXGBXAGGSA-N 0 3 278.318 2.970 20 30 CFEDHN CN(Cc1cccc(C#N)n1)C1Cc2ccccc2C1 ZINC000602447061 350886563 /nfs/dbraw/zinc/88/65/63/350886563.db2.gz ABFALVDNECDKGS-UHFFFAOYSA-N 0 3 263.344 2.552 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2cccc(C#N)n2)C1 ZINC000602593621 350938829 /nfs/dbraw/zinc/93/88/29/350938829.db2.gz LSTPTAAVMRCGAN-CXAGYDPISA-N 0 3 287.407 2.620 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602469970 350893443 /nfs/dbraw/zinc/89/34/43/350893443.db2.gz BONIPRJDSHOMAV-LSDHHAIUSA-N 0 3 273.380 2.589 20 30 CFEDHN Cc1nc(N2CCN(C[C@@H](C)CCC#N)CC2)sc1C ZINC000602473683 350895703 /nfs/dbraw/zinc/89/57/03/350895703.db2.gz CPGZNBNCDWEKEN-LBPRGKRZSA-N 0 3 292.452 2.822 20 30 CFEDHN C=CC[C@H](CC)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602647117 350961092 /nfs/dbraw/zinc/96/10/92/350961092.db2.gz GNQMSIZZXVYDPY-LBPRGKRZSA-N 0 3 293.411 2.820 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000602668881 350968806 /nfs/dbraw/zinc/96/88/06/350968806.db2.gz VFSRPQZWUILHLG-GJZGRUSLSA-N 0 3 285.391 2.592 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000602679806 350974404 /nfs/dbraw/zinc/97/44/04/350974404.db2.gz SCBOQHPVUUSLEM-OIISXLGYSA-N 0 3 290.382 2.726 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000602679321 350975026 /nfs/dbraw/zinc/97/50/26/350975026.db2.gz CZKNRJZPBCPIDT-QLFBSQMISA-N 0 3 299.418 2.882 20 30 CFEDHN COc1cccc2c1CN(C[C@@H](C)CCC#N)CC2 ZINC000602683681 350976464 /nfs/dbraw/zinc/97/64/64/350976464.db2.gz RHLDWYQVGFXSQI-ZDUSSCGKSA-N 0 3 258.365 2.993 20 30 CFEDHN CC[C@@](C)(CN1CCc2c(CC#N)cccc2C1)OC ZINC000602730016 351002928 /nfs/dbraw/zinc/00/29/28/351002928.db2.gz MSLFFMZTZMCPGW-KRWDZBQOSA-N 0 3 272.392 2.926 20 30 CFEDHN COCC[C@@H](NC[C@@H](C)CCC#N)c1ccco1 ZINC000602601797 350941902 /nfs/dbraw/zinc/94/19/02/350941902.db2.gz BDPAGXRQYLMWJF-QWHCGFSZSA-N 0 3 250.342 2.887 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000602612733 350946264 /nfs/dbraw/zinc/94/62/64/350946264.db2.gz QBKOWNQXRAXCTH-GJZGRUSLSA-N 0 3 257.381 2.795 20 30 CFEDHN Cc1csc([C@H](C)CNCc2cccc(C#N)n2)n1 ZINC000602616341 350947194 /nfs/dbraw/zinc/94/71/94/350947194.db2.gz VGLVKEHXPATJBR-SNVBAGLBSA-N 0 3 272.377 2.612 20 30 CFEDHN N#Cc1cccc(CNC2CC(OCc3ccccc3)C2)n1 ZINC000602618383 350948290 /nfs/dbraw/zinc/94/82/90/350948290.db2.gz RMVJPEYISXVRFK-UHFFFAOYSA-N 0 3 293.370 2.791 20 30 CFEDHN COc1ccc(F)cc1CNC[C@@H](C)CCC#N ZINC000602623780 350950515 /nfs/dbraw/zinc/95/05/15/350950515.db2.gz QHMNEXINQHRUMP-NSHDSACASA-N 0 3 250.317 2.864 20 30 CFEDHN C=CCNCc1ccc(I)s1 ZINC000602625957 350951960 /nfs/dbraw/zinc/95/19/60/350951960.db2.gz HIWQHHLNXLCGHD-UHFFFAOYSA-N 0 3 279.146 2.628 20 30 CFEDHN CO[C@@]1(C(F)(F)F)CCCN(C[C@@H](C)CCC#N)C1 ZINC000602629621 350952709 /nfs/dbraw/zinc/95/27/09/350952709.db2.gz PHLOVBKLIHWRBB-RYUDHWBXSA-N 0 3 278.318 2.970 20 30 CFEDHN CO[C@@H](CN[C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000602639566 350957199 /nfs/dbraw/zinc/95/71/99/350957199.db2.gz KKEQWALFHCURBE-CVEARBPZSA-N 0 3 256.349 2.560 20 30 CFEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC2(CC#N)CC2)C1 ZINC000602767286 351018463 /nfs/dbraw/zinc/01/84/63/351018463.db2.gz CXSFLVUWNCVBNA-HUUCEWRRSA-N 0 3 291.439 2.697 20 30 CFEDHN N#CCC1(CN[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000602917973 351065322 /nfs/dbraw/zinc/06/53/22/351065322.db2.gz LMNQTQSJEQQGBQ-CABCVRRESA-N 0 3 256.349 2.800 20 30 CFEDHN CCCN(C[C@@H]1CCCCO1)CC1(CC#N)CC1 ZINC000602791013 351027235 /nfs/dbraw/zinc/02/72/35/351027235.db2.gz BODNEHHETYUBDH-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN CCOC(=O)CC[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602798701 351029390 /nfs/dbraw/zinc/02/93/90/351029390.db2.gz FQWXDEBWIXKMTH-AWEZNQCLSA-N 0 3 278.396 2.736 20 30 CFEDHN C=CC[C@H]1N(Cc2cn(C)nc2[N+](=O)[O-])CCCC1(C)C ZINC000602817526 351036100 /nfs/dbraw/zinc/03/61/00/351036100.db2.gz ISOMSFXPHYYUBR-CYBMUJFWSA-N 0 3 292.383 2.895 20 30 CFEDHN CN1CCN(CC2(CC#N)CC2)CC12CCCCC2 ZINC000602837380 351040763 /nfs/dbraw/zinc/04/07/63/351040763.db2.gz VXTRXNALYZGMFI-UHFFFAOYSA-N 0 3 261.413 2.631 20 30 CFEDHN N#CCC1(CN2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000602838039 351041094 /nfs/dbraw/zinc/04/10/94/351041094.db2.gz DVSAOTUKQUYSMB-CQSZACIVSA-N 0 3 255.365 2.955 20 30 CFEDHN COC(=O)[C@@H]1CN(CC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000602842865 351042687 /nfs/dbraw/zinc/04/26/87/351042687.db2.gz QZKNNJLUOAJAPJ-HZPDHXFCSA-N 0 3 298.386 2.569 20 30 CFEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CC2(CC#N)CC2)C1 ZINC000602847125 351044342 /nfs/dbraw/zinc/04/43/42/351044342.db2.gz SDXYKFUFLLSGIA-ZIAGYGMSSA-N 0 3 292.423 2.980 20 30 CFEDHN C[C@H](c1ccccc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855493 351046986 /nfs/dbraw/zinc/04/69/86/351046986.db2.gz HHIAYSKIAURHEO-SOUVJXGZSA-N 0 3 257.381 2.666 20 30 CFEDHN CN1CCN(CC2(CC#N)CC2)[C@@H](Cc2ccccc2)C1 ZINC000602867182 351051985 /nfs/dbraw/zinc/05/19/85/351051985.db2.gz QUBNPGSRUACRKW-KRWDZBQOSA-N 0 3 283.419 2.539 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnn2)CC1 ZINC000602890973 351059444 /nfs/dbraw/zinc/05/94/44/351059444.db2.gz FIUBLRFNAKFRIR-RHSMWYFYSA-N 0 3 295.390 2.938 20 30 CFEDHN N#CCCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602901951 351061575 /nfs/dbraw/zinc/06/15/75/351061575.db2.gz SJCGWDWFLKYWAC-UHFFFAOYSA-N 0 3 268.364 2.738 20 30 CFEDHN N#CCC1(CN2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602904970 351062376 /nfs/dbraw/zinc/06/23/76/351062376.db2.gz BVQVQXCDGDEFAS-UHFFFAOYSA-N 0 3 280.375 2.827 20 30 CFEDHN N#Cc1ccc(C2CCN(C[C@@H]3CCCCO3)CC2)nc1 ZINC000602909700 351063483 /nfs/dbraw/zinc/06/34/83/351063483.db2.gz LOZAZOJDMLWBHX-INIZCTEOSA-N 0 3 285.391 2.702 20 30 CFEDHN N#CCCN1CCN(CCCC2CCCCC2)CC1 ZINC000602748085 351012664 /nfs/dbraw/zinc/01/26/64/351012664.db2.gz KERVFKDHEZVSRT-UHFFFAOYSA-N 0 3 263.429 2.878 20 30 CFEDHN CC1=C[C@H](C)C[C@@H](CN2CCN(CCC#N)CC2)C1 ZINC000602747889 351012692 /nfs/dbraw/zinc/01/26/92/351012692.db2.gz IBHLULMLPZBQMZ-GOEBONIOSA-N 0 3 261.413 2.510 20 30 CFEDHN CC[C@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748864 351013077 /nfs/dbraw/zinc/01/30/77/351013077.db2.gz TWSJDUOHZIYOOJ-MRXNPFEDSA-N 0 3 271.408 2.711 20 30 CFEDHN C[C@@H](CCc1ccccc1)CN1CCN(CCC#N)CC1 ZINC000602749100 351014043 /nfs/dbraw/zinc/01/40/43/351014043.db2.gz XZHAMUFUMRCTOJ-KRWDZBQOSA-N 0 3 285.435 2.787 20 30 CFEDHN CC(C)[C@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227964 351121658 /nfs/dbraw/zinc/12/16/58/351121658.db2.gz XEECRAJZWHWMTO-AWEZNQCLSA-N 0 3 289.770 2.507 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000603227689 351121997 /nfs/dbraw/zinc/12/19/97/351121997.db2.gz OCBHTEHGWIHYBI-XHDPSFHLSA-N 0 3 283.379 2.805 20 30 CFEDHN CCC[C@@H](N)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603228585 351122584 /nfs/dbraw/zinc/12/25/84/351122584.db2.gz RFWMJHGIGNPYHO-BXUZGUMPSA-N 0 3 269.352 2.559 20 30 CFEDHN Cc1cc(Cn2cc(CNC3CCCC3)nn2)ccc1C#N ZINC000603235945 351123747 /nfs/dbraw/zinc/12/37/47/351123747.db2.gz KHXOLJLZYBFGMT-UHFFFAOYSA-N 0 3 295.390 2.539 20 30 CFEDHN Cc1ccc(C(=O)NC2CCN(CCCCC#N)CC2)cc1 ZINC000602931612 351069173 /nfs/dbraw/zinc/06/91/73/351069173.db2.gz HQZNIOAZKWDPRX-UHFFFAOYSA-N 0 3 299.418 2.883 20 30 CFEDHN COc1ccc(CN(CCCC#N)[C@@H](C)CCCO)cc1 ZINC000602966496 351073181 /nfs/dbraw/zinc/07/31/81/351073181.db2.gz HNOPRHSYSWQOTM-HNNXBMFYSA-N 0 3 290.407 2.962 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602981883 351083705 /nfs/dbraw/zinc/08/37/05/351083705.db2.gz KVHYMDJTNDBNQO-CABCVRRESA-N 0 3 275.396 2.711 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602981884 351083830 /nfs/dbraw/zinc/08/38/30/351083830.db2.gz KVHYMDJTNDBNQO-GJZGRUSLSA-N 0 3 275.396 2.711 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000604328485 351207725 /nfs/dbraw/zinc/20/77/25/351207725.db2.gz VUUXCYOETPIKTL-MRXNPFEDSA-N 0 3 298.430 2.873 20 30 CFEDHN N#Cc1cnn2cc(CNCCC3=CCCCC3)cnc12 ZINC000609006034 351483448 /nfs/dbraw/zinc/48/34/48/351483448.db2.gz SKJPDJFZPDEQMZ-UHFFFAOYSA-N 0 3 281.363 2.581 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000610001832 351530391 /nfs/dbraw/zinc/53/03/91/351530391.db2.gz CMWHWOPCEAJWDU-YSVLISHTSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](C[C@H]1CCOC1)NCc1ccc(C#N)cc1F ZINC000610812778 351611385 /nfs/dbraw/zinc/61/13/85/351611385.db2.gz QLAZQLLGMZLYLT-WCQYABFASA-N 0 3 262.328 2.602 20 30 CFEDHN N#CCCCN[C@H](Cn1cccn1)c1ccccc1 ZINC000610432932 351567274 /nfs/dbraw/zinc/56/72/74/351567274.db2.gz IXRMAVZHIMWCSN-OAHLLOKOSA-N 0 3 254.337 2.518 20 30 CFEDHN CCN1CCCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610515249 351575200 /nfs/dbraw/zinc/57/52/00/351575200.db2.gz NJWHNLFFZPMJSU-UHFFFAOYSA-N 0 3 294.402 2.947 20 30 CFEDHN N#Cc1ccc(CNCCN2Cc3ccccc3C2)s1 ZINC000610511354 351575781 /nfs/dbraw/zinc/57/57/81/351575781.db2.gz APPGVVTWMZZUBH-UHFFFAOYSA-N 0 3 283.400 2.725 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610360396 351558900 /nfs/dbraw/zinc/55/89/00/351558900.db2.gz YJYYSOUULZRWAS-CZUORRHYSA-N 0 3 285.391 2.610 20 30 CFEDHN CC(C)N(CCc1nccs1)Cc1ccnc(C#N)c1 ZINC000611091789 351639867 /nfs/dbraw/zinc/63/98/67/351639867.db2.gz PCAYCHNRXBQRKN-UHFFFAOYSA-N 0 3 286.404 2.863 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@@H](C(F)F)C1 ZINC000611180294 351648735 /nfs/dbraw/zinc/64/87/35/351648735.db2.gz WMPGRAJICZGNCL-SNVBAGLBSA-N 0 3 299.346 2.535 20 30 CFEDHN N#Cc1cc(CN(C[C@@H]2CCCO2)C2CCCC2)ccn1 ZINC000610993964 351631268 /nfs/dbraw/zinc/63/12/68/351631268.db2.gz OPJMZBSCGKBYNW-KRWDZBQOSA-N 0 3 285.391 2.877 20 30 CFEDHN COC(=O)C(C)(C)[C@H](NCCCC#N)c1ccccc1 ZINC000611405089 351683819 /nfs/dbraw/zinc/68/38/19/351683819.db2.gz HCBYTUQCHATMGZ-CQSZACIVSA-N 0 3 274.364 2.820 20 30 CFEDHN CC(C)[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000611438839 351690088 /nfs/dbraw/zinc/69/00/88/351690088.db2.gz AXSWIXTVUIKCOY-YOEHRIQHSA-N 0 3 299.418 2.856 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611559889 351708721 /nfs/dbraw/zinc/70/87/21/351708721.db2.gz HPVQXYQITAMTOT-LBPRGKRZSA-N 0 3 264.325 2.756 20 30 CFEDHN C[C@H](NCC[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000611586142 351712214 /nfs/dbraw/zinc/71/22/14/351712214.db2.gz GGCGUZXGIAOZBD-WCQYABFASA-N 0 3 262.328 2.917 20 30 CFEDHN N#Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000612130798 351778959 /nfs/dbraw/zinc/77/89/59/351778959.db2.gz NNDHOVDRKNQFHH-KRWDZBQOSA-N 0 3 270.376 2.807 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2cccc(F)c2C#N)CN1C1CC1 ZINC000122266812 187023401 /nfs/dbraw/zinc/02/34/01/187023401.db2.gz IQYQUEPANWOVED-GHMZBOCLSA-N 0 3 259.328 2.734 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CN1C1CC1 ZINC000122267283 187023482 /nfs/dbraw/zinc/02/34/82/187023482.db2.gz CJPAEZXHQQCDJX-PWSUYJOCSA-N 0 3 286.335 2.504 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1[C@@H](C)CC[C@@H]1C ZINC000123055159 187068704 /nfs/dbraw/zinc/06/87/04/187068704.db2.gz SVODNDWFKILHTG-STQMWFEESA-N 0 3 274.364 2.818 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000613385534 351948596 /nfs/dbraw/zinc/94/85/96/351948596.db2.gz RUWCKOSQWOBOOH-LSDHHAIUSA-N 0 3 265.397 2.842 20 30 CFEDHN Cc1cccc2c1ncc(C)c2NC1CCN(CC#N)CC1 ZINC000613180245 351910393 /nfs/dbraw/zinc/91/03/93/351910393.db2.gz SQJAPAJFHUBFOI-UHFFFAOYSA-N 0 3 294.402 2.673 20 30 CFEDHN C=C(C)CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291944602 198113589 /nfs/dbraw/zinc/11/35/89/198113589.db2.gz UIAQXOMTONABAO-KRWDZBQOSA-N 0 3 259.393 2.880 20 30 CFEDHN CN1CC[C@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)[C@@H]2C1 ZINC000613429333 351958415 /nfs/dbraw/zinc/95/84/15/351958415.db2.gz QTDUMEDYAFMDGM-DZGCQCFKSA-N 0 3 298.434 2.781 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(C)C[C@H]1CC ZINC000614329803 352080091 /nfs/dbraw/zinc/08/00/91/352080091.db2.gz IWJAFRFUXIHGIS-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614403442 352090349 /nfs/dbraw/zinc/09/03/49/352090349.db2.gz YJPTWRINYDDEKO-HUUCEWRRSA-N 0 3 271.408 2.781 20 30 CFEDHN CCc1cccc(Cl)c1CNC1CCN(CC#N)CC1 ZINC000616089273 352282885 /nfs/dbraw/zinc/28/28/85/352282885.db2.gz YFZDWGDSHPCKOK-UHFFFAOYSA-N 0 3 291.826 2.980 20 30 CFEDHN C=CCC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292052107 198146100 /nfs/dbraw/zinc/14/61/00/198146100.db2.gz BPXAQVOJDHVDIC-LBPRGKRZSA-N 0 3 278.352 2.747 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC000617036440 352472853 /nfs/dbraw/zinc/47/28/53/352472853.db2.gz AVEWWBCOHPLYKS-ZIAGYGMSSA-N 0 3 252.402 2.578 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN(Cc3cccs3)C2)nc1 ZINC000292081166 198155939 /nfs/dbraw/zinc/15/59/39/198155939.db2.gz DODRWXXOECBWMX-ZDUSSCGKSA-N 0 3 285.372 2.668 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617343411 352545838 /nfs/dbraw/zinc/54/58/38/352545838.db2.gz SHUKQWBTJHJEOR-LBPRGKRZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000617614763 352604361 /nfs/dbraw/zinc/60/43/61/352604361.db2.gz MWVXQCBKPQDWBO-HNNXBMFYSA-N 0 3 290.382 2.730 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC000617416961 352561340 /nfs/dbraw/zinc/56/13/40/352561340.db2.gz FMYSGTPFHKRHGG-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000618571376 352813798 /nfs/dbraw/zinc/81/37/98/352813798.db2.gz GHWJIBDCKCDYNZ-ZYHUDNBSSA-N 0 3 286.301 2.617 20 30 CFEDHN C[S@](=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000618571854 352814786 /nfs/dbraw/zinc/81/47/86/352814786.db2.gz DZPLIKVSQFUHDX-LPMFXHHGSA-N 0 3 276.405 2.596 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc2nccn21 ZINC000618741966 352875983 /nfs/dbraw/zinc/87/59/83/352875983.db2.gz JDZBYSXYTWFZFI-KRWDZBQOSA-N 0 3 288.354 2.983 20 30 CFEDHN CCN(CC)C(=O)C[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618801950 352883215 /nfs/dbraw/zinc/88/32/15/352883215.db2.gz CREOKEQXEFNTGW-SUMWQHHRSA-N 0 3 299.418 2.782 20 30 CFEDHN Cn1ncc2c1CCC[C@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000618808230 352884813 /nfs/dbraw/zinc/88/48/13/352884813.db2.gz ZVELIYLHEPRPTC-SJORKVTESA-N 0 3 292.386 2.946 20 30 CFEDHN C=CCC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCCC1 ZINC000619108389 352955137 /nfs/dbraw/zinc/95/51/37/352955137.db2.gz UGJYAHHODJVPAG-OKILXGFUSA-N 0 3 264.413 2.864 20 30 CFEDHN COC(=O)C(C)(C)CCN[C@@H]1CCc2cc(C#N)ccc21 ZINC000619431086 353022367 /nfs/dbraw/zinc/02/23/67/353022367.db2.gz WILVWJMDLLOMNE-OAHLLOKOSA-N 0 3 286.375 2.724 20 30 CFEDHN N#CCC[C@H](C#N)CNCC1CCN(c2ccccc2)CC1 ZINC000619506617 353030093 /nfs/dbraw/zinc/03/00/93/353030093.db2.gz KZYKDUDMORDPGS-QGZVFWFLSA-N 0 3 296.418 2.936 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN(CCCCCF)C2)nc1 ZINC000292250600 198217884 /nfs/dbraw/zinc/21/78/84/198217884.db2.gz QVFHCBUBILCBSC-CQSZACIVSA-N 0 3 277.343 2.546 20 30 CFEDHN CC[C@H](C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619720467 353059014 /nfs/dbraw/zinc/05/90/14/353059014.db2.gz GVXYUNFZZWKXME-BBRMVZONSA-N 0 3 275.371 2.806 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000619755244 353064036 /nfs/dbraw/zinc/06/40/36/353064036.db2.gz DPINXODFIORJOY-GXFFZTMASA-N 0 3 259.740 2.994 20 30 CFEDHN CC(C)C[C@H](C)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000619621027 353040876 /nfs/dbraw/zinc/04/08/76/353040876.db2.gz MGIUAAULUVZUMG-HOTGVXAUSA-N 0 3 265.445 2.834 20 30 CFEDHN C[C@@H]1CCN(CCCC2(C#N)CCOCC2)C[C@@H]1F ZINC000619621212 353040901 /nfs/dbraw/zinc/04/09/01/353040901.db2.gz NURHMGITUGHBNE-KGLIPLIRSA-N 0 3 268.376 2.767 20 30 CFEDHN C=C[C@H](SCCN(C)Cc1ccccc1)C(=O)OC ZINC000619689401 353049817 /nfs/dbraw/zinc/04/98/17/353049817.db2.gz QFBRYWQVMUCGID-AWEZNQCLSA-N 0 3 279.405 2.579 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000152742962 188040509 /nfs/dbraw/zinc/04/05/09/188040509.db2.gz FNVSCQMQOCZHIW-CZUORRHYSA-N 0 3 277.795 2.927 20 30 CFEDHN C#CCCOc1ccc(CNCCSCC#C)cc1 ZINC000152943626 188054642 /nfs/dbraw/zinc/05/46/42/188054642.db2.gz FZEZNGTYXDYZEH-UHFFFAOYSA-N 0 3 273.401 2.545 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(F)ccc1OC ZINC000271663482 191266484 /nfs/dbraw/zinc/26/64/84/191266484.db2.gz LSJQDSSBODFDHI-YPMHNXCESA-N 0 3 267.344 2.812 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000620310465 353150354 /nfs/dbraw/zinc/15/03/54/353150354.db2.gz NZSPELNIAGUKGK-LJIZCISZSA-N 0 3 276.424 2.957 20 30 CFEDHN CN(C)Cc1ccnc(NCc2cccc(C#N)c2)c1 ZINC000153243684 188072669 /nfs/dbraw/zinc/07/26/69/188072669.db2.gz PAJLVSUPNHTEMZ-UHFFFAOYSA-N 0 3 266.348 2.627 20 30 CFEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Nc2cccc(C#N)c2)C1 ZINC000153357426 188078333 /nfs/dbraw/zinc/07/83/33/188078333.db2.gz YQTSRSZJTVWDBM-GDBMZVCRSA-N 0 3 298.390 2.506 20 30 CFEDHN Cc1nc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c(Cl)cc1C#N ZINC000292350379 198254300 /nfs/dbraw/zinc/25/43/00/198254300.db2.gz BWUORYJGXWTYEN-GXFFZTMASA-N 0 3 292.814 2.834 20 30 CFEDHN CC(C)SCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292328691 198246626 /nfs/dbraw/zinc/24/66/26/198246626.db2.gz WGMCFHIOACEDOK-AWEZNQCLSA-N 0 3 291.420 2.548 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000273507247 192179138 /nfs/dbraw/zinc/17/91/38/192179138.db2.gz QEKKUKQXPPEZFQ-LBPRGKRZSA-N 0 3 297.782 2.528 20 30 CFEDHN COc1ccccc1N1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000154391122 188139402 /nfs/dbraw/zinc/13/94/02/188139402.db2.gz DMGJNRJKGGEPND-CYBMUJFWSA-N 0 3 297.358 2.528 20 30 CFEDHN C=CCCC(C)(C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000620858678 353242562 /nfs/dbraw/zinc/24/25/62/353242562.db2.gz OGKJCYPFBQTJBF-STQMWFEESA-N 0 3 252.402 2.720 20 30 CFEDHN N#Cc1cccc(OCCN2CCC(CF)CC2)c1 ZINC000295168887 199384911 /nfs/dbraw/zinc/38/49/11/199384911.db2.gz PRMXEZDIPQWBDO-UHFFFAOYSA-N 0 3 262.328 2.619 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1cccc(F)c1 ZINC000292468711 198299476 /nfs/dbraw/zinc/29/94/76/198299476.db2.gz XIGDQNPKWKLVQD-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN C#CCCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000156529517 188267769 /nfs/dbraw/zinc/26/77/69/188267769.db2.gz BHWZYWMFOAFTAM-UHFFFAOYSA-N 0 3 284.403 2.816 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301668 290368641 /nfs/dbraw/zinc/36/86/41/290368641.db2.gz OIWHCGSYUUSYQL-VXGBXAGGSA-N 0 3 273.336 2.944 20 30 CFEDHN CCOCCO[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000157727504 188335701 /nfs/dbraw/zinc/33/57/01/188335701.db2.gz KQADNRHWNJUFPT-PBHICJAKSA-N 0 3 288.391 2.747 20 30 CFEDHN C#CC[C@@H](NCCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000271684615 191275560 /nfs/dbraw/zinc/27/55/60/191275560.db2.gz JEFVDHKKBCQXKL-OAHLLOKOSA-N 0 3 297.358 2.666 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000292621190 198353511 /nfs/dbraw/zinc/35/35/11/198353511.db2.gz JTBPVPIQIGWITQ-ZDUSSCGKSA-N 0 3 282.334 2.617 20 30 CFEDHN C=CCCOCCNCc1ccc(F)c(F)c1N(C)C ZINC000623473924 353652355 /nfs/dbraw/zinc/65/23/55/353652355.db2.gz MHAFTAMNJSXRBW-UHFFFAOYSA-N 0 3 284.350 2.713 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)c(OC)c1 ZINC000623542153 353667591 /nfs/dbraw/zinc/66/75/91/353667591.db2.gz PIXJCSNOMJWTTP-LBPRGKRZSA-N 0 3 269.772 2.765 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(C)c(Br)cn1 ZINC000623542191 353668551 /nfs/dbraw/zinc/66/85/51/353668551.db2.gz QMBQPKVGRKKJDM-NSHDSACASA-N 0 3 299.212 2.569 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC(C)(C)C=C)CC1 ZINC000623634894 353691437 /nfs/dbraw/zinc/69/14/37/353691437.db2.gz FECBPIIQAHOORN-UHFFFAOYSA-N 0 3 279.428 2.538 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624178317 353825721 /nfs/dbraw/zinc/82/57/21/353825721.db2.gz AUASCQAEMIRFHD-HNNXBMFYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316347 353861197 /nfs/dbraw/zinc/86/11/97/353861197.db2.gz OFXMJVUADAWXPX-PMPSAXMXSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624459497 353885117 /nfs/dbraw/zinc/88/51/17/353885117.db2.gz DIWNOMNEIJRAFF-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000625895745 354134898 /nfs/dbraw/zinc/13/48/98/354134898.db2.gz BRKRLYQRZZALCL-CYBMUJFWSA-N 0 3 273.380 2.836 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000625700694 354089446 /nfs/dbraw/zinc/08/94/46/354089446.db2.gz LBELRUAKEKYGSQ-MRXNPFEDSA-N 0 3 276.424 2.891 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccccc2C)C1 ZINC000625705109 354091270 /nfs/dbraw/zinc/09/12/70/354091270.db2.gz XJLIUGRQOQKHMR-INIZCTEOSA-N 0 3 286.419 2.851 20 30 CFEDHN C=CC[C@@H]1CCN(CCOCC(F)(F)C(F)F)C1 ZINC000625704330 354091305 /nfs/dbraw/zinc/09/13/05/354091305.db2.gz XTSHMXQSKZRODV-SNVBAGLBSA-N 0 3 269.282 2.801 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000625705166 354091436 /nfs/dbraw/zinc/09/14/36/354091436.db2.gz YBLGUFYZTOPIGS-ZNMIVQPWSA-N 0 3 264.413 2.579 20 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CFEDHN CCCCN(CCCO)Cc1cc(C#N)ccc1F ZINC000271760002 191309998 /nfs/dbraw/zinc/30/99/98/191309998.db2.gz OTYPEAJVDWBGET-UHFFFAOYSA-N 0 3 264.344 2.682 20 30 CFEDHN C=C(CNCc1cnc(CC)nc1)c1ccccc1 ZINC000414303333 540084996 /nfs/dbraw/zinc/08/49/96/540084996.db2.gz NNPKVDPYBJYJSZ-UHFFFAOYSA-N 0 3 253.349 2.842 20 30 CFEDHN C=CCN1C(=O)c2ccccc2N[C@]12CCN(C)C(C)(C)C2 ZINC000630387965 355067447 /nfs/dbraw/zinc/06/74/47/355067447.db2.gz YEAGUNGVUTWFSI-GOSISDBHSA-N 0 3 299.418 2.941 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271786922 191325832 /nfs/dbraw/zinc/32/58/32/191325832.db2.gz LXOFKESVUHZYNX-TZMCWYRMSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000630739418 355164961 /nfs/dbraw/zinc/16/49/61/355164961.db2.gz WQPFOTUDNZSUJJ-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271786921 191325529 /nfs/dbraw/zinc/32/55/29/191325529.db2.gz LXOFKESVUHZYNX-OCCSQVGLSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C1CC(C)(C(=O)NCCN(C)Cc2ccccc2)C1 ZINC000630810183 355183436 /nfs/dbraw/zinc/18/34/36/355183436.db2.gz ACHURPVFMAHMDF-UHFFFAOYSA-N 0 3 272.392 2.591 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2coc(SC)c2)CC1 ZINC000630941280 355223551 /nfs/dbraw/zinc/22/35/51/355223551.db2.gz CBZBMFFVOHDQIW-UHFFFAOYSA-N 0 3 294.420 2.772 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3cccnc3c2)CC1 ZINC000630943019 355224406 /nfs/dbraw/zinc/22/44/06/355224406.db2.gz MYJXHWHCNXPJFG-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271815545 191343954 /nfs/dbraw/zinc/34/39/54/191343954.db2.gz BKRGJAVOSNAVMY-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN2CCC[C@@H]2C1 ZINC000094460880 283092450 /nfs/dbraw/zinc/09/24/50/283092450.db2.gz CLIWPDZNXGNPCM-CYBMUJFWSA-N 0 3 295.308 2.861 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)nc1 ZINC000271897904 191397622 /nfs/dbraw/zinc/39/76/22/191397622.db2.gz YPWWQPZKPVTYRH-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN N#Cc1cc(Cl)ccc1N1CC[C@H](N2CCCC2)C1 ZINC000071397992 283094866 /nfs/dbraw/zinc/09/48/66/283094866.db2.gz XXBPIQONPIIJAB-AWEZNQCLSA-N 0 3 275.783 2.886 20 30 CFEDHN N#Cc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000265726683 283123706 /nfs/dbraw/zinc/12/37/06/283123706.db2.gz OZDOGTNGUQVFON-UHFFFAOYSA-N 0 3 297.402 2.649 20 30 CFEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000293605660 198699881 /nfs/dbraw/zinc/69/98/81/198699881.db2.gz DRTVTNLRZOBHPP-BONVTDFDSA-N 0 3 262.328 2.773 20 30 CFEDHN N#Cc1ccc(CNCCn2ccnc2)c(C(F)(F)F)c1 ZINC000352838608 283145175 /nfs/dbraw/zinc/14/51/75/283145175.db2.gz GAFYFOIYTMRHQX-UHFFFAOYSA-N 0 3 294.280 2.563 20 30 CFEDHN N#Cc1ccc(CNCCC2(CO)CC2)c(C(F)(F)F)c1 ZINC000449581020 283145399 /nfs/dbraw/zinc/14/53/99/283145399.db2.gz WIRXXZLOCYRDRC-UHFFFAOYSA-N 0 3 298.308 2.829 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCC2)c(C(F)(F)F)c1 ZINC000352843714 283144766 /nfs/dbraw/zinc/14/47/66/283144766.db2.gz CDZQXQJPAHTVOG-UHFFFAOYSA-N 0 3 284.281 2.582 20 30 CFEDHN C=CC[C@@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000680483702 540229956 /nfs/dbraw/zinc/22/99/56/540229956.db2.gz AAPNPWLNSWZDDJ-LBPRGKRZSA-N 0 3 276.767 2.915 20 30 CFEDHN C=C(C)[C@H](CO)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000680580820 540240322 /nfs/dbraw/zinc/24/03/22/540240322.db2.gz FQLCUEUFYUCSKT-MSOLQXFVSA-N 0 3 288.435 2.520 20 30 CFEDHN N#Cc1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nn1 ZINC000301868955 283179273 /nfs/dbraw/zinc/17/92/73/283179273.db2.gz CIESLHLWTKIWHN-INIZCTEOSA-N 0 3 293.374 2.597 20 30 CFEDHN C[C@H](NC(C)(C)c1cccs1)C(=O)NC1(C#N)CCC1 ZINC000346533301 299256994 /nfs/dbraw/zinc/25/69/94/299256994.db2.gz NWCOZMFQPMRCDW-NSHDSACASA-N 0 3 291.420 2.524 20 30 CFEDHN N#Cc1sc(N2CC[C@@H](N3CCCCC3)C2)nc1Cl ZINC000287387553 283260266 /nfs/dbraw/zinc/26/02/66/283260266.db2.gz OWNKEMDMAMUYGZ-SNVBAGLBSA-N 0 3 296.827 2.733 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1ccc(C#N)c(OC)c1)OC ZINC000294356013 199010193 /nfs/dbraw/zinc/01/01/93/199010193.db2.gz ZQXWUMARWXXCQS-WBMJQRKESA-N 0 3 276.380 2.718 20 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C=C(C)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299583433 200789080 /nfs/dbraw/zinc/78/90/80/200789080.db2.gz BXYOGSBWEAKOPG-UHFFFAOYSA-N 0 3 283.375 2.785 20 30 CFEDHN C=CCC[C@@H](NCC(=O)NCC=C)c1ccccc1 ZINC000180041630 189234510 /nfs/dbraw/zinc/23/45/10/189234510.db2.gz PYRZERVRTFXBAA-OAHLLOKOSA-N 0 3 258.365 2.586 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000180365414 189251684 /nfs/dbraw/zinc/25/16/84/189251684.db2.gz TZAHXNZXIMBYJI-SJLPKXTDSA-N 0 3 298.430 2.959 20 30 CFEDHN C#CCSCCN[C@H]1CCCc2nc(C)sc21 ZINC000181095635 189288180 /nfs/dbraw/zinc/28/81/80/189288180.db2.gz FJEONBDNVQACMI-NSHDSACASA-N 0 3 266.435 2.785 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181093241 189288358 /nfs/dbraw/zinc/28/83/58/189288358.db2.gz BVPJFJQUMXINMN-LBPRGKRZSA-N 0 3 278.377 2.920 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000181098746 189288408 /nfs/dbraw/zinc/28/84/08/189288408.db2.gz BIBRCZUIZOSVIW-ZDUSSCGKSA-N 0 3 293.432 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccnc(Cl)c2)CC1 ZINC000181908149 189309861 /nfs/dbraw/zinc/30/98/61/189309861.db2.gz BSPWYPPTDVGELT-UHFFFAOYSA-N 0 3 294.786 2.507 20 30 CFEDHN C[C@H](CNc1ccc(C#N)nc1)N(C)Cc1ccccc1 ZINC000301537324 201054582 /nfs/dbraw/zinc/05/45/82/201054582.db2.gz UIIICUIAVNRPOM-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@@H](CN(C)Cc1ccc(C#N)o1)c1nccs1 ZINC000183262969 189352640 /nfs/dbraw/zinc/35/26/40/189352640.db2.gz WGCNDCUGZFCKTA-JTQLQIEISA-N 0 3 261.350 2.843 20 30 CFEDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000183051390 189344663 /nfs/dbraw/zinc/34/46/63/189344663.db2.gz GGFWYZIWPVBFSB-NEPJUHHUSA-N 0 3 259.353 2.521 20 30 CFEDHN CO[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425536961 239092633 /nfs/dbraw/zinc/09/26/33/239092633.db2.gz PTFWRPOEPLXIGI-BLLLJJGKSA-N 0 3 258.365 2.976 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCC(F)F ZINC000425536060 239092718 /nfs/dbraw/zinc/09/27/18/239092718.db2.gz OBBODEYNESHKHE-LLVKDONJSA-N 0 3 268.307 2.833 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NC1CCN(C2CC2)CC1 ZINC000302103769 201342470 /nfs/dbraw/zinc/34/24/70/201342470.db2.gz MMCCVEKDJHKPSW-UHFFFAOYSA-N 0 3 283.375 2.800 20 30 CFEDHN CCN1CCCC[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302210437 201399414 /nfs/dbraw/zinc/39/94/14/201399414.db2.gz MEWSFRKKPXHOOZ-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN C[C@@H]1C[C@@]2(CCO1)CN(CCC(C)(C)C#N)C[C@H](C)O2 ZINC000347075633 297317007 /nfs/dbraw/zinc/31/70/07/297317007.db2.gz FFEFUATZSMAJKW-YCPHGPKFSA-N 0 3 280.412 2.585 20 30 CFEDHN C[C@@H](O)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000433080086 240097225 /nfs/dbraw/zinc/09/72/25/240097225.db2.gz ABRBYNWBZWRJIG-MNOVXSKESA-N 0 3 250.317 2.509 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000672576832 541443018 /nfs/dbraw/zinc/44/30/18/541443018.db2.gz RDDHONOWJMXNGA-JSGCOSHPSA-N 0 3 279.380 2.600 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2=CCCCC2)CC1 ZINC000275637546 193092841 /nfs/dbraw/zinc/09/28/41/193092841.db2.gz AVQZFSZOMOMDCC-UHFFFAOYSA-N 0 3 262.397 2.644 20 30 CFEDHN CCC1(O)CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275640675 193092907 /nfs/dbraw/zinc/09/29/07/193092907.db2.gz OJIQWUGRTOFAEL-ZDUSSCGKSA-N 0 3 258.365 2.856 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)c1cc(C#N)cs1 ZINC000275734330 193115904 /nfs/dbraw/zinc/11/59/04/193115904.db2.gz XVFMDJTUEUENAT-UHFFFAOYSA-N 0 3 299.399 2.976 20 30 CFEDHN CC#CCCCC(=O)Nc1ccccc1CCN(C)C ZINC000275738347 193117373 /nfs/dbraw/zinc/11/73/73/193117373.db2.gz YJBOXMBTPKINHO-UHFFFAOYSA-N 0 3 272.392 2.923 20 30 CFEDHN Cc1cc(CNC[C@@H]2Cc3ccccc3O2)ccc1C#N ZINC000443962504 241097553 /nfs/dbraw/zinc/09/75/53/241097553.db2.gz RQWJADKIUCJTOG-KRWDZBQOSA-N 0 3 278.355 2.960 20 30 CFEDHN C[C@H]1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CN1C1CC1 ZINC000450380808 242387310 /nfs/dbraw/zinc/38/73/10/242387310.db2.gz SEFJCJLMVBWPGW-JQWIXIFHSA-N 0 3 286.335 2.504 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc(C#N)cc1 ZINC000452342392 243139990 /nfs/dbraw/zinc/13/99/90/243139990.db2.gz OYTLKQDQRDQQJV-KRWDZBQOSA-N 0 3 299.418 2.799 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000249130977 284066522 /nfs/dbraw/zinc/06/65/22/284066522.db2.gz UVKWWHMCBLAOLH-DVOMOZLQSA-N 0 3 286.375 2.750 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCCc1ccccc1C ZINC000276452276 193335851 /nfs/dbraw/zinc/33/58/51/193335851.db2.gz PRZYPHBZEDWLHP-OAHLLOKOSA-N 0 3 274.408 2.550 20 30 CFEDHN N#CC(C(=O)c1ccc2c(n1)CCCC2)c1ccccn1 ZINC000676771817 541792064 /nfs/dbraw/zinc/79/20/64/541792064.db2.gz QXATXWDXWNCRFN-CYBMUJFWSA-N 0 3 277.327 2.845 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000412114674 284229849 /nfs/dbraw/zinc/22/98/49/284229849.db2.gz YBJJUUIKEZMBTQ-DYVFJYSZSA-N 0 3 286.375 2.894 20 30 CFEDHN CCC#C[C@@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000677047393 541813814 /nfs/dbraw/zinc/81/38/14/541813814.db2.gz YZLIJYRSOXHQNX-QGZVFWFLSA-N 0 3 270.420 2.649 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000459475145 245190089 /nfs/dbraw/zinc/19/00/89/245190089.db2.gz KNKKPKORCTYRGU-BETUJISGSA-N 0 3 275.371 2.612 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000677476536 541864158 /nfs/dbraw/zinc/86/41/58/541864158.db2.gz UEUWUJVRNLHCBH-CYBMUJFWSA-N 0 3 289.297 2.954 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000677480665 541865575 /nfs/dbraw/zinc/86/55/75/541865575.db2.gz YNPMNYDQJHTWIS-INIZCTEOSA-N 0 3 285.391 2.679 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480207 541865694 /nfs/dbraw/zinc/86/56/94/541865694.db2.gz VEKRTFUMJXODOJ-ZFWWWQNUSA-N 0 3 286.375 2.944 20 30 CFEDHN CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000296306849 284307410 /nfs/dbraw/zinc/30/74/10/284307410.db2.gz GDHJBMOFJDQWJW-CJNGLKHVSA-N 0 3 287.407 2.712 20 30 CFEDHN Cc1nnc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[n-]1 ZINC000329216917 227358407 /nfs/dbraw/zinc/35/84/07/227358407.db2.gz PHBLBZKDPNJBAG-GWCFXTLKSA-N 0 3 291.399 2.538 20 30 CFEDHN Cc1nnc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[n-]1 ZINC000329216917 227358414 /nfs/dbraw/zinc/35/84/14/227358414.db2.gz PHBLBZKDPNJBAG-GWCFXTLKSA-N 0 3 291.399 2.538 20 30 CFEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000035766141 372550012 /nfs/dbraw/zinc/55/00/12/372550012.db2.gz QQXVAAWSIFETON-UHFFFAOYSA-N 0 3 271.364 2.761 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(Cc2ccccc2)CC1 ZINC000036679452 372585570 /nfs/dbraw/zinc/58/55/70/372585570.db2.gz GYRWNUWIRCIWKO-MRXNPFEDSA-N 0 3 271.408 2.933 20 30 CFEDHN CCN(CC(C)C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037111576 372651028 /nfs/dbraw/zinc/65/10/28/372651028.db2.gz FTWKHBWDJTUVLF-ZDUSSCGKSA-N 0 3 273.380 2.863 20 30 CFEDHN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 ZINC000037652046 372687271 /nfs/dbraw/zinc/68/72/71/372687271.db2.gz SIRJGRUNSJNNKG-GFCCVEGCSA-N 0 3 279.343 2.508 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)CC1 ZINC000042287181 372900536 /nfs/dbraw/zinc/90/05/36/372900536.db2.gz CTSGJPHAOORKPZ-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN CN1CCN(CCCCC#N)[C@H](c2ccccc2)C1 ZINC000042314545 372906969 /nfs/dbraw/zinc/90/69/69/372906969.db2.gz CTGUVTQSYYQJOB-INIZCTEOSA-N 0 3 257.381 2.669 20 30 CFEDHN N#Cc1cccc(CN2CCN(C3CCCC3)CC2)c1 ZINC000045767581 373031550 /nfs/dbraw/zinc/03/15/50/373031550.db2.gz LODUHFARLJOBNZ-UHFFFAOYSA-N 0 3 269.392 2.618 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)CC)C(C)C ZINC000047633742 373110080 /nfs/dbraw/zinc/11/00/80/373110080.db2.gz RMXKZNGROCHASX-CABCVRRESA-N 0 3 266.429 2.847 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)SC)C(C)C ZINC000047851860 373121244 /nfs/dbraw/zinc/12/12/44/373121244.db2.gz BRXKZNZLFZHRFQ-ZIAGYGMSSA-N 0 3 284.469 2.553 20 30 CFEDHN CC(C)[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000049077777 373264785 /nfs/dbraw/zinc/26/47/85/373264785.db2.gz CXQFAHMUTSILCT-HNNXBMFYSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@H](c1cccs1)N(C)CCC(=O)N(C)CCC#N ZINC000049726768 373316639 /nfs/dbraw/zinc/31/66/39/373316639.db2.gz LRRXCRYRQHEZQQ-GFCCVEGCSA-N 0 3 279.409 2.503 20 30 CFEDHN N#CCCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000052866038 373452446 /nfs/dbraw/zinc/45/24/46/373452446.db2.gz IYPWRABRIWMHAH-MRXNPFEDSA-N 0 3 258.365 2.971 20 30 CFEDHN C[C@@H](c1ccccc1F)N(C)CCC(=O)N(C)CCC#N ZINC000062014269 373743931 /nfs/dbraw/zinc/74/39/31/373743931.db2.gz AOIJPMNAPRQAGU-ZDUSSCGKSA-N 0 3 291.370 2.581 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C)CC1 ZINC000063308447 373803032 /nfs/dbraw/zinc/80/30/32/373803032.db2.gz JJWHWODPMGKJLG-CABCVRRESA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCN(CCc1ccccc1)CCn1cccn1 ZINC000065959243 373903902 /nfs/dbraw/zinc/90/39/02/373903902.db2.gz QQGLBIFDHHYFLY-UHFFFAOYSA-N 0 3 255.365 2.614 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)[C@H](C)C(C)C ZINC000065298663 373854728 /nfs/dbraw/zinc/85/47/28/373854728.db2.gz PAENEQUSCHRBIX-CQSZACIVSA-N 0 3 254.418 2.777 20 30 CFEDHN N#CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCC1 ZINC000066045730 373909898 /nfs/dbraw/zinc/90/98/98/373909898.db2.gz UHAYYGXZZCEBLN-UHFFFAOYSA-N 0 3 297.402 2.849 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000066898595 373962884 /nfs/dbraw/zinc/96/28/84/373962884.db2.gz FTDNUMRJIDHSKQ-MRXNPFEDSA-N 0 3 272.392 2.558 20 30 CFEDHN CCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000069091091 374047304 /nfs/dbraw/zinc/04/73/04/374047304.db2.gz MRAKUMUAZAWLFH-ZDUSSCGKSA-N 0 3 291.370 2.803 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000677802783 541906779 /nfs/dbraw/zinc/90/67/79/541906779.db2.gz ZDZFAMQXYOBCFB-ROUUACIJSA-N 0 3 289.419 2.647 20 30 CFEDHN COCC#CCNC1(c2ccc(F)cc2)CCCC1 ZINC000677818671 541909879 /nfs/dbraw/zinc/90/98/79/541909879.db2.gz FPDPALQQUSPBAE-UHFFFAOYSA-N 0 3 261.340 2.834 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000074206472 374409181 /nfs/dbraw/zinc/40/91/81/374409181.db2.gz SJMOTYUYNJNQHK-QWRGUYRKSA-N 0 3 298.333 2.629 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@](C)(O)c1ccccc1 ZINC000075826912 374506318 /nfs/dbraw/zinc/50/63/18/374506318.db2.gz JVIWVJHSBOURIP-GOSISDBHSA-N 0 3 280.371 2.898 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000076734857 374557186 /nfs/dbraw/zinc/55/71/86/374557186.db2.gz CQEPXTNABKSOEK-ZNMIVQPWSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000079939199 374636331 /nfs/dbraw/zinc/63/63/31/374636331.db2.gz MDSZNUUGURKJFF-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN COc1ccc(CNCCOCc2ccccc2)cc1C#N ZINC000080244640 374648888 /nfs/dbraw/zinc/64/88/88/374648888.db2.gz UNVRCCYJUIYOFI-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000081065328 374683625 /nfs/dbraw/zinc/68/36/25/374683625.db2.gz LXLDOQHKHUYBKK-LSDHHAIUSA-N 0 3 298.390 2.567 20 30 CFEDHN C=CCN(C)CCCOc1cc(OC)cc(OC)c1 ZINC000084865691 374793435 /nfs/dbraw/zinc/79/34/35/374793435.db2.gz VJSNSTPSBLMLLA-UHFFFAOYSA-N 0 3 265.353 2.591 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000089974737 374978415 /nfs/dbraw/zinc/97/84/15/374978415.db2.gz SYJSUONOCUPGQG-OAHLLOKOSA-N 0 3 291.391 2.692 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000089974738 374978495 /nfs/dbraw/zinc/97/84/95/374978495.db2.gz SYJSUONOCUPGQG-HNNXBMFYSA-N 0 3 291.391 2.692 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000090016734 374985916 /nfs/dbraw/zinc/98/59/16/374985916.db2.gz DWIUKBSGVVLJTQ-HZPDHXFCSA-N 0 3 293.432 2.861 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C)(CO)CC1 ZINC000186959692 296225292 /nfs/dbraw/zinc/22/52/92/296225292.db2.gz JILBJMIMVFMCBG-ZDUSSCGKSA-N 0 3 258.365 2.714 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CCN1C ZINC000090794950 375029984 /nfs/dbraw/zinc/02/99/84/375029984.db2.gz QGTHWFAFZZLXLJ-KOLCDFICSA-N 0 3 265.307 2.731 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H]1Cc2ccccc2O1 ZINC000090874879 375033894 /nfs/dbraw/zinc/03/38/94/375033894.db2.gz AABXKPIDBOXBRD-QGZVFWFLSA-N 0 3 278.355 2.994 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000091772685 375062027 /nfs/dbraw/zinc/06/20/27/375062027.db2.gz XENGYQJHPLIJLD-KRWDZBQOSA-N 0 3 287.407 2.647 20 30 CFEDHN CC#CCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000091887084 375066449 /nfs/dbraw/zinc/06/64/49/375066449.db2.gz VUPYQMRNRRJQRT-UHFFFAOYSA-N 0 3 261.340 2.830 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(n2cccn2)CC1 ZINC000092618087 375131257 /nfs/dbraw/zinc/13/12/57/375131257.db2.gz FZALHRBWUYNZPS-UHFFFAOYSA-N 0 3 295.386 2.732 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1ccc(Cl)cc1C#N ZINC000092631004 375131977 /nfs/dbraw/zinc/13/19/77/375131977.db2.gz LNVZYEFUYSEAQY-CYBMUJFWSA-N 0 3 263.772 2.742 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)CC1CCCC1 ZINC000092667256 375136751 /nfs/dbraw/zinc/13/67/51/375136751.db2.gz QHUVZBDTJCWKEO-UHFFFAOYSA-N 0 3 268.364 2.828 20 30 CFEDHN C=C(C)COCCNCc1cn(C)nc1-c1ccccc1 ZINC000093083822 375183551 /nfs/dbraw/zinc/18/35/51/375183551.db2.gz GOKSKIJNQGRAOL-UHFFFAOYSA-N 0 3 285.391 2.769 20 30 CFEDHN C=CCCCN(C)Cc1ccc(C(=O)OCC)o1 ZINC000093533672 375264005 /nfs/dbraw/zinc/26/40/05/375264005.db2.gz RHMZSHQQGAGHDK-UHFFFAOYSA-N 0 3 251.326 2.854 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000102342502 375671443 /nfs/dbraw/zinc/67/14/43/375671443.db2.gz QXDAPPOLMUNPMJ-UHFFFAOYSA-N 0 3 296.361 2.821 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000103113181 375713509 /nfs/dbraw/zinc/71/35/09/375713509.db2.gz DWKSUZRJTWGBDQ-UHFFFAOYSA-N 0 3 274.408 2.851 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@H](CO)CC1)c1ccc(C#N)cc1F ZINC000512643021 247215148 /nfs/dbraw/zinc/21/51/48/247215148.db2.gz UWPBLPIXHKWTOH-YRGRVCCFSA-N 0 3 276.355 2.899 20 30 CFEDHN N#Cc1ccc(Cl)cc1N1CC[C@@H](N2CCCC2)C1 ZINC000104177534 375771427 /nfs/dbraw/zinc/77/14/27/375771427.db2.gz DEXYPTASPIKCOT-CQSZACIVSA-N 0 3 275.783 2.886 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000106341341 375797016 /nfs/dbraw/zinc/79/70/16/375797016.db2.gz UYALMQNCQLIGEC-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCSCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106469581 375798604 /nfs/dbraw/zinc/79/86/04/375798604.db2.gz IOBNQJLUYLHKDZ-UHFFFAOYSA-N 0 3 282.365 2.612 20 30 CFEDHN C=C(CC)CN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000678625074 542055718 /nfs/dbraw/zinc/05/57/18/542055718.db2.gz LYDGHEMYTVKADN-UHFFFAOYSA-N 0 3 272.392 2.977 20 30 CFEDHN CCOc1ccc([C@@H](C)NCC#CCOC)cc1OCC ZINC000678723835 542062050 /nfs/dbraw/zinc/06/20/50/542062050.db2.gz AYAQMUFXSPKMRN-CQSZACIVSA-N 0 3 291.391 2.784 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1ccncc1F)C(C)C ZINC000678788771 542070425 /nfs/dbraw/zinc/07/04/25/542070425.db2.gz NTIUVCRKULRDOC-INIZCTEOSA-N 0 3 277.387 2.753 20 30 CFEDHN CC[C@H](C)[C@@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000112381595 375916633 /nfs/dbraw/zinc/91/66/33/375916633.db2.gz XVLMELLEEZIKNR-YOEHRIQHSA-N 0 3 290.407 2.866 20 30 CFEDHN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CC1 ZINC000112983269 375982210 /nfs/dbraw/zinc/98/22/10/375982210.db2.gz HVVHUZDHHAYDCT-UHFFFAOYSA-N 0 3 291.782 2.882 20 30 CFEDHN CCCCN(CC(=O)NCC#N)[C@H](CC)c1ccccc1 ZINC000114727469 376085259 /nfs/dbraw/zinc/08/52/59/376085259.db2.gz MLHFAYNIWQUEIN-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN C=CC[C@H](C)NCc1cc(OC)c(OC)cc1OC ZINC000116926638 376215993 /nfs/dbraw/zinc/21/59/93/376215993.db2.gz AICPCKFVSLAPSO-NSHDSACASA-N 0 3 265.353 2.767 20 30 CFEDHN C=C(C)CN1CCC(NCc2nc(C)cs2)CC1 ZINC000117385475 376241748 /nfs/dbraw/zinc/24/17/48/376241748.db2.gz XEOMFJUVPYMBSA-UHFFFAOYSA-N 0 3 265.426 2.582 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(n2cncn2)CC1 ZINC000118395481 376290454 /nfs/dbraw/zinc/29/04/54/376290454.db2.gz QVLQURUEMLXSJR-CYBMUJFWSA-N 0 3 281.363 2.548 20 30 CFEDHN C[C@@H]1SCCN(CCOc2cccc(C#N)c2)[C@H]1C ZINC000118412692 376292533 /nfs/dbraw/zinc/29/25/33/376292533.db2.gz IJJOTTITFKJQQH-STQMWFEESA-N 0 3 276.405 2.763 20 30 CFEDHN Cc1noc(C)c1C[C@H](C)NCc1cccc(C#N)c1 ZINC000119736123 376463279 /nfs/dbraw/zinc/46/32/79/376463279.db2.gz BYZOVEUXFQKMDD-NSHDSACASA-N 0 3 269.348 2.884 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000678843966 542082230 /nfs/dbraw/zinc/08/22/30/542082230.db2.gz PTCNWUBSSYAZNA-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2ccsc2)CC1 ZINC000264449408 190110299 /nfs/dbraw/zinc/11/02/99/190110299.db2.gz CDQPBECDAGWSQA-ONEGZZNKSA-N 0 3 276.405 2.528 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000120520551 376631309 /nfs/dbraw/zinc/63/13/09/376631309.db2.gz BCZJOVPWARSIQY-XQQFMLRXSA-N 0 3 271.364 2.758 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2(CCC)CC2)CC1 ZINC000120593460 376649735 /nfs/dbraw/zinc/64/97/35/376649735.db2.gz JTGHDQHOFMWNQK-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN COCC#CCN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678903545 542091837 /nfs/dbraw/zinc/09/18/37/542091837.db2.gz TXAIZSJXFCEBGL-INIZCTEOSA-N 0 3 261.340 2.825 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000678913281 542092629 /nfs/dbraw/zinc/09/26/29/542092629.db2.gz PWPUYPRCHPYKFF-CABCVRRESA-N 0 3 281.444 2.905 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccn3)C2)s1 ZINC000121766504 376899942 /nfs/dbraw/zinc/89/99/42/376899942.db2.gz XLXDIAQFAAJSOM-ZDUSSCGKSA-N 0 3 298.415 2.773 20 30 CFEDHN C=CC[C@@H](C)NCc1c(Br)c(C)nn1C ZINC000122234823 376924779 /nfs/dbraw/zinc/92/47/79/376924779.db2.gz MBVOWCXDINSMAY-MRVPVSSYSA-N 0 3 272.190 2.545 20 30 CFEDHN C=C(C)CNCc1cc2c(cc1SC)OCCO2 ZINC000122563398 376932928 /nfs/dbraw/zinc/93/29/28/376932928.db2.gz UNXWEJSGVCZOQC-UHFFFAOYSA-N 0 3 265.378 2.845 20 30 CFEDHN CC(C)C[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000123493193 376955267 /nfs/dbraw/zinc/95/52/67/376955267.db2.gz YDGZABQFFMWYNM-WBVHZDCISA-N 0 3 293.455 2.941 20 30 CFEDHN CCOc1cc(CN2CCC(C#N)CC2)ccc1OC ZINC000123704959 376969701 /nfs/dbraw/zinc/96/97/01/376969701.db2.gz IISBNXVQSQNMEK-UHFFFAOYSA-N 0 3 274.364 2.829 20 30 CFEDHN C=CCNc1nnc(SCC[C@H]2CCCN2C)s1 ZINC000124393975 377043773 /nfs/dbraw/zinc/04/37/73/377043773.db2.gz JZTLUYASFQLNFQ-SNVBAGLBSA-N 0 3 284.454 2.712 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000123903583 376994312 /nfs/dbraw/zinc/99/43/12/376994312.db2.gz SLOLRNGGGRMMTM-OAHLLOKOSA-N 0 3 271.364 2.566 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000124942735 377103916 /nfs/dbraw/zinc/10/39/16/377103916.db2.gz SPBFZEMLHXOJMG-UHFFFAOYSA-N 0 3 290.367 2.751 20 30 CFEDHN N#CCCCN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129341571 377413769 /nfs/dbraw/zinc/41/37/69/377413769.db2.gz VRGPEMUCDFIJIS-UHFFFAOYSA-N 0 3 297.402 2.591 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000129654718 377456576 /nfs/dbraw/zinc/45/65/76/377456576.db2.gz LWVJYJVHOOKYCZ-FUHWJXTLSA-N 0 3 288.435 2.520 20 30 CFEDHN N#Cc1ccc(CNCC2([C@@H](O)c3ccccc3)CC2)o1 ZINC000129680633 377459754 /nfs/dbraw/zinc/45/97/54/377459754.db2.gz FZUYKHNBXRSVLH-INIZCTEOSA-N 0 3 282.343 2.755 20 30 CFEDHN C[C@H](CNc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000265555278 190190018 /nfs/dbraw/zinc/19/00/18/190190018.db2.gz RBPYCZMPMYRRSK-CQSZACIVSA-N 0 3 292.386 2.812 20 30 CFEDHN C[C@@H](CNc1cccc(C#N)n1)N1CCc2ccccc2C1 ZINC000265555276 190190355 /nfs/dbraw/zinc/19/03/55/190190355.db2.gz RBPYCZMPMYRRSK-AWEZNQCLSA-N 0 3 292.386 2.812 20 30 CFEDHN C#CCOc1ccc(CNC[C@@H](O)c2ccsc2)cc1 ZINC000265773137 190205740 /nfs/dbraw/zinc/20/57/40/190205740.db2.gz MQOMSABKDICUMN-MRXNPFEDSA-N 0 3 287.384 2.583 20 30 CFEDHN C#CCOc1ccc(CNC[C@H](O)c2ccsc2)cc1 ZINC000265773136 190205339 /nfs/dbraw/zinc/20/53/39/190205339.db2.gz MQOMSABKDICUMN-INIZCTEOSA-N 0 3 287.384 2.583 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000265826749 190210558 /nfs/dbraw/zinc/21/05/58/190210558.db2.gz OXMHTRSGOWHSLC-UHFFFAOYSA-N 0 3 272.392 2.719 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CO)Cc1ccccc1 ZINC000131514398 377723083 /nfs/dbraw/zinc/72/30/83/377723083.db2.gz KEBHOWXVQONCAN-SFHVURJKSA-N 0 3 297.398 2.945 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccc(C#N)o2)C[C@@H]1OC ZINC000131418952 377708871 /nfs/dbraw/zinc/70/88/71/377708871.db2.gz WCBHLSCCEODASB-KGLIPLIRSA-N 0 3 262.353 2.835 20 30 CFEDHN C=CCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000132771169 377876135 /nfs/dbraw/zinc/87/61/35/377876135.db2.gz KHLOYKRCWULQBH-LLVKDONJSA-N 0 3 279.771 2.572 20 30 CFEDHN C=CCC[C@H](O)CN(CCCO)Cc1cccc(Cl)c1 ZINC000134281623 377997497 /nfs/dbraw/zinc/99/74/97/377997497.db2.gz PLHHUIKELOSVLU-INIZCTEOSA-N 0 3 297.826 2.852 20 30 CFEDHN CC#CCN1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134814551 378051941 /nfs/dbraw/zinc/05/19/41/378051941.db2.gz KLKYWMLJDMSUAK-CVEARBPZSA-N 0 3 261.340 2.737 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@H](CO)C1 ZINC000135096219 378081493 /nfs/dbraw/zinc/08/14/93/378081493.db2.gz RIBONEYOBHPVFR-AWEZNQCLSA-N 0 3 272.392 2.692 20 30 CFEDHN CC(C)(C#N)CCCN1CCS[C@H]2COCC[C@@H]21 ZINC000135541917 378143083 /nfs/dbraw/zinc/14/30/83/378143083.db2.gz MWDDDBQGQAJZRD-STQMWFEESA-N 0 3 268.426 2.523 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000135668899 378155110 /nfs/dbraw/zinc/15/51/10/378155110.db2.gz QJLYZBZULXOYFX-HNNXBMFYSA-N 0 3 297.427 2.984 20 30 CFEDHN C#CCSCCNCc1cc(F)c(F)cc1F ZINC000136195821 378188038 /nfs/dbraw/zinc/18/80/38/378188038.db2.gz SULJTFYVSTYTJY-UHFFFAOYSA-N 0 3 259.296 2.560 20 30 CFEDHN N#Cc1ccc(CNCCCOCC2CC2)s1 ZINC000135672884 378156856 /nfs/dbraw/zinc/15/68/56/378156856.db2.gz ASZQERHVTOBEFS-UHFFFAOYSA-N 0 3 250.367 2.526 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000451861178 383727496 /nfs/dbraw/zinc/72/74/96/383727496.db2.gz YZWHUADTCCOFSV-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN C#CCOc1ccccc1CN(C)C[C@@H]1CCCOC1 ZINC000152067657 378389325 /nfs/dbraw/zinc/38/93/25/378389325.db2.gz MSEMCOOGMWOELH-HNNXBMFYSA-N 0 3 273.376 2.557 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cnccn1)C(C)C ZINC000152069154 378389349 /nfs/dbraw/zinc/38/93/49/378389349.db2.gz CHVSLCBRXSSWFL-DOTOQJQBSA-N 0 3 288.439 2.826 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329296277 378451681 /nfs/dbraw/zinc/45/16/81/378451681.db2.gz SUHXHAVZRHFTTM-ZIAGYGMSSA-N 0 3 295.427 2.964 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152981949 378464041 /nfs/dbraw/zinc/46/40/41/378464041.db2.gz AIDBAPVEGODCFH-HZPDHXFCSA-N 0 3 256.349 2.559 20 30 CFEDHN CC1(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCCC1 ZINC000329614373 378469089 /nfs/dbraw/zinc/46/90/89/378469089.db2.gz PEHZEGURHXUZOV-CYBMUJFWSA-N 0 3 290.411 2.672 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328891240 378436855 /nfs/dbraw/zinc/43/68/55/378436855.db2.gz SKJVVGHMSXQOMC-XQQFMLRXSA-N 0 3 281.400 2.572 20 30 CFEDHN CCCn1cc(C(=O)NC[C@H]2CCCCN2C2CC2)cn1 ZINC000329944702 378515859 /nfs/dbraw/zinc/51/58/59/378515859.db2.gz IOZJFYPZMCWAEY-OAHLLOKOSA-N 0 3 290.411 2.615 20 30 CFEDHN Cc1ocnc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000330428214 378551854 /nfs/dbraw/zinc/55/18/54/378551854.db2.gz HSNZEXRMOKKUHW-IJLUTSLNSA-N 0 3 279.384 2.654 20 30 CFEDHN C#CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000154443446 378568052 /nfs/dbraw/zinc/56/80/52/378568052.db2.gz JEZJUMSBOIKWHN-INIZCTEOSA-N 0 3 288.347 2.506 20 30 CFEDHN COCCN(Cc1ccc(C#N)cn1)[C@@H]1CCC[C@H]1C ZINC000571816180 383729987 /nfs/dbraw/zinc/72/99/87/383729987.db2.gz RTABSTKKCZKLMX-CZUORRHYSA-N 0 3 273.380 2.590 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000330543748 378582068 /nfs/dbraw/zinc/58/20/68/378582068.db2.gz BCSIHWNYCIESFJ-BZUAXINKSA-N 0 3 294.439 2.568 20 30 CFEDHN Cc1csc(NC(=O)C(C#N)c2nc(C)c(C)s2)n1 ZINC000155649349 378630685 /nfs/dbraw/zinc/63/06/85/378630685.db2.gz FIBMYJNSGKJDNF-SECBINFHSA-N 0 3 292.389 2.771 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)CC1CCOCC1 ZINC000156080347 378635564 /nfs/dbraw/zinc/63/55/64/378635564.db2.gz YDLJWXKIMMXIDW-UHFFFAOYSA-N 0 3 261.340 2.536 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(C)onc2CC)CC1 ZINC000330641168 378593280 /nfs/dbraw/zinc/59/32/80/378593280.db2.gz DBMHRKQWNXISAH-UHFFFAOYSA-N 0 3 277.368 2.500 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cncnc1C(C)C ZINC000330684374 378596345 /nfs/dbraw/zinc/59/63/45/378596345.db2.gz JYURZDDYEBDFJI-ZDUSSCGKSA-N 0 3 290.411 2.779 20 30 CFEDHN C=CC1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000157698097 378657151 /nfs/dbraw/zinc/65/71/51/378657151.db2.gz NEBDWYWMSNOFIW-XJKSGUPXSA-N 0 3 272.392 2.747 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331291933 378664883 /nfs/dbraw/zinc/66/48/83/378664883.db2.gz PSGOHKFKPUUPJX-WOSRLPQWSA-N 0 3 288.391 2.548 20 30 CFEDHN COc1ccc(CN[C@H](CCO)c2ccccc2)cc1C#N ZINC000266156389 190235452 /nfs/dbraw/zinc/23/54/52/190235452.db2.gz LXTUMJKSJCFVMV-QGZVFWFLSA-N 0 3 296.370 2.780 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3cccc(C#N)c3F)C2)n[nH]1 ZINC000332381819 378756691 /nfs/dbraw/zinc/75/66/91/378756691.db2.gz YULVLLALTUIITR-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@H]2CCCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000332381819 378756695 /nfs/dbraw/zinc/75/66/95/378756695.db2.gz YULVLLALTUIITR-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3cccc(C#N)c3F)C2)[nH]1 ZINC000332381819 378756698 /nfs/dbraw/zinc/75/66/98/378756698.db2.gz YULVLLALTUIITR-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN COc1ccc(CNC[C@H](O)c2ccc(C)cc2)cc1C#N ZINC000266165043 190236089 /nfs/dbraw/zinc/23/60/89/190236089.db2.gz AANCENGPLHJOSD-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN N#Cc1cc(CN(C[C@H]2CCOC2)C2CC2)ccc1F ZINC000160851690 378804427 /nfs/dbraw/zinc/80/44/27/378804427.db2.gz WXZVOGYQRZSHOH-CYBMUJFWSA-N 0 3 274.339 2.698 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000161680372 378864054 /nfs/dbraw/zinc/86/40/54/378864054.db2.gz NACACVOWQLVDFP-ZFWWWQNUSA-N 0 3 299.418 2.717 20 30 CFEDHN C=CC[C@@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162134916 378895738 /nfs/dbraw/zinc/89/57/38/378895738.db2.gz RDGHXAWJSLPBKC-SKDRFNHKSA-N 0 3 297.196 2.530 20 30 CFEDHN Cc1ccncc1CNCc1ccc(OCC#N)cc1 ZINC000162680869 378926471 /nfs/dbraw/zinc/92/64/71/378926471.db2.gz IJQPVEAEIDAMGS-UHFFFAOYSA-N 0 3 267.332 2.582 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000162789316 378934860 /nfs/dbraw/zinc/93/48/60/378934860.db2.gz FCSJTRJDSWUBBX-ZFWWWQNUSA-N 0 3 299.418 2.717 20 30 CFEDHN CCC[C@@H](CC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163084432 378953109 /nfs/dbraw/zinc/95/31/09/378953109.db2.gz ICJPPNJBMQEHSC-CQSZACIVSA-N 0 3 294.420 2.500 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000163377404 378968268 /nfs/dbraw/zinc/96/82/68/378968268.db2.gz NJCRZIFJIFAGQD-HNNXBMFYSA-N 0 3 299.418 2.717 20 30 CFEDHN N#Cc1csc(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000335282604 379022463 /nfs/dbraw/zinc/02/24/63/379022463.db2.gz FLCAHUBIFMFYBM-GFCCVEGCSA-N 0 3 270.357 2.582 20 30 CFEDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000165718635 379041376 /nfs/dbraw/zinc/04/13/76/379041376.db2.gz KJSGBLDTOFBQGS-LBPRGKRZSA-N 0 3 288.351 2.610 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000335310688 379059117 /nfs/dbraw/zinc/05/91/17/379059117.db2.gz QUILIDWFZOCECR-IUCAKERBSA-N 0 3 259.334 2.633 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CC3(CCC3)C2)s1 ZINC000278729139 194126403 /nfs/dbraw/zinc/12/64/03/194126403.db2.gz UJRPPJVZBJFMPG-UHFFFAOYSA-N 0 3 276.405 2.652 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc2ccccc21 ZINC000335366776 379171328 /nfs/dbraw/zinc/17/13/28/379171328.db2.gz MPXATKQMVXCNIU-GFCCVEGCSA-N 0 3 252.317 2.958 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@]3(C2)CCCN(C)C3)CCC1 ZINC000334368497 379172117 /nfs/dbraw/zinc/17/21/17/379172117.db2.gz SMBSVWOOROGVTA-MRXNPFEDSA-N 0 3 276.424 2.677 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)s1 ZINC000278786854 194156454 /nfs/dbraw/zinc/15/64/54/194156454.db2.gz WCJFXWILZZAMLE-AWEZNQCLSA-N 0 3 264.394 2.747 20 30 CFEDHN COc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000171140906 379241578 /nfs/dbraw/zinc/24/15/78/379241578.db2.gz LEWVNRYUQICXKB-ZDUSSCGKSA-N 0 3 297.358 2.843 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H](c2cccnc2)C1 ZINC000335417666 379256882 /nfs/dbraw/zinc/25/68/82/379256882.db2.gz KVECTVVCKIHIQR-QGZVFWFLSA-N 0 3 263.344 2.943 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000335424550 379272437 /nfs/dbraw/zinc/27/24/37/379272437.db2.gz SGQNSWHKODWCJO-ZBFHGGJFSA-N 0 3 275.779 2.802 20 30 CFEDHN CC[C@H]1C[C@@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000334427983 379280129 /nfs/dbraw/zinc/28/01/29/379280129.db2.gz HQSPGWZHUXVIMT-OCCSQVGLSA-N 0 3 268.364 2.826 20 30 CFEDHN CC1(C#N)CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000334460220 379337806 /nfs/dbraw/zinc/33/78/06/379337806.db2.gz UKJBPVFZINBCPU-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(C)c2)CC1 ZINC000171716243 379382039 /nfs/dbraw/zinc/38/20/39/379382039.db2.gz JNVXXRKVCXHVSB-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2c(F)cccc2F)CC1 ZINC000171741351 379391820 /nfs/dbraw/zinc/39/18/20/379391820.db2.gz DWNGWUMSYFKTLR-UHFFFAOYSA-N 0 3 295.333 2.737 20 30 CFEDHN N#CCCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000171592649 379350541 /nfs/dbraw/zinc/35/05/41/379350541.db2.gz YCDGSDVEPHBQKH-UHFFFAOYSA-N 0 3 285.391 2.706 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccccc2C)CC1 ZINC000266737696 190277677 /nfs/dbraw/zinc/27/76/77/190277677.db2.gz MIZHGVHXDLNOMQ-UHFFFAOYSA-N 0 3 258.365 2.976 20 30 CFEDHN CC(C)N1CCCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000267182594 190309155 /nfs/dbraw/zinc/30/91/55/190309155.db2.gz FUVNUYWKLHUAMN-UHFFFAOYSA-N 0 3 278.787 2.527 20 30 CFEDHN C=CCCCN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172829499 379653694 /nfs/dbraw/zinc/65/36/94/379653694.db2.gz XVRXIXMZBXRPLX-OAHLLOKOSA-N 0 3 274.364 2.910 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2)s1 ZINC000267189065 190309756 /nfs/dbraw/zinc/30/97/56/190309756.db2.gz LXLILVXNRMWEEU-ZDUSSCGKSA-N 0 3 283.400 2.988 20 30 CFEDHN COCCCOC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000172840047 379656461 /nfs/dbraw/zinc/65/64/61/379656461.db2.gz VRSKOYUKCYSTEY-UHFFFAOYSA-N 0 3 288.391 2.576 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000173435774 379738650 /nfs/dbraw/zinc/73/86/50/379738650.db2.gz QJRMDVCLFSFPJU-LBPRGKRZSA-N 0 3 279.405 2.721 20 30 CFEDHN CC1(C)CCC[C@@H]1CCNCc1cnc2c(C#N)cnn2c1 ZINC000529638237 383740019 /nfs/dbraw/zinc/74/00/19/383740019.db2.gz JIIBROYUTAVSCE-OAHLLOKOSA-N 0 3 297.406 2.907 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267401979 190327048 /nfs/dbraw/zinc/32/70/48/190327048.db2.gz JJAMAMQUBSPQOY-RDJZCZTQSA-N 0 3 286.419 2.979 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000335724371 379786964 /nfs/dbraw/zinc/78/69/64/379786964.db2.gz IYCDCWKSAJGRJW-JOYOIKCWSA-N 0 3 276.311 2.704 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)o1)N1CCCCC1 ZINC000174239582 379848236 /nfs/dbraw/zinc/84/82/36/379848236.db2.gz HPVBHFCRMBPAIW-UHFFFAOYSA-N 0 3 261.369 2.505 20 30 CFEDHN C=CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242883 379850547 /nfs/dbraw/zinc/85/05/47/379850547.db2.gz JJGGLWDBIMNOMI-UHFFFAOYSA-N 0 3 262.309 2.624 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000335773743 379865590 /nfs/dbraw/zinc/86/55/90/379865590.db2.gz FFPQQMQMWOLPPU-KBPBESRZSA-N 0 3 274.339 2.556 20 30 CFEDHN COc1ccc(O[C@@H](C)CNCc2ccc(C#N)o2)cc1 ZINC000174604737 379917601 /nfs/dbraw/zinc/91/76/01/379917601.db2.gz RYNLBPFJTFMHKJ-LBPRGKRZSA-N 0 3 286.331 2.717 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1cccc(OC)c1 ZINC000174647092 379922717 /nfs/dbraw/zinc/92/27/17/379922717.db2.gz QOAIRZQPXFTCNG-UHFFFAOYSA-N 0 3 274.364 2.698 20 30 CFEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)CN1C ZINC000334798085 379925588 /nfs/dbraw/zinc/92/55/88/379925588.db2.gz UMWGLNVNPKVYGG-GJZGRUSLSA-N 0 3 263.429 2.875 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000335810619 379926851 /nfs/dbraw/zinc/92/68/51/379926851.db2.gz NKSWPIINUQJKSC-GZMMTYOYSA-N 0 3 264.325 2.638 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000174442105 379888253 /nfs/dbraw/zinc/88/82/53/379888253.db2.gz JUPFXMDGVFORMT-IUODEOHRSA-N 0 3 286.379 2.505 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000335815169 379934935 /nfs/dbraw/zinc/93/49/35/379934935.db2.gz QVQPOITWOJPQQA-CQSZACIVSA-N 0 3 293.455 2.714 20 30 CFEDHN C#Cc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000174784537 379939372 /nfs/dbraw/zinc/93/93/72/379939372.db2.gz PJEDRWMCDMIRBJ-XJKSGUPXSA-N 0 3 285.391 2.614 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000335827453 379954869 /nfs/dbraw/zinc/95/48/69/379954869.db2.gz KWPAAXLQYJEANS-RKDXNWHRSA-N 0 3 252.264 2.644 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000335154357 379984290 /nfs/dbraw/zinc/98/42/90/379984290.db2.gz AUUFCPAOGLVZTG-FZMZJTMJSA-N 0 3 258.321 2.518 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1ccccc1C#N ZINC000267906727 190362134 /nfs/dbraw/zinc/36/21/34/190362134.db2.gz BLLWHGXOPDLVSF-UHFFFAOYSA-N 0 3 274.364 2.770 20 30 CFEDHN CC[S@@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000175864465 380145104 /nfs/dbraw/zinc/14/51/04/380145104.db2.gz UCHKJPVJWCVVQB-TWOQFEAHSA-N 0 3 290.432 2.728 20 30 CFEDHN CCc1nnc(NC2CCN(C3CC3)CC2)c(C#N)c1CC ZINC000268120141 190378187 /nfs/dbraw/zinc/37/81/87/190378187.db2.gz BKNPKHLHTXENFX-UHFFFAOYSA-N 0 3 299.422 2.512 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268257436 190390159 /nfs/dbraw/zinc/39/01/59/190390159.db2.gz WKBJRAQALHEFHJ-HZPDHXFCSA-N 0 3 276.355 2.823 20 30 CFEDHN CC(C)CC[C@@](C)(O)CNCc1ccc(C#N)s1 ZINC000176974457 380288780 /nfs/dbraw/zinc/28/87/80/380288780.db2.gz KUUPAQXGDZDWBP-CQSZACIVSA-N 0 3 266.410 2.897 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000336496013 380364364 /nfs/dbraw/zinc/36/43/64/380364364.db2.gz NTIBEIJTOKFHGU-AWEZNQCLSA-N 0 3 270.311 2.588 20 30 CFEDHN CC(C#N)C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000336396969 380338779 /nfs/dbraw/zinc/33/87/79/380338779.db2.gz WMFBQDVKFRQSGQ-MOKVOYLWSA-N 0 3 278.396 2.732 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@H]32)c(F)c1 ZINC000336528460 380418706 /nfs/dbraw/zinc/41/87/06/380418706.db2.gz HKBPYXVUALZTBF-GDBMZVCRSA-N 0 3 274.339 2.698 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CO)CC1 ZINC000336594257 380518994 /nfs/dbraw/zinc/51/89/94/380518994.db2.gz HTDGHADUJSUZDL-UONOGXRCSA-N 0 3 258.365 2.714 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]([C@@H]3CCOC3)C2)c1F ZINC000336615407 380552134 /nfs/dbraw/zinc/55/21/34/380552134.db2.gz GTYMPXYJPROCCA-DZGCQCFKSA-N 0 3 274.339 2.556 20 30 CFEDHN Cc1cccc(C(C)(C)NCCC(=O)N(C)CCC#N)c1 ZINC000179596190 380562872 /nfs/dbraw/zinc/56/28/72/380562872.db2.gz AXLIKDFEBIMMAZ-UHFFFAOYSA-N 0 3 287.407 2.582 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000529694969 383747368 /nfs/dbraw/zinc/74/73/68/383747368.db2.gz RSHZXBTUZFBSBF-VIFPVBQESA-N 0 3 273.361 2.807 20 30 CFEDHN CCC(CC)(CNCc1cc(C#N)cs1)OC ZINC000336690940 380595096 /nfs/dbraw/zinc/59/50/96/380595096.db2.gz HKHXCGMOCVHNPV-UHFFFAOYSA-N 0 3 252.383 2.915 20 30 CFEDHN CC(C)NC(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000180512817 380669517 /nfs/dbraw/zinc/66/95/17/380669517.db2.gz POYQAFYNNAPPCX-SECBINFHSA-N 0 3 292.289 2.563 20 30 CFEDHN C(=N/OC1CCCC1)\c1ccc(N2CCOCC2)cc1 ZINC000180610732 380681631 /nfs/dbraw/zinc/68/16/31/380681631.db2.gz LIBQDPJCRPZYAG-GHRIWEEISA-N 0 3 274.364 2.816 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN1C1CCCC1 ZINC000636238170 383748294 /nfs/dbraw/zinc/74/82/94/383748294.db2.gz UIDLICFOOLREKB-XHSDSOJGSA-N 0 3 274.408 2.713 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000181108901 380741053 /nfs/dbraw/zinc/74/10/53/380741053.db2.gz QNZBSDFGYYAUFS-RRFJBIMHSA-N 0 3 281.444 2.855 20 30 CFEDHN CO[C@H]1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000341253649 380866289 /nfs/dbraw/zinc/86/62/89/380866289.db2.gz DBWWNXNKBHNNRK-HIFRSBDPSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccccc1C#N ZINC000347012222 380877475 /nfs/dbraw/zinc/87/74/75/380877475.db2.gz VLHMZSUKWMFRBN-WWGRRREGSA-N 0 3 258.365 2.540 20 30 CFEDHN CCNC(=O)C(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358437072 380846319 /nfs/dbraw/zinc/84/63/19/380846319.db2.gz DNSQSJVYHAEPNZ-LLVKDONJSA-N 0 3 291.370 2.510 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCCC[C@@H]2C)CCC1 ZINC000358490824 380879275 /nfs/dbraw/zinc/87/92/75/380879275.db2.gz ILCXDDCQGNLFAU-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(C#N)cc1C ZINC000287602680 380881303 /nfs/dbraw/zinc/88/13/03/380881303.db2.gz YKGKPYWYBJALSZ-UHFFFAOYSA-N 0 3 299.418 2.815 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(C)nn(-c2ccccc2)c1C ZINC000341266405 380883791 /nfs/dbraw/zinc/88/37/91/380883791.db2.gz IOGCQGKGOPOWJX-INIZCTEOSA-N 0 3 299.418 2.763 20 30 CFEDHN CN(CCNCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000403995615 380897820 /nfs/dbraw/zinc/89/78/20/380897820.db2.gz GDMLXQVRFLHUOC-UHFFFAOYSA-N 0 3 297.377 2.919 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000295500886 380897794 /nfs/dbraw/zinc/89/77/94/380897794.db2.gz SMRASCHHQPDBBU-OLZOCXBDSA-N 0 3 272.392 2.905 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CCCCO1 ZINC000404085247 380899408 /nfs/dbraw/zinc/89/94/08/380899408.db2.gz QZUJYZDHGHFWKE-ABAIWWIYSA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000404252412 380902596 /nfs/dbraw/zinc/90/25/96/380902596.db2.gz LEPKMLBFHNGYPZ-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000295531939 380919869 /nfs/dbraw/zinc/91/98/69/380919869.db2.gz NLAVGWDAQMLYQU-HUUCEWRRSA-N 0 3 272.392 2.760 20 30 CFEDHN C[C@H](NCCCO[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566090 380931803 /nfs/dbraw/zinc/93/18/03/380931803.db2.gz IDJRRWKAWICTMX-JSGCOSHPSA-N 0 3 292.354 2.544 20 30 CFEDHN C[C@@]1(NCc2cc(C#N)ccc2F)CCO[C@@H]1C1CC1 ZINC000368189233 380952499 /nfs/dbraw/zinc/95/24/99/380952499.db2.gz PHXQSAWESDMPNQ-HZPDHXFCSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@H](N[C@@H](C)[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000358567017 380933901 /nfs/dbraw/zinc/93/39/01/380933901.db2.gz ISYHPDGKLBLKJG-ZIBATOQPSA-N 0 3 262.328 2.915 20 30 CFEDHN CCN1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358567075 380935183 /nfs/dbraw/zinc/93/51/83/380935183.db2.gz JAIRQAIAKKESJQ-TZMCWYRMSA-N 0 3 275.371 2.832 20 30 CFEDHN COC(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358569253 380936225 /nfs/dbraw/zinc/93/62/25/380936225.db2.gz LWFRYXTXDIZOIS-JTQLQIEISA-N 0 3 250.317 2.773 20 30 CFEDHN C=CCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000288235541 381009573 /nfs/dbraw/zinc/00/95/73/381009573.db2.gz SVEQHFZJFAAEQF-GDBMZVCRSA-N 0 3 289.423 2.895 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCC=C(C)C)CC1 ZINC000295678445 381011092 /nfs/dbraw/zinc/01/10/92/381011092.db2.gz SMOXPTATPVTNJR-HNNXBMFYSA-N 0 3 276.424 2.583 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCCC(=O)OC(C)(C)C ZINC000411288800 381020090 /nfs/dbraw/zinc/02/00/90/381020090.db2.gz FFBSPRYNKKPWLR-LBPRGKRZSA-N 0 3 254.374 2.732 20 30 CFEDHN C[C@@H](O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411256095 381021561 /nfs/dbraw/zinc/02/15/61/381021561.db2.gz HZBQOECQCAXERD-CQSZACIVSA-N 0 3 264.413 2.943 20 30 CFEDHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)CCC#N)c1 ZINC000411443368 381029425 /nfs/dbraw/zinc/02/94/25/381029425.db2.gz IIBDLEQXLWEYBR-VXGBXAGGSA-N 0 3 259.353 2.988 20 30 CFEDHN Cc1nn(C(C)C)cc1CNCCOc1ccc(C#N)cc1 ZINC000341414631 381004383 /nfs/dbraw/zinc/00/43/83/381004383.db2.gz ZZOCGJGNZDHUTK-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CCO2)CC1 ZINC000368521044 381054224 /nfs/dbraw/zinc/05/42/24/381054224.db2.gz BBSOHCGSEUQEDP-CYBMUJFWSA-N 0 3 256.349 2.874 20 30 CFEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCC1 ZINC000358754922 381058188 /nfs/dbraw/zinc/05/81/88/381058188.db2.gz SAZWHGPMVPPFRH-CQSZACIVSA-N 0 3 264.413 2.533 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)cc1 ZINC000182324107 381063573 /nfs/dbraw/zinc/06/35/73/381063573.db2.gz JJKAWLXAYDAADX-HUUCEWRRSA-N 0 3 287.407 2.654 20 30 CFEDHN C[C@H]1CCSCCN1CCOc1cccc(C#N)c1 ZINC000279328345 194387715 /nfs/dbraw/zinc/38/77/15/194387715.db2.gz SYDAGDOTCSPGNV-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000411547300 381032365 /nfs/dbraw/zinc/03/23/65/381032365.db2.gz VLNFFLLZQOPRMT-AWEZNQCLSA-N 0 3 290.382 2.887 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000411554481 381032665 /nfs/dbraw/zinc/03/26/65/381032665.db2.gz QRVCYRPDXRNWBG-KGLIPLIRSA-N 0 3 266.385 2.732 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000354041508 381040261 /nfs/dbraw/zinc/04/02/61/381040261.db2.gz AVUPOMCMSHYBBM-CQSZACIVSA-N 0 3 266.429 2.779 20 30 CFEDHN Cc1nn(C(C)C)cc1CNCCc1cccc(C#N)c1 ZINC000341487553 381043263 /nfs/dbraw/zinc/04/32/63/381043263.db2.gz OLYHAUKDGVKZGY-UHFFFAOYSA-N 0 3 282.391 2.976 20 30 CFEDHN Cc1cccc2c1OC[C@H](NCc1cccc(C#N)c1)C2 ZINC000289663419 381092239 /nfs/dbraw/zinc/09/22/39/381092239.db2.gz RCMKVFJUSMATKK-QGZVFWFLSA-N 0 3 278.355 2.960 20 30 CFEDHN COC1([C@H](C)NCc2cccc(C#N)c2F)CCC1 ZINC000412019727 381092929 /nfs/dbraw/zinc/09/29/29/381092929.db2.gz FXXKVDJTYOARJX-NSHDSACASA-N 0 3 262.328 2.745 20 30 CFEDHN CN(Cc1ccc(O)cc1)Cc1ccc(C#N)cc1 ZINC000354133025 381099835 /nfs/dbraw/zinc/09/98/35/381099835.db2.gz YWXBKFGDOVKJMD-UHFFFAOYSA-N 0 3 252.317 2.896 20 30 CFEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000289729114 381123684 /nfs/dbraw/zinc/12/36/84/381123684.db2.gz KAGSXKUBQGUXMY-YPMHNXCESA-N 0 3 271.307 2.876 20 30 CFEDHN C#C[C@H](NCc1c[nH]nc1-c1ccccc1F)C(C)C ZINC000289685909 381102868 /nfs/dbraw/zinc/10/28/68/381102868.db2.gz ZVNUVPYEPGSPEH-HNNXBMFYSA-N 0 3 271.339 2.963 20 30 CFEDHN C#C[C@H](NCc1ccc(-n2cccn2)cc1)C(C)C ZINC000289685913 381104565 /nfs/dbraw/zinc/10/45/65/381104565.db2.gz ZVOPRASQCMMKTA-INIZCTEOSA-N 0 3 253.349 2.620 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H](O)C(C)(C)C ZINC000289707644 381113096 /nfs/dbraw/zinc/11/30/96/381113096.db2.gz FNSFOYHJZAIZAO-AWEZNQCLSA-N 0 3 251.370 2.717 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000412071167 381140206 /nfs/dbraw/zinc/14/02/06/381140206.db2.gz OXIZJZUFAOWRDC-KRWDZBQOSA-N 0 3 286.375 2.642 20 30 CFEDHN CCCN(CCN1CCCCC1)Cc1ccc(C#N)o1 ZINC000289797823 381163457 /nfs/dbraw/zinc/16/34/57/381163457.db2.gz SIQWFAVVCOENAT-UHFFFAOYSA-N 0 3 275.396 2.849 20 30 CFEDHN CC#CCCNCc1cn(C)nc1-c1cccs1 ZINC000354191207 381130650 /nfs/dbraw/zinc/13/06/50/381130650.db2.gz SWKWDPXUGJQHJP-UHFFFAOYSA-N 0 3 259.378 2.652 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000182876066 381176868 /nfs/dbraw/zinc/17/68/68/381176868.db2.gz OUARPKZBYFWGAN-HNNXBMFYSA-N 0 3 287.407 2.716 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000354278227 381179470 /nfs/dbraw/zinc/17/94/70/381179470.db2.gz SAQDYQBVZAUMJY-SNPRPXQTSA-N 0 3 286.375 2.646 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](C)Cc1cnccn1 ZINC000341711643 381184112 /nfs/dbraw/zinc/18/41/12/381184112.db2.gz PETIHQZTBYUFRP-AWEZNQCLSA-N 0 3 283.375 2.762 20 30 CFEDHN N#CC1(C(=O)N2CCC[C@@H](N3CCCCC3)C2)CCCC1 ZINC000369094862 381193671 /nfs/dbraw/zinc/19/36/71/381193671.db2.gz CXPSMNLXSQYJBO-OAHLLOKOSA-N 0 3 289.423 2.547 20 30 CFEDHN N#CC1(C(=O)N2CCC[C@H](N3CCCCC3)C2)CCCC1 ZINC000369094861 381193884 /nfs/dbraw/zinc/19/38/84/381193884.db2.gz CXPSMNLXSQYJBO-HNNXBMFYSA-N 0 3 289.423 2.547 20 30 CFEDHN CC(C#N)C(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000354320909 381200898 /nfs/dbraw/zinc/20/08/98/381200898.db2.gz VGEOHSWXXBGKGL-AWEZNQCLSA-N 0 3 286.375 2.649 20 30 CFEDHN C=CC[C@@H]1N(C[C@H]2CCCS(=O)(=O)C2)CCCC1(C)C ZINC000342169004 381218742 /nfs/dbraw/zinc/21/87/42/381218742.db2.gz OYKFZWPIFIBQJU-CABCVRRESA-N 0 3 299.480 2.878 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000342066363 381208453 /nfs/dbraw/zinc/20/84/53/381208453.db2.gz ZPGFCJZQVFSMAM-RRFJBIMHSA-N 0 3 266.429 2.968 20 30 CFEDHN N#Cc1c(CN2CCCCC[C@@H]2CCO)cn2ccccc12 ZINC000342040499 381208944 /nfs/dbraw/zinc/20/89/44/381208944.db2.gz XAGIGLQKHCZYLL-MRXNPFEDSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCCCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000354262233 381169687 /nfs/dbraw/zinc/16/96/87/381169687.db2.gz AIPDCHSYHPVRMX-OAHLLOKOSA-N 0 3 264.413 2.866 20 30 CFEDHN C[C@H](N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(C#N)s1 ZINC000183301583 381252478 /nfs/dbraw/zinc/25/24/78/381252478.db2.gz LVSLBGWYIVKMPJ-FSBGKCOPSA-N 0 3 284.384 2.929 20 30 CFEDHN COc1cccc(C2(CNCc3ccc(C#N)o3)CC2)c1 ZINC000290006019 381256749 /nfs/dbraw/zinc/25/67/49/381256749.db2.gz YOJMBAMEZCCBQR-UHFFFAOYSA-N 0 3 282.343 2.981 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(Cl)c(Br)c1 ZINC000290006318 381256823 /nfs/dbraw/zinc/25/68/23/381256823.db2.gz YQPYPLCZHAZDRO-VIFPVBQESA-N 0 3 290.588 2.739 20 30 CFEDHN C=CCN(CCc1cn[nH]c1)Cc1ccc(OC)cc1 ZINC000290021791 381265736 /nfs/dbraw/zinc/26/57/36/381265736.db2.gz MTLZJORMICQYMH-UHFFFAOYSA-N 0 3 271.364 2.649 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCN1c1ccnc(C#N)c1 ZINC000342212720 381220292 /nfs/dbraw/zinc/22/02/92/381220292.db2.gz VYCYGVWMKUJQKB-HNNXBMFYSA-N 0 3 292.386 2.664 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H]1C(F)F ZINC000342228070 381223708 /nfs/dbraw/zinc/22/37/08/381223708.db2.gz PLINXSSMQRDPIC-VXGBXAGGSA-N 0 3 253.292 2.995 20 30 CFEDHN C[C@H](N[C@@H](CO)CC1CCC1)c1ccc(C#N)cc1F ZINC000359033466 381226187 /nfs/dbraw/zinc/22/61/87/381226187.db2.gz GFZAYIWNBJCAIH-SMDDNHRTSA-N 0 3 276.355 2.899 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)cc1 ZINC000289949688 381229317 /nfs/dbraw/zinc/22/93/17/381229317.db2.gz WJNNFVQSABJZDI-JOYOIKCWSA-N 0 3 270.170 2.647 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(C#N)cc1 ZINC000369328211 381237673 /nfs/dbraw/zinc/23/76/73/381237673.db2.gz ZPWYQKWVQCMRLW-VDNDLQMASA-N 0 3 297.402 2.608 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@@H]2CCC[C@H]2O)cc1OC ZINC000289966357 381240438 /nfs/dbraw/zinc/24/04/38/381240438.db2.gz ZGUIXGYOOJTGIN-HUUCEWRRSA-N 0 3 291.391 2.605 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCc2ccc(Br)cc21 ZINC000289971646 381241667 /nfs/dbraw/zinc/24/16/67/381241667.db2.gz XMOIJRYHLPFFPR-YPMHNXCESA-N 0 3 282.181 2.573 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)s1 ZINC000289986092 381248849 /nfs/dbraw/zinc/24/88/49/381248849.db2.gz XFNOMSRGKVNGSC-DLBZAZTESA-N 0 3 298.411 2.876 20 30 CFEDHN N#CC(C(=O)c1cccc(-n2cccc2)c1)c1ccncn1 ZINC000354460707 381286727 /nfs/dbraw/zinc/28/67/27/381286727.db2.gz FORYAARQESWSBQ-HNNXBMFYSA-N 0 3 288.310 2.757 20 30 CFEDHN Cc1cccc([C@H](C)N2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000369608951 381297203 /nfs/dbraw/zinc/29/72/03/381297203.db2.gz KOIXIIURGGWOKJ-AWEZNQCLSA-N 0 3 295.390 2.856 20 30 CFEDHN CC[C@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000369826181 381338827 /nfs/dbraw/zinc/33/88/27/381338827.db2.gz QYZCKXZRDJVNQP-AWEZNQCLSA-N 0 3 282.347 2.983 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000290225104 381350333 /nfs/dbraw/zinc/35/03/33/381350333.db2.gz SCNOZHGMORAXGF-CQSZACIVSA-N 0 3 276.336 2.741 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000342479675 381352182 /nfs/dbraw/zinc/35/21/82/381352182.db2.gz UCJCWVPONODOLN-FUHWJXTLSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCCCC[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000290282714 381370471 /nfs/dbraw/zinc/37/04/71/381370471.db2.gz MGRLPXJMDABTAI-CQSZACIVSA-N 0 3 256.353 2.840 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2s1 ZINC000184366121 381407154 /nfs/dbraw/zinc/40/71/54/381407154.db2.gz YFQAUOXZTCUAID-NWDGAFQWSA-N 0 3 286.400 2.690 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@H](COC)C1 ZINC000342580146 381410888 /nfs/dbraw/zinc/41/08/88/381410888.db2.gz ISBLTSWQHGYVSP-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCCc2nc(Cl)ccc21 ZINC000296487887 381417393 /nfs/dbraw/zinc/41/73/93/381417393.db2.gz PMDKPFVMRUEURQ-PWSUYJOCSA-N 0 3 266.772 2.639 20 30 CFEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H](O)C(F)F ZINC000296493898 381420174 /nfs/dbraw/zinc/42/01/74/381420174.db2.gz OTUOLRWUHIMDFB-TVYUQYBPSA-N 0 3 268.307 2.613 20 30 CFEDHN C=CCCCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290554429 381478153 /nfs/dbraw/zinc/47/81/53/381478153.db2.gz PAWFVSRGANHYMV-OAHLLOKOSA-N 0 3 278.371 2.901 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H](CC)[C@@H](O)C(F)F)cc1 ZINC000296564387 381452380 /nfs/dbraw/zinc/45/23/80/381452380.db2.gz SLQZSEQIXKVAMS-TUKIKUTGSA-N 0 3 297.345 2.754 20 30 CFEDHN C=CCOCCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000348044959 381456980 /nfs/dbraw/zinc/45/69/80/381456980.db2.gz CDUKEFAJWVQGIY-KBPBESRZSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000348057124 381459144 /nfs/dbraw/zinc/45/91/44/381459144.db2.gz SFXHAJDMYOEDCP-LBPRGKRZSA-N 0 3 264.325 2.838 20 30 CFEDHN C=C(CC)CN(C)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348109749 381462820 /nfs/dbraw/zinc/46/28/20/381462820.db2.gz VAYDAGNLIQGSKV-KGLIPLIRSA-N 0 3 297.443 2.954 20 30 CFEDHN C=CCN(CCOC)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000348168541 381468065 /nfs/dbraw/zinc/46/80/65/381468065.db2.gz MPJGATCAYNPGPY-IBGZPJMESA-N 0 3 299.414 2.878 20 30 CFEDHN C[C@H](O)CCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000354897061 381512272 /nfs/dbraw/zinc/51/22/72/381512272.db2.gz RUXYFAMOFGRNGV-AWEZNQCLSA-N 0 3 288.391 2.562 20 30 CFEDHN C=CCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000370917435 381512836 /nfs/dbraw/zinc/51/28/36/381512836.db2.gz NDPIHDHBXXZIBI-RDJZCZTQSA-N 0 3 272.392 2.687 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000342749283 381515528 /nfs/dbraw/zinc/51/55/28/381515528.db2.gz YSFHQFYSJKVXMF-IJEWVQPXSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000342716342 381495056 /nfs/dbraw/zinc/49/50/56/381495056.db2.gz CPVXWNDGXVVESV-UHFFFAOYSA-N 0 3 286.828 2.868 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000290612758 381497238 /nfs/dbraw/zinc/49/72/38/381497238.db2.gz IASBSEUWUOZLBR-NSHDSACASA-N 0 3 267.394 2.971 20 30 CFEDHN CCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348371865 381537810 /nfs/dbraw/zinc/53/78/10/381537810.db2.gz YFBGRKPLRKBKLV-MRXNPFEDSA-N 0 3 295.386 2.937 20 30 CFEDHN CC1(C)CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348400593 381552221 /nfs/dbraw/zinc/55/22/21/381552221.db2.gz OHZJAMCKTRBKCS-CVEARBPZSA-N 0 3 295.386 2.935 20 30 CFEDHN CC1(C)CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348400605 381552314 /nfs/dbraw/zinc/55/23/14/381552314.db2.gz OHZJAMCKTRBKCS-JKSUJKDBSA-N 0 3 295.386 2.935 20 30 CFEDHN CC1(C)C[C@@H](NCc2cnc3ccc(C#N)cn23)C(C)(C)O1 ZINC000342796997 381547560 /nfs/dbraw/zinc/54/75/60/381547560.db2.gz MOGIPRDTLTXQAS-CQSZACIVSA-N 0 3 298.390 2.642 20 30 CFEDHN C=C(C)COc1cc(CNc2nccn2C)ccc1OC ZINC000414292300 381576294 /nfs/dbraw/zinc/57/62/94/381576294.db2.gz BYRJTEIBBQPFPT-UHFFFAOYSA-N 0 3 287.363 2.996 20 30 CFEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CCCO1 ZINC000342810090 381558654 /nfs/dbraw/zinc/55/86/54/381558654.db2.gz OLCSXSVPDQNTKQ-SWLSCSKDSA-N 0 3 256.349 2.704 20 30 CFEDHN Cc1cc2ncc([C@@H](C)NCC(C)(C)CC#N)c(C)n2n1 ZINC000414169355 381566864 /nfs/dbraw/zinc/56/68/64/381566864.db2.gz RPHFELLVIYRWGK-GFCCVEGCSA-N 0 3 285.395 2.937 20 30 CFEDHN Cc1nc(N[C@H]2CCN3CCCC[C@H]23)c(Cl)cc1C#N ZINC000290926795 381599406 /nfs/dbraw/zinc/59/94/06/381599406.db2.gz INAZHODYNJGHPO-UONOGXRCSA-N 0 3 290.798 2.954 20 30 CFEDHN CC(C)(C)c1ncc(CNCCc2cccc(C#N)c2)cn1 ZINC000342855576 381586821 /nfs/dbraw/zinc/58/68/21/381586821.db2.gz WZQVARCSTINXOY-UHFFFAOYSA-N 0 3 294.402 2.978 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1n[nH]cc1C ZINC000414536623 381593346 /nfs/dbraw/zinc/59/33/46/381593346.db2.gz NKCHQZKPQIXKSM-HNNXBMFYSA-N 0 3 255.365 2.995 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](CO)[C@@H]2C)cc1 ZINC000414564340 381594788 /nfs/dbraw/zinc/59/47/88/381594788.db2.gz DJSIGYORNOKWLG-HOCLYGCPSA-N 0 3 275.392 2.844 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCCC23CCOCC3)c1 ZINC000371415522 381620803 /nfs/dbraw/zinc/62/08/03/381620803.db2.gz QDQWXXSNMJGAMU-UHFFFAOYSA-N 0 3 274.339 2.842 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1OC ZINC000348562450 381637821 /nfs/dbraw/zinc/63/78/21/381637821.db2.gz ZGUIXGYOOJTGIN-GJZGRUSLSA-N 0 3 291.391 2.605 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1F ZINC000355128060 381630777 /nfs/dbraw/zinc/63/07/77/381630777.db2.gz GZNXSMUNZOUWFA-NUEKZKHPSA-N 0 3 286.350 2.745 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cccc(CC#N)c1 ZINC000185428757 381630862 /nfs/dbraw/zinc/63/08/62/381630862.db2.gz JMNLTGFNLUAFEW-HNNXBMFYSA-N 0 3 299.418 2.747 20 30 CFEDHN CC(C)(CO)[C@@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC000291013375 381633316 /nfs/dbraw/zinc/63/33/16/381633316.db2.gz WZMCCRJMRPCXKV-HNNXBMFYSA-N 0 3 276.355 2.584 20 30 CFEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 ZINC000298494662 381649429 /nfs/dbraw/zinc/64/94/29/381649429.db2.gz YSZMANYLFKAFFV-UHFFFAOYSA-N 0 3 299.418 2.829 20 30 CFEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298486813 381646254 /nfs/dbraw/zinc/64/62/54/381646254.db2.gz WPDFAPJWHMIZRH-RHSMWYFYSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298486828 381646295 /nfs/dbraw/zinc/64/62/95/381646295.db2.gz WPDFAPJWHMIZRH-WMLDXEAASA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCc1cc(CN(CC)C[C@@H](C)OC)cc(OC)c1O ZINC000291103043 381667744 /nfs/dbraw/zinc/66/77/44/381667744.db2.gz RPHAGFXMPRXCSA-CYBMUJFWSA-N 0 3 293.407 2.986 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291233731 381717603 /nfs/dbraw/zinc/71/76/03/381717603.db2.gz KPNNTTNFOZRZFE-QGZVFWFLSA-N 0 3 295.386 2.732 20 30 CFEDHN CC#CCCN1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000291154490 381687245 /nfs/dbraw/zinc/68/72/45/381687245.db2.gz LJYCJDNIAGCWPR-GOSISDBHSA-N 0 3 287.403 2.854 20 30 CFEDHN CC[C@H]1[C@H](C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000185651871 381693969 /nfs/dbraw/zinc/69/39/69/381693969.db2.gz ZEGLJEIZHVFLCB-DOMZBBRYSA-N 0 3 271.364 2.617 20 30 CFEDHN CCN(Cc1ccc(F)c(C#N)c1)C[C@@H](C)OC ZINC000291311060 381744947 /nfs/dbraw/zinc/74/49/47/381744947.db2.gz SZAFYGCJIFXPRN-LLVKDONJSA-N 0 3 250.317 2.554 20 30 CFEDHN C=C(C)[C@H](NCCCCO)c1ccc(F)c(F)c1 ZINC000298813341 381755531 /nfs/dbraw/zinc/75/55/31/381755531.db2.gz ATKAAHKCGOZSCT-AWEZNQCLSA-N 0 3 255.308 2.944 20 30 CFEDHN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000355281967 381723495 /nfs/dbraw/zinc/72/34/95/381723495.db2.gz YBAGAEDGWBWZPG-NQBHXWOUSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000343538796 381782502 /nfs/dbraw/zinc/78/25/02/381782502.db2.gz VZTVLYPHWCMVAD-MELADBBJSA-N 0 3 252.402 2.720 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000355606985 381785563 /nfs/dbraw/zinc/78/55/63/381785563.db2.gz YUSMTZJJVMMULZ-UONOGXRCSA-N 0 3 293.411 2.974 20 30 CFEDHN Cn1ccnc1[C@@H](NCCc1cccc(C#N)c1)C1CC1 ZINC000343549009 381790692 /nfs/dbraw/zinc/79/06/92/381790692.db2.gz KXBSIJGYIUAUPD-INIZCTEOSA-N 0 3 280.375 2.575 20 30 CFEDHN CN(CCN1CCCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000355678346 381793514 /nfs/dbraw/zinc/79/35/14/381793514.db2.gz TVKSPNFLVNDUEU-UHFFFAOYSA-N 0 3 299.418 2.656 20 30 CFEDHN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000186008676 381800805 /nfs/dbraw/zinc/80/08/05/381800805.db2.gz KEUKLIKSBUGIEN-INIZCTEOSA-N 0 3 286.419 2.817 20 30 CFEDHN Cc1ccnc(NC[C@@H](C)N2CCCC[C@H]2C)c1C#N ZINC000343512953 381763483 /nfs/dbraw/zinc/76/34/83/381763483.db2.gz PMVFBSLHNKGENF-ZIAGYGMSSA-N 0 3 272.396 2.937 20 30 CFEDHN COc1ccc([C@H](CCO)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185875669 381764977 /nfs/dbraw/zinc/76/49/77/381764977.db2.gz CCAMJGLZCQKWRL-LXZKKBNFSA-N 0 3 288.391 2.791 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000360148186 381769146 /nfs/dbraw/zinc/76/91/46/381769146.db2.gz LCYPDNVVICYOFF-GJZGRUSLSA-N 0 3 292.423 2.731 20 30 CFEDHN Cc1c(Cl)cnc(NCCN2CCCC[C@H]2C)c1C#N ZINC000343532921 381778437 /nfs/dbraw/zinc/77/84/37/381778437.db2.gz QARJSZKUPMOCOC-LLVKDONJSA-N 0 3 292.814 2.623 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@@H]2CCCOC2)cc1 ZINC000355743978 381801027 /nfs/dbraw/zinc/80/10/27/381801027.db2.gz NYQNOTVJLORLAV-OAHLLOKOSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCC[C@@H](CC)C2)C1=O ZINC000343597733 381828036 /nfs/dbraw/zinc/82/80/36/381828036.db2.gz DKOZEUAERSQYHH-OAGGEKHMSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CCC)CCC1 ZINC000343615108 381844948 /nfs/dbraw/zinc/84/49/48/381844948.db2.gz CMFYOQIOFLAULR-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)CC1CCC1 ZINC000361484489 381836990 /nfs/dbraw/zinc/83/69/90/381836990.db2.gz JOUDGLTVDHFARK-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C(C)(C)C)C1 ZINC000361543680 381841454 /nfs/dbraw/zinc/84/14/54/381841454.db2.gz PIZMLAWJLYYISZ-HNNXBMFYSA-N 0 3 278.440 2.945 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](C(C)(C)C)C1 ZINC000361547120 381842519 /nfs/dbraw/zinc/84/25/19/381842519.db2.gz DUGVQEMGBPOMAP-KBPBESRZSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCN(CC(=C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343567800 381803026 /nfs/dbraw/zinc/80/30/26/381803026.db2.gz MUEHRBRBKPDEHW-AWEZNQCLSA-N 0 3 283.379 2.787 20 30 CFEDHN N#Cc1ccc(N2CCCN(Cc3ccco3)CC2)cc1 ZINC000372391116 381804248 /nfs/dbraw/zinc/80/42/48/381804248.db2.gz CKVDUCWCBLBQJH-UHFFFAOYSA-N 0 3 281.359 2.864 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(CC1CC1)CC1CCC1 ZINC000361564252 381843612 /nfs/dbraw/zinc/84/36/12/381843612.db2.gz INSGVDXXIGSOMF-KRWDZBQOSA-N 0 3 291.439 2.553 20 30 CFEDHN CCN(C[C@H](O)COC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299068815 381813959 /nfs/dbraw/zinc/81/39/59/381813959.db2.gz AXSBKTGSHGJLBP-YOEHRIQHSA-N 0 3 290.407 2.727 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000372854639 381880912 /nfs/dbraw/zinc/88/09/12/381880912.db2.gz DCPUDTXAYWOKAD-MSOLQXFVSA-N 0 3 298.430 2.969 20 30 CFEDHN CN(C)[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 ZINC000416170359 381881886 /nfs/dbraw/zinc/88/18/86/381881886.db2.gz JYGZNTQDNPRZMN-HUUCEWRRSA-N 0 3 287.407 2.734 20 30 CFEDHN C=C(CC)CNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416247832 381883510 /nfs/dbraw/zinc/88/35/10/381883510.db2.gz PSVLHLLQXIUHNV-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN C=CC[C@H](CC)NC(=O)CCN1CCc2ccccc2C1 ZINC000416229629 381883847 /nfs/dbraw/zinc/88/38/47/381883847.db2.gz VPBKLCXDGYSXBF-KRWDZBQOSA-N 0 3 286.419 2.906 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1C[C@H](N2CCCC2)C[C@H]1C ZINC000343617961 381846734 /nfs/dbraw/zinc/84/67/34/381846734.db2.gz BFILCQDZDVQZEB-CZUORRHYSA-N 0 3 297.402 2.824 20 30 CFEDHN N#CCc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000343617759 381847043 /nfs/dbraw/zinc/84/70/43/381847043.db2.gz SXYDYXJGBCUFCD-GOSISDBHSA-N 0 3 293.370 2.801 20 30 CFEDHN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)C(C)C#N ZINC000416269276 381885888 /nfs/dbraw/zinc/88/58/88/381885888.db2.gz CQEXDRKLWUNPQD-OCCSQVGLSA-N 0 3 294.395 2.554 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000343630023 381853220 /nfs/dbraw/zinc/85/32/20/381853220.db2.gz ZSXXQOVCSMGXSD-IIAWOOMASA-N 0 3 266.429 2.968 20 30 CFEDHN CC(C)[C@@H](NCc1ccccc1C#N)C1(CO)CCC1 ZINC000292826306 381853630 /nfs/dbraw/zinc/85/36/30/381853630.db2.gz QPMHIEOJQACFDV-MRXNPFEDSA-N 0 3 272.392 2.835 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@H](O)C23CCCC3)c1 ZINC000292831364 381856066 /nfs/dbraw/zinc/85/60/66/381856066.db2.gz UEXBNVOSWBKSGH-HNNXBMFYSA-N 0 3 274.339 2.577 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(CCC)CCc1cccs1 ZINC000299186719 381856668 /nfs/dbraw/zinc/85/66/68/381856668.db2.gz BYIHUVNDQDGMCA-CYBMUJFWSA-N 0 3 280.437 2.693 20 30 CFEDHN N#CCCCN1CCCN(Cc2ccccc2F)CC1 ZINC000361693735 381856945 /nfs/dbraw/zinc/85/69/45/381856945.db2.gz IQQKHDINDJIQCT-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN C=CCOCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000361789434 381863016 /nfs/dbraw/zinc/86/30/16/381863016.db2.gz WHENORKTOQITDO-UHFFFAOYSA-N 0 3 296.455 2.548 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@]2(CO)Cc2ccccc2)o1 ZINC000372757698 381863672 /nfs/dbraw/zinc/86/36/72/381863672.db2.gz MXKPCQZKEHVKRS-GOSISDBHSA-N 0 3 296.370 2.721 20 30 CFEDHN C=CC[C@H](C)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415963419 381871135 /nfs/dbraw/zinc/87/11/35/381871135.db2.gz VMKVEBAJLMPQSC-JTQLQIEISA-N 0 3 277.343 2.558 20 30 CFEDHN C=CCCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415979381 381872940 /nfs/dbraw/zinc/87/29/40/381872940.db2.gz WUXZKAQNEMRUPL-UHFFFAOYSA-N 0 3 291.370 2.949 20 30 CFEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NCCC#N ZINC000299254752 381873035 /nfs/dbraw/zinc/87/30/35/381873035.db2.gz JWOUHXKLTZMUQD-INIZCTEOSA-N 0 3 259.397 2.646 20 30 CFEDHN C[C@@H](NCC1(CO)CCCC1)c1ccc(C#N)cc1F ZINC000349343856 381899246 /nfs/dbraw/zinc/89/92/46/381899246.db2.gz QVYDQPSJFJNQKS-GFCCVEGCSA-N 0 3 276.355 2.901 20 30 CFEDHN CCCN(CC(=O)Nc1sccc1C#N)CC(C)C ZINC000299361112 381910919 /nfs/dbraw/zinc/91/09/19/381910919.db2.gz DANRTWZRXWNETI-UHFFFAOYSA-N 0 3 279.409 2.926 20 30 CFEDHN C=CCc1cc(CNC[C@H](OC)C2CC2)cc(OC)c1O ZINC000292936615 381911085 /nfs/dbraw/zinc/91/10/85/381911085.db2.gz HNIWDHGOQYDOHH-INIZCTEOSA-N 0 3 291.391 2.644 20 30 CFEDHN CCOC1(CNCc2cccc(C#N)c2)CCCC1 ZINC000292971981 381928784 /nfs/dbraw/zinc/92/87/84/381928784.db2.gz MKMSHRLLUCJXMW-UHFFFAOYSA-N 0 3 258.365 2.997 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1 ZINC000373249510 381959962 /nfs/dbraw/zinc/95/99/62/381959962.db2.gz IVDACVSJNVAWHN-KRWDZBQOSA-N 0 3 265.360 2.702 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC(C)(C)CC=C)CC1 ZINC000293058105 381970216 /nfs/dbraw/zinc/97/02/16/381970216.db2.gz MWAHDJCKIYZEID-UHFFFAOYSA-N 0 3 279.428 2.538 20 30 CFEDHN CC#CCCN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000373294251 381971198 /nfs/dbraw/zinc/97/11/98/381971198.db2.gz XKBQJQRCFDVHJM-UHFFFAOYSA-N 0 3 295.386 2.886 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC12CCC2 ZINC000373181452 381943269 /nfs/dbraw/zinc/94/32/69/381943269.db2.gz TVLJQYDYZIKTQK-CJNGLKHVSA-N 0 3 298.386 2.894 20 30 CFEDHN C[C@@H]1CCC[C@H](CN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000356985899 381943534 /nfs/dbraw/zinc/94/35/34/381943534.db2.gz XTCMNITTWHZRCV-WBVHZDCISA-N 0 3 298.434 2.902 20 30 CFEDHN N#Cc1ccc(CN(CCCO)Cc2ccccc2)cc1 ZINC000299442555 381943999 /nfs/dbraw/zinc/94/39/99/381943999.db2.gz XEAMQNKOGZODTO-UHFFFAOYSA-N 0 3 280.371 2.943 20 30 CFEDHN C=CCC(C)(C)CNCc1c(Br)cnn1C ZINC000293006106 381946447 /nfs/dbraw/zinc/94/64/47/381946447.db2.gz PIIMAWPGIAOKBG-UHFFFAOYSA-N 0 3 286.217 2.875 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCCOC)C(C)C ZINC000299451043 381948913 /nfs/dbraw/zinc/94/89/13/381948913.db2.gz OBJALTICGQASKG-MRXNPFEDSA-N 0 3 296.455 2.618 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)cc1 ZINC000343873676 381996751 /nfs/dbraw/zinc/99/67/51/381996751.db2.gz MRCCQCLRXYUOEW-UHFFFAOYSA-N 0 3 274.364 2.722 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)C1CCN(CC)CC1 ZINC000362302165 381999222 /nfs/dbraw/zinc/99/92/22/381999222.db2.gz WVZQQWLRVFJSJU-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)N(CCO)Cc1cccc(OCCCC#N)c1 ZINC000350081442 382005371 /nfs/dbraw/zinc/00/53/71/382005371.db2.gz XXEJNXCTZUWLNE-UHFFFAOYSA-N 0 3 276.380 2.572 20 30 CFEDHN CN(CCCC(C)(C)C#N)CC(=O)NCc1ccccc1 ZINC000350124703 382006923 /nfs/dbraw/zinc/00/69/23/382006923.db2.gz MLIHVHGCQQIXNM-UHFFFAOYSA-N 0 3 287.407 2.565 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343901764 382011385 /nfs/dbraw/zinc/01/13/85/382011385.db2.gz BCZBWNSAMGZSHH-IHRRRGAJSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCN1CCC(Nc2nccc(C(C)(C)C)n2)CC1 ZINC000293083957 381982901 /nfs/dbraw/zinc/98/29/01/381982901.db2.gz OCSNTWJXBLXNOA-UHFFFAOYSA-N 0 3 274.412 2.836 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000186690503 381985124 /nfs/dbraw/zinc/98/51/24/381985124.db2.gz IHNDWUPPWMWDKF-RISCZKNCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(CNCc1cnn(CC(F)F)c1)c1ccccc1 ZINC000293088653 381985375 /nfs/dbraw/zinc/98/53/75/381985375.db2.gz VNMIOJJRYZALQS-UHFFFAOYSA-N 0 3 277.318 2.951 20 30 CFEDHN CC(C)[C@@]1(CO)CCCN(CC#Cc2ccccc2)C1 ZINC000293244682 382045483 /nfs/dbraw/zinc/04/54/83/382045483.db2.gz ZDGZMKMJSUBMIN-SFHVURJKSA-N 0 3 271.404 2.769 20 30 CFEDHN N#Cc1ccc(CNCCc2ccn(-c3ccccc3)n2)o1 ZINC000343984057 382048559 /nfs/dbraw/zinc/04/85/59/382048559.db2.gz MBXLZCAZRBIILP-UHFFFAOYSA-N 0 3 292.342 2.669 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000351615226 382048723 /nfs/dbraw/zinc/04/87/23/382048723.db2.gz LKVFKHLJNOOTHT-OAHLLOKOSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000351683945 382055676 /nfs/dbraw/zinc/05/56/76/382055676.db2.gz GLXNDOKNPIHKPI-LSDHHAIUSA-N 0 3 281.444 2.905 20 30 CFEDHN C#CCN[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000374829753 382057608 /nfs/dbraw/zinc/05/76/08/382057608.db2.gz PDOSSLLODVWEBY-HZPDHXFCSA-N 0 3 278.346 2.711 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(C)(CC(C)C)CC1 ZINC000343999257 382059188 /nfs/dbraw/zinc/05/91/88/382059188.db2.gz VZFAIXVVCRCEHO-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000375048816 382065590 /nfs/dbraw/zinc/06/55/90/382065590.db2.gz JSTLVQHUFRBIKD-ABAIWWIYSA-N 0 3 275.783 2.742 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cccc(C#N)c1C ZINC000357131018 382020260 /nfs/dbraw/zinc/02/02/60/382020260.db2.gz UNKWGFNXEKKJGS-GFCCVEGCSA-N 0 3 273.380 2.972 20 30 CFEDHN CCCN1CCC[C@H]1CNc1c(C#N)cccc1C#N ZINC000343920450 382020972 /nfs/dbraw/zinc/02/09/72/382020972.db2.gz SPABHQNUUMLQQN-HNNXBMFYSA-N 0 3 268.364 2.716 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000343925063 382022717 /nfs/dbraw/zinc/02/27/17/382022717.db2.gz NMSLJLATGUYYSN-CQSZACIVSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)[C@H](NCC#Cc1ccc(F)cc1)C1(CO)CCC1 ZINC000293193511 382026605 /nfs/dbraw/zinc/02/66/05/382026605.db2.gz WOADEPQPQQUBRO-KRWDZBQOSA-N 0 3 289.394 2.954 20 30 CFEDHN CN(C)[C@H](CNc1ccnc(C#N)c1)c1cccs1 ZINC000299706605 382031906 /nfs/dbraw/zinc/03/19/06/382031906.db2.gz ZRHZMVBHFWEOSI-CYBMUJFWSA-N 0 3 272.377 2.730 20 30 CFEDHN C[C@H](CCC#N)N1CCC(c2nnc3ccccn32)CC1 ZINC000351424647 382038358 /nfs/dbraw/zinc/03/83/58/382038358.db2.gz WTBVGBYELRSIEE-CYBMUJFWSA-N 0 3 283.379 2.601 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@](C)(CC)C1 ZINC000362384887 382040086 /nfs/dbraw/zinc/04/00/86/382040086.db2.gz NGZLULZYFWUUAB-MRXNPFEDSA-N 0 3 264.413 2.699 20 30 CFEDHN C=CCCCN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000376204098 382125848 /nfs/dbraw/zinc/12/58/48/382125848.db2.gz WGNRCARMOARRAC-UHFFFAOYSA-N 0 3 264.413 2.820 20 30 CFEDHN C[C@H](NCCNC(=O)CC1CCCC1)c1cccc(C#N)c1 ZINC000344094015 382125829 /nfs/dbraw/zinc/12/58/29/382125829.db2.gz GGIIMTLWPWNKJA-AWEZNQCLSA-N 0 3 299.418 2.905 20 30 CFEDHN CCC(CC)N(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000344031084 382079398 /nfs/dbraw/zinc/07/93/98/382079398.db2.gz PCJUBFHTKIBCJQ-CYBMUJFWSA-N 0 3 267.417 2.505 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000362463194 382084462 /nfs/dbraw/zinc/08/44/62/382084462.db2.gz GBUNUULWZQIHES-ONGXEEELSA-N 0 3 270.254 2.608 20 30 CFEDHN C#CCCCC(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000375442018 382087067 /nfs/dbraw/zinc/08/70/67/382087067.db2.gz YPSXCNKEIVSHEQ-SFHVURJKSA-N 0 3 298.430 2.613 20 30 CFEDHN CC1CCN(CCNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000301132510 382089914 /nfs/dbraw/zinc/08/99/14/382089914.db2.gz WWWBJSXHGWTVPN-UHFFFAOYSA-N 0 3 298.434 2.976 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCCN(c3ccccc3)CC2)C1 ZINC000293367584 382096019 /nfs/dbraw/zinc/09/60/19/382096019.db2.gz FLCMTGUUKSEWJI-WBVHZDCISA-N 0 3 269.392 2.891 20 30 CFEDHN C=CCC(F)(F)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000293449873 382127399 /nfs/dbraw/zinc/12/73/99/382127399.db2.gz KLGRDZLEOCUQLD-CYBMUJFWSA-N 0 3 296.361 2.835 20 30 CFEDHN C#CCCOc1ccc(CN2CCC23CCOCC3)cc1 ZINC000375735231 382100777 /nfs/dbraw/zinc/10/07/77/382100777.db2.gz YGHCZGBJUUTWQW-UHFFFAOYSA-N 0 3 285.387 2.844 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)CCc1cccnc1 ZINC000344063506 382101364 /nfs/dbraw/zinc/10/13/64/382101364.db2.gz CVIONSMOAIEZSW-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H](N)c1ccccc1CC ZINC000418258095 382139740 /nfs/dbraw/zinc/13/97/40/382139740.db2.gz FLTPDFXIMVJLQQ-HNNXBMFYSA-N 0 3 275.396 2.514 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344127883 382147930 /nfs/dbraw/zinc/14/79/30/382147930.db2.gz XADPDAWTSUAUAG-HOCLYGCPSA-N 0 3 276.424 2.698 20 30 CFEDHN C[C@@H]1CC[C@H](CN(C)CCOCc2ccc(C#N)cc2)O1 ZINC000344132822 382149587 /nfs/dbraw/zinc/14/95/87/382149587.db2.gz XGYAMMDTZYNKRP-RHSMWYFYSA-N 0 3 288.391 2.574 20 30 CFEDHN C=CCOCCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000293529167 382160464 /nfs/dbraw/zinc/16/04/64/382160464.db2.gz PHHXAIPZIGTRHR-UHFFFAOYSA-N 0 3 292.398 2.536 20 30 CFEDHN CC(C)(C)[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000344220980 382207466 /nfs/dbraw/zinc/20/74/66/382207466.db2.gz RSPCQIYLAMJVNL-INIZCTEOSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCN(C[C@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000357532807 382210833 /nfs/dbraw/zinc/21/08/33/382210833.db2.gz VZFPXHLEVCAMHK-AWEZNQCLSA-N 0 3 281.783 2.730 20 30 CFEDHN C[C@H](Cc1cccc(O)c1)NCc1ccc(C#N)o1 ZINC000344225134 382210986 /nfs/dbraw/zinc/21/09/86/382210986.db2.gz RSYYLGFGENLKTH-LLVKDONJSA-N 0 3 256.305 2.578 20 30 CFEDHN C=CCN(CCCOc1ccc2c(c1)OCO2)C1CC1 ZINC000357531937 382211095 /nfs/dbraw/zinc/21/10/95/382211095.db2.gz SHACJNCRDNZINA-UHFFFAOYSA-N 0 3 275.348 2.835 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@](C)(CC)C1 ZINC000344225808 382212181 /nfs/dbraw/zinc/21/21/81/382212181.db2.gz YNZCILOCBWJHIE-GOEBONIOSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@](C)(CC)C1 ZINC000344225805 382212245 /nfs/dbraw/zinc/21/22/45/382212245.db2.gz YNZCILOCBWJHIE-GDBMZVCRSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCOCCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000293661703 382221022 /nfs/dbraw/zinc/22/10/22/382221022.db2.gz YSCTWRUEBKVPTI-UHFFFAOYSA-N 0 3 288.391 2.540 20 30 CFEDHN N#Cc1ccc(CNc2nc3ccc(F)cc3[nH]2)c(F)c1 ZINC000362647166 382186611 /nfs/dbraw/zinc/18/66/11/382186611.db2.gz CQZATGOVSFGPOB-UHFFFAOYSA-N 0 3 284.269 2.747 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000293701167 382240322 /nfs/dbraw/zinc/24/03/22/382240322.db2.gz QBLVXPCHGDHGIP-ZDUSSCGKSA-N 0 3 296.361 2.835 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000363814382 382247345 /nfs/dbraw/zinc/24/73/45/382247345.db2.gz GXBUTAXRWRJUQT-IEBWSBKVSA-N 0 3 298.430 2.914 20 30 CFEDHN COC(=O)[C@]1(C)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000187708327 382252807 /nfs/dbraw/zinc/25/28/07/382252807.db2.gz CNVNYOUVHWPVLC-MLGOLLRUSA-N 0 3 272.348 2.504 20 30 CFEDHN CCC[C@H](CNCc1ccc(C#N)cc1F)OC ZINC000293731368 382254551 /nfs/dbraw/zinc/25/45/51/382254551.db2.gz RJKOZLLQDXEORR-CYBMUJFWSA-N 0 3 250.317 2.602 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CC(=O)N(C)C)CC1 ZINC000187720203 382256331 /nfs/dbraw/zinc/25/63/31/382256331.db2.gz BJXAXBLBIRKRGM-AWEZNQCLSA-N 0 3 299.418 2.810 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@@H]2CCCO[C@H]21 ZINC000344293823 382256679 /nfs/dbraw/zinc/25/66/79/382256679.db2.gz RISHTMIEUYVKGE-NUEKZKHPSA-N 0 3 288.366 2.991 20 30 CFEDHN CC(C)=CCC[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419254500 382261604 /nfs/dbraw/zinc/26/16/04/382261604.db2.gz FRDZRTBNSITXJA-XJKSGUPXSA-N 0 3 285.391 2.809 20 30 CFEDHN Oc1ccc2ccccc2c1/C=N/CCN1CCCOCC1 ZINC000187741835 382261755 /nfs/dbraw/zinc/26/17/55/382261755.db2.gz ZBRBHEYRDPSCFS-XMHGGMMESA-N 0 3 298.386 2.687 20 30 CFEDHN N#Cc1cccc(CN2CCOCC3(CCCC3)C2)c1 ZINC000364325763 382307868 /nfs/dbraw/zinc/30/78/68/382307868.db2.gz DLEATZYXXLMZPH-UHFFFAOYSA-N 0 3 270.376 2.951 20 30 CFEDHN Cc1ncccc1OC[C@H]1CCCN1CCCC#N ZINC000419385887 382308960 /nfs/dbraw/zinc/30/89/60/382308960.db2.gz HVDYZQGSZODUDH-CQSZACIVSA-N 0 3 259.353 2.537 20 30 CFEDHN CCN(CCCN1CCCC1)c1snc(Cl)c1C#N ZINC000302775974 382314976 /nfs/dbraw/zinc/31/49/76/382314976.db2.gz OPIMJFNGGTXRHP-UHFFFAOYSA-N 0 3 298.843 2.980 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@H]1C(F)F ZINC000345803737 382315013 /nfs/dbraw/zinc/31/50/13/382315013.db2.gz KWQHBQQHWZXWDP-XQQFMLRXSA-N 0 3 278.302 2.529 20 30 CFEDHN CCCC[C@@H](C)N(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000352413668 382317979 /nfs/dbraw/zinc/31/79/79/382317979.db2.gz BGWLKPHZWVEZNA-ZIAGYGMSSA-N 0 3 267.417 2.505 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000345886325 382319551 /nfs/dbraw/zinc/31/95/51/382319551.db2.gz NFSGOLYSWBVIHL-VIFPVBQESA-N 0 3 282.265 2.970 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188011751 382324959 /nfs/dbraw/zinc/32/49/59/382324959.db2.gz FEWPNLSBQHKCJH-GUYCJALGSA-N 0 3 288.391 2.550 20 30 CFEDHN CC(C)(C#N)CCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352437885 382332955 /nfs/dbraw/zinc/33/29/55/382332955.db2.gz DUDSQBYBEHJDLO-ZIAGYGMSSA-N 0 3 262.397 2.960 20 30 CFEDHN C=CCCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000346264714 382339873 /nfs/dbraw/zinc/33/98/73/382339873.db2.gz OFALSFDFQCXYRH-ARFHVFGLSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OCCCCC)cc1 ZINC000352454817 382341492 /nfs/dbraw/zinc/34/14/92/382341492.db2.gz WBKVRYOLVHLQMR-OAHLLOKOSA-N 0 3 263.381 2.892 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)CC#Cc2ccc(F)cc2)C1 ZINC000187916557 382296508 /nfs/dbraw/zinc/29/65/08/382296508.db2.gz BONDHTJUKCWKJO-RHSMWYFYSA-N 0 3 275.367 2.660 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419360278 382297958 /nfs/dbraw/zinc/29/79/58/382297958.db2.gz SCWAYTFWRUTQHL-LBPRGKRZSA-N 0 3 258.365 2.517 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(-c2ccccc2OC)cc1 ZINC000352472876 382351234 /nfs/dbraw/zinc/35/12/34/382351234.db2.gz LNBSGMQRQWIQLO-MRXNPFEDSA-N 0 3 283.371 2.999 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC1CC(c2ccccc2)C1 ZINC000293962869 382355730 /nfs/dbraw/zinc/35/57/30/382355730.db2.gz LFGRJGOEBSAXHA-UHFFFAOYSA-N 0 3 298.430 2.642 20 30 CFEDHN CN(CCN1CCC(F)(C#N)CC1)Cc1ccc(F)cc1 ZINC000352484819 382358531 /nfs/dbraw/zinc/35/85/31/382358531.db2.gz ULZMODRLBHABRJ-UHFFFAOYSA-N 0 3 293.361 2.585 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCN(C(C)C)CC1 ZINC000352493808 382363701 /nfs/dbraw/zinc/36/37/01/382363701.db2.gz VNJYJWIABYCYLB-OAHLLOKOSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000680485269 542330708 /nfs/dbraw/zinc/33/07/08/542330708.db2.gz XIKQABZUYBZJLW-LBPRGKRZSA-N 0 3 289.297 2.654 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cccs1 ZINC000346585771 382425720 /nfs/dbraw/zinc/42/57/20/382425720.db2.gz VTZPEVXLONFJGI-RYUDHWBXSA-N 0 3 291.420 2.740 20 30 CFEDHN Cc1nc([C@H]2CCCN(CCCC(C)(C)C#N)C2)no1 ZINC000365716796 382432882 /nfs/dbraw/zinc/43/28/82/382432882.db2.gz DRGCOCJZAKZQEJ-ZDUSSCGKSA-N 0 3 276.384 2.887 20 30 CFEDHN OCC1(NCC#Cc2cccc(Cl)c2)CCCC1 ZINC000305248523 382438773 /nfs/dbraw/zinc/43/87/73/382438773.db2.gz UIRZUCHRGUWVKC-UHFFFAOYSA-N 0 3 263.768 2.586 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000358084251 382444291 /nfs/dbraw/zinc/44/42/91/382444291.db2.gz DSYDUUUFWAVBSG-LDYMZIIASA-N 0 3 297.280 2.622 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC000420591473 382416209 /nfs/dbraw/zinc/41/62/09/382416209.db2.gz YKBRLIZBCGLYTP-ZFWWWQNUSA-N 0 3 293.374 2.596 20 30 CFEDHN C=CCC(F)(F)C(=O)Nc1cccc(CN(C)C)c1 ZINC000294111524 382419672 /nfs/dbraw/zinc/41/96/72/382419672.db2.gz PEHUCTYBRWXBCJ-UHFFFAOYSA-N 0 3 268.307 2.898 20 30 CFEDHN C#Cc1ccc(CN2CCC(OC3CCOCC3)CC2)cc1 ZINC000365930700 382458891 /nfs/dbraw/zinc/45/88/91/382458891.db2.gz ROXSKMNDVWWJLA-UHFFFAOYSA-N 0 3 299.414 2.828 20 30 CFEDHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1cccc(C#N)c1 ZINC000378453101 382464968 /nfs/dbraw/zinc/46/49/68/382464968.db2.gz NLRIIPDAGYQEAN-CZUORRHYSA-N 0 3 286.375 2.895 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cncs1 ZINC000358167174 382481007 /nfs/dbraw/zinc/48/10/07/382481007.db2.gz ANEMYELHUPOGKI-NSHDSACASA-N 0 3 273.361 2.744 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC(=C)c2ccccc2)CC1 ZINC000352916171 382483522 /nfs/dbraw/zinc/48/35/22/382483522.db2.gz SNULKGAANTXTDI-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1ccc(OC)c(C#N)c1)OC ZINC000294273195 382489527 /nfs/dbraw/zinc/48/95/27/382489527.db2.gz RYJBBALDIUOZGA-WBMJQRKESA-N 0 3 276.380 2.718 20 30 CFEDHN C=C(C)CN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547096 382527168 /nfs/dbraw/zinc/52/71/68/382527168.db2.gz XJSJXTZOCKFOSW-UONOGXRCSA-N 0 3 280.412 2.894 20 30 CFEDHN C[C@@H]1C[C@@H](CO)CN(CC#Cc2ccc(Cl)cc2)C1 ZINC000420948955 382501091 /nfs/dbraw/zinc/50/10/91/382501091.db2.gz UYHWSWYAWXRDPR-UKRRQHHQSA-N 0 3 277.795 2.642 20 30 CFEDHN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](CC)O1 ZINC000420957715 382501369 /nfs/dbraw/zinc/50/13/69/382501369.db2.gz OQMJNVOMNMWVNF-IYBDPMFKSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@@H]1CC[C@H](O)CN1CCC1(C#N)CCCCC1 ZINC000421017832 382505598 /nfs/dbraw/zinc/50/55/98/382505598.db2.gz MCRCTHBYJQEXSN-KGLIPLIRSA-N 0 3 250.386 2.696 20 30 CFEDHN COc1cc(CN2CCC[C@@H](CCO)CC2)ccc1C#N ZINC000421401250 382518263 /nfs/dbraw/zinc/51/82/63/382518263.db2.gz UBAVJAWGZJNSJJ-CQSZACIVSA-N 0 3 288.391 2.551 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1cc(F)ccc1F ZINC000294888532 382540003 /nfs/dbraw/zinc/54/00/03/382540003.db2.gz DUOMXGYRYACEOM-GFCCVEGCSA-N 0 3 266.335 2.571 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000346852836 382546143 /nfs/dbraw/zinc/54/61/43/382546143.db2.gz QSYBPMHJZJZWHU-KBPBESRZSA-N 0 3 272.396 2.937 20 30 CFEDHN C=CCN1CCC(NC(=O)c2csc(Cl)c2)CC1 ZINC000189254791 382576646 /nfs/dbraw/zinc/57/66/46/382576646.db2.gz MXAKUKJRCFRIPA-UHFFFAOYSA-N 0 3 284.812 2.782 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1ccco1 ZINC000367589974 382576883 /nfs/dbraw/zinc/57/68/83/382576883.db2.gz RSWOFGOXFZURSJ-XHSDSOJGSA-N 0 3 290.407 2.740 20 30 CFEDHN CCCOc1ccc(C(C)(C)NC(=O)C(C)C#N)cc1 ZINC000358332558 382572090 /nfs/dbraw/zinc/57/20/90/382572090.db2.gz DOIULIKUPVDEKH-GFCCVEGCSA-N 0 3 274.364 2.986 20 30 CFEDHN C#CCN(C)CCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000295092726 382574402 /nfs/dbraw/zinc/57/44/02/382574402.db2.gz UYULPXZHFCUZRK-INIZCTEOSA-N 0 3 290.382 2.584 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccccc1Br ZINC000320308112 382537203 /nfs/dbraw/zinc/53/72/03/382537203.db2.gz UUWXUMNXOHKMPX-GFCCVEGCSA-N 0 3 284.197 2.866 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1F ZINC000320250618 382537276 /nfs/dbraw/zinc/53/72/76/382537276.db2.gz IDAVDWMLYPJPFB-RYUDHWBXSA-N 0 3 267.344 2.812 20 30 CFEDHN C=CCC[C@H](CO)NCc1c(C)nn(-c2ccccc2)c1C ZINC000320348800 382537387 /nfs/dbraw/zinc/53/73/87/382537387.db2.gz FALPXHAZMVFKIY-MRXNPFEDSA-N 0 3 299.418 2.906 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccccc1Br ZINC000320308113 382537465 /nfs/dbraw/zinc/53/74/65/382537465.db2.gz UUWXUMNXOHKMPX-LBPRGKRZSA-N 0 3 284.197 2.866 20 30 CFEDHN N#Cc1cccc(CN[C@H](CO)C2CCCCC2)c1F ZINC000386284307 382586548 /nfs/dbraw/zinc/58/65/48/382586548.db2.gz RPFARCPYOFVUDO-OAHLLOKOSA-N 0 3 276.355 2.728 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@@H]1C ZINC000358405315 382602148 /nfs/dbraw/zinc/60/21/48/382602148.db2.gz YTQNTWWESVNKID-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN CO[C@H]([C@H](C)NCc1cc(C#N)cs1)C1CC1 ZINC000388259227 382604007 /nfs/dbraw/zinc/60/40/07/382604007.db2.gz CKDZUVMPRLUVAT-TVQRCGJNSA-N 0 3 250.367 2.523 20 30 CFEDHN Cc1cnccc1CCN(C)Cc1cccc(C#N)c1 ZINC000397516451 382633770 /nfs/dbraw/zinc/63/37/70/382633770.db2.gz BAUBEDIGLXODQN-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN C[C@@]1(CNCCC#N)CCCN1Cc1ccccc1 ZINC000397995419 382635046 /nfs/dbraw/zinc/63/50/46/382635046.db2.gz RKQFGOWNTQMGON-INIZCTEOSA-N 0 3 257.381 2.544 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](C)COC ZINC000189802059 382641294 /nfs/dbraw/zinc/64/12/94/382641294.db2.gz GHNMFZLSNIICLQ-CQSZACIVSA-N 0 3 258.365 2.829 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000189866733 382643364 /nfs/dbraw/zinc/64/33/64/382643364.db2.gz NKNYJHHVDVDKLE-BBRMVZONSA-N 0 3 286.375 2.704 20 30 CFEDHN C[C@H]1CSCCN(Cc2ccc(C#N)s2)C1 ZINC000190844973 382682307 /nfs/dbraw/zinc/68/23/07/382682307.db2.gz XWUYUEAKOBDSIZ-SNVBAGLBSA-N 0 3 252.408 2.805 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000191131443 382692173 /nfs/dbraw/zinc/69/21/73/382692173.db2.gz KLFJPGLQFNNENZ-ZBFHGGJFSA-N 0 3 266.429 2.825 20 30 CFEDHN CCSCC[C@@H](C)N(C)Cc1cc(C#N)n(C)c1 ZINC000191434298 382700253 /nfs/dbraw/zinc/70/02/53/382700253.db2.gz ZRPPURHDTFSSPS-GFCCVEGCSA-N 0 3 265.426 2.860 20 30 CFEDHN C[C@@H](CN(C)Cc1cc(C#N)n(C)c1)c1nccs1 ZINC000191476975 382700887 /nfs/dbraw/zinc/70/08/87/382700887.db2.gz VPCXTHKCFQLNOD-NSHDSACASA-N 0 3 274.393 2.589 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OCC2CC2)cc1 ZINC000191593578 382701436 /nfs/dbraw/zinc/70/14/36/382701436.db2.gz XCZOUNLMIQIXEX-OAHLLOKOSA-N 0 3 261.365 2.502 20 30 CFEDHN COC(=O)CCN(CC#Cc1ccccc1)CC(C)C ZINC000191973779 382703857 /nfs/dbraw/zinc/70/38/57/382703857.db2.gz PRCCWMGSRRDVEG-UHFFFAOYSA-N 0 3 273.376 2.559 20 30 CFEDHN C=CCCCN(C)[C@H]1CCc2ccccc2NC1=O ZINC000192032488 382704358 /nfs/dbraw/zinc/70/43/58/382704358.db2.gz HKWTZRFKDBHBFB-HNNXBMFYSA-N 0 3 258.365 2.838 20 30 CFEDHN CC#CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192070236 382704709 /nfs/dbraw/zinc/70/47/09/382704709.db2.gz BOMPAQPKDCWYIE-KGLIPLIRSA-N 0 3 267.731 2.922 20 30 CFEDHN Cc1nccn1CCCN(C)CC#Cc1ccccc1 ZINC000192122479 382704870 /nfs/dbraw/zinc/70/48/70/382704870.db2.gz NSOZHDMUPDOMIJ-UHFFFAOYSA-N 0 3 267.376 2.565 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192148394 382705127 /nfs/dbraw/zinc/70/51/27/382705127.db2.gz MIJNJMPDFSNYSU-FUHWJXTLSA-N 0 3 298.430 2.959 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCS[C@H](C)CC1 ZINC000192181602 382705337 /nfs/dbraw/zinc/70/53/37/382705337.db2.gz NSHBCRCOGYKPGE-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@](O)(CN[C@H]1CCC[C@H](C#N)C1)c1cccs1 ZINC000192887727 382713402 /nfs/dbraw/zinc/71/34/02/382713402.db2.gz DAANZDCGFBWGHM-OBJOEFQTSA-N 0 3 264.394 2.628 20 30 CFEDHN C=CCCCCCN1CCN(C2CCOCC2)CC1 ZINC000193368580 382719297 /nfs/dbraw/zinc/71/92/97/382719297.db2.gz VLLIAMLLGSEPLJ-UHFFFAOYSA-N 0 3 266.429 2.529 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(C)CCCCc1ccccc1 ZINC000193438453 382719755 /nfs/dbraw/zinc/71/97/55/382719755.db2.gz WSMNNTVFMMXMJL-HNNXBMFYSA-N 0 3 274.408 2.632 20 30 CFEDHN C[C@@H]1CCC[C@@H](NCC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000194037832 382733800 /nfs/dbraw/zinc/73/38/00/382733800.db2.gz VLFJIQFWOUSJPC-NQBHXWOUSA-N 0 3 291.420 2.973 20 30 CFEDHN Cn1cc(CN[C@@H]2CCCN(c3ccccc3)C2)cc1C#N ZINC000191073718 382690216 /nfs/dbraw/zinc/69/02/16/382690216.db2.gz WDLQQUVFQFLUOV-MRXNPFEDSA-N 0 3 294.402 2.655 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@H](C)Cc2ccc(C)cc2)C1=O ZINC000337132184 382765585 /nfs/dbraw/zinc/76/55/85/382765585.db2.gz AIHAUDXYRLGSMC-NVXWUHKLSA-N 0 3 286.419 2.645 20 30 CFEDHN C[C@H]1N(CCCC2(C#N)CCOCC2)CCOC1(C)C ZINC000337147621 382768086 /nfs/dbraw/zinc/76/80/86/382768086.db2.gz GNCQUPWATBHIIL-CQSZACIVSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H](CC(C)C)C2)C1=O ZINC000337161974 382769729 /nfs/dbraw/zinc/76/97/29/382769729.db2.gz VDYMOFXSEKSZIR-GJZGRUSLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@](C)(CCC)C2)C1=O ZINC000337167319 382770235 /nfs/dbraw/zinc/77/02/35/382770235.db2.gz CJLMOUJVGOVALD-GOEBONIOSA-N 0 3 264.413 2.676 20 30 CFEDHN CC[C@]1(C)CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337206348 382776810 /nfs/dbraw/zinc/77/68/10/382776810.db2.gz MHQJQDSIYZNEAA-OAHLLOKOSA-N 0 3 280.412 2.588 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@@H]2CCC[C@H](C)C2)C1=O ZINC000337229357 382781129 /nfs/dbraw/zinc/78/11/29/382781129.db2.gz RTMHNYHXXGQMDV-JYJNAYRXSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCC[C@@H](C)C2)C1=O ZINC000337232918 382781656 /nfs/dbraw/zinc/78/16/56/382781656.db2.gz VYPFCLPWJPKCJK-ILXRZTDVSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1ccc(CN2CCN(C3CCC3)CC2)c(Cl)c1 ZINC000336901014 382739625 /nfs/dbraw/zinc/73/96/25/382739625.db2.gz SITOLZFNEGQLBD-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN C=CCCC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000337009580 382751611 /nfs/dbraw/zinc/75/16/11/382751611.db2.gz DXXUATZPYLHJAD-UHFFFAOYSA-N 0 3 288.435 2.976 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337279794 382792720 /nfs/dbraw/zinc/79/27/20/382792720.db2.gz GUPMFBMUANIVLS-OLZOCXBDSA-N 0 3 266.291 2.808 20 30 CFEDHN C#CCSCCNCc1ccc(OC)c(OC)c1Cl ZINC000219225513 382792890 /nfs/dbraw/zinc/79/28/90/382792890.db2.gz BYBVFVMUBLDIRM-UHFFFAOYSA-N 0 3 299.823 2.813 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@H](C)N1CCCCCC1 ZINC000337055156 382756443 /nfs/dbraw/zinc/75/64/43/382756443.db2.gz AWMDRPLIFAOESI-UONOGXRCSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCN(CCOCC(C)C)CCc1ccco1 ZINC000337328595 382802670 /nfs/dbraw/zinc/80/26/70/382802670.db2.gz YXABCISHMONQEC-UHFFFAOYSA-N 0 3 251.370 2.983 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337476914 382827622 /nfs/dbraw/zinc/82/76/22/382827622.db2.gz PGHYQYLGIRDIFP-KGLIPLIRSA-N 0 3 277.412 2.833 20 30 CFEDHN CCC[C@@H](CCO)CNCc1ccc(C#N)cc1F ZINC000227598393 382838107 /nfs/dbraw/zinc/83/81/07/382838107.db2.gz FUFXFWXWXUQMFS-LBPRGKRZSA-N 0 3 264.344 2.586 20 30 CFEDHN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCCC#N ZINC000493988396 382907987 /nfs/dbraw/zinc/90/79/87/382907987.db2.gz HKCPUHDDDOHNPF-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN COc1ccccc1SC[C@H](C)CNC(=O)C(C)C#N ZINC000347119433 532961547 /nfs/dbraw/zinc/96/15/47/532961547.db2.gz XALCXWUMFPVKOC-VXGBXAGGSA-N 0 3 292.404 2.699 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCC2)s1 ZINC000337816036 382868181 /nfs/dbraw/zinc/86/81/81/382868181.db2.gz OMVXUJGEIVHMMY-LBPRGKRZSA-N 0 3 264.394 2.651 20 30 CFEDHN CCCC[C@@H](C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000577802237 382870656 /nfs/dbraw/zinc/87/06/56/382870656.db2.gz MZXQUKGGIZQHIS-CQSZACIVSA-N 0 3 279.428 2.840 20 30 CFEDHN Cc1cccc2oc(CCN[C@@H]3CC[C@@H](C#N)C3)nc21 ZINC000577818795 382871710 /nfs/dbraw/zinc/87/17/10/382871710.db2.gz DIZFYSSZQZTUON-CHWSQXEVSA-N 0 3 269.348 2.961 20 30 CFEDHN COc1cc(CNCC2(SC)CC2)ccc1C#N ZINC000234906132 382875405 /nfs/dbraw/zinc/87/54/05/382875405.db2.gz OJNTXLZPAOKDAU-UHFFFAOYSA-N 0 3 262.378 2.552 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000440803974 382883879 /nfs/dbraw/zinc/88/38/79/382883879.db2.gz BGAJIOZVVVYUMY-DTWKUNHWSA-N 0 3 286.253 2.922 20 30 CFEDHN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](c1ccccc1)N(C)C ZINC000578065060 382887082 /nfs/dbraw/zinc/88/70/82/382887082.db2.gz CVBQZFNVIIRXAP-UXLLHSPISA-N 0 3 284.407 2.711 20 30 CFEDHN C=CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441036361 382892994 /nfs/dbraw/zinc/89/29/94/382892994.db2.gz FESVHDSYVJAHQC-UHFFFAOYSA-N 0 3 279.428 2.518 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000494411779 382912245 /nfs/dbraw/zinc/91/22/45/382912245.db2.gz ONZABKMLJCZIBE-ARFHVFGLSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C)[C@H](Cn1cccn1)NCc1ccc(C#N)s1 ZINC000421895068 382963717 /nfs/dbraw/zinc/96/37/17/382963717.db2.gz YJKHTJIRNFLYHO-AWEZNQCLSA-N 0 3 274.393 2.631 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C#N)cn2)C1 ZINC000578761654 382952111 /nfs/dbraw/zinc/95/21/11/382952111.db2.gz LRUVBYOXGDDVJQ-CXAGYDPISA-N 0 3 287.407 2.620 20 30 CFEDHN CN(C)Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000442771892 382953302 /nfs/dbraw/zinc/95/33/02/382953302.db2.gz UYAOYKIWURSRJI-IUODEOHRSA-N 0 3 275.371 2.669 20 30 CFEDHN N#CCC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000541023490 382964733 /nfs/dbraw/zinc/96/47/33/382964733.db2.gz AIILENXYDIFNCQ-UHFFFAOYSA-N 0 3 262.328 2.830 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@@H](C)CC[C@@H]2CC)CC1 ZINC000537913719 382958750 /nfs/dbraw/zinc/95/87/50/382958750.db2.gz YRHYVHBECANGML-HOCLYGCPSA-N 0 3 293.455 2.999 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442827834 382960334 /nfs/dbraw/zinc/96/03/34/382960334.db2.gz ORVFVCKGPBBVSE-BPUTZDHNSA-N 0 3 258.365 2.564 20 30 CFEDHN CN(C)CCOc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442854735 382961447 /nfs/dbraw/zinc/96/14/47/382961447.db2.gz LHLKIQCQKGZUOF-HIFRSBDPSA-N 0 3 273.380 2.731 20 30 CFEDHN C[C@@H]1C[C@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441429284 382914203 /nfs/dbraw/zinc/91/42/03/382914203.db2.gz OMGXSGRXBHKLDZ-NEPJUHHUSA-N 0 3 282.347 2.839 20 30 CFEDHN CC(C)(C#N)CC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000578366238 382914996 /nfs/dbraw/zinc/91/49/96/382914996.db2.gz SGPBULBRZUHATK-GOSISDBHSA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000338147346 382934019 /nfs/dbraw/zinc/93/40/19/382934019.db2.gz BGPHNNISKWQDJS-MRXNPFEDSA-N 0 3 297.402 2.567 20 30 CFEDHN N#CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000543782181 382973220 /nfs/dbraw/zinc/97/32/20/382973220.db2.gz XDQBNMZPRVNTFE-UHFFFAOYSA-N 0 3 299.353 2.532 20 30 CFEDHN C=CCCC[C@H](C)N1CCCN(C(=O)C2CC2)CC1 ZINC000444685136 382976748 /nfs/dbraw/zinc/97/67/48/382976748.db2.gz NOTYIKSOXGBGME-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@@H]1[C@H](C)N(CCCCC(C)(C)C#N)CCN1C ZINC000444687607 382978463 /nfs/dbraw/zinc/97/84/63/382978463.db2.gz GZGVKRNQUJMXML-KGLIPLIRSA-N 0 3 251.418 2.731 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444725795 382979279 /nfs/dbraw/zinc/97/92/79/382979279.db2.gz NXOGOYSDPZISSU-RYUDHWBXSA-N 0 3 292.345 2.952 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C(C)C)C1 ZINC000444764508 382980307 /nfs/dbraw/zinc/98/03/07/382980307.db2.gz BLYFLLHQKVLLOU-HOTGVXAUSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](C(C)C)C1 ZINC000444764510 382980474 /nfs/dbraw/zinc/98/04/74/382980474.db2.gz BLYFLLHQKVLLOU-JKSUJKDBSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N(C)CC)CCCC1(C)C ZINC000444784469 382982370 /nfs/dbraw/zinc/98/23/70/382982370.db2.gz NYLLJUFDVYJOPD-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H](F)C2)CC1 ZINC000579116229 382984664 /nfs/dbraw/zinc/98/46/64/382984664.db2.gz LRPWCISTYQBVSB-ZFWWWQNUSA-N 0 3 297.418 2.607 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cncc(Br)c1 ZINC000579129749 382987054 /nfs/dbraw/zinc/98/70/54/382987054.db2.gz JSUMMQHIXNOCTK-WDEREUQCSA-N 0 3 299.212 2.679 20 30 CFEDHN CCC1(CC)CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446737103 382990986 /nfs/dbraw/zinc/99/09/86/382990986.db2.gz YOGIOKOBMDXIEI-GOEBONIOSA-N 0 3 293.455 2.941 20 30 CFEDHN CCCOc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000446703345 382991548 /nfs/dbraw/zinc/99/15/48/382991548.db2.gz XRLDHXYGVCZHOP-LBPRGKRZSA-N 0 3 260.337 2.560 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000446678850 382991796 /nfs/dbraw/zinc/99/17/96/382991796.db2.gz VWIFLKHINULNJA-STQMWFEESA-N 0 3 271.364 2.624 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(CCCC#N)C1 ZINC000495715940 383017568 /nfs/dbraw/zinc/01/75/68/383017568.db2.gz IZGFSFBPTKYKST-OAHLLOKOSA-N 0 3 281.400 2.527 20 30 CFEDHN C=CCOCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495590668 382999162 /nfs/dbraw/zinc/99/91/62/382999162.db2.gz DIHXAGTUWOYQEQ-UONOGXRCSA-N 0 3 298.427 2.567 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000245464685 383001979 /nfs/dbraw/zinc/00/19/79/383001979.db2.gz YAKYNGOUGFJFEV-ZMSDIMECSA-N 0 3 293.455 2.941 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@H]1O ZINC000245557115 383006450 /nfs/dbraw/zinc/00/64/50/383006450.db2.gz UVAKUTLFJRCOIS-HZPDHXFCSA-N 0 3 258.365 2.541 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNc1c(C#N)cccc1C#N ZINC000447815863 383011438 /nfs/dbraw/zinc/01/14/38/383011438.db2.gz GQRGPTFXLVIJGX-OAHLLOKOSA-N 0 3 282.391 2.962 20 30 CFEDHN CN1CC[C@@H](NCc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245617750 383015048 /nfs/dbraw/zinc/01/50/48/383015048.db2.gz DIDDEHHZFLFIHV-IAGOWNOFSA-N 0 3 281.359 2.686 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000541393235 382965634 /nfs/dbraw/zinc/96/56/34/382965634.db2.gz MBPJUYSRNVXLQA-GOSISDBHSA-N 0 3 298.430 2.985 20 30 CFEDHN CCCCCC(=O)NC1CCN(CCCCC#N)CC1 ZINC000338726230 383030667 /nfs/dbraw/zinc/03/06/67/383030667.db2.gz GXFCEQLEEAEIKP-UHFFFAOYSA-N 0 3 279.428 2.841 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495870042 383037510 /nfs/dbraw/zinc/03/75/10/383037510.db2.gz AYFDNYLMYWVCLV-KGLIPLIRSA-N 0 3 295.427 2.915 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@H](F)C2)cc1 ZINC000580329785 383078452 /nfs/dbraw/zinc/07/84/52/383078452.db2.gz MYXQFVDXLHCNGZ-OWCLPIDISA-N 0 3 299.349 2.637 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000245877723 383042919 /nfs/dbraw/zinc/04/29/19/383042919.db2.gz ZNJWHEUCOHECML-BZUAXINKSA-N 0 3 291.439 2.649 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000245915793 383047737 /nfs/dbraw/zinc/04/77/37/383047737.db2.gz FMUKVYAOGITVFW-DOTOQJQBSA-N 0 3 273.351 2.678 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCCC[C@H]1O ZINC000245918293 383048197 /nfs/dbraw/zinc/04/81/97/383048197.db2.gz GQXSDWSECZJQJK-BXUZGUMPSA-N 0 3 264.394 2.603 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000448448241 383060657 /nfs/dbraw/zinc/06/06/57/383060657.db2.gz ZQVCLMJERLUSII-RISCZKNCSA-N 0 3 288.322 2.549 20 30 CFEDHN COc1ccc(C#N)cc1CN(CCO)[C@@H]1CC[C@H](C)C1 ZINC000448511552 383062210 /nfs/dbraw/zinc/06/22/10/383062210.db2.gz UUXZSHPYJKROHX-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN CC#CCN1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246552360 383080401 /nfs/dbraw/zinc/08/04/01/383080401.db2.gz KLKYWMLJDMSUAK-HZPDHXFCSA-N 0 3 261.340 2.737 20 30 CFEDHN C=CCC1(C(=O)NCCN(C)CC)CCCCC1 ZINC000448978997 383121778 /nfs/dbraw/zinc/12/17/78/383121778.db2.gz ZRGMZUMYSAXKGK-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN CC(C)C[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457984416 383125538 /nfs/dbraw/zinc/12/55/38/383125538.db2.gz CWNZKLXYNFMPCZ-IXDOHACOSA-N 0 3 295.386 2.791 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000554889469 383147319 /nfs/dbraw/zinc/14/73/19/383147319.db2.gz OJQCTHMMIRFRPH-YOEHRIQHSA-N 0 3 280.375 2.713 20 30 CFEDHN CN(C)[C@H](CC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000597905760 383129369 /nfs/dbraw/zinc/12/93/69/383129369.db2.gz RHGGTMACGWCTKX-NVXWUHKLSA-N 0 3 299.418 2.832 20 30 CFEDHN C[C@@H](N[C@@H]1CCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000554407037 383133500 /nfs/dbraw/zinc/13/35/00/383133500.db2.gz IWJMWEQSPIDHSF-BXUZGUMPSA-N 0 3 271.364 2.663 20 30 CFEDHN CC1(C)CC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000554406726 383133794 /nfs/dbraw/zinc/13/37/94/383133794.db2.gz ILBSTHWROIXMDZ-NWDGAFQWSA-N 0 3 289.404 2.503 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507500540 383146770 /nfs/dbraw/zinc/14/67/70/383146770.db2.gz JFKVAEKEUJZQRC-UWWQBHOKSA-N 0 3 299.418 2.878 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)c(Cl)c1)C(C)C ZINC000619755470 383146975 /nfs/dbraw/zinc/14/69/75/383146975.db2.gz YIBRWZVXPIQLIB-AWEZNQCLSA-N 0 3 266.772 2.972 20 30 CFEDHN C[C@@H]1[C@H](NC[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000580948235 383082010 /nfs/dbraw/zinc/08/20/10/383082010.db2.gz LVFBDIBELJZZQB-BPQIPLTHSA-N 0 3 296.418 2.683 20 30 CFEDHN C[C@@H]1[C@@H](NC[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000580948237 383082360 /nfs/dbraw/zinc/08/23/60/383082360.db2.gz LVFBDIBELJZZQB-NJAFHUGGSA-N 0 3 296.418 2.683 20 30 CFEDHN C=CCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496295416 383084447 /nfs/dbraw/zinc/08/44/47/383084447.db2.gz RGDQJJKHTJFKEZ-CHWSQXEVSA-N 0 3 266.385 2.504 20 30 CFEDHN C=CCCCCCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496326738 383088321 /nfs/dbraw/zinc/08/83/21/383088321.db2.gz MSARFYAROQMMLB-CYBMUJFWSA-N 0 3 254.374 2.505 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000246665263 383091680 /nfs/dbraw/zinc/09/16/80/383091680.db2.gz BPAWFYSZMXVOCE-ZNMIVQPWSA-N 0 3 266.429 2.777 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000448919445 383106766 /nfs/dbraw/zinc/10/67/66/383106766.db2.gz BBCIVCVSYCIMBO-KRWDZBQOSA-N 0 3 276.424 2.890 20 30 CFEDHN N#CCCOCCN1CCC(CC(F)(F)F)CC1 ZINC000339176369 383177078 /nfs/dbraw/zinc/17/70/78/383177078.db2.gz VPEKYJSXWIJTAO-UHFFFAOYSA-N 0 3 264.291 2.581 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1conc1C)C(C)C ZINC000339180661 383178391 /nfs/dbraw/zinc/17/83/91/383178391.db2.gz BSTVQBYCNZWUPM-MRXNPFEDSA-N 0 3 277.412 2.771 20 30 CFEDHN CC1(C)COc2ccc(C(=O)C(C#N)c3ccncn3)cc21 ZINC000565393991 383178648 /nfs/dbraw/zinc/17/86/48/383178648.db2.gz VNRRATOTVNLGEB-LBPRGKRZSA-N 0 3 293.326 2.637 20 30 CFEDHN CN(CCOCCC#N)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000339207069 383184153 /nfs/dbraw/zinc/18/41/53/383184153.db2.gz BEUQYYHGQXKPOI-RYUDHWBXSA-N 0 3 278.318 2.970 20 30 CFEDHN CCc1nn(C)c(OC)c1CNC1CCC(C)(C#N)CC1 ZINC000449248449 383185831 /nfs/dbraw/zinc/18/58/31/383185831.db2.gz HMZNKBXDKQODSR-UHFFFAOYSA-N 0 3 290.411 2.553 20 30 CFEDHN C=CCCCCCNC(=O)NC1CCN(CC=C)CC1 ZINC000566430862 383187307 /nfs/dbraw/zinc/18/73/07/383187307.db2.gz KFYTUEPHIZJUJB-UHFFFAOYSA-N 0 3 279.428 2.682 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1(C)CCC1)C(C)C ZINC000339109071 383152777 /nfs/dbraw/zinc/15/27/77/383152777.db2.gz GCZHAJYDCCXPIR-OAHLLOKOSA-N 0 3 293.455 2.927 20 30 CFEDHN C=CCCCCCNCc1ccoc1C(=O)OC ZINC000514949259 383156885 /nfs/dbraw/zinc/15/68/85/383156885.db2.gz BTGVUTSIOYHTDK-UHFFFAOYSA-N 0 3 251.326 2.902 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000515195756 383158640 /nfs/dbraw/zinc/15/86/40/383158640.db2.gz FLFHFQWIXKYRBG-BASLNEPJSA-N 0 3 265.360 2.605 20 30 CFEDHN C=CCCCCN1CCCN(C(=O)C(C)C)CC1 ZINC000515985561 383161313 /nfs/dbraw/zinc/16/13/13/383161313.db2.gz QZUTWZBRZQFDJL-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccccc2)nc1 ZINC000562661536 383161284 /nfs/dbraw/zinc/16/12/84/383161284.db2.gz RWOYKQWTIQXRLJ-SJORKVTESA-N 0 3 295.386 2.967 20 30 CFEDHN C=CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000247372747 383167683 /nfs/dbraw/zinc/16/76/83/383167683.db2.gz FHCYEOKBJIQRRJ-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCn1cccc1C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000564116282 383169804 /nfs/dbraw/zinc/16/98/04/383169804.db2.gz IMWKQEVJQAFVIZ-HNNXBMFYSA-N 0 3 289.423 2.621 20 30 CFEDHN CC1(C)CN(Cc2ccc(C#N)cn2)[C@H]2CCC[C@@H]21 ZINC000567245958 383255858 /nfs/dbraw/zinc/25/58/58/383255858.db2.gz BQWANAMTHZTZNR-GJZGRUSLSA-N 0 3 255.365 2.964 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000248688803 383281475 /nfs/dbraw/zinc/28/14/75/383281475.db2.gz IJKBFASZRWBRCL-SQWLQELKSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H](C)N1C ZINC000339623250 383265635 /nfs/dbraw/zinc/26/56/35/383265635.db2.gz UJBOLWGISTUATK-TXEJJXNPSA-N 0 3 277.799 2.736 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000424810884 383267519 /nfs/dbraw/zinc/26/75/19/383267519.db2.gz OFCAFRVWXNPAGG-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN1CC[C@H](N2Cc3cc(C)ccc3CC2(C)C)C1=O ZINC000339638094 383270803 /nfs/dbraw/zinc/27/08/03/383270803.db2.gz LYAXZCFBWNFEFI-KRWDZBQOSA-N 0 3 298.430 2.919 20 30 CFEDHN C=CCOc1ccc(CN(C)CC(C)(C)CO)cc1 ZINC000449416005 383276426 /nfs/dbraw/zinc/27/64/26/383276426.db2.gz QVYZUEIWUPZUBC-UHFFFAOYSA-N 0 3 263.381 2.702 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(COC)o1 ZINC000248635566 383276425 /nfs/dbraw/zinc/27/64/25/383276425.db2.gz VBEKYFLENCQLRB-DZGCQCFKSA-N 0 3 279.380 2.890 20 30 CFEDHN CC#CCN1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000566828373 383215336 /nfs/dbraw/zinc/21/53/36/383215336.db2.gz NELWPPLKBLKRBL-INIZCTEOSA-N 0 3 257.377 2.973 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000424648195 383220630 /nfs/dbraw/zinc/22/06/30/383220630.db2.gz LLHWIXWECBKYLN-GOEBONIOSA-N 0 3 278.440 2.969 20 30 CFEDHN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(CC#N)cc1 ZINC000519549540 383224699 /nfs/dbraw/zinc/22/46/99/383224699.db2.gz ZVVFEFANCATVBM-INIZCTEOSA-N 0 3 280.375 2.653 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000424663760 383224865 /nfs/dbraw/zinc/22/48/65/383224865.db2.gz NNSUMBCSQQZFDW-UHFFFAOYSA-N 0 3 296.455 2.594 20 30 CFEDHN C[C@@H](C(=O)N1CCC(CCC#N)CC1)[C@@H](N)c1ccccc1 ZINC000519604176 383229447 /nfs/dbraw/zinc/22/94/47/383229447.db2.gz MWUUKCSMMQSMID-RHSMWYFYSA-N 0 3 299.418 2.865 20 30 CFEDHN Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)c(C#N)cn1 ZINC000425209120 383340702 /nfs/dbraw/zinc/34/07/02/383340702.db2.gz QNIQFRAFNTXBKH-QGZVFWFLSA-N 0 3 298.365 2.538 20 30 CFEDHN CCCNC(=O)[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249393497 383343931 /nfs/dbraw/zinc/34/39/31/383343931.db2.gz SFTVMKLEWIFNQZ-RHSMWYFYSA-N 0 3 299.418 2.857 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000466780240 383344173 /nfs/dbraw/zinc/34/41/73/383344173.db2.gz TYUWQPOTAKDUPO-GDBMZVCRSA-N 0 3 293.455 2.857 20 30 CFEDHN CC[C@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743100 383287369 /nfs/dbraw/zinc/28/73/69/383287369.db2.gz MNMPUTMESHMXAH-BBRMVZONSA-N 0 3 285.391 2.784 20 30 CFEDHN Cn1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000248813249 383293005 /nfs/dbraw/zinc/29/30/05/383293005.db2.gz DCAZLEBQKZFRED-GDBMZVCRSA-N 0 3 299.374 2.578 20 30 CFEDHN C=CCCCCCN1CCS[C@@H]2COCC[C@H]21 ZINC000248823856 383294155 /nfs/dbraw/zinc/29/41/55/383294155.db2.gz YZLXSDOABHHNBE-ZIAGYGMSSA-N 0 3 255.427 2.939 20 30 CFEDHN CC(C)[C@@H](NCc1cccc(F)c1C#N)C1(CO)CCC1 ZINC000339725636 383298133 /nfs/dbraw/zinc/29/81/33/383298133.db2.gz HKGQMWXUIUOQRW-MRXNPFEDSA-N 0 3 290.382 2.974 20 30 CFEDHN CC(C)[C@@H](CO)[C@@H](NCc1ccc(C#N)o1)C(C)C ZINC000449512211 383347616 /nfs/dbraw/zinc/34/76/16/383347616.db2.gz OWUPGRMZKPQDTR-CABCVRRESA-N 0 3 264.369 2.530 20 30 CFEDHN C=CC(C)(C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449485560 383324439 /nfs/dbraw/zinc/32/44/39/383324439.db2.gz NUNCVRZJFGONAY-UHFFFAOYSA-N 0 3 294.351 2.914 20 30 CFEDHN N#CCCN(C(=O)CN1CC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000426465798 383401589 /nfs/dbraw/zinc/40/15/89/383401589.db2.gz CFKRUQAFMFHRHR-DOTOQJQBSA-N 0 3 297.402 2.808 20 30 CFEDHN C=CCC1(C(=O)NCC2=CCN(C)CC2)CCCCC1 ZINC000450422472 383403171 /nfs/dbraw/zinc/40/31/71/383403171.db2.gz VCFMVPPTHBZYMH-UHFFFAOYSA-N 0 3 276.424 2.891 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000467293265 383352916 /nfs/dbraw/zinc/35/29/16/383352916.db2.gz IXLANULGFVWQAK-IILDEKEXSA-N 0 3 290.451 2.968 20 30 CFEDHN CC1(C)CCCN1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425268444 383354212 /nfs/dbraw/zinc/35/42/12/383354212.db2.gz OTLYYERWWQNURG-UHFFFAOYSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc2c1OCCCO2 ZINC000449548991 383355914 /nfs/dbraw/zinc/35/59/14/383355914.db2.gz STQDYAGUXPXGLE-CABCVRRESA-N 0 3 289.375 2.671 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449664308 383359456 /nfs/dbraw/zinc/35/94/56/383359456.db2.gz BGIVNSVBOMTEIK-WDEREUQCSA-N 0 3 278.318 2.561 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC000449864595 383368833 /nfs/dbraw/zinc/36/88/33/383368833.db2.gz PMGINTZUTHQXDH-OAHLLOKOSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000449941110 383372876 /nfs/dbraw/zinc/37/28/76/383372876.db2.gz OSIKCTZRJBYPCC-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CCCC1 ZINC000450097541 383381077 /nfs/dbraw/zinc/38/10/77/383381077.db2.gz PHSBRXCYESHYGM-LSDHHAIUSA-N 0 3 278.440 2.968 20 30 CFEDHN Cc1cccc(NC(=O)C[C@@H](C)NCC2(CC#N)CC2)c1 ZINC000568710653 383428925 /nfs/dbraw/zinc/42/89/25/383428925.db2.gz KBOPOJGWALYMOE-CQSZACIVSA-N 0 3 285.391 2.996 20 30 CFEDHN C=CCN(CCOC)CCOc1cccc(CC)c1 ZINC000484559626 383457484 /nfs/dbraw/zinc/45/74/84/383457484.db2.gz VNJQJQKOONBFDC-UHFFFAOYSA-N 0 3 263.381 2.762 20 30 CFEDHN C=CCN(C)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000428371439 383459995 /nfs/dbraw/zinc/45/99/95/383459995.db2.gz FEZISBNWYBIAAU-UHFFFAOYSA-N 0 3 289.331 2.846 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000450707949 383483518 /nfs/dbraw/zinc/48/35/18/383483518.db2.gz MGEJDUQRUJKLRC-GOEBONIOSA-N 0 3 272.392 2.777 20 30 CFEDHN C=C(C)COCCNCc1ccc(OCC)c(F)c1 ZINC000487283672 383478385 /nfs/dbraw/zinc/47/83/85/383478385.db2.gz XXGSFPQFYSEONU-UHFFFAOYSA-N 0 3 267.344 2.907 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000569889744 383547281 /nfs/dbraw/zinc/54/72/81/383547281.db2.gz YIIBBPNSQZWZQD-FZNQNYSPSA-N 0 3 261.365 2.861 20 30 CFEDHN Cc1c(C#N)c(N[C@@H]2CCN(C)[C@H](C)C2)nc2ccccc12 ZINC000569917523 383549884 /nfs/dbraw/zinc/54/98/84/383549884.db2.gz BFQDJJKQDGMWIZ-TZMCWYRMSA-N 0 3 294.402 2.731 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1F ZINC000340897456 383498506 /nfs/dbraw/zinc/49/85/06/383498506.db2.gz HBJADYODWVFDLG-KKUMJFAQSA-N 0 3 274.339 2.766 20 30 CFEDHN C=CCNC(=O)CN(C(C)C)[C@H](C)c1ccccc1 ZINC000428841923 383499284 /nfs/dbraw/zinc/49/92/84/383499284.db2.gz RCEBGONMTIRSCX-CQSZACIVSA-N 0 3 260.381 2.760 20 30 CFEDHN CC#CCCN(CCO)Cc1cccc(Br)c1 ZINC000488179704 383503055 /nfs/dbraw/zinc/50/30/55/383503055.db2.gz QSZQMWRVPWGVGD-UHFFFAOYSA-N 0 3 296.208 2.657 20 30 CFEDHN CC(C)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1C ZINC000488205130 383506090 /nfs/dbraw/zinc/50/60/90/383506090.db2.gz UDMQISSEGPZKRM-WMLDXEAASA-N 0 3 271.408 2.891 20 30 CFEDHN C=CC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528377464 383507671 /nfs/dbraw/zinc/50/76/71/383507671.db2.gz GDCPARRAAJMIFO-MRXNPFEDSA-N 0 3 276.424 2.818 20 30 CFEDHN N#Cc1cnn2cc(CNCCC3=CCCCCC3)cnc12 ZINC000569928131 383550907 /nfs/dbraw/zinc/55/09/07/383550907.db2.gz YDAUQEMODDPVFP-UHFFFAOYSA-N 0 3 295.390 2.971 20 30 CFEDHN Cc1cc(CN(C)C[C@@H]2CCCC[C@H]2O)ccc1C#N ZINC000488329806 383521827 /nfs/dbraw/zinc/52/18/27/383521827.db2.gz PFHPEHOQWVQUNE-DLBZAZTESA-N 0 3 272.392 2.850 20 30 CFEDHN CC(C)(C)C1=CCN(C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528419030 383527874 /nfs/dbraw/zinc/52/78/74/383527874.db2.gz AQGJSEWPZKHSQM-CQSZACIVSA-N 0 3 262.397 2.719 20 30 CFEDHN CC(C)(C)C1=CCN(C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528419029 383528635 /nfs/dbraw/zinc/52/86/35/383528635.db2.gz AQGJSEWPZKHSQM-AWEZNQCLSA-N 0 3 262.397 2.719 20 30 CFEDHN Cc1cc(CN(CCCCO)C2CC2)ccc1C#N ZINC000488448013 383542287 /nfs/dbraw/zinc/54/22/87/383542287.db2.gz LFXWASXQKGMLJY-UHFFFAOYSA-N 0 3 258.365 2.604 20 30 CFEDHN N#CCC1(CNCc2cnn(-c3ccccc3)c2)CC1 ZINC000430069046 383588258 /nfs/dbraw/zinc/58/82/58/383588258.db2.gz HAHAVJKVJBMHHI-UHFFFAOYSA-N 0 3 266.348 2.656 20 30 CFEDHN Cc1ccccc1NC(=O)C[C@@H](C)NCC1(CC#N)CC1 ZINC000430747579 383598323 /nfs/dbraw/zinc/59/83/23/383598323.db2.gz YDEZIPBILLRATK-CQSZACIVSA-N 0 3 285.391 2.996 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc(C2CCCC2)no1 ZINC000429715951 383562163 /nfs/dbraw/zinc/56/21/63/383562163.db2.gz OJSIFPFUSNDRLI-UHFFFAOYSA-N 0 3 292.427 2.667 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc(F)c1 ZINC000429714373 383562636 /nfs/dbraw/zinc/56/26/36/383562636.db2.gz FXCJXKFYBLEALM-UHFFFAOYSA-N 0 3 250.361 2.765 20 30 CFEDHN CC(C)N1CC[C@H](N(C)c2ncc(C#N)cc2Cl)C1 ZINC000450947062 383563609 /nfs/dbraw/zinc/56/36/09/383563609.db2.gz ASYCWCSUPJWVQR-LBPRGKRZSA-N 0 3 278.787 2.526 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1(C)CC1)C(C)C ZINC000429800223 383569542 /nfs/dbraw/zinc/56/95/42/383569542.db2.gz CBGJKDHKQUPQLQ-OAHLLOKOSA-N 0 3 278.440 2.991 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000451585857 383652254 /nfs/dbraw/zinc/65/22/54/383652254.db2.gz FJTQVEFCNIDPIQ-RDJZCZTQSA-N 0 3 288.366 2.584 20 30 CFEDHN CCCN1CCC[C@H]1CNc1snc(C)c1C#N ZINC000570755190 383631833 /nfs/dbraw/zinc/63/18/33/383631833.db2.gz OPRAYWSSFTYFNQ-NSHDSACASA-N 0 3 264.398 2.610 20 30 CFEDHN N#Cc1ccccc1OCCN1CCSC[C@H]1C1CC1 ZINC000451650092 383675770 /nfs/dbraw/zinc/67/57/70/383675770.db2.gz ULNMSTVJDDUCIZ-HNNXBMFYSA-N 0 3 288.416 2.764 20 30 CFEDHN N#CCCC[C@H](NCC(=O)NCC1CC1)c1ccccc1 ZINC000433018582 383752337 /nfs/dbraw/zinc/75/23/37/383752337.db2.gz FEBGDRFPMRMXMW-INIZCTEOSA-N 0 3 285.391 2.537 20 30 CFEDHN N#CCCC[C@@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000433014634 383752563 /nfs/dbraw/zinc/75/25/63/383752563.db2.gz GDFGZCJPGUAFAD-OAHLLOKOSA-N 0 3 298.342 2.870 20 30 CFEDHN CN(C(=O)CN[C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433023064 383752721 /nfs/dbraw/zinc/75/27/21/383752721.db2.gz NEABAWFAYJYHHW-MRXNPFEDSA-N 0 3 285.391 2.632 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccc(CC)cc3)C2)C1=O ZINC000433083202 383754331 /nfs/dbraw/zinc/75/43/31/383754331.db2.gz OAWLYYYIQCSWME-ZWKOTPCHSA-N 0 3 298.430 2.825 20 30 CFEDHN Cc1cc(CN(C)C(=O)C(C#N)CCc2ccccc2)no1 ZINC000433220309 383756389 /nfs/dbraw/zinc/75/63/89/383756389.db2.gz PGXCMPIMXQUFNM-OAHLLOKOSA-N 0 3 297.358 2.714 20 30 CFEDHN CN(C)[C@@H](CC(=O)N(C)C1(C#N)CCC1)c1ccccc1 ZINC000433319597 383760288 /nfs/dbraw/zinc/76/02/88/383760288.db2.gz RNWMPCIBDXQNCA-HNNXBMFYSA-N 0 3 285.391 2.584 20 30 CFEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(C)C#N)c1 ZINC000435721075 383779465 /nfs/dbraw/zinc/77/94/65/383779465.db2.gz AYXDWEJJRYEQRM-FVQBIDKESA-N 0 3 286.375 2.961 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC=CCC1 ZINC000433351225 383761782 /nfs/dbraw/zinc/76/17/82/383761782.db2.gz GNJNMRLUHSOWMQ-HZPDHXFCSA-N 0 3 268.360 2.984 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 ZINC000434255000 383766911 /nfs/dbraw/zinc/76/69/11/383766911.db2.gz GJFZXOLVHONYBW-QWHCGFSZSA-N 0 3 288.347 2.783 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000435740475 383778711 /nfs/dbraw/zinc/77/87/11/383778711.db2.gz KJEJKHQPJLKHMW-WBMJQRKESA-N 0 3 287.363 2.741 20 30 CFEDHN Cn1cc([C@H]2CN(Cc3ccccc3C#N)CC2(C)C)cn1 ZINC000572682167 383806610 /nfs/dbraw/zinc/80/66/10/383806610.db2.gz ABVKAIFZKGMTJF-QGZVFWFLSA-N 0 3 294.402 2.917 20 30 CFEDHN CCCN(C)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000436349958 383808164 /nfs/dbraw/zinc/80/81/64/383808164.db2.gz FFCKTOAIWBNPMZ-SJORKVTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000280968814 195050757 /nfs/dbraw/zinc/05/07/57/195050757.db2.gz ZWBGZCDYPZPFMQ-ZOWXZIJZSA-N 0 3 293.363 2.698 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000453141236 383781663 /nfs/dbraw/zinc/78/16/63/383781663.db2.gz BXKBHFRJOWKRMT-HUUCEWRRSA-N 0 3 274.339 2.745 20 30 CFEDHN CC[C@@](C)(COc1ncccc1Cl)NC(=O)C(C)C#N ZINC000435990640 383782472 /nfs/dbraw/zinc/78/24/72/383782472.db2.gz BOSFYAXGMHPNCB-HZMBPMFUSA-N 0 3 295.770 2.558 20 30 CFEDHN C[C@@H](CCC#N)N(C)Cc1ccc2c(c1)OCCO2 ZINC000572488214 383786109 /nfs/dbraw/zinc/78/61/09/383786109.db2.gz KMWINYHDKRMACS-LBPRGKRZSA-N 0 3 260.337 2.582 20 30 CFEDHN CN1CCN(CC#Cc2ccccc2Cl)CC1(C)C ZINC000572494596 383788420 /nfs/dbraw/zinc/78/84/20/383788420.db2.gz ZPDWSNUBHZJREM-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640446722 383795609 /nfs/dbraw/zinc/79/56/09/383795609.db2.gz XCPYIYDXBQSAHN-UHFFFAOYSA-N 0 3 299.418 2.889 20 30 CFEDHN C[C@@H](NCC1=CCOCC1)c1ccc(C#N)c(F)c1 ZINC000453299974 383841831 /nfs/dbraw/zinc/84/18/31/383841831.db2.gz WNECPVCKOKMNIM-LLVKDONJSA-N 0 3 260.312 2.695 20 30 CFEDHN N#CCCCN(CCCO)[C@@H]1CCc2ccccc21 ZINC000265259747 383876114 /nfs/dbraw/zinc/87/61/14/383876114.db2.gz VBLCBRLNKGFKBN-MRXNPFEDSA-N 0 3 258.365 2.662 20 30 CFEDHN CC[C@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N(CC)CC ZINC000265473234 383924926 /nfs/dbraw/zinc/92/49/26/383924926.db2.gz SJKIDDCNHCDGSM-CZUORRHYSA-N 0 3 287.407 2.856 20 30 CFEDHN COc1cc(NC(C)=O)ccc1[C@@H](C)NCCCC#N ZINC000346812021 533022862 /nfs/dbraw/zinc/02/28/62/533022862.db2.gz VVHQYDYPORJRPP-LLVKDONJSA-N 0 3 275.352 2.608 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000573905582 384009526 /nfs/dbraw/zinc/00/95/26/384009526.db2.gz IYYJBMXNGSNILZ-QGZVFWFLSA-N 0 3 263.344 2.943 20 30 CFEDHN C=CCCOCC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000646694030 384055907 /nfs/dbraw/zinc/05/59/07/384055907.db2.gz CUCFXTSGLCDHLQ-MRXNPFEDSA-N 0 3 290.407 2.519 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000637623581 384140667 /nfs/dbraw/zinc/14/06/67/384140667.db2.gz HXDRZWFPKRAQOZ-GJZGRUSLSA-N 0 3 295.471 2.960 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000637624317 384141624 /nfs/dbraw/zinc/14/16/24/384141624.db2.gz WXTJSLOJEPUFAZ-HNNXBMFYSA-N 0 3 291.439 2.635 20 30 CFEDHN C=C(C)CN(CC)Cc1cccn(C(F)F)c1=O ZINC000637838068 384214056 /nfs/dbraw/zinc/21/40/56/384214056.db2.gz QGUUOZJJMIXQSU-UHFFFAOYSA-N 0 3 256.296 2.641 20 30 CFEDHN C=C(Cl)CN[C@H]1CCc2c(cccc2OC)C1 ZINC000277183570 384225103 /nfs/dbraw/zinc/22/51/03/384225103.db2.gz HWVHWZQYONCWJZ-LBPRGKRZSA-N 0 3 251.757 2.895 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccccc1C(F)(F)F ZINC000641768985 384335637 /nfs/dbraw/zinc/33/56/37/384335637.db2.gz NCXOXJFAMHEJDD-LBPRGKRZSA-N 0 3 271.282 2.569 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000277652546 384366369 /nfs/dbraw/zinc/36/63/69/384366369.db2.gz DCFVGFVLZGIOFV-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN Cc1ccnc(NC[C@H]2CCCCN2C2CC2)c1C#N ZINC000277524548 384327146 /nfs/dbraw/zinc/32/71/46/384327146.db2.gz VKGFYNLFCAPKAB-CQSZACIVSA-N 0 3 270.380 2.691 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc2ccccc2cc1OC ZINC000641767774 384334053 /nfs/dbraw/zinc/33/40/53/384334053.db2.gz QVBRGLVNJDXMCH-KRWDZBQOSA-N 0 3 283.371 2.712 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc2ccccc2s1 ZINC000641768065 384334275 /nfs/dbraw/zinc/33/42/75/384334275.db2.gz VNNMOGZFYWFWMR-ZDUSSCGKSA-N 0 3 259.374 2.765 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc2ccccc2c1 ZINC000641769041 384334482 /nfs/dbraw/zinc/33/44/82/384334482.db2.gz OLFIQHVOXFIHSF-QGZVFWFLSA-N 0 3 253.345 2.704 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000277739353 384392075 /nfs/dbraw/zinc/39/20/75/384392075.db2.gz KQOIZGAGBXOCGC-QGZVFWFLSA-N 0 3 288.391 2.694 20 30 CFEDHN CCCCCCNC(=[NH2+])NCc1ccc([O-])c(F)c1 ZINC000267457923 384396491 /nfs/dbraw/zinc/39/64/91/384396491.db2.gz UDPAYGQHPMKDTA-UHFFFAOYSA-N 0 3 267.348 2.516 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)[nH]1 ZINC000642282657 384420151 /nfs/dbraw/zinc/42/01/51/384420151.db2.gz QLNHGUAHUDERSW-ZDUSSCGKSA-N 0 3 268.320 2.528 20 30 CFEDHN CC[C@H](NCc1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278151678 384484230 /nfs/dbraw/zinc/48/42/30/384484230.db2.gz AESXGQXCLVZTJQ-HNNXBMFYSA-N 0 3 254.337 2.533 20 30 CFEDHN CC[C@@H](NCCC(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000278199607 384496668 /nfs/dbraw/zinc/49/66/68/384496668.db2.gz GHNNKVMGQGMLBF-OAHLLOKOSA-N 0 3 273.380 2.514 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000374633496 220324729 /nfs/dbraw/zinc/32/47/29/220324729.db2.gz VVMUQJVZKPZXFC-DLBZAZTESA-N 0 3 286.375 2.614 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](c1cccs1)C(C)(C)CO ZINC000289358179 197310312 /nfs/dbraw/zinc/31/03/12/197310312.db2.gz NWXSVSXXLBCSCC-OCCSQVGLSA-N 0 3 283.437 2.724 20 30 CFEDHN C#C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)C(C)C ZINC000289319131 197296063 /nfs/dbraw/zinc/29/60/63/197296063.db2.gz FNNUJLAHIOPCCW-HNNXBMFYSA-N 0 3 271.339 2.963 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NC[C@@H]2CCCCO2)cc1 ZINC000268812761 384665729 /nfs/dbraw/zinc/66/57/29/384665729.db2.gz OWUGCYBHYOAGAU-PBHICJAKSA-N 0 3 273.376 2.918 20 30 CFEDHN C=CCCOCCN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279679868 384720136 /nfs/dbraw/zinc/72/01/36/384720136.db2.gz HAPJFNKJFNKBKT-GOEBONIOSA-N 0 3 263.381 2.945 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CCCC[C@@H]1O ZINC000269409916 384755736 /nfs/dbraw/zinc/75/57/36/384755736.db2.gz ISJMQNFNEAIBQF-HOTGVXAUSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000269440561 384757929 /nfs/dbraw/zinc/75/79/29/384757929.db2.gz SKDNEEGIWODIBO-KBPBESRZSA-N 0 3 289.398 2.907 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2csc(C)n2)CC1 ZINC000269424674 384758159 /nfs/dbraw/zinc/75/81/59/384758159.db2.gz NFEHBIAPGNVPQX-NSHDSACASA-N 0 3 265.426 2.753 20 30 CFEDHN C#CCN(CC)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000269493065 384767682 /nfs/dbraw/zinc/76/76/82/384767682.db2.gz ZCNNUCZVFPQPAP-AWEZNQCLSA-N 0 3 285.309 2.564 20 30 CFEDHN C#CCCCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000270027562 384948903 /nfs/dbraw/zinc/94/89/03/384948903.db2.gz APLDFMLZLPWYGQ-ZDUSSCGKSA-N 0 3 264.394 2.888 20 30 CFEDHN C#CCCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000269940213 384912902 /nfs/dbraw/zinc/91/29/02/384912902.db2.gz ZRVCVFKBKNQKDJ-CQSZACIVSA-N 0 3 259.349 2.864 20 30 CFEDHN O[C@@H](CNCC#Cc1ccccc1)C1CCCCC1 ZINC000644514902 384913702 /nfs/dbraw/zinc/91/37/02/384913702.db2.gz JOBYYGMIKGAVDH-KRWDZBQOSA-N 0 3 257.377 2.569 20 30 CFEDHN COc1cccc([C@H](CNc2cnccc2C#N)N(C)C)c1 ZINC000269987053 384931854 /nfs/dbraw/zinc/93/18/54/384931854.db2.gz SRZPDLVAOULRPQ-KRWDZBQOSA-N 0 3 296.374 2.677 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(Cl)cc(Cl)c1N ZINC000638829091 384960021 /nfs/dbraw/zinc/96/00/21/384960021.db2.gz IQZSPWCFFHTGFV-VIFPVBQESA-N 0 3 289.206 2.850 20 30 CFEDHN C=C(CNC[C@H](O)CC(F)(F)F)c1ccccc1 ZINC000644647335 384975236 /nfs/dbraw/zinc/97/52/36/384975236.db2.gz QXJXYEFKLOKMOW-GFCCVEGCSA-N 0 3 259.271 2.603 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000289265582 197279864 /nfs/dbraw/zinc/27/98/64/197279864.db2.gz NBAWSIHPTYUGHA-CRAIPNDOSA-N 0 3 279.387 2.948 20 30 CFEDHN C[C@H](C(=O)N1CCc2ccc(C#N)cc21)N1[C@H](C)CC[C@@H]1C ZINC000270195653 385011468 /nfs/dbraw/zinc/01/14/68/385011468.db2.gz DIPRNTZEUOWNTF-HZSPNIEDSA-N 0 3 297.402 2.709 20 30 CFEDHN N#CCCCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000270216999 385018936 /nfs/dbraw/zinc/01/89/36/385018936.db2.gz MEMUAMFJRXPKPP-LBPRGKRZSA-N 0 3 265.382 2.778 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCC[C@H]1O ZINC000270220174 385019120 /nfs/dbraw/zinc/01/91/20/385019120.db2.gz ZDIMUZIZUVLLGM-GOEBONIOSA-N 0 3 277.795 2.784 20 30 CFEDHN CN1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccccc1 ZINC000270273851 385039454 /nfs/dbraw/zinc/03/94/54/385039454.db2.gz KVVPSKIGQSVFBE-HZPDHXFCSA-N 0 3 278.359 2.811 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc2c1OCCO2 ZINC000280699560 385119174 /nfs/dbraw/zinc/11/91/74/385119174.db2.gz SHDBBESYGHUCPE-GOEBONIOSA-N 0 3 289.375 2.529 20 30 CFEDHN C#CCCN1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000270522528 385133745 /nfs/dbraw/zinc/13/37/45/385133745.db2.gz MTJFGEMCIAZDRI-UHFFFAOYSA-N 0 3 288.391 2.603 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(C#N)CCC2)c1 ZINC000270402251 385088871 /nfs/dbraw/zinc/08/88/71/385088871.db2.gz WFKQYTWOLPNGMZ-UHFFFAOYSA-N 0 3 271.364 2.689 20 30 CFEDHN N#CCCCN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000270442230 385106088 /nfs/dbraw/zinc/10/60/88/385106088.db2.gz JTERIUOYJRHQLB-CQSZACIVSA-N 0 3 268.364 2.804 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCCn1ccnc1C ZINC000270686108 385189983 /nfs/dbraw/zinc/18/99/83/385189983.db2.gz VHUVIUFCNMUFEW-UHFFFAOYSA-N 0 3 297.402 2.726 20 30 CFEDHN C#CCSCCNCc1nc2ccc(Cl)cc2n1C ZINC000270584179 385154660 /nfs/dbraw/zinc/15/46/60/385154660.db2.gz AYZQVPBWEMAWGH-UHFFFAOYSA-N 0 3 293.823 2.683 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000334961506 533107195 /nfs/dbraw/zinc/10/71/95/533107195.db2.gz KWUPOOJBFDAJLY-IUCAKERBSA-N 0 3 252.264 2.644 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)o2)CCO1 ZINC000270650499 385176540 /nfs/dbraw/zinc/17/65/40/385176540.db2.gz LTGDKNZVYLRHIS-FZMZJTMJSA-N 0 3 262.353 2.835 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2ccccc2)C1=O ZINC000282088555 385210350 /nfs/dbraw/zinc/21/03/50/385210350.db2.gz VBNWDYMVNMURJL-HOTGVXAUSA-N 0 3 270.376 2.610 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000336621463 533108811 /nfs/dbraw/zinc/10/88/11/533108811.db2.gz RZHAAVDBGUYUSP-UWVGGRQHSA-N 0 3 273.361 2.975 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@@H](CC)c2ccccc2)C1=O ZINC000282145872 385227168 /nfs/dbraw/zinc/22/71/68/385227168.db2.gz ZYKQZQOYTXJDMA-JKSUJKDBSA-N 0 3 272.392 2.856 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2ccccc2o1 ZINC000639145546 385248420 /nfs/dbraw/zinc/24/84/20/385248420.db2.gz NASJNAGHFJZJRJ-LRDDRELGSA-N 0 3 272.348 2.899 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000335974696 533110259 /nfs/dbraw/zinc/11/02/59/533110259.db2.gz VYJOYLYHNYKTMI-SMDDNHRTSA-N 0 3 260.312 2.519 20 30 CFEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000289083200 197229829 /nfs/dbraw/zinc/22/98/29/197229829.db2.gz BABGEEWEJYYLMK-QWHCGFSZSA-N 0 3 258.365 2.577 20 30 CFEDHN C#CCCCN(C)Cc1cc(Br)cn1C ZINC000271027166 385308930 /nfs/dbraw/zinc/30/89/30/385308930.db2.gz KISJYKGLYKJBPJ-UHFFFAOYSA-N 0 3 269.186 2.633 20 30 CFEDHN CN1CCN(CC#Cc2cccc(Cl)c2)C(C)(C)C1 ZINC000271050458 385321605 /nfs/dbraw/zinc/32/16/05/385321605.db2.gz PKONZTOFKCOAFH-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000645238460 385261311 /nfs/dbraw/zinc/26/13/11/385261311.db2.gz RPCMXRBIVAYLEY-GJZGRUSLSA-N 0 3 281.783 2.730 20 30 CFEDHN C#Cc1ccc(CN2CCC(c3nc(C)no3)CC2)cc1 ZINC000289066971 197225926 /nfs/dbraw/zinc/22/59/26/197225926.db2.gz JNTFECAYJJVKRK-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000347042996 533115461 /nfs/dbraw/zinc/11/54/61/533115461.db2.gz DLCSAJGMCJZSOU-IUCAKERBSA-N 0 3 292.289 2.768 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000271905104 385396556 /nfs/dbraw/zinc/39/65/56/385396556.db2.gz WLGZGKNNATUHEL-BMFZPTHFSA-N 0 3 286.350 2.745 20 30 CFEDHN C[C@@H](Cn1ccnc1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937464 385405717 /nfs/dbraw/zinc/40/57/17/385405717.db2.gz NRQFPXOWWOPMRG-RYUDHWBXSA-N 0 3 272.327 2.633 20 30 CFEDHN C=CCCN(C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282889474 385405974 /nfs/dbraw/zinc/40/59/74/385405974.db2.gz XPHXDRZHLWPBAE-UHFFFAOYSA-N 0 3 270.380 2.892 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963248 385412504 /nfs/dbraw/zinc/41/25/04/385412504.db2.gz RTDQSEYYCCTRSP-XUJVJEKNSA-N 0 3 287.382 2.973 20 30 CFEDHN C[C@@H](NCCN1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271972872 385415964 /nfs/dbraw/zinc/41/59/64/385415964.db2.gz XDAOIXIBBOIKOF-CYBMUJFWSA-N 0 3 275.371 2.834 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271974064 385416009 /nfs/dbraw/zinc/41/60/09/385416009.db2.gz VBXZMBGOGVPQEK-NEPJUHHUSA-N 0 3 291.370 2.653 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272062953 385439788 /nfs/dbraw/zinc/43/97/88/385439788.db2.gz IGCPEWOMJIWHIV-MLGOLLRUSA-N 0 3 290.382 2.866 20 30 CFEDHN C=CCC1(N[C@H](c2nccn2C)C2CC2)CCOCC1 ZINC000639316677 385442896 /nfs/dbraw/zinc/44/28/96/385442896.db2.gz XMFUCZNVGRXKHL-AWEZNQCLSA-N 0 3 275.396 2.586 20 30 CFEDHN CCNC(=O)C(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000272162989 385463607 /nfs/dbraw/zinc/46/36/07/385463607.db2.gz BZRBUVFKOJULDT-LLVKDONJSA-N 0 3 291.370 2.510 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn2cc(C)ccc2n1 ZINC000283813879 385502844 /nfs/dbraw/zinc/50/28/44/385502844.db2.gz DIILEFMIDHIFQF-WMLDXEAASA-N 0 3 285.391 2.714 20 30 CFEDHN C=CCOc1ccc(CNC2(COC)CCC2)cc1OC ZINC000283876275 385509095 /nfs/dbraw/zinc/50/90/95/385509095.db2.gz GWYUGNLGRLXAQV-UHFFFAOYSA-N 0 3 291.391 2.919 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H](C)CN2CCC[C@H](C)C2)n1 ZINC000286230923 385574798 /nfs/dbraw/zinc/57/47/98/385574798.db2.gz HMTMKCYBAUTBIH-JSGCOSHPSA-N 0 3 272.396 2.794 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccccc1Cl ZINC000286374356 385601190 /nfs/dbraw/zinc/60/11/90/385601190.db2.gz YWMLMLUJBUVSQF-ZDUSSCGKSA-N 0 3 251.757 2.717 20 30 CFEDHN CCSCCCNCc1ccc(C#N)cc1F ZINC000272812813 385621539 /nfs/dbraw/zinc/62/15/39/385621539.db2.gz CXPMQTCAPMOKPR-UHFFFAOYSA-N 0 3 252.358 2.930 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CC)Cc1ccc(C)cc1 ZINC000272877132 385638800 /nfs/dbraw/zinc/63/88/00/385638800.db2.gz PYSFBWMVEFRNPZ-INIZCTEOSA-N 0 3 295.448 2.507 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@@H](C)c2c1cccc2C ZINC000272898613 385645552 /nfs/dbraw/zinc/64/55/52/385645552.db2.gz URZFXFKZISODPK-HIFRSBDPSA-N 0 3 293.432 2.734 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](C)CCc1cccc(C)c1 ZINC000272898562 385645883 /nfs/dbraw/zinc/64/58/83/385645883.db2.gz UPWHTQJNLICBBY-OAHLLOKOSA-N 0 3 295.448 2.507 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc3ccccn3c2C#N)CC1 ZINC000272914885 385650298 /nfs/dbraw/zinc/65/02/98/385650298.db2.gz OYQAANSTGSDEED-UHFFFAOYSA-N 0 3 295.390 2.658 20 30 CFEDHN COc1cc(CNC[C@H]2COc3ccccc32)ccc1C#N ZINC000288694650 197146670 /nfs/dbraw/zinc/14/66/70/197146670.db2.gz YDTACLGGSOAVBG-HNNXBMFYSA-N 0 3 294.354 2.833 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccc(C#N)cc1F ZINC000286693079 385687283 /nfs/dbraw/zinc/68/72/83/385687283.db2.gz VYYSKVYGBXRMRL-WLRQEKSISA-N 0 3 286.350 2.553 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(C#N)ccc1F ZINC000286772169 385706776 /nfs/dbraw/zinc/70/67/76/385706776.db2.gz ZXIOWTZFVWAQPI-RFLUGMABSA-N 0 3 286.350 2.553 20 30 CFEDHN C=CCN(Cc1cccc2c1CCOC2)[C@@H](C)COC ZINC000639785390 385707845 /nfs/dbraw/zinc/70/78/45/385707845.db2.gz WVECAIDPYFMVJN-AWEZNQCLSA-N 0 3 275.392 2.782 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000274295739 385759432 /nfs/dbraw/zinc/75/94/32/385759432.db2.gz QNXSAXBZBABZPX-WBVHZDCISA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639920167 385771226 /nfs/dbraw/zinc/77/12/26/385771226.db2.gz WSKUDCYTWNQMBY-LBPRGKRZSA-N 0 3 259.271 2.905 20 30 CFEDHN C=CCCCCNCc1cc(C(=O)OC)c(C)o1 ZINC000274504941 385813875 /nfs/dbraw/zinc/81/38/75/385813875.db2.gz SRWZGBLJFFKGLT-UHFFFAOYSA-N 0 3 251.326 2.821 20 30 CFEDHN C=CCCCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000274602598 385831512 /nfs/dbraw/zinc/83/15/12/385831512.db2.gz QNKJXEVTQYNFIC-AWEZNQCLSA-N 0 3 281.421 2.795 20 30 CFEDHN CC(C)C(=O)NC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275070676 385926821 /nfs/dbraw/zinc/92/68/21/385926821.db2.gz ZMHBYJDXHJEBCI-AWEZNQCLSA-N 0 3 299.418 2.856 20 30 CFEDHN C=C(C)CCN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000274824275 385879000 /nfs/dbraw/zinc/87/90/00/385879000.db2.gz ZBCLVYQTFVWBEP-UHFFFAOYSA-N 0 3 299.418 2.692 20 30 CFEDHN Cc1nsc(N(C)CC[C@@H]2CCCCN2C)c1C#N ZINC000288521390 197102671 /nfs/dbraw/zinc/10/26/71/197102671.db2.gz UAIYIEMRIUOJHV-LBPRGKRZSA-N 0 3 278.425 2.634 20 30 CFEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000276089972 385983269 /nfs/dbraw/zinc/98/32/69/385983269.db2.gz MJDYKRPKEDKAGJ-CVEARBPZSA-N 0 3 287.407 2.649 20 30 CFEDHN C#CCN(CC)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000275136516 385942093 /nfs/dbraw/zinc/94/20/93/385942093.db2.gz PEKOETQCYDETOT-UHFFFAOYSA-N 0 3 298.430 2.770 20 30 CFEDHN C=CCC[C@@H](C(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000275193864 385954198 /nfs/dbraw/zinc/95/41/98/385954198.db2.gz ZECKIIUUNADUKH-GOEBONIOSA-N 0 3 274.408 2.803 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1cc(C#N)n(C)c1 ZINC000276711641 386022351 /nfs/dbraw/zinc/02/23/51/386022351.db2.gz CXJJMWYMPHIZIR-UHFFFAOYSA-N 0 3 269.348 2.720 20 30 CFEDHN C[C@H]1CCN(Cc2cc(C#N)n(C)c2)CC12CCC2 ZINC000276733828 386028629 /nfs/dbraw/zinc/02/86/29/386028629.db2.gz HUBYBNJQGFLZOA-ZDUSSCGKSA-N 0 3 257.381 2.909 20 30 CFEDHN COCCN(CCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000276759672 386034880 /nfs/dbraw/zinc/03/48/80/386034880.db2.gz MQQUJUMOAIPJPP-UHFFFAOYSA-N 0 3 297.402 2.588 20 30 CFEDHN COc1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)cc1C#N ZINC000288488402 197092077 /nfs/dbraw/zinc/09/20/77/197092077.db2.gz HBIDVMGIRFCRLU-FZKQIMNGSA-N 0 3 296.370 2.779 20 30 CFEDHN N#Cc1cccc(C2(NC[C@@H]3CC4(CCC4)C(=O)O3)CC2)c1 ZINC000277008868 386106277 /nfs/dbraw/zinc/10/62/77/386106277.db2.gz PIWYLVBTHWHCGU-HNNXBMFYSA-N 0 3 296.370 2.623 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000277016290 386107440 /nfs/dbraw/zinc/10/74/40/386107440.db2.gz QIAJVAXYUFDIPY-LSDHHAIUSA-N 0 3 262.328 2.745 20 30 CFEDHN C=C(C)CCN1CCc2c(cccc2NC(C)=O)C1 ZINC000681400931 542448288 /nfs/dbraw/zinc/44/82/88/542448288.db2.gz WMPFFXJVIXRXEY-UHFFFAOYSA-N 0 3 258.365 2.969 20 30 CFEDHN COCC#CCN[C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000681564480 542465390 /nfs/dbraw/zinc/46/53/90/542465390.db2.gz MRTKRTDMQKXCEE-ZWKOTPCHSA-N 0 3 287.403 2.924 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)c2cc(C)sc2C)C1=O ZINC000281221950 195155494 /nfs/dbraw/zinc/15/54/94/195155494.db2.gz OMNILAVHWVJYMA-BXUZGUMPSA-N 0 3 278.421 2.802 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)c2ccccc2)C1=O ZINC000281366159 195213207 /nfs/dbraw/zinc/21/32/07/195213207.db2.gz VEAHSSGNTKKAIV-GOEBONIOSA-N 0 3 272.392 2.509 20 30 CFEDHN CSCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000281431128 195238097 /nfs/dbraw/zinc/23/80/97/195238097.db2.gz PIAIYYNHRNJLON-UHFFFAOYSA-N 0 3 252.358 2.882 20 30 CFEDHN C=CC[C@H](CO)N[C@H](CC)c1cc(C)ccc1OC ZINC000186684233 260004816 /nfs/dbraw/zinc/00/48/16/260004816.db2.gz KQZVIZPLBWSYNA-UKRRQHHQSA-N 0 3 263.381 2.981 20 30 CFEDHN CC#CCN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000681779797 542489373 /nfs/dbraw/zinc/48/93/73/542489373.db2.gz JNQPXBHVBLKZDT-HNNXBMFYSA-N 0 3 267.376 2.772 20 30 CFEDHN COC(=O)CC1(CN(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425538554 533301426 /nfs/dbraw/zinc/30/14/26/533301426.db2.gz SDTUANTXLVFXMJ-ZDUSSCGKSA-N 0 3 286.375 2.894 20 30 CFEDHN COC(=O)CCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425540147 533379782 /nfs/dbraw/zinc/37/97/82/533379782.db2.gz UYJDLLMDUTZHDI-GFCCVEGCSA-N 0 3 260.337 2.504 20 30 CFEDHN COC(=O)C[C@@H](NC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000347954437 533614164 /nfs/dbraw/zinc/61/41/64/533614164.db2.gz HBBVFXDCFGTNIK-UKRRQHHQSA-N 0 3 291.395 2.532 20 30 CFEDHN Cc1ccc(C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000354462430 533654083 /nfs/dbraw/zinc/65/40/83/533654083.db2.gz HLQFHJHGMVAJKI-CYBMUJFWSA-N 0 3 251.289 2.584 20 30 CFEDHN C=CCOc1cccc(CN[C@]2(CC)CCOC2)c1 ZINC000682952049 542616211 /nfs/dbraw/zinc/61/62/11/542616211.db2.gz DAZNSCAERDWDQU-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN C[C@@](CO)(CNCc1cc(C#N)cs1)c1ccccc1 ZINC000342195031 130328563 /nfs/dbraw/zinc/32/85/63/130328563.db2.gz FSPOKUPTONSHRB-INIZCTEOSA-N 0 3 286.400 2.660 20 30 CFEDHN CC(C)(C)CC[C@@H](CO)NCc1cc(C#N)cs1 ZINC000355724352 130342707 /nfs/dbraw/zinc/34/27/07/130342707.db2.gz DZHXVFIFSYTVHL-LBPRGKRZSA-N 0 3 266.410 2.897 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)C[C@H](N)c1ccccc1 ZINC000237868528 131062692 /nfs/dbraw/zinc/06/26/92/131062692.db2.gz HKTJUFXRYHAJRS-LBPRGKRZSA-N 0 3 286.297 2.653 20 30 CFEDHN C=CCCCCCN1CCc2nnc(NC)cc2C1 ZINC000683780641 542723356 /nfs/dbraw/zinc/72/33/56/542723356.db2.gz NIEOABKYBBAXDQ-UHFFFAOYSA-N 0 3 260.385 2.623 20 30 CFEDHN C=CCOCCNCc1ccc(OCC)c(F)c1 ZINC000683775038 542722749 /nfs/dbraw/zinc/72/27/49/542722749.db2.gz SMCFBIYHXDSFBM-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(Cl)c1OCC ZINC000683775016 542722794 /nfs/dbraw/zinc/72/27/94/542722794.db2.gz RJLBZUANUIDTRB-GFCCVEGCSA-N 0 3 269.772 2.765 20 30 CFEDHN C#CCCN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000372421891 393447432 /nfs/dbraw/zinc/44/74/32/393447432.db2.gz ZSEVSBDHXXHKFG-CQSZACIVSA-N 0 3 266.348 2.632 20 30 CFEDHN OC[C@@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000372767199 393455980 /nfs/dbraw/zinc/45/59/80/393455980.db2.gz PPQFWLKUDCISEY-OAHLLOKOSA-N 0 3 277.795 2.786 20 30 CFEDHN Cc1cc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c(C)s1 ZINC000179375805 393465196 /nfs/dbraw/zinc/46/51/96/393465196.db2.gz XWISPISOYOYSKV-RYUDHWBXSA-N 0 3 293.436 2.776 20 30 CFEDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000373813861 393473042 /nfs/dbraw/zinc/47/30/42/393473042.db2.gz YFUJDENCHXQFFC-RBUKOAKNSA-N 0 3 296.414 2.513 20 30 CFEDHN C=CCN1CCC(Nc2ccnc(C(C)(C)C)n2)CC1 ZINC000301494849 393473761 /nfs/dbraw/zinc/47/37/61/393473761.db2.gz AFJTZSNGDHMHDN-UHFFFAOYSA-N 0 3 274.412 2.836 20 30 CFEDHN C[C@@H]1C[C@@]2(CCO1)CN(CCCC(C)(C)C#N)C[C@H](C)O2 ZINC000373975055 393477070 /nfs/dbraw/zinc/47/70/70/393477070.db2.gz TWUXCYCIAAPDBE-VYDXJSESSA-N 0 3 294.439 2.975 20 30 CFEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C#N)cc1C)C1CC1 ZINC000186200356 393542068 /nfs/dbraw/zinc/54/20/68/393542068.db2.gz PYSOQTBAQQIPDI-ZDUSSCGKSA-N 0 3 286.375 2.640 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)Nc2cc(C3CC3)ccn2)CCN1C ZINC000329524822 393542116 /nfs/dbraw/zinc/54/21/16/393542116.db2.gz QPTPAYOJTCVUNE-RISCZKNCSA-N 0 3 288.395 2.768 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1n[nH]c2ccccc21 ZINC000329533085 393542160 /nfs/dbraw/zinc/54/21/60/393542160.db2.gz KEGBZOIKJXPLTO-BDJLRTHQSA-N 0 3 298.390 2.545 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(CC(=O)N(C)C)CC1 ZINC000186325209 393543278 /nfs/dbraw/zinc/54/32/78/393543278.db2.gz GEJDTUQLGUSJIE-UHFFFAOYSA-N 0 3 299.418 2.557 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000182589304 393511839 /nfs/dbraw/zinc/51/18/39/393511839.db2.gz BWZBUXWMOXDRAX-BXUZGUMPSA-N 0 3 278.783 2.519 20 30 CFEDHN C=CCN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183499725 393521271 /nfs/dbraw/zinc/52/12/71/393521271.db2.gz ILGAGVPUVYATAV-ZDUSSCGKSA-N 0 3 260.381 2.693 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OCC(C)C)cc1 ZINC000184287100 393526505 /nfs/dbraw/zinc/52/65/05/393526505.db2.gz XWZXEQUKULLINJ-OAHLLOKOSA-N 0 3 263.381 2.748 20 30 CFEDHN COCc1ccccc1CNCc1ccc(C#N)cc1 ZINC000037762620 393533446 /nfs/dbraw/zinc/53/34/46/393533446.db2.gz NXWRRTHWDOEAAJ-UHFFFAOYSA-N 0 3 266.344 2.994 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC(=O)N1 ZINC000329649206 393546176 /nfs/dbraw/zinc/54/61/76/393546176.db2.gz BUDPTRXOSAMLQU-GFQSEFKGSA-N 0 3 293.411 2.571 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000329451160 393535989 /nfs/dbraw/zinc/53/59/89/393535989.db2.gz OWHXVRCSCPKWRR-RWMBFGLXSA-N 0 3 281.400 2.572 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000334312301 393592790 /nfs/dbraw/zinc/59/27/90/393592790.db2.gz TXOTVWZDFLBFHH-NSHDSACASA-N 0 3 260.312 2.871 20 30 CFEDHN CC1(C#N)CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000334334880 393595299 /nfs/dbraw/zinc/59/52/99/393595299.db2.gz YULKIQYQJDBLTM-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000397396517 393597646 /nfs/dbraw/zinc/59/76/46/393597646.db2.gz PKTDDNWNYCFTHQ-CQSZACIVSA-N 0 3 264.756 2.726 20 30 CFEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000194093835 393677872 /nfs/dbraw/zinc/67/78/72/393677872.db2.gz NRDHKRAVOWVKFO-UHFFFAOYSA-N 0 3 273.380 2.664 20 30 CFEDHN Cc1nc(C(=O)Nc2cccc(CN(C)C)c2)ccc1C#N ZINC000192842310 393634289 /nfs/dbraw/zinc/63/42/89/393634289.db2.gz IDWZPUFEEADIKF-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000335145636 393646125 /nfs/dbraw/zinc/64/61/25/393646125.db2.gz GACKVGNVOMZORG-MRXNPFEDSA-N 0 3 285.391 2.905 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000335424317 393667904 /nfs/dbraw/zinc/66/79/04/393667904.db2.gz PXXUTSMAUGWKMP-ZBFHGGJFSA-N 0 3 275.779 2.802 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000081065319 393731251 /nfs/dbraw/zinc/73/12/51/393731251.db2.gz LXLDOQHKHUYBKK-CABCVRRESA-N 0 3 298.390 2.567 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)c(C)c1 ZINC000411639647 393733409 /nfs/dbraw/zinc/73/34/09/393733409.db2.gz DFMVNQQZNZBHLO-UHFFFAOYSA-N 0 3 271.408 2.806 20 30 CFEDHN COCCN(CCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000411686945 393737994 /nfs/dbraw/zinc/73/79/94/393737994.db2.gz LPSVKSCDGWARJX-OAHLLOKOSA-N 0 3 280.412 2.588 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CC[C@H](C#N)C1 ZINC000411894476 393757252 /nfs/dbraw/zinc/75/72/52/393757252.db2.gz QMRWBFQUKYJNTB-YUDUHTQSSA-N 0 3 256.349 2.581 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)C[C@@H]1C ZINC000412020124 393759311 /nfs/dbraw/zinc/75/93/11/393759311.db2.gz HNTXNWCBQXOQKC-UONOGXRCSA-N 0 3 291.439 2.838 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1CC#Cc1ccc(Cl)cc1 ZINC000335938634 393710021 /nfs/dbraw/zinc/71/00/21/393710021.db2.gz CGFKSIBWBCURAB-UONOGXRCSA-N 0 3 276.811 2.716 20 30 CFEDHN C=C[C@@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412182655 393764387 /nfs/dbraw/zinc/76/43/87/393764387.db2.gz KHFJONVYKMZXOE-CQSZACIVSA-N 0 3 272.392 2.977 20 30 CFEDHN C[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)N1[C@H](C)CC[C@@H]1C ZINC000412295314 393766366 /nfs/dbraw/zinc/76/63/66/393766366.db2.gz UKUTYUKGVZNYFL-BARDWOONSA-N 0 3 291.439 2.788 20 30 CFEDHN C[C@@H]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000340032643 393834869 /nfs/dbraw/zinc/83/48/69/393834869.db2.gz AUBJPVYIUSRSSY-COXVUDFISA-N 0 3 295.386 2.793 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000412849076 393774970 /nfs/dbraw/zinc/77/49/70/393774970.db2.gz ZSVALTUCVXCBRE-QGZVFWFLSA-N 0 3 286.419 2.632 20 30 CFEDHN COc1cc2nccc(NCC3(CC#N)CC3)c2cc1OC ZINC000413269836 393780787 /nfs/dbraw/zinc/78/07/87/393780787.db2.gz OCAAEKSZLSVPTB-UHFFFAOYSA-N 0 3 297.358 2.780 20 30 CFEDHN CC(=O)NCCN(CCCCC#N)Cc1ccc(C)s1 ZINC000338320888 393781928 /nfs/dbraw/zinc/78/19/28/393781928.db2.gz UQWGQGZFJOEMPF-UHFFFAOYSA-N 0 3 293.436 2.689 20 30 CFEDHN C[C@@H](C(=O)N(CC#N)C1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000413476731 393784382 /nfs/dbraw/zinc/78/43/82/393784382.db2.gz FMPHGVBHFHCHIA-MCIONIFRSA-N 0 3 277.412 2.542 20 30 CFEDHN C[C@H](C(=O)N(CC#N)C1CCCC1)N1[C@H](C)CC[C@H]1C ZINC000413476732 393784439 /nfs/dbraw/zinc/78/44/39/393784439.db2.gz FMPHGVBHFHCHIA-MGPQQGTHSA-N 0 3 277.412 2.542 20 30 CFEDHN CC[C@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000413535601 393785094 /nfs/dbraw/zinc/78/50/94/393785094.db2.gz DWGLDAXWVBSGOZ-BBWFWOEESA-N 0 3 299.418 2.625 20 30 CFEDHN C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000413557800 393785174 /nfs/dbraw/zinc/78/51/74/393785174.db2.gz SDQBOBXFKYZYJK-KNCOVGOOSA-N 0 3 291.439 2.836 20 30 CFEDHN CN(CCN(C)[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000338983533 393808655 /nfs/dbraw/zinc/80/86/55/393808655.db2.gz ZKXINPSMGHQKQC-HOCLYGCPSA-N 0 3 257.381 2.747 20 30 CFEDHN N#CCCOCCN1CCSC2(CCCCC2)C1 ZINC000339017493 393810835 /nfs/dbraw/zinc/81/08/35/393810835.db2.gz SQVAYVMXRHUWDC-UHFFFAOYSA-N 0 3 268.426 2.668 20 30 CFEDHN CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1c(C)nn(C)c1C ZINC000339086145 393816772 /nfs/dbraw/zinc/81/67/72/393816772.db2.gz YGBUGTVMKLQAMM-RDBSUJKOSA-N 0 3 260.385 2.770 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@@H](C)N1CCCC[C@@H]1C)OCC ZINC000339422018 393824689 /nfs/dbraw/zinc/82/46/89/393824689.db2.gz RDVXCFLLJFCVSZ-XHSDSOJGSA-N 0 3 296.455 2.737 20 30 CFEDHN C=CCCOCCCCC(=O)N1CCCN(C(C)C)CC1 ZINC000342824817 393871104 /nfs/dbraw/zinc/87/11/04/393871104.db2.gz NKVFTAUXKHBIBR-UHFFFAOYSA-N 0 3 296.455 2.692 20 30 CFEDHN COCC1(C#N)CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000342836089 393871870 /nfs/dbraw/zinc/87/18/70/393871870.db2.gz GIIXLDRXMURHJD-UHFFFAOYSA-N 0 3 283.375 2.920 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000342865858 393872549 /nfs/dbraw/zinc/87/25/49/393872549.db2.gz HXBQCQLYTXKTRI-INIZCTEOSA-N 0 3 296.455 2.550 20 30 CFEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000108365377 393875535 /nfs/dbraw/zinc/87/55/35/393875535.db2.gz FQOIOOVUPNGVBU-UHFFFAOYSA-N 0 3 291.439 2.982 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342988978 393876456 /nfs/dbraw/zinc/87/64/56/393876456.db2.gz IBVGOXKWUHVYJG-IPYPFGDCSA-N 0 3 279.428 2.513 20 30 CFEDHN CC(C)(CCC#N)CN(CCO)Cc1cccc(F)c1 ZINC000426384830 393888378 /nfs/dbraw/zinc/88/83/78/393888378.db2.gz ZXTKELIKLYDTMH-UHFFFAOYSA-N 0 3 278.371 2.950 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000426831615 393890404 /nfs/dbraw/zinc/89/04/04/393890404.db2.gz FQWOBYSJXNYKII-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344041196 393894121 /nfs/dbraw/zinc/89/41/21/393894121.db2.gz HKVHGVWJSTUEGW-ZQIUZPCESA-N 0 3 293.455 2.797 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000345662046 393913175 /nfs/dbraw/zinc/91/31/75/393913175.db2.gz JPYVARACMUMVQJ-SUNKGSAMSA-N 0 3 260.312 2.895 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCCCC1 ZINC000097056230 393840409 /nfs/dbraw/zinc/84/04/09/393840409.db2.gz IUYLITHRKVSQKK-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000345732786 393915367 /nfs/dbraw/zinc/91/53/67/393915367.db2.gz VKLDBXSXLXMWJC-LBPRGKRZSA-N 0 3 266.385 2.590 20 30 CFEDHN CCCOc1ccc(C(C)(C)NCC#CCOC)cc1 ZINC000684629091 542840077 /nfs/dbraw/zinc/84/00/77/542840077.db2.gz YOTWROITSAMQBS-UHFFFAOYSA-N 0 3 275.392 2.950 20 30 CFEDHN CC[C@@H](C(=O)NCC(C)(C)CCC#N)N(CC)CC ZINC000345741842 393915909 /nfs/dbraw/zinc/91/59/09/393915909.db2.gz IQGJSKXKLLQBIE-ZDUSSCGKSA-N 0 3 267.417 2.553 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC2=CCCC2)CC1 ZINC000120340681 393932769 /nfs/dbraw/zinc/93/27/69/393932769.db2.gz VXYGGZCSIVDSFW-UHFFFAOYSA-N 0 3 291.439 2.827 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1ncccn1)C(C)C ZINC000120619403 393937106 /nfs/dbraw/zinc/93/71/06/393937106.db2.gz GTUUEFQPMAZNQY-CQSZACIVSA-N 0 3 260.385 2.587 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000121036255 393947429 /nfs/dbraw/zinc/94/74/29/393947429.db2.gz MIHGFMJPIYLAMT-AWEZNQCLSA-N 0 3 254.418 2.777 20 30 CFEDHN C=CCSc1ccccc1C(=O)N[C@@H](C)CN(C)C ZINC000346157237 393921700 /nfs/dbraw/zinc/92/17/00/393921700.db2.gz KDVIXJGDSVWAGG-LBPRGKRZSA-N 0 3 278.421 2.645 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000435725255 394018699 /nfs/dbraw/zinc/01/86/99/394018699.db2.gz GAJFDEFLLRQYDS-WFASDCNBSA-N 0 3 294.326 2.805 20 30 CFEDHN C=CC[C@H](CO)NCc1cscc1C(F)(F)F ZINC000352887107 394021084 /nfs/dbraw/zinc/02/10/84/394021084.db2.gz GFFXXTARNYLIHB-SECBINFHSA-N 0 3 265.300 2.794 20 30 CFEDHN CCN(Cc1cccc(OCCCC#N)c1)C[C@H](C)O ZINC000348707975 393956429 /nfs/dbraw/zinc/95/64/29/393956429.db2.gz JVZVUJFHVPPPOP-AWEZNQCLSA-N 0 3 276.380 2.572 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@@H]2CCCOC2)cc1OC ZINC000348719226 393957419 /nfs/dbraw/zinc/95/74/19/393957419.db2.gz ZMGLRKKQIWIDJX-OAHLLOKOSA-N 0 3 291.391 2.871 20 30 CFEDHN C[C@H]1C[C@@H]1N1CCN(Cc2cc(C#N)cs2)C[C@@H](C)C1 ZINC000430133298 393960992 /nfs/dbraw/zinc/96/09/92/393960992.db2.gz YQPBPMMJWLRLOD-WWGRRREGSA-N 0 3 289.448 2.782 20 30 CFEDHN C=CCOc1ccc(CN(C)CCN(C)C2CC2)cc1 ZINC000349410443 393969565 /nfs/dbraw/zinc/96/95/65/393969565.db2.gz UEZQGQNYABXMCH-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN C=C(C)CN1CCC(NCc2ncc(Cl)s2)CC1 ZINC000349647027 393972028 /nfs/dbraw/zinc/97/20/28/393972028.db2.gz RWWVJICOVRCTJD-UHFFFAOYSA-N 0 3 285.844 2.927 20 30 CFEDHN CC(C)[C@H]1CN(c2c(C#N)cnc3ccccc32)CCN1C ZINC000487096926 393983646 /nfs/dbraw/zinc/98/36/46/393983646.db2.gz GNWHMKPWDGHEHX-QGZVFWFLSA-N 0 3 294.402 2.883 20 30 CFEDHN C=CCCN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353156916 394025081 /nfs/dbraw/zinc/02/50/81/394025081.db2.gz UHHKWKCKXXHGJG-OAHLLOKOSA-N 0 3 265.328 2.770 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C#N)s1 ZINC000487251520 393991481 /nfs/dbraw/zinc/99/14/81/393991481.db2.gz ZBIXGWNHTCZAAE-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN COc1ccccc1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000268599180 393993765 /nfs/dbraw/zinc/99/37/65/393993765.db2.gz HZPDPVCEMUHRAS-SUMWQHHRSA-N 0 3 296.370 2.951 20 30 CFEDHN N#Cc1ccc(OCCNC/C=C\c2ccncc2)cc1 ZINC000487303941 393996188 /nfs/dbraw/zinc/99/61/88/393996188.db2.gz AVVQWROEHNXFIG-UPHRSURJSA-N 0 3 279.343 2.635 20 30 CFEDHN C#C[C@H](NC(=N)Nc1ccccn1)c1ccc(F)cc1 ZINC000491387309 394049598 /nfs/dbraw/zinc/04/95/98/394049598.db2.gz XTMABNNPHZJSKG-ZDUSSCGKSA-N 0 3 268.295 2.531 20 30 CFEDHN C#C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC000491438993 394050710 /nfs/dbraw/zinc/05/07/10/394050710.db2.gz HJYFBBVQRVGRBM-OAHLLOKOSA-N 0 3 272.392 2.526 20 30 CFEDHN CC(C)c1nc([C@H]2CCCCCN2C(=O)C(C)C#N)no1 ZINC000355059944 394055701 /nfs/dbraw/zinc/05/57/01/394055701.db2.gz OSVXTUIAHDEQEQ-NWDGAFQWSA-N 0 3 290.367 2.796 20 30 CFEDHN CC[C@H](NCC1(C)OCCCO1)c1ccc(C#N)cc1 ZINC000278693431 394062705 /nfs/dbraw/zinc/06/27/05/394062705.db2.gz KNMPHIVORJDYER-HNNXBMFYSA-N 0 3 274.364 2.752 20 30 CFEDHN COC(=O)c1cc(C(C)C)ccc1NC(=O)C(C)C#N ZINC000355411740 394064873 /nfs/dbraw/zinc/06/48/73/394064873.db2.gz QAXAVQZTZCTWIV-SNVBAGLBSA-N 0 3 274.320 2.695 20 30 CFEDHN C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCCC[C@@H]1C ZINC000437674831 394067885 /nfs/dbraw/zinc/06/78/85/394067885.db2.gz OSZWAQLMWJSOGH-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000492503990 394069695 /nfs/dbraw/zinc/06/96/95/394069695.db2.gz ASHBTIWPLBCTHZ-GFCCVEGCSA-N 0 3 254.374 2.552 20 30 CFEDHN CC(C)[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356196685 394075371 /nfs/dbraw/zinc/07/53/71/394075371.db2.gz ULFDOYLWANQVMH-CYBMUJFWSA-N 0 3 286.297 2.684 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 ZINC000129593924 394091161 /nfs/dbraw/zinc/09/11/61/394091161.db2.gz CSXHMEAIBQWZDF-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](CCC)c2ccccc2)C1=O ZINC000281934141 394097731 /nfs/dbraw/zinc/09/77/31/394097731.db2.gz IGDKISRUJGWVQW-HOTGVXAUSA-N 0 3 272.392 2.904 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1ccc(C#N)c(C)n1)C(C)C ZINC000487909727 394030073 /nfs/dbraw/zinc/03/00/73/394030073.db2.gz NKYNQCWDJYDPFF-KRWDZBQOSA-N 0 3 298.434 2.794 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@H]2C)CC1 ZINC000358974410 394118188 /nfs/dbraw/zinc/11/81/88/394118188.db2.gz IDQPOUGTMHUHRK-HUUCEWRRSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000359093698 394123497 /nfs/dbraw/zinc/12/34/97/394123497.db2.gz HIJITAUWUMZVNQ-CHWSQXEVSA-N 0 3 278.421 2.884 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@H](C)C[C@H](CO)C1 ZINC000420940487 394131891 /nfs/dbraw/zinc/13/18/91/394131891.db2.gz MWBOIRXKQHLEBN-IPYPFGDCSA-N 0 3 258.365 2.570 20 30 CFEDHN CC(C#N)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC000359537158 394137082 /nfs/dbraw/zinc/13/70/82/394137082.db2.gz YZDYUKJXUWHJEO-ZDUSSCGKSA-N 0 3 294.354 2.727 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(Cn3cccn3)c2)C1 ZINC000442708597 394139087 /nfs/dbraw/zinc/13/90/87/394139087.db2.gz JUBLLWLCWOSXAD-RHSMWYFYSA-N 0 3 280.375 2.713 20 30 CFEDHN CC#CCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000360434933 394152346 /nfs/dbraw/zinc/15/23/46/394152346.db2.gz BEGNECAMZGQLAZ-UHFFFAOYSA-N 0 3 265.360 2.644 20 30 CFEDHN C[C@]1(CNC(=O)CCCC#N)CCCN1Cc1ccccc1 ZINC000360653841 394156736 /nfs/dbraw/zinc/15/67/36/394156736.db2.gz RLGRQLDUMRUBLM-GOSISDBHSA-N 0 3 299.418 2.851 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](CCO)CC2)cc1C#N ZINC000421017490 394158771 /nfs/dbraw/zinc/15/87/71/394158771.db2.gz NIJXIIYYJXCIFN-CQSZACIVSA-N 0 3 288.391 2.551 20 30 CFEDHN CNC(=O)C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000360922938 394161498 /nfs/dbraw/zinc/16/14/98/394161498.db2.gz ZNMISPSWNSKELK-BPUTZDHNSA-N 0 3 285.391 2.536 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000448685965 394166660 /nfs/dbraw/zinc/16/66/60/394166660.db2.gz DOZWSWSUBOREHW-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN CCCN(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000133238098 394171533 /nfs/dbraw/zinc/17/15/33/394171533.db2.gz KSRKCJZXINLTDV-UHFFFAOYSA-N 0 3 254.337 2.580 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287269437 394203557 /nfs/dbraw/zinc/20/35/57/394203557.db2.gz HQJHZIUPWUSPOO-PBHICJAKSA-N 0 3 297.402 2.564 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(C)C ZINC000421384802 394214278 /nfs/dbraw/zinc/21/42/78/394214278.db2.gz PGUOGWQVXJEODV-LSDHHAIUSA-N 0 3 264.344 2.582 20 30 CFEDHN Cc1cc(CNCc2ccc(C#N)cc2)cc(C)n1 ZINC000421388020 394216323 /nfs/dbraw/zinc/21/63/23/394216323.db2.gz STJKIXIOMPFTQK-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](CCO)CC2)s1 ZINC000421392109 394218517 /nfs/dbraw/zinc/21/85/17/394218517.db2.gz BPPHIDUJEGNAEC-LBPRGKRZSA-N 0 3 264.394 2.604 20 30 CFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=CCCC1 ZINC000150961876 394257078 /nfs/dbraw/zinc/25/70/78/394257078.db2.gz MFTKZZINNXHEFC-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN CN(C)Cc1ccc(CNCc2ccc(C#N)o2)cc1F ZINC000136074675 394229524 /nfs/dbraw/zinc/22/95/24/394229524.db2.gz AAACQWZVNAOKOY-UHFFFAOYSA-N 0 3 287.338 2.642 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000366178478 394240546 /nfs/dbraw/zinc/24/05/46/394240546.db2.gz LOUNTAVRKGDADC-AEFFLSMTSA-N 0 3 297.402 2.615 20 30 CFEDHN Cc1nc(NC[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000291597629 394247632 /nfs/dbraw/zinc/24/76/32/394247632.db2.gz IEWRNTHYPWPWSN-MRXNPFEDSA-N 0 3 280.375 2.977 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@]3(C2)CCCOC3)cc1 ZINC000366948864 394249349 /nfs/dbraw/zinc/24/93/49/394249349.db2.gz ZQRRDUCBAFINRJ-KRWDZBQOSA-N 0 3 273.351 2.680 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000448807776 394190248 /nfs/dbraw/zinc/19/02/48/394190248.db2.gz BNOCXRNOADICNX-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000363410090 394195926 /nfs/dbraw/zinc/19/59/26/394195926.db2.gz CCDRUSKSXQBOOS-CVEARBPZSA-N 0 3 256.349 2.702 20 30 CFEDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000493551976 394276072 /nfs/dbraw/zinc/27/60/72/394276072.db2.gz STGORFDILZPBEK-GJZGRUSLSA-N 0 3 278.783 2.852 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000493567009 394280139 /nfs/dbraw/zinc/28/01/39/394280139.db2.gz ZGDAYAVZBJYFAW-JJEJIETFSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCC1(CNCc2ccnc(OC)n2)CCCC1 ZINC000449602334 394282483 /nfs/dbraw/zinc/28/24/83/394282483.db2.gz CNTMDAMYPNLLAI-UHFFFAOYSA-N 0 3 261.369 2.711 20 30 CFEDHN C=CCN1CCN(c2ccccc2OC)CC[C@H]1C ZINC000372195948 394307438 /nfs/dbraw/zinc/30/74/38/394307438.db2.gz HACHEBKSBMNOFM-CQSZACIVSA-N 0 3 260.381 2.782 20 30 CFEDHN CC(C)(C)NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155715993 394322124 /nfs/dbraw/zinc/32/21/24/394322124.db2.gz ZVZZUXXXWREZQO-VIFPVBQESA-N 0 3 285.269 2.622 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN(CC3=CCCCC3)C2)nc1 ZINC000451055967 394352298 /nfs/dbraw/zinc/35/22/98/394352298.db2.gz NBWKWVWNWTYMQD-MRXNPFEDSA-N 0 3 283.375 2.907 20 30 CFEDHN COc1cccc(COCCNCc2ccc(C#N)cc2)c1 ZINC000158616457 394359087 /nfs/dbraw/zinc/35/90/87/394359087.db2.gz ZYWDYHMGGVPMKV-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN CC(C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174577155 394379029 /nfs/dbraw/zinc/37/90/29/394379029.db2.gz WFPMMJOSBFEXHI-INIZCTEOSA-N 0 3 257.381 2.525 20 30 CFEDHN CC(C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174577165 394379055 /nfs/dbraw/zinc/37/90/55/394379055.db2.gz WFPMMJOSBFEXHI-MRXNPFEDSA-N 0 3 257.381 2.525 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000520955947 394380966 /nfs/dbraw/zinc/38/09/66/394380966.db2.gz ZDOBZQRMGUHZOK-AGIUHOORSA-N 0 3 290.798 2.596 20 30 CFEDHN C[C@H](NCC1=CCOCC1)c1ccc(C#N)cc1F ZINC000453301441 394383329 /nfs/dbraw/zinc/38/33/29/394383329.db2.gz YOSPKTVCLVSIAY-NSHDSACASA-N 0 3 260.312 2.695 20 30 CFEDHN C[C@@H](NCCC1(CO)CC1)c1ccc(C#N)cc1F ZINC000453331287 394386584 /nfs/dbraw/zinc/38/65/84/394386584.db2.gz FEIUMUHEZPVGOJ-LLVKDONJSA-N 0 3 262.328 2.511 20 30 CFEDHN CN(CCCCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178424918 394387928 /nfs/dbraw/zinc/38/79/28/394387928.db2.gz DQEYTKBNHNKNDH-GOSISDBHSA-N 0 3 264.394 2.550 20 30 CFEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H](O)CC ZINC000453347120 394388397 /nfs/dbraw/zinc/38/83/97/394388397.db2.gz FFQSTAWRYNTCRS-KMUNFCNLSA-N 0 3 264.344 2.897 20 30 CFEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@H]2CC)C1=O ZINC000685001191 542885756 /nfs/dbraw/zinc/88/57/56/542885756.db2.gz QFDSKZVKZQICIT-SJORKVTESA-N 0 3 284.403 2.783 20 30 CFEDHN C=CCN1CC[C@H](N(C2CC2)C2CCCCC2)C1=O ZINC000685000405 542885987 /nfs/dbraw/zinc/88/59/87/542885987.db2.gz GRZDKISBCZSTSH-HNNXBMFYSA-N 0 3 262.397 2.570 20 30 CFEDHN CCC#C[C@H](C)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000685582240 542930884 /nfs/dbraw/zinc/93/08/84/542930884.db2.gz LBWWCTVPINWHRK-UAGQMJEPSA-N 0 3 256.393 2.823 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000685599550 542933251 /nfs/dbraw/zinc/93/32/51/542933251.db2.gz OCWDZUNUCMHBIQ-IRXDYDNUSA-N 0 3 287.403 2.607 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)c1cc(C#N)cs1 ZINC000555899730 394985494 /nfs/dbraw/zinc/98/54/94/394985494.db2.gz NAHQMVUTQGLRQZ-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000556885359 395023571 /nfs/dbraw/zinc/02/35/71/395023571.db2.gz XBDKBLYKJHIPQU-KGLIPLIRSA-N 0 3 264.394 2.745 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(Cl)c1 ZINC000594426674 395103355 /nfs/dbraw/zinc/10/33/55/395103355.db2.gz QUGGVJQLBFVWEG-LBPRGKRZSA-N 0 3 265.744 2.690 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc2cc(Cl)cnc2o1 ZINC000648822549 395328077 /nfs/dbraw/zinc/32/80/77/395328077.db2.gz XDONCPMDFITGTQ-GFCCVEGCSA-N 0 3 280.755 2.898 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(OC2CCCCC2)CC1 ZINC000649272799 395466009 /nfs/dbraw/zinc/46/60/09/395466009.db2.gz YTBYYVIZMMPSNP-INIZCTEOSA-N 0 3 267.413 2.737 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCNCC1(C)C)c1ccccc1 ZINC000649273297 395466380 /nfs/dbraw/zinc/46/63/80/395466380.db2.gz AZXDKZHDTFRTEM-AWEZNQCLSA-N 0 3 272.392 2.557 20 30 CFEDHN C=C[C@H](CC(=O)N1CCNCC1(C)C)c1ccccc1 ZINC000649273298 395466591 /nfs/dbraw/zinc/46/65/91/395466591.db2.gz AZXDKZHDTFRTEM-CQSZACIVSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCNC(=O)CN1CCC2(CCc3ccccc3C2)CC1 ZINC000649647931 395545608 /nfs/dbraw/zinc/54/56/08/395545608.db2.gz CIJOTTQFWBSPAY-UHFFFAOYSA-N 0 3 298.430 2.560 20 30 CFEDHN CC#CCCN1CCC(c2ccc(OC)cn2)CC1 ZINC000649651105 395546083 /nfs/dbraw/zinc/54/60/83/395546083.db2.gz YHSGJNOHACFGMM-UHFFFAOYSA-N 0 3 258.365 2.683 20 30 CFEDHN C=CCCCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000649589690 395533632 /nfs/dbraw/zinc/53/36/32/395533632.db2.gz QSJKTAJWESADKA-VXGBXAGGSA-N 0 3 265.319 2.835 20 30 CFEDHN CC1(C#N)CCN(CCOCc2ccccc2)CC1 ZINC000309920453 413081182 /nfs/dbraw/zinc/08/11/82/413081182.db2.gz VSYYCZVJHPYPNN-UHFFFAOYSA-N 0 3 258.365 2.829 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(CC)CCOC2)cc1 ZINC000381194033 543084837 /nfs/dbraw/zinc/08/48/37/543084837.db2.gz JIMDUDUEULGZLO-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN N#Cc1ccnc(N2CC[C@@H](N3CCCCC3)C2)c1Cl ZINC000236029494 397626682 /nfs/dbraw/zinc/62/66/82/397626682.db2.gz JBUFQDOITJMIJL-CYBMUJFWSA-N 0 3 290.798 2.671 20 30 CFEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000411635219 413233462 /nfs/dbraw/zinc/23/34/62/413233462.db2.gz BGJHFSJMZLDBGA-ZDUSSCGKSA-N 0 3 294.443 2.868 20 30 CFEDHN CO[C@](C)(CNCc1ccc(C#N)cc1F)C1CC1 ZINC000291058036 286146118 /nfs/dbraw/zinc/14/61/18/286146118.db2.gz OQRMWMUGMXWTDT-OAHLLOKOSA-N 0 3 262.328 2.602 20 30 CFEDHN N#Cc1ccc(CN(CCO)C2CCC2)c(C(F)(F)F)c1 ZINC000356434153 155264315 /nfs/dbraw/zinc/26/43/15/155264315.db2.gz WEAIHOQLQAVXSX-UHFFFAOYSA-N 0 3 298.308 2.924 20 30 CFEDHN COC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC000356847019 155392724 /nfs/dbraw/zinc/39/27/24/155392724.db2.gz NPOMZPGRFKHBEM-LLVKDONJSA-N 0 3 262.328 2.917 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000345694355 154241738 /nfs/dbraw/zinc/24/17/38/154241738.db2.gz AQNUZLPPYLJHBR-TVYUQYBPSA-N 0 3 264.394 2.769 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1F)[C@@H]1CCCOC1 ZINC000348138637 154336135 /nfs/dbraw/zinc/33/61/35/154336135.db2.gz FZZSBDQAPDVBHK-BXUZGUMPSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000355780450 155085193 /nfs/dbraw/zinc/08/51/93/155085193.db2.gz WEZAELWWLVXGKK-BXUZGUMPSA-N 0 3 262.328 2.602 20 30 CFEDHN Cc1ccc2c(c1)CN(C(=O)C(C)C#N)C(C)(C)C2 ZINC000336444448 292323384 /nfs/dbraw/zinc/32/33/84/292323384.db2.gz OWBVIWUTYCRWHA-GFCCVEGCSA-N 0 3 256.349 2.818 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360206127 156050453 /nfs/dbraw/zinc/05/04/53/156050453.db2.gz YSFONPFELJLFTR-RHSMWYFYSA-N 0 3 299.418 2.652 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000363525336 156179369 /nfs/dbraw/zinc/17/93/69/156179369.db2.gz NIVDHJNDNMGUFY-KRWDZBQOSA-N 0 3 297.402 2.535 20 30 CFEDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000364019091 156216174 /nfs/dbraw/zinc/21/61/74/156216174.db2.gz HHFBFVDEDCNERT-ZWKOTPCHSA-N 0 3 297.402 2.534 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@@H]2CCc3ccccc32)C1=O ZINC000660464753 413335865 /nfs/dbraw/zinc/33/58/65/413335865.db2.gz SRQGWBYSTREREX-WMZOPIPTSA-N 0 3 298.430 2.825 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000374690566 157150340 /nfs/dbraw/zinc/15/03/40/157150340.db2.gz AIXUQSDZZOFLLT-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000375105681 157196993 /nfs/dbraw/zinc/19/69/93/157196993.db2.gz OHJOGUPDXOZUQD-AWEZNQCLSA-N 0 3 258.365 2.807 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1 ZINC000375292369 157219206 /nfs/dbraw/zinc/21/92/06/157219206.db2.gz MNTCBAXTVCCVCI-MRXNPFEDSA-N 0 3 256.349 2.561 20 30 CFEDHN COCC[C@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000375451765 157246507 /nfs/dbraw/zinc/24/65/07/157246507.db2.gz ZIEPOXDDRWJRTR-CQSZACIVSA-N 0 3 275.396 2.535 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)CCc2ccccc2)nn1 ZINC000657285557 413396605 /nfs/dbraw/zinc/39/66/05/413396605.db2.gz JFCFDWBTTYPVPA-OAHLLOKOSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCCn1cc(CNCCCc2ccccc2)nn1 ZINC000657286750 413398464 /nfs/dbraw/zinc/39/84/64/413398464.db2.gz SOZLAGHSABPKNE-UHFFFAOYSA-N 0 3 270.380 2.577 20 30 CFEDHN C=CCN(CCOC)CCc1noc2ccccc21 ZINC000653638442 413419512 /nfs/dbraw/zinc/41/95/12/413419512.db2.gz YQLJTRJBHKQZFI-UHFFFAOYSA-N 0 3 260.337 2.505 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)C2CC2)CC1 ZINC000660597470 413421567 /nfs/dbraw/zinc/42/15/67/413421567.db2.gz PNRGZNRBMXKFLT-HNNXBMFYSA-N 0 3 279.428 2.515 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2)s1 ZINC000343659840 161834142 /nfs/dbraw/zinc/83/41/42/161834142.db2.gz BWAQSGNVZYWZNW-CQSZACIVSA-N 0 3 286.400 2.561 20 30 CFEDHN Cc1cc(C#N)cc(N(C)CCCN(C)Cc2ccco2)n1 ZINC000343813991 161867637 /nfs/dbraw/zinc/86/76/37/161867637.db2.gz QTURBIFNIHNOQT-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN CC[C@@H](C[C@H](C)CO)NCc1ccc(C#N)cc1F ZINC000344605672 162078525 /nfs/dbraw/zinc/07/85/25/162078525.db2.gz MZQCJOUABDFICA-FZMZJTMJSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@]1(CCCO)CCCN1Cc1cccc(C#N)c1F ZINC000345937656 162280115 /nfs/dbraw/zinc/28/01/15/162280115.db2.gz RDBYAJVGTLKSDB-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN C[C@H]1CCCC[C@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000346140190 162328057 /nfs/dbraw/zinc/32/80/57/162328057.db2.gz XCFCYDVTVOTOGM-RDJZCZTQSA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000346190355 162345263 /nfs/dbraw/zinc/34/52/63/162345263.db2.gz OTKPVGHDPVGQAO-NSHDSACASA-N 0 3 291.370 2.653 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000346201061 162348243 /nfs/dbraw/zinc/34/82/43/162348243.db2.gz XAKGKLNEDYVTNO-GJZGRUSLSA-N 0 3 296.418 2.725 20 30 CFEDHN CC(C)OC1CC(NCc2ccc(C#N)s2)C1 ZINC000349811997 163020064 /nfs/dbraw/zinc/02/00/64/163020064.db2.gz JHUPPJWVZXGABV-UHFFFAOYSA-N 0 3 250.367 2.665 20 30 CFEDHN N#Cc1csc(CNCCc2c[nH]c3ccccc23)n1 ZINC000352835507 163246985 /nfs/dbraw/zinc/24/69/85/163246985.db2.gz PZJQFIINXSGHNC-UHFFFAOYSA-N 0 3 282.372 2.828 20 30 CFEDHN C[C@@H](O)CCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352842103 163249753 /nfs/dbraw/zinc/24/97/53/163249753.db2.gz ANCKTEHLCKNUQZ-SNVBAGLBSA-N 0 3 286.297 2.828 20 30 CFEDHN CC(C)(C)[C@H]1OCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352847527 163251285 /nfs/dbraw/zinc/25/12/85/163251285.db2.gz UQVWOFOAAZTZCF-FZMZJTMJSA-N 0 3 293.436 2.946 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H](O)Cc1ccccc1)CC2 ZINC000353431501 163363675 /nfs/dbraw/zinc/36/36/75/163363675.db2.gz ZKXNTUNYVCBRAS-IEBWSBKVSA-N 0 3 292.382 2.739 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293482896 287142449 /nfs/dbraw/zinc/14/24/49/287142449.db2.gz SBFXEWLRCUZWPG-MJBXVCDLSA-N 0 3 257.381 2.644 20 30 CFEDHN C#CCOc1ccccc1CNCCCOC(C)C ZINC000020198439 171062693 /nfs/dbraw/zinc/06/26/93/171062693.db2.gz VYBILPQBXZTDSA-UHFFFAOYSA-N 0 3 261.365 2.603 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@](C)(CC)C2CC2)CC1 ZINC000664014998 413513898 /nfs/dbraw/zinc/51/38/98/413513898.db2.gz CEUNEXZKOWXXFF-QGZVFWFLSA-N 0 3 293.455 2.905 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccccc1 ZINC000035111748 171985788 /nfs/dbraw/zinc/98/57/88/171985788.db2.gz MCHORFHERKOQIQ-KRWDZBQOSA-N 0 3 281.355 2.522 20 30 CFEDHN CC[C@@H](NCC#Cc1ccccc1)[C@H]1CCCCO1 ZINC000653874053 413552779 /nfs/dbraw/zinc/55/27/79/413552779.db2.gz AGSSUKQXFRJVHG-IAGOWNOFSA-N 0 3 257.377 2.975 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285057134 196187458 /nfs/dbraw/zinc/18/74/58/196187458.db2.gz ISPGAVFVJJOOMG-SNVBAGLBSA-N 0 3 281.381 2.747 20 30 CFEDHN C=CC[C@H](CO)NCc1cn(-c2cccc(C)c2)nc1C ZINC000651761321 413623769 /nfs/dbraw/zinc/62/37/69/413623769.db2.gz NSLHIJFVHPSMCI-MRXNPFEDSA-N 0 3 285.391 2.516 20 30 CFEDHN C=CCCn1cc(CNCC2(COC)CCCCC2)nn1 ZINC000657469946 413647640 /nfs/dbraw/zinc/64/76/40/413647640.db2.gz KPJBJGJFDXMSEB-UHFFFAOYSA-N 0 3 292.427 2.541 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCC[C@H]2CC)nn1 ZINC000657478834 413660520 /nfs/dbraw/zinc/66/05/20/413660520.db2.gz OXINOTJTLCSMTR-ZIAGYGMSSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000660835047 413607015 /nfs/dbraw/zinc/60/70/15/413607015.db2.gz CQDRGPDGBZRZEJ-QLFBSQMISA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856196 413619461 /nfs/dbraw/zinc/61/94/61/413619461.db2.gz FUDMUAQMEBYELI-QGZVFWFLSA-N 0 3 299.418 2.754 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cncnc1OC ZINC000657530177 413713233 /nfs/dbraw/zinc/71/32/33/413713233.db2.gz NFLVCEFSGOLIAJ-GXTWGEPZSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000664368490 413715689 /nfs/dbraw/zinc/71/56/89/413715689.db2.gz SPLQFXIZDQNYHD-QWHCGFSZSA-N 0 3 279.428 2.656 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@H](OCC)C1 ZINC000657611074 413793810 /nfs/dbraw/zinc/79/38/10/413793810.db2.gz UYNSHBRSBZJRAT-SHTZXODSSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOCCCNCc1ccnn1-c1ccccc1 ZINC000657659195 413827930 /nfs/dbraw/zinc/82/79/30/413827930.db2.gz QSOLRZMLVAAIJV-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=CCN(CCc1ncc(C)cc1C)[C@H](C)COC ZINC000661241016 413842921 /nfs/dbraw/zinc/84/29/21/413842921.db2.gz UZARSIOYLGMAPT-OAHLLOKOSA-N 0 3 262.397 2.764 20 30 CFEDHN C=CCN(CCC(=O)NCC1CCCCC1)[C@@H](C)COC ZINC000661242730 413844637 /nfs/dbraw/zinc/84/46/37/413844637.db2.gz FFOXPVQQUMPMIV-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN(CCOc1ccccc1OC)[C@H](C)COC ZINC000661242529 413845898 /nfs/dbraw/zinc/84/58/98/413845898.db2.gz BVZGJSOYMZTPKN-CQSZACIVSA-N 0 3 279.380 2.597 20 30 CFEDHN C=CCN(CCc1ccc(OC)cc1)[C@@H](C)COC ZINC000661249085 413849546 /nfs/dbraw/zinc/84/95/46/413849546.db2.gz ZJVGIKUXNWHHMG-AWEZNQCLSA-N 0 3 263.381 2.761 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000661379356 413936110 /nfs/dbraw/zinc/93/61/10/413936110.db2.gz XHARMGVOSFEUSV-KGLIPLIRSA-N 0 3 266.429 2.968 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000657791368 413938172 /nfs/dbraw/zinc/93/81/72/413938172.db2.gz WUYDCNNFJZUHEC-GXTWGEPZSA-N 0 3 279.380 2.509 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000661378486 413938929 /nfs/dbraw/zinc/93/89/29/413938929.db2.gz HLISBGAEDCHOKB-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CC[C@H]1CCCN(CCn2cc(Cl)cn2)C1 ZINC000661386362 413940527 /nfs/dbraw/zinc/94/05/27/413940527.db2.gz SAMIXQYWPVIIIP-LBPRGKRZSA-N 0 3 253.777 2.825 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000661386797 413942309 /nfs/dbraw/zinc/94/23/09/413942309.db2.gz USZQQMWZXVUVHM-CYBMUJFWSA-N 0 3 286.379 2.863 20 30 CFEDHN C=CC[C@H]1CCCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000661387338 413944342 /nfs/dbraw/zinc/94/43/42/413944342.db2.gz XYVYXKXRLGEFOP-WDEREUQCSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000661419763 413966376 /nfs/dbraw/zinc/96/63/76/413966376.db2.gz QJFUQXXNBNDJQO-BZUAXINKSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000664869225 413987249 /nfs/dbraw/zinc/98/72/49/413987249.db2.gz LUBVKTULLSZHQQ-GOEBONIOSA-N 0 3 289.423 2.862 20 30 CFEDHN C=CCC[C@H](NCCNC(=O)c1ccco1)c1ccco1 ZINC000285625641 196348141 /nfs/dbraw/zinc/34/81/41/196348141.db2.gz KZHPYGPPDOUIFN-ZDUSSCGKSA-N 0 3 288.347 2.900 20 30 CFEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037173168 173006269 /nfs/dbraw/zinc/00/62/69/173006269.db2.gz HGNMEXLYJPHFPD-OLZOCXBDSA-N 0 3 273.380 2.863 20 30 CFEDHN C=CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000661570674 414053568 /nfs/dbraw/zinc/05/35/68/414053568.db2.gz JOBMVHRCZRIGPR-MRXNPFEDSA-N 0 3 287.407 2.699 20 30 CFEDHN C[C@H](NC[C@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000037257507 173068754 /nfs/dbraw/zinc/06/87/54/173068754.db2.gz JDYBPJMZOCACTN-GUYCJALGSA-N 0 3 266.344 2.942 20 30 CFEDHN CCC[C@@]1(NCc2ccc(OC)c(C#N)c2)CCOC1 ZINC000285709566 196374329 /nfs/dbraw/zinc/37/43/29/196374329.db2.gz WIWUDPCLGHLQDJ-MRXNPFEDSA-N 0 3 274.364 2.616 20 30 CFEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000285773253 196393899 /nfs/dbraw/zinc/39/38/99/196393899.db2.gz UCJSGBKQABJUPV-XGWLTEMNSA-N 0 3 299.418 2.902 20 30 CFEDHN C=CCN1CC[C@H](N2CCCC(CC)(CC)C2)C1=O ZINC000661672890 414124862 /nfs/dbraw/zinc/12/48/62/414124862.db2.gz QKMOETMKENCBGI-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(CC(=O)N1CCc2ccccc2C1)C(C)(C)C ZINC000661755455 414193537 /nfs/dbraw/zinc/19/35/37/414193537.db2.gz MPEVATNALSPOAY-UHFFFAOYSA-N 0 3 286.419 2.858 20 30 CFEDHN C=CCN(CC(=O)N(C(C)C)C(C)C)C(C)(C)C ZINC000661755691 414194956 /nfs/dbraw/zinc/19/49/56/414194956.db2.gz ONJYLKJWHAEFNA-UHFFFAOYSA-N 0 3 254.418 2.918 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC)c(Cl)c1 ZINC000665237210 414197133 /nfs/dbraw/zinc/19/71/33/414197133.db2.gz IGJBBGCLCKGAHT-CYBMUJFWSA-N 0 3 269.772 2.717 20 30 CFEDHN O[C@@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000661831262 414247250 /nfs/dbraw/zinc/24/72/50/414247250.db2.gz NBHBKYALYFJWJH-LSDHHAIUSA-N 0 3 275.779 2.585 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000665384286 414311232 /nfs/dbraw/zinc/31/12/32/414311232.db2.gz ATDKLVPWGNPASF-PMPSAXMXSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC1(CC(C)C)CC1 ZINC000662071552 414396657 /nfs/dbraw/zinc/39/66/57/414396657.db2.gz VSICUGWTQGBUAF-CQSZACIVSA-N 0 3 266.429 2.968 20 30 CFEDHN C=C[C@H](C)NCc1cn(-c2ccccc2F)nc1C ZINC000655749689 414408906 /nfs/dbraw/zinc/40/89/06/414408906.db2.gz XBIGSLCUZLSTRI-NSHDSACASA-N 0 3 259.328 2.984 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H](C2CCCCC2)C1 ZINC000662203529 414456947 /nfs/dbraw/zinc/45/69/47/414456947.db2.gz XYWSYQGCPCXJSF-OAHLLOKOSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCc2c(nnn2C)C1)c1ccco1 ZINC000655825697 414462081 /nfs/dbraw/zinc/46/20/81/414462081.db2.gz AOJZVASPQPVBTL-STQMWFEESA-N 0 3 286.379 2.563 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCC(C)CC1 ZINC000662083066 414400381 /nfs/dbraw/zinc/40/03/81/414400381.db2.gz ZLUPWSORNIKLSU-OAGGEKHMSA-N 0 3 276.424 2.816 20 30 CFEDHN C(#Cc1ccccc1)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309744 414503278 /nfs/dbraw/zinc/50/32/78/414503278.db2.gz NIONQCDOJGXJKJ-KDURUIRLSA-N 0 3 281.399 2.931 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000662634167 414581706 /nfs/dbraw/zinc/58/17/06/414581706.db2.gz DPFSGOJEJOBROP-ZDUSSCGKSA-N 0 3 270.376 2.718 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000662637298 414582716 /nfs/dbraw/zinc/58/27/16/414582716.db2.gz VKHBVLZZJRVFMM-GDBMZVCRSA-N 0 3 272.392 2.544 20 30 CFEDHN C=CCCC(C)(C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000662952024 414637105 /nfs/dbraw/zinc/63/71/05/414637105.db2.gz BQCZSAPXMXYJIQ-CQSZACIVSA-N 0 3 260.381 2.938 20 30 CFEDHN C=CCCC(C)(C)NC(=O)c1cccc2c1CNC2 ZINC000662953676 414637834 /nfs/dbraw/zinc/63/78/34/414637834.db2.gz OGAYVTXIKNAJNH-UHFFFAOYSA-N 0 3 258.365 2.764 20 30 CFEDHN C=CCC[C@@H](NCCN1CCOCC1(C)C)c1ccco1 ZINC000286190850 196521618 /nfs/dbraw/zinc/52/16/18/196521618.db2.gz RHOROYVAJRVKGI-OAHLLOKOSA-N 0 3 292.423 2.987 20 30 CFEDHN C[C@H]1CCCCN1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000044532893 175196030 /nfs/dbraw/zinc/19/60/30/175196030.db2.gz GQYMQLVAEMOARR-CDNLZTBQSA-N 0 3 297.402 2.562 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(OCC)cc1 ZINC000046342230 175395745 /nfs/dbraw/zinc/39/57/45/175395745.db2.gz XQOAVISHKRTGST-OAHLLOKOSA-N 0 3 293.407 2.723 20 30 CFEDHN N#Cc1c(F)cccc1NC1CCN(C2CC2)CC1 ZINC000048405490 175432783 /nfs/dbraw/zinc/43/27/83/175432783.db2.gz AQPAKFKYHJKAJR-UHFFFAOYSA-N 0 3 259.328 2.736 20 30 CFEDHN N#Cc1nccnc1NC[C@H](c1cccs1)N1CCCC1 ZINC000072082109 176313252 /nfs/dbraw/zinc/31/32/52/176313252.db2.gz VWDIYSCJZVWDCH-CYBMUJFWSA-N 0 3 299.403 2.659 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345038776 225260145 /nfs/dbraw/zinc/26/01/45/225260145.db2.gz VANDNWMJMPHEIE-CABCVRRESA-N 0 3 299.418 2.905 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000347041479 226024081 /nfs/dbraw/zinc/02/40/81/226024081.db2.gz UAVUUBQHGXXZNR-NOZJJQNGSA-N 0 3 294.301 2.941 20 30 CFEDHN CC(C#N)C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000347103231 226050170 /nfs/dbraw/zinc/05/01/70/226050170.db2.gz ITXIFUIEQZTHMO-XJKSGUPXSA-N 0 3 286.375 2.747 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000347200542 226084038 /nfs/dbraw/zinc/08/40/38/226084038.db2.gz YCYSERCLOIDTIL-ZETCQYMHSA-N 0 3 288.681 2.717 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000347035826 226023207 /nfs/dbraw/zinc/02/32/07/226023207.db2.gz LJWNVPRMCMEMGC-LLVKDONJSA-N 0 3 299.305 2.789 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000336474358 227045569 /nfs/dbraw/zinc/04/55/69/227045569.db2.gz JIURWBRVDHDHIB-MRVPVSSYSA-N 0 3 268.719 2.990 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000352606442 227103876 /nfs/dbraw/zinc/10/38/76/227103876.db2.gz HBZKWHIKCIFTIT-LBPRGKRZSA-N 0 3 265.316 2.524 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000336587101 227140579 /nfs/dbraw/zinc/14/05/79/227140579.db2.gz KPTVIYSCMGUCAP-VIFPVBQESA-N 0 3 264.275 2.620 20 30 CFEDHN Cc1cc(CCNCc2cccc(OCCCC#N)c2)on1 ZINC000353086042 228039144 /nfs/dbraw/zinc/03/91/44/228039144.db2.gz IRLGKJJTXOKCCO-UHFFFAOYSA-N 0 3 299.374 2.998 20 30 CFEDHN C[C@H](NC(=O)CN[C@@H]1CCO[C@H]1C1CC1)c1cccs1 ZINC000330267903 228086302 /nfs/dbraw/zinc/08/63/02/228086302.db2.gz QUICAIAATCSYDN-NVBFEUDRSA-N 0 3 294.420 2.923 20 30 CFEDHN Cn1cc(CNC(=O)[C@@H]2CCCCN2C2CCCC2)cn1 ZINC000330311621 228135505 /nfs/dbraw/zinc/13/55/05/228135505.db2.gz VWAJYQDZQRFOFF-HNNXBMFYSA-N 0 3 290.411 2.674 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000335974693 228172349 /nfs/dbraw/zinc/17/23/49/228172349.db2.gz VYJOYLYHNYKTMI-BXUZGUMPSA-N 0 3 260.312 2.519 20 30 CFEDHN Cc1ccccc1C[C@@H]1CCCN1C(=O)C(C)C#N ZINC000336001176 228177071 /nfs/dbraw/zinc/17/70/71/228177071.db2.gz UEFWEBMEHNTVLF-HIFRSBDPSA-N 0 3 256.349 2.688 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000336112504 228189870 /nfs/dbraw/zinc/18/98/70/228189870.db2.gz XPHXKUWECFRTAV-SNVBAGLBSA-N 0 3 277.755 2.601 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)CC3)n1 ZINC000333301485 228196304 /nfs/dbraw/zinc/19/63/04/228196304.db2.gz LWXYRPAKNUOVJP-ZDUSSCGKSA-N 0 3 297.383 2.934 20 30 CFEDHN CC[C@H](CC#N)N[C@H](CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716238320 782034076 /nfs/dbraw/zinc/03/40/76/782034076.db2.gz XEZXQRBCFLAAST-ZIAGYGMSSA-N 0 3 295.427 2.914 20 30 CFEDHN CC(C)(C)OC(=O)[C@]1(C)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000332394672 260005563 /nfs/dbraw/zinc/00/55/63/260005563.db2.gz SIVAAGIWFIHHBY-HEHGZKQESA-N 0 3 278.396 2.732 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000116940565 260007818 /nfs/dbraw/zinc/00/78/18/260007818.db2.gz YIZKWPLUPYGURF-ZDUSSCGKSA-N 0 3 275.396 2.512 20 30 CFEDHN C=CCC[C@H](O)CN1CCc2ccc(C(C)=O)cc2CC1 ZINC000371044622 260028990 /nfs/dbraw/zinc/02/89/90/260028990.db2.gz RTRSBZJXDCKTKK-SFHVURJKSA-N 0 3 287.403 2.617 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2COCC2(C)C)cc1 ZINC000313063683 260242891 /nfs/dbraw/zinc/24/28/91/260242891.db2.gz OJYPYACYGXELEF-HNNXBMFYSA-N 0 3 261.365 2.766 20 30 CFEDHN CC[C@@H]1CN2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000363467339 260263642 /nfs/dbraw/zinc/26/36/42/260263642.db2.gz JHKXMPAYDYWIIX-CABCVRRESA-N 0 3 263.429 2.875 20 30 CFEDHN C=CC[C@H](CO)CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449212570 260295615 /nfs/dbraw/zinc/29/56/15/260295615.db2.gz ZUPIZNJOFDPGHS-CABZTGNLSA-N 0 3 285.309 2.865 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000313505584 260299398 /nfs/dbraw/zinc/29/93/98/260299398.db2.gz YGMSAINLCUDRAE-LBPRGKRZSA-N 0 3 258.369 2.963 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1nnc2ccccn21 ZINC000449231136 260300799 /nfs/dbraw/zinc/30/07/99/260300799.db2.gz NMIJSBCPKMEINS-CYBMUJFWSA-N 0 3 258.369 2.954 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000090451374 260359809 /nfs/dbraw/zinc/35/98/09/260359809.db2.gz UPVDEEXJBXHAFB-GFCCVEGCSA-N 0 3 263.337 2.659 20 30 CFEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000127268875 260362216 /nfs/dbraw/zinc/36/22/16/260362216.db2.gz YIFIECMBIDZIGZ-HUUCEWRRSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000448388413 261138176 /nfs/dbraw/zinc/13/81/76/261138176.db2.gz 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/nfs/dbraw/zinc/32/28/22/261322822.db2.gz RDNNHKIYJMYJCL-HOCLYGCPSA-N 0 3 293.455 2.905 20 30 CFEDHN C#CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000491279211 261398531 /nfs/dbraw/zinc/39/85/31/261398531.db2.gz XHFABMIGVNABNJ-UHFFFAOYSA-N 0 3 282.387 2.520 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184092407 262009065 /nfs/dbraw/zinc/00/90/65/262009065.db2.gz LPFDDKOOOGKEQR-BHYGNILZSA-N 0 3 271.408 2.789 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000309723478 262009370 /nfs/dbraw/zinc/00/93/70/262009370.db2.gz MUOSCDCNRHKUPU-YXJHDRRASA-N 0 3 299.418 2.705 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(c2)OCCO3)C1 ZINC000185758300 262069018 /nfs/dbraw/zinc/06/90/18/262069018.db2.gz VMHBYAKPBWQRNJ-GXTWGEPZSA-N 0 3 272.348 2.630 20 30 CFEDHN COCCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185777133 262069826 /nfs/dbraw/zinc/06/98/26/262069826.db2.gz ZXYRZLRYXYGTJR-JKSUJKDBSA-N 0 3 288.391 2.884 20 30 CFEDHN CC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185778411 262070037 /nfs/dbraw/zinc/07/00/37/262070037.db2.gz XZYFVNVLENDLET-UKRRQHHQSA-N 0 3 271.364 2.817 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCCOc2cccc(F)c2)C1 ZINC000185791137 262071512 /nfs/dbraw/zinc/07/15/12/262071512.db2.gz PBZCPLQCLCWDMT-JSGCOSHPSA-N 0 3 262.328 2.876 20 30 CFEDHN Cc1coc(SCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000188396074 262154888 /nfs/dbraw/zinc/15/48/88/262154888.db2.gz VSQHMLJQHRILOZ-VIFPVBQESA-N 0 3 293.373 2.717 20 30 CFEDHN N#CCCCCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190571440 262184152 /nfs/dbraw/zinc/18/41/52/262184152.db2.gz DUIDGTWNROYVFG-UHFFFAOYSA-N 0 3 277.343 2.758 20 30 CFEDHN COCCN(CCCC(C)(C)C#N)Cc1cccnc1 ZINC000191247885 262190374 /nfs/dbraw/zinc/19/03/74/262190374.db2.gz LXWPWPKSNQLASH-UHFFFAOYSA-N 0 3 275.396 2.860 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3c2OCO3)C1 ZINC000192713133 262209335 /nfs/dbraw/zinc/20/93/35/262209335.db2.gz XEKLPNSINMAUIK-DGCLKSJQSA-N 0 3 258.321 2.587 20 30 CFEDHN CCc1noc(CC)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000192945463 262212466 /nfs/dbraw/zinc/21/24/66/262212466.db2.gz ODFZHENLOZCTQO-NEPJUHHUSA-N 0 3 261.369 2.971 20 30 CFEDHN Cc1nc(NC[C@H](C)N(C)Cc2ccccc2)ccc1C#N ZINC000390572575 262221908 /nfs/dbraw/zinc/22/19/08/262221908.db2.gz AYTOBWNXEGAAFG-AWEZNQCLSA-N 0 3 294.402 2.616 20 30 CFEDHN C=CCCOCCNCc1ccc(-n2cccn2)cc1 ZINC000120836164 262237066 /nfs/dbraw/zinc/23/70/66/262237066.db2.gz MFYLIAUTKREUNV-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=CCCOCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000120886735 262239177 /nfs/dbraw/zinc/23/91/77/262239177.db2.gz XAHDLSYFNFQFGP-UHFFFAOYSA-N 0 3 297.782 2.794 20 30 CFEDHN C=CC1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000111258503 262259053 /nfs/dbraw/zinc/25/90/53/262259053.db2.gz BOGWFJZZOQIVRB-SFHVURJKSA-N 0 3 263.406 2.692 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000111259756 262259152 /nfs/dbraw/zinc/25/91/52/262259152.db2.gz GZRQNERGRQGMSL-HNNXBMFYSA-N 0 3 286.419 2.932 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184092425 262269081 /nfs/dbraw/zinc/26/90/81/262269081.db2.gz LPFDDKOOOGKEQR-USXIJHARSA-N 0 3 271.408 2.789 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(CSC(F)F)o1 ZINC000184261418 262274581 /nfs/dbraw/zinc/27/45/81/262274581.db2.gz LRAUIZLONABKSM-SECBINFHSA-N 0 3 277.336 2.762 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cnc2ccsc2c1 ZINC000186685262 262320073 /nfs/dbraw/zinc/32/00/73/262320073.db2.gz JVOJVHFDEYLAMM-PWSUYJOCSA-N 0 3 262.378 2.884 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186719351 262320531 /nfs/dbraw/zinc/32/05/31/262320531.db2.gz OJUGMJDCKKPKKA-OCCSQVGLSA-N 0 3 264.325 2.573 20 30 CFEDHN N#CCSCCCN1CC[C@@H](O)c2ccccc2C1 ZINC000373129221 262355840 /nfs/dbraw/zinc/35/58/40/262355840.db2.gz YDWKOIFWIXCIKE-OAHLLOKOSA-N 0 3 276.405 2.573 20 30 CFEDHN CC#CCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000497063028 262364429 /nfs/dbraw/zinc/36/44/29/262364429.db2.gz LHUDZDHSWYSZPQ-GASCZTMLSA-N 0 3 292.423 2.589 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC2(CCOCC2)C1 ZINC000365433876 262365305 /nfs/dbraw/zinc/36/53/05/262365305.db2.gz STDLFCGINXUMQB-UHFFFAOYSA-N 0 3 280.412 2.588 20 30 CFEDHN CC#CCN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000365563031 262370755 /nfs/dbraw/zinc/37/07/55/262370755.db2.gz AVVOTAGZECMOLO-KRWDZBQOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000111843231 262377144 /nfs/dbraw/zinc/37/71/44/262377144.db2.gz FCMUYVWVEBNQQF-OAHLLOKOSA-N 0 3 293.455 2.714 20 30 CFEDHN N#CCSCCCN1CC[C@H]1Cc1ccccc1 ZINC000336731262 262385512 /nfs/dbraw/zinc/38/55/12/262385512.db2.gz RBHCQWNLAYGAHC-HNNXBMFYSA-N 0 3 260.406 2.950 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338663341 262553581 /nfs/dbraw/zinc/55/35/81/262553581.db2.gz OGEZIELCTMNWKV-ZBFHGGJFSA-N 0 3 272.392 2.904 20 30 CFEDHN CCCCCC(=O)NC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338942316 262573976 /nfs/dbraw/zinc/57/39/76/262573976.db2.gz KZPVZNHGSFJQTG-GDBMZVCRSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCOCCN1CCN(c2ccccc2)C[C@H]1CC ZINC000339096640 262598543 /nfs/dbraw/zinc/59/85/43/262598543.db2.gz UDNSHOWRDRTUKT-MRXNPFEDSA-N 0 3 274.408 2.790 20 30 CFEDHN CC(C)OCCOC1CCN([C@@H](C)CCC#N)CC1 ZINC000411807275 262707165 /nfs/dbraw/zinc/70/71/65/262707165.db2.gz JXPHSPUCOJBRKW-AWEZNQCLSA-N 0 3 268.401 2.585 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(-n2cncn2)cc1 ZINC000414165402 262820097 /nfs/dbraw/zinc/82/00/97/262820097.db2.gz LWDUFPRGKVIPLP-ZDUSSCGKSA-N 0 3 283.379 2.858 20 30 CFEDHN CN(C)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000272565460 263006752 /nfs/dbraw/zinc/00/67/52/263006752.db2.gz UXKXQPOTFKBKJB-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274407637 263023930 /nfs/dbraw/zinc/02/39/30/263023930.db2.gz FYVDUIVQXZPLMY-SDDRHHMPSA-N 0 3 259.309 2.938 20 30 CFEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(N2CCOC2=O)c1 ZINC000276313088 263036005 /nfs/dbraw/zinc/03/60/05/263036005.db2.gz MVDOWYDTBVSWTO-QWHCGFSZSA-N 0 3 287.363 2.986 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000276313084 263036061 /nfs/dbraw/zinc/03/60/61/263036061.db2.gz MVDOWYDTBVSWTO-OLZOCXBDSA-N 0 3 287.363 2.986 20 30 CFEDHN CN(C)C(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000278163503 263045524 /nfs/dbraw/zinc/04/55/24/263045524.db2.gz BWCOUELRYYKDFG-CZUORRHYSA-N 0 3 285.391 2.560 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(C3OCCO3)cc2)C1 ZINC000278385248 263047728 /nfs/dbraw/zinc/04/77/28/263047728.db2.gz DITOYKYERYFINW-GDBMZVCRSA-N 0 3 286.375 2.904 20 30 CFEDHN N#CCCCCN1CCC(Oc2ncccc2F)CC1 ZINC000278422878 263047976 /nfs/dbraw/zinc/04/79/76/263047976.db2.gz ZLTHAIAPCPNJIN-UHFFFAOYSA-N 0 3 277.343 2.758 20 30 CFEDHN COc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1O ZINC000278701847 263049785 /nfs/dbraw/zinc/04/97/85/263049785.db2.gz TTWBBSAIQFRQPE-AAEUAGOBSA-N 0 3 260.337 2.525 20 30 CFEDHN CCC(CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279366639 263055089 /nfs/dbraw/zinc/05/50/89/263055089.db2.gz KZCFMIIFCDLPGT-AWEZNQCLSA-N 0 3 269.348 2.545 20 30 CFEDHN CCCCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279802896 263057461 /nfs/dbraw/zinc/05/74/61/263057461.db2.gz WOMQKYYSTZQVPX-INIZCTEOSA-N 0 3 283.375 2.889 20 30 CFEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000280060008 263058781 /nfs/dbraw/zinc/05/87/81/263058781.db2.gz MOWFQIKSMAXQAI-OAHLLOKOSA-N 0 3 281.359 2.547 20 30 CFEDHN C[C@H]1CCCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174839 263059361 /nfs/dbraw/zinc/05/93/61/263059361.db2.gz XTEBJVXJRIOXSC-YOEHRIQHSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000280329858 263060501 /nfs/dbraw/zinc/06/05/01/263060501.db2.gz HDJNPMUCNPQHHG-KEYYUXOJSA-N 0 3 295.386 2.888 20 30 CFEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280358176 263060531 /nfs/dbraw/zinc/06/05/31/263060531.db2.gz ISYDGMZDZGXTEB-INIZCTEOSA-N 0 3 295.386 2.937 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000366592896 263068162 /nfs/dbraw/zinc/06/81/62/263068162.db2.gz QMIFWXYGAUTEGA-RDJZCZTQSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCOC[C@H]2OCC)cc1 ZINC000353196447 263072246 /nfs/dbraw/zinc/07/22/46/263072246.db2.gz XAOBXMZZBKDJRJ-IAGOWNOFSA-N 0 3 291.391 2.535 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCOC[C@@H]2OCC)cc1 ZINC000353196454 263072250 /nfs/dbraw/zinc/07/22/50/263072250.db2.gz XAOBXMZZBKDJRJ-IRXDYDNUSA-N 0 3 291.391 2.535 20 30 CFEDHN CC[C@@H](CC#N)N[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282185414 263074898 /nfs/dbraw/zinc/07/48/98/263074898.db2.gz FYBUFPBVPHTBBM-NWDGAFQWSA-N 0 3 253.349 2.917 20 30 CFEDHN CN(C)C(=O)[C@@H](NCC1CCC(C#N)CC1)c1ccccc1 ZINC000282542684 263077335 /nfs/dbraw/zinc/07/73/35/263077335.db2.gz XVAVVJVJDDNJCC-DQPZFDDXSA-N 0 3 299.418 2.735 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000340150602 263078608 /nfs/dbraw/zinc/07/86/08/263078608.db2.gz ZEASDJLSBUOCIW-HZPDHXFCSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C(CNCc1cccc(C(N)=O)c1)c1ccccc1 ZINC000340174263 263083181 /nfs/dbraw/zinc/08/31/81/263083181.db2.gz PKRVEYXOARTXRV-UHFFFAOYSA-N 0 3 266.344 2.589 20 30 CFEDHN C[C@@](CO)(NCCCC#N)c1ccc(Br)cc1 ZINC000285341648 263092386 /nfs/dbraw/zinc/09/23/86/263092386.db2.gz CVVHIIGNYLRNBK-ZDUSSCGKSA-N 0 3 297.196 2.550 20 30 CFEDHN CCCOc1ccc(/C=N/[C@@H](C)C[NH+](C)C)c([O-])c1 ZINC000286503455 263098735 /nfs/dbraw/zinc/09/87/35/263098735.db2.gz NBOYCDQLUKYGPB-SEJMYLSOSA-N 0 3 264.369 2.550 20 30 CFEDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000287204109 263101189 /nfs/dbraw/zinc/10/11/89/263101189.db2.gz ZGKZROSSSMQIPF-LBPRGKRZSA-N 0 3 288.395 2.559 20 30 CFEDHN CC(C)(CCC#N)CN(CCCO)Cc1ccccn1 ZINC000289416889 263110062 /nfs/dbraw/zinc/11/00/62/263110062.db2.gz IOILDYKMCZODOZ-UHFFFAOYSA-N 0 3 275.396 2.596 20 30 CFEDHN CC[C@H]1CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000292879023 263135927 /nfs/dbraw/zinc/13/59/27/263135927.db2.gz XIXORSICWKCHBO-INIZCTEOSA-N 0 3 295.390 2.843 20 30 CFEDHN N#CCCOCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000292912796 263136287 /nfs/dbraw/zinc/13/62/87/263136287.db2.gz BELXOKSWOADQSQ-OAHLLOKOSA-N 0 3 294.782 2.723 20 30 CFEDHN N#CCCOCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000292914543 263136448 /nfs/dbraw/zinc/13/64/48/263136448.db2.gz XKEFIRYUQXDQLZ-UHFFFAOYSA-N 0 3 296.374 2.582 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nnc4ccccn43)C2)C1 ZINC000292998392 263137047 /nfs/dbraw/zinc/13/70/47/263137047.db2.gz GOIJBVJDRKFLPQ-KFWWJZLASA-N 0 3 295.390 2.601 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCN(CCc3cccs3)CC2)C1 ZINC000293459180 263140744 /nfs/dbraw/zinc/14/07/44/263140744.db2.gz LBDZGDGVCRBUBO-GJZGRUSLSA-N 0 3 289.448 2.600 20 30 CFEDHN CN(C)c1ccc(CN(CCOCCC#N)C2CC2)cc1 ZINC000293501141 263142001 /nfs/dbraw/zinc/14/20/01/263142001.db2.gz NSGLDQPCZYRRPZ-UHFFFAOYSA-N 0 3 287.407 2.647 20 30 CFEDHN C=C(CNCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000340434718 263145481 /nfs/dbraw/zinc/14/54/81/263145481.db2.gz MEBBBOIVNDVCGY-UHFFFAOYSA-N 0 3 266.344 2.589 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ncccc3F)CC2)C1 ZINC000293683928 263146664 /nfs/dbraw/zinc/14/66/64/263146664.db2.gz ATEAJTBCJINDHH-OLZOCXBDSA-N 0 3 289.354 2.756 20 30 CFEDHN CCc1nc2c(s1)[C@@H](N(C)CCOCCC#N)CCC2 ZINC000293689976 263147128 /nfs/dbraw/zinc/14/71/28/263147128.db2.gz BSBQBJKAUDWNDI-ZDUSSCGKSA-N 0 3 293.436 2.945 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@](CO)(Cc3ccccc3)C2)C1 ZINC000293700631 263147428 /nfs/dbraw/zinc/14/74/28/263147428.db2.gz XAJALWMAFJBOFJ-QYZOEREBSA-N 0 3 298.430 2.996 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NCCOCCC#N ZINC000293747043 263148599 /nfs/dbraw/zinc/14/85/99/263148599.db2.gz IIMBJRLWIXNIOE-ZDUSSCGKSA-N 0 3 262.353 2.585 20 30 CFEDHN Cc1cnccc1OC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000294182520 263157047 /nfs/dbraw/zinc/15/70/47/263157047.db2.gz QOAPHHGWUGBUCU-CABCVRRESA-N 0 3 285.391 2.926 20 30 CFEDHN Cc1cnccc1OC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000294182556 263157092 /nfs/dbraw/zinc/15/70/92/263157092.db2.gz QOAPHHGWUGBUCU-HUUCEWRRSA-N 0 3 285.391 2.926 20 30 CFEDHN COc1ncc(CN[C@H]2CCC[C@@H](C#N)C2)cc1Cl ZINC000294700126 263166217 /nfs/dbraw/zinc/16/62/17/263166217.db2.gz BFHSFDAPFZJTEZ-PWSUYJOCSA-N 0 3 279.771 2.916 20 30 CFEDHN COc1ncc(CN[C@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000294700125 263166375 /nfs/dbraw/zinc/16/63/75/263166375.db2.gz BFHSFDAPFZJTEZ-JQWIXIFHSA-N 0 3 279.771 2.916 20 30 CFEDHN N#CC1CCC(CNCc2cc(F)ncc2F)CC1 ZINC000296947805 263198677 /nfs/dbraw/zinc/19/86/77/263198677.db2.gz TUUTVRAEOKPJIN-UHFFFAOYSA-N 0 3 265.307 2.779 20 30 CFEDHN C=CCC[C@@H](NCC[C@](C)(O)COC)c1ccco1 ZINC000453260207 263212911 /nfs/dbraw/zinc/21/29/11/263212911.db2.gz QWIYEUCMMBQHSS-HIFRSBDPSA-N 0 3 267.369 2.664 20 30 CFEDHN C[C@H](CCC#N)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000298356637 263218605 /nfs/dbraw/zinc/21/86/05/263218605.db2.gz CDCONNXFNHZLNC-XFBWCDHKSA-N 0 3 293.361 2.992 20 30 CFEDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000298394433 263218932 /nfs/dbraw/zinc/21/89/32/263218932.db2.gz DUEJDRBNOBUZGB-QWHCGFSZSA-N 0 3 294.420 2.823 20 30 CFEDHN C[C@H](CCC#N)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000298563964 263222170 /nfs/dbraw/zinc/22/21/70/263222170.db2.gz PSRRVEQEDUSLMD-MRXNPFEDSA-N 0 3 286.419 2.996 20 30 CFEDHN C[C@H](CCC#N)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000298582785 263222444 /nfs/dbraw/zinc/22/24/44/263222444.db2.gz RDQWXROQPPMVMO-GFCCVEGCSA-N 0 3 277.343 2.756 20 30 CFEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCF ZINC000340665430 263274418 /nfs/dbraw/zinc/27/44/18/263274418.db2.gz MARUIVPNTUWCEC-UHFFFAOYSA-N 0 3 298.431 2.554 20 30 CFEDHN C#CCCCCC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000119832301 263279408 /nfs/dbraw/zinc/27/94/08/263279408.db2.gz LSUXIULKISHZPX-INIZCTEOSA-N 0 3 286.419 2.817 20 30 CFEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000120261215 263283079 /nfs/dbraw/zinc/28/30/79/263283079.db2.gz HQKJFRSHOLMMJI-UHFFFAOYSA-N 0 3 292.448 2.832 20 30 CFEDHN C=CCN(C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000121310231 263290876 /nfs/dbraw/zinc/29/08/76/263290876.db2.gz CAZNIMRVHPWEKL-MRXNPFEDSA-N 0 3 272.392 2.688 20 30 CFEDHN COc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccc1C#N ZINC000353640481 263293675 /nfs/dbraw/zinc/29/36/75/263293675.db2.gz GZQSMUOUJVFJGY-IUODEOHRSA-N 0 3 269.348 2.739 20 30 CFEDHN C=CCN(C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121422472 263294991 /nfs/dbraw/zinc/29/49/91/263294991.db2.gz MUXWEDNCVFGJNO-DOTOQJQBSA-N 0 3 275.392 2.559 20 30 CFEDHN C=CCCC[C@@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000340923118 263315272 /nfs/dbraw/zinc/31/52/72/263315272.db2.gz QWNKGLJFJKQNQP-GHMZBOCLSA-N 0 3 251.292 2.730 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000341378853 263334926 /nfs/dbraw/zinc/33/49/26/263334926.db2.gz ONFAPJBSPXTOCY-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CCC)C1 ZINC000341592261 263344058 /nfs/dbraw/zinc/34/40/58/263344058.db2.gz XPYOMYKSGOIZCF-OAHLLOKOSA-N 0 3 266.429 2.923 20 30 CFEDHN CC(C)[C@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000341803623 263354114 /nfs/dbraw/zinc/35/41/14/263354114.db2.gz AAPULNABBDQLJT-AWEZNQCLSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CCC[C@H](NCCCn1ccnn1)c1ccco1 ZINC000353671437 263358520 /nfs/dbraw/zinc/35/85/20/263358520.db2.gz KJCOALQMZAQASE-ZDUSSCGKSA-N 0 3 260.341 2.558 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OC)cc1OC ZINC000341880496 263362024 /nfs/dbraw/zinc/36/20/24/263362024.db2.gz PSNUGCYPIJBDLA-QWHCGFSZSA-N 0 3 279.380 2.539 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(F)cc1F ZINC000341886204 263363470 /nfs/dbraw/zinc/36/34/70/263363470.db2.gz XHAQKLNHAYKLPS-QWRGUYRKSA-N 0 3 255.308 2.800 20 30 CFEDHN CC[C@H](C)[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000341911498 263366136 /nfs/dbraw/zinc/36/61/36/263366136.db2.gz VAMGWHOFOLJMRM-NHYWBVRUSA-N 0 3 293.798 2.657 20 30 CFEDHN COCC1(C#N)CCN(CCCCOC(C)(C)C)CC1 ZINC000341982544 263370235 /nfs/dbraw/zinc/37/02/35/263370235.db2.gz AUIQGQRGMLATHB-UHFFFAOYSA-N 0 3 282.428 2.834 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000342847883 263529921 /nfs/dbraw/zinc/52/99/21/263529921.db2.gz KIHBPLZYJPDSNK-OAHLLOKOSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425344773 264016782 /nfs/dbraw/zinc/01/67/82/264016782.db2.gz CWWBWJDQEGRRCZ-MRXNPFEDSA-N 0 3 298.390 2.680 20 30 CFEDHN C#Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000934937566 649858996 /nfs/dbraw/zinc/85/89/96/649858996.db2.gz LVPPUUWNDGXMRY-UHFFFAOYSA-N 0 3 297.402 2.760 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000330898235 264079248 /nfs/dbraw/zinc/07/92/48/264079248.db2.gz HZMABFILNMVJGY-ZJUUUORDSA-N 0 3 295.314 2.521 20 30 CFEDHN C[NH+](C)CC[C@@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000330954802 264087035 /nfs/dbraw/zinc/08/70/35/264087035.db2.gz ARLHLGRTKXKWHB-SNVBAGLBSA-N 0 3 285.413 2.520 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)c2ccc(CC#N)cc2)C1 ZINC000331009068 264107037 /nfs/dbraw/zinc/10/70/37/264107037.db2.gz YQWYBXXYVHDDTP-UHFFFAOYSA-N 0 3 299.418 2.604 20 30 CFEDHN CC[C@@H](C)n1ncc(C(=O)NCCN2CCCCC2)c1C ZINC000331064504 264111704 /nfs/dbraw/zinc/11/17/04/264111704.db2.gz FBZVAJVEIOIWHC-CYBMUJFWSA-N 0 3 292.427 2.953 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)N[C@H]2CCCN(CC)C2)c1C ZINC000331068999 264112985 /nfs/dbraw/zinc/11/29/85/264112985.db2.gz BCMGYRNEDPDUGS-JSGCOSHPSA-N 0 3 292.427 2.951 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CCN1C ZINC000331073203 264113951 /nfs/dbraw/zinc/11/39/51/264113951.db2.gz UFPRXEYNQOEDAO-DJIMGWMZSA-N 0 3 299.418 2.673 20 30 CFEDHN CC(C)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)c([O-])c1 ZINC000331246856 264179641 /nfs/dbraw/zinc/17/96/41/264179641.db2.gz VIGOIMQKRWLOIX-NSHDSACASA-N 0 3 264.369 2.770 20 30 CFEDHN CC(C)c1ccc(C(=O)N[C@@H](C)C[NH+](C)C)c([O-])c1 ZINC000331249913 264180858 /nfs/dbraw/zinc/18/08/58/264180858.db2.gz YIGMJMNKKWMNPB-NSHDSACASA-N 0 3 264.369 2.770 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)Nc1c(C)onc1CC ZINC000331343138 264195859 /nfs/dbraw/zinc/19/58/59/264195859.db2.gz UEVKHWNNUKJBAY-LBPRGKRZSA-N 0 3 294.399 2.746 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000425375701 264204036 /nfs/dbraw/zinc/20/40/36/264204036.db2.gz DFPBPSWOLRLMMW-VXGBXAGGSA-N 0 3 264.344 2.955 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1cnc(C)nc1)C(C)C ZINC000343270854 264291243 /nfs/dbraw/zinc/29/12/43/264291243.db2.gz GSNCCGKIZZEUFJ-QGZVFWFLSA-N 0 3 288.439 2.573 20 30 CFEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000073766876 264298957 /nfs/dbraw/zinc/29/89/57/264298957.db2.gz BYZCWICJRUVQQL-KBXCAEBGSA-N 0 3 299.418 2.950 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000076736847 264344186 /nfs/dbraw/zinc/34/41/86/264344186.db2.gz JYZLXCPASOJZPP-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CC=CC1)C(C)C ZINC000077000664 264350700 /nfs/dbraw/zinc/35/07/00/264350700.db2.gz PZSOUCXMNDLBRL-MRXNPFEDSA-N 0 3 276.424 2.767 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000056308599 264391028 /nfs/dbraw/zinc/39/10/28/264391028.db2.gz KYYYGIJKAMNSLZ-WBVHZDCISA-N 0 3 291.439 2.695 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(F)cc(Br)c1 ZINC000320744812 265025736 /nfs/dbraw/zinc/02/57/36/265025736.db2.gz MQBGEZSVQGMADU-GFCCVEGCSA-N 0 3 288.160 2.615 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000345754258 265096958 /nfs/dbraw/zinc/09/69/58/265096958.db2.gz DRIULUYAWCECTH-NSHDSACASA-N 0 3 260.312 2.523 20 30 CFEDHN CC#CCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC000356444254 266114885 /nfs/dbraw/zinc/11/48/85/266114885.db2.gz YAIQPXQUOGVCNK-UHFFFAOYSA-N 0 3 257.255 2.914 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000346230421 266159905 /nfs/dbraw/zinc/15/99/05/266159905.db2.gz FUOIFFLNCYUCAJ-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357280149 266270744 /nfs/dbraw/zinc/27/07/44/266270744.db2.gz GSDBLJPSCNVNSE-DZKIICNBSA-N 0 3 289.423 2.860 20 30 CFEDHN C=CCN(C(=O)NCCN1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000357591867 266332607 /nfs/dbraw/zinc/33/26/07/266332607.db2.gz UJTGVDDXZGFYLM-ZIAGYGMSSA-N 0 3 279.428 2.609 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000357796874 266364475 /nfs/dbraw/zinc/36/44/75/266364475.db2.gz KRBNAMAFYSXWCE-VIFPVBQESA-N 0 3 286.253 2.703 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000357810808 266368940 /nfs/dbraw/zinc/36/89/40/266368940.db2.gz CJSTXYHYCCEFRS-GFCCVEGCSA-N 0 3 274.339 2.913 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357884490 266381869 /nfs/dbraw/zinc/38/18/69/266381869.db2.gz VFFHDYPHTSWPCY-ZIAGYGMSSA-N 0 3 279.428 2.681 20 30 CFEDHN C[C@H](C(=O)NC(C)(C)C)N(C)CCCC(C)(C)C#N ZINC000362578374 267010723 /nfs/dbraw/zinc/01/07/23/267010723.db2.gz DELQCWXVLHCQKV-GFCCVEGCSA-N 0 3 267.417 2.551 20 30 CFEDHN C=C[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000362586155 267011983 /nfs/dbraw/zinc/01/19/83/267011983.db2.gz GHMWATZLOQYIFR-AWEZNQCLSA-N 0 3 272.392 2.977 20 30 CFEDHN C=C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000362611703 267021767 /nfs/dbraw/zinc/02/17/67/267021767.db2.gz FAAMMIDXDPVETG-ZFWWWQNUSA-N 0 3 290.382 2.728 20 30 CFEDHN C[C@@H]1CC[C@@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000362186784 267027754 /nfs/dbraw/zinc/02/77/54/267027754.db2.gz KNLXRFBWHZNWLR-XOKHGSTOSA-N 0 3 295.386 2.888 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000362659568 267032128 /nfs/dbraw/zinc/03/21/28/267032128.db2.gz VNBWRVRQDVJLCX-OLZOCXBDSA-N 0 3 293.436 2.759 20 30 CFEDHN CC(C)CCN(CCC#N)C(=O)CC1CCN(C)CC1 ZINC000362755036 267042301 /nfs/dbraw/zinc/04/23/01/267042301.db2.gz DJAMHZIHVKDDLI-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1ccc(F)cc1 ZINC000367608832 267104833 /nfs/dbraw/zinc/10/48/33/267104833.db2.gz ZZCYMCFKZBRRPU-KVDVXYDOSA-N 0 3 285.362 2.532 20 30 CFEDHN C[C@@H]1CCOCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000367711594 267112048 /nfs/dbraw/zinc/11/20/48/267112048.db2.gz YQNVAOOTTDTXBZ-OAHLLOKOSA-N 0 3 287.407 2.647 20 30 CFEDHN C=CCOc1cccc(CN2CCOCC[C@@H]2C)c1 ZINC000368142882 267148842 /nfs/dbraw/zinc/14/88/42/267148842.db2.gz NJLTUUKOXAOIDH-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)[C@@H]1SC ZINC000459568447 267150257 /nfs/dbraw/zinc/15/02/57/267150257.db2.gz ZZCJJEKFRDUUIO-KFWWJZLASA-N 0 3 294.395 2.696 20 30 CFEDHN C=CC[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000116974251 267194824 /nfs/dbraw/zinc/19/48/24/267194824.db2.gz TUSLECMDZGHHNZ-PCKAHOCUSA-N 0 3 293.455 2.857 20 30 CFEDHN N#CCCCN1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000369047390 267219234 /nfs/dbraw/zinc/21/92/34/267219234.db2.gz JWSSMPROWGATKN-UHFFFAOYSA-N 0 3 298.312 2.979 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(c3ccccc3)CC2)C1=O ZINC000369188009 267223677 /nfs/dbraw/zinc/22/36/77/267223677.db2.gz KVXMCSXNTHKUET-KRWDZBQOSA-N 0 3 284.403 2.653 20 30 CFEDHN C[C@@H]1CN(CC(C)(C)CCC#N)CC2(CCOCC2)O1 ZINC000369282813 267230771 /nfs/dbraw/zinc/23/07/71/267230771.db2.gz JIJKWWGGCBEWAZ-CQSZACIVSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(C)(C#N)CCCCN1CCCN(C(=O)C2CC2)CC1 ZINC000369323181 267235094 /nfs/dbraw/zinc/23/50/94/267235094.db2.gz WAQALQPHEOSENU-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN CC(=O)N1CCCCC[C@@H]1C1CCN(CCCC#N)CC1 ZINC000369514478 267247641 /nfs/dbraw/zinc/24/76/41/267247641.db2.gz BPJQMLXGGNHDKL-QGZVFWFLSA-N 0 3 291.439 2.793 20 30 CFEDHN C#Cc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000369682402 267259127 /nfs/dbraw/zinc/25/91/27/267259127.db2.gz SDXGASGSATWGQL-SFHVURJKSA-N 0 3 299.414 2.685 20 30 CFEDHN CC(=O)N1CC[C@@H](NCCCC#N)c2ccc(F)cc2C1 ZINC000369897061 267274364 /nfs/dbraw/zinc/27/43/64/267274364.db2.gz HAYCJNVHFZVVQU-MRXNPFEDSA-N 0 3 289.354 2.512 20 30 CFEDHN N#CCCCN1CCN(CCCC#N)C2(CCCCC2)C1 ZINC000369951029 267278148 /nfs/dbraw/zinc/27/81/48/267278148.db2.gz HHORKZVGIPJGQI-UHFFFAOYSA-N 0 3 288.439 2.914 20 30 CFEDHN C=CCOc1cccc(CN2CC([C@H]3CCOC3)C2)c1 ZINC000370477726 267321567 /nfs/dbraw/zinc/32/15/67/267321567.db2.gz QDTGQSSFYCLFPS-HNNXBMFYSA-N 0 3 273.376 2.720 20 30 CFEDHN OC[C@H]1CCc2ccccc2[C@H]1NCC#Cc1ccccc1 ZINC000370519245 267326447 /nfs/dbraw/zinc/32/64/47/267326447.db2.gz VRRVJPVZVPYUSX-QUCCMNQESA-N 0 3 291.394 2.924 20 30 CFEDHN COC(=O)CCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000531479075 267359389 /nfs/dbraw/zinc/35/93/89/267359389.db2.gz MAOBSXBKDFUHTQ-UHFFFAOYSA-N 0 3 286.375 2.723 20 30 CFEDHN C[C@@H](CNCC1(C#N)CCC1)CC1CCOCC1 ZINC000418140382 267361969 /nfs/dbraw/zinc/36/19/69/267361969.db2.gz JJMDRTFNJWZEOR-CYBMUJFWSA-N 0 3 250.386 2.723 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000371209110 267371776 /nfs/dbraw/zinc/37/17/76/267371776.db2.gz SCHWYAUEULAZGJ-SJORKVTESA-N 0 3 273.376 2.909 20 30 CFEDHN CC#CCN1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000375015814 267825643 /nfs/dbraw/zinc/82/56/43/267825643.db2.gz WZOBVZOIRSAFBL-UHFFFAOYSA-N 0 3 292.423 2.733 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H]3CCCCC[C@@H]32)CC1 ZINC000376192977 267949804 /nfs/dbraw/zinc/94/98/04/267949804.db2.gz BSULWOCZGVUZKS-ZBFHGGJFSA-N 0 3 291.439 2.611 20 30 CFEDHN CC(C)(C#N)CC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000376868947 268026549 /nfs/dbraw/zinc/02/65/49/268026549.db2.gz CFJKZZJDMNQAJO-MRXNPFEDSA-N 0 3 299.418 2.707 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(C2)CCCC3)cc1 ZINC000336521481 268088632 /nfs/dbraw/zinc/08/86/32/268088632.db2.gz NQDODTXBBJKIQD-MRXNPFEDSA-N 0 3 293.370 2.643 20 30 CFEDHN N#Cc1c(NC[C@@H]2CCN2C2CCCC2)nc2ccccn12 ZINC000528209154 268166765 /nfs/dbraw/zinc/16/67/65/268166765.db2.gz LYPGUZUKEGHYFG-AWEZNQCLSA-N 0 3 295.390 2.635 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289879648 273487413 /nfs/dbraw/zinc/48/74/13/273487413.db2.gz RXZSKYOYJKOSLS-XHDPSFHLSA-N 0 3 256.349 2.682 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C#N)ccc1C ZINC000274680441 273601221 /nfs/dbraw/zinc/60/12/21/273601221.db2.gz NPDDXDYHLSVDKQ-GFCCVEGCSA-N 0 3 273.380 2.972 20 30 CFEDHN C[C@H](C(=O)N1CCc2c1cccc2C#N)N1CCCCCC1 ZINC000421652571 274457895 /nfs/dbraw/zinc/45/78/95/274457895.db2.gz SNBPBOKMHDWNFA-CQSZACIVSA-N 0 3 297.402 2.712 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000070988955 274922872 /nfs/dbraw/zinc/92/28/72/274922872.db2.gz SALQMXRSKLHDPZ-SFHVURJKSA-N 0 3 278.355 2.962 20 30 CFEDHN C#CCCN[C@@H]1CCOc2c(Br)cccc21 ZINC000281922306 275379670 /nfs/dbraw/zinc/37/96/70/275379670.db2.gz CUALHMBZNSLZAU-GFCCVEGCSA-N 0 3 280.165 2.886 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ncsc2C(C)C)CC1 ZINC000288509334 275382511 /nfs/dbraw/zinc/38/25/11/275382511.db2.gz BCAQDABJSUFDQX-UHFFFAOYSA-N 0 3 291.420 2.550 20 30 CFEDHN C(#Cc1ccccc1)CN1CCN(C2CCCC2)CC1 ZINC000191932279 275388673 /nfs/dbraw/zinc/38/86/73/275388673.db2.gz UBLXCHIBKVIFCC-UHFFFAOYSA-N 0 3 268.404 2.598 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000192121877 275388716 /nfs/dbraw/zinc/38/87/16/275388716.db2.gz ZNPSRPVYZZVWBC-UYAOXDASSA-N 0 3 294.442 2.987 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000295887434 275388781 /nfs/dbraw/zinc/38/87/81/275388781.db2.gz DJMZJKGUYKQSHZ-KZNAEPCWSA-N 0 3 281.399 2.975 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)Nc1nc(C)c(C)s1 ZINC000329181106 276010756 /nfs/dbraw/zinc/01/07/56/276010756.db2.gz OCENXIZPBGGGRI-LBPRGKRZSA-N 0 3 296.440 2.960 20 30 CFEDHN CCOC[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341699054 276329406 /nfs/dbraw/zinc/32/94/06/276329406.db2.gz QLHLQSRZEVQOSD-WBMJQRKESA-N 0 3 258.365 2.950 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)CC2(C)C)CC1 ZINC000335681174 276861807 /nfs/dbraw/zinc/86/18/07/276861807.db2.gz KYMYZMIRBGFEDV-AWEZNQCLSA-N 0 3 293.455 2.857 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000275572325 277081776 /nfs/dbraw/zinc/08/17/76/277081776.db2.gz IEUVTZBMYLYJEL-BBRMVZONSA-N 0 3 298.386 2.894 20 30 CFEDHN CN1CC[C@H]2CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000334236073 277177960 /nfs/dbraw/zinc/17/79/60/277177960.db2.gz KWLLQVRONUJMHY-NHYWBVRUSA-N 0 3 275.783 2.742 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2c2nccc(C#N)c2Cl)C1 ZINC000429216431 277183454 /nfs/dbraw/zinc/18/34/54/277183454.db2.gz PHWAZPQSJAKVQP-OLZOCXBDSA-N 0 3 290.798 2.527 20 30 CFEDHN C=CCCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000355592296 277829135 /nfs/dbraw/zinc/82/91/35/277829135.db2.gz AYJXMVUXSWSDQQ-GDBMZVCRSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](C(C)C)N(CC=C)CC=C ZINC000275245449 277840974 /nfs/dbraw/zinc/84/09/74/277840974.db2.gz MALCCSQJKWCWSR-HNNXBMFYSA-N 0 3 279.428 2.512 20 30 CFEDHN CC(C)c1cccc2c1CCN(C(=O)C(C)C#N)C2 ZINC000335370008 278057117 /nfs/dbraw/zinc/05/71/17/278057117.db2.gz XJQDRQLXEJXPQP-GFCCVEGCSA-N 0 3 256.349 2.854 20 30 CFEDHN CC(C)(C#N)CCN1CCSC2(CCOCC2)C1 ZINC000336177776 278257660 /nfs/dbraw/zinc/25/76/60/278257660.db2.gz RDRUJWKSBQNXOK-UHFFFAOYSA-N 0 3 268.426 2.524 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(NC(N)=O)cc1 ZINC000079003336 278266524 /nfs/dbraw/zinc/26/65/24/278266524.db2.gz JYYJPBXQZCYSBZ-LBPRGKRZSA-N 0 3 294.358 2.900 20 30 CFEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000162791927 278337268 /nfs/dbraw/zinc/33/72/68/278337268.db2.gz JDWLBHJTBYYDHQ-OCCSQVGLSA-N 0 3 263.768 2.706 20 30 CFEDHN C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000181999179 278367351 /nfs/dbraw/zinc/36/73/51/278367351.db2.gz SGSNTXOOEQEKKQ-IUODEOHRSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc[nH]c(=O)c1 ZINC000340447869 278375336 /nfs/dbraw/zinc/37/53/36/278375336.db2.gz IQIAQLHUKKYQHE-BDJLRTHQSA-N 0 3 279.343 2.997 20 30 CFEDHN C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000181999159 279501185 /nfs/dbraw/zinc/50/11/85/279501185.db2.gz SGSNTXOOEQEKKQ-SWLSCSKDSA-N 0 3 285.391 2.608 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2C[C@@H](N3CCCC3)C[C@@H]2C)n1 ZINC000286183092 280380846 /nfs/dbraw/zinc/38/08/46/280380846.db2.gz AQJHUBUMDCFUCM-GJZGRUSLSA-N 0 3 284.407 2.633 20 30 CFEDHN N#Cc1ccccc1OC1CCC(NCc2ncc[nH]2)CC1 ZINC000111408789 280593692 /nfs/dbraw/zinc/59/36/92/280593692.db2.gz KLBDHNAIDNYDLL-UHFFFAOYSA-N 0 3 296.374 2.761 20 30 CFEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000114473398 280599421 /nfs/dbraw/zinc/59/94/21/280599421.db2.gz MOMVPRHSFLZCOH-LLVKDONJSA-N 0 3 259.353 2.521 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(C(C)(C)C)CC1 ZINC000172032569 335090206 /nfs/dbraw/zinc/09/02/06/335090206.db2.gz WXFNJCPAEKGKNP-ZDUSSCGKSA-N 0 3 279.428 2.505 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255013734 281084632 /nfs/dbraw/zinc/08/46/32/281084632.db2.gz HADMGXCBPAMXRT-HJWRWDBZSA-N 0 3 299.418 2.618 20 30 CFEDHN CC[C@H]1CN2CCC[C@@H]2CN1c1nccc(C#N)c1Cl ZINC000342848470 288313855 /nfs/dbraw/zinc/31/38/55/288313855.db2.gz LVZCSJNKWTWFPT-QWHCGFSZSA-N 0 3 290.798 2.670 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C#N)s2)CCCCC1 ZINC000542781523 281632816 /nfs/dbraw/zinc/63/28/16/281632816.db2.gz WQEKKTSTGMRKIG-UHFFFAOYSA-N 0 3 292.404 2.975 20 30 CFEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H]2C)c1C#N ZINC000558618762 281987118 /nfs/dbraw/zinc/98/71/18/281987118.db2.gz GLPDMKHLQYBSSY-XHDPSFHLSA-N 0 3 272.348 2.623 20 30 CFEDHN CC(C)[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCN1C ZINC000562346085 282076289 /nfs/dbraw/zinc/07/62/89/282076289.db2.gz HDZMWHQDMGVYQW-QGZVFWFLSA-N 0 3 294.402 2.883 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000562437371 290043337 /nfs/dbraw/zinc/04/33/37/290043337.db2.gz JMKVLAVYQPDFHV-HNNXBMFYSA-N 0 3 284.407 2.999 20 30 CFEDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000564354267 290206181 /nfs/dbraw/zinc/20/61/81/290206181.db2.gz CXYDZTYMYZZJFW-QGZVFWFLSA-N 0 3 299.418 2.747 20 30 CFEDHN Cn1ncc2ccc(CNCc3cccc(C#N)c3)cc21 ZINC000564654422 290221470 /nfs/dbraw/zinc/22/14/70/290221470.db2.gz FUCAYIDWWOAKGH-UHFFFAOYSA-N 0 3 276.343 2.735 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc(C#N)cc2Cl)C1 ZINC000269076280 290240719 /nfs/dbraw/zinc/24/07/19/290240719.db2.gz CCKRXNIZRYDUDO-JSGCOSHPSA-N 0 3 290.798 2.527 20 30 CFEDHN C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CCN1 ZINC000564979138 290254252 /nfs/dbraw/zinc/25/42/52/290254252.db2.gz IVBOSRGGKDRTRO-SNVBAGLBSA-N 0 3 286.766 2.558 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333035215 294844210 /nfs/dbraw/zinc/84/42/10/294844210.db2.gz CZNMSQAZZYBLCH-WCQYABFASA-N 0 3 270.332 2.686 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000488743890 301161951 /nfs/dbraw/zinc/16/19/51/301161951.db2.gz IWBZMZFQVPGJRY-HACGYAERSA-N 0 3 298.434 2.737 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085467329 782066802 /nfs/dbraw/zinc/06/68/02/782066802.db2.gz PULNIXWCDZEURA-INIZCTEOSA-N 0 3 272.392 2.717 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000574958593 327667933 /nfs/dbraw/zinc/66/79/33/327667933.db2.gz DDPCHHKJDLQUDI-JQWIXIFHSA-N 0 3 299.212 2.822 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccoc1)C(C)C ZINC000163755894 327919497 /nfs/dbraw/zinc/91/94/97/327919497.db2.gz KOIHFAXFVAPWOK-MRXNPFEDSA-N 0 3 290.407 2.637 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1C[C@H]1C)C(C)C ZINC000570975457 327967839 /nfs/dbraw/zinc/96/78/39/327967839.db2.gz FABFDFLPFSVFDE-BZUAXINKSA-N 0 3 278.440 2.847 20 30 CFEDHN CC1CC(C#N)(C(=O)Nc2ccc(CN(C)C)cc2F)C1 ZINC000563273501 328006017 /nfs/dbraw/zinc/00/60/17/328006017.db2.gz AXOYUYBETNGQBK-UHFFFAOYSA-N 0 3 289.354 2.766 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCC1CCCCC1 ZINC000531650987 328021516 /nfs/dbraw/zinc/02/15/16/328021516.db2.gz PAEAYOCIZKUYGR-UHFFFAOYSA-N 0 3 266.429 2.971 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000563373700 328058169 /nfs/dbraw/zinc/05/81/69/328058169.db2.gz KRBWMQJTBWSIFX-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000563338723 328054889 /nfs/dbraw/zinc/05/48/89/328054889.db2.gz NCHVZAZVFSBWRL-CJNGLKHVSA-N 0 3 274.408 2.967 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc2c(n1)CCC2 ZINC000571142730 328087764 /nfs/dbraw/zinc/08/77/64/328087764.db2.gz DKZUGSNOKMYXKF-PBHICJAKSA-N 0 3 272.392 2.641 20 30 CFEDHN CC(C)(CCC#N)CNCc1cn2ccsc2n1 ZINC000266242092 328168600 /nfs/dbraw/zinc/16/86/00/328168600.db2.gz XSNRXJJCGDTLQG-UHFFFAOYSA-N 0 3 262.382 2.815 20 30 CFEDHN CC(C)(CCC#N)CNCc1cn2ccccc2n1 ZINC000266245462 328168547 /nfs/dbraw/zinc/16/85/47/328168547.db2.gz YJZQFZDOWJBXAL-UHFFFAOYSA-N 0 3 256.353 2.754 20 30 CFEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000267595642 328179150 /nfs/dbraw/zinc/17/91/50/328179150.db2.gz KNGPIXWDJVNNJX-UHFFFAOYSA-N 0 3 276.405 2.916 20 30 CFEDHN COCCOc1ccc([C@H](C)NCCCC#N)cc1OC ZINC000271811453 328197607 /nfs/dbraw/zinc/19/76/07/328197607.db2.gz ULVZJAUYDLUQLZ-ZDUSSCGKSA-N 0 3 292.379 2.675 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000274637488 328212134 /nfs/dbraw/zinc/21/21/34/328212134.db2.gz QGTYLPRENKNURE-YDHLFZDLSA-N 0 3 299.374 2.986 20 30 CFEDHN C=CCCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278837347 328231033 /nfs/dbraw/zinc/23/10/33/328231033.db2.gz ALPJDGBCNZFJDL-UHFFFAOYSA-N 0 3 295.390 2.867 20 30 CFEDHN C=CCOc1ccc(CNCCc2ncc(C)cn2)cc1 ZINC000340107227 328241167 /nfs/dbraw/zinc/24/11/67/328241167.db2.gz UXNOBVKZDMWGBB-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(N2CCCOC2=O)cc1 ZINC000292747287 328273183 /nfs/dbraw/zinc/27/31/83/328273183.db2.gz NRFIYHVOKNELDJ-CYBMUJFWSA-N 0 3 287.363 2.988 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2ccncc2F)CC1 ZINC000340478357 328282377 /nfs/dbraw/zinc/28/23/77/328282377.db2.gz JGUIQIVDSKXSPB-LBPRGKRZSA-N 0 3 263.360 2.522 20 30 CFEDHN C=CCOc1ccc(CNC2(COC)CC2)cc1OC ZINC000531957350 328339152 /nfs/dbraw/zinc/33/91/52/328339152.db2.gz MBGQUOWIMLFCMW-UHFFFAOYSA-N 0 3 277.364 2.529 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000534799570 328362119 /nfs/dbraw/zinc/36/21/19/328362119.db2.gz CSHNCIZYEXVDMW-HZPDHXFCSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCOc1ccccc1C(=O)NCCN(C)CCCC ZINC000112309384 328397059 /nfs/dbraw/zinc/39/70/59/328397059.db2.gz CCGFNLMMYWPQFD-UHFFFAOYSA-N 0 3 290.407 2.713 20 30 CFEDHN N#Cc1ccc(CNCCCCNc2ccccn2)o1 ZINC000174342274 323647302 /nfs/dbraw/zinc/64/73/02/323647302.db2.gz KIYRJGMHAVGNFU-UHFFFAOYSA-N 0 3 270.336 2.528 20 30 CFEDHN C[C@H](NCc1ccc(C(N)=O)cc1)c1cccc(C#N)c1 ZINC000174431178 323649205 /nfs/dbraw/zinc/64/92/05/323649205.db2.gz CYKOSIDYVBNIMW-LBPRGKRZSA-N 0 3 279.343 2.508 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415977867 328432031 /nfs/dbraw/zinc/43/20/31/328432031.db2.gz UGQXNTJPEZIQJA-GFCCVEGCSA-N 0 3 291.370 2.948 20 30 CFEDHN N#Cc1ccc(OCCN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195506274 324107657 /nfs/dbraw/zinc/10/76/57/324107657.db2.gz SLGINWQSOWDRQT-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN Cn1cc(CN[C@@H]2CC23CC3)c(-c2ccc(C#N)cc2)n1 ZINC000578005465 324807108 /nfs/dbraw/zinc/80/71/08/324807108.db2.gz OCQMJWJXDNGELU-OAHLLOKOSA-N 0 3 278.359 2.601 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000291566734 328533555 /nfs/dbraw/zinc/53/35/55/328533555.db2.gz NNTXVEDJYRZTNF-SDDRHHMPSA-N 0 3 276.405 2.925 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000291566732 328533592 /nfs/dbraw/zinc/53/35/92/328533592.db2.gz NNTXVEDJYRZTNF-IJLUTSLNSA-N 0 3 276.405 2.925 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000186700147 326794675 /nfs/dbraw/zinc/79/46/75/326794675.db2.gz LUAKNGVTUXBUFE-WDEREUQCSA-N 0 3 299.798 2.945 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000186711908 326796489 /nfs/dbraw/zinc/79/64/89/326796489.db2.gz NWGYFHNSIZQLSY-SMDDNHRTSA-N 0 3 255.308 2.943 20 30 CFEDHN CCCN(Cc1ccc(C)cc1)C(=O)[C@H](N)CCCC#N ZINC000564829888 326995122 /nfs/dbraw/zinc/99/51/22/326995122.db2.gz IMXJDKDNYJYUQF-MRXNPFEDSA-N 0 3 287.407 2.755 20 30 CFEDHN C=CCN(CCOC)CCN1CCCc2ccccc21 ZINC000564839414 327001852 /nfs/dbraw/zinc/00/18/52/327001852.db2.gz FAGZBGBWIPYGBG-UHFFFAOYSA-N 0 3 274.408 2.574 20 30 CFEDHN C=CCOc1ccccc1CNC[C@]1(C)CCOC1 ZINC000344389873 327040004 /nfs/dbraw/zinc/04/00/04/327040004.db2.gz KRWKFMWNDBLCIB-INIZCTEOSA-N 0 3 261.365 2.768 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000558518242 327101167 /nfs/dbraw/zinc/10/11/67/327101167.db2.gz DBZAWGYCZAOASC-JYJNAYRXSA-N 0 3 291.439 2.649 20 30 CFEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CC1 ZINC000559332480 327160692 /nfs/dbraw/zinc/16/06/92/327160692.db2.gz ICADBCSSONNVHP-CQSZACIVSA-N 0 3 288.391 2.918 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424999842 327167505 /nfs/dbraw/zinc/16/75/05/327167505.db2.gz ADXAKEAJFXOSJK-DLBZAZTESA-N 0 3 298.430 2.932 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(C(F)(F)F)c2)C1 ZINC000449436801 327207962 /nfs/dbraw/zinc/20/79/62/327207962.db2.gz GMRCFVRNHKTZCC-MWLCHTKSSA-N 0 3 269.270 2.882 20 30 CFEDHN Cn1nccc1-c1ccccc1CNCC1(CC#N)CC1 ZINC000560510069 327316753 /nfs/dbraw/zinc/31/67/53/327316753.db2.gz ZVWCQRLRVDACLD-UHFFFAOYSA-N 0 3 280.375 2.871 20 30 CFEDHN Cc1ccc(C(C)(C)CNC(=O)C(C)C#N)c(C)c1 ZINC000561386347 327391411 /nfs/dbraw/zinc/39/14/11/327391411.db2.gz KRLZWOGVTYBMHL-ZDUSSCGKSA-N 0 3 258.365 2.857 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(OC)cc1F ZINC000565084506 327459711 /nfs/dbraw/zinc/45/97/11/327459711.db2.gz WNCXTGJJPXVSLN-BBRMVZONSA-N 0 3 279.355 2.905 20 30 CFEDHN N#CCCNc1ccc(CCN2CCSCC2)cc1 ZINC000570155861 327572479 /nfs/dbraw/zinc/57/24/79/327572479.db2.gz VCAXDJWZRNSNNM-UHFFFAOYSA-N 0 3 275.421 2.603 20 30 CFEDHN CN(C)CCN(CCCC(C)(C)C#N)Cc1ccccn1 ZINC000570694078 327611622 /nfs/dbraw/zinc/61/16/22/327611622.db2.gz CORUPADITBANLS-UHFFFAOYSA-N 0 3 288.439 2.775 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354594238 328857920 /nfs/dbraw/zinc/85/79/20/328857920.db2.gz FUMTUIAOJYHCPZ-GJZGRUSLSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2ccncc2OC)CC1 ZINC000361532584 328925989 /nfs/dbraw/zinc/92/59/89/328925989.db2.gz YFCBYGUYIWUIFI-OAHLLOKOSA-N 0 3 289.423 2.957 20 30 CFEDHN CC1(C)CN(CCCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000375995137 329006156 /nfs/dbraw/zinc/00/61/56/329006156.db2.gz PFZLQENCMYVBJZ-YCPHGPKFSA-N 0 3 262.397 2.960 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000377397311 329014054 /nfs/dbraw/zinc/01/40/54/329014054.db2.gz JBFNBWPZZCLGKI-XYJFISCASA-N 0 3 299.418 2.660 20 30 CFEDHN N#CCCN(C(=O)CN1CCC[C@H]1C1CC1)c1ccccc1 ZINC000377533005 329017838 /nfs/dbraw/zinc/01/78/38/329017838.db2.gz DLXHYRWKOLTPNB-KRWDZBQOSA-N 0 3 297.402 2.808 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(-n3ccnc3)nc2)cc1 ZINC000377618069 329020651 /nfs/dbraw/zinc/02/06/51/329020651.db2.gz SORVXKDGJSNVCD-UHFFFAOYSA-N 0 3 288.354 2.538 20 30 CFEDHN C=CCN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377663901 329023632 /nfs/dbraw/zinc/02/36/32/329023632.db2.gz DAJRMVLWEBVBCS-KBPBESRZSA-N 0 3 268.763 3.000 20 30 CFEDHN N#CCSCCCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377768600 329028489 /nfs/dbraw/zinc/02/84/89/329028489.db2.gz RFTKNBKSVCJBFX-KGLIPLIRSA-N 0 3 280.437 2.667 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCCOC(C)(C)C2)cc1 ZINC000378346952 329046771 /nfs/dbraw/zinc/04/67/71/329046771.db2.gz TUISEYDAUSWNCJ-AWEZNQCLSA-N 0 3 288.391 2.978 20 30 CFEDHN Fc1ccc(C#CCN2CCCC23CCOCC3)cc1 ZINC000378358736 329047412 /nfs/dbraw/zinc/04/74/12/329047412.db2.gz FIPOWMBUORAZOL-UHFFFAOYSA-N 0 3 273.351 2.822 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](C)CC)CC1 ZINC000171557003 329077530 /nfs/dbraw/zinc/07/75/30/329077530.db2.gz ZEJWTPVYMGONIF-KGLIPLIRSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(F)cc1Cl ZINC000320980837 329078269 /nfs/dbraw/zinc/07/82/69/329078269.db2.gz HQKVSWRXDIMXOP-GFCCVEGCSA-N 0 3 257.736 2.896 20 30 CFEDHN CC#CCN(CCCO)[C@H]1CCCc2ccccc21 ZINC000174906318 329161682 /nfs/dbraw/zinc/16/16/82/329161682.db2.gz DUMZXRDZRNDFDB-KRWDZBQOSA-N 0 3 257.377 2.772 20 30 CFEDHN CCc1cccc(OC[C@@H](O)CNCC(C)(C)CC#N)c1 ZINC000514668283 329173036 /nfs/dbraw/zinc/17/30/36/329173036.db2.gz CXZAJBBDOFORHJ-HNNXBMFYSA-N 0 3 290.407 2.518 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(CC(C)C)CC2)CC1 ZINC000176586785 329176993 /nfs/dbraw/zinc/17/69/93/329176993.db2.gz NKFAWDQAYVZRDO-UHFFFAOYSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177159008 329181493 /nfs/dbraw/zinc/18/14/93/329181493.db2.gz COBVCOVVPHLKQK-UHFFFAOYSA-N 0 3 268.364 2.665 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)N(C)C(C)C ZINC000177686305 329188978 /nfs/dbraw/zinc/18/89/78/329188978.db2.gz MBKZVWOAQJSWCK-CQSZACIVSA-N 0 3 254.418 2.920 20 30 CFEDHN C[C@@H](O)[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000180855558 329223410 /nfs/dbraw/zinc/22/34/10/329223410.db2.gz DKVPCOBMQMOTBU-GDBMZVCRSA-N 0 3 288.391 2.572 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(C)cc1C ZINC000181327491 329231496 /nfs/dbraw/zinc/23/14/96/329231496.db2.gz DSVTXRJEEIYZSM-OAHLLOKOSA-N 0 3 263.381 2.551 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000184281631 329258711 /nfs/dbraw/zinc/25/87/11/329258711.db2.gz BWMIEHDRNGIJAP-INIZCTEOSA-N 0 3 286.350 2.914 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000321135023 329263899 /nfs/dbraw/zinc/26/38/99/329263899.db2.gz SGBOBXKRPVXOLH-TZMCWYRMSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000185123261 329268500 /nfs/dbraw/zinc/26/85/00/329268500.db2.gz ZULNRJKTSLTROB-AWEZNQCLSA-N 0 3 254.418 2.635 20 30 CFEDHN C=CCCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185484753 329274334 /nfs/dbraw/zinc/27/43/34/329274334.db2.gz VNKHSGLRVTVZEJ-ZDUSSCGKSA-N 0 3 256.353 2.884 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000582966210 329295039 /nfs/dbraw/zinc/29/50/39/329295039.db2.gz GTSJPDXYUUSEJD-CJNGLKHVSA-N 0 3 266.429 2.777 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000185632689 329328251 /nfs/dbraw/zinc/32/82/51/329328251.db2.gz DWPLZJVROAVBJO-UHFFFAOYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)c(F)c1 ZINC000321292680 329340768 /nfs/dbraw/zinc/34/07/68/329340768.db2.gz HNHFEBKGWBTIMH-ZYHUDNBSSA-N 0 3 255.308 2.943 20 30 CFEDHN CC#CCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186938578 329350549 /nfs/dbraw/zinc/35/05/49/329350549.db2.gz PARCMLOVRRWSBX-UHFFFAOYSA-N 0 3 275.367 2.609 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(F)ccc1F ZINC000321448570 329358174 /nfs/dbraw/zinc/35/81/74/329358174.db2.gz NPHQDCKXAAYHFN-PWSUYJOCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](C)COC ZINC000189764171 329385743 /nfs/dbraw/zinc/38/57/43/329385743.db2.gz CUAOWNSBYIPRLA-CQSZACIVSA-N 0 3 263.381 2.966 20 30 CFEDHN CCN(CC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000063510804 329386652 /nfs/dbraw/zinc/38/66/52/329386652.db2.gz CFYMMBUGQHJJTP-GOEBONIOSA-N 0 3 257.381 2.667 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(SC)CC1)C(C)C ZINC000189816879 329389197 /nfs/dbraw/zinc/38/91/97/329389197.db2.gz ICMHUSXQAFYCLP-CQSZACIVSA-N 0 3 296.480 2.697 20 30 CFEDHN COC(=O)C1CCN(CCCCC(C)(C)C#N)CC1 ZINC000234544854 329424503 /nfs/dbraw/zinc/42/45/03/329424503.db2.gz OYOUQRKJZLSQHJ-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN C=CCCCCCN1CCN(c2ccccn2)CC1 ZINC000193304754 329439643 /nfs/dbraw/zinc/43/96/43/329439643.db2.gz SVNCYGZSFGOARF-UHFFFAOYSA-N 0 3 259.397 2.950 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H](N3CCCC3)C2)CCCC1 ZINC000584510288 329504946 /nfs/dbraw/zinc/50/49/46/329504946.db2.gz WVESASQOIRRDBN-HNNXBMFYSA-N 0 3 276.424 2.820 20 30 CFEDHN C=C(C)CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000122567566 329553549 /nfs/dbraw/zinc/55/35/49/329553549.db2.gz WZRKFFQHLOTXQQ-UHFFFAOYSA-N 0 3 253.729 2.777 20 30 CFEDHN CS[C@H](C)CNC1CC(C#N)(c2ccccc2)C1 ZINC000136165984 329670985 /nfs/dbraw/zinc/67/09/85/329670985.db2.gz FTFZBBGQDWMIIG-LRVUVFPRSA-N 0 3 260.406 2.951 20 30 CFEDHN C[C@H](N[C@@H](C)c1ccc(C2CC2)cc1)C(=O)N(C)CCC#N ZINC000419332263 329717375 /nfs/dbraw/zinc/71/73/75/329717375.db2.gz DLEWXOZBKQFBHH-KBPBESRZSA-N 0 3 299.418 2.975 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C2CC2)cc1)C(=O)N(C)CCC#N ZINC000419332265 329717496 /nfs/dbraw/zinc/71/74/96/329717496.db2.gz DLEWXOZBKQFBHH-UONOGXRCSA-N 0 3 299.418 2.975 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246114568 329783012 /nfs/dbraw/zinc/78/30/12/329783012.db2.gz CHNBCVCORQLYLQ-FOLVSLTJSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000247581152 329882937 /nfs/dbraw/zinc/88/29/37/329882937.db2.gz ILKZNDALEAHGFX-OFQRWUPVSA-N 0 3 293.455 2.761 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](CC)CC#N)C[C@H]1C ZINC000248396988 329892296 /nfs/dbraw/zinc/89/22/96/329892296.db2.gz QYPZVCLICVWPEN-ZOBORPQBSA-N 0 3 266.385 2.636 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCC(C)CC1 ZINC000079871709 330063154 /nfs/dbraw/zinc/06/31/54/330063154.db2.gz JHOQYYSTBZLWGF-SHARSMKWSA-N 0 3 279.428 2.505 20 30 CFEDHN CN(C[C@H]1CCCN1C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000421709697 330069106 /nfs/dbraw/zinc/06/91/06/330069106.db2.gz GLUBPZPEUMCDHG-IAGOWNOFSA-N 0 3 299.418 2.627 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC000270065228 330072700 /nfs/dbraw/zinc/07/27/00/330072700.db2.gz QDMZBMWATYYURB-MRXNPFEDSA-N 0 3 294.439 2.514 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000423201789 330176752 /nfs/dbraw/zinc/17/67/52/330176752.db2.gz JKTWMSAXXMAIGK-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@H](C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423217908 330178946 /nfs/dbraw/zinc/17/89/46/330178946.db2.gz SRJBLYKPESMFGR-GXTWGEPZSA-N 0 3 260.381 2.793 20 30 CFEDHN CCC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424060678 330218607 /nfs/dbraw/zinc/21/86/07/330218607.db2.gz DBCQUCYEGWNPMW-CABCVRRESA-N 0 3 273.380 2.665 20 30 CFEDHN Cc1c(Cl)cccc1NC(=O)[C@H](N)CCCC#N ZINC000424072566 330220165 /nfs/dbraw/zinc/22/01/65/330220165.db2.gz CYRRJIKHXZHAEB-LLVKDONJSA-N 0 3 265.744 2.608 20 30 CFEDHN CN(Cc1cscn1)C(=O)C(C#N)CCc1ccccc1 ZINC000433318043 330221753 /nfs/dbraw/zinc/22/17/53/330221753.db2.gz MVRWGWDZDRXWEH-AWEZNQCLSA-N 0 3 299.399 2.874 20 30 CFEDHN CCCc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424089926 330224692 /nfs/dbraw/zinc/22/46/92/330224692.db2.gz WXTBZMBGQRVAKN-CYBMUJFWSA-N 0 3 259.353 2.599 20 30 CFEDHN CCC1CCC(N(C(=O)[C@@H](N)CCCC#N)C2CC2)CC1 ZINC000424093802 330226248 /nfs/dbraw/zinc/22/62/48/330226248.db2.gz KELQSGZLSQYYON-XUJLQICISA-N 0 3 291.439 2.967 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424094477 330226535 /nfs/dbraw/zinc/22/65/35/330226535.db2.gz LSEOVKWQPYMBAV-OCCSQVGLSA-N 0 3 271.364 2.548 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424094478 330226701 /nfs/dbraw/zinc/22/67/01/330226701.db2.gz LSEOVKWQPYMBAV-TZMCWYRMSA-N 0 3 271.364 2.548 20 30 CFEDHN Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424095715 330226956 /nfs/dbraw/zinc/22/69/56/330226956.db2.gz WUMQPUDEJIVEAK-CVEARBPZSA-N 0 3 285.391 2.680 20 30 CFEDHN Cc1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424098655 330230217 /nfs/dbraw/zinc/23/02/17/330230217.db2.gz LDIBDETWKPIIQV-ZFWWWQNUSA-N 0 3 273.380 2.536 20 30 CFEDHN CCCN(CC1CCCCC1)C(=O)[C@@H](N)CCCC#N ZINC000424105228 330234074 /nfs/dbraw/zinc/23/40/74/330234074.db2.gz VDISTELAONKZME-HNNXBMFYSA-N 0 3 279.428 2.826 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424127062 330259355 /nfs/dbraw/zinc/25/93/55/330259355.db2.gz PTCYXJFCVVSNLX-ZIAGYGMSSA-N 0 3 295.333 2.553 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000424130369 330261188 /nfs/dbraw/zinc/26/11/88/330261188.db2.gz FCRBAJPALRJVNZ-MRXNPFEDSA-N 0 3 299.418 2.537 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCc1cccc(CN(C)C)c1 ZINC000527796715 330283928 /nfs/dbraw/zinc/28/39/28/330283928.db2.gz ORVNTXFRRCEZHJ-UHFFFAOYSA-N 0 3 287.407 2.694 20 30 CFEDHN C[C@]1(CN[C@H]2CCC[C@H](C#N)C2)COc2ccccc2O1 ZINC000527934084 330297738 /nfs/dbraw/zinc/29/77/38/330297738.db2.gz OBNSICGTTMUOSL-ZQIUZPCESA-N 0 3 286.375 2.888 20 30 CFEDHN C=CCn1cc(CNC[C@H](C)CCc2ccccc2)nn1 ZINC000424166360 330309347 /nfs/dbraw/zinc/30/93/47/330309347.db2.gz ARXBSXPXDSSPBT-OAHLLOKOSA-N 0 3 284.407 2.823 20 30 CFEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)C[C@H]1c1ccccc1 ZINC000424173053 330313544 /nfs/dbraw/zinc/31/35/44/330313544.db2.gz MPVSPNJBHRHUIL-HOTGVXAUSA-N 0 3 299.418 2.660 20 30 CFEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)C[C@@H]1c1ccccc1 ZINC000424173056 330313632 /nfs/dbraw/zinc/31/36/32/330313632.db2.gz MPVSPNJBHRHUIL-HZPDHXFCSA-N 0 3 299.418 2.660 20 30 CFEDHN C=CCn1cc(CNC[C@@H](CC)c2ccccc2)nn1 ZINC000424173339 330313714 /nfs/dbraw/zinc/31/37/14/330313714.db2.gz PJTHCJRWHBEXEP-CQSZACIVSA-N 0 3 270.380 2.748 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424174236 330314343 /nfs/dbraw/zinc/31/43/43/330314343.db2.gz NZLMQLLRXWYJCQ-ZIAGYGMSSA-N 0 3 273.380 2.502 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2C(C)=CCC[C@H]2C)nn1 ZINC000424176860 330317296 /nfs/dbraw/zinc/31/72/96/330317296.db2.gz YTSGGWOJDDYZGI-UKRRQHHQSA-N 0 3 260.385 2.546 20 30 CFEDHN CC1(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424183362 330320053 /nfs/dbraw/zinc/32/00/53/330320053.db2.gz VMEDVCCCDXYTTE-LSDHHAIUSA-N 0 3 285.391 2.546 20 30 CFEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CCCC#N)CC2 ZINC000424185165 330320364 /nfs/dbraw/zinc/32/03/64/330320364.db2.gz FMHYCTDMEPXAJN-DLBZAZTESA-N 0 3 299.418 2.935 20 30 CFEDHN CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CCCC#N)CC2 ZINC000424185172 330320423 /nfs/dbraw/zinc/32/04/23/330320423.db2.gz FMHYCTDMEPXAJN-IRXDYDNUSA-N 0 3 299.418 2.935 20 30 CFEDHN C[C@H](CCNC(=O)[C@@H](N)CCCC#N)CC(C)(C)C ZINC000424186997 330320912 /nfs/dbraw/zinc/32/09/12/330320912.db2.gz JLTWOGIVXMHTRL-OLZOCXBDSA-N 0 3 267.417 2.586 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000424187837 330321124 /nfs/dbraw/zinc/32/11/24/330321124.db2.gz IRJRDAYARNSSIZ-HZPDHXFCSA-N 0 3 285.391 2.761 20 30 CFEDHN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H](N)CCCC#N)C2)c1 ZINC000424192825 330323967 /nfs/dbraw/zinc/32/39/67/330323967.db2.gz STJPGYHBPWUCFI-WBVHZDCISA-N 0 3 299.418 2.641 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC)CC(C)C)CC1 ZINC000106340580 330335409 /nfs/dbraw/zinc/33/54/09/330335409.db2.gz YUYYIVSZCREVGO-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCC[C@H]2C(C)C)nn1 ZINC000424295728 330335973 /nfs/dbraw/zinc/33/59/73/330335973.db2.gz NENYJTFHYDRQAG-LSDHHAIUSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCc2ccccc2F)nn1 ZINC000424297088 330336204 /nfs/dbraw/zinc/33/62/04/330336204.db2.gz PVKARZACJLTAJO-ZDUSSCGKSA-N 0 3 288.370 2.714 20 30 CFEDHN C=CCn1cc(CN[C@H](C)C(C)(C)c2ccccc2)nn1 ZINC000424298904 330336801 /nfs/dbraw/zinc/33/68/01/330336801.db2.gz ULEXYARZACQPGF-CQSZACIVSA-N 0 3 284.407 2.920 20 30 CFEDHN COCCc1nc(C)c([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424336671 330343360 /nfs/dbraw/zinc/34/33/60/330343360.db2.gz YFBWOJCFLXSFSA-KGYLQXTDSA-N 0 3 293.436 2.983 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc(OC)cc2)cc1 ZINC000045945922 330350132 /nfs/dbraw/zinc/35/01/32/330350132.db2.gz IYNHOVSQIRXALD-UHFFFAOYSA-N 0 3 281.355 2.997 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424418479 330350778 /nfs/dbraw/zinc/35/07/78/330350778.db2.gz BHSLDEWYWXIPIP-CYBMUJFWSA-N 0 3 261.369 2.930 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424435617 330352018 /nfs/dbraw/zinc/35/20/18/330352018.db2.gz LGGSIXZSKXYUBB-UHFFFAOYSA-N 0 3 261.369 2.884 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1ncc(F)cn1)C(C)C ZINC000119039673 330369447 /nfs/dbraw/zinc/36/94/47/330369447.db2.gz BUTDEOJJGWMKFA-CQSZACIVSA-N 0 3 278.375 2.726 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1sc(CCOC)nc1C ZINC000090451485 330392708 /nfs/dbraw/zinc/39/27/08/330392708.db2.gz MRQDVQXVDHHYFZ-LBPRGKRZSA-N 0 3 298.452 2.884 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[C@H](C)C2)CC1 ZINC000428633188 330528542 /nfs/dbraw/zinc/52/85/42/330528542.db2.gz VEQAHAYGCXHMBB-HOCLYGCPSA-N 0 3 293.455 2.857 20 30 CFEDHN CN(CC1CC1)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433012355 330612168 /nfs/dbraw/zinc/61/21/68/330612168.db2.gz KAIQSAPLPPZHSA-KRWDZBQOSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CC(C)(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000448596819 330716644 /nfs/dbraw/zinc/71/66/44/330716644.db2.gz VODJCXDUVUQGHX-UHFFFAOYSA-N 0 3 260.381 2.577 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cn3cccn3)cc2)C1 ZINC000442643063 330778033 /nfs/dbraw/zinc/77/80/33/330778033.db2.gz GIBVFNICJNPOHB-DLBZAZTESA-N 0 3 280.375 2.713 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)C1 ZINC000442714891 330780536 /nfs/dbraw/zinc/78/05/36/330780536.db2.gz MATJEJOZSTYPFD-RHSMWYFYSA-N 0 3 280.375 2.713 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000442790021 330783699 /nfs/dbraw/zinc/78/36/99/330783699.db2.gz FTHDNPAQAZWQHZ-AGIUHOORSA-N 0 3 291.345 2.825 20 30 CFEDHN N#C[C@H]1CC[C@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000442843138 330786331 /nfs/dbraw/zinc/78/63/31/330786331.db2.gz PSQYGHUSKWUERS-QWRGUYRKSA-N 0 3 299.296 2.761 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000442852046 330787056 /nfs/dbraw/zinc/78/70/56/330787056.db2.gz XMMHRAIKAJOPDX-JSGCOSHPSA-N 0 3 271.364 2.795 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000448919356 330888221 /nfs/dbraw/zinc/88/82/21/330888221.db2.gz ACPPUUDRGTVLHB-GOEBONIOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000448923350 330888475 /nfs/dbraw/zinc/88/84/75/330888475.db2.gz USRYSCOJUWFAOD-CJNGLKHVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235964 330908390 /nfs/dbraw/zinc/90/83/90/330908390.db2.gz IETLYSOGZQSGSS-MWLCHTKSSA-N 0 3 271.282 2.618 20 30 CFEDHN COc1ncc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000449461835 330927591 /nfs/dbraw/zinc/92/75/91/330927591.db2.gz RUOBVSPPLOJAEY-MWLCHTKSSA-N 0 3 265.744 2.525 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000449516648 330932782 /nfs/dbraw/zinc/93/27/82/330932782.db2.gz BNMIWJPPLZLPGU-XZJROXQQSA-N 0 3 274.364 2.639 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000449546423 330935237 /nfs/dbraw/zinc/93/52/37/330935237.db2.gz BRZGCNFBOTWJJT-HIFRSBDPSA-N 0 3 276.336 2.726 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC1=Cc2ccccc2OC1 ZINC000449548516 330935660 /nfs/dbraw/zinc/93/56/60/330935660.db2.gz OCFGUUQWWJCUIL-CVEARBPZSA-N 0 3 271.360 2.786 20 30 CFEDHN C=CCC[C@@H](CO)NCc1nc2ccc(F)cc2s1 ZINC000449694773 330944143 /nfs/dbraw/zinc/94/41/43/330944143.db2.gz CNRZYYKFYQLXQY-NSHDSACASA-N 0 3 280.368 2.852 20 30 CFEDHN C=CCC[C@H](CO)NCc1nc2ccc(OC)cc2s1 ZINC000449697975 330944426 /nfs/dbraw/zinc/94/44/26/330944426.db2.gz MNLLZUMFSIGNMX-LLVKDONJSA-N 0 3 292.404 2.722 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc2cc(F)ccc2o1 ZINC000449700588 330944851 /nfs/dbraw/zinc/94/48/51/330944851.db2.gz UMMGNSFWFOHICQ-ZDUSSCGKSA-N 0 3 263.312 2.989 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449712584 330945564 /nfs/dbraw/zinc/94/55/64/330945564.db2.gz SMSQZQFTQWJNIQ-VXGBXAGGSA-N 0 3 271.368 2.557 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000450100834 330961544 /nfs/dbraw/zinc/96/15/44/330961544.db2.gz BIAXZFLXSMPUGM-LRDDRELGSA-N 0 3 271.364 2.545 20 30 CFEDHN CN(Cc1cccnc1)C[C@H]1CCN(CC2(C#N)CCC2)C1 ZINC000450877934 331004287 /nfs/dbraw/zinc/00/42/87/331004287.db2.gz RJOGTPUMXXYDAI-QGZVFWFLSA-N 0 3 298.434 2.529 20 30 CFEDHN CN(CCCN(C)CC1(C#N)CCC1)Cc1ccco1 ZINC000451009690 331011675 /nfs/dbraw/zinc/01/16/75/331011675.db2.gz QVPZFAJOZOMJIB-UHFFFAOYSA-N 0 3 275.396 2.727 20 30 CFEDHN CC(C)(C#N)CCCCN[C@](C)(CO)c1cccc(O)c1 ZINC000451042726 331013196 /nfs/dbraw/zinc/01/31/96/331013196.db2.gz RBPVDVQIXNMSIQ-QGZVFWFLSA-N 0 3 290.407 2.909 20 30 CFEDHN CC[C@H]1[C@@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000451250285 331021968 /nfs/dbraw/zinc/02/19/68/331021968.db2.gz DFFCILYVMAYDQB-ZBFHGGJFSA-N 0 3 277.795 2.784 20 30 CFEDHN C[C@@]12CN(C[C@H](C#N)CCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369071 331025986 /nfs/dbraw/zinc/02/59/86/331025986.db2.gz NDIUFPLFFMXBRV-QRJUGERDSA-N 0 3 255.365 2.574 20 30 CFEDHN CC(C)(C#N)CCCNC(C)(C)c1nnc2n1CCCC2 ZINC000451400917 331027669 /nfs/dbraw/zinc/02/76/69/331027669.db2.gz CKBHPGXMQZYFEI-UHFFFAOYSA-N 0 3 289.427 2.769 20 30 CFEDHN CCO[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC000451480924 331031028 /nfs/dbraw/zinc/03/10/28/331031028.db2.gz QGGIHJAFRCTZMH-IRXDYDNUSA-N 0 3 269.388 2.975 20 30 CFEDHN CO[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1(C)C ZINC000451483169 331031276 /nfs/dbraw/zinc/03/12/76/331031276.db2.gz ASMVLMSBTPZLSI-CABCVRRESA-N 0 3 261.340 2.580 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451596674 331035512 /nfs/dbraw/zinc/03/55/12/331035512.db2.gz GTKDLEQSLLDRFT-GDLCADMTSA-N 0 3 262.309 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CCOC)c1ccccc1 ZINC000451607663 331036534 /nfs/dbraw/zinc/03/65/34/331036534.db2.gz LCUQMCNRTUMINR-XHSDSOJGSA-N 0 3 261.365 2.697 20 30 CFEDHN CO[C@@H]1CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000451631843 331037390 /nfs/dbraw/zinc/03/73/90/331037390.db2.gz MMGRRMIWCATYMN-HUUCEWRRSA-N 0 3 263.768 2.849 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCN(CC2(C#N)CC2)C1 ZINC000451717861 331040053 /nfs/dbraw/zinc/04/00/53/331040053.db2.gz ZONXVGPWAKJFTQ-MRXNPFEDSA-N 0 3 283.419 2.744 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCN(CC2(C#N)CC2)C1 ZINC000451717860 331040082 /nfs/dbraw/zinc/04/00/82/331040082.db2.gz ZONXVGPWAKJFTQ-INIZCTEOSA-N 0 3 283.419 2.744 20 30 CFEDHN C=C(C)CCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876220 331045724 /nfs/dbraw/zinc/04/57/24/331045724.db2.gz AIYZNRHVJNDOIL-GFCCVEGCSA-N 0 3 264.335 2.769 20 30 CFEDHN CN(CC1(C#N)CCC1)C1CCN(CC(F)(F)F)CC1 ZINC000452031004 331051098 /nfs/dbraw/zinc/05/10/98/331051098.db2.gz IYZAPHWWVXSMJZ-UHFFFAOYSA-N 0 3 289.345 2.639 20 30 CFEDHN OCCC[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000452132814 331055437 /nfs/dbraw/zinc/05/54/37/331055437.db2.gz RFDBYRCJQBGBEQ-HNNXBMFYSA-N 0 3 277.795 2.786 20 30 CFEDHN C=C(C)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000452722982 331074021 /nfs/dbraw/zinc/07/40/21/331074021.db2.gz LULBBZPHPSKYPC-UHFFFAOYSA-N 0 3 286.419 2.981 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000452777098 331076767 /nfs/dbraw/zinc/07/67/67/331076767.db2.gz UCHJFSCZUJHZQS-AVGNSLFASA-N 0 3 252.402 2.576 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H]1C1CC1 ZINC000453009432 331083375 /nfs/dbraw/zinc/08/33/75/331083375.db2.gz FUTCZPIVZBEKNK-IAGOWNOFSA-N 0 3 287.403 2.639 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@H](C)c2ccsc21 ZINC000453178596 331097708 /nfs/dbraw/zinc/09/77/08/331097708.db2.gz HTNMLSPLULUHIN-JQWIXIFHSA-N 0 3 264.394 2.578 20 30 CFEDHN C=CC(C)(C)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000453308324 331114326 /nfs/dbraw/zinc/11/43/26/331114326.db2.gz NHVCSUUWYNTOBS-CYBMUJFWSA-N 0 3 256.353 2.696 20 30 CFEDHN C=CC(C)(C)C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000453308324 331114327 /nfs/dbraw/zinc/11/43/27/331114327.db2.gz NHVCSUUWYNTOBS-CYBMUJFWSA-N 0 3 256.353 2.696 20 30 CFEDHN C=C(C)CCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000453319013 331115957 /nfs/dbraw/zinc/11/59/57/331115957.db2.gz MVFOESSVTUXJIX-ZDUSSCGKSA-N 0 3 260.316 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(F)c1F ZINC000453344042 331119510 /nfs/dbraw/zinc/11/95/10/331119510.db2.gz FFUJYGPUVNWWHT-BIMULSAOSA-N 0 3 253.292 2.959 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000453353293 331121037 /nfs/dbraw/zinc/12/10/37/331121037.db2.gz LFZOFVOOWMJBSU-GXTWGEPZSA-N 0 3 280.387 2.869 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453358427 331122114 /nfs/dbraw/zinc/12/21/14/331122114.db2.gz OBYTVXKVZHCDLV-QWHCGFSZSA-N 0 3 278.352 2.881 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](COC)c1ccc(Cl)cc1 ZINC000453365249 331123153 /nfs/dbraw/zinc/12/31/53/331123153.db2.gz RGSVGLRHBNRBBY-LSDHHAIUSA-N 0 3 283.799 2.944 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(C(=O)OC)cs1 ZINC000453365305 331123215 /nfs/dbraw/zinc/12/32/15/331123215.db2.gz RLCYUCGNPKDKFJ-PWSUYJOCSA-N 0 3 283.393 2.512 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1sc(CC)nc1C ZINC000453369241 331123853 /nfs/dbraw/zinc/12/38/53/331123853.db2.gz SVZQDDDRENLOLH-CMPLNLGQSA-N 0 3 268.426 2.992 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N(C)[C@H]1CCN(C(C)C)C1 ZINC000453451618 331132466 /nfs/dbraw/zinc/13/24/66/331132466.db2.gz SJKVGMNKCLVSFJ-AWEZNQCLSA-N 0 3 291.443 2.506 20 30 CFEDHN C=CCOc1cccc(CNC[C@@H]2CC[C@H](C)O2)c1 ZINC000453626773 331137262 /nfs/dbraw/zinc/13/72/62/331137262.db2.gz GZZQTZREXMPAMF-BBRMVZONSA-N 0 3 261.365 2.909 20 30 CFEDHN C=C(CC)CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000454216499 331142038 /nfs/dbraw/zinc/14/20/38/331142038.db2.gz OVJDUBIPZFYYAM-UHFFFAOYSA-N 0 3 275.396 2.514 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000454449779 331146369 /nfs/dbraw/zinc/14/63/69/331146369.db2.gz GYRWEICSKJBMKX-INIZCTEOSA-N 0 3 289.423 2.863 20 30 CFEDHN C=CCC1(CNC(=O)NC2CCN(C)CC2)CCCC1 ZINC000454605231 331149663 /nfs/dbraw/zinc/14/96/63/331149663.db2.gz CBCVMEJIFOVUNE-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCC1(CNC(=O)NCCN(C)C2CC2)CCCC1 ZINC000454636027 331150254 /nfs/dbraw/zinc/15/02/54/331150254.db2.gz FBEZYJINHBAJLW-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=C(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000456116416 331184558 /nfs/dbraw/zinc/18/45/58/331184558.db2.gz DNMZVERTMSRKLI-OAHLLOKOSA-N 0 3 256.349 2.841 20 30 CFEDHN CC(C#N)C(=O)NC1(Cc2cccc(Cl)c2)CC1 ZINC000456720895 331199081 /nfs/dbraw/zinc/19/90/81/331199081.db2.gz FIGBGYUPRVEWII-SNVBAGLBSA-N 0 3 262.740 2.691 20 30 CFEDHN C=C(CC)CNC(=O)C(C#N)CCc1ccccc1 ZINC000456814121 331205309 /nfs/dbraw/zinc/20/53/09/331205309.db2.gz SVQKPIPKHGGMCM-HNNXBMFYSA-N 0 3 256.349 2.841 20 30 CFEDHN C=C(CC)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000456823146 331205860 /nfs/dbraw/zinc/20/58/60/331205860.db2.gz BBQHXRJMLAAAID-AWEZNQCLSA-N 0 3 252.402 2.579 20 30 CFEDHN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)C(C)C#N ZINC000456880743 331208228 /nfs/dbraw/zinc/20/82/28/331208228.db2.gz MBQDMSAXHDGMKA-JTQLQIEISA-N 0 3 298.745 2.614 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCCC1(C)C ZINC000457048898 331210901 /nfs/dbraw/zinc/21/09/01/331210901.db2.gz DXHATHDFTNPFRZ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(C)(CC#N)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000457988223 331239002 /nfs/dbraw/zinc/23/90/02/331239002.db2.gz KZRXYQFOUCTYIY-UHFFFAOYSA-N 0 3 299.418 2.952 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458081486 331242384 /nfs/dbraw/zinc/24/23/84/331242384.db2.gz HMFKSAKWKJPGJU-BPLDGKMQSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458213722 331245272 /nfs/dbraw/zinc/24/52/72/331245272.db2.gz CIIWWDIZRQMGKI-UHFFFAOYSA-N 0 3 280.437 2.995 20 30 CFEDHN C=CCCC(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458288539 331247380 /nfs/dbraw/zinc/24/73/80/331247380.db2.gz LZPTZEXGAIJAMO-UHFFFAOYSA-N 0 3 280.343 2.671 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](CCC)C2CCC2)CC1 ZINC000458332353 331249122 /nfs/dbraw/zinc/24/91/22/331249122.db2.gz JJVNUZSNMFUCEK-MRXNPFEDSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCN1CCC(NC(=O)NC23CCC(CC2)CC3)CC1 ZINC000458336013 331249356 /nfs/dbraw/zinc/24/93/56/331249356.db2.gz OYXGXOABLWABQY-UHFFFAOYSA-N 0 3 291.439 2.659 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000458808878 331260615 /nfs/dbraw/zinc/26/06/15/331260615.db2.gz JUZCJRRIGKNYIP-KGLIPLIRSA-N 0 3 281.444 2.713 20 30 CFEDHN CC#CCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459534429 331286334 /nfs/dbraw/zinc/28/63/34/331286334.db2.gz QDQRGOOGFWQVRY-INIZCTEOSA-N 0 3 257.377 2.893 20 30 CFEDHN C=CCCCN1CCc2c(cccc2C(=O)OC)C1 ZINC000459549453 331287283 /nfs/dbraw/zinc/28/72/83/331287283.db2.gz RQIMEAJMNGBTKL-UHFFFAOYSA-N 0 3 259.349 2.798 20 30 CFEDHN C[C@@H](NCCCSCC#N)c1nc2c(s1)CCC2 ZINC000459630358 331291110 /nfs/dbraw/zinc/29/11/10/331291110.db2.gz GESBFXUWDDGLSO-SNVBAGLBSA-N 0 3 281.450 2.929 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000459726325 331295940 /nfs/dbraw/zinc/29/59/40/331295940.db2.gz DZNJSSWWYRDYSK-LBPRGKRZSA-N 0 3 294.420 2.681 20 30 CFEDHN Cc1nc2ccccn2c1CNCC(C)(C)CC#N ZINC000459730456 331296463 /nfs/dbraw/zinc/29/64/63/331296463.db2.gz MNVUKHCWBYMFPT-UHFFFAOYSA-N 0 3 256.353 2.672 20 30 CFEDHN CC#CCCN1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000462476666 331322665 /nfs/dbraw/zinc/32/26/65/331322665.db2.gz VFRWOGOIFVMBRU-SFHVURJKSA-N 0 3 270.420 2.996 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000473823897 331558422 /nfs/dbraw/zinc/55/84/22/331558422.db2.gz YCHXSJYFVOYFJI-QLFBSQMISA-N 0 3 293.455 2.713 20 30 CFEDHN C=CCCCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000474075898 331568205 /nfs/dbraw/zinc/56/82/05/331568205.db2.gz YOXKQLJJSJNVSW-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@H]1[C@H](CO)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000488753744 332023946 /nfs/dbraw/zinc/02/39/46/332023946.db2.gz NNSQZUNWIBTZSB-JSGCOSHPSA-N 0 3 297.320 2.760 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[C@@H](F)C1 ZINC000488877774 332031309 /nfs/dbraw/zinc/03/13/09/332031309.db2.gz IZCRLAJJLQBYOO-RRFJBIMHSA-N 0 3 274.339 2.766 20 30 CFEDHN C=CCn1cccc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000488882077 332031826 /nfs/dbraw/zinc/03/18/26/332031826.db2.gz PZLPUPSCQIQCJI-HUUCEWRRSA-N 0 3 289.423 2.667 20 30 CFEDHN C=C(CNC(=O)[C@H]1CCCN1CCC)c1ccccc1 ZINC000488904250 332033184 /nfs/dbraw/zinc/03/31/84/332033184.db2.gz BCLZDOFMRKDDMS-MRXNPFEDSA-N 0 3 272.392 2.690 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccc(F)cc1 ZINC000489493953 332056459 /nfs/dbraw/zinc/05/64/59/332056459.db2.gz IKNYGSHQQCMKKJ-LSDHHAIUSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000490254041 332085552 /nfs/dbraw/zinc/08/55/52/332085552.db2.gz SQKHPONNQRCRIA-PVAVHDDUSA-N 0 3 286.419 2.945 20 30 CFEDHN C#CCN(CC)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000490874217 332123714 /nfs/dbraw/zinc/12/37/14/332123714.db2.gz LRJBOXNTMUORPV-KRWDZBQOSA-N 0 3 273.376 2.700 20 30 CFEDHN C#C[C@H](C)N(C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000491253891 332175084 /nfs/dbraw/zinc/17/50/84/332175084.db2.gz PXEXBYJXUUNIOL-AWEZNQCLSA-N 0 3 284.403 2.765 20 30 CFEDHN C#C[C@H](N[C@@H](C)C1CCOCC1)c1ccc(F)cc1 ZINC000491275325 332178870 /nfs/dbraw/zinc/17/88/70/332178870.db2.gz CWGYVVSLNIJOIE-LRDDRELGSA-N 0 3 261.340 2.905 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000172796729 332947433 /nfs/dbraw/zinc/94/74/33/332947433.db2.gz IEMYCYLSVQAFKD-CYBMUJFWSA-N 0 3 280.412 2.635 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OCC=C)c(OC)c1 ZINC000491349906 332194931 /nfs/dbraw/zinc/19/49/31/332194931.db2.gz KZLWQAMZEMBDBK-AWEZNQCLSA-N 0 3 259.349 2.761 20 30 CFEDHN C#C[C@H](NC1CCN(CC(F)F)CC1)c1ccc(F)cc1 ZINC000491408931 332207085 /nfs/dbraw/zinc/20/70/85/332207085.db2.gz XSHUQJKGKOBLFR-HNNXBMFYSA-N 0 3 296.336 2.819 20 30 CFEDHN C#CCN(C[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000491628341 332251727 /nfs/dbraw/zinc/25/17/27/332251727.db2.gz VFMFHPOXZFWRDT-RDJZCZTQSA-N 0 3 295.382 2.705 20 30 CFEDHN C#C[C@H](CC)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000491632740 332254753 /nfs/dbraw/zinc/25/47/53/332254753.db2.gz QJYFTCWGEWAUNI-BRADTZPFSA-N 0 3 258.321 3.000 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000491635029 332256323 /nfs/dbraw/zinc/25/63/23/332256323.db2.gz KDZGFOTXXKIOEV-YOEHRIQHSA-N 0 3 273.376 2.698 20 30 CFEDHN C#C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000491638290 332258991 /nfs/dbraw/zinc/25/89/91/332258991.db2.gz XDUSJTVDVUHABS-HOTGVXAUSA-N 0 3 286.419 2.844 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000491664442 332273264 /nfs/dbraw/zinc/27/32/64/332273264.db2.gz IZZBOXBHJGMBFB-LLVKDONJSA-N 0 3 298.308 2.988 20 30 CFEDHN C#C[C@H](CC)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000491732174 332313561 /nfs/dbraw/zinc/31/35/61/332313561.db2.gz HGJQWJHPCJVXOL-OIISXLGYSA-N 0 3 299.418 2.533 20 30 CFEDHN C#C[C@H](NCCC(=O)Nc1cc(F)cc(F)c1)C(C)C ZINC000491794899 332354327 /nfs/dbraw/zinc/35/43/27/332354327.db2.gz TUYOVCMVDHXUHZ-AWEZNQCLSA-N 0 3 280.318 2.541 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)/C=C\CN(C)C ZINC000491960142 332377270 /nfs/dbraw/zinc/37/72/70/332377270.db2.gz HAEULTNGJPFRDL-FLIBITNWSA-N 0 3 272.392 2.709 20 30 CFEDHN C=CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 ZINC000492279944 332390560 /nfs/dbraw/zinc/39/05/60/332390560.db2.gz YXXGZOFJMGIOQO-LLVKDONJSA-N 0 3 254.374 2.550 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494954833 332494284 /nfs/dbraw/zinc/49/42/84/332494284.db2.gz HJOKHRNYLGIGBI-ZDUSSCGKSA-N 0 3 285.391 2.733 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCC2CCC2)CC1 ZINC000176523477 333042901 /nfs/dbraw/zinc/04/29/01/333042901.db2.gz KNTOIHFCRQLFHZ-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(C)Cc1ccc([C@H](NCC(=O)NCC#N)C2CC2)cc1 ZINC000152570347 333181679 /nfs/dbraw/zinc/18/16/79/333181679.db2.gz JNXWNNFKJLVRQX-SFHVURJKSA-N 0 3 299.418 2.566 20 30 CFEDHN C=C(C)CN(C)CCOCC(F)(F)C(F)(F)F ZINC000189875353 333199633 /nfs/dbraw/zinc/19/96/33/333199633.db2.gz JVJJFJMYOHMHNV-UHFFFAOYSA-N 0 3 261.234 2.709 20 30 CFEDHN Cc1noc(C)c1CO[C@H]1CCN([C@@H](C)CCC#N)C1 ZINC000575848662 335123131 /nfs/dbraw/zinc/12/31/31/335123131.db2.gz BCSUXBRSKXYHQV-FZMZJTMJSA-N 0 3 277.368 2.575 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(OCC#N)cc1 ZINC000224761330 333225398 /nfs/dbraw/zinc/22/53/98/333225398.db2.gz SZQICFHQSPHVHL-NEPJUHHUSA-N 0 3 270.336 2.724 20 30 CFEDHN C=CCCCCCN[C@](C)(C(N)=O)c1ccccc1 ZINC000193420171 333249668 /nfs/dbraw/zinc/24/96/68/333249668.db2.gz HYNXHWQMQAEUMU-INIZCTEOSA-N 0 3 260.381 2.723 20 30 CFEDHN C=CCCCCCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000193571326 333253410 /nfs/dbraw/zinc/25/34/10/333253410.db2.gz PLTQXLOHZJALNU-OAHLLOKOSA-N 0 3 268.445 2.510 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230313671 333316296 /nfs/dbraw/zinc/31/62/96/333316296.db2.gz MBDCXVYUVIYWED-DLBZAZTESA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CCC[C@@H](O)C1 ZINC000230669818 333320331 /nfs/dbraw/zinc/32/03/31/333320331.db2.gz BSQHLFAPQQVQOT-GOEBONIOSA-N 0 3 275.392 2.892 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000528757070 333455742 /nfs/dbraw/zinc/45/57/42/333455742.db2.gz BDZTVOFPDGILRP-JFILPPLUSA-N 0 3 261.340 2.579 20 30 CFEDHN CN1CCC(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000173882023 335142690 /nfs/dbraw/zinc/14/26/90/335142690.db2.gz DKXOLJVRYWJJCN-UHFFFAOYSA-N 0 3 285.391 2.768 20 30 CFEDHN C=CCCCCN1CCN(Cc2cccnc2)CC1 ZINC000576075801 335149767 /nfs/dbraw/zinc/14/97/67/335149767.db2.gz UDNLZOOQSXEARY-UHFFFAOYSA-N 0 3 259.397 2.556 20 30 CFEDHN C=CCCC[C@H](C)N[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000542209835 333816182 /nfs/dbraw/zinc/81/61/82/333816182.db2.gz JBHQCEPSQYTGQH-SWLSCSKDSA-N 0 3 278.371 2.557 20 30 CFEDHN CCN1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000135028451 334112761 /nfs/dbraw/zinc/11/27/61/334112761.db2.gz DWZSSAJYBHYLOP-UHFFFAOYSA-N 0 3 276.811 2.719 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000135341397 334126744 /nfs/dbraw/zinc/12/67/44/334126744.db2.gz MSUGRURKHQHIEN-LXZKKBNFSA-N 0 3 291.439 2.695 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2cccc(C)c2)CC1 ZINC000078170799 334127158 /nfs/dbraw/zinc/12/71/58/334127158.db2.gz LSVFHFMVHJIYRX-MRXNPFEDSA-N 0 3 298.430 2.560 20 30 CFEDHN C[C@H]1CCC[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078538893 334135689 /nfs/dbraw/zinc/13/56/89/334135689.db2.gz UDSYFPFKNUTMCN-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000245418543 334191545 /nfs/dbraw/zinc/19/15/45/334191545.db2.gz AWIBTQSAYIFQTO-HLLBOEOZSA-N 0 3 291.439 2.840 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H](c1ccccc1)N1CCCC1 ZINC000551683444 334257667 /nfs/dbraw/zinc/25/76/67/334257667.db2.gz KEVKDARPYYGGQM-AEFFLSMTSA-N 0 3 296.418 2.857 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248397374 334300101 /nfs/dbraw/zinc/30/01/01/334300101.db2.gz LPFDDKOOOGKEQR-DJIMGWMZSA-N 0 3 271.408 2.789 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000552214920 334304097 /nfs/dbraw/zinc/30/40/97/334304097.db2.gz VAWDDHUQFVMEJP-JFIYKMOQSA-N 0 3 296.418 2.855 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCCC[C@H]1C ZINC000248885682 334320717 /nfs/dbraw/zinc/32/07/17/334320717.db2.gz DXLVAQHOPHUQBA-HIFRSBDPSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248890755 334321200 /nfs/dbraw/zinc/32/12/00/334321200.db2.gz FSHMQRKHWSFOJK-IIAWOOMASA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCNC(=O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000090010688 334355536 /nfs/dbraw/zinc/35/55/36/334355536.db2.gz DPIZHQXQUNEYIL-QGZVFWFLSA-N 0 3 286.419 2.776 20 30 CFEDHN CC1(C#N)CCC(NCc2ncnn2-c2ccccc2)CC1 ZINC000556151937 334497558 /nfs/dbraw/zinc/49/75/58/334497558.db2.gz OEURPTRRKZAIEL-UHFFFAOYSA-N 0 3 295.390 2.829 20 30 CFEDHN CC[C@](C)(C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000564670572 334516139 /nfs/dbraw/zinc/51/61/39/334516139.db2.gz LURRCHNOBXUZIB-QGZVFWFLSA-N 0 3 285.391 2.704 20 30 CFEDHN Cc1cc(CCNC[C@@H](C#N)CCC#N)cc(C)c1O ZINC000567699296 334753130 /nfs/dbraw/zinc/75/31/30/334753130.db2.gz IIYOMQIKRHFQNA-OAHLLOKOSA-N 0 3 271.364 2.585 20 30 CFEDHN C[C@@H]1C[C@H](NCc2cccc(OCCCC#N)c2)CO1 ZINC000567854014 334768649 /nfs/dbraw/zinc/76/86/49/334768649.db2.gz WLEMEYGSHFVPSJ-HIFRSBDPSA-N 0 3 274.364 2.636 20 30 CFEDHN Cc1ccc(OC[C@H](O)CNCC(C)(C)CC#N)c(C)c1 ZINC000568384550 334821306 /nfs/dbraw/zinc/82/13/06/334821306.db2.gz MSQGMDFYTVNKQB-OAHLLOKOSA-N 0 3 290.407 2.573 20 30 CFEDHN N#CCCNCCCC(=O)Nc1ccc(Cl)cc1 ZINC000568741565 334838366 /nfs/dbraw/zinc/83/83/66/334838366.db2.gz XUYQRBNBYYMLFJ-UHFFFAOYSA-N 0 3 265.744 2.562 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000577514583 335363213 /nfs/dbraw/zinc/36/32/13/335363213.db2.gz JLYNYOVYQCNNGK-KRWDZBQOSA-N 0 3 284.403 2.840 20 30 CFEDHN C=CC[C@@H]1N(C(=O)CN2CC[C@@H](C)C2)CCCC1(C)C ZINC000577744786 335396040 /nfs/dbraw/zinc/39/60/40/335396040.db2.gz WQARMUCLEBGDHV-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN O[C@H](CNCC#Cc1cccc(F)c1)CC1CCCC1 ZINC000577842745 335409756 /nfs/dbraw/zinc/40/97/56/335409756.db2.gz BLVMNLLKDYTOCO-KRWDZBQOSA-N 0 3 275.367 2.708 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN[C@@H](CC)CC#N ZINC000579001402 335698409 /nfs/dbraw/zinc/69/84/09/335698409.db2.gz QRQJXRPGWMGVRR-LBPRGKRZSA-N 0 3 254.374 2.638 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCCCC1 ZINC000183500165 335895534 /nfs/dbraw/zinc/89/55/34/335895534.db2.gz UQHNZPRLVLPOEK-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000581079539 336005602 /nfs/dbraw/zinc/00/56/02/336005602.db2.gz DLZHVQMKDUYYGW-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)nsc1C ZINC000581675551 336126596 /nfs/dbraw/zinc/12/65/96/336126596.db2.gz WPGGSEKXSKDVEE-OLZOCXBDSA-N 0 3 252.383 2.583 20 30 CFEDHN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CCCC ZINC001085641742 782122158 /nfs/dbraw/zinc/12/21/58/782122158.db2.gz VXBNGQPZNSBDBA-OAHLLOKOSA-N 0 3 289.423 2.621 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085709105 782139321 /nfs/dbraw/zinc/13/93/21/782139321.db2.gz YXKWTLOULANIRC-OAHLLOKOSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735425 782147225 /nfs/dbraw/zinc/14/72/25/782147225.db2.gz HFWQZCVZUSAFSC-BFYDXBDKSA-N 0 3 276.424 2.676 20 30 CFEDHN N#CC1(CNc2ccc(CN3CCCC3)cn2)CCC1 ZINC001154995727 782150274 /nfs/dbraw/zinc/15/02/74/782150274.db2.gz VMBVCUDUIFVNFD-UHFFFAOYSA-N 0 3 270.380 2.783 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000174509348 520428006 /nfs/dbraw/zinc/42/80/06/520428006.db2.gz VIILMRYSZUDBHL-UONOGXRCSA-N 0 3 260.337 2.589 20 30 CFEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413078437 533867213 /nfs/dbraw/zinc/86/72/13/533867213.db2.gz TZSPXSVFELTJCG-XQQFMLRXSA-N 0 3 290.386 2.871 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085776498 782157763 /nfs/dbraw/zinc/15/77/63/782157763.db2.gz UCGQLUBUFZFAAL-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1ccc(F)c(C#N)c1 ZINC000305059068 518663035 /nfs/dbraw/zinc/66/30/35/518663035.db2.gz PHWPCVFXALRSRK-UHFFFAOYSA-N 0 3 278.371 2.928 20 30 CFEDHN CC(C)[C@H](CCO)NCc1ccc(C#N)cc1Cl ZINC000221121970 519813892 /nfs/dbraw/zinc/81/38/92/519813892.db2.gz VKJRFLKKZZKBMI-AWEZNQCLSA-N 0 3 266.772 2.708 20 30 CFEDHN Cc1ccc2cc(C(=O)C(C#N)c3ccncn3)ccc2n1 ZINC000354472736 534466716 /nfs/dbraw/zinc/46/67/16/534466716.db2.gz VAJGNAOCPZOIRU-AWEZNQCLSA-N 0 3 288.310 2.823 20 30 CFEDHN CCOC[C@@H](NCc1cccc(C#N)c1F)C(C)C ZINC000233735799 520087717 /nfs/dbraw/zinc/08/77/17/520087717.db2.gz DOKFKBCYRQBIJE-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000226266568 520550371 /nfs/dbraw/zinc/55/03/71/520550371.db2.gz BLZPNBSVONXISQ-OLZOCXBDSA-N 0 3 264.394 2.913 20 30 CFEDHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000069238166 520963876 /nfs/dbraw/zinc/96/38/76/520963876.db2.gz IZCVXMDQLGFOOY-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN CCN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000067347824 521582266 /nfs/dbraw/zinc/58/22/66/521582266.db2.gz JHNAISOKRKKARK-UHFFFAOYSA-N 0 3 264.760 2.503 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085782060 782162754 /nfs/dbraw/zinc/16/27/54/782162754.db2.gz MDYCQOHNYDPOGN-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN CN(C)c1cccc(NCc2c(F)cc(C#N)cc2F)n1 ZINC000192755272 522282336 /nfs/dbraw/zinc/28/23/36/522282336.db2.gz DPGXNAQZOZZGDC-UHFFFAOYSA-N 0 3 288.301 2.910 20 30 CFEDHN Cc1nc2c(cccc2C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)o1 ZINC000329980101 534626191 /nfs/dbraw/zinc/62/61/91/534626191.db2.gz KQWNPABGYGBFQO-CMPLNLGQSA-N 0 3 287.363 2.924 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000192179503 522871501 /nfs/dbraw/zinc/87/15/01/522871501.db2.gz SALHSQRHARNSMX-CABCVRRESA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(C#N)cs1 ZINC000084189144 523023315 /nfs/dbraw/zinc/02/33/15/523023315.db2.gz OSIGIWHQYRHGGX-ZDUSSCGKSA-N 0 3 291.420 2.614 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H](CO)C(C)(C)C ZINC000192120436 523207459 /nfs/dbraw/zinc/20/74/59/523207459.db2.gz MQPGLFCBDGROAR-AWEZNQCLSA-N 0 3 264.344 2.536 20 30 CFEDHN CN(Cc1cccc(C#N)c1F)CC1CCOCC1 ZINC000223572696 523297708 /nfs/dbraw/zinc/29/77/08/523297708.db2.gz ZWVMQSKHDMUXDC-UHFFFAOYSA-N 0 3 262.328 2.556 20 30 CFEDHN CN(Cc1cccc(C#N)c1F)C[C@H]1CCCOC1 ZINC000223538184 523298253 /nfs/dbraw/zinc/29/82/53/523298253.db2.gz ZQXZUWCVNCSHKR-GFCCVEGCSA-N 0 3 262.328 2.556 20 30 CFEDHN COc1ccc(C#N)cc1CN(CC1CCC1)[C@H](C)CO ZINC000361487374 523519265 /nfs/dbraw/zinc/51/92/65/523519265.db2.gz VHTNISOJUWLDMI-CYBMUJFWSA-N 0 3 288.391 2.550 20 30 CFEDHN Cc1cccc(CNC(=O)C(C)C#N)c1Br ZINC000336533459 534715777 /nfs/dbraw/zinc/71/57/77/534715777.db2.gz ODHQGKYDJSEHDF-VIFPVBQESA-N 0 3 281.153 2.533 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000234827080 523773637 /nfs/dbraw/zinc/77/36/37/523773637.db2.gz GJZANJGSEWSBAW-UONOGXRCSA-N 0 3 262.328 2.600 20 30 CFEDHN CN1CC[C@H](CSc2nc3c(cc2C#N)CCCC3)C1 ZINC000191051412 523982500 /nfs/dbraw/zinc/98/25/00/523982500.db2.gz XOFBIKNBWUNRSH-LBPRGKRZSA-N 0 3 287.432 2.876 20 30 CFEDHN C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092586201 524096333 /nfs/dbraw/zinc/09/63/33/524096333.db2.gz SQGCIOUIZOCBFF-ZDUSSCGKSA-N 0 3 268.364 2.828 20 30 CFEDHN COc1ccccc1CCN(C)Cc1cc(C#N)n(C)c1 ZINC000191327811 524409329 /nfs/dbraw/zinc/40/93/29/524409329.db2.gz HFNWSBWUUOGGBL-UHFFFAOYSA-N 0 3 283.375 2.580 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncccc1C#N ZINC000274191415 524633424 /nfs/dbraw/zinc/63/34/24/524633424.db2.gz QWFMCFMNTWGMMQ-WMLDXEAASA-N 0 3 292.386 2.886 20 30 CFEDHN Cc1cc(CN2CCCC[C@H]2[C@@H](C)O)ccc1C#N ZINC000336302978 524680364 /nfs/dbraw/zinc/68/03/64/524680364.db2.gz QKBROONKDLMKDX-CJNGLKHVSA-N 0 3 258.365 2.602 20 30 CFEDHN C[C@H]1CSC[C@H]1NCc1cc(C#N)ccc1F ZINC000336472134 524762668 /nfs/dbraw/zinc/76/26/68/524762668.db2.gz NNRNXCXJEUDAFK-TVQRCGJNSA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@@H]1CN(Cc2cccc(F)c2C#N)CCN(C2CC2)C1 ZINC000336256571 525006028 /nfs/dbraw/zinc/00/60/28/525006028.db2.gz FILOTCDZCCLOPF-CYBMUJFWSA-N 0 3 287.382 2.613 20 30 CFEDHN C[C@H](N[C@@H]1CCOC1(C)C)c1ccc(C#N)cc1F ZINC000334896563 525569777 /nfs/dbraw/zinc/56/97/77/525569777.db2.gz RIEIXTSJFZWDSU-IINYFYTJSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@@H](N[C@H]1CCCOCC1)c1ccc(C#N)cc1F ZINC000336252222 525676282 /nfs/dbraw/zinc/67/62/82/525676282.db2.gz ICDXUAXSYIGANR-YPMHNXCESA-N 0 3 262.328 2.917 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000335006564 526183825 /nfs/dbraw/zinc/18/38/25/526183825.db2.gz RGMZHBHJVHRIAT-UHFFFAOYSA-N 0 3 298.390 2.615 20 30 CFEDHN C=CCN(CCC[C@H](C)O)Cc1ccc(OC)cc1 ZINC000354847703 526274850 /nfs/dbraw/zinc/27/48/50/526274850.db2.gz CDKSGCYIYOYJGF-AWEZNQCLSA-N 0 3 263.381 2.844 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(F)ccc(C)c2F)CC1 ZINC000347153229 526446738 /nfs/dbraw/zinc/44/67/38/526446738.db2.gz KJLSKPXRQPJJFR-UHFFFAOYSA-N 0 3 294.345 2.653 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CCC1CC1 ZINC000355073618 526536514 /nfs/dbraw/zinc/53/65/14/526536514.db2.gz ZTTRRYXPKLWFOO-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000106038913 526598705 /nfs/dbraw/zinc/59/87/05/526598705.db2.gz PGEBZNMFHAGFPP-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN N#Cc1ccc(C2=CCN(CC3=CCCOC3)CC2)cc1 ZINC000336138561 526604594 /nfs/dbraw/zinc/60/45/94/526604594.db2.gz AMAVGACERPJWKH-UHFFFAOYSA-N 0 3 280.371 2.994 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@]3(CCOC3)C2)cc1 ZINC000336223194 526613556 /nfs/dbraw/zinc/61/35/56/526613556.db2.gz JQOBAHMXWCFBTR-INIZCTEOSA-N 0 3 256.349 2.561 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)s1 ZINC000336470965 526615485 /nfs/dbraw/zinc/61/54/85/526615485.db2.gz WLWRLFOZVFHWRR-CYBMUJFWSA-N 0 3 276.405 2.868 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246518406 526616774 /nfs/dbraw/zinc/61/67/74/526616774.db2.gz FQNPZJVIAVVDLK-HOTGVXAUSA-N 0 3 256.349 2.559 20 30 CFEDHN N#Cc1ccc(CNC2CCC3(CCOCC3)CC2)o1 ZINC000336297211 526621448 /nfs/dbraw/zinc/62/14/48/526621448.db2.gz JKOLWSSCORVEFF-UHFFFAOYSA-N 0 3 274.364 2.980 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306862 526626153 /nfs/dbraw/zinc/62/61/53/526626153.db2.gz TXLPKTZIFCHBCV-OCCSQVGLSA-N 0 3 292.810 2.820 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1c(C)cccc1C ZINC000354533450 526627179 /nfs/dbraw/zinc/62/71/79/526627179.db2.gz DHMHBFSJPWKJOU-ZIAGYGMSSA-N 0 3 260.381 2.645 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)o1 ZINC000246186309 526627198 /nfs/dbraw/zinc/62/71/98/526627198.db2.gz DHHJSRIKWDXNJN-RBSFLKMASA-N 0 3 272.348 2.589 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000354533447 526636044 /nfs/dbraw/zinc/63/60/44/526636044.db2.gz DHMHBFSJPWKJOU-KBPBESRZSA-N 0 3 260.381 2.645 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000335773746 526638134 /nfs/dbraw/zinc/63/81/34/526638134.db2.gz FFPQQMQMWOLPPU-ZIAGYGMSSA-N 0 3 274.339 2.556 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)c(O)c1 ZINC000353267860 526656502 /nfs/dbraw/zinc/65/65/02/526656502.db2.gz QCJYYRBANYZXFE-GFCCVEGCSA-N 0 3 265.353 2.644 20 30 CFEDHN C=C(C)COc1cc(CNC[C@@H](O)CCC)ccc1OC ZINC000112377474 526660971 /nfs/dbraw/zinc/66/09/71/526660971.db2.gz NIZVTGNRYRIHMG-HNNXBMFYSA-N 0 3 293.407 2.901 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000355450566 526698800 /nfs/dbraw/zinc/69/88/00/526698800.db2.gz XRHFZQGWGLYSII-CYBMUJFWSA-N 0 3 284.469 2.532 20 30 CFEDHN N#Cc1cccc(CNC[C@H](O)C2CCCCC2)c1 ZINC000069170631 526707366 /nfs/dbraw/zinc/70/73/66/526707366.db2.gz FJIPAWSXPMECCM-INIZCTEOSA-N 0 3 258.365 2.589 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC(C(F)F)CC1 ZINC000307883835 526745230 /nfs/dbraw/zinc/74/52/30/526745230.db2.gz OQCHAQZIULGUKA-UHFFFAOYSA-N 0 3 280.318 2.914 20 30 CFEDHN C=CCOCCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000347961089 526748342 /nfs/dbraw/zinc/74/83/42/526748342.db2.gz GJXLSJPMSIIMIG-UHFFFAOYSA-N 0 3 285.391 2.897 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCc3ccccc3C2)n1 ZINC000335179931 526783012 /nfs/dbraw/zinc/78/30/12/526783012.db2.gz BXIVNEFCVSVVSP-CYBMUJFWSA-N 0 3 269.373 2.662 20 30 CFEDHN Cc1nc(CCNCc2cccc(C#N)c2)cs1 ZINC000221813230 526826254 /nfs/dbraw/zinc/82/62/54/526826254.db2.gz MBMBTVRSMMMSSN-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=C(CNCc1ccc2c(c1)oc(=O)n2C)c1ccccc1 ZINC000352261507 526882125 /nfs/dbraw/zinc/88/21/25/526882125.db2.gz UJWHVMMGZIGHJQ-UHFFFAOYSA-N 0 3 294.354 2.935 20 30 CFEDHN C=CCOc1ccc(CNC[C@@](C)(O)CC)cc1OC ZINC000111384324 526886026 /nfs/dbraw/zinc/88/60/26/526886026.db2.gz KJQWUWZQTGDKFD-INIZCTEOSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](c3nc(C)no3)C2)c1 ZINC000344834741 526900168 /nfs/dbraw/zinc/90/01/68/526900168.db2.gz SGWBZQYERVIPME-OAHLLOKOSA-N 0 3 299.374 2.932 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(O)(CC)CC1 ZINC000353744632 526932063 /nfs/dbraw/zinc/93/20/63/526932063.db2.gz GPCBFNAPFBTDDP-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000352540729 527011143 /nfs/dbraw/zinc/01/11/43/527011143.db2.gz OPKSZTNKKLNSFB-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347484234 527028641 /nfs/dbraw/zinc/02/86/41/527028641.db2.gz NOLPKCMCKNSGOF-UHFFFAOYSA-N 0 3 278.440 2.993 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000344324992 527080269 /nfs/dbraw/zinc/08/02/69/527080269.db2.gz LOYVBBZSUTYKIN-SNVBAGLBSA-N 0 3 284.743 2.522 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000353355950 527082193 /nfs/dbraw/zinc/08/21/93/527082193.db2.gz UDTISBHVOCUJSR-DOMZBBRYSA-N 0 3 283.799 2.802 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000347627805 527154837 /nfs/dbraw/zinc/15/48/37/527154837.db2.gz VFTWMFRSLACFFQ-ILXRZTDVSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000347748871 527157430 /nfs/dbraw/zinc/15/74/30/527157430.db2.gz HSZHHXXXJBNPKM-KFWWJZLASA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352796149 527186452 /nfs/dbraw/zinc/18/64/52/527186452.db2.gz JZCXOGYDORWGLG-LBPRGKRZSA-N 0 3 298.308 2.851 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1N(C)C ZINC000344126806 527453572 /nfs/dbraw/zinc/45/35/72/527453572.db2.gz XYNJPXXGYUUBEB-OAHLLOKOSA-N 0 3 262.397 2.512 20 30 CFEDHN C=CCC[C@H](NC[C@@]1(OC)CCOC1)c1ccco1 ZINC000353682216 527485530 /nfs/dbraw/zinc/48/55/30/527485530.db2.gz CFYSVLOCAXZVOR-ZFWWWQNUSA-N 0 3 265.353 2.682 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCC[C@H]1C(=O)NC)c1ccco1 ZINC000353617615 527486498 /nfs/dbraw/zinc/48/64/98/527486498.db2.gz DSIPMFJNGVJNOA-MCIONIFRSA-N 0 3 276.380 2.791 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347284392 527522902 /nfs/dbraw/zinc/52/29/02/527522902.db2.gz BRQZHQLEEUFJSR-ZBFHGGJFSA-N 0 3 264.413 2.722 20 30 CFEDHN CCC1CCC(N(C)CC(=O)N(CC)CCC#N)CC1 ZINC000353453136 527841782 /nfs/dbraw/zinc/84/17/82/527841782.db2.gz DDXFAVUWJURKDY-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN CC1=C[C@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000334863547 528139206 /nfs/dbraw/zinc/13/92/06/528139206.db2.gz LSFBSBHAYSHRPO-GUYCJALGSA-N 0 3 293.370 2.665 20 30 CFEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000344543762 528564418 /nfs/dbraw/zinc/56/44/18/528564418.db2.gz GZYDOHRAXNVFJY-TVQRCGJNSA-N 0 3 266.291 2.938 20 30 CFEDHN CCOC(=O)CCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425531177 528697463 /nfs/dbraw/zinc/69/74/63/528697463.db2.gz GVMCXTHDTYHFPF-ZDUSSCGKSA-N 0 3 274.364 2.894 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085801571 782167293 /nfs/dbraw/zinc/16/72/93/782167293.db2.gz WVAMUBVDDROIAO-YMAMQOFZSA-N 0 3 282.403 2.624 20 30 CFEDHN CC1(C#N)CCN(CCCC2CCOCC2)CC1 ZINC000347443136 528841579 /nfs/dbraw/zinc/84/15/79/528841579.db2.gz SLTSITFOQGEONR-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000344543763 529102857 /nfs/dbraw/zinc/10/28/57/529102857.db2.gz GZYDOHRAXNVFJY-ZANVPECISA-N 0 3 266.291 2.938 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@H](O)C(C)C ZINC000414519453 529182414 /nfs/dbraw/zinc/18/24/14/529182414.db2.gz CIQZFKPNGYQLFR-CHWSQXEVSA-N 0 3 252.383 2.505 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000355796849 529202673 /nfs/dbraw/zinc/20/26/73/529202673.db2.gz LDVIJYLTJOJAIF-OGHNNQOOSA-N 0 3 291.439 2.694 20 30 CFEDHN CC[C@@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000347627221 529331297 /nfs/dbraw/zinc/33/12/97/529331297.db2.gz TXTDXJISRDSBNV-LSDHHAIUSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450376760 535260323 /nfs/dbraw/zinc/26/03/23/535260323.db2.gz HNOKMOQXOQAIMM-BXUZGUMPSA-N 0 3 288.351 2.607 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451485461 536645082 /nfs/dbraw/zinc/64/50/82/536645082.db2.gz AVGKJFXOVVLYCL-USXIJHARSA-N 0 3 298.386 2.614 20 30 CFEDHN COc1cc(CN2CCC[C@@]3(CCOC3)C2)ccc1C#N ZINC000449686756 536754180 /nfs/dbraw/zinc/75/41/80/536754180.db2.gz ZTBFRYIUIAFMGG-QGZVFWFLSA-N 0 3 286.375 2.569 20 30 CFEDHN C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC000935104262 649875869 /nfs/dbraw/zinc/87/58/69/649875869.db2.gz ZKSFRWTWRSSBKL-SJORKVTESA-N 0 3 284.403 2.740 20 30 CFEDHN C#CC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC000935104260 649876170 /nfs/dbraw/zinc/87/61/70/649876170.db2.gz ZKSFRWTWRSSBKL-IAGOWNOFSA-N 0 3 284.403 2.740 20 30 CFEDHN CC(=CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(C)C ZINC000744038925 574049882 /nfs/dbraw/zinc/04/98/82/574049882.db2.gz DHQGHKJEAYGFNY-MMRAYRKESA-N 0 3 285.347 2.721 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(C)c1 ZINC000753930098 574055335 /nfs/dbraw/zinc/05/53/35/574055335.db2.gz UXSIAFOCZYJKNH-HUUCEWRRSA-N 0 3 270.380 2.579 20 30 CFEDHN CCc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@@H]3N2)s1 ZINC000753933975 574055886 /nfs/dbraw/zinc/05/58/86/574055886.db2.gz DUDWBCSAGRPWSN-BETUJISGSA-N 0 3 290.436 2.895 20 30 CFEDHN CC1(C)CC(=NNC2=N[C@@H]3CCCC[C@H]3N2)c2ccccc21 ZINC000753934211 574055914 /nfs/dbraw/zinc/05/59/14/574055914.db2.gz HKNXQUVIWGUTTN-HUUCEWRRSA-N 0 3 296.418 2.932 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1sccc1C ZINC000753934895 574055917 /nfs/dbraw/zinc/05/59/17/574055917.db2.gz KYDDULMYFUDKCH-VXGBXAGGSA-N 0 3 276.409 2.641 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1C ZINC000753935169 574056235 /nfs/dbraw/zinc/05/62/35/574056235.db2.gz LQKURKUYVQCBDM-HUUCEWRRSA-N 0 3 270.380 2.579 20 30 CFEDHN c1ccc2c(c1)CCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753941639 574057083 /nfs/dbraw/zinc/05/70/83/574057083.db2.gz ZTSXNHVIVPQVDB-IYBDPMFKSA-N 0 3 282.391 2.587 20 30 CFEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C)cc1 ZINC000753941047 574057213 /nfs/dbraw/zinc/05/72/13/574057213.db2.gz WHOMJGLTNRIEIO-GJZGRUSLSA-N 0 3 270.380 2.579 20 30 CFEDHN CC(=NNC(=N)N)c1ccc(OCc2cccc(C)c2)cc1 ZINC000727650572 574058891 /nfs/dbraw/zinc/05/88/91/574058891.db2.gz MWQKXNOKGGNPTG-UHFFFAOYSA-N 0 3 296.374 2.781 20 30 CFEDHN CN1CCCc2cc(C=NNC3CCCC3)ccc21 ZINC000727651567 574058948 /nfs/dbraw/zinc/05/89/48/574058948.db2.gz FXPYZOVKFNHIQQ-UHFFFAOYSA-N 0 3 257.381 2.935 20 30 CFEDHN C#CCN(Cc1ccnc(N(C)C)c1)C1CCCCC1 ZINC000754013257 574063573 /nfs/dbraw/zinc/06/35/73/574063573.db2.gz MMAAMEKZEJXQJX-UHFFFAOYSA-N 0 3 271.408 2.916 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000736680540 574064920 /nfs/dbraw/zinc/06/49/20/574064920.db2.gz OAMAHZPJYXNZOY-BDAKNGLRSA-N 0 3 259.334 2.633 20 30 CFEDHN C[C@@H](NCc1ccnc(N(C)C)c1)c1cccc(C#N)c1 ZINC000754139848 574076845 /nfs/dbraw/zinc/07/68/45/574076845.db2.gz JYLGBLYPCHNHDP-CYBMUJFWSA-N 0 3 280.375 2.870 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC(=C)Cl)C(C)C ZINC000737037823 574099222 /nfs/dbraw/zinc/09/92/22/574099222.db2.gz SECZRGHYOHIVKE-CQSZACIVSA-N 0 3 299.846 2.737 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000728766611 574107084 /nfs/dbraw/zinc/10/70/84/574107084.db2.gz DEUPRNFDONZUIY-HOTGVXAUSA-N 0 3 298.386 2.827 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](c1ccccc1)C(C)C ZINC000728766613 574107196 /nfs/dbraw/zinc/10/71/96/574107196.db2.gz DEUPRNFDONZUIY-JKSUJKDBSA-N 0 3 298.386 2.827 20 30 CFEDHN C[C@H](NCC(=O)NCCC#N)c1csc2ccccc21 ZINC000754734836 574117394 /nfs/dbraw/zinc/11/73/94/574117394.db2.gz GUNCNGHUTNPKLV-NSHDSACASA-N 0 3 287.388 2.582 20 30 CFEDHN C#CCCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000745738603 574124766 /nfs/dbraw/zinc/12/47/66/574124766.db2.gz VUMRPYHTHRTGLA-NVXWUHKLSA-N 0 3 299.418 2.535 20 30 CFEDHN CCCCCCCCNC(=O)NC1CCN(C)CC1 ZINC000754864990 574125586 /nfs/dbraw/zinc/12/55/86/574125586.db2.gz IQDKARQNEKIPQX-UHFFFAOYSA-N 0 3 269.433 2.740 20 30 CFEDHN C#CCCCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000754872121 574126196 /nfs/dbraw/zinc/12/61/96/574126196.db2.gz NPBAXDNQJGNSJI-UHFFFAOYSA-N 0 3 251.370 2.596 20 30 CFEDHN Fc1ccc(CCN2CCC(=NNCC(F)F)CC2)cc1 ZINC000740618472 574129067 /nfs/dbraw/zinc/12/90/67/574129067.db2.gz RJKHYXOIOMPYOA-UHFFFAOYSA-N 0 3 299.340 2.675 20 30 CFEDHN C=C(C)CNC(=S)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000731942906 574134807 /nfs/dbraw/zinc/13/48/07/574134807.db2.gz VETWSSAXWKTKAE-CQSZACIVSA-N 0 3 291.464 2.547 20 30 CFEDHN CCCCCCCCNC(=O)N1CCCN(C)CC1 ZINC000755079434 574136665 /nfs/dbraw/zinc/13/66/65/574136665.db2.gz TVLZDGHCBQXRRP-UHFFFAOYSA-N 0 3 269.433 2.694 20 30 CFEDHN CCCN(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746172762 574138874 /nfs/dbraw/zinc/13/88/74/574138874.db2.gz GSALKVMBVHZPNY-ZDUSSCGKSA-N 0 3 294.358 2.565 20 30 CFEDHN C#CCN1CCC(C(=O)NCCCCCCCC)CC1 ZINC000755147255 574142675 /nfs/dbraw/zinc/14/26/75/574142675.db2.gz MSNRJFJAMZWAMF-UHFFFAOYSA-N 0 3 278.440 2.808 20 30 CFEDHN CCCCCCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000732158745 574144368 /nfs/dbraw/zinc/14/43/68/574144368.db2.gz CWINKOOSAHVJNG-HNNXBMFYSA-N 0 3 266.429 2.900 20 30 CFEDHN COc1cccc(N=NC2CN(C3CC3)C[C@@H]2C)c1 ZINC000755891626 574194963 /nfs/dbraw/zinc/19/49/63/574194963.db2.gz DOCUHYGHKCVQCH-NSHDSACASA-N 0 3 259.353 2.577 20 30 CFEDHN Fc1ccc(/C=C/C=NNCCN2CCCCC2)cc1 ZINC000747752793 574210335 /nfs/dbraw/zinc/21/03/35/574210335.db2.gz DWEKQXSZOOAJHR-LJGOCUTKSA-N 0 3 275.371 2.900 20 30 CFEDHN CCC1(C(=O)C(C#N)c2nc(C(C)C)cs2)COC1 ZINC000756300145 574222785 /nfs/dbraw/zinc/22/27/85/574222785.db2.gz MIFRZLQTGJEMMM-JTQLQIEISA-N 0 3 278.377 2.869 20 30 CFEDHN CC(N=Nc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000748131736 574231406 /nfs/dbraw/zinc/23/14/06/574231406.db2.gz NCSVVUKVJTXBQN-UHFFFAOYSA-N 0 3 298.390 2.858 20 30 CFEDHN FC(F)CNN=C1CCN(CCc2ccccc2)CC1 ZINC000740616876 574258613 /nfs/dbraw/zinc/25/86/13/574258613.db2.gz VTLOYBKKUICIDX-UHFFFAOYSA-N 0 3 281.350 2.536 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756786908 574262933 /nfs/dbraw/zinc/26/29/33/574262933.db2.gz MHXITCPVBOVVDC-UONOGXRCSA-N 0 3 263.381 2.844 20 30 CFEDHN C#CCCN1CCC(NC(=O)C(C)(C)c2ccccc2)CC1 ZINC000740736948 574264801 /nfs/dbraw/zinc/26/48/01/574264801.db2.gz SZYYWMOZQHUSDF-UHFFFAOYSA-N 0 3 298.430 2.568 20 30 CFEDHN c1cnc(N=NC2CCCC[C@@H]2N2CCCCC2)nc1 ZINC000748780744 574265975 /nfs/dbraw/zinc/26/59/75/574265975.db2.gz NDXSZALHTHUKSV-AWEZNQCLSA-N 0 3 273.384 2.673 20 30 CFEDHN CCCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000740874037 574271591 /nfs/dbraw/zinc/27/15/91/574271591.db2.gz UZWCCQXUAXHBKB-MRXNPFEDSA-N 0 3 268.445 2.753 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H](CO)C2CC2)ccc1OC ZINC000734163700 574277916 /nfs/dbraw/zinc/27/79/16/574277916.db2.gz GOPSMEXECHFMKT-HNNXBMFYSA-N 0 3 291.391 2.511 20 30 CFEDHN COCc1ccc(CNCC#Cc2ccccc2)cc1 ZINC000742371776 574278711 /nfs/dbraw/zinc/27/87/11/574278711.db2.gz CPXQJNIISGDORB-UHFFFAOYSA-N 0 3 265.356 2.974 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](O)c1ccc(C)o1 ZINC000741261607 574285300 /nfs/dbraw/zinc/28/53/00/574285300.db2.gz PLGVJUKCOBJIEB-HNNXBMFYSA-N 0 3 287.359 2.976 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(Br)cn2)CCN1C ZINC000741463482 574291474 /nfs/dbraw/zinc/29/14/74/574291474.db2.gz GGSITYBULNRCFH-VIFPVBQESA-N 0 3 297.200 2.726 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@H](C)C(C)(C)C)CC1 ZINC000734668743 574297281 /nfs/dbraw/zinc/29/72/81/574297281.db2.gz GTXYEVVRAGIZHV-ZDUSSCGKSA-N 0 3 281.444 2.618 20 30 CFEDHN C=CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(C)C ZINC000741777772 574302584 /nfs/dbraw/zinc/30/25/84/574302584.db2.gz RTOILDYCBHKYOZ-OAHLLOKOSA-N 0 3 274.364 2.908 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000735207232 574316506 /nfs/dbraw/zinc/31/65/06/574316506.db2.gz FVJAAMHZDFNSRF-VYLZPFMQSA-N 0 3 286.331 2.699 20 30 CFEDHN C#CCCN1CCC(NC(=O)CC2CCCCCC2)CC1 ZINC000750028224 574321351 /nfs/dbraw/zinc/32/13/51/574321351.db2.gz ZBQAJWCPAGDINR-UHFFFAOYSA-N 0 3 290.451 2.951 20 30 CFEDHN C=CC[N@H+](CCCCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419588 574323777 /nfs/dbraw/zinc/32/37/77/574323777.db2.gz WUQKVSXJNPEYJJ-UHFFFAOYSA-N 0 3 296.378 2.549 20 30 CFEDHN C=CC[N@@H+](CCCCC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419588 574323779 /nfs/dbraw/zinc/32/37/79/574323779.db2.gz WUQKVSXJNPEYJJ-UHFFFAOYSA-N 0 3 296.378 2.549 20 30 CFEDHN C=CC[N@H+](CCCCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419588 574323782 /nfs/dbraw/zinc/32/37/82/574323782.db2.gz WUQKVSXJNPEYJJ-UHFFFAOYSA-N 0 3 296.378 2.549 20 30 CFEDHN C=CC[N@@H+](CCCCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419588 574323785 /nfs/dbraw/zinc/32/37/85/574323785.db2.gz WUQKVSXJNPEYJJ-UHFFFAOYSA-N 0 3 296.378 2.549 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000744448475 574335856 /nfs/dbraw/zinc/33/58/56/574335856.db2.gz JUFSHJBOCWNUQT-SJLPKXTDSA-N 0 3 287.403 2.992 20 30 CFEDHN C#CCOc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000742650310 574338048 /nfs/dbraw/zinc/33/80/48/574338048.db2.gz NJOLSJHWLOJZQP-SECBINFHSA-N 0 3 271.238 2.836 20 30 CFEDHN C[C@@H]1CC(N=Nc2cccnn2)CCN1Cc1ccccc1 ZINC000735977218 574346217 /nfs/dbraw/zinc/34/62/17/574346217.db2.gz VVXLKYHIMJXHHD-CQSZACIVSA-N 0 3 295.390 2.929 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000743493490 574366856 /nfs/dbraw/zinc/36/68/56/574366856.db2.gz WIQUFXJTUMTGDR-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN N#CC(C(=O)C1=COCC1)c1ccc2ccccc2n1 ZINC000744015972 574375889 /nfs/dbraw/zinc/37/58/89/574375889.db2.gz FXODJKWGLKEJDU-CYBMUJFWSA-N 0 3 264.284 2.715 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCC3CC3)nc21 ZINC000751844448 574383685 /nfs/dbraw/zinc/38/36/85/574383685.db2.gz QJFDDAHFTWTOAU-ZDUSSCGKSA-N 0 3 297.358 2.864 20 30 CFEDHN C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](OC)C2)c1[O-] ZINC000751946092 574385621 /nfs/dbraw/zinc/38/56/21/574385621.db2.gz FALXSJHAOGUIHF-HNNXBMFYSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](OC)C2)c1[O-] ZINC000751946092 574385622 /nfs/dbraw/zinc/38/56/22/574385622.db2.gz FALXSJHAOGUIHF-HNNXBMFYSA-N 0 3 291.391 2.740 20 30 CFEDHN CCCCCCCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000752259313 574389422 /nfs/dbraw/zinc/38/94/22/574389422.db2.gz DLOYNLXGMJLTMB-UHFFFAOYSA-N 0 3 265.401 2.777 20 30 CFEDHN C[C@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000752300276 574390310 /nfs/dbraw/zinc/39/03/10/574390310.db2.gz BJDKJGLHYSWIQP-RYUDHWBXSA-N 0 3 299.399 2.957 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(CC(C)C)CC(C)C ZINC000852097691 618761537 /nfs/dbraw/zinc/76/15/37/618761537.db2.gz UWIFFWXRFCRGOF-INIZCTEOSA-N 0 3 266.429 2.519 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](C)CC ZINC000819745511 606704811 /nfs/dbraw/zinc/70/48/11/606704811.db2.gz GYLYAGNQZBMRQU-CYBMUJFWSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H](C)CC ZINC000819745511 606704813 /nfs/dbraw/zinc/70/48/13/606704813.db2.gz GYLYAGNQZBMRQU-CYBMUJFWSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C)CC ZINC000819745511 606704815 /nfs/dbraw/zinc/70/48/15/606704815.db2.gz GYLYAGNQZBMRQU-CYBMUJFWSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C)CC ZINC000819745511 606704817 /nfs/dbraw/zinc/70/48/17/606704817.db2.gz GYLYAGNQZBMRQU-CYBMUJFWSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894606 608482897 /nfs/dbraw/zinc/48/28/97/608482897.db2.gz URMQMAHLZAJKQM-RYUDHWBXSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894606 608482898 /nfs/dbraw/zinc/48/28/98/608482898.db2.gz URMQMAHLZAJKQM-RYUDHWBXSA-N 0 3 271.368 2.872 20 30 CFEDHN C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824585267 608483399 /nfs/dbraw/zinc/48/33/99/608483399.db2.gz OYKUTJVDHLUOMO-LBPRGKRZSA-N 0 3 298.394 2.847 20 30 CFEDHN C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824585267 608483401 /nfs/dbraw/zinc/48/34/01/608483401.db2.gz OYKUTJVDHLUOMO-LBPRGKRZSA-N 0 3 298.394 2.847 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC000970958522 612993674 /nfs/dbraw/zinc/99/36/74/612993674.db2.gz SNKLSTYZBRPJII-VQCLRJIVSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970123992 612993975 /nfs/dbraw/zinc/99/39/75/612993975.db2.gz JWOSVJCYOKMKIC-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970771116 612994156 /nfs/dbraw/zinc/99/41/56/612994156.db2.gz JAAFHIHVNZAQIY-BZUAXINKSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC000970946338 612994463 /nfs/dbraw/zinc/99/44/63/612994463.db2.gz BXZXKTCGBUYZJH-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969724624 612995144 /nfs/dbraw/zinc/99/51/44/612995144.db2.gz GJKMITDBVZKPED-CYBMUJFWSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC000969800552 612995401 /nfs/dbraw/zinc/99/54/01/612995401.db2.gz FYELAAGHQIFLJF-OAHLLOKOSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC000970690772 612997739 /nfs/dbraw/zinc/99/77/39/612997739.db2.gz VPDZDTYRLUZTND-HNNXBMFYSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC000968998066 613001565 /nfs/dbraw/zinc/00/15/65/613001565.db2.gz KOAPFZXKBVTMOP-HNNXBMFYSA-N 0 3 288.391 2.586 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000981502966 613005086 /nfs/dbraw/zinc/00/50/86/613005086.db2.gz DORQVQHLLXASOW-IRXDYDNUSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983390554 613005145 /nfs/dbraw/zinc/00/51/45/613005145.db2.gz QKETVFWWKDEONI-AEFFLSMTSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887271 613013480 /nfs/dbraw/zinc/01/34/80/613013480.db2.gz USFLVGNQMGTMRV-PBHICJAKSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887272 613014539 /nfs/dbraw/zinc/01/45/39/613014539.db2.gz USFLVGNQMGTMRV-RHSMWYFYSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968606758 613015713 /nfs/dbraw/zinc/01/57/13/613015713.db2.gz JGBKMCBQFJKTCJ-CRAIPNDOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965946758 613022452 /nfs/dbraw/zinc/02/24/52/613022452.db2.gz RFCADNXDUAUFMQ-RDJZCZTQSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967990874 613023932 /nfs/dbraw/zinc/02/39/32/613023932.db2.gz CSIKDEVGKOVBGY-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968339046 613024661 /nfs/dbraw/zinc/02/46/61/613024661.db2.gz AFCMQBIFSBSUKN-WMLDXEAASA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977450707 613031815 /nfs/dbraw/zinc/03/18/15/613031815.db2.gz OEODSFWZVZSYET-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977545389 613038299 /nfs/dbraw/zinc/03/82/99/613038299.db2.gz OKNONUPVUWPKQL-KRWDZBQOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC000948541326 613177796 /nfs/dbraw/zinc/17/77/96/613177796.db2.gz DQOSUQQYPQIRSZ-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C[C@@H]1C ZINC000947400584 613222300 /nfs/dbraw/zinc/22/23/00/613222300.db2.gz ZAJNCPVSNOXZCZ-GOEBONIOSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@H](C)C1 ZINC000942136123 613222319 /nfs/dbraw/zinc/22/23/19/613222319.db2.gz IHVYEDUNRJXAHM-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCCCC2)C[C@@H]1C ZINC000947753235 613225105 /nfs/dbraw/zinc/22/51/05/613225105.db2.gz CUKQDMMOEUIHQQ-DOTOQJQBSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCC2)C[C@H]1C ZINC000947130743 613225183 /nfs/dbraw/zinc/22/51/83/613225183.db2.gz LRVULVGBYHIVKV-GDBMZVCRSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C[C@H]1C ZINC000947974841 613232161 /nfs/dbraw/zinc/23/21/61/613232161.db2.gz HKDZOZMBQXMAJM-NVXWUHKLSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3occc3c2)[C@H](C)C1 ZINC000942072432 613236641 /nfs/dbraw/zinc/23/66/41/613236641.db2.gz JVAISQYGGCFYHM-CZUORRHYSA-N 0 3 296.370 2.506 20 30 CFEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965415893 613263858 /nfs/dbraw/zinc/26/38/58/613263858.db2.gz BWTITAMFLWTDIJ-OLZOCXBDSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970163101 613298335 /nfs/dbraw/zinc/29/83/35/613298335.db2.gz LKJLRUVDBQNGHR-CQSZACIVSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970066354 613300509 /nfs/dbraw/zinc/30/05/09/613300509.db2.gz IITKDGFZVVFJLS-CYBMUJFWSA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000970657461 613302560 /nfs/dbraw/zinc/30/25/60/613302560.db2.gz NFDWGIMEZQIFCH-LBPRGKRZSA-N 0 3 287.407 2.518 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(F)ccc2C)C1 ZINC000970235900 613302962 /nfs/dbraw/zinc/30/29/62/613302962.db2.gz XRDNXEDWQLAPGQ-ZDUSSCGKSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000981493877 613308297 /nfs/dbraw/zinc/30/82/97/613308297.db2.gz AVISYWYJOIQSDS-HRCADAONSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965990043 613324168 /nfs/dbraw/zinc/32/41/68/613324168.db2.gz MCPBFWCOXLKCIQ-CJNGLKHVSA-N 0 3 289.423 2.593 20 30 CFEDHN 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C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000989835263 620393706 /nfs/dbraw/zinc/39/37/06/620393706.db2.gz PTHMBQXGQRFRLD-UKRRQHHQSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC000989866902 620395950 /nfs/dbraw/zinc/39/59/50/620395950.db2.gz LDPIZQMPUMMNOI-KSSFIOAISA-N 0 3 298.430 2.637 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989913607 620401871 /nfs/dbraw/zinc/40/18/71/620401871.db2.gz UBKAFTIHVCVSJF-ZBFHGGJFSA-N 0 3 274.364 2.583 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989922391 620402423 /nfs/dbraw/zinc/40/24/23/620402423.db2.gz PEKJOUMFJZWHGO-WMZOPIPTSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3coc(C)c3)CCC[C@@H]12 ZINC000990418785 620419961 /nfs/dbraw/zinc/41/99/61/620419961.db2.gz MVMOIGKUYFQLIP-GDBMZVCRSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CC(C)(C)NCc1cnn2cc(Br)cnc12 ZINC000898460435 620466912 /nfs/dbraw/zinc/46/69/12/620466912.db2.gz LLRBZMAVUXXIBO-UHFFFAOYSA-N 0 3 295.184 2.546 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cn(C)cn2)c([O-])c1 ZINC000899233037 620534649 /nfs/dbraw/zinc/53/46/49/620534649.db2.gz ZTLMZFVSBNNBTO-MFOYZWKCSA-N 0 3 286.379 2.591 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@H]2CCC=CCCC2)C(N)=O)cc1 ZINC000901673794 620881872 /nfs/dbraw/zinc/88/18/72/620881872.db2.gz ZVARTESPCDWXHP-RDJZCZTQSA-N 0 3 297.402 2.811 20 30 CFEDHN CC[C@H](NC[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000902763109 621162660 /nfs/dbraw/zinc/16/26/60/621162660.db2.gz TUNINZWXRAIXAQ-RYUDHWBXSA-N 0 3 272.270 2.522 20 30 CFEDHN C[C@@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759468 621166604 /nfs/dbraw/zinc/16/66/04/621166604.db2.gz YCRFJHRZNZAGJS-CZUORRHYSA-N 0 3 297.406 2.915 20 30 CFEDHN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902802010 621173644 /nfs/dbraw/zinc/17/36/44/621173644.db2.gz HQTQWKJQHANLLF-GUYCJALGSA-N 0 3 281.359 2.646 20 30 CFEDHN Cc1ccccc1[C@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902802012 621173676 /nfs/dbraw/zinc/17/36/76/621173676.db2.gz 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/nfs/dbraw/zinc/20/00/49/621200049.db2.gz RCAVHLBENSOKTF-CORIIIEPSA-N 0 3 259.353 2.561 20 30 CFEDHN CC(C)CSCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902889021 621200631 /nfs/dbraw/zinc/20/06/31/621200631.db2.gz ZVCGFGIAOWJQLH-GFCCVEGCSA-N 0 3 263.410 2.993 20 30 CFEDHN C[C@@H](NCCSCC(F)(F)F)c1cc(C#N)ccn1 ZINC000902891944 621200778 /nfs/dbraw/zinc/20/07/78/621200778.db2.gz FEYJBODVDIWVHZ-SECBINFHSA-N 0 3 289.326 2.899 20 30 CFEDHN Cc1cccc(C[C@H](CO)N[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902966246 621210810 /nfs/dbraw/zinc/21/08/10/621210810.db2.gz BZSMXLQOCKJBRF-RHSMWYFYSA-N 0 3 295.386 2.516 20 30 CFEDHN Cc1ccccc1C[C@@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902967437 621211138 /nfs/dbraw/zinc/21/11/38/621211138.db2.gz VDOQBHFGKKGCSU-PBHICJAKSA-N 0 3 295.386 2.516 20 30 CFEDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)c1cc(C#N)ccn1 ZINC000902981760 621217197 /nfs/dbraw/zinc/21/71/97/621217197.db2.gz DCQLMXQXVUGJSQ-CZUORRHYSA-N 0 3 293.370 2.998 20 30 CFEDHN COC1([C@H](C)N[C@H](C)c2cc(C#N)ccn2)CCC1 ZINC000903024098 621233762 /nfs/dbraw/zinc/23/37/62/621233762.db2.gz KUYKULCDTNOQLH-NEPJUHHUSA-N 0 3 259.353 2.561 20 30 CFEDHN CCC[C@@H](CN[C@H](C)c1cc(C#N)ccn1)OCC ZINC000903064736 621238731 /nfs/dbraw/zinc/23/87/31/621238731.db2.gz RLRDBEBJRGNGNN-OCCSQVGLSA-N 0 3 261.369 2.809 20 30 CFEDHN C[C@@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000903045113 621240116 /nfs/dbraw/zinc/24/01/16/621240116.db2.gz QMUFQNOKAXPUES-MRVWCRGKSA-N 0 3 273.380 2.950 20 30 CFEDHN C[C@H](N[C@@H]1COc2cc(F)ccc2C1)c1cc(C#N)ccn1 ZINC000903051846 621242783 /nfs/dbraw/zinc/24/27/83/621242783.db2.gz YNPINZZOCPYQQV-NHYWBVRUSA-N 0 3 297.333 2.747 20 30 CFEDHN CC[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000903077212 621244397 /nfs/dbraw/zinc/24/43/97/621244397.db2.gz FUBHZIXYQUVSIX-TVYUQYBPSA-N 0 3 286.297 2.911 20 30 CFEDHN C[C@H](NC[C@H]1CCC2(CCC2)O1)c1cc(C#N)ccn1 ZINC000903089915 621248839 /nfs/dbraw/zinc/24/88/39/621248839.db2.gz WYKGDPUTZHHHGG-GXTWGEPZSA-N 0 3 271.364 2.706 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903132071 621259934 /nfs/dbraw/zinc/25/99/34/621259934.db2.gz WYJPZLLYRPLFCR-LBPRGKRZSA-N 0 3 294.351 2.847 20 30 CFEDHN CC1(C)[C@H](NCc2nc(C#N)cs2)[C@@H]2CCC[C@@H]21 ZINC000903265170 621298640 /nfs/dbraw/zinc/29/86/40/621298640.db2.gz YIIKDHPIZSLLDP-NTZNESFSSA-N 0 3 261.394 2.929 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)c1cc(C#N)ccn1 ZINC000903250576 621298988 /nfs/dbraw/zinc/29/89/88/621298988.db2.gz AXMBIZKMOFKSBQ-PEYYIBSZSA-N 0 3 271.364 2.561 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903293099 621312063 /nfs/dbraw/zinc/31/20/63/621312063.db2.gz ARWJJFQVZMFKJC-OCCSQVGLSA-N 0 3 284.359 2.729 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903309596 621326659 /nfs/dbraw/zinc/32/66/59/621326659.db2.gz VWGJOELIEGMDFG-SJKOYZFVSA-N 0 3 299.349 2.651 20 30 CFEDHN CC[C@@H](N[C@H]1CCCN(CC)C1=O)c1cccc(C#N)c1 ZINC000903389161 621359786 /nfs/dbraw/zinc/35/97/86/621359786.db2.gz TVOITBYGOZKIGD-CVEARBPZSA-N 0 3 285.391 2.610 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(-c3coc(C#N)c3)n2)cc1 ZINC000904626526 621617574 /nfs/dbraw/zinc/61/75/74/621617574.db2.gz YJRHWTOKUFUGOO-UHFFFAOYSA-N 0 3 294.314 2.930 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905081501 621691691 /nfs/dbraw/zinc/69/16/91/621691691.db2.gz RGZQVNGNUKCDBB-QVIVLVACSA-N 0 3 299.330 2.526 20 30 CFEDHN CC1/C(=C\c2ccc(C3(C#N)CC3)cc2)C(=O)c2ncnn21 ZINC000905083443 621691984 /nfs/dbraw/zinc/69/19/84/621691984.db2.gz DHLQJOUQWUVHSL-KYJZABPNSA-N 0 3 290.326 2.674 20 30 CFEDHN CCc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905087160 621692751 /nfs/dbraw/zinc/69/27/51/621692751.db2.gz WMTKNPCNPFXMBT-XNFYSYIQSA-N 0 3 253.305 2.681 20 30 CFEDHN CCOc1cccc(F)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905087378 621692826 /nfs/dbraw/zinc/69/28/26/621692826.db2.gz XSASDLCHGGDHDP-SBMLRHLQSA-N 0 3 287.294 2.657 20 30 CFEDHN CC1/C(=C\c2cn(C)nc2C2CCCC2)C(=O)c2ncnn21 ZINC000905086978 621692835 /nfs/dbraw/zinc/69/28/35/621692835.db2.gz UYCFZWQFKHGXRZ-JLATVTFTSA-N 0 3 297.362 2.510 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cc(C#N)ccc1F ZINC000905519117 621788671 /nfs/dbraw/zinc/78/86/71/621788671.db2.gz RJVKHGUDJKAJQN-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cc(C#N)ccc1F ZINC000905519119 621788709 /nfs/dbraw/zinc/78/87/09/621788709.db2.gz RJVKHGUDJKAJQN-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCSC2(CCC2)C1 ZINC000905602977 621795738 /nfs/dbraw/zinc/79/57/38/621795738.db2.gz WQRFEQBPMLIMFM-OLZOCXBDSA-N 0 3 263.410 2.838 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCCc2ccccc2C1 ZINC000905656344 621810421 /nfs/dbraw/zinc/81/04/21/621810421.db2.gz MQORITWDSIUJTN-WMLDXEAASA-N 0 3 267.376 2.967 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCOc2c(F)cccc21 ZINC000905644966 621817367 /nfs/dbraw/zinc/81/73/67/621817367.db2.gz SVZZHJSTSIASNS-SMDDNHRTSA-N 0 3 292.354 2.540 20 30 CFEDHN CCC[C@H](N)c1cn(Cc2c(C)cc(C#N)cc2C)nn1 ZINC000905827146 621877907 /nfs/dbraw/zinc/87/79/07/621877907.db2.gz GYVGCJWSVKSGTK-HNNXBMFYSA-N 0 3 283.379 2.615 20 30 CFEDHN N#Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)s1 ZINC000906166053 621941762 /nfs/dbraw/zinc/94/17/62/621941762.db2.gz VULCRXUDGQJARR-NSHDSACASA-N 0 3 256.334 2.501 20 30 CFEDHN N#Cc1cc(-c2cnc([C@H]3CCCN3)nc2)ccc1F ZINC000906170690 621943048 /nfs/dbraw/zinc/94/30/48/621943048.db2.gz KHEHMKCWZGVVAG-CQSZACIVSA-N 0 3 268.295 2.579 20 30 CFEDHN Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1C#N ZINC000906181226 621946449 /nfs/dbraw/zinc/94/64/49/621946449.db2.gz GNWOPRUOWMZZAU-HNNXBMFYSA-N 0 3 264.332 2.748 20 30 CFEDHN CCCN(CCN(C)C)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906580842 622014639 /nfs/dbraw/zinc/01/46/39/622014639.db2.gz SHJYWDMPRIDGNA-DQPZFDDXSA-N 0 3 291.439 2.507 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCNC2(CCCCC2)C1 ZINC000906634864 622028163 /nfs/dbraw/zinc/02/81/63/622028163.db2.gz SQUFWUCEXOWUSI-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(CC)n3)CCC[C@@H]12 ZINC000991086858 622063510 /nfs/dbraw/zinc/06/35/10/622063510.db2.gz DHOKNZRHLQSASM-SJLPKXTDSA-N 0 3 299.418 2.557 20 30 CFEDHN Cc1cc(C(=O)N(CCN(C)C)C(C)C)cc(C)c1C#N ZINC000907099146 622083029 /nfs/dbraw/zinc/08/30/29/622083029.db2.gz UXFLCZILUKEQPD-UHFFFAOYSA-N 0 3 287.407 2.587 20 30 CFEDHN N#CCC1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000907935094 622178539 /nfs/dbraw/zinc/17/85/39/622178539.db2.gz HTIPOMJSYIAVLT-UHFFFAOYSA-N 0 3 296.374 2.714 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819734296 622548894 /nfs/dbraw/zinc/54/88/94/622548894.db2.gz LDKJELZJOZHELD-CQSZACIVSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819734296 622548898 /nfs/dbraw/zinc/54/88/98/622548898.db2.gz LDKJELZJOZHELD-CQSZACIVSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1c2ccccc2C[C@H]1C ZINC000911892560 622571158 /nfs/dbraw/zinc/57/11/58/622571158.db2.gz YHFNNMSIWUUKDV-TZMCWYRMSA-N 0 3 258.365 2.648 20 30 CFEDHN C=CC[C@H](NC(=O)CN(C)CC(C)(C)C)c1ccncc1 ZINC000820018587 622598779 /nfs/dbraw/zinc/59/87/79/622598779.db2.gz SWBXPBPXCQLEOF-HNNXBMFYSA-N 0 3 289.423 2.793 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000911972203 622601422 /nfs/dbraw/zinc/60/14/22/622601422.db2.gz QVDZIDIQLJPSHM-OAHLLOKOSA-N 0 3 258.365 2.797 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccnn1CC ZINC000912051910 622620534 /nfs/dbraw/zinc/62/05/34/622620534.db2.gz REWORSJAFYMUAL-ZDUSSCGKSA-N 0 3 280.416 2.919 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)C1CCCCCC1 ZINC000912152403 622652171 /nfs/dbraw/zinc/65/21/71/622652171.db2.gz CJQJWQGUOWCHCW-AWEZNQCLSA-N 0 3 252.402 2.851 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000912200341 622660093 /nfs/dbraw/zinc/66/00/93/622660093.db2.gz ILVUZJSXNKTJNM-SJORKVTESA-N 0 3 286.419 2.904 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)cc1C ZINC000912282309 622674368 /nfs/dbraw/zinc/67/43/68/622674368.db2.gz BMSRXKKDUVYVGB-ZDUSSCGKSA-N 0 3 262.353 2.626 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000912441545 622711941 /nfs/dbraw/zinc/71/19/41/622711941.db2.gz XASVIRNZMCMFSW-LBPRGKRZSA-N 0 3 284.306 2.596 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000820889868 622782839 /nfs/dbraw/zinc/78/28/39/622782839.db2.gz VFIXMBRAVQLUOW-KRWDZBQOSA-N 0 3 284.403 2.599 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913096451 622833690 /nfs/dbraw/zinc/83/36/90/622833690.db2.gz ARSRFWRDCIWZOL-SJLPKXTDSA-N 0 3 298.430 2.817 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccnc(C)n2)c([O-])c1 ZINC000054893895 622923980 /nfs/dbraw/zinc/92/39/80/622923980.db2.gz CMIKCLOBIDRYKI-WOJGMQOQSA-N 0 3 298.390 2.956 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000224736036 623011072 /nfs/dbraw/zinc/01/10/72/623011072.db2.gz OZLPGZDNNYZFEZ-HUUCEWRRSA-N 0 3 276.355 2.991 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@@](C)(O)c1ccccc1 ZINC000822516318 623120161 /nfs/dbraw/zinc/12/01/61/623120161.db2.gz KYHKAXKJPYSYLE-MRXNPFEDSA-N 0 3 286.400 2.959 20 30 CFEDHN Cc1cc(-c2noc([C@@H](N)CCCC#N)n2)cc2nc[nH]c21 ZINC000822827109 623183053 /nfs/dbraw/zinc/18/30/53/623183053.db2.gz MJMBAXTUILYCTM-NSHDSACASA-N 0 3 296.334 2.615 20 30 CFEDHN C#CCCCN1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823509191 623337478 /nfs/dbraw/zinc/33/74/78/623337478.db2.gz IOHNGUYHOJUYQF-UONOGXRCSA-N 0 3 265.397 2.842 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccc(F)cn1 ZINC000823618195 623363293 /nfs/dbraw/zinc/36/32/93/623363293.db2.gz PKPNTEHNZNMGBY-SJKOYZFVSA-N 0 3 299.349 2.819 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCC1 ZINC000173901780 623372475 /nfs/dbraw/zinc/37/24/75/623372475.db2.gz AERHAOURBQGFPO-LBPRGKRZSA-N 0 3 267.332 2.940 20 30 CFEDHN C#CCSCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231948470 623376907 /nfs/dbraw/zinc/37/69/07/623376907.db2.gz SHFJAIOROPJYRZ-UHFFFAOYSA-N 0 3 284.768 2.704 20 30 CFEDHN N#CC(C(=O)CCC(F)(F)F)C(=O)Nc1ccccc1 ZINC000173967545 623377976 /nfs/dbraw/zinc/37/79/76/623377976.db2.gz SDYKFGLXMWNTDU-JTQLQIEISA-N 0 3 284.237 2.676 20 30 CFEDHN C#CCCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000174125564 623390043 /nfs/dbraw/zinc/39/00/43/623390043.db2.gz LQSYJZPOPDILJV-QGZVFWFLSA-N 0 3 299.418 2.536 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823888898 623414077 /nfs/dbraw/zinc/41/40/77/623414077.db2.gz ZTWUWSMBWDMZOW-VHSXEESVSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823888898 623414081 /nfs/dbraw/zinc/41/40/81/623414081.db2.gz ZTWUWSMBWDMZOW-VHSXEESVSA-N 0 3 275.331 2.621 20 30 CFEDHN CC(C)(C#N)CCCCN1CCCC2(C1)OCCO2 ZINC000232527793 623424249 /nfs/dbraw/zinc/42/42/49/623424249.db2.gz MZACAWJJQODRGG-UHFFFAOYSA-N 0 3 266.385 2.545 20 30 CFEDHN C#C[C@@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000929563200 623475861 /nfs/dbraw/zinc/47/58/61/623475861.db2.gz LVJVZIQHGKDKKM-MRXNPFEDSA-N 0 3 285.391 2.768 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992190484 623481976 /nfs/dbraw/zinc/48/19/76/623481976.db2.gz OPRGVQSFUNFQEP-KONPQCLYSA-N 0 3 288.435 2.559 20 30 CFEDHN C#C[C@H](CC)NCc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824363564 623496051 /nfs/dbraw/zinc/49/60/51/623496051.db2.gz GEESXGYHGICLGY-MRXNPFEDSA-N 0 3 296.370 2.873 20 30 CFEDHN C=CCN(Cc1ccnn1-c1ccncc1)C(C)C ZINC000824581450 623528788 /nfs/dbraw/zinc/52/87/88/623528788.db2.gz RYDAUQRPOYAFMB-UHFFFAOYSA-N 0 3 256.353 2.664 20 30 CFEDHN C=CCC1(NCc2nn(CC)nc2C)CCCCC1 ZINC000825023672 623609678 /nfs/dbraw/zinc/60/96/78/623609678.db2.gz GUCGFGBNYMRRAD-UHFFFAOYSA-N 0 3 262.401 2.975 20 30 CFEDHN C#C[C@@H](NCc1ccc(C(=O)OC)c(Cl)c1)C(C)C ZINC000825878131 623764399 /nfs/dbraw/zinc/76/43/99/623764399.db2.gz CAGBXKNOIOAOFJ-CQSZACIVSA-N 0 3 279.767 2.874 20 30 CFEDHN C#C[C@H](NCc1ccc(O[C@H]2CCOC2)cc1)C(C)(C)C ZINC000825940222 623772794 /nfs/dbraw/zinc/77/27/94/623772794.db2.gz PWZDSZKFHIGBFY-IRXDYDNUSA-N 0 3 287.403 2.992 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992943713 623815263 /nfs/dbraw/zinc/81/52/63/623815263.db2.gz KQRKTWPLMPYYSW-UKRRQHHQSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992943709 623815831 /nfs/dbraw/zinc/81/58/31/623815831.db2.gz KQRKTWPLMPYYSW-DZGCQCFKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992981479 623829123 /nfs/dbraw/zinc/82/91/23/623829123.db2.gz LEISEDVGJGPFTG-UKRRQHHQSA-N 0 3 292.448 2.836 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990201 623832234 /nfs/dbraw/zinc/83/22/34/623832234.db2.gz YZTNAUNHBNTTDK-DZGCQCFKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993072558 623886919 /nfs/dbraw/zinc/88/69/19/623886919.db2.gz QBCCARLFGVAOKL-STQMWFEESA-N 0 3 293.436 2.610 20 30 CFEDHN CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CC(CC#N)C1 ZINC000826985548 623918287 /nfs/dbraw/zinc/91/82/87/623918287.db2.gz INOYWZDLRPGTFS-CQSZACIVSA-N 0 3 295.427 2.629 20 30 CFEDHN CCN(CCO)c1ccc(C=NOC(C)C)c(C)c1 ZINC000835004589 623928420 /nfs/dbraw/zinc/92/84/20/623928420.db2.gz SDMLHJKSWDHSQB-UHFFFAOYSA-N 0 3 264.369 2.573 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(Cl)nc2)nc(C)n1 ZINC000915103032 623982762 /nfs/dbraw/zinc/98/27/62/623982762.db2.gz BPNBRLJBQBYLKG-NSHDSACASA-N 0 3 286.722 2.632 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000827370155 623994938 /nfs/dbraw/zinc/99/49/38/623994938.db2.gz AHWPDEZBNHYECC-CABCVRRESA-N 0 3 273.376 2.698 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000827458610 624008842 /nfs/dbraw/zinc/00/88/42/624008842.db2.gz AYMCBNJNNDOVMR-INIZCTEOSA-N 0 3 297.402 2.613 20 30 CFEDHN C#C[C@@H](NCc1cccc(C)c1F)C1CCOCC1 ZINC000827555112 624029986 /nfs/dbraw/zinc/02/99/86/624029986.db2.gz NXUHEECXFZTVJH-OAHLLOKOSA-N 0 3 261.340 2.652 20 30 CFEDHN C#C[C@H](NCc1cc(Cl)cs1)C1CCOCC1 ZINC000827561009 624032701 /nfs/dbraw/zinc/03/27/01/624032701.db2.gz WVHUMNXXZYVZRA-ZDUSSCGKSA-N 0 3 269.797 2.920 20 30 CFEDHN C#C[C@@H](NCc1ccc(C)c(F)c1)C1CCOCC1 ZINC000827570526 624036328 /nfs/dbraw/zinc/03/63/28/624036328.db2.gz NUHMJWPGLIBYIG-MRXNPFEDSA-N 0 3 261.340 2.652 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993239434 624056594 /nfs/dbraw/zinc/05/65/94/624056594.db2.gz VSWDRPDNMOYONG-ZFWWWQNUSA-N 0 3 292.398 2.776 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993240244 624056864 /nfs/dbraw/zinc/05/68/64/624056864.db2.gz VVNMKUXUIIQXPH-ZFWWWQNUSA-N 0 3 276.380 2.747 20 30 CFEDHN C#CCCN(C/C=C\c1ccc(F)cc1)CCOC ZINC000827823193 624102475 /nfs/dbraw/zinc/10/24/75/624102475.db2.gz KHDIADNDECQXBL-WAYWQWQTSA-N 0 3 261.340 2.811 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2c(cccc2C)[nH]1 ZINC000827826686 624103951 /nfs/dbraw/zinc/10/39/51/624103951.db2.gz KEVVBBWPFKTAMZ-UHFFFAOYSA-N 0 3 270.376 2.948 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993700290 624162323 /nfs/dbraw/zinc/16/23/23/624162323.db2.gz DRUQCQSQFHNFAH-GDBMZVCRSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993704166 624163414 /nfs/dbraw/zinc/16/34/14/624163414.db2.gz PZNKTSHDOOZQRT-QAPCUYQASA-N 0 3 298.430 2.855 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994061295 624178632 /nfs/dbraw/zinc/17/86/32/624178632.db2.gz OOBKKDJJIPLXKT-STQMWFEESA-N 0 3 293.436 2.692 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994196259 624181593 /nfs/dbraw/zinc/18/15/93/624181593.db2.gz YOPSDVQBPLERLP-BBRMVZONSA-N 0 3 290.451 2.968 20 30 CFEDHN C(=NNCCN1CCCCC1)C1=Cc2ccccc2OC1 ZINC000915973478 624198743 /nfs/dbraw/zinc/19/87/43/624198743.db2.gz JPNATKHNXQRYDO-UHFFFAOYSA-N 0 3 285.391 2.524 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC000994328822 624276058 /nfs/dbraw/zinc/27/60/58/624276058.db2.gz OBKZMMYWURPNFF-AEFFLSMTSA-N 0 3 298.430 2.909 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994328827 624276194 /nfs/dbraw/zinc/27/61/94/624276194.db2.gz OBKZMMYWURPNFF-WMZOPIPTSA-N 0 3 298.430 2.909 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(F)cc1F)C(C)C ZINC000917068844 624306587 /nfs/dbraw/zinc/30/65/87/624306587.db2.gz DTEGLSWSVJAACE-CQSZACIVSA-N 0 3 255.308 2.895 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@]23C[C@H]2CCC3)CC1 ZINC000917097995 624310281 /nfs/dbraw/zinc/31/02/81/624310281.db2.gz PPBMPMBDMYNZOO-PBHICJAKSA-N 0 3 291.439 2.516 20 30 CFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100748 624313288 /nfs/dbraw/zinc/31/32/88/624313288.db2.gz WNCOJZRVZBGGBA-NSHDSACASA-N 0 3 285.372 2.567 20 30 CFEDHN C=C(Br)CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000828889139 624322108 /nfs/dbraw/zinc/32/21/08/624322108.db2.gz RPKLMLQBCZLAHX-NEPJUHHUSA-N 0 3 274.202 2.786 20 30 CFEDHN CC(C)OC(=O)[C@@H]1CCCN1CC1CCC(C#N)CC1 ZINC000929986776 624350168 /nfs/dbraw/zinc/35/01/68/624350168.db2.gz OWSFMDQIYSZUHT-NRXISQOPSA-N 0 3 278.396 2.732 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N[C@H](C)CCCCC)C1 ZINC000829769089 624529235 /nfs/dbraw/zinc/52/92/35/624529235.db2.gz OKSKPVUXYFDRMD-CVEARBPZSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000829773335 624529525 /nfs/dbraw/zinc/52/95/25/624529525.db2.gz DDZBIGQLEVPQSM-HZPDHXFCSA-N 0 3 284.403 2.773 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@H](C)CCCCC)C1 ZINC000829769091 624529545 /nfs/dbraw/zinc/52/95/45/624529545.db2.gz OKSKPVUXYFDRMD-HZPDHXFCSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000829774300 624530876 /nfs/dbraw/zinc/53/08/76/624530876.db2.gz OZGMZWGKUQZHQT-WBVHZDCISA-N 0 3 284.403 2.551 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000829774786 624531014 /nfs/dbraw/zinc/53/10/14/624531014.db2.gz UCISGRYJPNGOAD-CYBMUJFWSA-N 0 3 275.348 2.610 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000829773626 624531182 /nfs/dbraw/zinc/53/11/82/624531182.db2.gz HAMVOLYUHHKAEE-WMZOPIPTSA-N 0 3 298.430 2.735 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000829773683 624531514 /nfs/dbraw/zinc/53/15/14/624531514.db2.gz IBYREJSHDOZHKY-HNNXBMFYSA-N 0 3 267.376 2.878 20 30 CFEDHN C#CC[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000829778907 624533300 /nfs/dbraw/zinc/53/33/00/624533300.db2.gz KCIGBZDMPFMZNS-WBMJQRKESA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000829779590 624534596 /nfs/dbraw/zinc/53/45/96/624534596.db2.gz XDEKOHGXHMASSE-HUUCEWRRSA-N 0 3 270.376 2.749 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000829785075 624536900 /nfs/dbraw/zinc/53/69/00/624536900.db2.gz QIQQQWHNOLTCEQ-HUUCEWRRSA-N 0 3 288.435 2.511 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000829788944 624538075 /nfs/dbraw/zinc/53/80/75/624538075.db2.gz KFPBESKFUJZBQS-GFCCVEGCSA-N 0 3 277.389 2.770 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000830316588 624707664 /nfs/dbraw/zinc/70/76/64/624707664.db2.gz YWXKTZCWLIYILL-HZPDHXFCSA-N 0 3 298.430 2.906 20 30 CFEDHN CC(=Nn1cnnc1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000920359258 624714044 /nfs/dbraw/zinc/71/40/44/624714044.db2.gz JHJCBFYIXRVDGB-NWDGAFQWSA-N 0 3 260.728 2.959 20 30 CFEDHN CC(=Nn1cnnc1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000920359256 624714127 /nfs/dbraw/zinc/71/41/27/624714127.db2.gz JHJCBFYIXRVDGB-NEPJUHHUSA-N 0 3 260.728 2.959 20 30 CFEDHN C#CC1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000830345493 624716424 /nfs/dbraw/zinc/71/64/24/624716424.db2.gz FTWMPDZIVFWKHF-UHFFFAOYSA-N 0 3 259.324 2.744 20 30 CFEDHN CN(C)[C@H](CNCc1csc(C#N)c1)c1ccco1 ZINC000921478654 624908670 /nfs/dbraw/zinc/90/86/70/624908670.db2.gz OYVXBPFCCNROEY-CYBMUJFWSA-N 0 3 275.377 2.605 20 30 CFEDHN CN1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185736441 625768683 /nfs/dbraw/zinc/76/86/83/625768683.db2.gz FODPHZDVYCOHMZ-WBVHZDCISA-N 0 3 298.434 2.933 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834904088 625917515 /nfs/dbraw/zinc/91/75/15/625917515.db2.gz MSFQPYHPWUDNII-LOWVWBTDSA-N 0 3 279.355 2.996 20 30 CFEDHN CC1(C)C[C@@H](NN=C2CCCc3cc(N)ccc32)CCO1 ZINC000834973076 625939217 /nfs/dbraw/zinc/93/92/17/625939217.db2.gz SUDJSELOPTUWLV-AWEZNQCLSA-N 0 3 287.407 2.856 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)[C@H](C)CC(C)C)c1 ZINC000770509383 625940953 /nfs/dbraw/zinc/94/09/53/625940953.db2.gz LUIHELRJOVLPHT-CQSZACIVSA-N 0 3 272.392 2.973 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)C2=CCCCCC2)CC1 ZINC000997046092 625958196 /nfs/dbraw/zinc/95/81/96/625958196.db2.gz IHMOIXCRYHIEPU-OAHLLOKOSA-N 0 3 288.435 2.727 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N[C@H](C#N)C2CCCC2)c1 ZINC000921544406 625981696 /nfs/dbraw/zinc/98/16/96/625981696.db2.gz RHSMWRCTDIBTFS-MRXNPFEDSA-N 0 3 285.391 2.560 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCC(=C)CC2)CC1 ZINC000997286294 625986895 /nfs/dbraw/zinc/98/68/95/625986895.db2.gz BHIFZNNORSYKNR-OAHLLOKOSA-N 0 3 288.435 2.583 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000997296182 625987116 /nfs/dbraw/zinc/98/71/16/625987116.db2.gz MWHATLMQJFBTEU-DJIMGWMZSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000997309346 625987122 /nfs/dbraw/zinc/98/71/22/625987122.db2.gz OXIJEMOTRUEMGW-DJIMGWMZSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2csc(C)c2)CC1 ZINC000997796957 626015727 /nfs/dbraw/zinc/01/57/27/626015727.db2.gz MHJULNPATKOSTP-ZDUSSCGKSA-N 0 3 290.432 2.520 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997909384 626020577 /nfs/dbraw/zinc/02/05/77/626020577.db2.gz QZHJZVODUMQJAB-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C=CCCCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000851645427 634471293 /nfs/dbraw/zinc/47/12/93/634471293.db2.gz JQIOHUAGRWZJGJ-HNNXBMFYSA-N 0 3 274.364 2.642 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2CCCC2)C1 ZINC000998350030 626046036 /nfs/dbraw/zinc/04/60/36/626046036.db2.gz KLBOJXRINUXUPD-UHFFFAOYSA-N 0 3 270.804 2.508 20 30 CFEDHN CCCC(=O)N1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000998391318 626047555 /nfs/dbraw/zinc/04/75/55/626047555.db2.gz XUCVIBSWJGIZNO-LBPRGKRZSA-N 0 3 291.420 2.500 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](NCc3cccnc3)C2)C1 ZINC001000127074 626089334 /nfs/dbraw/zinc/08/93/34/626089334.db2.gz AUFNQKQESBNRAS-MRXNPFEDSA-N 0 3 299.418 2.519 20 30 CFEDHN C[C@@H](NCc1csc(C#N)c1)[C@@H](O)c1ccc(F)cc1 ZINC000921750479 626105800 /nfs/dbraw/zinc/10/58/00/626105800.db2.gz RIQUAMRBQLMPGA-MEBBXXQBSA-N 0 3 290.363 2.971 20 30 CFEDHN CO[C@@H](CNCc1csc(C#N)c1)C(C)(C)C ZINC000921805019 626134227 /nfs/dbraw/zinc/13/42/27/626134227.db2.gz BLGMCSFBERBHSX-LBPRGKRZSA-N 0 3 252.383 2.770 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccccc2C)CC1 ZINC001000392108 626115063 /nfs/dbraw/zinc/11/50/63/626115063.db2.gz OCKMQWOBBUVQNR-UHFFFAOYSA-N 0 3 270.376 2.543 20 30 CFEDHN C[C@@H](NCc1csc(C#N)c1)[C@@H](O)c1cccc(F)c1 ZINC000921815431 626140542 /nfs/dbraw/zinc/14/05/42/626140542.db2.gz HWKOXUMEHYMWBM-MEBBXXQBSA-N 0 3 290.363 2.971 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CC3(CCC3)C2)CC1 ZINC001001061638 626141874 /nfs/dbraw/zinc/14/18/74/626141874.db2.gz RXNYVHCZUATYGZ-UHFFFAOYSA-N 0 3 274.408 2.501 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001001070130 626142231 /nfs/dbraw/zinc/14/22/31/626142231.db2.gz PRWMPWAFVRLKQQ-UHFFFAOYSA-N 0 3 287.407 2.686 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001001982727 626166107 /nfs/dbraw/zinc/16/61/07/626166107.db2.gz LCLLDHXURGYACX-IRXDYDNUSA-N 0 3 290.451 2.664 20 30 CFEDHN C[C@@](O)(CNCc1csc(C#N)c1)c1ccc(F)cc1 ZINC000921940515 626182131 /nfs/dbraw/zinc/18/21/31/626182131.db2.gz TTWCNINYKXXCFQ-OAHLLOKOSA-N 0 3 290.363 2.756 20 30 CFEDHN CC(C)OCC(C)(C)NCc1csc(C#N)c1 ZINC000922183230 626233359 /nfs/dbraw/zinc/23/33/59/626233359.db2.gz BINXSHOKZDIARE-UHFFFAOYSA-N 0 3 252.383 2.913 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2occc2Cl)CC1 ZINC001003571612 626239427 /nfs/dbraw/zinc/23/94/27/626239427.db2.gz YUPSROJQUAMNNB-UHFFFAOYSA-N 0 3 282.771 2.703 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc(Oc2ccccn2)c1 ZINC000922217991 626243385 /nfs/dbraw/zinc/24/33/85/626243385.db2.gz YXWLXKGOYGFNJI-MRXNPFEDSA-N 0 3 296.370 2.738 20 30 CFEDHN C[C@@H](CNCc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000922227552 626244937 /nfs/dbraw/zinc/24/49/37/626244937.db2.gz YLFGGDCHECOBPY-JTQLQIEISA-N 0 3 280.393 2.687 20 30 CFEDHN CC1(C)CO[C@@H](CNCc2csc(C#N)c2)C1 ZINC000922324916 626270730 /nfs/dbraw/zinc/27/07/30/626270730.db2.gz VLNZSQKWTBUBHG-LLVKDONJSA-N 0 3 250.367 2.524 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001003998140 626277025 /nfs/dbraw/zinc/27/70/25/626277025.db2.gz PRKUXGBTOBMIQR-OAHLLOKOSA-N 0 3 286.419 2.865 20 30 CFEDHN Cc1ncc(CNC(C)(C)Cc2ccc(C#N)cc2)o1 ZINC000922603231 626323446 /nfs/dbraw/zinc/32/34/46/626323446.db2.gz ILJVUAURMLHGOU-UHFFFAOYSA-N 0 3 269.348 2.966 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CCCCO1 ZINC000922821734 626374393 /nfs/dbraw/zinc/37/43/93/626374393.db2.gz WXJMDXFONRAWKH-HNNXBMFYSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@H](O)c1ccccn1 ZINC000851737492 634500287 /nfs/dbraw/zinc/50/02/87/634500287.db2.gz FXKJHMIYYINYNQ-GOSISDBHSA-N 0 3 282.387 2.846 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C(F)=C2CCCC2)CC1 ZINC001005245830 626413651 /nfs/dbraw/zinc/41/36/51/626413651.db2.gz GATJAYIOHRKUQY-UHFFFAOYSA-N 0 3 280.387 2.893 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001005431756 626414749 /nfs/dbraw/zinc/41/47/49/626414749.db2.gz DRGVYPFCVHAKNQ-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001005431761 626414969 /nfs/dbraw/zinc/41/49/69/626414969.db2.gz DRGVYPFCVHAKNQ-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN Cc1ccc(NCCNCc2csc(C#N)c2)nc1 ZINC000922925284 626425553 /nfs/dbraw/zinc/42/55/53/626425553.db2.gz OEDUPURZXMAJCM-UHFFFAOYSA-N 0 3 272.377 2.525 20 30 CFEDHN C#CCC1([NH2+]Cc2nc(C)ccc2[O-])CCCCC1 ZINC000922981603 626438851 /nfs/dbraw/zinc/43/88/51/626438851.db2.gz QKGVYGMJRONPRU-UHFFFAOYSA-N 0 3 258.365 2.911 20 30 CFEDHN C#CCC1(NCc2cnn(C)c2Cl)CCCCC1 ZINC000922981292 626438863 /nfs/dbraw/zinc/43/88/63/626438863.db2.gz LQPOZFVNLAHZNN-UHFFFAOYSA-N 0 3 265.788 2.889 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001006231107 626480928 /nfs/dbraw/zinc/48/09/28/626480928.db2.gz YRGYDERGGJIMAC-IAGOWNOFSA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1CC(C)(C)C ZINC000838622735 626502111 /nfs/dbraw/zinc/50/21/11/626502111.db2.gz KIPCNORLPHBYSD-HNNXBMFYSA-N 0 3 293.455 2.552 20 30 CFEDHN C=CCN(CC=C)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000838783761 626506479 /nfs/dbraw/zinc/50/64/79/626506479.db2.gz UYRJXPWVVPKNLK-UHFFFAOYSA-N 0 3 280.412 2.965 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839188003 626530424 /nfs/dbraw/zinc/53/04/24/626530424.db2.gz SWJWBIUQLGPJPV-AEFFLSMTSA-N 0 3 285.387 2.700 20 30 CFEDHN C#CC[C@H](Nc1cc(C)nc(N)n1)c1ccccc1 ZINC000756957070 626542724 /nfs/dbraw/zinc/54/27/24/626542724.db2.gz KSZPKCRZTMLXOE-ZDUSSCGKSA-N 0 3 252.321 2.544 20 30 CFEDHN C=C(Br)CN[C@H](C)[C@](C)(OC)C1CC1 ZINC000839639113 626550695 /nfs/dbraw/zinc/55/06/95/626550695.db2.gz LYQMTNDCQWIXJT-KOLCDFICSA-N 0 3 262.191 2.688 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000757651781 626557237 /nfs/dbraw/zinc/55/72/37/626557237.db2.gz KHGBOZGPEJWDDL-ZDUSSCGKSA-N 0 3 280.412 2.777 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000757651778 626557255 /nfs/dbraw/zinc/55/72/55/626557255.db2.gz KHGBOZGPEJWDDL-CYBMUJFWSA-N 0 3 280.412 2.777 20 30 CFEDHN N#Cc1cccn(CN(CC2CC2)C2CCCCC2)c1=O ZINC000758218045 626583291 /nfs/dbraw/zinc/58/32/91/626583291.db2.gz BFFQJYCRQZJGJX-UHFFFAOYSA-N 0 3 285.391 2.722 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ncccc2C)nc(C)n1 ZINC000760198036 626718974 /nfs/dbraw/zinc/71/89/74/626718974.db2.gz PYQKBXVNHABUJF-UZYOAWRESA-N 0 3 292.342 2.687 20 30 CFEDHN C[C@@H](OC1CCCCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760359903 626739997 /nfs/dbraw/zinc/73/99/97/626739997.db2.gz VHJZDOCZHPTABL-TZMCWYRMSA-N 0 3 287.363 2.781 20 30 CFEDHN C#CCOCCN1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000851777222 634522547 /nfs/dbraw/zinc/52/25/47/634522547.db2.gz LTITVEWSVBHSSC-GOEBONIOSA-N 0 3 275.417 2.815 20 30 CFEDHN C[C@@H]1CC(N=Nc2cccc3ncccc23)CN1C ZINC000761805390 626859972 /nfs/dbraw/zinc/85/99/72/626859972.db2.gz CKEPDIOGMXRDIM-LLVKDONJSA-N 0 3 254.337 2.727 20 30 CFEDHN C#CCN(CCC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000763950842 627025292 /nfs/dbraw/zinc/02/52/92/627025292.db2.gz ZBBLUVSEVHIUCJ-SFHVURJKSA-N 0 3 296.414 2.668 20 30 CFEDHN C[C@H](C=Nn1cnnc1-c1ccccc1)CCC#N ZINC000766001765 627170384 /nfs/dbraw/zinc/17/03/84/627170384.db2.gz IQXZBPMGFAFSMD-LBPRGKRZSA-N 0 3 253.309 2.719 20 30 CFEDHN Cc1nc2sccn2c1C=NOCCN1CCCCC1 ZINC000766711595 627216408 /nfs/dbraw/zinc/21/64/08/627216408.db2.gz KSYCIILGAOFTIF-UHFFFAOYSA-N 0 3 292.408 2.541 20 30 CFEDHN C#CCCCN1CCN(Cc2ccccc2Cl)CC1 ZINC000766906565 627226579 /nfs/dbraw/zinc/22/65/79/627226579.db2.gz RPSQLYREUMFLBZ-UHFFFAOYSA-N 0 3 276.811 2.871 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@H]1C ZINC000769379583 627431976 /nfs/dbraw/zinc/43/19/76/627431976.db2.gz BWOBNKUTMDXHCQ-CABCVRRESA-N 0 3 287.407 2.503 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000769828933 627479660 /nfs/dbraw/zinc/47/96/60/627479660.db2.gz LWCNIXJBYJVPEM-SNVBAGLBSA-N 0 3 294.330 2.862 20 30 CFEDHN C#C[C@H](NCCSc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000851949283 634604354 /nfs/dbraw/zinc/60/43/54/634604354.db2.gz CEHZFDFTIUVDFV-UONOGXRCSA-N 0 3 297.370 2.827 20 30 CFEDHN C#C[C@@H](NCCSc1cccc(OC)c1)[C@@H]1CCCO1 ZINC000851949728 634604577 /nfs/dbraw/zinc/60/45/77/634604577.db2.gz IIHWEVOJBRZCGP-CVEARBPZSA-N 0 3 291.416 2.558 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000774245848 627908100 /nfs/dbraw/zinc/90/81/00/627908100.db2.gz VTZXWZFLEXTAFK-GDBMZVCRSA-N 0 3 268.360 2.871 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000774245866 627908410 /nfs/dbraw/zinc/90/84/10/627908410.db2.gz VTZXWZFLEXTAFK-ZBFHGGJFSA-N 0 3 268.360 2.871 20 30 CFEDHN CN1CCCc2cc(C=NOC3CCOCC3)ccc21 ZINC000774443586 627927137 /nfs/dbraw/zinc/92/71/37/627927137.db2.gz CXFDJXWJNUPRIQ-UHFFFAOYSA-N 0 3 274.364 2.599 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000774825556 627967829 /nfs/dbraw/zinc/96/78/29/627967829.db2.gz DOIBLMLPXXAQAO-SNVBAGLBSA-N 0 3 284.743 2.522 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(C)nn(CCCC)c1Cl ZINC000774826439 627968142 /nfs/dbraw/zinc/96/81/42/627968142.db2.gz IUGTZOOSEYBAAY-ZDUSSCGKSA-N 0 3 299.846 2.919 20 30 CFEDHN Cc1cc(CN2CCC(n3cccn3)CC2)ccc1C#N ZINC000774861095 627973173 /nfs/dbraw/zinc/97/31/73/627973173.db2.gz FEONCICGUFYMCP-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN COCC#CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000775548316 628036395 /nfs/dbraw/zinc/03/63/95/628036395.db2.gz OCBVJBMWBQCZPB-NSHDSACASA-N 0 3 287.281 2.886 20 30 CFEDHN C#C[C@H](N[C@@H]1CCc2ccc(C)cc21)[C@H]1CCCO1 ZINC000775574184 628042163 /nfs/dbraw/zinc/04/21/63/628042163.db2.gz OFLVHEKDLMECKM-GVDBMIGSSA-N 0 3 255.361 2.753 20 30 CFEDHN C[C@H](C1CC1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000777400733 628222449 /nfs/dbraw/zinc/22/24/49/628222449.db2.gz CRLGQRJIXXVBPB-PBHICJAKSA-N 0 3 269.392 2.667 20 30 CFEDHN CC(CN1CCCCCC1)=NO[C@H]1CCCCO1 ZINC000777442896 628226698 /nfs/dbraw/zinc/22/66/98/628226698.db2.gz GINRWWFSNLKOCQ-AWEZNQCLSA-N 0 3 254.374 2.782 20 30 CFEDHN CN(CCO)c1ccc(C=NOC2CCCCC2)cc1 ZINC000777458450 628227771 /nfs/dbraw/zinc/22/77/71/628227771.db2.gz HXAWKWVHZPVSDY-UHFFFAOYSA-N 0 3 276.380 2.798 20 30 CFEDHN C[C@H](C1CC1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000777821061 628254679 /nfs/dbraw/zinc/25/46/79/628254679.db2.gz LNBVLRHLXGAXTA-GFCCVEGCSA-N 0 3 273.355 2.618 20 30 CFEDHN COC[C@@H](C)NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000777903407 628264111 /nfs/dbraw/zinc/26/41/11/628264111.db2.gz ZWMFKPXQBINISY-FOCJWIDLSA-N 0 3 287.407 2.908 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCCCOC ZINC000778157795 628281788 /nfs/dbraw/zinc/28/17/88/628281788.db2.gz CCYHIWIHWPMBNV-UHFFFAOYSA-N 0 3 281.783 2.868 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)C1CC1 ZINC000778170818 628282868 /nfs/dbraw/zinc/28/28/68/628282868.db2.gz YRGYVLTWXIHZAH-INIZCTEOSA-N 0 3 293.794 2.603 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000852097039 634650682 /nfs/dbraw/zinc/65/06/82/634650682.db2.gz JCFIWONZEXWBPW-QAPCUYQASA-N 0 3 286.419 2.872 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000852097975 634651618 /nfs/dbraw/zinc/65/16/18/634651618.db2.gz BJMOARXVOWSGIC-WBMJQRKESA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000852098054 634652141 /nfs/dbraw/zinc/65/21/41/634652141.db2.gz DLYPLZCJJMSSLD-ROUUACIJSA-N 0 3 286.419 2.891 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000852099346 634652895 /nfs/dbraw/zinc/65/28/95/634652895.db2.gz KHYUYLNSGHFZKU-CRAIPNDOSA-N 0 3 286.419 2.733 20 30 CFEDHN COc1cc(C)cc(CN2CCC(C)(C#N)CC2)c1O ZINC000779879635 628415874 /nfs/dbraw/zinc/41/58/74/628415874.db2.gz WNZQNNAWRSBHLR-UHFFFAOYSA-N 0 3 274.364 2.835 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000852100709 634655052 /nfs/dbraw/zinc/65/50/52/634655052.db2.gz ZSXVVZUSSXRKLF-CXAGYDPISA-N 0 3 290.382 2.737 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000852102853 634657831 /nfs/dbraw/zinc/65/78/31/634657831.db2.gz RNNGLKRSMIANAT-LJQANCHMSA-N 0 3 298.430 2.878 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000852103691 634658988 /nfs/dbraw/zinc/65/89/88/634658988.db2.gz PCIXNDCJYCKMFD-IUODEOHRSA-N 0 3 279.405 2.543 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000852103717 634659438 /nfs/dbraw/zinc/65/94/38/634659438.db2.gz PCIXNDCJYCKMFD-SWLSCSKDSA-N 0 3 279.405 2.543 20 30 CFEDHN C#CCCN1CCCN(c2cccc(F)c2F)CC1 ZINC000852111306 634661675 /nfs/dbraw/zinc/66/16/75/634661675.db2.gz YNTIHPSSIIIYCI-UHFFFAOYSA-N 0 3 264.319 2.500 20 30 CFEDHN CC[C@@H](C#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000781189237 628530782 /nfs/dbraw/zinc/53/07/82/628530782.db2.gz ZXCBNTUZMGXYFO-INIZCTEOSA-N 0 3 286.375 2.744 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1COC(=O)NCCC ZINC000805772122 628862538 /nfs/dbraw/zinc/86/25/38/628862538.db2.gz CBELJKSZSACFTR-ZDUSSCGKSA-N 0 3 254.374 2.553 20 30 CFEDHN CC#CCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785713761 628907208 /nfs/dbraw/zinc/90/72/08/628907208.db2.gz KNDLNPRWEXHHMN-UHFFFAOYSA-N 0 3 271.360 2.853 20 30 CFEDHN CN1CCc2cc(C=NNC3CCCCC3)ccc21 ZINC000786043072 628932509 /nfs/dbraw/zinc/93/25/09/628932509.db2.gz GVASAGJDYBYXCV-UHFFFAOYSA-N 0 3 257.381 2.935 20 30 CFEDHN N#CC(C(=O)[C@@H]1CCCOCC1)c1nc2ccccc2[nH]1 ZINC000786273983 628946257 /nfs/dbraw/zinc/94/62/57/628946257.db2.gz CNJHYKWFXYJMKA-VXGBXAGGSA-N 0 3 283.331 2.556 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786539467 628967215 /nfs/dbraw/zinc/96/72/15/628967215.db2.gz IPYXYYOKVFUTAS-ZFWWWQNUSA-N 0 3 286.375 2.756 20 30 CFEDHN N#CCCCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786878088 628982799 /nfs/dbraw/zinc/98/27/99/628982799.db2.gz FZPYIAXHEXNSJZ-AWEZNQCLSA-N 0 3 264.369 2.630 20 30 CFEDHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787070487 628991412 /nfs/dbraw/zinc/99/14/12/628991412.db2.gz GHXAFIBJWPVUOX-BMFZPTHFSA-N 0 3 298.386 2.790 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000787309571 629005987 /nfs/dbraw/zinc/00/59/87/629005987.db2.gz JITHJDWZVZELOI-GFCCVEGCSA-N 0 3 261.321 2.661 20 30 CFEDHN C=CCOCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000788735313 629095676 /nfs/dbraw/zinc/09/56/76/629095676.db2.gz PHSXYZUSAHPZFG-NSHDSACASA-N 0 3 252.745 2.515 20 30 CFEDHN CC#CCN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789312287 629146649 /nfs/dbraw/zinc/14/66/49/629146649.db2.gz QOFWLKTWAMQBPW-UHFFFAOYSA-N 0 3 278.783 2.849 20 30 CFEDHN C#C[C@@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805886669 629148059 /nfs/dbraw/zinc/14/80/59/629148059.db2.gz GBFMJYVSUNRPTD-OAHLLOKOSA-N 0 3 285.387 2.854 20 30 CFEDHN CC(=N[N-]c1[nH+]ccn1C)c1cccc(OC(F)F)c1 ZINC000790299699 629227774 /nfs/dbraw/zinc/22/77/74/629227774.db2.gz HNLDIGIHGOLSEK-UHFFFAOYSA-N 0 3 280.278 2.858 20 30 CFEDHN Cc1cc(F)ccc1[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000852319228 634718609 /nfs/dbraw/zinc/71/86/09/634718609.db2.gz ICSNHZOTCHEWAS-CJNGLKHVSA-N 0 3 276.355 2.793 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000852319065 634719616 /nfs/dbraw/zinc/71/96/16/634719616.db2.gz GHCSMHJIPBDFDV-WBVHZDCISA-N 0 3 272.392 2.963 20 30 CFEDHN CN1c2ccc(CN3CCC[C@H](CC#N)C3)cc2CCC1=O ZINC000852319536 634719729 /nfs/dbraw/zinc/71/97/29/634719729.db2.gz OKKILGZBVQFRGG-CQSZACIVSA-N 0 3 297.402 2.721 20 30 CFEDHN CC(C)(CCC#N)COC(=O)C1CCN(C2CC2)CC1 ZINC000805948689 629289627 /nfs/dbraw/zinc/28/96/27/629289627.db2.gz GNXLMKYYRKLHIL-UHFFFAOYSA-N 0 3 278.396 2.734 20 30 CFEDHN C#CCN(CC)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791474051 629320138 /nfs/dbraw/zinc/32/01/38/629320138.db2.gz RTKVWWQYMLYSLR-SFHVURJKSA-N 0 3 267.372 2.698 20 30 CFEDHN C#CCOCCN(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000852342831 634727770 /nfs/dbraw/zinc/72/77/70/634727770.db2.gz LPWOWFPGEKSNRG-KRWDZBQOSA-N 0 3 287.403 2.706 20 30 CFEDHN C=CCN(C[C@H](O)c1ccccc1Cl)[C@@H](C)COC ZINC000852356840 634731061 /nfs/dbraw/zinc/73/10/61/634731061.db2.gz PSTQNKWNCVOVBP-WFASDCNBSA-N 0 3 283.799 2.896 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(Cl)cc1)[C@H](C)COC ZINC000852356855 634731519 /nfs/dbraw/zinc/73/15/19/634731519.db2.gz QCLLYIXMOJYNHE-DOMZBBRYSA-N 0 3 283.799 2.896 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2nccc3ccccc32)CCCO1 ZINC000792106179 629397716 /nfs/dbraw/zinc/39/77/16/629397716.db2.gz PLAJZUIECNAWLJ-WMLDXEAASA-N 0 3 280.327 2.980 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)c1cccc(Cl)c1 ZINC000794579234 629664466 /nfs/dbraw/zinc/66/44/66/629664466.db2.gz UTNATENUISKQPW-CYBMUJFWSA-N 0 3 251.757 2.717 20 30 CFEDHN Cc1nn(-c2ccncc2)cc1C=NNc1cccc(F)n1 ZINC000795006118 629721939 /nfs/dbraw/zinc/72/19/39/629721939.db2.gz DKKZMUKGQVAWOD-UHFFFAOYSA-N 0 3 296.309 2.556 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)NCC ZINC000796163350 629884296 /nfs/dbraw/zinc/88/42/96/629884296.db2.gz NVPVMSFRLRTNBM-CYBMUJFWSA-N 0 3 254.374 2.553 20 30 CFEDHN C=CCN(CC(=O)NCCCCCC)C(C)(C)C ZINC000852553327 634777548 /nfs/dbraw/zinc/77/75/48/634777548.db2.gz OGWDKNCRGLPOFL-UHFFFAOYSA-N 0 3 254.418 2.969 20 30 CFEDHN Cc1ccc([C@@H](O)[C@@H](C)NCc2ccc(C#N)o2)cc1 ZINC000796486649 629925663 /nfs/dbraw/zinc/92/56/63/629925663.db2.gz POSCQQIYPLHMNL-WBMJQRKESA-N 0 3 270.332 2.671 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)N(C)C ZINC000796550580 629933214 /nfs/dbraw/zinc/93/32/14/629933214.db2.gz IPAOWVXBTPZKET-CYBMUJFWSA-N 0 3 254.374 2.505 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796778295 629964703 /nfs/dbraw/zinc/96/47/03/629964703.db2.gz JVBPQKFBERQBRN-XHSDSOJGSA-N 0 3 298.386 2.805 20 30 CFEDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000797604723 630087802 /nfs/dbraw/zinc/08/78/02/630087802.db2.gz BRHYGTPGUVXGCQ-RYUDHWBXSA-N 0 3 281.400 2.572 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000797877976 630116172 /nfs/dbraw/zinc/11/61/72/630116172.db2.gz IFWZHADPWJWQPP-RHSMWYFYSA-N 0 3 291.391 2.862 20 30 CFEDHN C=CCCN1CCN(Cc2ccc(CC)cc2)CC1 ZINC000798957652 630264060 /nfs/dbraw/zinc/26/40/60/630264060.db2.gz FLHRILAOSFZSGI-UHFFFAOYSA-N 0 3 258.409 2.943 20 30 CFEDHN CCN1CCN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000799720627 630339022 /nfs/dbraw/zinc/33/90/22/630339022.db2.gz KQEZNBYPKFSDPU-NVXWUHKLSA-N 0 3 298.434 2.933 20 30 CFEDHN Cc1cc(NCc2ccc(C#N)c(Cl)c2)nc(N)n1 ZINC000800883563 630414409 /nfs/dbraw/zinc/41/44/09/630414409.db2.gz BQKBETWOEVOCIB-UHFFFAOYSA-N 0 3 273.727 2.504 20 30 CFEDHN C[C@@H](C#N)OCCN(C)CCOc1ccc(Cl)cc1 ZINC000801912039 630484891 /nfs/dbraw/zinc/48/48/91/630484891.db2.gz GMIWCXZPKFSLRN-LBPRGKRZSA-N 0 3 282.771 2.579 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@H]1c1ccsc1 ZINC000801915592 630486609 /nfs/dbraw/zinc/48/66/09/630486609.db2.gz SIBKQLSOTSEARK-AAEUAGOBSA-N 0 3 250.367 2.814 20 30 CFEDHN Cc1ccc(OC2CCN(CCO[C@H](C)C#N)CC2)cc1 ZINC000801921866 630488664 /nfs/dbraw/zinc/48/86/64/630488664.db2.gz NZZPNZUDVLJDJF-OAHLLOKOSA-N 0 3 288.391 2.767 20 30 CFEDHN Cc1nc2c(s1)[C@@H](N(C)CCO[C@@H](C)C#N)CCC2 ZINC000801932863 630490892 /nfs/dbraw/zinc/49/08/92/630490892.db2.gz ZXAOBGCZYBDGDA-GWCFXTLKSA-N 0 3 279.409 2.689 20 30 CFEDHN C[C@@H](C#N)OCCNC1(c2ccc(Cl)cc2)CC1 ZINC000801937037 630491824 /nfs/dbraw/zinc/49/18/24/630491824.db2.gz CANNGJGRFBTRNM-NSHDSACASA-N 0 3 264.756 2.847 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@@H]3C(F)F)nc21 ZINC000802087830 630501578 /nfs/dbraw/zinc/50/15/78/630501578.db2.gz FSRGNBXCQBOWCJ-LPEHRKFASA-N 0 3 289.285 2.949 20 30 CFEDHN C#CCCN(CCOC)Cc1cncc2ccccc21 ZINC000852748899 634823019 /nfs/dbraw/zinc/82/30/19/634823019.db2.gz KMYKMZGCSWISNX-UHFFFAOYSA-N 0 3 268.360 2.707 20 30 CFEDHN N#Cc1sc(N[C@H]2CCN(CC3CC3)C2)nc1Cl ZINC000804441626 630681544 /nfs/dbraw/zinc/68/15/44/630681544.db2.gz GLWSXRONHWCPBF-VIFPVBQESA-N 0 3 282.800 2.564 20 30 CFEDHN C=CCN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000102400433 630798577 /nfs/dbraw/zinc/79/85/77/630798577.db2.gz HFGBUAZDJKQZRQ-OLZOCXBDSA-N 0 3 268.401 2.940 20 30 CFEDHN C#CCC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCCCC1 ZINC000855165495 635475612 /nfs/dbraw/zinc/47/56/12/635475612.db2.gz WOLBMBMRHPUNNP-OAHLLOKOSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000836488763 630832437 /nfs/dbraw/zinc/83/24/37/630832437.db2.gz NHOBKVSJZDFNBI-JKSUJKDBSA-N 0 3 293.455 2.552 20 30 CFEDHN C#CCCCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000806959491 630850404 /nfs/dbraw/zinc/85/04/04/630850404.db2.gz OQQVIAYXNFNVJO-UHFFFAOYSA-N 0 3 293.455 2.697 20 30 CFEDHN COc1ccc(C[NH2+]Cc2cccc(C#N)c2)c([O-])c1 ZINC000040906693 649987133 /nfs/dbraw/zinc/98/71/33/649987133.db2.gz IJTCNLDGOUFLMZ-UHFFFAOYSA-N 0 3 268.316 2.562 20 30 CFEDHN C#CCCCC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000807681218 630904145 /nfs/dbraw/zinc/90/41/45/630904145.db2.gz GDCUVFCTVSXBHL-KBPBESRZSA-N 0 3 276.380 2.629 20 30 CFEDHN C#Cc1cccc(CNC(=O)[C@H](C)N2CCCCCC2)c1 ZINC000837106154 630956177 /nfs/dbraw/zinc/95/61/77/630956177.db2.gz XHLGZJUZTHSEPL-HNNXBMFYSA-N 0 3 284.403 2.549 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C#CC1CC1 ZINC000837432732 631028224 /nfs/dbraw/zinc/02/82/24/631028224.db2.gz XXRIAUJNCRPDJC-MRXNPFEDSA-N 0 3 296.414 2.523 20 30 CFEDHN CN(C)CCN(Cc1cccs1)C(=O)C#CC(C)(C)C ZINC000837460076 631036707 /nfs/dbraw/zinc/03/67/07/631036707.db2.gz WBGWYNGLHARBJS-UHFFFAOYSA-N 0 3 292.448 2.688 20 30 CFEDHN C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](c1ccccc1)N(C)C ZINC000837539854 631060042 /nfs/dbraw/zinc/06/00/42/631060042.db2.gz XUCLUSXPHIHXGD-RHSMWYFYSA-N 0 3 286.419 2.844 20 30 CFEDHN CC(C)(C)CC(C)(C)N1CCN(C(=O)C#CC2CC2)CC1 ZINC000837690202 631108656 /nfs/dbraw/zinc/10/86/56/631108656.db2.gz WAQZDVSQLJHPHW-UHFFFAOYSA-N 0 3 290.451 2.759 20 30 CFEDHN C#Cc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000809601545 631244050 /nfs/dbraw/zinc/24/40/50/631244050.db2.gz FUBVYCJBKIDFTB-UHFFFAOYSA-N 0 3 279.339 2.729 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OCC(F)(F)F)cc1 ZINC000809683453 631261428 /nfs/dbraw/zinc/26/14/28/631261428.db2.gz ALPWTJXIRGOJMS-JTQLQIEISA-N 0 3 257.255 2.739 20 30 CFEDHN C#C[C@H](C)NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000809684095 631261970 /nfs/dbraw/zinc/26/19/70/631261970.db2.gz NHYVGPFHOVLTDA-JTQLQIEISA-N 0 3 259.740 2.841 20 30 CFEDHN COc1cccc(CNCc2ccc(C#N)s2)c1O ZINC000809740409 631275522 /nfs/dbraw/zinc/27/55/22/631275522.db2.gz XZQPEZVIYFFDMW-UHFFFAOYSA-N 0 3 274.345 2.624 20 30 CFEDHN C#C[C@@H](NCc1cnc2c(C)cccn12)C(C)(C)C ZINC000809781891 631287849 /nfs/dbraw/zinc/28/78/49/631287849.db2.gz CRUCWECPNXOBNC-CQSZACIVSA-N 0 3 255.365 2.780 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000810037483 631318015 /nfs/dbraw/zinc/31/80/15/631318015.db2.gz PXWODKIFJMJDFL-AWEZNQCLSA-N 0 3 266.385 2.696 20 30 CFEDHN c1ccc([C@@H]2CC(=NN[C@@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841635885 631439780 /nfs/dbraw/zinc/43/97/80/631439780.db2.gz QHKBRXYEQHQKKN-AEFFLSMTSA-N 0 3 299.418 2.720 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NNC[C@@H]1CCSC1 ZINC000841639526 631440568 /nfs/dbraw/zinc/44/05/68/631440568.db2.gz SDVUYCSQXMCSEO-ZDUSSCGKSA-N 0 3 277.437 2.738 20 30 CFEDHN C=CCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000811010009 631495751 /nfs/dbraw/zinc/49/57/51/631495751.db2.gz FSKHGQMNWOLYBQ-UHFFFAOYSA-N 0 3 251.370 2.760 20 30 CFEDHN C#CCN1CCC(C(=O)NCCCCCCCC=C)CC1 ZINC000811589973 631583390 /nfs/dbraw/zinc/58/33/90/631583390.db2.gz MURPAGZJJPWQHZ-UHFFFAOYSA-N 0 3 290.451 2.974 20 30 CFEDHN CCCCCCO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000842335049 631596290 /nfs/dbraw/zinc/59/62/90/631596290.db2.gz ISCLXZGMJZFCLI-CHWSQXEVSA-N 0 3 275.352 2.638 20 30 CFEDHN C=CCCCCCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000811892291 631637201 /nfs/dbraw/zinc/63/72/01/631637201.db2.gz PNBFNMDPEFQHIV-OAHLLOKOSA-N 0 3 281.444 2.906 20 30 CFEDHN C[C@H](CO)N(C)N=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000842545254 631660810 /nfs/dbraw/zinc/66/08/10/631660810.db2.gz ROSNOULHVIILKB-DMDHLCOLSA-N 0 3 287.407 2.596 20 30 CFEDHN N#CCCCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000813083130 631830074 /nfs/dbraw/zinc/83/00/74/631830074.db2.gz JIXYXSRLDATIAZ-MRXNPFEDSA-N 0 3 286.375 2.888 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000843422925 631952623 /nfs/dbraw/zinc/95/26/23/631952623.db2.gz JIRKALNNFNXZIC-CYBMUJFWSA-N 0 3 289.375 2.864 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccnn2CC(C)C)C1 ZINC000843424244 631953651 /nfs/dbraw/zinc/95/36/51/631953651.db2.gz WPRITRBTGRKAOE-HNNXBMFYSA-N 0 3 259.397 2.774 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843425139 631954413 /nfs/dbraw/zinc/95/44/13/631954413.db2.gz FPJMFEPLQHKPKV-GOSISDBHSA-N 0 3 299.418 2.527 20 30 CFEDHN C#CC1CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC000843428273 631955450 /nfs/dbraw/zinc/95/54/50/631955450.db2.gz FMFYVXXVAAYDQE-UHFFFAOYSA-N 0 3 273.376 2.939 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000814107363 632014524 /nfs/dbraw/zinc/01/45/24/632014524.db2.gz FKZOFAZTIKXEQS-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(=NNCCN1CCCCC1)c1ccc(Cl)c(N)c1 ZINC000814808909 632130211 /nfs/dbraw/zinc/13/02/11/632130211.db2.gz UWODUYFMMGIZPL-UHFFFAOYSA-N 0 3 294.830 2.722 20 30 CFEDHN c1cc2c(s1)CCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000814886211 632149003 /nfs/dbraw/zinc/14/90/03/632149003.db2.gz VDLXJLXCAXSHGL-STQMWFEESA-N 0 3 288.420 2.649 20 30 CFEDHN CC1(C)C[C@H](NN=C2CCCc3ccc(N)cc32)CCO1 ZINC000814908051 632159020 /nfs/dbraw/zinc/15/90/20/632159020.db2.gz GSZDVDZGDAUTEJ-CQSZACIVSA-N 0 3 287.407 2.856 20 30 CFEDHN CC1(C)C[C@@H](NN=C2CCCc3ccc(N)cc32)CCO1 ZINC000814908050 632159351 /nfs/dbraw/zinc/15/93/51/632159351.db2.gz GSZDVDZGDAUTEJ-AWEZNQCLSA-N 0 3 287.407 2.856 20 30 CFEDHN C#C[C@H](NCCO[C@H](CC)c1ccccc1)[C@@H]1CCCO1 ZINC000844322748 632169255 /nfs/dbraw/zinc/16/92/55/632169255.db2.gz PDFBCAMMBWZPHM-KSZLIROESA-N 0 3 287.403 2.925 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000844356408 632179342 /nfs/dbraw/zinc/17/93/42/632179342.db2.gz IDULMUHGGURQKK-CJNGLKHVSA-N 0 3 276.355 2.718 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844376150 632185453 /nfs/dbraw/zinc/18/54/53/632185453.db2.gz RWEQMKIKXJMNFG-JKSUJKDBSA-N 0 3 295.810 2.560 20 30 CFEDHN C=CCOCCN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000815054222 632191739 /nfs/dbraw/zinc/19/17/39/632191739.db2.gz YJXRSDWKMRWDQG-UHFFFAOYSA-N 0 3 289.419 2.789 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(N(C)C)c(C)c1 ZINC000815099968 632200331 /nfs/dbraw/zinc/20/03/31/632200331.db2.gz AEPHGGKFKXBSBS-UHFFFAOYSA-N 0 3 262.397 2.695 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560523 632288863 /nfs/dbraw/zinc/28/88/63/632288863.db2.gz JLNILVZDMZWMLZ-NSHDSACASA-N 0 3 296.330 2.899 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@@]1(C)CCCO1 ZINC000815595240 632294591 /nfs/dbraw/zinc/29/45/91/632294591.db2.gz LMBSBVYBKZEBGH-XHDPSFHLSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCC1(C(=O)OC[C@@H]2CCN2C(C)(C)C)CCOCC1 ZINC000845727622 632535610 /nfs/dbraw/zinc/53/56/10/632535610.db2.gz CRZIRKGAAGOIGG-AWEZNQCLSA-N 0 3 295.423 2.775 20 30 CFEDHN C#CCCCCCC(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845733260 632539002 /nfs/dbraw/zinc/53/90/02/632539002.db2.gz UOTSBNLAYVEBBT-CQSZACIVSA-N 0 3 265.397 2.986 20 30 CFEDHN CCC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCCC1 ZINC000845849632 632580220 /nfs/dbraw/zinc/58/02/20/632580220.db2.gz DEHWZLNHSOYBFA-GFCCVEGCSA-N 0 3 294.395 2.697 20 30 CFEDHN CC1(C)OCC[C@@H]1NN=C1CCCCc2ccc(N)cc21 ZINC000817329474 632604213 /nfs/dbraw/zinc/60/42/13/632604213.db2.gz AIVYHZINXRJHIK-INIZCTEOSA-N 0 3 287.407 2.856 20 30 CFEDHN CC[C@@H](CC#N)NC1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845959380 632604846 /nfs/dbraw/zinc/60/48/46/632604846.db2.gz WKANFWAXVPMUAE-MOKVOYLWSA-N 0 3 295.427 2.962 20 30 CFEDHN CCCCCCCC(=O)N1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000818032897 632790849 /nfs/dbraw/zinc/79/08/49/632790849.db2.gz CMZYFIRYVBOBDV-JKSUJKDBSA-N 0 3 296.455 2.669 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(C(OC)OC)ccc1F ZINC000818216619 632814352 /nfs/dbraw/zinc/81/43/52/632814352.db2.gz XFETXFYCVZZAQB-AWEZNQCLSA-N 0 3 297.370 2.534 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nn1 ZINC000818346462 632834971 /nfs/dbraw/zinc/83/49/71/632834971.db2.gz LLQVNFJTYPIHGU-RBSFLKMASA-N 0 3 274.412 2.913 20 30 CFEDHN C#CCN(C)CCCNC(=O)C=C(CCC)CCC ZINC000818588663 632873865 /nfs/dbraw/zinc/87/38/65/632873865.db2.gz AKOPKAOGWDYBKK-UHFFFAOYSA-N 0 3 264.413 2.584 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(CCCC)cc1 ZINC000818599437 632876037 /nfs/dbraw/zinc/87/60/37/632876037.db2.gz QRHMFZRVPRTPOD-UHFFFAOYSA-N 0 3 286.419 2.714 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cccc(C2CCC2)c1 ZINC000818606329 632877888 /nfs/dbraw/zinc/87/78/88/632877888.db2.gz MYBLCCWGAYRKKD-UHFFFAOYSA-N 0 3 284.403 2.639 20 30 CFEDHN C#C[C@H]1CCCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000847018564 632884142 /nfs/dbraw/zinc/88/41/42/632884142.db2.gz LEWKUIPFOYNTBF-JTQLQIEISA-N 0 3 285.256 2.546 20 30 CFEDHN N#Cc1ccc(C2(NC[C@@H]3CC4(CC4)C(=O)O3)CCC2)cc1 ZINC000847059760 632906335 /nfs/dbraw/zinc/90/63/35/632906335.db2.gz PFVBWTLYMQUBCB-HNNXBMFYSA-N 0 3 296.370 2.623 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CNCC#Cc2ccccc2)c1 ZINC000818945517 632912454 /nfs/dbraw/zinc/91/24/54/632912454.db2.gz ILPOTVYAQAIIDN-IBGZPJMESA-N 0 3 279.383 2.978 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCC1CCCCCCC1 ZINC000848397899 633248908 /nfs/dbraw/zinc/24/89/08/633248908.db2.gz OJKHJGLHSILHRC-HNNXBMFYSA-N 0 3 279.428 2.874 20 30 CFEDHN Clc1cncc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848404219 633249303 /nfs/dbraw/zinc/24/93/03/633249303.db2.gz HEYBHNIRBKRWJF-NSHDSACASA-N 0 3 279.775 2.546 20 30 CFEDHN Cc1ccnc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848406536 633250164 /nfs/dbraw/zinc/25/01/64/633250164.db2.gz GNEZEINDFHOCOO-CQSZACIVSA-N 0 3 258.369 2.806 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000848923990 633406876 /nfs/dbraw/zinc/40/68/76/633406876.db2.gz ULWNRLOEIPPBQR-ZDUSSCGKSA-N 0 3 259.349 2.549 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@@H](C)N)nn1 ZINC000849150696 633568887 /nfs/dbraw/zinc/56/88/87/633568887.db2.gz OLLKJJHDZSVLNB-OCCSQVGLSA-N 0 3 256.353 2.658 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](C)c2cccc(F)c2)nn1 ZINC000850082410 633828580 /nfs/dbraw/zinc/82/85/80/633828580.db2.gz RTWDWRJOINLKED-CYBMUJFWSA-N 0 3 288.370 2.887 20 30 CFEDHN CCOC(=O)N1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000850390792 633973099 /nfs/dbraw/zinc/97/30/99/633973099.db2.gz SQCVXIITSVXVBM-UHFFFAOYSA-N 0 3 293.411 2.671 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014497916 651186176 /nfs/dbraw/zinc/18/61/76/651186176.db2.gz XNSTZZXELMYRFZ-SOUVJXGZSA-N 0 3 278.440 2.825 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850761031 634081989 /nfs/dbraw/zinc/08/19/89/634081989.db2.gz FXHFUDAIVAQYDK-AWEZNQCLSA-N 0 3 298.342 2.533 20 30 CFEDHN CCN(CC)c1ccc(/C=N/Cc2ncccn2)c(O)c1 ZINC000852997690 634870640 /nfs/dbraw/zinc/87/06/40/634870640.db2.gz AOPZXWHPUSCTII-GZTJUZNOSA-N 0 3 284.363 2.648 20 30 CFEDHN C#Cc1cccnc1NC[C@H](c1ccco1)N1CCCC1 ZINC000853088033 634899255 /nfs/dbraw/zinc/89/92/55/634899255.db2.gz UTEDTIYPSJVLRQ-OAHLLOKOSA-N 0 3 281.359 2.905 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C[C@H](CCC)CC2=O)C1 ZINC000853536471 635030607 /nfs/dbraw/zinc/03/06/07/635030607.db2.gz CSECWNCZYMHLGO-LSDHHAIUSA-N 0 3 264.413 2.881 20 30 CFEDHN CCCCCCCC[C@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000854015335 635193144 /nfs/dbraw/zinc/19/31/44/635193144.db2.gz LFJOGPRICCRIOS-HNNXBMFYSA-N 0 3 296.455 2.574 20 30 CFEDHN C#Cc1cccc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)c1 ZINC000854247210 635271834 /nfs/dbraw/zinc/27/18/34/635271834.db2.gz WLSWVAHVXOLQIX-HNNXBMFYSA-N 0 3 285.391 2.662 20 30 CFEDHN CC(C)C#CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000854387375 635298322 /nfs/dbraw/zinc/29/83/22/635298322.db2.gz XVFFMDXPGQPIQW-OAHLLOKOSA-N 0 3 292.810 2.718 20 30 CFEDHN C=C(CN(C)C)C(=O)N(OC)[C@@H](C)c1ccccc1C ZINC000854522055 635325556 /nfs/dbraw/zinc/32/55/56/635325556.db2.gz QZCHAHXUNCGKOU-AWEZNQCLSA-N 0 3 276.380 2.564 20 30 CFEDHN CCc1ccc(C#CC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000855162980 635474284 /nfs/dbraw/zinc/47/42/84/635474284.db2.gz QLYAMOKKUYRSQU-KRWDZBQOSA-N 0 3 298.430 2.590 20 30 CFEDHN C#CCCCCCC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855164566 635474390 /nfs/dbraw/zinc/47/43/90/635474390.db2.gz MPLPDKIERBPDBL-CQSZACIVSA-N 0 3 264.413 2.559 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000856201291 635755264 /nfs/dbraw/zinc/75/52/64/635755264.db2.gz YEVMNBSZNCAFLJ-VBQJREDUSA-N 0 3 294.414 2.909 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857912484 636064174 /nfs/dbraw/zinc/06/41/74/636064174.db2.gz BTTSTQAXEJPYNP-RYUDHWBXSA-N 0 3 266.772 2.639 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857912486 636064275 /nfs/dbraw/zinc/06/42/75/636064275.db2.gz BTTSTQAXEJPYNP-VXGBXAGGSA-N 0 3 266.772 2.639 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN([C@H](C)CCC#N)C2)nc1 ZINC000858042179 636117449 /nfs/dbraw/zinc/11/74/49/636117449.db2.gz XAEFVWOWMHNQLS-ZIAGYGMSSA-N 0 3 259.353 2.535 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN([C@@H](C)CCC#N)C2)nc1 ZINC000858042178 636117931 /nfs/dbraw/zinc/11/79/31/636117931.db2.gz XAEFVWOWMHNQLS-UONOGXRCSA-N 0 3 259.353 2.535 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cc(F)c(N(C)C)cc1F ZINC000858333796 636193547 /nfs/dbraw/zinc/19/35/47/636193547.db2.gz BJERVXQLJASPLQ-CYBMUJFWSA-N 0 3 296.361 2.549 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccnc(CO)c1 ZINC000858518629 636280298 /nfs/dbraw/zinc/28/02/98/636280298.db2.gz UCUHYIOJCNNPFS-INIZCTEOSA-N 0 3 265.316 2.545 20 30 CFEDHN C#CCCOC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000858880001 636369017 /nfs/dbraw/zinc/36/90/17/636369017.db2.gz HWWXHCTUQICSMP-MRXNPFEDSA-N 0 3 286.375 2.573 20 30 CFEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC(C)C ZINC000116592927 636479799 /nfs/dbraw/zinc/47/97/99/636479799.db2.gz FIESPDJTQVUDJD-DZGCQCFKSA-N 0 3 286.375 2.722 20 30 CFEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC(C)C ZINC000116592934 636479827 /nfs/dbraw/zinc/47/98/27/636479827.db2.gz FIESPDJTQVUDJD-HIFRSBDPSA-N 0 3 286.375 2.722 20 30 CFEDHN C=CC[C@H]1CCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000859444375 636564408 /nfs/dbraw/zinc/56/44/08/636564408.db2.gz LXYCCOVQHPPPBL-NSHDSACASA-N 0 3 253.777 2.780 20 30 CFEDHN C=C(Br)CN[C@]1(CO)CCCC(C)(C)C1 ZINC000859615578 636623090 /nfs/dbraw/zinc/62/30/90/636623090.db2.gz RPIKGCNDIKBVIK-GFCCVEGCSA-N 0 3 276.218 2.816 20 30 CFEDHN CCCCCCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000859699108 636656792 /nfs/dbraw/zinc/65/67/92/636656792.db2.gz HTOOJEJNFNPSDT-UHFFFAOYSA-N 0 3 290.411 2.819 20 30 CFEDHN C#CCCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000860010549 636759449 /nfs/dbraw/zinc/75/94/49/636759449.db2.gz BRUKNIPSAJDSAT-UHFFFAOYSA-N 0 3 281.403 2.699 20 30 CFEDHN C=CCN1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860143744 636800487 /nfs/dbraw/zinc/80/04/87/636800487.db2.gz SFBFSFQACIVADZ-INIZCTEOSA-N 0 3 261.365 2.627 20 30 CFEDHN C=CCN1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860143745 636800886 /nfs/dbraw/zinc/80/08/86/636800886.db2.gz SFBFSFQACIVADZ-MRXNPFEDSA-N 0 3 261.365 2.627 20 30 CFEDHN C=CCC1(C(=O)OC[C@]2(C)C[C@@H](OC)CN2C)CCCC1 ZINC000861353751 637172368 /nfs/dbraw/zinc/17/23/68/637172368.db2.gz PYSMFCIZLBGKBK-ZBFHGGJFSA-N 0 3 295.423 2.775 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000862447327 637387612 /nfs/dbraw/zinc/38/76/12/637387612.db2.gz LQEIBQNJQURZDC-HNNXBMFYSA-N 0 3 295.386 2.726 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CC=C(C(=O)OC)C1 ZINC000862464632 637390781 /nfs/dbraw/zinc/39/07/81/637390781.db2.gz DPEROMLQKGCISN-HNNXBMFYSA-N 0 3 287.359 2.603 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ncccc1C(F)(F)F ZINC000862548065 637421102 /nfs/dbraw/zinc/42/11/02/637421102.db2.gz XEQMRGGDLSNGRC-LLVKDONJSA-N 0 3 286.297 2.618 20 30 CFEDHN C#CC[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000862563081 637430782 /nfs/dbraw/zinc/43/07/82/637430782.db2.gz IMOCIIHXGLFDSI-SJLPKXTDSA-N 0 3 296.414 2.523 20 30 CFEDHN CCOc1ccc(N=NC2CN3C[C@@H]2CCC3)cc1 ZINC000863117068 637562469 /nfs/dbraw/zinc/56/24/69/637562469.db2.gz HTQIRWYWXJQRML-LBPRGKRZSA-N 0 3 259.353 2.579 20 30 CFEDHN CCC(=NN[C@@H]1CCOC1(C)C)c1ccc(N)cc1 ZINC000863117903 637562760 /nfs/dbraw/zinc/56/27/60/637562760.db2.gz HAEFPRFHSBZUGQ-CQSZACIVSA-N 0 3 261.369 2.540 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1sc(C)nc1C ZINC000863158793 637573111 /nfs/dbraw/zinc/57/31/11/637573111.db2.gz QXHNQZWJOFPJAL-UHFFFAOYSA-N 0 3 260.366 2.721 20 30 CFEDHN COC[C@@H](C)Oc1ccc(C=NNc2ccnc(C)c2)cc1 ZINC000863160590 637575782 /nfs/dbraw/zinc/57/57/82/637575782.db2.gz LBKWMZNBDHCQSN-CQSZACIVSA-N 0 3 299.374 2.672 20 30 CFEDHN COC[C@H](C)Oc1ccc(C=NNc2ccnc(C)c2)cc1 ZINC000863160589 637575855 /nfs/dbraw/zinc/57/58/55/637575855.db2.gz LBKWMZNBDHCQSN-AWEZNQCLSA-N 0 3 299.374 2.672 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccnc(C(F)(F)F)c1 ZINC000863181713 637581334 /nfs/dbraw/zinc/58/13/34/637581334.db2.gz QIDZVIDGXISTRM-VIFPVBQESA-N 0 3 298.312 2.982 20 30 CFEDHN C#CCCCCC(=O)N(CCN(C)C)C1CCCC1 ZINC000120143948 638044181 /nfs/dbraw/zinc/04/41/81/638044181.db2.gz DBAZWTFHCWWHGW-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001006445928 650422487 /nfs/dbraw/zinc/42/24/87/650422487.db2.gz QDGFYSPJDMWMCJ-VMBOVVBDSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865587817 638443417 /nfs/dbraw/zinc/44/34/17/638443417.db2.gz UTIITFAADYYEDZ-UHFFFAOYSA-N 0 3 292.383 2.879 20 30 CFEDHN CN(C)c1ccc(F)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000865609719 638458248 /nfs/dbraw/zinc/45/82/48/638458248.db2.gz PZOHWJLZGMJPRC-SMDDNHRTSA-N 0 3 261.344 2.674 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCC1SCCS1 ZINC000865632916 638476371 /nfs/dbraw/zinc/47/63/71/638476371.db2.gz TUEAMYYLXWIUCO-UHFFFAOYSA-N 0 3 293.461 2.520 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(C(=O)OCC)no2)C1 ZINC000865763833 638560674 /nfs/dbraw/zinc/56/06/74/638560674.db2.gz OSEYCXHFVAEETN-VXGBXAGGSA-N 0 3 278.352 2.686 20 30 CFEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1ccnn1C ZINC000865838774 638603713 /nfs/dbraw/zinc/60/37/13/638603713.db2.gz CCTMPGNNBNYJPM-AWEZNQCLSA-N 0 3 297.406 2.621 20 30 CFEDHN C[C@H](NC(=O)c1coc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000867469861 638879863 /nfs/dbraw/zinc/87/98/63/638879863.db2.gz IIKVEVRCRKAKPP-LRDDRELGSA-N 0 3 297.358 2.572 20 30 CFEDHN CCc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121737674 638889538 /nfs/dbraw/zinc/88/95/38/638889538.db2.gz CQRZJXPTHNOTFG-BLLLJJGKSA-N 0 3 298.386 2.730 20 30 CFEDHN C#CCCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000192233374 650551133 /nfs/dbraw/zinc/55/11/33/650551133.db2.gz HMRQDZQSPUQVNX-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017664520 651255626 /nfs/dbraw/zinc/25/56/26/651255626.db2.gz IHSATZXHRGTHSN-SOUVJXGZSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2c(C)cccc2F)CC1 ZINC001006471699 650613846 /nfs/dbraw/zinc/61/38/46/650613846.db2.gz YFYHVWOHXURVJU-UHFFFAOYSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCC1(C(=O)N2CCN(C)C(C)(C)CC2)CCCCC1 ZINC000871156736 641222098 /nfs/dbraw/zinc/22/20/98/641222098.db2.gz KZQFOJLOXQJWND-UHFFFAOYSA-N 0 3 290.451 2.903 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC(Cc3cccs3)C2)cc1 ZINC000871986772 641544031 /nfs/dbraw/zinc/54/40/31/641544031.db2.gz PSEQVPPVYGIQNL-KRWDZBQOSA-N 0 3 298.411 2.828 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)CCC(F)(F)F)nn1 ZINC000872081105 641614570 /nfs/dbraw/zinc/61/45/70/641614570.db2.gz VGDIOZHXWRUADW-SNVBAGLBSA-N 0 3 276.306 2.675 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129509 641658056 /nfs/dbraw/zinc/65/80/56/641658056.db2.gz FYVDUIVQXZPLMY-GRYCIOLGSA-N 0 3 259.309 2.938 20 30 CFEDHN C#C[C@H]1CC[C@H]([NH2+][C@@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000872140240 641668375 /nfs/dbraw/zinc/66/83/75/641668375.db2.gz ZZYMOPVGOIGQOE-FVQBIDKESA-N 0 3 280.375 2.676 20 30 CFEDHN Cc1ccc(CN2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cc1C#N ZINC000872262980 641725872 /nfs/dbraw/zinc/72/58/72/641725872.db2.gz SMWUYDXAIXKJNT-BBWFWOEESA-N 0 3 284.403 2.848 20 30 CFEDHN Cc1c(Cl)cnc(N2CC[C@H]3[C@@H]2CCCN3C)c1C#N ZINC000872779065 641933719 /nfs/dbraw/zinc/93/37/19/641933719.db2.gz DQMCVJQENNIQON-KBPBESRZSA-N 0 3 290.798 2.588 20 30 CFEDHN C#C[C@H](NCc1cccc2ncccc12)[C@@H]1CCCO1 ZINC000873109114 642013563 /nfs/dbraw/zinc/01/35/63/642013563.db2.gz ZYJSKLASZUZULZ-RDJZCZTQSA-N 0 3 266.344 2.505 20 30 CFEDHN C#C[C@@H](NCc1cccc2ncccc12)[C@H]1CCCO1 ZINC000873109113 642013760 /nfs/dbraw/zinc/01/37/60/642013760.db2.gz ZYJSKLASZUZULZ-NVXWUHKLSA-N 0 3 266.344 2.505 20 30 CFEDHN C#C[C@@H](NCc1cccc2ncccc12)[C@@H]1CCCO1 ZINC000873109115 642014270 /nfs/dbraw/zinc/01/42/70/642014270.db2.gz ZYJSKLASZUZULZ-WBVHZDCISA-N 0 3 266.344 2.505 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCC12CCOCC2 ZINC000873148900 642031985 /nfs/dbraw/zinc/03/19/85/642031985.db2.gz JELOGDHPDJVXMK-AWEZNQCLSA-N 0 3 288.366 2.994 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(F)c1 ZINC000873155582 642038115 /nfs/dbraw/zinc/03/81/15/642038115.db2.gz GCROYBPPVCCSAQ-NOLJZWGESA-N 0 3 274.339 2.745 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cn(-c3ccccc3C)nn2)CC1 ZINC000873198031 642062119 /nfs/dbraw/zinc/06/21/19/642062119.db2.gz NLJXJGYMYFOWFN-WKILWMFISA-N 0 3 294.402 2.857 20 30 CFEDHN C=CCN(C(=O)NC[C@@H]1CCN1C1CCCC1)C(C)C ZINC000875872792 642703559 /nfs/dbraw/zinc/70/35/59/642703559.db2.gz IDIMFGIJGSLPOM-HNNXBMFYSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](CC)CCCC ZINC000876544127 642912985 /nfs/dbraw/zinc/91/29/85/642912985.db2.gz NXSRXEOEIFSUGX-NWDGAFQWSA-N 0 3 260.809 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(C)c1 ZINC000876545450 642913457 /nfs/dbraw/zinc/91/34/57/642913457.db2.gz MTXDAJCTPUTCMX-LBPRGKRZSA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000876550711 642918568 /nfs/dbraw/zinc/91/85/68/642918568.db2.gz BUVLRTQHEDTAAP-ZDUSSCGKSA-N 0 3 264.756 2.584 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)C(C)C ZINC000876550170 642918732 /nfs/dbraw/zinc/91/87/32/642918732.db2.gz RIPUIAOKIFLWFK-CQSZACIVSA-N 0 3 280.799 2.894 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000876562462 642923883 /nfs/dbraw/zinc/92/38/83/642923883.db2.gz QPOOEOMNDAGNGS-MNOVXSKESA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](CC)c1ccccc1 ZINC000876561703 642924357 /nfs/dbraw/zinc/92/43/57/642924357.db2.gz QVHQABYFPJZLDK-OCCSQVGLSA-N 0 3 280.799 2.766 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCc1ccc(C)cc1C ZINC000876563426 642925314 /nfs/dbraw/zinc/92/53/14/642925314.db2.gz GWQOMPGPBXMXDF-HNNXBMFYSA-N 0 3 294.826 2.822 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000876570189 642927309 /nfs/dbraw/zinc/92/73/09/642927309.db2.gz VRQCZWOLKYLAHY-ZWNOBZJWSA-N 0 3 284.762 2.815 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000876568264 642927754 /nfs/dbraw/zinc/92/77/54/642927754.db2.gz HCACUTCMRBMGBF-SYQHCUMBSA-N 0 3 284.831 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(C)C)cc1 ZINC000876586037 642934107 /nfs/dbraw/zinc/93/41/07/642934107.db2.gz CSQPSGUKJCUJPI-AWEZNQCLSA-N 0 3 280.799 2.896 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCCC)cc1 ZINC000876585053 642934157 /nfs/dbraw/zinc/93/41/57/642934157.db2.gz XGPMMXYJNITQHH-AWEZNQCLSA-N 0 3 296.798 2.562 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCC1CCCCC1 ZINC000876594252 642937728 /nfs/dbraw/zinc/93/77/28/642937728.db2.gz MTVLBAXKYLNHDL-ZDUSSCGKSA-N 0 3 272.820 2.933 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCc2ccccc21 ZINC000876603505 642941832 /nfs/dbraw/zinc/94/18/32/642941832.db2.gz UOQPJOJUXOZHBT-ZDUSSCGKSA-N 0 3 278.783 2.826 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccccc1C ZINC000876607895 642942795 /nfs/dbraw/zinc/94/27/95/642942795.db2.gz UBIPWJWFEADVDH-OCCSQVGLSA-N 0 3 280.799 2.512 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](N)CC(=C)Cl ZINC000876619860 642947808 /nfs/dbraw/zinc/94/78/08/642947808.db2.gz DDTQPBFPFGNYBO-HNNXBMFYSA-N 0 3 292.810 2.714 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCC(C)(C)c1ccccc1 ZINC000876619575 642948024 /nfs/dbraw/zinc/94/80/24/642948024.db2.gz BQHRVENLJVXFCI-AWEZNQCLSA-N 0 3 294.826 2.940 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2C)C1 ZINC000876638782 642953773 /nfs/dbraw/zinc/95/37/73/642953773.db2.gz ODZZXUWYDJDGLP-HIFRSBDPSA-N 0 3 292.810 2.781 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H](SCC)C1 ZINC000876658903 642961933 /nfs/dbraw/zinc/96/19/33/642961933.db2.gz JCAIQHYVWQQCDA-RYUDHWBXSA-N 0 3 290.860 2.591 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@](C)(CCC)C1 ZINC000876670842 642966481 /nfs/dbraw/zinc/96/64/81/642966481.db2.gz RNUGBSMPOAZFLS-OCCSQVGLSA-N 0 3 272.820 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCC(C)(C)C ZINC000876673413 642967146 /nfs/dbraw/zinc/96/71/46/642967146.db2.gz MZOWUSLLJOPQOQ-GHMZBOCLSA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCC(C)(C)C ZINC000876673414 642967163 /nfs/dbraw/zinc/96/71/63/642967163.db2.gz MZOWUSLLJOPQOQ-MNOVXSKESA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ncc(C(C)C)s1 ZINC000876679405 642969672 /nfs/dbraw/zinc/96/96/72/642969672.db2.gz GHMSPRHNVMNHNV-MRVPVSSYSA-N 0 3 273.789 2.675 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1CC(C)C ZINC000876679655 642970122 /nfs/dbraw/zinc/97/01/22/642970122.db2.gz HUJKNCONSUNEPS-STQMWFEESA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000876682335 642970275 /nfs/dbraw/zinc/97/02/75/642970275.db2.gz IIAZGTBZVWXRKS-RWMBFGLXSA-N 0 3 270.804 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000876683597 642971395 /nfs/dbraw/zinc/97/13/95/642971395.db2.gz VRMNCDJWPUPWNS-LSDHHAIUSA-N 0 3 294.826 2.936 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000876685711 642972469 /nfs/dbraw/zinc/97/24/69/642972469.db2.gz UPALBYSPHWFRAD-LPWJVIDDSA-N 0 3 270.804 2.541 20 30 CFEDHN C#CCCCCCCN(C)CC(=O)NCc1cccs1 ZINC000876737117 642988257 /nfs/dbraw/zinc/98/82/57/642988257.db2.gz QXGFZJWBIMMYTO-UHFFFAOYSA-N 0 3 292.448 2.880 20 30 CFEDHN CCN(Cc1cccc(C#N)n1)C[C@@H](O)c1ccc(C)cc1 ZINC000876763346 642999733 /nfs/dbraw/zinc/99/97/33/642999733.db2.gz DKERJHTUDJCQBI-GOSISDBHSA-N 0 3 295.386 2.817 20 30 CFEDHN COc1ccc(CNCc2cccs2)cc1C#N ZINC000087822592 650805980 /nfs/dbraw/zinc/80/59/80/650805980.db2.gz ZRRBPBVNUVORJX-UHFFFAOYSA-N 0 3 258.346 2.918 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(F)cccc1NC1CC1 ZINC000876877541 643046340 /nfs/dbraw/zinc/04/63/40/643046340.db2.gz XDPZXSYHLBXBSZ-NSHDSACASA-N 0 3 297.761 2.808 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000876882340 643050113 /nfs/dbraw/zinc/05/01/13/643050113.db2.gz GOUDNUOFMVJXAU-WCQGTBRESA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1C ZINC000876888781 643052820 /nfs/dbraw/zinc/05/28/20/643052820.db2.gz GJJSXBGXHLVDGZ-CYBMUJFWSA-N 0 3 284.762 2.562 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000876901817 643057550 /nfs/dbraw/zinc/05/75/50/643057550.db2.gz IVSPRSWTYQIJNB-ONERCXAPSA-N 0 3 292.810 2.814 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(CCC)cs1 ZINC000876903996 643058535 /nfs/dbraw/zinc/05/85/35/643058535.db2.gz RDXRSPVFQCHOMF-SECBINFHSA-N 0 3 273.789 2.504 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)c(OC)cc1C ZINC000876903627 643059007 /nfs/dbraw/zinc/05/90/07/643059007.db2.gz YVZDOXYQZZKLQQ-JTQLQIEISA-N 0 3 286.734 2.551 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000876935582 643072075 /nfs/dbraw/zinc/07/20/75/643072075.db2.gz CCDSVVXNEDTMGB-UONOGXRCSA-N 0 3 284.831 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000876938931 643073309 /nfs/dbraw/zinc/07/33/09/643073309.db2.gz BVEXHDNVJIGCLF-HIFRSBDPSA-N 0 3 282.815 2.805 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000876957120 643079578 /nfs/dbraw/zinc/07/95/78/643079578.db2.gz URVFDOCYCLZJSD-HUUCEWRRSA-N 0 3 292.810 2.863 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000876960289 643081827 /nfs/dbraw/zinc/08/18/27/643081827.db2.gz BYJRCFHGCSXLJT-YGNMPJRFSA-N 0 3 272.820 2.645 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(F)c1SC ZINC000876959882 643082559 /nfs/dbraw/zinc/08/25/59/643082559.db2.gz YIZSCOMZTSTAQD-SECBINFHSA-N 0 3 288.775 2.956 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC(C2CCC2)CC1 ZINC000876975810 643089599 /nfs/dbraw/zinc/08/95/99/643089599.db2.gz LLFCJCUZVOBPFA-JXQTWKCFSA-N 0 3 284.831 2.931 20 30 CFEDHN C[C@H](CCC#N)CNCc1ccn(-c2ccccc2)n1 ZINC000876984583 643092082 /nfs/dbraw/zinc/09/20/82/643092082.db2.gz JVEXPAMLKMNTMK-CQSZACIVSA-N 0 3 268.364 2.902 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H]1CCCC1(C)C ZINC000876987703 643094448 /nfs/dbraw/zinc/09/44/48/643094448.db2.gz GFRJKTPUDDIOJG-NWDGAFQWSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC000876993414 643097351 /nfs/dbraw/zinc/09/73/51/643097351.db2.gz FRDDSIGANINAIB-IHRRRGAJSA-N 0 3 292.810 2.765 20 30 CFEDHN C#CCSCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000877047792 643119945 /nfs/dbraw/zinc/11/99/45/643119945.db2.gz DIYCZVDCXPWFLW-UHFFFAOYSA-N 0 3 292.354 2.969 20 30 CFEDHN CSCC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877054842 643123136 /nfs/dbraw/zinc/12/31/36/643123136.db2.gz IKTPTBRVKRSFCA-VIFPVBQESA-N 0 3 269.801 2.838 20 30 CFEDHN COC(C)(C)C[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877063822 643129381 /nfs/dbraw/zinc/12/93/81/643129381.db2.gz KQOXMNYCJFDAOB-JTQLQIEISA-N 0 3 281.787 2.900 20 30 CFEDHN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CCCC[C@H]1O ZINC000877081716 643140783 /nfs/dbraw/zinc/14/07/83/643140783.db2.gz QWCYLHIBJYPIEJ-HIFRSBDPSA-N 0 3 293.798 2.637 20 30 CFEDHN CC[C@H](CSC)NCc1cc(C#N)cnc1Cl ZINC000877131308 643168807 /nfs/dbraw/zinc/16/88/07/643168807.db2.gz YTNBFAQEAVFATE-LLVKDONJSA-N 0 3 269.801 2.838 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877139229 643174225 /nfs/dbraw/zinc/17/42/25/643174225.db2.gz ZUNRPRBYTCWRRL-OASPWFOLSA-N 0 3 293.798 2.756 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@H](N)CC(=C)Cl ZINC000877147623 643177478 /nfs/dbraw/zinc/17/74/78/643177478.db2.gz IHBUVHYYZMLIBS-NSHDSACASA-N 0 3 258.793 2.565 20 30 CFEDHN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000088803666 650820641 /nfs/dbraw/zinc/82/06/41/650820641.db2.gz WASDDYCRAMHBMU-CQSZACIVSA-N 0 3 295.298 2.799 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)c1ccc(F)c(C)c1 ZINC000877453527 643276984 /nfs/dbraw/zinc/27/69/84/643276984.db2.gz ATDWRBSXVYPJDX-CQSZACIVSA-N 0 3 277.343 2.508 20 30 CFEDHN CCSCCCNCc1cc(C#N)cnc1Cl ZINC000877498144 643310329 /nfs/dbraw/zinc/31/03/29/643310329.db2.gz MFRDUBDQAIBEJT-UHFFFAOYSA-N 0 3 269.801 2.839 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)cs2)C1 ZINC000877604975 643392079 /nfs/dbraw/zinc/39/20/79/643392079.db2.gz KHHHCFHEFIEWBG-GFCCVEGCSA-N 0 3 277.389 2.770 20 30 CFEDHN C#C[C@@H](NCc1c(C)cccc1OC)C1CCOCC1 ZINC000877637238 643421806 /nfs/dbraw/zinc/42/18/06/643421806.db2.gz GFNNIVZWCLAYRV-MRXNPFEDSA-N 0 3 273.376 2.522 20 30 CFEDHN C#C[C@@H](NCc1ccc(C)cc1F)C1CCOCC1 ZINC000877637682 643423133 /nfs/dbraw/zinc/42/31/33/643423133.db2.gz KRIDRAMZWZGXGC-MRXNPFEDSA-N 0 3 261.340 2.652 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000877645594 643427986 /nfs/dbraw/zinc/42/79/86/643427986.db2.gz POGQYAWVUDNQMT-IBGZPJMESA-N 0 3 292.382 2.854 20 30 CFEDHN C#Cc1ccc(CN2CC(COC)(C3CC3)C2)cc1 ZINC000877686102 643454684 /nfs/dbraw/zinc/45/46/84/643454684.db2.gz KYAIEMLCAJLSPD-UHFFFAOYSA-N 0 3 255.361 2.526 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cc(C3CC3)no1)C2 ZINC000877766844 643545268 /nfs/dbraw/zinc/54/52/68/643545268.db2.gz NNDLAGLWYBMKFK-HNNXBMFYSA-N 0 3 279.343 2.681 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](C(C)(C)O)C2)cc1C#N ZINC000877796269 643562845 /nfs/dbraw/zinc/56/28/45/643562845.db2.gz BQDBMFJQSONLGK-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN COCC(C)(C)CCNCc1cc(C#N)cnc1Cl ZINC000877805065 643567456 /nfs/dbraw/zinc/56/74/56/643567456.db2.gz HNXZFYWVLZRSKU-UHFFFAOYSA-N 0 3 281.787 2.759 20 30 CFEDHN CC[C@@H](NCc1cccc(C#N)n1)[C@H](O)c1ccccc1 ZINC000877832770 643597999 /nfs/dbraw/zinc/59/79/99/643597999.db2.gz QQLMWANVLPQADH-IAGOWNOFSA-N 0 3 281.359 2.555 20 30 CFEDHN C=CC[C@H](C)N(CC)CC(=O)Nc1ccccc1OC ZINC000877912629 643637066 /nfs/dbraw/zinc/63/70/66/643637066.db2.gz ASOISPMLCSIGDH-ZDUSSCGKSA-N 0 3 276.380 2.920 20 30 CFEDHN C=CC[C@@H](C)N(CC)CC(=O)Nc1ccccc1OC ZINC000877912628 643637586 /nfs/dbraw/zinc/63/75/86/643637586.db2.gz ASOISPMLCSIGDH-CYBMUJFWSA-N 0 3 276.380 2.920 20 30 CFEDHN CN(Cc1ccc(N2CCOCC2)cc1)CC1(CC#N)CC1 ZINC000877922017 643642249 /nfs/dbraw/zinc/64/22/49/643642249.db2.gz OBOYJNMBDBCOHW-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN C#CCCCCCN1CCCN(CC(F)(F)F)CC1 ZINC000877958223 643664590 /nfs/dbraw/zinc/66/45/90/643664590.db2.gz JZSGOPZAPNCSST-UHFFFAOYSA-N 0 3 276.346 2.750 20 30 CFEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@H]1C)c1ccccc1 ZINC000878150038 643761159 /nfs/dbraw/zinc/76/11/59/643761159.db2.gz DYLXIFXKSJZLBT-PBHICJAKSA-N 0 3 270.376 2.911 20 30 CFEDHN C#C[C@](C)(CC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000878182500 643781531 /nfs/dbraw/zinc/78/15/31/643781531.db2.gz LPAUIWDDFGDWHE-MRXNPFEDSA-N 0 3 273.380 2.672 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2nccc(C(C)C)n2)CC1 ZINC000878439663 643895692 /nfs/dbraw/zinc/89/56/92/643895692.db2.gz RWZHLCVYNNJLGJ-AWEZNQCLSA-N 0 3 274.412 2.687 20 30 CFEDHN C#CC1CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878763710 644019338 /nfs/dbraw/zinc/01/93/38/644019338.db2.gz MHPOELZIXYPPIT-IBGZPJMESA-N 0 3 294.398 2.772 20 30 CFEDHN C=CC(C)(C)CC(=O)N(CCN(C)C)CC(C)C ZINC000879202952 644171326 /nfs/dbraw/zinc/17/13/26/644171326.db2.gz UOYXLPWMSGWNKD-UHFFFAOYSA-N 0 3 254.418 2.635 20 30 CFEDHN Cc1ccnc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000879432852 644271108 /nfs/dbraw/zinc/27/11/08/644271108.db2.gz JMSMTFBNBAHJCM-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN C#CCCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551749 644314940 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2.557 20 30 CFEDHN N#CC1(CCCCN2CCN(C3CC3)CC2)CCC1 ZINC000929360065 649038324 /nfs/dbraw/zinc/03/83/24/649038324.db2.gz AXQJKSMAZBWZLZ-UHFFFAOYSA-N 0 3 261.413 2.631 20 30 CFEDHN C=CC1CCN(C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000929617788 649080077 /nfs/dbraw/zinc/08/00/77/649080077.db2.gz KJWDMKZBPLLGTR-NEPJUHHUSA-N 0 3 263.303 2.994 20 30 CFEDHN CC(C)(C)N(Cc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929832405 649133514 /nfs/dbraw/zinc/13/35/14/649133514.db2.gz ABZWFFTUMSIEOS-CQSZACIVSA-N 0 3 264.344 2.701 20 30 CFEDHN C[C@@H](NC[C@H](O)CC#N)c1cccc2ccccc21 ZINC000930183114 649200403 /nfs/dbraw/zinc/20/04/03/649200403.db2.gz NTYFHFADIMKWPE-TZMCWYRMSA-N 0 3 254.333 2.765 20 30 CFEDHN N#Cc1cncc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000930299802 649225254 /nfs/dbraw/zinc/22/52/54/649225254.db2.gz JAUVOPJKEKHTPN-KURKYZTESA-N 0 3 299.418 2.859 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](CC)CO ZINC000930460512 649253324 /nfs/dbraw/zinc/25/33/24/649253324.db2.gz PBQRWOQWBJZOCB-OAHLLOKOSA-N 0 3 265.401 2.613 20 30 CFEDHN N#Cc1cccc(OCCN2CCC(c3ncco3)CC2)c1 ZINC000931450742 649430075 /nfs/dbraw/zinc/43/00/75/649430075.db2.gz AEBGAJOREVCLER-UHFFFAOYSA-N 0 3 297.358 2.805 20 30 CFEDHN Cc1nc(C2CCN(Cc3cncc(C#N)c3)CC2)[nH]c1C ZINC000931748146 649483379 /nfs/dbraw/zinc/48/33/79/649483379.db2.gz JQKWVMKVKJVADH-UHFFFAOYSA-N 0 3 295.390 2.673 20 30 CFEDHN Cc1ccc(CN2CCC(c3ccn(C)n3)CC2)cc1C#N ZINC000932141619 649549117 /nfs/dbraw/zinc/54/91/17/649549117.db2.gz ONFCJQUPCWFYKB-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000932140808 649549148 /nfs/dbraw/zinc/54/91/48/649549148.db2.gz JKLSBHNQUGUBBN-QKDCVEJESA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC000932141087 649549538 /nfs/dbraw/zinc/54/95/38/649549538.db2.gz PJPQXTYPSCLQNM-HNNXBMFYSA-N 0 3 286.419 2.865 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000932375935 649587789 /nfs/dbraw/zinc/58/77/89/649587789.db2.gz BCOIFQLVBOSSDJ-ZWKOTPCHSA-N 0 3 293.370 2.728 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000932388882 649591823 /nfs/dbraw/zinc/59/18/23/649591823.db2.gz ZBCLQEPUCYRBJW-AWEZNQCLSA-N 0 3 269.747 2.856 20 30 CFEDHN C#CCN(Cc1cc2ccccc2[nH]c1=O)C(C)C ZINC000932391329 649592402 /nfs/dbraw/zinc/59/24/02/649592402.db2.gz WAEHMMGLEHSZPB-UHFFFAOYSA-N 0 3 254.333 2.784 20 30 CFEDHN CCC1(CC)CNC(=O)[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000933286463 649685005 /nfs/dbraw/zinc/68/50/05/649685005.db2.gz BEXXSZKXFMLXLD-SWLSCSKDSA-N 0 3 285.391 2.514 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2OC)CCC1 ZINC000933303489 649686262 /nfs/dbraw/zinc/68/62/62/649686262.db2.gz VZLBLFPTQHFFRY-ZDUSSCGKSA-N 0 3 286.375 2.558 20 30 CFEDHN C#Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2C)c(Cl)c1 ZINC000933348551 649687813 /nfs/dbraw/zinc/68/78/13/649687813.db2.gz UTZNZWVIAOEHPL-GXFFZTMASA-N 0 3 291.782 2.535 20 30 CFEDHN Cn1cc(CN2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC000933612987 649706690 /nfs/dbraw/zinc/70/66/90/649706690.db2.gz MSZGFTWBBLOLEG-UHFFFAOYSA-N 0 3 280.375 2.671 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933682136 649713629 /nfs/dbraw/zinc/71/36/29/649713629.db2.gz URUCGDJWFWZLKR-HOTGVXAUSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCCCCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933683621 649714180 /nfs/dbraw/zinc/71/41/80/649714180.db2.gz KGISCBVWLDEIQY-CABCVRRESA-N 0 3 253.386 2.613 20 30 CFEDHN CC(C)CC[C@@H](O)CN(C)Cc1cc(C#N)cs1 ZINC000933771794 649720436 /nfs/dbraw/zinc/72/04/36/649720436.db2.gz JAQHAJNBKUJUGK-CYBMUJFWSA-N 0 3 266.410 2.849 20 30 CFEDHN COc1ccccc1N1CCCN([C@@H](C)CCC#N)CC1 ZINC000934178420 649757020 /nfs/dbraw/zinc/75/70/20/649757020.db2.gz ZETCPHKHJLCKPZ-HNNXBMFYSA-N 0 3 287.407 2.900 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCSC[C@H]1C ZINC000934304973 649771115 /nfs/dbraw/zinc/77/11/15/649771115.db2.gz WHLJNJKFSBZIND-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN C=CC[C@@H]1CCN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000934468372 649789815 /nfs/dbraw/zinc/78/98/15/649789815.db2.gz XIRISGRTQPTNFA-GFCCVEGCSA-N 0 3 269.348 2.528 20 30 CFEDHN C=CCCCN(CC)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000934649083 649812316 /nfs/dbraw/zinc/81/23/16/649812316.db2.gz JNXUDUGFHCNIQS-CQSZACIVSA-N 0 3 292.427 2.652 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CSC[C@]2(C)C1 ZINC000934770958 649828971 /nfs/dbraw/zinc/82/89/71/649828971.db2.gz NZVWVAPHHZKJFZ-ZBFHGGJFSA-N 0 3 288.416 2.752 20 30 CFEDHN Cc1ccc(C)c(C2CCN(C[C@H](O)CC#N)CC2)c1 ZINC000934797349 649832844 /nfs/dbraw/zinc/83/28/44/649832844.db2.gz MDGQLNKPCQYHEV-MRXNPFEDSA-N 0 3 272.392 2.757 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cccs2)C1 ZINC001006634846 651128116 /nfs/dbraw/zinc/12/81/16/651128116.db2.gz PEAWRQSHZDQVTO-LBPRGKRZSA-N 0 3 264.394 2.518 20 30 CFEDHN C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001006779166 651129673 /nfs/dbraw/zinc/12/96/73/651129673.db2.gz YSVNJLHCDWPDQK-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001006779166 651129674 /nfs/dbraw/zinc/12/96/74/651129674.db2.gz YSVNJLHCDWPDQK-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC001007388112 651134044 /nfs/dbraw/zinc/13/40/44/651134044.db2.gz QXKGZHBOEARPTM-CQSZACIVSA-N 0 3 290.382 2.904 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001007884961 651140187 /nfs/dbraw/zinc/14/01/87/651140187.db2.gz YAVAGGDMGVRNSN-QGZVFWFLSA-N 0 3 298.430 2.857 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001007887793 651140208 /nfs/dbraw/zinc/14/02/08/651140208.db2.gz CHKSALQLQFAJGW-HNNXBMFYSA-N 0 3 297.402 2.710 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001008355333 651146926 /nfs/dbraw/zinc/14/69/26/651146926.db2.gz HVHSPOKMMBLRRC-KRWDZBQOSA-N 0 3 286.419 2.694 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC001009465868 651160884 /nfs/dbraw/zinc/16/08/84/651160884.db2.gz QPAYDQKHQNPASK-QGZVFWFLSA-N 0 3 286.419 2.694 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001009666164 651163161 /nfs/dbraw/zinc/16/31/61/651163161.db2.gz DGOBOTLUDDDOBT-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001010513168 651177336 /nfs/dbraw/zinc/17/73/36/651177336.db2.gz QKNDFRBLCUMJDS-HNNXBMFYSA-N 0 3 262.397 2.644 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001014829081 651191793 /nfs/dbraw/zinc/19/17/93/651191793.db2.gz ZKGHXILLARJRQR-GFCCVEGCSA-N 0 3 294.345 2.653 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014936521 651194098 /nfs/dbraw/zinc/19/40/98/651194098.db2.gz TZROEAIHDHJRIP-QLFBSQMISA-N 0 3 290.432 2.618 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001015602146 651205631 /nfs/dbraw/zinc/20/56/31/651205631.db2.gz YMWGXYPZWJTVPE-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015669875 651208624 /nfs/dbraw/zinc/20/86/24/651208624.db2.gz HCOPWRVHKJLEAX-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001015740169 651211396 /nfs/dbraw/zinc/21/13/96/651211396.db2.gz PNCFHYGSDDFRRE-HNNXBMFYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811441 651214817 /nfs/dbraw/zinc/21/48/17/651214817.db2.gz GNTLNBVPCWHGRO-STQMWFEESA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015857729 651216300 /nfs/dbraw/zinc/21/63/00/651216300.db2.gz FOQBGYPEIYGUGE-ZFWWWQNUSA-N 0 3 290.407 2.767 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001015888122 651217124 /nfs/dbraw/zinc/21/71/24/651217124.db2.gz VLDMCRGSGBXONG-KRWDZBQOSA-N 0 3 298.430 2.812 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016172826 651227268 /nfs/dbraw/zinc/22/72/68/651227268.db2.gz GDRLRPHLGXPKDV-AWEZNQCLSA-N 0 3 284.359 2.813 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001017463718 651252149 /nfs/dbraw/zinc/25/21/49/651252149.db2.gz GAFLLOSRXSFSOH-STONLHKKSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001017472282 651252658 /nfs/dbraw/zinc/25/26/58/651252658.db2.gz YUDTYNPNTXJTKU-IYBDPMFKSA-N 0 3 274.408 2.738 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(C)C ZINC001018123791 651265368 /nfs/dbraw/zinc/26/53/68/651265368.db2.gz OSSNWFLOHHBQCF-YVSFHVDLSA-N 0 3 290.451 2.920 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001018129856 651265690 /nfs/dbraw/zinc/26/56/90/651265690.db2.gz ZOWZXKXFJSZBOY-UIBIWLFHSA-N 0 3 290.451 2.920 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CC1 ZINC000115901140 651277505 /nfs/dbraw/zinc/27/75/05/651277505.db2.gz ZTOWMEDKXRNARW-GFCCVEGCSA-N 0 3 267.332 2.940 20 30 CFEDHN N#CC1(c2ccc(-c3ccc4c(n3)OCCNC4)cc2)CC1 ZINC001243418915 782189894 /nfs/dbraw/zinc/18/98/94/782189894.db2.gz NEQLIJIPNQQZTL-UHFFFAOYSA-N 0 3 291.354 2.786 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001086001578 782236196 /nfs/dbraw/zinc/23/61/96/782236196.db2.gz KVUIAKVNVRGSMH-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CC(=C)C)CCC1 ZINC001266480615 770198811 /nfs/dbraw/zinc/19/88/11/770198811.db2.gz UUKKFXVWVFMGCD-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN CCC(=CC(=O)NCCNCc1ccc(C#N)s1)CC ZINC001125564901 770829817 /nfs/dbraw/zinc/82/98/17/770829817.db2.gz IMDYVXHUGBXVSQ-UHFFFAOYSA-N 0 3 291.420 2.572 20 30 CFEDHN C=C(Cl)CN[C@H](CNC(=O)CCCC)C(C)C ZINC001268203046 776703256 /nfs/dbraw/zinc/70/32/56/776703256.db2.gz LQCPPGSGPNVVMU-GFCCVEGCSA-N 0 3 260.809 2.660 20 30 CFEDHN CN(Cc1ccc(Br)c(C#N)c1)C1CC1 ZINC001232893813 777712701 /nfs/dbraw/zinc/71/27/01/777712701.db2.gz PIIWTLZAFOOWER-UHFFFAOYSA-N 0 3 265.154 2.915 20 30 CFEDHN CCCCc1ccc(CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129432030 778724886 /nfs/dbraw/zinc/72/48/86/778724886.db2.gz PRVNNFRIRVAZND-INIZCTEOSA-N 0 3 298.386 2.559 20 30 CFEDHN C#CCN1CC[C@@]2(CCCN2Cc2cc(C)cc(C)c2)C1=O ZINC001273006117 780479210 /nfs/dbraw/zinc/47/92/10/780479210.db2.gz PAKXHWODQNBZPT-IBGZPJMESA-N 0 3 296.414 2.504 20 30 CFEDHN C=C1CC(C)(C(=O)N(C)[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001033392977 780670902 /nfs/dbraw/zinc/67/09/02/780670902.db2.gz FPSBVKGYJCRHDW-HNNXBMFYSA-N 0 3 276.424 2.842 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034015970 780855005 /nfs/dbraw/zinc/85/50/05/780855005.db2.gz GMXRPEVXKAXDAS-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001266245906 769824376 /nfs/dbraw/zinc/82/43/76/769824376.db2.gz IDKAYZFQYWOJFT-CABCVRRESA-N 0 3 290.407 2.930 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)C2(CC)CC2)CC1 ZINC001167051362 769849834 /nfs/dbraw/zinc/84/98/34/769849834.db2.gz HWXOUCTVFPATOY-UHFFFAOYSA-N 0 3 284.831 2.805 20 30 CFEDHN CS[C@H](C)CCN1CCN(c2cccc(C#N)c2)CC1 ZINC001208154210 769880593 /nfs/dbraw/zinc/88/05/93/769880593.db2.gz LKGMLAJIAATKNJ-CQSZACIVSA-N 0 3 289.448 2.822 20 30 CFEDHN C=CC(C)(C)C(=O)NCCN(C)CCc1ccccc1F ZINC001266309288 769949201 /nfs/dbraw/zinc/94/92/01/769949201.db2.gz SMFNIVMIOSECOB-UHFFFAOYSA-N 0 3 292.398 2.628 20 30 CFEDHN C#CCCN(C)CCNC(=O)c1ccc(C(C)(C)C)s1 ZINC001266362885 770025776 /nfs/dbraw/zinc/02/57/76/770025776.db2.gz YVJNJUUVYOTOFQ-UHFFFAOYSA-N 0 3 292.448 2.731 20 30 CFEDHN C#CCCCN1CCN(C2(c3ccccc3)CC2)CC1 ZINC001209268028 770027544 /nfs/dbraw/zinc/02/75/44/770027544.db2.gz QCIHLLOSZUVUEH-UHFFFAOYSA-N 0 3 268.404 2.707 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001266380036 770051636 /nfs/dbraw/zinc/05/16/36/770051636.db2.gz PUIUAAWKCVVIBX-HZPDHXFCSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001020905908 770099269 /nfs/dbraw/zinc/09/92/69/770099269.db2.gz BMYXASKFMUSXQW-UBHSHLNASA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1ccc2cc[nH]c2c1 ZINC001167333254 770308003 /nfs/dbraw/zinc/30/80/03/770308003.db2.gz DOJKBDUILKJYOR-UHFFFAOYSA-N 0 3 291.782 2.630 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001266583063 770381182 /nfs/dbraw/zinc/38/11/82/770381182.db2.gz LLZWOXNQCICWTA-RYAZZOMJSA-N 0 3 270.804 2.578 20 30 CFEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001039355523 770537828 /nfs/dbraw/zinc/53/78/28/770537828.db2.gz SNRDGPMLWPGFMA-KGLIPLIRSA-N 0 3 298.377 2.673 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)CC2CCCCC2)C1 ZINC001266740648 770570730 /nfs/dbraw/zinc/57/07/30/770570730.db2.gz WBBRSINQIOINSC-KRWDZBQOSA-N 0 3 290.451 2.808 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)C=C(CC)CC)C1 ZINC001266747443 770572343 /nfs/dbraw/zinc/57/23/43/770572343.db2.gz RTMWVGDUFUREFJ-MRXNPFEDSA-N 0 3 276.424 2.584 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@H](F)CC)C1 ZINC001266758150 770583100 /nfs/dbraw/zinc/58/31/00/770583100.db2.gz OGBWEKXXELSMEP-ZIAGYGMSSA-N 0 3 284.419 2.775 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN(C[C@@H](F)CC)C2)C1 ZINC001266760336 770585581 /nfs/dbraw/zinc/58/55/81/770585581.db2.gz CLOYBMZSLVRHHC-GJZGRUSLSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001266845477 770669399 /nfs/dbraw/zinc/66/93/99/770669399.db2.gz ZWHMOVOSDQATIP-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C=C(CC)CC)C1 ZINC001266891434 770717393 /nfs/dbraw/zinc/71/73/93/770717393.db2.gz JHLAKZWODUNLJP-ZBFHGGJFSA-N 0 3 276.424 2.583 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCc1ncccc1C ZINC001266963563 770772902 /nfs/dbraw/zinc/77/29/02/770772902.db2.gz FWLKESHUODZHMD-HUUCEWRRSA-N 0 3 289.423 2.587 20 30 CFEDHN C=C1CCC(C(=O)NC[C@@H](C)NC[C@H](F)CC)CC1 ZINC001266968740 770777869 /nfs/dbraw/zinc/77/78/69/770777869.db2.gz UXTDZWYDRGHCQS-TZMCWYRMSA-N 0 3 270.392 2.575 20 30 CFEDHN C=C[C@H](C(=O)NC[C@@H](C)NC/C=C\Cl)c1ccccc1 ZINC001266997669 770793516 /nfs/dbraw/zinc/79/35/16/770793516.db2.gz VNAMWONYZGNUBK-FHGUCWBTSA-N 0 3 292.810 2.803 20 30 CFEDHN CC#CCN[C@H](C)CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001266998388 770794965 /nfs/dbraw/zinc/79/49/65/770794965.db2.gz JRLOTNORDMVOHA-OAHLLOKOSA-N 0 3 296.414 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C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC001025611766 775709789 /nfs/dbraw/zinc/70/97/89/775709789.db2.gz PGAUXHNKUGZFAC-AEFFLSMTSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN(C)CCCNC(=O)C1(CC(C)C)CCCC1 ZINC000328116077 775727388 /nfs/dbraw/zinc/72/73/88/775727388.db2.gz PEXZPUOEZBPRRE-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C[C@@H](C#N)CNCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695253616 775748240 /nfs/dbraw/zinc/74/82/40/775748240.db2.gz QPYUZWQGOLSPNG-ZDUSSCGKSA-N 0 3 295.427 2.773 20 30 CFEDHN CC(C)=CC(=O)N[C@@H](C)CCCNCc1ccccc1C#N ZINC001277115642 775764671 /nfs/dbraw/zinc/76/46/71/775764671.db2.gz WUHJCSJIYWUNIF-HNNXBMFYSA-N 0 3 299.418 2.899 20 30 CFEDHN C=C(C)CCC(=O)NCC1CN(Cc2cccc(C)c2)C1 ZINC001267684548 775776251 /nfs/dbraw/zinc/77/62/51/775776251.db2.gz XXNROJIEQCPWRX-UHFFFAOYSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCCCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001267734645 775830355 /nfs/dbraw/zinc/83/03/55/775830355.db2.gz RXHLIXBWTLHMPI-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001267743194 775860966 /nfs/dbraw/zinc/86/09/66/775860966.db2.gz NAQJNPRPVLRGGQ-JKSUJKDBSA-N 0 3 278.440 2.807 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CC[C@@H](C)F)C1 ZINC001267747355 775870760 /nfs/dbraw/zinc/87/07/60/775870760.db2.gz UDBOSMIWTMMJEI-CHWSQXEVSA-N 0 3 270.392 2.527 20 30 CFEDHN N#Cc1cncc(O[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001226685342 775919072 /nfs/dbraw/zinc/91/90/72/775919072.db2.gz YPYYAUXGGUHPCZ-KRWDZBQOSA-N 0 3 293.370 2.997 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C(CC)CC)C1 ZINC001267781468 775925514 /nfs/dbraw/zinc/92/55/14/775925514.db2.gz ILBLPRDKXSQILJ-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001267790355 775931702 /nfs/dbraw/zinc/93/17/02/775931702.db2.gz KRSRDMZAUZKZSD-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267794887 775936649 /nfs/dbraw/zinc/93/66/49/775936649.db2.gz RNHDFTDBIJNEBE-HIFRSBDPSA-N 0 3 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C#CCN[C@H](C)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001280340176 777616607 /nfs/dbraw/zinc/61/66/07/777616607.db2.gz IYTWMHBTHDXTID-CQSZACIVSA-N 0 3 284.403 2.777 20 30 CFEDHN C=CCCCCN(C)Cc1ccnc(C(=O)OC)c1 ZINC001232771992 777660907 /nfs/dbraw/zinc/66/09/07/777660907.db2.gz CPBNHUYTEUXMMK-UHFFFAOYSA-N 0 3 262.353 2.656 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1CC ZINC001087646816 777672718 /nfs/dbraw/zinc/67/27/18/777672718.db2.gz VKTCFXDRMXZLOE-DLBZAZTESA-N 0 3 286.419 2.693 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1CC ZINC001087691656 777679723 /nfs/dbraw/zinc/67/97/23/777679723.db2.gz YJRQKRFRANBDFZ-SOUVJXGZSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1CC ZINC001087713789 777685985 /nfs/dbraw/zinc/68/59/85/777685985.db2.gz JPRALFLOSGYWSN-JKSUJKDBSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029454311 777742289 /nfs/dbraw/zinc/74/22/89/777742289.db2.gz YLIOCQNNXJRDQE-HLLBOEOZSA-N 0 3 276.424 2.674 20 30 CFEDHN CC#CCN1CCC2(CN(C(=O)/C=C\C(C)(C)C)C2)CC1 ZINC001280383319 777812443 /nfs/dbraw/zinc/81/24/43/777812443.db2.gz SFOBOHOVAIEXRQ-FPLPWBNLSA-N 0 3 288.435 2.536 20 30 CFEDHN CC#CCN1CC[C@@H]2CN(C(=O)C(C)(CC)CC)C[C@@H]2C1 ZINC001088206146 777867068 /nfs/dbraw/zinc/86/70/68/777867068.db2.gz FUCORGSGROZSOE-CVEARBPZSA-N 0 3 290.451 2.616 20 30 CFEDHN N#C[C@H]1CCC[N@@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001233294432 777871807 /nfs/dbraw/zinc/87/18/07/777871807.db2.gz KKDFVIWISHPJSK-LBPRGKRZSA-N 0 3 297.358 2.772 20 30 CFEDHN N#C[C@H]1CCC[N@H+](Cc2ccc([O-])c3[nH]c(=O)ccc23)CC1 ZINC001233294432 777871817 /nfs/dbraw/zinc/87/18/17/777871817.db2.gz KKDFVIWISHPJSK-LBPRGKRZSA-N 0 3 297.358 2.772 20 30 CFEDHN N#C[C@H]1CCCN(Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233294432 777871825 /nfs/dbraw/zinc/87/18/25/777871825.db2.gz KKDFVIWISHPJSK-LBPRGKRZSA-N 0 3 297.358 2.772 20 30 CFEDHN CCc1cc(C)c(C#N)c(O[C@H]2CCCN(CC)C2)n1 ZINC001233555022 777989363 /nfs/dbraw/zinc/98/93/63/777989363.db2.gz CZINSQXHJVUOGX-AWEZNQCLSA-N 0 3 273.380 2.687 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2cc[nH]c2)C1 ZINC001088320145 778001150 /nfs/dbraw/zinc/00/11/50/778001150.db2.gz XJEYYVJQIKUMDJ-AWEZNQCLSA-N 0 3 295.814 2.742 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2C)C1 ZINC001098730940 778052933 /nfs/dbraw/zinc/05/29/33/778052933.db2.gz QWEFBGQWRPKLGB-YOEHRIQHSA-N 0 3 288.391 2.748 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001233800019 778080065 /nfs/dbraw/zinc/08/00/65/778080065.db2.gz NEUGFBVIOIBPES-YVVZHDMLSA-N 0 3 290.363 2.507 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001233800019 778080078 /nfs/dbraw/zinc/08/00/78/778080078.db2.gz NEUGFBVIOIBPES-YVVZHDMLSA-N 0 3 290.363 2.507 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2F)[C@H]1C ZINC001088447454 778101831 /nfs/dbraw/zinc/10/18/31/778101831.db2.gz KRGXZABSQHFPPA-DOMZBBRYSA-N 0 3 276.355 2.594 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001233947019 778118973 /nfs/dbraw/zinc/11/89/73/778118973.db2.gz HHCXSXHCKGAEOU-SFHVURJKSA-N 0 3 298.430 2.831 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234038916 778149206 /nfs/dbraw/zinc/14/92/06/778149206.db2.gz GZVUYZHLORVLFI-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)O ZINC001234039674 778149710 /nfs/dbraw/zinc/14/97/10/778149710.db2.gz ODZVRZASPGVFDT-HNNXBMFYSA-N 0 3 298.471 2.651 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccncc1C ZINC001234088661 778162046 /nfs/dbraw/zinc/16/20/46/778162046.db2.gz PGPMPZLJOHUKRF-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234178995 778181626 /nfs/dbraw/zinc/18/16/26/778181626.db2.gz RHRDTRPRTMGDCN-KEGWNNHHSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234255466 778194046 /nfs/dbraw/zinc/19/40/46/778194046.db2.gz NRHHQIRRWUGGMM-HOTGVXAUSA-N 0 3 296.455 2.546 20 30 CFEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127588949 778220690 /nfs/dbraw/zinc/22/06/90/778220690.db2.gz BNCFEVVNXAGWTL-AWEZNQCLSA-N 0 3 282.299 2.858 20 30 CFEDHN C=CC(C)(C)C(=O)N(C)CCN(C)CC=C(C)C ZINC001272080207 778285114 /nfs/dbraw/zinc/28/51/14/778285114.db2.gz JUNIRIJWRAKVGP-UHFFFAOYSA-N 0 3 252.402 2.555 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1CCC ZINC001234509540 778240007 /nfs/dbraw/zinc/24/00/07/778240007.db2.gz MVGFGEJPGWCVAY-LBPRGKRZSA-N 0 3 272.820 2.708 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC[C@@H](C)F ZINC001234537127 778247191 /nfs/dbraw/zinc/24/71/91/778247191.db2.gz KXIROVDVZYVYIF-ZIAGYGMSSA-N 0 3 284.419 2.870 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC[C@@H](C)F ZINC001234537123 778247353 /nfs/dbraw/zinc/24/73/53/778247353.db2.gz KXIROVDVZYVYIF-KGLIPLIRSA-N 0 3 284.419 2.870 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001088559187 778247739 /nfs/dbraw/zinc/24/77/39/778247739.db2.gz AKNICRRHMAZRCS-RISCZKNCSA-N 0 3 278.421 2.825 20 30 CFEDHN CC(C)(CC(=O)NCCNCc1ccc(C#N)cc1)C1CC1 ZINC001126720706 778249126 /nfs/dbraw/zinc/24/91/26/778249126.db2.gz CAVNZVLYTDXKGO-UHFFFAOYSA-N 0 3 299.418 2.590 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CC[C@H](C)F ZINC001234614980 778266569 /nfs/dbraw/zinc/26/65/69/778266569.db2.gz WRGDUZXXRQAWST-KBPBESRZSA-N 0 3 270.392 2.624 20 30 CFEDHN CCN1CCC[C@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234854204 778311877 /nfs/dbraw/zinc/31/18/77/778311877.db2.gz GEEFHWUWCFLCOD-ZDUSSCGKSA-N 0 3 281.359 2.970 20 30 CFEDHN CN1CCC[C@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234855282 778312311 /nfs/dbraw/zinc/31/23/11/778312311.db2.gz SFKGYMYPQDKKCS-LBPRGKRZSA-N 0 3 267.332 2.579 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cc(C)cc(C)c1 ZINC001272097452 778342170 /nfs/dbraw/zinc/34/21/70/778342170.db2.gz AKASNNRPUFKMJL-UHFFFAOYSA-N 0 3 288.435 2.812 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1c(C)cccc1Cl ZINC001272097500 778343086 /nfs/dbraw/zinc/34/30/86/778343086.db2.gz BPBWDDXTSBMCIK-UHFFFAOYSA-N 0 3 292.810 2.676 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC001088627353 778371032 /nfs/dbraw/zinc/37/10/32/778371032.db2.gz KXEMOOBJNIBAAS-ZBFHGGJFSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)[C@H]1C ZINC001088664710 778379986 /nfs/dbraw/zinc/37/99/86/778379986.db2.gz FMZXYRSYNIQVOL-JLSDUUJJSA-N 0 3 298.430 2.872 20 30 CFEDHN CCCC[C@@H](CC)CN1CCC12CN(CCC#N)C2 ZINC001277936585 778454300 /nfs/dbraw/zinc/45/43/00/778454300.db2.gz LVABCEKYXPXSNH-OAHLLOKOSA-N 0 3 263.429 2.877 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)n(CC)c2C)[C@H]1C ZINC001088716263 778454523 /nfs/dbraw/zinc/45/45/23/778454523.db2.gz GDXKCNTXGPAQKR-ZBFHGGJFSA-N 0 3 289.423 2.503 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ncc(Cl)s2)[C@H]1C ZINC001088745045 778463132 /nfs/dbraw/zinc/46/31/32/778463132.db2.gz HZBGVTKWQNKHSM-ZJUUUORDSA-N 0 3 299.827 2.565 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC001088776405 778486678 /nfs/dbraw/zinc/48/66/78/778486678.db2.gz RVZZEXUOJLDFHS-ZBFHGGJFSA-N 0 3 288.435 2.559 20 30 CFEDHN N#CCCCCN1CC2(C1)CN(CCCC(F)(F)F)C2 ZINC001277947914 778502432 /nfs/dbraw/zinc/50/24/32/778502432.db2.gz AHUUOKWTVGVJBE-UHFFFAOYSA-N 0 3 289.345 2.640 20 30 CFEDHN Cc1ncn(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001235555155 778518084 /nfs/dbraw/zinc/51/80/84/778518084.db2.gz ITTNKLZUPVYYNZ-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001076299787 778582292 /nfs/dbraw/zinc/58/22/92/778582292.db2.gz LXUUOGLARQTXTR-RYQLBKOJSA-N 0 3 298.430 2.817 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001076470895 778589872 /nfs/dbraw/zinc/58/98/72/778589872.db2.gz KTBOLJSQVSADAM-RYQLBKOJSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001076472713 778591569 /nfs/dbraw/zinc/59/15/69/778591569.db2.gz RIKAZIVXRMPTBM-RYQLBKOJSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001076598216 778597876 /nfs/dbraw/zinc/59/78/76/778597876.db2.gz RSRGBADWMVPCPA-RCCFBDPRSA-N 0 3 296.414 2.675 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC001088839436 778691266 /nfs/dbraw/zinc/69/12/66/778691266.db2.gz LPPXOARXSOPEJH-PWSUYJOCSA-N 0 3 282.771 2.702 20 30 CFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000129875026 778871092 /nfs/dbraw/zinc/87/10/92/778871092.db2.gz XBNCHVNQTDSJCF-OLZOCXBDSA-N 0 3 298.342 2.699 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC001088876624 778930828 /nfs/dbraw/zinc/93/08/28/778930828.db2.gz XFPCBXKZGSOTSU-CABCVRRESA-N 0 3 272.392 2.682 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC001088884450 778935021 /nfs/dbraw/zinc/93/50/21/778935021.db2.gz VLHZDVIHOLBCGB-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088960753 778961796 /nfs/dbraw/zinc/96/17/96/778961796.db2.gz ATWKZTJQFYIERF-ILXRZTDVSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017502 778974291 /nfs/dbraw/zinc/97/42/91/778974291.db2.gz IAIJRNYPYBVOOV-ZBFHGGJFSA-N 0 3 272.392 2.682 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1C ZINC001089024274 778976512 /nfs/dbraw/zinc/97/65/12/778976512.db2.gz RZJAKFSGBVUPPK-ABAIWWIYSA-N 0 3 294.345 2.734 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC001089043268 778980391 /nfs/dbraw/zinc/98/03/91/778980391.db2.gz TVTLSSVYQJFTNH-CABCVRRESA-N 0 3 289.423 2.838 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001278026629 778981496 /nfs/dbraw/zinc/98/14/96/778981496.db2.gz YIDXTXUPWMQVIG-AWEZNQCLSA-N 0 3 298.386 2.815 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1C ZINC001089055074 778982788 /nfs/dbraw/zinc/98/27/88/778982788.db2.gz UTDGGKALKYOTOO-INMHGKMJSA-N 0 3 286.419 2.864 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@H]1C ZINC001089051103 778983477 /nfs/dbraw/zinc/98/34/77/778983477.db2.gz AUOVWYNPCGNQRR-ZENOOKHLSA-N 0 3 290.382 2.694 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089066320 778985359 /nfs/dbraw/zinc/98/53/59/778985359.db2.gz AOZGHKKYWIRJJF-ILXRZTDVSA-N 0 3 278.440 2.968 20 30 CFEDHN CCCCCCCN1CCNC[C@H]1C(F)(F)F ZINC001236974845 778987483 /nfs/dbraw/zinc/98/74/83/778987483.db2.gz GEGYKDNVVCFGAM-NSHDSACASA-N 0 3 252.324 2.793 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001278064538 779041384 /nfs/dbraw/zinc/04/13/84/779041384.db2.gz QZBWXUXXIKYVTL-INIZCTEOSA-N 0 3 288.435 2.727 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@@H]12 ZINC000992237885 779055061 /nfs/dbraw/zinc/05/50/61/779055061.db2.gz BGFSEAQCPXRSIT-KONPQCLYSA-N 0 3 290.451 2.968 20 30 CFEDHN CC1(C)OCCC12CCN(Cc1ccnc(C#N)c1)CC2 ZINC001237465142 779114163 /nfs/dbraw/zinc/11/41/63/779114163.db2.gz YMOVYTVHDTYRQS-UHFFFAOYSA-N 0 3 285.391 2.734 20 30 CFEDHN Cn1cc(CN2CC[C@@H]3CCO[C@H]3C2)c2cc(C#N)ccc21 ZINC001237468338 779114701 /nfs/dbraw/zinc/11/47/01/779114701.db2.gz MFBDLRZVAPMIQD-KDOFPFPSSA-N 0 3 295.386 2.661 20 30 CFEDHN Cn1cc(CN2CCC3(COC3)CC2)c2cc(C#N)ccc21 ZINC001237466637 779114951 /nfs/dbraw/zinc/11/49/51/779114951.db2.gz NUQLICKQUKSKJB-UHFFFAOYSA-N 0 3 295.386 2.662 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)Cc1cccs1 ZINC001121889946 779124076 /nfs/dbraw/zinc/12/40/76/779124076.db2.gz XVSBMIYBGOMWLB-JSGCOSHPSA-N 0 3 280.437 2.727 20 30 CFEDHN C[C@@H]1C[C@H](C)CN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606086 779140662 /nfs/dbraw/zinc/14/06/62/779140662.db2.gz ITGHBJZYHZAYRI-BETUJISGSA-N 0 3 268.364 2.684 20 30 CFEDHN N#Cc1ccc2nc(CN3CCCCCCC3)cn2c1 ZINC001237613876 779142740 /nfs/dbraw/zinc/14/27/40/779142740.db2.gz JZCCIRRTFUPGJR-UHFFFAOYSA-N 0 3 268.364 2.972 20 30 CFEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130196555 779145931 /nfs/dbraw/zinc/14/59/31/779145931.db2.gz XFRDAPZBMUKUIE-VIFPVBQESA-N 0 3 282.702 2.782 20 30 CFEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046333260 779146708 /nfs/dbraw/zinc/14/67/08/779146708.db2.gz XAMHTXSODILRFL-HDMKZQKVSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CC1CCN(Cc2ccnc(OC(F)F)c2)CC1 ZINC001237622794 779147152 /nfs/dbraw/zinc/14/71/52/779147152.db2.gz UVHYIJSTIVATGL-UHFFFAOYSA-N 0 3 266.291 2.528 20 30 CFEDHN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(CC)s2)C1 ZINC001046465047 779192471 /nfs/dbraw/zinc/19/24/71/779192471.db2.gz WADRCKUWHLWSRK-MRXNPFEDSA-N 0 3 290.432 2.528 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001046563119 779215796 /nfs/dbraw/zinc/21/57/96/779215796.db2.gz IFVBMNPRBPHBGN-MRXNPFEDSA-N 0 3 275.396 2.518 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000176530937 779217994 /nfs/dbraw/zinc/21/79/94/779217994.db2.gz FGTGXTMQIULIIL-ZDUSSCGKSA-N 0 3 256.305 2.690 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000176536042 779218932 /nfs/dbraw/zinc/21/89/32/779218932.db2.gz QTDWJJUVGHQANA-CQSZACIVSA-N 0 3 286.331 2.699 20 30 CFEDHN C=CCN(C)C[C@H]1CCCN1C(=O)C1CCCCC1 ZINC001281921660 779223055 /nfs/dbraw/zinc/22/30/55/779223055.db2.gz ZJCZPJCRJKRQPS-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C#Cc1cccc(NC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000176547544 779227392 /nfs/dbraw/zinc/22/73/92/779227392.db2.gz YCVLHLULPJWCGG-UHFFFAOYSA-N 0 3 287.407 2.719 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cccc(N3CCCCC3)n2)C1 ZINC001238001663 779228681 /nfs/dbraw/zinc/22/86/81/779228681.db2.gz AHZMXHLVKXNQQM-MRXNPFEDSA-N 0 3 283.419 2.917 20 30 CFEDHN CCCN1CC2(C[C@@H]2C(=O)Nc2cc(C)ccc2C#N)C1 ZINC001278186474 779249486 /nfs/dbraw/zinc/24/94/86/779249486.db2.gz JOOAUTBNMSYHCB-CQSZACIVSA-N 0 3 283.375 2.537 20 30 CFEDHN CCCN1CC2(C[C@H]2C(=O)Nc2cc(C)ccc2C#N)C1 ZINC001278186473 779249554 /nfs/dbraw/zinc/24/95/54/779249554.db2.gz JOOAUTBNMSYHCB-AWEZNQCLSA-N 0 3 283.375 2.537 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1COC[C@@H]1CC ZINC000699532267 779289355 /nfs/dbraw/zinc/28/93/55/779289355.db2.gz DGERAGSDQUNSMK-DZGCQCFKSA-N 0 3 261.365 2.766 20 30 CFEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046789270 779372796 /nfs/dbraw/zinc/37/27/96/779372796.db2.gz LLCYHDOHHFAPEF-JFIYKMOQSA-N 0 3 290.451 2.807 20 30 CFEDHN CC[C@H](C)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001272658606 779416732 /nfs/dbraw/zinc/41/67/32/779416732.db2.gz ZWYUSGPLVUGKLE-UONOGXRCSA-N 0 3 287.407 2.589 20 30 CFEDHN CC[C@@H](C)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001272658605 779416920 /nfs/dbraw/zinc/41/69/20/779416920.db2.gz ZWYUSGPLVUGKLE-KGLIPLIRSA-N 0 3 287.407 2.589 20 30 CFEDHN CCCCCCC[C@H](C)NC(=O)N[C@@H]1CCNC[C@@H]1F ZINC001239204673 779469074 /nfs/dbraw/zinc/46/90/74/779469074.db2.gz JJTKNLNBOFOSJC-MELADBBJSA-N 0 3 287.423 2.735 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2sccc2Cl)C1 ZINC001031692071 779530973 /nfs/dbraw/zinc/53/09/73/779530973.db2.gz GCMFJYNPXYVPFN-UHFFFAOYSA-N 0 3 284.812 2.639 20 30 CFEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1 ZINC001089608758 779543757 /nfs/dbraw/zinc/54/37/57/779543757.db2.gz ACDRATQEFARJSN-OAHLLOKOSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001089672598 779560694 /nfs/dbraw/zinc/56/06/94/779560694.db2.gz MUZCBFLRRCWNHB-IIDMSEBBSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089698923 779571782 /nfs/dbraw/zinc/57/17/82/779571782.db2.gz FLUSZBKHBXVBNF-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCCCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107372667 779839118 /nfs/dbraw/zinc/83/91/18/779839118.db2.gz NQCHYRDVSNZVAF-NVXWUHKLSA-N 0 3 294.414 2.510 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107561020 779858152 /nfs/dbraw/zinc/85/81/52/779858152.db2.gz AEEDTKVETMIRLB-RHSMWYFYSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032350602 779884374 /nfs/dbraw/zinc/88/43/74/779884374.db2.gz OUSIHBCXSNJWOY-HOTGVXAUSA-N 0 3 274.408 2.738 20 30 CFEDHN C=CCCC(=O)NC[C@]1(C)CN(CC(CC)CC)CCO1 ZINC001107802581 779901456 /nfs/dbraw/zinc/90/14/56/779901456.db2.gz UXYFTVZJRRMZCV-QGZVFWFLSA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)(C)C1 ZINC001032385927 779915662 /nfs/dbraw/zinc/91/56/62/779915662.db2.gz LOZAZPOHXAFBGH-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC=CCCC1 ZINC001032472100 779962385 /nfs/dbraw/zinc/96/23/85/779962385.db2.gz GITLVLNLAUKPQW-IKGGRYGDSA-N 0 3 288.435 2.984 20 30 CFEDHN C#CCN1CCC2(CN(C(=O)[C@@H](C)C(CC)CC)C2)CC1 ZINC001272805734 780014248 /nfs/dbraw/zinc/01/42/48/780014248.db2.gz VQQPLNYPYNNXTJ-HNNXBMFYSA-N 0 3 290.451 2.616 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C ZINC001032559133 780034505 /nfs/dbraw/zinc/03/45/05/780034505.db2.gz UPZKVNPROUMCKB-KBPBESRZSA-N 0 3 264.413 2.530 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](C)CC ZINC001032562246 780037104 /nfs/dbraw/zinc/03/71/04/780037104.db2.gz OIRXOWYJLKUUBC-RDBSUJKOSA-N 0 3 264.413 2.530 20 30 CFEDHN C[C@@H](O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000140217950 780109009 /nfs/dbraw/zinc/10/90/09/780109009.db2.gz PLFKSHQENVGUSK-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032661745 780122789 /nfs/dbraw/zinc/12/27/89/780122789.db2.gz FDXQOVQLOPCXNF-KKUMJFAQSA-N 0 3 264.413 2.530 20 30 CFEDHN C[C@@]1(C(=O)NCCNCc2ccc(C#N)cc2)CC=CCC1 ZINC001128113786 780190752 /nfs/dbraw/zinc/19/07/52/780190752.db2.gz NJPUSFLWDBAILX-GOSISDBHSA-N 0 3 297.402 2.510 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001002099056 780335067 /nfs/dbraw/zinc/33/50/67/780335067.db2.gz QZKIFQWQDUKPIK-UHFFFAOYSA-N 0 3 298.430 2.714 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccc(F)cc1 ZINC001128190773 780357795 /nfs/dbraw/zinc/35/77/95/780357795.db2.gz XQCHIWIZMKOOBE-UHFFFAOYSA-N 0 3 298.789 2.810 20 30 CFEDHN C#CC[C@@H](NCc1ccnc(N)c1)c1ccccc1 ZINC001168724451 780529869 /nfs/dbraw/zinc/52/98/69/780529869.db2.gz WPOVKNXYXZDHAB-OAHLLOKOSA-N 0 3 251.333 2.518 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(F)c2C)C1 ZINC001033113579 780569817 /nfs/dbraw/zinc/56/98/17/780569817.db2.gz XHCAPXITRXZVKK-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033238556 780626013 /nfs/dbraw/zinc/62/60/13/780626013.db2.gz QWDISCMMORFSHC-AWEZNQCLSA-N 0 3 290.432 2.535 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292667 780641431 /nfs/dbraw/zinc/64/14/31/780641431.db2.gz TZIJQNYMGGLAAZ-YVSFHVDLSA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033301644 780644244 /nfs/dbraw/zinc/64/42/44/780644244.db2.gz TUZSOYQGTSUDTN-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033365807 780666218 /nfs/dbraw/zinc/66/62/18/780666218.db2.gz KIGKXGCCBKWJFQ-CQSZACIVSA-N 0 3 287.407 2.615 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033383402 780672126 /nfs/dbraw/zinc/67/21/26/780672126.db2.gz LVJRIHXCSIDSSP-YMAMQOFZSA-N 0 3 282.403 2.624 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2C)C1 ZINC001033383204 780672764 /nfs/dbraw/zinc/67/27/64/780672764.db2.gz IEXLGWIPIWWUHI-QGZVFWFLSA-N 0 3 286.419 2.565 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033432755 780678451 /nfs/dbraw/zinc/67/84/51/780678451.db2.gz IZNVWULTDUSZLG-BZUAXINKSA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033432756 780678608 /nfs/dbraw/zinc/67/86/08/780678608.db2.gz IZNVWULTDUSZLG-OWCLPIDISA-N 0 3 278.440 2.777 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033474914 780694037 /nfs/dbraw/zinc/69/40/37/780694037.db2.gz KVXFHQGGBISRSI-LLVKDONJSA-N 0 3 296.823 2.571 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033576201 780716771 /nfs/dbraw/zinc/71/67/71/780716771.db2.gz UZXJUFUHTORGCB-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033576202 780716836 /nfs/dbraw/zinc/71/68/36/780716836.db2.gz UZXJUFUHTORGCB-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033599082 780721133 /nfs/dbraw/zinc/72/11/33/780721133.db2.gz KQRWAMHQBZQHMS-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033638515 780739144 /nfs/dbraw/zinc/73/91/44/780739144.db2.gz KQIJAAKXWGHZOE-QGZVFWFLSA-N 0 3 298.430 2.827 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2coc3ccccc32)C1 ZINC001033711036 780758564 /nfs/dbraw/zinc/75/85/64/780758564.db2.gz QUAKUHKTQMUTCK-AWEZNQCLSA-N 0 3 296.370 2.602 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033785744 780786160 /nfs/dbraw/zinc/78/61/60/780786160.db2.gz MNPBRRJWYFMEDW-AWEZNQCLSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033924563 780824386 /nfs/dbraw/zinc/82/43/86/780824386.db2.gz DQKYTXLTDKHVTR-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033951670 780835716 /nfs/dbraw/zinc/83/57/16/780835716.db2.gz KUBGPIFJGNHJQW-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033970492 780842969 /nfs/dbraw/zinc/84/29/69/780842969.db2.gz XWWCZOZJCVPMMG-SFHVURJKSA-N 0 3 296.414 2.889 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CC[C@@H]1SC ZINC000701945054 780853608 /nfs/dbraw/zinc/85/36/08/780853608.db2.gz OLGLQUFFGGPUSV-HIFRSBDPSA-N 0 3 261.390 2.682 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034079100 780879985 /nfs/dbraw/zinc/87/99/85/780879985.db2.gz BZWWRLRIHFCNDO-INIZCTEOSA-N 0 3 272.392 2.847 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001034079262 780880726 /nfs/dbraw/zinc/88/07/26/780880726.db2.gz CRPXVEUXLRJCHA-HNNXBMFYSA-N 0 3 276.355 2.596 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034089718 780885548 /nfs/dbraw/zinc/88/55/48/780885548.db2.gz IOLKGFKUMXSYPW-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110563 780896053 /nfs/dbraw/zinc/89/60/53/780896053.db2.gz OINCVHLBVIQAOG-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110563 780896062 /nfs/dbraw/zinc/89/60/62/780896062.db2.gz OINCVHLBVIQAOG-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001034156467 780904801 /nfs/dbraw/zinc/90/48/01/780904801.db2.gz ALSCDZLWCPZEGK-CAOSSQGBSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cnccc2C)C1 ZINC001034147660 780908521 /nfs/dbraw/zinc/90/85/21/780908521.db2.gz YGWFPEBCRFBXGP-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034167073 780913043 /nfs/dbraw/zinc/91/30/43/780913043.db2.gz ZLLYLOIKLHNFCV-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034167779 780913113 /nfs/dbraw/zinc/91/31/13/780913113.db2.gz OJNSRJLAPDAQCH-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001034231160 780927264 /nfs/dbraw/zinc/92/72/64/780927264.db2.gz LHRXLQJQLXCHHW-LBPRGKRZSA-N 0 3 287.363 2.531 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034265357 780935676 /nfs/dbraw/zinc/93/56/76/780935676.db2.gz KDWKKEMYKIUYOD-ZBFHGGJFSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034271930 780936902 /nfs/dbraw/zinc/93/69/02/780936902.db2.gz KDVODODWQGVVOK-HUUCEWRRSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034318716 780946341 /nfs/dbraw/zinc/94/63/41/780946341.db2.gz FAKDPBHZVRQBOD-JYJNAYRXSA-N 0 3 276.424 2.579 20 30 CFEDHN N#Cc1ncc(C2=CCN(Cc3ccccc3)CC2)cn1 ZINC001241504325 780946957 /nfs/dbraw/zinc/94/69/57/780946957.db2.gz RSNLICDMKAXWMU-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034343226 780952357 /nfs/dbraw/zinc/95/23/57/780952357.db2.gz PISGULPCMNPWNW-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034374194 780956560 /nfs/dbraw/zinc/95/65/60/780956560.db2.gz WTJZLLZMEBXZPN-AWEZNQCLSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034395486 780965102 /nfs/dbraw/zinc/96/51/02/780965102.db2.gz XAJQFYCNGLSRMM-LSDHHAIUSA-N 0 3 290.407 2.930 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034425648 780968134 /nfs/dbraw/zinc/96/81/34/780968134.db2.gz WPHYFAYUEUZGJN-INIZCTEOSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001034415061 780971577 /nfs/dbraw/zinc/97/15/77/780971577.db2.gz GXPCTYJDODRZSE-SFHVURJKSA-N 0 3 298.430 2.558 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001034519372 780992854 /nfs/dbraw/zinc/99/28/54/780992854.db2.gz IWASJLJQPPGJHC-SFHVURJKSA-N 0 3 298.430 2.946 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC001035638006 781153544 /nfs/dbraw/zinc/15/35/44/781153544.db2.gz HQJMVTRGUJIUSL-UHFFFAOYSA-N 0 3 288.435 2.514 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]13C[C@H]1CCC3)CC2 ZINC001035753025 781162670 /nfs/dbraw/zinc/16/26/70/781162670.db2.gz JHJMAWYDHSYPTB-CRAIPNDOSA-N 0 3 288.435 2.677 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(CC)CC)CC2 ZINC001035855610 781179275 /nfs/dbraw/zinc/17/92/75/781179275.db2.gz QHAPCCQIVMZEKG-UHFFFAOYSA-N 0 3 290.451 2.760 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000709471913 781311704 /nfs/dbraw/zinc/31/17/04/781311704.db2.gz MWIFWDLIHJAHTN-SECBINFHSA-N 0 3 299.346 2.961 20 30 CFEDHN C#CCNC1(CNC(=O)c2ccc(Cl)c(C)c2)CCC1 ZINC001280502339 781463101 /nfs/dbraw/zinc/46/31/01/781463101.db2.gz LJWGGYMCMMAEFP-UHFFFAOYSA-N 0 3 290.794 2.524 20 30 CFEDHN C#CCNC1(CNC(=O)c2oc3ccccc3c2C)CCC1 ZINC001273194354 781564565 /nfs/dbraw/zinc/56/45/65/781564565.db2.gz FXVQNJSMIWWIOF-UHFFFAOYSA-N 0 3 296.370 2.617 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001079381411 781592087 /nfs/dbraw/zinc/59/20/87/781592087.db2.gz DXADNEADQJSOSC-GDBMZVCRSA-N 0 3 272.392 2.621 20 30 CFEDHN CC#CCNC1(CNC(=O)CCCCCC)CCC1 ZINC001273196140 781595667 /nfs/dbraw/zinc/59/56/67/781595667.db2.gz XTXCUWDLGZPAJR-UHFFFAOYSA-N 0 3 264.413 2.609 20 30 CFEDHN Cc1ccc(-c2cncc(CN(C)C)c2)c(C#N)c1 ZINC001242592920 781625320 /nfs/dbraw/zinc/62/53/20/781625320.db2.gz CZIPQAZRLXSZOC-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001079963559 781629231 /nfs/dbraw/zinc/62/92/31/781629231.db2.gz ISGIKETUZIQGJB-ZTFGCOKTSA-N 0 3 298.430 2.729 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001080269863 781643184 /nfs/dbraw/zinc/64/31/84/781643184.db2.gz LAPPWFCLBYVYSG-OWCLPIDISA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001080355901 781653069 /nfs/dbraw/zinc/65/30/69/781653069.db2.gz APFITJAFGVAALY-RHSMWYFYSA-N 0 3 286.419 2.875 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001080643619 781673368 /nfs/dbraw/zinc/67/33/68/781673368.db2.gz GBXROXQGXAQUQC-UWWQBHOKSA-N 0 3 298.430 2.729 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001080725070 781675428 /nfs/dbraw/zinc/67/54/28/781675428.db2.gz AZNVTFZQXYSQNF-QLFBSQMISA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001080875046 781681929 /nfs/dbraw/zinc/68/19/29/781681929.db2.gz JYSZVSICCNQULH-IUODEOHRSA-N 0 3 292.810 2.505 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080984303 781690001 /nfs/dbraw/zinc/69/00/01/781690001.db2.gz OOIUFJBROKHSGV-CXAGYDPISA-N 0 3 284.403 2.800 20 30 CFEDHN C[NH+]1CCC(n2cc(-c3cccc(/C=N/[O-])c3)cn2)CC1 ZINC001242729721 781727372 /nfs/dbraw/zinc/72/73/72/781727372.db2.gz OTHBULRRFKPWQY-VCHYOVAHSA-N 0 3 284.363 2.625 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2CCC)CC1 ZINC001119057380 781745671 /nfs/dbraw/zinc/74/56/71/781745671.db2.gz IYHALWNAQVHSTL-JYJNAYRXSA-N 0 3 276.424 2.559 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001084713518 781826127 /nfs/dbraw/zinc/82/61/27/781826127.db2.gz HPPCBCOAHZSHBU-YYIAUSFCSA-N 0 3 288.435 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758594 781829699 /nfs/dbraw/zinc/82/96/99/781829699.db2.gz UJGUZMKOSBPNLG-BZUAXINKSA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@@H]21 ZINC001084954159 781866991 /nfs/dbraw/zinc/86/69/91/781866991.db2.gz QROBWVYHSDBAFY-MCIONIFRSA-N 0 3 298.377 2.531 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)COCCC ZINC001098954088 781916196 /nfs/dbraw/zinc/91/61/96/781916196.db2.gz YPZOOULGCBONAD-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN C[C@H](Cc1ccccn1)NCc1cc(C#N)cs1 ZINC000594517186 349438772 /nfs/dbraw/zinc/43/87/72/349438772.db2.gz HNYUJIQYDLUHOZ-LLVKDONJSA-N 0 3 257.362 2.736 20 30 CFEDHN COCc1ccc(CN2CCC(CCC#N)CC2)o1 ZINC000573325178 334927851 /nfs/dbraw/zinc/92/78/51/334927851.db2.gz YXGYUAQWDDPWDC-UHFFFAOYSA-N 0 3 262.353 2.942 20 30 CFEDHN N#Cc1cc2c(nc1N[C@@H]1CCCN3CCCC[C@@H]13)CCC2 ZINC000594597974 349456028 /nfs/dbraw/zinc/45/60/28/349456028.db2.gz FPJMLKUUTVTWCX-SJORKVTESA-N 0 3 296.418 2.871 20 30 CFEDHN Cc1ccnc(N[C@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594601243 349457724 /nfs/dbraw/zinc/45/77/24/349457724.db2.gz MUNCNPNPYHCVNH-LSDHHAIUSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1c(N[C@H]2CCCN3CCCC[C@H]23)nc2ccccn12 ZINC000594603294 349459216 /nfs/dbraw/zinc/45/92/16/349459216.db2.gz SYZHXSXQSKOZSC-UONOGXRCSA-N 0 3 295.390 2.635 20 30 CFEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)NC(C)(C)C ZINC000594918824 349506692 /nfs/dbraw/zinc/50/66/92/349506692.db2.gz SUTOGRPWWBKELZ-ZDUSSCGKSA-N 0 3 299.418 2.635 20 30 CFEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000124587345 187144701 /nfs/dbraw/zinc/14/47/01/187144701.db2.gz ZJXGMQKDSDBBSC-DOMZBBRYSA-N 0 3 271.364 2.760 20 30 CFEDHN C#CCCN(C)Cc1cc(Br)cs1 ZINC000082493907 178059522 /nfs/dbraw/zinc/05/95/22/178059522.db2.gz PXRHUXCFXGTTKG-UHFFFAOYSA-N 0 3 258.184 2.966 20 30 CFEDHN Cc1c(Br)cncc1CNCC1(CC#N)CC1 ZINC000594936953 349518220 /nfs/dbraw/zinc/51/82/20/349518220.db2.gz NGUAKYFNEUHZBA-UHFFFAOYSA-N 0 3 294.196 2.936 20 30 CFEDHN C[C@H]1C[C@@H](CCNCc2ccc(C#N)cc2F)CCO1 ZINC000273046385 192029451 /nfs/dbraw/zinc/02/94/51/192029451.db2.gz JROIVTJWPMCAON-STQMWFEESA-N 0 3 276.355 2.992 20 30 CFEDHN CC(=O)NCc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000594954021 349527102 /nfs/dbraw/zinc/52/71/02/349527102.db2.gz WEEFFBYLSQOROY-UHFFFAOYSA-N 0 3 299.399 2.546 20 30 CFEDHN N#Cc1ccc(CCNCc2nc3c(s2)CCC3)cc1 ZINC000594954102 349527273 /nfs/dbraw/zinc/52/72/73/349527273.db2.gz APSKPJFDSMYGRL-UHFFFAOYSA-N 0 3 283.400 2.836 20 30 CFEDHN C=CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594967634 349534289 /nfs/dbraw/zinc/53/42/89/349534289.db2.gz FYLGNVKWBFLAPG-UHFFFAOYSA-N 0 3 272.251 2.862 20 30 CFEDHN C=CCOCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000594975345 349536727 /nfs/dbraw/zinc/53/67/27/349536727.db2.gz SLSBLYWPSDSIAL-UHFFFAOYSA-N 0 3 284.743 2.931 20 30 CFEDHN Cn1cc(CCNCc2nc(C#N)cs2)c2ccccc21 ZINC000594985731 349538736 /nfs/dbraw/zinc/53/87/36/349538736.db2.gz OAWWJPRNJWGHFE-UHFFFAOYSA-N 0 3 296.399 2.839 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H]3C[C@@H](O)C34CCC4)cc2)CC1 ZINC000594990514 349541333 /nfs/dbraw/zinc/54/13/33/349541333.db2.gz ZNPDLPDXNUJESQ-HZPDHXFCSA-N 0 3 282.387 2.635 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)cc1)C1CCCC1 ZINC000594993443 349541404 /nfs/dbraw/zinc/54/14/04/349541404.db2.gz GLIWFLHFRGHRDV-MRXNPFEDSA-N 0 3 258.365 2.853 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)o1)C1CCCCC1 ZINC000594997686 349543268 /nfs/dbraw/zinc/54/32/68/349543268.db2.gz PVLVQDFUQXJEHM-OAHLLOKOSA-N 0 3 262.353 2.836 20 30 CFEDHN N#CCc1ccc(CN[C@H]2COC3(CCC3)C2)cc1 ZINC000595043981 349561730 /nfs/dbraw/zinc/56/17/30/349561730.db2.gz HTQBHPGWVMROLM-OAHLLOKOSA-N 0 3 256.349 2.554 20 30 CFEDHN CC1(C)C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CO1 ZINC000595049813 349565005 /nfs/dbraw/zinc/56/50/05/349565005.db2.gz PAMVFMASHXGUSO-DZGCQCFKSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)s2)CCO[C@@H]1C1CC1 ZINC000273087576 192039263 /nfs/dbraw/zinc/03/92/63/192039263.db2.gz KGDPJRZADKBMDI-ZIAGYGMSSA-N 0 3 262.378 2.667 20 30 CFEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000595056308 349568599 /nfs/dbraw/zinc/56/85/99/349568599.db2.gz UVMDTXQQLOUSCU-HNNXBMFYSA-N 0 3 268.364 2.575 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cccc(C#N)c1 ZINC000595060404 349570436 /nfs/dbraw/zinc/57/04/36/349570436.db2.gz LRNRCDLMRGSZFZ-WJBZZZKMSA-N 0 3 290.432 2.899 20 30 CFEDHN C[C@H](CCn1cccn1)NCC1(C#N)CCCCC1 ZINC000595090159 349577274 /nfs/dbraw/zinc/57/72/74/349577274.db2.gz DLVACHROKTWGTJ-CQSZACIVSA-N 0 3 260.385 2.725 20 30 CFEDHN C[C@@H](NCC1(C#N)CCCCC1)C1CCOCC1 ZINC000595091071 349578282 /nfs/dbraw/zinc/57/82/82/349578282.db2.gz MYQDRXSSKLDPGQ-CYBMUJFWSA-N 0 3 250.386 2.865 20 30 CFEDHN C=CCCSCCNC(=O)Nc1cccc(CNC)c1 ZINC000595236712 349586576 /nfs/dbraw/zinc/58/65/76/349586576.db2.gz MARVHGZHAAQHIH-UHFFFAOYSA-N 0 3 293.436 2.837 20 30 CFEDHN CC1(C)CCN(C(=O)[C@H](N)CCCC#N)CC(C)(C)C1 ZINC000595256883 349588238 /nfs/dbraw/zinc/58/82/38/349588238.db2.gz XADHIKAWCIKJNN-CYBMUJFWSA-N 0 3 279.428 2.682 20 30 CFEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1F ZINC000595254929 349588518 /nfs/dbraw/zinc/58/85/18/349588518.db2.gz DLINSLZSWJPWQQ-LSDHHAIUSA-N 0 3 291.370 2.660 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@H](N)CCCCC#N ZINC000595258857 349589176 /nfs/dbraw/zinc/58/91/76/349589176.db2.gz FIDIAAJUDJCVKC-BFHYXJOUSA-N 0 3 265.401 2.577 20 30 CFEDHN N#Cc1ccc(N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)nc1 ZINC000595295632 349594932 /nfs/dbraw/zinc/59/49/32/349594932.db2.gz NOJHALFCTSQQSV-HYVNUMGLSA-N 0 3 296.418 2.511 20 30 CFEDHN CN(CCC(=O)OC(C)(C)C)CCc1ccc(C#N)cc1 ZINC000595346074 349607329 /nfs/dbraw/zinc/60/73/29/349607329.db2.gz UVHBCHFONOJYNZ-UHFFFAOYSA-N 0 3 288.391 2.764 20 30 CFEDHN COc1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1C#N ZINC000273098874 192042512 /nfs/dbraw/zinc/04/25/12/192042512.db2.gz VHIKLCGDXQTZFE-IRXDYDNUSA-N 0 3 286.375 2.614 20 30 CFEDHN CC1(C#N)CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595430178 349624209 /nfs/dbraw/zinc/62/42/09/349624209.db2.gz LNSOQOBKKASXHA-UHFFFAOYSA-N 0 3 253.349 2.726 20 30 CFEDHN CN(CCN(C)C1CC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595446644 349628819 /nfs/dbraw/zinc/62/88/19/349628819.db2.gz SBUQYUPZBCROLV-HNNXBMFYSA-N 0 3 277.799 2.931 20 30 CFEDHN CC[C@H](Cn1cncn1)N[C@H](CCC#N)c1ccccc1 ZINC000353249552 529435622 /nfs/dbraw/zinc/43/56/22/529435622.db2.gz DNDGIBWTLRPHJZ-HZPDHXFCSA-N 0 3 283.379 2.691 20 30 CFEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000595492060 349641774 /nfs/dbraw/zinc/64/17/74/349641774.db2.gz ZULVXEQFCIECMY-IRXDYDNUSA-N 0 3 284.403 2.990 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3ccccn3)C2)C1 ZINC000595500836 349643534 /nfs/dbraw/zinc/64/35/34/349643534.db2.gz FSGUPPUDQIVPQX-QLFBSQMISA-N 0 3 255.365 2.953 20 30 CFEDHN N#Cc1ccc(CCN[C@@H](CCO)c2ccccc2F)cc1 ZINC000595557185 349658830 /nfs/dbraw/zinc/65/88/30/349658830.db2.gz IIXKDOPKVONEKX-SFHVURJKSA-N 0 3 298.361 2.953 20 30 CFEDHN CC[C@@H](C)n1ncc(C(=O)NCC2=CCN(C)CC2)c1C ZINC000330140664 529439511 /nfs/dbraw/zinc/43/95/11/529439511.db2.gz JGWYAMOCRZKNTO-GFCCVEGCSA-N 0 3 290.411 2.729 20 30 CFEDHN CC[C@@H]1COC(C)(C)CN1CCc1ccc(C#N)cc1 ZINC000595559705 349659746 /nfs/dbraw/zinc/65/97/46/349659746.db2.gz UWIXWYCEJMBUKJ-MRXNPFEDSA-N 0 3 272.392 2.990 20 30 CFEDHN N#Cc1cc(CN(C2CC2)C2(CO)CCC2)ccc1F ZINC000595533084 349652315 /nfs/dbraw/zinc/65/23/15/349652315.db2.gz FSKKBSGKGXQAGV-UHFFFAOYSA-N 0 3 274.339 2.577 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595613456 349676129 /nfs/dbraw/zinc/67/61/29/349676129.db2.gz DLNLQLGAAZCRFJ-HNNXBMFYSA-N 0 3 296.374 2.513 20 30 CFEDHN N#CC[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000595615181 349677238 /nfs/dbraw/zinc/67/72/38/349677238.db2.gz KIAKWOUBQBYBMU-HNNXBMFYSA-N 0 3 283.375 2.953 20 30 CFEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414206874 529472759 /nfs/dbraw/zinc/47/27/59/529472759.db2.gz KAGRZEBDTRRJLA-VQISRLSMSA-N 0 3 262.328 2.915 20 30 CFEDHN CCC(C)(C)[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000595638079 349684854 /nfs/dbraw/zinc/68/48/54/349684854.db2.gz BRESAJBABXWPOT-LBPRGKRZSA-N 0 3 273.380 2.911 20 30 CFEDHN CC(C)OC(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595636556 349685161 /nfs/dbraw/zinc/68/51/61/349685161.db2.gz QLIXNMKZOWSPMI-UHFFFAOYSA-N 0 3 274.364 2.725 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000595619652 349679523 /nfs/dbraw/zinc/67/95/23/349679523.db2.gz FBRXZCYNPHCSFE-OAHLLOKOSA-N 0 3 280.375 2.998 20 30 CFEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)ccc1C#N ZINC000595623488 349680774 /nfs/dbraw/zinc/68/07/74/349680774.db2.gz RKBCRXQRSQDPOC-CQSZACIVSA-N 0 3 253.349 2.992 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595623194 349680855 /nfs/dbraw/zinc/68/08/55/349680855.db2.gz JLTPHGYLIRVUTI-VYDXJSESSA-N 0 3 272.392 2.777 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000595622450 349680898 /nfs/dbraw/zinc/68/08/98/349680898.db2.gz ATIBVBDVDRTVOE-BBRMVZONSA-N 0 3 292.810 2.869 20 30 CFEDHN CC(C)(NCCO[C@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000595632640 349683949 /nfs/dbraw/zinc/68/39/49/349683949.db2.gz HZWAHHHONNSEFS-ZDUSSCGKSA-N 0 3 280.318 2.807 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)cn2)C1 ZINC000595658989 349692171 /nfs/dbraw/zinc/69/21/71/349692171.db2.gz LLBYVISCGVWKED-CYBMUJFWSA-N 0 3 274.364 2.656 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000595678202 349698220 /nfs/dbraw/zinc/69/82/20/349698220.db2.gz RJKKONOGQILMOX-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN CC(C)(C)OCCNCc1ccc(C#N)c(F)c1 ZINC000404187460 290028562 /nfs/dbraw/zinc/02/85/62/290028562.db2.gz CLIQNVGSKKYUGV-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN CCc1ccc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)cc1 ZINC000350641445 529579960 /nfs/dbraw/zinc/57/99/60/529579960.db2.gz IAXJIIYOTMHXPB-GHMZBOCLSA-N 0 3 298.346 2.636 20 30 CFEDHN COc1ccc2c(c1)CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000595758717 349725567 /nfs/dbraw/zinc/72/55/67/349725567.db2.gz DYCOAYPWGQBDPB-SWLSCSKDSA-N 0 3 256.349 2.746 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2COC[C@]2(C)C1 ZINC000595757981 349725660 /nfs/dbraw/zinc/72/56/60/349725660.db2.gz LQEBJLGFDBTUAM-WQVCFCJDSA-N 0 3 256.349 2.588 20 30 CFEDHN C=CCN(CC(=O)NC(=O)Nc1ccccc1)C(C)(C)C ZINC000595764782 349727207 /nfs/dbraw/zinc/72/72/07/349727207.db2.gz CTUQITKIKGWCLT-UHFFFAOYSA-N 0 3 289.379 2.621 20 30 CFEDHN COc1cccc([C@]2(C)CCN(CCOCCC#N)C2)c1 ZINC000595770544 349728564 /nfs/dbraw/zinc/72/85/64/349728564.db2.gz XYOBZVQOPAXEQH-QGZVFWFLSA-N 0 3 288.391 2.589 20 30 CFEDHN CCC(CC)CCCN(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000595832764 349746606 /nfs/dbraw/zinc/74/66/06/349746606.db2.gz QJMWTGQHHCOGAC-KRWDZBQOSA-N 0 3 293.455 2.943 20 30 CFEDHN CC(C)CC1(N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000595835049 349747464 /nfs/dbraw/zinc/74/74/64/349747464.db2.gz RHIYNHXNWPNSGP-HIFRSBDPSA-N 0 3 279.428 2.598 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000595841843 349751336 /nfs/dbraw/zinc/75/13/36/349751336.db2.gz OVYFEEOLJXVHLE-MPTYRVRUSA-N 0 3 289.423 2.612 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000595841840 349751621 /nfs/dbraw/zinc/75/16/21/349751621.db2.gz OVYFEEOLJXVHLE-AIANPOQGSA-N 0 3 289.423 2.612 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(CN2CC[C@@](C)(C#N)C2)CC1 ZINC000595843863 349752940 /nfs/dbraw/zinc/75/29/40/349752940.db2.gz OCAYTFZWVLCZMC-KRWDZBQOSA-N 0 3 291.439 2.507 20 30 CFEDHN N#CC1(NC(=O)CN2CCCC[C@@H]2CC2CCC2)CCC1 ZINC000595871315 349758890 /nfs/dbraw/zinc/75/88/90/349758890.db2.gz OIDUBECQXKORTN-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976364 346919068 /nfs/dbraw/zinc/91/90/68/346919068.db2.gz CHLKRUZYACWROL-HNNXBMFYSA-N 0 3 274.364 2.677 20 30 CFEDHN N#CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976364 346919071 /nfs/dbraw/zinc/91/90/71/346919071.db2.gz CHLKRUZYACWROL-HNNXBMFYSA-N 0 3 274.364 2.677 20 30 CFEDHN CC#CCN(C)C1CCN(c2cccc(F)c2)CC1 ZINC000072826340 346942559 /nfs/dbraw/zinc/94/25/59/346942559.db2.gz MSTAJYXAHCFYTN-UHFFFAOYSA-N 0 3 260.356 2.750 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@@](C)(COC)C2)cc1 ZINC000295020587 199304791 /nfs/dbraw/zinc/30/47/91/199304791.db2.gz CFTRJVNNOWRRNM-GOSISDBHSA-N 0 3 287.403 2.947 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NCc1ccc(C#N)o1 ZINC000295029006 199308738 /nfs/dbraw/zinc/30/87/38/199308738.db2.gz DANDZCSONRNTOU-AWEZNQCLSA-N 0 3 275.396 2.751 20 30 CFEDHN Cc1cc(N2CCN(C)C3(CCCCC3)C2)c(C#N)cn1 ZINC000596251132 349841175 /nfs/dbraw/zinc/84/11/75/349841175.db2.gz OKYAOUHOMAHUJF-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@H]1O ZINC000352692747 529823169 /nfs/dbraw/zinc/82/31/69/529823169.db2.gz GRQBVOWSKYBSOL-LSDHHAIUSA-N 0 3 263.768 2.537 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@@H]1CCC[C@@H]1O ZINC000352696733 529823476 /nfs/dbraw/zinc/82/34/76/529823476.db2.gz KGLUQIUTVSJMGU-CABCVRRESA-N 0 3 263.768 2.537 20 30 CFEDHN CCN1CCCN(c2ccc(Cl)c(C#N)n2)[C@@H](C)C1 ZINC000596268018 349848013 /nfs/dbraw/zinc/84/80/13/349848013.db2.gz BPBBMUXOXIUJEW-NSHDSACASA-N 0 3 278.787 2.527 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000596306853 349857857 /nfs/dbraw/zinc/85/78/57/349857857.db2.gz ISRONDTVGIFQPN-ZDUSSCGKSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000273174178 192065987 /nfs/dbraw/zinc/06/59/87/192065987.db2.gz FQAULGSPYHGEFK-QGZVFWFLSA-N 0 3 297.402 2.825 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000074286983 347006920 /nfs/dbraw/zinc/00/69/20/347006920.db2.gz DJVJENHRQCKIPS-CVEARBPZSA-N 0 3 258.365 2.684 20 30 CFEDHN C=C(C)COc1cc(CN(C)CCOC)ccc1OC ZINC000127179832 187287053 /nfs/dbraw/zinc/28/70/53/187287053.db2.gz XHRQLXKPLFDKRI-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN CC(C(=O)N(CC#N)c1ccccc1)C(F)(F)F ZINC000074725247 347028902 /nfs/dbraw/zinc/02/89/02/347028902.db2.gz STMUCWDGFMFAQP-SECBINFHSA-N 0 3 256.227 2.742 20 30 CFEDHN CN(CC1CN(C)C1)c1ccc(C(F)(F)F)cc1C#N ZINC000596452872 349907212 /nfs/dbraw/zinc/90/72/12/349907212.db2.gz HGXGYWNHOXVPBM-UHFFFAOYSA-N 0 3 283.297 2.575 20 30 CFEDHN CN(CC1CN(C)C1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000596454204 349907308 /nfs/dbraw/zinc/90/73/08/349907308.db2.gz PPFGORRLIBYTDL-UHFFFAOYSA-N 0 3 283.297 2.575 20 30 CFEDHN Cc1cc([C@H]2CCCN2CCCSCC#N)on1 ZINC000074981869 347046315 /nfs/dbraw/zinc/04/63/15/347046315.db2.gz XRKGCXGYPCOAFG-GFCCVEGCSA-N 0 3 265.382 2.767 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNc1ncc(C#N)cc1F ZINC000413269233 530051582 /nfs/dbraw/zinc/05/15/82/530051582.db2.gz PJFXSJSPYLFFLU-ZDUSSCGKSA-N 0 3 276.359 2.625 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)Nc1ncc(C#N)cc1F ZINC000596489868 349918175 /nfs/dbraw/zinc/91/81/75/349918175.db2.gz XBXUVUQUQDELEC-LBPRGKRZSA-N 0 3 276.359 2.625 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC000668370395 539430336 /nfs/dbraw/zinc/43/03/36/539430336.db2.gz WQKZZODTGPMKBB-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000295106079 199348672 /nfs/dbraw/zinc/34/86/72/199348672.db2.gz WQVNLWWWQOGBHU-OAHLLOKOSA-N 0 3 274.408 2.615 20 30 CFEDHN CN(C)CCN(Cc1cc(C#N)cs1)C1CCCC1 ZINC000154620670 232226800 /nfs/dbraw/zinc/22/68/00/232226800.db2.gz FWJCRYKSHHKCMJ-UHFFFAOYSA-N 0 3 277.437 2.926 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000677048511 539532547 /nfs/dbraw/zinc/53/25/47/539532547.db2.gz ZQEHFCRTUMZISF-OAHLLOKOSA-N 0 3 290.451 2.949 20 30 CFEDHN CCC[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000273279921 192098349 /nfs/dbraw/zinc/09/83/49/192098349.db2.gz GPUTYMLSUFMMDH-QGZVFWFLSA-N 0 3 299.418 2.829 20 30 CFEDHN COc1cc(CN2CCC(CF)CC2)ccc1C#N ZINC000295138269 199367039 /nfs/dbraw/zinc/36/70/39/199367039.db2.gz ZERHOAFVDZPSCH-UHFFFAOYSA-N 0 3 262.328 2.748 20 30 CFEDHN C=CCOc1ccccc1CNCCc1cccnc1 ZINC000037502632 346330618 /nfs/dbraw/zinc/33/06/18/346330618.db2.gz VHQDKJUGIOPSJW-UHFFFAOYSA-N 0 3 268.360 2.979 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](CC)C1 ZINC000042145644 346361402 /nfs/dbraw/zinc/36/14/02/346361402.db2.gz GCGIHQGDWXDYFZ-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCCC)C1CC1 ZINC000046092958 346421000 /nfs/dbraw/zinc/42/10/00/346421000.db2.gz HQVGLRWHFRFZTK-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C[C@@H](CNC(=O)c1cccc(CC#N)c1)N1CCCC[C@H]1C ZINC000049749448 346485610 /nfs/dbraw/zinc/48/56/10/346485610.db2.gz DQXPRFAXRBYFQA-CABCVRRESA-N 0 3 299.418 2.745 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc(CC)c2)CC1 ZINC000050024927 346489283 /nfs/dbraw/zinc/48/92/83/346489283.db2.gz DAFVYRUMXWIGNI-UHFFFAOYSA-N 0 3 270.376 2.533 20 30 CFEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000052795433 346528499 /nfs/dbraw/zinc/52/84/99/346528499.db2.gz OZORLRBBESNITR-AWEZNQCLSA-N 0 3 272.392 2.589 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCOC1 ZINC000054272558 346563871 /nfs/dbraw/zinc/56/38/71/346563871.db2.gz JUFKAEFRNILJSD-OAHLLOKOSA-N 0 3 261.365 2.720 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCC)CC1CC1 ZINC000052890838 346532407 /nfs/dbraw/zinc/53/24/07/346532407.db2.gz VMPWXHGJVKQUQM-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN N#Cc1c(Cl)cccc1N[C@@H]1CCN(C2CC2)C1 ZINC000052904605 346532746 /nfs/dbraw/zinc/53/27/46/346532746.db2.gz RSKWLXFJHXNAHU-SNVBAGLBSA-N 0 3 261.756 2.860 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)CN(C)C1CCC1 ZINC000075841076 347102204 /nfs/dbraw/zinc/10/22/04/347102204.db2.gz RJSOWDHZDPMRQC-UHFFFAOYSA-N 0 3 278.421 2.747 20 30 CFEDHN C=C(C)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172289 346583584 /nfs/dbraw/zinc/58/35/84/346583584.db2.gz USOWKILNZLXTCR-UHFFFAOYSA-N 0 3 269.392 2.642 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1nccc(OC)n1)C(C)C ZINC000058648578 346647268 /nfs/dbraw/zinc/64/72/68/346647268.db2.gz ZTEQNQZKFKFBNP-AWEZNQCLSA-N 0 3 290.411 2.596 20 30 CFEDHN CCCN1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000060330216 346661959 /nfs/dbraw/zinc/66/19/59/346661959.db2.gz DKDQEMSOFODYLR-UHFFFAOYSA-N 0 3 286.379 2.508 20 30 CFEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCCC[C@@H]1C ZINC000057388189 346625602 /nfs/dbraw/zinc/62/56/02/346625602.db2.gz WLZAKBWDIUYYMU-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000060851264 346672073 /nfs/dbraw/zinc/67/20/73/346672073.db2.gz JARDCZDLHHPWQM-AWEZNQCLSA-N 0 3 294.358 2.803 20 30 CFEDHN C=C(C)CN(CC)C(=O)c1ccccc1OCCN(C)C ZINC000064370499 346719113 /nfs/dbraw/zinc/71/91/13/346719113.db2.gz IJTGFEFDEDCKNZ-UHFFFAOYSA-N 0 3 290.407 2.665 20 30 CFEDHN C=CCCCN(C)C[C@H](O)c1c(F)cccc1F ZINC000076736453 347151076 /nfs/dbraw/zinc/15/10/76/347151076.db2.gz VLMPWTRUZRTWQR-ZDUSSCGKSA-N 0 3 255.308 2.896 20 30 CFEDHN CC1CCN(CCNc2c(C#N)nnc3ccccc32)CC1 ZINC000076324248 347133913 /nfs/dbraw/zinc/13/39/13/347133913.db2.gz QMPSHNSGFXICDD-UHFFFAOYSA-N 0 3 295.390 2.645 20 30 CFEDHN C=CCN1CCC(Nc2ncc(Cl)cc2F)CC1 ZINC000079299316 347296797 /nfs/dbraw/zinc/29/67/97/347296797.db2.gz AVTNJJPNUMFHFI-UHFFFAOYSA-N 0 3 269.751 2.936 20 30 CFEDHN CCN1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078834408 347276409 /nfs/dbraw/zinc/27/64/09/347276409.db2.gz CMXBWNLMDVUBCQ-NSHDSACASA-N 0 3 298.312 2.868 20 30 CFEDHN C=CCN1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088720979 347507884 /nfs/dbraw/zinc/50/78/84/347507884.db2.gz LXOCOVXCHWQXCQ-UHFFFAOYSA-N 0 3 275.352 2.966 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(Cc2cccnc2)CC1 ZINC000089268650 347514509 /nfs/dbraw/zinc/51/45/09/347514509.db2.gz ADDXEGNKBPFZPT-MRXNPFEDSA-N 0 3 273.424 2.944 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000111693251 347756193 /nfs/dbraw/zinc/75/61/93/347756193.db2.gz ANEMSRBDLHNEAF-HNNXBMFYSA-N 0 3 286.419 2.632 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000120174753 347805991 /nfs/dbraw/zinc/80/59/91/347805991.db2.gz ABIRKABOORVMPQ-QGZVFWFLSA-N 0 3 286.419 2.901 20 30 CFEDHN Cc1oc(NC(=O)CN[C@H](C)C(C)(C)C)c(C#N)c1C ZINC000121532511 347812163 /nfs/dbraw/zinc/81/21/63/347812163.db2.gz JISBVSFLXAJVFG-LLVKDONJSA-N 0 3 277.368 2.731 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@H](C)C(C)(C)C)c(C#N)c1C ZINC000121532511 347812166 /nfs/dbraw/zinc/81/21/66/347812166.db2.gz JISBVSFLXAJVFG-LLVKDONJSA-N 0 3 277.368 2.731 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000129839401 347864877 /nfs/dbraw/zinc/86/48/77/347864877.db2.gz GATUQSGWSMQWAS-SWLSCSKDSA-N 0 3 272.396 2.711 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@H](C)C#N)CC3 ZINC000133040307 347889155 /nfs/dbraw/zinc/88/91/55/347889155.db2.gz JMSNTVUJHWCNAS-VXGBXAGGSA-N 0 3 283.375 2.783 20 30 CFEDHN C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)CCN1C ZINC000157953809 348004466 /nfs/dbraw/zinc/00/44/66/348004466.db2.gz DZPXMPGNVDZFQM-WFASDCNBSA-N 0 3 284.407 2.727 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C2CCC2)CC1 ZINC000124654166 539601905 /nfs/dbraw/zinc/60/19/05/539601905.db2.gz AIDCFYBCUZUSFY-CYBMUJFWSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CC)CC2)CC1 ZINC000172336141 348091200 /nfs/dbraw/zinc/09/12/00/348091200.db2.gz JTCIRWJWZBZNJO-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)C(C)C)CC1 ZINC000172385396 348092547 /nfs/dbraw/zinc/09/25/47/348092547.db2.gz YWFZIQUUSVVJGD-CQSZACIVSA-N 0 3 281.444 2.618 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)C1(C#N)CCCCC1 ZINC000186310282 348129984 /nfs/dbraw/zinc/12/99/84/348129984.db2.gz NFMKYAHKLNIFMT-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H]2COC[C@@]2(C)C1 ZINC000668594822 539605054 /nfs/dbraw/zinc/60/50/54/539605054.db2.gz HIVPSBMSMZNTPG-DOTOQJQBSA-N 0 3 273.376 2.720 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC000245772492 348257809 /nfs/dbraw/zinc/25/78/09/348257809.db2.gz SCIHGGFRRFLDQN-FUHWJXTLSA-N 0 3 285.387 2.700 20 30 CFEDHN CCN1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC000250196772 348286134 /nfs/dbraw/zinc/28/61/34/348286134.db2.gz AZBIDSHUIPLKFT-CYBMUJFWSA-N 0 3 280.375 2.637 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OC)c(OC)c1Cl ZINC000320824396 348437253 /nfs/dbraw/zinc/43/72/53/348437253.db2.gz YUWYZDPTSRBPAD-LBPRGKRZSA-N 0 3 299.798 2.774 20 30 CFEDHN CC(C#N)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000335998911 348450425 /nfs/dbraw/zinc/45/04/25/348450425.db2.gz BPCMDHVFTDEBKR-GFCCVEGCSA-N 0 3 279.343 2.943 20 30 CFEDHN C=CCN(CC=C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000341552252 348457025 /nfs/dbraw/zinc/45/70/25/348457025.db2.gz DTVMVIBCPQRGTM-GJZGRUSLSA-N 0 3 279.428 2.633 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1C(C)C ZINC000354481115 348501279 /nfs/dbraw/zinc/50/12/79/348501279.db2.gz XTLSVEFRDBOQAB-CQSZACIVSA-N 0 3 282.347 2.966 20 30 CFEDHN C=CCCC1(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000354592509 348501714 /nfs/dbraw/zinc/50/17/14/348501714.db2.gz DEZUBMLAIJJFPU-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCCOC2)O1 ZINC000366482545 348512666 /nfs/dbraw/zinc/51/26/66/348512666.db2.gz HOYWAVYMZRWWPZ-ZBFHGGJFSA-N 0 3 280.412 2.586 20 30 CFEDHN COc1ccc(CCN2CCC[C@H](CC#N)C2)cc1 ZINC000397801801 348564342 /nfs/dbraw/zinc/56/43/42/348564342.db2.gz GDJNFMWEFZZWSI-OAHLLOKOSA-N 0 3 258.365 2.863 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)CCN(C)c1ccncc1 ZINC000543712999 348653200 /nfs/dbraw/zinc/65/32/00/348653200.db2.gz XKHHBQMLWNQJBI-AWEZNQCLSA-N 0 3 275.396 2.769 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000491429920 348628050 /nfs/dbraw/zinc/62/80/50/348628050.db2.gz WLPAFZDQCDPTNJ-RHSMWYFYSA-N 0 3 284.403 2.524 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1cccc(C)c1C ZINC000491781905 348630565 /nfs/dbraw/zinc/63/05/65/348630565.db2.gz LKEVCCJYIFBFCZ-UHFFFAOYSA-N 0 3 289.448 2.545 20 30 CFEDHN CCCCCCCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000584650075 348702071 /nfs/dbraw/zinc/70/20/71/348702071.db2.gz SJDMPLAFXXSRLA-CQSZACIVSA-N 0 3 269.433 2.692 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000588206909 348779838 /nfs/dbraw/zinc/77/98/38/348779838.db2.gz YEQDVPLNXXMXMN-GOSISDBHSA-N 0 3 293.370 2.915 20 30 CFEDHN C[C@@H](CNC(=O)CCCCCC#N)N1CCC(C)CC1 ZINC000588326802 348784637 /nfs/dbraw/zinc/78/46/37/348784637.db2.gz ZFEIENKYMHMYLQ-HNNXBMFYSA-N 0 3 279.428 2.697 20 30 CFEDHN CN(CCCN(C)Cc1ccnc(C#N)c1)Cc1ccco1 ZINC000586788293 348752007 /nfs/dbraw/zinc/75/20/07/348752007.db2.gz WLVUDCITTAHZOI-UHFFFAOYSA-N 0 3 298.390 2.500 20 30 CFEDHN CO[C@@H](C)CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586787046 348752453 /nfs/dbraw/zinc/75/24/53/348752453.db2.gz AVLZBKMNRCIRDH-ZDUSSCGKSA-N 0 3 260.381 2.954 20 30 CFEDHN CC[C@](C)(C#N)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000589136899 348813027 /nfs/dbraw/zinc/81/30/27/348813027.db2.gz NUILYMAKDLHBFV-UKAJUAJCSA-N 0 3 274.368 2.601 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(C)(C)O ZINC000589504026 348836919 /nfs/dbraw/zinc/83/69/19/348836919.db2.gz PQUVSDAHYZOAEB-VIFPVBQESA-N 0 3 286.297 2.826 20 30 CFEDHN Cc1nccc([C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000590154586 348879737 /nfs/dbraw/zinc/87/97/37/348879737.db2.gz KQGQPLCHABQURQ-RBSFLKMASA-N 0 3 270.380 2.657 20 30 CFEDHN Cc1nccc([C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000590154584 348879955 /nfs/dbraw/zinc/87/99/55/348879955.db2.gz KQGQPLCHABQURQ-KFWWJZLASA-N 0 3 270.380 2.657 20 30 CFEDHN CCN1C[C@H](CN(C)[C@H]2CC[C@@H](C#N)C2)Oc2ccccc21 ZINC000590154520 348880074 /nfs/dbraw/zinc/88/00/74/348880074.db2.gz KPQPONRGGISVFG-PMPSAXMXSA-N 0 3 299.418 2.898 20 30 CFEDHN CC[C@H]1c2ccccc2CCN1CCOCCC#N ZINC000590161678 348880561 /nfs/dbraw/zinc/88/05/61/348880561.db2.gz JVCVCLMQJNLCSZ-INIZCTEOSA-N 0 3 258.365 2.926 20 30 CFEDHN C=CCOCCN[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000590172854 348882927 /nfs/dbraw/zinc/88/29/27/348882927.db2.gz WMKSHMGFMSIXEU-HNNXBMFYSA-N 0 3 291.391 2.719 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000590173206 348883199 /nfs/dbraw/zinc/88/31/99/348883199.db2.gz PKNKGUJYCBQLCV-IVMMDQJWSA-N 0 3 274.339 2.971 20 30 CFEDHN C[C@@H](NC(C)(C)CNC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590216076 348885460 /nfs/dbraw/zinc/88/54/60/348885460.db2.gz AFFNSJKEODPWIY-CQSZACIVSA-N 0 3 299.418 2.926 20 30 CFEDHN Cc1ccc(NC(=O)CC2(C#N)CC2)c(CN(C)C)c1 ZINC000590252395 348886957 /nfs/dbraw/zinc/88/69/57/348886957.db2.gz VFUZKSCWLSOTDF-UHFFFAOYSA-N 0 3 271.364 2.689 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590779338 348948226 /nfs/dbraw/zinc/94/82/26/348948226.db2.gz LLFRZXRAIXBOPU-ZACQAIPSSA-N 0 3 268.360 2.869 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)[C@@H](C)O1 ZINC000590746511 348941225 /nfs/dbraw/zinc/94/12/25/348941225.db2.gz GDRXHADJBUALBR-XYPYXGAPSA-N 0 3 256.349 2.701 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000590762782 348944627 /nfs/dbraw/zinc/94/46/27/348944627.db2.gz YRPLDMGYTGTMSW-UONOGXRCSA-N 0 3 298.308 2.612 20 30 CFEDHN CCc1ccc2nccc(NC3CCN(CC#N)CC3)c2c1 ZINC000590689993 348928721 /nfs/dbraw/zinc/92/87/21/348928721.db2.gz MXYKNPJMGFIRGV-UHFFFAOYSA-N 0 3 294.402 2.619 20 30 CFEDHN CC(C)(CC#N)CNCc1cccc(-n2cccn2)c1 ZINC000590970634 348974777 /nfs/dbraw/zinc/97/47/77/348974777.db2.gz IFVHEKDDAFZBDY-UHFFFAOYSA-N 0 3 268.364 2.902 20 30 CFEDHN CCN1C[C@@H](CN(C)[C@H](C)CCC#N)Oc2ccccc21 ZINC000591010427 348977816 /nfs/dbraw/zinc/97/78/16/348977816.db2.gz VPHXLPTYUAWRLD-HUUCEWRRSA-N 0 3 287.407 2.898 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000591022859 348979319 /nfs/dbraw/zinc/97/93/19/348979319.db2.gz LNGZOFFSNBJVJQ-QWHCGFSZSA-N 0 3 266.385 2.590 20 30 CFEDHN CCOc1ccc(C[C@@H](C)CNC(=O)C(C)C#N)cc1 ZINC000590891678 348963128 /nfs/dbraw/zinc/96/31/28/348963128.db2.gz IDXNJZPFFJJJTN-CHWSQXEVSA-N 0 3 274.364 2.540 20 30 CFEDHN CCOc1ccc(C[C@@H](C)CNC(=O)C(C)C#N)cc1 ZINC000590891679 348963227 /nfs/dbraw/zinc/96/32/27/348963227.db2.gz IDXNJZPFFJJJTN-OLZOCXBDSA-N 0 3 274.364 2.540 20 30 CFEDHN Cc1cc(F)c(CNC2CCN(CC#N)CC2)c(Cl)c1 ZINC000590956326 348972048 /nfs/dbraw/zinc/97/20/48/348972048.db2.gz NYIPZLLHZFHPFI-UHFFFAOYSA-N 0 3 295.789 2.865 20 30 CFEDHN CN1C[C@@H]2CCCN(c3nc(C(C)(C)C)ccc3C#N)[C@@H]2C1 ZINC000591830114 349049429 /nfs/dbraw/zinc/04/94/29/349049429.db2.gz JKKZXLKMGDMBAI-LSDHHAIUSA-N 0 3 298.434 2.781 20 30 CFEDHN CC1(C)C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CO1 ZINC000591356894 349011795 /nfs/dbraw/zinc/01/17/95/349011795.db2.gz IPDLECOJVJLWQN-UKRRQHHQSA-N 0 3 256.349 2.703 20 30 CFEDHN CN(C)C1(CNc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000591370651 349013331 /nfs/dbraw/zinc/01/33/31/349013331.db2.gz SFHLWYMOVZZWLK-UHFFFAOYSA-N 0 3 272.396 2.757 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N3CCNC[C@@](C)(F)C3)c2c1 ZINC000591442119 349022771 /nfs/dbraw/zinc/02/27/71/349022771.db2.gz CXVHQPQUBSLKPC-QGZVFWFLSA-N 0 3 298.365 2.553 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000592069444 349078361 /nfs/dbraw/zinc/07/83/61/349078361.db2.gz MXTDAUUTPMUTKR-HOTGVXAUSA-N 0 3 290.451 2.991 20 30 CFEDHN C[C@@H]1CN(Cc2ccncc2C#N)[C@H]2CCCC[C@@H]12 ZINC000592101948 349083577 /nfs/dbraw/zinc/08/35/77/349083577.db2.gz VCNOQGSMGJYNBD-KCXAZCMYSA-N 0 3 255.365 2.964 20 30 CFEDHN N#Cc1cnccc1CN(CC1CC1)CC1CCC1 ZINC000592120518 349086315 /nfs/dbraw/zinc/08/63/15/349086315.db2.gz DTSOLOCDBSTZMM-UHFFFAOYSA-N 0 3 255.365 2.965 20 30 CFEDHN N#CCCOCCNC1(c2cccc(F)c2)CCC1 ZINC000592145703 349089933 /nfs/dbraw/zinc/08/99/33/349089933.db2.gz XZLNIAFGWBNSOG-UHFFFAOYSA-N 0 3 262.328 2.725 20 30 CFEDHN Cc1cccc(C2(NCCC(=O)N(C)CCC#N)CCC2)c1 ZINC000592146963 349091107 /nfs/dbraw/zinc/09/11/07/349091107.db2.gz XHNXZJKUHDJLBX-UHFFFAOYSA-N 0 3 299.418 2.726 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2csc3ccccc23)C1 ZINC000592151181 349091764 /nfs/dbraw/zinc/09/17/64/349091764.db2.gz NTCFLNXIIDIDID-HNNXBMFYSA-N 0 3 272.373 2.752 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(C)c2)[C@@H]1SC ZINC000592172972 349094468 /nfs/dbraw/zinc/09/44/68/349094468.db2.gz NEAUNPMDKHRVNN-OAGGEKHMSA-N 0 3 290.432 2.865 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)n2cccc2)CC1 ZINC000592313491 349104902 /nfs/dbraw/zinc/10/49/02/349104902.db2.gz XQNQXPPTDQRMCW-HNNXBMFYSA-N 0 3 289.423 2.596 20 30 CFEDHN CC1(C)CN(Cc2cnc3c(C#N)cnn3c2)[C@H]2CCC[C@H]21 ZINC000592514758 349130408 /nfs/dbraw/zinc/13/04/08/349130408.db2.gz ISIHEBKTQAZSSZ-CABCVRRESA-N 0 3 295.390 2.611 20 30 CFEDHN CCC(CC)CN(CCC#N)C[C@H]1CCCN1C ZINC000593016987 349188275 /nfs/dbraw/zinc/18/82/75/349188275.db2.gz ZSHUAIIIRZTYNZ-OAHLLOKOSA-N 0 3 251.418 2.732 20 30 CFEDHN N#CCc1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593118288 349214397 /nfs/dbraw/zinc/21/43/97/349214397.db2.gz PMLABGZDXKRMMQ-AWEZNQCLSA-N 0 3 262.303 2.984 20 30 CFEDHN COc1ccc(C2CCN([C@@H](C)CCC#N)CC2)nc1 ZINC000593042308 349193491 /nfs/dbraw/zinc/19/34/91/349193491.db2.gz YNUOEPUYRPRTGW-ZDUSSCGKSA-N 0 3 273.380 2.962 20 30 CFEDHN CCN(Cc1ccc(C#N)c(C)c1)[C@H]1CCCOC1 ZINC000593071904 349201385 /nfs/dbraw/zinc/20/13/85/349201385.db2.gz VYYHZVFXTVTIPJ-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C[C@H](NC1(C2CCC2)CC1)C(=O)Nc1ccccc1C#N ZINC000593081594 349204031 /nfs/dbraw/zinc/20/40/31/349204031.db2.gz FHKOLIVHPGSPNU-LBPRGKRZSA-N 0 3 283.375 2.808 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@H](C)CO)CC1 ZINC000593084549 349204737 /nfs/dbraw/zinc/20/47/37/349204737.db2.gz ROFVERFJOVSJHA-ZIAGYGMSSA-N 0 3 272.392 2.960 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593828614 349329812 /nfs/dbraw/zinc/32/98/12/349329812.db2.gz NQCYTOZMIAUTGS-GXTWGEPZSA-N 0 3 274.339 2.909 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)CCCCC#N)c1 ZINC000593961485 349340911 /nfs/dbraw/zinc/34/09/11/349340911.db2.gz XKGOZZFRKRZZKR-UHFFFAOYSA-N 0 3 259.353 2.771 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)nc1 ZINC000593969342 349342488 /nfs/dbraw/zinc/34/24/88/349342488.db2.gz DEYCQSSPDIKORZ-GJZGRUSLSA-N 0 3 285.391 2.592 20 30 CFEDHN CCC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594035882 349358222 /nfs/dbraw/zinc/35/82/22/349358222.db2.gz VMAMFOSSSLCITE-HNNXBMFYSA-N 0 3 258.365 2.688 20 30 CFEDHN N#Cc1cccc(CNC[C@]2(CO)CCc3ccccc32)c1 ZINC000593653219 349305202 /nfs/dbraw/zinc/30/52/02/349305202.db2.gz WOPPDSWOIFGBKU-IBGZPJMESA-N 0 3 292.382 2.524 20 30 CFEDHN Cc1ccc(CCCNCC2(C#N)CCCC2)cn1 ZINC000593654970 349305983 /nfs/dbraw/zinc/30/59/83/349305983.db2.gz SVUIEPSNRDCNIO-UHFFFAOYSA-N 0 3 257.381 2.996 20 30 CFEDHN COC(=O)C[C@@H]1CC[C@H](NCC2(C#N)CCCC2)[C@@H]1C ZINC000593654808 349306136 /nfs/dbraw/zinc/30/61/36/349306136.db2.gz PTAFRODXYHSEPQ-RDBSUJKOSA-N 0 3 278.396 2.638 20 30 CFEDHN Cc1cc(CN[C@@H](C)COCC2CC2)ccc1C#N ZINC000593682806 349309340 /nfs/dbraw/zinc/30/93/40/349309340.db2.gz YKPUDLFUAILBHW-ZDUSSCGKSA-N 0 3 258.365 2.771 20 30 CFEDHN N#CC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000594204694 349394453 /nfs/dbraw/zinc/39/44/53/349394453.db2.gz WWKYWTULVNDNEU-GJZGRUSLSA-N 0 3 289.423 2.594 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594257999 349401549 /nfs/dbraw/zinc/40/15/49/349401549.db2.gz YACVCVJLFRBQAM-AEFFLSMTSA-N 0 3 299.418 2.563 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CCCCC#N)C1 ZINC000594302387 349405779 /nfs/dbraw/zinc/40/57/79/349405779.db2.gz HOKHKJBZIMAUNB-QGZVFWFLSA-N 0 3 299.418 2.803 20 30 CFEDHN CCOC(=O)CCN(CC#Cc1ccccc1)C(C)C ZINC000594052793 349364994 /nfs/dbraw/zinc/36/49/94/349364994.db2.gz LZJZFNLVSVKJLJ-UHFFFAOYSA-N 0 3 273.376 2.702 20 30 CFEDHN CC[C@H](C#N)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000594095488 349376417 /nfs/dbraw/zinc/37/64/17/349376417.db2.gz WTVITGNXEBFXMW-QGZVFWFLSA-N 0 3 299.418 2.659 20 30 CFEDHN CO[C@H](C)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594437370 349422494 /nfs/dbraw/zinc/42/24/94/349422494.db2.gz LQPGELHIIFINSY-DOMZBBRYSA-N 0 3 289.379 2.744 20 30 CFEDHN Cc1ccccc1[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594440806 349422600 /nfs/dbraw/zinc/42/26/00/349422600.db2.gz ZSLXJOVOEVBRBP-DOTOQJQBSA-N 0 3 299.418 2.722 20 30 CFEDHN Cc1oc2ccccc2c1CNC(=O)[C@H](N)CCCCC#N ZINC000594443868 349423910 /nfs/dbraw/zinc/42/39/10/349423910.db2.gz WBOLYGPGEHASIJ-OAHLLOKOSA-N 0 3 299.374 2.769 20 30 CFEDHN Cc1ccc(C)c(CN(C)C(=O)[C@H](N)CCCCC#N)c1 ZINC000594443362 349423943 /nfs/dbraw/zinc/42/39/43/349423943.db2.gz ONTMYHSSBWQDQN-MRXNPFEDSA-N 0 3 287.407 2.673 20 30 CFEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1cccs1 ZINC000594443421 349423969 /nfs/dbraw/zinc/42/39/69/349423969.db2.gz HHZWTMNOKUITPS-LLVKDONJSA-N 0 3 279.409 2.511 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594447099 349424815 /nfs/dbraw/zinc/42/48/15/349424815.db2.gz SYIIUDDEDYCTAM-RRFJBIMHSA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@H](CC#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000596894454 350003113 /nfs/dbraw/zinc/00/31/13/350003113.db2.gz BBBULQJMDSYKKV-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H](C)[C@](C)(CO)C1 ZINC000668739983 539744188 /nfs/dbraw/zinc/74/41/88/539744188.db2.gz QNFMLHVCRBZBOA-YOEHRIQHSA-N 0 3 275.392 2.702 20 30 CFEDHN Cc1nn(-c2ccccc2F)cc1CNCCCC#N ZINC000594498864 349431204 /nfs/dbraw/zinc/43/12/04/349431204.db2.gz BSAVLKJRUYOFGH-UHFFFAOYSA-N 0 3 272.327 2.713 20 30 CFEDHN COC(=O)c1ccc2c(c1)[C@H](NCCCC#N)CCC2 ZINC000594501175 349432389 /nfs/dbraw/zinc/43/23/89/349432389.db2.gz RYEVWYYQQWLRTG-OAHLLOKOSA-N 0 3 272.348 2.744 20 30 CFEDHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000597044015 350020749 /nfs/dbraw/zinc/02/07/49/350020749.db2.gz SILBMKPIRONODF-KNXALSJPSA-N 0 3 256.349 2.776 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CO[C@@H](C2CC2)C1 ZINC000597119810 350032625 /nfs/dbraw/zinc/03/26/25/350032625.db2.gz YTDAYOFMMTULKW-HYVNUMGLSA-N 0 3 268.360 2.703 20 30 CFEDHN C[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1[C@H](C)CC[C@H]1C ZINC000594406851 349415258 /nfs/dbraw/zinc/41/52/58/349415258.db2.gz NQSUQINFDJSUQJ-MGPQQGTHSA-N 0 3 297.402 2.662 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000594424380 349417219 /nfs/dbraw/zinc/41/72/19/349417219.db2.gz CEQLRRCWPGKORS-LBPRGKRZSA-N 0 3 297.305 2.638 20 30 CFEDHN CCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594426319 349417920 /nfs/dbraw/zinc/41/79/20/349417920.db2.gz OIOSUCWIFKTPKH-AWEZNQCLSA-N 0 3 259.353 2.599 20 30 CFEDHN Cc1ccccc1[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594425906 349417959 /nfs/dbraw/zinc/41/79/59/349417959.db2.gz MSQRVJILIGEQRW-UKRRQHHQSA-N 0 3 273.380 2.584 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCc1cccc2ccccc21 ZINC000594426537 349418075 /nfs/dbraw/zinc/41/80/75/349418075.db2.gz DZSPLDXYWNRMHT-KRWDZBQOSA-N 0 3 295.386 2.867 20 30 CFEDHN C[C@@H](c1ccccc1F)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594427328 349418654 /nfs/dbraw/zinc/41/86/54/349418654.db2.gz IJHOQRFHWNJDPK-SWLSCSKDSA-N 0 3 291.370 2.756 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594427554 349419039 /nfs/dbraw/zinc/41/90/39/349419039.db2.gz VINGRRDUVQGVMQ-AWEZNQCLSA-N 0 3 277.343 2.590 20 30 CFEDHN CCN(Cc1ccccc1C)C(=O)[C@H](N)CCCCC#N ZINC000594429093 349419439 /nfs/dbraw/zinc/41/94/39/349419439.db2.gz QOORRWDRZGZIOG-MRXNPFEDSA-N 0 3 287.407 2.755 20 30 CFEDHN CCC(CC)CN(CC)C(=O)[C@H](N)CCCCC#N ZINC000594429257 349419751 /nfs/dbraw/zinc/41/97/51/349419751.db2.gz RODFFEVVSAUPDC-CQSZACIVSA-N 0 3 267.417 2.682 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]2CCCC[C@H]12 ZINC000594429290 349420090 /nfs/dbraw/zinc/42/00/90/349420090.db2.gz SFYHWIHAJKFOHH-KLHDSHLOSA-N 0 3 291.439 2.825 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594429877 349420162 /nfs/dbraw/zinc/42/01/62/349420162.db2.gz XPRCOIGDCMRBRJ-UKRRQHHQSA-N 0 3 285.391 2.938 20 30 CFEDHN CC(C)C[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594433642 349420398 /nfs/dbraw/zinc/42/03/98/349420398.db2.gz QBCOUOBWXRMFOU-CABCVRRESA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000594431673 349420886 /nfs/dbraw/zinc/42/08/86/349420886.db2.gz PODWIPKELJRYLC-GJZGRUSLSA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594434988 349421703 /nfs/dbraw/zinc/42/17/03/349421703.db2.gz YFXGMISOUGGYJG-ILXRZTDVSA-N 0 3 279.428 2.729 20 30 CFEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](N)CCCCC#N ZINC000594434586 349421738 /nfs/dbraw/zinc/42/17/38/349421738.db2.gz PULBSJCRVXFBLC-BARDWOONSA-N 0 3 277.412 2.577 20 30 CFEDHN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594436550 349421799 /nfs/dbraw/zinc/42/17/99/349421799.db2.gz KGCDUCXIFRLDDQ-RBSFLKMASA-N 0 3 279.428 2.873 20 30 CFEDHN Cc1cccc2c1CC[C@H]2NC(=O)[C@@H](N)CCCCC#N ZINC000594434515 349421876 /nfs/dbraw/zinc/42/18/76/349421876.db2.gz NWCLTQDHQXWJEO-JKSUJKDBSA-N 0 3 285.391 2.510 20 30 CFEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H](C)CC#N)CC1 ZINC000597256807 350074236 /nfs/dbraw/zinc/07/42/36/350074236.db2.gz HEYPPTOVGWSBSB-LSDHHAIUSA-N 0 3 299.418 2.878 20 30 CFEDHN CO[C@@H](C)CN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126260 350033379 /nfs/dbraw/zinc/03/33/79/350033379.db2.gz IPKOQSGIVNTWIT-ZDUSSCGKSA-N 0 3 258.365 2.708 20 30 CFEDHN C=CCC1(NCc2cc(C(=O)OC)c(C)o2)CCOCC1 ZINC000597203977 350055425 /nfs/dbraw/zinc/05/54/25/350055425.db2.gz BKXAKKPFRKKMIO-UHFFFAOYSA-N 0 3 293.363 2.590 20 30 CFEDHN Cc1ccc(NC(=O)[C@H](C)CC#N)c(CN(C)C)c1 ZINC000597233315 350066508 /nfs/dbraw/zinc/06/65/08/350066508.db2.gz CFXLEYARTPESNT-GFCCVEGCSA-N 0 3 259.353 2.545 20 30 CFEDHN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000597238803 350068251 /nfs/dbraw/zinc/06/82/51/350068251.db2.gz JEBLLXHKAJETQW-DZGCQCFKSA-N 0 3 292.404 2.831 20 30 CFEDHN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1cc(C#N)cs1 ZINC000597240882 350069682 /nfs/dbraw/zinc/06/96/82/350069682.db2.gz QBGBMUXZBNHNSZ-HIFRSBDPSA-N 0 3 292.404 2.831 20 30 CFEDHN C[C@@H](NC(=O)CC1(C#N)CCCCC1)C1=CCN(C)CC1 ZINC000597489686 350103405 /nfs/dbraw/zinc/10/34/05/350103405.db2.gz ZMCMDDLANJIPSN-CQSZACIVSA-N 0 3 289.423 2.617 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2ccc(C#N)cc2F)[C@H](C)O1 ZINC000414511237 233276665 /nfs/dbraw/zinc/27/66/65/233276665.db2.gz GNJZDBAQBSPGGS-SUNKGSAMSA-N 0 3 262.328 2.600 20 30 CFEDHN CCCN(CCN1CCCCCC1)C(=O)[C@H](C)CC#N ZINC000597657932 350121390 /nfs/dbraw/zinc/12/13/90/350121390.db2.gz YEBYGPKWMDAPBB-OAHLLOKOSA-N 0 3 279.428 2.651 20 30 CFEDHN CN(CCN1CCCCC1)C(=O)CC1(C#N)CCCCC1 ZINC000597826566 350141147 /nfs/dbraw/zinc/14/11/47/350141147.db2.gz ZXTRHRGCRKPBKW-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000271271327 191041292 /nfs/dbraw/zinc/04/12/92/191041292.db2.gz CMVXXTGEFIUIII-YPMHNXCESA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C#N)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000598117641 350201097 /nfs/dbraw/zinc/20/10/97/350201097.db2.gz WJBWRKLTXJRRHK-NSHDSACASA-N 0 3 297.383 2.854 20 30 CFEDHN CCCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000598341598 350241031 /nfs/dbraw/zinc/24/10/31/350241031.db2.gz DKSSZMSSUFMZGH-MRXNPFEDSA-N 0 3 299.418 2.702 20 30 CFEDHN CC(C)C[C@H](CNC(=O)C(C)C#N)CC(=O)OC(C)(C)C ZINC000598401809 350257389 /nfs/dbraw/zinc/25/73/89/350257389.db2.gz DEFDVCSVSIGGLK-OLZOCXBDSA-N 0 3 296.411 2.656 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598623321 350296239 /nfs/dbraw/zinc/29/62/39/350296239.db2.gz WICPCKZGCVTLEZ-CJNGLKHVSA-N 0 3 285.391 2.852 20 30 CFEDHN COc1nc(C)cc(C)c1CN(C)CCCCC#N ZINC000598648065 350301301 /nfs/dbraw/zinc/30/13/01/350301301.db2.gz HKOFSAOTCPLDHL-UHFFFAOYSA-N 0 3 261.369 2.833 20 30 CFEDHN Cc1cccc(CC2CN(C[C@H](O)CC(C)(C)C#N)C2)c1 ZINC000598700836 350312530 /nfs/dbraw/zinc/31/25/30/350312530.db2.gz GHKBMPHPEQYFLP-QGZVFWFLSA-N 0 3 286.419 2.770 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715863 350316542 /nfs/dbraw/zinc/31/65/42/350316542.db2.gz UHHQVEPRVBBYCE-VXGBXAGGSA-N 0 3 286.379 2.514 20 30 CFEDHN C[C@@H]1c2ccsc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598588010 350287032 /nfs/dbraw/zinc/28/70/32/350287032.db2.gz WZNQXOIRIKYQQD-VXGBXAGGSA-N 0 3 278.421 2.968 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000598591284 350288070 /nfs/dbraw/zinc/28/80/70/350288070.db2.gz YGPRWUGDYURBGD-HOCLYGCPSA-N 0 3 290.382 2.916 20 30 CFEDHN Cc1cccnc1[C@@H](NC[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598595317 350289095 /nfs/dbraw/zinc/28/90/95/350289095.db2.gz ICMVUTZVBYKZBA-CABCVRRESA-N 0 3 289.423 2.978 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccccn1 ZINC000598592907 350289132 /nfs/dbraw/zinc/28/91/32/350289132.db2.gz NBICXPDWCDIQHZ-DZGCQCFKSA-N 0 3 273.380 2.519 20 30 CFEDHN CC[C@H](c1ccncc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598598683 350289813 /nfs/dbraw/zinc/28/98/13/350289813.db2.gz IOGFMWBKJQDAFM-HUUCEWRRSA-N 0 3 275.396 2.765 20 30 CFEDHN C[C@@H](c1cccc(O)c1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598596668 350290096 /nfs/dbraw/zinc/29/00/96/350290096.db2.gz SARLATRXQYNYQR-SWLSCSKDSA-N 0 3 276.380 2.686 20 30 CFEDHN C[C@H]1COc2ccccc2CN1C[C@H](O)CC(C)(C)C#N ZINC000598600934 350290889 /nfs/dbraw/zinc/29/08/89/350290889.db2.gz CCZLMCHGPKGNDS-DZGCQCFKSA-N 0 3 288.391 2.570 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(F)c1F ZINC000598601914 350291941 /nfs/dbraw/zinc/29/19/41/350291941.db2.gz QISCWZKXVFGMOU-GHMZBOCLSA-N 0 3 282.334 2.916 20 30 CFEDHN CCc1cnccc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598603901 350291973 /nfs/dbraw/zinc/29/19/73/350291973.db2.gz LCVNLNZBOHOMLZ-JSGCOSHPSA-N 0 3 275.396 2.595 20 30 CFEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598613178 350293530 /nfs/dbraw/zinc/29/35/30/350293530.db2.gz HFGJXLFNIMNAQR-MXWKQRLJSA-N 0 3 278.318 2.560 20 30 CFEDHN CCN(Cc1occc1C)C[C@H](O)CC(C)(C)C#N ZINC000598621325 350295341 /nfs/dbraw/zinc/29/53/41/350295341.db2.gz KLVCQORQWWJFEF-CYBMUJFWSA-N 0 3 264.369 2.711 20 30 CFEDHN Cn1ncc(C(F)(F)F)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000599058882 350367598 /nfs/dbraw/zinc/36/75/98/350367598.db2.gz HIWAGCOHSPGHGH-NXEZZACHSA-N 0 3 286.301 2.611 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000599065231 350368826 /nfs/dbraw/zinc/36/88/26/350368826.db2.gz JBKDGJVCTAQWAI-ZIAGYGMSSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598974744 350352469 /nfs/dbraw/zinc/35/24/69/350352469.db2.gz HDTRCNKFZAVERO-LLVKDONJSA-N 0 3 297.420 2.730 20 30 CFEDHN Cc1cccc2c1C[C@H](NCc1cccc(C#N)c1)CO2 ZINC000598985975 350354041 /nfs/dbraw/zinc/35/40/41/350354041.db2.gz BYSOIRZVSOTHBC-INIZCTEOSA-N 0 3 278.355 2.960 20 30 CFEDHN COCC#CCN1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000677820725 539795566 /nfs/dbraw/zinc/79/55/66/539795566.db2.gz UBONMGKXMHXJEZ-DOTOQJQBSA-N 0 3 257.377 2.589 20 30 CFEDHN CN1CCC[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000599135995 350382510 /nfs/dbraw/zinc/38/25/10/350382510.db2.gz AFLDGUHPMLKTIH-CYBMUJFWSA-N 0 3 272.396 2.757 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000599146244 350384737 /nfs/dbraw/zinc/38/47/37/350384737.db2.gz DOYPKCPXMCLBNU-CQSZACIVSA-N 0 3 293.455 2.943 20 30 CFEDHN C=CCN(CCCCC(=O)OC)Cc1cccc(C#N)c1 ZINC000599283537 350406419 /nfs/dbraw/zinc/40/64/19/350406419.db2.gz YAFIXHGQLOZWIG-UHFFFAOYSA-N 0 3 286.375 2.890 20 30 CFEDHN Cc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1C#N ZINC000599338541 350417373 /nfs/dbraw/zinc/41/73/73/350417373.db2.gz CWOMZZYAKBEQOJ-HNNXBMFYSA-N 0 3 280.375 2.590 20 30 CFEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599344897 350419580 /nfs/dbraw/zinc/41/95/80/350419580.db2.gz KDAJYMVRYVANMX-JQWIXIFHSA-N 0 3 280.318 2.670 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000599529884 350451558 /nfs/dbraw/zinc/45/15/58/350451558.db2.gz RJYROHQORMZYBO-CYBMUJFWSA-N 0 3 256.349 2.965 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599586574 350459704 /nfs/dbraw/zinc/45/97/04/350459704.db2.gz ARHCOPMFQCESSK-QLFBSQMISA-N 0 3 297.439 2.613 20 30 CFEDHN C[C@H]1CN(CCCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583217 350460183 /nfs/dbraw/zinc/46/01/83/350460183.db2.gz QNDWNAOQAZXHRS-STQMWFEESA-N 0 3 266.385 2.590 20 30 CFEDHN CC#CCCN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599590846 350460988 /nfs/dbraw/zinc/46/09/88/350460988.db2.gz RNQUVRZLUHTBQI-ZIAGYGMSSA-N 0 3 265.397 2.700 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)CC1(C#N)CC1 ZINC000599659147 350475259 /nfs/dbraw/zinc/47/52/59/350475259.db2.gz DCFDLZBVBQHVKE-UHFFFAOYSA-N 0 3 271.408 2.874 20 30 CFEDHN CSCCCN1CCc2c(CC#N)cccc2C1 ZINC000599678648 350479418 /nfs/dbraw/zinc/47/94/18/350479418.db2.gz KJBFTMDSOPQILG-UHFFFAOYSA-N 0 3 260.406 2.864 20 30 CFEDHN N#CCc1cccc2c1CCN(CCc1cscn1)C2 ZINC000599676868 350479436 /nfs/dbraw/zinc/47/94/36/350479436.db2.gz COOLDWPTLPJEPP-UHFFFAOYSA-N 0 3 283.400 2.810 20 30 CFEDHN C/C=C\C[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599688044 350483271 /nfs/dbraw/zinc/48/32/71/350483271.db2.gz BMHUIKLIIBPHAW-VUBDOFJKSA-N 0 3 289.423 2.616 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2cccc3n[nH]cc32)C1 ZINC000600176791 350532188 /nfs/dbraw/zinc/53/21/88/350532188.db2.gz GSKZIWQTCLPGGC-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN COC(=O)Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000600186491 350534301 /nfs/dbraw/zinc/53/43/01/350534301.db2.gz YZKMVPNWODBYKK-JKSUJKDBSA-N 0 3 286.375 2.574 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1cc(C#N)cs1 ZINC000600214611 350542195 /nfs/dbraw/zinc/54/21/95/350542195.db2.gz CHUBVTQFQCJHRI-UHFFFAOYSA-N 0 3 252.383 2.603 20 30 CFEDHN N#CCCCCCC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000600471971 350557108 /nfs/dbraw/zinc/55/71/08/350557108.db2.gz WFRVUUKINNBVTA-OAHLLOKOSA-N 0 3 277.412 2.594 20 30 CFEDHN CC(C#N)C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600487114 350558440 /nfs/dbraw/zinc/55/84/40/350558440.db2.gz AHRYNXJXOZBVJD-SECBINFHSA-N 0 3 282.265 2.750 20 30 CFEDHN N#C[C@@H]1CC[C@H](n2cc(CNC3CCCCC3)nn2)C1 ZINC000600812456 350616222 /nfs/dbraw/zinc/61/62/22/350616222.db2.gz FHAAVVSDQVDYPP-DOMZBBRYSA-N 0 3 273.384 2.565 20 30 CFEDHN Cc1ccc(-c2nc3c(s2)CNCC3)c(C#N)c1 ZINC000600775338 350609227 /nfs/dbraw/zinc/60/92/27/350609227.db2.gz HUDWBBKNGQJICK-UHFFFAOYSA-N 0 3 255.346 2.636 20 30 CFEDHN N#Cc1cnc(N2CC[C@@H](N3CC=CC3)C2)c2sccc21 ZINC000601121964 350674480 /nfs/dbraw/zinc/67/44/80/350674480.db2.gz TUHJZHLCEYNGIF-CYBMUJFWSA-N 0 3 296.399 2.618 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601113536 350671443 /nfs/dbraw/zinc/67/14/43/350671443.db2.gz OIXVBRHPONXLMJ-UHFFFAOYSA-N 0 3 294.330 2.581 20 30 CFEDHN CCN1CCCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601114900 350672203 /nfs/dbraw/zinc/67/22/03/350672203.db2.gz AINXXTQALHLJDR-UHFFFAOYSA-N 0 3 286.404 2.700 20 30 CFEDHN CN(c1ncc(C#N)c2ccsc21)[C@@H]1CCN(C2CC2)C1 ZINC000601115758 350672281 /nfs/dbraw/zinc/67/22/81/350672281.db2.gz KDVYUEKJFXUIAV-CYBMUJFWSA-N 0 3 298.415 2.841 20 30 CFEDHN CCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000601228113 350703322 /nfs/dbraw/zinc/70/33/22/350703322.db2.gz WSZXOBYTAQDWEN-UHFFFAOYSA-N 0 3 286.379 2.506 20 30 CFEDHN C[C@@H](Nc1ncc(C#N)c2ccsc21)C1=CCN(C)CC1 ZINC000601139722 350680061 /nfs/dbraw/zinc/68/00/61/350680061.db2.gz MNDWDRUHTVZBRX-LLVKDONJSA-N 0 3 298.415 2.652 20 30 CFEDHN N#Cc1csc(CNCc2cccc3c2CCOC3)c1 ZINC000601155100 350683818 /nfs/dbraw/zinc/68/38/18/350683818.db2.gz DCCTWRWRMZUFKR-UHFFFAOYSA-N 0 3 284.384 2.982 20 30 CFEDHN Cc1cc(C#N)cc(N2CCN(C)C3(CCCCC3)C2)n1 ZINC000601171268 350687885 /nfs/dbraw/zinc/68/78/85/350687885.db2.gz KJHDXJJYIBYALT-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cccc3c2CCOC3)C1 ZINC000601303743 350719787 /nfs/dbraw/zinc/71/97/87/350719787.db2.gz HTYKDZOCOIRZHU-BBRMVZONSA-N 0 3 270.376 2.931 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCn3nccc31)CC2 ZINC000601321035 350723701 /nfs/dbraw/zinc/72/37/01/350723701.db2.gz MZTJHSXINARXJZ-JKSUJKDBSA-N 0 3 278.359 2.867 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCn3nccc31)CC2 ZINC000601321034 350723915 /nfs/dbraw/zinc/72/39/15/350723915.db2.gz MZTJHSXINARXJZ-HZPDHXFCSA-N 0 3 278.359 2.867 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)cc1F ZINC000601698947 350763761 /nfs/dbraw/zinc/76/37/61/350763761.db2.gz AFALWXBZYDEDFG-MRVPVSSYSA-N 0 3 299.143 2.706 20 30 CFEDHN Cc1ccc(CN2CC[C@H](NC[C@@H](C#N)CCC#N)C2)cc1 ZINC000601966500 350820973 /nfs/dbraw/zinc/82/09/73/350820973.db2.gz BPQUFKJKKRFRJQ-MSOLQXFVSA-N 0 3 296.418 2.602 20 30 CFEDHN CC(C(=O)Nc1cc(F)cc(C#N)c1)C(F)(F)F ZINC000601713111 350767717 /nfs/dbraw/zinc/76/77/17/350767717.db2.gz BNFDVCFPXBPJJG-ZCFIWIBFSA-N 0 3 260.190 2.834 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000601807431 350779817 /nfs/dbraw/zinc/77/98/17/350779817.db2.gz KVMDVDMUZOKETE-HZPDHXFCSA-N 0 3 285.391 2.512 20 30 CFEDHN CC(C)[C@](C)(Cc1ccccc1)NC(=O)C(C)C#N ZINC000601836456 350789777 /nfs/dbraw/zinc/78/97/77/350789777.db2.gz NSNCQSIFYVRSFE-BBRMVZONSA-N 0 3 258.365 2.920 20 30 CFEDHN C[C@H]1CC(NCc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000602014841 350832283 /nfs/dbraw/zinc/83/22/83/350832283.db2.gz HUGDHUKLIRCTDK-QWRGUYRKSA-N 0 3 262.328 2.743 20 30 CFEDHN C[C@@H](CCO)C1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602015235 350832451 /nfs/dbraw/zinc/83/24/51/350832451.db2.gz KBLSFXSXFWJEHI-ZDUSSCGKSA-N 0 3 290.382 2.976 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1OC2CCC1CC2 ZINC000602212296 350852143 /nfs/dbraw/zinc/85/21/43/350852143.db2.gz SBKDYYVOXSXAIP-QQFBHYJXSA-N 0 3 284.359 2.844 20 30 CFEDHN CC(=O)N1CCN(C[C@H](C)CCC#N)CC12CCCCC2 ZINC000602481979 350900604 /nfs/dbraw/zinc/90/06/04/350900604.db2.gz CUGKQUGKEFBQRP-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602500292 350906334 /nfs/dbraw/zinc/90/63/34/350906334.db2.gz YIPGEGVNMUFGGT-CYBMUJFWSA-N 0 3 251.333 2.847 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C)c1nnc2n1CCCCC2 ZINC000602511735 350910526 /nfs/dbraw/zinc/91/05/26/350910526.db2.gz QTWWQLGIDROJBX-CHWSQXEVSA-N 0 3 275.400 2.595 20 30 CFEDHN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000602545744 350919277 /nfs/dbraw/zinc/91/92/77/350919277.db2.gz OWUOSSLWDLTSHD-CVEARBPZSA-N 0 3 299.418 2.802 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)Cc1cccs1 ZINC000602558764 350923648 /nfs/dbraw/zinc/92/36/48/350923648.db2.gz DWFWZYGZPPCQGD-GFCCVEGCSA-N 0 3 271.389 2.983 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc(C)ccc1C ZINC000602557444 350923830 /nfs/dbraw/zinc/92/38/30/350923830.db2.gz JZYNNHCQBGAQOD-HZPDHXFCSA-N 0 3 287.407 2.892 20 30 CFEDHN Cc1ccc2[nH]c(CNC[C@@H](C)CCC#N)nc2c1 ZINC000602561981 350925151 /nfs/dbraw/zinc/92/51/51/350925151.db2.gz ULLREECWDUEFLY-LBPRGKRZSA-N 0 3 256.353 2.901 20 30 CFEDHN Cc1ccc2nc(CNC[C@@H](C)CCC#N)[nH]c2c1 ZINC000602561981 350925156 /nfs/dbraw/zinc/92/51/56/350925156.db2.gz ULLREECWDUEFLY-LBPRGKRZSA-N 0 3 256.353 2.901 20 30 CFEDHN Cc1ccc(O[C@@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602563476 350925626 /nfs/dbraw/zinc/92/56/26/350925626.db2.gz WSGLCAQZCGTIJM-AWEZNQCLSA-N 0 3 281.359 2.819 20 30 CFEDHN COC[C@@H](NC1CCC(C#N)CC1)c1ccc(C)o1 ZINC000602566436 350926530 /nfs/dbraw/zinc/92/65/30/350926530.db2.gz YCNPAEJQSUWVRT-JXQTWKCFSA-N 0 3 262.353 2.948 20 30 CFEDHN CC(C)(CNCc1cccc(C#N)n1)[C@@H]1CCCCO1 ZINC000602571323 350928579 /nfs/dbraw/zinc/92/85/79/350928579.db2.gz ZWDNAUKOKHDQMV-HNNXBMFYSA-N 0 3 273.380 2.638 20 30 CFEDHN C/C=C\C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000602577156 350930896 /nfs/dbraw/zinc/93/08/96/350930896.db2.gz TXQNYNTURPTUGQ-VIOGHGGCSA-N 0 3 277.412 2.602 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000602577503 350930919 /nfs/dbraw/zinc/93/09/19/350930919.db2.gz PHSBQURXNSGIQA-BRWVUGGUSA-N 0 3 299.418 2.850 20 30 CFEDHN COc1ccc2c(c1)CN(C[C@@H](C)CCC#N)CC2 ZINC000602456263 350889111 /nfs/dbraw/zinc/88/91/11/350889111.db2.gz WCZCGYSJVIEMCK-ZDUSSCGKSA-N 0 3 258.365 2.993 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602469969 350893319 /nfs/dbraw/zinc/89/33/19/350893319.db2.gz BONIPRJDSHOMAV-HUUCEWRRSA-N 0 3 273.380 2.589 20 30 CFEDHN N#Cc1cccc(CN2CCc3ccccc3CC2)n1 ZINC000602469620 350893461 /nfs/dbraw/zinc/89/34/61/350893461.db2.gz VQEQGDYTODDMMN-UHFFFAOYSA-N 0 3 263.344 2.554 20 30 CFEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1C[C@@H](C)CCC#N ZINC000602475803 350897458 /nfs/dbraw/zinc/89/74/58/350897458.db2.gz KSJJZPBFHIFZAE-NUEKZKHPSA-N 0 3 279.428 2.648 20 30 CFEDHN C[C@@H](CCC#N)CNc1cccc(CN2CC[C@H](O)C2)c1 ZINC000602677002 350973750 /nfs/dbraw/zinc/97/37/50/350973750.db2.gz PHSYCOUAGKNJIV-YOEHRIQHSA-N 0 3 287.407 2.605 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000602679319 350974774 /nfs/dbraw/zinc/97/47/74/350974774.db2.gz CZKNRJZPBCPIDT-ILXRZTDVSA-N 0 3 299.418 2.882 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000602679310 350974912 /nfs/dbraw/zinc/97/49/12/350974912.db2.gz CRUCTLSKEBTVLW-OLZOCXBDSA-N 0 3 291.361 2.742 20 30 CFEDHN N#Cc1cccc(CN2C[C@H](C3CC3)[C@H]2C2CC2)n1 ZINC000602679644 350975012 /nfs/dbraw/zinc/97/50/12/350975012.db2.gz ARHLCLZHLGYLQB-HZPDHXFCSA-N 0 3 253.349 2.574 20 30 CFEDHN C[C@H](CCC#N)CN1CCOCC12CCCCC2 ZINC000602683410 350976549 /nfs/dbraw/zinc/97/65/49/350976549.db2.gz VOALZRCRUJLKOK-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN Cn1ccnc1[C@@H](N[C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000602682441 350976903 /nfs/dbraw/zinc/97/69/03/350976903.db2.gz XJINSDNOTDNWTE-UBHSHLNASA-N 0 3 258.369 2.543 20 30 CFEDHN COC(=O)[C@@H]1CN(C[C@H](C)CCC#N)Cc2ccccc21 ZINC000602729374 351003138 /nfs/dbraw/zinc/00/31/38/351003138.db2.gz JKFJAODBPFBLAU-CZUORRHYSA-N 0 3 286.375 2.699 20 30 CFEDHN C[C@@H](CCC#N)CNc1cnn(C2CCN(C)CC2)c1 ZINC000602731146 351004212 /nfs/dbraw/zinc/00/42/12/351004212.db2.gz JOWUAEXUDPXXRM-ZDUSSCGKSA-N 0 3 275.400 2.502 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000602617918 350948080 /nfs/dbraw/zinc/94/80/80/350948080.db2.gz PTUNABXBBBEMGX-MAUKXSAKSA-N 0 3 293.370 2.963 20 30 CFEDHN C=CCCCCNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602617140 350948200 /nfs/dbraw/zinc/94/82/00/350948200.db2.gz ASYIOHQTZAWMPA-UHFFFAOYSA-N 0 3 293.411 2.821 20 30 CFEDHN COc1ccc(F)cc1CNC[C@H](C)CCC#N ZINC000602623779 350950934 /nfs/dbraw/zinc/95/09/34/350950934.db2.gz QHMNEXINQHRUMP-LLVKDONJSA-N 0 3 250.317 2.864 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000602631662 350953457 /nfs/dbraw/zinc/95/34/57/350953457.db2.gz QCFNSHNEWVQZKX-MRXNPFEDSA-N 0 3 285.391 2.925 20 30 CFEDHN CC(C)(C)CCN1CCN(CC2(CC#N)CC2)CC1 ZINC000602762270 351015719 /nfs/dbraw/zinc/01/57/19/351015719.db2.gz DYRROXHTUOEKTH-UHFFFAOYSA-N 0 3 263.429 2.734 20 30 CFEDHN CC1(C)CO[C@H](CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000602804942 351032594 /nfs/dbraw/zinc/03/25/94/351032594.db2.gz ICAHNEQXKQLDNN-HNNXBMFYSA-N 0 3 270.376 2.952 20 30 CFEDHN N#CCC1(CN2CCC[C@H](c3ccncc3)C2)CC1 ZINC000602825800 351037491 /nfs/dbraw/zinc/03/74/91/351037491.db2.gz FMHYJNIJLQSXKC-HNNXBMFYSA-N 0 3 255.365 2.955 20 30 CFEDHN CN(CCCN(C)CC1(CC#N)CC1)Cc1ccco1 ZINC000602829994 351039000 /nfs/dbraw/zinc/03/90/00/351039000.db2.gz SPNVDCFYJPQKMX-UHFFFAOYSA-N 0 3 275.396 2.727 20 30 CFEDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CC2(CC#N)CC2)C1 ZINC000602847118 351044025 /nfs/dbraw/zinc/04/40/25/351044025.db2.gz SDXYKFUFLLSGIA-KBPBESRZSA-N 0 3 292.423 2.980 20 30 CFEDHN C[C@@H]1CN(Cc2cccc3ncccc23)C[C@H](C)N1CC#N ZINC000602852085 351045064 /nfs/dbraw/zinc/04/50/64/351045064.db2.gz ZUIPIBZVMPXSDA-GASCZTMLSA-N 0 3 294.402 2.653 20 30 CFEDHN C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)C[C@H](C)N1CC#N ZINC000602849231 351045287 /nfs/dbraw/zinc/04/52/87/351045287.db2.gz KFUAZRFCLQSBRU-MVJTYMMSSA-N 0 3 283.419 2.708 20 30 CFEDHN C[C@H]1CN(CCCc2ccsc2)C[C@H](C)N1CC#N ZINC000602853052 351045747 /nfs/dbraw/zinc/04/57/47/351045747.db2.gz GFEUGLADFLCZGF-KBPBESRZSA-N 0 3 277.437 2.599 20 30 CFEDHN C[C@H](c1ccccc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855492 351047766 /nfs/dbraw/zinc/04/77/66/351047766.db2.gz HHIAYSKIAURHEO-RBSFLKMASA-N 0 3 257.381 2.666 20 30 CFEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@H]2CCCC[C@H]12 ZINC000602887657 351058119 /nfs/dbraw/zinc/05/81/19/351058119.db2.gz JLZHLBQQRVCCME-KFWWJZLASA-N 0 3 290.407 2.734 20 30 CFEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@@H]2CCCC[C@H]12 ZINC000602887658 351058463 /nfs/dbraw/zinc/05/84/63/351058463.db2.gz JLZHLBQQRVCCME-RBSFLKMASA-N 0 3 290.407 2.734 20 30 CFEDHN Cn1cc(C2=CCCN(CCc3ccc(C#N)cc3)C2)cn1 ZINC000602884557 351058567 /nfs/dbraw/zinc/05/85/67/351058567.db2.gz WHLMXKACWAAGBA-UHFFFAOYSA-N 0 3 292.386 2.624 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](n2ccnn2)CC1 ZINC000602892385 351059104 /nfs/dbraw/zinc/05/91/04/351059104.db2.gz OIMDPRGZPZEVBF-QGZVFWFLSA-N 0 3 295.390 2.685 20 30 CFEDHN CCN(CC1(CC#N)CC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602890942 351059471 /nfs/dbraw/zinc/05/94/71/351059471.db2.gz DKCLNENOQRJDHI-GFCCVEGCSA-N 0 3 289.345 2.639 20 30 CFEDHN C[C@H]1CC[C@@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000602906399 351062383 /nfs/dbraw/zinc/06/23/83/351062383.db2.gz HLYGNNHHKWAHJQ-BBRMVZONSA-N 0 3 285.391 2.700 20 30 CFEDHN N#Cc1ccc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)nc1 ZINC000602908833 351063085 /nfs/dbraw/zinc/06/30/85/351063085.db2.gz UPDWGYHSGCOZCA-XJKSGUPXSA-N 0 3 280.375 2.825 20 30 CFEDHN CC[C@H]1CCC[C@@H](CN2CCN(CCC#N)CC2)C1 ZINC000602748739 351012976 /nfs/dbraw/zinc/01/29/76/351012976.db2.gz RHDDKTWGEZPILN-JKSUJKDBSA-N 0 3 263.429 2.734 20 30 CFEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)ccn1 ZINC000602917851 351064962 /nfs/dbraw/zinc/06/49/62/351064962.db2.gz KMNQXVQJRIBGRR-SJORKVTESA-N 0 3 279.343 2.573 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1CN1CCN(CCC#N)CC1 ZINC000602749133 351013539 /nfs/dbraw/zinc/01/35/39/351013539.db2.gz YNHDCSFQAGLZBT-CVEARBPZSA-N 0 3 263.429 2.734 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)n1cc(CNC2CCCC2)nn1 ZINC000603235233 351123916 /nfs/dbraw/zinc/12/39/16/351123916.db2.gz PQYJHYFEGUFAMQ-CYBMUJFWSA-N 0 3 295.390 2.791 20 30 CFEDHN CN(CCN(C)[C@@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000602981351 351081971 /nfs/dbraw/zinc/08/19/71/351081971.db2.gz BTIOYHJWBAAPTE-DLBZAZTESA-N 0 3 271.408 2.742 20 30 CFEDHN CN(CCCN(C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@H]1C#N ZINC000602981023 351082519 /nfs/dbraw/zinc/08/25/19/351082519.db2.gz YRGHMWOTBZLOOM-YYIAUSFCSA-N 0 3 288.439 2.625 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602982479 351083781 /nfs/dbraw/zinc/08/37/81/351083781.db2.gz TUXGETZHUKXHIU-UONOGXRCSA-N 0 3 280.412 2.980 20 30 CFEDHN C[C@@H](CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000603055126 351095903 /nfs/dbraw/zinc/09/59/03/351095903.db2.gz MRFODMWBPYJXIM-STQMWFEESA-N 0 3 279.428 2.551 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccncc1N ZINC000603433875 351163930 /nfs/dbraw/zinc/16/39/30/351163930.db2.gz WYRVKURUYLYEPM-KRWDZBQOSA-N 0 3 278.359 2.703 20 30 CFEDHN N#Cc1ccccc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000603855112 351186267 /nfs/dbraw/zinc/18/62/67/351186267.db2.gz FDXKSWPUMZVBFG-MRXNPFEDSA-N 0 3 285.391 2.614 20 30 CFEDHN CCOC(=O)CCN(Cc1cccc(C#N)c1)C(C)C ZINC000604501461 351215734 /nfs/dbraw/zinc/21/57/34/351215734.db2.gz XFZOVJBULVWNKO-UHFFFAOYSA-N 0 3 274.364 2.722 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccco2)CC1 ZINC000607645857 351351133 /nfs/dbraw/zinc/35/11/33/351351133.db2.gz MXQBYJRUCKTOSO-ZDUSSCGKSA-N 0 3 276.380 2.540 20 30 CFEDHN N#Cc1c(F)cccc1N[C@H]1CCN(CC2CC2)C1 ZINC000609384403 351499733 /nfs/dbraw/zinc/49/97/33/351499733.db2.gz SUCJXUVFXBAKTE-LBPRGKRZSA-N 0 3 259.328 2.594 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CCC(C)(C)C)CC1 ZINC000609577953 351508720 /nfs/dbraw/zinc/50/87/20/351508720.db2.gz KVARGABRPITQRV-AWEZNQCLSA-N 0 3 251.418 2.588 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1F ZINC000609574600 351509125 /nfs/dbraw/zinc/50/91/25/351509125.db2.gz BFYYVSNMMXKERV-NSHDSACASA-N 0 3 279.334 2.603 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000609620675 351512211 /nfs/dbraw/zinc/51/22/11/351512211.db2.gz LXVMMFBJIZRXBX-NWDGAFQWSA-N 0 3 283.331 2.693 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000609620222 351512453 /nfs/dbraw/zinc/51/24/53/351512453.db2.gz KKBPYVNXTQTQGP-VIFPVBQESA-N 0 3 270.254 2.823 20 30 CFEDHN CC(C)Oc1ccccc1[C@H](C)NC(=O)C(C)C#N ZINC000609920225 351528102 /nfs/dbraw/zinc/52/81/02/351528102.db2.gz VZFCTCUAVOZLSV-RYUDHWBXSA-N 0 3 260.337 2.811 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609921367 351528127 /nfs/dbraw/zinc/52/81/27/351528127.db2.gz NUCSRYMVFLXDJR-JTQLQIEISA-N 0 3 278.302 2.830 20 30 CFEDHN CC(C#N)C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000609920894 351528645 /nfs/dbraw/zinc/52/86/45/351528645.db2.gz LYXSWKJFCGWKRE-KBMXLJTQSA-N 0 3 286.375 2.772 20 30 CFEDHN C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000610429764 351565699 /nfs/dbraw/zinc/56/56/99/351565699.db2.gz AWTXLQQGRPOKGR-IHRRRGAJSA-N 0 3 285.391 2.608 20 30 CFEDHN CCN1CCCC[C@H]1CNc1nc(C)cc(C)c1C#N ZINC000610550210 351581478 /nfs/dbraw/zinc/58/14/78/351581478.db2.gz PTNAEZHBIMLJLW-AWEZNQCLSA-N 0 3 272.396 2.856 20 30 CFEDHN CC[C@@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000610389442 351561036 /nfs/dbraw/zinc/56/10/36/351561036.db2.gz AKUPGOQROOUZTK-BBRMVZONSA-N 0 3 287.407 2.856 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccnc(C#N)c2)C1 ZINC000610994967 351632861 /nfs/dbraw/zinc/63/28/61/351632861.db2.gz OZSPDPVHIBBIQU-DYVFJYSZSA-N 0 3 287.407 2.620 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccccc1C#N ZINC000611119096 351642064 /nfs/dbraw/zinc/64/20/64/351642064.db2.gz SGXMCRJXXPOTPQ-KDOFPFPSSA-N 0 3 280.371 2.812 20 30 CFEDHN CSC[C@H](CCO)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393261 351681254 /nfs/dbraw/zinc/68/12/54/351681254.db2.gz RSYHGCLKWSKJHQ-HOCLYGCPSA-N 0 3 290.432 2.639 20 30 CFEDHN CC(C)N1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394880 351682530 /nfs/dbraw/zinc/68/25/30/351682530.db2.gz PDUQJECRVUPSJS-IRXDYDNUSA-N 0 3 297.402 2.535 20 30 CFEDHN COC(=O)C(C)(C)[C@@H](NCCCC#N)c1ccccc1 ZINC000611405088 351684407 /nfs/dbraw/zinc/68/44/07/351684407.db2.gz HCBYTUQCHATMGZ-AWEZNQCLSA-N 0 3 274.364 2.820 20 30 CFEDHN C[C@H]1CCN(Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000611429962 351689114 /nfs/dbraw/zinc/68/91/14/351689114.db2.gz KMTCJPNCOQMDOG-INIZCTEOSA-N 0 3 283.419 2.887 20 30 CFEDHN COC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCOCC1 ZINC000611465895 351693278 /nfs/dbraw/zinc/69/32/78/351693278.db2.gz FHMWTUHNBLBWKR-LBPRGKRZSA-N 0 3 292.354 2.544 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)ccn1 ZINC000611350807 351673707 /nfs/dbraw/zinc/67/37/07/351673707.db2.gz SLHZHBMYHYCTKB-ZBFHGGJFSA-N 0 3 285.391 2.592 20 30 CFEDHN C=CCN(CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000271444681 191140688 /nfs/dbraw/zinc/14/06/88/191140688.db2.gz MZQALDKYLDKMHV-UHFFFAOYSA-N 0 3 272.348 2.596 20 30 CFEDHN COc1ccc2c(c1)CC[C@@H](NC[C@H](C#N)CCC#N)C2 ZINC000612049428 351766010 /nfs/dbraw/zinc/76/60/10/351766010.db2.gz OBMLSWBOCJKSLT-XJKSGUPXSA-N 0 3 283.375 2.586 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000612061112 351767307 /nfs/dbraw/zinc/76/73/07/351767307.db2.gz NPCWQZHRHYMQLE-QGZVFWFLSA-N 0 3 292.386 2.922 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000612085724 351772470 /nfs/dbraw/zinc/77/24/70/351772470.db2.gz MXTFXPPOVRYMEF-MWLCHTKSSA-N 0 3 278.787 2.810 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(C#N)cc1C ZINC000122966255 187062806 /nfs/dbraw/zinc/06/28/06/187062806.db2.gz JSYHJZHIQWTUES-MRXNPFEDSA-N 0 3 299.418 2.861 20 30 CFEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)C(=O)NC)cc1 ZINC000291949997 198115495 /nfs/dbraw/zinc/11/54/95/198115495.db2.gz QRKWYFQFDADMFA-NEPJUHHUSA-N 0 3 296.798 2.603 20 30 CFEDHN CC(C)(C)c1ccc(C#N)c(NCCN2CCCC2)n1 ZINC000613411482 351953164 /nfs/dbraw/zinc/95/31/64/351953164.db2.gz YAJCJRKYAWBSJM-UHFFFAOYSA-N 0 3 272.396 2.758 20 30 CFEDHN CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000613416977 351954695 /nfs/dbraw/zinc/95/46/95/351954695.db2.gz JKKLXRUHSFQREL-CYBMUJFWSA-N 0 3 284.407 2.899 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CCO)C1 ZINC000614963185 352137164 /nfs/dbraw/zinc/13/71/64/352137164.db2.gz OMRQWJYHUWMLGU-KBPBESRZSA-N 0 3 258.365 2.714 20 30 CFEDHN CO[C@]1(C(F)(F)F)CCCN(CCCCC#N)C1 ZINC000614925102 352132630 /nfs/dbraw/zinc/13/26/30/352132630.db2.gz VCHOFELCHFVBCT-LLVKDONJSA-N 0 3 264.291 2.724 20 30 CFEDHN N#CC1(NC(=O)CN[C@H](CC2CC2)c2ccccc2)CCC1 ZINC000615229089 352170926 /nfs/dbraw/zinc/17/09/26/352170926.db2.gz GEQWDBHQRWGMHH-MRXNPFEDSA-N 0 3 297.402 2.680 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)CC1(CO)CC1 ZINC000614997673 352140443 /nfs/dbraw/zinc/14/04/43/352140443.db2.gz FWAPTSCJTRJMJI-UHFFFAOYSA-N 0 3 272.392 2.692 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1F)C1CC1 ZINC000271542200 191202300 /nfs/dbraw/zinc/20/23/00/191202300.db2.gz ZATSJPCOMAWMEC-UHFFFAOYSA-N 0 3 262.328 2.805 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1C)C1CC1 ZINC000271530592 191194661 /nfs/dbraw/zinc/19/46/61/191194661.db2.gz XFLCEQYIIRHAQG-UHFFFAOYSA-N 0 3 258.365 2.974 20 30 CFEDHN CCC1CCC(N(CCO)Cc2ccnc(C#N)c2)CC1 ZINC000617070790 352489182 /nfs/dbraw/zinc/48/91/82/352489182.db2.gz AHNXLMCSGKBKOG-UHFFFAOYSA-N 0 3 287.407 2.716 20 30 CFEDHN C=CCOCCNCc1c(C)nn(-c2ccccc2)c1C ZINC000314488162 539900260 /nfs/dbraw/zinc/90/02/60/539900260.db2.gz LBNCMFQSBFMVIR-UHFFFAOYSA-N 0 3 285.391 2.781 20 30 CFEDHN C=CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000617615342 352604138 /nfs/dbraw/zinc/60/41/38/352604138.db2.gz ILBJSBSJSSSFOC-UHFFFAOYSA-N 0 3 272.348 2.800 20 30 CFEDHN C=CCCNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000617618090 352605568 /nfs/dbraw/zinc/60/55/68/352605568.db2.gz BMQHMQATHJOWFU-GHMZBOCLSA-N 0 3 292.345 2.588 20 30 CFEDHN C=CCCC1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC000617416288 352561320 /nfs/dbraw/zinc/56/13/20/352561320.db2.gz IVLMDCYUKOZWKH-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C[C@H](NCCO[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000618302259 352751643 /nfs/dbraw/zinc/75/16/43/352751643.db2.gz QKDQGHOCSKPOSL-BBRMVZONSA-N 0 3 274.364 2.752 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618573876 352815870 /nfs/dbraw/zinc/81/58/70/352815870.db2.gz IGOSYYBJFXIKLS-OAHLLOKOSA-N 0 3 276.336 2.764 20 30 CFEDHN CCN(CC)C(=O)C[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618801948 352883304 /nfs/dbraw/zinc/88/33/04/352883304.db2.gz CREOKEQXEFNTGW-DYVFJYSZSA-N 0 3 299.418 2.782 20 30 CFEDHN CC(C)(C)c1cnc(CNC2CCN(CC#N)CC2)s1 ZINC000619198938 352977452 /nfs/dbraw/zinc/97/74/52/352977452.db2.gz TYTZDYXSKDQVHC-UHFFFAOYSA-N 0 3 292.452 2.518 20 30 CFEDHN Cc1ccnc(NC[C@@H]2N(C)CCCC2(C)C)c1C#N ZINC000619158255 352968016 /nfs/dbraw/zinc/96/80/16/352968016.db2.gz HVSHJDMJTQATNG-AWEZNQCLSA-N 0 3 272.396 2.794 20 30 CFEDHN N#CCC1(CNCc2c[nH]nc2-c2ccsc2)CC1 ZINC000619531859 353033562 /nfs/dbraw/zinc/03/35/62/353033562.db2.gz VCYVORNHYJRGTG-UHFFFAOYSA-N 0 3 272.377 2.922 20 30 CFEDHN CC[C@H](NCC1(CC#N)CC1)c1c(C)nn(C)c1C ZINC000619535092 353034095 /nfs/dbraw/zinc/03/40/95/353034095.db2.gz AZJYLMFRQMVDLZ-ZDUSSCGKSA-N 0 3 260.385 2.772 20 30 CFEDHN C[C@H](Cn1cccn1)NCc1ccc(C#N)c(Cl)c1 ZINC000619754594 353063489 /nfs/dbraw/zinc/06/34/89/353063489.db2.gz FGNSDUVDAMOKQA-LLVKDONJSA-N 0 3 274.755 2.586 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(CCC)C2)CCCC1 ZINC000619904676 353076834 /nfs/dbraw/zinc/07/68/34/353076834.db2.gz MVTHRUODOYBJKO-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN N#CC1(CCCN2CC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000619621070 353041015 /nfs/dbraw/zinc/04/10/15/353041015.db2.gz UQBSQHVUKJMPNS-GFCCVEGCSA-N 0 3 290.329 2.971 20 30 CFEDHN CC(C)C[C@@H](C)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000619621028 353041146 /nfs/dbraw/zinc/04/11/46/353041146.db2.gz MGIUAAULUVZUMG-HZPDHXFCSA-N 0 3 265.445 2.834 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC[C@H]2OCCc3ccccc32)C1 ZINC000619673072 353047789 /nfs/dbraw/zinc/04/77/89/353047789.db2.gz QFADZJMQRMHCPF-XNRPHZJLSA-N 0 3 256.349 2.582 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCCCC1 ZINC000620310784 353150165 /nfs/dbraw/zinc/15/01/65/353150165.db2.gz RYJNPEFHXYXCEF-HRCADAONSA-N 0 3 276.424 2.961 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000153595033 188090997 /nfs/dbraw/zinc/09/09/97/188090997.db2.gz PXRNPXAAUFNHMW-INIZCTEOSA-N 0 3 289.423 2.897 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(Cl)ccc1OC(F)F ZINC000321535234 539981251 /nfs/dbraw/zinc/98/12/51/539981251.db2.gz ZHQARBLRKAXXRV-NSHDSACASA-N 0 3 291.725 2.968 20 30 CFEDHN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1cccc(C#N)c1 ZINC000292436428 198288381 /nfs/dbraw/zinc/28/83/81/198288381.db2.gz MGMANKFJJFPIJW-KGLIPLIRSA-N 0 3 287.407 2.761 20 30 CFEDHN C=CCCC(C)(C)NC(=O)[C@@H](CC)N(CC)CC ZINC000620858447 353242129 /nfs/dbraw/zinc/24/21/29/353242129.db2.gz HEXHOFJHITXJHF-CYBMUJFWSA-N 0 3 254.418 2.968 20 30 CFEDHN C#CC[C@@H](NCCn1c(C)csc1=O)c1ccccc1 ZINC000271677000 191272869 /nfs/dbraw/zinc/27/28/69/191272869.db2.gz HSDLCDRHVLHOOP-OAHLLOKOSA-N 0 3 286.400 2.572 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)c1cccc(F)c1 ZINC000292468716 198300023 /nfs/dbraw/zinc/30/00/23/198300023.db2.gz XIGDQNPKWKLVQD-OAHLLOKOSA-N 0 3 284.338 2.807 20 30 CFEDHN Fc1ccc(C#CCN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000156110541 188243125 /nfs/dbraw/zinc/24/31/25/188243125.db2.gz AEEJAPCOPBMCSK-HNNXBMFYSA-N 0 3 273.351 2.678 20 30 CFEDHN C#CC[C@@H](NCCn1ccnc1C)c1ccccc1 ZINC000271681796 191273670 /nfs/dbraw/zinc/27/36/70/191273670.db2.gz IPJOEZSIDYOSGX-MRXNPFEDSA-N 0 3 253.349 2.546 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CCO[C@H](C2CC2)C1 ZINC000157135089 188298841 /nfs/dbraw/zinc/29/88/41/188298841.db2.gz OEZQYKFIBJMZSQ-AEFFLSMTSA-N 0 3 285.387 2.746 20 30 CFEDHN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(C#N)cc1 ZINC000292585569 198341441 /nfs/dbraw/zinc/34/14/41/198341441.db2.gz ZTXWGHOVPCSODL-ZIAGYGMSSA-N 0 3 287.407 2.761 20 30 CFEDHN CC(C)[C@@H]1N(Cc2cc(C#N)n(C)c2)CC12CCC2 ZINC000292694167 198378740 /nfs/dbraw/zinc/37/87/40/198378740.db2.gz BQDOSDBRGUBMMU-HNNXBMFYSA-N 0 3 257.381 2.907 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC1CCN(C2CC2)CC1 ZINC000623390664 353632881 /nfs/dbraw/zinc/63/28/81/353632881.db2.gz YHKLCOHTCQNWAP-UHFFFAOYSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCN1CCc2nccc(Br)c2C1 ZINC000623286390 353607764 /nfs/dbraw/zinc/60/77/64/353607764.db2.gz QVTQBKNYKAOABM-UHFFFAOYSA-N 0 3 267.170 2.778 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000623584464 353678604 /nfs/dbraw/zinc/67/86/04/353678604.db2.gz FXEDHTXMPKMLDQ-XHSDSOJGSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000623709859 353709358 /nfs/dbraw/zinc/70/93/58/353709358.db2.gz KZBQICBFTBBXDX-CABCVRRESA-N 0 3 281.444 2.570 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cc(Br)ccc1C ZINC000624016417 353785306 /nfs/dbraw/zinc/78/53/06/353785306.db2.gz WHANTFVXDCTMJY-CMPLNLGQSA-N 0 3 284.197 2.955 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000624015863 353785352 /nfs/dbraw/zinc/78/53/52/353785352.db2.gz HPAWZZKVBFVJTJ-RNCFNFMXSA-N 0 3 255.720 2.603 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000624182393 353827081 /nfs/dbraw/zinc/82/70/81/353827081.db2.gz AISUEGLFAHAWOG-XNRPHZJLSA-N 0 3 270.376 2.884 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000624315914 353860603 /nfs/dbraw/zinc/86/06/03/353860603.db2.gz GQARWFZCFXLNAO-GJZGRUSLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N2CCCc3ccccc32)C1 ZINC000625699230 354088476 /nfs/dbraw/zinc/08/84/76/354088476.db2.gz BNAALRCTAXCAAG-HNNXBMFYSA-N 0 3 284.403 2.864 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCc2cccc(C)c2)C1 ZINC000625701245 354088812 /nfs/dbraw/zinc/08/88/12/354088812.db2.gz POADKYGGTAWKLL-HNNXBMFYSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000625894837 354134937 /nfs/dbraw/zinc/13/49/37/354134937.db2.gz CTTRVVVJSZNBJC-ZDUSSCGKSA-N 0 3 285.391 2.762 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(CCC)CCC)C1 ZINC000625701559 354089410 /nfs/dbraw/zinc/08/94/10/354089410.db2.gz QAKORYZMNGRVEM-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NC2CCC(C)CC2)C1 ZINC000625704010 354091248 /nfs/dbraw/zinc/09/12/48/354091248.db2.gz RARHJNRZGAIDOZ-SHARSMKWSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)Nc2ccccc2CNC)C1 ZINC000625895611 354135205 /nfs/dbraw/zinc/13/52/05/354135205.db2.gz UXXZSTGOLHWDGQ-CYBMUJFWSA-N 0 3 273.380 2.836 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775188 354107784 /nfs/dbraw/zinc/10/77/84/354107784.db2.gz NUVIEPIYCJJSRG-ZNMIVQPWSA-N 0 3 294.464 2.545 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775591 354108187 /nfs/dbraw/zinc/10/81/87/354108187.db2.gz UFLDEPDSKIJUCF-ZNMIVQPWSA-N 0 3 296.480 2.769 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(OC)cc1OC ZINC000625847211 354127027 /nfs/dbraw/zinc/12/70/27/354127027.db2.gz QYOOOVNGSUEUFG-STQMWFEESA-N 0 3 279.380 2.682 20 30 CFEDHN N#Cc1cccc(C2(NC[C@H]3CCCCO3)CC2)c1 ZINC000271746374 191302654 /nfs/dbraw/zinc/30/26/54/191302654.db2.gz DQGSYIILTCHRAJ-OAHLLOKOSA-N 0 3 256.349 2.706 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1cnccc1C#N ZINC000271746587 191303823 /nfs/dbraw/zinc/30/38/23/191303823.db2.gz AXWINULBCIGQFS-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN CCCCN(CC#Cc1ccc(F)cc1)CCCO ZINC000271761403 191311671 /nfs/dbraw/zinc/31/16/71/191311671.db2.gz OYXFLAWVUFJBRY-UHFFFAOYSA-N 0 3 263.356 2.662 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC000629954928 354961453 /nfs/dbraw/zinc/96/14/53/354961453.db2.gz VAEYGYZXJKLALW-UHFFFAOYSA-N 0 3 272.392 2.686 20 30 CFEDHN C[C@@H](C(=O)N1CCC(CCC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000573969112 334981563 /nfs/dbraw/zinc/98/15/63/334981563.db2.gz LNCVYNVCMHQKEC-KFWWJZLASA-N 0 3 291.439 2.790 20 30 CFEDHN COc1cccc([C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000271845920 191364343 /nfs/dbraw/zinc/36/43/43/191364343.db2.gz QJNWAQOIORGTFP-UGSOOPFHSA-N 0 3 296.370 2.951 20 30 CFEDHN C=CCC[C@H]([NH2+]Cc1nnc(C2CCOCC2)[n-]1)C1CC1 ZINC000631692090 355549369 /nfs/dbraw/zinc/54/93/69/355549369.db2.gz CMOROMFBKHCVOA-AWEZNQCLSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CCC[C@H](NCc1nnc(C2CCOCC2)[nH]1)C1CC1 ZINC000631692090 355549372 /nfs/dbraw/zinc/54/93/72/355549372.db2.gz CMOROMFBKHCVOA-AWEZNQCLSA-N 0 3 290.411 2.533 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000632483072 355707858 /nfs/dbraw/zinc/70/78/58/355707858.db2.gz QDCCXTJVYXIMJE-NVXWUHKLSA-N 0 3 298.430 2.979 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000633093826 355802084 /nfs/dbraw/zinc/80/20/84/355802084.db2.gz UKTDOJWVNQOBAU-UONOGXRCSA-N 0 3 281.444 2.761 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000633253474 355846292 /nfs/dbraw/zinc/84/62/92/355846292.db2.gz XGSBVFDNHWHJPV-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(F)c1 ZINC000253086552 283140222 /nfs/dbraw/zinc/14/02/22/283140222.db2.gz BTLKJQDSLQFQSO-DJIMGWMZSA-N 0 3 288.366 2.823 20 30 CFEDHN C[C@@H](Nc1snc(Cl)c1C#N)C1=CCN(C)CC1 ZINC000272988881 192009630 /nfs/dbraw/zinc/00/96/30/192009630.db2.gz PVIVJJFFLCCCQU-MRVPVSSYSA-N 0 3 282.800 2.730 20 30 CFEDHN C[C@H](Nc1snc(Cl)c1C#N)C1=CCN(C)CC1 ZINC000272988882 192010106 /nfs/dbraw/zinc/01/01/06/192010106.db2.gz PVIVJJFFLCCCQU-QMMMGPOBSA-N 0 3 282.800 2.730 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000453620297 283146973 /nfs/dbraw/zinc/14/69/73/283146973.db2.gz VRBQETROOQJDIC-CHWSQXEVSA-N 0 3 284.281 2.580 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000329123816 540230587 /nfs/dbraw/zinc/23/05/87/540230587.db2.gz RXZMXLFFYRASBO-WNCDQNTKSA-N 0 3 293.411 2.713 20 30 CFEDHN N#Cc1ccc2nc(N3CC[C@@H](N4CC=CC4)C3)ccc2c1 ZINC000301975257 283199892 /nfs/dbraw/zinc/19/98/92/283199892.db2.gz LHBRSZNKYMNSSJ-MRXNPFEDSA-N 0 3 290.370 2.557 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCO[C@H]1C1CC1)CC2 ZINC000353262058 283199385 /nfs/dbraw/zinc/19/93/85/283199385.db2.gz HHXRKURGVUYNSI-IKGGRYGDSA-N 0 3 268.360 2.703 20 30 CFEDHN CC#CCCN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000680881387 540274766 /nfs/dbraw/zinc/27/47/66/540274766.db2.gz ALKYNFAAQDVPTP-HNNXBMFYSA-N 0 3 272.392 2.619 20 30 CFEDHN C=CCCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294374545 199015268 /nfs/dbraw/zinc/01/52/68/199015268.db2.gz RCCVXMWGVJEJFA-AWEZNQCLSA-N 0 3 274.343 2.979 20 30 CFEDHN C=CCOCCN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000294654525 199125407 /nfs/dbraw/zinc/12/54/07/199125407.db2.gz QUIBHOBKBMOYCJ-MRXNPFEDSA-N 0 3 291.391 2.862 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000294766240 199172955 /nfs/dbraw/zinc/17/29/55/199172955.db2.gz BMHBICSNGPPJAP-INIZCTEOSA-N 0 3 286.419 2.979 20 30 CFEDHN C=C(C)CCN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274814558 192789522 /nfs/dbraw/zinc/78/95/22/192789522.db2.gz IQINQGUEOCNKGJ-CYBMUJFWSA-N 0 3 296.436 2.554 20 30 CFEDHN C=CCCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000665944050 540469869 /nfs/dbraw/zinc/46/98/69/540469869.db2.gz DMISFUBNESCAIM-UHFFFAOYSA-N 0 3 289.423 2.772 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000666756575 540577153 /nfs/dbraw/zinc/57/71/53/540577153.db2.gz UBXTVTNLQDZDPY-HOTGVXAUSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccsc2)CC1 ZINC000669870222 540600135 /nfs/dbraw/zinc/60/01/35/540600135.db2.gz HVZIFOQGHLUFKA-GFCCVEGCSA-N 0 3 293.436 2.759 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943869 540624207 /nfs/dbraw/zinc/62/42/07/540624207.db2.gz YBKCGJXXBGOTMZ-NEPJUHHUSA-N 0 3 277.330 2.978 20 30 CFEDHN CCC(CC)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000176707977 189005565 /nfs/dbraw/zinc/00/55/65/189005565.db2.gz CUIRBARCTYPLFZ-LBPRGKRZSA-N 0 3 277.393 2.503 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)NCc1ccc(C#N)s1 ZINC000176954462 189016806 /nfs/dbraw/zinc/01/68/06/189016806.db2.gz WNBVGNIWTUOFRL-QWHCGFSZSA-N 0 3 277.437 2.830 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)C2CCCCC2)s1 ZINC000176961894 189017441 /nfs/dbraw/zinc/01/74/41/189017441.db2.gz IOKIBJJGFRKCBV-CQSZACIVSA-N 0 3 264.394 2.651 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177544504 189055916 /nfs/dbraw/zinc/05/59/16/189055916.db2.gz BBYBXNCRKNFRPF-IJEWVQPXSA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(C)cccc2C)CC1 ZINC000178151010 189093486 /nfs/dbraw/zinc/09/34/86/189093486.db2.gz KQJSUBZYSWFMHA-UHFFFAOYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(F)cc2C)CC1 ZINC000178329659 189107465 /nfs/dbraw/zinc/10/74/65/189107465.db2.gz AZRROMNLIGOANR-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN C=CCOc1cccc(CN2CCC(C)(O)CC2)c1 ZINC000179723587 189216537 /nfs/dbraw/zinc/21/65/37/189216537.db2.gz OMFYRVZTBGPXAC-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(CCC)cc1 ZINC000180028294 189232951 /nfs/dbraw/zinc/23/29/51/189232951.db2.gz IZCDEGXIIOQMFR-ZDUSSCGKSA-N 0 3 260.381 2.592 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1cc(C)c(C)cc1C ZINC000180030744 189233217 /nfs/dbraw/zinc/23/32/17/189233217.db2.gz VVCJLPBPWZLGQT-AWEZNQCLSA-N 0 3 260.381 2.565 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@H](C)c2ccccc21 ZINC000180034130 189233816 /nfs/dbraw/zinc/23/38/16/189233816.db2.gz SHQXJEPFCUTDPR-WFASDCNBSA-N 0 3 258.365 2.517 20 30 CFEDHN C=CCC[C@@H](NCC(=O)NC1CC1)c1ccccc1 ZINC000180041205 189234431 /nfs/dbraw/zinc/23/44/31/189234431.db2.gz KNSQVDWXQAOIMS-OAHLLOKOSA-N 0 3 258.365 2.562 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000180459027 189256678 /nfs/dbraw/zinc/25/66/78/189256678.db2.gz VHGWPWOYGPLDBR-LLVKDONJSA-N 0 3 265.378 2.985 20 30 CFEDHN C#CCOc1ccccc1CNCC[C@@H]1CCCCO1 ZINC000181251889 189292529 /nfs/dbraw/zinc/29/25/29/189292529.db2.gz JBDVLUZZIGOCAJ-INIZCTEOSA-N 0 3 273.376 2.747 20 30 CFEDHN C=C(C)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181295552 189293070 /nfs/dbraw/zinc/29/30/70/189293070.db2.gz RRAUJQXBGYDWBX-LBPRGKRZSA-N 0 3 260.337 2.870 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC)c1ccc(OC(F)F)cc1 ZINC000181386860 189295744 /nfs/dbraw/zinc/29/57/44/189295744.db2.gz VDDAPWCKKSNKRK-CYBMUJFWSA-N 0 3 298.333 2.631 20 30 CFEDHN C[C@@H](NCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181805466 189306973 /nfs/dbraw/zinc/30/69/73/189306973.db2.gz TYQBHPCTOZMHDT-GFCCVEGCSA-N 0 3 274.364 2.941 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc(F)cc1C#N ZINC000301522330 201045420 /nfs/dbraw/zinc/04/54/20/201045420.db2.gz GGQPNYPMPMINMZ-AWEZNQCLSA-N 0 3 261.344 2.984 20 30 CFEDHN CCC#C[C@@H](C)N(C)CCCN(C)Cc1ccco1 ZINC000671739609 541062663 /nfs/dbraw/zinc/06/26/63/541062663.db2.gz VEMZNLNYKGBSDG-OAHLLOKOSA-N 0 3 262.397 2.835 20 30 CFEDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000183051368 189344550 /nfs/dbraw/zinc/34/45/50/189344550.db2.gz GGFWYZIWPVBFSB-NWDGAFQWSA-N 0 3 259.353 2.521 20 30 CFEDHN COC(=O)C1(CNCc2cc(C#N)cs2)CCCCC1 ZINC000183235818 189351486 /nfs/dbraw/zinc/35/14/86/189351486.db2.gz LZKWJNBKESAUTL-UHFFFAOYSA-N 0 3 292.404 2.833 20 30 CFEDHN Cc1cnc([C@@H](C)CNCc2ccc(C#N)o2)s1 ZINC000184347645 189383485 /nfs/dbraw/zinc/38/34/85/189383485.db2.gz RXUOWUOLDIUABJ-VIFPVBQESA-N 0 3 261.350 2.810 20 30 CFEDHN C[C@H](NCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000184653839 189392117 /nfs/dbraw/zinc/39/21/17/189392117.db2.gz FBQXFJOWUSPRCI-JTQLQIEISA-N 0 3 277.393 2.727 20 30 CFEDHN N#Cc1ccc(NC[C@H](c2ccccc2)N2CCCC2)nn1 ZINC000301868956 201239080 /nfs/dbraw/zinc/23/90/80/201239080.db2.gz CIESLHLWTKIWHN-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC1(O)CCC1 ZINC000425538046 239095070 /nfs/dbraw/zinc/09/50/70/239095070.db2.gz RENOHXWWOHXCQJ-CYBMUJFWSA-N 0 3 258.365 2.856 20 30 CFEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000425458069 239067650 /nfs/dbraw/zinc/06/76/50/239067650.db2.gz LXRYSYAYNRHOCD-OAHLLOKOSA-N 0 3 256.349 2.562 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N(C)C[C@@H]1CCCN(C)C1 ZINC000302113187 201346240 /nfs/dbraw/zinc/34/62/40/201346240.db2.gz QJGFOECCNMPLKD-OAHLLOKOSA-N 0 3 285.391 2.539 20 30 CFEDHN CC1=CCN(CCNc2ccc(F)cc2C#N)CC1 ZINC000302136728 201359619 /nfs/dbraw/zinc/35/96/19/201359619.db2.gz FASSYVVVJOMXRA-UHFFFAOYSA-N 0 3 259.328 2.761 20 30 CFEDHN CC1=CCN(CCNc2cccc(F)c2C#N)CC1 ZINC000302182543 201385353 /nfs/dbraw/zinc/38/53/53/201385353.db2.gz ZERVZRLNUXQHFV-UHFFFAOYSA-N 0 3 259.328 2.761 20 30 CFEDHN N#Cc1cnc(N2CCC[C@H]2CN2CCCC2)c(Cl)c1 ZINC000189081239 189522870 /nfs/dbraw/zinc/52/28/70/189522870.db2.gz XXUJLXANKVIAHQ-ZDUSSCGKSA-N 0 3 290.798 2.671 20 30 CFEDHN C[C@@H]1COCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000433154152 240112066 /nfs/dbraw/zinc/11/20/66/240112066.db2.gz ADSMDXKRGJXRKZ-ZWNOBZJWSA-N 0 3 296.317 2.674 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1ccc(F)cc1C#N ZINC000435160381 240292443 /nfs/dbraw/zinc/29/24/43/240292443.db2.gz GOXXVZKKMWPGHH-UHFFFAOYSA-N 0 3 292.358 2.551 20 30 CFEDHN C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H](C)C1 ZINC000443644661 241082412 /nfs/dbraw/zinc/08/24/12/241082412.db2.gz YYSCPQXYNNYCHL-UONOGXRCSA-N 0 3 285.391 2.865 20 30 CFEDHN Cc1cc(CNCC2([C@H](O)C(C)C)CC2)ccc1C#N ZINC000443986156 241102292 /nfs/dbraw/zinc/10/22/92/241102292.db2.gz HUEMUWZIVPEOCT-MRXNPFEDSA-N 0 3 272.392 2.753 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)c(C)c2)cc1 ZINC000443994598 241104768 /nfs/dbraw/zinc/10/47/68/241104768.db2.gz LJGULGZAGIHVFG-IBGZPJMESA-N 0 3 294.398 2.868 20 30 CFEDHN CC1(C)CCCN(CCNCc2ccc(C#N)s2)C1 ZINC000444007230 241106635 /nfs/dbraw/zinc/10/66/35/241106635.db2.gz APSGOKQCTWQSGS-UHFFFAOYSA-N 0 3 277.437 2.831 20 30 CFEDHN CC1(C)CCCN(CCNCc2cc(C#N)cs2)C1 ZINC000444014633 241111083 /nfs/dbraw/zinc/11/10/83/241111083.db2.gz XZHMFUOFDXERII-UHFFFAOYSA-N 0 3 277.437 2.831 20 30 CFEDHN CC[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000447527075 241380308 /nfs/dbraw/zinc/38/03/08/241380308.db2.gz DWQRQTJELHDTEU-NWDGAFQWSA-N 0 3 272.270 2.522 20 30 CFEDHN N#Cc1ccc2ncc(CNC[C@@H]3CCCC3(F)F)n2c1 ZINC000449491587 241971769 /nfs/dbraw/zinc/97/17/69/241971769.db2.gz HPINHAIRKCEEOA-LBPRGKRZSA-N 0 3 290.317 2.731 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@H](CO)CC(C)(C)C ZINC000449593082 242055992 /nfs/dbraw/zinc/05/59/92/242055992.db2.gz ZIWNHMOUMIGSKM-HNNXBMFYSA-N 0 3 260.381 2.787 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000449736145 242125034 /nfs/dbraw/zinc/12/50/34/242125034.db2.gz LFFJOWSGIFJZGW-NZVBXONLSA-N 0 3 276.355 2.846 20 30 CFEDHN C=CC[C@H](C(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000275981047 193179376 /nfs/dbraw/zinc/17/93/76/193179376.db2.gz MRHVEZBNCYVOAF-INIZCTEOSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000276079309 193207544 /nfs/dbraw/zinc/20/75/44/193207544.db2.gz AULFGHFKMJWBOP-GFCCVEGCSA-N 0 3 278.421 2.529 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000276372464 193304983 /nfs/dbraw/zinc/30/49/83/193304983.db2.gz HADSAWAANHCQDU-UKRRQHHQSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000276452272 193336044 /nfs/dbraw/zinc/33/60/44/193336044.db2.gz PRZYPHBZEDWLHP-HNNXBMFYSA-N 0 3 274.408 2.550 20 30 CFEDHN C=CCCN(C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000276391087 193312358 /nfs/dbraw/zinc/31/23/58/193312358.db2.gz JJGKPQYAGCDVRZ-NSHDSACASA-N 0 3 251.326 2.944 20 30 CFEDHN CCC#C[C@@H](C)N1CCN(CCC(C)(C)C)CC1 ZINC000677048461 541813587 /nfs/dbraw/zinc/81/35/87/541813587.db2.gz YCLUSROQWFDKRK-OAHLLOKOSA-N 0 3 250.430 2.842 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@](C)(c2ccccc2)C1 ZINC000677047817 541813867 /nfs/dbraw/zinc/81/38/67/541813867.db2.gz IAPHTYZADUIOHZ-IRXDYDNUSA-N 0 3 259.393 2.977 20 30 CFEDHN COc1cc(CN2CC3(CCC3)[C@@H]3COC[C@H]32)ccc1C#N ZINC000459710106 245280581 /nfs/dbraw/zinc/28/05/81/245280581.db2.gz JLIAZSWPOLZMFO-HZPDHXFCSA-N 0 3 298.386 2.568 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Nc2cccc(C)c2)CC1 ZINC000677478514 541865992 /nfs/dbraw/zinc/86/59/92/541865992.db2.gz DJCBKTKLPADJME-QGZVFWFLSA-N 0 3 274.408 2.808 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(O)cc2)CC1 ZINC000677478883 541865488 /nfs/dbraw/zinc/86/54/88/541865488.db2.gz DZZSGEIRCYZEOU-MRXNPFEDSA-N 0 3 261.365 2.509 20 30 CFEDHN CN(C)[C@H](CNc1ncccc1C#N)c1cccc(F)c1 ZINC000025280518 372293689 /nfs/dbraw/zinc/29/36/89/372293689.db2.gz XAHHJMGLOFZVEL-OAHLLOKOSA-N 0 3 284.338 2.807 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000677539971 541874323 /nfs/dbraw/zinc/87/43/23/541874323.db2.gz UTQCCJCNPVIPJG-ZBFHGGJFSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CC(C)C)c1 ZINC000032112497 372429260 /nfs/dbraw/zinc/42/92/60/372429260.db2.gz VXVHPAPTGNTXMD-AWEZNQCLSA-N 0 3 262.353 2.563 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000034674076 372512879 /nfs/dbraw/zinc/51/28/79/372512879.db2.gz VGHRRFXEXCMBSD-SFHVURJKSA-N 0 3 278.355 2.650 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)C(C)C ZINC000037800128 372715260 /nfs/dbraw/zinc/71/52/60/372715260.db2.gz NMLHOTKSJSZYTI-GFCCVEGCSA-N 0 3 286.828 2.899 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)OCO3)n1 ZINC000041520130 372846060 /nfs/dbraw/zinc/84/60/60/372846060.db2.gz WHBFIMCSFQPWMQ-SNVBAGLBSA-N 0 3 286.312 2.670 20 30 CFEDHN N#CCCCNCc1cccc(Br)c1 ZINC000042418998 372922152 /nfs/dbraw/zinc/92/21/52/372922152.db2.gz SOFPMFBVGLGBIW-UHFFFAOYSA-N 0 3 253.143 2.842 20 30 CFEDHN Cc1cccc(C(=O)N2CCCN(CCCCC#N)CC2)c1 ZINC000263827273 383687773 /nfs/dbraw/zinc/68/77/73/383687773.db2.gz SVMNMMDKENYRPY-UHFFFAOYSA-N 0 3 299.418 2.837 20 30 CFEDHN CN(CCCCC#N)C[C@@H]1OCCc2ccccc21 ZINC000263836823 383688982 /nfs/dbraw/zinc/68/89/82/383688982.db2.gz XANZNYKFDQMIKG-INIZCTEOSA-N 0 3 258.365 2.926 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccccc2SC)CC1 ZINC000049376384 373291058 /nfs/dbraw/zinc/29/10/58/373291058.db2.gz YLDBFZUPQRALQI-UHFFFAOYSA-N 0 3 288.416 2.692 20 30 CFEDHN CN(C)Cc1ccc(CNC(=O)c2sccc2C#N)cc1 ZINC000052147430 373440260 /nfs/dbraw/zinc/44/02/60/373440260.db2.gz HLASOPGLPOJLCX-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=CCN(CC[C@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000677685139 541888692 /nfs/dbraw/zinc/88/86/92/541888692.db2.gz PUEVWNKVONAAGA-INIZCTEOSA-N 0 3 299.480 2.880 20 30 CFEDHN CN(C)Cc1cccc(CNC(=O)C2(C#N)CCCCC2)c1 ZINC000057431390 373594665 /nfs/dbraw/zinc/59/46/65/373594665.db2.gz OOVVMZFCDJYRCL-UHFFFAOYSA-N 0 3 299.418 2.838 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1cc(F)ccc1C#N ZINC000451730297 383693103 /nfs/dbraw/zinc/69/31/03/383693103.db2.gz ODHAVISLPOIRHO-INIZCTEOSA-N 0 3 275.371 2.613 20 30 CFEDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000057661398 373606736 /nfs/dbraw/zinc/60/67/36/373606736.db2.gz LYTJXTVFJUUCRO-MRXNPFEDSA-N 0 3 286.375 2.528 20 30 CFEDHN CN(CCC(=O)Nc1ccccc1C#N)CCC(F)(F)F ZINC000063562293 373809625 /nfs/dbraw/zinc/80/96/25/373809625.db2.gz ULICRZHFQNQYQZ-UHFFFAOYSA-N 0 3 299.296 2.771 20 30 CFEDHN C=CCN(CC=C)CCOc1cccc(C(=O)OC)c1 ZINC000064508363 373823712 /nfs/dbraw/zinc/82/37/12/373823712.db2.gz HTWGVTYCZCMPDU-UHFFFAOYSA-N 0 3 275.348 2.526 20 30 CFEDHN C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000246653685 189931578 /nfs/dbraw/zinc/93/15/78/189931578.db2.gz CATFLUBKBVVBFB-IJLUTSLNSA-N 0 3 289.354 2.897 20 30 CFEDHN CN(c1ccccc1)C1CCN(CCCC#N)CC1 ZINC000065956762 373903348 /nfs/dbraw/zinc/90/33/48/373903348.db2.gz JFNVGELHZPLHSZ-UHFFFAOYSA-N 0 3 257.381 2.891 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000065963548 373906389 /nfs/dbraw/zinc/90/63/89/373906389.db2.gz KZIKPOMTEXIJCQ-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)c(F)c1 ZINC000451745885 383696768 /nfs/dbraw/zinc/69/67/68/383696768.db2.gz YKGLPXYLIJEDGV-OAHLLOKOSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000069679569 374084849 /nfs/dbraw/zinc/08/48/49/374084849.db2.gz NGBDJLDZKOHSPM-DLBZAZTESA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645416452 383697612 /nfs/dbraw/zinc/69/76/12/383697612.db2.gz QOEBLUVGRDAYHU-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN COCC#CCNC(C)(C)c1ccc(Br)cc1 ZINC000677819307 541910058 /nfs/dbraw/zinc/91/00/58/541910058.db2.gz XMLDNZHKEGKHBS-UHFFFAOYSA-N 0 3 296.208 2.924 20 30 CFEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1C ZINC000072874175 374294325 /nfs/dbraw/zinc/29/43/25/374294325.db2.gz BACXIWROKOCVRE-GWUWNPHMSA-N 0 3 291.439 2.790 20 30 CFEDHN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000073971173 374397692 /nfs/dbraw/zinc/39/76/92/374397692.db2.gz TVPDHEMHIHTLDA-HNNXBMFYSA-N 0 3 288.310 2.757 20 30 CFEDHN CN(C)[C@@H](CC(=O)N(CCC#N)CC1CC1)c1ccccc1 ZINC000431844935 383700158 /nfs/dbraw/zinc/70/01/58/383700158.db2.gz NACKIONLSZSJOW-KRWDZBQOSA-N 0 3 299.418 2.832 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1ccc(Cl)s1 ZINC000076735084 374556076 /nfs/dbraw/zinc/55/60/76/374556076.db2.gz OAWLREOBNWAWSP-UHFFFAOYSA-N 0 3 286.828 2.916 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3cc[nH]c32)CC1 ZINC000080079308 374639483 /nfs/dbraw/zinc/63/94/83/374639483.db2.gz KZSKBMFEUZJTDC-UHFFFAOYSA-N 0 3 283.375 2.548 20 30 CFEDHN C[C@@H](NCCOC(F)(F)F)c1ccc(C#N)cc1 ZINC000089051670 374864011 /nfs/dbraw/zinc/86/40/11/374864011.db2.gz RRRHQBBSJQQZQD-SECBINFHSA-N 0 3 258.243 2.745 20 30 CFEDHN N#CCCCCNCc1ccn(-c2ccccc2)n1 ZINC000091059683 375039931 /nfs/dbraw/zinc/03/99/31/375039931.db2.gz JBJBRAMGPRWACR-UHFFFAOYSA-N 0 3 254.337 2.656 20 30 CFEDHN CCOC(=O)CN(CC(C)C)CC(C)(C)CCC#N ZINC000091790026 375061848 /nfs/dbraw/zinc/06/18/48/375061848.db2.gz YKKFKIZTPQZROU-UHFFFAOYSA-N 0 3 268.401 2.837 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCC[C@H]3C3CCC3)n2c1 ZINC000092780938 375151918 /nfs/dbraw/zinc/15/19/18/375151918.db2.gz GPRXCHJQJVMKQS-INIZCTEOSA-N 0 3 280.375 2.970 20 30 CFEDHN N#Cc1csc(CNC[C@H]2Cc3ccccc3O2)c1 ZINC000093492252 375254260 /nfs/dbraw/zinc/25/42/60/375254260.db2.gz ZSIJUOQFGDBEPD-CYBMUJFWSA-N 0 3 270.357 2.713 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](COCC)C1 ZINC000093419312 375232194 /nfs/dbraw/zinc/23/21/94/375232194.db2.gz ZHHVCAUSAOPTJE-INIZCTEOSA-N 0 3 287.403 2.947 20 30 CFEDHN CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C#N)o2)C1(C)C ZINC000093871758 375325094 /nfs/dbraw/zinc/32/50/94/375325094.db2.gz XUNIOEFLYOZNQR-UKRRQHHQSA-N 0 3 262.353 2.787 20 30 CFEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C#N)o2)C1(C)C ZINC000093871760 375326540 /nfs/dbraw/zinc/32/65/40/375326540.db2.gz XUNIOEFLYOZNQR-HIFRSBDPSA-N 0 3 262.353 2.787 20 30 CFEDHN CSC[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093761525 375307630 /nfs/dbraw/zinc/30/76/30/375307630.db2.gz OPCWVEKSOMYQFK-LLVKDONJSA-N 0 3 252.408 2.947 20 30 CFEDHN C#CCOc1ccc(CN2CCC(CC)(CO)CC2)cc1 ZINC000093592153 375269594 /nfs/dbraw/zinc/26/95/94/375269594.db2.gz LDSWSHDQCJLMGB-UHFFFAOYSA-N 0 3 287.403 2.683 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1nc(C(F)(F)F)ccc1C#N ZINC000094335491 375351477 /nfs/dbraw/zinc/35/14/77/375351477.db2.gz JGZDWLWTGBIRPH-LLVKDONJSA-N 0 3 298.312 2.502 20 30 CFEDHN CN(Cc1ccc(O)cc1)Cc1cccc(C#N)c1 ZINC000094332983 375351552 /nfs/dbraw/zinc/35/15/52/375351552.db2.gz UYLILTARCQNJRS-UHFFFAOYSA-N 0 3 252.317 2.896 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000102342079 375671159 /nfs/dbraw/zinc/67/11/59/375671159.db2.gz NXFGSILWKMJSFL-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN CC[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000505314549 247134998 /nfs/dbraw/zinc/13/49/98/247134998.db2.gz ORPXDCZEXSERJM-AWEZNQCLSA-N 0 3 268.364 2.970 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@@H](NCc2ccco2)C1 ZINC000109078084 375820310 /nfs/dbraw/zinc/82/03/10/375820310.db2.gz YVUBLEYEZQBUDY-OAHLLOKOSA-N 0 3 281.359 2.910 20 30 CFEDHN Cn1ccnc1CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000105875682 375792045 /nfs/dbraw/zinc/79/20/45/375792045.db2.gz QPKPVRMQBAOREZ-UHFFFAOYSA-N 0 3 294.402 2.746 20 30 CFEDHN COCC#CCN[C@H](c1ccc(OC)cc1)C(C)C ZINC000678734107 542062981 /nfs/dbraw/zinc/06/29/81/542062981.db2.gz YJKLJYIOCUMHCJ-INIZCTEOSA-N 0 3 261.365 2.632 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678744705 542064316 /nfs/dbraw/zinc/06/43/16/542064316.db2.gz MQMZAAFGEKABAF-BLLLJJGKSA-N 0 3 288.391 2.623 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000678723538 542061823 /nfs/dbraw/zinc/06/18/23/542061823.db2.gz LONOHKUQKMYIEG-WMLDXEAASA-N 0 3 299.418 2.988 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678723538 542061829 /nfs/dbraw/zinc/06/18/29/542061829.db2.gz LONOHKUQKMYIEG-WMLDXEAASA-N 0 3 299.418 2.988 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000678730651 542062372 /nfs/dbraw/zinc/06/23/72/542062372.db2.gz VFHNYRHTSXAZBM-ZIAGYGMSSA-N 0 3 268.364 2.720 20 30 CFEDHN C=CCOc1ccc(C(=O)NCCN(C)CCCC)cc1 ZINC000112310636 375902585 /nfs/dbraw/zinc/90/25/85/375902585.db2.gz TYCFECKQJKRFAK-UHFFFAOYSA-N 0 3 290.407 2.713 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H]1CCc2c1cc(F)cc2F ZINC000678775609 542068386 /nfs/dbraw/zinc/06/83/86/542068386.db2.gz YHFCXUPVIIYGPO-MEBBXXQBSA-N 0 3 267.319 2.726 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC2CC2)CC1 ZINC000112719953 375956608 /nfs/dbraw/zinc/95/66/08/375956608.db2.gz FXDJJGIYBUSUEW-ZDUSSCGKSA-N 0 3 279.428 2.515 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000678798040 542072114 /nfs/dbraw/zinc/07/21/14/542072114.db2.gz GSFZURQRAPXTMW-KBPBESRZSA-N 0 3 268.364 2.720 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C(C)C)CC1 ZINC000114729701 376084581 /nfs/dbraw/zinc/08/45/81/376084581.db2.gz WHMKLZUZBPXSJX-HOTGVXAUSA-N 0 3 293.455 2.753 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000119092298 376352078 /nfs/dbraw/zinc/35/20/78/376352078.db2.gz UVTIEZUCJDTAKJ-ZDUSSCGKSA-N 0 3 267.332 2.683 20 30 CFEDHN C[C@H]1SCCN(CCOc2cccc(C#N)c2)[C@H]1C ZINC000118412696 376293951 /nfs/dbraw/zinc/29/39/51/376293951.db2.gz IJJOTTITFKJQQH-QWHCGFSZSA-N 0 3 276.405 2.763 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119214317 376375404 /nfs/dbraw/zinc/37/54/04/376375404.db2.gz SYVBWUFEUMDZIO-HOCLYGCPSA-N 0 3 295.390 2.623 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000119358769 376400297 /nfs/dbraw/zinc/40/02/97/376400297.db2.gz JRASVVYMGBHMGA-ZIAGYGMSSA-N 0 3 280.371 2.628 20 30 CFEDHN CC(C)(C#N)CCN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000119717901 376458692 /nfs/dbraw/zinc/45/86/92/376458692.db2.gz QYHROJVTFCNYBV-MRXNPFEDSA-N 0 3 294.439 2.976 20 30 CFEDHN CC(C)CO[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000119756033 376465036 /nfs/dbraw/zinc/46/50/36/376465036.db2.gz RAEFQCRVEQCRCQ-INIZCTEOSA-N 0 3 288.391 2.684 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119931930 376508180 /nfs/dbraw/zinc/50/81/80/376508180.db2.gz PWIYKMXVTMGKQO-IMJJTQAJSA-N 0 3 288.366 2.943 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1ccc(C#N)s1 ZINC000120036049 376533723 /nfs/dbraw/zinc/53/37/23/376533723.db2.gz WURIFNXMXLZGSL-UHFFFAOYSA-N 0 3 266.410 2.850 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)Cc2cccs2)CC1 ZINC000264388544 190106272 /nfs/dbraw/zinc/10/62/72/190106272.db2.gz WAQOIIJVSSZYEY-UHFFFAOYSA-N 0 3 293.436 2.540 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000264445863 190110144 /nfs/dbraw/zinc/11/01/44/190110144.db2.gz GZACZXFJMIKAJA-UHFFFAOYSA-N 0 3 262.328 2.806 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3sccc32)CC1 ZINC000264452069 190110436 /nfs/dbraw/zinc/11/04/36/190110436.db2.gz OEDRKFHDEPEHJS-UHFFFAOYSA-N 0 3 274.393 2.754 20 30 CFEDHN C=C1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000264577912 190119661 /nfs/dbraw/zinc/11/96/61/190119661.db2.gz WYWNDFYYNCFUOG-HNNXBMFYSA-N 0 3 295.810 2.870 20 30 CFEDHN COCC#CCN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000679220421 542137800 /nfs/dbraw/zinc/13/78/00/542137800.db2.gz KPZVIGBRZSVRMM-IUODEOHRSA-N 0 3 281.783 2.655 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCCN(c3ccccn3)C2)c1 ZINC000121746082 376897847 /nfs/dbraw/zinc/89/78/47/376897847.db2.gz ZRKFHQFRZYNJAL-QGZVFWFLSA-N 0 3 292.386 2.712 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000121623007 376871247 /nfs/dbraw/zinc/87/12/47/376871247.db2.gz CYGOAPXQJRYWHD-UHFFFAOYSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C[C@@H](C)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000123199497 376949903 /nfs/dbraw/zinc/94/99/03/376949903.db2.gz RKKWCWNTVSYZOY-SECBINFHSA-N 0 3 253.729 2.775 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124451912 377052084 /nfs/dbraw/zinc/05/20/84/377052084.db2.gz NHYWRBQFIFHEIF-BBWFWOEESA-N 0 3 270.376 2.684 20 30 CFEDHN COc1ccc(CNCc2ccc(N(C)C)cc2)cc1C#N ZINC000124934425 377104175 /nfs/dbraw/zinc/10/41/75/377104175.db2.gz FJQHVACHHJAJFA-UHFFFAOYSA-N 0 3 295.386 2.923 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncnc(Cl)c2NC)CC1 ZINC000124934591 377104269 /nfs/dbraw/zinc/10/42/69/377104269.db2.gz IDHPKTVNPGHNIZ-UHFFFAOYSA-N 0 3 295.818 2.624 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000125558781 377169831 /nfs/dbraw/zinc/16/98/31/377169831.db2.gz WSDIXPCLXYTFQK-ZACQAIPSSA-N 0 3 287.378 2.923 20 30 CFEDHN C=CCCC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000126487115 377230995 /nfs/dbraw/zinc/23/09/95/377230995.db2.gz OZWIYLHAPULPBX-UHFFFAOYSA-N 0 3 287.407 2.723 20 30 CFEDHN CC[C@](C)(C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000126990081 377258352 /nfs/dbraw/zinc/25/83/52/377258352.db2.gz RGBNAIFTOKFWHD-FUHWJXTLSA-N 0 3 299.418 2.707 20 30 CFEDHN CC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000126989342 377258458 /nfs/dbraw/zinc/25/84/58/377258458.db2.gz RGBNAIFTOKFWHD-AEFFLSMTSA-N 0 3 299.418 2.707 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)C1(C#N)CCC1)c1ccccc1 ZINC000128312259 377329472 /nfs/dbraw/zinc/32/94/72/377329472.db2.gz SLKZYRZGTGNJIG-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/C(C)(C)C)CC1 ZINC000265380732 190178326 /nfs/dbraw/zinc/17/83/26/190178326.db2.gz QDGUQUQCIFTOCI-RMKNXTFCSA-N 0 3 264.413 2.745 20 30 CFEDHN N#CCC[C@@H](NCC1=CCCOC1)c1ccccc1 ZINC000130593767 377582044 /nfs/dbraw/zinc/58/20/44/377582044.db2.gz LWZNKUIGVMNPDP-MRXNPFEDSA-N 0 3 256.349 2.968 20 30 CFEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)c1ccsc1 ZINC000265477094 190185018 /nfs/dbraw/zinc/18/50/18/190185018.db2.gz BLOBVOGTXMVVBI-ZDUSSCGKSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCOCCNCc1cc(C)ccc1OC(F)F ZINC000679486476 542196550 /nfs/dbraw/zinc/19/65/50/542196550.db2.gz NKHDJWCJUYMMHB-UHFFFAOYSA-N 0 3 271.307 2.889 20 30 CFEDHN C[C@@H](CNc1cccc(C#N)n1)N(C)Cc1ccccc1 ZINC000265567600 190190931 /nfs/dbraw/zinc/19/09/31/190190931.db2.gz UKWJDQCGSDWCGH-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2nc(C)sc21 ZINC000679576886 542211522 /nfs/dbraw/zinc/21/15/22/542211522.db2.gz XFIWAUACOZPZLG-LLVKDONJSA-N 0 3 252.383 2.621 20 30 CFEDHN CC(C)C1CCC(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000130865312 377622600 /nfs/dbraw/zinc/62/26/00/377622600.db2.gz NKQWJAUINNEVLC-PREGVCBESA-N 0 3 299.418 2.889 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(COC)o1 ZINC000130887374 377627430 /nfs/dbraw/zinc/62/74/30/377627430.db2.gz VBEKYFLENCQLRB-HIFRSBDPSA-N 0 3 279.380 2.890 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCC(C)(C)C#N ZINC000131732399 377753620 /nfs/dbraw/zinc/75/36/20/377753620.db2.gz SIHOTGAFOIWBOA-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCCN(C)Cc1ccc(OC)c(OC)c1OC ZINC000265871422 190213752 /nfs/dbraw/zinc/21/37/52/190213752.db2.gz ZNPZUHVLKVEYCI-UHFFFAOYSA-N 0 3 265.353 2.720 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1c(C#N)nnc2ccccc21 ZINC000265871482 190214702 /nfs/dbraw/zinc/21/47/02/190214702.db2.gz JBKXJUSUMZOYGB-CYBMUJFWSA-N 0 3 295.390 2.788 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000132467334 377843901 /nfs/dbraw/zinc/84/39/01/377843901.db2.gz FKDHJFWNZFKFAL-UHFFFAOYSA-N 0 3 276.355 2.550 20 30 CFEDHN CCc1noc(C2CCC(N[C@H](CC)CC#N)CC2)n1 ZINC000133200352 377913139 /nfs/dbraw/zinc/91/31/39/377913139.db2.gz PUTNKUBWDMOPJQ-OTTFEQOBSA-N 0 3 276.384 2.940 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000133844886 377963878 /nfs/dbraw/zinc/96/38/78/377963878.db2.gz MFFKISPSGPNIMH-SJORKVTESA-N 0 3 299.418 2.674 20 30 CFEDHN C[C@@H]1[C@H](C)SCCN1CCOc1ccccc1C#N ZINC000134774168 378049263 /nfs/dbraw/zinc/04/92/63/378049263.db2.gz JKLCTQZTCBNEJR-OLZOCXBDSA-N 0 3 276.405 2.763 20 30 CFEDHN Cc1cn2c(n1)CC[C@H](N[C@@H](C)c1ccc(C#N)s1)C2 ZINC000134852153 378054885 /nfs/dbraw/zinc/05/48/85/378054885.db2.gz NWQZZBBPRLFAHI-RYUDHWBXSA-N 0 3 286.404 2.790 20 30 CFEDHN CSC[C@@H]1CCCN1CCOc1ccccc1C#N ZINC000135437470 378131886 /nfs/dbraw/zinc/13/18/86/378131886.db2.gz JPAXBLSQNCMJHZ-AWEZNQCLSA-N 0 3 276.405 2.764 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1ccc(C#N)cc1 ZINC000136290163 378192643 /nfs/dbraw/zinc/19/26/43/378192643.db2.gz KXTLQJUGMOPMMS-UHFFFAOYSA-N 0 3 268.364 2.585 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)o2)CN1Cc1ccccc1 ZINC000151321375 378317503 /nfs/dbraw/zinc/31/75/03/378317503.db2.gz JJIDAFDBOIGOOY-ZBFHGGJFSA-N 0 3 295.386 2.904 20 30 CFEDHN OCCCCN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000152327581 378408900 /nfs/dbraw/zinc/40/89/00/378408900.db2.gz GLQGHCWBLKLBBK-UHFFFAOYSA-N 0 3 277.795 2.928 20 30 CFEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1nccs1 ZINC000329602476 378467890 /nfs/dbraw/zinc/46/78/90/378467890.db2.gz XZSGFFZPCZZDKQ-ZDCRXTMVSA-N 0 3 295.408 2.523 20 30 CFEDHN Cc1nnc([C@@H](C)NC(=O)C2CCN(C3CC3)CC2)s1 ZINC000328711493 378417901 /nfs/dbraw/zinc/41/79/01/378417901.db2.gz BZPRJKZAHJAFTC-SECBINFHSA-N 0 3 294.424 2.738 20 30 CFEDHN CC(C)[C@@H](O)C1(CNC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000328777193 378424603 /nfs/dbraw/zinc/42/46/03/378424603.db2.gz STWDOZHIPBIKBZ-OAHLLOKOSA-N 0 3 294.439 2.614 20 30 CFEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ncoc1C1CC1 ZINC000328797816 378425959 /nfs/dbraw/zinc/42/59/59/378425959.db2.gz FMXCTBAMNHPBKX-GFCCVEGCSA-N 0 3 289.379 2.874 20 30 CFEDHN Cc1nccn1CC[NH+]=C([O-])N1CCCC12CCCCC2 ZINC000328880929 378434703 /nfs/dbraw/zinc/43/47/03/378434703.db2.gz KYIXVXHWUIUJLN-UHFFFAOYSA-N 0 3 290.411 2.904 20 30 CFEDHN CCC(CC)CN(CC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153896205 378522300 /nfs/dbraw/zinc/52/23/00/378522300.db2.gz VMVDDVNREJKUPH-INIZCTEOSA-N 0 3 287.407 2.843 20 30 CFEDHN Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000329779038 378495646 /nfs/dbraw/zinc/49/56/46/378495646.db2.gz LPZFDOYOXFPYNH-JOYOIKCWSA-N 0 3 277.368 2.648 20 30 CFEDHN CC1(C)CC[C@H]([NH+]=C([O-])NC[C@@H]2CCc3nccn3C2)C1 ZINC000329897370 378511609 /nfs/dbraw/zinc/51/16/09/378511609.db2.gz CVKUXUHMZLRPMZ-STQMWFEESA-N 0 3 290.411 2.528 20 30 CFEDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(=O)[n-]1 ZINC000329958427 378516725 /nfs/dbraw/zinc/51/67/25/378516725.db2.gz QQKNYBNKKUKATQ-AXFHLTTASA-N 0 3 297.424 2.520 20 30 CFEDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(=O)[n-]1 ZINC000329958427 378516732 /nfs/dbraw/zinc/51/67/32/378516732.db2.gz QQKNYBNKKUKATQ-AXFHLTTASA-N 0 3 297.424 2.520 20 30 CFEDHN C#CCN(C[C@H](O)c1cccc(F)c1)C1CCCC1 ZINC000155738745 378632337 /nfs/dbraw/zinc/63/23/37/378632337.db2.gz HHVXAEYMNYMGTR-INIZCTEOSA-N 0 3 261.340 2.737 20 30 CFEDHN C#CCN(Cc1cccc(C(=O)N(C)C)c1)C1CCCC1 ZINC000155773527 378632583 /nfs/dbraw/zinc/63/25/83/378632583.db2.gz FMFGQXPXUDKIHW-UHFFFAOYSA-N 0 3 284.403 2.766 20 30 CFEDHN CC#CCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000155911064 378634272 /nfs/dbraw/zinc/63/42/72/378634272.db2.gz IUBATRKHEXHIMY-FZKQIMNGSA-N 0 3 263.406 2.830 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C#N)cc2)n1 ZINC000155396326 378625214 /nfs/dbraw/zinc/62/52/14/378625214.db2.gz CIIRKBREADAWNX-GFCCVEGCSA-N 0 3 282.328 2.569 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C[C@H]2Cc2ccccc2)o1 ZINC000266174697 190237285 /nfs/dbraw/zinc/23/72/85/190237285.db2.gz SPCWMAHSKFGQPP-CJNGLKHVSA-N 0 3 252.317 2.872 20 30 CFEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000161811770 378873493 /nfs/dbraw/zinc/87/34/93/378873493.db2.gz ZZLXKYPRYCVEGK-GASCZTMLSA-N 0 3 287.407 2.860 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000278710358 194115964 /nfs/dbraw/zinc/11/59/64/194115964.db2.gz LNWKJGAODUEOOO-ZNMIVQPWSA-N 0 3 258.365 2.758 20 30 CFEDHN CC[C@@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278753531 194138183 /nfs/dbraw/zinc/13/81/83/194138183.db2.gz OCBUCJMDHDRHCT-HZPDHXFCSA-N 0 3 285.391 2.608 20 30 CFEDHN C#CCNC(=O)CCN[C@H](CC)c1ccc(Cl)cc1 ZINC000266446098 190257751 /nfs/dbraw/zinc/25/77/51/190257751.db2.gz IITUSYIKLCCUQJ-CQSZACIVSA-N 0 3 278.783 2.520 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1cnn(C=C)c1)C(C)C ZINC000278831547 194175228 /nfs/dbraw/zinc/17/52/28/194175228.db2.gz IUSSVSPSIZCSOU-QGZVFWFLSA-N 0 3 288.439 2.772 20 30 CFEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(C)C#N ZINC000334414110 379256852 /nfs/dbraw/zinc/25/68/52/379256852.db2.gz MVMYPOKFKUFPGY-CABZTGNLSA-N 0 3 260.337 2.877 20 30 CFEDHN C=CC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000334438138 379301411 /nfs/dbraw/zinc/30/14/11/379301411.db2.gz JHBVTZKUKWPAOK-UHFFFAOYSA-N 0 3 256.353 2.664 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(F)cccc2Cl)CC1 ZINC000171719814 379384859 /nfs/dbraw/zinc/38/48/59/379384859.db2.gz PLTRBHURSMATEQ-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000171724835 379385265 /nfs/dbraw/zinc/38/52/65/379385265.db2.gz JBJYQXZSECKVLK-UHFFFAOYSA-N 0 3 284.359 2.813 20 30 CFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1(C#N)CCCCC1 ZINC000335490882 379393956 /nfs/dbraw/zinc/39/39/56/379393956.db2.gz ZIGRDBRIQDVFBX-AWEZNQCLSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@H](N[C@H]1CCSC1)c1ccc(C#N)cc1F ZINC000334467582 379352330 /nfs/dbraw/zinc/35/23/30/379352330.db2.gz WSIXGOPYGOELNP-ONGXEEELSA-N 0 3 250.342 2.853 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)/C=C/c1ccccc1C#N ZINC000171873895 379425693 /nfs/dbraw/zinc/42/56/93/379425693.db2.gz WBWXLNSMEVFPOC-DVQDXYAYSA-N 0 3 297.402 2.562 20 30 CFEDHN C[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1O ZINC000334560679 379529447 /nfs/dbraw/zinc/52/94/47/379529447.db2.gz FNHKEPWSTJRVMT-KBPBESRZSA-N 0 3 250.386 2.553 20 30 CFEDHN COCCN(CCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000172157905 379504433 /nfs/dbraw/zinc/50/44/33/379504433.db2.gz KIFVYIVNOFPQRW-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000335556373 379506109 /nfs/dbraw/zinc/50/61/09/379506109.db2.gz CXJKJOWIRMOEAM-BLLLJJGKSA-N 0 3 274.339 2.909 20 30 CFEDHN C=CCCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000172174253 379511373 /nfs/dbraw/zinc/51/13/73/379511373.db2.gz PNUSYHXPPJZYDB-UHFFFAOYSA-N 0 3 285.391 2.933 20 30 CFEDHN CN1CCN(CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC000334558163 379523876 /nfs/dbraw/zinc/52/38/76/379523876.db2.gz KLUGTRPWYCBRRH-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C#CCCOc1ccc(CNCCNc2ccccn2)cc1 ZINC000267046233 190299526 /nfs/dbraw/zinc/29/95/26/190299526.db2.gz ODRRYPVHCXJAKA-UHFFFAOYSA-N 0 3 295.386 2.685 20 30 CFEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)CCCO ZINC000267420688 190328986 /nfs/dbraw/zinc/32/89/86/190328986.db2.gz WHUXIIMFWDJALE-UHFFFAOYSA-N 0 3 285.309 2.761 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN(c3ccccc3)C2)o1 ZINC000174265453 379853918 /nfs/dbraw/zinc/85/39/18/379853918.db2.gz HLGLPDSRPONMEN-CQSZACIVSA-N 0 3 281.359 2.767 20 30 CFEDHN CC(C)n1cc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000174560485 379908821 /nfs/dbraw/zinc/90/88/21/379908821.db2.gz FRVSDSSOPMDIQG-UHFFFAOYSA-N 0 3 284.363 2.504 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3)C2)o1 ZINC000174398916 379879094 /nfs/dbraw/zinc/87/90/94/379879094.db2.gz YDFPCZFZSOPQSZ-AWEZNQCLSA-N 0 3 281.359 2.910 20 30 CFEDHN CCCC[C@@H](COC)NCc1ccc(OC)c(C#N)c1 ZINC000174410505 379881865 /nfs/dbraw/zinc/88/18/65/379881865.db2.gz SCPVBERDJKDSOH-HNNXBMFYSA-N 0 3 276.380 2.862 20 30 CFEDHN C[C@](CO)(NCc1ccc(C#N)o1)C1CCCCC1 ZINC000174420431 379882838 /nfs/dbraw/zinc/88/28/38/379882838.db2.gz RKCQEJUATBDCGD-OAHLLOKOSA-N 0 3 262.353 2.572 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1cccc(F)c1C#N ZINC000267560599 190337960 /nfs/dbraw/zinc/33/79/60/190337960.db2.gz USNMYWAUZZOOMQ-OLZOCXBDSA-N 0 3 273.355 2.760 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000335015174 379956429 /nfs/dbraw/zinc/95/64/29/379956429.db2.gz VSBWEHMOGAXBPP-MLGOLLRUSA-N 0 3 274.339 2.909 20 30 CFEDHN Cn1cnc2cc(CN3CCC(CC#N)CC3)ccc21 ZINC000335860603 380010476 /nfs/dbraw/zinc/01/04/76/380010476.db2.gz LMVVRKRCJNRAKM-UHFFFAOYSA-N 0 3 268.364 2.699 20 30 CFEDHN N#Cc1csc(CN2CC[C@H](N3CCCCC3)C2)c1 ZINC000335943033 380137414 /nfs/dbraw/zinc/13/74/14/380137414.db2.gz IORGZOHOMDFVIO-AWEZNQCLSA-N 0 3 275.421 2.680 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1cccc(F)c1C#N ZINC000268202301 190385802 /nfs/dbraw/zinc/38/58/02/190385802.db2.gz XPUGUPFBQVWZMZ-ZUZCIYMTSA-N 0 3 259.328 2.592 20 30 CFEDHN Cc1ccc(NC(=O)c2cc(C#N)cn2C)c(CN(C)C)c1 ZINC000176081331 380177197 /nfs/dbraw/zinc/17/71/97/380177197.db2.gz SOHFVKHMGWGLAQ-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN C=CCC(CC=C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000268240766 190389070 /nfs/dbraw/zinc/38/90/70/190389070.db2.gz XBJYXBYXUNNZOC-UHFFFAOYSA-N 0 3 276.424 2.912 20 30 CFEDHN C[C@@H]1[C@@H](C)N(CC#Cc2ccc(Cl)cc2)CCN1C ZINC000336126060 380271998 /nfs/dbraw/zinc/27/19/98/380271998.db2.gz RGPREDLFMUESNR-ZIAGYGMSSA-N 0 3 276.811 2.716 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000336083570 380263931 /nfs/dbraw/zinc/26/39/31/380263931.db2.gz FZLKLIMMJJZLAT-DTWKUNHWSA-N 0 3 262.275 2.583 20 30 CFEDHN CC(=O)Nc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177682825 380367290 /nfs/dbraw/zinc/36/72/90/380367290.db2.gz RBQBPWAVSNMQEJ-UHFFFAOYSA-N 0 3 285.372 2.868 20 30 CFEDHN Cc1noc(C)c1C[C@H](C)NCc1cc(C#N)cs1 ZINC000177704394 380370984 /nfs/dbraw/zinc/37/09/84/380370984.db2.gz BZRFONOWUJMYDN-VIFPVBQESA-N 0 3 275.377 2.945 20 30 CFEDHN C=CCCOCCNCc1ccnn1-c1ccccc1 ZINC000279073853 194273636 /nfs/dbraw/zinc/27/36/36/194273636.db2.gz GIACEALKJJUIKH-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=C(C)COCCNCc1c[nH]c(-c2ccccc2)n1 ZINC000177903488 380392296 /nfs/dbraw/zinc/39/22/96/380392296.db2.gz LZCGHBBWXYJIAK-UHFFFAOYSA-N 0 3 271.364 2.759 20 30 CFEDHN C=C(C)COCCNCc1cnc(-c2ccccc2)[nH]1 ZINC000177903488 380392302 /nfs/dbraw/zinc/39/23/02/380392302.db2.gz LZCGHBBWXYJIAK-UHFFFAOYSA-N 0 3 271.364 2.759 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CO)CC1 ZINC000336594258 380519829 /nfs/dbraw/zinc/51/98/29/380519829.db2.gz HTDGHADUJSUZDL-ZIAGYGMSSA-N 0 3 258.365 2.714 20 30 CFEDHN CCCC1CCC(CN2CCN(CC#N)CC2)CC1 ZINC000180009550 380609167 /nfs/dbraw/zinc/60/91/67/380609167.db2.gz OFPGOMBGVZKLNN-UHFFFAOYSA-N 0 3 263.429 2.734 20 30 CFEDHN Cn1cnc2cc(CNCc3cccc(C#N)c3)ccc21 ZINC000341188307 380823388 /nfs/dbraw/zinc/82/33/88/380823388.db2.gz LZMLTGPYFNTMOA-UHFFFAOYSA-N 0 3 276.343 2.735 20 30 CFEDHN COC[C@H](C#N)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000181332944 380777320 /nfs/dbraw/zinc/77/73/20/380777320.db2.gz MTXLVWMIKMKHRQ-HNNXBMFYSA-N 0 3 287.407 2.999 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295384102 380821448 /nfs/dbraw/zinc/82/14/48/380821448.db2.gz PWCAEMXVITVLSS-CQSZACIVSA-N 0 3 276.424 2.698 20 30 CFEDHN CO[C@@H]1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000341253650 380867252 /nfs/dbraw/zinc/86/72/52/380867252.db2.gz DBWWNXNKBHNNRK-UKRRQHHQSA-N 0 3 262.328 2.602 20 30 CFEDHN COC[C@@H](NCCCSCC#N)c1ccccc1 ZINC000181702437 380869127 /nfs/dbraw/zinc/86/91/27/380869127.db2.gz JJIYSESBHQFNNW-CQSZACIVSA-N 0 3 264.394 2.611 20 30 CFEDHN COC[C@H](NCCCSCC#N)c1ccccc1 ZINC000181702418 380869431 /nfs/dbraw/zinc/86/94/31/380869431.db2.gz JJIYSESBHQFNNW-AWEZNQCLSA-N 0 3 264.394 2.611 20 30 CFEDHN CN1CCC(CC(=O)N(CCC#N)CC(C)(C)C)CC1 ZINC000346994834 380860616 /nfs/dbraw/zinc/86/06/16/380860616.db2.gz TXUAAQVQOKIKCP-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN C[C@@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000347079980 380925600 /nfs/dbraw/zinc/92/56/00/380925600.db2.gz WAMILIUHFZKUTB-DOTOQJQBSA-N 0 3 299.418 2.735 20 30 CFEDHN C[C@@H](NCC1(CCO)CCC1)c1ccc(C#N)cc1F ZINC000358562515 380929371 /nfs/dbraw/zinc/92/93/71/380929371.db2.gz GZRQNKXBHWINCU-GFCCVEGCSA-N 0 3 276.355 2.901 20 30 CFEDHN C=C(CC)CN1CCC(C(=O)N(CC)CC)CC1 ZINC000358495091 380882087 /nfs/dbraw/zinc/88/20/87/380882087.db2.gz HEBJSLGSZRCREM-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(OC(F)F)c(F)c1 ZINC000341266403 380882527 /nfs/dbraw/zinc/88/25/27/380882527.db2.gz IOCSMNIMQPQUER-NSHDSACASA-N 0 3 289.297 2.701 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000347018302 380882493 /nfs/dbraw/zinc/88/24/93/380882493.db2.gz TTWQHQVWEISEMO-OAHLLOKOSA-N 0 3 296.455 2.546 20 30 CFEDHN C=C(CC)CN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000358498724 380884479 /nfs/dbraw/zinc/88/44/79/380884479.db2.gz MJPLHIMDJYPGBV-UHFFFAOYSA-N 0 3 277.364 2.830 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000368033979 380895459 /nfs/dbraw/zinc/89/54/59/380895459.db2.gz IMNIZUDUNKCNIU-DDTOSNHZSA-N 0 3 276.405 2.913 20 30 CFEDHN CC(C)(C)C[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000404094723 380899932 /nfs/dbraw/zinc/89/99/32/380899932.db2.gz AGQZWQRMGRMMAZ-CYBMUJFWSA-N 0 3 264.344 2.584 20 30 CFEDHN COC1(CNCc2ccc(C#N)c(F)c2)CCCC1 ZINC000404107557 380900751 /nfs/dbraw/zinc/90/07/51/380900751.db2.gz HRZZDCHGZAEFSQ-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN Cc1cccc([C@@H](NC(=O)C(C)C#N)C(F)(F)F)c1 ZINC000358530267 380906466 /nfs/dbraw/zinc/90/64/66/380906466.db2.gz FQPLOWNQXFKUJB-MWLCHTKSSA-N 0 3 270.254 2.874 20 30 CFEDHN CC(C)OC(=O)C[C@@H](NCCCC#N)c1ccccc1 ZINC000181830220 380907928 /nfs/dbraw/zinc/90/79/28/380907928.db2.gz GPGZSWURRNGIHU-OAHLLOKOSA-N 0 3 274.364 2.963 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1F ZINC000341317693 380931462 /nfs/dbraw/zinc/93/14/62/380931462.db2.gz WXJACDGYAHRFEF-SNVBAGLBSA-N 0 3 257.736 2.753 20 30 CFEDHN C=C(CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000287862978 380958357 /nfs/dbraw/zinc/95/83/57/380958357.db2.gz DAGOSKLKXGFCKE-GDBMZVCRSA-N 0 3 299.418 2.624 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000287929848 380974926 /nfs/dbraw/zinc/97/49/26/380974926.db2.gz DQWNFXWWQBHEJG-INIZCTEOSA-N 0 3 291.439 2.779 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000341385214 380981504 /nfs/dbraw/zinc/98/15/04/380981504.db2.gz SNKLQKCRPFBGOS-HIFRSBDPSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(F)cccc1Cl ZINC000341322878 380933614 /nfs/dbraw/zinc/93/36/14/380933614.db2.gz OWUALDUSIWWGRY-SNVBAGLBSA-N 0 3 257.736 2.753 20 30 CFEDHN C[C@H](NCCCc1cnn(C)c1)c1ccc(C#N)cc1F ZINC000358581753 380947228 /nfs/dbraw/zinc/94/72/28/380947228.db2.gz ZJOCKPYIGBPRCK-LBPRGKRZSA-N 0 3 286.354 2.714 20 30 CFEDHN Cc1nccn1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358583134 380947796 /nfs/dbraw/zinc/94/77/96/380947796.db2.gz GABCPZIWZVHOMB-LLVKDONJSA-N 0 3 272.327 2.553 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NCCCOC ZINC000411253556 381019834 /nfs/dbraw/zinc/01/98/34/381019834.db2.gz DMQDHRJTGWFBAT-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C[C@H](O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411256094 381021491 /nfs/dbraw/zinc/02/14/91/381021491.db2.gz HZBQOECQCAXERD-AWEZNQCLSA-N 0 3 264.413 2.943 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(Oc2ccccn2)CC1 ZINC000411373108 381023818 /nfs/dbraw/zinc/02/38/18/381023818.db2.gz GVBONJUHRVTRKP-ZDUSSCGKSA-N 0 3 259.353 2.617 20 30 CFEDHN C=C(CNC(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC000288074326 381004614 /nfs/dbraw/zinc/00/46/14/381004614.db2.gz GGUWFCBKELVKKD-INIZCTEOSA-N 0 3 272.392 2.690 20 30 CFEDHN N#Cc1ccc(CN2CC[C@]3(C2)CCCOC3)cc1F ZINC000368504203 381050730 /nfs/dbraw/zinc/05/07/30/381050730.db2.gz PHVRMUXDXNBLCP-INIZCTEOSA-N 0 3 274.339 2.700 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c(COCC)c1)C(C)C ZINC000289596399 381060342 /nfs/dbraw/zinc/06/03/42/381060342.db2.gz UZWNTJNVRVPZTO-MRXNPFEDSA-N 0 3 275.392 2.979 20 30 CFEDHN Cc1nnc(CCN[C@H](C)c2cccc(C#N)c2)s1 ZINC000289627962 381074466 /nfs/dbraw/zinc/07/44/66/381074466.db2.gz FBIODCXBOHQELA-SNVBAGLBSA-N 0 3 272.377 2.612 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1cc(C#N)ccc1F)C1CC1 ZINC000411941461 381065698 /nfs/dbraw/zinc/06/56/98/381065698.db2.gz HFAXWRFIVLGMJB-MEDUHNTESA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCCC[C@@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000182344028 381069399 /nfs/dbraw/zinc/06/93/99/381069399.db2.gz BYMMNUXJIJCFLY-RISCZKNCSA-N 0 3 264.344 2.687 20 30 CFEDHN C=CCCC[C@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000182344046 381069821 /nfs/dbraw/zinc/06/98/21/381069821.db2.gz BYMMNUXJIJCFLY-SMDDNHRTSA-N 0 3 264.344 2.687 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000411954225 381070516 /nfs/dbraw/zinc/07/05/16/381070516.db2.gz SVKBFLIERRHFTK-BDJLRTHQSA-N 0 3 276.355 2.991 20 30 CFEDHN C=C[C@@H](CO)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000289623330 381072886 /nfs/dbraw/zinc/07/28/86/381072886.db2.gz DSLFTYPLIFWVHB-GXTWGEPZSA-N 0 3 264.325 2.573 20 30 CFEDHN C#C[C@H](NCc1c(C)nn(-c2ccccn2)c1C)C(C)C ZINC000289554366 381038521 /nfs/dbraw/zinc/03/85/21/381038521.db2.gz RIPKASBZZZCSRX-INIZCTEOSA-N 0 3 282.391 2.632 20 30 CFEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cncc(F)c1 ZINC000341480432 381038566 /nfs/dbraw/zinc/03/85/66/381038566.db2.gz IMYLDFXSTPRCIT-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1n[nH]cc1C)C(C)C ZINC000289714265 381117735 /nfs/dbraw/zinc/11/77/35/381117735.db2.gz CNWPHDTTWNUASJ-INIZCTEOSA-N 0 3 276.428 2.506 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1ccc(F)c(C#N)c1)C1CC1 ZINC000411976436 381078194 /nfs/dbraw/zinc/07/81/94/381078194.db2.gz WQBOKTKRCOJGIS-MEDUHNTESA-N 0 3 276.355 2.991 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1ccc(F)c(C#N)c1)C1CC1 ZINC000411976435 381079335 /nfs/dbraw/zinc/07/93/35/381079335.db2.gz WQBOKTKRCOJGIS-BZNIZROVSA-N 0 3 276.355 2.991 20 30 CFEDHN C=C[C@H](CO)NC1CC(c2ccc(Cl)cc2)C1 ZINC000289799596 381163434 /nfs/dbraw/zinc/16/34/34/381163434.db2.gz NUCUOVJORLAGDX-HRDQMINSSA-N 0 3 251.757 2.723 20 30 CFEDHN CC#CCCNCc1cn(C)nc1-c1ccccc1 ZINC000354180218 381123952 /nfs/dbraw/zinc/12/39/52/381123952.db2.gz QHVJVBSJPFGQNH-UHFFFAOYSA-N 0 3 253.349 2.590 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCCC(C)C)c1 ZINC000289805009 381166691 /nfs/dbraw/zinc/16/66/91/381166691.db2.gz LDYLQUWUOJSLOC-HNNXBMFYSA-N 0 3 293.407 2.757 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1ccccc1CCN(C)C ZINC000354192296 381131112 /nfs/dbraw/zinc/13/11/12/381131112.db2.gz SIAXALZAVFCDSH-CQSZACIVSA-N 0 3 290.407 2.710 20 30 CFEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccnc1 ZINC000182884105 381178870 /nfs/dbraw/zinc/17/88/70/381178870.db2.gz PJDWYUMBCYQFRL-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000341711463 381185184 /nfs/dbraw/zinc/18/51/84/381185184.db2.gz WEQBFTCCIQGRAB-MIGQKNRLSA-N 0 3 268.360 2.941 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000289855567 381189573 /nfs/dbraw/zinc/18/95/73/381189573.db2.gz QSWXPKJUXHVCMI-IONNQARKSA-N 0 3 275.179 2.773 20 30 CFEDHN COc1cc(C)c(CNCc2cccc(C#N)c2)c(C)n1 ZINC000358976063 381190275 /nfs/dbraw/zinc/19/02/75/381190275.db2.gz KOWKGNXTVBXCNB-UHFFFAOYSA-N 0 3 281.359 2.869 20 30 CFEDHN C=CC[C@H]1N(C[C@H]2CCCS(=O)(=O)C2)CCCC1(C)C ZINC000342169006 381217988 /nfs/dbraw/zinc/21/79/88/381217988.db2.gz OYKFZWPIFIBQJU-HUUCEWRRSA-N 0 3 299.480 2.878 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000347466582 381168947 /nfs/dbraw/zinc/16/89/47/381168947.db2.gz SDJVSWFDOCBLAB-IAQYHMDHSA-N 0 3 271.364 2.655 20 30 CFEDHN C=C(C)COCCNCc1ccnn1-c1ccc(F)cc1 ZINC000354418359 381253813 /nfs/dbraw/zinc/25/38/13/381253813.db2.gz LSICCRLFQVCBNV-UHFFFAOYSA-N 0 3 289.354 2.694 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000342257928 381233248 /nfs/dbraw/zinc/23/32/48/381233248.db2.gz YJKWGFCBJZKSAD-KBPBESRZSA-N 0 3 276.355 2.586 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1CCC ZINC000354388669 381240449 /nfs/dbraw/zinc/24/04/49/381240449.db2.gz NWXXVVFGRRCUIZ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@](CO)(CCC)C2)cc1 ZINC000289985788 381249592 /nfs/dbraw/zinc/24/95/92/381249592.db2.gz BVWOKXGDBNZUGS-SFHVURJKSA-N 0 3 287.403 2.683 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000354448264 381275261 /nfs/dbraw/zinc/27/52/61/381275261.db2.gz PNLGWIOAHJMXFS-HUUCEWRRSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183480556 381277350 /nfs/dbraw/zinc/27/73/50/381277350.db2.gz IWOYXOYQPUDNHE-HOTGVXAUSA-N 0 3 286.419 2.783 20 30 CFEDHN C#CCOc1ccc(CN[C@H](CC)c2cnn(C)c2)cc1 ZINC000296262037 381324639 /nfs/dbraw/zinc/32/46/39/381324639.db2.gz DHKPOGTWECNRRK-QGZVFWFLSA-N 0 3 283.375 2.673 20 30 CFEDHN C[C@H](C#N)CNC1CCN(CCc2ccc(F)cc2)CC1 ZINC000183818964 381325418 /nfs/dbraw/zinc/32/54/18/381325418.db2.gz IDHMUXQQHNHAIH-CQSZACIVSA-N 0 3 289.398 2.582 20 30 CFEDHN CC[C@@H](CC#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000183838796 381328611 /nfs/dbraw/zinc/32/86/11/381328611.db2.gz QDSLAQPRXXMUJM-LBPRGKRZSA-N 0 3 299.374 2.916 20 30 CFEDHN COc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccc1C#N ZINC000369707491 381317298 /nfs/dbraw/zinc/31/72/98/381317298.db2.gz SZJFYNWJXLOKTK-HNNXBMFYSA-N 0 3 296.374 2.670 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1cc(C#N)ccc1NC ZINC000359349495 381366085 /nfs/dbraw/zinc/36/60/85/381366085.db2.gz WGXYRMFFKSFFMN-CQSZACIVSA-N 0 3 288.395 2.705 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)CC[C@@H]1CCCO1 ZINC000342598258 381424043 /nfs/dbraw/zinc/42/40/43/381424043.db2.gz IWNREUBFLPSUET-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN CC(C)(C)[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000290450259 381433199 /nfs/dbraw/zinc/43/31/99/381433199.db2.gz VYLMXODPLPBWQY-MRXNPFEDSA-N 0 3 272.392 2.930 20 30 CFEDHN C=CCCCN(C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184564893 381434791 /nfs/dbraw/zinc/43/47/91/381434791.db2.gz CCKMXZWVTBJZSH-UHFFFAOYSA-N 0 3 274.368 2.782 20 30 CFEDHN C=CCOCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000347970296 381439772 /nfs/dbraw/zinc/43/97/72/381439772.db2.gz NIZUACOYWLAZNX-NSHDSACASA-N 0 3 251.292 2.853 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)C(F)F ZINC000296551428 381445337 /nfs/dbraw/zinc/44/53/37/381445337.db2.gz RNVNJHDGCOBYML-OXHMUOHRSA-N 0 3 286.297 2.753 20 30 CFEDHN Cc1cc(C#N)cc(N2CCN(C3CCCCC3)CC2)n1 ZINC000342687054 381478252 /nfs/dbraw/zinc/47/82/52/381478252.db2.gz ZNNSBVFMSCMJRQ-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN C=CCN(CCc1cnn(CC)c1)CCc1ccco1 ZINC000348288092 381480873 /nfs/dbraw/zinc/48/08/73/381480873.db2.gz KMTDQIHRSHZERM-UHFFFAOYSA-N 0 3 273.380 2.769 20 30 CFEDHN C[C@@H](CNc1cccnc1C#N)N1CCc2ccccc2C1 ZINC000290567259 381481547 /nfs/dbraw/zinc/48/15/47/381481547.db2.gz SUIXLUIRBXXQOB-AWEZNQCLSA-N 0 3 292.386 2.812 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000348036047 381454524 /nfs/dbraw/zinc/45/45/24/381454524.db2.gz PSCYRLDUZUFHJZ-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN C#Cc1ccc(CN[C@H](C)c2cn(C)nc2C)cc1 ZINC000290504568 381456459 /nfs/dbraw/zinc/45/64/59/381456459.db2.gz WSZJVPSDEMSWRB-GFCCVEGCSA-N 0 3 253.349 2.561 20 30 CFEDHN C=CCCN(C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000342738209 381509372 /nfs/dbraw/zinc/50/93/72/381509372.db2.gz UCTCRNJFMVUXCR-UHFFFAOYSA-N 0 3 276.380 2.587 20 30 CFEDHN C[C@@H](CNc1cccnc1C#N)N(C)Cc1ccccc1 ZINC000290661221 381512984 /nfs/dbraw/zinc/51/29/84/381512984.db2.gz PYGCMTZVMCATPW-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C=CCCN(C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000342717391 381495250 /nfs/dbraw/zinc/49/52/50/381495250.db2.gz FNVYFBHPKBESKW-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@H]1CN(Cc2cc(C#N)ccc2F)CCN(C2CC2)C1 ZINC000296680222 381503323 /nfs/dbraw/zinc/50/33/23/381503323.db2.gz IEDNEHPERMIFDU-ZDUSSCGKSA-N 0 3 287.382 2.613 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1nccc2ccccc21 ZINC000290781011 381548665 /nfs/dbraw/zinc/54/86/65/381548665.db2.gz TXRJHENLWSKBNZ-OCCSQVGLSA-N 0 3 256.349 2.822 20 30 CFEDHN COc1ccc2c(c1)[C@H](C)CN(CCCC#N)CC2 ZINC000370959118 381524132 /nfs/dbraw/zinc/52/41/32/381524132.db2.gz KGDKMTYUDQIEPW-CYBMUJFWSA-N 0 3 258.365 2.961 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000370975862 381528755 /nfs/dbraw/zinc/52/87/55/381528755.db2.gz HHDKXGDJUIVSEK-JSGCOSHPSA-N 0 3 288.391 2.783 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290717947 381528977 /nfs/dbraw/zinc/52/89/77/381528977.db2.gz YHMQNDCIZBAPTI-CQSZACIVSA-N 0 3 288.351 2.753 20 30 CFEDHN CCN1CCC[C@@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000413025530 381533859 /nfs/dbraw/zinc/53/38/59/381533859.db2.gz QHCIDVFXAZHPRM-LLVKDONJSA-N 0 3 298.312 2.868 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1ccc(C)nn1)C(C)C ZINC000414272801 381574361 /nfs/dbraw/zinc/57/43/61/381574361.db2.gz OBVRWYGMIPNZQJ-QGZVFWFLSA-N 0 3 288.439 2.573 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000290790644 381553713 /nfs/dbraw/zinc/55/37/13/381553713.db2.gz OIQXIJIBTINKPG-GWCFXTLKSA-N 0 3 286.335 2.504 20 30 CFEDHN C=CCC[C@H](C)NCC(=O)N1CCCc2ccccc21 ZINC000185192872 381558921 /nfs/dbraw/zinc/55/89/21/381558921.db2.gz IIMFPANTIIAQSW-AWEZNQCLSA-N 0 3 272.392 2.910 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)o1 ZINC000185196194 381561050 /nfs/dbraw/zinc/56/10/50/381561050.db2.gz IUHDOQHNDPLLLM-HUUCEWRRSA-N 0 3 262.353 2.835 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NCC(C)(C)CC#N)CO2 ZINC000414165080 381565857 /nfs/dbraw/zinc/56/58/57/381565857.db2.gz LEVXKXUZKGPYDU-CYBMUJFWSA-N 0 3 274.364 2.528 20 30 CFEDHN COc1cc(CN2CCCCC[C@H]2CCO)ccc1C#N ZINC000342823710 381569483 /nfs/dbraw/zinc/56/94/83/381569483.db2.gz NOORBSUYVHBTHF-INIZCTEOSA-N 0 3 288.391 2.694 20 30 CFEDHN C[C@@H]1CCC[C@@H](CN2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000355084555 381602382 /nfs/dbraw/zinc/60/23/82/381602382.db2.gz VMGAELIJAYNQNI-HZPDHXFCSA-N 0 3 298.434 2.902 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCC[C@H]1SCC ZINC000348478233 381584857 /nfs/dbraw/zinc/58/48/57/381584857.db2.gz LUXAFQRUDHGZIV-UONOGXRCSA-N 0 3 284.469 2.675 20 30 CFEDHN C=CC[C@@H](CC)NCc1ccc(S(C)(=O)=O)s1 ZINC000414450423 381587077 /nfs/dbraw/zinc/58/70/77/381587077.db2.gz XOZHGKWWHFBJBJ-SNVBAGLBSA-N 0 3 273.423 2.596 20 30 CFEDHN N#Cc1ccc(OCCN2CC3CCC2CC3)cc1 ZINC000371393804 381612590 /nfs/dbraw/zinc/61/25/90/381612590.db2.gz SYKFCTWXNRQIFW-UHFFFAOYSA-N 0 3 256.349 2.811 20 30 CFEDHN C=C(C)CN(CC[C@@H]1CCOC1)Cc1ccc(CO)o1 ZINC000348631696 381646782 /nfs/dbraw/zinc/64/67/82/381646782.db2.gz FRNVEQHNMUQXCH-CQSZACIVSA-N 0 3 279.380 2.577 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000355143270 381640722 /nfs/dbraw/zinc/64/07/22/381640722.db2.gz ZXYVQLFRSNEFIT-NZVBXONLSA-N 0 3 276.355 2.846 20 30 CFEDHN N#Cc1ccnc(N2CCC[C@@H]2CN2CCCC2)c1Cl ZINC000343037365 381657260 /nfs/dbraw/zinc/65/72/60/381657260.db2.gz IZJWLKPUWUYQSC-CYBMUJFWSA-N 0 3 290.798 2.671 20 30 CFEDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@H](C)C#N ZINC000185573768 381668799 /nfs/dbraw/zinc/66/87/99/381668799.db2.gz RHSLOHUFKNUEJI-VXGBXAGGSA-N 0 3 261.325 2.665 20 30 CFEDHN CCN1CCN(c2cc(C#N)c3ccccc3n2)[C@@H](C)C1 ZINC000343281165 381672136 /nfs/dbraw/zinc/67/21/36/381672136.db2.gz GRSWLJFGEVXHDU-ZDUSSCGKSA-N 0 3 280.375 2.637 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000343402897 381688453 /nfs/dbraw/zinc/68/84/53/381688453.db2.gz PAJKGANFHGONIE-IAGOWNOFSA-N 0 3 279.343 2.573 20 30 CFEDHN C=CCN1CCC(Cn2cc(Br)cn2)CC1 ZINC000371728110 381688672 /nfs/dbraw/zinc/68/86/72/381688672.db2.gz OITUOFUHKYCDER-UHFFFAOYSA-N 0 3 284.201 2.544 20 30 CFEDHN C=CCSCCNCc1cc(F)ccc1OC ZINC000291165997 381692916 /nfs/dbraw/zinc/69/29/16/381692916.db2.gz JCXXUKVIYCRCDS-UHFFFAOYSA-N 0 3 255.358 2.843 20 30 CFEDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)o1 ZINC000371799904 381703676 /nfs/dbraw/zinc/70/36/76/381703676.db2.gz WGCIOCVSINYCQO-ROUUACIJSA-N 0 3 295.386 2.859 20 30 CFEDHN CN(CC[C@H]1CCCO1)Cc1cc(C#N)cs1 ZINC000343468120 381734787 /nfs/dbraw/zinc/73/47/87/381734787.db2.gz LEPCJOIWGHYDCO-GFCCVEGCSA-N 0 3 250.367 2.621 20 30 CFEDHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000343468820 381735285 /nfs/dbraw/zinc/73/52/85/381735285.db2.gz MNDPOLRABJXMCE-HBNTYKKESA-N 0 3 250.317 2.771 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291321053 381747677 /nfs/dbraw/zinc/74/76/77/381747677.db2.gz STEQEHBYTSQTIZ-LJQANCHMSA-N 0 3 292.382 2.694 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000185838271 381751072 /nfs/dbraw/zinc/75/10/72/381751072.db2.gz SHEXYVHTYHWLCX-FUHWJXTLSA-N 0 3 298.430 2.959 20 30 CFEDHN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000355281983 381723763 /nfs/dbraw/zinc/72/37/63/381723763.db2.gz YBAGAEDGWBWZPG-WZRBSPASSA-N 0 3 262.328 2.915 20 30 CFEDHN CC#CCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000291863641 381781595 /nfs/dbraw/zinc/78/15/95/381781595.db2.gz PKTBGGVNCMLHPG-GOSISDBHSA-N 0 3 287.403 2.854 20 30 CFEDHN C=CCN(CC=C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355757836 381801050 /nfs/dbraw/zinc/80/10/50/381801050.db2.gz KPELOHGPJAEERH-QGZVFWFLSA-N 0 3 256.393 2.935 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952732 381786504 /nfs/dbraw/zinc/78/65/04/381786504.db2.gz WFWRUDLQMMLMBM-SJLPKXTDSA-N 0 3 284.403 2.742 20 30 CFEDHN CCN(CCNC(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 ZINC000355634273 381789408 /nfs/dbraw/zinc/78/94/08/381789408.db2.gz KNZLJDSYRHGKJT-MRXNPFEDSA-N 0 3 299.418 2.674 20 30 CFEDHN Cc1ccc(CN(CCO)CC(C)(C)CCC#N)o1 ZINC000355650948 381789644 /nfs/dbraw/zinc/78/96/44/381789644.db2.gz HXCZIJYYZOFANJ-UHFFFAOYSA-N 0 3 264.369 2.712 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1 ZINC000343552351 381791747 /nfs/dbraw/zinc/79/17/47/381791747.db2.gz OFUSAPSNJCJNEG-KRWDZBQOSA-N 0 3 280.375 2.786 20 30 CFEDHN CCN(C)C(=O)[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360883387 381793798 /nfs/dbraw/zinc/79/37/98/381793798.db2.gz JROPFRHVHCARTA-GUYCJALGSA-N 0 3 299.418 2.782 20 30 CFEDHN CC(C)CCN(CCC#N)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000360110054 381765064 /nfs/dbraw/zinc/76/50/64/381765064.db2.gz KAQZJAXPUAERMR-GJZGRUSLSA-N 0 3 279.428 2.648 20 30 CFEDHN CC#CCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000360142979 381766845 /nfs/dbraw/zinc/76/68/45/381766845.db2.gz YWXUXZRGSFHELK-APWZRJJASA-N 0 3 299.462 2.946 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC000298893649 381776386 /nfs/dbraw/zinc/77/63/86/381776386.db2.gz MMVVITYLLUNXAO-INIZCTEOSA-N 0 3 274.408 2.584 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000343529185 381777030 /nfs/dbraw/zinc/77/70/30/381777030.db2.gz MFLBGDWTPBMSIG-ZIAGYGMSSA-N 0 3 298.308 2.640 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)C[C@@H](C)CC ZINC000361345535 381821848 /nfs/dbraw/zinc/82/18/48/381821848.db2.gz JCKFNUKWJRXYMY-AWEZNQCLSA-N 0 3 252.402 2.555 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCCC[C@H]2C)C1=O ZINC000343595370 381823918 /nfs/dbraw/zinc/82/39/18/381823918.db2.gz ATACDVKORABCNB-KFWWJZLASA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@H]1[C@H](Nc2nc3c(cc2C#N)CCCC3)CCCN1C ZINC000343603243 381832191 /nfs/dbraw/zinc/83/21/91/381832191.db2.gz RPVFSHAJTUXUKB-SWLSCSKDSA-N 0 3 284.407 2.727 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CC1CCC1 ZINC000361480923 381834801 /nfs/dbraw/zinc/83/48/01/381834801.db2.gz HUEWADYBWDFAHE-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN CC#CCN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000372557006 381834865 /nfs/dbraw/zinc/83/48/65/381834865.db2.gz LFTDMCFBRHEMIN-BTTYYORXSA-N 0 3 278.396 2.530 20 30 CFEDHN CCN(CC1CCC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361481879 381836637 /nfs/dbraw/zinc/83/66/37/381836637.db2.gz RTZYYVPVACUWJY-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN(C3CCC3)C[C@@H](C)C2)n1 ZINC000292412899 381803425 /nfs/dbraw/zinc/80/34/25/381803425.db2.gz VVDVKWONMJZPSK-CYBMUJFWSA-N 0 3 284.407 2.572 20 30 CFEDHN C#CCCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000372895845 381887183 /nfs/dbraw/zinc/88/71/83/381887183.db2.gz QMVOPWYYSFAJIO-UHFFFAOYSA-N 0 3 298.430 2.833 20 30 CFEDHN C=CCN(CCOC)CCOc1cccc(Cl)c1 ZINC000362002759 381878371 /nfs/dbraw/zinc/87/83/71/381878371.db2.gz SHPLCXXWQBYUDI-UHFFFAOYSA-N 0 3 269.772 2.853 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2C(C)=CCC[C@H]2C)C1=O ZINC000343625515 381850127 /nfs/dbraw/zinc/85/01/27/381850127.db2.gz RLYSTLFCTVCKDW-OAGGEKHMSA-N 0 3 276.424 2.698 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000361622019 381851435 /nfs/dbraw/zinc/85/14/35/381851435.db2.gz YEUKALUFLQYEBY-HNNXBMFYSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CC1 ZINC000361806913 381862958 /nfs/dbraw/zinc/86/29/58/381862958.db2.gz POXQKDPAANCBKN-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000292850809 381864559 /nfs/dbraw/zinc/86/45/59/381864559.db2.gz BXSFGKHPZNXECF-GFCCVEGCSA-N 0 3 257.312 2.685 20 30 CFEDHN Cc1ncccc1O[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000372814029 381873159 /nfs/dbraw/zinc/87/31/59/381873159.db2.gz IHJIJNRCUXZNRG-KRWDZBQOSA-N 0 3 293.370 2.915 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000416017956 381873090 /nfs/dbraw/zinc/87/30/90/381873090.db2.gz WEEFDQAUNWUHOU-UHFFFAOYSA-N 0 3 259.353 2.624 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@H](O)COC(C)C ZINC000299377993 381915469 /nfs/dbraw/zinc/91/54/69/381915469.db2.gz OMSAJLSHCQICAF-QGZVFWFLSA-N 0 3 277.408 2.503 20 30 CFEDHN C=CCOCCCN1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343736019 381916174 /nfs/dbraw/zinc/91/61/74/381916174.db2.gz HGWQAHSZSQKJSZ-CVEARBPZSA-N 0 3 279.355 2.526 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000349400595 381925002 /nfs/dbraw/zinc/92/50/02/381925002.db2.gz DFGILLWSTYNITG-MJVIPROJSA-N 0 3 272.352 2.520 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186369617 381892831 /nfs/dbraw/zinc/89/28/31/381892831.db2.gz IDJBLACYNVSUTN-CVEARBPZSA-N 0 3 296.455 2.594 20 30 CFEDHN CCN1CCC(N(C)C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000362229239 381966275 /nfs/dbraw/zinc/96/62/75/381966275.db2.gz CREISOAYHGRAPT-AWEZNQCLSA-N 0 3 299.418 2.604 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCCOC(C)C)cc1 ZINC000186641121 381971836 /nfs/dbraw/zinc/97/18/36/381971836.db2.gz AVLMAVNVEQXLMV-AWEZNQCLSA-N 0 3 261.365 2.774 20 30 CFEDHN C=CCOCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000293137592 382003487 /nfs/dbraw/zinc/00/34/87/382003487.db2.gz QFARUMJIBSXHCW-UHFFFAOYSA-N 0 3 286.375 2.604 20 30 CFEDHN C=CCN(Cc1ccc(OCC(=O)OCC)cc1)C1CC1 ZINC000350263644 382009935 /nfs/dbraw/zinc/00/99/35/382009935.db2.gz JDPYGTJPTJELDM-UHFFFAOYSA-N 0 3 289.375 2.779 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccc2c(c1)OCO2 ZINC000343856668 381985411 /nfs/dbraw/zinc/98/54/11/381985411.db2.gz SWKSGOYGGBZJFG-UHFFFAOYSA-N 0 3 298.342 2.947 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000351509494 382041942 /nfs/dbraw/zinc/04/19/42/382041942.db2.gz AXXJSUPLKJYVDT-CMPLNLGQSA-N 0 3 284.281 2.826 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000351509498 382042459 /nfs/dbraw/zinc/04/24/59/382042459.db2.gz AXXJSUPLKJYVDT-ZYHUDNBSSA-N 0 3 284.281 2.826 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000351528457 382042816 /nfs/dbraw/zinc/04/28/16/382042816.db2.gz DMISTELYGNZWFL-JGVFFNPUSA-N 0 3 250.264 2.629 20 30 CFEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccc(C)o2)s1 ZINC000351603330 382047658 /nfs/dbraw/zinc/04/76/58/382047658.db2.gz KFUPXONFTDYKRO-NSHDSACASA-N 0 3 278.377 2.738 20 30 CFEDHN C=CCC[C@@H](O)CN(C)CCOc1cccc(Cl)c1 ZINC000351639919 382049337 /nfs/dbraw/zinc/04/93/37/382049337.db2.gz RWNWFNCJBFAPGS-CQSZACIVSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCCCCNC(=O)NCCN1CCCC[C@@H]1CC ZINC000351685195 382055209 /nfs/dbraw/zinc/05/52/09/382055209.db2.gz MJFYMPORVMRRBV-HNNXBMFYSA-N 0 3 281.444 2.906 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccccc2)C[C@H]1C ZINC000343995231 382056014 /nfs/dbraw/zinc/05/60/14/382056014.db2.gz BWUNQJMCMAFOSF-NFAWXSAZSA-N 0 3 256.349 2.941 20 30 CFEDHN C=C(C)CCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000351750771 382060280 /nfs/dbraw/zinc/06/02/80/382060280.db2.gz AXJOHGBQWRIRRW-AWEZNQCLSA-N 0 3 266.772 2.596 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCCC2(CC2)C1 ZINC000186970762 382062408 /nfs/dbraw/zinc/06/24/08/382062408.db2.gz QIOQJJOYSNEYMD-UHFFFAOYSA-N 0 3 286.375 2.822 20 30 CFEDHN C=CCN(CC(=O)N(C)C(C)C)CC1CCCCC1 ZINC000351865204 382067748 /nfs/dbraw/zinc/06/77/48/382067748.db2.gz MGWKEPXBZDYKLH-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(Br)CN1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000374071017 382033501 /nfs/dbraw/zinc/03/35/01/382033501.db2.gz WPWXKAVQPNMORI-OLZOCXBDSA-N 0 3 287.245 2.842 20 30 CFEDHN N#Cc1cccc(OCCN2CCCC3(CC3)C2)c1 ZINC000186990487 382068425 /nfs/dbraw/zinc/06/84/25/382068425.db2.gz ACQLHNMMLVYOJT-UHFFFAOYSA-N 0 3 256.349 2.813 20 30 CFEDHN CCC(CC)N(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000344031089 382077996 /nfs/dbraw/zinc/07/79/96/382077996.db2.gz PCJUBFHTKIBCJQ-ZDUSSCGKSA-N 0 3 267.417 2.505 20 30 CFEDHN C#CCNC(=O)CCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000293320697 382078342 /nfs/dbraw/zinc/07/83/42/382078342.db2.gz CGHLSLSPMNCIPY-UHFFFAOYSA-N 0 3 299.201 2.565 20 30 CFEDHN N#CC1(CCCN2CCOCC23CCCC3)CCOCC1 ZINC000375613968 382093351 /nfs/dbraw/zinc/09/33/51/382093351.db2.gz SRTBJSWOVCFEDI-UHFFFAOYSA-N 0 3 292.423 2.732 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(CC#N)C2CC2)cc1)C1CC1 ZINC000357403063 382153777 /nfs/dbraw/zinc/15/37/77/382153777.db2.gz JMHMUBMSVFTBFT-UHFFFAOYSA-N 0 3 297.402 2.799 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNCc1ccc(C#N)o1 ZINC000344226981 382213085 /nfs/dbraw/zinc/21/30/85/382213085.db2.gz UKAYCLVJWGBYBR-BETUJISGSA-N 0 3 261.369 2.504 20 30 CFEDHN C=CCN(Cc1ccon1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363217514 382229067 /nfs/dbraw/zinc/22/90/67/382229067.db2.gz YFSBYXDHYRWRCJ-SFHVURJKSA-N 0 3 297.402 2.937 20 30 CFEDHN CN1CC[C@@H](CNc2cnc(C#N)cn2)[C@H]1c1cccs1 ZINC000376909437 382190477 /nfs/dbraw/zinc/19/04/77/382190477.db2.gz DDSUVEVQHYLCFE-NHYWBVRUSA-N 0 3 299.403 2.515 20 30 CFEDHN C[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000293788192 382280558 /nfs/dbraw/zinc/28/05/58/382280558.db2.gz MITYQCFNZCWOAM-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN Cc1cccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000345107960 382283636 /nfs/dbraw/zinc/28/36/36/382283636.db2.gz DWHGGSBOJGTSLO-HUUCEWRRSA-N 0 3 299.418 2.905 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345113672 382285691 /nfs/dbraw/zinc/28/56/91/382285691.db2.gz PWKCSZWIAVYHEN-DZGCQCFKSA-N 0 3 285.391 2.678 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCCC2=O)CC1 ZINC000187677041 382244905 /nfs/dbraw/zinc/24/49/05/382244905.db2.gz LNLFTEBWNWTXMS-AWEZNQCLSA-N 0 3 297.402 2.706 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000363814381 382248360 /nfs/dbraw/zinc/24/83/60/382248360.db2.gz GXBUTAXRWRJUQT-HKUYNNGSSA-N 0 3 298.430 2.914 20 30 CFEDHN C=CC(C)(C)CN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000419228319 382250613 /nfs/dbraw/zinc/25/06/13/382250613.db2.gz MDPASWUSHRMULR-OAHLLOKOSA-N 0 3 272.392 2.808 20 30 CFEDHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000364019089 382252842 /nfs/dbraw/zinc/25/28/42/382252842.db2.gz HHFBFVDEDCNERT-QZTJIDSGSA-N 0 3 297.402 2.534 20 30 CFEDHN CCC(=O)CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000377386411 382258948 /nfs/dbraw/zinc/25/89/48/382258948.db2.gz OBFWRCZNEOWVPY-UHFFFAOYSA-N 0 3 286.375 2.771 20 30 CFEDHN C[C@H]1[C@@H](C)N([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000419373634 382302289 /nfs/dbraw/zinc/30/22/89/382302289.db2.gz ONPHCDZAPTVWQM-VMUDFCTBSA-N 0 3 297.402 2.640 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]1C(F)F ZINC000345803738 382314505 /nfs/dbraw/zinc/31/45/05/382314505.db2.gz KWQHBQQHWZXWDP-YNEHKIRRSA-N 0 3 278.302 2.529 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000188011676 382324537 /nfs/dbraw/zinc/32/45/37/382324537.db2.gz FEWPNLSBQHKCJH-CXAGYDPISA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccc(C#N)cc2F)C1 ZINC000188019903 382325837 /nfs/dbraw/zinc/32/58/37/382325837.db2.gz IVRRJDWOHDTJEN-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1c(C#N)cccc1C#N ZINC000302824375 382327920 /nfs/dbraw/zinc/32/79/20/382327920.db2.gz GGWRSFIWDGBJCS-CYBMUJFWSA-N 0 3 268.364 2.716 20 30 CFEDHN C=CCOCCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352431414 382330434 /nfs/dbraw/zinc/33/04/34/382330434.db2.gz LDLWTEHPSCXQKV-LSDHHAIUSA-N 0 3 265.397 2.613 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(C)s2)CC1 ZINC000302875853 382340305 /nfs/dbraw/zinc/34/03/05/382340305.db2.gz FUYGLGKLBPJUOQ-UHFFFAOYSA-N 0 3 251.399 2.904 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(-c2ccccc2)o1 ZINC000293932436 382342242 /nfs/dbraw/zinc/34/22/42/382342242.db2.gz IBJZTWWYUQQSSH-UHFFFAOYSA-N 0 3 296.370 2.632 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCCC[C@@H]1CC ZINC000352457266 382342811 /nfs/dbraw/zinc/34/28/11/382342811.db2.gz VNZVPKMKRBRGRU-DOTOQJQBSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](O)CC2)cc1OC ZINC000293824556 382294718 /nfs/dbraw/zinc/29/47/18/382294718.db2.gz AHDQEGHDDGXNTO-HNNXBMFYSA-N 0 3 291.391 2.607 20 30 CFEDHN COC(=O)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000377995127 382382143 /nfs/dbraw/zinc/38/21/43/382382143.db2.gz LGFXNOHUXQHIEI-IUODEOHRSA-N 0 3 286.375 2.750 20 30 CFEDHN C=CCC(C)(C)CNCc1cc(C(=O)OC)co1 ZINC000294059617 382398373 /nfs/dbraw/zinc/39/83/73/382398373.db2.gz XRAVISRVLAJWII-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OCCC)c(OCC)c1 ZINC000352465475 382347565 /nfs/dbraw/zinc/34/75/65/382347565.db2.gz KILICZGLGBBLNI-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN Cc1nc([C@@H]2CCCN(CCCC(C)(C)C#N)C2)no1 ZINC000365716795 382433070 /nfs/dbraw/zinc/43/30/70/382433070.db2.gz DRGCOCJZAKZQEJ-CYBMUJFWSA-N 0 3 276.384 2.887 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCC[C@@H]1O ZINC000352667513 382442438 /nfs/dbraw/zinc/44/24/38/382442438.db2.gz KXIPAQRHDOWFKP-OLZOCXBDSA-N 0 3 296.317 2.505 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000305047868 382421229 /nfs/dbraw/zinc/42/12/29/382421229.db2.gz BKDUPQAZIZLSSP-QGZVFWFLSA-N 0 3 280.456 2.511 20 30 CFEDHN C=C(C)CN(CCc1cccnc1)Cc1ccc(CO)o1 ZINC000352795733 382472842 /nfs/dbraw/zinc/47/28/42/382472842.db2.gz DXNRYFUNECVQLL-UHFFFAOYSA-N 0 3 286.375 2.788 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCCCC)CC1 ZINC000358161422 382477596 /nfs/dbraw/zinc/47/75/96/382477596.db2.gz UICFRRVYADFHPQ-UHFFFAOYSA-N 0 3 267.417 2.516 20 30 CFEDHN C[C@H](C[C@@H]1CCCO1)NCc1ccc(C#N)cc1F ZINC000358175763 382488064 /nfs/dbraw/zinc/48/80/64/382488064.db2.gz MWGFJHCTRKIOMV-RISCZKNCSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccccc1Br ZINC000309490201 382489222 /nfs/dbraw/zinc/48/92/22/382489222.db2.gz IHCAEGCILKSRFK-LLVKDONJSA-N 0 3 284.197 2.723 20 30 CFEDHN CC#CCCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366532986 382525235 /nfs/dbraw/zinc/52/52/35/382525235.db2.gz GORRZLCDNZUBPD-HUUCEWRRSA-N 0 3 292.423 2.731 20 30 CFEDHN C[C@H]1CN(CCCSCC#N)Cc2ccccc2O1 ZINC000366535224 382526614 /nfs/dbraw/zinc/52/66/14/382526614.db2.gz NOQAJQDZJRNFSA-ZDUSSCGKSA-N 0 3 276.405 2.916 20 30 CFEDHN C[C@@H]1CN(CCCSCC#N)Cc2ccccc2O1 ZINC000366535223 382526913 /nfs/dbraw/zinc/52/69/13/382526913.db2.gz NOQAJQDZJRNFSA-CYBMUJFWSA-N 0 3 276.405 2.916 20 30 CFEDHN C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCCN1CCCC#N ZINC000420926286 382499465 /nfs/dbraw/zinc/49/94/65/382499465.db2.gz MYMYHHSMIDKSRX-CHWSQXEVSA-N 0 3 266.385 2.732 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420941962 382500826 /nfs/dbraw/zinc/50/08/26/382500826.db2.gz GMHPHYZKZGPIRR-VXGBXAGGSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(F)c(F)c(F)c1 ZINC000320601220 382538980 /nfs/dbraw/zinc/53/89/80/382538980.db2.gz ACSGKAOEXLGHEQ-JTQLQIEISA-N 0 3 259.271 2.521 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN(CC)C[C@H](C)C#N ZINC000346869983 382553044 /nfs/dbraw/zinc/55/30/44/382553044.db2.gz KQACZUMKYGOXNX-CYBMUJFWSA-N 0 3 268.401 2.837 20 30 CFEDHN CC(=O)Nc1ccn([C@@H]2CCN(Cc3cccs3)C2)n1 ZINC000328640547 382557965 /nfs/dbraw/zinc/55/79/65/382557965.db2.gz XLDPKIFKSJLZLE-GFCCVEGCSA-N 0 3 290.392 3.000 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353567669 382561887 /nfs/dbraw/zinc/56/18/87/382561887.db2.gz HGTHGQAMPQLEMR-NHYWBVRUSA-N 0 3 261.365 2.554 20 30 CFEDHN C[C@@H](NCC1(CO)CCC1)c1ccc(C#N)c(F)c1 ZINC000346891090 382562296 /nfs/dbraw/zinc/56/22/96/382562296.db2.gz WDSZYTXMDYAYEU-LLVKDONJSA-N 0 3 262.328 2.511 20 30 CFEDHN N#CC(C(=O)c1ccccc1OC1CCC1)c1ccncn1 ZINC000680617688 542342813 /nfs/dbraw/zinc/34/28/13/542342813.db2.gz BAEKLYCEBNPMEJ-CQSZACIVSA-N 0 3 293.326 2.898 20 30 CFEDHN C#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000367360697 382565425 /nfs/dbraw/zinc/56/54/25/382565425.db2.gz JWZXEVMYKHQPQW-UHFFFAOYSA-N 0 3 296.414 2.549 20 30 CFEDHN C#Cc1ccc(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)cc1 ZINC000367377285 382566850 /nfs/dbraw/zinc/56/68/50/382566850.db2.gz IWYZRDWQJDGMQI-IBGZPJMESA-N 0 3 299.414 2.828 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000320226718 382536243 /nfs/dbraw/zinc/53/62/43/382536243.db2.gz HTFYKTCCVQXREJ-AAEUAGOBSA-N 0 3 267.344 2.812 20 30 CFEDHN CN1CC=C(CNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000392764826 382622433 /nfs/dbraw/zinc/62/24/33/382622433.db2.gz FLTSKASBZBLUEB-UHFFFAOYSA-N 0 3 296.296 2.646 20 30 CFEDHN CC(C)OCCCN(C)Cc1ccc(C#N)s1 ZINC000353743469 382622628 /nfs/dbraw/zinc/62/26/28/382622628.db2.gz XIOIIQOEYYTENW-UHFFFAOYSA-N 0 3 252.383 2.867 20 30 CFEDHN CCc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000189594689 382628297 /nfs/dbraw/zinc/62/82/97/382628297.db2.gz NNGRIQSXMMYGBC-UHFFFAOYSA-N 0 3 253.349 2.749 20 30 CFEDHN CC1(C)OCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000295197265 382579617 /nfs/dbraw/zinc/57/96/17/382579617.db2.gz KGYIHMRTNYDFOX-AWEZNQCLSA-N 0 3 263.768 2.849 20 30 CFEDHN C[C@]1(CNCCC#N)CCCN1Cc1ccccc1 ZINC000397995420 382634941 /nfs/dbraw/zinc/63/49/41/382634941.db2.gz RKQFGOWNTQMGON-MRXNPFEDSA-N 0 3 257.381 2.544 20 30 CFEDHN C[C@@](O)(CCNCc1ccc(C#N)o1)c1ccccc1 ZINC000189830656 382642330 /nfs/dbraw/zinc/64/23/30/382642330.db2.gz KFRZBFJWDJGQMV-MRXNPFEDSA-N 0 3 270.332 2.539 20 30 CFEDHN C=CCC[C@@H](O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190978283 382687187 /nfs/dbraw/zinc/68/71/87/382687187.db2.gz ITKSZJJNKJUTMN-CQSZACIVSA-N 0 3 267.413 2.737 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCSC[C@H](C)C1 ZINC000190486630 382670839 /nfs/dbraw/zinc/67/08/39/382670839.db2.gz WGOYDZAGLUIJOV-GFCCVEGCSA-N 0 3 276.405 2.752 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)n(C)c1)c1ccncc1 ZINC000191184490 382694659 /nfs/dbraw/zinc/69/46/59/382694659.db2.gz ZQZLKGWHRGZUSC-OAHLLOKOSA-N 0 3 254.337 2.533 20 30 CFEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(OC)cc1 ZINC000191233635 382696886 /nfs/dbraw/zinc/69/68/86/382696886.db2.gz NCKODAUQIQMHIX-UHFFFAOYSA-N 0 3 283.375 2.927 20 30 CFEDHN COc1ccc([C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191298516 382697944 /nfs/dbraw/zinc/69/79/44/382697944.db2.gz DFHVCBIQUNVJLV-INIZCTEOSA-N 0 3 295.386 2.895 20 30 CFEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434685 382700414 /nfs/dbraw/zinc/70/04/14/382700414.db2.gz POGHMMLOVIDMAI-ZBFHGGJFSA-N 0 3 275.396 2.532 20 30 CFEDHN COc1cc(C)cc(CNCc2cc(C#N)n(C)c2)c1 ZINC000191466130 382700742 /nfs/dbraw/zinc/70/07/42/382700742.db2.gz IZQHPOBNMHFZDI-UHFFFAOYSA-N 0 3 269.348 2.504 20 30 CFEDHN C[C@H](C[C@@H](O)c1cccs1)NCc1cc(C#N)n(C)c1 ZINC000191516565 382701190 /nfs/dbraw/zinc/70/11/90/382701190.db2.gz WSSQFSNMFPPZDG-BXUZGUMPSA-N 0 3 289.404 2.560 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2CC)CCC1 ZINC000191569794 382701411 /nfs/dbraw/zinc/70/14/11/382701411.db2.gz OYYYPJDUDKRHLT-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCCCC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000192036870 382704344 /nfs/dbraw/zinc/70/43/44/382704344.db2.gz NVPMWGFOPCLRLV-UHFFFAOYSA-N 0 3 286.419 2.900 20 30 CFEDHN Cn1ccnc1C[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192136453 382704905 /nfs/dbraw/zinc/70/49/05/382704905.db2.gz UWHWOBWZRXBXBS-GOSISDBHSA-N 0 3 293.414 2.726 20 30 CFEDHN CC(C)(C)[C@@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000193096579 382715598 /nfs/dbraw/zinc/71/55/98/382715598.db2.gz LLLKDMMOQCQZHQ-CQSZACIVSA-N 0 3 265.784 2.688 20 30 CFEDHN C=CCN(CCCc1ccc2c(c1)CCO2)CCOC ZINC000193331251 382718775 /nfs/dbraw/zinc/71/87/75/382718775.db2.gz VIXQTIWKTMLLJC-UHFFFAOYSA-N 0 3 275.392 2.689 20 30 CFEDHN CC[C@H](C)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000336826526 382724139 /nfs/dbraw/zinc/72/41/39/382724139.db2.gz QNNRBZAMJAYYOG-HNNXBMFYSA-N 0 3 271.408 2.722 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2cccs2)C1=O ZINC000337124878 382763629 /nfs/dbraw/zinc/76/36/29/382763629.db2.gz DHBXNOMOOOUJBY-QWHCGFSZSA-N 0 3 276.405 2.672 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2cccs2)C1=O ZINC000337124880 382763690 /nfs/dbraw/zinc/76/36/90/382763690.db2.gz DHBXNOMOOOUJBY-STQMWFEESA-N 0 3 276.405 2.672 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(CCC(C)C)CC2)C1=O ZINC000337128545 382764780 /nfs/dbraw/zinc/76/47/80/382764780.db2.gz ASELDGMVYDKNJY-MRXNPFEDSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H](C(C)(C)C)CC2)C1=O ZINC000337182676 382772682 /nfs/dbraw/zinc/77/26/82/382772682.db2.gz MYFHGWMQCBYZIW-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN CC[C@@]1(C)COCCN1CCCC1(C#N)CCOCC1 ZINC000337193611 382774309 /nfs/dbraw/zinc/77/43/09/382774309.db2.gz VPOGEGYJRXFCPQ-HNNXBMFYSA-N 0 3 280.412 2.588 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@@H](CC)Cc2ccccc2)C1=O ZINC000337198276 382775023 /nfs/dbraw/zinc/77/50/23/382775023.db2.gz YBDXTGPJCFEPJQ-IRXDYDNUSA-N 0 3 286.419 2.726 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@H](CC)Cc2ccccc2)C1=O ZINC000337198277 382775084 /nfs/dbraw/zinc/77/50/84/382775084.db2.gz YBDXTGPJCFEPJQ-SJORKVTESA-N 0 3 286.419 2.726 20 30 CFEDHN C=C(C)CN(CCN1CCOC[C@@H]1C)Cc1ccccc1 ZINC000337234704 382781974 /nfs/dbraw/zinc/78/19/74/382781974.db2.gz LCAVYOVKOCYFCK-KRWDZBQOSA-N 0 3 288.435 2.785 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2OC(F)F)o1 ZINC000337277129 382792184 /nfs/dbraw/zinc/79/21/84/382792184.db2.gz GRDRMZNBTLVKDS-NEPJUHHUSA-N 0 3 270.279 2.791 20 30 CFEDHN C[C@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575991996 382806615 /nfs/dbraw/zinc/80/66/15/382806615.db2.gz LOKMRPWMCJLGTN-QWRGUYRKSA-N 0 3 259.309 2.839 20 30 CFEDHN C=CCCC[C@H](C)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337391436 382814773 /nfs/dbraw/zinc/81/47/73/382814773.db2.gz HMQIXZOTDYIIDW-KBPBESRZSA-N 0 3 273.442 2.630 20 30 CFEDHN N#Cc1cnn2cc(CN3CC[C@@H](C4CCCC4)C3)cnc12 ZINC000576584992 382828358 /nfs/dbraw/zinc/82/83/58/382828358.db2.gz XLJPUSFVRXNGPP-OAHLLOKOSA-N 0 3 295.390 2.613 20 30 CFEDHN CC(C)(C)OC(=O)NCC1CCN(CCCC#N)CC1 ZINC000493879918 382907076 /nfs/dbraw/zinc/90/70/76/382907076.db2.gz GEMAHBLMYWIGPO-UHFFFAOYSA-N 0 3 281.400 2.527 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441356702 382908536 /nfs/dbraw/zinc/90/85/36/382908536.db2.gz LNOASUADWBXLIK-IAGOWNOFSA-N 0 3 286.419 2.865 20 30 CFEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C)C1 ZINC000337697587 382856549 /nfs/dbraw/zinc/85/65/49/382856549.db2.gz UNHCVMZEWGGNQN-KRIMKBQASA-N 0 3 291.439 2.648 20 30 CFEDHN C#CCCN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000494064012 382909222 /nfs/dbraw/zinc/90/92/22/382909222.db2.gz CWSAVCPUUWQOER-UONOGXRCSA-N 0 3 280.412 2.777 20 30 CFEDHN C#CCSCCN[C@@H]1CCCc2ccc(O)cc21 ZINC000231935050 382867985 /nfs/dbraw/zinc/86/79/85/382867985.db2.gz LYWYCGCBMFDIIV-OAHLLOKOSA-N 0 3 261.390 2.726 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCC2)s1 ZINC000337816034 382868244 /nfs/dbraw/zinc/86/82/44/382868244.db2.gz OMVXUJGEIVHMMY-GFCCVEGCSA-N 0 3 264.394 2.651 20 30 CFEDHN N#Cc1cnn2cc(CN[C@H]3C[C@@H]3C3CCCCC3)cnc12 ZINC000577850735 382872959 /nfs/dbraw/zinc/87/29/59/382872959.db2.gz IRLANHGQYFEZEU-CVEARBPZSA-N 0 3 295.390 2.659 20 30 CFEDHN COc1cc(CN(C)C[C@@H]2CCCCO2)ccc1C#N ZINC000234923115 382875241 /nfs/dbraw/zinc/87/52/41/382875241.db2.gz LEMVDWXVSKYPCD-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC1(C)C)C(C)C ZINC000577927476 382875437 /nfs/dbraw/zinc/87/54/37/382875437.db2.gz DGXVGROKBPWFHP-HNNXBMFYSA-N 0 3 293.455 2.879 20 30 CFEDHN C[C@H]1OCC[C@@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000494216273 382911068 /nfs/dbraw/zinc/91/10/68/382911068.db2.gz NIUBBCBSLUXADA-IUODEOHRSA-N 0 3 263.768 2.849 20 30 CFEDHN C=CC[C@@H](C(=O)NCCN1CCCC1)c1ccccc1 ZINC000494919763 382941535 /nfs/dbraw/zinc/94/15/35/382941535.db2.gz CSPDOAXNAIVIAC-MRXNPFEDSA-N 0 3 272.392 2.558 20 30 CFEDHN CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442712704 382947728 /nfs/dbraw/zinc/94/77/28/382947728.db2.gz GYGPWQVBGXUNQW-NVXWUHKLSA-N 0 3 299.418 2.950 20 30 CFEDHN CCN(CC)C(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442712708 382948468 /nfs/dbraw/zinc/94/84/68/382948468.db2.gz GYGPWQVBGXUNQW-WBVHZDCISA-N 0 3 299.418 2.950 20 30 CFEDHN Cc1cc(C)cc(OCCN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442765368 382953026 /nfs/dbraw/zinc/95/30/26/382953026.db2.gz JJUBWTXZEYAGQF-LSDHHAIUSA-N 0 3 258.365 2.964 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(-n3ccnc3)c2)C1 ZINC000442785308 382956842 /nfs/dbraw/zinc/95/68/42/382956842.db2.gz VGDZXEHZUUJSBX-UKRRQHHQSA-N 0 3 266.348 2.654 20 30 CFEDHN COC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000442864076 382962162 /nfs/dbraw/zinc/96/21/62/382962162.db2.gz YLDOFYNQXZRTKF-CQDKDKBSSA-N 0 3 262.328 2.795 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000533942317 382914254 /nfs/dbraw/zinc/91/42/54/382914254.db2.gz ZHKUKUOVZKCJLP-HOTGVXAUSA-N 0 3 286.419 2.804 20 30 CFEDHN C[C@@H]1C[C@@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441429287 382914546 /nfs/dbraw/zinc/91/45/46/382914546.db2.gz OMGXSGRXBHKLDZ-VXGBXAGGSA-N 0 3 282.347 2.839 20 30 CFEDHN C=C(C)COCCN[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000494593604 382914712 /nfs/dbraw/zinc/91/47/12/382914712.db2.gz YKHWLOIPWIWQHL-GOEBONIOSA-N 0 3 263.381 2.945 20 30 CFEDHN Cn1cc([C@H](N[C@@H]2CC[C@H](C#N)C2)C(C)(C)C)cn1 ZINC000442882935 382963094 /nfs/dbraw/zinc/96/30/94/382963094.db2.gz SVMKHWRWRKBHIM-YUTCNCBUSA-N 0 3 260.385 2.789 20 30 CFEDHN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)C(C)C#N)c(C)c1 ZINC000442184464 382931061 /nfs/dbraw/zinc/93/10/61/382931061.db2.gz BXFKDADCVXVEPY-GOEBONIOSA-N 0 3 296.374 2.517 20 30 CFEDHN CC(C#N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000578540747 382931829 /nfs/dbraw/zinc/93/18/29/382931829.db2.gz JFVJZRIXCLXNPV-VXGBXAGGSA-N 0 3 291.782 2.537 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](CC)c2ccn(C)n2)CC1 ZINC000544570218 382974472 /nfs/dbraw/zinc/97/44/72/382974472.db2.gz NQNVNCSMGOBGQL-HNNXBMFYSA-N 0 3 276.428 2.501 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC=CCC1 ZINC000544108689 382974825 /nfs/dbraw/zinc/97/48/25/382974825.db2.gz COOSXIYULQDKRP-OAHLLOKOSA-N 0 3 289.423 2.617 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000444754552 382979845 /nfs/dbraw/zinc/97/98/45/382979845.db2.gz TWXOLPRLPQEAPA-UXLLHSPISA-N 0 3 293.455 2.797 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NCC2CCC2)CCCC1(C)C ZINC000444783541 382981988 /nfs/dbraw/zinc/98/19/88/382981988.db2.gz KXZUKDBRQQBJMW-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cncc(Br)c1 ZINC000579129746 382986624 /nfs/dbraw/zinc/98/66/24/382986624.db2.gz JSUMMQHIXNOCTK-GHMZBOCLSA-N 0 3 299.212 2.679 20 30 CFEDHN CC(C)[C@@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000446732422 382991682 /nfs/dbraw/zinc/99/16/82/382991682.db2.gz RFHQAUNFTCQEQC-HUUCEWRRSA-N 0 3 291.439 2.695 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C#N)c(C)c2)CCCC1 ZINC000338327661 382993222 /nfs/dbraw/zinc/99/32/22/382993222.db2.gz GSBRRPDFATXFPV-UHFFFAOYSA-N 0 3 286.375 2.832 20 30 CFEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccc(C#N)cn3)C2)C1 ZINC000579242752 382996789 /nfs/dbraw/zinc/99/67/89/382996789.db2.gz NXYUNHLGNJKBAE-CZUORRHYSA-N 0 3 255.365 2.965 20 30 CFEDHN CN(C)C(=O)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000447539120 382997098 /nfs/dbraw/zinc/99/70/98/382997098.db2.gz FROPLDARJDJIEP-UAGQMJEPSA-N 0 3 299.418 2.878 20 30 CFEDHN C=CCOCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495590667 382999451 /nfs/dbraw/zinc/99/94/51/382999451.db2.gz DIHXAGTUWOYQEQ-KGLIPLIRSA-N 0 3 298.427 2.567 20 30 CFEDHN CC[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245520004 383004352 /nfs/dbraw/zinc/00/43/52/383004352.db2.gz JEFJBZNJNSDABP-PBHICJAKSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000579349184 383006120 /nfs/dbraw/zinc/00/61/20/383006120.db2.gz DLQXRRNTXNNKNV-RDBSUJKOSA-N 0 3 280.412 2.978 20 30 CFEDHN N#CCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000541954394 382967859 /nfs/dbraw/zinc/96/78/59/382967859.db2.gz MYXKNZOJEZBTGU-UHFFFAOYSA-N 0 3 269.348 2.563 20 30 CFEDHN C=CCCCNC(=O)NCCN1CCCC[C@@H]1CC ZINC000447954584 383034668 /nfs/dbraw/zinc/03/46/68/383034668.db2.gz LXYWEZVIVAWXSX-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)Cc2ccc(C#N)s2)C1 ZINC000579608559 383035565 /nfs/dbraw/zinc/03/55/65/383035565.db2.gz WJRYPNHPKOFYLZ-SMDDNHRTSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccc(C#N)s2)C1 ZINC000579608556 383035687 /nfs/dbraw/zinc/03/56/87/383035687.db2.gz WJRYPNHPKOFYLZ-BXUZGUMPSA-N 0 3 264.394 2.603 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447987834 383036574 /nfs/dbraw/zinc/03/65/74/383036574.db2.gz FGBSJVFQTNPCEY-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C[C@@H](Cc1cnccn1)NC1(c2cccc(C#N)c2)CC1 ZINC000579676182 383041214 /nfs/dbraw/zinc/04/12/14/383041214.db2.gz QWSYUAFZKRYZAL-ZDUSSCGKSA-N 0 3 278.359 2.558 20 30 CFEDHN N#Cc1ccc(CNCCc2cnc(C3CC3)nc2)cc1F ZINC000579698584 383043350 /nfs/dbraw/zinc/04/33/50/383043350.db2.gz NFIITWNFEIYYNS-UHFFFAOYSA-N 0 3 296.349 2.697 20 30 CFEDHN C=C1CCN(CCCNC(=O)OC(C)(C)C)CC1 ZINC000495960562 383047671 /nfs/dbraw/zinc/04/76/71/383047671.db2.gz HSIYRUFPRSTUFJ-UHFFFAOYSA-N 0 3 254.374 2.553 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC000245981420 383055689 /nfs/dbraw/zinc/05/56/89/383055689.db2.gz YNDZHASXJVLRJQ-WMLDXEAASA-N 0 3 286.375 2.568 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CCc2ccccc2N1 ZINC000579824391 383056057 /nfs/dbraw/zinc/05/60/57/383056057.db2.gz FZPSGDWURIWVKW-ZBFHGGJFSA-N 0 3 282.391 2.837 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000245651955 383019514 /nfs/dbraw/zinc/01/95/14/383019514.db2.gz NBXXNJMJILODGN-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000245666167 383019704 /nfs/dbraw/zinc/01/97/04/383019704.db2.gz QZNOVDNQZGCRJP-GOEBONIOSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCN(CCO)Cc1ccc(Br)s1 ZINC000338541985 383020687 /nfs/dbraw/zinc/02/06/87/383020687.db2.gz JTCKYQXJWHTHFS-UHFFFAOYSA-N 0 3 290.226 2.881 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCN2C)CCCCC1 ZINC000448977836 383121191 /nfs/dbraw/zinc/12/11/91/383121191.db2.gz UZUKLZLSMPLNKD-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@H](C#N)CNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496702932 383123596 /nfs/dbraw/zinc/12/35/96/383123596.db2.gz QOQGNDHZGJISRX-MGPQQGTHSA-N 0 3 295.427 2.771 20 30 CFEDHN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CCCC#N ZINC000496944212 383127534 /nfs/dbraw/zinc/12/75/34/383127534.db2.gz NMNRPBLZVWJWIC-CYBMUJFWSA-N 0 3 287.363 2.940 20 30 CFEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CC1 ZINC000497085741 383130054 /nfs/dbraw/zinc/13/00/54/383130054.db2.gz VYKBZDOVCJSOMQ-STQMWFEESA-N 0 3 293.411 2.525 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1CCOc2ccccc21 ZINC000554486671 383136180 /nfs/dbraw/zinc/13/61/80/383136180.db2.gz JTANRSZPPWDGCD-ZIAGYGMSSA-N 0 3 269.348 2.586 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCOc2ccccc21 ZINC000554486670 383136248 /nfs/dbraw/zinc/13/62/48/383136248.db2.gz JTANRSZPPWDGCD-UONOGXRCSA-N 0 3 269.348 2.586 20 30 CFEDHN C=CCCCCN1C[C@H](C)OC2(CCOCC2)C1 ZINC000584034752 383094589 /nfs/dbraw/zinc/09/45/89/383094589.db2.gz ZMOFBHBBDMHMRG-AWEZNQCLSA-N 0 3 253.386 2.613 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000496544063 383115080 /nfs/dbraw/zinc/11/50/80/383115080.db2.gz AVWIHFAKUVVHEE-OLZOCXBDSA-N 0 3 266.385 2.504 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000565194602 383176716 /nfs/dbraw/zinc/17/67/16/383176716.db2.gz MIKYPKFJVIOTJR-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CC)CCCC1 ZINC000449179755 383182091 /nfs/dbraw/zinc/18/20/91/383182091.db2.gz WXWGOPOBEMTKJT-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCOCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000339204769 383182883 /nfs/dbraw/zinc/18/28/83/383182883.db2.gz PBTTUFQCZMVBEY-QGZVFWFLSA-N 0 3 273.376 2.659 20 30 CFEDHN C=CCOCCN1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000339203549 383183315 /nfs/dbraw/zinc/18/33/15/383183315.db2.gz YNAWYLOMWOEVJU-ZBFHGGJFSA-N 0 3 295.810 2.550 20 30 CFEDHN C=CCCOCCNCc1ccc2c(c1)OCCCCO2 ZINC000449210251 383183827 /nfs/dbraw/zinc/18/38/27/383183827.db2.gz RKVJHQDHCUXRNP-UHFFFAOYSA-N 0 3 291.391 2.920 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccccc1OCC(C)C ZINC000449201825 383183896 /nfs/dbraw/zinc/18/38/96/383183896.db2.gz HNMBMNDDHQPAFO-OAHLLOKOSA-N 0 3 277.408 2.996 20 30 CFEDHN CN(C)C(=O)c1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000566174220 383184808 /nfs/dbraw/zinc/18/48/08/383184808.db2.gz WRLGWPZBDAZTFT-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN C=CCCCC[C@H](C)NCc1c(C)nn(C)c1OC ZINC000449243204 383185806 /nfs/dbraw/zinc/18/58/06/383185806.db2.gz IYOMZZJXRCRUGE-LBPRGKRZSA-N 0 3 265.401 2.962 20 30 CFEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000247587806 383186030 /nfs/dbraw/zinc/18/60/30/383186030.db2.gz MPEUNCIDQHKLIQ-UONOGXRCSA-N 0 3 279.428 2.695 20 30 CFEDHN CC[C@@H](C)CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000247732800 383194138 /nfs/dbraw/zinc/19/41/38/383194138.db2.gz VAXJSHXEMDQRPG-CJNGLKHVSA-N 0 3 285.391 2.641 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(C)ccc1C ZINC000556330719 383150880 /nfs/dbraw/zinc/15/08/80/383150880.db2.gz QXZULCGDRGCUJA-ZBFHGGJFSA-N 0 3 288.391 2.565 20 30 CFEDHN CCc1ccc([C@@H](CNC[C@@H](C#N)CCC#N)N(C)C)cc1 ZINC000556481497 383151513 /nfs/dbraw/zinc/15/15/13/383151513.db2.gz NYDOHOPRAVGZDV-SJLPKXTDSA-N 0 3 298.434 2.885 20 30 CFEDHN CN1CCN([C@H]2CC[C@@H](C#N)C2)CC12CCCCC2 ZINC000514738197 383154491 /nfs/dbraw/zinc/15/44/91/383154491.db2.gz VPOLVROTHKOAMX-CABCVRRESA-N 0 3 261.413 2.629 20 30 CFEDHN Cc1noc(C[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc2)n1 ZINC000514708335 383154959 /nfs/dbraw/zinc/15/49/59/383154959.db2.gz UMJZUVWKRHWWMO-BPUTZDHNSA-N 0 3 296.374 2.944 20 30 CFEDHN CN1CCN([C@@H]2CC[C@H](C#N)C2)CC12CCCCC2 ZINC000514738200 383155059 /nfs/dbraw/zinc/15/50/59/383155059.db2.gz VPOLVROTHKOAMX-LSDHHAIUSA-N 0 3 261.413 2.629 20 30 CFEDHN C=CCC[C@H](NCCN1CCO[C@H](C)C1)c1ccco1 ZINC000514828120 383155953 /nfs/dbraw/zinc/15/59/53/383155953.db2.gz IEFVMTHIHNXZEJ-CABCVRRESA-N 0 3 278.396 2.597 20 30 CFEDHN COc1ccc(C[C@H](C)NCC2(C#N)CC2)c(C)c1OC ZINC000561961500 383156147 /nfs/dbraw/zinc/15/61/47/383156147.db2.gz IZRLALNDONZCMY-LBPRGKRZSA-N 0 3 288.391 2.837 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)c2c1CCC2 ZINC000514913823 383156650 /nfs/dbraw/zinc/15/66/50/383156650.db2.gz FOTVBQNEVAJHIV-HNNXBMFYSA-N 0 3 277.327 2.764 20 30 CFEDHN CO[C@@H]1CC[C@@H]2OCCN(CC(C)(C)CCC#N)[C@@H]2C1 ZINC000247258883 383157301 /nfs/dbraw/zinc/15/73/01/383157301.db2.gz XNZYOXUUQKQGFU-KFWWJZLASA-N 0 3 280.412 2.585 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000424618088 383211385 /nfs/dbraw/zinc/21/13/85/383211385.db2.gz QAMKSCSBDYJYOY-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000562524489 383159363 /nfs/dbraw/zinc/15/93/63/383159363.db2.gz WUYRQDFMCURCSI-ZYHUDNBSSA-N 0 3 299.296 2.805 20 30 CFEDHN CC(C)[C@H](CO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000516267615 383163153 /nfs/dbraw/zinc/16/31/53/383163153.db2.gz JDCTWOFXDVPFCE-AAEUAGOBSA-N 0 3 264.344 2.612 20 30 CFEDHN C=CCCCC[C@H](C)N[C@@H](C(N)=O)c1ccccc1 ZINC000449075816 383163131 /nfs/dbraw/zinc/16/31/31/383163131.db2.gz SCEYLDGBMDQPEW-DZGCQCFKSA-N 0 3 260.381 2.938 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000563244378 383166299 /nfs/dbraw/zinc/16/62/99/383166299.db2.gz YANBRSLPMZWIMU-SHTZXODSSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000424773668 383258383 /nfs/dbraw/zinc/25/83/83/383258383.db2.gz GKGSQKXIBXWXIO-KBPBESRZSA-N 0 3 296.480 2.627 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000339608961 383260880 /nfs/dbraw/zinc/26/08/80/383260880.db2.gz LENNPJOTSSFHPZ-CYBMUJFWSA-N 0 3 289.379 2.536 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339673064 383281771 /nfs/dbraw/zinc/28/17/71/383281771.db2.gz DYAITMXDGPOESD-GDBMZVCRSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCN1CC[C@@H](N2Cc3cc(C)ccc3CC2(C)C)C1=O ZINC000339638098 383271373 /nfs/dbraw/zinc/27/13/73/383271373.db2.gz LYAXZCFBWNFEFI-QGZVFWFLSA-N 0 3 298.430 2.919 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000424658596 383222433 /nfs/dbraw/zinc/22/24/33/383222433.db2.gz GVIYVLFTKFAKNQ-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)C2CCCCC2)c(F)c1 ZINC000339512952 383226665 /nfs/dbraw/zinc/22/66/65/383226665.db2.gz ZUPXTUTYTSLPNI-MRXNPFEDSA-N 0 3 290.382 2.976 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@H]1C ZINC000248372010 383231242 /nfs/dbraw/zinc/23/12/42/383231242.db2.gz ZJHVHDWBYQCSDP-MJBXVCDLSA-N 0 3 252.402 2.530 20 30 CFEDHN N#CCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000567137550 383245911 /nfs/dbraw/zinc/24/59/11/383245911.db2.gz NHAJYXGDNIWBKI-UHFFFAOYSA-N 0 3 289.335 2.599 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000425246727 383349230 /nfs/dbraw/zinc/34/92/30/383349230.db2.gz YOMDLBWISMJVGO-ZYHUDNBSSA-N 0 3 286.335 2.504 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000449498412 383335941 /nfs/dbraw/zinc/33/59/41/383335941.db2.gz LHLKCTVEGXUQGI-CZUORRHYSA-N 0 3 288.391 2.814 20 30 CFEDHN C[C@H]1C[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000425246724 383349264 /nfs/dbraw/zinc/34/92/64/383349264.db2.gz YOMDLBWISMJVGO-CMPLNLGQSA-N 0 3 286.335 2.504 20 30 CFEDHN C[C@H]1CCCN(CCNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425207484 383340663 /nfs/dbraw/zinc/34/06/63/383340663.db2.gz MQWDBGUPNWBCLY-LBPRGKRZSA-N 0 3 288.351 2.610 20 30 CFEDHN Cc1cccc2c1CNCCN2Cc1cccc(C#N)c1 ZINC000567987184 383340685 /nfs/dbraw/zinc/34/06/85/383340685.db2.gz TUGHBOFKVPCKDD-UHFFFAOYSA-N 0 3 277.371 2.977 20 30 CFEDHN Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)c(C#N)cn1 ZINC000425209119 383340800 /nfs/dbraw/zinc/34/08/00/383340800.db2.gz QNIQFRAFNTXBKH-KRWDZBQOSA-N 0 3 298.365 2.538 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339678433 383284621 /nfs/dbraw/zinc/28/46/21/383284621.db2.gz MLKJXLAWBIRMJH-OAHLLOKOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CC[C@@H](CO)C1 ZINC000449426672 383286478 /nfs/dbraw/zinc/28/64/78/383286478.db2.gz LKHXTGHQTYVECW-HIFRSBDPSA-N 0 3 261.365 2.502 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000248746259 383287432 /nfs/dbraw/zinc/28/74/32/383287432.db2.gz FMPWJGOCKOLMOJ-BFYDXBDKSA-N 0 3 297.402 2.854 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339709115 383294568 /nfs/dbraw/zinc/29/45/68/383294568.db2.gz BGNMVAGSSXAQJJ-KFWWJZLASA-N 0 3 291.439 2.505 20 30 CFEDHN CC(C)[C@@H](NCc1cccc(C#N)c1F)C1(CO)CCC1 ZINC000339730610 383300732 /nfs/dbraw/zinc/30/07/32/383300732.db2.gz LJSSKLVELGFRGD-MRXNPFEDSA-N 0 3 290.382 2.974 20 30 CFEDHN Cc1cc(CCNC[C@H](C#N)CCC#N)cc(C)c1O ZINC000567699295 383303952 /nfs/dbraw/zinc/30/39/52/383303952.db2.gz IIYOMQIKRHFQNA-HNNXBMFYSA-N 0 3 271.364 2.585 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000249003470 383316480 /nfs/dbraw/zinc/31/64/80/383316480.db2.gz ZEKHAFKYXCISLK-IIAWOOMASA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CCNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449477548 383319119 /nfs/dbraw/zinc/31/91/19/383319119.db2.gz PJXHTTCYOOXSRD-UHFFFAOYSA-N 0 3 271.364 2.937 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCOC3(CCC3)C2)o1 ZINC000449478294 383319935 /nfs/dbraw/zinc/31/99/35/383319935.db2.gz RGYUDDYTHSFVBC-GFCCVEGCSA-N 0 3 260.337 2.590 20 30 CFEDHN C=CCCOCCNCc1cnc(-c2ccncc2)s1 ZINC000339795811 383321043 /nfs/dbraw/zinc/32/10/43/383321043.db2.gz PMCNEYUSBBCYMG-UHFFFAOYSA-N 0 3 289.404 2.887 20 30 CFEDHN COc1cc(CN[C@H](C)[C@]2(C)CCCO2)ccc1C#N ZINC000340397752 383416320 /nfs/dbraw/zinc/41/63/20/383416320.db2.gz VMVGORDUFBJJAF-WBMJQRKESA-N 0 3 274.364 2.614 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CC2)cc1 ZINC000525922193 383408839 /nfs/dbraw/zinc/40/88/39/383408839.db2.gz GBJVOLZZAHDJCU-INIZCTEOSA-N 0 3 281.359 2.547 20 30 CFEDHN CCCN(CCN1CCCC1)c1ncc2c(c1C#N)CCC2 ZINC000425255833 383351435 /nfs/dbraw/zinc/35/14/35/383351435.db2.gz QGMOUULPHDPZTE-UHFFFAOYSA-N 0 3 298.434 2.754 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(F)F)cc1 ZINC000449517872 383351738 /nfs/dbraw/zinc/35/17/38/383351738.db2.gz HNEGFKUODXJMEU-OLZOCXBDSA-N 0 3 269.291 2.721 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCC[C@H]2OC)c1 ZINC000449524563 383352901 /nfs/dbraw/zinc/35/29/01/383352901.db2.gz RGSMPQCYNKDASI-HZPDHXFCSA-N 0 3 261.365 2.909 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OC)c1 ZINC000449546234 383354728 /nfs/dbraw/zinc/35/47/28/383354728.db2.gz BBEJFOOQBDHCND-KGLIPLIRSA-N 0 3 277.364 2.527 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000249745357 383360005 /nfs/dbraw/zinc/36/00/05/383360005.db2.gz MHFANRQPRCPQLJ-IJEWVQPXSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCC[C@H](CO)NCc1nc2ccc(F)cc2s1 ZINC000449694772 383361330 /nfs/dbraw/zinc/36/13/30/383361330.db2.gz CNRZYYKFYQLXQY-LLVKDONJSA-N 0 3 280.368 2.852 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449713176 383361968 /nfs/dbraw/zinc/36/19/68/383361968.db2.gz WIRLHSFAWKNDFK-GFCCVEGCSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCC[C@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000449701476 383362084 /nfs/dbraw/zinc/36/20/84/383362084.db2.gz WSAKMYYRYGHSJQ-GFCCVEGCSA-N 0 3 293.798 2.643 20 30 CFEDHN N#CCCCOc1cccc(CNC[C@@H](O)C2CCC2)c1 ZINC000449738751 383363423 /nfs/dbraw/zinc/36/34/23/383363423.db2.gz FFWPQMLVXIVONB-QGZVFWFLSA-N 0 3 288.391 2.620 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCCN(C(C)(C)C)CC2)n1 ZINC000524155813 383366663 /nfs/dbraw/zinc/36/66/63/383366663.db2.gz ICWUXQPUFLFJGB-UHFFFAOYSA-N 0 3 286.423 2.881 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000249898729 383367027 /nfs/dbraw/zinc/36/70/27/383367027.db2.gz SIYQEEBTOAOTJQ-MCIONIFRSA-N 0 3 252.402 2.672 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](CC)CC(C)C)CC1 ZINC000449845556 383367252 /nfs/dbraw/zinc/36/72/52/383367252.db2.gz QFUIVZGEMDCLDY-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CCC1 ZINC000250692900 383379340 /nfs/dbraw/zinc/37/93/40/383379340.db2.gz OUMUJXBKMITMNE-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C(C)C)CC1 ZINC000473561952 383382377 /nfs/dbraw/zinc/38/23/77/383382377.db2.gz KLRKDCFDQFIVMM-UHFFFAOYSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000475740232 383387046 /nfs/dbraw/zinc/38/70/46/383387046.db2.gz BJSXKHXWUJOVFF-ILXRZTDVSA-N 0 3 291.439 2.695 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC23CCCC3)cc1 ZINC000526930250 383437425 /nfs/dbraw/zinc/43/74/25/383437425.db2.gz DWPLZFSVOCEIOI-HZPDHXFCSA-N 0 3 293.370 2.689 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(F)c2C#N)C[C@H]1C ZINC000428292847 383442886 /nfs/dbraw/zinc/44/28/86/383442886.db2.gz DFLSGIGODIIDFW-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000483228825 383444147 /nfs/dbraw/zinc/44/41/47/383444147.db2.gz AKPYGVRHWKOAKF-PBHICJAKSA-N 0 3 293.455 2.799 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000340504890 383447992 /nfs/dbraw/zinc/44/79/92/383447992.db2.gz QZBBPDPGZSBXHT-YGRLFVJLSA-N 0 3 264.344 2.897 20 30 CFEDHN C[C@H](NCc1cccc(F)c1C#N)[C@@H]1CCCOC1 ZINC000428319258 383451130 /nfs/dbraw/zinc/45/11/30/383451130.db2.gz OTMCUDSSAXFFKU-WCQYABFASA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cn[nH]c1 ZINC000340520985 383454817 /nfs/dbraw/zinc/45/48/17/383454817.db2.gz BMQHCSYHYZNQPF-GFCCVEGCSA-N 0 3 286.404 2.865 20 30 CFEDHN Cc1ccc(C)c(OC[C@@H](O)CNCC(C)(C)CC#N)c1 ZINC000568991517 383457912 /nfs/dbraw/zinc/45/79/12/383457912.db2.gz OZZKQTDBVIEWGN-HNNXBMFYSA-N 0 3 290.407 2.573 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCC2(C#N)CCC2)C1 ZINC000450561957 383462612 /nfs/dbraw/zinc/46/26/12/383462612.db2.gz GMKMSZZLVCMNAI-CJNGLKHVSA-N 0 3 264.413 2.847 20 30 CFEDHN CN(CC1(C#N)CCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000450583474 383469995 /nfs/dbraw/zinc/46/99/95/383469995.db2.gz MFDHCCMZZJMMLU-KRWDZBQOSA-N 0 3 283.419 2.887 20 30 CFEDHN CCCCC[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000486790897 383475957 /nfs/dbraw/zinc/47/59/57/383475957.db2.gz ZYNCFCOBCUUORC-NVXWUHKLSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000428031603 383420461 /nfs/dbraw/zinc/42/04/61/383420461.db2.gz LTFCSYNDKASWAL-NSHDSACASA-N 0 3 299.305 2.789 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCC2=CCCCC2)C1=O ZINC000450912530 383546804 /nfs/dbraw/zinc/54/68/04/383546804.db2.gz XPJYRIXHOMNSKE-OAHLLOKOSA-N 0 3 262.397 2.596 20 30 CFEDHN CCOC(=O)C[C@@](C)(NCC1(C#N)CCC1)C(C)C ZINC000450760461 383487344 /nfs/dbraw/zinc/48/73/44/383487344.db2.gz QZEZFAZXILPUEO-CQSZACIVSA-N 0 3 266.385 2.638 20 30 CFEDHN CC(=O)N[C@H](C)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488105290 383496833 /nfs/dbraw/zinc/49/68/33/383496833.db2.gz KLGVJQHRIVCMBH-CQSZACIVSA-N 0 3 299.418 2.603 20 30 CFEDHN Cc1cc(CN2[C@@H](C)CCC[C@H]2CO)ccc1C#N ZINC000488166708 383502474 /nfs/dbraw/zinc/50/24/74/383502474.db2.gz UZPCEVBSXPSKQA-BBRMVZONSA-N 0 3 258.365 2.602 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1c1cccc(F)c1C#N ZINC000450835109 383513022 /nfs/dbraw/zinc/51/30/22/383513022.db2.gz WIHBBXHQHPXDFD-GFCCVEGCSA-N 0 3 261.344 2.618 20 30 CFEDHN COC(=O)[C@H]1CCN(Cc2cccc(C#N)c2)[C@H]1C(C)C ZINC000429369179 383524291 /nfs/dbraw/zinc/52/42/91/383524291.db2.gz BNJQACGSJJXNDW-HOTGVXAUSA-N 0 3 286.375 2.578 20 30 CFEDHN C=C(C)CCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429377075 383526090 /nfs/dbraw/zinc/52/60/90/383526090.db2.gz CACLNQFNENXNJG-ZIAGYGMSSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CCCN1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261674327 383540110 /nfs/dbraw/zinc/54/01/10/383540110.db2.gz JKSIDSAWVZZBCW-CQSZACIVSA-N 0 3 250.773 2.862 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000528449715 383541131 /nfs/dbraw/zinc/54/11/31/383541131.db2.gz PPRUXUNDQMGIMB-LSDHHAIUSA-N 0 3 290.432 2.618 20 30 CFEDHN CCOC[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488453277 383543920 /nfs/dbraw/zinc/54/39/20/383543920.db2.gz ZCEGRIGEOOOEFJ-HNNXBMFYSA-N 0 3 258.365 2.725 20 30 CFEDHN C=CCCCCCNC(=O)NCC1(N(C)C)CCC1 ZINC000570104301 383572557 /nfs/dbraw/zinc/57/25/57/383572557.db2.gz JFXRURVLFXVMNJ-UHFFFAOYSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCN1CCC(NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC000635530814 383578727 /nfs/dbraw/zinc/57/87/27/383578727.db2.gz KEZIDKKCYPYKQY-VOTSOKGWSA-N 0 3 298.430 2.942 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCOC)CC1 ZINC000528572719 383581474 /nfs/dbraw/zinc/58/14/74/383581474.db2.gz GMQSPWOFCQXTTA-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN CN1CCC[C@H](CNc2cc(C(F)(F)F)cnc2C#N)C1 ZINC000569938453 383554583 /nfs/dbraw/zinc/55/45/83/383554583.db2.gz FFYWYYYIRJGGKJ-SNVBAGLBSA-N 0 3 298.312 2.726 20 30 CFEDHN C=CCN(C)CCN(CC)CC#Cc1ccc(F)cc1 ZINC000429717705 383562500 /nfs/dbraw/zinc/56/25/00/383562500.db2.gz IIOAELXNPSXDBH-UHFFFAOYSA-N 0 3 274.383 2.617 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@@H]2CCO[C@@H]21 ZINC000451464719 383620367 /nfs/dbraw/zinc/62/03/67/383620367.db2.gz FXULCNFBIMIZOF-GLQYFDAESA-N 0 3 274.339 2.600 20 30 CFEDHN CCO[C@@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000451527942 383636361 /nfs/dbraw/zinc/63/63/61/383636361.db2.gz HRUDURBTYUREMF-WMLDXEAASA-N 0 3 288.391 2.684 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](CCCC#N)c2ccccc2)C1=O ZINC000433026608 383753084 /nfs/dbraw/zinc/75/30/84/383753084.db2.gz GTMNLGWEFRUUOL-SJORKVTESA-N 0 3 297.402 2.798 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(OCC)n1 ZINC000435736337 383778979 /nfs/dbraw/zinc/77/89/79/383778979.db2.gz WNKSWKDRAMSLQQ-CJNGLKHVSA-N 0 3 276.380 2.551 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(OCC)n1 ZINC000435736339 383778998 /nfs/dbraw/zinc/77/89/98/383778998.db2.gz WNKSWKDRAMSLQQ-XJKSGUPXSA-N 0 3 276.380 2.551 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)C[C@@H](O)Cc1ccccc1 ZINC000433073267 383753941 /nfs/dbraw/zinc/75/39/41/383753941.db2.gz RPOICHOOZHJCFH-IBGZPJMESA-N 0 3 294.398 2.788 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433047273 383754074 /nfs/dbraw/zinc/75/40/74/383754074.db2.gz WQKWJTUYGCGHQN-WMLDXEAASA-N 0 3 286.419 2.729 20 30 CFEDHN C=CCN(CC=C)C(=O)c1ccccc1CN(C)C ZINC000433113564 383754868 /nfs/dbraw/zinc/75/48/68/383754868.db2.gz CZHLARWGAJSMGU-UHFFFAOYSA-N 0 3 258.365 2.562 20 30 CFEDHN N#Cc1cc2c(nc1N1CC[C@@H](N3CCCCC3)C1)CCC2 ZINC000264565726 383756198 /nfs/dbraw/zinc/75/61/98/383756198.db2.gz GKVQRSVREQTZEH-MRXNPFEDSA-N 0 3 296.418 2.507 20 30 CFEDHN CN(Cc1ccccn1)C(=O)C(C#N)CCc1ccccc1 ZINC000433312060 383760551 /nfs/dbraw/zinc/76/05/51/383760551.db2.gz PGPOLBRTUHRJJV-MRXNPFEDSA-N 0 3 293.370 2.813 20 30 CFEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(C)C#N)c1 ZINC000435721177 383779582 /nfs/dbraw/zinc/77/95/82/383779582.db2.gz AYXDWEJJRYEQRM-VNQPRFMTSA-N 0 3 286.375 2.961 20 30 CFEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCS1 ZINC000433349497 383761902 /nfs/dbraw/zinc/76/19/02/383761902.db2.gz CKXWLZSHNVVSNR-UKRRQHHQSA-N 0 3 288.416 2.723 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530026311 383764070 /nfs/dbraw/zinc/76/40/70/383764070.db2.gz HZYWGDPXCKZMCT-HOCLYGCPSA-N 0 3 264.413 2.722 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C1(CC)CC ZINC000434343012 383768228 /nfs/dbraw/zinc/76/82/28/383768228.db2.gz TUAAGVWXYIPISV-JHJVBQTASA-N 0 3 266.385 2.588 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2ccccc2n1C ZINC000435744394 383778608 /nfs/dbraw/zinc/77/86/08/383778608.db2.gz XENMTACKHXWJBI-CXAGYDPISA-N 0 3 285.391 2.644 20 30 CFEDHN CO[C@@H]1CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000451630908 383671089 /nfs/dbraw/zinc/67/10/89/383671089.db2.gz KFVILRMTECQOIP-HUUCEWRRSA-N 0 3 263.768 2.849 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000436305124 383802620 /nfs/dbraw/zinc/80/26/20/383802620.db2.gz HXWWNKDMRPBUPB-MRXNPFEDSA-N 0 3 286.419 2.982 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264995744 383813283 /nfs/dbraw/zinc/81/32/83/383813283.db2.gz CJLRHTHVCCGDMT-MRXNPFEDSA-N 0 3 288.391 2.837 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000572815974 383820346 /nfs/dbraw/zinc/82/03/46/383820346.db2.gz NOGUEZWDIRXREV-BBWFWOEESA-N 0 3 298.386 2.609 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C2)CC1 ZINC000435969941 383782204 /nfs/dbraw/zinc/78/22/04/383782204.db2.gz UXPNYCLWSUNRIT-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@H](CCC#N)N(C)Cc1ccc2c(c1)OCCO2 ZINC000572488213 383785790 /nfs/dbraw/zinc/78/57/90/383785790.db2.gz KMWINYHDKRMACS-GFCCVEGCSA-N 0 3 260.337 2.582 20 30 CFEDHN C=CCC1(C(=O)N2CCCN(c3ccncc3)CC2)CCC1 ZINC000640445348 383795303 /nfs/dbraw/zinc/79/53/03/383795303.db2.gz UPNUAMBVFLFLPI-UHFFFAOYSA-N 0 3 299.418 2.867 20 30 CFEDHN C=C(CC)CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436273385 383798008 /nfs/dbraw/zinc/79/80/08/383798008.db2.gz UQYVVEFKXJPTTI-MSOLQXFVSA-N 0 3 286.419 2.538 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000438338925 383985100 /nfs/dbraw/zinc/98/51/00/383985100.db2.gz BPGJGEQKIXYGTB-MRXNPFEDSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1C[C@H]1CC)C(C)C ZINC000438164140 383962097 /nfs/dbraw/zinc/96/20/97/383962097.db2.gz FPBCMLMZVIVLMR-BZUAXINKSA-N 0 3 293.455 2.783 20 30 CFEDHN Cc1ccc([C@@H](CNC(=O)C2(C#N)CC(C)C2)N(C)C)cc1 ZINC000532319816 384008788 /nfs/dbraw/zinc/00/87/88/384008788.db2.gz QAEUDSFJUYYKEW-BFHRDPOASA-N 0 3 299.418 2.654 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000438905614 384030174 /nfs/dbraw/zinc/03/01/74/384030174.db2.gz ZWKSTBLBAOEYMM-GJZGRUSLSA-N 0 3 299.418 2.859 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)[C@@H](C)CN1C ZINC000439440124 384035703 /nfs/dbraw/zinc/03/57/03/384035703.db2.gz POYIQXYZVOAUEX-RYUDHWBXSA-N 0 3 277.799 2.736 20 30 CFEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000454990891 384105123 /nfs/dbraw/zinc/10/51/23/384105123.db2.gz OQZLSYMJCRPZKV-UHFFFAOYSA-N 0 3 294.786 2.673 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000637623580 384140492 /nfs/dbraw/zinc/14/04/92/384140492.db2.gz HXDRZWFPKRAQOZ-CABCVRRESA-N 0 3 295.471 2.960 20 30 CFEDHN CC(C)(C)CCCNCc1cnc2c(C#N)cnn2c1 ZINC000574989780 384172687 /nfs/dbraw/zinc/17/26/87/384172687.db2.gz JIMWPORFCAZCRC-UHFFFAOYSA-N 0 3 271.368 2.517 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000574888113 384160488 /nfs/dbraw/zinc/16/04/88/384160488.db2.gz NEJPUAXBCNIWAX-LSDHHAIUSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)NCC ZINC000637890449 384254416 /nfs/dbraw/zinc/25/44/16/384254416.db2.gz ZESIXZQAYGCJHV-JTQLQIEISA-N 0 3 286.828 2.914 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000641769284 384337090 /nfs/dbraw/zinc/33/70/90/384337090.db2.gz RUHJOTRRWSNKNT-NSHDSACASA-N 0 3 292.429 2.736 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000277652549 384367047 /nfs/dbraw/zinc/36/70/47/384367047.db2.gz DCFVGFVLZGIOFV-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN CC#CC[C@H](CO)NCc1c(OC)ccc2ccccc21 ZINC000641768509 384334609 /nfs/dbraw/zinc/33/46/09/384334609.db2.gz AZLMIIGKLPVLIT-OAHLLOKOSA-N 0 3 283.371 2.712 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000289395135 197327464 /nfs/dbraw/zinc/32/74/64/197327464.db2.gz NYLJWLHWIKIZCK-KRWDZBQOSA-N 0 3 292.386 2.706 20 30 CFEDHN CC[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(C#N)cc1 ZINC000278175617 384491132 /nfs/dbraw/zinc/49/11/32/384491132.db2.gz CVCIRLMPNZRRMO-XJKSGUPXSA-N 0 3 285.391 2.610 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@H](CC(F)(F)F)C1 ZINC000643253761 384529187 /nfs/dbraw/zinc/52/91/87/384529187.db2.gz DXOLHTRJGXTJBH-GHMZBOCLSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCC[C@H](CC)N[C@H](c1nncn1C)C(C)C ZINC000289357199 197310561 /nfs/dbraw/zinc/31/05/61/197310561.db2.gz JWGSBCXXOWAWOW-STQMWFEESA-N 0 3 250.390 2.847 20 30 CFEDHN CC[C@H]1CCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000279301704 384610754 /nfs/dbraw/zinc/61/07/54/384610754.db2.gz QICDLYTXUXCKTR-GXTWGEPZSA-N 0 3 289.379 2.875 20 30 CFEDHN C=CCC[C@@H](O)CN(C)C[C@@H]1OCCc2ccccc21 ZINC000268570794 384633236 /nfs/dbraw/zinc/63/32/36/384633236.db2.gz RBMULPBOJPNJCW-WBVHZDCISA-N 0 3 275.392 2.559 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000268445803 384620604 /nfs/dbraw/zinc/62/06/04/384620604.db2.gz HGBSPHRSRGPGPQ-KPHUOKFYSA-N 0 3 295.448 2.744 20 30 CFEDHN C=CCC[C@H](O)CNC1(c2nccs2)CCCC1 ZINC000268512934 384630523 /nfs/dbraw/zinc/63/05/23/384630523.db2.gz COBFFSUQODEDPW-LBPRGKRZSA-N 0 3 266.410 2.829 20 30 CFEDHN C=CCC1(NC(=O)[C@@H](N)CCC(C)C)CCCC1 ZINC000638421415 384640548 /nfs/dbraw/zinc/64/05/48/384640548.db2.gz VGABWWUHNPEURI-ZDUSSCGKSA-N 0 3 252.402 2.755 20 30 CFEDHN C=C(C)CN(CCC1OCCO1)Cc1ccccc1 ZINC000279451882 384641313 /nfs/dbraw/zinc/64/13/13/384641313.db2.gz ZMBADEODAATFHN-UHFFFAOYSA-N 0 3 261.365 2.828 20 30 CFEDHN N#Cc1ccc(OC2CCN(CCCF)CC2)cc1 ZINC000268962035 384702862 /nfs/dbraw/zinc/70/28/62/384702862.db2.gz XXWFMPCCJNIWDQ-UHFFFAOYSA-N 0 3 262.328 2.761 20 30 CFEDHN C=C(C)CN1CCC(NCc2nc3ccccc3o2)CC1 ZINC000638523542 384720938 /nfs/dbraw/zinc/72/09/38/384720938.db2.gz BXCMFNIVZZEQFI-UHFFFAOYSA-N 0 3 285.391 2.958 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)c(F)c1 ZINC000269442166 384760097 /nfs/dbraw/zinc/76/00/97/384760097.db2.gz SZJQEEQPUIQKHD-IMJJTQAJSA-N 0 3 274.339 2.745 20 30 CFEDHN CC(C)(CO)CCCNCc1ccc(C#N)cc1F ZINC000269467190 384761416 /nfs/dbraw/zinc/76/14/16/384761416.db2.gz ZIUQRUVKNMOFQL-UHFFFAOYSA-N 0 3 264.344 2.586 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CCO)c2ccccc2)c(F)c1 ZINC000269470490 384762326 /nfs/dbraw/zinc/76/23/26/384762326.db2.gz ZWIHFFISCMEMOC-INIZCTEOSA-N 0 3 298.361 2.953 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncccc1C(F)(F)F ZINC000643794092 384763210 /nfs/dbraw/zinc/76/32/10/384763210.db2.gz ZEWQXISMRAHDDK-GWCFXTLKSA-N 0 3 286.297 2.781 20 30 CFEDHN C[C@]1(O)CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000279948621 384824526 /nfs/dbraw/zinc/82/45/26/384824526.db2.gz GPMPHTBDCYWAFD-INIZCTEOSA-N 0 3 277.795 2.928 20 30 CFEDHN C#Cc1ccc(CNC[C@@H](c2ccco2)N(C)C)cc1 ZINC000289289071 197285787 /nfs/dbraw/zinc/28/57/87/197285787.db2.gz PLFLDWRKVYGYLM-INIZCTEOSA-N 0 3 268.360 2.653 20 30 CFEDHN COc1ccc(CN2CCC[C@](C)(OC)CC2)cc1C#N ZINC000280214698 384931947 /nfs/dbraw/zinc/93/19/47/384931947.db2.gz IVMQKVISKFVHSV-KRWDZBQOSA-N 0 3 288.391 2.958 20 30 CFEDHN C#CCSCCNCc1c(C)nn(C(C)(C)C)c1C ZINC000270031723 384948222 /nfs/dbraw/zinc/94/82/22/384948222.db2.gz BDBHWFJAUOLVSR-UHFFFAOYSA-N 0 3 279.453 2.711 20 30 CFEDHN C=CCCC[C@H](C)NCc1cc2c(cn1)OCCO2 ZINC000638836780 384968435 /nfs/dbraw/zinc/96/84/35/384968435.db2.gz KHXYUYWREKWGHA-LBPRGKRZSA-N 0 3 262.353 2.687 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@]1(N)C[C@H](OCC)C1(C)C ZINC000638875188 385008776 /nfs/dbraw/zinc/00/87/76/385008776.db2.gz OASSQKIWNZJFRK-SUMWQHHRSA-N 0 3 296.455 2.628 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000289266809 197279647 /nfs/dbraw/zinc/27/96/47/197279647.db2.gz NBAWSIHPTYUGHA-YJBOKZPZSA-N 0 3 279.387 2.948 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(C)cs1 ZINC000280548132 385057403 /nfs/dbraw/zinc/05/74/03/385057403.db2.gz DOLUVRSGZOZTFW-YPMHNXCESA-N 0 3 252.383 2.522 20 30 CFEDHN C=CCOCCNC[C@H](OC(C)C)c1ccccc1 ZINC000638969028 385061327 /nfs/dbraw/zinc/06/13/27/385061327.db2.gz LTFBGOLJADRCNN-INIZCTEOSA-N 0 3 263.381 2.945 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000280591041 385072438 /nfs/dbraw/zinc/07/24/38/385072438.db2.gz BJHKANGKECQATN-IAQYHMDHSA-N 0 3 265.328 2.602 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccccc1C#N ZINC000270455722 385109454 /nfs/dbraw/zinc/10/94/54/385109454.db2.gz NYNYNHSWEGENSG-DOTOQJQBSA-N 0 3 286.375 2.770 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000280624860 385089455 /nfs/dbraw/zinc/08/94/55/385089455.db2.gz LLMBOXJLMWLFNV-BBRMVZONSA-N 0 3 261.365 2.771 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(CC)nn(C)c1Cl ZINC000280635606 385093460 /nfs/dbraw/zinc/09/34/60/385093460.db2.gz MPQRDPYQAXBHGT-BXUZGUMPSA-N 0 3 297.830 2.707 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000280660716 385103925 /nfs/dbraw/zinc/10/39/25/385103925.db2.gz PAHFWGOZZNHYPV-WCQYABFASA-N 0 3 282.365 2.727 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000347118855 533108191 /nfs/dbraw/zinc/10/81/91/533108191.db2.gz OBQMLDOJWBKZIT-QWRGUYRKSA-N 0 3 264.756 2.889 20 30 CFEDHN C=CCN(CCOC)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639101090 385189252 /nfs/dbraw/zinc/18/92/52/385189252.db2.gz VYGXOWNLGLYAME-INIZCTEOSA-N 0 3 274.408 2.647 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccoc2C(C)C)CC1 ZINC000280810573 385164326 /nfs/dbraw/zinc/16/43/26/385164326.db2.gz WUVHVYHUTMRFLA-UHFFFAOYSA-N 0 3 276.380 2.783 20 30 CFEDHN C=CCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639089878 385172154 /nfs/dbraw/zinc/17/21/54/385172154.db2.gz VBQXESBGCOUMPW-UHFFFAOYSA-N 0 3 259.275 2.514 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000336000949 533110695 /nfs/dbraw/zinc/11/06/95/533110695.db2.gz GNSOKIHBBANBEY-DZGCQCFKSA-N 0 3 256.349 2.627 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000645238462 385260755 /nfs/dbraw/zinc/26/07/55/385260755.db2.gz RPCMXRBIVAYLEY-LSDHHAIUSA-N 0 3 281.783 2.730 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000282395443 385300960 /nfs/dbraw/zinc/30/09/60/385300960.db2.gz RISWNVRFUXQZJT-QGZVFWFLSA-N 0 3 288.391 2.694 20 30 CFEDHN C#CCCCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000271075880 385328818 /nfs/dbraw/zinc/32/88/18/385328818.db2.gz WUULFTPKIIZWBM-KRWDZBQOSA-N 0 3 284.403 2.684 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)s1 ZINC000271124977 385342780 /nfs/dbraw/zinc/34/27/80/385342780.db2.gz MGFKXWKDQJHOHA-NSHDSACASA-N 0 3 272.377 2.722 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000347125560 533116342 /nfs/dbraw/zinc/11/63/42/533116342.db2.gz PNFPIJAEPKQRHN-IINYFYTJSA-N 0 3 260.312 2.943 20 30 CFEDHN C#CCCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000271067127 385327238 /nfs/dbraw/zinc/32/72/38/385327238.db2.gz UQNHWHYTBPGIDG-INIZCTEOSA-N 0 3 286.419 2.787 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000272006674 385423963 /nfs/dbraw/zinc/42/39/63/385423963.db2.gz SLLAUVKXTZRJSO-MSOLQXFVSA-N 0 3 278.355 2.648 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@H](C)c2cccc(C#N)c2)o1 ZINC000271913504 385398978 /nfs/dbraw/zinc/39/89/78/385398978.db2.gz YJKFFTCVYAVUAV-IUODEOHRSA-N 0 3 270.332 2.844 20 30 CFEDHN COC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000271928903 385403546 /nfs/dbraw/zinc/40/35/46/385403546.db2.gz HEPQZFMDXIPDPA-BMIGLBTASA-N 0 3 262.328 2.773 20 30 CFEDHN CN(C)Cc1ccnc(NCc2ccc(C#N)cc2F)c1 ZINC000271947481 385407748 /nfs/dbraw/zinc/40/77/48/385407748.db2.gz AUHPSXIFQYAASP-UHFFFAOYSA-N 0 3 284.338 2.766 20 30 CFEDHN C[C@]1(CCCO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000272022223 385428022 /nfs/dbraw/zinc/42/80/22/385428022.db2.gz NJDVEENIACBFMK-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1ccc(C(=O)NC)cc1 ZINC000272314034 385507931 /nfs/dbraw/zinc/50/79/31/385507931.db2.gz SENPKVQMPIWSCG-UHFFFAOYSA-N 0 3 298.386 2.870 20 30 CFEDHN C#CCCN1CCN(CCCc2cccc(C)c2)CC1 ZINC000272401980 385528312 /nfs/dbraw/zinc/52/83/12/385528312.db2.gz ASIXZORMIFOHTP-UHFFFAOYSA-N 0 3 270.420 2.569 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)C[C@H]1CCCC[C@H]1O ZINC000272606277 385574403 /nfs/dbraw/zinc/57/44/03/385574403.db2.gz WCEOECUMPFWFRP-GDBMZVCRSA-N 0 3 288.391 2.550 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCC[C@@H]1O ZINC000272486355 385550234 /nfs/dbraw/zinc/55/02/34/385550234.db2.gz HGEZYJHUHQNVDE-CVEARBPZSA-N 0 3 258.365 2.541 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@H]1O ZINC000272486364 385550305 /nfs/dbraw/zinc/55/03/05/385550305.db2.gz HGEZYJHUHQNVDE-JKSUJKDBSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CCOCCN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000272519079 385557579 /nfs/dbraw/zinc/55/75/79/385557579.db2.gz HQDVORLONUVAAE-AWEZNQCLSA-N 0 3 279.380 2.947 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000285919013 385558410 /nfs/dbraw/zinc/55/84/10/385558410.db2.gz LERCDNVRGRKTID-YOEHRIQHSA-N 0 3 287.407 2.563 20 30 CFEDHN C=CCOCCN[C@H](C)c1cc(OC)ccc1OC ZINC000272545221 385562309 /nfs/dbraw/zinc/56/23/09/385562309.db2.gz LJZOGCGOQDWAGJ-GFCCVEGCSA-N 0 3 265.353 2.557 20 30 CFEDHN CN(CCCN(C)c1cccc(C#N)n1)Cc1ccco1 ZINC000286208052 385571873 /nfs/dbraw/zinc/57/18/73/385571873.db2.gz BBSBCKOMSNHCCN-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN C=CCC[C@H](N[C@H](C)CN1CCCC1=O)c1ccco1 ZINC000286363297 385598692 /nfs/dbraw/zinc/59/86/92/385598692.db2.gz ZHNUTJBBIWPGFA-KGLIPLIRSA-N 0 3 276.380 2.887 20 30 CFEDHN C#CCCCN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000286259685 385579528 /nfs/dbraw/zinc/57/95/28/385579528.db2.gz BAHPNYGNRAMDPD-OAHLLOKOSA-N 0 3 273.376 2.952 20 30 CFEDHN CCOC[C@H](NCc1ccc(C#N)cc1OC)C(C)C ZINC000286296457 385584610 /nfs/dbraw/zinc/58/46/10/385584610.db2.gz VINCNMCCIXENBK-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN CC(C)(C)CCN1CCN(c2ccnc(C#N)c2)CC1 ZINC000286335838 385592923 /nfs/dbraw/zinc/59/29/23/385592923.db2.gz JYWXRDSYVMFPAQ-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000272770981 385609628 /nfs/dbraw/zinc/60/96/28/385609628.db2.gz UIQNQQORSCPONN-UHFFFAOYSA-N 0 3 294.402 2.517 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2OC[C@@H]1C ZINC000272947921 385663150 /nfs/dbraw/zinc/66/31/50/385663150.db2.gz MAQABICXOCQWAX-ZFWWWQNUSA-N 0 3 261.365 2.597 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@H]2CCN(C)C[C@H]2C)c1C#N ZINC000273353969 385678746 /nfs/dbraw/zinc/67/87/46/385678746.db2.gz PODOQSBFWVDAAR-YGRLFVJLSA-N 0 3 292.814 2.692 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000274033692 385703632 /nfs/dbraw/zinc/70/36/32/385703632.db2.gz BUSCMTHMMLXTII-ZBFHGGJFSA-N 0 3 274.339 2.745 20 30 CFEDHN C#CCN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000274031053 385703651 /nfs/dbraw/zinc/70/36/51/385703651.db2.gz KDKZNMNXAWGKNL-UHFFFAOYSA-N 0 3 296.414 2.910 20 30 CFEDHN C#CC[C@H](NC(=O)[C@@H](CC)N(CC)CC)c1ccccc1 ZINC000274063364 385712054 /nfs/dbraw/zinc/71/20/54/385712054.db2.gz MCZKHFKWJGTNBM-DLBZAZTESA-N 0 3 286.419 2.988 20 30 CFEDHN C[C@H]1C[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000274248390 385748753 /nfs/dbraw/zinc/74/87/53/385748753.db2.gz JEEMNQCMWINERU-JQWIXIFHSA-N 0 3 286.335 2.504 20 30 CFEDHN C#CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000274296955 385759867 /nfs/dbraw/zinc/75/98/67/385759867.db2.gz QXDUVUPITHERGS-UHFFFAOYSA-N 0 3 258.365 2.736 20 30 CFEDHN C=CCCC[C@@H](C)N1CCc2nc(COC)ncc2C1 ZINC000639911961 385767356 /nfs/dbraw/zinc/76/73/56/385767356.db2.gz IQEVMHSIZZJPDA-CYBMUJFWSA-N 0 3 275.396 2.726 20 30 CFEDHN C=C(C)CN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917262 385770361 /nfs/dbraw/zinc/77/03/61/385770361.db2.gz CTCKJHPSGQEWSL-GFCCVEGCSA-N 0 3 259.271 2.905 20 30 CFEDHN C=CCCCCNCc1ccc(C(=O)OCC)o1 ZINC000274448904 385800439 /nfs/dbraw/zinc/80/04/39/385800439.db2.gz DTSOUGVSWZSRPE-UHFFFAOYSA-N 0 3 251.326 2.902 20 30 CFEDHN C=C(C)CCN1CCN(CCc2cccs2)CC1 ZINC000274732959 385859805 /nfs/dbraw/zinc/85/98/05/385859805.db2.gz CMTGSVMMMJFDKY-UHFFFAOYSA-N 0 3 264.438 2.874 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000274812379 385876249 /nfs/dbraw/zinc/87/62/49/385876249.db2.gz VOTWTELGGKXONS-OAHLLOKOSA-N 0 3 291.370 2.988 20 30 CFEDHN C[C@H](NCc1ccc(Cl)cc1C#N)[C@@H]1CCOC1 ZINC000274825831 385878954 /nfs/dbraw/zinc/87/89/54/385878954.db2.gz KUNPUZQBHWFKAF-CMPLNLGQSA-N 0 3 264.756 2.726 20 30 CFEDHN C=CCC[C@H](C(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000275190010 385954577 /nfs/dbraw/zinc/95/45/77/385954577.db2.gz YIIDPAJQUXOXBA-KRWDZBQOSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCCCCNC(=O)N[C@H](CC)CN1CCCC1 ZINC000681188501 542422839 /nfs/dbraw/zinc/42/28/39/542422839.db2.gz JQKXGJYNORQDIM-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN CCn1nccc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000681352586 542442390 /nfs/dbraw/zinc/44/23/90/542442390.db2.gz WGAHJQVEQJHKLL-ZDUSSCGKSA-N 0 3 290.326 2.941 20 30 CFEDHN COc1ccc(CN(C)CCCSC)cc1C#N ZINC000281353983 195208749 /nfs/dbraw/zinc/20/87/49/195208749.db2.gz UKPAXNKCPDUSPQ-UHFFFAOYSA-N 0 3 264.394 2.752 20 30 CFEDHN C=CCCCCN1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000574879003 335054796 /nfs/dbraw/zinc/05/47/96/335054796.db2.gz GTCWKFXHYPHOFB-LSDHHAIUSA-N 0 3 253.386 2.613 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(OC)ncc1F ZINC000286993031 196754283 /nfs/dbraw/zinc/75/42/83/196754283.db2.gz JRUFWKARHJXHRB-WQGACYEGSA-N 0 3 294.370 2.861 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186692487 260004758 /nfs/dbraw/zinc/00/47/58/260004758.db2.gz AJBXVNYPVCICMJ-AAEUAGOBSA-N 0 3 294.351 2.581 20 30 CFEDHN C=CC[C@H](C(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000187634629 260041710 /nfs/dbraw/zinc/04/17/10/260041710.db2.gz WFHXQNFISPMATE-KRWDZBQOSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000682498513 542560013 /nfs/dbraw/zinc/56/00/13/542560013.db2.gz RJOUVQFROUKBBK-LBPRGKRZSA-N 0 3 251.374 2.626 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)=C(C)C2)CC1 ZINC000281751279 195365659 /nfs/dbraw/zinc/36/56/59/195365659.db2.gz SAHQERFEWLCZTJ-UHFFFAOYSA-N 0 3 291.439 2.779 20 30 CFEDHN C#CC[C@H](NCC1(CC(=O)OC)CC1)c1ccccc1 ZINC000281642621 195319189 /nfs/dbraw/zinc/31/91/89/195319189.db2.gz MNVXKEOBCQJTRJ-HNNXBMFYSA-N 0 3 271.360 2.684 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CNCc2cccc(C#N)c2)c1 ZINC000283073719 195785321 /nfs/dbraw/zinc/78/53/21/195785321.db2.gz UZZJCXCXLGVBDX-GOSISDBHSA-N 0 3 280.371 2.998 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000336002170 533237452 /nfs/dbraw/zinc/23/74/52/533237452.db2.gz VSFRZIWZNOVITP-JGVFFNPUSA-N 0 3 254.692 2.816 20 30 CFEDHN N#Cc1cccc(C2(NCCc3cccnc3)CC2)c1 ZINC000341973529 130184427 /nfs/dbraw/zinc/18/44/27/130184427.db2.gz QHSANZRBOJFVNG-UHFFFAOYSA-N 0 3 263.344 2.775 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1nccc(C#N)c1Cl ZINC000342224965 130397546 /nfs/dbraw/zinc/39/75/46/130397546.db2.gz OLSXXHPUCBWWTE-VXGBXAGGSA-N 0 3 292.814 2.703 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](CC)CN1CCCC1 ZINC000683840118 542733401 /nfs/dbraw/zinc/73/34/01/542733401.db2.gz QQNWEEWSKOJECS-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000684093867 542764241 /nfs/dbraw/zinc/76/42/41/542764241.db2.gz DNFCNJKXXWOUOF-PVAVHDDUSA-N 0 3 275.392 2.681 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccco2)C1 ZINC000374002747 393479903 /nfs/dbraw/zinc/47/99/03/393479903.db2.gz NBXMKUBDKLNWSL-GJZGRUSLSA-N 0 3 288.391 2.658 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000372854642 393457716 /nfs/dbraw/zinc/45/77/16/393457716.db2.gz DCPUDTXAYWOKAD-ZWKOTPCHSA-N 0 3 298.430 2.969 20 30 CFEDHN C=CCN1CCC(Nc2cc(C)nc(C(C)C)n2)CC1 ZINC000301383156 393470613 /nfs/dbraw/zinc/47/06/13/393470613.db2.gz BCGSPGYBQFIELD-UHFFFAOYSA-N 0 3 274.412 2.971 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373975052 393477611 /nfs/dbraw/zinc/47/76/11/393477611.db2.gz TWUXCYCIAAPDBE-BFYDXBDKSA-N 0 3 294.439 2.975 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186315736 393543218 /nfs/dbraw/zinc/54/32/18/393543218.db2.gz PRJMHDYTGVEMEQ-UHFFFAOYSA-N 0 3 272.392 2.851 20 30 CFEDHN C=CCCCC(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374314348 393492248 /nfs/dbraw/zinc/49/22/48/393492248.db2.gz WDQGHDSVBKLGGE-HZPDHXFCSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000304118670 393498630 /nfs/dbraw/zinc/49/86/30/393498630.db2.gz PNKKXKSBARPZHA-GFCCVEGCSA-N 0 3 289.297 2.563 20 30 CFEDHN C=CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182812834 393513741 /nfs/dbraw/zinc/51/37/41/393513741.db2.gz HKXCDJBWKBIENC-JTQLQIEISA-N 0 3 259.275 2.725 20 30 CFEDHN C=CCCCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000183182448 393516609 /nfs/dbraw/zinc/51/66/09/393516609.db2.gz KGKVGLMGKGHGTC-RHSMWYFYSA-N 0 3 251.395 2.662 20 30 CFEDHN COCC1=CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186337986 393545425 /nfs/dbraw/zinc/54/54/25/393545425.db2.gz KFWFKJNKIHPDHF-UHFFFAOYSA-N 0 3 256.349 2.645 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OCCC)c1 ZINC000184268182 393526411 /nfs/dbraw/zinc/52/64/11/393526411.db2.gz BUQUTFSQUKBOLE-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)N(C)C1CC1 ZINC000329471869 393537596 /nfs/dbraw/zinc/53/75/96/393537596.db2.gz ZUMNGOPHOWALHB-VXGBXAGGSA-N 0 3 281.400 2.572 20 30 CFEDHN CC1(C)CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330176246 393551724 /nfs/dbraw/zinc/55/17/24/393551724.db2.gz CDOYMTPPIJICSR-OLZOCXBDSA-N 0 3 290.411 2.670 20 30 CFEDHN CC1(C)CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330176246 393551726 /nfs/dbraw/zinc/55/17/26/393551726.db2.gz CDOYMTPPIJICSR-OLZOCXBDSA-N 0 3 290.411 2.670 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000187606784 393556172 /nfs/dbraw/zinc/55/61/72/393556172.db2.gz PCBVOGLEOXIQAZ-QGZVFWFLSA-N 0 3 272.392 2.851 20 30 CFEDHN Cc1ccccc1C[C@@H](CO)NCc1cc(C#N)cs1 ZINC000188922672 393569118 /nfs/dbraw/zinc/56/91/18/393569118.db2.gz NQARKSDADCMUOP-HNNXBMFYSA-N 0 3 286.400 2.621 20 30 CFEDHN C=CCCOCCNCc1ccc(N(C)C(C)C)nc1 ZINC000191488949 393596995 /nfs/dbraw/zinc/59/69/95/393596995.db2.gz ZJXLMSQAOSEDFO-UHFFFAOYSA-N 0 3 277.412 2.609 20 30 CFEDHN Cc1n[nH]cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334445513 393601017 /nfs/dbraw/zinc/60/10/17/393601017.db2.gz OLHXLSGDWYKSAJ-INIZCTEOSA-N 0 3 266.348 2.757 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000334300544 393591341 /nfs/dbraw/zinc/59/13/41/393591341.db2.gz UVFBICLELAAJFA-QMTHXVAHSA-N 0 3 280.730 2.897 20 30 CFEDHN Cc1cccc(C)c1NC(=O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192603215 393628155 /nfs/dbraw/zinc/62/81/55/393628155.db2.gz WLBHQYVPZRMLPB-LSDHHAIUSA-N 0 3 285.391 2.914 20 30 CFEDHN Cc1cccc(C)c1NC(=O)CN[C@H]1CCC[C@@H](C#N)C1 ZINC000192603252 393628255 /nfs/dbraw/zinc/62/82/55/393628255.db2.gz WLBHQYVPZRMLPB-CABCVRRESA-N 0 3 285.391 2.914 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000072018969 393642598 /nfs/dbraw/zinc/64/25/98/393642598.db2.gz LFPWYRQLYWPIAN-HNNXBMFYSA-N 0 3 278.371 2.805 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000336444295 393735327 /nfs/dbraw/zinc/73/53/27/393735327.db2.gz UNOCBGBUGMHZNT-HIFRSBDPSA-N 0 3 256.349 2.770 20 30 CFEDHN CCN(CCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000411749171 393745193 /nfs/dbraw/zinc/74/51/93/393745193.db2.gz UWEMQHNYYHGTQA-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@@H](C2CCC2)C1 ZINC000411840272 393753742 /nfs/dbraw/zinc/75/37/42/393753742.db2.gz CJXHWMAMGPNZEJ-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN C[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)N1[C@H](C)CC[C@@H]1C ZINC000412295319 393766330 /nfs/dbraw/zinc/76/63/30/393766330.db2.gz UKUTYUKGVZNYFL-LXTVHRRPSA-N 0 3 291.439 2.788 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@](CO)(c2ccccc2)C1 ZINC000338327017 393781622 /nfs/dbraw/zinc/78/16/22/393781622.db2.gz DOMZDZNCCIHFBF-SFHVURJKSA-N 0 3 286.419 2.952 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000338344525 393781890 /nfs/dbraw/zinc/78/18/90/393781890.db2.gz NFXNPSMWOKUJFE-CABCVRRESA-N 0 3 293.455 2.895 20 30 CFEDHN CCCCN(C)C(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338930678 393805360 /nfs/dbraw/zinc/80/53/60/393805360.db2.gz WGSMOEJOFZQZTN-GDBMZVCRSA-N 0 3 291.439 2.649 20 30 CFEDHN CN(CCCC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000339003463 393808960 /nfs/dbraw/zinc/80/89/60/393808960.db2.gz MOWHOEAZVRGDMO-QWHCGFSZSA-N 0 3 266.385 2.732 20 30 CFEDHN N#CCCOCCN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000339036083 393812127 /nfs/dbraw/zinc/81/21/27/393812127.db2.gz DXJJYTKADNKPQO-UHFFFAOYSA-N 0 3 298.390 2.673 20 30 CFEDHN N#CCCOCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000339058396 393814040 /nfs/dbraw/zinc/81/40/40/393814040.db2.gz CTZKNFNGSDCQBV-HNNXBMFYSA-N 0 3 294.782 2.723 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000339086283 393816927 /nfs/dbraw/zinc/81/69/27/393816927.db2.gz ZWZLOEFLHOLGQT-HNNXBMFYSA-N 0 3 285.391 2.785 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@H](C)N1CCCC[C@H]1C)OCC ZINC000339422017 393824831 /nfs/dbraw/zinc/82/48/31/393824831.db2.gz RDVXCFLLJFCVSZ-PMPSAXMXSA-N 0 3 296.455 2.737 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000118397753 393911197 /nfs/dbraw/zinc/91/11/97/393911197.db2.gz YKMFHJDLBRLRRC-CJNGLKHVSA-N 0 3 281.363 2.548 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H](C)CC ZINC000343488887 393886526 /nfs/dbraw/zinc/88/65/26/393886526.db2.gz XAZFJPJNRMJRCA-KBPBESRZSA-N 0 3 254.418 2.777 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000343505354 393886664 /nfs/dbraw/zinc/88/66/64/393886664.db2.gz MVGVKNDIQORMTE-CZUORRHYSA-N 0 3 285.391 2.610 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000344031670 393894292 /nfs/dbraw/zinc/89/42/92/393894292.db2.gz CRFJLILCYRIRSC-AWEZNQCLSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)CC(F)F ZINC000345701519 393914111 /nfs/dbraw/zinc/91/41/11/393914111.db2.gz VXCSBSNTWSLZHL-LBPRGKRZSA-N 0 3 274.355 2.564 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000345496087 393909728 /nfs/dbraw/zinc/90/97/28/393909728.db2.gz YJQUUJGFJQEZAQ-WDEREUQCSA-N 0 3 287.450 2.842 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2c(s1)CCC2 ZINC000684767372 542851170 /nfs/dbraw/zinc/85/11/70/542851170.db2.gz GSOZIAHZRFANJZ-IAQYHMDHSA-N 0 3 278.421 2.703 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000345752508 393916851 /nfs/dbraw/zinc/91/68/51/393916851.db2.gz AVFDYOANUMVGMJ-NSHDSACASA-N 0 3 280.755 2.727 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000346206773 393923366 /nfs/dbraw/zinc/92/33/66/393923366.db2.gz YTTLWUHIJOXNMD-XHDPSFHLSA-N 0 3 283.306 2.586 20 30 CFEDHN CC(C)C[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346385286 393928073 /nfs/dbraw/zinc/92/80/73/393928073.db2.gz MZYTXXOGDAKGKP-CABCVRRESA-N 0 3 291.439 2.695 20 30 CFEDHN C=C[C@@](C)(O)CC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000346151483 393921683 /nfs/dbraw/zinc/92/16/83/393921683.db2.gz PTGXFPPRPUBRPR-QGZVFWFLSA-N 0 3 290.407 2.794 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNc1ccc(C#N)c(C)n1)c1ccco1 ZINC000487716731 394020551 /nfs/dbraw/zinc/02/05/51/394020551.db2.gz GIFDYHJQMUQPRJ-DOMZBBRYSA-N 0 3 298.390 2.818 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(F)c(C#N)c1 ZINC000429704563 393953517 /nfs/dbraw/zinc/95/35/17/393953517.db2.gz ADZMNVXVTDIZNV-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN C[C@@H](N[C@H]1CCN(CC(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000417385235 393954339 /nfs/dbraw/zinc/95/43/39/393954339.db2.gz LWKLQMZCUSBYIF-MFKMUULPSA-N 0 3 297.324 2.687 20 30 CFEDHN C[C@H](N[C@H]1CCN(CC(F)F)C1)c1ccc(C#N)cc1F ZINC000417389578 393954650 /nfs/dbraw/zinc/95/46/50/393954650.db2.gz PRCRVUOUNQGZDK-JQWIXIFHSA-N 0 3 297.324 2.687 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCSC1 ZINC000348633618 393955566 /nfs/dbraw/zinc/95/55/66/393955566.db2.gz KNHWQYXTJMBVPY-CYBMUJFWSA-N 0 3 281.421 2.903 20 30 CFEDHN COc1cc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000348683264 393956488 /nfs/dbraw/zinc/95/64/88/393956488.db2.gz OJIZDCGPCYIMQG-SCRDCRAPSA-N 0 3 259.353 2.823 20 30 CFEDHN CCC[C@H]1CN(CCCC(C)(C)C#N)CCN1CCOC ZINC000121762485 393959542 /nfs/dbraw/zinc/95/95/42/393959542.db2.gz YNAJFIMEGJMDMZ-INIZCTEOSA-N 0 3 295.471 2.749 20 30 CFEDHN C=CCCCCNC(=O)NCCN1CCCC[C@@H]1C ZINC000349054372 393962309 /nfs/dbraw/zinc/96/23/09/393962309.db2.gz PXLGEDZSNMKACM-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN CC[C@@H](C#N)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000122202221 393966048 /nfs/dbraw/zinc/96/60/48/393966048.db2.gz RFXTYPTYXIILFC-HNNXBMFYSA-N 0 3 286.423 2.851 20 30 CFEDHN C=CCOc1ccccc1CN(C)CCCn1ccnc1 ZINC000349387022 393969104 /nfs/dbraw/zinc/96/91/04/393969104.db2.gz UJSBARPPVXJWSX-UHFFFAOYSA-N 0 3 285.391 2.970 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349591777 393971398 /nfs/dbraw/zinc/97/13/98/393971398.db2.gz VHEPOPIJRSYKFA-KCPJHIHWSA-N 0 3 290.338 2.664 20 30 CFEDHN CC(C)N1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000265162339 393972584 /nfs/dbraw/zinc/97/25/84/393972584.db2.gz FGTOPETWZHAXEC-NSHDSACASA-N 0 3 298.312 2.867 20 30 CFEDHN CC(C)O[C@@H]1C[C@H](NCc2ccc(C#N)o2)C1(C)C ZINC000274203852 394039949 /nfs/dbraw/zinc/03/99/49/394039949.db2.gz JBOQBSQRJZESDW-UONOGXRCSA-N 0 3 262.353 2.833 20 30 CFEDHN C[C@@H](CN1CCCCC1)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000490919046 394045325 /nfs/dbraw/zinc/04/53/25/394045325.db2.gz HDHXCIIKHJOYGK-KVPUOBJLSA-N 0 3 297.402 2.562 20 30 CFEDHN N#CC(C(=O)c1cccc(C(F)(F)F)c1)c1ccncn1 ZINC000354480541 394047781 /nfs/dbraw/zinc/04/77/81/394047781.db2.gz XJTUWQBLOVMEPR-NSHDSACASA-N 0 3 291.232 2.985 20 30 CFEDHN C#C[C@@H](NC(=N)Nc1ccccn1)c1ccc(F)cc1 ZINC000491387293 394049200 /nfs/dbraw/zinc/04/92/00/394049200.db2.gz XTMABNNPHZJSKG-CYBMUJFWSA-N 0 3 268.295 2.531 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000492934059 394102071 /nfs/dbraw/zinc/10/20/71/394102071.db2.gz VIDSRIMHKQWYOZ-MDZDMXLPSA-N 0 3 299.418 2.618 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000355283492 394062220 /nfs/dbraw/zinc/06/22/20/394062220.db2.gz SWHZTNUTXBWGGE-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN CN(C)C/C=C\C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000492600138 394072807 /nfs/dbraw/zinc/07/28/07/394072807.db2.gz ZANXJHGMMSMECO-SREVYHEPSA-N 0 3 291.439 2.719 20 30 CFEDHN CN(CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000126452058 394028437 /nfs/dbraw/zinc/02/84/37/394028437.db2.gz VEVZSRWCXXHMDM-UHFFFAOYSA-N 0 3 290.370 2.880 20 30 CFEDHN CC(C)CN1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000130872307 394120556 /nfs/dbraw/zinc/12/05/56/394120556.db2.gz VDPQBPANXZLKMW-AWEZNQCLSA-N 0 3 275.396 2.751 20 30 CFEDHN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C(C)C#N)cc2)n1 ZINC000359329873 394129823 /nfs/dbraw/zinc/12/98/23/394129823.db2.gz MNGRNEYDDORJDY-BXUZGUMPSA-N 0 3 296.374 2.826 20 30 CFEDHN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C(C)C#N)cc2)n1 ZINC000359329878 394129858 /nfs/dbraw/zinc/12/98/58/394129858.db2.gz MNGRNEYDDORJDY-FZMZJTMJSA-N 0 3 296.374 2.826 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441285998 394137230 /nfs/dbraw/zinc/13/72/30/394137230.db2.gz YXQFUNHYOYNJSD-IRXDYDNUSA-N 0 3 287.378 2.926 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000360373315 394150239 /nfs/dbraw/zinc/15/02/39/394150239.db2.gz QMOPWCOAZAPYBU-LURJTMIESA-N 0 3 292.207 2.759 20 30 CFEDHN C=CCC[C@H](NCCC(=O)NC(C)C)c1ccco1 ZINC000285824995 394151849 /nfs/dbraw/zinc/15/18/49/394151849.db2.gz WQFCFCKHAIGIOU-ZDUSSCGKSA-N 0 3 264.369 2.791 20 30 CFEDHN CCCCN(CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000132614401 394158481 /nfs/dbraw/zinc/15/84/81/394158481.db2.gz KTCMJACVDPQTLO-INIZCTEOSA-N 0 3 285.391 2.786 20 30 CFEDHN CC#CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC ZINC000286540924 394197434 /nfs/dbraw/zinc/19/74/34/394197434.db2.gz YRUNUWGOZUPIOH-OAHLLOKOSA-N 0 3 292.810 2.862 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287269444 394203243 /nfs/dbraw/zinc/20/32/43/394203243.db2.gz HQJHZIUPWUSPOO-WMLDXEAASA-N 0 3 297.402 2.564 20 30 CFEDHN CN1CC[C@H](CNc2ccncc2C#N)[C@H]1c1cccs1 ZINC000364372128 394206311 /nfs/dbraw/zinc/20/63/11/394206311.db2.gz QPBCEPLGTQFULV-WBMJQRKESA-N 0 3 298.415 2.542 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](O)c1ccccc1 ZINC000288614984 394212994 /nfs/dbraw/zinc/21/29/94/394212994.db2.gz RAJKTGOUTGJZPJ-IAQYHMDHSA-N 0 3 272.373 2.831 20 30 CFEDHN CC[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)OC ZINC000290307943 394228386 /nfs/dbraw/zinc/22/83/86/394228386.db2.gz ZMWOGWQBQNZDNG-TZMCWYRMSA-N 0 3 262.353 2.665 20 30 CFEDHN C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(C#N)cc1 ZINC000290441498 394229167 /nfs/dbraw/zinc/22/91/67/394229167.db2.gz VPIIGTDGFALJCE-BJOOFOGMSA-N 0 3 294.354 2.703 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1cccc(C#N)c1 ZINC000136297557 394232985 /nfs/dbraw/zinc/23/29/85/394232985.db2.gz GTVILMBSKBCYSS-UHFFFAOYSA-N 0 3 268.364 2.585 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(O)(c2ccccc2C)CC1 ZINC000366166461 394240518 /nfs/dbraw/zinc/24/05/18/394240518.db2.gz YLWVODVXCOQYAF-MRXNPFEDSA-N 0 3 289.419 2.606 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000286051737 394184302 /nfs/dbraw/zinc/18/43/02/394184302.db2.gz KELZHPSOLJEUCV-ZDUSSCGKSA-N 0 3 279.380 2.865 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)Cc1ccccc1 ZINC000421343735 394192737 /nfs/dbraw/zinc/19/27/37/394192737.db2.gz QMRCFIIKHSRILV-ACJLOTCBSA-N 0 3 298.361 2.779 20 30 CFEDHN CN1CCC[C@H]2CN(c3nc(Cl)c(C#N)s3)CC[C@H]21 ZINC000286117616 394193444 /nfs/dbraw/zinc/19/34/44/394193444.db2.gz GMJZMFKSCIMZEU-VHSXEESVSA-N 0 3 296.827 2.589 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N1CCCCC1 ZINC000150900138 394255637 /nfs/dbraw/zinc/25/56/37/394255637.db2.gz DQYCVCVADVDIOY-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn2cc(Cl)ccc2n1 ZINC000449546783 394280752 /nfs/dbraw/zinc/28/07/52/394280752.db2.gz DTEJIEFUGLKLPW-KGLIPLIRSA-N 0 3 291.782 2.811 20 30 CFEDHN CC#CCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000155093712 394309268 /nfs/dbraw/zinc/30/92/68/394309268.db2.gz QFPOHTSJAIRGRH-HNNXBMFYSA-N 0 3 286.423 2.597 20 30 CFEDHN CC1(C)OCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451247994 394370418 /nfs/dbraw/zinc/37/04/18/394370418.db2.gz YMJVGAQNABASRF-CYBMUJFWSA-N 0 3 296.317 2.817 20 30 CFEDHN Cc1ccccc1N1CCN(CCCSCC#N)CC1 ZINC000173859210 394376908 /nfs/dbraw/zinc/37/69/08/394376908.db2.gz SBFCSZWFKUOXMT-UHFFFAOYSA-N 0 3 289.448 2.764 20 30 CFEDHN CC(C)c1csc(CNC(=N)Nc2ccccn2)n1 ZINC000177935773 394385664 /nfs/dbraw/zinc/38/56/64/394385664.db2.gz QMTADWBKRZVGLB-UHFFFAOYSA-N 0 3 275.381 2.588 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](C)O ZINC000453344851 394388300 /nfs/dbraw/zinc/38/83/00/394388300.db2.gz OCRLVBHUGAJPKU-RBZYPMLTSA-N 0 3 250.317 2.507 20 30 CFEDHN C[C@H](NC[C@H](O)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000453359307 394390364 /nfs/dbraw/zinc/39/03/64/394390364.db2.gz ACGJCDQSJNUYRK-BONVTDFDSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@@H](NC[C@H](O)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000453359305 394390419 /nfs/dbraw/zinc/39/04/19/394390419.db2.gz ACGJCDQSJNUYRK-BMIGLBTASA-N 0 3 262.328 2.509 20 30 CFEDHN Cc1cnc(CCN[C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000453393750 394395728 /nfs/dbraw/zinc/39/57/28/394395728.db2.gz GEVONFPAHHNSOP-GFCCVEGCSA-N 0 3 284.338 2.689 20 30 CFEDHN C[C@@H]1CC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)O1 ZINC000453400816 394397205 /nfs/dbraw/zinc/39/72/05/394397205.db2.gz DEJASWXHGASIDE-DIOULYMOSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(C#N)s1 ZINC000527805226 394410303 /nfs/dbraw/zinc/41/03/03/394410303.db2.gz UUVXCQJKEZAPJW-QISWUMQESA-N 0 3 250.367 2.521 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCN2C2CCCC2)c1 ZINC000527805307 394410575 /nfs/dbraw/zinc/41/05/75/394410575.db2.gz GULQORWZFUZHOS-CQSZACIVSA-N 0 3 275.421 2.726 20 30 CFEDHN CCC#C[C@@H](C)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000685592652 542932607 /nfs/dbraw/zinc/93/26/07/542932607.db2.gz ZPHZUXKCAWPTBP-WBVHZDCISA-N 0 3 268.404 2.925 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457097932 394440795 /nfs/dbraw/zinc/44/07/95/394440795.db2.gz SPNZWNNVPWROQL-ZIAGYGMSSA-N 0 3 252.402 2.530 20 30 CFEDHN CC[C@@H](C)[C@@H](C)NCc1cccc(C(=O)OC)c1C#N ZINC000543472058 394732416 /nfs/dbraw/zinc/73/24/16/394732416.db2.gz OVMMHLKDDWWTFX-VXGBXAGGSA-N 0 3 274.364 2.869 20 30 CFEDHN CN1CCN(CC#Cc2ccc(Cl)cc2)CC1(C)C ZINC000556085269 394990003 /nfs/dbraw/zinc/99/00/03/394990003.db2.gz NYDPXQYDAYVMBP-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCCc2ccccc21 ZINC000594426934 395103431 /nfs/dbraw/zinc/10/34/31/395103431.db2.gz GMXJEGQALGNQMT-HNNXBMFYSA-N 0 3 285.391 2.767 20 30 CFEDHN CCN(C(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000558655664 395068676 /nfs/dbraw/zinc/06/86/76/395068676.db2.gz DHNHJKHKPCAEQU-GJZGRUSLSA-N 0 3 299.418 2.810 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(Br)cn1 ZINC000564783666 395082158 /nfs/dbraw/zinc/08/21/58/395082158.db2.gz RNVHRRMSIGYYJP-GHMZBOCLSA-N 0 3 299.212 2.679 20 30 CFEDHN C=CCN[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000179785552 543007883 /nfs/dbraw/zinc/00/78/83/543007883.db2.gz MUVLWIUGBIBTAD-GFCCVEGCSA-N 0 3 265.353 2.557 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2cccnc21 ZINC000648763372 395301720 /nfs/dbraw/zinc/30/17/20/395301720.db2.gz DTJTYVDDPAYKAG-KFWWJZLASA-N 0 3 258.365 2.782 20 30 CFEDHN C=C(CC)CNCc1ccc(C(=O)NC2CC2)cc1 ZINC000648840060 395334354 /nfs/dbraw/zinc/33/43/54/395334354.db2.gz IFMLMDVXKABWOB-UHFFFAOYSA-N 0 3 258.365 2.635 20 30 CFEDHN C=CCN(CC=C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647958432 395465478 /nfs/dbraw/zinc/46/54/78/395465478.db2.gz WFKVANXUASSVFD-OAHLLOKOSA-N 0 3 278.440 2.945 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CN(CC)C[C@H]2C)CCCCC1 ZINC000649164467 395443680 /nfs/dbraw/zinc/44/36/80/395443680.db2.gz MJMCTJNQRJZUQN-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CN(CC)C[C@H]2C)CCCC1 ZINC000649164472 395443705 /nfs/dbraw/zinc/44/37/05/395443705.db2.gz NBOCJOKIBRJFCP-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H]1CCCN1C ZINC000649475523 395504914 /nfs/dbraw/zinc/50/49/14/395504914.db2.gz DWQYTBJCOFYMRM-CYBMUJFWSA-N 0 3 250.411 2.830 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC(C)C)ccn1 ZINC000649622390 395541113 /nfs/dbraw/zinc/54/11/13/395541113.db2.gz FDPMGWHSDQSDTI-CVEARBPZSA-N 0 3 276.380 2.692 20 30 CFEDHN C=C(C)[C@H](CO)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000649344471 395476193 /nfs/dbraw/zinc/47/61/93/395476193.db2.gz FPFSNBFAYLASRC-ABHNRTSZSA-N 0 3 294.483 2.756 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649662731 395548803 /nfs/dbraw/zinc/54/88/03/395548803.db2.gz NRXXHFRZDUIKNM-CVEARBPZSA-N 0 3 263.356 2.726 20 30 CFEDHN C=CCC[C@H](O)CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000649710698 395556496 /nfs/dbraw/zinc/55/64/96/395556496.db2.gz JWZNTXZVMHSLIW-JTQLQIEISA-N 0 3 281.293 2.680 20 30 CFEDHN C=CCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649750621 395565327 /nfs/dbraw/zinc/56/53/27/395565327.db2.gz SWJODSJAIFJCPN-MSOLQXFVSA-N 0 3 286.419 2.538 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)CCN1CCCCC1 ZINC000649889292 395585163 /nfs/dbraw/zinc/58/51/63/395585163.db2.gz SQLPUNCNIKBRFR-UHFFFAOYSA-N 0 3 274.383 2.595 20 30 CFEDHN C=CCOCCN1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649895229 395586605 /nfs/dbraw/zinc/58/66/05/395586605.db2.gz GSBHQEUQHIJKHE-CYBMUJFWSA-N 0 3 263.356 2.990 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCSc2c(F)cccc21 ZINC000186683680 543053401 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/nfs/dbraw/zinc/21/06/42/413210642.db2.gz RGGAMXPITFPGSN-CYBMUJFWSA-N 0 3 293.436 2.760 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](C)O ZINC000356346322 155235015 /nfs/dbraw/zinc/23/50/15/155235015.db2.gz PUQDSMJXBCMQDO-SNVBAGLBSA-N 0 3 286.297 2.780 20 30 CFEDHN CC[C@](C)(CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356432204 155264246 /nfs/dbraw/zinc/26/42/46/155264246.db2.gz FXOPBSOEHKWSJW-CYBMUJFWSA-N 0 3 286.297 2.828 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NCc1cc(C#N)cs1 ZINC000574099087 413274374 /nfs/dbraw/zinc/27/43/74/413274374.db2.gz GUWWYQMWIJLNRD-CYBMUJFWSA-N 0 3 277.437 2.830 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000660396696 413286940 /nfs/dbraw/zinc/28/69/40/413286940.db2.gz NOMCAVZTWPUWRB-CVEARBPZSA-N 0 3 293.455 2.716 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2CCCC(C)(C)C2)n1 ZINC000343089028 154111285 /nfs/dbraw/zinc/11/12/85/154111285.db2.gz CEADKEWUZCITPN-UHFFFAOYSA-N 0 3 272.396 2.796 20 30 CFEDHN Cc1nccn1C[C@@H](C)CNCc1ccc(C#N)cc1F ZINC000343154747 154128168 /nfs/dbraw/zinc/12/81/68/154128168.db2.gz SAXWOZVPFKWBQQ-LBPRGKRZSA-N 0 3 286.354 2.628 20 30 CFEDHN CC[C@H](C)N[C@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000343253117 154156530 /nfs/dbraw/zinc/15/65/30/154156530.db2.gz RJNFHDFEFWJYLJ-GXTWGEPZSA-N 0 3 284.363 2.509 20 30 CFEDHN CCCN(CCN1CCCC1)c1nccc(C#N)c1Cl ZINC000343269686 154163272 /nfs/dbraw/zinc/16/32/72/154163272.db2.gz YTHQGAIYAGPIJE-UHFFFAOYSA-N 0 3 292.814 2.919 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1F)[C@H]1CCCOC1 ZINC000348138644 154336583 /nfs/dbraw/zinc/33/65/83/154336583.db2.gz FZZSBDQAPDVBHK-RISCZKNCSA-N 0 3 262.328 2.602 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2CCO)c(Cl)c1 ZINC000348183546 154352309 /nfs/dbraw/zinc/35/23/09/154352309.db2.gz NFEGCXOPTFDKJT-WFASDCNBSA-N 0 3 278.783 2.852 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000355782805 155085676 /nfs/dbraw/zinc/08/56/76/155085676.db2.gz FWEYBXJZHCIPHR-QLFBSQMISA-N 0 3 299.418 2.541 20 30 CFEDHN CN1CCN(Cc2ccc(Cl)cc2C#N)C(C)(C)C1 ZINC000360132470 156029817 /nfs/dbraw/zinc/02/98/17/156029817.db2.gz PNTCFQDNBNTJHV-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN CCCCN(C)CCNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360197082 156048264 /nfs/dbraw/zinc/04/82/64/156048264.db2.gz DEIOBKFZFVQCRN-AWEZNQCLSA-N 0 3 287.407 2.510 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(C#N)s1)N1CCCC[C@H]1C ZINC000362956539 156127390 /nfs/dbraw/zinc/12/73/90/156127390.db2.gz ACJFYBTVEZIUPB-NEPJUHHUSA-N 0 3 291.420 2.612 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000373819277 157034247 /nfs/dbraw/zinc/03/42/47/157034247.db2.gz WWMZVNTXHVNXMU-NUEKZKHPSA-N 0 3 288.366 2.943 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373819276 157034494 /nfs/dbraw/zinc/03/44/94/157034494.db2.gz WWMZVNTXHVNXMU-IMJJTQAJSA-N 0 3 288.366 2.943 20 30 CFEDHN C[C@@H](NCCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374665672 157146528 /nfs/dbraw/zinc/14/65/28/157146528.db2.gz SIMWFDFBWPXANI-CYBMUJFWSA-N 0 3 266.344 2.868 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](C)[C@H]2C)nn1 ZINC000653621020 413407562 /nfs/dbraw/zinc/40/75/62/413407562.db2.gz ZSTXFUXDZHMUHN-GZBFAFLISA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCCCN[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660600383 413422473 /nfs/dbraw/zinc/42/24/73/413422473.db2.gz RGJFHSSODXWLFK-OAHLLOKOSA-N 0 3 277.412 2.570 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCC(C)(C)C2CC2)C1=O ZINC000653657407 413429507 /nfs/dbraw/zinc/42/95/07/413429507.db2.gz WIEYBKMQQZHISV-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc(F)c(F)c2F)o1 ZINC000344323660 162010701 /nfs/dbraw/zinc/01/07/01/162010701.db2.gz JDPRJHVOSKFFNV-UHFFFAOYSA-N 0 3 280.249 2.901 20 30 CFEDHN CC(C)n1cc2c(n1)C[C@H](NCc1ccc(C#N)o1)CC2 ZINC000345006862 162159615 /nfs/dbraw/zinc/15/96/15/162159615.db2.gz DHEVAHAOAMCCLI-CYBMUJFWSA-N 0 3 284.363 2.576 20 30 CFEDHN CC(C)[C@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346198765 162349312 /nfs/dbraw/zinc/34/93/12/162349312.db2.gz RMSMXPJLOHNWFB-IAQYHMDHSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@H](CCN[C@@H](C)c1ccc(C#N)c(F)c1)[S@](C)=O ZINC000346200038 162349590 /nfs/dbraw/zinc/34/95/90/162349590.db2.gz QTVGYCLPUPBIEJ-FDMGOTLNSA-N 0 3 282.384 2.505 20 30 CFEDHN CC(C)[C@@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346198764 162350050 /nfs/dbraw/zinc/35/00/50/162350050.db2.gz RMSMXPJLOHNWFB-ABAIWWIYSA-N 0 3 264.344 2.755 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000346202304 162351149 /nfs/dbraw/zinc/35/11/49/162351149.db2.gz YFQIXUWNIATLNE-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000346237835 162359578 /nfs/dbraw/zinc/35/95/78/162359578.db2.gz MTKOCLFRWFXCEX-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000346237836 162360533 /nfs/dbraw/zinc/36/05/33/162360533.db2.gz MTKOCLFRWFXCEX-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)c(F)c2)C1 ZINC000351645188 163165456 /nfs/dbraw/zinc/16/54/56/163165456.db2.gz CQPVSMLSWTZBJK-SWLSCSKDSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(C#N)c(F)c2)C1 ZINC000351645190 163165586 /nfs/dbraw/zinc/16/55/86/163165586.db2.gz CQPVSMLSWTZBJK-WFASDCNBSA-N 0 3 276.355 2.680 20 30 CFEDHN COc1cccc(OC)c1CNCCc1cccc(C#N)c1 ZINC000352852754 163252887 /nfs/dbraw/zinc/25/28/87/163252887.db2.gz IEIGWDCKUQVMIJ-UHFFFAOYSA-N 0 3 296.370 2.908 20 30 CFEDHN CCCN(CCN1CCCC1)Cc1ccccc1C#N ZINC000352867352 163257817 /nfs/dbraw/zinc/25/78/17/163257817.db2.gz IXAOKLCGYNQWAU-UHFFFAOYSA-N 0 3 271.408 2.866 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1cccc(C#N)c1F ZINC000352881661 163259653 /nfs/dbraw/zinc/25/96/53/163259653.db2.gz FNCXUVRVFJGWGW-UHFFFAOYSA-N 0 3 278.371 2.928 20 30 CFEDHN COC(=O)C(C)(C)CCNCc1ccc(C#N)c(C)c1 ZINC000352912970 163268568 /nfs/dbraw/zinc/26/85/68/163268568.db2.gz GJVFFJJOLGWTBC-UHFFFAOYSA-N 0 3 274.364 2.546 20 30 CFEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000353197959 163314768 /nfs/dbraw/zinc/31/47/68/163314768.db2.gz XGLPISGCWWRSQJ-KRWDZBQOSA-N 0 3 299.418 2.747 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCOCC(F)(F)F)CC2 ZINC000353241738 163325490 /nfs/dbraw/zinc/32/54/90/163325490.db2.gz LXZWYPNMWXDZPM-ZDUSSCGKSA-N 0 3 284.281 2.714 20 30 CFEDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(C#N)c(F)c1 ZINC000271913208 287049242 /nfs/dbraw/zinc/04/92/42/287049242.db2.gz BPDDYKWHOKZTFZ-NWDGAFQWSA-N 0 3 272.327 2.633 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C2CCC2)CC1 ZINC000265478960 287131459 /nfs/dbraw/zinc/13/14/59/287131459.db2.gz KYXYWXCHMSKBHX-AWEZNQCLSA-N 0 3 269.392 2.789 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CNCc1ccccc1 ZINC000005002627 170053811 /nfs/dbraw/zinc/05/38/11/170053811.db2.gz ZVHXYTOYXFTGMH-GOSISDBHSA-N 0 3 297.398 2.945 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1 ZINC000020208411 171072732 /nfs/dbraw/zinc/07/27/32/171072732.db2.gz BCRYGHXFPAQQLM-CJNGLKHVSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCCn1cc(CNCCCc2cccc(F)c2)nn1 ZINC000657359609 413495644 /nfs/dbraw/zinc/49/56/44/413495644.db2.gz XFIKDZQSFQVJFH-UHFFFAOYSA-N 0 3 288.370 2.716 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN(CC=C)CC2)C1 ZINC000660708312 413507090 /nfs/dbraw/zinc/50/70/90/413507090.db2.gz XHZJAIFFIOCEEC-OAHLLOKOSA-N 0 3 291.439 2.635 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)c2ccccc2)c(F)c1 ZINC000035186770 172041267 /nfs/dbraw/zinc/04/12/67/172041267.db2.gz JNTXEHXSQIIRPI-INIZCTEOSA-N 0 3 270.307 2.521 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)c2ccccc2)c(F)c1 ZINC000035186769 172041564 /nfs/dbraw/zinc/04/15/64/172041564.db2.gz JNTXEHXSQIIRPI-MRXNPFEDSA-N 0 3 270.307 2.521 20 30 CFEDHN CN(Cc1cccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000035717380 172371101 /nfs/dbraw/zinc/37/11/01/172371101.db2.gz ZENHEGBPXKGUMO-OAHLLOKOSA-N 0 3 272.373 2.785 20 30 CFEDHN C=CCC[C@H](O)CN1C[C@H](C)OC2(CCCCC2)C1 ZINC000653906019 413589875 /nfs/dbraw/zinc/58/98/75/413589875.db2.gz OLPRJPIHZWLFAE-GJZGRUSLSA-N 0 3 267.413 2.737 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)CN1CCCCC1 ZINC000660824754 413594995 /nfs/dbraw/zinc/59/49/95/413594995.db2.gz QSEQNODUTHIHGG-OAGGEKHMSA-N 0 3 291.439 2.753 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC)cc1C ZINC000657481670 413669299 /nfs/dbraw/zinc/66/92/99/413669299.db2.gz HTCZWKUHJATHFD-CVEARBPZSA-N 0 3 261.365 2.827 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@H](C)c2nnc3n2CCC3)C1 ZINC000651755486 413620612 /nfs/dbraw/zinc/62/06/12/413620612.db2.gz PXFWCJWXUUDIST-UPJWGTAASA-N 0 3 260.385 2.620 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCC[C@@H]2C2CC2)nn1 ZINC000657489905 413677424 /nfs/dbraw/zinc/67/74/24/413677424.db2.gz BHUOSASHLUMRLE-GDBMZVCRSA-N 0 3 274.412 2.770 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H](CC)CC2)nn1 ZINC000657496393 413684219 /nfs/dbraw/zinc/68/42/19/413684219.db2.gz SHBYWMLOYOXMAT-KBPBESRZSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000661009586 413706486 /nfs/dbraw/zinc/70/64/86/413706486.db2.gz KMBUVGVUZWVAQE-GJZGRUSLSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccnc(OC)n1 ZINC000657530221 413713786 /nfs/dbraw/zinc/71/37/86/413713786.db2.gz NRPMSXYWCJDHBH-JSGCOSHPSA-N 0 3 261.369 2.710 20 30 CFEDHN N#Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000285474534 196295799 /nfs/dbraw/zinc/29/57/99/196295799.db2.gz COYKZIZWEQYVPK-MRXNPFEDSA-N 0 3 278.359 2.640 20 30 CFEDHN C=CCC1(NCc2ncc(COC)s2)CCOCC1 ZINC000657633121 413810505 /nfs/dbraw/zinc/81/05/05/413810505.db2.gz HUIHOROHTVEKMG-UHFFFAOYSA-N 0 3 282.409 2.504 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCCC1 ZINC000664408212 413748748 /nfs/dbraw/zinc/74/87/48/413748748.db2.gz NEZLDPWDHSWDEG-UKRRQHHQSA-N 0 3 291.439 2.657 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCCC1 ZINC000664408213 413749938 /nfs/dbraw/zinc/74/99/38/413749938.db2.gz NEZLDPWDHSWDEG-ZFWWWQNUSA-N 0 3 291.439 2.657 20 30 CFEDHN C=CCCNCc1c(C(C)C)nc2sc(C)nn12 ZINC000657582780 413769203 /nfs/dbraw/zinc/76/92/03/413769203.db2.gz GBMNRZCDASIFOD-UHFFFAOYSA-N 0 3 264.398 2.888 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661121948 413771256 /nfs/dbraw/zinc/77/12/56/413771256.db2.gz HLPLXGFGQIXYPI-LSDHHAIUSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000657703060 413868820 /nfs/dbraw/zinc/86/88/20/413868820.db2.gz LDDZPYPOUAWRPP-HOTGVXAUSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOCCCNCc1cc(F)c(F)c(F)c1 ZINC000657658117 413827388 /nfs/dbraw/zinc/82/73/88/413827388.db2.gz NKUPBTZXCBFSKC-UHFFFAOYSA-N 0 3 259.271 2.786 20 30 CFEDHN C=CCN(Cc1ccc2c[nH]nc2c1)[C@H](C)COC ZINC000661238438 413837284 /nfs/dbraw/zinc/83/72/84/413837284.db2.gz CISIVDQTMMZSCN-GFCCVEGCSA-N 0 3 259.353 2.586 20 30 CFEDHN C=CCN(C[C@@H](O)CCc1ccccc1)[C@H](C)COC ZINC000661240345 413841019 /nfs/dbraw/zinc/84/10/19/413841019.db2.gz NJXMUNGBNPDZKA-WBVHZDCISA-N 0 3 277.408 2.503 20 30 CFEDHN C=CCN(C[C@@H](OC)C1CCCC1)[C@H](C)COC ZINC000661239163 413841260 /nfs/dbraw/zinc/84/12/60/413841260.db2.gz KAQJNEXMOQHCIQ-UKRRQHHQSA-N 0 3 255.402 2.715 20 30 CFEDHN C=CCN(CCc1nc2ccccc2n1C)[C@H](C)COC ZINC000661242565 413845005 /nfs/dbraw/zinc/84/50/05/413845005.db2.gz QKJWKYFCDYHSIC-CQSZACIVSA-N 0 3 287.407 2.639 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661359702 413917587 /nfs/dbraw/zinc/91/75/87/413917587.db2.gz QLSMLJOSXOMQRQ-CQSZACIVSA-N 0 3 281.444 2.905 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661406125 413953578 /nfs/dbraw/zinc/95/35/78/413953578.db2.gz ICRIWWQXGFKGAH-ZNMIVQPWSA-N 0 3 291.439 2.752 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N(CC)CC(=C)C)C1 ZINC000661376427 413932660 /nfs/dbraw/zinc/93/26/60/413932660.db2.gz BXIUUZARCCURRZ-OAHLLOKOSA-N 0 3 264.413 2.699 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 ZINC000661377975 413935925 /nfs/dbraw/zinc/93/59/25/413935925.db2.gz YCFVERZTMIJMKD-HNNXBMFYSA-N 0 3 284.403 2.864 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000661378908 413935999 /nfs/dbraw/zinc/93/59/99/413935999.db2.gz OEJKEDWSLAVTQD-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cccc(C(N)=O)c2)C1 ZINC000661379062 413938227 /nfs/dbraw/zinc/93/82/27/413938227.db2.gz RTDQYVFKMZUQLD-CYBMUJFWSA-N 0 3 258.365 2.574 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)CC)C1 ZINC000661379174 413938652 /nfs/dbraw/zinc/93/86/52/413938652.db2.gz VJQBPGLTRUYIEQ-HZSPNIEDSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N2CCC(C)CC2)C1 ZINC000661378360 413939378 /nfs/dbraw/zinc/93/93/78/413939378.db2.gz DTCCWELGMNFIGK-CVEARBPZSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000661381329 413940922 /nfs/dbraw/zinc/94/09/22/413940922.db2.gz JCRIHTDPVBDORM-ZDUSSCGKSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CC[C@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000661380298 413941872 /nfs/dbraw/zinc/94/18/72/413941872.db2.gz FHUGQPCAFDFPOF-HNNXBMFYSA-N 0 3 297.402 2.685 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000661379638 413942745 /nfs/dbraw/zinc/94/27/45/413942745.db2.gz FQHLYFDJGCUXRN-OAHLLOKOSA-N 0 3 297.402 2.791 20 30 CFEDHN C=CC[C@@H]1CCCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000661387335 413943475 /nfs/dbraw/zinc/94/34/75/413943475.db2.gz XYVYXKXRLGEFOP-MNOVXSKESA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCC[C@H](NCC[C@@]1(O)CCCOC1)c1ccco1 ZINC000652327466 413891539 /nfs/dbraw/zinc/89/15/39/413891539.db2.gz ZNNYYLUCHXKSRT-HOCLYGCPSA-N 0 3 279.380 2.808 20 30 CFEDHN C[C@@H]1CCCN(CC#Cc2ccccc2)[C@@H]1CCO ZINC000661502240 414014390 /nfs/dbraw/zinc/01/43/90/414014390.db2.gz ZENBDIAVVCLYBB-NVXWUHKLSA-N 0 3 257.377 2.521 20 30 CFEDHN C=CCCC(C)(C)NCc1cn(Cc2cccnc2)nn1 ZINC000657804908 413954467 /nfs/dbraw/zinc/95/44/67/413954467.db2.gz GWUJWMTZILHSLP-UHFFFAOYSA-N 0 3 285.395 2.556 20 30 CFEDHN C=CCCNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000664875225 413986003 /nfs/dbraw/zinc/98/60/03/413986003.db2.gz XVEDLQOCYGHBLW-QWHCGFSZSA-N 0 3 279.384 2.584 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000661446183 413990223 /nfs/dbraw/zinc/99/02/23/413990223.db2.gz RDJVKVDQWKQQTF-YOEHRIQHSA-N 0 3 275.367 2.660 20 30 CFEDHN CCCN(CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000037095036 172949273 /nfs/dbraw/zinc/94/92/73/172949273.db2.gz QXWODUSKYIQYEE-GFCCVEGCSA-N 0 3 259.353 2.617 20 30 CFEDHN C=CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000661570673 414054896 /nfs/dbraw/zinc/05/48/96/414054896.db2.gz JOBMVHRCZRIGPR-INIZCTEOSA-N 0 3 287.407 2.699 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657939499 414068344 /nfs/dbraw/zinc/06/83/44/414068344.db2.gz ZGBZEXQZAAYTEX-GHMZBOCLSA-N 0 3 270.323 2.854 20 30 CFEDHN CC(=O)Nc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037491191 173232655 /nfs/dbraw/zinc/23/26/55/173232655.db2.gz BNLRBHNNEHVPBD-UHFFFAOYSA-N 0 3 279.343 2.806 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666481 414122155 /nfs/dbraw/zinc/12/21/55/414122155.db2.gz ZEJNLIQYMPXKJW-BPQIPLTHSA-N 0 3 271.404 2.886 20 30 CFEDHN C=CCN(CC(=O)N(CC(C)C)C1CC1)C(C)(C)C ZINC000661756976 414195260 /nfs/dbraw/zinc/19/52/60/414195260.db2.gz ZVCJQYWZNOUZQE-UHFFFAOYSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CCN(CCCCCS(=O)(=O)CC)C(C)(C)C ZINC000661760302 414198467 /nfs/dbraw/zinc/19/84/67/414198467.db2.gz PRXRMKBSEGDDLJ-UHFFFAOYSA-N 0 3 275.458 2.878 20 30 CFEDHN C=CCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000658116423 414214320 /nfs/dbraw/zinc/21/43/20/414214320.db2.gz LAMOIZBOEKWSKI-HNNXBMFYSA-N 0 3 259.328 2.814 20 30 CFEDHN C=CCCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000658117501 414217218 /nfs/dbraw/zinc/21/72/18/414217218.db2.gz VOEOBFSJIXAEJN-NSHDSACASA-N 0 3 274.343 2.942 20 30 CFEDHN O[C@@H]1C[C@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000661830024 414243129 /nfs/dbraw/zinc/24/31/29/414243129.db2.gz FJZUYZQXBKUYMA-LSDHHAIUSA-N 0 3 275.779 2.585 20 30 CFEDHN O[C@H]1C[C@@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000661830020 414244301 /nfs/dbraw/zinc/24/43/01/414244301.db2.gz FJZUYZQXBKUYMA-CABCVRRESA-N 0 3 275.779 2.585 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C2CCC2)C1 ZINC000665286325 414260515 /nfs/dbraw/zinc/26/05/15/414260515.db2.gz JFCXSYARHPPIEM-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000655488784 414298656 /nfs/dbraw/zinc/29/86/56/414298656.db2.gz GDHRMEGZBBNYTL-INIZCTEOSA-N 0 3 272.392 2.736 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665555058 414372671 /nfs/dbraw/zinc/37/26/71/414372671.db2.gz XJNWDGHJDXYPOC-UONOGXRCSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000658334776 414384804 /nfs/dbraw/zinc/38/48/04/414384804.db2.gz CRRHNWIGLIOAQL-DGCLKSJQSA-N 0 3 296.798 2.502 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC(C)C)c(Cl)c1 ZINC000662168331 414439839 /nfs/dbraw/zinc/43/98/39/414439839.db2.gz BMUURXMGFSRUAT-GFCCVEGCSA-N 0 3 269.772 2.764 20 30 CFEDHN C=C[C@H](CO)NCCc1c(Cl)cccc1Cl ZINC000662168404 414439960 /nfs/dbraw/zinc/43/99/60/414439960.db2.gz FBRDPYPKMVYPRP-SECBINFHSA-N 0 3 260.164 2.672 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2ccccc2C1 ZINC000662079880 414398470 /nfs/dbraw/zinc/39/84/70/414398470.db2.gz OANJCGRDAVKQAZ-HDICACEKSA-N 0 3 296.414 2.754 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCCCC1 ZINC000662079860 414398828 /nfs/dbraw/zinc/39/88/28/414398828.db2.gz NXTFAFSGJQNXFH-GASCZTMLSA-N 0 3 262.397 2.572 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188016499 260069701 /nfs/dbraw/zinc/06/97/01/260069701.db2.gz CUWQZKWFYMXZKP-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCn1cc(Cl)cn1 ZINC000662088822 414404565 /nfs/dbraw/zinc/40/45/65/414404565.db2.gz OBJSTCWBEYHQND-BETUJISGSA-N 0 3 251.761 2.720 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H]1CC1(C)C ZINC000662348032 414517462 /nfs/dbraw/zinc/51/74/62/414517462.db2.gz POFVZYWAYUGIEY-KGLIPLIRSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCCCCCNC(=O)c1cccc2c1CCNC2 ZINC000662831199 414617340 /nfs/dbraw/zinc/61/73/40/414617340.db2.gz LHAFBDXBJWUOMD-UHFFFAOYSA-N 0 3 272.392 2.809 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000662857515 414621312 /nfs/dbraw/zinc/62/13/12/414621312.db2.gz NNPDSILOTCZHCS-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000659824025 414572386 /nfs/dbraw/zinc/57/23/86/414572386.db2.gz YCJPJSVCLFIPEG-SJORKVTESA-N 0 3 275.392 2.726 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](N)C2CCC2)CCCC1 ZINC000662620265 414577769 /nfs/dbraw/zinc/57/77/69/414577769.db2.gz FCLLRSYLNWBCOY-CQSZACIVSA-N 0 3 264.413 2.757 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC(C)(C)C ZINC000045073496 175302730 /nfs/dbraw/zinc/30/27/30/175302730.db2.gz FHLICBGIRWCDTR-GFCCVEGCSA-N 0 3 273.380 2.863 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000046342221 175395704 /nfs/dbraw/zinc/39/57/04/175395704.db2.gz HKBDEFDTLYSNAZ-INIZCTEOSA-N 0 3 291.391 2.527 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)N(C)CCC#N ZINC000078595479 177357236 /nfs/dbraw/zinc/35/72/36/177357236.db2.gz MZCAQODKKAVVGK-NWDGAFQWSA-N 0 3 293.798 2.751 20 30 CFEDHN CCN1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000078833206 177395792 /nfs/dbraw/zinc/39/57/92/177395792.db2.gz GORFRTOGUKHVCP-UHFFFAOYSA-N 0 3 298.312 2.868 20 30 CFEDHN CC(C#N)C(=O)NCCCc1cccc(Cl)c1 ZINC000347042280 226024789 /nfs/dbraw/zinc/02/47/89/226024789.db2.gz USIAWAMNHFAAPL-JTQLQIEISA-N 0 3 250.729 2.548 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000347120270 226031917 /nfs/dbraw/zinc/03/19/17/226031917.db2.gz XTHURMXHSPCYDU-LLVKDONJSA-N 0 3 299.305 2.789 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000347099561 226048018 /nfs/dbraw/zinc/04/80/18/226048018.db2.gz DUYHJMRMMRGOFO-VHSXEESVSA-N 0 3 284.281 2.912 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000347216863 226089161 /nfs/dbraw/zinc/08/91/61/226089161.db2.gz ZYUBTXCDXCNGIY-ZCFIWIBFSA-N 0 3 291.298 2.673 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000347035827 226023067 /nfs/dbraw/zinc/02/30/67/226023067.db2.gz LJWNVPRMCMEMGC-NSHDSACASA-N 0 3 299.305 2.789 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)C2CCCCC2)CC1 ZINC000171738739 335076651 /nfs/dbraw/zinc/07/66/51/335076651.db2.gz ZANGFCJADBYARW-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CCC(C)C)C2CC2)CC1 ZINC000171738523 335076681 /nfs/dbraw/zinc/07/66/81/335076681.db2.gz JGHZNDNQPHSSNT-UHFFFAOYSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000336428974 227003612 /nfs/dbraw/zinc/00/36/12/227003612.db2.gz LFRSPRXMUUBTIO-LLVKDONJSA-N 0 3 292.766 2.622 20 30 CFEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1ccncn1 ZINC000354468323 227004552 /nfs/dbraw/zinc/00/45/52/227004552.db2.gz LVPLJRVNAKCTPY-LLVKDONJSA-N 0 3 289.241 2.568 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000336608949 227178567 /nfs/dbraw/zinc/17/85/67/227178567.db2.gz DXASZDQMUZOQNT-XJKSGUPXSA-N 0 3 299.418 2.700 20 30 CFEDHN Cc1noc(C)c1CCC(=O)NCCN1CC=C(C)CC1 ZINC000329169945 227337574 /nfs/dbraw/zinc/33/75/74/227337574.db2.gz JLSWCZDJSSOKAB-UHFFFAOYSA-N 0 3 291.395 2.833 20 30 CFEDHN CCc1onc(C)c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000330101515 228039685 /nfs/dbraw/zinc/03/96/85/228039685.db2.gz IBYQSANFFMBLRG-SNVBAGLBSA-N 0 3 277.368 2.500 20 30 CFEDHN C[C@H]1CN(C)CCN1Cc1cccc(OCCCC#N)c1 ZINC000353597891 228128063 /nfs/dbraw/zinc/12/80/63/228128063.db2.gz VBODQRORRUZRHK-HNNXBMFYSA-N 0 3 287.407 2.505 20 30 CFEDHN Cc1cccc(NC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000336012670 228177719 /nfs/dbraw/zinc/17/77/19/228177719.db2.gz XDWXUTRFIXUTOJ-CYBMUJFWSA-N 0 3 271.364 2.558 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000336016217 228178003 /nfs/dbraw/zinc/17/80/03/228178003.db2.gz QUQWTOQUMGYIDJ-SECBINFHSA-N 0 3 293.164 2.714 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCOCC12CCC2 ZINC000333430495 228200486 /nfs/dbraw/zinc/20/04/86/228200486.db2.gz JYKQDGYDMUGXDL-MRXNPFEDSA-N 0 3 298.386 2.540 20 30 CFEDHN C=C(C)[C@@H](NCCC1OCCO1)c1ccc(F)c(F)c1 ZINC000187763798 260056216 /nfs/dbraw/zinc/05/62/16/260056216.db2.gz CLQGZXRZNAZZKF-OAHLLOKOSA-N 0 3 283.318 2.935 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)CC#Cc2ccc(F)cc2)C1 ZINC000187916584 260065836 /nfs/dbraw/zinc/06/58/36/260065836.db2.gz BONDHTJUKCWKJO-WMLDXEAASA-N 0 3 275.367 2.660 20 30 CFEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000407979589 260142452 /nfs/dbraw/zinc/14/24/52/260142452.db2.gz CKLVHXDSIINDJY-ZNMIVQPWSA-N 0 3 291.439 2.553 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000497138791 260179576 /nfs/dbraw/zinc/17/95/76/260179576.db2.gz VSPBALFXSZGIKE-CHWSQXEVSA-N 0 3 293.411 2.716 20 30 CFEDHN N#CCCCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000048571802 260200979 /nfs/dbraw/zinc/20/09/79/260200979.db2.gz XFZIQAMDEXACNL-UHFFFAOYSA-N 0 3 271.364 2.641 20 30 CFEDHN CN(CCn1cc(Cl)cn1)Cc1cccc(C#N)c1 ZINC000312896622 260219646 /nfs/dbraw/zinc/21/96/46/260219646.db2.gz QGYLFFKBMAOCMT-UHFFFAOYSA-N 0 3 274.755 2.540 20 30 CFEDHN C=CCN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000357527112 260228250 /nfs/dbraw/zinc/22/82/50/260228250.db2.gz HJGXWLNDXDJTMO-UHFFFAOYSA-N 0 3 262.309 2.624 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000107071878 260232355 /nfs/dbraw/zinc/23/23/55/260232355.db2.gz YRBSLUPEJPCXJL-UONOGXRCSA-N 0 3 260.381 2.645 20 30 CFEDHN Cc1nn(C)cc1[C@@H]1CCCN1CCC(C)(C)C#N ZINC000363460367 260262365 /nfs/dbraw/zinc/26/23/65/260262365.db2.gz BRPBKOANLDZTEZ-AWEZNQCLSA-N 0 3 260.385 2.805 20 30 CFEDHN N#CCSCCCN1CC(Cc2ccc(F)cc2)C1 ZINC000363466333 260263436 /nfs/dbraw/zinc/26/34/36/260263436.db2.gz FLVICYRQAJTTJN-UHFFFAOYSA-N 0 3 278.396 2.947 20 30 CFEDHN C=C(CC)CNCc1ccc(OC)c(OC)c1OC ZINC000313476884 260297777 /nfs/dbraw/zinc/29/77/77/260297777.db2.gz BMGVZKJTBFTCMO-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN C=C(CC)CNCc1ccc(Br)cn1 ZINC000313496788 260298823 /nfs/dbraw/zinc/29/88/23/260298823.db2.gz JBEJGGQTUMQQMP-UHFFFAOYSA-N 0 3 255.159 2.900 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)C(C)C ZINC000176070562 261263777 /nfs/dbraw/zinc/26/37/77/261263777.db2.gz QOEBWMLRPZPVCL-IXDOHACOSA-N 0 3 290.451 2.847 20 30 CFEDHN CCN1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000368442809 261271550 /nfs/dbraw/zinc/27/15/50/261271550.db2.gz QUSUBYGPNUDOIH-QGZVFWFLSA-N 0 3 299.418 2.628 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CSCCC(C)C)CC1 ZINC000106034125 261320738 /nfs/dbraw/zinc/32/07/38/261320738.db2.gz FCJQOEXGECQWNL-UHFFFAOYSA-N 0 3 298.496 2.922 20 30 CFEDHN COC[C@H](NCCCSCC#N)c1ccc(C)o1 ZINC000184641819 262024949 /nfs/dbraw/zinc/02/49/49/262024949.db2.gz PGSALHLFMFLEMV-LBPRGKRZSA-N 0 3 268.382 2.512 20 30 CFEDHN Cc1nccn1-c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185712351 262067973 /nfs/dbraw/zinc/06/79/73/262067973.db2.gz MUOPLSPKCHWHPX-ZBFHGGJFSA-N 0 3 295.390 2.748 20 30 CFEDHN CCNC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185791340 262071169 /nfs/dbraw/zinc/07/11/69/262071169.db2.gz QUSQFWWCXFHSJL-CZUORRHYSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CCCCCN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497243488 262123235 /nfs/dbraw/zinc/12/32/35/262123235.db2.gz FYMIJSIFBJXIQP-CYBMUJFWSA-N 0 3 254.374 2.505 20 30 CFEDHN CCN(CCN[C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000497284921 262133971 /nfs/dbraw/zinc/13/39/71/262133971.db2.gz JIKVKOUDGPPARC-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000492694424 262230850 /nfs/dbraw/zinc/23/08/50/262230850.db2.gz BQOAHOJSYMNTSJ-LBPRGKRZSA-N 0 3 281.400 2.668 20 30 CFEDHN C=CCCOCCNCc1cnn(Cc2ccccc2)c1 ZINC000120866732 262238280 /nfs/dbraw/zinc/23/82/80/262238280.db2.gz SXGPBKWVVFHQIL-UHFFFAOYSA-N 0 3 285.391 2.614 20 30 CFEDHN C=CC1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000111257677 262258482 /nfs/dbraw/zinc/25/84/82/262258482.db2.gz XAFHCIQUATWEQD-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC1CCN(CC(=O)N(CC)Cc2ccccc2)CC1 ZINC000111259636 262259232 /nfs/dbraw/zinc/25/92/32/262259232.db2.gz FVZVDBOTKCDGAA-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(F)c(Br)c1 ZINC000184283346 262276318 /nfs/dbraw/zinc/27/63/18/262276318.db2.gz SUSVCZPVWDIDRE-JTQLQIEISA-N 0 3 288.160 2.615 20 30 CFEDHN C=CCCCCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000354638854 262279387 /nfs/dbraw/zinc/27/93/87/262279387.db2.gz VPEIDABDOTUEOL-MCIONIFRSA-N 0 3 252.402 2.720 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186719318 262320202 /nfs/dbraw/zinc/32/02/02/262320202.db2.gz OJUGMJDCKKPKKA-JSGCOSHPSA-N 0 3 264.325 2.573 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000186686333 262320582 /nfs/dbraw/zinc/32/05/82/262320582.db2.gz ACPHGWOZYQXTFB-QWRGUYRKSA-N 0 3 271.307 2.876 20 30 CFEDHN C=CCC[C@@H](NCc1c(C)nn(C)c1OC)C1CC1 ZINC000162373127 262329279 /nfs/dbraw/zinc/32/92/79/262329279.db2.gz WBBMDXQFNOJOIY-CQSZACIVSA-N 0 3 263.385 2.572 20 30 CFEDHN C=CCN1CC[C@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000365226317 262352984 /nfs/dbraw/zinc/35/29/84/262352984.db2.gz IEQBCVFAJMRWQV-XJKSGUPXSA-N 0 3 280.412 2.942 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN([C@@H]2CCSC2)CC1 ZINC000365430072 262364872 /nfs/dbraw/zinc/36/48/72/262364872.db2.gz DVSVCIDBNGMETB-OAHLLOKOSA-N 0 3 295.496 2.830 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN(C2CCOCC2)CC1 ZINC000365431789 262364889 /nfs/dbraw/zinc/36/48/89/262364889.db2.gz JLPCRHZLYTZFIA-UHFFFAOYSA-N 0 3 293.455 2.503 20 30 CFEDHN CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(CC)CC ZINC000265466893 262908412 /nfs/dbraw/zinc/90/84/12/262908412.db2.gz RBCDLJBIJIUJPY-OAHLLOKOSA-N 0 3 273.380 2.812 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274407638 263023958 /nfs/dbraw/zinc/02/39/58/263023958.db2.gz FYVDUIVQXZPLMY-SRVKXCTJSA-N 0 3 259.309 2.938 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000277014195 263039240 /nfs/dbraw/zinc/03/92/40/263039240.db2.gz YMGHBMXSIYZCNE-ZDUSSCGKSA-N 0 3 276.405 2.916 20 30 CFEDHN Cc1noc(C[C@H](NCCCC#N)c2ccccc2)n1 ZINC000277371131 263040819 /nfs/dbraw/zinc/04/08/19/263040819.db2.gz XPKRUMINASEQSB-AWEZNQCLSA-N 0 3 270.336 2.555 20 30 CFEDHN CN(C)C(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000278163502 263045612 /nfs/dbraw/zinc/04/56/12/263045612.db2.gz BWCOUELRYYKDFG-CJNGLKHVSA-N 0 3 285.391 2.560 20 30 CFEDHN C=CCOc1ccc(CN2CCCO[C@@H](C)C2)cc1 ZINC000353438630 263054721 /nfs/dbraw/zinc/05/47/21/263054721.db2.gz UTSKMGPBPMUQNU-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279348070 263054894 /nfs/dbraw/zinc/05/48/94/263054894.db2.gz QFJWLXLNWHQVDF-RHSMWYFYSA-N 0 3 295.386 2.889 20 30 CFEDHN CCC(CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279366645 263055056 /nfs/dbraw/zinc/05/50/56/263055056.db2.gz KZCFMIIFCDLPGT-CQSZACIVSA-N 0 3 269.348 2.545 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCCCC2)cc1 ZINC000279568802 263056227 /nfs/dbraw/zinc/05/62/27/263056227.db2.gz YKEGIZGGCHDRAW-QGZVFWFLSA-N 0 3 295.386 2.937 20 30 CFEDHN CC(C)[C@H](CN1CCN(CC#N)CC1)c1ccccc1 ZINC000279721403 263057022 /nfs/dbraw/zinc/05/70/22/263057022.db2.gz UVZRNFHUFDEPLT-KRWDZBQOSA-N 0 3 271.408 2.567 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000340055259 263063833 /nfs/dbraw/zinc/06/38/33/263063833.db2.gz VAKBBWOGFDUBTN-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN Cc1ccc([O-])c(C[NH2+]CC2CCC(C#N)CC2)n1 ZINC000281743375 263071678 /nfs/dbraw/zinc/07/16/78/263071678.db2.gz QPTFJDHJNDLUCR-UHFFFAOYSA-N 0 3 259.353 2.515 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282185416 263074851 /nfs/dbraw/zinc/07/48/51/263074851.db2.gz FYBUFPBVPHTBBM-RYUDHWBXSA-N 0 3 253.349 2.917 20 30 CFEDHN CC(C)SCCON=C(N)c1ccc(CN(C)C)cc1 ZINC000282335702 263075999 /nfs/dbraw/zinc/07/59/99/263075999.db2.gz VOIROBCCYZBLLO-UHFFFAOYSA-N 0 3 295.452 2.527 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CCC1 ZINC000104698989 263078195 /nfs/dbraw/zinc/07/81/95/263078195.db2.gz NAVNBBIBMKIIJB-CJNGLKHVSA-N 0 3 272.392 2.808 20 30 CFEDHN COc1cc(N2CCN(CCCCC#N)CC2)ccc1F ZINC000282727000 263078356 /nfs/dbraw/zinc/07/83/56/263078356.db2.gz IAYMSLXHNMNYRM-UHFFFAOYSA-N 0 3 291.370 2.650 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2ccccc2)CC1 ZINC000340179938 263083595 /nfs/dbraw/zinc/08/35/95/263083595.db2.gz GYHSZALAFJVBRE-NVXWUHKLSA-N 0 3 286.419 2.947 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000285423654 263092932 /nfs/dbraw/zinc/09/29/32/263092932.db2.gz LCGUZONFIAZJEQ-OAHLLOKOSA-N 0 3 259.353 2.627 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1ccccc1CCN(C)C ZINC000286906093 263100145 /nfs/dbraw/zinc/10/01/45/263100145.db2.gz YLGIPCLUTYVDAA-MRXNPFEDSA-N 0 3 273.380 2.669 20 30 CFEDHN CCc1ccc([C@H](O)CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000287305753 263101571 /nfs/dbraw/zinc/10/15/71/263101571.db2.gz DTZPBGTYNSWONE-HYVNUMGLSA-N 0 3 272.392 2.954 20 30 CFEDHN CN(C)c1ccccc1CN(C)CCCSCC#N ZINC000288564441 263104923 /nfs/dbraw/zinc/10/49/23/263104923.db2.gz ARSYLHJYNSGHKM-UHFFFAOYSA-N 0 3 277.437 2.831 20 30 CFEDHN Cc1cnn([C@@H]2CCN(Cc3ccc(OCC#N)cc3)C2)c1 ZINC000289879051 263112493 /nfs/dbraw/zinc/11/24/93/263112493.db2.gz MFNYZJDCUGKPRH-MRXNPFEDSA-N 0 3 296.374 2.541 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291123116 263120277 /nfs/dbraw/zinc/12/02/77/263120277.db2.gz BBLDUZQKNHSBRV-CYBMUJFWSA-N 0 3 286.379 2.561 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)CCCC#N)c1ccsc1 ZINC000292640958 263133370 /nfs/dbraw/zinc/13/33/70/263133370.db2.gz OSCIADIBKDMEHE-CQSZACIVSA-N 0 3 293.436 2.941 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)Cc2ccccc2O1 ZINC000293509747 263142386 /nfs/dbraw/zinc/14/23/86/263142386.db2.gz HYWYTYSDLKVOFR-VNHYZAJKSA-N 0 3 256.349 2.962 20 30 CFEDHN Cc1cc([C@@H](NC(=O)C(C)C#N)C2CC2)ccc1F ZINC000340434014 263145133 /nfs/dbraw/zinc/14/51/33/263145133.db2.gz KXBHKXNJHILPAA-YGRLFVJLSA-N 0 3 260.312 2.861 20 30 CFEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000293833530 263150512 /nfs/dbraw/zinc/15/05/12/263150512.db2.gz BSPXGDHXTWPXMH-INIZCTEOSA-N 0 3 295.386 2.889 20 30 CFEDHN CCC1(CC)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000293833534 263150717 /nfs/dbraw/zinc/15/07/17/263150717.db2.gz BSPXGDHXTWPXMH-MRXNPFEDSA-N 0 3 295.386 2.889 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(O)(c3ccccc3)CC2)C1 ZINC000294649934 263165343 /nfs/dbraw/zinc/16/53/43/263165343.db2.gz QOYNXHJOUYIBJQ-GOEBONIOSA-N 0 3 270.376 2.662 20 30 CFEDHN Cc1cnccc1OC1CCN([C@H](C)CCC#N)CC1 ZINC000298554683 263221718 /nfs/dbraw/zinc/22/17/18/263221718.db2.gz ONSOXCCUXHWGAM-CQSZACIVSA-N 0 3 273.380 2.926 20 30 CFEDHN C[C@@H](CCC#N)N[C@H](CO)c1ccc(Br)cc1 ZINC000298559510 263221769 /nfs/dbraw/zinc/22/17/69/263221769.db2.gz ZULAGZDFZWGGJG-GXFFZTMASA-N 0 3 297.196 2.764 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](CO)c1ccc(Br)cc1 ZINC000298559508 263221954 /nfs/dbraw/zinc/22/19/54/263221954.db2.gz ZULAGZDFZWGGJG-GWCFXTLKSA-N 0 3 297.196 2.764 20 30 CFEDHN CN(C)[C@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000299138730 263232017 /nfs/dbraw/zinc/23/20/17/263232017.db2.gz RIXUMOWLEVBKJY-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN CCOCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000299445800 263242451 /nfs/dbraw/zinc/24/24/51/263242451.db2.gz MBCQHPNQCUMAPT-UHFFFAOYSA-N 0 3 292.379 2.504 20 30 CFEDHN C=CCC[C@@H](NCc1nnc2n1CCCCC2)C1CC1 ZINC000119871026 263279227 /nfs/dbraw/zinc/27/92/27/263279227.db2.gz IFUCUUYCWUTRRZ-CQSZACIVSA-N 0 3 274.412 2.839 20 30 CFEDHN C=C(C)COc1cc(CN[C@@]2(C)CCOC2)ccc1OC ZINC000120127017 263281102 /nfs/dbraw/zinc/28/11/02/263281102.db2.gz YTWYWXAPTPTLIS-KRWDZBQOSA-N 0 3 291.391 2.919 20 30 CFEDHN C=CCOc1ccccc1CN(C)C1CCN(OC)CC1 ZINC000453607381 263282451 /nfs/dbraw/zinc/28/24/51/263282451.db2.gz SNBJMQMRGKEWNF-UHFFFAOYSA-N 0 3 290.407 2.709 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H](CC)COC)cc1 ZINC000120224800 263284611 /nfs/dbraw/zinc/28/46/11/263284611.db2.gz PYJWUNUUOFGLJL-HNNXBMFYSA-N 0 3 261.365 2.603 20 30 CFEDHN C=CC[C@H](CO)CNCc1cnc(C(C)C)s1 ZINC000341279915 263330127 /nfs/dbraw/zinc/33/01/27/263330127.db2.gz UAXKWLFTEAKUJT-NSHDSACASA-N 0 3 254.399 2.541 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](C(C)(C)C)CC1 ZINC000341447961 263335706 /nfs/dbraw/zinc/33/57/06/263335706.db2.gz CNHSIXUZOCTIFY-KGLIPLIRSA-N 0 3 266.429 2.825 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000341509959 263340689 /nfs/dbraw/zinc/34/06/89/263340689.db2.gz NBOOAUJBBPXNIB-OAHLLOKOSA-N 0 3 293.455 2.897 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccccc1OCC ZINC000341879906 263361821 /nfs/dbraw/zinc/36/18/21/263361821.db2.gz VFVRKXIYLHJWGQ-ZIAGYGMSSA-N 0 3 263.381 2.921 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccccc1OCC ZINC000341879904 263362238 /nfs/dbraw/zinc/36/22/38/263362238.db2.gz VFVRKXIYLHJWGQ-KGLIPLIRSA-N 0 3 263.381 2.921 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000341887223 263362902 /nfs/dbraw/zinc/36/29/02/263362902.db2.gz OIVLXIIBXDHAQZ-XJKSGUPXSA-N 0 3 291.391 2.683 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000341886195 263363082 /nfs/dbraw/zinc/36/30/82/263363082.db2.gz XGLABLVUVWLNTP-UWVGGRQHSA-N 0 3 273.298 2.939 20 30 CFEDHN COCC1(C#N)CCN(CCCOc2ccccc2)CC1 ZINC000341981561 263370299 /nfs/dbraw/zinc/37/02/99/263370299.db2.gz FDNHUATYQZWFNZ-UHFFFAOYSA-N 0 3 288.391 2.708 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000416693185 263749972 /nfs/dbraw/zinc/74/99/72/263749972.db2.gz RWLNJHDZDFSGFR-RRFJBIMHSA-N 0 3 293.455 2.713 20 30 CFEDHN Cc1cc2cc(NC(=O)NC[C@H](C)N(C)C)ccc2[nH]1 ZINC000330419598 263934478 /nfs/dbraw/zinc/93/44/78/263934478.db2.gz YXQHRNZLXBQDFF-NSHDSACASA-N 0 3 274.368 2.752 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000330775282 264034983 /nfs/dbraw/zinc/03/49/83/264034983.db2.gz HJPOXGCGNSBHJH-UHFFFAOYSA-N 0 3 296.374 2.513 20 30 CFEDHN CCC[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330968230 264091116 /nfs/dbraw/zinc/09/11/16/264091116.db2.gz DTLPZJUJPCQKAV-BFYDXBDKSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCn1cc(CNCCc2ccc(C(C)C)cc2)nn1 ZINC000425360882 264143146 /nfs/dbraw/zinc/14/31/46/264143146.db2.gz YCPLXHIUFIIOJE-UHFFFAOYSA-N 0 3 284.407 2.920 20 30 CFEDHN CCN1CCC(NC(=O)c2snnc2C(C)(C)C)CC1 ZINC000331163374 264144105 /nfs/dbraw/zinc/14/41/05/264144105.db2.gz DDIVERCLDILINA-UHFFFAOYSA-N 0 3 296.440 2.625 20 30 CFEDHN CCN1CCC(NC(=O)N[C@@H](C)c2ncc(C)s2)CC1 ZINC000331167353 264144667 /nfs/dbraw/zinc/14/46/67/264144667.db2.gz HCOMDKHXVNKCLU-NSHDSACASA-N 0 3 296.440 2.500 20 30 CFEDHN Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000331250412 264181074 /nfs/dbraw/zinc/18/10/74/264181074.db2.gz YXFRWHBJVNQJFT-CYBMUJFWSA-N 0 3 276.380 2.880 20 30 CFEDHN Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000331250412 264181075 /nfs/dbraw/zinc/18/10/75/264181075.db2.gz YXFRWHBJVNQJFT-CYBMUJFWSA-N 0 3 276.380 2.880 20 30 CFEDHN C[C@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331313232 264187310 /nfs/dbraw/zinc/18/73/10/264187310.db2.gz CGCGZMMHMJQYLC-CYBMUJFWSA-N 0 3 271.364 2.889 20 30 CFEDHN CC(C)(CO)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331355199 264207313 /nfs/dbraw/zinc/20/73/13/264207313.db2.gz QIUQLOPEJSQMHN-UHFFFAOYSA-N 0 3 290.407 2.748 20 30 CFEDHN C#CCOc1ccccc1CNCC1(CCOCC)CC1 ZINC000126558963 264218158 /nfs/dbraw/zinc/21/81/58/264218158.db2.gz CBKWMHDIQTWMSB-UHFFFAOYSA-N 0 3 287.403 2.995 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000076810881 264344245 /nfs/dbraw/zinc/34/42/45/264344245.db2.gz JXUNJUTTZRQXTL-KCQAQPDRSA-N 0 3 290.382 2.694 20 30 CFEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(CC#N)cc1 ZINC000425486011 264353960 /nfs/dbraw/zinc/35/39/60/264353960.db2.gz UHVAVHIVSXYAHU-KRWDZBQOSA-N 0 3 271.408 2.525 20 30 CFEDHN C#CCSCCN[C@H](C)c1cccc(F)c1F ZINC000183301421 264550935 /nfs/dbraw/zinc/55/09/35/264550935.db2.gz CVJVGKXITNJETA-SNVBAGLBSA-N 0 3 255.333 2.982 20 30 CFEDHN CCc1ccc(C(C)(C)NCC(=O)NC2(C#N)CCC2)cc1 ZINC000525885959 265032020 /nfs/dbraw/zinc/03/20/20/265032020.db2.gz UTDDUBGDZPYGDR-UHFFFAOYSA-N 0 3 299.418 2.636 20 30 CFEDHN CC(C)C[C@H]1CCCCCN1CC(=O)NC1(C#N)CCC1 ZINC000525886442 265034652 /nfs/dbraw/zinc/03/46/52/265034652.db2.gz UQFOJBBHDNXQPS-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN COc1ccccc1OCCNCc1cccc(C#N)c1 ZINC000011045492 265230652 /nfs/dbraw/zinc/23/06/52/265230652.db2.gz PDACCLZPZAIXGV-UHFFFAOYSA-N 0 3 282.343 2.735 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000519831991 265614480 /nfs/dbraw/zinc/61/44/80/265614480.db2.gz KWFGTFCHKFTQCN-FHSNZYRGSA-N 0 3 293.370 2.996 20 30 CFEDHN C=CCCC1(C(=O)N2CC[C@]3(C2)CCCN(C)C3)CC1 ZINC000356258832 266082385 /nfs/dbraw/zinc/08/23/85/266082385.db2.gz SQBVZTVCAUACPL-MRXNPFEDSA-N 0 3 276.424 2.677 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CC(C)=C[C@@H](C)C2)C1=O ZINC000356320152 266094969 /nfs/dbraw/zinc/09/49/69/266094969.db2.gz NZIMUODLGSDISY-KBMXLJTQSA-N 0 3 276.424 2.698 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000356742720 266167110 /nfs/dbraw/zinc/16/71/10/266167110.db2.gz TVNPCECLCWBQAY-BBRMVZONSA-N 0 3 299.418 2.700 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000357098063 266247260 /nfs/dbraw/zinc/24/72/60/266247260.db2.gz ICQPRDLQKOCBHL-VHSXEESVSA-N 0 3 284.281 2.912 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000357395355 266290181 /nfs/dbraw/zinc/29/01/81/266290181.db2.gz YDKMVSWJDWKZRM-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(SC)cc2)CC1 ZINC000357585861 266331016 /nfs/dbraw/zinc/33/10/16/266331016.db2.gz ZDMOOOLFOLPXMH-UHFFFAOYSA-N 0 3 290.432 2.789 20 30 CFEDHN CCCN(CCC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000357643727 266338669 /nfs/dbraw/zinc/33/86/69/266338669.db2.gz BASVQNRJRGPNFE-ZFWWWQNUSA-N 0 3 267.417 2.551 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000357841839 266375363 /nfs/dbraw/zinc/37/53/63/266375363.db2.gz ZROHFASIRRUFGY-VXGBXAGGSA-N 0 3 255.321 2.627 20 30 CFEDHN C=C(C)CN1CCC(N=c2[nH]c3c(cccc3F)o2)CC1 ZINC000362593239 267015841 /nfs/dbraw/zinc/01/58/41/267015841.db2.gz WAZSXZAVECHKMI-UHFFFAOYSA-N 0 3 289.354 2.841 20 30 CFEDHN C=C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000362611699 267022109 /nfs/dbraw/zinc/02/21/09/267022109.db2.gz FAAMMIDXDPVETG-DZGCQCFKSA-N 0 3 290.382 2.728 20 30 CFEDHN C=CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000362989349 267070620 /nfs/dbraw/zinc/07/06/20/267070620.db2.gz KWIMYIPSARYETA-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115554637 267099797 /nfs/dbraw/zinc/09/97/97/267099797.db2.gz VRQLZXTUYFXKOE-DZKIICNBSA-N 0 3 272.392 2.555 20 30 CFEDHN C#Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000368015234 267134928 /nfs/dbraw/zinc/13/49/28/267134928.db2.gz CGJCWCZWMNGBKQ-GOSISDBHSA-N 0 3 269.388 2.916 20 30 CFEDHN C[C@@H]1CCOCCN1Cc1cccc(OCCCC#N)c1 ZINC000368130316 267146576 /nfs/dbraw/zinc/14/65/76/267146576.db2.gz ARZLEYPINDNEBJ-OAHLLOKOSA-N 0 3 288.391 2.980 20 30 CFEDHN C[C@H](CCC#N)N1CCCN(c2ccccc2C#N)CC1 ZINC000276352799 267148802 /nfs/dbraw/zinc/14/88/02/267148802.db2.gz WWIVROUYHBKATD-OAHLLOKOSA-N 0 3 282.391 2.763 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccc(C)cc3)C2)C1=O ZINC000368534577 267180992 /nfs/dbraw/zinc/18/09/92/267180992.db2.gz NWCFHXJZHHBURE-SJORKVTESA-N 0 3 284.403 2.571 20 30 CFEDHN C=CCCCN1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000369832053 267270930 /nfs/dbraw/zinc/27/09/30/267270930.db2.gz RRYJTZXDOZXOKK-ZDUSSCGKSA-N 0 3 276.384 2.514 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000119280639 267314490 /nfs/dbraw/zinc/31/44/90/267314490.db2.gz VGQNNMVKEFTSCN-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000370502977 267325316 /nfs/dbraw/zinc/32/53/16/267325316.db2.gz MQHWCQIBOIGHJZ-AWEZNQCLSA-N 0 3 288.391 2.699 20 30 CFEDHN C#CCCN1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000371184559 267360583 /nfs/dbraw/zinc/36/05/83/267360583.db2.gz OECCDWBGUMCYLM-CYBMUJFWSA-N 0 3 264.756 2.602 20 30 CFEDHN Cc1csc(N2CCC(NCC3(C#N)CCC3)CC2)n1 ZINC000418138578 267360930 /nfs/dbraw/zinc/36/09/30/267360930.db2.gz GMPIDNNWDPJALN-UHFFFAOYSA-N 0 3 290.436 2.704 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418139521 267362189 /nfs/dbraw/zinc/36/21/89/267362189.db2.gz GUSYIGPFEYEGTO-ZBFHGGJFSA-N 0 3 289.423 2.903 20 30 CFEDHN C[C@@H](CCc1ccc(O)cc1)NCC1(C#N)CCC1 ZINC000418144872 267366278 /nfs/dbraw/zinc/36/62/78/267366278.db2.gz VIPVMNULAMLHDP-ZDUSSCGKSA-N 0 3 258.365 2.997 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@@H]1CCN1C1CCCC1 ZINC000528211697 268030207 /nfs/dbraw/zinc/03/02/07/268030207.db2.gz UINIOIRLUKSXFT-HNNXBMFYSA-N 0 3 270.380 2.691 20 30 CFEDHN C=C(CNC(=O)N1CC[C@@H](N2CCCC2)C1)c1ccccc1 ZINC000376992832 268037721 /nfs/dbraw/zinc/03/77/21/268037721.db2.gz JUPYFKOSUIKUAO-QGZVFWFLSA-N 0 3 299.418 2.580 20 30 CFEDHN Cc1oc(NC(=O)[C@H](C)N[C@H]2CCC2(C)C)c(C#N)c1C ZINC000519616404 268104333 /nfs/dbraw/zinc/10/43/33/268104333.db2.gz UCBONBDALRTNMR-GWCFXTLKSA-N 0 3 289.379 2.873 20 30 CFEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H]2CCC2(C)C)c(C#N)c1C ZINC000519616410 268104390 /nfs/dbraw/zinc/10/43/90/268104390.db2.gz UCBONBDALRTNMR-GXFFZTMASA-N 0 3 289.379 2.873 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN2C2CCCC2)s1 ZINC000527805288 268233844 /nfs/dbraw/zinc/23/38/44/268233844.db2.gz GJBDPAFQTBJNSH-ZDUSSCGKSA-N 0 3 275.421 2.726 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc(F)cc2F)o1 ZINC000516591925 268233675 /nfs/dbraw/zinc/23/36/75/268233675.db2.gz DOLGDEFNKVCXCC-UHFFFAOYSA-N 0 3 262.259 2.762 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3snc(Cl)c3C#N)C2)C1 ZINC000292761289 270284390 /nfs/dbraw/zinc/28/43/90/270284390.db2.gz KGPJCHBFJXPEJW-CYBMUJFWSA-N 0 3 296.827 2.590 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(c3ccccc3C)CC2)C1=O ZINC000282045972 273485816 /nfs/dbraw/zinc/48/58/16/273485816.db2.gz RFXXWBXSKDMXJB-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN CC[C@](C)(O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352837803 273765673 /nfs/dbraw/zinc/76/56/73/273765673.db2.gz BTFOMUIQIRWVFB-ZDUSSCGKSA-N 0 3 286.297 2.828 20 30 CFEDHN CS[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1N(C)C ZINC000271674355 274186737 /nfs/dbraw/zinc/18/67/37/274186737.db2.gz XVGCBXLCEOJDJJ-KBPBESRZSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1snc(Cl)c1C#N ZINC000286394759 274643441 /nfs/dbraw/zinc/64/34/41/274643441.db2.gz LEWFONCAHFVQGP-GXSJLCMTSA-N 0 3 296.827 2.731 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000352830547 274648157 /nfs/dbraw/zinc/64/81/57/274648157.db2.gz BCMQDZFZULUULP-AWEZNQCLSA-N 0 3 298.308 2.828 20 30 CFEDHN N#Cc1c2c(cnc1N1CC[C@@H](N3CCCCC3)C1)CCC2 ZINC000425234518 274918648 /nfs/dbraw/zinc/91/86/48/274918648.db2.gz XNENAQJMLQVXIC-OAHLLOKOSA-N 0 3 296.418 2.507 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@]2(CCOC2)C1 ZINC000335242971 275388700 /nfs/dbraw/zinc/38/87/00/275388700.db2.gz ZVKLJTPVPASRNE-QGZVFWFLSA-N 0 3 255.361 2.541 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCCc2nc(Cl)ccc21 ZINC000296487890 275434223 /nfs/dbraw/zinc/43/42/23/275434223.db2.gz PMDKPFVMRUEURQ-ZYHUDNBSSA-N 0 3 266.772 2.639 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cc2c(s1)CCCC2 ZINC000353575297 275438296 /nfs/dbraw/zinc/43/82/96/275438296.db2.gz KPPLZFASUMEPDV-CMPLNLGQSA-N 0 3 251.395 2.824 20 30 CFEDHN C=CCSCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354788341 275748537 /nfs/dbraw/zinc/74/85/37/275748537.db2.gz FRDOQOSTVZMFGA-AWEZNQCLSA-N 0 3 284.469 2.532 20 30 CFEDHN CCN(C[C@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355683812 276137408 /nfs/dbraw/zinc/13/74/08/276137408.db2.gz UEPLXGXYQHBGMA-WBVHZDCISA-N 0 3 271.408 2.742 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1C ZINC000337973605 276233905 /nfs/dbraw/zinc/23/39/05/276233905.db2.gz UBJXBXKYTRGWTI-CVEARBPZSA-N 0 3 297.402 2.566 20 30 CFEDHN CCN(C[C@H](C)CC1CCOCC1)C[C@H](C)C#N ZINC000350006005 276352228 /nfs/dbraw/zinc/35/22/28/276352228.db2.gz FEVDNIAOCYMGLJ-ZIAGYGMSSA-N 0 3 252.402 2.921 20 30 CFEDHN CO[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC[C@@H]1C ZINC000248883798 277300064 /nfs/dbraw/zinc/30/00/64/277300064.db2.gz DODVARXCKXFYSR-WOSRLPQWSA-N 0 3 258.365 2.976 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC12CCC2 ZINC000373153671 277364681 /nfs/dbraw/zinc/36/46/81/277364681.db2.gz UCXHWSIRGVEACR-CJNGLKHVSA-N 0 3 298.386 2.894 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000354290374 277822061 /nfs/dbraw/zinc/82/20/61/277822061.db2.gz UVZXQQANRADJKS-UONOGXRCSA-N 0 3 264.413 2.674 20 30 CFEDHN CC(=O)NCC[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000347629994 278117294 /nfs/dbraw/zinc/11/72/94/278117294.db2.gz ASOZWCHFMSONFG-PBHICJAKSA-N 0 3 299.418 2.857 20 30 CFEDHN CC1(C)CCC[C@]1(O)CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000329477104 278249003 /nfs/dbraw/zinc/24/90/03/278249003.db2.gz BUDODAINJIYGBY-YOEHRIQHSA-N 0 3 294.439 2.759 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@]1(C)CCCO1 ZINC000453394030 278266618 /nfs/dbraw/zinc/26/66/18/278266618.db2.gz VPHQTSUFFQUFMZ-NHYWBVRUSA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@H](NCC1([S@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280889513 288038485 /nfs/dbraw/zinc/03/84/85/288038485.db2.gz BLHYWEWBEITFFF-YWZLYKJASA-N 0 3 290.432 2.900 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc(C#N)cc1F ZINC000286296689 278970131 /nfs/dbraw/zinc/97/01/31/278970131.db2.gz JDIHHFVHSONVBF-OCCSQVGLSA-N 0 3 273.355 2.760 20 30 CFEDHN C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N(C)C1CC1 ZINC000355615701 279327601 /nfs/dbraw/zinc/32/76/01/279327601.db2.gz ACONOJZDHKJDQH-GDBMZVCRSA-N 0 3 299.418 2.673 20 30 CFEDHN CCN1CCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000352664489 279355876 /nfs/dbraw/zinc/35/58/76/279355876.db2.gz BXUVPRDSTLVBLE-CQSZACIVSA-N 0 3 251.418 2.732 20 30 CFEDHN C[C@]1(CN[C@H]2CC[C@H](C#N)C2)OCCc2sccc21 ZINC000353610127 280159569 /nfs/dbraw/zinc/15/95/69/280159569.db2.gz LPAFBVRNMYIWRE-SLEUVZQESA-N 0 3 276.405 2.818 20 30 CFEDHN Cc1c([C@H](C)N[C@H]2CCc3ccc(C#N)cc32)cnn1C ZINC000334980602 280256871 /nfs/dbraw/zinc/25/68/71/280256871.db2.gz AXPMODSEHRMFCQ-GTNSWQLSSA-N 0 3 280.375 2.938 20 30 CFEDHN C[C@H]1CCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248746770 281033871 /nfs/dbraw/zinc/03/38/71/281033871.db2.gz NJJSDUHBYUJZTE-YOEHRIQHSA-N 0 3 297.402 2.928 20 30 CFEDHN COCCOC[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249262767 281053191 /nfs/dbraw/zinc/05/31/91/281053191.db2.gz IDLMIAJPQSCKOU-GOEBONIOSA-N 0 3 288.391 2.604 20 30 CFEDHN Cc1cccc2c1OC[C@H](NCc1ccc(C#N)cc1)C2 ZINC000289734505 281298593 /nfs/dbraw/zinc/29/85/93/281298593.db2.gz VKKILIBHIVWLJN-QGZVFWFLSA-N 0 3 278.355 2.960 20 30 CFEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000175864487 281359389 /nfs/dbraw/zinc/35/93/89/281359389.db2.gz UCHKJPVJWCVVQB-FTRWYGJKSA-N 0 3 290.432 2.728 20 30 CFEDHN C[C@@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540706692 281589114 /nfs/dbraw/zinc/58/91/14/281589114.db2.gz XLNPYHSMDGMCTF-DOMZBBRYSA-N 0 3 292.354 2.544 20 30 CFEDHN CC(C)(NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000550846596 281829719 /nfs/dbraw/zinc/82/97/19/281829719.db2.gz KCWLGBHTPPTQGQ-UHFFFAOYSA-N 0 3 291.358 2.626 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)Cc1ccc(C#N)cc1 ZINC000560361079 282022857 /nfs/dbraw/zinc/02/28/57/282022857.db2.gz RPPPYPQFXJNJJL-UHFFFAOYSA-N 0 3 293.370 2.801 20 30 CFEDHN N#Cc1ccc(CN[C@H](CC(N)=O)C2CCCCC2)s1 ZINC000561814781 282061395 /nfs/dbraw/zinc/06/13/95/282061395.db2.gz JAMODOYPHIXWLU-CQSZACIVSA-N 0 3 291.420 2.534 20 30 CFEDHN CN(C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000348340841 289209055 /nfs/dbraw/zinc/20/90/55/289209055.db2.gz YDSUUWFDVIEIDI-WQVCFCJDSA-N 0 3 275.371 2.710 20 30 CFEDHN N#Cc1ccc(CNCCOc2ncccc2Cl)s1 ZINC000152095065 289838284 /nfs/dbraw/zinc/83/82/84/289838284.db2.gz CHSNVZVCNFFODD-UHFFFAOYSA-N 0 3 293.779 2.837 20 30 CFEDHN N#Cc1cccc(CNCCOc2ncccc2Cl)c1 ZINC000152086241 289838547 /nfs/dbraw/zinc/83/85/47/289838547.db2.gz HFSAHTSBHPIXKX-UHFFFAOYSA-N 0 3 287.750 2.775 20 30 CFEDHN N#Cc1cnccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000307719286 290011283 /nfs/dbraw/zinc/01/12/83/290011283.db2.gz RDIFRKZDWCYVTL-INIZCTEOSA-N 0 3 278.359 2.640 20 30 CFEDHN CC(C)(CNC(=O)c1cscc1C#N)N1CCCCC1 ZINC000562404286 290041002 /nfs/dbraw/zinc/04/10/02/290041002.db2.gz RHPJSONVDMIEJQ-UHFFFAOYSA-N 0 3 291.420 2.614 20 30 CFEDHN C[C@@H]1C[C@@H](C)N([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000562502683 290048399 /nfs/dbraw/zinc/04/83/99/290048399.db2.gz PRXBMSFAEVJRKC-CKEIUWERSA-N 0 3 297.402 2.784 20 30 CFEDHN N#Cc1ccc(CN2CCN(CC3CCCCC3)CC2)nc1 ZINC000563354314 290136421 /nfs/dbraw/zinc/13/64/21/290136421.db2.gz IKNPQAWAENHXSX-UHFFFAOYSA-N 0 3 298.434 2.651 20 30 CFEDHN N#Cc1cnn2cc(CN3CCC4(C3)CCCCC4)cnc12 ZINC000564570629 290215592 /nfs/dbraw/zinc/21/55/92/290215592.db2.gz JGIVMCIBQHIIDX-UHFFFAOYSA-N 0 3 295.390 2.757 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C)(CO)CC1 ZINC000186959714 290219292 /nfs/dbraw/zinc/21/92/92/290219292.db2.gz JILBJMIMVFMCBG-CYBMUJFWSA-N 0 3 258.365 2.714 20 30 CFEDHN CN(CCSc1ncncc1C#N)Cc1ccccc1 ZINC000564892468 290245294 /nfs/dbraw/zinc/24/52/94/290245294.db2.gz YFJGCOHESSBPGX-UHFFFAOYSA-N 0 3 284.388 2.572 20 30 CFEDHN Cc1ncc(CN[C@H]2CCCc3cc(C#N)ccc32)n1C ZINC000565242721 290288163 /nfs/dbraw/zinc/28/81/63/290288163.db2.gz RFCQUNMVSQXWEQ-KRWDZBQOSA-N 0 3 280.375 2.767 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085462669 782061059 /nfs/dbraw/zinc/06/10/59/782061059.db2.gz KUPNKGWDHIRYKE-INIZCTEOSA-N 0 3 272.392 2.799 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345038778 301229416 /nfs/dbraw/zinc/22/94/16/301229416.db2.gz VANDNWMJMPHEIE-HUUCEWRRSA-N 0 3 299.418 2.905 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC[C@H]2CSc3ccccc3O2)C1 ZINC000575311758 335092064 /nfs/dbraw/zinc/09/20/64/335092064.db2.gz WQEZEDVHASMQAF-AGIUHOORSA-N 0 3 274.389 2.822 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085478851 782075793 /nfs/dbraw/zinc/07/57/93/782075793.db2.gz GURNXIMBIINZNT-AWEZNQCLSA-N 0 3 276.380 2.619 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCCO[C@H]1CC(C)C ZINC000186369637 327688180 /nfs/dbraw/zinc/68/81/80/327688180.db2.gz IDJBLACYNVSUTN-HOTGVXAUSA-N 0 3 296.455 2.594 20 30 CFEDHN CCc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccn1 ZINC000584332157 327787194 /nfs/dbraw/zinc/78/71/94/327787194.db2.gz GMRJFUYXUBOXBT-INIZCTEOSA-N 0 3 294.358 2.568 20 30 CFEDHN CCc1ccc([C@H](COC)NCCCCC#N)o1 ZINC000184803573 327833614 /nfs/dbraw/zinc/83/36/14/327833614.db2.gz WWSKOGFRNKXQLJ-ZDUSSCGKSA-N 0 3 250.342 2.813 20 30 CFEDHN C=CC[C@@H](C)N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000116907936 327872627 /nfs/dbraw/zinc/87/26/27/327872627.db2.gz WNIPRYZNWGODQF-DOMZBBRYSA-N 0 3 258.365 2.561 20 30 CFEDHN C=CCC[C@@H](NC(=O)N[C@H](C)CN(C)C)c1ccccc1 ZINC000354546375 327901640 /nfs/dbraw/zinc/90/16/40/327901640.db2.gz GAWHGUXFWJBAHX-GDBMZVCRSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC1(C)C)C(C)C ZINC000338272985 327974245 /nfs/dbraw/zinc/97/42/45/327974245.db2.gz VRMPXXLSPAFNAT-LSDHHAIUSA-N 0 3 293.455 2.783 20 30 CFEDHN CO[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411233984 328080762 /nfs/dbraw/zinc/08/07/62/328080762.db2.gz XOPLIUVCMAKWHX-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000571391156 328118795 /nfs/dbraw/zinc/11/87/95/328118795.db2.gz UALHGSDHNXUFRA-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN CN(CCSCCC#N)Cc1ccc(F)cc1 ZINC000413011024 328139668 /nfs/dbraw/zinc/13/96/68/328139668.db2.gz IKRFJPXRXUCGQN-UHFFFAOYSA-N 0 3 252.358 2.904 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](CC)N(C)C ZINC000413211386 328142585 /nfs/dbraw/zinc/14/25/85/328142585.db2.gz PYLSOHGVFKHDKG-HNNXBMFYSA-N 0 3 278.371 2.681 20 30 CFEDHN COc1ccccc1[C@@H](C)NCCCSCC#N ZINC000271627009 328197153 /nfs/dbraw/zinc/19/71/53/328197153.db2.gz GALRBUCDFOOULS-GFCCVEGCSA-N 0 3 264.394 2.993 20 30 CFEDHN COc1cc(CNCCCC#N)ccc1OC(C)C ZINC000273096912 328204063 /nfs/dbraw/zinc/20/40/63/328204063.db2.gz UUURRNHAUGEUIU-UHFFFAOYSA-N 0 3 262.353 2.876 20 30 CFEDHN CC(C)(C#N)CC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000278202413 328224619 /nfs/dbraw/zinc/22/46/19/328224619.db2.gz FXQOCYVQVWJOLU-HNNXBMFYSA-N 0 3 297.402 2.937 20 30 CFEDHN Cc1ncsc1CN(C)CCCC1(C#N)CCOCC1 ZINC000281135147 328239005 /nfs/dbraw/zinc/23/90/05/328239005.db2.gz ACTRURYZNPKXHU-UHFFFAOYSA-N 0 3 293.436 2.984 20 30 CFEDHN C=CC[C@@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000184272835 329258361 /nfs/dbraw/zinc/25/83/61/329258361.db2.gz JYVSVYWWXAFQFY-LBPRGKRZSA-N 0 3 266.410 2.827 20 30 CFEDHN N#CCCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000291527249 328264340 /nfs/dbraw/zinc/26/43/40/328264340.db2.gz PRQLRKZCKHBMHG-HNNXBMFYSA-N 0 3 283.375 2.691 20 30 CFEDHN CCC[N@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000292805482 328273728 /nfs/dbraw/zinc/27/37/28/328273728.db2.gz MQSOVARMYKIVCL-UHFFFAOYSA-N 0 3 262.353 2.534 20 30 CFEDHN CCC[N@@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000292805482 328273729 /nfs/dbraw/zinc/27/37/29/328273729.db2.gz MQSOVARMYKIVCL-UHFFFAOYSA-N 0 3 262.353 2.534 20 30 CFEDHN CSc1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000293983429 328278890 /nfs/dbraw/zinc/27/88/90/328278890.db2.gz DZCQLWOVJGYKNF-LBPRGKRZSA-N 0 3 264.394 2.989 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000295000199 328284176 /nfs/dbraw/zinc/28/41/76/328284176.db2.gz IJOHGOXELROJIV-AAEUAGOBSA-N 0 3 259.309 2.767 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(CC)CC ZINC000120533637 328344463 /nfs/dbraw/zinc/34/44/63/328344463.db2.gz CAVVAMYRZCUJLL-ZDUSSCGKSA-N 0 3 280.437 2.993 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)s1 ZINC000569595940 322484066 /nfs/dbraw/zinc/48/40/66/322484066.db2.gz RQDLZBPZPAHRGA-WBMJQRKESA-N 0 3 286.400 2.874 20 30 CFEDHN N#Cc1ccc([C@@H](NCC2(C3CCC3)CCC2)C(N)=O)cc1 ZINC000574180374 322684013 /nfs/dbraw/zinc/68/40/13/322684013.db2.gz ZFMVOBYXVDDQSW-MRXNPFEDSA-N 0 3 297.402 2.645 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)[C@H]1COc2ccccc21 ZINC000575114096 322718447 /nfs/dbraw/zinc/71/84/47/322718447.db2.gz XCEFWDAMIZJJND-BLLLJJGKSA-N 0 3 279.343 2.608 20 30 CFEDHN N#Cc1ccc(CNCCCOCC(F)(F)F)s1 ZINC000176946553 323685661 /nfs/dbraw/zinc/68/56/61/323685661.db2.gz DJCMZIUPLNXQJA-UHFFFAOYSA-N 0 3 278.299 2.678 20 30 CFEDHN CCc1cnc(CCNCc2cc(C#N)cs2)s1 ZINC000177707548 323702213 /nfs/dbraw/zinc/70/22/13/323702213.db2.gz BCCYSUNVPVBGGP-UHFFFAOYSA-N 0 3 277.418 2.971 20 30 CFEDHN C[C@@H]1CC(NCc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000179470146 323748558 /nfs/dbraw/zinc/74/85/58/323748558.db2.gz PMFMKJGMFFSNLT-GHMZBOCLSA-N 0 3 262.328 2.743 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(CC)o2)CC1 ZINC000124891561 328460588 /nfs/dbraw/zinc/46/05/88/328460588.db2.gz FYUCEURAASCNDI-BQYQJAHWSA-N 0 3 288.391 2.622 20 30 CFEDHN C=CC[C@H](CC)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000281296561 328498682 /nfs/dbraw/zinc/49/86/82/328498682.db2.gz PLONNQDOYOOJMW-LBPRGKRZSA-N 0 3 265.353 2.854 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(C#N)s1 ZINC000580572871 325048490 /nfs/dbraw/zinc/04/84/90/325048490.db2.gz CPIFCUQAGMXZSG-MFKMUULPSA-N 0 3 252.383 2.506 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000580636157 325052152 /nfs/dbraw/zinc/05/21/52/325052152.db2.gz HLNKYFVMQGJBIW-UHFFFAOYSA-N 0 3 296.370 2.912 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccn(C)c1 ZINC000581971429 325164642 /nfs/dbraw/zinc/16/46/42/325164642.db2.gz VHJLCCCQLNNPQN-UHFFFAOYSA-N 0 3 283.375 2.545 20 30 CFEDHN CCOC1CC(N(C)Cc2cc(C#N)cs2)C1 ZINC000583170909 325266250 /nfs/dbraw/zinc/26/62/50/325266250.db2.gz SKROCCKIDAVGHN-UHFFFAOYSA-N 0 3 250.367 2.619 20 30 CFEDHN COCCOc1cc(C)ccc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442770271 328539665 /nfs/dbraw/zinc/53/96/65/328539665.db2.gz RKXNJPISFDDTNS-HOCLYGCPSA-N 0 3 288.391 2.802 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC000344667603 328559401 /nfs/dbraw/zinc/55/94/01/328559401.db2.gz HETYIHHHJICZKM-UHFFFAOYSA-N 0 3 274.408 2.586 20 30 CFEDHN C=CC[C@H]1N(C(=O)C2CCN(C)CC2)CCCC1(C)C ZINC000335435714 328580831 /nfs/dbraw/zinc/58/08/31/328580831.db2.gz RBVJLJAFYUFBET-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](CCC)C(C)C)CC1 ZINC000179668572 326834490 /nfs/dbraw/zinc/83/44/90/326834490.db2.gz KHSWNHIUGSMTSE-OAHLLOKOSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451401936 331027728 /nfs/dbraw/zinc/02/77/28/331027728.db2.gz AJGRHTGCIPRQJA-WOPDTQHZSA-N 0 3 265.319 2.976 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C)C[C@H]2CC)cc1 ZINC000557399546 327004648 /nfs/dbraw/zinc/00/46/48/327004648.db2.gz RLXDRWMRMCCMDB-MRXNPFEDSA-N 0 3 274.408 2.777 20 30 CFEDHN C=CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC000576291681 327027571 /nfs/dbraw/zinc/02/75/71/327027571.db2.gz PHENMZFSZCBNAH-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN CCO[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C12CCCC2 ZINC000576302166 327028309 /nfs/dbraw/zinc/02/83/09/327028309.db2.gz OIJPNTOCSNWRPM-SOUVJXGZSA-N 0 3 275.396 2.757 20 30 CFEDHN Cc1nc(C[C@@H]2CCCN(CCC(C)(C)C#N)C2)no1 ZINC000363468198 327102231 /nfs/dbraw/zinc/10/22/31/327102231.db2.gz KWRDXXXJAWRRDD-ZDUSSCGKSA-N 0 3 276.384 2.572 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C(C)C)CC1 ZINC000517997285 327144508 /nfs/dbraw/zinc/14/45/08/327144508.db2.gz CHGJHXLYCRMPJG-MRXNPFEDSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CC)[C@H](O)C(F)F)cc1 ZINC000449429164 327202964 /nfs/dbraw/zinc/20/29/64/327202964.db2.gz ZJPLYBZGFNZCOC-KGLIPLIRSA-N 0 3 285.334 2.746 20 30 CFEDHN CC(C)(C#N)CCN1CCC(OC[C@H]2CCCO2)CC1 ZINC000119727174 327261168 /nfs/dbraw/zinc/26/11/68/327261168.db2.gz MQHWDDWKNSMSRS-OAHLLOKOSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448035140 327296228 /nfs/dbraw/zinc/29/62/28/327296228.db2.gz NRHNLLJOLPTNHQ-OAHLLOKOSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000560351869 327302036 /nfs/dbraw/zinc/30/20/36/327302036.db2.gz MPTZLLRBLIHOCU-XZJROXQQSA-N 0 3 286.375 2.565 20 30 CFEDHN COC(=O)CCC[C@@H]1CCC[C@H](NC[C@H](C)C#N)C1 ZINC000560496801 327315215 /nfs/dbraw/zinc/31/52/15/327315215.db2.gz KIGCWIIQKROAAP-RDBSUJKOSA-N 0 3 266.385 2.638 20 30 CFEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)NC[C@H](C)C#N ZINC000133038960 327473541 /nfs/dbraw/zinc/47/35/41/327473541.db2.gz VXIBHROOAWQLGQ-TZMCWYRMSA-N 0 3 276.380 2.774 20 30 CFEDHN C#CCN1CCC(C(=O)NCC(C)(C)C2CCCC2)CC1 ZINC000160118749 327595345 /nfs/dbraw/zinc/59/53/45/327595345.db2.gz JJSXHUVHIRWUBQ-UHFFFAOYSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000357530814 328872073 /nfs/dbraw/zinc/87/20/73/328872073.db2.gz ZAJXIOMGYLDRDN-FRRDWIJNSA-N 0 3 279.384 2.583 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000116935359 328939745 /nfs/dbraw/zinc/93/97/45/328939745.db2.gz PIBTWJZBEXXMCO-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN C#Cc1ccc(CN2CCC(Oc3cnccn3)CC2)cc1 ZINC000377693106 329024878 /nfs/dbraw/zinc/02/48/78/329024878.db2.gz CKOSNGITENXRNA-UHFFFAOYSA-N 0 3 293.370 2.501 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2cccs2)C[C@@H]1C ZINC000377803944 329030115 /nfs/dbraw/zinc/03/01/15/329030115.db2.gz BCRLKRKFUYFNCU-AVGNSLFASA-N 0 3 278.421 2.617 20 30 CFEDHN C#CCCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000378093595 329039876 /nfs/dbraw/zinc/03/98/76/329039876.db2.gz AOFJJAKGZRFBJU-UHFFFAOYSA-N 0 3 298.430 2.818 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(CCC)CC1 ZINC000378451743 329050951 /nfs/dbraw/zinc/05/09/51/329050951.db2.gz FOBPNKKUFQTIIJ-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194251518 329076621 /nfs/dbraw/zinc/07/66/21/329076621.db2.gz HOPXXJJDGVMZLA-UHFFFAOYSA-N 0 3 298.390 2.940 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000171696205 329077701 /nfs/dbraw/zinc/07/77/01/329077701.db2.gz HTDUASFGIPNDRN-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000171696197 329077716 /nfs/dbraw/zinc/07/77/16/329077716.db2.gz HTDUASFGIPNDRN-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2CCCCCC2)CC1 ZINC000171695859 329078484 /nfs/dbraw/zinc/07/84/84/329078484.db2.gz NDZOZFDQKQERIR-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=C(CC)CNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000459075845 329141751 /nfs/dbraw/zinc/14/17/51/329141751.db2.gz LTBHONZWRXBZAH-UHFFFAOYSA-N 0 3 289.423 2.726 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000174259688 329155968 /nfs/dbraw/zinc/15/59/68/329155968.db2.gz RKFYYKPLSYAYSL-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H]1CC[C@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000174470874 329159296 /nfs/dbraw/zinc/15/92/96/329159296.db2.gz GCUGPGABDZBTKH-LSDHHAIUSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000178028305 329191737 /nfs/dbraw/zinc/19/17/37/329191737.db2.gz WHDWTIQAZADIGM-WDEREUQCSA-N 0 3 251.292 2.588 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1c(C)cccc1C ZINC000181270789 329228666 /nfs/dbraw/zinc/22/86/66/329228666.db2.gz XQVDYVGJNHBRCW-OAHLLOKOSA-N 0 3 263.381 2.551 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181280976 329229180 /nfs/dbraw/zinc/22/91/80/329229180.db2.gz BKSCXYBZRZZJOT-CABCVRRESA-N 0 3 289.423 2.771 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181342821 329231908 /nfs/dbraw/zinc/23/19/08/329231908.db2.gz UBXVWIMRKBFFMD-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN C=CC[C@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000184278049 329258414 /nfs/dbraw/zinc/25/84/14/329258414.db2.gz QAKQKEWZJGSFFN-SNVBAGLBSA-N 0 3 280.418 2.898 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000321134998 329263991 /nfs/dbraw/zinc/26/39/91/329263991.db2.gz SGBOBXKRPVXOLH-GXTWGEPZSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CC(C)C)CC1 ZINC000184765870 329264213 /nfs/dbraw/zinc/26/42/13/329264213.db2.gz RUMMFAWIYRTJIL-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1OC ZINC000321183969 329271640 /nfs/dbraw/zinc/27/16/40/329271640.db2.gz ZYVHNIFLJBDSCI-STQMWFEESA-N 0 3 279.380 2.682 20 30 CFEDHN Cc1ccnc([C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC000582854557 329280599 /nfs/dbraw/zinc/28/05/99/329280599.db2.gz RDGRZHXGABRKOM-RRFJBIMHSA-N 0 3 255.365 2.872 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000185867899 329333850 /nfs/dbraw/zinc/33/38/50/329333850.db2.gz ZKMURHQHTKFQRI-UKRRQHHQSA-N 0 3 296.374 2.951 20 30 CFEDHN COc1c(C)cnc(CN2CCC(CC#N)CC2)c1C ZINC000397328224 329349909 /nfs/dbraw/zinc/34/99/09/329349909.db2.gz YOHGJYSNCZAAGR-UHFFFAOYSA-N 0 3 273.380 2.833 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1 ZINC000321451757 329357205 /nfs/dbraw/zinc/35/72/05/329357205.db2.gz OCTMAFXVGVQDTP-QMTHXVAHSA-N 0 3 255.308 2.943 20 30 CFEDHN Cc1ccc(CC[C@@H](C)NC[C@@H](C#N)CCC#N)o1 ZINC000583199414 329358781 /nfs/dbraw/zinc/35/87/81/329358781.db2.gz NTDHGHKNRIEHFJ-TZMCWYRMSA-N 0 3 259.353 2.942 20 30 CFEDHN C#C[C@@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000187729992 329362857 /nfs/dbraw/zinc/36/28/57/329362857.db2.gz JHXRVVZIRHYENL-CABCVRRESA-N 0 3 299.418 2.533 20 30 CFEDHN CC1(C)CN(CCCSCC#N)CC(C)(C)O1 ZINC000189653213 329385822 /nfs/dbraw/zinc/38/58/22/329385822.db2.gz DFMBUYYRGKEKKQ-UHFFFAOYSA-N 0 3 256.415 2.523 20 30 CFEDHN CC[C@@H]1OCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000459783103 329392938 /nfs/dbraw/zinc/39/29/38/329392938.db2.gz VFFWSNYIYDSIJE-CABCVRRESA-N 0 3 263.768 2.849 20 30 CFEDHN C=C(C)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714300 329535244 /nfs/dbraw/zinc/53/52/44/329535244.db2.gz RVRVCJKZEOCHAD-UHFFFAOYSA-N 0 3 256.349 2.978 20 30 CFEDHN C=CCNc1nnc(SCCN(CC)CC)s1 ZINC000131167542 329632308 /nfs/dbraw/zinc/63/23/08/329632308.db2.gz IGVVMAZBDBNXMV-UHFFFAOYSA-N 0 3 272.443 2.570 20 30 CFEDHN C=C(C)CN1CCC(C(=O)NCc2ccccc2)CC1 ZINC000248207779 329888502 /nfs/dbraw/zinc/88/85/02/329888502.db2.gz BSYWESRNGZCMRT-UHFFFAOYSA-N 0 3 272.392 2.591 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000077582119 329929741 /nfs/dbraw/zinc/92/97/41/329929741.db2.gz PSHSEZNDIMCLNE-GDBMZVCRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000421708872 330069063 /nfs/dbraw/zinc/06/90/63/330069063.db2.gz BIHZPVXBCIWCAG-IRXDYDNUSA-N 0 3 286.419 2.899 20 30 CFEDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000421710612 330069422 /nfs/dbraw/zinc/06/94/22/330069422.db2.gz LMGMHFYRPUSJJW-MRXNPFEDSA-N 0 3 299.418 2.654 20 30 CFEDHN C=CCOc1cccc(CN(C)CCOCCCOC)c1 ZINC000272328487 330085351 /nfs/dbraw/zinc/08/53/51/330085351.db2.gz CXCATLDACIBEOO-UHFFFAOYSA-N 0 3 293.407 2.736 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000170999073 330125065 /nfs/dbraw/zinc/12/50/65/330125065.db2.gz QGOPAELVQQCLCD-ZDUSSCGKSA-N 0 3 290.382 2.696 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000424069391 330219872 /nfs/dbraw/zinc/21/98/72/330219872.db2.gz PNDFTVJRRSFDEZ-GJZGRUSLSA-N 0 3 289.354 2.510 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000424071687 330220220 /nfs/dbraw/zinc/22/02/20/330220220.db2.gz BTYZOBHDDGMAGX-NSHDSACASA-N 0 3 286.162 2.953 20 30 CFEDHN CCCCN(C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424073036 330220275 /nfs/dbraw/zinc/22/02/75/330220275.db2.gz DWTGRKMOXBZWNH-HNNXBMFYSA-N 0 3 273.380 2.841 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424072086 330220287 /nfs/dbraw/zinc/22/02/87/330220287.db2.gz WVROPRGMRXXNAR-UONOGXRCSA-N 0 3 293.798 2.928 20 30 CFEDHN CC(C)c1ccc(CN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424078055 330221345 /nfs/dbraw/zinc/22/13/45/330221345.db2.gz PFBHMDAFGGFODQ-MRXNPFEDSA-N 0 3 287.407 2.790 20 30 CFEDHN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424079642 330221854 /nfs/dbraw/zinc/22/18/54/330221854.db2.gz RMFMRQASKFTBOJ-RHSMWYFYSA-N 0 3 299.418 2.835 20 30 CFEDHN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424086621 330222585 /nfs/dbraw/zinc/22/25/85/330222585.db2.gz DNLZHKVAJZUAMX-FZMZJTMJSA-N 0 3 293.798 2.881 20 30 CFEDHN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424085396 330222938 /nfs/dbraw/zinc/22/29/38/330222938.db2.gz CUTCNENYVFFAHP-FZMZJTMJSA-N 0 3 293.798 2.881 20 30 CFEDHN CC[C@H](C)Oc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424086954 330223878 /nfs/dbraw/zinc/22/38/78/330223878.db2.gz CQACCIOZORHLAU-WFASDCNBSA-N 0 3 289.379 2.824 20 30 CFEDHN CC(C)N(Cc1ccccc1F)C(=O)[C@@H](N)CCCC#N ZINC000424092865 330225917 /nfs/dbraw/zinc/22/59/17/330225917.db2.gz QTFRUQBWCYXIKY-HNNXBMFYSA-N 0 3 291.370 2.584 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000424095738 330226928 /nfs/dbraw/zinc/22/69/28/330226928.db2.gz WWGQCPXUTKPUAQ-GJZGRUSLSA-N 0 3 289.354 2.510 20 30 CFEDHN CC(C)COc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424103390 330233717 /nfs/dbraw/zinc/23/37/17/330233717.db2.gz SLTLOMPDGSEYCX-ZDUSSCGKSA-N 0 3 289.379 2.681 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000424103638 330233863 /nfs/dbraw/zinc/23/38/63/330233863.db2.gz SOWHMZHASJSEAB-OFLPRAFFSA-N 0 3 299.418 2.850 20 30 CFEDHN CC1(C)CC[C@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424111073 330239355 /nfs/dbraw/zinc/23/93/55/330239355.db2.gz GBFPYZJCHLJTPB-HOTGVXAUSA-N 0 3 299.418 2.936 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000424117468 330243747 /nfs/dbraw/zinc/24/37/47/330243747.db2.gz YXEWIXHXVFZWQA-IRXDYDNUSA-N 0 3 299.418 2.631 20 30 CFEDHN CSCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424117495 330243857 /nfs/dbraw/zinc/24/38/57/330243857.db2.gz ZAELUHVKDCZIPY-ZDUSSCGKSA-N 0 3 277.393 2.509 20 30 CFEDHN C[C@H](CCC1CCCCC1)NC(=O)[C@H](N)CCCC#N ZINC000424125542 330258729 /nfs/dbraw/zinc/25/87/29/330258729.db2.gz OBLHQNQYABZFRY-UKRRQHHQSA-N 0 3 279.428 2.873 20 30 CFEDHN C=CCOc1ccc(CNCC23CC(C2)CO3)cc1OC ZINC000527792102 330283705 /nfs/dbraw/zinc/28/37/05/330283705.db2.gz YNYXZYYQURNLQK-UHFFFAOYSA-N 0 3 289.375 2.529 20 30 CFEDHN Cc1ccccc1[C@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424141878 330283789 /nfs/dbraw/zinc/28/37/89/330283789.db2.gz PFCIBHLZKCDTQR-JKSUJKDBSA-N 0 3 287.407 2.830 20 30 CFEDHN Cc1ccccc1[C@H](NC(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424142901 330286198 /nfs/dbraw/zinc/28/61/98/330286198.db2.gz QGLQDEDCKVQLSO-JKSUJKDBSA-N 0 3 285.391 2.584 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@H](n2cccn2)C(F)(F)F)C1 ZINC000527938085 330293736 /nfs/dbraw/zinc/29/37/36/330293736.db2.gz JCYZTZOMODUPIS-WOPDTQHZSA-N 0 3 286.301 2.658 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000527938080 330293749 /nfs/dbraw/zinc/29/37/49/330293749.db2.gz JCYZTZOMODUPIS-IJLUTSLNSA-N 0 3 286.301 2.658 20 30 CFEDHN C=CC[C@H](C)[C@H](C)N[C@H]1Cc2ccccc2NC1=O ZINC000528002359 330300228 /nfs/dbraw/zinc/30/02/28/330300228.db2.gz QXDNBFKQCVAWFC-HUBLWGQQSA-N 0 3 258.365 2.740 20 30 CFEDHN COc1ccc([C@H](N[C@@H]2CC[C@@H](C#N)C2)C2CC2)cn1 ZINC000528041909 330305705 /nfs/dbraw/zinc/30/57/05/330305705.db2.gz AVLUFBHFXARGFP-DJSGYFEHSA-N 0 3 271.364 2.823 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(CSC)s1 ZINC000424168860 330310477 /nfs/dbraw/zinc/31/04/77/330310477.db2.gz GPJBDTAKLFRRPX-JQWIXIFHSA-N 0 3 284.450 2.687 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000424201808 330327015 /nfs/dbraw/zinc/32/70/15/330327015.db2.gz OYCWHBVVGGQAMJ-HNNXBMFYSA-N 0 3 299.374 2.555 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H](C3CC3)C2)nn1 ZINC000424289795 330334357 /nfs/dbraw/zinc/33/43/57/330334357.db2.gz AIUICUYFCAFBNZ-KBPBESRZSA-N 0 3 260.385 2.523 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000424292289 330335057 /nfs/dbraw/zinc/33/50/57/330335057.db2.gz GGKHQGXFNWIQPQ-RCBQFDQVSA-N 0 3 297.345 2.833 20 30 CFEDHN C=CCn1cc(CN[C@H](C)C2CCCCCC2)nn1 ZINC000424298926 330336824 /nfs/dbraw/zinc/33/68/24/330336824.db2.gz UNMOUFXGIWOJOG-CYBMUJFWSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@@H](CCC)[C@H]2CC2(C)C)nn1 ZINC000424301346 330337805 /nfs/dbraw/zinc/33/78/05/330337805.db2.gz ZTQPJUVTXGYBMC-KGLIPLIRSA-N 0 3 262.401 2.769 20 30 CFEDHN COC(=O)CC1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000424303727 330338005 /nfs/dbraw/zinc/33/80/05/330338005.db2.gz OVJMCCTVVMVJID-BCLQGDPASA-N 0 3 286.375 2.963 20 30 CFEDHN C=CCOc1ccccc1CNC1CC(CC(=O)OC)C1 ZINC000424310769 330338384 /nfs/dbraw/zinc/33/83/84/330338384.db2.gz KEJSFZFYAPKTSU-UHFFFAOYSA-N 0 3 289.375 2.683 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000424326447 330341372 /nfs/dbraw/zinc/34/13/72/330341372.db2.gz LSJXHOVJEZUMRA-VNHYZAJKSA-N 0 3 281.363 2.610 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc([S@](C)=O)cc1 ZINC000424330862 330342233 /nfs/dbraw/zinc/34/22/33/330342233.db2.gz RHWUVECZVCOEAH-XEIPEAKMSA-N 0 3 276.405 2.767 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000424546515 330373337 /nfs/dbraw/zinc/37/33/37/330373337.db2.gz QRLLBXCIFGDNGS-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000424580945 330387352 /nfs/dbraw/zinc/38/73/52/330387352.db2.gz DQVKNGVPXFIKGO-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCNC(=O)CN(CC)[C@@H](CC)Cc1ccccc1 ZINC000120475207 330388319 /nfs/dbraw/zinc/38/83/19/330388319.db2.gz XRZAQBNQOPUCEQ-INIZCTEOSA-N 0 3 274.408 2.632 20 30 CFEDHN C=CCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121603938 330403649 /nfs/dbraw/zinc/40/36/49/330403649.db2.gz KXBCEWBWOYXRMJ-QGZVFWFLSA-N 0 3 269.392 2.835 20 30 CFEDHN CN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCCc2ccccc21 ZINC000516046495 330486217 /nfs/dbraw/zinc/48/62/17/330486217.db2.gz MNWCPYHJIXUBLC-HZPDHXFCSA-N 0 3 285.391 2.544 20 30 CFEDHN CC#CCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000437785232 330708643 /nfs/dbraw/zinc/70/86/43/330708643.db2.gz FIWXTFFSJDPUHO-UHFFFAOYSA-N 0 3 271.339 2.574 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000442670994 330778718 /nfs/dbraw/zinc/77/87/18/330778718.db2.gz JZHYXKUGCGQTRH-IIAWOOMASA-N 0 3 296.480 2.627 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000442708396 330780113 /nfs/dbraw/zinc/78/01/13/330780113.db2.gz IXEZCPPJSGCUDE-GOEBONIOSA-N 0 3 284.407 2.854 20 30 CFEDHN CCN(CC)C(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442712702 330780289 /nfs/dbraw/zinc/78/02/89/330780289.db2.gz GYGPWQVBGXUNQW-DOTOQJQBSA-N 0 3 299.418 2.950 20 30 CFEDHN COC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000442864078 330788292 /nfs/dbraw/zinc/78/82/92/330788292.db2.gz YLDOFYNQXZRTKF-GLQYFDAESA-N 0 3 262.328 2.795 20 30 CFEDHN C=CC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442890521 330790952 /nfs/dbraw/zinc/79/09/52/330790952.db2.gz OMKBRFPWYWROOI-UHFFFAOYSA-N 0 3 256.349 2.965 20 30 CFEDHN C=CC(C)(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000448932082 330888701 /nfs/dbraw/zinc/88/87/01/330888701.db2.gz GKPOLXKKBKONOH-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CC(F)(F)F)CC1 ZINC000448924083 330888428 /nfs/dbraw/zinc/88/84/28/330888428.db2.gz XHEDXDSYTQMJSC-NSHDSACASA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1c(C)nn(C)c1OC ZINC000449243203 330909105 /nfs/dbraw/zinc/90/91/05/330909105.db2.gz IYOMZZJXRCRUGE-GFCCVEGCSA-N 0 3 265.401 2.962 20 30 CFEDHN CO[C@](C)(CN[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000449483368 330929534 /nfs/dbraw/zinc/92/95/34/330929534.db2.gz ITQKXIRVSOUFRI-CWRNSKLLSA-N 0 3 258.365 2.830 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)c(Cl)c1 ZINC000449517515 330932920 /nfs/dbraw/zinc/93/29/20/330932920.db2.gz GGAFFGBVGNRLQF-OLZOCXBDSA-N 0 3 255.720 2.912 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cc(OC)ccc2o1 ZINC000449518092 330933221 /nfs/dbraw/zinc/93/32/21/330933221.db2.gz IJYFKCWFNSUNNP-CABCVRRESA-N 0 3 273.332 2.875 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C/c1ccccc1OC ZINC000449524334 330933992 /nfs/dbraw/zinc/93/39/92/330933992.db2.gz ZSGDJISFIYBLGQ-OSZGCLPASA-N 0 3 259.349 2.642 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC000449845555 330952089 /nfs/dbraw/zinc/95/20/89/330952089.db2.gz QFUIVZGEMDCLDY-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN N#CC1(CN[C@@H](CCO)C2CCCCC2)CCC1 ZINC000450687497 330993687 /nfs/dbraw/zinc/99/36/87/330993687.db2.gz PDDYXNSOUJGZKP-AWEZNQCLSA-N 0 3 250.386 2.601 20 30 CFEDHN CCCCO[C@H]1C[C@H](NCC2(C#N)CC2)C1(C)C ZINC000450966619 331009075 /nfs/dbraw/zinc/00/90/75/331009075.db2.gz GZHKAQJZZHNQIA-STQMWFEESA-N 0 3 250.386 2.864 20 30 CFEDHN CC(C)(C#N)CCCCN[C@@](C)(CO)c1cccc(O)c1 ZINC000451042724 331013179 /nfs/dbraw/zinc/01/31/79/331013179.db2.gz RBPVDVQIXNMSIQ-KRWDZBQOSA-N 0 3 290.407 2.909 20 30 CFEDHN CCO[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC000451480925 331031025 /nfs/dbraw/zinc/03/10/25/331031025.db2.gz QGGIHJAFRCTZMH-SJORKVTESA-N 0 3 269.388 2.975 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]21 ZINC000451477462 331031143 /nfs/dbraw/zinc/03/11/43/331031143.db2.gz HZAMJHDRBVMTPH-ZACQAIPSSA-N 0 3 287.378 2.970 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000451682773 331038928 /nfs/dbraw/zinc/03/89/28/331038928.db2.gz QETODRPQEXXZEJ-CVEARBPZSA-N 0 3 259.324 2.500 20 30 CFEDHN C=C(CC)CN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451883639 331046137 /nfs/dbraw/zinc/04/61/37/331046137.db2.gz VDZRYSVVLFPRPO-LBPRGKRZSA-N 0 3 264.335 2.769 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451915404 331047225 /nfs/dbraw/zinc/04/72/25/331047225.db2.gz VKSOYCKWICQFHX-QWRGUYRKSA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000452068127 331052705 /nfs/dbraw/zinc/05/27/05/331052705.db2.gz BCOKVKSWKADNEA-PBHICJAKSA-N 0 3 287.407 2.700 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453162093 331095825 /nfs/dbraw/zinc/09/58/25/331095825.db2.gz JRLZTRGEWPMKPC-CABCVRRESA-N 0 3 299.418 2.922 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453203495 331100970 /nfs/dbraw/zinc/10/09/70/331100970.db2.gz UWCZWUVUTYCCHS-UKRRQHHQSA-N 0 3 285.391 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(F)cc(F)c1 ZINC000453348651 331120329 /nfs/dbraw/zinc/12/03/29/331120329.db2.gz HUKKLQLCQBSFRQ-FZZIBODNSA-N 0 3 253.292 2.959 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000453370597 331123891 /nfs/dbraw/zinc/12/38/91/331123891.db2.gz UIXNYYUZOBBHOU-VXGBXAGGSA-N 0 3 280.437 3.000 20 30 CFEDHN C=C(CC)CNC(=O)NCCCN(C)Cc1ccccc1 ZINC000454214554 331141930 /nfs/dbraw/zinc/14/19/30/331141930.db2.gz NDYFFZORGWCJRP-UHFFFAOYSA-N 0 3 289.423 2.774 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000454257681 331143043 /nfs/dbraw/zinc/14/30/43/331143043.db2.gz LMKACUMFMJFBIU-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(C)CCNC(=O)Nc1ccccc1CCN(C)C ZINC000455227811 331162893 /nfs/dbraw/zinc/16/28/93/331162893.db2.gz MIGCWBZDSPLHER-UHFFFAOYSA-N 0 3 275.396 2.878 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455306745 331165050 /nfs/dbraw/zinc/16/50/50/331165050.db2.gz GZAJZTAQTAACKB-MRXNPFEDSA-N 0 3 287.407 2.526 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455911024 331180712 /nfs/dbraw/zinc/18/07/12/331180712.db2.gz DFICYBIWAKYWNB-UHFFFAOYSA-N 0 3 298.390 2.525 20 30 CFEDHN CS[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456055129 331183536 /nfs/dbraw/zinc/18/35/36/331183536.db2.gz GFUZXDSARYKMFK-LSDHHAIUSA-N 0 3 288.416 2.723 20 30 CFEDHN CC[C@](C)(CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000456117820 331184724 /nfs/dbraw/zinc/18/47/24/331184724.db2.gz HCKGQSGKBIXPOW-NVXWUHKLSA-N 0 3 288.391 2.690 20 30 CFEDHN CC(C)[C@@H](C(=O)NCC(C)(C)CC#N)N1CCCCC1 ZINC000457990610 331239238 /nfs/dbraw/zinc/23/92/38/331239238.db2.gz PUXVQYNWAWFSFG-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2C[C@H]2c2ccccc2)C1=O ZINC000459543624 331286781 /nfs/dbraw/zinc/28/67/81/331286781.db2.gz PJZXGSHMIJCYLT-YESZJQIVSA-N 0 3 284.403 2.509 20 30 CFEDHN CC(C)(CCC#N)CNCc1cnc(C2CC2)nc1 ZINC000459570408 331288528 /nfs/dbraw/zinc/28/85/28/331288528.db2.gz ZSHIHPZIUKUNKD-UHFFFAOYSA-N 0 3 258.369 2.774 20 30 CFEDHN N#CCCCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646817 331292092 /nfs/dbraw/zinc/29/20/92/331292092.db2.gz SRZVURPDDVDMMX-LBPRGKRZSA-N 0 3 290.329 2.971 20 30 CFEDHN CC(C)(CC#N)CNCC1=Cc2ccccc2OC1 ZINC000459703458 331295157 /nfs/dbraw/zinc/29/51/57/331295157.db2.gz WHADXKFFISOZSP-UHFFFAOYSA-N 0 3 256.349 2.992 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000467429416 331418810 /nfs/dbraw/zinc/41/88/10/331418810.db2.gz XTKHWIOIFKYQLS-FUHWJXTLSA-N 0 3 288.435 2.878 20 30 CFEDHN C=CC[C@H](CC)NC(=O)c1ccccc1CN(C)C ZINC000487667280 331978500 /nfs/dbraw/zinc/97/85/00/331978500.db2.gz GIFDAYTXNXXBAE-AWEZNQCLSA-N 0 3 260.381 2.833 20 30 CFEDHN C=CCn1cccc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000488882076 332031883 /nfs/dbraw/zinc/03/18/83/332031883.db2.gz PZLPUPSCQIQCJI-GJZGRUSLSA-N 0 3 289.423 2.667 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000488990487 332036793 /nfs/dbraw/zinc/03/67/93/332036793.db2.gz XRROHLJNYDXOPI-HNNXBMFYSA-N 0 3 289.423 2.524 20 30 CFEDHN C=CCn1cccc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000489003834 332037228 /nfs/dbraw/zinc/03/72/28/332037228.db2.gz AEGOUHYFTGTMKA-UHFFFAOYSA-N 0 3 289.423 2.621 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1cccc(C)c1 ZINC000489427216 332051442 /nfs/dbraw/zinc/05/14/42/332051442.db2.gz LZVRDMPXPAMBJR-JKSUJKDBSA-N 0 3 275.392 2.775 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1C ZINC000489453323 332053570 /nfs/dbraw/zinc/05/35/70/332053570.db2.gz YWOYSSZMPRSKOK-CVEARBPZSA-N 0 3 275.392 2.775 20 30 CFEDHN C#CCN(CC)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490994385 332136852 /nfs/dbraw/zinc/13/68/52/332136852.db2.gz CIGXBUPBFPMXDR-MRXNPFEDSA-N 0 3 280.412 2.589 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H](O)c1cccc2ccccc21 ZINC000491068341 332144941 /nfs/dbraw/zinc/14/49/41/332144941.db2.gz OEVJICQGJZVRGR-DYVFJYSZSA-N 0 3 253.345 2.827 20 30 CFEDHN C#CCNC(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000491120880 332152193 /nfs/dbraw/zinc/15/21/93/332152193.db2.gz OJMFSKBCZXHKIE-JQIJEIRASA-N 0 3 296.414 2.551 20 30 CFEDHN C#CCNC(=O)CCN1CCC[C@H]1c1cccc(Cl)c1 ZINC000491155078 332157949 /nfs/dbraw/zinc/15/79/49/332157949.db2.gz OMRWHQZGEBWHQJ-HNNXBMFYSA-N 0 3 290.794 2.616 20 30 CFEDHN C#CCN(CCc1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000491209204 332165898 /nfs/dbraw/zinc/16/58/98/332165898.db2.gz CXFHRLLKYGIZRS-GOSISDBHSA-N 0 3 279.387 2.585 20 30 CFEDHN C#C[C@@H](NC[C@@H](C)COC)c1ccc(Cl)cc1 ZINC000491307051 332186697 /nfs/dbraw/zinc/18/66/97/332186697.db2.gz OQKYKRYZHLABPX-BXUZGUMPSA-N 0 3 251.757 2.886 20 30 CFEDHN C#C[C@@H](CC)NCc1cn(C)nc1-c1ccc(F)cc1 ZINC000491517595 332228408 /nfs/dbraw/zinc/22/84/08/332228408.db2.gz ZJBVNWTWUHHOTK-HNNXBMFYSA-N 0 3 271.339 2.728 20 30 CFEDHN C#CCN(CCC(=O)Nc1cccc(F)c1C)C1CC1 ZINC000491523627 332229154 /nfs/dbraw/zinc/22/91/54/332229154.db2.gz GCRMMCXQKABLKK-UHFFFAOYSA-N 0 3 274.339 2.560 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccc2c(c1)OCO2)C(C)C ZINC000491568269 332239828 /nfs/dbraw/zinc/23/98/28/332239828.db2.gz PYHIRHVUGQGAMK-CQSZACIVSA-N 0 3 297.358 2.553 20 30 CFEDHN C#CCN(CCC[C@@H](C)O)[C@@H]1CCc2ccccc21 ZINC000491626030 332249706 /nfs/dbraw/zinc/24/97/06/332249706.db2.gz LHGYIORAJZDYFB-RHSMWYFYSA-N 0 3 257.377 2.770 20 30 CFEDHN C#C[C@@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)C(C)(C)C ZINC000491638292 332258945 /nfs/dbraw/zinc/25/89/45/332258945.db2.gz XDUSJTVDVUHABS-JKSUJKDBSA-N 0 3 286.419 2.844 20 30 CFEDHN C#C[C@@H](NC1CCC(C(=O)OC)CC1)c1ccc(F)cc1 ZINC000491657228 332268631 /nfs/dbraw/zinc/26/86/31/332268631.db2.gz JVGOKXNDOUHIKS-AVVWSFFYSA-N 0 3 289.350 2.821 20 30 CFEDHN C#C[C@@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000491660581 332270752 /nfs/dbraw/zinc/27/07/52/332270752.db2.gz MPODRZMNUUVGDS-CZUORRHYSA-N 0 3 256.349 2.725 20 30 CFEDHN C#C[C@@H](NC1CCN(C)CC1)c1ccc(Cl)cc1F ZINC000491663779 332272772 /nfs/dbraw/zinc/27/27/72/332272772.db2.gz HGJYZSQVCWMPQZ-OAHLLOKOSA-N 0 3 280.774 2.837 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000575367528 335098264 /nfs/dbraw/zinc/09/82/64/335098264.db2.gz ILALVCJQHIBMJV-XHDPSFHLSA-N 0 3 279.343 2.757 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000491705673 332299003 /nfs/dbraw/zinc/29/90/03/332299003.db2.gz CVZXCDBHCYRUTC-RHSMWYFYSA-N 0 3 283.371 2.533 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000491716389 332306214 /nfs/dbraw/zinc/30/62/14/332306214.db2.gz UBDRLMLEEROJTP-NVXWUHKLSA-N 0 3 273.376 2.746 20 30 CFEDHN C#CCNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000491784026 332347279 /nfs/dbraw/zinc/34/72/79/332347279.db2.gz QDFLCCSLWSRWFQ-UHFFFAOYSA-N 0 3 299.292 2.814 20 30 CFEDHN C#C[C@H](NCc1ccc(-n2cncn2)c(F)c1)C(C)(C)C ZINC000491802538 332356578 /nfs/dbraw/zinc/35/65/78/332356578.db2.gz GEQDDVWIFPBUCW-HNNXBMFYSA-N 0 3 286.354 2.544 20 30 CFEDHN C[C@@H](CN1CCC(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000492131014 332383968 /nfs/dbraw/zinc/38/39/68/332383968.db2.gz IKLSPAPSWFUDJS-LBPRGKRZSA-N 0 3 281.400 2.525 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000494698949 332483435 /nfs/dbraw/zinc/48/34/35/332483435.db2.gz LWQCNFQEAPKYRM-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCOCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000495655137 332526172 /nfs/dbraw/zinc/52/61/72/332526172.db2.gz VNZUAKKUKTYHEE-UHFFFAOYSA-N 0 3 298.427 2.520 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCC2(CC#N)CC2)C1 ZINC000497073671 332569247 /nfs/dbraw/zinc/56/92/47/332569247.db2.gz PTIYHIPEDNFNEG-ZDUSSCGKSA-N 0 3 293.411 2.669 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000173197997 332966187 /nfs/dbraw/zinc/96/61/87/332966187.db2.gz HCNRNDADKVVPON-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC)C[C@@H](C)CC)CC1 ZINC000178669400 333076559 /nfs/dbraw/zinc/07/65/59/333076559.db2.gz LXELTUIXRQWPFF-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCCCCN1CCO[C@@]2(CCSC2)C1 ZINC000516765634 333082212 /nfs/dbraw/zinc/08/22/12/333082212.db2.gz DEFVZNHQYLTEFW-AWEZNQCLSA-N 0 3 255.427 2.941 20 30 CFEDHN Cc1n[nH]cc1C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000517095450 333092653 /nfs/dbraw/zinc/09/26/53/333092653.db2.gz MRTABPJEOTZVRR-OCCSQVGLSA-N 0 3 258.369 2.590 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCC(C)(C)N1CCCCC1 ZINC000189867188 333199773 /nfs/dbraw/zinc/19/97/73/333199773.db2.gz GXTZGDFUBLJIOL-INIZCTEOSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000190557601 333208219 /nfs/dbraw/zinc/20/82/19/333208219.db2.gz FSHMQRKHWSFOJK-OFQRWUPVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCOc1ccccc1CNCCOCC1CC1 ZINC000224531113 333222128 /nfs/dbraw/zinc/22/21/28/333222128.db2.gz UUCTZWXHDJNKQM-UHFFFAOYSA-N 0 3 261.365 2.768 20 30 CFEDHN C=CCN(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195226748 333248263 /nfs/dbraw/zinc/24/82/63/333248263.db2.gz BIGHWHCHHFCXHU-OAHLLOKOSA-N 0 3 268.401 2.751 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2CCCCCCC2)CC1 ZINC000194387620 333270472 /nfs/dbraw/zinc/27/04/72/333270472.db2.gz WQHTZTZZYORXQH-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000194592555 333272954 /nfs/dbraw/zinc/27/29/54/333272954.db2.gz IMYIHRYQFSPPQC-CYBMUJFWSA-N 0 3 289.379 2.621 20 30 CFEDHN C[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338235389 335135327 /nfs/dbraw/zinc/13/53/27/335135327.db2.gz OHYTWEYZJWCEKP-ZBFHGGJFSA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@@H](C)[C@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000524811548 333389060 /nfs/dbraw/zinc/38/90/60/333389060.db2.gz NNVAXAUELRPPOH-HUUCEWRRSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000575989693 335139096 /nfs/dbraw/zinc/13/90/96/335139096.db2.gz YLVNWCBVEQOFEJ-WBVHZDCISA-N 0 3 273.376 2.862 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCOC)CC1 ZINC000528572718 333446595 /nfs/dbraw/zinc/44/65/95/333446595.db2.gz GMQSPWOFCQXTTA-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)CCCC#N ZINC000576051426 335146445 /nfs/dbraw/zinc/14/64/45/335146445.db2.gz HWHNEUQDFRYVRL-UHFFFAOYSA-N 0 3 274.368 2.736 20 30 CFEDHN C=C(C)COCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000125800938 333573732 /nfs/dbraw/zinc/57/37/32/333573732.db2.gz NHCSXXRMFIGEGC-ZDUSSCGKSA-N 0 3 291.391 2.701 20 30 CFEDHN Cc1nn(-c2ccncc2)cc1CN1CCC(C)(C#N)CC1 ZINC000543415422 333872660 /nfs/dbraw/zinc/87/26/60/333872660.db2.gz UXJNLXVWWDKDDN-UHFFFAOYSA-N 0 3 295.390 2.701 20 30 CFEDHN C=CCCCCN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000564289020 333977324 /nfs/dbraw/zinc/97/73/24/333977324.db2.gz GHTDWWLBGSTREH-OAHLLOKOSA-N 0 3 281.421 2.718 20 30 CFEDHN CC(C)C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000074995208 334022224 /nfs/dbraw/zinc/02/22/24/334022224.db2.gz AQLGKWKRPPGJLA-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]2CCC[C@@H]21 ZINC000075768933 334050888 /nfs/dbraw/zinc/05/08/88/334050888.db2.gz JOUMCWCWKIXSQU-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134017461 334077532 /nfs/dbraw/zinc/07/75/32/334077532.db2.gz BXXIFWKKTIWSMJ-QWHCGFSZSA-N 0 3 268.401 2.798 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000076738408 334088316 /nfs/dbraw/zinc/08/83/16/334088316.db2.gz GIZBJJJSBCWDJB-JKSUJKDBSA-N 0 3 296.455 2.596 20 30 CFEDHN CC(C)N(CC#Cc1ccccc1Cl)C[C@@H](C)O ZINC000135060856 334114141 /nfs/dbraw/zinc/11/41/41/334114141.db2.gz HTYDCVKNXDXFJW-CYBMUJFWSA-N 0 3 265.784 2.783 20 30 CFEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCCCC[C@H]2O)C1 ZINC000135653332 334135391 /nfs/dbraw/zinc/13/53/91/334135391.db2.gz XNWNVKFCQUGLCZ-QLOLRVAOSA-N 0 3 284.403 2.894 20 30 CFEDHN COc1cc(C)ccc1C(=O)C(C#N)c1ccccn1 ZINC000548381694 334153335 /nfs/dbraw/zinc/15/33/35/334153335.db2.gz LOQSUBHBIOOUDK-CYBMUJFWSA-N 0 3 266.300 2.889 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000548423278 334155329 /nfs/dbraw/zinc/15/53/29/334155329.db2.gz HVGBTVZKHNGTLL-GFCCVEGCSA-N 0 3 281.318 2.622 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000549535886 334196732 /nfs/dbraw/zinc/19/67/32/334196732.db2.gz JRYXQVAMFMWJDD-GZBFAFLISA-N 0 3 281.363 2.610 20 30 CFEDHN CN(Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@H](C#N)C1 ZINC000549741822 334203433 /nfs/dbraw/zinc/20/34/33/334203433.db2.gz SDJDFKKJUYYGGK-JSGCOSHPSA-N 0 3 272.348 2.582 20 30 CFEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2ccccc12 ZINC000551357329 334247647 /nfs/dbraw/zinc/24/76/47/334247647.db2.gz DEVBOWJSJHJYBM-CYBMUJFWSA-N 0 3 266.348 2.744 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@H]2CCCC[C@@H]21 ZINC000248454013 334302611 /nfs/dbraw/zinc/30/26/11/334302611.db2.gz ZFMBOTVIGZKXLH-PNBKFKSVSA-N 0 3 291.439 2.551 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCCC[C@@H]1CC ZINC000249082353 334326847 /nfs/dbraw/zinc/32/68/47/334326847.db2.gz LTZGIUYAGVJHSY-HOCLYGCPSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249514256 334335298 /nfs/dbraw/zinc/33/52/98/334335298.db2.gz ANJSNFJRJGKEMJ-HUUCEWRRSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000249606443 334337838 /nfs/dbraw/zinc/33/78/38/334337838.db2.gz ZUXNXWRAKHCJQH-DLBZAZTESA-N 0 3 286.419 2.947 20 30 CFEDHN Cn1cc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)s2)cn1 ZINC000567661212 334747950 /nfs/dbraw/zinc/74/79/50/334747950.db2.gz SEYMIQWFUZIUJE-WCQYABFASA-N 0 3 286.404 2.930 20 30 CFEDHN CC(C)C[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)CCO1 ZINC000567710275 334754276 /nfs/dbraw/zinc/75/42/76/334754276.db2.gz HXKQQULGILWRPS-QLFBSQMISA-N 0 3 263.385 2.613 20 30 CFEDHN COc1sc(CNCCCC#N)cc1Br ZINC000273080623 334760525 /nfs/dbraw/zinc/76/05/25/334760525.db2.gz QQLBFDPHXKQGFO-UHFFFAOYSA-N 0 3 289.198 2.913 20 30 CFEDHN CC(C)(C#N)CCN1CCC(CC(=O)N2CCCC2)CC1 ZINC000157686626 334780994 /nfs/dbraw/zinc/78/09/94/334780994.db2.gz NRUMOLGJGMJTEC-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN Cc1cc(OC(C)C)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000572833242 334882102 /nfs/dbraw/zinc/88/21/02/334882102.db2.gz DNHCEZWUSXBZOK-AWEZNQCLSA-N 0 3 289.379 2.742 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(CC#N)cc2)CC[C@@H]1C ZINC000342728346 335186246 /nfs/dbraw/zinc/18/62/46/335186246.db2.gz HJXDVIHTSSZBQE-BBRMVZONSA-N 0 3 258.365 2.609 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000175477128 335186315 /nfs/dbraw/zinc/18/63/15/335186315.db2.gz QRRCDRRZXZUBRI-UHFFFAOYSA-N 0 3 291.439 2.753 20 30 CFEDHN CC[C@H](C)CN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343687676 335216582 /nfs/dbraw/zinc/21/65/82/335216582.db2.gz OFRUFORIYROGNL-LZWOXQAQSA-N 0 3 281.444 2.797 20 30 CFEDHN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(CCC#N)CC1 ZINC000576819973 335251381 /nfs/dbraw/zinc/25/13/81/335251381.db2.gz MPOUWHBCJAGPNT-HNNXBMFYSA-N 0 3 291.439 2.649 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000176497621 335288977 /nfs/dbraw/zinc/28/89/77/335288977.db2.gz MGYFVNACCAMHAT-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(CC#N)cc1 ZINC000577239692 335328732 /nfs/dbraw/zinc/32/87/32/335328732.db2.gz PTWBLLMUOWYLEX-QGZVFWFLSA-N 0 3 299.418 2.699 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2ccc(F)cc12 ZINC000578795358 335676003 /nfs/dbraw/zinc/67/60/03/335676003.db2.gz DMWBROPZAVBOLT-LBPRGKRZSA-N 0 3 284.338 2.883 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cncc(Br)c1 ZINC000579129748 335713677 /nfs/dbraw/zinc/71/36/77/335713677.db2.gz JSUMMQHIXNOCTK-QWRGUYRKSA-N 0 3 299.212 2.679 20 30 CFEDHN C=C1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000382528144 336092489 /nfs/dbraw/zinc/09/24/89/336092489.db2.gz DHHPEGSEUSLNEY-UKRRQHHQSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CCOc1ccccc1CNCCC(C)(C)CO ZINC000385907940 336161139 /nfs/dbraw/zinc/16/11/39/336161139.db2.gz QGMJXMFRZIRRQE-UHFFFAOYSA-N 0 3 263.381 2.750 20 30 CFEDHN N#CCCC[C@@H](NCC(=O)NCC1CC1)c1ccccc1 ZINC000433018583 501029536 /nfs/dbraw/zinc/02/95/36/501029536.db2.gz FEBGDRFPMRMXMW-MRXNPFEDSA-N 0 3 285.391 2.537 20 30 CFEDHN CC[C@@H](CNc1snc(C)c1C#N)N1CCCC1 ZINC000360966126 522553425 /nfs/dbraw/zinc/55/34/25/522553425.db2.gz MWKQBXXFJDIGET-NSHDSACASA-N 0 3 264.398 2.610 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)s1 ZINC000355355899 535616703 /nfs/dbraw/zinc/61/67/03/535616703.db2.gz OXARKWAGFWHZEH-UHFFFAOYSA-N 0 3 280.393 2.783 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC(F)(F)F ZINC000425537685 534082278 /nfs/dbraw/zinc/08/22/78/534082278.db2.gz QQLGRPPCCXYXSU-GXFFZTMASA-N 0 3 286.297 2.864 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC(C)(C)C#N)C1 ZINC000352045560 534108070 /nfs/dbraw/zinc/10/80/70/534108070.db2.gz CHKPREBXXOSDOI-GOEBONIOSA-N 0 3 299.418 2.878 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)F)C(C)C ZINC000153225790 517327845 /nfs/dbraw/zinc/32/78/45/517327845.db2.gz JOUUKPAQOBWFHN-CYBMUJFWSA-N 0 3 270.392 2.549 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000347085553 534283598 /nfs/dbraw/zinc/28/35/98/534283598.db2.gz ZUHZHUBLVOZFRX-KOLCDFICSA-N 0 3 270.254 2.956 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC000347035813 534283811 /nfs/dbraw/zinc/28/38/11/534283811.db2.gz LIIVWANTJRPXLQ-ZJUUUORDSA-N 0 3 273.361 2.503 20 30 CFEDHN O=C(CN[C@H]1CCO[C@@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000330258288 534338470 /nfs/dbraw/zinc/33/84/70/534338470.db2.gz MIJUNDBDSHHPDY-DZGCQCFKSA-N 0 3 296.317 2.710 20 30 CFEDHN CCCN1CCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000353136286 519853435 /nfs/dbraw/zinc/85/34/35/519853435.db2.gz KMNSLYUOORRHSM-OAHLLOKOSA-N 0 3 275.371 2.661 20 30 CFEDHN CCOCCN(CC)Cc1ccc(C#N)c(F)c1 ZINC000192014954 519908849 /nfs/dbraw/zinc/90/88/49/519908849.db2.gz MDPXQDBJHDITIH-UHFFFAOYSA-N 0 3 250.317 2.556 20 30 CFEDHN CCCCCN(CCO)Cc1cc(C#N)cs1 ZINC000305736284 520170889 /nfs/dbraw/zinc/17/08/89/520170889.db2.gz SRORRTYVAVYHOC-UHFFFAOYSA-N 0 3 252.383 2.604 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192026254 520171551 /nfs/dbraw/zinc/17/15/51/520171551.db2.gz FLUUTNJTZISYQZ-AWEZNQCLSA-N 0 3 276.355 2.946 20 30 CFEDHN CCN(C)C(=O)[C@@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360883385 520201834 /nfs/dbraw/zinc/20/18/34/520201834.db2.gz JROPFRHVHCARTA-CXAGYDPISA-N 0 3 299.418 2.782 20 30 CFEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC000230316476 520358815 /nfs/dbraw/zinc/35/88/15/520358815.db2.gz VPXSKAABLUWXNL-UHFFFAOYSA-N 0 3 271.364 2.619 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000077701514 520405925 /nfs/dbraw/zinc/40/59/25/520405925.db2.gz WWYZEWWAFDUFEV-UHFFFAOYSA-N 0 3 292.358 2.551 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191390147 520568122 /nfs/dbraw/zinc/56/81/22/520568122.db2.gz ZAYQLKYXCXRNPK-GJZGRUSLSA-N 0 3 275.396 2.532 20 30 CFEDHN CCN1CCC[C@@H]1CN(C)c1nccc(C#N)c1Cl ZINC000233468366 521632659 /nfs/dbraw/zinc/63/26/59/521632659.db2.gz DRRFVTWAVNHUNG-GFCCVEGCSA-N 0 3 278.787 2.527 20 30 CFEDHN CCOC1(C)CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000314485700 521635491 /nfs/dbraw/zinc/63/54/91/521635491.db2.gz CPHRKOWTIZPYCG-UHFFFAOYSA-N 0 3 288.391 2.958 20 30 CFEDHN CCN1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360307310 521652159 /nfs/dbraw/zinc/65/21/59/521652159.db2.gz ARNXSURRUJUSTA-YOEHRIQHSA-N 0 3 299.418 2.604 20 30 CFEDHN CCN1CCC[C@H]1CN(C)c1nccc(C#N)c1Cl ZINC000233478315 521652948 /nfs/dbraw/zinc/65/29/48/521652948.db2.gz DRRFVTWAVNHUNG-LBPRGKRZSA-N 0 3 278.787 2.527 20 30 CFEDHN CCC(O)(CC)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305829946 521657214 /nfs/dbraw/zinc/65/72/14/521657214.db2.gz SWEUJXHHHWHLLR-LLVKDONJSA-N 0 3 264.344 2.899 20 30 CFEDHN CCC(O)(CC)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305864609 521657620 /nfs/dbraw/zinc/65/76/20/521657620.db2.gz YIJXFMFFFMWXSM-LLVKDONJSA-N 0 3 264.344 2.899 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc(C#N)n(C)c1 ZINC000191447144 521702006 /nfs/dbraw/zinc/70/20/06/521702006.db2.gz JTCYXXXAQNJISR-HZPDHXFCSA-N 0 3 289.423 2.922 20 30 CFEDHN CCN1CC[C@@H](N(C)C(=O)c2sccc2C#N)C[C@@H]1C ZINC000335170093 521712620 /nfs/dbraw/zinc/71/26/20/521712620.db2.gz PEEFESSBWJOAQH-WCQYABFASA-N 0 3 291.420 2.565 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000055066337 522126335 /nfs/dbraw/zinc/12/63/35/522126335.db2.gz DVHAHXNHGLIYKN-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN CC[C@@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305810809 522510156 /nfs/dbraw/zinc/51/01/56/522510156.db2.gz JAUBJXZWACHURU-RYUDHWBXSA-N 0 3 264.344 2.757 20 30 CFEDHN COC1(CN(C)Cc2cccc(C#N)c2)CCCC1 ZINC000361502459 522599955 /nfs/dbraw/zinc/59/99/55/522599955.db2.gz XBRRMWJAGKJFIP-UHFFFAOYSA-N 0 3 258.365 2.949 20 30 CFEDHN COC1(CNCc2cc(C#N)cs2)CCCC1 ZINC000310222224 522629667 /nfs/dbraw/zinc/62/96/67/522629667.db2.gz FOIXAPUVSSYKKJ-UHFFFAOYSA-N 0 3 250.367 2.669 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@@H]1CCCC[C@@H]1O ZINC000305853579 523167835 /nfs/dbraw/zinc/16/78/35/523167835.db2.gz VSFNIDBDJYCEGH-JSGCOSHPSA-N 0 3 264.394 2.603 20 30 CFEDHN Cn1c2ccccc2cc(CN[C@H]2CCC[C@H](C#N)C2)c1=O ZINC000336106922 534711917 /nfs/dbraw/zinc/71/19/17/534711917.db2.gz QOFXJROAOGTZGY-BBRMVZONSA-N 0 3 295.386 2.710 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC(CCCO)CC1 ZINC000360089087 523523044 /nfs/dbraw/zinc/52/30/44/523523044.db2.gz PIIYKVIQRVGQDF-UHFFFAOYSA-N 0 3 288.391 2.551 20 30 CFEDHN CN1CC=C(CNc2cc(Cl)ccc2C#N)CC1 ZINC000334979706 523749047 /nfs/dbraw/zinc/74/90/47/523749047.db2.gz FTPYGQMDMRQEKA-UHFFFAOYSA-N 0 3 261.756 2.885 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000055066345 523955228 /nfs/dbraw/zinc/95/52/28/523955228.db2.gz RQWRHIFDEHKVRV-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN CN1CCc2cc(CNCc3ccc(C#N)cc3)ccc21 ZINC000050286706 523997053 /nfs/dbraw/zinc/99/70/53/523997053.db2.gz BPDADAYITYBBPR-UHFFFAOYSA-N 0 3 277.371 2.840 20 30 CFEDHN CN(C)CCN(C(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000063829486 524059454 /nfs/dbraw/zinc/05/94/54/524059454.db2.gz RIZRQTJDHXPYDQ-UHFFFAOYSA-N 0 3 293.370 2.767 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)ccn1 ZINC000339223195 524388882 /nfs/dbraw/zinc/38/88/82/524388882.db2.gz JWUXPCAPUYFBQJ-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000320736376 524573171 /nfs/dbraw/zinc/57/31/71/524573171.db2.gz YEZMDLMWPLEHTJ-ZDUSSCGKSA-N 0 3 288.391 2.968 20 30 CFEDHN Cc1cc(CN2CCCC[C@@H]2[C@H](C)O)ccc1C#N ZINC000336302980 524682033 /nfs/dbraw/zinc/68/20/33/524682033.db2.gz QKBROONKDLMKDX-XJKSGUPXSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1cc(CN2CCC[C@@]3(CCOC3)C2)ccc1C#N ZINC000336224940 524685240 /nfs/dbraw/zinc/68/52/40/524685240.db2.gz OXQYUGOERVCSOK-QGZVFWFLSA-N 0 3 270.376 2.869 20 30 CFEDHN C[C@H]1N(Cc2ccc(C#N)o2)CCC12CCOCC2 ZINC000336327892 525002558 /nfs/dbraw/zinc/00/25/58/525002558.db2.gz JNTKOSPFJOTTAX-GFCCVEGCSA-N 0 3 260.337 2.542 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCOC1 ZINC000162838070 525437624 /nfs/dbraw/zinc/43/76/24/525437624.db2.gz ZNUDCHZRHOGDQW-GWCFXTLKSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000228727628 525838606 /nfs/dbraw/zinc/83/86/06/525838606.db2.gz BDUAHLKOXLZVGZ-IUODEOHRSA-N 0 3 276.355 2.823 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000066161419 526001486 /nfs/dbraw/zinc/00/14/86/526001486.db2.gz RWTCUHCIOFDCKT-OAHLLOKOSA-N 0 3 298.390 2.569 20 30 CFEDHN C=C(C)CN(CC[C@H]1CCCO1)Cc1ccc(CO)o1 ZINC000352799921 526552329 /nfs/dbraw/zinc/55/23/29/526552329.db2.gz NUKOQPRGXOLSJD-CQSZACIVSA-N 0 3 279.380 2.719 20 30 CFEDHN N#Cc1cc(N2CCN(CC3CC3)CC2)nc2ccccc12 ZINC000316047815 526564542 /nfs/dbraw/zinc/56/45/42/526564542.db2.gz WUYYTBZZWUZZDK-UHFFFAOYSA-N 0 3 292.386 2.638 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)=C[C@H](C)C2)CC1 ZINC000334710646 526584082 /nfs/dbraw/zinc/58/40/82/526584082.db2.gz XMKWAGMXQUXEAH-AWEZNQCLSA-N 0 3 291.439 2.635 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)c(C)c2)CC1 ZINC000106035120 526600633 /nfs/dbraw/zinc/60/06/33/526600633.db2.gz QYJCSADCDCXXDU-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN N#Cc1ccc(CNC2(C3CC3)CCOCC2)c(F)c1 ZINC000361969008 526621476 /nfs/dbraw/zinc/62/14/76/526621476.db2.gz UZXMDXBCXMOWGF-UHFFFAOYSA-N 0 3 274.339 2.746 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccccc2)c(F)c1 ZINC000051770460 526622887 /nfs/dbraw/zinc/62/28/87/526622887.db2.gz KLOKETGCWGBISZ-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCS2)c(F)c1 ZINC000150013550 526623861 /nfs/dbraw/zinc/62/38/61/526623861.db2.gz FYGSQUBZVWQHRV-LBPRGKRZSA-N 0 3 250.342 2.683 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000246083923 526627234 /nfs/dbraw/zinc/62/72/34/526627234.db2.gz LKILOGYPEQWLGK-MGPQQGTHSA-N 0 3 274.389 2.667 20 30 CFEDHN C=C(C)COc1cc(CNCC(C)(C)O)ccc1OC ZINC000111385898 526661006 /nfs/dbraw/zinc/66/10/06/526661006.db2.gz BTEWLFSYNNGEGU-UHFFFAOYSA-N 0 3 279.380 2.511 20 30 CFEDHN C=C(C)COc1cc(CNCC[C@H](C)O)ccc1OC ZINC000114771586 526661378 /nfs/dbraw/zinc/66/13/78/526661378.db2.gz JJMVRJJRGLVXNS-ZDUSSCGKSA-N 0 3 279.380 2.511 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H]1O ZINC000347804206 526673113 /nfs/dbraw/zinc/67/31/13/526673113.db2.gz ZISPQJVJGUPSQJ-IAGOWNOFSA-N 0 3 286.419 2.982 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H](O)C(F)(F)F ZINC000360648142 526691288 /nfs/dbraw/zinc/69/12/88/526691288.db2.gz PGINXHPWKOOILO-KBPBESRZSA-N 0 3 298.308 2.839 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344647907 526698956 /nfs/dbraw/zinc/69/89/56/526698956.db2.gz SUQKREBPRVGXGG-ZIAGYGMSSA-N 0 3 266.429 2.825 20 30 CFEDHN N#Cc1cccc(CN[C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365161229 526710712 /nfs/dbraw/zinc/71/07/12/526710712.db2.gz JOVSXDSVCPNCLS-IEBWSBKVSA-N 0 3 292.382 2.944 20 30 CFEDHN C=CCOCCCN(C)Cc1ccc(OC)cc1OC ZINC000347966253 526748256 /nfs/dbraw/zinc/74/82/56/526748256.db2.gz MFLARKBVMNBBNS-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN C=CCOCCCN1CCN(CCC(C)(C)C)CC1 ZINC000347965158 526755734 /nfs/dbraw/zinc/75/57/34/526755734.db2.gz DJHMUKCOXDSGOT-UHFFFAOYSA-N 0 3 268.445 2.633 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@H]2C)cc1OC ZINC000344415493 526891691 /nfs/dbraw/zinc/89/16/91/526891691.db2.gz XMXLHRSHJUPMBQ-SUMWQHHRSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@@H]2C)cc1OC ZINC000344415490 526892496 /nfs/dbraw/zinc/89/24/96/526892496.db2.gz XMXLHRSHJUPMBQ-CXAGYDPISA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCOc1ccccc1C(=O)N(CCC)CCN(C)C ZINC000344860262 526922414 /nfs/dbraw/zinc/92/24/14/526922414.db2.gz WCBZGCUIDCMACK-UHFFFAOYSA-N 0 3 290.407 2.665 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H](O)CC1 ZINC000354724043 526932091 /nfs/dbraw/zinc/93/20/91/526932091.db2.gz AVJXXBRTVNHCII-HNNXBMFYSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CCC)CCN(C)C ZINC000344819710 527022491 /nfs/dbraw/zinc/02/24/91/527022491.db2.gz AZKKIMIEWWWMRK-UHFFFAOYSA-N 0 3 252.402 2.555 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@]3(CCN(C)C3)C2)CCCC1 ZINC000334634368 527047170 /nfs/dbraw/zinc/04/71/70/527047170.db2.gz MSRGJNSYPWCJOH-MRXNPFEDSA-N 0 3 276.424 2.677 20 30 CFEDHN C=CCCCC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344740913 527103173 /nfs/dbraw/zinc/10/31/73/527103173.db2.gz MQEVFPQDGNPYGX-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C#CCOc1ccc(CNC[C@H](c2ccco2)N(C)C)cc1 ZINC000113313143 527105529 /nfs/dbraw/zinc/10/55/29/527105529.db2.gz RKUONBHWBSXLCJ-QGZVFWFLSA-N 0 3 298.386 2.684 20 30 CFEDHN C=CCCCCCN(C)CCc1nnnn1-c1ccccc1 ZINC000351896309 527128589 /nfs/dbraw/zinc/12/85/89/527128589.db2.gz HJOKOURMXBFQCC-UHFFFAOYSA-N 0 3 299.422 2.883 20 30 CFEDHN C=CC[C@H](CO)C[NH2+]Cc1cc([O-])cc(C(F)(F)F)c1 ZINC000352796903 527185814 /nfs/dbraw/zinc/18/58/14/527185814.db2.gz LCOYONTXEFMAOB-JTQLQIEISA-N 0 3 289.297 2.685 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000352796903 527185816 /nfs/dbraw/zinc/18/58/16/527185816.db2.gz LCOYONTXEFMAOB-JTQLQIEISA-N 0 3 289.297 2.685 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417983239 527265975 /nfs/dbraw/zinc/26/59/75/527265975.db2.gz NVZOKTHXLJVIQO-UKRRQHHQSA-N 0 3 275.396 2.730 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000353573370 527442657 /nfs/dbraw/zinc/44/26/57/527442657.db2.gz HKLPZSSKSNDUSL-ONGXEEELSA-N 0 3 275.270 2.783 20 30 CFEDHN CC(C)(C#N)CCN1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351968671 527465788 /nfs/dbraw/zinc/46/57/88/527465788.db2.gz RSXSKYPAHAMZDS-OLZOCXBDSA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCC[C@H](NC[C@]1(OC)CCOC1)c1ccco1 ZINC000353682213 527485069 /nfs/dbraw/zinc/48/50/69/527485069.db2.gz CFYSVLOCAXZVOR-DZGCQCFKSA-N 0 3 265.353 2.682 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCC[C@@H]1C(=O)NC)c1ccco1 ZINC000353617614 527488281 /nfs/dbraw/zinc/48/82/81/527488281.db2.gz DSIPMFJNGVJNOA-IHRRRGAJSA-N 0 3 276.380 2.791 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344643668 527610550 /nfs/dbraw/zinc/61/05/50/527610550.db2.gz NAEXVBOIYZSPSM-CZUORRHYSA-N 0 3 266.429 2.825 20 30 CFEDHN CCN(C)CCNc1nc2c(cc1C#N)CCCC2(C)C ZINC000428099538 527801760 /nfs/dbraw/zinc/80/17/60/527801760.db2.gz BQDIGVWOWIVBMT-UHFFFAOYSA-N 0 3 286.423 2.931 20 30 CFEDHN CCC1CCC(N(C)CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000331549502 527840438 /nfs/dbraw/zinc/84/04/38/527840438.db2.gz QSMVZABSEQUUQC-PUJMQQBBSA-N 0 3 291.439 2.695 20 30 CFEDHN CCN(CC)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352226123 528089844 /nfs/dbraw/zinc/08/98/44/528089844.db2.gz RLRKFMVHMVAMBD-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN CCO[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000414143561 528102254 /nfs/dbraw/zinc/10/22/54/528102254.db2.gz LTNBEJIPUQYABS-LEWSCRJBSA-N 0 3 262.328 2.915 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1CC(C)C ZINC000354690764 528691933 /nfs/dbraw/zinc/69/19/33/528691933.db2.gz VDOMNBZMIVQYQS-CABCVRRESA-N 0 3 279.428 2.505 20 30 CFEDHN CCN(Cc1ccc(C(=O)N[C@H](C#N)C(C)C)cc1)C1CC1 ZINC000347519348 528775155 /nfs/dbraw/zinc/77/51/55/528775155.db2.gz NTYIRCONPYTGAZ-QGZVFWFLSA-N 0 3 299.418 2.949 20 30 CFEDHN CCN(Cc1cccc(Br)c1)C(=O)C(C)C#N ZINC000347076608 528803639 /nfs/dbraw/zinc/80/36/39/528803639.db2.gz UGYQNRPQYYLIQY-JTQLQIEISA-N 0 3 295.180 2.957 20 30 CFEDHN CC1(C#N)CN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000334580407 528845998 /nfs/dbraw/zinc/84/59/98/528845998.db2.gz PWPUKWGYUSDIDE-UHFFFAOYSA-N 0 3 297.402 2.658 20 30 CFEDHN CCN1CCC(NC(=O)c2oc(CC3CC3)nc2C)CC1 ZINC000330011633 528960450 /nfs/dbraw/zinc/96/04/50/528960450.db2.gz JGHXSXYNMLAZMW-UHFFFAOYSA-N 0 3 291.395 2.724 20 30 CFEDHN CC(C)CN(C(=O)/C=C/CN(C)C)c1ccc(C#N)cc1 ZINC000491874728 534993820 /nfs/dbraw/zinc/99/38/20/534993820.db2.gz WPIPTFSTCFJMDS-AATRIKPKSA-N 0 3 285.391 2.665 20 30 CFEDHN CCC[C@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000271790178 535610010 /nfs/dbraw/zinc/61/00/10/535610010.db2.gz ITZYKVRFBGDLBB-AWEZNQCLSA-N 0 3 272.396 2.511 20 30 CFEDHN CCC[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000459809509 535706282 /nfs/dbraw/zinc/70/62/82/535706282.db2.gz SRVOEGVDDNJDPR-JKSUJKDBSA-N 0 3 285.391 2.643 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1OC ZINC000452016659 535753930 /nfs/dbraw/zinc/75/39/30/535753930.db2.gz NXHLOJUTYMENEL-GDBMZVCRSA-N 0 3 274.364 2.614 20 30 CFEDHN C#C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000491363347 545518482 /nfs/dbraw/zinc/51/84/82/545518482.db2.gz YYOBVMBBSWTMSU-JKSUJKDBSA-N 0 3 282.387 2.923 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744033834 574049925 /nfs/dbraw/zinc/04/99/25/574049925.db2.gz VUHFBFGHJCGKAU-GXFFZTMASA-N 0 3 292.766 2.677 20 30 CFEDHN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1 ZINC000753928433 574055356 /nfs/dbraw/zinc/05/53/56/574055356.db2.gz JYTCMFAIPAIEOD-HUUCEWRRSA-N 0 3 270.380 2.661 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(=O)CC1 ZINC000753949450 574058013 /nfs/dbraw/zinc/05/80/13/574058013.db2.gz JYLLOXLABCJMKA-ZDUSSCGKSA-N 0 3 295.342 2.509 20 30 CFEDHN C#Cc1cccc(NC(=S)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000753967072 574060209 /nfs/dbraw/zinc/06/02/09/574060209.db2.gz YPJAQYLECUIDCV-WFASDCNBSA-N 0 3 299.443 2.580 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000736669212 574064534 /nfs/dbraw/zinc/06/45/34/574064534.db2.gz ZGXRJROAONKNGR-WCQYABFASA-N 0 3 292.766 2.869 20 30 CFEDHN C=C(C)CCOC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000744299517 574064753 /nfs/dbraw/zinc/06/47/53/574064753.db2.gz FMBCINAMJOUAKD-AWEZNQCLSA-N 0 3 291.322 2.688 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000736673685 574065015 /nfs/dbraw/zinc/06/50/15/574065015.db2.gz NBNWLKXZWKYTAX-AWEZNQCLSA-N 0 3 285.391 2.699 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000736680687 574065153 /nfs/dbraw/zinc/06/51/53/574065153.db2.gz CIIFSHSEMAUFLT-NOZJJQNGSA-N 0 3 264.275 2.788 20 30 CFEDHN CO[C@H](CNCc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000744449209 574075037 /nfs/dbraw/zinc/07/50/37/574075037.db2.gz SPSVETFFEMZRDY-XJKSGUPXSA-N 0 3 276.380 2.738 20 30 CFEDHN C[C@H](NCc1ccnc(N(C)C)c1)c1cccc(C#N)c1 ZINC000754139850 574076956 /nfs/dbraw/zinc/07/69/56/574076956.db2.gz JYLGBLYPCHNHDP-ZDUSSCGKSA-N 0 3 280.375 2.870 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1ccnc(N(C)C)c1 ZINC000754265845 574097703 /nfs/dbraw/zinc/09/77/03/574097703.db2.gz SHFKSVXPHFPCNB-UHFFFAOYSA-N 0 3 285.391 2.971 20 30 CFEDHN C[C@@H](NCC(=O)NCCC#N)c1csc2ccccc21 ZINC000754734835 574117457 /nfs/dbraw/zinc/11/74/57/574117457.db2.gz GUNCNGHUTNPKLV-LLVKDONJSA-N 0 3 287.388 2.582 20 30 CFEDHN CC(C)n1cc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000754801890 574122157 /nfs/dbraw/zinc/12/21/57/574122157.db2.gz ZYQXPJFUFUSBHH-SUMWQHHRSA-N 0 3 298.390 2.720 20 30 CFEDHN CCC#C[C@H](C)N1CCC(c2nccc(C)n2)CC1 ZINC000755211085 574147153 /nfs/dbraw/zinc/14/71/53/574147153.db2.gz CHZYGTWPLFIQFQ-AWEZNQCLSA-N 0 3 257.381 2.766 20 30 CFEDHN CC[C@@H]1CN(CC(=O)NCCC#N)CC[C@@H]1c1ccccc1 ZINC000746669355 574161387 /nfs/dbraw/zinc/16/13/87/574161387.db2.gz UJPIUTVJNIUIBC-WBVHZDCISA-N 0 3 299.418 2.532 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674685 574162224 /nfs/dbraw/zinc/16/22/24/574162224.db2.gz OYFYYQYLHQOJJJ-XYJFISCASA-N 0 3 298.430 2.640 20 30 CFEDHN CCO[C@@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000729067451 574167489 /nfs/dbraw/zinc/16/74/89/574167489.db2.gz KYHKGXBTSNEOHS-WCQYABFASA-N 0 3 268.316 2.836 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)c1ccccc1 ZINC000729069679 574167591 /nfs/dbraw/zinc/16/75/91/574167591.db2.gz LKXZJVATIUDNKW-ZFWWWQNUSA-N 0 3 284.359 2.581 20 30 CFEDHN C[Si](C)(C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000729268247 574195551 /nfs/dbraw/zinc/19/55/51/574195551.db2.gz SVFXFTLAIQVSJU-UHFFFAOYSA-N 0 3 291.446 2.697 20 30 CFEDHN C=C(C)[C@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000756011346 574204291 /nfs/dbraw/zinc/20/42/91/574204291.db2.gz GKVPESATPMNPNW-FZMZJTMJSA-N 0 3 291.322 2.686 20 30 CFEDHN C=CCCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000739903755 574228289 /nfs/dbraw/zinc/22/82/89/574228289.db2.gz MUCSZIBRDRBEFO-UHFFFAOYSA-N 0 3 281.403 2.929 20 30 CFEDHN N#Cc1csc(CNC[C@]2(O)CCCc3ccccc32)c1 ZINC000748099481 574228988 /nfs/dbraw/zinc/22/89/88/574228988.db2.gz PJNSDTMKCQLFCI-QGZVFWFLSA-N 0 3 298.411 2.933 20 30 CFEDHN C=CCn1c(C)cc(C(=O)CON=C(N)CCC)c1C ZINC000729849879 574234053 /nfs/dbraw/zinc/23/40/53/574234053.db2.gz PVBKGXPZJQTYEF-UHFFFAOYSA-N 0 3 277.368 2.772 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2ccccc2F)CC1 ZINC000729942823 574239686 /nfs/dbraw/zinc/23/96/86/574239686.db2.gz TWQRFSLWHJLMFW-UHFFFAOYSA-N 0 3 293.411 2.763 20 30 CFEDHN C=C(C)[C@@H](CC(=O)C(C#N)c1nc(C)cs1)OCC ZINC000756504454 574242276 /nfs/dbraw/zinc/24/22/76/574242276.db2.gz OJTKFNPCJOJKHZ-DGCLKSJQSA-N 0 3 278.377 2.999 20 30 CFEDHN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1ccccn1 ZINC000733679358 574250987 /nfs/dbraw/zinc/25/09/87/574250987.db2.gz YJYULNWJFTYZIQ-XJKCOSOUSA-N 0 3 272.348 2.853 20 30 CFEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1ccc2ccccc2n1 ZINC000740527589 574253667 /nfs/dbraw/zinc/25/36/67/574253667.db2.gz HQDCCKUDUCQDLE-GXTWGEPZSA-N 0 3 280.327 2.838 20 30 CFEDHN CCCCCCCCN1CCCC[C@H]1C(=O)NC ZINC000740874950 574272460 /nfs/dbraw/zinc/27/24/60/574272460.db2.gz SREFCDSZBQUZDX-AWEZNQCLSA-N 0 3 254.418 2.947 20 30 CFEDHN C#CCSCCNCc1nccc2ccccc21 ZINC000740898758 574273839 /nfs/dbraw/zinc/27/38/39/574273839.db2.gz ZMAFOAWUQADHHA-UHFFFAOYSA-N 0 3 256.374 2.691 20 30 CFEDHN C=CCCCC(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000749029315 574277383 /nfs/dbraw/zinc/27/73/83/574277383.db2.gz ORDOOEIYQAQEFE-JTQLQIEISA-N 0 3 292.360 2.852 20 30 CFEDHN C[C@@H]1CC(=NNC(=S)Nc2ccc(F)cc2)CCN1C ZINC000741458339 574290795 /nfs/dbraw/zinc/29/07/95/574290795.db2.gz UDFHLKCBLIIQBL-SNVBAGLBSA-N 0 3 294.399 2.582 20 30 CFEDHN C[C@H]1CC(N=Nc2ncccc2C(F)(F)F)CCN1C ZINC000741460367 574291116 /nfs/dbraw/zinc/29/11/16/574291116.db2.gz OSCDXIVQXMZJBN-VIFPVBQESA-N 0 3 286.301 2.982 20 30 CFEDHN N#Cc1cccc(CNCCN2CCc3ccccc32)c1 ZINC000742718339 574291565 /nfs/dbraw/zinc/29/15/65/574291565.db2.gz OOXGMZFJWJPKCS-UHFFFAOYSA-N 0 3 277.371 2.711 20 30 CFEDHN C=CCN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(C)C ZINC000741777771 574302473 /nfs/dbraw/zinc/30/24/73/574302473.db2.gz RTOILDYCBHKYOZ-HNNXBMFYSA-N 0 3 274.364 2.908 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=S)N[C@H](C)CC)C(C)C ZINC000749767222 574308431 /nfs/dbraw/zinc/30/84/31/574308431.db2.gz ZECNFAGVWMFQPG-CABCVRRESA-N 0 3 297.512 2.948 20 30 CFEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000725803752 574311766 /nfs/dbraw/zinc/31/17/66/574311766.db2.gz OWOALSQHJRRIKT-NEPJUHHUSA-N 0 3 299.399 2.814 20 30 CFEDHN C=CCOc1cccc(CNCCOC2CCC2)c1 ZINC000742385849 574326753 /nfs/dbraw/zinc/32/67/53/574326753.db2.gz YLVCUGVNAUHVIB-UHFFFAOYSA-N 0 3 261.365 2.910 20 30 CFEDHN C=CCN(CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000742588499 574335894 /nfs/dbraw/zinc/33/58/94/574335894.db2.gz OJPSVBLXFBEFBY-UHFFFAOYSA-N 0 3 264.325 2.870 20 30 CFEDHN C#CCN(CC1(C)COC1)[C@H]1CCc2ccccc21 ZINC000735919530 574342985 /nfs/dbraw/zinc/34/29/85/574342985.db2.gz FEMCWZRPAVOBDN-INIZCTEOSA-N 0 3 255.361 2.646 20 30 CFEDHN Cc1ccc([C@@H]2CCC[C@H]2N(C)CC(=O)NCCC#N)cc1 ZINC000743858233 574374533 /nfs/dbraw/zinc/37/45/33/574374533.db2.gz VLJBNCHFDDKATQ-DLBZAZTESA-N 0 3 299.418 2.593 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000744021681 574375828 /nfs/dbraw/zinc/37/58/28/574375828.db2.gz CCRAQTVHKKXNIL-STQMWFEESA-N 0 3 290.363 2.707 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CCOC3)nc21 ZINC000751846658 574383693 /nfs/dbraw/zinc/38/36/93/574383693.db2.gz ZVUTXAPLNCPSCD-QWHCGFSZSA-N 0 3 297.358 2.864 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CCOC3)[nH]c21 ZINC000751846658 574383694 /nfs/dbraw/zinc/38/36/94/574383694.db2.gz ZVUTXAPLNCPSCD-QWHCGFSZSA-N 0 3 297.358 2.864 20 30 CFEDHN C#CCOCCN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000753762547 574409874 /nfs/dbraw/zinc/40/98/74/574409874.db2.gz VUDDJYVOHJXJLO-AWEZNQCLSA-N 0 3 261.365 2.774 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894588 608461855 /nfs/dbraw/zinc/46/18/55/608461855.db2.gz UNALPDIYKXYLFV-NWDGAFQWSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894588 608461857 /nfs/dbraw/zinc/46/18/57/608461857.db2.gz UNALPDIYKXYLFV-NWDGAFQWSA-N 0 3 271.368 2.872 20 30 CFEDHN CC[C@](C)(C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900465000 620679269 /nfs/dbraw/zinc/67/92/69/620679269.db2.gz XFZHZMDNRNJVFL-MRXNPFEDSA-N 0 3 284.363 2.713 20 30 CFEDHN C=C(C)C[NH+]1CCC(NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000833369326 605090773 /nfs/dbraw/zinc/09/07/73/605090773.db2.gz RHHALSRQWPNVGL-UHFFFAOYSA-N 0 3 288.391 2.515 20 30 CFEDHN C=CC1(CC(=O)[N-]OC2CC[NH+](C)CC2)CCCCC1 ZINC000935841994 649954541 /nfs/dbraw/zinc/95/45/41/649954541.db2.gz IOZPOIQQOMCSNO-UHFFFAOYSA-N 0 3 280.412 2.655 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819733968 606996414 /nfs/dbraw/zinc/99/64/14/606996414.db2.gz GHIOZZDYZCLLLA-AWEZNQCLSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819733968 606996416 /nfs/dbraw/zinc/99/64/16/606996416.db2.gz GHIOZZDYZCLLLA-AWEZNQCLSA-N 0 3 271.368 2.701 20 30 CFEDHN CCC[C@@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900611985 620694886 /nfs/dbraw/zinc/69/48/86/620694886.db2.gz JSDKHFIQMDZXMQ-CYBMUJFWSA-N 0 3 275.400 2.942 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCC=CCCC2)C1 ZINC000969954878 612994548 /nfs/dbraw/zinc/99/45/48/612994548.db2.gz 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30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2oc3ccccc3c2C)C1 ZINC000989756724 620391528 /nfs/dbraw/zinc/39/15/28/620391528.db2.gz YUAZQRIEJYHAFI-TZMCWYRMSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000989835264 620393678 /nfs/dbraw/zinc/39/36/78/620393678.db2.gz PTHMBQXGQRFRLD-ZFWWWQNUSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000989841216 620394872 /nfs/dbraw/zinc/39/48/72/620394872.db2.gz DAGFJZDVQKGGRR-UONOGXRCSA-N 0 3 296.370 2.567 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccccc3F)CCC[C@H]12 ZINC000989903251 620399530 /nfs/dbraw/zinc/39/95/30/620399530.db2.gz LJYOVLJTEOJSBV-RDJZCZTQSA-N 0 3 288.366 2.739 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989923251 620402243 /nfs/dbraw/zinc/40/22/43/620402243.db2.gz VLFQHUSQIXVUOD-MJGOQNOKSA-N 0 3 296.414 2.745 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989921583 620402435 /nfs/dbraw/zinc/40/24/35/620402435.db2.gz IMPMLRQQKKYISS-WMZOPIPTSA-N 0 3 284.403 2.908 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989928508 620403782 /nfs/dbraw/zinc/40/37/82/620403782.db2.gz IFWPVODUMBVRPI-FUHWJXTLSA-N 0 3 284.403 2.908 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@@H]12 ZINC000989944846 620404122 /nfs/dbraw/zinc/40/41/22/620404122.db2.gz GSWDMHDNXZKVRB-ZMSDIMECSA-N 0 3 274.408 2.642 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3occc3C)CCC[C@H]12 ZINC000989951404 620405210 /nfs/dbraw/zinc/40/52/10/620405210.db2.gz NDABKIDBUIPPHF-BBRMVZONSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3oc(C)cc3C)CCC[C@H]12 ZINC000990119679 620409610 /nfs/dbraw/zinc/40/96/10/620409610.db2.gz DPLLPDFTSIQTPY-YOEHRIQHSA-N 0 3 288.391 2.809 20 30 CFEDHN C=CC(C)(C)NCc1cnn(Cc2ccccc2)c1 ZINC000898457455 620466945 /nfs/dbraw/zinc/46/69/45/620466945.db2.gz OFGVBGCCODONRH-UHFFFAOYSA-N 0 3 255.365 2.986 20 30 CFEDHN CC[C@H](NC[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000902763108 621162813 /nfs/dbraw/zinc/16/28/13/621162813.db2.gz TUNINZWXRAIXAQ-NWDGAFQWSA-N 0 3 272.270 2.522 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163172218 625468804 /nfs/dbraw/zinc/46/88/04/625468804.db2.gz PNUVDICRJFXAHE-TUAOUCFPSA-N 0 3 274.202 2.520 20 30 CFEDHN C[C@@H](NCCN1CCc2ccccc21)c1cc(C#N)ccn1 ZINC000902775972 621171101 /nfs/dbraw/zinc/17/11/01/621171101.db2.gz IILCFMGKLFWKRK-CQSZACIVSA-N 0 3 292.386 2.667 20 30 CFEDHN C[C@@H](NCCc1ccccc1O)c1cc(C#N)ccn1 ZINC000902786616 621176171 /nfs/dbraw/zinc/17/61/71/621176171.db2.gz QOIDNLYGPASWNS-GFCCVEGCSA-N 0 3 267.332 2.552 20 30 CFEDHN CO[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902825649 621182469 /nfs/dbraw/zinc/18/24/69/621182469.db2.gz APMQZEWIBYYWJD-FZMZJTMJSA-N 0 3 261.369 2.665 20 30 CFEDHN CO[C@]1(C)C[C@@H](N[C@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902827384 621182876 /nfs/dbraw/zinc/18/28/76/621182876.db2.gz KNTLCBKJVBRKJF-DJSGYFEHSA-N 0 3 273.380 2.807 20 30 CFEDHN CO[C@]1(C)C[C@H](N[C@@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902827385 621183171 /nfs/dbraw/zinc/18/31/71/621183171.db2.gz KNTLCBKJVBRKJF-HZUKXOBISA-N 0 3 273.380 2.807 20 30 CFEDHN COC[C@H](Cc1ccccc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902830865 621186612 /nfs/dbraw/zinc/18/66/12/621186612.db2.gz SGHULHOJJLYGJN-PBHICJAKSA-N 0 3 295.386 2.862 20 30 CFEDHN C[C@@H](NCCc1ccc(Cl)nc1)c1cc(C#N)ccn1 ZINC000902840791 621189205 /nfs/dbraw/zinc/18/92/05/621189205.db2.gz HBBNHHJRDFGUJL-LLVKDONJSA-N 0 3 286.766 2.895 20 30 CFEDHN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)c1cc(C#N)ccn1 ZINC000902869485 621192336 /nfs/dbraw/zinc/19/23/36/621192336.db2.gz XLBODRHUSCFRNL-SUNYJGFJSA-N 0 3 295.386 2.768 20 30 CFEDHN C=C(Cl)CN[C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902871388 621193413 /nfs/dbraw/zinc/19/34/13/621193413.db2.gz NGQVNNZUBGQKNK-AAEUAGOBSA-N 0 3 251.757 2.968 20 30 CFEDHN C=C(Cl)CN[C@H](C)[C@H]1COc2ccccc2C1 ZINC000902871389 621193575 /nfs/dbraw/zinc/19/35/75/621193575.db2.gz NGQVNNZUBGQKNK-DGCLKSJQSA-N 0 3 251.757 2.968 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902889052 621200495 /nfs/dbraw/zinc/20/04/95/621200495.db2.gz ACRPEJFLJAOMKS-SJKOYZFVSA-N 0 3 299.349 2.651 20 30 CFEDHN CC[C@H](NCc1cnn(C)c1C)c1cccc(C#N)c1 ZINC000902890227 621200510 /nfs/dbraw/zinc/20/05/10/621200510.db2.gz XTYDALJIMZILKV-INIZCTEOSA-N 0 3 268.364 2.841 20 30 CFEDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cc(C#N)ccn1 ZINC000902941775 621207011 /nfs/dbraw/zinc/20/70/11/621207011.db2.gz HYUVOJMMANUFGK-SMDDNHRTSA-N 0 3 273.380 2.950 20 30 CFEDHN Cc1ccc(C[C@@H](CO)N[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902967575 621211115 /nfs/dbraw/zinc/21/11/15/621211115.db2.gz WCTNSOACYVMAHO-YOEHRIQHSA-N 0 3 295.386 2.516 20 30 CFEDHN C[C@@H](NC[C@@H]1CCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000902962698 621215357 /nfs/dbraw/zinc/21/53/57/621215357.db2.gz KASKBNAZYCIVGX-YPMHNXCESA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@@H](NC[C@H]1COc2ccccc21)c1cc(C#N)ccn1 ZINC000902994739 621220503 /nfs/dbraw/zinc/22/05/03/621220503.db2.gz RNYMTIZYADPPGC-OCCSQVGLSA-N 0 3 279.343 2.780 20 30 CFEDHN C[C@@H](NC[C@](C)(O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902970798 621220547 /nfs/dbraw/zinc/22/05/47/621220547.db2.gz OQMISSHYHLXTIA-DYVFJYSZSA-N 0 3 287.407 2.935 20 30 CFEDHN CC[C@H](C)[C@H](CN[C@@H](C)c1cc(C#N)ccn1)OC ZINC000903005017 621227499 /nfs/dbraw/zinc/22/74/99/621227499.db2.gz MDPBVVXNZMUHMH-HUBLWGQQSA-N 0 3 261.369 2.665 20 30 CFEDHN C[C@H](NCC1(C#N)CCC1)[C@@H]1COc2ccccc2C1 ZINC000903036015 621230949 /nfs/dbraw/zinc/23/09/49/621230949.db2.gz ZDOFBSFNAJJUBO-ZFWWWQNUSA-N 0 3 270.376 2.910 20 30 CFEDHN C[C@@H](N[C@@H](C)Cc1ccccn1)c1cc(C#N)ccn1 ZINC000903043602 621232908 /nfs/dbraw/zinc/23/29/08/621232908.db2.gz DCWYGFNZSJCDAL-QWHCGFSZSA-N 0 3 266.348 2.630 20 30 CFEDHN C[C@H](Cc1ccccn1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903043601 621232982 /nfs/dbraw/zinc/23/29/82/621232982.db2.gz DCWYGFNZSJCDAL-OLZOCXBDSA-N 0 3 266.348 2.630 20 30 CFEDHN C[C@@H](NCCC1SCCS1)c1cc(C#N)ccn1 ZINC000903056535 621235678 /nfs/dbraw/zinc/23/56/78/621235678.db2.gz QFUYISUZFXYJMX-SNVBAGLBSA-N 0 3 279.434 2.800 20 30 CFEDHN CC[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cccc(C#N)c1 ZINC000903043985 621239769 /nfs/dbraw/zinc/23/97/69/621239769.db2.gz IHHIEJVWJLDCDQ-JKSUJKDBSA-N 0 3 299.374 2.582 20 30 CFEDHN C[C@@H](N[C@@H]1COc2cc(F)ccc2C1)c1cc(C#N)ccn1 ZINC000903051844 621242521 /nfs/dbraw/zinc/24/25/21/621242521.db2.gz YNPINZZOCPYQQV-ABAIWWIYSA-N 0 3 297.333 2.747 20 30 CFEDHN C[C@H](N[C@H]1COc2cc(F)ccc2C1)c1cc(C#N)ccn1 ZINC000903051847 621242582 /nfs/dbraw/zinc/24/25/82/621242582.db2.gz YNPINZZOCPYQQV-XHDPSFHLSA-N 0 3 297.333 2.747 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903109674 621256533 /nfs/dbraw/zinc/25/65/33/621256533.db2.gz HOBYVXBWUGWHMB-UWVGGRQHSA-N 0 3 250.298 2.829 20 30 CFEDHN C[C@H](NC[C@H]1CCC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903092705 621257445 /nfs/dbraw/zinc/25/74/45/621257445.db2.gz DNSYAQIRVJBFSS-DZGCQCFKSA-N 0 3 285.391 2.953 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1 ZINC000903095228 621258599 /nfs/dbraw/zinc/25/85/99/621258599.db2.gz SWPQICPUEHOWQL-SJORKVTESA-N 0 3 297.402 2.610 20 30 CFEDHN C[C@@H](NC[C@](C)(O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903309594 621326772 /nfs/dbraw/zinc/32/67/72/621326772.db2.gz VWGJOELIEGMDFG-PXAZEXFGSA-N 0 3 299.349 2.651 20 30 CFEDHN CC[C@H](N[C@@H]1CCCN(CC)C1=O)c1ccc(C#N)cc1 ZINC000903387676 621359109 /nfs/dbraw/zinc/35/91/09/621359109.db2.gz IDYYPSQXXJFXNG-JKSUJKDBSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@@H](NCC[C@@H](O)C1CC1)c1ccc(C#N)cc1F ZINC000903407287 621362294 /nfs/dbraw/zinc/36/22/94/621362294.db2.gz NLVUBRNCULFCFZ-MEBBXXQBSA-N 0 3 262.328 2.509 20 30 CFEDHN C=CCCc1noc(C[C@@H](N)c2ccccc2OCC)n1 ZINC000904732916 621633873 /nfs/dbraw/zinc/63/38/73/621633873.db2.gz GELFKDRPOGOPMI-CYBMUJFWSA-N 0 3 287.363 2.829 20 30 CFEDHN CC(C)Oc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080463 621691078 /nfs/dbraw/zinc/69/10/78/621691078.db2.gz LARLGAGKMMLJFT-GYBQTFJISA-N 0 3 283.331 2.906 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905081499 621691397 /nfs/dbraw/zinc/69/13/97/621691397.db2.gz RGZQVNGNUKCDBB-BZPKPHBRSA-N 0 3 299.330 2.526 20 30 CFEDHN CC1/C(=C/c2cccc(C3CC3)c2)C(=O)c2ncnn21 ZINC000905083462 621691906 /nfs/dbraw/zinc/69/19/06/621691906.db2.gz DKMOCUSINKGJOY-WULZRQGASA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C\c2cccc(OC3CC3)c2F)C(=O)c2ncnn21 ZINC000905085090 621692173 /nfs/dbraw/zinc/69/21/73/621692173.db2.gz MAXIODNWNDBJOR-SZJBZFAYSA-N 0 3 299.305 2.799 20 30 CFEDHN CSc1ccc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905086955 621692676 /nfs/dbraw/zinc/69/26/76/621692676.db2.gz UWKOENGCJVCGNX-WVXOVRIESA-N 0 3 277.374 2.902 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905087664 621693191 /nfs/dbraw/zinc/69/31/91/621693191.db2.gz YKTAQTZOCWJMED-KSSSLANASA-N 0 3 283.331 2.826 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000924803903 621785205 /nfs/dbraw/zinc/78/52/05/621785205.db2.gz CJLWXBJNQDXMSE-ZIAGYGMSSA-N 0 3 285.391 2.710 20 30 CFEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCCc3cccnc32)cc1 ZINC000905602980 621795711 /nfs/dbraw/zinc/79/57/11/621795711.db2.gz UUTYLZQNWDBFQW-IAGOWNOFSA-N 0 3 293.370 2.654 20 30 CFEDHN CCC[C@@H](C)CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905777836 621846102 /nfs/dbraw/zinc/84/61/02/621846102.db2.gz PSUMWTMPYCZOMA-DOMZBBRYSA-N 0 3 273.380 2.501 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@H]1CCCC1(F)F ZINC000905779876 621846829 /nfs/dbraw/zinc/84/68/29/621846829.db2.gz DUQRNFLPDOYSAN-VXGBXAGGSA-N 0 3 255.312 2.845 20 30 CFEDHN C[C@]1(CNC[C@H](C#N)CCC#N)CCOC2(CCC2)C1 ZINC000905842672 621874403 /nfs/dbraw/zinc/87/44/03/621874403.db2.gz CSYCVGTUJXIDJE-GJZGRUSLSA-N 0 3 275.396 2.759 20 30 CFEDHN C[C@@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(C#N)cc1 ZINC000905966681 621906645 /nfs/dbraw/zinc/90/66/45/621906645.db2.gz QGFXHBCJMYIJIC-CQSZACIVSA-N 0 3 299.418 3.000 20 30 CFEDHN CC#Cc1cccc(-c2cnc([C@@H]3CCCN3)nc2)c1 ZINC000906158414 621935983 /nfs/dbraw/zinc/93/59/83/621935983.db2.gz MOSKVFSQPNUTSL-INIZCTEOSA-N 0 3 263.344 2.940 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001015869576 625549970 /nfs/dbraw/zinc/54/99/70/625549970.db2.gz XMWRCJGYPDIYRI-ZIAGYGMSSA-N 0 3 290.382 2.696 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC000908437981 622230473 /nfs/dbraw/zinc/23/04/73/622230473.db2.gz WEJUNYFRZFSRPK-KRWDZBQOSA-N 0 3 298.430 2.568 20 30 CFEDHN CN1CCN(C(=O)CCCCC#N)CC12CCCCC2 ZINC000908574167 622247485 /nfs/dbraw/zinc/24/74/85/622247485.db2.gz DKYUJPORIVSYQW-UHFFFAOYSA-N 0 3 277.412 2.547 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000924829022 622405623 /nfs/dbraw/zinc/40/56/23/622405623.db2.gz QVQKGCBXLZNRTM-KBPBESRZSA-N 0 3 287.407 2.609 20 30 CFEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)C(=O)NCc1ccccc1 ZINC000924829026 622406161 /nfs/dbraw/zinc/40/61/61/622406161.db2.gz QVQKGCBXLZNRTM-UONOGXRCSA-N 0 3 287.407 2.609 20 30 CFEDHN C=CCC1(C(=O)N2CCCN(CC)C[C@H]2C)CCC1 ZINC000910280871 622424315 /nfs/dbraw/zinc/42/43/15/622424315.db2.gz TYULSOWUTFGBLG-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991331719 622522918 /nfs/dbraw/zinc/52/29/18/622522918.db2.gz NXAKMIDKJXTOMV-YSVLISHTSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)ccc1F ZINC000911956642 622595681 /nfs/dbraw/zinc/59/56/81/622595681.db2.gz IZYXLNMGUBFISF-LBPRGKRZSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CC[C@@H](NC(=O)CN(C)CC(C)(C)C)c1ccncc1 ZINC000820018588 622598551 /nfs/dbraw/zinc/59/85/51/622598551.db2.gz SWBXPBPXCQLEOF-OAHLLOKOSA-N 0 3 289.423 2.793 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)Nc1cc(C)nn1C ZINC000911992527 622604195 /nfs/dbraw/zinc/60/41/95/622604195.db2.gz NZQSRODKHYTISW-ZDUSSCGKSA-N 0 3 280.416 2.745 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1C ZINC000912006875 622607359 /nfs/dbraw/zinc/60/73/59/622607359.db2.gz WVIASSJZVBHUFB-OAHLLOKOSA-N 0 3 260.381 2.637 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1nc2ccccc2s1 ZINC000912055031 622613440 /nfs/dbraw/zinc/61/34/40/622613440.db2.gz AIKCJANGUARRSO-LLVKDONJSA-N 0 3 289.404 2.596 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCCOC1CCCCC1 ZINC000912115510 622631218 /nfs/dbraw/zinc/63/12/18/622631218.db2.gz MJGSDTKAGYCVNN-OAHLLOKOSA-N 0 3 282.428 2.526 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000912172175 622656728 /nfs/dbraw/zinc/65/67/28/622656728.db2.gz SJHYGSOWRLHSNI-GXTWGEPZSA-N 0 3 278.421 2.999 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)CC1CCCCC1 ZINC000912229644 622665368 /nfs/dbraw/zinc/66/53/68/622665368.db2.gz HSUMGNMWVJSBDI-AWEZNQCLSA-N 0 3 252.402 2.709 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc2[nH]ccc21 ZINC000912249182 622672696 /nfs/dbraw/zinc/67/26/96/622672696.db2.gz WVHKIEYJVLNKLE-GFCCVEGCSA-N 0 3 257.337 2.790 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(COCC)cc1 ZINC000912351299 622692562 /nfs/dbraw/zinc/69/25/62/622692562.db2.gz OQMROIVJDBVQIY-MRXNPFEDSA-N 0 3 290.407 2.523 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)Cc1ccccc1F ZINC000912410616 622708749 /nfs/dbraw/zinc/70/87/49/622708749.db2.gz TYAYTRRDGRTGGY-IUODEOHRSA-N 0 3 278.371 2.557 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CCC(C)C)C1CC1 ZINC000912484527 622729160 /nfs/dbraw/zinc/72/91/60/622729160.db2.gz JMEFZGAFYGSXPY-CQSZACIVSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC)CCc1cccs1 ZINC000912497646 622729248 /nfs/dbraw/zinc/72/92/48/622729248.db2.gz FSVRKVWGANYZLR-CQSZACIVSA-N 0 3 280.437 2.823 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912923120 622798273 /nfs/dbraw/zinc/79/82/73/622798273.db2.gz ZTTHBSGYMNKHRP-CQSZACIVSA-N 0 3 252.402 2.654 20 30 CFEDHN C=CCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913105518 622835144 /nfs/dbraw/zinc/83/51/44/622835144.db2.gz ZFFZOIWXFWCTNY-WBVHZDCISA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913105517 622836449 /nfs/dbraw/zinc/83/64/49/622836449.db2.gz ZFFZOIWXFWCTNY-RDJZCZTQSA-N 0 3 286.419 2.979 20 30 CFEDHN CC(C)C#CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913097344 622836467 /nfs/dbraw/zinc/83/64/67/622836467.db2.gz LPESOPHRUCPSDR-WMZOPIPTSA-N 0 3 298.430 2.673 20 30 CFEDHN CS[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156329497 622933883 /nfs/dbraw/zinc/93/38/83/622933883.db2.gz PLQFPXCCVIKJST-AAEUAGOBSA-N 0 3 290.388 2.784 20 30 CFEDHN COc1ccc(CN[C@@H](C)CC(F)(F)F)cc1C#N ZINC000222337533 622955194 /nfs/dbraw/zinc/95/51/94/622955194.db2.gz USFVLEPJOPRSHG-VIFPVBQESA-N 0 3 272.270 2.997 20 30 CFEDHN COc1ccc(CN[C@H](C)CC(F)(F)F)cc1C#N ZINC000222337569 622955488 /nfs/dbraw/zinc/95/54/88/622955488.db2.gz USFVLEPJOPRSHG-SECBINFHSA-N 0 3 272.270 2.997 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC000877012958 623011086 /nfs/dbraw/zinc/01/10/86/623011086.db2.gz HLAWEKYHHKBCJX-SNVBAGLBSA-N 0 3 273.138 2.981 20 30 CFEDHN CCCCCCCN[C@@](C)(C(N)=O)c1ccccc1 ZINC000157695616 623055339 /nfs/dbraw/zinc/05/53/39/623055339.db2.gz VFUFDIVDWRFPIN-MRXNPFEDSA-N 0 3 262.397 2.947 20 30 CFEDHN C#CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228485159 623145974 /nfs/dbraw/zinc/14/59/74/623145974.db2.gz GEJRUOLFNQAZGQ-UHFFFAOYSA-N 0 3 255.277 2.887 20 30 CFEDHN C=CC1(CC(=O)N[C@@H]2CCN(CC)C2)CCCCC1 ZINC000822787252 623175014 /nfs/dbraw/zinc/17/50/14/623175014.db2.gz FWTLHPTWCZTWGX-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN Cc1nc(C)c(CNCc2ccc(OCC#N)cc2)s1 ZINC000172339912 623277016 /nfs/dbraw/zinc/27/70/16/623277016.db2.gz PJOXFXIYKWADIM-UHFFFAOYSA-N 0 3 287.388 2.952 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966514 623377749 /nfs/dbraw/zinc/37/77/49/623377749.db2.gz RBBWEMOZPMFRKS-WCQYABFASA-N 0 3 258.321 2.770 20 30 CFEDHN C#CCCCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000174273224 623408403 /nfs/dbraw/zinc/40/84/03/623408403.db2.gz PXHHDZRTTAKXAS-INIZCTEOSA-N 0 3 272.392 2.599 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992119621 623460001 /nfs/dbraw/zinc/46/00/01/623460001.db2.gz OORRVFORBNBURQ-RDJZCZTQSA-N 0 3 288.391 2.891 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)co3)CCC[C@@H]12 ZINC000992133915 623464581 /nfs/dbraw/zinc/46/45/81/623464581.db2.gz VTDFMVTUIWVVMW-WBVHZDCISA-N 0 3 288.391 2.891 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@@H]12 ZINC000992426725 623549522 /nfs/dbraw/zinc/54/95/22/623549522.db2.gz UHCWBBGTVOJTMO-KONPQCLYSA-N 0 3 288.435 2.559 20 30 CFEDHN CC[C@@H]1CCC[C@@H](CN2CCC(C#N)(C(=O)OC)CC2)C1 ZINC000824871152 623581851 /nfs/dbraw/zinc/58/18/51/623581851.db2.gz CCKMTSFBTIWBES-HUUCEWRRSA-N 0 3 292.423 2.982 20 30 CFEDHN COC(=O)C1(C#N)CCN(C[C@H]2CCC[C@H](C)C2)CC1 ZINC000824872229 623582607 /nfs/dbraw/zinc/58/26/07/623582607.db2.gz PUMWLDBEMWPOBZ-KBPBESRZSA-N 0 3 278.396 2.591 20 30 CFEDHN C#C[C@H](NCc1ccc(C(=O)OC)c(Cl)c1)C(C)C ZINC000825878130 623764903 /nfs/dbraw/zinc/76/49/03/623764903.db2.gz CAGBXKNOIOAOFJ-AWEZNQCLSA-N 0 3 279.767 2.874 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992988259 623830595 /nfs/dbraw/zinc/83/05/95/623830595.db2.gz XBCONILFQXVWOE-NVXWUHKLSA-N 0 3 284.403 2.601 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993024732 623851302 /nfs/dbraw/zinc/85/13/02/623851302.db2.gz PGRXCBAUVKQRMV-WCQYABFASA-N 0 3 295.814 2.827 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000826861211 623896141 /nfs/dbraw/zinc/89/61/41/623896141.db2.gz BZBCVQLVEJJSQQ-HNNXBMFYSA-N 0 3 268.360 2.824 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993181980 623987888 /nfs/dbraw/zinc/98/78/88/623987888.db2.gz DCHNDWVURCWKOT-DZGCQCFKSA-N 0 3 262.397 2.642 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993183113 623988570 /nfs/dbraw/zinc/98/85/70/623988570.db2.gz KZQJEDUACUCBTD-KGLIPLIRSA-N 0 3 290.451 2.661 20 30 CFEDHN C#C[C@@H](NCc1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000827569840 624034868 /nfs/dbraw/zinc/03/48/68/624034868.db2.gz GZCUXNLEVUJYAJ-CQSZACIVSA-N 0 3 283.293 2.622 20 30 CFEDHN C#C[C@@H](NCc1nccc2ccccc21)C1CCOCC1 ZINC000827570800 624036761 /nfs/dbraw/zinc/03/67/61/624036761.db2.gz QYJLZFLINZKGDZ-QGZVFWFLSA-N 0 3 280.371 2.753 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OC)c(OCC)c1 ZINC000827818510 624100726 /nfs/dbraw/zinc/10/07/26/624100726.db2.gz RWEBJRFIRWERSH-UHFFFAOYSA-N 0 3 291.391 2.566 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2cccc(OC)c2o1 ZINC000827817921 624100793 /nfs/dbraw/zinc/10/07/93/624100793.db2.gz LFYMFPUWOSKDHK-UHFFFAOYSA-N 0 3 287.359 2.913 20 30 CFEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000827822972 624102584 /nfs/dbraw/zinc/10/25/84/624102584.db2.gz ILHZXYZGGILIQG-UHFFFAOYSA-N 0 3 297.402 2.857 20 30 CFEDHN C#CCCN(CCOC)Cc1coc2ccccc12 ZINC000827823628 624103726 /nfs/dbraw/zinc/10/37/26/624103726.db2.gz RQPQFCOJQFQMMG-UHFFFAOYSA-N 0 3 257.333 2.905 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@@H]2C)cc1 ZINC000993663676 624156832 /nfs/dbraw/zinc/15/68/32/624156832.db2.gz CWMZFPFDDSJUNH-QAPCUYQASA-N 0 3 296.414 2.827 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1C ZINC000993758570 624164630 /nfs/dbraw/zinc/16/46/30/624164630.db2.gz APECNPXEQSYGFC-VXGBXAGGSA-N 0 3 295.814 2.827 20 30 CFEDHN CCCCNN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000915966475 624194727 /nfs/dbraw/zinc/19/47/27/624194727.db2.gz TXSQQTWKDGTDKR-UHFFFAOYSA-N 0 3 275.396 2.637 20 30 CFEDHN C=C(C)CN(C)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828198948 624199472 /nfs/dbraw/zinc/19/94/72/624199472.db2.gz QLGVQMNKODPIAE-AWEZNQCLSA-N 0 3 266.385 2.648 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994298157 624275102 /nfs/dbraw/zinc/27/51/02/624275102.db2.gz QCHNIMZXTLTDRA-AEFFLSMTSA-N 0 3 298.430 2.909 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015737728 624276276 /nfs/dbraw/zinc/27/62/76/624276276.db2.gz QTKDZDFAUVPZQU-CYBMUJFWSA-N 0 3 283.375 2.548 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994352847 624278023 /nfs/dbraw/zinc/27/80/23/624278023.db2.gz OHJHHNNNXZVUPA-AEFFLSMTSA-N 0 3 298.430 2.909 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccccc2)nc(C)n1 ZINC000916880167 624290321 /nfs/dbraw/zinc/29/03/21/624290321.db2.gz MPJMLHZNQISNPI-WHLNPGIBSA-N 0 3 277.327 2.983 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2C)c1 ZINC000916894610 624291111 /nfs/dbraw/zinc/29/11/11/624291111.db2.gz ROPOZPLYSTWDOY-AWEZNQCLSA-N 0 3 298.298 2.558 20 30 CFEDHN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000916900210 624291147 /nfs/dbraw/zinc/29/11/47/624291147.db2.gz MDOSPYLJMPEWMI-LLVKDONJSA-N 0 3 280.274 2.769 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccn2CC)[C@@H]1C ZINC000994420821 624293705 /nfs/dbraw/zinc/29/37/05/624293705.db2.gz LCOPBKKPLZHYRJ-GJZGRUSLSA-N 0 3 289.423 2.667 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994438752 624295608 /nfs/dbraw/zinc/29/56/08/624295608.db2.gz QYARAEMJPBHMEB-WBVHZDCISA-N 0 3 288.435 2.725 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000828889143 624322001 /nfs/dbraw/zinc/32/20/01/624322001.db2.gz RPKLMLQBCZLAHX-VXGBXAGGSA-N 0 3 274.202 2.786 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000829769692 624528823 /nfs/dbraw/zinc/52/88/23/624528823.db2.gz ZRQXIWSLMNZZOE-VQHPVUNQSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000829769604 624529499 /nfs/dbraw/zinc/52/94/99/624529499.db2.gz XKQYCTGPOFKAIY-IRXDYDNUSA-N 0 3 298.430 2.941 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000829769690 624529572 /nfs/dbraw/zinc/52/95/72/624529572.db2.gz ZRQXIWSLMNZZOE-HZMVEIRTSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000829789315 624539510 /nfs/dbraw/zinc/53/95/10/624539510.db2.gz SBIKZTMMJBGUCE-CYBMUJFWSA-N 0 3 289.350 2.848 20 30 CFEDHN C#CC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000829805314 624547006 /nfs/dbraw/zinc/54/70/06/624547006.db2.gz RZDDKIVUFMVSFD-INIZCTEOSA-N 0 3 255.336 2.913 20 30 CFEDHN C=CC[C@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000829865281 624572031 /nfs/dbraw/zinc/57/20/31/624572031.db2.gz JQKSQYZHOBWVAI-CABZTGNLSA-N 0 3 281.787 2.514 20 30 CFEDHN C=CCCCN(C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000830081311 624617129 /nfs/dbraw/zinc/61/71/29/624617129.db2.gz LRXQUACFAJWVHL-CYBMUJFWSA-N 0 3 295.814 2.858 20 30 CFEDHN C#CCN(CC)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000920095234 624676930 /nfs/dbraw/zinc/67/69/30/624676930.db2.gz MDFWEFIKLHEEFU-INIZCTEOSA-N 0 3 289.419 2.679 20 30 CFEDHN C#CC1CCN(CCC(=O)c2ccc(OC)cc2)CC1 ZINC000830351367 624717988 /nfs/dbraw/zinc/71/79/88/624717988.db2.gz QLRVYCQRRNIXAO-UHFFFAOYSA-N 0 3 271.360 2.613 20 30 CFEDHN CC(C)NCc1cc(C#N)ccc1Br ZINC000921473795 624905264 /nfs/dbraw/zinc/90/52/64/624905264.db2.gz BTJCJJOWCJCPCH-UHFFFAOYSA-N 0 3 253.143 2.819 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)c1cccc(F)c1 ZINC000069067117 625048322 /nfs/dbraw/zinc/04/83/22/625048322.db2.gz INFXVAQJPGRHMY-QGZVFWFLSA-N 0 3 299.345 2.661 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1ccco1 ZINC000069911052 625244000 /nfs/dbraw/zinc/24/40/00/625244000.db2.gz KHPCSEDJZFTPRW-AWEZNQCLSA-N 0 3 290.363 2.618 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000185882471 625796738 /nfs/dbraw/zinc/79/67/38/625796738.db2.gz GHAOTFOHGLLQMA-UHFFFAOYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834894449 625912478 /nfs/dbraw/zinc/91/24/78/625912478.db2.gz SJQJSFRKCQHIPB-NFAWXSAZSA-N 0 3 259.349 2.703 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1csc(C)c1 ZINC000834966173 625936180 /nfs/dbraw/zinc/93/61/80/625936180.db2.gz LGRMQAKSWGCCCI-CHWSQXEVSA-N 0 3 276.409 2.641 20 30 CFEDHN COCCCON=C/C=C/c1ccc(N(C)C)cc1 ZINC000834979915 625943724 /nfs/dbraw/zinc/94/37/24/625943724.db2.gz PHQHVJJMHCZHEI-GJLVPKJOSA-N 0 3 262.353 2.805 20 30 CFEDHN CC1(C)OCC[C@@H]1NN=C1CCCC[C@H]1N1CCCCC1 ZINC000835017955 625964682 /nfs/dbraw/zinc/96/46/82/625964682.db2.gz SEAFSESTYDCRJQ-CVEARBPZSA-N 0 3 293.455 2.928 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NN[C@@H]2CCOC2(C)C)cc1 ZINC000835019821 625965639 /nfs/dbraw/zinc/96/56/39/625965639.db2.gz BRTQHSZDJQYHQN-MFAFIQCSSA-N 0 3 287.407 2.909 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)C2CC(C)(C)C2)CC1 ZINC000997575435 626008892 /nfs/dbraw/zinc/00/88/92/626008892.db2.gz HZWZOIFYPMAOGL-AWEZNQCLSA-N 0 3 290.451 2.663 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000997752483 626015054 /nfs/dbraw/zinc/01/50/54/626015054.db2.gz MWHATLMQJFBTEU-USXIJHARSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000997916848 626021284 /nfs/dbraw/zinc/02/12/84/626021284.db2.gz VANJGPGEHGLJJC-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997976104 626026035 /nfs/dbraw/zinc/02/60/35/626026035.db2.gz LUFGVWXCYACACX-QGZVFWFLSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC=CCCC2)CC1 ZINC000890052016 626033146 /nfs/dbraw/zinc/03/31/46/626033146.db2.gz ZIGFIGRFAPDJLE-MRXNPFEDSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000998138684 626033807 /nfs/dbraw/zinc/03/38/07/626033807.db2.gz DULCXVLCHMYFSB-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN Cc1noc(C)c1CCNCc1csc(C#N)c1 ZINC000921706505 626096013 /nfs/dbraw/zinc/09/60/13/626096013.db2.gz DNYARHLQJLHDTI-UHFFFAOYSA-N 0 3 261.350 2.557 20 30 CFEDHN C=CC[C@H](C)NCc1csc(-c2ccn(C)n2)n1 ZINC000921753313 626108678 /nfs/dbraw/zinc/10/86/78/626108678.db2.gz CDFBTNGWIXMFMN-JTQLQIEISA-N 0 3 262.382 2.598 20 30 CFEDHN CC(C)(C)C[C@H](O)CNCc1csc(C#N)c1 ZINC000921755508 626109132 /nfs/dbraw/zinc/10/91/32/626109132.db2.gz RMIOVMDKCYBJKG-NSHDSACASA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(CC)s2)CC1 ZINC001000918082 626135662 /nfs/dbraw/zinc/13/56/62/626135662.db2.gz OMAJOXUITSSHQM-UHFFFAOYSA-N 0 3 290.432 2.858 20 30 CFEDHN COC[C@H](Cc1ccccc1)NCc1csc(C#N)c1 ZINC000921812488 626137922 /nfs/dbraw/zinc/13/79/22/626137922.db2.gz QRLDBYUCVJTQPH-HNNXBMFYSA-N 0 3 286.400 2.967 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(F)c(C)c2)CC1 ZINC001001099403 626143512 /nfs/dbraw/zinc/14/35/12/626143512.db2.gz INHCJMFZZZDQML-UHFFFAOYSA-N 0 3 288.366 2.682 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001001099637 626143783 /nfs/dbraw/zinc/14/37/83/626143783.db2.gz KTACCHGMTFXVDY-HOCLYGCPSA-N 0 3 276.424 2.747 20 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CFEDHN CO[C@H](CNCc1csc(C#N)c1)CC(C)C ZINC000922190322 626237163 /nfs/dbraw/zinc/23/71/63/626237163.db2.gz JJLXXTPIRWWBBA-LBPRGKRZSA-N 0 3 252.383 2.770 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2occc2CC)CC1 ZINC001003571036 626239356 /nfs/dbraw/zinc/23/93/56/626239356.db2.gz UIKPLHBXAVYCFP-UHFFFAOYSA-N 0 3 276.380 2.612 20 30 CFEDHN N#Cc1cc(CNCC2SCCS2)cs1 ZINC000922262576 626255162 /nfs/dbraw/zinc/25/51/62/626255162.db2.gz XZSAWHUOLZRGID-UHFFFAOYSA-N 0 3 256.421 2.515 20 30 CFEDHN CCCn1cc(CNC(C)(C)Cc2ccc(C#N)cc2)nn1 ZINC000922604327 626323625 /nfs/dbraw/zinc/32/36/25/626323625.db2.gz SAHDJHDWWAELGG-UHFFFAOYSA-N 0 3 297.406 2.671 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)[C@@H]1CCO[C@H](C)C1 ZINC000851737485 634500635 /nfs/dbraw/zinc/50/06/35/634500635.db2.gz FQJOSNLTRLIANM-CZUORRHYSA-N 0 3 261.340 2.828 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2oc(C)cc2C)CC1 ZINC001005218129 626412773 /nfs/dbraw/zinc/41/27/73/626412773.db2.gz FSHLXQSUNORWCK-UHFFFAOYSA-N 0 3 276.380 2.619 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC001005250951 626413378 /nfs/dbraw/zinc/41/33/78/626413378.db2.gz IRDVICYLAPNDGU-UHFFFAOYSA-N 0 3 276.380 2.619 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(CC)o2)CC1 ZINC001005593867 626417924 /nfs/dbraw/zinc/41/79/24/626417924.db2.gz CKXHSXWAIVEERE-UHFFFAOYSA-N 0 3 290.407 2.955 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001005622228 626418547 /nfs/dbraw/zinc/41/85/47/626418547.db2.gz KKOOZGHBDNFYHI-YCPHGPKFSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001005626643 626418761 /nfs/dbraw/zinc/41/87/61/626418761.db2.gz WFHVIWKQGWAASP-RBSFLKMASA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001005830536 626429094 /nfs/dbraw/zinc/42/90/94/626429094.db2.gz PJDUXVWYRONHIF-OAHLLOKOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC001005846886 626436809 /nfs/dbraw/zinc/43/68/09/626436809.db2.gz FCYVDMOKQKYMLR-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2CC3(CCC3)C2)CC1 ZINC001005846778 626436923 /nfs/dbraw/zinc/43/69/23/626436923.db2.gz QETCIPRDFYWBAA-UHFFFAOYSA-N 0 3 276.424 2.676 20 30 CFEDHN N#C[C@@]1(C(=O)OCCN2CCCCC2)CC2CCC1CC2 ZINC000923261446 626460596 /nfs/dbraw/zinc/46/05/96/626460596.db2.gz POYAOILCONGIFY-DQPZFDDXSA-N 0 3 290.407 2.736 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001006231114 626480935 /nfs/dbraw/zinc/48/09/35/626480935.db2.gz YRGYDERGGJIMAC-SJORKVTESA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001006312657 626482884 /nfs/dbraw/zinc/48/28/84/626482884.db2.gz HPYBHMXLFLYYSW-SHTZXODSSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCN(C)CCCNC(=O)NC1(CC=C)CCCCC1 ZINC000838621752 626502032 /nfs/dbraw/zinc/50/20/32/626502032.db2.gz AMUXAYVEFQLAEI-UHFFFAOYSA-N 0 3 291.439 2.520 20 30 CFEDHN C#CCN(C)CCCNC(=O)N([C@@H](C)[C@H](C)CC)C1CC1 ZINC000838622323 626502134 /nfs/dbraw/zinc/50/21/34/626502134.db2.gz DFRUPFPRPKFEQW-CABCVRRESA-N 0 3 293.455 2.550 20 30 CFEDHN C=C(C)[C@H](NC[C@H](O)C1CC1)c1ccc(F)c(F)c1 ZINC000838936963 626516713 /nfs/dbraw/zinc/51/67/13/626516713.db2.gz WLTGFCHWYPAUCA-GJZGRUSLSA-N 0 3 267.319 2.943 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000839138032 626528315 /nfs/dbraw/zinc/52/83/15/626528315.db2.gz HNFVTOVAKDLNCN-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN Cc1ccnc(C2CCN([C@@H](C)CCC#N)CC2)n1 ZINC000839556138 626546317 /nfs/dbraw/zinc/54/63/17/626546317.db2.gz KHMRPKQKUFMWTH-ZDUSSCGKSA-N 0 3 258.369 2.657 20 30 CFEDHN C1CCN([C@@H]2CCCCC2=NNC2CCOCC2)CC1 ZINC000757589785 626556015 /nfs/dbraw/zinc/55/60/15/626556015.db2.gz IALLFZFERJVXSO-MRXNPFEDSA-N 0 3 279.428 2.540 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000758279557 626586822 /nfs/dbraw/zinc/58/68/22/626586822.db2.gz VZFAUZOVIGEPDS-CABCVRRESA-N 0 3 297.443 2.510 20 30 CFEDHN N#CC(C(=O)[C@H]1CC12CCC2)c1nc2ccccc2[nH]1 ZINC000759814662 626693075 /nfs/dbraw/zinc/69/30/75/626693075.db2.gz NLPKHAGCPRSJII-GHMZBOCLSA-N 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2.850 20 30 CFEDHN CCCCCCCCN1CCN2C(=O)OCC[C@H]2C1 ZINC000764426266 627060039 /nfs/dbraw/zinc/06/00/39/627060039.db2.gz RZZXLTMOPJVVSI-AWEZNQCLSA-N 0 3 268.401 2.873 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000767071356 627233577 /nfs/dbraw/zinc/23/35/77/627233577.db2.gz IMSDQYZOUKDVLN-NVXWUHKLSA-N 0 3 298.430 2.988 20 30 CFEDHN C#CCOCCN(C)[C@@H]1CCCc2nc(CC)sc21 ZINC000851855668 634559211 /nfs/dbraw/zinc/55/92/11/634559211.db2.gz SWRASBNJNGHDOL-CYBMUJFWSA-N 0 3 278.421 2.665 20 30 CFEDHN CC(C)N1CC(N=Nc2cc(C#N)cc(Cl)n2)[C@H](C)C1 ZINC000768376733 627338937 /nfs/dbraw/zinc/33/89/37/627338937.db2.gz UZZDWUQPROQIBT-SNVBAGLBSA-N 0 3 291.786 2.735 20 30 CFEDHN C=CCCCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445757 627344361 /nfs/dbraw/zinc/34/43/61/627344361.db2.gz IWMRVVBBKUDXOC-MRXNPFEDSA-N 0 3 291.391 2.996 20 30 CFEDHN C=CCCCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768445757 627344364 /nfs/dbraw/zinc/34/43/64/627344364.db2.gz IWMRVVBBKUDXOC-MRXNPFEDSA-N 0 3 291.391 2.996 20 30 CFEDHN C=CCN(Cc1cc2c(c(OC)c1)OCO2)C(C)C ZINC000768547130 627352357 /nfs/dbraw/zinc/35/23/57/627352357.db2.gz JCYWPCCBPHAZKE-UHFFFAOYSA-N 0 3 263.337 2.820 20 30 CFEDHN C#CCN(CC)CCOc1ccccc1Br ZINC000768721550 627367402 /nfs/dbraw/zinc/36/74/02/627367402.db2.gz IISFGEVAOCQRHC-UHFFFAOYSA-N 0 3 282.181 2.783 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000769311579 627422705 /nfs/dbraw/zinc/42/27/05/627422705.db2.gz NCXMHMVLYGNBTP-QGZVFWFLSA-N 0 3 295.386 2.732 20 30 CFEDHN C#CCOCCN1CC=C(c2ccc(OCC)cc2)CC1 ZINC000851887833 634573245 /nfs/dbraw/zinc/57/32/45/634573245.db2.gz VWWJEAOSVCQWNX-UHFFFAOYSA-N 0 3 285.387 2.824 20 30 CFEDHN C#CCOc1ccc(CN(C)CCOC(C)(C)C)cc1 ZINC000769517866 627450605 /nfs/dbraw/zinc/45/06/05/627450605.db2.gz YLGLAKKJJZLXQD-UHFFFAOYSA-N 0 3 275.392 2.946 20 30 CFEDHN C#CCCCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000769929274 627488825 /nfs/dbraw/zinc/48/88/25/627488825.db2.gz RMADYXFQWZGGAG-HNNXBMFYSA-N 0 3 274.383 2.918 20 30 CFEDHN C#C[C@@H](C)N(C)CCOc1ccccc1Br ZINC000769977272 627493777 /nfs/dbraw/zinc/49/37/77/627493777.db2.gz DEQJZIWCHGOOHK-LLVKDONJSA-N 0 3 282.181 2.781 20 30 CFEDHN C=CCC(CC=C)C(=O)OCCN1CCCCC1 ZINC000770394991 627518469 /nfs/dbraw/zinc/51/84/69/627518469.db2.gz CJKCJKBGGRVUEP-UHFFFAOYSA-N 0 3 251.370 2.784 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3c2OCCO3)C1 ZINC000774242671 627907634 /nfs/dbraw/zinc/90/76/34/627907634.db2.gz HUCBEMDYMJFBJX-TZMCWYRMSA-N 0 3 272.348 2.630 20 30 CFEDHN N#CCSCCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000805543256 628012613 /nfs/dbraw/zinc/01/26/13/628012613.db2.gz GLNSTAUPXJNHPX-AWEZNQCLSA-N 0 3 296.436 2.583 20 30 CFEDHN COc1ccc(O)c([C@@H](C)NCc2ccnc(C#N)c2)c1 ZINC000775371427 628016543 /nfs/dbraw/zinc/01/65/43/628016543.db2.gz OGXPIKLPSDXFPA-LLVKDONJSA-N 0 3 283.331 2.518 20 30 CFEDHN CC[C@@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000775389938 628018665 /nfs/dbraw/zinc/01/86/65/628018665.db2.gz ZVQNHMCNVIEKIW-MSOLQXFVSA-N 0 3 299.418 2.710 20 30 CFEDHN Cc1ccccc1[C@H](NCC(=O)NCCC#N)C(C)(C)C ZINC000775463374 628028364 /nfs/dbraw/zinc/02/83/64/628028364.db2.gz LBUPWMKKGOASMO-INIZCTEOSA-N 0 3 287.407 2.702 20 30 CFEDHN C#C[C@H](NC1CC(c2ccc(F)cc2)C1)[C@@H]1CCCO1 ZINC000775572230 628040633 /nfs/dbraw/zinc/04/06/33/628040633.db2.gz PTIQWEPQNCJLRR-KMZOKZLKSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](N[C@@H]1CCCc2cc(OC)ccc21)[C@@H]1CCCO1 ZINC000775573690 628041381 /nfs/dbraw/zinc/04/13/81/628041381.db2.gz JFPAHUGGUPUOEF-KSZLIROESA-N 0 3 285.387 2.843 20 30 CFEDHN CC[C@H](CN(CC)CC(=O)NCCC#N)c1ccccc1 ZINC000775896820 628081127 /nfs/dbraw/zinc/08/11/27/628081127.db2.gz UQCQSBKHOZYAGW-OAHLLOKOSA-N 0 3 287.407 2.532 20 30 CFEDHN N#CCCNC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776005672 628093428 /nfs/dbraw/zinc/09/34/28/628093428.db2.gz IKPBUYJXVJYTBJ-SFHVURJKSA-N 0 3 299.418 2.927 20 30 CFEDHN C=CCCOCCNCc1nccc2ccccc21 ZINC000776254135 628122754 /nfs/dbraw/zinc/12/27/54/628122754.db2.gz UGIMTOJCKICYCL-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN CC(CN1CCCCCC1)=NOCc1cccnc1 ZINC000777443551 628226623 /nfs/dbraw/zinc/22/66/23/628226623.db2.gz MIYHWYVUZIRGBF-UHFFFAOYSA-N 0 3 261.369 2.850 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000852098286 634652160 /nfs/dbraw/zinc/65/21/60/634652160.db2.gz IZYQVIDBIVWCRU-BBRMVZONSA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000852100074 634654256 /nfs/dbraw/zinc/65/42/56/634654256.db2.gz SXIXQQTYHQQWDO-BLLLJJGKSA-N 0 3 292.810 2.736 20 30 CFEDHN CN1CCc2cc(C=NN[C@H]3CCOC(C)(C)C3)ccc21 ZINC000780248681 628444962 /nfs/dbraw/zinc/44/49/62/628444962.db2.gz CUIJUEFNUQZZSN-HNNXBMFYSA-N 0 3 287.407 2.560 20 30 CFEDHN CCC(=NN[C@@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000780251727 628445811 /nfs/dbraw/zinc/44/58/11/628445811.db2.gz PILDFIFCHMEMDJ-CQSZACIVSA-N 0 3 275.396 2.635 20 30 CFEDHN CCCCCCN(C)CC(=O)N1CCC(C)(C#N)CC1 ZINC000780779830 628496667 /nfs/dbraw/zinc/49/66/67/628496667.db2.gz BVIHDCXOHZGJON-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN CC(C)(C)OC(=O)NC1(C)CCN(CCCC#N)CC1 ZINC000781973134 628594040 /nfs/dbraw/zinc/59/40/40/628594040.db2.gz AKSNMQIHNVALTR-UHFFFAOYSA-N 0 3 281.400 2.669 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCC[C@H](C)CC ZINC000784832117 628844339 /nfs/dbraw/zinc/84/43/39/628844339.db2.gz ZSMWGWJWSBZUHO-CHWSQXEVSA-N 0 3 264.369 2.604 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000787067996 628991032 /nfs/dbraw/zinc/99/10/32/628991032.db2.gz LKCURKWHDDYMAT-HUUCEWRRSA-N 0 3 296.370 2.544 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@H]1CCOC1 ZINC000788446819 629068359 /nfs/dbraw/zinc/06/83/59/629068359.db2.gz LCQDCJCLSSXTFV-ZNPGQUAESA-N 0 3 285.391 2.662 20 30 CFEDHN CC(=NN[C@@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000788458506 629070601 /nfs/dbraw/zinc/07/06/01/629070601.db2.gz YYMBKBWEHJNHEK-SFHVURJKSA-N 0 3 297.402 2.800 20 30 CFEDHN CC(C)[C@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805873437 629097921 /nfs/dbraw/zinc/09/79/21/629097921.db2.gz GPDOESJFSINQNN-INIZCTEOSA-N 0 3 286.375 2.987 20 30 CFEDHN Cc1ccc2c(c1)OCCCC2=N[N-]c1[nH+]ccn1C ZINC000790299553 629226725 /nfs/dbraw/zinc/22/67/25/629226725.db2.gz DUDHNXFYKWZCHQ-UHFFFAOYSA-N 0 3 270.336 2.717 20 30 CFEDHN Cn1ccnc1N=NC1CN(Cc2ccccc2)C(C)(C)C1 ZINC000790300111 629227279 /nfs/dbraw/zinc/22/72/79/629227279.db2.gz RNQALGUEUWGJGD-UHFFFAOYSA-N 0 3 297.406 2.873 20 30 CFEDHN COC1(CC(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000791783593 629357250 /nfs/dbraw/zinc/35/72/50/629357250.db2.gz NDGFWLXMZRYUEA-LLVKDONJSA-N 0 3 284.315 2.963 20 30 CFEDHN CC(C)CCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061419 629364369 /nfs/dbraw/zinc/36/43/69/629364369.db2.gz KVBJLKLQBXGSSI-HNNXBMFYSA-N 0 3 286.375 2.838 20 30 CFEDHN COC(=O)/C(C)=C/CNC(C)(C)c1cccc(C#N)c1 ZINC000852353914 634731392 /nfs/dbraw/zinc/73/13/92/634731392.db2.gz JHMDLWMHAVJXME-XYOKQWHBSA-N 0 3 272.348 2.502 20 30 CFEDHN C=CCN(CCOc1cccc(F)c1)[C@@H](C)COC ZINC000852357487 634732885 /nfs/dbraw/zinc/73/28/85/634732885.db2.gz DKDMFCAUTJQQGX-ZDUSSCGKSA-N 0 3 267.344 2.727 20 30 CFEDHN C=CCCCCC[C@@H](C)NCc1cc(C(N)=O)co1 ZINC000793556270 629571618 /nfs/dbraw/zinc/57/16/18/629571618.db2.gz FNOYQJLMANVIRP-GFCCVEGCSA-N 0 3 264.369 2.993 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000794578887 629663995 /nfs/dbraw/zinc/66/39/95/629663995.db2.gz MFEYYGOBYNYRBJ-ZDUSSCGKSA-N 0 3 269.747 2.856 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794667453 629672502 /nfs/dbraw/zinc/67/25/02/629672502.db2.gz IDYRIOKPEMEBPX-OTWHNJEPSA-N 0 3 297.398 2.988 20 30 CFEDHN CCOC1CC(C=Nn2cnnc2-c2ccccc2)C1 ZINC000794888274 629699542 /nfs/dbraw/zinc/69/95/42/629699542.db2.gz HKOCKJRNRJFPDH-UHFFFAOYSA-N 0 3 270.336 2.594 20 30 CFEDHN COCCN(C)N=Cc1ccccc1N1CCCCC1 ZINC000794969445 629712048 /nfs/dbraw/zinc/71/20/48/629712048.db2.gz FVYAWIQYLHLZES-UHFFFAOYSA-N 0 3 275.396 2.589 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NC(C)(C)C ZINC000795328865 629762054 /nfs/dbraw/zinc/76/20/54/629762054.db2.gz JKBTTWQSJBBJSY-ZBFHGGJFSA-N 0 3 286.419 2.514 20 30 CFEDHN C=CCC[C@H](NCC[S@@](=O)CC)c1ccco1 ZINC000796762382 629961860 /nfs/dbraw/zinc/96/18/60/629961860.db2.gz UPKROMOZKGJLBI-SJCJKPOMSA-N 0 3 255.383 2.645 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000797877975 630116040 /nfs/dbraw/zinc/11/60/40/630116040.db2.gz IFWZHADPWJWQPP-PBHICJAKSA-N 0 3 291.391 2.862 20 30 CFEDHN C=CCN1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852598999 634790207 /nfs/dbraw/zinc/79/02/07/634790207.db2.gz AKUHQTQLDFSMNQ-OLZOCXBDSA-N 0 3 268.401 2.798 20 30 CFEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103638830 630305505 /nfs/dbraw/zinc/30/55/05/630305505.db2.gz KMOUPKHQUOIDRS-IUODEOHRSA-N 0 3 284.359 2.558 20 30 CFEDHN N#Cc1ccccc1/C=C\C(=O)OCCN1CCCCC1 ZINC000799645159 630327838 /nfs/dbraw/zinc/32/78/38/630327838.db2.gz TVBCCUQDBNWTCN-HJWRWDBZSA-N 0 3 284.359 2.601 20 30 CFEDHN C#C[C@H](NC/C(C)=C\c1ccccc1)[C@H]1CCCO1 ZINC000800264899 630364490 /nfs/dbraw/zinc/36/44/90/630364490.db2.gz LGXKKWMGXVSFKI-LMAMMIIJSA-N 0 3 255.361 2.860 20 30 CFEDHN COc1ccc([C@@H]2CCCN2CCO[C@@H](C)C#N)cc1 ZINC000801911564 630485074 /nfs/dbraw/zinc/48/50/74/630485074.db2.gz MOGZHXCZRKVIDS-BBRMVZONSA-N 0 3 274.364 2.761 20 30 CFEDHN C[C@@H](C#N)OCCN(C)Cc1ccc(OC(F)F)cc1 ZINC000801910572 630485299 /nfs/dbraw/zinc/48/52/99/630485299.db2.gz VDBDFWQYGMUNRU-NSHDSACASA-N 0 3 284.306 2.648 20 30 CFEDHN CC[C@@H](NCCO[C@@H](C)C#N)c1ccccc1OC ZINC000801938059 630492202 /nfs/dbraw/zinc/49/22/02/630492202.db2.gz YFDHJRWAGRKDIR-GXTWGEPZSA-N 0 3 262.353 2.665 20 30 CFEDHN CCCC[N@H+](CCO[C@@H](C)C#N)Cc1ccccc1[O-] ZINC000801954638 630495159 /nfs/dbraw/zinc/49/51/59/630495159.db2.gz KPOIDZIBIUUSPO-AWEZNQCLSA-N 0 3 276.380 2.923 20 30 CFEDHN CCCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1[O-] ZINC000801954638 630495160 /nfs/dbraw/zinc/49/51/60/630495160.db2.gz KPOIDZIBIUUSPO-AWEZNQCLSA-N 0 3 276.380 2.923 20 30 CFEDHN CC1=C(c2ccco2)CN(CCO[C@@H](C)C#N)CC1 ZINC000801954621 630495198 /nfs/dbraw/zinc/49/51/98/630495198.db2.gz KFUMBIDDEALKCB-ZDUSSCGKSA-N 0 3 260.337 2.687 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000852729211 634817282 /nfs/dbraw/zinc/81/72/82/634817282.db2.gz AIKNFVLDEAZAFX-HNNXBMFYSA-N 0 3 298.386 2.855 20 30 CFEDHN C=CCN1CCN(CN(C2CC2)C2CCCCC2)C1=O ZINC000839962445 630526063 /nfs/dbraw/zinc/52/60/63/630526063.db2.gz XOGKCLMFDOWTJX-UHFFFAOYSA-N 0 3 277.412 2.665 20 30 CFEDHN COC[C@H](NCCO[C@H](C)C#N)c1cccc(Cl)c1 ZINC000808798163 630533854 /nfs/dbraw/zinc/53/38/54/630533854.db2.gz JLCWYUWFCHQTAV-RISCZKNCSA-N 0 3 282.771 2.546 20 30 CFEDHN C#CCCN(CCOC)C[C@]1(C)CC1(Cl)Cl ZINC000852750463 634824465 /nfs/dbraw/zinc/82/44/65/634824465.db2.gz VWIHZGUNJIOUNF-NSHDSACASA-N 0 3 264.196 2.542 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc(OC(C)C)c1 ZINC000852751887 634825809 /nfs/dbraw/zinc/82/58/09/634825809.db2.gz NNMVLORVRKFDHG-UHFFFAOYSA-N 0 3 275.392 2.946 20 30 CFEDHN C#CCCN(CCOC)Cc1cc(F)cc2cccnc21 ZINC000852752190 634825846 /nfs/dbraw/zinc/82/58/46/634825846.db2.gz WLLWKAXHPIAFGN-UHFFFAOYSA-N 0 3 286.350 2.846 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000807441239 630886931 /nfs/dbraw/zinc/88/69/31/630886931.db2.gz DGLAFXOQWVPNBB-NEPJUHHUSA-N 0 3 299.802 2.761 20 30 CFEDHN COc1ccc(C[NH2+]Cc2ccc(C#N)cc2)c([O-])c1 ZINC000040906691 649987322 /nfs/dbraw/zinc/98/73/22/649987322.db2.gz RMEMMJCSZMOCHB-UHFFFAOYSA-N 0 3 268.316 2.562 20 30 CFEDHN CCN(CC)c1ccc(C=NN[C@H]2CCSC2)cc1 ZINC000808002499 630937454 /nfs/dbraw/zinc/93/74/54/630937454.db2.gz LZJZWSIZSCZSCN-AWEZNQCLSA-N 0 3 277.437 2.962 20 30 CFEDHN CN(C)CCN(C(=O)C#CC(C)(C)C)c1ccccc1 ZINC000837377698 631016329 /nfs/dbraw/zinc/01/63/29/631016329.db2.gz QHSWRYAACMAYCM-UHFFFAOYSA-N 0 3 272.392 2.631 20 30 CFEDHN C[C@H]1CCN(C(=O)C#CC2CC2)CCN1Cc1ccccc1 ZINC000837446305 631032650 /nfs/dbraw/zinc/03/26/50/631032650.db2.gz MSFTUUACJSROPA-INIZCTEOSA-N 0 3 296.414 2.523 20 30 CFEDHN CC1CC(C#N)(C(=O)OCCN(C)Cc2ccccc2)C1 ZINC000837582599 631075866 /nfs/dbraw/zinc/07/58/66/631075866.db2.gz YIOPSNQIOPSXRT-UHFFFAOYSA-N 0 3 286.375 2.601 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000809640573 631253594 /nfs/dbraw/zinc/25/35/94/631253594.db2.gz XGBUJJMOSXVPPE-QGZVFWFLSA-N 0 3 296.414 2.691 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000809683470 631261976 /nfs/dbraw/zinc/26/19/76/631261976.db2.gz CLEDQRILUWBBQN-OLZOCXBDSA-N 0 3 261.365 2.984 20 30 CFEDHN C#C[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)C(C)C ZINC000809685353 631262657 /nfs/dbraw/zinc/26/26/57/631262657.db2.gz PANCDOVKPZMQHG-MRXNPFEDSA-N 0 3 271.339 2.759 20 30 CFEDHN C#C[C@H]([NH2+]Cc1ccc(OCC)cc1[O-])C(C)(C)C ZINC000809781307 631288134 /nfs/dbraw/zinc/28/81/34/631288134.db2.gz OPUNWDLXIPSVIW-HNNXBMFYSA-N 0 3 261.365 2.928 20 30 CFEDHN C#CCSCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000810227596 631346085 /nfs/dbraw/zinc/34/60/85/631346085.db2.gz YOJFKZXWZWQNQB-AWEZNQCLSA-N 0 3 283.824 2.984 20 30 CFEDHN C[C@@H](O)CN(C)N=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000841653661 631444714 /nfs/dbraw/zinc/44/47/14/631444714.db2.gz PXQOUHUJPRPNKD-DMDHLCOLSA-N 0 3 287.407 2.596 20 30 CFEDHN C#C[C@H](C)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842311617 631586112 /nfs/dbraw/zinc/58/61/12/631586112.db2.gz VFQWOSZYALPESV-AWEZNQCLSA-N 0 3 271.360 2.851 20 30 CFEDHN CC[C@H](O)CNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000811653052 631594243 /nfs/dbraw/zinc/59/42/43/631594243.db2.gz FLESMSVGMHKYRF-YWWZSJOGSA-N 0 3 287.407 2.644 20 30 CFEDHN C(=NOCC1=CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000842648759 631692023 /nfs/dbraw/zinc/69/20/23/631692023.db2.gz MAUHWEIKDSKEQA-UHFFFAOYSA-N 0 3 286.375 2.984 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC000842687106 631707149 /nfs/dbraw/zinc/70/71/49/631707149.db2.gz UZCNYGIEXFHXRE-CQSZACIVSA-N 0 3 282.343 2.914 20 30 CFEDHN C=CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813102013 631838584 /nfs/dbraw/zinc/83/85/84/631838584.db2.gz MUYRWZALFHKUHX-DGCLKSJQSA-N 0 3 263.293 2.555 20 30 CFEDHN CC[C@@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211635 631881345 /nfs/dbraw/zinc/88/13/45/631881345.db2.gz NRCFBHVSLMCQOH-MWLCHTKSSA-N 0 3 286.253 2.702 20 30 CFEDHN CCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813221543 631883876 /nfs/dbraw/zinc/88/38/76/631883876.db2.gz UHUIMVYLONSJHB-SNVBAGLBSA-N 0 3 286.253 2.703 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cnc3ccc(C)cn23)C1 ZINC000843423337 631952115 /nfs/dbraw/zinc/95/21/15/631952115.db2.gz CISJJGVUCRGFEV-OAHLLOKOSA-N 0 3 267.376 2.878 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000843423460 631952199 /nfs/dbraw/zinc/95/21/99/631952199.db2.gz DWYCADYWHSUGFI-OAHLLOKOSA-N 0 3 282.391 2.581 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000843424392 631953786 /nfs/dbraw/zinc/95/37/86/631953786.db2.gz ZMUGGMNDAQYUNG-CQSZACIVSA-N 0 3 288.391 2.735 20 30 CFEDHN CC#CC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000813753104 631956014 /nfs/dbraw/zinc/95/60/14/631956014.db2.gz SRBDFNAOKDHXIX-QGZVFWFLSA-N 0 3 286.419 2.627 20 30 CFEDHN CCc1ccc(C#CC(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000814507254 632082283 /nfs/dbraw/zinc/08/22/83/632082283.db2.gz QRBUAEVNHUCPCH-MRXNPFEDSA-N 0 3 298.430 2.591 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cc(CN(C)[C@@H](C)C#C)cc(OC)c1 ZINC000814633614 632100415 /nfs/dbraw/zinc/10/04/15/632100415.db2.gz HLWOIIBKFQPAFA-HOTGVXAUSA-N 0 3 298.430 2.602 20 30 CFEDHN C=CCC(F)(F)C(=O)NCC(C)(C)N1CCCCC1 ZINC000814768881 632120685 /nfs/dbraw/zinc/12/06/85/632120685.db2.gz DGLSOSNZXNOASH-UHFFFAOYSA-N 0 3 274.355 2.579 20 30 CFEDHN C=CCOCCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844381874 632186924 /nfs/dbraw/zinc/18/69/24/632186924.db2.gz TZXYIGJYHZSIAC-MRXNPFEDSA-N 0 3 295.810 2.826 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000815015984 632188468 /nfs/dbraw/zinc/18/84/68/632188468.db2.gz QWDLFSMGHSIYLP-NWDGAFQWSA-N 0 3 274.355 2.577 20 30 CFEDHN Cc1ccc(C(=O)OC[C@H]2CCN2C(C)(C)C)cc1C#N ZINC000845736154 632542847 /nfs/dbraw/zinc/54/28/47/632542847.db2.gz PRQPPRKFFYQDTB-OAHLLOKOSA-N 0 3 286.375 2.896 20 30 CFEDHN CCC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCCC1 ZINC000845849635 632580257 /nfs/dbraw/zinc/58/02/57/632580257.db2.gz DEHWZLNHSOYBFA-LBPRGKRZSA-N 0 3 294.395 2.697 20 30 CFEDHN C#CCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882698 632589813 /nfs/dbraw/zinc/58/98/13/632589813.db2.gz PVJUBCLRSKBSEA-IAQYHMDHSA-N 0 3 293.294 2.879 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCCCCC)CC1 ZINC000106256592 632681495 /nfs/dbraw/zinc/68/14/95/632681495.db2.gz VXEGLWPZQYASNL-UHFFFAOYSA-N 0 3 281.444 2.906 20 30 CFEDHN C=C[C@H](C)ONC(=O)c1oc2ccccc2c1CN(C)C ZINC000846546568 632735350 /nfs/dbraw/zinc/73/53/50/632735350.db2.gz WSUHSYIHAXKIDE-NSHDSACASA-N 0 3 288.347 2.730 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000847022146 632886782 /nfs/dbraw/zinc/88/67/82/632886782.db2.gz FSFHOPVOENAJLG-CQSZACIVSA-N 0 3 282.391 2.857 20 30 CFEDHN C#C[C@H]1CCCN([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000847034976 632897912 /nfs/dbraw/zinc/89/79/12/632897912.db2.gz XRQOSMSONKHZJD-IRXDYDNUSA-N 0 3 298.430 2.769 20 30 CFEDHN C=C(Br)CN[C@@H](CC)[C@H]1CCCCO1 ZINC000847074611 632911858 /nfs/dbraw/zinc/91/18/58/632911858.db2.gz AVFRRTDLCZRJAF-WDEREUQCSA-N 0 3 262.191 2.832 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)CCC(C)C ZINC000819072071 632952836 /nfs/dbraw/zinc/95/28/36/632952836.db2.gz JMPKQRYNCOXJIU-INIZCTEOSA-N 0 3 275.392 2.585 20 30 CFEDHN C[C@@H]1Oc2ccccc2[C@H]1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819316450 633072431 /nfs/dbraw/zinc/07/24/31/633072431.db2.gz REHUDYCMGBPOTD-XZOAIXRZSA-N 0 3 294.354 2.703 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)OC[C@@H](C)N1CCCCC1 ZINC000847963997 633170153 /nfs/dbraw/zinc/17/01/53/633170153.db2.gz VMPJFQKIYPTTQW-GDBMZVCRSA-N 0 3 283.412 2.633 20 30 CFEDHN C=CCCCCCCNC(=O)CN1CC[C@H](C)C1 ZINC000848071454 633199113 /nfs/dbraw/zinc/19/91/13/633199113.db2.gz RPHIXBWKWOQDNO-AWEZNQCLSA-N 0 3 252.402 2.581 20 30 CFEDHN CC[C@@](C)(NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000848398967 633248499 /nfs/dbraw/zinc/24/84/99/633248499.db2.gz NCEQOPDLHAMIOT-NVXWUHKLSA-N 0 3 287.407 2.839 20 30 CFEDHN Cc1nc(Cl)cc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848405837 633250267 /nfs/dbraw/zinc/25/02/67/633250267.db2.gz AVHBVGABXAAHPH-LBPRGKRZSA-N 0 3 293.802 2.855 20 30 CFEDHN CCN(C)c1ccc(C(C)=NNCCCn2ccnc2)cc1 ZINC000848419013 633255930 /nfs/dbraw/zinc/25/59/30/633255930.db2.gz UHURMEYUVOKARP-UHFFFAOYSA-N 0 3 299.422 2.743 20 30 CFEDHN CC[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000848569092 633292249 /nfs/dbraw/zinc/29/22/49/633292249.db2.gz BUMNOQXPJMHOAL-JKSUJKDBSA-N 0 3 299.374 2.582 20 30 CFEDHN C=CCC[C@@H](NCCN(C)C(=O)OC)c1ccco1 ZINC000850547388 634047044 /nfs/dbraw/zinc/04/70/44/634047044.db2.gz FLFHKMQDDPYRLV-GFCCVEGCSA-N 0 3 266.341 2.575 20 30 CFEDHN CC([C@H](OC(=O)[C@H](C)CC#N)c1ccccc1F)[N+](=O)[O-] ZINC000851108867 634226281 /nfs/dbraw/zinc/22/62/81/634226281.db2.gz QLJFZBPHHOMTQZ-BREBYQMCSA-N 0 3 294.282 2.625 20 30 CFEDHN C=C[C@H](C)ON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853369196 634984957 /nfs/dbraw/zinc/98/49/57/634984957.db2.gz IJVNVLOCJLWOKM-ZDUSSCGKSA-N 0 3 274.364 2.573 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C[C@@](C)(CC)CC2=O)C1 ZINC000853537352 635032170 /nfs/dbraw/zinc/03/21/70/635032170.db2.gz VSNBLMDUMGTRNV-ZBFHGGJFSA-N 0 3 264.413 2.881 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000854514436 635323023 /nfs/dbraw/zinc/32/30/23/635323023.db2.gz BTNSNAPUAUEHFN-YSVLISHTSA-N 0 3 297.402 2.679 20 30 CFEDHN C#CCCCCCC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855164565 635474140 /nfs/dbraw/zinc/47/41/40/635474140.db2.gz MPLPDKIERBPDBL-AWEZNQCLSA-N 0 3 264.413 2.559 20 30 CFEDHN C=CCCn1cc(CNCC[C@@H]2CC2(Cl)Cl)nn1 ZINC000856803235 635864627 /nfs/dbraw/zinc/86/46/27/635864627.db2.gz BQQXRHVNQVNLLG-SNVBAGLBSA-N 0 3 289.210 2.528 20 30 CFEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819421 635868676 /nfs/dbraw/zinc/86/86/76/635868676.db2.gz UVIMRTFDMKVGEQ-WFASDCNBSA-N 0 3 266.385 2.552 20 30 CFEDHN C=C(C)CN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858043063 636117646 /nfs/dbraw/zinc/11/76/46/636117646.db2.gz JFDSNKCXZRKKEE-HNNXBMFYSA-N 0 3 258.365 2.988 20 30 CFEDHN CCCCCCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000858112193 636130117 /nfs/dbraw/zinc/13/01/17/636130117.db2.gz IPYHXMTYHIEITB-CQSZACIVSA-N 0 3 281.444 2.906 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cccc(OC2CC2)c1F ZINC000858334031 636194573 /nfs/dbraw/zinc/19/45/73/636194573.db2.gz GMLGCYJYCQAPAQ-AWEZNQCLSA-N 0 3 291.366 2.885 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(SC)s1 ZINC000858335424 636195925 /nfs/dbraw/zinc/19/59/25/636195925.db2.gz UNWYGAYYDTUYSV-JTQLQIEISA-N 0 3 255.408 2.598 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(OCC(C)C)cc1 ZINC000858335100 636196058 /nfs/dbraw/zinc/19/60/58/636196058.db2.gz MMALETSXZXAJIY-INIZCTEOSA-N 0 3 275.392 2.849 20 30 CFEDHN C#CC[C@@H](COC)Nc1ccnc2cc(OC)ccc21 ZINC000858861201 636363076 /nfs/dbraw/zinc/36/30/76/636363076.db2.gz ZJPUSXZXSOGBQD-LBPRGKRZSA-N 0 3 270.332 2.694 20 30 CFEDHN C#CCCOC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000858900317 636376200 /nfs/dbraw/zinc/37/62/00/636376200.db2.gz PNRIREPXEGIOBP-AWEZNQCLSA-N 0 3 294.420 2.881 20 30 CFEDHN C=C(Br)CN[C@@]1(CO)CCCC(C)(C)C1 ZINC000859615579 636623409 /nfs/dbraw/zinc/62/34/09/636623409.db2.gz RPIKGCNDIKBVIK-LBPRGKRZSA-N 0 3 276.218 2.816 20 30 CFEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000860470631 636892797 /nfs/dbraw/zinc/89/27/97/636892797.db2.gz RKFHCCXUOMBLLL-UONOGXRCSA-N 0 3 288.347 2.539 20 30 CFEDHN C#C[C@@H](C)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000862362946 637334778 /nfs/dbraw/zinc/33/47/78/637334778.db2.gz HQHOATTWEKKUER-SECBINFHSA-N 0 3 257.255 2.825 20 30 CFEDHN C#C[C@H](C)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000862362947 637335286 /nfs/dbraw/zinc/33/52/86/637335286.db2.gz HQHOATTWEKKUER-VIFPVBQESA-N 0 3 257.255 2.825 20 30 CFEDHN C#CC[C@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000862445666 637386831 /nfs/dbraw/zinc/38/68/31/637386831.db2.gz ZEYHYHUPFCBHSZ-AWEZNQCLSA-N 0 3 265.360 2.922 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1ncccc1C(F)(F)F ZINC000862548066 637421021 /nfs/dbraw/zinc/42/10/21/637421021.db2.gz XEQMRGGDLSNGRC-NSHDSACASA-N 0 3 286.297 2.618 20 30 CFEDHN C=CCCCN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000119732418 637821803 /nfs/dbraw/zinc/82/18/03/637821803.db2.gz RWGJUXSEHBIGLX-UHFFFAOYSA-N 0 3 274.324 2.800 20 30 CFEDHN C#CCSCCNCc1cc(OC)c(OC)cc1Cl ZINC000865469964 638357423 /nfs/dbraw/zinc/35/74/23/638357423.db2.gz CEQVVKYDAJRDAR-UHFFFAOYSA-N 0 3 299.823 2.813 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016374786 651232462 /nfs/dbraw/zinc/23/24/62/651232462.db2.gz VXDQEXYLKZIUMK-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C#CC[C@H](COC)NCc1cccc(OC(C)(C)C)c1 ZINC000865646585 638485694 /nfs/dbraw/zinc/48/56/94/638485694.db2.gz WOSMSHSQBZBQDJ-OAHLLOKOSA-N 0 3 275.392 2.992 20 30 CFEDHN COCc1ccc(CN[C@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000865849454 638612657 /nfs/dbraw/zinc/61/26/57/638612657.db2.gz VBTCXAYMGYATHU-HNNXBMFYSA-N 0 3 282.343 2.555 20 30 CFEDHN C#Cc1ccc(CNCc2cc3c([nH]c2=O)CCCC3)cc1 ZINC000865878747 638639908 /nfs/dbraw/zinc/63/99/08/638639908.db2.gz ZEOAFCVWGFRMAH-UHFFFAOYSA-N 0 3 292.382 2.937 20 30 CFEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(C)cc1 ZINC000121737160 638889420 /nfs/dbraw/zinc/88/94/20/638889420.db2.gz GZQVKCSEYKUOJL-CJNGLKHVSA-N 0 3 298.386 2.866 20 30 CFEDHN COc1ccc(C2CC2)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000868045452 638918336 /nfs/dbraw/zinc/91/83/36/638918336.db2.gz BHAJAUKHZWHLBD-AWEZNQCLSA-N 0 3 287.363 2.532 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)nc21 ZINC000870207723 639544693 /nfs/dbraw/zinc/54/46/93/639544693.db2.gz OAZVSIXXDXGFPY-FDYHWXHSSA-N 0 3 297.358 2.861 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)[nH]c21 ZINC000870207723 639544699 /nfs/dbraw/zinc/54/46/99/639544699.db2.gz OAZVSIXXDXGFPY-FDYHWXHSSA-N 0 3 297.358 2.861 20 30 CFEDHN C=C(Br)CN1CCC[C@]1(CO)CC(C)C ZINC000191656495 650515282 /nfs/dbraw/zinc/51/52/82/650515282.db2.gz ZHFRCAGTAVKRLR-GFCCVEGCSA-N 0 3 276.218 2.768 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(F)s2)CC1 ZINC001006464283 650551201 /nfs/dbraw/zinc/55/12/01/650551201.db2.gz DFLVMZJDUYRUOC-UHFFFAOYSA-N 0 3 296.411 3.000 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000192686065 650585373 /nfs/dbraw/zinc/58/53/73/650585373.db2.gz GGJFFCVOFAZQBY-SNVBAGLBSA-N 0 3 295.408 2.623 20 30 CFEDHN N#Cc1ccc([C@H](NCC2CCC3(CC3)CC2)C(N)=O)cc1 ZINC000871916861 641510942 /nfs/dbraw/zinc/51/09/42/641510942.db2.gz XDDLISRRSSITJT-INIZCTEOSA-N 0 3 297.402 2.645 20 30 CFEDHN C=CCOCCC[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872086123 641620447 /nfs/dbraw/zinc/62/04/47/641620447.db2.gz SEAYIVVONBLCGD-NSHDSACASA-N 0 3 253.317 2.775 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129511 641657732 /nfs/dbraw/zinc/65/77/32/641657732.db2.gz FYVDUIVQXZPLMY-UTUOFQBUSA-N 0 3 259.309 2.938 20 30 CFEDHN Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000124149796 641858925 /nfs/dbraw/zinc/85/89/25/641858925.db2.gz WPAQHVXNEPVPLQ-XJKSGUPXSA-N 0 3 298.386 2.866 20 30 CFEDHN COCC(C)(C)CCNCc1cccc(F)c1C#N ZINC000873151335 642032518 /nfs/dbraw/zinc/03/25/18/642032518.db2.gz FRDSKEOZBJRQOO-UHFFFAOYSA-N 0 3 264.344 2.850 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1SC ZINC000876549122 642917478 /nfs/dbraw/zinc/91/74/78/642917478.db2.gz GQZCAFISXAZNSV-SECBINFHSA-N 0 3 270.785 2.817 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000876549426 642917885 /nfs/dbraw/zinc/91/78/85/642917885.db2.gz PBBMJZMVAPKDTD-ZDUSSCGKSA-N 0 3 278.783 2.974 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCSc1ccccc1 ZINC000876554112 642919115 /nfs/dbraw/zinc/91/91/15/642919115.db2.gz CKCAKUFHZIKVSB-CYBMUJFWSA-N 0 3 298.839 2.755 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1C2CCC1CC2 ZINC000876559891 642922407 /nfs/dbraw/zinc/92/24/07/642922407.db2.gz BMWQMMWXSFWADD-UHFFFAOYSA-N 0 3 255.365 2.751 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000876562983 642924707 /nfs/dbraw/zinc/92/47/07/642924707.db2.gz ZJZLFIRRUWWAJR-LLVKDONJSA-N 0 3 298.770 2.502 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C1CCCCCC1 ZINC000876569631 642927330 /nfs/dbraw/zinc/92/73/30/642927330.db2.gz JJTGFWXYPPXMHT-GFCCVEGCSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C1CCCCC1 ZINC000876575456 642930308 /nfs/dbraw/zinc/93/03/08/642930308.db2.gz FSFVAKBXZPVIKV-CMPLNLGQSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000876574772 642930537 /nfs/dbraw/zinc/93/05/37/642930537.db2.gz ZOOXLEGCKRXXCB-KGLIPLIRSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccccc1C ZINC000876592533 642936710 /nfs/dbraw/zinc/93/67/10/642936710.db2.gz SYFHHDGFXVLQMR-CQSZACIVSA-N 0 3 280.799 2.813 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1cccs1 ZINC000876595539 642938903 /nfs/dbraw/zinc/93/89/03/642938903.db2.gz HNLDCSWPERBACD-NXEZZACHSA-N 0 3 272.801 2.737 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C(C)C)C1CCCC1 ZINC000876595503 642938937 /nfs/dbraw/zinc/93/89/37/642938937.db2.gz BZSHKDPBWFCBQU-GFCCVEGCSA-N 0 3 258.793 2.636 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000876603562 642941556 /nfs/dbraw/zinc/94/15/56/642941556.db2.gz WULDUZHZCLUDTL-DOERSZECSA-N 0 3 284.831 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1CC ZINC000876602820 642941974 /nfs/dbraw/zinc/94/19/74/642941974.db2.gz GXRNFYSAINAGNK-WOPDTQHZSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1cc(C)cc(C)c1 ZINC000876611337 642943680 /nfs/dbraw/zinc/94/36/80/642943680.db2.gz DIWODNKXSIARJO-ZDUSSCGKSA-N 0 3 266.772 2.736 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1cc(C)cc(C)c1 ZINC000876611336 642943977 /nfs/dbraw/zinc/94/39/77/642943977.db2.gz DIWODNKXSIARJO-CYBMUJFWSA-N 0 3 266.772 2.736 20 30 CFEDHN OC1(CNCC#Cc2ccccc2)CCCCCC1 ZINC000087089288 650799389 /nfs/dbraw/zinc/79/93/89/650799389.db2.gz IGDXXXYIVXYLCZ-UHFFFAOYSA-N 0 3 257.377 2.713 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(OCC)c1 ZINC000876613830 642944607 /nfs/dbraw/zinc/94/46/07/642944607.db2.gz VLKLBAXTKNPPES-BXUZGUMPSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000876616468 642946171 /nfs/dbraw/zinc/94/61/71/642946171.db2.gz ODTSOHAKQSRDTQ-QWHCGFSZSA-N 0 3 299.201 2.913 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2C)CC1 ZINC000876641349 642954504 /nfs/dbraw/zinc/95/45/04/642954504.db2.gz MKPRXKDULPUZGC-AWEZNQCLSA-N 0 3 292.810 2.613 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000876644909 642956693 /nfs/dbraw/zinc/95/66/93/642956693.db2.gz DYFPDULBXCHUAS-GFCCVEGCSA-N 0 3 284.762 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000876648638 642958095 /nfs/dbraw/zinc/95/80/95/642958095.db2.gz VEHAYYGIKBUENL-MFKMUULPSA-N 0 3 278.783 2.682 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000876665051 642963383 /nfs/dbraw/zinc/96/33/83/642963383.db2.gz MQRMLYYNNULNAZ-STQMWFEESA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000876669787 642965766 /nfs/dbraw/zinc/96/57/66/642965766.db2.gz YGMUYPLRWPGRDZ-YUELXQCFSA-N 0 3 292.810 2.861 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000876669986 642966540 /nfs/dbraw/zinc/96/65/40/642966540.db2.gz CVZMQTCWXQUBRN-GFCCVEGCSA-N 0 3 276.767 2.535 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@@H]1CC ZINC000876671114 642966587 /nfs/dbraw/zinc/96/65/87/642966587.db2.gz KAXLPUWNYYSPAM-NWDGAFQWSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000876673595 642967557 /nfs/dbraw/zinc/96/75/57/642967557.db2.gz ZCMYYVRAIWYQND-AWEZNQCLSA-N 0 3 294.826 2.841 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1CC(C)C ZINC000876679653 642970643 /nfs/dbraw/zinc/97/06/43/642970643.db2.gz HUJKNCONSUNEPS-OLZOCXBDSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1SCC ZINC000876688933 642973665 /nfs/dbraw/zinc/97/36/65/642973665.db2.gz PRWGUEWXHXJTHU-SDDRHHMPSA-N 0 3 290.860 2.637 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000876688072 642973738 /nfs/dbraw/zinc/97/37/38/642973738.db2.gz PYDPEHAUUPGRKF-SNPRPXQTSA-N 0 3 292.810 2.861 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C)cc1SC ZINC000876692280 642976990 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ZINC000877595705 643387909 /nfs/dbraw/zinc/38/79/09/643387909.db2.gz HINROUPZSHGLPR-CHWSQXEVSA-N 0 3 279.771 2.654 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877620653 643406431 /nfs/dbraw/zinc/40/64/31/643406431.db2.gz VVUOVYRIXGFNBI-CYBMUJFWSA-N 0 3 292.814 2.569 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CCSC2)c1 ZINC000877662236 643439701 /nfs/dbraw/zinc/43/97/01/643439701.db2.gz OTVHEVOGBFKENN-SNVBAGLBSA-N 0 3 281.812 2.839 20 30 CFEDHN Cc1ncc(CN(C)CCc2cccc(C#N)c2)s1 ZINC000877703844 643469518 /nfs/dbraw/zinc/46/95/18/643469518.db2.gz FORYWCFRHWJSTL-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN COc1cccc([O-])c1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000877704736 643470403 /nfs/dbraw/zinc/47/04/03/643470403.db2.gz UCBUTWBWJQJCED-UHFFFAOYSA-N 0 3 296.370 2.947 20 30 CFEDHN COc1cccc([O-])c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704736 643470409 /nfs/dbraw/zinc/47/04/09/643470409.db2.gz UCBUTWBWJQJCED-UHFFFAOYSA-N 0 3 296.370 2.947 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000877736625 643495100 /nfs/dbraw/zinc/49/51/00/643495100.db2.gz AECAEVDJCCFUOY-JKSUJKDBSA-N 0 3 287.428 2.884 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)c(F)c1 ZINC000877737822 643499720 /nfs/dbraw/zinc/49/97/20/643499720.db2.gz LDIHHQVWCVQAHA-KGLIPLIRSA-N 0 3 276.380 2.882 20 30 CFEDHN C#CCCCCCN1CCN(Cc2csc(C)n2)CC1 ZINC000877920593 643642595 /nfs/dbraw/zinc/64/25/95/643642595.db2.gz RGWLTTSXNUJMAO-UHFFFAOYSA-N 0 3 291.464 2.763 20 30 CFEDHN CCN(CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000877953698 643660727 /nfs/dbraw/zinc/66/07/27/643660727.db2.gz BHZFDQPCCAOFAO-QGZVFWFLSA-N 0 3 270.376 2.911 20 30 CFEDHN C#CCCCCCN1CCN(c2ccc(F)cn2)CC1 ZINC000878375381 643863546 /nfs/dbraw/zinc/86/35/46/643863546.db2.gz ZONYMXVDKGCQNT-UHFFFAOYSA-N 0 3 275.371 2.536 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)o1 ZINC000878629325 643964619 /nfs/dbraw/zinc/96/46/19/643964619.db2.gz VEQIKEISMKXTJV-ZDUSSCGKSA-N 0 3 253.305 2.536 20 30 CFEDHN C=CCN(C[C@H]1CCC2(CCC2)O1)[C@H](C)COC ZINC000878890107 644063448 /nfs/dbraw/zinc/06/34/48/644063448.db2.gz TYRVCPCCMHFLOM-ZIAGYGMSSA-N 0 3 253.386 2.611 20 30 CFEDHN C#CCN(CCCCOC(C)(C)C)C1CSC1 ZINC000878910272 644071572 /nfs/dbraw/zinc/07/15/72/644071572.db2.gz QZQATXYFXIBGAO-UHFFFAOYSA-N 0 3 255.427 2.632 20 30 CFEDHN C#CCN(CC/C=C/c1cncc(OC)c1)C1CSC1 ZINC000878910503 644071788 /nfs/dbraw/zinc/07/17/88/644071788.db2.gz NVFWWCMLRNBPOC-GQCTYLIASA-N 0 3 288.416 2.544 20 30 CFEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000878987835 644098536 /nfs/dbraw/zinc/09/85/36/644098536.db2.gz LEZSLLTXDVOMNP-JFIYKMOQSA-N 0 3 282.387 2.769 20 30 CFEDHN COc1cccc(CN2CCN(CCCCC#N)CC2)c1 ZINC000879450248 644276092 /nfs/dbraw/zinc/27/60/92/644276092.db2.gz DOZXPUDYBFBHQQ-UHFFFAOYSA-N 0 3 287.407 2.507 20 30 CFEDHN CC[C@H](NCCOCCC#N)c1cccc(OC)c1OC ZINC000879466019 644281345 /nfs/dbraw/zinc/28/13/45/644281345.db2.gz LOYAGLPRJFIBRN-AWEZNQCLSA-N 0 3 292.379 2.675 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC000879500641 644293496 /nfs/dbraw/zinc/29/34/96/644293496.db2.gz ULJOKCVTTLODGH-FVQBIDKESA-N 0 3 282.391 2.558 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562684 644321676 /nfs/dbraw/zinc/32/16/76/644321676.db2.gz KBVKGFCGYOWNGP-HIFRSBDPSA-N 0 3 288.416 2.752 20 30 CFEDHN C#CCOc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000092428292 650919809 /nfs/dbraw/zinc/91/98/09/650919809.db2.gz VNXCJSCOWQACBR-QGZVFWFLSA-N 0 3 273.376 2.700 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C(C)(C)O)C1 ZINC000879963929 644477634 /nfs/dbraw/zinc/47/76/34/644477634.db2.gz RCNBBMXVBDDWLF-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1ccc(C(F)(F)F)nc1 ZINC000880098100 644531546 /nfs/dbraw/zinc/53/15/46/644531546.db2.gz HIHXEVGBCSHOOY-SNVBAGLBSA-N 0 3 287.285 2.681 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@@H](c3nccs3)C2)c1 ZINC000880316119 644649438 /nfs/dbraw/zinc/64/94/38/644649438.db2.gz CWBQHRAZNWVXEB-CQSZACIVSA-N 0 3 299.399 2.883 20 30 CFEDHN C=CCCC[C@H](NCC(=O)NCC=C)c1ccccc1 ZINC000880389421 644685642 /nfs/dbraw/zinc/68/56/42/644685642.db2.gz UDCOXNBYRYBQTO-INIZCTEOSA-N 0 3 272.392 2.976 20 30 CFEDHN CC(C)(C)OCCCN1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880415440 644698073 /nfs/dbraw/zinc/69/80/73/644698073.db2.gz NMSQVPGVYMOYHX-CVEARBPZSA-N 0 3 293.455 2.501 20 30 CFEDHN CC(C)(C)OCCCN1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000880415441 644698144 /nfs/dbraw/zinc/69/81/44/644698144.db2.gz NMSQVPGVYMOYHX-HOTGVXAUSA-N 0 3 293.455 2.501 20 30 CFEDHN C#CCC1(O)CCN(Cc2cccc(OC(C)C)c2)CC1 ZINC000880479307 644729273 /nfs/dbraw/zinc/72/92/73/644729273.db2.gz SIWNNXYZOXUWSR-UHFFFAOYSA-N 0 3 287.403 2.824 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2CCC[C@]23CCCO3)c1 ZINC000880510880 644744420 /nfs/dbraw/zinc/74/44/20/644744420.db2.gz IJTPSIYPPMQZTI-CVEARBPZSA-N 0 3 274.339 2.889 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCOCC2CC2)cc1 ZINC000093818536 650947122 /nfs/dbraw/zinc/94/71/22/650947122.db2.gz IHKWDSWFVHGRQA-AWEZNQCLSA-N 0 3 288.391 2.836 20 30 CFEDHN Cc1nc(C#N)cc(N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000882136621 645216546 /nfs/dbraw/zinc/21/65/46/645216546.db2.gz SMPDJXOOFKPDTI-RDJZCZTQSA-N 0 3 293.374 2.514 20 30 CFEDHN C#CCC1(O)CCN(c2ccnc3cc(OC)ccc32)CC1 ZINC000882969864 645533433 /nfs/dbraw/zinc/53/34/33/645533433.db2.gz IAFULRVCXBLCSG-UHFFFAOYSA-N 0 3 296.370 2.598 20 30 CFEDHN C(#Cc1ccccc1)CNCc1cccc2c1CCOC2 ZINC000883011644 645561112 /nfs/dbraw/zinc/56/11/12/645561112.db2.gz DDNVHZQHLUMCGC-UHFFFAOYSA-N 0 3 277.367 2.901 20 30 CFEDHN C=CCC[C@H](NCc1ncccc1OC)[C@H]1CCCO1 ZINC000883227000 645677349 /nfs/dbraw/zinc/67/73/49/645677349.db2.gz JLNXKBBBSCMOLP-XJKSGUPXSA-N 0 3 276.380 2.694 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC(C)(C)CC[C@@H]2C)nn1 ZINC000883230883 645680093 /nfs/dbraw/zinc/68/00/93/645680093.db2.gz SYDVQJPIMFQNCN-GXTWGEPZSA-N 0 3 262.401 2.769 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1CCC2(CCC2)O1 ZINC000883364601 645771225 /nfs/dbraw/zinc/77/12/25/645771225.db2.gz KGULVBPAGWAHET-INIZCTEOSA-N 0 3 285.387 2.890 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F 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ZINC000134415960 646343221 /nfs/dbraw/zinc/34/32/21/646343221.db2.gz ZWCDLDXDAOGCRE-UHFFFAOYSA-N 0 3 268.316 2.584 20 30 CFEDHN C=C(CC)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885479302 646694491 /nfs/dbraw/zinc/69/44/91/646694491.db2.gz ZLEHMJSNTSIIFT-LBPRGKRZSA-N 0 3 267.369 2.533 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000885930689 646772102 /nfs/dbraw/zinc/77/21/02/646772102.db2.gz DUZFGQPPBQXOIM-NWDGAFQWSA-N 0 3 290.329 2.706 20 30 CFEDHN CC(C)(C)CN(CCC#N)C[C@@H]1C[C@@]12CCOC2 ZINC000886016482 646818002 /nfs/dbraw/zinc/81/80/02/646818002.db2.gz FZQKNYKBQMNXGR-DZGCQCFKSA-N 0 3 250.386 2.675 20 30 CFEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1ccccn1 ZINC000136539653 646866423 /nfs/dbraw/zinc/86/64/23/646866423.db2.gz NIDQRYKGRNQEAC-MUBLQREKSA-N 0 3 267.263 2.505 20 30 CFEDHN CSc1ccc(CNCc2cccn2C)cc1C#N ZINC000886279247 646949095 /nfs/dbraw/zinc/94/90/95/646949095.db2.gz UCFSQQSDEGYQIP-UHFFFAOYSA-N 0 3 271.389 2.908 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000886363758 646988113 /nfs/dbraw/zinc/98/81/13/646988113.db2.gz CELBRLCHDAASSC-CYBMUJFWSA-N 0 3 288.347 2.839 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)[C@H]1c1ccccc1 ZINC000886545511 647041857 /nfs/dbraw/zinc/04/18/57/647041857.db2.gz MZHOSQMDXGSRFC-YJBOKZPZSA-N 0 3 299.418 2.832 20 30 CFEDHN COC(=O)[C@@H]1CC[C@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000886553679 647045372 /nfs/dbraw/zinc/04/53/72/647045372.db2.gz SWQCGCSZNAJDOJ-OWCLPIDISA-N 0 3 286.375 2.963 20 30 CFEDHN C#CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CCN(C)CC1 ZINC000886574497 647051207 /nfs/dbraw/zinc/05/12/07/647051207.db2.gz ISCGANKSKWDSPL-GOEBONIOSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN(C(=O)CCC[Si](C)(C)C)C1CCN(C)CC1 ZINC000886574829 647051225 /nfs/dbraw/zinc/05/12/25/647051225.db2.gz VIKBWTNNNOYKBL-UHFFFAOYSA-N 0 3 294.515 2.661 20 30 CFEDHN C#CCN(C(=O)C1CCCCCCC1)C1CCN(C)CC1 ZINC000886581447 647054093 /nfs/dbraw/zinc/05/40/93/647054093.db2.gz XREJEASUPFIGKJ-UHFFFAOYSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C(=O)CCCC(C)(C)C)C1CCN(C)CC1 ZINC000886582423 647054116 /nfs/dbraw/zinc/05/41/16/647054116.db2.gz UDFMGPIIDIWKHY-UHFFFAOYSA-N 0 3 278.440 2.759 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cccn2C(C)C)CC1 ZINC001006415324 647077850 /nfs/dbraw/zinc/07/78/50/647077850.db2.gz GORSYSBDTIMFGD-UHFFFAOYSA-N 0 3 289.423 2.791 20 30 CFEDHN C=CCC1(O)CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000886768884 647131976 /nfs/dbraw/zinc/13/19/76/647131976.db2.gz KMFGLQORMOSMTN-UHFFFAOYSA-N 0 3 281.346 2.910 20 30 CFEDHN C=CCC1(O)CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000886776394 647133503 /nfs/dbraw/zinc/13/35/03/647133503.db2.gz FKMGLGVYNFMEKY-HNNXBMFYSA-N 0 3 295.810 2.776 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCCO3)C2)s1 ZINC000886819672 647152775 /nfs/dbraw/zinc/15/27/75/647152775.db2.gz VKAKNWPHQQLTGJ-SMDDNHRTSA-N 0 3 262.378 2.621 20 30 CFEDHN COc1cccc([C@@H](CO)N[C@@H](C)CC(C)(C)C#N)c1 ZINC000925143834 648115643 /nfs/dbraw/zinc/11/56/43/648115643.db2.gz PSHKLUVLHGHUJK-SWLSCSKDSA-N 0 3 276.380 2.647 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000925328605 648157203 /nfs/dbraw/zinc/15/72/03/648157203.db2.gz KDWAJGVUXLOEFW-GOEBONIOSA-N 0 3 299.418 2.705 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925532048 648203274 /nfs/dbraw/zinc/20/32/74/648203274.db2.gz PHLRFWVXIUFETG-ZDUSSCGKSA-N 0 3 263.385 2.851 20 30 CFEDHN N#C[C@H]1CCC[C@H](N2CCOc3ccc(N)cc3C2)C1 ZINC000925755153 648309952 /nfs/dbraw/zinc/30/99/52/648309952.db2.gz SRMRFNXZMYOUHI-WFASDCNBSA-N 0 3 271.364 2.546 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N2CCOc3ccc(N)cc3C2)C1 ZINC000925755151 648310644 /nfs/dbraw/zinc/31/06/44/648310644.db2.gz SRMRFNXZMYOUHI-IUODEOHRSA-N 0 3 271.364 2.546 20 30 CFEDHN Cc1ccc(CN[C@H](C)c2cnccc2N)cc1C#N ZINC000925842145 648340983 /nfs/dbraw/zinc/34/09/83/648340983.db2.gz WTZFMYIHNNEISP-GFCCVEGCSA-N 0 3 266.348 2.525 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCCc2c(Cl)ccnc21 ZINC000926155530 648418008 /nfs/dbraw/zinc/41/80/08/648418008.db2.gz XSTLPZRLQRAZBK-MFKMUULPSA-N 0 3 266.772 2.639 20 30 CFEDHN COc1cc([C@@H](C)NCC2CCC(C#N)CC2)on1 ZINC000926356602 648470640 /nfs/dbraw/zinc/47/06/40/648470640.db2.gz NJNFYDIWLFDFBU-VOMCLLRMSA-N 0 3 263.341 2.664 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2c1nccc2Cl ZINC000926546895 648527680 /nfs/dbraw/zinc/52/76/80/648527680.db2.gz YOXNKGWKQJQZHM-GXFFZTMASA-N 0 3 266.772 2.639 20 30 CFEDHN C[C@H](NCCc1nc2c(s1)CCC2)c1cc(C#N)ccn1 ZINC000926928462 648661587 /nfs/dbraw/zinc/66/15/87/648661587.db2.gz FQJVMODILUENMA-NSHDSACASA-N 0 3 298.415 2.792 20 30 CFEDHN C=CCC[C@H](NCCO[C@@H]1CCOC1)c1ccco1 ZINC000927081311 648702254 /nfs/dbraw/zinc/70/22/54/648702254.db2.gz OLVHDDJEYIRYRY-KGLIPLIRSA-N 0 3 265.353 2.682 20 30 CFEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CCC#N)cc1 ZINC000928403641 648907862 /nfs/dbraw/zinc/90/78/62/648907862.db2.gz DERDYHRUYOUSOV-KBPBESRZSA-N 0 3 285.391 2.954 20 30 CFEDHN COC/C(C)=C\CN1CCCN(c2ccccc2C#N)CC1 ZINC000929262800 649018189 /nfs/dbraw/zinc/01/81/89/649018189.db2.gz KNDWJJBOCVRYDX-PXNMLYILSA-N 0 3 299.418 2.663 20 30 CFEDHN C#CCN(CCc1nnc(C)o1)[C@@H]1CCc2ccccc21 ZINC000929334498 649033263 /nfs/dbraw/zinc/03/32/63/649033263.db2.gz PAICYTWTUQLYTC-MRXNPFEDSA-N 0 3 281.359 2.543 20 30 CFEDHN C#CCN(Cc1cc(C)nnc1C)C1CCCCC1 ZINC000929360952 649038652 /nfs/dbraw/zinc/03/86/52/649038652.db2.gz CDMGSZLRXMFKDB-UHFFFAOYSA-N 0 3 257.381 2.861 20 30 CFEDHN N#Cc1cncc(CNC2(c3ccccc3)CCOCC2)c1 ZINC000929979165 649159422 /nfs/dbraw/zinc/15/94/22/649159422.db2.gz LPOCVRXDPZAUOO-UHFFFAOYSA-N 0 3 293.370 2.749 20 30 CFEDHN C[C@H](NC[C@H](O)CC#N)c1cccc2ccccc21 ZINC000930183112 649200049 /nfs/dbraw/zinc/20/00/49/649200049.db2.gz NTYFHFADIMKWPE-GXTWGEPZSA-N 0 3 254.333 2.765 20 30 CFEDHN CCSc1ccc([C@@H](C)NC[C@H](O)CC#N)cc1 ZINC000930215263 649208097 /nfs/dbraw/zinc/20/80/97/649208097.db2.gz RQBPYLNFBJFSLF-DGCLKSJQSA-N 0 3 264.394 2.724 20 30 CFEDHN C#CC[C@H](NCC[S@@](=O)C(F)(F)F)c1ccccc1 ZINC000930221352 649208437 /nfs/dbraw/zinc/20/84/37/649208437.db2.gz SSPAMGZSSMOKGN-HXPMCKFVSA-N 0 3 289.322 2.609 20 30 CFEDHN N#Cc1cc(Cl)cc(CN2CC[C@@H](CCCO)C2)c1 ZINC000930677645 649304583 /nfs/dbraw/zinc/30/45/83/649304583.db2.gz XTDAEWKMCAIFRG-GFCCVEGCSA-N 0 3 278.783 2.806 20 30 CFEDHN C[C@H](NCCCCC1(C#N)CCC1)c1ccn(C)n1 ZINC000930706374 649311291 /nfs/dbraw/zinc/31/12/91/649311291.db2.gz YLQUGQLCTGFFET-ZDUSSCGKSA-N 0 3 260.385 2.935 20 30 CFEDHN C=CCN(C[C@@H](O)c1cccc(C)c1)[C@H](C)COC ZINC000930930430 649351935 /nfs/dbraw/zinc/35/19/35/649351935.db2.gz HRRCGKWOICTJCV-GDBMZVCRSA-N 0 3 263.381 2.551 20 30 CFEDHN Cc1nc(C)c(CNC(C)(C)c2cccc(C#N)c2)[nH]1 ZINC000930931066 649352467 /nfs/dbraw/zinc/35/24/67/649352467.db2.gz QNFATYHWXAYFAX-UHFFFAOYSA-N 0 3 268.364 2.923 20 30 CFEDHN C=CCN(Cc1cncc(C(=O)OC)c1)C(C)(C)C ZINC000931016540 649365079 /nfs/dbraw/zinc/36/50/79/649365079.db2.gz GRNSRWLUQRKVPR-UHFFFAOYSA-N 0 3 262.353 2.655 20 30 CFEDHN C#CC1(O)CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000931149030 649387124 /nfs/dbraw/zinc/38/71/24/649387124.db2.gz DKABIROJVUJJEV-HNNXBMFYSA-N 0 3 275.779 2.787 20 30 CFEDHN C#CC1(O)CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC000931151458 649387836 /nfs/dbraw/zinc/38/78/36/649387836.db2.gz VNHFHVCTAWFCOA-HNNXBMFYSA-N 0 3 275.779 2.787 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1CCC=C ZINC000931290431 649402197 /nfs/dbraw/zinc/40/21/97/649402197.db2.gz NWWAERGEPTUVDG-UHFFFAOYSA-N 0 3 299.418 2.882 20 30 CFEDHN C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C[C@H](O)CC#N ZINC000931529474 649447815 /nfs/dbraw/zinc/44/78/15/649447815.db2.gz VRQZJXDVELKEPK-CZUORRHYSA-N 0 3 294.345 2.636 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(F)cc1F)C(C)(C)C ZINC000932462681 649605575 /nfs/dbraw/zinc/60/55/75/649605575.db2.gz CHBIUMJQTWLDJV-AWEZNQCLSA-N 0 3 267.319 2.732 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc(SC)cc2)CCC1 ZINC000933301435 649686364 /nfs/dbraw/zinc/68/63/64/649686364.db2.gz QLKOXDKWVAIIJD-UHFFFAOYSA-N 0 3 288.416 2.883 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933655407 649711007 /nfs/dbraw/zinc/71/10/07/649711007.db2.gz FVVADTFWKPPRHY-FUHWJXTLSA-N 0 3 285.387 2.864 20 30 CFEDHN C=CCCCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933683623 649714229 /nfs/dbraw/zinc/71/42/29/649714229.db2.gz KGISCBVWLDEIQY-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN CN(CCCCCCO)Cc1cc(C#N)cs1 ZINC000933770182 649720523 /nfs/dbraw/zinc/72/05/23/649720523.db2.gz LHKRLADLUHTNSI-UHFFFAOYSA-N 0 3 252.383 2.604 20 30 CFEDHN CN(Cc1cc(C#N)cs1)CC1(O)CCCCC1 ZINC000933771054 649720574 /nfs/dbraw/zinc/72/05/74/649720574.db2.gz VKCBTDBZCKAZEF-UHFFFAOYSA-N 0 3 264.394 2.747 20 30 CFEDHN C=CCNC(=O)CN[C@@](C)(CCC)c1ccccc1 ZINC000934183695 649757297 /nfs/dbraw/zinc/75/72/97/649757297.db2.gz OMUARNZOIKWCQU-INIZCTEOSA-N 0 3 260.381 2.594 20 30 CFEDHN C=CCNC(=O)CN[C@](C)(CCC)c1ccccc1 ZINC000934183697 649757662 /nfs/dbraw/zinc/75/76/62/649757662.db2.gz OMUARNZOIKWCQU-MRXNPFEDSA-N 0 3 260.381 2.594 20 30 CFEDHN C[C@@H]1CN(CCCSCC#N)CCN1c1ccccc1 ZINC000934323599 649774101 /nfs/dbraw/zinc/77/41/01/649774101.db2.gz VFVOENXXQUGLNR-OAHLLOKOSA-N 0 3 289.448 2.844 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccco1 ZINC000934494176 649795056 /nfs/dbraw/zinc/79/50/56/649795056.db2.gz MSCLSHJKDXNDCY-AWEZNQCLSA-N 0 3 278.396 2.772 20 30 CFEDHN C#C[C@H]1CCCCN1Cc1cc2ccccc2n(C)c1=O ZINC000934516062 649796597 /nfs/dbraw/zinc/79/65/97/649796597.db2.gz BUKRFAZARNYVEJ-INIZCTEOSA-N 0 3 280.371 2.526 20 30 CFEDHN CSCC(C)(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934665098 649813260 /nfs/dbraw/zinc/81/32/60/649813260.db2.gz WMJWPLAZSGONAL-UHFFFAOYSA-N 0 3 279.365 2.698 20 30 CFEDHN C=CCN1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC000934667098 649813809 /nfs/dbraw/zinc/81/38/09/649813809.db2.gz XKLYGJSNIDXEBS-IUODEOHRSA-N 0 3 266.385 2.552 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007046658 651131424 /nfs/dbraw/zinc/13/14/24/651131424.db2.gz VWUUXPJVXPQOSU-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007367940 651133676 /nfs/dbraw/zinc/13/36/76/651133676.db2.gz KNYXENZTHIHERR-ARFHVFGLSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001007687876 651137670 /nfs/dbraw/zinc/13/76/70/651137670.db2.gz PJDGWUDFMITGDW-ZDUSSCGKSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001007666407 651137692 /nfs/dbraw/zinc/13/76/92/651137692.db2.gz PMAYQHRXEXBJIE-ZDUSSCGKSA-N 0 3 276.380 2.612 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001008351921 651147369 /nfs/dbraw/zinc/14/73/69/651147369.db2.gz YQZHVLKJDTVCFW-GOSISDBHSA-N 0 3 298.430 2.857 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008625707 651151380 /nfs/dbraw/zinc/15/13/80/651151380.db2.gz AWJMLQHCHROLEV-INIZCTEOSA-N 0 3 284.403 2.521 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001008669882 651151998 /nfs/dbraw/zinc/15/19/98/651151998.db2.gz GLHNPLBYBNABSY-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001008777957 651153527 /nfs/dbraw/zinc/15/35/27/651153527.db2.gz NSJOUQDHJYQYOA-HNNXBMFYSA-N 0 3 292.448 2.756 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009655269 651163551 /nfs/dbraw/zinc/16/35/51/651163551.db2.gz DDLHLWMNOJXBAK-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2oc(C(F)F)cc2C)C1 ZINC001014810056 651192234 /nfs/dbraw/zinc/19/22/34/651192234.db2.gz GBWFIRMVZQKVQF-LLVKDONJSA-N 0 3 298.333 2.906 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001014937355 651193918 /nfs/dbraw/zinc/19/39/18/651193918.db2.gz LGSVMOFCHSGFQP-WMZOPIPTSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001015126704 651195895 /nfs/dbraw/zinc/19/58/95/651195895.db2.gz MDPFZXTXYNOCKO-CQSZACIVSA-N 0 3 287.407 2.585 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015163318 651196561 /nfs/dbraw/zinc/19/65/61/651196561.db2.gz DIOAABQHSSMOBI-GFCCVEGCSA-N 0 3 296.773 2.859 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369351 651200021 /nfs/dbraw/zinc/20/00/21/651200021.db2.gz UBXFUVMVQGMNOY-YHUYYLMFSA-N 0 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RYSQTCGVFJWFQR-MRXNPFEDSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001016170882 651226608 /nfs/dbraw/zinc/22/66/08/651226608.db2.gz FMQNSXFTVFNLFQ-GOSISDBHSA-N 0 3 298.430 2.946 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001016165521 651226669 /nfs/dbraw/zinc/22/66/69/651226669.db2.gz TVEZMFRFSAGDFX-OAHLLOKOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001016267621 651228693 /nfs/dbraw/zinc/22/86/93/651228693.db2.gz XMVPGTQSPZJJMA-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001016358445 651231413 /nfs/dbraw/zinc/23/14/13/651231413.db2.gz ZAIJDMVOYVQDFL-ZDUSSCGKSA-N 0 3 299.374 2.516 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433919 651233948 /nfs/dbraw/zinc/23/39/48/651233948.db2.gz SGTAQUNWJDSIJF-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001017364538 651250941 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C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867605 782189858 /nfs/dbraw/zinc/18/98/58/782189858.db2.gz QQYXLDMGOOZDQV-OWCLPIDISA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935354 782206979 /nfs/dbraw/zinc/20/69/79/782206979.db2.gz CKTSWNKVXGTZQN-BZUAXINKSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995526 782232476 /nfs/dbraw/zinc/23/24/76/782232476.db2.gz OLUIUFNIMRGHDC-INIZCTEOSA-N 0 3 298.430 2.898 20 30 CFEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](F)C(C)C)CC1 ZINC001266388489 770061938 /nfs/dbraw/zinc/06/19/38/770061938.db2.gz FOBDCSZDHJQHHX-OAHLLOKOSA-N 0 3 284.419 2.870 20 30 CFEDHN C=CCCCCCCCN1CCC(O)=C(C(=O)OCC)C1 ZINC001209438616 770089868 /nfs/dbraw/zinc/08/98/68/770089868.db2.gz PRICCJGRIOTSRU-OAHLLOKOSA-N 0 3 295.423 2.967 20 30 CFEDHN CC/C=C(\C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001277766118 777803966 /nfs/dbraw/zinc/80/39/66/777803966.db2.gz BOLHGAKAGMVVOG-KGZWWPETSA-N 0 3 298.430 2.831 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C=C(C)CN1C[C@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001282793179 770146957 /nfs/dbraw/zinc/14/69/57/770146957.db2.gz XUNHJIPERAXOSY-ODDCISTRSA-N 0 3 276.424 2.745 20 30 CFEDHN C[C@H]1COCCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110380 770175269 /nfs/dbraw/zinc/17/52/69/770175269.db2.gz KVDMZQXEOAVVFO-GFCCVEGCSA-N 0 3 269.348 2.508 20 30 CFEDHN C#CCCCCC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001266519440 770260731 /nfs/dbraw/zinc/26/07/31/770260731.db2.gz LFUOGEGMZQQXSK-HNNXBMFYSA-N 0 3 290.432 2.632 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038136913 770295329 /nfs/dbraw/zinc/29/53/29/770295329.db2.gz MWLJNFWTVQTXDQ-CAOSSQGBSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001266549396 770312438 /nfs/dbraw/zinc/31/24/38/770312438.db2.gz UYEWFKHVQHNMEV-HNNXBMFYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(CCC)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001266572997 770357815 /nfs/dbraw/zinc/35/78/15/770357815.db2.gz DQAQJKLUMZFRCQ-FVQHAEBGSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(C)CN(CCNC(=O)Cc1cccc(C)c1)C1CC1 ZINC001266607186 770416692 /nfs/dbraw/zinc/41/66/92/770416692.db2.gz QHHJMGPZRSXPBN-UHFFFAOYSA-N 0 3 286.419 2.694 20 30 CFEDHN CC[C@H](C#N)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398118131 770456957 /nfs/dbraw/zinc/45/69/57/770456957.db2.gz GJEQTPCWCBKBTG-FVQBIDKESA-N 0 3 257.381 2.541 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001022064195 770613436 /nfs/dbraw/zinc/61/34/36/770613436.db2.gz AFXIQNURFMARGD-XQHKEYJVSA-N 0 3 288.794 2.504 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCC(F)F ZINC001266849811 770672264 /nfs/dbraw/zinc/67/22/64/770672264.db2.gz OKPRJONCQCZSMB-LBPRGKRZSA-N 0 3 274.355 2.579 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C[C@@H](C)OC ZINC001266856248 770682103 /nfs/dbraw/zinc/68/21/03/770682103.db2.gz MVZXPCJUSOVIQZ-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001266943252 770760508 /nfs/dbraw/zinc/76/05/08/770760508.db2.gz 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GFSFHWZXCCUNBB-UHFFFAOYSA-N 0 3 274.408 2.552 20 30 CFEDHN C=CCN(C)CCNC(=O)c1cc2c(s1)CCCCC2 ZINC001267230205 773232517 /nfs/dbraw/zinc/23/25/17/773232517.db2.gz VANDZGCBQAJXAM-UHFFFAOYSA-N 0 3 292.448 2.865 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc2cccc(C)c2o1 ZINC001267232546 773235319 /nfs/dbraw/zinc/23/53/19/773235319.db2.gz IODZNBSHIINLMQ-UHFFFAOYSA-N 0 3 286.375 2.979 20 30 CFEDHN Cc1nc(C)c(CN[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000724679509 773241027 /nfs/dbraw/zinc/24/10/27/773241027.db2.gz VOKMUQSDLMJPCP-JTQLQIEISA-N 0 3 254.337 2.749 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN1CC=C(C)C ZINC001267272426 775134763 /nfs/dbraw/zinc/13/47/63/775134763.db2.gz NHLVOAQVHWLNLK-AWEZNQCLSA-N 0 3 264.413 2.745 20 30 CFEDHN N#Cc1ccc(N2CC3(C2)CCN(Cc2ccc[nH]2)C3)cc1 ZINC001276960345 775144310 /nfs/dbraw/zinc/14/43/10/775144310.db2.gz GBMRQQUMPFAMQI-UHFFFAOYSA-N 0 3 292.386 2.599 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1ccc(Cl)cc1 ZINC001276963738 775156209 /nfs/dbraw/zinc/15/62/09/775156209.db2.gz LXHBXXIBJDCENQ-OAHLLOKOSA-N 0 3 292.810 2.649 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC(C)C ZINC001224579982 775222875 /nfs/dbraw/zinc/22/28/75/775222875.db2.gz RIVIUTMUDWHCHO-CHWSQXEVSA-N 0 3 272.820 2.802 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001267306678 775183143 /nfs/dbraw/zinc/18/31/43/775183143.db2.gz KBBMYPAISSJFDE-HZPDHXFCSA-N 0 3 278.440 2.520 20 30 CFEDHN CCCC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224498713 775205912 /nfs/dbraw/zinc/20/59/12/775205912.db2.gz PACBBBTUOMVZOL-QZTJIDSGSA-N 0 3 298.430 2.855 20 30 CFEDHN C=CCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224509227 775206789 /nfs/dbraw/zinc/20/67/89/775206789.db2.gz HUBJGFKTEKLGSS-GASCZTMLSA-N 0 3 253.386 2.613 20 30 CFEDHN C[Si](C)(C)C#CCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224616794 775227912 /nfs/dbraw/zinc/22/79/12/775227912.db2.gz XNXXNVZYVIUUBI-WKILWMFISA-N 0 3 295.499 2.527 20 30 CFEDHN Cc1cc(CNCCN(C)C(=O)C#CC(C)(C)C)cs1 ZINC001267371150 775266932 /nfs/dbraw/zinc/26/69/32/775266932.db2.gz 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YXCVZWHGTFEZGF-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001267454971 775334052 /nfs/dbraw/zinc/33/40/52/775334052.db2.gz TUIBNLLRFIBFFW-MRXNPFEDSA-N 0 3 276.424 2.986 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](CC)CC(C)C)CC1 ZINC001225110457 775353821 /nfs/dbraw/zinc/35/38/21/775353821.db2.gz SEHGFYKIHDURSJ-MRXNPFEDSA-N 0 3 278.440 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CCCC2CC2)C1 ZINC001267473899 775371767 /nfs/dbraw/zinc/37/17/67/775371767.db2.gz GGXJLVDSWOQYEH-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H](C)CCC)C1 ZINC001267537266 775444931 /nfs/dbraw/zinc/44/49/31/775444931.db2.gz HAOGYDOEAYEYST-HZPDHXFCSA-N 0 3 278.440 2.759 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267543693 775452427 /nfs/dbraw/zinc/45/24/27/775452427.db2.gz JDVBSUFMQXUBLS-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001267545983 775455364 /nfs/dbraw/zinc/45/53/64/775455364.db2.gz GJRDKOWIOOLODH-LTIDMASMSA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001225611248 775522002 /nfs/dbraw/zinc/52/20/02/775522002.db2.gz MVIAZTMQNUVZAC-QGZVFWFLSA-N 0 3 292.467 2.910 20 30 CFEDHN N#Cc1ccc2cc(-n3nc(CN)c4ccccc43)ccc2n1 ZINC001167701711 775538190 /nfs/dbraw/zinc/53/81/90/775538190.db2.gz SHQRNTKHLUBQOI-UHFFFAOYSA-N 0 3 299.337 2.904 20 30 CFEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001025187735 775560111 /nfs/dbraw/zinc/56/01/11/775560111.db2.gz CRKJVQHFDVEDGP-UONOGXRCSA-N 0 3 282.403 2.766 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025190878 775563909 /nfs/dbraw/zinc/56/39/09/775563909.db2.gz CEXCMFFASYFACU-CVEARBPZSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025259551 775580688 /nfs/dbraw/zinc/58/06/88/775580688.db2.gz OMHLCZDLZRTYPL-HZPDHXFCSA-N 0 3 290.451 2.901 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001225912221 775632784 /nfs/dbraw/zinc/63/27/84/775632784.db2.gz FDQOJFZPKWWRTO-ZIAGYGMSSA-N 0 3 282.815 2.559 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412368 775647844 /nfs/dbraw/zinc/64/78/44/775647844.db2.gz STNGSQFJLGRIOQ-LSDHHAIUSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC001025544699 775694766 /nfs/dbraw/zinc/69/47/66/775694766.db2.gz ZBFQIBIKHPJWCS-MAUKXSAKSA-N 0 3 296.414 2.793 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C#CC(C)(C)C ZINC001226134446 775711652 /nfs/dbraw/zinc/71/16/52/775711652.db2.gz XKOUZWAFHYRJEE-ZIAGYGMSSA-N 0 3 296.842 2.805 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001283723279 775734197 /nfs/dbraw/zinc/73/41/97/775734197.db2.gz OMQVFBOHXMCRGX-HOTGVXAUSA-N 0 3 286.419 2.558 20 30 CFEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)C/C=C\Cl)C2)C1 ZINC001267684972 775776110 /nfs/dbraw/zinc/77/61/10/775776110.db2.gz VRBHFUNGTNEMRA-SDQPKGBYSA-N 0 3 296.842 2.876 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCCC1 ZINC000122634916 775783888 /nfs/dbraw/zinc/78/38/88/775783888.db2.gz XBLXXRWBIYDUQE-GFCCVEGCSA-N 0 3 267.332 2.940 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C ZINC001267700510 775790373 /nfs/dbraw/zinc/79/03/73/775790373.db2.gz QPIAFFPNTBNQMB-QEJZJMRPSA-N 0 3 288.391 2.841 20 30 CFEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CSCCC ZINC001267704357 775791740 /nfs/dbraw/zinc/79/17/40/775791740.db2.gz NRWDYRFDAYVVLA-ILXRZTDVSA-N 0 3 296.480 2.769 20 30 CFEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC(F)(F)C1 ZINC001267704150 775792387 /nfs/dbraw/zinc/79/23/87/775792387.db2.gz HBFJLBCAVCIPIS-RDBSUJKOSA-N 0 3 298.377 2.673 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001267740865 775856016 /nfs/dbraw/zinc/85/60/16/775856016.db2.gz XSTOZWKOHKLOPI-GOSISDBHSA-N 0 3 298.430 2.797 20 30 CFEDHN C#CCCCCCC(=O)N(C)[C@@H]1CCN(CC(=C)C)C1 ZINC001267767060 775899445 /nfs/dbraw/zinc/89/94/45/775899445.db2.gz CLHJCKQUSCDYGO-MRXNPFEDSA-N 0 3 276.424 2.679 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001267774961 775915470 /nfs/dbraw/zinc/91/54/70/775915470.db2.gz MIULXYQNQKWQOR-INIZCTEOSA-N 0 3 278.440 2.759 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267776226 775918586 /nfs/dbraw/zinc/91/85/86/775918586.db2.gz HSGLTLBGCRVEOQ-CABCVRRESA-N 0 3 266.429 2.777 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)CCCCCC)C1 ZINC001267777986 775919669 /nfs/dbraw/zinc/91/96/69/775919669.db2.gz UOXHVCZNYFHQQO-HNNXBMFYSA-N 0 3 264.413 2.513 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)CC(C)(C)C=C)C1 ZINC001267787000 775932254 /nfs/dbraw/zinc/93/22/54/775932254.db2.gz SZTRFJKXRSVPDM-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN Cc1cc(O[C@@H]2CN3CCC2CC3)cc(C)c1C#N ZINC001226831162 775984535 /nfs/dbraw/zinc/98/45/35/775984535.db2.gz HQQQMNOTWDGPDC-MRXNPFEDSA-N 0 3 256.349 2.648 20 30 CFEDHN C=CCCCCCCN1CC2(C[C@@H]2C(=O)N(C)C)C1 ZINC001277159859 775989108 /nfs/dbraw/zinc/98/91/08/775989108.db2.gz NVDZSEHCGLCGCR-CQSZACIVSA-N 0 3 264.413 2.533 20 30 CFEDHN C#CCCCCC(=O)N[C@]1(CNCCF)CCCC[C@@H]1C ZINC001267867556 775999498 /nfs/dbraw/zinc/99/94/98/775999498.db2.gz UWCAXQKXWZQXKU-RDJZCZTQSA-N 0 3 296.430 2.804 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)c2cccc(C)c2)cc1 ZINC001267933776 776064848 /nfs/dbraw/zinc/06/48/48/776064848.db2.gz MMGZWBVWKKRFEI-UHFFFAOYSA-N 0 3 292.382 2.648 20 30 CFEDHN C=C(Cl)CNC1CC(CNC(=O)CCC2(C)CC2)C1 ZINC001100819060 776092725 /nfs/dbraw/zinc/09/27/25/776092725.db2.gz CCTIODXFQCPGSB-UHFFFAOYSA-N 0 3 284.831 2.804 20 30 CFEDHN C=CCCC(=O)NC[C@@H](C)CNCc1nc(C)c(C)s1 ZINC001267981261 776158684 /nfs/dbraw/zinc/15/86/84/776158684.db2.gz NZZUJJRFNCEETF-NSHDSACASA-N 0 3 295.452 2.568 20 30 CFEDHN C[NH+](C)[C@H]1CC[C@H](Oc2cc(C#N)ccc2[O-])CC1 ZINC001227350552 776182689 /nfs/dbraw/zinc/18/26/89/776182689.db2.gz ODABGVOGBGWLIH-JOCQHMNTSA-N 0 3 260.337 2.515 20 30 CFEDHN C#CCCCCC(=O)NCCNCc1cc2ccccc2o1 ZINC001125967409 776195955 /nfs/dbraw/zinc/19/59/55/776195955.db2.gz VPIJHYGGRJVNDA-UHFFFAOYSA-N 0 3 298.386 2.832 20 30 CFEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N(C)CCOC ZINC001277226453 776248316 /nfs/dbraw/zinc/24/83/16/776248316.db2.gz XFNDNEZQJPVRJF-WBVHZDCISA-N 0 3 296.455 2.526 20 30 CFEDHN N#CC(C(=O)C=Cc1cccs1)C(=O)Nc1ccccn1 ZINC000125135528 776253178 /nfs/dbraw/zinc/25/31/78/776253178.db2.gz NHMHHABUKOEQMQ-NNNHXZLVSA-N 0 3 297.339 2.504 20 30 CFEDHN CCN1CC[C@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227790439 776291684 /nfs/dbraw/zinc/29/16/84/776291684.db2.gz VSXBXMOSQVDQTC-JTQLQIEISA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC001027487946 776334707 /nfs/dbraw/zinc/33/47/07/776334707.db2.gz HSUNRQPOXJHYHR-INIZCTEOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCCCCCC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001227972521 776345524 /nfs/dbraw/zinc/34/55/24/776345524.db2.gz AVNJIHFTNJWZCZ-HUUCEWRRSA-N 0 3 282.403 2.557 20 30 CFEDHN Cc1cc(O[C@@H]2CN3CCC2CC3)c(C)cc1C#N ZINC001228146794 776409788 /nfs/dbraw/zinc/40/97/88/776409788.db2.gz GXAAZAYNDXOIJN-MRXNPFEDSA-N 0 3 256.349 2.648 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001027691977 776409771 /nfs/dbraw/zinc/40/97/71/776409771.db2.gz XNEVXJJETCRJHM-ROUUACIJSA-N 0 3 296.414 2.512 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC001027698481 776412468 /nfs/dbraw/zinc/41/24/68/776412468.db2.gz KWXMBMUGBVGEJS-AWEZNQCLSA-N 0 3 288.391 2.573 20 30 CFEDHN COc1c(F)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001143522733 776445242 /nfs/dbraw/zinc/44/52/42/776445242.db2.gz BUEVNGDTBMGGBN-CYBMUJFWSA-N 0 3 293.363 2.608 20 30 CFEDHN C=C(C)CCN1CCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001027785302 776451811 /nfs/dbraw/zinc/45/18/11/776451811.db2.gz PPRYMVZAPRTPOL-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811511 776459033 /nfs/dbraw/zinc/45/90/33/776459033.db2.gz IMDAKQBDYAIINZ-ZDUSSCGKSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@H](C)C(C)(F)F ZINC001277299532 776489068 /nfs/dbraw/zinc/48/90/68/776489068.db2.gz VKOIJRDUUWEPTG-QWRGUYRKSA-N 0 3 296.789 2.905 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001028004572 776550761 /nfs/dbraw/zinc/55/07/61/776550761.db2.gz GIASQMOGFGSNMF-ZDUSSCGKSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC001028007387 776553571 /nfs/dbraw/zinc/55/35/71/776553571.db2.gz JSRWPNBEBADVSS-CQSZACIVSA-N 0 3 295.386 2.615 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001028009227 776553810 /nfs/dbraw/zinc/55/38/10/776553810.db2.gz KPAQGSAGKNPXHR-CQSZACIVSA-N 0 3 290.432 2.582 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001028017937 776558248 /nfs/dbraw/zinc/55/82/48/776558248.db2.gz HZBXVKLDXFMUDN-KRWDZBQOSA-N 0 3 298.430 2.857 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028031275 776564683 /nfs/dbraw/zinc/56/46/83/776564683.db2.gz DKXGETCGSSOLTI-ZIFCJYIRSA-N 0 3 298.430 2.731 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028046048 776570833 /nfs/dbraw/zinc/57/08/33/776570833.db2.gz XGKWJKJCCTYSBQ-LUKYLMHMSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001028052853 776574062 /nfs/dbraw/zinc/57/40/62/776574062.db2.gz OEHNOJGYYXBVEI-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCOCc1cccc(NCCN2CCSCC2)c1 ZINC001167839462 776590599 /nfs/dbraw/zinc/59/05/99/776590599.db2.gz OTFDQTUCILRGPS-UHFFFAOYSA-N 0 3 292.448 2.850 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001028088986 776605897 /nfs/dbraw/zinc/60/58/97/776605897.db2.gz SKFJIOGMGIYJTG-OAHLLOKOSA-N 0 3 289.423 2.758 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028115031 776635538 /nfs/dbraw/zinc/63/55/38/776635538.db2.gz VHYZMEFGSWCKKX-INIZCTEOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123257 776642889 /nfs/dbraw/zinc/64/28/89/776642889.db2.gz PMVSRVGYGPNDHJ-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038883613 776642970 /nfs/dbraw/zinc/64/29/70/776642970.db2.gz DEQRWZDVZYVANI-HUUCEWRRSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)C(=O)OC[C@@H](C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936847 776663902 /nfs/dbraw/zinc/66/39/02/776663902.db2.gz OKDWIRNVZWHILN-CYBMUJFWSA-N 0 3 289.375 2.561 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001028203057 776706981 /nfs/dbraw/zinc/70/69/81/776706981.db2.gz OCHDLHLSDNBNTB-AWEZNQCLSA-N 0 3 293.798 2.505 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)C[C@H]1CCCCO1 ZINC001268249702 776720968 /nfs/dbraw/zinc/72/09/68/776720968.db2.gz CQADRSINGSZJHJ-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)[C@@H](C)CC ZINC001268252537 776722642 /nfs/dbraw/zinc/72/26/42/776722642.db2.gz UIOGHSVATLIKDL-KBPBESRZSA-N 0 3 254.418 2.635 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001028232170 776735445 /nfs/dbraw/zinc/73/54/45/776735445.db2.gz DHFBPBWLGUTROP-AWEZNQCLSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001028242925 776745299 /nfs/dbraw/zinc/74/52/99/776745299.db2.gz JOXRQITZSXWHHV-SNVBAGLBSA-N 0 3 299.827 2.567 20 30 CFEDHN C[C@H](CS)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229305496 776773849 /nfs/dbraw/zinc/77/38/49/776773849.db2.gz YVDZPWLSXFJOLY-LLVKDONJSA-N 0 3 267.394 2.518 20 30 CFEDHN C#CC[C@@H](C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303361 776774271 /nfs/dbraw/zinc/77/42/71/776774271.db2.gz SGVXNWPFQNJGRK-CYBMUJFWSA-N 0 3 259.349 2.612 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028308287 776851573 /nfs/dbraw/zinc/85/15/73/776851573.db2.gz BXQVSLVYORAIBF-GOSISDBHSA-N 0 3 298.430 2.946 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1sccc1CC ZINC001028331542 776856668 /nfs/dbraw/zinc/85/66/68/776856668.db2.gz HNJRKCRJMZAEME-CQSZACIVSA-N 0 3 290.432 2.528 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028338581 776862352 /nfs/dbraw/zinc/86/23/52/776862352.db2.gz CUCCWGOVOSEVTO-OAHLLOKOSA-N 0 3 298.430 2.864 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028340491 776864344 /nfs/dbraw/zinc/86/43/44/776864344.db2.gz 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DPQSOSGVILSTMO-CHWSQXEVSA-N 0 3 270.392 2.622 20 30 CFEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C=C1CCC1 ZINC001268722986 777033417 /nfs/dbraw/zinc/03/34/17/777033417.db2.gz CUVDZNPQWGBIED-CQSZACIVSA-N 0 3 297.402 2.605 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1cccc2scnc21 ZINC001268729154 777036249 /nfs/dbraw/zinc/03/62/49/777036249.db2.gz CWEBUCYOOSBDPN-NSHDSACASA-N 0 3 289.404 2.532 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1scnc1C(C)(C)C ZINC001268750853 777043809 /nfs/dbraw/zinc/04/38/09/777043809.db2.gz PRSVYXGSWSCXBX-LLVKDONJSA-N 0 3 295.452 2.677 20 30 CFEDHN C=CCCC(=O)N(C)CCCNCc1cc(F)ccc1F ZINC001268783213 777054179 /nfs/dbraw/zinc/05/41/79/777054179.db2.gz DEZNVVHFQYIGQG-UHFFFAOYSA-N 0 3 296.361 2.869 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)/C=C(/C)CC ZINC001268792461 777055369 /nfs/dbraw/zinc/05/53/69/777055369.db2.gz UTENFDLPOOWMKK-LUAWRHEFSA-N 0 3 258.793 2.533 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)CCCC(C)=O ZINC001230757916 777057185 /nfs/dbraw/zinc/05/71/85/777057185.db2.gz 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C=C(C)CN1CCC[C@@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001270932701 777608742 /nfs/dbraw/zinc/60/87/42/777608742.db2.gz PATHKYXHNDOYRA-KRWDZBQOSA-N 0 3 294.439 2.540 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(CCO)cc1 ZINC001232778708 777663636 /nfs/dbraw/zinc/66/36/36/777663636.db2.gz XLYAKEPIAYEPHV-UHFFFAOYSA-N 0 3 280.371 2.725 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087595698 777664234 /nfs/dbraw/zinc/66/42/34/777664234.db2.gz QLXHKSGTKRLZEM-RWMBFGLXSA-N 0 3 286.366 2.577 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1CC ZINC001087633182 777670619 /nfs/dbraw/zinc/67/06/19/777670619.db2.gz PNZFTMRFNWRYLP-UONOGXRCSA-N 0 3 282.403 2.814 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1CC ZINC001087748679 777692840 /nfs/dbraw/zinc/69/28/40/777692840.db2.gz VMOKEVAUQWLJHS-DLBZAZTESA-N 0 3 297.402 2.708 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087752319 777694305 /nfs/dbraw/zinc/69/43/05/777694305.db2.gz BXPKNGHGNGFKIG-VSZNYVQBSA-N 0 3 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778033067 /nfs/dbraw/zinc/03/30/67/778033067.db2.gz FNJDDBIKIMQSEQ-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C)(C)SCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000127369789 778111481 /nfs/dbraw/zinc/11/14/81/778111481.db2.gz SVYFGRRQCPPBJR-GFCCVEGCSA-N 0 3 296.436 2.676 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001233965389 778125193 /nfs/dbraw/zinc/12/51/93/778125193.db2.gz BXTHXVBGSGOQLO-KRWDZBQOSA-N 0 3 288.435 2.823 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001234059511 778155050 /nfs/dbraw/zinc/15/50/50/778155050.db2.gz NBOKYQSVRAOHFE-CQSZACIVSA-N 0 3 289.423 2.690 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC001272019867 778155173 /nfs/dbraw/zinc/15/51/73/778155173.db2.gz CRJJCFJHTUASST-GJZGRUSLSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088490886 778164016 /nfs/dbraw/zinc/16/40/16/778164016.db2.gz YDVYIJNQHKJIKX-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234098652 778165670 /nfs/dbraw/zinc/16/56/70/778165670.db2.gz FPULFHHFFKYACB-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN CCC/C=C/CCN1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234159403 778178799 /nfs/dbraw/zinc/17/87/99/778178799.db2.gz AMHSYCBOUGZIRW-OZSKJFCKSA-N 0 3 290.451 2.925 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206424 778186240 /nfs/dbraw/zinc/18/62/40/778186240.db2.gz PTMGMXYXCBZKFY-OAHLLOKOSA-N 0 3 276.424 2.535 20 30 CFEDHN COc1cc(/C=C\C(C)=O)ccc1OC1CCN(C)CC1 ZINC001234334834 778210848 /nfs/dbraw/zinc/21/08/48/778210848.db2.gz IDDJTSHLKOZLMV-PLNGDYQASA-N 0 3 289.375 2.770 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565212 778263552 /nfs/dbraw/zinc/26/35/52/778263552.db2.gz HDRFMTFKSIPDNL-OAGGEKHMSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC001088590196 778310418 /nfs/dbraw/zinc/31/04/18/778310418.db2.gz OLBQTPHUDILTBA-DOMZBBRYSA-N 0 3 290.432 2.581 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H]1C ZINC001088594694 778313527 /nfs/dbraw/zinc/31/35/27/778313527.db2.gz XFPATIPDPSURNE-KGLIPLIRSA-N 0 3 290.432 2.581 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001272098729 778343535 /nfs/dbraw/zinc/34/35/35/778343535.db2.gz VVCJPEYHKILOBK-UHFFFAOYSA-N 0 3 292.810 2.676 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@H](CC)CC(C)C ZINC001272145353 778362773 /nfs/dbraw/zinc/36/27/73/778362773.db2.gz MCJCKPHJHWMWQN-CQSZACIVSA-N 0 3 254.418 2.635 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1ccc(C)c(C)c1 ZINC001272164951 778364789 /nfs/dbraw/zinc/36/47/89/778364789.db2.gz IWRFKSAFPZRABE-UHFFFAOYSA-N 0 3 288.435 2.812 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C[C@H](C=C)c1ccccc1 ZINC001272179109 778368437 /nfs/dbraw/zinc/36/84/37/778368437.db2.gz XFNPKISGQGDUCR-KRWDZBQOSA-N 0 3 298.430 2.760 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC001075937638 778379660 /nfs/dbraw/zinc/37/96/60/778379660.db2.gz XFGKTNRMFGHAPI-YESZJQIVSA-N 0 3 288.435 2.842 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)CCc2cccs2)CC1 ZINC000989636630 778420280 /nfs/dbraw/zinc/42/02/80/778420280.db2.gz NPOGNARFIRGFKX-UHFFFAOYSA-N 0 3 292.448 2.791 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000989630646 778420932 /nfs/dbraw/zinc/42/09/32/778420932.db2.gz VXSPEKAMLDNSDM-GXTWGEPZSA-N 0 3 288.391 2.537 20 30 CFEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000127942515 778457407 /nfs/dbraw/zinc/45/74/07/778457407.db2.gz DJTKRGRJYHNDPI-GFCCVEGCSA-N 0 3 299.355 2.721 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC/C=C/c1ccccc1 ZINC001277938022 778459536 /nfs/dbraw/zinc/45/95/36/778459536.db2.gz NBVZXFROEAJGQW-VEMDQMBVSA-N 0 3 298.430 2.940 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1C ZINC001088759238 778478642 /nfs/dbraw/zinc/47/86/42/778478642.db2.gz NZXWLHUVUYYVPW-OEAJRASXSA-N 0 3 276.424 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801474 778501468 /nfs/dbraw/zinc/50/14/68/778501468.db2.gz DNECZOHKMGXYCW-RDBSUJKOSA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3c[nH]c4ccccc34)[C@@H]2C1 ZINC001076001477 778511584 /nfs/dbraw/zinc/51/15/84/778511584.db2.gz ZDKNUORCRYRNNP-SUMWQHHRSA-N 0 3 295.386 2.500 20 30 CFEDHN Cc1nnc(C2CCN(Cc3ccccc3CC#N)CC2)o1 ZINC001235526052 778512128 /nfs/dbraw/zinc/51/21/28/778512128.db2.gz VNNWBWXNCFHODE-UHFFFAOYSA-N 0 3 296.374 2.824 20 30 CFEDHN CC(C)N(C)CC(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001142588076 778513454 /nfs/dbraw/zinc/51/34/54/778513454.db2.gz IDVDZBVVEGKNFK-UHFFFAOYSA-N 0 3 298.430 2.617 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088812702 778517793 /nfs/dbraw/zinc/51/77/93/778517793.db2.gz OGQMYQIBMWHNCM-OCCSQVGLSA-N 0 3 264.413 2.578 20 30 CFEDHN Cc1ccnc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001235582552 778519188 /nfs/dbraw/zinc/51/91/88/778519188.db2.gz YRAGOLATVMSBLI-LBPRGKRZSA-N 0 3 294.807 2.818 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235701762 778541771 /nfs/dbraw/zinc/54/17/71/778541771.db2.gz PWMRJLKDBLDZMO-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN N#Cc1ccc(F)cc1CN1CCN[C@H](c2ccccc2)C1 ZINC001235853990 778581392 /nfs/dbraw/zinc/58/13/92/778581392.db2.gz CYUPHUUKZHUWRV-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001076448313 778590170 /nfs/dbraw/zinc/59/01/70/778590170.db2.gz MPQGWDUUXVBJCF-HYVNUMGLSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCSC ZINC001224686989 778626569 /nfs/dbraw/zinc/62/65/69/778626569.db2.gz LKEWYKBDYWBCJD-VXGBXAGGSA-N 0 3 290.860 2.509 20 30 CFEDHN C#Cc1cccc(CN2CCc3cc(N)ccc3C2)c1 ZINC001236106368 778696505 /nfs/dbraw/zinc/69/65/05/778696505.db2.gz SZKHWOACXQUGON-UHFFFAOYSA-N 0 3 262.356 2.808 20 30 CFEDHN CC(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129461731 778727628 /nfs/dbraw/zinc/72/76/28/778727628.db2.gz KYNMXJREVSOGFC-MRXNPFEDSA-N 0 3 298.386 2.730 20 30 CFEDHN C#CCOc1ccc(CN2CCc3c(N)cccc3C2)cc1 ZINC001236363149 778792863 /nfs/dbraw/zinc/79/28/63/778792863.db2.gz HVYBYVAYKMBFBX-UHFFFAOYSA-N 0 3 292.382 2.839 20 30 CFEDHN COCCN(C)Cc1ccnc(-c2ccc(C#N)cc2F)c1 ZINC001236527561 778861970 /nfs/dbraw/zinc/86/19/70/778861970.db2.gz NTEXFMJMMYZLGK-UHFFFAOYSA-N 0 3 299.349 2.838 20 30 CFEDHN Cc1cc(Cl)cc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001236633600 778899555 /nfs/dbraw/zinc/89/95/55/778899555.db2.gz UCXWMOSWAPRGKD-CYBMUJFWSA-N 0 3 294.807 2.818 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccsc2C)[C@H]1C ZINC001088900920 778942053 /nfs/dbraw/zinc/94/20/53/778942053.db2.gz LLUKLPRASZPNKR-DOMZBBRYSA-N 0 3 292.448 2.754 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H]1C ZINC001088905103 778942904 /nfs/dbraw/zinc/94/29/04/778942904.db2.gz JEXWAHMMRKFJBQ-KFWWJZLASA-N 0 3 290.407 2.847 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088998078 778972181 /nfs/dbraw/zinc/97/21/81/778972181.db2.gz ZYQYDJKNPKVUHT-DOMZBBRYSA-N 0 3 290.794 2.556 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H]1C ZINC001089011253 778974210 /nfs/dbraw/zinc/97/42/10/778974210.db2.gz REYOSPWAACUYFB-KGLIPLIRSA-N 0 3 292.448 2.672 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC001089031390 778979289 /nfs/dbraw/zinc/97/92/89/778979289.db2.gz GPFXLGOYTDHAII-DYVFJYSZSA-N 0 3 284.403 2.554 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089065551 778984461 /nfs/dbraw/zinc/98/44/61/778984461.db2.gz POXNBGLWSAEBKT-HIFRSBDPSA-N 0 3 278.440 2.968 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075771 778990273 /nfs/dbraw/zinc/99/02/73/778990273.db2.gz SKYROWXPMSCZPE-CJNGLKHVSA-N 0 3 296.370 2.649 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@H]12 ZINC000992237889 779054882 /nfs/dbraw/zinc/05/48/82/779054882.db2.gz BGFSEAQCPXRSIT-XLMAVXFVSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@@H]3C[C@@]32C(=O)N(C)C)CC1 ZINC001278072784 779059750 /nfs/dbraw/zinc/05/97/50/779059750.db2.gz KATQZWTYWAQSRQ-NUJGCVRESA-N 0 3 288.435 2.842 20 30 CFEDHN CC[C@@H](C)CN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272423504 779092631 /nfs/dbraw/zinc/09/26/31/779092631.db2.gz VPSZDMQGAKWKMI-WBVHZDCISA-N 0 3 291.439 2.793 20 30 CFEDHN CC[C@@H](C)CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272423501 779092651 /nfs/dbraw/zinc/09/26/51/779092651.db2.gz VPSZDMQGAKWKMI-NVXWUHKLSA-N 0 3 291.439 2.793 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046229453 779108670 /nfs/dbraw/zinc/10/86/70/779108670.db2.gz QPZYRGPPTDKISH-HWMZRRJGSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(CC(=O)OCC)cc1 ZINC001237482763 779118345 /nfs/dbraw/zinc/11/83/45/779118345.db2.gz XRWIELCBUONUMU-UHFFFAOYSA-N 0 3 273.376 2.966 20 30 CFEDHN N#C[C@H]1CCCN(Cc2cccc3c2OCC3)CC1 ZINC001237750170 779174347 /nfs/dbraw/zinc/17/43/47/779174347.db2.gz YJYNAWBKAOTBJB-ZDUSSCGKSA-N 0 3 256.349 2.747 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089303823 779178561 /nfs/dbraw/zinc/17/85/61/779178561.db2.gz UCLOOHYQRPEWEO-CQSZACIVSA-N 0 3 288.391 2.523 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1cc(C)oc1C ZINC001168457159 779184406 /nfs/dbraw/zinc/18/44/06/779184406.db2.gz BPZUWOJHMIOLPO-GFCCVEGCSA-N 0 3 298.814 2.848 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000176536026 779218548 /nfs/dbraw/zinc/21/85/48/779218548.db2.gz QTDWJJUVGHQANA-AWEZNQCLSA-N 0 3 286.331 2.699 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)CC(C)(C)C1 ZINC001089317409 779227893 /nfs/dbraw/zinc/22/78/93/779227893.db2.gz UIMSSDZYHFVMTD-CVEARBPZSA-N 0 3 288.435 2.583 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089317094 779228419 /nfs/dbraw/zinc/22/84/19/779228419.db2.gz HKEWPNKAKCKJTC-HNNXBMFYSA-N 0 3 288.391 2.523 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cccc(N3CCCCC3)n2)C1 ZINC001238001660 779228882 /nfs/dbraw/zinc/22/88/82/779228882.db2.gz AHZMXHLVKXNQQM-INIZCTEOSA-N 0 3 283.419 2.917 20 30 CFEDHN O=C1C=C2CN(Cc3cnc(F)cc3Cl)CCC2S1 ZINC001238017930 779233472 /nfs/dbraw/zinc/23/34/72/779233472.db2.gz HUPDLIIEGITBSE-NSHDSACASA-N 0 3 298.770 2.648 20 30 CFEDHN COc1cc(CN2CCC[C@@H](F)CC2)ccc1C#N ZINC001238409000 779307947 /nfs/dbraw/zinc/30/79/47/779307947.db2.gz AOKKGIWYXGETIN-CQSZACIVSA-N 0 3 262.328 2.891 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001272624390 779350960 /nfs/dbraw/zinc/35/09/60/779350960.db2.gz KNUHGWZJGIIDAK-LBPRGKRZSA-N 0 3 272.820 2.613 20 30 CFEDHN C#CCN(C)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238650010 779356597 /nfs/dbraw/zinc/35/65/97/779356597.db2.gz ILHAECIVOAWKFK-UHFFFAOYSA-N 0 3 266.344 2.822 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC001272637042 779359402 /nfs/dbraw/zinc/35/94/02/779359402.db2.gz HKXQLCUZACHRKK-CHWSQXEVSA-N 0 3 270.804 2.580 20 30 CFEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)CCCC)[C@H](OC)C1 ZINC001212210599 779380457 /nfs/dbraw/zinc/38/04/57/779380457.db2.gz CFWKRHTWGUSJDJ-BZUAXINKSA-N 0 3 296.455 2.594 20 30 CFEDHN CCc1cc(CN2CC[C@@H]3CCO[C@H]3C2)ccc1C#N ZINC001238760153 779383043 /nfs/dbraw/zinc/38/30/43/779383043.db2.gz FITWGZJIZHHSGM-WBVHZDCISA-N 0 3 270.376 2.731 20 30 CFEDHN CC[C@H](C)C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001272658604 779417065 /nfs/dbraw/zinc/41/70/65/779417065.db2.gz ZWYUSGPLVUGKLE-KBPBESRZSA-N 0 3 287.407 2.589 20 30 CFEDHN CC[C@@H](C)C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001272658607 779417694 /nfs/dbraw/zinc/41/76/94/779417694.db2.gz ZWYUSGPLVUGKLE-ZIAGYGMSSA-N 0 3 287.407 2.589 20 30 CFEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1ccc[nH]1 ZINC001272660953 779423839 /nfs/dbraw/zinc/42/38/39/779423839.db2.gz BOOHBUHLGCXLTQ-UHFFFAOYSA-N 0 3 297.402 2.953 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(F)CCCC2)CC(C)(C)C1 ZINC001089425700 779464926 /nfs/dbraw/zinc/46/49/26/779464926.db2.gz DAVSBGJAOOBYBY-AWEZNQCLSA-N 0 3 294.414 2.509 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CC=CC2)CC(C)(C)C1 ZINC001089483196 779493747 /nfs/dbraw/zinc/49/37/47/779493747.db2.gz GPRGVFPVIFXWIC-HNNXBMFYSA-N 0 3 288.435 2.583 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001089622306 779547241 /nfs/dbraw/zinc/54/72/41/779547241.db2.gz FZUHIJSDODAISM-CQSZACIVSA-N 0 3 289.423 2.730 20 30 CFEDHN Cc1cccc([O-])c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237488078 779689759 /nfs/dbraw/zinc/68/97/59/779689759.db2.gz QQVHKIBJGKWHGS-ZSOGYDGISA-N 0 3 256.349 2.967 20 30 CFEDHN Cc1cccc([O-])c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237488078 779689764 /nfs/dbraw/zinc/68/97/64/779689764.db2.gz QQVHKIBJGKWHGS-ZSOGYDGISA-N 0 3 256.349 2.967 20 30 CFEDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238198488 779761858 /nfs/dbraw/zinc/76/18/58/779761858.db2.gz KTKADQLFGBBNFU-CQSZACIVSA-N 0 3 278.783 2.947 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001032274625 779803266 /nfs/dbraw/zinc/80/32/66/779803266.db2.gz IYIVIOPFSNTXCR-JYJNAYRXSA-N 0 3 274.408 2.594 20 30 CFEDHN C=CCCC(=O)N[C@]12CCC[C@H]1CN(C[C@@H](F)CC)C2 ZINC001111650164 779849758 /nfs/dbraw/zinc/84/97/58/779849758.db2.gz HZOKOYUVFSHMNK-DZKIICNBSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccsc2C)C1 ZINC001098825643 779866090 /nfs/dbraw/zinc/86/60/90/779866090.db2.gz RGRXVUQVXFQQEU-BBRMVZONSA-N 0 3 290.432 2.827 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001032438433 779956857 /nfs/dbraw/zinc/95/68/57/779956857.db2.gz YMJLWHPPPULVKF-IHRRRGAJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(F)(F)C1 ZINC001032483483 779975497 /nfs/dbraw/zinc/97/54/97/779975497.db2.gz QXJPQCLTOFLNHX-KBPBESRZSA-N 0 3 298.377 2.673 20 30 CFEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)CC)cc1 ZINC001032554780 780029131 /nfs/dbraw/zinc/02/91/31/780029131.db2.gz MAQANRSGHWJOSZ-JLSDUUJJSA-N 0 3 296.414 2.613 20 30 CFEDHN C=C(C)CCC(=O)NC[C@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001107976267 780051649 /nfs/dbraw/zinc/05/16/49/780051649.db2.gz HTZKJTUKGYJMCF-NVXWUHKLSA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)(F)F)CC1 ZINC001032631654 780084492 /nfs/dbraw/zinc/08/44/92/780084492.db2.gz TWFQDKQJBHVZOT-STQMWFEESA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnccc1C ZINC001272815261 780111826 /nfs/dbraw/zinc/11/18/26/780111826.db2.gz ILXTYDCVJWDQNL-IAGOWNOFSA-N 0 3 299.418 2.531 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)o1 ZINC001032670941 780123736 /nfs/dbraw/zinc/12/37/36/780123736.db2.gz UMXSRALXSDLRFY-KKUMJFAQSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049453802 780153274 /nfs/dbraw/zinc/15/32/74/780153274.db2.gz NBWJTXSZYIXKCP-LSDHHAIUSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049655383 780194980 /nfs/dbraw/zinc/19/49/80/780194980.db2.gz PIZMGTXFZPJNOY-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032763393 780196883 /nfs/dbraw/zinc/19/68/83/780196883.db2.gz XIWBUAHKLFHDOG-HOTGVXAUSA-N 0 3 284.403 2.778 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C ZINC001032797973 780249711 /nfs/dbraw/zinc/24/97/11/780249711.db2.gz KMKAYQCGEVZIQW-HOTGVXAUSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CC=CC2)C12CCC2 ZINC001078584167 780279248 /nfs/dbraw/zinc/27/92/48/780279248.db2.gz WCPYXNSQQUBGSQ-UONOGXRCSA-N 0 3 294.826 2.722 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1sc(C)nc1C ZINC001128242297 780369594 /nfs/dbraw/zinc/36/95/94/780369594.db2.gz MEOXVZQZJJRCLE-UHFFFAOYSA-N 0 3 295.452 2.568 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032878031 780495869 /nfs/dbraw/zinc/49/58/69/780495869.db2.gz VQNIDDHCOYSJRO-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888901 780497785 /nfs/dbraw/zinc/49/77/85/780497785.db2.gz AEWRJNOJXWURCA-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)=C2CCC2)C1 ZINC001033065178 780552499 /nfs/dbraw/zinc/55/24/99/780552499.db2.gz DTIRTRLGZYEVBC-OAHLLOKOSA-N 0 3 262.397 2.596 20 30 CFEDHN CC#CCNC1(CNC(=O)CC2CCCCC2)CCC1 ZINC001273040370 780561080 /nfs/dbraw/zinc/56/10/80/780561080.db2.gz KWYPIURVYWYJJC-UHFFFAOYSA-N 0 3 276.424 2.609 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001273067452 780578260 /nfs/dbraw/zinc/57/82/60/780578260.db2.gz QOAHQRZITNPMCG-KWCYVHTRSA-N 0 3 284.831 2.660 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(CC)c2)C1 ZINC001033209500 780619066 /nfs/dbraw/zinc/61/90/66/780619066.db2.gz SGHXRVIENHZFFW-QGZVFWFLSA-N 0 3 286.419 2.510 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001033226275 780622713 /nfs/dbraw/zinc/62/27/13/780622713.db2.gz QABPNPPJCDIBEM-HNNXBMFYSA-N 0 3 299.418 2.681 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033352097 780664531 /nfs/dbraw/zinc/66/45/31/780664531.db2.gz ADHFLKOGQHRHBC-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033355271 780666129 /nfs/dbraw/zinc/66/61/29/780666129.db2.gz JSUGRTIMUUZADN-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370818 780667430 /nfs/dbraw/zinc/66/74/30/780667430.db2.gz VDTDZLJKBHGBTI-SFHVURJKSA-N 0 3 298.430 2.809 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033383400 780672794 /nfs/dbraw/zinc/67/27/94/780672794.db2.gz LVJRIHXCSIDSSP-NRXISQOPSA-N 0 3 282.403 2.624 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033631081 780736116 /nfs/dbraw/zinc/73/61/16/780736116.db2.gz JYKZSHWFDXTKFP-HNNXBMFYSA-N 0 3 292.810 2.601 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033679429 780747110 /nfs/dbraw/zinc/74/71/10/780747110.db2.gz XTFMFCGNLFQQJZ-GOSISDBHSA-N 0 3 296.414 2.734 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753673 780778884 /nfs/dbraw/zinc/77/88/84/780778884.db2.gz SVBQTZZKGJSABZ-HOTGVXAUSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001033786318 780786056 /nfs/dbraw/zinc/78/60/56/780786056.db2.gz MJEUNVBSQRCSNB-MWDXBVQZSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC(C)C2)C1 ZINC001033788054 780786793 /nfs/dbraw/zinc/78/67/93/780786793.db2.gz AGBRQDVSTXNUCM-NRXISQOPSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001033788020 780786918 /nfs/dbraw/zinc/78/69/18/780786918.db2.gz BBTIHPMGGCCITI-ZDUSSCGKSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033808783 780794824 /nfs/dbraw/zinc/79/48/24/780794824.db2.gz XXUZLONRVHOQFV-KRWDZBQOSA-N 0 3 288.435 2.823 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033823874 780796287 /nfs/dbraw/zinc/79/62/87/780796287.db2.gz KOAPMLNZRLFSTI-AWEZNQCLSA-N 0 3 289.423 2.690 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033967313 780841017 /nfs/dbraw/zinc/84/10/17/780841017.db2.gz FOWBHQDKAWSEDE-OAHLLOKOSA-N 0 3 289.423 2.744 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033971696 780843648 /nfs/dbraw/zinc/84/36/48/780843648.db2.gz KFWKMMRDJZZMHR-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033984452 780849173 /nfs/dbraw/zinc/84/91/73/780849173.db2.gz RSNWQGJBTMTSSI-OWCLPIDISA-N 0 3 276.424 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034028522 780859561 /nfs/dbraw/zinc/85/95/61/780859561.db2.gz GYWATSOQRNDZQH-QGZVFWFLSA-N 0 3 298.430 2.863 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034082964 780885992 /nfs/dbraw/zinc/88/59/92/780885992.db2.gz OGCWPJXMPYZSOZ-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034167781 780914264 /nfs/dbraw/zinc/91/42/64/780914264.db2.gz OJNSRJLAPDAQCH-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034225454 780929576 /nfs/dbraw/zinc/92/95/76/780929576.db2.gz JCYLUXFWVSRCAM-CQSZACIVSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034266186 780935696 /nfs/dbraw/zinc/93/56/96/780935696.db2.gz NITVXNKYOQGCIC-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034265372 780935841 /nfs/dbraw/zinc/93/58/41/780935841.db2.gz KHSSBVWYZVDCSN-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1nccc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241501680 780945945 /nfs/dbraw/zinc/94/59/45/780945945.db2.gz RWNZLKHLYDZZKK-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001034351639 780952860 /nfs/dbraw/zinc/95/28/60/780952860.db2.gz NPOLIWLUTYWSEY-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001034412643 780971338 /nfs/dbraw/zinc/97/13/38/780971338.db2.gz AMILBBRNEKUCDX-RRFJBIMHSA-N 0 3 288.391 2.540 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034483994 780985888 /nfs/dbraw/zinc/98/58/88/780985888.db2.gz PMHANLUYMKUBED-MRXNPFEDSA-N 0 3 290.451 2.969 20 30 CFEDHN CC(C)C(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001034593857 781006513 /nfs/dbraw/zinc/00/65/13/781006513.db2.gz YRPGGBAUIRIHTM-QAQDUYKDSA-N 0 3 299.418 2.731 20 30 CFEDHN N#Cc1cc(F)cc(-c2ccc3c(c2)COC32CNC2)c1 ZINC001241658663 781051561 /nfs/dbraw/zinc/05/15/61/781051561.db2.gz IYWWXQSFKCYDML-UHFFFAOYSA-N 0 3 280.302 2.693 20 30 CFEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCCC=C)C2 ZINC001278334790 781092892 /nfs/dbraw/zinc/09/28/92/781092892.db2.gz FXZYQZALPVGGGL-GOSISDBHSA-N 0 3 288.435 2.681 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)o1)CC2 ZINC001035643347 781154800 /nfs/dbraw/zinc/15/48/00/781154800.db2.gz FBBLXPKZRICSFE-UHFFFAOYSA-N 0 3 288.391 2.702 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CF)CCC1)CC2 ZINC001035798020 781170738 /nfs/dbraw/zinc/17/07/38/781170738.db2.gz IPPDQYRESUTGDX-UHFFFAOYSA-N 0 3 294.414 2.627 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](F)C1)CC2 ZINC001035777770 781170994 /nfs/dbraw/zinc/17/09/94/781170994.db2.gz PBRFKQWBCOLEGM-CABCVRRESA-N 0 3 294.414 2.625 20 30 CFEDHN COc1cccc(-c2ccc3nc(N)[nH]c3c2)c1C#N ZINC001242300938 781381785 /nfs/dbraw/zinc/38/17/85/781381785.db2.gz WOQQLNSKQLYYQL-UHFFFAOYSA-N 0 3 264.288 2.692 20 30 CFEDHN COc1cccc(-c2ccc3[nH]c(N)nc3c2)c1C#N ZINC001242300938 781381787 /nfs/dbraw/zinc/38/17/87/781381787.db2.gz WOQQLNSKQLYYQL-UHFFFAOYSA-N 0 3 264.288 2.692 20 30 CFEDHN CC1(C)CC(=O)C=C(c2ccc3[nH]c(N)nc3c2)C1 ZINC001242315984 781393372 /nfs/dbraw/zinc/39/33/72/781393372.db2.gz CCXNYKSMJDOBDK-UHFFFAOYSA-N 0 3 255.321 2.918 20 30 CFEDHN CC1(C)CC(=O)C=C(c2ccc3nc(N)[nH]c3c2)C1 ZINC001242315984 781393383 /nfs/dbraw/zinc/39/33/83/781393383.db2.gz CCXNYKSMJDOBDK-UHFFFAOYSA-N 0 3 255.321 2.918 20 30 CFEDHN C=CCCCC(=O)NC[C@@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001108169114 781409259 /nfs/dbraw/zinc/40/92/59/781409259.db2.gz KGLBPWNZWAAALU-WBVHZDCISA-N 0 3 296.455 2.596 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](CF)C2)cc1C#N ZINC000711424460 781430856 /nfs/dbraw/zinc/43/08/56/781430856.db2.gz ZWNRJBSQWIQYBE-ZDUSSCGKSA-N 0 3 262.328 2.748 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1cc(F)ccc1C ZINC001163514958 781492953 /nfs/dbraw/zinc/49/29/53/781492953.db2.gz VMBLUKBUSPCURZ-UHFFFAOYSA-N 0 3 284.762 2.596 20 30 CFEDHN Cc1cc(C#N)ccc1-c1ccc2c(c1)COC21CNC1 ZINC001242475607 781530147 /nfs/dbraw/zinc/53/01/47/781530147.db2.gz XQHWFWITUGLJOQ-UHFFFAOYSA-N 0 3 276.339 2.862 20 30 CFEDHN N#Cc1cc(-c2ccc(-n3cc[nH+]c3N)cc2)ccc1[O-] ZINC001242566640 781606282 /nfs/dbraw/zinc/60/62/82/781606282.db2.gz JBRFRKNVEOHIHW-UHFFFAOYSA-N 0 3 276.299 2.699 20 30 CFEDHN N#Cc1cc(F)ccc1-c1ccc2[nH]c(N)nc2c1 ZINC001242583194 781615714 /nfs/dbraw/zinc/61/57/14/781615714.db2.gz RLLNOIJVZCKLOV-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN N#Cc1cc(F)ccc1-c1ccc2nc(N)[nH]c2c1 ZINC001242583194 781615718 /nfs/dbraw/zinc/61/57/18/781615718.db2.gz RLLNOIJVZCKLOV-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN CN(C)Cc1ccnc(-c2ccc(F)cc2C#N)c1 ZINC001242582231 781615775 /nfs/dbraw/zinc/61/57/75/781615775.db2.gz OOAAMRNFUREUNP-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001080077913 781633569 /nfs/dbraw/zinc/63/35/69/781633569.db2.gz XXGYRMUNNBIPEZ-CZUORRHYSA-N 0 3 290.382 2.760 20 30 CFEDHN C=CCOCCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098867753 781672470 /nfs/dbraw/zinc/67/24/70/781672470.db2.gz JABOYHUWAVOMPP-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001084316894 781788753 /nfs/dbraw/zinc/78/87/53/781788753.db2.gz QVGHCXZWIUUTAZ-UKRRQHHQSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCC3)[C@@H]2C1 ZINC001084443234 781796268 /nfs/dbraw/zinc/79/62/68/781796268.db2.gz BKKWQBYQHQVURM-FVQBIDKESA-N 0 3 276.424 2.531 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(CC=C(C)C)C[C@H]21 ZINC001084574551 781806487 /nfs/dbraw/zinc/80/64/87/781806487.db2.gz CAEYORWGLGBMIJ-HUUCEWRRSA-N 0 3 276.424 2.698 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001084602160 781807821 /nfs/dbraw/zinc/80/78/21/781807821.db2.gz COVYCOIBCRSYQG-HZPDHXFCSA-N 0 3 290.451 2.922 20 30 CFEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972115 781871081 /nfs/dbraw/zinc/87/10/81/781871081.db2.gz ORLRLHFLOMSQHP-XHSDSOJGSA-N 0 3 290.451 2.615 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC3(C)C)C[C@@H]21 ZINC001085010847 781880394 /nfs/dbraw/zinc/88/03/94/781880394.db2.gz BULLAUYAHIEZSJ-PMPSAXMXSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OC ZINC001098952939 781912449 /nfs/dbraw/zinc/91/24/49/781912449.db2.gz NQQJVJOLCMZMJY-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CC1 ZINC001085115170 781918104 /nfs/dbraw/zinc/91/81/04/781918104.db2.gz COSXFNVUEVNZMT-CHWSQXEVSA-N 0 3 270.804 2.556 20 30 CFEDHN C[C@H]1OCC[C@H]1NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517247 349439368 /nfs/dbraw/zinc/43/93/68/349439368.db2.gz JKVZYHQYCLEXIY-IUODEOHRSA-N 0 3 256.349 2.704 20 30 CFEDHN C[C@H]1OCC[C@@H]1NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517246 349439388 /nfs/dbraw/zinc/43/93/88/349439388.db2.gz JKVZYHQYCLEXIY-DOMZBBRYSA-N 0 3 256.349 2.704 20 30 CFEDHN Cc1cnc(CCNCc2cc(C#N)cs2)c(C)c1 ZINC000594520658 349440709 /nfs/dbraw/zinc/44/07/09/349440709.db2.gz KDTAWMLCBDACLM-UHFFFAOYSA-N 0 3 271.389 2.964 20 30 CFEDHN CC(C)(O)C1CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594607538 349460822 /nfs/dbraw/zinc/46/08/22/349460822.db2.gz WWPSOYYPPGDSCL-UHFFFAOYSA-N 0 3 272.392 2.690 20 30 CFEDHN CSCC1(CCNC[C@H](C#N)CCC#N)CC1 ZINC000594712590 349478491 /nfs/dbraw/zinc/47/84/91/349478491.db2.gz QVCPYRVEFFVQAM-LBPRGKRZSA-N 0 3 251.399 2.553 20 30 CFEDHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919018 349506676 /nfs/dbraw/zinc/50/66/76/349506676.db2.gz VJTLNPCCBCXLDR-ZIAGYGMSSA-N 0 3 299.418 2.635 20 30 CFEDHN C[C@@H](Cn1cccn1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594914395 349504445 /nfs/dbraw/zinc/50/44/45/349504445.db2.gz HSPADZARCRSZJF-AWEZNQCLSA-N 0 3 280.375 2.617 20 30 CFEDHN C=CCSCCNCc1cc(COC)cs1 ZINC000594923454 349510301 /nfs/dbraw/zinc/51/03/01/349510301.db2.gz YEEXLXVGCZHRFD-UHFFFAOYSA-N 0 3 257.424 2.903 20 30 CFEDHN N#CC1(c2ccc(CN[C@H](CO)CC(F)(F)F)cc2)CC1 ZINC000594934726 349517599 /nfs/dbraw/zinc/51/75/99/349517599.db2.gz FSHBWGDWMQYALH-ZDUSSCGKSA-N 0 3 298.308 2.645 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H](CO)CC(F)(F)F)cc2)CC1 ZINC000594934724 349517793 /nfs/dbraw/zinc/51/77/93/349517793.db2.gz FSHBWGDWMQYALH-CYBMUJFWSA-N 0 3 298.308 2.645 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@H]2C[C@@H]2C(=O)OC)cc1 ZINC000594940119 349520022 /nfs/dbraw/zinc/52/00/22/349520022.db2.gz HMFNVCWNBVOJLD-WQVCFCJDSA-N 0 3 289.375 2.539 20 30 CFEDHN COCC1(NCc2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000594941001 349520792 /nfs/dbraw/zinc/52/07/92/349520792.db2.gz PBNXEFMYQQDTEB-UHFFFAOYSA-N 0 3 270.376 2.900 20 30 CFEDHN CC[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000594941544 349520976 /nfs/dbraw/zinc/52/09/76/349520976.db2.gz VLQOZRYVPXQYCG-CHWSQXEVSA-N 0 3 264.756 2.869 20 30 CFEDHN N#CC1(c2ccc(C[NH2+]Cc3ncccc3[O-])cc2)CC1 ZINC000594939920 349520280 /nfs/dbraw/zinc/52/02/80/349520280.db2.gz VBCAQMRNJJWGRM-UHFFFAOYSA-N 0 3 279.343 2.632 20 30 CFEDHN Cn1ncc(C2CCC2)c1CNCC(C)(C)CC#N ZINC000594943310 349521950 /nfs/dbraw/zinc/52/19/50/349521950.db2.gz BTKNUQPVHYCHHJ-UHFFFAOYSA-N 0 3 260.385 2.717 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)CO1 ZINC000594947495 349524590 /nfs/dbraw/zinc/52/45/90/349524590.db2.gz FJUQRYGWJLQYSO-DOMZBBRYSA-N 0 3 256.349 2.509 20 30 CFEDHN Cc1ccc(CNCCc2ccc(C#N)cc2)nc1 ZINC000594954601 349527546 /nfs/dbraw/zinc/52/75/46/349527546.db2.gz IKRMFQVIALAMJQ-UHFFFAOYSA-N 0 3 251.333 2.594 20 30 CFEDHN COc1ccc(CNCCc2ccc(C#N)cc2)c(OC)c1 ZINC000594955708 349528051 /nfs/dbraw/zinc/52/80/51/349528051.db2.gz SNFJJTKDPYRLAT-UHFFFAOYSA-N 0 3 296.370 2.908 20 30 CFEDHN Cc1nn(C(C)C)cc1CNCCc1ccc(C#N)cc1 ZINC000594955664 349528202 /nfs/dbraw/zinc/52/82/02/349528202.db2.gz RIPFGLMHZUCFMG-UHFFFAOYSA-N 0 3 282.391 2.976 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1ccc(C#N)s1 ZINC000594955757 349528450 /nfs/dbraw/zinc/52/84/50/349528450.db2.gz DOAAPLCAJYTCGJ-GFCCVEGCSA-N 0 3 264.394 2.915 20 30 CFEDHN C=CCCSCCNCc1cnc2c(c1)c(C)nn2C ZINC000594959784 349530082 /nfs/dbraw/zinc/53/00/82/349530082.db2.gz DNBZWTOTSCVHCM-UHFFFAOYSA-N 0 3 290.436 2.676 20 30 CFEDHN CC1(C)COC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594960984 349531300 /nfs/dbraw/zinc/53/13/00/349531300.db2.gz VLWFGECVIHJDJR-OAHLLOKOSA-N 0 3 270.376 2.756 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNCc1cc(C#N)cs1 ZINC000594963998 349532632 /nfs/dbraw/zinc/53/26/32/349532632.db2.gz NKMFSCTVTFSNBG-LBPRGKRZSA-N 0 3 263.410 2.582 20 30 CFEDHN Cc1ncc(CNC(C)(C)c2cccc(C#N)c2)n1C ZINC000594968605 349534842 /nfs/dbraw/zinc/53/48/42/349534842.db2.gz KAHNZAOUOFBOKZ-UHFFFAOYSA-N 0 3 268.364 2.625 20 30 CFEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C#N)cc2F)O1 ZINC000594982618 349538112 /nfs/dbraw/zinc/53/81/12/349538112.db2.gz BURUYDHZHFJQQF-BXUZGUMPSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)CN1C1CC1 ZINC000594981465 349538203 /nfs/dbraw/zinc/53/82/03/349538203.db2.gz QRPLSAXPQUGAAM-ZIAGYGMSSA-N 0 3 261.413 2.675 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)s2)CCO[C@@H]1C1CC1 ZINC000273087572 192039221 /nfs/dbraw/zinc/03/92/21/192039221.db2.gz KGDPJRZADKBMDI-KGLIPLIRSA-N 0 3 262.378 2.667 20 30 CFEDHN COC(=O)c1coc([C@@H](C)NCCc2ccc(C#N)cc2)c1 ZINC000595055474 349567524 /nfs/dbraw/zinc/56/75/24/349567524.db2.gz FLGFUZFMYPKHKP-GFCCVEGCSA-N 0 3 298.342 2.831 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCO[C@@H]1CC1(F)F)CC2 ZINC000595066874 349572212 /nfs/dbraw/zinc/57/22/12/349572212.db2.gz CMSQWFHMEMVSFR-UONOGXRCSA-N 0 3 278.302 2.559 20 30 CFEDHN C[C@H](NCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000595091232 349577989 /nfs/dbraw/zinc/57/79/89/349577989.db2.gz OJHDMENFJKDOET-UONOGXRCSA-N 0 3 250.386 2.865 20 30 CFEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000595091231 349578187 /nfs/dbraw/zinc/57/81/87/349578187.db2.gz OJHDMENFJKDOET-KGLIPLIRSA-N 0 3 250.386 2.865 20 30 CFEDHN C=CCCSCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000595256585 349588046 /nfs/dbraw/zinc/58/80/46/349588046.db2.gz NVEHPQMDWRMMNI-HNNXBMFYSA-N 0 3 290.432 2.647 20 30 CFEDHN Cc1sc(NC(=O)[C@H](N)CCCC#N)nc1C(C)C ZINC000595257378 349588195 /nfs/dbraw/zinc/58/81/95/349588195.db2.gz UZNRZNQISLYDEL-SNVBAGLBSA-N 0 3 280.397 2.535 20 30 CFEDHN N#Cc1ccc(CCNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000595255635 349588344 /nfs/dbraw/zinc/58/83/44/349588344.db2.gz HBIVKKTXGACSBR-QGZVFWFLSA-N 0 3 299.418 2.515 20 30 CFEDHN CCC(CC)CCCN(C)C(=O)[C@H](N)CCCC#N ZINC000595260123 349589461 /nfs/dbraw/zinc/58/94/61/349589461.db2.gz VMYUDKICFYYWFU-CQSZACIVSA-N 0 3 267.417 2.682 20 30 CFEDHN CN(CCN1CCCC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595311535 349599427 /nfs/dbraw/zinc/59/94/27/349599427.db2.gz CWWFAKCDYZFNTD-HNNXBMFYSA-N 0 3 277.799 2.932 20 30 CFEDHN Cc1ncsc1CN(C)CCc1ccc(C#N)cc1 ZINC000595311053 349599497 /nfs/dbraw/zinc/59/94/97/349599497.db2.gz HSYFDRWLETVIBF-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN CC(C)N1CCCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595307714 349597984 /nfs/dbraw/zinc/59/79/84/349597984.db2.gz XFRYEVUFWFZYSK-INIZCTEOSA-N 0 3 257.381 2.667 20 30 CFEDHN CC(C)N1CCCN([C@H](C#N)c2ccccc2)CC1 ZINC000595307715 349598223 /nfs/dbraw/zinc/59/82/23/349598223.db2.gz XFRYEVUFWFZYSK-MRXNPFEDSA-N 0 3 257.381 2.667 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@H]2CCCC[C@@H]2C)CC1 ZINC000595397460 349616484 /nfs/dbraw/zinc/61/64/84/349616484.db2.gz IUBVEWOFECGVSF-BBWFWOEESA-N 0 3 277.456 2.978 20 30 CFEDHN CO[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000595551161 349657266 /nfs/dbraw/zinc/65/72/66/349657266.db2.gz VUDMDPZVEAYTEF-IAOVAPTHSA-N 0 3 288.391 2.603 20 30 CFEDHN N#CC[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000595615182 349677081 /nfs/dbraw/zinc/67/70/81/349677081.db2.gz KIAKWOUBQBYBMU-OAHLLOKOSA-N 0 3 283.375 2.953 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000595614900 349677373 /nfs/dbraw/zinc/67/73/73/349677373.db2.gz JHLZOAVFWUSCHN-CQSZACIVSA-N 0 3 296.374 2.513 20 30 CFEDHN C=CCN(CCc1ccccc1C(=O)OC)[C@@H](C)COC ZINC000595638853 349686072 /nfs/dbraw/zinc/68/60/72/349686072.db2.gz MOVKXKMFLCXTSO-AWEZNQCLSA-N 0 3 291.391 2.539 20 30 CFEDHN CC(C)(NCCC(=O)N1CCCCC1)c1cccc(C#N)c1 ZINC000595641046 349686615 /nfs/dbraw/zinc/68/66/15/349686615.db2.gz XVBQYERQZFXSGT-UHFFFAOYSA-N 0 3 299.418 2.786 20 30 CFEDHN C=C(Br)CN1CCC[C@H]1CN1CCCCC1 ZINC000069607815 346896117 /nfs/dbraw/zinc/89/61/17/346896117.db2.gz GNXLYFMHLMMXDM-ZDUSSCGKSA-N 0 3 287.245 2.845 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000595622452 349680918 /nfs/dbraw/zinc/68/09/18/349680918.db2.gz ATIBVBDVDRTVOE-CZUORRHYSA-N 0 3 292.810 2.869 20 30 CFEDHN Cc1nccn1CCNC(C)(C)c1cccc(C#N)c1 ZINC000595632547 349683424 /nfs/dbraw/zinc/68/34/24/349683424.db2.gz FDNAATCYAZOUDT-UHFFFAOYSA-N 0 3 268.364 2.588 20 30 CFEDHN Cc1cnn(CCNC(C)(C)c2cccc(C#N)c2)c1 ZINC000595633185 349683878 /nfs/dbraw/zinc/68/38/78/349683878.db2.gz NMDQTPVQKHHYIU-UHFFFAOYSA-N 0 3 268.364 2.588 20 30 CFEDHN C=CCN(CCc1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000595647265 349689118 /nfs/dbraw/zinc/68/91/18/349689118.db2.gz NVIMRXHRAOEZPC-CYBMUJFWSA-N 0 3 278.352 2.660 20 30 CFEDHN C[C@H]1COC2(CCC2)CN1CCc1ccc(C#N)cc1 ZINC000595681109 349699631 /nfs/dbraw/zinc/69/96/31/349699631.db2.gz KBICMIOMWHPSJR-AWEZNQCLSA-N 0 3 270.376 2.744 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000595670324 349696186 /nfs/dbraw/zinc/69/61/86/349696186.db2.gz BKONDUNFSNMTKI-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747868 349721471 /nfs/dbraw/zinc/72/14/71/349721471.db2.gz NPZHYRSSQQJWBT-BHYGNILZSA-N 0 3 272.392 2.777 20 30 CFEDHN C[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1CCO ZINC000595706924 349712181 /nfs/dbraw/zinc/71/21/81/349712181.db2.gz YVGAHHSFWCXQNI-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN CC(C)CC1(N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000595831003 349745765 /nfs/dbraw/zinc/74/57/65/349745765.db2.gz JQNNXAKIEGWJMQ-INIZCTEOSA-N 0 3 297.402 2.832 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000595832211 349746122 /nfs/dbraw/zinc/74/61/22/349746122.db2.gz SXEWHFXOEXBJKU-IJEWVQPXSA-N 0 3 256.349 2.832 20 30 CFEDHN COc1ccc2c(c1)CCN(CCCSCC#N)C2 ZINC000595761151 349726447 /nfs/dbraw/zinc/72/64/47/349726447.db2.gz ZPRPITMXZGJYIV-UHFFFAOYSA-N 0 3 276.405 2.700 20 30 CFEDHN N#Cc1ccc(CCN2CCNCc3ccccc32)cc1 ZINC000595894366 349763576 /nfs/dbraw/zinc/76/35/76/349763576.db2.gz UXUXNBOXMPZEDZ-UHFFFAOYSA-N 0 3 277.371 2.711 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000595841845 349751356 /nfs/dbraw/zinc/75/13/56/349751356.db2.gz OVYFEEOLJXVHLE-PNBKFKSVSA-N 0 3 289.423 2.612 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)Nc1ccccc1 ZINC000595845886 349754164 /nfs/dbraw/zinc/75/41/64/349754164.db2.gz VIYCOFPJIUBNRT-GASCZTMLSA-N 0 3 299.374 2.518 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N[C@](C)(C#N)C(C)C ZINC000595866491 349757106 /nfs/dbraw/zinc/75/71/06/349757106.db2.gz HWFWDGDOGMXILO-SQWLQELKSA-N 0 3 279.428 2.694 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000595866489 349757626 /nfs/dbraw/zinc/75/76/26/349757626.db2.gz HWFWDGDOGMXILO-LZWOXQAQSA-N 0 3 279.428 2.694 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)s1)[C@@H](O)C(C)C ZINC000414519461 529626099 /nfs/dbraw/zinc/62/60/99/529626099.db2.gz CIQZFKPNGYQLFR-STQMWFEESA-N 0 3 252.383 2.505 20 30 CFEDHN N#Cc1[n-]c(=NCCC[NH2+]C2CCCCC2)sc1Cl ZINC000596074252 349787164 /nfs/dbraw/zinc/78/71/64/349787164.db2.gz CNQMGLQZSSTNEB-UHFFFAOYSA-N 0 3 298.843 2.814 20 30 CFEDHN N#Cc1cc2cccnc2nc1NCCN1CCCCCC1 ZINC000596074147 349787342 /nfs/dbraw/zinc/78/73/42/349787342.db2.gz RTBLQKOJJQYQMG-UHFFFAOYSA-N 0 3 295.390 2.789 20 30 CFEDHN CC(C)(C)N1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596094003 349792982 /nfs/dbraw/zinc/79/29/82/349792982.db2.gz FZRJBXJUAUHWPU-UHFFFAOYSA-N 0 3 298.843 2.979 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCCOCC(F)F)cc1 ZINC000188746504 260186463 /nfs/dbraw/zinc/18/64/63/260186463.db2.gz KNDKFKBVQMLJBU-GFCCVEGCSA-N 0 3 283.318 2.631 20 30 CFEDHN Cc1ccc(C#N)nc1NCCN(C)Cc1ccc(F)cc1 ZINC000596152572 349810367 /nfs/dbraw/zinc/81/03/67/349810367.db2.gz YQUSYNUYNKNOMK-UHFFFAOYSA-N 0 3 298.365 2.945 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccsn1)C(C)C ZINC000295000749 199294095 /nfs/dbraw/zinc/29/40/95/199294095.db2.gz VWHDINIBVFGLCV-CQSZACIVSA-N 0 3 293.436 2.572 20 30 CFEDHN Cc1nc(N2CCN(C)C3(CCCCC3)C2)ccc1C#N ZINC000596251727 349841337 /nfs/dbraw/zinc/84/13/37/349841337.db2.gz XRFBUTMOIKRICY-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)CC1(O)CCC1 ZINC000353489881 529823359 /nfs/dbraw/zinc/82/33/59/529823359.db2.gz QCMWEVYELLFTQD-UHFFFAOYSA-N 0 3 263.768 2.538 20 30 CFEDHN CCN1CCCN(c2nc(C#N)c(Cl)s2)[C@@H](C)C1 ZINC000596268013 349847979 /nfs/dbraw/zinc/84/79/79/349847979.db2.gz BNRCOBUPTBZHFH-VIFPVBQESA-N 0 3 284.816 2.589 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC[C@@H]2CCN2C(C)(C)C)n1 ZINC000596305857 349857676 /nfs/dbraw/zinc/85/76/76/349857676.db2.gz BJMCAWZMZZWZDN-ZDUSSCGKSA-N 0 3 272.396 2.855 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC[C@H]2CCN2C(C)(C)C)n1 ZINC000596305855 349857740 /nfs/dbraw/zinc/85/77/40/349857740.db2.gz BJMCAWZMZZWZDN-CYBMUJFWSA-N 0 3 272.396 2.855 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1cc(C#N)nc2ccccc21 ZINC000596306890 349857892 /nfs/dbraw/zinc/85/78/92/349857892.db2.gz JNIWQULMKPMMLP-CQSZACIVSA-N 0 3 294.402 2.813 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)C[C@H]2CC)CC1 ZINC000074130029 346999302 /nfs/dbraw/zinc/99/93/02/346999302.db2.gz RLBSZWSNQRDRLG-GOEBONIOSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCOCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270381926 190665545 /nfs/dbraw/zinc/66/55/45/190665545.db2.gz NZLBOXIEHJNCFI-UHFFFAOYSA-N 0 3 290.407 2.978 20 30 CFEDHN CN1CC=C(CNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000329218353 530047132 /nfs/dbraw/zinc/04/71/32/530047132.db2.gz RPXSVMNZXZXCFM-UHFFFAOYSA-N 0 3 295.386 2.808 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)Nc1ncc(C#N)cc1F ZINC000596489867 349917894 /nfs/dbraw/zinc/91/78/94/349917894.db2.gz XBXUVUQUQDELEC-GFCCVEGCSA-N 0 3 276.359 2.625 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@]1(O)CCC[C@@H]1C ZINC000336906611 334956537 /nfs/dbraw/zinc/95/65/37/334956537.db2.gz YEFADFNBCWXRTO-YOEHRIQHSA-N 0 3 275.392 2.892 20 30 CFEDHN COc1ccc(CC[C@@H](C)NCC(C)(C)C#N)cc1O ZINC000617315603 352535537 /nfs/dbraw/zinc/53/55/37/352535537.db2.gz OYUMCDGBQGRHMM-GFCCVEGCSA-N 0 3 276.380 2.861 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H](c2ccccc2)N(C)C)n1 ZINC000127466735 187309161 /nfs/dbraw/zinc/30/91/61/187309161.db2.gz PDRUFCZPTSHCJV-MRXNPFEDSA-N 0 3 280.375 2.977 20 30 CFEDHN C=CCOc1ccc(CN2CC(CCOC)C2)cc1 ZINC000668474127 539518751 /nfs/dbraw/zinc/51/87/51/539518751.db2.gz OLUKRKYEZRKIAJ-UHFFFAOYSA-N 0 3 261.365 2.720 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000035426653 346320583 /nfs/dbraw/zinc/32/05/83/346320583.db2.gz MPQLZICOXRAJTI-AWEZNQCLSA-N 0 3 294.358 2.803 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(F)c2)nc(C)n1 ZINC000041574181 346353658 /nfs/dbraw/zinc/35/36/58/346353658.db2.gz BGNUYQXMBLJCTD-CYBMUJFWSA-N 0 3 269.279 2.723 20 30 CFEDHN N#Cc1cccc(CNCc2ccnc(N3CCCC3)c2)c1 ZINC000042207594 346362700 /nfs/dbraw/zinc/36/27/00/346362700.db2.gz VNWKUEIAXPUOJA-UHFFFAOYSA-N 0 3 292.386 2.843 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@H]3C3CC3)o2)c1 ZINC000075713758 347094866 /nfs/dbraw/zinc/09/48/66/347094866.db2.gz PNYFUPPNDQBHPX-HNNXBMFYSA-N 0 3 294.358 2.983 20 30 CFEDHN CC(C)N1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000075693624 347093464 /nfs/dbraw/zinc/09/34/64/347093464.db2.gz MOURGYLBEWLHRM-BQYQJAHWSA-N 0 3 297.402 2.514 20 30 CFEDHN CC[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000048058144 346465650 /nfs/dbraw/zinc/46/56/50/346465650.db2.gz GNDBRGAODNEFPZ-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000596675540 349973066 /nfs/dbraw/zinc/97/30/66/349973066.db2.gz WAIPBCJNISSQPR-STQMWFEESA-N 0 3 291.420 2.551 20 30 CFEDHN C[C@@H](CC#N)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000596682404 349973691 /nfs/dbraw/zinc/97/36/91/349973691.db2.gz KXAYGRYINQBWIC-HNNXBMFYSA-N 0 3 299.418 2.838 20 30 CFEDHN N#Cc1cccnc1N1CCCN([C@H]2C=CCCC2)CC1 ZINC000066496586 346764924 /nfs/dbraw/zinc/76/49/24/346764924.db2.gz AAOXRTPLDCHGJD-INIZCTEOSA-N 0 3 282.391 2.574 20 30 CFEDHN N#Cc1ccc(CN2CCN([C@@H]3C=CCCC3)CC2)cc1 ZINC000076668008 347146723 /nfs/dbraw/zinc/14/67/23/347146723.db2.gz NZWNXTLZGZQJDM-GOSISDBHSA-N 0 3 281.403 2.785 20 30 CFEDHN C=CCN1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000076709710 347149405 /nfs/dbraw/zinc/14/94/05/347149405.db2.gz XDMMYGQBUCHFJO-UHFFFAOYSA-N 0 3 277.364 2.733 20 30 CFEDHN C[C@H](CCC(C)(C)C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000076320958 347134028 /nfs/dbraw/zinc/13/40/28/347134028.db2.gz MKHJNSNFOACSRQ-IUODEOHRSA-N 0 3 287.407 2.889 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000077219803 347176484 /nfs/dbraw/zinc/17/64/84/347176484.db2.gz UUAFDVMFTJQTMD-CYBMUJFWSA-N 0 3 295.390 2.788 20 30 CFEDHN CCCN1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000078251301 347234042 /nfs/dbraw/zinc/23/40/42/347234042.db2.gz CARMTGHMBSLCIR-UHFFFAOYSA-N 0 3 284.816 2.590 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000079121476 347290482 /nfs/dbraw/zinc/29/04/82/347290482.db2.gz SBWRLDKBEAHKCF-MRXNPFEDSA-N 0 3 287.407 2.673 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121569 347290589 /nfs/dbraw/zinc/29/05/89/347290589.db2.gz QZSXVDICFHSFBO-INIZCTEOSA-N 0 3 289.423 2.897 20 30 CFEDHN CC(C(=O)Nc1ccc(CC#N)cc1)C(F)(F)F ZINC000079319230 347298349 /nfs/dbraw/zinc/29/83/49/347298349.db2.gz YWADBGXQSWVHOQ-MRVPVSSYSA-N 0 3 256.227 2.890 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000079819619 347327603 /nfs/dbraw/zinc/32/76/03/347327603.db2.gz GRHISPCZELJODY-UHFFFAOYSA-N 0 3 288.395 2.610 20 30 CFEDHN N#CCCCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000084134308 347457538 /nfs/dbraw/zinc/45/75/38/347457538.db2.gz DMMKJJWBVOLNPT-INIZCTEOSA-N 0 3 258.365 2.624 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1snc(Cl)c1C#N ZINC000092669127 347639353 /nfs/dbraw/zinc/63/93/53/347639353.db2.gz ZIBRFJUQRAKUEF-ZJUUUORDSA-N 0 3 296.827 2.731 20 30 CFEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000092762363 347646165 /nfs/dbraw/zinc/64/61/65/347646165.db2.gz ZFMCAIGSRUMMRX-CHWSQXEVSA-N 0 3 268.364 2.826 20 30 CFEDHN C=CCOc1ccccc1CN(C)C[C@H]1CCOC1 ZINC000093839942 347685184 /nfs/dbraw/zinc/68/51/84/347685184.db2.gz IJZJBBNZWXPTGM-CQSZACIVSA-N 0 3 261.365 2.720 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1cnccc1C#N ZINC000094158782 347693457 /nfs/dbraw/zinc/69/34/57/347693457.db2.gz RDFLVLZWGAYQGM-CQSZACIVSA-N 0 3 258.369 2.630 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1C#N ZINC000134997517 347902844 /nfs/dbraw/zinc/90/28/44/347902844.db2.gz XZDUMJWOWVNJSL-CQSZACIVSA-N 0 3 296.374 2.670 20 30 CFEDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000165435087 348038792 /nfs/dbraw/zinc/03/87/92/348038792.db2.gz NSBDCAJQECZPSD-INIZCTEOSA-N 0 3 286.375 2.642 20 30 CFEDHN C=C(C)COCCNCc1cncc(Br)c1 ZINC000166505549 348042592 /nfs/dbraw/zinc/04/25/92/348042592.db2.gz CPCYGHCGLIGSMU-UHFFFAOYSA-N 0 3 285.185 2.526 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2ccc(CC)cc2)CC1 ZINC000172908370 348104147 /nfs/dbraw/zinc/10/41/47/348104147.db2.gz YWONJRZFJPNFCB-UHFFFAOYSA-N 0 3 286.419 2.558 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2C(C)C)CC1 ZINC000172336151 348091002 /nfs/dbraw/zinc/09/10/02/348091002.db2.gz KZMNJWPNGRZGMG-MRXNPFEDSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCC(C)(C)C)CC1 ZINC000172390338 348092843 /nfs/dbraw/zinc/09/28/43/348092843.db2.gz JACCGBDHHHVSTO-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C[C@H](C)NCc1cc2c(c(Br)c1)OCO2 ZINC000130429574 539600403 /nfs/dbraw/zinc/60/04/03/539600403.db2.gz XRCNLIZZYMXQMI-QMMMGPOBSA-N 0 3 284.153 2.842 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1CCc2c(cccc2OC)C1 ZINC000190526357 348135578 /nfs/dbraw/zinc/13/55/78/348135578.db2.gz KYFBTTJDFWWRIJ-KGLIPLIRSA-N 0 3 258.365 2.834 20 30 CFEDHN N#Cc1cccc(CNC[C@@H](O)CC2CCCC2)c1 ZINC000232129224 348210747 /nfs/dbraw/zinc/21/07/47/348210747.db2.gz MJNKASQNJLWFQZ-INIZCTEOSA-N 0 3 258.365 2.589 20 30 CFEDHN CC[C@H](C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309863269 348407982 /nfs/dbraw/zinc/40/79/82/348407982.db2.gz OHTQBWQNEKLYBK-MRXNPFEDSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@@H]1SCC[C@H]1NCc1ccc(C#N)cc1F ZINC000310359452 348408714 /nfs/dbraw/zinc/40/87/14/348408714.db2.gz SXTOJYHLUJHDPA-TVQRCGJNSA-N 0 3 250.342 2.681 20 30 CFEDHN Cc1cc(NCCN2CCCCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413051169 233011586 /nfs/dbraw/zinc/01/15/86/233011586.db2.gz FMNZMILLMFCRTO-UHFFFAOYSA-N 0 3 288.351 2.673 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000320308676 348435831 /nfs/dbraw/zinc/43/58/31/348435831.db2.gz LFUTVIGBLFXMPT-LBPRGKRZSA-N 0 3 274.364 2.626 20 30 CFEDHN CCN1CCCN(c2cccc(F)c2C#N)[C@H](C)C1 ZINC000320592328 348436444 /nfs/dbraw/zinc/43/64/44/348436444.db2.gz VZIPCVWPXIGZKA-GFCCVEGCSA-N 0 3 261.344 2.618 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000320805822 348437343 /nfs/dbraw/zinc/43/73/43/348437343.db2.gz WLHKUQZDSJWXIN-LBPRGKRZSA-N 0 3 299.798 2.774 20 30 CFEDHN C[C@@H](CN1CCCCC1)NC(=O)CC1(C#N)CCCCC1 ZINC000596789713 349990481 /nfs/dbraw/zinc/99/04/81/349990481.db2.gz FTMWQYHBGZSCLG-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN C[C@H]1CCCN(CCNC(=O)CC2(C#N)CCCCC2)C1 ZINC000596806897 349991933 /nfs/dbraw/zinc/99/19/33/349991933.db2.gz DEFPGSAEXNXVIX-HNNXBMFYSA-N 0 3 291.439 2.699 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379708878 348522409 /nfs/dbraw/zinc/52/24/09/348522409.db2.gz GZYKWUWABUHRMK-IRXDYDNUSA-N 0 3 299.418 2.707 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000383089398 348531038 /nfs/dbraw/zinc/53/10/38/348531038.db2.gz POTWWXXLCIFVCK-DOTOQJQBSA-N 0 3 299.418 2.659 20 30 CFEDHN CC(C)O[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000404693821 348594214 /nfs/dbraw/zinc/59/42/14/348594214.db2.gz KMOMCHIJNHWDDH-KRWDZBQOSA-N 0 3 288.391 2.826 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC(C)(C)C#N ZINC000405219087 348596733 /nfs/dbraw/zinc/59/67/33/348596733.db2.gz KNCUTIUQKAUDKZ-ZBFHGGJFSA-N 0 3 271.408 2.646 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2cnccc2C#N)CC1 ZINC000563768082 348660492 /nfs/dbraw/zinc/66/04/92/348660492.db2.gz XBCJYVBQCGWJSG-OAHLLOKOSA-N 0 3 284.407 2.820 20 30 CFEDHN CC#CCCNC(=O)N(CCC)CCN1CCCCCC1 ZINC000460841359 348625629 /nfs/dbraw/zinc/62/56/29/348625629.db2.gz GUBCKKYAOQJXRQ-UHFFFAOYSA-N 0 3 293.455 2.697 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000273460797 192160749 /nfs/dbraw/zinc/16/07/49/192160749.db2.gz HQZFDKRPMGHHRD-MRXNPFEDSA-N 0 3 297.402 2.581 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncc2c(c1C#N)CCC2 ZINC000584835305 348720809 /nfs/dbraw/zinc/72/08/09/348720809.db2.gz TTYNINUWJJBOEE-KGLIPLIRSA-N 0 3 298.434 2.974 20 30 CFEDHN N#CCC[C@@H](NCC1(O)CCCC1)c1ccccc1 ZINC000584586246 348680261 /nfs/dbraw/zinc/68/02/61/348680261.db2.gz RCGQGEHRUTWBJH-OAHLLOKOSA-N 0 3 258.365 2.926 20 30 CFEDHN C[C@H](CNC(=O)CCCCCC#N)N1CCCC[C@@H]1C ZINC000588150467 348773704 /nfs/dbraw/zinc/77/37/04/348773704.db2.gz VQLQZDLGRVCLKZ-LSDHHAIUSA-N 0 3 279.428 2.840 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)CCCCCC#N ZINC000588165671 348776685 /nfs/dbraw/zinc/77/66/85/348776685.db2.gz ATGGASWLKOKXHB-CQSZACIVSA-N 0 3 279.428 2.697 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCCCCC#N)CC1 ZINC000588350116 348784196 /nfs/dbraw/zinc/78/41/96/348784196.db2.gz HRZUXSSLCXTXKN-UHFFFAOYSA-N 0 3 277.412 2.617 20 30 CFEDHN N#CCCCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000588343374 348784406 /nfs/dbraw/zinc/78/44/06/348784406.db2.gz WUKBGVSIDQOTJO-INIZCTEOSA-N 0 3 291.439 2.937 20 30 CFEDHN COC(C)(C)[C@H](C)NCc1ccc(C#N)cc1F ZINC000585726020 348740826 /nfs/dbraw/zinc/74/08/26/348740826.db2.gz PIWGULHGLLHJMA-JTQLQIEISA-N 0 3 250.317 2.600 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000586794029 348753289 /nfs/dbraw/zinc/75/32/89/348753289.db2.gz ADCHEHBRMWBRPG-JTQLQIEISA-N 0 3 271.320 2.878 20 30 CFEDHN Cc1nsc(NC[C@H](C)N2CCC[C@@H](C)C2)c1C#N ZINC000587210548 348762009 /nfs/dbraw/zinc/76/20/09/348762009.db2.gz NXYOOVCNGJZTPF-MNOVXSKESA-N 0 3 278.425 2.856 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)s1 ZINC000589938586 348864758 /nfs/dbraw/zinc/86/47/58/348864758.db2.gz ZCBXBGNHYGBZPY-KWQFWETISA-N 0 3 290.310 2.555 20 30 CFEDHN Cn1ccc(CN[C@H](CCCC#N)c2ccccc2)cc1=O ZINC000590123288 348876551 /nfs/dbraw/zinc/87/65/51/348876551.db2.gz UCDRCXXWCVWDCJ-QGZVFWFLSA-N 0 3 295.386 2.910 20 30 CFEDHN Cc1cccc(CN(CCN(C)C)C(=O)CC2(C#N)CC2)c1 ZINC000590218147 348885902 /nfs/dbraw/zinc/88/59/02/348885902.db2.gz JADIKNVZUPSQAO-UHFFFAOYSA-N 0 3 299.418 2.579 20 30 CFEDHN C=CCCCCN1CCC(COC)(C(=O)OCC)CC1 ZINC000590733702 348938749 /nfs/dbraw/zinc/93/87/49/348938749.db2.gz WHIOGAUTEPYMPS-UHFFFAOYSA-N 0 3 283.412 2.634 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCCC2 ZINC000590739057 348940199 /nfs/dbraw/zinc/94/01/99/348940199.db2.gz KCNRQTDWRGPPIR-HOTGVXAUSA-N 0 3 285.391 2.781 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC(=O)CC1(C#N)CC1)c1ccco1 ZINC000590759005 348943825 /nfs/dbraw/zinc/94/38/25/348943825.db2.gz VRXSFUJNLKPRCX-STQMWFEESA-N 0 3 289.379 2.519 20 30 CFEDHN CCN1C[C@H](CN(C)[C@H](C)CCC#N)Oc2ccccc21 ZINC000591010425 348977656 /nfs/dbraw/zinc/97/76/56/348977656.db2.gz VPHXLPTYUAWRLD-CABCVRRESA-N 0 3 287.407 2.898 20 30 CFEDHN N#CC1(CCN2CCC(OCCCO)CC2)CCCCC1 ZINC000591016046 348978190 /nfs/dbraw/zinc/97/81/90/348978190.db2.gz JDYPATLXDMTRCA-UHFFFAOYSA-N 0 3 294.439 2.714 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)C[C@H](O)C1CC1 ZINC000591016457 348978387 /nfs/dbraw/zinc/97/83/87/348978387.db2.gz XHAWLDXOTWMHMI-AWEZNQCLSA-N 0 3 250.386 2.553 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000591026507 348980059 /nfs/dbraw/zinc/98/00/59/348980059.db2.gz CVMHOBBKYHYYFE-SWLSCSKDSA-N 0 3 262.328 2.971 20 30 CFEDHN COc1ccc(C[C@@H](C)NCc2ccc(C#N)cc2F)cn1 ZINC000591238987 349001985 /nfs/dbraw/zinc/00/19/85/349001985.db2.gz DIEUKJYZPMEAGX-GFCCVEGCSA-N 0 3 299.349 2.822 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCC2)C1 ZINC000591061923 348982877 /nfs/dbraw/zinc/98/28/77/348982877.db2.gz ONOGWPXUTUKUPZ-UKPHBRMFSA-N 0 3 291.439 2.551 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000591056280 348983079 /nfs/dbraw/zinc/98/30/79/348983079.db2.gz TXQHJKLEJAGSKM-KRWDZBQOSA-N 0 3 286.375 2.642 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCN(C)C[C@@H]1C(C)C ZINC000591849377 349050883 /nfs/dbraw/zinc/05/08/83/349050883.db2.gz KLHSEDHMKSCJHD-QGZVFWFLSA-N 0 3 271.408 2.639 20 30 CFEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(Cl)cc1C#N ZINC000591850028 349050950 /nfs/dbraw/zinc/05/09/50/349050950.db2.gz RCMCSLUBRHKZTL-OAHLLOKOSA-N 0 3 277.799 2.738 20 30 CFEDHN CC[C@@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCC#N ZINC000591614076 349034313 /nfs/dbraw/zinc/03/43/13/349034313.db2.gz GHJYUMAOUJJTRW-HZPDHXFCSA-N 0 3 285.391 2.544 20 30 CFEDHN Cc1cn2c(CN[C@@H]3CC[C@H](C#N)C3)c(C)nc2s1 ZINC000591640158 349036021 /nfs/dbraw/zinc/03/60/21/349036021.db2.gz CGXILDLDIGRZFV-NWDGAFQWSA-N 0 3 274.393 2.795 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Oc3ccccc3)C2)C1 ZINC000592136410 349089239 /nfs/dbraw/zinc/08/92/39/349089239.db2.gz SXEWHFXOEXBJKU-FMKPAKJESA-N 0 3 256.349 2.832 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2cc3ccccc3s2)C1 ZINC000592150803 349091529 /nfs/dbraw/zinc/09/15/29/349091529.db2.gz GWRDAJILBILSTB-OAHLLOKOSA-N 0 3 272.373 2.752 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2ccc(C3CCC3)cc2)C1 ZINC000592155243 349092160 /nfs/dbraw/zinc/09/21/60/349092160.db2.gz YZPLAOBZKIFBEW-QGZVFWFLSA-N 0 3 270.376 2.805 20 30 CFEDHN CC(C)O[C@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592153599 349092402 /nfs/dbraw/zinc/09/24/02/349092402.db2.gz NTJCJQHXCJSOIC-IAGOWNOFSA-N 0 3 288.391 2.503 20 30 CFEDHN N#CC1(CCCN2CCOC[C@@H]2C2CCC2)CCOCC1 ZINC000592155925 349092795 /nfs/dbraw/zinc/09/27/95/349092795.db2.gz UXYIOIMDCJNXLM-MRXNPFEDSA-N 0 3 292.423 2.588 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157212 349093623 /nfs/dbraw/zinc/09/36/23/349093623.db2.gz OSINWSJFZGLFBP-CQSZACIVSA-N 0 3 297.439 2.757 20 30 CFEDHN Cc1ccccc1-n1cc(CNCC2(CC#N)CC2)cn1 ZINC000592366626 349110616 /nfs/dbraw/zinc/11/06/16/349110616.db2.gz FKBISOLYTAWRFO-UHFFFAOYSA-N 0 3 280.375 2.964 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000592374772 349111173 /nfs/dbraw/zinc/11/11/73/349111173.db2.gz IMQGVMDCSMYWNB-GASCZTMLSA-N 0 3 258.365 2.994 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1cc(CC)ncn1)C(C)C ZINC000592455192 349122602 /nfs/dbraw/zinc/12/26/02/349122602.db2.gz KUZLOEPPYGJYHX-MRXNPFEDSA-N 0 3 288.439 2.571 20 30 CFEDHN CCC[C@@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000592507636 349129703 /nfs/dbraw/zinc/12/97/03/349129703.db2.gz VPKJKRIWVRYYQI-OAHLLOKOSA-N 0 3 283.379 2.756 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)[C@H]1C(C)C ZINC000592515193 349130752 /nfs/dbraw/zinc/13/07/52/349130752.db2.gz SZTWMBDIEQQIKU-HOTGVXAUSA-N 0 3 297.406 2.713 20 30 CFEDHN CCC[C@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592522234 349132748 /nfs/dbraw/zinc/13/27/48/349132748.db2.gz JPXXVLSASSICEY-IAGOWNOFSA-N 0 3 272.392 2.921 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000592522990 349132787 /nfs/dbraw/zinc/13/27/87/349132787.db2.gz VCVHDGNBDSSMQD-GOSISDBHSA-N 0 3 293.370 2.599 20 30 CFEDHN C=CCN(CCc1cncc(C)n1)Cc1cccc(C#N)c1 ZINC000593002537 349184741 /nfs/dbraw/zinc/18/47/41/349184741.db2.gz DMZLZFYWQWXHHX-UHFFFAOYSA-N 0 3 292.386 2.887 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccccc1F ZINC000592832262 349169506 /nfs/dbraw/zinc/16/95/06/349169506.db2.gz RXNYAVNHUGDATM-BLLLJJGKSA-N 0 3 274.339 2.909 20 30 CFEDHN CC[C@H](NCCOCCC#N)c1ccccc1F ZINC000593061005 349198364 /nfs/dbraw/zinc/19/83/64/349198364.db2.gz MUUKMOPNQWJILJ-AWEZNQCLSA-N 0 3 250.317 2.797 20 30 CFEDHN C=C(Cl)CNCc1cc(OC)ccc1OCOC ZINC000271169763 190975561 /nfs/dbraw/zinc/97/55/61/190975561.db2.gz BTXQGHBCXBZGQC-UHFFFAOYSA-N 0 3 271.744 2.520 20 30 CFEDHN CN(C(=O)CNC1(C2CCC2)CC1)C1(C#N)CCCCC1 ZINC000593078857 349202846 /nfs/dbraw/zinc/20/28/46/349202846.db2.gz CFVKTKUYODNKHL-UHFFFAOYSA-N 0 3 289.423 2.594 20 30 CFEDHN N#Cc1ccc(N2CC[C@H](NC3(C4CCC4)CC3)C2=O)cc1 ZINC000593080227 349203067 /nfs/dbraw/zinc/20/30/67/349203067.db2.gz KIZILWFEFIAHJC-INIZCTEOSA-N 0 3 295.386 2.586 20 30 CFEDHN Cc1c(Cl)cnc(N(C)CCN2CCCCC2)c1C#N ZINC000593515754 349288848 /nfs/dbraw/zinc/28/88/48/349288848.db2.gz JXPYBIZXZBENBJ-UHFFFAOYSA-N 0 3 292.814 2.837 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000593341101 349250814 /nfs/dbraw/zinc/25/08/14/349250814.db2.gz LGDXUABLENHNMB-IUODEOHRSA-N 0 3 283.375 2.791 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2ccc(C(=O)OC)o2)C1 ZINC000593627451 349301162 /nfs/dbraw/zinc/30/11/62/349301162.db2.gz DUOJIJGZAWXKHY-NWDGAFQWSA-N 0 3 263.337 2.901 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)nc1 ZINC000593969343 349342702 /nfs/dbraw/zinc/34/27/02/349342702.db2.gz DEYCQSSPDIKORZ-HUUCEWRRSA-N 0 3 285.391 2.592 20 30 CFEDHN Cn1cc([C@@H]2CN([C@@H]3CC[C@H](C#N)C3)CC2(C)C)cn1 ZINC000593998768 349349232 /nfs/dbraw/zinc/34/92/32/349349232.db2.gz YOSYKLQOKAFNJC-CFVMTHIKSA-N 0 3 272.396 2.538 20 30 CFEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CCCCC#N ZINC000594037658 349358915 /nfs/dbraw/zinc/35/89/15/349358915.db2.gz PMDVQEBZGPVKKH-MRXNPFEDSA-N 0 3 299.418 2.980 20 30 CFEDHN CC(C)[C@@H]1C[C@@H](NCC2(C#N)CCCC2)CCO1 ZINC000593653281 349305269 /nfs/dbraw/zinc/30/52/69/349305269.db2.gz HIHIDEZIQSGKIT-KBPBESRZSA-N 0 3 250.386 2.864 20 30 CFEDHN CN(C)[C@@H](CNc1cccnc1C#N)c1cccs1 ZINC000274023727 192407706 /nfs/dbraw/zinc/40/77/06/192407706.db2.gz LVCRSRHPJRTNHS-ZDUSSCGKSA-N 0 3 272.377 2.730 20 30 CFEDHN C[C@H](CCO)N(C)Cc1cccc(OCCCC#N)c1 ZINC000593693588 349310441 /nfs/dbraw/zinc/31/04/41/349310441.db2.gz ABRLLGBZMIIKMI-CQSZACIVSA-N 0 3 276.380 2.572 20 30 CFEDHN CN(CCN1CCCCC1)Cc1cc(C#N)cs1 ZINC000593703237 349312968 /nfs/dbraw/zinc/31/29/68/349312968.db2.gz RHDYIPCDQBDBGG-UHFFFAOYSA-N 0 3 263.410 2.537 20 30 CFEDHN CC[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594438798 349422435 /nfs/dbraw/zinc/42/24/35/349422435.db2.gz XEMGMRODOOGJJO-IRXDYDNUSA-N 0 3 299.418 2.761 20 30 CFEDHN CCc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1C ZINC000594437323 349422560 /nfs/dbraw/zinc/42/25/60/349422560.db2.gz MZAJKOJFROOHMT-OAHLLOKOSA-N 0 3 273.380 2.907 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2cccnc21 ZINC000594441127 349422737 /nfs/dbraw/zinc/42/27/37/349422737.db2.gz NKLRVDIBSSUUGD-CYBMUJFWSA-N 0 3 282.347 2.585 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2ccncc21 ZINC000594437207 349422755 /nfs/dbraw/zinc/42/27/55/349422755.db2.gz JFEJNAUBHDDLLG-AWEZNQCLSA-N 0 3 282.347 2.585 20 30 CFEDHN CC[C@H]1Cc2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000594438796 349422966 /nfs/dbraw/zinc/42/29/66/349422966.db2.gz XEMGMRODOOGJJO-DLBZAZTESA-N 0 3 299.418 2.761 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(C(F)F)cc1 ZINC000594437732 349423003 /nfs/dbraw/zinc/42/30/03/349423003.db2.gz OWHNOBAGSWOYQC-CYBMUJFWSA-N 0 3 295.333 2.652 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CCCC[C@H]1C ZINC000594437433 349423024 /nfs/dbraw/zinc/42/30/24/349423024.db2.gz WBMTXVQASPNDHS-KFWWJZLASA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H](N)CCCCC#N ZINC000594442970 349423696 /nfs/dbraw/zinc/42/36/96/349423696.db2.gz DUNGFVUQIZZUSE-HYVNUMGLSA-N 0 3 299.418 2.802 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594442401 349423903 /nfs/dbraw/zinc/42/39/03/349423903.db2.gz FIGIHNIYZDLUEE-SOUVJXGZSA-N 0 3 279.428 2.825 20 30 CFEDHN CC(C)CC1(CNC(=O)[C@H](N)CCCCC#N)CCC1 ZINC000594444005 349423915 /nfs/dbraw/zinc/42/39/15/349423915.db2.gz JAWGGYNQQLDEMK-CQSZACIVSA-N 0 3 279.428 2.730 20 30 CFEDHN CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594445070 349424630 /nfs/dbraw/zinc/42/46/30/349424630.db2.gz OTEBWQOSJDHDHO-DLBZAZTESA-N 0 3 299.418 2.934 20 30 CFEDHN CC[C@@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCCC#N ZINC000594445071 349424702 /nfs/dbraw/zinc/42/47/02/349424702.db2.gz OTEBWQOSJDHDHO-IAGOWNOFSA-N 0 3 299.418 2.934 20 30 CFEDHN CCCN1CC[C@@H](NC(=O)Nc2scc(C)c2C#N)C1 ZINC000596902517 350003689 /nfs/dbraw/zinc/00/36/89/350003689.db2.gz DKZYXWLMUFDJQT-LLVKDONJSA-N 0 3 292.408 2.534 20 30 CFEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCO1 ZINC000596982788 350011362 /nfs/dbraw/zinc/01/13/62/350011362.db2.gz JKWZICJTCUTXJT-INIZCTEOSA-N 0 3 270.376 2.853 20 30 CFEDHN CCN(CCOC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979822 350011804 /nfs/dbraw/zinc/01/18/04/350011804.db2.gz PWLIAMRVVCBOGM-UHFFFAOYSA-N 0 3 258.365 2.710 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)[C@H](C#N)CC ZINC000594362098 349411175 /nfs/dbraw/zinc/41/11/75/349411175.db2.gz PYQDFGTZSZKJFX-NSHDSACASA-N 0 3 274.368 2.592 20 30 CFEDHN CC[C@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594425543 349416933 /nfs/dbraw/zinc/41/69/33/349416933.db2.gz KSHGYTOXZGTLTG-ZBFHGGJFSA-N 0 3 287.407 2.708 20 30 CFEDHN C[C@@H](c1ccccc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594425250 349417007 /nfs/dbraw/zinc/41/70/07/349417007.db2.gz GWGFRJORWSTQEC-DZGCQCFKSA-N 0 3 273.380 2.617 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1F ZINC000594424417 349417283 /nfs/dbraw/zinc/41/72/83/349417283.db2.gz DGQVUBIRIQBNQQ-LLVKDONJSA-N 0 3 283.734 2.829 20 30 CFEDHN CC(C)c1csc(NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000594425968 349417872 /nfs/dbraw/zinc/41/78/72/349417872.db2.gz BUCLZFZXXWERIE-JTQLQIEISA-N 0 3 280.397 2.616 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000594427236 349418829 /nfs/dbraw/zinc/41/88/29/349418829.db2.gz HTYZLDODJMRLBK-CYBMUJFWSA-N 0 3 297.761 2.507 20 30 CFEDHN Cc1ccccc1[C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594428829 349419881 /nfs/dbraw/zinc/41/98/81/349419881.db2.gz OYTTXCXURHDFGQ-HOCLYGCPSA-N 0 3 287.407 2.926 20 30 CFEDHN CC(C)(C)C[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594431286 349420516 /nfs/dbraw/zinc/42/05/16/349420516.db2.gz KYHLKLOKKTVTFZ-ZIAGYGMSSA-N 0 3 279.428 2.825 20 30 CFEDHN CC(C)C[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594433645 349420859 /nfs/dbraw/zinc/42/08/59/349420859.db2.gz QBCOUOBWXRMFOU-LSDHHAIUSA-N 0 3 279.428 2.825 20 30 CFEDHN Cc1cccc([C@@H](C)CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594432684 349421008 /nfs/dbraw/zinc/42/10/08/349421008.db2.gz FZYGVZYVFWRGHB-HOCLYGCPSA-N 0 3 287.407 2.626 20 30 CFEDHN CC1(C)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594436499 349421346 /nfs/dbraw/zinc/42/13/46/349421346.db2.gz IYBCUUZOZBZGJT-JKSUJKDBSA-N 0 3 299.418 2.936 20 30 CFEDHN C[C@@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594434274 349421659 /nfs/dbraw/zinc/42/16/59/349421659.db2.gz MBYLBJWOTLJFFY-UKRRQHHQSA-N 0 3 285.391 2.623 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594434594 349421666 /nfs/dbraw/zinc/42/16/66/349421666.db2.gz PWIBVNWEYNZZJD-GDBMZVCRSA-N 0 3 287.407 2.892 20 30 CFEDHN Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H](N)CCCCC#N ZINC000594434511 349421857 /nfs/dbraw/zinc/42/18/57/349421857.db2.gz NWCLTQDHQXWJEO-HOTGVXAUSA-N 0 3 285.391 2.510 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000668740250 539744599 /nfs/dbraw/zinc/74/45/99/539744599.db2.gz SCLMFFNMYNVWID-RHSMWYFYSA-N 0 3 275.392 2.702 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC(C(F)(F)F)C1 ZINC000597312533 350081597 /nfs/dbraw/zinc/08/15/97/350081597.db2.gz LOQHTJGQEOUJRY-GFCCVEGCSA-N 0 3 296.292 2.780 20 30 CFEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597135908 350036479 /nfs/dbraw/zinc/03/64/79/350036479.db2.gz PHRCEFHFUOYUJS-KRWDZBQOSA-N 0 3 283.419 2.768 20 30 CFEDHN C[C@H](O)CN(Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597159881 350041695 /nfs/dbraw/zinc/04/16/95/350041695.db2.gz SLZCNUHJSSNVSJ-ZDUSSCGKSA-N 0 3 270.376 2.587 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 ZINC000597172749 350043142 /nfs/dbraw/zinc/04/31/42/350043142.db2.gz DQQMHWLCPSMKDN-ZDUSSCGKSA-N 0 3 256.349 2.747 20 30 CFEDHN COCCC1CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000597183023 350046312 /nfs/dbraw/zinc/04/63/12/350046312.db2.gz IFBWDOOJAUJDBR-UHFFFAOYSA-N 0 3 272.392 2.956 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000597187989 350048151 /nfs/dbraw/zinc/04/81/51/350048151.db2.gz WALYZSVYBYWPKM-CYBMUJFWSA-N 0 3 276.380 2.600 20 30 CFEDHN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1cc(C#N)cs1 ZINC000597240883 350069635 /nfs/dbraw/zinc/06/96/35/350069635.db2.gz QBGBMUXZBNHNSZ-UKRRQHHQSA-N 0 3 292.404 2.831 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000597628762 350119501 /nfs/dbraw/zinc/11/95/01/350119501.db2.gz HMBAVSNNFMTYKV-BXUZGUMPSA-N 0 3 293.798 2.609 20 30 CFEDHN C[C@@H](CC#N)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000597655937 350120992 /nfs/dbraw/zinc/12/09/92/350120992.db2.gz HHVLDIWDRHGNTA-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CCCN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCN(C)C1 ZINC000597797726 350136959 /nfs/dbraw/zinc/13/69/59/350136959.db2.gz GIINNEAVBUEUNP-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN Cc1cc(Br)c(CNC(=O)C(C)C#N)s1 ZINC000598218769 350218357 /nfs/dbraw/zinc/21/83/57/350218357.db2.gz CSKYQTNBWCUHRU-LURJTMIESA-N 0 3 287.182 2.595 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000598223775 350220122 /nfs/dbraw/zinc/22/01/22/350220122.db2.gz MZJCHPRDOPQETG-SMDDNHRTSA-N 0 3 290.338 2.664 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598263190 350226000 /nfs/dbraw/zinc/22/60/00/350226000.db2.gz PWPUHQZGFDULGH-OAHLLOKOSA-N 0 3 299.418 2.717 20 30 CFEDHN CCCN1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000598341597 350241064 /nfs/dbraw/zinc/24/10/64/350241064.db2.gz DKSSZMSSUFMZGH-INIZCTEOSA-N 0 3 299.418 2.702 20 30 CFEDHN CC(C#N)C(=O)N1CCC2(CCc3ccccc3O2)CC1 ZINC000598398848 350256343 /nfs/dbraw/zinc/25/63/43/350256343.db2.gz LSYNEAOFIZAJSA-ZDUSSCGKSA-N 0 3 284.359 2.532 20 30 CFEDHN CC1(C)CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598504633 350277898 /nfs/dbraw/zinc/27/78/98/350277898.db2.gz KQHMAKQCZHDFLB-AWEZNQCLSA-N 0 3 281.359 2.545 20 30 CFEDHN CC[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)N1 ZINC000598532199 350280020 /nfs/dbraw/zinc/28/00/20/350280020.db2.gz URGHFSISXFLXSV-XJKSGUPXSA-N 0 3 299.418 2.700 20 30 CFEDHN COc1ccccc1C1(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598624913 350296552 /nfs/dbraw/zinc/29/65/52/350296552.db2.gz LSSQWRBVADVBAS-ZDUSSCGKSA-N 0 3 288.391 2.575 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC(Cc2ccsc2)C1 ZINC000598705594 350314561 /nfs/dbraw/zinc/31/45/61/350314561.db2.gz KVMPLVSEVQGLDW-CQSZACIVSA-N 0 3 278.421 2.523 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000598723043 350318702 /nfs/dbraw/zinc/31/87/02/350318702.db2.gz CZACKQTVUTYZAO-MISXGVKJSA-N 0 3 294.345 2.711 20 30 CFEDHN C[C@@H]1C[C@@H](NC[C@H](O)CC(C)(C)C#N)c2ccccc2O1 ZINC000598727840 350319996 /nfs/dbraw/zinc/31/99/96/350319996.db2.gz KANQHEOXUUUOGK-UMVBOHGHSA-N 0 3 288.391 2.789 20 30 CFEDHN C[C@@H]1C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c2ccccc2O1 ZINC000598727841 350320333 /nfs/dbraw/zinc/32/03/33/350320333.db2.gz KANQHEOXUUUOGK-VNHYZAJKSA-N 0 3 288.391 2.789 20 30 CFEDHN C[C@@H](c1ccco1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586594 350286112 /nfs/dbraw/zinc/28/61/12/350286112.db2.gz ISSVEXYSVXVFJT-NWDGAFQWSA-N 0 3 250.342 2.573 20 30 CFEDHN COc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598598559 350289803 /nfs/dbraw/zinc/28/98/03/350289803.db2.gz BDXIYSQJZNGKNM-YPMHNXCESA-N 0 3 294.370 2.786 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1cccnc1 ZINC000598598942 350290696 /nfs/dbraw/zinc/29/06/96/350290696.db2.gz JZAYMDAXHUJDKS-CABCVRRESA-N 0 3 273.380 2.519 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1cccnc1 ZINC000598598945 350291029 /nfs/dbraw/zinc/29/10/29/350291029.db2.gz JZAYMDAXHUJDKS-LSDHHAIUSA-N 0 3 273.380 2.519 20 30 CFEDHN COc1ccc(F)cc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598599162 350291180 /nfs/dbraw/zinc/29/11/80/350291180.db2.gz AJRLJJQREMAQIA-WCQYABFASA-N 0 3 294.370 2.786 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000598602859 350292157 /nfs/dbraw/zinc/29/21/57/350292157.db2.gz CHZOYUOTSLDWGM-HNNXBMFYSA-N 0 3 284.403 2.835 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000598602564 350292224 /nfs/dbraw/zinc/29/22/24/350292224.db2.gz TWYGZIXMGPUGIX-JKSUJKDBSA-N 0 3 285.391 2.922 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCC(C)(C)N1CCCCC1 ZINC000598969616 350351810 /nfs/dbraw/zinc/35/18/10/350351810.db2.gz OMZHBWZJKKLLSL-UHFFFAOYSA-N 0 3 279.428 2.697 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCN2CC(F)F)c(F)c1 ZINC000598988985 350354692 /nfs/dbraw/zinc/35/46/92/350354692.db2.gz WGOUAIGTHFYKDJ-ZDUSSCGKSA-N 0 3 297.324 2.516 20 30 CFEDHN C/C=C\CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000599004847 350358258 /nfs/dbraw/zinc/35/82/58/350358258.db2.gz JDOMFEHXUOVNRH-ARJAWSKDSA-N 0 3 266.348 2.624 20 30 CFEDHN COC(=O)[C@H](C)CN(Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599282445 350405892 /nfs/dbraw/zinc/40/58/92/350405892.db2.gz QPPZHGWGBKNGQK-CYBMUJFWSA-N 0 3 286.375 2.640 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000599147415 350385082 /nfs/dbraw/zinc/38/50/82/350385082.db2.gz OCAUFNSVBDZVBV-KGLIPLIRSA-N 0 3 279.428 2.553 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000599184749 350392088 /nfs/dbraw/zinc/39/20/88/350392088.db2.gz ODKAJVOYVVVQOG-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN CCCNC(=O)C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599259571 350400737 /nfs/dbraw/zinc/40/07/37/350400737.db2.gz MWLYHWWKXDHOEG-UHFFFAOYSA-N 0 3 299.418 2.605 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2[C@@H](C)O)cc1C#N ZINC000599298280 350408899 /nfs/dbraw/zinc/40/88/99/350408899.db2.gz XHMWTBAICFKGAS-CJNGLKHVSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1cccnc1[C@H](NC[C@H](O)CC1(C#N)CC1)C(C)C ZINC000599327449 350415002 /nfs/dbraw/zinc/41/50/02/350415002.db2.gz IIPRXMSQSGRMNK-HUUCEWRRSA-N 0 3 287.407 2.732 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000599526913 350450630 /nfs/dbraw/zinc/45/06/30/350450630.db2.gz WJXCDNRWUCKEFP-CYBMUJFWSA-N 0 3 256.349 2.965 20 30 CFEDHN CC#CCCN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599590845 350461603 /nfs/dbraw/zinc/46/16/03/350461603.db2.gz RNQUVRZLUHTBQI-UONOGXRCSA-N 0 3 265.397 2.700 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](CCO)CC2)cc1C#N ZINC000599439931 350439791 /nfs/dbraw/zinc/43/97/91/350439791.db2.gz BAVKSGMRFNOXCE-HNNXBMFYSA-N 0 3 272.392 2.851 20 30 CFEDHN CC(C)OCCNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000599633706 350469322 /nfs/dbraw/zinc/46/93/22/350469322.db2.gz GWIIMZRNRRSUNA-UHFFFAOYSA-N 0 3 288.391 2.579 20 30 CFEDHN CCc1ccc([C@@H](CNc2cnc(C#N)cn2)N(C)C)cc1 ZINC000106462574 186118834 /nfs/dbraw/zinc/11/88/34/186118834.db2.gz SEPSCXGTENHKRZ-MRXNPFEDSA-N 0 3 295.390 2.625 20 30 CFEDHN C=C(CC)CN1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599665100 350476012 /nfs/dbraw/zinc/47/60/12/350476012.db2.gz GUGLCSXRIITFRU-HNNXBMFYSA-N 0 3 259.349 2.725 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1cc(C#N)ccc1OC ZINC000599672636 350477399 /nfs/dbraw/zinc/47/73/99/350477399.db2.gz HRAWHYNJZZSNHE-UHFFFAOYSA-N 0 3 276.380 2.550 20 30 CFEDHN N#CCSCCCN1CCc2c(CC#N)cccc2C1 ZINC000599678332 350480203 /nfs/dbraw/zinc/48/02/03/350480203.db2.gz IDKLEMWYAGYEMZ-UHFFFAOYSA-N 0 3 285.416 2.758 20 30 CFEDHN COCCCCCN1CCc2c(CC#N)cccc2C1 ZINC000599679643 350480976 /nfs/dbraw/zinc/48/09/76/350480976.db2.gz WFLRDKMZHAQBBL-UHFFFAOYSA-N 0 3 272.392 2.927 20 30 CFEDHN COc1ccc([C@H]2CCN(CCCC#N)C2)cc1F ZINC000599679789 350481091 /nfs/dbraw/zinc/48/10/91/350481091.db2.gz OWBZEDJUNQTRAL-ZDUSSCGKSA-N 0 3 262.328 2.927 20 30 CFEDHN C/C=C\C[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600212145 350540985 /nfs/dbraw/zinc/54/09/85/350540985.db2.gz AQNIPMJSFWZIGM-SFAKSCPVSA-N 0 3 295.390 2.779 20 30 CFEDHN C=CC(C)(C)CNCc1cccc(C(=O)OCC)n1 ZINC000600160776 350524349 /nfs/dbraw/zinc/52/43/49/350524349.db2.gz FLEZOVUMKZNCTL-UHFFFAOYSA-N 0 3 262.353 2.560 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000600364453 350550554 /nfs/dbraw/zinc/55/05/54/350550554.db2.gz KXTCTGAYBSIYGJ-IXDOHACOSA-N 0 3 298.386 2.539 20 30 CFEDHN Cc1c(CNC[C@H](O)CC2(C#N)CC2)oc2ccccc12 ZINC000600725808 350602431 /nfs/dbraw/zinc/60/24/31/350602431.db2.gz KFJSYNYLBGLEKD-CYBMUJFWSA-N 0 3 284.359 2.886 20 30 CFEDHN CC(C)Oc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600718204 350600690 /nfs/dbraw/zinc/60/06/90/350600690.db2.gz OHSNQBZDJOCKAA-HNNXBMFYSA-N 0 3 288.391 2.618 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CN(C)C1CCC1 ZINC000600830801 350617648 /nfs/dbraw/zinc/61/76/48/350617648.db2.gz ZSDUPDFGCBQIRA-ZDUSSCGKSA-N 0 3 285.391 2.562 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)[C@H](C)O1 ZINC000600859780 350620224 /nfs/dbraw/zinc/62/02/24/350620224.db2.gz LWKZEFIDXNZKCI-DVOMOZLQSA-N 0 3 270.376 2.897 20 30 CFEDHN COc1ccc(-c2cccc([C@@H]3CNCCO3)c2)c(C#N)c1 ZINC000600790293 350612831 /nfs/dbraw/zinc/61/28/31/350612831.db2.gz JAOYRLBZZIMEMC-SFHVURJKSA-N 0 3 294.354 2.895 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](CCc1ccccc1)C(F)F ZINC000600793825 350613717 /nfs/dbraw/zinc/61/37/17/350613717.db2.gz PJJVAMRTXYVWKV-YPMHNXCESA-N 0 3 280.318 2.871 20 30 CFEDHN CCC[C@@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975820 350640422 /nfs/dbraw/zinc/64/04/22/350640422.db2.gz KUSMUVNWKSZQTR-LLVKDONJSA-N 0 3 275.743 2.592 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000110991958 186339967 /nfs/dbraw/zinc/33/99/67/186339967.db2.gz KLKPYNTXRXVWCW-FVNWOWOISA-N 0 3 297.402 2.562 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ncc(C#N)c3ccsc32)CN1C1CC1 ZINC000601127871 350675877 /nfs/dbraw/zinc/67/58/77/350675877.db2.gz TUDQWUVCLSLOAP-ZYHUDNBSSA-N 0 3 298.415 2.627 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1ncc(C#N)c2ccsc21 ZINC000601175896 350689578 /nfs/dbraw/zinc/68/95/78/350689578.db2.gz RKEMBCNFKLPVLL-GFCCVEGCSA-N 0 3 286.404 2.698 20 30 CFEDHN CCOC(=O)C1(C)CC(N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000601277581 350715776 /nfs/dbraw/zinc/71/57/76/350715776.db2.gz GCJGWWDNLXTNHL-BFHRDPOASA-N 0 3 298.386 2.867 20 30 CFEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000601284282 350717155 /nfs/dbraw/zinc/71/71/55/350717155.db2.gz DLMYYEKEAKBIJL-HNKHHVNMSA-N 0 3 256.349 2.798 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cccc3c2CCOC3)C1 ZINC000601304008 350719747 /nfs/dbraw/zinc/71/97/47/350719747.db2.gz KDVSEEPQEGBLDB-IUODEOHRSA-N 0 3 256.349 2.541 20 30 CFEDHN Cc1scc(CNC[C@@H](O)CC2(C#N)CC2)c1C ZINC000601968990 350820881 /nfs/dbraw/zinc/82/08/81/350820881.db2.gz QGVOYAXQMGUSHV-ZDUSSCGKSA-N 0 3 264.394 2.509 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000601888647 350798075 /nfs/dbraw/zinc/79/80/75/350798075.db2.gz CNWDVRKKHUUMPW-YNEHKIRRSA-N 0 3 296.292 2.826 20 30 CFEDHN N#Cc1c(F)cccc1CNCC1CCSCC1 ZINC000602009590 350829745 /nfs/dbraw/zinc/82/97/45/350829745.db2.gz YXGRYMOFFVNBIO-UHFFFAOYSA-N 0 3 264.369 2.930 20 30 CFEDHN N#Cc1c(F)cccc1CNCC1(CCO)CCCC1 ZINC000602010947 350830787 /nfs/dbraw/zinc/83/07/87/350830787.db2.gz GFHYRGNQCGZOMA-UHFFFAOYSA-N 0 3 276.355 2.730 20 30 CFEDHN CCC(CC)(CCO)CNCc1cccc(F)c1C#N ZINC000602010941 350830798 /nfs/dbraw/zinc/83/07/98/350830798.db2.gz FZYMATKJCMEVJB-UHFFFAOYSA-N 0 3 278.371 2.976 20 30 CFEDHN CC[C@H](C[C@H](C)CO)NCc1cccc(F)c1C#N ZINC000602015201 350832059 /nfs/dbraw/zinc/83/20/59/350832059.db2.gz ZGVKOLNKBBWKBE-WCQYABFASA-N 0 3 264.344 2.584 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCN1C1CCCC1 ZINC000602016589 350832442 /nfs/dbraw/zinc/83/24/42/350832442.db2.gz HHNMYBODVISGMV-HNNXBMFYSA-N 0 3 287.382 2.804 20 30 CFEDHN CN(CC(=O)N1CCCC(C)(C)[C@@H]1C#N)CC(C)(C)C ZINC000602140010 350845964 /nfs/dbraw/zinc/84/59/64/350845964.db2.gz HOAFOOFWVLJMAC-ZDUSSCGKSA-N 0 3 279.428 2.505 20 30 CFEDHN CC(C#N)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000602200988 350851491 /nfs/dbraw/zinc/85/14/91/350851491.db2.gz DBNVPKILYMBQCQ-SSDOTTSWSA-N 0 3 288.681 2.717 20 30 CFEDHN CO[C@@]1(C)C[C@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602482901 350901224 /nfs/dbraw/zinc/90/12/24/350901224.db2.gz JHIMUCRILBLIEZ-HOCLYGCPSA-N 0 3 273.380 2.589 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCN(c3ccccc3)C2)n1 ZINC000602512585 350911552 /nfs/dbraw/zinc/91/15/52/350911552.db2.gz VMXAXIVNUOZXJT-OAHLLOKOSA-N 0 3 292.386 2.569 20 30 CFEDHN C[C@@H](Cc1ccccc1F)NCc1cccc(C#N)n1 ZINC000602519400 350912847 /nfs/dbraw/zinc/91/28/47/350912847.db2.gz ZRHGMTDRYUAZGT-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)COCc1ccccc1 ZINC000602525454 350913925 /nfs/dbraw/zinc/91/39/25/350913925.db2.gz HSHIFOKDUWFQPR-OAHLLOKOSA-N 0 3 295.386 2.896 20 30 CFEDHN CCN[C@@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602533413 350916824 /nfs/dbraw/zinc/91/68/24/350916824.db2.gz XXNMABVTSWMTIW-AWEZNQCLSA-N 0 3 287.407 2.541 20 30 CFEDHN N#Cc1cccc(CNCCCc2cccc(F)c2)n1 ZINC000602539822 350917862 /nfs/dbraw/zinc/91/78/62/350917862.db2.gz LDJYXIFQGUGGCD-UHFFFAOYSA-N 0 3 269.323 2.815 20 30 CFEDHN COc1c(C)cc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000602561339 350924946 /nfs/dbraw/zinc/92/49/46/350924946.db2.gz DOURQGBNSUUFER-LLVKDONJSA-N 0 3 295.770 2.617 20 30 CFEDHN CO[C@@H](C)c1nc(CNC[C@H](C)CCC#N)cs1 ZINC000602564505 350926123 /nfs/dbraw/zinc/92/61/23/350926123.db2.gz MQBLFTYHXLWCKF-MNOVXSKESA-N 0 3 267.398 2.880 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000602572199 350929463 /nfs/dbraw/zinc/92/94/63/350929463.db2.gz YYFKMNWFWCFGRG-ZIAGYGMSSA-N 0 3 283.379 2.858 20 30 CFEDHN COc1cc(C)cc(NC(=O)[C@@H](N)CCCCC#N)c1C ZINC000602603395 350941355 /nfs/dbraw/zinc/94/13/55/350941355.db2.gz ROJUPTMLBSFVHH-ZDUSSCGKSA-N 0 3 289.379 2.662 20 30 CFEDHN C[C@@H](C1CC1)N(C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000602580054 350932875 /nfs/dbraw/zinc/93/28/75/350932875.db2.gz CQLUOLMPKWXLBA-XJKSGUPXSA-N 0 3 285.391 2.839 20 30 CFEDHN C[C@H](C1CC1)N(C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000602580052 350932984 /nfs/dbraw/zinc/93/29/84/350932984.db2.gz CQLUOLMPKWXLBA-CJNGLKHVSA-N 0 3 285.391 2.839 20 30 CFEDHN CC[C@@](C)(NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000602581558 350933755 /nfs/dbraw/zinc/93/37/55/350933755.db2.gz KHJCITMFJHLGSQ-GDBMZVCRSA-N 0 3 291.370 2.588 20 30 CFEDHN CCC(CC)[C@@H](CCNCc1cccc(C#N)n1)OC ZINC000602584067 350935127 /nfs/dbraw/zinc/93/51/27/350935127.db2.gz XTJOIWDOQQVRDX-MRXNPFEDSA-N 0 3 275.396 2.884 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000602436628 350881634 /nfs/dbraw/zinc/88/16/34/350881634.db2.gz YINQLOKDRWJYDK-MRXNPFEDSA-N 0 3 296.418 2.616 20 30 CFEDHN CCCN(Cc1cccc(C#N)n1)C[C@@H]1CCCCO1 ZINC000602464081 350891675 /nfs/dbraw/zinc/89/16/75/350891675.db2.gz JAXJJUKKVAARCC-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN CCC[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)OC ZINC000602651562 350962274 /nfs/dbraw/zinc/96/22/74/350962274.db2.gz JQFFLWDHFUMJRV-HNNXBMFYSA-N 0 3 287.407 2.754 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)n1 ZINC000602668878 350968398 /nfs/dbraw/zinc/96/83/98/350968398.db2.gz VFSRPQZWUILHLG-CABCVRRESA-N 0 3 285.391 2.592 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000602679801 350974472 /nfs/dbraw/zinc/97/44/72/350974472.db2.gz SCBOQHPVUUSLEM-HYVNUMGLSA-N 0 3 290.382 2.726 20 30 CFEDHN N#Cc1cccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)n1 ZINC000602679641 350975084 /nfs/dbraw/zinc/97/50/84/350975084.db2.gz ARHLCLZHLGYLQB-CVEARBPZSA-N 0 3 253.349 2.574 20 30 CFEDHN C[C@]12CN(Cc3cccc(C#N)n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000602685534 350978319 /nfs/dbraw/zinc/97/83/19/350978319.db2.gz IOCVCWCREIPRJN-DLTLXFJOSA-N 0 3 267.376 2.821 20 30 CFEDHN COc1cc(F)cc(C[C@H](C)NCc2cccc(C#N)n2)c1 ZINC000602685983 350978335 /nfs/dbraw/zinc/97/83/35/350978335.db2.gz MULAJQMDTWMGJK-LBPRGKRZSA-N 0 3 299.349 2.822 20 30 CFEDHN CC(C)[C@H](NCc1cccc(C#N)n1)C1(CO)CCCC1 ZINC000602686798 350979799 /nfs/dbraw/zinc/97/97/99/350979799.db2.gz HUQHYHYMZSJULN-INIZCTEOSA-N 0 3 287.407 2.620 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H]1c1ccco1 ZINC000602690930 350981306 /nfs/dbraw/zinc/98/13/06/350981306.db2.gz BAYWJKDFYSHAOW-MGPQQGTHSA-N 0 3 274.364 2.824 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](CCO)c1ccccc1F ZINC000602696878 350984397 /nfs/dbraw/zinc/98/43/97/350984397.db2.gz LIURQWRGSIZLFO-DOMZBBRYSA-N 0 3 264.344 2.779 20 30 CFEDHN C[C@@]1(CN2CC[C@@](O)(CC#N)C2)C[C@H]1c1ccccc1 ZINC000602696905 350984560 /nfs/dbraw/zinc/98/45/60/350984560.db2.gz LSBVWZUBBYBMSH-ULQDDVLXSA-N 0 3 270.376 2.531 20 30 CFEDHN C[C@H](NCc1ccc(CC#N)cc1)[C@@H]1CC1(F)F ZINC000602701841 350987965 /nfs/dbraw/zinc/98/79/65/350987965.db2.gz XPEVJLJLRZPARI-GWCFXTLKSA-N 0 3 250.292 2.886 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCC3(CCCC3)O2)n1 ZINC000602707230 350990651 /nfs/dbraw/zinc/99/06/51/350990651.db2.gz FDBBWVDHMQBRHX-HNNXBMFYSA-N 0 3 271.364 2.535 20 30 CFEDHN C[C@H](NCc1cccc(C#N)n1)C1CCC(F)CC1 ZINC000602712178 350993827 /nfs/dbraw/zinc/99/38/27/350993827.db2.gz BAOWOLMNPIGXOA-HIFPTAJRSA-N 0 3 261.344 2.960 20 30 CFEDHN Cc1ncccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602725254 351001207 /nfs/dbraw/zinc/00/12/07/351001207.db2.gz KSPKJVGIWIYIGJ-CYBMUJFWSA-N 0 3 273.380 2.579 20 30 CFEDHN N#Cc1cccc(CNC2(Cc3ccccc3)CC2)n1 ZINC000602615816 350947134 /nfs/dbraw/zinc/94/71/34/350947134.db2.gz KODRCNBJBFLSRB-UHFFFAOYSA-N 0 3 263.344 2.818 20 30 CFEDHN C[C@@H](CCC#N)CN1CCSC2(CCOCC2)C1 ZINC000602618527 350948116 /nfs/dbraw/zinc/94/81/16/350948116.db2.gz IVJDJHJLKJGFPX-ZDUSSCGKSA-N 0 3 268.426 2.524 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cccc(C#N)n1 ZINC000602621657 350949949 /nfs/dbraw/zinc/94/99/49/350949949.db2.gz PJDDTUBWCITMGC-HZPDHXFCSA-N 0 3 273.380 2.637 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602770382 351019390 /nfs/dbraw/zinc/01/93/90/351019390.db2.gz RMOHUOKYJAEIQK-AWEZNQCLSA-N 0 3 291.439 2.553 20 30 CFEDHN N#Cc1ccc(CN(CCc2cnccn2)C2CC2)cc1 ZINC000602769742 351019430 /nfs/dbraw/zinc/01/94/30/351019430.db2.gz PTYVSCCYZFLFAX-UHFFFAOYSA-N 0 3 278.359 2.555 20 30 CFEDHN CN(CCN(C)c1ccccc1)CC1(CC#N)CC1 ZINC000602778594 351021397 /nfs/dbraw/zinc/02/13/97/351021397.db2.gz ZHVYBBLSHQQXAM-UHFFFAOYSA-N 0 3 257.381 2.748 20 30 CFEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602787379 351024788 /nfs/dbraw/zinc/02/47/88/351024788.db2.gz RCSQXHWPEXWLPL-AWEZNQCLSA-N 0 3 291.439 2.555 20 30 CFEDHN COc1ccc(C2(NCC3(CC#N)CC3)CC2)cc1 ZINC000602808759 351033655 /nfs/dbraw/zinc/03/36/55/351033655.db2.gz YZWCLSDBHMOUAY-UHFFFAOYSA-N 0 3 256.349 2.968 20 30 CFEDHN CCCn1ccnc1CCCN(C)CC1(CC#N)CC1 ZINC000602821547 351037609 /nfs/dbraw/zinc/03/76/09/351037609.db2.gz PMBKBRNCLCVZDM-UHFFFAOYSA-N 0 3 274.412 2.851 20 30 CFEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CC1(CC#N)CC1 ZINC000602827969 351039327 /nfs/dbraw/zinc/03/93/27/351039327.db2.gz PNTXDKSYPPRAKF-GOOCMWNKSA-N 0 3 284.407 2.824 20 30 CFEDHN CC[C@H](CC(F)F)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847379 351043766 /nfs/dbraw/zinc/04/37/66/351043766.db2.gz AYYWUTBTXQDWIC-FRRDWIJNSA-N 0 3 273.371 2.586 20 30 CFEDHN CC(C)CSCCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855118 351047653 /nfs/dbraw/zinc/04/76/53/351047653.db2.gz SDWBVHNOLIDPQO-GJZGRUSLSA-N 0 3 283.485 2.684 20 30 CFEDHN N#CC1(CCCN2CCC[C@H]2c2cn[nH]c2)CCOCC1 ZINC000602878783 351055910 /nfs/dbraw/zinc/05/59/10/351055910.db2.gz ANRSSLKYANVZGT-HNNXBMFYSA-N 0 3 288.395 2.647 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602882213 351057487 /nfs/dbraw/zinc/05/74/87/351057487.db2.gz SUVOCEXMISVCCS-INIZCTEOSA-N 0 3 266.348 2.661 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](n3ccnn3)CC2)cc1F ZINC000602892154 351059063 /nfs/dbraw/zinc/05/90/63/351059063.db2.gz MIFXSBWBIKQPQF-OAHLLOKOSA-N 0 3 299.353 2.516 20 30 CFEDHN CCN(CC1(CC#N)CC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602890943 351059136 /nfs/dbraw/zinc/05/91/36/351059136.db2.gz DKCLNENOQRJDHI-LBPRGKRZSA-N 0 3 289.345 2.639 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnn2)CC1 ZINC000602890974 351059495 /nfs/dbraw/zinc/05/94/95/351059495.db2.gz FIUBLRFNAKFRIR-WMLDXEAASA-N 0 3 295.390 2.938 20 30 CFEDHN CCN(CCC(C)(C)C#N)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602891842 351059672 /nfs/dbraw/zinc/05/96/72/351059672.db2.gz JQGPRYPLWALUEM-LBPRGKRZSA-N 0 3 291.361 2.885 20 30 CFEDHN CC1(C)CO[C@@H](CN2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC000602908049 351063491 /nfs/dbraw/zinc/06/34/91/351063491.db2.gz YGMQGXPRKVQTTJ-MRXNPFEDSA-N 0 3 299.418 2.948 20 30 CFEDHN CC[C@@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748863 351012968 /nfs/dbraw/zinc/01/29/68/351012968.db2.gz TWSJDUOHZIYOOJ-INIZCTEOSA-N 0 3 271.408 2.711 20 30 CFEDHN C[C@H](CN(C)Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000602758574 351014908 /nfs/dbraw/zinc/01/49/08/351014908.db2.gz KOIPXQHQPMIQSA-GFCCVEGCSA-N 0 3 285.395 2.715 20 30 CFEDHN CN(CCCCCn1cccn1)[C@@H]1CCC[C@@H]1C#N ZINC000602978985 351079817 /nfs/dbraw/zinc/07/98/17/351079817.db2.gz ZLLSXTYPOUGEQD-HUUCEWRRSA-N 0 3 260.385 2.677 20 30 CFEDHN CC(C)(C)[C@H](N)c1cn(CCCC(C)(C)C#N)nn1 ZINC000603259149 351126878 /nfs/dbraw/zinc/12/68/78/351126878.db2.gz DXSZUSXTBRSDKX-GFCCVEGCSA-N 0 3 263.389 2.654 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000602991600 351086748 /nfs/dbraw/zinc/08/67/48/351086748.db2.gz JGVWCRYENKDIBD-UWVGGRQHSA-N 0 3 259.309 2.876 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1F ZINC000602997275 351088527 /nfs/dbraw/zinc/08/85/27/351088527.db2.gz GTTHCWOWBRFCJD-OIISXLGYSA-N 0 3 288.366 2.823 20 30 CFEDHN Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000602997878 351089491 /nfs/dbraw/zinc/08/94/91/351089491.db2.gz SLEPMVDXTYBQDR-SQNIBIBYSA-N 0 3 284.403 2.992 20 30 CFEDHN N#Cc1cccc(OCCCN[C@H]2CCCn3nccc32)c1 ZINC000603028762 351091828 /nfs/dbraw/zinc/09/18/28/351091828.db2.gz SQKUKHMMKFFVNO-INIZCTEOSA-N 0 3 296.374 2.648 20 30 CFEDHN COCc1cc(C#N)ccc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000603310798 351136603 /nfs/dbraw/zinc/13/66/03/351136603.db2.gz QTDPLATVJBGEJR-IUODEOHRSA-N 0 3 285.391 2.742 20 30 CFEDHN CC(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000609620203 351511962 /nfs/dbraw/zinc/51/19/62/351511962.db2.gz GYCANVOMZYUKNW-UWJCENJNSA-N 0 3 260.381 2.869 20 30 CFEDHN N#Cc1cccc(CNCc2n[nH]c3ccccc23)c1 ZINC000608982245 351482794 /nfs/dbraw/zinc/48/27/94/351482794.db2.gz GVAHMMFWQKPDDE-UHFFFAOYSA-N 0 3 262.316 2.724 20 30 CFEDHN N#Cc1cccc(CNCc2[nH]nc3ccccc32)c1 ZINC000608982245 351482796 /nfs/dbraw/zinc/48/27/96/351482796.db2.gz GVAHMMFWQKPDDE-UHFFFAOYSA-N 0 3 262.316 2.724 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CCO)C1 ZINC000609826671 351522116 /nfs/dbraw/zinc/52/21/16/351522116.db2.gz PJAWFFOSZQACPN-DZGCQCFKSA-N 0 3 258.365 2.714 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609921368 351528886 /nfs/dbraw/zinc/52/88/86/351528886.db2.gz NUCSRYMVFLXDJR-SNVBAGLBSA-N 0 3 278.302 2.830 20 30 CFEDHN CCOc1ccccc1[C@H](C)NC1CCN(CC#N)CC1 ZINC000610813847 351612208 /nfs/dbraw/zinc/61/22/08/351612208.db2.gz UWKSXOLZQZOAOD-AWEZNQCLSA-N 0 3 287.407 2.724 20 30 CFEDHN N#Cc1cccc(OC2CCN([C@H]3CCCOC3)CC2)c1 ZINC000610570008 351582179 /nfs/dbraw/zinc/58/21/79/351582179.db2.gz OPUAPURJFCJAED-HNNXBMFYSA-N 0 3 286.375 2.580 20 30 CFEDHN CC(C(=O)N(C)c1ccc(C#N)cc1F)C(F)(F)F ZINC000610388175 351561515 /nfs/dbraw/zinc/56/15/15/351561515.db2.gz YPDSLBUGZHCEGH-ZETCQYMHSA-N 0 3 274.217 2.859 20 30 CFEDHN CCN(C(=O)CN(C)C1CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000610392457 351562109 /nfs/dbraw/zinc/56/21/09/351562109.db2.gz QFZNVZJCBSRQQK-CQSZACIVSA-N 0 3 299.418 2.952 20 30 CFEDHN N#CCN1CCC(NCc2cc(Cl)ccc2F)CC1 ZINC000611080852 351639161 /nfs/dbraw/zinc/63/91/61/351639161.db2.gz VSNZCYXSFWKTDS-UHFFFAOYSA-N 0 3 281.762 2.557 20 30 CFEDHN N#Cc1cc(CN2CCC3(CCOC3)CC2)ccc1F ZINC000611177790 351647715 /nfs/dbraw/zinc/64/77/15/351647715.db2.gz LNWDYRXJOHBSRO-UHFFFAOYSA-N 0 3 274.339 2.700 20 30 CFEDHN COc1ccc2oc(CNC3CCN(CC#N)CC3)cc2c1 ZINC000611198694 351651593 /nfs/dbraw/zinc/65/15/93/351651593.db2.gz MZNUWJDSXWYFIY-UHFFFAOYSA-N 0 3 299.374 2.519 20 30 CFEDHN N#CCN(Cc1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000611265129 351659716 /nfs/dbraw/zinc/65/97/16/351659716.db2.gz YNYHZAWWGJDPMT-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN N#Cc1ccc(CNCCN2Cc3ccccc3C2)c(F)c1 ZINC000610946759 351623106 /nfs/dbraw/zinc/62/31/06/351623106.db2.gz MMPNGMKLAFJRPP-UHFFFAOYSA-N 0 3 295.361 2.803 20 30 CFEDHN Cc1nc(NCCN2CCCC[C@H]2C)ccc1C#N ZINC000291607439 198049363 /nfs/dbraw/zinc/04/93/63/198049363.db2.gz JDDHIALGEHGBKF-GFCCVEGCSA-N 0 3 258.369 2.548 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOCC1CC1 ZINC000611392740 351680257 /nfs/dbraw/zinc/68/02/57/351680257.db2.gz IJSONWPFNOIHIM-QGZVFWFLSA-N 0 3 270.376 2.952 20 30 CFEDHN CC(C)(C)OC(=O)CCCCNCc1ccc(C#N)o1 ZINC000611346688 351672572 /nfs/dbraw/zinc/67/25/72/351672572.db2.gz DBBOCKXOZKZUDF-UHFFFAOYSA-N 0 3 278.352 2.753 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)ccn1 ZINC000611350805 351673851 /nfs/dbraw/zinc/67/38/51/351673851.db2.gz SLHZHBMYHYCTKB-GOEBONIOSA-N 0 3 285.391 2.592 20 30 CFEDHN C[C@H](N[C@@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000611588931 351712170 /nfs/dbraw/zinc/71/21/70/351712170.db2.gz BYQXTTJSTIUWOF-GXFFZTMASA-N 0 3 262.328 2.509 20 30 CFEDHN N#CCc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000612104502 351775268 /nfs/dbraw/zinc/77/52/68/351775268.db2.gz WBUKFKDFTGHVIV-IBGZPJMESA-N 0 3 292.382 2.676 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)CCc1ccccn1 ZINC000122109130 187015293 /nfs/dbraw/zinc/01/52/93/187015293.db2.gz GFEMATRNHZYBGA-UHFFFAOYSA-N 0 3 295.386 2.897 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000122269964 187023492 /nfs/dbraw/zinc/02/34/92/187023492.db2.gz CBBJFOXBIHRABI-PWSUYJOCSA-N 0 3 286.335 2.504 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)o2)sc1C ZINC000122711266 187047281 /nfs/dbraw/zinc/04/72/81/187047281.db2.gz BEWDJRWPPRYMMJ-UHFFFAOYSA-N 0 3 261.350 2.557 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000122770435 187050688 /nfs/dbraw/zinc/05/06/88/187050688.db2.gz XAOVYIJUKUXAQH-UHFFFAOYSA-N 0 3 299.418 2.813 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=CCCC1 ZINC000122871902 187056722 /nfs/dbraw/zinc/05/67/22/187056722.db2.gz VPAMZZTXAVHXIA-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1 ZINC000123327113 187085513 /nfs/dbraw/zinc/08/55/13/187085513.db2.gz YYIDXVDBGHSKFA-KDOFPFPSSA-N 0 3 280.371 2.640 20 30 CFEDHN Cc1nc(NC[C@H]2CCCCN2C2CC2)ccc1C#N ZINC000291916161 198104459 /nfs/dbraw/zinc/10/44/59/198104459.db2.gz LEXSRFNDZQRBMD-OAHLLOKOSA-N 0 3 270.380 2.691 20 30 CFEDHN CCn1nc(C)c(CN[C@H]2CCC[C@@H](C#N)C2)c1C ZINC000613254756 351925547 /nfs/dbraw/zinc/92/55/47/351925547.db2.gz XNIWMOJUOPJETL-KGLIPLIRSA-N 0 3 260.385 2.692 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cc(C#N)ccc1F ZINC000613390138 351949225 /nfs/dbraw/zinc/94/92/25/351949225.db2.gz YSFBCZUYUCCBPK-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN CN(CCNc1nc(C(C)(C)C)ccc1C#N)C1CC1 ZINC000613416975 351954804 /nfs/dbraw/zinc/95/48/04/351954804.db2.gz JDXWAYZYZSAXFZ-UHFFFAOYSA-N 0 3 272.396 2.757 20 30 CFEDHN CN(c1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000613423643 351956362 /nfs/dbraw/zinc/95/63/62/351956362.db2.gz MPRLBXVSFFYXFY-OAHLLOKOSA-N 0 3 298.434 2.924 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(F)c(OC)c1 ZINC000310662372 539829047 /nfs/dbraw/zinc/82/90/47/539829047.db2.gz JZRDNUVUDGJDFC-NSHDSACASA-N 0 3 253.317 2.688 20 30 CFEDHN C=C(C)CCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000614182734 352057686 /nfs/dbraw/zinc/05/76/86/352057686.db2.gz WVOPVUCWCPGQEL-KRWDZBQOSA-N 0 3 287.382 2.974 20 30 CFEDHN C=CCN(CCC(=O)Nc1cccc(F)c1)C1CC1 ZINC000271460302 191150504 /nfs/dbraw/zinc/15/05/04/191150504.db2.gz PQIZBDODHYWQEB-UHFFFAOYSA-N 0 3 262.328 2.805 20 30 CFEDHN CCN1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000614963194 352136938 /nfs/dbraw/zinc/13/69/38/352136938.db2.gz PWLPMLVKYNAJJZ-UONOGXRCSA-N 0 3 257.381 2.645 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614403438 352090037 /nfs/dbraw/zinc/09/00/37/352090037.db2.gz YJPTWRINYDDEKO-CABCVRRESA-N 0 3 271.408 2.781 20 30 CFEDHN N#CCN1CCC(NCc2cc(F)cc(Cl)c2)CC1 ZINC000614408595 352090770 /nfs/dbraw/zinc/09/07/70/352090770.db2.gz OQYLGYRQVJTUDS-UHFFFAOYSA-N 0 3 281.762 2.557 20 30 CFEDHN C[C@H]1CN(c2cc(C#N)nc3ccccc32)[C@@H](C)CN1C ZINC000615496132 352199303 /nfs/dbraw/zinc/19/93/03/352199303.db2.gz FIHPALUUAWHBER-STQMWFEESA-N 0 3 280.375 2.635 20 30 CFEDHN CC(=O)[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000615517254 352201248 /nfs/dbraw/zinc/20/12/48/352201248.db2.gz DCFSPFAIHGHVHP-DLBZAZTESA-N 0 3 298.386 2.729 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCc3ccsc3C2)cc1 ZINC000132720135 187644334 /nfs/dbraw/zinc/64/43/34/187644334.db2.gz QTNGAGFYDKTVHX-HNNXBMFYSA-N 0 3 284.384 2.711 20 30 CFEDHN N#Cc1ccc(CN2CCC3(CCOC3)CC2)cc1F ZINC000616768766 352428077 /nfs/dbraw/zinc/42/80/77/352428077.db2.gz LIKOTKWJHWLUEI-UHFFFAOYSA-N 0 3 274.339 2.700 20 30 CFEDHN COCCN(Cc1ccnc(C#N)c1)[C@H]1CC[C@@H](C)C1 ZINC000616873154 352436278 /nfs/dbraw/zinc/43/62/78/352436278.db2.gz VWWASMAVZIHZOH-CJNGLKHVSA-N 0 3 273.380 2.590 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617010358 352464098 /nfs/dbraw/zinc/46/40/98/352464098.db2.gz NTUDXQILQNPRMJ-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC000617036439 352472841 /nfs/dbraw/zinc/47/28/41/352472841.db2.gz AVEWWBCOHPLYKS-UONOGXRCSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)N(C)C ZINC000617039094 352474452 /nfs/dbraw/zinc/47/44/52/352474452.db2.gz CDEWSYCJVRNHDM-HZSPNIEDSA-N 0 3 252.402 2.578 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN(CCc3ccccc3)C2)nc1 ZINC000292107489 198164881 /nfs/dbraw/zinc/16/48/81/198164881.db2.gz GWPMWTCAUCZSCS-QGZVFWFLSA-N 0 3 293.370 2.649 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)CCCNC(=O)C1CCC1 ZINC000617575605 352593977 /nfs/dbraw/zinc/59/39/77/352593977.db2.gz DULJJXWZGPSRTN-UHFFFAOYSA-N 0 3 299.418 2.605 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CO)CC(F)F ZINC000617585456 352599178 /nfs/dbraw/zinc/59/91/78/352599178.db2.gz HRAIMGNSKMMFKX-TZMCWYRMSA-N 0 3 280.318 2.541 20 30 CFEDHN C=C[C@@H](CC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000617553184 352581870 /nfs/dbraw/zinc/58/18/70/352581870.db2.gz CALWRIAIINTGGZ-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1 ZINC000617784023 352645413 /nfs/dbraw/zinc/64/54/13/352645413.db2.gz LSXUFKBQXQERRE-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000292121694 198172349 /nfs/dbraw/zinc/17/23/49/198172349.db2.gz BXXCYGMWRNNEHL-MRXNPFEDSA-N 0 3 286.419 2.979 20 30 CFEDHN COc1ccc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000271617826 191242327 /nfs/dbraw/zinc/24/23/27/191242327.db2.gz COGKBPQUZSZEDE-UGSOOPFHSA-N 0 3 296.370 2.951 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000618572059 352814646 /nfs/dbraw/zinc/81/46/46/352814646.db2.gz OHXAKCNZKLVJSG-YCPHGPKFSA-N 0 3 289.423 2.592 20 30 CFEDHN C[S@](=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000618571855 352814652 /nfs/dbraw/zinc/81/46/52/352814652.db2.gz DZPLIKVSQFUHDX-NJSLBKSFSA-N 0 3 276.405 2.596 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000618571871 352814895 /nfs/dbraw/zinc/81/48/95/352814895.db2.gz IXWYDOHLWQBVOP-BXUZGUMPSA-N 0 3 299.353 2.783 20 30 CFEDHN Cc1ccc(O)c(CN[C@H]2CCc3cc(C#N)ccc32)n1 ZINC000618741423 352876026 /nfs/dbraw/zinc/87/60/26/352876026.db2.gz GEJLICKLDRWVAN-HNNXBMFYSA-N 0 3 279.343 2.744 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1 ZINC000619186797 352974933 /nfs/dbraw/zinc/97/49/33/352974933.db2.gz KIYWVIJLGZZUFO-OAHLLOKOSA-N 0 3 272.392 2.690 20 30 CFEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC1 ZINC000619305701 352990494 /nfs/dbraw/zinc/99/04/94/352990494.db2.gz SOYUFZZKQCJVFI-BLLLJJGKSA-N 0 3 281.359 2.545 20 30 CFEDHN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619465955 353027510 /nfs/dbraw/zinc/02/75/10/353027510.db2.gz NZQDYALTVJTFKS-IAGOWNOFSA-N 0 3 292.386 2.946 20 30 CFEDHN CCSCC[C@@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000619569594 353036845 /nfs/dbraw/zinc/03/68/45/353036845.db2.gz WESOTXARDRRKES-GFCCVEGCSA-N 0 3 263.410 2.917 20 30 CFEDHN CCOC1CC(NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619755236 353064030 /nfs/dbraw/zinc/06/40/30/353064030.db2.gz DJFRYTYQPHMYQW-UHFFFAOYSA-N 0 3 264.756 2.869 20 30 CFEDHN C[C@@H](CN1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C ZINC000619844079 353068634 /nfs/dbraw/zinc/06/86/34/353068634.db2.gz OQQRLDQQIFAXJZ-AWEZNQCLSA-N 0 3 286.423 2.757 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cn2cccn2)c2ccccc2)C1 ZINC000619672795 353047620 /nfs/dbraw/zinc/04/76/20/353047620.db2.gz AMPHTUNHLVLJSC-PVAVHDDUSA-N 0 3 280.375 2.906 20 30 CFEDHN C#CCSCCNCc1ccc(OC(C)C)c(OC)c1 ZINC000152939115 188053975 /nfs/dbraw/zinc/05/39/75/188053975.db2.gz JEMGRXKZKZHJFK-UHFFFAOYSA-N 0 3 293.432 2.938 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000620309977 353149803 /nfs/dbraw/zinc/14/98/03/353149803.db2.gz UWVVMPAWXBJTNU-ZQDZILKHSA-N 0 3 262.397 2.569 20 30 CFEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc(C#N)cc2)C1 ZINC000153362905 188078400 /nfs/dbraw/zinc/07/84/00/188078400.db2.gz PVRIWEZEGPYZGC-GDBMZVCRSA-N 0 3 298.390 2.506 20 30 CFEDHN CC(C)[C@@H]1N(C[C@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000292341867 198250559 /nfs/dbraw/zinc/25/05/59/198250559.db2.gz DJXOZOUYBQDAEL-HOTGVXAUSA-N 0 3 272.392 2.958 20 30 CFEDHN C=C(C)COc1cc(CN(CCO)C2CC2)ccc1OC ZINC000153632837 188094046 /nfs/dbraw/zinc/09/40/46/188094046.db2.gz PQQHEOYQHAWIPN-UHFFFAOYSA-N 0 3 291.391 2.607 20 30 CFEDHN CCN(CC(C)C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000153709106 188099096 /nfs/dbraw/zinc/09/90/96/188099096.db2.gz WQPUUUFWWBINFZ-CYBMUJFWSA-N 0 3 291.420 2.703 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2O[C@H](C)C1 ZINC000292441082 198289265 /nfs/dbraw/zinc/28/92/65/198289265.db2.gz OLGHIQXEVWZIKL-UKRRQHHQSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCC1(C(=O)N2CCN[C@H](C(C)C)C2)CCCC1 ZINC000621160514 353290371 /nfs/dbraw/zinc/29/03/71/353290371.db2.gz GEQHMUPUEDPAKF-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C#CC[C@H](NCCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000271688636 191277530 /nfs/dbraw/zinc/27/75/30/191277530.db2.gz JWCOPWAPQYCFIZ-INIZCTEOSA-N 0 3 293.432 2.554 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000621738507 353415517 /nfs/dbraw/zinc/41/55/17/353415517.db2.gz IGDCLAFHRQQNFO-GDBMZVCRSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000623422390 353639615 /nfs/dbraw/zinc/63/96/15/353639615.db2.gz VDPXZLYZPDOFME-BZUAXINKSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC000623579370 353677150 /nfs/dbraw/zinc/67/71/50/353677150.db2.gz YWRNMDPDXBDNLQ-OAHLLOKOSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753270 353718888 /nfs/dbraw/zinc/71/88/88/353718888.db2.gz VGNOCFHSMPBGNY-DOTOQJQBSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623927998 353762100 /nfs/dbraw/zinc/76/21/00/353762100.db2.gz AUYRIQWQPHYSPA-HUUCEWRRSA-N 0 3 299.418 2.922 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000623949668 353767620 /nfs/dbraw/zinc/76/76/20/353767620.db2.gz YYWJMPGUMNIFTK-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000623948991 353767672 /nfs/dbraw/zinc/76/76/72/353767672.db2.gz CSNQOYHLTZMUJG-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000623949667 353768021 /nfs/dbraw/zinc/76/80/21/353768021.db2.gz YYWJMPGUMNIFTK-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623990722 353777335 /nfs/dbraw/zinc/77/73/35/353777335.db2.gz KWBNDXUMIMNECG-HIFRSBDPSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCC[C@H](C)NCc1c(C(F)(F)F)cnn1C ZINC000624053820 353794228 /nfs/dbraw/zinc/79/42/28/353794228.db2.gz PMNQNOHRJGGETO-VIFPVBQESA-N 0 3 261.291 2.883 20 30 CFEDHN C=C(C)CCN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000625389563 354039432 /nfs/dbraw/zinc/03/94/32/354039432.db2.gz GUSLQMDLSIJXEX-QGZVFWFLSA-N 0 3 275.392 2.606 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000625699921 354087771 /nfs/dbraw/zinc/08/77/71/354087771.db2.gz DZYLJVCHHMCIAZ-KGLIPLIRSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(CC(C)C)C2CC2)C1 ZINC000625699656 354088211 /nfs/dbraw/zinc/08/82/11/354088211.db2.gz BZELEGLZWXGESE-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000625705059 354091188 /nfs/dbraw/zinc/09/11/88/354091188.db2.gz RBMWXDROUGLJCG-CYBMUJFWSA-N 0 3 255.365 2.971 20 30 CFEDHN CC1(C)CCC[C@@](CO)(NCC#Cc2ccccc2)C1 ZINC000625836448 354123456 /nfs/dbraw/zinc/12/34/56/354123456.db2.gz HCLNMXAJVZEYFZ-GOSISDBHSA-N 0 3 271.404 2.959 20 30 CFEDHN CC1(C)CCC[C@](CO)(NCC#Cc2ccccc2)C1 ZINC000625836449 354123470 /nfs/dbraw/zinc/12/34/70/354123470.db2.gz HCLNMXAJVZEYFZ-SFHVURJKSA-N 0 3 271.404 2.959 20 30 CFEDHN C=CCC1(NCc2ccc(OC)nn2)CCCCC1 ZINC000625934606 354148997 /nfs/dbraw/zinc/14/89/97/354148997.db2.gz TZVQXBBYYSDSRN-UHFFFAOYSA-N 0 3 261.369 2.854 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC2(CC2)CC1 ZINC000626113529 354197156 /nfs/dbraw/zinc/19/71/56/354197156.db2.gz WIVNXQUMUXVTPN-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626125842 354203051 /nfs/dbraw/zinc/20/30/51/354203051.db2.gz ZMWCUCDYYXRFGF-LSDHHAIUSA-N 0 3 293.382 2.951 20 30 CFEDHN N#Cc1ccccc1OCCN[C@H](CCO)c1ccccc1 ZINC000271738105 191298268 /nfs/dbraw/zinc/29/82/68/191298268.db2.gz HZZCOWHKMLGHEZ-QGZVFWFLSA-N 0 3 296.370 2.650 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCCCN1CC ZINC000628316771 354541615 /nfs/dbraw/zinc/54/16/15/354541615.db2.gz JGCJUCWTRUVTPP-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1OC ZINC000628407178 354579949 /nfs/dbraw/zinc/57/99/49/354579949.db2.gz AQQAFKFQTAFIMM-OKILXGFUSA-N 0 3 259.349 2.712 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000628406348 354580407 /nfs/dbraw/zinc/58/04/07/354580407.db2.gz HYJBRQHSHULGQR-HNNXBMFYSA-N 0 3 282.391 2.724 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000628488037 354605487 /nfs/dbraw/zinc/60/54/87/354605487.db2.gz QIAWGVFQUNBGOV-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC(C)(C)CCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000629250706 354776298 /nfs/dbraw/zinc/77/62/98/354776298.db2.gz CYHOWPDPNQSORZ-AWEZNQCLSA-N 0 3 294.826 2.928 20 30 CFEDHN C=CC(C)(C)CCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000629250927 354776417 /nfs/dbraw/zinc/77/64/17/354776417.db2.gz RFHOVMYHARLYEM-ZDUSSCGKSA-N 0 3 264.344 2.544 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000171605896 188746839 /nfs/dbraw/zinc/74/68/39/188746839.db2.gz YMCZYPXUEFGOGM-UHFFFAOYSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC(NC(=O)C(F)(F)c2ccccc2)CC1 ZINC000171718166 188755996 /nfs/dbraw/zinc/75/59/96/188755996.db2.gz QUBAJTTUJXUCAP-UHFFFAOYSA-N 0 3 294.345 2.545 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000630034726 354988589 /nfs/dbraw/zinc/98/85/89/354988589.db2.gz ZSFBPYALXFXLOH-ROUUACIJSA-N 0 3 289.419 2.587 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000630576969 355116246 /nfs/dbraw/zinc/11/62/46/355116246.db2.gz ROSBNJFDMBABPF-MRXNPFEDSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(F)cc1N(C)C ZINC000679576824 540089377 /nfs/dbraw/zinc/08/93/77/540089377.db2.gz VVTJOBSAYYXNNG-GFCCVEGCSA-N 0 3 266.360 2.745 20 30 CFEDHN C=C1CC(C)(C(=O)Nc2ccc(OCCN(C)C)cc2)C1 ZINC000630772474 355173002 /nfs/dbraw/zinc/17/30/02/355173002.db2.gz IACADJAVGLMDFC-UHFFFAOYSA-N 0 3 288.391 2.922 20 30 CFEDHN C=C1CC(C)(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000630865154 355203725 /nfs/dbraw/zinc/20/37/25/355203725.db2.gz BWKVTOCBVBPVGJ-UHFFFAOYSA-N 0 3 288.391 2.922 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(F)c1F ZINC000271801606 191334797 /nfs/dbraw/zinc/33/47/97/191334797.db2.gz PMXHHJASVYPICG-GHMZBOCLSA-N 0 3 255.308 2.943 20 30 CFEDHN COC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000271807354 191339834 /nfs/dbraw/zinc/33/98/34/191339834.db2.gz NRLFLEKPNMHOFK-MSOLQXFVSA-N 0 3 296.370 2.569 20 30 CFEDHN COc1ccc([C@@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000271850716 191366888 /nfs/dbraw/zinc/36/68/88/191366888.db2.gz RJWBEFJNWHEVAC-ACJLOTCBSA-N 0 3 296.370 2.951 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(F)F)nc1 ZINC000631151723 355316889 /nfs/dbraw/zinc/31/68/89/355316889.db2.gz JVIOVLZEAIGYPR-YPMHNXCESA-N 0 3 268.307 2.842 20 30 CFEDHN N#Cc1cc(F)c(N2CCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000301294692 283096942 /nfs/dbraw/zinc/09/69/42/283096942.db2.gz XVSBLXJNAPBQPD-CYBMUJFWSA-N 0 3 291.345 2.901 20 30 CFEDHN N#Cc1cc(F)ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000111036748 283099336 /nfs/dbraw/zinc/09/93/36/283099336.db2.gz UIWCEINDBFPNQE-OAHLLOKOSA-N 0 3 273.355 2.762 20 30 CFEDHN CCn1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000633895148 356028983 /nfs/dbraw/zinc/02/89/83/356028983.db2.gz XSAQILVIZUHOGV-LLVKDONJSA-N 0 3 293.330 2.578 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000453352566 540228443 /nfs/dbraw/zinc/22/84/43/540228443.db2.gz JPCRZBRWDIJGGD-KFWWJZLASA-N 0 3 289.375 2.624 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000270099697 283214898 /nfs/dbraw/zinc/21/48/98/283214898.db2.gz LSVHJQZKKRQBKZ-BRWVUGGUSA-N 0 3 282.387 2.996 20 30 CFEDHN N#Cc1cnc(N2CCCN(C3CCCC3)CC2)c(F)c1 ZINC000413151602 283231294 /nfs/dbraw/zinc/23/12/94/283231294.db2.gz GRXSCLIDECSYFO-UHFFFAOYSA-N 0 3 288.370 2.547 20 30 CFEDHN C=CCCN(C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000294735800 199159572 /nfs/dbraw/zinc/15/95/72/199159572.db2.gz WNHWOGFFOAIPBL-CJNGLKHVSA-N 0 3 290.382 2.996 20 30 CFEDHN Cc1ncsc1CCNCc1ccc(C#N)s1 ZINC000294921441 199249285 /nfs/dbraw/zinc/24/92/85/199249285.db2.gz FPLJUTLJKARUOB-UHFFFAOYSA-N 0 3 263.391 2.717 20 30 CFEDHN C=CCc1cc(CN(C)CC(C)(C)CO)cc(OC)c1O ZINC000294928071 199254674 /nfs/dbraw/zinc/25/46/74/199254674.db2.gz ZHBXGKIZYBIANV-UHFFFAOYSA-N 0 3 293.407 2.580 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000343472338 540430048 /nfs/dbraw/zinc/43/00/48/540430048.db2.gz FWSASABOAQHDLZ-CABCVRRESA-N 0 3 285.391 2.708 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000296883972 200025074 /nfs/dbraw/zinc/02/50/74/200025074.db2.gz PZLSPPSHDXWUOF-DVOMOZLQSA-N 0 3 261.365 2.907 20 30 CFEDHN CCC[C@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000297276614 200132396 /nfs/dbraw/zinc/13/23/96/200132396.db2.gz XDMVTLNSVYDGQF-HNNXBMFYSA-N 0 3 288.391 2.562 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)s1)C(C)(C)C ZINC000176980559 189018874 /nfs/dbraw/zinc/01/88/74/189018874.db2.gz FVCCOYVCEKQKEW-GFCCVEGCSA-N 0 3 252.383 2.770 20 30 CFEDHN CN(CCNCc1ccc(C#N)o1)Cc1ccc(F)cc1 ZINC000176988447 189019386 /nfs/dbraw/zinc/01/93/86/189019386.db2.gz MHZQECLWKUVHFP-UHFFFAOYSA-N 0 3 287.338 2.512 20 30 CFEDHN C=CCC[C@@H](O)CNC(C)(C)c1cccc(F)c1 ZINC000179577134 189203589 /nfs/dbraw/zinc/20/35/89/189203589.db2.gz BINZEQBFRFJJJU-CQSZACIVSA-N 0 3 251.345 2.978 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000179631543 189208666 /nfs/dbraw/zinc/20/86/66/189208666.db2.gz GFJOQXQYFOFIIL-ZIAGYGMSSA-N 0 3 293.407 2.990 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000180030264 189233062 /nfs/dbraw/zinc/23/30/62/189233062.db2.gz MJDDXEWKSRJHIN-SGIREYDYSA-N 0 3 292.810 2.929 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180438453 189255358 /nfs/dbraw/zinc/25/53/58/189255358.db2.gz YCLDLRGAEAZGIL-BXUZGUMPSA-N 0 3 264.325 2.573 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000180458836 189256420 /nfs/dbraw/zinc/25/64/20/189256420.db2.gz JEOSADIGLYFNOT-XIKOKIGWSA-N 0 3 283.462 2.994 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180492784 189258015 /nfs/dbraw/zinc/25/80/15/189258015.db2.gz WZAQHMWAMGKMBE-AEFFLSMTSA-N 0 3 284.403 2.742 20 30 CFEDHN C=CCOc1cccc(CN(C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000180530778 189260800 /nfs/dbraw/zinc/26/08/00/189260800.db2.gz RJZBYAXLPYGYMM-RDJZCZTQSA-N 0 3 275.392 2.844 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCCC3)O2)s1 ZINC000180930025 189284128 /nfs/dbraw/zinc/28/41/28/189284128.db2.gz VKTNKQXVGRWZBL-GFCCVEGCSA-N 0 3 292.404 2.785 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(N(C)CCN(C)C)c2c1 ZINC000301461894 201018437 /nfs/dbraw/zinc/01/84/37/201018437.db2.gz DXSVHTUMNVLMMR-UHFFFAOYSA-N 0 3 282.391 2.721 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000181766781 189306024 /nfs/dbraw/zinc/30/60/24/189306024.db2.gz GGTNKTSFNOJUGM-ZDUSSCGKSA-N 0 3 261.365 2.865 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C)n2)CC1 ZINC000181845670 189307840 /nfs/dbraw/zinc/30/78/40/189307840.db2.gz ONEUTZOJYQHDBL-UHFFFAOYSA-N 0 3 288.395 2.552 20 30 CFEDHN C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1cccc(C#N)c1 ZINC000182071500 189313024 /nfs/dbraw/zinc/31/30/24/189313024.db2.gz XCFHPODNSLBMGF-WMLDXEAASA-N 0 3 292.386 2.883 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CCC2)CC1 ZINC000671729527 541061496 /nfs/dbraw/zinc/06/14/96/541061496.db2.gz PCPUCAPHURECOI-OAHLLOKOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000671742870 541063546 /nfs/dbraw/zinc/06/35/46/541063546.db2.gz BOJMESIKAUCAQS-HRCADAONSA-N 0 3 297.345 2.791 20 30 CFEDHN C=CCC[C@@H](NCCOC[C@@H]1CCOC1)c1ccco1 ZINC000671746749 541064620 /nfs/dbraw/zinc/06/46/20/541064620.db2.gz DCOCWUFAAIXQKI-HUUCEWRRSA-N 0 3 279.380 2.930 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NCCN1CCC[C@@H](C)C1 ZINC000302064788 201326701 /nfs/dbraw/zinc/32/67/01/201326701.db2.gz VMMMTLRLBVIEBO-CYBMUJFWSA-N 0 3 285.391 2.905 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCCN(C)C(C)C)c1 ZINC000302091521 201340367 /nfs/dbraw/zinc/34/03/67/201340367.db2.gz HDKBIXXLABPYKY-UHFFFAOYSA-N 0 3 259.353 2.513 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@@H](C)CCN(C)C ZINC000302126452 201350827 /nfs/dbraw/zinc/35/08/27/201350827.db2.gz WNGUYVIGWLTYCB-NSHDSACASA-N 0 3 259.353 2.513 20 30 CFEDHN N#CC(C(=O)c1coc(Br)c1)c1ccccn1 ZINC000073970129 541222060 /nfs/dbraw/zinc/22/20/60/541222060.db2.gz ISNICMRIYVWNOQ-VIFPVBQESA-N 0 3 291.104 2.927 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)CC(C)(C)COC ZINC000426403409 239216368 /nfs/dbraw/zinc/21/63/68/239216368.db2.gz WKBJGSKEQJWAQR-UHFFFAOYSA-N 0 3 290.407 2.679 20 30 CFEDHN C=CC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000667623884 541271831 /nfs/dbraw/zinc/27/18/31/541271831.db2.gz HBIIIIXKDISRJE-UHFFFAOYSA-N 0 3 268.364 2.665 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(C#N)cc1F ZINC000427866763 239344817 /nfs/dbraw/zinc/34/48/17/239344817.db2.gz QQGRYDGBNFWBNI-YWSWHFDRSA-N 0 3 274.339 2.915 20 30 CFEDHN CCOCc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190750965 189573910 /nfs/dbraw/zinc/57/39/10/189573910.db2.gz SFGMBELBVQMCHE-UHFFFAOYSA-N 0 3 283.375 2.723 20 30 CFEDHN C[C@@H](O)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000433080085 240096545 /nfs/dbraw/zinc/09/65/45/240096545.db2.gz ABRBYNWBZWRJIG-GHMZBOCLSA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C2CCC2)CC1 ZINC000275592843 193081863 /nfs/dbraw/zinc/08/18/63/193081863.db2.gz KBEGGHHPYUQIDC-CQSZACIVSA-N 0 3 269.392 2.789 20 30 CFEDHN COc1cc(CN2CC(C)=C[C@H](C)C2)ccc1C#N ZINC000443064635 241037228 /nfs/dbraw/zinc/03/72/28/241037228.db2.gz CPESTRGMMZGGFX-LBPRGKRZSA-N 0 3 256.349 2.965 20 30 CFEDHN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000443637083 241078749 /nfs/dbraw/zinc/07/87/49/241078749.db2.gz FHZXNHBQTAKFSQ-UONOGXRCSA-N 0 3 285.391 2.865 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cc(C#N)cs1 ZINC000443785216 241087164 /nfs/dbraw/zinc/08/71/64/241087164.db2.gz UKJNLPWZYNXGFM-GYSYKLTISA-N 0 3 264.394 2.601 20 30 CFEDHN CC1(C)CCCN(CCNc2ccc(Cl)c(C#N)n2)C1 ZINC000443969551 241100758 /nfs/dbraw/zinc/10/07/58/241100758.db2.gz YZBMFNZXSPKSJP-UHFFFAOYSA-N 0 3 292.814 2.562 20 30 CFEDHN Cc1cc(CNCCc2cscn2)ccc1C#N ZINC000443997357 241105812 /nfs/dbraw/zinc/10/58/12/241105812.db2.gz QEDFXAMVBQAXCA-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN CC1(C)CCCN(CCNCc2cccc(C#N)c2)C1 ZINC000444006431 241108430 /nfs/dbraw/zinc/10/84/30/241108430.db2.gz BIZWSPKYBBNUNE-UHFFFAOYSA-N 0 3 271.408 2.770 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1 ZINC000443315435 241053090 /nfs/dbraw/zinc/05/30/90/241053090.db2.gz UEPIPXRPNXTFOL-WWGRRREGSA-N 0 3 258.365 2.540 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1cccc(C#N)c1F ZINC000444775521 241192722 /nfs/dbraw/zinc/19/27/22/241192722.db2.gz ITZMIRUMUCEEHN-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN CC1(C)CCCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000446065998 241266744 /nfs/dbraw/zinc/26/67/44/241266744.db2.gz GINKZZUKONHANI-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN Cc1cc(CN2CCN(C)C[C@H]2C(C)C)ccc1C#N ZINC000446768238 241325779 /nfs/dbraw/zinc/32/57/79/241325779.db2.gz XZZAIJLIHPHAMA-KRWDZBQOSA-N 0 3 271.408 2.639 20 30 CFEDHN CC#CCN1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673757039 541512511 /nfs/dbraw/zinc/51/25/11/541512511.db2.gz IDLCDSLNLPUMDH-MRXNPFEDSA-N 0 3 256.393 2.606 20 30 CFEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000449515066 241999296 /nfs/dbraw/zinc/99/92/96/241999296.db2.gz YCIFWSHXHLFKFB-KGLIPLIRSA-N 0 3 292.404 2.831 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000449553947 242023315 /nfs/dbraw/zinc/02/33/15/242023315.db2.gz NDLCJJURHFLPNF-IXDOHACOSA-N 0 3 270.376 2.541 20 30 CFEDHN CCCC[C@H](COC)NCc1ccc(C#N)c(F)c1 ZINC000449735566 242124457 /nfs/dbraw/zinc/12/44/57/242124457.db2.gz IKGLVLIBHNHMMU-CQSZACIVSA-N 0 3 264.344 2.992 20 30 CFEDHN N#Cc1ccnc(N2CCN(CC34CCC(CC3)C4)CC2)c1 ZINC000450261188 242330624 /nfs/dbraw/zinc/33/06/24/242330624.db2.gz HJDAXEVLAUHACJ-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(F)cc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000451481441 242855111 /nfs/dbraw/zinc/85/51/11/242855111.db2.gz UCYSIKUUOMZKRD-XHSDSOJGSA-N 0 3 288.366 2.991 20 30 CFEDHN COC[C@@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000452105795 243047342 /nfs/dbraw/zinc/04/73/42/243047342.db2.gz PWYJLADMTVRKME-CYBMUJFWSA-N 0 3 276.355 2.946 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](CCCO)C2)c(Cl)c1 ZINC000452116571 243053637 /nfs/dbraw/zinc/05/36/37/243053637.db2.gz GTOHANPAOPDWPL-GFCCVEGCSA-N 0 3 278.783 2.806 20 30 CFEDHN C[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280876141 296119930 /nfs/dbraw/zinc/11/99/30/296119930.db2.gz AMPNDWAABZJROA-CWTRNNRKSA-N 0 3 276.405 2.510 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000248973847 284066048 /nfs/dbraw/zinc/06/60/48/284066048.db2.gz DBYXNQLZFQDQCP-HEHGZKQESA-N 0 3 286.375 2.750 20 30 CFEDHN CS[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000276033030 193194498 /nfs/dbraw/zinc/19/44/98/193194498.db2.gz MHDYXWAYGSAOTF-APHBMKBZSA-N 0 3 289.448 2.597 20 30 CFEDHN C[C@@H](C(=O)NCCN1CCCC1(C)C)c1cccc(C#N)c1 ZINC000457053046 244371384 /nfs/dbraw/zinc/37/13/84/244371384.db2.gz JRDSTUYEZYDDLD-CQSZACIVSA-N 0 3 299.418 2.652 20 30 CFEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000276114436 193217358 /nfs/dbraw/zinc/21/73/58/193217358.db2.gz IJAVOUUIQMGVQH-UHFFFAOYSA-N 0 3 285.347 2.813 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000276179176 193234313 /nfs/dbraw/zinc/23/43/13/193234313.db2.gz VGKRRLAGCCCEQT-INIZCTEOSA-N 0 3 289.423 2.815 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000276425336 193326668 /nfs/dbraw/zinc/32/66/68/193326668.db2.gz MXYRPKFAIVBEAR-CQSZACIVSA-N 0 3 299.418 2.723 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249003472 261234697 /nfs/dbraw/zinc/23/46/97/261234697.db2.gz ZEKHAFKYXCISLK-IJEWVQPXSA-N 0 3 266.429 2.825 20 30 CFEDHN COCC#CCN1CCC(Cc2ccccc2OC)CC1 ZINC000677133371 541826582 /nfs/dbraw/zinc/82/65/82/541826582.db2.gz SKIDGGYIGATSLH-UHFFFAOYSA-N 0 3 287.403 2.600 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000459462756 245186863 /nfs/dbraw/zinc/18/68/63/245186863.db2.gz MSKHUCBZNLTQOH-BETUJISGSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)CC2CC2)cc1OC ZINC000677246464 541838580 /nfs/dbraw/zinc/83/85/80/541838580.db2.gz YZTBLAQVQPTQDT-OAHLLOKOSA-N 0 3 291.391 2.511 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000459798767 245333652 /nfs/dbraw/zinc/33/36/52/245333652.db2.gz XWYPOLASGFAKKT-OLZOCXBDSA-N 0 3 262.378 2.667 20 30 CFEDHN C[C@@H](O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000265453203 296169051 /nfs/dbraw/zinc/16/90/51/296169051.db2.gz DUHCPGJUCZKCDG-CHWSQXEVSA-N 0 3 258.365 2.712 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(SC)c(OC)c1 ZINC000677478419 541864075 /nfs/dbraw/zinc/86/40/75/541864075.db2.gz XNIQHASQVYXLEE-CYBMUJFWSA-N 0 3 281.421 2.786 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000677479805 541865969 /nfs/dbraw/zinc/86/59/69/541865969.db2.gz RTGSQVMPXSZOIX-CVEARBPZSA-N 0 3 299.418 2.842 20 30 CFEDHN C=C(C)C[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000024992900 372287711 /nfs/dbraw/zinc/28/77/11/372287711.db2.gz YEBIDNADPFRBLM-UHFFFAOYSA-N 0 3 274.364 2.619 20 30 CFEDHN C[C@H](N(C)CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000027132446 372335331 /nfs/dbraw/zinc/33/53/31/372335331.db2.gz GBAJKCVFJXJPJW-LBPRGKRZSA-N 0 3 273.380 2.863 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)Cc1cccnc1 ZINC000036771279 372591629 /nfs/dbraw/zinc/59/16/29/372591629.db2.gz XGXFEZNREMILMM-UHFFFAOYSA-N 0 3 281.359 2.854 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)C1(C#N)CCCCC1 ZINC000044427687 373005414 /nfs/dbraw/zinc/00/54/14/373005414.db2.gz LBAHXVGZYOFUCU-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000047452745 373093347 /nfs/dbraw/zinc/09/33/47/373093347.db2.gz LLSRPMWZFOPVTI-UHFFFAOYSA-N 0 3 279.343 2.872 20 30 CFEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)C1 ZINC000263785504 383688093 /nfs/dbraw/zinc/68/80/93/383688093.db2.gz ZUTHJEPRXNAVNA-CABCVRRESA-N 0 3 285.391 2.664 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)C(C)(C)C#N)c1ccsc1 ZINC000048892158 373229574 /nfs/dbraw/zinc/22/95/74/373229574.db2.gz NAEONDGNNXQYEO-ZDUSSCGKSA-N 0 3 293.436 2.797 20 30 CFEDHN CN(CCC(=O)N(C)CCC#N)Cc1ccc(Cl)s1 ZINC000048972007 373242014 /nfs/dbraw/zinc/24/20/14/373242014.db2.gz GEQREDYZGVDCGM-UHFFFAOYSA-N 0 3 299.827 2.595 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1)c1ccccc1 ZINC000069674983 220201184 /nfs/dbraw/zinc/20/11/84/220201184.db2.gz OKVYFFJGMALPRT-UHFFFAOYSA-N 0 3 265.360 2.784 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)NC ZINC000054074757 373495675 /nfs/dbraw/zinc/49/56/75/373495675.db2.gz OYSMDKCDEAGSKV-VIFPVBQESA-N 0 3 272.801 2.524 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640064207 383694207 /nfs/dbraw/zinc/69/42/07/383694207.db2.gz RMBBDZGUQKLYHQ-MNOVXSKESA-N 0 3 258.321 2.986 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431759604 383695803 /nfs/dbraw/zinc/69/58/03/383695803.db2.gz PLVUFWHOMRUEDX-HOCLYGCPSA-N 0 3 291.439 2.792 20 30 CFEDHN CCCN(CC#CCOC)Cc1ccc(OC)cc1 ZINC000677818759 541909515 /nfs/dbraw/zinc/90/95/15/541909515.db2.gz VMQFFANPPCSMPR-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN C=C(C)CN(CC)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000072817370 374289770 /nfs/dbraw/zinc/28/97/70/374289770.db2.gz JSWVOFKTLQYWCN-UHFFFAOYSA-N 0 3 291.782 2.746 20 30 CFEDHN CCC[C@]1(C)CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000072896139 374299784 /nfs/dbraw/zinc/29/97/84/374299784.db2.gz SYRQDJXTPDBJKL-DOTOQJQBSA-N 0 3 293.455 2.897 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)/C=C/CN(C)C ZINC000491905695 246116545 /nfs/dbraw/zinc/11/65/45/246116545.db2.gz NOVRYWUFIFXJFJ-AATRIKPKSA-N 0 3 299.418 2.661 20 30 CFEDHN Cc1ccc(CN(C)CCC(=O)Nc2ccccc2C#N)o1 ZINC000074021226 374402570 /nfs/dbraw/zinc/40/25/70/374402570.db2.gz LFSZJPPBWRRRTN-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN COCCN(CCCSC)Cc1ccc(C#N)cc1 ZINC000075674704 374496897 /nfs/dbraw/zinc/49/68/97/374496897.db2.gz FFOKJRNUGULWKQ-UHFFFAOYSA-N 0 3 278.421 2.760 20 30 CFEDHN C=CCCCN(C)CC[S@](=O)c1ccccc1 ZINC000076738451 374559716 /nfs/dbraw/zinc/55/97/16/374559716.db2.gz PVDHVVVCTNQVLD-QGZVFWFLSA-N 0 3 251.395 2.692 20 30 CFEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(C2CC2)C1 ZINC000078834878 374571551 /nfs/dbraw/zinc/57/15/51/374571551.db2.gz HWKQPXDSGFJTHF-JTQLQIEISA-N 0 3 296.296 2.621 20 30 CFEDHN C=CCC1(C(=O)N[C@@H](C)CN(C)C)CCCCC1 ZINC000451767251 383701222 /nfs/dbraw/zinc/70/12/22/383701222.db2.gz ZBTPFLOJABFPIP-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN COc1ccc(CN(C)C[C@H]2CCCCO2)cc1C#N ZINC000087833231 374833356 /nfs/dbraw/zinc/83/33/56/374833356.db2.gz UENMNHKLNJOWHR-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCOc1ccc(CN2CCN(CC)[C@H](C)C2)cc1 ZINC000678258858 541986914 /nfs/dbraw/zinc/98/69/14/541986914.db2.gz PVUOXLYLOGSSBQ-OAHLLOKOSA-N 0 3 274.408 2.777 20 30 CFEDHN COCc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000088442264 374846157 /nfs/dbraw/zinc/84/61/57/374846157.db2.gz KSHCCVDUMLPKQB-UHFFFAOYSA-N 0 3 266.344 2.994 20 30 CFEDHN CC[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000091919329 375072139 /nfs/dbraw/zinc/07/21/39/375072139.db2.gz ODBPSLMITJANOY-ZDUSSCGKSA-N 0 3 268.364 2.828 20 30 CFEDHN COc1ccccc1CN(CCO)CC(C)(C)CCC#N ZINC000091790837 375061718 /nfs/dbraw/zinc/06/17/18/375061718.db2.gz NRFGPFNFOUNZTC-UHFFFAOYSA-N 0 3 290.407 2.819 20 30 CFEDHN C=CCOc1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000092647560 375133529 /nfs/dbraw/zinc/13/35/29/375133529.db2.gz BAEHJLFXSMLVFM-UHFFFAOYSA-N 0 3 298.390 2.680 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H](C(=O)OC)C1 ZINC000092643784 375133840 /nfs/dbraw/zinc/13/38/40/375133840.db2.gz JHGXXIOVBWHASL-HNNXBMFYSA-N 0 3 289.375 2.636 20 30 CFEDHN CO[C@]1(C)C[C@H](N(C)Cc2ccc(C#N)o2)C1(C)C ZINC000093871759 375325318 /nfs/dbraw/zinc/32/53/18/375325318.db2.gz XUNIOEFLYOZNQR-DZGCQCFKSA-N 0 3 262.353 2.787 20 30 CFEDHN C#CCN(Cc1cn(C)nc1-c1cccnc1)C1CCCC1 ZINC000093819752 375317740 /nfs/dbraw/zinc/31/77/40/375317740.db2.gz SBDUAONFCOHEEQ-UHFFFAOYSA-N 0 3 294.402 2.860 20 30 CFEDHN C=C(C)CN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000101545098 375638522 /nfs/dbraw/zinc/63/85/22/375638522.db2.gz IMIDFIFBQSYUFV-AWEZNQCLSA-N 0 3 273.380 2.617 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)CCC1CCCCC1 ZINC000101565662 375641228 /nfs/dbraw/zinc/64/12/28/375641228.db2.gz OTUXQULOJRPIKJ-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ccc(F)cc1C#N ZINC000104186736 375771490 /nfs/dbraw/zinc/77/14/90/375771490.db2.gz FSXCBXQSPGRSIN-LBPRGKRZSA-N 0 3 261.344 2.984 20 30 CFEDHN COCC#CCN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000678742337 542063922 /nfs/dbraw/zinc/06/39/22/542063922.db2.gz KXTHPHQSWGTBOI-LLVKDONJSA-N 0 3 269.291 2.588 20 30 CFEDHN CC[C@H](C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111036630 375832948 /nfs/dbraw/zinc/83/29/48/375832948.db2.gz VFYUYQBXIFUPAG-LBPRGKRZSA-N 0 3 261.344 2.618 20 30 CFEDHN CCCN(CC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000112523475 375927388 /nfs/dbraw/zinc/92/73/88/375927388.db2.gz HECRWAZNWMDAGO-KRWDZBQOSA-N 0 3 271.408 2.887 20 30 CFEDHN C=CCC(CC=C)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000262235599 190050948 /nfs/dbraw/zinc/05/09/48/190050948.db2.gz OMCBSDQUWBPXAO-DLBZAZTESA-N 0 3 284.403 2.708 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115553329 376137296 /nfs/dbraw/zinc/13/72/96/376137296.db2.gz HBTLQVBYPJMBDN-RDJZCZTQSA-N 0 3 299.418 2.627 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116309113 376177522 /nfs/dbraw/zinc/17/75/22/376177522.db2.gz BGFHTQMUEGAEAC-CABCVRRESA-N 0 3 293.455 2.895 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@@H]12 ZINC000640101123 383712677 /nfs/dbraw/zinc/71/26/77/383712677.db2.gz OBWBVLTYXMEYRP-FGTMMUONSA-N 0 3 287.378 2.803 20 30 CFEDHN CCOC(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118390432 376290387 /nfs/dbraw/zinc/29/03/87/376290387.db2.gz NTUYOERLUVCGFU-XJKSGUPXSA-N 0 3 286.375 2.894 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000118399455 376292673 /nfs/dbraw/zinc/29/26/73/376292673.db2.gz RBMGMWNXQOLPOM-YOEHRIQHSA-N 0 3 297.402 2.706 20 30 CFEDHN N#Cc1cnc(NC2CCN(C3CC3)CC2)c(Cl)c1 ZINC000263723660 190075308 /nfs/dbraw/zinc/07/53/08/190075308.db2.gz BLPONTAZBUWATF-UHFFFAOYSA-N 0 3 276.771 2.645 20 30 CFEDHN CC(C)N(CCCSCC#N)Cc1cccnc1 ZINC000119767456 376468548 /nfs/dbraw/zinc/46/85/48/376468548.db2.gz FBIRAEBVZQRFHK-UHFFFAOYSA-N 0 3 263.410 2.939 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000263958087 190086319 /nfs/dbraw/zinc/08/63/19/190086319.db2.gz CUORGWNEULVHCG-INIZCTEOSA-N 0 3 272.392 2.733 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1cc(C#N)ccc1F ZINC000264459342 190111000 /nfs/dbraw/zinc/11/10/00/190111000.db2.gz USRBTPLWDCLYRY-UHFFFAOYSA-N 0 3 278.371 2.928 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCN(C2CCCC2)CC1 ZINC000120605905 376651689 /nfs/dbraw/zinc/65/16/89/376651689.db2.gz VSAIWTCURRLLFB-UHFFFAOYSA-N 0 3 299.418 2.627 20 30 CFEDHN COc1cc(C#N)ccc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000120625337 376655612 /nfs/dbraw/zinc/65/56/12/376655612.db2.gz HPHLCHKMJQBDMS-AWEZNQCLSA-N 0 3 286.375 2.568 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000120674529 376666687 /nfs/dbraw/zinc/66/66/87/376666687.db2.gz OXIFHJCCQADWLS-AWEZNQCLSA-N 0 3 296.374 2.670 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C=C(C2CC2)C2CC2)CC1 ZINC000264485727 190113158 /nfs/dbraw/zinc/11/31/58/190113158.db2.gz MRFNVVSQEHEQOW-UHFFFAOYSA-N 0 3 288.435 2.890 20 30 CFEDHN CC(C)(C)C[C@@H](CO)NCc1ccc(C#N)s1 ZINC000121384627 376818733 /nfs/dbraw/zinc/81/87/33/376818733.db2.gz KLVFANUGODIDAC-JTQLQIEISA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000121480216 376841624 /nfs/dbraw/zinc/84/16/24/376841624.db2.gz WXPKQGVNVVOBJI-SNVBAGLBSA-N 0 3 290.190 2.851 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000121479861 376841732 /nfs/dbraw/zinc/84/17/32/376841732.db2.gz YVKNMFYFSVUTPU-HNNXBMFYSA-N 0 3 277.408 2.842 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccccc2F)n1 ZINC000121950352 376919291 /nfs/dbraw/zinc/91/92/91/376919291.db2.gz MRUIEMPIONBNHR-VIFPVBQESA-N 0 3 275.308 2.837 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C)[C@@H](C)C1 ZINC000122877040 376940003 /nfs/dbraw/zinc/94/00/03/376940003.db2.gz KDFSRFYHPKWEAR-KKUMJFAQSA-N 0 3 264.413 2.553 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000124422277 377050091 /nfs/dbraw/zinc/05/00/91/377050091.db2.gz WBWHXDMGEHVVOY-UAGQMJEPSA-N 0 3 288.366 2.823 20 30 CFEDHN C=C(C)COCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000125819418 377193745 /nfs/dbraw/zinc/19/37/45/377193745.db2.gz HGEPTZCNNCCYPM-UHFFFAOYSA-N 0 3 297.782 2.794 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)CCC[C@@H]1C ZINC000125308450 377140810 /nfs/dbraw/zinc/14/08/10/377140810.db2.gz SELHGGJCAPIKQT-YCPHGPKFSA-N 0 3 279.428 2.551 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)s1 ZINC000128122618 377318025 /nfs/dbraw/zinc/31/80/25/377318025.db2.gz JXGDZSNIXLOKIN-BXUZGUMPSA-N 0 3 262.378 2.621 20 30 CFEDHN C=CCN(CCC(=O)N(C)CC)Cc1cccs1 ZINC000130049134 377505911 /nfs/dbraw/zinc/50/59/11/377505911.db2.gz HBFCCNWWPDOGRS-UHFFFAOYSA-N 0 3 266.410 2.605 20 30 CFEDHN C[C@@H](C[C@H](O)c1ccccc1)NCc1ccc(C#N)o1 ZINC000129942808 377492747 /nfs/dbraw/zinc/49/27/47/377492747.db2.gz QTOMBWQBOUBYNV-LRDDRELGSA-N 0 3 270.332 2.753 20 30 CFEDHN C#CCSCCN[C@H](C)c1cccnc1Cl ZINC000129995572 377499851 /nfs/dbraw/zinc/49/98/51/377499851.db2.gz YHYIRUQLHGMUTM-SNVBAGLBSA-N 0 3 254.786 2.752 20 30 CFEDHN C=CCOc1cccc(CN2CCC([C@@H](C)O)CC2)c1 ZINC000130406217 377552499 /nfs/dbraw/zinc/55/24/99/377552499.db2.gz BRMZOOJDJBLCTK-CQSZACIVSA-N 0 3 275.392 2.844 20 30 CFEDHN N#Cc1cccc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000265517342 190187372 /nfs/dbraw/zinc/18/73/72/190187372.db2.gz LOQWAVABSISZOB-AWEZNQCLSA-N 0 3 282.347 2.795 20 30 CFEDHN C=CCOCCNCc1c[nH]nc1-c1cccc(C)c1 ZINC000679485867 542196780 /nfs/dbraw/zinc/19/67/80/542196780.db2.gz NYNFWXFWKCAZBV-UHFFFAOYSA-N 0 3 271.364 2.677 20 30 CFEDHN C=CCOCCNCc1cc(F)cc2cccnc21 ZINC000679485815 542196971 /nfs/dbraw/zinc/19/69/71/542196971.db2.gz NJRKFKUBGOEJHP-UHFFFAOYSA-N 0 3 260.312 2.666 20 30 CFEDHN C=CCCN(C)Cc1cc(F)cc2c1OCOC2 ZINC000265785775 190206544 /nfs/dbraw/zinc/20/65/44/190206544.db2.gz LHHCWQTXUPTCFR-UHFFFAOYSA-N 0 3 251.301 2.700 20 30 CFEDHN C=CCN(CCn1ccnc1)Cc1ccc(OC)cc1 ZINC000131220318 377677850 /nfs/dbraw/zinc/67/78/50/377677850.db2.gz VZODYWXGXHQKKL-UHFFFAOYSA-N 0 3 271.364 2.580 20 30 CFEDHN CCCCN(CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000132599846 377856668 /nfs/dbraw/zinc/85/66/68/377856668.db2.gz QEQUAEAMKGUWAD-ZDUSSCGKSA-N 0 3 291.420 2.847 20 30 CFEDHN CCN1CCC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000133259999 377917675 /nfs/dbraw/zinc/91/76/75/377917675.db2.gz DQIQSBRPUSVFSH-SECBINFHSA-N 0 3 284.816 2.812 20 30 CFEDHN CCc1noc(C2CCC(N[C@@H](CC)CC#N)CC2)n1 ZINC000133200144 377913418 /nfs/dbraw/zinc/91/34/18/377913418.db2.gz PUTNKUBWDMOPJQ-CPCZMJQVSA-N 0 3 276.384 2.940 20 30 CFEDHN CCOC(=O)[C@H]1CC[C@@H](N[C@H](CC)CC#N)C[C@H]1C ZINC000133195251 377913854 /nfs/dbraw/zinc/91/38/54/377913854.db2.gz QYPZVCLICVWPEN-SYQHCUMBSA-N 0 3 266.385 2.636 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@@H](NCc2cncs2)C1 ZINC000136096849 378179692 /nfs/dbraw/zinc/17/96/92/378179692.db2.gz TVPWLHGDZFOMGJ-CQSZACIVSA-N 0 3 298.415 2.773 20 30 CFEDHN C#CCCCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000150731120 378268878 /nfs/dbraw/zinc/26/88/78/378268878.db2.gz GRXVJZNGBUZFSJ-UHFFFAOYSA-N 0 3 276.336 2.887 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000150845778 378275746 /nfs/dbraw/zinc/27/57/46/378275746.db2.gz KLVHBAYYAVICEP-HIFRSBDPSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NCc1ccco1 ZINC000150892116 378278231 /nfs/dbraw/zinc/27/82/31/378278231.db2.gz JWPQZDPJJZRHQW-UHFFFAOYSA-N 0 3 264.369 2.574 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cncc(C)c2)CC1 ZINC000151558274 378337847 /nfs/dbraw/zinc/33/78/47/378337847.db2.gz JLEMUBKTLMFLLU-SNAWJCMRSA-N 0 3 299.418 2.560 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)C3CC3)CC2)C1 ZINC000328706498 378416221 /nfs/dbraw/zinc/41/62/21/378416221.db2.gz AJPOVFNBHCFUSM-BXUZGUMPSA-N 0 3 261.369 2.510 20 30 CFEDHN O=C(CN[C@@H]1CCC(=O)NC12CCC2)NC1CCCCC1 ZINC000328694899 378416487 /nfs/dbraw/zinc/41/64/87/378416487.db2.gz KFPFSAQWRJYFJO-CYBMUJFWSA-N 0 3 293.411 2.907 20 30 CFEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@H]1CC[C@H](C#N)C1 ZINC000328964399 378444735 /nfs/dbraw/zinc/44/47/35/378444735.db2.gz RSRGSTGJSOAHOP-YXWQFLTLSA-N 0 3 288.395 2.576 20 30 CFEDHN O=C(NC1(CCO)CCCC1)C1CCN(C2CC2)CC1 ZINC000329323801 378454686 /nfs/dbraw/zinc/45/46/86/378454686.db2.gz SDKIBDJLTYJHSA-UHFFFAOYSA-N 0 3 280.412 2.513 20 30 CFEDHN Cc1cnc(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)nc1 ZINC000328828143 378430763 /nfs/dbraw/zinc/43/07/63/378430763.db2.gz IRGIHKDIDGFFSZ-MJBXVCDLSA-N 0 3 290.411 2.545 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC000328829429 378430935 /nfs/dbraw/zinc/43/09/35/378430935.db2.gz UPXSTMBNSCMTFM-GFCCVEGCSA-N 0 3 281.400 2.574 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC1(O)CCCCC1 ZINC000328844729 378432623 /nfs/dbraw/zinc/43/26/23/378432623.db2.gz RGAMJBYSOIADJW-OCCSQVGLSA-N 0 3 280.412 2.511 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C#N)c1 ZINC000153742907 378507830 /nfs/dbraw/zinc/50/78/30/378507830.db2.gz LYMYPAAFWAUIHA-BXUZGUMPSA-N 0 3 297.324 2.845 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000329883914 378508269 /nfs/dbraw/zinc/50/82/69/378508269.db2.gz RRQRSSUOPAFATJ-ZDUSSCGKSA-N 0 3 295.427 2.964 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CC(C)C ZINC000153758347 378509313 /nfs/dbraw/zinc/50/93/13/378509313.db2.gz CDIQBUNNNVHHKC-CQSZACIVSA-N 0 3 252.402 2.553 20 30 CFEDHN CCN1CCC[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000329896517 378509756 /nfs/dbraw/zinc/50/97/56/378509756.db2.gz COBRZIDRFPXWRP-CYBMUJFWSA-N 0 3 287.363 2.925 20 30 CFEDHN CCCn1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)cn1 ZINC000329944701 378515757 /nfs/dbraw/zinc/51/57/57/378515757.db2.gz IOZJFYPZMCWAEY-HNNXBMFYSA-N 0 3 290.411 2.615 20 30 CFEDHN C[C@@H]1CCC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330396939 378544761 /nfs/dbraw/zinc/54/47/61/378544761.db2.gz SBSIQPUWSYWUJB-DDTOSNHZSA-N 0 3 257.337 2.913 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330543747 378581582 /nfs/dbraw/zinc/58/15/82/378581582.db2.gz BCSIHWNYCIESFJ-ARFHVFGLSA-N 0 3 294.439 2.568 20 30 CFEDHN C=CCN(C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000154770750 378594762 /nfs/dbraw/zinc/59/47/62/378594762.db2.gz DNWCXRPPCKTALD-UHFFFAOYSA-N 0 3 263.291 2.973 20 30 CFEDHN CC(=O)c1cccc(NC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000155397760 378625607 /nfs/dbraw/zinc/62/56/07/378625607.db2.gz FPMYHORKZOLGCT-CYBMUJFWSA-N 0 3 299.355 2.900 20 30 CFEDHN CC#CCCNCc1cc2c(cc1SC)OCCO2 ZINC000158345126 378668373 /nfs/dbraw/zinc/66/83/73/378668373.db2.gz FZNXJTZZKCDLAS-UHFFFAOYSA-N 0 3 277.389 2.683 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@@]3(CCOC3)C2)c1 ZINC000156825571 378646251 /nfs/dbraw/zinc/64/62/51/378646251.db2.gz YTGYHMBCKBPJNR-MRXNPFEDSA-N 0 3 275.779 2.804 20 30 CFEDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000331194163 378647486 /nfs/dbraw/zinc/64/74/86/378647486.db2.gz XESNWNZUKHVZKQ-GJZGRUSLSA-N 0 3 278.783 2.852 20 30 CFEDHN CC(C)Oc1cccnc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000331205575 378648620 /nfs/dbraw/zinc/64/86/20/378648620.db2.gz ZDKHGEJVBLKBGP-CHWSQXEVSA-N 0 3 291.395 2.656 20 30 CFEDHN CC1(C#N)CCC(NCc2cn3c(n2)CCCC3)CC1 ZINC000333024662 378812835 /nfs/dbraw/zinc/81/28/35/378812835.db2.gz AEQSDNBHAVQFMS-UHFFFAOYSA-N 0 3 272.396 2.781 20 30 CFEDHN N#Cc1cccc(C2(NC[C@@H]3CCC=CO3)CC2)c1 ZINC000278521261 194025235 /nfs/dbraw/zinc/02/52/35/194025235.db2.gz RZWSALDEODUMEE-HNNXBMFYSA-N 0 3 254.333 2.830 20 30 CFEDHN C[C@@H]1[C@@H](C)N(CC#Cc2ccccc2Cl)CCN1C ZINC000334175794 378900938 /nfs/dbraw/zinc/90/09/38/378900938.db2.gz BZLZMHCMIDWGKB-ZIAGYGMSSA-N 0 3 276.811 2.716 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000163012662 378949574 /nfs/dbraw/zinc/94/95/74/378949574.db2.gz NEFNMMJUPGXWCB-HNNXBMFYSA-N 0 3 287.407 2.573 20 30 CFEDHN CCC[C@H](CC)NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000163084554 378953493 /nfs/dbraw/zinc/95/34/93/378953493.db2.gz ICJPPNJBMQEHSC-AWEZNQCLSA-N 0 3 294.420 2.500 20 30 CFEDHN C=CCN1CCC(Nc2ccc(Br)cn2)CC1 ZINC000266322478 190249054 /nfs/dbraw/zinc/24/90/54/190249054.db2.gz FTEMIDUCNDXEEJ-UHFFFAOYSA-N 0 3 296.212 2.906 20 30 CFEDHN COCCSCCCN(C)Cc1ccc(C#N)cc1 ZINC000278580370 194054333 /nfs/dbraw/zinc/05/43/33/194054333.db2.gz YDTDQPDLBVQEGM-UHFFFAOYSA-N 0 3 278.421 2.760 20 30 CFEDHN CC[C@H](NCc1c[nH]nc1C)c1ccc(C#N)cc1 ZINC000278631405 194076569 /nfs/dbraw/zinc/07/65/69/194076569.db2.gz GWYIUDALTXZSFW-HNNXBMFYSA-N 0 3 254.337 2.831 20 30 CFEDHN N#Cc1csc(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000335282605 379022182 /nfs/dbraw/zinc/02/21/82/379022182.db2.gz FLCAHUBIFMFYBM-LBPRGKRZSA-N 0 3 270.357 2.582 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cncc(Br)c2)C1 ZINC000335286603 379027697 /nfs/dbraw/zinc/02/76/97/379027697.db2.gz XIAGELLTZSMNAG-JOYOIKCWSA-N 0 3 280.169 2.626 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000278705163 194112360 /nfs/dbraw/zinc/11/23/60/194112360.db2.gz LFJNTPOVKDYMGG-SWLSCSKDSA-N 0 3 287.407 2.902 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1F ZINC000334321622 379089487 /nfs/dbraw/zinc/08/94/87/379089487.db2.gz ICSQATKUJAYZPJ-CVEARBPZSA-N 0 3 287.382 2.756 20 30 CFEDHN CCOCC(C)(C)NCc1cccc(C#N)c1F ZINC000339372157 220263559 /nfs/dbraw/zinc/26/35/59/220263559.db2.gz LVUPWRCOQBRHMF-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000335367491 379171090 /nfs/dbraw/zinc/17/10/90/379171090.db2.gz SFGMEFQTQOXBLE-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN CSCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000170930793 379193873 /nfs/dbraw/zinc/19/38/73/379193873.db2.gz IKRJSPXYWOOCNI-UHFFFAOYSA-N 0 3 276.405 2.764 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000334381300 379196234 /nfs/dbraw/zinc/19/62/34/379196234.db2.gz JJFZHLAYVZHJLL-GDBMZVCRSA-N 0 3 264.413 2.533 20 30 CFEDHN C#CCCN(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000278907080 194205477 /nfs/dbraw/zinc/20/54/77/194205477.db2.gz KHPUAOVRUUINHX-CQSZACIVSA-N 0 3 251.757 2.983 20 30 CFEDHN C[C@H](NCCO[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278936560 194221159 /nfs/dbraw/zinc/22/11/59/194221159.db2.gz XTELVWDAZLWKOU-XJKSGUPXSA-N 0 3 274.364 2.752 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2C)CC1 ZINC000171738004 379389453 /nfs/dbraw/zinc/38/94/53/379389453.db2.gz UMVXQDPBDBCPGD-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN C=CCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334514183 379431317 /nfs/dbraw/zinc/43/13/17/379431317.db2.gz UBMKFPXZQAIOKE-LLVKDONJSA-N 0 3 263.303 2.853 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)/C=C/c1ccccc1C#N ZINC000171873893 379425906 /nfs/dbraw/zinc/42/59/06/379425906.db2.gz WBWXLNSMEVFPOC-SXSDINLZSA-N 0 3 297.402 2.562 20 30 CFEDHN C=CCCCN1CCCN(c2nccs2)CC1 ZINC000172176691 379512052 /nfs/dbraw/zinc/51/20/52/379512052.db2.gz ZIFZDMZGROBTMI-UHFFFAOYSA-N 0 3 251.399 2.621 20 30 CFEDHN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)C(C)(C)C1 ZINC000266914453 190290154 /nfs/dbraw/zinc/29/01/54/190290154.db2.gz FFCXSSMINZXXIE-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1cc(C#N)cs1 ZINC000334581990 379571268 /nfs/dbraw/zinc/57/12/68/379571268.db2.gz JZBQJLWVUJWMDD-TZMCWYRMSA-N 0 3 275.421 2.678 20 30 CFEDHN C=C(C)CN(CC)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172730075 379635355 /nfs/dbraw/zinc/63/53/55/379635355.db2.gz DMGACGHLNCHQHA-HNNXBMFYSA-N 0 3 274.364 2.910 20 30 CFEDHN C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000172616415 379608700 /nfs/dbraw/zinc/60/87/00/379608700.db2.gz JVYXITQBHGPDTD-JBRJIWJGSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000267169141 190308595 /nfs/dbraw/zinc/30/85/95/190308595.db2.gz UEOAYNFNYQOLLY-CQSZACIVSA-N 0 3 290.407 2.976 20 30 CFEDHN CN(CCNc1ncccc1C#N)Cc1ccc(F)cc1 ZINC000267183371 190309532 /nfs/dbraw/zinc/30/95/32/190309532.db2.gz KULBXZSACNQQSJ-UHFFFAOYSA-N 0 3 284.338 2.636 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000267189062 190310012 /nfs/dbraw/zinc/31/00/12/190310012.db2.gz LXLILVXNRMWEEU-CYBMUJFWSA-N 0 3 283.400 2.988 20 30 CFEDHN COCC(COC)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000453334798 284797765 /nfs/dbraw/zinc/79/77/65/284797765.db2.gz JWSORZUBPPKNAY-KRWDZBQOSA-N 0 3 288.391 2.577 20 30 CFEDHN N#Cc1cccc(CN[C@H]2Cc3cccc(O)c3C2)c1F ZINC000335713584 379767767 /nfs/dbraw/zinc/76/77/67/379767767.db2.gz NISVTNOEIMBHBS-AWEZNQCLSA-N 0 3 282.318 2.660 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000334738271 379854172 /nfs/dbraw/zinc/85/41/72/379854172.db2.gz IITKKEUHCMLZQL-CZUORRHYSA-N 0 3 258.365 2.724 20 30 CFEDHN COCCN(CCCCCCO)Cc1ccc(C#N)cc1 ZINC000267542057 190336646 /nfs/dbraw/zinc/33/66/46/190336646.db2.gz VTUJKLFZBQIAMY-UHFFFAOYSA-N 0 3 290.407 2.559 20 30 CFEDHN C=CCOc1ccc(CNCC(C)(C)OC)cc1OC ZINC000174597687 379915814 /nfs/dbraw/zinc/91/58/14/379915814.db2.gz FOXNZLBIIPRFFF-UHFFFAOYSA-N 0 3 279.380 2.775 20 30 CFEDHN COc1cccc(C2(F)CCN(C(=O)C(C)C#N)CC2)c1 ZINC000335778233 379874008 /nfs/dbraw/zinc/87/40/08/379874008.db2.gz KIFCXTSFAKVDHE-LBPRGKRZSA-N 0 3 290.338 2.642 20 30 CFEDHN CC[C@@H]1CCCCN1CCNCc1ccc(C#N)o1 ZINC000174386428 379875366 /nfs/dbraw/zinc/87/53/66/379875366.db2.gz CXSHVUGBRLIWKH-CYBMUJFWSA-N 0 3 261.369 2.505 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000335103099 379974351 /nfs/dbraw/zinc/97/43/51/379974351.db2.gz LHFMXAOACVMBGO-ZFWWWQNUSA-N 0 3 256.349 2.942 20 30 CFEDHN C[C@@H]1CSC[C@@H]1NCc1cccc(C#N)c1F ZINC000335824014 379949368 /nfs/dbraw/zinc/94/93/68/379949368.db2.gz KOQKFKQCEWWJEW-SKDRFNHKSA-N 0 3 250.342 2.538 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000335143198 379982646 /nfs/dbraw/zinc/98/26/46/379982646.db2.gz DJFJLSGAKBLQMG-PRHODGIISA-N 0 3 293.164 2.712 20 30 CFEDHN C[C@@H](N[C@@H]1COCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000335221910 380031324 /nfs/dbraw/zinc/03/13/24/380031324.db2.gz KLYNALCRGJFKFJ-QMTHXVAHSA-N 0 3 262.328 2.773 20 30 CFEDHN N#Cc1cc(CN[C@@H]2Cc3cccc(O)c3C2)ccc1F ZINC000335902541 380078947 /nfs/dbraw/zinc/07/89/47/380078947.db2.gz CEEWIILILOXHAZ-CQSZACIVSA-N 0 3 282.318 2.660 20 30 CFEDHN N#Cc1ccc(CN(CCC2OCCCO2)C2CC2)cc1 ZINC000267943090 190364462 /nfs/dbraw/zinc/36/44/62/190364462.db2.gz ONJABFPAUYSHEC-UHFFFAOYSA-N 0 3 286.375 2.676 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000268173323 190383393 /nfs/dbraw/zinc/38/33/93/190383393.db2.gz JOBHFVKRHPVMHF-OAHLLOKOSA-N 0 3 278.440 2.991 20 30 CFEDHN C#CCN(CCCCCCO)Cc1ccc(F)cc1 ZINC000175752731 380124991 /nfs/dbraw/zinc/12/49/91/380124991.db2.gz QTCRXIQHNMNPGI-UHFFFAOYSA-N 0 3 263.356 2.814 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc(C#N)cc1Cl ZINC000176729197 380267494 /nfs/dbraw/zinc/26/74/94/380267494.db2.gz CGOXLSVIKZXGED-OLZOCXBDSA-N 0 3 290.798 2.670 20 30 CFEDHN N#Cc1csc(CNCCOCc2ccccc2)c1 ZINC000177708892 380370669 /nfs/dbraw/zinc/37/06/69/380370669.db2.gz IQDWVCYMGXAIMV-UHFFFAOYSA-N 0 3 272.373 2.926 20 30 CFEDHN C[C@@H](NCCC[C@H](C)O)c1ccc(C#N)c(F)c1 ZINC000279069759 194270718 /nfs/dbraw/zinc/27/07/18/194270718.db2.gz LMXRCTKGLHWEOW-WDEREUQCSA-N 0 3 250.317 2.509 20 30 CFEDHN Cn1cc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000336526913 380415554 /nfs/dbraw/zinc/41/55/54/380415554.db2.gz DHPARHSLAHMOOZ-QGZVFWFLSA-N 0 3 280.375 2.849 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000336581086 380500399 /nfs/dbraw/zinc/50/03/99/380500399.db2.gz OTZHDIJZCPRNPL-INIZCTEOSA-N 0 3 299.418 2.903 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NC[C@H]2CCCCO2)cc1 ZINC000268812762 190435987 /nfs/dbraw/zinc/43/59/87/190435987.db2.gz OWUGCYBHYOAGAU-RHSMWYFYSA-N 0 3 273.376 2.918 20 30 CFEDHN C=CCCCNCc1ccc(OC)c(OC)c1OC ZINC000279162427 194311783 /nfs/dbraw/zinc/31/17/83/194311783.db2.gz PXRIEWXBMFEJPN-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2nc(Cl)cs2)CC1 ZINC000279163313 194313247 /nfs/dbraw/zinc/31/32/47/194313247.db2.gz GJJLBBKCKSKDLG-UHFFFAOYSA-N 0 3 299.827 2.567 20 30 CFEDHN C[C@@H](CO)N(CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000279196936 194328103 /nfs/dbraw/zinc/32/81/03/194328103.db2.gz FOXIXMPPLRVAAQ-AWEZNQCLSA-N 0 3 275.367 2.803 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cccc(Cl)c1F ZINC000341260075 380876071 /nfs/dbraw/zinc/87/60/71/380876071.db2.gz BZUWLBKYRZADTL-SNVBAGLBSA-N 0 3 257.736 2.753 20 30 CFEDHN CCCN(C)CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000346977133 380838410 /nfs/dbraw/zinc/83/84/10/380838410.db2.gz IAKGYMRWPHUARY-CQSZACIVSA-N 0 3 287.407 2.810 20 30 CFEDHN C=C(CC)CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000358495864 380881995 /nfs/dbraw/zinc/88/19/95/380881995.db2.gz IANDWHOBWUKHCM-UHFFFAOYSA-N 0 3 258.365 2.716 20 30 CFEDHN C=C(CC)CN(CCOC)Cc1ccc(C#N)cc1 ZINC000358501852 380885640 /nfs/dbraw/zinc/88/56/40/380885640.db2.gz UFBXUYRZCWDPON-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN C=C(CC)CN(C)Cc1ccccc1N1CCOCC1 ZINC000358500879 380886029 /nfs/dbraw/zinc/88/60/29/380886029.db2.gz QZVSDNFPFLEFKO-UHFFFAOYSA-N 0 3 274.408 2.921 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CCCCO1 ZINC000404085249 380898919 /nfs/dbraw/zinc/89/89/19/380898919.db2.gz QZUJYZDHGHFWKE-NHYWBVRUSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H](CN1CCCCC1)NCc1ccc(C#N)c(F)c1 ZINC000404094530 380899838 /nfs/dbraw/zinc/89/98/38/380899838.db2.gz AAUIYYFMLQMPNA-CYBMUJFWSA-N 0 3 275.371 2.661 20 30 CFEDHN CSCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000404096666 380900599 /nfs/dbraw/zinc/90/05/99/380900599.db2.gz BDXBTLLCZAVWDW-UHFFFAOYSA-N 0 3 252.358 2.882 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000404153669 380903510 /nfs/dbraw/zinc/90/35/10/380903510.db2.gz UFDDKBSAQZCDTF-ZIAGYGMSSA-N 0 3 262.328 2.600 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000404157804 380903591 /nfs/dbraw/zinc/90/35/91/380903591.db2.gz XGSNPBJLEGMFDH-LSDHHAIUSA-N 0 3 276.355 2.991 20 30 CFEDHN N#CCCC[C@@H](NCc1c[nH]cn1)c1ccccc1 ZINC000353917246 380953291 /nfs/dbraw/zinc/95/32/91/380953291.db2.gz ULPNXNNBYDKGPP-OAHLLOKOSA-N 0 3 254.337 2.934 20 30 CFEDHN N#CCCC[C@@H](NCc1cnc[nH]1)c1ccccc1 ZINC000353917246 380953299 /nfs/dbraw/zinc/95/32/99/380953299.db2.gz ULPNXNNBYDKGPP-OAHLLOKOSA-N 0 3 254.337 2.934 20 30 CFEDHN C[C@@H](NC[C@H](O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000358594796 380957537 /nfs/dbraw/zinc/95/75/37/380957537.db2.gz UGCPUEKLDBCNHN-YGRLFVJLSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@@H](CCC#N)N1CCCN(Cc2ccccc2)CC1 ZINC000411142957 381009180 /nfs/dbraw/zinc/00/91/80/381009180.db2.gz LOJNIFUUDDSSPV-INIZCTEOSA-N 0 3 271.408 2.887 20 30 CFEDHN N#CC1(CCN2CCC(CO)CC2)CCCCC1 ZINC000411160511 381013772 /nfs/dbraw/zinc/01/37/72/381013772.db2.gz ADRVOAAATSOUQW-UHFFFAOYSA-N 0 3 250.386 2.555 20 30 CFEDHN C[C@H](CCC#N)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000411216249 381018682 /nfs/dbraw/zinc/01/86/82/381018682.db2.gz JHXMKFLBLAEFEA-GFCCVEGCSA-N 0 3 266.385 2.732 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)NCCCOC ZINC000411253559 381020668 /nfs/dbraw/zinc/02/06/68/381020668.db2.gz DMQDHRJTGWFBAT-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN CC(C)(C[C@@H]1CCCN(CC#Cc2ccccc2)C1)C(N)=O ZINC000295657493 380999841 /nfs/dbraw/zinc/99/98/41/380999841.db2.gz QNIWDPQOWMPCHP-KRWDZBQOSA-N 0 3 298.430 2.652 20 30 CFEDHN C=CCN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295660191 381001614 /nfs/dbraw/zinc/00/16/14/381001614.db2.gz DYWAVNVAIRZYDH-UHFFFAOYSA-N 0 3 274.408 2.920 20 30 CFEDHN Cc1nsc(NC[C@H]2CCCN(C(C)C)C2)c1C#N ZINC000288073497 381004955 /nfs/dbraw/zinc/00/49/55/381004955.db2.gz HCMABPHPLKHIHL-GFCCVEGCSA-N 0 3 278.425 2.856 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1cc(C#N)ccc1F)C1CC1 ZINC000411941456 381065995 /nfs/dbraw/zinc/06/59/95/381065995.db2.gz HFAXWRFIVLGMJB-BZNIZROVSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@H](C)OC)cc1OC ZINC000289614808 381067504 /nfs/dbraw/zinc/06/75/04/381067504.db2.gz LHUITJZHNKWGBQ-ZDUSSCGKSA-N 0 3 279.380 2.727 20 30 CFEDHN C[C@H](CNc1nccc(C#N)c1Cl)N1CCCC[C@H]1C ZINC000341533862 381071125 /nfs/dbraw/zinc/07/11/25/381071125.db2.gz OGPVDVRDLKIEPV-VXGBXAGGSA-N 0 3 292.814 2.703 20 30 CFEDHN N#Cc1csc(CN2CCC(CCCO)CC2)c1 ZINC000341536070 381072592 /nfs/dbraw/zinc/07/25/92/381072592.db2.gz TZGCWIYVMZJCLA-UHFFFAOYSA-N 0 3 264.394 2.604 20 30 CFEDHN COCCO[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411603094 381035229 /nfs/dbraw/zinc/03/52/29/381035229.db2.gz LLOXAMKSSLFHET-OAHLLOKOSA-N 0 3 280.412 2.588 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000354041507 381040191 /nfs/dbraw/zinc/04/01/91/381040191.db2.gz AVUPOMCMSHYBBM-AWEZNQCLSA-N 0 3 266.429 2.779 20 30 CFEDHN N#Cc1ccccc1CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000412010362 381090625 /nfs/dbraw/zinc/09/06/25/381090625.db2.gz IMHMGGLQJSHODW-UHFFFAOYSA-N 0 3 296.414 2.835 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H]1CCn2ccnc21)C(C)C ZINC000295816888 381094897 /nfs/dbraw/zinc/09/48/97/381094897.db2.gz DCYDJQHVPYHHSO-HZPDHXFCSA-N 0 3 288.439 2.616 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000411971931 381076869 /nfs/dbraw/zinc/07/68/69/381076869.db2.gz PFZULBMZVPXDGK-ZBEGNZNMSA-N 0 3 276.355 2.991 20 30 CFEDHN CCN(CC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182782777 381155950 /nfs/dbraw/zinc/15/59/50/381155950.db2.gz IKXLZGUBCXOFIR-QGZVFWFLSA-N 0 3 297.402 2.786 20 30 CFEDHN C=C[C@@H](CO)NC1CC(c2ccc(Cl)cc2)C1 ZINC000289799598 381164031 /nfs/dbraw/zinc/16/40/31/381164031.db2.gz NUCUOVJORLAGDX-QRMWWUJWSA-N 0 3 251.757 2.723 20 30 CFEDHN C[C@@H]1CC(C)(C)CN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000412050517 381130225 /nfs/dbraw/zinc/13/02/25/381130225.db2.gz YOXOACGNDLPDKR-CZUORRHYSA-N 0 3 297.402 2.784 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](CC)c2nccn2C)CC1 ZINC000182870610 381177804 /nfs/dbraw/zinc/17/78/04/381177804.db2.gz VXQNUDJWAORXMZ-OAHLLOKOSA-N 0 3 276.428 2.501 20 30 CFEDHN C=C[C@@H](CO)N[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000289846472 381185441 /nfs/dbraw/zinc/18/54/41/381185441.db2.gz QEPMWDUVGUVXFN-NWDGAFQWSA-N 0 3 296.392 2.602 20 30 CFEDHN CC[C@H](C)N1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000295986952 381198983 /nfs/dbraw/zinc/19/89/83/381198983.db2.gz LOGSTCZQKTVYPU-NSHDSACASA-N 0 3 278.787 2.527 20 30 CFEDHN CC[C@H](C)[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000183056575 381205385 /nfs/dbraw/zinc/20/53/85/381205385.db2.gz QGARZUJQBSWRLI-LSDHHAIUSA-N 0 3 287.407 2.957 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCC1(F)F ZINC000289896796 381207719 /nfs/dbraw/zinc/20/77/19/381207719.db2.gz SHEHSCYGHWEIAJ-RISCZKNCSA-N 0 3 280.318 2.569 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](CC(C)C)C1 ZINC000342129600 381212470 /nfs/dbraw/zinc/21/24/70/381212470.db2.gz CCWDMZSUWSKDKW-HOTGVXAUSA-N 0 3 278.440 2.944 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000289990157 381251870 /nfs/dbraw/zinc/25/18/70/381251870.db2.gz YKPMUVUGKAEEKS-PWSUYJOCSA-N 0 3 273.298 2.773 20 30 CFEDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000347629442 381263102 /nfs/dbraw/zinc/26/31/02/381263102.db2.gz KONDABLQYMAOFR-INIZCTEOSA-N 0 3 299.418 2.605 20 30 CFEDHN N#Cc1ccc(OCCN2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000369464262 381266798 /nfs/dbraw/zinc/26/67/98/381266798.db2.gz DSEQZNFZUMQDEW-SJORKVTESA-N 0 3 286.375 2.580 20 30 CFEDHN C=C(C)COc1cc(CN(C)CCN(C)C)ccc1OC ZINC000289934477 381222650 /nfs/dbraw/zinc/22/26/50/381222650.db2.gz WRPZXKRFOWJNFI-UHFFFAOYSA-N 0 3 292.423 2.644 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H]1C(F)F ZINC000342228068 381224898 /nfs/dbraw/zinc/22/48/98/381224898.db2.gz PLINXSSMQRDPIC-NWDGAFQWSA-N 0 3 253.292 2.995 20 30 CFEDHN C[C@@H](N[C@H](CO)CC1CCC1)c1ccc(C#N)cc1F ZINC000359033464 381225619 /nfs/dbraw/zinc/22/56/19/381225619.db2.gz GFZAYIWNBJCAIH-RISCZKNCSA-N 0 3 276.355 2.899 20 30 CFEDHN C=C1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000354403846 381247078 /nfs/dbraw/zinc/24/70/78/381247078.db2.gz ZQTAPRYDQFNMDN-UHFFFAOYSA-N 0 3 269.348 2.931 20 30 CFEDHN C#CCCOc1ccc(CNC[C@@H](CC)OC)cc1 ZINC000289983118 381247279 /nfs/dbraw/zinc/24/72/79/381247279.db2.gz ZVFOGLUQTHWARC-OAHLLOKOSA-N 0 3 261.365 2.603 20 30 CFEDHN CCCN1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000369386564 381248818 /nfs/dbraw/zinc/24/88/18/381248818.db2.gz TTWGDVSOKOKTJT-UHFFFAOYSA-N 0 3 278.787 2.529 20 30 CFEDHN COc1cc2c(cc1CNCC(C)(C)CCC#N)OCO2 ZINC000342288042 381250299 /nfs/dbraw/zinc/25/02/99/381250299.db2.gz KYWNSZDKDDFYNE-UHFFFAOYSA-N 0 3 290.363 2.843 20 30 CFEDHN C[C@@H]1CSC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000342352680 381291324 /nfs/dbraw/zinc/29/13/24/381291324.db2.gz YOCNQZACZJEDPY-VHDGCEQUSA-N 0 3 288.416 2.627 20 30 CFEDHN C#Cc1ccc(CN(C)[C@@H](CO)c2ccc(OC)cc2)cc1 ZINC000290093860 381295849 /nfs/dbraw/zinc/29/58/49/381295849.db2.gz RLKACBWKPRGTPS-IBGZPJMESA-N 0 3 295.382 2.842 20 30 CFEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1ccncn1 ZINC000354457292 381283227 /nfs/dbraw/zinc/28/32/27/381283227.db2.gz ALXHRJXQULJKOP-LLVKDONJSA-N 0 3 257.680 2.620 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(CCF)CC1)C(C)C ZINC000290151656 381322132 /nfs/dbraw/zinc/32/21/32/381322132.db2.gz NQDWHKNECCHABL-HNNXBMFYSA-N 0 3 296.430 2.941 20 30 CFEDHN CC[C@@H](CC#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000183807409 381323487 /nfs/dbraw/zinc/32/34/87/381323487.db2.gz SSOUNRJZSPVHSJ-INIZCTEOSA-N 0 3 285.391 2.704 20 30 CFEDHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000290180249 381332216 /nfs/dbraw/zinc/33/22/16/381332216.db2.gz NKUDILFMFMSIPP-MXWKQRLJSA-N 0 3 250.317 2.771 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](OC)C(C)(C)C1 ZINC000296290061 381333697 /nfs/dbraw/zinc/33/36/97/381333697.db2.gz ZKFOITUOWYDZNN-MRXNPFEDSA-N 0 3 288.391 2.814 20 30 CFEDHN CC(C)[C@@]1(CO)CCCN(Cc2cc(C#N)cs2)C1 ZINC000354564222 381340002 /nfs/dbraw/zinc/34/00/02/381340002.db2.gz KGHFTDDBRQZCFC-HNNXBMFYSA-N 0 3 278.421 2.850 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1cccc(C)c1C ZINC000183706844 381308892 /nfs/dbraw/zinc/30/88/92/381308892.db2.gz NQFZEVVTCLYRBI-OAHLLOKOSA-N 0 3 287.407 2.716 20 30 CFEDHN C=CCC[C@@H](O)CN(C)C[C@@H](C)c1nccs1 ZINC000183956901 381345881 /nfs/dbraw/zinc/34/58/81/381345881.db2.gz CEIKSLRFVAPNRN-VXGBXAGGSA-N 0 3 254.399 2.506 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000342479676 381352280 /nfs/dbraw/zinc/35/22/80/381352280.db2.gz UCJCWVPONODOLN-SJLPKXTDSA-N 0 3 298.430 2.947 20 30 CFEDHN C#C[C@@H](NCc1cncc(Br)c1)C(C)(C)C ZINC000290265573 381362272 /nfs/dbraw/zinc/36/22/72/381362272.db2.gz XCVNFHZOJJDNGV-GFCCVEGCSA-N 0 3 281.197 2.982 20 30 CFEDHN CCOC(=O)C1(C)CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000354655786 381388438 /nfs/dbraw/zinc/38/84/38/381388438.db2.gz WOVNOUBFIJQMCK-PGOFDVKTSA-N 0 3 278.396 2.780 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348285018 381477829 /nfs/dbraw/zinc/47/78/29/381477829.db2.gz PZFXFJQIGHLSOT-OUAUKWLOSA-N 0 3 251.292 2.586 20 30 CFEDHN C=CCOCCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000348039097 381454428 /nfs/dbraw/zinc/45/44/28/381454428.db2.gz ULPVRUDWXJQAQZ-KRWDZBQOSA-N 0 3 273.376 2.711 20 30 CFEDHN C=CCOCCCN1CCc2c(ccc(OC)c2OC)C1 ZINC000348044965 381456072 /nfs/dbraw/zinc/45/60/72/381456072.db2.gz IKVGQHHKUOKQIJ-UHFFFAOYSA-N 0 3 291.391 2.655 20 30 CFEDHN C=CCOCCCN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000348044626 381456504 /nfs/dbraw/zinc/45/65/04/381456504.db2.gz BLCKXCMEBOKJHV-HNNXBMFYSA-N 0 3 292.427 2.631 20 30 CFEDHN C=CCOCCCN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000348055467 381457821 /nfs/dbraw/zinc/45/78/21/381457821.db2.gz QDVRNCPWDFAPTC-UHFFFAOYSA-N 0 3 283.412 2.633 20 30 CFEDHN CC1(C)C(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000348294295 381484322 /nfs/dbraw/zinc/48/43/22/381484322.db2.gz RAFXTSPRCCRWIY-CQSZACIVSA-N 0 3 295.386 2.791 20 30 CFEDHN CC(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348100414 381462847 /nfs/dbraw/zinc/46/28/47/381462847.db2.gz JATBDAMHUGNWDV-OAHLLOKOSA-N 0 3 283.375 2.793 20 30 CFEDHN CC1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348194902 381470132 /nfs/dbraw/zinc/47/01/32/381470132.db2.gz JPWWJBUIXSAQRA-PWZRNIHTSA-N 0 3 295.386 2.935 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000342736619 381509099 /nfs/dbraw/zinc/50/90/99/381509099.db2.gz JLSHAVMOZLMFEE-AWEZNQCLSA-N 0 3 260.381 2.508 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000370865630 381510011 /nfs/dbraw/zinc/51/00/11/381510011.db2.gz WSDIXPCLXYTFQK-BRWVUGGUSA-N 0 3 287.378 2.923 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccccc1C ZINC000342736630 381510121 /nfs/dbraw/zinc/51/01/21/381510121.db2.gz JLSHAVMOZLMFEE-CQSZACIVSA-N 0 3 260.381 2.508 20 30 CFEDHN C=CCCC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000370917436 381514327 /nfs/dbraw/zinc/51/43/27/381514327.db2.gz NDPIHDHBXXZIBI-WBVHZDCISA-N 0 3 272.392 2.687 20 30 CFEDHN CC[C@@H](CN1CCC(Oc2cccc(C#N)c2)CC1)OC ZINC000412978441 381516011 /nfs/dbraw/zinc/51/60/11/381516011.db2.gz QFIMTJMXGXTMDR-HNNXBMFYSA-N 0 3 288.391 2.826 20 30 CFEDHN C=CCCN(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000342717382 381495413 /nfs/dbraw/zinc/49/54/13/381495413.db2.gz FNVYFBHPKBESKW-CABCVRRESA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359601987 381500056 /nfs/dbraw/zinc/50/00/56/381500056.db2.gz PIVXKWDQLCUPPD-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN Cc1ccc([C@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000290618011 381500180 /nfs/dbraw/zinc/50/01/80/381500180.db2.gz LDJJJYPVHMJXLT-KRWDZBQOSA-N 0 3 280.375 2.977 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(C#N)c(OC)c2)C1 ZINC000290618820 381502375 /nfs/dbraw/zinc/50/23/75/381502375.db2.gz XCRGVHWHJNYONI-UHFFFAOYSA-N 0 3 274.364 2.566 20 30 CFEDHN C=C(C)[C@H](CC(=O)N1CCCN(CC(C)C)CC1)OCC ZINC000371052824 381539496 /nfs/dbraw/zinc/53/94/96/381539496.db2.gz FFEOYLOLKYLVGR-INIZCTEOSA-N 0 3 296.455 2.548 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CN1C1CC1 ZINC000290760025 381540940 /nfs/dbraw/zinc/54/09/40/381540940.db2.gz JZBDDQITGICMPH-GXFFZTMASA-N 0 3 286.335 2.504 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(OC)c(O)c1 ZINC000290766197 381542594 /nfs/dbraw/zinc/54/25/94/381542594.db2.gz RWFHCPRYEPTULQ-GFCCVEGCSA-N 0 3 265.353 2.644 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCCCN1CC ZINC000359677087 381549233 /nfs/dbraw/zinc/54/92/33/381549233.db2.gz GDWYLXXHONBCRA-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCCC1(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000354984614 381551166 /nfs/dbraw/zinc/55/11/66/381551166.db2.gz WIBQYKCKGBRWNO-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@H](CC(F)(F)F)NCc1cnc2ccc(C#N)cn12 ZINC000342769844 381528548 /nfs/dbraw/zinc/52/85/48/381528548.db2.gz UJDOBOLVMDMDIX-SECBINFHSA-N 0 3 282.269 2.636 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1cc(C#N)ccc1C ZINC000355043373 381579576 /nfs/dbraw/zinc/57/95/76/381579576.db2.gz WUDQPMKUNZOIJU-UHFFFAOYSA-N 0 3 288.395 2.720 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1cccc(-n2ccnn2)c1 ZINC000414171008 381567314 /nfs/dbraw/zinc/56/73/14/381567314.db2.gz UEUNYDVQUMRKEN-ZDUSSCGKSA-N 0 3 283.379 2.858 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000414226123 381571100 /nfs/dbraw/zinc/57/11/00/381571100.db2.gz SWTLTNRUXYNLBX-WNOSKKOXSA-N 0 3 270.376 2.971 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348521166 381606618 /nfs/dbraw/zinc/60/66/18/381606618.db2.gz NQGMJVITELBXCN-TZMCWYRMSA-N 0 3 296.317 2.817 20 30 CFEDHN CN(C)Cc1ccc(NCc2cc(C#N)n(C)c2)c(F)c1 ZINC000414494981 381588566 /nfs/dbraw/zinc/58/85/66/381588566.db2.gz GIPRENSESQJFBY-UHFFFAOYSA-N 0 3 286.354 2.710 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1c(C)nnn1CC ZINC000414540701 381593388 /nfs/dbraw/zinc/59/33/88/381593388.db2.gz UVIJDAXNKKZOEF-INIZCTEOSA-N 0 3 284.407 2.883 20 30 CFEDHN CCN(CCC1CC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000355066806 381593440 /nfs/dbraw/zinc/59/34/40/381593440.db2.gz VUEJIMKXABMQSK-QGZVFWFLSA-N 0 3 297.402 2.786 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1n[nH]cc1C ZINC000414536624 381593881 /nfs/dbraw/zinc/59/38/81/381593881.db2.gz NKCHQZKPQIXKSM-OAHLLOKOSA-N 0 3 255.365 2.995 20 30 CFEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348504862 381597531 /nfs/dbraw/zinc/59/75/31/381597531.db2.gz CUBUJASFDWHZJY-KCXAZCMYSA-N 0 3 281.359 2.545 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348537385 381616952 /nfs/dbraw/zinc/61/69/52/381616952.db2.gz SUSYUUXVOKPLIZ-STQMWFEESA-N 0 3 284.281 2.947 20 30 CFEDHN N#Cc1ncn(CCNCc2ccc(C3CCCC3)cc2)n1 ZINC000290997688 381625119 /nfs/dbraw/zinc/62/51/19/381625119.db2.gz BAYPKMRPSIFLEX-UHFFFAOYSA-N 0 3 295.390 2.597 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000185521233 381656753 /nfs/dbraw/zinc/65/67/53/381656753.db2.gz QCQPEVXQWJXHCH-HNNXBMFYSA-N 0 3 286.419 2.673 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000371533719 381651281 /nfs/dbraw/zinc/65/12/81/381651281.db2.gz JEACEWSCMXDIRV-GJZGRUSLSA-N 0 3 266.429 2.900 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@@H]1SC ZINC000298587554 381681466 /nfs/dbraw/zinc/68/14/66/381681466.db2.gz YEWFCNGWYQJVSQ-KFWWJZLASA-N 0 3 276.405 2.557 20 30 CFEDHN C=CCCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000343407065 381691534 /nfs/dbraw/zinc/69/15/34/381691534.db2.gz WPJYLIPZMDYFLL-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)CC(C)(C)C ZINC000291184831 381697782 /nfs/dbraw/zinc/69/77/82/381697782.db2.gz IFIUHAYYBPNXSM-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN C=CCN1CCC(NC(=O)CC2CCC(C)CC2)CC1 ZINC000359955275 381699071 /nfs/dbraw/zinc/69/90/71/381699071.db2.gz ATBDQEAJPLPXGO-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCOc1ccccc1CN1CCC([C@H]2CCOC2)CC1 ZINC000371808963 381705404 /nfs/dbraw/zinc/70/54/04/381705404.db2.gz MBXLDOIUVAFAMK-SFHVURJKSA-N 0 3 299.414 2.947 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)s1)[C@@H]1CCOC1 ZINC000291305086 381742939 /nfs/dbraw/zinc/74/29/39/381742939.db2.gz RASPZFXWEJKNKA-LLVKDONJSA-N 0 3 250.367 2.619 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)C/C=C/C)cc1OC ZINC000185825077 381745679 /nfs/dbraw/zinc/74/56/79/381745679.db2.gz NASLFIJXBUWBBN-DRDHIDPGSA-N 0 3 291.391 2.677 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000185824374 381746073 /nfs/dbraw/zinc/74/60/73/381746073.db2.gz XJSDFXNGJIHWCB-YDHLFZDLSA-N 0 3 271.364 2.686 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000185838161 381751730 /nfs/dbraw/zinc/75/17/30/381751730.db2.gz CYZZCIJYETWMKG-WBVHZDCISA-N 0 3 298.430 2.815 20 30 CFEDHN CC[C@H](CNc1ncc(Cl)c(C)c1C#N)N1CCCC1 ZINC000343504129 381756337 /nfs/dbraw/zinc/75/63/37/381756337.db2.gz CBSQUGLUUWTDKX-GFCCVEGCSA-N 0 3 292.814 2.623 20 30 CFEDHN N#CCCCN1CCC2(CC1)OCc1ccccc12 ZINC000371942372 381723554 /nfs/dbraw/zinc/72/35/54/381723554.db2.gz KDZUAEMKMKAANL-UHFFFAOYSA-N 0 3 256.349 2.812 20 30 CFEDHN C[C@@H]1[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CCCN1C ZINC000343456888 381724497 /nfs/dbraw/zinc/72/44/97/381724497.db2.gz KCKZEZPSMUWZKD-KOLCDFICSA-N 0 3 298.312 2.867 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000355606988 381785743 /nfs/dbraw/zinc/78/57/43/381785743.db2.gz YUSMTZJJVMMULZ-ZIAGYGMSSA-N 0 3 293.411 2.974 20 30 CFEDHN CC/C=C/CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292180410 381792928 /nfs/dbraw/zinc/79/29/28/381792928.db2.gz MKEAKGPZRQWKQW-BWPKMQGJSA-N 0 3 271.364 2.763 20 30 CFEDHN CC(C)CN(CCN(C)C)Cc1ccc(C#N)s1 ZINC000348924926 381768102 /nfs/dbraw/zinc/76/81/02/381768102.db2.gz WSMLUZHPBWDRMF-UHFFFAOYSA-N 0 3 265.426 2.639 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000360148187 381768379 /nfs/dbraw/zinc/76/83/79/381768379.db2.gz LCYPDNVVICYOFF-HUUCEWRRSA-N 0 3 292.423 2.731 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000360148185 381768641 /nfs/dbraw/zinc/76/86/41/381768641.db2.gz LCYPDNVVICYOFF-CABCVRRESA-N 0 3 292.423 2.731 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)[C@@H](CO)c1ccccc1 ZINC000343529084 381777681 /nfs/dbraw/zinc/77/76/81/381777681.db2.gz LXAYVAJLLCXFHN-SFHVURJKSA-N 0 3 280.371 2.918 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H]2CCCOC2)cc1 ZINC000355743977 381800951 /nfs/dbraw/zinc/80/09/51/381800951.db2.gz NYQNOTVJLORLAV-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000361552834 381845011 /nfs/dbraw/zinc/84/50/11/381845011.db2.gz NDYFZTSAROSGII-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN C#CCN(CC)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000299151584 381845004 /nfs/dbraw/zinc/84/50/04/381845004.db2.gz FPPJVIVMFNZGOD-CZUORRHYSA-N 0 3 295.810 2.734 20 30 CFEDHN COCCOc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000361465983 381834763 /nfs/dbraw/zinc/83/47/63/381834763.db2.gz YNXHYBGTSDJWRQ-HOCLYGCPSA-N 0 3 288.391 2.884 20 30 CFEDHN Cc1cc(CN(C(C)C)[C@H]2CCOC2)ccc1C#N ZINC000361069136 381801529 /nfs/dbraw/zinc/80/15/29/381801529.db2.gz XOVCOUAFERRHFO-INIZCTEOSA-N 0 3 258.365 2.866 20 30 CFEDHN C=CCN(CC(=C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343567806 381803621 /nfs/dbraw/zinc/80/36/21/381803621.db2.gz MUEHRBRBKPDEHW-CQSZACIVSA-N 0 3 283.379 2.787 20 30 CFEDHN N#Cc1cc(N2CC[C@@H](N3CC=CC3)C2)nc2ccccc12 ZINC000361118996 381803752 /nfs/dbraw/zinc/80/37/52/381803752.db2.gz YWPRIFMCSMRCCL-OAHLLOKOSA-N 0 3 290.370 2.557 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355781766 381804505 /nfs/dbraw/zinc/80/45/05/381804505.db2.gz KZOHLRSDGRXMDV-RBSFLKMASA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCN(CCCC#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343570861 381806095 /nfs/dbraw/zinc/80/60/95/381806095.db2.gz ATZWYQJGUOMWOR-AWEZNQCLSA-N 0 3 296.378 2.515 20 30 CFEDHN CCN(Cc1ccc(C(=O)N2CC(C)(C#N)C2)cc1)C1CC1 ZINC000361230816 381810530 /nfs/dbraw/zinc/81/05/30/381810530.db2.gz QMZYHGNJZBAVDF-UHFFFAOYSA-N 0 3 297.402 2.657 20 30 CFEDHN C=CCN(C(=O)C[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000416198198 381881730 /nfs/dbraw/zinc/88/17/30/381881730.db2.gz YVIAKUORCOGCCN-INIZCTEOSA-N 0 3 272.392 2.856 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000416253905 381884023 /nfs/dbraw/zinc/88/40/23/381884023.db2.gz TYCGIAKOFBLIHI-QWHCGFSZSA-N 0 3 294.395 2.649 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC1CC1)CC1CCC1 ZINC000361571267 381846328 /nfs/dbraw/zinc/84/63/28/381846328.db2.gz JGFNCRSNLFSMMM-UHFFFAOYSA-N 0 3 276.424 2.699 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H](O)C23CCCC3)c1 ZINC000292831369 381855315 /nfs/dbraw/zinc/85/53/15/381855315.db2.gz UEXBNVOSWBKSGH-OAHLLOKOSA-N 0 3 274.339 2.577 20 30 CFEDHN C#CCCN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000299238954 381868428 /nfs/dbraw/zinc/86/84/28/381868428.db2.gz UJIQVHALUKVKIH-OAHLLOKOSA-N 0 3 259.349 2.864 20 30 CFEDHN Clc1cccc(C#CCN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000372796552 381869982 /nfs/dbraw/zinc/86/99/82/381869982.db2.gz CFBZLYJUNSSKRC-HZPDHXFCSA-N 0 3 275.779 2.849 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1cccc(CNC)c1 ZINC000415959710 381871348 /nfs/dbraw/zinc/87/13/48/381871348.db2.gz MZADJKFSSYZFBX-ZDUSSCGKSA-N 0 3 261.369 2.882 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCC[C@H](N2CCCCC2)C1 ZINC000372803692 381872351 /nfs/dbraw/zinc/87/23/51/381872351.db2.gz LEADABWUKPIGDU-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416005964 381873561 /nfs/dbraw/zinc/87/35/61/381873561.db2.gz JEGBZBVNFHZTIZ-ZDUSSCGKSA-N 0 3 259.353 2.766 20 30 CFEDHN Cc1ncccc1O[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000372814030 381874154 /nfs/dbraw/zinc/87/41/54/381874154.db2.gz IHJIJNRCUXZNRG-QGZVFWFLSA-N 0 3 293.370 2.915 20 30 CFEDHN C=CCOCCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000292867208 381874743 /nfs/dbraw/zinc/87/47/43/381874743.db2.gz SCNKECWIKVCDPA-KGLIPLIRSA-N 0 3 281.421 2.839 20 30 CFEDHN C/C=C\C[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000349378667 381916354 /nfs/dbraw/zinc/91/63/54/381916354.db2.gz MASKHUCTYSCHHG-CWBMUHOVSA-N 0 3 262.328 2.675 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@H](O)COC(C)C ZINC000299376950 381916339 /nfs/dbraw/zinc/91/63/39/381916339.db2.gz OMSAJLSHCQICAF-KRWDZBQOSA-N 0 3 277.408 2.503 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000362147288 381928930 /nfs/dbraw/zinc/92/89/30/381928930.db2.gz QALUBEOWDNUIIP-SOUVJXGZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000343835396 381971785 /nfs/dbraw/zinc/97/17/85/381971785.db2.gz IQKJMVCQYSISMY-HIFRSBDPSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@H]1CC[C@@H](C)C1 ZINC000362156766 381933682 /nfs/dbraw/zinc/93/36/82/381933682.db2.gz NXUMCMHOFYWBPC-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000343772701 381935272 /nfs/dbraw/zinc/93/52/72/381935272.db2.gz WYUMODQDIGQSIA-CABCVRRESA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000343779251 381936665 /nfs/dbraw/zinc/93/66/65/381936665.db2.gz ZLOVFQZIMWPCRP-XUXIUFHCSA-N 0 3 252.402 2.719 20 30 CFEDHN CC#CCCN1CCC(c2noc(C(F)F)n2)CC1 ZINC000373290598 381972248 /nfs/dbraw/zinc/97/22/48/381972248.db2.gz ITBZCDUYRWXXEY-UHFFFAOYSA-N 0 3 269.295 2.600 20 30 CFEDHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000373223789 381953761 /nfs/dbraw/zinc/95/37/61/381953761.db2.gz LFCAKSITZIATTI-UGQVUOCMSA-N 0 3 289.379 2.621 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CC1)OCCCO2 ZINC000293152659 382009825 /nfs/dbraw/zinc/00/98/25/382009825.db2.gz UYMHTLQIEZKTIJ-AWEZNQCLSA-N 0 3 286.375 2.848 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000362275678 381987337 /nfs/dbraw/zinc/98/73/37/381987337.db2.gz AAOUGAWLUSKWQA-DOTOQJQBSA-N 0 3 288.435 2.878 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000349822964 381992315 /nfs/dbraw/zinc/99/23/15/381992315.db2.gz RFGMLMKMUSQHBZ-ZYHUDNBSSA-N 0 3 292.766 2.893 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000349827332 381992558 /nfs/dbraw/zinc/99/25/58/381992558.db2.gz JCBAPCXMTWKESO-LSDHHAIUSA-N 0 3 266.348 2.654 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000349827329 381993099 /nfs/dbraw/zinc/99/30/99/381993099.db2.gz JCBAPCXMTWKESO-CABCVRRESA-N 0 3 266.348 2.654 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000351509497 382042267 /nfs/dbraw/zinc/04/22/67/382042267.db2.gz AXXJSUPLKJYVDT-PWSUYJOCSA-N 0 3 284.281 2.826 20 30 CFEDHN C=CC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000351583404 382047180 /nfs/dbraw/zinc/04/71/80/382047180.db2.gz PJHHESLUZGDYIB-UHFFFAOYSA-N 0 3 255.312 2.546 20 30 CFEDHN C=CCSc1ccccc1C(=O)N(C)CCN(C)C ZINC000362397878 382050075 /nfs/dbraw/zinc/05/00/75/382050075.db2.gz TVNHUBCDFBRIST-UHFFFAOYSA-N 0 3 278.421 2.598 20 30 CFEDHN C=CCCCCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000351662095 382053051 /nfs/dbraw/zinc/05/30/51/382053051.db2.gz OAGHWTQEVNLQGM-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN CC#CCN[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000374773237 382056429 /nfs/dbraw/zinc/05/64/29/382056429.db2.gz BUZALYVNJUNHII-ZWKOTPCHSA-N 0 3 284.403 2.586 20 30 CFEDHN CC#CCN[C@H](c1ccc(OC)cc1)C1CCOCC1 ZINC000374977859 382063520 /nfs/dbraw/zinc/06/35/20/382063520.db2.gz IRQNHNZMJGQATE-QGZVFWFLSA-N 0 3 273.376 2.776 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000351850954 382065354 /nfs/dbraw/zinc/06/53/54/382065354.db2.gz IECIQHXMJNUGBO-UHFFFAOYSA-N 0 3 272.392 2.801 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000362371298 382031131 /nfs/dbraw/zinc/03/11/31/382031131.db2.gz QJXXYXPAOVVPCH-GOEBONIOSA-N 0 3 289.423 2.943 20 30 CFEDHN C[C@@H]1C[C@H]1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000351472496 382039828 /nfs/dbraw/zinc/03/98/28/382039828.db2.gz PAHYPBVGRMUXQY-HYVNUMGLSA-N 0 3 269.392 2.525 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H](CCOC)C1 ZINC000375807275 382103694 /nfs/dbraw/zinc/10/36/94/382103694.db2.gz BNDCIGZIYKGPDU-INIZCTEOSA-N 0 3 296.455 2.550 20 30 CFEDHN C=CCC(CC=C)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000375873058 382109729 /nfs/dbraw/zinc/10/97/29/382109729.db2.gz MLCAZKXOWBRCNG-HOCLYGCPSA-N 0 3 276.424 2.840 20 30 CFEDHN C=CCOc1ccc(CNCC2(C(=O)OCC)CC2)cc1 ZINC000351931817 382074226 /nfs/dbraw/zinc/07/42/26/382074226.db2.gz OSZHEWVXADNEEB-UHFFFAOYSA-N 0 3 289.375 2.684 20 30 CFEDHN C=C(Cl)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000375426427 382085734 /nfs/dbraw/zinc/08/57/34/382085734.db2.gz PCPYJZWDEBJCJX-ZDUSSCGKSA-N 0 3 270.804 2.652 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000362489121 382097080 /nfs/dbraw/zinc/09/70/80/382097080.db2.gz TXIYVMZPKZYOBR-ZDUSSCGKSA-N 0 3 271.339 2.994 20 30 CFEDHN CC1CCC(N2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000301555609 382175729 /nfs/dbraw/zinc/17/57/29/382175729.db2.gz ZQHMFVYRZCLGGU-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN N#Cc1csc(CN(CCO)CC2CCCCC2)c1 ZINC000362529232 382130016 /nfs/dbraw/zinc/13/00/16/382130016.db2.gz QLNJQHFEKZUVEF-UHFFFAOYSA-N 0 3 278.421 2.994 20 30 CFEDHN C=CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)CCC1 ZINC000376451523 382136262 /nfs/dbraw/zinc/13/62/62/382136262.db2.gz WEBSAXQPNHJCST-HUUCEWRRSA-N 0 3 276.424 2.818 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC2(CO)CCCC2)C1 ZINC000376514087 382139810 /nfs/dbraw/zinc/13/98/10/382139810.db2.gz WJEOEDKAYORWDE-UHFFFAOYSA-N 0 3 270.376 2.505 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000301291718 382140756 /nfs/dbraw/zinc/14/07/56/382140756.db2.gz WYJUVHGRLPZSED-CQSZACIVSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C(C)CCN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000352043298 382146277 /nfs/dbraw/zinc/14/62/77/382146277.db2.gz BYXRSOXXIYFWEA-HUUCEWRRSA-N 0 3 252.402 2.674 20 30 CFEDHN CC#CCN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000352073765 382160693 /nfs/dbraw/zinc/16/06/93/382160693.db2.gz IXTJCMUBWWVHCO-LSDHHAIUSA-N 0 3 262.784 2.698 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)Cc1ccc(F)cc1 ZINC000293549290 382169625 /nfs/dbraw/zinc/16/96/25/382169625.db2.gz RBGWKRRZQZYXFK-GOSISDBHSA-N 0 3 298.361 2.733 20 30 CFEDHN CCCN(C)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352206389 382226911 /nfs/dbraw/zinc/22/69/11/382226911.db2.gz MPOYLMXJDXSPPP-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN CN1CCC[C@H]2CN(c3snc(Cl)c3C#N)CC[C@H]21 ZINC000301709790 382188150 /nfs/dbraw/zinc/18/81/50/382188150.db2.gz JUMILPQDKNFUNB-GXSJLCMTSA-N 0 3 296.827 2.589 20 30 CFEDHN Cc1ccc(NCCN2CCCC[C@@H]2C)nc1C#N ZINC000302600521 382275651 /nfs/dbraw/zinc/27/56/51/382275651.db2.gz BZQMNOLSRRORDP-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000345115822 382285711 /nfs/dbraw/zinc/28/57/11/382285711.db2.gz UOVMFQZSQBEIHU-ILXRZTDVSA-N 0 3 299.418 2.719 20 30 CFEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000345133725 382287020 /nfs/dbraw/zinc/28/70/20/382287020.db2.gz KSWARGUDKVFKAP-CQSZACIVSA-N 0 3 276.336 2.619 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1cccc(Cl)c1 ZINC000293701409 382240001 /nfs/dbraw/zinc/24/00/01/382240001.db2.gz CUJQERXUKJWTKS-LLVKDONJSA-N 0 3 252.745 2.921 20 30 CFEDHN CCCNC(=O)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666774 382240345 /nfs/dbraw/zinc/24/03/45/382240345.db2.gz SFTVMKLEWIFNQZ-YOEHRIQHSA-N 0 3 299.418 2.857 20 30 CFEDHN C[C@H](O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187671763 382240742 /nfs/dbraw/zinc/24/07/42/382240742.db2.gz RUSDVUHNRWLOLY-STQMWFEESA-N 0 3 258.365 2.712 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2cccc(C)n2)CC1 ZINC000363716614 382243063 /nfs/dbraw/zinc/24/30/63/382243063.db2.gz YFSADZHRACYWMS-HNNXBMFYSA-N 0 3 290.407 2.560 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000363740134 382244889 /nfs/dbraw/zinc/24/48/89/382244889.db2.gz WAFIEUASLBHUNU-BZSNNMDCSA-N 0 3 298.430 2.899 20 30 CFEDHN Cc1nn(C)cc1[C@H]1CCCN1CCCSCC#N ZINC000363928051 382250789 /nfs/dbraw/zinc/25/07/89/382250789.db2.gz YFAFGBPCDSSLKY-CQSZACIVSA-N 0 3 278.425 2.512 20 30 CFEDHN C=C(C)CCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000419227931 382251855 /nfs/dbraw/zinc/25/18/55/382251855.db2.gz UBKJYSQJRLJTKV-GFCCVEGCSA-N 0 3 297.196 2.531 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCC1CC1 ZINC000187708715 382252980 /nfs/dbraw/zinc/25/29/80/382252980.db2.gz ZWHUILOXKCKSBI-ZDUSSCGKSA-N 0 3 258.365 2.978 20 30 CFEDHN CCN1C[C@@H](C)N(c2cccc(F)c2C#N)C[C@H]1C ZINC000345177603 382290653 /nfs/dbraw/zinc/29/06/53/382290653.db2.gz VLALZBHMOKQLGL-VXGBXAGGSA-N 0 3 261.344 2.616 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419247787 382259596 /nfs/dbraw/zinc/25/95/96/382259596.db2.gz XFKTXFVZRQJFFA-HYVNUMGLSA-N 0 3 299.418 2.891 20 30 CFEDHN C=CCC[C@H](C)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293748007 382261394 /nfs/dbraw/zinc/26/13/94/382261394.db2.gz REHDKYIAUXLAEC-ZDUSSCGKSA-N 0 3 274.412 2.830 20 30 CFEDHN CC(C#N)C(=O)NCCCc1ccc(Cl)cc1 ZINC000345781525 382312861 /nfs/dbraw/zinc/31/28/61/382312861.db2.gz AIHPLHJSSYDTSB-JTQLQIEISA-N 0 3 250.729 2.548 20 30 CFEDHN CC(C#N)C(=O)NCCCc1ccc(Cl)cc1 ZINC000345781530 382313004 /nfs/dbraw/zinc/31/30/04/382313004.db2.gz AIHPLHJSSYDTSB-SNVBAGLBSA-N 0 3 250.729 2.548 20 30 CFEDHN C=CCN1CCC(NC(=O)CC(C)(C)CCC)CC1 ZINC000345922895 382322288 /nfs/dbraw/zinc/32/22/88/382322288.db2.gz FQCCAFPZAVWVND-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(-n2ccnn2)cc1 ZINC000345948869 382324141 /nfs/dbraw/zinc/32/41/41/382324141.db2.gz IQHGWUDQJTYMBZ-ZDUSSCGKSA-N 0 3 283.379 2.858 20 30 CFEDHN CC(C#N)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000357791210 382324181 /nfs/dbraw/zinc/32/41/81/382324181.db2.gz LCPVGCCYWIQXCI-QMMMGPOBSA-N 0 3 271.147 2.812 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000346025560 382328423 /nfs/dbraw/zinc/32/84/23/382328423.db2.gz YRDPNTNHRYRKHB-GHMZBOCLSA-N 0 3 290.338 2.951 20 30 CFEDHN C=CCOCCCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352431411 382329888 /nfs/dbraw/zinc/32/98/88/382329888.db2.gz LDLWTEHPSCXQKV-CABCVRRESA-N 0 3 265.397 2.613 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352445023 382335421 /nfs/dbraw/zinc/33/54/21/382335421.db2.gz JGEQHWNHZANVOJ-IJEWVQPXSA-N 0 3 266.429 2.968 20 30 CFEDHN CC(C#N)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000346204881 382336417 /nfs/dbraw/zinc/33/64/17/382336417.db2.gz CBQDZYWKLJCBLW-DYEKYZERSA-N 0 3 274.389 2.851 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000293916918 382336667 /nfs/dbraw/zinc/33/66/67/382336667.db2.gz GNBMSFGKSFMTBZ-LLVKDONJSA-N 0 3 298.839 2.576 20 30 CFEDHN CCOc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000357826916 382338547 /nfs/dbraw/zinc/33/85/47/382338547.db2.gz MMRYXMHMLRUFNI-WFASDCNBSA-N 0 3 272.348 2.908 20 30 CFEDHN CC(C)N1C[C@H](C)[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000302869931 382338713 /nfs/dbraw/zinc/33/87/13/382338713.db2.gz BDHGBSAYGKCXMD-SWLSCSKDSA-N 0 3 268.364 2.571 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364631904 382342887 /nfs/dbraw/zinc/34/28/87/382342887.db2.gz PWIYKMXVTMGKQO-FVQBIDKESA-N 0 3 288.366 2.943 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](O)CC2)cc1OC ZINC000293824567 382294651 /nfs/dbraw/zinc/29/46/51/382294651.db2.gz AHDQEGHDDGXNTO-OAHLLOKOSA-N 0 3 291.391 2.607 20 30 CFEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC000365264640 382368536 /nfs/dbraw/zinc/36/85/36/382368536.db2.gz VYNGYFLDHJQSDO-CZUORRHYSA-N 0 3 257.381 2.909 20 30 CFEDHN Cn1ccnc1[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000365641002 382428768 /nfs/dbraw/zinc/42/87/68/382428768.db2.gz UCDUFRBDSZVULD-AWEZNQCLSA-N 0 3 298.365 2.810 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294136604 382429441 /nfs/dbraw/zinc/42/94/41/382429441.db2.gz MPUDCNXSXZKABL-QGZVFWFLSA-N 0 3 276.424 2.699 20 30 CFEDHN COc1cc(CN2CC[C@H](SC)C2)ccc1C#N ZINC000294155306 382437457 /nfs/dbraw/zinc/43/74/57/382437457.db2.gz AHYBJHQHRXYXET-ZDUSSCGKSA-N 0 3 262.378 2.504 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1cncc(C#N)n1)N(C)C ZINC000420636272 382438264 /nfs/dbraw/zinc/43/82/64/382438264.db2.gz MDPAXCDMANJQFJ-DYVFJYSZSA-N 0 3 295.390 2.760 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H](O)CC(F)(F)F ZINC000346627435 382444129 /nfs/dbraw/zinc/44/41/29/382444129.db2.gz YDYSSJJGXXUKFQ-NSHDSACASA-N 0 3 277.286 2.623 20 30 CFEDHN CCN1CCN(CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000352670108 382444762 /nfs/dbraw/zinc/44/47/62/382444762.db2.gz CXFRLZKZXUNRJO-AWEZNQCLSA-N 0 3 276.811 2.718 20 30 CFEDHN C#CCNC(=N)Nc1cccc(Oc2ccccc2)c1 ZINC000304482937 382410301 /nfs/dbraw/zinc/41/03/01/382410301.db2.gz KGHDHWLCXJNKSV-UHFFFAOYSA-N 0 3 265.316 2.839 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000346557394 382412223 /nfs/dbraw/zinc/41/22/23/382412223.db2.gz SJZHSQGDURKUSJ-UONOGXRCSA-N 0 3 296.480 2.627 20 30 CFEDHN CCN1CCc2c(cccc2NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000378172643 382412828 /nfs/dbraw/zinc/41/28/28/382412828.db2.gz IPHXYSKWBLZPJE-UHFFFAOYSA-N 0 3 294.358 2.517 20 30 CFEDHN COc1ccc(CNCCC(C)(F)F)cc1C#N ZINC000294113765 382421091 /nfs/dbraw/zinc/42/10/91/382421091.db2.gz DDKUEDYGGFHTQC-UHFFFAOYSA-N 0 3 254.280 2.702 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000365850217 382453881 /nfs/dbraw/zinc/45/38/81/382453881.db2.gz WDPLGYYQMLPHAS-ZBFHGGJFSA-N 0 3 296.374 2.621 20 30 CFEDHN N#Cc1ccc(CN2CCC23CCC(CO)CC3)cc1 ZINC000378446805 382462887 /nfs/dbraw/zinc/46/28/87/382462887.db2.gz CMFBRHLEFOKOBC-UHFFFAOYSA-N 0 3 270.376 2.685 20 30 CFEDHN CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)CC(C)(C)C#N ZINC000365993174 382469591 /nfs/dbraw/zinc/46/95/91/382469591.db2.gz ZRBXPWPKMVDULF-RDJZCZTQSA-N 0 3 299.418 2.660 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CC)CC1 ZINC000358188830 382495471 /nfs/dbraw/zinc/49/54/71/382495471.db2.gz MGNIWQDDGBYPCW-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCOC1 ZINC000352901812 382481659 /nfs/dbraw/zinc/48/16/59/382481659.db2.gz LCCQLGNUJYTCDG-OAHLLOKOSA-N 0 3 277.412 2.879 20 30 CFEDHN CC(C)(CN1CCCC1)NCc1cccc(C#N)c1F ZINC000308633928 382482631 /nfs/dbraw/zinc/48/26/31/382482631.db2.gz XGDOXYZMPCSOCL-UHFFFAOYSA-N 0 3 275.371 2.661 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[C@H]21 ZINC000353043574 382490773 /nfs/dbraw/zinc/49/07/73/382490773.db2.gz ZPDCXGLFADMAFH-GVDBMIGSSA-N 0 3 287.403 2.639 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCCN2C2CC2)cc1F ZINC000421401729 382520074 /nfs/dbraw/zinc/52/00/74/382520074.db2.gz VUTFXRWPLGRKAI-MRXNPFEDSA-N 0 3 287.382 2.804 20 30 CFEDHN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCCC#N ZINC000420924715 382498585 /nfs/dbraw/zinc/49/85/85/382498585.db2.gz KILZGURPGMESEJ-CHWSQXEVSA-N 0 3 266.385 2.732 20 30 CFEDHN C=C(C)[C@H](NC[C@H](O)CSC)c1ccc(F)c(F)c1 ZINC000188891120 382499601 /nfs/dbraw/zinc/49/96/01/382499601.db2.gz ISJDLZKPBURZPE-FZMZJTMJSA-N 0 3 287.375 2.896 20 30 CFEDHN C=C(C)CN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421024339 382507714 /nfs/dbraw/zinc/50/77/14/382507714.db2.gz PZBXKQFJDFTBEY-QWHCGFSZSA-N 0 3 253.386 2.862 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)C[C@H](CO)C2)cc1 ZINC000421362042 382513132 /nfs/dbraw/zinc/51/31/32/382513132.db2.gz MFCFFIHCTDFGQJ-HOCLYGCPSA-N 0 3 275.392 2.702 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346802992 382518819 /nfs/dbraw/zinc/51/88/19/382518819.db2.gz VHQKUWWYKPYISX-LLVKDONJSA-N 0 3 271.364 2.871 20 30 CFEDHN N#CC(C(=O)c1cncnc1)c1ccc2ccccc2n1 ZINC000680648829 542347714 /nfs/dbraw/zinc/34/77/14/542347714.db2.gz JLSFMDKYGDULBA-ZDUSSCGKSA-N 0 3 274.283 2.515 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@]23CCOC3)cc1 ZINC000367041397 382556761 /nfs/dbraw/zinc/55/67/61/382556761.db2.gz VRJWLQBKAFEWQP-RHSMWYFYSA-N 0 3 286.375 2.732 20 30 CFEDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000328646995 382559490 /nfs/dbraw/zinc/55/94/90/382559490.db2.gz HDAKJQBCKCPVQK-NXEZZACHSA-N 0 3 279.409 2.998 20 30 CFEDHN C[C@@H](Cc1cnn(C)c1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346893614 382562201 /nfs/dbraw/zinc/56/22/01/382562201.db2.gz XOSQBBWQZLXSPA-RYUDHWBXSA-N 0 3 286.354 2.713 20 30 CFEDHN C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)CCN(C2CC2)C1 ZINC000295010489 382562341 /nfs/dbraw/zinc/56/23/41/382562341.db2.gz STYJCSJJHBZITH-NSHDSACASA-N 0 3 290.798 2.527 20 30 CFEDHN C[C@H]1CN(c2ccc(Cl)c(C#N)n2)CCN(C2CC2)C1 ZINC000295010485 382562778 /nfs/dbraw/zinc/56/27/78/382562778.db2.gz STYJCSJJHBZITH-LLVKDONJSA-N 0 3 290.798 2.527 20 30 CFEDHN CSC1(CN2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000367318361 382564685 /nfs/dbraw/zinc/56/46/85/382564685.db2.gz QIWROATYMVVJLB-UHFFFAOYSA-N 0 3 287.432 2.834 20 30 CFEDHN C#CCN(C)CCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000295092735 382574264 /nfs/dbraw/zinc/57/42/64/382574264.db2.gz UYULPXZHFCUZRK-MRXNPFEDSA-N 0 3 290.382 2.584 20 30 CFEDHN CO[C@H]1CN(CCCOc2cccc(C#N)c2)CC[C@H]1C ZINC000189252665 382575037 /nfs/dbraw/zinc/57/50/37/382575037.db2.gz FFDCPBCIOATPIH-PBHICJAKSA-N 0 3 288.391 2.684 20 30 CFEDHN CC(C)[C@@H](C(=O)N(C)CC(C)(C)C#N)N1CCCCC1 ZINC000353220958 382529793 /nfs/dbraw/zinc/52/97/93/382529793.db2.gz WKUOZNQLVLSCLR-AWEZNQCLSA-N 0 3 279.428 2.505 20 30 CFEDHN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353259301 382531032 /nfs/dbraw/zinc/53/10/32/382531032.db2.gz DXTYWDKSQDGMBM-HOTGVXAUSA-N 0 3 258.365 2.806 20 30 CFEDHN CC(C)(C[C@@H]1CCCN(Cc2cccc(C#N)c2)C1)C(N)=O ZINC000294826724 382532424 /nfs/dbraw/zinc/53/24/24/382532424.db2.gz PNJRJGBGCQDACT-INIZCTEOSA-N 0 3 299.418 2.672 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000353294813 382534671 /nfs/dbraw/zinc/53/46/71/382534671.db2.gz NCERAEXXNBNXDY-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN COC[C@@H](CC(C)C)NCc1ccc(C#N)c(OC)c1 ZINC000353631145 382585793 /nfs/dbraw/zinc/58/57/93/382585793.db2.gz PDLZMQBYGYWPKK-OAHLLOKOSA-N 0 3 276.380 2.718 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000358362329 382587437 /nfs/dbraw/zinc/58/74/37/382587437.db2.gz BZTLTAQPAYBXBW-WBVHZDCISA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCCCN(C)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000346961152 382587850 /nfs/dbraw/zinc/58/78/50/382587850.db2.gz SZGPYTJRUNPUGN-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)c(OC)c1)C1CCCC1 ZINC000353657319 382597047 /nfs/dbraw/zinc/59/70/47/382597047.db2.gz JCAUVJLHRGOCEG-MRXNPFEDSA-N 0 3 288.391 2.862 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)C2CCCCC2)c(F)c1 ZINC000395210688 382629925 /nfs/dbraw/zinc/62/99/25/382629925.db2.gz PYSZOGJXRQPUMB-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1COC(C)(C)C1 ZINC000396663243 382631492 /nfs/dbraw/zinc/63/14/92/382631492.db2.gz PTGOEDBGAMHYBG-CQSZACIVSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(C)(O)CN(CC#Cc1cccc(Cl)c1)C1CC1 ZINC000189992793 382648764 /nfs/dbraw/zinc/64/87/64/382648764.db2.gz MPHFYLWYCRDJJQ-UHFFFAOYSA-N 0 3 277.795 2.927 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1CO ZINC000190870896 382683338 /nfs/dbraw/zinc/68/33/38/382683338.db2.gz NQWLFLRTDKXJEY-OCCSQVGLSA-N 0 3 297.320 2.617 20 30 CFEDHN Cc1ccc(OCCCNCc2cc(C#N)n(C)c2)cc1 ZINC000190919329 382685010 /nfs/dbraw/zinc/68/50/10/382685010.db2.gz JLSHDLOTOVZHHK-UHFFFAOYSA-N 0 3 283.375 2.764 20 30 CFEDHN Cc1oc(NC(=O)CN[C@H]2CCCC2(C)C)c(C#N)c1C ZINC000191290027 382697816 /nfs/dbraw/zinc/69/78/16/382697816.db2.gz DWNUCSMORXPDMU-ZDUSSCGKSA-N 0 3 289.379 2.875 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCCC2(C)C)c(C#N)c1C ZINC000191290027 382697817 /nfs/dbraw/zinc/69/78/17/382697817.db2.gz DWNUCSMORXPDMU-ZDUSSCGKSA-N 0 3 289.379 2.875 20 30 CFEDHN CC[C@H](O)CN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191406072 382699815 /nfs/dbraw/zinc/69/98/15/382699815.db2.gz DUVALIMGKWBGSC-SFHVURJKSA-N 0 3 297.402 2.670 20 30 CFEDHN CN(CCc1cccs1)Cc1cc(C#N)n(C)c1 ZINC000191405457 382699894 /nfs/dbraw/zinc/69/98/94/382699894.db2.gz SAWDJHSKGQBPME-UHFFFAOYSA-N 0 3 259.378 2.633 20 30 CFEDHN C#CCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000192161736 382705040 /nfs/dbraw/zinc/70/50/40/382705040.db2.gz ZIVWGDLZPCUECS-RDJZCZTQSA-N 0 3 284.403 2.569 20 30 CFEDHN OCC[C@H](NCC#Cc1ccccc1)C1CCCCC1 ZINC000192164475 382705043 /nfs/dbraw/zinc/70/50/43/382705043.db2.gz FINHWMWRFNYWNN-SFHVURJKSA-N 0 3 271.404 2.959 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000192161742 382705137 /nfs/dbraw/zinc/70/51/37/382705137.db2.gz ZIVWGDLZPCUECS-NVXWUHKLSA-N 0 3 284.403 2.569 20 30 CFEDHN C[C@@H](C1CC1)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192531886 382709944 /nfs/dbraw/zinc/70/99/44/382709944.db2.gz QAWSRJORXVFBSG-SUMWQHHRSA-N 0 3 297.402 2.784 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC1CCC1)C(C)C ZINC000193207572 382716946 /nfs/dbraw/zinc/71/69/46/382716946.db2.gz GFDAVLIQCWFNSC-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN COc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000193872275 382727677 /nfs/dbraw/zinc/72/76/77/382727677.db2.gz COEUJDQFHMGDIB-ACJLOTCBSA-N 0 3 296.370 2.951 20 30 CFEDHN CC(C)C[C@@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000337122018 382763342 /nfs/dbraw/zinc/76/33/42/382763342.db2.gz AYIBBRMAEBUTAL-OAHLLOKOSA-N 0 3 286.423 2.757 20 30 CFEDHN C=CCN1CC[C@H](N(Cc2ccccc2)CC(C)C)C1=O ZINC000337125762 382763995 /nfs/dbraw/zinc/76/39/95/382763995.db2.gz FKBHUZHZUWWTTP-KRWDZBQOSA-N 0 3 286.419 2.932 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2Cc2ccc(C)cc2)C1=O ZINC000337133470 382765314 /nfs/dbraw/zinc/76/53/14/382765314.db2.gz AXLXEEZFDLQWRO-QZTJIDSGSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCN1CC[C@@H](N(CCCCC)C(C)C)C1=O ZINC000337144257 382767389 /nfs/dbraw/zinc/76/73/89/382767389.db2.gz ZNHHQFMLUOQIKA-CQSZACIVSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@](C)(CCC)C2)C1=O ZINC000337167317 382770324 /nfs/dbraw/zinc/77/03/24/382770324.db2.gz CJLMOUJVGOVALD-GDBMZVCRSA-N 0 3 264.413 2.676 20 30 CFEDHN CC1(C)CN(CCCC2(C#N)CCOCC2)CC(C)(C)O1 ZINC000337183346 382772727 /nfs/dbraw/zinc/77/27/27/382772727.db2.gz BRXHPFICLOSMNB-UHFFFAOYSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC2CCC(C)CC2)C1=O ZINC000337186278 382773222 /nfs/dbraw/zinc/77/32/22/382773222.db2.gz OURNHAVDZUNKEA-YMAMQOFZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC2CCCCCC2)C1=O ZINC000337199671 382775391 /nfs/dbraw/zinc/77/53/91/382775391.db2.gz BAERYYRJSHKRAU-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@]2(C)Cc2ccccc2)C1=O ZINC000337203723 382776353 /nfs/dbraw/zinc/77/63/53/382776353.db2.gz ICINRYCXKYFYCB-HKUYNNGSSA-N 0 3 298.430 2.871 20 30 CFEDHN C=CCN1CC[C@@H](N2Cc3ccccc3C[C@@H]2CC)C1=O ZINC000337212758 382778502 /nfs/dbraw/zinc/77/85/02/382778502.db2.gz VTTSNNRZRCYXJY-DLBZAZTESA-N 0 3 284.403 2.610 20 30 CFEDHN C=CCN1CC[C@H](N2Cc3ccccc3C[C@@H]2CC)C1=O ZINC000337212760 382778684 /nfs/dbraw/zinc/77/86/84/382778684.db2.gz VTTSNNRZRCYXJY-IRXDYDNUSA-N 0 3 284.403 2.610 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCC[C@H](C)C2)C1=O ZINC000337232922 382781549 /nfs/dbraw/zinc/78/15/49/382781549.db2.gz VYPFCLPWJPKCJK-ZNMIVQPWSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)Cc2ccccc2C)C1=O ZINC000337249428 382785486 /nfs/dbraw/zinc/78/54/86/382785486.db2.gz QAUSIXKWVQTYTH-DOTOQJQBSA-N 0 3 286.419 2.645 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccsc1 ZINC000219095622 382792488 /nfs/dbraw/zinc/79/24/88/382792488.db2.gz MRQMCPRLBSQDCO-HNNXBMFYSA-N 0 3 287.384 2.583 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H]2C)CC1 ZINC000337005979 382751291 /nfs/dbraw/zinc/75/12/91/382751291.db2.gz AYKZQIUSEGFEFK-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@@]12CN(Cc3ccc(C#N)cn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000577073164 382846977 /nfs/dbraw/zinc/84/69/77/382846977.db2.gz LBXGPYDGGHKVIF-OHFALNGGSA-N 0 3 265.360 2.597 20 30 CFEDHN C=CCCc1ccccc1NC(=O)N1CCCN(C)CC1 ZINC000337607280 382847379 /nfs/dbraw/zinc/84/73/79/382847379.db2.gz QQFCUOPHFPWHQD-UHFFFAOYSA-N 0 3 287.407 2.975 20 30 CFEDHN COc1cc(CN[C@H]2CCC[C@@H]2OC(F)F)ccc1C#N ZINC000337314522 382799797 /nfs/dbraw/zinc/79/97/97/382799797.db2.gz WQUYPQGUSKVCAG-STQMWFEESA-N 0 3 296.317 2.817 20 30 CFEDHN CCC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000337334438 382804193 /nfs/dbraw/zinc/80/41/93/382804193.db2.gz KGTOXFITMWIMQT-OAHLLOKOSA-N 0 3 271.408 2.864 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000576180052 382813316 /nfs/dbraw/zinc/81/33/16/382813316.db2.gz MRJFZWIKBNOHIL-ZIAGYGMSSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337476917 382827868 /nfs/dbraw/zinc/82/78/68/382827868.db2.gz PGHYQYLGIRDIFP-UONOGXRCSA-N 0 3 277.412 2.833 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)C1CC1)C(C)C ZINC000337482180 382828655 /nfs/dbraw/zinc/82/86/55/382828655.db2.gz ZPMXYBRDMNZLSN-GOEBONIOSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000337505140 382833908 /nfs/dbraw/zinc/83/39/08/382833908.db2.gz YTLNVPYHXMAJTJ-GFCCVEGCSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN(CC)CC ZINC000337560204 382841949 /nfs/dbraw/zinc/84/19/49/382841949.db2.gz MLPDSNDGOVDNEV-UHFFFAOYSA-N 0 3 274.408 2.933 20 30 CFEDHN CC(C)Oc1cc(CN(C(=O)C(C)C#N)C2CC2)ccn1 ZINC000337569662 382843320 /nfs/dbraw/zinc/84/33/20/382843320.db2.gz QLSSXICTHSHCTA-LBPRGKRZSA-N 0 3 287.363 2.519 20 30 CFEDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CCCC#N ZINC000493988398 382907849 /nfs/dbraw/zinc/90/78/49/382907849.db2.gz HKCPUHDDDOHNPF-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN CCOC[C@H](NCc1ccc(C#N)c(OC)c1)C(C)C ZINC000233778183 382872108 /nfs/dbraw/zinc/87/21/08/382872108.db2.gz WOFKFUYHYHBZIH-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN COc1cc(CNC[C@@H]2CSCCS2)ccc1C#N ZINC000234918714 382875337 /nfs/dbraw/zinc/87/53/37/382875337.db2.gz LMPJZQPTQICAOX-CYBMUJFWSA-N 0 3 294.445 2.505 20 30 CFEDHN COc1cc(CN2C[C@@H]3CCC[C@H]3C2)ccc1C#N ZINC000235004126 382876490 /nfs/dbraw/zinc/87/64/90/382876490.db2.gz AXCYJUPDAVBDHS-GJZGRUSLSA-N 0 3 256.349 2.799 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1nc(Cl)c(C#N)s1 ZINC000235465299 382881870 /nfs/dbraw/zinc/88/18/70/382881870.db2.gz IDTGXBDAAHGOIT-SECBINFHSA-N 0 3 284.816 2.954 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000337964329 382881969 /nfs/dbraw/zinc/88/19/69/382881969.db2.gz KNKPAOISCGWDSY-UHFFFAOYSA-N 0 3 299.418 2.813 20 30 CFEDHN COc1cc(CNCCc2ccccc2O)ccc1C#N ZINC000440827365 382886792 /nfs/dbraw/zinc/88/67/92/382886792.db2.gz XZQYUVXHTWBUKA-UHFFFAOYSA-N 0 3 282.343 2.605 20 30 CFEDHN C[C@H](N(C)CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC000533250229 382889816 /nfs/dbraw/zinc/88/98/16/382889816.db2.gz JDPVDFAKBGZJQC-ZDUSSCGKSA-N 0 3 287.407 2.541 20 30 CFEDHN C=CCCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000578149549 382895413 /nfs/dbraw/zinc/89/54/13/382895413.db2.gz JGJSURJYSGPKCJ-RBSFLKMASA-N 0 3 253.386 2.611 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338012426 382901169 /nfs/dbraw/zinc/90/11/69/382901169.db2.gz QMWPWKJKYTYANR-MJBXVCDLSA-N 0 3 277.412 2.590 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493775735 382902562 /nfs/dbraw/zinc/90/25/62/382902562.db2.gz AOUMLJRKSLMXQD-OLZOCXBDSA-N 0 3 268.401 2.798 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000442713427 382947794 /nfs/dbraw/zinc/94/77/94/382947794.db2.gz WPMHJZFBWKFNET-IRXDYDNUSA-N 0 3 297.402 2.591 20 30 CFEDHN C[C@@H](C(=O)NCC1CCC(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000442984196 382964454 /nfs/dbraw/zinc/96/44/54/382964454.db2.gz RUTANAHZPMVXIH-GJROSEKXSA-N 0 3 291.439 2.694 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1c(F)cccc1F ZINC000442761445 382952181 /nfs/dbraw/zinc/95/21/81/382952181.db2.gz CACAPDXVSQNOPB-YWPYICTPSA-N 0 3 293.361 2.849 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C#N)cn2)C1 ZINC000578761657 382952653 /nfs/dbraw/zinc/95/26/53/382952653.db2.gz LRUVBYOXGDDVJQ-SUMWQHHRSA-N 0 3 287.407 2.620 20 30 CFEDHN COC(=O)c1cccc(CN(C)[C@@H](C)C(C)C)c1C#N ZINC000535222186 382953310 /nfs/dbraw/zinc/95/33/10/382953310.db2.gz WYLRIMPOTUIWOC-LBPRGKRZSA-N 0 3 274.364 2.821 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000442799773 382958098 /nfs/dbraw/zinc/95/80/98/382958098.db2.gz LBLOCINWTAAPHV-UKRRQHHQSA-N 0 3 252.402 2.578 20 30 CFEDHN C[C@@H]1CCN(CCC(=O)N(C)CCC#N)[C@@H]2CCCC[C@H]12 ZINC000540010929 382961881 /nfs/dbraw/zinc/96/18/81/382961881.db2.gz VARQNNLOUGXAJI-BZUAXINKSA-N 0 3 291.439 2.649 20 30 CFEDHN COc1ccc(C2(N[C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000442861714 382962486 /nfs/dbraw/zinc/96/24/86/382962486.db2.gz DXAFLHKQZQWSIH-OCCSQVGLSA-N 0 3 256.349 2.966 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495118760 382962526 /nfs/dbraw/zinc/96/25/26/382962526.db2.gz DEJDAXDTWRMLPC-RDJZCZTQSA-N 0 3 284.403 2.699 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cc(C#N)ncn2)C1 ZINC000578402093 382916703 /nfs/dbraw/zinc/91/67/03/382916703.db2.gz VTYXKMIPFAETIQ-ZFWWWQNUSA-N 0 3 293.374 2.596 20 30 CFEDHN CC#CCN[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578403545 382917630 /nfs/dbraw/zinc/91/76/30/382917630.db2.gz JRTXLULGFZPRGM-GJZGRUSLSA-N 0 3 280.774 2.837 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000494712076 382923065 /nfs/dbraw/zinc/92/30/65/382923065.db2.gz USNOGCLIIHPRIM-HRCADAONSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000338119320 382926100 /nfs/dbraw/zinc/92/61/00/382926100.db2.gz LFRTXPGZEGLSBN-MRXNPFEDSA-N 0 3 297.402 2.567 20 30 CFEDHN COc1ccc([C@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000578518676 382928232 /nfs/dbraw/zinc/92/82/32/382928232.db2.gz DGJQTDNOCXJZDX-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000338152775 382935280 /nfs/dbraw/zinc/93/52/80/382935280.db2.gz MJNRMQOZHNUGIK-OAHLLOKOSA-N 0 3 287.407 2.573 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NCC2CC2)CCCC1(C)C ZINC000444779016 382980494 /nfs/dbraw/zinc/98/04/94/382980494.db2.gz XGHTYEURVBCXIP-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(Cl)CNC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495335028 382981177 /nfs/dbraw/zinc/98/11/77/382981177.db2.gz DAZIIBLBCBAHTO-AWEZNQCLSA-N 0 3 288.819 2.976 20 30 CFEDHN C=CC[C@@H]1N(C(=O)NCCN(C)C2CC2)CCCC1(C)C ZINC000445078663 382984012 /nfs/dbraw/zinc/98/40/12/382984012.db2.gz FNUCNWVTTFMZCO-HNNXBMFYSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCOCCN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000495597951 383000604 /nfs/dbraw/zinc/00/06/04/383000604.db2.gz XMDPEFYFOWPYON-AWEZNQCLSA-N 0 3 298.427 2.520 20 30 CFEDHN CCC(CC)(CCO)NCc1cc(C#N)ccc1OC ZINC000338370518 383008665 /nfs/dbraw/zinc/00/86/65/383008665.db2.gz VOVWQYIHFDCMKX-UHFFFAOYSA-N 0 3 276.380 2.598 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000447817268 383011620 /nfs/dbraw/zinc/01/16/20/383011620.db2.gz PJVQJLHCYDVVLA-CYBMUJFWSA-N 0 3 292.814 2.561 20 30 CFEDHN C#CCCCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000495677001 383012222 /nfs/dbraw/zinc/01/22/22/383012222.db2.gz KMCBIAQQNDLINY-KRWDZBQOSA-N 0 3 292.423 2.875 20 30 CFEDHN C=CCOCCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495731179 383018656 /nfs/dbraw/zinc/01/86/56/383018656.db2.gz SALFCMOUQBQVNX-CQSZACIVSA-N 0 3 298.427 2.520 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000541953553 382967845 /nfs/dbraw/zinc/96/78/45/382967845.db2.gz MXACXXUXQDKXSW-RDJZCZTQSA-N 0 3 278.440 2.923 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000542322408 382968830 /nfs/dbraw/zinc/96/88/30/382968830.db2.gz IRCXJPRAFUAPAM-CQSZACIVSA-N 0 3 291.439 2.697 20 30 CFEDHN COC[C@@H](NCC#Cc1ccccc1Cl)C(C)C ZINC000542524347 382968874 /nfs/dbraw/zinc/96/88/74/382968874.db2.gz WQTBNPYGLORMIQ-OAHLLOKOSA-N 0 3 265.784 2.952 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)N1CCc2c1cccc2C#N ZINC000421960937 382969284 /nfs/dbraw/zinc/96/92/84/382969284.db2.gz FFSXNUIUQGMTKP-LBPRGKRZSA-N 0 3 285.391 2.614 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)C[C@@H](C)C1 ZINC000443636462 382969375 /nfs/dbraw/zinc/96/93/75/382969375.db2.gz BIPMOXUBAQIDBY-LSDHHAIUSA-N 0 3 266.429 2.779 20 30 CFEDHN CCc1nn(C)c(CC)c1CN1CCC(CC#N)CC1 ZINC000542852835 382969392 /nfs/dbraw/zinc/96/93/92/382969392.db2.gz CZMGYZYZDWRUNW-UHFFFAOYSA-N 0 3 274.412 2.671 20 30 CFEDHN N#CC1(CN[C@H]2Cc3[nH]c4ccccc4c3C2)CCC1 ZINC000578970393 382970162 /nfs/dbraw/zinc/97/01/62/382970162.db2.gz SWIGCFYIKXKQLL-GFCCVEGCSA-N 0 3 265.360 2.919 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1snc(C)c1C#N ZINC000579575558 383030135 /nfs/dbraw/zinc/03/01/35/383030135.db2.gz IGHWQWMUTXLJJP-LBPRGKRZSA-N 0 3 278.425 3.000 20 30 CFEDHN C=CCN(C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000579608852 383035626 /nfs/dbraw/zinc/03/56/26/383035626.db2.gz FBUUDRGIHRHVKJ-UHFFFAOYSA-N 0 3 274.364 2.726 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC000245854907 383041091 /nfs/dbraw/zinc/04/10/91/383041091.db2.gz GXTJQJWBRJUSMZ-KGLIPLIRSA-N 0 3 252.402 2.722 20 30 CFEDHN C[C@H]1CCCN1C(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000551410722 383042483 /nfs/dbraw/zinc/04/24/83/383042483.db2.gz CISPNEPRVINSMM-AWEZNQCLSA-N 0 3 297.402 2.538 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](C)C1 ZINC000245894132 383045335 /nfs/dbraw/zinc/04/53/35/383045335.db2.gz KDFSRFYHPKWEAR-KFWWJZLASA-N 0 3 264.413 2.553 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC(CNCC2(C#N)CC2)CC1 ZINC000495991093 383052123 /nfs/dbraw/zinc/05/21/23/383052123.db2.gz RVHZRVUDSSNKBU-UHFFFAOYSA-N 0 3 293.411 2.527 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@H]1CCc2ccccc2N1 ZINC000579824388 383056172 /nfs/dbraw/zinc/05/61/72/383056172.db2.gz FZPSGDWURIWVKW-GDBMZVCRSA-N 0 3 282.391 2.837 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000448360112 383057316 /nfs/dbraw/zinc/05/73/16/383057316.db2.gz AEXDHIQWXXGWHX-WCQYABFASA-N 0 3 264.394 2.745 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000448360111 383057926 /nfs/dbraw/zinc/05/79/26/383057926.db2.gz AEXDHIQWXXGWHX-DGCLKSJQSA-N 0 3 264.394 2.745 20 30 CFEDHN C=CCOc1ccc(CN(CCOC)C2CC2)cc1OC ZINC000507158407 383145530 /nfs/dbraw/zinc/14/55/30/383145530.db2.gz DQTYYDPYNPWPDX-UHFFFAOYSA-N 0 3 291.391 2.871 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496872353 383126641 /nfs/dbraw/zinc/12/66/41/383126641.db2.gz DMJCVODLZMGEEA-AGIUHOORSA-N 0 3 281.400 2.666 20 30 CFEDHN C=C(Cl)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246972275 383127157 /nfs/dbraw/zinc/12/71/57/383127157.db2.gz VMOHTOQKMRRLDG-JSGCOSHPSA-N 0 3 254.805 2.688 20 30 CFEDHN C=CC[C@@H](CC)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000500808913 383136346 /nfs/dbraw/zinc/13/63/46/383136346.db2.gz FDHHBWXDBLNGKB-KGLIPLIRSA-N 0 3 280.799 2.681 20 30 CFEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(N2CCCC2)n1 ZINC000619673785 383146723 /nfs/dbraw/zinc/14/67/23/383146723.db2.gz USIHVRRMSUUEQS-GDBMZVCRSA-N 0 3 284.407 2.772 20 30 CFEDHN Fc1ccc(C#CCN[C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000503410473 383140082 /nfs/dbraw/zinc/14/00/82/383140082.db2.gz XUNXQUKWKGEQCE-ZIAGYGMSSA-N 0 3 283.293 2.927 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)[C@H]1C ZINC000246605499 383085728 /nfs/dbraw/zinc/08/57/28/383085728.db2.gz XUUZTYXOWCUSQZ-WBVHZDCISA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCCCCN1C[C@@H](C)OC2(CCOCC2)C1 ZINC000584034753 383094708 /nfs/dbraw/zinc/09/47/08/383094708.db2.gz ZMOFBHBBDMHMRG-CQSZACIVSA-N 0 3 253.386 2.613 20 30 CFEDHN CC[C@@H]1C[C@@]1(NC(=O)C(C)C#N)c1cccc(C)c1 ZINC000506184931 383144170 /nfs/dbraw/zinc/14/41/70/383144170.db2.gz VIZKWYIFYIKYDI-ZENOOKHLSA-N 0 3 256.349 2.896 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000448922099 383106688 /nfs/dbraw/zinc/10/66/88/383106688.db2.gz PQYQSAFFLUYKQC-GDBMZVCRSA-N 0 3 278.440 2.825 20 30 CFEDHN Cc1cc(C)c(C#N)c(NCCN2CCCC[C@@H]2C)n1 ZINC000338986530 383109188 /nfs/dbraw/zinc/10/91/88/383109188.db2.gz PRJDULVFSOCYBC-AWEZNQCLSA-N 0 3 272.396 2.856 20 30 CFEDHN N#CCC1(CNCc2cc(-n3ccnc3)cs2)CC1 ZINC000565281809 383177805 /nfs/dbraw/zinc/17/78/05/383177805.db2.gz XPTASYXDUYGNOQ-UHFFFAOYSA-N 0 3 272.377 2.717 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CC[C@@H]2CCCCO2)CC1 ZINC000565256860 383177825 /nfs/dbraw/zinc/17/78/25/383177825.db2.gz FDRHICOUWTUFOZ-INIZCTEOSA-N 0 3 299.418 2.898 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000565546616 383179400 /nfs/dbraw/zinc/17/94/00/383179400.db2.gz ZUBUMRGCVHVMLO-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN N#CCCOCCN1CCC[C@@H](c2ccccc2)C1 ZINC000339219431 383184331 /nfs/dbraw/zinc/18/43/31/383184331.db2.gz XBYNDZGPFKNLLI-MRXNPFEDSA-N 0 3 258.365 2.796 20 30 CFEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccccc2F)s1 ZINC000449237417 383186502 /nfs/dbraw/zinc/18/65/02/383186502.db2.gz NYUWBBPLJJQWGI-NSHDSACASA-N 0 3 292.379 2.976 20 30 CFEDHN N#Cc1cccnc1N1CCN(CC2CCCCC2)CC1 ZINC000247633244 383187337 /nfs/dbraw/zinc/18/73/37/383187337.db2.gz CEXSLQMAILHPAH-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1cc(C(N)=O)co1 ZINC000449257766 383187500 /nfs/dbraw/zinc/18/75/00/383187500.db2.gz JZYNSGOSAILRTN-LLVKDONJSA-N 0 3 250.342 2.603 20 30 CFEDHN C=C(C)[C@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)OCC ZINC000339362870 383191769 /nfs/dbraw/zinc/19/17/69/383191769.db2.gz SCPMRTXCEPFJNE-XHSDSOJGSA-N 0 3 296.455 2.737 20 30 CFEDHN C=CCCN(C)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449269964 383191926 /nfs/dbraw/zinc/19/19/26/383191926.db2.gz PAKMUIWYMQGRLC-UHFFFAOYSA-N 0 3 271.364 2.889 20 30 CFEDHN CN(CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000566657381 383198241 /nfs/dbraw/zinc/19/82/41/383198241.db2.gz WQVKMHAVIXKLAD-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248145730 383214381 /nfs/dbraw/zinc/21/43/81/383214381.db2.gz ZOQWHGZLARLKRN-GOEBONIOSA-N 0 3 258.365 2.514 20 30 CFEDHN C[C@@H]([NH2+]Cc1ncccc1[O-])c1ccc(C#N)cc1 ZINC000518746201 383206669 /nfs/dbraw/zinc/20/66/69/383206669.db2.gz LXAVZRSNGQJSSK-LLVKDONJSA-N 0 3 253.305 2.510 20 30 CFEDHN C=CCC1(C(=O)N(C)C2CCN(C)CC2)CCCC1 ZINC000449040232 383149114 /nfs/dbraw/zinc/14/91/14/383149114.db2.gz GRHKKYXORXFVGQ-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cn2ccccc2n1 ZINC000556253330 383151116 /nfs/dbraw/zinc/15/11/16/383151116.db2.gz PZOPQQAIORYRGE-ZQIUZPCESA-N 0 3 285.391 2.966 20 30 CFEDHN CC#CCN[C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000556886678 383153367 /nfs/dbraw/zinc/15/33/67/383153367.db2.gz SDKLGNJEBWERRJ-BRWVUGGUSA-N 0 3 257.377 2.951 20 30 CFEDHN CC1(C)CCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000515551524 383160409 /nfs/dbraw/zinc/16/04/09/383160409.db2.gz QUXMABGWDVDGCB-UHFFFAOYSA-N 0 3 295.390 2.843 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000562678521 383161272 /nfs/dbraw/zinc/16/12/72/383161272.db2.gz KJLJLBVHYZDZGG-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN CC(C)[C@@H](CO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000516267617 383163276 /nfs/dbraw/zinc/16/32/76/383163276.db2.gz JDCTWOFXDVPFCE-WCQYABFASA-N 0 3 264.344 2.612 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000563026830 383164812 /nfs/dbraw/zinc/16/48/12/383164812.db2.gz KHOAFYYWVTXYEU-QZWWFDLISA-N 0 3 293.370 2.545 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)s2)[C@H]2CCO[C@H]21 ZINC000247341233 383165534 /nfs/dbraw/zinc/16/55/34/383165534.db2.gz NTNNXLJOJNLJSQ-JHJVBQTASA-N 0 3 262.378 2.523 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CCC[C@H]2C1 ZINC000247375303 383167790 /nfs/dbraw/zinc/16/77/90/383167790.db2.gz PKPSDIUZRXUVRW-KKUMJFAQSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCOCCN1CCC(c2ccnn2CCC)CC1 ZINC000339155213 383169570 /nfs/dbraw/zinc/16/95/70/383169570.db2.gz JLXJWIXOILNXJV-UHFFFAOYSA-N 0 3 277.412 2.675 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000339155729 383169819 /nfs/dbraw/zinc/16/98/19/383169819.db2.gz QPIYODJKYQBTMU-MXASKKJJSA-N 0 3 298.386 2.567 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000247409867 383170629 /nfs/dbraw/zinc/17/06/29/383170629.db2.gz QBHFPSUJCCAZFG-IJEWVQPXSA-N 0 3 293.455 2.761 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000248618829 383272392 /nfs/dbraw/zinc/27/23/92/383272392.db2.gz JZSAKCOQQKEBJS-CABCVRRESA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2CCCC(C)(C)C2)nn1 ZINC000567462875 383277737 /nfs/dbraw/zinc/27/77/37/383277737.db2.gz BSPBOZMRONEITR-CYBMUJFWSA-N 0 3 262.401 2.770 20 30 CFEDHN CC(C)Oc1cccc(CN(C)C(=O)C(C)C#N)c1 ZINC000339528569 383233360 /nfs/dbraw/zinc/23/33/60/383233360.db2.gz XNVRCOCNPARSES-LBPRGKRZSA-N 0 3 260.337 2.592 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000248451100 383245483 /nfs/dbraw/zinc/24/54/83/383245483.db2.gz IWOYXOYQPUDNHE-HZPDHXFCSA-N 0 3 286.419 2.783 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CC1CCN(C)CC1 ZINC000425129956 383326949 /nfs/dbraw/zinc/32/69/49/383326949.db2.gz MRTHFVJSFULLKB-AWEZNQCLSA-N 0 3 299.418 2.810 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(CCOC2)C1 ZINC000249261325 383335850 /nfs/dbraw/zinc/33/58/50/383335850.db2.gz HSVHDJNHLLMVLA-XJKSGUPXSA-N 0 3 256.349 2.732 20 30 CFEDHN COC(=O)[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249276819 383336507 /nfs/dbraw/zinc/33/65/07/383336507.db2.gz MZRBYEVIMGXBMQ-IUODEOHRSA-N 0 3 272.348 2.504 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425208731 383340385 /nfs/dbraw/zinc/34/03/85/383340385.db2.gz PMRIGGAVNISBRV-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CCO[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000449504927 383341357 /nfs/dbraw/zinc/34/13/57/383341357.db2.gz YUGKYSJGROQWRC-SMDDNHRTSA-N 0 3 264.394 2.867 20 30 CFEDHN Cc1cc(N2CCN(CC3CCCCC3)CC2)c(C#N)cn1 ZINC000425213218 383341766 /nfs/dbraw/zinc/34/17/66/383341766.db2.gz GNTLWBFRGHMWRN-UHFFFAOYSA-N 0 3 298.434 2.964 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000634746130 383345247 /nfs/dbraw/zinc/34/52/47/383345247.db2.gz HKCOELCMQWDAGC-OKILXGFUSA-N 0 3 293.794 2.983 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000248746283 383287111 /nfs/dbraw/zinc/28/71/11/383287111.db2.gz FMPWJGOCKOLMOJ-INMHGKMJSA-N 0 3 297.402 2.854 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@H](O)c2ccc(F)cc2)C1 ZINC000248821363 383293546 /nfs/dbraw/zinc/29/35/46/383293546.db2.gz LJUXTLAZWQRTNE-UGFHNGPFSA-N 0 3 262.328 2.531 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@H](O)c2ccc(F)cc2)C1 ZINC000248821359 383294118 /nfs/dbraw/zinc/29/41/18/383294118.db2.gz LJUXTLAZWQRTNE-DFBGVHRSSA-N 0 3 262.328 2.531 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)CCCC)CC1 ZINC000460271787 383299081 /nfs/dbraw/zinc/29/90/81/383299081.db2.gz ZLFACEBITVVTTQ-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN N#CCCCN1CCN(CCCC#N)[C@H]2CCCC[C@H]21 ZINC000339734362 383301648 /nfs/dbraw/zinc/30/16/48/383301648.db2.gz REWONNUXOCCUIZ-IYBDPMFKSA-N 0 3 274.412 2.523 20 30 CFEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000248900445 383305283 /nfs/dbraw/zinc/30/52/83/383305283.db2.gz RCMKZONZBAXFEG-CHWSQXEVSA-N 0 3 273.380 2.863 20 30 CFEDHN Cc1cc(CNC2(C(=O)N(C)C)CCCCC2)ccc1C#N ZINC000449462347 383308117 /nfs/dbraw/zinc/30/81/17/383308117.db2.gz SODVGLQAWDXIOW-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN CN(C)C(=O)C1(NCc2cc(C#N)cs2)CCCCC1 ZINC000449462348 383308135 /nfs/dbraw/zinc/30/81/35/383308135.db2.gz SOLRVUOCWULXCI-UHFFFAOYSA-N 0 3 291.420 2.500 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 ZINC000450272295 383388321 /nfs/dbraw/zinc/38/83/21/383388321.db2.gz WVELNOWMOBSKPJ-MLGOLLRUSA-N 0 3 271.364 2.545 20 30 CFEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC2(C#N)CCC2)C1 ZINC000450292874 383388996 /nfs/dbraw/zinc/38/89/96/383388996.db2.gz WFAQXJZDFGMHNI-HUUCEWRRSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)CCC ZINC000450275603 383389054 /nfs/dbraw/zinc/38/90/54/383389054.db2.gz GEZAQIPJBRIXPC-OAHLLOKOSA-N 0 3 263.381 2.844 20 30 CFEDHN N#CC1(CN2CCN(CC3CCCCC3)CC2)CCC1 ZINC000450301336 383390017 /nfs/dbraw/zinc/39/00/17/383390017.db2.gz VFDAMBRSSRUXIH-UHFFFAOYSA-N 0 3 275.440 2.878 20 30 CFEDHN N#Cc1ccc(CN[C@@H]([C@@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449515161 383350465 /nfs/dbraw/zinc/35/04/65/383350465.db2.gz ZOASOSXPLNXCQW-DOTOQJQBSA-N 0 3 288.366 2.584 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(C(C)C)s1 ZINC000449516403 383351139 /nfs/dbraw/zinc/35/11/39/383351139.db2.gz ANKPNTGKZVRQCL-NEPJUHHUSA-N 0 3 252.383 2.700 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000467429419 383353800 /nfs/dbraw/zinc/35/38/00/383353800.db2.gz XTKHWIOIFKYQLS-WMZOPIPTSA-N 0 3 288.435 2.878 20 30 CFEDHN C=CCC1(NCc2ccnc(N(C)C)n2)CCCCC1 ZINC000449571592 383356727 /nfs/dbraw/zinc/35/67/27/383356727.db2.gz HBGNRAIPUCFGJR-UHFFFAOYSA-N 0 3 274.412 2.911 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449690749 383360674 /nfs/dbraw/zinc/36/06/74/383360674.db2.gz RKFIIBBABHAHNV-CHWSQXEVSA-N 0 3 284.338 2.793 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCOCC1CCC1)CC2 ZINC000568144403 383362204 /nfs/dbraw/zinc/36/22/04/383362204.db2.gz IXRCRCKRARVTLU-QGZVFWFLSA-N 0 3 270.376 2.952 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccccn2)s1 ZINC000449701483 383362227 /nfs/dbraw/zinc/36/22/27/383362227.db2.gz WUVSMOHNABECEE-LBPRGKRZSA-N 0 3 289.404 2.622 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc2cc(OC)ccc2o1 ZINC000449698463 383362433 /nfs/dbraw/zinc/36/24/33/383362433.db2.gz NSFVFTWMOOMCAC-ZDUSSCGKSA-N 0 3 275.348 2.858 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](CCCO)C1 ZINC000449792544 383366055 /nfs/dbraw/zinc/36/60/55/383366055.db2.gz UBUUQECDBMPVSE-OAHLLOKOSA-N 0 3 275.392 2.846 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H]2CCCN(C)C2)CCCC1 ZINC000449996063 383375679 /nfs/dbraw/zinc/37/56/79/383375679.db2.gz NZEDUKCKSVPDSY-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccccc2C#N)C1 ZINC000340205937 383381498 /nfs/dbraw/zinc/38/14/98/383381498.db2.gz ISKBJTUZQGYAIF-CJNGLKHVSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553636 383385024 /nfs/dbraw/zinc/38/50/24/383385024.db2.gz UAHSRPQLKUVTME-ARFHVFGLSA-N 0 3 295.810 2.775 20 30 CFEDHN C=CCC1(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)CCCC1 ZINC000450264686 383387998 /nfs/dbraw/zinc/38/79/98/383387998.db2.gz GPCPAIFVROHBLV-KBPBESRZSA-N 0 3 296.480 2.627 20 30 CFEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CCCC#N ZINC000425607176 383387999 /nfs/dbraw/zinc/38/79/99/383387999.db2.gz NLOUYTBTSJTQFU-HNNXBMFYSA-N 0 3 285.391 2.590 20 30 CFEDHN CO[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000340485034 383438909 /nfs/dbraw/zinc/43/89/09/383438909.db2.gz AEYIGUUFTHAVQN-JKSUJKDBSA-N 0 3 256.349 2.560 20 30 CFEDHN CCOC(=O)C[C@](C)(NCC#Cc1ccccc1)C(C)C ZINC000483695037 383450234 /nfs/dbraw/zinc/45/02/34/383450234.db2.gz FCLFEFNARKQCSL-SFHVURJKSA-N 0 3 287.403 2.996 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]1CC)C(C)C ZINC000487829597 383482276 /nfs/dbraw/zinc/48/22/76/383482276.db2.gz DEYSTXTZPDZIPJ-JKSUJKDBSA-N 0 3 293.455 2.879 20 30 CFEDHN C=CCN(CC(=O)N[C@@H](C)CC)CC1CCCCC1 ZINC000484576921 383456736 /nfs/dbraw/zinc/45/67/36/383456736.db2.gz ZRWCPKXXNLOSKO-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CCN(C2CC2)C[C@@H](C)C1 ZINC000450551254 383458226 /nfs/dbraw/zinc/45/82/26/383458226.db2.gz ZGYGSGOORWCULP-CYBMUJFWSA-N 0 3 297.402 2.681 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485878673 383468754 /nfs/dbraw/zinc/46/87/54/383468754.db2.gz BZSWHQXFJDUDSD-RCCFBDPRSA-N 0 3 298.430 2.947 20 30 CFEDHN Cc1ccccc1[C@@H](NCC(=O)NC1(C#N)CCC1)C1CC1 ZINC000527377976 383469771 /nfs/dbraw/zinc/46/97/71/383469771.db2.gz RDKIXNQHXZBYJD-KRWDZBQOSA-N 0 3 297.402 2.598 20 30 CFEDHN CCCCC[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000486790896 383475985 /nfs/dbraw/zinc/47/59/85/383475985.db2.gz ZYNCFCOBCUUORC-DOTOQJQBSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[C@@H](C)C1 ZINC000429565752 383546449 /nfs/dbraw/zinc/54/64/49/383546449.db2.gz SYXSKHWPAWVYLL-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1ccc([C@H](CNc2ccc(C#N)c(C)n2)N(C)C)cc1 ZINC000488062921 383492212 /nfs/dbraw/zinc/49/22/12/383492212.db2.gz IOPMHRWNCRKTSL-KRWDZBQOSA-N 0 3 294.402 2.707 20 30 CFEDHN CS[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1N(C)C ZINC000340756567 383493657 /nfs/dbraw/zinc/49/36/57/383493657.db2.gz VUUPRRXRIWSFOJ-UONOGXRCSA-N 0 3 295.839 2.693 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC23CCCC3)CC1 ZINC000428619656 383497868 /nfs/dbraw/zinc/49/78/68/383497868.db2.gz DPCPJLSIMLSVMQ-HNNXBMFYSA-N 0 3 291.439 2.659 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000428636498 383498141 /nfs/dbraw/zinc/49/81/41/383498141.db2.gz ADAZSCJAKATRBL-GDBMZVCRSA-N 0 3 287.407 2.697 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2c2nccc(C#N)c2Cl)C1 ZINC000429216432 383507150 /nfs/dbraw/zinc/50/71/50/383507150.db2.gz PHWAZPQSJAKVQP-QWHCGFSZSA-N 0 3 290.798 2.527 20 30 CFEDHN CCC1CCC(N(CCO)CC2(C#N)CC2)CC1 ZINC000488238337 383507157 /nfs/dbraw/zinc/50/71/57/383507157.db2.gz ZOXAXTZFPPDPLN-UHFFFAOYSA-N 0 3 250.386 2.553 20 30 CFEDHN C=CCOCCCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429228659 383507238 /nfs/dbraw/zinc/50/72/38/383507238.db2.gz ANUXNOADLWEWDI-HNNXBMFYSA-N 0 3 292.398 2.929 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528392088 383515920 /nfs/dbraw/zinc/51/59/20/383515920.db2.gz ZMLWMWKONWTGEO-OAHLLOKOSA-N 0 3 264.413 2.818 20 30 CFEDHN C=CCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429389369 383527926 /nfs/dbraw/zinc/52/79/26/383527926.db2.gz VEEXJXLULHZSQQ-ZIAGYGMSSA-N 0 3 266.429 2.920 20 30 CFEDHN CSC[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000569739955 383533962 /nfs/dbraw/zinc/53/39/62/383533962.db2.gz TVLLPCFQBFOLKS-CYBMUJFWSA-N 0 3 261.394 2.528 20 30 CFEDHN C=CCN1CC[C@H](N2CCc3ccccc3C2(C)C)C1=O ZINC000569827472 383541410 /nfs/dbraw/zinc/54/14/10/383541410.db2.gz XCQLNDWZNWUGJO-INIZCTEOSA-N 0 3 284.403 2.567 20 30 CFEDHN CC#CCCCC(=O)N(CC)C[C@@H]1CCCN1CC ZINC000570146901 383575796 /nfs/dbraw/zinc/57/57/96/383575796.db2.gz AIXXJRHEDLLYBO-HNNXBMFYSA-N 0 3 264.413 2.513 20 30 CFEDHN CCOc1cc(CNCC2(CC#N)CC2)ccc1OC ZINC000430005800 383581017 /nfs/dbraw/zinc/58/10/17/383581017.db2.gz NIVFJGYMJCMOLL-UHFFFAOYSA-N 0 3 274.364 2.877 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1 ZINC000430135161 383590108 /nfs/dbraw/zinc/59/01/08/383590108.db2.gz FQBJCHDNYWNQLW-ZFWWWQNUSA-N 0 3 261.365 2.597 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Nc3ccccc3)C2)C1 ZINC000429692536 383558857 /nfs/dbraw/zinc/55/88/57/383558857.db2.gz UAAOVXMVDIJWNX-VNQPRFMTSA-N 0 3 255.365 2.865 20 30 CFEDHN C=CCN(C)CCN(CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000429711947 383562676 /nfs/dbraw/zinc/56/26/76/383562676.db2.gz AKJJFCNJGNWNDU-UHFFFAOYSA-N 0 3 291.395 2.577 20 30 CFEDHN CC(C)(CN1CCCC1)Nc1ncc(C#N)cc1Cl ZINC000450953113 383565889 /nfs/dbraw/zinc/56/58/89/383565889.db2.gz XARCCMRFJBHIKK-UHFFFAOYSA-N 0 3 278.787 2.893 20 30 CFEDHN Cc1nnc(NCCN2[C@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000341108884 383567955 /nfs/dbraw/zinc/56/79/55/383567955.db2.gz SYTYODARHLNROJ-TXEJJXNPSA-N 0 3 287.411 2.640 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000429810954 383571290 /nfs/dbraw/zinc/57/12/90/383571290.db2.gz QFAFJHUUWHQZRL-KBPBESRZSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000570883762 383644012 /nfs/dbraw/zinc/64/40/12/383644012.db2.gz IVEOFRMVYXJRAJ-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)[C@@H](C)c2ccccc2)C1=O ZINC000280902599 195022364 /nfs/dbraw/zinc/02/23/64/195022364.db2.gz BSPGZZOMYGXTEL-FMKPAKJESA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@H]1C[C@@H]1C)C(C)C ZINC000570975454 383651773 /nfs/dbraw/zinc/65/17/73/383651773.db2.gz FABFDFLPFSVFDE-ARFHVFGLSA-N 0 3 278.440 2.847 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000528759336 383626789 /nfs/dbraw/zinc/62/67/89/383626789.db2.gz UASPKSDSIGJPBB-ZVXAKGHKSA-N 0 3 262.328 2.599 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451499689 383630055 /nfs/dbraw/zinc/63/00/55/383630055.db2.gz MNPMJOAHWTVBCG-COLVAYQJSA-N 0 3 276.355 2.846 20 30 CFEDHN COc1cccc([C@H]2CN(C(=O)C(C)C#N)CC2(C)C)c1 ZINC000529729446 383751086 /nfs/dbraw/zinc/75/10/86/383751086.db2.gz WAHNSXYLYKDBSK-SWLSCSKDSA-N 0 3 286.375 2.807 20 30 CFEDHN COc1cccc([C@@H]2CN(C(=O)C(C)C#N)CC2(C)C)c1 ZINC000529729447 383751382 /nfs/dbraw/zinc/75/13/82/383751382.db2.gz WAHNSXYLYKDBSK-WFASDCNBSA-N 0 3 286.375 2.807 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433047272 383753783 /nfs/dbraw/zinc/75/37/83/383753783.db2.gz WQKWJTUYGCGHQN-RHSMWYFYSA-N 0 3 286.419 2.729 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433047274 383753960 /nfs/dbraw/zinc/75/39/60/383753960.db2.gz WQKWJTUYGCGHQN-YOEHRIQHSA-N 0 3 286.419 2.729 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccco1 ZINC000433113926 383754954 /nfs/dbraw/zinc/75/49/54/383754954.db2.gz FWUNJTWUEVWJMY-AWEZNQCLSA-N 0 3 268.316 2.668 20 30 CFEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)CO1 ZINC000572120605 383757054 /nfs/dbraw/zinc/75/70/54/383757054.db2.gz YPJPNCAWRUBJHS-CABZTGNLSA-N 0 3 284.281 2.844 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000264584672 383758594 /nfs/dbraw/zinc/75/85/94/383758594.db2.gz WVONOAPLJMADJL-GFCCVEGCSA-N 0 3 262.378 2.526 20 30 CFEDHN C[C@H](CCN(C)CC(C)(C)C#N)N(C)CC(C)(C)C#N ZINC000433308924 383759042 /nfs/dbraw/zinc/75/90/42/383759042.db2.gz ZFERDNADBLFQAO-CQSZACIVSA-N 0 3 278.444 2.728 20 30 CFEDHN CN(C)[C@H](CC(=O)N(C)C1(C#N)CCC1)c1ccccc1 ZINC000433319598 383760431 /nfs/dbraw/zinc/76/04/31/383760431.db2.gz RNWMPCIBDXQNCA-OAHLLOKOSA-N 0 3 285.391 2.584 20 30 CFEDHN CC(C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433316588 383760602 /nfs/dbraw/zinc/76/06/02/383760602.db2.gz GJBBUXRSUAQNLU-OAHLLOKOSA-N 0 3 258.365 2.873 20 30 CFEDHN CN1CCCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000435246582 383773615 /nfs/dbraw/zinc/77/36/15/383773615.db2.gz HXBKYEHZRGFRMS-UHFFFAOYSA-N 0 3 287.407 2.507 20 30 CFEDHN COCCN(Cc1ccc(C#N)cn1)C[C@@H]1CC=CCC1 ZINC000571222169 383674447 /nfs/dbraw/zinc/67/44/47/383674447.db2.gz CXFVWDHZMQTLRA-OAHLLOKOSA-N 0 3 285.391 2.758 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000265052726 383822779 /nfs/dbraw/zinc/82/27/79/383822779.db2.gz QIMIQAUTSSUASG-JKSUJKDBSA-N 0 3 258.365 2.684 20 30 CFEDHN COC(=O)c1cccc(CN[C@@H]2CCC2(C)C)c1C#N ZINC000572421286 383780826 /nfs/dbraw/zinc/78/08/26/383780826.db2.gz ZOSYVLPCNOPKIU-CQSZACIVSA-N 0 3 272.348 2.623 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000453141233 383782251 /nfs/dbraw/zinc/78/22/51/383782251.db2.gz BXKBHFRJOWKRMT-GJZGRUSLSA-N 0 3 274.339 2.745 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640445241 383795470 /nfs/dbraw/zinc/79/54/70/383795470.db2.gz HCMDJTLCXQQYKI-OAHLLOKOSA-N 0 3 287.407 2.723 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640445240 383795824 /nfs/dbraw/zinc/79/58/24/383795824.db2.gz HCMDJTLCXQQYKI-HNNXBMFYSA-N 0 3 287.407 2.723 20 30 CFEDHN N#CCc1ccc(CNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000572604376 383797956 /nfs/dbraw/zinc/79/79/56/383797956.db2.gz LZCIOYZBCXQOEC-KRWDZBQOSA-N 0 3 299.418 2.667 20 30 CFEDHN C=C[C@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000436287811 383800542 /nfs/dbraw/zinc/80/05/42/383800542.db2.gz UZJXMCTXVOYROY-LBPRGKRZSA-N 0 3 259.328 2.735 20 30 CFEDHN C[C@H](CCCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000453282074 383835743 /nfs/dbraw/zinc/83/57/43/383835743.db2.gz TXYOUDUHUGIFAU-VXGBXAGGSA-N 0 3 264.344 2.757 20 30 CFEDHN C=CCCC(=O)N1c2ccccc2CC[C@@H]1CN(C)C ZINC000436719257 383879724 /nfs/dbraw/zinc/87/97/24/383879724.db2.gz CNMUXSJPPLBNTF-OAHLLOKOSA-N 0 3 272.392 2.862 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C1CCOCC1 ZINC000531416026 383865348 /nfs/dbraw/zinc/86/53/48/383865348.db2.gz DSDMRMSDJAGJIK-UHFFFAOYSA-N 0 3 263.768 2.802 20 30 CFEDHN C=CCCCCn1cc(CCN2CCCCC2)nn1 ZINC000640938467 383957891 /nfs/dbraw/zinc/95/78/91/383957891.db2.gz AVXXDANPLBYVJA-UHFFFAOYSA-N 0 3 262.401 2.663 20 30 CFEDHN C=CC(C)(C)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000573926740 384015915 /nfs/dbraw/zinc/01/59/15/384015915.db2.gz FRUCCGBCNXVWIX-UHFFFAOYSA-N 0 3 289.423 2.574 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438688813 384027510 /nfs/dbraw/zinc/02/75/10/384027510.db2.gz XFMVHZMSWLACOG-BPLDGKMQSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000637324214 384031670 /nfs/dbraw/zinc/03/16/70/384031670.db2.gz RAAZIUXCPMPWNE-AWEZNQCLSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000637324215 384031915 /nfs/dbraw/zinc/03/19/15/384031915.db2.gz RAAZIUXCPMPWNE-CQSZACIVSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC000439767977 384037861 /nfs/dbraw/zinc/03/78/61/384037861.db2.gz PZZIEIQDFYCLCG-WKILWMFISA-N 0 3 275.392 2.987 20 30 CFEDHN COc1cccc([C@@H]2C[C@H]2CNCc2nc(C#N)cs2)c1 ZINC000574172993 384057065 /nfs/dbraw/zinc/05/70/65/384057065.db2.gz GLOFEOFGUUDWQM-WFASDCNBSA-N 0 3 299.399 2.917 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000637620686 384137831 /nfs/dbraw/zinc/13/78/31/384137831.db2.gz GREZELIHCWIQHB-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCCC[C@H](C)n1cc([C@@H](N)C2CCOCC2)nn1 ZINC000641232596 384140686 /nfs/dbraw/zinc/14/06/86/384140686.db2.gz HCOKYFXGWIXDPI-WFASDCNBSA-N 0 3 278.400 2.622 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)NCC ZINC000637890450 384254425 /nfs/dbraw/zinc/25/44/25/384254425.db2.gz ZESIXZQAYGCJHV-SNVBAGLBSA-N 0 3 286.828 2.914 20 30 CFEDHN C#CCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000277514306 384323852 /nfs/dbraw/zinc/32/38/52/384323852.db2.gz QUALFOMTDISFEV-PBHICJAKSA-N 0 3 272.392 2.598 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cccc(OC)c1OC(C)C ZINC000641759062 384325155 /nfs/dbraw/zinc/32/51/55/384325155.db2.gz ANCWTTBBCXOBBU-HNNXBMFYSA-N 0 3 293.407 2.899 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccccc1OCCCC ZINC000641767362 384333451 /nfs/dbraw/zinc/33/34/51/384333451.db2.gz JLVFPSCCFDJHDD-MRXNPFEDSA-N 0 3 275.392 2.729 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(CC(F)(F)F)cc1 ZINC000641768258 384334752 /nfs/dbraw/zinc/33/47/52/384334752.db2.gz YONHPHUMGSZRRI-CQSZACIVSA-N 0 3 285.309 2.655 20 30 CFEDHN C#CCCOc1ccc(CNC2CC(F)(F)C2)cc1 ZINC000277707083 384382026 /nfs/dbraw/zinc/38/20/26/384382026.db2.gz RUUACYBWTXATIR-UHFFFAOYSA-N 0 3 265.303 2.976 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1C2CCC1CC2 ZINC000642525512 384436922 /nfs/dbraw/zinc/43/69/22/384436922.db2.gz SHHCLLLUKCTUKK-OFLPRAFFSA-N 0 3 287.403 2.782 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCSC1 ZINC000278445962 384577543 /nfs/dbraw/zinc/57/75/43/384577543.db2.gz MKLOBNNBOOEJJC-MRXNPFEDSA-N 0 3 290.432 2.760 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1ccns1)C(C)C ZINC000638357823 384580876 /nfs/dbraw/zinc/58/08/76/384580876.db2.gz UXQHLDSOGVJMCZ-OAHLLOKOSA-N 0 3 279.453 2.931 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)COC(C)C ZINC000279379664 384620210 /nfs/dbraw/zinc/62/02/10/384620210.db2.gz SODPXWVPPYTRPX-KRWDZBQOSA-N 0 3 277.408 2.851 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000638454814 384672788 /nfs/dbraw/zinc/67/27/88/384672788.db2.gz LAYWYEKBSGFJQR-HNNXBMFYSA-N 0 3 272.392 2.592 20 30 CFEDHN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268609353 384638102 /nfs/dbraw/zinc/63/81/02/384638102.db2.gz WEXDHUXUIOHVEL-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN CN(CCc1ccc(F)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268634606 384642335 /nfs/dbraw/zinc/64/23/35/384642335.db2.gz QWLZWDDNGVVQNZ-SFHVURJKSA-N 0 3 298.361 2.905 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(F)c(F)c1 ZINC000268655122 384644563 /nfs/dbraw/zinc/64/45/63/384644563.db2.gz PQXNPRMSZGIBRC-GFCCVEGCSA-N 0 3 255.308 2.724 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000268689604 384647900 /nfs/dbraw/zinc/64/79/00/384647900.db2.gz GYCCPTOWQLSUNY-MRXNPFEDSA-N 0 3 285.391 2.686 20 30 CFEDHN C=CCC[C@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268688184 384648681 /nfs/dbraw/zinc/64/86/81/384648681.db2.gz ZFIAOYSUEMTYJI-HNNXBMFYSA-N 0 3 297.402 2.979 20 30 CFEDHN C=C(CNC[C@H](OC)C1CCOCC1)c1ccccc1 ZINC000638438700 384654586 /nfs/dbraw/zinc/65/45/86/384654586.db2.gz LVSAZZBZCDOFEG-KRWDZBQOSA-N 0 3 275.392 2.731 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C#N)s2)CCCC1 ZINC000279669903 384716324 /nfs/dbraw/zinc/71/63/24/384716324.db2.gz NDINRLBYXWOQKQ-UHFFFAOYSA-N 0 3 278.377 2.585 20 30 CFEDHN CCOCCCCNCc1ccc(C#N)cc1F ZINC000269418410 384756527 /nfs/dbraw/zinc/75/65/27/384756527.db2.gz LBEQIEWXRJDYIR-UHFFFAOYSA-N 0 3 250.317 2.604 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2csc(C)n2)CC1 ZINC000269424673 384758192 /nfs/dbraw/zinc/75/81/92/384758192.db2.gz NFEHBIAPGNVPQX-LLVKDONJSA-N 0 3 265.426 2.753 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(Br)cn1 ZINC000280266150 384952919 /nfs/dbraw/zinc/95/29/19/384952919.db2.gz CMMVDZFRFVFAGJ-PWSUYJOCSA-N 0 3 299.212 2.822 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@](C)(O)CC1 ZINC000280166066 384911089 /nfs/dbraw/zinc/91/10/89/384911089.db2.gz SGVZIVBLBGYGTP-BBRMVZONSA-N 0 3 258.365 2.856 20 30 CFEDHN CN1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccccc1 ZINC000270273853 385038809 /nfs/dbraw/zinc/03/88/09/385038809.db2.gz KVVPSKIGQSVFBE-JKSUJKDBSA-N 0 3 278.359 2.811 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000280630985 385091552 /nfs/dbraw/zinc/09/15/52/385091552.db2.gz MAXCQZFBHDAZFI-WQVCFCJDSA-N 0 3 286.375 2.941 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@@H](C)CO)cc1Cl ZINC000289179900 197254863 /nfs/dbraw/zinc/25/48/63/197254863.db2.gz AJTBPKCLTXXMOL-NSHDSACASA-N 0 3 269.772 2.717 20 30 CFEDHN C=CCN(CCOC)Cc1cccc2ncccc12 ZINC000639098405 385188129 /nfs/dbraw/zinc/18/81/29/385188129.db2.gz APUDXZYURQORPX-UHFFFAOYSA-N 0 3 256.349 2.869 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1cccn(C(F)F)c1=O ZINC000639112440 385207554 /nfs/dbraw/zinc/20/75/54/385207554.db2.gz QFXIXYURVQKOJN-LBPRGKRZSA-N 0 3 268.307 2.784 20 30 CFEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C)c(C#N)c1C ZINC000282135231 385223005 /nfs/dbraw/zinc/22/30/05/385223005.db2.gz RPVMNEGGWMCNRI-PUYPPJJSSA-N 0 3 289.379 2.873 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)[C@H]2C)C1=O ZINC000282138818 385223093 /nfs/dbraw/zinc/22/30/93/385223093.db2.gz ZIWBHOGGSFFYOD-OIISXLGYSA-N 0 3 284.403 2.651 20 30 CFEDHN C=CCCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000270967493 385286818 /nfs/dbraw/zinc/28/68/18/385286818.db2.gz PCXZZTNJYDFBLJ-CYBMUJFWSA-N 0 3 284.197 2.990 20 30 CFEDHN C=CCC[C@@H](C)NCCS(=O)(=O)CCc1ccccc1 ZINC000282618055 385354276 /nfs/dbraw/zinc/35/42/76/385354276.db2.gz XRUWCAKDESNOGJ-OAHLLOKOSA-N 0 3 295.448 2.588 20 30 CFEDHN COc1cc(CN[C@H]2CSC2(C)C)ccc1C#N ZINC000282672588 385368134 /nfs/dbraw/zinc/36/81/34/385368134.db2.gz JQVNCNHDDJEMMN-ZDUSSCGKSA-N 0 3 262.378 2.550 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000271674863 385387960 /nfs/dbraw/zinc/38/79/60/385387960.db2.gz OELVMOPEURGKJR-GFCCVEGCSA-N 0 3 286.379 2.925 20 30 CFEDHN C#CCCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271068387 385328110 /nfs/dbraw/zinc/32/81/10/385328110.db2.gz VBLWROIFRZEBIT-SCLBCKFNSA-N 0 3 263.406 2.830 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271947745 385408248 /nfs/dbraw/zinc/40/82/48/385408248.db2.gz NUGYIZUTNOCSPR-NSHDSACASA-N 0 3 262.353 2.714 20 30 CFEDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271969394 385414549 /nfs/dbraw/zinc/41/45/49/385414549.db2.gz UFICATVVHWAHGY-FDMGOTLNSA-N 0 3 282.384 2.505 20 30 CFEDHN Cc1csc(NC(=O)C2CCN(C3CC3)CC2)c1C#N ZINC000288913106 197190925 /nfs/dbraw/zinc/19/09/25/197190925.db2.gz UZZOYVYUCBSFAQ-UHFFFAOYSA-N 0 3 289.404 2.741 20 30 CFEDHN Cc1ccc([C@H](CNc2cc(C#N)ccn2)N(C)C)cc1 ZINC000283748044 385495772 /nfs/dbraw/zinc/49/57/72/385495772.db2.gz KMHZOXIHTRELRY-INIZCTEOSA-N 0 3 280.375 2.977 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC000272301239 385502975 /nfs/dbraw/zinc/50/29/75/385502975.db2.gz GZXCZWXESLGBBC-CVEARBPZSA-N 0 3 272.392 2.787 20 30 CFEDHN C=CCOc1cccc(CNC2(COC)CCC2)c1 ZINC000284073297 385530842 /nfs/dbraw/zinc/53/08/42/385530842.db2.gz QOIFALHSUYHFDQ-UHFFFAOYSA-N 0 3 261.365 2.910 20 30 CFEDHN C=CCN(CCc1ccccc1)CCc1cnccn1 ZINC000639461727 385544579 /nfs/dbraw/zinc/54/45/79/385544579.db2.gz VDCUGQFNXTVGAG-UHFFFAOYSA-N 0 3 267.376 2.750 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCCC[C@@H]1O ZINC000272606281 385574835 /nfs/dbraw/zinc/57/48/35/385574835.db2.gz WCEOECUMPFWFRP-HOCLYGCPSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000272529160 385559139 /nfs/dbraw/zinc/55/91/39/385559139.db2.gz IZEYJOYITPOXFL-AWEZNQCLSA-N 0 3 288.391 2.667 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1cccc(C)c1 ZINC000286109454 385560294 /nfs/dbraw/zinc/56/02/94/385560294.db2.gz MZPLMRKQQRBWKQ-HNNXBMFYSA-N 0 3 281.421 2.637 20 30 CFEDHN C=C[C@H](CC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000272538315 385560298 /nfs/dbraw/zinc/56/02/98/385560298.db2.gz KDDLNSFAWUUCPP-RBSFLKMASA-N 0 3 272.392 2.555 20 30 CFEDHN C=C[C@H](CC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1 ZINC000272538317 385560599 /nfs/dbraw/zinc/56/05/99/385560599.db2.gz KDDLNSFAWUUCPP-RRFJBIMHSA-N 0 3 272.392 2.555 20 30 CFEDHN Cc1cc(C#N)nc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000286126276 385561994 /nfs/dbraw/zinc/56/19/94/385561994.db2.gz FLQRPTSXRRNPFZ-CVEARBPZSA-N 0 3 293.374 2.514 20 30 CFEDHN Cc1cc(C#N)nc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000286126287 385562077 /nfs/dbraw/zinc/56/20/77/385562077.db2.gz FLQRPTSXRRNPFZ-JKSUJKDBSA-N 0 3 293.374 2.514 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000272545222 385562288 /nfs/dbraw/zinc/56/22/88/385562288.db2.gz LJZOGCGOQDWAGJ-LBPRGKRZSA-N 0 3 265.353 2.557 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C#N)ccc1NC ZINC000286127869 385562658 /nfs/dbraw/zinc/56/26/58/385562658.db2.gz YEIMULGDPSNMMN-LLVKDONJSA-N 0 3 288.395 2.705 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C#N)ccc1NC ZINC000286127874 385562740 /nfs/dbraw/zinc/56/27/40/385562740.db2.gz YEIMULGDPSNMMN-NSHDSACASA-N 0 3 288.395 2.705 20 30 CFEDHN C[C@@H](CNc1cc(C#N)ccn1)N1CCc2ccccc2C1 ZINC000286184137 385568537 /nfs/dbraw/zinc/56/85/37/385568537.db2.gz QLQPOPNSAWLHIV-AWEZNQCLSA-N 0 3 292.386 2.812 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cc(F)ccc1OC ZINC000272582757 385568999 /nfs/dbraw/zinc/56/89/99/385568999.db2.gz QTAZKSQQKYOHMW-NSHDSACASA-N 0 3 253.317 2.688 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(OC)cccc1OC ZINC000286218124 385573315 /nfs/dbraw/zinc/57/33/15/385573315.db2.gz YONFSZIWFDQKHU-DYVFJYSZSA-N 0 3 291.391 2.775 20 30 CFEDHN CCC[C@]1(CO)CCN(CC#Cc2ccccc2)C1 ZINC000288756304 197159111 /nfs/dbraw/zinc/15/91/11/197159111.db2.gz IKONEUMZTQMMEL-KRWDZBQOSA-N 0 3 257.377 2.523 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](COC)OC)cc1Cl ZINC000272638258 385580861 /nfs/dbraw/zinc/58/08/61/385580861.db2.gz CAUVAQSRPFFJFY-CYBMUJFWSA-N 0 3 299.798 2.656 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCN(CCOC)C1)c1ccco1 ZINC000286303768 385585498 /nfs/dbraw/zinc/58/54/98/385585498.db2.gz WVRGSUFDXURRAS-GJZGRUSLSA-N 0 3 278.396 2.597 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000272797062 385617855 /nfs/dbraw/zinc/61/78/55/385617855.db2.gz APHOKJWDUGQEEZ-CZUORRHYSA-N 0 3 293.432 2.815 20 30 CFEDHN CN(CCCN(C)c1cnccc1C#N)Cc1ccco1 ZINC000286686299 385685955 /nfs/dbraw/zinc/68/59/55/385685955.db2.gz YQJLYLQWJYIMBN-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN C=CCCCN(CCC(=O)OCC)Cc1cccnc1 ZINC000274067987 385711719 /nfs/dbraw/zinc/71/17/19/385711719.db2.gz BLGQQUMJKCCJAL-UHFFFAOYSA-N 0 3 276.380 2.803 20 30 CFEDHN C#CCN(CCC(=O)Nc1ccccc1Cl)C1CC1 ZINC000274186984 385736021 /nfs/dbraw/zinc/73/60/21/385736021.db2.gz PPROMXFHCJKJGF-UHFFFAOYSA-N 0 3 276.767 2.766 20 30 CFEDHN CN(C)[C@@H](CNc1cccnc1C#N)c1ccc(F)cc1 ZINC000274133551 385725780 /nfs/dbraw/zinc/72/57/80/385725780.db2.gz WNRONPPXHMUFPZ-INIZCTEOSA-N 0 3 284.338 2.807 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccccc2F)CC1 ZINC000639981202 385801816 /nfs/dbraw/zinc/80/18/16/385801816.db2.gz VSMRQSDIIAEYPA-OAHLLOKOSA-N 0 3 279.355 2.606 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)N1CCc2ccc(C#N)cc21 ZINC000275027746 385914631 /nfs/dbraw/zinc/91/46/31/385914631.db2.gz IDCZJPIBAAKGRY-GFCCVEGCSA-N 0 3 285.391 2.614 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000288552983 197110695 /nfs/dbraw/zinc/11/06/95/197110695.db2.gz VRDOAPFJDIUOAD-HOCLYGCPSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000274754487 385864264 /nfs/dbraw/zinc/86/42/64/385864264.db2.gz IIHGBASGPPGLTF-UHFFFAOYSA-N 0 3 290.382 2.940 20 30 CFEDHN C=CC[C@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC000275157581 385947123 /nfs/dbraw/zinc/94/71/23/385947123.db2.gz PITKQWMSMWZWQG-IRXDYDNUSA-N 0 3 286.419 2.899 20 30 CFEDHN C#CCCCC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000277046761 386115370 /nfs/dbraw/zinc/11/53/70/386115370.db2.gz PUNKABQSDKXQEW-UHFFFAOYSA-N 0 3 299.418 2.571 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2COc3ccccc32)s1 ZINC000288417534 197073019 /nfs/dbraw/zinc/07/30/19/197073019.db2.gz AUQIBRWJVJUBPX-NSHDSACASA-N 0 3 270.357 2.886 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1CCCC[C@H]1OC ZINC000277095328 386127900 /nfs/dbraw/zinc/12/79/00/386127900.db2.gz ZLUBAOWRLRKWKF-HUUCEWRRSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C(Cl)CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000288295211 197046249 /nfs/dbraw/zinc/04/62/49/197046249.db2.gz WMLXSSKZOPVUBA-TZMCWYRMSA-N 0 3 295.814 2.730 20 30 CFEDHN C=C(C)[C@@H](NC[C@H](C)CO)c1ccc(F)c(F)c1 ZINC000681463314 542453049 /nfs/dbraw/zinc/45/30/49/542453049.db2.gz JDYZIZVDUASBNT-IINYFYTJSA-N 0 3 255.308 2.800 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)c2cc(C)sc2C)C1=O ZINC000281221953 195156231 /nfs/dbraw/zinc/15/62/31/195156231.db2.gz OMNILAVHWVJYMA-FZMZJTMJSA-N 0 3 278.421 2.802 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2ccsc2)CC1 ZINC000681606802 542469076 /nfs/dbraw/zinc/46/90/76/542469076.db2.gz LXFOQHXIRZIVFB-CQSZACIVSA-N 0 3 251.395 2.865 20 30 CFEDHN C[C@H](NCC1=CCCOC1)c1ccc(C#N)c(F)c1 ZINC000287168822 196793905 /nfs/dbraw/zinc/79/39/05/196793905.db2.gz UMIAACNKLBFQJI-NSHDSACASA-N 0 3 260.312 2.695 20 30 CFEDHN C=CCCCN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682041670 542508793 /nfs/dbraw/zinc/50/87/93/542508793.db2.gz MKBXLGAQBYJQAT-LLVKDONJSA-N 0 3 251.292 2.996 20 30 CFEDHN C=CCCOCCNCc1ccc(OC(F)F)cc1 ZINC000120864933 262238622 /nfs/dbraw/zinc/23/86/22/262238622.db2.gz RFBPRRUYWDYYOO-UHFFFAOYSA-N 0 3 271.307 2.970 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N(CC)C[C@@H](C)C#N)C1CC1 ZINC000111226982 262258240 /nfs/dbraw/zinc/25/82/40/262258240.db2.gz PWFRKVMKPDOKFJ-SOUVJXGZSA-N 0 3 293.455 2.894 20 30 CFEDHN CC[C@H](CC#N)NC[C@H]1CCN1Cc1ccccc1 ZINC000716211269 781980712 /nfs/dbraw/zinc/98/07/12/781980712.db2.gz XGBGMWKDRLHGGU-HZPDHXFCSA-N 0 3 257.381 2.543 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1nc2ccccn2n1)C(C)C ZINC000682238570 542537068 /nfs/dbraw/zinc/53/70/68/542537068.db2.gz LUSJTYZOQWILGN-OAHLLOKOSA-N 0 3 299.422 2.840 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nccs2)n1 ZINC000179475849 260050701 /nfs/dbraw/zinc/05/07/01/260050701.db2.gz DROWSLVLLLTKMD-MRVPVSSYSA-N 0 3 292.389 2.969 20 30 CFEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@@H](C)C1CC1 ZINC001273312244 781982240 /nfs/dbraw/zinc/98/22/40/781982240.db2.gz XHIWDKNEPAPYIU-AWEZNQCLSA-N 0 3 299.418 2.542 20 30 CFEDHN C#CCOc1ccccc1CNCCC(C)(F)F ZINC000379236643 781982316 /nfs/dbraw/zinc/98/23/16/781982316.db2.gz SUFMRWXCHFRLCE-UHFFFAOYSA-N 0 3 253.292 2.834 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccns1 ZINC001085215061 781987609 /nfs/dbraw/zinc/98/76/09/781987609.db2.gz IDGBSIULVIRUBI-GHMZBOCLSA-N 0 3 299.827 2.526 20 30 CFEDHN CC(C)=Cc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240633332 781988122 /nfs/dbraw/zinc/98/81/22/781988122.db2.gz WTEKGWXLMPVUBW-LLVKDONJSA-N 0 3 273.336 2.849 20 30 CFEDHN CC[C@H]1CN(CCCOc2cccc(C#N)c2)CCCO1 ZINC000281562846 195289674 /nfs/dbraw/zinc/28/96/74/195289674.db2.gz YJFSEYAXPQDGOY-INIZCTEOSA-N 0 3 288.391 2.828 20 30 CFEDHN COc1cc(CNCCc2c(C)noc2C)ccc1C#N ZINC000281648767 195321534 /nfs/dbraw/zinc/32/15/34/195321534.db2.gz JOYKQZMUJWRKQP-UHFFFAOYSA-N 0 3 285.347 2.504 20 30 CFEDHN COc1cc(CNC[C@@H](C)c2nccs2)ccc1C#N ZINC000281694963 195340994 /nfs/dbraw/zinc/34/09/94/195340994.db2.gz NJUGXWICJMMCSF-LLVKDONJSA-N 0 3 287.388 2.917 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1Cc2cccc(O)c2C1 ZINC000429300004 533271468 /nfs/dbraw/zinc/27/14/68/533271468.db2.gz HDDCBJYQWVZBNA-HNNXBMFYSA-N 0 3 294.354 2.529 20 30 CFEDHN N#Cc1ccc2ncc(CN(CC3CC3)C3CCC3)n2c1 ZINC000355674146 130331225 /nfs/dbraw/zinc/33/12/25/130331225.db2.gz BUEYNPSOOQAPFW-UHFFFAOYSA-N 0 3 280.375 2.970 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000342246686 130370462 /nfs/dbraw/zinc/37/04/62/130370462.db2.gz KYBLYHQRMGRLSL-RNCFNFMXSA-N 0 3 276.771 2.501 20 30 CFEDHN C[C@](CO)(CNCc1ccc(C#N)s1)c1ccccc1 ZINC000342222397 130394462 /nfs/dbraw/zinc/39/44/62/130394462.db2.gz LNEMRQVUAUDKJD-MRXNPFEDSA-N 0 3 286.400 2.660 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2CCCOC2)ccc1OC ZINC000237179564 131010756 /nfs/dbraw/zinc/01/07/56/131010756.db2.gz HLEKXWHWCBEHNQ-HNNXBMFYSA-N 0 3 291.391 2.919 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(N)c3ccccc3n2)CC1 ZINC000301877065 393481058 /nfs/dbraw/zinc/48/10/58/393481058.db2.gz KOUBATBRAKSVOC-UHFFFAOYSA-N 0 3 297.406 2.664 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000178791539 393449099 /nfs/dbraw/zinc/44/90/99/393449099.db2.gz BNWGSTXOFZSLKP-GJZGRUSLSA-N 0 3 276.355 2.991 20 30 CFEDHN C/C=C/C[C@@H](CO)NC1CC(C#N)(c2ccccc2)C1 ZINC000372699702 393453747 /nfs/dbraw/zinc/45/37/47/393453747.db2.gz DGRKWPHMWDLOBH-PQJQFEAKSA-N 0 3 270.376 2.527 20 30 CFEDHN CN(CC#Cc1ccccc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000373817585 393473646 /nfs/dbraw/zinc/47/36/46/393473646.db2.gz AVGIDRKKHNOXAG-BRWVUGGUSA-N 0 3 269.388 2.783 20 30 CFEDHN C[C@@H]1C[C@]2(CCO1)CN(CCCC(C)(C)C#N)C[C@H](C)O2 ZINC000373975053 393477231 /nfs/dbraw/zinc/47/72/31/393477231.db2.gz TWUXCYCIAAPDBE-HLLBOEOZSA-N 0 3 294.439 2.975 20 30 CFEDHN CN(C)C1CN(c2cc(C#N)c3cc(Cl)ccc3n2)C1 ZINC000302003135 393485579 /nfs/dbraw/zinc/48/55/79/393485579.db2.gz JQKJMFZJKVSTBR-UHFFFAOYSA-N 0 3 286.766 2.510 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000180996070 393486974 /nfs/dbraw/zinc/48/69/74/393486974.db2.gz LZPJNXGAYXBLOX-INIZCTEOSA-N 0 3 289.423 2.815 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000302845350 393495131 /nfs/dbraw/zinc/49/51/31/393495131.db2.gz DBWLKGNSKJQHDX-HZPDHXFCSA-N 0 3 276.424 2.842 20 30 CFEDHN CN(CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000303396704 393497000 /nfs/dbraw/zinc/49/70/00/393497000.db2.gz IBPSZPGMWGTCSP-UHFFFAOYSA-N 0 3 266.344 2.649 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000304118672 393498527 /nfs/dbraw/zinc/49/85/27/393498527.db2.gz PNKKXKSBARPZHA-LBPRGKRZSA-N 0 3 289.297 2.563 20 30 CFEDHN CN(C)Cc1cccc(CNC(=O)c2cccc(C#N)c2)c1 ZINC000033084005 393516445 /nfs/dbraw/zinc/51/64/45/393516445.db2.gz CPDZOUSXJPBCOH-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC000329484550 393537558 /nfs/dbraw/zinc/53/75/58/393537558.db2.gz QNUIDQWDRPDBBT-CYBMUJFWSA-N 0 3 286.379 2.742 20 30 CFEDHN C=C(C)CN(CCn1ccccc1=O)Cc1ccccc1 ZINC000684208391 542776968 /nfs/dbraw/zinc/77/69/68/542776968.db2.gz MLNTXCNQMFLMHR-UHFFFAOYSA-N 0 3 282.387 2.927 20 30 CFEDHN CC(C)(O)CN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000189863194 393576018 /nfs/dbraw/zinc/57/60/18/393576018.db2.gz XYZILEXWADTANO-UHFFFAOYSA-N 0 3 277.795 2.927 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCN(C3CCCCC3)CC2)C1 ZINC000334205618 393579725 /nfs/dbraw/zinc/57/97/25/393579725.db2.gz YCZMCGNEWLUXPD-GDBMZVCRSA-N 0 3 261.413 2.629 20 30 CFEDHN CC(C)[C@H](C(=O)N1CCC(C)(C#N)CC1)N1CCCCC1 ZINC000334243480 393584553 /nfs/dbraw/zinc/58/45/53/393584553.db2.gz YOIJBQCKMUYAST-OAHLLOKOSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCCCCC1 ZINC000048392816 393588928 /nfs/dbraw/zinc/58/89/28/393588928.db2.gz HEUJBNODTSMHLB-INIZCTEOSA-N 0 3 279.428 2.695 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000334298292 393591402 /nfs/dbraw/zinc/59/14/02/393591402.db2.gz NWMXHDBWKCFMLY-JGVFFNPUSA-N 0 3 299.143 2.925 20 30 CFEDHN C[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000063309265 393629787 /nfs/dbraw/zinc/62/97/87/393629787.db2.gz ZBKKZBSXPWAIFV-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN N#Cc1ccc(CN(CCC2(O)CCC2)C2CC2)cc1 ZINC000411193567 393682523 /nfs/dbraw/zinc/68/25/23/393682523.db2.gz OFMAXLJZLAAGDY-UHFFFAOYSA-N 0 3 270.376 2.828 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000072018968 393642627 /nfs/dbraw/zinc/64/26/27/393642627.db2.gz LFPWYRQLYWPIAN-OAHLLOKOSA-N 0 3 278.371 2.805 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(CC#N)cc1 ZINC000411639916 393734035 /nfs/dbraw/zinc/73/40/35/393734035.db2.gz JUIFPTXJXZEMAG-UHFFFAOYSA-N 0 3 271.408 2.692 20 30 CFEDHN C=CCN(C)CCN(CC)C[C@@H](OC)c1ccccc1 ZINC000411646985 393734999 /nfs/dbraw/zinc/73/49/99/393734999.db2.gz NGXWVZHTFPAKCE-QGZVFWFLSA-N 0 3 276.424 2.814 20 30 CFEDHN CCOC(=O)C(C)(C)C1CCN([C@H](C)CCC#N)CC1 ZINC000411717962 393741567 /nfs/dbraw/zinc/74/15/67/393741567.db2.gz IPYIYPFGLBHTEB-CYBMUJFWSA-N 0 3 280.412 2.980 20 30 CFEDHN N#CC1(CCN2CCC(F)(F)[C@@H](CO)C2)CCCCC1 ZINC000411750413 393744596 /nfs/dbraw/zinc/74/45/96/393744596.db2.gz YXCIUOGYHNAXLK-CYBMUJFWSA-N 0 3 286.366 2.800 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000335725412 393693721 /nfs/dbraw/zinc/69/37/21/393693721.db2.gz AFJHTANOBIYEIR-IUODEOHRSA-N 0 3 271.364 2.576 20 30 CFEDHN COc1cccc([C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000335724339 393693802 /nfs/dbraw/zinc/69/38/02/393693802.db2.gz CZWNMIQZDPTIKC-FZMZJTMJSA-N 0 3 258.321 2.518 20 30 CFEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000335729449 393694584 /nfs/dbraw/zinc/69/45/84/393694584.db2.gz IFVFXKHEIVOSOR-DOMZBBRYSA-N 0 3 296.374 2.879 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)C[C@H]1C ZINC000412020123 393759521 /nfs/dbraw/zinc/75/95/21/393759521.db2.gz HNTXNWCBQXOQKC-KGLIPLIRSA-N 0 3 291.439 2.838 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000412018366 393759750 /nfs/dbraw/zinc/75/97/50/393759750.db2.gz BGIOBWNJEYGWNA-XJKCOSOUSA-N 0 3 279.428 2.550 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411978734 393759821 /nfs/dbraw/zinc/75/98/21/393759821.db2.gz BTPHOCQWYOCTLP-WMZOPIPTSA-N 0 3 288.435 2.520 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411991134 393760199 /nfs/dbraw/zinc/76/01/99/393760199.db2.gz UBKGUFQDTMJQMR-RDJZCZTQSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(CC)CN1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338335170 393781798 /nfs/dbraw/zinc/78/17/98/393781798.db2.gz VZRQCDVFFAYHQZ-QGZVFWFLSA-N 0 3 259.393 2.979 20 30 CFEDHN C[C@H](C(=O)N(CC#N)C1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000413476729 393784388 /nfs/dbraw/zinc/78/43/88/393784388.db2.gz FMPHGVBHFHCHIA-HZSPNIEDSA-N 0 3 277.412 2.542 20 30 CFEDHN CC[C@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000413535608 393785189 /nfs/dbraw/zinc/78/51/89/393785189.db2.gz DWGLDAXWVBSGOZ-ZACQAIPSSA-N 0 3 299.418 2.625 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C12CCCN1CCC2 ZINC000413980054 393793380 /nfs/dbraw/zinc/79/33/80/393793380.db2.gz BZNAVQJLMVSHAT-KRWDZBQOSA-N 0 3 298.430 2.918 20 30 CFEDHN C=CC[C@H](C)NCc1cc(C(=O)OC)c(CC)o1 ZINC000338941688 393805556 /nfs/dbraw/zinc/80/55/56/393805556.db2.gz LQANITVKESPEFN-JTQLQIEISA-N 0 3 251.326 2.683 20 30 CFEDHN COc1ccc2c(c1)CCC[C@H]2N(C)CCOCCC#N ZINC000338937579 393805812 /nfs/dbraw/zinc/80/58/12/393805812.db2.gz ZYNBXSGNAXQYTL-QGZVFWFLSA-N 0 3 288.391 2.935 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000339069735 393814950 /nfs/dbraw/zinc/81/49/50/393814950.db2.gz VECZEZCFVMXLHU-SLEUVZQESA-N 0 3 283.375 2.914 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000342846084 393871637 /nfs/dbraw/zinc/87/16/37/393871637.db2.gz ICRJFEINIDWEAG-GJZGRUSLSA-N 0 3 281.444 2.762 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCCN1CC1(C#N)CC1 ZINC000343318433 393883792 /nfs/dbraw/zinc/88/37/92/393883792.db2.gz XQLCRTQJGSWCJN-INIZCTEOSA-N 0 3 283.419 2.887 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nccc(C#N)c1Cl ZINC000343616056 393888350 /nfs/dbraw/zinc/88/83/50/393888350.db2.gz UCSDGOSWXDJMNF-WCQYABFASA-N 0 3 290.798 2.670 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC(C)(C(C)C)CC1 ZINC000426777623 393889431 /nfs/dbraw/zinc/88/94/31/393889431.db2.gz OXQIIKOXOVMZOF-UHFFFAOYSA-N 0 3 278.440 2.945 20 30 CFEDHN N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000113710759 393897352 /nfs/dbraw/zinc/89/73/52/393897352.db2.gz OBNNEOGYNAKNQM-GFCCVEGCSA-N 0 3 285.234 2.619 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000113710759 393897355 /nfs/dbraw/zinc/89/73/55/393897355.db2.gz OBNNEOGYNAKNQM-GFCCVEGCSA-N 0 3 285.234 2.619 20 30 CFEDHN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(C)C#N)C2)cc1 ZINC000428315706 393898052 /nfs/dbraw/zinc/89/80/52/393898052.db2.gz OTLGSZYDZCTRPE-UMVBOHGHSA-N 0 3 256.349 2.859 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000345682510 393913650 /nfs/dbraw/zinc/91/36/50/393913650.db2.gz ZMEGFQUFJSIXQV-STQMWFEESA-N 0 3 274.389 2.787 20 30 CFEDHN CO[C@@H]1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000471778224 393914110 /nfs/dbraw/zinc/91/41/10/393914110.db2.gz DHNRSSTZQOLAPG-RAIGVLPGSA-N 0 3 262.328 2.915 20 30 CFEDHN CCCCCNC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345710003 393914128 /nfs/dbraw/zinc/91/41/28/393914128.db2.gz CHVRYRBODNEQAF-UHFFFAOYSA-N 0 3 293.455 2.945 20 30 CFEDHN C=CCC[C@H](CC)NCc1ccc(S(C)(=O)=O)s1 ZINC000345482384 393909671 /nfs/dbraw/zinc/90/96/71/393909671.db2.gz JXMJOTVNJVTVQF-NSHDSACASA-N 0 3 287.450 2.986 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000345732784 393914921 /nfs/dbraw/zinc/91/49/21/393914921.db2.gz VKLDBXSXLXMWJC-GFCCVEGCSA-N 0 3 266.385 2.590 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(OC2CCCCC2)c1 ZINC000345745978 393916115 /nfs/dbraw/zinc/91/61/15/393916115.db2.gz FVBHEASENJNVBC-LBPRGKRZSA-N 0 3 287.363 2.569 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000684630290 542840110 /nfs/dbraw/zinc/84/01/10/542840110.db2.gz INLHRUIVWLWFNR-JKSUJKDBSA-N 0 3 263.356 2.726 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nn(C)c2ccccc12 ZINC000684767946 542851154 /nfs/dbraw/zinc/85/11/54/542851154.db2.gz VKEXFRLDQWTPIF-SUMWQHHRSA-N 0 3 285.391 2.644 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346251350 393924435 /nfs/dbraw/zinc/92/44/35/393924435.db2.gz ZAZPXEGQZNXIMH-RRFJBIMHSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N(CC)CCN1CCCCCC1 ZINC000346308695 393926069 /nfs/dbraw/zinc/92/60/69/393926069.db2.gz WOUIQURRGXXNHM-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)c(C)c1)CC2 ZINC000487879209 394027133 /nfs/dbraw/zinc/02/71/33/394027133.db2.gz QKFXYSLEAOEQKX-INIZCTEOSA-N 0 3 298.386 2.642 20 30 CFEDHN COCCN(Cc1ccccn1)CC(C)(C)CCC#N ZINC000349063517 393962076 /nfs/dbraw/zinc/96/20/76/393962076.db2.gz PYTWDKXEVKVYRJ-UHFFFAOYSA-N 0 3 275.396 2.860 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C2CC2)C2CC2)CC1 ZINC000122034480 393963036 /nfs/dbraw/zinc/96/30/36/393963036.db2.gz QYZWGXHYYODVQV-UHFFFAOYSA-N 0 3 276.424 2.579 20 30 CFEDHN COC[C@H](Cc1ccccc1)N[C@@H]1CC[C@@H](C#N)C1 ZINC000349338725 393968147 /nfs/dbraw/zinc/96/81/47/393968147.db2.gz AEMMYAQNZJVACB-OAGGEKHMSA-N 0 3 258.365 2.526 20 30 CFEDHN CCC1(O)CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000266571986 393982297 /nfs/dbraw/zinc/98/22/97/393982297.db2.gz DMDOGDBWTBFEFR-ZDUSSCGKSA-N 0 3 258.365 2.856 20 30 CFEDHN CC(C)[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1C ZINC000487105863 393984100 /nfs/dbraw/zinc/98/41/00/393984100.db2.gz WOZVRCKCRMMEHB-HNNXBMFYSA-N 0 3 277.799 2.988 20 30 CFEDHN C=CC[C@@H](C)NCc1ccc(Br)cn1 ZINC000124241288 393992370 /nfs/dbraw/zinc/99/23/70/393992370.db2.gz HDTBCRJUBNSRBD-SECBINFHSA-N 0 3 255.159 2.898 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC)c1cccc(Cl)c1 ZINC000125273940 394005091 /nfs/dbraw/zinc/00/50/91/394005091.db2.gz AVJOHAOMQQFYFT-ZDUSSCGKSA-N 0 3 266.772 2.683 20 30 CFEDHN C=CCC[C@@H](O)CN(CC)Cc1ccc(OC)cc1OC ZINC000351644788 394005766 /nfs/dbraw/zinc/00/57/66/394005766.db2.gz LLOVHLQTBROEBO-OAHLLOKOSA-N 0 3 293.407 2.853 20 30 CFEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353259302 394026969 /nfs/dbraw/zinc/02/69/69/394026969.db2.gz DXTYWDKSQDGMBM-HZPDHXFCSA-N 0 3 258.365 2.806 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000274147973 394039993 /nfs/dbraw/zinc/03/99/93/394039993.db2.gz FLQOVXYFXXILPX-AGIUHOORSA-N 0 3 274.364 2.797 20 30 CFEDHN N#CC(C(=O)c1cccc(Cl)c1)c1ccncn1 ZINC000354462873 394047165 /nfs/dbraw/zinc/04/71/65/394047165.db2.gz IQFQMJXZLSWZJT-LLVKDONJSA-N 0 3 257.680 2.620 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000491338670 394048813 /nfs/dbraw/zinc/04/88/13/394048813.db2.gz KLMRSKONZPRNOK-VYDXJSESSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1cc(C)ccc1C ZINC000491407397 394050224 /nfs/dbraw/zinc/05/02/24/394050224.db2.gz RCKMIMHHSJAGRX-UHFFFAOYSA-N 0 3 289.448 2.545 20 30 CFEDHN C#CCN(CCO[C@@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000491694848 394056467 /nfs/dbraw/zinc/05/64/67/394056467.db2.gz LVWOCIOIYCXENB-YOEHRIQHSA-N 0 3 268.360 2.538 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC000355407759 394064670 /nfs/dbraw/zinc/06/46/70/394064670.db2.gz VEGXVQAMOKETDZ-ZDUSSCGKSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2)C2CCC2)C1=O ZINC000281897571 394090264 /nfs/dbraw/zinc/09/02/64/394090264.db2.gz FKZGUPWSJKOADY-DLBZAZTESA-N 0 3 284.403 2.904 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000438984260 394092882 /nfs/dbraw/zinc/09/28/82/394092882.db2.gz DQRPAMADWYTOAE-HUUCEWRRSA-N 0 3 299.418 2.859 20 30 CFEDHN N#Cc1ccc(CN(CCO)C2CCC2)c(OC(F)F)c1 ZINC000439281857 394110094 /nfs/dbraw/zinc/11/00/94/394110094.db2.gz HMWQEJKKJBMNPA-UHFFFAOYSA-N 0 3 296.317 2.506 20 30 CFEDHN CC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000439290900 394111376 /nfs/dbraw/zinc/11/13/76/394111376.db2.gz ARCCEXOFZIPICI-OAHLLOKOSA-N 0 3 278.783 2.949 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccccc2C)C1=O ZINC000282037536 394114514 /nfs/dbraw/zinc/11/45/14/394114514.db2.gz QRUFJCZMZWXUDY-DLBZAZTESA-N 0 3 284.403 2.919 20 30 CFEDHN CN(Cc1ccc(C#N)cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000439445275 394115907 /nfs/dbraw/zinc/11/59/07/394115907.db2.gz BUEHPZHPZUNCFI-OAHLLOKOSA-N 0 3 289.810 2.880 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2C)CC1 ZINC000358974403 394118330 /nfs/dbraw/zinc/11/83/30/394118330.db2.gz IDQPOUGTMHUHRK-CABCVRRESA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H]1c1ccc(C)s1 ZINC000359093700 394123517 /nfs/dbraw/zinc/12/35/17/394123517.db2.gz HIJITAUWUMZVNQ-OLZOCXBDSA-N 0 3 278.421 2.884 20 30 CFEDHN C=CCCCC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000359191683 394126666 /nfs/dbraw/zinc/12/66/66/394126666.db2.gz JAMTWCDDSNHOLL-KBPBESRZSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1ncnn1C(C)(C)C ZINC000282765163 394127219 /nfs/dbraw/zinc/12/72/19/394127219.db2.gz OMCQTDHVYNZXAD-NWDGAFQWSA-N 0 3 250.390 2.723 20 30 CFEDHN C=CCC[C@@H](CC)NCc1ncnn1C(C)(C)C ZINC000282898191 394127889 /nfs/dbraw/zinc/12/78/89/394127889.db2.gz WOBRYJIKEPQTSO-GFCCVEGCSA-N 0 3 250.390 2.868 20 30 CFEDHN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)C(C)C#N)cc2)n1 ZINC000359329881 394130033 /nfs/dbraw/zinc/13/00/33/394130033.db2.gz MNGRNEYDDORJDY-SMDDNHRTSA-N 0 3 296.374 2.826 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)CC1(C)COC1 ZINC000441289381 394137300 /nfs/dbraw/zinc/13/73/00/394137300.db2.gz UTPPVNFBQNIXAC-UHFFFAOYSA-N 0 3 256.349 2.583 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CCO)CC1 ZINC000421020687 394161310 /nfs/dbraw/zinc/16/13/10/394161310.db2.gz RPEFOTNYOBDURH-AWEZNQCLSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](O)C2(C)C)cc1 ZINC000361053927 394163694 /nfs/dbraw/zinc/16/36/94/394163694.db2.gz SGOJHXMLHKNQQD-HNNXBMFYSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000361154906 394166734 /nfs/dbraw/zinc/16/67/34/394166734.db2.gz RMIGEGNNCMBPBM-GXTWGEPZSA-N 0 3 256.353 2.838 20 30 CFEDHN C=CCC[C@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000361154906 394166737 /nfs/dbraw/zinc/16/67/37/394166737.db2.gz RMIGEGNNCMBPBM-GXTWGEPZSA-N 0 3 256.353 2.838 20 30 CFEDHN COCCN(CCCCF)Cc1ccc(C#N)cc1 ZINC000285927440 394166887 /nfs/dbraw/zinc/16/68/87/394166887.db2.gz IMQPHZZJOZFWPS-UHFFFAOYSA-N 0 3 264.344 2.756 20 30 CFEDHN CC1(C)CCCN(CCNCc2ccc(C#N)c(F)c2)C1 ZINC000421373811 394207319 /nfs/dbraw/zinc/20/73/19/394207319.db2.gz CRDUSEPEOIWVNM-UHFFFAOYSA-N 0 3 289.398 2.909 20 30 CFEDHN C#CCOc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1 ZINC000291028286 394236367 /nfs/dbraw/zinc/23/63/67/394236367.db2.gz BABBKBGOTREXGY-INIZCTEOSA-N 0 3 273.376 2.698 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000133950260 394185870 /nfs/dbraw/zinc/18/58/70/394185870.db2.gz CIBSJFCGWLUCHU-KBPBESRZSA-N 0 3 256.349 2.799 20 30 CFEDHN C=CCC[C@@H](NC[C@H](COC)OC)c1ccco1 ZINC000286311878 394195279 /nfs/dbraw/zinc/19/52/79/394195279.db2.gz XNXOPTXTTGTDEY-CHWSQXEVSA-N 0 3 253.342 2.538 20 30 CFEDHN C=CCC[C@@H](O)CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000151348480 394261779 /nfs/dbraw/zinc/26/17/79/394261779.db2.gz RENRQVZRZHSHNS-QZTJIDSGSA-N 0 3 289.419 2.647 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(SC)c(OC)c1 ZINC000449519425 394280798 /nfs/dbraw/zinc/28/07/98/394280798.db2.gz MOEGNTDCKPQZTK-OLZOCXBDSA-N 0 3 279.405 2.850 20 30 CFEDHN N#Cc1cccc(N2CCN(CCC3=CCCCC3)CC2)n1 ZINC000450747691 394334084 /nfs/dbraw/zinc/33/40/84/394334084.db2.gz QAQFUXDNAYXDJM-UHFFFAOYSA-N 0 3 296.418 2.966 20 30 CFEDHN C=CCN(C)Cc1ccc(Oc2cnccn2)cc1 ZINC000154785279 394302492 /nfs/dbraw/zinc/30/24/92/394302492.db2.gz WPFBHFKSSWXOPX-UHFFFAOYSA-N 0 3 255.321 2.887 20 30 CFEDHN C#CCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000372231962 394308491 /nfs/dbraw/zinc/30/84/91/394308491.db2.gz FADCGLNXZNKJIA-AWEZNQCLSA-N 0 3 257.333 2.618 20 30 CFEDHN C=C[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000155728921 394321979 /nfs/dbraw/zinc/32/19/79/394321979.db2.gz WGXQVVDGKVXIOO-CYBMUJFWSA-N 0 3 258.365 2.587 20 30 CFEDHN CC#CCCN1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000155993829 394327306 /nfs/dbraw/zinc/32/73/06/394327306.db2.gz GTFDFLHDJAGDNQ-CQSZACIVSA-N 0 3 273.376 2.907 20 30 CFEDHN CC#CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000156626381 394336068 /nfs/dbraw/zinc/33/60/68/394336068.db2.gz AECAJAHHOPLCOO-MRXNPFEDSA-N 0 3 273.376 2.787 20 30 CFEDHN CC#CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000156626381 394336072 /nfs/dbraw/zinc/33/60/72/394336072.db2.gz AECAJAHHOPLCOO-MRXNPFEDSA-N 0 3 273.376 2.787 20 30 CFEDHN C=CCCCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000156668358 394337372 /nfs/dbraw/zinc/33/73/72/394337372.db2.gz LAZSFRDELOYHDE-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN N#Cc1ccc(N2CC[C@@H](OCCN3CCCCC3)C2)cc1 ZINC000165673876 394369825 /nfs/dbraw/zinc/36/98/25/394369825.db2.gz MXJGKLREMHOGMD-GOSISDBHSA-N 0 3 299.418 2.639 20 30 CFEDHN N#C[C@@H]1CC[C@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000516706551 394370138 /nfs/dbraw/zinc/37/01/38/394370138.db2.gz ZQKDBCSPZCWHEQ-PBHICJAKSA-N 0 3 299.418 2.747 20 30 CFEDHN CC(C)(CC#N)CNC[C@@H](O)COc1ccccc1Cl ZINC000520220275 394378354 /nfs/dbraw/zinc/37/83/54/394378354.db2.gz XERBDJNGJHXHLF-GFCCVEGCSA-N 0 3 296.798 2.609 20 30 CFEDHN N#Cc1ccncc1NC[C@@H]1CCN1C1CCCCC1 ZINC000528119993 394393892 /nfs/dbraw/zinc/39/38/92/394393892.db2.gz YMLPGHPCUVHHDP-HNNXBMFYSA-N 0 3 270.380 2.772 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000526941792 394384595 /nfs/dbraw/zinc/38/45/95/394384595.db2.gz QKKNCPFCCBEASN-GOEBONIOSA-N 0 3 294.402 2.917 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC(C)(O)CC1 ZINC000178546534 394389272 /nfs/dbraw/zinc/38/92/72/394389272.db2.gz XHJKXRYYMCFXLI-UHFFFAOYSA-N 0 3 272.392 2.835 20 30 CFEDHN C[C@@]1(CNCc2cccc(C#N)c2)COc2ccccc2O1 ZINC000527733949 394402007 /nfs/dbraw/zinc/40/20/07/394402007.db2.gz HSBMSMJXUUPLNL-GOSISDBHSA-N 0 3 294.354 2.878 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC[C@H]2CCN2C2CCCC2)n1 ZINC000528206643 394402109 /nfs/dbraw/zinc/40/21/09/394402109.db2.gz CZNBJHXACRXGKX-OAHLLOKOSA-N 0 3 284.407 2.999 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(C#N)cc1F ZINC000527803223 394409331 /nfs/dbraw/zinc/40/93/31/394409331.db2.gz DKUFGIBUQHSNHI-JNIYBQFBSA-N 0 3 262.328 2.599 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000527804510 394410131 /nfs/dbraw/zinc/41/01/31/394410131.db2.gz QKGXUKLEDLQCQN-ZVXAKGHKSA-N 0 3 262.328 2.599 20 30 CFEDHN Cn1ccc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527812247 394411917 /nfs/dbraw/zinc/41/19/17/394411917.db2.gz ROJPKOAVUSNLOU-UHFFFAOYSA-N 0 3 295.386 2.692 20 30 CFEDHN C[C@H](NCC12CC(C1)CO2)c1ccc(C#N)c(F)c1 ZINC000527979168 394434903 /nfs/dbraw/zinc/43/49/03/394434903.db2.gz JPVZMZDSKVGYHR-NLTNOIMHSA-N 0 3 260.312 2.527 20 30 CFEDHN C[C@@H](NCC12CC(C1)CO2)c1ccc(C#N)cc1F ZINC000527981992 394435172 /nfs/dbraw/zinc/43/51/72/394435172.db2.gz PPDVAJDJFMRNAR-CKQAKLJMSA-N 0 3 260.312 2.527 20 30 CFEDHN C=CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000537628441 394588069 /nfs/dbraw/zinc/58/80/69/394588069.db2.gz JNKXJPXCAXOAKE-UHFFFAOYSA-N 0 3 286.354 2.804 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)CCN(C)c1ccncc1 ZINC000542784258 394713678 /nfs/dbraw/zinc/71/36/78/394713678.db2.gz ZPGQKZHAOJRZSN-UHFFFAOYSA-N 0 3 294.358 2.727 20 30 CFEDHN Cc1ccc([C@@H](CNc2ccncc2C#N)N2CCCC2)o1 ZINC000547824893 394893204 /nfs/dbraw/zinc/89/32/04/394893204.db2.gz WWIVSYNEIUIZKC-MRXNPFEDSA-N 0 3 296.374 2.526 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccncc2)C1 ZINC000555879021 394985665 /nfs/dbraw/zinc/98/56/65/394985665.db2.gz UKPIEWMTHUVPJA-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN C=CCN[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000179785540 543007918 /nfs/dbraw/zinc/00/79/18/543007918.db2.gz MUVLWIUGBIBTAD-LBPRGKRZSA-N 0 3 265.353 2.557 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2cnccc2c1 ZINC000648745608 395295241 /nfs/dbraw/zinc/29/52/41/395295241.db2.gz NIRURQZZSJUMTM-CVEARBPZSA-N 0 3 254.333 2.668 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccccc1N1CCCC1 ZINC000649222466 395454359 /nfs/dbraw/zinc/45/43/59/395454359.db2.gz LNXPSJGJDXQDOJ-KRWDZBQOSA-N 0 3 274.408 2.656 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCOc1ccccc1Cl ZINC000649222742 395454510 /nfs/dbraw/zinc/45/45/10/395454510.db2.gz UVCQKPFVVTVQAJ-CYBMUJFWSA-N 0 3 269.772 2.588 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCCOc1ccc(Cl)cc1 ZINC000649253316 395461703 /nfs/dbraw/zinc/46/17/03/395461703.db2.gz VCADCXMGYYDRRO-OAHLLOKOSA-N 0 3 283.799 2.978 20 30 CFEDHN C=C(C)CCN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649827228 395577265 /nfs/dbraw/zinc/57/72/65/395577265.db2.gz KOXKPNIHLIWONS-QGZVFWFLSA-N 0 3 258.409 2.811 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1cc(C)ccc1C ZINC000046342197 397580885 /nfs/dbraw/zinc/58/08/85/397580885.db2.gz JVILRLRLMKSXLW-INIZCTEOSA-N 0 3 277.408 2.941 20 30 CFEDHN COC[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000307764001 397645527 /nfs/dbraw/zinc/64/55/27/397645527.db2.gz KTRIWKIOBUBOID-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccc(F)cc1 ZINC000652180850 397720570 /nfs/dbraw/zinc/72/05/70/397720570.db2.gz IEITUWLHKLWOIP-HNNXBMFYSA-N 0 3 278.371 2.805 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H]3CN(C)C[C@H]32)CCCCC1 ZINC000650511687 397817669 /nfs/dbraw/zinc/81/76/69/397817669.db2.gz DQALUFJNZVCFSA-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000663447155 413207070 /nfs/dbraw/zinc/20/70/70/413207070.db2.gz DXNQCUMUZHMJFY-INIZCTEOSA-N 0 3 289.423 2.727 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000660281038 413216507 /nfs/dbraw/zinc/21/65/07/413216507.db2.gz SUKSTSFIPIABQH-AWEZNQCLSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000660397192 413287558 /nfs/dbraw/zinc/28/75/58/413287558.db2.gz XXJAHCFMXSWRBV-INIZCTEOSA-N 0 3 293.455 2.716 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)N1CCCC[C@@H]1C ZINC000343275333 154164695 /nfs/dbraw/zinc/16/46/95/154164695.db2.gz HMXNZUUVUZMXON-STQMWFEESA-N 0 3 277.437 2.972 20 30 CFEDHN CO[C@]1(C)CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000348203149 154361163 /nfs/dbraw/zinc/36/11/63/154361163.db2.gz AAXXDYNJAGXHHR-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN Cc1cc(CN(CCO)[C@@H]2CCCSC2)ccc1C#N ZINC000355528714 155032483 /nfs/dbraw/zinc/03/24/83/155032483.db2.gz HWDZKDNOCRSCFX-MRXNPFEDSA-N 0 3 290.432 2.557 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3C3CC3)o2)cc1 ZINC000363573742 156183426 /nfs/dbraw/zinc/18/34/26/156183426.db2.gz WHYWJPVPULREGO-OAHLLOKOSA-N 0 3 294.358 2.983 20 30 CFEDHN Cc1cc(CNC2CCN(c3ccc(C#N)cc3)CC2)on1 ZINC000367607807 156361320 /nfs/dbraw/zinc/36/13/20/156361320.db2.gz PIOVLCOBWJSWGQ-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN Cc1nsc(NC2CC(N3CCCCC3)C2)c1C#N ZINC000367819564 156392666 /nfs/dbraw/zinc/39/26/66/156392666.db2.gz RWYUTCKHAHUJRA-UHFFFAOYSA-N 0 3 276.409 2.752 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000373819274 157034328 /nfs/dbraw/zinc/03/43/28/157034328.db2.gz WWMZVNTXHVNXMU-BMFZPTHFSA-N 0 3 288.366 2.943 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccccc2C#N)C1 ZINC000375105682 157197108 /nfs/dbraw/zinc/19/71/08/157197108.db2.gz OHJOGUPDXOZUQD-CQSZACIVSA-N 0 3 258.365 2.807 20 30 CFEDHN N#Cc1cccc(C#N)c1N[C@H]1CCN(C2CCCC2)C1 ZINC000375512185 157251922 /nfs/dbraw/zinc/25/19/22/157251922.db2.gz HOIVGOXDMROBPS-HNNXBMFYSA-N 0 3 280.375 2.859 20 30 CFEDHN C=CCCn1cc(CN2CCC[C@@H]2CC(C)C)nn1 ZINC000653527117 413351158 /nfs/dbraw/zinc/35/11/58/413351158.db2.gz YMVTVBKMNJPZBX-OAHLLOKOSA-N 0 3 262.401 2.865 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)co1 ZINC001085303541 782010589 /nfs/dbraw/zinc/01/05/89/782010589.db2.gz PDFIGYWDVIWUGV-CHWSQXEVSA-N 0 3 296.798 2.971 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)C2CCCCC2)nn1 ZINC000653599325 413395622 /nfs/dbraw/zinc/39/56/22/413395622.db2.gz IQCLRALRAUIRLA-CYBMUJFWSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@@H]2CC)nn1 ZINC000653620706 413408982 /nfs/dbraw/zinc/40/89/82/413408982.db2.gz VQHJQPLRDVBTHR-DZGCQCFKSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)nn1 ZINC000653620717 413409104 /nfs/dbraw/zinc/40/91/04/413409104.db2.gz VSTXWAPKKDABLE-VNHYZAJKSA-N 0 3 262.401 2.769 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1cc(C#N)cs1 ZINC000344363277 162024546 /nfs/dbraw/zinc/02/45/46/162024546.db2.gz SUMKFFPSBACKIX-CHWSQXEVSA-N 0 3 250.367 2.667 20 30 CFEDHN CO[C@H](CCNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000344867807 162136966 /nfs/dbraw/zinc/13/69/66/162136966.db2.gz QMRIQSQQZUCCPH-GFCCVEGCSA-N 0 3 290.260 2.754 20 30 CFEDHN CCN1C[C@H](C)N(c2ccc(Cl)c(C#N)n2)C[C@@H]1C ZINC000345168402 162192213 /nfs/dbraw/zinc/19/22/13/162192213.db2.gz FNVLTIOPDXQHGJ-QWRGUYRKSA-N 0 3 278.787 2.526 20 30 CFEDHN C[C@H](NCCNc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000346182900 162346539 /nfs/dbraw/zinc/34/65/39/162346539.db2.gz JZCIIFIYVRTNMG-LBPRGKRZSA-N 0 3 284.338 2.855 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000346202300 162352056 /nfs/dbraw/zinc/35/20/56/162352056.db2.gz YFQIXUWNIATLNE-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCCn1cc(CNCC2CCC(C)CC2)nn1 ZINC000657326434 413451276 /nfs/dbraw/zinc/45/12/76/413451276.db2.gz DBQWSICROCWSQY-UHFFFAOYSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@@H]2C)nn1 ZINC000657329402 413456062 /nfs/dbraw/zinc/45/60/62/413456062.db2.gz QLADUIXQKHKNHF-KBPBESRZSA-N 0 3 262.401 2.770 20 30 CFEDHN C[C@@H](CN(C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000351600897 163153951 /nfs/dbraw/zinc/15/39/51/163153951.db2.gz ZGLRUPAJGXZAPG-ZDUSSCGKSA-N 0 3 288.391 2.968 20 30 CFEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cccc(C#N)c4F)[C@H]1[C@H]3C2 ZINC000352675418 163221602 /nfs/dbraw/zinc/22/16/02/163221602.db2.gz DWFVQRBMRKTJGD-CUINURIISA-N 0 3 286.350 2.553 20 30 CFEDHN CC(C)[C@@H](CNCc1nc(C#N)cs1)c1cccnc1 ZINC000352824120 163242737 /nfs/dbraw/zinc/24/27/37/163242737.db2.gz CPXDHMKRHGUBHS-CQSZACIVSA-N 0 3 286.404 2.939 20 30 CFEDHN C[C@H](CCCO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352822001 163243813 /nfs/dbraw/zinc/24/38/13/163243813.db2.gz CCIMWDSCHPBBEL-SNVBAGLBSA-N 0 3 286.297 2.828 20 30 CFEDHN C[C@H]1CCCN(C(C)(C)CNCc2nc(C#N)cs2)C1 ZINC000352844843 163250780 /nfs/dbraw/zinc/25/07/80/163250780.db2.gz HBWQMZWOTQWYLO-LBPRGKRZSA-N 0 3 292.452 2.615 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000352863951 163255936 /nfs/dbraw/zinc/25/59/36/163255936.db2.gz XXTPOYBULHUCBF-XJKSGUPXSA-N 0 3 299.399 2.882 20 30 CFEDHN COC1CCC(C)(CNCc2nc(C#N)cs2)CC1 ZINC000352931025 163273022 /nfs/dbraw/zinc/27/30/22/163273022.db2.gz DHCRXCNIAMTPGK-UHFFFAOYSA-N 0 3 279.409 2.700 20 30 CFEDHN N#Cc1csc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000353237738 163323616 /nfs/dbraw/zinc/32/36/16/163323616.db2.gz DRSALARODNCYQY-IAGOWNOFSA-N 0 3 298.411 2.876 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CC3CCC2CC3)nn1 ZINC000653700049 413457091 /nfs/dbraw/zinc/45/70/91/413457091.db2.gz MJHYCYFNWNXEKW-PIMMBPRGSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCCn1cc(CNCCc2ccc(C)cc2C)nn1 ZINC000657331648 413459057 /nfs/dbraw/zinc/45/90/57/413459057.db2.gz KESMZKRRLXHBBB-UHFFFAOYSA-N 0 3 284.407 2.803 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284723391 196119293 /nfs/dbraw/zinc/11/92/93/196119293.db2.gz JVQXJMJLDWKYGX-HZPDHXFCSA-N 0 3 256.349 2.702 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](COC)c1ccc(OCC)cc1 ZINC000284822699 196138753 /nfs/dbraw/zinc/13/87/53/196138753.db2.gz RDJRQJPWYDHASB-DOTOQJQBSA-N 0 3 293.407 2.690 20 30 CFEDHN C=CCCn1cc(CNC[C@H](C)c2ccc(F)cc2)nn1 ZINC000657348129 413480162 /nfs/dbraw/zinc/48/01/62/413480162.db2.gz LISMMAOUHPEWKT-ZDUSSCGKSA-N 0 3 288.370 2.887 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2nnc3n2CCCCC3)C1 ZINC000651666304 413550906 /nfs/dbraw/zinc/55/09/06/413550906.db2.gz XBTNWIOCBXSHHV-ZIAGYGMSSA-N 0 3 274.412 2.839 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285221742 196224575 /nfs/dbraw/zinc/22/45/75/196224575.db2.gz RTZTWHFSUSHRGD-QZTJIDSGSA-N 0 3 285.387 2.842 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000285221748 196225313 /nfs/dbraw/zinc/22/53/13/196225313.db2.gz RTZTWHFSUSHRGD-ROUUACIJSA-N 0 3 285.387 2.842 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC=C(c3ccco3)C2)cc1 ZINC000285293665 196243999 /nfs/dbraw/zinc/24/39/99/196243999.db2.gz KNCOFHBUQKDEQD-KRWDZBQOSA-N 0 3 294.354 2.974 20 30 CFEDHN C=CCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000664109898 413571982 /nfs/dbraw/zinc/57/19/82/413571982.db2.gz SEGQZRNEKHRWGI-AWEZNQCLSA-N 0 3 289.423 2.991 20 30 CFEDHN C=CCCn1cc(CNCC2(C)Cc3ccccc3C2)nn1 ZINC000657424327 413586742 /nfs/dbraw/zinc/58/67/42/413586742.db2.gz VDMYZPMHRRWPSI-UHFFFAOYSA-N 0 3 296.418 2.749 20 30 CFEDHN COCCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285380058 196266364 /nfs/dbraw/zinc/26/63/64/196266364.db2.gz CNJZJFYEGJXWJN-UHFFFAOYSA-N 0 3 292.354 2.577 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1 ZINC000664181771 413624740 /nfs/dbraw/zinc/62/47/40/413624740.db2.gz LHJUIOUSNABYQG-OAHLLOKOSA-N 0 3 291.439 2.659 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000664216614 413639907 /nfs/dbraw/zinc/63/99/07/413639907.db2.gz IMRLMXQXJKVYCU-STQMWFEESA-N 0 3 267.417 2.513 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@H](c2nncn2C)C(C)C)C1 ZINC000651804830 413650746 /nfs/dbraw/zinc/65/07/46/413650746.db2.gz VYBIZHPUKBYVCF-MCIONIFRSA-N 0 3 262.401 2.847 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2cccc(C)c2)nc1C ZINC000651822264 413663793 /nfs/dbraw/zinc/66/37/93/413663793.db2.gz PWLSQYBJEPKDCE-MSOLQXFVSA-N 0 3 297.402 2.922 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN(C)CCCC ZINC000660850953 413616598 /nfs/dbraw/zinc/61/65/98/413616598.db2.gz SFWWVMBNPRHJGT-GASCZTMLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C)c2nnc3n2CCC3)C1 ZINC000651755485 413617037 /nfs/dbraw/zinc/61/70/37/413617037.db2.gz PXFWCJWXUUDIST-JHJVBQTASA-N 0 3 260.385 2.620 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000660858005 413617317 /nfs/dbraw/zinc/61/73/17/413617317.db2.gz AMAAJMCWTSLZCU-FZKCQIBNSA-N 0 3 293.455 2.903 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2COC(C)(C)C2)c1 ZINC000657530962 413713212 /nfs/dbraw/zinc/71/32/12/413713212.db2.gz VENSLXWBZCRZGO-AWEZNQCLSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCCC1 ZINC000664368486 413714627 /nfs/dbraw/zinc/71/46/27/413714627.db2.gz SNHAVGVKGQDFAR-UONOGXRCSA-N 0 3 291.439 2.800 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2Cc3ccccc3[C@@H]2C)nn1 ZINC000657617063 413797162 /nfs/dbraw/zinc/79/71/62/413797162.db2.gz PCFZDIGKUBUANF-SUMWQHHRSA-N 0 3 282.391 2.672 20 30 CFEDHN C=CCC1(NCc2csc(CC)n2)CCOCC1 ZINC000657633401 413808797 /nfs/dbraw/zinc/80/87/97/413808797.db2.gz NYHDRAPQCNEOKQ-UHFFFAOYSA-N 0 3 266.410 2.920 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1C(C)(C)C ZINC000661115084 413766914 /nfs/dbraw/zinc/76/69/14/413766914.db2.gz PIJCEIPSTYTBKT-OLZOCXBDSA-N 0 3 277.416 2.653 20 30 CFEDHN C=CCCNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000657583201 413768379 /nfs/dbraw/zinc/76/83/79/413768379.db2.gz GOGLHNDIRCVSFX-UHFFFAOYSA-N 0 3 259.328 2.736 20 30 CFEDHN C=CCOCCCNCc1cc2ccccc2[nH]c1=O ZINC000657658448 413826807 /nfs/dbraw/zinc/82/68/07/413826807.db2.gz 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/nfs/dbraw/zinc/02/93/45/414029345.db2.gz FXBUYOSNUKQKFC-ZIAGYGMSSA-N 0 3 277.416 2.698 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)Cn1cccn1 ZINC000037319779 173119796 /nfs/dbraw/zinc/11/97/96/173119796.db2.gz VXAXQBRCDSREKJ-CQSZACIVSA-N 0 3 271.364 2.626 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](C2CCCCC2)C1 ZINC000661582428 414065431 /nfs/dbraw/zinc/06/54/31/414065431.db2.gz DAOMGSJSCIZDHP-DZGCQCFKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCC1(CNC(=O)N(CC)[C@H]2CCN(C)C2)CCCC1 ZINC000665049706 414070390 /nfs/dbraw/zinc/07/03/90/414070390.db2.gz NWDRQCXOLWDJEZ-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(C(F)F)nc1 ZINC000657974844 414084151 /nfs/dbraw/zinc/08/41/51/414084151.db2.gz SNBFGVQAMPFGOE-KOLCDFICSA-N 0 3 256.296 2.607 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N1CCN(C(C)(C)CC)CC1)OCC ZINC000655271265 414162166 /nfs/dbraw/zinc/16/21/66/414162166.db2.gz DKEDTBRASCGKHE-OAHLLOKOSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCOCC(=O)Nc1cnccc1NC(CC)CC ZINC000655098763 414096730 /nfs/dbraw/zinc/09/67/30/414096730.db2.gz SKWBXJDSROPUOE-UHFFFAOYSA-N 0 3 291.395 2.635 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc2cnccc2o1 ZINC000658031471 414115658 /nfs/dbraw/zinc/11/56/58/414115658.db2.gz GFBPNHRSQRLCTB-WCQYABFASA-N 0 3 260.337 2.806 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(CC=C)nn1 ZINC000658036682 414123402 /nfs/dbraw/zinc/12/34/02/414123402.db2.gz ASQSIDMTORBTQA-UKRRQHHQSA-N 0 3 260.385 2.689 20 30 CFEDHN C=CCN(CC(=O)NCc1sccc1C)C(C)(C)C ZINC000661756057 414195701 /nfs/dbraw/zinc/19/57/01/414195701.db2.gz BAEXOJCMXUINJA-UHFFFAOYSA-N 0 3 280.437 2.959 20 30 CFEDHN C[C@H](O)[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000661766231 414206013 /nfs/dbraw/zinc/20/60/13/414206013.db2.gz AHIHYYYYYMKSMB-SWLSCSKDSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000658105382 414206244 /nfs/dbraw/zinc/20/62/44/414206244.db2.gz HFROAIRXXGNNTD-FVQBIDKESA-N 0 3 284.403 2.909 20 30 CFEDHN O[C@@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000661832720 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ZINC000665394349 414322794 /nfs/dbraw/zinc/32/27/94/414322794.db2.gz JRZWXHSVYZFUHL-PMPSAXMXSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)NC1(CC(C)C)CC1 ZINC000662071941 414395206 /nfs/dbraw/zinc/39/52/06/414395206.db2.gz YKIQRYANTHWBCF-AWEZNQCLSA-N 0 3 264.413 2.744 20 30 CFEDHN C=CCCC(C)(C)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000659019956 414436160 /nfs/dbraw/zinc/43/61/60/414436160.db2.gz VPWTUODAOZQRGB-UHFFFAOYSA-N 0 3 288.395 2.594 20 30 CFEDHN C=C[C@H](CO)NCCc1cc(Cl)ccc1Cl ZINC000662168365 414439892 /nfs/dbraw/zinc/43/98/92/414439892.db2.gz CSIOOSFQIHXRIU-LLVKDONJSA-N 0 3 260.164 2.672 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccco1 ZINC000655825694 414463096 /nfs/dbraw/zinc/46/30/96/414463096.db2.gz AOJZVASPQPVBTL-CHWSQXEVSA-N 0 3 286.379 2.563 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000662079478 414398195 /nfs/dbraw/zinc/39/81/95/414398195.db2.gz GMJWKQPJQPWVEE-CAOSSQGBSA-N 0 3 276.424 2.864 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCCCC1 ZINC000662079432 414399141 /nfs/dbraw/zinc/39/91/41/414399141.db2.gz GDKICLCQQLRTNV-KFWWJZLASA-N 0 3 262.397 2.570 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000662079308 414399317 /nfs/dbraw/zinc/39/93/17/414399317.db2.gz MFYBARWASMJUQQ-YHUYYLMFSA-N 0 3 276.424 2.959 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCC(C)C ZINC000662081662 414400924 /nfs/dbraw/zinc/40/09/24/414400924.db2.gz XFILEXLZNJRVFL-KFWWJZLASA-N 0 3 264.413 2.720 20 30 CFEDHN C=CCCC[C@H](C)N1CCc2c(cccc2C(N)=O)C1 ZINC000662297614 414499662 /nfs/dbraw/zinc/49/96/62/414499662.db2.gz GSFOSRILAKGEDU-ZDUSSCGKSA-N 0 3 272.392 2.888 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000659533642 414532253 /nfs/dbraw/zinc/53/22/53/414532253.db2.gz NSVVBQGPBMTXOS-CQSZACIVSA-N 0 3 299.418 2.788 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000662857512 414622118 /nfs/dbraw/zinc/62/21/18/414622118.db2.gz 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/nfs/dbraw/zinc/09/64/16/227096416.db2.gz VTWARJVQWAEPCB-GXTWGEPZSA-N 0 3 256.349 2.798 20 30 CFEDHN O=C(NCCC1(O)CCC1)[C@H]1CCCN1C1CCCC1 ZINC000329151257 227330047 /nfs/dbraw/zinc/33/00/47/227330047.db2.gz SHPXPIZVWPYULC-CQSZACIVSA-N 0 3 280.412 2.655 20 30 CFEDHN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330021526 228018563 /nfs/dbraw/zinc/01/85/63/228018563.db2.gz XYULWXJWTGMJHD-GXFFZTMASA-N 0 3 291.395 2.723 20 30 CFEDHN C[C@H]1CCN(C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356090081 228116716 /nfs/dbraw/zinc/11/67/16/228116716.db2.gz GXIMCXTUQJLKLG-RDJZCZTQSA-N 0 3 299.418 2.627 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)s1)CC(C)C ZINC000418102103 228043557 /nfs/dbraw/zinc/04/35/57/228043557.db2.gz RILHAQBQHSRVAC-NSHDSACASA-N 0 3 252.383 2.770 20 30 CFEDHN C[C@H](NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1)c1cccs1 ZINC000330267902 228086158 /nfs/dbraw/zinc/08/61/58/228086158.db2.gz QUICAIAATCSYDN-JVLSTEMRSA-N 0 3 294.420 2.923 20 30 CFEDHN Cc1cc(C)cc([C@@H]2CCN(C(=O)C(C)C#N)C2)c1 ZINC000336173893 228203472 /nfs/dbraw/zinc/20/34/72/228203472.db2.gz FJFGTVASZJVZTI-UONOGXRCSA-N 0 3 256.349 2.779 20 30 CFEDHN Cc1nc(NCC2CN(Cc3ccccc3)C2)ccc1C#N ZINC000716232615 782034641 /nfs/dbraw/zinc/03/46/41/782034641.db2.gz ZEJLTPYETVLOSZ-UHFFFAOYSA-N 0 3 292.386 2.806 20 30 CFEDHN C=C(C)[C@H](NCC(C)(C)O)c1ccc(F)c(F)c1 ZINC000187771956 260057047 /nfs/dbraw/zinc/05/70/47/260057047.db2.gz ZIFHPBJIPTYSPL-ZDUSSCGKSA-N 0 3 255.308 2.943 20 30 CFEDHN C#CCCN(C)Cc1ccc(Br)cc1 ZINC000070159402 260152760 /nfs/dbraw/zinc/15/27/60/260152760.db2.gz HUGHNXGTQRXEFC-UHFFFAOYSA-N 0 3 252.155 2.904 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407989243 260153169 /nfs/dbraw/zinc/15/31/69/260153169.db2.gz IZHMDEMNYBPDKB-LZWOXQAQSA-N 0 3 291.439 2.551 20 30 CFEDHN CC(C)C[C@@H](CO)NC1CC(C#N)(c2ccccc2)C1 ZINC000086037440 260206773 /nfs/dbraw/zinc/20/67/73/260206773.db2.gz NIEFVLTVLGRYCM-GTPINHCMSA-N 0 3 272.392 2.607 20 30 CFEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCCC[C@@H]2O)C1 ZINC000086037954 260206819 /nfs/dbraw/zinc/20/68/19/260206819.db2.gz LYHDWYHSNWIQIZ-GMRIPVOYSA-N 0 3 270.376 2.503 20 30 CFEDHN C=CCSCC[NH2+]Cc1cccc(OCC)c1[O-] ZINC000222057169 260229447 /nfs/dbraw/zinc/22/94/47/260229447.db2.gz FHCLYTJPGUNBKC-UHFFFAOYSA-N 0 3 267.394 2.800 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CC)[C@H](O)CC ZINC000313096981 260247022 /nfs/dbraw/zinc/24/70/22/260247022.db2.gz XCZXDDQUHKNSEY-LSDHHAIUSA-N 0 3 263.381 2.891 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC[C@@H](O)c2ccsc2)C1 ZINC000127232541 260361681 /nfs/dbraw/zinc/36/16/81/260361681.db2.gz SMAIOQKOXWLVHD-AQFXKWCLSA-N 0 3 298.411 2.995 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1 ZINC000128243086 260373410 /nfs/dbraw/zinc/37/34/10/260373410.db2.gz DWJWVKLHGYRIFL-GJZGRUSLSA-N 0 3 261.365 2.500 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000129592544 260387869 /nfs/dbraw/zinc/38/78/69/260387869.db2.gz KWPPQQHTEYXQNQ-LSDHHAIUSA-N 0 3 261.365 2.500 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000248915370 261217189 /nfs/dbraw/zinc/21/71/89/261217189.db2.gz ZNPSRPVYZZVWBC-AZUAARDMSA-N 0 3 294.442 2.987 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249377856 261250618 /nfs/dbraw/zinc/25/06/18/261250618.db2.gz OMIIROBDVBSXQK-UKPHBRMFSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)N1CCCCCC1 ZINC000176624013 261299505 /nfs/dbraw/zinc/29/95/05/261299505.db2.gz ODCSXHGMYHQFGY-GOEBONIOSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](SCC)C(C)C)CC1 ZINC000106034648 261320474 /nfs/dbraw/zinc/32/04/74/261320474.db2.gz ASGJPIVJEOTQRW-OAHLLOKOSA-N 0 3 298.496 2.921 20 30 CFEDHN CC(C)(C#N)CCCN1CCC(O)(C(F)(F)F)CC1 ZINC000305675991 261382937 /nfs/dbraw/zinc/38/29/37/261382937.db2.gz LNOGSRKJUHKBOS-UHFFFAOYSA-N 0 3 278.318 2.706 20 30 CFEDHN C=CCSCCNCc1cncc(Br)c1 ZINC000183700424 261497341 /nfs/dbraw/zinc/49/73/41/261497341.db2.gz PKBPLQJKKOAQIA-UHFFFAOYSA-N 0 3 287.226 2.853 20 30 CFEDHN N#CC1(NC(=O)CN2CCCC23CCCCCC3)CCC1 ZINC000363886562 262006235 /nfs/dbraw/zinc/00/62/35/262006235.db2.gz XGHFJYFCYMXJRG-UHFFFAOYSA-N 0 3 289.423 2.738 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@]2(C1)CCCOC2 ZINC000367437330 262027820 /nfs/dbraw/zinc/02/78/20/262027820.db2.gz INIBGGRUQZYMGP-GOSISDBHSA-N 0 3 285.387 2.701 20 30 CFEDHN C#CCCN1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000363923362 262033586 /nfs/dbraw/zinc/03/35/86/262033586.db2.gz KVQQXQVEZLFOKL-UHFFFAOYSA-N 0 3 283.297 2.698 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc(N3CCCC3)nc2)C1 ZINC000185711614 262067978 /nfs/dbraw/zinc/06/79/78/262067978.db2.gz PFXXRFNMUHMSMD-HOCLYGCPSA-N 0 3 284.407 2.854 20 30 CFEDHN COc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1OC ZINC000185787398 262070671 /nfs/dbraw/zinc/07/06/71/262070671.db2.gz WRXWSHHSBKVUBJ-JSGCOSHPSA-N 0 3 274.364 2.876 20 30 CFEDHN CCCNC(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185783026 262070760 /nfs/dbraw/zinc/07/07/60/262070760.db2.gz JRDLXRYLVFSWND-PBHICJAKSA-N 0 3 299.418 2.998 20 30 CFEDHN C=CCCOCCNCc1ccc2ncccc2c1 ZINC000120804130 262235290 /nfs/dbraw/zinc/23/52/90/262235290.db2.gz GNQYJYHZXAQDGJ-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C=CCCOCCNCc1cnc(C)n1-c1ccccc1 ZINC000120870217 262239025 /nfs/dbraw/zinc/23/90/25/262239025.db2.gz JXLACUIPMOFZMH-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000111256814 262257945 /nfs/dbraw/zinc/25/79/45/262257945.db2.gz FJPGGXDTAZIIIC-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000111256351 262258147 /nfs/dbraw/zinc/25/81/47/262258147.db2.gz MGMXTMNAMYBJNY-AWEZNQCLSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCCCCC)CC1 ZINC000111260109 262259195 /nfs/dbraw/zinc/25/91/95/262259195.db2.gz UVESANHSAZQQQW-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C)c(Br)c1 ZINC000184281575 262276134 /nfs/dbraw/zinc/27/61/34/262276134.db2.gz LXAKRAGVCTVDAH-LBPRGKRZSA-N 0 3 284.197 2.784 20 30 CFEDHN C=CCN(CCC[C@@H](C)O)Cc1cccc(C#N)c1 ZINC000354871610 262317811 /nfs/dbraw/zinc/31/78/11/262317811.db2.gz NHRXHRLUSKSWCT-CQSZACIVSA-N 0 3 258.365 2.707 20 30 CFEDHN C=CCCCC(=O)N1CC[C@H](N)c2cc(OC)ccc21 ZINC000365222320 262352208 /nfs/dbraw/zinc/35/22/08/262352208.db2.gz RDSSKGRYFKPWSI-AWEZNQCLSA-N 0 3 274.364 2.788 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000320099648 262391049 /nfs/dbraw/zinc/39/10/49/262391049.db2.gz BAFHUCCGOUKANS-BLLLJJGKSA-N 0 3 276.380 2.623 20 30 CFEDHN N#CCSCCCN1CCC[C@H]1c1cccnc1 ZINC000336783817 262394718 /nfs/dbraw/zinc/39/47/18/262394718.db2.gz IEWNKBMGEWRPRL-AWEZNQCLSA-N 0 3 261.394 2.865 20 30 CFEDHN Cc1nccn1CCCCN(C[C@@H](C)C#N)C1CC1 ZINC000336798809 262397171 /nfs/dbraw/zinc/39/71/71/262397171.db2.gz GJWUWLNUAXFELX-ZDUSSCGKSA-N 0 3 260.385 2.596 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@](C)(c3ccccc3)C2)C1=O ZINC000337132773 262424682 /nfs/dbraw/zinc/42/46/82/262424682.db2.gz ANBPAUWYBYHDQF-PKOBYXMFSA-N 0 3 298.430 2.827 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000411984848 262713884 /nfs/dbraw/zinc/71/38/84/262713884.db2.gz NSKSLFMNFHBUIR-KBAYOESNSA-N 0 3 283.419 2.885 20 30 CFEDHN CC[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)N(C)C ZINC000413817852 262789062 /nfs/dbraw/zinc/78/90/62/262789062.db2.gz MWRUBUBBYYOFPX-HOTGVXAUSA-N 0 3 287.407 2.878 20 30 CFEDHN C=CCC[C@@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414236265 262821310 /nfs/dbraw/zinc/82/13/10/262821310.db2.gz HZIHNQFJTMLCEE-GFCCVEGCSA-N 0 3 267.394 2.534 20 30 CFEDHN COc1ccc([C@H](CCO)NCCC(C)(C)C#N)cc1 ZINC000272009677 263001094 /nfs/dbraw/zinc/00/10/94/263001094.db2.gz KCDSLJRHKGOMJH-HNNXBMFYSA-N 0 3 276.380 2.648 20 30 CFEDHN CC(C)(C#N)CCN(CCO)[C@H]1CCc2ccccc21 ZINC000271999003 263001147 /nfs/dbraw/zinc/00/11/47/263001147.db2.gz GXURQXKVJSKPTF-INIZCTEOSA-N 0 3 272.392 2.908 20 30 CFEDHN CC1(C#N)CCN(CCCCCn2cccn2)CC1 ZINC000272618511 263007517 /nfs/dbraw/zinc/00/75/17/263007517.db2.gz UJASBMKBXUCKME-UHFFFAOYSA-N 0 3 260.385 2.679 20 30 CFEDHN Cc1cccc(OCCN2CCC(C)(C#N)CC2)c1 ZINC000272608513 263007597 /nfs/dbraw/zinc/00/75/97/263007597.db2.gz SASIMBOGGTWSJR-UHFFFAOYSA-N 0 3 258.365 3.000 20 30 CFEDHN CC1(C#N)CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000273241158 263014274 /nfs/dbraw/zinc/01/42/74/263014274.db2.gz FVSNFBLLYMNNPM-MRXNPFEDSA-N 0 3 272.392 2.606 20 30 CFEDHN CN(C)c1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000274193031 263021805 /nfs/dbraw/zinc/02/18/05/263021805.db2.gz ILNHPBMJHMSLGE-ZFWWWQNUSA-N 0 3 257.381 2.925 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000274215586 263022116 /nfs/dbraw/zinc/02/21/16/263022116.db2.gz OMTWMEMLQFHQJJ-IAGOWNOFSA-N 0 3 299.418 2.695 20 30 CFEDHN CC(C)(C#N)CCN1CCC(O)(c2ccccc2)CC1 ZINC000274523368 263025530 /nfs/dbraw/zinc/02/55/30/263025530.db2.gz ZJDXDACMTFZHAJ-UHFFFAOYSA-N 0 3 272.392 2.910 20 30 CFEDHN C[C@H](CCC#N)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000276300702 263035872 /nfs/dbraw/zinc/03/58/72/263035872.db2.gz JWSAJLIKGOTFDU-MRXNPFEDSA-N 0 3 296.418 2.758 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CC(C)(C)C#N ZINC000278273500 263046511 /nfs/dbraw/zinc/04/65/11/263046511.db2.gz AZYAELHTXJDTDL-CQSZACIVSA-N 0 3 287.407 2.563 20 30 CFEDHN CN(C)CCOc1ccc(NC(=O)CC(C)(C)C#N)cc1 ZINC000278329319 263047069 /nfs/dbraw/zinc/04/70/69/263047069.db2.gz WPHOZJBEDDAHHQ-UHFFFAOYSA-N 0 3 289.379 2.505 20 30 CFEDHN C[C@@H](CNC(=O)CC(C)(C)C#N)N(C)Cc1ccccc1 ZINC000278366771 263047236 /nfs/dbraw/zinc/04/72/36/263047236.db2.gz OUGDMTOGOZSOGL-AWEZNQCLSA-N 0 3 287.407 2.563 20 30 CFEDHN Cc1cnccc1OC1CCN(CCCCC#N)CC1 ZINC000278741325 263050321 /nfs/dbraw/zinc/05/03/21/263050321.db2.gz WLOGWYSSLYKIPX-UHFFFAOYSA-N 0 3 273.380 2.927 20 30 CFEDHN C[C@@H](NC(=O)CC(C)(C)C#N)[C@H](c1ccccc1)N(C)C ZINC000278767063 263050993 /nfs/dbraw/zinc/05/09/93/263050993.db2.gz KROVPYNPKXVMFZ-CZUORRHYSA-N 0 3 287.407 2.734 20 30 CFEDHN C[C@H](NC(=O)CC(C)(C)C#N)[C@H](c1ccccc1)N(C)C ZINC000278767066 263051004 /nfs/dbraw/zinc/05/10/04/263051004.db2.gz KROVPYNPKXVMFZ-XJKSGUPXSA-N 0 3 287.407 2.734 20 30 CFEDHN CN(C)CCN(Cc1cccs1)C(=O)CC(C)(C)C#N ZINC000278913823 263051692 /nfs/dbraw/zinc/05/16/92/263051692.db2.gz CJYRGLGKEHPSNH-UHFFFAOYSA-N 0 3 293.436 2.578 20 30 CFEDHN CCC[C@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279698904 263056823 /nfs/dbraw/zinc/05/68/23/263056823.db2.gz JCUDLGORZZTLJC-XJKSGUPXSA-N 0 3 283.375 2.888 20 30 CFEDHN CC[C@@H](C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280399383 263061004 /nfs/dbraw/zinc/06/10/04/263061004.db2.gz KTFKKSWEQSECRF-CZUORRHYSA-N 0 3 283.375 2.745 20 30 CFEDHN C=CCC[C@@H](NC1CCN(C(C)=O)CC1)c1ccco1 ZINC000353453613 263069898 /nfs/dbraw/zinc/06/98/98/263069898.db2.gz FNVABGRETQJPHS-OAHLLOKOSA-N 0 3 276.380 2.887 20 30 CFEDHN CN1CC[C@@H](NCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000284400498 263086627 /nfs/dbraw/zinc/08/66/27/263086627.db2.gz WIIFZANXRGLKJS-HUUCEWRRSA-N 0 3 279.334 2.603 20 30 CFEDHN C=CCCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340205628 263092694 /nfs/dbraw/zinc/09/26/94/263092694.db2.gz ZZCKWXKOXNNXMU-GHMZBOCLSA-N 0 3 251.292 2.730 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000285423652 263092915 /nfs/dbraw/zinc/09/29/15/263092915.db2.gz LCGUZONFIAZJEQ-HNNXBMFYSA-N 0 3 259.353 2.627 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(CC#N)cc1 ZINC000287323842 263101659 /nfs/dbraw/zinc/10/16/59/263101659.db2.gz MHOSRKNCHLEIJF-UHFFFAOYSA-N 0 3 299.418 2.701 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)C(C)(C)C ZINC000340289999 263105120 /nfs/dbraw/zinc/10/51/20/263105120.db2.gz MHGZEEMZOPEGTD-INIZCTEOSA-N 0 3 272.392 2.953 20 30 CFEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCCC#N ZINC000291094043 263119914 /nfs/dbraw/zinc/11/99/14/263119914.db2.gz IELFBNFROLRTSD-NVXWUHKLSA-N 0 3 297.402 2.823 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@@](CO)(c2ccccc2)C1 ZINC000291374114 263121842 /nfs/dbraw/zinc/12/18/42/263121842.db2.gz AMUCUEKRTGXWBO-QGZVFWFLSA-N 0 3 272.392 2.562 20 30 CFEDHN N#CCCOCCN1CCC[C@@H]1c1ccsc1 ZINC000293430071 263140119 /nfs/dbraw/zinc/14/01/19/263140119.db2.gz JFLMZLVJSURNGY-CYBMUJFWSA-N 0 3 250.367 2.815 20 30 CFEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)CCOCCC#N ZINC000293610792 263144468 /nfs/dbraw/zinc/14/44/68/263144468.db2.gz VPCSPSABJKLGSO-NSHDSACASA-N 0 3 268.307 2.888 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@](CO)(Cc3ccccc3)C2)C1 ZINC000293699198 263147434 /nfs/dbraw/zinc/14/74/34/263147434.db2.gz XAJALWMAFJBOFJ-CEXWTWQISA-N 0 3 298.430 2.996 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccc(F)nc3)CC2)C1 ZINC000294771988 263167439 /nfs/dbraw/zinc/16/74/39/263167439.db2.gz ZGSHYJBQHKTADO-OLZOCXBDSA-N 0 3 289.354 2.756 20 30 CFEDHN CCCN(Cc1ccccc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000296696518 263195259 /nfs/dbraw/zinc/19/52/59/263195259.db2.gz CDLNPTLSJJMGGB-HNNXBMFYSA-N 0 3 287.407 2.659 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3cncn3c2)C1 ZINC000297499616 263205503 /nfs/dbraw/zinc/20/55/03/263205503.db2.gz LHARLDNJPHILCC-GXTWGEPZSA-N 0 3 254.337 2.506 20 30 CFEDHN CCOC1(C)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000298231543 263216423 /nfs/dbraw/zinc/21/64/23/263216423.db2.gz HNJGBYWXVSSQEK-UHFFFAOYSA-N 0 3 288.391 2.980 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000298497429 263220859 /nfs/dbraw/zinc/22/08/59/263220859.db2.gz JXMSJKMOKBVFOP-LBPRGKRZSA-N 0 3 261.325 2.761 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000298615277 263223045 /nfs/dbraw/zinc/22/30/45/263223045.db2.gz UFZMHJBVAAPXOU-LSDHHAIUSA-N 0 3 285.391 2.664 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000299164540 263232902 /nfs/dbraw/zinc/23/29/02/263232902.db2.gz XRUACIVQZQZYAQ-NEPJUHHUSA-N 0 3 271.364 2.548 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1ccccc1 ZINC000299657062 263250467 /nfs/dbraw/zinc/25/04/67/263250467.db2.gz WVIRDNAILDFAIT-CQSZACIVSA-N 0 3 287.407 2.519 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC2(C)CC2)CC1 ZINC000471812745 263266578 /nfs/dbraw/zinc/26/65/78/263266578.db2.gz WVRSFRGNUVAVQM-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCC[C@@H](CCC)NCc1cc(C(N)=O)co1 ZINC000187709741 263267438 /nfs/dbraw/zinc/26/74/38/263267438.db2.gz RYOPCBJQDVKDMD-GFCCVEGCSA-N 0 3 250.342 2.603 20 30 CFEDHN C#CCOc1ccccc1CNCCCn1nc(C)cc1C ZINC000119686911 263277105 /nfs/dbraw/zinc/27/71/05/263277105.db2.gz HWOHPNYDNPCUIH-UHFFFAOYSA-N 0 3 297.402 2.692 20 30 CFEDHN C=CCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000121242399 263291973 /nfs/dbraw/zinc/29/19/73/263291973.db2.gz MGKFUZVNCFNTSH-UHFFFAOYSA-N 0 3 266.348 2.577 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C#N)cc2C)CC1 ZINC000121250510 263292258 /nfs/dbraw/zinc/29/22/58/263292258.db2.gz QPSGQCHSTIODKX-UHFFFAOYSA-N 0 3 297.402 2.637 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000340763458 263304834 /nfs/dbraw/zinc/30/48/34/263304834.db2.gz KYDLPXVALBAXAA-HNNXBMFYSA-N 0 3 284.407 2.820 20 30 CFEDHN C=CCCC[C@H](C)N1CC[C@](O)(C(F)(F)F)C1 ZINC000340923124 263315421 /nfs/dbraw/zinc/31/54/21/263315421.db2.gz QWNKGLJFJKQNQP-WDEREUQCSA-N 0 3 251.292 2.730 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000341276742 263330109 /nfs/dbraw/zinc/33/01/09/263330109.db2.gz PZSPBGJCNHELDY-RYUDHWBXSA-N 0 3 280.437 2.542 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc2c(s1)C[C@H](C)CC2 ZINC000341276737 263330224 /nfs/dbraw/zinc/33/02/24/263330224.db2.gz PZSPBGJCNHELDY-NEPJUHHUSA-N 0 3 280.437 2.542 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(Cl)cccc1OC ZINC000341302098 263332900 /nfs/dbraw/zinc/33/29/00/263332900.db2.gz MFOPNAORJCRJPQ-NSHDSACASA-N 0 3 269.772 2.623 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341648686 263345579 /nfs/dbraw/zinc/34/55/79/263345579.db2.gz JDPHUQXCCLXAOR-DZKIICNBSA-N 0 3 287.407 2.523 20 30 CFEDHN C=CCN(CCn1cc(C)cn1)Cc1ccccc1 ZINC000341833741 263353809 /nfs/dbraw/zinc/35/38/09/263353809.db2.gz QARDKHDHTLRYFQ-UHFFFAOYSA-N 0 3 255.365 2.880 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000341871384 263360566 /nfs/dbraw/zinc/36/05/66/263360566.db2.gz DHQMFLCWNAFQQJ-STQMWFEESA-N 0 3 279.380 2.539 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(OC)ccc1OC ZINC000341871379 263360580 /nfs/dbraw/zinc/36/05/80/263360580.db2.gz DHQMFLCWNAFQQJ-OLZOCXBDSA-N 0 3 279.380 2.539 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(C)ccc1OC ZINC000341891013 263364286 /nfs/dbraw/zinc/36/42/86/263364286.db2.gz UPFWWIMEGVBJPC-ZIAGYGMSSA-N 0 3 263.381 2.839 20 30 CFEDHN C(#CCN1CCCC2(CC2)C1)CN1CCCC2(CC2)C1 ZINC000341902823 263365231 /nfs/dbraw/zinc/36/52/31/263365231.db2.gz NYZRRZLHUJZWTN-UHFFFAOYSA-N 0 3 272.436 2.742 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000341998930 263375171 /nfs/dbraw/zinc/37/51/71/263375171.db2.gz WOYFFLLYIAWHDG-LLVKDONJSA-N 0 3 285.384 2.846 20 30 CFEDHN C=CCCCN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000366773484 263426843 /nfs/dbraw/zinc/42/68/43/263426843.db2.gz UVFJWNDLGRNKIC-KKUMJFAQSA-N 0 3 253.386 2.611 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000334224703 263496985 /nfs/dbraw/zinc/49/69/85/263496985.db2.gz AOVZTDMCEPNTSY-SKDRFNHKSA-N 0 3 278.739 2.830 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000366792542 263554043 /nfs/dbraw/zinc/55/40/43/263554043.db2.gz SGQNSWHKODWCJO-GOEBONIOSA-N 0 3 275.779 2.802 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H](C)CC(=O)N1 ZINC000328891239 263888728 /nfs/dbraw/zinc/88/87/28/263888728.db2.gz SKJVVGHMSXQOMC-AVGNSLFASA-N 0 3 281.400 2.572 20 30 CFEDHN COc1cc(C)ccc1NC(=O)NCC1=CCN(C)CC1 ZINC000330698729 264005602 /nfs/dbraw/zinc/00/56/02/264005602.db2.gz WPCIPBUKQVRKID-UHFFFAOYSA-N 0 3 289.379 2.591 20 30 CFEDHN CCCCn1ncc(C(=O)NCC2=CCN(C)CC2)c1C ZINC000330699537 264006880 /nfs/dbraw/zinc/00/68/80/264006880.db2.gz XUSSTOXATJAMPX-UHFFFAOYSA-N 0 3 290.411 2.558 20 30 CFEDHN CN1CCC(NC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000330793271 264039400 /nfs/dbraw/zinc/03/94/00/264039400.db2.gz CYXXOALQJURCJC-UHFFFAOYSA-N 0 3 299.321 2.708 20 30 CFEDHN CCc1noc(C)c1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330797406 264040842 /nfs/dbraw/zinc/04/08/42/264040842.db2.gz XRKMQQGFQJHSIE-JTQLQIEISA-N 0 3 292.383 2.522 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000330889785 264064461 /nfs/dbraw/zinc/06/44/61/264064461.db2.gz VMJVQBOJASLGEL-CYBMUJFWSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1nc(C)c(C(=O)NCCN2CCCC[C@H]2C)nc1C ZINC000330907643 264074589 /nfs/dbraw/zinc/07/45/89/264074589.db2.gz FGZWPMIYSRYKGI-LLVKDONJSA-N 0 3 290.411 2.581 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(CC#N)cc1 ZINC000330899069 264078925 /nfs/dbraw/zinc/07/89/25/264078925.db2.gz ITFKMGBJOFCZBQ-CHWSQXEVSA-N 0 3 271.364 2.564 20 30 CFEDHN Cc1ncc(C(=O)NCCN2CCCC(C)(C)C2)c(C)n1 ZINC000330947357 264084756 /nfs/dbraw/zinc/08/47/56/264084756.db2.gz BBVMTMJGVNHEMR-UHFFFAOYSA-N 0 3 290.411 2.520 20 30 CFEDHN COc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000330956059 264087302 /nfs/dbraw/zinc/08/73/02/264087302.db2.gz HLJRGFLSOXHWKO-UHFFFAOYSA-N 0 3 291.395 2.517 20 30 CFEDHN CCC[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330968232 264090883 /nfs/dbraw/zinc/09/08/83/264090883.db2.gz DTLPZJUJPCQKAV-ZMSDIMECSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@H](CNC(=O)Nc1cc(Cl)c(Cl)cn1)N(C)C ZINC000330995306 264105061 /nfs/dbraw/zinc/10/50/61/264105061.db2.gz WTXTZHITTNOLLT-SSDOTTSWSA-N 0 3 291.182 2.664 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)CCN1C ZINC000331073206 264114467 /nfs/dbraw/zinc/11/44/67/264114467.db2.gz UFPRXEYNQOEDAO-PVAVHDDUSA-N 0 3 299.418 2.673 20 30 CFEDHN C[C@H]1CCCCN1CCNC(=O)Nc1ccc(Cl)cn1 ZINC000331110041 264126420 /nfs/dbraw/zinc/12/64/20/264126420.db2.gz IMFNVKIXVZEEAK-NSHDSACASA-N 0 3 296.802 2.935 20 30 CFEDHN CC(=O)N[C@@H](C)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000331142696 264136733 /nfs/dbraw/zinc/13/67/33/264136733.db2.gz UXUMDNWTGHRJAG-UONOGXRCSA-N 0 3 299.418 2.856 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)NC[C@H]1CCCN1CC(C)C ZINC000331237848 264175127 /nfs/dbraw/zinc/17/51/27/264175127.db2.gz VBPRYVGCARXFBT-CYBMUJFWSA-N 0 3 289.379 2.885 20 30 CFEDHN C[C@H](CNC(=O)c1ccccc1[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000331248626 264180519 /nfs/dbraw/zinc/18/05/19/264180519.db2.gz XFRPBVWQVGRFKL-CHWSQXEVSA-N 0 3 276.380 2.817 20 30 CFEDHN C[C@H](CNC(=O)c1ccccc1[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000331248626 264180522 /nfs/dbraw/zinc/18/05/22/264180522.db2.gz XFRPBVWQVGRFKL-CHWSQXEVSA-N 0 3 276.380 2.817 20 30 CFEDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000331333497 264192750 /nfs/dbraw/zinc/19/27/50/264192750.db2.gz VZYNADZTFFGBRG-NWDGAFQWSA-N 0 3 291.351 2.691 20 30 CFEDHN CCc1nc(C(=O)NCCN2CCCC(C)(C)C2)co1 ZINC000331304706 264199948 /nfs/dbraw/zinc/19/99/48/264199948.db2.gz UGUKPADWPQDJCS-UHFFFAOYSA-N 0 3 279.384 2.664 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)CC1(CO)CC1 ZINC000188958687 264259423 /nfs/dbraw/zinc/25/94/23/264259423.db2.gz QSZPPKSVDNLMNV-UHFFFAOYSA-N 0 3 288.391 2.573 20 30 CFEDHN CCCCN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343262678 264260920 /nfs/dbraw/zinc/26/09/20/264260920.db2.gz CYHGITPPRQHZAX-HIFRSBDPSA-N 0 3 267.417 2.551 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(c2ccccc2)CC1 ZINC000253377059 264332362 /nfs/dbraw/zinc/33/23/62/264332362.db2.gz VWLRUXWHZCVUIC-AWEZNQCLSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccccc1F ZINC000076734059 264342770 /nfs/dbraw/zinc/34/27/70/264342770.db2.gz BYKXWYIPWBGOIM-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000076735470 264342921 /nfs/dbraw/zinc/34/29/21/264342921.db2.gz AGZYYYWSMBWYRK-ZDUSSCGKSA-N 0 3 280.437 2.693 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@](CC)(CO)C1 ZINC000190228194 264395888 /nfs/dbraw/zinc/39/58/88/264395888.db2.gz JSDZLQLSKYHYJP-SFHVURJKSA-N 0 3 287.403 2.683 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000345754186 265096620 /nfs/dbraw/zinc/09/66/20/265096620.db2.gz CVDOWNLGQBRTKO-YPMHNXCESA-N 0 3 282.347 2.804 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000520692037 265894672 /nfs/dbraw/zinc/89/46/72/265894672.db2.gz MFLIXGVGAQIYCM-HOCLYGCPSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(Cl)c(F)c1 ZINC000320950877 266024147 /nfs/dbraw/zinc/02/41/47/266024147.db2.gz GRUXIJBXGCZNTN-LLVKDONJSA-N 0 3 257.736 2.896 20 30 CFEDHN CCOc1ccc(CNC(=O)C(C)C#N)cc1Cl ZINC000356167548 266061505 /nfs/dbraw/zinc/06/15/05/266061505.db2.gz ROIBBFNHHDPFLF-SECBINFHSA-N 0 3 266.728 2.515 20 30 CFEDHN CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CCCN(C)C1 ZINC000356208516 266071543 /nfs/dbraw/zinc/07/15/43/266071543.db2.gz RGTKICCYOJCIIM-IRXDYDNUSA-N 0 3 299.418 2.627 20 30 CFEDHN C=C[C@@H](CC(=O)N(CCN(C)C)C1CC1)c1ccccc1 ZINC000356302176 266091835 /nfs/dbraw/zinc/09/18/35/266091835.db2.gz RBMXRVWEMPONAX-HNNXBMFYSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCCC1(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000357154864 266255682 /nfs/dbraw/zinc/25/56/82/266255682.db2.gz WKYIKUASDCATIW-OAHLLOKOSA-N 0 3 276.424 2.866 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494526 266307627 /nfs/dbraw/zinc/30/76/27/266307627.db2.gz RWWFKEWPLXJTKM-RDJZCZTQSA-N 0 3 289.423 2.569 20 30 CFEDHN C=CCN(C[C@@H](O)COc1cc(C)cc(C)c1)C1CC1 ZINC000357549136 266319652 /nfs/dbraw/zinc/31/96/52/266319652.db2.gz DLWJKFRTMMUTRD-MRXNPFEDSA-N 0 3 275.392 2.694 20 30 CFEDHN C=CCN(CCCc1nc(C)no1)Cc1cccc(C#N)c1 ZINC000357724676 266351719 /nfs/dbraw/zinc/35/17/19/266351719.db2.gz DGKIUYSULINOHO-UHFFFAOYSA-N 0 3 296.374 2.871 20 30 CFEDHN C[C@@H](C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000357838122 266374657 /nfs/dbraw/zinc/37/46/57/266374657.db2.gz WIVARNWCAZNXMJ-ZDUSSCGKSA-N 0 3 271.364 2.771 20 30 CFEDHN C=CCCOCCCCC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357920659 266386031 /nfs/dbraw/zinc/38/60/31/266386031.db2.gz CLNXUDDAQYFAIM-OAHLLOKOSA-N 0 3 294.439 2.516 20 30 CFEDHN C=CCCOCCCCC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357920658 266386212 /nfs/dbraw/zinc/38/62/12/266386212.db2.gz CLNXUDDAQYFAIM-HNNXBMFYSA-N 0 3 294.439 2.516 20 30 CFEDHN C=C(CC)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000358503597 266470495 /nfs/dbraw/zinc/47/04/95/266470495.db2.gz ZECJALKKDIXRGF-HNNXBMFYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C[C@@H](C)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000362632008 267027108 /nfs/dbraw/zinc/02/71/08/267027108.db2.gz WDGXUBKHUQGDSZ-KGLIPLIRSA-N 0 3 289.423 2.990 20 30 CFEDHN C=C[C@@H](C)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000362632010 267027341 /nfs/dbraw/zinc/02/73/41/267027341.db2.gz WDGXUBKHUQGDSZ-ZIAGYGMSSA-N 0 3 289.423 2.990 20 30 CFEDHN C[C@@H]1CC[C@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000362186779 267028872 /nfs/dbraw/zinc/02/88/72/267028872.db2.gz KNLXRFBWHZNWLR-COXVUDFISA-N 0 3 295.386 2.888 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000362659572 267031355 /nfs/dbraw/zinc/03/13/55/267031355.db2.gz VNBWRVRQDVJLCX-QWHCGFSZSA-N 0 3 293.436 2.759 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H]1CCC1CCCC1 ZINC000362953307 267065469 /nfs/dbraw/zinc/06/54/69/267065469.db2.gz YMPJNCZAYVNZGB-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCOCC[C@@H]2C)cc1 ZINC000367707535 267110441 /nfs/dbraw/zinc/11/04/41/267110441.db2.gz PNPJIYLPQFIDDW-KBPBESRZSA-N 0 3 274.364 2.588 20 30 CFEDHN CCO[C@@]1(C)C[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000527980753 267154553 /nfs/dbraw/zinc/15/45/53/267154553.db2.gz SCQCXHMXIVTSHD-XHSDSOJGSA-N 0 3 256.349 2.703 20 30 CFEDHN C=C(C)CN(CCOC)[C@H]1CCCc2cccnc21 ZINC000368375238 267167114 /nfs/dbraw/zinc/16/71/14/267167114.db2.gz SWNMCLYKUQSVNG-HNNXBMFYSA-N 0 3 260.381 2.984 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CCCN(CCC)CC2)c1 ZINC000368515085 267179664 /nfs/dbraw/zinc/17/96/64/267179664.db2.gz FRBCXMXNKLWOJV-UHFFFAOYSA-N 0 3 285.391 2.618 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN(CCCCC#N)C1 ZINC000368871567 267210010 /nfs/dbraw/zinc/21/00/10/267210010.db2.gz ZPYYYEDYOQAYPH-CQSZACIVSA-N 0 3 277.368 2.576 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H]1C(C)C ZINC000117349041 267212300 /nfs/dbraw/zinc/21/23/00/267212300.db2.gz ZDUHJJZXAXROPN-HNNXBMFYSA-N 0 3 264.413 2.698 20 30 CFEDHN C#CCCN1CCC(F)(c2ccccc2OC)CC1 ZINC000370458640 267320379 /nfs/dbraw/zinc/32/03/79/267320379.db2.gz CPEBSKVXLJIZRN-UHFFFAOYSA-N 0 3 261.340 2.979 20 30 CFEDHN N#CC1(CN[C@@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000418139014 267360612 /nfs/dbraw/zinc/36/06/12/267360612.db2.gz HBNDRHUTPIVPPA-QGZVFWFLSA-N 0 3 283.419 2.934 20 30 CFEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCC2)cc1 ZINC000418145509 267366112 /nfs/dbraw/zinc/36/61/12/267366112.db2.gz YINBTXPANQLVEZ-CYBMUJFWSA-N 0 3 258.365 2.910 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCC1(C#N)CCC1 ZINC000418135381 267367791 /nfs/dbraw/zinc/36/77/91/267367791.db2.gz AONDFZSUKTXVQD-DOTOQJQBSA-N 0 3 283.419 2.790 20 30 CFEDHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCCCC(C)(C)C#N ZINC000376658307 268007273 /nfs/dbraw/zinc/00/72/73/268007273.db2.gz RDMBOMCAATXYFK-KKUMJFAQSA-N 0 3 292.423 2.980 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CC(C)C)CC1 ZINC000376952725 268032726 /nfs/dbraw/zinc/03/27/26/268032726.db2.gz BCQFNCVLEKNBFS-OAHLLOKOSA-N 0 3 266.429 2.779 20 30 CFEDHN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1 ZINC000529719017 268199953 /nfs/dbraw/zinc/19/99/53/268199953.db2.gz OWQLDVAMXPEECO-KRWDZBQOSA-N 0 3 297.402 2.695 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453345325 269556945 /nfs/dbraw/zinc/55/69/45/269556945.db2.gz HXZYVWPDWQJBIZ-SMDDNHRTSA-N 0 3 262.328 2.675 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000449694412 269557333 /nfs/dbraw/zinc/55/73/33/269557333.db2.gz BLULBQZBAPIVMO-CYBMUJFWSA-N 0 3 298.308 2.994 20 30 CFEDHN N#Cc1cccc(CNC(=O)CN(C2CCC2)C2CCC2)c1 ZINC000515336321 270368268 /nfs/dbraw/zinc/36/82/68/270368268.db2.gz LBTYWBQZWGDPIE-UHFFFAOYSA-N 0 3 297.402 2.581 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1c(C#N)cccc1[N+](=O)[O-] ZINC000425201491 274485364 /nfs/dbraw/zinc/48/53/64/274485364.db2.gz AIMBYVWRKCXPFZ-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN OCCN(CC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000275781973 275046313 /nfs/dbraw/zinc/04/63/13/275046313.db2.gz CKPXZXMDDFUIEN-UHFFFAOYSA-N 0 3 297.320 2.904 20 30 CFEDHN C#C[C@H](NCc1ccccc1N1CCOCC1)C(C)(C)C ZINC000290003084 275386794 /nfs/dbraw/zinc/38/67/94/275386794.db2.gz DCJAIXXIPZUVNC-KRWDZBQOSA-N 0 3 286.419 2.661 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000295908181 275388682 /nfs/dbraw/zinc/38/86/82/275388682.db2.gz HHOZEACNFWOCPU-BRWVUGGUSA-N 0 3 267.372 2.585 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)[C@H]1OCCc2sccc21 ZINC000292479354 275424537 /nfs/dbraw/zinc/42/45/37/275424537.db2.gz SAKQDNRWFGPNJU-TYNCELHUSA-N 0 3 281.421 2.667 20 30 CFEDHN CC(C)(CO)[C@@H](NCc1cccc(F)c1C#N)C1CC1 ZINC000339727563 275550131 /nfs/dbraw/zinc/55/01/31/275550131.db2.gz GNLYHHCYBPWBQP-HNNXBMFYSA-N 0 3 276.355 2.584 20 30 CFEDHN C=CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287946044 275743916 /nfs/dbraw/zinc/74/39/16/275743916.db2.gz HOIVZYDAAHUCRE-DZGCQCFKSA-N 0 3 275.396 2.505 20 30 CFEDHN CC1(C)CCC[C@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299222260 275821142 /nfs/dbraw/zinc/82/11/42/275821142.db2.gz HYAMEOCMDCNSDD-HZPDHXFCSA-N 0 3 297.402 2.832 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccc(F)cc2)[C@@H]2CCO[C@@H]21 ZINC000295828658 275889495 /nfs/dbraw/zinc/88/94/95/275889495.db2.gz CGWJRURSWQRHRP-XHSDSOJGSA-N 0 3 273.351 2.580 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329186046 276010557 /nfs/dbraw/zinc/01/05/57/276010557.db2.gz GJXRUEGOQFPXTO-STQMWFEESA-N 0 3 281.400 2.716 20 30 CFEDHN CCO[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC000449759474 276337020 /nfs/dbraw/zinc/33/70/20/276337020.db2.gz JLOYFLLZMSYPLJ-HZPDHXFCSA-N 0 3 258.365 2.996 20 30 CFEDHN CC[C@@H](NCC1(C)OCCCO1)c1ccc(C#N)cc1 ZINC000278693434 276531760 /nfs/dbraw/zinc/53/17/60/276531760.db2.gz KNMPHIVORJDYER-OAHLLOKOSA-N 0 3 274.364 2.752 20 30 CFEDHN C=CCCCCCN[C@@H](c1nncn1C)C(C)C ZINC000352466323 276883612 /nfs/dbraw/zinc/88/36/12/276883612.db2.gz BSNGWHOXJTUUPW-CYBMUJFWSA-N 0 3 250.390 2.848 20 30 CFEDHN CC(=O)NCC[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000347629998 277033895 /nfs/dbraw/zinc/03/38/95/277033895.db2.gz ASOZWCHFMSONFG-YOEHRIQHSA-N 0 3 299.418 2.857 20 30 CFEDHN CC(=O)N[C@H](C)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000331142694 277052988 /nfs/dbraw/zinc/05/29/88/277052988.db2.gz UXUMDNWTGHRJAG-KGLIPLIRSA-N 0 3 299.418 2.856 20 30 CFEDHN CC(C)(C#N)CCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352437882 277120886 /nfs/dbraw/zinc/12/08/86/277120886.db2.gz DUDSQBYBEHJDLO-KBPBESRZSA-N 0 3 262.397 2.960 20 30 CFEDHN CC(C)(C#N)CCN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000335959252 277121079 /nfs/dbraw/zinc/12/10/79/277121079.db2.gz ZVQJJDHURHXVLR-CHWSQXEVSA-N 0 3 250.386 2.958 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2c2snc(Cl)c2C#N)C1 ZINC000271397379 277156557 /nfs/dbraw/zinc/15/65/57/277156557.db2.gz RCLAAGKZCJADQQ-GXSJLCMTSA-N 0 3 296.827 2.589 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc(C#N)cc2)C1 ZINC000153363038 277182269 /nfs/dbraw/zinc/18/22/69/277182269.db2.gz PVRIWEZEGPYZGC-ZBFHGGJFSA-N 0 3 298.390 2.506 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)c(F)c1)CC(C)C ZINC000421375879 277280833 /nfs/dbraw/zinc/28/08/33/277280833.db2.gz DDKUTXIILCZNRX-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000354290372 277822058 /nfs/dbraw/zinc/82/20/58/277822058.db2.gz UVZXQQANRADJKS-KGLIPLIRSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000286237845 277888809 /nfs/dbraw/zinc/88/88/09/277888809.db2.gz TXCBWLRHTJACIY-CHWSQXEVSA-N 0 3 279.380 2.600 20 30 CFEDHN C[C@@H]1C[C@H](N(C)c2nccc(C#N)c2Cl)CCN1C ZINC000342352219 278014369 /nfs/dbraw/zinc/01/43/69/278014369.db2.gz UDSVJRXTOFEFPB-ZYHUDNBSSA-N 0 3 278.787 2.526 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc(C#N)cc1 ZINC000186279748 278188614 /nfs/dbraw/zinc/18/86/14/278188614.db2.gz HKAVCRVKNHMTKO-CQSZACIVSA-N 0 3 285.391 2.553 20 30 CFEDHN CC(C)(C#N)CCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000347109043 278257453 /nfs/dbraw/zinc/25/74/53/278257453.db2.gz OUTROPSFYDEBOD-MRXNPFEDSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(C)(C)C1=CCN(CCNC(=O)CC(C)(C)C#N)CC1 ZINC000354892272 278299380 /nfs/dbraw/zinc/29/93/80/278299380.db2.gz VUDHUDYBDZEXJE-UHFFFAOYSA-N 0 3 291.439 2.721 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nccc(C#N)c1Cl ZINC000343616058 278970767 /nfs/dbraw/zinc/97/07/67/278970767.db2.gz UCSDGOSWXDJMNF-YPMHNXCESA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCOC1 ZINC000356101358 279171992 /nfs/dbraw/zinc/17/19/92/279171992.db2.gz QXYBATWCFBQAJF-CYBMUJFWSA-N 0 3 284.281 2.846 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000216058053 279219138 /nfs/dbraw/zinc/21/91/38/279219138.db2.gz SYYBLFZAJOGXPD-RBSFLKMASA-N 0 3 291.439 2.695 20 30 CFEDHN Fc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296082554 279461327 /nfs/dbraw/zinc/46/13/27/279461327.db2.gz QATWHMZEFPNZOI-BBWFWOEESA-N 0 3 285.362 2.724 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000300415530 279545116 /nfs/dbraw/zinc/54/51/16/279545116.db2.gz VVOUEMXZBUZXNP-UVBJJODRSA-N 0 3 256.349 2.776 20 30 CFEDHN Cc1nc(N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000487768541 280181761 /nfs/dbraw/zinc/18/17/61/280181761.db2.gz JETDWBYWQKVXOF-RDTXWAMCSA-N 0 3 294.402 2.787 20 30 CFEDHN Cc1cc(C#N)nc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000287729214 280319473 /nfs/dbraw/zinc/31/94/73/280319473.db2.gz LQCCGGHOOIWDRY-BBRMVZONSA-N 0 3 295.390 2.760 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000131338693 280715836 /nfs/dbraw/zinc/71/58/36/280715836.db2.gz IVUOPMROKWZGPO-MAZHCROVSA-N 0 3 286.375 2.941 20 30 CFEDHN CC(C)[C@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000252743676 281078139 /nfs/dbraw/zinc/07/81/39/281078139.db2.gz MLVSAAQYMYWBLQ-HIFRSBDPSA-N 0 3 285.391 2.863 20 30 CFEDHN CC(C)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000252743678 281078302 /nfs/dbraw/zinc/07/83/02/281078302.db2.gz MLVSAAQYMYWBLQ-UKRRQHHQSA-N 0 3 285.391 2.863 20 30 CFEDHN N#Cc1cc(N[C@@H](CN2CCCC2)c2ccccc2)ncn1 ZINC000526256089 281320546 /nfs/dbraw/zinc/32/05/46/281320546.db2.gz AUGPMKHHTWOEMJ-INIZCTEOSA-N 0 3 293.374 2.597 20 30 CFEDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000554407038 281892244 /nfs/dbraw/zinc/89/22/44/281892244.db2.gz IWJMWEQSPIDHSF-FZMZJTMJSA-N 0 3 271.364 2.663 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000334602243 289234526 /nfs/dbraw/zinc/23/45/26/289234526.db2.gz RRKVVWUHSWZKGE-SNVBAGLBSA-N 0 3 278.302 2.830 20 30 CFEDHN CC(C#N)C(=O)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000336274753 289235437 /nfs/dbraw/zinc/23/54/37/289235437.db2.gz VFNQMUWARONIKA-SNVBAGLBSA-N 0 3 285.322 2.741 20 30 CFEDHN CN(Cc1cnc2c(C#N)cnn2c1)C1CCCCCC1 ZINC000563957454 290186607 /nfs/dbraw/zinc/18/66/07/290186607.db2.gz HAOSBALAIYLHIL-UHFFFAOYSA-N 0 3 283.379 2.756 20 30 CFEDHN CC1CCC(N(C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000566245313 290362180 /nfs/dbraw/zinc/36/21/80/290362180.db2.gz IPDLWWVJVGDWEB-UHFFFAOYSA-N 0 3 283.379 2.611 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CCCC12CCN(C)CC2 ZINC000334662475 301074000 /nfs/dbraw/zinc/07/40/00/301074000.db2.gz DDMAIKQSKNUAOD-UHFFFAOYSA-N 0 3 297.402 2.567 20 30 CFEDHN N#Cc1c(Cl)nsc1N1CCC[C@@H]1CN1CCCC1 ZINC000189074869 303175155 /nfs/dbraw/zinc/17/51/55/303175155.db2.gz NCLOIPIALSNZPH-SNVBAGLBSA-N 0 3 296.827 2.733 20 30 CFEDHN COc1cc2c(cc1OC)CCN(CCCCC#N)CC2 ZINC000364131964 327862554 /nfs/dbraw/zinc/86/25/54/327862554.db2.gz LPLUSCHHSGCZMI-UHFFFAOYSA-N 0 3 288.391 2.798 20 30 CFEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccccn1 ZINC000531783211 328033691 /nfs/dbraw/zinc/03/36/91/328033691.db2.gz ATAZEXNYSHUKLB-ZDUSSCGKSA-N 0 3 263.300 2.844 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc2c(n1)CCC2 ZINC000571142732 328087718 /nfs/dbraw/zinc/08/77/18/328087718.db2.gz DKZUGSNOKMYXKF-RHSMWYFYSA-N 0 3 272.392 2.641 20 30 CFEDHN O[C@@H](CNCC#Cc1ccccc1)CC1CCCC1 ZINC000571316339 328104931 /nfs/dbraw/zinc/10/49/31/328104931.db2.gz VYCSIFYAYLBVII-QGZVFWFLSA-N 0 3 257.377 2.569 20 30 CFEDHN N#CC1(CNC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000571363896 328117006 /nfs/dbraw/zinc/11/70/06/328117006.db2.gz IHEAGTLRJZHVPU-UHFFFAOYSA-N 0 3 297.402 2.706 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000571391155 328118743 /nfs/dbraw/zinc/11/87/43/328118743.db2.gz UALHGSDHNXUFRA-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000336691809 328121144 /nfs/dbraw/zinc/12/11/44/328121144.db2.gz WYVUPSCORDBBFJ-ZDUSSCGKSA-N 0 3 284.197 2.822 20 30 CFEDHN C[C@@H](NC(C)(C)CNC(=O)C(C)(C)C#N)c1ccccc1 ZINC000264553587 328160214 /nfs/dbraw/zinc/16/02/14/328160214.db2.gz XPAWFNDGCXVMRC-CYBMUJFWSA-N 0 3 287.407 2.782 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](C)[C@@H]1C ZINC000172856323 329139351 /nfs/dbraw/zinc/13/93/51/329139351.db2.gz RVBGMYACBJGZNF-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1ccc(OC(F)F)c(CNCCCC#N)c1 ZINC000273080600 328203598 /nfs/dbraw/zinc/20/35/98/328203598.db2.gz QPJCFCOSNCFTSW-UHFFFAOYSA-N 0 3 254.280 2.990 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000274637481 328212351 /nfs/dbraw/zinc/21/23/51/328212351.db2.gz QGTYLPRENKNURE-GZBFAFLISA-N 0 3 299.374 2.986 20 30 CFEDHN CN(C)C(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000278163504 328223895 /nfs/dbraw/zinc/22/38/95/328223895.db2.gz BWCOUELRYYKDFG-XJKSGUPXSA-N 0 3 285.391 2.560 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000278583908 328227738 /nfs/dbraw/zinc/22/77/38/328227738.db2.gz KKUHYKOPCAPVST-RHSMWYFYSA-N 0 3 297.402 2.573 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000185057594 329265092 /nfs/dbraw/zinc/26/50/92/329265092.db2.gz RPZLLLDAAIMMTF-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN CCc1nocc1CN(C)CCCC1(C#N)CCOCC1 ZINC000293286801 328275147 /nfs/dbraw/zinc/27/51/47/328275147.db2.gz CXOAQFHIGVLHCS-UHFFFAOYSA-N 0 3 291.395 2.769 20 30 CFEDHN CN(Cc1ccccc1N1CCOCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293417442 328275810 /nfs/dbraw/zinc/27/58/10/328275810.db2.gz IMSOREZPUVCBIB-NVXWUHKLSA-N 0 3 299.418 2.647 20 30 CFEDHN CN(CCCOc1cccc(Cl)c1)CCOCCC#N ZINC000293558175 328276729 /nfs/dbraw/zinc/27/67/29/328276729.db2.gz RUYDWAIEDGMODW-UHFFFAOYSA-N 0 3 296.798 2.971 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNC[C@H](C#N)CCC#N ZINC000583049164 329303538 /nfs/dbraw/zinc/30/35/38/329303538.db2.gz QLQOJEOISOKCMR-SOUVJXGZSA-N 0 3 277.412 2.861 20 30 CFEDHN Cn1cc(CNC[C@@H]2CSc3ccccc3O2)cc1C#N ZINC000569971310 322506715 /nfs/dbraw/zinc/50/67/15/322506715.db2.gz QVMWTJHHPMQQOW-CQSZACIVSA-N 0 3 299.399 2.540 20 30 CFEDHN C=CC1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000111826656 328378245 /nfs/dbraw/zinc/37/82/45/328378245.db2.gz LXQVJKLUGARAEM-HNNXBMFYSA-N 0 3 281.444 2.570 20 30 CFEDHN CC(C)(C#N)CCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305188183 328395784 /nfs/dbraw/zinc/39/57/84/328395784.db2.gz XRDNCNZSTJXTHF-GFCCVEGCSA-N 0 3 292.345 2.952 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cnc(C2CCC2)s1 ZINC000341261894 328405522 /nfs/dbraw/zinc/40/55/22/328405522.db2.gz DWEIDMZCGGEROA-LLVKDONJSA-N 0 3 266.410 2.685 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(F)cc1Cl ZINC000341268858 328406027 /nfs/dbraw/zinc/40/60/27/328406027.db2.gz LFDNGDQAILXMRR-JTQLQIEISA-N 0 3 257.736 2.753 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)N1CCc2ccccc21 ZINC000174256515 323645707 /nfs/dbraw/zinc/64/57/07/323645707.db2.gz QYLRZZNZRCOHTH-CYBMUJFWSA-N 0 3 281.359 2.692 20 30 CFEDHN Cc1noc(C)c1C[C@@H](C)NCc1cc(C#N)cs1 ZINC000177704382 323702349 /nfs/dbraw/zinc/70/23/49/323702349.db2.gz BZRFONOWUJMYDN-SECBINFHSA-N 0 3 275.377 2.945 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000179098040 323733115 /nfs/dbraw/zinc/73/31/15/323733115.db2.gz AVWHAWPROAZIBB-LSDHHAIUSA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCO1 ZINC000182287101 323853383 /nfs/dbraw/zinc/85/33/83/323853383.db2.gz CJKAYRQTPCUJKQ-CABCVRRESA-N 0 3 262.328 2.745 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1ccccc1CNC ZINC000415909374 328431077 /nfs/dbraw/zinc/43/10/77/328431077.db2.gz FUVDTWLEZXYGIH-UHFFFAOYSA-N 0 3 261.369 2.836 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCCNC1=O ZINC000578710092 324880074 /nfs/dbraw/zinc/88/00/74/324880074.db2.gz FVBKBRDUGWNZQU-IAGOWNOFSA-N 0 3 297.402 2.584 20 30 CFEDHN CN(C)[C@H]1CCOc2c(Nc3ccc(C#N)cn3)cccc21 ZINC000580390416 325030558 /nfs/dbraw/zinc/03/05/58/325030558.db2.gz XEOXPTQSCALJIS-HNNXBMFYSA-N 0 3 294.358 2.504 20 30 CFEDHN CCOC(=O)C1(CNCc2ccc(C#N)c(F)c2)CCC1 ZINC000580429756 325034731 /nfs/dbraw/zinc/03/47/31/325034731.db2.gz WRYKEIJZDDFCMA-UHFFFAOYSA-N 0 3 290.338 2.520 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cn1 ZINC000581377642 325116120 /nfs/dbraw/zinc/11/61/20/325116120.db2.gz KUJMZPPXXZQSMG-CVEARBPZSA-N 0 3 273.380 2.637 20 30 CFEDHN C=CCC[C@@H](C(=O)N[C@H](C)CN(C)C)c1ccccc1 ZINC000346229264 328570906 /nfs/dbraw/zinc/57/09/06/328570906.db2.gz SCYRJOFANKCNML-GDBMZVCRSA-N 0 3 274.408 2.803 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000186698281 326794716 /nfs/dbraw/zinc/79/47/16/326794716.db2.gz OQQUGYSYBZPRIA-ZYHUDNBSSA-N 0 3 293.798 2.814 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](OC)C2CC2)cc1 ZINC000339528238 327012956 /nfs/dbraw/zinc/01/29/56/327012956.db2.gz QEHNAZDYCLKDDK-INIZCTEOSA-N 0 3 261.365 2.766 20 30 CFEDHN N#CCC1CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000558096737 327073565 /nfs/dbraw/zinc/07/35/65/327073565.db2.gz JQFGFGQZJXCPOB-INIZCTEOSA-N 0 3 292.810 2.869 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C(C)C ZINC000076711312 327130719 /nfs/dbraw/zinc/13/07/19/327130719.db2.gz GRVXOFYBLMWGCH-KRWDZBQOSA-N 0 3 287.407 2.735 20 30 CFEDHN CC[C@@H](CC#N)NCC/C=C\c1cncc(OC)c1 ZINC000572614002 327142457 /nfs/dbraw/zinc/14/24/57/327142457.db2.gz UBFNUPKVQZBORT-SDQPKGBYSA-N 0 3 259.353 2.775 20 30 CFEDHN N#CC1(CNC2CCN(Cc3ccccc3)CC2)CC1 ZINC000559333467 327161808 /nfs/dbraw/zinc/16/18/08/327161808.db2.gz YMOXZJQVBYQXDX-UHFFFAOYSA-N 0 3 269.392 2.544 20 30 CFEDHN CCCn1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000569356492 327161892 /nfs/dbraw/zinc/16/18/92/327161892.db2.gz CWOZMUGWYPKXKX-NSHDSACASA-N 0 3 293.330 2.659 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccnc(C(F)(F)F)c2)C1 ZINC000449436802 327208016 /nfs/dbraw/zinc/20/80/16/327208016.db2.gz GMRCFVRNHKTZCC-ONGXEEELSA-N 0 3 269.270 2.882 20 30 CFEDHN N#CCCCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000102396597 327226810 /nfs/dbraw/zinc/22/68/10/327226810.db2.gz HRGYCEUHBJPDRV-UHFFFAOYSA-N 0 3 298.390 2.660 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1Cl ZINC000573792881 327257716 /nfs/dbraw/zinc/25/77/16/327257716.db2.gz ANCUASOLUXJYKP-KGLIPLIRSA-N 0 3 294.782 2.602 20 30 CFEDHN C[C@H](C(=O)N1CCC(CCC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000573969114 327277103 /nfs/dbraw/zinc/27/71/03/327277103.db2.gz LNCVYNVCMHQKEC-QLFBSQMISA-N 0 3 291.439 2.790 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000121485559 327353787 /nfs/dbraw/zinc/35/37/87/327353787.db2.gz BHWZVWMBIRIPFB-UHFFFAOYSA-N 0 3 270.735 2.926 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000150746235 327369463 /nfs/dbraw/zinc/36/94/63/327369463.db2.gz QPILCOGGKSINKJ-KBPBESRZSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000155146318 327390315 /nfs/dbraw/zinc/39/03/15/327390315.db2.gz AXXYZQOZUGTEOB-AWEZNQCLSA-N 0 3 254.418 2.918 20 30 CFEDHN C#C[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000289566098 327532205 /nfs/dbraw/zinc/53/22/05/327532205.db2.gz SEXHMHMCVVMOKM-VIFPVBQESA-N 0 3 268.154 2.574 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)cc1 ZINC000361151841 328915089 /nfs/dbraw/zinc/91/50/89/328915089.db2.gz HNHQMWGQDXJPHO-IKGGRYGDSA-N 0 3 291.391 2.533 20 30 CFEDHN C#C[C@H](C)NCc1c[nH]nc1-c1cc2ccccc2o1 ZINC000377705505 329025995 /nfs/dbraw/zinc/02/59/95/329025995.db2.gz TYZOSHXDAQMMKR-NSHDSACASA-N 0 3 265.316 2.934 20 30 CFEDHN CC#CCN1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000377856362 329031857 /nfs/dbraw/zinc/03/18/57/329031857.db2.gz PPHIDFNFUCXCSV-OAHLLOKOSA-N 0 3 298.434 2.597 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000378030357 329037551 /nfs/dbraw/zinc/03/75/51/329037551.db2.gz VWCSTQRJMQZPMA-DOMZBBRYSA-N 0 3 270.392 2.670 20 30 CFEDHN C=CCCC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000378094471 329039860 /nfs/dbraw/zinc/03/98/60/329039860.db2.gz VZGIQIWVOLNKKD-MRXNPFEDSA-N 0 3 272.392 2.733 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000378315099 329045790 /nfs/dbraw/zinc/04/57/90/329045790.db2.gz OXXUHSPFERROTD-JLZZUVOBSA-N 0 3 286.375 2.635 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(CCC)CC1 ZINC000378451744 329050986 /nfs/dbraw/zinc/05/09/86/329050986.db2.gz FOBPNKKUFQTIIJ-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)CSCCC(C)C)CC1 ZINC000171714636 329078783 /nfs/dbraw/zinc/07/87/83/329078783.db2.gz MMTTVVWINFXSKG-UHFFFAOYSA-N 0 3 284.469 2.532 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC000171715303 329079000 /nfs/dbraw/zinc/07/90/00/329079000.db2.gz HHZNHUSGRHNCEN-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@H](C)C2)CC1 ZINC000171723269 329079263 /nfs/dbraw/zinc/07/92/63/329079263.db2.gz PTIJBMGMMKRUEI-GJZGRUSLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000171738670 329079779 /nfs/dbraw/zinc/07/97/79/329079779.db2.gz JZLSHCFAXSIYJA-MRXNPFEDSA-N 0 3 291.439 2.611 20 30 CFEDHN CCCC[C@@H](NCCCCC#N)C(=O)Nc1cc(C)on1 ZINC000171982642 329082929 /nfs/dbraw/zinc/08/29/29/329082929.db2.gz ZAOCSLQDXYHVLM-CYBMUJFWSA-N 0 3 292.383 2.764 20 30 CFEDHN C=CCCCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000175392676 329165309 /nfs/dbraw/zinc/16/53/09/329165309.db2.gz CMXOXNXLDXIDQG-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@@H]1C ZINC000177904576 329190154 /nfs/dbraw/zinc/19/01/54/329190154.db2.gz ZJHVHDWBYQCSDP-IHRRRGAJSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CC[C@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180952789 329224464 /nfs/dbraw/zinc/22/44/64/329224464.db2.gz KGJPUUVRRCLZHK-WDEREUQCSA-N 0 3 285.384 2.844 20 30 CFEDHN C=CCOc1cccc(CNCC2(OC)CCC2)c1 ZINC000181089900 329225839 /nfs/dbraw/zinc/22/58/39/329225839.db2.gz IMIKBTASMNNFCM-UHFFFAOYSA-N 0 3 261.365 2.910 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181281017 329229169 /nfs/dbraw/zinc/22/91/69/329229169.db2.gz BKSCXYBZRZZJOT-HUUCEWRRSA-N 0 3 289.423 2.771 20 30 CFEDHN N#CCCCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181293003 329229801 /nfs/dbraw/zinc/22/98/01/329229801.db2.gz KIXIUGZQYWZUID-OAHLLOKOSA-N 0 3 295.390 2.955 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000185057630 329265190 /nfs/dbraw/zinc/26/51/90/329265190.db2.gz RPZLLLDAAIMMTF-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183372223 329247325 /nfs/dbraw/zinc/24/73/25/329247325.db2.gz YASPNTBEPQQTLN-ZBFHGGJFSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183372203 329247458 /nfs/dbraw/zinc/24/74/58/329247458.db2.gz YASPNTBEPQQTLN-HOCLYGCPSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(Cl)ccc1F ZINC000321071201 329250445 /nfs/dbraw/zinc/25/04/45/329250445.db2.gz ZWYBWAYWPDDOTJ-GFCCVEGCSA-N 0 3 257.736 2.896 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(OC)cc1OC ZINC000321183966 329271661 /nfs/dbraw/zinc/27/16/61/329271661.db2.gz ZYVHNIFLJBDSCI-CHWSQXEVSA-N 0 3 279.380 2.682 20 30 CFEDHN CC#CCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000185444681 329273856 /nfs/dbraw/zinc/27/38/56/329273856.db2.gz BBTAJGWLNUZEGH-MRXNPFEDSA-N 0 3 276.424 2.657 20 30 CFEDHN C=CC[C@H](CC)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000583079697 329311199 /nfs/dbraw/zinc/31/11/99/329311199.db2.gz GNSFFPOKCIMEPV-ZDUSSCGKSA-N 0 3 285.384 2.544 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000186240241 329340229 /nfs/dbraw/zinc/34/02/29/329340229.db2.gz BRVCYROFMPYCMQ-RDJZCZTQSA-N 0 3 278.440 2.825 20 30 CFEDHN COc1ccccc1OCCN1CCC(CC#N)CC1 ZINC000397261214 329346386 /nfs/dbraw/zinc/34/63/86/329346386.db2.gz FYOZUAFFYGLBAF-UHFFFAOYSA-N 0 3 274.364 2.700 20 30 CFEDHN Cc1ccc(CC[C@H](C)NC[C@H](C#N)CCC#N)o1 ZINC000583199412 329358724 /nfs/dbraw/zinc/35/87/24/329358724.db2.gz NTDHGHKNRIEHFJ-JSGCOSHPSA-N 0 3 259.353 2.942 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1CC ZINC000188381868 329366594 /nfs/dbraw/zinc/36/65/94/329366594.db2.gz CSETZVBQXPIDAL-HIFRSBDPSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1CC ZINC000188381825 329366591 /nfs/dbraw/zinc/36/65/91/329366591.db2.gz CSETZVBQXPIDAL-ZFWWWQNUSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000321539186 329372482 /nfs/dbraw/zinc/37/24/82/329372482.db2.gz ZWBGVQHBCNIDEL-OAHLLOKOSA-N 0 3 293.407 2.899 20 30 CFEDHN CC1(C#N)CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000232808157 329391529 /nfs/dbraw/zinc/39/15/29/329391529.db2.gz NHSAHAFGTURJFM-CQSZACIVSA-N 0 3 250.386 2.553 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418653356 329538304 /nfs/dbraw/zinc/53/83/04/329538304.db2.gz OHRWKEFYICXHOA-IUODEOHRSA-N 0 3 275.396 2.513 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1ncc(C)cn1)C(C)C ZINC000124089717 329566672 /nfs/dbraw/zinc/56/66/72/329566672.db2.gz VRMYGVJQUAXPNM-HNNXBMFYSA-N 0 3 274.412 2.896 20 30 CFEDHN CC(C)CCC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000124972216 329576028 /nfs/dbraw/zinc/57/60/28/329576028.db2.gz DQTOCZVWBFLYFS-OAHLLOKOSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000068048770 329851772 /nfs/dbraw/zinc/85/17/72/329851772.db2.gz PAGUTIQZWNRALO-AWEZNQCLSA-N 0 3 281.783 2.754 20 30 CFEDHN COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C2 ZINC000253354765 329962481 /nfs/dbraw/zinc/96/24/81/329962481.db2.gz ICSBEMHSPIBVEO-BPLDGKMQSA-N 0 3 286.375 2.671 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNc1cc(C)nc2ccccc21 ZINC000425283240 330049170 /nfs/dbraw/zinc/04/91/70/330049170.db2.gz ONZHCXSXTOZEOI-GUYCJALGSA-N 0 3 268.360 2.968 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCC#Cc1cccc(F)c1 ZINC000572394617 330057614 /nfs/dbraw/zinc/05/76/14/330057614.db2.gz MHMWRTYCPFGYIG-HNAYVOBHSA-N 0 3 297.373 2.931 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000264941621 330062023 /nfs/dbraw/zinc/06/20/23/330062023.db2.gz GJUWPHMJCYQSSJ-UHFFFAOYSA-N 0 3 293.366 2.923 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccncc1Cl ZINC000421855645 330089188 /nfs/dbraw/zinc/08/91/88/330089188.db2.gz MVKSIPFXYKTTTP-QWRGUYRKSA-N 0 3 254.761 2.713 20 30 CFEDHN C=CCC[C@@H](NC1CCN(OC)CC1)c1ccco1 ZINC000421874096 330100941 /nfs/dbraw/zinc/10/09/41/330100941.db2.gz IIEPVLOXZVSAKQ-CQSZACIVSA-N 0 3 264.369 2.902 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CCN(C(=O)CC)C1)c1ccco1 ZINC000278857165 330120763 /nfs/dbraw/zinc/12/07/63/330120763.db2.gz FFXSAWBCBREQDB-ZIAGYGMSSA-N 0 3 276.380 2.887 20 30 CFEDHN N#CCCC[C@H](NC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000433021990 330124594 /nfs/dbraw/zinc/12/45/94/330124594.db2.gz SOIUDGIEQCKNTF-STQMWFEESA-N 0 3 286.297 2.934 20 30 CFEDHN CCC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424060687 330218727 /nfs/dbraw/zinc/21/87/27/330218727.db2.gz DBCQUCYEGWNPMW-HUUCEWRRSA-N 0 3 273.380 2.665 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424088642 330224256 /nfs/dbraw/zinc/22/42/56/330224256.db2.gz HFXSKSIGFMMGRZ-AWEZNQCLSA-N 0 3 289.379 2.744 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000424093085 330226204 /nfs/dbraw/zinc/22/62/04/330226204.db2.gz RCZAFPCEQPLYQP-GJZGRUSLSA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)[C@@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424096773 330227734 /nfs/dbraw/zinc/22/77/34/330227734.db2.gz PVNQDRYOYNLEJL-HZPDHXFCSA-N 0 3 287.407 2.564 20 30 CFEDHN CC1(C)CC[C@@H](NC(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424111075 330239285 /nfs/dbraw/zinc/23/92/85/330239285.db2.gz GBFPYZJCHLJTPB-HZPDHXFCSA-N 0 3 299.418 2.936 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000424112313 330240250 /nfs/dbraw/zinc/24/02/50/330240250.db2.gz JICDZVIQWUKBRC-HZPDHXFCSA-N 0 3 291.439 2.969 20 30 CFEDHN Cc1cccc(OC(F)F)c1NC(=O)[C@@H](N)CCCC#N ZINC000424114648 330242910 /nfs/dbraw/zinc/24/29/10/330242910.db2.gz RRFYLHQLVWDZGW-JTQLQIEISA-N 0 3 297.305 2.556 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424120134 330247983 /nfs/dbraw/zinc/24/79/83/330247983.db2.gz DNHUGJCNIJHOJO-UWVGGRQHSA-N 0 3 299.827 2.990 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCCCc2ccccc21 ZINC000424122657 330254783 /nfs/dbraw/zinc/25/47/83/330254783.db2.gz JBJUTSRLWARLOX-HNNXBMFYSA-N 0 3 285.391 2.767 20 30 CFEDHN Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424125137 330257978 /nfs/dbraw/zinc/25/79/78/330257978.db2.gz NGRTYTRDVZLNTQ-ZBFHGGJFSA-N 0 3 287.407 2.844 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424129588 330260118 /nfs/dbraw/zinc/26/01/18/330260118.db2.gz SFORVOPZJVEKIZ-KGLIPLIRSA-N 0 3 279.428 2.682 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1cc(F)ccc1F ZINC000424135717 330270664 /nfs/dbraw/zinc/27/06/64/330270664.db2.gz ZSECREZUWAQAHJ-KGLIPLIRSA-N 0 3 295.333 2.553 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](n2cccn2)C(F)(F)F)C1 ZINC000527938076 330293734 /nfs/dbraw/zinc/29/37/34/330293734.db2.gz JCYZTZOMODUPIS-GRYCIOLGSA-N 0 3 286.301 2.658 20 30 CFEDHN CCC1(CC)CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424171530 330311752 /nfs/dbraw/zinc/31/17/52/330311752.db2.gz LZWYTSNGBKOYNX-CQSZACIVSA-N 0 3 279.428 2.873 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc(-c2ccccc2)c[nH]1 ZINC000424178191 330318081 /nfs/dbraw/zinc/31/80/81/330318081.db2.gz VRQHDZWUALHHKZ-HOCLYGCPSA-N 0 3 283.375 2.757 20 30 CFEDHN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H](N)CCCC#N)C2)c1 ZINC000424192820 330323971 /nfs/dbraw/zinc/32/39/71/330323971.db2.gz STJPGYHBPWUCFI-NVXWUHKLSA-N 0 3 299.418 2.641 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000106034209 330331301 /nfs/dbraw/zinc/33/13/01/330331301.db2.gz ZHSQPWJJAKIPBZ-MSOLQXFVSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@H](c3ccccc3)[C@@H]2C)nn1 ZINC000424289735 330334422 /nfs/dbraw/zinc/33/44/22/330334422.db2.gz ACNHPOIZPCJFPJ-RRQGHBQHSA-N 0 3 282.391 2.746 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCc2cccc(C)c2)nn1 ZINC000424294714 330335741 /nfs/dbraw/zinc/33/57/41/330335741.db2.gz LIYXSAMRZQITEK-HNNXBMFYSA-N 0 3 284.407 2.883 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCC[C@@H]2C2CC2)nn1 ZINC000424300476 330337124 /nfs/dbraw/zinc/33/71/24/330337124.db2.gz XWFICEYSOKHGSI-HUUCEWRRSA-N 0 3 260.385 2.523 20 30 CFEDHN N#CC1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000057872258 330379136 /nfs/dbraw/zinc/37/91/36/330379136.db2.gz FQQNQVLPSJNWSC-UHFFFAOYSA-N 0 3 266.348 2.608 20 30 CFEDHN C#CCN(CC[C@@H]1CCOC1=O)[C@@H]1CCc2ccccc21 ZINC000120174415 330386048 /nfs/dbraw/zinc/38/60/48/330386048.db2.gz GJOQZHBLRLARAP-NVXWUHKLSA-N 0 3 283.371 2.562 20 30 CFEDHN C#CCN(CC[C@H]1CCOC1=O)[C@@H]1CCc2ccccc21 ZINC000120174596 330386118 /nfs/dbraw/zinc/38/61/18/330386118.db2.gz GJOQZHBLRLARAP-DOTOQJQBSA-N 0 3 283.371 2.562 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000090451351 330392726 /nfs/dbraw/zinc/39/27/26/330392726.db2.gz HDVJWLUOVYZYON-DJJJIMSYSA-N 0 3 281.421 2.667 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000120865963 330393161 /nfs/dbraw/zinc/39/31/61/330393161.db2.gz AEHIXWZLVACRHH-XHSDSOJGSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCN(C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000121181206 330397220 /nfs/dbraw/zinc/39/72/20/330397220.db2.gz NLFHISKZWBSWTB-UHFFFAOYSA-N 0 3 283.755 2.623 20 30 CFEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@H]1CCOC1 ZINC000162817927 330469169 /nfs/dbraw/zinc/46/91/69/330469169.db2.gz DFKSHKZVNILKPT-JSGCOSHPSA-N 0 3 263.768 2.706 20 30 CFEDHN CC(C)(C)CCN1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429727414 330553932 /nfs/dbraw/zinc/55/39/32/330553932.db2.gz WZTCMXKKHBGNRX-CABCVRRESA-N 0 3 263.429 2.732 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)C(C)(C)CO ZINC000429728146 330554002 /nfs/dbraw/zinc/55/40/02/330554002.db2.gz YHPUCDLTDDIESJ-JKSUJKDBSA-N 0 3 277.408 2.663 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000429800561 330555177 /nfs/dbraw/zinc/55/51/77/330555177.db2.gz RWWQFKRNJNFLAT-NSHDSACASA-N 0 3 259.309 2.939 20 30 CFEDHN CC[C@@H](C)NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433022902 330612754 /nfs/dbraw/zinc/61/27/54/330612754.db2.gz YCYHRFLXJHEUPT-GDBMZVCRSA-N 0 3 287.407 2.926 20 30 CFEDHN COc1ccccc1[C@H](CN[C@@H]1CC[C@H](C#N)C1)N(C)C ZINC000442633305 330777689 /nfs/dbraw/zinc/77/76/89/330777689.db2.gz INJDFDQAAZMPCU-LZWOXQAQSA-N 0 3 287.407 2.580 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000442708398 330780202 /nfs/dbraw/zinc/78/02/02/330780202.db2.gz IXEZCPPJSGCUDE-HOCLYGCPSA-N 0 3 284.407 2.854 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)C1 ZINC000442714893 330780458 /nfs/dbraw/zinc/78/04/58/330780458.db2.gz MATJEJOZSTYPFD-YOEHRIQHSA-N 0 3 280.375 2.713 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000442719078 330780601 /nfs/dbraw/zinc/78/06/01/330780601.db2.gz QXRTWJTWRTXSSE-UKRRQHHQSA-N 0 3 283.375 2.595 20 30 CFEDHN COCc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000442764172 330781503 /nfs/dbraw/zinc/78/15/03/330781503.db2.gz CFQZHKBELHYDSI-BXUZGUMPSA-N 0 3 262.328 2.754 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1 ZINC000442857283 330787589 /nfs/dbraw/zinc/78/75/89/330787589.db2.gz SPIKVHCVILSZLQ-DDTOSNHZSA-N 0 3 291.782 2.538 20 30 CFEDHN COC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000442864077 330788300 /nfs/dbraw/zinc/78/83/00/330788300.db2.gz YLDOFYNQXZRTKF-DFBGVHRSSA-N 0 3 262.328 2.795 20 30 CFEDHN COc1ccc(C2(NCCCC#N)CCOCC2)cc1F ZINC000444808789 330826523 /nfs/dbraw/zinc/82/65/23/330826523.db2.gz ANDUUJBJRIOABF-UHFFFAOYSA-N 0 3 292.354 2.733 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC(F)F)cc1 ZINC000449518701 330933101 /nfs/dbraw/zinc/93/31/01/330933101.db2.gz KLNJBYQPNQKPQM-KGLIPLIRSA-N 0 3 283.318 2.764 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)cc1 ZINC000449519053 330933128 /nfs/dbraw/zinc/93/31/28/330933128.db2.gz LBGCQBUPTJDFSB-OLZOCXBDSA-N 0 3 282.181 2.882 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC(F)F)c1 ZINC000449521523 330933531 /nfs/dbraw/zinc/93/35/31/330933531.db2.gz SANRTZFVAPGUKC-OLZOCXBDSA-N 0 3 269.291 2.721 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C)c2ncccc2c1 ZINC000449522562 330933582 /nfs/dbraw/zinc/93/35/82/330933582.db2.gz VJCIGPRIWJCALG-CVEARBPZSA-N 0 3 268.360 2.976 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(SC)s1 ZINC000449696290 330944295 /nfs/dbraw/zinc/94/42/95/330944295.db2.gz HLDWMDAVJCCTOO-SNVBAGLBSA-N 0 3 257.424 2.887 20 30 CFEDHN CN(C)c1ccncc1CNc1cccc(CC#N)c1 ZINC000449699669 330944618 /nfs/dbraw/zinc/94/46/18/330944618.db2.gz OZEKGXXEOHXGNO-UHFFFAOYSA-N 0 3 266.348 2.826 20 30 CFEDHN N#CC1(CN2CCC[C@@]2(CO)Cc2ccccc2)CCC1 ZINC000450831180 331001713 /nfs/dbraw/zinc/00/17/13/331001713.db2.gz FVKUPPGAUOVFBU-SFHVURJKSA-N 0 3 284.403 2.750 20 30 CFEDHN O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000451414033 331028397 /nfs/dbraw/zinc/02/83/97/331028397.db2.gz CRDJFPLPYSVZBZ-FGTMMUONSA-N 0 3 287.378 2.803 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451507417 331031867 /nfs/dbraw/zinc/03/18/67/331031867.db2.gz VKBKUZFOVLKJJK-CABCVRRESA-N 0 3 296.455 2.593 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451507420 331031883 /nfs/dbraw/zinc/03/18/83/331031883.db2.gz VKBKUZFOVLKJJK-LSDHHAIUSA-N 0 3 296.455 2.593 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000451600193 331035908 /nfs/dbraw/zinc/03/59/08/331035908.db2.gz QNTBETMPKIMIKJ-IMJJTQAJSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CCOC)c1ccccc1 ZINC000451607661 331036459 /nfs/dbraw/zinc/03/64/59/331036459.db2.gz LCUQMCNRTUMINR-OAGGEKHMSA-N 0 3 261.365 2.697 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cncc(C(F)(F)F)c1 ZINC000451612922 331037015 /nfs/dbraw/zinc/03/70/15/331037015.db2.gz LTKXMVJINDPNEM-NEPJUHHUSA-N 0 3 272.270 2.534 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451894922 331046595 /nfs/dbraw/zinc/04/65/95/331046595.db2.gz SKLMHJHWKJFNQR-RYUDHWBXSA-N 0 3 292.345 2.952 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@@H](C)CCC1(C)C ZINC000452013631 331050460 /nfs/dbraw/zinc/05/04/60/331050460.db2.gz ZDBOJLKSXXCUBR-ZDUSSCGKSA-N 0 3 252.402 2.674 20 30 CFEDHN CC#CCN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452027048 331050942 /nfs/dbraw/zinc/05/09/42/331050942.db2.gz VWANOCBBLAGAGU-LSDHHAIUSA-N 0 3 296.336 2.630 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452062643 331052581 /nfs/dbraw/zinc/05/25/81/331052581.db2.gz UERLZSKOBLFKMX-HIFRSBDPSA-N 0 3 295.448 2.869 20 30 CFEDHN C=CCOCCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452063599 331052588 /nfs/dbraw/zinc/05/25/88/331052588.db2.gz XGWSVPCVMRHXNO-AWEZNQCLSA-N 0 3 281.421 2.744 20 30 CFEDHN CN(CC1(C#N)CC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452107021 331054465 /nfs/dbraw/zinc/05/44/65/331054465.db2.gz ADDNULHFTHYIPC-UHFFFAOYSA-N 0 3 289.345 2.639 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000452119430 331054987 /nfs/dbraw/zinc/05/49/87/331054987.db2.gz IAFKCYHBKUYJAF-GOEBONIOSA-N 0 3 286.419 2.978 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453341890 331119241 /nfs/dbraw/zinc/11/92/41/331119241.db2.gz DIGPXKRAHFUSTA-LNSITVRQSA-N 0 3 276.336 2.897 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000453343016 331119471 /nfs/dbraw/zinc/11/94/71/331119471.db2.gz DOCWTMHYSPIFOI-OLMNPRSZSA-N 0 3 297.402 2.926 20 30 CFEDHN C=C(CC)CN[C@H](CN1CCOCC1)c1ccccc1C ZINC000453349188 331120396 /nfs/dbraw/zinc/12/03/96/331120396.db2.gz HKCIOGLLUZSJPE-GOSISDBHSA-N 0 3 288.435 2.924 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453372976 331124210 /nfs/dbraw/zinc/12/42/10/331124210.db2.gz VPNNFXNJMGMASN-CZUORRHYSA-N 0 3 290.363 2.889 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1sccc1OC ZINC000453375344 331124794 /nfs/dbraw/zinc/12/47/94/331124794.db2.gz WRARYLOSJZMSBF-GHMZBOCLSA-N 0 3 255.383 2.734 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000453376568 331124893 /nfs/dbraw/zinc/12/48/93/331124893.db2.gz XPXSPTXMKXHPNV-DFBGVHRSSA-N 0 3 277.412 2.941 20 30 CFEDHN C=CC[C@H](CO)NCc1sc(C)cc1Br ZINC000453578505 331134691 /nfs/dbraw/zinc/13/46/91/331134691.db2.gz YWBBNDSCXZGTJK-SECBINFHSA-N 0 3 290.226 2.846 20 30 CFEDHN Cc1sccc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000453588932 331135116 /nfs/dbraw/zinc/13/51/16/331135116.db2.gz ZSEBKQDCXMUXSR-LBPRGKRZSA-N 0 3 271.345 2.953 20 30 CFEDHN C=CCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454142509 331139609 /nfs/dbraw/zinc/13/96/09/331139609.db2.gz KHIQOOIHINORDI-UHFFFAOYSA-N 0 3 287.407 2.526 20 30 CFEDHN C=C(CC)CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000454206590 331141732 /nfs/dbraw/zinc/14/17/32/331141732.db2.gz YLISPYJLVDNSPN-UHFFFAOYSA-N 0 3 267.417 2.516 20 30 CFEDHN C=C(C)CCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000454486521 331147193 /nfs/dbraw/zinc/14/71/93/331147193.db2.gz UGUGKLLPJUPCAR-UHFFFAOYSA-N 0 3 291.395 2.715 20 30 CFEDHN C=C(CC)CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000454490559 331147335 /nfs/dbraw/zinc/14/73/35/331147335.db2.gz YNMVCDROLOKNTJ-UHFFFAOYSA-N 0 3 291.395 2.715 20 30 CFEDHN C=C(CC)CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000454772126 331153149 /nfs/dbraw/zinc/15/31/49/331153149.db2.gz VPDNLBSUDKTXFM-OAHLLOKOSA-N 0 3 289.423 2.772 20 30 CFEDHN C=CCCc1ccccc1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000455388997 331168407 /nfs/dbraw/zinc/16/84/07/331168407.db2.gz WBEXTKQERXVFMK-WBVHZDCISA-N 0 3 299.418 2.973 20 30 CFEDHN CS[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456055128 331183507 /nfs/dbraw/zinc/18/35/07/331183507.db2.gz GFUZXDSARYKMFK-HUUCEWRRSA-N 0 3 288.416 2.723 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000456116612 331184605 /nfs/dbraw/zinc/18/46/05/331184605.db2.gz NCGFJECPZRNRGS-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(CC#N)c1)N1[C@H](C)CC[C@H]1C ZINC000456724114 331199250 /nfs/dbraw/zinc/19/92/50/331199250.db2.gz FMSJWXLDWDGWDD-MGPQQGTHSA-N 0 3 285.391 2.952 20 30 CFEDHN N#CC1(NC(=O)C2CN(C3CCCCC3)C2)CCCCC1 ZINC000457506310 331225232 /nfs/dbraw/zinc/22/52/32/331225232.db2.gz OMWUTAYYEASBQR-UHFFFAOYSA-N 0 3 289.423 2.594 20 30 CFEDHN C=C(CC)CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000457522664 331225770 /nfs/dbraw/zinc/22/57/70/331225770.db2.gz GXBZSIQXXZTAKJ-OAHLLOKOSA-N 0 3 275.396 2.555 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2(C(C)C)CC2)CC1 ZINC000458318280 331248379 /nfs/dbraw/zinc/24/83/79/331248379.db2.gz IZVORWNEBIXIEI-UHFFFAOYSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458623271 331254527 /nfs/dbraw/zinc/25/45/27/331254527.db2.gz QJYGHFUMEIBDKL-DOTOQJQBSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000458776992 331259611 /nfs/dbraw/zinc/25/96/11/331259611.db2.gz SFMQMKPSZQOOQS-KBPBESRZSA-N 0 3 293.411 2.974 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458807819 331260482 /nfs/dbraw/zinc/26/04/82/331260482.db2.gz GQFCILKKILKEMA-QGZVFWFLSA-N 0 3 293.455 2.716 20 30 CFEDHN C=CC(C)(C)CNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000458993487 331264952 /nfs/dbraw/zinc/26/49/52/331264952.db2.gz XQICYABAQHXOCY-UHFFFAOYSA-N 0 3 293.411 2.565 20 30 CFEDHN C=C(C)CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000459031007 331267320 /nfs/dbraw/zinc/26/73/20/331267320.db2.gz VLEHIQMCFUMNQN-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=CCC1(CNC(=O)N(C)CCN2CCCC2)CCCC1 ZINC000459050432 331268402 /nfs/dbraw/zinc/26/84/02/331268402.db2.gz NBUCLZRBFKRGDM-UHFFFAOYSA-N 0 3 293.455 2.860 20 30 CFEDHN C=CC[C@@H]1N(Cc2cnnn2CC)CCCC1(C)C ZINC000459437664 331281196 /nfs/dbraw/zinc/28/11/96/331281196.db2.gz ZNXHULXKPJROOE-AWEZNQCLSA-N 0 3 262.401 2.865 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN[C@@H]1CCC[C@@H]1C#N ZINC000459479741 331283984 /nfs/dbraw/zinc/28/39/84/331283984.db2.gz OHFFQTFJMYWYFM-CHWSQXEVSA-N 0 3 266.385 2.638 20 30 CFEDHN C=C(CC)CNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000459564674 331288074 /nfs/dbraw/zinc/28/80/74/331288074.db2.gz SKEQEPWBDDDNFV-HNNXBMFYSA-N 0 3 274.408 2.968 20 30 CFEDHN CC(C)(CC#N)CNCc1ccc(-n2ccnc2)cc1 ZINC000459698683 331294904 /nfs/dbraw/zinc/29/49/04/331294904.db2.gz QYAINCAQLGPICY-UHFFFAOYSA-N 0 3 268.364 2.902 20 30 CFEDHN Cn1c2ccc(CNCC(C)(C)CC#N)cc2sc1=O ZINC000459726332 331296071 /nfs/dbraw/zinc/29/60/71/331296071.db2.gz FALPRTIYNHHQDN-UHFFFAOYSA-N 0 3 289.404 2.629 20 30 CFEDHN COc1ccccc1-n1nccc1CNCC(C)(C)CC#N ZINC000459732645 331296703 /nfs/dbraw/zinc/29/67/03/331296703.db2.gz OTQWLVQYFCFYMV-UHFFFAOYSA-N 0 3 298.390 2.910 20 30 CFEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CC(C)(C)C1 ZINC000459744488 331297824 /nfs/dbraw/zinc/29/78/24/331297824.db2.gz ROYWPLDXFILKCI-UHFFFAOYSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCc1cc(CN[C@@H]2CCO[C@H]2CC)cc(OC)c1O ZINC000459748398 331298063 /nfs/dbraw/zinc/29/80/63/331298063.db2.gz WSUCNPQQNFHOBK-CABCVRRESA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000466050196 331388971 /nfs/dbraw/zinc/38/89/71/331388971.db2.gz NEQHFLBQEOZSHW-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCCCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000471681340 331515235 /nfs/dbraw/zinc/51/52/35/331515235.db2.gz ZQUSWTYIAUMBHR-UHFFFAOYSA-N 0 3 260.381 2.834 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)C(C)(C)C1 ZINC000300779731 331923714 /nfs/dbraw/zinc/92/37/14/331923714.db2.gz BGRMGYPADSZERH-GFCCVEGCSA-N 0 3 281.400 2.525 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)NC)cc1 ZINC000489426417 332051610 /nfs/dbraw/zinc/05/16/10/332051610.db2.gz BRUNRDMEDKCSMA-OAHLLOKOSA-N 0 3 258.365 2.587 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1F ZINC000489431524 332051827 /nfs/dbraw/zinc/05/18/27/332051827.db2.gz HSKUMRKQWKFNBB-HZPDHXFCSA-N 0 3 293.382 2.744 20 30 CFEDHN CC(C)[C@@H](C(=O)NCC(C)(C)CCC#N)N1CCCCC1 ZINC000489882343 332071653 /nfs/dbraw/zinc/07/16/53/332071653.db2.gz HLGAOVHJKSBVQP-HNNXBMFYSA-N 0 3 293.455 2.943 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490090230 332081197 /nfs/dbraw/zinc/08/11/97/332081197.db2.gz LCHACDPWDQMPCC-YQQAZPJKSA-N 0 3 286.419 2.864 20 30 CFEDHN C#CCN1CCC(C(=O)NCCCCC(C)(C)C)CC1 ZINC000490617565 332096308 /nfs/dbraw/zinc/09/63/08/332096308.db2.gz RBUPPPUYMXTPNU-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(CC)Cc1cccc(OCCCC#N)c1 ZINC000490892797 332124823 /nfs/dbraw/zinc/12/48/23/332124823.db2.gz OUTIAVQPLRIAFV-UHFFFAOYSA-N 0 3 256.349 2.824 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2c(C)cccc2C)CC1 ZINC000490948326 332132126 /nfs/dbraw/zinc/13/21/26/332132126.db2.gz DPXPUGFUSOAHQW-INIZCTEOSA-N 0 3 298.430 2.826 20 30 CFEDHN C#C[C@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(Cl)cc1F ZINC000491096667 332149248 /nfs/dbraw/zinc/14/92/48/332149248.db2.gz VHEFGZKEBXWVTA-UONOGXRCSA-N 0 3 296.773 2.610 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000491165077 332159470 /nfs/dbraw/zinc/15/94/70/332159470.db2.gz IJEDJLOWMPGJFS-CYBMUJFWSA-N 0 3 251.757 2.717 20 30 CFEDHN C#C[C@H](CCC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000491304419 332185983 /nfs/dbraw/zinc/18/59/83/332185983.db2.gz FZTLZPRKBJNCQA-QGZVFWFLSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CCN(CC)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491655666 332267692 /nfs/dbraw/zinc/26/76/92/332267692.db2.gz CFPIZUXEUQBUMO-CQSZACIVSA-N 0 3 280.412 2.589 20 30 CFEDHN C#CCNC(=O)CCN[C@@H]1CCCc2sc(Cl)cc21 ZINC000491663212 332272620 /nfs/dbraw/zinc/27/26/20/332272620.db2.gz CWLUTXDOEWJORU-LLVKDONJSA-N 0 3 296.823 2.508 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000575367526 335098204 /nfs/dbraw/zinc/09/82/04/335098204.db2.gz ILALVCJQHIBMJV-IAQYHMDHSA-N 0 3 279.343 2.757 20 30 CFEDHN C#C[C@@H](NC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 ZINC000491691713 332288317 /nfs/dbraw/zinc/28/83/17/332288317.db2.gz HBYSZRXHFGLQFB-MRXNPFEDSA-N 0 3 290.794 2.615 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000491699943 332294634 /nfs/dbraw/zinc/29/46/34/332294634.db2.gz VFEJSKDQLLXQIK-CQSZACIVSA-N 0 3 287.359 2.512 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000491761109 332331561 /nfs/dbraw/zinc/33/15/61/332331561.db2.gz UPPDPOAXSHANAO-SNVBAGLBSA-N 0 3 282.746 2.761 20 30 CFEDHN C#CCNC(=O)CCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000491761139 332331733 /nfs/dbraw/zinc/33/17/33/332331733.db2.gz UTYIMTWFTBDNAJ-SFHVURJKSA-N 0 3 296.414 2.743 20 30 CFEDHN C#C[C@@H](NC[C@@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000491773970 332339878 /nfs/dbraw/zinc/33/98/78/332339878.db2.gz SGZNQFBVLDIQES-ZIAGYGMSSA-N 0 3 269.747 2.760 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cccc(OCCCOC)c1 ZINC000491773893 332340011 /nfs/dbraw/zinc/34/00/11/332340011.db2.gz WACGDHGFVZPMRR-AWEZNQCLSA-N 0 3 261.365 2.555 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC[C@@H](C)c1ccccc1 ZINC000491790635 332352687 /nfs/dbraw/zinc/35/26/87/332352687.db2.gz ZVIOBWMKRCGCGF-MRXNPFEDSA-N 0 3 286.419 2.642 20 30 CFEDHN C#CCNc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000491794704 332354365 /nfs/dbraw/zinc/35/43/65/332354365.db2.gz RYHUYXALDWXZPC-UHFFFAOYSA-N 0 3 278.783 2.858 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C/c2ccc(C)cc2)CC1 ZINC000491911127 332374825 /nfs/dbraw/zinc/37/48/25/332374825.db2.gz ZTULSNGZENCRMY-MDZDMXLPSA-N 0 3 296.414 2.612 20 30 CFEDHN C[C@H](C#N)CNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496702934 332557241 /nfs/dbraw/zinc/55/72/41/332557241.db2.gz QOQGNDHZGJISRX-RDBSUJKOSA-N 0 3 295.427 2.771 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CCCC)CC1 ZINC000503314608 332685918 /nfs/dbraw/zinc/68/59/18/332685918.db2.gz RZOBCIYZOJMOND-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C1CCC1)C(C)C ZINC000173927380 332986326 /nfs/dbraw/zinc/98/63/26/332986326.db2.gz GBFVJWSWEFYQFT-MRXNPFEDSA-N 0 3 293.455 2.879 20 30 CFEDHN CC#CCCN1CCCN(c2ccccc2F)CC1 ZINC000513380977 333016501 /nfs/dbraw/zinc/01/65/01/333016501.db2.gz NUSHBBTZPPTFBP-UHFFFAOYSA-N 0 3 260.356 2.751 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000176678107 333045654 /nfs/dbraw/zinc/04/56/54/333045654.db2.gz XOKDYZMESYQGJR-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2cccc(CC)c2)CC1 ZINC000178541271 333074914 /nfs/dbraw/zinc/07/49/14/333074914.db2.gz BLXBIRSNVYQTGQ-UHFFFAOYSA-N 0 3 286.419 2.558 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CC12CCSCC2 ZINC000516963951 333088258 /nfs/dbraw/zinc/08/82/58/333088258.db2.gz FZWFXIPKYKTVBB-STQMWFEESA-N 0 3 263.410 2.553 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000184288895 333126525 /nfs/dbraw/zinc/12/65/25/333126525.db2.gz GUCOBFUNMOJAHC-AWEZNQCLSA-N 0 3 274.408 2.967 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000185498299 333142176 /nfs/dbraw/zinc/14/21/76/333142176.db2.gz RZGTWCXTKMTUCY-OAHLLOKOSA-N 0 3 289.423 2.574 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000185656657 333146117 /nfs/dbraw/zinc/14/61/17/333146117.db2.gz LLIQFCSYUYFLGO-MJBXVCDLSA-N 0 3 252.402 2.530 20 30 CFEDHN CC1(C)[C@H](O)C[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000189334612 333190563 /nfs/dbraw/zinc/19/05/63/333190563.db2.gz PUCFBEDYQPFUNI-HZPDHXFCSA-N 0 3 288.391 2.618 20 30 CFEDHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NC[C@H](C)C#N ZINC000223976645 333214832 /nfs/dbraw/zinc/21/48/32/333214832.db2.gz NXUYMHBGWHHHTR-MCIONIFRSA-N 0 3 295.427 2.914 20 30 CFEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cn[nH]c1 ZINC000224761288 333225325 /nfs/dbraw/zinc/22/53/25/333225325.db2.gz SZQICFHQSPHVHL-VXGBXAGGSA-N 0 3 270.336 2.724 20 30 CFEDHN C=CCN(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195226759 333248266 /nfs/dbraw/zinc/24/82/66/333248266.db2.gz BIGHWHCHHFCXHU-HNNXBMFYSA-N 0 3 268.401 2.751 20 30 CFEDHN C=CCCCCCN1CCCN(CCC)C(=O)C1 ZINC000193576734 333253599 /nfs/dbraw/zinc/25/35/99/333253599.db2.gz SSAUYEAUPDTXQQ-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000194592537 333273126 /nfs/dbraw/zinc/27/31/26/333273126.db2.gz IMYIHRYQFSPPQC-ZDUSSCGKSA-N 0 3 289.379 2.621 20 30 CFEDHN Cc1nc(-c2ccc(CNC(=O)C(C)C#N)cc2)cs1 ZINC000522979384 333302772 /nfs/dbraw/zinc/30/27/72/333302772.db2.gz NMPANUNKWHFXDK-JTQLQIEISA-N 0 3 285.372 2.894 20 30 CFEDHN CC#CCN(C)CCc1ccc(Br)cc1 ZINC000525122130 333399846 /nfs/dbraw/zinc/39/98/46/333399846.db2.gz VXWHFTJFZVVJKZ-UHFFFAOYSA-N 0 3 266.182 2.947 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccnc1C(F)(F)F ZINC000528520237 333431770 /nfs/dbraw/zinc/43/17/70/333431770.db2.gz PRWQMCUMIPWBGT-NEPJUHHUSA-N 0 3 286.297 2.924 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)c2ccco2)CC1 ZINC000528447983 333438442 /nfs/dbraw/zinc/43/84/42/333438442.db2.gz JITXHIFDKGWWNV-AWEZNQCLSA-N 0 3 290.407 2.930 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC#Cc1ccc(F)cc1 ZINC000528757072 333455774 /nfs/dbraw/zinc/45/57/74/333455774.db2.gz BDZTVOFPDGILRP-OQMKEHIESA-N 0 3 261.340 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000128910687 333726424 /nfs/dbraw/zinc/72/64/24/333726424.db2.gz HGPXEVJAUBUDPN-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCC[C@@H](C)N[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000542209832 333816131 /nfs/dbraw/zinc/81/61/31/333816131.db2.gz JBHQCEPSQYTGQH-DOMZBBRYSA-N 0 3 278.371 2.557 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N(CC#N)C2CCCC2)c1 ZINC000074680218 334011711 /nfs/dbraw/zinc/01/17/11/334011711.db2.gz IRYCSEWULHGRKQ-UHFFFAOYSA-N 0 3 285.391 2.657 20 30 CFEDHN C=C(C)COCCNCc1cnc(C(C)C)s1 ZINC000134506746 334092584 /nfs/dbraw/zinc/09/25/84/334092584.db2.gz LGBIZUXPXAPHCB-UHFFFAOYSA-N 0 3 254.399 2.949 20 30 CFEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1CC1 ZINC000077194718 334098007 /nfs/dbraw/zinc/09/80/07/334098007.db2.gz RTYVWRKRKXSXPT-XOYHFGRZSA-N 0 3 291.439 2.648 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCN1CC ZINC000245935793 334224680 /nfs/dbraw/zinc/22/46/80/334224680.db2.gz TYYGHMKFALEBQY-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246733396 334268351 /nfs/dbraw/zinc/26/83/51/334268351.db2.gz GIPOFCGUBOURMA-ZMSDIMECSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(C)(c2ccccc2)CC1 ZINC000153664494 334676160 /nfs/dbraw/zinc/67/61/60/334676160.db2.gz CGDYXHQKARNWQN-OAHLLOKOSA-N 0 3 286.419 2.731 20 30 CFEDHN C[C@H](C(=O)N1CCC(CCC#N)CC1)N1CCCCCC1 ZINC000567389362 334711695 /nfs/dbraw/zinc/71/16/95/334711695.db2.gz UARSKFMTSCXPNK-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1cccc2c1CCNC2 ZINC000568369904 334819946 /nfs/dbraw/zinc/81/99/46/334819946.db2.gz FVOFQTCXAHKZNL-ZDUSSCGKSA-N 0 3 273.380 2.809 20 30 CFEDHN CCO[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)C12CCCC2 ZINC000576302165 335187054 /nfs/dbraw/zinc/18/70/54/335187054.db2.gz OIJPNTOCSNWRPM-RRFJBIMHSA-N 0 3 275.396 2.757 20 30 CFEDHN C[C@@](C#N)(NC(=O)CN[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000192504704 335266824 /nfs/dbraw/zinc/26/68/24/335266824.db2.gz DQXOORDWHHSTBL-MSOLQXFVSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC(C)C)C(C)C ZINC000192849055 335312932 /nfs/dbraw/zinc/31/29/32/335312932.db2.gz MJLBFBULUOLTIA-UHFFFAOYSA-N 0 3 252.402 2.553 20 30 CFEDHN CN1CCC[C@H](CNCCC#N)[C@@H]1c1cccs1 ZINC000577216852 335324520 /nfs/dbraw/zinc/32/45/20/335324520.db2.gz VSOHZZFHPURNHJ-TZMCWYRMSA-N 0 3 263.410 2.634 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(C)cc1 ZINC000192945030 335329007 /nfs/dbraw/zinc/32/90/07/335329007.db2.gz ZOOZYLKXWQOMAI-GDBMZVCRSA-N 0 3 287.407 2.796 20 30 CFEDHN C=CC[C@@H]1N(C(=O)CN2CC[C@H](C)C2)CCCC1(C)C ZINC000577744787 335396115 /nfs/dbraw/zinc/39/61/15/335396115.db2.gz WQARMUCLEBGDHV-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1sccc1OC ZINC000349425739 335466747 /nfs/dbraw/zinc/46/67/47/335466747.db2.gz VMLHIKIXQAPSGM-MNOVXSKESA-N 0 3 255.383 2.592 20 30 CFEDHN N#CCCC1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000578527917 335645905 /nfs/dbraw/zinc/64/59/05/335645905.db2.gz UCZNWWCNSMVTBW-OAHLLOKOSA-N 0 3 266.385 2.545 20 30 CFEDHN CC1CCC(O)(CNCC#Cc2cccc(F)c2)CC1 ZINC000578741912 335668365 /nfs/dbraw/zinc/66/83/65/335668365.db2.gz LVJQNJMJWDHTAX-UHFFFAOYSA-N 0 3 275.367 2.708 20 30 CFEDHN C[C@@H](CC1CCCCC1)CN1CCN(CC#N)CC1 ZINC000183319880 335888347 /nfs/dbraw/zinc/88/83/47/335888347.db2.gz YSQAMFSOELMFDO-HNNXBMFYSA-N 0 3 263.429 2.734 20 30 CFEDHN CO[C@@H](CNC1CC(C#N)(c2ccccc2)C1)C(C)C ZINC000364254976 335897791 /nfs/dbraw/zinc/89/77/91/335897791.db2.gz NAGBWPVSELWTBH-CGZBRXJRSA-N 0 3 272.392 2.871 20 30 CFEDHN C=CCN1CCC(Nc2nccc3cc(F)ccc32)CC1 ZINC000581127748 336011841 /nfs/dbraw/zinc/01/18/41/336011841.db2.gz GWRBRUMMBPPMKB-UHFFFAOYSA-N 0 3 285.366 2.858 20 30 CFEDHN C=CCCCCN[C@](C)(CC(=O)OC)c1ccccn1 ZINC000581351207 336057602 /nfs/dbraw/zinc/05/76/02/336057602.db2.gz FQWTXFOJYMUMJQ-MRXNPFEDSA-N 0 3 276.380 2.806 20 30 CFEDHN C=CCCCCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000581677254 336127273 /nfs/dbraw/zinc/12/72/73/336127273.db2.gz VBBGZXBHYCDUFF-OAHLLOKOSA-N 0 3 278.371 2.731 20 30 CFEDHN C=C(C)CCNCc1cnn(Cc2ccccc2)c1 ZINC000386954409 336183165 /nfs/dbraw/zinc/18/31/65/336183165.db2.gz XZBFTEAXDCYRCN-UHFFFAOYSA-N 0 3 255.365 2.987 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001085552869 782096717 /nfs/dbraw/zinc/09/67/17/782096717.db2.gz QFZBZNYWVNPJFG-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085676989 782132856 /nfs/dbraw/zinc/13/28/56/782132856.db2.gz BYPRLKXIHOYMKM-AWEZNQCLSA-N 0 3 290.407 2.955 20 30 CFEDHN COc1cc(CNC[C@H](CC(C)C)OC)ccc1C#N ZINC000418092294 533883299 /nfs/dbraw/zinc/88/32/99/533883299.db2.gz HORYMIHFQXQMLL-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000336608948 533939240 /nfs/dbraw/zinc/93/92/40/533939240.db2.gz DXASZDQMUZOQNT-CZUORRHYSA-N 0 3 299.418 2.700 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000330237728 534009954 /nfs/dbraw/zinc/00/99/54/534009954.db2.gz UWICAWSMHYBSHE-KNXALSJPSA-N 0 3 299.374 2.692 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)NC1CCCC1 ZINC000425529078 534079516 /nfs/dbraw/zinc/07/95/16/534079516.db2.gz AMAVOCVPJXAYIG-AWEZNQCLSA-N 0 3 299.418 3.000 20 30 CFEDHN C[C@@H](CNc1ncc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000413050269 534096162 /nfs/dbraw/zinc/09/61/62/534096162.db2.gz DCHJNEXJILHGHN-NEPJUHHUSA-N 0 3 276.359 2.625 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000336621465 534281881 /nfs/dbraw/zinc/28/18/81/534281881.db2.gz RZHAAVDBGUYUSP-ZJUUUORDSA-N 0 3 273.361 2.975 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000347058840 534283512 /nfs/dbraw/zinc/28/35/12/534283512.db2.gz BWQGGFSRZLTWSI-BDAKNGLRSA-N 0 3 268.263 2.625 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000347069045 534284535 /nfs/dbraw/zinc/28/45/35/534284535.db2.gz MTMPCOYBNSQHQZ-RISCZKNCSA-N 0 3 254.289 2.645 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000335865224 534284662 /nfs/dbraw/zinc/28/46/62/534284662.db2.gz HOOYHOQLUDCNIP-HTQZYQBOSA-N 0 3 299.143 2.925 20 30 CFEDHN CC(C)(C)[C@H](CCO)NCc1cccc(C#N)c1F ZINC000230893474 518956478 /nfs/dbraw/zinc/95/64/78/518956478.db2.gz ILPBIQFIEHUHLU-ZDUSSCGKSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)C[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000305804642 519223176 /nfs/dbraw/zinc/22/31/76/519223176.db2.gz FWRKWLUAPGWLAD-YPMHNXCESA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)c(F)c1)[C@@H]1CCOC1 ZINC000361421537 519654159 /nfs/dbraw/zinc/65/41/59/519654159.db2.gz USWOJWQVPIXGLR-CQSZACIVSA-N 0 3 262.328 2.697 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000335169668 519686330 /nfs/dbraw/zinc/68/63/30/519686330.db2.gz LTXCNDDFBYYDAG-OAHLLOKOSA-N 0 3 286.379 2.505 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000335170562 519688260 /nfs/dbraw/zinc/68/82/60/519688260.db2.gz SQOXQGKRQSGECR-HNNXBMFYSA-N 0 3 286.379 2.505 20 30 CFEDHN CCOC[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192055088 520130719 /nfs/dbraw/zinc/13/07/19/520130719.db2.gz XLKGQFFXFYZCRZ-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)s2)[C@H]2CCCO[C@@H]21 ZINC000378012666 520668386 /nfs/dbraw/zinc/66/83/86/520668386.db2.gz VFTLYQGVSRVXIV-MCIONIFRSA-N 0 3 276.405 2.913 20 30 CFEDHN CCCCNC(=O)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000051060369 520676747 /nfs/dbraw/zinc/67/67/47/520676747.db2.gz NCUFCYLEKZPVSY-KRWDZBQOSA-N 0 3 299.418 2.687 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361864780 521729554 /nfs/dbraw/zinc/72/95/54/521729554.db2.gz FEMACLIQHOMDBD-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)C[C@@H](C)C1 ZINC000077247068 522043971 /nfs/dbraw/zinc/04/39/71/522043971.db2.gz YCWLLSUWWULNSE-ZIAGYGMSSA-N 0 3 288.391 2.924 20 30 CFEDHN Cn1c2ccccc2cc(CN[C@@H]2CCC[C@H](C#N)C2)c1=O ZINC000336106925 534712609 /nfs/dbraw/zinc/71/26/09/534712609.db2.gz QOFXJROAOGTZGY-XJKSGUPXSA-N 0 3 295.386 2.710 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC2(C1)CCOCC2 ZINC000314066028 523522586 /nfs/dbraw/zinc/52/25/86/523522586.db2.gz DQLMRZJUDGRACW-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@@H]1CC[C@@H](C)C1 ZINC000361644898 523739338 /nfs/dbraw/zinc/73/93/38/523739338.db2.gz BUQLQFVCFIRYGP-UKRRQHHQSA-N 0 3 275.396 2.534 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000361746742 523968708 /nfs/dbraw/zinc/96/87/08/523968708.db2.gz AOGNHXFUFGGWSU-CABCVRRESA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000334853015 524809849 /nfs/dbraw/zinc/80/98/49/524809849.db2.gz ILCAZNDIBJQZAK-JOYOIKCWSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(F)cc2C#N)CCN(C2CC2)C1 ZINC000336270070 524998127 /nfs/dbraw/zinc/99/81/27/524998127.db2.gz HDDBYSQZWTZTGU-CYBMUJFWSA-N 0 3 287.382 2.613 20 30 CFEDHN Cc1csc(N2CCC(N[C@@H]3CCC[C@@H]3C#N)CC2)n1 ZINC000350389979 534825929 /nfs/dbraw/zinc/82/59/29/534825929.db2.gz JKFCGGAHDOUUBZ-TZMCWYRMSA-N 0 3 290.436 2.702 20 30 CFEDHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cccc(C#N)c1 ZINC000378453100 525506566 /nfs/dbraw/zinc/50/65/66/525506566.db2.gz NLRIIPDAGYQEAN-CJNGLKHVSA-N 0 3 286.375 2.895 20 30 CFEDHN C[C@@H](N[C@H](CO)Cc1ccccc1)c1cccc(C#N)c1 ZINC000063218837 525668198 /nfs/dbraw/zinc/66/81/98/525668198.db2.gz QCKGUXAXDBDURA-KDOFPFPSSA-N 0 3 280.371 2.812 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000361840718 525839333 /nfs/dbraw/zinc/83/93/33/525839333.db2.gz XALUWLKRIWMWRT-WQGACYEGSA-N 0 3 276.355 2.679 20 30 CFEDHN Cc1cc(C#N)cc(N[C@H](C)CN2CCCCC2)n1 ZINC000161000938 526187464 /nfs/dbraw/zinc/18/74/64/526187464.db2.gz QLQZSPITMWFYTD-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1cccc(C(N)=O)c1 ZINC000352700365 526327132 /nfs/dbraw/zinc/32/71/32/526327132.db2.gz NNRNUQOGXNGBSZ-UHFFFAOYSA-N 0 3 284.359 2.609 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000335068758 526430262 /nfs/dbraw/zinc/43/02/62/526430262.db2.gz KPOBUPISONGSCG-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CCN1CCN(c2cccc(OCC)n2)CC1 ZINC000352003049 526445292 /nfs/dbraw/zinc/44/52/92/526445292.db2.gz JRKMATWKOFYKSS-UHFFFAOYSA-N 0 3 275.396 2.569 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)CCC1CC1 ZINC000355044547 526519350 /nfs/dbraw/zinc/51/93/50/526519350.db2.gz XTIHMLMIEGKFLS-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN N#Cc1cc(CN2CCCC[C@@H]2C2(O)CC2)ccc1F ZINC000335155244 526548296 /nfs/dbraw/zinc/54/82/96/526548296.db2.gz QKQBELQTLYMXTJ-OAHLLOKOSA-N 0 3 274.339 2.577 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2C2CC2)CC1 ZINC000344835176 526599925 /nfs/dbraw/zinc/59/99/25/526599925.db2.gz SJZMKWJWJOULKN-UHFFFAOYSA-N 0 3 299.418 2.729 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000350480239 526634406 /nfs/dbraw/zinc/63/44/06/526634406.db2.gz PZNITGWVBNCXFP-HLLBOEOZSA-N 0 3 286.419 2.630 20 30 CFEDHN C=C(C)COCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353262752 526657520 /nfs/dbraw/zinc/65/75/20/526657520.db2.gz IVFUICBNRYKLRO-INIZCTEOSA-N 0 3 256.349 2.728 20 30 CFEDHN N#Cc1cccc(NC(=O)CN(CC2CC2)CC2CC2)c1 ZINC000070505304 526716267 /nfs/dbraw/zinc/71/62/67/526716267.db2.gz YZUCKGFYIXMXMV-UHFFFAOYSA-N 0 3 283.375 2.619 20 30 CFEDHN C=CCOCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000347968346 526759068 /nfs/dbraw/zinc/75/90/68/526759068.db2.gz JMORJEHLHQSZLF-UHFFFAOYSA-N 0 3 297.402 2.823 20 30 CFEDHN C=CCOc1cccc(CN[C@@]2(C)CCO[C@@H]2C)c1 ZINC000344388109 526904365 /nfs/dbraw/zinc/90/43/65/526904365.db2.gz GLVLDZHQTAALET-CJNGLKHVSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccccc1CN1CCOC[C@@H](C)C1 ZINC000353719281 526933473 /nfs/dbraw/zinc/93/34/73/526933473.db2.gz ZBZQCVPCQSSBMY-AWEZNQCLSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000347313441 526934446 /nfs/dbraw/zinc/93/44/46/526934446.db2.gz PNNOKZSWBFZRHR-DZGCQCFKSA-N 0 3 289.375 2.635 20 30 CFEDHN C=CCCCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344740912 527103116 /nfs/dbraw/zinc/10/31/16/527103116.db2.gz MQEVFPQDGNPYGX-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000344324990 527185535 /nfs/dbraw/zinc/18/55/35/527185535.db2.gz LOYVBBZSUTYKIN-JTQLQIEISA-N 0 3 284.743 2.522 20 30 CFEDHN C=CCCCN1CCN(c2cccc(OCC)n2)CC1 ZINC000344575533 527199229 /nfs/dbraw/zinc/19/92/29/527199229.db2.gz DCNLVWBMBJSYKW-UHFFFAOYSA-N 0 3 275.396 2.569 20 30 CFEDHN Cn1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cc1C#N ZINC000365129796 527221725 /nfs/dbraw/zinc/22/17/25/527221725.db2.gz CXKNKDKVCRAGHI-FUHWJXTLSA-N 0 3 295.386 2.764 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344622392 527386028 /nfs/dbraw/zinc/38/60/28/527386028.db2.gz UHHNWMIKJKKLHF-HNNXBMFYSA-N 0 3 289.423 2.524 20 30 CFEDHN C=CCC[C@H](CC)NCc1ccc(OC)nc1OC ZINC000353567872 527465642 /nfs/dbraw/zinc/46/56/42/527465642.db2.gz ZXPLBTRPRRTIRC-ZDUSSCGKSA-N 0 3 264.369 2.933 20 30 CFEDHN C=CCC[C@H](NCc1ccc(OC)nc1OC)C1CC1 ZINC000353575975 527485206 /nfs/dbraw/zinc/48/52/06/527485206.db2.gz MBJRLHDFWJFXAI-AWEZNQCLSA-N 0 3 276.380 2.933 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352201489 527608668 /nfs/dbraw/zinc/60/86/68/527608668.db2.gz SIKLUTYHLGNLMA-UHFFFAOYSA-N 0 3 276.424 2.699 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000330104457 528218693 /nfs/dbraw/zinc/21/86/93/528218693.db2.gz GZBXMLSDUOMKHX-CHWSQXEVSA-N 0 3 276.384 2.618 20 30 CFEDHN CCOC(=O)CCCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425531175 528698374 /nfs/dbraw/zinc/69/83/74/528698374.db2.gz GVMCXTHDTYHFPF-CYBMUJFWSA-N 0 3 274.364 2.894 20 30 CFEDHN CC1(C#N)CCC(NCc2cn3ccsc3n2)CC1 ZINC000333616924 528833151 /nfs/dbraw/zinc/83/31/51/528833151.db2.gz XTHYZDXPAZELJF-UHFFFAOYSA-N 0 3 274.393 2.958 20 30 CFEDHN CC1(C#N)CCC(N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000336219790 528833159 /nfs/dbraw/zinc/83/31/59/528833159.db2.gz VIOVDTQKBRGPMJ-HQVVEAJESA-N 0 3 297.402 2.854 20 30 CFEDHN CCN1CCC(NC(=O)CSc2nc(C)co2)CC1 ZINC000330078343 528958609 /nfs/dbraw/zinc/95/86/09/528958609.db2.gz FNPCKCFDTGWMFV-UHFFFAOYSA-N 0 3 283.397 2.516 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000353828539 529077936 /nfs/dbraw/zinc/07/79/36/529077936.db2.gz QWCHOLDSJCLRCJ-IAGOWNOFSA-N 0 3 299.418 2.674 20 30 CFEDHN CC[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419288158 529198630 /nfs/dbraw/zinc/19/86/30/529198630.db2.gz HHFCAXDCGNTDFH-HZPDHXFCSA-N 0 3 285.391 2.643 20 30 CFEDHN CC[C@H](NC[C@H](O)COCC(C)C)c1ccc(C#N)cc1 ZINC000447540116 535910312 /nfs/dbraw/zinc/91/03/12/535910312.db2.gz ITZIPVHFNDMOJR-IRXDYDNUSA-N 0 3 290.407 2.632 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000452083647 536526310 /nfs/dbraw/zinc/52/63/10/536526310.db2.gz MAGASULUZZXGMS-ZDUSSCGKSA-N 0 3 276.355 2.946 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@H](OC)C12CCC2 ZINC000459753185 536645398 /nfs/dbraw/zinc/64/53/98/536645398.db2.gz IVUWSLRAVMPZQI-CVEARBPZSA-N 0 3 286.375 2.614 20 30 CFEDHN CC(=CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(C)C ZINC000744038924 574049992 /nfs/dbraw/zinc/04/99/92/574049992.db2.gz DHQGHKJEAYGFNY-LMMOQWNQSA-N 0 3 285.347 2.721 20 30 CFEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(C)c1 ZINC000753930096 574055389 /nfs/dbraw/zinc/05/53/89/574055389.db2.gz UXSIAFOCZYJKNH-GJZGRUSLSA-N 0 3 270.380 2.579 20 30 CFEDHN C[C@H]1CN(c2ccccc2C=NNC2CCCC2)CCO1 ZINC000727651663 574058927 /nfs/dbraw/zinc/05/89/27/574058927.db2.gz KPORNMZFLRRVJS-AWEZNQCLSA-N 0 3 287.407 2.778 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccnc3ccccc23)CN1C1CC1 ZINC000753960770 574059750 /nfs/dbraw/zinc/05/97/50/574059750.db2.gz VKPPNGGEHROVDR-GFCCVEGCSA-N 0 3 280.375 2.681 20 30 CFEDHN CCN(CC)C[C@@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000754015360 574063643 /nfs/dbraw/zinc/06/36/43/574063643.db2.gz WKVZHBIOMWIVPY-GFCCVEGCSA-N 0 3 273.380 2.903 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccccc1Cl ZINC000736671703 574064478 /nfs/dbraw/zinc/06/44/78/574064478.db2.gz CBNCMASFVUFUAT-VHSXEESVSA-N 0 3 250.729 2.547 20 30 CFEDHN Cc1c(N=NC2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000753961719 574083897 /nfs/dbraw/zinc/08/38/97/574083897.db2.gz ZFOFPWRDTCDCNZ-SNVBAGLBSA-N 0 3 288.351 2.928 20 30 CFEDHN CC(C)N1CC(N=Nc2nncc3ccccc32)[C@@H](C)C1 ZINC000754253229 574084592 /nfs/dbraw/zinc/08/45/92/574084592.db2.gz BZDVYMRJXCKLDT-LBPRGKRZSA-N 0 3 283.379 2.758 20 30 CFEDHN CC(C)N1CC(N=Nc2nc3ccccc3n2C)[C@H](C)C1 ZINC000754262220 574085105 /nfs/dbraw/zinc/08/51/05/574085105.db2.gz ZVGBFVJLHLZEDE-GFCCVEGCSA-N 0 3 285.395 2.701 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000754262053 574085157 /nfs/dbraw/zinc/08/51/57/574085157.db2.gz XUALLHNUVODTTL-LBPRGKRZSA-N 0 3 256.353 2.686 20 30 CFEDHN CC(C)N1CC(N=Nc2cnc3ccccc3n2)[C@H](C)C1 ZINC000754262172 574085306 /nfs/dbraw/zinc/08/53/06/574085306.db2.gz ZJTSLZJCVSNKLI-GFCCVEGCSA-N 0 3 283.379 2.758 20 30 CFEDHN COc1cccc2cc(CNC3CCN(CC#N)CC3)oc21 ZINC000730579142 574088642 /nfs/dbraw/zinc/08/86/42/574088642.db2.gz WLVDKHXMBYYPHG-UHFFFAOYSA-N 0 3 299.374 2.519 20 30 CFEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000754393195 574093799 /nfs/dbraw/zinc/09/37/99/574093799.db2.gz XIBFQUCJYZAAQZ-ZDUSSCGKSA-N 0 3 267.417 2.553 20 30 CFEDHN Cc1nc(Cl)cc(N=NC2CN(C(C)C)C[C@@H]2C)n1 ZINC000754259480 574097435 /nfs/dbraw/zinc/09/74/35/574097435.db2.gz NTDKMJHBKQAVRM-VIFPVBQESA-N 0 3 281.791 2.566 20 30 CFEDHN CCCCCCOCC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000730921374 574103825 /nfs/dbraw/zinc/10/38/25/574103825.db2.gz YIBSQPXNFFYKMC-AWEZNQCLSA-N 0 3 289.379 2.867 20 30 CFEDHN C#Cc1cccc(NC(=S)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000745173503 574104680 /nfs/dbraw/zinc/10/46/80/574104680.db2.gz UWKUQENMKOMQTA-CVEARBPZSA-N 0 3 299.443 2.533 20 30 CFEDHN Cc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000754658885 574111602 /nfs/dbraw/zinc/11/16/02/574111602.db2.gz APBBWTIIGRKUGB-IUODEOHRSA-N 0 3 293.436 2.762 20 30 CFEDHN CC(C)OC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000731213253 574113237 /nfs/dbraw/zinc/11/32/37/574113237.db2.gz ZBZBUYVJMPBFBQ-UHFFFAOYSA-N 0 3 288.391 2.978 20 30 CFEDHN C=CCc1cc(C[N@H+](CC)CCOC)c([O-])c(OC)c1 ZINC000754722499 574116358 /nfs/dbraw/zinc/11/63/58/574116358.db2.gz IROIKQSRSQJVMO-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN C=CCc1cc(C[N@@H+](CC)CCOC)c([O-])c(OC)c1 ZINC000754722499 574116360 /nfs/dbraw/zinc/11/63/60/574116360.db2.gz IROIKQSRSQJVMO-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN C=CCc1cc(CN(CC)CCOC)c(O)c(OC)c1 ZINC000754722499 574116361 /nfs/dbraw/zinc/11/63/61/574116361.db2.gz IROIKQSRSQJVMO-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC000754729943 574117426 /nfs/dbraw/zinc/11/74/26/574117426.db2.gz HEVFSYSAWIRZRM-LBPRGKRZSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC000754729943 574117427 /nfs/dbraw/zinc/11/74/27/574117427.db2.gz HEVFSYSAWIRZRM-LBPRGKRZSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](COC)C2)c1[O-] ZINC000754742232 574118108 /nfs/dbraw/zinc/11/81/08/574118108.db2.gz UIMSJLQAFOMGHK-ZDUSSCGKSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](COC)C2)c1[O-] ZINC000754742232 574118110 /nfs/dbraw/zinc/11/81/10/574118110.db2.gz UIMSJLQAFOMGHK-ZDUSSCGKSA-N 0 3 291.391 2.598 20 30 CFEDHN N=C(N)NN=Cc1cccc(OCCCc2ccccc2)c1 ZINC000731923004 574134359 /nfs/dbraw/zinc/13/43/59/574134359.db2.gz RKYMQSCJQAVYAH-UHFFFAOYSA-N 0 3 296.374 2.515 20 30 CFEDHN CCCCN(CC(=O)NCCC#N)[C@H](C)c1ccccc1 ZINC000746148232 574137119 /nfs/dbraw/zinc/13/71/19/574137119.db2.gz WRZYIJBYSKYFDK-OAHLLOKOSA-N 0 3 287.407 2.880 20 30 CFEDHN C=CC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000732205927 574146402 /nfs/dbraw/zinc/14/64/02/574146402.db2.gz IQZPKNAZNOTSNX-UHFFFAOYSA-N 0 3 256.349 2.987 20 30 CFEDHN CCCCCCCCNC(=O)C1(N(C)C)CCC1 ZINC000755216659 574147956 /nfs/dbraw/zinc/14/79/56/574147956.db2.gz WPRKCCLKWTYJAY-UHFFFAOYSA-N 0 3 254.418 2.947 20 30 CFEDHN N#CC(=C([O-])C=CC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000732708971 574166777 /nfs/dbraw/zinc/16/67/77/574166777.db2.gz WFIOVWAUJOTXAT-CFHLNLSMSA-N 0 3 295.342 2.722 20 30 CFEDHN N#CC(C(=O)C=CC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000732708971 574166779 /nfs/dbraw/zinc/16/67/79/574166779.db2.gz WFIOVWAUJOTXAT-CFHLNLSMSA-N 0 3 295.342 2.722 20 30 CFEDHN Cc1ncc(C=CC(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899658 574177084 /nfs/dbraw/zinc/17/70/84/574177084.db2.gz AAYIJDPHQXKCPJ-ZFDPJTLLSA-N 0 3 298.371 2.748 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cnnc2ccccc12 ZINC000755893003 574194972 /nfs/dbraw/zinc/19/49/72/574194972.db2.gz FYSRVBSTRCICSB-NSHDSACASA-N 0 3 281.363 2.512 20 30 CFEDHN COc1cccc2c1CC[C@@H](NCc1ccc(C#N)cn1)C2 ZINC000756052395 574206587 /nfs/dbraw/zinc/20/65/87/574206587.db2.gz AILVIARTEYNXKD-OAHLLOKOSA-N 0 3 293.370 2.609 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2ccc3ccccc3n2)CCCO1 ZINC000756223928 574217637 /nfs/dbraw/zinc/21/76/37/574217637.db2.gz HURQVOCCWOKVCV-SUMWQHHRSA-N 0 3 280.327 2.980 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc(C)nc2)cc1 ZINC000733324733 574221176 /nfs/dbraw/zinc/22/11/76/574221176.db2.gz WXWAKOMTCNFUMW-UHFFFAOYSA-N 0 3 266.344 2.692 20 30 CFEDHN CC(C)C(CCc1ccc(Cl)cc1)N=NC(=N)N ZINC000748246152 574242921 /nfs/dbraw/zinc/24/29/21/574242921.db2.gz KGJWYYOYCNLUOH-UHFFFAOYSA-N 0 3 266.776 2.768 20 30 CFEDHN C#CCN(CCn1cc(C)cn1)[C@@H]1CCc2ccccc21 ZINC000730084424 574251576 /nfs/dbraw/zinc/25/15/76/574251576.db2.gz FVTGVWMTOXVBTF-GOSISDBHSA-N 0 3 279.387 2.814 20 30 CFEDHN C#Cc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)nc1 ZINC000748759736 574265033 /nfs/dbraw/zinc/26/50/33/574265033.db2.gz NPJGDINSFNPDNN-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000740735942 574265060 /nfs/dbraw/zinc/26/50/60/574265060.db2.gz WEWHIEBMRNEAQK-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000740736190 574265076 /nfs/dbraw/zinc/26/50/76/574265076.db2.gz IONSPOPCBYXHQZ-UHFFFAOYSA-N 0 3 290.794 2.558 20 30 CFEDHN c1cnc(N=NC2CCCC[C@H]2N2CCCCC2)cn1 ZINC000748780023 574265953 /nfs/dbraw/zinc/26/59/53/574265953.db2.gz CXSPDTLSQXUMKD-CQSZACIVSA-N 0 3 273.384 2.673 20 30 CFEDHN COC(=O)/C(C)=C\CN(Cc1ccc(C#N)cc1)C(C)C ZINC000748815381 574268984 /nfs/dbraw/zinc/26/89/84/574268984.db2.gz MGWUFTHIUWUGCD-ZROIWOOFSA-N 0 3 286.375 2.888 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCN1CCCCC1 ZINC000740877371 574272046 /nfs/dbraw/zinc/27/20/46/574272046.db2.gz DNPBDAUBCWIMLI-UHFFFAOYSA-N 0 3 286.419 2.616 20 30 CFEDHN C=C(C)COc1cc(CN[C@H](CO)C2CC2)ccc1OC ZINC000734163701 574278096 /nfs/dbraw/zinc/27/80/96/574278096.db2.gz GOPSMEXECHFMKT-OAHLLOKOSA-N 0 3 291.391 2.511 20 30 CFEDHN C[C@H]1CC(N=Nc2ncccn2)CCN1Cc1ccccc1 ZINC000734299533 574280926 /nfs/dbraw/zinc/28/09/26/574280926.db2.gz ZFBROIRZLQRXRO-AWEZNQCLSA-N 0 3 295.390 2.929 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCC1N=Nc1ncccn1 ZINC000734365810 574283811 /nfs/dbraw/zinc/28/38/11/574283811.db2.gz UCWFNNHJABQBAT-CQSZACIVSA-N 0 3 295.390 2.787 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1 ZINC000741261140 574285302 /nfs/dbraw/zinc/28/53/02/574285302.db2.gz LSVPLXNHFGDOOK-INIZCTEOSA-N 0 3 287.359 2.976 20 30 CFEDHN C[C@@H]1CC(=NN=c2sc3ccccc3n2C)CCN1C ZINC000741452126 574290660 /nfs/dbraw/zinc/29/06/60/574290660.db2.gz YLVGWAONJCKSRV-LLVKDONJSA-N 0 3 288.420 2.611 20 30 CFEDHN C[C@@H]1CC(N=Nc2nncc3ccccc32)CCN1C ZINC000741452775 574290680 /nfs/dbraw/zinc/29/06/80/574290680.db2.gz FHMGCCJYFIVHBV-LLVKDONJSA-N 0 3 269.352 2.512 20 30 CFEDHN CC(C)c1nc(C#N)c(N=NC2CCN(C)[C@H](C)C2)o1 ZINC000741459380 574291137 /nfs/dbraw/zinc/29/11/37/574291137.db2.gz CJHMGOVUGOSDFC-SNVBAGLBSA-N 0 3 275.356 2.552 20 30 CFEDHN CC(C)c1nc(C#N)c(N=NC2CCN(C)[C@@H](C)C2)o1 ZINC000741459379 574291255 /nfs/dbraw/zinc/29/12/55/574291255.db2.gz CJHMGOVUGOSDFC-JTQLQIEISA-N 0 3 275.356 2.552 20 30 CFEDHN C[C@H]1CC(=NNCc2cccc3cccnc32)CCN1C ZINC000741460706 574291397 /nfs/dbraw/zinc/29/13/97/574291397.db2.gz UEUIDPZSUUVXOF-ZDUSSCGKSA-N 0 3 282.391 2.795 20 30 CFEDHN CCCCCCCCOCC(=O)N(C)C1CCN(C)CC1 ZINC000741539277 574295386 /nfs/dbraw/zinc/29/53/86/574295386.db2.gz RUALJCKDSQBHJR-UHFFFAOYSA-N 0 3 298.471 2.916 20 30 CFEDHN CC(=NNC(=N)N)c1ccc(SCC(F)(F)F)cc1 ZINC000741759517 574301042 /nfs/dbraw/zinc/30/10/42/574301042.db2.gz KLRAILOXZNJFDX-UHFFFAOYSA-N 0 3 290.314 2.548 20 30 CFEDHN CC#CCN(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749812880 574310129 /nfs/dbraw/zinc/31/01/29/574310129.db2.gz WWZFRBFKGAHMSA-AWEZNQCLSA-N 0 3 282.428 2.881 20 30 CFEDHN CN(C)C(=S)NN=C1CCCC[C@H]1N1CCCCCC1 ZINC000749815403 574310736 /nfs/dbraw/zinc/31/07/36/574310736.db2.gz NKGXQKHSEMEBEW-CQSZACIVSA-N 0 3 296.484 2.597 20 30 CFEDHN CC(N=NC(=N)N)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000749853420 574312625 /nfs/dbraw/zinc/31/26/25/574312625.db2.gz LXNSIUGLULQHKT-SSDOTTSWSA-N 0 3 289.166 2.620 20 30 CFEDHN COC(=O)c1cc2ccccc2cc1NC(=O)C(C)C#N ZINC000742252301 574321555 /nfs/dbraw/zinc/32/15/55/574321555.db2.gz VCZGHSPBBUWVOP-SNVBAGLBSA-N 0 3 282.299 2.725 20 30 CFEDHN COC(=O)c1cc2ccccc2cc1NC(=O)C(C)C#N ZINC000742252300 574321561 /nfs/dbraw/zinc/32/15/61/574321561.db2.gz VCZGHSPBBUWVOP-JTQLQIEISA-N 0 3 282.299 2.725 20 30 CFEDHN C=CCCC[N@@H+](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735412738 574322611 /nfs/dbraw/zinc/32/26/11/574322611.db2.gz JZBQEVKOWDOZJC-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCCC[N@H+](C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735412738 574322614 /nfs/dbraw/zinc/32/26/14/574322614.db2.gz JZBQEVKOWDOZJC-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCCC[N@@H+](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735412738 574322615 /nfs/dbraw/zinc/32/26/15/574322615.db2.gz JZBQEVKOWDOZJC-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCCC[N@H+](C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735412738 574322617 /nfs/dbraw/zinc/32/26/17/574322617.db2.gz JZBQEVKOWDOZJC-GFCCVEGCSA-N 0 3 271.368 2.826 20 30 CFEDHN C[C@@H]1C[C@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000742412399 574328577 /nfs/dbraw/zinc/32/85/77/574328577.db2.gz QLMDUWKLUQXGOS-HTQZYQBOSA-N 0 3 270.789 2.563 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCCO3)nc21 ZINC000735792940 574335896 /nfs/dbraw/zinc/33/58/96/574335896.db2.gz PBJUFUFXVSSCHM-NWDGAFQWSA-N 0 3 283.331 2.617 20 30 CFEDHN CO[C@H](C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000750391450 574337777 /nfs/dbraw/zinc/33/77/77/574337777.db2.gz RQHFKLVPUBQHTM-ZJUUUORDSA-N 0 3 274.345 2.898 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccnc3)nc21 ZINC000735916539 574342904 /nfs/dbraw/zinc/34/29/04/574342904.db2.gz WOBDRSULODWTRM-ZDUSSCGKSA-N 0 3 290.326 2.685 20 30 CFEDHN CCOCCCN1CCC(=NO[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000755817330 574346991 /nfs/dbraw/zinc/34/69/91/574346991.db2.gz KFKKRWOFNPKAKB-GOEBONIOSA-N 0 3 298.427 2.654 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000750684498 574350930 /nfs/dbraw/zinc/35/09/30/574350930.db2.gz RIXDJCGJEBKOKO-IUCAKERBSA-N 0 3 296.779 2.516 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1cccc(Br)c1 ZINC000752161289 574388794 /nfs/dbraw/zinc/38/87/94/574388794.db2.gz QUOWKTHQLIBRJN-VIFPVBQESA-N 0 3 282.185 2.799 20 30 CFEDHN C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000753243228 574400525 /nfs/dbraw/zinc/40/05/25/574400525.db2.gz MZFDLSYGXWDPOX-IRXDYDNUSA-N 0 3 299.418 2.535 20 30 CFEDHN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000753243229 574400594 /nfs/dbraw/zinc/40/05/94/574400594.db2.gz MZFDLSYGXWDPOX-SJORKVTESA-N 0 3 299.418 2.535 20 30 CFEDHN C#CCCN1CCC(NC(=O)C(CCC)CCC)CC1 ZINC000753607709 574406221 /nfs/dbraw/zinc/40/62/21/574406221.db2.gz RVFUFPZRQLIKAE-UHFFFAOYSA-N 0 3 278.440 2.807 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900240380 620652979 /nfs/dbraw/zinc/65/29/79/620652979.db2.gz PAAHBGZAAIZTIP-ZDUSSCGKSA-N 0 3 298.390 2.913 20 30 CFEDHN C=CCC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823894034 607682538 /nfs/dbraw/zinc/68/25/38/607682538.db2.gz FPPJRBTUSHXLQZ-HNNXBMFYSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823894034 607682540 /nfs/dbraw/zinc/68/25/40/607682540.db2.gz FPPJRBTUSHXLQZ-HNNXBMFYSA-N 0 3 283.379 2.701 20 30 CFEDHN N#CC1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900437805 620677052 /nfs/dbraw/zinc/67/70/52/620677052.db2.gz YWWJSVIRXATUTH-UHFFFAOYSA-N 0 3 296.374 2.667 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819734914 607058360 /nfs/dbraw/zinc/05/83/60/607058360.db2.gz XNXHDROWIPGCOJ-CYBMUJFWSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819734914 607058361 /nfs/dbraw/zinc/05/83/61/607058361.db2.gz XNXHDROWIPGCOJ-CYBMUJFWSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823888845 609341727 /nfs/dbraw/zinc/34/17/27/609341727.db2.gz YOGPHAVGEUTELC-NXEZZACHSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823888845 609341728 /nfs/dbraw/zinc/34/17/28/609341728.db2.gz YOGPHAVGEUTELC-NXEZZACHSA-N 0 3 275.331 2.621 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(CC)cc2)C1 ZINC000969933150 612961200 /nfs/dbraw/zinc/96/12/00/612961200.db2.gz FWFJBNGCQQKJME-MAUKXSAKSA-N 0 3 298.430 2.566 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C3CCCC3)cc2)C1 ZINC000969361059 612965563 /nfs/dbraw/zinc/96/55/63/612965563.db2.gz CHNZUOCKUYJDQT-GOSISDBHSA-N 0 3 296.414 2.782 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970913960 612997378 /nfs/dbraw/zinc/99/73/78/612997378.db2.gz UWJYZZADPMIHFO-AWEZNQCLSA-N 0 3 296.414 2.637 20 30 CFEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC000968735647 613001697 /nfs/dbraw/zinc/00/16/97/613001697.db2.gz MXQSRYGBOPIKHQ-HNNXBMFYSA-N 0 3 288.391 2.586 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589162 613013982 /nfs/dbraw/zinc/01/39/82/613013982.db2.gz RQDZYYWWZVTTAE-AEFFLSMTSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607000 613015674 /nfs/dbraw/zinc/01/56/74/613015674.db2.gz NDFFQOJREYNGIK-CRAIPNDOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC000968078762 613015710 /nfs/dbraw/zinc/01/57/10/613015710.db2.gz LOVJRXPIOYCVFU-CRAIPNDOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607211 613023015 /nfs/dbraw/zinc/02/30/15/613023015.db2.gz POQKIYAYSVIQOM-YJBOKZPZSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977450706 613031835 /nfs/dbraw/zinc/03/18/35/613031835.db2.gz OEODSFWZVZSYET-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974722383 613037343 /nfs/dbraw/zinc/03/73/43/613037343.db2.gz PEUTZDSXCRCAEK-CVEARBPZSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975057761 613038180 /nfs/dbraw/zinc/03/81/80/613038180.db2.gz QQSNNTZMQOWEJH-OAGGEKHMSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)CC1 ZINC000948652804 613161516 /nfs/dbraw/zinc/16/15/16/613161516.db2.gz ZKTCOGYGEMEWMO-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000948403944 613162989 /nfs/dbraw/zinc/16/29/89/613162989.db2.gz BZZUTAIOVWIEMM-SJLPKXTDSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cccc(C)c2)CC1 ZINC000948162182 613163499 /nfs/dbraw/zinc/16/34/99/613163499.db2.gz NCQDQXVBVBJFQE-QGZVFWFLSA-N 0 3 284.403 2.555 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccsc2C)CC1 ZINC000948352975 613163681 /nfs/dbraw/zinc/16/36/81/613163681.db2.gz DWXMGVCFMOSEIK-CQSZACIVSA-N 0 3 290.432 2.616 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000948748736 613178257 /nfs/dbraw/zinc/17/82/57/613178257.db2.gz NAJZYVQBAKZFKS-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000948758579 613178264 /nfs/dbraw/zinc/17/82/64/613178264.db2.gz IGFDTGSIDPQMFU-SOLBZPMBSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(C=C)cc2)CC1 ZINC000948799998 613179100 /nfs/dbraw/zinc/17/91/00/613179100.db2.gz CKRZWOBRZCIEOK-SFHVURJKSA-N 0 3 296.414 2.889 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000948748737 613179152 /nfs/dbraw/zinc/17/91/52/613179152.db2.gz NAJZYVQBAKZFKS-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@@H]2C)cc1 ZINC000967678365 613186598 /nfs/dbraw/zinc/18/65/98/613186598.db2.gz PCPCXDLFWBWOLT-MAUKXSAKSA-N 0 3 296.414 2.684 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C[C@H]1C ZINC000947580028 613223198 /nfs/dbraw/zinc/22/31/98/613223198.db2.gz INKLQOKVCVCJSM-GDBMZVCRSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)C[C@H]1C ZINC000947731573 613230414 /nfs/dbraw/zinc/23/04/14/613230414.db2.gz NYIDQTJBZGHHSD-HZPDHXFCSA-N 0 3 284.403 2.519 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2csc(C)n2)CC1 ZINC000981814523 613255741 /nfs/dbraw/zinc/25/57/41/613255741.db2.gz HWIFIBXFAMOQNP-UHFFFAOYSA-N 0 3 293.436 2.566 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2occc2CC)CC1 ZINC000981890416 613255899 /nfs/dbraw/zinc/25/58/99/613255899.db2.gz XNIPMQHYALYBCS-UHFFFAOYSA-N 0 3 290.407 2.956 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@@H](C)C1 ZINC000942133647 613257176 /nfs/dbraw/zinc/25/71/76/613257176.db2.gz FHTHIAZHQAIJEX-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)CC2CCCCC2)C[C@H]1C ZINC000947027871 613258860 /nfs/dbraw/zinc/25/88/60/613258860.db2.gz VHPGWAVRNGTOSE-ZBFHGGJFSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000944306235 613267661 /nfs/dbraw/zinc/26/76/61/613267661.db2.gz RKEHLMZJOMTSKC-QAPCUYQASA-N 0 3 298.430 2.883 20 30 CFEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2nccs2)C1 ZINC000968464828 613269006 /nfs/dbraw/zinc/26/90/06/613269006.db2.gz MKAXBTKQCUIKOA-STQMWFEESA-N 0 3 293.436 2.550 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000943989862 613269783 /nfs/dbraw/zinc/26/97/83/613269783.db2.gz XTTHQXSMKXJNTN-YJBOKZPZSA-N 0 3 298.430 2.883 20 30 CFEDHN C=C(C)CCN1C[C@@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC000977375503 613274810 /nfs/dbraw/zinc/27/48/10/613274810.db2.gz DAVBOINGIXAXTL-GFCCVEGCSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970903924 613298504 /nfs/dbraw/zinc/29/85/04/613298504.db2.gz KPIFXLCMGVVZGY-KSTDHSDQSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC000970789250 613299920 /nfs/dbraw/zinc/29/99/20/613299920.db2.gz LGFVRYCQXUYMTA-CQSZACIVSA-N 0 3 272.392 2.621 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC000970778217 613300295 /nfs/dbraw/zinc/30/02/95/613300295.db2.gz CIJZNCRXISFDTK-GFCCVEGCSA-N 0 3 292.810 2.966 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccnc2C2CC2)C1 ZINC000970047386 613300561 /nfs/dbraw/zinc/30/05/61/613300561.db2.gz ITDNMAYFUKYCPS-CYBMUJFWSA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000969954063 613301724 /nfs/dbraw/zinc/30/17/24/613301724.db2.gz QIROQUPJDGMPBI-ZFWWWQNUSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970385033 613301815 /nfs/dbraw/zinc/30/18/15/613301815.db2.gz SVMPJIMPGAEDPQ-UONOGXRCSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000970203382 613302233 /nfs/dbraw/zinc/30/22/33/613302233.db2.gz ZLVRUOTYAGWSKP-NXNVCVFFSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2sccc2C)C1 ZINC000969212675 613304264 /nfs/dbraw/zinc/30/42/64/613304264.db2.gz DOLPCBILZSKXRS-LBPRGKRZSA-N 0 3 278.421 2.683 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000981431961 613309186 /nfs/dbraw/zinc/30/91/86/613309186.db2.gz 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618224132 /nfs/dbraw/zinc/22/41/32/618224132.db2.gz LUMVHAGQJCFSDV-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001023768054 618224275 /nfs/dbraw/zinc/22/42/75/618224275.db2.gz LPWFKIGSGMWMJU-HOTGVXAUSA-N 0 3 290.451 2.664 20 30 CFEDHN C[C@@H](C#N)OCCN(C)Cc1ccc(Br)cc1 ZINC000310160140 618269235 /nfs/dbraw/zinc/26/92/35/618269235.db2.gz LQZHYCZKCPRCDD-NSHDSACASA-N 0 3 297.196 2.810 20 30 CFEDHN CN(Cc1csc(C#N)c1)C[C@@]1(O)CCc2ccccc21 ZINC000895090101 618282972 /nfs/dbraw/zinc/28/29/72/618282972.db2.gz HTJPHQCWLPFZJZ-KRWDZBQOSA-N 0 3 298.411 2.886 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001024321277 618291478 /nfs/dbraw/zinc/29/14/78/618291478.db2.gz DTLBAEUYZZKWCM-CYBMUJFWSA-N 0 3 295.814 2.829 20 30 CFEDHN N#Cc1cncc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000930847585 618293591 /nfs/dbraw/zinc/29/35/91/618293591.db2.gz DYUNRUDFUDVLDB-UHFFFAOYSA-N 0 3 299.271 2.820 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024318798 618293810 /nfs/dbraw/zinc/29/38/10/618293810.db2.gz FOQOIKGMYRSWGY-AWEZNQCLSA-N 0 3 278.421 2.909 20 30 CFEDHN CN1CCN(c2ccc(Cl)c(C#N)n2)C[C@H]1C(C)(C)C ZINC000895102310 618295238 /nfs/dbraw/zinc/29/52/38/618295238.db2.gz WNZORUMUSWDDDC-ZDUSSCGKSA-N 0 3 292.814 2.773 20 30 CFEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001024361021 618297572 /nfs/dbraw/zinc/29/75/72/618297572.db2.gz YTYOTAZXVSEFIX-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001024378247 618306197 /nfs/dbraw/zinc/30/61/97/618306197.db2.gz IQRMGUUGVUMNSN-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2ccccn2)OCCc2ccccc21 ZINC000892482027 618360080 /nfs/dbraw/zinc/36/00/80/618360080.db2.gz ATQZCAQCFRUSPC-RDTXWAMCSA-N 0 3 292.338 2.746 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(SC)cn2)CC1 ZINC000804437973 618376103 /nfs/dbraw/zinc/37/61/03/618376103.db2.gz KGKDFKXTZSGCNA-UHFFFAOYSA-N 0 3 278.425 2.651 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]2CCCSC2)c1 ZINC000167466858 618383582 /nfs/dbraw/zinc/38/35/82/618383582.db2.gz BREQTSKDJHBPOI-LBPRGKRZSA-N 0 3 250.342 2.683 20 30 CFEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000892495739 618386413 /nfs/dbraw/zinc/38/64/13/618386413.db2.gz SOUJOINWLYAZCY-ZDUSSCGKSA-N 0 3 270.332 2.936 20 30 CFEDHN CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160718 618408078 /nfs/dbraw/zinc/40/80/78/618408078.db2.gz OYNQFNNTINSZJH-HOTGVXAUSA-N 0 3 290.407 2.758 20 30 CFEDHN CCC[C@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895163430 618412545 /nfs/dbraw/zinc/41/25/45/618412545.db2.gz UMPLIVZGLMLGRA-CABCVRRESA-N 0 3 276.380 2.540 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024612127 618417159 /nfs/dbraw/zinc/41/71/59/618417159.db2.gz LFRBPOXDPUTELC-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024640700 618429511 /nfs/dbraw/zinc/42/95/11/618429511.db2.gz BPEWRSCPAAFHQS-OWCLPIDISA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCCC[C@@H](C)N[C@H](C)C1N=NC(=O)N1C ZINC000895178330 618439045 /nfs/dbraw/zinc/43/90/45/618439045.db2.gz ZFKXGLSZQQXQLJ-VXGBXAGGSA-N 0 3 266.389 2.696 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccn1CC ZINC001024800980 618473447 /nfs/dbraw/zinc/47/34/47/618473447.db2.gz KGUCWFPWGAXMGQ-OAHLLOKOSA-N 0 3 289.423 2.668 20 30 CFEDHN C#CCCCCCCOC(=O)C1CCCN(C2CC2)C1=O ZINC000909509970 618492596 /nfs/dbraw/zinc/49/25/96/618492596.db2.gz XOJHZSGXAICKOY-OAHLLOKOSA-N 0 3 291.391 2.514 20 30 CFEDHN CC1=NO[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000895299873 618519578 /nfs/dbraw/zinc/51/95/78/618519578.db2.gz HORJNBJJKGGGCI-HNNXBMFYSA-N 0 3 271.364 2.742 20 30 CFEDHN COc1ccc(CN2CCC[C@H](CC#N)C2)c(O)c1OC ZINC000895314355 618528575 /nfs/dbraw/zinc/52/85/75/618528575.db2.gz TYVSYNRFEIFEHY-GFCCVEGCSA-N 0 3 290.363 2.535 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(CCC)s2)CC1 ZINC000895386096 618562603 /nfs/dbraw/zinc/56/26/03/618562603.db2.gz SMIRFSIEMPRLCQ-UHFFFAOYSA-N 0 3 263.406 2.661 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C)C1 ZINC001018022300 618683861 /nfs/dbraw/zinc/68/38/61/618683861.db2.gz GJXNQIUSTULGNJ-XUWVNRHRSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007504362 618690265 /nfs/dbraw/zinc/69/02/65/618690265.db2.gz WNEMDAIAPUTXHH-ZDUSSCGKSA-N 0 3 294.345 2.735 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(Br)nc1 ZINC000309449452 618692276 /nfs/dbraw/zinc/69/22/76/618692276.db2.gz MDMVSDVBQNJECF-JTQLQIEISA-N 0 3 285.185 2.697 20 30 CFEDHN C=C[C@H](CC(=O)N[C@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000892778959 618745810 /nfs/dbraw/zinc/74/58/10/618745810.db2.gz OCWLPNHSYZBDFG-DNVCBOLYSA-N 0 3 298.430 2.947 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCC#Cc1ccccc1 ZINC000893089035 618827767 /nfs/dbraw/zinc/82/77/67/618827767.db2.gz XEXRWNQLQANJDB-UHFFFAOYSA-N 0 3 273.376 2.750 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001007848305 618877951 /nfs/dbraw/zinc/87/79/51/618877951.db2.gz ASLPHLQJYPTNFM-HNNXBMFYSA-N 0 3 290.407 2.975 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000925539675 618897616 /nfs/dbraw/zinc/89/76/16/618897616.db2.gz CSMJNDMCFOARLD-DZGCQCFKSA-N 0 3 291.439 2.838 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009602355 619002961 /nfs/dbraw/zinc/00/29/61/619002961.db2.gz LQBYBOSCVKZYIY-SJLPKXTDSA-N 0 3 288.435 2.727 20 30 CFEDHN CN(CC/N=C/c1ccccc1O)Cc1ccccc1 ZINC000066887660 619006388 /nfs/dbraw/zinc/00/63/88/619006388.db2.gz BDCKKGQANPFXSS-QGOAFFKASA-N 0 3 268.360 2.943 20 30 CFEDHN CCOC(CN[C@H](C)c1ccc(C#N)cc1)OCC ZINC000093447027 619023705 /nfs/dbraw/zinc/02/37/05/619023705.db2.gz LWEUCUTXNSZLDG-GFCCVEGCSA-N 0 3 262.353 2.608 20 30 CFEDHN C[C@@H](C#N)CNC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893545117 619061713 /nfs/dbraw/zinc/06/17/13/619061713.db2.gz QKJKEIBOAPQSKQ-XJKSGUPXSA-N 0 3 295.427 2.773 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)CC)cc1 ZINC000105263012 619084166 /nfs/dbraw/zinc/08/41/66/619084166.db2.gz VKNJDGNAEYYSSN-RISCZKNCSA-N 0 3 272.348 2.942 20 30 CFEDHN C[C@@H](NCc1ccc(CO)cc1)c1ccc(OCC#N)cc1 ZINC000318767603 619147948 /nfs/dbraw/zinc/14/79/48/619147948.db2.gz ATBVKHRBAVRVCD-CQSZACIVSA-N 0 3 296.370 2.932 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1c2ccccc2C[C@H]1O ZINC000924912097 619278716 /nfs/dbraw/zinc/27/87/16/619278716.db2.gz WVHVGLNGJIJRCP-DFBGVHRSSA-N 0 3 258.365 2.563 20 30 CFEDHN C#C[C@H](C)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000894384739 619361465 /nfs/dbraw/zinc/36/14/65/619361465.db2.gz UCELOIAUQAWXTA-ZDUSSCGKSA-N 0 3 288.391 2.823 20 30 CFEDHN C=CCN(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894495665 619402676 /nfs/dbraw/zinc/40/26/76/619402676.db2.gz PRKXYWBJNWRIMQ-SNVBAGLBSA-N 0 3 278.343 2.653 20 30 CFEDHN COC(=O)c1sccc1CNCC(C)(C)CCC#N ZINC000894515631 619406781 /nfs/dbraw/zinc/40/67/81/619406781.db2.gz WXPRHGVVGBSIQF-UHFFFAOYSA-N 0 3 280.393 2.954 20 30 CFEDHN CCN(C)c1ccc(C=NN[C@@H](C)C(C)(C)C)cn1 ZINC000793115491 619510600 /nfs/dbraw/zinc/51/06/00/619510600.db2.gz RHMLXABSZPNGGO-LBPRGKRZSA-N 0 3 262.401 2.896 20 30 CFEDHN C[C@H](CCC#N)CN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894958485 619516704 /nfs/dbraw/zinc/51/67/04/619516704.db2.gz FKKUAJRDDFVUNA-UKRRQHHQSA-N 0 3 283.379 2.766 20 30 CFEDHN C#CC1(NCc2cnc3onc(C)c3c2)CCCC1 ZINC000895677955 619580694 /nfs/dbraw/zinc/58/06/94/619580694.db2.gz VWRBGTRNPQBCAO-UHFFFAOYSA-N 0 3 255.321 2.567 20 30 CFEDHN CCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000895939256 619640185 /nfs/dbraw/zinc/64/01/85/619640185.db2.gz LGNNTVRTYDFPGO-GJZGRUSLSA-N 0 3 281.444 2.835 20 30 CFEDHN C=CCC1(O)CCN(Cc2nccc3c2CCCC3)CC1 ZINC000896058750 619663365 /nfs/dbraw/zinc/66/33/65/619663365.db2.gz RDLLURZPCIEOKH-UHFFFAOYSA-N 0 3 286.419 2.863 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000896096251 619672903 /nfs/dbraw/zinc/67/29/03/619672903.db2.gz ZGCKXKRHWKSTNC-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C#CCCOc1ccc(CN2CCO[C@@H](C)CC2)cc1 ZINC000896583607 619766727 /nfs/dbraw/zinc/76/67/27/619766727.db2.gz DGJIQJMTPJAFHT-HNNXBMFYSA-N 0 3 273.376 2.700 20 30 CFEDHN N#Cc1ccc(N[C@H]2CCCN(C[C@@H]3CCC=CO3)C2)nc1 ZINC000896655556 619784163 /nfs/dbraw/zinc/78/41/63/619784163.db2.gz ZFUJNQXZHDZJHG-HOTGVXAUSA-N 0 3 298.390 2.522 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCC[C@H](C(F)(F)F)O2)n1 ZINC000896823993 619830917 /nfs/dbraw/zinc/83/09/17/619830917.db2.gz QMVVIXVJTBNFKJ-QWHCGFSZSA-N 0 3 299.296 2.543 20 30 CFEDHN CC#CCN(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000897167462 619942286 /nfs/dbraw/zinc/94/22/86/619942286.db2.gz LVIUZWGWVPLKFA-INIZCTEOSA-N 0 3 280.412 2.589 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2coc3c2cccc3C)C1 ZINC000988957585 620227864 /nfs/dbraw/zinc/22/78/64/620227864.db2.gz ZNUBWDWEANOOEB-KBPBESRZSA-N 0 3 296.370 2.567 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1c2ccccc2OC[C@H]1CO ZINC000897949508 620309699 /nfs/dbraw/zinc/30/96/99/620309699.db2.gz YHQAYCQDFINLKX-WOSRLPQWSA-N 0 3 288.391 2.647 20 30 CFEDHN C=CCCCN(CC)Cc1c2c(nn1C)CCSC2 ZINC000898245196 620356693 /nfs/dbraw/zinc/35/66/93/620356693.db2.gz YCUGKXGGRNRJNM-UHFFFAOYSA-N 0 3 279.453 2.998 20 30 CFEDHN C#CCCN1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC000989603012 620383258 /nfs/dbraw/zinc/38/32/58/620383258.db2.gz CXURVTWUYHGCNO-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN C#CCCN1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000787270740 620385154 /nfs/dbraw/zinc/38/51/54/620385154.db2.gz HGTYTLUGIVEBLN-PLNGDYQASA-N 0 3 288.822 2.994 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC000989719269 620388058 /nfs/dbraw/zinc/38/80/58/620388058.db2.gz HFCJBIUELXATSR-GOSISDBHSA-N 0 3 296.414 2.514 20 30 CFEDHN CC[C@@](C)(CNCc1cc(C#N)ccc1F)OC ZINC000322773393 620392305 /nfs/dbraw/zinc/39/23/05/620392305.db2.gz IXBJMWKSQALKRI-AWEZNQCLSA-N 0 3 250.317 2.602 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2c(C)cccc2F)CC1 ZINC000989798121 620392700 /nfs/dbraw/zinc/39/27/00/620392700.db2.gz NURQGPYSEZFYQA-UHFFFAOYSA-N 0 3 290.382 2.858 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC000989866901 620395853 /nfs/dbraw/zinc/39/58/53/620395853.db2.gz LDPIZQMPUMMNOI-KDOFPFPSSA-N 0 3 298.430 2.637 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989923249 620402542 /nfs/dbraw/zinc/40/25/42/620402542.db2.gz VLFQHUSQIXVUOD-HKUYNNGSSA-N 0 3 296.414 2.745 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)CC3CCCCC3)CCC[C@H]12 ZINC000989936202 620404272 /nfs/dbraw/zinc/40/42/72/620404272.db2.gz RYUXELPYYQPNGC-FUHWJXTLSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@H]12 ZINC000989944844 620404323 /nfs/dbraw/zinc/40/43/23/620404323.db2.gz GSWDMHDNXZKVRB-YQQAZPJKSA-N 0 3 274.408 2.642 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C3CCCCCC3)CCC[C@H]12 ZINC000990030132 620407904 /nfs/dbraw/zinc/40/79/04/620407904.db2.gz ISKSGHBHLTYLMO-FUHWJXTLSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3c(C)coc3C)CCC[C@@H]12 ZINC000990514366 620428090 /nfs/dbraw/zinc/42/80/90/620428090.db2.gz LJHNKLUKHPIXJY-PBHICJAKSA-N 0 3 288.391 2.809 20 30 CFEDHN C=CC(C)(C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000898457725 620466987 /nfs/dbraw/zinc/46/69/87/620466987.db2.gz SLKABJLZAWUFKG-UHFFFAOYSA-N 0 3 250.298 2.658 20 30 CFEDHN C=CC(C)(C)NCc1ccc(C(=O)OC)c(F)c1 ZINC000898460988 620467326 /nfs/dbraw/zinc/46/73/26/620467326.db2.gz XOUABVYLUIBCQQ-UHFFFAOYSA-N 0 3 251.301 2.667 20 30 CFEDHN Cc1ccc([C@H](C)[NH2+]CCNc2ccc(C#N)cn2)c([O-])c1 ZINC000927164292 620519624 /nfs/dbraw/zinc/51/96/24/620519624.db2.gz OQVYNXQWCYVQJC-ZDUSSCGKSA-N 0 3 296.374 2.730 20 30 CFEDHN CC1(C)CC[C@@H](CCNC[C@H](C#N)CCC#N)OC1 ZINC000901655167 620883747 /nfs/dbraw/zinc/88/37/47/620883747.db2.gz TVBIDWRTZJJHQI-KBPBESRZSA-N 0 3 263.385 2.615 20 30 CFEDHN C[C@H](NCCN1Cc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902775010 621170735 /nfs/dbraw/zinc/17/07/35/621170735.db2.gz PUNDSKACXYUQPW-AWEZNQCLSA-N 0 3 292.386 2.620 20 30 CFEDHN C[C@@H](N[C@@H]1COc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902779181 621171608 /nfs/dbraw/zinc/17/16/08/621171608.db2.gz QPSUQMFYCIKYFK-DOMZBBRYSA-N 0 3 279.343 2.608 20 30 CFEDHN C=CCC[C@@H](NCc1cc[nH]n1)[C@]1(C)CCCCO1 ZINC000902796916 621179648 /nfs/dbraw/zinc/17/96/48/621179648.db2.gz WIBLWGCBKRLMJJ-CABCVRRESA-N 0 3 263.385 2.793 20 30 CFEDHN CO[C@H](CN[C@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902825648 621182684 /nfs/dbraw/zinc/18/26/84/621182684.db2.gz APMQZEWIBYYWJD-BXUZGUMPSA-N 0 3 261.369 2.665 20 30 CFEDHN C=C(Cl)CN[C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902871391 621193443 /nfs/dbraw/zinc/19/34/43/621193443.db2.gz NGQVNNZUBGQKNK-YPMHNXCESA-N 0 3 251.757 2.968 20 30 CFEDHN CC[C@H](NCc1c[nH]nc1C)c1cccc(C#N)c1 ZINC000902873332 621194615 /nfs/dbraw/zinc/19/46/15/621194615.db2.gz YPXHPDBOZVHVPO-HNNXBMFYSA-N 0 3 254.337 2.831 20 30 CFEDHN C=CCC[C@@H](NCc1ccn(C)n1)[C@]1(C)CCCCO1 ZINC000902891429 621201029 /nfs/dbraw/zinc/20/10/29/621201029.db2.gz SBFJIGWJBHTURT-CVEARBPZSA-N 0 3 277.412 2.804 20 30 CFEDHN Cc1cccc(C[C@H](CO)N[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902966247 621210922 /nfs/dbraw/zinc/21/09/22/621210922.db2.gz BZSMXLQOCKJBRF-WMLDXEAASA-N 0 3 295.386 2.516 20 30 CFEDHN C[C@@H](NC[C@H](O)CCc1ccccc1)c1cc(C#N)ccn1 ZINC000902950272 621212618 /nfs/dbraw/zinc/21/26/18/621212618.db2.gz GIDROAGHKCPNAU-RHSMWYFYSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@@H](NCC1(CO)CC2(CCC2)C1)c1cc(C#N)ccn1 ZINC000902975744 621215662 /nfs/dbraw/zinc/21/56/62/621215662.db2.gz JDEGLZBRNVIQNP-CYBMUJFWSA-N 0 3 285.391 2.547 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000902981117 621216991 /nfs/dbraw/zinc/21/69/91/621216991.db2.gz ICAUMWSPAUPIPF-ZLDLUXBVSA-N 0 3 259.353 2.561 20 30 CFEDHN CCCn1cc([C@@H](C)NCC(C)(C)CCC#N)nn1 ZINC000902989290 621218582 /nfs/dbraw/zinc/21/85/82/621218582.db2.gz ADFVYXWIVMKUOA-GFCCVEGCSA-N 0 3 263.389 2.669 20 30 CFEDHN C[C@H](NC[C@@H]1COc2ccccc21)c1cc(C#N)ccn1 ZINC000902994737 621220520 /nfs/dbraw/zinc/22/05/20/621220520.db2.gz RNYMTIZYADPPGC-GXTWGEPZSA-N 0 3 279.343 2.780 20 30 CFEDHN CO[C@@H]1C[C@H](N[C@@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000903017202 621222564 /nfs/dbraw/zinc/22/25/64/621222564.db2.gz LUCQRVCXHBYBCK-TUKIKUTGSA-N 0 3 271.364 2.561 20 30 CFEDHN C[C@H](NC[C@@H](CO)C1CCCCC1)c1cc(C#N)ccn1 ZINC000903001002 621225475 /nfs/dbraw/zinc/22/54/75/621225475.db2.gz OKCOZCYZPIFYMA-BBRMVZONSA-N 0 3 287.407 2.793 20 30 CFEDHN C[C@@H](NC[C@H](CO)C1CCCCC1)c1cc(C#N)ccn1 ZINC000903001004 621225631 /nfs/dbraw/zinc/22/56/31/621225631.db2.gz OKCOZCYZPIFYMA-CZUORRHYSA-N 0 3 287.407 2.793 20 30 CFEDHN CO[C@@H](CN[C@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000903004587 621227207 /nfs/dbraw/zinc/22/72/07/621227207.db2.gz FPXFNLGVNQSTIG-RHSMWYFYSA-N 0 3 295.386 2.862 20 30 CFEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@H]1CCCCO1 ZINC000903043499 621232609 /nfs/dbraw/zinc/23/26/09/621232609.db2.gz AZPOYBKEGGZMSM-IVMMDQJWSA-N 0 3 273.380 2.952 20 30 CFEDHN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H]1CCCCO1 ZINC000903043497 621232897 /nfs/dbraw/zinc/23/28/97/621232897.db2.gz AZPOYBKEGGZMSM-DUVNUKRYSA-N 0 3 273.380 2.952 20 30 CFEDHN C=CCCSCCN[C@H](C)c1cc(C#N)ccn1 ZINC000903048062 621241064 /nfs/dbraw/zinc/24/10/64/621241064.db2.gz IJDFZCVYPFNFHF-GFCCVEGCSA-N 0 3 261.394 2.913 20 30 CFEDHN C[C@H](NC[C@@]1(C)CC1(F)F)c1cc(C#N)ccn1 ZINC000903051359 621242328 /nfs/dbraw/zinc/24/23/28/621242328.db2.gz JRQLAXGBLVBWOW-JOYOIKCWSA-N 0 3 251.280 2.649 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2cn(CCC)nn2)CC1 ZINC000903087196 621247752 /nfs/dbraw/zinc/24/77/52/621247752.db2.gz LJZHWTHOMYZSKY-IHRRRGAJSA-N 0 3 260.385 2.531 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903179609 621276432 /nfs/dbraw/zinc/27/64/32/621276432.db2.gz RNUSJJVSMHNGKF-MAZHCROVSA-N 0 3 275.396 2.677 20 30 CFEDHN C[C@H](NCc1cc(N(C)C)ccn1)c1ccc(C#N)cc1 ZINC000903201267 621284096 /nfs/dbraw/zinc/28/40/96/621284096.db2.gz HHSHXRGPHRIBBQ-ZDUSSCGKSA-N 0 3 280.375 2.870 20 30 CFEDHN CN(C)Cc1csc(CNC2CCC(C)(C#N)CC2)n1 ZINC000903220536 621292415 /nfs/dbraw/zinc/29/24/15/621292415.db2.gz OYTCOJHFDMWWET-UHFFFAOYSA-N 0 3 292.452 2.767 20 30 CFEDHN C=CCC[C@H](COc1ccccc1)NCc1cn(C)cn1 ZINC000903350372 621343294 /nfs/dbraw/zinc/34/32/94/621343294.db2.gz BEWDCSKVDNYJLN-OAHLLOKOSA-N 0 3 285.391 2.924 20 30 CFEDHN C[C@@H](NC[C@H]1CCCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000903356713 621346706 /nfs/dbraw/zinc/34/67/06/621346706.db2.gz UCZDKNAOBXIQNM-TZMCWYRMSA-N 0 3 273.380 2.952 20 30 CFEDHN CC1/C(=C\c2ccccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905080267 621690766 /nfs/dbraw/zinc/69/07/66/621690766.db2.gz JQTYLLRYCAIULN-KYJZABPNSA-N 0 3 295.342 2.908 20 30 CFEDHN CC(C)Oc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905082448 621691368 /nfs/dbraw/zinc/69/13/68/621691368.db2.gz WIVWSINYDHCVTP-LFTLCWSBSA-N 0 3 283.331 2.906 20 30 CFEDHN CC1/C(=C\c2cccc3c2CCC3)C(=O)c2ncnn21 ZINC000905083037 621691417 /nfs/dbraw/zinc/69/14/17/621691417.db2.gz AUYDVZTZSLKRBL-CEITULEQSA-N 0 3 265.316 2.608 20 30 CFEDHN CC1/C(=C/c2cccc3c2CCC3)C(=O)c2ncnn21 ZINC000905083039 621691531 /nfs/dbraw/zinc/69/15/31/621691531.db2.gz AUYDVZTZSLKRBL-DOQDJBIESA-N 0 3 265.316 2.608 20 30 CFEDHN CC1/C(=C\c2ccccc2C2CC2)C(=O)c2ncnn21 ZINC000905082399 621691633 /nfs/dbraw/zinc/69/16/33/621691633.db2.gz VYYVYGXWVZLBLP-WWNSAXIVSA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C/c2cccc3c2OC(C)(C)C3)C(=O)c2ncnn21 ZINC000905082269 621691683 /nfs/dbraw/zinc/69/16/83/621691683.db2.gz VEDJFYKDWVYMFA-BNDQCTAISA-N 0 3 295.342 2.833 20 30 CFEDHN CSc1ccc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905086946 621692641 /nfs/dbraw/zinc/69/26/41/621692641.db2.gz UWKOENGCJVCGNX-AJQDLKILSA-N 0 3 277.374 2.902 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@H](O)CC2CCCC2)c1 ZINC000905518642 621788472 /nfs/dbraw/zinc/78/84/72/621788472.db2.gz NBKXRWYHPUHGCK-OAHLLOKOSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1N(CC=C)CC2 ZINC000991065449 621803753 /nfs/dbraw/zinc/80/37/53/621803753.db2.gz FNRXDMGGUHVOBV-AEFFLSMTSA-N 0 3 299.418 2.587 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H]1CCc2cccc3cccc1c32 ZINC000905844025 621885883 /nfs/dbraw/zinc/88/58/83/621885883.db2.gz NKYJZRZXEKQMKZ-GUYCJALGSA-N 0 3 292.382 2.555 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@H](O)CCC1(O)CCC1 ZINC000905900012 621893503 /nfs/dbraw/zinc/89/35/03/621893503.db2.gz NXSCGTNORPPZIB-AWEZNQCLSA-N 0 3 295.448 2.792 20 30 CFEDHN N#CC1(C[C@H](O)CN2CC(Cc3ccsc3)C2)CCC1 ZINC000905965375 621906362 /nfs/dbraw/zinc/90/63/62/621906362.db2.gz GVGMYTUSECIBNA-HNNXBMFYSA-N 0 3 290.432 2.667 20 30 CFEDHN C#CCN(C(=O)c1occc1C(C)C)C1CCN(C)CC1 ZINC000906451533 621991323 /nfs/dbraw/zinc/99/13/23/621991323.db2.gz HHDQALVMMMAQFV-UHFFFAOYSA-N 0 3 288.391 2.573 20 30 CFEDHN CC#CCCCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908570738 622246580 /nfs/dbraw/zinc/24/65/80/622246580.db2.gz LUFCNTXZFKHRJY-UHFFFAOYSA-N 0 3 276.424 2.657 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908570708 622246738 /nfs/dbraw/zinc/24/67/38/622246738.db2.gz KTODFCMVNHOECT-UHFFFAOYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000911646732 622533035 /nfs/dbraw/zinc/53/30/35/622533035.db2.gz XHUISMJZDNYUCP-CQSZACIVSA-N 0 3 285.347 2.964 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)c(F)c1 ZINC000911931345 622590686 /nfs/dbraw/zinc/59/06/86/622590686.db2.gz VISZFNQCLJRRCQ-LBPRGKRZSA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000911939866 622593570 /nfs/dbraw/zinc/59/35/70/622593570.db2.gz VESABBQTDMDFMF-AWEZNQCLSA-N 0 3 280.799 2.682 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000912053175 622620097 /nfs/dbraw/zinc/62/00/97/622620097.db2.gz BSDVLVCAIMYCOY-HZMBPMFUSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000912077246 622625722 /nfs/dbraw/zinc/62/57/22/622625722.db2.gz GTCJHVLMDMNYRW-JKSUJKDBSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000912077243 622626216 /nfs/dbraw/zinc/62/62/16/622626216.db2.gz GTCJHVLMDMNYRW-CVEARBPZSA-N 0 3 290.407 2.946 20 30 CFEDHN CN(C)[C@@H]1CCOc2c(Nc3ccnc(C#N)c3)cccc21 ZINC000912103574 622627777 /nfs/dbraw/zinc/62/77/77/622627777.db2.gz ZVEDPTPSRVCDOV-MRXNPFEDSA-N 0 3 294.358 2.504 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1OC(F)F ZINC000912188159 622657411 /nfs/dbraw/zinc/65/74/11/622657411.db2.gz HXVQYRNWWQPLBN-GFCCVEGCSA-N 0 3 298.333 2.588 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000912239623 622664465 /nfs/dbraw/zinc/66/44/65/622664465.db2.gz XIMOIMSSPKRSIK-ZFWWWQNUSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)c(C)c1 ZINC000912258399 622666989 /nfs/dbraw/zinc/66/69/89/622666989.db2.gz UOLBWVPGVIVBGH-ZDUSSCGKSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000912266132 622669782 /nfs/dbraw/zinc/66/97/82/622669782.db2.gz XXWSNWJNAIVPEF-AWEZNQCLSA-N 0 3 284.363 2.699 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000912360249 622693220 /nfs/dbraw/zinc/69/32/20/622693220.db2.gz PBEMMJRJBLNJEZ-CQSZACIVSA-N 0 3 276.355 2.789 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000912466060 622715426 /nfs/dbraw/zinc/71/54/26/622715426.db2.gz OBUYAAKQXDWTDU-DOTOQJQBSA-N 0 3 286.419 2.906 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913097991 622835949 /nfs/dbraw/zinc/83/59/49/622835949.db2.gz WDEOJEKQLQNEJP-ZMSDIMECSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@H]12 ZINC000991503859 622950432 /nfs/dbraw/zinc/95/04/32/622950432.db2.gz OBKAWXACSMAIHX-FUHWJXTLSA-N 0 3 299.418 2.611 20 30 CFEDHN CCCCCCCN[C@](C)(C(N)=O)c1ccccc1 ZINC000157695467 623055673 /nfs/dbraw/zinc/05/56/73/623055673.db2.gz VFUFDIVDWRFPIN-INIZCTEOSA-N 0 3 262.397 2.947 20 30 CFEDHN C#CCNC(=O)CN([C@H](C)c1ccccc1)C1CCCC1 ZINC000823105857 623237025 /nfs/dbraw/zinc/23/70/25/623237025.db2.gz MTPMTHGCLGVNPZ-OAHLLOKOSA-N 0 3 284.403 2.742 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823888897 623414719 /nfs/dbraw/zinc/41/47/19/623414719.db2.gz ZTWUWSMBWDMZOW-UWVGGRQHSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823888897 623414722 /nfs/dbraw/zinc/41/47/22/623414722.db2.gz ZTWUWSMBWDMZOW-UWVGGRQHSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc(C)cc3C)CCC[C@H]12 ZINC000991975847 623434755 /nfs/dbraw/zinc/43/47/55/623434755.db2.gz QBUIDCFIOINNNX-YJBOKZPZSA-N 0 3 299.418 2.611 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992190495 623482697 /nfs/dbraw/zinc/48/26/97/623482697.db2.gz OPRGVQSFUNFQEP-YFHUEUNASA-N 0 3 288.435 2.559 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000824657371 623541214 /nfs/dbraw/zinc/54/12/14/623541214.db2.gz DYPQDTQDXATULN-QWHCGFSZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000824657368 623541231 /nfs/dbraw/zinc/54/12/31/623541231.db2.gz DYPQDTQDXATULN-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C#CCN(C(=O)N[C@H](C)CCCCC)C1CCN(C)CC1 ZINC000913846525 623616611 /nfs/dbraw/zinc/61/66/11/623616611.db2.gz AQPCZKBTBBVBGK-OAHLLOKOSA-N 0 3 293.455 2.694 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000825710599 623744716 /nfs/dbraw/zinc/74/47/16/623744716.db2.gz VMQOWUHISUTOJN-KGLIPLIRSA-N 0 3 261.365 2.554 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990203 623833077 /nfs/dbraw/zinc/83/30/77/623833077.db2.gz YZTNAUNHBNTTDK-UKRRQHHQSA-N 0 3 264.413 2.722 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987363 623834477 /nfs/dbraw/zinc/83/44/77/623834477.db2.gz NTTYDAGEBAIECT-HOCLYGCPSA-N 0 3 276.424 2.559 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993023720 623846436 /nfs/dbraw/zinc/84/64/36/623846436.db2.gz CZGMHIAZVRXVPI-TZMCWYRMSA-N 0 3 278.421 2.907 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993072556 623886526 /nfs/dbraw/zinc/88/65/26/623886526.db2.gz QBCCARLFGVAOKL-OLZOCXBDSA-N 0 3 293.436 2.610 20 30 CFEDHN C=CCNC(=S)NC[C@H](c1ccsc1)N(CC)CC ZINC000915126486 623987379 /nfs/dbraw/zinc/98/73/79/623987379.db2.gz GJIDTMXLRGIIMR-CYBMUJFWSA-N 0 3 297.493 2.781 20 30 CFEDHN C=CCOc1cccc(CNC[C@H](O)c2ccco2)c1 ZINC000915227924 624000417 /nfs/dbraw/zinc/00/04/17/624000417.db2.gz CYNGOBOJIZWSJK-HNNXBMFYSA-N 0 3 273.332 2.668 20 30 CFEDHN CCN(CC)c1ccc(C=NOC[C@@H]2CCOC2)cc1 ZINC000788037345 624005934 /nfs/dbraw/zinc/00/59/34/624005934.db2.gz UMHTYLBJDMBKDX-OAHLLOKOSA-N 0 3 276.380 2.920 20 30 CFEDHN C#C[C@H](NCc1ccc(C)cc1OC)C1CCOCC1 ZINC000827555498 624030437 /nfs/dbraw/zinc/03/04/37/624030437.db2.gz VFKRGQUDLONPBT-INIZCTEOSA-N 0 3 273.376 2.522 20 30 CFEDHN C#C[C@@H](NCc1c(F)cccc1CC)C1CCOCC1 ZINC000827560689 624032307 /nfs/dbraw/zinc/03/23/07/624032307.db2.gz TXBACYODZKPAFU-QGZVFWFLSA-N 0 3 275.367 2.906 20 30 CFEDHN C#C[C@H](NCc1cc(C)nc(Cl)c1)C1CCOCC1 ZINC000827560851 624032639 /nfs/dbraw/zinc/03/26/39/624032639.db2.gz VKCKOEDCQABEFX-AWEZNQCLSA-N 0 3 278.783 2.561 20 30 CFEDHN C#C[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC000827566443 624034333 /nfs/dbraw/zinc/03/43/33/624034333.db2.gz VJKXEFQUKXWIQB-HNNXBMFYSA-N 0 3 293.794 2.872 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc2occc2c1 ZINC000827827420 624103898 /nfs/dbraw/zinc/10/38/98/624103898.db2.gz UPKNUZOOMBNULD-UHFFFAOYSA-N 0 3 257.333 2.905 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(O)(c2cccc(C)c2C)CC1 ZINC000827894213 624122760 /nfs/dbraw/zinc/12/27/60/624122760.db2.gz MGGWSXANRKFFCJ-KRWDZBQOSA-N 0 3 289.419 2.524 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993381092 624128661 /nfs/dbraw/zinc/12/86/61/624128661.db2.gz NCYJRSCPKHNIJD-RDJZCZTQSA-N 0 3 286.419 2.830 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)c2ccn3ccccc23)[C@H]1C ZINC000993591728 624154925 /nfs/dbraw/zinc/15/49/25/624154925.db2.gz SEDIOBIRXNDAQM-GDBMZVCRSA-N 0 3 297.402 2.708 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)[C@H]2C)cc1 ZINC000993663677 624156498 /nfs/dbraw/zinc/15/64/98/624156498.db2.gz CWMZFPFDDSJUNH-YJBOKZPZSA-N 0 3 296.414 2.827 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993709603 624159450 /nfs/dbraw/zinc/15/94/50/624159450.db2.gz WESKEOLLKMUTQL-AALSBFMBSA-N 0 3 276.424 2.578 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993691931 624160691 /nfs/dbraw/zinc/16/06/91/624160691.db2.gz HYFDMPLCFHMFGJ-DZGCQCFKSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993691934 624161179 /nfs/dbraw/zinc/16/11/79/624161179.db2.gz HYFDMPLCFHMFGJ-HIFRSBDPSA-N 0 3 278.440 2.968 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993742981 624165079 /nfs/dbraw/zinc/16/50/79/624165079.db2.gz OSFSNPUZVJIDGB-NVXWUHKLSA-N 0 3 288.435 2.725 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2occc2C)[C@H]1C ZINC000993761747 624166207 /nfs/dbraw/zinc/16/62/07/624166207.db2.gz JUAOXEUHBFCHDV-CABCVRRESA-N 0 3 290.407 2.676 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCCF)[C@H]2C)C1 ZINC000993786520 624168964 /nfs/dbraw/zinc/16/89/64/624168964.db2.gz GEBWXEWAOCXULQ-KBPBESRZSA-N 0 3 282.403 2.671 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993823525 624171059 /nfs/dbraw/zinc/17/10/59/624171059.db2.gz YJKOTNKNEZRMFS-UKRRQHHQSA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC000994061287 624178753 /nfs/dbraw/zinc/17/87/53/624178753.db2.gz OOBKKDJJIPLXKT-OLZOCXBDSA-N 0 3 293.436 2.692 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994358342 624277733 /nfs/dbraw/zinc/27/77/33/624277733.db2.gz ZZVIZKJMKUENMI-AEFFLSMTSA-N 0 3 298.430 2.909 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994352856 624278506 /nfs/dbraw/zinc/27/85/06/624278506.db2.gz OHJHHNNNXZVUPA-WMZOPIPTSA-N 0 3 298.430 2.909 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccn2CC)[C@H]1C ZINC000994420823 624293806 /nfs/dbraw/zinc/29/38/06/624293806.db2.gz LCOPBKKPLZHYRJ-HUUCEWRRSA-N 0 3 289.423 2.667 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(C2CCCCC2)CC1 ZINC000917059172 624304123 /nfs/dbraw/zinc/30/41/23/624304123.db2.gz AABCTCVETAIHBB-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000918055525 624413047 /nfs/dbraw/zinc/41/30/47/624413047.db2.gz CKLSOXOTMCUZMO-MRXNPFEDSA-N 0 3 289.423 2.895 20 30 CFEDHN C=CCC[C@@H](CO)Nc1ccnc2cc(OC)ccc21 ZINC000829391295 624429386 /nfs/dbraw/zinc/42/93/86/624429386.db2.gz ZGSHALOMZQKULH-LBPRGKRZSA-N 0 3 272.348 2.982 20 30 CFEDHN CCCCCCCC(=O)N[C@@H]1CCCN(CC)C1 ZINC000918396371 624434083 /nfs/dbraw/zinc/43/40/83/624434083.db2.gz MLNSJFDIQKBFHZ-CQSZACIVSA-N 0 3 254.418 2.947 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000829768562 624527445 /nfs/dbraw/zinc/52/74/45/624527445.db2.gz GDMBJODHAZETPF-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)NC2CCCCCC2)C1 ZINC000829769373 624528788 /nfs/dbraw/zinc/52/87/88/624528788.db2.gz TZZZETSTMFJUDC-OAHLLOKOSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000829773775 624531111 /nfs/dbraw/zinc/53/11/11/624531111.db2.gz JLEHMEUPMDVTOG-CQSZACIVSA-N 0 3 253.349 2.570 20 30 CFEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000829779011 624532931 /nfs/dbraw/zinc/53/29/31/624532931.db2.gz LTBTUEPDILSESW-MLGOLLRUSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000829779592 624534878 /nfs/dbraw/zinc/53/48/78/624534878.db2.gz XDEKOHGXHMASSE-LSDHHAIUSA-N 0 3 270.376 2.749 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc(OC)cc(C)n2)C1 ZINC000829805396 624546759 /nfs/dbraw/zinc/54/67/59/624546759.db2.gz SURFGBJWWOFGON-AWEZNQCLSA-N 0 3 258.365 2.634 20 30 CFEDHN C#CC1CCN(CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000830304982 624704450 /nfs/dbraw/zinc/70/44/50/624704450.db2.gz DGURVYCXRFHGJN-UHFFFAOYSA-N 0 3 298.430 2.769 20 30 CFEDHN C#CC1CCN([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000830343531 624714475 /nfs/dbraw/zinc/71/44/75/624714475.db2.gz YWRSGVRQVULNFT-LBPRGKRZSA-N 0 3 275.348 2.781 20 30 CFEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000180736902 625036950 /nfs/dbraw/zinc/03/69/50/625036950.db2.gz VSXMPMRQYMDUFL-OAHLLOKOSA-N 0 3 282.343 2.836 20 30 CFEDHN COC(=O)C1(C#N)CCN(CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000831690823 625097012 /nfs/dbraw/zinc/09/70/12/625097012.db2.gz FHCYDEPFJPYUIU-HUUCEWRRSA-N 0 3 292.423 2.982 20 30 CFEDHN COC(=O)C1(C#N)CCN(C[C@H](C)C2CCCCC2)CC1 ZINC000831699629 625099815 /nfs/dbraw/zinc/09/98/15/625099815.db2.gz SOOBHCKGOGENMC-AWEZNQCLSA-N 0 3 292.423 2.982 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Br)nc1 ZINC000834887685 625909804 /nfs/dbraw/zinc/90/98/04/625909804.db2.gz HSWOJVPZRPPKQW-JLLWLGSASA-N 0 3 297.196 2.838 20 30 CFEDHN C#Cc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000834903379 625916624 /nfs/dbraw/zinc/91/66/24/625916624.db2.gz OXKFEUXOEYJULJ-INIZCTEOSA-N 0 3 265.360 2.569 20 30 CFEDHN Nc1ccc2c(c1)CCCC2=NN[C@H](CO)c1ccccc1 ZINC000834976762 625941315 /nfs/dbraw/zinc/94/13/15/625941315.db2.gz OFUQTKBLZCNHCG-GOSISDBHSA-N 0 3 295.386 2.632 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccc(C)c2)CC1 ZINC000996907880 625941638 /nfs/dbraw/zinc/94/16/38/625941638.db2.gz QFPGNTGUMWHLIU-MRXNPFEDSA-N 0 3 298.430 2.849 20 30 CFEDHN COCCCCNCc1cc(C#N)ccc1Br ZINC000921544719 625981591 /nfs/dbraw/zinc/98/15/91/625981591.db2.gz VKFGZSFSDKBLKN-UHFFFAOYSA-N 0 3 297.196 2.837 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC000997275380 625986187 /nfs/dbraw/zinc/98/61/87/625986187.db2.gz WMKXBXYXMIBXIK-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320211363 626009034 /nfs/dbraw/zinc/00/90/34/626009034.db2.gz FIFQCJCTRKVQJH-LBPRGKRZSA-N 0 3 284.743 2.665 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2cccc(C)c2C)CC1 ZINC000997858823 626017150 /nfs/dbraw/zinc/01/71/50/626017150.db2.gz VQHNDFLDEWEWFY-INIZCTEOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997924166 626023060 /nfs/dbraw/zinc/02/30/60/626023060.db2.gz BFBUBROTYJOBPM-QGZVFWFLSA-N 0 3 284.403 2.636 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)C=C(C)C)CC[C@H]1C(F)(F)F ZINC000998227489 626036711 /nfs/dbraw/zinc/03/67/11/626036711.db2.gz SSXKXHSNTONMKX-VXGBXAGGSA-N 0 3 290.329 2.508 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2occc2C)C1 ZINC000998453862 626051689 /nfs/dbraw/zinc/05/16/89/626051689.db2.gz NGLXQRUSVSNXKR-UHFFFAOYSA-N 0 3 282.771 2.533 20 30 CFEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCSC2)c1 ZINC000921793988 626125994 /nfs/dbraw/zinc/12/59/94/626125994.db2.gz OXAXZCYPMQJGTD-LLVKDONJSA-N 0 3 297.221 2.916 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc3occc3c2)CC1 ZINC001000722939 626129586 /nfs/dbraw/zinc/12/95/86/626129586.db2.gz HFVJAXRFILEOMT-UHFFFAOYSA-N 0 3 296.370 2.981 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775315 626131741 /nfs/dbraw/zinc/13/17/41/626131741.db2.gz BQYWWGANUOPZPW-KBPBESRZSA-N 0 3 298.377 2.602 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(F)ccc2F)CC1 ZINC001000775285 626131819 /nfs/dbraw/zinc/13/18/19/626131819.db2.gz APOATMBDCKTHLO-UHFFFAOYSA-N 0 3 292.329 2.513 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2c[nH]c3ccccc23)CC1 ZINC001000914893 626135154 /nfs/dbraw/zinc/13/51/54/626135154.db2.gz PCYCMASOJCHJIM-UHFFFAOYSA-N 0 3 295.386 2.716 20 30 CFEDHN C=C[C@@H](C(=O)N1CCC[C@H](NCCF)C1)c1ccccc1 ZINC001000985206 626139527 /nfs/dbraw/zinc/13/95/27/626139527.db2.gz VSZQJNQHOGANNU-JKSUJKDBSA-N 0 3 290.382 2.506 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001001113955 626145432 /nfs/dbraw/zinc/14/54/32/626145432.db2.gz FRZNJBVSIGLOOU-UHFFFAOYSA-N 0 3 295.386 2.716 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001001775758 626162630 /nfs/dbraw/zinc/16/26/30/626162630.db2.gz DLZJEHOLUNKKKI-NVXWUHKLSA-N 0 3 290.451 2.664 20 30 CFEDHN C[C@@]1(NCc2csc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000921990035 626192182 /nfs/dbraw/zinc/19/21/82/626192182.db2.gz MIUNOJKVHOEYDF-ZIAGYGMSSA-N 0 3 262.378 2.667 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3occc3c2)CC1 ZINC001002886628 626201726 /nfs/dbraw/zinc/20/17/26/626201726.db2.gz MCXQZFDQDCFSNZ-UHFFFAOYSA-N 0 3 284.359 2.813 20 30 CFEDHN Cn1cc(CNCC2(CC#N)CC2)c(C2CCCC2)n1 ZINC000922085798 626205593 /nfs/dbraw/zinc/20/55/93/626205593.db2.gz VUAFACCGGCLIBO-UHFFFAOYSA-N 0 3 272.396 2.861 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3c(o2)CCCC3)CC1 ZINC001002985160 626209785 /nfs/dbraw/zinc/20/97/85/626209785.db2.gz WGMFWHJWZSHSQQ-UHFFFAOYSA-N 0 3 288.391 2.539 20 30 CFEDHN C[C@H](NCc1csc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000922135936 626215758 /nfs/dbraw/zinc/21/57/58/626215758.db2.gz SRSNTUFMKWXUTM-XHDPSFHLSA-N 0 3 272.373 2.831 20 30 CFEDHN C[C@H](CNCc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000922227553 626245014 /nfs/dbraw/zinc/24/50/14/626245014.db2.gz YLFGGDCHECOBPY-SNVBAGLBSA-N 0 3 280.393 2.687 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cnoc2C(C)C)CC1 ZINC001003894439 626265393 /nfs/dbraw/zinc/26/53/93/626265393.db2.gz XKRIBZLLFSIMDE-UHFFFAOYSA-N 0 3 291.395 2.568 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)cs1 ZINC000922325300 626270820 /nfs/dbraw/zinc/27/08/20/626270820.db2.gz BAZQCMYCPWXBNM-SGMGOOAPSA-N 0 3 262.378 2.667 20 30 CFEDHN C#CC1(NCc2cnn(CC3CCC3)c2)CCCC1 ZINC000922333960 626273635 /nfs/dbraw/zinc/27/36/35/626273635.db2.gz AWFKNDVTRHJJDR-UHFFFAOYSA-N 0 3 257.381 2.719 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)CC2CC=CC2)c1 ZINC000851729460 634494197 /nfs/dbraw/zinc/49/41/97/634494197.db2.gz ASNMHCKONSBPQK-UHFFFAOYSA-N 0 3 268.360 2.504 20 30 CFEDHN C[C@@](O)(CNCc1csc(C#N)c1)c1cccc(F)c1 ZINC000922562871 626309260 /nfs/dbraw/zinc/30/92/60/626309260.db2.gz VYHUZTCGSLDXRL-OAHLLOKOSA-N 0 3 290.363 2.756 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000851730777 634496120 /nfs/dbraw/zinc/49/61/20/634496120.db2.gz SSRRFZRULSTLLZ-IXDOHACOSA-N 0 3 296.414 2.974 20 30 CFEDHN C#CCOCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000851732752 634497775 /nfs/dbraw/zinc/49/77/75/634497775.db2.gz BZQKVUVQRFSDLX-UHFFFAOYSA-N 0 3 285.387 2.540 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)[C@H]1CC[C@@H](OC)C1 ZINC000851737982 634502335 /nfs/dbraw/zinc/50/23/35/634502335.db2.gz STSRURTYDYQWRO-JKSUJKDBSA-N 0 3 261.340 2.828 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H]2OCCc3ccccc32)o1 ZINC000922960792 626434212 /nfs/dbraw/zinc/43/42/12/626434212.db2.gz AFAPCJFYAURGAO-KRWDZBQOSA-N 0 3 282.343 2.945 20 30 CFEDHN C#CCC1(NCc2cc3n(n2)CCC3)CCCCC1 ZINC000922981875 626439193 /nfs/dbraw/zinc/43/91/93/626439193.db2.gz TUCAMOGZMRYWOF-UHFFFAOYSA-N 0 3 257.381 2.645 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001005900650 626448848 /nfs/dbraw/zinc/44/88/48/626448848.db2.gz HRBKWELTWJWWPS-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccnc2C)CC1 ZINC001005910599 626449377 /nfs/dbraw/zinc/44/93/77/626449377.db2.gz FZEJQPBJJXGGOK-UHFFFAOYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001005950295 626453638 /nfs/dbraw/zinc/45/36/38/626453638.db2.gz SLHYUIKORMOMGT-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000923557215 626479715 /nfs/dbraw/zinc/47/97/15/626479715.db2.gz SOYWAMHXDPDMAB-HUUCEWRRSA-N 0 3 272.392 2.863 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccccc2)CC1 ZINC001006309786 626482690 /nfs/dbraw/zinc/48/26/90/626482690.db2.gz IFIHNYFBPIIVSY-OAHLLOKOSA-N 0 3 286.419 2.899 20 30 CFEDHN CCC(C)(C)OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838786332 626506749 /nfs/dbraw/zinc/50/67/49/626506749.db2.gz HZUSFILYEHINNO-CYBMUJFWSA-N 0 3 288.347 2.539 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)Cc1cccc(C(C)C)c1 ZINC000838786701 626506796 /nfs/dbraw/zinc/50/67/96/626506796.db2.gz CEWASGQAQACIDZ-HNNXBMFYSA-N 0 3 286.375 2.586 20 30 CFEDHN CC(C)CN(CCC#N)CCCCC1(C)OCCO1 ZINC000838856172 626511317 /nfs/dbraw/zinc/51/13/17/626511317.db2.gz XQJICOHCKQIXDK-UHFFFAOYSA-N 0 3 268.401 2.791 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000839141744 626528441 /nfs/dbraw/zinc/52/84/41/626528441.db2.gz YHRRHSRRFXAWGB-CQSZACIVSA-N 0 3 286.375 2.590 20 30 CFEDHN C#CC[C@H](NCc1ccc2c(c1)nnn2C)c1ccccc1 ZINC000756998478 626543256 /nfs/dbraw/zinc/54/32/56/626543256.db2.gz WUGGOZHSEMAEGL-INIZCTEOSA-N 0 3 290.370 2.823 20 30 CFEDHN C#CC[C@H](NCc1nc(C)ccc1O)c1ccccc1 ZINC000756996827 626543290 /nfs/dbraw/zinc/54/32/90/626543290.db2.gz SCWXGSNBKSLFJL-HNNXBMFYSA-N 0 3 266.344 2.950 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757104500 626544994 /nfs/dbraw/zinc/54/49/94/626544994.db2.gz UJAICDLJDJAKMG-ZIAGYGMSSA-N 0 3 280.412 2.635 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)OCCCCCC)CC1 ZINC000839661414 626550175 /nfs/dbraw/zinc/55/01/75/626550175.db2.gz BECJQWIWSSRFMX-HNNXBMFYSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCN1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839677513 626551942 /nfs/dbraw/zinc/55/19/42/626551942.db2.gz URVIVPZXQBKNCN-OAHLLOKOSA-N 0 3 266.385 2.648 20 30 CFEDHN C=CCONC(=O)c1cccc(CN2CCCCC2)c1 ZINC000839788278 626555508 /nfs/dbraw/zinc/55/55/08/626555508.db2.gz ADLHYTXADWXJRX-UHFFFAOYSA-N 0 3 274.364 2.520 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cncc(F)c2)nc(C)n1 ZINC000759204863 626636318 /nfs/dbraw/zinc/63/63/18/626636318.db2.gz NBBSWWYLNOKPJK-RDFMZFSFSA-N 0 3 296.305 2.517 20 30 CFEDHN C=CC[C@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000760478210 626749357 /nfs/dbraw/zinc/74/93/57/626749357.db2.gz IXKWLOUQKFTZIL-STQMWFEESA-N 0 3 256.353 2.883 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(Cl)cc1 ZINC000760818479 626774705 /nfs/dbraw/zinc/77/47/05/626774705.db2.gz FECQMMLATLCOLE-UHFFFAOYSA-N 0 3 251.757 2.812 20 30 CFEDHN CC(C)CC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000760926702 626783698 /nfs/dbraw/zinc/78/36/98/626783698.db2.gz PJJOJGKJEKZCLW-CQSZACIVSA-N 0 3 279.428 2.505 20 30 CFEDHN C#CCOCCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000761109235 626806163 /nfs/dbraw/zinc/80/61/63/626806163.db2.gz OVRHXBDNXOKRPI-UHFFFAOYSA-N 0 3 271.282 2.787 20 30 CFEDHN C#CCOCCN(C)Cc1ccccc1C(F)(F)F ZINC000761110871 626806179 /nfs/dbraw/zinc/80/61/79/626806179.db2.gz WUIGQDAVAMHHNU-UHFFFAOYSA-N 0 3 271.282 2.787 20 30 CFEDHN C#CCOCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000761108418 626806245 /nfs/dbraw/zinc/80/62/45/626806245.db2.gz MJQNYVVROAVCBZ-LLVKDONJSA-N 0 3 253.292 2.607 20 30 CFEDHN C#CCOCCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000851786845 634530433 /nfs/dbraw/zinc/53/04/33/634530433.db2.gz GBMZLTVKYVZSHW-BBRMVZONSA-N 0 3 261.340 2.858 20 30 CFEDHN CCCCCCCCN1CCN(C(C)=O)C[C@H]1C ZINC000763414739 626987205 /nfs/dbraw/zinc/98/72/05/626987205.db2.gz BTFSFQJRTKANQG-CQSZACIVSA-N 0 3 254.418 2.900 20 30 CFEDHN C[C@H](C[C@H](O)c1ccco1)NCc1ccc(C#N)cc1F ZINC000763525196 626995004 /nfs/dbraw/zinc/99/50/04/626995004.db2.gz UGCYTYHKYMCMDI-ABAIWWIYSA-N 0 3 288.322 2.892 20 30 CFEDHN C#CCN(C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000763943961 627023832 /nfs/dbraw/zinc/02/38/32/627023832.db2.gz IDFQGDJCQYMIBT-AWEZNQCLSA-N 0 3 297.320 2.706 20 30 CFEDHN C#Cc1cccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000765663701 627153163 /nfs/dbraw/zinc/15/31/63/627153163.db2.gz PWJMXSSNJWOJPY-KRWDZBQOSA-N 0 3 297.402 2.806 20 30 CFEDHN C#CCCCN[C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000766220768 627185422 /nfs/dbraw/zinc/18/54/22/627185422.db2.gz CGLOUVGSOQETBE-AWEZNQCLSA-N 0 3 282.391 2.948 20 30 CFEDHN Cc1cc(CNCC[S@](=O)C(C)(C)C)ccc1C#N ZINC000767688050 627275135 /nfs/dbraw/zinc/27/51/35/627275135.db2.gz AGWJSNVKDPFKFD-IBGZPJMESA-N 0 3 278.421 2.504 20 30 CFEDHN C#CCOCCN1CCC(Oc2ccccc2Cl)CC1 ZINC000851865561 634563966 /nfs/dbraw/zinc/56/39/66/634563966.db2.gz BMEGRJGPYMCQIL-UHFFFAOYSA-N 0 3 293.794 2.833 20 30 CFEDHN CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1csc(N)n1 ZINC000769822896 627479167 /nfs/dbraw/zinc/47/91/67/627479167.db2.gz ODVIYPDXCAVLHJ-UHFFFAOYSA-N 0 3 295.299 2.609 20 30 CFEDHN C#CCCCCCC(=O)OCCN1CCCCC1 ZINC000770414467 627520967 /nfs/dbraw/zinc/52/09/67/627520967.db2.gz GUMBWXGEHOQQIL-UHFFFAOYSA-N 0 3 251.370 2.599 20 30 CFEDHN C=CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772322403 627702141 /nfs/dbraw/zinc/70/21/41/627702141.db2.gz FSFJZNSDTMXSJL-OLZOCXBDSA-N 0 3 268.401 2.892 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000774245862 627908393 /nfs/dbraw/zinc/90/83/93/627908393.db2.gz VTZXWZFLEXTAFK-HOCLYGCPSA-N 0 3 268.360 2.871 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000774541897 627936418 /nfs/dbraw/zinc/93/64/18/627936418.db2.gz LVVNMGIRGZSRIM-ZIAGYGMSSA-N 0 3 281.469 2.840 20 30 CFEDHN C#CCNC(=O)CN[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000775462378 628028570 /nfs/dbraw/zinc/02/85/70/628028570.db2.gz YYJKEUQKMVPVOM-HNNXBMFYSA-N 0 3 292.810 2.766 20 30 CFEDHN C#C[C@H](N[C@H](CC)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000775571209 628040055 /nfs/dbraw/zinc/04/00/55/628040055.db2.gz CKTRCZNDZWSRPH-FGTMMUONSA-N 0 3 286.419 2.974 20 30 CFEDHN C#C[C@@H](NC1CC(c2ccccc2F)C1)[C@@H]1CCCO1 ZINC000775573298 628041346 /nfs/dbraw/zinc/04/13/46/628041346.db2.gz GSHOLHYWGSJOSY-YCUKKYJWSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](NCc1cc(C)nc2ccccc12)[C@H]1CCCO1 ZINC000775783806 628067187 /nfs/dbraw/zinc/06/71/87/628067187.db2.gz DKFNDVNWNABSPK-FUHWJXTLSA-N 0 3 280.371 2.814 20 30 CFEDHN C#C[C@H](NCc1c(C)cc(C)cc1C)[C@H]1CCCO1 ZINC000775784559 628067570 /nfs/dbraw/zinc/06/75/70/628067570.db2.gz KEGXQNKVHKWLFC-DLBZAZTESA-N 0 3 257.377 2.882 20 30 CFEDHN C#C[C@@H](NCCSc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775788619 628068400 /nfs/dbraw/zinc/06/84/00/628068400.db2.gz ICXKVZZAIBRQSF-HUUCEWRRSA-N 0 3 279.380 2.688 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000775985114 628090820 /nfs/dbraw/zinc/09/08/20/628090820.db2.gz JUFVOULOTUSWKF-CVEARBPZSA-N 0 3 286.419 2.613 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC000776512680 628155036 /nfs/dbraw/zinc/15/50/36/628155036.db2.gz TZZPRUNFDZXKTM-UTUOFQBUSA-N 0 3 284.315 2.819 20 30 CFEDHN Cc1ncsc1C=CC([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000777292033 628212359 /nfs/dbraw/zinc/21/23/59/628212359.db2.gz DXJNZMIOLZLORI-ZYOFXKKJSA-N 0 3 298.371 2.748 20 30 CFEDHN Cc1ncsc1C=CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000777292033 628212362 /nfs/dbraw/zinc/21/23/62/628212362.db2.gz DXJNZMIOLZLORI-ZYOFXKKJSA-N 0 3 298.371 2.748 20 30 CFEDHN CC(CN1CCCCCC1)=NO[C@@H]1CCCCO1 ZINC000777442897 628226468 /nfs/dbraw/zinc/22/64/68/628226468.db2.gz GINRWWFSNLKOCQ-CQSZACIVSA-N 0 3 254.374 2.782 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H](C)OC ZINC000778165878 628282316 /nfs/dbraw/zinc/28/23/16/628282316.db2.gz UXSWJTUQRXPISH-GFCCVEGCSA-N 0 3 281.783 2.867 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)CCCC(C)C ZINC000852096358 634649137 /nfs/dbraw/zinc/64/91/37/634649137.db2.gz AQAPSJMHJXJZOK-GDBMZVCRSA-N 0 3 266.429 2.709 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000852097840 634651688 /nfs/dbraw/zinc/65/16/88/634651688.db2.gz XVTDNMQDJDCUHM-KDOFPFPSSA-N 0 3 286.419 2.818 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000852098523 634651737 /nfs/dbraw/zinc/65/17/37/634651737.db2.gz PCVWEGYCTAEKHB-PBFPGSCMSA-N 0 3 290.382 2.783 20 30 CFEDHN CC(CCc1ccc(Cl)s1)=NNC1=N[C@@H](C)CN1 ZINC000779792185 628406756 /nfs/dbraw/zinc/40/67/56/628406756.db2.gz PMXARUPURWJDAV-VIFPVBQESA-N 0 3 284.816 2.647 20 30 CFEDHN CCN(C)c1ccc(C(C)=NN[C@H]2CCCOC2)cc1 ZINC000780249498 628444822 /nfs/dbraw/zinc/44/48/22/628444822.db2.gz AXCMKYCTKNGLTI-HNNXBMFYSA-N 0 3 275.396 2.635 20 30 CFEDHN CCN(CC)c1ccc(C=NN[C@@H]2CCCOC2)cc1 ZINC000780263109 628447779 /nfs/dbraw/zinc/44/77/79/628447779.db2.gz QWMRDLTWMJYEHP-OAHLLOKOSA-N 0 3 275.396 2.635 20 30 CFEDHN Cc1ccc(OCCN2CCC(C)(C#N)CC2)cc1 ZINC000780336402 628456405 /nfs/dbraw/zinc/45/64/05/628456405.db2.gz LSHBGJHLAQQUJT-UHFFFAOYSA-N 0 3 258.365 3.000 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)c1ccccc1O ZINC000783300979 628698183 /nfs/dbraw/zinc/69/81/83/628698183.db2.gz RUSQGKXBBATNRP-NSHDSACASA-N 0 3 253.305 2.510 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCc2ccsc2)CC1 ZINC000783419330 628706080 /nfs/dbraw/zinc/70/60/80/628706080.db2.gz NKOVMZHUJROYIE-UHFFFAOYSA-N 0 3 292.448 2.837 20 30 CFEDHN CCCCCCCNCc1cn(Cc2cccnc2)nn1 ZINC000784494812 628821954 /nfs/dbraw/zinc/82/19/54/628821954.db2.gz IVAIXMGUGCRCQD-UHFFFAOYSA-N 0 3 287.411 2.781 20 30 CFEDHN CC#CCN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764180 628830984 /nfs/dbraw/zinc/83/09/84/628830984.db2.gz YEBAQTFHGYKAOE-CQSZACIVSA-N 0 3 280.412 2.779 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000787067997 628990891 /nfs/dbraw/zinc/99/08/91/628990891.db2.gz LKCURKWHDDYMAT-LSDHHAIUSA-N 0 3 296.370 2.544 20 30 CFEDHN C#CCOCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000787273810 629003937 /nfs/dbraw/zinc/00/39/37/629003937.db2.gz YPGCQPJFGPQWOB-UHFFFAOYSA-N 0 3 255.720 2.561 20 30 CFEDHN Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(CC#N)CC2)c([O-])c1 ZINC000788595002 629085026 /nfs/dbraw/zinc/08/50/26/629085026.db2.gz QQLDOLYWWUUUNV-CQSZACIVSA-N 0 3 287.407 2.648 20 30 CFEDHN CC[C@H](C)NN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000790189059 629218252 /nfs/dbraw/zinc/21/82/52/629218252.db2.gz MRJRBRFWBQEBOT-ZDUSSCGKSA-N 0 3 275.396 2.635 20 30 CFEDHN Cn1cc[nH+]c1[N-]N=Cc1csc(Br)c1 ZINC000790302622 629228353 /nfs/dbraw/zinc/22/83/53/629228353.db2.gz WCQWSWHXYOOQOY-UHFFFAOYSA-N 0 3 285.170 2.690 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)OCc2ccccc2)C1 ZINC000852319745 634720728 /nfs/dbraw/zinc/72/07/28/634720728.db2.gz RIFQEOUIMJMONV-HNNXBMFYSA-N 0 3 286.375 2.746 20 30 CFEDHN C=CCN(Cc1ccc2c(c1)COC2)[C@H](C)COC ZINC000852356366 634731081 /nfs/dbraw/zinc/73/10/81/634731081.db2.gz CKHFXJHZIUOBJE-CYBMUJFWSA-N 0 3 261.365 2.740 20 30 CFEDHN COc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c([O-])c1 ZINC000793391332 629536813 /nfs/dbraw/zinc/53/68/13/629536813.db2.gz VJCNOFXYGLZITH-UHFFFAOYSA-N 0 3 282.343 2.871 20 30 CFEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1nncn1C ZINC000793527164 629562223 /nfs/dbraw/zinc/56/22/23/629562223.db2.gz OLBRPFAFRYFJRU-CHWSQXEVSA-N 0 3 250.390 2.991 20 30 CFEDHN C=CCCCCC[C@H](C)N[C@H](C)c1nncn1C ZINC000793527170 629562275 /nfs/dbraw/zinc/56/22/75/629562275.db2.gz OLBRPFAFRYFJRU-QWHCGFSZSA-N 0 3 250.390 2.991 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OCC(C)(C)CC#N)c1 ZINC000835303551 629609373 /nfs/dbraw/zinc/60/93/73/629609373.db2.gz JJOKURXUEWZIAR-UHFFFAOYSA-N 0 3 274.364 2.845 20 30 CFEDHN COCCCNN=Cc1ccc(N2CCCCC2)cc1 ZINC000794540091 629657362 /nfs/dbraw/zinc/65/73/62/629657362.db2.gz YKPRLJIZUTUUEB-UHFFFAOYSA-N 0 3 275.396 2.637 20 30 CFEDHN Cc1nnc(C)n1N=C/C=C\c1ccc(F)c(F)c1 ZINC000794882525 629699009 /nfs/dbraw/zinc/69/90/09/629699009.db2.gz OSPBZVMCSHGKSI-LQQBLGBGSA-N 0 3 262.263 2.720 20 30 CFEDHN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(C)c1 ZINC000794921846 629705044 /nfs/dbraw/zinc/70/50/44/629705044.db2.gz DTSSSQRRNZKDKJ-IYBDPMFKSA-N 0 3 284.407 2.969 20 30 CFEDHN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(C)c1 ZINC000794921844 629705071 /nfs/dbraw/zinc/70/50/71/629705071.db2.gz DTSSSQRRNZKDKJ-HZPDHXFCSA-N 0 3 284.407 2.969 20 30 CFEDHN COCCN(C)N=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000794966635 629712174 /nfs/dbraw/zinc/71/21/74/629712174.db2.gz VGQAJOCUXGCPMV-GJWZEZQRSA-N 0 3 287.407 2.862 20 30 CFEDHN CCN(CC)c1ccc(C=NOCCCOC)cc1 ZINC000795049066 629729429 /nfs/dbraw/zinc/72/94/29/629729429.db2.gz WKDCASPRXHWVOW-UHFFFAOYSA-N 0 3 264.369 2.920 20 30 CFEDHN CCN(C)c1ccc(C(C)=NOCCCOC)cc1 ZINC000795055608 629731008 /nfs/dbraw/zinc/73/10/08/629731008.db2.gz NMCCFTUKHAEGLD-UHFFFAOYSA-N 0 3 264.369 2.920 20 30 CFEDHN C=CCN1CCCC[C@@H]1COC(=O)NCCCC ZINC000796164419 629884692 /nfs/dbraw/zinc/88/46/92/629884692.db2.gz MTKPNRBGLHPSHR-CYBMUJFWSA-N 0 3 254.374 2.553 20 30 CFEDHN CCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000796633885 629943591 /nfs/dbraw/zinc/94/35/91/629943591.db2.gz QDRHISNQCOLTLE-ZDUSSCGKSA-N 0 3 272.348 2.869 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCc2n[nH]cc21 ZINC000796973434 629997645 /nfs/dbraw/zinc/99/76/45/629997645.db2.gz XKJVQKLJNGMIOP-JKSUJKDBSA-N 0 3 278.359 2.936 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000797877977 630116420 /nfs/dbraw/zinc/11/64/20/630116420.db2.gz IFWZHADPWJWQPP-WMLDXEAASA-N 0 3 291.391 2.862 20 30 CFEDHN C#CCN(CC1(CC(=O)OC)CC1)[C@@H]1CCc2ccccc21 ZINC000799296412 630293520 /nfs/dbraw/zinc/29/35/20/630293520.db2.gz CKNQASZFRLWKPG-QGZVFWFLSA-N 0 3 297.398 2.952 20 30 CFEDHN COc1cc(CN[C@H](C)c2ccc[nH]2)ccc1C#N ZINC000799341121 630301115 /nfs/dbraw/zinc/30/11/15/630301115.db2.gz XDEPWWDLILOXNI-LLVKDONJSA-N 0 3 255.321 2.746 20 30 CFEDHN N#Cc1ccc(CN[C@H](CCO)Cc2ccccc2)c(F)c1 ZINC000799350147 630303175 /nfs/dbraw/zinc/30/31/75/630303175.db2.gz PNKWTVHIQFFKIP-QGZVFWFLSA-N 0 3 298.361 2.781 20 30 CFEDHN O=C1C=C(NNc2cccc3c2CCCC3)C2CCCN12 ZINC000799478234 630313094 /nfs/dbraw/zinc/31/30/94/630313094.db2.gz XTQKXFSRGSXJHG-MRXNPFEDSA-N 0 3 283.375 2.728 20 30 CFEDHN COc1cc(CN2CC[C@H](c3ccccn3)C2)ccc1C#N ZINC000799734949 630341576 /nfs/dbraw/zinc/34/15/76/630341576.db2.gz HERZSOYZILNKGZ-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN C=C[C@H](CO)NCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000852714274 634811963 /nfs/dbraw/zinc/81/19/63/634811963.db2.gz GTPUDHQTBZWCPY-CYBMUJFWSA-N 0 3 292.379 2.670 20 30 CFEDHN Cc1cc(COC(=O)C2CCN(C3CC3)CC2)ccc1C#N ZINC000801875147 630483086 /nfs/dbraw/zinc/48/30/86/630483086.db2.gz JZLMOQPQPZIDDU-UHFFFAOYSA-N 0 3 298.386 2.784 20 30 CFEDHN C[C@@H](C#N)OCCN(C)CCOc1cccc(Cl)c1 ZINC000801910369 630485448 /nfs/dbraw/zinc/48/54/48/630485448.db2.gz PYBMHKQVYIHWFD-LBPRGKRZSA-N 0 3 282.771 2.579 20 30 CFEDHN C[C@H](C#N)OCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000801914418 630486168 /nfs/dbraw/zinc/48/61/68/630486168.db2.gz BYUPTRHSMPIINM-WBVHZDCISA-N 0 3 288.391 2.596 20 30 CFEDHN C[C@@H](C#N)OCCN(Cc1cccc(F)c1)C1CC1 ZINC000801913319 630486235 /nfs/dbraw/zinc/48/62/35/630486235.db2.gz SPWNEGXVFSMAAS-LBPRGKRZSA-N 0 3 262.328 2.719 20 30 CFEDHN CC[C@H]1c2ccsc2CCN1CCO[C@@H](C)C#N ZINC000801915538 630486897 /nfs/dbraw/zinc/48/68/97/630486897.db2.gz RRBYLNLZWOMVRV-AAEUAGOBSA-N 0 3 264.394 2.986 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000801918343 630487854 /nfs/dbraw/zinc/48/78/54/630487854.db2.gz JYDPYLWMIXVEOX-TZMCWYRMSA-N 0 3 262.328 2.544 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000801953854 630495346 /nfs/dbraw/zinc/49/53/46/630495346.db2.gz XPCZSEHKZKERGT-BBRMVZONSA-N 0 3 276.355 2.718 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(SC)c(OC)c1 ZINC000852751442 634824450 /nfs/dbraw/zinc/82/44/50/634824450.db2.gz CQNPJVCBIIDZAD-UHFFFAOYSA-N 0 3 293.432 2.889 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1CCC ZINC000804457333 630683511 /nfs/dbraw/zinc/68/35/11/630683511.db2.gz SPKYPAJSJFISIJ-ROUUACIJSA-N 0 3 298.430 2.612 20 30 CFEDHN C=CCN(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000113140144 635485723 /nfs/dbraw/zinc/48/57/23/635485723.db2.gz HXBCJTOLGVXZMY-UHFFFAOYSA-N 0 3 258.365 2.540 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1CN(C2CC2)C[C@H]1C ZINC000807989656 630932127 /nfs/dbraw/zinc/93/21/27/630932127.db2.gz MXRHWNJQBQCKPS-LLVKDONJSA-N 0 3 288.351 2.785 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](CO)C(C)C ZINC000808421418 630989542 /nfs/dbraw/zinc/98/95/42/630989542.db2.gz GRQVGISZZXXZGL-ZDUSSCGKSA-N 0 3 295.810 2.706 20 30 CFEDHN CC(C)(C)C#CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000837330472 631001252 /nfs/dbraw/zinc/00/12/52/631001252.db2.gz YAYAYBWTYOFAIN-QGZVFWFLSA-N 0 3 298.430 2.989 20 30 CFEDHN C#Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000809632454 631251686 /nfs/dbraw/zinc/25/16/86/631251686.db2.gz QAQJTJHTIFJLGQ-UHFFFAOYSA-N 0 3 266.300 2.866 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000809683472 631261348 /nfs/dbraw/zinc/26/13/48/631261348.db2.gz CLEDQRILUWBBQN-STQMWFEESA-N 0 3 261.365 2.984 20 30 CFEDHN C#C[C@@H](NCc1cn(-c2ccccc2)nc1C)C(C)C ZINC000809685360 631262361 /nfs/dbraw/zinc/26/23/61/631262361.db2.gz PIFBMVQLUKREPI-QGZVFWFLSA-N 0 3 267.376 2.928 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cccs2)C1 ZINC001010014165 651169665 /nfs/dbraw/zinc/16/96/65/651169665.db2.gz ZNZURNFOOBKXHO-GFCCVEGCSA-N 0 3 264.394 2.518 20 30 CFEDHN C#C[C@@H](NCc1ccc(C(=O)NC2CC2)cc1)C(C)(C)C ZINC000809781550 631287996 /nfs/dbraw/zinc/28/79/96/631287996.db2.gz VZKBVJVQDDKKIS-MRXNPFEDSA-N 0 3 284.403 2.716 20 30 CFEDHN C#C[C@H](NCc1c(C)cc(OC)nc1C)C(C)(C)C ZINC000809781217 631288229 /nfs/dbraw/zinc/28/82/29/631288229.db2.gz JOOKZGFXOXQEJM-AWEZNQCLSA-N 0 3 260.381 2.845 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1nn(CC)nc1C ZINC000840972090 631289675 /nfs/dbraw/zinc/28/96/75/631289675.db2.gz YEYOUTXLHKBRLH-INIZCTEOSA-N 0 3 284.407 2.883 20 30 CFEDHN C=CCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033434 631317416 /nfs/dbraw/zinc/31/74/16/631317416.db2.gz HFLKTHSVUMHWAM-CQSZACIVSA-N 0 3 266.385 2.696 20 30 CFEDHN N#Cc1csc(CNC2CCC3(CCOCC3)CC2)n1 ZINC000810147363 631334122 /nfs/dbraw/zinc/33/41/22/631334122.db2.gz CUASVNOJCDKUIC-UHFFFAOYSA-N 0 3 291.420 2.844 20 30 CFEDHN CC(C)(C)[S@](=O)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000810218604 631346542 /nfs/dbraw/zinc/34/65/42/631346542.db2.gz JWINHICMIZISJF-FOIQADDNSA-N 0 3 290.432 2.682 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NOC1CCOCC1 ZINC000841634955 631438778 /nfs/dbraw/zinc/43/87/78/631438778.db2.gz ZIPRDLQAWMWTNO-UHFFFAOYSA-N 0 3 262.353 2.591 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NN[C@@H]1CCOC1(C)C ZINC000841641789 631441448 /nfs/dbraw/zinc/44/14/48/631441448.db2.gz WIYFNEVFJVQAOY-OAHLLOKOSA-N 0 3 275.396 2.552 20 30 CFEDHN N#CC1(CONC(=N)COc2cc(F)cc(F)c2)CCC1 ZINC000842042602 631511189 /nfs/dbraw/zinc/51/11/89/631511189.db2.gz WYXAAKKSLIFEHW-UHFFFAOYSA-N 0 3 295.289 2.536 20 30 CFEDHN CC[C@H](O)CNN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000811656808 631596563 /nfs/dbraw/zinc/59/65/63/631596563.db2.gz WPRIJMBGLFTVMN-KRWDZBQOSA-N 0 3 289.423 2.761 20 30 CFEDHN c1ccc2c(c1)NCCCC2=NNC[C@H]1CCSC1 ZINC000811660824 631599112 /nfs/dbraw/zinc/59/91/12/631599112.db2.gz APLGGHCAEZSDOK-GFCCVEGCSA-N 0 3 275.421 2.939 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000811811471 631625475 /nfs/dbraw/zinc/62/54/75/631625475.db2.gz CHUMRKLNIWCCBF-RISCZKNCSA-N 0 3 283.375 2.798 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000155427155 650020796 /nfs/dbraw/zinc/02/07/96/650020796.db2.gz KRNBJHNIIYDFKS-WMLDXEAASA-N 0 3 288.391 2.978 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000812775055 631770554 /nfs/dbraw/zinc/77/05/54/631770554.db2.gz DQYOUPOIRJVMNV-LBPRGKRZSA-N 0 3 256.349 2.819 20 30 CFEDHN C#CCOc1ccccc1CN(CC)C[C@@H](C)OC ZINC000812808381 631786083 /nfs/dbraw/zinc/78/60/83/631786083.db2.gz VSLGACKASJHIBM-CQSZACIVSA-N 0 3 261.365 2.555 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849647 631796432 /nfs/dbraw/zinc/79/64/32/631796432.db2.gz QXCOZRRKOOWQGL-KSSFIOAISA-N 0 3 295.386 2.897 20 30 CFEDHN C=CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104133 631839691 /nfs/dbraw/zinc/83/96/91/631839691.db2.gz KJZSWIBXKLNUKY-TZMCWYRMSA-N 0 3 277.320 2.945 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cnc3ccc(C)cn23)C1 ZINC000843423333 631951947 /nfs/dbraw/zinc/95/19/47/631951947.db2.gz CISJJGVUCRGFEV-HNNXBMFYSA-N 0 3 267.376 2.878 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC000843423920 631953595 /nfs/dbraw/zinc/95/35/95/631953595.db2.gz LQIGBMRJHBQTPM-ZDUSSCGKSA-N 0 3 287.359 2.659 20 30 CFEDHN C#CC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000843429202 631956758 /nfs/dbraw/zinc/95/67/58/631956758.db2.gz XEIQIXWRGRQJGY-UHFFFAOYSA-N 0 3 271.360 2.693 20 30 CFEDHN CC(C)OCCNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814896739 632153235 /nfs/dbraw/zinc/15/32/35/632153235.db2.gz GMHMTTOEBQQQSA-GFCCVEGCSA-N 0 3 273.380 2.708 20 30 CFEDHN N#CCC[C@H](C#N)CNCCC[C@H]1CC1(Cl)Cl ZINC000844279298 632154441 /nfs/dbraw/zinc/15/44/41/632154441.db2.gz RZCKRCRPYGKHMT-MNOVXSKESA-N 0 3 274.195 2.994 20 30 CFEDHN Cn1nncc1[N-][NH+]=Cc1ccc(C2CCCC2)cc1 ZINC000814980108 632184135 /nfs/dbraw/zinc/18/41/35/632184135.db2.gz ZGACYLGPLSLJGB-UHFFFAOYSA-N 0 3 269.352 2.919 20 30 CFEDHN COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1F ZINC000815010221 632187626 /nfs/dbraw/zinc/18/76/26/632187626.db2.gz PXHQJIUOSUSLNV-WCQYABFASA-N 0 3 262.328 2.958 20 30 CFEDHN CC[C@H](NCCO[C@H](C)C#N)c1ccccc1F ZINC000844392213 632191634 /nfs/dbraw/zinc/19/16/34/632191634.db2.gz ARPAORLHKPMNMF-RISCZKNCSA-N 0 3 250.317 2.795 20 30 CFEDHN C=CCC(F)(F)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000815096886 632200697 /nfs/dbraw/zinc/20/06/97/632200697.db2.gz JQFPMWABABIWPQ-LBPRGKRZSA-N 0 3 288.382 2.825 20 30 CFEDHN CCc1ccc(C#CC(=O)NC[C@H]2CCCCN2CC)cc1 ZINC000815551992 632287670 /nfs/dbraw/zinc/28/76/70/632287670.db2.gz NLBJXLRIQGOFIG-GOSISDBHSA-N 0 3 298.430 2.591 20 30 CFEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@]1(C)CCCO1 ZINC000815595237 632294604 /nfs/dbraw/zinc/29/46/04/632294604.db2.gz LMBSBVYBKZEBGH-ABAIWWIYSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCC(F)(F)C(=O)NCCN1CCCC[C@H]1CC ZINC000815605822 632296662 /nfs/dbraw/zinc/29/66/62/632296662.db2.gz GSZHVECBUKXRQH-GFCCVEGCSA-N 0 3 274.355 2.579 20 30 CFEDHN C=CCc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(O)c(OC)c1 ZINC000844754758 632298921 /nfs/dbraw/zinc/29/89/21/632298921.db2.gz YTBFJFSJDFUCSA-BETUJISGSA-N 0 3 295.329 2.826 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1ccnc1 ZINC000845445051 632436424 /nfs/dbraw/zinc/43/64/24/632436424.db2.gz FUYWSPRKTANECS-NWDGAFQWSA-N 0 3 294.314 2.852 20 30 CFEDHN CCCCCCN(C)CC(=O)NCC1(C#N)CCCC1 ZINC000846343457 632692345 /nfs/dbraw/zinc/69/23/45/632692345.db2.gz HLJYUHCWERKQNV-UHFFFAOYSA-N 0 3 279.428 2.699 20 30 CFEDHN C=C[C@@H](C)ONC(=O)c1cccc(CN2CCCCC2)c1 ZINC000846555566 632741995 /nfs/dbraw/zinc/74/19/95/632741995.db2.gz WOESHWYJGPCTET-CQSZACIVSA-N 0 3 288.391 2.908 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000818346163 632835252 /nfs/dbraw/zinc/83/52/52/632835252.db2.gz AFOQUIBUKCTZGS-YDHLFZDLSA-N 0 3 259.349 2.560 20 30 CFEDHN CCN(Cc1ccc(C#N)cn1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000846913291 632843926 /nfs/dbraw/zinc/84/39/26/632843926.db2.gz RUFLFZXYBXBQGE-KSSFIOAISA-N 0 3 295.386 2.897 20 30 CFEDHN CC[C@@H](CC#N)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846984207 632867817 /nfs/dbraw/zinc/86/78/17/632867817.db2.gz ZFTHRJBFRNKHIM-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC000818603025 632877566 /nfs/dbraw/zinc/87/75/66/632877566.db2.gz LQDJZHZDCVKDEQ-UHFFFAOYSA-N 0 3 296.414 2.939 20 30 CFEDHN CCc1ccc([C@@H](O)CNCC#Cc2ccccc2)cc1 ZINC000818946070 632912251 /nfs/dbraw/zinc/91/22/51/632912251.db2.gz XLIOMIMYZMFHKU-IBGZPJMESA-N 0 3 279.383 2.924 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847624266 633011051 /nfs/dbraw/zinc/01/10/51/633011051.db2.gz NETZHIKKZCHABR-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)OC[C@@H](C)N1CCCCC1 ZINC000847964000 633172050 /nfs/dbraw/zinc/17/20/50/633172050.db2.gz VMPJFQKIYPTTQW-ZBFHGGJFSA-N 0 3 283.412 2.633 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cccc(C(C)(C)C)c1 ZINC000848142421 633209223 /nfs/dbraw/zinc/20/92/23/633209223.db2.gz IGGMLCXZXFGSEO-UHFFFAOYSA-N 0 3 286.419 2.669 20 30 CFEDHN C=C(CN(C)C)C(=O)OCc1ccc(OCCC)cc1C ZINC000848252974 633225000 /nfs/dbraw/zinc/22/50/00/633225000.db2.gz WMOWPTRXSXXBCI-UHFFFAOYSA-N 0 3 291.391 2.945 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000848392696 633247319 /nfs/dbraw/zinc/24/73/19/633247319.db2.gz BKIVAJZTSGQXBV-CQSZACIVSA-N 0 3 298.346 2.691 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)C1CCCCCCC1 ZINC000848398397 633248535 /nfs/dbraw/zinc/24/85/35/633248535.db2.gz HOWMEZLFYTVCQC-HNNXBMFYSA-N 0 3 279.428 2.969 20 30 CFEDHN CC(C)c1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000848919888 633403171 /nfs/dbraw/zinc/40/31/71/633403171.db2.gz USECLSKICLLSFR-INIZCTEOSA-N 0 3 258.365 2.660 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000848923941 633406534 /nfs/dbraw/zinc/40/65/34/633406534.db2.gz TUSCULCMYOCICK-CYBMUJFWSA-N 0 3 269.348 2.823 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000848924305 633407426 /nfs/dbraw/zinc/40/74/26/633407426.db2.gz PORAPMHJJSFILM-ZDUSSCGKSA-N 0 3 260.356 2.737 20 30 CFEDHN C#CCSCCNCc1cc(F)ccc1OC(F)F ZINC000850153836 633858425 /nfs/dbraw/zinc/85/84/25/633858425.db2.gz MTHHGPBRZHKGFK-UHFFFAOYSA-N 0 3 289.322 2.883 20 30 CFEDHN C[C@@H](N[C@@H]1CCCn2nccc21)c1ccc(OCC#N)cc1 ZINC000850443371 633995251 /nfs/dbraw/zinc/99/52/51/633995251.db2.gz QNKPOIFTQCPFRT-CZUORRHYSA-N 0 3 296.374 2.971 20 30 CFEDHN C=C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850571890 634057094 /nfs/dbraw/zinc/05/70/94/634057094.db2.gz DNRUTQWIIJKTRN-GXSJLCMTSA-N 0 3 255.745 2.552 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850738064 634068192 /nfs/dbraw/zinc/06/81/92/634068192.db2.gz CXUFYQHOKARDHH-MROQNXINSA-N 0 3 279.343 2.796 20 30 CFEDHN C[C@@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000850760738 634081286 /nfs/dbraw/zinc/08/12/86/634081286.db2.gz WLZFDWPTNAJUTL-VHSXEESVSA-N 0 3 289.722 2.537 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)c1 ZINC000850756696 634081719 /nfs/dbraw/zinc/08/17/19/634081719.db2.gz CYPZNXFVQOWYER-CQSZACIVSA-N 0 3 282.343 2.833 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)c1 ZINC000850757800 634081757 /nfs/dbraw/zinc/08/17/57/634081757.db2.gz QYJNOXBMOYCKEF-CQSZACIVSA-N 0 3 298.342 2.533 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)c1 ZINC000850757799 634081862 /nfs/dbraw/zinc/08/18/62/634081862.db2.gz QYJNOXBMOYCKEF-AWEZNQCLSA-N 0 3 298.342 2.533 20 30 CFEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000850757123 634081919 /nfs/dbraw/zinc/08/19/19/634081919.db2.gz WNRXQNVKVKWNEI-SKDRFNHKSA-N 0 3 289.722 2.537 20 30 CFEDHN Cc1cccc2[nH]c(C=NNCCN3CCCCC3)cc21 ZINC000853291222 634959791 /nfs/dbraw/zinc/95/97/91/634959791.db2.gz CBBGNVNEGCAPBB-UHFFFAOYSA-N 0 3 284.407 2.886 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)C#CC(C)C)N(C)C)cc1 ZINC000854305837 635283460 /nfs/dbraw/zinc/28/34/60/635283460.db2.gz VEUDWUJLQZSQIC-QGZVFWFLSA-N 0 3 286.419 2.627 20 30 CFEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C#CC(C)C ZINC000854515246 635322723 /nfs/dbraw/zinc/32/27/23/635322723.db2.gz QQMFMMFMFUVENY-SJLPKXTDSA-N 0 3 296.414 2.789 20 30 CFEDHN C#C[C@](C)(CC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000854700731 635373309 /nfs/dbraw/zinc/37/33/09/635373309.db2.gz GCOFTIVCBFPHPL-GOSISDBHSA-N 0 3 284.403 2.814 20 30 CFEDHN C#C[C@@](C)(CC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000854700732 635373497 /nfs/dbraw/zinc/37/34/97/635373497.db2.gz GCOFTIVCBFPHPL-SFHVURJKSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2CC=C)CC1 ZINC000855169937 635476227 /nfs/dbraw/zinc/47/62/27/635476227.db2.gz GZMSPUPTZWUDMK-DOTOQJQBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000113320399 635551883 /nfs/dbraw/zinc/55/18/83/635551883.db2.gz POUNLKSWLNMKPI-UHFFFAOYSA-N 0 3 276.339 2.860 20 30 CFEDHN C=C(Br)CNCc1cc(C)ccc1O ZINC000113336140 635553341 /nfs/dbraw/zinc/55/33/41/635553341.db2.gz HLOBLGPAXWVDMF-UHFFFAOYSA-N 0 3 256.143 2.699 20 30 CFEDHN Cc1cccc(F)c1CNC[C@H](O)CC(C)(C)C#N ZINC000857236084 635954647 /nfs/dbraw/zinc/95/46/47/635954647.db2.gz VRRYXOCMEVHADC-GFCCVEGCSA-N 0 3 264.344 2.525 20 30 CFEDHN C=CCOCCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050175 636119186 /nfs/dbraw/zinc/11/91/86/636119186.db2.gz DJTJKBDMZOODDI-INIZCTEOSA-N 0 3 288.391 2.615 20 30 CFEDHN Cc1ncccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000858274370 636174647 /nfs/dbraw/zinc/17/46/47/636174647.db2.gz ZTSSOUFPLSYCEZ-CYBMUJFWSA-N 0 3 281.359 2.971 20 30 CFEDHN N#Cc1ccccc1CSCCNc1ccnc(CO)c1 ZINC000858323141 636189931 /nfs/dbraw/zinc/18/99/31/636189931.db2.gz DOGOEHHNDXCILP-UHFFFAOYSA-N 0 3 299.399 2.791 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc2nc(C)sc2c1 ZINC000858335406 636195731 /nfs/dbraw/zinc/19/57/31/636195731.db2.gz TVPFQKQFNVYRNM-CYBMUJFWSA-N 0 3 274.389 2.733 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(OC(C)C)c(OC)c1 ZINC000858336203 636196919 /nfs/dbraw/zinc/19/69/19/636196919.db2.gz ZPLGARLFGGMTFW-OAHLLOKOSA-N 0 3 291.391 2.610 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(OC(C)C)c(OC)c1 ZINC000858336202 636197263 /nfs/dbraw/zinc/19/72/63/636197263.db2.gz ZPLGARLFGGMTFW-HNNXBMFYSA-N 0 3 291.391 2.610 20 30 CFEDHN C#CCCCN1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000859381720 636554521 /nfs/dbraw/zinc/55/45/21/636554521.db2.gz VIERQFOQEFYOAY-HNNXBMFYSA-N 0 3 251.370 2.596 20 30 CFEDHN CCC#C[C@H](C)N(C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860095837 636785635 /nfs/dbraw/zinc/78/56/35/636785635.db2.gz SSQNFBNXKDLNDA-OLZOCXBDSA-N 0 3 268.401 2.633 20 30 CFEDHN Cc1ccc(CO[C@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000860656318 636939305 /nfs/dbraw/zinc/93/93/05/636939305.db2.gz IAZAFFBFOBFDIY-HIFRSBDPSA-N 0 3 295.342 2.567 20 30 CFEDHN Cc1ccccc1CO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000860657641 636939343 /nfs/dbraw/zinc/93/93/43/636939343.db2.gz ZJDRDQHDLHCTGP-ZFWWWQNUSA-N 0 3 295.342 2.567 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2nn(CC)c3ccccc23)C1 ZINC000862444623 637384573 /nfs/dbraw/zinc/38/45/73/637384573.db2.gz DIWOGZFGJYOCIY-CQSZACIVSA-N 0 3 267.376 2.901 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC000862543295 637416649 /nfs/dbraw/zinc/41/66/49/637416649.db2.gz GFVAIEFOZCDJKX-HNNXBMFYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000862627707 637455269 /nfs/dbraw/zinc/45/52/69/637455269.db2.gz CVXMZLRPQBAPJM-CYBMUJFWSA-N 0 3 286.366 2.721 20 30 CFEDHN C#CCN1CCC(C(=O)NC2(C)CCC(C)(C)CC2)CC1 ZINC000862965511 637528626 /nfs/dbraw/zinc/52/86/26/637528626.db2.gz RECOOPRRROHTGW-UHFFFAOYSA-N 0 3 290.451 2.807 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1cnn(C2CCCC2)c1 ZINC000863159235 637572909 /nfs/dbraw/zinc/57/29/09/637572909.db2.gz IQCVFZBYKCFZND-UHFFFAOYSA-N 0 3 283.379 2.960 20 30 CFEDHN COc1ccc(C(C)=NNc2ccnc(C)c2)c(OC)c1 ZINC000863158722 637573280 /nfs/dbraw/zinc/57/32/80/637573280.db2.gz NJKRWTNLLKXZDC-UHFFFAOYSA-N 0 3 285.347 2.665 20 30 CFEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1nnnn1C1CC1 ZINC000189114929 650361823 /nfs/dbraw/zinc/36/18/23/650361823.db2.gz ZIIGKGQNNMSADG-NWDGAFQWSA-N 0 3 263.389 2.794 20 30 CFEDHN CC(C)N1CC[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865470488 638357755 /nfs/dbraw/zinc/35/77/55/638357755.db2.gz CCOVLERTLIDHHA-LLVKDONJSA-N 0 3 292.314 2.500 20 30 CFEDHN CC(C)(CC#N)CNCc1cnc(Cl)c(F)c1 ZINC000865599790 638451024 /nfs/dbraw/zinc/45/10/24/638451024.db2.gz SXOGVFLAMQQGQJ-UHFFFAOYSA-N 0 3 255.724 2.904 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCOCC2)c([O-])c1 ZINC000077552304 650431083 /nfs/dbraw/zinc/43/10/83/650431083.db2.gz PNEJBILKRIZMJC-SFQUDFHCSA-N 0 3 276.380 2.836 20 30 CFEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CCC2)o1 ZINC000865857456 638617751 /nfs/dbraw/zinc/61/77/51/638617751.db2.gz ROYFNDWCZJFMOJ-CQSZACIVSA-N 0 3 260.337 2.733 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CCN(C)C(C)(C)CC2)c1 ZINC000866113319 638743749 /nfs/dbraw/zinc/74/37/49/638743749.db2.gz ZVXJBWKCDNFZTN-UHFFFAOYSA-N 0 3 285.391 2.681 20 30 CFEDHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)CCCCC#N ZINC000867987292 638911252 /nfs/dbraw/zinc/91/12/52/638911252.db2.gz JVRARWQHBGNKER-HNNXBMFYSA-N 0 3 271.364 2.896 20 30 CFEDHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)c1coc(C#N)c1 ZINC000867988189 638911514 /nfs/dbraw/zinc/91/15/14/638911514.db2.gz WEXJQXJDVWVJLT-AWEZNQCLSA-N 0 3 281.315 2.590 20 30 CFEDHN COc1ccc(C2CC2)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000868045453 638918175 /nfs/dbraw/zinc/91/81/75/638918175.db2.gz BHAJAUKHZWHLBD-CQSZACIVSA-N 0 3 287.363 2.532 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2F)CC1 ZINC000868221228 638931072 /nfs/dbraw/zinc/93/10/72/638931072.db2.gz DLZMNTWDWOCUKD-LSDHHAIUSA-N 0 3 297.418 2.607 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCCC2CC2)CC1 ZINC000868284178 638934418 /nfs/dbraw/zinc/93/44/18/638934418.db2.gz QRTSPEYJTJTVCR-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(CF)cc2)CC1 ZINC001006460796 650519914 /nfs/dbraw/zinc/51/99/14/650519914.db2.gz PHSQZMUWZNXUNW-UHFFFAOYSA-N 0 3 290.382 2.879 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)c2ccco2)cc1 ZINC000078878681 650540384 /nfs/dbraw/zinc/54/03/84/650540384.db2.gz XJJGAMJRPPMICD-HNNXBMFYSA-N 0 3 273.332 2.668 20 30 CFEDHN C#CCN(C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000192234836 650550899 /nfs/dbraw/zinc/55/08/99/650550899.db2.gz DYVAOHOAQLNLCZ-HNNXBMFYSA-N 0 3 292.382 2.720 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872079172 641612653 /nfs/dbraw/zinc/61/26/53/641612653.db2.gz VWTLSYGATVHDHX-GHMZBOCLSA-N 0 3 253.317 2.509 20 30 CFEDHN CC(C)(C)c1ccc(CNC[C@H](O)CC2(C#N)CC2)o1 ZINC000872234684 641711603 /nfs/dbraw/zinc/71/16/03/641711603.db2.gz WUCSYTQRGHJEGT-GFCCVEGCSA-N 0 3 276.380 2.721 20 30 CFEDHN N#CCCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000872737161 641917424 /nfs/dbraw/zinc/91/74/24/641917424.db2.gz OHKZFNISWPOQQR-UHFFFAOYSA-N 0 3 295.386 2.577 20 30 CFEDHN CSC(C)(C)CNCc1cccc(F)c1C#N ZINC000873066608 642001981 /nfs/dbraw/zinc/00/19/81/642001981.db2.gz ZYGCPLMSQDQHDB-UHFFFAOYSA-N 0 3 252.358 2.929 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@H]1CCC12CCOCC2 ZINC000873148902 642031416 /nfs/dbraw/zinc/03/14/16/642031416.db2.gz JELOGDHPDJVXMK-CQSZACIVSA-N 0 3 288.366 2.994 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876512179 642899206 /nfs/dbraw/zinc/89/92/06/642899206.db2.gz HYJAXZMTDZYAEJ-MRXNPFEDSA-N 0 3 287.407 2.625 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(F)ccc1C ZINC000876547120 642915780 /nfs/dbraw/zinc/91/57/80/642915780.db2.gz INQGOLCBOKEQGV-JTQLQIEISA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCCCCC ZINC000876549015 642916399 /nfs/dbraw/zinc/91/63/99/642916399.db2.gz YEAXAKZRSRMSBL-VXGBXAGGSA-N 0 3 260.809 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000876575700 642930214 /nfs/dbraw/zinc/93/02/14/642930214.db2.gz PHVJZGTULALUFR-YPMHNXCESA-N 0 3 266.772 2.642 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(C)cc(C)cc1C ZINC000876586178 642934946 /nfs/dbraw/zinc/93/49/46/642934946.db2.gz GNAZMWOYTUNTLG-CQSZACIVSA-N 0 3 280.799 2.698 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000876592961 642937285 /nfs/dbraw/zinc/93/72/85/642937285.db2.gz VQNPLPKPPCHXCS-KBPBESRZSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(Cl)s1 ZINC000876605031 642941853 /nfs/dbraw/zinc/94/18/53/642941853.db2.gz PXJDAHHLWSZUBU-VIFPVBQESA-N 0 3 293.219 2.530 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccccc1C ZINC000876607893 642943069 /nfs/dbraw/zinc/94/30/69/642943069.db2.gz UBIPWJWFEADVDH-GXTWGEPZSA-N 0 3 280.799 2.512 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCC(CC)CC1 ZINC000876611836 642944838 /nfs/dbraw/zinc/94/48/38/642944838.db2.gz SYCHPOVBXFWCEA-BPCQOVAHSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C)CCC(C)CC1 ZINC000876637512 642953458 /nfs/dbraw/zinc/95/34/58/642953458.db2.gz XRPUKALZTFJBDL-QDYJBQRPSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]1CCCC ZINC000876642742 642955440 /nfs/dbraw/zinc/95/54/40/642955440.db2.gz LBIYWBZHGHWRTQ-AVGNSLFASA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CSC)cc1 ZINC000876641821 642955582 /nfs/dbraw/zinc/95/55/82/642955582.db2.gz UYAQCEFWEWAOQL-GFCCVEGCSA-N 0 3 284.812 2.958 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2c1cccc2C ZINC000876648957 642958155 /nfs/dbraw/zinc/95/81/55/642958155.db2.gz IAJXTFNGVMNJQG-KBPBESRZSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1cccs1 ZINC000876664255 642963401 /nfs/dbraw/zinc/96/34/01/642963401.db2.gz QQFQALWUOSWFQW-JTQLQIEISA-N 0 3 286.828 2.612 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000876665048 642963449 /nfs/dbraw/zinc/96/34/49/642963449.db2.gz MQRMLYYNNULNAZ-CHWSQXEVSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000876672918 642967130 /nfs/dbraw/zinc/96/71/30/642967130.db2.gz SDSIPSVEYZZKGK-UKRRQHHQSA-N 0 3 294.826 2.854 20 30 CFEDHN CCO[C@@H]1C[C@@H](NC[C@@H](C)C#N)C12CCCCC2 ZINC000087300622 650801410 /nfs/dbraw/zinc/80/14/10/650801410.db2.gz RLBXISSFRSJRGG-BFHYXJOUSA-N 0 3 250.386 2.864 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)cnc2Cl)C[C@@H]1C ZINC000876755745 642996048 /nfs/dbraw/zinc/99/60/48/642996048.db2.gz MKHZQPTXLCYWCL-NWDGAFQWSA-N 0 3 292.814 2.521 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000876874163 643043768 /nfs/dbraw/zinc/04/37/68/643043768.db2.gz BYQQGDLFYVNBIU-JTQLQIEISA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000876881748 643048431 /nfs/dbraw/zinc/04/84/31/643048431.db2.gz OCHZMJNIQNGOCH-KBPBESRZSA-N 0 3 292.810 2.995 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000876881749 643049086 /nfs/dbraw/zinc/04/90/86/643049086.db2.gz OCHZMJNIQNGOCH-KGLIPLIRSA-N 0 3 292.810 2.995 20 30 CFEDHN C#CCCCCCCNCc1nnc2n1CCCCC2 ZINC000876884966 643051429 /nfs/dbraw/zinc/05/14/29/643051429.db2.gz MTCUZEFBTABNIM-UHFFFAOYSA-N 0 3 274.412 2.678 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2F)CCC1 ZINC000876937383 643072102 /nfs/dbraw/zinc/07/21/02/643072102.db2.gz VKEVYMLMXYJOGU-CYBMUJFWSA-N 0 3 296.773 2.791 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000876935581 643072297 /nfs/dbraw/zinc/07/22/97/643072297.db2.gz CCDSVVXNEDTMGB-KGLIPLIRSA-N 0 3 284.831 2.931 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)nc1 ZINC000876948640 643076554 /nfs/dbraw/zinc/07/65/54/643076554.db2.gz URZRXPNSDFZEGK-GFCCVEGCSA-N 0 3 293.798 2.924 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000876966929 643085844 /nfs/dbraw/zinc/08/58/44/643085844.db2.gz ZRFVGXMZKORMSC-KGLIPLIRSA-N 0 3 284.831 2.885 20 30 CFEDHN C[C@H](COc1ccccc1)NCc1cccc(C#N)n1 ZINC000876977206 643090212 /nfs/dbraw/zinc/09/02/12/643090212.db2.gz WUQKUGSMANQLFY-CYBMUJFWSA-N 0 3 267.332 2.510 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000876982074 643091106 /nfs/dbraw/zinc/09/11/06/643091106.db2.gz UXPKVLZGPVEJMR-UGWHAMFMSA-N 0 3 290.794 2.604 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000877010505 643103337 /nfs/dbraw/zinc/10/33/37/643103337.db2.gz AUYVRWVNARPQFQ-OCCSQVGLSA-N 0 3 293.798 2.509 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)c1ccncc1 ZINC000877075285 643137634 /nfs/dbraw/zinc/13/76/34/643137634.db2.gz LPFPCKMOSGPRBC-LLVKDONJSA-N 0 3 286.766 2.895 20 30 CFEDHN CC[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCCO1 ZINC000877123980 643162832 /nfs/dbraw/zinc/16/28/32/643162832.db2.gz QMBDCTBQHWJHKC-QWHCGFSZSA-N 0 3 279.771 2.654 20 30 CFEDHN CC(C)[C@@H](O)C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877122812 643163252 /nfs/dbraw/zinc/16/32/52/643163252.db2.gz ACTMYMZGWWKXQA-CYBMUJFWSA-N 0 3 295.814 2.739 20 30 CFEDHN C#CCCCCCCN(CC)C[C@H](O)C(F)(F)F ZINC000877428680 643267392 /nfs/dbraw/zinc/26/73/92/643267392.db2.gz NGZDBHSILKMLQF-LBPRGKRZSA-N 0 3 265.319 2.815 20 30 CFEDHN CC(C)[C@@H](NCc1cccc(C#N)n1)[C@@H](O)c1ccccc1 ZINC000877488726 643303522 /nfs/dbraw/zinc/30/35/22/643303522.db2.gz HTNFMGOJAKBLTR-MSOLQXFVSA-N 0 3 295.386 2.801 20 30 CFEDHN CC(C)(C)OC(=O)NCC1(CNCC2(C#N)CC2)CCC1 ZINC000877494009 643307152 /nfs/dbraw/zinc/30/71/52/643307152.db2.gz KLGANRLUPMUOMX-UHFFFAOYSA-N 0 3 293.411 2.575 20 30 CFEDHN C#CCCCCCCN[C@H](c1nccn1C)C(C)(C)CO ZINC000877562445 643362138 /nfs/dbraw/zinc/36/21/38/643362138.db2.gz SPWXSBYOFXDLNJ-OAHLLOKOSA-N 0 3 291.439 2.653 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)cs2)C1 ZINC000877604978 643392190 /nfs/dbraw/zinc/39/21/90/643392190.db2.gz KHHHCFHEFIEWBG-LBPRGKRZSA-N 0 3 277.389 2.770 20 30 CFEDHN C#CC1CCN(Cc2c(OC)cccc2OC)CC1 ZINC000877607039 643394602 /nfs/dbraw/zinc/39/46/02/643394602.db2.gz UXEFKTHAEVXQOE-UHFFFAOYSA-N 0 3 259.349 2.549 20 30 CFEDHN CCOC(=O)[C@@]1(F)CN(C[C@H](C)CCC#N)CC12CCC2 ZINC000877622880 643409499 /nfs/dbraw/zinc/40/94/99/643409499.db2.gz VCYNOOIISPEWEG-CJNGLKHVSA-N 0 3 296.386 2.684 20 30 CFEDHN C#C[C@H](NCc1ccc(C(F)F)nc1)C1CCOCC1 ZINC000877637732 643422423 /nfs/dbraw/zinc/42/24/23/643422423.db2.gz LIGOTBSJILHFTM-ZDUSSCGKSA-N 0 3 280.318 2.537 20 30 CFEDHN C=C[C@H](CO)NCc1cc2nc(Cl)ccc2s1 ZINC000877639751 643423936 /nfs/dbraw/zinc/42/39/36/643423936.db2.gz DXLHFVORCZRCQH-MRVPVSSYSA-N 0 3 268.769 2.586 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(OC)c(O)cc2Cl)C1 ZINC000877650175 643432098 /nfs/dbraw/zinc/43/20/98/643432098.db2.gz GWDNWQNBIDPOJR-NSHDSACASA-N 0 3 279.767 2.899 20 30 CFEDHN CSC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877663336 643440485 /nfs/dbraw/zinc/44/04/85/643440485.db2.gz PKJPKGAMTBDEDH-UHFFFAOYSA-N 0 3 289.448 2.952 20 30 CFEDHN CC(=O)Nc1cccc2c1CN(C[C@H](C)CCC#N)CC2 ZINC000877680926 643450455 /nfs/dbraw/zinc/45/04/55/643450455.db2.gz BBJOBEQQEGXLDT-CYBMUJFWSA-N 0 3 285.391 2.943 20 30 CFEDHN N#Cc1cnc(Cl)c(CN2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877737845 643499200 /nfs/dbraw/zinc/49/92/00/643499200.db2.gz LIVSZWVZBKSYBX-AAEUAGOBSA-N 0 3 293.823 2.792 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000877797826 643564202 /nfs/dbraw/zinc/56/42/02/643564202.db2.gz ZZEYKCBSDSFRSD-LLVKDONJSA-N 0 3 264.394 2.603 20 30 CFEDHN C=CC[C@H](C)N(C)CC(=O)N(C)C1CCCCC1 ZINC000877968472 643669473 /nfs/dbraw/zinc/66/94/73/643669473.db2.gz MYPOPWJOOABXIH-ZDUSSCGKSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CC[C@@H](C)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000878112002 643742415 /nfs/dbraw/zinc/74/24/15/643742415.db2.gz WIXIUIAQIFNYHC-CYBMUJFWSA-N 0 3 279.815 2.817 20 30 CFEDHN C=CC[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000878252850 643809995 /nfs/dbraw/zinc/80/99/95/643809995.db2.gz WVWWDIWPUOTVCQ-DOTOQJQBSA-N 0 3 269.392 2.833 20 30 CFEDHN C#CCCCCCN1CCN(c2cncc(F)c2)CC1 ZINC000878314933 643834864 /nfs/dbraw/zinc/83/48/64/643834864.db2.gz AREVNLWCNVVUAA-UHFFFAOYSA-N 0 3 275.371 2.536 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCN(C)Cc1ccccc1 ZINC000878386187 643866947 /nfs/dbraw/zinc/86/69/47/643866947.db2.gz OVWRLHBCSMJLIJ-UHFFFAOYSA-N 0 3 274.408 2.837 20 30 CFEDHN C=CCN(C[C@@H]1CCC2(CCC2)O1)[C@H](C)COC ZINC000878890105 644063645 /nfs/dbraw/zinc/06/36/45/644063645.db2.gz TYRVCPCCMHFLOM-KGLIPLIRSA-N 0 3 253.386 2.611 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)nc1 ZINC000879241622 644186903 /nfs/dbraw/zinc/18/69/03/644186903.db2.gz AMJFHNGUMWKNLH-ROUUACIJSA-N 0 3 293.370 2.651 20 30 CFEDHN CCOC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000091677454 650905994 /nfs/dbraw/zinc/90/59/94/650905994.db2.gz MRBCRCRBFNAZNS-AWEZNQCLSA-N 0 3 288.391 2.978 20 30 CFEDHN C=CC[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462705 644280433 /nfs/dbraw/zinc/28/04/33/644280433.db2.gz VCOVWUIYYSCEGZ-CQSZACIVSA-N 0 3 290.407 2.790 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@H](OC)C2)cc1 ZINC000091772624 650908395 /nfs/dbraw/zinc/90/83/95/650908395.db2.gz NLQYFISURZZELG-KRWDZBQOSA-N 0 3 273.376 2.700 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]3CSC[C@@H]3C2)ccc1F ZINC000879558239 644318800 /nfs/dbraw/zinc/31/88/00/644318800.db2.gz HZYKTYQLCQISOL-JSGCOSHPSA-N 0 3 276.380 2.882 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879562683 644321871 /nfs/dbraw/zinc/32/18/71/644321871.db2.gz KBVKGFCGYOWNGP-DZGCQCFKSA-N 0 3 288.416 2.752 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000879562226 644322481 /nfs/dbraw/zinc/32/24/81/644322481.db2.gz CADIRZWLPFYLGS-GJZGRUSLSA-N 0 3 275.392 2.862 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H]2CSC[C@H]2C1 ZINC000879566186 644327691 /nfs/dbraw/zinc/32/76/91/644327691.db2.gz STKOOQRSDRLEPP-JKSUJKDBSA-N 0 3 257.402 2.723 20 30 CFEDHN C[C@@H]([NH2+]CCCSCC#N)c1ccccc1[O-] ZINC000879648410 644361733 /nfs/dbraw/zinc/36/17/33/644361733.db2.gz NRUUHBFPXDXCBN-LLVKDONJSA-N 0 3 250.367 2.690 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000879775357 644420196 /nfs/dbraw/zinc/42/01/96/644420196.db2.gz YDMCQWYDSXGHQC-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000092427875 650919610 /nfs/dbraw/zinc/91/96/10/650919610.db2.gz MLPFABPUQOVVMH-YOEHRIQHSA-N 0 3 288.391 2.978 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C(C)(C)O)C1 ZINC000879963924 644478058 /nfs/dbraw/zinc/47/80/58/644478058.db2.gz RCNBBMXVBDDWLF-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN Cc1csc([C@@H]2CCN(CC3(CC#N)CC3)C2)n1 ZINC000880012909 644502632 /nfs/dbraw/zinc/50/26/32/644502632.db2.gz ZOULXHWYLDEPCC-GFCCVEGCSA-N 0 3 261.394 2.935 20 30 CFEDHN CC[C@@H](NCc1cccc(F)c1C#N)[C@H]1CCCOC1 ZINC000880470522 644725837 /nfs/dbraw/zinc/72/58/37/644725837.db2.gz OHPJZCVFMXINPF-XJKSGUPXSA-N 0 3 276.355 2.992 20 30 CFEDHN C#CCC1(O)CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000880479815 644730690 /nfs/dbraw/zinc/73/06/90/644730690.db2.gz ZAEFEMTZVMPVHE-ZDUSSCGKSA-N 0 3 261.340 2.737 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc(Cl)cc2C)CC1 ZINC000880480992 644731201 /nfs/dbraw/zinc/73/12/01/644731201.db2.gz JZNUNFXLFMENSG-UHFFFAOYSA-N 0 3 277.795 2.999 20 30 CFEDHN C#CCC1(O)CCN(Cc2cccc(OCCC)c2)CC1 ZINC000880483461 644731970 /nfs/dbraw/zinc/73/19/70/644731970.db2.gz DINYMNNDWBJSLA-UHFFFAOYSA-N 0 3 287.403 2.826 20 30 CFEDHN CC(C)(C#N)CCCCN1CCc2ncncc2C1 ZINC000880599122 644784489 /nfs/dbraw/zinc/78/44/89/644784489.db2.gz FJTVDCHAQWKAEW-UHFFFAOYSA-N 0 3 258.369 2.555 20 30 CFEDHN CN1CCCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC000881123176 644910770 /nfs/dbraw/zinc/91/07/70/644910770.db2.gz UMNXLNWJVLNMNG-UHFFFAOYSA-N 0 3 298.390 2.605 20 30 CFEDHN Cc1ccc(N2CCN(C3CCCCC3)CC2)c(C#N)n1 ZINC000882102787 645203375 /nfs/dbraw/zinc/20/33/75/645203375.db2.gz UJMURTQNYMHCHQ-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CCN1CC[C@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000882960439 645530297 /nfs/dbraw/zinc/53/02/97/645530297.db2.gz JXIZDYHEQLTDEL-AWEZNQCLSA-N 0 3 266.348 2.613 20 30 CFEDHN C#CC[C@H](CO)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000883124139 645614642 /nfs/dbraw/zinc/61/46/42/645614642.db2.gz XIZQCYSZCJKTMM-SNVBAGLBSA-N 0 3 291.700 2.833 20 30 CFEDHN CC#CC[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000883157323 645630855 /nfs/dbraw/zinc/63/08/55/645630855.db2.gz VOFAHPJMOOUQKX-GOSISDBHSA-N 0 3 295.382 2.923 20 30 CFEDHN CC(C)c1c[nH]c(CNCCc2ccc(C#N)cc2)n1 ZINC000883165814 645634389 /nfs/dbraw/zinc/63/43/89/645634389.db2.gz MHDLLLRTVLRROJ-UHFFFAOYSA-N 0 3 268.364 2.737 20 30 CFEDHN C=CCC[C@H](NCc1ncccc1N(C)C)[C@@H]1CCCO1 ZINC000883223110 645673644 /nfs/dbraw/zinc/67/36/44/645673644.db2.gz IFPISZDHROCALA-YOEHRIQHSA-N 0 3 289.423 2.751 20 30 CFEDHN C=CCC[C@H](NCc1ncccc1N(C)C)[C@H]1CCCO1 ZINC000883223109 645673684 /nfs/dbraw/zinc/67/36/84/645673684.db2.gz IFPISZDHROCALA-WMLDXEAASA-N 0 3 289.423 2.751 20 30 CFEDHN C=CCC[C@@H](Cc1ccccc1)NCc1cn(CC)nn1 ZINC000883234721 645684006 /nfs/dbraw/zinc/68/40/06/645684006.db2.gz LGEJVKQHXWEHBE-INIZCTEOSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCC[C@H](NCC[C@H]1CCCS1(=O)=O)c1ccco1 ZINC000883308907 645730634 /nfs/dbraw/zinc/73/06/34/645730634.db2.gz ZTTXEHKFRLDEPC-KGLIPLIRSA-N 0 3 297.420 2.844 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@]2(C)CC2(C)C)CC1 ZINC000883342337 645752480 /nfs/dbraw/zinc/75/24/80/645752480.db2.gz SVNFTTPYCWKDMX-QGZVFWFLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(F)ccc1F ZINC000883389627 645787754 /nfs/dbraw/zinc/78/77/54/645787754.db2.gz UYOIWMZGIQOAPI-ZYHUDNBSSA-N 0 3 255.308 2.943 20 30 CFEDHN CCCCCCCC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000885861355 646761181 /nfs/dbraw/zinc/76/11/81/646761181.db2.gz SBCYSBJSIACQPJ-MRXNPFEDSA-N 0 3 296.455 2.716 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885967550 646788297 /nfs/dbraw/zinc/78/82/97/646788297.db2.gz RYIKREABHDSFHH-NVXWUHKLSA-N 0 3 273.351 2.688 20 30 CFEDHN Cc1[nH]nc(CNC(C)(C)c2cccc(C#N)c2)c1C ZINC000886158149 646900685 /nfs/dbraw/zinc/90/06/85/646900685.db2.gz SPPDQHOLPSBTHA-UHFFFAOYSA-N 0 3 268.364 2.923 20 30 CFEDHN N#Cc1ccc(N2CCN(CC[C@@H]3C[C@H]3C3CC3)CC2)cn1 ZINC000886179397 646910333 /nfs/dbraw/zinc/91/03/33/646910333.db2.gz UZTAXBSNSXVREG-QAPCUYQASA-N 0 3 296.418 2.511 20 30 CFEDHN C#CCN1CCC[C@@H](NCc2ccsc2Cl)C1 ZINC000886211701 646923722 /nfs/dbraw/zinc/92/37/22/646923722.db2.gz VMFGDMSVPOVBAZ-GFCCVEGCSA-N 0 3 268.813 2.589 20 30 CFEDHN C[C@]1(CNCc2nc(C#N)cs2)CCOC2(CCC2)C1 ZINC000886343195 646979324 /nfs/dbraw/zinc/97/93/24/646979324.db2.gz SCOAUDXAQXJSST-AWEZNQCLSA-N 0 3 291.420 2.844 20 30 CFEDHN C[C@@]1(CNCc2nc(C#N)cs2)CCOC2(CCC2)C1 ZINC000886343196 646979474 /nfs/dbraw/zinc/97/94/74/646979474.db2.gz SCOAUDXAQXJSST-CQSZACIVSA-N 0 3 291.420 2.844 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000886354098 646983372 /nfs/dbraw/zinc/98/33/72/646983372.db2.gz VXJZADYJYNDLST-LBPRGKRZSA-N 0 3 275.323 2.537 20 30 CFEDHN C#CC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000886361647 646987759 /nfs/dbraw/zinc/98/77/59/646987759.db2.gz QCXQTIAIAWKKPT-KXBFYZLASA-N 0 3 296.414 2.599 20 30 CFEDHN C#CCC1(NCc2cc(F)c(F)cc2F)CCOCC1 ZINC000886381493 646993126 /nfs/dbraw/zinc/99/31/26/646993126.db2.gz FNPQXZALPAMOPX-UHFFFAOYSA-N 0 3 283.293 2.766 20 30 CFEDHN CN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCC[C@H]1O ZINC000886475314 647012457 /nfs/dbraw/zinc/01/24/57/647012457.db2.gz OAWOHEYISAKQQO-ZIAGYGMSSA-N 0 3 294.782 2.588 20 30 CFEDHN C#CCN(C(=O)c1cccc(C(C)C)c1)C1CCN(C)CC1 ZINC000886573617 647051343 /nfs/dbraw/zinc/05/13/43/647051343.db2.gz OYRNXLOLBSWMDQ-UHFFFAOYSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCN(C(=O)[C@H]1CCCCC1(C)C)C1CCN(C)CC1 ZINC000886577500 647053252 /nfs/dbraw/zinc/05/32/52/647053252.db2.gz KTGPJQHTJXRTHC-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)C1CCC(C)(C)CC1)C1CCN(C)CC1 ZINC000886579870 647054026 /nfs/dbraw/zinc/05/40/26/647054026.db2.gz LKHJEZSGTJURGX-UHFFFAOYSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N[C@H](C)c2ccc(CC)o2)C1 ZINC000886661313 647094927 /nfs/dbraw/zinc/09/49/27/647094927.db2.gz RIBDSGDNILTTQO-KGLIPLIRSA-N 0 3 260.381 2.590 20 30 CFEDHN C=CCC[C@H]([NH2+]Cc1nnc(CSC)[n-]1)C1CC1 ZINC000886755813 647127726 /nfs/dbraw/zinc/12/77/26/647127726.db2.gz SNGHYBDVUOUFTD-NSHDSACASA-N 0 3 266.414 2.502 20 30 CFEDHN C=CCC1(O)CCN(CCCC(=O)OC(C)(C)C)CC1 ZINC000886776881 647133209 /nfs/dbraw/zinc/13/32/09/647133209.db2.gz RXBARTZHFRDAQD-UHFFFAOYSA-N 0 3 283.412 2.511 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886838232 647158492 /nfs/dbraw/zinc/15/84/92/647158492.db2.gz TXDIDQZYQJIDAT-CZUORRHYSA-N 0 3 274.339 2.698 20 30 CFEDHN CC[C@@H](NCC(=O)NCCC#N)c1cccc2ccccc21 ZINC000886917712 647174793 /nfs/dbraw/zinc/17/47/93/647174793.db2.gz ISJBIBPVQMOOTO-QGZVFWFLSA-N 0 3 295.386 2.910 20 30 CFEDHN N#CCCOCCN1Cc2ccccc2OC2(CCC2)C1 ZINC000887150072 647233081 /nfs/dbraw/zinc/23/30/81/647233081.db2.gz VXGWBWWXBIDUNI-UHFFFAOYSA-N 0 3 286.375 2.734 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccnn1CC1CCC1 ZINC000925631639 648250818 /nfs/dbraw/zinc/25/08/18/648250818.db2.gz IZOMNXYHBWRGBI-AWEZNQCLSA-N 0 3 277.412 2.927 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1nccc2Cl ZINC000926525755 648519353 /nfs/dbraw/zinc/51/93/53/648519353.db2.gz KVDVHGBCMTXXPJ-UPJWGTAASA-N 0 3 264.756 2.655 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnnn1-c1ccccc1 ZINC000926532106 648520599 /nfs/dbraw/zinc/52/05/99/648520599.db2.gz QPLTWSXDEQCSTH-LXZKKBNFSA-N 0 3 298.390 2.652 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cccc(Br)n1 ZINC000926544759 648526717 /nfs/dbraw/zinc/52/67/17/648526717.db2.gz FNKFZPGVIYDEKS-MNOVXSKESA-N 0 3 299.212 2.822 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCc2ccccc2NC1=O ZINC000926664622 648566925 /nfs/dbraw/zinc/56/69/25/648566925.db2.gz WLMQHKAPAHBUIG-IUODEOHRSA-N 0 3 285.391 2.858 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NC[C@@H](n1cccn1)C(F)(F)F ZINC000926748157 648600715 /nfs/dbraw/zinc/60/07/15/648600715.db2.gz UCWKLWZGXLYYIG-GHMZBOCLSA-N 0 3 288.317 2.904 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CCc1ccc([C@@H](C)NCCNc2ccc(C#N)cn2)o1 ZINC000927164010 648733258 /nfs/dbraw/zinc/73/32/58/648733258.db2.gz HDVFRVRNTVRVPO-GFCCVEGCSA-N 0 3 284.363 2.871 20 30 CFEDHN CCc1cccnc1[C@H](C)NCCNc1ccc(C#N)cn1 ZINC000927166432 648734383 /nfs/dbraw/zinc/73/43/83/648734383.db2.gz XYXTUHPJLOBNMU-ZDUSSCGKSA-N 0 3 295.390 2.673 20 30 CFEDHN CCC(=O)N1CCCN(CCCCC2(C#N)CCC2)CC1 ZINC000929318440 649030529 /nfs/dbraw/zinc/03/05/29/649030529.db2.gz IUGNEMFCCCVUMF-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN CCN(Cc1ccc2ccccc2c1)C[C@H](O)CC#N ZINC000929341302 649034756 /nfs/dbraw/zinc/03/47/56/649034756.db2.gz OZICNWHXAYYWSX-QGZVFWFLSA-N 0 3 268.360 2.936 20 30 CFEDHN CC(=O)NCCCCCN(CCC#N)CC(C)(C)C ZINC000929691698 649098837 /nfs/dbraw/zinc/09/88/37/649098837.db2.gz JGCCDPPZOVQXSX-UHFFFAOYSA-N 0 3 267.417 2.555 20 30 CFEDHN CO[C@]1(C)C[C@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929756337 649112721 /nfs/dbraw/zinc/11/27/21/649112721.db2.gz FANWHEAEQRDISA-GOEBONIOSA-N 0 3 273.380 2.589 20 30 CFEDHN 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CFEDHN C[C@@H]1C[C@@H]1[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930238046 649212262 /nfs/dbraw/zinc/21/22/62/649212262.db2.gz MBEATIIPRYNSIV-RABLLNBGSA-N 0 3 278.783 2.901 20 30 CFEDHN N#CC1CCC(CN2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000930264904 649217329 /nfs/dbraw/zinc/21/73/29/649217329.db2.gz UAKZTPFALCXPRV-PIMMBPRGSA-N 0 3 258.369 2.877 20 30 CFEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@@]2(CCOC2)O1 ZINC000930294275 649224033 /nfs/dbraw/zinc/22/40/33/649224033.db2.gz MPMVWAMKZJVZQT-DOTOQJQBSA-N 0 3 292.423 2.730 20 30 CFEDHN COC(=O)/C=C(/C)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000930763974 649322619 /nfs/dbraw/zinc/32/26/19/649322619.db2.gz IIIFTBDEQWBVSU-FSBNRTBOSA-N 0 3 272.348 2.670 20 30 CFEDHN C[C@H](CC#N)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930869250 649339803 /nfs/dbraw/zinc/33/98/03/649339803.db2.gz XFZGGAXIKBGKHH-UPJWGTAASA-N 0 3 281.400 2.572 20 30 CFEDHN CC(C)(C)OC(=O)N1CC(N(CCCCC#N)C2CC2)C1 ZINC000930870658 649340490 /nfs/dbraw/zinc/34/04/90/649340490.db2.gz PPNSGYUNKPSHCV-UHFFFAOYSA-N 0 3 293.411 2.764 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](CN1CCC[C@H](CC#N)C1)O2 ZINC000930923439 649350725 /nfs/dbraw/zinc/35/07/25/649350725.db2.gz PPDUVEPHOIVJAV-CJNGLKHVSA-N 0 3 286.375 2.624 20 30 CFEDHN Cc1cccc([C@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000930925328 649350767 /nfs/dbraw/zinc/35/07/67/649350767.db2.gz YCUUHICVBXZXSD-GOEBONIOSA-N 0 3 258.365 2.654 20 30 CFEDHN N#CC[C@@H]1CCCN(CCSc2ccncc2)C1 ZINC000930925749 649351628 /nfs/dbraw/zinc/35/16/28/649351628.db2.gz WFZDTIBUUKUTKZ-ZDUSSCGKSA-N 0 3 261.394 2.799 20 30 CFEDHN N#CC1CCC(CN[C@H](CO)c2ccc(F)cc2F)CC1 ZINC000931068020 649374542 /nfs/dbraw/zinc/37/45/42/649374542.db2.gz USEFUGCJIHNEKU-ZEPSKSRBSA-N 0 3 294.345 2.918 20 30 CFEDHN C#CCCCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931795801 649490814 /nfs/dbraw/zinc/49/08/14/649490814.db2.gz JFDXEOCTBHNUMH-KRWDZBQOSA-N 0 3 265.360 2.771 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(Br)cc1)C(C)C ZINC000932383661 649589867 /nfs/dbraw/zinc/58/98/67/649589867.db2.gz KGUKDGWLUVGYDJ-AWEZNQCLSA-N 0 3 296.208 2.826 20 30 CFEDHN C#CCN(Cc1ccc(C(=O)OC)c2cccnc12)C(C)C ZINC000932384724 649590167 /nfs/dbraw/zinc/59/01/67/649590167.db2.gz WFCOJNQMTKIWMN-UHFFFAOYSA-N 0 3 296.370 2.865 20 30 CFEDHN CC[C@H](NCCO[C@@H](C)C#N)c1cc(F)ccc1OC ZINC000932468294 649606381 /nfs/dbraw/zinc/60/63/81/649606381.db2.gz HMBHEMHVXXDUIN-FZMZJTMJSA-N 0 3 280.343 2.804 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC000932717430 649637656 /nfs/dbraw/zinc/63/76/56/649637656.db2.gz NBFRBDJTLXLCQU-ZOBORPQBSA-N 0 3 293.411 2.524 20 30 CFEDHN CCN(CCCCC(C)(C)C#N)C(C)(C)C(=O)OC ZINC000933193619 649678821 /nfs/dbraw/zinc/67/88/21/649678821.db2.gz QGVVIFNITVDMQH-UHFFFAOYSA-N 0 3 268.401 2.980 20 30 CFEDHN CCC1(CC)CNC(=O)[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000933286461 649685342 /nfs/dbraw/zinc/68/53/42/649685342.db2.gz BEXXSZKXFMLXLD-IUODEOHRSA-N 0 3 285.391 2.514 20 30 CFEDHN C#CCN(CCO[C@@H](C)C#N)[C@@H]1CCCc2ccccc21 ZINC000933417092 649692735 /nfs/dbraw/zinc/69/27/35/649692735.db2.gz FQWDIXMVATYMGC-MAUKXSAKSA-N 0 3 282.387 2.928 20 30 CFEDHN COC(=O)/C=C(\C)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607880 649705568 /nfs/dbraw/zinc/70/55/68/649705568.db2.gz TWYCTJVJHDZAIS-SDNWHVSQSA-N 0 3 298.386 2.857 20 30 CFEDHN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933653686 649710309 /nfs/dbraw/zinc/71/03/09/649710309.db2.gz HRYILIFGJYKDIA-UHFFFAOYSA-N 0 3 271.360 2.833 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933655405 649710877 /nfs/dbraw/zinc/71/08/77/649710877.db2.gz FVVADTFWKPPRHY-AEFFLSMTSA-N 0 3 285.387 2.864 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933658195 649711687 /nfs/dbraw/zinc/71/16/87/649711687.db2.gz YFFZMEFAPXOUPH-QAPCUYQASA-N 0 3 298.386 2.855 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCOC23CCCCC3)o1 ZINC000933876523 649728132 /nfs/dbraw/zinc/72/81/32/649728132.db2.gz MHBBABBTEREGOS-CQSZACIVSA-N 0 3 260.337 2.733 20 30 CFEDHN C#CCCCN(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415176 649785108 /nfs/dbraw/zinc/78/51/08/649785108.db2.gz LWQGROOIYFYEFQ-UHFFFAOYSA-N 0 3 253.349 2.922 20 30 CFEDHN C=CC[C@H]1CCN1CCC(=O)c1ccc2c(c1)OCCO2 ZINC000934463121 649787873 /nfs/dbraw/zinc/78/78/73/649787873.db2.gz GGERRTZCHPJGNQ-AWEZNQCLSA-N 0 3 287.359 2.681 20 30 CFEDHN C=CC[C@@H]1CCN1CCOc1ccc(C#N)cc1OC ZINC000934469873 649790296 /nfs/dbraw/zinc/79/02/96/649790296.db2.gz ZZWZYSHKBYDXQL-CQSZACIVSA-N 0 3 272.348 2.596 20 30 CFEDHN C[C@]12CSC[C@H]1CN(Cc1ccc(C#N)c(F)c1)C2 ZINC000934765695 649825691 /nfs/dbraw/zinc/82/56/91/649825691.db2.gz HIZOQUJTSBHOFV-HIFRSBDPSA-N 0 3 276.380 2.882 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007611780 651137074 /nfs/dbraw/zinc/13/70/74/651137074.db2.gz SZQHBBVVELNRHQ-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007611788 651137461 /nfs/dbraw/zinc/13/74/61/651137461.db2.gz SZQHBBVVELNRHQ-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001008317794 651146656 /nfs/dbraw/zinc/14/66/56/651146656.db2.gz SVPBAELVBWVPNE-LBPRGKRZSA-N 0 3 298.333 2.988 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001010748410 651178457 /nfs/dbraw/zinc/17/84/57/651178457.db2.gz NCSSMHRCEZQILY-HNNXBMFYSA-N 0 3 262.397 2.644 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014646528 651190197 /nfs/dbraw/zinc/19/01/97/651190197.db2.gz FESKCVWFEBOCSH-OAHLLOKOSA-N 0 3 284.403 2.637 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015359001 651199057 /nfs/dbraw/zinc/19/90/57/651199057.db2.gz ASNVNBQUAPZACM-LVQVYYBASA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015645207 651207053 /nfs/dbraw/zinc/20/70/53/651207053.db2.gz DWYKTSVQGPLZHE-OAHLLOKOSA-N 0 3 292.810 2.649 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015669877 651208583 /nfs/dbraw/zinc/20/85/83/651208583.db2.gz HCOPWRVHKJLEAX-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001015769688 651213239 /nfs/dbraw/zinc/21/32/39/651213239.db2.gz GKULETCDFHNZRO-DOTOQJQBSA-N 0 3 286.419 2.865 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015788535 651214478 /nfs/dbraw/zinc/21/44/78/651214478.db2.gz OJMGEKZHLMVHAP-LLVKDONJSA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001015971423 651219288 /nfs/dbraw/zinc/21/92/88/651219288.db2.gz ATPBQYMUYCPSNA-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001017348185 651250498 /nfs/dbraw/zinc/25/04/98/651250498.db2.gz WJYKKZPILUFBGS-OAGGEKHMSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001017647720 651255375 /nfs/dbraw/zinc/25/53/75/651255375.db2.gz WMEPTQUPHDWCJC-MJBXVCDLSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001017683886 651256275 /nfs/dbraw/zinc/25/62/75/651256275.db2.gz 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/nfs/dbraw/zinc/19/73/16/782197316.db2.gz SQAALGKTQWRGRG-CQSZACIVSA-N 0 3 287.407 2.615 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1COc2ccccc2C1 ZINC000328403851 777711640 /nfs/dbraw/zinc/71/16/40/777711640.db2.gz WKPAHGFUOXTKCA-KRWDZBQOSA-N 0 3 293.366 2.792 20 30 CFEDHN CC[C@@H]1CCN(Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233104332 777796588 /nfs/dbraw/zinc/79/65/88/777796588.db2.gz VRGIPYMZYNRZRK-GFCCVEGCSA-N 0 3 275.371 2.995 20 30 CFEDHN CCC[C@H](C)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001124588328 779694310 /nfs/dbraw/zinc/69/43/10/779694310.db2.gz RGRUOZXIXQXHNQ-LBPRGKRZSA-N 0 3 293.436 2.652 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001266245809 769823198 /nfs/dbraw/zinc/82/31/98/769823198.db2.gz GZPUAIQKTCRUOX-JKSUJKDBSA-N 0 3 278.440 2.663 20 30 CFEDHN CCCCCCC/C=C/CN1CC[C@H](O)[C@@H](CO)C1 ZINC001208120491 769855366 /nfs/dbraw/zinc/85/53/66/769855366.db2.gz QTHKADGOJVPMJL-USQNJUIBSA-N 0 3 269.429 2.578 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001039025698 769885241 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CC#CCN(C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001267113454 770913533 /nfs/dbraw/zinc/91/35/33/770913533.db2.gz LKLNKZXUXNAZIU-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127729484 770928613 /nfs/dbraw/zinc/92/86/13/770928613.db2.gz DCHRRWJGASZTAY-WCQYABFASA-N 0 3 258.321 2.689 20 30 CFEDHN CCCCCCCNC(=O)C1(N(C)C)CCCC1 ZINC001167580270 770932197 /nfs/dbraw/zinc/93/21/97/770932197.db2.gz GTHIMWLPGCUXEO-UHFFFAOYSA-N 0 3 254.418 2.947 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@H](c1ccccc1)C(C)C ZINC001267218878 773217733 /nfs/dbraw/zinc/21/77/33/773217733.db2.gz ILWNMRMRRMQXAJ-INIZCTEOSA-N 0 3 274.408 2.660 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC001267221626 773221303 /nfs/dbraw/zinc/22/13/03/773221303.db2.gz PSOGTZVTWSWHKG-UHFFFAOYSA-N 0 3 299.418 2.643 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001276949802 775110167 /nfs/dbraw/zinc/11/01/67/775110167.db2.gz NIJCEAKXPZGZIU-SJORKVTESA-N 0 3 298.430 2.873 20 30 CFEDHN N#Cc1cccc(N2CC3(C2)CCN(Cc2ccc[nH]2)C3)c1 ZINC001276953502 775120998 /nfs/dbraw/zinc/12/09/98/775120998.db2.gz MDNSPBWMMNILNY-UHFFFAOYSA-N 0 3 292.386 2.599 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)/C=C(/C)CC)C[C@H]1c1ccccc1 ZINC001211597211 775166569 /nfs/dbraw/zinc/16/65/69/775166569.db2.gz YOMDHZTXWPGVKC-ZJCZKGSNSA-N 0 3 296.414 2.560 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267306677 775182872 /nfs/dbraw/zinc/18/28/72/775182872.db2.gz KBBMYPAISSJFDE-HOTGVXAUSA-N 0 3 278.440 2.520 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001267309863 775185658 /nfs/dbraw/zinc/18/56/58/775185658.db2.gz OXJYEBKDQKHODX-MRXNPFEDSA-N 0 3 290.451 2.808 20 30 CFEDHN C#CCN(CCC)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001267318527 775198408 /nfs/dbraw/zinc/19/84/08/775198408.db2.gz MVIBGOBZZLQXIV-QAQDUYKDSA-N 0 3 292.467 2.910 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)c1ccc2c(c1)CCC2 ZINC001267320312 775199884 /nfs/dbraw/zinc/19/98/84/775199884.db2.gz FKZRFOLAKMLXNR-UHFFFAOYSA-N 0 3 298.430 2.640 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)c1cc(C)c(C)s1 ZINC001267319879 775200021 /nfs/dbraw/zinc/20/00/21/775200021.db2.gz SEMPVFMUGCLYBF-UHFFFAOYSA-N 0 3 292.448 2.830 20 30 CFEDHN C=C(C)CN(CCNC(=O)c1sccc1C)C1CC1 ZINC001267321887 775201115 /nfs/dbraw/zinc/20/11/15/775201115.db2.gz XJAWYHGEENYWAP-UHFFFAOYSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@H]1CCN1C(C)C)c1ccccc1 ZINC001276977966 775212179 /nfs/dbraw/zinc/21/21/79/775212179.db2.gz KABRAMRVVUYTAD-NVXWUHKLSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCN(CCNC(=O)C1(CC=C)CCCC1)C1CC1 ZINC001267338259 775223683 /nfs/dbraw/zinc/22/36/83/775223683.db2.gz HURSEODJBZIRQK-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCN2CC2CC2)CCCC1 ZINC001276986054 775229374 /nfs/dbraw/zinc/22/93/74/775229374.db2.gz PDLGPRDNDPDZFH-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C[C@@H](Cc1ccccn1)NCc1cc(C#N)ccc1F ZINC000694081502 775354505 /nfs/dbraw/zinc/35/45/05/775354505.db2.gz HDDYHHMCIFNBOQ-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001225162767 775357601 /nfs/dbraw/zinc/35/76/01/775357601.db2.gz MFWNSMSETJTZMK-OAHLLOKOSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CCN(CC#CC)[C@@H]2C1 ZINC001042185689 775374087 /nfs/dbraw/zinc/37/40/87/775374087.db2.gz WRYDLEWCTBOWJW-JKSUJKDBSA-N 0 3 288.435 2.535 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1 ZINC001225275205 775387738 /nfs/dbraw/zinc/38/77/38/775387738.db2.gz HJCNMKLXLCODEW-HZPDHXFCSA-N 0 3 287.407 2.565 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC001267518165 775411955 /nfs/dbraw/zinc/41/19/55/775411955.db2.gz UBYQMYZIZYZMMD-WMZOPIPTSA-N 0 3 296.414 2.813 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001267545788 775455324 /nfs/dbraw/zinc/45/53/24/775455324.db2.gz DUZWFFOVGFUWLE-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN CC(C)(C)C#CC(=O)NCC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001267557085 775465937 /nfs/dbraw/zinc/46/59/37/775465937.db2.gz YCWRMAHADURXEK-RXTQTKKPSA-N 0 3 296.842 2.617 20 30 CFEDHN C=C1CCC(C(=O)NCC[C@H]2CCN(CCF)C2)CC1 ZINC001267569874 775487897 /nfs/dbraw/zinc/48/78/97/775487897.db2.gz DQFNGRSFQGACBM-AWEZNQCLSA-N 0 3 282.403 2.531 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)NCc1cccnc1 ZINC001283665509 775499261 /nfs/dbraw/zinc/49/92/61/775499261.db2.gz KYFPKSYOOXELBW-HUUCEWRRSA-N 0 3 289.423 2.620 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001225611247 775521814 /nfs/dbraw/zinc/52/18/14/775521814.db2.gz MVIAZTMQNUVZAC-KRWDZBQOSA-N 0 3 292.467 2.910 20 30 CFEDHN N#Cc1ncccc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001225670845 775550538 /nfs/dbraw/zinc/55/05/38/775550538.db2.gz OOSMUCJXLBIUOT-INIZCTEOSA-N 0 3 293.370 2.997 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(F)F ZINC001025185616 775558536 /nfs/dbraw/zinc/55/85/36/775558536.db2.gz USAPHIDTHXBREB-CHWSQXEVSA-N 0 3 286.366 2.673 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025190881 775563868 /nfs/dbraw/zinc/56/38/68/775563868.db2.gz CEXCMFFASYFACU-JKSUJKDBSA-N 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775881589 /nfs/dbraw/zinc/88/15/89/775881589.db2.gz PIPPUKSZJALFPQ-HZPDHXFCSA-N 0 3 278.440 2.807 20 30 CFEDHN Cc1cc(C#N)cc(Cl)c1OC1CCN(C)CC1 ZINC001226599809 775886674 /nfs/dbraw/zinc/88/66/74/775886674.db2.gz OHUGMNAUZDSKKL-UHFFFAOYSA-N 0 3 264.756 2.993 20 30 CFEDHN N#Cc1cncc(O[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC001226685343 775920409 /nfs/dbraw/zinc/92/04/09/775920409.db2.gz YPYYAUXGGUHPCZ-QGZVFWFLSA-N 0 3 293.370 2.997 20 30 CFEDHN C=CCCCCCN1CC2(C[C@H]2C(=O)N2CCCCO2)C1 ZINC001277151707 775941022 /nfs/dbraw/zinc/94/10/22/775941022.db2.gz GXNGPCSYBJDBFT-HNNXBMFYSA-N 0 3 292.423 2.609 20 30 CFEDHN C=C(Cl)CNCC1(NC(=O)C#CC(C)(C)C)CCCC1 ZINC001267837026 775971686 /nfs/dbraw/zinc/97/16/86/775971686.db2.gz BGNYDNRCAWIBJU-UHFFFAOYSA-N 0 3 296.842 2.807 20 30 CFEDHN C=CCCCCCCN1CC2(C[C@H]2C(=O)N(C)C)C1 ZINC001277159858 775988476 /nfs/dbraw/zinc/98/84/76/775988476.db2.gz NVDZSEHCGLCGCR-AWEZNQCLSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@H](NCCF)C2)CCCC1 ZINC001222158525 776027317 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N#CCCOCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000339060602 777258484 /nfs/dbraw/zinc/25/84/84/777258484.db2.gz MYPGKDRZHPOFTH-UHFFFAOYSA-N 0 3 281.359 2.578 20 30 CFEDHN N#CCC1C[NH+](Cc2c([O-])ccc3ccccc32)C1 ZINC001231587856 777269894 /nfs/dbraw/zinc/26/98/94/777269894.db2.gz HEVCVFZGCLTORS-UHFFFAOYSA-N 0 3 252.317 2.891 20 30 CFEDHN COc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001231600851 777275531 /nfs/dbraw/zinc/27/55/31/777275531.db2.gz YBPGWCMAEGEELZ-CQSZACIVSA-N 0 3 293.363 2.608 20 30 CFEDHN C=CCOc1cccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001231621647 777281626 /nfs/dbraw/zinc/28/16/26/777281626.db2.gz GLBNOOFXUFKWJN-GASCZTMLSA-N 0 3 271.360 2.947 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001231621078 777282568 /nfs/dbraw/zinc/28/25/68/777282568.db2.gz OEFMOEXERMLBHK-CVEARBPZSA-N 0 3 279.355 2.546 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](O)C[C@H]2C)c1 ZINC001231625592 777283413 /nfs/dbraw/zinc/28/34/13/777283413.db2.gz WODODZLPZXPTCY-HIFRSBDPSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](CC(=O)OC)C2)c1 ZINC001231624583 777284449 /nfs/dbraw/zinc/28/44/49/777284449.db2.gz QPYVWZJBCYEEON-OAHLLOKOSA-N 0 3 289.375 2.636 20 30 CFEDHN C#Cc1cccc(CN2CCC(NC(=O)C(C)(C)C)CC2)c1 ZINC001231660848 777297815 /nfs/dbraw/zinc/29/78/15/777297815.db2.gz KELWWSAYZDWCCO-UHFFFAOYSA-N 0 3 298.430 2.795 20 30 CFEDHN C#Cc1cccc(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC001231660808 777298144 /nfs/dbraw/zinc/29/81/44/777298144.db2.gz JNKNFTCUVQURLE-KRWDZBQOSA-N 0 3 278.355 2.716 20 30 CFEDHN C#Cc1cccc(CN2CCC(c3ncccn3)CC2)c1 ZINC001231663370 777299219 /nfs/dbraw/zinc/29/92/19/777299219.db2.gz QXHOOPNBMLFIAF-UHFFFAOYSA-N 0 3 277.371 2.838 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCC1CCN(CCF)CC1 ZINC001270144127 777319760 /nfs/dbraw/zinc/31/97/60/777319760.db2.gz LEXBSDKRGACNBI-UHFFFAOYSA-N 0 3 284.419 2.777 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001075736431 777327120 /nfs/dbraw/zinc/32/71/20/777327120.db2.gz OMBPAFGSCNLRSM-WCQYABFASA-N 0 3 294.782 2.655 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854812 777351974 /nfs/dbraw/zinc/35/19/74/777351974.db2.gz MCZJGJPXDSTLPP-CQSZACIVSA-N 0 3 272.392 2.606 20 30 CFEDHN C#CCN(C(=O)C/C=C(\C)C=C)C1CCN(CC=C)CC1 ZINC001270331681 777357387 /nfs/dbraw/zinc/35/73/87/777357387.db2.gz LTQMBRMYQMIICO-LZYBPNLTSA-N 0 3 286.419 2.621 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029009997 777377343 /nfs/dbraw/zinc/37/73/43/777377343.db2.gz XVWXLBOMZDNPSZ-HNNXBMFYSA-N 0 3 296.414 2.639 20 30 CFEDHN N#Cc1ccc2c(c1)CN(Cc1cc3c[nH]ccc-3n1)CC2 ZINC001232012150 777411290 /nfs/dbraw/zinc/41/12/90/777411290.db2.gz UBGVFDABNDPOGW-UHFFFAOYSA-N 0 3 288.354 2.993 20 30 CFEDHN N#Cc1ccc2c(c1)CN(Cc1cc3cnccc3[nH]1)CC2 ZINC001232012150 777411291 /nfs/dbraw/zinc/41/12/91/777411291.db2.gz UBGVFDABNDPOGW-UHFFFAOYSA-N 0 3 288.354 2.993 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001270649410 777441795 /nfs/dbraw/zinc/44/17/95/777441795.db2.gz NEMKODCLNDHVIQ-OAHLLOKOSA-N 0 3 252.402 2.723 20 30 CFEDHN C#CC1CCN(Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232134268 777448344 /nfs/dbraw/zinc/44/83/44/777448344.db2.gz DKCNGISINWUVRW-UHFFFAOYSA-N 0 3 267.332 2.582 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccccc2F)[C@H]1CC ZINC001087487759 777498448 /nfs/dbraw/zinc/49/84/48/777498448.db2.gz VJLSPGAQOANLSR-LSDHHAIUSA-N 0 3 276.355 2.594 20 30 CFEDHN CCOc1ccc(CN2CCC(CC#N)CC2)c(C)n1 ZINC001232312412 777517088 /nfs/dbraw/zinc/51/70/88/777517088.db2.gz DQQQPWJADBRRCM-UHFFFAOYSA-N 0 3 273.380 2.914 20 30 CFEDHN C#CC1CCN(Cc2cnc(SC)cc2C)CC1 ZINC001232350524 777532804 /nfs/dbraw/zinc/53/28/04/777532804.db2.gz UQAUJIMDPKSDRT-UHFFFAOYSA-N 0 3 260.406 2.957 20 30 CFEDHN C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001087506914 777564299 /nfs/dbraw/zinc/56/42/99/777564299.db2.gz UKWYFZNYTHZKHI-LSDHHAIUSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001087506914 777564306 /nfs/dbraw/zinc/56/43/06/777564306.db2.gz UKWYFZNYTHZKHI-LSDHHAIUSA-N 0 3 288.391 2.551 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(CCOCCC#N)[C@@H]2C ZINC000339080771 777583632 /nfs/dbraw/zinc/58/36/32/777583632.db2.gz NGABIOCJVHPLHK-UONOGXRCSA-N 0 3 288.391 2.933 20 30 CFEDHN O=C1C=C2CN(Cc3cc4ccoc4cn3)CCC2S1 ZINC001232552911 777600590 /nfs/dbraw/zinc/60/05/90/777600590.db2.gz UHGCTMUQIUVHNQ-AWEZNQCLSA-N 0 3 286.356 2.602 20 30 CFEDHN C=CCN1CCC[C@@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001270982307 777619852 /nfs/dbraw/zinc/61/98/52/777619852.db2.gz HQGWLUKQFLXYLX-KCPLEYNQSA-N 0 3 276.424 2.913 20 30 CFEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001270990946 777622371 /nfs/dbraw/zinc/62/23/71/777622371.db2.gz HIYCZIMYVQSFMT-KRWDZBQOSA-N 0 3 290.451 2.808 20 30 CFEDHN C=CCN1CCN(Cc2cccc3c2CCCC3)CC1 ZINC001232637465 777626873 /nfs/dbraw/zinc/62/68/73/777626873.db2.gz TVZXCUYMHQXDHD-UHFFFAOYSA-N 0 3 270.420 2.869 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1CC ZINC001087558353 777653284 /nfs/dbraw/zinc/65/32/84/777653284.db2.gz CWWCFILLUNHJNV-UONOGXRCSA-N 0 3 276.380 2.611 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561431 777656211 /nfs/dbraw/zinc/65/62/11/777656211.db2.gz UYQSQGIUUDCEPV-UONOGXRCSA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1CC ZINC001087623040 777669259 /nfs/dbraw/zinc/66/92/59/777669259.db2.gz OKRGNTWRILTZCR-QLFBSQMISA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@H]1CC ZINC001087648104 777671907 /nfs/dbraw/zinc/67/19/07/777671907.db2.gz WSSXCNDERXGXMW-JKSUJKDBSA-N 0 3 290.382 2.903 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1CC ZINC001087688581 777678986 /nfs/dbraw/zinc/67/89/86/777678986.db2.gz MVPIMTFSLAJIQV-YESZJQIVSA-N 0 3 288.435 2.725 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1CC ZINC001087717416 777685739 /nfs/dbraw/zinc/68/57/39/777685739.db2.gz CQNWBGSRHINNEL-MPTYRVRUSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1CC ZINC001087779325 777696410 /nfs/dbraw/zinc/69/64/10/777696410.db2.gz YCGNQAAZAMYGKI-JKSUJKDBSA-N 0 3 287.407 2.661 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1CC ZINC001087785801 777699149 /nfs/dbraw/zinc/69/91/49/777699149.db2.gz WZOXVZMAVJLRFE-SOUVJXGZSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1CC ZINC001087824593 777710237 /nfs/dbraw/zinc/71/02/37/777710237.db2.gz MNIGSUHQEYBPKP-ZWKOTPCHSA-N 0 3 298.430 2.944 20 30 CFEDHN CN(CC/C=C/c1cccnc1)Cc1cccc(C#N)n1 ZINC001232926567 777723168 /nfs/dbraw/zinc/72/31/68/777723168.db2.gz TZXCKFKSXMBQEC-QHHAFSJGSA-N 0 3 278.359 2.884 20 30 CFEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(C#N)c1 ZINC001232963273 777741202 /nfs/dbraw/zinc/74/12/02/777741202.db2.gz DAZBRDZVQLVFDN-OAHLLOKOSA-N 0 3 284.384 2.641 20 30 CFEDHN C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)CC1 ZINC001029453349 777741969 /nfs/dbraw/zinc/74/19/69/777741969.db2.gz SHFVKUIYQWNLQT-IYBDPMFKSA-N 0 3 276.424 2.816 20 30 CFEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001040053665 777771837 /nfs/dbraw/zinc/77/18/37/777771837.db2.gz SJVPXRAEXBLZQH-GOSISDBHSA-N 0 3 288.435 2.514 20 30 CFEDHN CSc1nc(CN2C[C@@H]3CCC[C@H]3C2)ccc1C#N ZINC001141929055 777791357 /nfs/dbraw/zinc/79/13/57/777791357.db2.gz JPURBEVPBIDJAU-STQMWFEESA-N 0 3 273.405 2.907 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001233080465 777791751 /nfs/dbraw/zinc/79/17/51/777791751.db2.gz YYDWCQHCAFYGCX-DOTOQJQBSA-N 0 3 270.376 2.868 20 30 CFEDHN C=CCN[C@H](CNC(=O)[C@H]1CC12CC2)c1ccccc1CC ZINC001271446372 777858557 /nfs/dbraw/zinc/85/85/57/777858557.db2.gz LCOJGALFFOSCFB-IAGOWNOFSA-N 0 3 298.430 2.982 20 30 CFEDHN C=CC[NH2+][C@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001088267613 777952693 /nfs/dbraw/zinc/95/26/93/777952693.db2.gz YIYADDXTKGGSSN-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001088267614 777953076 /nfs/dbraw/zinc/95/30/76/777953076.db2.gz YIYADDXTKGGSSN-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN CN1CCC[C@H](Oc2ccccc2C(=O)CC#N)CC1 ZINC001233523399 777978015 /nfs/dbraw/zinc/97/80/15/777978015.db2.gz ZSKPYSGEWJARML-ZDUSSCGKSA-N 0 3 272.348 2.646 20 30 CFEDHN CCN1CCC[C@@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233525112 777978129 /nfs/dbraw/zinc/97/81/29/777978129.db2.gz INLYVHCSIXWZOM-OAHLLOKOSA-N 0 3 272.348 2.646 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088374410 778036820 /nfs/dbraw/zinc/03/68/20/778036820.db2.gz GQYQSKOZCKYPAK-GOEBONIOSA-N 0 3 284.419 2.919 20 30 CFEDHN C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001277803855 778059920 /nfs/dbraw/zinc/05/99/20/778059920.db2.gz BHUQESCKNJFQAR-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C\CC ZINC001233947643 778118777 /nfs/dbraw/zinc/11/87/77/778118777.db2.gz NKVYLIICYHRLCC-IOBAAEILSA-N 0 3 276.424 2.679 20 30 CFEDHN CCC/C=C\CCN1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234159407 778178368 /nfs/dbraw/zinc/17/83/68/778178368.db2.gz AMHSYCBOUGZIRW-QWPQOLDESA-N 0 3 290.451 2.925 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H]1C ZINC001088508156 778181874 /nfs/dbraw/zinc/18/18/74/778181874.db2.gz QOGBPHWATARBDH-OWYFMNJBSA-N 0 3 276.424 2.578 20 30 CFEDHN C=C/C(C)=C/CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CC ZINC001272032843 778185982 /nfs/dbraw/zinc/18/59/82/778185982.db2.gz FPGUNDYPWYOVMI-PETGEZQVSA-N 0 3 286.419 2.597 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517437 778194901 /nfs/dbraw/zinc/19/49/01/778194901.db2.gz MQBHGIDIBJPTDS-HIFRSBDPSA-N 0 3 262.397 2.642 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001272067652 778250100 /nfs/dbraw/zinc/25/01/00/778250100.db2.gz LUPZZACVZJVXRG-UHFFFAOYSA-N 0 3 280.799 2.838 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234553989 778250846 /nfs/dbraw/zinc/25/08/46/778250846.db2.gz CANQAKMLCFHYFP-ZDUSSCGKSA-N 0 3 284.831 2.874 20 30 CFEDHN C=CCOC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001168221705 778255441 /nfs/dbraw/zinc/25/54/41/778255441.db2.gz LYQZGPLMRIKEGB-UHFFFAOYSA-N 0 3 266.385 2.505 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565213 778263580 /nfs/dbraw/zinc/26/35/80/778263580.db2.gz HDRFMTFKSIPDNL-PMPSAXMXSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565240 778263994 /nfs/dbraw/zinc/26/39/94/778263994.db2.gz IJRSNQNQHNWLTH-ILXRZTDVSA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCOC(C)C ZINC001234624306 778268627 /nfs/dbraw/zinc/26/86/27/778268627.db2.gz AUCLBUYRUJVYLU-MRXNPFEDSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CN(CC/C=C/CCC)C[C@H]1OC ZINC001211999763 778321082 /nfs/dbraw/zinc/32/10/82/778321082.db2.gz WXRXZKDPLYEXAK-GUFYHEMZSA-N 0 3 294.439 2.514 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088611350 778340259 /nfs/dbraw/zinc/34/02/59/778340259.db2.gz LRHXDAJLIZSJDD-AGIUHOORSA-N 0 3 286.366 2.577 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CC(C)(C)C(F)(F)F ZINC001272165333 778365099 /nfs/dbraw/zinc/36/50/99/778365099.db2.gz VFGPQTYYTPYUIP-UHFFFAOYSA-N 0 3 294.361 2.931 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1C ZINC001088623421 778369091 /nfs/dbraw/zinc/36/90/91/778369091.db2.gz YYYXQNYSGIBKAR-ABAIWWIYSA-N 0 3 294.345 2.734 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)sc2C)[C@H]1C ZINC001088654025 778377483 /nfs/dbraw/zinc/37/74/83/778377483.db2.gz UOGDLNUBUXVDNQ-MFKMUULPSA-N 0 3 293.436 2.529 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCC(=C)C)CCC1 ZINC001235210697 778416227 /nfs/dbraw/zinc/41/62/27/778416227.db2.gz VAVWQMRSULJKNP-MRXNPFEDSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCCC=C)CCC1 ZINC001235223263 778420503 /nfs/dbraw/zinc/42/05/03/778420503.db2.gz AXXVPDFEGUBGAN-INIZCTEOSA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn3ccccc23)[C@H]1C ZINC001088735028 778461584 /nfs/dbraw/zinc/46/15/84/778461584.db2.gz RURIFXMJZJSCSJ-ZBFHGGJFSA-N 0 3 297.402 2.708 20 30 CFEDHN COC(=O)C1(C)CCN(Cc2ccccc2CC#N)CC1 ZINC001235523991 778511311 /nfs/dbraw/zinc/51/13/11/778511311.db2.gz XQNBQDRHPPKORK-UHFFFAOYSA-N 0 3 286.375 2.528 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCC3(F)F)[C@@H]2C1 ZINC001076085751 778564092 /nfs/dbraw/zinc/56/40/92/778564092.db2.gz ANWFRYBNDPCWFX-MELADBBJSA-N 0 3 298.377 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001076532937 778593779 /nfs/dbraw/zinc/59/37/79/778593779.db2.gz IXVQFZCZTRSHCJ-RYQLBKOJSA-N 0 3 298.430 2.899 20 30 CFEDHN CN(C)Cc1cccc(-c2ccc(F)c(C#N)c2)n1 ZINC001235894354 778595068 /nfs/dbraw/zinc/59/50/68/778595068.db2.gz VZRHTBWWYRYKFM-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN N#CCCCCCO[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001224689349 778626486 /nfs/dbraw/zinc/62/64/86/778626486.db2.gz BNLROLRGUPGLIP-WKILWMFISA-N 0 3 280.412 2.730 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc2ccccc2c1 ZINC001277995768 778908201 /nfs/dbraw/zinc/90/82/01/778908201.db2.gz VHEDAQHXNUTJEL-OAHLLOKOSA-N 0 3 294.398 2.913 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001278001577 778921812 /nfs/dbraw/zinc/92/18/12/778921812.db2.gz BLQBWMWCCXTGOM-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1C ZINC001088882341 778934311 /nfs/dbraw/zinc/93/43/11/778934311.db2.gz KWNSLFKUWJQIDE-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001236812041 778947995 /nfs/dbraw/zinc/94/79/95/778947995.db2.gz YKQJUYPVPMKQDC-ZSOGYDGISA-N 0 3 286.375 2.976 20 30 CFEDHN COc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c([O-])c1 ZINC001236812041 778947999 /nfs/dbraw/zinc/94/79/99/778947999.db2.gz YKQJUYPVPMKQDC-ZSOGYDGISA-N 0 3 286.375 2.976 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]1C ZINC001088985478 778966415 /nfs/dbraw/zinc/96/64/15/778966415.db2.gz AJFFVVMJSBKPKT-UXLLHSPISA-N 0 3 286.419 2.945 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1C ZINC001089024434 778976883 /nfs/dbraw/zinc/97/68/83/778976883.db2.gz CLEMZYFATKPKMZ-SJORKVTESA-N 0 3 298.430 2.828 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001278024921 778977511 /nfs/dbraw/zinc/97/75/11/778977511.db2.gz JTGXLCJGWZUDNX-HNNXBMFYSA-N 0 3 298.430 2.557 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001278026630 778981078 /nfs/dbraw/zinc/98/10/78/778981078.db2.gz YIDXTXUPWMQVIG-CQSZACIVSA-N 0 3 298.386 2.815 20 30 CFEDHN C#CCN(C)CCCN(C)C(=O)C[C@H](C=C)c1ccccc1 ZINC001280884060 779036746 /nfs/dbraw/zinc/03/67/46/779036746.db2.gz UGQHLYQGYFPAJB-KRWDZBQOSA-N 0 3 298.430 2.760 20 30 CFEDHN N#CCCCCNc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001168433395 779043409 /nfs/dbraw/zinc/04/34/09/779043409.db2.gz ATEFGNYEILJGID-INIZCTEOSA-N 0 3 298.390 2.706 20 30 CFEDHN N#CC1(c2ccccc2F)CCN(CCCCCO)CC1 ZINC001237228835 779056281 /nfs/dbraw/zinc/05/62/81/779056281.db2.gz BIIOZKADYRCYQB-UHFFFAOYSA-N 0 3 290.382 2.845 20 30 CFEDHN C=C(C)[C@@H]1CC=C(CN2CC3(C[C@H]3C(=O)N(C)C)C2)CC1 ZINC001278073357 779061383 /nfs/dbraw/zinc/06/13/83/779061383.db2.gz WYDVMKSLMWUTGK-CVEARBPZSA-N 0 3 288.435 2.699 20 30 CFEDHN C[C@@H]1COCCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466995 779114801 /nfs/dbraw/zinc/11/48/01/779114801.db2.gz QGDOHGHKQGROMM-ZDUSSCGKSA-N 0 3 283.375 2.518 20 30 CFEDHN COc1ccc(CCN(C)Cc2ccnc(C#N)c2)cc1 ZINC001237470152 779115970 /nfs/dbraw/zinc/11/59/70/779115970.db2.gz NHICPNRACNMJSZ-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN CN(Cc1cc(C#N)c(F)cc1F)CC1CCOCC1 ZINC001237524833 779126936 /nfs/dbraw/zinc/12/69/36/779126936.db2.gz MTNFLUOPDGITHB-UHFFFAOYSA-N 0 3 280.318 2.695 20 30 CFEDHN CC1(C)CCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237608078 779141623 /nfs/dbraw/zinc/14/16/23/779141623.db2.gz DOAPSLNCHUYYRC-UHFFFAOYSA-N 0 3 254.337 2.580 20 30 CFEDHN C#C[C@@H](Oc1c(F)cc(CN(C)C)cc1OC)C(C)C ZINC001234240818 779171377 /nfs/dbraw/zinc/17/13/77/779171377.db2.gz LRCDXIUCSGEMLV-CQSZACIVSA-N 0 3 279.355 2.933 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2cccc3c2OCC3)CC1 ZINC001237750169 779174202 /nfs/dbraw/zinc/17/42/02/779174202.db2.gz YJYNAWBKAOTBJB-CYBMUJFWSA-N 0 3 256.349 2.747 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccs1 ZINC001272629239 779355580 /nfs/dbraw/zinc/35/55/80/779355580.db2.gz OKGWKPFAWFAXKS-SNVBAGLBSA-N 0 3 272.801 2.599 20 30 CFEDHN CCc1cc(CN2CCC[C@H](OC)C2)ccc1C#N ZINC001238766394 779385990 /nfs/dbraw/zinc/38/59/90/779385990.db2.gz LDDCATYDCGBXBU-INIZCTEOSA-N 0 3 258.365 2.731 20 30 CFEDHN CCc1cc(CN2CC(N3CCCCC3)C2)ccc1C#N ZINC001238777279 779389448 /nfs/dbraw/zinc/38/94/48/779389448.db2.gz DAUOFFIRCQGQRG-UHFFFAOYSA-N 0 3 283.419 2.791 20 30 CFEDHN C=CCCN1CC[C@@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843399 779396999 /nfs/dbraw/zinc/39/69/99/779396999.db2.gz WBYRKVKGJAGSHM-CYBMUJFWSA-N 0 3 299.827 2.567 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)CC(C)(C)C1 ZINC001089380572 779447048 /nfs/dbraw/zinc/44/70/48/779447048.db2.gz GCVFLHAAQZMORU-HNNXBMFYSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089468630 779490619 /nfs/dbraw/zinc/49/06/19/779490619.db2.gz ZKNDPSVYNIYGPV-CRAIPNDOSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CC=CC2)CC(C)(C)C1 ZINC001089483198 779494088 /nfs/dbraw/zinc/49/40/88/779494088.db2.gz GPRGVFPVIFXWIC-OAHLLOKOSA-N 0 3 288.435 2.583 20 30 CFEDHN CCCCCCCNC(=O)N1CCN[C@H](C(C)C)C1 ZINC001239283679 779501143 /nfs/dbraw/zinc/50/11/43/779501143.db2.gz QOEUFGOSWZMBHR-AWEZNQCLSA-N 0 3 269.433 2.596 20 30 CFEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C ZINC001272675762 779545419 /nfs/dbraw/zinc/54/54/19/779545419.db2.gz QIDFNXLEISVKDB-BBRMVZONSA-N 0 3 272.392 2.577 20 30 CFEDHN CCCCCCCCCCNC(=S)N1CCNC1 ZINC001239460359 779576139 /nfs/dbraw/zinc/57/61/39/779576139.db2.gz LXJPGJASGACVQT-UHFFFAOYSA-N 0 3 271.474 2.864 20 30 CFEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC ZINC001089755949 779585590 /nfs/dbraw/zinc/58/55/90/779585590.db2.gz FFONQZRUIYOSCS-XGUBFFRZSA-N 0 3 296.842 2.708 20 30 CFEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC23CCC3)cc1 ZINC001272700733 779660791 /nfs/dbraw/zinc/66/07/91/779660791.db2.gz MQACPEMJOSGYKT-PBHICJAKSA-N 0 3 296.414 2.777 20 30 CFEDHN C=C1CCC(C(=O)NCC2CN(CC[C@H](C)F)C2)CC1 ZINC001031951224 779681463 /nfs/dbraw/zinc/68/14/63/779681463.db2.gz FAIGRVCWWLAZOB-ZDUSSCGKSA-N 0 3 282.403 2.529 20 30 CFEDHN C=C(C)CCC(=O)N[C@@H]1CN(CC/C=C/CC)C[C@H]1OC ZINC001212348807 779701872 /nfs/dbraw/zinc/70/18/72/779701872.db2.gz AZOGPUAVVIPBDG-YCZSJOHXSA-N 0 3 294.439 2.514 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ncccc1C ZINC001272715386 779712860 /nfs/dbraw/zinc/71/28/60/779712860.db2.gz IKHCXDBQHASMTF-IAGOWNOFSA-N 0 3 299.418 2.531 20 30 CFEDHN C#CCCN1CC(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001032072739 779729543 /nfs/dbraw/zinc/72/95/43/779729543.db2.gz DEBJYJIYBOGCFD-QAQDUYKDSA-N 0 3 290.451 2.520 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2ncsc2C(C)C)C1 ZINC001032120091 779740153 /nfs/dbraw/zinc/74/01/53/779740153.db2.gz LBPKOTGWPNMIAI-UHFFFAOYSA-N 0 3 293.436 2.504 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001032143053 779746282 /nfs/dbraw/zinc/74/62/82/779746282.db2.gz KCVYRIFPHQRLOV-UHFFFAOYSA-N 0 3 296.773 2.717 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001032419997 779947964 /nfs/dbraw/zinc/94/79/64/779947964.db2.gz SUAKSSFBMDXBGG-IKGGRYGDSA-N 0 3 288.435 2.984 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C ZINC001032423040 779952084 /nfs/dbraw/zinc/95/20/84/779952084.db2.gz SFRINNBUXOZCJO-STQMWFEESA-N 0 3 284.831 2.706 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)cn1 ZINC001032533082 780015526 /nfs/dbraw/zinc/01/55/26/780015526.db2.gz RZZNUNJJSKSVIB-HOTGVXAUSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032562207 780036883 /nfs/dbraw/zinc/03/68/83/780036883.db2.gz MXKCRUFMWWAGMX-GJZGRUSLSA-N 0 3 290.451 2.920 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC)C1 ZINC001032614693 780074397 /nfs/dbraw/zinc/07/43/97/780074397.db2.gz XQIGDYWMRNOIKZ-QEJZJMRPSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001032615426 780075798 /nfs/dbraw/zinc/07/57/98/780075798.db2.gz UJGYRRFMNRMWMY-OVWQWFNUSA-N 0 3 288.435 2.818 20 30 CFEDHN COc1ccc([C@@H]2C[C@@H](N3CC(CC#N)C3)CCO2)cc1 ZINC001168632074 780134105 /nfs/dbraw/zinc/13/41/05/780134105.db2.gz XQETXFZFUDPZIP-RDJZCZTQSA-N 0 3 286.375 2.761 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCNCc1ccsc1 ZINC001128085258 780145517 /nfs/dbraw/zinc/14/55/17/780145517.db2.gz QUIXQUXENQOMGH-UHFFFAOYSA-N 0 3 278.421 2.722 20 30 CFEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049655384 780194789 /nfs/dbraw/zinc/19/47/89/780194789.db2.gz PIZMGTXFZPJNOY-HUUCEWRRSA-N 0 3 276.424 2.674 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC001116835883 780245863 /nfs/dbraw/zinc/24/58/63/780245863.db2.gz UDAISLVTKUHWHA-HUUCEWRRSA-N 0 3 291.778 2.623 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)F)C12CCC2 ZINC001078536399 780269184 /nfs/dbraw/zinc/26/91/84/780269184.db2.gz LSMUKXZIIABYBD-WDEREUQCSA-N 0 3 288.794 2.504 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(C)CC2)C12CCC2 ZINC001078632254 780285172 /nfs/dbraw/zinc/28/51/72/780285172.db2.gz NSUZVTWCCRTYQO-VXGBXAGGSA-N 0 3 282.815 2.556 20 30 CFEDHN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccsc1)CC2 ZINC001272936911 780314998 /nfs/dbraw/zinc/31/49/98/780314998.db2.gz VMJZIDZPLTVNAC-CQSZACIVSA-N 0 3 290.432 2.652 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888476 780500785 /nfs/dbraw/zinc/50/07/85/780500785.db2.gz NLMCVJXKXPGHEP-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(C)o1 ZINC001273011361 780515215 /nfs/dbraw/zinc/51/52/15/780515215.db2.gz BHBXYRSFEPYSCH-HZPDHXFCSA-N 0 3 288.391 2.648 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033063570 780551168 /nfs/dbraw/zinc/55/11/68/780551168.db2.gz DBNKDIUCIMYZCD-CYBMUJFWSA-N 0 3 278.421 2.779 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@]2(C)CCC[C@H]2CC)CCC1 ZINC001273106920 780597671 /nfs/dbraw/zinc/59/76/71/780597671.db2.gz UXGDFTZOZFUAJP-NVXWUHKLSA-N 0 3 290.451 2.855 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@](C)(F)CCCC)CCC1 ZINC001273107505 780598234 /nfs/dbraw/zinc/59/82/34/780598234.db2.gz ZRKHYRIYGNWAGJ-HNNXBMFYSA-N 0 3 282.403 2.557 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033183688 780607696 /nfs/dbraw/zinc/60/76/96/780607696.db2.gz LHKNPUYIYHFOEX-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)c2cn(C)c3ccccc23)C1 ZINC001033240304 780626920 /nfs/dbraw/zinc/62/69/20/780626920.db2.gz KPTAZMORPBJNQI-CQSZACIVSA-N 0 3 297.402 2.511 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033260242 780635998 /nfs/dbraw/zinc/63/59/98/780635998.db2.gz VJANILTYEFAUTI-JTQLQIEISA-N 0 3 299.827 2.519 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033443771 780683762 /nfs/dbraw/zinc/68/37/62/780683762.db2.gz QQBUTZQHNGCQCU-INIZCTEOSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456546 780686420 /nfs/dbraw/zinc/68/64/20/780686420.db2.gz XGPJEAUMAQUREF-MRXNPFEDSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001033556430 780712929 /nfs/dbraw/zinc/71/29/29/780712929.db2.gz CMRAJAWHSCRJJK-ZDUSSCGKSA-N 0 3 291.395 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033692728 780750217 /nfs/dbraw/zinc/75/02/17/780750217.db2.gz LVHLLCJLSPAYIF-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033691280 780754359 /nfs/dbraw/zinc/75/43/59/780754359.db2.gz LNWPWSZJUPRPSV-BACDZXNISA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033700136 780755771 /nfs/dbraw/zinc/75/57/71/780755771.db2.gz SAFPEXQLLFCRBY-LLVKDONJSA-N 0 3 282.384 2.610 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033753674 780779510 /nfs/dbraw/zinc/77/95/10/780779510.db2.gz SVBQTZZKGJSABZ-HZPDHXFCSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)cs2)CC1 ZINC001005360894 780789824 /nfs/dbraw/zinc/78/98/24/780789824.db2.gz IVKOIOOWXSMCKJ-UHFFFAOYSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033821655 780801145 /nfs/dbraw/zinc/80/11/45/780801145.db2.gz UBNQBLPTWHGUQZ-LBPRGKRZSA-N 0 3 296.411 3.000 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989898 780850716 /nfs/dbraw/zinc/85/07/16/780850716.db2.gz PXRVPEZBEGLGBP-OAHLLOKOSA-N 0 3 290.432 2.616 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034079101 780880195 /nfs/dbraw/zinc/88/01/95/780880195.db2.gz BZWWRLRIHFCNDO-MRXNPFEDSA-N 0 3 272.392 2.847 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034096978 780890316 /nfs/dbraw/zinc/89/03/16/780890316.db2.gz GJTMRHKMUSDTOU-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034157202 780905263 /nfs/dbraw/zinc/90/52/63/780905263.db2.gz CJFSDUNURKVSNS-OAHLLOKOSA-N 0 3 288.391 2.504 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ncccc2C)C1 ZINC001034150615 780907794 /nfs/dbraw/zinc/90/77/94/780907794.db2.gz ROPQVWZPDTVFHW-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034191133 780918694 /nfs/dbraw/zinc/91/86/94/780918694.db2.gz WBYKIAZIIINIPS-CQSZACIVSA-N 0 3 289.423 2.738 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034265367 780934979 /nfs/dbraw/zinc/93/49/79/780934979.db2.gz KHSSBVWYZVDCSN-DZGCQCFKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034276928 780937906 /nfs/dbraw/zinc/93/79/06/780937906.db2.gz TWOBEOUERYHNEU-CYBMUJFWSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034320847 780946085 /nfs/dbraw/zinc/94/60/85/780946085.db2.gz BGFQQHPRBRXUJY-YVSFHVDLSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034355598 780950690 /nfs/dbraw/zinc/95/06/90/780950690.db2.gz LFHSNOHVCHGXHF-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034358739 780952332 /nfs/dbraw/zinc/95/23/32/780952332.db2.gz VHLCTMHJQOJRTQ-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034343221 780952402 /nfs/dbraw/zinc/95/24/02/780952402.db2.gz PISGULPCMNPWNW-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001034373513 780957022 /nfs/dbraw/zinc/95/70/22/780957022.db2.gz SYSHUZSRTWMNLC-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389869 780963815 /nfs/dbraw/zinc/96/38/15/780963815.db2.gz PDLXZABUAUFAGU-BZUAXINKSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034490724 780981781 /nfs/dbraw/zinc/98/17/81/780981781.db2.gz LTWZYTNRKRIFKZ-RDJZCZTQSA-N 0 3 286.419 2.947 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001045539341 781029851 /nfs/dbraw/zinc/02/98/51/781029851.db2.gz QJINPCAIJSMVLA-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001045584448 781061001 /nfs/dbraw/zinc/06/10/01/781061001.db2.gz DALBHIAWPIIZLC-LSDHHAIUSA-N 0 3 276.424 2.579 20 30 CFEDHN CCCCCCCNC(=O)[C@]1(N)C[C@H](OCC)C1(C)C ZINC000703783219 781061955 /nfs/dbraw/zinc/06/19/55/781061955.db2.gz UPYAFGUNUPOHOR-XJKSGUPXSA-N 0 3 284.444 2.606 20 30 CFEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C(\C)CC)C2 ZINC001278336029 781125878 /nfs/dbraw/zinc/12/58/78/781125878.db2.gz OBQZENQRJVLDJT-IYICPGQYSA-N 0 3 288.435 2.681 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC3(CCN(CCF)C3)CC2)C1 ZINC001035226845 781130774 /nfs/dbraw/zinc/13/07/74/781130774.db2.gz MKGHXIOOJILYPW-UHFFFAOYSA-N 0 3 294.414 2.627 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1occc1C)CC2 ZINC001035649835 781151771 /nfs/dbraw/zinc/15/17/71/781151771.db2.gz HWQDRNZWZCWORP-UHFFFAOYSA-N 0 3 288.391 2.702 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)C1CCC1)CC2 ZINC001035730666 781162002 /nfs/dbraw/zinc/16/20/02/781162002.db2.gz SAMHCQZNTRWJBE-OAHLLOKOSA-N 0 3 290.451 2.923 20 30 CFEDHN C#Cc1cccc(-c2cncc([C@H]3CN4CCC3CC4)n2)c1 ZINC001241918534 781181735 /nfs/dbraw/zinc/18/17/35/781181735.db2.gz BAEPDUYFRHZVOA-KRWDZBQOSA-N 0 3 289.382 2.934 20 30 CFEDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000709502299 781312096 /nfs/dbraw/zinc/31/20/96/781312096.db2.gz NGQMNCGWSQVARV-NWDGAFQWSA-N 0 3 279.409 2.645 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@H](C)c2cccc(C)c2)CCC1 ZINC001273161479 781427594 /nfs/dbraw/zinc/42/75/94/781427594.db2.gz JVPPMNQMFQCQCY-MRXNPFEDSA-N 0 3 298.430 2.750 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCC3(CCC3)O2)c(F)c1 ZINC000711479625 781440994 /nfs/dbraw/zinc/44/09/94/781440994.db2.gz FHZQIAHHUGBLEK-AWEZNQCLSA-N 0 3 274.339 2.889 20 30 CFEDHN Cc1cc(C#N)ccc1-c1cncc(CN(C)C)c1 ZINC001242474883 781529157 /nfs/dbraw/zinc/52/91/57/781529157.db2.gz WUHBCQRXRYAPSY-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN Cc1cc(C#N)ccc1-c1cccc(CN(C)C)n1 ZINC001242473664 781529246 /nfs/dbraw/zinc/52/92/46/781529246.db2.gz FREYPJFNGSCEMZ-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079393058 781591974 /nfs/dbraw/zinc/59/19/74/781591974.db2.gz PDLJACNACOFEGN-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001080524388 781667855 /nfs/dbraw/zinc/66/78/55/781667855.db2.gz KAKZEMYEEMRIIC-FVQBIDKESA-N 0 3 290.382 2.710 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001080822630 781679562 /nfs/dbraw/zinc/67/95/62/781679562.db2.gz JDFMMFXCYRIXRC-IUODEOHRSA-N 0 3 292.810 2.966 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001081024599 781692096 /nfs/dbraw/zinc/69/20/96/781692096.db2.gz PKJSCKLEKSAVGY-XSCHDIRWSA-N 0 3 278.440 2.681 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001081017848 781696494 /nfs/dbraw/zinc/69/64/94/781696494.db2.gz VPEADERCKROENR-CZUORRHYSA-N 0 3 290.382 2.782 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001081016469 781696509 /nfs/dbraw/zinc/69/65/09/781696509.db2.gz NTAAFGNLIRMGBT-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001081053603 781698869 /nfs/dbraw/zinc/69/88/69/781698869.db2.gz HSWYIUSOEMXIEO-ZIAGYGMSSA-N 0 3 290.451 2.519 20 30 CFEDHN Cc1cc(-c2cc(CN(C)C)ccn2)ccc1C#N ZINC001242766715 781750991 /nfs/dbraw/zinc/75/09/91/781750991.db2.gz LVXRRUQFMFRIBC-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN Cc1cc(-c2ccc3c(c2)COC32CNC2)ccc1C#N ZINC001242769119 781753415 /nfs/dbraw/zinc/75/34/15/781753415.db2.gz GHLAEUPEAOZWIE-UHFFFAOYSA-N 0 3 276.339 2.862 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001084161375 781775459 /nfs/dbraw/zinc/77/54/59/781775459.db2.gz WIJMFJIISJRSPF-HZPDHXFCSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H]2CCN(CC#CC)[C@H]2C1 ZINC001085024284 781882780 /nfs/dbraw/zinc/88/27/80/781882780.db2.gz JJDQIFVCKGBHBP-SOLBZPMBSA-N 0 3 288.435 2.535 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(F)(F)F ZINC001098948685 781903713 /nfs/dbraw/zinc/90/37/13/781903713.db2.gz DFOFYANZYJOMJG-NSHDSACASA-N 0 3 292.345 2.732 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCCC1 ZINC001085114401 781918253 /nfs/dbraw/zinc/91/82/53/781918253.db2.gz WAJLIXUUGBLWNB-ZIAGYGMSSA-N 0 3 284.831 2.946 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594505252 349434082 /nfs/dbraw/zinc/43/40/82/349434082.db2.gz RUOGIQKYJMNZQC-MRXNPFEDSA-N 0 3 289.375 2.643 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@]2(C)CCOC2)cc1 ZINC000594505245 349434162 /nfs/dbraw/zinc/43/41/62/349434162.db2.gz RJXQCKWQQRYYSO-MRXNPFEDSA-N 0 3 258.365 2.756 20 30 CFEDHN C[C@H](Cn1cccn1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594519588 349440185 /nfs/dbraw/zinc/44/01/85/349440185.db2.gz WQSAJQSSOJJLGR-CQSZACIVSA-N 0 3 280.375 2.812 20 30 CFEDHN CC(C)[C@@H](CNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000594519326 349440278 /nfs/dbraw/zinc/44/02/78/349440278.db2.gz PRQRSPVTLCWIJP-CQSZACIVSA-N 0 3 292.379 2.855 20 30 CFEDHN Cc1cc(C#N)cc(N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594602618 349459128 /nfs/dbraw/zinc/45/91/28/349459128.db2.gz RENSNGYBSBCITN-HUUCEWRRSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1c(N[C@@H]2CCCN3CCCC[C@H]23)nc2ccccn12 ZINC000594603295 349459185 /nfs/dbraw/zinc/45/91/85/349459185.db2.gz SYZHXSXQSKOZSC-ZIAGYGMSSA-N 0 3 295.390 2.635 20 30 CFEDHN C[C@@H](NCCO[C@@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000594721053 349480091 /nfs/dbraw/zinc/48/00/91/349480091.db2.gz LHCXCPXYGNGTBX-ZWNOBZJWSA-N 0 3 266.291 2.633 20 30 CFEDHN C=C1CCN(CCOCc2ccc(OC)cc2)CC1 ZINC000594733833 349482820 /nfs/dbraw/zinc/48/28/20/349482820.db2.gz GOQRBQQDWWYXCM-UHFFFAOYSA-N 0 3 261.365 2.864 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000067703991 346815560 /nfs/dbraw/zinc/81/55/60/346815560.db2.gz JGYWTOFGLAUNGF-UHFFFAOYSA-N 0 3 276.767 2.624 20 30 CFEDHN C[C@H](Cn1cccn1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594914396 349504176 /nfs/dbraw/zinc/50/41/76/349504176.db2.gz HSPADZARCRSZJF-CQSZACIVSA-N 0 3 280.375 2.617 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000127666863 187324803 /nfs/dbraw/zinc/32/48/03/187324803.db2.gz KBWSGZJSCVOTOF-MRXNPFEDSA-N 0 3 288.439 2.501 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000124586688 187144647 /nfs/dbraw/zinc/14/46/47/187144647.db2.gz ZJXGMQKDSDBBSC-SWLSCSKDSA-N 0 3 271.364 2.760 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594927097 349512375 /nfs/dbraw/zinc/51/23/75/349512375.db2.gz UQPPXVFNFJWFFF-BPLDGKMQSA-N 0 3 289.375 2.539 20 30 CFEDHN COCc1csc(CNCC2(CC#N)CC2)c1 ZINC000594935097 349517643 /nfs/dbraw/zinc/51/76/43/349517643.db2.gz BPTNBXFVNGKFLX-UHFFFAOYSA-N 0 3 250.367 2.678 20 30 CFEDHN N#CC1(c2ccc(CNCCOCC(F)F)cc2)CC1 ZINC000594940905 349520814 /nfs/dbraw/zinc/52/08/14/349520814.db2.gz VHXLJRZYOLXTFI-UHFFFAOYSA-N 0 3 280.318 2.613 20 30 CFEDHN N#Cc1c(Cl)nsc1N1CCC[C@H](N2CCCC2)C1 ZINC000301227572 290006082 /nfs/dbraw/zinc/00/60/82/290006082.db2.gz CPUNKGIVCAKNLP-JTQLQIEISA-N 0 3 296.827 2.733 20 30 CFEDHN CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H](O)C(F)F ZINC000594956941 349529473 /nfs/dbraw/zinc/52/94/73/349529473.db2.gz LNEQPSZDWGBSBY-KGLIPLIRSA-N 0 3 294.345 2.736 20 30 CFEDHN CC(C)(NCc1cccnc1)c1cccc(C#N)c1 ZINC000594964209 349532621 /nfs/dbraw/zinc/53/26/21/349532621.db2.gz CAXUVPCBQOGAEF-UHFFFAOYSA-N 0 3 251.333 2.978 20 30 CFEDHN CC(C)(NCC1=CCCOC1)c1cccc(C#N)c1 ZINC000594970575 349535927 /nfs/dbraw/zinc/53/59/27/349535927.db2.gz YOQYLVXZHOPQTN-UHFFFAOYSA-N 0 3 256.349 2.730 20 30 CFEDHN COc1ccnc(CNC2CCC(C)(C#N)CC2)c1F ZINC000594976433 349536587 /nfs/dbraw/zinc/53/65/87/349536587.db2.gz DRWFACZMRHYZOB-UHFFFAOYSA-N 0 3 277.343 2.791 20 30 CFEDHN CC[C@H](CNCc1ccc(C#N)cc1F)N1CCCC1 ZINC000269456829 190495480 /nfs/dbraw/zinc/49/54/80/190495480.db2.gz XCBZOWBSEVFDJQ-OAHLLOKOSA-N 0 3 275.371 2.661 20 30 CFEDHN N#Cc1cccc(C2(NCc3ccncc3)CCOCC2)c1 ZINC000594985122 349539132 /nfs/dbraw/zinc/53/91/32/349539132.db2.gz XGAGRJMFMNUMIH-UHFFFAOYSA-N 0 3 293.370 2.749 20 30 CFEDHN CC1(C)[C@H](CNCc2cnc3ccc(C#N)cn23)C1(F)F ZINC000594991914 349540939 /nfs/dbraw/zinc/54/09/39/349540939.db2.gz NISHTVUFBNJNHL-LBPRGKRZSA-N 0 3 290.317 2.587 20 30 CFEDHN CO[C@H](CNCc1cc(C#N)cs1)C1CCCC1 ZINC000594994671 349542144 /nfs/dbraw/zinc/54/21/44/349542144.db2.gz NEGOWKSEJJIUQA-CQSZACIVSA-N 0 3 264.394 2.915 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCC(F)(F)CC2)s1 ZINC000595000717 349544372 /nfs/dbraw/zinc/54/43/72/349544372.db2.gz NKSNKDCPPNKQNZ-UHFFFAOYSA-N 0 3 286.347 2.650 20 30 CFEDHN C[C@H](CSCCF)NCc1ccc(C#N)c(F)c1 ZINC000595049980 349564847 /nfs/dbraw/zinc/56/48/47/349564847.db2.gz DQRKLANGQDDPNT-SNVBAGLBSA-N 0 3 270.348 2.878 20 30 CFEDHN Cn1ccnc1[C@H](NCCc1ccc(C#N)cc1)C1CC1 ZINC000595056043 349567518 /nfs/dbraw/zinc/56/75/18/349567518.db2.gz PRXWFBIPVMNALD-MRXNPFEDSA-N 0 3 280.375 2.575 20 30 CFEDHN CC[C@H](NCCc1ccc(C#N)cc1)c1nccn1C ZINC000595057907 349569730 /nfs/dbraw/zinc/56/97/30/349569730.db2.gz YLKIJKPJUWMTFJ-HNNXBMFYSA-N 0 3 268.364 2.575 20 30 CFEDHN C=CCCSCCN[C@H]1CCCc2c1cnn2C ZINC000595059369 349570326 /nfs/dbraw/zinc/57/03/26/349570326.db2.gz NAOUGGXFUKUHOA-ZDUSSCGKSA-N 0 3 265.426 2.696 20 30 CFEDHN CCO[C@H]1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000595069369 349573502 /nfs/dbraw/zinc/57/35/02/349573502.db2.gz ROJGWAAKTCBVIM-RAIGVLPGSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCCSCCN[C@H](C)c1nccnc1C ZINC000595061276 349571475 /nfs/dbraw/zinc/57/14/75/349571475.db2.gz ZYAHALSIGKDVTL-GFCCVEGCSA-N 0 3 251.399 2.745 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1cccc(C#N)c1 ZINC000595091039 349578295 /nfs/dbraw/zinc/57/82/95/349578295.db2.gz RESNAGWZYKLQNS-GLQYFDAESA-N 0 3 256.349 2.512 20 30 CFEDHN CC(C)[C@@H](Cn1cccn1)NCC1(C#N)CCCCC1 ZINC000595091054 349578404 /nfs/dbraw/zinc/57/84/04/349578404.db2.gz MONASMXFIKXEQV-OAHLLOKOSA-N 0 3 274.412 2.971 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595092766 349579387 /nfs/dbraw/zinc/57/93/87/349579387.db2.gz WKFORJNNBAXRNN-XHSDSOJGSA-N 0 3 270.376 2.902 20 30 CFEDHN Cc1cccc2c1CCC[C@H]2NC(=O)[C@@H](N)CCCC#N ZINC000595258365 349589327 /nfs/dbraw/zinc/58/93/27/349589327.db2.gz CAYKNCZZVZSTLB-JKSUJKDBSA-N 0 3 285.391 2.510 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](C)S1 ZINC000595328213 349602387 /nfs/dbraw/zinc/60/23/87/349602387.db2.gz XFEFDBKBRYFJGI-CHWSQXEVSA-N 0 3 260.406 2.927 20 30 CFEDHN N#Cc1ccc(CN(CCO[C@@H]2CC2(F)F)C2CC2)cc1 ZINC000595296512 349594687 /nfs/dbraw/zinc/59/46/87/349594687.db2.gz FFVVINZIQVRALT-OAHLLOKOSA-N 0 3 292.329 2.947 20 30 CFEDHN CC(C)CO[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595345943 349607453 /nfs/dbraw/zinc/60/74/53/349607453.db2.gz RYDZMCKQGUFBFX-QGZVFWFLSA-N 0 3 272.392 2.848 20 30 CFEDHN CN(CCc1nccs1)CCc1ccc(C#N)cc1 ZINC000595399255 349617362 /nfs/dbraw/zinc/61/73/62/349617362.db2.gz XXNUKFQXULYCGO-UHFFFAOYSA-N 0 3 271.389 2.732 20 30 CFEDHN CC(C)n1cc(C2=CCCN(CCCC#N)CC2)nn1 ZINC000595519382 349649427 /nfs/dbraw/zinc/64/94/27/349649427.db2.gz XTKDJYQZDKACEQ-UHFFFAOYSA-N 0 3 273.384 2.642 20 30 CFEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000595492059 349641841 /nfs/dbraw/zinc/64/18/41/349641841.db2.gz ZULVXEQFCIECMY-IAGOWNOFSA-N 0 3 284.403 2.990 20 30 CFEDHN CC(C)(C#N)CCN[C@@H](c1cccnc1)C(C)(C)CO ZINC000595498193 349642376 /nfs/dbraw/zinc/64/23/76/349642376.db2.gz CTNKWEZNUXTLPP-AWEZNQCLSA-N 0 3 275.396 2.671 20 30 CFEDHN CC(C)N1CCCN(c2cccc(F)c2C#N)CC1 ZINC000068916417 346876516 /nfs/dbraw/zinc/87/65/16/346876516.db2.gz MMQLTTPWTYQIKB-UHFFFAOYSA-N 0 3 261.344 2.618 20 30 CFEDHN N#Cc1ccc(CCN2CCOC[C@H]2C2CCC2)cc1 ZINC000595560480 349659683 /nfs/dbraw/zinc/65/96/83/349659683.db2.gz YQEBWQUBTZOAER-KRWDZBQOSA-N 0 3 270.376 2.602 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595530245 349652287 /nfs/dbraw/zinc/65/22/87/349652287.db2.gz PZAPRISQDUOCBO-KBPBESRZSA-N 0 3 279.428 2.553 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@@H](CO)Cc1ccccc1 ZINC000595593622 349668209 /nfs/dbraw/zinc/66/82/09/349668209.db2.gz XUKDRNDGEZQNKB-GOSISDBHSA-N 0 3 280.371 2.594 20 30 CFEDHN 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CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CCCC1 ZINC000047010922 346441837 /nfs/dbraw/zinc/44/18/37/346441837.db2.gz SEMZXWFPMORFLO-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN CC(C)CCN(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000047912089 346461070 /nfs/dbraw/zinc/46/10/70/346461070.db2.gz HBUQMILENZERNV-UHFFFAOYSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1nc(CN)ccc1[C@@H](C)NCC1(C#N)CCCCC1 ZINC000596653269 349969510 /nfs/dbraw/zinc/96/95/10/349969510.db2.gz UWSMUFQAVMXURN-CYBMUJFWSA-N 0 3 286.423 2.973 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CC)CC1 ZINC000052280119 346520164 /nfs/dbraw/zinc/52/01/64/346520164.db2.gz MERSKOOBTDPIMT-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)c1ccc(F)cc1F ZINC000051092545 346500012 /nfs/dbraw/zinc/50/00/12/346500012.db2.gz SOGRGWUQMCJIMB-CQSZACIVSA-N 0 3 255.308 2.896 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H]1CC1CCCCC1 ZINC000060892966 346673047 /nfs/dbraw/zinc/67/30/47/346673047.db2.gz MLTZDHCEYJVGRN-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN CN(C)[C@@H](CNc1ncccc1C#N)c1ccc(F)cc1 ZINC000059394233 346656645 /nfs/dbraw/zinc/65/66/45/346656645.db2.gz MDTJZBJJRCBAJR-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCCC[C@H]1C ZINC000057388186 346625850 /nfs/dbraw/zinc/62/58/50/346625850.db2.gz WLZAKBWDIUYYMU-CABCVRRESA-N 0 3 291.439 2.840 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000063754481 346709619 /nfs/dbraw/zinc/70/96/19/346709619.db2.gz XCIFGORKIGOXPQ-KRWDZBQOSA-N 0 3 288.391 2.576 20 30 CFEDHN C=C(C)CN(CC)CCOc1cccc(C(=O)OC)c1 ZINC000064508201 346721808 /nfs/dbraw/zinc/72/18/08/346721808.db2.gz YRMHRMGHDQHGFF-UHFFFAOYSA-N 0 3 277.364 2.750 20 30 CFEDHN C/C=C/C=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931179 346744356 /nfs/dbraw/zinc/74/43/56/346744356.db2.gz YGFBRUXSJDYBLE-UMCKCUICSA-N 0 3 297.402 2.581 20 30 CFEDHN Cc1oc(NC(=O)[C@H](C)N(C)CC(C)C)c(C#N)c1C ZINC000065961731 346745383 /nfs/dbraw/zinc/74/53/83/346745383.db2.gz DMTQDNDUXNQHLA-NSHDSACASA-N 0 3 277.368 2.683 20 30 CFEDHN Cc1ccccc1C1(O)CCN(CCCCC#N)CC1 ZINC000075923818 347109486 /nfs/dbraw/zinc/10/94/86/347109486.db2.gz FAJJGXIWOFMOFK-UHFFFAOYSA-N 0 3 272.392 2.972 20 30 CFEDHN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000076110349 347120592 /nfs/dbraw/zinc/12/05/92/347120592.db2.gz VUPFPPBDWHPKKR-TXEJJXNPSA-N 0 3 282.347 2.696 20 30 CFEDHN C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C ZINC000076110986 347121405 /nfs/dbraw/zinc/12/14/05/347121405.db2.gz HFSGCNUODBMTFN-RYUDHWBXSA-N 0 3 282.347 2.696 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000076948172 347161575 /nfs/dbraw/zinc/16/15/75/347161575.db2.gz AGSXMWZJGBRSEQ-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN CCN1CCCC[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000077219804 347176365 /nfs/dbraw/zinc/17/63/65/347176365.db2.gz UUAFDVMFTJQTMD-ZDUSSCGKSA-N 0 3 295.390 2.788 20 30 CFEDHN CCCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000077250137 347180879 /nfs/dbraw/zinc/18/08/79/347180879.db2.gz PYHSPWQKFYPRJG-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000078560079 347261753 /nfs/dbraw/zinc/26/17/53/347261753.db2.gz PNFVTKVRTOLSLM-UHFFFAOYSA-N 0 3 254.374 2.504 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2ccccn2)CC1 ZINC000091508047 347591123 /nfs/dbraw/zinc/59/11/23/347591123.db2.gz SNJUFZMAXHMLGX-HNNXBMFYSA-N 0 3 259.397 2.948 20 30 CFEDHN CCN1CCC(N(C)c2snc(Cl)c2C#N)CC1 ZINC000092585127 347633649 /nfs/dbraw/zinc/63/36/49/347633649.db2.gz RJZVWOZXFDQVKJ-UHFFFAOYSA-N 0 3 284.816 2.589 20 30 CFEDHN C[C@H]1C[C@H](N(C)c2snc(Cl)c2C#N)CCN1C ZINC000092656971 347638045 /nfs/dbraw/zinc/63/80/45/347638045.db2.gz SMRRFJDJVFWUHT-DTWKUNHWSA-N 0 3 284.816 2.587 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@@H]4CCCC[C@@H]43)n2c1 ZINC000092709621 347642377 /nfs/dbraw/zinc/64/23/77/347642377.db2.gz DQEQUAWLRAXDSI-HOCLYGCPSA-N 0 3 280.375 2.970 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2ccc(F)cn2)CC1 ZINC000092746980 347644049 /nfs/dbraw/zinc/64/40/49/347644049.db2.gz KRBJPADTIBVOKM-GFCCVEGCSA-N 0 3 263.360 2.522 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@H](Oc2ccncc2)C1 ZINC000093866344 347686732 /nfs/dbraw/zinc/68/67/32/347686732.db2.gz VAAQKNAVEGNVLG-HNNXBMFYSA-N 0 3 273.380 2.865 20 30 CFEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000114196386 347770429 /nfs/dbraw/zinc/77/04/29/347770429.db2.gz BSTXYWVPYNDMHC-LLVKDONJSA-N 0 3 259.353 2.521 20 30 CFEDHN COc1cccc(NC2CCN(CCCC#N)CC2)c1 ZINC000111304969 347753018 /nfs/dbraw/zinc/75/30/18/347753018.db2.gz XDSWRHKSELSHLW-UHFFFAOYSA-N 0 3 273.380 2.875 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000668554913 539574623 /nfs/dbraw/zinc/57/46/23/539574623.db2.gz RDVKKHJLTPTYHR-ZIAGYGMSSA-N 0 3 275.392 2.700 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)CC#N)c1ccccc1 ZINC000596712367 349976828 /nfs/dbraw/zinc/97/68/28/349976828.db2.gz ZUXMHCUGLIXPLL-ZBFHGGJFSA-N 0 3 287.407 2.735 20 30 CFEDHN C=CC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000135067768 347903555 /nfs/dbraw/zinc/90/35/55/347903555.db2.gz KXYDAPWZNVGCRM-UHFFFAOYSA-N 0 3 256.349 2.965 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](NC[C@@H](C)C#N)CC3 ZINC000133040492 347889338 /nfs/dbraw/zinc/88/93/38/347889338.db2.gz JMSNTVUJHWCNAS-NWDGAFQWSA-N 0 3 283.375 2.783 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1C(C)C ZINC000143318292 347937083 /nfs/dbraw/zinc/93/70/83/347937083.db2.gz WBUAJJMARZYQEK-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1cc(C#N)ccc1CN(CCO)Cc1ccccc1 ZINC000165471971 348040216 /nfs/dbraw/zinc/04/02/16/348040216.db2.gz JXCLBMRJTTVGDB-UHFFFAOYSA-N 0 3 280.371 2.861 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000172908565 348104155 /nfs/dbraw/zinc/10/41/55/348104155.db2.gz UJNOBZXEUKKLPB-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000180988583 348123593 /nfs/dbraw/zinc/12/35/93/348123593.db2.gz QARJSCZZKHZEDC-UHFFFAOYSA-N 0 3 284.407 2.647 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC(C)C)c1ccccc1C ZINC000183244309 348126048 /nfs/dbraw/zinc/12/60/48/348126048.db2.gz NAOJJOGCIGXPSY-MRXNPFEDSA-N 0 3 274.408 2.974 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1sc(CC)nc1C ZINC000186719993 348129961 /nfs/dbraw/zinc/12/99/61/348129961.db2.gz AEXLGTPFBSTHFU-MWLCHTKSSA-N 0 3 254.399 2.602 20 30 CFEDHN N#Cc1ccccc1CN1CCc2ccccc2[C@H]1CN ZINC000227723105 348190328 /nfs/dbraw/zinc/19/03/28/348190328.db2.gz MIHHXMSVWSPLJR-GOSISDBHSA-N 0 3 277.371 2.616 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000246737652 348266017 /nfs/dbraw/zinc/26/60/17/348266017.db2.gz KFLZHMQUCFGLCV-GJZGRUSLSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@H]1SCCN(Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC000265544455 348321146 /nfs/dbraw/zinc/32/11/46/348321146.db2.gz RUJQEKQWCJBOIK-CHWSQXEVSA-N 0 3 276.405 2.915 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)o1 ZINC000281208874 348342589 /nfs/dbraw/zinc/34/25/89/348342589.db2.gz JNODDINADSDBJN-XHSDSOJGSA-N 0 3 274.364 2.667 20 30 CFEDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293549330 348362605 /nfs/dbraw/zinc/36/26/05/348362605.db2.gz RBRBPDWFJBMIMC-WMZOPIPTSA-N 0 3 299.418 2.647 20 30 CFEDHN CN(CCc1nc(-c2ccccc2)no1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293567718 348362677 /nfs/dbraw/zinc/36/26/77/348362677.db2.gz MTWZEQYQXJJINU-UKRRQHHQSA-N 0 3 296.374 2.903 20 30 CFEDHN C[C@H]1SCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000310359451 348408726 /nfs/dbraw/zinc/40/87/26/348408726.db2.gz SXTOJYHLUJHDPA-RNCFNFMXSA-N 0 3 250.342 2.681 20 30 CFEDHN COC(=O)C(C)(C)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000279954404 290859575 /nfs/dbraw/zinc/85/95/75/290859575.db2.gz OSBWHHKKNYQYID-GFCCVEGCSA-N 0 3 274.364 2.798 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413027081 233006650 /nfs/dbraw/zinc/00/66/50/233006650.db2.gz KXJLQHRWDQJXKT-OAHLLOKOSA-N 0 3 296.349 2.779 20 30 CFEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413078435 233014832 /nfs/dbraw/zinc/01/48/32/233014832.db2.gz TZSPXSVFELTJCG-JHJVBQTASA-N 0 3 290.386 2.871 20 30 CFEDHN N#Cc1cccc(CN2CCNC[C@@H]2c2ccccc2)c1 ZINC000313329332 348422460 /nfs/dbraw/zinc/42/24/60/348422460.db2.gz RISGCLBEHGRTKN-GOSISDBHSA-N 0 3 277.371 2.705 20 30 CFEDHN N#Cc1cccc(CN2CCNC[C@H]2c2ccccc2)c1 ZINC000313329334 348422597 /nfs/dbraw/zinc/42/25/97/348422597.db2.gz RISGCLBEHGRTKN-SFHVURJKSA-N 0 3 277.371 2.705 20 30 CFEDHN C[C@H]1CCCCN1CCNC(=O)CC1(C#N)CCCCC1 ZINC000596806955 349991519 /nfs/dbraw/zinc/99/15/19/349991519.db2.gz FEHCQLSWSRJNSH-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN CC1CCN(CCNC(=O)CC2(C#N)CCCCC2)CC1 ZINC000596801669 349991721 /nfs/dbraw/zinc/99/17/21/349991721.db2.gz QIQUSBSJKRBONK-UHFFFAOYSA-N 0 3 291.439 2.699 20 30 CFEDHN C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CCN1C ZINC000413156707 233025381 /nfs/dbraw/zinc/02/53/81/233025381.db2.gz GAGHZKRRVCMQED-GXSJLCMTSA-N 0 3 298.312 2.867 20 30 CFEDHN Cn1nccc1[C@H]1CCCCN1CCCSCC#N ZINC000370017199 348517271 /nfs/dbraw/zinc/51/72/71/348517271.db2.gz DURAUMHBJVZOEP-CQSZACIVSA-N 0 3 278.425 2.594 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000383075290 348530647 /nfs/dbraw/zinc/53/06/47/348530647.db2.gz VEDGRQWOHIGYPU-NVXWUHKLSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCN1CC1(CC#N)CC1 ZINC000383103321 348530676 /nfs/dbraw/zinc/53/06/76/348530676.db2.gz DJLOJMQIUJSHIP-INIZCTEOSA-N 0 3 283.419 2.887 20 30 CFEDHN N#CC[C@@H]1CCCN(CCCOCC(F)(F)F)C1 ZINC000397761424 348564320 /nfs/dbraw/zinc/56/43/20/348564320.db2.gz RTAYLTKQHZWUPT-NSHDSACASA-N 0 3 264.291 2.581 20 30 CFEDHN C[C@@H](CN(C)C)Nc1nc(C(C)(C)C)ccc1C#N ZINC000588086009 348770951 /nfs/dbraw/zinc/77/09/51/348770951.db2.gz ATXAZLGFTYOVQH-NSHDSACASA-N 0 3 260.385 2.613 20 30 CFEDHN N#CCCCCCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000588722317 348793759 /nfs/dbraw/zinc/79/37/59/348793759.db2.gz VJYXTYOWPVWFEX-OAHLLOKOSA-N 0 3 277.412 2.594 20 30 CFEDHN C=CCC[C@H](NC1CCN(CC#N)CC1)c1ccco1 ZINC000586789862 348752391 /nfs/dbraw/zinc/75/23/91/348752391.db2.gz DPMNVFKVBAIVTC-HNNXBMFYSA-N 0 3 273.380 2.864 20 30 CFEDHN Cn1ncc2ccc(CNCc3ccc(C#N)s3)cc21 ZINC000589736956 348854504 /nfs/dbraw/zinc/85/45/04/348854504.db2.gz QNGAYXSDQDYTAB-UHFFFAOYSA-N 0 3 282.372 2.796 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000589938206 348864727 /nfs/dbraw/zinc/86/47/27/348864727.db2.gz JOQGTFCLUOMYBE-MWLCHTKSSA-N 0 3 290.310 2.555 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)s1 ZINC000589938585 348864765 /nfs/dbraw/zinc/86/47/65/348864765.db2.gz ZCBXBGNHYGBZPY-KCJUWKMLSA-N 0 3 290.310 2.555 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)s1 ZINC000589938584 348864942 /nfs/dbraw/zinc/86/49/42/348864942.db2.gz ZCBXBGNHYGBZPY-GZMMTYOYSA-N 0 3 290.310 2.555 20 30 CFEDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000590162973 348881070 /nfs/dbraw/zinc/88/10/70/348881070.db2.gz IRTUNQOHEKWERL-PBHICJAKSA-N 0 3 297.402 2.703 20 30 CFEDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000590162977 348881146 /nfs/dbraw/zinc/88/11/46/348881146.db2.gz IRTUNQOHEKWERL-YOEHRIQHSA-N 0 3 297.402 2.703 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000590170251 348882321 /nfs/dbraw/zinc/88/23/21/348882321.db2.gz PLOFVONPMPTLCH-MGPQQGTHSA-N 0 3 278.396 2.590 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC2(C#N)CC2)C1 ZINC000590174337 348882861 /nfs/dbraw/zinc/88/28/61/348882861.db2.gz MWWMWFCQBHKQBL-HOCLYGCPSA-N 0 3 297.402 2.632 20 30 CFEDHN C=CCOCCN[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000590253807 348886770 /nfs/dbraw/zinc/88/67/70/348886770.db2.gz YXGGPOWTERHNQE-OAHLLOKOSA-N 0 3 277.364 2.717 20 30 CFEDHN N#CC1(CC(=O)N(CCN2CCCC2)c2ccccc2)CC1 ZINC000590268758 348888691 /nfs/dbraw/zinc/88/86/91/348888691.db2.gz DFYXCMDHUCRJKS-UHFFFAOYSA-N 0 3 297.402 2.809 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)CC1(C#N)CC1)N(C)C ZINC000590336654 348894680 /nfs/dbraw/zinc/89/46/80/348894680.db2.gz FVGIKUSZHCGDLA-YOEHRIQHSA-N 0 3 299.418 2.796 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2N1C[C@H]2CCN(C)[C@H]2C1 ZINC000590719062 348935787 /nfs/dbraw/zinc/93/57/87/348935787.db2.gz KELFGDPYAIAVBG-CJNGLKHVSA-N 0 3 292.386 2.555 20 30 CFEDHN C[C@H]1C[C@@H](NCCc2cccc(C#N)c2)c2nccn21 ZINC000590778642 348948205 /nfs/dbraw/zinc/94/82/05/348948205.db2.gz XRBWDUTUBXPZJI-SWLSCSKDSA-N 0 3 266.348 2.593 20 30 CFEDHN Cc1ccccc1CCN(C)Cc1ccnc(C#N)c1 ZINC000590746323 348941147 /nfs/dbraw/zinc/94/11/47/348941147.db2.gz XDQQRTRAYDNYAB-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN Cc1cc(C#N)ccc1CNC1(C(=O)N(C)C)CCCCC1 ZINC000590755357 348943631 /nfs/dbraw/zinc/94/36/31/348943631.db2.gz CURHUPONMOYCQT-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000591011814 348978348 /nfs/dbraw/zinc/97/83/48/348978348.db2.gz IIWIIPMATVNLHY-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)C[C@@H](O)C1CC1 ZINC000591016458 348978534 /nfs/dbraw/zinc/97/85/34/348978534.db2.gz XHAWLDXOTWMHMI-CQSZACIVSA-N 0 3 250.386 2.553 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000591061921 348982757 /nfs/dbraw/zinc/98/27/57/348982757.db2.gz ONOGWPXUTUKUPZ-FRFSOERESA-N 0 3 291.439 2.551 20 30 CFEDHN N#CCCNCC1(CCOCc2ccccc2)CC1 ZINC000591761386 349042028 /nfs/dbraw/zinc/04/20/28/349042028.db2.gz UOXAWNRZJPYOSC-UHFFFAOYSA-N 0 3 258.365 2.877 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NC[C@H](C#N)CCC#N ZINC000591769546 349042784 /nfs/dbraw/zinc/04/27/84/349042784.db2.gz QBWYMJJHJDZVGD-HOTGVXAUSA-N 0 3 276.428 2.530 20 30 CFEDHN CCCN1CCC[C@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000591825067 349048915 /nfs/dbraw/zinc/04/89/15/349048915.db2.gz ABYZYWUPQBLQCW-AWEZNQCLSA-N 0 3 284.407 2.728 20 30 CFEDHN CN(C)[C@@H](CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000591319889 349008351 /nfs/dbraw/zinc/00/83/51/349008351.db2.gz NDQHOYLTECYXKF-WMZOPIPTSA-N 0 3 299.418 2.832 20 30 CFEDHN CC(C)C[C@H](C#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000591317415 349008547 /nfs/dbraw/zinc/00/85/47/349008547.db2.gz IROSCDQAKDCVLC-HZPDHXFCSA-N 0 3 287.407 2.734 20 30 CFEDHN CN(C)[C@@H](CC(=O)N1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000591319887 349008815 /nfs/dbraw/zinc/00/88/15/349008815.db2.gz NDQHOYLTECYXKF-FUHWJXTLSA-N 0 3 299.418 2.832 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCC#N)c1cccc2ccccc21 ZINC000591601750 349033940 /nfs/dbraw/zinc/03/39/40/349033940.db2.gz DREOSJPPIBIDHD-HNNXBMFYSA-N 0 3 281.359 2.824 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000591634775 349035300 /nfs/dbraw/zinc/03/53/00/349035300.db2.gz ZAAQGESRYCPIJR-KOLCDFICSA-N 0 3 280.274 2.790 20 30 CFEDHN CO[C@H]1C[C@H]2C[C@@H](NCc3ccc(C#N)cc3F)C[C@H]2C1 ZINC000591654050 349037182 /nfs/dbraw/zinc/03/71/82/349037182.db2.gz SKYZNJIXXCAUBM-GEEKYZPCSA-N 0 3 288.366 2.991 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CC=CC1)C(C)C ZINC000127159892 539713899 /nfs/dbraw/zinc/71/38/99/539713899.db2.gz VOAHUWNPERGZBR-MRXNPFEDSA-N 0 3 291.439 2.703 20 30 CFEDHN C[C@@H]1CN(Cc2ccncc2C#N)[C@@H]2CCCC[C@@H]21 ZINC000592101947 349083238 /nfs/dbraw/zinc/08/32/38/349083238.db2.gz VCNOQGSMGJYNBD-DAXOMENPSA-N 0 3 255.365 2.964 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccncc2C#N)[C@@H](C)[C@@H]1OC ZINC000592114169 349085102 /nfs/dbraw/zinc/08/51/02/349085102.db2.gz VNENGQOEYWWKOL-WQVCFCJDSA-N 0 3 287.407 2.883 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Oc3ccccc3)C2)C1 ZINC000592136413 349089528 /nfs/dbraw/zinc/08/95/28/349089528.db2.gz SXEWHFXOEXBJKU-YCPHGPKFSA-N 0 3 256.349 2.832 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCN2CC[C@@](O)(CC#N)C2)C1 ZINC000592151379 349091775 /nfs/dbraw/zinc/09/17/75/349091775.db2.gz NXUZSMBNFXEILY-ILXRZTDVSA-N 0 3 250.386 2.553 20 30 CFEDHN Cc1cccc(C2(NCCOCCC#N)CCC2)c1 ZINC000592146891 349091857 /nfs/dbraw/zinc/09/18/57/349091857.db2.gz VCHNPXPRNIYKGV-UHFFFAOYSA-N 0 3 258.365 2.894 20 30 CFEDHN C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@](O)(CC#N)C1 ZINC000592152773 349092326 /nfs/dbraw/zinc/09/23/26/349092326.db2.gz CXNMKNACSLTXRB-DYVFJYSZSA-N 0 3 270.376 2.587 20 30 CFEDHN N#CCCCCN[C@H](CCO)c1ccccc1F ZINC000592160398 349093789 /nfs/dbraw/zinc/09/37/89/349093789.db2.gz JRDGSOZJPSLUNH-CQSZACIVSA-N 0 3 250.317 2.533 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000592199075 349097680 /nfs/dbraw/zinc/09/76/80/349097680.db2.gz WELZQSJPAROAST-GDBMZVCRSA-N 0 3 291.439 2.649 20 30 CFEDHN C=C(C)CN1CCC(NCc2nn(C)c3ccccc23)CC1 ZINC000592290861 349104737 /nfs/dbraw/zinc/10/47/37/349104737.db2.gz HEMDTMMVFYSAQN-UHFFFAOYSA-N 0 3 298.434 2.703 20 30 CFEDHN Cc1ccccc1-n1cc(CNCCCC#N)cn1 ZINC000592366925 349110440 /nfs/dbraw/zinc/11/04/40/349110440.db2.gz GEWGBGRCJVCEAY-UHFFFAOYSA-N 0 3 254.337 2.574 20 30 CFEDHN CC[C@@H](C)C[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000592374378 349111389 /nfs/dbraw/zinc/11/13/89/349111389.db2.gz CZGLKEVGADDUJS-BXUZGUMPSA-N 0 3 264.344 2.584 20 30 CFEDHN Cc1n[nH]cc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000592391455 349113842 /nfs/dbraw/zinc/11/38/42/349113842.db2.gz SPSYPEARQDCIII-LLVKDONJSA-N 0 3 254.337 2.635 20 30 CFEDHN N#CCc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000592391478 349114802 /nfs/dbraw/zinc/11/48/02/349114802.db2.gz XRCUBIYSXPHKDL-JKSUJKDBSA-N 0 3 253.349 2.925 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)C1(CO)CC=CC1 ZINC000592531336 349136428 /nfs/dbraw/zinc/13/64/28/349136428.db2.gz YRQFXYQDVQISSB-OAHLLOKOSA-N 0 3 274.364 2.594 20 30 CFEDHN CN1CCC[C@@H]1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000593013202 349186986 /nfs/dbraw/zinc/18/69/86/349186986.db2.gz IPGVUVIPRQCIJV-FGTMMUONSA-N 0 3 283.419 2.852 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000593015290 349187463 /nfs/dbraw/zinc/18/74/63/349187463.db2.gz QLCZALSOIDNYHN-BETUJISGSA-N 0 3 271.320 2.698 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000593024972 349189914 /nfs/dbraw/zinc/18/99/14/349189914.db2.gz MHAUZIFILIOXPG-JSGCOSHPSA-N 0 3 271.320 2.841 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cn2cnnc2)CC1 ZINC000593077043 349202983 /nfs/dbraw/zinc/20/29/83/349202983.db2.gz VNOWPMFDVLIEFG-AWEZNQCLSA-N 0 3 295.390 2.623 20 30 CFEDHN CN1CCN(CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593088556 349205493 /nfs/dbraw/zinc/20/54/93/349205493.db2.gz GYUWOWVWPDTYJD-KRWDZBQOSA-N 0 3 271.408 2.539 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000593090319 349205571 /nfs/dbraw/zinc/20/55/71/349205571.db2.gz QPIYODJKYQBTMU-QSPRXWTASA-N 0 3 298.386 2.567 20 30 CFEDHN CN(CCN1CCCCC1)c1cccc(F)c1C#N ZINC000593518347 349288633 /nfs/dbraw/zinc/28/86/33/349288633.db2.gz XOKNIQSPDJXFTK-UHFFFAOYSA-N 0 3 261.344 2.619 20 30 CFEDHN CCOC(=O)C(C)(C)CCC[C@@H](C)NC[C@H](C)C#N ZINC000593615444 349298826 /nfs/dbraw/zinc/29/88/26/349298826.db2.gz PLMDERRERKCHDZ-CHWSQXEVSA-N 0 3 268.401 2.884 20 30 CFEDHN CC[C@H](C#N)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000593410023 349263003 /nfs/dbraw/zinc/26/30/03/349263003.db2.gz YJTWRGWXLSYHTG-OAHLLOKOSA-N 0 3 299.418 2.625 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000593447848 349272533 /nfs/dbraw/zinc/27/25/33/349272533.db2.gz HQHXSULSHGPUIM-INIZCTEOSA-N 0 3 287.407 2.646 20 30 CFEDHN CC[C@@H](C#N)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000593502906 349285795 /nfs/dbraw/zinc/28/57/95/349285795.db2.gz FDJFXMRWRNOOPL-ZDUSSCGKSA-N 0 3 259.353 2.545 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593814605 349329504 /nfs/dbraw/zinc/32/95/04/349329504.db2.gz JUSACBRMTFMXRF-BXKDBHETSA-N 0 3 276.311 2.704 20 30 CFEDHN N#Cc1ccc(C2(NCCOCC3CC3)CCC2)cc1 ZINC000594031496 349357571 /nfs/dbraw/zinc/35/75/71/349357571.db2.gz HFNWMSIFFNYXJF-UHFFFAOYSA-N 0 3 270.376 2.954 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1NC1CCC1 ZINC000593917112 349334900 /nfs/dbraw/zinc/33/49/00/349334900.db2.gz WOQVLMJXWLXLEK-CYBMUJFWSA-N 0 3 286.379 2.611 20 30 CFEDHN C[C@@H](CCO)N(C)Cc1cccc(OCCCC#N)c1 ZINC000593693587 349310254 /nfs/dbraw/zinc/31/02/54/349310254.db2.gz ABRLLGBZMIIKMI-AWEZNQCLSA-N 0 3 276.380 2.572 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CO)CCF ZINC000593719427 349314419 /nfs/dbraw/zinc/31/44/19/349314419.db2.gz XVXYITUZBPZLQB-GOEBONIOSA-N 0 3 276.355 2.636 20 30 CFEDHN C[C@@H](COCC1CC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000593719744 349314687 /nfs/dbraw/zinc/31/46/87/349314687.db2.gz QDSYPRHNQDUFQP-YVEFUNNKSA-N 0 3 270.376 2.950 20 30 CFEDHN CC(C)CN(C(=O)CCCCC#N)C1CCN(C)CC1 ZINC000594029279 349356553 /nfs/dbraw/zinc/35/65/53/349356553.db2.gz BTEIKXGLIIJWDG-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN CC(C#N)C(=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC000593755108 349321165 /nfs/dbraw/zinc/32/11/65/349321165.db2.gz WYMWMCOMMREUQR-CQSZACIVSA-N 0 3 282.387 2.944 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594195998 349392855 /nfs/dbraw/zinc/39/28/55/349392855.db2.gz JXAAOZMKPNQSHE-SJORKVTESA-N 0 3 297.402 2.613 20 30 CFEDHN Cc1ccc([C@@H](CNC(=O)CCCCC#N)N(C)C)cc1 ZINC000594257378 349401529 /nfs/dbraw/zinc/40/15/29/349401529.db2.gz WWZSLXWQXGRNQK-MRXNPFEDSA-N 0 3 287.407 2.798 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594258002 349401613 /nfs/dbraw/zinc/40/16/13/349401613.db2.gz YACVCVJLFRBQAM-WMZOPIPTSA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)N(CC)CC ZINC000594153088 349387167 /nfs/dbraw/zinc/38/71/67/349387167.db2.gz GMIJPQKQKXTPMQ-INIZCTEOSA-N 0 3 285.391 2.521 20 30 CFEDHN CC[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000594439321 349422412 /nfs/dbraw/zinc/42/24/12/349422412.db2.gz PXAGSAHVIBLURC-JKSUJKDBSA-N 0 3 287.407 2.535 20 30 CFEDHN Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440809 349422479 /nfs/dbraw/zinc/42/24/79/349422479.db2.gz ZSLXJOVOEVBRBP-WBVHZDCISA-N 0 3 299.418 2.722 20 30 CFEDHN CCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594438697 349422631 /nfs/dbraw/zinc/42/26/31/349422631.db2.gz VSZGFZALFSKWTQ-AWEZNQCLSA-N 0 3 277.343 2.738 20 30 CFEDHN Cc1cc(F)ccc1CN(C)C(=O)[C@H](N)CCCCC#N ZINC000594444692 349423795 /nfs/dbraw/zinc/42/37/95/349423795.db2.gz BOZQFHLBIHCPAM-OAHLLOKOSA-N 0 3 291.370 2.504 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)C1CCC(C)(C)CC1 ZINC000594446109 349424400 /nfs/dbraw/zinc/42/44/00/349424400.db2.gz PYXUGSRDEMXJBT-AWEZNQCLSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2ccccc2n1 ZINC000594446833 349424893 /nfs/dbraw/zinc/42/48/93/349424893.db2.gz XPIMXIHVEUHGFT-ZDUSSCGKSA-N 0 3 282.347 2.585 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000594449546 349425258 /nfs/dbraw/zinc/42/52/58/349425258.db2.gz JSJZGDGQMGEGPQ-RDJZCZTQSA-N 0 3 289.423 2.747 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000668740251 539744531 /nfs/dbraw/zinc/74/45/31/539744531.db2.gz SCLMFFNMYNVWID-WMLDXEAASA-N 0 3 275.392 2.702 20 30 CFEDHN C[C@H](CN1CCCC1=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594494762 349429530 /nfs/dbraw/zinc/42/95/30/349429530.db2.gz FRGJGTRCQAEMAA-CQSZACIVSA-N 0 3 299.418 2.588 20 30 CFEDHN C[C@H](CCNCc1ccc(C(C)(C)C#N)cc1)[S@](C)=O ZINC000594497921 349430965 /nfs/dbraw/zinc/43/09/65/349430965.db2.gz LJAUPFYYSVEMCX-XCLFUZPHSA-N 0 3 292.448 2.734 20 30 CFEDHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1cccc(C#N)c1 ZINC000597061052 350022941 /nfs/dbraw/zinc/02/29/41/350022941.db2.gz IXAHGVSLXHXKBI-XZJROXQQSA-N 0 3 256.349 2.776 20 30 CFEDHN C[C@@H]1[C@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597086859 350027789 /nfs/dbraw/zinc/02/77/89/350027789.db2.gz BXTIPKFGEHUEES-CABCVRRESA-N 0 3 283.419 2.766 20 30 CFEDHN C[C@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594425704 349417542 /nfs/dbraw/zinc/41/75/42/349417542.db2.gz LWSJOIQAEDIYDH-AAEUAGOBSA-N 0 3 291.420 2.605 20 30 CFEDHN Cc1ccc([C@H](C)N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594429386 349419411 /nfs/dbraw/zinc/41/94/11/349419411.db2.gz SUIYQJIHIAMHKN-GOEBONIOSA-N 0 3 287.407 2.926 20 30 CFEDHN COc1c(C)ccc(NC(=O)[C@@H](N)CCCCC#N)c1C ZINC000594428630 349419640 /nfs/dbraw/zinc/41/96/40/349419640.db2.gz NKFXWOPXRWBPME-ZDUSSCGKSA-N 0 3 289.379 2.662 20 30 CFEDHN CC(C)Oc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594429643 349419676 /nfs/dbraw/zinc/41/96/76/349419676.db2.gz VDCGUDFNUJJRAE-ZDUSSCGKSA-N 0 3 289.379 2.824 20 30 CFEDHN CCOc1cc(C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594428624 349419927 /nfs/dbraw/zinc/41/99/27/349419927.db2.gz NHPDNFVOLPBPFR-CYBMUJFWSA-N 0 3 289.379 2.744 20 30 CFEDHN Cc1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594429387 349419953 /nfs/dbraw/zinc/41/99/53/349419953.db2.gz SUIYQJIHIAMHKN-HOCLYGCPSA-N 0 3 287.407 2.926 20 30 CFEDHN COc1c(C)ccc(NC(=O)[C@H](N)CCCCC#N)c1C ZINC000594428628 349420149 /nfs/dbraw/zinc/42/01/49/349420149.db2.gz NKFXWOPXRWBPME-CYBMUJFWSA-N 0 3 289.379 2.662 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000594431675 349420639 /nfs/dbraw/zinc/42/06/39/349420639.db2.gz PODWIPKELJRYLC-LSDHHAIUSA-N 0 3 277.412 2.579 20 30 CFEDHN CCS[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594433335 349420903 /nfs/dbraw/zinc/42/09/03/349420903.db2.gz NVNUAROKKPQBIS-MELADBBJSA-N 0 3 297.468 2.578 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594431116 349420997 /nfs/dbraw/zinc/42/09/97/349420997.db2.gz HUDAHQNPFUXIMB-FPCVCCKLSA-N 0 3 293.455 2.975 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594434596 349421508 /nfs/dbraw/zinc/42/15/08/349421508.db2.gz PWIBVNWEYNZZJD-HOCLYGCPSA-N 0 3 287.407 2.892 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594434840 349421616 /nfs/dbraw/zinc/42/16/16/349421616.db2.gz UYBZIZFGUGWDGW-KFWWJZLASA-N 0 3 279.428 2.730 20 30 CFEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CC1(C#N)CCCCC1 ZINC000597257013 350074514 /nfs/dbraw/zinc/07/45/14/350074514.db2.gz ZVSCEEBHRAUBEC-OAHLLOKOSA-N 0 3 291.439 2.651 20 30 CFEDHN C=CC(C)(C)CNCc1cc(C)c(C(=O)OC)o1 ZINC000597137888 350037081 /nfs/dbraw/zinc/03/70/81/350037081.db2.gz HILOJFMDYZIINN-UHFFFAOYSA-N 0 3 251.326 2.676 20 30 CFEDHN COC(=O)CC(C)(C)C[C@@H](C)NCC1(C#N)CCC1 ZINC000597152435 350039477 /nfs/dbraw/zinc/03/94/77/350039477.db2.gz APHICPWFTSSTEA-GFCCVEGCSA-N 0 3 266.385 2.638 20 30 CFEDHN N#CC1(c2ccc(CN3C[C@@H]4C[C@H]3CS4)cc2)CC1 ZINC000597150465 350039618 /nfs/dbraw/zinc/03/96/18/350039618.db2.gz CDIAUQYPCDNIMW-GJZGRUSLSA-N 0 3 270.401 2.931 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597205794 350055334 /nfs/dbraw/zinc/05/53/34/350055334.db2.gz JNIXRWMIBUBCDA-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN N#Cc1cnn2cc(CN3CCC[C@@H](C4CCC4)C3)cnc12 ZINC000597227278 350062971 /nfs/dbraw/zinc/06/29/71/350062971.db2.gz CGTKKAFMHAJDQO-OAHLLOKOSA-N 0 3 295.390 2.613 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000597539444 350110044 /nfs/dbraw/zinc/11/00/44/350110044.db2.gz SGQUNNFXVJVVKN-MAUKXSAKSA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@H](C)CC#N)c1 ZINC000597447430 350098342 /nfs/dbraw/zinc/09/83/42/350098342.db2.gz UTJRNGAPMCUEFU-GFCCVEGCSA-N 0 3 259.353 2.545 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCCOCCC=C)cc1 ZINC000090883958 180052735 /nfs/dbraw/zinc/05/27/35/180052735.db2.gz RHOMNUAYEXATDV-HNNXBMFYSA-N 0 3 273.376 2.942 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000090884045 180053132 /nfs/dbraw/zinc/05/31/32/180053132.db2.gz XLXUKAZILNGDGG-CYBMUJFWSA-N 0 3 251.374 2.707 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000090883844 180053182 /nfs/dbraw/zinc/05/31/82/180053182.db2.gz RHOVYZBEHJOTLF-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN N#CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000597907610 350154617 /nfs/dbraw/zinc/15/46/17/350154617.db2.gz FWIXHFKBBMIEIT-GOEBONIOSA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000597948525 350160383 /nfs/dbraw/zinc/16/03/83/350160383.db2.gz OTQYJGVIIRWZMY-LBPRGKRZSA-N 0 3 256.349 2.509 20 30 CFEDHN CCN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000597946935 350160489 /nfs/dbraw/zinc/16/04/89/350160489.db2.gz SSPROGUYFXRQFN-DLBZAZTESA-N 0 3 299.418 2.627 20 30 CFEDHN CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCN(C)C1 ZINC000597946936 350160589 /nfs/dbraw/zinc/16/05/89/350160589.db2.gz SSPROGUYFXRQFN-IAGOWNOFSA-N 0 3 299.418 2.627 20 30 CFEDHN C[C@H]1C[C@@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000271271322 191041995 /nfs/dbraw/zinc/04/19/95/191041995.db2.gz CMVXXTGEFIUIII-AAEUAGOBSA-N 0 3 262.328 2.602 20 30 CFEDHN C=CCCSCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000597968160 350164501 /nfs/dbraw/zinc/16/45/01/350164501.db2.gz DFYUHTBRAGJXJF-HNNXBMFYSA-N 0 3 296.480 2.819 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1F ZINC000598197360 350211832 /nfs/dbraw/zinc/21/18/32/350211832.db2.gz VWSQMSXXZYAJPR-GXFFZTMASA-N 0 3 276.311 2.657 20 30 CFEDHN CCN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@@H](C)C#N ZINC000598356525 350245783 /nfs/dbraw/zinc/24/57/83/350245783.db2.gz QOTANLBMPFPPRT-HNNXBMFYSA-N 0 3 299.418 2.659 20 30 CFEDHN CC(C)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598381886 350253862 /nfs/dbraw/zinc/25/38/62/350253862.db2.gz RFIREJOBVANSAH-DLBZAZTESA-N 0 3 295.386 2.791 20 30 CFEDHN C[C@]1(C#N)CCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000598409650 350260780 /nfs/dbraw/zinc/26/07/80/350260780.db2.gz IKTCMYOZCMFWJL-GOSISDBHSA-N 0 3 297.402 2.658 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000598620457 350295870 /nfs/dbraw/zinc/29/58/70/350295870.db2.gz AGJSBCCOVRSVDS-VXGBXAGGSA-N 0 3 292.345 2.952 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCc2c1cccc2F ZINC000598699467 350312149 /nfs/dbraw/zinc/31/21/49/350312149.db2.gz FCKNUXZGDJUMFM-XHDPSFHLSA-N 0 3 276.355 2.703 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1cccc(Cl)c1 ZINC000598704141 350313379 /nfs/dbraw/zinc/31/33/79/350313379.db2.gz MBKXMIPBXBVOQK-CYBMUJFWSA-N 0 3 266.772 2.730 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCc2occc21 ZINC000598713749 350315959 /nfs/dbraw/zinc/31/59/59/350315959.db2.gz CRGWJJZOSNYTBS-YPMHNXCESA-N 0 3 262.353 2.547 20 30 CFEDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)CC(C)(C)C#N)o1 ZINC000598721725 350318546 /nfs/dbraw/zinc/31/85/46/350318546.db2.gz YQGUNWLLIJKVBF-YRGRVCCFSA-N 0 3 276.380 2.793 20 30 CFEDHN COc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1C ZINC000598589295 350287462 /nfs/dbraw/zinc/28/74/62/350287462.db2.gz HTEAVHJQIAFVQL-OAHLLOKOSA-N 0 3 290.407 2.736 20 30 CFEDHN CN(Cc1ccc(F)c(F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598591053 350287550 /nfs/dbraw/zinc/28/75/50/350287550.db2.gz YQJFLABLXXQAIP-LBPRGKRZSA-N 0 3 282.334 2.697 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](c2ccccc2F)C1 ZINC000598590394 350287666 /nfs/dbraw/zinc/28/76/66/350287666.db2.gz XQZYLZCHKODZLT-ZIAGYGMSSA-N 0 3 290.382 2.916 20 30 CFEDHN C[C@H](c1cccc(O)c1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598596667 350290011 /nfs/dbraw/zinc/29/00/11/350290011.db2.gz SARLATRXQYNYQR-IUODEOHRSA-N 0 3 276.380 2.686 20 30 CFEDHN C[C@@H]1COc2ccccc2CN1C[C@H](O)CC(C)(C)C#N ZINC000598600937 350290928 /nfs/dbraw/zinc/29/09/28/350290928.db2.gz CCZLMCHGPKGNDS-UKRRQHHQSA-N 0 3 288.391 2.570 20 30 CFEDHN COc1cccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598600204 350291081 /nfs/dbraw/zinc/29/10/81/350291081.db2.gz ICWUMJJHLPFVJA-TZMCWYRMSA-N 0 3 276.380 2.647 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H](O)CC(C)(C)C#N ZINC000598601654 350292152 /nfs/dbraw/zinc/29/21/52/350292152.db2.gz LQQQZZZOKNEYAU-CQSZACIVSA-N 0 3 276.380 2.611 20 30 CFEDHN Cc1cc(C)c2c(c1)CN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598606327 350292952 /nfs/dbraw/zinc/29/29/52/350292952.db2.gz CUKSAANGOHPUCX-INIZCTEOSA-N 0 3 286.419 2.962 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC(=O)C(C)C(F)(F)F)n1 ZINC000598852582 350340260 /nfs/dbraw/zinc/34/02/60/350340260.db2.gz IGBHHGAUARKNSP-MRVPVSSYSA-N 0 3 271.242 2.707 20 30 CFEDHN CN(C)c1c(F)c(F)ccc1CNCCCCC#N ZINC000598962238 350349508 /nfs/dbraw/zinc/34/95/08/350349508.db2.gz FUGJOTKQJYSCBD-UHFFFAOYSA-N 0 3 267.323 2.814 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2Cc3ccccc3CO2)c1 ZINC000598989967 350355529 /nfs/dbraw/zinc/35/55/29/350355529.db2.gz XSDQPHARBSDMHA-HNNXBMFYSA-N 0 3 284.384 2.851 20 30 CFEDHN CC1(C)CCC[C@@](CO)(NCc2ccc(C#N)o2)C1 ZINC000598995070 350356563 /nfs/dbraw/zinc/35/65/63/350356563.db2.gz OSQSGZSFOWLUOZ-OAHLLOKOSA-N 0 3 262.353 2.572 20 30 CFEDHN N#CC1(c2ccc(CN[C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000599010125 350358333 /nfs/dbraw/zinc/35/83/33/350358333.db2.gz PSYAUPGOEOELEN-SJORKVTESA-N 0 3 282.387 2.899 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)o1 ZINC000599277418 350405441 /nfs/dbraw/zinc/40/54/41/350405441.db2.gz HFAJGRJJKHJCJR-OAHLLOKOSA-N 0 3 296.374 2.938 20 30 CFEDHN N#Cc1cnc(NC[C@H]2CCN2C2CCCCC2)c(F)c1 ZINC000599127945 350381136 /nfs/dbraw/zinc/38/11/36/350381136.db2.gz RGIQJIPFFGIQKC-CQSZACIVSA-N 0 3 288.370 2.911 20 30 CFEDHN N#Cc1cnc(NC[C@@H]2CCN2C2CCCC2)c(F)c1 ZINC000599163570 350387622 /nfs/dbraw/zinc/38/76/22/350387622.db2.gz DQZJKEYBFANAMX-ZDUSSCGKSA-N 0 3 274.343 2.521 20 30 CFEDHN CCO[C@@H](CN(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000599259941 350401529 /nfs/dbraw/zinc/40/15/29/350401529.db2.gz SCNVQOLEEBWUNZ-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN Cc1ccc(CN2CCN(C3CCCC3)CC2)cc1C#N ZINC000599265872 350402633 /nfs/dbraw/zinc/40/26/33/350402633.db2.gz ZPCKUXIECNAUNU-UHFFFAOYSA-N 0 3 283.419 2.927 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C)c(C#N)c1 ZINC000599433252 350436861 /nfs/dbraw/zinc/43/68/61/350436861.db2.gz ONZNZRMQRHBVMQ-CVEARBPZSA-N 0 3 286.375 2.688 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2C2(O)CC2)cc1C#N ZINC000599437828 350438602 /nfs/dbraw/zinc/43/86/02/350438602.db2.gz RPYZLECAVAVFPA-MRXNPFEDSA-N 0 3 270.376 2.746 20 30 CFEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(F)c1F ZINC000599352559 350421405 /nfs/dbraw/zinc/42/14/05/350421405.db2.gz CUCYLJMIJICCNG-WDEREUQCSA-N 0 3 280.318 2.670 20 30 CFEDHN Cc1cnc([C@@H](NC[C@H](O)CC2(C#N)CC2)C2CC2)s1 ZINC000599358949 350423379 /nfs/dbraw/zinc/42/33/79/350423379.db2.gz JZQFYGQDUNGNAK-OLZOCXBDSA-N 0 3 291.420 2.547 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599398562 350430629 /nfs/dbraw/zinc/43/06/29/350430629.db2.gz ZDOHHFQEICNEIV-CZUORRHYSA-N 0 3 258.365 2.866 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599398561 350431035 /nfs/dbraw/zinc/43/10/35/350431035.db2.gz ZDOHHFQEICNEIV-CJNGLKHVSA-N 0 3 258.365 2.866 20 30 CFEDHN Cc1noc([C@@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599409840 350431815 /nfs/dbraw/zinc/43/18/15/350431815.db2.gz VYAPLFDWNZRELA-CQSZACIVSA-N 0 3 282.347 2.548 20 30 CFEDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599404922 350431865 /nfs/dbraw/zinc/43/18/65/350431865.db2.gz RFPGXBLNELKAKX-QGZVFWFLSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@H]1CN(CCCCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590193 350461038 /nfs/dbraw/zinc/46/10/38/350461038.db2.gz VSTFRUFQIVFPRI-UONOGXRCSA-N 0 3 280.412 2.980 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(C#N)ccc1F ZINC000599627620 350467002 /nfs/dbraw/zinc/46/70/02/350467002.db2.gz XZKVDXIVQMOEIA-ZVXAKGHKSA-N 0 3 262.328 2.599 20 30 CFEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCCCO1)C2 ZINC000599676470 350480048 /nfs/dbraw/zinc/48/00/48/350480048.db2.gz SECDOQHKODKBGH-INIZCTEOSA-N 0 3 270.376 2.680 20 30 CFEDHN C[C@@H]1CC[C@@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000599679432 350481120 /nfs/dbraw/zinc/48/11/20/350481120.db2.gz ZYNBOINWFIPNCQ-CJNGLKHVSA-N 0 3 270.376 2.678 20 30 CFEDHN N#CCc1cccc2c1CCN(CC[C@@H]1CCCO1)C2 ZINC000599679104 350481179 /nfs/dbraw/zinc/48/11/79/350481179.db2.gz WDAWCSFWZYSQHU-INIZCTEOSA-N 0 3 270.376 2.680 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000600099369 350508376 /nfs/dbraw/zinc/50/83/76/350508376.db2.gz NHKWKDUMGZELDJ-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN COC(=O)CC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000600174024 350531020 /nfs/dbraw/zinc/53/10/20/350531020.db2.gz RTUNFPXXJBTVJJ-UHFFFAOYSA-N 0 3 278.396 2.782 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000152899058 539801309 /nfs/dbraw/zinc/80/13/09/539801309.db2.gz YITWAPSEDPCJPX-OAGGEKHMSA-N 0 3 259.349 2.661 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N(C1CC1)C1CC1 ZINC000600361792 350550686 /nfs/dbraw/zinc/55/06/86/350550686.db2.gz XCDKMUPLRACZRU-CQSZACIVSA-N 0 3 268.360 2.912 20 30 CFEDHN Cc1ncccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000600390100 350552437 /nfs/dbraw/zinc/55/24/37/350552437.db2.gz OIUCOPXAUDOKTB-MRXNPFEDSA-N 0 3 293.370 2.779 20 30 CFEDHN CCOCCN(C(=O)C(C)C#N)[C@H]1CCc2ccccc21 ZINC000600449777 350556242 /nfs/dbraw/zinc/55/62/42/350556242.db2.gz VYFJSYOVLZXBCR-BBRMVZONSA-N 0 3 286.375 2.699 20 30 CFEDHN Cc1ccc(CN2CCNCc3ccccc32)cc1C#N ZINC000600707334 350598193 /nfs/dbraw/zinc/59/81/93/350598193.db2.gz YGTMQAZSHXNQSL-UHFFFAOYSA-N 0 3 277.371 2.977 20 30 CFEDHN C=CCN(C[C@@H](O)COCc1ccccc1Cl)C1CC1 ZINC000271389593 191112682 /nfs/dbraw/zinc/11/26/82/191112682.db2.gz JUHOUFFTVJNUEX-OAHLLOKOSA-N 0 3 295.810 2.868 20 30 CFEDHN N#Cc1ccc(-c2cccc([C@H]3CNCCO3)c2)s1 ZINC000600776538 350609187 /nfs/dbraw/zinc/60/91/87/350609187.db2.gz NYDBOIJWWLBHPT-CQSZACIVSA-N 0 3 270.357 2.948 20 30 CFEDHN Cc1ccc(-c2ccc(N3CCNCC3)cc2)cc1C#N ZINC000600791833 350612666 /nfs/dbraw/zinc/61/26/66/350612666.db2.gz IKMXUXQSKTZGAQ-UHFFFAOYSA-N 0 3 277.371 2.943 20 30 CFEDHN CN1CCC(n2cc(NCc3ccc(C#N)cc3)cn2)CC1 ZINC000601149610 350682141 /nfs/dbraw/zinc/68/21/41/350682141.db2.gz OVIVVGMKDKCAGC-UHFFFAOYSA-N 0 3 295.390 2.634 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccccc1CC#N ZINC000601670636 350756688 /nfs/dbraw/zinc/75/66/88/350756688.db2.gz GNOVSFMJQPYBSQ-OAHLLOKOSA-N 0 3 299.418 2.603 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3c2CCOC3)C1 ZINC000601303747 350720253 /nfs/dbraw/zinc/72/02/53/350720253.db2.gz HTYKDZOCOIRZHU-CJNGLKHVSA-N 0 3 270.376 2.931 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)cc1F ZINC000601698952 350763601 /nfs/dbraw/zinc/76/36/01/350763601.db2.gz AFALWXBZYDEDFG-QMMMGPOBSA-N 0 3 299.143 2.706 20 30 CFEDHN CN(C)CCN(C)c1ccc(C(F)(F)F)cc1C#N ZINC000111138208 186357308 /nfs/dbraw/zinc/35/73/08/186357308.db2.gz XSXSFBYMZSTXJH-UHFFFAOYSA-N 0 3 271.286 2.575 20 30 CFEDHN CN(C)CCN(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000111138212 186357389 /nfs/dbraw/zinc/35/73/89/186357389.db2.gz NWRNJNNBXJBNKP-UHFFFAOYSA-N 0 3 271.286 2.575 20 30 CFEDHN N#CCCN[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601970067 350821812 /nfs/dbraw/zinc/82/18/12/350821812.db2.gz WWUWGVCCHCTKOT-KRWDZBQOSA-N 0 3 271.408 2.934 20 30 CFEDHN CN(Cc1ccc(C#N)cc1F)CC1CCOCC1 ZINC000111162904 186364188 /nfs/dbraw/zinc/36/41/88/186364188.db2.gz OCEFIOHCVQMULT-UHFFFAOYSA-N 0 3 262.328 2.556 20 30 CFEDHN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)C(C)C#N ZINC000601836464 350790611 /nfs/dbraw/zinc/79/06/11/350790611.db2.gz NSNCQSIFYVRSFE-XJKSGUPXSA-N 0 3 258.365 2.920 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000601875284 350796233 /nfs/dbraw/zinc/79/62/33/350796233.db2.gz VJTLAKPRUIJUDP-GVXVVHGQSA-N 0 3 260.362 2.586 20 30 CFEDHN Cc1ccc(CN2CC[C@H](NC(=O)CC(C)(C)C#N)C2)cc1 ZINC000601881414 350797575 /nfs/dbraw/zinc/79/75/75/350797575.db2.gz MFVBEMJIHBYEFZ-INIZCTEOSA-N 0 3 299.418 2.625 20 30 CFEDHN C=CCCC(C)(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000601934245 350807134 /nfs/dbraw/zinc/80/71/34/350807134.db2.gz LGFFELOIKKDBPN-HNNXBMFYSA-N 0 3 285.391 2.667 20 30 CFEDHN COCCC1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602012195 350830682 /nfs/dbraw/zinc/83/06/82/350830682.db2.gz KIUQAGXAFPINFL-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000602011517 350830776 /nfs/dbraw/zinc/83/07/76/350830776.db2.gz HIDSVJOWPMYTCZ-APHBMKBZSA-N 0 3 274.339 2.745 20 30 CFEDHN CC(C)[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015801 350832465 /nfs/dbraw/zinc/83/24/65/350832465.db2.gz QQGABFHYKUFDAQ-BBRMVZONSA-N 0 3 276.355 2.991 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CC1(F)F ZINC000602029743 350835874 /nfs/dbraw/zinc/83/58/74/350835874.db2.gz XCUXPKIJCKUBDQ-SNVBAGLBSA-N 0 3 254.255 2.832 20 30 CFEDHN CN(CCNCc1cccc(F)c1C#N)Cc1ccccc1 ZINC000602002837 350827587 /nfs/dbraw/zinc/82/75/87/350827587.db2.gz BPLLSJBVAODTTJ-UHFFFAOYSA-N 0 3 297.377 2.919 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(c2cccs2)CC1 ZINC000602477029 350898679 /nfs/dbraw/zinc/89/86/79/350898679.db2.gz OVKWPLGGMPCREO-CYBMUJFWSA-N 0 3 263.410 2.810 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000602479327 350899659 /nfs/dbraw/zinc/89/96/59/350899659.db2.gz ILJCCYUUMKTTLT-JQWIXIFHSA-N 0 3 278.318 2.561 20 30 CFEDHN CC[C@H](NC[C@H](C)CCC#N)c1nnc2n1CCCCC2 ZINC000602527152 350915312 /nfs/dbraw/zinc/91/53/12/350915312.db2.gz LRDPOPSUJVCWQA-KGLIPLIRSA-N 0 3 289.427 2.985 20 30 CFEDHN COc1cc(C[C@H](C)NCc2ccc(C#N)cc2F)ccn1 ZINC000602540479 350918494 /nfs/dbraw/zinc/91/84/94/350918494.db2.gz ZIDDEGITMWKQQZ-LBPRGKRZSA-N 0 3 299.349 2.822 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)N(C)Cc1ccccc1 ZINC000602550526 350921218 /nfs/dbraw/zinc/92/12/18/350921218.db2.gz KDRVUMKGWJTVPN-OAHLLOKOSA-N 0 3 294.402 2.563 20 30 CFEDHN CS[C@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602551964 350922113 /nfs/dbraw/zinc/92/21/13/350922113.db2.gz QATXAGIDXDUYLS-FZMZJTMJSA-N 0 3 261.394 2.717 20 30 CFEDHN COC[C@H](NC1CCC(C#N)CC1)c1ccc(C)o1 ZINC000602566438 350926557 /nfs/dbraw/zinc/92/65/57/350926557.db2.gz YCNPAEJQSUWVRT-RUXDESIVSA-N 0 3 262.353 2.948 20 30 CFEDHN C[C@@H](O)C[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602569188 350928677 /nfs/dbraw/zinc/92/86/77/350928677.db2.gz OVBUYPITMKOHGB-ZBFHGGJFSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000602572197 350929306 /nfs/dbraw/zinc/92/93/06/350929306.db2.gz YYFKMNWFWCFGRG-KGLIPLIRSA-N 0 3 283.379 2.858 20 30 CFEDHN CCOCCC1(CNCc2cccc(C#N)n2)CCC1 ZINC000602571731 350929456 /nfs/dbraw/zinc/92/94/56/350929456.db2.gz CTKIFCCPXMLCDX-UHFFFAOYSA-N 0 3 273.380 2.640 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cccc(C#N)n1 ZINC000602572895 350929471 /nfs/dbraw/zinc/92/94/71/350929471.db2.gz UOJHJYDJSBZVGE-LSDHHAIUSA-N 0 3 273.380 2.637 20 30 CFEDHN CC(C)c1nnc([C@H](C)[NH2+]C2CCC(C#N)CC2)[n-]1 ZINC000602578168 350932061 /nfs/dbraw/zinc/93/20/61/350932061.db2.gz KKBWRDOQSNJUHT-UNXYVOJBSA-N 0 3 261.373 2.661 20 30 CFEDHN CC(C)c1nnc([C@H](C)NC2CCC(C#N)CC2)[nH]1 ZINC000602578168 350932066 /nfs/dbraw/zinc/93/20/66/350932066.db2.gz KKBWRDOQSNJUHT-UNXYVOJBSA-N 0 3 261.373 2.661 20 30 CFEDHN CCC1(CC)[C@H](NCc2cccc(C#N)n2)[C@@H](C)[C@@H]1OC ZINC000602582819 350934638 /nfs/dbraw/zinc/93/46/38/350934638.db2.gz OWWOQEVXRHHLBQ-WQVCFCJDSA-N 0 3 287.407 2.883 20 30 CFEDHN Cc1cccc(C)c1NC(=O)CNC[C@@H](C)CCC#N ZINC000602590992 350937776 /nfs/dbraw/zinc/93/77/76/350937776.db2.gz FEXGVMKZBVKPGG-LBPRGKRZSA-N 0 3 273.380 2.771 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(c2ccccc2)CC1 ZINC000602429603 350879290 /nfs/dbraw/zinc/87/92/90/350879290.db2.gz PYRCBQQRIRVLGY-HNNXBMFYSA-N 0 3 257.381 2.748 20 30 CFEDHN CC(C)C1(CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000602441594 350885181 /nfs/dbraw/zinc/88/51/81/350885181.db2.gz NXONRICROQKZOP-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN C[C@H](CCC#N)CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000602444495 350885804 /nfs/dbraw/zinc/88/58/04/350885804.db2.gz OGDQLQWJMGBVPD-MRXNPFEDSA-N 0 3 299.418 2.774 20 30 CFEDHN COCCN(CCC[C@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602445921 350886420 /nfs/dbraw/zinc/88/64/20/350886420.db2.gz YRWSJWNRVRSTNW-KRWDZBQOSA-N 0 3 288.391 2.576 20 30 CFEDHN C[C@H](CCC#N)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000602446238 350886455 /nfs/dbraw/zinc/88/64/55/350886455.db2.gz ZMZIFCDWCJKRTB-NEPJUHHUSA-N 0 3 278.318 2.970 20 30 CFEDHN Cc1cccn2cc(CNC[C@H](C)CCC#N)nc12 ZINC000602593995 350938820 /nfs/dbraw/zinc/93/88/20/350938820.db2.gz NUUZEBMVTJKKBC-GFCCVEGCSA-N 0 3 256.353 2.672 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000602651379 350961988 /nfs/dbraw/zinc/96/19/88/350961988.db2.gz IGCYPLSRETXXPS-AEFFLSMTSA-N 0 3 285.435 2.785 20 30 CFEDHN C[C@H](CCC#N)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000602673730 350971571 /nfs/dbraw/zinc/97/15/71/350971571.db2.gz BRKIXNJLAGAYHG-DGCLKSJQSA-N 0 3 266.776 2.723 20 30 CFEDHN CC1(C)CN(Cc2cccc(C#N)n2)[C@H]2CCC[C@H]21 ZINC000602675716 350972862 /nfs/dbraw/zinc/97/28/62/350972862.db2.gz ISGYIIJLVWQNEH-CABCVRRESA-N 0 3 255.365 2.964 20 30 CFEDHN CC(C)[C@@H](NCc1cccc(C#N)n1)C1(CO)CCCC1 ZINC000602687216 350979538 /nfs/dbraw/zinc/97/95/38/350979538.db2.gz HUQHYHYMZSJULN-MRXNPFEDSA-N 0 3 287.407 2.620 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@@H](C)OC2(CCCC2)C1 ZINC000602703611 350988899 /nfs/dbraw/zinc/98/88/99/350988899.db2.gz RBNPBNAHYFOVOU-ZIAGYGMSSA-N 0 3 250.386 2.960 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](c3ccc(O)cc3)C2)n1 ZINC000602731719 351004786 /nfs/dbraw/zinc/00/47/86/351004786.db2.gz XMSDWFIMUQQWAL-AWEZNQCLSA-N 0 3 279.343 2.648 20 30 CFEDHN N#CC1CCC([NH2+][C@@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000602611202 350945121 /nfs/dbraw/zinc/94/51/21/350945121.db2.gz DHEBCQIFXCWYHE-PESDSKBTSA-N 0 3 281.363 2.566 20 30 CFEDHN N#CC1CCC(N[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000602611202 350945125 /nfs/dbraw/zinc/94/51/25/350945125.db2.gz DHEBCQIFXCWYHE-PESDSKBTSA-N 0 3 281.363 2.566 20 30 CFEDHN CC(C)O[C@@H]1C[C@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602615506 350947156 /nfs/dbraw/zinc/94/71/56/350947156.db2.gz DHMHAZXXZHLEOH-LSDHHAIUSA-N 0 3 273.380 2.635 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)CO1 ZINC000602761027 351015738 /nfs/dbraw/zinc/01/57/38/351015738.db2.gz UCFMAFXUDKOCRI-HNNXBMFYSA-N 0 3 258.365 2.805 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCc2ncnn21 ZINC000602764839 351017287 /nfs/dbraw/zinc/01/72/87/351017287.db2.gz ZOSMBRKRQTYEJX-MRXNPFEDSA-N 0 3 295.390 2.549 20 30 CFEDHN COC(=O)CCN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602769603 351019184 /nfs/dbraw/zinc/01/91/84/351019184.db2.gz HFUCLJBVSAFMBC-UHFFFAOYSA-N 0 3 286.375 2.746 20 30 CFEDHN CO[C@]1(C)C[C@@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602786509 351024817 /nfs/dbraw/zinc/02/48/17/351024817.db2.gz QTKCHRLTZZOTIG-TZMCWYRMSA-N 0 3 250.386 2.816 20 30 CFEDHN COC(=O)[C@@H](C)[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602792233 351027160 /nfs/dbraw/zinc/02/71/60/351027160.db2.gz IPURCMSBMGLFSH-ZFWWWQNUSA-N 0 3 286.375 2.820 20 30 CFEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CC1(CC#N)CC1 ZINC000602799986 351031029 /nfs/dbraw/zinc/03/10/29/351031029.db2.gz SSEQPSILNDBWAG-ZDUSSCGKSA-N 0 3 258.369 2.857 20 30 CFEDHN N#CCC1(CN[C@@H](CCCO)c2ccccc2)CC1 ZINC000602805376 351032879 /nfs/dbraw/zinc/03/28/79/351032879.db2.gz LIMIXTAHHZLTGB-HNNXBMFYSA-N 0 3 258.365 2.784 20 30 CFEDHN N#CCC1(CN2CCSC[C@@H]2C2CCC2)CC1 ZINC000602846111 351043848 /nfs/dbraw/zinc/04/38/48/351043848.db2.gz MERCVRCYUABRGB-CYBMUJFWSA-N 0 3 250.411 2.898 20 30 CFEDHN C[C@@H]1CCN(CC2(CC#N)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000602857421 351047698 /nfs/dbraw/zinc/04/76/98/351047698.db2.gz WQCZNVWAWJRXOH-KGLIPLIRSA-N 0 3 292.423 2.980 20 30 CFEDHN CCc1ccccc1CCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854701 351047785 /nfs/dbraw/zinc/04/77/85/351047785.db2.gz QHFKMVVXYCZTBX-IYBDPMFKSA-N 0 3 285.435 2.710 20 30 CFEDHN N#CCCCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602880724 351056166 /nfs/dbraw/zinc/05/61/66/351056166.db2.gz BZVCVLLPMKLYSS-AWEZNQCLSA-N 0 3 266.348 2.723 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602882215 351057444 /nfs/dbraw/zinc/05/74/44/351057444.db2.gz SUVOCEXMISVCCS-MRXNPFEDSA-N 0 3 266.348 2.661 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](n2ccnn2)CC1 ZINC000602889769 351058609 /nfs/dbraw/zinc/05/86/09/351058609.db2.gz VCQZSTRURCFRTH-YOEHRIQHSA-N 0 3 295.390 2.938 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccnn2)CC1 ZINC000602889768 351058629 /nfs/dbraw/zinc/05/86/29/351058629.db2.gz VCQZSTRURCFRTH-WMLDXEAASA-N 0 3 295.390 2.938 20 30 CFEDHN CCSCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907041 351062414 /nfs/dbraw/zinc/06/24/14/351062414.db2.gz KXWGCAOMYFOTRR-UHFFFAOYSA-N 0 3 275.421 2.886 20 30 CFEDHN C[C@H]1CN(CC2(CC#N)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602916227 351063844 /nfs/dbraw/zinc/06/38/44/351063844.db2.gz MAPJMTSQTQDBSM-KBPBESRZSA-N 0 3 292.423 2.980 20 30 CFEDHN CC(C)[C@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748205 351013054 /nfs/dbraw/zinc/01/30/54/351013054.db2.gz LODSIVQXHFTEPH-SFHVURJKSA-N 0 3 285.435 2.957 20 30 CFEDHN CN(CCCN(C)[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602981020 351082146 /nfs/dbraw/zinc/08/21/46/351082146.db2.gz YRGHMWOTBZLOOM-QBPKDAKJSA-N 0 3 288.439 2.625 20 30 CFEDHN CCC[C@H](N)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603242481 351124611 /nfs/dbraw/zinc/12/46/11/351124611.db2.gz IEQZWYNEICGJME-ZDUSSCGKSA-N 0 3 289.770 2.651 20 30 CFEDHN CC[C@]1(O)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000602983854 351084349 /nfs/dbraw/zinc/08/43/49/351084349.db2.gz VSTCCPIIAVIXJY-BBRMVZONSA-N 0 3 258.365 2.856 20 30 CFEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991601 351086602 /nfs/dbraw/zinc/08/66/02/351086602.db2.gz JGVWCRYENKDIBD-VHSXEESVSA-N 0 3 259.309 2.876 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997879 351089284 /nfs/dbraw/zinc/08/92/84/351089284.db2.gz SMLLWJFSMISKAC-BBWFWOEESA-N 0 3 270.376 2.684 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000602998366 351089536 /nfs/dbraw/zinc/08/95/36/351089536.db2.gz KQCSBQWRSWGLPW-RDBSUJKOSA-N 0 3 278.396 2.732 20 30 CFEDHN C[C@]1(C2CCCCC2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000603030952 351092612 /nfs/dbraw/zinc/09/26/12/351092612.db2.gz YNBOICDRIWPGKU-MRXNPFEDSA-N 0 3 289.423 2.594 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@H](C)C(C)(C)C ZINC000603056903 351096691 /nfs/dbraw/zinc/09/66/91/351096691.db2.gz XCKXPFSYCRWAHG-BBRMVZONSA-N 0 3 281.444 2.655 20 30 CFEDHN CCN1CCC(Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603276132 351128586 /nfs/dbraw/zinc/12/85/86/351128586.db2.gz WWGBVAIZACHVAS-UHFFFAOYSA-N 0 3 295.390 2.640 20 30 CFEDHN C[C@H]1C[C@H](Nc2c(C#N)cnn2-c2ccccc2)CCN1C ZINC000603295766 351132558 /nfs/dbraw/zinc/13/25/58/351132558.db2.gz GMTVFTPZVONUAY-DZGCQCFKSA-N 0 3 295.390 2.639 20 30 CFEDHN CN(C(=O)CCNCc1cccc(C#N)c1)c1ccccc1 ZINC000604459841 351213771 /nfs/dbraw/zinc/21/37/71/351213771.db2.gz XJMWNYKTVQULHF-UHFFFAOYSA-N 0 3 293.370 2.701 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccco2)CC1 ZINC000607645856 351350811 /nfs/dbraw/zinc/35/08/11/351350811.db2.gz MXQBYJRUCKTOSO-CYBMUJFWSA-N 0 3 276.380 2.540 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)CCOC(C)(C)C ZINC000609540891 351506031 /nfs/dbraw/zinc/50/60/31/351506031.db2.gz HRNSVEVHHKZRGZ-UHFFFAOYSA-N 0 3 276.380 2.684 20 30 CFEDHN C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000610279951 351548222 /nfs/dbraw/zinc/54/82/22/351548222.db2.gz YJMSYFAXJNOKKS-GXSJLCMTSA-N 0 3 264.760 2.501 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)s1 ZINC000610511487 351575676 /nfs/dbraw/zinc/57/56/76/351575676.db2.gz UKQQPJWAVNGALG-LRDDRELGSA-N 0 3 286.400 2.874 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)o1)[C@@H]1CCCCO1 ZINC000610717380 351597613 /nfs/dbraw/zinc/59/76/13/351597613.db2.gz CBUNXHOKEJJMMY-AWEZNQCLSA-N 0 3 262.353 2.836 20 30 CFEDHN N#CCN1CCC(NCc2cccc(Cl)c2F)CC1 ZINC000610741044 351602427 /nfs/dbraw/zinc/60/24/27/351602427.db2.gz JUFRVDBKPQXPJA-UHFFFAOYSA-N 0 3 281.762 2.557 20 30 CFEDHN CC(C)[C@@H]1c2ccccc2CCN1C(=O)C(C)C#N ZINC000610792085 351609682 /nfs/dbraw/zinc/60/96/82/351609682.db2.gz LFRIEHBUPXMRKB-IUODEOHRSA-N 0 3 256.349 2.928 20 30 CFEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccnc(C#N)c1 ZINC000610995181 351632318 /nfs/dbraw/zinc/63/23/18/351632318.db2.gz ULMSRXUSOXHVRI-HOTGVXAUSA-N 0 3 287.407 2.979 20 30 CFEDHN Cc1csc(CCNCc2ccc(C#N)cc2F)n1 ZINC000610946729 351623045 /nfs/dbraw/zinc/62/30/45/351623045.db2.gz NMPQILISXVEGEM-UHFFFAOYSA-N 0 3 275.352 2.795 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](C)Cn2cccn2)cc1 ZINC000271441618 191139026 /nfs/dbraw/zinc/13/90/26/191139026.db2.gz GRZYULVUZPWJCK-CABCVRRESA-N 0 3 283.375 2.634 20 30 CFEDHN CCSCC[C@@H](C)N(C)Cc1ccnc(C#N)c1 ZINC000610994533 351631372 /nfs/dbraw/zinc/63/13/72/351631372.db2.gz GPAJIJQGMXCPIT-GFCCVEGCSA-N 0 3 263.410 2.917 20 30 CFEDHN Cc1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611393148 351681565 /nfs/dbraw/zinc/68/15/65/351681565.db2.gz LJCKDPNNHXZOGY-MRXNPFEDSA-N 0 3 266.348 2.757 20 30 CFEDHN Cn1cc(CCCN[C@H](CCC#N)c2ccccc2)cn1 ZINC000611406926 351684298 /nfs/dbraw/zinc/68/42/98/351684298.db2.gz BZDPOELBCVMXKM-QGZVFWFLSA-N 0 3 282.391 2.987 20 30 CFEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CC2CCC2)CC1 ZINC000611553290 351707739 /nfs/dbraw/zinc/70/77/39/351707739.db2.gz WCPOJQNMCQFALU-KRWDZBQOSA-N 0 3 287.382 2.808 20 30 CFEDHN C=CCOCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611559888 351708789 /nfs/dbraw/zinc/70/87/89/351708789.db2.gz HPVQXYQITAMTOT-GFCCVEGCSA-N 0 3 264.325 2.756 20 30 CFEDHN C[C@@H](NCC[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000611586143 351712052 /nfs/dbraw/zinc/71/20/52/351712052.db2.gz GGCGUZXGIAOZBD-YPMHNXCESA-N 0 3 262.328 2.917 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(CC#N)cc1)CC2 ZINC000612079457 351771035 /nfs/dbraw/zinc/77/10/35/351771035.db2.gz LZYIPJTWXIEEJR-INIZCTEOSA-N 0 3 298.386 2.528 20 30 CFEDHN C[C@H](NCc1ccnc(C#N)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000612530830 351831725 /nfs/dbraw/zinc/83/17/25/351831725.db2.gz OJQHLMBGFRSNJJ-VBHSOAQHSA-N 0 3 293.370 2.996 20 30 CFEDHN CC(C)[C@@H](C(=O)N1CCC[C@](C)(C#N)C1)N1CCCCC1 ZINC000612366696 351808821 /nfs/dbraw/zinc/80/88/21/351808821.db2.gz UIXLCGMALRBYQS-DOTOQJQBSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)[C@H](C(=O)N1CCC[C@](C)(C#N)C1)N1CCCCC1 ZINC000612366697 351809052 /nfs/dbraw/zinc/80/90/52/351809052.db2.gz UIXLCGMALRBYQS-NVXWUHKLSA-N 0 3 291.439 2.649 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1[C@H](C)CC[C@H]1C ZINC000123055347 187068811 /nfs/dbraw/zinc/06/88/11/187068811.db2.gz SVODNDWFKILHTG-CHWSQXEVSA-N 0 3 274.364 2.818 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCC(C)(C)C#N)C1 ZINC000612587969 351840605 /nfs/dbraw/zinc/84/06/05/351840605.db2.gz JDHVLUJFQNOWFO-GOEBONIOSA-N 0 3 271.408 2.961 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000122759060 187050120 /nfs/dbraw/zinc/05/01/20/187050120.db2.gz WPIZDVOOFLQSLO-HNNXBMFYSA-N 0 3 287.407 2.573 20 30 CFEDHN COCCN(Cc1ccc(C#N)s1)CC(C)C ZINC000124114868 187123044 /nfs/dbraw/zinc/12/30/44/187123044.db2.gz CVUZSOZJWXQKBQ-UHFFFAOYSA-N 0 3 252.383 2.724 20 30 CFEDHN CCCC[C@@H](CC)CN1CCN(CCC#N)CC1 ZINC000612823090 351865990 /nfs/dbraw/zinc/86/59/90/351865990.db2.gz NGXAYKIXLYZZIW-OAHLLOKOSA-N 0 3 251.418 2.734 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1 ZINC000123326913 187085212 /nfs/dbraw/zinc/08/52/12/187085212.db2.gz YYIDXVDBGHSKFA-KSSFIOAISA-N 0 3 280.371 2.640 20 30 CFEDHN Cn1cncc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000335184839 282789894 /nfs/dbraw/zinc/78/98/94/282789894.db2.gz QMQNCCOGFQBTDX-KRWDZBQOSA-N 0 3 280.375 2.849 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000123818386 187110450 /nfs/dbraw/zinc/11/04/50/187110450.db2.gz CCNQSJZWEPJZEO-UBULPXNDSA-N 0 3 297.402 2.513 20 30 CFEDHN CN(c1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCCN(C)C1 ZINC000613426121 351956695 /nfs/dbraw/zinc/95/66/95/351956695.db2.gz RPZCHGAIQYJKOD-CQSZACIVSA-N 0 3 286.423 2.781 20 30 CFEDHN C=CCOCCNCc1cccc(Br)c1 ZINC000308834580 539872197 /nfs/dbraw/zinc/87/21/97/539872197.db2.gz VUDHNLGCTJKTSF-UHFFFAOYSA-N 0 3 270.170 2.741 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000616775557 352429030 /nfs/dbraw/zinc/42/90/30/352429030.db2.gz CNNZUHGHEGRKSV-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC000617036437 352473058 /nfs/dbraw/zinc/47/30/58/352473058.db2.gz AVEWWBCOHPLYKS-KBPBESRZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000617042917 352478013 /nfs/dbraw/zinc/47/80/13/352478013.db2.gz XEFZEDAPSKGALZ-CHWSQXEVSA-N 0 3 261.369 2.512 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccnc(C#N)c2)[C@H](C)[C@@H]1OC ZINC000617549872 352579059 /nfs/dbraw/zinc/57/90/59/352579059.db2.gz IWUZSFJXGFGXHG-MAZHCROVSA-N 0 3 287.407 2.883 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CSCCS2)s1 ZINC000135507684 187835415 /nfs/dbraw/zinc/83/54/15/187835415.db2.gz REQJVLVCGSFFTQ-NSHDSACASA-N 0 3 270.448 2.558 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N[C@H](C)CN1CCC(C)CC1)OCC ZINC000618986794 352927873 /nfs/dbraw/zinc/92/78/73/352927873.db2.gz IDTXXNHBLAPFSL-HZPDHXFCSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)[C@H](CC(=O)N[C@H](C)CN1CCC(C)CC1)OCC ZINC000618986792 352928201 /nfs/dbraw/zinc/92/82/01/352928201.db2.gz IDTXXNHBLAPFSL-CVEARBPZSA-N 0 3 296.455 2.594 20 30 CFEDHN COc1cccc2c1CCN(C[C@@H](C)CCC#N)C2 ZINC000618887670 352905484 /nfs/dbraw/zinc/90/54/84/352905484.db2.gz HXTDLKQTZHUFSL-ZDUSSCGKSA-N 0 3 258.365 2.993 20 30 CFEDHN C=CCOCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000619272975 352989955 /nfs/dbraw/zinc/98/99/55/352989955.db2.gz FBOFAWYRKMBSSS-GFCCVEGCSA-N 0 3 262.328 2.941 20 30 CFEDHN CCN(C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000619158411 352968227 /nfs/dbraw/zinc/96/82/27/352968227.db2.gz ORQOJSAWJKCQEV-KRWDZBQOSA-N 0 3 297.402 2.928 20 30 CFEDHN N#CC1(CNC2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000619535273 353033983 /nfs/dbraw/zinc/03/39/83/353033983.db2.gz BAFQTJCRJVDGOI-UHFFFAOYSA-N 0 3 291.345 2.827 20 30 CFEDHN C[C@H](CN1CCN(c2ncccc2C#N)CC1)C(C)(C)C ZINC000619844125 353068296 /nfs/dbraw/zinc/06/82/96/353068296.db2.gz YOAUMBQOAOQTSD-CQSZACIVSA-N 0 3 286.423 2.757 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1 ZINC000619900424 353075220 /nfs/dbraw/zinc/07/52/20/353075220.db2.gz CEGSTCULWOIYDR-WBVHZDCISA-N 0 3 286.419 2.947 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000152742633 188040900 /nfs/dbraw/zinc/04/09/00/188040900.db2.gz FNVSCQMQOCZHIW-BBRMVZONSA-N 0 3 277.795 2.927 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCC[C@H]4C3)o2)cc1 ZINC000153128926 188066013 /nfs/dbraw/zinc/06/60/13/188066013.db2.gz XTWRBNWAXDVPTJ-GJZGRUSLSA-N 0 3 294.358 2.840 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CC ZINC000620313170 353150403 /nfs/dbraw/zinc/15/04/03/353150403.db2.gz YMMGHFZRHRARIV-ZNMIVQPWSA-N 0 3 262.397 2.570 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000153738876 188101165 /nfs/dbraw/zinc/10/11/65/188101165.db2.gz AJXRDCJAHXHINJ-AWEZNQCLSA-N 0 3 295.452 2.958 20 30 CFEDHN CC(C)SCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292328695 198246138 /nfs/dbraw/zinc/24/61/38/198246138.db2.gz WGMCFHIOACEDOK-CQSZACIVSA-N 0 3 291.420 2.548 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCOC1 ZINC000154597324 188152783 /nfs/dbraw/zinc/15/27/83/188152783.db2.gz ZNSXRKFUFCZUNP-CQSZACIVSA-N 0 3 263.768 2.660 20 30 CFEDHN CSC[C@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000292482892 198304449 /nfs/dbraw/zinc/30/44/49/198304449.db2.gz SHNIDOMRFFVXLC-HOCLYGCPSA-N 0 3 290.432 2.667 20 30 CFEDHN C=CCC1(C(=O)N2CCN[C@@H](C(C)C)C2)CCCCC1 ZINC000621159432 353290062 /nfs/dbraw/zinc/29/00/62/353290062.db2.gz KXPRNQMAHUHWPQ-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CNCc1ccnn1CCc1ccccc1 ZINC000621352144 353334082 /nfs/dbraw/zinc/33/40/82/353334082.db2.gz PCVIPYJTMHOEDR-UHFFFAOYSA-N 0 3 255.365 2.792 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157916099 188347327 /nfs/dbraw/zinc/34/73/27/188347327.db2.gz JNXZHXOKTXQAFC-INIZCTEOSA-N 0 3 299.418 2.852 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000158311661 188368937 /nfs/dbraw/zinc/36/89/37/188368937.db2.gz HMJBQNYHGYYYPS-UHFFFAOYSA-N 0 3 294.757 2.763 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCc2ccn(C)c2)cc1 ZINC000158497830 188379080 /nfs/dbraw/zinc/37/90/80/188379080.db2.gz ZMPIPQATMLYFSH-AWEZNQCLSA-N 0 3 268.360 2.888 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000623422391 353639589 /nfs/dbraw/zinc/63/95/89/353639589.db2.gz VDPXZLYZPDOFME-HRCADAONSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NCCN1CCC(C)CC1 ZINC000623461380 353649736 /nfs/dbraw/zinc/64/97/36/353649736.db2.gz JDAAIRDEEYTSFZ-UHFFFAOYSA-N 0 3 281.444 2.620 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC23CC3)CC1 ZINC000623634840 353691557 /nfs/dbraw/zinc/69/15/57/353691557.db2.gz ARCPYSDDZHMKEY-CQSZACIVSA-N 0 3 291.439 2.516 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NCCN(C)CCCC ZINC000623723084 353712065 /nfs/dbraw/zinc/71/20/65/353712065.db2.gz DPKSQXVIRKNKHH-UHFFFAOYSA-N 0 3 269.433 2.620 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000623948990 353767806 /nfs/dbraw/zinc/76/78/06/353767806.db2.gz CSNQOYHLTZMUJG-GOEBONIOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000624377257 353872726 /nfs/dbraw/zinc/87/27/26/353872726.db2.gz UNLSGXQPCTYAFA-HOTGVXAUSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000624466268 353887375 /nfs/dbraw/zinc/88/73/75/353887375.db2.gz QMFHXFRWTATUDA-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624546165 353903319 /nfs/dbraw/zinc/90/33/19/353903319.db2.gz JJEWUFDTROCPAN-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCC[C@H](O)CNC1(c2cccc(OC)c2)CC1 ZINC000271721029 191290925 /nfs/dbraw/zinc/29/09/25/191290925.db2.gz PXRJXOHEVVBWHN-AWEZNQCLSA-N 0 3 261.365 2.601 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2coc(C(F)F)c2)CC1 ZINC000625322643 354021805 /nfs/dbraw/zinc/02/18/05/354021805.db2.gz KFWCWGOXVDUQDG-UHFFFAOYSA-N 0 3 298.333 2.988 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000625699507 354088231 /nfs/dbraw/zinc/08/82/31/354088231.db2.gz FQCKSZIFEUVITF-CABCVRRESA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000625701732 354089399 /nfs/dbraw/zinc/08/93/99/354089399.db2.gz CBKGOSSIHKRDLJ-AWEZNQCLSA-N 0 3 272.392 2.786 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000625702609 354090347 /nfs/dbraw/zinc/09/03/47/354090347.db2.gz VRAYBOPJLGWBCD-QLFBSQMISA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000625705163 354091566 /nfs/dbraw/zinc/09/15/66/354091566.db2.gz YBLGUFYZTOPIGS-KFWWJZLASA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625941160 354150181 /nfs/dbraw/zinc/15/01/81/354150181.db2.gz DPOZCVWDSGLSNQ-ZDUSSCGKSA-N 0 3 289.379 2.645 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000346337473 283027567 /nfs/dbraw/zinc/02/75/67/283027567.db2.gz MMVCNPZSZMZUHA-AGIUHOORSA-N 0 3 266.385 2.588 20 30 CFEDHN C=CC(C)(C)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000628316241 354541799 /nfs/dbraw/zinc/54/17/99/354541799.db2.gz OESKGGUZCJLHJD-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000628491298 354606780 /nfs/dbraw/zinc/60/67/80/354606780.db2.gz VJCNSGPYUXXSPZ-MRXNPFEDSA-N 0 3 298.430 2.859 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000330263951 283067194 /nfs/dbraw/zinc/06/71/94/283067194.db2.gz XGTWMMQDDLCRMI-ZFWWWQNUSA-N 0 3 295.390 2.601 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000630034728 354988517 /nfs/dbraw/zinc/98/85/17/354988517.db2.gz ZSFBPYALXFXLOH-ZWKOTPCHSA-N 0 3 289.419 2.587 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(F)ccc2CC)CC1 ZINC000630944667 355224478 /nfs/dbraw/zinc/22/44/78/355224478.db2.gz WIGNCXRKYXESNI-UHFFFAOYSA-N 0 3 290.382 2.768 20 30 CFEDHN C[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000271822298 191348873 /nfs/dbraw/zinc/34/88/73/191348873.db2.gz CMOBPKYEINNYJF-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN COc1cccc([C@@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000271845916 191364133 /nfs/dbraw/zinc/36/41/33/191364133.db2.gz QJNWAQOIORGTFP-ACJLOTCBSA-N 0 3 296.370 2.951 20 30 CFEDHN C=CCN1CCC(Nc2nc(C(C)C)nc3[nH]ccc32)CC1 ZINC000631109439 355296295 /nfs/dbraw/zinc/29/62/95/355296295.db2.gz RHDPLPZARHNQPC-UHFFFAOYSA-N 0 3 299.422 2.566 20 30 CFEDHN CC(C)C[C@@H]1C[C@@H](NCc2ccc(C#N)o2)CCO1 ZINC000271973508 191439852 /nfs/dbraw/zinc/43/98/52/191439852.db2.gz IITCNJFMDWIWSI-SWLSCSKDSA-N 0 3 262.353 2.835 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271974069 191440902 /nfs/dbraw/zinc/44/09/02/191440902.db2.gz VBXZMBGOGVPQEK-NWDGAFQWSA-N 0 3 291.370 2.653 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(OC)cc(F)cc1OC ZINC000631161871 355323794 /nfs/dbraw/zinc/32/37/94/355323794.db2.gz QBHJEXQFECVDDF-FZMZJTMJSA-N 0 3 295.354 2.524 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc1OC ZINC000631220709 355358253 /nfs/dbraw/zinc/35/82/53/355358253.db2.gz XKCUSQIACMAVKV-UMVBOHGHSA-N 0 3 291.391 2.916 20 30 CFEDHN C=CCC[C@@H](NCC[C@H](O)C(F)F)c1ccco1 ZINC000631703571 355555865 /nfs/dbraw/zinc/55/58/65/355555865.db2.gz TYNZWCONSJFPKN-MNOVXSKESA-N 0 3 259.296 2.893 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](CC)c1cccc(OC)c1OC ZINC000631616683 355515269 /nfs/dbraw/zinc/51/52/69/355515269.db2.gz UWTZIHKAJRFOIO-OCCSQVGLSA-N 0 3 279.380 2.682 20 30 CFEDHN N#Cc1cc([N+](=O)[O-])ccc1N1CCc2cnccc21 ZINC000175006532 283112921 /nfs/dbraw/zinc/11/29/21/283112921.db2.gz NXVYEUFIRANMIA-UHFFFAOYSA-N 0 3 266.260 2.556 20 30 CFEDHN C[C@@H](Nc1ncc(C#N)cc1Cl)C1=CCN(C)CC1 ZINC000272921546 191975559 /nfs/dbraw/zinc/97/55/59/191975559.db2.gz KIYRXTGQQZWFCR-SNVBAGLBSA-N 0 3 276.771 2.669 20 30 CFEDHN CC#CCN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000679939803 542254558 /nfs/dbraw/zinc/25/45/58/542254558.db2.gz YUOOTJAREBACTI-KRWDZBQOSA-N 0 3 256.393 2.827 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H](CO)CC(F)F ZINC000360873149 283192861 /nfs/dbraw/zinc/19/28/61/283192861.db2.gz ONBGYCOLJOQVDI-DZGCQCFKSA-N 0 3 294.345 2.931 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC001085173425 781935090 /nfs/dbraw/zinc/93/50/90/781935090.db2.gz VPJLKCBORKPFEV-YNEHKIRRSA-N 0 3 284.831 2.802 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000335902807 283247751 /nfs/dbraw/zinc/24/77/51/283247751.db2.gz SJQCAELANFGTIK-ZDUSSCGKSA-N 0 3 285.372 2.888 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)c(OC)c1)OC ZINC000294356006 199010581 /nfs/dbraw/zinc/01/05/81/199010581.db2.gz ZQXWUMARWXXCQS-BLLLJJGKSA-N 0 3 276.380 2.718 20 30 CFEDHN C=CC[C@H](C)N[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294853570 199214978 /nfs/dbraw/zinc/21/49/78/199214978.db2.gz SOUYRFQHPPSOIS-GWCFXTLKSA-N 0 3 260.316 2.587 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(F)cc1F ZINC000294924389 199252641 /nfs/dbraw/zinc/25/26/41/199252641.db2.gz HACKIFQFDSXBBB-LBPRGKRZSA-N 0 3 266.335 2.571 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000669703759 540517715 /nfs/dbraw/zinc/51/77/15/540517715.db2.gz AVVXRDIUNXZTPH-ZDUSSCGKSA-N 0 3 263.385 2.851 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000296883980 200024757 /nfs/dbraw/zinc/02/47/57/200024757.db2.gz PZLSPPSHDXWUOF-HEHGZKQESA-N 0 3 261.365 2.907 20 30 CFEDHN CCC#C[C@@H](C)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000671255223 540609703 /nfs/dbraw/zinc/60/97/03/540609703.db2.gz AUEHLPZSOWPAKV-AEFFLSMTSA-N 0 3 270.420 2.647 20 30 CFEDHN COc1ccc(C#N)cc1NC1CCN(C2CC2)CC1 ZINC000297796846 200283048 /nfs/dbraw/zinc/28/30/48/200283048.db2.gz XEIVAXXYQYIDMI-UHFFFAOYSA-N 0 3 271.364 2.606 20 30 CFEDHN C[C@@]12CCN(CCOc3ccccc3C#N)C[C@@H]1C2(F)F ZINC000298214875 200362060 /nfs/dbraw/zinc/36/20/60/200362060.db2.gz FAYNRQBLURTSGO-LSDHHAIUSA-N 0 3 292.329 2.914 20 30 CFEDHN C[C@]12CCN(CCOc3ccccc3C#N)C[C@H]1C2(F)F ZINC000298214866 200362427 /nfs/dbraw/zinc/36/24/27/200362427.db2.gz FAYNRQBLURTSGO-CABCVRRESA-N 0 3 292.329 2.914 20 30 CFEDHN C=CCN(CCCC(=O)NCCC)Cc1cccc(C#N)c1 ZINC000298259447 200374508 /nfs/dbraw/zinc/37/45/08/200374508.db2.gz VHPDGFWCDXCMPA-UHFFFAOYSA-N 0 3 299.418 2.853 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC000176954450 189016715 /nfs/dbraw/zinc/01/67/15/189016715.db2.gz WNBVGNIWTUOFRL-CHWSQXEVSA-N 0 3 277.437 2.830 20 30 CFEDHN CN(CCNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000176960915 189017108 /nfs/dbraw/zinc/01/71/08/189017108.db2.gz UAOACXWXJSRXQD-UHFFFAOYSA-N 0 3 295.408 2.576 20 30 CFEDHN CCC(CC)[C@H](O)CNCc1ccc(C#N)s1 ZINC000176968132 189017581 /nfs/dbraw/zinc/01/75/81/189017581.db2.gz RJTRJIAKTWMSPH-CYBMUJFWSA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2cncc(F)c2)CC1 ZINC000177911313 189078950 /nfs/dbraw/zinc/07/89/50/189078950.db2.gz VLEYNRSBHLVSQX-GFCCVEGCSA-N 0 3 263.360 2.522 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCCOC2)cc1 ZINC000177929698 189080061 /nfs/dbraw/zinc/08/00/61/189080061.db2.gz SFAAQACIAUOFCH-HIFRSBDPSA-N 0 3 259.349 2.528 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179166867 189174679 /nfs/dbraw/zinc/17/46/79/189174679.db2.gz FIRQIZHBWHMNCZ-FVQBIDKESA-N 0 3 287.407 2.696 20 30 CFEDHN C#CCCOc1ccc(CN2CCCO[C@H](C)C2)cc1 ZINC000179398671 189190980 /nfs/dbraw/zinc/19/09/80/189190980.db2.gz CMPSVHOYBULZFK-OAHLLOKOSA-N 0 3 273.376 2.700 20 30 CFEDHN C#CCN[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179704721 189214932 /nfs/dbraw/zinc/21/49/32/189214932.db2.gz XCHBZBJBVZHYPB-CQSZACIVSA-N 0 3 296.370 2.953 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(CC)CC)CC1 ZINC000158981097 540982573 /nfs/dbraw/zinc/98/25/73/540982573.db2.gz ZNTDOBRKHJFQLV-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180456334 189256276 /nfs/dbraw/zinc/25/62/76/189256276.db2.gz FJWXOYIERJRORH-LBPRGKRZSA-N 0 3 299.461 2.660 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000181095944 189288492 /nfs/dbraw/zinc/28/84/92/189288492.db2.gz UGSYJIMWHUZHPA-LBPRGKRZSA-N 0 3 276.405 2.662 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1coc(C)c1 ZINC001085182271 781938302 /nfs/dbraw/zinc/93/83/02/781938302.db2.gz RQSUMJHGABBAII-ZIAGYGMSSA-N 0 3 296.798 2.971 20 30 CFEDHN C[C@H](NCCC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181805605 189307192 /nfs/dbraw/zinc/30/71/92/189307192.db2.gz HYFNWQGIDIULGJ-LBPRGKRZSA-N 0 3 274.364 2.941 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CCCCC3)CC2)cn1 ZINC000301495125 201028811 /nfs/dbraw/zinc/02/88/11/201028811.db2.gz BGFZVBZBMCJMIO-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CCc1ccccc1 ZINC000182194049 189317134 /nfs/dbraw/zinc/31/71/34/189317134.db2.gz LRWXPHQHZWMHFA-LJQANCHMSA-N 0 3 294.398 2.984 20 30 CFEDHN C[C@@H](CNc1ccc(C#N)nc1)N(C)Cc1ccccc1 ZINC000301537323 201054656 /nfs/dbraw/zinc/05/46/56/201054656.db2.gz UIIICUIAVNRPOM-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC000182406605 189322832 /nfs/dbraw/zinc/32/28/32/189322832.db2.gz GQFIQUOXJXMRBV-AWEZNQCLSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182518040 189326821 /nfs/dbraw/zinc/32/68/21/189326821.db2.gz DMHSERZCMOHBQA-OAHLLOKOSA-N 0 3 274.408 2.979 20 30 CFEDHN CN(CCC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182917104 189339419 /nfs/dbraw/zinc/33/94/19/189339419.db2.gz XHJQLMHPVQHUDX-KRWDZBQOSA-N 0 3 297.402 2.786 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671754185 541085838 /nfs/dbraw/zinc/08/58/38/541085838.db2.gz CRHCGMCVRPUIEE-NSHDSACASA-N 0 3 276.336 2.777 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@H](C)CCN(C)C ZINC000302126451 201351901 /nfs/dbraw/zinc/35/19/01/201351901.db2.gz WNGUYVIGWLTYCB-LLVKDONJSA-N 0 3 259.353 2.513 20 30 CFEDHN C=C(C)CN(CC)Cc1ccnn1-c1ccncc1 ZINC000667473480 541239265 /nfs/dbraw/zinc/23/92/65/541239265.db2.gz LEWPRVFAEWFRSM-UHFFFAOYSA-N 0 3 256.353 2.665 20 30 CFEDHN Cc1cccc(OC[C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000190849429 189575908 /nfs/dbraw/zinc/57/59/08/189575908.db2.gz MACKOUVENRZRFP-AWEZNQCLSA-N 0 3 283.375 2.762 20 30 CFEDHN OCCN(CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000275821443 193138652 /nfs/dbraw/zinc/13/86/52/193138652.db2.gz JZJRFDIFURBQEJ-UHFFFAOYSA-N 0 3 263.768 2.538 20 30 CFEDHN Cc1cc(CNCc2ccc(CO)c(F)c2)ccc1C#N ZINC000443958789 241098618 /nfs/dbraw/zinc/09/86/18/241098618.db2.gz ABCQLFORCIEKKS-UHFFFAOYSA-N 0 3 284.334 2.788 20 30 CFEDHN Cc1cc(CN[C@H]2CCN(c3ccccn3)C2)ccc1C#N ZINC000443977548 241101147 /nfs/dbraw/zinc/10/11/47/241101147.db2.gz DPSZHCDDRPWWLQ-KRWDZBQOSA-N 0 3 292.386 2.630 20 30 CFEDHN Cc1cc(CNC[C@@H](O)CC(C)(C)C)ccc1C#N ZINC000443985701 241103147 /nfs/dbraw/zinc/10/31/47/241103147.db2.gz GMAFFLWQMHCECI-HNNXBMFYSA-N 0 3 260.381 2.753 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000449553948 242025113 /nfs/dbraw/zinc/02/51/13/242025113.db2.gz NDLCJJURHFLPNF-ZACQAIPSSA-N 0 3 270.376 2.541 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000449736146 242124921 /nfs/dbraw/zinc/12/49/21/242124921.db2.gz LFFJOWSGIFJZGW-VCTAVGKDSA-N 0 3 276.355 2.846 20 30 CFEDHN COCC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000449741005 242129586 /nfs/dbraw/zinc/12/95/86/242129586.db2.gz IPMHUNLRBPGIHB-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN COC[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000449759816 242141200 /nfs/dbraw/zinc/14/12/00/242141200.db2.gz KTYDEBJUJDRQJO-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C[C@H]1CCCCN1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450258115 242329376 /nfs/dbraw/zinc/32/93/76/242329376.db2.gz OVYCQNBSAJBTHM-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2nccc(C#N)n2)C1 ZINC000450276839 242337791 /nfs/dbraw/zinc/33/77/91/242337791.db2.gz PROGEQWZSBJCGV-CZUORRHYSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@@H]1CCCN(CCNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450256428 242327870 /nfs/dbraw/zinc/32/78/70/242327870.db2.gz HINFIUQFELSTFL-GFCCVEGCSA-N 0 3 288.351 2.610 20 30 CFEDHN COC(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000265566000 284010126 /nfs/dbraw/zinc/01/01/26/284010126.db2.gz WAFHPXWBHRZHRW-SWLSCSKDSA-N 0 3 272.348 2.504 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)[C@@H]1C ZINC000347230762 284068696 /nfs/dbraw/zinc/06/86/96/284068696.db2.gz XVLICNYFCJOPHF-LALPHHSUSA-N 0 3 272.348 2.503 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000276082023 193208901 /nfs/dbraw/zinc/20/89/01/193208901.db2.gz BANAYQGJNPLDFA-KGLIPLIRSA-N 0 3 290.407 2.769 20 30 CFEDHN C=CCCN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000276191577 193237676 /nfs/dbraw/zinc/23/76/76/193237676.db2.gz XBYWJCCEHQIKFE-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000276461186 193340475 /nfs/dbraw/zinc/34/04/75/193340475.db2.gz QQKRMZJDYZHOTR-CQSZACIVSA-N 0 3 264.413 2.890 20 30 CFEDHN N#Cc1ccc(CNC2(CO)CCSCC2)c(Cl)c1 ZINC000459701910 245278669 /nfs/dbraw/zinc/27/86/69/245278669.db2.gz QTYFXXUOCUBEEJ-UHFFFAOYSA-N 0 3 296.823 2.559 20 30 CFEDHN Cc1cc(C)n([C@H](C)CC(=O)NCC2=CCN(C)CC2)n1 ZINC000329215729 227359168 /nfs/dbraw/zinc/35/91/68/227359168.db2.gz NEWYSKOAAAUEMT-CQSZACIVSA-N 0 3 290.411 2.669 20 30 CFEDHN CCN(CC(C)C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037111580 372650322 /nfs/dbraw/zinc/65/03/22/372650322.db2.gz AAXBMJPVKFOACO-ZDUSSCGKSA-N 0 3 273.380 2.863 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000038013648 372766434 /nfs/dbraw/zinc/76/64/34/372766434.db2.gz IBDHQBMCWDGDCI-QWHCGFSZSA-N 0 3 273.380 2.514 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000038014231 372768861 /nfs/dbraw/zinc/76/88/61/372768861.db2.gz XLIHSCWTZHSTMS-OLZOCXBDSA-N 0 3 273.380 2.514 20 30 CFEDHN CC(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000041493582 372844099 /nfs/dbraw/zinc/84/40/99/372844099.db2.gz TXPCGNVXNFUDTM-AWEZNQCLSA-N 0 3 279.299 2.530 20 30 CFEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CC1 ZINC000048580119 373203079 /nfs/dbraw/zinc/20/30/79/373203079.db2.gz CIKYJIIITQKMIY-JTQLQIEISA-N 0 3 291.782 2.880 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCC(C)CC1 ZINC000049067228 373259762 /nfs/dbraw/zinc/25/97/62/373259762.db2.gz LBUOMMRNQXTURV-ZBCRRDGASA-N 0 3 279.428 2.551 20 30 CFEDHN CCN1CCC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000049957037 373338552 /nfs/dbraw/zinc/33/85/52/373338552.db2.gz RSMXCVJWRYELBC-OAHLLOKOSA-N 0 3 284.407 2.728 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1cccc(F)c1 ZINC000051766975 373409372 /nfs/dbraw/zinc/40/93/72/373409372.db2.gz VEZGAVMTTYYLAZ-UHFFFAOYSA-N 0 3 262.328 2.828 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1cccc(C#N)c1F ZINC000451737213 383694178 /nfs/dbraw/zinc/69/41/78/383694178.db2.gz GNADRDACXCJRLY-HNNXBMFYSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640060200 383693528 /nfs/dbraw/zinc/69/35/28/383693528.db2.gz ATUJOLXTDLWMHH-ZYHUDNBSSA-N 0 3 276.336 2.511 20 30 CFEDHN C=CCNC(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000060908742 373708457 /nfs/dbraw/zinc/70/84/57/373708457.db2.gz LZBIQWMTHNGKSJ-ZDUSSCGKSA-N 0 3 281.425 2.616 20 30 CFEDHN C[C@H](CO)N(Cc1ccc(C#N)s1)CC1CCC1 ZINC000289550111 197399522 /nfs/dbraw/zinc/39/95/22/197399522.db2.gz RBMKYVWKZOKBIR-LLVKDONJSA-N 0 3 264.394 2.603 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640064209 383694314 /nfs/dbraw/zinc/69/43/14/383694314.db2.gz RMBBDZGUQKLYHQ-WDEREUQCSA-N 0 3 258.321 2.986 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431755881 383694758 /nfs/dbraw/zinc/69/47/58/383694758.db2.gz FAGCCIBFAXETFU-HOCLYGCPSA-N 0 3 287.407 2.688 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)NCCC(=O)N(C)CCC#N ZINC000355064714 227361463 /nfs/dbraw/zinc/36/14/63/227361463.db2.gz SSTHBBRLCCKHMB-OAHLLOKOSA-N 0 3 287.407 2.716 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000068048766 374020008 /nfs/dbraw/zinc/02/00/08/374020008.db2.gz WELGUKCZPXTBIP-MRXNPFEDSA-N 0 3 275.392 2.717 20 30 CFEDHN N#Cc1cccc(CNCCN2CCc3sccc3C2)c1 ZINC000067219262 373973992 /nfs/dbraw/zinc/97/39/92/373973992.db2.gz GKMONWTYWZGLQZ-UHFFFAOYSA-N 0 3 297.427 2.768 20 30 CFEDHN CC(C)[C@@H](C(=O)NCc1ccc(C#N)cc1)N1CCCCC1 ZINC000067291158 373976009 /nfs/dbraw/zinc/97/60/09/373976009.db2.gz VKTIFPDWSYKQGQ-KRWDZBQOSA-N 0 3 299.418 2.685 20 30 CFEDHN COc1cc(CNCC[C@@H](O)c2ccccc2)ccc1C#N ZINC000289536293 197394446 /nfs/dbraw/zinc/39/44/46/197394446.db2.gz WMMXYVIZBZXSRJ-QGZVFWFLSA-N 0 3 296.370 2.780 20 30 CFEDHN CN(C)[C@@H](CNc1ncccc1C#N)Cc1ccccc1 ZINC000068836594 374040514 /nfs/dbraw/zinc/04/05/14/374040514.db2.gz RZAUUZDAAXKWKP-MRXNPFEDSA-N 0 3 280.375 2.538 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000069679564 374084980 /nfs/dbraw/zinc/08/49/80/374084980.db2.gz NGBDJLDZKOHSPM-IRXDYDNUSA-N 0 3 286.419 2.947 20 30 CFEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@@H](C)S1 ZINC000070383207 374170451 /nfs/dbraw/zinc/17/04/51/374170451.db2.gz FZJXGRNCCTVENL-CHWSQXEVSA-N 0 3 276.405 2.763 20 30 CFEDHN COCC#CCN1CCC[C@@H](Cc2ccccc2)C1 ZINC000677816821 541910065 /nfs/dbraw/zinc/91/00/65/541910065.db2.gz BFWBNHPXLKTYOK-KRWDZBQOSA-N 0 3 257.377 2.591 20 30 CFEDHN COCC#CCN(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000677820647 541911204 /nfs/dbraw/zinc/91/12/04/541911204.db2.gz RPOZHKYUJHHRCV-KRWDZBQOSA-N 0 3 277.383 2.974 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000073618668 374359014 /nfs/dbraw/zinc/35/90/14/374359014.db2.gz ZOBUYPMGQQHLGA-LSDHHAIUSA-N 0 3 264.413 2.698 20 30 CFEDHN CC(C)C[C@H](CNC(=O)/C=C\c1ccc(C#N)cc1)N(C)C ZINC000491892645 246114473 /nfs/dbraw/zinc/11/44/73/246114473.db2.gz GMGLMGLYIYAEJQ-DOOKAGJSSA-N 0 3 299.418 2.664 20 30 CFEDHN COCCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000075800345 374505838 /nfs/dbraw/zinc/50/58/38/374505838.db2.gz NIZOPVVYQGUVHZ-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000076737086 374556580 /nfs/dbraw/zinc/55/65/80/374556580.db2.gz ZBAXOINWXGRZCB-HNNXBMFYSA-N 0 3 274.408 2.898 20 30 CFEDHN COC[C@@H](Cc1ccccc1)NCc1cccc(C#N)c1 ZINC000080244143 374646734 /nfs/dbraw/zinc/64/67/34/374646734.db2.gz RZHWLEYASDVYSM-GOSISDBHSA-N 0 3 280.371 2.906 20 30 CFEDHN C[C@@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CCN1C ZINC000090794948 375029737 /nfs/dbraw/zinc/02/97/37/375029737.db2.gz QGTHWFAFZZLXLJ-MWLCHTKSSA-N 0 3 265.307 2.731 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](C(=O)OC)C2)cc1 ZINC000092643649 375133452 /nfs/dbraw/zinc/13/34/52/375133452.db2.gz XSUYKKMYMYNTGV-HNNXBMFYSA-N 0 3 289.375 2.636 20 30 CFEDHN Cc1nsc(NCCCN2CCCC[C@H]2C)c1C#N ZINC000092912222 375165714 /nfs/dbraw/zinc/16/57/14/375165714.db2.gz RKPXCCGDAHGUQI-LLVKDONJSA-N 0 3 278.425 3.000 20 30 CFEDHN C=CCCCCCN(C)Cc1cnc2cnccn12 ZINC000093497975 375256724 /nfs/dbraw/zinc/25/67/24/375256724.db2.gz RPDMOIFMHOVDHQ-UHFFFAOYSA-N 0 3 258.369 2.908 20 30 CFEDHN CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000101913891 375657680 /nfs/dbraw/zinc/65/76/80/375657680.db2.gz HTHSCHSMVRHYQG-KRWDZBQOSA-N 0 3 299.418 2.687 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CCC1CCCCC1 ZINC000101565882 375641336 /nfs/dbraw/zinc/64/13/36/375641336.db2.gz HYBYFNCNECMQPH-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000102224892 375666957 /nfs/dbraw/zinc/66/69/57/375666957.db2.gz SOOZQDDUCXAYRP-UHFFFAOYSA-N 0 3 276.380 2.669 20 30 CFEDHN C=CCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000102244103 375668266 /nfs/dbraw/zinc/66/82/66/375668266.db2.gz GIYCZTCEUMQWIG-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@@H](NCc2cccnc2)C1 ZINC000109077644 375819506 /nfs/dbraw/zinc/81/95/06/375819506.db2.gz HEPGQESUBABKDV-QGZVFWFLSA-N 0 3 292.386 2.712 20 30 CFEDHN C[C@H](NCCc1cscn1)c1cccc(C#N)c1 ZINC000111626420 375858151 /nfs/dbraw/zinc/85/81/51/375858151.db2.gz KWNCZKPXIQMUFK-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000678797207 542072124 /nfs/dbraw/zinc/07/21/24/542072124.db2.gz DYLOGZARLNTCKK-WMLDXEAASA-N 0 3 274.408 2.874 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000113265366 376002427 /nfs/dbraw/zinc/00/24/27/376002427.db2.gz SNKZHHDRDBLQEL-CRAIPNDOSA-N 0 3 286.419 2.731 20 30 CFEDHN N#Cc1cccc(CNCCC(=O)Nc2ccccc2)c1 ZINC000113346370 376010722 /nfs/dbraw/zinc/01/07/22/376010722.db2.gz UHVZDRANLOMAOR-UHFFFAOYSA-N 0 3 279.343 2.677 20 30 CFEDHN C[C@H](c1ccccc1)N1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000116064323 376159263 /nfs/dbraw/zinc/15/92/63/376159263.db2.gz WDNSYMFSJPXOEW-CQSZACIVSA-N 0 3 299.418 2.878 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116309110 376178410 /nfs/dbraw/zinc/17/84/10/376178410.db2.gz BGFHTQMUEGAEAC-GJZGRUSLSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000116937391 376217140 /nfs/dbraw/zinc/21/71/40/376217140.db2.gz FFRSTMGAKZZRSN-OAHLLOKOSA-N 0 3 289.423 2.772 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1C(C)C ZINC000117350222 376239168 /nfs/dbraw/zinc/23/91/68/376239168.db2.gz TWSGSIRSSQILFV-LSDHHAIUSA-N 0 3 279.428 2.505 20 30 CFEDHN C[C@@H]1C[C@@H](C)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000119278707 376382841 /nfs/dbraw/zinc/38/28/41/376382841.db2.gz URXMJJBIUJVQEF-DMDPSCGWSA-N 0 3 291.420 2.973 20 30 CFEDHN C=CCOc1ccc(CNCc2ccc(C(N)=O)cc2)cc1 ZINC000119799652 376476421 /nfs/dbraw/zinc/47/64/21/376476421.db2.gz WOLDIOJVSOEKDG-UHFFFAOYSA-N 0 3 296.370 2.640 20 30 CFEDHN C=CCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000263703742 190074304 /nfs/dbraw/zinc/07/43/04/190074304.db2.gz UYJIQTGAWPXCMR-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN C=C(C)CNCc1ccc(OCc2noc(C)n2)cc1 ZINC000119656169 376449166 /nfs/dbraw/zinc/44/91/66/376449166.db2.gz PRIZMFDQNMYREO-UHFFFAOYSA-N 0 3 273.336 2.623 20 30 CFEDHN C#Cc1cccc(NC(=O)NC2CCN(CC(=C)C)CC2)c1 ZINC000264350770 190104607 /nfs/dbraw/zinc/10/46/07/190104607.db2.gz FIQHYONDVFLYMI-UHFFFAOYSA-N 0 3 297.402 2.830 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC2=CCCCC2)CC1 ZINC000264427062 190109076 /nfs/dbraw/zinc/10/90/76/190109076.db2.gz SPAPABWITDMRQF-UHFFFAOYSA-N 0 3 291.439 2.827 20 30 CFEDHN C=CCN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264435751 190109302 /nfs/dbraw/zinc/10/93/02/190109302.db2.gz LLJISRLYBIFKMG-UHFFFAOYSA-N 0 3 279.315 2.796 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000264437125 190109363 /nfs/dbraw/zinc/10/93/63/190109363.db2.gz WCCPYNDXAPBDGG-QGZVFWFLSA-N 0 3 299.418 2.624 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCCN(c3ccccn3)C2)c1 ZINC000121745918 376897893 /nfs/dbraw/zinc/89/78/93/376897893.db2.gz ZRKFHQFRZYNJAL-KRWDZBQOSA-N 0 3 292.386 2.712 20 30 CFEDHN N#CC(C(=O)c1cccnc1)c1ccc(C(F)(F)F)cn1 ZINC000122452538 376929563 /nfs/dbraw/zinc/92/95/63/376929563.db2.gz DHQGMYGIAHJXGI-LLVKDONJSA-N 0 3 291.232 2.985 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000123071365 376945117 /nfs/dbraw/zinc/94/51/17/376945117.db2.gz FDSSRMYNQRBMSU-SNVBAGLBSA-N 0 3 269.291 2.798 20 30 CFEDHN C[C@H](CNc1ncccc1C#N)N(C)Cc1ccccc1 ZINC000264707126 190130488 /nfs/dbraw/zinc/13/04/88/190130488.db2.gz FVNOZSCZRFHKQU-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000125261355 377133996 /nfs/dbraw/zinc/13/39/96/377133996.db2.gz QUDQFHMGDCITSC-LSDHHAIUSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125475961 377158078 /nfs/dbraw/zinc/15/80/78/377158078.db2.gz FVPFOIPVBRMKFC-UHFFFAOYSA-N 0 3 259.275 2.794 20 30 CFEDHN C=CCC[C@H](NC(=O)NCCN(C)CC)c1ccccc1 ZINC000126795458 377247370 /nfs/dbraw/zinc/24/73/70/377247370.db2.gz AUIMUQWJAHVHEM-INIZCTEOSA-N 0 3 289.423 2.945 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC(C)(C)CC1 ZINC000127116310 377264763 /nfs/dbraw/zinc/26/47/63/377264763.db2.gz JQGMVFYWWQKMEC-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)s1 ZINC000128122857 377316799 /nfs/dbraw/zinc/31/67/99/377316799.db2.gz JXGDZSNIXLOKIN-RISCZKNCSA-N 0 3 262.378 2.621 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccccc1C ZINC000264889913 190142042 /nfs/dbraw/zinc/14/20/42/190142042.db2.gz WWMOYSDNUKCWRP-SFHVURJKSA-N 0 3 295.382 2.830 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)C1CCC(C)(C)CC1 ZINC000127665819 377295537 /nfs/dbraw/zinc/29/55/37/377295537.db2.gz XPROVXLGFFJFGL-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN CCCCCN(CC#Cc1ccc(F)cc1)CCO ZINC000128872892 377359824 /nfs/dbraw/zinc/35/98/24/377359824.db2.gz FKGBYAXHSRRZCT-UHFFFAOYSA-N 0 3 263.356 2.662 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@](C)(O)C1 ZINC000129481721 377434435 /nfs/dbraw/zinc/43/44/35/377434435.db2.gz JHNBWYZJOABUKH-INIZCTEOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000129250029 377403039 /nfs/dbraw/zinc/40/30/39/377403039.db2.gz SGBPWPPQNVVJGT-MJBXVCDLSA-N 0 3 252.402 2.672 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC2(C1)CCCCC2 ZINC000130009261 377501377 /nfs/dbraw/zinc/50/13/77/377501377.db2.gz HDVXMMULSQLCEA-HNNXBMFYSA-N 0 3 291.439 2.651 20 30 CFEDHN C=CCN(CCC(=O)N(C)CC)Cc1ccccc1 ZINC000130065514 377505735 /nfs/dbraw/zinc/50/57/35/377505735.db2.gz NLMZWRKMNPFQCX-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN CC(C)C[C@@H](CNC(=O)/C=C/c1ccc(C#N)cc1)N(C)C ZINC000265098493 190157569 /nfs/dbraw/zinc/15/75/69/190157569.db2.gz GMGLMGLYIYAEJQ-FVNWOWOISA-N 0 3 299.418 2.664 20 30 CFEDHN CN(CCNc1ccc(Br)cc1C#N)C1CC1 ZINC000130438038 377559175 /nfs/dbraw/zinc/55/91/75/377559175.db2.gz WCAMGNRGBVXALX-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN CC(C)[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000265286758 190172348 /nfs/dbraw/zinc/17/23/48/190172348.db2.gz CDKMXNWXACJXMO-KRWDZBQOSA-N 0 3 299.418 2.685 20 30 CFEDHN C#CCOc1ccc(CN(C)[C@@H]2CCSC2)cc1 ZINC000130577907 377580259 /nfs/dbraw/zinc/58/02/59/377580259.db2.gz OZRHJORORGQBLF-CQSZACIVSA-N 0 3 261.390 2.636 20 30 CFEDHN CN(C)[C@H](CNc1cccc(C#N)n1)c1ccsc1 ZINC000265477093 190184868 /nfs/dbraw/zinc/18/48/68/190184868.db2.gz BLOBVOGTXMVVBI-CYBMUJFWSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCN(CCc1cnn(C)c1)Cc1ccccc1 ZINC000265583960 190191675 /nfs/dbraw/zinc/19/16/75/190191675.db2.gz JNNPGWNCEQLSEF-UHFFFAOYSA-N 0 3 255.365 2.651 20 30 CFEDHN C=CCOCCNCc1cccc(OCc2ccccn2)c1 ZINC000679486736 542197407 /nfs/dbraw/zinc/19/74/07/542197407.db2.gz YIBSFHKZPPXIDB-UHFFFAOYSA-N 0 3 298.386 2.953 20 30 CFEDHN C=CCOCCNCc1cnc(CC(C)C)s1 ZINC000679486524 542197452 /nfs/dbraw/zinc/19/74/52/542197452.db2.gz PMLQZPLMHJAVRQ-UHFFFAOYSA-N 0 3 254.399 2.634 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(CCC)Cc1ccccc1 ZINC000265765585 190204965 /nfs/dbraw/zinc/20/49/65/190204965.db2.gz HISZVGPOUDTQGE-CQSZACIVSA-N 0 3 260.381 2.589 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130987789 377641646 /nfs/dbraw/zinc/64/16/46/377641646.db2.gz BDWTXMQSZOGFTH-KBPBESRZSA-N 0 3 295.427 2.915 20 30 CFEDHN CC[C@H](CC#N)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130988367 377641977 /nfs/dbraw/zinc/64/19/77/377641977.db2.gz BDWTXMQSZOGFTH-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN Cc1ccccc1N1CCN(CCCCC#N)CC1 ZINC000131029272 377648738 /nfs/dbraw/zinc/64/87/38/377648738.db2.gz PIHZHHWCGUFDQR-UHFFFAOYSA-N 0 3 257.381 2.811 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(O)CCc3ccccc32)s1 ZINC000132125051 377804291 /nfs/dbraw/zinc/80/42/91/377804291.db2.gz ZDZVCMPLUXMNOA-MRXNPFEDSA-N 0 3 284.384 2.543 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000432110300 383722885 /nfs/dbraw/zinc/72/28/85/383722885.db2.gz IALXWNQWISBDQO-OLZOCXBDSA-N 0 3 279.428 2.513 20 30 CFEDHN CCN1CCC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000133260151 377917607 /nfs/dbraw/zinc/91/76/07/377917607.db2.gz DQIQSBRPUSVFSH-VIFPVBQESA-N 0 3 284.816 2.812 20 30 CFEDHN C[C@H](NCCC(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000134798899 378050628 /nfs/dbraw/zinc/05/06/28/378050628.db2.gz HRGCBTLIWZCFKC-AWEZNQCLSA-N 0 3 285.391 2.611 20 30 CFEDHN C=CCN(CC=C)CCC(=O)N(C)c1ccccc1 ZINC000134982095 378072283 /nfs/dbraw/zinc/07/22/83/378072283.db2.gz RYYCXZHLPMOIIQ-UHFFFAOYSA-N 0 3 258.365 2.714 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000136169490 378185406 /nfs/dbraw/zinc/18/54/06/378185406.db2.gz DJYOLOTUEKGETI-QGZVFWFLSA-N 0 3 287.407 2.565 20 30 CFEDHN Cc1cccc([C@H](O)CNCc2ccc(C#N)s2)c1 ZINC000136477503 378200092 /nfs/dbraw/zinc/20/00/92/378200092.db2.gz MBCWYGZWDYKFQE-OAHLLOKOSA-N 0 3 272.373 2.751 20 30 CFEDHN C[C@H](NCCC(=O)N1CCCCC1)c1cccc(C#N)c1 ZINC000135725335 378161747 /nfs/dbraw/zinc/16/17/47/378161747.db2.gz ASRBLAXMJYWYJJ-AWEZNQCLSA-N 0 3 285.391 2.611 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cnccn1)C(C)C ZINC000152069296 378390019 /nfs/dbraw/zinc/39/00/19/378390019.db2.gz CHVSLCBRXSSWFL-NVXWUHKLSA-N 0 3 288.439 2.826 20 30 CFEDHN C=CCc1cc(CNC[C@]2(C)CCCO2)cc(OC)c1O ZINC000152945640 378460955 /nfs/dbraw/zinc/46/09/55/378460955.db2.gz WPENNSRAUZNAMZ-KRWDZBQOSA-N 0 3 291.391 2.788 20 30 CFEDHN CC[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC3)CC2)CC(=O)N1 ZINC000329399905 378461201 /nfs/dbraw/zinc/46/12/01/378461201.db2.gz AWTPBQRVBJKQQY-VXGBXAGGSA-N 0 3 293.411 2.715 20 30 CFEDHN CC[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ncc[nH]1 ZINC000328769875 378422398 /nfs/dbraw/zinc/42/23/98/378422398.db2.gz QUXXZYNGLHRJQG-ZDUSSCGKSA-N 0 3 276.384 2.692 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)C[C@@H]1CCCCNC1=O ZINC000328774284 378423843 /nfs/dbraw/zinc/42/38/43/378423843.db2.gz BUTOKUMVOIIAQC-KGLIPLIRSA-N 0 3 295.427 2.964 20 30 CFEDHN NC(=O)C1(CNC(=O)C23CCCN2CCC3)CCCC1 ZINC000328788523 378425654 /nfs/dbraw/zinc/42/56/54/378425654.db2.gz PIXBSBSZFHDIJC-UHFFFAOYSA-N 0 3 279.384 2.667 20 30 CFEDHN O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1CCCN1C1CCCC1 ZINC000328831659 378430238 /nfs/dbraw/zinc/43/02/38/378430238.db2.gz UZICTUVOBXPMPC-IIAWOOMASA-N 0 3 294.439 2.901 20 30 CFEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@@H](C2CC2)C1 ZINC000329681469 378480521 /nfs/dbraw/zinc/48/05/21/378480521.db2.gz YFSZWJVEHDQMEX-ZYHUDNBSSA-N 0 3 279.384 2.530 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(C)(c2ccccc2)CC1 ZINC000153664399 378502676 /nfs/dbraw/zinc/50/26/76/378502676.db2.gz CGDYXHQKARNWQN-HNNXBMFYSA-N 0 3 286.419 2.731 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CN1C1CC1 ZINC000329899280 378511052 /nfs/dbraw/zinc/51/10/52/378511052.db2.gz MVYQACVWSJYTFP-XQHKEYJVSA-N 0 3 293.411 2.910 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000679823640 542238727 /nfs/dbraw/zinc/23/87/27/542238727.db2.gz NYIXJUGWNZWQLA-GUYCJALGSA-N 0 3 285.391 2.768 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC000330384383 378541923 /nfs/dbraw/zinc/54/19/23/378541923.db2.gz RDIMADIMVIOVED-AWEZNQCLSA-N 0 3 291.395 2.578 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC000330384384 378542066 /nfs/dbraw/zinc/54/20/66/378542066.db2.gz RDIMADIMVIOVED-CQSZACIVSA-N 0 3 291.395 2.578 20 30 CFEDHN C=CCN(C)Cc1ccccc1N1CCN(CCC)CC1 ZINC000154763117 378593319 /nfs/dbraw/zinc/59/33/19/378593319.db2.gz LNLJYPIOAPVFHM-UHFFFAOYSA-N 0 3 287.451 2.836 20 30 CFEDHN CC#CCCN(CCCC(=O)OC)Cc1ccccc1 ZINC000156498162 378639724 /nfs/dbraw/zinc/63/97/24/378639724.db2.gz FIOLIIUUBPHWFD-UHFFFAOYSA-N 0 3 273.376 2.855 20 30 CFEDHN CCCCn1cc(C(=O)NC2CCN(CC)CC2)c(C)n1 ZINC000330991943 378610226 /nfs/dbraw/zinc/61/02/26/378610226.db2.gz AYWPDSFZWMOOAM-UHFFFAOYSA-N 0 3 292.427 2.781 20 30 CFEDHN CCN1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000331034131 378617981 /nfs/dbraw/zinc/61/79/81/378617981.db2.gz XVHBLRIBQODQIR-UHFFFAOYSA-N 0 3 299.418 2.702 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)cc1)C(=O)OC ZINC000159663959 378723135 /nfs/dbraw/zinc/72/31/35/378723135.db2.gz GVCAANHFJIQKLB-UHFFFAOYSA-N 0 3 274.364 2.627 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)o1 ZINC000266174698 190237484 /nfs/dbraw/zinc/23/74/84/190237484.db2.gz SPCWMAHSKFGQPP-CZUORRHYSA-N 0 3 252.317 2.872 20 30 CFEDHN CC#CCNC(C)(C)COc1ncccc1Br ZINC000161254613 378834059 /nfs/dbraw/zinc/83/40/59/378834059.db2.gz QJSIBHIZFOXXOY-UHFFFAOYSA-N 0 3 297.196 2.614 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1cccc(C#N)c1C ZINC000432260520 383733943 /nfs/dbraw/zinc/73/39/43/383733943.db2.gz URTSVNCWJNOOTJ-UHFFFAOYSA-N 0 3 288.395 2.720 20 30 CFEDHN COc1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000334364797 379164774 /nfs/dbraw/zinc/16/47/74/379164774.db2.gz HBYPKZNPRFJBOU-UKRRQHHQSA-N 0 3 270.376 2.788 20 30 CFEDHN CC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000278786406 194153935 /nfs/dbraw/zinc/15/39/35/194153935.db2.gz QDKGKBLNSQSMFA-HZPDHXFCSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1ccco1 ZINC000278828198 194173245 /nfs/dbraw/zinc/17/32/45/194173245.db2.gz CLMDJCKIUBGZPC-UONOGXRCSA-N 0 3 286.379 2.791 20 30 CFEDHN CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000278831241 194173955 /nfs/dbraw/zinc/17/39/55/194173955.db2.gz UBBACHYMAICDHL-OLZOCXBDSA-N 0 3 286.297 2.912 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000335390232 379208326 /nfs/dbraw/zinc/20/83/26/379208326.db2.gz VDNXHDHFPSJOQU-YUMQZZPRSA-N 0 3 254.692 2.816 20 30 CFEDHN N#Cc1ccc(CNCCc2ccccc2O)cc1 ZINC000171135386 379239169 /nfs/dbraw/zinc/23/91/69/379239169.db2.gz RJPGBKCDKWGMOE-UHFFFAOYSA-N 0 3 252.317 2.596 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](c3cccnc3)C2)c1 ZINC000335416188 379254710 /nfs/dbraw/zinc/25/47/10/379254710.db2.gz GFPJSOUFZANIMF-KRWDZBQOSA-N 0 3 263.344 2.943 20 30 CFEDHN CC[C@@H]1C[C@@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000334427984 379281161 /nfs/dbraw/zinc/28/11/61/379281161.db2.gz HQSPGWZHUXVIMT-TZMCWYRMSA-N 0 3 268.364 2.826 20 30 CFEDHN Cn1nccc1[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000334460786 379339982 /nfs/dbraw/zinc/33/99/82/379339982.db2.gz NVUIXCFVXPXYDE-ZDUSSCGKSA-N 0 3 286.404 2.733 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(Cl)ccc2F)CC1 ZINC000171722342 379384990 /nfs/dbraw/zinc/38/49/90/379384990.db2.gz RYCVYHNLDKOTOX-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3ccccc3n2)CC1 ZINC000171724865 379385549 /nfs/dbraw/zinc/38/55/49/379385549.db2.gz KYIVBQRRIWMUKZ-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000171725131 379387245 /nfs/dbraw/zinc/38/72/45/379387245.db2.gz DNTLBSQVQWAJQY-UHFFFAOYSA-N 0 3 292.810 2.649 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCOC2)c([O-])c1 ZINC000171648048 379364140 /nfs/dbraw/zinc/36/41/40/379364140.db2.gz HDTDGRGLECGTHJ-SWEABUAFSA-N 0 3 276.380 2.836 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@H]2C2(O)CC2)cc1F ZINC000334516079 379435540 /nfs/dbraw/zinc/43/55/40/379435540.db2.gz XHFQPGNURLYDFB-HNNXBMFYSA-N 0 3 274.339 2.577 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000334567500 379543096 /nfs/dbraw/zinc/54/30/96/379543096.db2.gz WUWGRXMZNPCWAS-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN(CC)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172730070 379635306 /nfs/dbraw/zinc/63/53/06/379635306.db2.gz DMGACGHLNCHQHA-OAHLLOKOSA-N 0 3 274.364 2.910 20 30 CFEDHN C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000172616428 379609430 /nfs/dbraw/zinc/60/94/30/379609430.db2.gz JVYXITQBHGPDTD-OMAIJTBJSA-N 0 3 297.402 2.513 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N1Cc1cnc2ccc(C#N)cn12 ZINC000335660178 379676041 /nfs/dbraw/zinc/67/60/41/379676041.db2.gz ATLLLQROAWNGFS-GXTWGEPZSA-N 0 3 268.364 2.969 20 30 CFEDHN Cc1ccc([C@H](CNc2ccc(C#N)nc2)N(C)C)cc1 ZINC000267362188 190323808 /nfs/dbraw/zinc/32/38/08/190323808.db2.gz IFLXFUZPRYOQAI-KRWDZBQOSA-N 0 3 280.375 2.977 20 30 CFEDHN CCO[C@@H](CCNCc1ccc(C#N)o1)C(C)C ZINC000173570851 379754526 /nfs/dbraw/zinc/75/45/26/379754526.db2.gz VWCNUKMLRQZFAH-AWEZNQCLSA-N 0 3 250.342 2.692 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](n3cccn3)C2)ccc1C#N ZINC000335699419 379744142 /nfs/dbraw/zinc/74/41/42/379744142.db2.gz YNAMVFOVVAFPCQ-QGZVFWFLSA-N 0 3 280.375 2.900 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cc1F ZINC000334672675 379744243 /nfs/dbraw/zinc/74/42/43/379744243.db2.gz WDMLBQLRAGCUGN-OAHLLOKOSA-N 0 3 297.333 2.965 20 30 CFEDHN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)o1 ZINC000335702482 379751368 /nfs/dbraw/zinc/75/13/68/379751368.db2.gz FBPGOAOXNBQKMC-AGUYFDCRSA-N 0 3 296.374 2.795 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)C[C@@H](C)CC)CC1 ZINC000173198189 379709567 /nfs/dbraw/zinc/70/95/67/379709567.db2.gz SXLQOPSYAUHISC-UONOGXRCSA-N 0 3 281.444 2.761 20 30 CFEDHN CCN(CC#Cc1ccc(Cl)cc1)CC(C)(C)O ZINC000267379848 190325666 /nfs/dbraw/zinc/32/56/66/190325666.db2.gz MFPWGRWMJGMHGL-UHFFFAOYSA-N 0 3 265.784 2.784 20 30 CFEDHN COc1cccc([C@@H](CNc2ccc(C#N)nc2)N(C)C)c1 ZINC000267447026 190331258 /nfs/dbraw/zinc/33/12/58/190331258.db2.gz ZZPHPSUUMLUZKZ-QGZVFWFLSA-N 0 3 296.374 2.677 20 30 CFEDHN COc1ccc(C2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000335775540 379868665 /nfs/dbraw/zinc/86/86/65/379868665.db2.gz TWQIBQUURKEIEU-LBPRGKRZSA-N 0 3 272.348 2.561 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@H]32)cc1F ZINC000335744036 379818223 /nfs/dbraw/zinc/81/82/23/379818223.db2.gz DJPNRZSJYWGVHS-GDBMZVCRSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(OCCNCc2cccc(F)c2)cc1 ZINC000174561182 379908833 /nfs/dbraw/zinc/90/88/33/379908833.db2.gz FMZRWUVUWCNSDH-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN C=CCCCC(=O)NCc1ccccc1OCCN(C)C ZINC000175471906 380071483 /nfs/dbraw/zinc/07/14/83/380071483.db2.gz DYKQZGBCSILUHF-UHFFFAOYSA-N 0 3 290.407 2.600 20 30 CFEDHN CCN1CC[C@@H](N(C)C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000335884321 380049633 /nfs/dbraw/zinc/04/96/33/380049633.db2.gz PTKNSIOKIBWINM-WCQYABFASA-N 0 3 291.420 2.565 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000268173319 190383065 /nfs/dbraw/zinc/38/30/65/190383065.db2.gz JOBHFVKRHPVMHF-HNNXBMFYSA-N 0 3 278.440 2.991 20 30 CFEDHN C[C@@H]1[C@H](C)N(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000336126059 380271984 /nfs/dbraw/zinc/27/19/84/380271984.db2.gz RGPREDLFMUESNR-UONOGXRCSA-N 0 3 276.811 2.716 20 30 CFEDHN C[C@@H]1Cc2ccccc2[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000336081467 380264158 /nfs/dbraw/zinc/26/41/58/380264158.db2.gz CJAGVWPGZQLTEH-SJKOYZFVSA-N 0 3 265.360 2.920 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000336083571 380264200 /nfs/dbraw/zinc/26/42/00/380264200.db2.gz FZLKLIMMJJZLAT-IUCAKERBSA-N 0 3 262.275 2.583 20 30 CFEDHN Cc1ccccc1C[C@H]1CCCN1C(=O)C(C)C#N ZINC000336001175 380219707 /nfs/dbraw/zinc/21/97/07/380219707.db2.gz UEFWEBMEHNTVLF-DZGCQCFKSA-N 0 3 256.349 2.688 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)N1CCC[C@@H](C)C1 ZINC000176947767 380286953 /nfs/dbraw/zinc/28/69/53/380286953.db2.gz HWNPBFIYLHMPGB-OLZOCXBDSA-N 0 3 277.437 2.830 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000336393725 380338504 /nfs/dbraw/zinc/33/85/04/380338504.db2.gz NKZKGVYKUBJTKI-XJKSGUPXSA-N 0 3 256.349 2.726 20 30 CFEDHN N#Cc1c(CN2CC[C@@H]([C@@H]3CCOC3)C2)cn2ccccc12 ZINC000336530378 380422118 /nfs/dbraw/zinc/42/21/18/380422118.db2.gz OBLLMQNWSJFQMA-HUUCEWRRSA-N 0 3 295.386 2.669 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000179106929 380510663 /nfs/dbraw/zinc/51/06/63/380510663.db2.gz ZMQKFABEKNVMEQ-RDTXWAMCSA-N 0 3 299.418 2.735 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000179106888 380511006 /nfs/dbraw/zinc/51/10/06/380511006.db2.gz ZMQKFABEKNVMEQ-KSSFIOAISA-N 0 3 299.418 2.735 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)s1 ZINC000336613092 380549755 /nfs/dbraw/zinc/54/97/55/380549755.db2.gz YDUPGNLJUWIABU-QWHCGFSZSA-N 0 3 276.405 2.868 20 30 CFEDHN C=CCCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179554382 380556542 /nfs/dbraw/zinc/55/65/42/380556542.db2.gz NTPXYQRQBVKXBZ-OAHLLOKOSA-N 0 3 258.365 2.516 20 30 CFEDHN C=C(C)CN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179569439 380558397 /nfs/dbraw/zinc/55/83/97/380558397.db2.gz SSGJZECMYJBUEQ-HNNXBMFYSA-N 0 3 258.365 2.516 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000336624173 380568492 /nfs/dbraw/zinc/56/84/92/380568492.db2.gz UYMXZMHLYIIGKV-GXTWGEPZSA-N 0 3 259.353 2.628 20 30 CFEDHN C=CCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000180230296 380636892 /nfs/dbraw/zinc/63/68/92/380636892.db2.gz CRMPMRCKRFNYEG-UHFFFAOYSA-N 0 3 287.407 2.771 20 30 CFEDHN CCCC[C@H](COC)NCc1ccc(OCC#N)cc1 ZINC000180553410 380676706 /nfs/dbraw/zinc/67/67/06/380676706.db2.gz FZDUJVDVEAWTIO-OAHLLOKOSA-N 0 3 276.380 2.884 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336802090 380655161 /nfs/dbraw/zinc/65/51/61/380655161.db2.gz SMPACHDUSGEHCA-LBPRGKRZSA-N 0 3 278.318 2.706 20 30 CFEDHN CC[C@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000181058580 380732640 /nfs/dbraw/zinc/73/26/40/380732640.db2.gz UUBJFMBIEMEGDH-HOCLYGCPSA-N 0 3 257.381 2.667 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccoc1 ZINC000181156163 380748892 /nfs/dbraw/zinc/74/88/92/380748892.db2.gz SHIBZVCYKMRJRJ-LBPRGKRZSA-N 0 3 256.305 2.881 20 30 CFEDHN COC[C@@H](C#N)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000181332929 380778008 /nfs/dbraw/zinc/77/80/08/380778008.db2.gz MTXLVWMIKMKHRQ-OAHLLOKOSA-N 0 3 287.407 2.999 20 30 CFEDHN C[C@@H](NCCCC#N)c1cccc(N2CCOC2=O)c1 ZINC000181333092 380778205 /nfs/dbraw/zinc/77/82/05/380778205.db2.gz XMCJVKUJVOYSGL-GFCCVEGCSA-N 0 3 273.336 2.598 20 30 CFEDHN C=CCSCCN[C@H](C)c1cc(OC)ncc1F ZINC000287310373 380800667 /nfs/dbraw/zinc/80/06/67/380800667.db2.gz CYKKYNJTBLHMHW-SNVBAGLBSA-N 0 3 270.373 2.799 20 30 CFEDHN C[C@H](NC(=O)c1ccc(C#N)o1)[C@H](c1ccccc1)N(C)C ZINC000347006805 380871992 /nfs/dbraw/zinc/87/19/92/380871992.db2.gz BPMHSKAETPRQCF-BLLLJJGKSA-N 0 3 297.358 2.572 20 30 CFEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000353816859 380873100 /nfs/dbraw/zinc/87/31/00/380873100.db2.gz FWGTTXIATMOEMV-NUTKFTJISA-N 0 3 299.418 2.902 20 30 CFEDHN COC(=O)CCC(C)(C)NCc1ccc(C#N)cc1F ZINC000358434943 380845843 /nfs/dbraw/zinc/84/58/43/380845843.db2.gz YYUFEMCRMQPVFL-UHFFFAOYSA-N 0 3 278.327 2.519 20 30 CFEDHN C#CC(C)(C)N(C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000279225250 194341836 /nfs/dbraw/zinc/34/18/36/194341836.db2.gz IOTCPGSHIMHDGG-UHFFFAOYSA-N 0 3 269.344 2.945 20 30 CFEDHN CCN(CCCN1CCCC1)c1nc(Cl)c(C#N)s1 ZINC000287747842 380928270 /nfs/dbraw/zinc/92/82/70/380928270.db2.gz MODXGGZXMNBXBO-UHFFFAOYSA-N 0 3 298.843 2.980 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@H]2CCCC[C@H]21 ZINC000368001033 380881077 /nfs/dbraw/zinc/88/10/77/380881077.db2.gz MMGVXXCKSZXNHG-UKRRQHHQSA-N 0 3 256.349 2.941 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)CN(C)C ZINC000358496333 380881643 /nfs/dbraw/zinc/88/16/43/380881643.db2.gz ITMOBFOLYGWKET-OAHLLOKOSA-N 0 3 289.423 2.724 20 30 CFEDHN C=C(CC)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000358492845 380882278 /nfs/dbraw/zinc/88/22/78/380882278.db2.gz BKHOBRSEEYYXQA-CQSZACIVSA-N 0 3 270.380 2.875 20 30 CFEDHN C=CCCCNCc1cc(OC)ccc1OCOC ZINC000279233933 194345582 /nfs/dbraw/zinc/34/55/82/194345582.db2.gz YZIVCHPGKBTUBZ-UHFFFAOYSA-N 0 3 265.353 2.734 20 30 CFEDHN C[C@H]1CCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279238082 194346406 /nfs/dbraw/zinc/34/64/06/194346406.db2.gz JRUXDEQHYGINBN-SMDDNHRTSA-N 0 3 282.347 2.886 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C2CC2)c1 ZINC000295500883 380897546 /nfs/dbraw/zinc/89/75/46/380897546.db2.gz SMRASCHHQPDBBU-CHWSQXEVSA-N 0 3 272.392 2.905 20 30 CFEDHN 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299.418 2.578 20 30 CFEDHN C=C(CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccccc1 ZINC000287862993 380959090 /nfs/dbraw/zinc/95/90/90/380959090.db2.gz DAGOSKLKXGFCKE-ZBFHGGJFSA-N 0 3 299.418 2.624 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000358567014 380933273 /nfs/dbraw/zinc/93/32/73/380933273.db2.gz ISYHPDGKLBLKJG-PGUXBMHVSA-N 0 3 262.328 2.915 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(C#N)s1 ZINC000287798099 380941922 /nfs/dbraw/zinc/94/19/22/380941922.db2.gz JMCOOWFQOCDONH-ZJUUUORDSA-N 0 3 296.827 2.731 20 30 CFEDHN CC(C)N1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000287802136 380943259 /nfs/dbraw/zinc/94/32/59/380943259.db2.gz JJZGRTZSCSBBIL-UHFFFAOYSA-N 0 3 284.816 2.589 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)C1CC1)c1ccc(C#N)cc1F ZINC000358580601 380945335 /nfs/dbraw/zinc/94/53/35/380945335.db2.gz YEQIHWPGBFJVHE-MEBBXXQBSA-N 0 3 262.328 2.509 20 30 CFEDHN CC[C@@H](COC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358581590 380945362 /nfs/dbraw/zinc/94/53/62/380945362.db2.gz 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/nfs/dbraw/zinc/02/72/56/381027256.db2.gz PEKJLCBLVHAZKV-CQSZACIVSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN(C)CCC ZINC000358650388 380991189 /nfs/dbraw/zinc/99/11/89/380991189.db2.gz OOKNHSIKFYCALT-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN Cc1cc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)on1 ZINC000353985474 380999143 /nfs/dbraw/zinc/99/91/43/380999143.db2.gz CKROEFJEEQRGOZ-NSHDSACASA-N 0 3 273.311 2.887 20 30 CFEDHN N#Cc1cccc(CC[NH2+]Cc2cc([O-])cc(F)c2)c1 ZINC000341468968 381030718 /nfs/dbraw/zinc/03/07/18/381030718.db2.gz AXRPQPADAZVDJS-UHFFFAOYSA-N 0 3 270.307 2.735 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccc(C#N)c(F)c1 ZINC000368508895 381050178 /nfs/dbraw/zinc/05/01/78/381050178.db2.gz VUSLQHZRRGHZEY-WLRQEKSISA-N 0 3 286.350 2.553 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)cc1 ZINC000182324092 381063809 /nfs/dbraw/zinc/06/38/09/381063809.db2.gz JJKAWLXAYDAADX-LSDHHAIUSA-N 0 3 287.407 2.654 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1cccc(C#N)c1F)C1CC1 ZINC000411962825 381072746 /nfs/dbraw/zinc/07/27/46/381072746.db2.gz BQFXWHZXSHEHJN-ZBEGNZNMSA-N 0 3 276.355 2.991 20 30 CFEDHN COc1ccc(CNCCc2cccc(C#N)c2)c(OC)c1 ZINC000341480467 381039495 /nfs/dbraw/zinc/03/94/95/381039495.db2.gz ISHOPNNLCJRTEL-UHFFFAOYSA-N 0 3 296.370 2.908 20 30 CFEDHN Cc1ccnc2ccc(C(=O)C(C#N)c3ccncn3)cc12 ZINC000354044699 381044197 /nfs/dbraw/zinc/04/41/97/381044197.db2.gz LUQRYBMPRYRKCN-CQSZACIVSA-N 0 3 288.310 2.823 20 30 CFEDHN CC[C@@H](NCCCSCC#N)c1c(C)noc1C ZINC000182394754 381081236 /nfs/dbraw/zinc/08/12/36/381081236.db2.gz SYRDBRHSFYGVPS-GFCCVEGCSA-N 0 3 267.398 2.979 20 30 CFEDHN Cc1cccc2c1OC[C@@H](NCc1cccc(C#N)c1)C2 ZINC000289663416 381091999 /nfs/dbraw/zinc/09/19/99/381091999.db2.gz RCMKVFJUSMATKK-KRWDZBQOSA-N 0 3 278.355 2.960 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)c1cccc(C#N)c1 ZINC000354180454 381123101 /nfs/dbraw/zinc/12/31/01/381123101.db2.gz IEHUNMXJCYDBTM-UHFFFAOYSA-N 0 3 293.370 2.915 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC)[C@H](C)C(C)C)CC1 ZINC000358826270 381108562 /nfs/dbraw/zinc/10/85/62/381108562.db2.gz HNHHTPBHSYIYKJ-CQSZACIVSA-N 0 3 281.444 2.713 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000289710414 381115900 /nfs/dbraw/zinc/11/59/00/381115900.db2.gz JBQHFHFBYCJVBS-UHFFFAOYSA-N 0 3 292.358 2.501 20 30 CFEDHN CN(CC[C@@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000347388520 381117587 /nfs/dbraw/zinc/11/75/87/381117587.db2.gz DCYLOFTZANYBQD-INIZCTEOSA-N 0 3 258.365 2.949 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000289778629 381152426 /nfs/dbraw/zinc/15/24/26/381152426.db2.gz MOFOIDDTLPFHGU-CMPLNLGQSA-N 0 3 267.394 2.615 20 30 CFEDHN Cc1cnn([C@@H]2CCN(Cc3cccc(C#N)c3)C2)c1 ZINC000289922528 381218983 /nfs/dbraw/zinc/21/89/83/381218983.db2.gz OQPJXNRIGLWAAE-MRXNPFEDSA-N 0 3 266.348 2.510 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359003830 381209022 /nfs/dbraw/zinc/20/90/22/381209022.db2.gz OKWYJCWJEFBIFB-CZUORRHYSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](CC(C)C)C1 ZINC000342129602 381212059 /nfs/dbraw/zinc/21/20/59/381212059.db2.gz CCWDMZSUWSKDKW-JKSUJKDBSA-N 0 3 278.440 2.944 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000290012369 381260916 /nfs/dbraw/zinc/26/09/16/381260916.db2.gz ZZXJGFCWUDGURR-KGLIPLIRSA-N 0 3 290.407 2.664 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000290012371 381261639 /nfs/dbraw/zinc/26/16/39/381261639.db2.gz ZZXJGFCWUDGURR-ZIAGYGMSSA-N 0 3 290.407 2.664 20 30 CFEDHN C[C@H](NCCN1CC=CCC1)c1ccc(C#N)cc1F ZINC000359063533 381242274 /nfs/dbraw/zinc/24/22/74/381242274.db2.gz FDRHOUFWGVZFGZ-ZDUSSCGKSA-N 0 3 273.355 2.610 20 30 CFEDHN CC(=O)NCC[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000347683687 381296747 /nfs/dbraw/zinc/29/67/47/381296747.db2.gz YDGWIYYOMQGCOE-GDBMZVCRSA-N 0 3 299.418 2.857 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000347700840 381304047 /nfs/dbraw/zinc/30/40/47/381304047.db2.gz HAHBWGBJKAKKBW-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296217118 381304932 /nfs/dbraw/zinc/30/49/32/381304932.db2.gz KAIIZYBODAQONT-LSDHHAIUSA-N 0 3 283.799 2.632 20 30 CFEDHN COc1cc([C@H](C)NCCOc2ccc(C#N)cc2)ccn1 ZINC000347653112 381278888 /nfs/dbraw/zinc/27/88/88/381278888.db2.gz SJVYPOYVACGYSV-ZDUSSCGKSA-N 0 3 297.358 2.691 20 30 CFEDHN N#CC(C(=O)c1ccc(Cl)cc1)c1ccncn1 ZINC000354457301 381283099 /nfs/dbraw/zinc/28/30/99/381283099.db2.gz ALXHRJXQULJKOP-NSHDSACASA-N 0 3 257.680 2.620 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC(C)(C)CC(C)(C)C1 ZINC000342341325 381285787 /nfs/dbraw/zinc/28/57/87/381285787.db2.gz SUNVJSCQIWBFAY-CYBMUJFWSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CC[C@@H](CC)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000369753590 381325550 /nfs/dbraw/zinc/32/55/50/381325550.db2.gz FYFXISYMUQDMJR-OCCSQVGLSA-N 0 3 297.395 2.989 20 30 CFEDHN C=CCCCCCCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000290180073 381331491 /nfs/dbraw/zinc/33/14/91/381331491.db2.gz RVTPFGSUSPNFIB-UHFFFAOYSA-N 0 3 277.412 2.943 20 30 CFEDHN C#C[C@H](NCc1ccc2c(c1)ncn2C)C(C)(C)C ZINC000290176521 381331682 /nfs/dbraw/zinc/33/16/82/381331682.db2.gz NJGDSUXOXQJXFM-HNNXBMFYSA-N 0 3 255.365 2.711 20 30 CFEDHN CC(C)N(C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000183907976 381338307 /nfs/dbraw/zinc/33/83/07/381338307.db2.gz RWQPCTPAQADJIA-UHFFFAOYSA-N 0 3 293.455 2.941 20 30 CFEDHN Cc1cccc([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)c1C ZINC000183709463 381308671 /nfs/dbraw/zinc/30/86/71/381308671.db2.gz RQSIGUDVRZZOJD-KBXCAEBGSA-N 0 3 299.418 2.763 20 30 CFEDHN C=CCCOCCNCc1ccc(COCCOC)cc1 ZINC000290244483 381355355 /nfs/dbraw/zinc/35/53/55/381355355.db2.gz ZUVFZXRTHIVAQB-UHFFFAOYSA-N 0 3 293.407 2.532 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1cc(C#N)ccc1NC ZINC000359349493 381366232 /nfs/dbraw/zinc/36/62/32/381366232.db2.gz WGXYRMFFKSFFMN-AWEZNQCLSA-N 0 3 288.395 2.705 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)c1nccs1 ZINC000184288996 381396853 /nfs/dbraw/zinc/39/68/53/381396853.db2.gz TZLAFTFPJWITAA-SECBINFHSA-N 0 3 263.391 2.970 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](SC)C1 ZINC000296441349 381397410 /nfs/dbraw/zinc/39/74/10/381397410.db2.gz WBJULQROHUTQMV-CYBMUJFWSA-N 0 3 262.378 2.504 20 30 CFEDHN C=CC[C@H](C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000342592106 381421639 /nfs/dbraw/zinc/42/16/39/381421639.db2.gz MEDYIWQPLRBVLO-ZDUSSCGKSA-N 0 3 291.395 2.713 20 30 CFEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@@H](O)C(F)F ZINC000296493897 381420166 /nfs/dbraw/zinc/42/01/66/381420166.db2.gz OTUOLRWUHIMDFB-JIMOISOXSA-N 0 3 268.307 2.613 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H](CC)N(CC)CC ZINC000359561105 381471330 /nfs/dbraw/zinc/47/13/30/381471330.db2.gz MYEDMMUCPVQDKF-LLVKDONJSA-N 0 3 280.334 2.684 20 30 CFEDHN CN(CC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348212422 381471977 /nfs/dbraw/zinc/47/19/77/381471977.db2.gz WNACESFAYHOBCC-HNNXBMFYSA-N 0 3 283.375 2.745 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359566500 381475308 /nfs/dbraw/zinc/47/53/08/381475308.db2.gz VVDYNSSWWIKRQH-NVXWUHKLSA-N 0 3 276.424 2.699 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CCCC2)cc1 ZINC000348132421 381464494 /nfs/dbraw/zinc/46/44/94/381464494.db2.gz ZFBXWRQFVMWBCX-QGZVFWFLSA-N 0 3 295.386 2.937 20 30 CFEDHN C=CCN(CCOC)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000348168542 381468124 /nfs/dbraw/zinc/46/81/24/381468124.db2.gz MPJGATCAYNPGPY-LJQANCHMSA-N 0 3 299.414 2.878 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1OC ZINC000342739040 381509464 /nfs/dbraw/zinc/50/94/64/381509464.db2.gz VCKILFIZTAGZCL-CQSZACIVSA-N 0 3 290.407 2.723 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1ccc(C#N)s1 ZINC000290654377 381511989 /nfs/dbraw/zinc/51/19/89/381511989.db2.gz ZFLQGQATRXEXRH-UHFFFAOYSA-N 0 3 274.393 2.647 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000342739302 381512238 /nfs/dbraw/zinc/51/22/38/381512238.db2.gz VBPJTZBVBCZTEJ-MJBXVCDLSA-N 0 3 252.402 2.672 20 30 CFEDHN CN(C)[C@H](CNc1cccnc1C#N)c1ccsc1 ZINC000290603701 381495502 /nfs/dbraw/zinc/49/55/02/381495502.db2.gz ZGTKHKAYFGLTKD-CQSZACIVSA-N 0 3 272.377 2.730 20 30 CFEDHN CCOC(=O)C[C@@](C)(NCc1ccc(C#N)o1)C(C)C ZINC000185235116 381573103 /nfs/dbraw/zinc/57/31/03/381573103.db2.gz UUNSYLVQVHVFMV-OAHLLOKOSA-N 0 3 278.352 2.609 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000290790661 381553451 /nfs/dbraw/zinc/55/34/51/381553451.db2.gz OIQXIJIBTINKPG-MFKMUULPSA-N 0 3 286.335 2.504 20 30 CFEDHN CC(C)[C@@H](CC(F)(F)F)NCc1cc(C#N)n(C)c1 ZINC000359683905 381555238 /nfs/dbraw/zinc/55/52/38/381555238.db2.gz YRAWDFHDBHRWEI-GFCCVEGCSA-N 0 3 273.302 2.963 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccc(C#N)o1 ZINC000185196243 381560895 /nfs/dbraw/zinc/56/08/95/381560895.db2.gz IUHDOQHNDPLLLM-GJZGRUSLSA-N 0 3 262.353 2.835 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414131889 381561800 /nfs/dbraw/zinc/56/18/00/381561800.db2.gz YMKAIYAAAPNGAT-CQSZACIVSA-N 0 3 288.439 2.520 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000290936458 381603383 /nfs/dbraw/zinc/60/33/83/381603383.db2.gz PIZPUQVRGGKOQD-QGZVFWFLSA-N 0 3 265.360 2.620 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1CCC[C@@H]1OC(F)F ZINC000348521164 381606319 /nfs/dbraw/zinc/60/63/19/381606319.db2.gz NQGMJVITELBXCN-JSGCOSHPSA-N 0 3 296.317 2.817 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@@H](C2CCC2)C1 ZINC000414472305 381586231 /nfs/dbraw/zinc/58/62/31/381586231.db2.gz NUPMGQKPDKEDPB-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000185292820 381588582 /nfs/dbraw/zinc/58/85/82/381588582.db2.gz KDOTUGMGFQCYST-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000298409842 381613001 /nfs/dbraw/zinc/61/30/01/381613001.db2.gz FLCBDIVWPWEZSG-KGLIPLIRSA-N 0 3 250.773 2.774 20 30 CFEDHN N#CC(C(=O)c1ccnc2ccncc21)c1ccccn1 ZINC000355107791 381615597 /nfs/dbraw/zinc/61/55/97/381615597.db2.gz ZGSROKKTOVHFOT-LBPRGKRZSA-N 0 3 274.283 2.515 20 30 CFEDHN C#CCCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000371450726 381629069 /nfs/dbraw/zinc/62/90/69/381629069.db2.gz NPNNNDKAFINZMR-GFCCVEGCSA-N 0 3 284.281 2.577 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCCO[C@H]2c2ccncc2)c1 ZINC000342932432 381623174 /nfs/dbraw/zinc/62/31/74/381623174.db2.gz BJPOCDABZZAYAH-ROUUACIJSA-N 0 3 293.370 2.963 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN(CC)CC ZINC000298470942 381640527 /nfs/dbraw/zinc/64/05/27/381640527.db2.gz PKNQATKNUVMQDI-UHFFFAOYSA-N 0 3 287.407 2.639 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000355143264 381641307 /nfs/dbraw/zinc/64/13/07/381641307.db2.gz ZXYVQLFRSNEFIT-COLVAYQJSA-N 0 3 276.355 2.846 20 30 CFEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1OCC ZINC000298553725 381672108 /nfs/dbraw/zinc/67/21/08/381672108.db2.gz OLOSMBYCNQZWOM-UHFFFAOYSA-N 0 3 288.391 2.758 20 30 CFEDHN CC(C)CNC(=O)C(C#N)c1nccc2ccccc21 ZINC000359922354 381680376 /nfs/dbraw/zinc/68/03/76/381680376.db2.gz GQJBQOFCXPQQEK-AWEZNQCLSA-N 0 3 267.332 2.614 20 30 CFEDHN N#CC(C(=O)NCC(F)(F)F)c1nccc2ccccc21 ZINC000359921536 381680474 /nfs/dbraw/zinc/68/04/74/381680474.db2.gz CQQBSVSKIVDNPE-LLVKDONJSA-N 0 3 293.248 2.520 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000343391683 381682105 /nfs/dbraw/zinc/68/21/05/381682105.db2.gz FDBMESRRDNQEGI-HUUCEWRRSA-N 0 3 285.372 2.635 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000371707700 381684733 /nfs/dbraw/zinc/68/47/33/381684733.db2.gz CZLIXUWRRQQDLB-GDBMZVCRSA-N 0 3 279.355 2.606 20 30 CFEDHN CN(CCc1nccs1)Cc1ccc(CC#N)cc1 ZINC000343409547 381691605 /nfs/dbraw/zinc/69/16/05/381691605.db2.gz ALGRRHDFAXOLQO-UHFFFAOYSA-N 0 3 271.389 2.884 20 30 CFEDHN Cc1ccnc(NCCN2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000343478192 381741277 /nfs/dbraw/zinc/74/12/77/381741277.db2.gz PNALGDKPMFKWNY-OKILXGFUSA-N 0 3 272.396 2.937 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N[C@H]2COc3ccccc3C2)C1 ZINC000185818723 381744118 /nfs/dbraw/zinc/74/41/18/381744118.db2.gz OHBVXQZFOGQOPS-NWANDNLSSA-N 0 3 256.349 2.662 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](CO)C/C=C/C)c1 ZINC000185826452 381748091 /nfs/dbraw/zinc/74/80/91/381748091.db2.gz IPYPGOLXDLOGJU-SJDLMVEWSA-N 0 3 261.365 2.668 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000372096207 381750965 /nfs/dbraw/zinc/75/09/65/381750965.db2.gz RGTKBKOLJHTNLZ-CQSZACIVSA-N 0 3 276.355 2.946 20 30 CFEDHN Cc1ccnc(N(CCN(C)C)Cc2ccccc2)c1C#N ZINC000343542714 381784583 /nfs/dbraw/zinc/78/45/83/381784583.db2.gz YGSSIAMDKOPECG-UHFFFAOYSA-N 0 3 294.402 2.830 20 30 CFEDHN COC(=O)CCCCCNCc1ccc(C#N)cc1F ZINC000348902381 381760607 /nfs/dbraw/zinc/76/06/07/381760607.db2.gz BVXFANICHAFLFH-UHFFFAOYSA-N 0 3 278.327 2.520 20 30 CFEDHN Cc1ccnc(NC[C@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000343512947 381763681 /nfs/dbraw/zinc/76/36/81/381763681.db2.gz PMVFBSLHNKGENF-KBPBESRZSA-N 0 3 272.396 2.937 20 30 CFEDHN CC[C@@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000298858789 381768364 /nfs/dbraw/zinc/76/83/64/381768364.db2.gz JLPYXKJFFHLEJR-BBRMVZONSA-N 0 3 287.407 2.808 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC000298893652 381777099 /nfs/dbraw/zinc/77/70/99/381777099.db2.gz MMVVITYLLUNXAO-MRXNPFEDSA-N 0 3 274.408 2.584 20 30 CFEDHN CC#CCCN1CCN(Cc2ccccc2C)CC1 ZINC000360453545 381779824 /nfs/dbraw/zinc/77/98/24/381779824.db2.gz FFBRALWXFNGMLM-UHFFFAOYSA-N 0 3 256.393 2.526 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CCC)CCC1 ZINC000343615110 381844523 /nfs/dbraw/zinc/84/45/23/381844523.db2.gz CMFYOQIOFLAULR-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCCCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186104187 381825072 /nfs/dbraw/zinc/82/50/72/381825072.db2.gz ZIVHLJAPAPOTIH-HNNXBMFYSA-N 0 3 293.432 2.550 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361468525 381834511 /nfs/dbraw/zinc/83/45/11/381834511.db2.gz HCAGKWFTPMZTAF-ZIAGYGMSSA-N 0 3 279.428 2.505 20 30 CFEDHN CC1(C)C(NCc2cnc3ccc(C#N)cn23)C1(C)C ZINC000349144085 381834734 /nfs/dbraw/zinc/83/47/34/381834734.db2.gz CFEFJGBNHDNLMD-UHFFFAOYSA-N 0 3 268.364 2.730 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(CC1CC1)CC1CCC1 ZINC000361564257 381845233 /nfs/dbraw/zinc/84/52/33/381845233.db2.gz INSGVDXXIGSOMF-QGZVFWFLSA-N 0 3 291.439 2.553 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC1CC1)CC1CCC1 ZINC000361564798 381845338 /nfs/dbraw/zinc/84/53/38/381845338.db2.gz KQSPQHTUESAHAE-AWEZNQCLSA-N 0 3 291.439 2.507 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000343564265 381802060 /nfs/dbraw/zinc/80/20/60/381802060.db2.gz RHSSYRYMSGEEEZ-INMHGKMJSA-N 0 3 286.419 2.945 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCN(C3CCC3)C[C@@H](C)C2)n1 ZINC000292434812 381805083 /nfs/dbraw/zinc/80/50/83/381805083.db2.gz XRJIJOWHTUYTSM-CYBMUJFWSA-N 0 3 298.434 2.881 20 30 CFEDHN CC(C)CO[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343585401 381818310 /nfs/dbraw/zinc/81/83/10/381818310.db2.gz TWVDNIAHWXAZAZ-QGZVFWFLSA-N 0 3 272.392 3.000 20 30 CFEDHN C=CCCCN(C)C(=O)CCN1CCc2ccccc2C1 ZINC000416165719 381881942 /nfs/dbraw/zinc/88/19/42/381881942.db2.gz HOIWVFFTWSLXEK-UHFFFAOYSA-N 0 3 286.419 2.859 20 30 CFEDHN C=CCCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416225506 381883122 /nfs/dbraw/zinc/88/31/22/381883122.db2.gz SOUHCSQDDQYLRG-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN N#CCc1ccc(CN2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000343617761 381846119 /nfs/dbraw/zinc/84/61/19/381846119.db2.gz SXYDYXJGBCUFCD-SFHVURJKSA-N 0 3 293.370 2.801 20 30 CFEDHN C=CCCC1(C(=O)NC[C@@H]2CCCN2CCC)CC1 ZINC000343630208 381854124 /nfs/dbraw/zinc/85/41/24/381854124.db2.gz PSRVOROFSBTNKY-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(C)n1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000361654459 381854787 /nfs/dbraw/zinc/85/47/87/381854787.db2.gz KUPLEZQESGSCTA-LLVKDONJSA-N 0 3 293.330 2.830 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H](O)C23CCCC3)ccc1F ZINC000292844263 381860719 /nfs/dbraw/zinc/86/07/19/381860719.db2.gz VCMBYQDPMTVEPB-OAHLLOKOSA-N 0 3 274.339 2.577 20 30 CFEDHN CC1(C)CCC[C@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299222264 381861784 /nfs/dbraw/zinc/86/17/84/381861784.db2.gz HYAMEOCMDCNSDD-JKSUJKDBSA-N 0 3 297.402 2.832 20 30 CFEDHN Cc1ccsc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292848485 381862585 /nfs/dbraw/zinc/86/25/85/381862585.db2.gz SYONWTOWUFABPZ-AWEZNQCLSA-N 0 3 299.399 2.977 20 30 CFEDHN C=C[C@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415963174 381870735 /nfs/dbraw/zinc/87/07/35/381870735.db2.gz VCGHNBLWWNEEKW-QMMMGPOBSA-N 0 3 287.285 2.860 20 30 CFEDHN CC(C)(O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362103308 381911569 /nfs/dbraw/zinc/91/15/69/381911569.db2.gz RIIZOSDMITUKNC-UHFFFAOYSA-N 0 3 270.376 2.808 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000299402323 381925525 /nfs/dbraw/zinc/92/55/25/381925525.db2.gz WCOWCLYPZVFLEC-INIZCTEOSA-N 0 3 258.365 2.948 20 30 CFEDHN N#Cc1ccc(CNCCn2cnc3ccccc32)c(F)c1 ZINC000343757764 381926536 /nfs/dbraw/zinc/92/65/36/381926536.db2.gz AYVAFRZOZAFDNK-UHFFFAOYSA-N 0 3 294.333 2.837 20 30 CFEDHN COc1ccc(CN(C)Cc2ccc(O)cc2)cc1C#N ZINC000349412460 381928138 /nfs/dbraw/zinc/92/81/38/381928138.db2.gz CKPYJHHAXRXNRV-UHFFFAOYSA-N 0 3 282.343 2.904 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000362147289 381928888 /nfs/dbraw/zinc/92/88/88/381928888.db2.gz QALUBEOWDNUIIP-ZNMIVQPWSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000343761080 381929371 /nfs/dbraw/zinc/92/93/71/381929371.db2.gz DAOTWPMBOCOQQW-OAHLLOKOSA-N 0 3 291.439 2.635 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1ccc(C#N)cn1 ZINC000299314758 381893401 /nfs/dbraw/zinc/89/34/01/381893401.db2.gz HXRXCMLUHVNOBW-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C=CCC(C)(C)CNCc1cc(C(N)=O)cs1 ZINC000293041979 381962931 /nfs/dbraw/zinc/96/29/31/381962931.db2.gz SLSYNWFNBFJAOR-UHFFFAOYSA-N 0 3 252.383 2.539 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@@H]1CC[C@H](C)C1 ZINC000362156769 381932895 /nfs/dbraw/zinc/93/28/95/381932895.db2.gz NXUMCMHOFYWBPC-JKSUJKDBSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000343772704 381935537 /nfs/dbraw/zinc/93/55/37/381935537.db2.gz WYUMODQDIGQSIA-HUUCEWRRSA-N 0 3 266.429 2.968 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000350050677 382004463 /nfs/dbraw/zinc/00/44/63/382004463.db2.gz DSUQRQFVOJYEAL-CJNGLKHVSA-N 0 3 279.428 2.553 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC)C2CCC2)CC1 ZINC000350106336 382005323 /nfs/dbraw/zinc/00/53/23/382005323.db2.gz RMPCZIHIHJXROC-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCCCC(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000362326497 382008305 /nfs/dbraw/zinc/00/83/05/382008305.db2.gz NBYIJJXHWAQLDJ-UHFFFAOYSA-N 0 3 290.411 2.664 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@](O)(C3CC3)C2)c1 ZINC000373328541 381979747 /nfs/dbraw/zinc/97/97/47/381979747.db2.gz OSEVWNPHFGUGJR-QGZVFWFLSA-N 0 3 273.376 2.598 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000343854301 381982913 /nfs/dbraw/zinc/98/29/13/381982913.db2.gz ITFPWKOVLJKIME-JYJNAYRXSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCC(F)(F)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000293103194 381991225 /nfs/dbraw/zinc/99/12/25/381991225.db2.gz NYNBAMTXTAWTQF-UHFFFAOYSA-N 0 3 298.333 2.777 20 30 CFEDHN COc1cc2c(cc1CN[C@@H]1CC[C@H](C#N)C1)O[C@@H](C)C2 ZINC000349826844 381993521 /nfs/dbraw/zinc/99/35/21/381993521.db2.gz FCBXULFODGLVNZ-SLEUVZQESA-N 0 3 286.375 2.800 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000351528459 382042427 /nfs/dbraw/zinc/04/24/27/382042427.db2.gz DMISTELYGNZWFL-YUMQZZPRSA-N 0 3 250.264 2.629 20 30 CFEDHN CO[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000374662288 382051278 /nfs/dbraw/zinc/05/12/78/382051278.db2.gz NFKBEGNIGILDMY-INIZCTEOSA-N 0 3 261.340 2.678 20 30 CFEDHN COc1cccc([C@@H]2[C@@H](NCCCC#N)CCN2C2CC2)c1 ZINC000374847298 382059093 /nfs/dbraw/zinc/05/90/93/382059093.db2.gz UOXCDABAWUGNLT-ZWKOTPCHSA-N 0 3 299.418 2.866 20 30 CFEDHN C=C(C)CCN1CCc2ccc(C(=O)OC)cc2C1 ZINC000351759785 382062300 /nfs/dbraw/zinc/06/23/00/382062300.db2.gz TTXUZYFTESAZRH-UHFFFAOYSA-N 0 3 259.349 2.798 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000351837354 382065025 /nfs/dbraw/zinc/06/50/25/382065025.db2.gz MIPORASFBPHDNP-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN CCOC(=O)[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000186984677 382066231 /nfs/dbraw/zinc/06/62/31/382066231.db2.gz YSGCBMFSRHGHIX-CZUORRHYSA-N 0 3 286.375 2.894 20 30 CFEDHN C=C(C)CCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000351871895 382067142 /nfs/dbraw/zinc/06/71/42/382067142.db2.gz AXZVGRDUOHWSLX-OAHLLOKOSA-N 0 3 258.365 2.690 20 30 CFEDHN O=C(N[C@H]1CCN(C2CC2)C1)c1c[nH]nc1-c1ccccc1 ZINC000329229955 227366500 /nfs/dbraw/zinc/36/65/00/227366500.db2.gz DAGPIRFIDHFARB-ZDUSSCGKSA-N 0 3 296.374 2.618 20 30 CFEDHN C=C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000362370673 382031071 /nfs/dbraw/zinc/03/10/71/382031071.db2.gz MNJNYQLBIXAEIF-GDBMZVCRSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000362372449 382032282 /nfs/dbraw/zinc/03/22/82/382032282.db2.gz ZVJTZDIIIQNIIG-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN C#CCN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375853832 382107916 /nfs/dbraw/zinc/10/79/16/382107916.db2.gz REPMIKFMONTGEL-AWEZNQCLSA-N 0 3 283.293 2.630 20 30 CFEDHN Cc1ncccc1O[C@H]1CCN(CCCCC#N)C1 ZINC000375973312 382113666 /nfs/dbraw/zinc/11/36/66/382113666.db2.gz GVADIQOEAZQFBD-AWEZNQCLSA-N 0 3 259.353 2.537 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376013674 382114953 /nfs/dbraw/zinc/11/49/53/382114953.db2.gz JFFJQJCFPRCJOB-KBRIMQKVSA-N 0 3 286.375 2.731 20 30 CFEDHN COC1(CCN(C)Cc2ccc(C#N)cc2)CCC1 ZINC000293576238 382182387 /nfs/dbraw/zinc/18/23/87/382182387.db2.gz SWJLJYGKMQJSKK-UHFFFAOYSA-N 0 3 258.365 2.949 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@@H]2OCCc3ccccc32)C1 ZINC000376478389 382137062 /nfs/dbraw/zinc/13/70/62/382137062.db2.gz OQZNMMZWHYEYLI-KMFMINBZSA-N 0 3 270.376 2.972 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000357385753 382145627 /nfs/dbraw/zinc/14/56/27/382145627.db2.gz XNIPESFKJGESHM-IIAWOOMASA-N 0 3 279.428 2.551 20 30 CFEDHN CN(CCOc1ccccc1C#N)CCc1ccccc1O ZINC000344155439 382164902 /nfs/dbraw/zinc/16/49/02/382164902.db2.gz UJPSKBWJVNFIQT-UHFFFAOYSA-N 0 3 296.370 2.817 20 30 CFEDHN C[C@@H]1C[C@H](N(C)c2cccc(F)c2C#N)CCN1C ZINC000301397970 382168259 /nfs/dbraw/zinc/16/82/59/382168259.db2.gz AKGRWQGYWZXRFL-VXGBXAGGSA-N 0 3 261.344 2.616 20 30 CFEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000344209526 382201062 /nfs/dbraw/zinc/20/10/62/382201062.db2.gz ALGUPVUPENMEQB-JTQLQIEISA-N 0 3 280.393 2.830 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@](C)(CC)C1 ZINC000344225814 382211852 /nfs/dbraw/zinc/21/18/52/382211852.db2.gz YNZCILOCBWJHIE-ZBFHGGJFSA-N 0 3 264.413 2.698 20 30 CFEDHN CC1CCC(N2CCN(c3cccnc3C#N)CC2)CC1 ZINC000357538132 382216157 /nfs/dbraw/zinc/21/61/57/382216157.db2.gz VETSCYQELDWUKJ-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN CN1CCC[C@@H]2CN(c3snc(Cl)c3C#N)CC[C@@H]21 ZINC000301709791 382188784 /nfs/dbraw/zinc/18/87/84/382188784.db2.gz JUMILPQDKNFUNB-KOLCDFICSA-N 0 3 296.827 2.589 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000345053518 382280952 /nfs/dbraw/zinc/28/09/52/382280952.db2.gz UHTRNCVRAYXJLK-JTQLQIEISA-N 0 3 262.740 2.647 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419325661 382285527 /nfs/dbraw/zinc/28/55/27/382285527.db2.gz LHTQHSDGNDBYMT-LSDHHAIUSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CC[C@H](C)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363707467 382243119 /nfs/dbraw/zinc/24/31/19/382243119.db2.gz QQCQYEFGGXGFNI-GXFFZTMASA-N 0 3 283.368 2.598 20 30 CFEDHN CC[C@@H](CN1CCC(Oc2ccc(C#N)cc2)CC1)OC ZINC000419223428 382248963 /nfs/dbraw/zinc/24/89/63/382248963.db2.gz YGQCEUJYEKZGJK-HNNXBMFYSA-N 0 3 288.391 2.826 20 30 CFEDHN Cc1nn(C)cc1[C@@H]1CCCN1CCCSCC#N ZINC000363928047 382251104 /nfs/dbraw/zinc/25/11/04/382251104.db2.gz YFAFGBPCDSSLKY-AWEZNQCLSA-N 0 3 278.425 2.512 20 30 CFEDHN COCC1=CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187728892 382257424 /nfs/dbraw/zinc/25/74/24/382257424.db2.gz DDROIWAZBWXYDI-CYBMUJFWSA-N 0 3 256.349 2.898 20 30 CFEDHN C=CCN1CCC(NC(=O)CC2(C)CCCC2)CC1 ZINC000345222471 382291286 /nfs/dbraw/zinc/29/12/86/382291286.db2.gz LBYBEOOJXTWILO-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000419373633 382302487 /nfs/dbraw/zinc/30/24/87/382302487.db2.gz ONPHCDZAPTVWQM-UMPJEAMMSA-N 0 3 297.402 2.640 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000357788656 382322405 /nfs/dbraw/zinc/32/24/05/382322405.db2.gz CXKNVGZUYXMHNU-LLVKDONJSA-N 0 3 299.305 2.789 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2ccccc2C#N)C1 ZINC000188012237 382324716 /nfs/dbraw/zinc/32/47/16/382324716.db2.gz XZTZCJWFXLFSDH-CZUORRHYSA-N 0 3 258.365 2.541 20 30 CFEDHN CN(C)C(=O)C[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000345968946 382325170 /nfs/dbraw/zinc/32/51/70/382325170.db2.gz JGBJQYITJXESET-OAHLLOKOSA-N 0 3 287.407 2.735 20 30 CFEDHN C=C[C@@H](CO)NCc1cccc(OCc2ccccc2)c1 ZINC000352452199 382340151 /nfs/dbraw/zinc/34/01/51/382340151.db2.gz CFSDKUYDQKAMBG-KRWDZBQOSA-N 0 3 283.371 2.902 20 30 CFEDHN CC(C#N)C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000345232965 382293467 /nfs/dbraw/zinc/29/34/67/382293467.db2.gz DWZDMELZVNEKHE-OAHLLOKOSA-N 0 3 293.370 2.813 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@H](C)c1ccccc1C ZINC000293971115 382360883 /nfs/dbraw/zinc/36/08/83/382360883.db2.gz MAADLSFUHXIHKT-INIZCTEOSA-N 0 3 286.419 2.560 20 30 CFEDHN C[C@H]1CC[C@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC000365264638 382368426 /nfs/dbraw/zinc/36/84/26/382368426.db2.gz VYNGYFLDHJQSDO-BBRMVZONSA-N 0 3 257.381 2.909 20 30 CFEDHN C[C@H]1CC[C@@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC000365264641 382368677 /nfs/dbraw/zinc/36/86/77/382368677.db2.gz VYNGYFLDHJQSDO-XJKSGUPXSA-N 0 3 257.381 2.909 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCCC(CC)(CC)CC1 ZINC000346470030 382376467 /nfs/dbraw/zinc/37/64/67/382376467.db2.gz MLKHLWHRRHCQHV-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000352539788 382386511 /nfs/dbraw/zinc/38/65/11/382386511.db2.gz CROHQRUGQCKUNN-JKIFEVAISA-N 0 3 297.402 2.641 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378063318 382392923 /nfs/dbraw/zinc/39/29/23/382392923.db2.gz WIYVVJQYDVLHDA-IRXDYDNUSA-N 0 3 282.387 2.856 20 30 CFEDHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305841638 382448265 /nfs/dbraw/zinc/44/82/65/382448265.db2.gz ZMDULHUNVLRIMM-GHJWDPDVSA-N 0 3 276.355 2.899 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1c(Cl)cccc1C#N ZINC000420637427 382438146 /nfs/dbraw/zinc/43/81/46/382438146.db2.gz ONCAKWFDPKMZNR-LBPRGKRZSA-N 0 3 263.772 2.742 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccccc1F)C1CCCC1 ZINC000305035887 382419670 /nfs/dbraw/zinc/41/96/70/382419670.db2.gz YTLCLPXCTWPLML-MRXNPFEDSA-N 0 3 261.340 2.737 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000304975246 382419811 /nfs/dbraw/zinc/41/98/11/382419811.db2.gz CAIRNNPVZGJLIM-MRXNPFEDSA-N 0 3 261.340 2.737 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@@H]2C=CCCCCC2)C1=O ZINC000294212473 382461666 /nfs/dbraw/zinc/46/16/66/382461666.db2.gz RYLXOZIQDMGMPU-CABCVRRESA-N 0 3 262.397 2.594 20 30 CFEDHN C=C(C)CN(CCCCO)Cc1cnn(C(C)C)c1 ZINC000352920830 382483206 /nfs/dbraw/zinc/48/32/06/382483206.db2.gz BFBQKSDXZXAPRO-UHFFFAOYSA-N 0 3 265.401 2.615 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CC3)CC2)cc1 ZINC000366375637 382500138 /nfs/dbraw/zinc/50/01/38/382500138.db2.gz KTUSNDSRTHCECO-MRXNPFEDSA-N 0 3 293.370 2.643 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358199168 382502059 /nfs/dbraw/zinc/50/20/59/382502059.db2.gz YICIEEKZJPMIBZ-AWEZNQCLSA-N 0 3 284.469 2.532 20 30 CFEDHN C=CC[C@H](C(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000189031185 382528495 /nfs/dbraw/zinc/52/84/95/382528495.db2.gz JNDLHYSYIBWYRG-IRXDYDNUSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000421361217 382512980 /nfs/dbraw/zinc/51/29/80/382512980.db2.gz KOKKJNNFIXAQDD-GDBMZVCRSA-N 0 3 275.392 2.702 20 30 CFEDHN C[C@@H](C(=O)N[C@H]1CCC(=O)N[C@H]1C)N1[C@H](C)CC[C@H]1C ZINC000328608753 382553365 /nfs/dbraw/zinc/55/33/65/382553365.db2.gz MBVLRNBGAQUSKM-BNDIWNMDSA-N 0 3 281.400 2.712 20 30 CFEDHN C=CCN(CC)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000367001022 382554696 /nfs/dbraw/zinc/55/46/96/382554696.db2.gz NGHLTHCBABBPFK-HOTGVXAUSA-N 0 3 287.407 2.649 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCCc2cc(Br)ccc21 ZINC000353563995 382560313 /nfs/dbraw/zinc/56/03/13/382560313.db2.gz GXTZLGCPMKCICN-GXTWGEPZSA-N 0 3 296.208 2.963 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353567667 382561101 /nfs/dbraw/zinc/56/11/01/382561101.db2.gz HGTHGQAMPQLEMR-IAQYHMDHSA-N 0 3 261.365 2.554 20 30 CFEDHN CCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000346970872 382592288 /nfs/dbraw/zinc/59/22/88/382592288.db2.gz ATTUJAUMSWMFMF-NPCAHTBFSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2C[C@@H](O)C2(C)C)c1 ZINC000189352359 382597823 /nfs/dbraw/zinc/59/78/23/382597823.db2.gz WOCRNWNLMMIPFZ-LSDHHAIUSA-N 0 3 261.365 2.500 20 30 CFEDHN C#C[C@H](NCc1c[nH]nc1-c1ccc(C)o1)C(C)C ZINC000387618638 382600710 /nfs/dbraw/zinc/60/07/10/382600710.db2.gz LEQSDSICALNNJC-ZDUSSCGKSA-N 0 3 257.337 2.726 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@H](O)Cc1ccccc1 ZINC000353748327 382624638 /nfs/dbraw/zinc/62/46/38/382624638.db2.gz HVNMYRKBUHPFCL-OAHLLOKOSA-N 0 3 286.400 2.655 20 30 CFEDHN COc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1F ZINC000189585121 382627202 /nfs/dbraw/zinc/62/72/02/382627202.db2.gz CZXTZJRITXBDDF-NSHDSACASA-N 0 3 287.338 2.895 20 30 CFEDHN OC[C@H](NCC#Cc1ccccc1)C1CCCCC1 ZINC000395175922 382629713 /nfs/dbraw/zinc/62/97/13/382629713.db2.gz YZRMRVJALRCQFI-KRWDZBQOSA-N 0 3 257.377 2.569 20 30 CFEDHN CS[C@@H]1CCCCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191448417 382700481 /nfs/dbraw/zinc/70/04/81/382700481.db2.gz FQZOCIPQLANHPE-CQSZACIVSA-N 0 3 263.410 2.614 20 30 CFEDHN Cn1ccnc1CC1CCN(CC#Cc2ccccc2)CC1 ZINC000192007003 382704149 /nfs/dbraw/zinc/70/41/49/382704149.db2.gz BWSPIGCKEVUIIQ-UHFFFAOYSA-N 0 3 293.414 2.726 20 30 CFEDHN CC#CCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192070240 382704700 /nfs/dbraw/zinc/70/47/00/382704700.db2.gz BOMPAQPKDCWYIE-KBPBESRZSA-N 0 3 267.731 2.922 20 30 CFEDHN C#CCCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000192095553 382704832 /nfs/dbraw/zinc/70/48/32/382704832.db2.gz UCMFHNAFJSUQAN-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN CCC(CC)(CNCC#Cc1ccccc1)C(=O)OC ZINC000192126796 382704993 /nfs/dbraw/zinc/70/49/93/382704993.db2.gz OORLRMMVVJLTCB-UHFFFAOYSA-N 0 3 273.376 2.607 20 30 CFEDHN C=CCC[C@H](O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192141418 382705026 /nfs/dbraw/zinc/70/50/26/382705026.db2.gz UYEJYMKSVYQJSF-VBNZEHGJSA-N 0 3 297.345 2.712 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192365709 382707794 /nfs/dbraw/zinc/70/77/94/382707794.db2.gz SFHDLMNROBXDIE-SWLSCSKDSA-N 0 3 261.365 2.686 20 30 CFEDHN C#CCCCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000192365116 382707833 /nfs/dbraw/zinc/70/78/33/382707833.db2.gz MSXBSKSPUGEJOC-GOSISDBHSA-N 0 3 298.430 2.913 20 30 CFEDHN C=CCCCCCN1CCOC2(CCOCC2)C1 ZINC000193407546 382719681 /nfs/dbraw/zinc/71/96/81/382719681.db2.gz HPHGQDRNICEUGW-UHFFFAOYSA-N 0 3 253.386 2.614 20 30 CFEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)cn1 ZINC000575192933 382731038 /nfs/dbraw/zinc/73/10/38/382731038.db2.gz RWNNSWUYIQMDKT-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN CC(C)(C)CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000337127303 382764286 /nfs/dbraw/zinc/76/42/86/382764286.db2.gz GQMHTRIEPWKRST-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@H](C)Cc2ccc(C)cc2)C1=O ZINC000337132192 382765669 /nfs/dbraw/zinc/76/56/69/382765669.db2.gz AIHAUDXYRLGSMC-WBVHZDCISA-N 0 3 286.419 2.645 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(CC=C)C1=O ZINC000337168438 382770657 /nfs/dbraw/zinc/77/06/57/382770657.db2.gz DDEUAAQRMNPLNH-MRXNPFEDSA-N 0 3 276.424 2.842 20 30 CFEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)nc1 ZINC000198354587 382771732 /nfs/dbraw/zinc/77/17/32/382771732.db2.gz RWHTYBABLGWRFL-AWEZNQCLSA-N 0 3 282.347 2.795 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](CC)c2ccc(C)cc2)C1=O ZINC000337183623 382772833 /nfs/dbraw/zinc/77/28/33/382772833.db2.gz NVQFYNIDVXPPEB-CVEARBPZSA-N 0 3 272.392 2.823 20 30 CFEDHN C=CCN1CC[C@H](N(C)C2CCC(CC)CC2)C1=O ZINC000337182718 382772882 /nfs/dbraw/zinc/77/28/82/382772882.db2.gz NANWMFSONHRCKA-NRXISQOPSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccccc3C)C[C@@H]2C)C1=O ZINC000337194385 382774486 /nfs/dbraw/zinc/77/44/86/382774486.db2.gz VHKWYUWOQMSSNZ-BQFCYCMXSA-N 0 3 298.430 2.960 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCOC1 ZINC000337211353 382778208 /nfs/dbraw/zinc/77/82/08/382778208.db2.gz AJOXIVCXPUWTAB-GXFFZTMASA-N 0 3 296.317 2.674 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCC[C@H](C)C2)C1=O ZINC000337232920 382781778 /nfs/dbraw/zinc/78/17/78/382781778.db2.gz VYPFCLPWJPKCJK-KKUMJFAQSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C)(C)[C@@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337262282 382788567 /nfs/dbraw/zinc/78/85/67/382788567.db2.gz WOVMCAYZALTJAO-HNNXBMFYSA-N 0 3 294.439 2.834 20 30 CFEDHN Cn1cc(CN[C@H]2CCCC[C@@H]2OC(F)F)cc1C#N ZINC000337276993 382792135 /nfs/dbraw/zinc/79/21/35/382792135.db2.gz FHWQPKXMZLBSBZ-STQMWFEESA-N 0 3 283.322 2.537 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)CC)C(C)C ZINC000337434273 382820611 /nfs/dbraw/zinc/82/06/11/382820611.db2.gz HNKQMCLYLCKDEF-HUUCEWRRSA-N 0 3 281.444 2.783 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)s2)cs1 ZINC000226264267 382826051 /nfs/dbraw/zinc/82/60/51/382826051.db2.gz IIUXTOGSNDYGDM-UHFFFAOYSA-N 0 3 263.391 2.717 20 30 CFEDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000227688428 382839504 /nfs/dbraw/zinc/83/95/04/382839504.db2.gz AMMGPNDNFNLWHA-SNVBAGLBSA-N 0 3 295.408 2.623 20 30 CFEDHN CC1(C)C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000228084847 382844575 /nfs/dbraw/zinc/84/45/75/382844575.db2.gz KEACZDCRGBGBCC-CYBMUJFWSA-N 0 3 262.328 2.745 20 30 CFEDHN N#Cc1cc2c(nc1NC[C@H]1CCCCN1C1CC1)CCC2 ZINC000577016582 382844727 /nfs/dbraw/zinc/84/47/27/382844727.db2.gz XXIHQUHDMDLXAR-MRXNPFEDSA-N 0 3 296.418 2.871 20 30 CFEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C)C1 ZINC000337697584 382856575 /nfs/dbraw/zinc/85/65/75/382856575.db2.gz UNHCVMZEWGGNQN-DGNOSDGRSA-N 0 3 291.439 2.648 20 30 CFEDHN C=CCN1CCC(NCc2nc(CCC)cs2)CC1 ZINC000494067616 382910237 /nfs/dbraw/zinc/91/02/37/382910237.db2.gz BETGHKBCLFGKMH-UHFFFAOYSA-N 0 3 279.453 2.836 20 30 CFEDHN C[C@H](N(C)CC(=O)NCc1cccc(C#N)c1)C(C)(C)C ZINC000533249820 382888547 /nfs/dbraw/zinc/88/85/47/382888547.db2.gz ZISZXJWGDALDQW-ZDUSSCGKSA-N 0 3 287.407 2.541 20 30 CFEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCC(C)(C)C#N ZINC000494297896 382911531 /nfs/dbraw/zinc/91/15/31/382911531.db2.gz GNJKLOOKXYNNBS-LBPRGKRZSA-N 0 3 283.416 2.771 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccncc2)C1 ZINC000578203638 382900309 /nfs/dbraw/zinc/90/03/09/382900309.db2.gz YDFQMLDCSDCXFR-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN COc1cc(C)c(CN2CCC(CC#N)CC2)c(C)n1 ZINC000540996700 382963767 /nfs/dbraw/zinc/96/37/67/382963767.db2.gz VMGSHBZMVFENSD-UHFFFAOYSA-N 0 3 273.380 2.833 20 30 CFEDHN CCOC(=O)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000442689022 382945604 /nfs/dbraw/zinc/94/56/04/382945604.db2.gz GALAVSVTXWWQHT-GFCCVEGCSA-N 0 3 260.337 2.504 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@]1(C)CCCCN1 ZINC000237045585 382947416 /nfs/dbraw/zinc/94/74/16/382947416.db2.gz BSDKBIRXVVJQMZ-HNNXBMFYSA-N 0 3 252.402 2.723 20 30 CFEDHN C[C@H](COc1cccc(F)c1)N[C@@H]1CC[C@@H](C#N)C1 ZINC000442718612 382949616 /nfs/dbraw/zinc/94/96/16/382949616.db2.gz PGMBOTFJKHHPQR-YRGRVCCFSA-N 0 3 262.328 2.875 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2(CC(C)C)CC2)CC1 ZINC000442735744 382950598 /nfs/dbraw/zinc/95/05/98/382950598.db2.gz ZJSHDAVVRVCERX-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCCN1CC ZINC000495045403 382955367 /nfs/dbraw/zinc/95/53/67/382955367.db2.gz LYVKLZOIEMHYMW-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN CCSc1cc(CN[C@H]2CC[C@H](C#N)C2)ccn1 ZINC000442838535 382960222 /nfs/dbraw/zinc/96/02/22/382960222.db2.gz TUCPVBJFUPNCTP-AAEUAGOBSA-N 0 3 261.394 2.975 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CCCC)c1 ZINC000236849333 382923993 /nfs/dbraw/zinc/92/39/93/382923993.db2.gz YGAHAIZFLPEBSJ-AWEZNQCLSA-N 0 3 262.353 2.707 20 30 CFEDHN CC(C#N)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC000444431533 382973546 /nfs/dbraw/zinc/97/35/46/382973546.db2.gz LJNKJDCJDOVCKA-SNVBAGLBSA-N 0 3 289.766 2.650 20 30 CFEDHN C[C@H](NC1(C2CC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000544415306 382974555 /nfs/dbraw/zinc/97/45/55/382974555.db2.gz KNZHEBXEYLBTIF-AWEZNQCLSA-N 0 3 297.402 2.854 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](C(C)C)C1 ZINC000444754596 382979550 /nfs/dbraw/zinc/97/95/50/382979550.db2.gz UKXWRUOPELPIIT-HNNXBMFYSA-N 0 3 264.413 2.555 20 30 CFEDHN C=CCN(CC=C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000238459423 382979963 /nfs/dbraw/zinc/97/99/63/382979963.db2.gz QHEIXXGKWZQARW-GFCCVEGCSA-N 0 3 254.374 2.574 20 30 CFEDHN CC(C)[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000444772182 382980456 /nfs/dbraw/zinc/98/04/56/382980456.db2.gz MKMFFSONYINPKP-OAHLLOKOSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@]1(CCC)C(=O)OCC ZINC000444780108 382980625 /nfs/dbraw/zinc/98/06/25/382980625.db2.gz MMGARBOIMFNXQX-GDBMZVCRSA-N 0 3 283.412 2.511 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N(C)C(C)C)CCCC1(C)C ZINC000444781638 382980728 /nfs/dbraw/zinc/98/07/28/382980728.db2.gz HLWOYVPGLQJZPL-AWEZNQCLSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N(C)C2CC2)CCCC1(C)C ZINC000444776860 382981347 /nfs/dbraw/zinc/98/13/47/382981347.db2.gz CYMJCDOCHRJWQT-CQSZACIVSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@H]1N(CC2CCS(=O)(=O)CC2)CCCC1(C)C ZINC000444794377 382982573 /nfs/dbraw/zinc/98/25/73/382982573.db2.gz VMRXDTDEMZNULY-OAHLLOKOSA-N 0 3 299.480 2.878 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC2(CCCC2)C1 ZINC000445866597 382986230 /nfs/dbraw/zinc/98/62/30/382986230.db2.gz NEFDFTOZUIVBJZ-OAHLLOKOSA-N 0 3 291.439 2.651 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000245629695 383017435 /nfs/dbraw/zinc/01/74/35/383017435.db2.gz PRXPUCLZIMUDKD-RDJZCZTQSA-N 0 3 286.419 2.947 20 30 CFEDHN C[C@H](NCCC(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000338336732 382994438 /nfs/dbraw/zinc/99/44/38/382994438.db2.gz BWEYBPAIJDESEP-ZDUSSCGKSA-N 0 3 285.391 2.658 20 30 CFEDHN N#CC[C@@H](O)CS[C@H]1CCCN(Cc2ccccc2)C1 ZINC000579238805 382996204 /nfs/dbraw/zinc/99/62/04/382996204.db2.gz XYZVOWRQJUHNMF-CVEARBPZSA-N 0 3 290.432 2.659 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000245458369 383001701 /nfs/dbraw/zinc/00/17/01/383001701.db2.gz UVEHYSWFJFKROM-BZUAXINKSA-N 0 3 293.455 2.895 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@H]1O ZINC000245557116 383007060 /nfs/dbraw/zinc/00/70/60/383007060.db2.gz UVAKUTLFJRCOIS-JKSUJKDBSA-N 0 3 258.365 2.541 20 30 CFEDHN CC(C)NC(=O)OC[C@H]1CCCCN1CCC(C)(C)C#N ZINC000495688798 383013298 /nfs/dbraw/zinc/01/32/98/383013298.db2.gz QCOVYEJISUWECO-CQSZACIVSA-N 0 3 295.427 2.915 20 30 CFEDHN C#CCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495689432 383013719 /nfs/dbraw/zinc/01/37/19/383013719.db2.gz TUCAEGCGKNFFQE-HNNXBMFYSA-N 0 3 278.396 2.533 20 30 CFEDHN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(CC#N)CC1 ZINC000541951196 382967633 /nfs/dbraw/zinc/96/76/33/382967633.db2.gz BEGHDZNFUDXFSV-ZNMIVQPWSA-N 0 3 291.439 2.790 20 30 CFEDHN Cn1c2ccccc2nc1CCN1CCC(CC#N)CC1 ZINC000542878896 382970719 /nfs/dbraw/zinc/97/07/19/382970719.db2.gz LFTXSYPCHYVJQU-UHFFFAOYSA-N 0 3 282.391 2.741 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCCO[C@@H](C)C2)cc1 ZINC000245747468 383031398 /nfs/dbraw/zinc/03/13/98/383031398.db2.gz NDDZCGBGYYELQB-KGLIPLIRSA-N 0 3 274.364 2.588 20 30 CFEDHN C=CCCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000447956112 383034140 /nfs/dbraw/zinc/03/41/40/383034140.db2.gz SRCZSXWGKONWLS-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@]2(C)CO)c1 ZINC000580383280 383078626 /nfs/dbraw/zinc/07/86/26/383078626.db2.gz GVHUSMLLDHRZCT-INIZCTEOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCN1CC ZINC000245935791 383050265 /nfs/dbraw/zinc/05/02/65/383050265.db2.gz TYYGHMKFALEBQY-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN CCOC(=O)[C@]1(C(C)C)CCN(CC#Cc2ccccc2)C1 ZINC000579795842 383052598 /nfs/dbraw/zinc/05/25/98/383052598.db2.gz UVMBRETVFMUVGK-LJQANCHMSA-N 0 3 299.414 2.949 20 30 CFEDHN CC(C)[C@@H](CNCC1(C#N)CC1)CNC(=O)OC(C)(C)C ZINC000496015492 383055180 /nfs/dbraw/zinc/05/51/80/383055180.db2.gz OVSIMZSYENSNCL-ZDUSSCGKSA-N 0 3 295.427 2.677 20 30 CFEDHN CC#CCN1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246552365 383080521 /nfs/dbraw/zinc/08/05/21/383080521.db2.gz KLKYWMLJDMSUAK-JKSUJKDBSA-N 0 3 261.340 2.737 20 30 CFEDHN CC(C)(C#N)CCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496205445 383075792 /nfs/dbraw/zinc/07/57/92/383075792.db2.gz KKSWIYNWRKYWPQ-AWEZNQCLSA-N 0 3 293.411 2.669 20 30 CFEDHN COc1cc(CNCc2[nH]nc3ccccc32)ccc1C#N ZINC000589324909 383119975 /nfs/dbraw/zinc/11/99/75/383119975.db2.gz DSPCJQAZIPWYTN-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1CC)C(C)C ZINC000448973653 383120153 /nfs/dbraw/zinc/12/01/53/383120153.db2.gz DHAKDPIBJNBBLG-BZUAXINKSA-N 0 3 278.440 2.847 20 30 CFEDHN Cc1noc(C)c1CO[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000553907930 383120648 /nfs/dbraw/zinc/12/06/48/383120648.db2.gz RWDLXARLZSZXFP-AWEZNQCLSA-N 0 3 291.395 2.822 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590137589 383121235 /nfs/dbraw/zinc/12/12/35/383121235.db2.gz CCEIQYWJNBWSOJ-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CCCCCN1CCCN(C(=O)OCC)CC1 ZINC000496770847 383124626 /nfs/dbraw/zinc/12/46/26/383124626.db2.gz JAIZIJOYLCCCCB-UHFFFAOYSA-N 0 3 254.374 2.507 20 30 CFEDHN N#CC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000597905089 383128559 /nfs/dbraw/zinc/12/85/59/383128559.db2.gz MVXTWHMALMVHRF-DLBZAZTESA-N 0 3 295.386 2.911 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000497026576 383128640 /nfs/dbraw/zinc/12/86/40/383128640.db2.gz PFIRQDQVDSFRDU-KGLIPLIRSA-N 0 3 295.427 2.867 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000497026577 383128814 /nfs/dbraw/zinc/12/88/14/383128814.db2.gz PFIRQDQVDSFRDU-UONOGXRCSA-N 0 3 295.427 2.867 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000497095880 383129944 /nfs/dbraw/zinc/12/99/44/383129944.db2.gz CNQXBUJJBSAKKE-INIZCTEOSA-N 0 3 288.391 2.811 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000501210333 383137517 /nfs/dbraw/zinc/13/75/17/383137517.db2.gz RROAUVNPOQGSMK-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619755859 383146961 /nfs/dbraw/zinc/14/69/61/383146961.db2.gz WOOPZEYPNGWGKR-CQSZACIVSA-N 0 3 264.756 2.726 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](COCC)C1 ZINC000247077348 383140194 /nfs/dbraw/zinc/14/01/94/383140194.db2.gz VLWMHFDUJQOLIH-JKSUJKDBSA-N 0 3 296.455 2.548 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@H]1C ZINC000246605491 383085746 /nfs/dbraw/zinc/08/57/46/383085746.db2.gz XUUZTYXOWCUSQZ-NVXWUHKLSA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000582190389 383086051 /nfs/dbraw/zinc/08/60/51/383086051.db2.gz SIYUDXCEMVXBOI-KRWDZBQOSA-N 0 3 293.455 2.860 20 30 CFEDHN N#CCCOCCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000338923403 383087795 /nfs/dbraw/zinc/08/77/95/383087795.db2.gz UYDYUUMPDHQACZ-MRXNPFEDSA-N 0 3 276.355 2.763 20 30 CFEDHN CCc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccn1 ZINC000584332158 383095210 /nfs/dbraw/zinc/09/52/10/383095210.db2.gz GMRJFUYXUBOXBT-MRXNPFEDSA-N 0 3 294.358 2.568 20 30 CFEDHN Cc1cc(N[C@H]2CCN(C)[C@H]2c2ccccc2)cc(C#N)n1 ZINC000553146247 383099248 /nfs/dbraw/zinc/09/92/48/383099248.db2.gz GTXRLDNOJOAUCJ-ROUUACIJSA-N 0 3 292.386 2.541 20 30 CFEDHN C[C@@H](C#N)CNC1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000496418055 383099648 /nfs/dbraw/zinc/09/96/48/383099648.db2.gz STTCZSYSBYEKDT-HSBZDZAISA-N 0 3 295.427 2.819 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000246759932 383101712 /nfs/dbraw/zinc/10/17/12/383101712.db2.gz KEYPSYXIGVAGHY-BFYDXBDKSA-N 0 3 299.418 2.625 20 30 CFEDHN CN(C)[C@@H]1CCOc2c(Nc3ccncc3C#N)cccc21 ZINC000553232055 383102549 /nfs/dbraw/zinc/10/25/49/383102549.db2.gz QDCOTDDJURMILZ-MRXNPFEDSA-N 0 3 294.358 2.504 20 30 CFEDHN COC(=O)CC1(NCc2cc(C#N)cs2)CCCC1 ZINC000338965928 383102782 /nfs/dbraw/zinc/10/27/82/383102782.db2.gz HTVDECLLJKRRMR-UHFFFAOYSA-N 0 3 278.377 2.585 20 30 CFEDHN CN(CCc1cccs1)Cc1ccc(C#N)cn1 ZINC000584477456 383107382 /nfs/dbraw/zinc/10/73/82/383107382.db2.gz GWWMITVYEHJDGP-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN C[C@@H]1CN(CC(C)(C)CCC#N)CC2(CCC2)O1 ZINC000564991116 383174410 /nfs/dbraw/zinc/17/44/10/383174410.db2.gz ZIZFOAWZEKOEED-CYBMUJFWSA-N 0 3 250.386 2.960 20 30 CFEDHN N#CCCOCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000339172295 383175297 /nfs/dbraw/zinc/17/52/97/383175297.db2.gz PNMXGHFYWQUCNN-LBPRGKRZSA-N 0 3 290.329 2.971 20 30 CFEDHN CCOC(=O)C(C)(C)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339188755 383181977 /nfs/dbraw/zinc/18/19/77/383181977.db2.gz LGWLQGKKOPWKJJ-DZGCQCFKSA-N 0 3 292.423 2.980 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1nc(C)c(C)[nH]1)C(C)C ZINC000566499053 383188250 /nfs/dbraw/zinc/18/82/50/383188250.db2.gz LPWVAWOIWXYBCC-MRXNPFEDSA-N 0 3 290.455 2.815 20 30 CFEDHN C=C(C)[C@@H](CC(=O)NCC(C)(C)N1CCCCC1)OCC ZINC000339433277 383195631 /nfs/dbraw/zinc/19/56/31/383195631.db2.gz MAAYOQZVVFKFDQ-OAHLLOKOSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634456755 383199894 /nfs/dbraw/zinc/19/98/94/383199894.db2.gz KLVQHFMVNDAORQ-MRXNPFEDSA-N 0 3 272.392 2.652 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC[C@@H](C#N)C1)CC2 ZINC000424337719 383204385 /nfs/dbraw/zinc/20/43/85/383204385.db2.gz ZWGXAHARUADHNC-WPGHFRTFSA-N 0 3 251.333 2.827 20 30 CFEDHN C[C@@H](NCc1cc(C#N)cs1)c1cc[nH]c(=O)c1 ZINC000339459293 383206023 /nfs/dbraw/zinc/20/60/23/383206023.db2.gz MRNNMMIACWWCBY-SECBINFHSA-N 0 3 259.334 2.571 20 30 CFEDHN CC1(C)CCC[C@@]1(O)CNCc1cc(C#N)cs1 ZINC000339464669 383207021 /nfs/dbraw/zinc/20/70/21/383207021.db2.gz HANRCRWIEFIOLI-CQSZACIVSA-N 0 3 264.394 2.651 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000424606032 383208083 /nfs/dbraw/zinc/20/80/83/383208083.db2.gz IVUSXRZJWRSTOS-UONOGXRCSA-N 0 3 266.429 2.825 20 30 CFEDHN CC1(C)CCC[C@@]1(O)CNCc1ccc(C#N)cc1F ZINC000339469629 383209446 /nfs/dbraw/zinc/20/94/46/383209446.db2.gz QODLXFZNSSNTAB-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc(C)c2ccccc2n1 ZINC000555669784 383149131 /nfs/dbraw/zinc/14/91/31/383149131.db2.gz RADOMZDRRWPWTF-UHFFFAOYSA-N 0 3 298.434 2.878 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NCCN1CCCC[C@@H]1CC ZINC000247205443 383152638 /nfs/dbraw/zinc/15/26/38/383152638.db2.gz UHTTXFYRBSICLV-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515073363 383157647 /nfs/dbraw/zinc/15/76/47/383157647.db2.gz PYLWSSLALOSQSV-GUTXKFCHSA-N 0 3 274.320 2.515 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)cc1C ZINC000515293335 383159640 /nfs/dbraw/zinc/15/96/40/383159640.db2.gz MIYIZOHKRBXZNI-CVEARBPZSA-N 0 3 288.391 2.565 20 30 CFEDHN C=CCCCCN(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000562532766 383160383 /nfs/dbraw/zinc/16/03/83/383160383.db2.gz NUCGIABYLKVBQD-CYBMUJFWSA-N 0 3 296.436 2.683 20 30 CFEDHN COc1cccc([C@@H]2C[C@H]2CNC[C@@H](C#N)CCC#N)c1 ZINC000516030163 383162241 /nfs/dbraw/zinc/16/22/41/383162241.db2.gz QVXGJIKFHRJFAK-KMFMINBZSA-N 0 3 283.375 2.832 20 30 CFEDHN COc1ccc(C[C@H](C)NCC2(C#N)CC2)cc1OC ZINC000562926958 383163308 /nfs/dbraw/zinc/16/33/08/383163308.db2.gz RSFBOCDWWYHRMU-LBPRGKRZSA-N 0 3 274.364 2.528 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CNC1CC(F)(F)C1 ZINC000563003152 383164021 /nfs/dbraw/zinc/16/40/21/383164021.db2.gz PZOFIQRLGRJLLG-CQSZACIVSA-N 0 3 297.345 2.542 20 30 CFEDHN CC(C)(CC#N)CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000563000353 383164138 /nfs/dbraw/zinc/16/41/38/383164138.db2.gz KLQGCPPJZXHILB-AWEZNQCLSA-N 0 3 280.799 2.773 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)s2)[C@@H]2CCO[C@H]21 ZINC000247341244 383165267 /nfs/dbraw/zinc/16/52/67/383165267.db2.gz NTNNXLJOJNLJSQ-YNEHKIRRSA-N 0 3 262.378 2.523 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)C2CCCCC2)C1=O ZINC000339153758 383169095 /nfs/dbraw/zinc/16/90/95/383169095.db2.gz KWTNVGGXSFIOHC-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCOc1cccc(CN(C)[C@H]2C[C@@H](OC)C2)c1 ZINC000564252625 383170165 /nfs/dbraw/zinc/17/01/65/383170165.db2.gz OLBICOCHTUDJMD-FZNQNYSPSA-N 0 3 261.365 2.861 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248476027 383249018 /nfs/dbraw/zinc/24/90/18/383249018.db2.gz YASPNTBEPQQTLN-GOEBONIOSA-N 0 3 279.355 2.606 20 30 CFEDHN Cn1cc(CN[C@@H]2CCC[C@@H]2F)c(-c2ccc(C#N)cc2)n1 ZINC000339584532 383253113 /nfs/dbraw/zinc/25/31/13/383253113.db2.gz NFPXSZJXDWQWJX-JKSUJKDBSA-N 0 3 298.365 2.939 20 30 CFEDHN Cc1cc(CNCc2ccc(C#N)c(C)c2)ccn1 ZINC000449400607 383265551 /nfs/dbraw/zinc/26/55/51/383265551.db2.gz CEKUXPYGXHXNHH-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCOC2(C)C)c1 ZINC000449415424 383276158 /nfs/dbraw/zinc/27/61/58/383276158.db2.gz OJSMVXBVJXTKTK-HNNXBMFYSA-N 0 3 261.365 2.909 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248638692 383276441 /nfs/dbraw/zinc/27/64/41/383276441.db2.gz WFWRUDLQMMLMBM-AEFFLSMTSA-N 0 3 284.403 2.742 20 30 CFEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@H]2CCCO[C@@H]21 ZINC000339500748 383218424 /nfs/dbraw/zinc/21/84/24/383218424.db2.gz ADNWTEHUYDEPAO-OAGGEKHMSA-N 0 3 270.376 2.851 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000424655383 383222295 /nfs/dbraw/zinc/22/22/95/383222295.db2.gz WGDAUYPCEYILRY-KBPBESRZSA-N 0 3 282.403 2.671 20 30 CFEDHN CO[C@H](CNCc1cccc(OCCCC#N)c1)C1CC1 ZINC000339527939 383233000 /nfs/dbraw/zinc/23/30/00/383233000.db2.gz YBSPDJHDJLDSCC-QGZVFWFLSA-N 0 3 288.391 2.884 20 30 CFEDHN Cc1cc(CNC[C@H](O)Cc2cccc(F)c2)ccc1C#N ZINC000449361153 383239277 /nfs/dbraw/zinc/23/92/77/383239277.db2.gz KONSIOONESQJTD-GOSISDBHSA-N 0 3 298.361 2.699 20 30 CFEDHN CC(C)[C@H]1C[C@H](CNCc2ccc(C#N)o2)CCO1 ZINC000449489533 383327333 /nfs/dbraw/zinc/32/73/33/383327333.db2.gz AIOPVCTUBNZLSJ-IUODEOHRSA-N 0 3 262.353 2.692 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000339820790 383330552 /nfs/dbraw/zinc/33/05/52/383330552.db2.gz LQMGMLXJAKCOBA-HOTGVXAUSA-N 0 3 296.455 2.546 20 30 CFEDHN COc1cc(OCc2ccc3c(c2)CNCC3)ccc1C#N ZINC000567986239 383340180 /nfs/dbraw/zinc/34/01/80/383340180.db2.gz NBOPYTUSTGWPDA-UHFFFAOYSA-N 0 3 294.354 2.792 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000459468979 383288615 /nfs/dbraw/zinc/28/86/15/383288615.db2.gz UDDRFTJULPXITN-BETUJISGSA-N 0 3 275.371 2.612 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000459468984 383288678 /nfs/dbraw/zinc/28/86/78/383288678.db2.gz UDDRFTJULPXITN-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339709114 383293716 /nfs/dbraw/zinc/29/37/16/383293716.db2.gz BGNMVAGSSXAQJJ-ILXRZTDVSA-N 0 3 291.439 2.505 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)s1 ZINC000449468772 383312234 /nfs/dbraw/zinc/31/22/34/383312234.db2.gz LLASTJUKYHRRHX-RBSFLKMASA-N 0 3 276.405 2.745 20 30 CFEDHN COc1ccc(Cl)cc1C(C)(C)NC(=O)C(C)C#N ZINC000425041024 383314171 /nfs/dbraw/zinc/31/41/71/383314171.db2.gz YGLPBZSMIGUVLQ-VIFPVBQESA-N 0 3 280.755 2.860 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc(-n2cncn2)cc1 ZINC000426563347 383405319 /nfs/dbraw/zinc/40/53/19/383405319.db2.gz WTYUSXIMANHBLO-HNNXBMFYSA-N 0 3 268.364 2.808 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC2CC2)cc1 ZINC000449516586 383351072 /nfs/dbraw/zinc/35/10/72/383351072.db2.gz BDUHABIASVDAEQ-SJORKVTESA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000467293266 383351974 /nfs/dbraw/zinc/35/19/74/383351974.db2.gz IXLANULGFVWQAK-ZZFFKQLHSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OCC)c1 ZINC000449548848 383355525 /nfs/dbraw/zinc/35/55/25/383355525.db2.gz RGXAUAKBADKUAB-CABCVRRESA-N 0 3 291.391 2.917 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)cc1F ZINC000449548994 383355552 /nfs/dbraw/zinc/35/55/52/383355552.db2.gz SUAUXEHBXWZXSR-KGLIPLIRSA-N 0 3 253.292 2.788 20 30 CFEDHN C=CCC1(NCc2nccnc2OC)CCCCC1 ZINC000449576419 383356327 /nfs/dbraw/zinc/35/63/27/383356327.db2.gz SWALELICWJOIFZ-UHFFFAOYSA-N 0 3 261.369 2.854 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccncc2)s1 ZINC000449696302 383361341 /nfs/dbraw/zinc/36/13/41/383361341.db2.gz HNNOTRKFHFEDBK-ZDUSSCGKSA-N 0 3 289.404 2.622 20 30 CFEDHN C=C(CC)CNCc1c(C)nn(-c2ccccn2)c1C ZINC000449735112 383363439 /nfs/dbraw/zinc/36/34/39/383363439.db2.gz PHXHFECLNUGLHL-UHFFFAOYSA-N 0 3 270.380 2.940 20 30 CFEDHN C=CCC1(C(=O)N2CCCN(CC)CC2)CCCC1 ZINC000449852242 383367600 /nfs/dbraw/zinc/36/76/00/383367600.db2.gz CZIOGUDXFJYRCG-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN CCC(CC)N(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000524557195 383374297 /nfs/dbraw/zinc/37/42/97/383374297.db2.gz SXQYHGZCFDEBPJ-UHFFFAOYSA-N 0 3 299.418 2.827 20 30 CFEDHN C=CCCCCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000471703871 383377355 /nfs/dbraw/zinc/37/73/55/383377355.db2.gz AZEWJIDMBJXPMJ-CQSZACIVSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCC1 ZINC000450106535 383381958 /nfs/dbraw/zinc/38/19/58/383381958.db2.gz OJNBJGCLXNZDBL-DZGCQCFKSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)CCCC1 ZINC000450264688 383388047 /nfs/dbraw/zinc/38/80/47/383388047.db2.gz GPCPAIFVROHBLV-UONOGXRCSA-N 0 3 296.480 2.627 20 30 CFEDHN N#Cc1cc(N[C@H](CN2CCCC2)c2ccccc2)ncn1 ZINC000526256090 383433391 /nfs/dbraw/zinc/43/33/91/383433391.db2.gz AUGPMKHHTWOEMJ-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN CC[C@@H](NCc1cccc(F)c1C#N)C1CCOCC1 ZINC000428347960 383455890 /nfs/dbraw/zinc/45/58/90/383455890.db2.gz OGACVCHRIVHMII-MRXNPFEDSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000569002714 383459823 /nfs/dbraw/zinc/45/98/23/383459823.db2.gz DQWKUFLFKKSLHV-WBVHZDCISA-N 0 3 273.376 2.862 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCc2ccccc21 ZINC000569255163 383482526 /nfs/dbraw/zinc/48/25/26/383482526.db2.gz IHOPEXASBSKTNK-HIFRSBDPSA-N 0 3 253.349 2.750 20 30 CFEDHN CC(C)[C@@H]1CN(c2c(C#N)cnc3ccccc32)CCN1C ZINC000487096925 383476661 /nfs/dbraw/zinc/47/66/61/383476661.db2.gz GNWHMKPWDGHEHX-KRWDZBQOSA-N 0 3 294.402 2.883 20 30 CFEDHN C[C@H](CO)N(Cc1cccc(F)c1C#N)C1CCCC1 ZINC000428483783 383484167 /nfs/dbraw/zinc/48/41/67/383484167.db2.gz OSQLLFFKCMXXJV-GFCCVEGCSA-N 0 3 276.355 2.823 20 30 CFEDHN CN1CC[C@@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC000450777475 383488143 /nfs/dbraw/zinc/48/81/43/383488143.db2.gz JPJVHHGMIZPZAY-RISCZKNCSA-N 0 3 295.308 2.717 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000569918066 383549789 /nfs/dbraw/zinc/54/97/89/383549789.db2.gz MMCLXSGUZDYFRN-QGZVFWFLSA-N 0 3 293.370 2.822 20 30 CFEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000340812900 383495676 /nfs/dbraw/zinc/49/56/76/383495676.db2.gz FFEVORPDFCGNEV-RHSMWYFYSA-N 0 3 299.418 2.685 20 30 CFEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000428595881 383495794 /nfs/dbraw/zinc/49/57/94/383495794.db2.gz FXLGFLBUWULUDO-ZWNOBZJWSA-N 0 3 280.755 2.646 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc2ccc(F)cc2s1 ZINC000428850499 383499427 /nfs/dbraw/zinc/49/94/27/383499427.db2.gz NCLSUYSBHPPGOQ-JTQLQIEISA-N 0 3 280.368 2.710 20 30 CFEDHN C=C(C)CN(CCO)Cc1cccc(Br)c1 ZINC000488143403 383499975 /nfs/dbraw/zinc/49/99/75/383499975.db2.gz DMPKJZCRULVJIB-UHFFFAOYSA-N 0 3 284.197 2.820 20 30 CFEDHN C=CCOCCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000429163475 383505721 /nfs/dbraw/zinc/50/57/21/383505721.db2.gz VDQCGHNUJLFMLE-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN CC[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569488608 383505895 /nfs/dbraw/zinc/50/58/95/383505895.db2.gz CUHYBRRFRMQCSL-ZDUSSCGKSA-N 0 3 259.309 2.841 20 30 CFEDHN Cc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)ccc1C#N ZINC000488259513 383510189 /nfs/dbraw/zinc/51/01/89/383510189.db2.gz DUWYDOFZPHYHJK-DLBZAZTESA-N 0 3 270.376 2.914 20 30 CFEDHN Oc1cccc2c1C[C@H](NCC#Cc1ccc(F)cc1)C2 ZINC000429333247 383519795 /nfs/dbraw/zinc/51/97/95/383519795.db2.gz UPWZOAAHYCNDHR-MRXNPFEDSA-N 0 3 281.330 2.640 20 30 CFEDHN C=CCOCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000528572553 383581484 /nfs/dbraw/zinc/58/14/84/383581484.db2.gz RRJBBIHEUGYSFC-UHFFFAOYSA-N 0 3 279.355 2.872 20 30 CFEDHN N#CCC1(CNCc2ccc(-n3cccn3)cc2)CC1 ZINC000430045265 383586323 /nfs/dbraw/zinc/58/63/23/383586323.db2.gz JWQDEOMPZUWATC-UHFFFAOYSA-N 0 3 266.348 2.656 20 30 CFEDHN Cc1cc(CN(C)CC[C@H]2CCCO2)ccc1C#N ZINC000488978242 383588320 /nfs/dbraw/zinc/58/83/20/383588320.db2.gz KHRAHIKEFXOQBP-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CN1CCC[C@@H](CNc2cc(C(F)(F)F)cnc2C#N)C1 ZINC000569938452 383553625 /nfs/dbraw/zinc/55/36/25/383553625.db2.gz FFYWYYYIRJGGKJ-JTQLQIEISA-N 0 3 298.312 2.726 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CC#Cc2ccc(F)cc2)CCO)C1 ZINC000429771682 383567974 /nfs/dbraw/zinc/56/79/74/383567974.db2.gz NCILNVOSIDWXCP-RHSMWYFYSA-N 0 3 275.367 2.660 20 30 CFEDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000488726259 383570481 /nfs/dbraw/zinc/57/04/81/383570481.db2.gz FDHUAPACSUFGPC-XNJGSVPQSA-N 0 3 287.382 2.864 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000429810955 383571463 /nfs/dbraw/zinc/57/14/63/383571463.db2.gz QFAFJHUUWHQZRL-KGLIPLIRSA-N 0 3 266.429 2.825 20 30 CFEDHN N#CC1(CCN2CC[C@H]3CC[C@@H](C2)[S@]3=O)CCCCC1 ZINC000528789621 383638118 /nfs/dbraw/zinc/63/81/18/383638118.db2.gz RMMCSLODEHSMOV-SIFCLUCFSA-N 0 3 294.464 2.836 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451591155 383653114 /nfs/dbraw/zinc/65/31/14/383653114.db2.gz AAVQRLAMDDXUBZ-RDJZCZTQSA-N 0 3 288.366 2.584 20 30 CFEDHN N#Cc1ccc(NC(=O)CN[C@@H]2CCC23CCCC3)cc1 ZINC000451463590 383620787 /nfs/dbraw/zinc/62/07/87/383620787.db2.gz XORFNAGZWVVYGO-OAHLLOKOSA-N 0 3 283.375 2.809 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@H]2CCCO[C@H]21 ZINC000451474737 383623859 /nfs/dbraw/zinc/62/38/59/383623859.db2.gz BEAFZJHEMQSGJK-DAXOMENPSA-N 0 3 288.366 2.991 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451497935 383628730 /nfs/dbraw/zinc/62/87/30/383628730.db2.gz WGASXQWYYBLFGJ-NVXWUHKLSA-N 0 3 288.391 2.860 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451501776 383630095 /nfs/dbraw/zinc/63/00/95/383630095.db2.gz ZAGNFRXLTGDITK-HOCLYGCPSA-N 0 3 276.355 2.991 20 30 CFEDHN CC(C)(C)NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433021546 383752513 /nfs/dbraw/zinc/75/25/13/383752513.db2.gz QZUJNNDGSQLRJC-OAHLLOKOSA-N 0 3 287.407 2.926 20 30 CFEDHN CC[C@@H](C)NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433022907 383752687 /nfs/dbraw/zinc/75/26/87/383752687.db2.gz YCYHRFLXJHEUPT-ZBFHGGJFSA-N 0 3 287.407 2.926 20 30 CFEDHN N#CCCC[C@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000433014633 383753012 /nfs/dbraw/zinc/75/30/12/383753012.db2.gz GDFGZCJPGUAFAD-HNNXBMFYSA-N 0 3 298.342 2.870 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](c2ccccc2)C1 ZINC000433067219 383753881 /nfs/dbraw/zinc/75/38/81/383753881.db2.gz MKPXVTNKRWLQTR-WBVHZDCISA-N 0 3 299.418 2.627 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)C1CCC(C(C)C)CC1 ZINC000433149576 383755286 /nfs/dbraw/zinc/75/52/86/383755286.db2.gz UGKQHLHUXFOTNV-UHFFFAOYSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@@H]1C[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222361 383756254 /nfs/dbraw/zinc/75/62/54/383756254.db2.gz YLORTSKMODUPMQ-SNPRPXQTSA-N 0 3 256.349 2.531 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)CC(C)(C)C#N ZINC000433296134 383758689 /nfs/dbraw/zinc/75/86/89/383758689.db2.gz RNLHUQSHQSZKCJ-UHFFFAOYSA-N 0 3 263.385 2.569 20 30 CFEDHN N#CC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCCCC1 ZINC000530025903 383763430 /nfs/dbraw/zinc/76/34/30/383763430.db2.gz SQDPXKVHSPGYFW-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CC1CCN(CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000435392502 383773728 /nfs/dbraw/zinc/77/37/28/383773728.db2.gz WTYIGFVPEAEOAT-UHFFFAOYSA-N 0 3 293.317 2.529 20 30 CFEDHN C[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(C#N)cc1F ZINC000436299737 383802546 /nfs/dbraw/zinc/80/25/46/383802546.db2.gz HBWQNAXHWZBOTK-PRWKNARSSA-N 0 3 294.395 2.649 20 30 CFEDHN CN(Cc1ccc(OCC#N)cc1)[C@@H](CO)c1ccccc1 ZINC000264947931 383806718 /nfs/dbraw/zinc/80/67/18/383806718.db2.gz AKRCYKNXQRHFRV-SFHVURJKSA-N 0 3 296.370 2.754 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000280972822 195053352 /nfs/dbraw/zinc/05/33/52/195053352.db2.gz HWOPMWRMFOQRQN-BBRMVZONSA-N 0 3 272.392 2.687 20 30 CFEDHN C=CCN[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017789 383821663 /nfs/dbraw/zinc/82/16/63/383821663.db2.gz HXNMDEVJRAFENV-GFCCVEGCSA-N 0 3 275.270 2.784 20 30 CFEDHN COc1cc(CNCCc2ccc(C)o2)ccc1C#N ZINC000572446008 383781925 /nfs/dbraw/zinc/78/19/25/383781925.db2.gz XGIUMXYDKLDSIU-UHFFFAOYSA-N 0 3 270.332 2.801 20 30 CFEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccsc1 ZINC000436287900 383800028 /nfs/dbraw/zinc/80/00/28/383800028.db2.gz DUYDDUYZCBMQER-UHFFFAOYSA-N 0 3 277.393 2.821 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(C)C#N)C1 ZINC000531294307 383844421 /nfs/dbraw/zinc/84/44/21/383844421.db2.gz YKSULMKODOLIIF-MELADBBJSA-N 0 3 256.349 2.859 20 30 CFEDHN N#Cc1csc(CNCCC2CC(F)(F)C2)n1 ZINC000453580791 383858402 /nfs/dbraw/zinc/85/84/02/383858402.db2.gz LSWDOQKPDKHKKL-UHFFFAOYSA-N 0 3 257.309 2.540 20 30 CFEDHN Cc1cc(C#N)nc(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000281048989 195082428 /nfs/dbraw/zinc/08/24/28/195082428.db2.gz WUBAOORVMNGNDT-OAHLLOKOSA-N 0 3 299.353 2.511 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437452256 383902738 /nfs/dbraw/zinc/90/27/38/383902738.db2.gz LQZFZUUUHPNHJJ-IRUJWGPZSA-N 0 3 262.740 2.862 20 30 CFEDHN N#CC1(CN2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)CC1 ZINC000573786669 383989145 /nfs/dbraw/zinc/98/91/45/383989145.db2.gz MVBLQZPDTAACCU-SNVBAGLBSA-N 0 3 298.312 2.912 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637368989 384046040 /nfs/dbraw/zinc/04/60/40/384046040.db2.gz DDMTWNGESUEKJC-MRXNPFEDSA-N 0 3 291.439 2.777 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000637322092 384028199 /nfs/dbraw/zinc/02/81/99/384028199.db2.gz OSCRAWGIJKNKSC-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000637322091 384028467 /nfs/dbraw/zinc/02/84/67/384028467.db2.gz OSCRAWGIJKNKSC-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN CC(C)(C#N)CCCN(CCCO)Cc1ccccn1 ZINC000439004975 384029737 /nfs/dbraw/zinc/02/97/37/384029737.db2.gz DUNGLYWAQYWJGP-UHFFFAOYSA-N 0 3 275.396 2.596 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637471564 384077225 /nfs/dbraw/zinc/07/72/25/384077225.db2.gz VXENNPNMPHQVED-GOEBONIOSA-N 0 3 291.439 2.753 20 30 CFEDHN C=CCC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000646913644 384097001 /nfs/dbraw/zinc/09/70/01/384097001.db2.gz KPKWFLLPXMSNGU-SQNIBIBYSA-N 0 3 298.430 2.899 20 30 CFEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(Cl)c1 ZINC000440638004 384117458 /nfs/dbraw/zinc/11/74/58/384117458.db2.gz IWHOCFMJZCNJPJ-JQWIXIFHSA-N 0 3 280.755 2.773 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000637620685 384137858 /nfs/dbraw/zinc/13/78/58/384137858.db2.gz GREZELIHCWIQHB-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)CCN1CCCC1 ZINC000637623740 384140743 /nfs/dbraw/zinc/14/07/43/384140743.db2.gz LVRJSIFGVBQEJQ-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=CCN1CCC(N=c2[nH]c3ccc(F)cc3s2)CC1 ZINC000641359111 384177060 /nfs/dbraw/zinc/17/70/60/384177060.db2.gz NPJGDHBGKCUFNX-UHFFFAOYSA-N 0 3 291.395 2.920 20 30 CFEDHN C[C@@H]1CN(CCCNc2cccc(F)c2C#N)CCCO1 ZINC000277585840 384346132 /nfs/dbraw/zinc/34/61/32/384346132.db2.gz CDGVLAFRYWIXEB-CYBMUJFWSA-N 0 3 291.370 2.610 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CO)CC1CCC1 ZINC000641757398 384323265 /nfs/dbraw/zinc/32/32/65/384323265.db2.gz XPJXLDWUUBKAIC-INIZCTEOSA-N 0 3 275.392 2.892 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(F)cc2cccnc21 ZINC000641760548 384327215 /nfs/dbraw/zinc/32/72/15/384327215.db2.gz TXTSAYRIUPRKEB-OAHLLOKOSA-N 0 3 274.339 2.791 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C(F)(F)F)cc1C ZINC000641767009 384333356 /nfs/dbraw/zinc/33/33/56/384333356.db2.gz FUTKKKBLPPEUFK-AWEZNQCLSA-N 0 3 285.309 2.878 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000641767907 384333854 /nfs/dbraw/zinc/33/38/54/384333854.db2.gz SEFAMJXSVNXORN-ZDUSSCGKSA-N 0 3 285.309 2.878 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccccc1OCCCC ZINC000641767361 384333897 /nfs/dbraw/zinc/33/38/97/384333897.db2.gz JLVFPSCCFDJHDD-INIZCTEOSA-N 0 3 275.392 2.729 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc(-c2ccccn2)c1 ZINC000641767333 384334219 /nfs/dbraw/zinc/33/42/19/384334219.db2.gz IZQICWIRCSEYQG-KRWDZBQOSA-N 0 3 280.371 2.613 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000641767389 384334236 /nfs/dbraw/zinc/33/42/36/384334236.db2.gz JYFZBEGQRYQNAE-CYBMUJFWSA-N 0 3 289.272 2.708 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(OC)c2ccccc12 ZINC000641768581 384334362 /nfs/dbraw/zinc/33/43/62/384334362.db2.gz CSIUFJGKYYGJQC-HNNXBMFYSA-N 0 3 283.371 2.712 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(Br)cc1C ZINC000641768047 384334437 /nfs/dbraw/zinc/33/44/37/384334437.db2.gz VGZWERMWRWMHQB-CQSZACIVSA-N 0 3 296.208 2.621 20 30 CFEDHN C=CC1CCN(Cc2cccn(C(F)F)c2=O)CC1 ZINC000638071502 384394264 /nfs/dbraw/zinc/39/42/64/384394264.db2.gz FSORGKALYVSNMO-UHFFFAOYSA-N 0 3 268.307 2.641 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000278030468 384463037 /nfs/dbraw/zinc/46/30/37/384463037.db2.gz UIHNMSVRMYUOQO-INIZCTEOSA-N 0 3 297.402 2.613 20 30 CFEDHN CC[C@H](NCCC(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000278199603 384497053 /nfs/dbraw/zinc/49/70/53/384497053.db2.gz GHNNKVMGQGMLBF-HNNXBMFYSA-N 0 3 273.380 2.514 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000278170851 384489374 /nfs/dbraw/zinc/48/93/74/384489374.db2.gz CKIKYTMUWYPHDV-CJNGLKHVSA-N 0 3 287.407 2.904 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000289384665 197322188 /nfs/dbraw/zinc/32/21/88/197322188.db2.gz MVSDYBHCQJZKSM-AWEZNQCLSA-N 0 3 296.370 2.781 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCOCC1CC1)CC2 ZINC000353279517 220305334 /nfs/dbraw/zinc/30/53/34/220305334.db2.gz VYZWMDSNVVCGET-INIZCTEOSA-N 0 3 256.349 2.562 20 30 CFEDHN C#C[C@@H](NCc1cncc(Br)c1)C(C)C ZINC000289321726 197297417 /nfs/dbraw/zinc/29/74/17/197297417.db2.gz FTEVPMUMVAJQKS-GFCCVEGCSA-N 0 3 267.170 2.592 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000279366617 384614389 /nfs/dbraw/zinc/61/43/89/384614389.db2.gz WTOCLKLKFAFUSX-QWHCGFSZSA-N 0 3 293.794 2.869 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n[nH]1 ZINC000268429232 384619239 /nfs/dbraw/zinc/61/92/39/384619239.db2.gz FDUWTZLTBXAKMJ-ZDUSSCGKSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000268429232 384619250 /nfs/dbraw/zinc/61/92/50/384619250.db2.gz FDUWTZLTBXAKMJ-ZDUSSCGKSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC000268429232 384619259 /nfs/dbraw/zinc/61/92/59/384619259.db2.gz FDUWTZLTBXAKMJ-ZDUSSCGKSA-N 0 3 299.353 2.504 20 30 CFEDHN C=CC(C)(C)CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000638455771 384674946 /nfs/dbraw/zinc/67/49/46/384674946.db2.gz ZMSWTQQTXBGFFJ-HNNXBMFYSA-N 0 3 272.392 2.940 20 30 CFEDHN CN(CCc1ccc(F)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268634604 384642102 /nfs/dbraw/zinc/64/21/02/384642102.db2.gz QWLZWDDNGVVQNZ-GOSISDBHSA-N 0 3 298.361 2.905 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OCCCC ZINC000680972513 542392936 /nfs/dbraw/zinc/39/29/36/542392936.db2.gz GPYBOTLNCHCIRO-OAHLLOKOSA-N 0 3 263.381 2.892 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCOC3(CCSCC3)C2)o1 ZINC000269303874 384745625 /nfs/dbraw/zinc/74/56/25/384745625.db2.gz DBPHVRCSJJGYQU-LBPRGKRZSA-N 0 3 292.404 2.686 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC000269419598 384757989 /nfs/dbraw/zinc/75/79/89/384757989.db2.gz KBVGDZLIWALDGE-UHFFFAOYSA-N 0 3 287.407 2.585 20 30 CFEDHN C[C@H]1CCCN(CCNCc2ccc(C#N)cc2F)C1 ZINC000269425768 384758102 /nfs/dbraw/zinc/75/81/02/384758102.db2.gz NLXFIMJDPJLXKN-ZDUSSCGKSA-N 0 3 275.371 2.519 20 30 CFEDHN CSC1(CNCc2ccc(C#N)cc2F)CCOCC1 ZINC000269430624 384758437 /nfs/dbraw/zinc/75/84/37/384758437.db2.gz PJYSTFBWSLOIQA-UHFFFAOYSA-N 0 3 294.395 2.699 20 30 CFEDHN CC(C)OCCCN(C)CC#Cc1ccc(F)cc1 ZINC000269639043 384816565 /nfs/dbraw/zinc/81/65/65/384816565.db2.gz XYCNFGWQIFPZNP-UHFFFAOYSA-N 0 3 263.356 2.924 20 30 CFEDHN C#CCCCN[C@H](C)c1ccc(Br)cn1 ZINC000280003493 384845752 /nfs/dbraw/zinc/84/57/52/384845752.db2.gz GEPVCPJSCXDVBJ-SNVBAGLBSA-N 0 3 267.170 2.908 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(C)CC1 ZINC000280267426 384952871 /nfs/dbraw/zinc/95/28/71/384952871.db2.gz ZLGBEKYJNPPDSA-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN CN(CCc1nccs1)Cc1ccc(OCC#N)cc1 ZINC000269885614 384894525 /nfs/dbraw/zinc/89/45/25/384894525.db2.gz QAADUNMLORTEGB-UHFFFAOYSA-N 0 3 287.388 2.720 20 30 CFEDHN C=CCCOCCNCc1ccnn1-c1ccccc1C ZINC000280182843 384918345 /nfs/dbraw/zinc/91/83/45/384918345.db2.gz GSJKWIGINUDMHS-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000280372094 384994515 /nfs/dbraw/zinc/99/45/15/384994515.db2.gz DPRZVAJTMXWIKP-NWDGAFQWSA-N 0 3 264.394 2.745 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(CC#N)cc1 ZINC000270325370 385056102 /nfs/dbraw/zinc/05/61/02/385056102.db2.gz ZJIOEQHEZBLHKI-HUUCEWRRSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000644814737 385076034 /nfs/dbraw/zinc/07/60/34/385076034.db2.gz LTNWMUUDSICWJD-OIISXLGYSA-N 0 3 284.403 2.509 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000280684392 385113091 /nfs/dbraw/zinc/11/30/91/385113091.db2.gz ZTJYMTCFRAEEQQ-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN C=C(C)[C@H](N[C@H]1CCCNC(=O)C1)c1ccc(F)c(F)c1 ZINC000639058956 385138529 /nfs/dbraw/zinc/13/85/29/385138529.db2.gz WDZAXIURHPTULA-LRDDRELGSA-N 0 3 294.345 2.840 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000280623167 385088138 /nfs/dbraw/zinc/08/81/38/385088138.db2.gz LFHIBMLKDQUMHL-SUMWQHHRSA-N 0 3 291.391 2.862 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OC)ccc1OC ZINC000280635807 385093208 /nfs/dbraw/zinc/09/32/08/385093208.db2.gz MSSKNSKGYVUKEZ-CXAGYDPISA-N 0 3 291.391 2.775 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000280756970 385141175 /nfs/dbraw/zinc/14/11/75/385141175.db2.gz YHYBAUYKFAATHG-MRXNPFEDSA-N 0 3 297.402 2.876 20 30 CFEDHN C#CCCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000270661613 385181078 /nfs/dbraw/zinc/18/10/78/385181078.db2.gz VXJLFPCSKKBTOR-UONOGXRCSA-N 0 3 284.186 2.907 20 30 CFEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)o1 ZINC000270691475 385192569 /nfs/dbraw/zinc/19/25/69/385192569.db2.gz VZEAGDJTMWDHMA-GXFFZTMASA-N 0 3 276.361 2.815 20 30 CFEDHN C[C@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)o1 ZINC000270691476 385192815 /nfs/dbraw/zinc/19/28/15/385192815.db2.gz VZEAGDJTMWDHMA-MFKMUULPSA-N 0 3 276.361 2.815 20 30 CFEDHN C=CCN(CCn1ccnc1C)Cc1ccc(OC)cc1 ZINC000270692678 385194084 /nfs/dbraw/zinc/19/40/84/385194084.db2.gz YEJMBENCJCBDQN-UHFFFAOYSA-N 0 3 285.391 2.888 20 30 CFEDHN C#CCCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270618843 385167253 /nfs/dbraw/zinc/16/72/53/385167253.db2.gz OPGJMFFRYVBAIY-INIZCTEOSA-N 0 3 269.344 2.839 20 30 CFEDHN C=C(C)CNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639088388 385169271 /nfs/dbraw/zinc/16/92/71/385169271.db2.gz FOSXSMXEFQAWFA-UHFFFAOYSA-N 0 3 273.302 2.904 20 30 CFEDHN C=CCCN(C)Cc1ccccc1OCCCCO ZINC000639091586 385176625 /nfs/dbraw/zinc/17/66/25/385176625.db2.gz PNMVGXGIECLTDO-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN C=CCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280930897 385180200 /nfs/dbraw/zinc/18/02/00/385180200.db2.gz VCZCYLHVRLHWJD-HIFRSBDPSA-N 0 3 281.421 2.635 20 30 CFEDHN COc1cc(CN(C)C[C@@H]2CCCC[C@@H]2O)ccc1C#N ZINC000282127344 385220841 /nfs/dbraw/zinc/22/08/41/385220841.db2.gz BFUAOLBAINHZNJ-HOTGVXAUSA-N 0 3 288.391 2.550 20 30 CFEDHN CCC(CC)CN(CCC#N)CCn1ccnc1C ZINC000270843228 385244937 /nfs/dbraw/zinc/24/49/37/385244937.db2.gz GHCRLJJRYZZQJG-UHFFFAOYSA-N 0 3 262.401 2.843 20 30 CFEDHN COc1cc(CN2CCC[C@](C)(OC)CC2)ccc1C#N ZINC000282242147 385258006 /nfs/dbraw/zinc/25/80/06/385258006.db2.gz JDGSMQVZPMQTIO-KRWDZBQOSA-N 0 3 288.391 2.958 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000334764056 533110954 /nfs/dbraw/zinc/11/09/54/533110954.db2.gz RFOONXZDCWCKLJ-ZANVPECISA-N 0 3 264.275 2.788 20 30 CFEDHN C#CCCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000282424238 385308014 /nfs/dbraw/zinc/30/80/14/385308014.db2.gz IRYJWOQZSFZVRN-KRWDZBQOSA-N 0 3 280.371 2.593 20 30 CFEDHN C#CCCCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000271061462 385324095 /nfs/dbraw/zinc/32/40/95/385324095.db2.gz SQFZXXFRKJEDNT-UHFFFAOYSA-N 0 3 284.403 2.556 20 30 CFEDHN COc1cc(CN2CCSC[C@@H](C)C2)ccc1C#N ZINC000282487693 385324112 /nfs/dbraw/zinc/32/41/12/385324112.db2.gz XIJCABFNSAABCU-LBPRGKRZSA-N 0 3 276.405 2.752 20 30 CFEDHN CC(C)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000270981244 385289796 /nfs/dbraw/zinc/28/97/96/385289796.db2.gz CXEBYKRBIDQPLB-UHFFFAOYSA-N 0 3 263.410 2.536 20 30 CFEDHN Cn1cc(CNC(C)(C)COCc2ccccc2)cc1C#N ZINC000282361965 385293022 /nfs/dbraw/zinc/29/30/22/385293022.db2.gz WFKOOUWDRDUKBL-UHFFFAOYSA-N 0 3 297.402 2.982 20 30 CFEDHN C#CCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270993043 385293960 /nfs/dbraw/zinc/29/39/60/385293960.db2.gz FCBHJHJVVBEPOJ-UHFFFAOYSA-N 0 3 258.321 2.973 20 30 CFEDHN C=C(CNCc1ccnn1CCCOC)c1ccccc1 ZINC000282732901 385379349 /nfs/dbraw/zinc/37/93/49/385379349.db2.gz SRLWNBOSCKVGSS-UHFFFAOYSA-N 0 3 285.391 2.723 20 30 CFEDHN C=CCN(C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000271360955 385380435 /nfs/dbraw/zinc/38/04/35/385380435.db2.gz HHEMDMFZXZOHPM-IRXDYDNUSA-N 0 3 299.418 2.792 20 30 CFEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000271416904 385381357 /nfs/dbraw/zinc/38/13/57/385381357.db2.gz AYDZBJHWBDXPQK-STQMWFEESA-N 0 3 284.363 2.734 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc2c(c1)OCCCO2 ZINC000271677893 385387598 /nfs/dbraw/zinc/38/75/98/385387598.db2.gz PAENOSHRWYCUPJ-GFCCVEGCSA-N 0 3 260.337 2.802 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000336052166 533118047 /nfs/dbraw/zinc/11/80/47/533118047.db2.gz HFEXUEHABXDFCW-NWDGAFQWSA-N 0 3 291.782 2.585 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1ncnn1CC ZINC000639264411 385393684 /nfs/dbraw/zinc/39/36/84/385393684.db2.gz CWXRYCRNTQBUGW-HNNXBMFYSA-N 0 3 270.380 2.575 20 30 CFEDHN C#CCOc1ccccc1CNCC1([C@@H](O)C(C)C)CC1 ZINC000271948459 385409337 /nfs/dbraw/zinc/40/93/37/385409337.db2.gz CVUZFIRYVYGBQW-KRWDZBQOSA-N 0 3 287.403 2.585 20 30 CFEDHN C#CCOc1ccccc1CNCC1([C@H](O)C(C)C)CC1 ZINC000271948470 385409405 /nfs/dbraw/zinc/40/94/05/385409405.db2.gz CVUZFIRYVYGBQW-QGZVFWFLSA-N 0 3 287.403 2.585 20 30 CFEDHN COc1ccc(CN2CCC[C@@]2(C)CCCO)cc1C#N ZINC000271956804 385411101 /nfs/dbraw/zinc/41/11/01/385411101.db2.gz CBIGXPVRAXXRNK-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN C[C@H](NCCN1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271972873 385415693 /nfs/dbraw/zinc/41/56/93/385415693.db2.gz XDAOIXIBBOIKOF-ZDUSSCGKSA-N 0 3 275.371 2.834 20 30 CFEDHN CCNC(=O)C(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000272162991 385463325 /nfs/dbraw/zinc/46/33/25/385463325.db2.gz BZRBUVFKOJULDT-NSHDSACASA-N 0 3 291.370 2.510 20 30 CFEDHN CC(C)CN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272382320 385524631 /nfs/dbraw/zinc/52/46/31/385524631.db2.gz WEKKLNREICJOBY-INIZCTEOSA-N 0 3 285.391 2.641 20 30 CFEDHN C[C@H](O)[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272485440 385550531 /nfs/dbraw/zinc/55/05/31/385550531.db2.gz BNTFCZZFLFILIR-JSGCOSHPSA-N 0 3 297.320 2.760 20 30 CFEDHN C=CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285643503 385557245 /nfs/dbraw/zinc/55/72/45/385557245.db2.gz ZKWCJKATQXVNKY-UHFFFAOYSA-N 0 3 260.312 2.727 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCCC[C@H]1O ZINC000272585336 385569937 /nfs/dbraw/zinc/56/99/37/385569937.db2.gz SJLMSMDXGGFXGQ-CZUORRHYSA-N 0 3 276.355 2.680 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1c(OC)cccc1OC ZINC000286218121 385573249 /nfs/dbraw/zinc/57/32/49/385573249.db2.gz YONFSZIWFDQKHU-CXAGYDPISA-N 0 3 291.391 2.775 20 30 CFEDHN C=CCC[C@@H](NC[C@]1(O)CCSC1)c1ccco1 ZINC000286339383 385593819 /nfs/dbraw/zinc/59/38/19/385593819.db2.gz YFUCFWOEOYIKQW-TZMCWYRMSA-N 0 3 267.394 2.745 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CCN(CCOC)C1)c1ccco1 ZINC000286303773 385585455 /nfs/dbraw/zinc/58/54/55/385585455.db2.gz WVRGSUFDXURRAS-LSDHHAIUSA-N 0 3 278.396 2.597 20 30 CFEDHN CCCN1CCC(N(C)c2nc(Cl)c(C#N)s2)CC1 ZINC000286324640 385591003 /nfs/dbraw/zinc/59/10/03/385591003.db2.gz QCYZJJVIHPUXSD-UHFFFAOYSA-N 0 3 298.843 2.979 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CCC)c1ccccc1 ZINC000272895356 385645110 /nfs/dbraw/zinc/64/51/10/385645110.db2.gz UDFXNCSGGUSFPR-OAHLLOKOSA-N 0 3 281.421 2.718 20 30 CFEDHN C=CCCN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639773413 385701332 /nfs/dbraw/zinc/70/13/32/385701332.db2.gz OWYROKGHNQWYFS-LBPRGKRZSA-N 0 3 297.196 2.873 20 30 CFEDHN C=C(C)CN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639771163 385701518 /nfs/dbraw/zinc/70/15/18/385701518.db2.gz BFUSUYDFUMZVLY-GFCCVEGCSA-N 0 3 297.196 2.873 20 30 CFEDHN CC#CCCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000274048209 385707986 /nfs/dbraw/zinc/70/79/86/385707986.db2.gz FRNLLSHRHQIAKJ-UHFFFAOYSA-N 0 3 261.369 2.786 20 30 CFEDHN CC#CCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000274071807 385713193 /nfs/dbraw/zinc/71/31/93/385713193.db2.gz KUEXJXVIJNCBQT-UHFFFAOYSA-N 0 3 268.360 2.815 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274263311 385751072 /nfs/dbraw/zinc/75/10/72/385751072.db2.gz DHLRHLOBMXCTMA-QGZVFWFLSA-N 0 3 284.403 2.571 20 30 CFEDHN C=CCCCCCCN[C@H](C(N)=O)c1ccccc1 ZINC000287072933 385775074 /nfs/dbraw/zinc/77/50/74/385775074.db2.gz BNQFPHYBHVOMPK-HNNXBMFYSA-N 0 3 260.381 2.939 20 30 CFEDHN C=C(C)CCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000274874418 385888967 /nfs/dbraw/zinc/88/89/67/385888967.db2.gz XWMLHTXFGMXSLH-UHFFFAOYSA-N 0 3 261.291 2.837 20 30 CFEDHN C=C(C)[C@H](NCC1(O)CCOCC1)c1ccc(F)c(F)c1 ZINC000274923503 385897983 /nfs/dbraw/zinc/89/79/83/385897983.db2.gz ZQWAWZCNXSSEFI-HNNXBMFYSA-N 0 3 297.345 2.713 20 30 CFEDHN C=CCCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275040633 385919435 /nfs/dbraw/zinc/91/94/35/385919435.db2.gz GVBNXIZSVLUBOR-UHFFFAOYSA-N 0 3 267.760 2.549 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCSC2)c(F)c1 ZINC000288551868 197110093 /nfs/dbraw/zinc/11/00/93/197110093.db2.gz XUWIBGJKCSOSCI-LBPRGKRZSA-N 0 3 264.369 2.930 20 30 CFEDHN C=C(C)CCN1CCCN(c2nccs2)CC1 ZINC000274760459 385865329 /nfs/dbraw/zinc/86/53/29/385865329.db2.gz JYQPTOIJHVJTBQ-UHFFFAOYSA-N 0 3 251.399 2.621 20 30 CFEDHN C[C@@H](NCc1ccc(Cl)cc1C#N)[C@H]1CCOC1 ZINC000274825833 385879282 /nfs/dbraw/zinc/87/92/82/385879282.db2.gz KUNPUZQBHWFKAF-PWSUYJOCSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)c(F)c1 ZINC000275309200 385975074 /nfs/dbraw/zinc/97/50/74/385975074.db2.gz JARGUZMJTIWTEP-QCZZGDTMSA-N 0 3 262.328 2.507 20 30 CFEDHN CCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000277002164 386104896 /nfs/dbraw/zinc/10/48/96/386104896.db2.gz ZLUKRPMMTXIGAZ-UHFFFAOYSA-N 0 3 269.348 2.585 20 30 CFEDHN C#CCCCC(=O)Nc1ccccc1CCN(C)C ZINC000277112351 386131765 /nfs/dbraw/zinc/13/17/65/386131765.db2.gz YBUGVVGFHUHIQH-UHFFFAOYSA-N 0 3 258.365 2.533 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288283631 197043839 /nfs/dbraw/zinc/04/38/39/197043839.db2.gz XCWMKBFSNXMSEM-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288283638 197043353 /nfs/dbraw/zinc/04/33/53/197043353.db2.gz XCWMKBFSNXMSEM-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN COCC#CCN[C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000681564478 542465434 /nfs/dbraw/zinc/46/54/34/542465434.db2.gz MRTKRTDMQKXCEE-QZTJIDSGSA-N 0 3 287.403 2.924 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000281286716 195180948 /nfs/dbraw/zinc/18/09/48/195180948.db2.gz SHLIGNAEKIMYQU-NWDGAFQWSA-N 0 3 278.421 2.750 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287290129 196824496 /nfs/dbraw/zinc/82/44/96/196824496.db2.gz BWMDXRYFTHQSSQ-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](CC)c1ccc(F)cc1F ZINC000186690462 260004725 /nfs/dbraw/zinc/00/47/25/260004725.db2.gz IHNDWUPPWMWDKF-FZMZJTMJSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCCc2nc(CC)sc21 ZINC000186685449 260004846 /nfs/dbraw/zinc/00/48/46/260004846.db2.gz ZGZCIMPVBHNZHR-MNOVXSKESA-N 0 3 266.410 2.610 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1sc(CC)nc1C ZINC000186719961 260008724 /nfs/dbraw/zinc/00/87/24/260008724.db2.gz AEXLGTPFBSTHFU-KOLCDFICSA-N 0 3 254.399 2.602 20 30 CFEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000117343788 260032455 /nfs/dbraw/zinc/03/24/55/260032455.db2.gz IGUVBKXIYQDNLL-UXLLHSPISA-N 0 3 293.455 2.941 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cnc2ccsc2c1 ZINC000186685279 262319686 /nfs/dbraw/zinc/31/96/86/262319686.db2.gz JVOJVHFDEYLAMM-CMPLNLGQSA-N 0 3 262.378 2.884 20 30 CFEDHN C=CCC[C@@H](C(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000187492465 260038810 /nfs/dbraw/zinc/03/88/10/260038810.db2.gz BHHWGNGKXVVJGK-QGZVFWFLSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCOCCN[C@H](C)c1cnn(C(C)C)c1C ZINC000682498512 542559653 /nfs/dbraw/zinc/55/96/53/542559653.db2.gz RJOUVQFROUKBBK-GFCCVEGCSA-N 0 3 251.374 2.626 20 30 CFEDHN O[C@@]12CCCC[C@@H]1CN(CC#Cc1ccccc1)CC2 ZINC000160763070 285347040 /nfs/dbraw/zinc/34/70/40/285347040.db2.gz YECFPGWGIHWIAU-QZTJIDSGSA-N 0 3 269.388 2.665 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C)CC1 ZINC001085205419 781985461 /nfs/dbraw/zinc/98/54/61/781985461.db2.gz QLGLIAKGPRZMSK-VXGBXAGGSA-N 0 3 270.804 2.556 20 30 CFEDHN C=CC[C@H](CC)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000281644882 195319818 /nfs/dbraw/zinc/31/98/18/195319818.db2.gz PHFLZKTYZYFADU-KGLIPLIRSA-N 0 3 281.421 2.793 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H](CC(C)C)C2)C1=O ZINC000337161973 262429695 /nfs/dbraw/zinc/42/96/95/262429695.db2.gz VDYMOFXSEKSZIR-CABCVRRESA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@@H](N[C@@H]1CCO[C@@H]1C)C(=O)NCC1CCCCC1 ZINC000330222993 533524445 /nfs/dbraw/zinc/52/44/45/533524445.db2.gz AAZLCZWPSIIALE-YRGRVCCFSA-N 0 3 268.401 2.679 20 30 CFEDHN Cc1cc(NCCN2CCc3ccccc3C2)cc(C#N)n1 ZINC000341744132 130016522 /nfs/dbraw/zinc/01/65/22/130016522.db2.gz MNSNEAPNQXRUSQ-UHFFFAOYSA-N 0 3 292.386 2.732 20 30 CFEDHN C=CCN(CCOC)C[C@H]1CCOc2ccccc21 ZINC000683001008 542625203 /nfs/dbraw/zinc/62/52/03/542625203.db2.gz LAZDGCYTLUNJDO-CQSZACIVSA-N 0 3 261.365 2.687 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1nccc(C#N)c1Cl ZINC000342119572 130275843 /nfs/dbraw/zinc/27/58/43/130275843.db2.gz AVBUUBQPODRYEZ-ZDUSSCGKSA-N 0 3 292.814 2.705 20 30 CFEDHN Cc1cc(CNC[C@@H](O)Cc2ccccc2)ccc1C#N ZINC000342174297 130307491 /nfs/dbraw/zinc/30/74/91/130307491.db2.gz AOWCOLABHRMYFW-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCCOC2)cc1OC ZINC000237238688 131016256 /nfs/dbraw/zinc/01/62/56/131016256.db2.gz XWCIFDUSTAQMEE-AWEZNQCLSA-N 0 3 277.364 2.529 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)C[C@@H](N)c1ccccc1 ZINC000237829193 131060209 /nfs/dbraw/zinc/06/02/09/131060209.db2.gz HKTJUFXRYHAJRS-GFCCVEGCSA-N 0 3 286.297 2.653 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000372433427 393449546 /nfs/dbraw/zinc/44/95/46/393449546.db2.gz IBEDHWDMEVXQLJ-AWEZNQCLSA-N 0 3 292.810 2.507 20 30 CFEDHN C#CCN(CC1=CCCOC1)[C@@H]1CCc2ccccc21 ZINC000179203422 393457138 /nfs/dbraw/zinc/45/71/38/393457138.db2.gz FGDQHGPVGRRHPS-GOSISDBHSA-N 0 3 267.372 2.956 20 30 CFEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000373806230 393473478 /nfs/dbraw/zinc/47/34/78/393473478.db2.gz RBPFQRFYCYKZMX-ZBFHGGJFSA-N 0 3 280.412 2.586 20 30 CFEDHN O[C@]1(C2CC2)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000373909877 393476272 /nfs/dbraw/zinc/47/62/72/393476272.db2.gz MAWNMGHCOUXQRS-MRXNPFEDSA-N 0 3 275.779 2.538 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3cccs3)C[C@@H]2C)C1=O ZINC000374156348 393486668 /nfs/dbraw/zinc/48/66/68/393486668.db2.gz CPQXEMZWMWTCCK-MJBXVCDLSA-N 0 3 290.432 2.713 20 30 CFEDHN CC(C)(C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000374204766 393488199 /nfs/dbraw/zinc/48/81/99/393488199.db2.gz LNDIXCFKWLYBFY-UHFFFAOYSA-N 0 3 291.439 2.699 20 30 CFEDHN C=CCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000308955201 393515610 /nfs/dbraw/zinc/51/56/10/393515610.db2.gz WXHRDTNYDGSLLM-LBPRGKRZSA-N 0 3 270.170 2.648 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000183497939 393521653 /nfs/dbraw/zinc/52/16/53/393521653.db2.gz VJMCEVXMFYYBBH-VXGBXAGGSA-N 0 3 297.370 2.821 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OCCC)c1 ZINC000184268195 393526512 /nfs/dbraw/zinc/52/65/12/393526512.db2.gz BUQUTFSQUKBOLE-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)NC2CCCC2)C1(C)C ZINC000329445349 393534585 /nfs/dbraw/zinc/53/45/85/393534585.db2.gz BISAGVBCFLORMV-DDTOSNHZSA-N 0 3 268.401 2.535 20 30 CFEDHN C=CCSCCNCc1cnc(N(CC)CC)s1 ZINC000222059044 413066444 /nfs/dbraw/zinc/06/64/44/413066444.db2.gz NMHVDZBGTNHCNZ-UHFFFAOYSA-N 0 3 285.482 2.998 20 30 CFEDHN CO[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[C@@H]1C ZINC000189259042 393570913 /nfs/dbraw/zinc/57/09/13/393570913.db2.gz GIQVTILMSNIAHM-XEZPLFJOSA-N 0 3 258.365 2.976 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1ccccc1Br ZINC000334217712 393582263 /nfs/dbraw/zinc/58/22/63/393582263.db2.gz DCCKRYRULVRDPE-SECBINFHSA-N 0 3 295.180 2.960 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000334229350 393583178 /nfs/dbraw/zinc/58/31/78/393583178.db2.gz IDRTXEYJMGURMB-YQPYWJPPSA-N 0 3 254.333 2.850 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000334735773 393618946 /nfs/dbraw/zinc/61/89/46/393618946.db2.gz PEEONFZECMXVQF-BXUZGUMPSA-N 0 3 282.347 2.776 20 30 CFEDHN CC[C@@H]1CN(CCOc2ccc(C#N)cc2)CCS1 ZINC000076072303 393683603 /nfs/dbraw/zinc/68/36/03/393683603.db2.gz OEIACJQBUOVRCT-OAHLLOKOSA-N 0 3 276.405 2.764 20 30 CFEDHN CO[C@@](C)(CNCc1cc(C#N)cs1)C1CC1 ZINC000336705643 393747589 /nfs/dbraw/zinc/74/75/89/393747589.db2.gz LDCSSPNNVNYMNO-ZDUSSCGKSA-N 0 3 250.367 2.524 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000335681201 393689422 /nfs/dbraw/zinc/68/94/22/393689422.db2.gz MWHXLUVHWNAZDV-DTWKUNHWSA-N 0 3 260.268 2.909 20 30 CFEDHN CC(C#N)C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000335751117 393697180 /nfs/dbraw/zinc/69/71/80/393697180.db2.gz AWTKKIMXOWFCLA-JTQLQIEISA-N 0 3 276.286 2.740 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000411999948 393759427 /nfs/dbraw/zinc/75/94/27/393759427.db2.gz UJHSARWDZIOTTP-SJORKVTESA-N 0 3 286.419 2.947 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000411984844 393759892 /nfs/dbraw/zinc/75/98/92/393759892.db2.gz NSKSLFMNFHBUIR-BPQIPLTHSA-N 0 3 283.419 2.885 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000411999943 393759923 /nfs/dbraw/zinc/75/99/23/393759923.db2.gz UJHSARWDZIOTTP-IAGOWNOFSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000412039431 393760563 /nfs/dbraw/zinc/76/05/63/393760563.db2.gz JPUXALASMOBYOI-KGLIPLIRSA-N 0 3 264.413 2.696 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412563459 393770098 /nfs/dbraw/zinc/77/00/98/393770098.db2.gz ZWBMPZBENXBUJI-LBPRGKRZSA-N 0 3 294.370 2.807 20 30 CFEDHN CCN(CC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000413240648 393780532 /nfs/dbraw/zinc/78/05/32/393780532.db2.gz UZAZCYITMPSJRU-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN N#CCCCOc1cccc(CN[C@H]2CCCOC2)c1 ZINC000237820356 393795795 /nfs/dbraw/zinc/79/57/95/393795795.db2.gz APTANONCYIYASB-HNNXBMFYSA-N 0 3 274.364 2.638 20 30 CFEDHN C=CCCCN1CCN(c2nc(C)c(C)s2)CC1 ZINC000338938918 393805415 /nfs/dbraw/zinc/80/54/15/393805415.db2.gz GOKDQHLQEPHTIH-UHFFFAOYSA-N 0 3 265.426 2.848 20 30 CFEDHN C=CCOCCN(CCOC)[C@H](C)c1ccccc1 ZINC000338937133 393805891 /nfs/dbraw/zinc/80/58/91/393805891.db2.gz CKJDMGFZSOASRD-OAHLLOKOSA-N 0 3 263.381 2.899 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccccc1-n1cccn1 ZINC000339068940 393814946 /nfs/dbraw/zinc/81/49/46/393814946.db2.gz SISKOBAJVBQKIE-AWEZNQCLSA-N 0 3 271.364 2.726 20 30 CFEDHN Cc1nccn1-c1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000339070650 393815595 /nfs/dbraw/zinc/81/55/95/393815595.db2.gz CPFAHZPUBICPON-CQSZACIVSA-N 0 3 298.390 2.762 20 30 CFEDHN CCC1(CC)CN(CCOCCC#N)CCS1 ZINC000339092764 393817683 /nfs/dbraw/zinc/81/76/83/393817683.db2.gz BCEHEPABDJUKQI-UHFFFAOYSA-N 0 3 256.415 2.524 20 30 CFEDHN C=C[C@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000342823363 393871032 /nfs/dbraw/zinc/87/10/32/393871032.db2.gz ITJRDSPXKIXIGS-HBNTYKKESA-N 0 3 292.345 2.586 20 30 CFEDHN CCCN(CC1(C#N)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000343318621 393883846 /nfs/dbraw/zinc/88/38/46/393883846.db2.gz YOUBAZYGGJNUPD-BFHYXJOUSA-N 0 3 262.397 2.816 20 30 CFEDHN C=CC[C@H](C(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000427066689 393890921 /nfs/dbraw/zinc/89/09/21/393890921.db2.gz HCWGGQYGSDYUJL-KRWDZBQOSA-N 0 3 286.419 2.901 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000345662044 393913149 /nfs/dbraw/zinc/91/31/49/393913149.db2.gz JPYVARACMUMVQJ-JTNHKYCSSA-N 0 3 260.312 2.895 20 30 CFEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416339121 393907296 /nfs/dbraw/zinc/90/72/96/393907296.db2.gz GEJVXWYGCHUSTE-IAGOWNOFSA-N 0 3 299.418 2.638 20 30 CFEDHN CO[C@@H]1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000471778222 393914142 /nfs/dbraw/zinc/91/41/42/393914142.db2.gz DHNRSSTZQOLAPG-CYZMBNFOSA-N 0 3 262.328 2.915 20 30 CFEDHN CC[C@H](C(=O)NCC(C)(C)CCC#N)N(CC)CC ZINC000345741840 393916103 /nfs/dbraw/zinc/91/61/03/393916103.db2.gz IQGJSKXKLLQBIE-CYBMUJFWSA-N 0 3 267.417 2.553 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn2cccc(F)c2n1 ZINC000684767646 542851132 /nfs/dbraw/zinc/85/11/32/542851132.db2.gz OEJMWLHVGWLVAO-SWLSCSKDSA-N 0 3 289.354 2.544 20 30 CFEDHN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C(C)C#N ZINC000346180724 393922983 /nfs/dbraw/zinc/92/29/83/393922983.db2.gz DPWZSZNJWIJIGS-VXGBXAGGSA-N 0 3 284.363 2.954 20 30 CFEDHN CC[C@H](NCc1cc(C#N)cs1)[C@H]1CCCO1 ZINC000119662828 393924328 /nfs/dbraw/zinc/92/43/28/393924328.db2.gz BYDOXNFDMNEOGY-QWHCGFSZSA-N 0 3 250.367 2.667 20 30 CFEDHN C=CCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346242066 393924453 /nfs/dbraw/zinc/92/44/53/393924453.db2.gz RGKSRROHHKHFLL-RRFJBIMHSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C)(C)[C@H]1CCN(CCC(C)(C)C#N)C[C@@H]1O ZINC000346956233 393934417 /nfs/dbraw/zinc/93/44/17/393934417.db2.gz ADWGOIUSPNKUNR-STQMWFEESA-N 0 3 252.402 2.655 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(CCC(C)(C)C#N)C[C@@H]1O ZINC000346956229 393934540 /nfs/dbraw/zinc/93/45/40/393934540.db2.gz ADWGOIUSPNKUNR-OLZOCXBDSA-N 0 3 252.402 2.655 20 30 CFEDHN COc1cc(C#N)ccc1CN(C[C@H](C)OC)C(C)C ZINC000347269867 393938484 /nfs/dbraw/zinc/93/84/84/393938484.db2.gz VMAZRGHXRWLEGL-ZDUSSCGKSA-N 0 3 276.380 2.812 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@@H](C)C1 ZINC000347578469 393942595 /nfs/dbraw/zinc/94/25/95/393942595.db2.gz HRJNKOCXFODFMH-KKUMJFAQSA-N 0 3 266.429 2.777 20 30 CFEDHN CCC(O)(CC)CCNCc1ccc(C#N)cc1F ZINC000471817697 393919301 /nfs/dbraw/zinc/91/93/01/393919301.db2.gz VOBPJIHHSREMKB-UHFFFAOYSA-N 0 3 264.344 2.728 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](OCC)C(C)C)CC1 ZINC000348788467 393958268 /nfs/dbraw/zinc/95/82/68/393958268.db2.gz YLPJSAFCYDIWAD-INIZCTEOSA-N 0 3 296.455 2.594 20 30 CFEDHN COC(=O)[C@H]1CCN(Cc2cc(C#N)cs2)[C@H]1C(C)C ZINC000430123366 393959739 /nfs/dbraw/zinc/95/97/39/393959739.db2.gz JRYOFKBUENYIAE-KBPBESRZSA-N 0 3 292.404 2.639 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C)CC1)C(C)C ZINC000121836261 393961574 /nfs/dbraw/zinc/96/15/74/393961574.db2.gz CDPYMIFZUPNQEK-AWEZNQCLSA-N 0 3 264.413 2.601 20 30 CFEDHN CC1(C)CN(CCOc2ccccc2C#N)CCS1 ZINC000122139813 393965089 /nfs/dbraw/zinc/96/50/89/393965089.db2.gz MIOKVHUAADGQLS-UHFFFAOYSA-N 0 3 276.405 2.764 20 30 CFEDHN C[C@@H](CC(=O)N(C)c1ccccc1)NCC1(CC#N)CC1 ZINC000430754336 394006795 /nfs/dbraw/zinc/00/67/95/394006795.db2.gz MBEMSDRBCDZYIZ-AWEZNQCLSA-N 0 3 285.391 2.711 20 30 CFEDHN CC#CCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000354186287 394043177 /nfs/dbraw/zinc/04/31/77/394043177.db2.gz HWLLTSVEBILIFS-UHFFFAOYSA-N 0 3 283.274 2.520 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000491392545 394049672 /nfs/dbraw/zinc/04/96/72/394049672.db2.gz CREPVVYRAPVRJF-CQSZACIVSA-N 0 3 298.386 2.608 20 30 CFEDHN C#C[C@@H](CC)NC[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491418019 394050036 /nfs/dbraw/zinc/05/00/36/394050036.db2.gz PDDBLMXWBDRCEJ-UONOGXRCSA-N 0 3 285.309 2.914 20 30 CFEDHN C#C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC000491438992 394051054 /nfs/dbraw/zinc/05/10/54/394051054.db2.gz HJYFBBVQRVGRBM-HNNXBMFYSA-N 0 3 272.392 2.526 20 30 CFEDHN Cc1cc(CN2CCC(CCCO)CC2)ccc1C#N ZINC000488269752 394036343 /nfs/dbraw/zinc/03/63/43/394036343.db2.gz ZUMHTPMQRCSPKF-UHFFFAOYSA-N 0 3 272.392 2.851 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2cccc(C)c2)C1=O ZINC000281990113 394105968 /nfs/dbraw/zinc/10/59/68/394105968.db2.gz MTXUHUOXBWGHNV-IRXDYDNUSA-N 0 3 284.403 2.919 20 30 CFEDHN C=CCNC(=O)[C@H](C)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000282388382 394123991 /nfs/dbraw/zinc/12/39/91/394123991.db2.gz GQYVTJOZJGXKQM-AWEZNQCLSA-N 0 3 290.407 2.685 20 30 CFEDHN C=CCNC(=O)[C@H](C)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000282388382 394123992 /nfs/dbraw/zinc/12/39/92/394123992.db2.gz GQYVTJOZJGXKQM-AWEZNQCLSA-N 0 3 290.407 2.685 20 30 CFEDHN CC(C#N)C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000359105349 394124494 /nfs/dbraw/zinc/12/44/94/394124494.db2.gz UDPVIKYETDHDBM-SNVBAGLBSA-N 0 3 275.739 2.571 20 30 CFEDHN C=CCCCCCN(C)Cc1ccc(C(=O)OC)[nH]1 ZINC000359223912 394128033 /nfs/dbraw/zinc/12/80/33/394128033.db2.gz KMPSYTIYPLLDTB-UHFFFAOYSA-N 0 3 264.369 2.980 20 30 CFEDHN Cc1ccc([C@H](CNc2ccnc(C#N)c2)N(C)C)cc1 ZINC000283954141 394133880 /nfs/dbraw/zinc/13/38/80/394133880.db2.gz YPEGXEJCZFRLLT-KRWDZBQOSA-N 0 3 280.375 2.977 20 30 CFEDHN CC(C)Oc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000442707427 394139439 /nfs/dbraw/zinc/13/94/39/394139439.db2.gz GQLBQPFSPMHLDM-TZMCWYRMSA-N 0 3 259.353 2.651 20 30 CFEDHN CC#CCCN(CC)Cc1ccc(OC)cc1OC ZINC000360437901 394152006 /nfs/dbraw/zinc/15/20/06/394152006.db2.gz OUIDQPHIFRHHNO-UHFFFAOYSA-N 0 3 261.365 2.939 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H](CCO)CC2)ccc1F ZINC000421008558 394154487 /nfs/dbraw/zinc/15/44/87/394154487.db2.gz DFCPGCZCQIBUIS-ZDUSSCGKSA-N 0 3 276.355 2.682 20 30 CFEDHN C=C(C)COCCN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360617290 394155635 /nfs/dbraw/zinc/15/56/35/394155635.db2.gz WEXQNZOUBXKHGH-AWEZNQCLSA-N 0 3 292.354 2.781 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000360627457 394155884 /nfs/dbraw/zinc/15/58/84/394155884.db2.gz KXWHINJQZYVELJ-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000448660949 394159554 /nfs/dbraw/zinc/15/95/54/394159554.db2.gz MJTCSNFPXLSQFF-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](O)C2(C)C)cc1OC ZINC000361064328 394163987 /nfs/dbraw/zinc/16/39/87/394163987.db2.gz CHPWMEPLRMDLLS-INIZCTEOSA-N 0 3 291.391 2.605 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1F ZINC000421374189 394207470 /nfs/dbraw/zinc/20/74/70/394207470.db2.gz BFULVZROUCWUOB-TZMCWYRMSA-N 0 3 256.280 2.936 20 30 CFEDHN COc1cc(C#N)ccc1CN([C@H](C)CO)C1CCCC1 ZINC000287962422 394210034 /nfs/dbraw/zinc/21/00/34/394210034.db2.gz YTZOOHFKFUGCRP-CYBMUJFWSA-N 0 3 288.391 2.692 20 30 CFEDHN C[C@H](NCC(C)(C)CCC#N)c1nnc2ccccn21 ZINC000135138327 394212174 /nfs/dbraw/zinc/21/21/74/394212174.db2.gz JQGSDDNMQMUUAL-LBPRGKRZSA-N 0 3 271.368 2.710 20 30 CFEDHN CC1(C)CCC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000135191694 394213143 /nfs/dbraw/zinc/21/31/43/394213143.db2.gz XHDUAHIDQQKJSW-INIZCTEOSA-N 0 3 299.418 2.891 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccccc2)s1 ZINC000135669335 394225443 /nfs/dbraw/zinc/22/54/43/394225443.db2.gz LIHHTOZDJCVVCL-UHFFFAOYSA-N 0 3 258.346 2.788 20 30 CFEDHN C=CCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366563497 394244975 /nfs/dbraw/zinc/24/49/75/394244975.db2.gz XXEWSMYUAQOWEV-QWHCGFSZSA-N 0 3 266.385 2.504 20 30 CFEDHN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1cn[nH]c1 ZINC000286075713 394188167 /nfs/dbraw/zinc/18/81/67/394188167.db2.gz LHDGENJINRYXPL-ZDUSSCGKSA-N 0 3 295.390 2.601 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCC2)cc1F ZINC000421324229 394188245 /nfs/dbraw/zinc/18/82/45/394188245.db2.gz BPMWSTRFOJAUAO-HNNXBMFYSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc(Cl)c(C#N)s1 ZINC000286215600 394194457 /nfs/dbraw/zinc/19/44/57/394194457.db2.gz CTMAKNUDRPOOIX-VHSXEESVSA-N 0 3 296.827 2.731 20 30 CFEDHN C#CCCN1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000363479867 394196398 /nfs/dbraw/zinc/19/63/98/394196398.db2.gz KQSSQYBEFVKSNU-CYBMUJFWSA-N 0 3 259.349 2.516 20 30 CFEDHN C#Cc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000368030763 394264917 /nfs/dbraw/zinc/26/49/17/394264917.db2.gz PHKUPUMXXZSVQN-UHFFFAOYSA-N 0 3 265.360 2.771 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2cccnc2C#N)C1 ZINC000368185107 394269886 /nfs/dbraw/zinc/26/98/86/394269886.db2.gz PYXQSIJNYOPIKX-MRXNPFEDSA-N 0 3 292.386 2.664 20 30 CFEDHN C[C@H](O)C[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000152742843 394278178 /nfs/dbraw/zinc/27/81/78/394278178.db2.gz FNVSCQMQOCZHIW-XJKSGUPXSA-N 0 3 277.795 2.927 20 30 CFEDHN CCc1ccc(C#CC(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000293038036 394279695 /nfs/dbraw/zinc/27/96/95/394279695.db2.gz MXVNDBFVGIAQJO-UHFFFAOYSA-N 0 3 298.430 2.543 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cn(C(C)C)nc1C ZINC000449546882 394280393 /nfs/dbraw/zinc/28/03/93/394280393.db2.gz FENJHFYSVUXCDY-CABCVRRESA-N 0 3 263.385 2.596 20 30 CFEDHN C[C@@]1(CO)CCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000493637330 394296588 /nfs/dbraw/zinc/29/65/88/394296588.db2.gz WZLBHTMPIPZYPH-HOTGVXAUSA-N 0 3 277.795 2.832 20 30 CFEDHN CC(C)(C)NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000155716063 394322111 /nfs/dbraw/zinc/32/21/11/394322111.db2.gz ZVZZUXXXWREZQO-SECBINFHSA-N 0 3 285.269 2.622 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCCCC#N)C1 ZINC000156592244 394335738 /nfs/dbraw/zinc/33/57/38/394335738.db2.gz XNEUGKRCGJUXMQ-ZDUSSCGKSA-N 0 3 266.385 2.734 20 30 CFEDHN CC#CCCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000155989066 394327460 /nfs/dbraw/zinc/32/74/60/394327460.db2.gz OBWCIWNPHMFDRE-UHFFFAOYSA-N 0 3 298.430 2.567 20 30 CFEDHN N#CCSCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000173864817 394376902 /nfs/dbraw/zinc/37/69/02/394376902.db2.gz XMGYZTLASXWWKA-UHFFFAOYSA-N 0 3 293.411 2.595 20 30 CFEDHN N#Cc1ccc(CNCCCN2CCCCCC2=O)s1 ZINC000176941794 394382329 /nfs/dbraw/zinc/38/23/29/394382329.db2.gz MDKRURBPJDPFSK-UHFFFAOYSA-N 0 3 291.420 2.502 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](C)O ZINC000453324206 394385475 /nfs/dbraw/zinc/38/54/75/394385475.db2.gz BRTDPINAANTZQJ-RBZYPMLTSA-N 0 3 250.317 2.507 20 30 CFEDHN N#Cc1ccncc1NCC1CCN(c2ccncc2)CC1 ZINC000271383575 135096199 /nfs/dbraw/zinc/09/61/99/135096199.db2.gz GGLDLBCATCECGM-UHFFFAOYSA-N 0 3 293.374 2.677 20 30 CFEDHN CC(C)CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000275690237 135111449 /nfs/dbraw/zinc/11/14/49/135111449.db2.gz IXCBLYNTTNCQPM-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN CC/C=C/CNC(=O)C(C#N)CCc1ccccc1 ZINC000456097183 394438437 /nfs/dbraw/zinc/43/84/37/394438437.db2.gz MPBBIMRLXFXBRO-NKPGBKMFSA-N 0 3 256.349 2.841 20 30 CFEDHN N#Cc1ccc(NC(=O)CNC2(C3CC3)CC2)cc1Cl ZINC000541594317 394677955 /nfs/dbraw/zinc/67/79/55/394677955.db2.gz ADQMEWIPXNUIOL-UHFFFAOYSA-N 0 3 289.766 2.682 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccncc2C#N)C1 ZINC000548481249 394934852 /nfs/dbraw/zinc/93/48/52/394934852.db2.gz IGHGEDCGQWCDDT-PBHICJAKSA-N 0 3 292.386 2.623 20 30 CFEDHN CCN(C(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000558655666 395068937 /nfs/dbraw/zinc/06/89/37/395068937.db2.gz DHNHJKHKPCAEQU-LSDHHAIUSA-N 0 3 299.418 2.810 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000181062988 543018861 /nfs/dbraw/zinc/01/88/61/543018861.db2.gz AZQFOQXZTILIQW-HNNXBMFYSA-N 0 3 278.371 2.805 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1 ZINC000648922060 395363266 /nfs/dbraw/zinc/36/32/66/395363266.db2.gz BLUJHQPRQDKOEY-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(N(C)c2ccccc2)CC1 ZINC000649339441 395475539 /nfs/dbraw/zinc/47/55/39/395475539.db2.gz BUMHHVGPDLCJGM-QGZVFWFLSA-N 0 3 274.408 2.524 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894537 395586206 /nfs/dbraw/zinc/58/62/06/395586206.db2.gz OGGLTZJUAMJKJJ-MLGOLLRUSA-N 0 3 263.356 2.724 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(n3cc(Cl)cn3)CC2)C1 ZINC000334168252 413105145 /nfs/dbraw/zinc/10/51/45/413105145.db2.gz AWHYBRBTAXLQMH-RISCZKNCSA-N 0 3 278.787 2.866 20 30 CFEDHN C#C[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(C)(C)C ZINC000491692131 397581790 /nfs/dbraw/zinc/58/17/90/397581790.db2.gz QJKWTPIMMPDWSI-HUUCEWRRSA-N 0 3 276.424 2.558 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCC(C)C)C1CC1 ZINC000047911912 397588667 /nfs/dbraw/zinc/58/86/67/397588667.db2.gz DBYVZHUJTOUIHB-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177544652 397609062 /nfs/dbraw/zinc/60/90/62/397609062.db2.gz CVAQCLXUFXTNQP-ZOBUZTSGSA-N 0 3 299.418 2.625 20 30 CFEDHN C=C(C)CNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000352866890 397658551 /nfs/dbraw/zinc/65/85/51/397658551.db2.gz NCWWACGFIREETG-UHFFFAOYSA-N 0 3 293.842 2.758 20 30 CFEDHN C=CCN(C)CC[C@H]1Sc2ccccc2NC1=O ZINC000660327242 413245436 /nfs/dbraw/zinc/24/54/36/413245436.db2.gz AYWTVFOGGVMZOR-CYBMUJFWSA-N 0 3 262.378 2.607 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(OCC)nc(C)n2)CC1 ZINC000663567969 413272244 /nfs/dbraw/zinc/27/22/44/413272244.db2.gz OHMMVVMPCYRPDF-UHFFFAOYSA-N 0 3 290.411 2.636 20 30 CFEDHN CCCN(CCN1CCCC1)c1cc(C)nc(C#N)c1 ZINC000343261353 154159741 /nfs/dbraw/zinc/15/97/41/154159741.db2.gz FHRHSJJAHUZHGM-UHFFFAOYSA-N 0 3 272.396 2.574 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCCC[C@@H]1C ZINC000343277916 154165904 /nfs/dbraw/zinc/16/59/04/154165904.db2.gz HYZRUDVJPKUNLS-STQMWFEESA-N 0 3 261.369 2.504 20 30 CFEDHN CC[C@H](CO)N(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000348184143 154352298 /nfs/dbraw/zinc/35/22/98/154352298.db2.gz GBJTWAWMIHJFNH-QGZVFWFLSA-N 0 3 297.402 2.670 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355461734 155015037 /nfs/dbraw/zinc/01/50/37/155015037.db2.gz XVJMXYKPCVJINJ-HZPDHXFCSA-N 0 3 298.434 2.902 20 30 CFEDHN CNc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000355649537 155053877 /nfs/dbraw/zinc/05/38/77/155053877.db2.gz HGJBNDIMVIQKQJ-ZETCQYMHSA-N 0 3 271.242 2.737 20 30 CFEDHN CC(C)(C)CC[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000355726671 155066765 /nfs/dbraw/zinc/06/67/65/155066765.db2.gz IMBKCJMXFJPPHQ-AWEZNQCLSA-N 0 3 278.371 2.974 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355780780 155084983 /nfs/dbraw/zinc/08/49/83/155084983.db2.gz IIKFSDBFLIYQQL-RBSFLKMASA-N 0 3 299.418 2.541 20 30 CFEDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(C#N)cc1F ZINC000358567091 155803964 /nfs/dbraw/zinc/80/39/64/155803964.db2.gz JCYUMPJKMQMNSE-ADWYPQAOSA-N 0 3 282.384 2.505 20 30 CFEDHN C[C@H]1[C@H](C)N(Cc2ccc(Cl)cc2C#N)CCN1C ZINC000360135283 156029657 /nfs/dbraw/zinc/02/96/57/156029657.db2.gz ZNAYIECVAMISRC-RYUDHWBXSA-N 0 3 277.799 2.736 20 30 CFEDHN CN1CC[C@@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(F)cc1 ZINC000362760027 156081097 /nfs/dbraw/zinc/08/10/97/156081097.db2.gz SFWNXBGCAXMLTO-IAGOWNOFSA-N 0 3 299.349 2.825 20 30 CFEDHN C[C@@H](NCCCO)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364965178 156225796 /nfs/dbraw/zinc/22/57/96/156225796.db2.gz SQKSOFWEWBMPOZ-LLVKDONJSA-N 0 3 287.388 2.715 20 30 CFEDHN N#Cc1ccc(C2=CCN(CC[C@H]3CCOC3=O)CC2)cc1 ZINC000374307839 157097710 /nfs/dbraw/zinc/09/77/10/157097710.db2.gz IORLKJKQZXYKND-KRWDZBQOSA-N 0 3 296.370 2.601 20 30 CFEDHN COc1cc(CN2CC[C@]3(C2)CCCOC3)ccc1C#N ZINC000375301468 157222439 /nfs/dbraw/zinc/22/24/39/157222439.db2.gz GPHQSHYBTDWCGT-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000651273417 413389656 /nfs/dbraw/zinc/38/96/56/413389656.db2.gz MLGNBQSMKBZJAA-HLLBOEOZSA-N 0 3 288.435 2.745 20 30 CFEDHN C=CCCn1cc(CN[C@@H](Cc2ccccc2)C2CC2)nn1 ZINC000653609055 413399070 /nfs/dbraw/zinc/39/90/70/413399070.db2.gz VDWGSGNMKJPXCB-SFHVURJKSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)nn1 ZINC000653620715 413407396 /nfs/dbraw/zinc/40/73/96/413407396.db2.gz VSTXWAPKKDABLE-KCQAQPDRSA-N 0 3 262.401 2.769 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC[C@@H](C)CC)CC1 ZINC000660596609 413424419 /nfs/dbraw/zinc/42/44/19/413424419.db2.gz GSXREZCWOGGWMK-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCC[C@@H](C)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602720 413425868 /nfs/dbraw/zinc/42/58/68/413425868.db2.gz WZEXZBUMOAVXEE-GDBMZVCRSA-N 0 3 291.439 2.958 20 30 CFEDHN C[C@H](NCCC(C)(C)O)c1ccc(C#N)cc1F ZINC000344338952 162016010 /nfs/dbraw/zinc/01/60/10/162016010.db2.gz RLPZOLCPBWYNOG-JTQLQIEISA-N 0 3 250.317 2.509 20 30 CFEDHN Cc1nccn1CCCCNCc1ccc(C#N)cc1F ZINC000344506228 162056323 /nfs/dbraw/zinc/05/63/23/162056323.db2.gz AVEUNUYAOFHBGZ-UHFFFAOYSA-N 0 3 286.354 2.772 20 30 CFEDHN Cc1cn2c(n1)[C@@H](CNCc1ccc(C#N)cc1F)CCC2 ZINC000344506148 162056635 /nfs/dbraw/zinc/05/66/35/162056635.db2.gz AKSJCFFEOZUHTQ-OAHLLOKOSA-N 0 3 298.365 2.870 20 30 CFEDHN C[C@H](N[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000346154371 162335935 /nfs/dbraw/zinc/33/59/35/162335935.db2.gz GDSMLZJTQJIZCC-SMDDNHRTSA-N 0 3 273.355 2.585 20 30 CFEDHN C[C@@H](NCCNc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000346182899 162346671 /nfs/dbraw/zinc/34/66/71/162346671.db2.gz JZCIIFIYVRTNMG-GFCCVEGCSA-N 0 3 284.338 2.855 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCC[C@H](C)C2)nn1 ZINC000657328507 413453260 /nfs/dbraw/zinc/45/32/60/413453260.db2.gz XURJFPLEPNQYPT-KBPBESRZSA-N 0 3 262.401 2.770 20 30 CFEDHN CCc1ccc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000352787905 163234482 /nfs/dbraw/zinc/23/44/82/163234482.db2.gz LFVFKMKUIVOTCK-UHFFFAOYSA-N 0 3 281.359 2.684 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCOc3ccccc32)n1 ZINC000352855641 163253558 /nfs/dbraw/zinc/25/35/58/163253558.db2.gz UIJHKKNOVDXFIO-LLVKDONJSA-N 0 3 285.372 2.671 20 30 CFEDHN COc1cc(CNCC2(C(F)(F)F)CC2)ccc1C#N ZINC000353036862 163291973 /nfs/dbraw/zinc/29/19/73/163291973.db2.gz UFGPXAKNWANXDC-UHFFFAOYSA-N 0 3 284.281 2.999 20 30 CFEDHN CC1CCC(N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000353198813 163315890 /nfs/dbraw/zinc/31/58/90/163315890.db2.gz IJEMHPRFXKUXDX-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)Cc1ccccc1)CC2 ZINC000353431502 163363613 /nfs/dbraw/zinc/36/36/13/163363613.db2.gz ZKXNTUNYVCBRAS-MJGOQNOKSA-N 0 3 292.382 2.739 20 30 CFEDHN C[C@@H](N[C@@H](CO)C1CCCC1)c1ccc(C#N)cc1F ZINC000353499706 163377817 /nfs/dbraw/zinc/37/78/17/163377817.db2.gz WXXODLDCNCQKBU-BZNIZROVSA-N 0 3 276.355 2.899 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284338966 196034055 /nfs/dbraw/zinc/03/40/55/196034055.db2.gz CAPBTCUGFPWWDN-SJORKVTESA-N 0 3 255.361 2.682 20 30 CFEDHN C=CCCOCCN[C@@H]1CCCc2c(O)cccc21 ZINC000284882560 196149673 /nfs/dbraw/zinc/14/96/73/196149673.db2.gz BLBRTTPDSOTOBW-OAHLLOKOSA-N 0 3 261.365 2.952 20 30 CFEDHN CCn1cc(CCN(Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000284924291 196158861 /nfs/dbraw/zinc/15/88/61/196158861.db2.gz HWAVOXXCMKQTBF-UHFFFAOYSA-N 0 3 294.402 2.982 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285027362 196181432 /nfs/dbraw/zinc/18/14/32/196181432.db2.gz KFZMHVDAGRWXIU-AEFFLSMTSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CCCn1cc(CNCC(C)(C)c2cccs2)nn1 ZINC000657361117 413500628 /nfs/dbraw/zinc/50/06/28/413500628.db2.gz FXEGHJDFXGMWQN-UHFFFAOYSA-N 0 3 290.436 2.983 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)CCc2ccc(C)o2)nn1 ZINC000657376100 413523350 /nfs/dbraw/zinc/52/33/50/413523350.db2.gz CEYBXDHRURZIET-ZDUSSCGKSA-N 0 3 288.395 2.867 20 30 CFEDHN CC[C@H](NCC#Cc1ccccc1)[C@@H]1CCCCO1 ZINC000653874054 413550421 /nfs/dbraw/zinc/55/04/21/413550421.db2.gz AGSSUKQXFRJVHG-IRXDYDNUSA-N 0 3 257.377 2.975 20 30 CFEDHN C=CCCn1cc(CN[C@@H](CC)[C@@H]2CC2(C)C)nn1 ZINC000653766741 413489091 /nfs/dbraw/zinc/48/90/91/413489091.db2.gz SVKDANBUCVPOIS-KBPBESRZSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)nn1 ZINC000657400412 413558818 /nfs/dbraw/zinc/55/88/18/413558818.db2.gz MFHIELFFXUDAEU-KSZLIROESA-N 0 3 294.402 2.530 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)nn1 ZINC000657400416 413556286 /nfs/dbraw/zinc/55/62/86/413556286.db2.gz MFHIELFFXUDAEU-KZNAEPCWSA-N 0 3 294.402 2.530 20 30 CFEDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000285335293 196253865 /nfs/dbraw/zinc/25/38/65/196253865.db2.gz XRGQJLDSJYHLII-GFCCVEGCSA-N 0 3 291.420 2.500 20 30 CFEDHN C=CC[C@@H](C)NCc1cc(F)c(OC)cc1OC ZINC000651713233 413587603 /nfs/dbraw/zinc/58/76/03/413587603.db2.gz IPOZOGUDRYSLIT-SNVBAGLBSA-N 0 3 253.317 2.897 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cccc(F)c1OC(F)F ZINC000657427110 413591825 /nfs/dbraw/zinc/59/18/25/413591825.db2.gz OQDJJGWJOSBGNO-SNVBAGLBSA-N 0 3 289.297 2.701 20 30 CFEDHN C=CCCCNCc1cc(F)c(OC)cc1OC ZINC000651789161 413638834 /nfs/dbraw/zinc/63/88/34/413638834.db2.gz CASZPXAYNXUIHG-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2ccccc2S(C)(=O)=O)C1 ZINC000651830684 413674802 /nfs/dbraw/zinc/67/48/02/413674802.db2.gz GWAHMMCMUWQHPT-DZGCQCFKSA-N 0 3 293.432 2.925 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000660928311 413667571 /nfs/dbraw/zinc/66/75/71/413667571.db2.gz MLXAUNNVACIEEG-KKUMJFAQSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cncc(Br)c1C ZINC000657482209 413668108 /nfs/dbraw/zinc/66/81/08/413668108.db2.gz SWWQDSZLQPVYSX-OLZOCXBDSA-N 0 3 297.196 2.586 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCC[C@H](C)CC2)nn1 ZINC000657441587 413612001 /nfs/dbraw/zinc/61/20/01/413612001.db2.gz BHWQNVMKWCZIAC-KBPBESRZSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000660867835 413623062 /nfs/dbraw/zinc/62/30/62/413623062.db2.gz GJTMGYZEVQTOMI-KFWWJZLASA-N 0 3 291.439 2.609 20 30 CFEDHN C=CCn1cc(CNC2CCC(C3CCC3)CC2)nn1 ZINC000657496487 413686154 /nfs/dbraw/zinc/68/61/54/413686154.db2.gz TZPVFOXKDYQZIK-UHFFFAOYSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000661009587 413705779 /nfs/dbraw/zinc/70/57/79/413705779.db2.gz KMBUVGVUZWVAQE-HUUCEWRRSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CCC1(NCc2ccc(COC)o2)CCOCC1 ZINC000657633291 413808647 /nfs/dbraw/zinc/80/86/47/413808647.db2.gz LKIPAGJFQRBGKY-UHFFFAOYSA-N 0 3 265.353 2.641 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654314347 413810142 /nfs/dbraw/zinc/81/01/42/413810142.db2.gz IMAVTCAHLOXOQN-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(CC2CC2)nn1 ZINC000661116306 413765784 /nfs/dbraw/zinc/76/57/84/413765784.db2.gz XTCYJDSVECWUBP-ZBFHGGJFSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1cc(C)no1 ZINC000661117601 413768975 /nfs/dbraw/zinc/76/89/75/413768975.db2.gz SJNFREDIUSQCRL-CHWSQXEVSA-N 0 3 277.368 2.646 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1nccs1 ZINC000661118282 413769073 /nfs/dbraw/zinc/76/90/73/413769073.db2.gz XNGBFDFQWJHYPL-VXGBXAGGSA-N 0 3 279.409 2.806 20 30 CFEDHN C=CCC1(NCc2ccc(S(C)(=O)=O)o2)CCCC1 ZINC000657703153 413870662 /nfs/dbraw/zinc/87/06/62/413870662.db2.gz UYQMZQFBHSYTJF-UHFFFAOYSA-N 0 3 283.393 2.662 20 30 CFEDHN C=CCOCCCNCc1csc(-c2ccccn2)n1 ZINC000657657790 413823931 /nfs/dbraw/zinc/82/39/31/413823931.db2.gz CSSZLEWDWFYDOH-UHFFFAOYSA-N 0 3 289.404 2.887 20 30 CFEDHN C=CCOCCCNCc1cnn(-c2ccccc2)c1 ZINC000657658035 413825740 /nfs/dbraw/zinc/82/57/40/413825740.db2.gz JUCTZKZXTSKWCS-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=CCOCCCNCc1cn2cc(Cl)ccc2n1 ZINC000657658169 413826685 /nfs/dbraw/zinc/82/66/85/413826685.db2.gz OBPSNPZZIXIXFT-UHFFFAOYSA-N 0 3 279.771 2.670 20 30 CFEDHN C=CCN(CCOCc1ccccc1)[C@@H](C)COC ZINC000661238467 413837687 /nfs/dbraw/zinc/83/76/87/413837687.db2.gz CNOMNFRCJNKJIQ-HNNXBMFYSA-N 0 3 263.381 2.726 20 30 CFEDHN C=CCN(Cc1ccccc1N(C)C)[C@H](C)COC ZINC000661242132 413844745 /nfs/dbraw/zinc/84/47/45/413844745.db2.gz HGXPSBBEIXRJLR-CQSZACIVSA-N 0 3 262.397 2.776 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N(C)Cc2ccco2)C1 ZINC000661378416 413938694 /nfs/dbraw/zinc/93/86/94/413938694.db2.gz FZORCRBSNDRDDD-AWEZNQCLSA-N 0 3 276.380 2.526 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC(CC)CC)C1 ZINC000661379168 413938872 /nfs/dbraw/zinc/93/88/72/413938872.db2.gz VIGMTSREFPRYCZ-KGLIPLIRSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000661379358 413939285 /nfs/dbraw/zinc/93/92/85/413939285.db2.gz XHARMGVOSFEUSV-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(OC)ns2)C1 ZINC000661387231 413942999 /nfs/dbraw/zinc/94/29/99/413942999.db2.gz XJEPCWHFYYQNSJ-NSHDSACASA-N 0 3 252.383 2.940 20 30 CFEDHN C=CCCCCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000654665797 413949441 /nfs/dbraw/zinc/94/94/41/413949441.db2.gz ORBJCLJXSKYRCO-OAHLLOKOSA-N 0 3 281.444 2.716 20 30 CFEDHN C=CCCCCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000654665796 413951032 /nfs/dbraw/zinc/95/10/32/413951032.db2.gz ORBJCLJXSKYRCO-HNNXBMFYSA-N 0 3 281.444 2.716 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000661441544 413987656 /nfs/dbraw/zinc/98/76/56/413987656.db2.gz HYTOTPOPSZWUSJ-DOTOQJQBSA-N 0 3 257.377 2.521 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657939500 414067400 /nfs/dbraw/zinc/06/74/00/414067400.db2.gz ZGBZEXQZAAYTEX-MNOVXSKESA-N 0 3 270.323 2.854 20 30 CFEDHN O[C@]1(C2CC2)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000661624157 414088861 /nfs/dbraw/zinc/08/88/61/414088861.db2.gz DMKVQJORLDJBSP-QGZVFWFLSA-N 0 3 289.806 2.928 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2cnccc2o1 ZINC000658028724 414112700 /nfs/dbraw/zinc/11/27/00/414112700.db2.gz DVEGZEHKNJIHPX-RTXFEEFZSA-N 0 3 258.321 2.822 20 30 CFEDHN C=CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)C(C)(C)C ZINC000661754931 414193083 /nfs/dbraw/zinc/19/30/83/414193083.db2.gz HPKKJQRSUIAEGQ-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCCCCCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000665255545 414213603 /nfs/dbraw/zinc/21/36/03/414213603.db2.gz VXNVKTZDLJLBLJ-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCC1(NCc2nnc3n2CCCC3)CCCC1 ZINC000661851577 414257498 /nfs/dbraw/zinc/25/74/98/414257498.db2.gz XPBLCHULCCFPFI-UHFFFAOYSA-N 0 3 260.385 2.593 20 30 CFEDHN C=CCC1(NCc2nnnn2Cc2ccccc2)CCCC1 ZINC000661851415 414258347 /nfs/dbraw/zinc/25/83/47/414258347.db2.gz QYBWCXXANSQYMV-UHFFFAOYSA-N 0 3 297.406 2.700 20 30 CFEDHN C=CCC1(NCc2ncnn2CC(C)C)CCCC1 ZINC000661852331 414258817 /nfs/dbraw/zinc/25/88/17/414258817.db2.gz REMHFNWVYPARBT-UHFFFAOYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCC1(NCc2nnnn2-c2ccccc2)CCCC1 ZINC000661851785 414259803 /nfs/dbraw/zinc/25/98/03/414259803.db2.gz VPZUAYIEPZGMOA-UHFFFAOYSA-N 0 3 283.379 2.641 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000665390341 414321398 /nfs/dbraw/zinc/32/13/98/414321398.db2.gz BHVHRGIRDXEWQI-JKSUJKDBSA-N 0 3 291.439 2.682 20 30 CFEDHN C=C[C@H](CO)NCCCOc1cccc(C(F)(F)F)c1 ZINC000662165751 414440543 /nfs/dbraw/zinc/44/05/43/414440543.db2.gz NUBHFUIRWAOINA-GFCCVEGCSA-N 0 3 289.297 2.611 20 30 CFEDHN N#CC(C(=O)c1ccc(C2CC2)cc1)c1ccncn1 ZINC000659114505 414441175 /nfs/dbraw/zinc/44/11/75/414441175.db2.gz DXVKAEHJHZPTGB-AWEZNQCLSA-N 0 3 263.300 2.844 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)c1ccccc1 ZINC000662080800 414398570 /nfs/dbraw/zinc/39/85/70/414398570.db2.gz MPQRSYCVMYVQCH-IYBDPMFKSA-N 0 3 270.376 2.832 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC1CCCC1 ZINC000662082339 414400622 /nfs/dbraw/zinc/40/06/22/414400622.db2.gz TZHXHFBPMPACPE-YUELXQCFSA-N 0 3 262.397 2.617 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1cccs1 ZINC000662081701 414400731 /nfs/dbraw/zinc/40/07/31/414400731.db2.gz RFSVXZYSRZEAQB-MCIONIFRSA-N 0 3 290.432 2.936 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCn1cnc2ccccc2c1=O ZINC000662087675 414403630 /nfs/dbraw/zinc/40/36/30/414403630.db2.gz HQFHCFVIDWFMNI-GASCZTMLSA-N 0 3 295.386 2.580 20 30 CFEDHN C=CCOc1cccc(NC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000659263381 414483811 /nfs/dbraw/zinc/48/38/11/414483811.db2.gz AAKWFIKTCROEFO-UHFFFAOYSA-N 0 3 286.375 2.852 20 30 CFEDHN C=CCCCCCNCCS(=O)(=O)c1ccccc1 ZINC000656153283 414524528 /nfs/dbraw/zinc/52/45/28/414524528.db2.gz JNBMVMTXDJWVFW-UHFFFAOYSA-N 0 3 281.421 2.796 20 30 CFEDHN C=CCOCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000656535195 414599127 /nfs/dbraw/zinc/59/91/27/414599127.db2.gz VOGNOCLCVXAWMS-UHFFFAOYSA-N 0 3 285.771 2.737 20 30 CFEDHN C=CC[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000662782766 414608727 /nfs/dbraw/zinc/60/87/27/414608727.db2.gz GZLBCFJNHANHJA-AWEZNQCLSA-N 0 3 280.755 2.682 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H](OC)[C@H]1CCOC1 ZINC000659815699 414567374 /nfs/dbraw/zinc/56/73/74/414567374.db2.gz ISEVWWLQYGKTMU-ZFWWWQNUSA-N 0 3 281.421 2.788 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662631403 414581957 /nfs/dbraw/zinc/58/19/57/414581957.db2.gz SOCRQAPKGVCWJP-WMLDXEAASA-N 0 3 284.403 2.688 20 30 CFEDHN N#Cc1ccc(NCCN2CCCCCC2)c(F)c1 ZINC000040768098 174398680 /nfs/dbraw/zinc/39/86/80/174398680.db2.gz MYERFGKTBWVHNZ-UHFFFAOYSA-N 0 3 261.344 2.985 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(C)(C)C ZINC000045073501 175302791 /nfs/dbraw/zinc/30/27/91/175302791.db2.gz ADFVGQOXCHIBLS-GFCCVEGCSA-N 0 3 273.380 2.863 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CCC1)C(C)C ZINC000046049349 175390892 /nfs/dbraw/zinc/39/08/92/175390892.db2.gz HIYQCTZFUZQZKA-HNNXBMFYSA-N 0 3 264.413 2.601 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(OCC)cc1 ZINC000046342229 175395753 /nfs/dbraw/zinc/39/57/53/175395753.db2.gz XQOAVISHKRTGST-HNNXBMFYSA-N 0 3 293.407 2.723 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000076801888 177099432 /nfs/dbraw/zinc/09/94/32/177099432.db2.gz GQBQRRNRGXXOBB-AWEZNQCLSA-N 0 3 260.381 2.589 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(C#N)cc1 ZINC000078694030 177372316 /nfs/dbraw/zinc/37/23/16/177372316.db2.gz UOZZGSJJHVDDFY-INIZCTEOSA-N 0 3 285.391 2.553 20 30 CFEDHN N#CC(C(=O)c1ccc2nsnc2c1)c1ccccn1 ZINC000344416265 225052461 /nfs/dbraw/zinc/05/24/61/225052461.db2.gz CMFWKOOEUNVZLA-SNVBAGLBSA-N 0 3 280.312 2.576 20 30 CFEDHN CC(C#N)C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000334600147 225077374 /nfs/dbraw/zinc/07/73/74/225077374.db2.gz XSYZVZJYRCVWAN-JTQLQIEISA-N 0 3 262.740 2.501 20 30 CFEDHN COCCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000353855466 225136153 /nfs/dbraw/zinc/13/61/53/225136153.db2.gz NGFZZRASONWJQI-HZPDHXFCSA-N 0 3 288.391 2.884 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000347115204 226029653 /nfs/dbraw/zinc/02/96/53/226029653.db2.gz PRNSMMNLHFMTTG-NTZNESFSSA-N 0 3 260.312 2.690 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)(F)F)cc1)c1ccncn1 ZINC000354462264 227001999 /nfs/dbraw/zinc/00/19/99/227001999.db2.gz HCYYLPGMGSNTNT-LLVKDONJSA-N 0 3 291.232 2.985 20 30 CFEDHN N#CC(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccncn1 ZINC000354470511 227006851 /nfs/dbraw/zinc/00/68/51/227006851.db2.gz SANQESBBCQIOSS-CQSZACIVSA-N 0 3 288.310 2.522 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000352605241 227103010 /nfs/dbraw/zinc/10/30/10/227103010.db2.gz JZTUGBRNIAIRBJ-VIFPVBQESA-N 0 3 252.264 2.574 20 30 CFEDHN CC(C#N)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000352683625 227159448 /nfs/dbraw/zinc/15/94/48/227159448.db2.gz KXIGWBXSTOLIAW-PWSUYJOCSA-N 0 3 284.281 2.998 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C=C[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000352842967 227319118 /nfs/dbraw/zinc/31/91/18/227319118.db2.gz PPRCCKCRDLQOAV-YPMHNXCESA-N 0 3 296.292 2.604 20 30 CFEDHN Cc1nc(CC(C)C)oc1C(=O)NCC1=CCN(C)CC1 ZINC000330011237 228016270 /nfs/dbraw/zinc/01/62/70/228016270.db2.gz IQUHUYHSWLMKIS-UHFFFAOYSA-N 0 3 291.395 2.748 20 30 CFEDHN N#C[C@H]1CC[C@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333035213 228188061 /nfs/dbraw/zinc/18/80/61/228188061.db2.gz CZNMSQAZZYBLCH-AAEUAGOBSA-N 0 3 270.332 2.686 20 30 CFEDHN N#CC1CCC(CNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000333245051 228194617 /nfs/dbraw/zinc/19/46/17/228194617.db2.gz BOXMPJDETSWGGO-UHFFFAOYSA-N 0 3 298.390 2.741 20 30 CFEDHN C=CC[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000116849533 260003230 /nfs/dbraw/zinc/00/32/30/260003230.db2.gz WVQYAWCXDOYBTH-AWEZNQCLSA-N 0 3 272.392 2.977 20 30 CFEDHN C#CCN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179694454 260064737 /nfs/dbraw/zinc/06/47/37/260064737.db2.gz JJGXYQWLHJXMPX-AWEZNQCLSA-N 0 3 266.344 2.944 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](CCC)CCO ZINC000080523777 260181047 /nfs/dbraw/zinc/18/10/47/260181047.db2.gz CMYWCALFQJNBSS-HNNXBMFYSA-N 0 3 275.392 2.587 20 30 CFEDHN CC(C)[C@@](C)(O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000312702239 260192679 /nfs/dbraw/zinc/19/26/79/260192679.db2.gz NYQJCSCFCRBGRI-CGZBRXJRSA-N 0 3 272.392 2.607 20 30 CFEDHN CO[C@@H]1CCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000086037892 260206622 /nfs/dbraw/zinc/20/66/22/260206622.db2.gz KPIVBHWLMPTALH-JCCCHCCOSA-N 0 3 270.376 2.767 20 30 CFEDHN Cc1cccc(CN2CCN(CCCCC#N)CC2)c1 ZINC000071090408 260271695 /nfs/dbraw/zinc/27/16/95/260271695.db2.gz IRQAPEIEYOZDOB-UHFFFAOYSA-N 0 3 271.408 2.807 20 30 CFEDHN C=C(CC)CNCc1cncc(Br)c1 ZINC000313493731 260298202 /nfs/dbraw/zinc/29/82/02/260298202.db2.gz GEIBICUBYFUWMG-UHFFFAOYSA-N 0 3 255.159 2.900 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000313492207 260298252 /nfs/dbraw/zinc/29/82/52/260298252.db2.gz MLGOUZSTNGYYPE-ZDUSSCGKSA-N 0 3 296.436 2.554 20 30 CFEDHN N#CCCn1cc(CNC2CC2)c(-c2ccccc2)n1 ZINC000078409891 260300302 /nfs/dbraw/zinc/30/03/02/260300302.db2.gz AHWFLSDIWXZCQQ-UHFFFAOYSA-N 0 3 266.348 2.716 20 30 CFEDHN C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H](C)C1 ZINC000127269096 260362074 /nfs/dbraw/zinc/36/20/74/260362074.db2.gz YIFIECMBIDZIGZ-LSDHHAIUSA-N 0 3 291.439 2.697 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000448924800 260778544 /nfs/dbraw/zinc/77/85/44/260778544.db2.gz ZMGPCLGCLJMZKM-HOCLYGCPSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2(C(C)C)CC2)CC1 ZINC000175612241 261236474 /nfs/dbraw/zinc/23/64/74/261236474.db2.gz ODOIIXVPHJEUBE-UHFFFAOYSA-N 0 3 293.455 2.762 20 30 CFEDHN CN(C(=O)CN1CCCC1(C)C)C1(C#N)CCCCC1 ZINC000102930799 261272839 /nfs/dbraw/zinc/27/28/39/261272839.db2.gz NZVUNDZROXFMCL-UHFFFAOYSA-N 0 3 277.412 2.546 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000106037842 261320601 /nfs/dbraw/zinc/32/06/01/261320601.db2.gz VQMRAVFJEWKBGM-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CN(C)c1ccncc1CNc1ccc(CC#N)cc1 ZINC000185157549 262043559 /nfs/dbraw/zinc/04/35/59/262043559.db2.gz CANRGOKYYSPXFF-UHFFFAOYSA-N 0 3 266.348 2.826 20 30 CFEDHN CC(C)C[C@@H](CO)N(C)CC#Cc1ccc(F)cc1 ZINC000185350470 262051563 /nfs/dbraw/zinc/05/15/63/262051563.db2.gz WGNVQDDIHCTCAW-INIZCTEOSA-N 0 3 263.356 2.516 20 30 CFEDHN CCN(Cc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1)C1CC1 ZINC000108841412 262063550 /nfs/dbraw/zinc/06/35/50/262063550.db2.gz SAKMJPQQRJLARI-KRWDZBQOSA-N 0 3 297.402 2.703 20 30 CFEDHN CCNC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185778982 262069986 /nfs/dbraw/zinc/06/99/86/262069986.db2.gz PMAFSPIQVZCTOK-GDBMZVCRSA-N 0 3 285.391 2.608 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000185783689 262070656 /nfs/dbraw/zinc/07/06/56/262070656.db2.gz IROIOFXBSOUVDV-YPMHNXCESA-N 0 3 259.309 2.767 20 30 CFEDHN CCNC(=O)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185791362 262071251 /nfs/dbraw/zinc/07/12/51/262071251.db2.gz QUSQFWWCXFHSJL-CJNGLKHVSA-N 0 3 285.391 2.608 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCCOc2cccc(F)c2)C1 ZINC000185791157 262071556 /nfs/dbraw/zinc/07/15/56/262071556.db2.gz PBZCPLQCLCWDMT-TZMCWYRMSA-N 0 3 262.328 2.876 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2ccccc2F)C1 ZINC000185793241 262071872 /nfs/dbraw/zinc/07/18/72/262071872.db2.gz YIYKARZOBQWKEN-YWPYICTPSA-N 0 3 262.328 2.531 20 30 CFEDHN C#CCN1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000364247423 262190417 /nfs/dbraw/zinc/19/04/17/262190417.db2.gz WZEYIBQOQHSGBD-HNNXBMFYSA-N 0 3 265.360 2.889 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc2ccccc2c1 ZINC000120461908 262196371 /nfs/dbraw/zinc/19/63/71/262196371.db2.gz UQUPHZAQEUDTFO-ZDUSSCGKSA-N 0 3 268.360 2.793 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000116937311 262196761 /nfs/dbraw/zinc/19/67/61/262196761.db2.gz IGUSAGCXTCNDKK-ZDUSSCGKSA-N 0 3 275.396 2.512 20 30 CFEDHN N#CCCCN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192116262 262198647 /nfs/dbraw/zinc/19/86/47/262198647.db2.gz UTTUOFDWYLUMRM-KBPBESRZSA-N 0 3 266.291 2.688 20 30 CFEDHN CCCC(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000364322404 262201665 /nfs/dbraw/zinc/20/16/65/262201665.db2.gz UAWGMLQFBAOZJQ-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000364653308 262256117 /nfs/dbraw/zinc/25/61/17/262256117.db2.gz DREGYPPWHUBUHJ-QGZVFWFLSA-N 0 3 299.418 2.547 20 30 CFEDHN C=CC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000111257997 262258190 /nfs/dbraw/zinc/25/81/90/262258190.db2.gz JMMUMQRFYULQBY-UHFFFAOYSA-N 0 3 259.349 2.856 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000111256785 262258629 /nfs/dbraw/zinc/25/86/29/262258629.db2.gz KWHFKBZFCSCGQB-CQSZACIVSA-N 0 3 272.392 2.589 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)Cc2ccccc2C)CC1 ZINC000111256691 262258643 /nfs/dbraw/zinc/25/86/43/262258643.db2.gz SIUIUDUWWCRARU-UHFFFAOYSA-N 0 3 286.419 2.851 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1ccccc1Br ZINC000334217713 262261455 /nfs/dbraw/zinc/26/14/55/262261455.db2.gz DCCKRYRULVRDPE-VIFPVBQESA-N 0 3 295.180 2.960 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000184262329 262274845 /nfs/dbraw/zinc/27/48/45/262274845.db2.gz MGMMXRWDMCVZQC-LLVKDONJSA-N 0 3 275.270 2.612 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000111530331 262275090 /nfs/dbraw/zinc/27/50/90/262275090.db2.gz MEJQMVCMJNXIPV-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(C(F)(F)F)c1 ZINC000184287741 262276619 /nfs/dbraw/zinc/27/66/19/262276619.db2.gz OZQXMHIIHLFXMJ-GFCCVEGCSA-N 0 3 259.271 2.732 20 30 CFEDHN CC(C)NC(=O)OC[C@@H]1CCCCN1CCCCC#N ZINC000495747534 262299331 /nfs/dbraw/zinc/29/93/31/262299331.db2.gz GQUMISDNMFWCGW-AWEZNQCLSA-N 0 3 281.400 2.669 20 30 CFEDHN C=CC[C@@H](CO)NCc1sccc1Br ZINC000185063319 262300792 /nfs/dbraw/zinc/30/07/92/262300792.db2.gz CWJSJSPGKZRGEM-QMMMGPOBSA-N 0 3 276.199 2.537 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000186717969 262320722 /nfs/dbraw/zinc/32/07/22/262320722.db2.gz NTAGRJFRYPPVJF-PWSUYJOCSA-N 0 3 271.307 2.876 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186710922 262321195 /nfs/dbraw/zinc/32/11/95/262321195.db2.gz OUQQSJRANCBNEU-ZFWWWQNUSA-N 0 3 278.352 2.963 20 30 CFEDHN CC[C@H](CC#N)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496517212 262348524 /nfs/dbraw/zinc/34/85/24/262348524.db2.gz YFTRHFFRKQTFFP-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000111632149 262353946 /nfs/dbraw/zinc/35/39/46/262353946.db2.gz IRILVTJTKXTFMZ-MCIONIFRSA-N 0 3 264.413 2.672 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC2(C1)CCC(C)CC2 ZINC000365257886 262355524 /nfs/dbraw/zinc/35/55/24/262355524.db2.gz AXDWTXPKEXQVPI-ISXOHVOVSA-N 0 3 291.439 2.649 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000355353784 262363573 /nfs/dbraw/zinc/36/35/73/262363573.db2.gz KEQOPPLGBMJJAR-UONOGXRCSA-N 0 3 279.428 2.505 20 30 CFEDHN N#CCSCCCN1CC[C@@H]1Cc1ccccc1 ZINC000336731265 262385561 /nfs/dbraw/zinc/38/55/61/262385561.db2.gz RBHCQWNLAYGAHC-OAHLLOKOSA-N 0 3 260.406 2.950 20 30 CFEDHN CN(CCCC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000339003462 262579283 /nfs/dbraw/zinc/57/92/83/262579283.db2.gz MOWHOEAZVRGDMO-OLZOCXBDSA-N 0 3 266.385 2.732 20 30 CFEDHN C=CCC[C@@H](NCCCS(=O)(=O)CC)c1ccco1 ZINC000414337740 262846467 /nfs/dbraw/zinc/84/64/67/262846467.db2.gz JMEXGHLGLGDBCB-CYBMUJFWSA-N 0 3 285.409 2.701 20 30 CFEDHN CC(C)(C#N)CCN1CCc2ccccc2[C@@H]1CO ZINC000272019456 263001401 /nfs/dbraw/zinc/00/14/01/263001401.db2.gz MJLJWULGLCUKAP-HNNXBMFYSA-N 0 3 258.365 2.518 20 30 CFEDHN C=CCN(CCCSCC#N)CCc1ccco1 ZINC000272300389 263003192 /nfs/dbraw/zinc/00/31/92/263003192.db2.gz POSWFGSTHDXNEQ-UHFFFAOYSA-N 0 3 264.394 2.957 20 30 CFEDHN C[S@@](=O)C[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000273391756 263016517 /nfs/dbraw/zinc/01/65/17/263016517.db2.gz NSHZQHASPHUNNT-AUUYWEPGSA-N 0 3 278.421 2.636 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274596639 263027242 /nfs/dbraw/zinc/02/72/42/263027242.db2.gz GRQYDRBEPLHGRS-DMDPSCGWSA-N 0 3 259.309 2.938 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274656339 263028774 /nfs/dbraw/zinc/02/87/74/263028774.db2.gz UMBCMGAZFPEOKJ-SCRDCRAPSA-N 0 3 272.348 2.801 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000278673101 263049755 /nfs/dbraw/zinc/04/97/55/263049755.db2.gz JILUUIRMISVHFP-AAEUAGOBSA-N 0 3 289.335 2.775 20 30 CFEDHN C=CCOc1ccc(CN2CCCO[C@H](C)C2)cc1 ZINC000353438638 263054567 /nfs/dbraw/zinc/05/45/67/263054567.db2.gz UTSKMGPBPMUQNU-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279317168 263054603 /nfs/dbraw/zinc/05/46/03/263054603.db2.gz FRBCKQIQPRQIEB-KBRIMQKVSA-N 0 3 295.386 2.935 20 30 CFEDHN C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279348071 263054960 /nfs/dbraw/zinc/05/49/60/263054960.db2.gz QFJWLXLNWHQVDF-WMLDXEAASA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279673776 263056584 /nfs/dbraw/zinc/05/65/84/263056584.db2.gz FWAASYJXVFQHQJ-XOKHGSTOSA-N 0 3 295.386 2.935 20 30 CFEDHN CC(C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280171671 263059493 /nfs/dbraw/zinc/05/94/93/263059493.db2.gz SMGHSEVAYFRJMW-MRXNPFEDSA-N 0 3 295.386 2.793 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228271 263059809 /nfs/dbraw/zinc/05/98/09/263059809.db2.gz AXMNSXISAFNFOR-CPUCHLNUSA-N 0 3 295.386 2.888 20 30 CFEDHN CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280256465 263060053 /nfs/dbraw/zinc/06/00/53/263060053.db2.gz MFAXQORXUVITON-INIZCTEOSA-N 0 3 299.418 2.702 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000340050903 263061964 /nfs/dbraw/zinc/06/19/64/263061964.db2.gz DEWWMAYOGZLOEH-UHFFFAOYSA-N 0 3 296.455 2.594 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(CC#N)cc1)N1CCCC[C@H]1C ZINC000340066739 263065646 /nfs/dbraw/zinc/06/56/46/263065646.db2.gz INVLMDZFNGGNKY-HUUCEWRRSA-N 0 3 299.418 2.745 20 30 CFEDHN C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1[O-] ZINC000281142265 263066835 /nfs/dbraw/zinc/06/68/35/263066835.db2.gz AUPLHYLTEWPQRH-UHFFFAOYSA-N 0 3 288.391 2.925 20 30 CFEDHN C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1[O-] ZINC000281142265 263066836 /nfs/dbraw/zinc/06/68/36/263066836.db2.gz AUPLHYLTEWPQRH-UHFFFAOYSA-N 0 3 288.391 2.925 20 30 CFEDHN N#CC1CCC(C[NH2+]Cc2cc([O-])cc(F)c2)CC1 ZINC000281757171 263071669 /nfs/dbraw/zinc/07/16/69/263071669.db2.gz RLNMSPLQFYKOSX-UHFFFAOYSA-N 0 3 262.328 2.951 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)Cc1cccnc1 ZINC000282088502 263074346 /nfs/dbraw/zinc/07/43/46/263074346.db2.gz VAFOWBHHKQMBDZ-UHFFFAOYSA-N 0 3 273.380 2.614 20 30 CFEDHN CC[C@H](NCC1CCC(C#N)CC1)c1nccn1C ZINC000282458095 263076703 /nfs/dbraw/zinc/07/67/03/263076703.db2.gz VLENQDIRVIUTIG-RUXDESIVSA-N 0 3 260.385 2.791 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000104698993 263078005 /nfs/dbraw/zinc/07/80/05/263078005.db2.gz NAVNBBIBMKIIJB-CZUORRHYSA-N 0 3 272.392 2.808 20 30 CFEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCC(C)(C)C#N ZINC000283665204 263083730 /nfs/dbraw/zinc/08/37/30/263083730.db2.gz FORKUPRGCXBHNU-CABCVRRESA-N 0 3 284.407 2.980 20 30 CFEDHN CN(C)CCN(Cc1ccco1)CC(C)(C)CCC#N ZINC000289485703 263110411 /nfs/dbraw/zinc/11/04/11/263110411.db2.gz RATOXRRCAIMSNU-UHFFFAOYSA-N 0 3 277.412 2.973 20 30 CFEDHN Cc1ccc(NC(=O)CCCC#N)c(OCCN(C)C)c1 ZINC000291372352 263121586 /nfs/dbraw/zinc/12/15/86/263121586.db2.gz BINIMHZMBMXJPI-UHFFFAOYSA-N 0 3 289.379 2.568 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)CC2CCN(C)CC2)cc1 ZINC000291399851 263122097 /nfs/dbraw/zinc/12/20/97/263122097.db2.gz BENNQPQANMIPRT-UHFFFAOYSA-N 0 3 299.418 2.974 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292116620 263128703 /nfs/dbraw/zinc/12/87/03/263128703.db2.gz MTNKZRKYQXBSCU-DOTOQJQBSA-N 0 3 299.418 2.850 20 30 CFEDHN COCCN(CCOCCC#N)[C@H](C)c1ccccc1 ZINC000293063203 263137655 /nfs/dbraw/zinc/13/76/55/263137655.db2.gz LGBSBAOBRMNYNT-OAHLLOKOSA-N 0 3 276.380 2.626 20 30 CFEDHN N#CCCOCCN1CC[C@@H](c2ccccc2F)C1 ZINC000293101097 263137864 /nfs/dbraw/zinc/13/78/64/263137864.db2.gz NVGVNTZUSSZFBI-CYBMUJFWSA-N 0 3 262.328 2.545 20 30 CFEDHN COc1ccccc1C[C@H]1CCCN1CCOCCC#N ZINC000293129123 263138143 /nfs/dbraw/zinc/13/81/43/263138143.db2.gz PQPLYXZIYPHWBD-MRXNPFEDSA-N 0 3 288.391 2.632 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000452772507 263143775 /nfs/dbraw/zinc/14/37/75/263143775.db2.gz FPJJHNJIOLFSGM-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCOCCC#N ZINC000293610788 263144047 /nfs/dbraw/zinc/14/40/47/263144047.db2.gz VPCSPSABJKLGSO-LLVKDONJSA-N 0 3 268.307 2.888 20 30 CFEDHN CN1CCN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1Cc1ccccc1 ZINC000293685343 263147185 /nfs/dbraw/zinc/14/71/85/263147185.db2.gz AWRYJGRDBYGCNZ-KSZLIROESA-N 0 3 283.419 2.537 20 30 CFEDHN Cc1cnc(C2CCN(CCOCCC#N)CC2)s1 ZINC000294004217 263153958 /nfs/dbraw/zinc/15/39/58/263153958.db2.gz GHBHUCHEZFLYMU-UHFFFAOYSA-N 0 3 279.409 2.561 20 30 CFEDHN CC[C@H]1Cc2ccccc2CN1CCOCCC#N ZINC000294447665 263161807 /nfs/dbraw/zinc/16/18/07/263161807.db2.gz FSBPWVNGVAGCJL-INIZCTEOSA-N 0 3 258.365 2.754 20 30 CFEDHN COC(=O)c1cc(CN[C@H]2CC[C@@H](CC#N)C2)oc1C ZINC000294951691 263169700 /nfs/dbraw/zinc/16/97/00/263169700.db2.gz DBYSODPFUUSLHL-RYUDHWBXSA-N 0 3 276.336 2.547 20 30 CFEDHN C=CCN(CCC#N)CCN(C)Cc1ccccc1 ZINC000295173874 263173885 /nfs/dbraw/zinc/17/38/85/263173885.db2.gz HDQPQIPLEQYKFO-UHFFFAOYSA-N 0 3 257.381 2.520 20 30 CFEDHN N#CCSCCCN1CCC=C(c2cccnc2)C1 ZINC000296043216 263185090 /nfs/dbraw/zinc/18/50/90/263185090.db2.gz SVIZABSRPRRHDI-UHFFFAOYSA-N 0 3 273.405 2.818 20 30 CFEDHN CN(CCCSCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296323483 263190144 /nfs/dbraw/zinc/19/01/44/263190144.db2.gz OWZLQVULESKJPW-AWEZNQCLSA-N 0 3 298.839 2.952 20 30 CFEDHN COc1cccc(OC)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000296598785 263194020 /nfs/dbraw/zinc/19/40/20/263194020.db2.gz GAWOGOAUFMHSAG-STQMWFEESA-N 0 3 274.364 2.876 20 30 CFEDHN COc1ccc(OCCN(C)[C@H](C)CCC#N)cc1 ZINC000297733932 263208796 /nfs/dbraw/zinc/20/87/96/263208796.db2.gz CSONUMNYMJFSHX-CYBMUJFWSA-N 0 3 262.353 2.698 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000299164892 263232968 /nfs/dbraw/zinc/23/29/68/263232968.db2.gz XSPOBYFYYCTUNY-SOZUMNATSA-N 0 3 264.394 2.767 20 30 CFEDHN C=CCC[C@H](NCc1nnc2n1CCCCC2)C1CC1 ZINC000119870881 263279246 /nfs/dbraw/zinc/27/92/46/263279246.db2.gz IFUCUUYCWUTRRZ-AWEZNQCLSA-N 0 3 274.412 2.839 20 30 CFEDHN CCC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000120862215 263286766 /nfs/dbraw/zinc/28/67/66/263286766.db2.gz DTLPZJUJPCQKAV-UXLLHSPISA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCCN(C)Cc1cnc2c(c1)c(C)nn2C ZINC000121149364 263289993 /nfs/dbraw/zinc/28/99/93/263289993.db2.gz SQZJHAIOGNEMRU-UHFFFAOYSA-N 0 3 258.369 2.675 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccccc1C(C)C ZINC000121263604 263290808 /nfs/dbraw/zinc/29/08/08/263290808.db2.gz XXHMJWMYZYOFHT-CQSZACIVSA-N 0 3 263.381 2.668 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000121497510 263294316 /nfs/dbraw/zinc/29/43/16/263294316.db2.gz SBKMKHGIAUAEII-LBPRGKRZSA-N 0 3 269.772 2.506 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccccc1SC ZINC000121583684 263295444 /nfs/dbraw/zinc/29/54/44/263295444.db2.gz PMPNAGSKDTXMTC-UHFFFAOYSA-N 0 3 264.394 2.855 20 30 CFEDHN C=CC[C@@H](CO)CNc1cc(C)nc2ccccc21 ZINC000340876720 263311406 /nfs/dbraw/zinc/31/14/06/263311406.db2.gz HAJAHCGDWOWZBW-CYBMUJFWSA-N 0 3 256.349 2.562 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCCN1CCCC[C@H]1CC ZINC000341217398 263326788 /nfs/dbraw/zinc/32/67/88/263326788.db2.gz NLCMNROSGNIYKA-HUUCEWRRSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCN(CCn1cc(C)cn1)Cc1ccc(OC)cc1 ZINC000341835701 263353350 /nfs/dbraw/zinc/35/33/50/263353350.db2.gz ONQQHTZZLWBTAR-UHFFFAOYSA-N 0 3 285.391 2.888 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000341887222 263363381 /nfs/dbraw/zinc/36/33/81/263363381.db2.gz OIVLXIIBXDHAQZ-CZUORRHYSA-N 0 3 291.391 2.683 20 30 CFEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2ccc(F)cc21 ZINC000341888176 263364331 /nfs/dbraw/zinc/36/43/31/263364331.db2.gz PPKSAMATMMJXLT-WFASDCNBSA-N 0 3 279.355 2.814 20 30 CFEDHN COCC1(C#N)CCN(CCCC(C)(C)C#N)CC1 ZINC000341980432 263370161 /nfs/dbraw/zinc/37/01/61/263370161.db2.gz ADKHRUKTMFGYHZ-UHFFFAOYSA-N 0 3 263.385 2.569 20 30 CFEDHN COCC1(C#N)CCN(Cc2ccc(C)cc2)CC1 ZINC000341996163 263373863 /nfs/dbraw/zinc/37/38/63/263373863.db2.gz VNKWGJLMPSHKMM-UHFFFAOYSA-N 0 3 258.365 2.747 20 30 CFEDHN C=C1CCN(C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000341998899 263375135 /nfs/dbraw/zinc/37/51/35/263375135.db2.gz JAAIFXXKGKRKCG-INIZCTEOSA-N 0 3 275.392 2.695 20 30 CFEDHN COCC1(C#N)CCN(CCc2ccc(C)cc2)CC1 ZINC000341984890 263380502 /nfs/dbraw/zinc/38/05/02/263380502.db2.gz HOFYUBGZZSWWNH-UHFFFAOYSA-N 0 3 272.392 2.790 20 30 CFEDHN CC#CCCCC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000342038456 263386501 /nfs/dbraw/zinc/38/65/01/263386501.db2.gz IRWKEOAMTFLHSN-GJZGRUSLSA-N 0 3 264.413 2.559 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCC)CCN1CCCC1 ZINC000342190190 263396864 /nfs/dbraw/zinc/39/68/64/263396864.db2.gz BNIPRXWMFFEHHM-OAHLLOKOSA-N 0 3 266.429 2.923 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000424847453 263820632 /nfs/dbraw/zinc/82/06/32/263820632.db2.gz NIWTXAHCSPMIOU-QLFBSQMISA-N 0 3 278.440 2.777 20 30 CFEDHN Cc1cc2cc(NC(=O)NC[C@@H](C)N(C)C)ccc2[nH]1 ZINC000330419597 263934210 /nfs/dbraw/zinc/93/42/10/263934210.db2.gz YXQHRNZLXBQDFF-LLVKDONJSA-N 0 3 274.368 2.752 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000330678613 264002560 /nfs/dbraw/zinc/00/25/60/264002560.db2.gz WQKSOLZZYWHZLY-NSHDSACASA-N 0 3 297.380 2.835 20 30 CFEDHN CCCCn1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c(C)n1 ZINC000331026413 264099735 /nfs/dbraw/zinc/09/97/35/264099735.db2.gz PDQYBQLDWZCCMI-GXTWGEPZSA-N 0 3 292.427 2.779 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCCN2CC)c1C ZINC000331064484 264111717 /nfs/dbraw/zinc/11/17/17/264111717.db2.gz FAPFGCINEHYPLV-GXTWGEPZSA-N 0 3 292.427 2.951 20 30 CFEDHN CCc1nc(C)c(NC(=O)NCCN2CCCCC2)s1 ZINC000331210858 264162563 /nfs/dbraw/zinc/16/25/63/264162563.db2.gz XZUUAEJFTHRLIP-UHFFFAOYSA-N 0 3 296.440 2.826 20 30 CFEDHN CCc1ccc(C(=O)NC2CC[NH+](CC)CC2)c([O-])c1 ZINC000331240262 264176100 /nfs/dbraw/zinc/17/61/00/264176100.db2.gz PENKCIPNTADPSR-UHFFFAOYSA-N 0 3 276.380 2.744 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccccc1C ZINC000126585899 264215098 /nfs/dbraw/zinc/21/50/98/264215098.db2.gz LSZAAEFEZYQPAC-OAHLLOKOSA-N 0 3 272.392 2.846 20 30 CFEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(CC#N)cc1 ZINC000425486012 264353750 /nfs/dbraw/zinc/35/37/50/264353750.db2.gz UHVAVHIVSXYAHU-QGZVFWFLSA-N 0 3 271.408 2.525 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191371435 264497454 /nfs/dbraw/zinc/49/74/54/264497454.db2.gz OOTSJIIQEFIRPS-LBPRGKRZSA-N 0 3 279.453 2.964 20 30 CFEDHN CC(C)Oc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000442707426 264575048 /nfs/dbraw/zinc/57/50/48/264575048.db2.gz GQLBQPFSPMHLDM-OCCSQVGLSA-N 0 3 259.353 2.651 20 30 CFEDHN C=CCN1CCC(NC(=O)N2Cc3ccccc3[C@H]2C)CC1 ZINC000335828704 265219232 /nfs/dbraw/zinc/21/92/32/265219232.db2.gz BBMUNIHARCLNIR-CQSZACIVSA-N 0 3 299.418 2.923 20 30 CFEDHN CC(C)OCC(C)(C)NCc1ccc(C#N)s1 ZINC000396357576 265864123 /nfs/dbraw/zinc/86/41/23/265864123.db2.gz HUWFOYWRQYZOAI-UHFFFAOYSA-N 0 3 252.383 2.913 20 30 CFEDHN CCCN(CCOCCC#N)Cc1ccc(C#N)cc1 ZINC000293544916 266046709 /nfs/dbraw/zinc/04/67/09/266046709.db2.gz QRQOHWVQMAEWDP-UHFFFAOYSA-N 0 3 271.364 2.701 20 30 CFEDHN CCOC[C@@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000313478163 266283308 /nfs/dbraw/zinc/28/33/08/266283308.db2.gz CHHKCOKOOHGXAY-INIZCTEOSA-N 0 3 288.391 2.828 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C)CC1 ZINC000357395344 266289570 /nfs/dbraw/zinc/28/95/70/266289570.db2.gz YDKMVSWJDWKZRM-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(C[C@H](O)COc1c(C)cccc1C)C1CC1 ZINC000357550480 266320185 /nfs/dbraw/zinc/32/01/85/266320185.db2.gz FFJIEMNQSCCYAD-INIZCTEOSA-N 0 3 275.392 2.694 20 30 CFEDHN C=CCN(C(=O)NCCN1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000357591864 266332773 /nfs/dbraw/zinc/33/27/73/266332773.db2.gz UJTGVDDXZGFYLM-KBPBESRZSA-N 0 3 279.428 2.609 20 30 CFEDHN Cc1nc(-c2ccc(CCNC(=O)C(C)C#N)cc2)cs1 ZINC000357840192 266375283 /nfs/dbraw/zinc/37/52/83/266375283.db2.gz VEVXZBOIDNUPJZ-LLVKDONJSA-N 0 3 299.399 2.937 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C1(C#N)CCC1)N(C)C ZINC000357880203 266381600 /nfs/dbraw/zinc/38/16/00/266381600.db2.gz WERBUDUKAHJJGV-HOCLYGCPSA-N 0 3 299.418 2.796 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1ccc(Br)s1 ZINC000357920505 266385912 /nfs/dbraw/zinc/38/59/12/266385912.db2.gz LNIDXAMGSJGDNW-GJMOJQLCSA-N 0 3 299.193 2.642 20 30 CFEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N(CC)CC ZINC000359172949 266546184 /nfs/dbraw/zinc/54/61/84/266546184.db2.gz XLCCXKAVUAHHHS-CABCVRRESA-N 0 3 291.370 2.627 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000361641288 266861004 /nfs/dbraw/zinc/86/10/04/266861004.db2.gz YKHYEWIXZJYACB-RRFJBIMHSA-N 0 3 296.480 2.627 20 30 CFEDHN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000362541333 267004570 /nfs/dbraw/zinc/00/45/70/267004570.db2.gz LCPVNSIOFWWKAJ-QWHCGFSZSA-N 0 3 274.364 2.948 20 30 CFEDHN C=CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000362778844 267044602 /nfs/dbraw/zinc/04/46/02/267044602.db2.gz BQFPASGGRZUTSZ-UHFFFAOYSA-N 0 3 272.392 2.786 20 30 CFEDHN C#CCCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000363148019 267076839 /nfs/dbraw/zinc/07/68/39/267076839.db2.gz DSNLJCVRJBIJAB-SJORKVTESA-N 0 3 288.435 2.655 20 30 CFEDHN C=CCCC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000363196969 267079766 /nfs/dbraw/zinc/07/97/66/267079766.db2.gz YVERNXUKLRIFMR-UHFFFAOYSA-N 0 3 278.421 2.795 20 30 CFEDHN CC#CCCN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000368151259 267149798 /nfs/dbraw/zinc/14/97/98/267149798.db2.gz ZWLUPXJCYHBCTI-SFHVURJKSA-N 0 3 290.451 2.903 20 30 CFEDHN C=C(Cl)CNC1CCN(c2nc(C)cs2)CC1 ZINC000368582443 267188974 /nfs/dbraw/zinc/18/89/74/267188974.db2.gz KIVMSQJZNMJFMT-UHFFFAOYSA-N 0 3 271.817 2.762 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCCN1CCCC[C@@H]1CC ZINC000116959285 267195155 /nfs/dbraw/zinc/19/51/55/267195155.db2.gz UHTTXFYRBSICLV-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C#CCCCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000368904480 267211382 /nfs/dbraw/zinc/21/13/82/267211382.db2.gz KKCKYRRGJHHBMV-KRWDZBQOSA-N 0 3 284.403 2.523 20 30 CFEDHN N#CCCCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000368911871 267212838 /nfs/dbraw/zinc/21/28/38/267212838.db2.gz QNHMAVGZGDCDQQ-CVEARBPZSA-N 0 3 258.365 2.878 20 30 CFEDHN CC[C@H](F)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779908 267215008 /nfs/dbraw/zinc/21/50/08/267215008.db2.gz YRJLFBVPPOVSDT-HNNXBMFYSA-N 0 3 276.355 2.902 20 30 CFEDHN CC(C)c1nccn1[C@@H]1CCCN(CCCC#N)C1 ZINC000369032595 267218169 /nfs/dbraw/zinc/21/81/69/267218169.db2.gz NABYOBOSKDIRGP-CQSZACIVSA-N 0 3 260.385 2.947 20 30 CFEDHN CC(=O)N1CCCCC[C@H]1C1CCN(CCCC#N)CC1 ZINC000369514477 267247725 /nfs/dbraw/zinc/24/77/25/267247725.db2.gz BPJQMLXGGNHDKL-KRWDZBQOSA-N 0 3 291.439 2.793 20 30 CFEDHN CCCCCCCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000369593896 267252406 /nfs/dbraw/zinc/25/24/06/267252406.db2.gz XCHJXQAYVUUXIC-SJORKVTESA-N 0 3 282.472 2.878 20 30 CFEDHN CC(C)(C#N)CCCCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369878579 267272969 /nfs/dbraw/zinc/27/29/69/267272969.db2.gz SCAUJNPTZXNTPF-KRWDZBQOSA-N 0 3 294.439 2.976 20 30 CFEDHN CN1C(=O)c2ccccc2[C@H]1CNCc1cc(C#N)cs1 ZINC000527804233 267330632 /nfs/dbraw/zinc/33/06/32/267330632.db2.gz CHSRCDCKANNXCV-OAHLLOKOSA-N 0 3 297.383 2.536 20 30 CFEDHN C#CCCCC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000370621640 267332687 /nfs/dbraw/zinc/33/26/87/267332687.db2.gz GPVLLWXOZRMHDT-LJQANCHMSA-N 0 3 298.430 2.818 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC2(C#N)CCC2)C[C@H]1C ZINC000418141914 267363231 /nfs/dbraw/zinc/36/32/31/267363231.db2.gz MEYAHQFMRLSOOI-MGPQQGTHSA-N 0 3 278.396 2.638 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](NCC2(C#N)CCC2)C[C@@H]1C ZINC000418141911 267363613 /nfs/dbraw/zinc/36/36/13/267363613.db2.gz MEYAHQFMRLSOOI-MELADBBJSA-N 0 3 278.396 2.638 20 30 CFEDHN CCOC(=O)C1(C)CCC(NCC2(C#N)CCC2)CC1 ZINC000418141917 267363740 /nfs/dbraw/zinc/36/37/40/267363740.db2.gz MEZNLTKYMLARBP-UHFFFAOYSA-N 0 3 278.396 2.782 20 30 CFEDHN CC(C)(C#N)CCN1CCC(OCC2CC2)CC1 ZINC000371204551 267370989 /nfs/dbraw/zinc/37/09/89/267370989.db2.gz IGBGJIDXLYJIRY-UHFFFAOYSA-N 0 3 250.386 2.817 20 30 CFEDHN CC(C)(C#N)CCN1CCCC[C@H]1Cn1cccn1 ZINC000371208640 267372530 /nfs/dbraw/zinc/37/25/30/267372530.db2.gz PSRVZNYQHZQBOD-AWEZNQCLSA-N 0 3 260.385 2.677 20 30 CFEDHN C[C@@H](Cn1cccn1)N[C@H](CCC#N)c1ccccc1 ZINC000123163320 268003671 /nfs/dbraw/zinc/00/36/71/268003671.db2.gz SLAUZCAUQQALCY-GOEBONIOSA-N 0 3 268.364 2.906 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000376881458 268027605 /nfs/dbraw/zinc/02/76/05/268027605.db2.gz CRZZATNRDQSJDX-KRWDZBQOSA-N 0 3 298.430 2.817 20 30 CFEDHN N#Cc1ccc([C@@H](NC[C@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000521625177 268262050 /nfs/dbraw/zinc/26/20/50/268262050.db2.gz IGVOKOMZTODYFB-TVGUXLQWSA-N 0 3 297.402 2.501 20 30 CFEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCO2 ZINC000333091892 274133684 /nfs/dbraw/zinc/13/36/84/274133684.db2.gz OHSULDGGAWJNNH-ZOWXZIJZSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ncc(C#N)cc1Cl ZINC000286269996 274430077 /nfs/dbraw/zinc/43/00/77/274430077.db2.gz DKHIASAPXMJWCS-RISCZKNCSA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@H](CO)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000274029043 274494560 /nfs/dbraw/zinc/49/45/60/274494560.db2.gz NQEQWRGJBOVUJW-NEPJUHHUSA-N 0 3 285.309 2.663 20 30 CFEDHN N#Cc1c2c(cnc1N1CCN(C3CCCC3)CC1)CCC2 ZINC000425208943 274918634 /nfs/dbraw/zinc/91/86/34/274918634.db2.gz NYZTZRLOWPEGCQ-UHFFFAOYSA-N 0 3 296.418 2.507 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289685834 275435986 /nfs/dbraw/zinc/43/59/86/275435986.db2.gz HYQPFDCFUPSMDM-SKDRFNHKSA-N 0 3 259.271 2.903 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000289846478 275436053 /nfs/dbraw/zinc/43/60/53/275436053.db2.gz QEPMWDUVGUVXFN-RYUDHWBXSA-N 0 3 296.392 2.602 20 30 CFEDHN C=C(Br)CN[C@H]1CCCCC[C@H]1C(=O)OC ZINC000295431209 275737502 /nfs/dbraw/zinc/73/75/02/275737502.db2.gz DBXUZCARSVXEFP-MNOVXSKESA-N 0 3 290.201 2.607 20 30 CFEDHN CC1(C)OCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000295259012 275881782 /nfs/dbraw/zinc/88/17/82/275881782.db2.gz REMOJWHONDKFMW-CQSZACIVSA-N 0 3 263.768 2.849 20 30 CFEDHN CC1(C)C[C@]1(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000330145538 276150239 /nfs/dbraw/zinc/15/02/39/276150239.db2.gz HJINWDRCSXKXMD-OAHLLOKOSA-N 0 3 261.369 2.510 20 30 CFEDHN CC[C@@H]1OCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000414217585 276527603 /nfs/dbraw/zinc/52/76/03/276527603.db2.gz YPIZZGLHGOMTKG-OAGGEKHMSA-N 0 3 256.349 2.703 20 30 CFEDHN COC(=O)[C@H]1CC12CCN([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000265523704 277124102 /nfs/dbraw/zinc/12/41/02/277124102.db2.gz OMJXDOKDTQNVAI-XJKSGUPXSA-N 0 3 298.386 2.894 20 30 CFEDHN CC(C)(C)C(C)(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000431074851 277132245 /nfs/dbraw/zinc/13/22/45/277132245.db2.gz YUEXBXKIQQOCCW-CQSZACIVSA-N 0 3 287.407 2.747 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000162603720 277779741 /nfs/dbraw/zinc/77/97/41/277779741.db2.gz JJMMRSTWZISSRZ-BBWFWOEESA-N 0 3 299.418 2.889 20 30 CFEDHN C[C@@H](N(C)CC#Cc1cccc(Cl)c1)C(C)(C)O ZINC000295150202 278303073 /nfs/dbraw/zinc/30/30/73/278303073.db2.gz LYNRNIMDMFPDJC-GFCCVEGCSA-N 0 3 265.784 2.783 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](O)C(C)(C)C1 ZINC000275544021 278306311 /nfs/dbraw/zinc/30/63/11/278306311.db2.gz ZJTZFEZKDIGLQI-IUODEOHRSA-N 0 3 258.365 2.712 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN[C@H](C)C3)c2c1 ZINC000420245012 278669575 /nfs/dbraw/zinc/66/95/75/278669575.db2.gz RNMCPPFUODZPHI-CYBMUJFWSA-N 0 3 280.375 2.521 20 30 CFEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000162791793 279458501 /nfs/dbraw/zinc/45/85/01/279458501.db2.gz JDWLBHJTBYYDHQ-JSGCOSHPSA-N 0 3 263.768 2.706 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@@H]2CCN(C)C[C@@H]2C)c1C#N ZINC000273353963 280233667 /nfs/dbraw/zinc/23/36/67/280233667.db2.gz PODOQSBFWVDAAR-IINYFYTJSA-N 0 3 292.814 2.692 20 30 CFEDHN CC(C)C[C@H](CNC(=O)/C=C\c1cccc(C#N)c1)N(C)C ZINC000255086579 281086742 /nfs/dbraw/zinc/08/67/42/281086742.db2.gz HWWQXGZPZPBIJJ-XZVRFQMRSA-N 0 3 299.418 2.664 20 30 CFEDHN COc1ccccc1OCCNCc1ccc(C#N)s1 ZINC000537200043 281533158 /nfs/dbraw/zinc/53/31/58/281533158.db2.gz ZTJSMJYWBHXHKP-UHFFFAOYSA-N 0 3 288.372 2.797 20 30 CFEDHN C[C@H](NC[C@@H](O)COc1ccccc1)c1cccc(C#N)c1 ZINC000540596913 281587965 /nfs/dbraw/zinc/58/79/65/281587965.db2.gz HQYAYTVZPPSUPF-WMLDXEAASA-N 0 3 296.370 2.649 20 30 CFEDHN N#Cc1ccccc1CN[C@@H](CO)C1CCCCC1 ZINC000542910849 281637431 /nfs/dbraw/zinc/63/74/31/281637431.db2.gz NBXJRKPJMBXILP-INIZCTEOSA-N 0 3 258.365 2.589 20 30 CFEDHN Cc1cc(CN2CCC3(CCO3)CC2)ccc1C#N ZINC000548863991 281805567 /nfs/dbraw/zinc/80/55/67/281805567.db2.gz UXGZJBCIRTYOBN-UHFFFAOYSA-N 0 3 256.349 2.622 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)cc2)CCO[C@@H]1C1CC1 ZINC000273115684 289202997 /nfs/dbraw/zinc/20/29/97/289202997.db2.gz YLMYBKBPDOISTJ-HZPDHXFCSA-N 0 3 256.349 2.605 20 30 CFEDHN CN(C)C[C@H]1CCCCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000491533954 289209807 /nfs/dbraw/zinc/20/98/07/289209807.db2.gz SHFRPKQRFYYXST-DOOKAGJSSA-N 0 3 297.402 2.514 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000158003704 289967881 /nfs/dbraw/zinc/96/78/81/289967881.db2.gz SYWQFWSDWKVQMX-CHWSQXEVSA-N 0 3 268.364 2.684 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)cc1 ZINC000224768224 290022496 /nfs/dbraw/zinc/02/24/96/290022496.db2.gz VVOUEMXZBUZXNP-IUIKQTSFSA-N 0 3 256.349 2.776 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000562624875 290060497 /nfs/dbraw/zinc/06/04/97/290060497.db2.gz PEASVTHGCYRSPT-INIZCTEOSA-N 0 3 298.390 2.569 20 30 CFEDHN N#Cc1cccc(CCNCc2ccc3c(n2)CCC3)c1 ZINC000563117789 290104734 /nfs/dbraw/zinc/10/47/34/290104734.db2.gz AMBKBVXTIQQJHG-UHFFFAOYSA-N 0 3 277.371 2.774 20 30 CFEDHN N#Cc1cncc(N[C@@H](CN2CCCC2)c2ccccc2)n1 ZINC000563832690 290177727 /nfs/dbraw/zinc/17/77/27/290177727.db2.gz HYRZURCACYGDRZ-INIZCTEOSA-N 0 3 293.374 2.597 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCOC3(CCCC3)C2)n1 ZINC000564411719 290208060 /nfs/dbraw/zinc/20/80/60/290208060.db2.gz XBEAWMYDPZWQRW-NSHDSACASA-N 0 3 277.393 2.596 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cccc(C#N)c1 ZINC000564843755 290239027 /nfs/dbraw/zinc/23/90/27/290239027.db2.gz FRSNEKRNYVAACV-KDOFPFPSSA-N 0 3 280.371 2.812 20 30 CFEDHN Cc1ncc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1C ZINC000565242722 290288146 /nfs/dbraw/zinc/28/81/46/290288146.db2.gz RFCQUNMVSQXWEQ-QGZVFWFLSA-N 0 3 280.375 2.767 20 30 CFEDHN CCC[C@H](C)CN1CCN(c2cnccc2C#N)CC1 ZINC000565517384 290306157 /nfs/dbraw/zinc/30/61/57/290306157.db2.gz YHWHUDHULSXQJL-AWEZNQCLSA-N 0 3 272.396 2.511 20 30 CFEDHN CCC[C@@H](C)CN1CCN(c2cnccc2C#N)CC1 ZINC000565517385 290306205 /nfs/dbraw/zinc/30/62/05/290306205.db2.gz YHWHUDHULSXQJL-CQSZACIVSA-N 0 3 272.396 2.511 20 30 CFEDHN C[C@@H](CO)N(Cc1ccc(C#N)s1)C1CCCC1 ZINC000565548118 290309051 /nfs/dbraw/zinc/30/90/51/290309051.db2.gz FWKKNTDPNPCWGQ-NSHDSACASA-N 0 3 264.394 2.745 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567903562 290503594 /nfs/dbraw/zinc/50/35/94/290503594.db2.gz XJTXLPXBGJGKEE-ZFWWWQNUSA-N 0 3 289.335 2.514 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000568125976 290525647 /nfs/dbraw/zinc/52/56/47/290525647.db2.gz YPCLQYOSFDPWMB-GFOFROLCSA-N 0 3 297.402 2.688 20 30 CFEDHN Cc1ccnc(N2CCN(C3CCC3)C[C@@H](C)C2)c1C#N ZINC000292153090 302272445 /nfs/dbraw/zinc/27/24/45/302272445.db2.gz CLKYLOGUPKTPDN-CYBMUJFWSA-N 0 3 284.407 2.572 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001085484743 782076937 /nfs/dbraw/zinc/07/69/37/782076937.db2.gz KJOIXGFDFMLHCI-AWEZNQCLSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCCCCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000582132410 327803009 /nfs/dbraw/zinc/80/30/09/327803009.db2.gz LQIIPEQEIUFUBJ-OAHLLOKOSA-N 0 3 260.381 2.939 20 30 CFEDHN C=CCC1(NC(=O)CN2CC[C@@H](C)C2)CCCCC1 ZINC000563408879 328064102 /nfs/dbraw/zinc/06/41/02/328064102.db2.gz UTVYDXRYSAUQCH-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@@H](NCCCC#N)c1cncc(Br)c1 ZINC000563445049 328067312 /nfs/dbraw/zinc/06/73/12/328067312.db2.gz WBNDBHAOWBSYQI-SECBINFHSA-N 0 3 268.158 2.798 20 30 CFEDHN C=CCN(CCOC[C@@H]1CCCO1)CCc1ccccc1 ZINC000152199062 328079398 /nfs/dbraw/zinc/07/93/98/328079398.db2.gz HMCZOVLSSNCCCO-SFHVURJKSA-N 0 3 289.419 2.913 20 30 CFEDHN C[C@H](NCC1=CCCOC1)c1ccc(OCC#N)cc1 ZINC000269305865 328082426 /nfs/dbraw/zinc/08/24/26/328082426.db2.gz UDVNJAYULBSEKO-ZDUSSCGKSA-N 0 3 272.348 2.586 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@H]2OCC)cc1OC ZINC000571148764 328088242 /nfs/dbraw/zinc/08/82/42/328088242.db2.gz QWIJTDBRYKJJPI-DZGCQCFKSA-N 0 3 277.364 2.527 20 30 CFEDHN C=CCCCC[C@H](C)NCc1ccnc(N(C)C)n1 ZINC000571240322 328094989 /nfs/dbraw/zinc/09/49/89/328094989.db2.gz MRFGHDJYBQCWLI-ZDUSSCGKSA-N 0 3 262.401 2.767 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412316385 328108530 /nfs/dbraw/zinc/10/85/30/328108530.db2.gz MUWHDIGRIAENHR-QGZVFWFLSA-N 0 3 278.440 2.923 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCOC2(CCCC2)C1 ZINC000571614969 328138054 /nfs/dbraw/zinc/13/80/54/328138054.db2.gz ULACEYIBBUYAFD-ZIAGYGMSSA-N 0 3 261.369 2.511 20 30 CFEDHN N#CCCCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000266243583 328168554 /nfs/dbraw/zinc/16/85/54/328168554.db2.gz XUJCUGCCLLLPMG-UHFFFAOYSA-N 0 3 298.289 2.800 20 30 CFEDHN C[C@@H](O)CCN(C)Cc1ccccc1C(C)(C)C#N ZINC000268988351 328188294 /nfs/dbraw/zinc/18/82/94/328188294.db2.gz RDWDDNMFSNSOSG-CYBMUJFWSA-N 0 3 260.381 2.690 20 30 CFEDHN CC(C)(C#N)CCCN1CCCN(CC(F)(F)F)CC1 ZINC000174869812 329164218 /nfs/dbraw/zinc/16/42/18/329164218.db2.gz XKCMXKPHPKEWMC-UHFFFAOYSA-N 0 3 291.361 2.886 20 30 CFEDHN COc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C2 ZINC000274228520 328210019 /nfs/dbraw/zinc/21/00/19/328210019.db2.gz RZFJVIJVJHKZFB-NWANDNLSSA-N 0 3 286.375 2.671 20 30 CFEDHN CCCCCCCCCN1CCc2n[nH]c(=O)cc2C1 ZINC000276938360 328220494 /nfs/dbraw/zinc/22/04/94/328220494.db2.gz JPUKNAWHRXKFEV-UHFFFAOYSA-N 0 3 277.412 2.879 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2ccc(F)cc2)C1 ZINC000278795797 328230403 /nfs/dbraw/zinc/23/04/03/328230403.db2.gz QVOBUNATUBDPFW-DFBGVHRSSA-N 0 3 262.328 2.531 20 30 CFEDHN C[C@H](c1ccc(F)cc1)N(C)CCOCCC#N ZINC000293415019 328275707 /nfs/dbraw/zinc/27/57/07/328275707.db2.gz IITZHJOBMRULEZ-GFCCVEGCSA-N 0 3 250.317 2.749 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000292941377 328273930 /nfs/dbraw/zinc/27/39/30/328273930.db2.gz AZEODTUJNYPDQR-HNNXBMFYSA-N 0 3 262.328 2.893 20 30 CFEDHN C[C@H](NCCOCCC#N)c1cccc(N2CCCC2)c1 ZINC000294760018 328282943 /nfs/dbraw/zinc/28/29/43/328282943.db2.gz YHGWNGLHJOOPPB-HNNXBMFYSA-N 0 3 287.407 2.868 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000298337577 328295780 /nfs/dbraw/zinc/29/57/80/328295780.db2.gz BHMJBFGBAGBDQU-RHSMWYFYSA-N 0 3 290.382 2.745 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@H]2CCCO[C@@H]21 ZINC000162678363 322367654 /nfs/dbraw/zinc/36/76/54/322367654.db2.gz PLWDPBXRNXGYSX-BMFZPTHFSA-N 0 3 288.366 2.991 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(Cl)c(OC)c(OC)c1 ZINC000341268379 328405776 /nfs/dbraw/zinc/40/57/76/328405776.db2.gz UDYVTBNABVRDCK-LLVKDONJSA-N 0 3 299.798 2.631 20 30 CFEDHN C[C@@H]1C[C@H]1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000334266102 328421326 /nfs/dbraw/zinc/42/13/26/328421326.db2.gz YTCAROWWLFNERR-KGLIPLIRSA-N 0 3 255.365 2.595 20 30 CFEDHN C[C@H](NCC1(CO)CCCC1)c1ccc(C#N)c(F)c1 ZINC000349419311 324173610 /nfs/dbraw/zinc/17/36/10/324173610.db2.gz CGWOINWWUHPEBN-LBPRGKRZSA-N 0 3 276.355 2.901 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCCC2)c(F)c1 ZINC000395210687 324540268 /nfs/dbraw/zinc/54/02/68/324540268.db2.gz PYSZOGJXRQPUMB-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCCCNC1=O ZINC000578710093 324880156 /nfs/dbraw/zinc/88/01/56/324880156.db2.gz FVBKBRDUGWNZQU-IRXDYDNUSA-N 0 3 297.402 2.584 20 30 CFEDHN C=CCNC(=O)CN(CC(C)(C)C)CC(C)(C)C ZINC000182080587 328506317 /nfs/dbraw/zinc/50/63/17/328506317.db2.gz QTSGFUIIZIHEBD-UHFFFAOYSA-N 0 3 254.418 2.683 20 30 CFEDHN CC(C)C[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580193048 325014790 /nfs/dbraw/zinc/01/47/90/325014790.db2.gz BWJSXIHTGPCOKO-CQSZACIVSA-N 0 3 297.406 2.859 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2cc(C#N)cs2)C1 ZINC000580602260 325049941 /nfs/dbraw/zinc/04/99/41/325049941.db2.gz CPIFIRVFNZNZNC-AWEZNQCLSA-N 0 3 264.394 2.604 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000581014441 325082832 /nfs/dbraw/zinc/08/28/32/325082832.db2.gz WCFNGLPTUUTANQ-UKRRQHHQSA-N 0 3 289.335 2.514 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)nc1 ZINC000582369035 325199975 /nfs/dbraw/zinc/19/99/75/325199975.db2.gz YPHSYWBFUHUORW-QGZVFWFLSA-N 0 3 297.402 2.734 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000583061253 325257192 /nfs/dbraw/zinc/25/71/92/325257192.db2.gz QIWXDXBWZNRNKT-NVXWUHKLSA-N 0 3 298.434 2.902 20 30 CFEDHN COCCOc1cc(C)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442770270 328539510 /nfs/dbraw/zinc/53/95/10/328539510.db2.gz RKXNJPISFDDTNS-GOEBONIOSA-N 0 3 288.391 2.802 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)CC(C)(C)O ZINC000395027927 328590413 /nfs/dbraw/zinc/59/04/13/328590413.db2.gz GFKUJBSBEZWBEP-CYBMUJFWSA-N 0 3 263.381 2.891 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CC[C@@H]2CCCO2)CC1 ZINC000558627711 327111050 /nfs/dbraw/zinc/11/10/50/327111050.db2.gz SKQMUFADLQQWGR-HNNXBMFYSA-N 0 3 285.391 2.508 20 30 CFEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1ncc[nH]1 ZINC000569347639 327120841 /nfs/dbraw/zinc/12/08/41/327120841.db2.gz KFYNYICDXNNNQF-CQSZACIVSA-N 0 3 296.374 2.534 20 30 CFEDHN COc1ccc(OCCN(C)CCCSCC#N)cc1 ZINC000074981325 327122877 /nfs/dbraw/zinc/12/28/77/327122877.db2.gz JDONHZZIDYVOGY-UHFFFAOYSA-N 0 3 294.420 2.653 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@]2(CCSC2)C1 ZINC000572598893 327172648 /nfs/dbraw/zinc/17/26/48/327172648.db2.gz CZHWKJDAEYFIGM-KBPBESRZSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@@]2(CCSC2)C1 ZINC000572598894 327172657 /nfs/dbraw/zinc/17/26/57/327172657.db2.gz CZHWKJDAEYFIGM-KGLIPLIRSA-N 0 3 255.427 2.939 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2CO[C@H](C)C2)ccc1OC ZINC000564655830 327196253 /nfs/dbraw/zinc/19/62/53/327196253.db2.gz MGWIRBOEFGYALO-HIFRSBDPSA-N 0 3 291.391 2.917 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCCN(C)Cc1ccccc1 ZINC000065541757 327220292 /nfs/dbraw/zinc/22/02/92/327220292.db2.gz QVDIKJYIQPDZKH-UHFFFAOYSA-N 0 3 289.423 2.726 20 30 CFEDHN COC(=O)CCN(CC#Cc1cccc(Cl)c1)C(C)C ZINC000152139064 327247139 /nfs/dbraw/zinc/24/71/39/327247139.db2.gz XNNSFSHAXKMDIZ-UHFFFAOYSA-N 0 3 293.794 2.965 20 30 CFEDHN CC(=O)N1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2C1 ZINC000583435257 327362070 /nfs/dbraw/zinc/36/20/70/327362070.db2.gz GCSKTJRVZUOARS-LESCRADOSA-N 0 3 297.402 2.762 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@](O)(CC)C2)c1 ZINC000428450206 327374577 /nfs/dbraw/zinc/37/45/77/327374577.db2.gz VBSYASGHRWGTRY-MRXNPFEDSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1cc(OC)ncn1)C(C)C ZINC000427508433 327387732 /nfs/dbraw/zinc/38/77/32/327387732.db2.gz BBORBJBOPXTDAE-CQSZACIVSA-N 0 3 290.411 2.596 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CCC2CC2)CC1 ZINC000569744464 327544667 /nfs/dbraw/zinc/54/46/67/327544667.db2.gz PSIYPIXMZBNONL-UHFFFAOYSA-N 0 3 255.365 2.739 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCN(c2ccccc2)C1 ZINC000567679190 327569262 /nfs/dbraw/zinc/56/92/62/327569262.db2.gz OKQKHVGHTKKPFH-JKSUJKDBSA-N 0 3 282.391 2.546 20 30 CFEDHN CC#CCCNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000360968230 328913494 /nfs/dbraw/zinc/91/34/94/328913494.db2.gz HYRCRSPFNACCIE-QGZVFWFLSA-N 0 3 273.376 2.747 20 30 CFEDHN C#CCSCCN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000371694516 328957847 /nfs/dbraw/zinc/95/78/47/328957847.db2.gz UBPPPERJUVJKKB-CYBMUJFWSA-N 0 3 292.379 2.555 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000377397304 329013994 /nfs/dbraw/zinc/01/39/94/329013994.db2.gz JBFNBWPZZCLGKI-JFIYKMOQSA-N 0 3 299.418 2.660 20 30 CFEDHN C#Cc1ccc(CNCc2cccnc2-n2ccnc2)cc1 ZINC000377551013 329018667 /nfs/dbraw/zinc/01/86/67/329018667.db2.gz UFUXLRAXQPCAMC-UHFFFAOYSA-N 0 3 288.354 2.538 20 30 CFEDHN C#Cc1ccc(CN2CCC(c3noc(C)n3)CC2)cc1 ZINC000377659917 329023275 /nfs/dbraw/zinc/02/32/75/329023275.db2.gz RJJDYQFPDMEVMU-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN C#C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)C(C)C ZINC000377702830 329025620 /nfs/dbraw/zinc/02/56/20/329025620.db2.gz POXJJYBDWXMDEN-QGZVFWFLSA-N 0 3 267.376 2.835 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000377733637 329027433 /nfs/dbraw/zinc/02/74/33/329027433.db2.gz XMPRIPKMRCXHEB-HNNXBMFYSA-N 0 3 270.392 2.624 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000378315098 329045787 /nfs/dbraw/zinc/04/57/87/329045787.db2.gz OXXUHSPFERROTD-DQYPLSBCSA-N 0 3 286.375 2.635 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000171696199 329078462 /nfs/dbraw/zinc/07/84/62/329078462.db2.gz HTDUASFGIPNDRN-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCC(C)C)CC1 ZINC000171695917 329078631 /nfs/dbraw/zinc/07/86/31/329078631.db2.gz GLRGTRQXULHLHX-CQSZACIVSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000171696151 329078722 /nfs/dbraw/zinc/07/87/22/329078722.db2.gz ILKZNDALEAHGFX-SQWLQELKSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000172265006 329084400 /nfs/dbraw/zinc/08/44/00/329084400.db2.gz QBHFPSUJCCAZFG-LZWOXQAQSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCC1(CNC(=O)N2CCCN(CC)CC2)CCCC1 ZINC000459047067 329136949 /nfs/dbraw/zinc/13/69/49/329136949.db2.gz HNAIMQUZXZBVKR-UHFFFAOYSA-N 0 3 293.455 2.860 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC3(CCCC3)C2)CC1 ZINC000173198314 329143414 /nfs/dbraw/zinc/14/34/14/329143414.db2.gz IMJKCTJNVBKALZ-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418338058 329161012 /nfs/dbraw/zinc/16/10/12/329161012.db2.gz YUOJGCRLEQDLIH-OAHLLOKOSA-N 0 3 275.396 2.637 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)CC[C@H]2C)CC1 ZINC000176499067 329175951 /nfs/dbraw/zinc/17/59/51/329175951.db2.gz DXWTTYLGXWONCQ-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN Clc1ccc(C#CCN2CCCN(C3CC3)CC2)cc1 ZINC000177177241 329181380 /nfs/dbraw/zinc/18/13/80/329181380.db2.gz XNPLLKFGQDAECM-UHFFFAOYSA-N 0 3 288.822 2.862 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177542452 329185427 /nfs/dbraw/zinc/18/54/27/329185427.db2.gz XUUZTYXOWCUSQZ-DOTOQJQBSA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H]1CC ZINC000429270385 329195781 /nfs/dbraw/zinc/19/57/81/329195781.db2.gz FZFLPDKBUDRYBE-JKSUJKDBSA-N 0 3 275.392 2.639 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H]1CC ZINC000429270378 329195912 /nfs/dbraw/zinc/19/59/12/329195912.db2.gz FZFLPDKBUDRYBE-CVEARBPZSA-N 0 3 275.392 2.639 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000181050863 329225582 /nfs/dbraw/zinc/22/55/82/329225582.db2.gz JDFRAXMDESTVPA-CYBMUJFWSA-N 0 3 277.364 2.635 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(C2CC2)CC1 ZINC000181116530 329226399 /nfs/dbraw/zinc/22/63/99/329226399.db2.gz OBAIHGHOOHQLFK-AWEZNQCLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1ccccc1Cl ZINC000181246270 329227514 /nfs/dbraw/zinc/22/75/14/329227514.db2.gz HSEROTLRMQZYQX-LBPRGKRZSA-N 0 3 269.772 2.588 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC2CCC(F)(F)CC2)C1=O ZINC000459440167 329249743 /nfs/dbraw/zinc/24/97/43/329249743.db2.gz WZELUHDHXOUMIN-ZDUSSCGKSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(F)cc(Cl)c1 ZINC000321087524 329257481 /nfs/dbraw/zinc/25/74/81/329257481.db2.gz CTKQTHANRHHANB-CYBMUJFWSA-N 0 3 257.736 2.896 20 30 CFEDHN C=CCNC(=O)CNc1c(C)cnc2c(C)cccc21 ZINC000185369813 329271365 /nfs/dbraw/zinc/27/13/65/329271365.db2.gz ZIQCJWRUZLXGQP-UHFFFAOYSA-N 0 3 269.348 2.566 20 30 CFEDHN CC(C)(C#N)CCCN1CCSC2(CCOCC2)C1 ZINC000186824450 329349430 /nfs/dbraw/zinc/34/94/30/329349430.db2.gz MXUAKQMMGGXRTC-UHFFFAOYSA-N 0 3 282.453 2.914 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000187800400 329360710 /nfs/dbraw/zinc/36/07/10/329360710.db2.gz WEYSIELWCWTXSW-GASCZTMLSA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N1CCCC1 ZINC000530368861 329363257 /nfs/dbraw/zinc/36/32/57/329363257.db2.gz PQZSAUKFBHZKRK-WBVHZDCISA-N 0 3 299.418 2.674 20 30 CFEDHN CC[C@H](CC#N)NCCCc1ccc2c(c1)CCO2 ZINC000193314574 329440156 /nfs/dbraw/zinc/44/01/56/329440156.db2.gz XPKANDSZOVVUQF-OAHLLOKOSA-N 0 3 258.365 2.836 20 30 CFEDHN CS[C@@H](C)CNC1CC(C#N)(c2ccccc2)C1 ZINC000136165953 329670982 /nfs/dbraw/zinc/67/09/82/329670982.db2.gz FTFZBBGQDWMIIG-GRTSSRMGSA-N 0 3 260.406 2.951 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](CC)CC#N)C[C@@H]1C ZINC000248396981 329892308 /nfs/dbraw/zinc/89/23/08/329892308.db2.gz QYPZVCLICVWPEN-RFQIPJPRSA-N 0 3 266.385 2.636 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336808995 330058581 /nfs/dbraw/zinc/05/85/81/330058581.db2.gz DKOHKYGLTKCDFE-LBPRGKRZSA-N 0 3 278.318 2.706 20 30 CFEDHN C=CCCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269668814 330070241 /nfs/dbraw/zinc/07/02/41/330070241.db2.gz TXGNAWWCIYVSHJ-CQSZACIVSA-N 0 3 264.325 2.526 20 30 CFEDHN C[C@@H](O)[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272485444 330085686 /nfs/dbraw/zinc/08/56/86/330085686.db2.gz BNTFCZZFLFILIR-TZMCWYRMSA-N 0 3 297.320 2.760 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000580435280 330133452 /nfs/dbraw/zinc/13/34/52/330133452.db2.gz RNCBKUAYMDMJNZ-ZWKOTPCHSA-N 0 3 296.418 2.684 20 30 CFEDHN C=CC[C@H](C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423217909 330179192 /nfs/dbraw/zinc/17/91/92/330179192.db2.gz SRJBLYKPESMFGR-JSGCOSHPSA-N 0 3 260.381 2.793 20 30 CFEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424064406 330219037 /nfs/dbraw/zinc/21/90/37/330219037.db2.gz JWPOBPPOBRTIDF-GJZGRUSLSA-N 0 3 273.380 2.521 20 30 CFEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424069063 330219686 /nfs/dbraw/zinc/21/96/86/330219686.db2.gz OLGDUUFXEYLHPW-IINYFYTJSA-N 0 3 295.333 2.505 20 30 CFEDHN CCCCN(C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424073039 330220255 /nfs/dbraw/zinc/22/02/55/330220255.db2.gz DWTGRKMOXBZWNH-OAHLLOKOSA-N 0 3 273.380 2.841 20 30 CFEDHN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424084272 330222618 /nfs/dbraw/zinc/22/26/18/330222618.db2.gz NZRWHNHWYUZIGB-GXTWGEPZSA-N 0 3 299.374 2.973 20 30 CFEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCc2ccccc21 ZINC000424085492 330223030 /nfs/dbraw/zinc/22/30/30/330223030.db2.gz FUYXSAKLOKEGQJ-IAGOWNOFSA-N 0 3 299.418 2.934 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000424086501 330223581 /nfs/dbraw/zinc/22/35/81/330223581.db2.gz CCWJCHBRQKRMNY-SWLSCSKDSA-N 0 3 291.370 2.756 20 30 CFEDHN Cc1ccccc1[C@@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424082602 330223766 /nfs/dbraw/zinc/22/37/66/330223766.db2.gz AFJYBSDEPXLJGW-HIFRSBDPSA-N 0 3 273.380 2.536 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NCc1csc2ccccc12 ZINC000424082000 330223787 /nfs/dbraw/zinc/22/37/87/330223787.db2.gz AZIDEUAXTZFVDE-ZDUSSCGKSA-N 0 3 287.388 2.539 20 30 CFEDHN CCCc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424089933 330224631 /nfs/dbraw/zinc/22/46/31/330224631.db2.gz WXTBZMBGQRVAKN-ZDUSSCGKSA-N 0 3 259.353 2.599 20 30 CFEDHN CC[C@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCC#N ZINC000424091725 330225410 /nfs/dbraw/zinc/22/54/10/330225410.db2.gz FDWQRUNCLUVFSI-OLZOCXBDSA-N 0 3 291.420 2.605 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000424108287 330234857 /nfs/dbraw/zinc/23/48/57/330234857.db2.gz QHPHFZQHZKREEP-ULQDDVLXSA-N 0 3 299.418 2.850 20 30 CFEDHN CSCCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424110499 330237371 /nfs/dbraw/zinc/23/73/71/330237371.db2.gz CZMPXUZAPNJLCV-CQSZACIVSA-N 0 3 291.420 2.552 20 30 CFEDHN CSCCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424110494 330237469 /nfs/dbraw/zinc/23/74/69/330237469.db2.gz CZMPXUZAPNJLCV-AWEZNQCLSA-N 0 3 291.420 2.552 20 30 CFEDHN COc1ccc([C@H](C)[C@@H](C)NC[C@@H](C)C#N)cc1OC ZINC000527235419 330239913 /nfs/dbraw/zinc/23/99/13/330239913.db2.gz HAUBSOFJXRNIMH-YNEHKIRRSA-N 0 3 276.380 2.945 20 30 CFEDHN Cc1cccc(OC(F)F)c1NC(=O)[C@H](N)CCCC#N ZINC000424114649 330242874 /nfs/dbraw/zinc/24/28/74/330242874.db2.gz RRFYLHQLVWDZGW-SNVBAGLBSA-N 0 3 297.305 2.556 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000424115312 330243220 /nfs/dbraw/zinc/24/32/20/330243220.db2.gz ACIYGQUGDTXOAB-LBPRGKRZSA-N 0 3 299.296 2.751 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N(CC1CC1)C1CCCCC1 ZINC000424116557 330243430 /nfs/dbraw/zinc/24/34/30/330243430.db2.gz XMADLCRRXPOLRN-OAHLLOKOSA-N 0 3 277.412 2.579 20 30 CFEDHN CCCOc1cc(F)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424117173 330243703 /nfs/dbraw/zinc/24/37/03/330243703.db2.gz BDWCMVBCFHPIDG-LBPRGKRZSA-N 0 3 293.342 2.574 20 30 CFEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1OC(C)C ZINC000424120045 330247889 /nfs/dbraw/zinc/24/78/89/330247889.db2.gz GMENHECKBACHDN-AWEZNQCLSA-N 0 3 289.379 2.742 20 30 CFEDHN C[C@]1(CN[C@@H]2CCC[C@H](C#N)C2)COc2ccccc2O1 ZINC000527934083 330297806 /nfs/dbraw/zinc/29/78/06/330297806.db2.gz OBNSICGTTMUOSL-VBQJREDUSA-N 0 3 286.375 2.888 20 30 CFEDHN COc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)C2CC2)cn1 ZINC000528041910 330305750 /nfs/dbraw/zinc/30/57/50/330305750.db2.gz AVLUFBHFXARGFP-HZUKXOBISA-N 0 3 271.364 2.823 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000424167037 330309399 /nfs/dbraw/zinc/30/93/99/330309399.db2.gz DHSBKBXITHGHCT-OBJOEFQTSA-N 0 3 292.448 2.949 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000424170962 330311048 /nfs/dbraw/zinc/31/10/48/330311048.db2.gz LQUHYOMUWDDQMA-IKGGRYGDSA-N 0 3 299.418 2.535 20 30 CFEDHN CCCN(CCc1cccs1)C(=O)[C@H](N)CCCC#N ZINC000424170903 330311079 /nfs/dbraw/zinc/31/10/79/330311079.db2.gz LGGRMQKVSPRIGA-CQSZACIVSA-N 0 3 293.436 2.550 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H](C(C)C)C2)nn1 ZINC000424176650 330316878 /nfs/dbraw/zinc/31/68/78/330316878.db2.gz YGNAAPSPZXMKOI-KBPBESRZSA-N 0 3 262.401 2.769 20 30 CFEDHN CCC1(CC)CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424189819 330322821 /nfs/dbraw/zinc/32/28/21/330322821.db2.gz NZRBXVSSLYHHSE-AWEZNQCLSA-N 0 3 279.428 2.826 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2c2ccccc2)nn1 ZINC000424293785 330335439 /nfs/dbraw/zinc/33/54/39/330335439.db2.gz JHLDJWHXHFTKGW-DLBZAZTESA-N 0 3 282.391 2.890 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ccccc1)c1cncnc1 ZINC000424294571 330335767 /nfs/dbraw/zinc/33/57/67/330335767.db2.gz KYDMYXZPFQILFV-SZMVWBNQSA-N 0 3 295.386 2.747 20 30 CFEDHN C=CCN(C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000121211961 330397698 /nfs/dbraw/zinc/39/76/98/330397698.db2.gz WUTOWFLQQUAQEC-GFCCVEGCSA-N 0 3 273.298 2.727 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(C)cc1OC ZINC000537092043 330398386 /nfs/dbraw/zinc/39/83/86/330398386.db2.gz FRSKNMDZMMMIHH-ZIAGYGMSSA-N 0 3 263.381 2.839 20 30 CFEDHN C=CCN(C)CCOc1cccc(Br)c1 ZINC000121254767 330398582 /nfs/dbraw/zinc/39/85/82/330398582.db2.gz RTZSWVPNIITNLW-UHFFFAOYSA-N 0 3 270.170 2.946 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000121299856 330399389 /nfs/dbraw/zinc/39/93/89/330399389.db2.gz CSUHEDQYGOSNND-NSHDSACASA-N 0 3 290.190 2.851 20 30 CFEDHN C=CCOc1ccc(CN[C@H](COC)[C@H]2CCCO2)cc1 ZINC000433183735 330619204 /nfs/dbraw/zinc/61/92/04/330619204.db2.gz VLVRJRKTQOHZRA-IAGOWNOFSA-N 0 3 291.391 2.535 20 30 CFEDHN COc1ccccc1[C@H](CN[C@H]1CC[C@@H](C#N)C1)N(C)C ZINC000442633307 330777632 /nfs/dbraw/zinc/77/76/32/330777632.db2.gz INJDFDQAAZMPCU-YCPHGPKFSA-N 0 3 287.407 2.580 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000442710275 330780115 /nfs/dbraw/zinc/78/01/15/330780115.db2.gz CDOSSJXSUJXBHE-HOCLYGCPSA-N 0 3 284.407 2.854 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CCCO)c2ccccc2)C1 ZINC000442765898 330781569 /nfs/dbraw/zinc/78/15/69/330781569.db2.gz KBMKOELQSIWNSC-BMFZPTHFSA-N 0 3 258.365 2.782 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccccc2-n2ccnc2)C1 ZINC000442782244 330782615 /nfs/dbraw/zinc/78/26/15/330782615.db2.gz KUDGMQRRWGJQIE-ZFWWWQNUSA-N 0 3 266.348 2.654 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000442796530 330784318 /nfs/dbraw/zinc/78/43/18/330784318.db2.gz UAQIEAVAUCCIDD-GXTWGEPZSA-N 0 3 272.348 2.630 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C2CCC2)CC1 ZINC000448921565 330888339 /nfs/dbraw/zinc/88/83/39/330888339.db2.gz NSTMWEOTXYWBKR-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCC[C@H](C)N[C@H](C(N)=O)c1ccccc1 ZINC000449075821 330897381 /nfs/dbraw/zinc/89/73/81/330897381.db2.gz SCEYLDGBMDQPEW-ZFWWWQNUSA-N 0 3 260.381 2.938 20 30 CFEDHN C=C(CC)CNCc1ccc(Cl)cc1-n1cncn1 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/nfs/dbraw/zinc/00/33/77/332003377.db2.gz OPXQHEKZORWXDD-UHFFFAOYSA-N 0 3 297.402 2.666 20 30 CFEDHN C=CCn1cccc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000488882075 332031954 /nfs/dbraw/zinc/03/19/54/332031954.db2.gz PZLPUPSCQIQCJI-GASCZTMLSA-N 0 3 289.423 2.667 20 30 CFEDHN C=C(CNC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000488895920 332032687 /nfs/dbraw/zinc/03/26/87/332032687.db2.gz IHKYQJRPEYHPRK-GJZGRUSLSA-N 0 3 272.392 2.689 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccc(F)cc1 ZINC000489493951 332056358 /nfs/dbraw/zinc/05/63/58/332056358.db2.gz IKNYGSHQQCMKKJ-GJZGRUSLSA-N 0 3 279.355 2.606 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)CCC(C)(C)C)CC1 ZINC000490656051 332100520 /nfs/dbraw/zinc/10/05/20/332100520.db2.gz HAXLTBFSFLZKIR-CQSZACIVSA-N 0 3 278.440 2.663 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000490934553 332130638 /nfs/dbraw/zinc/13/06/38/332130638.db2.gz JGWRCTJFTVWKHZ-OLZOCXBDSA-N 0 3 278.421 2.563 20 30 CFEDHN C#C[C@H](C)N(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490986550 332136463 /nfs/dbraw/zinc/13/64/63/332136463.db2.gz UJXTXNXKVMDFHD-BBRMVZONSA-N 0 3 280.412 2.587 20 30 CFEDHN C#C[C@H](CC)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000491288959 332182280 /nfs/dbraw/zinc/18/22/80/332182280.db2.gz WBVZVIQIFIHZFZ-MRXNPFEDSA-N 0 3 284.403 2.813 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(C)cc1-c1cnn(C)c1 ZINC000491351296 332195453 /nfs/dbraw/zinc/19/54/53/332195453.db2.gz SSMFILNHFKHFBG-MRXNPFEDSA-N 0 3 267.376 2.897 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(C)cc1-c1ccnn1C ZINC000491405572 332206026 /nfs/dbraw/zinc/20/60/26/332206026.db2.gz JPQATQSVJKKENE-HNNXBMFYSA-N 0 3 267.376 2.897 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(C)cc1-c1ccnn1C ZINC000491405573 332206039 /nfs/dbraw/zinc/20/60/39/332206039.db2.gz JPQATQSVJKKENE-OAHLLOKOSA-N 0 3 267.376 2.897 20 30 CFEDHN C#CCN(C(=O)NC[C@H](N)c1ccccc1)C1CCCCC1 ZINC000491625291 332249243 /nfs/dbraw/zinc/24/92/43/332249243.db2.gz HTRXYRHVEATVMK-KRWDZBQOSA-N 0 3 299.418 2.664 20 30 CFEDHN C#CCN(CCC[C@H](C)O)[C@H]1CCc2ccccc21 ZINC000491626037 332249648 /nfs/dbraw/zinc/24/96/48/332249648.db2.gz LHGYIORAJZDYFB-YOEHRIQHSA-N 0 3 257.377 2.770 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(F)c2C)CC1 ZINC000491638475 332258851 /nfs/dbraw/zinc/25/88/51/332258851.db2.gz VPZYMLRKAXADTG-UHFFFAOYSA-N 0 3 292.329 2.557 20 30 CFEDHN C#C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000491668021 332276119 /nfs/dbraw/zinc/27/61/19/332276119.db2.gz LWLLDIDQRCTEMT-BJJXKVORSA-N 0 3 261.340 2.905 20 30 CFEDHN C#CCN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000491670479 332277723 /nfs/dbraw/zinc/27/77/23/332277723.db2.gz ZDXKFNNDJGMRKI-UHFFFAOYSA-N 0 3 296.414 2.910 20 30 CFEDHN C#CC(C)(C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000491712184 332303568 /nfs/dbraw/zinc/30/35/68/332303568.db2.gz WNGRMTLVPSWVBP-UHFFFAOYSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CC(C)(C)N(C)CCc1nc(-c2ccccc2)no1 ZINC000491714870 332305197 /nfs/dbraw/zinc/30/51/97/332305197.db2.gz OCCIREFFXHVKQA-UHFFFAOYSA-N 0 3 269.348 2.623 20 30 CFEDHN C#CCN1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491715360 332305377 /nfs/dbraw/zinc/30/53/77/332305377.db2.gz PLAMYWOKZWMNIQ-CABCVRRESA-N 0 3 292.423 2.731 20 30 CFEDHN C#C[C@@H](NCc1cccc(-n2cccn2)c1)C(C)C ZINC000491781751 332345772 /nfs/dbraw/zinc/34/57/72/332345772.db2.gz HCQCCHPOESJUBX-MRXNPFEDSA-N 0 3 253.349 2.620 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC(=O)CC)c(OCC)c1 ZINC000491803127 332357050 /nfs/dbraw/zinc/35/70/50/332357050.db2.gz IMKPKAOCIBSHHR-AWEZNQCLSA-N 0 3 289.375 2.902 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C/C(=C/C)CC)CC1 ZINC000492133460 332384143 /nfs/dbraw/zinc/38/41/43/332384143.db2.gz IKEFLRYKWHIPSJ-KNVGQEEKSA-N 0 3 274.408 2.503 20 30 CFEDHN C[C@H]1OCC[C@@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000494242325 332467975 /nfs/dbraw/zinc/46/79/75/332467975.db2.gz ROEMZMZMHKRDIB-IUODEOHRSA-N 0 3 263.768 2.849 20 30 CFEDHN Clc1ccccc1C#CCN[C@@H]1CCO[C@H]1C1CC1 ZINC000494447579 332473661 /nfs/dbraw/zinc/47/36/61/332473661.db2.gz SBKDKOPEEKCOKJ-CVEARBPZSA-N 0 3 275.779 2.849 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1CN(C)C(=O)O1)c1ccccc1 ZINC000495796807 332530552 /nfs/dbraw/zinc/53/05/52/332530552.db2.gz YMTSGOHYQMFDHK-HUUCEWRRSA-N 0 3 274.364 2.734 20 30 CFEDHN C=C(C)COCCNCc1ccc(OC)cc1CC ZINC000500406904 332607465 /nfs/dbraw/zinc/60/74/65/332607465.db2.gz VTDZGSNYFPPEAH-UHFFFAOYSA-N 0 3 263.381 2.940 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)C(C)C)CC1 ZINC000517324630 333097385 /nfs/dbraw/zinc/09/73/85/333097385.db2.gz ZIUYHQNYANFMLG-AWEZNQCLSA-N 0 3 281.444 2.713 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000517387745 333098621 /nfs/dbraw/zinc/09/86/21/333098621.db2.gz NKKDJDIWWLQXKT-FUHWJXTLSA-N 0 3 286.419 2.932 20 30 CFEDHN CC1(C)[C@H](O)C[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000189334637 333190518 /nfs/dbraw/zinc/19/05/18/333190518.db2.gz PUCFBEDYQPFUNI-JKSUJKDBSA-N 0 3 288.391 2.618 20 30 CFEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000189334592 333190753 /nfs/dbraw/zinc/19/07/53/333190753.db2.gz PUCFBEDYQPFUNI-HOTGVXAUSA-N 0 3 288.391 2.618 20 30 CFEDHN C=CCNC(=O)CN(C)C1CCC(CCC)CC1 ZINC000191424871 333219545 /nfs/dbraw/zinc/21/95/45/333219545.db2.gz YWQUMBXMSSCLLD-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C(C)C)CC2)c1 ZINC000192904921 333240205 /nfs/dbraw/zinc/24/02/05/333240205.db2.gz MELANTWRINHPIV-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN C#CCN(C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000193387875 333249208 /nfs/dbraw/zinc/24/92/08/333249208.db2.gz XEYAXNRNBLSAJL-UHFFFAOYSA-N 0 3 280.412 2.589 20 30 CFEDHN C=CCCCCCN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000193572119 333253437 /nfs/dbraw/zinc/25/34/37/333253437.db2.gz JVSPXPCJWGHLNI-HNNXBMFYSA-N 0 3 268.445 2.510 20 30 CFEDHN C=CCOc1ccccc1CNCC1(OC)CCC1 ZINC000227326372 333280875 /nfs/dbraw/zinc/28/08/75/333280875.db2.gz YWZCPWQBOCCBNI-UHFFFAOYSA-N 0 3 261.365 2.910 20 30 CFEDHN C=C[C@H](C)NCc1ccc(I)cc1 ZINC000229206910 333301899 /nfs/dbraw/zinc/30/18/99/333301899.db2.gz XHBXWJZWBMPFGQ-VIFPVBQESA-N 0 3 287.144 2.955 20 30 CFEDHN C#C[C@H](CC)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000229890793 333310983 /nfs/dbraw/zinc/31/09/83/333310983.db2.gz AOLZUJDHLDQPKX-LLVKDONJSA-N 0 3 267.756 2.859 20 30 CFEDHN CC[C@](C)(C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000127063006 333618523 /nfs/dbraw/zinc/61/85/23/333618523.db2.gz RPYDHOGEEOMBKT-QGZVFWFLSA-N 0 3 285.391 2.704 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000539051516 333651765 /nfs/dbraw/zinc/65/17/65/333651765.db2.gz LMLMSSONXLITLR-ZDUSSCGKSA-N 0 3 288.391 2.815 20 30 CFEDHN N#CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000541921295 333801177 /nfs/dbraw/zinc/80/11/77/333801177.db2.gz BSDWRBHHWIVLGD-UHFFFAOYSA-N 0 3 272.348 2.583 20 30 CFEDHN CC(C)(C)CCN1CCN(CCC(C)(C)C#N)CC1 ZINC000131243070 333912944 /nfs/dbraw/zinc/91/29/44/333912944.db2.gz LNACHHDDURCKOI-UHFFFAOYSA-N 0 3 265.445 2.980 20 30 CFEDHN C=CCCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932055 334007203 /nfs/dbraw/zinc/00/72/03/334007203.db2.gz BHLQWLDHEBULJT-LBPRGKRZSA-N 0 3 265.319 2.978 20 30 CFEDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)NC[C@@H](C)C#N ZINC000133038470 334014052 /nfs/dbraw/zinc/01/40/52/334014052.db2.gz VXIBHROOAWQLGQ-JSGCOSHPSA-N 0 3 276.380 2.774 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](CC(C)C)C1 ZINC000074995000 334022349 /nfs/dbraw/zinc/02/23/49/334022349.db2.gz AHVUAWYWJHIEIN-OAHLLOKOSA-N 0 3 264.413 2.555 20 30 CFEDHN C=C(C)COCCNCc1ccc(Oc2cnccn2)cc1 ZINC000134507657 334092594 /nfs/dbraw/zinc/09/25/94/334092594.db2.gz PACXXZMUQFIWLI-UHFFFAOYSA-N 0 3 299.374 2.951 20 30 CFEDHN C=C(C)COCCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000134505252 334092612 /nfs/dbraw/zinc/09/26/12/334092612.db2.gz HDNPIHCQSFJVTA-UHFFFAOYSA-N 0 3 289.354 2.694 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000134624303 334098055 /nfs/dbraw/zinc/09/80/55/334098055.db2.gz QZNOVDNQZGCRJP-ZBFHGGJFSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1nnc(C)s1)C(C)C ZINC000077487826 334106475 /nfs/dbraw/zinc/10/64/75/334106475.db2.gz LVUNMZOBXCGLCN-ZDUSSCGKSA-N 0 3 280.441 2.957 20 30 CFEDHN CC(C)CC[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000135318939 334125553 /nfs/dbraw/zinc/12/55/53/334125553.db2.gz QIJTVWWRAFAVAB-RDJZCZTQSA-N 0 3 293.455 2.941 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000135350445 334127178 /nfs/dbraw/zinc/12/71/78/334127178.db2.gz GIPOFCGUBOURMA-UXLLHSPISA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCN(CC=C)C(=O)c1ccc(CN(C)C)cc1 ZINC000082262509 334225138 /nfs/dbraw/zinc/22/51/38/334225138.db2.gz RETRNYYLYUXPTN-UHFFFAOYSA-N 0 3 258.365 2.562 20 30 CFEDHN CC(C)CC[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247020760 334274171 /nfs/dbraw/zinc/27/41/71/334274171.db2.gz QIJTVWWRAFAVAB-NVXWUHKLSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)CC(C)C ZINC000553362796 334380617 /nfs/dbraw/zinc/38/06/17/334380617.db2.gz MHYJRHZFMTVPNM-OAHLLOKOSA-N 0 3 283.460 2.960 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cncc(Br)c1 ZINC000566500614 334653116 /nfs/dbraw/zinc/65/31/16/334653116.db2.gz KMRAIVUOXMOGON-WQAKAFBOSA-N 0 3 297.196 2.838 20 30 CFEDHN CC(C)C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)CCO1 ZINC000567710277 334754372 /nfs/dbraw/zinc/75/43/72/334754372.db2.gz HXKQQULGILWRPS-RRFJBIMHSA-N 0 3 263.385 2.613 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[C@H]1C ZINC000342728366 335186138 /nfs/dbraw/zinc/18/61/38/335186138.db2.gz HJXDVIHTSSZBQE-CZUORRHYSA-N 0 3 258.365 2.609 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC[C@@H]1O ZINC000577756966 335398054 /nfs/dbraw/zinc/39/80/54/335398054.db2.gz FTTNMWBJWDPXNY-PBHICJAKSA-N 0 3 293.407 2.701 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000349400597 335463190 /nfs/dbraw/zinc/46/31/90/335463190.db2.gz DFGILLWSTYNITG-WDMOLILDSA-N 0 3 272.352 2.520 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCC#Cc1ccc(F)cc1 ZINC000578327116 335610785 /nfs/dbraw/zinc/61/07/85/335610785.db2.gz QWBYTKPWNDOYJG-XJKSGUPXSA-N 0 3 263.356 2.564 20 30 CFEDHN CCc1cc(CCCN2CCC(CC#N)CC2)on1 ZINC000578835007 335678754 /nfs/dbraw/zinc/67/87/54/335678754.db2.gz STSHLTFLONTTMP-UHFFFAOYSA-N 0 3 261.369 2.795 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000181423177 335761460 /nfs/dbraw/zinc/76/14/60/335761460.db2.gz DPIQIXYLRVNGAF-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN COc1ccccc1[C@H](CO)NC1CCC(C)(C#N)CC1 ZINC000581924677 336168756 /nfs/dbraw/zinc/16/87/56/336168756.db2.gz UXKYKXNSZMKUTI-GULBITTBSA-N 0 3 288.391 2.791 20 30 CFEDHN CC#CCN(CC)[C@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC001154953006 782098336 /nfs/dbraw/zinc/09/83/36/782098336.db2.gz UYDRCVLKNKSHIT-CQSZACIVSA-N 0 3 290.382 2.598 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636257 782121235 /nfs/dbraw/zinc/12/12/35/782121235.db2.gz MKURDIBYBFLXSB-AWEZNQCLSA-N 0 3 287.407 2.615 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085642014 782123138 /nfs/dbraw/zinc/12/31/38/782123138.db2.gz BNRCCBBDFHSRQA-ZDUSSCGKSA-N 0 3 294.345 2.687 20 30 CFEDHN CC[C@H](CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305810810 522145445 /nfs/dbraw/zinc/14/54/45/522145445.db2.gz JAUBJXZWACHURU-VXGBXAGGSA-N 0 3 264.344 2.757 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(C#N)CCC1 ZINC000332459834 533867144 /nfs/dbraw/zinc/86/71/44/533867144.db2.gz OUWCANNSWVPYGT-UHFFFAOYSA-N 0 3 271.364 2.689 20 30 CFEDHN COc1cc(CN[C@@H]2CCCC[C@H]2F)ccc1C#N ZINC000414516256 533896537 /nfs/dbraw/zinc/89/65/37/533896537.db2.gz WJSPECFYDDYSJT-ZIAGYGMSSA-N 0 3 262.328 2.937 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001085775494 782157840 /nfs/dbraw/zinc/15/78/40/782157840.db2.gz WQWWFLZVZQVNBG-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CC1=CCCOC1 ZINC000425366029 534079592 /nfs/dbraw/zinc/07/95/92/534079592.db2.gz OCEIQQYFKORPPV-ZDUSSCGKSA-N 0 3 256.349 2.898 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000345752507 534281571 /nfs/dbraw/zinc/28/15/71/534281571.db2.gz AVFDYOANUMVGMJ-LLVKDONJSA-N 0 3 280.755 2.727 20 30 CFEDHN CC(C#N)C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000344337331 534283129 /nfs/dbraw/zinc/28/31/29/534283129.db2.gz NTBBSEQXKOMTNB-MRVPVSSYSA-N 0 3 293.779 2.768 20 30 CFEDHN CC(C)C[C@H](CO)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192195232 519356730 /nfs/dbraw/zinc/35/67/30/519356730.db2.gz CWDIGTPARFDBQC-CQSZACIVSA-N 0 3 264.344 2.536 20 30 CFEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccccc1C#N ZINC000191645277 519426712 /nfs/dbraw/zinc/42/67/12/519426712.db2.gz KYIXBNCKIVDKNA-KRWDZBQOSA-N 0 3 272.392 2.931 20 30 CFEDHN CC(C)[C@H](CCO)NCc1ccc(Cl)cc1C#N ZINC000360255557 519813881 /nfs/dbraw/zinc/81/38/81/519813881.db2.gz BXRSCIZDHOEMNW-AWEZNQCLSA-N 0 3 266.772 2.708 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)c(F)c1)C(=O)OC ZINC000192126828 521443799 /nfs/dbraw/zinc/44/37/99/521443799.db2.gz PMNJYPWSKQEHIE-UHFFFAOYSA-N 0 3 292.354 2.766 20 30 CFEDHN CCCN(Cc1cc(C#N)n(C)c1)C[C@H]1CCCCO1 ZINC000191330296 521681323 /nfs/dbraw/zinc/68/13/23/521681323.db2.gz MUPFBEXBZQXWED-MRXNPFEDSA-N 0 3 275.396 2.678 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191545271 522310155 /nfs/dbraw/zinc/31/01/55/522310155.db2.gz NDSZDCRHYCZMAO-GOSISDBHSA-N 0 3 297.402 2.586 20 30 CFEDHN COc1cc(CNCc2ccc(C#N)cc2)ccc1C#N ZINC000234926261 522465213 /nfs/dbraw/zinc/46/52/13/522465213.db2.gz ZLUAMDFBIMADFH-UHFFFAOYSA-N 0 3 277.327 2.728 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(C#N)cs1 ZINC000084189142 523176589 /nfs/dbraw/zinc/17/65/89/523176589.db2.gz OSIGIWHQYRHGGX-CYBMUJFWSA-N 0 3 291.420 2.614 20 30 CFEDHN CN(Cc1ccc(C#N)cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000336159085 523212195 /nfs/dbraw/zinc/21/21/95/523212195.db2.gz CEGTYTZBOTWDOS-HDJSIYSDSA-N 0 3 278.783 2.947 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000361466807 523296671 /nfs/dbraw/zinc/29/66/71/523296671.db2.gz AHRCYZHRWORANT-QGZVFWFLSA-N 0 3 293.370 2.607 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000157284404 523527798 /nfs/dbraw/zinc/52/77/98/523527798.db2.gz YNDZHASXJVLRJQ-PBHICJAKSA-N 0 3 286.375 2.568 20 30 CFEDHN COCCOCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360655798 524011446 /nfs/dbraw/zinc/01/14/46/524011446.db2.gz DUYFDAJTLDNKKL-KRWDZBQOSA-N 0 3 288.391 2.578 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000300642586 524020826 /nfs/dbraw/zinc/02/08/26/524020826.db2.gz NVORLMOXDDBIAJ-KBPBESRZSA-N 0 3 262.328 2.600 20 30 CFEDHN C[C@H](CCCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305802841 524150037 /nfs/dbraw/zinc/15/00/37/524150037.db2.gz FEDMMPLPUVTGED-MNOVXSKESA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@H](C[S@](C)=O)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360882959 524684185 /nfs/dbraw/zinc/68/41/85/524684185.db2.gz HWOQGJAUUFNWBR-RRBXVBTKSA-N 0 3 290.432 2.682 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc(C#N)cn1 ZINC000274134632 525010869 /nfs/dbraw/zinc/01/08/69/525010869.db2.gz FWLUZVBSEZGUBU-RHSMWYFYSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000229413464 525221419 /nfs/dbraw/zinc/22/14/19/525221419.db2.gz NJBDKEWYYGEZQJ-MGPQQGTHSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000335188605 525267832 /nfs/dbraw/zinc/26/78/32/525267832.db2.gz DZNWXKLYMXEPDV-BXKDBHETSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358563284 525574410 /nfs/dbraw/zinc/57/44/10/525574410.db2.gz VRKRJFBCEZMYHO-NTZNESFSSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000245201246 525939597 /nfs/dbraw/zinc/93/95/97/525939597.db2.gz GPXQHIQWSHRJTQ-QLFBSQMISA-N 0 3 299.418 2.778 20 30 CFEDHN C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)n(C)c1 ZINC000364716583 526032633 /nfs/dbraw/zinc/03/26/33/526032633.db2.gz GVEWEVPSTZXXEJ-FZKQIMNGSA-N 0 3 295.386 2.721 20 30 CFEDHN C=CCN1CCC(N[C@H](CC)c2ccc(F)cn2)CC1 ZINC000352685003 526454892 /nfs/dbraw/zinc/45/48/92/526454892.db2.gz QSWZAROOFZBVER-OAHLLOKOSA-N 0 3 277.387 2.912 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCCCc2ccc(Cl)cc21 ZINC000347326577 526571185 /nfs/dbraw/zinc/57/11/85/526571185.db2.gz BVMOJVVYUMAQPS-OAHLLOKOSA-N 0 3 292.810 2.999 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(Cl)c2)CC1 ZINC000106038212 526601481 /nfs/dbraw/zinc/60/14/81/526601481.db2.gz DEQPZLDHIRGWLM-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@]3(CCOC3)C2)s1 ZINC000336224856 526614280 /nfs/dbraw/zinc/61/42/80/526614280.db2.gz JIRZNBHEFKXBJL-AWEZNQCLSA-N 0 3 262.378 2.622 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCS2)c(F)c1 ZINC000150013727 526622515 /nfs/dbraw/zinc/62/25/15/526622515.db2.gz FYGSQUBZVWQHRV-GFCCVEGCSA-N 0 3 250.342 2.683 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000334189526 526638094 /nfs/dbraw/zinc/63/80/94/526638094.db2.gz HPHRXOLWKZZQJS-OAHLLOKOSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCn1cccn1 ZINC000360662513 526690978 /nfs/dbraw/zinc/69/09/78/526690978.db2.gz GJYYOGNQMHHOQJ-KRWDZBQOSA-N 0 3 280.375 2.812 20 30 CFEDHN N#Cc1cccc(OCCN2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000363411727 526726994 /nfs/dbraw/zinc/72/69/94/526726994.db2.gz MCQJMGCMIOQVLR-IAGOWNOFSA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1cccnc1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195516067 526754207 /nfs/dbraw/zinc/75/42/07/526754207.db2.gz FBADEDHYOKLIRT-INIZCTEOSA-N 0 3 292.386 2.887 20 30 CFEDHN N#Cc1cnc2ccccc2c1NCCN1CCCC1 ZINC000054128686 526776615 /nfs/dbraw/zinc/77/66/15/526776615.db2.gz ZPJXWCWHHHBFPG-UHFFFAOYSA-N 0 3 266.348 2.614 20 30 CFEDHN C=C(CC)CN[C@@H](c1nnc2ccccn21)C(C)C ZINC000347686486 526860756 /nfs/dbraw/zinc/86/07/56/526860756.db2.gz SDWWICRYBFAJGF-CQSZACIVSA-N 0 3 258.369 2.982 20 30 CFEDHN C=CCOc1cccc(CNCCc2cc(C)no2)c1 ZINC000353090035 526903709 /nfs/dbraw/zinc/90/37/09/526903709.db2.gz TUWTWXSRPMODJW-UHFFFAOYSA-N 0 3 272.348 2.880 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](C(=O)OC)[C@H]1C ZINC000347313443 526933075 /nfs/dbraw/zinc/93/30/75/526933075.db2.gz PNNOKZSWBFZRHR-UKRRQHHQSA-N 0 3 289.375 2.635 20 30 CFEDHN C=CCC1(C(=O)N2CCN(C)CC[C@H]2C)CCCC1 ZINC000334647919 527043204 /nfs/dbraw/zinc/04/32/04/527043204.db2.gz WJOMCHBPQVNVQY-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000350828144 527046193 /nfs/dbraw/zinc/04/61/93/527046193.db2.gz KAIVRQNAKXHALQ-ZIAGYGMSSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000347624379 527152685 /nfs/dbraw/zinc/15/26/85/527152685.db2.gz NDDUIBLQAPAYSJ-ZNMIVQPWSA-N 0 3 281.444 2.903 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN(C)Cc1ccccc1 ZINC000347755543 527152787 /nfs/dbraw/zinc/15/27/87/527152787.db2.gz SHTUHRSKJOBDNW-INIZCTEOSA-N 0 3 289.423 2.772 20 30 CFEDHN C=CCCCN1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000344600328 527199567 /nfs/dbraw/zinc/19/95/67/527199567.db2.gz MEKDYFFNZLSDSR-UHFFFAOYSA-N 0 3 292.398 2.918 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H](OCC2CC2)C1 ZINC000347215865 527466779 /nfs/dbraw/zinc/46/67/79/527466779.db2.gz YOBUGACAMQTJHL-AWEZNQCLSA-N 0 3 250.386 2.817 20 30 CFEDHN CC(C)(C#N)CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332707017 527464580 /nfs/dbraw/zinc/46/45/80/527464580.db2.gz NTSALYYJXTYXBR-UHFFFAOYSA-N 0 3 288.351 2.678 20 30 CFEDHN C=CCC[C@H](NCC(C)(C)N1CCOCC1)c1ccco1 ZINC000356062679 527482688 /nfs/dbraw/zinc/48/26/88/527482688.db2.gz CXTFHGALRGHNOQ-HNNXBMFYSA-N 0 3 292.423 2.987 20 30 CFEDHN Cn1cncc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000335184840 527511016 /nfs/dbraw/zinc/51/10/16/527511016.db2.gz QMQNCCOGFQBTDX-QGZVFWFLSA-N 0 3 280.375 2.849 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000353573368 527595132 /nfs/dbraw/zinc/59/51/32/527595132.db2.gz HKLPZSSKSNDUSL-MWLCHTKSSA-N 0 3 275.270 2.783 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cc2c(s1)CCCC2 ZINC000353575301 527595242 /nfs/dbraw/zinc/59/52/42/527595242.db2.gz KPPLZFASUMEPDV-ZYHUDNBSSA-N 0 3 251.395 2.824 20 30 CFEDHN CC(C)OC(=O)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533823 527778763 /nfs/dbraw/zinc/77/87/63/527778763.db2.gz LHFLTGAMADOQKU-ZDUSSCGKSA-N 0 3 274.364 2.893 20 30 CFEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)O ZINC000352231199 527878511 /nfs/dbraw/zinc/87/85/11/527878511.db2.gz PXGVFDYCROSLDB-GFCCVEGCSA-N 0 3 285.309 2.760 20 30 CFEDHN CCCN(CCN1CCCCC1)c1ncc(C#N)cc1F ZINC000413281232 528082842 /nfs/dbraw/zinc/08/28/42/528082842.db2.gz MMUQIJPKHDDJED-UHFFFAOYSA-N 0 3 290.386 2.795 20 30 CFEDHN CC[C@@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000347627218 529331185 /nfs/dbraw/zinc/33/11/85/529331185.db2.gz TXTDXJISRDSBNV-HUUCEWRRSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C)c1nnc(CCNCc2ccc(C#N)cc2)s1 ZINC000492334900 534964687 /nfs/dbraw/zinc/96/46/87/534964687.db2.gz QMPWMFMDUNSSAQ-UHFFFAOYSA-N 0 3 286.404 2.865 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000457096684 535241068 /nfs/dbraw/zinc/24/10/68/535241068.db2.gz RJVHLPYIYQEEMH-YOEHRIQHSA-N 0 3 299.418 2.603 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000449579541 535544942 /nfs/dbraw/zinc/54/49/42/535544942.db2.gz HBGBKCMVXBPDDU-HIFRSBDPSA-N 0 3 290.338 2.519 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)c2cscc2C#N)c1 ZINC000432495787 536039914 /nfs/dbraw/zinc/03/99/14/536039914.db2.gz SWCYMJCEFSVDBB-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000453317728 536647955 /nfs/dbraw/zinc/64/79/55/536647955.db2.gz AMHHDSMURAYRIR-COLVAYQJSA-N 0 3 262.328 2.915 20 30 CFEDHN COc1cc(CN2CCC[C@@H]3COCC[C@H]32)ccc1C#N ZINC000442873937 536754646 /nfs/dbraw/zinc/75/46/46/536754646.db2.gz AIYOLLSLZADMKW-HZPDHXFCSA-N 0 3 286.375 2.568 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805558 782173397 /nfs/dbraw/zinc/17/33/97/782173397.db2.gz KQJPOLWYVLXBBW-GFCCVEGCSA-N 0 3 295.814 2.781 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001085847840 782183925 /nfs/dbraw/zinc/18/39/25/782183925.db2.gz MFAMEKJACRGEOG-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN COCC#CCN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000753863340 574051847 /nfs/dbraw/zinc/05/18/47/574051847.db2.gz SETMZGXBPXNUOJ-QGZVFWFLSA-N 0 3 272.392 2.539 20 30 CFEDHN CC1(c2ccccc2)CC(=NNC2=N[C@H]3CCCC[C@H]3N2)C1 ZINC000753928106 574055094 /nfs/dbraw/zinc/05/50/94/574055094.db2.gz IBTIGFNMXJIHBD-BYICEURKSA-N 0 3 296.418 2.954 20 30 CFEDHN Cc1ccccc1C(=NNC1=N[C@H]2CCCC[C@@H]2N1)C1CC1 ZINC000753934611 574056071 /nfs/dbraw/zinc/05/60/71/574056071.db2.gz IRLNENKIHFOHQP-HOTGVXAUSA-N 0 3 296.418 2.969 20 30 CFEDHN C[C@H]1CC(N=Nc2cnnc3ccccc23)CN1C1CC1 ZINC000753959453 574059620 /nfs/dbraw/zinc/05/96/20/574059620.db2.gz IVSKICKJPJYQEH-NSHDSACASA-N 0 3 281.363 2.654 20 30 CFEDHN C=CCN(C(=O)c1ccc(CN(C)C)cc1)C(C)C ZINC000727663826 574059795 /nfs/dbraw/zinc/05/97/95/574059795.db2.gz JNBGOLUOAYGJCJ-UHFFFAOYSA-N 0 3 260.381 2.785 20 30 CFEDHN C#CCN(C)CCCNc1cccc(C(F)F)c1C#N ZINC000491662522 574062294 /nfs/dbraw/zinc/06/22/94/574062294.db2.gz QHDTXNCHSDXXQP-UHFFFAOYSA-N 0 3 277.318 2.863 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000736669210 574064486 /nfs/dbraw/zinc/06/44/86/574064486.db2.gz ZGXRJROAONKNGR-AAEUAGOBSA-N 0 3 292.766 2.869 20 30 CFEDHN C[C@@H](NCc1ccnc(N(C)C)c1)c1ccc(C#N)cc1 ZINC000754132232 574076665 /nfs/dbraw/zinc/07/66/65/574076665.db2.gz AJZKVFSXEPWXFW-CYBMUJFWSA-N 0 3 280.375 2.870 20 30 CFEDHN C=CCN1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000731149734 574110550 /nfs/dbraw/zinc/11/05/50/574110550.db2.gz JTUDDTQRRLQLDE-UHFFFAOYSA-N 0 3 274.364 2.563 20 30 CFEDHN C[C@H](NCC(=O)NCCC#N)c1cc2ccccc2s1 ZINC000754751493 574118720 /nfs/dbraw/zinc/11/87/20/574118720.db2.gz DKEUALAMIUDYNR-NSHDSACASA-N 0 3 287.388 2.582 20 30 CFEDHN C#CCNC(=O)CN(CCC)[C@@H](CC)c1ccccc1 ZINC000746145997 574136993 /nfs/dbraw/zinc/13/69/93/574136993.db2.gz YYJATARGYTZEMQ-INIZCTEOSA-N 0 3 272.392 2.599 20 30 CFEDHN CCCCN(CC(=O)NCCC#N)[C@@H](C)c1ccccc1 ZINC000746148231 574137045 /nfs/dbraw/zinc/13/70/45/574137045.db2.gz WRZYIJBYSKYFDK-HNNXBMFYSA-N 0 3 287.407 2.880 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000746214955 574140406 /nfs/dbraw/zinc/14/04/06/574140406.db2.gz HDIFNGGFNFSJCP-OKILXGFUSA-N 0 3 270.376 2.504 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000746246154 574141655 /nfs/dbraw/zinc/14/16/55/574141655.db2.gz JYXDJYBTLLOYML-CXTNEJHOSA-N 0 3 272.348 2.523 20 30 CFEDHN C#CCN(CC)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000746457549 574149581 /nfs/dbraw/zinc/14/95/81/574149581.db2.gz HPIZZJHFUBCXNT-KRWDZBQOSA-N 0 3 284.403 2.525 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)CC1(O)CCCC1 ZINC000746502792 574152137 /nfs/dbraw/zinc/15/21/37/574152137.db2.gz IZKBOIKJDMQQEM-UHFFFAOYSA-N 0 3 261.340 2.566 20 30 CFEDHN COc1ccc(CNCc2ccc3c[nH]nc3c2)cc1C#N ZINC000746734606 574164550 /nfs/dbraw/zinc/16/45/50/574164550.db2.gz WPGQSEQOMFDMPR-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN CCO[C@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000729067449 574167383 /nfs/dbraw/zinc/16/73/83/574167383.db2.gz KYHKGXBTSNEOHS-DGCLKSJQSA-N 0 3 268.316 2.836 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)c1ccccc1 ZINC000729069676 574167449 /nfs/dbraw/zinc/16/74/49/574167449.db2.gz LKXZJVATIUDNKW-DZGCQCFKSA-N 0 3 284.359 2.581 20 30 CFEDHN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000755597680 574170416 /nfs/dbraw/zinc/17/04/16/574170416.db2.gz HGFSCCAFJSTIOT-CHWSQXEVSA-N 0 3 278.396 2.780 20 30 CFEDHN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000755597718 574170627 /nfs/dbraw/zinc/17/06/27/574170627.db2.gz HGFSCCAFJSTIOT-STQMWFEESA-N 0 3 278.396 2.780 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccnc2ccccc12 ZINC000755893651 574195036 /nfs/dbraw/zinc/19/50/36/574195036.db2.gz RMMSLJCVLAGSEK-GFCCVEGCSA-N 0 3 280.375 2.539 20 30 CFEDHN Cc1cc(N[C@@H](CCC#N)c2ccccc2)nc(N)n1 ZINC000747843800 574215221 /nfs/dbraw/zinc/21/52/21/574215221.db2.gz RFXACBHWVRVPRR-ZDUSSCGKSA-N 0 3 267.336 2.824 20 30 CFEDHN Cc1cccc(CON=C(N)c2ccc(CN(C)C)cc2)c1 ZINC000747838876 574215262 /nfs/dbraw/zinc/21/52/62/574215262.db2.gz PTEVAHFJWMYHGN-UHFFFAOYSA-N 0 3 297.402 2.894 20 30 CFEDHN N#CC(C(=O)CCc1cscn1)c1nc2ccccc2[nH]1 ZINC000733677999 574250754 /nfs/dbraw/zinc/25/07/54/574250754.db2.gz XFZMVEOIXVWOSE-NSHDSACASA-N 0 3 296.355 2.828 20 30 CFEDHN COCCON=C1CCN(Cc2ccccc2)C[C@H]1C ZINC000748789229 574266703 /nfs/dbraw/zinc/26/67/03/574266703.db2.gz DXBTWKSFBGBAFX-CQSZACIVSA-N 0 3 276.380 2.547 20 30 CFEDHN C[C@@H]1CC(N=Nc2ncccn2)CCN1Cc1ccccc1 ZINC000734299536 574281041 /nfs/dbraw/zinc/28/10/41/574281041.db2.gz ZFBROIRZLQRXRO-CQSZACIVSA-N 0 3 295.390 2.929 20 30 CFEDHN C[C@@H]1CCCN1CCNc1ccc(Cl)c(C#N)n1 ZINC000749280277 574287584 /nfs/dbraw/zinc/28/75/84/574287584.db2.gz CLSJUJOLHDLREP-SNVBAGLBSA-N 0 3 264.760 2.503 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(C(F)(F)F)cn2)CCN1C ZINC000741452824 574290827 /nfs/dbraw/zinc/29/08/27/574290827.db2.gz HCIDCCZYDAORBE-VIFPVBQESA-N 0 3 286.301 2.982 20 30 CFEDHN C[C@H]1CC(N=Nc2nc3cc(F)c(F)cc3[nH]2)CCN1C ZINC000741456614 574290875 /nfs/dbraw/zinc/29/08/75/574290875.db2.gz CLGVVDKPEWMNTE-QMMMGPOBSA-N 0 3 293.321 2.723 20 30 CFEDHN C#CCN(CCCC(=O)OCC)[C@H]1CCc2ccccc21 ZINC000749397297 574293486 /nfs/dbraw/zinc/29/34/86/574293486.db2.gz ZRVNQKMFUWSKCA-KRWDZBQOSA-N 0 3 285.387 2.952 20 30 CFEDHN CCCCCCCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000741723916 574299846 /nfs/dbraw/zinc/29/98/46/574299846.db2.gz WTPXCZBAETXXAO-KBPBESRZSA-N 0 3 254.418 2.946 20 30 CFEDHN CCCCCCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000741723922 574299912 /nfs/dbraw/zinc/29/99/12/574299912.db2.gz WTPXCZBAETXXAO-ZIAGYGMSSA-N 0 3 254.418 2.946 20 30 CFEDHN C#CCN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000725797436 574309853 /nfs/dbraw/zinc/30/98/53/574309853.db2.gz CGUHSEAPJRMYBA-GJZGRUSLSA-N 0 3 292.423 2.874 20 30 CFEDHN CC(N=NC(=N)N)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000749853422 574312567 /nfs/dbraw/zinc/31/25/67/574312567.db2.gz LXNSIUGLULQHKT-ZETCQYMHSA-N 0 3 289.166 2.620 20 30 CFEDHN C#CCNC(=O)CN(Cc1ccccc1)[C@H]1CCCC1(C)C ZINC000750063366 574322647 /nfs/dbraw/zinc/32/26/47/574322647.db2.gz UWRKSIOVASUDBG-KRWDZBQOSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCCC[N@@H+](CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413738 574322793 /nfs/dbraw/zinc/32/27/93/574322793.db2.gz YXLZGMYVECMXSF-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCCC[N@H+](CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413738 574322795 /nfs/dbraw/zinc/32/27/95/574322795.db2.gz YXLZGMYVECMXSF-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCCC[N@@H+](CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413738 574322797 /nfs/dbraw/zinc/32/27/97/574322797.db2.gz YXLZGMYVECMXSF-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCCC[N@H+](CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413738 574322813 /nfs/dbraw/zinc/32/28/13/574322813.db2.gz YXLZGMYVECMXSF-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCn1c(C)cc(C(=O)CON=C(N)CC2CC2)c1C ZINC000742364589 574324132 /nfs/dbraw/zinc/32/41/32/574324132.db2.gz HBFWUPLUQTYPNT-UHFFFAOYSA-N 0 3 289.379 2.772 20 30 CFEDHN C=CCCCN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000735491672 574327214 /nfs/dbraw/zinc/32/72/14/574327214.db2.gz PAVZRKXZHDGZSE-UHFFFAOYSA-N 0 3 268.401 2.895 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCC3)nc21 ZINC000735791083 574335548 /nfs/dbraw/zinc/33/55/48/574335548.db2.gz UEBAJLBKFPRWDB-NSHDSACASA-N 0 3 253.305 2.848 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCC3)[nH]c21 ZINC000735791083 574335551 /nfs/dbraw/zinc/33/55/51/574335551.db2.gz UEBAJLBKFPRWDB-NSHDSACASA-N 0 3 253.305 2.848 20 30 CFEDHN C=CCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000394103267 574340698 /nfs/dbraw/zinc/34/06/98/574340698.db2.gz FIPSRMXJCJYQAW-CYBMUJFWSA-N 0 3 283.368 2.600 20 30 CFEDHN N#CCCCOC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000735938685 574342490 /nfs/dbraw/zinc/34/24/90/574342490.db2.gz NBTUPAHYFDJFSI-INIZCTEOSA-N 0 3 286.375 2.746 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000743430217 574363988 /nfs/dbraw/zinc/36/39/88/574363988.db2.gz GHKPTWWRBWZQNB-LBPRGKRZSA-N 0 3 284.315 2.674 20 30 CFEDHN C#CCCN1CCC(NC(=O)C2CCCCCC2)CC1 ZINC000743493474 574366874 /nfs/dbraw/zinc/36/68/74/574366874.db2.gz VDTZKBVWBHQNRD-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCCN1CCC(NC(=O)Nc2ccc(C)s2)CC1 ZINC000751148558 574370126 /nfs/dbraw/zinc/37/01/26/574370126.db2.gz WYKFDEAQRXLNTI-UHFFFAOYSA-N 0 3 291.420 2.666 20 30 CFEDHN Cc1ccc([C@@H]2CCC[C@@H]2N(C)CC(=O)NCCC#N)cc1 ZINC000743858235 574374562 /nfs/dbraw/zinc/37/45/62/574374562.db2.gz VLJBNCHFDDKATQ-IRXDYDNUSA-N 0 3 299.418 2.593 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1 ZINC000744021679 574375874 /nfs/dbraw/zinc/37/58/74/574375874.db2.gz CCRAQTVHKKXNIL-OLZOCXBDSA-N 0 3 290.363 2.707 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@H]3CCOC3)nc21 ZINC000751846665 574383777 /nfs/dbraw/zinc/38/37/77/574383777.db2.gz ZVUTXAPLNCPSCD-STQMWFEESA-N 0 3 297.358 2.864 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@H]3CCOC3)[nH]c21 ZINC000751846665 574383778 /nfs/dbraw/zinc/38/37/78/574383778.db2.gz ZVUTXAPLNCPSCD-STQMWFEESA-N 0 3 297.358 2.864 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000752164148 574388803 /nfs/dbraw/zinc/38/88/03/574388803.db2.gz CYLMVFMOVHHAET-SECBINFHSA-N 0 3 296.296 2.926 20 30 CFEDHN COc1ccc(CNN=Cc2ccc3c(c2)CCN3C)cc1 ZINC000752725785 574394058 /nfs/dbraw/zinc/39/40/58/574394058.db2.gz BZQKJMRJIGFQEI-UHFFFAOYSA-N 0 3 295.386 2.811 20 30 CFEDHN N#CC(C(=O)C1CC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000753799875 574410372 /nfs/dbraw/zinc/41/03/72/574410372.db2.gz UWCDSJSDTNDVPI-SECBINFHSA-N 0 3 275.258 2.784 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@@H](C)NC(C)(C)CC)c1 ZINC000753795560 574410419 /nfs/dbraw/zinc/41/04/19/574410419.db2.gz ZWEDEYCZDVNZNN-GFCCVEGCSA-N 0 3 258.365 2.773 20 30 CFEDHN CC[C@@H](C[C@@](C)(O)CC)NCC1(C#N)CCCC1 ZINC000926874044 618777863 /nfs/dbraw/zinc/77/78/63/618777863.db2.gz MLPSDEOGXLHJDW-KBPBESRZSA-N 0 3 252.402 2.990 20 30 CFEDHN C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824585266 608483487 /nfs/dbraw/zinc/48/34/87/608483487.db2.gz OYKUTJVDHLUOMO-GFCCVEGCSA-N 0 3 298.394 2.847 20 30 CFEDHN C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824585266 608483488 /nfs/dbraw/zinc/48/34/88/608483488.db2.gz OYKUTJVDHLUOMO-GFCCVEGCSA-N 0 3 298.394 2.847 20 30 CFEDHN C[C@@H](C#N)CN(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900328367 620662277 /nfs/dbraw/zinc/66/22/77/620662277.db2.gz BZPAEUKUILRZRM-LBPRGKRZSA-N 0 3 284.363 2.522 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819730388 606996370 /nfs/dbraw/zinc/99/63/70/606996370.db2.gz YKAMIDHCXIDSLB-RYUDHWBXSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819730388 606996372 /nfs/dbraw/zinc/99/63/72/606996372.db2.gz YKAMIDHCXIDSLB-RYUDHWBXSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819729699 607056864 /nfs/dbraw/zinc/05/68/64/607056864.db2.gz KVLBCBYNKMIOPO-QWRGUYRKSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819729699 607056866 /nfs/dbraw/zinc/05/68/66/607056866.db2.gz KVLBCBYNKMIOPO-QWRGUYRKSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819734915 607058487 /nfs/dbraw/zinc/05/84/87/607058487.db2.gz XNXHDROWIPGCOJ-ZDUSSCGKSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819734915 607058489 /nfs/dbraw/zinc/05/84/89/607058489.db2.gz XNXHDROWIPGCOJ-ZDUSSCGKSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCC[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823899227 608463042 /nfs/dbraw/zinc/46/30/42/608463042.db2.gz QTHXNYKGZKWJBO-UHFFFAOYSA-N 0 3 281.363 2.532 20 30 CFEDHN C=CCC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823899227 608463044 /nfs/dbraw/zinc/46/30/44/608463044.db2.gz QTHXNYKGZKWJBO-UHFFFAOYSA-N 0 3 281.363 2.532 20 30 CFEDHN C=CCC[N@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823899227 608463045 /nfs/dbraw/zinc/46/30/45/608463045.db2.gz QTHXNYKGZKWJBO-UHFFFAOYSA-N 0 3 281.363 2.532 20 30 CFEDHN C=CCC[N@@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823899227 608463047 /nfs/dbraw/zinc/46/30/47/608463047.db2.gz QTHXNYKGZKWJBO-UHFFFAOYSA-N 0 3 281.363 2.532 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970117759 612995643 /nfs/dbraw/zinc/99/56/43/612995643.db2.gz QSPDRQHATYJEOC-OAHLLOKOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)C2CCCCCCC2)C1 ZINC000970123990 612996573 /nfs/dbraw/zinc/99/65/73/612996573.db2.gz JWOSVJCYOKMKIC-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC000970787215 612997408 /nfs/dbraw/zinc/99/74/08/612997408.db2.gz WUVDWJPKSAGHEA-HNNXBMFYSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCCN1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000981596067 613002286 /nfs/dbraw/zinc/00/22/86/613002286.db2.gz XXDMJNIWIAQSGX-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN C#CCCN1CCCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000981628547 613002295 /nfs/dbraw/zinc/00/22/95/613002295.db2.gz REAVNAYQLDWQRQ-UHFFFAOYSA-N 0 3 288.435 2.514 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968339044 613013944 /nfs/dbraw/zinc/01/39/44/613013944.db2.gz AFCMQBIFSBSUKN-PBHICJAKSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968424147 613014958 /nfs/dbraw/zinc/01/49/58/613014958.db2.gz ZFXSUIUABCWCFV-DOMZBBRYSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974626719 613031806 /nfs/dbraw/zinc/03/18/06/613031806.db2.gz ZBMOAYIODFFMIU-QAPCUYQASA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974936711 613032066 /nfs/dbraw/zinc/03/20/66/613032066.db2.gz PZLXYEUZRRSCQH-LSDHHAIUSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2CCC(=C)CC2)CC1 ZINC000948747268 613177654 /nfs/dbraw/zinc/17/76/54/613177654.db2.gz STBZTNMDHJOAQU-KRWDZBQOSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)c2cccc(C)c2)CC1 ZINC000948162181 613179432 /nfs/dbraw/zinc/17/94/32/613179432.db2.gz NCQDQXVBVBJFQE-KRWDZBQOSA-N 0 3 284.403 2.555 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C[C@H]1C ZINC000947551319 613224178 /nfs/dbraw/zinc/22/41/78/613224178.db2.gz IIZZCSNMTINBHE-GDBMZVCRSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2C)C[C@H]1C ZINC000947993609 613235198 /nfs/dbraw/zinc/23/51/98/613235198.db2.gz DWMRPPKPINLFER-HZPDHXFCSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)[C@@H](C)C1 ZINC000942585552 613235647 /nfs/dbraw/zinc/23/56/47/613235647.db2.gz HHDYQVWQWQAZGX-MAUKXSAKSA-N 0 3 298.430 2.713 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC000980960053 613251437 /nfs/dbraw/zinc/25/14/37/613251437.db2.gz MTWYMCQUGUEQBS-UHFFFAOYSA-N 0 3 268.376 2.750 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2coc(C)c2)CC1 ZINC000981042923 613255860 /nfs/dbraw/zinc/25/58/60/613255860.db2.gz XMRZBILOSMHPGY-UHFFFAOYSA-N 0 3 276.380 2.702 20 30 CFEDHN C=C(C)CCN1CC[C@@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965415892 613264555 /nfs/dbraw/zinc/26/45/55/613264555.db2.gz BWTITAMFLWTDIJ-CHWSQXEVSA-N 0 3 293.436 2.550 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C[C@H]1C ZINC000947974843 613265849 /nfs/dbraw/zinc/26/58/49/613265849.db2.gz HKDZOZMBQXMAJM-WBVHZDCISA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@@H](C)C1 ZINC000942585554 613268330 /nfs/dbraw/zinc/26/83/30/613268330.db2.gz HHDYQVWQWQAZGX-YJBOKZPZSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000945060266 613268375 /nfs/dbraw/zinc/26/83/75/613268375.db2.gz BJDANPLCBPMNCQ-KDOFPFPSSA-N 0 3 296.414 2.637 20 30 CFEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974639724 613274236 /nfs/dbraw/zinc/27/42/36/613274236.db2.gz GGKXIXUQEGVZAT-CYBMUJFWSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970295676 613299005 /nfs/dbraw/zinc/29/90/05/613299005.db2.gz KITVFLXUIUGVHT-HIFRSBDPSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC000970845147 613300011 /nfs/dbraw/zinc/30/00/11/613300011.db2.gz DLKRWHRSZOPJLA-LLVKDONJSA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(C)c2F)C1 ZINC000969722561 613300242 /nfs/dbraw/zinc/30/02/42/613300242.db2.gz ROFOVYUPVPJPKI-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC000970957240 613300377 /nfs/dbraw/zinc/30/03/77/613300377.db2.gz GZYWCVQSEPIVDN-CQSZACIVSA-N 0 3 298.430 2.802 20 30 CFEDHN 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/nfs/dbraw/zinc/79/86/42/613798642.db2.gz MYYLZMXRRAOICF-JQWIXIFHSA-N 0 3 298.333 2.986 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2Cl)C[C@H]1C ZINC000947952539 613800249 /nfs/dbraw/zinc/80/02/49/613800249.db2.gz IJLBERKSINLGAR-NEPJUHHUSA-N 0 3 293.798 2.504 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2nccc3occc32)C[C@H]1C ZINC000947568439 613800409 /nfs/dbraw/zinc/80/04/09/613800409.db2.gz LEYXBAZLAZTCHR-OLZOCXBDSA-N 0 3 299.374 2.597 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000941007159 613800935 /nfs/dbraw/zinc/80/09/35/613800935.db2.gz BMLQVOGTLZUEOI-LBPRGKRZSA-N 0 3 296.798 2.949 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2sccc2C)[C@@H](C)C1 ZINC000941745790 613801661 /nfs/dbraw/zinc/80/16/61/613801661.db2.gz AURYTBDXIPOESV-STQMWFEESA-N 0 3 278.421 2.683 20 30 CFEDHN C=CCN1C[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972782410 613806265 /nfs/dbraw/zinc/80/62/65/613806265.db2.gz ANDSOQMUIDUFAX-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN 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CAUWNIDOTJWSQN-CABCVRRESA-N 0 3 299.418 2.685 20 30 CFEDHN COCc1cccc(CNCC#Cc2ccccc2)c1 ZINC000051814196 618078474 /nfs/dbraw/zinc/07/84/74/618078474.db2.gz HXWAFPTUGNCSSA-UHFFFAOYSA-N 0 3 265.356 2.974 20 30 CFEDHN CCc1ncsc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000160158988 617604779 /nfs/dbraw/zinc/60/47/79/617604779.db2.gz ZDUYVAWUORETAG-LLVKDONJSA-N 0 3 299.355 2.667 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001020515060 617686881 /nfs/dbraw/zinc/68/68/81/617686881.db2.gz HLNDEUWZAWLNDN-HAQNSBGRSA-N 0 3 294.782 2.760 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001020524724 617689606 /nfs/dbraw/zinc/68/96/06/617689606.db2.gz YJQKQNAJGHAUNP-GHYVTOPFSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001020553717 617701951 /nfs/dbraw/zinc/70/19/51/617701951.db2.gz CDYKZRKGWMKAQR-AVGNSLFASA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001022269015 617712922 /nfs/dbraw/zinc/71/29/22/617712922.db2.gz RJCKLAQDGRHGPM-MCIONIFRSA-N 0 3 282.815 2.722 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001020640841 617758704 /nfs/dbraw/zinc/75/87/04/617758704.db2.gz JMUZZJJWTPJSLZ-IHRRRGAJSA-N 0 3 296.773 2.687 20 30 CFEDHN CN(Cc1cc(C#N)cs1)CC1CCC(=O)CC1 ZINC000933770967 617772866 /nfs/dbraw/zinc/77/28/66/617772866.db2.gz CJAPMWGESUNYMB-UHFFFAOYSA-N 0 3 262.378 2.811 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccsc1 ZINC000121612209 617790179 /nfs/dbraw/zinc/79/01/79/617790179.db2.gz OHRLCJQKKZUUBL-YPMHNXCESA-N 0 3 292.404 2.867 20 30 CFEDHN CCCCCC[C@H](C)NN=C(C)c1c[nH]c(N)n1 ZINC000901194704 620762835 /nfs/dbraw/zinc/76/28/35/620762835.db2.gz NLFZEGVMAKUSMG-JTQLQIEISA-N 0 3 251.378 2.664 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001021055629 617935472 /nfs/dbraw/zinc/93/54/72/617935472.db2.gz GEYLQNYOQFRREF-JOCQHMNTSA-N 0 3 295.814 2.672 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](C3CCOCC3)C2)cs1 ZINC000892147312 617972690 /nfs/dbraw/zinc/97/26/90/617972690.db2.gz VBTWIDNWYBZPTJ-AWEZNQCLSA-N 0 3 276.405 2.868 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[C@H]2C)C1 ZINC001022663016 617976079 /nfs/dbraw/zinc/97/60/79/617976079.db2.gz CMGQSGSEYDGSRK-PBOSXPJTSA-N 0 3 284.831 2.802 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC000840538610 617977031 /nfs/dbraw/zinc/97/70/31/617977031.db2.gz QBNRGNAKFSMTMG-MRXNPFEDSA-N 0 3 286.419 2.774 20 30 CFEDHN C#CCOCCN[C@H](c1ncccc1C)C(C)(C)C ZINC000934286365 617987669 /nfs/dbraw/zinc/98/76/69/617987669.db2.gz DPBTXLCRWKJMML-OAHLLOKOSA-N 0 3 260.381 2.717 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001022700040 618003398 /nfs/dbraw/zinc/00/33/98/618003398.db2.gz YKSFECTYRADWNN-WCFLWFBJSA-N 0 3 298.839 2.841 20 30 CFEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C)c2)C1 ZINC001021510268 618035654 /nfs/dbraw/zinc/03/56/54/618035654.db2.gz XORGDLNZKMBJFX-ROUUACIJSA-N 0 3 296.414 2.555 20 30 CFEDHN C=CC[C@H]1CCN1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000934460845 618039447 /nfs/dbraw/zinc/03/94/47/618039447.db2.gz KFUDWJTTZJSIDF-DZGCQCFKSA-N 0 3 272.348 2.662 20 30 CFEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021522829 618041338 /nfs/dbraw/zinc/04/13/38/618041338.db2.gz JUBRTGXQBYBSHT-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccsc1 ZINC000121862598 618093741 /nfs/dbraw/zinc/09/37/41/618093741.db2.gz BNWOLJAXTQIQPZ-CMPLNLGQSA-N 0 3 299.355 2.594 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001006872770 618093855 /nfs/dbraw/zinc/09/38/55/618093855.db2.gz FKKLMRODISQBEE-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001023384501 618186900 /nfs/dbraw/zinc/18/69/00/618186900.db2.gz JCLWXVLLCIBZKK-AWEZNQCLSA-N 0 3 296.370 2.508 20 30 CFEDHN C#CCC1(NCc2cc(OC(C)C)ccn2)CCC1 ZINC000933295165 618190932 /nfs/dbraw/zinc/19/09/32/618190932.db2.gz QKERRVQOPDNJSZ-UHFFFAOYSA-N 0 3 258.365 2.904 20 30 CFEDHN C#CCC1(NCc2cc(C(=O)OC)ccc2OC)CCC1 ZINC000933296006 618191335 /nfs/dbraw/zinc/19/13/35/618191335.db2.gz ZJRAUCRLKKEMEJ-UHFFFAOYSA-N 0 3 287.359 2.517 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc(Cl)cc2)CCC1 ZINC000933299364 618193651 /nfs/dbraw/zinc/19/36/51/618193651.db2.gz STVGWQNGKWJPIY-UHFFFAOYSA-N 0 3 276.767 2.814 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)CCC1 ZINC000933300755 618194570 /nfs/dbraw/zinc/19/45/70/618194570.db2.gz CYQPZMSYYBSMKW-CYBMUJFWSA-N 0 3 288.366 2.997 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001023565062 618199730 /nfs/dbraw/zinc/19/97/30/618199730.db2.gz XPBGBSCESNGIDD-KRWDZBQOSA-N 0 3 298.430 2.714 20 30 CFEDHN CCC(=NNC1C[C@@H](C)O[C@H](C)C1)c1ccc(N)cc1 ZINC000901298868 620785725 /nfs/dbraw/zinc/78/57/25/620785725.db2.gz JGEVDSUZSPVWRY-VXGBXAGGSA-N 0 3 275.396 2.929 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001023719465 618216465 /nfs/dbraw/zinc/21/64/65/618216465.db2.gz ADSUFOJBNNIONK-KRWDZBQOSA-N 0 3 298.430 2.769 20 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2.610 20 30 CFEDHN C[C@@H](C#N)OCCN(C)Cc1ccc(Cl)cc1 ZINC000310234623 618271635 /nfs/dbraw/zinc/27/16/35/618271635.db2.gz RDBABHQKHFPEHX-NSHDSACASA-N 0 3 252.745 2.700 20 30 CFEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1cncs1 ZINC001024349786 618298617 /nfs/dbraw/zinc/29/86/17/618298617.db2.gz GCGJMGDVEGDNOD-ZDUSSCGKSA-N 0 3 293.436 2.694 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cscc1C ZINC001024376840 618301796 /nfs/dbraw/zinc/30/17/96/618301796.db2.gz CEOWPJJPEYICOR-AWEZNQCLSA-N 0 3 290.432 2.664 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398578 618308126 /nfs/dbraw/zinc/30/81/26/618308126.db2.gz QWPOUQSJQSIWLC-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@]1(Br)C[C@@H]1CNCC1(C#N)CCCC1 ZINC000895140803 618373676 /nfs/dbraw/zinc/37/36/76/618373676.db2.gz HBRUOTVEMORHOE-MNOVXSKESA-N 0 3 271.202 2.833 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024601102 618408083 /nfs/dbraw/zinc/40/80/83/618408083.db2.gz HKXHASMYGZQWLA-INIZCTEOSA-N 0 3 288.435 2.561 20 30 CFEDHN CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895160717 618408293 /nfs/dbraw/zinc/40/82/93/618408293.db2.gz OYNQFNNTINSZJH-CVEARBPZSA-N 0 3 290.407 2.758 20 30 CFEDHN Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC000895161721 618409094 /nfs/dbraw/zinc/40/90/94/618409094.db2.gz TYBQVSODUXEIPH-HRCADAONSA-N 0 3 288.391 2.601 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(N(C)CCC#N)cc1 ZINC000191760863 618413573 /nfs/dbraw/zinc/41/35/73/618413573.db2.gz MPAKBSKERPJYEF-UHFFFAOYSA-N 0 3 287.407 2.671 20 30 CFEDHN Cc1nn(C(C)C)c(C)c1CNCC1(CC#N)CC1 ZINC000894197752 618439685 /nfs/dbraw/zinc/43/96/85/618439685.db2.gz PIFUYCKVJUAWOR-UHFFFAOYSA-N 0 3 260.385 2.864 20 30 CFEDHN CCN(CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877929190 618474978 /nfs/dbraw/zinc/47/49/78/618474978.db2.gz ABNNGQOOWXZTIL-MRXNPFEDSA-N 0 3 258.365 2.769 20 30 CFEDHN N#CCOc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177697178 618476072 /nfs/dbraw/zinc/47/60/72/618476072.db2.gz AMEAXLBPOLTDCZ-UHFFFAOYSA-N 0 3 283.356 2.812 20 30 CFEDHN C=CCC1([NH2+]Cc2ccc([O-])c(F)c2)CCOCC1 ZINC000895367718 618553054 /nfs/dbraw/zinc/55/30/54/618553054.db2.gz XSRKZNYTUNMHND-UHFFFAOYSA-N 0 3 265.328 2.746 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000895380953 618559471 /nfs/dbraw/zinc/55/94/71/618559471.db2.gz UEWGJMDUBCRMFV-UHFFFAOYSA-N 0 3 299.292 2.545 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000895386353 618562412 /nfs/dbraw/zinc/56/24/12/618562412.db2.gz ZEBDWXILLWLVRZ-UHFFFAOYSA-N 0 3 297.320 2.974 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(OCCC)c(C)c2)CC1 ZINC000895385820 618562562 /nfs/dbraw/zinc/56/25/62/618562562.db2.gz LQYPHKSEDAAUDU-UHFFFAOYSA-N 0 3 287.403 2.744 20 30 CFEDHN C#CC1(O)CCN(Cc2cc3ccccc3cc2OC)CC1 ZINC000895386369 618562699 /nfs/dbraw/zinc/56/26/99/618562699.db2.gz ZWZOZCMHFOWTMO-UHFFFAOYSA-N 0 3 295.382 2.809 20 30 CFEDHN C#Cc1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000066338761 618606905 /nfs/dbraw/zinc/60/69/05/618606905.db2.gz UIGJMRVDOWFJPA-UHFFFAOYSA-N 0 3 278.355 2.982 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001007512822 618690666 /nfs/dbraw/zinc/69/06/66/618690666.db2.gz SHLLCFFRVRGPSX-MRXNPFEDSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007515279 618691065 /nfs/dbraw/zinc/69/10/65/618691065.db2.gz UQCGKVJDQDDOTA-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN COC[C@@H](NCc1cc(C#N)ccc1F)C1CCCC1 ZINC000783253478 618706834 /nfs/dbraw/zinc/70/68/34/618706834.db2.gz HTLHYTUMKTYRLJ-MRXNPFEDSA-N 0 3 276.355 2.992 20 30 CFEDHN CC[C@@H](C[C@](C)(O)CC)NCC1(C#N)CCCC1 ZINC000926874046 618778213 /nfs/dbraw/zinc/77/82/13/618778213.db2.gz MLPSDEOGXLHJDW-UONOGXRCSA-N 0 3 252.402 2.990 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCC2(C#N)CC2)C1 ZINC000926873818 618777935 /nfs/dbraw/zinc/77/79/35/618777935.db2.gz JHAXDKVGPOBZRN-CHWSQXEVSA-N 0 3 293.411 2.573 20 30 CFEDHN C[C@@](O)(CNCC#Cc1ccccc1)c1cccs1 ZINC000892992045 618793822 /nfs/dbraw/zinc/79/38/22/618793822.db2.gz MAGAWPNBFJICDB-MRXNPFEDSA-N 0 3 271.385 2.597 20 30 CFEDHN COC(=O)C1(C#N)CCN(CC2CCC3(CC3)CC2)CC1 ZINC000930640914 618903665 /nfs/dbraw/zinc/90/36/65/618903665.db2.gz YLSDCQZKXFHRDO-UHFFFAOYSA-N 0 3 290.407 2.736 20 30 CFEDHN CN(C)Cc1ccnc(NCc2csc(C#N)c2)c1 ZINC000893435692 618991897 /nfs/dbraw/zinc/99/18/97/618991897.db2.gz TVQFLYPMXFZRFG-UHFFFAOYSA-N 0 3 272.377 2.688 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001009601751 619003069 /nfs/dbraw/zinc/00/30/69/619003069.db2.gz HQWTYCIIDSKGTN-IRXDYDNUSA-N 0 3 298.430 2.702 20 30 CFEDHN N#CCC1CCN(Cc2cn3ccnc3s2)CC1 ZINC000893488094 619016481 /nfs/dbraw/zinc/01/64/81/619016481.db2.gz QSSKIAMHEDGUDO-UHFFFAOYSA-N 0 3 260.366 2.521 20 30 CFEDHN CN(C)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000093492173 619030660 /nfs/dbraw/zinc/03/06/60/619030660.db2.gz XAOQJKZXAAHSOK-UHFFFAOYSA-N 0 3 271.389 2.976 20 30 CFEDHN C#Cc1cccc(CNC(=O)C(C)(C)N2CCCCC2)c1 ZINC000909391080 619049833 /nfs/dbraw/zinc/04/98/33/619049833.db2.gz PFNKLAOCZUUQLP-UHFFFAOYSA-N 0 3 284.403 2.549 20 30 CFEDHN C=CC1(CC(=O)N[C@@H]2CCCN(C)C2)CCCCC1 ZINC000932070340 619185784 /nfs/dbraw/zinc/18/57/84/619185784.db2.gz GYTNITMQZSRBHL-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1csc(C#N)c1 ZINC000893911851 619242322 /nfs/dbraw/zinc/24/23/22/619242322.db2.gz DXROOYDSJQGPNN-SUNKGSAMSA-N 0 3 264.394 2.601 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCC#Cc2ccccc2)c1 ZINC000893930470 619246299 /nfs/dbraw/zinc/24/62/99/619246299.db2.gz BYTONVDRZSGNFI-IBGZPJMESA-N 0 3 279.383 2.540 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccsc1C(=O)OC ZINC000894217609 619268573 /nfs/dbraw/zinc/26/85/73/619268573.db2.gz BAEAAYHXEGVMEE-YPMHNXCESA-N 0 3 295.404 2.606 20 30 CFEDHN N#CC1CCC(C[NH2+]Cc2ccc([O-])c(F)c2)CC1 ZINC000894245724 619280505 /nfs/dbraw/zinc/28/05/05/619280505.db2.gz FKHAIENNFPWSSX-UHFFFAOYSA-N 0 3 262.328 2.951 20 30 CFEDHN OC[C@@]1(CNCC#Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000894538296 619413475 /nfs/dbraw/zinc/41/34/75/619413475.db2.gz NVYWUYVGRAKSMD-UXHICEINSA-N 0 3 291.394 2.794 20 30 CFEDHN COCC1(C)CN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000894841471 619479666 /nfs/dbraw/zinc/47/96/66/619479666.db2.gz VNASVGHTZNYLHN-UHFFFAOYSA-N 0 3 258.365 2.643 20 30 CFEDHN C=C(CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000894847766 619481959 /nfs/dbraw/zinc/48/19/59/619481959.db2.gz GARAEBRJWIEIJV-SJORKVTESA-N 0 3 299.418 2.578 20 30 CFEDHN COC(=O)c1cc(CNCC(C)(C)CC#N)[nH]c1C(C)C ZINC000894983155 619522324 /nfs/dbraw/zinc/52/23/24/619522324.db2.gz AAKNDVQIYREUBL-UHFFFAOYSA-N 0 3 291.395 2.954 20 30 CFEDHN C#CCC1(O)CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000895671028 619582892 /nfs/dbraw/zinc/58/28/92/619582892.db2.gz YXPBHYUBIDWNCH-ARJAWSKDSA-N 0 3 291.341 2.828 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cn(Cc3ccccc3)nn2)CC1 ZINC000895951790 619643134 /nfs/dbraw/zinc/64/31/34/619643134.db2.gz BWWNVVGJAGPPBS-JCNLHEQBSA-N 0 3 294.402 2.608 20 30 CFEDHN C[C@@H]1OC[C@]2(CC[C@@H](CNCC#Cc3ccccc3)O2)[C@H]1C ZINC000896055661 619662656 /nfs/dbraw/zinc/66/26/56/619662656.db2.gz WTLBUUMLGLJVIQ-PBWTXFEYSA-N 0 3 299.414 2.600 20 30 CFEDHN N#CC1(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)CCC1 ZINC000841898064 619683594 /nfs/dbraw/zinc/68/35/94/619683594.db2.gz KIYKNSMTWFYHEF-WOPDTQHZSA-N 0 3 268.451 2.649 20 30 CFEDHN C[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCS1 ZINC000896953192 619903807 /nfs/dbraw/zinc/90/38/07/619903807.db2.gz WDLGOUOJKZVZPF-JOYOIKCWSA-N 0 3 281.812 2.980 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](C(=O)OCC)C2)c1 ZINC000896962439 619905526 /nfs/dbraw/zinc/90/55/26/619905526.db2.gz FIGBVOOIRMETSG-OAHLLOKOSA-N 0 3 289.375 2.636 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](C(=O)OCC)C2)cc1 ZINC000896963547 619905855 /nfs/dbraw/zinc/90/58/55/619905855.db2.gz QKICYBILOSWIIJ-HNNXBMFYSA-N 0 3 289.375 2.636 20 30 CFEDHN C#Cc1ccc(C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000896987132 619911406 /nfs/dbraw/zinc/91/14/06/619911406.db2.gz XPLIFAKAEYTMGB-UHFFFAOYSA-N 0 3 284.403 2.614 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000989096642 620231223 /nfs/dbraw/zinc/23/12/23/620231223.db2.gz YOHPGJCWAUMYCL-CRAIPNDOSA-N 0 3 298.430 2.565 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CCCC)cc2)C1 ZINC000989142120 620233854 /nfs/dbraw/zinc/23/38/54/620233854.db2.gz IHHXLQJULWRYHB-CRAIPNDOSA-N 0 3 298.430 2.855 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)c1 ZINC000786311883 620242177 /nfs/dbraw/zinc/24/21/77/620242177.db2.gz NIEDVWXKMVSVFB-ZDUSSCGKSA-N 0 3 283.331 2.582 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H](CCO)C2CCCC2)c1 ZINC000897882182 620296842 /nfs/dbraw/zinc/29/68/42/620296842.db2.gz FQPZBYURZXNPLW-AWEZNQCLSA-N 0 3 293.798 2.637 20 30 CFEDHN C=C1CCC(C(=O)N(CC)C2CCN(C)CC2)CC1 ZINC000897897141 620300086 /nfs/dbraw/zinc/30/00/86/620300086.db2.gz LSIOAILALZYWPF-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN CN1CCN(c2ncc(C#N)cc2Cl)CCC1(C)C ZINC000866113586 620379468 /nfs/dbraw/zinc/37/94/68/620379468.db2.gz BCUZRWQMLJFWKJ-UHFFFAOYSA-N 0 3 278.787 2.527 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000989507436 620379527 /nfs/dbraw/zinc/37/95/27/620379527.db2.gz PEAVUIKQBFHYRD-KRWDZBQOSA-N 0 3 298.430 2.656 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000989609697 620383035 /nfs/dbraw/zinc/38/30/35/620383035.db2.gz QSNFVPKKNCRXMP-QAETUUGQSA-N 0 3 290.451 2.661 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2oc3ccccc3c2C)C1 ZINC000989756722 620391781 /nfs/dbraw/zinc/39/17/81/620391781.db2.gz YUAZQRIEJYHAFI-OCCSQVGLSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC000989779224 620392124 /nfs/dbraw/zinc/39/21/24/620392124.db2.gz OLEFNIMTDAKFBZ-CRAIPNDOSA-N 0 3 298.430 2.711 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000989829750 620393480 /nfs/dbraw/zinc/39/34/80/620393480.db2.gz VZQHCDRJEHHDSK-ZFWWWQNUSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000989841214 620394683 /nfs/dbraw/zinc/39/46/83/620394683.db2.gz DAGFJZDVQKGGRR-KBPBESRZSA-N 0 3 296.370 2.567 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989927471 620403740 /nfs/dbraw/zinc/40/37/40/620403740.db2.gz ADEZRMZLALGAOB-IEBWSBKVSA-N 0 3 296.414 2.745 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@@H]12 ZINC000990250432 620413224 /nfs/dbraw/zinc/41/32/24/620413224.db2.gz JUKNYZLTBLQABR-WBVHZDCISA-N 0 3 288.391 2.809 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@H]12 ZINC000990250429 620413382 /nfs/dbraw/zinc/41/33/82/620413382.db2.gz JUKNYZLTBLQABR-DOTOQJQBSA-N 0 3 288.391 2.809 20 30 CFEDHN C#CCCc1noc(-c2ccc(CN3CCCCC3)o2)n1 ZINC000923883417 620418129 /nfs/dbraw/zinc/41/81/29/620418129.db2.gz STECNACLCZDWIP-UHFFFAOYSA-N 0 3 285.347 2.881 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3CC)CCC[C@H]12 ZINC000990458606 620424678 /nfs/dbraw/zinc/42/46/78/620424678.db2.gz ZZVRHWNVCCDOLN-RDJZCZTQSA-N 0 3 288.391 2.755 20 30 CFEDHN Cc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1C#N ZINC000926966312 620434464 /nfs/dbraw/zinc/43/44/64/620434464.db2.gz WJIQJNXNFSPTAU-INIZCTEOSA-N 0 3 280.375 2.767 20 30 CFEDHN N#Cc1sccc1-c1cnc([C@@H]2CCCN2)nc1 ZINC000899323438 620543402 /nfs/dbraw/zinc/54/34/02/620543402.db2.gz OGKSDSTUQGIIJG-NSHDSACASA-N 0 3 256.334 2.501 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014641788 620593703 /nfs/dbraw/zinc/59/37/03/620593703.db2.gz ZLMTZBXPQOMMMV-SFHVURJKSA-N 0 3 296.414 2.782 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@@H]12 ZINC000990891430 620868857 /nfs/dbraw/zinc/86/88/57/620868857.db2.gz NREHKXJFPDXVHH-WBVHZDCISA-N 0 3 299.374 2.674 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@H]12 ZINC000990905313 620925448 /nfs/dbraw/zinc/92/54/48/620925448.db2.gz FTQAWRWYJHTRLD-FUHWJXTLSA-N 0 3 299.418 2.611 20 30 CFEDHN C[C@H](NC[C@H]1Cc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902733974 621161092 /nfs/dbraw/zinc/16/10/92/621161092.db2.gz RVUBZPGJKMHNLG-SWLSCSKDSA-N 0 3 279.343 2.608 20 30 CFEDHN Cc1ccccc1OCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902771581 621170168 /nfs/dbraw/zinc/17/01/68/621170168.db2.gz IDCILYQDGFGYHV-CQSZACIVSA-N 0 3 281.359 2.991 20 30 CFEDHN C=CCC[C@@H](NCc1cc[nH]n1)[C@@]1(C)CCCCO1 ZINC000902796918 621179632 /nfs/dbraw/zinc/17/96/32/621179632.db2.gz WIBLWGCBKRLMJJ-HUUCEWRRSA-N 0 3 263.385 2.793 20 30 CFEDHN CO[C@]1(C)C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902827386 621183315 /nfs/dbraw/zinc/18/33/15/621183315.db2.gz KNTLCBKJVBRKJF-SGIREYDYSA-N 0 3 273.380 2.807 20 30 CFEDHN C[C@H](NC[C@](C)(O)c1cccs1)c1cc(C#N)ccn1 ZINC000902815318 621185569 /nfs/dbraw/zinc/18/55/69/621185569.db2.gz ULACDDYIUWBYOM-NHYWBVRUSA-N 0 3 287.388 2.573 20 30 CFEDHN C[C@@H](NCCCC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000902830658 621185799 /nfs/dbraw/zinc/18/57/99/621185799.db2.gz PVGPRXYLVSVRFL-GFCCVEGCSA-N 0 3 289.379 2.726 20 30 CFEDHN C[C@H](NCCc1ccc(Cl)nc1)c1cc(C#N)ccn1 ZINC000902840792 621189280 /nfs/dbraw/zinc/18/92/80/621189280.db2.gz HBBNHHJRDFGUJL-NSHDSACASA-N 0 3 286.766 2.895 20 30 CFEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@@H]1CCCO1 ZINC000902888236 621199969 /nfs/dbraw/zinc/19/99/69/621199969.db2.gz RCAVHLBENSOKTF-ZLDLUXBVSA-N 0 3 259.353 2.561 20 30 CFEDHN Cc1ccccc1C[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902967439 621211296 /nfs/dbraw/zinc/21/12/96/621211296.db2.gz VDOQBHFGKKGCSU-WMLDXEAASA-N 0 3 295.386 2.516 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000902978941 621216754 /nfs/dbraw/zinc/21/67/54/621216754.db2.gz MCUIKXSKWFBVTG-XJKSGUPXSA-N 0 3 285.391 2.610 20 30 CFEDHN COC1(CN[C@@H](C)c2cc(C#N)ccn2)CCCC1 ZINC000902999954 621224859 /nfs/dbraw/zinc/22/48/59/621224859.db2.gz GGCSZWNVTYQYCZ-LBPRGKRZSA-N 0 3 259.353 2.563 20 30 CFEDHN CC[C@H](C)[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)OC ZINC000903005018 621227136 /nfs/dbraw/zinc/22/71/36/621227136.db2.gz MDPBVVXNZMUHMH-SLEUVZQESA-N 0 3 261.369 2.665 20 30 CFEDHN CC[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000903035186 621230937 /nfs/dbraw/zinc/23/09/37/621230937.db2.gz KPJIFMUNQQHJSF-JKSUJKDBSA-N 0 3 299.418 2.998 20 30 CFEDHN C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)C(=O)OC(C)(C)C ZINC000903043052 621232932 /nfs/dbraw/zinc/23/29/32/621232932.db2.gz OGBPONPKXOACIO-RYUDHWBXSA-N 0 3 289.379 2.582 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903023626 621233853 /nfs/dbraw/zinc/23/38/53/621233853.db2.gz OYOIDJYAWJNFLZ-CZUORRHYSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@H](NCC1(O)CCC(C)CC1)c1cc(C#N)ccn1 ZINC000903059697 621237120 /nfs/dbraw/zinc/23/71/20/621237120.db2.gz TWTRIZGLHLSIRI-UYJPIKCFSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000903045115 621239956 /nfs/dbraw/zinc/23/99/56/621239956.db2.gz QMUFQNOKAXPUES-UBHSHLNASA-N 0 3 273.380 2.950 20 30 CFEDHN C[C@@H](NCC(C)(C)C#N)[C@@H]1COc2ccccc2C1 ZINC000903101702 621253351 /nfs/dbraw/zinc/25/33/51/621253351.db2.gz LDOYCZMBJUHVQG-OCCSQVGLSA-N 0 3 258.365 2.766 20 30 CFEDHN C[C@H](N[C@@H](CO)CCc1ccccc1)c1cc(C#N)ccn1 ZINC000903292570 621312220 /nfs/dbraw/zinc/31/22/20/621312220.db2.gz JPDLAAHCOSMLGG-WMLDXEAASA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(C#N)cc1F ZINC000903287532 621318999 /nfs/dbraw/zinc/31/89/99/621318999.db2.gz SYJDTIXWUACPJT-SKWGNGHKSA-N 0 3 272.323 2.524 20 30 CFEDHN C[C@@H](NCC[C@H](O)C1CC1)c1ccc(C#N)cc1F ZINC000903407285 621362801 /nfs/dbraw/zinc/36/28/01/621362801.db2.gz NLVUBRNCULFCFZ-BMIGLBTASA-N 0 3 262.328 2.509 20 30 CFEDHN C=C1CC(C)(c2noc(C34CCCN(CCC3)C4)n2)C1 ZINC000904110918 621523808 /nfs/dbraw/zinc/52/38/08/621523808.db2.gz JTJHPRITCISIEP-UHFFFAOYSA-N 0 3 273.380 2.805 20 30 CFEDHN C[N@@H+]1CC[C@H](CC(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904172986 621541620 /nfs/dbraw/zinc/54/16/20/621541620.db2.gz MSSMKNSXZUMSGZ-CQSZACIVSA-N 0 3 298.386 2.899 20 30 CFEDHN C[N@H+]1CC[C@H](CC(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904172986 621541623 /nfs/dbraw/zinc/54/16/23/621541623.db2.gz MSSMKNSXZUMSGZ-CQSZACIVSA-N 0 3 298.386 2.899 20 30 CFEDHN N#Cc1cc(-c2ccc([C@@]3(O)CCC[NH2+]C3)cc2)ccc1[O-] ZINC000904795678 621648585 /nfs/dbraw/zinc/64/85/85/621648585.db2.gz UUXMFCRTGJUYFO-GOSISDBHSA-N 0 3 294.354 2.502 20 30 CFEDHN CC(C)Oc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905081199 621690794 /nfs/dbraw/zinc/69/07/94/621690794.db2.gz PSJLIRRXOUKVPN-ZEVOCZHWSA-N 0 3 283.331 2.906 20 30 CFEDHN CCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905079690 621690932 /nfs/dbraw/zinc/69/09/32/621690932.db2.gz FEGDDNCSNKZBNH-AAIQCTMTSA-N 0 3 253.305 2.681 20 30 CFEDHN Cc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905082927 621691352 /nfs/dbraw/zinc/69/13/52/621691352.db2.gz YOQIBBIWRJXAMG-DELQEKLWSA-N 0 3 253.305 2.736 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905084189 621692130 /nfs/dbraw/zinc/69/21/30/621692130.db2.gz HVJSJAOLXLHWNK-GWHHBTOMSA-N 0 3 298.302 2.644 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000905087666 621693599 /nfs/dbraw/zinc/69/35/99/621693599.db2.gz YKTAQTZOCWJMED-ZEVOCZHWSA-N 0 3 283.331 2.826 20 30 CFEDHN COc1ccc(N=NC2C[C@H]3CCCN(C2)C3)cc1 ZINC000905457037 621777247 /nfs/dbraw/zinc/77/72/47/621777247.db2.gz RLCRFEDPGBABIT-GFCCVEGCSA-N 0 3 259.353 2.579 20 30 CFEDHN CC[C@](O)(CN[C@@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000905906230 621894535 /nfs/dbraw/zinc/89/45/35/621894535.db2.gz RNHKTBMSQVNVBN-GWCFXTLKSA-N 0 3 286.297 2.912 20 30 CFEDHN N#Cc1cc(-c2cnc([C@@H]3CCCN3)nc2)ccc1F ZINC000906170688 621943173 /nfs/dbraw/zinc/94/31/73/621943173.db2.gz KHEHMKCWZGVVAG-AWEZNQCLSA-N 0 3 268.295 2.579 20 30 CFEDHN CC[C@@H](CC#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907388589 622120141 /nfs/dbraw/zinc/12/01/41/622120141.db2.gz QAUZNXDZKWXJCC-ZDUSSCGKSA-N 0 3 284.363 2.713 20 30 CFEDHN C=C(C)CCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908929344 622289284 /nfs/dbraw/zinc/28/92/84/622289284.db2.gz LOQQNZFOBDTYGM-UHFFFAOYSA-N 0 3 271.364 2.987 20 30 CFEDHN C#CCC1(C(=O)N2CCCN(CC)C[C@H]2C)CCCCC1 ZINC000910278303 622423730 /nfs/dbraw/zinc/42/37/30/622423730.db2.gz DIQTWURGKSUZRX-MRXNPFEDSA-N 0 3 290.451 2.903 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000911977899 622594214 /nfs/dbraw/zinc/59/42/14/622594214.db2.gz KEGOSRWOZUFDSA-GFCCVEGCSA-N 0 3 292.379 2.634 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000912079532 622625824 /nfs/dbraw/zinc/62/58/24/622625824.db2.gz OLOHGDOUELITCE-ZFWWWQNUSA-N 0 3 260.381 2.890 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCCCc1ccccc1 ZINC000912166827 622654509 /nfs/dbraw/zinc/65/45/09/622654509.db2.gz PZHLLHVYNMVQOA-MRXNPFEDSA-N 0 3 274.408 2.809 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)c(C)c1 ZINC000912230406 622665234 /nfs/dbraw/zinc/66/52/34/622665234.db2.gz SSHBHRXAFOPUTO-CQSZACIVSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC(C)(C)c1ccccc1 ZINC000912282667 622674556 /nfs/dbraw/zinc/67/45/56/622674556.db2.gz ZEBCGXVKOCTJAM-AWEZNQCLSA-N 0 3 260.381 2.722 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000912342020 622689981 /nfs/dbraw/zinc/68/99/81/622689981.db2.gz GRIFALSFKBQFFB-IHRRRGAJSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCCC1CCCC1 ZINC000912433519 622710323 /nfs/dbraw/zinc/71/03/23/622710323.db2.gz NNVSKONDWYCQJP-CQSZACIVSA-N 0 3 252.402 2.757 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)NCc1cc(C)on1 ZINC000912438320 622711057 /nfs/dbraw/zinc/71/10/57/622711057.db2.gz OFUACVCLGVTQDK-CQSZACIVSA-N 0 3 281.400 2.677 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)NCC1CCOCC1 ZINC000912443310 622711180 /nfs/dbraw/zinc/71/11/80/622711180.db2.gz XNNCUAZEWOTZSJ-HNNXBMFYSA-N 0 3 284.444 2.607 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C(C)C)C1CCCC1 ZINC000912461238 622714278 /nfs/dbraw/zinc/71/42/78/622714278.db2.gz DFQCKPOAPJFZTM-CQSZACIVSA-N 0 3 252.402 2.850 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000912466062 622715238 /nfs/dbraw/zinc/71/52/38/622715238.db2.gz OBUYAAKQXDWTDU-RDJZCZTQSA-N 0 3 286.419 2.906 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913096450 622834104 /nfs/dbraw/zinc/83/41/04/622834104.db2.gz ARSRFWRDCIWZOL-FUHWJXTLSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991498861 622945794 /nfs/dbraw/zinc/94/57/94/622945794.db2.gz CEUVKHHZEKEMSW-XJKSGUPXSA-N 0 3 280.387 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000876701579 622945908 /nfs/dbraw/zinc/94/59/08/622945908.db2.gz VCNGMHKHNNGZFP-USWWRNFRSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CC1CCCCC1 ZINC000876883018 622986577 /nfs/dbraw/zinc/98/65/77/622986577.db2.gz YBCLWTKITULLNC-DGCLKSJQSA-N 0 3 272.820 2.931 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@](C)(O)c1ccccc1 ZINC000822516049 623119015 /nfs/dbraw/zinc/11/90/15/623119015.db2.gz ICDWWRJQCJYRSF-INIZCTEOSA-N 0 3 286.400 2.959 20 30 CFEDHN C#CCNC(=O)CN([C@@H](C)c1ccccc1)C1CCCC1 ZINC000823105856 623237318 /nfs/dbraw/zinc/23/73/18/623237318.db2.gz MTPMTHGCLGVNPZ-HNNXBMFYSA-N 0 3 284.403 2.742 20 30 CFEDHN COc1ccc(CNCc2ccc(F)cc2)cc1C#N ZINC000087822370 623277791 /nfs/dbraw/zinc/27/77/91/623277791.db2.gz YNLKEYAZUZMUNW-UHFFFAOYSA-N 0 3 270.307 2.996 20 30 CFEDHN C=CCN(CC=C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823379483 623304582 /nfs/dbraw/zinc/30/45/82/623304582.db2.gz MHYZGFFCBQJQEG-YOEHRIQHSA-N 0 3 292.423 2.917 20 30 CFEDHN C=CCN(CC=C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823379481 623305303 /nfs/dbraw/zinc/30/53/03/623305303.db2.gz MHYZGFFCBQJQEG-RHSMWYFYSA-N 0 3 292.423 2.917 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000823499730 623335359 /nfs/dbraw/zinc/33/53/59/623335359.db2.gz NZYBEQCNLMKTEA-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986350 623378845 /nfs/dbraw/zinc/37/88/45/623378845.db2.gz PFXPAYSJMRPCRS-BXUZGUMPSA-N 0 3 288.347 2.779 20 30 CFEDHN C#CCCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000174574902 623431577 /nfs/dbraw/zinc/43/15/77/623431577.db2.gz WADSDPDBMGXMKT-UHFFFAOYSA-N 0 3 284.359 2.638 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@@H]12 ZINC000992132731 623464411 /nfs/dbraw/zinc/46/44/11/623464411.db2.gz UUUZHVQQBKBNGM-QAPCUYQASA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3occc3CC)CCC[C@@H]12 ZINC000992170716 623477003 /nfs/dbraw/zinc/47/70/03/623477003.db2.gz KONUEHIDTMMUKV-RHSMWYFYSA-N 0 3 288.391 2.755 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992190476 623482545 /nfs/dbraw/zinc/48/25/45/623482545.db2.gz OPRGVQSFUNFQEP-CBZIJGRNSA-N 0 3 288.435 2.559 20 30 CFEDHN C#C[C@@H](CC)NCc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824363563 623496081 /nfs/dbraw/zinc/49/60/81/623496081.db2.gz GEESXGYHGICLGY-INIZCTEOSA-N 0 3 296.370 2.873 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929698463 623515319 /nfs/dbraw/zinc/51/53/19/623515319.db2.gz MMKOKOATFVGMOJ-HUUCEWRRSA-N 0 3 273.380 2.589 20 30 CFEDHN Cn1c(Cl)nc(Cl)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000824683259 623544544 /nfs/dbraw/zinc/54/45/44/623544544.db2.gz BVKMBODFQGWVTP-IUCAKERBSA-N 0 3 287.194 2.899 20 30 CFEDHN C=CC(C)(C)CNCc1c(Cl)n(C)nc1CC ZINC000824789896 623566235 /nfs/dbraw/zinc/56/62/35/623566235.db2.gz ISDQFFPKSQUKJG-UHFFFAOYSA-N 0 3 255.793 2.938 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(c2cccc(F)n2)CC1 ZINC000824810261 623570167 /nfs/dbraw/zinc/57/01/67/623570167.db2.gz HECCLNHGOKIRBW-UHFFFAOYSA-N 0 3 290.386 2.673 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000824840542 623574665 /nfs/dbraw/zinc/57/46/65/623574665.db2.gz BKEPUGZZSTXAHN-INIZCTEOSA-N 0 3 299.418 2.782 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@@H](CC)[C@H](C)O ZINC000824921899 623589541 /nfs/dbraw/zinc/58/95/41/623589541.db2.gz VOURGQZLZFSTKX-FZMZJTMJSA-N 0 3 281.783 2.601 20 30 CFEDHN C#Cc1cccc(CNCc2cccc(OCCOC)c2)c1 ZINC000825227682 623654144 /nfs/dbraw/zinc/65/41/44/623654144.db2.gz XWYWFNSJFOIYBQ-UHFFFAOYSA-N 0 3 295.382 2.983 20 30 CFEDHN CC(C)C#CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000825697259 623743173 /nfs/dbraw/zinc/74/31/73/623743173.db2.gz GOXJCSSQUHFFNB-GOSISDBHSA-N 0 3 298.430 2.989 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(O[C@@H](C)COC)cc1 ZINC000825878586 623764505 /nfs/dbraw/zinc/76/45/05/623764505.db2.gz RYNZAWODLZHGQH-DZGCQCFKSA-N 0 3 261.365 2.602 20 30 CFEDHN C#CCSCCNCc1ccccc1Br ZINC000152918259 623790808 /nfs/dbraw/zinc/79/08/08/623790808.db2.gz WTJNHIFVVWYGQS-UHFFFAOYSA-N 0 3 284.222 2.905 20 30 CFEDHN N#CC1(c2ccc(CN3C[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC000826142981 623797214 /nfs/dbraw/zinc/79/72/14/623797214.db2.gz PXXNJNRTUZWJTN-OKILXGFUSA-N 0 3 274.314 2.939 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992943715 623814422 /nfs/dbraw/zinc/81/44/22/623814422.db2.gz KQRKTWPLMPYYSW-ZFWWWQNUSA-N 0 3 264.413 2.722 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992988258 623831412 /nfs/dbraw/zinc/83/14/12/623831412.db2.gz XBCONILFQXVWOE-DOTOQJQBSA-N 0 3 284.403 2.601 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990204 623832738 /nfs/dbraw/zinc/83/27/38/623832738.db2.gz YZTNAUNHBNTTDK-ZFWWWQNUSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)nc2)[C@@H]1C ZINC000993073380 623890092 /nfs/dbraw/zinc/89/00/92/623890092.db2.gz QKRJWLVFIUCBSS-GOEBONIOSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)nc2)[C@H]1C ZINC000993073374 623890677 /nfs/dbraw/zinc/89/06/77/623890677.db2.gz QKRJWLVFIUCBSS-GDBMZVCRSA-N 0 3 287.407 2.549 20 30 CFEDHN CN1CCCc2cc(C=NN[C@@H]3CCOC3(C)C)ccc21 ZINC000835014415 623933464 /nfs/dbraw/zinc/93/34/64/623933464.db2.gz ROOMZSNNSTWYEQ-MRXNPFEDSA-N 0 3 287.407 2.560 20 30 CFEDHN C#CCN(CCCOc1ccc(OC)cc1)C1CC1 ZINC000763950874 623970947 /nfs/dbraw/zinc/97/09/47/623970947.db2.gz PNCIIOVCDIXIFF-UHFFFAOYSA-N 0 3 259.349 2.562 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnccc2C)[C@@H]1C ZINC000993171088 623975373 /nfs/dbraw/zinc/97/53/73/623975373.db2.gz ZTXJHPZOGZKHHI-GOEBONIOSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@@H]1C ZINC000993176626 623978900 /nfs/dbraw/zinc/97/89/00/623978900.db2.gz BXZKKCNUFZTSCF-GOEBONIOSA-N 0 3 287.407 2.549 20 30 CFEDHN CC(=O)OC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000153542698 624013759 /nfs/dbraw/zinc/01/37/59/624013759.db2.gz BVXTVUBJBCURFO-GFCCVEGCSA-N 0 3 272.348 2.647 20 30 CFEDHN C#C[C@@H](NCc1ccc(C)cc1OC)C1CCOCC1 ZINC000827555499 624030142 /nfs/dbraw/zinc/03/01/42/624030142.db2.gz VFKRGQUDLONPBT-MRXNPFEDSA-N 0 3 273.376 2.522 20 30 CFEDHN C#C[C@H](NCc1c(F)cccc1CC)C1CCOCC1 ZINC000827560688 624032558 /nfs/dbraw/zinc/03/25/58/624032558.db2.gz TXBACYODZKPAFU-KRWDZBQOSA-N 0 3 275.367 2.906 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993209483 624033748 /nfs/dbraw/zinc/03/37/48/624033748.db2.gz ZQNBJZXLNHIFEZ-RDJZCZTQSA-N 0 3 288.435 2.869 20 30 CFEDHN C#C[C@@H](NCc1cnc(C2CC2)s1)C1CCOCC1 ZINC000827566667 624035082 /nfs/dbraw/zinc/03/50/82/624035082.db2.gz YGCJVXMJXBNCKZ-CQSZACIVSA-N 0 3 276.405 2.539 20 30 CFEDHN C#C[C@H](NCc1cnc(C(C)C)s1)C1CCOCC1 ZINC000827566337 624035290 /nfs/dbraw/zinc/03/52/90/624035290.db2.gz VCJBZSHWWGICBJ-AWEZNQCLSA-N 0 3 278.421 2.785 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993212428 624039308 /nfs/dbraw/zinc/03/93/08/624039308.db2.gz ZLEMKHRLDYSMLL-UKRRQHHQSA-N 0 3 288.391 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ZINC001001101357 626143853 /nfs/dbraw/zinc/14/38/53/626143853.db2.gz TVKSFJMULLABFM-GDBMZVCRSA-N 0 3 276.424 2.747 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001001291220 626153077 /nfs/dbraw/zinc/15/30/77/626153077.db2.gz NHXRVSRWSOXHKU-UHFFFAOYSA-N 0 3 290.451 2.520 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(F)cc(F)c2)CC1 ZINC001001431853 626157484 /nfs/dbraw/zinc/15/74/84/626157484.db2.gz GDBROQXEEUVKAY-UHFFFAOYSA-N 0 3 292.329 2.513 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001775775 626162923 /nfs/dbraw/zinc/16/29/23/626162923.db2.gz DLZJEHOLUNKKKI-WBVHZDCISA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001001771477 626163318 /nfs/dbraw/zinc/16/33/18/626163318.db2.gz AZQAGTIWRRHRFW-DOTOQJQBSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001001796096 626163753 /nfs/dbraw/zinc/16/37/53/626163753.db2.gz BAIGBAQDLAURFD-IAGOWNOFSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001001982725 626165970 /nfs/dbraw/zinc/16/59/70/626165970.db2.gz LCLLDHXURGYACX-IAGOWNOFSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001001997394 626166356 /nfs/dbraw/zinc/16/63/56/626166356.db2.gz SISULMNTIVCHGY-SJLPKXTDSA-N 0 3 290.451 2.520 20 30 CFEDHN C[C@](O)(CNCc1csc(C#N)c1)c1ccc(F)cc1 ZINC000921940514 626182216 /nfs/dbraw/zinc/18/22/16/626182216.db2.gz TTWCNINYKXXCFQ-HNNXBMFYSA-N 0 3 290.363 2.756 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ncc(Cl)s2)CC1 ZINC001003303546 626225335 /nfs/dbraw/zinc/22/53/35/626225335.db2.gz ORZSMGJFNAZHRC-UHFFFAOYSA-N 0 3 299.827 2.567 20 30 CFEDHN C[C@H]1CCC[C@@H](CNCc2csc(C#N)c2)O1 ZINC000922249343 626251252 /nfs/dbraw/zinc/25/12/52/626251252.db2.gz JFXKEMQQLCUFCU-JQWIXIFHSA-N 0 3 250.367 2.667 20 30 CFEDHN CC1(C)CC[C@H](CNCc2csc(C#N)c2)OC1 ZINC000922331237 626271833 /nfs/dbraw/zinc/27/18/33/626271833.db2.gz SYZLIHAVUCLKBR-GFCCVEGCSA-N 0 3 264.394 2.915 20 30 CFEDHN C#CC1(NCc2cccc3[nH]c(=O)oc32)CCCC1 ZINC000922335790 626273376 /nfs/dbraw/zinc/27/33/76/626273376.db2.gz URKURVVSRGTQJV-UHFFFAOYSA-N 0 3 256.305 2.569 20 30 CFEDHN N#Cc1cc(CNC[C@H]2CC3(CCC3)CO2)cs1 ZINC000922341867 626275703 /nfs/dbraw/zinc/27/57/03/626275703.db2.gz VMTXAPKGZFYDAA-GFCCVEGCSA-N 0 3 262.378 2.669 20 30 CFEDHN N#Cc1ccc(CNCC[C@H]2CC[C@@H](C(F)(F)F)O2)o1 ZINC000922678613 626340547 /nfs/dbraw/zinc/34/05/47/626340547.db2.gz FBMQBZDSZUGYPJ-SKDRFNHKSA-N 0 3 288.269 2.741 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001005219220 626412788 /nfs/dbraw/zinc/41/27/88/626412788.db2.gz HUMRKKOKKXQURI-UHFFFAOYSA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cncc(C)c2)CC1 ZINC001005208073 626412867 /nfs/dbraw/zinc/41/28/67/626412867.db2.gz AWYIAYSMOUMOAQ-UHFFFAOYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001005431763 626414785 /nfs/dbraw/zinc/41/47/85/626414785.db2.gz DRGVYPFCVHAKNQ-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001005483045 626415419 /nfs/dbraw/zinc/41/54/19/626415419.db2.gz VSIMYNGYOZSYNJ-GFCCVEGCSA-N 0 3 286.366 2.531 20 30 CFEDHN C#Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1 ZINC000922894910 626416812 /nfs/dbraw/zinc/41/68/12/626416812.db2.gz RHHSYLPTDVCQDB-KRWDZBQOSA-N 0 3 267.376 2.888 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(F)ccc2C)CC1 ZINC001005789974 626421098 /nfs/dbraw/zinc/42/10/98/626421098.db2.gz ZEFLNXNLIYWHQO-UHFFFAOYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC001005839387 626429777 /nfs/dbraw/zinc/42/97/77/626429777.db2.gz CTWSOSHKDQVUII-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CC(C)(C)OC2(C)C)nn1 ZINC000922949445 626431288 /nfs/dbraw/zinc/43/12/88/626431288.db2.gz YJBKSTFEXGRZRS-ZDUSSCGKSA-N 0 3 292.427 2.538 20 30 CFEDHN C#CCC1(NCc2cnc(C(C)(C)C)nc2)CCC1 ZINC000922997071 626440838 /nfs/dbraw/zinc/44/08/38/626440838.db2.gz CIWMMYLQJWBKET-UHFFFAOYSA-N 0 3 257.381 2.810 20 30 CFEDHN C#CCC1(NCc2cc(OC)ccc2OCOC)CCC1 ZINC000922997392 626440970 /nfs/dbraw/zinc/44/09/70/626440970.db2.gz HHPWLWGHVYGIAT-UHFFFAOYSA-N 0 3 289.375 2.714 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2CCC(F)CC2)CC1 ZINC001005932298 626452635 /nfs/dbraw/zinc/45/26/35/626452635.db2.gz XIOULZZMOMEMQB-UHFFFAOYSA-N 0 3 282.403 2.624 20 30 CFEDHN C#CCC1(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CCCCC1 ZINC000923271128 626461809 /nfs/dbraw/zinc/46/18/09/626461809.db2.gz DNOCODSMBORZRU-JKSUJKDBSA-N 0 3 288.435 2.655 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H](F)c2ccccc2)CC1 ZINC001006066369 626469707 /nfs/dbraw/zinc/46/97/07/626469707.db2.gz APADZOUZCBHLQS-MRXNPFEDSA-N 0 3 290.382 2.806 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(C)C)no2)CC1 ZINC001006083066 626472489 /nfs/dbraw/zinc/47/24/89/626472489.db2.gz ANLVEVYFNCIDBE-UHFFFAOYSA-N 0 3 291.395 2.520 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001006081276 626473366 /nfs/dbraw/zinc/47/33/66/626473366.db2.gz CPEKEQWSQAWZGV-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)c(F)c1 ZINC000838624015 626502098 /nfs/dbraw/zinc/50/20/98/626502098.db2.gz CBXDUYUNXGFUDN-UHFFFAOYSA-N 0 3 297.761 2.556 20 30 CFEDHN C=CCN(CCC(=O)N1CCCC1)Cc1cccc(C#N)c1 ZINC000838801462 626505784 /nfs/dbraw/zinc/50/57/84/626505784.db2.gz LQZLSPUNULVDFW-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN COCC1(C)CN(Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000839145716 626526094 /nfs/dbraw/zinc/52/60/94/626526094.db2.gz SMFJGXFSVSMJPZ-UHFFFAOYSA-N 0 3 287.407 2.505 20 30 CFEDHN C#C[C@@H](NCCC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000839563631 626547371 /nfs/dbraw/zinc/54/73/71/626547371.db2.gz KGYWFENURPJWCB-HUUCEWRRSA-N 0 3 260.381 2.621 20 30 CFEDHN CN(C)c1ccncc1C=NOCc1ccc(F)cc1 ZINC000758142794 626578819 /nfs/dbraw/zinc/57/88/19/626578819.db2.gz KSKILYOLMBVCPH-UHFFFAOYSA-N 0 3 273.311 2.837 20 30 CFEDHN CCC(=NNC1CCOCC1)c1ccc(N(C)C)cc1 ZINC000759206475 626636377 /nfs/dbraw/zinc/63/63/77/626636377.db2.gz XWWBZOYYWLIWQD-UHFFFAOYSA-N 0 3 275.396 2.635 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cncc(F)c2)nc(C)n1 ZINC000759204860 626636465 /nfs/dbraw/zinc/63/64/65/626636465.db2.gz NBBSWWYLNOKPJK-NQHOJNORSA-N 0 3 296.305 2.517 20 30 CFEDHN CN(Cc1cc(Cl)ccc1OCC#N)CC1(O)CCC1 ZINC000759878396 626699281 /nfs/dbraw/zinc/69/92/81/626699281.db2.gz YXKRXVJQNHPNAQ-UHFFFAOYSA-N 0 3 294.782 2.589 20 30 CFEDHN C#CCOc1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000761225791 626817626 /nfs/dbraw/zinc/81/76/26/626817626.db2.gz LSOBOVIJVQQXOZ-UHFFFAOYSA-N 0 3 285.387 2.701 20 30 CFEDHN C#CCOCCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000851786847 634530226 /nfs/dbraw/zinc/53/02/26/634530226.db2.gz GBMZLTVKYVZSHW-CZUORRHYSA-N 0 3 261.340 2.858 20 30 CFEDHN C[C@H]1CC(N=NCc2ccc(Cl)cc2)CN1C ZINC000764718699 627087507 /nfs/dbraw/zinc/08/75/07/627087507.db2.gz QWKPRNJBRXIOFZ-JTQLQIEISA-N 0 3 251.761 2.510 20 30 CFEDHN C#CCCCN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000766895852 627225063 /nfs/dbraw/zinc/22/50/63/627225063.db2.gz JFXFZTMGSPRTMP-UHFFFAOYSA-N 0 3 286.419 2.616 20 30 CFEDHN C#CCCCN(C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000766903597 627226145 /nfs/dbraw/zinc/22/61/45/627226145.db2.gz SYEXXEYHFGAFPJ-QGZVFWFLSA-N 0 3 285.366 2.994 20 30 CFEDHN Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc(N)n1 ZINC000767300036 627242632 /nfs/dbraw/zinc/24/26/32/627242632.db2.gz BGSGOPQAFOJEPZ-UHFFFAOYSA-N 0 3 291.358 2.533 20 30 CFEDHN Cc1nccn1CCCCN(CCC#N)CC(C)C ZINC000767404614 627248114 /nfs/dbraw/zinc/24/81/14/627248114.db2.gz GLECCSSFQONVQW-UHFFFAOYSA-N 0 3 262.401 2.843 20 30 CFEDHN N#Cc1ccc(CNC2CC(C(F)F)C2)c(F)c1 ZINC000768697831 627365970 /nfs/dbraw/zinc/36/59/70/627365970.db2.gz PRMOSOIYAXMDOD-UHFFFAOYSA-N 0 3 254.255 2.831 20 30 CFEDHN CC1(C)OC[C@@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000851885786 634571356 /nfs/dbraw/zinc/57/13/56/634571356.db2.gz LTOIBRRKCBBCKU-QGZVFWFLSA-N 0 3 298.386 2.799 20 30 CFEDHN C#CCN(Cc1c[nH]c(C(=O)OC)c1)C1CCCCC1 ZINC000769145635 627407050 /nfs/dbraw/zinc/40/70/50/627407050.db2.gz KWDIFJRARWBIEZ-UHFFFAOYSA-N 0 3 274.364 2.569 20 30 CFEDHN FC(F)(F)CNN=C1CCCC[C@H]1N1CCCCC1 ZINC000769810266 627477259 /nfs/dbraw/zinc/47/72/59/627477259.db2.gz KNJURCMAANAMIC-GFCCVEGCSA-N 0 3 277.334 2.923 20 30 CFEDHN C=CCCCCNCc1cn(-c2ccccc2)nn1 ZINC000769936101 627489543 /nfs/dbraw/zinc/48/95/43/627489543.db2.gz IPFLXRAPYPYMJP-UHFFFAOYSA-N 0 3 256.353 2.713 20 30 CFEDHN C#CCOCCN1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000851918780 634588206 /nfs/dbraw/zinc/58/82/06/634588206.db2.gz DFCHXGLXIRPZIV-KBPBESRZSA-N 0 3 273.376 2.653 20 30 CFEDHN C#CCNC(=O)CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000775133149 627995567 /nfs/dbraw/zinc/99/55/67/627995567.db2.gz WHPYQAYTPWEAJA-HNNXBMFYSA-N 0 3 272.392 2.503 20 30 CFEDHN C#C[C@H](NCc1cc(C)c(C)cc1C)[C@@H]1CCCO1 ZINC000775344419 628013589 /nfs/dbraw/zinc/01/35/89/628013589.db2.gz HCVNJCFBZKDBOJ-IRXDYDNUSA-N 0 3 257.377 2.882 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000775354516 628014814 /nfs/dbraw/zinc/01/48/14/628014814.db2.gz ZJWFOROHEVXVJE-QWHCGFSZSA-N 0 3 270.376 2.658 20 30 CFEDHN C#C[C@@H](NC1CC(c2ccccc2F)C1)[C@H]1CCCO1 ZINC000775573296 628041430 /nfs/dbraw/zinc/04/14/30/628041430.db2.gz GSHOLHYWGSJOSY-DNDXXGFKSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@@H](NCCc1ccccc1Cl)[C@@H]1CCCO1 ZINC000775790026 628068379 /nfs/dbraw/zinc/06/83/79/628068379.db2.gz PFSWRWQTDUOZIK-CABCVRRESA-N 0 3 263.768 2.653 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000775984914 628091115 /nfs/dbraw/zinc/09/11/15/628091115.db2.gz IDGKIRDGGOHXCC-RBSFLKMASA-N 0 3 287.407 2.502 20 30 CFEDHN C#C[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000776001978 628093075 /nfs/dbraw/zinc/09/30/75/628093075.db2.gz RLYQECGGOIIORW-KBPBESRZSA-N 0 3 279.767 2.624 20 30 CFEDHN C#C[C@H](NCc1cc(Cl)cc(C)c1O)[C@@H]1CCCO1 ZINC000776001978 628093080 /nfs/dbraw/zinc/09/30/80/628093080.db2.gz RLYQECGGOIIORW-KBPBESRZSA-N 0 3 279.767 2.624 20 30 CFEDHN C[C@H](NCc1ccccc1CO)c1ccc(OCC#N)cc1 ZINC000776160013 628108169 /nfs/dbraw/zinc/10/81/69/628108169.db2.gz ZFMCTHGSLKGXPG-AWEZNQCLSA-N 0 3 296.370 2.932 20 30 CFEDHN C#CCCN1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000776593355 628163156 /nfs/dbraw/zinc/16/31/56/628163156.db2.gz IQJXLKDFPIKTPD-GOSISDBHSA-N 0 3 286.394 2.844 20 30 CFEDHN CC(CN1CCCCCC1)N=Nc1ncccc1[N+](=O)[O-] ZINC000777438515 628226130 /nfs/dbraw/zinc/22/61/30/628226130.db2.gz FTVWNUKFMWYGGN-UHFFFAOYSA-N 0 3 291.355 2.654 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC1CCC(O)CC1 ZINC000778152617 628280781 /nfs/dbraw/zinc/28/07/81/628280781.db2.gz YIFBZMQEACRBQP-UHFFFAOYSA-N 0 3 293.794 2.745 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)C[C@H](C)O ZINC000778169498 628282808 /nfs/dbraw/zinc/28/28/08/628282808.db2.gz UFCFHWMGDHGNMU-OLZOCXBDSA-N 0 3 295.810 2.849 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC(C)(C)O ZINC000778176152 628284170 /nfs/dbraw/zinc/28/41/70/628284170.db2.gz ADOUSBYOYBDVCR-UHFFFAOYSA-N 0 3 281.783 2.603 20 30 CFEDHN C=C(C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000778239142 628291316 /nfs/dbraw/zinc/29/13/16/628291316.db2.gz QJZTXARXLFAPTA-GFCCVEGCSA-N 0 3 299.399 2.980 20 30 CFEDHN C#CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000778948239 628341277 /nfs/dbraw/zinc/34/12/77/628341277.db2.gz KRRCXDHIZKQABW-UHFFFAOYSA-N 0 3 288.347 2.981 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000852097496 634651109 /nfs/dbraw/zinc/65/11/09/634651109.db2.gz PZVYUXUKBUMZIB-WMLDXEAASA-N 0 3 272.392 2.598 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000852097839 634651923 /nfs/dbraw/zinc/65/19/23/634651923.db2.gz XVTDNMQDJDCUHM-KBXCAEBGSA-N 0 3 286.419 2.818 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000852100715 634655722 /nfs/dbraw/zinc/65/57/22/634655722.db2.gz ZSXVVZUSSXRKLF-SUMWQHHRSA-N 0 3 290.382 2.737 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C(C)C)C1CCCC1 ZINC000852102278 634656572 /nfs/dbraw/zinc/65/65/72/634656572.db2.gz KTWALMVDGRSKLF-MRXNPFEDSA-N 0 3 264.413 2.558 20 30 CFEDHN C#CCCCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000780348965 628457532 /nfs/dbraw/zinc/45/75/32/628457532.db2.gz CFXAGUKMZWVLTO-UHFFFAOYSA-N 0 3 276.424 2.657 20 30 CFEDHN Cc1ccccc1[C@@H](CO)NCc1ccc(OCC#N)cc1 ZINC000782081257 628602367 /nfs/dbraw/zinc/60/23/67/628602367.db2.gz JKKDVHYHUPPDST-GOSISDBHSA-N 0 3 296.370 2.721 20 30 CFEDHN Cc1ccccc1[C@H](CO)NCc1ccc(OCC#N)cc1 ZINC000782081259 628602436 /nfs/dbraw/zinc/60/24/36/628602436.db2.gz JKKDVHYHUPPDST-SFHVURJKSA-N 0 3 296.370 2.721 20 30 CFEDHN C[C@@H](Cc1ccccc1F)NCc1ccc(C#N)cn1 ZINC000783300504 628698664 /nfs/dbraw/zinc/69/86/64/628698664.db2.gz NWOUPKZPEJAMGL-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1c2ccccc2CC[C@@H]1C ZINC000783531698 628717459 /nfs/dbraw/zinc/71/74/59/628717459.db2.gz KXZLNDKKDGKHCP-BBRMVZONSA-N 0 3 293.432 2.500 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783878678 628753082 /nfs/dbraw/zinc/75/30/82/628753082.db2.gz ZKOKLTOARVIXQU-VIFPVBQESA-N 0 3 262.744 2.561 20 30 CFEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000784489907 628821294 /nfs/dbraw/zinc/82/12/94/628821294.db2.gz ZRVHSXGJQYUYTM-MFKMUULPSA-N 0 3 273.311 2.744 20 30 CFEDHN CC[C@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000785721980 628907262 /nfs/dbraw/zinc/90/72/62/628907262.db2.gz FMHCDOXFHHIFJB-OAHLLOKOSA-N 0 3 272.348 2.741 20 30 CFEDHN CSC1(C(=O)C(C#N)c2nc(C)cs2)CCC1 ZINC000786270050 628946024 /nfs/dbraw/zinc/94/60/24/628946024.db2.gz JXFGWVPNUJWJKL-SECBINFHSA-N 0 3 266.391 2.914 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC(C)C)c1 ZINC000786544314 628967901 /nfs/dbraw/zinc/96/79/01/628967901.db2.gz VHIACBUYVDXKBO-OAHLLOKOSA-N 0 3 286.375 2.756 20 30 CFEDHN C#CCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786552775 628968443 /nfs/dbraw/zinc/96/84/43/628968443.db2.gz QEYXYHPFMQQKFN-MRXNPFEDSA-N 0 3 296.370 2.514 20 30 CFEDHN C=CCCOC(=O)CCN1CCc2ccccc2C1 ZINC000786813977 628980290 /nfs/dbraw/zinc/98/02/90/628980290.db2.gz BGDVEEKXPALPTB-UHFFFAOYSA-N 0 3 259.349 2.554 20 30 CFEDHN C=C(C)COC(=O)CCN1CCc2ccccc2C1 ZINC000786812099 628980349 /nfs/dbraw/zinc/98/03/49/628980349.db2.gz CYBSEAYKJHQWPD-UHFFFAOYSA-N 0 3 259.349 2.554 20 30 CFEDHN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787070490 628991362 /nfs/dbraw/zinc/99/13/62/628991362.db2.gz GHXAFIBJWPVUOX-VNQPRFMTSA-N 0 3 298.386 2.790 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000787997959 629047303 /nfs/dbraw/zinc/04/73/03/629047303.db2.gz TWGZOSHYHGPWNA-INIZCTEOSA-N 0 3 289.419 2.695 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000790308701 629230369 /nfs/dbraw/zinc/23/03/69/629230369.db2.gz LLUSIRGOWOKWMS-SNVBAGLBSA-N 0 3 294.330 2.862 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCCC2)CCC1 ZINC000790380423 629236288 /nfs/dbraw/zinc/23/62/88/629236288.db2.gz XLLRVFNIBFBLJU-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C[C@](C)(CCOC)COC(=O)C1CCN(C2CC2)CC1 ZINC000805926320 629244573 /nfs/dbraw/zinc/24/45/73/629244573.db2.gz YKYAVHHEMPWLCO-QGZVFWFLSA-N 0 3 295.423 2.633 20 30 CFEDHN CC(C)(C)OC(=O)NCCCN1CCC[C@H](CC#N)C1 ZINC000852319319 634719523 /nfs/dbraw/zinc/71/95/23/634719523.db2.gz KCCXRFVWJMWNFW-CYBMUJFWSA-N 0 3 281.400 2.527 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc3c(c2)COC3)C1 ZINC000852319195 634719720 /nfs/dbraw/zinc/71/97/20/634719720.db2.gz HVFVUVBHIAPQMY-ZDUSSCGKSA-N 0 3 256.349 2.842 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)OCc2ccccc2)C1 ZINC000852319751 634720704 /nfs/dbraw/zinc/72/07/04/634720704.db2.gz RIFQEOUIMJMONV-OAHLLOKOSA-N 0 3 286.375 2.746 20 30 CFEDHN COC1(CNCC#Cc2ccccc2)CCCCC1 ZINC000790968204 629275521 /nfs/dbraw/zinc/27/55/21/629275521.db2.gz SLDJSTQYWRKKFJ-UHFFFAOYSA-N 0 3 257.377 2.977 20 30 CFEDHN C#C[C@H](CCC)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000791031468 629283095 /nfs/dbraw/zinc/28/30/95/629283095.db2.gz LJWXDLIPBQVRAT-IKGGRYGDSA-N 0 3 299.418 2.533 20 30 CFEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000791584569 629336744 /nfs/dbraw/zinc/33/67/44/629336744.db2.gz PCFAYBWKAWQGDK-SWHYSGLUSA-N 0 3 298.308 2.864 20 30 CFEDHN C[C@H](C#N)OCCN1CCC=C(c2ccccc2)C1 ZINC000792934206 629468371 /nfs/dbraw/zinc/46/83/71/629468371.db2.gz UXFLZHGCHSJTHF-CQSZACIVSA-N 0 3 256.349 2.704 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OC2(CC#N)CCC2)c1 ZINC000835400616 629689597 /nfs/dbraw/zinc/68/95/97/629689597.db2.gz VIZDQPICBBXEEI-UHFFFAOYSA-N 0 3 272.348 2.741 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796631691 629942928 /nfs/dbraw/zinc/94/29/28/629942928.db2.gz IIFHLNKNVGHNFH-CMPLNLGQSA-N 0 3 292.285 2.769 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796631694 629943243 /nfs/dbraw/zinc/94/32/43/629943243.db2.gz IIFHLNKNVGHNFH-JQWIXIFHSA-N 0 3 292.285 2.769 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccccn2)C1 ZINC000799190145 630286249 /nfs/dbraw/zinc/28/62/49/630286249.db2.gz KYHRKNXTTLFVID-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@H](c2ccccn2)C1 ZINC000799196323 630288571 /nfs/dbraw/zinc/28/85/71/630288571.db2.gz MUJUOCASZNFZSG-INIZCTEOSA-N 0 3 293.370 2.822 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cn1 ZINC000799294173 630292806 /nfs/dbraw/zinc/29/28/06/630292806.db2.gz UCFCDCAHVRIKOD-QGZVFWFLSA-N 0 3 286.350 2.942 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(F)cn1 ZINC000799317796 630296529 /nfs/dbraw/zinc/29/65/29/630296529.db2.gz VVLUEELOANNFMI-MRXNPFEDSA-N 0 3 290.338 2.578 20 30 CFEDHN CCc1cccc(C)c1NNC1=CC(=O)N2CCCC12 ZINC000799493803 630315181 /nfs/dbraw/zinc/31/51/81/630315181.db2.gz PZWQBODZJRFHPC-AWEZNQCLSA-N 0 3 271.364 2.720 20 30 CFEDHN CCCCCCCS(=O)(=O)Nc1ccnc(N(C)C)c1 ZINC000799639195 630327366 /nfs/dbraw/zinc/32/73/66/630327366.db2.gz GECCQRNGDJIFDD-UHFFFAOYSA-N 0 3 299.440 2.860 20 30 CFEDHN C[C@H](C#N)OCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000801910677 630484882 /nfs/dbraw/zinc/48/48/82/630484882.db2.gz PIOHWPZKHVNBTK-MNOVXSKESA-N 0 3 268.307 2.886 20 30 CFEDHN C[C@H](C#N)OCCN(C)CCOc1cccc(Cl)c1 ZINC000801910368 630485127 /nfs/dbraw/zinc/48/51/27/630485127.db2.gz PYBMHKQVYIHWFD-GFCCVEGCSA-N 0 3 282.771 2.579 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(N(C)c2ccccc2)CC1 ZINC000801924997 630489378 /nfs/dbraw/zinc/48/93/78/630489378.db2.gz XSVOZKRBDGOMTQ-HNNXBMFYSA-N 0 3 287.407 2.516 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000801926774 630490244 /nfs/dbraw/zinc/49/02/44/630490244.db2.gz ZPAMWPANZXGQJT-RDBSUJKOSA-N 0 3 262.353 2.981 20 30 CFEDHN C[C@H](C#N)OCCN1Cc2ccccc2C(C)(C)C1 ZINC000801936781 630491383 /nfs/dbraw/zinc/49/13/83/630491383.db2.gz WOJPIESDJUEONP-CYBMUJFWSA-N 0 3 258.365 2.708 20 30 CFEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCO[C@@H](C)C#N ZINC000801952307 630494989 /nfs/dbraw/zinc/49/49/89/630494989.db2.gz SENSCRAXPGWQQS-SWLSCSKDSA-N 0 3 296.798 2.888 20 30 CFEDHN C=C(C)CCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000803504720 630623351 /nfs/dbraw/zinc/62/33/51/630623351.db2.gz OGPIXOMDBSKRIF-AWEZNQCLSA-N 0 3 251.370 2.903 20 30 CFEDHN C#CCCN(CCOC)CCSc1ccc(F)cc1 ZINC000852749825 634823168 /nfs/dbraw/zinc/82/31/68/634823168.db2.gz GZEJFXASXREDAB-UHFFFAOYSA-N 0 3 281.396 2.890 20 30 CFEDHN C#C[C@H](NC(=O)CN(C)CCC)c1ccc(Cl)cc1F ZINC000804421609 630680364 /nfs/dbraw/zinc/68/03/64/630680364.db2.gz ZKXKVUZHZSPESH-AWEZNQCLSA-N 0 3 296.773 2.611 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000807681221 630903025 /nfs/dbraw/zinc/90/30/25/630903025.db2.gz GDCUVFCTVSXBHL-ZIAGYGMSSA-N 0 3 276.380 2.629 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H](CO)C(C)C ZINC000808421417 630989243 /nfs/dbraw/zinc/98/92/43/630989243.db2.gz GRQVGISZZXXZGL-CYBMUJFWSA-N 0 3 295.810 2.706 20 30 CFEDHN CN(C)C[C@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC000837653424 631097291 /nfs/dbraw/zinc/09/72/91/631097291.db2.gz WYLBNBQAUPUCFK-HNNXBMFYSA-N 0 3 290.382 2.594 20 30 CFEDHN COc1ccc([C@@H]2CCCCCN2C[C@H](O)CC#N)cc1 ZINC000809571096 631237326 /nfs/dbraw/zinc/23/73/26/631237326.db2.gz JQMSXIHLMGXOFU-WBVHZDCISA-N 0 3 288.391 2.887 20 30 CFEDHN C#C[C@H](C)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000809683005 631260558 /nfs/dbraw/zinc/26/05/58/631260558.db2.gz LOWMEGLFBQDWJG-LBPRGKRZSA-N 0 3 259.349 2.753 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000809683572 631261285 /nfs/dbraw/zinc/26/12/85/631261285.db2.gz FMMYVBYDFDINAI-SNVBAGLBSA-N 0 3 270.298 2.883 20 30 CFEDHN CCc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000810218075 631344975 /nfs/dbraw/zinc/34/49/75/631344975.db2.gz OKRGSASLMVHBQA-MRXNPFEDSA-N 0 3 266.348 2.621 20 30 CFEDHN C[C@H]1C[C@H](NCC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000841898314 631491431 /nfs/dbraw/zinc/49/14/31/631491431.db2.gz MQLWYOGKKNDXME-RDJZCZTQSA-N 0 3 283.419 2.933 20 30 CFEDHN C[C@@H](C#N)COC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842325513 631593063 /nfs/dbraw/zinc/59/30/63/631593063.db2.gz ZGXXEMKGKOQLTO-AWEZNQCLSA-N 0 3 286.375 2.989 20 30 CFEDHN C#C[C@H](NCc1cnn(-c2ccccc2C)c1)C(C)C ZINC000843408562 631946756 /nfs/dbraw/zinc/94/67/56/631946756.db2.gz HIOWLKOVLIBQHW-INIZCTEOSA-N 0 3 267.376 2.928 20 30 CFEDHN CCCCCCCCOCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000814142976 632017242 /nfs/dbraw/zinc/01/72/42/632017242.db2.gz IHZKQQYEAXKUSC-CVEARBPZSA-N 0 3 296.455 2.526 20 30 CFEDHN CCCCCCCCOCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000814142979 632018825 /nfs/dbraw/zinc/01/88/25/632018825.db2.gz IHZKQQYEAXKUSC-JKSUJKDBSA-N 0 3 296.455 2.526 20 30 CFEDHN C#CCOc1ccccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000814178111 632024248 /nfs/dbraw/zinc/02/42/48/632024248.db2.gz CERGBTCEPYWZKA-SFHVURJKSA-N 0 3 299.414 2.947 20 30 CFEDHN CCCN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCN(C)C1 ZINC000843991090 632089752 /nfs/dbraw/zinc/08/97/52/632089752.db2.gz IGNJTTVMYHTTDU-KBOKABMXSA-N 0 3 297.402 2.514 20 30 CFEDHN c1cc2c(s1)CCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000814886209 632149358 /nfs/dbraw/zinc/14/93/58/632149358.db2.gz VDLXJLXCAXSHGL-BETUJISGSA-N 0 3 288.420 2.649 20 30 CFEDHN CN(CC1=CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370009 632182189 /nfs/dbraw/zinc/18/21/89/632182189.db2.gz TYSIWMHKAWQPHK-MRXNPFEDSA-N 0 3 256.349 2.634 20 30 CFEDHN C=CCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844370221 632183648 /nfs/dbraw/zinc/18/36/48/632183648.db2.gz FTDIQOFYFNYTED-CQSZACIVSA-N 0 3 251.757 2.809 20 30 CFEDHN CC[C@H](NCCOCCC#N)c1ccccc1OC ZINC000815081751 632198095 /nfs/dbraw/zinc/19/80/95/632198095.db2.gz NCUNCGOEHAVFPQ-AWEZNQCLSA-N 0 3 262.353 2.666 20 30 CFEDHN COc1ccc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1C#N ZINC000815147854 632217802 /nfs/dbraw/zinc/21/78/02/632217802.db2.gz HFRRZGXXENBYNW-LLVKDONJSA-N 0 3 283.331 2.518 20 30 CFEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1C ZINC000815163042 632221643 /nfs/dbraw/zinc/22/16/43/632221643.db2.gz GXTFBIQJYOZVHX-OLZOCXBDSA-N 0 3 280.375 2.799 20 30 CFEDHN C=C(C)CON=Cc1ccc(N(CC)CCO)cc1C ZINC000844615752 632263618 /nfs/dbraw/zinc/26/36/18/632263618.db2.gz ZTBUXOMRPFPFEZ-UHFFFAOYSA-N 0 3 276.380 2.740 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000815600928 632296793 /nfs/dbraw/zinc/29/67/93/632296793.db2.gz IXIHGNZNFNPJFO-UONOGXRCSA-N 0 3 263.381 2.844 20 30 CFEDHN COc1ccc(CNCc2ccc(C#N)cc2F)c(O)c1 ZINC000105642621 632323911 /nfs/dbraw/zinc/32/39/11/632323911.db2.gz UKTTUSSDXUNBEN-UHFFFAOYSA-N 0 3 286.306 2.701 20 30 CFEDHN N#CC1(CC(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000816011925 632353557 /nfs/dbraw/zinc/35/35/57/632353557.db2.gz CSNWOOJBFCOGLT-MRXNPFEDSA-N 0 3 298.386 2.888 20 30 CFEDHN C=C(C)CONC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000845598742 632477799 /nfs/dbraw/zinc/47/77/99/632477799.db2.gz UWFKNISFWHKCEE-UHFFFAOYSA-N 0 3 297.443 2.648 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845729546 632536269 /nfs/dbraw/zinc/53/62/69/632536269.db2.gz ATCYQDPQSNWMSZ-CZUORRHYSA-N 0 3 283.412 2.631 20 30 CFEDHN CC(C)(C)N1CC[C@H]1COC(=O)CCCCCC#N ZINC000845729435 632536533 /nfs/dbraw/zinc/53/65/33/632536533.db2.gz NSAZQNRBNFBPLV-ZDUSSCGKSA-N 0 3 266.385 2.876 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1COC(=O)CCCCCC#N ZINC000845729434 632537044 /nfs/dbraw/zinc/53/70/44/632537044.db2.gz NSAZQNRBNFBPLV-CYBMUJFWSA-N 0 3 266.385 2.876 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000817280570 632593087 /nfs/dbraw/zinc/59/30/87/632593087.db2.gz APGONONIJNKHLT-GHMZBOCLSA-N 0 3 264.291 2.579 20 30 CFEDHN C[NH+](C)[C@H]1C[C@@H](C/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000846756931 632787758 /nfs/dbraw/zinc/78/77/58/632787758.db2.gz PLDAHDNUKHKSHB-LYRNTEOLSA-N 0 3 266.772 2.805 20 30 CFEDHN CN(C(=O)[C@H](N)CCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000818089518 632798117 /nfs/dbraw/zinc/79/81/17/632798117.db2.gz XDZCVBVWPMPHMY-OAHLLOKOSA-N 0 3 287.407 2.968 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](N)CCCC#N ZINC000818094886 632800670 /nfs/dbraw/zinc/80/06/70/632800670.db2.gz ZDJFPSGQKGKHBA-ZNMIVQPWSA-N 0 3 293.455 2.976 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000818118683 632803565 /nfs/dbraw/zinc/80/35/65/632803565.db2.gz UNAFOQOZDIYGKL-IRXDYDNUSA-N 0 3 298.430 2.610 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(OC)OC)ccc1F ZINC000818215696 632814751 /nfs/dbraw/zinc/81/47/51/632814751.db2.gz MPWUHPIGHSJBPU-CABCVRRESA-N 0 3 295.354 2.550 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000818346363 632834958 /nfs/dbraw/zinc/83/49/58/632834958.db2.gz DCZKSLQFWUJSIH-XEZPLFJOSA-N 0 3 261.365 2.942 20 30 CFEDHN CCN(Cc1ccc(C#N)cn1)[C@H](C)[C@H](O)c1ccccc1 ZINC000846913290 632843591 /nfs/dbraw/zinc/84/35/91/632843591.db2.gz RUFLFZXYBXBQGE-KDOFPFPSSA-N 0 3 295.386 2.897 20 30 CFEDHN C#C[C@H]1CCCN([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000847021330 632885290 /nfs/dbraw/zinc/88/52/90/632885290.db2.gz JNGPETNZVHMNTH-FUHWJXTLSA-N 0 3 296.414 2.523 20 30 CFEDHN C#C[C@@H]1CCCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000847020585 632885933 /nfs/dbraw/zinc/88/59/33/632885933.db2.gz BVKLFAHNXXRLKS-OAHLLOKOSA-N 0 3 255.361 2.913 20 30 CFEDHN C#C[C@H]1CCCN(Cc2nc3ccccc3nc2C)C1 ZINC000847025787 632892609 /nfs/dbraw/zinc/89/26/09/632892609.db2.gz DGYHVAOEQIILOB-AWEZNQCLSA-N 0 3 265.360 2.783 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)CC1CCCC1 ZINC000819072357 632952692 /nfs/dbraw/zinc/95/26/92/632952692.db2.gz KPXMTYMXMKXWHB-QGZVFWFLSA-N 0 3 287.403 2.729 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)c(C)c2)CC1 ZINC000847241635 632959092 /nfs/dbraw/zinc/95/90/92/632959092.db2.gz IGYVRCDNLCFDIS-UHFFFAOYSA-N 0 3 290.794 2.932 20 30 CFEDHN C#CCCC[C@@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000847866314 633117001 /nfs/dbraw/zinc/11/70/01/633117001.db2.gz MGRALPZPWUWNAQ-CYBMUJFWSA-N 0 3 263.381 2.596 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)OC[C@H](C)N1CCCCC1 ZINC000847963998 633170889 /nfs/dbraw/zinc/17/08/89/633170889.db2.gz VMPJFQKIYPTTQW-GOEBONIOSA-N 0 3 283.412 2.633 20 30 CFEDHN C#C[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000848286621 633233863 /nfs/dbraw/zinc/23/38/63/633233863.db2.gz HTNFDOQVGGKDIB-WMZOPIPTSA-N 0 3 296.414 2.523 20 30 CFEDHN Clc1ccc(N=NC2CCCN3CCCC[C@@H]23)nn1 ZINC000848398779 633248967 /nfs/dbraw/zinc/24/89/67/633248967.db2.gz FBAOBQIMQWMVKI-NSHDSACASA-N 0 3 279.775 2.546 20 30 CFEDHN N#Cc1cccc(N=NC2CCCN3CCCC[C@H]23)c1 ZINC000848403831 633249286 /nfs/dbraw/zinc/24/92/86/633249286.db2.gz AEULNISIJFBXMS-MRXNPFEDSA-N 0 3 268.364 2.974 20 30 CFEDHN Cn1c2ccccc2nc1N=NC1CCCN2CCCC[C@H]12 ZINC000848403410 633249539 /nfs/dbraw/zinc/24/95/39/633249539.db2.gz SQKBGXPOMFAFHY-MRXNPFEDSA-N 0 3 297.406 2.990 20 30 CFEDHN Cc1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848405589 633250168 /nfs/dbraw/zinc/25/01/68/633250168.db2.gz QGBJJKZGYPNBLQ-CQSZACIVSA-N 0 3 258.369 2.806 20 30 CFEDHN Cc1nc(Cl)cc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848405836 633250487 /nfs/dbraw/zinc/25/04/87/633250487.db2.gz AVHBVGABXAAHPH-GFCCVEGCSA-N 0 3 293.802 2.855 20 30 CFEDHN Clc1cnccc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848408037 633251034 /nfs/dbraw/zinc/25/10/34/633251034.db2.gz YNBMITVSMUUBND-AWEZNQCLSA-N 0 3 278.787 2.573 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](C#C)C1 ZINC000848923549 633406314 /nfs/dbraw/zinc/40/63/14/633406314.db2.gz NCATUOHJOIKVRB-HNNXBMFYSA-N 0 3 253.345 2.544 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000848924778 633407723 /nfs/dbraw/zinc/40/77/23/633407723.db2.gz ZZJUXBIUFLMZRY-CQSZACIVSA-N 0 3 283.375 2.834 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(N(CCC)CCC)cc1 ZINC000850410547 633982306 /nfs/dbraw/zinc/98/23/06/633982306.db2.gz PROSHTWBWZIFNG-MRXNPFEDSA-N 0 3 276.424 2.950 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCF)cc1 ZINC000850759124 634081697 /nfs/dbraw/zinc/08/16/97/634081697.db2.gz GIACESIJFZFWQC-CYBMUJFWSA-N 0 3 276.311 2.646 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/CCOCCF)c([O-])c1 ZINC000852999076 634871277 /nfs/dbraw/zinc/87/12/77/634871277.db2.gz VMIGBAWDBXLWKY-SFQUDFHCSA-N 0 3 282.359 2.643 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853284242 634958281 /nfs/dbraw/zinc/95/82/81/634958281.db2.gz VCCJEJLATNVDKF-UBSAEIQESA-N 0 3 252.321 2.825 20 30 CFEDHN C#CCCCOc1cccnc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000853435283 634998561 /nfs/dbraw/zinc/99/85/61/634998561.db2.gz JMPBSXWTNAEGFK-HUUCEWRRSA-N 0 3 299.418 2.911 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](CCC)CC1=O ZINC000853597517 635044757 /nfs/dbraw/zinc/04/47/57/635044757.db2.gz AUHAUEVLPOVBLT-KFWWJZLASA-N 0 3 262.397 2.776 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000855393278 635529855 /nfs/dbraw/zinc/52/98/55/635529855.db2.gz QYKCQHASASSRDL-HUUCEWRRSA-N 0 3 290.451 2.520 20 30 CFEDHN C=CCCO[N-]C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000856030533 635705390 /nfs/dbraw/zinc/70/53/90/635705390.db2.gz HVSJMBQMYHUSNV-INIZCTEOSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCCO[N-]C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000856030533 635705396 /nfs/dbraw/zinc/70/53/96/635705396.db2.gz HVSJMBQMYHUSNV-INIZCTEOSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C(\C)c2cccs2)CC1 ZINC000857118024 635931887 /nfs/dbraw/zinc/93/18/87/635931887.db2.gz AKIYFXOOXJQNNV-OUKQBFOZSA-N 0 3 290.432 2.918 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN([C@@H]3CC[C@H](C#N)C3)C2)nc1 ZINC000858039711 636118293 /nfs/dbraw/zinc/11/82/93/636118293.db2.gz HHJSYAKEEHMYJA-RRFJBIMHSA-N 0 3 271.364 2.535 20 30 CFEDHN C=CCOCCN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050176 636119386 /nfs/dbraw/zinc/11/93/86/636119386.db2.gz DJTJKBDMZOODDI-MRXNPFEDSA-N 0 3 288.391 2.615 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000858333386 636192984 /nfs/dbraw/zinc/19/29/84/636192984.db2.gz DYYYVGQYPHPWTA-LBPRGKRZSA-N 0 3 296.754 2.766 20 30 CFEDHN C#CC[C@H](COC)NCc1cc(C)cc(Br)c1 ZINC000858335251 636195841 /nfs/dbraw/zinc/19/58/41/636195841.db2.gz QUFFGTMLUNEBCU-CQSZACIVSA-N 0 3 296.208 2.885 20 30 CFEDHN C[C@@H](NCc1ccc[nH]c1=O)c1ccc(OCC#N)cc1 ZINC000858562058 636294264 /nfs/dbraw/zinc/29/42/64/636294264.db2.gz BNSAATOBIZWVED-GFCCVEGCSA-N 0 3 283.331 2.540 20 30 CFEDHN CCCCCCCCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000116309158 636336843 /nfs/dbraw/zinc/33/68/43/636336843.db2.gz AFOFPQZZBKMLTG-ZIAGYGMSSA-N 0 3 254.418 2.946 20 30 CFEDHN C#CCCOC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 ZINC000858875312 636366219 /nfs/dbraw/zinc/36/62/19/636366219.db2.gz YOEDHKDMMZMKNE-DOTOQJQBSA-N 0 3 298.386 2.763 20 30 CFEDHN C#CCCOC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000858880000 636368428 /nfs/dbraw/zinc/36/84/28/636368428.db2.gz HWWXHCTUQICSMP-INIZCTEOSA-N 0 3 286.375 2.573 20 30 CFEDHN C#CCCOC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000858914840 636381670 /nfs/dbraw/zinc/38/16/70/636381670.db2.gz CPMQBPXKNQHTDR-ZBFHGGJFSA-N 0 3 286.375 2.571 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116592950 636479790 /nfs/dbraw/zinc/47/97/90/636479790.db2.gz DLUKBIHZVXSHFE-BXUZGUMPSA-N 0 3 290.338 2.553 20 30 CFEDHN CC[C@@H](CC#N)NCCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859328826 636544406 /nfs/dbraw/zinc/54/44/06/636544406.db2.gz KLIFBAMLDJRTFD-ZDUSSCGKSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCCCCCC)C1 ZINC000859443710 636564460 /nfs/dbraw/zinc/56/44/60/636564460.db2.gz QDCYYJRHJPTDHJ-AWEZNQCLSA-N 0 3 252.402 2.581 20 30 CFEDHN C#CCCCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000859442144 636564590 /nfs/dbraw/zinc/56/45/90/636564590.db2.gz IAHPWPKGSGHTAE-UHFFFAOYSA-N 0 3 257.381 2.546 20 30 CFEDHN CN(Cc1ccc(F)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048875356 650282036 /nfs/dbraw/zinc/28/20/36/650282036.db2.gz LHXZYENXYBEHGT-QGZVFWFLSA-N 0 3 284.334 2.863 20 30 CFEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1ccns1 ZINC000860053430 636770840 /nfs/dbraw/zinc/77/08/40/636770840.db2.gz VQUUKMVCTBUFKE-LLVKDONJSA-N 0 3 273.361 2.744 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860463570 636891279 /nfs/dbraw/zinc/89/12/79/636891279.db2.gz DSGXOVXVXPKDMX-OLZOCXBDSA-N 0 3 290.363 2.788 20 30 CFEDHN Cc1ccc2occ(CC(=O)C(C#N)C(=O)NC(C)C)c2c1 ZINC000860472359 636892494 /nfs/dbraw/zinc/89/24/94/636892494.db2.gz IJBXRVZDAADMEY-CQSZACIVSA-N 0 3 298.342 2.517 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000861837591 637243382 /nfs/dbraw/zinc/24/33/82/637243382.db2.gz GBKIAIQUELZORV-QZTJIDSGSA-N 0 3 298.430 2.642 20 30 CFEDHN CCN(C(=O)/C=C\c1ccccc1C#N)C1CCN(C)CC1 ZINC000861893004 637252517 /nfs/dbraw/zinc/25/25/17/637252517.db2.gz ASOIRUUAJUATRV-HJWRWDBZSA-N 0 3 297.402 2.514 20 30 CFEDHN CCCCCCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000862356186 637330475 /nfs/dbraw/zinc/33/04/75/637330475.db2.gz DMHMWODQVLRFHS-AWEZNQCLSA-N 0 3 252.402 2.700 20 30 CFEDHN C#C[C@H](NCc1c(C)[nH]c(C(=O)OCC)c1C)C(C)C ZINC000862363794 637336170 /nfs/dbraw/zinc/33/61/70/637336170.db2.gz VAZXDSSUARQXID-AWEZNQCLSA-N 0 3 276.380 2.556 20 30 CFEDHN C#CC[C@@H](COC)NCc1cscc1C(F)(F)F ZINC000862550031 637422930 /nfs/dbraw/zinc/42/29/30/637422930.db2.gz IAWZFDQAHZNTPJ-JTQLQIEISA-N 0 3 277.311 2.895 20 30 CFEDHN Cc1cc(NN=Cc2scnc2C2CC2)ccn1 ZINC000863159142 637572601 /nfs/dbraw/zinc/57/26/01/637572601.db2.gz FKVQONGZZIRNFG-UHFFFAOYSA-N 0 3 258.350 2.592 20 30 CFEDHN Cc1cc(NN=Cc2cnc(C3CC3)s2)ccn1 ZINC000863159204 637572612 /nfs/dbraw/zinc/57/26/12/637572612.db2.gz HNEMFNICOPKQIK-UHFFFAOYSA-N 0 3 258.350 2.592 20 30 CFEDHN COCCC(=NNc1ccnc(C)c1)c1ccc(F)cc1 ZINC000863158663 637573173 /nfs/dbraw/zinc/57/31/73/637573173.db2.gz LCOYLLOVNRGCON-UHFFFAOYSA-N 0 3 287.338 2.804 20 30 CFEDHN C#CCN(CC[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000188914322 650349846 /nfs/dbraw/zinc/34/98/46/650349846.db2.gz MUHRPTBFDWOIGY-MRXNPFEDSA-N 0 3 261.340 2.830 20 30 CFEDHN C=CCC[C@@H](CCC)N[C@H](C)c1nnnn1C1CC1 ZINC000189114977 650361076 /nfs/dbraw/zinc/36/10/76/650361076.db2.gz ZIIGKGQNNMSADG-VXGBXAGGSA-N 0 3 263.389 2.794 20 30 CFEDHN CCN1CCC[C@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865404169 638313733 /nfs/dbraw/zinc/31/37/33/638313733.db2.gz DTOXQCGIDRADMH-NSHDSACASA-N 0 3 292.314 2.502 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCCOC1CCCC1 ZINC000865434764 638332274 /nfs/dbraw/zinc/33/22/74/638332274.db2.gz QYZWZWFMBIZIAV-UHFFFAOYSA-N 0 3 287.407 2.673 20 30 CFEDHN C=CC[C@H](C)NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865469409 638356275 /nfs/dbraw/zinc/35/62/75/638356275.db2.gz NQQWVARWAYLYBV-NSHDSACASA-N 0 3 292.383 2.878 20 30 CFEDHN C=CCCCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865548056 638414286 /nfs/dbraw/zinc/41/42/86/638414286.db2.gz UNMDHHYTIGUPCW-UHFFFAOYSA-N 0 3 292.383 2.879 20 30 CFEDHN C=CCCSCCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865624010 638469931 /nfs/dbraw/zinc/46/99/31/638469931.db2.gz UZZKADPDHMARAN-UHFFFAOYSA-N 0 3 278.377 2.932 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCC1=CCCC1 ZINC000865631052 638475696 /nfs/dbraw/zinc/47/56/96/638475696.db2.gz CAHSBDMKVRKSCB-UHFFFAOYSA-N 0 3 255.365 2.824 20 30 CFEDHN CN(CCC#N)c1ccc(CNCc2ccnc(F)c2)cc1 ZINC000865721724 638534982 /nfs/dbraw/zinc/53/49/82/638534982.db2.gz BCRLYGIYJFBZDN-UHFFFAOYSA-N 0 3 298.365 2.860 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2cc(C(=O)OCC)no2)C1 ZINC000865763830 638561058 /nfs/dbraw/zinc/56/10/58/638561058.db2.gz OSEYCXHFVAEETN-NEPJUHHUSA-N 0 3 278.352 2.686 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@H](NCc1ccncc1Cl)C2 ZINC000865847075 638609788 /nfs/dbraw/zinc/60/97/88/638609788.db2.gz FZDMTPQZJVPUDN-OAHLLOKOSA-N 0 3 283.762 2.864 20 30 CFEDHN C[C@H](N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccc(C#N)cc1F ZINC000866445812 638823051 /nfs/dbraw/zinc/82/30/51/638823051.db2.gz SEBWBTODPWRTRI-NPMCYHTCSA-N 0 3 286.350 2.771 20 30 CFEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nccs1 ZINC000866618205 638856161 /nfs/dbraw/zinc/85/61/61/638856161.db2.gz WWUCHTKKYCMGQU-QMTHXVAHSA-N 0 3 269.373 2.833 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCCCC2CC2)CC1 ZINC000868221539 638930995 /nfs/dbraw/zinc/93/09/95/638930995.db2.gz JMIYKNVFNWEJOB-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001017900961 651261050 /nfs/dbraw/zinc/26/10/50/651261050.db2.gz AXJSQHONXZDAON-BETUJISGSA-N 0 3 286.366 2.673 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccco1 ZINC000193264504 650639589 /nfs/dbraw/zinc/63/95/89/650639589.db2.gz BVBLBTSHJYZEPG-CYBMUJFWSA-N 0 3 293.326 2.975 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123741537 641403118 /nfs/dbraw/zinc/40/31/18/641403118.db2.gz AVYVBCARUKIRJX-UHFFFAOYSA-N 0 3 282.391 2.772 20 30 CFEDHN C=CCOCCN[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871881252 641497198 /nfs/dbraw/zinc/49/71/98/641497198.db2.gz NJORTVKAFYBOCL-HNNXBMFYSA-N 0 3 276.380 2.504 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(O)c1F ZINC000872077036 641608733 /nfs/dbraw/zinc/60/87/33/641608733.db2.gz XTQQTNHSIARRMW-QKCSRTOESA-N 0 3 265.328 2.916 20 30 CFEDHN C[C@@H]1C(N=Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000872365464 641771604 /nfs/dbraw/zinc/77/16/04/641771604.db2.gz SCXUKPHAUUKAEW-SECBINFHSA-N 0 3 262.744 2.704 20 30 CFEDHN COc1ccc(C(C)=NN2CCC2)cc1CN1CCCC1 ZINC000872395858 641791130 /nfs/dbraw/zinc/79/11/30/641791130.db2.gz HHORBTWMYYAZBW-UHFFFAOYSA-N 0 3 287.407 2.721 20 30 CFEDHN CN1CCC[C@@H]2[C@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780987 641934773 /nfs/dbraw/zinc/93/47/73/641934773.db2.gz OWOPUZYHZZVGAD-HUUCEWRRSA-N 0 3 298.434 2.924 20 30 CFEDHN C#C[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000873198249 642063164 /nfs/dbraw/zinc/06/31/64/642063164.db2.gz AQUMUHYSPCOAQU-JOCQHMNTSA-N 0 3 259.349 2.682 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CCC)CC1 ZINC000874436909 642384841 /nfs/dbraw/zinc/38/48/41/642384841.db2.gz XKHDFQIFPLLCDK-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN N#Cc1cc2ccccc2nc1N[C@H]1CCN(C2CC2)C1 ZINC000083686369 650766162 /nfs/dbraw/zinc/76/61/62/650766162.db2.gz CMSUYLVPBYYODO-AWEZNQCLSA-N 0 3 278.359 2.755 20 30 CFEDHN C=C(Br)CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC000125199636 642540425 /nfs/dbraw/zinc/54/04/25/642540425.db2.gz LGEPWEJUSSKJHO-KOLCDFICSA-N 0 3 262.191 2.688 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC1(C)C ZINC000125907949 642847485 /nfs/dbraw/zinc/84/74/85/642847485.db2.gz MSMCIQBMBZWINA-WDEREUQCSA-N 0 3 267.332 2.796 20 30 CFEDHN CC[C@H](C#N)Oc1cc(CNCc2cc[nH]c2)ccc1OC ZINC000086254024 650795678 /nfs/dbraw/zinc/79/56/78/650795678.db2.gz BYRAZTAPAAWTQD-OAHLLOKOSA-N 0 3 299.374 2.994 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(SC)c1 ZINC000876545306 642913294 /nfs/dbraw/zinc/91/32/94/642913294.db2.gz CZAVFICUUYNECU-NSHDSACASA-N 0 3 270.785 2.817 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000876553815 642919181 /nfs/dbraw/zinc/91/91/81/642919181.db2.gz ZINQWDKPCZACOZ-AWEZNQCLSA-N 0 3 280.799 2.677 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000876554944 642919354 /nfs/dbraw/zinc/91/93/54/642919354.db2.gz KUGJNNWQKDYOFG-GFCCVEGCSA-N 0 3 287.190 2.768 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000876561053 642923035 /nfs/dbraw/zinc/92/30/35/642923035.db2.gz IZILUBALQJFOOR-KBPBESRZSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1cccs1 ZINC000876562856 642923977 /nfs/dbraw/zinc/92/39/77/642923977.db2.gz UMKAUSIMOSSCSO-NSHDSACASA-N 0 3 272.801 2.567 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000876571148 642929462 /nfs/dbraw/zinc/92/94/62/642929462.db2.gz HAOAYTMJIVAWLQ-ZIAGYGMSSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000876576515 642931283 /nfs/dbraw/zinc/93/12/83/642931283.db2.gz IJIVMWSJUSBJBC-SMDDNHRTSA-N 0 3 296.798 2.685 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCCCC)C(C)C ZINC000876593959 642938125 /nfs/dbraw/zinc/93/81/25/642938125.db2.gz NWPICBPEQPWYMB-GFCCVEGCSA-N 0 3 260.809 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000876595540 642938619 /nfs/dbraw/zinc/93/86/19/642938619.db2.gz HNLDCSWPERBACD-UWVGGRQHSA-N 0 3 272.801 2.737 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000876623010 642949463 /nfs/dbraw/zinc/94/94/63/642949463.db2.gz UTEWHAWSCXUJTE-CYBMUJFWSA-N 0 3 296.773 2.791 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000876637596 642953244 /nfs/dbraw/zinc/95/32/44/642953244.db2.gz PTIIAQRLXFYWED-GXTWGEPZSA-N 0 3 294.826 2.939 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(C)CCC(C)CC1 ZINC000876637511 642953291 /nfs/dbraw/zinc/95/32/91/642953291.db2.gz XRPUKALZTFJBDL-DMLGSKKGSA-N 0 3 258.793 2.541 20 30 CFEDHN C#CCN(CCC[C@@H]1CCO1)Cc1ccc(F)cc1 ZINC000876643085 642955193 /nfs/dbraw/zinc/95/51/93/642955193.db2.gz SVTGBIIFKHLBNV-MRXNPFEDSA-N 0 3 261.340 2.830 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000876643228 642956552 /nfs/dbraw/zinc/95/65/52/642956552.db2.gz ALRXPIFOZYQKPL-QMMMGPOBSA-N 0 3 287.816 2.849 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)Cc1ccccc1C ZINC000876646349 642957130 /nfs/dbraw/zinc/95/71/30/642957130.db2.gz URJFFUUCUFPHLE-CQSZACIVSA-N 0 3 294.826 2.902 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCC(C)(C)C ZINC000876647112 642957343 /nfs/dbraw/zinc/95/73/43/642957343.db2.gz GEACAQBZEQADPP-LLVKDONJSA-N 0 3 260.809 2.789 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccc(C)cc1 ZINC000876647782 642958176 /nfs/dbraw/zinc/95/81/76/642958176.db2.gz PVKZRWLQRFPWRJ-CQSZACIVSA-N 0 3 294.826 2.859 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1CC ZINC000876663692 642962456 /nfs/dbraw/zinc/96/24/56/642962456.db2.gz BFDRBLSUIIRBDJ-CABCVRRESA-N 0 3 292.810 2.992 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCCC1(C)C ZINC000876668078 642964559 /nfs/dbraw/zinc/96/45/59/642964559.db2.gz GJVCDWNDCVQIEZ-GHMZBOCLSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1cccc(C)c1 ZINC000876673504 642967367 /nfs/dbraw/zinc/96/73/67/642967367.db2.gz YAXMBEVICYLQNT-CYBMUJFWSA-N 0 3 280.799 2.816 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000876673361 642967452 /nfs/dbraw/zinc/96/74/52/642967452.db2.gz MUFKBKBOFDCLPN-ZDUSSCGKSA-N 0 3 298.789 2.689 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000876679155 642969503 /nfs/dbraw/zinc/96/95/03/642969503.db2.gz MPTJSDCAZROQBR-RISCZKNCSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000876679156 642969706 /nfs/dbraw/zinc/96/97/06/642969706.db2.gz MPTJSDCAZROQBR-SMDDNHRTSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC2(C1)CCCCC2 ZINC000876684904 642972053 /nfs/dbraw/zinc/97/20/53/642972053.db2.gz VIKRFGDDPNILBN-GFCCVEGCSA-N 0 3 270.804 2.639 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)c2ccccc21 ZINC000876687266 642973051 /nfs/dbraw/zinc/97/30/51/642973051.db2.gz HKGURHSLQYFCCM-LBPRGKRZSA-N 0 3 278.783 2.781 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000876688917 642973793 /nfs/dbraw/zinc/97/37/93/642973793.db2.gz YHMAMYPTUONFIX-GDBMZVCRSA-N 0 3 292.810 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000876702244 642980290 /nfs/dbraw/zinc/98/02/90/642980290.db2.gz MAWDUQWZPIIWLU-VHSXEESVSA-N 0 3 298.736 2.694 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000876765792 643001270 /nfs/dbraw/zinc/00/12/70/643001270.db2.gz XYBVAXUBUHYHIO-CHWSQXEVSA-N 0 3 295.814 2.673 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ncccc1C)C(C)C ZINC000876765795 643001324 /nfs/dbraw/zinc/00/13/24/643001324.db2.gz XYBVAXUBUHYHIO-STQMWFEESA-N 0 3 295.814 2.673 20 30 CFEDHN C#CCCCCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000876767017 643001552 /nfs/dbraw/zinc/00/15/52/643001552.db2.gz YUFOXJDBJFMATD-HZPDHXFCSA-N 0 3 299.480 2.858 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC000876885793 643051317 /nfs/dbraw/zinc/05/13/17/643051317.db2.gz QBLSUTGAFPFYHK-KGLIPLIRSA-N 0 3 295.814 2.851 20 30 CFEDHN C#CCN(CCCc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000126222123 643054506 /nfs/dbraw/zinc/05/45/06/643054506.db2.gz MZHSOBMMEYUQFS-UHFFFAOYSA-N 0 3 285.366 2.627 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cc(C)ccc1F ZINC000876892455 643054702 /nfs/dbraw/zinc/05/47/02/643054702.db2.gz PDUAQASNGGHGKE-CYBMUJFWSA-N 0 3 284.762 2.562 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)Cc1ccccc1C ZINC000876910636 643060979 /nfs/dbraw/zinc/06/09/79/643060979.db2.gz IALLYKDDAQUFAL-ZFWWWQNUSA-N 0 3 294.826 2.854 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(C(C)C)c(C)s1 ZINC000876960405 643081887 /nfs/dbraw/zinc/08/18/87/643081887.db2.gz XYXFMFVXBVJPPF-VIFPVBQESA-N 0 3 287.816 2.983 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)C1CCCCC1 ZINC000876977085 643090038 /nfs/dbraw/zinc/09/00/38/643090038.db2.gz WMTFPNYSNMHOQV-MFKMUULPSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1[C@H](CC)CCC[C@@H]1C ZINC000876976712 643090736 /nfs/dbraw/zinc/09/07/36/643090736.db2.gz RIISDJHJTVQAJT-QJPTWQEYSA-N 0 3 258.793 2.636 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000876982073 643091127 /nfs/dbraw/zinc/09/11/27/643091127.db2.gz UXPKVLZGPVEJMR-CXOJTPOUSA-N 0 3 290.794 2.604 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)CCc1ccccc1 ZINC000877003736 643100750 /nfs/dbraw/zinc/10/07/50/643100750.db2.gz AHNMJPXUTYICHR-LSDHHAIUSA-N 0 3 294.826 2.984 20 30 CFEDHN C[C@]1(CNCc2cc(C#N)cnc2Cl)CCCC[C@H]1O ZINC000877081717 643140349 /nfs/dbraw/zinc/14/03/49/643140349.db2.gz QWCYLHIBJYPIEJ-UKRRQHHQSA-N 0 3 293.798 2.637 20 30 CFEDHN C[C@H](C[C@H](O)c1cccs1)NCc1cccc(C#N)n1 ZINC000877129246 643167770 /nfs/dbraw/zinc/16/77/70/643167770.db2.gz MAJNFROXXBOGTK-RISCZKNCSA-N 0 3 287.388 2.617 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN(C)C[C@H]2CCCO2)cc1 ZINC000245510687 650818976 /nfs/dbraw/zinc/81/89/76/650818976.db2.gz WRMXKSMCVAGPSY-CZUORRHYSA-N 0 3 274.364 2.588 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877139228 643173743 /nfs/dbraw/zinc/17/37/43/643173743.db2.gz ZUNRPRBYTCWRRL-JIMOISOXSA-N 0 3 293.798 2.756 20 30 CFEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@@H]1CCCOC1 ZINC000877182790 643193456 /nfs/dbraw/zinc/19/34/56/643193456.db2.gz SHIZTHMQTYQEKP-CMPLNLGQSA-N 0 3 279.771 2.511 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN(C)CCc1ccccn1 ZINC000877318068 643235167 /nfs/dbraw/zinc/23/51/67/643235167.db2.gz LYJNAARKFWPYNX-UHFFFAOYSA-N 0 3 294.402 2.694 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1ccc(F)c(C)c1 ZINC000877453554 643276845 /nfs/dbraw/zinc/27/68/45/643276845.db2.gz BJEAHCUMVJWCKP-ZDUSSCGKSA-N 0 3 284.762 2.957 20 30 CFEDHN C#CCCCCCCN(CCO)Cc1ccc(C)o1 ZINC000877491976 643306629 /nfs/dbraw/zinc/30/66/29/643306629.db2.gz DBSLOZBUYLEARY-UHFFFAOYSA-N 0 3 263.381 2.966 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCCC2(F)CCC2)c1 ZINC000877533956 643337921 /nfs/dbraw/zinc/33/79/21/643337921.db2.gz VLNNLRLQRBBMIN-UHFFFAOYSA-N 0 3 267.735 2.979 20 30 CFEDHN Cc1cccnc1CCNCc1cc(C#N)cnc1Cl ZINC000877565669 643365758 /nfs/dbraw/zinc/36/57/58/643365758.db2.gz MTIHQPIGGLUQJH-UHFFFAOYSA-N 0 3 286.766 2.642 20 30 CFEDHN C#CCCCCCCN1CCO[C@]2(CCSC2)C1 ZINC000877605223 643393837 /nfs/dbraw/zinc/39/38/37/643393837.db2.gz WYNAHLWXPZFICH-OAHLLOKOSA-N 0 3 267.438 2.778 20 30 CFEDHN Cc1ccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c([O-])c1 ZINC000877610648 643397170 /nfs/dbraw/zinc/39/71/70/643397170.db2.gz WCATWWVOJKRIIH-GOSISDBHSA-N 0 3 296.370 2.738 20 30 CFEDHN Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c([O-])c1 ZINC000877610648 643397175 /nfs/dbraw/zinc/39/71/75/643397175.db2.gz WCATWWVOJKRIIH-GOSISDBHSA-N 0 3 296.370 2.738 20 30 CFEDHN Cc1ccncc1CCNCc1cc(C#N)cnc1Cl ZINC000877625393 643410222 /nfs/dbraw/zinc/41/02/22/643410222.db2.gz XXZUPVJCFUHKQU-UHFFFAOYSA-N 0 3 286.766 2.642 20 30 CFEDHN C=C(C)COc1cc(CNC2CSC2)ccc1OC ZINC000877635389 643418925 /nfs/dbraw/zinc/41/89/25/643418925.db2.gz PLCRRXRALXOWPP-UHFFFAOYSA-N 0 3 279.405 2.855 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccnn2CC2CCC2)C1 ZINC000877651539 643431807 /nfs/dbraw/zinc/43/18/07/643431807.db2.gz XPJRCOZVGVFJSO-AWEZNQCLSA-N 0 3 257.381 2.528 20 30 CFEDHN N#Cc1csc(CN2CCCCCCNC(=O)CC2)c1 ZINC000877686031 643454106 /nfs/dbraw/zinc/45/41/06/643454106.db2.gz MTIPTTLBNRDESD-UHFFFAOYSA-N 0 3 291.420 2.502 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1cnc(C2CC2)nc1 ZINC000877704781 643471153 /nfs/dbraw/zinc/47/11/53/643471153.db2.gz MUELRMKKYABPOJ-UHFFFAOYSA-N 0 3 292.386 2.900 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000877738263 643500803 /nfs/dbraw/zinc/50/08/03/643500803.db2.gz NCTJNTPVTXNMGC-HUUCEWRRSA-N 0 3 258.390 2.743 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@H]3C2)cc1F ZINC000877741572 643510745 /nfs/dbraw/zinc/51/07/45/643510745.db2.gz YMUGRBRLJFTISV-UONOGXRCSA-N 0 3 276.380 2.882 20 30 CFEDHN COc1cc(CN2CCC[C@H](C(C)(C)O)C2)ccc1C#N ZINC000877797074 643564269 /nfs/dbraw/zinc/56/42/69/643564269.db2.gz PRSWAVZHODHZCE-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN C#CCN(Cc1cc[nH]c(=O)c1)[C@@H]1CCc2ccccc21 ZINC000877991818 643683203 /nfs/dbraw/zinc/68/32/03/643683203.db2.gz UHMFEPVIMFTJPE-QGZVFWFLSA-N 0 3 278.355 2.910 20 30 CFEDHN CC(=O)[C@@](C#N)(CCN1CCC[C@@H]1C)c1ccccc1 ZINC000878150041 643761182 /nfs/dbraw/zinc/76/11/82/643761182.db2.gz DYLXIFXKSJZLBT-YOEHRIQHSA-N 0 3 270.376 2.911 20 30 CFEDHN CN(CC1(CC#N)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878154560 643763506 /nfs/dbraw/zinc/76/35/06/643763506.db2.gz YILDRUSSJAVVJW-ZDUSSCGKSA-N 0 3 293.411 2.621 20 30 CFEDHN C=CC[C@@H](C)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000878290979 643824737 /nfs/dbraw/zinc/82/47/37/643824737.db2.gz XOWBUYNIQQIAAY-SECBINFHSA-N 0 3 261.291 2.835 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CC2CC3(CCC3)C2)CC1 ZINC000878310742 643833219 /nfs/dbraw/zinc/83/32/19/643833219.db2.gz QDOWZLYUUHOHMF-MRXNPFEDSA-N 0 3 275.440 2.732 20 30 CFEDHN C#CCCCCCN[C@H](C)c1nnc2ccccn21 ZINC000878414432 643883431 /nfs/dbraw/zinc/88/34/31/643883431.db2.gz LVFIRLWCWVZBDA-CYBMUJFWSA-N 0 3 256.353 2.574 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001007245484 650873611 /nfs/dbraw/zinc/87/36/11/650873611.db2.gz ZWDDEVPPWPBDNU-CYBMUJFWSA-N 0 3 276.380 2.612 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cnc(OC)c2ccccc12 ZINC000878517300 643924274 /nfs/dbraw/zinc/92/42/74/643924274.db2.gz OQXRZHJKJQUMLP-LBPRGKRZSA-N 0 3 254.333 2.697 20 30 CFEDHN N#CCC1(CN2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000878562928 643942625 /nfs/dbraw/zinc/94/26/25/643942625.db2.gz IORIDHAAQVSGIN-GOSISDBHSA-N 0 3 284.403 2.706 20 30 CFEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CC2(CC#N)CC2)C1 ZINC000878697829 643995799 /nfs/dbraw/zinc/99/57/99/643995799.db2.gz LDEZTXYUDWAVLW-OAHLLOKOSA-N 0 3 278.396 2.734 20 30 CFEDHN C[C@@H]1CN(CC[C@H]2CCCC2(F)F)C[C@@H](C)N1CC#N ZINC000878771248 644022155 /nfs/dbraw/zinc/02/21/55/644022155.db2.gz GVMXCRRUFRWPEN-MGPQQGTHSA-N 0 3 285.382 2.730 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CCC(C)(C)C#N ZINC000879226096 644182313 /nfs/dbraw/zinc/18/23/13/644182313.db2.gz KDOOUSRVZYJOBY-STQMWFEESA-N 0 3 295.427 2.914 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)ccn1 ZINC000879244852 644190936 /nfs/dbraw/zinc/19/09/36/644190936.db2.gz UANFAARGGRACDI-QZTJIDSGSA-N 0 3 293.370 2.651 20 30 CFEDHN CN(CC1CCC2(CC1)OCCO2)[C@H]1CCC[C@@H]1C#N ZINC000879311003 644219134 /nfs/dbraw/zinc/21/91/34/644219134.db2.gz MKUZNNWXDFWLRQ-CABCVRRESA-N 0 3 278.396 2.544 20 30 CFEDHN C#CCOc1ccc(CN2CCC(OCC)CC2)cc1 ZINC000091678274 650905631 /nfs/dbraw/zinc/90/56/31/650905631.db2.gz MYHMTLCDLIUVOE-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CCN[C@@H](COC)c1cccc(Br)c1 ZINC000879662124 644369961 /nfs/dbraw/zinc/36/99/61/644369961.db2.gz RFGIEBLHTZOXGY-LBPRGKRZSA-N 0 3 270.170 2.912 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CC=CCC2)c1 ZINC000092142942 650915239 /nfs/dbraw/zinc/91/52/39/650915239.db2.gz LHPKKFLLPIESJI-MRXNPFEDSA-N 0 3 282.387 2.895 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000879995933 644485822 /nfs/dbraw/zinc/48/58/22/644485822.db2.gz KANMYYOEJCUGMS-NOLJZWGESA-N 0 3 274.339 2.971 20 30 CFEDHN C[C@@]12CN(C[C@H](C#N)CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000957082956 650935141 /nfs/dbraw/zinc/93/51/41/650935141.db2.gz PTAIYSOHKZFOKD-QRJUGERDSA-N 0 3 257.381 2.798 20 30 CFEDHN C=CCCC[C@@H](NCC(=O)N1CCC1)c1ccccc1 ZINC000880388146 644685942 /nfs/dbraw/zinc/68/59/42/644685942.db2.gz IOUZVGZNINMPHX-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000880414030 644697257 /nfs/dbraw/zinc/69/72/57/644697257.db2.gz JUWNVCOBJPAQCE-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN CCN(CC1(CC#N)CC1)[C@@H](CO)c1ccccc1 ZINC000880463573 644722715 /nfs/dbraw/zinc/72/27/15/644722715.db2.gz VYRGCXDNTHKFOV-HNNXBMFYSA-N 0 3 258.365 2.736 20 30 CFEDHN N#CCC1(CN[C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000880568788 644769362 /nfs/dbraw/zinc/76/93/62/644769362.db2.gz CRJZLGJMPCKIRC-INIZCTEOSA-N 0 3 280.375 2.908 20 30 CFEDHN C=CC(C)(C)CC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000880620158 644790297 /nfs/dbraw/zinc/79/02/97/644790297.db2.gz QOBRPCVGCBPCFX-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN CC[C@H](C)N[C@@H](CNc1cc(C#N)nc(C)n1)c1ccco1 ZINC000882350344 645289518 /nfs/dbraw/zinc/28/95/18/645289518.db2.gz KMCOBMAJNITVGM-FZMZJTMJSA-N 0 3 299.378 2.791 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc(C)cc(Br)c1 ZINC000883157421 645630778 /nfs/dbraw/zinc/63/07/78/645630778.db2.gz XSCFYZKUXHGKDB-CQSZACIVSA-N 0 3 296.208 2.621 20 30 CFEDHN C=CCC[C@H](NCc1cc(C)no1)[C@H]1CCCO1 ZINC000883186170 645648343 /nfs/dbraw/zinc/64/83/43/645648343.db2.gz MXGYILAOZRWHGK-UONOGXRCSA-N 0 3 250.342 2.586 20 30 CFEDHN Cc1cccc(NC(=[NH2+])NCc2ccc([O-])c(F)c2)c1 ZINC000304758415 651033103 /nfs/dbraw/zinc/03/31/03/651033103.db2.gz PYLPSRGUORAIBN-UHFFFAOYSA-N 0 3 273.311 2.767 20 30 CFEDHN C=CCC[C@H](NCc1ccc(C#N)cn1)[C@H]1CCCO1 ZINC000883217336 645671067 /nfs/dbraw/zinc/67/10/67/645671067.db2.gz GTXKSQLDFFIMLW-JKSUJKDBSA-N 0 3 271.364 2.557 20 30 CFEDHN C=CCC[C@@H](NCc1cnc(CC)o1)[C@H]1CCCO1 ZINC000883227126 645677291 /nfs/dbraw/zinc/67/72/91/645677291.db2.gz LNPKAWUYSZXEMA-ZIAGYGMSSA-N 0 3 264.369 2.840 20 30 CFEDHN C=CCCn1cc(CNCC[C@H]2CCCC2(F)F)nn1 ZINC000883264772 645708532 /nfs/dbraw/zinc/70/85/32/645708532.db2.gz KATBOKJSHGQBDB-GFCCVEGCSA-N 0 3 284.354 2.769 20 30 CFEDHN C#CC1(NCc2cc(OC)c3c(c2)OCCO3)CCCC1 ZINC000883363047 645769488 /nfs/dbraw/zinc/76/94/88/645769488.db2.gz UQKDOJBRQDVWAR-UHFFFAOYSA-N 0 3 287.359 2.502 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cccc(O)c1F ZINC000883393077 645792159 /nfs/dbraw/zinc/79/21/59/645792159.db2.gz VIGSPYOYODDAJD-MNOVXSKESA-N 0 3 253.317 2.509 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(OC)c(OC)cc1Cl ZINC000883399177 645795738 /nfs/dbraw/zinc/79/57/38/645795738.db2.gz GGOBYIFYPSEYFX-LBPRGKRZSA-N 0 3 299.798 2.774 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000883400719 645797448 /nfs/dbraw/zinc/79/74/48/645797448.db2.gz TVFNVPGTSYKQRY-CQSZACIVSA-N 0 3 281.783 2.692 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1ccc(OC)cc1Cl ZINC000883401473 645798600 /nfs/dbraw/zinc/79/86/00/645798600.db2.gz NTFILTRXEBYYRB-LBPRGKRZSA-N 0 3 269.772 2.765 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CC1CC1 ZINC000884427345 646351531 /nfs/dbraw/zinc/35/15/31/646351531.db2.gz SNLKYPKLSQUJJM-KRWDZBQOSA-N 0 3 299.418 2.670 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](N)CC1CC1 ZINC000884427346 646351714 /nfs/dbraw/zinc/35/17/14/646351714.db2.gz SNLKYPKLSQUJJM-QGZVFWFLSA-N 0 3 299.418 2.670 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC001006390029 646746690 /nfs/dbraw/zinc/74/66/90/646746690.db2.gz ALNOEFYYWDKNTQ-UHFFFAOYSA-N 0 3 298.430 2.898 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886043949 646839042 /nfs/dbraw/zinc/83/90/42/646839042.db2.gz NGROESHWRHUMFK-NVXWUHKLSA-N 0 3 299.418 2.972 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886204319 646919101 /nfs/dbraw/zinc/91/91/01/646919101.db2.gz AUXSAIMQEYMYMW-KRWDZBQOSA-N 0 3 282.387 2.567 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000886204320 646919331 /nfs/dbraw/zinc/91/93/31/646919331.db2.gz AUXSAIMQEYMYMW-QGZVFWFLSA-N 0 3 282.387 2.567 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N(CC)C2CCCCC2)C1 ZINC000886353400 646983467 /nfs/dbraw/zinc/98/34/67/646983467.db2.gz IOMRZVCISUUHBO-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN CCCCCCCCN1CCCn2nncc2C1 ZINC000886457957 647005054 /nfs/dbraw/zinc/00/50/54/647005054.db2.gz VUHCPKGVKRRTKW-UHFFFAOYSA-N 0 3 250.390 2.844 20 30 CFEDHN COc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1C#N ZINC000886553107 647044776 /nfs/dbraw/zinc/04/47/76/647044776.db2.gz DHLBPLTZJMWQNJ-QGZVFWFLSA-N 0 3 298.390 2.787 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CCC=CCCC1)C1CCN(C)CC1 ZINC000886572415 647051721 /nfs/dbraw/zinc/05/17/21/647051721.db2.gz LNTLGVMWEWRKIF-MRXNPFEDSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000886579100 647053454 /nfs/dbraw/zinc/05/34/54/647053454.db2.gz YFKCMRJSFPLOOU-GJZGRUSLSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN(C(=O)c1ccc(CCC)cc1)C1CCN(C)CC1 ZINC000886582051 647054087 /nfs/dbraw/zinc/05/40/87/647054087.db2.gz DPHURDGYVBHIBE-UHFFFAOYSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCN(C(=O)c1ccccc1Cl)C1CCN(C)CC1 ZINC000886589373 647057066 /nfs/dbraw/zinc/05/70/66/647057066.db2.gz SMFPLUJAYMXUHR-UHFFFAOYSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCN(C(=O)c1ccc(Cl)s1)C1CCN(C)CC1 ZINC000886589334 647057664 /nfs/dbraw/zinc/05/76/64/647057664.db2.gz RARJYSXODPIHFR-UHFFFAOYSA-N 0 3 296.823 2.571 20 30 CFEDHN C#Cc1cccc(CN[C@H](c2cnn(C)c2)C(C)C)c1 ZINC000886622144 647072443 /nfs/dbraw/zinc/07/24/43/647072443.db2.gz KYSMPCKQQTYTSY-KRWDZBQOSA-N 0 3 267.376 2.888 20 30 CFEDHN C#Cc1cccc(CN[C@@H](c2cnn(C)c2)C(C)C)c1 ZINC000886622145 647072667 /nfs/dbraw/zinc/07/26/67/647072667.db2.gz KYSMPCKQQTYTSY-QGZVFWFLSA-N 0 3 267.376 2.888 20 30 CFEDHN C=CCCSCCN[C@H](C)c1cncc(C(=O)OC)c1 ZINC000886636970 647080816 /nfs/dbraw/zinc/08/08/16/647080816.db2.gz ZONFQDPYPFPSCL-GFCCVEGCSA-N 0 3 294.420 2.828 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886674184 647104161 /nfs/dbraw/zinc/10/41/61/647104161.db2.gz HROBYAQLNJDMMQ-MRXNPFEDSA-N 0 3 278.359 2.728 20 30 CFEDHN C=CCC1(O)CCN(CCOc2cccc(F)c2)CC1 ZINC000886762203 647129417 /nfs/dbraw/zinc/12/94/17/647129417.db2.gz TZZDUFZYYFLUIJ-UHFFFAOYSA-N 0 3 279.355 2.608 20 30 CFEDHN C[C@H](C#N)OCCNC(C)(C)c1ccc(F)cc1F ZINC000886897716 647170473 /nfs/dbraw/zinc/17/04/73/647170473.db2.gz GJUZSALGYJQTIF-SNVBAGLBSA-N 0 3 268.307 2.718 20 30 CFEDHN N#Cc1ccc(CNCC2(C3(O)CCC3)CCC2)c(F)c1 ZINC000886972728 647185182 /nfs/dbraw/zinc/18/51/82/647185182.db2.gz QALXKRRBGRMPCV-UHFFFAOYSA-N 0 3 288.366 2.872 20 30 CFEDHN COCCN(CCO[C@H](C)C#N)Cc1ccc(C)c(C)c1 ZINC000887110524 647217357 /nfs/dbraw/zinc/21/73/57/647217357.db2.gz UMMSPBPAEBHWIE-MRXNPFEDSA-N 0 3 290.407 2.681 20 30 CFEDHN C#CCC1(NCC#Cc2cccc(Cl)c2)CCOCC1 ZINC000887121106 647218445 /nfs/dbraw/zinc/21/84/45/647218445.db2.gz XDMXQPRNJZSDQV-UHFFFAOYSA-N 0 3 287.790 2.854 20 30 CFEDHN C#CCC1(NCc2ccc(C)c(Cl)n2)CCOCC1 ZINC000887120446 647218508 /nfs/dbraw/zinc/21/85/08/647218508.db2.gz GIVVPFDVNYMUOE-UHFFFAOYSA-N 0 3 278.783 2.706 20 30 CFEDHN C=C(C)[C@H](CO)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887149978 647232395 /nfs/dbraw/zinc/23/23/95/647232395.db2.gz RLCAUOJEBBBYHX-HNNXBMFYSA-N 0 3 273.376 2.741 20 30 CFEDHN C=C1CCC(C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000889465037 647577325 /nfs/dbraw/zinc/57/73/25/647577325.db2.gz VLGINRQVPYUBBE-UHFFFAOYSA-N 0 3 290.407 2.916 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)N1CCCC[C@H]1C ZINC000924909907 648070792 /nfs/dbraw/zinc/07/07/92/648070792.db2.gz ROTNEMCJHYKTAV-MGPQQGTHSA-N 0 3 279.428 2.694 20 30 CFEDHN C=CCC[C@H](CC)N1CCc2sc(CN)nc2C1 ZINC000925751650 648307621 /nfs/dbraw/zinc/30/76/21/648307621.db2.gz QLGPJYHOPNLUIR-NSHDSACASA-N 0 3 265.426 2.705 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N2CCOc3ccc(N)cc3C2)C1 ZINC000925755150 648310082 /nfs/dbraw/zinc/31/00/82/648310082.db2.gz SRMRFNXZMYOUHI-DOMZBBRYSA-N 0 3 271.364 2.546 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H](CO)c1ccsc1 ZINC000926198180 648431423 /nfs/dbraw/zinc/43/14/23/648431423.db2.gz JHAWRTTYVBYPBR-PWSUYJOCSA-N 0 3 252.383 2.699 20 30 CFEDHN CCn1nc(C)c([C@@H](C)NCC2CCC(C#N)CC2)n1 ZINC000926357479 648470732 /nfs/dbraw/zinc/47/07/32/648470732.db2.gz XMEACPDMARWJHU-LMWSTFAQSA-N 0 3 275.400 2.587 20 30 CFEDHN CCn1nc(C)c([C@H](C)NCC2CCC(C#N)CC2)n1 ZINC000926357480 648470915 /nfs/dbraw/zinc/47/09/15/648470915.db2.gz XMEACPDMARWJHU-XGNXJENSSA-N 0 3 275.400 2.587 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(C2CCC2)c1 ZINC000926524004 648518347 /nfs/dbraw/zinc/51/83/47/648518347.db2.gz AIIIPJYQBVIAAT-DFBGVHRSSA-N 0 3 261.369 2.602 20 30 CFEDHN C=C1CCC(CNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000926539088 648524480 /nfs/dbraw/zinc/52/44/80/648524480.db2.gz URKBQVPTRXWLKK-MRXNPFEDSA-N 0 3 291.439 2.611 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cn2c(n1)CCCC2 ZINC000926679094 648572466 /nfs/dbraw/zinc/57/24/66/648572466.db2.gz AODJERFJGWWAPX-CQSZACIVSA-N 0 3 294.402 2.984 20 30 CFEDHN C=CCC[C@@H](NCC(C)(C)CS(C)(=O)=O)c1ccco1 ZINC000926954128 648669658 /nfs/dbraw/zinc/66/96/58/648669658.db2.gz BJBMKLCAHCEQRX-CYBMUJFWSA-N 0 3 299.436 2.947 20 30 CFEDHN CCC[C@H](NCCNc1ccc(C#N)cn1)c1ccccn1 ZINC000927164984 648733573 /nfs/dbraw/zinc/73/35/73/648733573.db2.gz QSMDRTGNBOVOOX-HNNXBMFYSA-N 0 3 295.390 2.891 20 30 CFEDHN CCc1ccc([C@H](C)NCCNc2ccc(C#N)cn2)o1 ZINC000927164016 648733629 /nfs/dbraw/zinc/73/36/29/648733629.db2.gz HDVFRVRNTVRVPO-LBPRGKRZSA-N 0 3 284.363 2.871 20 30 CFEDHN N#C[C@@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000928215232 648874228 /nfs/dbraw/zinc/87/42/28/648874228.db2.gz XHZRZTOYMKJPJS-ZDUSSCGKSA-N 0 3 296.374 2.667 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC000928439032 648911498 /nfs/dbraw/zinc/91/14/98/648911498.db2.gz GYOASBCEXJKTEG-BPUTZDHNSA-N 0 3 272.392 2.555 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000929467399 649054869 /nfs/dbraw/zinc/05/48/69/649054869.db2.gz AFUCVHOMIGGCTC-NVXWUHKLSA-N 0 3 288.435 2.878 20 30 CFEDHN C#C[C@H]1CCCCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000929563198 649069572 /nfs/dbraw/zinc/06/95/72/649069572.db2.gz LVJVZIQHGKDKKM-INIZCTEOSA-N 0 3 285.391 2.768 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN(C)CCn1cccn1 ZINC000929620944 649080887 /nfs/dbraw/zinc/08/08/87/649080887.db2.gz FZUPQYYNHDKPJM-UHFFFAOYSA-N 0 3 268.364 2.504 20 30 CFEDHN C#CCN(CC)Cc1cnc(N(C)C)c2ccccc12 ZINC000929789206 649123328 /nfs/dbraw/zinc/12/33/28/649123328.db2.gz VDTRWTSYPVLSKL-UHFFFAOYSA-N 0 3 267.376 2.756 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cncc(C#N)c1 ZINC000930035400 649171294 /nfs/dbraw/zinc/17/12/94/649171294.db2.gz LZSOWSLOTTVBNY-JKSUJKDBSA-N 0 3 287.407 2.979 20 30 CFEDHN C[C@H]1CCN(Cc2cncc(C#N)c2)CC12CCC2 ZINC000930171155 649197300 /nfs/dbraw/zinc/19/73/00/649197300.db2.gz MHCXCQOTRFOMPJ-ZDUSSCGKSA-N 0 3 255.365 2.965 20 30 CFEDHN COc1ccc(O)c([C@@H](C)NCc2cncc(C#N)c2)c1 ZINC000930216980 649208118 /nfs/dbraw/zinc/20/81/18/649208118.db2.gz PVSAGUOJJMLVIV-LLVKDONJSA-N 0 3 283.331 2.518 20 30 CFEDHN CC1(c2cccc(Cl)c2)CCN(C[C@H](O)CC#N)CC1 ZINC000930296507 649223896 /nfs/dbraw/zinc/22/38/96/649223896.db2.gz PSVLKBXDBFQLIP-OAHLLOKOSA-N 0 3 292.810 2.968 20 30 CFEDHN CC[C@@H](C)N(CC(=O)OC)CC1CCC(C#N)CC1 ZINC000930309657 649227611 /nfs/dbraw/zinc/22/76/11/649227611.db2.gz UJFMBBMTGKLLGD-IYXRBSQSSA-N 0 3 266.385 2.590 20 30 CFEDHN CCc1ccc([C@@H]2CCCN(C[C@H](O)CC#N)C2)cc1 ZINC000930468968 649255302 /nfs/dbraw/zinc/25/53/02/649255302.db2.gz DVIZWXFFSDGMLE-IAGOWNOFSA-N 0 3 272.392 2.703 20 30 CFEDHN N#Cc1cncc(CN2CCCc3ccccc3CC2)c1 ZINC000930647937 649296660 /nfs/dbraw/zinc/29/66/60/649296660.db2.gz QCOVUCMASJNFQO-UHFFFAOYSA-N 0 3 277.371 2.944 20 30 CFEDHN C#CC1CCN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930822312 649331605 /nfs/dbraw/zinc/33/16/05/649331605.db2.gz UZMIXBJWMQYKSE-QWHCGFSZSA-N 0 3 275.314 2.832 20 30 CFEDHN N#CC[C@H]1CCCN(CCOC2CCSCC2)C1 ZINC000930925684 649350973 /nfs/dbraw/zinc/35/09/73/649350973.db2.gz VHXWWLLQLONGIH-CYBMUJFWSA-N 0 3 268.426 2.524 20 30 CFEDHN CCOC(=O)/C=C/CNC(C)(C)c1cccc(C#N)c1 ZINC000930930319 649352107 /nfs/dbraw/zinc/35/21/07/649352107.db2.gz FILKXZYULVAFMD-RMKNXTFCSA-N 0 3 272.348 2.502 20 30 CFEDHN C=CCN(C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930930421 649352450 /nfs/dbraw/zinc/35/24/50/649352450.db2.gz HJJJOFQSHRIICF-GRYCIOLGSA-N 0 3 281.318 2.619 20 30 CFEDHN CC(C)(C#N)CCCCN1CCc2nccc(N)c2C1 ZINC000931519091 649446643 /nfs/dbraw/zinc/44/66/43/649446643.db2.gz RHBDNFDEBQVPDJ-UHFFFAOYSA-N 0 3 272.396 2.742 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000931549630 649452522 /nfs/dbraw/zinc/45/25/22/649452522.db2.gz NUJPZHXYPBGCBU-MRXNPFEDSA-N 0 3 292.810 2.869 20 30 CFEDHN CN1CCN(C(=O)Nc2sccc2C#N)CCC1(C)C ZINC000931833889 649497190 /nfs/dbraw/zinc/49/71/90/649497190.db2.gz FSPQJAUAFNFTJF-UHFFFAOYSA-N 0 3 292.408 2.568 20 30 CFEDHN CCN(C(=O)Nc1sccc1C#N)[C@@H]1CCN(CC)C1 ZINC000931834996 649497754 /nfs/dbraw/zinc/49/77/54/649497754.db2.gz JZUVVGMXVGYFMA-GFCCVEGCSA-N 0 3 292.408 2.568 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190730 649562050 /nfs/dbraw/zinc/56/20/50/649562050.db2.gz FTZDJLLBJFAQAI-GXTWGEPZSA-N 0 3 292.448 2.748 20 30 CFEDHN C=C(C)CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933064526 649669163 /nfs/dbraw/zinc/66/91/63/649669163.db2.gz DYUAQZSLJLWFFP-OAHLLOKOSA-N 0 3 273.376 2.913 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)c2c[nH]c3ncccc23)CCC1 ZINC000933299734 649686228 /nfs/dbraw/zinc/68/62/28/649686228.db2.gz VYYYVJAVZDANKQ-LBPRGKRZSA-N 0 3 281.359 2.670 20 30 CFEDHN C#CCC1(NCc2cc(F)cc3c2OCOC3)CCC1 ZINC000933302057 649686293 /nfs/dbraw/zinc/68/62/93/649686293.db2.gz KJUPKTMCJYGBMY-UHFFFAOYSA-N 0 3 275.323 2.728 20 30 CFEDHN Cc1nn(C)cc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607429 649705655 /nfs/dbraw/zinc/70/56/55/649705655.db2.gz PUTWLGAPKFVMLE-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN COC(=O)/C=C(/C)CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607878 649705836 /nfs/dbraw/zinc/70/58/36/649705836.db2.gz TWYCTJVJHDZAIS-KAMYIIQDSA-N 0 3 298.386 2.857 20 30 CFEDHN CCOC(=O)CCCCN(C)Cc1cc(C#N)cs1 ZINC000933777178 649720949 /nfs/dbraw/zinc/72/09/49/649720949.db2.gz HSOGCVZOOCOOFD-UHFFFAOYSA-N 0 3 280.393 2.785 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000933854879 649725563 /nfs/dbraw/zinc/72/55/63/649725563.db2.gz NGIRPPZAPZNTTP-CZUORRHYSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CC[C@@H]1CCN1[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000934473057 649791509 /nfs/dbraw/zinc/79/15/09/649791509.db2.gz WJOVYUISYUORDC-GDBMZVCRSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCCCCN1CCOC[C@@H]1CC1CCOCC1 ZINC000934632355 649807586 /nfs/dbraw/zinc/80/75/86/649807586.db2.gz BLDQFCOWJYHZFE-INIZCTEOSA-N 0 3 267.413 2.860 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000934764375 649825423 /nfs/dbraw/zinc/82/54/23/649825423.db2.gz SRGLDBPRUWNFLW-JKIFEVAISA-N 0 3 291.439 2.551 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007092347 651131987 /nfs/dbraw/zinc/13/19/87/651131987.db2.gz OIHXPYGACAWQKM-CQSZACIVSA-N 0 3 280.387 2.941 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001007325874 651133604 /nfs/dbraw/zinc/13/36/04/651133604.db2.gz DFEZXJGXXYADNE-JKSUJKDBSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007401450 651135104 /nfs/dbraw/zinc/13/51/04/651135104.db2.gz OWNMJPXHMNQGAL-IRXDYDNUSA-N 0 3 288.435 2.727 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008203504 651143269 /nfs/dbraw/zinc/14/32/69/651143269.db2.gz RDWHEEKGHWTOQS-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001008622796 651151706 /nfs/dbraw/zinc/15/17/06/651151706.db2.gz QEFJZGBAYGOORE-CQSZACIVSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001009243246 651157873 /nfs/dbraw/zinc/15/78/73/651157873.db2.gz BIGWRUZVYQEVQU-RDJZCZTQSA-N 0 3 286.419 2.947 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001014554002 651188499 /nfs/dbraw/zinc/18/84/99/651188499.db2.gz VEBWQZIBGQAOIA-MRXNPFEDSA-N 0 3 298.430 2.946 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014922228 651193934 /nfs/dbraw/zinc/19/39/34/651193934.db2.gz ZRVUJIHKCQXYSX-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015687690 651209437 /nfs/dbraw/zinc/20/94/37/651209437.db2.gz RNCLHIFZPRHTQH-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001015774689 651213925 /nfs/dbraw/zinc/21/39/25/651213925.db2.gz GQDNFNRVOPFJQN-QGZVFWFLSA-N 0 3 286.419 2.558 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001015826146 651215481 /nfs/dbraw/zinc/21/54/81/651215481.db2.gz ZGIHCXCKNPBQJP-FGTMMUONSA-N 0 3 298.430 2.865 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001015857727 651216142 /nfs/dbraw/zinc/21/61/42/651216142.db2.gz FOQBGYPEIYGUGE-HIFRSBDPSA-N 0 3 290.407 2.767 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015901869 651217200 /nfs/dbraw/zinc/21/72/00/651217200.db2.gz BNWJMSOIRLWPBS-OAHLLOKOSA-N 0 3 298.386 2.742 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3ccsc32)C1 ZINC001015947452 651218961 /nfs/dbraw/zinc/21/89/61/651218961.db2.gz MEQGADAZSIQHBF-CQSZACIVSA-N 0 3 298.411 2.729 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001016180229 651227038 /nfs/dbraw/zinc/22/70/38/651227038.db2.gz IODGPDQHKPKHMU-CYBMUJFWSA-N 0 3 290.432 2.617 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001016208917 651228235 /nfs/dbraw/zinc/22/82/35/651228235.db2.gz VLLNHQCQMFLASI-CQSZACIVSA-N 0 3 292.448 2.999 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001016347657 651230775 /nfs/dbraw/zinc/23/07/75/651230775.db2.gz DQNYAFQVFIYAME-CQSZACIVSA-N 0 3 297.402 2.857 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001016443018 651233454 /nfs/dbraw/zinc/23/34/54/651233454.db2.gz IMFLGCVTRAXTMA-GOSISDBHSA-N 0 3 298.430 2.639 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2c(C)cccc2C)CC1 ZINC001016841909 651241531 /nfs/dbraw/zinc/24/15/31/651241531.db2.gz GJGMZXFTAKYXJO-MRXNPFEDSA-N 0 3 296.414 2.521 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001017364537 651250873 /nfs/dbraw/zinc/25/08/73/651250873.db2.gz IWTCZFNPMVIZNE-KFWWJZLASA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001017447486 651252041 /nfs/dbraw/zinc/25/20/41/651252041.db2.gz YFZGHWXDLKQGQX-UYVKZUBASA-N 0 3 288.435 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001017655395 651255484 /nfs/dbraw/zinc/25/54/84/651255484.db2.gz IEAUVVMDGIHIEN-CWRNSKLLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001017804512 651257932 /nfs/dbraw/zinc/25/79/32/651257932.db2.gz LVGBXIJXOYKSJR-GASCZTMLSA-N 0 3 276.424 2.818 20 30 CFEDHN N#Cc1cc2c(nc1N1CCN(C3CCCC3)CC1)CCC2 ZINC000298702556 721860153 /nfs/dbraw/zinc/86/01/53/721860153.db2.gz HVXICSMSAYUZMJ-UHFFFAOYSA-N 0 3 296.418 2.507 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085942101 782212035 /nfs/dbraw/zinc/21/20/35/782212035.db2.gz YEYKUYJHEPWVAO-MRXNPFEDSA-N 0 3 272.392 2.717 20 30 CFEDHN C#CCN(CC)[C@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001155418386 782286922 /nfs/dbraw/zinc/28/69/22/782286922.db2.gz FRZYYKHUKMHIJT-LSDHHAIUSA-N 0 3 280.456 2.909 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)CCC1CC1 ZINC001266837163 770663543 /nfs/dbraw/zinc/66/35/43/770663543.db2.gz KFUJJYKRBURCKP-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN O=C1C=C2CN(Cc3ccc(Cl)o3)CCC2S1 ZINC001233315034 777877721 /nfs/dbraw/zinc/87/77/21/777877721.db2.gz VTJSOWXNWBACHL-JTQLQIEISA-N 0 3 269.753 2.707 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033948821 780834704 /nfs/dbraw/zinc/83/47/04/780834704.db2.gz CQXUEMUXKFAIGF-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001266251379 769829382 /nfs/dbraw/zinc/82/93/82/769829382.db2.gz CBKXXLRQLBPXNQ-QGZVFWFLSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@@H](CCC)c1ccccn1 ZINC001266313524 769951455 /nfs/dbraw/zinc/95/14/55/769951455.db2.gz LMUVSSZGTOHOBH-HNNXBMFYSA-N 0 3 289.423 2.589 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H]1CN1CCC[C@@H](C#N)CC1 ZINC001208996140 769969265 /nfs/dbraw/zinc/96/92/65/769969265.db2.gz BLMXPAOCLNVQHY-KGLIPLIRSA-N 0 3 293.411 2.621 20 30 CFEDHN CCCCCCCN1CC[C@H](NC(=O)c2conc2C)C1 ZINC001266339520 769983470 /nfs/dbraw/zinc/98/34/70/769983470.db2.gz RWPPJXQMTFNOCA-AWEZNQCLSA-N 0 3 293.411 2.758 20 30 CFEDHN C=CCN(C)[C@@H](C)CNC(=O)c1ccc(C)c2c1CCC2 ZINC001282497182 769993227 /nfs/dbraw/zinc/99/32/27/769993227.db2.gz LUSBNLQLBGVCBZ-AWEZNQCLSA-N 0 3 286.419 2.720 20 30 CFEDHN C=CCCCCN1CCN(c2cccc(OC)n2)CC1 ZINC001209206988 770012415 /nfs/dbraw/zinc/01/24/15/770012415.db2.gz GAAOAHDYDQHUCB-UHFFFAOYSA-N 0 3 275.396 2.569 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001266390969 770067231 /nfs/dbraw/zinc/06/72/31/770067231.db2.gz UJRXIBJLJYZUDN-UHFFFAOYSA-N 0 3 289.423 2.617 20 30 CFEDHN C=CCN(CC)CCNC(=O)C[C@@H](C)c1ccccc1F ZINC001266422483 770120119 /nfs/dbraw/zinc/12/01/19/770120119.db2.gz DMUQTCCNPJTIFP-CQSZACIVSA-N 0 3 292.398 2.943 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1cnoc1-c1ccccc1 ZINC001266425175 770124865 /nfs/dbraw/zinc/12/48/65/770124865.db2.gz FLGYJPDJOKYIFC-UHFFFAOYSA-N 0 3 299.374 2.579 20 30 CFEDHN C=CCN(CC)CCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001266440546 770158390 /nfs/dbraw/zinc/15/83/90/770158390.db2.gz XONKVBBNYOIZBT-KBPBESRZSA-N 0 3 266.429 2.683 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001266483336 770200037 /nfs/dbraw/zinc/20/00/37/770200037.db2.gz UDGVMPFNTOIMJD-HOTGVXAUSA-N 0 3 290.382 2.854 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(CC)CC ZINC001266495540 770206916 /nfs/dbraw/zinc/20/69/16/770206916.db2.gz OUBOHCQRRDUVCK-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001266525790 770271979 /nfs/dbraw/zinc/27/19/79/770271979.db2.gz MSEFJCPJYVXTEX-KBPBESRZSA-N 0 3 284.419 2.775 20 30 CFEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001039188761 770279723 /nfs/dbraw/zinc/27/97/23/770279723.db2.gz ZTFMZTUNVTXTFU-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001266567645 770349881 /nfs/dbraw/zinc/34/98/81/770349881.db2.gz MFFLPWRVVFJWPE-CVEARBPZSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCN(CCC)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC001266577257 770366262 /nfs/dbraw/zinc/36/62/62/770366262.db2.gz CSJBRVHQQWYAHW-MRXNPFEDSA-N 0 3 286.419 2.642 20 30 CFEDHN C=CCN(CCNC(=O)C12CC(C(C)(C)C)(C1)C2)C1CC1 ZINC001266621580 770452127 /nfs/dbraw/zinc/45/21/27/770452127.db2.gz GPYFMOABMFAAEX-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/06/60/98/776066098.db2.gz LYPAEIMUOUMGHE-HNNXBMFYSA-N 0 3 286.419 2.852 20 30 CFEDHN CC#CCNC1(CNC(=O)C2(CC(C)C)CCCC2)CC1 ZINC001277202688 776186591 /nfs/dbraw/zinc/18/65/91/776186591.db2.gz PWFHBZHIKSTBJD-UHFFFAOYSA-N 0 3 290.451 2.855 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)CC(C)(C)CC)CC1 ZINC001227561719 776229604 /nfs/dbraw/zinc/22/96/04/776229604.db2.gz CWNVPLYKAXTMIU-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN CCCC(=O)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027271475 776276477 /nfs/dbraw/zinc/27/64/77/776276477.db2.gz OBEGPCBYTJRPKD-QGZVFWFLSA-N 0 3 299.418 2.781 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001027411026 776315712 /nfs/dbraw/zinc/31/57/12/776315712.db2.gz KRCJDNZBSYEAPE-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001027460536 776326258 /nfs/dbraw/zinc/32/62/58/776326258.db2.gz KGQIHXIUAQTIEK-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC001027487947 776334559 /nfs/dbraw/zinc/33/45/59/776334559.db2.gz HSUNRQPOXJHYHR-MRXNPFEDSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC001027528177 776345621 /nfs/dbraw/zinc/34/56/21/776345621.db2.gz QHGWUBPDZDNFAL-CQSZACIVSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001027596675 776373627 /nfs/dbraw/zinc/37/36/27/776373627.db2.gz YHSPONVRNSWHRM-FUHWJXTLSA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC001027641444 776391369 /nfs/dbraw/zinc/39/13/69/776391369.db2.gz JQBXXQGHJDAGBL-SFHVURJKSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC001027673583 776406282 /nfs/dbraw/zinc/40/62/82/776406282.db2.gz LRFLYUVWUWETEW-QGZVFWFLSA-N 0 3 298.430 2.520 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001027691016 776409591 /nfs/dbraw/zinc/40/95/91/776409591.db2.gz KZENYHDVEQXJKH-WMZOPIPTSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001027691012 776409933 /nfs/dbraw/zinc/40/99/33/776409933.db2.gz KZENYHDVEQXJKH-FUHWJXTLSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001027698103 776412262 /nfs/dbraw/zinc/41/22/62/776412262.db2.gz CQHJXTUTXILZGP-PQUAAJSLSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001027734554 776433702 /nfs/dbraw/zinc/43/37/02/776433702.db2.gz AZBVDXGIPIMZPX-OAHLLOKOSA-N 0 3 276.355 2.596 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001167807362 776513050 /nfs/dbraw/zinc/51/30/50/776513050.db2.gz FOFUTKCJMGJQTH-LBPRGKRZSA-N 0 3 284.787 2.540 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027963852 776530556 /nfs/dbraw/zinc/53/05/56/776530556.db2.gz FNJJNOLIQSANTR-HUUCEWRRSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001028001969 776549214 /nfs/dbraw/zinc/54/92/14/776549214.db2.gz BORQBRADLGUTDQ-MRXNPFEDSA-N 0 3 299.418 2.729 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001028012484 776555816 /nfs/dbraw/zinc/55/58/16/776555816.db2.gz MSUCEQQUMVDYSO-OAHLLOKOSA-N 0 3 290.407 2.975 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001028049787 776571973 /nfs/dbraw/zinc/57/19/73/776571973.db2.gz KXZZPPYRZOBFKB-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001028052986 776574410 /nfs/dbraw/zinc/57/44/10/776574410.db2.gz RJPAICRTDRVVNV-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN N#CCCc1ccc(NCCN2CCSCC2)cc1 ZINC001167837977 776589348 /nfs/dbraw/zinc/58/93/48/776589348.db2.gz UXQJTXHMKYQODE-UHFFFAOYSA-N 0 3 275.421 2.603 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1CC ZINC001028102664 776623132 /nfs/dbraw/zinc/62/31/32/776623132.db2.gz DDQAKMORKPKCJB-HNNXBMFYSA-N 0 3 272.392 2.629 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001028135294 776651877 /nfs/dbraw/zinc/65/18/77/776651877.db2.gz PCIQMGFSRLNJBH-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001028156504 776668053 /nfs/dbraw/zinc/66/80/53/776668053.db2.gz PDJXCSSOJANGGT-ZDUSSCGKSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001028165243 776674249 /nfs/dbraw/zinc/67/42/49/776674249.db2.gz ROYVYVHCIUQOLU-ZWKOTPCHSA-N 0 3 298.430 2.558 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001028192129 776693701 /nfs/dbraw/zinc/69/37/01/776693701.db2.gz CZLWDCFSECWBNE-OWCLPIDISA-N 0 3 276.424 2.579 20 30 CFEDHN C/C=C(\C)C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001268206587 776706590 /nfs/dbraw/zinc/70/65/90/776706590.db2.gz YDDTUUXVMSKDES-BDSVNUEJSA-N 0 3 298.430 2.735 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1scc(C)c1Cl ZINC001268239922 776717333 /nfs/dbraw/zinc/71/73/33/776717333.db2.gz SKOPNKRJVTZJNB-UHFFFAOYSA-N 0 3 286.828 2.900 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1ccc(OC)cc1Cl ZINC001268253572 776724072 /nfs/dbraw/zinc/72/40/72/776724072.db2.gz WHHSAEDXNZZUAL-UHFFFAOYSA-N 0 3 296.798 2.538 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](CC)CC(F)(F)F ZINC001268254835 776724565 /nfs/dbraw/zinc/72/45/65/776724565.db2.gz DYFMTFJVUDMUTJ-LBPRGKRZSA-N 0 3 294.361 2.931 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC001268252896 776724725 /nfs/dbraw/zinc/72/47/25/776724725.db2.gz GKNOXULHDPPIHH-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1ccccc1Cl ZINC001268255755 776725002 /nfs/dbraw/zinc/72/50/02/776725002.db2.gz LWAOAOBRCWOIOA-UHFFFAOYSA-N 0 3 266.772 2.530 20 30 CFEDHN CC#CCN[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1ccccc1 ZINC001211711316 776737810 /nfs/dbraw/zinc/73/78/10/776737810.db2.gz BQPYCXZFINWIPM-DLBZAZTESA-N 0 3 298.430 2.640 20 30 CFEDHN C=C(Br)CNCC[C@H](C)NC(=O)CCCC ZINC001268344775 776755973 /nfs/dbraw/zinc/75/59/73/776755973.db2.gz BNZKFPHLDDKVDA-NSHDSACASA-N 0 3 291.233 2.570 20 30 CFEDHN CN1CCC(Oc2cc(C#N)ccc2Cl)CC1 ZINC001229247222 776763780 /nfs/dbraw/zinc/76/37/80/776763780.db2.gz CGQFWQGBOKCOAY-UHFFFAOYSA-N 0 3 250.729 2.685 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001028294074 776838535 /nfs/dbraw/zinc/83/85/35/776838535.db2.gz UIZGYOHSMMYDTB-JCYILVPMSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028308673 776850260 /nfs/dbraw/zinc/85/02/60/776850260.db2.gz KDUZGJBRBCYMFR-KRWDZBQOSA-N 0 3 284.403 2.556 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001028333332 776858368 /nfs/dbraw/zinc/85/83/68/776858368.db2.gz LBSCHVUNMVJEMM-OAHLLOKOSA-N 0 3 295.386 2.615 20 30 CFEDHN C#C[C@@H](Oc1ccccc1CN(C)C)c1ccncc1 ZINC001229701404 776874956 /nfs/dbraw/zinc/87/49/56/776874956.db2.gz IWOCEGZUOFNQLZ-MRXNPFEDSA-N 0 3 266.344 2.897 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOCC)[C@@H]1C ZINC001284131806 776915395 /nfs/dbraw/zinc/91/53/95/776915395.db2.gz SRPJPXCBPPIJSM-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CC ZINC001230553492 777012438 /nfs/dbraw/zinc/01/24/38/777012438.db2.gz WNFVFQVRTSJIBX-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230588035 777019603 /nfs/dbraw/zinc/01/96/03/777019603.db2.gz LGBHBTVMSLWVRM-UONOGXRCSA-N 0 3 276.380 2.781 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)CCc1ccc(C)cc1C ZINC001268738212 777038497 /nfs/dbraw/zinc/03/84/97/777038497.db2.gz FVOLGNPLWXHIPV-MRXNPFEDSA-N 0 3 288.435 2.859 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)C1(CC)CCCCC1 ZINC001268760541 777048323 /nfs/dbraw/zinc/04/83/23/777048323.db2.gz WBIPCGDYJRWYNP-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230812271 777068566 /nfs/dbraw/zinc/06/85/66/777068566.db2.gz VGIMQYFYFOLTAI-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001268940020 777076287 /nfs/dbraw/zinc/07/62/87/777076287.db2.gz YRTDDPZFNAWKRZ-HOTGVXAUSA-N 0 3 288.435 2.511 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCCOC(C)C)C1 ZINC001269051700 777093272 /nfs/dbraw/zinc/09/32/72/777093272.db2.gz GFKSPDWISWRKOB-HNNXBMFYSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230939846 777098021 /nfs/dbraw/zinc/09/80/21/777098021.db2.gz VHLVAVDIBPPVNP-CQSZACIVSA-N 0 3 284.469 2.629 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231043413 777122864 /nfs/dbraw/zinc/12/28/64/777122864.db2.gz PLBQSVGZSOBSGF-MRXNPFEDSA-N 0 3 276.424 2.986 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001269177477 777129663 /nfs/dbraw/zinc/12/96/63/777129663.db2.gz IGYCQYDCOFBEMC-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231139209 777153899 /nfs/dbraw/zinc/15/38/99/777153899.db2.gz MXTCXISNYRDXED-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCCC(C)C)C1 ZINC001269292111 777160859 /nfs/dbraw/zinc/16/08/59/777160859.db2.gz PBDJBGCDJOABHS-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)C=C(CC)CC)C1 ZINC001269319313 777169182 /nfs/dbraw/zinc/16/91/82/777169182.db2.gz WCKXPZNZEKYWNR-HNNXBMFYSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001269326721 777170900 /nfs/dbraw/zinc/17/09/00/777170900.db2.gz NBMKHSDJNZGZBQ-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001269333517 777172346 /nfs/dbraw/zinc/17/23/46/777172346.db2.gz XVFFFWLSOBREMU-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCC(C)C)C1 ZINC001269344573 777176052 /nfs/dbraw/zinc/17/60/52/777176052.db2.gz DNWMQXLVZJROOP-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001277502801 777181451 /nfs/dbraw/zinc/18/14/51/777181451.db2.gz SAQWVBUYIRTRBP-SJLPKXTDSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231313099 777189750 /nfs/dbraw/zinc/18/97/50/777189750.db2.gz VLJNHYHKQASBDL-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN CCCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001269520038 777202030 /nfs/dbraw/zinc/20/20/30/777202030.db2.gz FFKMICQTBUOEHA-UHFFFAOYSA-N 0 3 298.430 2.857 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231411024 777212137 /nfs/dbraw/zinc/21/21/37/777212137.db2.gz WAMBQKJTSNVCPS-WCVJEAGWSA-N 0 3 276.424 2.531 20 30 CFEDHN C#CCN1CC[C@@]2(CCN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001269735999 777239083 /nfs/dbraw/zinc/23/90/83/777239083.db2.gz HQQYYKCWHDJULR-QGZVFWFLSA-N 0 3 288.435 2.514 20 30 CFEDHN CCN1CC[C@@H](Oc2cc(Br)ccc2C#N)C1 ZINC001225786010 777277229 /nfs/dbraw/zinc/27/72/29/777277229.db2.gz HTDLBRKKNZCRJE-GFCCVEGCSA-N 0 3 295.180 2.794 20 30 CFEDHN CN1CCC[C@H](Oc2cc(Br)ccc2C#N)C1 ZINC001225786545 777278233 /nfs/dbraw/zinc/27/82/33/777278233.db2.gz PSLUOGHEXORWPK-LBPRGKRZSA-N 0 3 295.180 2.794 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@H](C)CC12CC2 ZINC001231620876 777281796 /nfs/dbraw/zinc/28/17/96/777281796.db2.gz OQZMJOTYXBKJQP-GFCCVEGCSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001231621081 777282721 /nfs/dbraw/zinc/28/27/21/777282721.db2.gz OEFMOEXERMLBHK-JKSUJKDBSA-N 0 3 279.355 2.546 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](C(C)=O)C2)c1 ZINC001231624589 777284299 /nfs/dbraw/zinc/28/42/99/777284299.db2.gz RAMFJPGKGKHWMU-HNNXBMFYSA-N 0 3 259.349 2.662 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)C/C=C(\C)C=C)cc1 ZINC001270071355 777301695 /nfs/dbraw/zinc/30/16/95/777301695.db2.gz UIDYSLNKCVJOPT-GIDUJCDVSA-N 0 3 282.387 2.548 20 30 CFEDHN CC#CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2CCC)cc1 ZINC001270076390 777303041 /nfs/dbraw/zinc/30/30/41/777303041.db2.gz ROCMZKOWXVGUIW-QZTJIDSGSA-N 0 3 298.430 2.852 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc(Br)cc2C#N)C1 ZINC001225837471 777306264 /nfs/dbraw/zinc/30/62/64/777306264.db2.gz ZYBSTIKRJNJAPA-GFCCVEGCSA-N 0 3 295.180 2.794 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)CC(C)(C)C)CC1 ZINC001270207262 777330916 /nfs/dbraw/zinc/33/09/16/777330916.db2.gz DYVXPLWYTBXMRC-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN COc1cc(N(C)C)ccc1CN1CCC(S)CC1 ZINC001231853032 777352856 /nfs/dbraw/zinc/35/28/56/777352856.db2.gz DJXDGVLTKMUIEM-UHFFFAOYSA-N 0 3 280.437 2.655 20 30 CFEDHN C=CCC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001270366467 777364152 /nfs/dbraw/zinc/36/41/52/777364152.db2.gz ZIOAKTBDFWMHFT-KGLIPLIRSA-N 0 3 290.407 2.702 20 30 CFEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c[nH]nc2c1 ZINC001231907327 777379232 /nfs/dbraw/zinc/37/92/32/777379232.db2.gz QNOVVLIWMSQSSK-XMQYKBBCSA-N 0 3 266.348 2.829 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001232014084 777412633 /nfs/dbraw/zinc/41/26/33/777412633.db2.gz JRMRWNHUSFRWMX-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN CC1(C#N)CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232016504 777415076 /nfs/dbraw/zinc/41/50/76/777415076.db2.gz YKICMIUAGQOYPU-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN C#CCN1CCC(C)(CNC(=O)CCCC(C)C)CC1 ZINC001270910584 777602519 /nfs/dbraw/zinc/60/25/19/777602519.db2.gz HJKHCZCBMLKFDR-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=CCN1CCC[C@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001270982309 777619871 /nfs/dbraw/zinc/61/98/71/777619871.db2.gz HQGWLUKQFLXYLX-YBYKNVHQSA-N 0 3 276.424 2.913 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1CC ZINC001087541807 777632230 /nfs/dbraw/zinc/63/22/30/777632230.db2.gz IAVQEKMPOYDBOI-LSDHHAIUSA-N 0 3 288.391 2.502 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1CC ZINC001087552932 777648580 /nfs/dbraw/zinc/64/85/80/777648580.db2.gz GNFNDPIGDKJKPE-DLBZAZTESA-N 0 3 288.435 2.869 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc3occc3[nH]2)[C@H]1CC ZINC001087590461 777664788 /nfs/dbraw/zinc/66/47/88/777664788.db2.gz FQTZXJHFTHAXNL-SMDDNHRTSA-N 0 3 287.363 2.530 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1CC ZINC001087644820 777672640 /nfs/dbraw/zinc/67/26/40/777672640.db2.gz SBUXMMWGKDXLCD-DLBZAZTESA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1CC ZINC001087668335 777673474 /nfs/dbraw/zinc/67/34/74/777673474.db2.gz QOKAZZPIYUNMJX-ZOFXXKQRSA-N 0 3 290.451 2.968 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(C#N)s2)CC[C@@]1(C)O ZINC001232842179 777683705 /nfs/dbraw/zinc/68/37/05/777683705.db2.gz NERWCBSQPHESKR-SMDDNHRTSA-N 0 3 264.394 2.603 20 30 CFEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC=C)cc1 ZINC001029416827 777692949 /nfs/dbraw/zinc/69/29/49/777692949.db2.gz VCNXCPKRVYNNJH-HDICACEKSA-N 0 3 294.398 2.533 20 30 CFEDHN CCN(CCOC)Cc1ccc(Br)c(C#N)c1 ZINC001232892554 777710165 /nfs/dbraw/zinc/71/01/65/777710165.db2.gz PHKCPGXLYMZXCD-UHFFFAOYSA-N 0 3 297.196 2.789 20 30 CFEDHN Cc1ccc(CN2CCC[C@@](C)(O)[C@H](C)C2)c(C#N)c1 ZINC001232963853 777740552 /nfs/dbraw/zinc/74/05/52/777740552.db2.gz NJPPPFPXFGXYNZ-RHSMWYFYSA-N 0 3 272.392 2.850 20 30 CFEDHN Cc1ccc(CN(C)[C@H]2CC[C@H](O)CC2)c(C#N)c1 ZINC001232964162 777741678 /nfs/dbraw/zinc/74/16/78/777741678.db2.gz QYCPWVOOOZSYSQ-WKILWMFISA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1ccc(CN2CCN3CCCC[C@@H]3C2)c(C#N)c1 ZINC001232966539 777742346 /nfs/dbraw/zinc/74/23/46/777742346.db2.gz PPXOHQORWCBTBA-QGZVFWFLSA-N 0 3 269.392 2.537 20 30 CFEDHN C=C(Cl)CNC[C@@]1(c2ccccc2)C[C@H](NC(C)=O)C1 ZINC001105399630 777742936 /nfs/dbraw/zinc/74/29/36/777742936.db2.gz IXLSVERXDMKAOZ-IYBDPMFKSA-N 0 3 292.810 2.565 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C)F)C1 ZINC001029465216 777762087 /nfs/dbraw/zinc/76/20/87/777762087.db2.gz RINYINVEKZAMAM-KFWWJZLASA-N 0 3 294.414 2.766 20 30 CFEDHN CN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(F)c1C#N ZINC001233096892 777794460 /nfs/dbraw/zinc/79/44/60/777794460.db2.gz NQBBDFGWZWYLSX-BETUJISGSA-N 0 3 287.382 2.995 20 30 CFEDHN CC(C)N1CC[C@@H](Oc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001233506418 777973820 /nfs/dbraw/zinc/97/38/20/777973820.db2.gz GZUGTSIKUHHEEB-GFCCVEGCSA-N 0 3 299.296 2.834 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075866561 777989019 /nfs/dbraw/zinc/98/90/19/777989019.db2.gz IHKKYXLKAVYVHE-MELADBBJSA-N 0 3 298.377 2.531 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(C)c1 ZINC001271956802 778038048 /nfs/dbraw/zinc/03/80/48/778038048.db2.gz HDOKINZKMKFXDI-UHFFFAOYSA-N 0 3 260.381 2.575 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1csnc1C ZINC001233705529 778049560 /nfs/dbraw/zinc/04/95/60/778049560.db2.gz CZNBVUWYICRCTH-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC001088450172 778113380 /nfs/dbraw/zinc/11/33/80/778113380.db2.gz XCYFDTFIAPGBQF-OLZOCXBDSA-N 0 3 278.421 2.825 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CCc1ccccc1 ZINC001233946873 778118981 /nfs/dbraw/zinc/11/89/81/778118981.db2.gz FJCSRBULOHEYAF-SFHVURJKSA-N 0 3 298.430 2.565 20 30 CFEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001040158108 778151728 /nfs/dbraw/zinc/15/17/28/778151728.db2.gz MILZSDXKANMYMO-QGZVFWFLSA-N 0 3 292.398 2.588 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1CCC[C@H]1C ZINC001272019866 778155307 /nfs/dbraw/zinc/15/53/07/778155307.db2.gz CRJJCFJHTUASST-CABCVRRESA-N 0 3 266.429 2.779 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@@H]1CCN2CC#CC ZINC001272035374 778191669 /nfs/dbraw/zinc/19/16/69/778191669.db2.gz VMQLHWFKONIIHK-IKGGRYGDSA-N 0 3 288.435 2.677 20 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CFEDHN C=C[C@H](C(=O)N(C)CCN(C)CCCF)c1ccccc1 ZINC001272178145 778367113 /nfs/dbraw/zinc/36/71/13/778367113.db2.gz DTKMFIHPLRLSTI-INIZCTEOSA-N 0 3 292.398 2.706 20 30 CFEDHN C=CCN(CC=C)Cc1cccc(N2CCOCC2)c1 ZINC001235081522 778373631 /nfs/dbraw/zinc/37/36/31/778373631.db2.gz CWVBXJFNSKYDMJ-UHFFFAOYSA-N 0 3 272.392 2.697 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001075933497 778375475 /nfs/dbraw/zinc/37/54/75/778375475.db2.gz NMWKEDYXWATIKL-ARFHVFGLSA-N 0 3 288.435 2.676 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000989630657 778420534 /nfs/dbraw/zinc/42/05/34/778420534.db2.gz VXSPEKAMLDNSDM-TZMCWYRMSA-N 0 3 288.391 2.537 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000989630649 778421151 /nfs/dbraw/zinc/42/11/51/778421151.db2.gz VXSPEKAMLDNSDM-JSGCOSHPSA-N 0 3 288.391 2.537 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC)CCC1 ZINC001235228728 778423086 /nfs/dbraw/zinc/42/30/86/778423086.db2.gz XDLXNCXTVMLROK-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN CCCC[C@H](CC)CN1C[C@H]2CN(CCC#N)C[C@@H](C1)O2 ZINC001277936160 778451928 /nfs/dbraw/zinc/45/19/28/778451928.db2.gz AXEUJGCCWXIVDR-YESZJQIVSA-N 0 3 293.455 2.501 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC001088713559 778452412 /nfs/dbraw/zinc/45/24/12/778452412.db2.gz VFOSJRZQRNMNCB-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@H]1C ZINC001088721519 778458338 /nfs/dbraw/zinc/45/83/38/778458338.db2.gz RYIMWVOSDXGXLI-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1C ZINC001088803418 778504262 /nfs/dbraw/zinc/50/42/62/778504262.db2.gz IOSMWNROGMMQML-RDBSUJKOSA-N 0 3 264.413 2.578 20 30 CFEDHN CC(C)c1nc(CCN(C)Cc2ccccc2CC#N)no1 ZINC001235511649 778509088 /nfs/dbraw/zinc/50/90/88/778509088.db2.gz KNAJUHLEPFFFLE-UHFFFAOYSA-N 0 3 298.390 2.934 20 30 CFEDHN N#CCc1ccccc1CN1CCC[C@H](CC#N)C1 ZINC001235522709 778510705 /nfs/dbraw/zinc/51/07/05/778510705.db2.gz IUPCVBZFRBLPJF-CQSZACIVSA-N 0 3 253.349 2.878 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@H](Oc2cccnc2)C1 ZINC001235523648 778512181 /nfs/dbraw/zinc/51/21/81/778512181.db2.gz SSRZUHNODLREIW-SFHVURJKSA-N 0 3 293.370 2.801 20 30 CFEDHN CCOC(=O)c1ccc(CN2CCC[C@@H](C#N)CC2)cc1 ZINC001142599899 778518659 /nfs/dbraw/zinc/51/86/59/778518659.db2.gz YYAKVRWZLWHXBP-CQSZACIVSA-N 0 3 286.375 2.989 20 30 CFEDHN CC(C)(C)C#CC(=O)NCCNCc1cc2ccccc2o1 ZINC001126893899 778526713 /nfs/dbraw/zinc/52/67/13/778526713.db2.gz YZICACCAHYDWFQ-UHFFFAOYSA-N 0 3 298.386 2.688 20 30 CFEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040337121 778543672 /nfs/dbraw/zinc/54/36/72/778543672.db2.gz LGTIVJODDGYQLG-GOSISDBHSA-N 0 3 288.435 2.514 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)[C@@H]2C1 ZINC001076078379 778564157 /nfs/dbraw/zinc/56/41/57/778564157.db2.gz ZKZWFDRFUQTIHA-ZOFXXKQRSA-N 0 3 288.435 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4cc[nH]c43)[C@@H]2C1 ZINC001076272991 778580103 /nfs/dbraw/zinc/58/01/03/778580103.db2.gz GQPGJBLKDAXPJD-GOEBONIOSA-N 0 3 295.386 2.500 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001076520818 778592788 /nfs/dbraw/zinc/59/27/88/778592788.db2.gz ZFJLAIRGEMDGSU-DOTOQJQBSA-N 0 3 284.403 2.636 20 30 CFEDHN CN(C)Cc1ccnc(-c2ccc(F)c(C#N)c2)c1 ZINC001235891762 778593071 /nfs/dbraw/zinc/59/30/71/778593071.db2.gz SWPRUVVPQDZNBZ-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN Cc1cc(Cl)cc(CN2CCC3SC(=O)C=C3C2)n1 ZINC001236633602 778899889 /nfs/dbraw/zinc/89/98/89/778899889.db2.gz UCXWMOSWAPRGKD-ZDUSSCGKSA-N 0 3 294.807 2.818 20 30 CFEDHN C=C(C)CN(CC)Cc1cc(OC)cc(C(=O)OC)c1 ZINC001236761951 778930853 /nfs/dbraw/zinc/93/08/53/778930853.db2.gz JTPDNPMTQOXJCZ-UHFFFAOYSA-N 0 3 277.364 2.880 20 30 CFEDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001236812012 778949311 /nfs/dbraw/zinc/94/93/11/778949311.db2.gz XVBRMOGMJHLIDY-CYBMUJFWSA-N 0 3 274.364 2.835 20 30 CFEDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001236812012 778949318 /nfs/dbraw/zinc/94/93/18/778949318.db2.gz XVBRMOGMJHLIDY-CYBMUJFWSA-N 0 3 274.364 2.835 20 30 CFEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CC(C)(C)C)C2 ZINC001045913369 778949409 /nfs/dbraw/zinc/94/94/09/778949409.db2.gz STFJJFQXZNERKE-SFHVURJKSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@H]1C ZINC001088923762 778951083 /nfs/dbraw/zinc/95/10/83/778951083.db2.gz RUDNMLCPPBZNQD-ZENOOKHLSA-N 0 3 290.407 2.765 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H]1C ZINC001088994123 778968970 /nfs/dbraw/zinc/96/89/70/778968970.db2.gz ULBKITGNMJESAM-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1C ZINC001089016254 778973394 /nfs/dbraw/zinc/97/33/94/778973394.db2.gz QMTIMRKFFBQAJD-ABAIWWIYSA-N 0 3 294.345 2.734 20 30 CFEDHN Cc1ccc(CN2CCCC[C@](C)(O)C2)c(C#N)c1 ZINC001232961913 778999988 /nfs/dbraw/zinc/99/99/88/778999988.db2.gz JPONMIQFKOMTQG-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@]2(CCO2)C1 ZINC001233083131 779017706 /nfs/dbraw/zinc/01/77/06/779017706.db2.gz WWGVFIWOWGIXBQ-MRXNPFEDSA-N 0 3 256.349 2.622 20 30 CFEDHN CC(C)CN1CCN(Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237528020 779127003 /nfs/dbraw/zinc/12/70/03/779127003.db2.gz OQNKWNSDGIHPGZ-UHFFFAOYSA-N 0 3 293.361 2.610 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCC(OC2CCCC2)CC1 ZINC001121944487 779139532 /nfs/dbraw/zinc/13/95/32/779139532.db2.gz PXSQXGLDAIKPMD-INIZCTEOSA-N 0 3 294.439 2.620 20 30 CFEDHN C#CCN(C(=O)[C@H](C)CC)C1CCN(CC(=C)C)CC1 ZINC001278121917 779142666 /nfs/dbraw/zinc/14/26/66/779142666.db2.gz RBRANGLERFIZDM-OAHLLOKOSA-N 0 3 276.424 2.535 20 30 CFEDHN C#CCN(C(=O)CCCF)C1CCN(CC=C(C)C)CC1 ZINC001278169702 779207863 /nfs/dbraw/zinc/20/78/63/779207863.db2.gz QUYTZMNBWJBSLZ-UHFFFAOYSA-N 0 3 294.414 2.629 20 30 CFEDHN C=CC(C=C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657627 779261511 /nfs/dbraw/zinc/26/15/11/779261511.db2.gz FSEPTLUFYPKBRB-UHFFFAOYSA-N 0 3 272.392 2.948 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC001272637044 779359200 /nfs/dbraw/zinc/35/92/00/779359200.db2.gz HKXQLCUZACHRKK-QWHCGFSZSA-N 0 3 270.804 2.580 20 30 CFEDHN N#CCc1ccccc1CN1CCC[C@@H](C#N)CC1 ZINC001235524873 779360645 /nfs/dbraw/zinc/36/06/45/779360645.db2.gz BNBSFRLHLBLDGT-CQSZACIVSA-N 0 3 253.349 2.878 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235780124 779377926 /nfs/dbraw/zinc/37/79/26/779377926.db2.gz SAYLTMLMEAWVOV-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN CCc1cc(CN2CC[C@@]3(CCCO3)C2)ccc1C#N ZINC001238760996 779384677 /nfs/dbraw/zinc/38/46/77/779384677.db2.gz RGPGXOWFXNKPDO-KRWDZBQOSA-N 0 3 270.376 2.876 20 30 CFEDHN CCc1cc(CN2CCC[C@](F)(CO)CC2)ccc1C#N ZINC001238766525 779385068 /nfs/dbraw/zinc/38/50/68/779385068.db2.gz OHCWQNIXBPQLCU-QGZVFWFLSA-N 0 3 290.382 2.807 20 30 CFEDHN CCc1cc(CN2CC([C@@H](C)OC)C2)ccc1C#N ZINC001238769831 779387001 /nfs/dbraw/zinc/38/70/01/779387001.db2.gz VMUNUKKCCGGLPP-GFCCVEGCSA-N 0 3 258.365 2.587 20 30 CFEDHN C=CCCN1CCC(F)(F)[C@@H](CNC(=O)c2ccco2)C1 ZINC001046901257 779401928 /nfs/dbraw/zinc/40/19/28/779401928.db2.gz DENSJDLKMDBTFA-LBPRGKRZSA-N 0 3 298.333 2.543 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C(C)=C2CCC2)CC(C)(C)C1 ZINC001089385009 779448933 /nfs/dbraw/zinc/44/89/33/779448933.db2.gz WUDWNDWNAFTZTO-MRXNPFEDSA-N 0 3 288.435 2.727 20 30 CFEDHN CCCCCCC[C@H](C)NC(=O)N[C@H]1CCNC[C@@H]1F ZINC001239204672 779468932 /nfs/dbraw/zinc/46/89/32/779468932.db2.gz JJTKNLNBOFOSJC-IHRRRGAJSA-N 0 3 287.423 2.735 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464915 779489606 /nfs/dbraw/zinc/48/96/06/779489606.db2.gz MBECZAMRANYPSI-CABCVRRESA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089468632 779490822 /nfs/dbraw/zinc/49/08/22/779490822.db2.gz ZKNDPSVYNIYGPV-QAPCUYQASA-N 0 3 288.435 2.583 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC1 ZINC001089593555 779533425 /nfs/dbraw/zinc/53/34/25/779533425.db2.gz NDGNSSLYYXQBED-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1=CCCC1 ZINC001089626842 779546542 /nfs/dbraw/zinc/54/65/42/779546542.db2.gz PYQYNVNUKCLJJO-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089627577 779548798 /nfs/dbraw/zinc/54/87/98/779548798.db2.gz ZROBJHVHDLOIAR-UONOGXRCSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)C)C1 ZINC001089775097 779590508 /nfs/dbraw/zinc/59/05/08/779590508.db2.gz DUYQCIZVZJRKBH-AJNGGQMLSA-N 0 3 296.842 2.564 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C(C)(F)F)cc1 ZINC001272683308 779598665 /nfs/dbraw/zinc/59/86/65/779598665.db2.gz PMEQDEHRCWMDNC-GFCCVEGCSA-N 0 3 294.345 2.632 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C\c1ccco1 ZINC001032254779 779793466 /nfs/dbraw/zinc/79/34/66/779793466.db2.gz PUQDRRGLSUNGSW-LUNKNMTDSA-N 0 3 286.375 2.544 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107702066 779882851 /nfs/dbraw/zinc/88/28/51/779882851.db2.gz ITRJLHOOYXTZMZ-DOTOQJQBSA-N 0 3 296.455 2.594 20 30 CFEDHN CCCCCCCCCOC(=O)N[C@H]1CCOC12CNC2 ZINC001239317695 779923718 /nfs/dbraw/zinc/92/37/18/779923718.db2.gz HUPUYUDYVDBFSW-AWEZNQCLSA-N 0 3 298.427 2.594 20 30 CFEDHN CN(C)Cc1ccnc(-c2ccc(C#N)c(F)c2)c1 ZINC001240146219 779967514 /nfs/dbraw/zinc/96/75/14/779967514.db2.gz YKPSIPNTWQMGBJ-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN N#Cc1ccc(-c2ccc3[nH]c(N)nc3c2)cc1F ZINC001240154642 779975407 /nfs/dbraw/zinc/97/54/07/779975407.db2.gz AQUICIMCXSXAAN-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN N#Cc1ccc(-c2ccc3nc(N)[nH]c3c2)cc1F ZINC001240154642 779975411 /nfs/dbraw/zinc/97/54/11/779975411.db2.gz AQUICIMCXSXAAN-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC001272800014 780008032 /nfs/dbraw/zinc/00/80/32/780008032.db2.gz CXHYQTIUOHQUJS-UKRRQHHQSA-N 0 3 284.831 2.970 20 30 CFEDHN CC#CCN1CCC2(CN(C(=O)CC(C)(C)CC)C2)CC1 ZINC001272805292 780012335 /nfs/dbraw/zinc/01/23/35/780012335.db2.gz OKVQIEQXDCDLTB-UHFFFAOYSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1C ZINC001032534223 780017194 /nfs/dbraw/zinc/01/71/94/780017194.db2.gz WGQZBZCIIKJQRM-HOTGVXAUSA-N 0 3 299.418 2.563 20 30 CFEDHN COc1ccc([C@@H]2C[C@@H](NCC3(C#N)CC3)CCO2)cc1 ZINC001168598135 780030527 /nfs/dbraw/zinc/03/05/27/780030527.db2.gz CWJOTXXNEJKYBH-HOCLYGCPSA-N 0 3 286.375 2.809 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC ZINC001032594414 780059497 /nfs/dbraw/zinc/05/94/97/780059497.db2.gz VEYKLLRZPKOLHU-HOTGVXAUSA-N 0 3 284.403 2.724 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(F)(F)C1 ZINC001032725287 780153799 /nfs/dbraw/zinc/15/37/99/780153799.db2.gz ILTLKRSAUAKFRZ-STQMWFEESA-N 0 3 298.377 2.673 20 30 CFEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC001116620709 780200909 /nfs/dbraw/zinc/20/09/09/780200909.db2.gz MGOXCIMBTUBDQH-HIFRSBDPSA-N 0 3 271.364 2.724 20 30 CFEDHN COC(=O)[C@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC001116835884 780245612 /nfs/dbraw/zinc/24/56/12/780245612.db2.gz UDAISLVTKUHWHA-LSDHHAIUSA-N 0 3 291.778 2.623 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(F)c(F)c1 ZINC001128242333 780369489 /nfs/dbraw/zinc/36/94/89/780369489.db2.gz NEUMGBAOKFDKIM-UHFFFAOYSA-N 0 3 296.361 2.773 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032944289 780517265 /nfs/dbraw/zinc/51/72/65/780517265.db2.gz XFFMNWQWDWVTKF-HNNXBMFYSA-N 0 3 262.397 2.596 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001032985972 780526730 /nfs/dbraw/zinc/52/67/30/780526730.db2.gz KNSUXJDKLWTYQU-WCVJEAGWSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033031979 780536525 /nfs/dbraw/zinc/53/65/25/780536525.db2.gz FFUPIGHMWQIMMI-MRXNPFEDSA-N 0 3 276.424 2.986 20 30 CFEDHN C=CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(F)F ZINC001098850591 780562029 /nfs/dbraw/zinc/56/20/29/780562029.db2.gz XOZPOADKROYGTP-LBPRGKRZSA-N 0 3 288.382 2.825 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033106874 780566041 /nfs/dbraw/zinc/56/60/41/780566041.db2.gz IRUOOLODXBJAHA-CQSZACIVSA-N 0 3 290.432 2.535 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001033138821 780579446 /nfs/dbraw/zinc/57/94/46/780579446.db2.gz BWWCGWNHYSIQLZ-ZDUSSCGKSA-N 0 3 291.395 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033152830 780584039 /nfs/dbraw/zinc/58/40/39/780584039.db2.gz TUWUZLNZFCAMEG-MRXNPFEDSA-N 0 3 290.451 2.903 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033195712 780609715 /nfs/dbraw/zinc/60/97/15/780609715.db2.gz JTCJZYGGIDRAIQ-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033256746 780633028 /nfs/dbraw/zinc/63/30/28/780633028.db2.gz YSGTXVCZTAPEEU-HNNXBMFYSA-N 0 3 297.402 2.662 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329517 780653399 /nfs/dbraw/zinc/65/33/99/780653399.db2.gz QOQDQTKDNJWONY-HZPDHXFCSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329515 780654041 /nfs/dbraw/zinc/65/40/41/780654041.db2.gz QOQDQTKDNJWONY-HOTGVXAUSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339494 780660503 /nfs/dbraw/zinc/66/05/03/780660503.db2.gz VUXDFWGMEJIINM-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033346721 780661940 /nfs/dbraw/zinc/66/19/40/780661940.db2.gz SEWZHLFQELAXPH-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033387584 780673810 /nfs/dbraw/zinc/67/38/10/780673810.db2.gz JMRCPMNHSLWYBW-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033588688 780719592 /nfs/dbraw/zinc/71/95/92/780719592.db2.gz HAUZSVJEHFGBLH-WMZOPIPTSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033597975 780722046 /nfs/dbraw/zinc/72/20/46/780722046.db2.gz BZLPAFYNYWWGMX-FGTMMUONSA-N 0 3 298.430 2.899 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033641528 780739770 /nfs/dbraw/zinc/73/97/70/780739770.db2.gz FMCBKFDKEHSRDQ-KRWDZBQOSA-N 0 3 298.430 2.781 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033692726 780750811 /nfs/dbraw/zinc/75/08/11/780750811.db2.gz LVHLLCJLSPAYIF-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033697541 780752453 /nfs/dbraw/zinc/75/24/53/780752453.db2.gz HOVCKJSXGMPCCQ-UPTPFMHGSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033700137 780755899 /nfs/dbraw/zinc/75/58/99/780755899.db2.gz SAFPEXQLLFCRBY-NSHDSACASA-N 0 3 282.384 2.610 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033704433 780756156 /nfs/dbraw/zinc/75/61/56/780756156.db2.gz LLDWFNXLOPFAJZ-CQSZACIVSA-N 0 3 288.391 2.573 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CC2(C)C)C1 ZINC001033794513 780791604 /nfs/dbraw/zinc/79/16/04/780791604.db2.gz HQXOQHYMOMUNIT-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033945876 780840453 /nfs/dbraw/zinc/84/04/53/780840453.db2.gz QEVNDKBEUHZULO-QGZVFWFLSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034076274 780878236 /nfs/dbraw/zinc/87/82/36/780878236.db2.gz NFHSCBARKJIOKY-OAHLLOKOSA-N 0 3 276.355 2.596 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001034184298 780916701 /nfs/dbraw/zinc/91/67/01/780916701.db2.gz ONHIZALSCUQXKC-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034265351 780935604 /nfs/dbraw/zinc/93/56/04/780935604.db2.gz KDWKKEMYKIUYOD-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001034352501 780955392 /nfs/dbraw/zinc/95/53/92/780955392.db2.gz PRXYZRMAWOEODN-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001034359486 780958289 /nfs/dbraw/zinc/95/82/89/780958289.db2.gz BRLGYMUIJBWDBK-CQSZACIVSA-N 0 3 289.423 2.908 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001034433175 780975058 /nfs/dbraw/zinc/97/50/58/780975058.db2.gz CNNAUCJNWICODD-INIZCTEOSA-N 0 3 297.402 2.710 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034471999 780982337 /nfs/dbraw/zinc/98/23/37/780982337.db2.gz NTXRJQNPLNZGQD-HNNXBMFYSA-N 0 3 294.414 2.653 20 30 CFEDHN CN1CCC=C(c2ccc(C3(C#N)CCC3)cn2)C1 ZINC001241566073 780982913 /nfs/dbraw/zinc/98/29/13/780982913.db2.gz TZGZWOOBFKYNQA-UHFFFAOYSA-N 0 3 253.349 2.746 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001034512387 780990070 /nfs/dbraw/zinc/99/00/70/780990070.db2.gz LWRVNHUEXLTFEW-KRWDZBQOSA-N 0 3 298.430 2.875 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CNCc2cccnc2)C1 ZINC001035042028 781103149 /nfs/dbraw/zinc/10/31/49/781103149.db2.gz VXRZYCDJIPVUSW-MRXNPFEDSA-N 0 3 299.418 2.519 20 30 CFEDHN CCCCCCCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000704717148 781109208 /nfs/dbraw/zinc/10/92/08/781109208.db2.gz GCMVNVCCTZHKGM-CQSZACIVSA-N 0 3 254.418 2.803 20 30 CFEDHN COc1cccc(-c2cccc(CN(C)C)n2)c1C#N ZINC001242299624 781380387 /nfs/dbraw/zinc/38/03/87/781380387.db2.gz PIFKYBFHGGYVJX-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN Cc1cc(C#N)cc(-c2cc(CN(C)C)ccn2)c1 ZINC001242478616 781532732 /nfs/dbraw/zinc/53/27/32/781532732.db2.gz HYCBKQSNXMTCLY-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C[N@@H+]1CCc2ccc(-c3ccc([O-])c(C#N)c3)cc2C1 ZINC001242566336 781606901 /nfs/dbraw/zinc/60/69/01/781606901.db2.gz UNDBLOYDSMBLOF-UHFFFAOYSA-N 0 3 264.328 2.919 20 30 CFEDHN C[N@H+]1CCc2ccc(-c3ccc([O-])c(C#N)c3)cc2C1 ZINC001242566336 781606903 /nfs/dbraw/zinc/60/69/03/781606903.db2.gz UNDBLOYDSMBLOF-UHFFFAOYSA-N 0 3 264.328 2.919 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001079729468 781618074 /nfs/dbraw/zinc/61/80/74/781618074.db2.gz IZJTVVSDYHAQKG-QKPAOTATSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079949320 781629349 /nfs/dbraw/zinc/62/93/49/781629349.db2.gz YEYQMIRBOAFOJH-IXDOHACOSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080099315 781635411 /nfs/dbraw/zinc/63/54/11/781635411.db2.gz DNGWZFGZBQEFBD-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001080389627 781655032 /nfs/dbraw/zinc/65/50/32/781655032.db2.gz VDXIELDFQKBGRG-XSCHDIRWSA-N 0 3 282.403 2.527 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001080367725 781656714 /nfs/dbraw/zinc/65/67/14/781656714.db2.gz RMOUWWPCTWZMDH-CZUORRHYSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001080486269 781663145 /nfs/dbraw/zinc/66/31/45/781663145.db2.gz BKVFBEQYFYOULD-CZUORRHYSA-N 0 3 297.402 2.794 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001080503134 781666386 /nfs/dbraw/zinc/66/63/86/781666386.db2.gz GKKFDRDLAPUGNY-UUAJXVIYSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754382 781675911 /nfs/dbraw/zinc/67/59/11/781675911.db2.gz JSTVEYLLZOMBQP-IIAWOOMASA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001080836149 781681455 /nfs/dbraw/zinc/68/14/55/781681455.db2.gz WBPGBGKTPXOGRX-CRAIPNDOSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001081040453 781694790 /nfs/dbraw/zinc/69/47/90/781694790.db2.gz DXCPZJMXIDRRFX-CZUORRHYSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1c1ccccc1 ZINC001081170858 781702927 /nfs/dbraw/zinc/70/29/27/781702927.db2.gz RTXDJBINHGRJGW-DLBZAZTESA-N 0 3 298.430 2.640 20 30 CFEDHN CCN1CCCC[C@H]1c1ccc(N(C)CC#N)nc1 ZINC001165095968 781735838 /nfs/dbraw/zinc/73/58/38/781735838.db2.gz UEDKQTXNQXQFAA-AWEZNQCLSA-N 0 3 258.369 2.588 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001084157874 781773979 /nfs/dbraw/zinc/77/39/79/781773979.db2.gz HEWFWEXVMRDGGI-ZIAGYGMSSA-N 0 3 290.432 2.779 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001084444647 781797517 /nfs/dbraw/zinc/79/75/17/781797517.db2.gz ACIRAEVNVKEMRH-BRWVUGGUSA-N 0 3 288.435 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001084495789 781799213 /nfs/dbraw/zinc/79/92/13/781799213.db2.gz HLPIFVFBNDFBTN-QZTJIDSGSA-N 0 3 298.430 2.646 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001084581704 781805765 /nfs/dbraw/zinc/80/57/65/781805765.db2.gz RRTUWBYUVXVPAZ-GVDBMIGSSA-N 0 3 288.435 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084639105 781812632 /nfs/dbraw/zinc/81/26/32/781812632.db2.gz FLEYKHPCGXELBS-BZUAXINKSA-N 0 3 290.451 2.922 20 30 CFEDHN COC[C@H](CNCc1cccc(F)c1C#N)C(C)C ZINC001119982098 781884509 /nfs/dbraw/zinc/88/45/09/781884509.db2.gz BEZWBYAWYHKCKH-ZDUSSCGKSA-N 0 3 264.344 2.706 20 30 CFEDHN COCCOC[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594511310 349435860 /nfs/dbraw/zinc/43/58/60/349435860.db2.gz FKIWNRQUFFCMSU-CQSZACIVSA-N 0 3 290.407 2.629 20 30 CFEDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594514045 349437339 /nfs/dbraw/zinc/43/73/39/349437339.db2.gz OSTKLWHZVPLGNX-DOMZBBRYSA-N 0 3 292.448 2.690 20 30 CFEDHN C[C@H](Cc1ccccn1)NCc1ccc(C#N)cc1F ZINC000594516875 349439404 /nfs/dbraw/zinc/43/94/04/349439404.db2.gz GWDAEJGUBSVQME-GFCCVEGCSA-N 0 3 269.323 2.813 20 30 CFEDHN N#Cc1ccc(CCOc2ccc3c(c2)OCCNC3)cc1 ZINC000594690120 349474496 /nfs/dbraw/zinc/47/44/96/349474496.db2.gz FETNMNLMHYJYSW-UHFFFAOYSA-N 0 3 294.354 2.662 20 30 CFEDHN C[C@H](NCCO[C@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000594721050 349480517 /nfs/dbraw/zinc/48/05/17/349480517.db2.gz LHCXCPXYGNGTBX-GWCFXTLKSA-N 0 3 266.291 2.633 20 30 CFEDHN C[C@H](N[C@@H]1COC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000594733230 349483006 /nfs/dbraw/zinc/48/30/06/349483006.db2.gz ZROTYJGAHDHPBN-WFASDCNBSA-N 0 3 256.349 2.920 20 30 CFEDHN CC[C@@H](C)NC(=O)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594920883 349508820 /nfs/dbraw/zinc/50/88/20/349508820.db2.gz BJIBEAVDFOGONL-CQSZACIVSA-N 0 3 299.418 2.636 20 30 CFEDHN C=CCSCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594921003 349508313 /nfs/dbraw/zinc/50/83/13/349508313.db2.gz OUSGKODEQMDWJU-MRXNPFEDSA-N 0 3 293.432 2.863 20 30 CFEDHN C=CCSCCNCc1c(C2CCC2)cnn1C ZINC000594922993 349509778 /nfs/dbraw/zinc/50/97/78/349509778.db2.gz WMRPVDQRAHRPIW-UHFFFAOYSA-N 0 3 265.426 2.696 20 30 CFEDHN Cc1nccn1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594923465 349510672 /nfs/dbraw/zinc/51/06/72/349510672.db2.gz HFGKTQCNFCLZFN-UHFFFAOYSA-N 0 3 280.375 2.537 20 30 CFEDHN C=C(C)COCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594930434 349514909 /nfs/dbraw/zinc/51/49/09/349514909.db2.gz FVFLUKWSVHXMLM-UHFFFAOYSA-N 0 3 270.376 2.924 20 30 CFEDHN CC(C)n1ccnc1CNCC1CCC(C#N)CC1 ZINC000594935991 349517611 /nfs/dbraw/zinc/51/76/11/349517611.db2.gz GGTSGTZOQJZXTE-UHFFFAOYSA-N 0 3 260.385 2.884 20 30 CFEDHN CCOc1cccc(CNCCc2ccc(C#N)cc2)n1 ZINC000594954489 349527016 /nfs/dbraw/zinc/52/70/16/349527016.db2.gz GNDJAWZKLMSVFD-UHFFFAOYSA-N 0 3 281.359 2.684 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124763473 187152315 /nfs/dbraw/zinc/15/23/15/187152315.db2.gz FHWUPNSWUMFHLI-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)OCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594946590 349524396 /nfs/dbraw/zinc/52/43/96/349524396.db2.gz QBWOKPOOKYIEKV-UHFFFAOYSA-N 0 3 258.365 2.756 20 30 CFEDHN CC[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CO1 ZINC000594954826 349527618 /nfs/dbraw/zinc/52/76/18/349527618.db2.gz KMCUZYJKUVZTOX-CABCVRRESA-N 0 3 256.349 2.704 20 30 CFEDHN CC(C)(C)n1cc(CNCCc2ccc(C#N)cc2)cn1 ZINC000594956211 349527965 /nfs/dbraw/zinc/52/79/65/349527965.db2.gz VZGXMCPOYBTHBZ-UHFFFAOYSA-N 0 3 282.391 2.842 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1ccc(C#N)c(OC)c1 ZINC000594955593 349527974 /nfs/dbraw/zinc/52/79/74/349527974.db2.gz CNVQPTFJIMTGBW-MRXNPFEDSA-N 0 3 288.391 2.862 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000594958322 349528978 /nfs/dbraw/zinc/52/89/78/349528978.db2.gz PTWRNRIWSKDHEZ-DTZQCDIJSA-N 0 3 286.375 2.819 20 30 CFEDHN C=CCCSCCNCc1cnn(CCC)c1 ZINC000594960534 349530059 /nfs/dbraw/zinc/53/00/59/349530059.db2.gz RSTHTAMKSSGNMG-UHFFFAOYSA-N 0 3 253.415 2.692 20 30 CFEDHN C=CCCSCCNCc1cccc2nccn21 ZINC000594960402 349530135 /nfs/dbraw/zinc/53/01/35/349530135.db2.gz PVFWURQOMURGBL-UHFFFAOYSA-N 0 3 261.394 2.733 20 30 CFEDHN C=CCCSCCNCc1c(CC)nn(C)c1CC ZINC000594959914 349530456 /nfs/dbraw/zinc/53/04/56/349530456.db2.gz FTSWTVQLWDZWQI-UHFFFAOYSA-N 0 3 281.469 2.944 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000594961144 349531145 /nfs/dbraw/zinc/53/11/45/349531145.db2.gz GBELOVNMPRJGRV-CQSZACIVSA-N 0 3 275.371 2.660 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNCc1ccc(C#N)c(F)c1 ZINC000594965191 349533520 /nfs/dbraw/zinc/53/35/20/349533520.db2.gz RKBYNQRJEKNCCH-CQSZACIVSA-N 0 3 275.371 2.660 20 30 CFEDHN N#Cc1cccc(C2(NCc3cc[nH]c3)CCOCC2)c1 ZINC000594984051 349538749 /nfs/dbraw/zinc/53/87/49/349538749.db2.gz LOLKWLYLGRFKAG-UHFFFAOYSA-N 0 3 281.359 2.682 20 30 CFEDHN C[C@H](CSCCF)NCc1ccc(C#N)cc1F ZINC000595009502 349547626 /nfs/dbraw/zinc/54/76/26/349547626.db2.gz BXVPEHRCWQXPRF-SNVBAGLBSA-N 0 3 270.348 2.878 20 30 CFEDHN CCn1ccnc1[C@H](C)NCCc1ccc(C#N)cc1 ZINC000595055247 349566577 /nfs/dbraw/zinc/56/65/77/349566577.db2.gz BPUIOGXVJPIHFN-ZDUSSCGKSA-N 0 3 268.364 2.668 20 30 CFEDHN Cn1ccnc1[C@@H](NCCc1ccc(C#N)cc1)C1CC1 ZINC000595056042 349567332 /nfs/dbraw/zinc/56/73/32/349567332.db2.gz PRXWFBIPVMNALD-INIZCTEOSA-N 0 3 280.375 2.575 20 30 CFEDHN C[C@H](N[C@@H](C)C1(CO)CC1)c1ccc(C#N)c(F)c1 ZINC000595069968 349573432 /nfs/dbraw/zinc/57/34/32/349573432.db2.gz UGEBQYSVKBEGMW-QWRGUYRKSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595089477 349577248 /nfs/dbraw/zinc/57/72/48/349577248.db2.gz IWUPEWXLFBMLGW-CQDKDKBSSA-N 0 3 256.349 2.512 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595089479 349577564 /nfs/dbraw/zinc/57/75/64/349577564.db2.gz IWUPEWXLFBMLGW-NILFDRSVSA-N 0 3 256.349 2.512 20 30 CFEDHN C[C@H](NCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000595091230 349578179 /nfs/dbraw/zinc/57/81/79/349578179.db2.gz OJHDMENFJKDOET-KBPBESRZSA-N 0 3 250.386 2.865 20 30 CFEDHN Cn1ncc(C2CCC2)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000595099140 349581025 /nfs/dbraw/zinc/58/10/25/349581025.db2.gz RQKTVQROUJHKIN-JSGCOSHPSA-N 0 3 272.396 2.860 20 30 CFEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1F ZINC000595254927 349587253 /nfs/dbraw/zinc/58/72/53/349587253.db2.gz DLINSLZSWJPWQQ-GJZGRUSLSA-N 0 3 291.370 2.660 20 30 CFEDHN C=CCCSCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000595257246 349588415 /nfs/dbraw/zinc/58/84/15/349588415.db2.gz RLDNORRSPLSQTA-CQSZACIVSA-N 0 3 278.421 2.502 20 30 CFEDHN C[C@H]1CC[C@@](C)(CNC(=O)[C@@H](N)CCCC#N)C1(C)C ZINC000595257841 349588511 /nfs/dbraw/zinc/58/85/11/349588511.db2.gz YULYHEITICJLJH-XEZPLFJOSA-N 0 3 279.428 2.586 20 30 CFEDHN N#Cc1c(F)cccc1N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595289765 349591552 /nfs/dbraw/zinc/59/15/52/349591552.db2.gz RTTYXDJBLCENRK-QDMKHBRRSA-N 0 3 299.393 2.865 20 30 CFEDHN CN1CCCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595291204 349592580 /nfs/dbraw/zinc/59/25/80/349592580.db2.gz HRIRRDMSZWFELY-CQSZACIVSA-N 0 3 263.772 2.542 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1ccc(C#N)cc1 ZINC000595411312 349618683 /nfs/dbraw/zinc/61/86/83/349618683.db2.gz GQKFTCMTWSHJEP-KKBVYLPWSA-N 0 3 297.402 2.656 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1cccc(C#N)c1 ZINC000595414300 349618825 /nfs/dbraw/zinc/61/88/25/349618825.db2.gz GXVSCPCICGUZCN-KKBVYLPWSA-N 0 3 297.402 2.656 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@H](C(F)F)C2)cc1 ZINC000595403902 349617319 /nfs/dbraw/zinc/61/73/19/349617319.db2.gz NDRLWGZEBSRFNA-ZDUSSCGKSA-N 0 3 250.292 2.688 20 30 CFEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CC2CC=CC2)CC1 ZINC000595425549 349621399 /nfs/dbraw/zinc/62/13/99/349621399.db2.gz GBNPRGXLEXEXLY-SFHVURJKSA-N 0 3 299.393 2.974 20 30 CFEDHN C[C@@]1(NCc2cccc(C#N)c2)CCO[C@H]1C1CC1 ZINC000273103897 192044190 /nfs/dbraw/zinc/04/41/90/192044190.db2.gz WFECCGGNSNKQQG-JKSUJKDBSA-N 0 3 256.349 2.605 20 30 CFEDHN CO[C@H](CN[C@@H](CCC#N)c1ccccc1)[C@@H]1CCOC1 ZINC000595418185 349619609 /nfs/dbraw/zinc/61/96/09/349619609.db2.gz DHSAAQQDFZGBCI-IXDOHACOSA-N 0 3 288.391 2.673 20 30 CFEDHN COC[C@@H](NCCc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000595433075 349624771 /nfs/dbraw/zinc/62/47/71/349624771.db2.gz UYEIMSNXRCLSTK-MRXNPFEDSA-N 0 3 284.359 2.980 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000595447596 349629513 /nfs/dbraw/zinc/62/95/13/349629513.db2.gz IQWRGUDHMWFXLI-HZSPNIEDSA-N 0 3 258.365 2.598 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN(CCCC3CCC3)C2)nc1 ZINC000595502492 349643445 /nfs/dbraw/zinc/64/34/45/349643445.db2.gz SMKPKMXNKHNJLQ-MRXNPFEDSA-N 0 3 285.391 2.987 20 30 CFEDHN CC[C@H](C)N(CC)CC(=O)Nc1sccc1C#N ZINC000595592036 349666730 /nfs/dbraw/zinc/66/67/30/349666730.db2.gz AMVPEUNUPNRLBX-JTQLQIEISA-N 0 3 265.382 2.679 20 30 CFEDHN COc1cccc(OCCN2CCC[C@@H](CC#N)C2)c1 ZINC000595619438 349678505 /nfs/dbraw/zinc/67/85/05/349678505.db2.gz BCTANSVBILZOAW-AWEZNQCLSA-N 0 3 274.364 2.700 20 30 CFEDHN N#CC[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595618450 349678729 /nfs/dbraw/zinc/67/87/29/349678729.db2.gz YDVJBDRFCFXYQW-INIZCTEOSA-N 0 3 253.349 2.726 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000595635075 349685148 /nfs/dbraw/zinc/68/51/48/349685148.db2.gz JPIPTUYBECYEFZ-VHDGCEQUSA-N 0 3 290.794 2.804 20 30 CFEDHN C[C@H]1CC[C@H](CNC(C)(C)c2cccc(C#N)c2)O1 ZINC000595638385 349685485 /nfs/dbraw/zinc/68/54/85/349685485.db2.gz CMAPAACTYKBQJR-SWLSCSKDSA-N 0 3 258.365 2.950 20 30 CFEDHN CC(C)(NCCO[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000595638391 349685625 /nfs/dbraw/zinc/68/56/25/349685625.db2.gz CPLCSMKOTIPLSR-MRXNPFEDSA-N 0 3 288.391 2.926 20 30 CFEDHN C=CCN(CCc1ccc(C#N)cc1)[C@@H](C)COC ZINC000595638678 349686045 /nfs/dbraw/zinc/68/60/45/349686045.db2.gz KUZKKOXHXCKTKW-AWEZNQCLSA-N 0 3 258.365 2.624 20 30 CFEDHN Cn1c2ccccc2nc1CCN1CCC[C@H](CC#N)C1 ZINC000595619829 349679311 /nfs/dbraw/zinc/67/93/11/349679311.db2.gz HGEUZXFUAVJUFM-CQSZACIVSA-N 0 3 282.391 2.741 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000595657927 349692143 /nfs/dbraw/zinc/69/21/43/349692143.db2.gz COWGNDFXKLDQMZ-ZMSDIMECSA-N 0 3 291.439 2.717 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1cc(F)ccc1F ZINC000354666067 529535668 /nfs/dbraw/zinc/53/56/68/529535668.db2.gz ZOOBIQPHVBVINK-UFBFGSQYSA-N 0 3 252.264 2.692 20 30 CFEDHN COc1ccc(CN2CCCC[C@@H]2[C@@H](C)CO)cc1C#N ZINC000595676762 349697240 /nfs/dbraw/zinc/69/72/40/349697240.db2.gz NZTVGPPEXXEPJX-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1cccc([C@]2(C)CCN(CCCC#N)C2)c1 ZINC000595765436 349726958 /nfs/dbraw/zinc/72/69/58/349726958.db2.gz KYPFUIKKJVOYFX-MRXNPFEDSA-N 0 3 258.365 2.962 20 30 CFEDHN CC[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000595764490 349727100 /nfs/dbraw/zinc/72/71/00/349727100.db2.gz BYUOITMAMREFGM-CQSZACIVSA-N 0 3 282.347 2.886 20 30 CFEDHN CC(C)OCCNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595768144 349728179 /nfs/dbraw/zinc/72/81/79/349728179.db2.gz GLVCYXNHGYEWSP-UHFFFAOYSA-N 0 3 288.391 2.579 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C[C@H](O)C23CCC3)c(Cl)c1 ZINC000595779489 349730910 /nfs/dbraw/zinc/73/09/10/349730910.db2.gz FQQXLWGXUTUEHP-KBPBESRZSA-N 0 3 276.767 2.605 20 30 CFEDHN C=CCC1(NCc2nc(C(=O)OC)cs2)CCCC1 ZINC000595780236 349731571 /nfs/dbraw/zinc/73/15/71/349731571.db2.gz MKHNWMVQQAQGGP-UHFFFAOYSA-N 0 3 280.393 2.908 20 30 CFEDHN C[C@@]1(C#N)CCN(CCCCCN2CC[C@](C)(C#N)C2)C1 ZINC000595839701 349750570 /nfs/dbraw/zinc/75/05/70/349750570.db2.gz IHCCGVZAFSRKFT-CALCHBBNSA-N 0 3 288.439 2.628 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC)cn1 ZINC000595844935 349754073 /nfs/dbraw/zinc/75/40/73/349754073.db2.gz IOHUTHFMMANTQK-GASCZTMLSA-N 0 3 272.348 2.551 20 30 CFEDHN CC(C)(C#N)CCCN[C@H](CO)c1ccc(F)cc1F ZINC000595867729 349757717 /nfs/dbraw/zinc/75/77/17/349757717.db2.gz PJZRSLNWDXLTEI-CQSZACIVSA-N 0 3 282.334 2.918 20 30 CFEDHN CCN(Cc1ccc(C)cc1)C(=O)[C@H](N)CCCCC#N ZINC000595966450 349772987 /nfs/dbraw/zinc/77/29/87/349772987.db2.gz GJJJKXBFMOLEAB-MRXNPFEDSA-N 0 3 287.407 2.755 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1nc2ncccc2cc1C#N ZINC000596075675 349787954 /nfs/dbraw/zinc/78/79/54/349787954.db2.gz JDFQCYNJEHDUOG-CYBMUJFWSA-N 0 3 295.390 2.788 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000347198268 529652724 /nfs/dbraw/zinc/65/27/24/529652724.db2.gz VQSUFVUUUJXSCL-NKWVEPMBSA-N 0 3 291.298 2.889 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOCCF ZINC000596096681 349793847 /nfs/dbraw/zinc/79/38/47/349793847.db2.gz XAEDUCQCUWODBI-OAHLLOKOSA-N 0 3 262.328 2.511 20 30 CFEDHN N#Cc1ccc(CN2CCN(C3CCCCC3)CC2)o1 ZINC000126488321 187242758 /nfs/dbraw/zinc/24/27/58/187242758.db2.gz MWLJABZABIDJST-UHFFFAOYSA-N 0 3 273.380 2.602 20 30 CFEDHN N#Cc1ccccc1N1CCN(CC2CCCC2)CC1 ZINC000101728661 136392841 /nfs/dbraw/zinc/39/28/41/136392841.db2.gz VKWYCGPHHYNRKK-UHFFFAOYSA-N 0 3 269.392 2.870 20 30 CFEDHN CCc1nc(C)c([C@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000346417262 529729557 /nfs/dbraw/zinc/72/95/57/529729557.db2.gz UJXLIITXCNCJLK-SCZZXKLOSA-N 0 3 265.382 2.693 20 30 CFEDHN CN1CC[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329989252 529792504 /nfs/dbraw/zinc/79/25/04/529792504.db2.gz HUWKXZJDEVUKES-NSHDSACASA-N 0 3 277.368 2.589 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@@H]1CCCCN1C1CC1 ZINC000596211947 349828650 /nfs/dbraw/zinc/82/86/50/349828650.db2.gz ZAZIPCGYAKHGBL-HNNXBMFYSA-N 0 3 270.380 2.691 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc(C#N)c(Cl)s1 ZINC000596230854 349834809 /nfs/dbraw/zinc/83/48/09/349834809.db2.gz COMSHYGPQCRUBR-ZJUUUORDSA-N 0 3 296.827 2.731 20 30 CFEDHN Cc1cc(NC[C@@H]2CCN2C(C)(C)C)cc(C#N)n1 ZINC000596308716 349859239 /nfs/dbraw/zinc/85/92/39/349859239.db2.gz LYRHQGOJHBXRQX-AWEZNQCLSA-N 0 3 258.369 2.546 20 30 CFEDHN CN(CC(=O)NCc1ccccc1)CC(C)(C)CCC#N ZINC000353817657 529835494 /nfs/dbraw/zinc/83/54/94/529835494.db2.gz NRMRSZAHJKBOJI-UHFFFAOYSA-N 0 3 287.407 2.565 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000596307396 349857933 /nfs/dbraw/zinc/85/79/33/349857933.db2.gz LZAZLUMRSPUBIU-CQSZACIVSA-N 0 3 284.407 2.727 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000596337449 349869278 /nfs/dbraw/zinc/86/92/78/349869278.db2.gz XXVLRWPIPGYHIO-GFCCVEGCSA-N 0 3 288.351 2.751 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000074286981 347007609 /nfs/dbraw/zinc/00/76/09/347007609.db2.gz DJVJENHRQCKIPS-JKSUJKDBSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1cccc(C#N)c1 ZINC000075504393 347080371 /nfs/dbraw/zinc/08/03/71/347080371.db2.gz IFZJNJMRWLZTGJ-CABCVRRESA-N 0 3 299.418 3.000 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(SC)oc2C)CC1 ZINC000668369288 539430351 /nfs/dbraw/zinc/43/03/51/539430351.db2.gz TZVKPRZSJMOTIC-UHFFFAOYSA-N 0 3 294.420 2.690 20 30 CFEDHN CCC(CC)(CNCc1cnc2ccc(C#N)cn12)OC ZINC000492459666 534984295 /nfs/dbraw/zinc/98/42/95/534984295.db2.gz GRFQNOHIGYDNDT-UHFFFAOYSA-N 0 3 286.379 2.501 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 ZINC000127368402 187300274 /nfs/dbraw/zinc/30/02/74/187300274.db2.gz YKPJNOULYBRILU-MRXNPFEDSA-N 0 3 298.430 2.560 20 30 CFEDHN C[C@H](C(=O)Nc1ccc(CC#N)cc1)N1CCCCCC1 ZINC000025408150 346259588 /nfs/dbraw/zinc/25/95/88/346259588.db2.gz AJCGSQFMDCAQRB-CQSZACIVSA-N 0 3 285.391 2.956 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000668493519 539535248 /nfs/dbraw/zinc/53/52/48/539535248.db2.gz OPYGJWVWIOZIDK-OAHLLOKOSA-N 0 3 286.423 2.865 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 ZINC000668493969 539535386 /nfs/dbraw/zinc/53/53/86/539535386.db2.gz SSGNVRRWJWEYDI-NSHDSACASA-N 0 3 264.394 2.635 20 30 CFEDHN CC(C)N(C)C(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000030272214 346287644 /nfs/dbraw/zinc/28/76/44/346287644.db2.gz UFJBHTHDISMCDU-UHFFFAOYSA-N 0 3 299.418 2.637 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)cc2)nc(C)n1 ZINC000041574354 346353442 /nfs/dbraw/zinc/35/34/42/346353442.db2.gz IJWFKTSVUNZVIL-ZDUSSCGKSA-N 0 3 269.279 2.723 20 30 CFEDHN C#Cc1cccc(NC(=O)NCCN2CCC(C)CC2)c1 ZINC000043981678 346388519 /nfs/dbraw/zinc/38/85/19/346388519.db2.gz VNFUBKNVCGYRBD-UHFFFAOYSA-N 0 3 285.391 2.521 20 30 CFEDHN CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000050509364 346495976 /nfs/dbraw/zinc/49/59/76/346495976.db2.gz XGTQXEFBRNQIDB-ROUUACIJSA-N 0 3 299.418 2.782 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1 ZINC000596675774 349972753 /nfs/dbraw/zinc/97/27/53/349972753.db2.gz ZNWVHLIWUYVARX-CJNGLKHVSA-N 0 3 287.407 2.518 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000053065371 346537328 /nfs/dbraw/zinc/53/73/28/346537328.db2.gz DBWLKGNSKJQHDX-HOTGVXAUSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCC(C)CC1 ZINC000053099167 346537950 /nfs/dbraw/zinc/53/79/50/346537950.db2.gz MPOUMAYXDQWFBW-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN CN(C)CCN(C(=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000053152252 346539616 /nfs/dbraw/zinc/53/96/16/346539616.db2.gz YTDNTOSFMPMTRQ-UHFFFAOYSA-N 0 3 285.391 2.505 20 30 CFEDHN CCOc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000054808823 346577352 /nfs/dbraw/zinc/57/73/52/346577352.db2.gz GXUOCJRFPKKIME-HNNXBMFYSA-N 0 3 295.342 2.982 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(C)CCCC2)CC1 ZINC000066704198 346774424 /nfs/dbraw/zinc/77/44/24/346774424.db2.gz NYWTYXBORINYMF-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C[C@H]1CCCCN1CCNc1ccc(Cl)c(C#N)n1 ZINC000067367945 346799410 /nfs/dbraw/zinc/79/94/10/346799410.db2.gz ZZOKUQKVEMBXHS-NSHDSACASA-N 0 3 278.787 2.893 20 30 CFEDHN C=CCCCN(C)CC(=O)NC1CCCCCC1 ZINC000076734764 347150298 /nfs/dbraw/zinc/15/02/98/347150298.db2.gz CUJLORJKKQNMDJ-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN C[C@H]1CCCCN1CCNc1cccc(F)c1C#N ZINC000076776148 347152765 /nfs/dbraw/zinc/15/27/65/347152765.db2.gz XSCMHISBXGUFDK-LBPRGKRZSA-N 0 3 261.344 2.984 20 30 CFEDHN COCC#CCN1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000677133253 539555204 /nfs/dbraw/zinc/55/52/04/539555204.db2.gz PBNTXFAMJSMQBV-DZGCQCFKSA-N 0 3 261.340 2.653 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121473 347290329 /nfs/dbraw/zinc/29/03/29/347290329.db2.gz SBWRLDKBEAHKCF-INIZCTEOSA-N 0 3 287.407 2.673 20 30 CFEDHN CN(C)CCN(C(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000079704860 347321499 /nfs/dbraw/zinc/32/14/99/347321499.db2.gz VFOMHSVDSKLHNF-UHFFFAOYSA-N 0 3 299.418 2.895 20 30 CFEDHN CCN1CCC(N(C(=O)C#Cc2ccccc2)C2CC2)CC1 ZINC000081588153 347428386 /nfs/dbraw/zinc/42/83/86/347428386.db2.gz GGRHRGKGRLMDFI-UHFFFAOYSA-N 0 3 296.414 2.513 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(Cc2ccccn2)CC1 ZINC000091507272 347591524 /nfs/dbraw/zinc/59/15/24/347591524.db2.gz IFHUFSJDOMVGKX-MRXNPFEDSA-N 0 3 273.424 2.944 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(CCOC(C)C)CC1 ZINC000091588474 347593060 /nfs/dbraw/zinc/59/30/60/347593060.db2.gz BFIADTPIJLBBNF-INIZCTEOSA-N 0 3 268.445 2.774 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](C)c2ccc(F)cn2)CC1 ZINC000092746999 347644187 /nfs/dbraw/zinc/64/41/87/347644187.db2.gz VLVPMEYJUVHRSR-CYBMUJFWSA-N 0 3 277.387 2.912 20 30 CFEDHN CN(C[C@@H]1CCCN(C)C1)c1ccc2cc(C#N)ccc2n1 ZINC000092898218 347650714 /nfs/dbraw/zinc/65/07/14/347650714.db2.gz SHZCWQUSVWOEJV-OAHLLOKOSA-N 0 3 294.402 2.884 20 30 CFEDHN C[C@@H]1CC[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000093498502 347677479 /nfs/dbraw/zinc/67/74/79/347677479.db2.gz JDXKDAGYRWCFPW-QWHCGFSZSA-N 0 3 268.364 2.826 20 30 CFEDHN C=CC1CCN(Cc2cnc(N(C)C)s2)CC1 ZINC000093359263 347671204 /nfs/dbraw/zinc/67/12/04/347671204.db2.gz CQVKFUBWGTUDOQ-UHFFFAOYSA-N 0 3 251.399 2.607 20 30 CFEDHN COC1CCC(N(C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093414949 347672973 /nfs/dbraw/zinc/67/29/73/347672973.db2.gz ZXNZATQQGQERPO-UHFFFAOYSA-N 0 3 298.390 2.595 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000121546594 347811870 /nfs/dbraw/zinc/81/18/70/347811870.db2.gz ITGWJLSIQOKUHL-MRXNPFEDSA-N 0 3 271.360 2.697 20 30 CFEDHN CCO[C@H]1C[C@H](NCC(C)(C)C#N)C12CCCC2 ZINC000122258812 347815616 /nfs/dbraw/zinc/81/56/16/347815616.db2.gz DUULAWXQEKOXDE-STQMWFEESA-N 0 3 250.386 2.864 20 30 CFEDHN CCN(Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000153670287 347974672 /nfs/dbraw/zinc/97/46/72/347974672.db2.gz CWQQLTBOBNRVJN-UHFFFAOYSA-N 0 3 268.364 2.970 20 30 CFEDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000165434952 348039028 /nfs/dbraw/zinc/03/90/28/348039028.db2.gz NSBDCAJQECZPSD-MRXNPFEDSA-N 0 3 286.375 2.642 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165473965 348040350 /nfs/dbraw/zinc/04/03/50/348040350.db2.gz LYYXDLRTBLGEEB-HNNXBMFYSA-N 0 3 271.408 2.783 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)C1CCCCC1 ZINC000172175572 348088139 /nfs/dbraw/zinc/08/81/39/348088139.db2.gz QOOYKISRUIIUFR-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CC)CC2)CC1 ZINC000172336145 348090828 /nfs/dbraw/zinc/09/08/28/348090828.db2.gz JTCIRWJWZBZNJO-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)C1(C#N)CCCCC1 ZINC000186310302 348129992 /nfs/dbraw/zinc/12/99/92/348129992.db2.gz NFMKYAHKLNIFMT-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN C=CCSCCNCc1ccc(OC)cc1F ZINC000231941831 348209516 /nfs/dbraw/zinc/20/95/16/348209516.db2.gz RJGRRUFGHDGNNB-UHFFFAOYSA-N 0 3 255.358 2.843 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CC2CCCC2)cc1 ZINC000232129222 348210871 /nfs/dbraw/zinc/21/08/71/348210871.db2.gz NSTJBQVOJNYJJO-MRXNPFEDSA-N 0 3 258.365 2.589 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(C#N)cc2C)CC[C@H]1C ZINC000251846120 348293724 /nfs/dbraw/zinc/29/37/24/348293724.db2.gz NDZSZKZOOFSXDY-WBMJQRKESA-N 0 3 258.365 2.724 20 30 CFEDHN CC[C@H](C(=O)N(CCC#N)Cc1ccco1)N(CC)CC ZINC000274178868 348334760 /nfs/dbraw/zinc/33/47/60/348334760.db2.gz OPCIXUHERXRCGX-OAHLLOKOSA-N 0 3 291.395 2.642 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000285537437 348345659 /nfs/dbraw/zinc/34/56/59/348345659.db2.gz FSSKCYSEECTCJI-RDJZCZTQSA-N 0 3 299.418 2.832 20 30 CFEDHN CCN1CCCN(c2nc(C)c(C#N)cc2Cl)[C@@H](C)C1 ZINC000320887956 348437664 /nfs/dbraw/zinc/43/76/64/348437664.db2.gz PKROQFUIVMCGTR-NSHDSACASA-N 0 3 292.814 2.836 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320802947 348437736 /nfs/dbraw/zinc/43/77/36/348437736.db2.gz VZPARPUFMGFXJQ-AAEUAGOBSA-N 0 3 264.325 2.573 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC3(CCC3)C[C@H]2C)CC1 ZINC000336418280 348451238 /nfs/dbraw/zinc/45/12/38/348451238.db2.gz WLCZYOYWYPQHAG-CQSZACIVSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000339998649 348454880 /nfs/dbraw/zinc/45/48/80/348454880.db2.gz IQDUZJCOSPMMFK-ZBCRRDGASA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCCC1(C(=O)N(C)C[C@@H]2CCCN2CC)CC1 ZINC000356327588 348503431 /nfs/dbraw/zinc/50/34/31/348503431.db2.gz WVWXTDWMBXAXIM-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(c2nc(C)cs2)CC1 ZINC000365041943 348510921 /nfs/dbraw/zinc/51/09/21/348510921.db2.gz JKUZLAHMOAVUOZ-GFCCVEGCSA-N 0 3 278.425 2.702 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN(CCCF)CC1 ZINC000402181702 348581062 /nfs/dbraw/zinc/58/10/62/348581062.db2.gz DONCZMUPXJBIJQ-UHFFFAOYSA-N 0 3 269.408 2.684 20 30 CFEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@@H]1CCCOC1 ZINC000402850668 348583440 /nfs/dbraw/zinc/58/34/40/348583440.db2.gz SJYJSUYSVJNSBA-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000404062534 348589352 /nfs/dbraw/zinc/58/93/52/348589352.db2.gz DQQCIUYIDFJSGH-LLVKDONJSA-N 0 3 292.354 2.765 20 30 CFEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@H]1CCCOC1 ZINC000404096874 348589473 /nfs/dbraw/zinc/58/94/73/348589473.db2.gz WIXUKUDAIOXNGI-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN N#CCC1CCN(CCOCc2ccccc2)CC1 ZINC000397222240 348561723 /nfs/dbraw/zinc/56/17/23/348561723.db2.gz KTYJAAZAABXNLM-UHFFFAOYSA-N 0 3 258.365 2.829 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](CC#N)C1 ZINC000397752917 348564012 /nfs/dbraw/zinc/56/40/12/348564012.db2.gz PTTGIASDVWYREM-AWEZNQCLSA-N 0 3 253.349 2.992 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398141739 348566757 /nfs/dbraw/zinc/56/67/57/348566757.db2.gz AORFWMJAOOMBAV-UAGQMJEPSA-N 0 3 299.418 2.563 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000273460793 192161467 /nfs/dbraw/zinc/16/14/67/192161467.db2.gz HQZFDKRPMGHHRD-INIZCTEOSA-N 0 3 297.402 2.581 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCc2ccccc2CC1 ZINC000533437627 348650628 /nfs/dbraw/zinc/65/06/28/348650628.db2.gz KYGPTUFXOSYYRT-MRXNPFEDSA-N 0 3 298.430 2.676 20 30 CFEDHN Cc1csc(CCCCNC[C@H](C#N)CCC#N)n1 ZINC000580064146 348672679 /nfs/dbraw/zinc/67/26/79/348672679.db2.gz NCRNWXDXJFJWIK-ZDUSSCGKSA-N 0 3 276.409 2.807 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000583571930 348676240 /nfs/dbraw/zinc/67/62/40/348676240.db2.gz FXWTUEGAPXSARD-CWRNSKLLSA-N 0 3 272.392 2.542 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)CCCCCC#N ZINC000588351861 348785270 /nfs/dbraw/zinc/78/52/70/348785270.db2.gz FYTIBAREGDUXRZ-GJZGRUSLSA-N 0 3 279.428 2.840 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000585755173 348743815 /nfs/dbraw/zinc/74/38/15/348743815.db2.gz NXVNBNQQZXVLPA-ZOBUZTSGSA-N 0 3 287.403 2.798 20 30 CFEDHN C=C(C)CN1CCC(Nc2snc(C)c2C#N)CC1 ZINC000587971433 348763249 /nfs/dbraw/zinc/76/32/49/348763249.db2.gz OKSOAAXFPNFMLS-UHFFFAOYSA-N 0 3 276.409 2.776 20 30 CFEDHN C=CCC[C@H](C)NCc1ccc(C(=O)OCC)o1 ZINC000589198154 348818655 /nfs/dbraw/zinc/81/86/55/348818655.db2.gz WBZFEOOMVQKVGQ-NSHDSACASA-N 0 3 251.326 2.901 20 30 CFEDHN Cc1cnn([C@@H]2CCN(Cc3ccc(C#N)cc3C)C2)c1 ZINC000589309474 348826252 /nfs/dbraw/zinc/82/62/52/348826252.db2.gz HJHHBSZIRCXEOZ-QGZVFWFLSA-N 0 3 280.375 2.819 20 30 CFEDHN CN1CCC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589310578 348826378 /nfs/dbraw/zinc/82/63/78/348826378.db2.gz XCYNVGZXISIKRE-CYBMUJFWSA-N 0 3 297.324 2.761 20 30 CFEDHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000589344262 348828404 /nfs/dbraw/zinc/82/84/04/348828404.db2.gz ZVDGXPXAAWJPEE-SJORKVTESA-N 0 3 292.386 2.946 20 30 CFEDHN CN(C)CCN(Cc1ccsc1)c1cccc(C#N)n1 ZINC000413456165 233076108 /nfs/dbraw/zinc/07/61/08/233076108.db2.gz OQUOEAADFZSHOO-UHFFFAOYSA-N 0 3 286.404 2.583 20 30 CFEDHN C=CCc1cc(CN2CC[C@@H]3C[C@@H]3C2)cc(OC)c1O ZINC000668675536 539684568 /nfs/dbraw/zinc/68/45/68/539684568.db2.gz DZDIJSKNRNGJCC-UKRRQHHQSA-N 0 3 273.376 2.971 20 30 CFEDHN Cn1ccc(CN[C@@H](CCCC#N)c2ccccc2)cc1=O ZINC000590123286 348876658 /nfs/dbraw/zinc/87/66/58/348876658.db2.gz UCDRCXXWCVWDCJ-KRWDZBQOSA-N 0 3 295.386 2.910 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590170247 348881763 /nfs/dbraw/zinc/88/17/63/348881763.db2.gz PLOFVONPMPTLCH-BFHYXJOUSA-N 0 3 278.396 2.590 20 30 CFEDHN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(C#N)cc1F ZINC000590746094 348940800 /nfs/dbraw/zinc/94/08/00/348940800.db2.gz XNOYPBIVLMXNLK-OZWUEAAUSA-N 0 3 262.328 2.914 20 30 CFEDHN Cc1ccc(CN(C)CCCC2(C#N)CCOCC2)nc1 ZINC000590754892 348942568 /nfs/dbraw/zinc/94/25/68/348942568.db2.gz XWZDJMFSURVMHE-UHFFFAOYSA-N 0 3 287.407 2.922 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757617 348943692 /nfs/dbraw/zinc/94/36/92/348943692.db2.gz NTWHPJIRESJZTP-GOEBONIOSA-N 0 3 290.363 2.711 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@H](C)O1 ZINC000590653563 348922179 /nfs/dbraw/zinc/92/21/79/348922179.db2.gz NMPYRHNADCYKPB-ISTVAULSSA-N 0 3 264.756 2.867 20 30 CFEDHN C=CCOc1ccc(CNC2([C@H](C)O)CC2)cc1Cl ZINC000668697348 539701368 /nfs/dbraw/zinc/70/13/68/539701368.db2.gz DLVDTVVYKWBBSR-NSHDSACASA-N 0 3 281.783 2.908 20 30 CFEDHN COC(=O)C(C)(C)[C@H]1CCCN([C@H](C)CCC#N)C1 ZINC000591022858 348979434 /nfs/dbraw/zinc/97/94/34/348979434.db2.gz LNGZOFFSNBJVJQ-OLZOCXBDSA-N 0 3 266.385 2.590 20 30 CFEDHN CN1CC=C(CNc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000591154531 348994136 /nfs/dbraw/zinc/99/41/36/348994136.db2.gz NWIFLJYDYKNQDQ-UHFFFAOYSA-N 0 3 296.296 2.646 20 30 CFEDHN C[C@@]1(C#N)CCCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000590956120 348970978 /nfs/dbraw/zinc/97/09/78/348970978.db2.gz XMCSAAXVGWARNL-ROUUACIJSA-N 0 3 283.419 2.887 20 30 CFEDHN CC(C)C[C@@H](C#N)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000591317416 349008531 /nfs/dbraw/zinc/00/85/31/349008531.db2.gz IROSCDQAKDCVLC-JKSUJKDBSA-N 0 3 287.407 2.734 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000668704145 539704990 /nfs/dbraw/zinc/70/49/90/539704990.db2.gz CAFHBUVAUYUMDW-HZPDHXFCSA-N 0 3 273.376 2.720 20 30 CFEDHN CC1(C)CN(Cc2ccncc2C#N)[C@H]2CCC[C@H]21 ZINC000592123148 349087310 /nfs/dbraw/zinc/08/73/10/349087310.db2.gz XRCBCAJJVMRJSF-CABCVRRESA-N 0 3 255.365 2.964 20 30 CFEDHN Cc1cccc(C2(NCC(=O)NC3(C#N)CCC3)CCC2)c1 ZINC000592145824 349090007 /nfs/dbraw/zinc/09/00/07/349090007.db2.gz CRZWWBRKYMNABL-UHFFFAOYSA-N 0 3 297.402 2.526 20 30 CFEDHN Cc1ccc(CN(CCOCCC#N)CC2CC2)cn1 ZINC000592145855 349090184 /nfs/dbraw/zinc/09/01/84/349090184.db2.gz FTZPGNCRXZWCIC-UHFFFAOYSA-N 0 3 273.380 2.532 20 30 CFEDHN N#CC[C@]1(O)CCN(CCc2ccc3ccccc3c2)C1 ZINC000592151521 349091439 /nfs/dbraw/zinc/09/14/39/349091439.db2.gz PKIHHPVKQFTUDH-SFHVURJKSA-N 0 3 280.371 2.733 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCN2CC[C@](O)(CC#N)C2)C1 ZINC000592151381 349091753 /nfs/dbraw/zinc/09/17/53/349091753.db2.gz NXUZSMBNFXEILY-QLFBSQMISA-N 0 3 250.386 2.553 20 30 CFEDHN N#CCCCCN[C@@H](CCO)c1ccccc1F ZINC000592160378 349093352 /nfs/dbraw/zinc/09/33/52/349093352.db2.gz JRDGSOZJPSLUNH-AWEZNQCLSA-N 0 3 250.317 2.533 20 30 CFEDHN N#CCCCN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592175270 349094954 /nfs/dbraw/zinc/09/49/54/349094954.db2.gz IMAQJBYCYREKGG-INIZCTEOSA-N 0 3 270.376 2.950 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C)[C@@H]1SC ZINC000592172314 349094995 /nfs/dbraw/zinc/09/49/95/349094995.db2.gz DDGYVVCYVXLXBR-OAGGEKHMSA-N 0 3 290.432 2.865 20 30 CFEDHN CC(C)c1ccc(CCN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592522251 349131994 /nfs/dbraw/zinc/13/19/94/349131994.db2.gz JXHGGPCQXAZVAF-KRWDZBQOSA-N 0 3 272.392 2.703 20 30 CFEDHN CCCC[C@@H](CC)CCN1CC[C@](O)(CC#N)C1 ZINC000592522154 349132283 /nfs/dbraw/zinc/13/22/83/349132283.db2.gz IICFMMOKYVYLHP-HUUCEWRRSA-N 0 3 252.402 2.943 20 30 CFEDHN CCN(CCSC)C(=O)C(C#N)CCc1ccccc1 ZINC000592917869 349176685 /nfs/dbraw/zinc/17/66/85/349176685.db2.gz MJLBBNRGFUGOHK-OAHLLOKOSA-N 0 3 290.432 2.970 20 30 CFEDHN CN1CCC[C@@H]1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000593013204 349187040 /nfs/dbraw/zinc/18/70/40/349187040.db2.gz IPGVUVIPRQCIJV-KZNAEPCWSA-N 0 3 283.419 2.852 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000593012550 349187181 /nfs/dbraw/zinc/18/71/81/349187181.db2.gz YPJNMVGZVOKIFX-AWEZNQCLSA-N 0 3 271.320 2.841 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000593016846 349187818 /nfs/dbraw/zinc/18/78/18/349187818.db2.gz XCTDMBSZUCIICL-QWRGUYRKSA-N 0 3 259.309 2.697 20 30 CFEDHN CC[C@H]1CN(CCCSCC#N)[C@@H](CC)CO1 ZINC000593059733 349196966 /nfs/dbraw/zinc/19/69/66/349196966.db2.gz SNSYFVGRQYEFOI-STQMWFEESA-N 0 3 256.415 2.523 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC([C@@H](C)CO)CC1 ZINC000593084049 349204617 /nfs/dbraw/zinc/20/46/17/349204617.db2.gz PHENQEWAZCWMRU-AWEZNQCLSA-N 0 3 272.392 2.707 20 30 CFEDHN CC(C)(C#N)CNC1CCC2(CC1)c1ccccc1NC2=O ZINC000593615187 349298955 /nfs/dbraw/zinc/29/89/55/349298955.db2.gz NETNADJMPXWKIB-UHFFFAOYSA-N 0 3 297.402 2.958 20 30 CFEDHN C=CCC[C@@H](N[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000089633824 179834730 /nfs/dbraw/zinc/83/47/30/179834730.db2.gz GBRCATKYHNRQCY-DZGCQCFKSA-N 0 3 281.421 2.717 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000593436797 349269682 /nfs/dbraw/zinc/26/96/82/349269682.db2.gz JYRCDHSCNBQAQF-DOTOQJQBSA-N 0 3 299.418 2.798 20 30 CFEDHN CC[C@H](C#N)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000593475370 349277763 /nfs/dbraw/zinc/27/77/63/349277763.db2.gz QIZQNGKWQZPKIP-HUUCEWRRSA-N 0 3 299.418 2.878 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000593507155 349286558 /nfs/dbraw/zinc/28/65/58/349286558.db2.gz DDVPTBNLBHVZKO-INIZCTEOSA-N 0 3 299.418 2.659 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000593814466 349329486 /nfs/dbraw/zinc/32/94/86/349329486.db2.gz SNIKJLVAQYUBNS-WDEREUQCSA-N 0 3 276.767 2.988 20 30 CFEDHN C=CCC[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031541 349357670 /nfs/dbraw/zinc/35/76/70/349357670.db2.gz HYKVFZDHSGVIDA-INIZCTEOSA-N 0 3 270.376 2.854 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NCc1cccc2ccsc21 ZINC000593912697 349334940 /nfs/dbraw/zinc/33/49/40/349334940.db2.gz PWSZTZYWBPFUID-CYBMUJFWSA-N 0 3 287.388 2.539 20 30 CFEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000593954027 349339284 /nfs/dbraw/zinc/33/92/84/349339284.db2.gz MHBYYSDGMIITBG-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN Cc1occc1CNCCOc1ccc(C#N)cc1 ZINC000414355490 233235369 /nfs/dbraw/zinc/23/53/69/233235369.db2.gz BZROFBHTTKJYMA-UHFFFAOYSA-N 0 3 256.305 2.628 20 30 CFEDHN CN(C(=O)CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593995573 349348404 /nfs/dbraw/zinc/34/84/04/349348404.db2.gz XQKVBLUKFSIZMP-QGZVFWFLSA-N 0 3 299.418 2.803 20 30 CFEDHN N#CC1(CNC2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000593653539 349304881 /nfs/dbraw/zinc/30/48/81/349304881.db2.gz PPXFTGPZTNKICH-UHFFFAOYSA-N 0 3 298.434 2.720 20 30 CFEDHN COC(=O)C[C@@H]1CC[C@H](NCC2(C#N)CCCC2)[C@H]1C ZINC000593654806 349306187 /nfs/dbraw/zinc/30/61/87/349306187.db2.gz PTAFRODXYHSEPQ-IHRRRGAJSA-N 0 3 278.396 2.638 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NCC2(C#N)CCCC2)c1 ZINC000593779533 349324979 /nfs/dbraw/zinc/32/49/79/349324979.db2.gz LZILIQXTEKPKGQ-UHFFFAOYSA-N 0 3 285.391 2.562 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)CCCCC#N)N(C)C)cc1 ZINC000594257377 349401569 /nfs/dbraw/zinc/40/15/69/349401569.db2.gz WWZSLXWQXGRNQK-INIZCTEOSA-N 0 3 287.407 2.798 20 30 CFEDHN CC(C)OC(=O)C[C@@H](NCC#Cc1ccccc1)C(C)C ZINC000594042866 349361443 /nfs/dbraw/zinc/36/14/43/349361443.db2.gz HQTGLLYTAAFGQR-QGZVFWFLSA-N 0 3 287.403 2.994 20 30 CFEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594059396 349366917 /nfs/dbraw/zinc/36/69/17/349366917.db2.gz QZIOETNGPKWKMJ-CVEARBPZSA-N 0 3 298.390 2.697 20 30 CFEDHN C[C@H](CC1CCCCC1)NC(=O)[C@H](N)CCCCC#N ZINC000594439022 349422515 /nfs/dbraw/zinc/42/25/15/349422515.db2.gz ZCHPHIXCSKOXNZ-UKRRQHHQSA-N 0 3 279.428 2.873 20 30 CFEDHN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H](N)CCCCC#N ZINC000594442973 349423546 /nfs/dbraw/zinc/42/35/46/349423546.db2.gz DUNGFVUQIZZUSE-PVAVHDDUSA-N 0 3 299.418 2.802 20 30 CFEDHN CC1(C)CCC(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594443150 349423603 /nfs/dbraw/zinc/42/36/03/349423603.db2.gz MDWYMLVJHDIPEK-AWEZNQCLSA-N 0 3 279.428 2.730 20 30 CFEDHN CCC[C@]1(C)CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594445086 349424523 /nfs/dbraw/zinc/42/45/23/349424523.db2.gz OYTWCMDQONONSV-GDBMZVCRSA-N 0 3 279.428 2.826 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000594457289 349426367 /nfs/dbraw/zinc/42/63/67/349426367.db2.gz YWDYSHIRERGQLA-CABCVRRESA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)N1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000594501096 349432378 /nfs/dbraw/zinc/43/23/78/349432378.db2.gz HRIFZBJQVCTZKG-INIZCTEOSA-N 0 3 299.418 2.587 20 30 CFEDHN Cc1nccn1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594502866 349433076 /nfs/dbraw/zinc/43/30/76/349433076.db2.gz RSHXZKAFEAKQQZ-UHFFFAOYSA-N 0 3 282.391 2.783 20 30 CFEDHN N#CC1(c2ccc(CN3CCSCC3)cc2)CC1 ZINC000596983211 350011641 /nfs/dbraw/zinc/01/16/41/350011641.db2.gz QUASUYQJPMSVHC-UHFFFAOYSA-N 0 3 258.390 2.791 20 30 CFEDHN CN1CCN(Cc2ccc(C3(C#N)CC3)cc2)C(C)(C)C1 ZINC000597010822 350016431 /nfs/dbraw/zinc/01/64/31/350016431.db2.gz WSIMPMYTIKJIFJ-UHFFFAOYSA-N 0 3 283.419 2.768 20 30 CFEDHN COC(=O)[C@]1(C)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018067 350016907 /nfs/dbraw/zinc/01/69/07/350016907.db2.gz AESAHOWDLNHLMC-QGZVFWFLSA-N 0 3 298.386 2.627 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1Cl ZINC000597120625 350032585 /nfs/dbraw/zinc/03/25/85/350032585.db2.gz IBMUONAJGLBWLY-UKRRQHHQSA-N 0 3 276.767 2.869 20 30 CFEDHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000597044016 350020682 /nfs/dbraw/zinc/02/06/82/350020682.db2.gz SILBMKPIRONODF-UVBJJODRSA-N 0 3 256.349 2.776 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)CCCCC#N)CCN1Cc1ccccc1 ZINC000594361237 349410944 /nfs/dbraw/zinc/41/09/44/349410944.db2.gz PCFSEDXXPLMSMF-WBVHZDCISA-N 0 3 299.418 2.850 20 30 CFEDHN CN(C)C[C@@H](NC(=O)CCCCC#N)c1ccc(F)cc1 ZINC000594361271 349411067 /nfs/dbraw/zinc/41/10/67/349411067.db2.gz QGIWWXCTSJNNOQ-OAHLLOKOSA-N 0 3 291.370 2.629 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(CC2(F)F)C1 ZINC000594389881 349413544 /nfs/dbraw/zinc/41/35/44/349413544.db2.gz VYCSSEFIZIGPTM-CYBMUJFWSA-N 0 3 290.313 2.627 20 30 CFEDHN C[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1[C@H](C)CC[C@@H]1C ZINC000594406853 349415191 /nfs/dbraw/zinc/41/51/91/349415191.db2.gz NQSUQINFDJSUQJ-MJBXVCDLSA-N 0 3 297.402 2.662 20 30 CFEDHN C[C@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594424687 349417062 /nfs/dbraw/zinc/41/70/62/349417062.db2.gz IFIGTYFMXCAAAU-ZBFHGGJFSA-N 0 3 287.407 2.535 20 30 CFEDHN CC(C)N(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426336 349417530 /nfs/dbraw/zinc/41/75/30/349417530.db2.gz OJCHTVHATXHIKC-INIZCTEOSA-N 0 3 287.407 2.835 20 30 CFEDHN CCc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426196 349417745 /nfs/dbraw/zinc/41/77/45/349417745.db2.gz PWBWHWSMUMCRBB-ZDUSSCGKSA-N 0 3 259.353 2.599 20 30 CFEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594425970 349417993 /nfs/dbraw/zinc/41/79/93/349417993.db2.gz NNMCFXBEMKAEKW-HZPDHXFCSA-N 0 3 287.407 2.911 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2scnc2c1 ZINC000594428456 349418663 /nfs/dbraw/zinc/41/86/63/349418663.db2.gz MEQWGYNUVRXRFJ-LLVKDONJSA-N 0 3 288.376 2.646 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000594428303 349418910 /nfs/dbraw/zinc/41/89/10/349418910.db2.gz MJMRPZARGYRKSV-JKSUJKDBSA-N 0 3 285.391 2.665 20 30 CFEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1F ZINC000594429092 349419549 /nfs/dbraw/zinc/41/95/49/349419549.db2.gz QQVDFGDAMAOIQF-ZDUSSCGKSA-N 0 3 293.342 2.574 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000594429584 349420024 /nfs/dbraw/zinc/42/00/24/349420024.db2.gz RQPBGXHRVRUYHT-MRXNPFEDSA-N 0 3 285.391 2.589 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000594429051 349420174 /nfs/dbraw/zinc/42/01/74/349420174.db2.gz QBQWWEXNHBKZAN-KGLIPLIRSA-N 0 3 291.420 2.823 20 30 CFEDHN CSCc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594435043 349421588 /nfs/dbraw/zinc/42/15/88/349421588.db2.gz ZOXXWYPUTFFMIN-CQSZACIVSA-N 0 3 291.420 2.899 20 30 CFEDHN CC(C)c1cnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594433760 349421881 /nfs/dbraw/zinc/42/18/81/349421881.db2.gz SFSGVCAHTBHMCO-SNVBAGLBSA-N 0 3 280.397 2.616 20 30 CFEDHN N#Cc1ccc(CCNCc2ccc3c(n2)CCC3)cc1 ZINC000597176033 350044592 /nfs/dbraw/zinc/04/45/92/350044592.db2.gz CXDXELUSAYJJHL-UHFFFAOYSA-N 0 3 277.371 2.774 20 30 CFEDHN C=CCCSCCNCc1cc(C(=O)OC)c(C)o1 ZINC000597184607 350046985 /nfs/dbraw/zinc/04/69/85/350046985.db2.gz LURJRCWMNFRESF-UHFFFAOYSA-N 0 3 283.393 2.774 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000597186090 350048219 /nfs/dbraw/zinc/04/82/19/350048219.db2.gz BHMCZKKPGDDSPR-LBPRGKRZSA-N 0 3 262.353 2.589 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000597539442 350109919 /nfs/dbraw/zinc/10/99/19/350109919.db2.gz SGQUNNFXVJVVKN-CRAIPNDOSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000597334005 350084737 /nfs/dbraw/zinc/08/47/37/350084737.db2.gz QMKOBYLISHKZSL-JKSUJKDBSA-N 0 3 299.418 2.659 20 30 CFEDHN Cc1ccccc1NC1(CNC(=O)C(C)C#N)CCCC1 ZINC000597727271 350129167 /nfs/dbraw/zinc/12/91/67/350129167.db2.gz HDWPCGWXOZHLEB-AWEZNQCLSA-N 0 3 285.391 2.996 20 30 CFEDHN C[C@@H](CC#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000597628765 350119247 /nfs/dbraw/zinc/11/92/47/350119247.db2.gz HMBAVSNNFMTYKV-SMDDNHRTSA-N 0 3 293.798 2.609 20 30 CFEDHN C[C@@H](CC#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000597628763 350119507 /nfs/dbraw/zinc/11/95/07/350119507.db2.gz HMBAVSNNFMTYKV-FZMZJTMJSA-N 0 3 293.798 2.609 20 30 CFEDHN CCCN1CC[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000598344091 350241054 /nfs/dbraw/zinc/24/10/54/350241054.db2.gz ZUCVKBMBZQPONW-DLBZAZTESA-N 0 3 299.418 2.674 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCCC1 ZINC000598377719 350252151 /nfs/dbraw/zinc/25/21/51/350252151.db2.gz ZZAYUKROCOPAFL-MRXNPFEDSA-N 0 3 268.360 2.985 20 30 CFEDHN C[C@@]1(C#N)CCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000598409655 350260481 /nfs/dbraw/zinc/26/04/81/350260481.db2.gz IKTCMYOZCMFWJL-SFHVURJKSA-N 0 3 297.402 2.658 20 30 CFEDHN COCC#CCN1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000677817732 539790717 /nfs/dbraw/zinc/79/07/17/539790717.db2.gz QJLOEOIXLHHYSH-QGZVFWFLSA-N 0 3 287.403 2.600 20 30 CFEDHN C[C@]1(C#N)CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000598411120 350261574 /nfs/dbraw/zinc/26/15/74/350261574.db2.gz IPUHAXYINYYBCS-GOSISDBHSA-N 0 3 297.402 2.658 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000598624295 350296637 /nfs/dbraw/zinc/29/66/37/350296637.db2.gz ZUQJWYKDQXONFE-MRXNPFEDSA-N 0 3 297.402 2.828 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651823 350303075 /nfs/dbraw/zinc/30/30/75/350303075.db2.gz WGBTYRKQBYVZNM-DVOMOZLQSA-N 0 3 258.365 2.570 20 30 CFEDHN COCC#CCN(C)CCCOc1cccc(Cl)c1 ZINC000677818494 539792432 /nfs/dbraw/zinc/79/24/32/539792432.db2.gz PPWWVZMNJZQWDX-UHFFFAOYSA-N 0 3 281.783 2.691 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCc2c1cccc2F ZINC000598699462 350312116 /nfs/dbraw/zinc/31/21/16/350312116.db2.gz FCKNUXZGDJUMFM-ABAIWWIYSA-N 0 3 276.355 2.703 20 30 CFEDHN CCC1(c2ccccc2)CN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598706682 350314395 /nfs/dbraw/zinc/31/43/95/350314395.db2.gz TZLHWEPMNYCRFG-MRXNPFEDSA-N 0 3 286.419 2.951 20 30 CFEDHN C=CCN(CCc1nc2ccccc2n1C)C1CC1 ZINC000271356309 191093367 /nfs/dbraw/zinc/09/33/67/191093367.db2.gz DYHOWXYXLFXDOH-UHFFFAOYSA-N 0 3 255.365 2.766 20 30 CFEDHN C[C@H]1c2ccccc2OCCN1C[C@H](O)CC(C)(C)C#N ZINC000598594835 350289123 /nfs/dbraw/zinc/28/91/23/350289123.db2.gz DTRZSZFYAPFVHZ-UONOGXRCSA-N 0 3 288.391 2.743 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598601148 350291192 /nfs/dbraw/zinc/29/11/92/350291192.db2.gz QTFRGIFPNLFAQG-CMPLNLGQSA-N 0 3 282.334 2.916 20 30 CFEDHN COc1cccc(C2(NC[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598599178 350291284 /nfs/dbraw/zinc/29/12/84/350291284.db2.gz AQFSVTOOCZXJAX-AWEZNQCLSA-N 0 3 288.391 2.575 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598598831 350291304 /nfs/dbraw/zinc/29/13/04/350291304.db2.gz DIMBPUZHAIOHLK-KGLIPLIRSA-N 0 3 290.407 2.955 20 30 CFEDHN Cc1ccc(C(C)(C)NC[C@H](O)CC(C)(C)C#N)cn1 ZINC000598605878 350292912 /nfs/dbraw/zinc/29/29/12/350292912.db2.gz WBBNKUMFFAQQKM-CQSZACIVSA-N 0 3 275.396 2.516 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000598606615 350292928 /nfs/dbraw/zinc/29/29/28/350292928.db2.gz IJOMOQMQBZRLCF-AWEZNQCLSA-N 0 3 294.439 2.711 20 30 CFEDHN Cc1cnc([C@H](NC[C@H](O)CC(C)(C)C#N)C2CC2)s1 ZINC000598613937 350293324 /nfs/dbraw/zinc/29/33/24/350293324.db2.gz ZXATWTDLGWOAFB-CHWSQXEVSA-N 0 3 293.436 2.793 20 30 CFEDHN COCC#CCN1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000677819932 539794391 /nfs/dbraw/zinc/79/43/91/539794391.db2.gz DGYOXADHTNJLQZ-WBVHZDCISA-N 0 3 257.377 2.762 20 30 CFEDHN CC[C@@H]1CCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598819487 350333991 /nfs/dbraw/zinc/33/39/91/350333991.db2.gz IQUCLOFAGNZKOD-IXDOHACOSA-N 0 3 295.386 2.935 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000599065230 350369098 /nfs/dbraw/zinc/36/90/98/350369098.db2.gz JBKDGJVCTAQWAI-UONOGXRCSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1ccc(CN2CCN(CC(C)C)CC2)cc1C#N ZINC000599250446 350399504 /nfs/dbraw/zinc/39/95/04/350399504.db2.gz NFORBMFFFFLIBD-UHFFFAOYSA-N 0 3 271.408 2.640 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599433902 350436635 /nfs/dbraw/zinc/43/66/35/350436635.db2.gz MHICUEQTFWVZDV-BBRMVZONSA-N 0 3 258.365 2.724 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599434948 350437711 /nfs/dbraw/zinc/43/77/11/350437711.db2.gz NGLMKQMMXZXCIK-HNNXBMFYSA-N 0 3 271.408 2.783 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](C(F)F)C2)cc1C#N ZINC000599338441 350417673 /nfs/dbraw/zinc/41/76/73/350417673.db2.gz RPVPECHDKCLREA-GFCCVEGCSA-N 0 3 250.292 2.954 20 30 CFEDHN CCOc1cccc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000599349694 350420463 /nfs/dbraw/zinc/42/04/63/350420463.db2.gz QHRNWEPUNSQBIS-ZFWWWQNUSA-N 0 3 288.391 2.791 20 30 CFEDHN Cc1csc([C@H](NC[C@H](O)CC2(C#N)CC2)C2CC2)n1 ZINC000599353044 350421095 /nfs/dbraw/zinc/42/10/95/350421095.db2.gz KCCUTGDGRAKIOB-CHWSQXEVSA-N 0 3 291.420 2.547 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(C)c(C#N)c2)CC[C@H]1C ZINC000599382446 350427508 /nfs/dbraw/zinc/42/75/08/350427508.db2.gz QYAZQFLLRPENPG-CZUORRHYSA-N 0 3 258.365 2.724 20 30 CFEDHN C=CCN(CCC(=O)N1CCc2sccc2C1)C1CC1 ZINC000271375431 191104846 /nfs/dbraw/zinc/10/48/46/191104846.db2.gz HQYRHHCHRQPENA-UHFFFAOYSA-N 0 3 290.432 2.673 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000599526914 350450268 /nfs/dbraw/zinc/45/02/68/350450268.db2.gz WJXCDNRWUCKEFP-ZDUSSCGKSA-N 0 3 256.349 2.965 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cccc(C(=O)OC)c2)C1 ZINC000599526916 350450704 /nfs/dbraw/zinc/45/07/04/350450704.db2.gz WJYBWICVXHLYCO-ZDUSSCGKSA-N 0 3 259.349 2.871 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553476 350455237 /nfs/dbraw/zinc/45/52/37/350455237.db2.gz WICUUSSYNRRKPA-CABCVRRESA-N 0 3 288.416 2.907 20 30 CFEDHN CC#CCCN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599590843 350460842 /nfs/dbraw/zinc/46/08/42/350460842.db2.gz RNQUVRZLUHTBQI-KBPBESRZSA-N 0 3 265.397 2.700 20 30 CFEDHN C[C@@H]1CN(CCCCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590192 350461561 /nfs/dbraw/zinc/46/15/61/350461561.db2.gz VSTFRUFQIVFPRI-KGLIPLIRSA-N 0 3 280.412 2.980 20 30 CFEDHN CCN(Cc1ccc(C)c(C#N)c1)[C@H]1CCCOC1 ZINC000599450973 350440102 /nfs/dbraw/zinc/44/01/02/350440102.db2.gz QBIYIYPKAHMMET-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C)c(C#N)c2)[C@@H]1SC ZINC000599452580 350440596 /nfs/dbraw/zinc/44/05/96/350440596.db2.gz SYQMTXMCGLJVOH-OAGGEKHMSA-N 0 3 290.432 2.865 20 30 CFEDHN CCc1ccc([C@H](CNc2cnc(C#N)cn2)N(C)C)cc1 ZINC000106462577 186118654 /nfs/dbraw/zinc/11/86/54/186118654.db2.gz SEPSCXGTENHKRZ-INIZCTEOSA-N 0 3 295.390 2.625 20 30 CFEDHN C=CC(C)(C)CCNCc1cc(C(=O)OC)co1 ZINC000600184487 350533674 /nfs/dbraw/zinc/53/36/74/350533674.db2.gz MUAGFCJUIVLTHB-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000600183688 350533761 /nfs/dbraw/zinc/53/37/61/350533761.db2.gz CSCUJPPUWRMKPP-CYBMUJFWSA-N 0 3 256.349 2.965 20 30 CFEDHN CC(C)CCO[C@H]1CC[C@H](NC(=O)C(C)C#N)CC1 ZINC000600378287 350551498 /nfs/dbraw/zinc/55/14/98/350551498.db2.gz LCSFGZOJDULKGB-IHRRRGAJSA-N 0 3 266.385 2.636 20 30 CFEDHN CC(C#N)C(=O)NC1(c2c(F)cccc2F)CCC1 ZINC000600811961 350616380 /nfs/dbraw/zinc/61/63/80/350616380.db2.gz GQRUQOXSMOHVFC-SECBINFHSA-N 0 3 264.275 2.620 20 30 CFEDHN C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC000600780222 350610008 /nfs/dbraw/zinc/61/00/08/350610008.db2.gz PKWUKBSTNAEJHK-KPZWWZAWSA-N 0 3 294.354 2.980 20 30 CFEDHN COc1ccc(-c2ccc([C@@H]3CNCCO3)cc2)cc1C#N ZINC000600787532 350611204 /nfs/dbraw/zinc/61/12/04/350611204.db2.gz AGVRWAADADOLMH-SFHVURJKSA-N 0 3 294.354 2.895 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](CCc1ccccc1)C(F)F ZINC000600793822 350613364 /nfs/dbraw/zinc/61/33/64/350613364.db2.gz PJJVAMRTXYVWKV-WCQYABFASA-N 0 3 280.318 2.871 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000600802142 350614493 /nfs/dbraw/zinc/61/44/93/350614493.db2.gz KQSCGHFJIMFUNV-TVQRCGJNSA-N 0 3 262.740 2.993 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccccc1CC#N ZINC000601123602 350674506 /nfs/dbraw/zinc/67/45/06/350674506.db2.gz GAAJOOLMCHZBQX-HUUCEWRRSA-N 0 3 299.418 2.745 20 30 CFEDHN Cc1cc(C#N)cc(N(CCN(C)C)Cc2ccccc2)n1 ZINC000601129541 350676973 /nfs/dbraw/zinc/67/69/73/350676973.db2.gz IVSDXJFJDGNWTL-UHFFFAOYSA-N 0 3 294.402 2.830 20 30 CFEDHN N#Cc1ccc(CNCc2cccc3c2CCOC3)s1 ZINC000601156388 350684583 /nfs/dbraw/zinc/68/45/83/350684583.db2.gz VYRYHAKRHOIWKU-UHFFFAOYSA-N 0 3 284.384 2.982 20 30 CFEDHN CC[C@H](N[C@H](C)[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601301259 350720202 /nfs/dbraw/zinc/72/02/02/350720202.db2.gz WMOVXHZOMYSKSI-JIMOISOXSA-N 0 3 286.297 2.911 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](NC(=O)CCCCC#N)C2)cc1 ZINC000601884425 350798028 /nfs/dbraw/zinc/79/80/28/350798028.db2.gz YEATYMPHMHQALT-QGZVFWFLSA-N 0 3 299.418 2.770 20 30 CFEDHN CCN1CCCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602008838 350829730 /nfs/dbraw/zinc/82/97/30/350829730.db2.gz VFUVZXYGESGPJB-CQSZACIVSA-N 0 3 275.371 2.661 20 30 CFEDHN COCCC1(NCc2cccc(F)c2C#N)CCC1 ZINC000602018528 350833077 /nfs/dbraw/zinc/83/30/77/350833077.db2.gz YTYNWSPKYMOPFG-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN N#Cc1c(F)cccc1CNCCC[C@@H]1CCOC1 ZINC000602022641 350833865 /nfs/dbraw/zinc/83/38/65/350833865.db2.gz DKSNGOMRWKXEME-GFCCVEGCSA-N 0 3 262.328 2.604 20 30 CFEDHN COCC1(CCNCc2cccc(F)c2C#N)CC1 ZINC000602021360 350833913 /nfs/dbraw/zinc/83/39/13/350833913.db2.gz SOKRAIZUKIOSTK-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2cccc(F)c2C#N)[C@@H](C)O1 ZINC000602020699 350834054 /nfs/dbraw/zinc/83/40/54/350834054.db2.gz RZJRGJABWGJJMO-WZRBSPASSA-N 0 3 262.328 2.600 20 30 CFEDHN CC(C#N)C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000602200989 350851424 /nfs/dbraw/zinc/85/14/24/350851424.db2.gz DBNVPKILYMBQCQ-ZETCQYMHSA-N 0 3 288.681 2.717 20 30 CFEDHN CC[C@H]1CN(C[C@H](C)CCC#N)CCN1CC(F)F ZINC000602479120 350900030 /nfs/dbraw/zinc/90/00/30/350900030.db2.gz FNICSJFRHADQLA-OLZOCXBDSA-N 0 3 273.371 2.588 20 30 CFEDHN CCSCC[C@@H](C)N(C)Cc1cccc(C#N)n1 ZINC000602480501 350900211 /nfs/dbraw/zinc/90/02/11/350900211.db2.gz CGYHEYURBNXAEE-GFCCVEGCSA-N 0 3 263.410 2.917 20 30 CFEDHN CC(C)N(CCc1nccs1)Cc1cccc(C#N)n1 ZINC000602479347 350900236 /nfs/dbraw/zinc/90/02/36/350900236.db2.gz ITSLQYHZZLVWJX-UHFFFAOYSA-N 0 3 286.404 2.863 20 30 CFEDHN CS[C@@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602482582 350901304 /nfs/dbraw/zinc/90/13/04/350901304.db2.gz DKMSYVVBMGBUIK-CQSZACIVSA-N 0 3 261.394 2.671 20 30 CFEDHN CC(=O)N1CCN(C[C@@H](C)CCC#N)CC12CCCCC2 ZINC000602481974 350901359 /nfs/dbraw/zinc/90/13/59/350901359.db2.gz CUGKQUGKEFBQRP-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602483848 350902082 /nfs/dbraw/zinc/90/20/82/350902082.db2.gz JKIZIASPZXAHMS-CVEARBPZSA-N 0 3 285.391 2.733 20 30 CFEDHN COc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602502350 350907112 /nfs/dbraw/zinc/90/71/12/350907112.db2.gz HZOOOPJCRZTNEY-CQSZACIVSA-N 0 3 288.391 2.884 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCc3ccccc3C2)n1 ZINC000602504536 350908313 /nfs/dbraw/zinc/90/83/13/350908313.db2.gz SQXNJTZLBDSOTE-OAHLLOKOSA-N 0 3 263.344 2.600 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(C#N)c1 ZINC000602507744 350908857 /nfs/dbraw/zinc/90/88/57/350908857.db2.gz HPCMHPLYBWVRPB-CQSZACIVSA-N 0 3 283.375 2.747 20 30 CFEDHN N#Cc1cccc(CNCCCOc2ccccc2)n1 ZINC000602511702 350910579 /nfs/dbraw/zinc/91/05/79/350910579.db2.gz KCUCMVFYWCDNRU-UHFFFAOYSA-N 0 3 267.332 2.512 20 30 CFEDHN Cc1cccc(OC[C@@H](C)NCc2cccc(C#N)n2)c1 ZINC000602525645 350914122 /nfs/dbraw/zinc/91/41/22/350914122.db2.gz IXLNPWUOIULMPB-CQSZACIVSA-N 0 3 281.359 2.819 20 30 CFEDHN CC[C@H](NC[C@@H](C)CCC#N)c1nnc2n1CCCCC2 ZINC000602527151 350915128 /nfs/dbraw/zinc/91/51/28/350915128.db2.gz LRDPOPSUJVCWQA-KBPBESRZSA-N 0 3 289.427 2.985 20 30 CFEDHN C[C@H](CCc1ccc(O)cc1)NCc1cccc(C#N)n1 ZINC000602538933 350917783 /nfs/dbraw/zinc/91/77/83/350917783.db2.gz FOVMZZCLGDITEA-CYBMUJFWSA-N 0 3 281.359 2.770 20 30 CFEDHN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000602545746 350919485 /nfs/dbraw/zinc/91/94/85/350919485.db2.gz OWUOSSLWDLTSHD-HZPDHXFCSA-N 0 3 299.418 2.802 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000602546767 350919997 /nfs/dbraw/zinc/91/99/97/350919997.db2.gz KVPRVQYZEVWVCI-RHSMWYFYSA-N 0 3 263.344 2.674 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCCN(c3ccccc3)C2)n1 ZINC000602548691 350920891 /nfs/dbraw/zinc/92/08/91/350920891.db2.gz VIJJJNPJDRGENF-QGZVFWFLSA-N 0 3 292.386 2.712 20 30 CFEDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC(C#N)CC1 ZINC000602552575 350922206 /nfs/dbraw/zinc/92/22/06/350922206.db2.gz SGHCOKJUVNGIEQ-UHFFFAOYSA-N 0 3 289.335 2.775 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCc3ccccc32)n1 ZINC000602557541 350923785 /nfs/dbraw/zinc/92/37/85/350923785.db2.gz PAWUIPCBFNLPPG-CQSZACIVSA-N 0 3 263.344 2.773 20 30 CFEDHN CO[C@H](C)c1nc(CNC[C@@H](C)CCC#N)cs1 ZINC000602564508 350926052 /nfs/dbraw/zinc/92/60/52/350926052.db2.gz MQBLFTYHXLWCKF-WDEREUQCSA-N 0 3 267.398 2.880 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1F ZINC000602567860 350927893 /nfs/dbraw/zinc/92/78/93/350927893.db2.gz KMHPDTSLHVPFQX-CYBMUJFWSA-N 0 3 293.342 2.574 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N(CC1CC1)c1cccc(F)c1 ZINC000602578594 350931563 /nfs/dbraw/zinc/93/15/63/350931563.db2.gz OGXQRFLVQTXHMA-HNNXBMFYSA-N 0 3 289.354 2.590 20 30 CFEDHN CCOc1ccc(C#N)cc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000602591802 350937857 /nfs/dbraw/zinc/93/78/57/350937857.db2.gz MXWBJVRTXKBLKV-JSGCOSHPSA-N 0 3 273.380 2.852 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(c2ccc(F)cc2)CC1 ZINC000602429160 350878860 /nfs/dbraw/zinc/87/88/60/350878860.db2.gz MQOOTGCJAVNRIU-AWEZNQCLSA-N 0 3 275.371 2.888 20 30 CFEDHN CC(C)C1(CN2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000602436803 350881143 /nfs/dbraw/zinc/88/11/43/350881143.db2.gz QNUJDGHSZWBFJD-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(c2ccccc2C#N)CC1 ZINC000602439111 350882348 /nfs/dbraw/zinc/88/23/48/350882348.db2.gz XZVKOYFJXXSTIK-OAHLLOKOSA-N 0 3 282.391 2.620 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C2CCCCC2)CC1 ZINC000602438584 350882671 /nfs/dbraw/zinc/88/26/71/350882671.db2.gz SDKXXNGGMUBARO-OAHLLOKOSA-N 0 3 263.429 2.877 20 30 CFEDHN CO[C@@](C)(CN(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000602439997 350883545 /nfs/dbraw/zinc/88/35/45/350883545.db2.gz SJFOCRJITZPWPL-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C[C@@H](C)CCC#N ZINC000602475802 350897607 /nfs/dbraw/zinc/89/76/07/350897607.db2.gz KSJJZPBFHIFZAE-IMJJTQAJSA-N 0 3 279.428 2.648 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(CO)cc1 ZINC000602641925 350958004 /nfs/dbraw/zinc/95/80/04/350958004.db2.gz VMPGBANCBOWTJV-SFHVURJKSA-N 0 3 278.355 2.828 20 30 CFEDHN CO[C@@H](CNCC1(CC#N)CC1)Cc1ccccc1 ZINC000602642779 350958892 /nfs/dbraw/zinc/95/88/92/350958892.db2.gz NFYQWVLSDYBPDP-OAHLLOKOSA-N 0 3 258.365 2.528 20 30 CFEDHN COCC1(CNCc2cccc(C#N)n2)CCCCC1 ZINC000602668288 350968356 /nfs/dbraw/zinc/96/83/56/350968356.db2.gz UKGOMTHVSGLWHD-UHFFFAOYSA-N 0 3 273.380 2.640 20 30 CFEDHN C[C@@H](CCC#N)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000602673713 350971555 /nfs/dbraw/zinc/97/15/55/350971555.db2.gz BRKIXNJLAGAYHG-AAEUAGOBSA-N 0 3 266.776 2.723 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000602679322 350975091 /nfs/dbraw/zinc/97/50/91/350975091.db2.gz CZKNRJZPBCPIDT-RBSFLKMASA-N 0 3 299.418 2.882 20 30 CFEDHN C[C@]12CN(Cc3cccc(C#N)n3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000602685535 350978486 /nfs/dbraw/zinc/97/84/86/350978486.db2.gz IOCVCWCREIPRJN-OSRSDYAFSA-N 0 3 267.376 2.821 20 30 CFEDHN COc1cc(C)c([C@@H](C)N2CC[C@@](O)(CC#N)C2)cc1C ZINC000602696898 350984420 /nfs/dbraw/zinc/98/44/20/350984420.db2.gz LRHGFTMFYAXXHK-PBHICJAKSA-N 0 3 288.391 2.724 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(=O)OC)no1 ZINC000602704009 350989060 /nfs/dbraw/zinc/98/90/60/350989060.db2.gz ACKPLTMCNKBEOU-DGCLKSJQSA-N 0 3 278.352 2.686 20 30 CFEDHN CCOC1CC(CNCC2(C#N)CCCCC2)C1 ZINC000602719999 350999048 /nfs/dbraw/zinc/99/90/48/350999048.db2.gz VVLVEADIQFOQHK-UHFFFAOYSA-N 0 3 250.386 2.865 20 30 CFEDHN CO[C@@](C)(CN1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000602731301 351004239 /nfs/dbraw/zinc/00/42/39/351004239.db2.gz VHWLNXACZSFALA-SFHVURJKSA-N 0 3 284.403 2.926 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000602615347 350947346 /nfs/dbraw/zinc/94/73/46/350947346.db2.gz UNLRWTKYMSUEFL-HOTGVXAUSA-N 0 3 291.439 2.826 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000602617923 350948257 /nfs/dbraw/zinc/94/82/57/350948257.db2.gz PTUNABXBBBEMGX-YJBOKZPZSA-N 0 3 293.370 2.963 20 30 CFEDHN C[C@H](CCC#N)CNC1(C(=O)Nc2ccccc2)CC1 ZINC000602625504 350951398 /nfs/dbraw/zinc/95/13/98/350951398.db2.gz QNMIFFCZPHZTBV-CYBMUJFWSA-N 0 3 271.364 2.687 20 30 CFEDHN COc1cnccc1[C@@H](C)NC1CCC(C#N)CC1 ZINC000602626992 350951688 /nfs/dbraw/zinc/95/16/88/350951688.db2.gz OETOKNBMTYRVDK-PNESKVBLSA-N 0 3 259.353 2.823 20 30 CFEDHN COc1cnccc1[C@H](C)NC1CCC(C#N)CC1 ZINC000602626988 350951831 /nfs/dbraw/zinc/95/18/31/350951831.db2.gz OETOKNBMTYRVDK-HIFPTAJRSA-N 0 3 259.353 2.823 20 30 CFEDHN CN(Cc1ccccc1N1CCOCC1)CC1(CC#N)CC1 ZINC000602767577 351018026 /nfs/dbraw/zinc/01/80/26/351018026.db2.gz RMHPBVHRQJDTIO-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN CN(C)c1cccc(CN(C)CC2(CC#N)CC2)c1 ZINC000602795929 351027998 /nfs/dbraw/zinc/02/79/98/351027998.db2.gz ILBFOMSLLAUEFG-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN N#CCC1(CN2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC000602820050 351036956 /nfs/dbraw/zinc/03/69/56/351036956.db2.gz WPKFGGOBJPFTAS-UHFFFAOYSA-N 0 3 298.430 2.997 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CCCN(c2ccncc2)CC1 ZINC000602849980 351045106 /nfs/dbraw/zinc/04/51/06/351045106.db2.gz SQASNPJEQKZXHB-GOSISDBHSA-N 0 3 292.386 2.859 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](c2cccnc2)C1 ZINC000602852616 351045243 /nfs/dbraw/zinc/04/52/43/351045243.db2.gz DWEHCZRBXCVPBN-HZPDHXFCSA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@H]1CN(CCCC(C)(C)C)C[C@H](C)N1CC#N ZINC000602853533 351045718 /nfs/dbraw/zinc/04/57/18/351045718.db2.gz JRUWGJZONKBGDR-KBPBESRZSA-N 0 3 251.418 2.731 20 30 CFEDHN C[C@@H]1CN(CCCc2ccsc2)C[C@@H](C)N1CC#N ZINC000602853054 351046325 /nfs/dbraw/zinc/04/63/25/351046325.db2.gz GFEUGLADFLCZGF-ZIAGYGMSSA-N 0 3 277.437 2.599 20 30 CFEDHN C[C@@H]1CC[C@@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000602906400 351062188 /nfs/dbraw/zinc/06/21/88/351062188.db2.gz HLYGNNHHKWAHJQ-CJNGLKHVSA-N 0 3 285.391 2.700 20 30 CFEDHN CC1=C[C@H](C)C[C@H](CN2CCN(CCC#N)CC2)C1 ZINC000602747890 351013011 /nfs/dbraw/zinc/01/30/11/351013011.db2.gz IBHLULMLPZBQMZ-HOCLYGCPSA-N 0 3 261.413 2.510 20 30 CFEDHN CCC[C@@H](N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603228591 351122302 /nfs/dbraw/zinc/12/23/02/351122302.db2.gz RFWMJHGIGNPYHO-SMDDNHRTSA-N 0 3 269.352 2.559 20 30 CFEDHN N#CCCCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923272 351068176 /nfs/dbraw/zinc/06/81/76/351068176.db2.gz CRXBSYJZCGYHTA-CYBMUJFWSA-N 0 3 270.735 2.796 20 30 CFEDHN CC1(F)CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000602993211 351087515 /nfs/dbraw/zinc/08/75/15/351087515.db2.gz UJOJHYMHUXIRPN-UHFFFAOYSA-N 0 3 289.354 2.711 20 30 CFEDHN CCN1CCC[C@@H]1CNc1c(C#N)cnn1-c1ccccc1 ZINC000603278114 351129428 /nfs/dbraw/zinc/12/94/28/351129428.db2.gz SLADWVWDDZKTOL-MRXNPFEDSA-N 0 3 295.390 2.640 20 30 CFEDHN CCN1CCC[C@H]1CNc1c(C#N)cnn1-c1ccccc1 ZINC000603278113 351129557 /nfs/dbraw/zinc/12/95/57/351129557.db2.gz SLADWVWDDZKTOL-INIZCTEOSA-N 0 3 295.390 2.640 20 30 CFEDHN C=CCCCN(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000605877280 351257125 /nfs/dbraw/zinc/25/71/25/351257125.db2.gz FGHMNUFLUWEWRP-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCOc1ccc(CN(C)C2(CO)CCC2)cc1OC ZINC000668802746 539814713 /nfs/dbraw/zinc/81/47/13/539814713.db2.gz WSCRTMDUNAOJTG-UHFFFAOYSA-N 0 3 291.391 2.607 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(C2CCCC2)CC1 ZINC000608501992 351448288 /nfs/dbraw/zinc/44/82/88/351448288.db2.gz FMEWMHIMEDHXLX-ZDUSSCGKSA-N 0 3 264.413 2.579 20 30 CFEDHN CCN(Cc1ccc(C(=O)NC[C@@H](C)C#N)cc1)C1CC1 ZINC000609523825 351505064 /nfs/dbraw/zinc/50/50/64/351505064.db2.gz RPDRYYWXTYLACE-ZDUSSCGKSA-N 0 3 285.391 2.560 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000609620240 351511867 /nfs/dbraw/zinc/51/18/67/351511867.db2.gz UMSDBSYNACABRB-SECBINFHSA-N 0 3 270.254 2.524 20 30 CFEDHN N#Cc1cccc(CN2CCc3ccc(O)cc3CC2)c1 ZINC000608866596 351479941 /nfs/dbraw/zinc/47/99/41/351479941.db2.gz CDELRPJAIKMDPZ-UHFFFAOYSA-N 0 3 278.355 2.865 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C(C)C#N)CC3 ZINC000609919844 351528481 /nfs/dbraw/zinc/52/84/81/351528481.db2.gz XHXDNJLWPNWWJB-LLVKDONJSA-N 0 3 267.332 2.521 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000610015876 351531438 /nfs/dbraw/zinc/53/14/38/351531438.db2.gz DHGQHHLMBXOLHV-UFBFGSQYSA-N 0 3 252.264 2.692 20 30 CFEDHN CC[C@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1F ZINC000610008928 351531674 /nfs/dbraw/zinc/53/16/74/351531674.db2.gz RUWJLNQVMCBNMM-INIZCTEOSA-N 0 3 293.361 2.993 20 30 CFEDHN CCCC(=O)NC1CCN(CCCC(C)(C)C#N)CC1 ZINC000610447470 351566471 /nfs/dbraw/zinc/56/64/71/351566471.db2.gz XOBOTSNGCPIARO-UHFFFAOYSA-N 0 3 279.428 2.697 20 30 CFEDHN N#Cc1csc(CNCCN2Cc3ccccc3C2)c1 ZINC000610488678 351570037 /nfs/dbraw/zinc/57/00/37/351570037.db2.gz HBJYOMKRYSCYBE-UHFFFAOYSA-N 0 3 283.400 2.725 20 30 CFEDHN COc1ccc(CN(C)CCCC(C)(C)C#N)cn1 ZINC000611072264 351637535 /nfs/dbraw/zinc/63/75/35/351637535.db2.gz NPXAUBWKYNIPLY-UHFFFAOYSA-N 0 3 261.369 2.852 20 30 CFEDHN COc1ccc2c(c1)CCN(Cc1ccnc(C#N)c1)CC2 ZINC000611173437 351646981 /nfs/dbraw/zinc/64/69/81/351646981.db2.gz VCXUJCHFLMMALT-UHFFFAOYSA-N 0 3 293.370 2.563 20 30 CFEDHN COCCN(Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000611257687 351659189 /nfs/dbraw/zinc/65/91/89/351659189.db2.gz NBINLKWGNRMQKG-UHFFFAOYSA-N 0 3 298.390 2.597 20 30 CFEDHN COc1ccc([C@@H]2CCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000610992305 351629969 /nfs/dbraw/zinc/62/99/69/351629969.db2.gz UFKVOUVNBKBKCO-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN CS[C@@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000610995185 351632174 /nfs/dbraw/zinc/63/21/74/351632174.db2.gz UNXGJWFSVLEZQT-CQSZACIVSA-N 0 3 261.394 2.671 20 30 CFEDHN CS[C@H](CO)[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393459 351681663 /nfs/dbraw/zinc/68/16/63/351681663.db2.gz UMMAWGHTUQZKEM-HFBAOOFYSA-N 0 3 290.432 2.638 20 30 CFEDHN CCN1CCCC[C@H]1CNc1nc(C#N)ccc1C ZINC000611399656 351682887 /nfs/dbraw/zinc/68/28/87/351682887.db2.gz ZPHYUVREUHEPPX-AWEZNQCLSA-N 0 3 258.369 2.548 20 30 CFEDHN CC1(C)CCC(CN2CCN(CCC#N)CC2)CC1 ZINC000611432077 351688902 /nfs/dbraw/zinc/68/89/02/351688902.db2.gz OJXCSOOAUWVIAC-UHFFFAOYSA-N 0 3 263.429 2.734 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000611431869 351689218 /nfs/dbraw/zinc/68/92/18/351689218.db2.gz DUFIYUZVKHISQW-IKGGRYGDSA-N 0 3 277.456 2.978 20 30 CFEDHN N#Cc1ccc(NC(=O)CCN2CC=CCC2)cc1Cl ZINC000611517520 351703595 /nfs/dbraw/zinc/70/35/95/351703595.db2.gz KOLFTUFAAHGXDF-UHFFFAOYSA-N 0 3 289.766 2.802 20 30 CFEDHN CC[C@@H](NC1CCN(CC#N)CC1)c1ccccc1F ZINC000611519199 351703798 /nfs/dbraw/zinc/70/37/98/351703798.db2.gz COHCHSHJMWXDIO-MRXNPFEDSA-N 0 3 275.371 2.854 20 30 CFEDHN C=CCN(CC=C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000611659447 351721597 /nfs/dbraw/zinc/72/15/97/351721597.db2.gz BDVQKCYHBLVLIQ-UHFFFAOYSA-N 0 3 279.428 2.635 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1nccc(C)c1C#N ZINC000612080102 351770947 /nfs/dbraw/zinc/77/09/47/351770947.db2.gz PZGIOXSUJKABEU-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN C[C@@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C#N)c1 ZINC000612417009 351818583 /nfs/dbraw/zinc/81/85/83/351818583.db2.gz MEFNOORNZAFGMV-LLVKDONJSA-N 0 3 292.342 2.991 20 30 CFEDHN CC(C)OCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000612574863 351837292 /nfs/dbraw/zinc/83/72/92/351837292.db2.gz MGJFZSCXPJZTHO-INIZCTEOSA-N 0 3 258.365 2.950 20 30 CFEDHN N#Cc1ccc(CN2CCCN(Cc3ccco3)CC2)cc1 ZINC000122828683 187054278 /nfs/dbraw/zinc/05/42/78/187054278.db2.gz BNDWIPMTYLYIII-UHFFFAOYSA-N 0 3 295.386 2.859 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cccc(C#N)c1F ZINC000613390720 351949490 /nfs/dbraw/zinc/94/94/90/351949490.db2.gz YFKLRHXUVXZADA-DYVFJYSZSA-N 0 3 298.361 2.952 20 30 CFEDHN CN1CC=C(CNc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613429612 351958243 /nfs/dbraw/zinc/95/82/43/351958243.db2.gz YLMBTKKDJSGHBD-UHFFFAOYSA-N 0 3 284.407 2.925 20 30 CFEDHN C[C@H](Cn1cccn1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614167293 352055762 /nfs/dbraw/zinc/05/57/62/352055762.db2.gz IWBVKEWZWXLPPW-CQSZACIVSA-N 0 3 282.391 2.863 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169775 352056226 /nfs/dbraw/zinc/05/62/26/352056226.db2.gz UKFHSUFHJOIZLT-HNNXBMFYSA-N 0 3 258.365 2.708 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1O ZINC000614595428 352105986 /nfs/dbraw/zinc/10/59/86/352105986.db2.gz SJUBBEPIDFALDP-BBRMVZONSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCN(C(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000615002630 352141279 /nfs/dbraw/zinc/14/12/79/352141279.db2.gz OJZDSIVSKDIETB-UHFFFAOYSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1CC ZINC000132439567 187628176 /nfs/dbraw/zinc/62/81/76/187628176.db2.gz OFGNOZIFRJJDSR-HNNXBMFYSA-N 0 3 264.413 2.745 20 30 CFEDHN COC1(CN2CCC[C@](C)(C#N)C2)CCCCC1 ZINC000616731757 352426371 /nfs/dbraw/zinc/42/63/71/352426371.db2.gz DYYKCKYUUXXVKH-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN CCOC(=O)CCN(CC#Cc1ccccc1)CC1CC1 ZINC000616750741 352427128 /nfs/dbraw/zinc/42/71/28/352427128.db2.gz QBLDZPLCZBIWOO-UHFFFAOYSA-N 0 3 285.387 2.703 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC000617039163 352474996 /nfs/dbraw/zinc/47/49/96/352474996.db2.gz DCZWFYNVUIHPSJ-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000617042824 352478391 /nfs/dbraw/zinc/47/83/91/352478391.db2.gz WDNYBOFCWHAHOE-HOTGVXAUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000292121690 198172118 /nfs/dbraw/zinc/17/21/18/198172118.db2.gz BXXCYGMWRNNEHL-INIZCTEOSA-N 0 3 286.419 2.979 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)CC[S@@](C)=O)cc1 ZINC000271571125 191219468 /nfs/dbraw/zinc/21/94/68/191219468.db2.gz ZCFNZVLQZLKQFT-PJSUUKDQSA-N 0 3 293.432 2.506 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000617782827 352645752 /nfs/dbraw/zinc/64/57/52/352645752.db2.gz NEWYPMZRHIIQJY-HNNXBMFYSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCN2CCC)C1 ZINC000617785904 352646495 /nfs/dbraw/zinc/64/64/95/352646495.db2.gz PENPSVOYBJIAHY-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000617925766 352672314 /nfs/dbraw/zinc/67/23/14/352672314.db2.gz SUNKZQYHAHQJQE-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000617925765 352672611 /nfs/dbraw/zinc/67/26/11/352672611.db2.gz SUNKZQYHAHQJQE-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1cc(CN[C@@]2(CO)CCc3ccccc32)ccc1C#N ZINC000618195221 352736477 /nfs/dbraw/zinc/73/64/77/352736477.db2.gz KHNCINMPIIGMFP-LJQANCHMSA-N 0 3 292.382 2.790 20 30 CFEDHN Cc1cc([C@@H](C)NC2CCN(CC#N)CC2)c(C)o1 ZINC000618567899 352811850 /nfs/dbraw/zinc/81/18/50/352811850.db2.gz IGWWEQZGQIOWHB-GFCCVEGCSA-N 0 3 261.369 2.535 20 30 CFEDHN CC[C@H](N[C@@H](CC(C)C)C(=O)NC)c1ccc(C#N)cc1 ZINC000618574537 352815713 /nfs/dbraw/zinc/81/57/13/352815713.db2.gz BCBJSLRBAIGEOL-HOTGVXAUSA-N 0 3 287.407 2.760 20 30 CFEDHN Cn1cccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618742173 352875916 /nfs/dbraw/zinc/87/59/16/352875916.db2.gz KLKJYVOWISTDEQ-MRXNPFEDSA-N 0 3 251.333 2.674 20 30 CFEDHN Cc1cc(CN2CCC3(CCOC3)CC2)ccc1C#N ZINC000618752642 352877110 /nfs/dbraw/zinc/87/71/10/352877110.db2.gz NWVGKOBRZXPTRO-UHFFFAOYSA-N 0 3 270.376 2.869 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C)C(=O)Nc1ccccc1 ZINC000618887699 352905817 /nfs/dbraw/zinc/90/58/17/352905817.db2.gz FGYKXOPZBKUCKE-CHWSQXEVSA-N 0 3 259.353 2.543 20 30 CFEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCC(C)CC2)CCC1 ZINC000618984921 352927000 /nfs/dbraw/zinc/92/70/00/352927000.db2.gz ANCZGCIRJGNGBP-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN Cc1n[nH]cc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618801801 352883087 /nfs/dbraw/zinc/88/30/87/352883087.db2.gz CEGTWJRNOHRGEN-HWPZZCPQSA-N 0 3 266.348 2.928 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000619272976 352990193 /nfs/dbraw/zinc/99/01/93/352990193.db2.gz FBOFAWYRKMBSSS-LBPRGKRZSA-N 0 3 262.328 2.941 20 30 CFEDHN N#CCC1(CN[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000619530055 353033686 /nfs/dbraw/zinc/03/36/86/353033686.db2.gz RATZBQVFEASXJZ-AWEZNQCLSA-N 0 3 255.365 2.549 20 30 CFEDHN Cn1ccc(CNCc2ccc(C#N)c(Cl)c2)c1 ZINC000619748906 353063634 /nfs/dbraw/zinc/06/36/34/353063634.db2.gz YFRMNYHZXJPQGH-UHFFFAOYSA-N 0 3 259.740 2.840 20 30 CFEDHN CCOC[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754669 353063683 /nfs/dbraw/zinc/06/36/83/353063683.db2.gz HDHSVNVNZYWFPG-SNVBAGLBSA-N 0 3 252.745 2.726 20 30 CFEDHN C[C@H](CN1CCN(c2cccc(C#N)n2)CC1)C(C)(C)C ZINC000619845165 353068323 /nfs/dbraw/zinc/06/83/23/353068323.db2.gz ZQCPHXMQAWTYGQ-CQSZACIVSA-N 0 3 286.423 2.757 20 30 CFEDHN CCC(=O)Nc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000619672380 353047868 /nfs/dbraw/zinc/04/78/68/353047868.db2.gz SMTHWKDNQIYJOS-TZMCWYRMSA-N 0 3 271.364 2.817 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC[C@@H]2OCCc3ccccc32)C1 ZINC000619673070 353047978 /nfs/dbraw/zinc/04/79/78/353047978.db2.gz QFADZJMQRMHCPF-INWMFGNUSA-N 0 3 256.349 2.582 20 30 CFEDHN C=C(C)COc1cc(CN[C@](C)(CC)CO)ccc1OC ZINC000152172744 188000462 /nfs/dbraw/zinc/00/04/62/188000462.db2.gz JJQMKSVBAZWTQM-QGZVFWFLSA-N 0 3 293.407 2.901 20 30 CFEDHN CCOC[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000154266795 188132732 /nfs/dbraw/zinc/13/27/32/188132732.db2.gz MTWWDVUTFKNSRJ-HNNXBMFYSA-N 0 3 261.340 2.536 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2O[C@@H](C)C1 ZINC000292441076 198289158 /nfs/dbraw/zinc/28/91/58/198289158.db2.gz OLGHIQXEVWZIKL-DZGCQCFKSA-N 0 3 261.365 2.597 20 30 CFEDHN CC#CCCN(CCOCCOC)Cc1ccccc1 ZINC000156046049 188239750 /nfs/dbraw/zinc/23/97/50/188239750.db2.gz WIXBDFFBPAOCHD-UHFFFAOYSA-N 0 3 275.392 2.565 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCN[C@H](C(C)C)C1)c1ccccc1 ZINC000621156981 353289346 /nfs/dbraw/zinc/28/93/46/353289346.db2.gz MABCPSLCMNBQKM-SJORKVTESA-N 0 3 286.419 2.803 20 30 CFEDHN C=C(C)CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000156508583 188265757 /nfs/dbraw/zinc/26/57/57/188265757.db2.gz GBWKOUJUAAZMSV-INIZCTEOSA-N 0 3 287.407 2.526 20 30 CFEDHN C#CC[C@H](NCCn1ccnc1C)c1ccccc1 ZINC000271681792 191274493 /nfs/dbraw/zinc/27/44/93/191274493.db2.gz IPJOEZSIDYOSGX-INIZCTEOSA-N 0 3 253.349 2.546 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000449784583 535224414 /nfs/dbraw/zinc/22/44/14/535224414.db2.gz BRISOPDUEVDUIP-GFCCVEGCSA-N 0 3 263.410 2.534 20 30 CFEDHN Cc1nc(N[C@@H](C)C2=CCN(C)CC2)c(Cl)cc1C#N ZINC000292638317 198359354 /nfs/dbraw/zinc/35/93/54/198359354.db2.gz OMEHFCNTFZHHFU-JTQLQIEISA-N 0 3 290.798 2.977 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](C)[C@H](CO)C1 ZINC000621738510 353415525 /nfs/dbraw/zinc/41/55/25/353415525.db2.gz IGDCLAFHRQQNFO-ZBFHGGJFSA-N 0 3 275.392 2.702 20 30 CFEDHN C=C(C)COCCNCc1ccc(F)c(F)c1N(C)C ZINC000623449656 353647743 /nfs/dbraw/zinc/64/77/43/353647743.db2.gz GCSNHDHJGOCELG-UHFFFAOYSA-N 0 3 284.350 2.713 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000623721284 353711363 /nfs/dbraw/zinc/71/13/63/353711363.db2.gz SEYKAXLWRCEMJH-HOTGVXAUSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1cccc(C)c1)C(C)C ZINC000623946319 353767275 /nfs/dbraw/zinc/76/72/75/353767275.db2.gz WWJMGLRZEULVHH-MRXNPFEDSA-N 0 3 260.381 2.584 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H]1CCCc2scnc21 ZINC000624003800 353780799 /nfs/dbraw/zinc/78/07/99/353780799.db2.gz JOGJHIUFLMMQHQ-SRVKXCTJSA-N 0 3 264.394 2.701 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624112947 353808793 /nfs/dbraw/zinc/80/87/93/353808793.db2.gz QNZHRTYDZSTIMH-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000624466267 353887199 /nfs/dbraw/zinc/88/71/99/353887199.db2.gz QMFHXFRWTATUDA-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000625701076 354088703 /nfs/dbraw/zinc/08/87/03/354088703.db2.gz MTLVTAKGDQEZJC-ZDUSSCGKSA-N 0 3 290.432 2.531 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000625704972 354091623 /nfs/dbraw/zinc/09/16/23/354091623.db2.gz WGIOWAAVNOYUGD-HNNXBMFYSA-N 0 3 297.402 2.521 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000625897642 354135639 /nfs/dbraw/zinc/13/56/39/354135639.db2.gz MYJLGTWXTUNSLW-LBPRGKRZSA-N 0 3 271.364 2.720 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(NC)cc2)CC1 ZINC000625933410 354147952 /nfs/dbraw/zinc/14/79/52/354147952.db2.gz BVDMNYVOLMERAL-UHFFFAOYSA-N 0 3 288.395 2.500 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626180460 354224249 /nfs/dbraw/zinc/22/42/49/354224249.db2.gz NRKWHJYRDHBFGA-MLGOLLRUSA-N 0 3 258.365 2.933 20 30 CFEDHN CCC#C[C@H](C)N[C@H](c1ccc(OC)nc1)C1CC1 ZINC000626180459 354224624 /nfs/dbraw/zinc/22/46/24/354224624.db2.gz NRKWHJYRDHBFGA-LRDDRELGSA-N 0 3 258.365 2.933 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CC)C1CCN(C)CC1 ZINC000627618136 354382352 /nfs/dbraw/zinc/38/23/52/354382352.db2.gz IDIUTORSEQEHJX-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cnc(C)o1)C(C)C ZINC000628201967 354474475 /nfs/dbraw/zinc/47/44/75/354474475.db2.gz BYDLZQSABFVDKJ-INIZCTEOSA-N 0 3 277.412 2.771 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)c2ccc(C)cc2)C1=O ZINC000628259123 354508484 /nfs/dbraw/zinc/50/84/84/354508484.db2.gz HVUGCCMUMHSDPB-DOTOQJQBSA-N 0 3 286.419 2.817 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OC(F)(F)F ZINC000320333246 540031403 /nfs/dbraw/zinc/03/14/03/540031403.db2.gz ZQTYIYFOJQSBMH-NSHDSACASA-N 0 3 275.270 2.612 20 30 CFEDHN N#Cc1cccc(C2(NCCN3CCCCC3)CC2)c1 ZINC000271760384 191309724 /nfs/dbraw/zinc/30/97/24/191309724.db2.gz HQWKNRDDJMZKDO-UHFFFAOYSA-N 0 3 269.392 2.623 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000628965030 354708791 /nfs/dbraw/zinc/70/87/91/354708791.db2.gz STYMSLOEXMXJCK-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000349308530 283058215 /nfs/dbraw/zinc/05/82/15/283058215.db2.gz ABLNFWJVPKYXLR-MPKXVKKWSA-N 0 3 260.312 2.931 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271786253 191326770 /nfs/dbraw/zinc/32/67/70/191326770.db2.gz TXPPRFIYZWWMPN-VXGBXAGGSA-N 0 3 264.325 2.573 20 30 CFEDHN N#Cc1cccc(C2(NC[C@@H](O)Cc3ccccc3)CC2)c1 ZINC000271841439 191360631 /nfs/dbraw/zinc/36/06/31/191360631.db2.gz VVXOKANQVUNOTK-SFHVURJKSA-N 0 3 292.382 2.741 20 30 CFEDHN N#Cc1cccc(OCCN[C@H](CCO)c2ccccc2)c1 ZINC000271816910 191343766 /nfs/dbraw/zinc/34/37/66/191343766.db2.gz VBSZBQFSTGEHKW-GOSISDBHSA-N 0 3 296.370 2.650 20 30 CFEDHN COc1cccc([C@H](O)CN[C@@H](C)c2cccc(C#N)c2)c1 ZINC000271845919 191365090 /nfs/dbraw/zinc/36/50/90/191365090.db2.gz QJNWAQOIORGTFP-SCLBCKFNSA-N 0 3 296.370 2.951 20 30 CFEDHN C=C1CC(C)(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000631144914 355314342 /nfs/dbraw/zinc/31/43/42/355314342.db2.gz WDWIZSYXNWFMGV-OKILXGFUSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H](C)NCc1ccncc1Br ZINC000631075185 355276817 /nfs/dbraw/zinc/27/68/17/355276817.db2.gz NOIYRYUURGQBAE-SECBINFHSA-N 0 3 255.159 2.898 20 30 CFEDHN C=CCC[C@@H](NCC[C@@H](O)C(F)F)c1ccco1 ZINC000631703565 355555925 /nfs/dbraw/zinc/55/59/25/355555925.db2.gz TYNZWCONSJFPKN-GHMZBOCLSA-N 0 3 259.296 2.893 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCCc2ncccc21 ZINC000631632925 355523881 /nfs/dbraw/zinc/52/38/81/355523881.db2.gz PFJRAUKKWYWIJS-OAGGEKHMSA-N 0 3 258.365 2.782 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC(C)(C)CC)CC1 ZINC000633039240 355792374 /nfs/dbraw/zinc/79/23/74/355792374.db2.gz BSETZLMAXZFZMI-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)NC1CCN(CC)CC1 ZINC000633074179 355799152 /nfs/dbraw/zinc/79/91/52/355799152.db2.gz LPCXFMNFUPIDKZ-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000633411483 355895195 /nfs/dbraw/zinc/89/51/95/355895195.db2.gz TWGADSKRVYIUMZ-QGZVFWFLSA-N 0 3 293.455 2.716 20 30 CFEDHN C=C[C@](C)(CC)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634096718 356091010 /nfs/dbraw/zinc/09/10/10/356091010.db2.gz XMGTVPMJIGUYIV-MRXNPFEDSA-N 0 3 290.411 2.691 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)o1 ZINC000335422632 283139948 /nfs/dbraw/zinc/13/99/48/283139948.db2.gz GPSYTFLAJMVUDR-IUODEOHRSA-N 0 3 260.337 2.542 20 30 CFEDHN N#Cc1ccc(CNCCC2(O)CCC2)c(C(F)(F)F)c1 ZINC000352929209 283145154 /nfs/dbraw/zinc/14/51/54/283145154.db2.gz CERJRGIPBBOGDT-UHFFFAOYSA-N 0 3 298.308 2.972 20 30 CFEDHN C=CCC[C@@H](NCCCc1cnn(C)n1)c1ccco1 ZINC000293633241 198710403 /nfs/dbraw/zinc/71/04/03/198710403.db2.gz GRDSFRNWBVSILF-CQSZACIVSA-N 0 3 274.368 2.638 20 30 CFEDHN N#Cc1ccc(N2CCc3cnccc32)cc1[N+](=O)[O-] ZINC000357506323 283170055 /nfs/dbraw/zinc/17/00/55/283170055.db2.gz CJQZPIGUORMZOL-UHFFFAOYSA-N 0 3 266.260 2.556 20 30 CFEDHN N#Cc1ncccc1N1CCN(CC2CCCCC2)CC1 ZINC000357191418 283253554 /nfs/dbraw/zinc/25/35/54/283253554.db2.gz PMYRWZHGOHFTGO-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CCCN(CCn1cc(C)cn1)Cc1ccc(C#N)cc1 ZINC000341829803 283269179 /nfs/dbraw/zinc/26/91/79/283269179.db2.gz DIXLKFFEARIOLT-UHFFFAOYSA-N 0 3 282.391 2.975 20 30 CFEDHN C#CCCN1CCN(c2cc(CC)nc3ccccc32)CC1 ZINC000301976655 540268215 /nfs/dbraw/zinc/26/82/15/540268215.db2.gz DRYCUYQQNOKUNG-UHFFFAOYSA-N 0 3 293.414 2.943 20 30 CFEDHN C=CCCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294374551 199015808 /nfs/dbraw/zinc/01/58/08/199015808.db2.gz RCCVXMWGVJEJFA-CQSZACIVSA-N 0 3 274.343 2.979 20 30 CFEDHN COc1ccc(CN2CC[C@H](O)CC(C)(C)C2)cc1C#N ZINC000294690318 199136721 /nfs/dbraw/zinc/13/67/21/199136721.db2.gz ADLWQOKVAURXAX-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN C=C(CC)CN[C@@H](CC)c1ccccc1OCC(=O)NC ZINC000678748453 540476499 /nfs/dbraw/zinc/47/64/99/540476499.db2.gz WXOSBDFDLYEQMW-HNNXBMFYSA-N 0 3 290.407 2.818 20 30 CFEDHN CCC(=O)CCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000296965898 200048327 /nfs/dbraw/zinc/04/83/27/200048327.db2.gz CVJIIBHIWSGJKL-UHFFFAOYSA-N 0 3 288.391 2.766 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(C)s1 ZINC000297063302 200075036 /nfs/dbraw/zinc/07/50/36/200075036.db2.gz ZEXOZVPJTMHDEU-AAEUAGOBSA-N 0 3 252.383 2.522 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccnc(N)c1 ZINC000298017348 200318177 /nfs/dbraw/zinc/31/81/77/200318177.db2.gz ZUABFWGLYCEERP-UHFFFAOYSA-N 0 3 280.375 2.948 20 30 CFEDHN C=CCCCCCCNCc1cn2cccnc2n1 ZINC000298072752 200327761 /nfs/dbraw/zinc/32/77/61/200327761.db2.gz LCBMOWHFVSLLMA-UHFFFAOYSA-N 0 3 258.369 2.955 20 30 CFEDHN C#C[C@H](C)NCc1cc(Cl)c(O)c(OCC)c1 ZINC000298218334 200363607 /nfs/dbraw/zinc/36/36/07/200363607.db2.gz ZXYZOUSXVUTXCJ-VIFPVBQESA-N 0 3 253.729 2.556 20 30 CFEDHN CC(C)(C)C[C@H](O)CNCc1ccc(C#N)s1 ZINC000176971769 189017747 /nfs/dbraw/zinc/01/77/47/189017747.db2.gz CCOCQGJLGMSCLB-JTQLQIEISA-N 0 3 252.383 2.506 20 30 CFEDHN CO[C@]1(C)C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000176980610 189018586 /nfs/dbraw/zinc/01/85/86/189018586.db2.gz YPYOQHHQTYWCCT-GXTWGEPZSA-N 0 3 264.394 2.913 20 30 CFEDHN C#CCOc1ccccc1CNCCCc1ccccn1 ZINC000178934945 189155523 /nfs/dbraw/zinc/15/55/23/189155523.db2.gz FDZCATZQCDXDEF-UHFFFAOYSA-N 0 3 280.371 2.816 20 30 CFEDHN CCN(Cc1cnc[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463616 189196461 /nfs/dbraw/zinc/19/64/61/189196461.db2.gz MFOPDSCWSCNVEZ-LBPRGKRZSA-N 0 3 254.337 2.864 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](OC)C2)c1 ZINC000179667388 189211389 /nfs/dbraw/zinc/21/13/89/189211389.db2.gz BWPCIPOBVOMATO-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCN[C@@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180014659 189232487 /nfs/dbraw/zinc/23/24/87/189232487.db2.gz VNXJZWSIEVDORX-GXFFZTMASA-N 0 3 260.337 2.633 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(CCC)cc1 ZINC000180028281 189233519 /nfs/dbraw/zinc/23/35/19/189233519.db2.gz IZCDEGXIIOQMFR-CYBMUJFWSA-N 0 3 260.381 2.592 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000180456354 189256575 /nfs/dbraw/zinc/25/65/75/189256575.db2.gz FJWXOYIERJRORH-GFCCVEGCSA-N 0 3 299.461 2.660 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC(C)C)c1ccccc1 ZINC000180754870 189273400 /nfs/dbraw/zinc/27/34/00/189273400.db2.gz BXHGPJIHNRSAGQ-OAHLLOKOSA-N 0 3 260.381 2.666 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCCC3)O2)s1 ZINC000180930040 189283848 /nfs/dbraw/zinc/28/38/48/189283848.db2.gz VKTNKQXVGRWZBL-LBPRGKRZSA-N 0 3 292.404 2.785 20 30 CFEDHN C#CCSCCN[C@@H]1CCCOc2ccccc21 ZINC000181093104 189288658 /nfs/dbraw/zinc/28/86/58/189288658.db2.gz YYVNRQJFFMLJPU-CQSZACIVSA-N 0 3 261.390 2.856 20 30 CFEDHN CC(C)(C)[C@@H](CCO)NCc1cc(C#N)ccc1F ZINC000181474966 189298068 /nfs/dbraw/zinc/29/80/68/189298068.db2.gz QKVPVEMNDMFKNX-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000181437063 189296960 /nfs/dbraw/zinc/29/69/60/189296960.db2.gz XLTBNVAAHWZHGW-SWLSCSKDSA-N 0 3 285.334 2.569 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC1CC1 ZINC001098971916 781938820 /nfs/dbraw/zinc/93/88/20/781938820.db2.gz UTSSQDPMTYFNIA-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC1CC1 ZINC001098971917 781939078 /nfs/dbraw/zinc/93/90/78/781939078.db2.gz UTSSQDPMTYFNIA-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000671706102 541056024 /nfs/dbraw/zinc/05/60/24/541056024.db2.gz ISIAGANWMFXQEK-ZIAGYGMSSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCOCCNC/C=C/c1ccc(F)c(F)c1 ZINC000671718301 541058610 /nfs/dbraw/zinc/05/86/10/541058610.db2.gz JZYVKASXLHGJBG-ONEGZZNKSA-N 0 3 253.292 2.770 20 30 CFEDHN COC1CCN(CCNc2cc(Cl)ccc2C#N)CC1 ZINC000301525188 201045942 /nfs/dbraw/zinc/04/59/42/201045942.db2.gz HNEGAXUYLSGAAX-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN C=CCC[C@@H](NCCN1CCC(OC)CC1)c1ccco1 ZINC000671750276 541075098 /nfs/dbraw/zinc/07/50/98/541075098.db2.gz XMQPXSAJXFKNRR-MRXNPFEDSA-N 0 3 292.423 2.987 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671753155 541085402 /nfs/dbraw/zinc/08/54/02/541085402.db2.gz FNNRHTDFUAWMEW-NSHDSACASA-N 0 3 276.336 2.777 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000302061115 201325171 /nfs/dbraw/zinc/32/51/71/201325171.db2.gz SXTVLRPGDZYQMW-DOTOQJQBSA-N 0 3 297.402 2.681 20 30 CFEDHN CC[C@H](NCc1cccn(CC)c1=O)c1ccc(C#N)cc1 ZINC000433089183 240097017 /nfs/dbraw/zinc/09/70/17/240097017.db2.gz HVWILGNLXDKFIH-KRWDZBQOSA-N 0 3 295.386 2.981 20 30 CFEDHN C=CCCn1cc(CNC23CCC(CC2)CC3)nn1 ZINC000668219154 541405319 /nfs/dbraw/zinc/40/53/19/541405319.db2.gz DMMLWTBFEYRYCT-UHFFFAOYSA-N 0 3 260.385 2.667 20 30 CFEDHN N#Cc1csc(CNCCOCC(F)(F)C(F)F)c1 ZINC000434784316 240270824 /nfs/dbraw/zinc/27/08/24/240270824.db2.gz DCQZWBLMALMFPL-UHFFFAOYSA-N 0 3 296.289 2.626 20 30 CFEDHN COc1cc(CN2CC(C)=C[C@@H](C)C2)ccc1C#N ZINC000443064632 241035307 /nfs/dbraw/zinc/03/53/07/241035307.db2.gz CPESTRGMMZGGFX-GFCCVEGCSA-N 0 3 256.349 2.965 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)s1 ZINC000443791206 241090135 /nfs/dbraw/zinc/09/01/35/241090135.db2.gz PXPLAUHYHOPWRR-UHIISALHSA-N 0 3 264.394 2.601 20 30 CFEDHN CO[C@@H]([C@@H](C)NCc1ccc(C#N)c(C)c1)C1CC1 ZINC000449629582 242075986 /nfs/dbraw/zinc/07/59/86/242075986.db2.gz KUQFUYTXXYIDRI-WBMJQRKESA-N 0 3 258.365 2.770 20 30 CFEDHN N#Cc1ccc2ncc(CN3C[C@H](C4CC4)[C@H]3C3CC3)n2c1 ZINC000449533311 242009008 /nfs/dbraw/zinc/00/90/08/242009008.db2.gz FHPXMGBEPKYRHY-SJLPKXTDSA-N 0 3 292.386 2.826 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)s1 ZINC000449556946 242027075 /nfs/dbraw/zinc/02/70/75/242027075.db2.gz TZBLVJVHWKEWST-JHJVBQTASA-N 0 3 276.405 2.603 20 30 CFEDHN COc1ccc(CN2CCC[C@]3(CCOC3)C2)cc1C#N ZINC000449684686 242106752 /nfs/dbraw/zinc/10/67/52/242106752.db2.gz LWDDWOOJLJLCHV-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN Cc1cc(C#N)cc(NCc2cnccc2N(C)C)c1 ZINC000449761400 242144245 /nfs/dbraw/zinc/14/42/45/242144245.db2.gz XDOUSPOOZPRHGQ-UHFFFAOYSA-N 0 3 266.348 2.940 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275964189 193174225 /nfs/dbraw/zinc/17/42/25/193174225.db2.gz BUHWBCPEGIPVRX-SJLPKXTDSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC12CCC2)C(C)C ZINC000675329855 541642567 /nfs/dbraw/zinc/64/25/67/541642567.db2.gz FRRIAJPVFSEXLD-HOTGVXAUSA-N 0 3 290.451 2.991 20 30 CFEDHN COC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000452090938 243042242 /nfs/dbraw/zinc/04/22/42/243042242.db2.gz RFSRSLKKXOQZPX-CYBMUJFWSA-N 0 3 276.355 2.946 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000249130987 284068114 /nfs/dbraw/zinc/06/81/14/284068114.db2.gz UVKWWHMCBLAOLH-WOSRLPQWSA-N 0 3 286.375 2.750 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000675905690 541707395 /nfs/dbraw/zinc/70/73/95/541707395.db2.gz BWGZYDRPBZRGMX-INIZCTEOSA-N 0 3 297.402 2.746 20 30 CFEDHN N#Cc1csc(CNCC2(C(N)=O)CCCC2)c1 ZINC000330692693 203123918 /nfs/dbraw/zinc/12/39/18/203123918.db2.gz HNCNIICFWQDEPP-UHFFFAOYSA-N 0 3 263.366 2.805 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000276072362 193205184 /nfs/dbraw/zinc/20/51/84/193205184.db2.gz AANOITLXADLHSO-OLZOCXBDSA-N 0 3 278.371 2.899 20 30 CFEDHN C=CCN(CCc1ccnn1C)Cc1ccc(OC)cc1 ZINC000276319140 193286765 /nfs/dbraw/zinc/28/67/65/193286765.db2.gz OCXPMLPGSMHATO-UHFFFAOYSA-N 0 3 285.391 2.659 20 30 CFEDHN COCC#CCN1CCC[C@@H]1CCc1ccccc1 ZINC000677133489 541826669 /nfs/dbraw/zinc/82/66/69/541826669.db2.gz YUTDAODFZCMFDJ-QGZVFWFLSA-N 0 3 257.377 2.733 20 30 CFEDHN CN(C)CC(C)(C)NCc1ccc(C#N)cc1OC(F)F ZINC000459542621 245212313 /nfs/dbraw/zinc/21/23/13/245212313.db2.gz ASDWGQJJMVPIRT-UHFFFAOYSA-N 0 3 297.349 2.589 20 30 CFEDHN Cc1noc([C@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000332083762 204458001 /nfs/dbraw/zinc/45/80/01/204458001.db2.gz PHLOQJVQLYEYPH-HNNXBMFYSA-N 0 3 282.347 2.548 20 30 CFEDHN CCN(CC#CCOC)[C@H](C)c1cccc(OC)c1 ZINC000677477811 541864319 /nfs/dbraw/zinc/86/43/19/541864319.db2.gz ZCTXGZDYSLQNLZ-CQSZACIVSA-N 0 3 261.365 2.728 20 30 CFEDHN C=CCC[C@H](O)CN(CCOC)Cc1cccs1 ZINC000036096557 372559313 /nfs/dbraw/zinc/55/93/13/372559313.db2.gz PTQBXFVZWJTOEF-ZDUSSCGKSA-N 0 3 269.410 2.524 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000451700537 383685631 /nfs/dbraw/zinc/68/56/31/383685631.db2.gz GLMAWECRZJTFEQ-IJEWVQPXSA-N 0 3 288.366 2.680 20 30 CFEDHN COc1ccc(OC)c(C(=O)C(C#N)c2ccccn2)c1 ZINC000041493472 372843013 /nfs/dbraw/zinc/84/30/13/372843013.db2.gz UYOYSVBILVKZSI-ZDUSSCGKSA-N 0 3 282.299 2.589 20 30 CFEDHN COc1ccc(OC)c(C(=O)C(C#N)c2ccccn2)c1 ZINC000041493473 372843820 /nfs/dbraw/zinc/84/38/20/372843820.db2.gz UYOYSVBILVKZSI-CYBMUJFWSA-N 0 3 282.299 2.589 20 30 CFEDHN COc1ccc(N2CCN(CCCCC#N)CC2)cc1 ZINC000042312664 372907178 /nfs/dbraw/zinc/90/71/78/372907178.db2.gz KEAKTVJCUBUZSV-UHFFFAOYSA-N 0 3 273.380 2.511 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CCCCO1 ZINC000042815802 372958604 /nfs/dbraw/zinc/95/86/04/372958604.db2.gz KUIOSWPMFGETGL-HNNXBMFYSA-N 0 3 261.365 2.910 20 30 CFEDHN CC(C)N(CC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000047861644 373121935 /nfs/dbraw/zinc/12/19/35/373121935.db2.gz CJSMOHGFKRBPEU-UHFFFAOYSA-N 0 3 271.364 2.617 20 30 CFEDHN Cn1cc(CN2CCC(c3ccncc3)CC2)cc1C#N ZINC000289754007 197470802 /nfs/dbraw/zinc/47/08/02/197470802.db2.gz JJDSRJRSEPSMGB-UHFFFAOYSA-N 0 3 280.375 2.671 20 30 CFEDHN N#Cc1ccc(N2CCC(NCc3ccoc3)CC2)cc1 ZINC000263859932 383689349 /nfs/dbraw/zinc/68/93/49/383689349.db2.gz VGQCETGEBQJZKO-UHFFFAOYSA-N 0 3 281.359 2.910 20 30 CFEDHN C[C@@H](CN1CCCCC1)NCc1ccc(C#N)cc1F ZINC000049501803 373307074 /nfs/dbraw/zinc/30/70/74/373307074.db2.gz QYNFOQRJCASUIP-ZDUSSCGKSA-N 0 3 275.371 2.661 20 30 CFEDHN CCN1CCC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000049957038 373336993 /nfs/dbraw/zinc/33/69/93/373336993.db2.gz RSMXCVJWRYELBC-HNNXBMFYSA-N 0 3 284.407 2.728 20 30 CFEDHN CCC(C#N)(CC)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000529417068 383690191 /nfs/dbraw/zinc/69/01/91/383690191.db2.gz GOPAJJTVMHAHEK-AWEZNQCLSA-N 0 3 291.439 2.649 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1cc(C#N)ccc1F ZINC000451723680 383691681 /nfs/dbraw/zinc/69/16/81/383691681.db2.gz ANOMIICPEQHTPS-OAHLLOKOSA-N 0 3 275.371 2.613 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H](CC)CO)ccc1OC ZINC000057958837 373618527 /nfs/dbraw/zinc/61/85/27/373618527.db2.gz AJTKMFOJCNSBCH-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000061702221 373722690 /nfs/dbraw/zinc/72/26/90/373722690.db2.gz CWCWGTTZUXEKNI-MRXNPFEDSA-N 0 3 279.343 2.607 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000061948006 373739206 /nfs/dbraw/zinc/73/92/06/373739206.db2.gz DOTLZYSGOIEWLQ-GOSISDBHSA-N 0 3 280.371 2.898 20 30 CFEDHN N#Cc1ccc(Cl)cc1N[C@@H]1CCN(C2CC2)C1 ZINC000061981095 373740494 /nfs/dbraw/zinc/74/04/94/373740494.db2.gz WXWFOVVOJORIKI-GFCCVEGCSA-N 0 3 261.756 2.860 20 30 CFEDHN C=CCN(CCC(=O)OCC)CCc1ccccc1 ZINC000062364298 373758946 /nfs/dbraw/zinc/75/89/46/373758946.db2.gz RPWOWFRDFWLWKS-UHFFFAOYSA-N 0 3 261.365 2.670 20 30 CFEDHN C#CCNC1(c2cccc(Br)c2)CCOCC1 ZINC000065604359 373893674 /nfs/dbraw/zinc/89/36/74/373893674.db2.gz IIOJKZOFOGVNGO-UHFFFAOYSA-N 0 3 294.192 2.678 20 30 CFEDHN C[C@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905426 373962582 /nfs/dbraw/zinc/96/25/82/373962582.db2.gz LVSLGRJMOPEZSA-CQSZACIVSA-N 0 3 296.370 2.608 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2CCC(CC)CC2)CC1 ZINC000070825237 374203131 /nfs/dbraw/zinc/20/31/31/374203131.db2.gz WTGCTWXKXJLKIP-UHFFFAOYSA-N 0 3 290.451 2.664 20 30 CFEDHN COCC#CCN1CCC[C@H](Cc2ccccc2)C1 ZINC000677816822 541909634 /nfs/dbraw/zinc/90/96/34/541909634.db2.gz BFWBNHPXLKTYOK-QGZVFWFLSA-N 0 3 257.377 2.591 20 30 CFEDHN COCC#CCN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000677816889 541910223 /nfs/dbraw/zinc/91/02/23/541910223.db2.gz CPAYKZZRGTZASV-CQSZACIVSA-N 0 3 263.768 2.779 20 30 CFEDHN COCC#CCN1CCC(Cc2cccc(F)c2)CC1 ZINC000677818523 541910367 /nfs/dbraw/zinc/91/03/67/541910367.db2.gz QSKMLDPWHRQNAI-UHFFFAOYSA-N 0 3 275.367 2.730 20 30 CFEDHN COCC#CCN1CCC(c2ccc(OC)cc2)CC1 ZINC000677820113 541911183 /nfs/dbraw/zinc/91/11/83/541911183.db2.gz GNWKATCESAYYSI-UHFFFAOYSA-N 0 3 273.376 2.524 20 30 CFEDHN COc1ccc(CNC[C@@H](OC)C(C)(C)C)cc1C#N ZINC000072925423 374303042 /nfs/dbraw/zinc/30/30/42/374303042.db2.gz ZBMDTZWBQXYSCN-OAHLLOKOSA-N 0 3 276.380 2.718 20 30 CFEDHN C=C(C)CN(CC)C(=O)c1ccc(CN(C)C)cc1 ZINC000073418998 374341107 /nfs/dbraw/zinc/34/11/07/374341107.db2.gz KSMCMTRDBRIUAX-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@H]32)s1 ZINC000334148544 206086880 /nfs/dbraw/zinc/08/68/80/206086880.db2.gz GGEZTTQHXUMVFH-SMDDNHRTSA-N 0 3 262.378 2.621 20 30 CFEDHN N#CCc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000076084727 374531034 /nfs/dbraw/zinc/53/10/34/374531034.db2.gz UYFQMPZQYRUHDR-UHFFFAOYSA-N 0 3 298.390 2.501 20 30 CFEDHN CCC[C@]1(C)CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000076145666 374538438 /nfs/dbraw/zinc/53/84/38/374538438.db2.gz UNSPSKWIPAGZFS-GOEBONIOSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000076736128 374557644 /nfs/dbraw/zinc/55/76/44/374557644.db2.gz BETCCVRKZWEZIH-HNNXBMFYSA-N 0 3 274.408 2.632 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1ccccc1C ZINC000077204321 374559673 /nfs/dbraw/zinc/55/96/73/374559673.db2.gz GDDPLXHYXGABTD-QGZVFWFLSA-N 0 3 299.418 2.894 20 30 CFEDHN CCN1CCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000078832719 374571605 /nfs/dbraw/zinc/57/16/05/374571605.db2.gz IFWAQKYYRLPYPZ-LLVKDONJSA-N 0 3 298.312 2.868 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(C#N)cn2C)n1 ZINC000083773406 374756630 /nfs/dbraw/zinc/75/66/30/374756630.db2.gz UNFTVBZMVYXDFS-NSHDSACASA-N 0 3 298.371 2.967 20 30 CFEDHN C[C@H](NCCOC(F)(F)F)c1ccc(C#N)cc1 ZINC000089051669 374863740 /nfs/dbraw/zinc/86/37/40/374863740.db2.gz RRRHQBBSJQQZQD-VIFPVBQESA-N 0 3 258.243 2.745 20 30 CFEDHN C[C@@H](NCc1cc(C#N)ccc1F)C1CCOCC1 ZINC000090117307 374991618 /nfs/dbraw/zinc/99/16/18/374991618.db2.gz WGHWOJVFXQVDRK-LLVKDONJSA-N 0 3 262.328 2.602 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1ccc(Cl)cc1C#N ZINC000092631006 375132364 /nfs/dbraw/zinc/13/23/64/375132364.db2.gz LNVZYEFUYSEAQY-ZDUSSCGKSA-N 0 3 263.772 2.742 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](COCC)C2)cc1 ZINC000093839112 375318963 /nfs/dbraw/zinc/31/89/63/375318963.db2.gz XUWXBYKSPTVBQV-MRXNPFEDSA-N 0 3 273.376 2.557 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H](CO)CC(C)(C)C ZINC000451788840 383708055 /nfs/dbraw/zinc/70/80/55/383708055.db2.gz ZVFXTTIHXUTACK-CQSZACIVSA-N 0 3 278.371 2.926 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000101637967 375647824 /nfs/dbraw/zinc/64/78/24/375647824.db2.gz GPXQHIQWSHRJTQ-ZNMIVQPWSA-N 0 3 299.418 2.778 20 30 CFEDHN CCN(CCCC#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931193 375702248 /nfs/dbraw/zinc/70/22/48/375702248.db2.gz LDRLMGNAVWNKQQ-UHFFFAOYSA-N 0 3 273.380 2.514 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000103499757 375752683 /nfs/dbraw/zinc/75/26/83/375752683.db2.gz WOASEFHFNQRFSP-STQMWFEESA-N 0 3 290.432 2.587 20 30 CFEDHN N#Cc1ccc(Cl)cc1N1CC[C@H](N2CCCC2)C1 ZINC000104177530 375772250 /nfs/dbraw/zinc/77/22/50/375772250.db2.gz DEXYPTASPIKCOT-AWEZNQCLSA-N 0 3 275.783 2.886 20 30 CFEDHN CC(C)[C@@H](C(=O)NCc1cccc(C#N)c1)N1CCCCC1 ZINC000104241567 375776274 /nfs/dbraw/zinc/77/62/74/375776274.db2.gz GCOGIUVTCAVLOQ-KRWDZBQOSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000678714476 542060277 /nfs/dbraw/zinc/06/02/77/542060277.db2.gz CRWZNZFGEAVQOR-CVEARBPZSA-N 0 3 266.429 2.528 20 30 CFEDHN COCC#CCN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000678722056 542061079 /nfs/dbraw/zinc/06/10/79/542061079.db2.gz RVBYCACPFKEBLF-OAHLLOKOSA-N 0 3 297.402 2.701 20 30 CFEDHN COCC#CCN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678722056 542061084 /nfs/dbraw/zinc/06/10/84/542061084.db2.gz RVBYCACPFKEBLF-OAHLLOKOSA-N 0 3 297.402 2.701 20 30 CFEDHN N#CC(C(=O)c1ccc(-c2ncon2)cc1)c1ccccn1 ZINC000107408653 375806178 /nfs/dbraw/zinc/80/61/78/375806178.db2.gz QJAOXCSLVWDNSJ-ZDUSSCGKSA-N 0 3 290.282 2.622 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](OCCC)CC1 ZINC000108396391 375817703 /nfs/dbraw/zinc/81/77/03/375817703.db2.gz XHMYUYNWIGASBJ-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN COCC#CCN[C@@H](C)c1ccc(SCCOC)cc1 ZINC000678765722 542065353 /nfs/dbraw/zinc/06/53/53/542065353.db2.gz ZWUKHWXXMROYBX-AWEZNQCLSA-N 0 3 293.432 2.726 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000640100066 383711320 /nfs/dbraw/zinc/71/13/20/383711320.db2.gz LKBSEWDSJHQYSR-OKZBNKHCSA-N 0 3 269.388 2.664 20 30 CFEDHN Cc1ccc(NC(=O)c2ccc(C#N)nc2)c(CN(C)C)c1 ZINC000115386676 376130236 /nfs/dbraw/zinc/13/02/36/376130236.db2.gz HBRFGLQHZVDVCK-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN Cc1cccc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1C ZINC000115602997 376143259 /nfs/dbraw/zinc/14/32/59/376143259.db2.gz RQILAOTVRLAVME-HUUCEWRRSA-N 0 3 287.407 2.715 20 30 CFEDHN C=CC[C@@H](C)NCc1c(OC)cc(OC)cc1OC ZINC000116926810 376215401 /nfs/dbraw/zinc/21/54/01/376215401.db2.gz OPQKLFAIRLEITF-LLVKDONJSA-N 0 3 265.353 2.767 20 30 CFEDHN C=CC[C@@H](C)NCc1cc(OC)c(OC)cc1OC ZINC000116926641 376216360 /nfs/dbraw/zinc/21/63/60/376216360.db2.gz AICPCKFVSLAPSO-LLVKDONJSA-N 0 3 265.353 2.767 20 30 CFEDHN CCCCCN1CCCN(c2ncccc2C#N)CC1 ZINC000117874493 376263553 /nfs/dbraw/zinc/26/35/53/376263553.db2.gz CXBCMEAOBJFZAY-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN COc1cc(CN(C)CCC(C)(C)C#N)ccc1O ZINC000119598079 376442626 /nfs/dbraw/zinc/44/26/26/376442626.db2.gz RVZQWTHIMOTFCV-UHFFFAOYSA-N 0 3 262.353 2.772 20 30 CFEDHN CC(C)CO[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000119755864 376465076 /nfs/dbraw/zinc/46/50/76/376465076.db2.gz RAEFQCRVEQCRCQ-MRXNPFEDSA-N 0 3 288.391 2.684 20 30 CFEDHN CCN1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000263800083 190079904 /nfs/dbraw/zinc/07/99/04/190079904.db2.gz PWVHPPHXQGNJTE-UHFFFAOYSA-N 0 3 264.760 2.503 20 30 CFEDHN Cn1cc(C2CCN(CCC(C)(C)C#N)CC2)cn1 ZINC000119934681 376508941 /nfs/dbraw/zinc/50/89/41/376508941.db2.gz QNSYHFREIWPZMA-UHFFFAOYSA-N 0 3 260.385 2.539 20 30 CFEDHN C[C@]1(NCc2cccc(OCCCC#N)c2)CCOC1 ZINC000120207728 376567796 /nfs/dbraw/zinc/56/77/96/376567796.db2.gz OASPOVLRRRXDNF-INIZCTEOSA-N 0 3 274.364 2.638 20 30 CFEDHN CCN(CC(=O)Nc1sccc1C#N)[C@@H](C)C(C)C ZINC000120232328 376574956 /nfs/dbraw/zinc/57/49/56/376574956.db2.gz NVUMJMJGEQHLIO-NSHDSACASA-N 0 3 279.409 2.925 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCCOC1 ZINC000120431008 376615662 /nfs/dbraw/zinc/61/56/62/376615662.db2.gz SHSIQFSHFMVBHZ-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN C=C1CCN(CCC(=O)N2CCc3sccc3C2)CC1 ZINC000264455418 190111302 /nfs/dbraw/zinc/11/13/02/190111302.db2.gz IXTHRALXCAZZHY-UHFFFAOYSA-N 0 3 290.432 2.675 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000120520882 376631050 /nfs/dbraw/zinc/63/10/50/376631050.db2.gz BCZJOVPWARSIQY-UPJWGTAASA-N 0 3 271.364 2.758 20 30 CFEDHN CN(C)Cc1ccc(CNC(=O)c2cscc2C#N)cc1 ZINC000432032377 383714656 /nfs/dbraw/zinc/71/46/56/383714656.db2.gz OECFCJOOIBMBTQ-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645515369 383715042 /nfs/dbraw/zinc/71/50/42/383715042.db2.gz AAJKFEVEBYLEOD-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccc(/C=C/C)cc1OC ZINC000121317682 376803293 /nfs/dbraw/zinc/80/32/93/376803293.db2.gz ZZOAMIRPLRBQIX-ZKKXHLJNSA-N 0 3 291.391 2.586 20 30 CFEDHN C=CCC[C@@H](O)CN(C)CCOc1ccc(C)cc1 ZINC000121392105 376820879 /nfs/dbraw/zinc/82/08/79/376820879.db2.gz ANUPQWWKZWWDDS-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN C=CCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121603775 376868745 /nfs/dbraw/zinc/86/87/45/376868745.db2.gz KXBCEWBWOYXRMJ-KRWDZBQOSA-N 0 3 269.392 2.835 20 30 CFEDHN Cn1ccnc1C[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000123767524 376978034 /nfs/dbraw/zinc/97/80/34/376978034.db2.gz VVCFWPREYRPGQL-HNNXBMFYSA-N 0 3 294.402 2.746 20 30 CFEDHN CN(CCn1cccn1)Cc1cccc(OCCCC#N)c1 ZINC000125268872 377136509 /nfs/dbraw/zinc/13/65/09/377136509.db2.gz MTUKMAZRCISDJJ-UHFFFAOYSA-N 0 3 298.390 2.698 20 30 CFEDHN C=C(Cl)CN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000125312203 377139705 /nfs/dbraw/zinc/13/97/05/377139705.db2.gz SUNVTTABWLYIKV-UHFFFAOYSA-N 0 3 294.830 2.747 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000126768238 377247964 /nfs/dbraw/zinc/24/79/64/377247964.db2.gz SPRXYNKSLZQLHS-HUUCEWRRSA-N 0 3 289.375 2.879 20 30 CFEDHN COCCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000127109362 377264435 /nfs/dbraw/zinc/26/44/35/377264435.db2.gz BYIOYFXTSCERAC-UHFFFAOYSA-N 0 3 298.390 2.542 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@H]1CCCO1 ZINC000128028463 377312134 /nfs/dbraw/zinc/31/21/34/377312134.db2.gz ROUCRQAPERHKMB-QGZVFWFLSA-N 0 3 288.391 2.980 20 30 CFEDHN C#CCNC(=O)CCN[C@H](C)c1ccc2ccccc2c1 ZINC000264904452 190143225 /nfs/dbraw/zinc/14/32/25/190143225.db2.gz XBYIJURWDVHDSP-CQSZACIVSA-N 0 3 280.371 2.630 20 30 CFEDHN C#CCCOc1ccc(CNCc2cccc(CO)c2)cc1 ZINC000264946626 190146927 /nfs/dbraw/zinc/14/69/27/190146927.db2.gz IVLQHMCGJBEUQQ-UHFFFAOYSA-N 0 3 295.382 2.871 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1ncccc1C#N ZINC000265002876 190151356 /nfs/dbraw/zinc/15/13/56/190151356.db2.gz VMUVNVLHHWUMDG-AWEZNQCLSA-N 0 3 258.369 2.630 20 30 CFEDHN CN(CCC1CCOCC1)Cc1cc(C#N)cs1 ZINC000129688864 377461384 /nfs/dbraw/zinc/46/13/84/377461384.db2.gz LKFRMXJDKUBMTJ-UHFFFAOYSA-N 0 3 264.394 2.868 20 30 CFEDHN CC(C)C[C@H](CNC(=O)/C=C/c1ccc(C#N)cc1)N(C)C ZINC000265098494 190157543 /nfs/dbraw/zinc/15/75/43/190157543.db2.gz GMGLMGLYIYAEJQ-OAGJVSPASA-N 0 3 299.418 2.664 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000432093938 383721434 /nfs/dbraw/zinc/72/14/34/383721434.db2.gz SJPVCMCAADXTPS-CQSZACIVSA-N 0 3 281.444 2.620 20 30 CFEDHN C=C[C@@H](C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000130445149 377558961 /nfs/dbraw/zinc/55/89/61/377558961.db2.gz MPHJHENZNQXUNX-MRVPVSSYSA-N 0 3 286.169 2.827 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000130496991 377568330 /nfs/dbraw/zinc/56/83/30/377568330.db2.gz HKYTZDFVYQITEJ-KFWWJZLASA-N 0 3 299.418 2.778 20 30 CFEDHN N#Cc1cccc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000265517343 190187722 /nfs/dbraw/zinc/18/77/22/190187722.db2.gz LOQWAVABSISZOB-CQSZACIVSA-N 0 3 282.347 2.795 20 30 CFEDHN N#Cc1ccc(OCCN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000265542728 190188979 /nfs/dbraw/zinc/18/89/79/190188979.db2.gz WYYRWZNTLHZPCW-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN C=CCOCCN[C@@H]1CSCCc2ccccc21 ZINC000679576208 542210342 /nfs/dbraw/zinc/21/03/42/542210342.db2.gz KTWPHZOXMIHLRF-OAHLLOKOSA-N 0 3 263.406 2.809 20 30 CFEDHN CC[C@@H](CC#N)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130988166 377642387 /nfs/dbraw/zinc/64/23/87/377642387.db2.gz BDWTXMQSZOGFTH-KGLIPLIRSA-N 0 3 295.427 2.915 20 30 CFEDHN CCN(CC)[C@@H]1CCN(c2cc(C#N)ccc2C(C)=O)C1 ZINC000131288773 377688905 /nfs/dbraw/zinc/68/89/05/377688905.db2.gz PIVGVXXFWPQHGZ-OAHLLOKOSA-N 0 3 285.391 2.681 20 30 CFEDHN CC(C)(C)[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000131355344 377700717 /nfs/dbraw/zinc/70/07/17/377700717.db2.gz CPTDTRNTIFKUCM-AWEZNQCLSA-N 0 3 285.391 2.865 20 30 CFEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccccc1Cl ZINC000131809070 377761602 /nfs/dbraw/zinc/76/16/02/377761602.db2.gz UJCADQHXWHZGKL-GFCCVEGCSA-N 0 3 293.798 2.753 20 30 CFEDHN CC(C)OCCCN(C)CCOc1ccc(C#N)cc1 ZINC000265901276 190215742 /nfs/dbraw/zinc/21/57/42/190215742.db2.gz UUNHQSCUWMSLNH-UHFFFAOYSA-N 0 3 276.380 2.684 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000432110299 383722613 /nfs/dbraw/zinc/72/26/13/383722613.db2.gz IALXWNQWISBDQO-CHWSQXEVSA-N 0 3 279.428 2.513 20 30 CFEDHN C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000134530279 378027503 /nfs/dbraw/zinc/02/75/03/378027503.db2.gz QKKJIMOGELEHHU-GFCCVEGCSA-N 0 3 289.379 2.734 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000135126910 378086452 /nfs/dbraw/zinc/08/64/52/378086452.db2.gz ORPPMQPSEDUJEY-HNNXBMFYSA-N 0 3 281.359 2.515 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(C#N)CCC1 ZINC000134779887 378049239 /nfs/dbraw/zinc/04/92/39/378049239.db2.gz QPNHIZJQJGNVBJ-UHFFFAOYSA-N 0 3 299.418 2.791 20 30 CFEDHN C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000134798921 378049922 /nfs/dbraw/zinc/04/99/22/378049922.db2.gz HRGCBTLIWZCFKC-CQSZACIVSA-N 0 3 285.391 2.611 20 30 CFEDHN N#CC1(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)CCC1 ZINC000134895360 378060753 /nfs/dbraw/zinc/06/07/53/378060753.db2.gz OTCCJLRFLOLURB-CQSZACIVSA-N 0 3 289.423 2.594 20 30 CFEDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)N(CC)CCC#N ZINC000135325208 378117179 /nfs/dbraw/zinc/11/71/79/378117179.db2.gz ZVBKADSOZJKTSG-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN COc1ccc(CN2C[C@@H]3CCC[C@H]3C2)cc1C#N ZINC000135143601 378089478 /nfs/dbraw/zinc/08/94/78/378089478.db2.gz LNKVGXWAMUTEJM-KBPBESRZSA-N 0 3 256.349 2.799 20 30 CFEDHN C#CCCCCNCc1c(Cl)n(C)nc1CC ZINC000150732294 378268645 /nfs/dbraw/zinc/26/86/45/378268645.db2.gz VYASIGLRLOHXHU-UHFFFAOYSA-N 0 3 253.777 2.529 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCc2c(C)nn(C)c2C)cc1 ZINC000151141525 378300825 /nfs/dbraw/zinc/30/08/25/378300825.db2.gz ZFIZPUBHYDRNMR-ZDUSSCGKSA-N 0 3 297.402 2.900 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CO)Cc1ccccc1 ZINC000152708937 378441640 /nfs/dbraw/zinc/44/16/40/378441640.db2.gz KEBHOWXVQONCAN-GOSISDBHSA-N 0 3 297.398 2.945 20 30 CFEDHN CCN1CCC(NC(=O)Nc2scnc2C2CC2)CC1 ZINC000328951879 378443797 /nfs/dbraw/zinc/44/37/97/378443797.db2.gz XKFUGJOIIGHFKX-UHFFFAOYSA-N 0 3 294.424 2.831 20 30 CFEDHN N#Cc1ccccc1NC(=O)CCN1CCOCC2(CC2)C1 ZINC000329325315 378454651 /nfs/dbraw/zinc/45/46/51/378454651.db2.gz WBRNMTGZPREWRU-UHFFFAOYSA-N 0 3 299.374 2.649 20 30 CFEDHN O=C(Nc1cccc2c1OCO2)C1CCN(C2CC2)CC1 ZINC000328742502 378419401 /nfs/dbraw/zinc/41/94/01/378419401.db2.gz JOQPEUODTYXBOG-UHFFFAOYSA-N 0 3 288.347 2.878 20 30 CFEDHN Cc1nc(CCNC(=O)C2CCN(C3CC3)CC2)c(C)o1 ZINC000328766549 378421990 /nfs/dbraw/zinc/42/19/90/378421990.db2.gz PNZBPIDYYCTPER-UHFFFAOYSA-N 0 3 291.395 2.665 20 30 CFEDHN CC(C)n1cnnc1[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000328793378 378425091 /nfs/dbraw/zinc/42/50/91/378425091.db2.gz CBWQXQYSYPEKGF-RBSFLKMASA-N 0 3 287.411 2.731 20 30 CFEDHN [O-]C(NCCn1ccnc1)=[NH+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328801597 378427626 /nfs/dbraw/zinc/42/76/26/378427626.db2.gz ZIHSRKJAVGHBQR-SOUVJXGZSA-N 0 3 290.411 2.746 20 30 CFEDHN [O-]C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)=[NH+]CCn1ccnc1 ZINC000328801597 378427632 /nfs/dbraw/zinc/42/76/32/378427632.db2.gz ZIHSRKJAVGHBQR-SOUVJXGZSA-N 0 3 290.411 2.746 20 30 CFEDHN N#Cc1cccc(CCNC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000328910390 378439471 /nfs/dbraw/zinc/43/94/71/378439471.db2.gz NJYSAMADDXGUHV-MRXNPFEDSA-N 0 3 283.375 2.684 20 30 CFEDHN CN1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000154078192 378538466 /nfs/dbraw/zinc/53/84/66/378538466.db2.gz HSILVITXZMHKNX-UHFFFAOYSA-N 0 3 283.297 2.719 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000330445191 378557534 /nfs/dbraw/zinc/55/75/34/378557534.db2.gz DEYAAPUABAWSIM-ILXRZTDVSA-N 0 3 278.396 2.732 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000330445192 378558015 /nfs/dbraw/zinc/55/80/15/378558015.db2.gz DEYAAPUABAWSIM-KKUMJFAQSA-N 0 3 278.396 2.732 20 30 CFEDHN O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCCN1C1CCCC1 ZINC000330250638 378528896 /nfs/dbraw/zinc/52/88/96/378528896.db2.gz HHCWSACAALHOEZ-ZNMIVQPWSA-N 0 3 280.412 2.653 20 30 CFEDHN O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC000330250636 378529255 /nfs/dbraw/zinc/52/92/55/378529255.db2.gz HHCWSACAALHOEZ-KKUMJFAQSA-N 0 3 280.412 2.653 20 30 CFEDHN O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000330296200 378532193 /nfs/dbraw/zinc/53/21/93/378532193.db2.gz JYJJARJWSLOODZ-LZWOXQAQSA-N 0 3 292.423 2.677 20 30 CFEDHN COCCN(Cc1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1C ZINC000571816181 383730508 /nfs/dbraw/zinc/73/05/08/383730508.db2.gz RTABSTKKCZKLMX-XJKSGUPXSA-N 0 3 273.380 2.590 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000156145936 378636582 /nfs/dbraw/zinc/63/65/82/378636582.db2.gz BNLWULQXSPFUNE-ZDUSSCGKSA-N 0 3 289.379 2.621 20 30 CFEDHN C=CCOc1cccc(CNCCn2cnnc2C2CC2)c1 ZINC000156246020 378638672 /nfs/dbraw/zinc/63/86/72/378638672.db2.gz OPQLHRKIODLYLB-UHFFFAOYSA-N 0 3 298.390 2.510 20 30 CFEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1C(C)C ZINC000330640831 378593179 /nfs/dbraw/zinc/59/31/79/378593179.db2.gz WWERCMRQGCJNRO-ZDUSSCGKSA-N 0 3 297.362 2.669 20 30 CFEDHN CCCOc1ccccc1NC(=O)NC1CCN(C)CC1 ZINC000330660518 378594009 /nfs/dbraw/zinc/59/40/09/378594009.db2.gz YLHQLXMONOWPAA-UHFFFAOYSA-N 0 3 291.395 2.896 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C#N)oc1C ZINC000330668424 378595756 /nfs/dbraw/zinc/59/57/56/378595756.db2.gz JRZWFAUHCWFWON-LBPRGKRZSA-N 0 3 275.352 2.639 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC(=C)C)C(C)C ZINC000156459621 378640073 /nfs/dbraw/zinc/64/00/73/378640073.db2.gz YCGZBSIBLGENFO-HNNXBMFYSA-N 0 3 279.428 2.560 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000155146421 378613045 /nfs/dbraw/zinc/61/30/45/378613045.db2.gz AXXYZQOZUGTEOB-CQSZACIVSA-N 0 3 254.418 2.918 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(F)c2)n1 ZINC000155402233 378624832 /nfs/dbraw/zinc/62/48/32/378624832.db2.gz YAZDAZZFQSKMKN-NSHDSACASA-N 0 3 275.308 2.837 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CC1CC1 ZINC000157953437 378660770 /nfs/dbraw/zinc/66/07/70/378660770.db2.gz CYAVJKUIHFKQNX-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN COc1ccc(CN[C@@H]2CCCC[C@H]2OC)cc1C#N ZINC000266149695 190235123 /nfs/dbraw/zinc/23/51/23/190235123.db2.gz JZSYHZWLYLBURB-GDBMZVCRSA-N 0 3 274.364 2.614 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cnccc1C#N ZINC000160210690 378756372 /nfs/dbraw/zinc/75/63/72/378756372.db2.gz RFKLXROOYBVGIR-KSSFIOAISA-N 0 3 292.386 2.886 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCC(C)(C)O1 ZINC000160367283 378767136 /nfs/dbraw/zinc/76/71/36/378767136.db2.gz HVIJCYLDUONQEW-HNNXBMFYSA-N 0 3 258.365 2.948 20 30 CFEDHN CC1CCC(O)(CNCc2ccc(C#N)s2)CC1 ZINC000161126842 378824599 /nfs/dbraw/zinc/82/45/99/378824599.db2.gz DLOKANSSPMHUIJ-UHFFFAOYSA-N 0 3 264.394 2.651 20 30 CFEDHN C[C@H]1CSC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000334193697 378908130 /nfs/dbraw/zinc/90/81/30/378908130.db2.gz IPKNNTCCCYEJQH-TVQRCGJNSA-N 0 3 250.342 2.538 20 30 CFEDHN C#CCSCCNCc1ccc(OCC)c(F)c1 ZINC000278529467 194028890 /nfs/dbraw/zinc/02/88/90/194028890.db2.gz RMGSGBLPAPSGBB-UHFFFAOYSA-N 0 3 267.369 2.680 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000163377345 378967557 /nfs/dbraw/zinc/96/75/57/378967557.db2.gz NJCRZIFJIFAGQD-OAHLLOKOSA-N 0 3 299.418 2.717 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cnn(C)c2)cc1 ZINC000163870574 378993412 /nfs/dbraw/zinc/99/34/12/378993412.db2.gz WIISPDNPXUIXDY-UONOGXRCSA-N 0 3 283.375 2.844 20 30 CFEDHN CN(C)CCN(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000164469240 379015226 /nfs/dbraw/zinc/01/52/26/379015226.db2.gz QPAZQEZONPWHGU-UHFFFAOYSA-N 0 3 271.286 2.575 20 30 CFEDHN N#Cc1ccn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000289471199 197363492 /nfs/dbraw/zinc/36/34/92/197363492.db2.gz WYLPIIFPMKNCJK-SFHVURJKSA-N 0 3 295.386 2.651 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 ZINC000278682621 194100037 /nfs/dbraw/zinc/10/00/37/194100037.db2.gz LDSQIPAVSIVSEL-SECBINFHSA-N 0 3 284.816 2.954 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](COC)[C@H]2CCCO2)c1 ZINC000278675490 194097070 /nfs/dbraw/zinc/09/70/70/194097070.db2.gz ONTOZOQUPPBVMC-DLBZAZTESA-N 0 3 291.391 2.535 20 30 CFEDHN C=C(C)COCCN[C@H](CC)c1ccc(F)cn1 ZINC000166164488 379052927 /nfs/dbraw/zinc/05/29/27/379052927.db2.gz FSYIESGIWRIYGI-CYBMUJFWSA-N 0 3 252.333 2.854 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](C3CCOCC3)C2)ccc1F ZINC000335325046 379090936 /nfs/dbraw/zinc/09/09/36/379090936.db2.gz JTKOPVFUYKYOIG-HNNXBMFYSA-N 0 3 288.366 2.946 20 30 CFEDHN CC(C)(C#N)CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000168925846 379101170 /nfs/dbraw/zinc/10/11/70/379101170.db2.gz ZRJKQAZDLJMLSM-INIZCTEOSA-N 0 3 271.408 2.790 20 30 CFEDHN CC[C@H](N[C@H](COC)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000278726801 194124924 /nfs/dbraw/zinc/12/49/24/194124924.db2.gz IWRTVQBYKNUSPU-GVDBMIGSSA-N 0 3 288.391 2.793 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H](C2CCOCC2)C1 ZINC000335330758 379102364 /nfs/dbraw/zinc/10/23/64/379102364.db2.gz LKPDMIMMKCANAZ-KRWDZBQOSA-N 0 3 270.376 2.807 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000335390231 379207689 /nfs/dbraw/zinc/20/76/89/379207689.db2.gz VDNXHDHFPSJOQU-SFYZADRCSA-N 0 3 254.692 2.816 20 30 CFEDHN CC[C@@]1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266586776 190268949 /nfs/dbraw/zinc/26/89/49/190268949.db2.gz KIWVRLITGJGRMV-SFHVURJKSA-N 0 3 299.418 2.687 20 30 CFEDHN C=CCN1CCC(NC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000171740692 379391627 /nfs/dbraw/zinc/39/16/27/379391627.db2.gz BIRPKTMLJXCCKQ-AWEZNQCLSA-N 0 3 299.418 2.798 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(F)ccc2F)CC1 ZINC000171740032 379391704 /nfs/dbraw/zinc/39/17/04/379391704.db2.gz VBFVFTHNCIYUDK-UHFFFAOYSA-N 0 3 295.333 2.737 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000171740787 379392542 /nfs/dbraw/zinc/39/25/42/379392542.db2.gz BYCCTZHWQZEKTG-UHFFFAOYSA-N 0 3 298.390 2.525 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000334470970 379357639 /nfs/dbraw/zinc/35/76/39/379357639.db2.gz GJOWHLQOXRMJMJ-KRWDZBQOSA-N 0 3 270.376 2.951 20 30 CFEDHN CC(=O)c1ccc2c(c1)CCN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000334473214 379360747 /nfs/dbraw/zinc/36/07/47/379360747.db2.gz IYOZHIVFVVJGKB-KSSFIOAISA-N 0 3 282.387 2.982 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000171680261 379369012 /nfs/dbraw/zinc/36/90/12/379369012.db2.gz BVLBTUFHWBTYKZ-UHFFFAOYSA-N 0 3 277.343 2.598 20 30 CFEDHN C#CCCOc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1 ZINC000172113743 379497110 /nfs/dbraw/zinc/49/71/10/379497110.db2.gz ITVQEJPVFWDEEL-CQSZACIVSA-N 0 3 297.402 2.981 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](C3CCOCC3)C2)c1F ZINC000334538457 379483711 /nfs/dbraw/zinc/48/37/11/379483711.db2.gz RCVBPGDIWQBDMM-OAHLLOKOSA-N 0 3 288.366 2.946 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000334567497 379542754 /nfs/dbraw/zinc/54/27/54/379542754.db2.gz WUWGRXMZNPCWAS-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)CCCO1 ZINC000334557683 379522909 /nfs/dbraw/zinc/52/29/09/379522909.db2.gz ORUZQDCNINKJOL-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)CCCO1 ZINC000334557681 379523630 /nfs/dbraw/zinc/52/36/30/379523630.db2.gz ORUZQDCNINKJOL-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](CC)c1cccc(Cl)c1 ZINC000266893678 190287948 /nfs/dbraw/zinc/28/79/48/190287948.db2.gz RPQYHSINCWNMSN-AWEZNQCLSA-N 0 3 278.783 2.520 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1Cc1cc(C#N)cs1 ZINC000334581987 379571425 /nfs/dbraw/zinc/57/14/25/379571425.db2.gz JZBQJLWVUJWMDD-OCCSQVGLSA-N 0 3 275.421 2.678 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000266967209 190294172 /nfs/dbraw/zinc/29/41/72/190294172.db2.gz YOZUOQDFLJLTQL-HNNXBMFYSA-N 0 3 266.348 2.661 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(F)c2Cl)CC1 ZINC000173101724 379695779 /nfs/dbraw/zinc/69/57/79/379695779.db2.gz ZXCBAXSGEKAOBV-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cc(F)c2)CC1 ZINC000173102058 379695924 /nfs/dbraw/zinc/69/59/24/379695924.db2.gz MJUPYFGMFKPUDH-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCCCC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000267224974 190313137 /nfs/dbraw/zinc/31/31/37/190313137.db2.gz UYQXJWJFLJSENU-UHFFFAOYSA-N 0 3 286.419 2.558 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000335659743 379676567 /nfs/dbraw/zinc/67/65/67/379676567.db2.gz QTWIRXJVIYKQKQ-TZMCWYRMSA-N 0 3 262.378 2.621 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000334637561 379679365 /nfs/dbraw/zinc/67/93/65/379679365.db2.gz XBAUFDGYJNSYPM-QGZVFWFLSA-N 0 3 297.402 2.535 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1cccs1 ZINC000267325538 190320982 /nfs/dbraw/zinc/32/09/82/190320982.db2.gz AYWUKJJKHSIYNX-ZDUSSCGKSA-N 0 3 272.377 2.730 20 30 CFEDHN CCN1CCC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000267272408 190316709 /nfs/dbraw/zinc/31/67/09/190316709.db2.gz ZXXDHDZMJTXXTB-JTQLQIEISA-N 0 3 264.760 2.503 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000334730623 379839282 /nfs/dbraw/zinc/83/92/82/379839282.db2.gz KKCHPSXKCWIVII-ZDUSSCGKSA-N 0 3 298.390 2.639 20 30 CFEDHN N#Cc1ccc(CNCC2(c3ccccc3)CC2)o1 ZINC000174259010 379852323 /nfs/dbraw/zinc/85/23/23/379852323.db2.gz VOEVNAWLBVJIOP-UHFFFAOYSA-N 0 3 252.317 2.973 20 30 CFEDHN COc1ccc(CNCc2ccc([C@@H](C)O)cc2)cc1C#N ZINC000174300568 379859548 /nfs/dbraw/zinc/85/95/48/379859548.db2.gz AYAQMAQLGDXZAI-CYBMUJFWSA-N 0 3 296.370 2.910 20 30 CFEDHN CCn1nc(C)c(CNCCOc2ccc(C#N)cc2)c1C ZINC000174560347 379908859 /nfs/dbraw/zinc/90/88/59/379908859.db2.gz XLXOKMVVYIOFIQ-UHFFFAOYSA-N 0 3 298.390 2.560 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)Oc1ccccc1F ZINC000174602214 379917800 /nfs/dbraw/zinc/91/78/00/379917800.db2.gz CDWSTBOEALFTAK-NSHDSACASA-N 0 3 274.295 2.847 20 30 CFEDHN C#Cc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000174784547 379938848 /nfs/dbraw/zinc/93/88/48/379938848.db2.gz PJEDRWMCDMIRBJ-CJNGLKHVSA-N 0 3 285.391 2.614 20 30 CFEDHN N#Cc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1 ZINC000335830880 379961405 /nfs/dbraw/zinc/96/14/05/379961405.db2.gz QDADAAYMSBWSAH-UHFFFAOYSA-N 0 3 297.402 2.506 20 30 CFEDHN Cn1cc(CN2CCC(C3CCOCC3)CC2)cc1C#N ZINC000335831063 379961458 /nfs/dbraw/zinc/96/14/58/379961458.db2.gz CNKORLPJVAWKOW-UHFFFAOYSA-N 0 3 287.407 2.535 20 30 CFEDHN Cc1ccc(CNC(=O)C2CCN(CCCC#N)CC2)cc1 ZINC000175321508 380043480 /nfs/dbraw/zinc/04/34/80/380043480.db2.gz CKZDTDUITPOKLQ-UHFFFAOYSA-N 0 3 299.418 2.627 20 30 CFEDHN C[C@@H]1CC(C)(C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000335260403 380097901 /nfs/dbraw/zinc/09/79/01/380097901.db2.gz HRXQZLBPYMAHNE-GFCCVEGCSA-N 0 3 268.364 2.826 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000335914302 380100064 /nfs/dbraw/zinc/10/00/64/380100064.db2.gz KTDBXAWEROXMHP-SMDDNHRTSA-N 0 3 286.379 2.651 20 30 CFEDHN CC1(C2CCN(Cc3ccc(C#N)cc3)CC2)OCCO1 ZINC000268172315 190382799 /nfs/dbraw/zinc/38/27/99/190382799.db2.gz VDSIYKSRBONZNK-UHFFFAOYSA-N 0 3 286.375 2.533 20 30 CFEDHN C=C(C)CN1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000268280486 190392740 /nfs/dbraw/zinc/39/27/40/190392740.db2.gz PBPGAJHARTXEJK-UHFFFAOYSA-N 0 3 290.407 2.792 20 30 CFEDHN C[C@H](N[C@@H]1CCc2nc[nH]c2C1)c1ccc(C#N)cc1F ZINC000336002512 380221464 /nfs/dbraw/zinc/22/14/64/380221464.db2.gz IJMRVWRYEGXKIG-CMPLNLGQSA-N 0 3 284.338 2.629 20 30 CFEDHN N#Cc1csc(CNCCC(=O)NC2CCCCC2)c1 ZINC000177688734 380368037 /nfs/dbraw/zinc/36/80/37/380368037.db2.gz LDMFVCPHWFPLNW-UHFFFAOYSA-N 0 3 291.420 2.548 20 30 CFEDHN Cc1c(CN[C@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC000336441904 380347595 /nfs/dbraw/zinc/34/75/95/380347595.db2.gz XXSJKGGDSCQCBX-KRWDZBQOSA-N 0 3 280.375 2.767 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000336528461 380418570 /nfs/dbraw/zinc/41/85/70/380418570.db2.gz HKBPYXVUALZTBF-GOEBONIOSA-N 0 3 274.339 2.698 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C=C)CO)cc1Cl ZINC000289435223 197346928 /nfs/dbraw/zinc/34/69/28/197346928.db2.gz ADURQHURQJTRBW-GFCCVEGCSA-N 0 3 267.756 2.541 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCC[C@@H](C4CC4)C3)n2c1 ZINC000336561592 380468868 /nfs/dbraw/zinc/46/88/68/380468868.db2.gz ABVQWOPSIFFFPZ-OAHLLOKOSA-N 0 3 280.375 2.828 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC3(C2)CCCC3)CC1 ZINC000336599995 380527584 /nfs/dbraw/zinc/52/75/84/380527584.db2.gz VZILYRMXHOPYIO-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN C=C(C)CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000336647125 380582851 /nfs/dbraw/zinc/58/28/51/380582851.db2.gz BOKBCMYIHKXVGO-GFCCVEGCSA-N 0 3 288.160 2.787 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c1F ZINC000336615874 380554049 /nfs/dbraw/zinc/55/40/49/380554049.db2.gz JROMCMKIKQJQNG-HOCLYGCPSA-N 0 3 288.366 2.946 20 30 CFEDHN CC(C(=O)Nc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000336623809 380566824 /nfs/dbraw/zinc/56/68/24/380566824.db2.gz JCWGMBUJBJQGHI-LURJTMIESA-N 0 3 260.190 2.834 20 30 CFEDHN C[C@H](NCc1ccc(F)cc1C#N)C1CCOCC1 ZINC000179874314 380589659 /nfs/dbraw/zinc/58/96/59/380589659.db2.gz BPOQDQXBKWRPHV-NSHDSACASA-N 0 3 262.328 2.602 20 30 CFEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000180558149 380676101 /nfs/dbraw/zinc/67/61/01/380676101.db2.gz LRHSQIAPGFQFLV-MRXNPFEDSA-N 0 3 284.363 2.563 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000180907538 380712037 /nfs/dbraw/zinc/71/20/37/380712037.db2.gz SYAMVCMHSUEXNE-OLZOCXBDSA-N 0 3 267.417 2.513 20 30 CFEDHN CC[C@@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000181058593 380732752 /nfs/dbraw/zinc/73/27/52/380732752.db2.gz UUBJFMBIEMEGDH-GDBMZVCRSA-N 0 3 257.381 2.667 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000181117375 380742417 /nfs/dbraw/zinc/74/24/17/380742417.db2.gz GSAFWQOTGGUZNT-CQSZACIVSA-N 0 3 269.433 2.713 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(N2CCCC2=O)cc1 ZINC000181387421 380785601 /nfs/dbraw/zinc/78/56/01/380785601.db2.gz SWCLXNUTJVAGCO-ZDUSSCGKSA-N 0 3 271.364 2.768 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000636249510 383750291 /nfs/dbraw/zinc/75/02/91/383750291.db2.gz KVNQZOGSXREQFH-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C[C@H](NC(=O)c1ccc(C#N)o1)[C@@H](c1ccccc1)N(C)C ZINC000347006809 380871430 /nfs/dbraw/zinc/87/14/30/380871430.db2.gz BPMHSKAETPRQCF-LRDDRELGSA-N 0 3 297.358 2.572 20 30 CFEDHN C[C@H](NCCNC(=O)c1ccccc1)c1cccc(C#N)c1 ZINC000181615260 380843911 /nfs/dbraw/zinc/84/39/11/380843911.db2.gz CTKSIBCLNSWZGE-AWEZNQCLSA-N 0 3 293.370 2.639 20 30 CFEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000353822044 380879047 /nfs/dbraw/zinc/87/90/47/380879047.db2.gz UCJSGBKQABJUPV-MJEQTWJJSA-N 0 3 299.418 2.902 20 30 CFEDHN N#CC1(c2ccccc2)CC(NCC2=CCCOC2)C1 ZINC000367904670 380852767 /nfs/dbraw/zinc/85/27/67/380852767.db2.gz QQBJTWDJOASXBY-UHFFFAOYSA-N 0 3 268.360 2.547 20 30 CFEDHN COCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358561657 380928589 /nfs/dbraw/zinc/92/85/89/380928589.db2.gz GQTXYPHHEIKBKD-GHMZBOCLSA-N 0 3 250.317 2.773 20 30 CFEDHN CCC[C@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000181762332 380888677 /nfs/dbraw/zinc/88/86/77/380888677.db2.gz ZGAAOHJELNTOMM-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2ccc(OC)cc21 ZINC000181766081 380890332 /nfs/dbraw/zinc/89/03/32/380890332.db2.gz DVGBANVYHHRWNL-MRXNPFEDSA-N 0 3 261.365 2.865 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000368033982 380896687 /nfs/dbraw/zinc/89/66/87/380896687.db2.gz IMNIZUDUNKCNIU-ZLKJLUDKSA-N 0 3 276.405 2.913 20 30 CFEDHN N#Cc1ccc(CNCCOC2CCCC2)cc1F ZINC000404145236 380899526 /nfs/dbraw/zinc/89/95/26/380899526.db2.gz OAKOCAQWMVSXRN-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)N(CCN(C)C)C(C)C ZINC000181902379 380931246 /nfs/dbraw/zinc/93/12/46/380931246.db2.gz KKWQMKYPDJFOJX-UHFFFAOYSA-N 0 3 288.395 2.671 20 30 CFEDHN C[C@H](NC[C@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000358551277 380917584 /nfs/dbraw/zinc/91/75/84/380917584.db2.gz AKKYFZRJLAQDAO-WCQYABFASA-N 0 3 262.328 2.775 20 30 CFEDHN C#Cc1ccc(CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000295535768 380924896 /nfs/dbraw/zinc/92/48/96/380924896.db2.gz RRWDXWROZINDQK-QLFBSQMISA-N 0 3 284.403 2.545 20 30 CFEDHN C[C@H](C[C@H](C)O)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000341311492 380924823 /nfs/dbraw/zinc/92/48/23/380924823.db2.gz WSLFLRCDRFJTEQ-OUAUKWLOSA-N 0 3 250.317 2.507 20 30 CFEDHN Cn1cncc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353910850 380949406 /nfs/dbraw/zinc/94/94/06/380949406.db2.gz AGNJVNMATRVZGI-INIZCTEOSA-N 0 3 268.364 2.945 20 30 CFEDHN CC#CCN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181980584 380955540 /nfs/dbraw/zinc/95/55/40/380955540.db2.gz AJUMBRQJQGHWFY-INIZCTEOSA-N 0 3 259.349 2.768 20 30 CFEDHN C[C@H](NC[C@H](O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000358594790 380956954 /nfs/dbraw/zinc/95/69/54/380956954.db2.gz UGCPUEKLDBCNHN-HZMBPMFUSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@@H](NCC(C)(C)CCO)c1ccc(C#N)cc1F ZINC000358566164 380932817 /nfs/dbraw/zinc/93/28/17/380932817.db2.gz IMCLZYXQTRPTRZ-LLVKDONJSA-N 0 3 264.344 2.757 20 30 CFEDHN C[C@H](Cn1ccnc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358569933 380936383 /nfs/dbraw/zinc/93/63/83/380936383.db2.gz MSPQBONMESBRQY-VXGBXAGGSA-N 0 3 272.327 2.633 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)cc1F ZINC000358569170 380937780 /nfs/dbraw/zinc/93/77/80/380937780.db2.gz LUINBYHUHUGMOS-CIISACIHSA-N 0 3 274.339 2.915 20 30 CFEDHN C=CCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288235552 381009812 /nfs/dbraw/zinc/00/98/12/381009812.db2.gz SVEQHFZJFAAEQF-ZBFHGGJFSA-N 0 3 289.423 2.895 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)C[C@@H]1CCCO1 ZINC000411171846 381012890 /nfs/dbraw/zinc/01/28/90/381012890.db2.gz JNKWSSRENYZIKI-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000182187737 381015098 /nfs/dbraw/zinc/01/50/98/381015098.db2.gz PISBMXHXMFBIRP-UHFFFAOYSA-N 0 3 274.408 2.831 20 30 CFEDHN CC(CCN(C)C[C@H](C)C#N)CCN(C)C[C@H](C)C#N ZINC000411225822 381018718 /nfs/dbraw/zinc/01/87/18/381018718.db2.gz MEZHXXGYSZIYHG-HZPDHXFCSA-N 0 3 278.444 2.586 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(CCC)CCc1cccc(F)c1 ZINC000411268165 381021438 /nfs/dbraw/zinc/02/14/38/381021438.db2.gz MFYXVOSPFYEAJW-CQSZACIVSA-N 0 3 292.398 2.771 20 30 CFEDHN C=C(C)[C@H](NC(=O)C(C)C#N)c1ccc(F)c(F)c1 ZINC000358654089 380993539 /nfs/dbraw/zinc/99/35/39/380993539.db2.gz IUPFROJNZDLAQT-RNCFNFMXSA-N 0 3 264.275 2.858 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@]2(C1)OCc1ccccc12 ZINC000411540989 381031079 /nfs/dbraw/zinc/03/10/79/381031079.db2.gz GIZPRUAIUFBIMP-XJKSGUPXSA-N 0 3 256.349 2.810 20 30 CFEDHN C=CCCN(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000341421721 381008079 /nfs/dbraw/zinc/00/80/79/381008079.db2.gz HTRRZVKWGHDTHQ-UHFFFAOYSA-N 0 3 291.395 2.667 20 30 CFEDHN COCC1(C)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000358742497 381049430 /nfs/dbraw/zinc/04/94/30/381049430.db2.gz FOTQTRQZJCCPBN-UHFFFAOYSA-N 0 3 288.391 2.686 20 30 CFEDHN C=C(CC)CNC(C)(C)C(=O)NCC1CCCC1 ZINC000358751830 381056058 /nfs/dbraw/zinc/05/60/58/381056058.db2.gz OQYZIXOMNDKTHD-UHFFFAOYSA-N 0 3 252.402 2.627 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1csc(COC)n1 ZINC000289605143 381064339 /nfs/dbraw/zinc/06/43/39/381064339.db2.gz CVFQQBNIPFKGSI-MNOVXSKESA-N 0 3 254.399 2.980 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1cccc(C#N)c1F)C1CC1 ZINC000411962822 381072662 /nfs/dbraw/zinc/07/26/62/381072662.db2.gz BQFXWHZXSHEHJN-BDJLRTHQSA-N 0 3 276.355 2.991 20 30 CFEDHN COc1ccccc1CNCCc1cccc(C#N)c1 ZINC000341474467 381035125 /nfs/dbraw/zinc/03/51/25/381035125.db2.gz FIHFYIURYZFXDP-UHFFFAOYSA-N 0 3 266.344 2.899 20 30 CFEDHN CC[C@@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000182264089 381043722 /nfs/dbraw/zinc/04/37/22/381043722.db2.gz MIUVJDRXXCNNCL-HZPDHXFCSA-N 0 3 261.340 2.724 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000341576833 381096769 /nfs/dbraw/zinc/09/67/69/381096769.db2.gz UUBGTNXNMUNAHT-CYBMUJFWSA-N 0 3 279.380 2.683 20 30 CFEDHN C#C[C@H](C)NCc1cccc(OCC(F)(F)F)c1 ZINC000289679878 381098635 /nfs/dbraw/zinc/09/86/35/381098635.db2.gz ZPDUUPLPVVMYDG-JTQLQIEISA-N 0 3 257.255 2.739 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OCCCC)c(OCC)c1 ZINC000289676726 381098728 /nfs/dbraw/zinc/09/87/28/381098728.db2.gz CEPBSRRBTYXJEK-OAHLLOKOSA-N 0 3 293.407 2.901 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](CC)C(C)(C)C)CC1 ZINC000358818038 381101345 /nfs/dbraw/zinc/10/13/45/381101345.db2.gz NQFFJQIFHTZBDZ-CQSZACIVSA-N 0 3 281.444 2.761 20 30 CFEDHN COCC[C@H]1CCCCN(Cc2ccc(C#N)o2)C1 ZINC000368658658 381101562 /nfs/dbraw/zinc/10/15/62/381101562.db2.gz KATIFVUCYGKENP-CYBMUJFWSA-N 0 3 262.353 2.790 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000295887431 381138535 /nfs/dbraw/zinc/13/85/35/381138535.db2.gz DJMZJKGUYKQSHZ-KSZLIROESA-N 0 3 281.399 2.975 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000289778631 381152779 /nfs/dbraw/zinc/15/27/79/381152779.db2.gz MOFOIDDTLPFHGU-JQWIXIFHSA-N 0 3 267.394 2.615 20 30 CFEDHN COC(=O)[C@]1(C)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000412060751 381133316 /nfs/dbraw/zinc/13/33/16/381133316.db2.gz GVQJRLRZXGBSBZ-CXAGYDPISA-N 0 3 286.375 2.894 20 30 CFEDHN COC(=O)[C@]1(C)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000412060854 381133513 /nfs/dbraw/zinc/13/35/13/381133513.db2.gz GVQJRLRZXGBSBZ-SUMWQHHRSA-N 0 3 286.375 2.894 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000182881344 381177557 /nfs/dbraw/zinc/17/75/57/381177557.db2.gz YRGDUIYHUJHZIS-KSSFIOAISA-N 0 3 299.418 2.763 20 30 CFEDHN CC(C)[C@@H](C(=O)NCC#Cc1ccccc1)N1CCCCC1 ZINC000354289385 381186545 /nfs/dbraw/zinc/18/65/45/381186545.db2.gz JNERUMJVJDWMLL-SFHVURJKSA-N 0 3 298.430 2.665 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000341792507 381194830 /nfs/dbraw/zinc/19/48/30/381194830.db2.gz JGAZZTKQXOSVRY-NSHDSACASA-N 0 3 259.353 2.663 20 30 CFEDHN Cc1cnn(CCN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000341838442 381198163 /nfs/dbraw/zinc/19/81/63/381198163.db2.gz ZEWWERRHNZDAJI-UHFFFAOYSA-N 0 3 280.375 2.728 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000342065809 381209126 /nfs/dbraw/zinc/20/91/26/381209126.db2.gz ZPGFCJZQVFSMAM-KFWWJZLASA-N 0 3 266.429 2.968 20 30 CFEDHN Cc1nnc(CCN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000289902090 381209734 /nfs/dbraw/zinc/20/97/34/381209734.db2.gz TZVGQKKYVHNEDG-JTQLQIEISA-N 0 3 272.377 2.612 20 30 CFEDHN C=CCOCCCN1CCCC[C@H]1c1cnn(C)c1 ZINC000342131341 381211996 /nfs/dbraw/zinc/21/19/96/381211996.db2.gz OLBQTSLFWVFDMJ-HNNXBMFYSA-N 0 3 263.385 2.540 20 30 CFEDHN COCCN(CCCSCC#N)Cc1cccs1 ZINC000342151959 381214692 /nfs/dbraw/zinc/21/46/92/381214692.db2.gz OWKWPHLHXNAFOT-UHFFFAOYSA-N 0 3 284.450 2.843 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000342224127 381222134 /nfs/dbraw/zinc/22/21/34/381222134.db2.gz MVIHVPHNHWFZOA-OLZOCXBDSA-N 0 3 253.292 2.995 20 30 CFEDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279402781 194418494 /nfs/dbraw/zinc/41/84/94/194418494.db2.gz ZRJXOTFQYBDJKI-GXFFZTMASA-N 0 3 291.782 2.928 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1cc(Br)cs1 ZINC000289952044 381232773 /nfs/dbraw/zinc/23/27/73/381232773.db2.gz WLNPLJHLVUOIAW-CBAPKCEASA-N 0 3 276.199 2.708 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)cc(C)c1F ZINC000354400901 381245539 /nfs/dbraw/zinc/24/55/39/381245539.db2.gz GEHNBJJRSYMZBZ-GFCCVEGCSA-N 0 3 269.279 2.723 20 30 CFEDHN Cc1c[nH]nc1CNCCSCc1ccccc1C#N ZINC000289984458 381249248 /nfs/dbraw/zinc/24/92/48/381249248.db2.gz RYDUIPRSQHIWCL-UHFFFAOYSA-N 0 3 286.404 2.613 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)s1 ZINC000289986105 381249375 /nfs/dbraw/zinc/24/93/75/381249375.db2.gz XFNOMSRGKVNGSC-IRXDYDNUSA-N 0 3 298.411 2.876 20 30 CFEDHN CC(=O)NCC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000347683690 381297062 /nfs/dbraw/zinc/29/70/62/381297062.db2.gz YDGWIYYOMQGCOE-HOCLYGCPSA-N 0 3 299.418 2.857 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@H](CO)C[C@@H]2C)cc1 ZINC000290057024 381282372 /nfs/dbraw/zinc/28/23/72/381282372.db2.gz DZVAXCPLIHYOIT-RDJZCZTQSA-N 0 3 287.403 2.682 20 30 CFEDHN CCn1cc([C@H](C)NCCOc2ccccc2C#N)cn1 ZINC000296273123 381328476 /nfs/dbraw/zinc/32/84/76/381328476.db2.gz YJHXAXDTCQLEMS-ZDUSSCGKSA-N 0 3 284.363 2.504 20 30 CFEDHN CCN(CC)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000183902774 381338448 /nfs/dbraw/zinc/33/84/48/381338448.db2.gz LAVJOTJCSSWTCL-UHFFFAOYSA-N 0 3 293.455 2.943 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H]2OCC[C@H]2C1 ZINC000369655742 381307032 /nfs/dbraw/zinc/30/70/32/381307032.db2.gz PHSYVNFJAPBEQQ-VBNZEHGJSA-N 0 3 256.349 2.730 20 30 CFEDHN Cc1cccc([C@@H](C)NCCC(=O)N(C)CCC#N)c1C ZINC000183735390 381313265 /nfs/dbraw/zinc/31/32/65/381313265.db2.gz GCJMLQOPUQNROW-OAHLLOKOSA-N 0 3 287.407 2.716 20 30 CFEDHN N#CC(C(=O)c1ccc2c(c1)CCC=C2)c1ccncn1 ZINC000342463394 381344197 /nfs/dbraw/zinc/34/41/97/381344197.db2.gz PIKZAMZFWPINLT-HNNXBMFYSA-N 0 3 275.311 2.926 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2COc3ccccc32)c(F)c1 ZINC000342463055 381344367 /nfs/dbraw/zinc/34/43/67/381344367.db2.gz ZDYNZDUVMMDLOB-AWEZNQCLSA-N 0 3 282.318 2.963 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nccn1CC ZINC000296331533 381349442 /nfs/dbraw/zinc/34/94/42/381349442.db2.gz GHUKQXFCVYRZIZ-IHRRRGAJSA-N 0 3 263.385 2.535 20 30 CFEDHN COc1cc(CN2CCCO[C@@H]3CCC[C@H]32)ccc1C#N ZINC000370149098 381393111 /nfs/dbraw/zinc/39/31/11/381393111.db2.gz FBFACKDDSMSXKJ-HZPDHXFCSA-N 0 3 286.375 2.710 20 30 CFEDHN C[C@H]1COCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000370183100 381399218 /nfs/dbraw/zinc/39/92/18/381399218.db2.gz KBSUBWCBLYGYQC-OAHLLOKOSA-N 0 3 288.391 2.837 20 30 CFEDHN CC(C)C[C@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000354684019 381403167 /nfs/dbraw/zinc/40/31/67/381403167.db2.gz MSXWZMNALCQKJI-QGZVFWFLSA-N 0 3 299.418 2.685 20 30 CFEDHN COCC1(C)CCN(Cc2cc(C#N)cs2)CC1 ZINC000354752709 381436749 /nfs/dbraw/zinc/43/67/49/381436749.db2.gz UGLNRFLYWPRBRV-UHFFFAOYSA-N 0 3 264.394 2.868 20 30 CFEDHN Cn1cc(CCN2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000347976170 381440712 /nfs/dbraw/zinc/44/07/12/381440712.db2.gz XEKFBXVFZGNZTE-UHFFFAOYSA-N 0 3 292.386 2.624 20 30 CFEDHN C[C@@H](CC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348248372 381476858 /nfs/dbraw/zinc/47/68/58/381476858.db2.gz UZHSQUYIAQFVKF-BLLLJJGKSA-N 0 3 281.359 2.545 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348285017 381477873 /nfs/dbraw/zinc/47/78/73/381477873.db2.gz PZFXFJQIGHLSOT-GARJFASQSA-N 0 3 251.292 2.586 20 30 CFEDHN C=CCOCCCN1CCO[C@H](C2CCCCC2)C1 ZINC000348036277 381454446 /nfs/dbraw/zinc/45/44/46/381454446.db2.gz QPXXGDFBLBATII-INIZCTEOSA-N 0 3 267.413 2.860 20 30 CFEDHN C=CCOCCCN1CCN(Cc2cccc(F)c2)CC1 ZINC000348030862 381454500 /nfs/dbraw/zinc/45/45/00/381454500.db2.gz JHVYNVRMYAQVAG-UHFFFAOYSA-N 0 3 292.398 2.536 20 30 CFEDHN C#Cc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1 ZINC000290504572 381456510 /nfs/dbraw/zinc/45/65/10/381456510.db2.gz WSZJVPSDEMSWRB-LBPRGKRZSA-N 0 3 253.349 2.561 20 30 CFEDHN OCC[C@@H]1CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000348153868 381465645 /nfs/dbraw/zinc/46/56/45/381465645.db2.gz UVIUWUWPABBPHG-GOEBONIOSA-N 0 3 277.795 2.832 20 30 CFEDHN CC[C@@H](NCc1cccc(C#N)c1F)[C@@H]1CCCO1 ZINC000348333077 381513174 /nfs/dbraw/zinc/51/31/74/381513174.db2.gz BRVOGFJSJBSTTP-KGLIPLIRSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H](CNc1cccnc1C#N)N(C)Cc1ccccc1 ZINC000290661225 381513318 /nfs/dbraw/zinc/51/33/18/381513318.db2.gz PYGCMTZVMCATPW-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C=CCCN(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000342717385 381495969 /nfs/dbraw/zinc/49/59/69/381495969.db2.gz FNVYFBHPKBESKW-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000348311007 381497663 /nfs/dbraw/zinc/49/76/63/381497663.db2.gz YJURRQXMBNFRLF-HZPDHXFCSA-N 0 3 286.419 2.783 20 30 CFEDHN C=CCNC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000296666573 381498877 /nfs/dbraw/zinc/49/88/77/381498877.db2.gz KLIKZYUHHRBYJA-FMKPAKJESA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000342722749 381500598 /nfs/dbraw/zinc/50/05/98/381500598.db2.gz OZCZHBWOOYOQLK-BFHYXJOUSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348380654 381541700 /nfs/dbraw/zinc/54/17/00/381541700.db2.gz KYDCERXKAAZARA-CRAIPNDOSA-N 0 3 299.418 2.909 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000370975863 381528453 /nfs/dbraw/zinc/52/84/53/381528453.db2.gz HHDKXGDJUIVSEK-OCCSQVGLSA-N 0 3 288.391 2.783 20 30 CFEDHN CCN1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000413022917 381533680 /nfs/dbraw/zinc/53/36/80/381533680.db2.gz HBECTRYKMHIRDI-CYBMUJFWSA-N 0 3 288.351 2.671 20 30 CFEDHN C=CCC[C@H](CC)NCc1ccccc1S(C)(=O)=O ZINC000414236668 381572713 /nfs/dbraw/zinc/57/27/13/381572713.db2.gz LAVZLPDZWFMPRP-AWEZNQCLSA-N 0 3 281.421 2.925 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414243114 381573211 /nfs/dbraw/zinc/57/32/11/381573211.db2.gz QVQKPDJIPCLRAP-OLZOCXBDSA-N 0 3 281.421 2.780 20 30 CFEDHN N#Cc1c(Cl)cccc1N1CC[C@H](N2CC=CC2)C1 ZINC000297269508 381554488 /nfs/dbraw/zinc/55/44/88/381554488.db2.gz WRGLLHVROZTQHT-LBPRGKRZSA-N 0 3 273.767 2.662 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccn(C)n1)C(C)C ZINC000414074106 381559481 /nfs/dbraw/zinc/55/94/81/381559481.db2.gz WRKFUUIYPQWHTK-WBVHZDCISA-N 0 3 290.455 2.769 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)o1 ZINC000185196209 381560184 /nfs/dbraw/zinc/56/01/84/381560184.db2.gz IUHDOQHNDPLLLM-CABCVRRESA-N 0 3 262.353 2.835 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000414108430 381562066 /nfs/dbraw/zinc/56/20/66/381562066.db2.gz LRTMPLXGVGGVDU-UKRRQHHQSA-N 0 3 292.810 2.868 20 30 CFEDHN Cc1nc(N[C@@H]2CCN3CCCC[C@H]23)c(Cl)cc1C#N ZINC000290926796 381599631 /nfs/dbraw/zinc/59/96/31/381599631.db2.gz INAZHODYNJGHPO-ZIAGYGMSSA-N 0 3 290.798 2.954 20 30 CFEDHN COc1ccc(CN2CC[C@@H]3CCC[C@@H]32)cc1C#N ZINC000355096560 381608065 /nfs/dbraw/zinc/60/80/65/381608065.db2.gz CKKGTGLIYKTXLB-ZFWWWQNUSA-N 0 3 256.349 2.941 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](n2cc(C)cn2)C1 ZINC000290908496 381594412 /nfs/dbraw/zinc/59/44/12/381594412.db2.gz MULOBMSCBKBUEV-QGZVFWFLSA-N 0 3 295.386 2.651 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000414579949 381594864 /nfs/dbraw/zinc/59/48/64/381594864.db2.gz QHEZHDPWSIJRQE-HOCLYGCPSA-N 0 3 275.392 2.844 20 30 CFEDHN C[C@@H]1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348504860 381597386 /nfs/dbraw/zinc/59/73/86/381597386.db2.gz CUBUJASFDWHZJY-DAXOMENPSA-N 0 3 281.359 2.545 20 30 CFEDHN COc1ccc(C[C@H](C)CNC[C@@H](C)C#N)cc1F ZINC000185323967 381597525 /nfs/dbraw/zinc/59/75/25/381597525.db2.gz UEXYKAZVOIUOTJ-RYUDHWBXSA-N 0 3 264.344 2.762 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000298430614 381622539 /nfs/dbraw/zinc/62/25/39/381622539.db2.gz QCWBJNGTEKAASK-UHFFFAOYSA-N 0 3 282.746 2.763 20 30 CFEDHN C[C@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(N)=O ZINC000359892520 381663186 /nfs/dbraw/zinc/66/31/86/381663186.db2.gz HVBLOFOASFSLBK-STQMWFEESA-N 0 3 293.370 2.750 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@@H]2CCN(C3CC3)C2)c1C#N ZINC000343443904 381714896 /nfs/dbraw/zinc/71/48/96/381714896.db2.gz VICFLZATBAIMQX-GFCCVEGCSA-N 0 3 290.798 2.588 20 30 CFEDHN Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000359920450 381678726 /nfs/dbraw/zinc/67/87/26/381678726.db2.gz ZUHDHZLHWQJAPM-ZDUSSCGKSA-N 0 3 296.286 2.544 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000343391684 381683562 /nfs/dbraw/zinc/68/35/62/381683562.db2.gz FDBMESRRDNQEGI-LSDHHAIUSA-N 0 3 285.372 2.635 20 30 CFEDHN Cc1cc(CN[C@@H]2CCO[C@@H]2c2cccnc2)ccc1C#N ZINC000343397413 381686417 /nfs/dbraw/zinc/68/64/17/381686417.db2.gz WLSPWRYRSQJOEC-QZTJIDSGSA-N 0 3 293.370 2.882 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(SCC)c1 ZINC000185626953 381687451 /nfs/dbraw/zinc/68/74/51/381687451.db2.gz TUFVIEFQEXFATR-ZDUSSCGKSA-N 0 3 251.395 2.825 20 30 CFEDHN C[C@@H](C(=O)NCCN1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000360013973 381727767 /nfs/dbraw/zinc/72/77/67/381727767.db2.gz CZFFTZJHHLLGCH-HUUCEWRRSA-N 0 3 299.418 2.652 20 30 CFEDHN COc1cc(CN(C(C)C)[C@H]2CCOC2)ccc1C#N ZINC000291324902 381748054 /nfs/dbraw/zinc/74/80/54/381748054.db2.gz TXFLSILWBFDKCR-HNNXBMFYSA-N 0 3 274.364 2.566 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC000355319391 381749937 /nfs/dbraw/zinc/74/99/37/381749937.db2.gz RAYQOYWWTJXZTA-UKRRQHHQSA-N 0 3 293.374 2.596 20 30 CFEDHN C=CCOCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000359999882 381719543 /nfs/dbraw/zinc/71/95/43/381719543.db2.gz PPMZSQMRXNAVMX-HNNXBMFYSA-N 0 3 277.364 2.701 20 30 CFEDHN CCC[C@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000343538823 381782315 /nfs/dbraw/zinc/78/23/15/381782315.db2.gz WBISBLKERQDTMC-WBVHZDCISA-N 0 3 299.418 2.659 20 30 CFEDHN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)C(C)C#N ZINC000360721390 381788117 /nfs/dbraw/zinc/78/81/17/381788117.db2.gz KUDAHQBNRMRYEH-RISCZKNCSA-N 0 3 260.337 2.764 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1C(C)(C)C ZINC000355357472 381763471 /nfs/dbraw/zinc/76/34/71/381763471.db2.gz VCKOUWCTMHKWAK-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN Cc1ccnc(NC[C@H](C)N2CCCC[C@H]2C)c1C#N ZINC000343512949 381763704 /nfs/dbraw/zinc/76/37/04/381763704.db2.gz PMVFBSLHNKGENF-KGLIPLIRSA-N 0 3 272.396 2.937 20 30 CFEDHN COc1ccc(CN2CCCO[C@@H]3CCC[C@@H]32)cc1C#N ZINC000372170961 381767059 /nfs/dbraw/zinc/76/70/59/381767059.db2.gz WULZOWYWUCLWDT-DOTOQJQBSA-N 0 3 286.375 2.710 20 30 CFEDHN COc1ccc(CN2CCCO[C@@H]3CCC[C@H]32)cc1C#N ZINC000372170962 381767655 /nfs/dbraw/zinc/76/76/55/381767655.db2.gz WULZOWYWUCLWDT-NVXWUHKLSA-N 0 3 286.375 2.710 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000360256549 381773406 /nfs/dbraw/zinc/77/34/06/381773406.db2.gz LWJWAOJDKQBEEV-YUELXQCFSA-N 0 3 286.375 2.851 20 30 CFEDHN CCn1cc([C@@H](C)NCCc2cccc(C#N)c2)cn1 ZINC000343527076 381774632 /nfs/dbraw/zinc/77/46/32/381774632.db2.gz ZYLIMJFFJCKDHF-CYBMUJFWSA-N 0 3 268.364 2.668 20 30 CFEDHN C=CCOc1cccc(CNCCN2CC=CCC2)c1 ZINC000355538960 381780740 /nfs/dbraw/zinc/78/07/40/381780740.db2.gz WBXUJEKTTNYQSJ-UHFFFAOYSA-N 0 3 272.392 2.603 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@](C)(OC)CC1 ZINC000361426388 381829951 /nfs/dbraw/zinc/82/99/51/381829951.db2.gz RTMZGHPNKFYMNH-WBVHZDCISA-N 0 3 296.455 2.691 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CCCN(C)[C@H]2C)c1C#N ZINC000343599752 381830287 /nfs/dbraw/zinc/83/02/87/381830287.db2.gz PEFHENSSSGSWOB-GWCFXTLKSA-N 0 3 278.787 2.810 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@](C)(OC)CC1 ZINC000361426387 381830926 /nfs/dbraw/zinc/83/09/26/381830926.db2.gz RTMZGHPNKFYMNH-RDJZCZTQSA-N 0 3 296.455 2.691 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361465622 381832502 /nfs/dbraw/zinc/83/25/02/381832502.db2.gz DKAOHSUAIXXURZ-CZUORRHYSA-N 0 3 279.428 2.551 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361550510 381841555 /nfs/dbraw/zinc/84/15/55/381841555.db2.gz RPOPYGKAEDEFST-UONOGXRCSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361547122 381843007 /nfs/dbraw/zinc/84/30/07/381843007.db2.gz DUGVQEMGBPOMAP-UONOGXRCSA-N 0 3 279.428 2.505 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355786072 381804895 /nfs/dbraw/zinc/80/48/95/381804895.db2.gz RSZAIEIEOMCGKM-QLFBSQMISA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186052632 381813172 /nfs/dbraw/zinc/81/31/72/381813172.db2.gz MRIPMMGLKAZBIX-ZIAGYGMSSA-N 0 3 281.421 2.711 20 30 CFEDHN CCN(C[C@H](O)COC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000299068794 381814823 /nfs/dbraw/zinc/81/48/23/381814823.db2.gz AXSBKTGSHGJLBP-PBHICJAKSA-N 0 3 290.407 2.727 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361260471 381816657 /nfs/dbraw/zinc/81/66/57/381816657.db2.gz GMHDHEQQXADTOU-HNNXBMFYSA-N 0 3 291.391 2.669 20 30 CFEDHN C=CCN(CCCOc1ccccc1C)CCOC ZINC000361995294 381878415 /nfs/dbraw/zinc/87/84/15/381878415.db2.gz CRXQARGKUPBJCD-UHFFFAOYSA-N 0 3 263.381 2.898 20 30 CFEDHN CC#CCCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372849107 381880386 /nfs/dbraw/zinc/88/03/86/381880386.db2.gz TVOMRYODCXRUOV-CRAIPNDOSA-N 0 3 299.418 2.789 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000362037435 381880911 /nfs/dbraw/zinc/88/09/11/381880911.db2.gz IAOLOMYUYHNTLL-RVMXOQNASA-N 0 3 254.761 2.568 20 30 CFEDHN C=CC[C@H](C)NC(=O)CCN1CCc2ccccc2C1 ZINC000416165651 381881501 /nfs/dbraw/zinc/88/15/01/381881501.db2.gz HDUUIVBEBDCLHR-AWEZNQCLSA-N 0 3 272.392 2.516 20 30 CFEDHN CC[C@H]1CN(Cc2ccc(C#N)c(C)c2)CCCO1 ZINC000343687362 381887528 /nfs/dbraw/zinc/88/75/28/381887528.db2.gz YDDDOMYVCYQECZ-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CCN(CCC#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416234239 381883644 /nfs/dbraw/zinc/88/36/44/381883644.db2.gz MVUDSUDTGHLATH-MRXNPFEDSA-N 0 3 285.391 2.608 20 30 CFEDHN CN1CCC[C@]2(CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000292870014 381875073 /nfs/dbraw/zinc/87/50/73/381875073.db2.gz SXVZXUJSLDTONI-INIZCTEOSA-N 0 3 273.355 2.619 20 30 CFEDHN CCCCN(CCCO)Cc1cc(C#N)cs1 ZINC000349347807 381900459 /nfs/dbraw/zinc/90/04/59/381900459.db2.gz MIAFTTPHFOYFQJ-UHFFFAOYSA-N 0 3 252.383 2.604 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(OC)ccc1F ZINC000292938144 381912926 /nfs/dbraw/zinc/91/29/26/381912926.db2.gz BXWYASBGHPBNKL-MLGOLLRUSA-N 0 3 279.355 2.905 20 30 CFEDHN C=CCOCCCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343736021 381915196 /nfs/dbraw/zinc/91/51/96/381915196.db2.gz HGWQAHSZSQKJSZ-HZPDHXFCSA-N 0 3 279.355 2.526 20 30 CFEDHN Cc1csc(CN[C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)n1 ZINC000372921980 381890257 /nfs/dbraw/zinc/89/02/57/381890257.db2.gz AFNYWSBEFKLBCP-FQUUOJAGSA-N 0 3 291.420 2.781 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000343779249 381936628 /nfs/dbraw/zinc/93/66/28/381936628.db2.gz ZLOVFQZIMWPCRP-MQYQWHSLSA-N 0 3 252.402 2.719 20 30 CFEDHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000373223790 381953627 /nfs/dbraw/zinc/95/36/27/381953627.db2.gz LFCAKSITZIATTI-XNISGKROSA-N 0 3 289.379 2.621 20 30 CFEDHN CC(C)[C@H](NCc1cc(C#N)ccc1F)C1(CO)CCC1 ZINC000293116990 381996107 /nfs/dbraw/zinc/99/61/07/381996107.db2.gz RFPHTRXTNDWEGW-INIZCTEOSA-N 0 3 290.382 2.974 20 30 CFEDHN C[C@@H]1OCC[C@@]12CN(CCCCC(C)(C)C#N)CCO2 ZINC000373406148 381997060 /nfs/dbraw/zinc/99/70/60/381997060.db2.gz QGZQJNOIFYHJNP-GOEBONIOSA-N 0 3 280.412 2.586 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000350050679 382003613 /nfs/dbraw/zinc/00/36/13/382003613.db2.gz DSUQRQFVOJYEAL-XJKSGUPXSA-N 0 3 279.428 2.553 20 30 CFEDHN CN(CCCC(C)(C)C#N)CC(=O)NCc1cccs1 ZINC000350069756 382004003 /nfs/dbraw/zinc/00/40/03/382004003.db2.gz GQQPRWXNIGYWFS-UHFFFAOYSA-N 0 3 293.436 2.626 20 30 CFEDHN Cc1nn(-c2ccccc2)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000349814743 381992923 /nfs/dbraw/zinc/99/29/23/381992923.db2.gz WBSSHAHNUGDUQY-GOEBONIOSA-N 0 3 280.375 2.963 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000351593208 382045855 /nfs/dbraw/zinc/04/58/55/382045855.db2.gz BSNGTRMOGUHZOC-NVXWUHKLSA-N 0 3 275.392 2.857 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H]1CCCCN1CC ZINC000351683914 382054920 /nfs/dbraw/zinc/05/49/20/382054920.db2.gz GDJGXHMQCXMSSW-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN CC(C)(C#N)CCCCN1CCO[C@H]2CCC[C@H]21 ZINC000300119804 382057240 /nfs/dbraw/zinc/05/72/40/382057240.db2.gz HVCHFWAMSVAXKC-KGLIPLIRSA-N 0 3 250.386 2.960 20 30 CFEDHN CC#CCN[C@@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374816738 382058099 /nfs/dbraw/zinc/05/80/99/382058099.db2.gz TYRLIAPKDVKBKS-ZBFHGGJFSA-N 0 3 296.336 2.852 20 30 CFEDHN COc1cccc([C@H]2[C@H](NCCCC#N)CCN2C2CC2)c1 ZINC000374847295 382059184 /nfs/dbraw/zinc/05/91/84/382059184.db2.gz UOXCDABAWUGNLT-MSOLQXFVSA-N 0 3 299.418 2.866 20 30 CFEDHN C=C(C)CCN1CCN(c2nc(C)c(C)s2)CC1 ZINC000351759800 382061500 /nfs/dbraw/zinc/06/15/00/382061500.db2.gz LROXRJYGSZXOAU-UHFFFAOYSA-N 0 3 265.426 2.848 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1c(C#N)cccc1C#N ZINC000343920454 382020587 /nfs/dbraw/zinc/02/05/87/382020587.db2.gz SPABHQNUUMLQQN-OAHLLOKOSA-N 0 3 268.364 2.716 20 30 CFEDHN CC(C)(CCC#N)CN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373602170 382021088 /nfs/dbraw/zinc/02/10/88/382021088.db2.gz DDBDCQRQBNSEKM-QGZVFWFLSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000351055126 382021608 /nfs/dbraw/zinc/02/16/08/382021608.db2.gz ICVCOEGPJHTPTC-ZBEGNZNMSA-N 0 3 282.347 2.599 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000351072413 382022965 /nfs/dbraw/zinc/02/29/65/382022965.db2.gz HCNOYNJBUGBNLY-ZIAGYGMSSA-N 0 3 291.443 2.506 20 30 CFEDHN C=CCOCCN1CC[C@@H](c2ccccc2OC)C1 ZINC000293215336 382033133 /nfs/dbraw/zinc/03/31/33/382033133.db2.gz VFCFCGRYRGNFCW-CQSZACIVSA-N 0 3 261.365 2.687 20 30 CFEDHN CCCN1CCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000343948577 382033951 /nfs/dbraw/zinc/03/39/51/382033951.db2.gz IEMZPEYBOZUFHL-LBPRGKRZSA-N 0 3 278.787 2.893 20 30 CFEDHN C[C@@H]1CC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000343969289 382040878 /nfs/dbraw/zinc/04/08/78/382040878.db2.gz VGYJRXMLMKRHEI-YUELXQCFSA-N 0 3 256.349 2.674 20 30 CFEDHN COCC[C@@H]1CCCCN(C[C@@H](C#N)CCC#N)C1 ZINC000375810350 382104073 /nfs/dbraw/zinc/10/40/73/382104073.db2.gz LBMJFKDZAJRXQL-LSDHHAIUSA-N 0 3 263.385 2.569 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H]1CC=CCC1 ZINC000344069250 382107148 /nfs/dbraw/zinc/10/71/48/382107148.db2.gz QPPNVYIERWXTSO-CVEARBPZSA-N 0 3 276.424 2.864 20 30 CFEDHN CCN(C(=O)[C@H](C)C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000344083881 382119080 /nfs/dbraw/zinc/11/90/80/382119080.db2.gz ZYOCPRISQNFOQR-VYDXJSESSA-N 0 3 299.418 2.830 20 30 CFEDHN N#Cc1cccc(N2CCN(CC3CCCCC3)CC2)n1 ZINC000301249694 382120631 /nfs/dbraw/zinc/12/06/31/382120631.db2.gz AUSYNPWAZFOZMN-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344089487 382122362 /nfs/dbraw/zinc/12/23/62/382122362.db2.gz JGEPUKLPRIKOQQ-KMFMINBZSA-N 0 3 291.439 2.551 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000376305477 382129049 /nfs/dbraw/zinc/12/90/49/382129049.db2.gz QRHWDIDCUFIBBN-VBNZEHGJSA-N 0 3 290.382 2.742 20 30 CFEDHN C[C@H]1CCCN(CCNc2cccc(F)c2C#N)C1 ZINC000301077030 382076550 /nfs/dbraw/zinc/07/65/50/382076550.db2.gz GGIREYUMEABZNU-LBPRGKRZSA-N 0 3 261.344 2.841 20 30 CFEDHN N#Cc1c(CN2CCC[C@@H]3COCC[C@H]32)cn2ccccc12 ZINC000362455766 382079554 /nfs/dbraw/zinc/07/95/54/382079554.db2.gz TXHATMUMPOLLMZ-RHSMWYFYSA-N 0 3 295.386 2.812 20 30 CFEDHN C=C(C)CN(C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000375360478 382081381 /nfs/dbraw/zinc/08/13/81/382081381.db2.gz GAZVZCHNQGXFGX-GOSISDBHSA-N 0 3 288.435 2.785 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375481846 382089609 /nfs/dbraw/zinc/08/96/09/382089609.db2.gz HDXOWAVSIZDTSO-QGZVFWFLSA-N 0 3 284.403 2.653 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000344046618 382091783 /nfs/dbraw/zinc/09/17/83/382091783.db2.gz KXJSGSGBFCXQHG-INIZCTEOSA-N 0 3 291.395 2.563 20 30 CFEDHN C[C@H]1CCCCN1CCNc1ccc(C#N)cc1F ZINC000301171330 382097738 /nfs/dbraw/zinc/09/77/38/382097738.db2.gz XHYKZKJLBVNAPS-LBPRGKRZSA-N 0 3 261.344 2.984 20 30 CFEDHN CC(C)CCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301173818 382098021 /nfs/dbraw/zinc/09/80/21/382098021.db2.gz YDHRZUCRYLUDKR-UHFFFAOYSA-N 0 3 275.371 2.865 20 30 CFEDHN CC#CCCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000376387137 382132825 /nfs/dbraw/zinc/13/28/25/382132825.db2.gz PGAHHTUFEUDMFH-UHFFFAOYSA-N 0 3 259.353 2.540 20 30 CFEDHN C[C@@H](NCCNC(=O)CC1CCCC1)c1ccc(C#N)cc1 ZINC000344112569 382135689 /nfs/dbraw/zinc/13/56/89/382135689.db2.gz UWEFUPKOSPLFQI-CQSZACIVSA-N 0 3 299.418 2.905 20 30 CFEDHN C=CCC1(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)CCC1 ZINC000376451524 382135969 /nfs/dbraw/zinc/13/59/69/382135969.db2.gz WEBSAXQPNHJCST-LSDHHAIUSA-N 0 3 276.424 2.818 20 30 CFEDHN CN(C)[C@H](CNc1cccc(C#N)n1)Cc1ccccc1 ZINC000301287881 382138674 /nfs/dbraw/zinc/13/86/74/382138674.db2.gz RQIBNUNTJBCQDI-INIZCTEOSA-N 0 3 280.375 2.538 20 30 CFEDHN C=CCC1(CNC(=O)N2C[C@@H](C)NC[C@H]2C)CCCC1 ZINC000418268651 382143862 /nfs/dbraw/zinc/14/38/62/382143862.db2.gz XMUVUDONFHRJNL-ZIAGYGMSSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC1(CNC(=O)N2C[C@H](C)NC[C@H]2C)CCCC1 ZINC000418268650 382143892 /nfs/dbraw/zinc/14/38/92/382143892.db2.gz XMUVUDONFHRJNL-UONOGXRCSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCOCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000293525619 382158281 /nfs/dbraw/zinc/15/82/81/382158281.db2.gz PBVQNBXUEIELNA-UHFFFAOYSA-N 0 3 273.376 2.784 20 30 CFEDHN CC#CCN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000352073764 382160589 /nfs/dbraw/zinc/16/05/89/382160589.db2.gz IXTJCMUBWWVHCO-HUUCEWRRSA-N 0 3 262.784 2.698 20 30 CFEDHN C=CCOCCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000293540931 382163638 /nfs/dbraw/zinc/16/36/38/382163638.db2.gz KGTDIKBNWDTPKD-GOSISDBHSA-N 0 3 289.419 2.506 20 30 CFEDHN C#CCOCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302154345 382210506 /nfs/dbraw/zinc/21/05/06/382210506.db2.gz MKUPENWKZAZBPV-UHFFFAOYSA-N 0 3 285.303 2.513 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNCc1ccc(C#N)s1 ZINC000344224622 382211199 /nfs/dbraw/zinc/21/11/99/382211199.db2.gz QUXTZJPRZHDZBD-CHWSQXEVSA-N 0 3 277.437 2.972 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNCc1ccc(C#N)o1 ZINC000344226982 382214132 /nfs/dbraw/zinc/21/41/32/382214132.db2.gz UKAYCLVJWGBYBR-CHWSQXEVSA-N 0 3 261.369 2.504 20 30 CFEDHN CCCN(C)CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352206388 382227183 /nfs/dbraw/zinc/22/71/83/382227183.db2.gz MPOYLMXJDXSPPP-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN Cc1nsc(N2CCC[C@@H](N3CCCCC3)C2)c1C#N ZINC000377150106 382228229 /nfs/dbraw/zinc/22/82/29/382228229.db2.gz NUELUTIGXMXDNT-CYBMUJFWSA-N 0 3 290.436 2.778 20 30 CFEDHN CN(CCN(C)C1CC1)c1cc(Cl)ccc1C#N ZINC000302281826 382234999 /nfs/dbraw/zinc/23/49/99/382234999.db2.gz VARHTGBBBICMGO-UHFFFAOYSA-N 0 3 263.772 2.742 20 30 CFEDHN CC(C)(C#N)CCN1CCC(OC2CCC2)CC1 ZINC000419296614 382276188 /nfs/dbraw/zinc/27/61/88/382276188.db2.gz DPPBSQQQCLPMPF-UHFFFAOYSA-N 0 3 250.386 2.960 20 30 CFEDHN Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345152907 382288860 /nfs/dbraw/zinc/28/88/60/382288860.db2.gz ZDCCETNRQXUURU-KGLIPLIRSA-N 0 3 285.391 2.597 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CCC(N)=O)C1 ZINC000187664050 382239439 /nfs/dbraw/zinc/23/94/39/382239439.db2.gz FDJQLGDHZGLAES-ZIAGYGMSSA-N 0 3 285.391 2.597 20 30 CFEDHN CC(C)(CCN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CC1 ZINC000419199132 382241656 /nfs/dbraw/zinc/24/16/56/382241656.db2.gz CZBMGCAOYZSRGD-HNNXBMFYSA-N 0 3 285.391 2.501 20 30 CFEDHN CCN(CC)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000377282590 382248365 /nfs/dbraw/zinc/24/83/65/382248365.db2.gz HJCYKBPXNNEICA-UHFFFAOYSA-N 0 3 297.402 2.516 20 30 CFEDHN CC[C@@H]1CCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419241837 382257852 /nfs/dbraw/zinc/25/78/52/382257852.db2.gz SCBAMTSWLWYUSB-KBMXLJTQSA-N 0 3 285.391 2.501 20 30 CFEDHN COc1cccc(C[C@@H](C)NCc2ccc(C#N)o2)c1 ZINC000344301343 382258953 /nfs/dbraw/zinc/25/89/53/382258953.db2.gz INTWCJHWVSUBRA-GFCCVEGCSA-N 0 3 270.332 2.881 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)Cc2cc(C#N)ccc2F)C1 ZINC000187907289 382292798 /nfs/dbraw/zinc/29/27/98/382292798.db2.gz ORPGSAPNJXHTSA-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN COCC#CCN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000680435783 542324981 /nfs/dbraw/zinc/32/49/81/542324981.db2.gz JAHXKAIFYPDKAY-IRXDYDNUSA-N 0 3 291.366 2.627 20 30 CFEDHN CCCN(CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352406526 382312679 /nfs/dbraw/zinc/31/26/79/382312679.db2.gz QTEICRQDNNPWPB-MRXNPFEDSA-N 0 3 285.391 2.786 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1c(C#N)cccc1C#N ZINC000302824377 382327567 /nfs/dbraw/zinc/32/75/67/382327567.db2.gz GGWRSFIWDGBJCS-ZDUSSCGKSA-N 0 3 268.364 2.716 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000346025563 382328010 /nfs/dbraw/zinc/32/80/10/382328010.db2.gz YRDPNTNHRYRKHB-WDEREUQCSA-N 0 3 290.338 2.951 20 30 CFEDHN C[C@H]1CCCCN1CCNc1c(C#N)cccc1C#N ZINC000302827822 382329523 /nfs/dbraw/zinc/32/95/23/382329523.db2.gz IFEMZMRGPQKZRK-ZDUSSCGKSA-N 0 3 268.364 2.716 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302829177 382329808 /nfs/dbraw/zinc/32/98/08/382329808.db2.gz JMDGXAMZVWPLRV-UONOGXRCSA-N 0 3 282.391 2.962 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000352436597 382332282 /nfs/dbraw/zinc/33/22/82/382332282.db2.gz ADXBOYQCWMOZFV-HOCLYGCPSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(C)(C#N)CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352437884 382332312 /nfs/dbraw/zinc/33/23/12/382332312.db2.gz DUDSQBYBEHJDLO-UONOGXRCSA-N 0 3 262.397 2.960 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cccc2ccccc21 ZINC000293910477 382333436 /nfs/dbraw/zinc/33/34/36/382333436.db2.gz FZEIBFDWOJDSLZ-UHFFFAOYSA-N 0 3 280.371 2.525 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OCc2ccccc2)cc1 ZINC000352447186 382336840 /nfs/dbraw/zinc/33/68/40/382336840.db2.gz JEMAJBUNLYMTQE-QGZVFWFLSA-N 0 3 283.371 2.902 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC000187926306 382299660 /nfs/dbraw/zinc/29/96/60/382299660.db2.gz JCAMEMRHSFYOKV-SUMWQHHRSA-N 0 3 288.391 2.550 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)o1 ZINC000377831674 382353559 /nfs/dbraw/zinc/35/35/59/382353559.db2.gz ALWQWDKKLFHSOC-KGLIPLIRSA-N 0 3 274.364 2.790 20 30 CFEDHN COc1cc(CN2CCCO[C@H](C(C)C)C2)ccc1C#N ZINC000294004844 382374339 /nfs/dbraw/zinc/37/43/39/382374339.db2.gz MKWWPULNVDZPRK-KRWDZBQOSA-N 0 3 288.391 2.814 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1cc(C(F)(F)F)cnc1C#N ZINC000420638433 382439544 /nfs/dbraw/zinc/43/95/44/382439544.db2.gz PXONPAHDFYRZDE-LLVKDONJSA-N 0 3 298.312 2.502 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCC[C@@H]1O ZINC000352667515 382442578 /nfs/dbraw/zinc/44/25/78/382442578.db2.gz KXIPAQRHDOWFKP-STQMWFEESA-N 0 3 296.317 2.505 20 30 CFEDHN N#Cc1ccc(C2=CCN(CCCCCO)CC2)cc1 ZINC000378356389 382446431 /nfs/dbraw/zinc/44/64/31/382446431.db2.gz RZNPBORSTNAYIW-UHFFFAOYSA-N 0 3 270.376 2.810 20 30 CFEDHN C=CCOCCN[C@H](COC)c1ccc(OCC)cc1 ZINC000294199400 382455804 /nfs/dbraw/zinc/45/58/04/382455804.db2.gz RJGMQCPTYCTJEP-MRXNPFEDSA-N 0 3 279.380 2.565 20 30 CFEDHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1cccc(C#N)c1 ZINC000378453102 382465038 /nfs/dbraw/zinc/46/50/38/382465038.db2.gz NLRIIPDAGYQEAN-XJKSGUPXSA-N 0 3 286.375 2.895 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)[C@H]1C ZINC000346673469 382465412 /nfs/dbraw/zinc/46/54/12/382465412.db2.gz VACAKYDNISFZDK-TYNCELHUSA-N 0 3 272.348 2.503 20 30 CFEDHN C=CCN1CCC(Nc2cc(C(C)C)ncn2)CC1 ZINC000352974671 382485851 /nfs/dbraw/zinc/48/58/51/382485851.db2.gz WFUJQRULPHNYKT-UHFFFAOYSA-N 0 3 260.385 2.662 20 30 CFEDHN C=CC[C@@H](CO)CNCc1sccc1Br ZINC000308859736 382487032 /nfs/dbraw/zinc/48/70/32/382487032.db2.gz ZITTXFDUWGIEOD-SECBINFHSA-N 0 3 290.226 2.785 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCC#N)CC[C@H]21 ZINC000366537453 382526995 /nfs/dbraw/zinc/52/69/95/382526995.db2.gz XYLSJPWJTKSORX-ZIAGYGMSSA-N 0 3 293.411 2.621 20 30 CFEDHN CC#CCCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420922880 382498231 /nfs/dbraw/zinc/49/82/31/382498231.db2.gz GPTIGNZOSOQVKO-KBPBESRZSA-N 0 3 265.397 2.842 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000420933614 382499452 /nfs/dbraw/zinc/49/94/52/382499452.db2.gz WIIXSXAWAVGMDU-QGZVFWFLSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCOCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420943616 382500964 /nfs/dbraw/zinc/50/09/64/382500964.db2.gz IHBVDIWYUNMVKI-NSHDSACASA-N 0 3 251.292 2.853 20 30 CFEDHN C[C@H](Cc1ccncc1)NCc1ccc(C#N)cc1F ZINC000358203274 382503799 /nfs/dbraw/zinc/50/37/99/382503799.db2.gz NFURBELXNAGSPC-GFCCVEGCSA-N 0 3 269.323 2.813 20 30 CFEDHN CC#CCCN1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421003467 382505320 /nfs/dbraw/zinc/50/53/20/382505320.db2.gz FFNAMVWOGKOEPQ-UONOGXRCSA-N 0 3 265.397 2.700 20 30 CFEDHN C=C(C)CN1CCC(NCc2nn(C)c(C)c2Cl)CC1 ZINC000421319615 382510220 /nfs/dbraw/zinc/51/02/20/382510220.db2.gz ANFJASDCPINPOC-UHFFFAOYSA-N 0 3 296.846 2.512 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@H](CO)C2)cc1 ZINC000421362043 382513145 /nfs/dbraw/zinc/51/31/45/382513145.db2.gz MFCFFIHCTDFGQJ-ZBFHGGJFSA-N 0 3 275.392 2.702 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000294962352 382553644 /nfs/dbraw/zinc/55/36/44/382553644.db2.gz IHVNPPTVUDTHKN-QGZVFWFLSA-N 0 3 287.403 2.946 20 30 CFEDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000385644068 382573959 /nfs/dbraw/zinc/57/39/59/382573959.db2.gz KHTMQZGAIVQKFI-ZFWWWQNUSA-N 0 3 278.783 2.804 20 30 CFEDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000385644066 382574257 /nfs/dbraw/zinc/57/42/57/382574257.db2.gz KHTMQZGAIVQKFI-UKRRQHHQSA-N 0 3 278.783 2.804 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H](CO)C2CCCCC2)c1 ZINC000386299839 382586536 /nfs/dbraw/zinc/58/65/36/382586536.db2.gz VHPZCOFFTBGIOQ-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN Cc1ccnc([C@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000353634404 382587352 /nfs/dbraw/zinc/58/73/52/382587352.db2.gz VLNCTPMWGLTVCT-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000346961150 382587618 /nfs/dbraw/zinc/58/76/18/382587618.db2.gz SZGPYTJRUNPUGN-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C)CC[C@@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000346966781 382591092 /nfs/dbraw/zinc/59/10/92/382591092.db2.gz JZSBOAYPGDRDMC-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H](C)SC)CC1 ZINC000358402434 382601173 /nfs/dbraw/zinc/60/11/73/382601173.db2.gz NDIAIBODMLDFAI-CYBMUJFWSA-N 0 3 284.469 2.675 20 30 CFEDHN CC#CCCNCc1cccc(Br)c1OC ZINC000390421262 382618076 /nfs/dbraw/zinc/61/80/76/382618076.db2.gz JXUTXKNDJJAMTF-UHFFFAOYSA-N 0 3 282.181 2.961 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@@H](O)Cc1ccccc1 ZINC000353748326 382624386 /nfs/dbraw/zinc/62/43/86/382624386.db2.gz HVNMYRKBUHPFCL-HNNXBMFYSA-N 0 3 286.400 2.655 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CC[C@H](C)O1 ZINC000398112220 382634906 /nfs/dbraw/zinc/63/49/06/382634906.db2.gz NMHDPXCKSUYEGZ-DZGCQCFKSA-N 0 3 261.365 2.909 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000189278869 382580018 /nfs/dbraw/zinc/58/00/18/382580018.db2.gz GSCIPCBVLHEROG-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN Cc1cc(C)cc(OCCNCc2cc(C#N)n(C)c2)c1 ZINC000190860934 382683065 /nfs/dbraw/zinc/68/30/65/382683065.db2.gz JXYQPSFZDKPXBV-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN CSc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190863353 382683168 /nfs/dbraw/zinc/68/31/68/382683168.db2.gz UVGRVZWKXMLQMX-UHFFFAOYSA-N 0 3 271.389 2.908 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)C#N ZINC000398168641 382635454 /nfs/dbraw/zinc/63/54/54/382635454.db2.gz NNNXBYBBGOGFDH-GDBMZVCRSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](C)COC ZINC000189764154 382639904 /nfs/dbraw/zinc/63/99/04/382639904.db2.gz CUAOWNSBYIPRLA-AWEZNQCLSA-N 0 3 263.381 2.966 20 30 CFEDHN CC[C@H](NCc1cc(C#N)n(C)c1)c1ccncc1 ZINC000191184476 382694545 /nfs/dbraw/zinc/69/45/45/382694545.db2.gz ZQZLKGWHRGZUSC-HNNXBMFYSA-N 0 3 254.337 2.533 20 30 CFEDHN CN(CCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191212206 382695844 /nfs/dbraw/zinc/69/58/44/382695844.db2.gz AAZGTCASOXZMBQ-UHFFFAOYSA-N 0 3 253.349 2.571 20 30 CFEDHN C=CCCCN(C)Cc1ccc(N(C)CCOC)nc1 ZINC000191383481 382699498 /nfs/dbraw/zinc/69/94/98/382699498.db2.gz SMAHVRCGWBILNN-UHFFFAOYSA-N 0 3 277.412 2.562 20 30 CFEDHN Cn1cc(CN(C[C@@H]2CCCO2)C2CCCC2)cc1C#N ZINC000191402844 382699897 /nfs/dbraw/zinc/69/98/97/382699897.db2.gz GRMWFAUSFNYNRI-KRWDZBQOSA-N 0 3 287.407 2.820 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCc2ccccc2NC1=O ZINC000192032483 382704442 /nfs/dbraw/zinc/70/44/42/382704442.db2.gz HKWTZRFKDBHBFB-OAHLLOKOSA-N 0 3 258.365 2.838 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000192078904 382704627 /nfs/dbraw/zinc/70/46/27/382704627.db2.gz VRSYGPOUJRIOBJ-SJORKVTESA-N 0 3 255.361 2.539 20 30 CFEDHN C[C@H]1CCN(CCOc2ccc(C#N)cc2)CCS1 ZINC000192192226 382705391 /nfs/dbraw/zinc/70/53/91/382705391.db2.gz DJORNGFBENVCEI-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN C[C@H]1CCCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192534005 382709832 /nfs/dbraw/zinc/70/98/32/382709832.db2.gz NJJSDUHBYUJZTE-WMLDXEAASA-N 0 3 297.402 2.928 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1 ZINC000192629289 382710865 /nfs/dbraw/zinc/71/08/65/382710865.db2.gz XJJGJDRNVWLFEY-SFHVURJKSA-N 0 3 280.371 2.594 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000193126436 382716037 /nfs/dbraw/zinc/71/60/37/382716037.db2.gz PJHZGDSIMAGHMC-QGZVFWFLSA-N 0 3 284.403 2.852 20 30 CFEDHN C=CCCCCCN1CCCN(Cc2noc(C)n2)CC1 ZINC000193337527 382718994 /nfs/dbraw/zinc/71/89/94/382718994.db2.gz NWCFGVSPVQBJRA-UHFFFAOYSA-N 0 3 292.427 2.632 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193417416 382719704 /nfs/dbraw/zinc/71/97/04/382719704.db2.gz IHVAYJLAKWTYDG-UHFFFAOYSA-N 0 3 290.367 2.629 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC=C(c3ccccn3)C2)C1 ZINC000574999490 382723156 /nfs/dbraw/zinc/72/31/56/382723156.db2.gz GUAUTBDDJDMBTD-HIFRSBDPSA-N 0 3 253.349 2.863 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](COC)c1ccc(Cl)cc1 ZINC000194173243 382736710 /nfs/dbraw/zinc/73/67/10/382736710.db2.gz HLJJYWBRQCUOOS-UONOGXRCSA-N 0 3 269.772 2.554 20 30 CFEDHN C=CC[C@H](CO)N[C@H](COC)c1ccc(Cl)cc1 ZINC000194173269 382736784 /nfs/dbraw/zinc/73/67/84/382736784.db2.gz HLJJYWBRQCUOOS-ZIAGYGMSSA-N 0 3 269.772 2.554 20 30 CFEDHN C=CCN(CCOC)CCC(=O)Nc1cccc(Cl)c1 ZINC000191107721 382691553 /nfs/dbraw/zinc/69/15/53/382691553.db2.gz BWTWTKXAPWPYPM-UHFFFAOYSA-N 0 3 296.798 2.803 20 30 CFEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)C(C)C)C1=O ZINC000337143031 382767320 /nfs/dbraw/zinc/76/73/20/382767320.db2.gz XYJMCGHLZZLGBP-MRXNPFEDSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@]2(C)CCCc3ccccc32)C1=O ZINC000337153255 382768431 /nfs/dbraw/zinc/76/84/31/382768431.db2.gz LSZDIXPKBNRTMO-AEFFLSMTSA-N 0 3 284.403 2.615 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@](C)(CCC)C2)C1=O ZINC000337167322 382770439 /nfs/dbraw/zinc/77/04/39/382770439.db2.gz CJLMOUJVGOVALD-HOCLYGCPSA-N 0 3 264.413 2.676 20 30 CFEDHN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)nc1 ZINC000198354574 382771736 /nfs/dbraw/zinc/77/17/36/382771736.db2.gz RWHTYBABLGWRFL-CQSZACIVSA-N 0 3 282.347 2.795 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(C)(c3ccccc3)CC2)C1=O ZINC000337189415 382773614 /nfs/dbraw/zinc/77/36/14/382773614.db2.gz RMUGHBJFEVRSFK-QGZVFWFLSA-N 0 3 298.430 2.827 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@]2(C)Cc2ccccc2)C1=O ZINC000337203726 382776162 /nfs/dbraw/zinc/77/61/62/382776162.db2.gz ICINRYCXKYFYCB-PKOBYXMFSA-N 0 3 298.430 2.871 20 30 CFEDHN C[C@H]1COC(C)(C)CN1CCCC1(C#N)CCOCC1 ZINC000337207678 382777225 /nfs/dbraw/zinc/77/72/25/382777225.db2.gz PBCBDHGKHVNEHF-AWEZNQCLSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H]2CCc3ccccc3C2)C1=O ZINC000337224931 382780285 /nfs/dbraw/zinc/78/02/85/382780285.db2.gz NWARYVNRXVGNHQ-MAUKXSAKSA-N 0 3 298.430 2.510 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCC[C@@H](C)C2)C1=O ZINC000337232919 382781775 /nfs/dbraw/zinc/78/17/75/382781775.db2.gz VYPFCLPWJPKCJK-KFWWJZLASA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(NCc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194299579 382739663 /nfs/dbraw/zinc/73/96/63/382739663.db2.gz VCPPYXFDNSUJAA-UHFFFAOYSA-N 0 3 296.418 2.817 20 30 CFEDHN Cn1cc(CN[C@H]2CCCC[C@H]2OC(F)F)cc1C#N ZINC000337276992 382792382 /nfs/dbraw/zinc/79/23/82/382792382.db2.gz FHWQPKXMZLBSBZ-QWHCGFSZSA-N 0 3 283.322 2.537 20 30 CFEDHN C=CCN(CCCCS(C)(=O)=O)CC1CCCCC1 ZINC000163246412 542358719 /nfs/dbraw/zinc/35/87/19/542358719.db2.gz VERKYINMZZTVJN-UHFFFAOYSA-N 0 3 287.469 2.880 20 30 CFEDHN C=CCSCCNCc1cc(OC)cc(OC)c1 ZINC000222064540 382800822 /nfs/dbraw/zinc/80/08/22/382800822.db2.gz RGCZAEPHOBVLFE-UHFFFAOYSA-N 0 3 267.394 2.713 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000337354845 382808590 /nfs/dbraw/zinc/80/85/90/382808590.db2.gz DKCDSWPXWPJVIM-GJZGRUSLSA-N 0 3 279.428 2.633 20 30 CFEDHN CC(C)(C)C[C@H](O)CNCc1ccc(C#N)cc1F ZINC000227597598 382838087 /nfs/dbraw/zinc/83/80/87/382838087.db2.gz GOLCSSIOKQGIOL-ZDUSSCGKSA-N 0 3 264.344 2.584 20 30 CFEDHN CCC[C@H](CCO)CNCc1ccc(C#N)cc1F ZINC000227598398 382838205 /nfs/dbraw/zinc/83/82/05/382838205.db2.gz FUFXFWXWXUQMFS-GFCCVEGCSA-N 0 3 264.344 2.586 20 30 CFEDHN C#CCCCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000494094039 382909486 /nfs/dbraw/zinc/90/94/86/382909486.db2.gz GQOGAVGQQNZGPO-CQSZACIVSA-N 0 3 280.412 2.731 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000337753880 382861695 /nfs/dbraw/zinc/86/16/95/382861695.db2.gz AOFJXISGPCKTTJ-CQSZACIVSA-N 0 3 299.418 2.669 20 30 CFEDHN C[C@@H](NCCCOC(F)F)c1ccc(C#N)cc1F ZINC000338008088 382898963 /nfs/dbraw/zinc/89/89/63/382898963.db2.gz ASGRQRLZVVEDBQ-SECBINFHSA-N 0 3 272.270 2.977 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N(CCN(C)C)CC(C)C ZINC000338154945 382936644 /nfs/dbraw/zinc/93/66/44/382936644.db2.gz ZUQSGKSROLNJSI-UHFFFAOYSA-N 0 3 287.407 2.527 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000338163019 382938588 /nfs/dbraw/zinc/93/85/88/382938588.db2.gz VCLMMMWDQRKXAJ-UONOGXRCSA-N 0 3 299.418 2.717 20 30 CFEDHN N#CCC1CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000540994727 382963861 /nfs/dbraw/zinc/96/38/61/382963861.db2.gz HKPOXSUDIFUYFY-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN N#CCC1CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000540994727 382963867 /nfs/dbraw/zinc/96/38/67/382963867.db2.gz HKPOXSUDIFUYFY-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN Cn1cc(CN2CCC(CC#N)CC2)c(-c2cccnc2)n1 ZINC000540993844 382964024 /nfs/dbraw/zinc/96/40/24/382964024.db2.gz PBRJRPKJQKKXON-UHFFFAOYSA-N 0 3 295.390 2.608 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000442710000 382946928 /nfs/dbraw/zinc/94/69/28/382946928.db2.gz BRKZAXNZSYOYKZ-YOEHRIQHSA-N 0 3 297.402 2.591 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000442713428 382948297 /nfs/dbraw/zinc/94/82/97/382948297.db2.gz WPMHJZFBWKFNET-SJORKVTESA-N 0 3 297.402 2.591 20 30 CFEDHN CCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000442795877 382957590 /nfs/dbraw/zinc/95/75/90/382957590.db2.gz VAKYHAGNJGLYHP-GXTWGEPZSA-N 0 3 259.353 2.652 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC(CC#N)CC1 ZINC000541024878 382964860 /nfs/dbraw/zinc/96/48/60/382964860.db2.gz RZZHKBBBTOOXQT-UHFFFAOYSA-N 0 3 299.374 2.571 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000442818991 382959226 /nfs/dbraw/zinc/95/92/26/382959226.db2.gz AHXDRUOJYSQMPY-ZYHUDNBSSA-N 0 3 299.296 2.761 20 30 CFEDHN CCCCn1cc(CN[C@H]2CC[C@@H](C#N)C2)c(C)n1 ZINC000442829300 382960185 /nfs/dbraw/zinc/96/01/85/382960185.db2.gz ORYHCBLJJYJFRC-HIFRSBDPSA-N 0 3 260.385 2.774 20 30 CFEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCCC#N)C1 ZINC000494455768 382913322 /nfs/dbraw/zinc/91/33/22/382913322.db2.gz SODGFHVKFYAYCJ-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C=C(CC)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000494693569 382920604 /nfs/dbraw/zinc/92/06/04/382920604.db2.gz KTSJNBWHUAUHTI-UHFFFAOYSA-N 0 3 268.401 2.942 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000338128629 382928888 /nfs/dbraw/zinc/92/88/88/382928888.db2.gz FERWOTWAJORDPG-MRXNPFEDSA-N 0 3 297.402 2.613 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000578538889 382930113 /nfs/dbraw/zinc/93/01/13/382930113.db2.gz IOSPNTPMZHYWFU-JKSUJKDBSA-N 0 3 276.424 2.579 20 30 CFEDHN CC(=O)Nc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000543780077 382973757 /nfs/dbraw/zinc/97/37/57/382973757.db2.gz MQZGKCIQVRAGRT-UHFFFAOYSA-N 0 3 271.364 2.771 20 30 CFEDHN COC(=O)C[C@H]1CSCCN1CCCCC(C)(C)C#N ZINC000444644228 382975572 /nfs/dbraw/zinc/97/55/72/382975572.db2.gz VKSVOVYZPIBDDP-ZDUSSCGKSA-N 0 3 298.452 2.687 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)CN1C ZINC000444670343 382976607 /nfs/dbraw/zinc/97/66/07/382976607.db2.gz HVGHDVQCSXJJQI-KGLIPLIRSA-N 0 3 251.418 2.731 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1cc(C#N)ccc1OC ZINC000444777090 382980767 /nfs/dbraw/zinc/98/07/67/382980767.db2.gz OFOJGTMRVALIDE-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN C=CCN1CCC(Nc2ncc3c(c2C#N)CCC3)CC1 ZINC000579102603 382981674 /nfs/dbraw/zinc/98/16/74/382981674.db2.gz HJQJTBGLJDYRIK-UHFFFAOYSA-N 0 3 282.391 2.504 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N[C@@H](C)CC)CCCC1(C)C ZINC000444784682 382981804 /nfs/dbraw/zinc/98/18/04/382981804.db2.gz WGDBDBKWZKZZRW-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1N(C[C@@H](C)CS(C)(=O)=O)CCCC1(C)C ZINC000444793175 382982295 /nfs/dbraw/zinc/98/22/95/382982295.db2.gz RHQVOTPVJVEBKT-KGLIPLIRSA-N 0 3 287.469 2.734 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@](C)(c2ccccc2)C1 ZINC000446712256 382991185 /nfs/dbraw/zinc/99/11/85/382991185.db2.gz QPILOWRWVRRGDN-IBGZPJMESA-N 0 3 298.430 2.851 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(CCOC)CCOC2)cc1 ZINC000447093141 382994087 /nfs/dbraw/zinc/99/40/87/382994087.db2.gz HILAXZLBCBZJEA-QGZVFWFLSA-N 0 3 291.391 2.537 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@H]1CCN(C2CC2)C1 ZINC000447043745 382994150 /nfs/dbraw/zinc/99/41/50/382994150.db2.gz DJIARAIWIGJWOJ-KRWDZBQOSA-N 0 3 288.822 2.860 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245515168 383003713 /nfs/dbraw/zinc/00/37/13/383003713.db2.gz DCHBQQWUXCVCNY-CVEARBPZSA-N 0 3 287.407 2.649 20 30 CFEDHN CC(C)NC(=O)OC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000495688797 383013832 /nfs/dbraw/zinc/01/38/32/383013832.db2.gz QCOVYEJISUWECO-AWEZNQCLSA-N 0 3 295.427 2.915 20 30 CFEDHN N#CCC1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000541921665 382966575 /nfs/dbraw/zinc/96/65/75/382966575.db2.gz AJIDQWGECLRQJI-UHFFFAOYSA-N 0 3 280.375 2.998 20 30 CFEDHN CC1(C)CC[C@@H](CNCc2ccc(C#N)cc2F)O1 ZINC000495172870 382967470 /nfs/dbraw/zinc/96/74/70/382967470.db2.gz IXKPBBQXKBUBNA-ZDUSSCGKSA-N 0 3 262.328 2.745 20 30 CFEDHN N#CCCCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541950562 382967710 /nfs/dbraw/zinc/96/77/10/382967710.db2.gz JRGCCEZAHQWOQV-GFCCVEGCSA-N 0 3 272.270 2.632 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C)C[C@H](C)C1 ZINC000443644309 382969646 /nfs/dbraw/zinc/96/96/46/382969646.db2.gz XXNYUMNPZABSEE-GJZGRUSLSA-N 0 3 264.413 2.555 20 30 CFEDHN CCN(Cc1ccc(C(=O)NC(C)(C)C#N)cc1)C1CC1 ZINC000542830349 382969755 /nfs/dbraw/zinc/96/97/55/382969755.db2.gz MOZLZMNQDIMASQ-UHFFFAOYSA-N 0 3 285.391 2.703 20 30 CFEDHN C=CCCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000447956114 383034258 /nfs/dbraw/zinc/03/42/58/383034258.db2.gz SRCZSXWGKONWLS-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495870043 383036838 /nfs/dbraw/zinc/03/68/38/383036838.db2.gz AYFDNYLMYWVCLV-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C)[C@H](C)C1 ZINC000245894135 383045158 /nfs/dbraw/zinc/04/51/58/383045158.db2.gz KDFSRFYHPKWEAR-ZNMIVQPWSA-N 0 3 264.413 2.553 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000245914355 383048016 /nfs/dbraw/zinc/04/80/16/383048016.db2.gz FCSJTRJDSWUBBX-UKRRQHHQSA-N 0 3 299.418 2.717 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448255604 383050710 /nfs/dbraw/zinc/05/07/10/383050710.db2.gz JKGBTVQYXJLWGE-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496019578 383054928 /nfs/dbraw/zinc/05/49/28/383054928.db2.gz HZNBTFKVCZGXOB-QWHCGFSZSA-N 0 3 266.385 2.504 20 30 CFEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246272710 383070586 /nfs/dbraw/zinc/07/05/86/383070586.db2.gz MMSFUXCFVFDBHU-RHSMWYFYSA-N 0 3 293.455 2.941 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cccc(CC#N)c1 ZINC000580111956 383077318 /nfs/dbraw/zinc/07/73/18/383077318.db2.gz RSCQGMNKWWBNJN-QGZVFWFLSA-N 0 3 299.418 2.699 20 30 CFEDHN C=CCCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000338544689 383022221 /nfs/dbraw/zinc/02/22/21/383022221.db2.gz DZRNIGBOQXOQGL-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Nc2cccc(C#N)c2)C1 ZINC000245708348 383026237 /nfs/dbraw/zinc/02/62/37/383026237.db2.gz YQTSRSZJTVWDBM-HOCLYGCPSA-N 0 3 298.390 2.506 20 30 CFEDHN CN1CCN(Cc2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000579550661 383027771 /nfs/dbraw/zinc/02/77/71/383027771.db2.gz MVWUSZUHDGMNCW-AEFFLSMTSA-N 0 3 298.434 2.538 20 30 CFEDHN CC#CCN1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496588072 383119552 /nfs/dbraw/zinc/11/95/52/383119552.db2.gz BYFQTSWVHMNZJY-AWEZNQCLSA-N 0 3 280.412 2.637 20 30 CFEDHN C[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000247115523 383145519 /nfs/dbraw/zinc/14/55/19/383145519.db2.gz YPDGEUCECMDQMI-CABCVRRESA-N 0 3 291.439 2.792 20 30 CFEDHN CC(C)c1ccc(O[C@@H](C)CNC(=O)C(C)C#N)cc1 ZINC000554022685 383122574 /nfs/dbraw/zinc/12/25/74/383122574.db2.gz JJXYMKQXPWXVCR-STQMWFEESA-N 0 3 274.364 2.853 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H](NCC(C)(C)CC#N)C1 ZINC000496678851 383122828 /nfs/dbraw/zinc/12/28/28/383122828.db2.gz QOSCEUZEOMCIRQ-LBPRGKRZSA-N 0 3 281.400 2.525 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCCC2 ZINC000554069173 383123811 /nfs/dbraw/zinc/12/38/11/383123811.db2.gz MACLRXVENCNOIN-HOTGVXAUSA-N 0 3 285.391 2.781 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@@H]3CCC[C@H]32)CCCCC1 ZINC000246947531 383124521 /nfs/dbraw/zinc/12/45/21/383124521.db2.gz ARPRMFSAGVYRQZ-LSDHHAIUSA-N 0 3 289.423 2.594 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cn2)C[C@H]1OC ZINC000554077795 383124542 /nfs/dbraw/zinc/12/45/42/383124542.db2.gz QOTQLFJIZGWLNL-HUUCEWRRSA-N 0 3 273.380 2.637 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@H]3CCC[C@H]32)CCCCC1 ZINC000246947514 383124741 /nfs/dbraw/zinc/12/47/41/383124741.db2.gz ARPRMFSAGVYRQZ-HUUCEWRRSA-N 0 3 289.423 2.594 20 30 CFEDHN CN(C)[C@H](CC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000597905759 383129246 /nfs/dbraw/zinc/12/92/46/383129246.db2.gz RHGGTMACGWCTKX-DOTOQJQBSA-N 0 3 299.418 2.832 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)o1 ZINC000247056582 383137123 /nfs/dbraw/zinc/13/71/23/383137123.db2.gz VFNIGWLJUIRBTB-GUYCJALGSA-N 0 3 285.391 2.600 20 30 CFEDHN C=CC[C@@H](C)NCc1cc(OC)c(OC)cc1F ZINC000580778347 383081032 /nfs/dbraw/zinc/08/10/32/383081032.db2.gz VRIGHYDZPHMZOE-SNVBAGLBSA-N 0 3 253.317 2.897 20 30 CFEDHN CC(C)C[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246558028 383081584 /nfs/dbraw/zinc/08/15/84/383081584.db2.gz NDIHJIWUWMIXCB-DOTOQJQBSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H]1CCCN(C)C1=O ZINC000583679716 383091856 /nfs/dbraw/zinc/09/18/56/383091856.db2.gz HWZJWJJKVCZFEM-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN CC[C@H](CNC[C@@H](C#N)CCC#N)CC(F)(F)F ZINC000583683552 383093013 /nfs/dbraw/zinc/09/30/13/383093013.db2.gz LOLQYJXJQYLHBS-WDEREUQCSA-N 0 3 261.291 2.998 20 30 CFEDHN Cc1nsc(N2CCCN(C(C)(C)C)CC2)c1C#N ZINC000553009655 383096385 /nfs/dbraw/zinc/09/63/85/383096385.db2.gz VJQMNCKEMIPUQP-UHFFFAOYSA-N 0 3 278.425 2.634 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000246726366 383096795 /nfs/dbraw/zinc/09/67/95/383096795.db2.gz HBTLQVBYPJMBDN-NVXWUHKLSA-N 0 3 299.418 2.627 20 30 CFEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000246719296 383096956 /nfs/dbraw/zinc/09/69/56/383096956.db2.gz MYELPSYLSXGJRV-DOTOQJQBSA-N 0 3 293.455 2.799 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000448921603 383106636 /nfs/dbraw/zinc/10/66/36/383106636.db2.gz NZZNKWJDRKEOIV-CYBMUJFWSA-N 0 3 286.366 2.579 20 30 CFEDHN CN(C)C(=O)O[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000496479138 383106702 /nfs/dbraw/zinc/10/67/02/383106702.db2.gz WWKXJMHEUCFUMZ-CQSZACIVSA-N 0 3 293.411 2.623 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496542574 383114196 /nfs/dbraw/zinc/11/41/96/383114196.db2.gz LOPVMSHAZJCBOH-RDBSUJKOSA-N 0 3 295.427 2.914 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000564915215 383174569 /nfs/dbraw/zinc/17/45/69/383174569.db2.gz DJQRAIBJPSFWMN-NSHDSACASA-N 0 3 285.269 2.665 20 30 CFEDHN N#CCC1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565217887 383177726 /nfs/dbraw/zinc/17/77/26/383177726.db2.gz NEXDQSCTOLUIFV-ZDUSSCGKSA-N 0 3 271.320 2.866 20 30 CFEDHN CN1CC[C@@H](CNCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566112939 383184209 /nfs/dbraw/zinc/18/42/09/383184209.db2.gz AGPKMXVPKDQDQL-WFASDCNBSA-N 0 3 295.789 2.975 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC(C)(C)C ZINC000339252231 383186067 /nfs/dbraw/zinc/18/60/67/383186067.db2.gz DINUIKLUZSFWCK-CYBMUJFWSA-N 0 3 254.418 2.777 20 30 CFEDHN C=CCN(C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449260345 383187150 /nfs/dbraw/zinc/18/71/50/383187150.db2.gz VRFVDWYHUYFEHM-UHFFFAOYSA-N 0 3 259.328 2.844 20 30 CFEDHN C=C(C)[C@H](CC(=O)NCCN1[C@H](C)CCC[C@H]1C)OCC ZINC000339362862 383192512 /nfs/dbraw/zinc/19/25/12/383192512.db2.gz SCPMRTXCEPFJNE-OAGGEKHMSA-N 0 3 296.455 2.737 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634457546 383199378 /nfs/dbraw/zinc/19/93/78/383199378.db2.gz AZXQZOHPMSNKKA-INIZCTEOSA-N 0 3 286.419 2.898 20 30 CFEDHN CC#CCCCC(=O)Nc1ccccc1CN(C)C ZINC000562293125 383155740 /nfs/dbraw/zinc/15/57/40/383155740.db2.gz IQUACXADZJHSCS-UHFFFAOYSA-N 0 3 258.365 2.880 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCC2)CCCC1 ZINC000562519618 383159384 /nfs/dbraw/zinc/15/93/84/383159384.db2.gz AYNOEUFTPYGNCD-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@H](C1CC1)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515852225 383161300 /nfs/dbraw/zinc/16/13/00/383161300.db2.gz SKYLEVATPOYUFJ-SNVBAGLBSA-N 0 3 259.309 2.697 20 30 CFEDHN CN(C)c1ccncc1CNCc1ccc(CC#N)cc1 ZINC000515843896 383161382 /nfs/dbraw/zinc/16/13/82/383161382.db2.gz BKVSONMOGAPARS-UHFFFAOYSA-N 0 3 280.375 2.503 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)Cc1ccc(F)cc1 ZINC000339135892 383162486 /nfs/dbraw/zinc/16/24/86/383162486.db2.gz WQYVCAAKQSMLHZ-CVEARBPZSA-N 0 3 263.356 2.770 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC000516312763 383163878 /nfs/dbraw/zinc/16/38/78/383163878.db2.gz KAFISSCCNYWECV-WBVHZDCISA-N 0 3 286.419 2.632 20 30 CFEDHN N#CCC[C@H](C#N)CNCCCc1nc2ccccc2[nH]1 ZINC000563710035 383168063 /nfs/dbraw/zinc/16/80/63/383168063.db2.gz UNXMLQRTBHNPMO-CYBMUJFWSA-N 0 3 281.363 2.529 20 30 CFEDHN CC(C)N(CCc1nccs1)Cc1ccc(C#N)cn1 ZINC000516875096 383168371 /nfs/dbraw/zinc/16/83/71/383168371.db2.gz DMDBNZVVPBSSAT-UHFFFAOYSA-N 0 3 286.404 2.863 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000247396740 383170185 /nfs/dbraw/zinc/17/01/85/383170185.db2.gz LWVJYJVHOOKYCZ-AEFFLSMTSA-N 0 3 288.435 2.520 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000339155733 383170207 /nfs/dbraw/zinc/17/02/07/383170207.db2.gz QPIYODJKYQBTMU-RKTXRCNFSA-N 0 3 298.386 2.567 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339673067 383281557 /nfs/dbraw/zinc/28/15/57/383281557.db2.gz DYAITMXDGPOESD-HOCLYGCPSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000567355764 383267033 /nfs/dbraw/zinc/26/70/33/383267033.db2.gz NPRUGMNLMGOUHI-CYBMUJFWSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCOC2(C)C)c1 ZINC000449415425 383276317 /nfs/dbraw/zinc/27/63/17/383276317.db2.gz OJSMVXBVJXTKTK-OAHLLOKOSA-N 0 3 261.365 2.909 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2ccccc2C#N)C1(C)C ZINC000339497156 383217523 /nfs/dbraw/zinc/21/75/23/383217523.db2.gz FJSTTZGPPPMBPF-ZBFHGGJFSA-N 0 3 258.365 2.851 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1cccc(C)n1 ZINC000248180820 383218254 /nfs/dbraw/zinc/21/82/54/383218254.db2.gz WKBJAWMENWDXTI-HOCLYGCPSA-N 0 3 260.381 2.854 20 30 CFEDHN N#Cc1cnc(NC2CCN(C3CCC3)CC2)c(F)c1 ZINC000567028355 383235244 /nfs/dbraw/zinc/23/52/44/383235244.db2.gz IQPWPZXSIDOZNZ-UHFFFAOYSA-N 0 3 274.343 2.521 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](CC)CC#N)C[C@@H]1C ZINC000248396984 383235255 /nfs/dbraw/zinc/23/52/55/383235255.db2.gz QYPZVCLICVWPEN-XDQVBPFNSA-N 0 3 266.385 2.636 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000424704610 383236445 /nfs/dbraw/zinc/23/64/45/383236445.db2.gz MLZOTTNBYVAMAQ-UHFFFAOYSA-N 0 3 296.455 2.594 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000449490392 383328395 /nfs/dbraw/zinc/32/83/95/383328395.db2.gz CCCODKFTJFPMMK-CJNGLKHVSA-N 0 3 288.391 2.814 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000449493077 383330360 /nfs/dbraw/zinc/33/03/60/383330360.db2.gz KOYWSBRMSKUBPA-XJKSGUPXSA-N 0 3 258.365 2.805 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000249141304 383330891 /nfs/dbraw/zinc/33/08/91/383330891.db2.gz QTZVAZAUQYBCCM-GOEBONIOSA-N 0 3 295.390 2.623 20 30 CFEDHN COc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1C#N ZINC000449504869 383341488 /nfs/dbraw/zinc/34/14/88/383341488.db2.gz WJXDGPVIZFVFNV-MRXNPFEDSA-N 0 3 288.391 2.814 20 30 CFEDHN CC(C)(C)N1CCCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000521150159 383286165 /nfs/dbraw/zinc/28/61/65/383286165.db2.gz KZTDSDVHJDBUFV-UHFFFAOYSA-N 0 3 298.434 2.753 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000248855713 383298874 /nfs/dbraw/zinc/29/88/74/383298874.db2.gz PGMPVDDVYDVMAQ-HZSPNIEDSA-N 0 3 261.369 2.554 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(F)cc1C#N)C1(CO)CCC1 ZINC000339729053 383299348 /nfs/dbraw/zinc/29/93/48/383299348.db2.gz WNQQIRSMRAPMOT-MRXNPFEDSA-N 0 3 290.382 2.974 20 30 CFEDHN CC[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248898416 383305175 /nfs/dbraw/zinc/30/51/75/383305175.db2.gz OMZRXACZJARWLP-PBHICJAKSA-N 0 3 297.402 2.786 20 30 CFEDHN CN(C)CCSCc1cn2ccccc2c1C#N ZINC000339744319 383305254 /nfs/dbraw/zinc/30/52/54/383305254.db2.gz HKIZCVLILCMXTD-UHFFFAOYSA-N 0 3 259.378 2.606 20 30 CFEDHN CCc1noc(C2CCC(NCC3(C#N)CCC3)CC2)n1 ZINC000567715694 383306652 /nfs/dbraw/zinc/30/66/52/383306652.db2.gz QMAPDFGIEJZILN-UHFFFAOYSA-N 0 3 288.395 2.942 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@@H](COC)Cc1ccccc1 ZINC000249048551 383321619 /nfs/dbraw/zinc/32/16/19/383321619.db2.gz HTCKPDOKBAWLPX-IAGOWNOFSA-N 0 3 277.408 2.503 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000427695922 383415785 /nfs/dbraw/zinc/41/57/85/383415785.db2.gz MUOBTTLJDOATBD-UXLLHSPISA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCCCCN1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000568474741 383405073 /nfs/dbraw/zinc/40/50/73/383405073.db2.gz ODYBEURDCLTLFL-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc(OCC(=O)OC)cc1 ZINC000426569944 383405080 /nfs/dbraw/zinc/40/50/80/383405080.db2.gz GMAOEIWXHNPPBB-OAHLLOKOSA-N 0 3 289.375 2.779 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc(N(C)CCOC)nc1 ZINC000426554360 383405095 /nfs/dbraw/zinc/40/50/95/383405095.db2.gz VCFFEFAANPBLEA-MRXNPFEDSA-N 0 3 289.423 2.705 20 30 CFEDHN N#Cc1ccc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449515162 383350636 /nfs/dbraw/zinc/35/06/36/383350636.db2.gz ZOASOSXPLNXCQW-NVXWUHKLSA-N 0 3 288.366 2.584 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OCCC)c1 ZINC000449524133 383353020 /nfs/dbraw/zinc/35/30/20/383353020.db2.gz YZUIRJPOTZUATG-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000449520208 383353358 /nfs/dbraw/zinc/35/33/58/383353358.db2.gz OTRANSIZWKINMI-GDLCADMTSA-N 0 3 265.328 2.828 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000467429414 383353326 /nfs/dbraw/zinc/35/33/26/383353326.db2.gz XTKHWIOIFKYQLS-AEFFLSMTSA-N 0 3 288.435 2.878 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1nn(CC)c2ccccc12 ZINC000449549286 383355355 /nfs/dbraw/zinc/35/53/55/383355355.db2.gz WLFRIDUMQUTTRB-PBHICJAKSA-N 0 3 285.391 2.879 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC)c(OC)c1 ZINC000449549649 383355720 /nfs/dbraw/zinc/35/57/20/383355720.db2.gz ZSHLOTJGUJSPRN-CABCVRRESA-N 0 3 291.391 2.917 20 30 CFEDHN FC(F)(F)c1ccc(C#CCN2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000634781728 383356100 /nfs/dbraw/zinc/35/61/00/383356100.db2.gz MIDPUNOAZUKMNL-OKILXGFUSA-N 0 3 295.304 2.635 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(C(C)C)s1 ZINC000449696056 383360686 /nfs/dbraw/zinc/36/06/86/383360686.db2.gz GZAPZWFZUOLJTH-LLVKDONJSA-N 0 3 254.399 2.683 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc2cc(F)ccc2o1 ZINC000449700583 383362196 /nfs/dbraw/zinc/36/21/96/383362196.db2.gz UMMGNSFWFOHICQ-CYBMUJFWSA-N 0 3 263.312 2.989 20 30 CFEDHN C=CCOc1cccc(CNC[C@H](O)C2CCC2)c1 ZINC000449740870 383362902 /nfs/dbraw/zinc/36/29/02/383362902.db2.gz RMUPXWMNMZAKSW-INIZCTEOSA-N 0 3 261.365 2.502 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000568185490 383371184 /nfs/dbraw/zinc/37/11/84/383371184.db2.gz ABNSLPVPHFXBDA-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCC1(C(=O)NCCN(C)CCCOC)CCCCC1 ZINC000449945050 383373024 /nfs/dbraw/zinc/37/30/24/383373024.db2.gz MLEXYRLKVNLLAS-UHFFFAOYSA-N 0 3 296.455 2.598 20 30 CFEDHN CC(C)[C@H]1CN(C)CCN1CC#Cc1ccccc1Cl ZINC000425484699 383381771 /nfs/dbraw/zinc/38/17/71/383381771.db2.gz SSSSFNXLKZEHJH-QGZVFWFLSA-N 0 3 290.838 2.964 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCCC1 ZINC000450106538 383382021 /nfs/dbraw/zinc/38/20/21/383382021.db2.gz OJNBJGCLXNZDBL-UKRRQHHQSA-N 0 3 276.424 2.722 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000475740234 383387163 /nfs/dbraw/zinc/38/71/63/383387163.db2.gz BJSXKHXWUJOVFF-QLFBSQMISA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000568833093 383440440 /nfs/dbraw/zinc/44/04/40/383440440.db2.gz WQGLHVFTFGQMFD-HNNXBMFYSA-N 0 3 280.799 2.986 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253094249 383444399 /nfs/dbraw/zinc/44/43/99/383444399.db2.gz NHYWRBQFIFHEIF-BRWVUGGUSA-N 0 3 270.376 2.684 20 30 CFEDHN C=CCCCCCN1CCC[C@@H](NC(=O)CC)C1 ZINC000487871901 383481931 /nfs/dbraw/zinc/48/19/31/383481931.db2.gz NKNPJRLLOBXTGJ-CQSZACIVSA-N 0 3 252.402 2.723 20 30 CFEDHN CC(C)C[C@]1(CO)CCCN1CC#Cc1ccccc1 ZINC000483979652 383454259 /nfs/dbraw/zinc/45/42/59/383454259.db2.gz LLHCEISVNOFGBB-SFHVURJKSA-N 0 3 271.404 2.911 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCCCF ZINC000428480828 383482917 /nfs/dbraw/zinc/48/29/17/383482917.db2.gz MEDXGGXPXWYAIZ-AWEZNQCLSA-N 0 3 262.328 2.625 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485878670 383468632 /nfs/dbraw/zinc/46/86/32/383468632.db2.gz BZSWHQXFJDUDSD-KURKYZTESA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccc(F)cc1C ZINC000487970110 383483175 /nfs/dbraw/zinc/48/31/75/383483175.db2.gz JNWLLROAERQOTA-HNNXBMFYSA-N 0 3 251.345 2.893 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@@H]4CCC[C@H]43)n2c1 ZINC000428463495 383479553 /nfs/dbraw/zinc/47/95/53/383479553.db2.gz VQKMUYXGRWJNNZ-DZGCQCFKSA-N 0 3 266.348 2.580 20 30 CFEDHN C[C@@H]1C[C@H](C)N1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000525996799 383419640 /nfs/dbraw/zinc/41/96/40/383419640.db2.gz JWIZVFUYZZGZJD-OKILXGFUSA-N 0 3 295.390 2.841 20 30 CFEDHN CCC(CC)CN(CCC#N)C[C@H]1CCNC(=O)CC1 ZINC000450461611 383419835 /nfs/dbraw/zinc/41/98/35/383419835.db2.gz BRQMJZIDVORTMZ-OAHLLOKOSA-N 0 3 279.428 2.555 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(C#N)c1 ZINC000341052733 383545736 /nfs/dbraw/zinc/54/57/36/383545736.db2.gz FOVVTDDNBTXFAF-KBPBESRZSA-N 0 3 285.391 2.551 20 30 CFEDHN CN(CCc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000569305338 383484821 /nfs/dbraw/zinc/48/48/21/383484821.db2.gz YJESXMUSMCOFNJ-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN COC(=O)[C@@H]1CCCCCC[C@@H]1NCC1(C#N)CCC1 ZINC000450755433 383486092 /nfs/dbraw/zinc/48/60/92/383486092.db2.gz BEQCGQAXFXNUIS-KGLIPLIRSA-N 0 3 278.396 2.782 20 30 CFEDHN C=CCC1(CNC(=O)NC[C@H]2CCCN(C)C2)CCCC1 ZINC000569310836 383486339 /nfs/dbraw/zinc/48/63/39/383486339.db2.gz FNMLJTAXAHKUQD-OAHLLOKOSA-N 0 3 293.455 2.764 20 30 CFEDHN C=CCC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CCCC1 ZINC000450767383 383486973 /nfs/dbraw/zinc/48/69/73/383486973.db2.gz UFGCEMJBFAPYMP-CQSZACIVSA-N 0 3 276.424 2.890 20 30 CFEDHN CC(C)[C@H]1CN(CC#Cc2cccc(Cl)c2)CCN1C ZINC000488035595 383489093 /nfs/dbraw/zinc/48/90/93/383489093.db2.gz XFABLDWRIVMSDS-QGZVFWFLSA-N 0 3 290.838 2.964 20 30 CFEDHN C=CCCCC(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000428548116 383490172 /nfs/dbraw/zinc/49/01/72/383490172.db2.gz NLMLNEPGTWWCSI-MRXNPFEDSA-N 0 3 288.391 2.548 20 30 CFEDHN CCN(CC)[C@@H](CNc1ccc(C#N)c(C)n1)c1ccco1 ZINC000488071378 383492936 /nfs/dbraw/zinc/49/29/36/383492936.db2.gz XMPNJCVQUROIFX-HNNXBMFYSA-N 0 3 298.390 2.772 20 30 CFEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000428595880 383495894 /nfs/dbraw/zinc/49/58/94/383495894.db2.gz FXLGFLBUWULUDO-MFKMUULPSA-N 0 3 280.755 2.646 20 30 CFEDHN CCN(C[C@@H](C)OC)C(=O)C(C#N)CCc1ccccc1 ZINC000428922572 383501946 /nfs/dbraw/zinc/50/19/46/383501946.db2.gz MHFCQBBIYUUUFK-GDBMZVCRSA-N 0 3 288.391 2.642 20 30 CFEDHN CO[C@H](Cc1ccc(F)cc1)CN1CCC(C#N)CC1 ZINC000528365967 383503613 /nfs/dbraw/zinc/50/36/13/383503613.db2.gz NNGMSFXBCYSSRY-MRXNPFEDSA-N 0 3 276.355 2.619 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C1(CO)CCC1 ZINC000429237154 383506528 /nfs/dbraw/zinc/50/65/28/383506528.db2.gz KEUVYLMISRVQFY-UHFFFAOYSA-N 0 3 263.768 2.538 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1sccc1C#N ZINC000341063564 383550812 /nfs/dbraw/zinc/55/08/12/383550812.db2.gz RDGQHDTTZAMMMT-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN Cc1cscc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000429344903 383521763 /nfs/dbraw/zinc/52/17/63/383521763.db2.gz OFTVBLRBOKPFDI-NSHDSACASA-N 0 3 271.345 2.953 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1C ZINC000488349911 383525948 /nfs/dbraw/zinc/52/59/48/383525948.db2.gz ORFGANGIKVXSHT-BBRMVZONSA-N 0 3 258.365 2.663 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000429871118 383575012 /nfs/dbraw/zinc/57/50/12/383575012.db2.gz UQGXBPKAQPRAIU-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCN1CCC(NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC000635530810 383578706 /nfs/dbraw/zinc/57/87/06/383578706.db2.gz KEZIDKKCYPYKQY-SREVYHEPSA-N 0 3 298.430 2.942 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000429940829 383579594 /nfs/dbraw/zinc/57/95/94/383579594.db2.gz ILUUVTJMDPWOCM-MRXNPFEDSA-N 0 3 288.435 2.878 20 30 CFEDHN COCCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000528573636 383581845 /nfs/dbraw/zinc/58/18/45/383581845.db2.gz LWWLZICISHLJMA-UHFFFAOYSA-N 0 3 288.391 2.686 20 30 CFEDHN CC1(C)CC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000570292111 383591780 /nfs/dbraw/zinc/59/17/80/383591780.db2.gz QICRDLPXXYBYOE-ZDUSSCGKSA-N 0 3 291.782 2.928 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000489024957 383592245 /nfs/dbraw/zinc/59/22/45/383592245.db2.gz FYOWETHJPQWFDO-QGZVFWFLSA-N 0 3 272.392 2.851 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCO2 ZINC000430734539 383597407 /nfs/dbraw/zinc/59/74/07/383597407.db2.gz NEMXXEOHXJXHSN-NSHDSACASA-N 0 3 258.321 2.760 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Nc3ccccc3)C2)C1 ZINC000429692535 383558679 /nfs/dbraw/zinc/55/86/79/383558679.db2.gz UAAOVXMVDIJWNX-KBMXLJTQSA-N 0 3 255.365 2.865 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(OC)c(F)c1 ZINC000429706599 383561223 /nfs/dbraw/zinc/56/12/23/383561223.db2.gz GNFMFTMCQLMXOU-UHFFFAOYSA-N 0 3 280.387 2.774 20 30 CFEDHN CC(C)(C)CCN1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429727419 383563869 /nfs/dbraw/zinc/56/38/69/383563869.db2.gz WZTCMXKKHBGNRX-LSDHHAIUSA-N 0 3 263.429 2.732 20 30 CFEDHN C[C@H]1CC[C@H](N(CC#Cc2ccc(F)cc2)CCO)C1 ZINC000429771684 383567760 /nfs/dbraw/zinc/56/77/60/383567760.db2.gz NCILNVOSIDWXCP-YOEHRIQHSA-N 0 3 275.367 2.660 20 30 CFEDHN CCO[C@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1C ZINC000451541056 383638927 /nfs/dbraw/zinc/63/89/27/383638927.db2.gz LHMQJANHSUKWMV-HOCLYGCPSA-N 0 3 288.391 2.684 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000451546486 383641792 /nfs/dbraw/zinc/64/17/92/383641792.db2.gz SEESKVVDCZSQTJ-XJKSGUPXSA-N 0 3 288.391 2.814 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@H](OC)C1(CC)CC ZINC000570883761 383644104 /nfs/dbraw/zinc/64/41/04/383644104.db2.gz IVEOFRMVYXJRAJ-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@@H]2CCCO[C@H]21 ZINC000451474736 383624062 /nfs/dbraw/zinc/62/40/62/383624062.db2.gz BEAFZJHEMQSGJK-APHBMKBZSA-N 0 3 288.366 2.991 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451497603 383628863 /nfs/dbraw/zinc/62/88/63/383628863.db2.gz WGGMJMJZOVOFLI-WQVCFCJDSA-N 0 3 286.350 2.745 20 30 CFEDHN CCO[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000451521398 383633919 /nfs/dbraw/zinc/63/39/19/383633919.db2.gz DOTLRNKNJWVUFH-WMLDXEAASA-N 0 3 288.391 2.684 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](c2ccccc2)C1 ZINC000433067217 383753809 /nfs/dbraw/zinc/75/38/09/383753809.db2.gz MKPXVTNKRWLQTR-RDJZCZTQSA-N 0 3 299.418 2.627 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2ccccc2)C1 ZINC000433067215 383754129 /nfs/dbraw/zinc/75/41/29/383754129.db2.gz MKPXVTNKRWLQTR-NVXWUHKLSA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H](c3ccccc3)C2)C1=O ZINC000433044435 383754353 /nfs/dbraw/zinc/75/43/53/383754353.db2.gz MZECVQTVBMCAMZ-DLBZAZTESA-N 0 3 284.403 2.653 20 30 CFEDHN C=CCSCCNCc1ccc(-c2cc[nH]n2)o1 ZINC000433322534 383762110 /nfs/dbraw/zinc/76/21/10/383762110.db2.gz QUCSQTSBTJKVQJ-UHFFFAOYSA-N 0 3 263.366 2.679 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000453098639 383764965 /nfs/dbraw/zinc/76/49/65/383764965.db2.gz JSDGYCKQWKTHEX-GJZGRUSLSA-N 0 3 274.339 2.745 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1CC(=O)c1ccco1 ZINC000434254998 383767145 /nfs/dbraw/zinc/76/71/45/383767145.db2.gz GJFZXOLVHONYBW-CHWSQXEVSA-N 0 3 288.347 2.783 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000572254362 383767669 /nfs/dbraw/zinc/76/76/69/383767669.db2.gz MMTQEWQFWKUHGK-HNNXBMFYSA-N 0 3 281.444 2.857 20 30 CFEDHN CCN(C[C@H](C)C#N)C[C@@H](C)CC1CCOCC1 ZINC000350006003 285043283 /nfs/dbraw/zinc/04/32/83/285043283.db2.gz FEVDNIAOCYMGLJ-UONOGXRCSA-N 0 3 252.402 2.921 20 30 CFEDHN N#Cc1cccc(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c1F ZINC000451614436 383667270 /nfs/dbraw/zinc/66/72/70/383667270.db2.gz OOJAUEHDXXLCAQ-NVXWUHKLSA-N 0 3 288.366 2.584 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)CCC(C)(C)C ZINC000646027691 383826797 /nfs/dbraw/zinc/82/67/97/383826797.db2.gz XATVVMOFFRJHBA-UHFFFAOYSA-N 0 3 254.418 2.779 20 30 CFEDHN Cn1cc([C@@H]2CN(Cc3ccccc3C#N)CC2(C)C)cn1 ZINC000572682166 383807056 /nfs/dbraw/zinc/80/70/56/383807056.db2.gz ABVKAIFZKGMTJF-KRWDZBQOSA-N 0 3 294.402 2.917 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@@H](C)C2)CC1 ZINC000435969940 383782163 /nfs/dbraw/zinc/78/21/63/383782163.db2.gz UXPNYCLWSUNRIT-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN COc1cc(CNCCc2ccc(C)cn2)ccc1C#N ZINC000453595044 383865500 /nfs/dbraw/zinc/86/55/00/383865500.db2.gz CGVJDLLDQYBCOW-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC[C@H]1CCCO1 ZINC000573114255 383874653 /nfs/dbraw/zinc/87/46/53/383874653.db2.gz MGKYDRLPCPULIZ-RHSMWYFYSA-N 0 3 288.391 2.747 20 30 CFEDHN C=CCCCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000573436154 383927839 /nfs/dbraw/zinc/92/78/39/383927839.db2.gz GMBWMPSVCPMCES-NEPJUHHUSA-N 0 3 265.319 2.978 20 30 CFEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)C(C)C#N ZINC000438044435 383938450 /nfs/dbraw/zinc/93/84/50/383938450.db2.gz MJUIHIPQVNRSKU-BFHYXJOUSA-N 0 3 266.385 2.636 20 30 CFEDHN CCC[C@@H](C)[C@@H](CO)NCc1cc(C#N)ccc1F ZINC000573566833 383951163 /nfs/dbraw/zinc/95/11/63/383951163.db2.gz FWQNGZSZHONLPT-IAQYHMDHSA-N 0 3 264.344 2.584 20 30 CFEDHN N#CCCC1CCN(CCOCC2CCC2)CC1 ZINC000573603887 383960741 /nfs/dbraw/zinc/96/07/41/383960741.db2.gz YJVGVYVYCDXTGD-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000265818466 384008582 /nfs/dbraw/zinc/00/85/82/384008582.db2.gz RNGCGJFVEHAFKE-HNNXBMFYSA-N 0 3 279.428 2.673 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000439658326 384038481 /nfs/dbraw/zinc/03/84/81/384038481.db2.gz MTYMODXLSFSJPB-LBPRGKRZSA-N 0 3 265.316 2.524 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2nccnc2C)CC1 ZINC000440487096 384088346 /nfs/dbraw/zinc/08/83/46/384088346.db2.gz MGYOMKGDGUBQNI-CQSZACIVSA-N 0 3 274.412 2.652 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000637620689 384137783 /nfs/dbraw/zinc/13/77/83/384137783.db2.gz GREZELIHCWIQHB-LSDHHAIUSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000574958592 384168152 /nfs/dbraw/zinc/16/81/52/384168152.db2.gz DDPCHHKJDLQUDI-CMPLNLGQSA-N 0 3 299.212 2.822 20 30 CFEDHN N#CCOc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000266773564 384235496 /nfs/dbraw/zinc/23/54/96/384235496.db2.gz SQEKPGGZJUJMLK-UHFFFAOYSA-N 0 3 296.374 2.692 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@]1(OC)CCOC1 ZINC000637974791 384319476 /nfs/dbraw/zinc/31/94/76/384319476.db2.gz SRCQSGUAJLJJGA-QGZVFWFLSA-N 0 3 275.392 2.523 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@]1(OC)CCOC1 ZINC000637974790 384320524 /nfs/dbraw/zinc/32/05/24/384320524.db2.gz SRCQSGUAJLJJGA-KRWDZBQOSA-N 0 3 275.392 2.523 20 30 CFEDHN CC#CC[C@@H](CO)NCc1c2ccccc2oc1CC ZINC000641769007 384335241 /nfs/dbraw/zinc/33/52/41/384335241.db2.gz NSEXCZHVJGKAIL-ZDUSSCGKSA-N 0 3 271.360 2.859 20 30 CFEDHN C=CCOc1ccccc1CNC(=O)[C@H](N)CCC(C)C ZINC000637994974 384338603 /nfs/dbraw/zinc/33/86/03/384338603.db2.gz ZNGYRGIBCJQLRD-OAHLLOKOSA-N 0 3 290.407 2.631 20 30 CFEDHN N#Cc1ccc(CNCCOCC(F)(F)C(F)F)cc1 ZINC000277517673 384325550 /nfs/dbraw/zinc/32/55/50/384325550.db2.gz SDIZIWIVPQFWNJ-UHFFFAOYSA-N 0 3 290.260 2.565 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccnn1-c1ccccc1C ZINC000641759766 384327071 /nfs/dbraw/zinc/32/70/71/384327071.db2.gz ITXPGWIKFRSACO-OAHLLOKOSA-N 0 3 285.391 2.597 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(F)c2ccccc12 ZINC000641767119 384333693 /nfs/dbraw/zinc/33/36/93/384333693.db2.gz HAHRIEHKFDMRCV-AWEZNQCLSA-N 0 3 271.335 2.843 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C(F)(F)F)cc1 ZINC000641768887 384334589 /nfs/dbraw/zinc/33/45/89/384334589.db2.gz KWTPHQSAQVSPNT-ZDUSSCGKSA-N 0 3 271.282 2.569 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(OCC(C)C)cc1 ZINC000641769060 384334845 /nfs/dbraw/zinc/33/48/45/384334845.db2.gz OUYOXAKXRWTVRH-MRXNPFEDSA-N 0 3 275.392 2.585 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000642103264 384404443 /nfs/dbraw/zinc/40/44/43/384404443.db2.gz JEIJGPPIVPTOGQ-ZDUSSCGKSA-N 0 3 254.418 2.777 20 30 CFEDHN CC#CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000642397555 384432413 /nfs/dbraw/zinc/43/24/13/384432413.db2.gz DSJPOOUZCFBXAJ-KRWDZBQOSA-N 0 3 299.418 2.536 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279402783 384624958 /nfs/dbraw/zinc/62/49/58/384624958.db2.gz ZRJXOTFQYBDJKI-MFKMUULPSA-N 0 3 291.782 2.928 20 30 CFEDHN C=C(C)CN(CCC(=O)N(C)C)Cc1ccccc1 ZINC000279400471 384625027 /nfs/dbraw/zinc/62/50/27/384625027.db2.gz UZVPAEJTNLPOKV-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](c2ccccc2F)C1 ZINC000268567432 384633909 /nfs/dbraw/zinc/63/39/09/384633909.db2.gz QKXSSWLCWJJICC-KGLIPLIRSA-N 0 3 263.356 2.942 20 30 CFEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000278862365 384599447 /nfs/dbraw/zinc/59/94/47/384599447.db2.gz RENZYZCVCPMLDM-UVBJJODRSA-N 0 3 292.354 2.542 20 30 CFEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccccc1OC ZINC000268578859 384636149 /nfs/dbraw/zinc/63/61/49/384636149.db2.gz SPYNRWNLPOKELP-CYBMUJFWSA-N 0 3 263.381 2.847 20 30 CFEDHN C[C@@H](c1ccco1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268682377 384645700 /nfs/dbraw/zinc/64/57/00/384645700.db2.gz MPXCEVWSRYMWLZ-SWLSCSKDSA-N 0 3 270.332 2.878 20 30 CFEDHN C[C@H](c1ccco1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268682375 384646857 /nfs/dbraw/zinc/64/68/57/384646857.db2.gz MPXCEVWSRYMWLZ-IUODEOHRSA-N 0 3 270.332 2.878 20 30 CFEDHN C#CCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000268689549 384648391 /nfs/dbraw/zinc/64/83/91/384648391.db2.gz GVZCNISMTUBAEU-MRXNPFEDSA-N 0 3 261.340 2.830 20 30 CFEDHN C=CCOCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000279573582 384682456 /nfs/dbraw/zinc/68/24/56/384682456.db2.gz TWFZAXBRONIDKO-AWEZNQCLSA-N 0 3 269.772 2.820 20 30 CFEDHN N#Cc1cccc(C2(NC[C@@H](O)c3ccccc3)CC2)c1 ZINC000279595369 384688932 /nfs/dbraw/zinc/68/89/32/384688932.db2.gz DVSKITYCXORRQC-QGZVFWFLSA-N 0 3 278.355 2.871 20 30 CFEDHN COc1ccc(CNC[C@@H](O)c2cccc(C)c2)cc1C#N ZINC000268954766 384700142 /nfs/dbraw/zinc/70/01/42/384700142.db2.gz FTTLADZBGZOIJM-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN C=CCCOCCN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000279679871 384720205 /nfs/dbraw/zinc/72/02/05/384720205.db2.gz HAPJFNKJFNKBKT-HOCLYGCPSA-N 0 3 263.381 2.945 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000279707003 384729730 /nfs/dbraw/zinc/72/97/30/384729730.db2.gz HQTKZZFHTSSWLN-ZBFHGGJFSA-N 0 3 288.391 2.562 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NCc1ccc(C#N)cc1F ZINC000269445021 384760137 /nfs/dbraw/zinc/76/01/37/384760137.db2.gz UPJGEYFCWKWMBQ-KGLIPLIRSA-N 0 3 289.398 2.907 20 30 CFEDHN C[C@H](NCCOc1ncccc1F)c1ccc(C#N)cc1 ZINC000269497104 384768232 /nfs/dbraw/zinc/76/82/32/384768232.db2.gz VKYFHMBQKFSXCC-LBPRGKRZSA-N 0 3 285.322 2.822 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000279849188 384784945 /nfs/dbraw/zinc/78/49/45/384784945.db2.gz RYJMCBUEQOJUAG-PBHICJAKSA-N 0 3 275.367 2.803 20 30 CFEDHN N#Cc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000269608968 384802263 /nfs/dbraw/zinc/80/22/63/384802263.db2.gz DOUBYTYJTGRDOK-MRXNPFEDSA-N 0 3 283.375 2.904 20 30 CFEDHN C#CCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000269847629 384880399 /nfs/dbraw/zinc/88/03/99/384880399.db2.gz GDKNOKIIGZUMLN-CQSZACIVSA-N 0 3 259.324 2.744 20 30 CFEDHN N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000269738277 384856974 /nfs/dbraw/zinc/85/69/74/384856974.db2.gz WISQFPZFCORJTJ-KRWDZBQOSA-N 0 3 297.402 2.581 20 30 CFEDHN C#Cc1ccc(CNC[C@H](O)COc2cccc(C)c2)cc1 ZINC000289269459 197280970 /nfs/dbraw/zinc/28/09/70/197280970.db2.gz NKBGKFRJFWCKND-SFHVURJKSA-N 0 3 295.382 2.506 20 30 CFEDHN C#CCCCCNCc1cnc([C@H]2CCCO2)s1 ZINC000270027561 384948053 /nfs/dbraw/zinc/94/80/53/384948053.db2.gz APLDFMLZLPWYGQ-CYBMUJFWSA-N 0 3 264.394 2.888 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000638876062 385011014 /nfs/dbraw/zinc/01/10/14/385011014.db2.gz XZAVOSBNYRVNBC-HNNXBMFYSA-N 0 3 274.408 2.838 20 30 CFEDHN C=C[C@H](CC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000270264657 385035044 /nfs/dbraw/zinc/03/50/44/385035044.db2.gz YQXOKHUZOKAPAL-OAHLLOKOSA-N 0 3 272.392 2.510 20 30 CFEDHN CC1=C(C)CN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000280496809 385035920 /nfs/dbraw/zinc/03/59/20/385035920.db2.gz BRPMLIHDZUFOHT-INIZCTEOSA-N 0 3 256.349 2.634 20 30 CFEDHN C#CCCN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000270462724 385111870 /nfs/dbraw/zinc/11/18/70/385111870.db2.gz AKSRSDGJAITCOH-UHFFFAOYSA-N 0 3 276.355 2.888 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000280630982 385092247 /nfs/dbraw/zinc/09/22/47/385092247.db2.gz MAXCQZFBHDAZFI-MAZHCROVSA-N 0 3 286.375 2.941 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(C)n1 ZINC000280666966 385107306 /nfs/dbraw/zinc/10/73/06/385107306.db2.gz PNSAOFUEFJCUHR-WCQYABFASA-N 0 3 252.383 2.522 20 30 CFEDHN CCCN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270678887 385188209 /nfs/dbraw/zinc/18/82/09/385188209.db2.gz CCCLRDAWAXEPND-LLVKDONJSA-N 0 3 277.368 2.827 20 30 CFEDHN C=CCOCCN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000645113779 385196230 /nfs/dbraw/zinc/19/62/30/385196230.db2.gz QNFSQOSCRLSMQT-QWRGUYRKSA-N 0 3 251.292 2.852 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCC(C)(C)c2ccccc21 ZINC000280805867 385162303 /nfs/dbraw/zinc/16/23/03/385162303.db2.gz IUWFNHDUZOFSJU-OAHLLOKOSA-N 0 3 272.392 2.691 20 30 CFEDHN C=CCOc1ccc(CNC(C)(C)[C@H](C)O)cc1OC ZINC000270632299 385171053 /nfs/dbraw/zinc/17/10/53/385171053.db2.gz GCSAAGJQCWKDKA-LBPRGKRZSA-N 0 3 279.380 2.509 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000347084666 533110721 /nfs/dbraw/zinc/11/07/21/533110721.db2.gz ZKPXUEHVIOGUJZ-ZFWWWQNUSA-N 0 3 256.349 2.770 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000282150650 385229011 /nfs/dbraw/zinc/22/90/11/385229011.db2.gz CSIHWCNJIMVWHF-WMLDXEAASA-N 0 3 273.376 2.698 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645184246 385229513 /nfs/dbraw/zinc/22/95/13/385229513.db2.gz PBJLGUFPPVGMIK-IUODEOHRSA-N 0 3 289.354 2.599 20 30 CFEDHN COCC#CCN1Cc2cc(C)ccc2CC1(C)C ZINC000645233127 385257434 /nfs/dbraw/zinc/25/74/34/385257434.db2.gz GHVCFOPEOBNJNJ-UHFFFAOYSA-N 0 3 257.377 2.782 20 30 CFEDHN Cc1nccn1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000270870038 385252982 /nfs/dbraw/zinc/25/29/82/385252982.db2.gz UDYCNVQVKSIRCG-UHFFFAOYSA-N 0 3 280.375 2.728 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@](C)(OC)C1CC1 ZINC000639163023 385266252 /nfs/dbraw/zinc/26/62/52/385266252.db2.gz WEIKOEIAQHYLJM-QGZVFWFLSA-N 0 3 293.407 2.965 20 30 CFEDHN C#CCCCN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000271059616 385324621 /nfs/dbraw/zinc/32/46/21/385324621.db2.gz SEIDEGNCBYEHAU-UHFFFAOYSA-N 0 3 295.329 2.743 20 30 CFEDHN C#CCCCN1CCN(c2ccccc2OCC)CC1 ZINC000270971637 385286736 /nfs/dbraw/zinc/28/67/36/385286736.db2.gz AUDHBINXFQSHLK-UHFFFAOYSA-N 0 3 272.392 2.621 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccc(OC)cc1)C(C)C ZINC000289085712 197230776 /nfs/dbraw/zinc/23/07/76/197230776.db2.gz BFAXBXUVKZOVAD-MRXNPFEDSA-N 0 3 283.375 2.833 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282533520 385336215 /nfs/dbraw/zinc/33/62/15/385336215.db2.gz VHTBBWIPCPYVFL-OWLYRPNTSA-N 0 3 296.414 2.535 20 30 CFEDHN C=C(C)CCNCc1cnn2cc(Br)cnc12 ZINC000639228514 385354578 /nfs/dbraw/zinc/35/45/78/385354578.db2.gz XYNJPCBFPQCLMC-UHFFFAOYSA-N 0 3 295.184 2.548 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC000347035808 533115841 /nfs/dbraw/zinc/11/58/41/533115841.db2.gz LIIVWANTJRPXLQ-UWVGGRQHSA-N 0 3 273.361 2.503 20 30 CFEDHN COc1cc(CN[C@@H]2CSC2(C)C)ccc1C#N ZINC000282672583 385367567 /nfs/dbraw/zinc/36/75/67/385367567.db2.gz JQVNCNHDDJEMMN-CYBMUJFWSA-N 0 3 262.378 2.550 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(Cl)cc(Cl)c1N ZINC000639238946 385369704 /nfs/dbraw/zinc/36/97/04/385369704.db2.gz QEMZWISIMVVFBN-LLVKDONJSA-N 0 3 289.206 2.992 20 30 CFEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1ccsc1 ZINC000271598140 385386357 /nfs/dbraw/zinc/38/63/57/385386357.db2.gz UDAQSKDCLCFOMM-AWEZNQCLSA-N 0 3 291.420 2.647 20 30 CFEDHN COc1cc([C@@H](C)NCCCC#N)cc(OC)c1OC ZINC000271795012 385392722 /nfs/dbraw/zinc/39/27/22/385392722.db2.gz RELAEOKGNNZYSV-LLVKDONJSA-N 0 3 278.352 2.667 20 30 CFEDHN C[C@H](NCCN(C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000271831473 385393987 /nfs/dbraw/zinc/39/39/87/385393987.db2.gz DWJHZHOXFVHWBY-NSHDSACASA-N 0 3 285.313 2.703 20 30 CFEDHN C=C1CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283029114 385425411 /nfs/dbraw/zinc/42/54/11/385425411.db2.gz HMPDSZFKGXATHW-MRXNPFEDSA-N 0 3 284.403 2.801 20 30 CFEDHN COC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000271928911 385403487 /nfs/dbraw/zinc/40/34/87/385403487.db2.gz HEPQZFMDXIPDPA-ZUZCIYMTSA-N 0 3 262.328 2.773 20 30 CFEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000271928906 385403712 /nfs/dbraw/zinc/40/37/12/385403712.db2.gz HEPQZFMDXIPDPA-BONVTDFDSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@@H](NCc1ccn(C)c1)c1ccc(C#N)c(F)c1 ZINC000271947766 385407956 /nfs/dbraw/zinc/40/79/56/385407956.db2.gz NVTDNTOOZOIIHF-LLVKDONJSA-N 0 3 257.312 2.887 20 30 CFEDHN C=CCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000282910828 385409287 /nfs/dbraw/zinc/40/92/87/385409287.db2.gz XRZQIWBQSRDIIA-UHFFFAOYSA-N 0 3 264.344 2.532 20 30 CFEDHN CCC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271977312 385416876 /nfs/dbraw/zinc/41/68/76/385416876.db2.gz VYDMAJBBNOAOBC-IAQYHMDHSA-N 0 3 264.344 2.899 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000347085542 533117414 /nfs/dbraw/zinc/11/74/14/533117414.db2.gz ZUHZHUBLVOZFRX-GXSJLCMTSA-N 0 3 270.254 2.956 20 30 CFEDHN C#CCCN1CCN(Cc2cc(C)nc3ccccc23)CC1 ZINC000272060116 385438858 /nfs/dbraw/zinc/43/88/58/385438858.db2.gz WIJJNWDSKITDHW-UHFFFAOYSA-N 0 3 293.414 2.684 20 30 CFEDHN C=CCN(CCCn1ccnc1C)CCc1ccco1 ZINC000272262291 385491497 /nfs/dbraw/zinc/49/14/97/385491497.db2.gz KDCHCJNSLGITMZ-UHFFFAOYSA-N 0 3 273.380 2.905 20 30 CFEDHN CC1(C)CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000284065499 385530859 /nfs/dbraw/zinc/53/08/59/385530859.db2.gz AMSSIXOXICYJSG-CVEARBPZSA-N 0 3 297.402 2.832 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCCN2CCC[C@H](C)C2)c1 ZINC000272502962 385554532 /nfs/dbraw/zinc/55/45/32/385554532.db2.gz LQEQURKKHGDUDH-ZDUSSCGKSA-N 0 3 285.391 2.905 20 30 CFEDHN C[C@H](CNc1cc(C#N)ccn1)N1CCc2ccccc2C1 ZINC000286184140 385568890 /nfs/dbraw/zinc/56/88/90/385568890.db2.gz QLQPOPNSAWLHIV-CQSZACIVSA-N 0 3 292.386 2.812 20 30 CFEDHN N#Cc1cccc(C2(NCc3ccc(CO)cc3)CC2)c1 ZINC000272598679 385573120 /nfs/dbraw/zinc/57/31/20/385573120.db2.gz YDQNQRZZXDOLSA-UHFFFAOYSA-N 0 3 278.355 2.829 20 30 CFEDHN C=CCC[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1ccco1 ZINC000286369427 385599515 /nfs/dbraw/zinc/59/95/15/385599515.db2.gz ADADNVCMWYNRAM-KKUMJFAQSA-N 0 3 279.380 2.522 20 30 CFEDHN C=CCC[C@H](N[C@H](C)[C@@H](CO)SC)c1ccco1 ZINC000286378102 385603326 /nfs/dbraw/zinc/60/33/26/385603326.db2.gz ZWXFSEBOKTVVIA-MBNYWOFBSA-N 0 3 269.410 2.989 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1cc[nH]c(=O)c1 ZINC000639570598 385587812 /nfs/dbraw/zinc/58/78/12/385587812.db2.gz BMLSNTXJGWMXKQ-UHFFFAOYSA-N 0 3 258.321 2.611 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(C)cc1C ZINC000272848511 385632791 /nfs/dbraw/zinc/63/27/91/385632791.db2.gz KPVNCKPSYBMOGM-CQSZACIVSA-N 0 3 281.421 2.555 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](C)c1cc(C)c(C)cc1C ZINC000272882692 385640640 /nfs/dbraw/zinc/64/06/40/385640640.db2.gz QYGCCDJTWGENKE-OAHLLOKOSA-N 0 3 295.448 2.863 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)s1 ZINC000288705973 197148897 /nfs/dbraw/zinc/14/88/97/197148897.db2.gz YYPXEDMGMLDNML-LBPRGKRZSA-N 0 3 288.347 2.852 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCc2cccc(C)c2)C1=O ZINC000281195354 195144944 /nfs/dbraw/zinc/14/49/44/195144944.db2.gz CAGAUCVENJLBQQ-KRWDZBQOSA-N 0 3 286.419 2.646 20 30 CFEDHN C#CCCN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000286584332 385657115 /nfs/dbraw/zinc/65/71/15/385657115.db2.gz VLTAKFLAVMUWCA-AWEZNQCLSA-N 0 3 259.349 2.562 20 30 CFEDHN CN(CCCN(C)c1cc(C#N)ccn1)Cc1ccco1 ZINC000286699233 385689314 /nfs/dbraw/zinc/68/93/14/385689314.db2.gz ZKROPMPFANZMSK-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN C=CCCCCCN[C@@H](c1nccn1C)C(C)(C)CO ZINC000639773925 385700874 /nfs/dbraw/zinc/70/08/74/385700874.db2.gz XESRIJCJXNQZGF-AWEZNQCLSA-N 0 3 279.428 2.816 20 30 CFEDHN C=CCCN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639773411 385701689 /nfs/dbraw/zinc/70/16/89/385701689.db2.gz OWYROKGHNQWYFS-GFCCVEGCSA-N 0 3 297.196 2.873 20 30 CFEDHN CC#CCCN1CCC(Oc2cc(C)ccn2)CC1 ZINC000274071626 385713699 /nfs/dbraw/zinc/71/36/99/385713699.db2.gz CGIQRXVGZOIYSH-UHFFFAOYSA-N 0 3 258.365 2.647 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(OC)ncc1F ZINC000286993012 385758062 /nfs/dbraw/zinc/75/80/62/385758062.db2.gz JRUFWKARHJXHRB-HSMVNMDESA-N 0 3 294.370 2.861 20 30 CFEDHN C#CCN(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000274116174 385723196 /nfs/dbraw/zinc/72/31/96/385723196.db2.gz ZDLBIWXZHIUWTH-UHFFFAOYSA-N 0 3 296.414 2.523 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Cc2nccs2)CC1 ZINC000639984039 385805050 /nfs/dbraw/zinc/80/50/50/385805050.db2.gz FXPYPBFEXYFMPH-CQSZACIVSA-N 0 3 280.437 2.725 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCF)CC1 ZINC000639987771 385808249 /nfs/dbraw/zinc/80/82/49/385808249.db2.gz QADULXIOWVBUQD-CQSZACIVSA-N 0 3 282.403 2.647 20 30 CFEDHN C=CCCCCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000274529104 385819203 /nfs/dbraw/zinc/81/92/03/385819203.db2.gz CYTLQATXEAROKK-UHFFFAOYSA-N 0 3 279.428 2.682 20 30 CFEDHN C[C@H]1[C@@H](NCc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000288572950 197116153 /nfs/dbraw/zinc/11/61/53/197116153.db2.gz ZVDLYAAHGZOKKL-KSSFIOAISA-N 0 3 295.386 2.904 20 30 CFEDHN C=C(C)CCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000274788141 385871310 /nfs/dbraw/zinc/87/13/10/385871310.db2.gz NBKWDNBWLADDQA-KRWDZBQOSA-N 0 3 251.395 2.822 20 30 CFEDHN C=CCCN(C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000276413277 385988013 /nfs/dbraw/zinc/98/80/13/385988013.db2.gz LUUVVNMYCXDUNY-UHFFFAOYSA-N 0 3 251.301 2.620 20 30 CFEDHN Cc1nsc(NC[C@H](C(C)C)N2CCCC2)c1C#N ZINC000288141815 197013261 /nfs/dbraw/zinc/01/32/61/197013261.db2.gz NLNBMLNKYWJSBB-CYBMUJFWSA-N 0 3 278.425 2.856 20 30 CFEDHN COCC#CCN1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000681099717 542411756 /nfs/dbraw/zinc/41/17/56/542411756.db2.gz YZMJUDVHZZBVHA-UHFFFAOYSA-N 0 3 293.357 2.869 20 30 CFEDHN CCC#C[C@H](C)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000681464892 542453217 /nfs/dbraw/zinc/45/32/17/542453217.db2.gz CILAJUIUPAAKPF-HNNXBMFYSA-N 0 3 289.394 2.997 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H](C)Cc2ccccc2)C1=O ZINC000281263225 195171878 /nfs/dbraw/zinc/17/18/78/195171878.db2.gz NIDCYYIKYQBRAN-WBVHZDCISA-N 0 3 286.419 2.584 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](CC)c2ccccc2)C1=O ZINC000281338184 195202290 /nfs/dbraw/zinc/20/22/90/195202290.db2.gz WFXTZOXENLZDHU-GJZGRUSLSA-N 0 3 258.365 2.514 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC[C@@H](C)c2ccccc2)C1=O ZINC000281388279 195220318 /nfs/dbraw/zinc/22/03/18/195220318.db2.gz WQCUTTJMZAHSGM-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C(C)CCN1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682037004 542509648 /nfs/dbraw/zinc/50/96/48/542509648.db2.gz CMFKGKRECRQMGP-NSHDSACASA-N 0 3 251.292 2.996 20 30 CFEDHN C=C(C)CN1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000363656198 260012559 /nfs/dbraw/zinc/01/25/59/260012559.db2.gz KANTZWYTZAXOBP-CQSZACIVSA-N 0 3 273.380 2.617 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186802735 260011899 /nfs/dbraw/zinc/01/18/99/260011899.db2.gz VFTHYCLXNYYUKB-UHFFFAOYSA-N 0 3 272.392 2.994 20 30 CFEDHN C=CCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187167424 260028391 /nfs/dbraw/zinc/02/83/91/260028391.db2.gz JDYQVZCUQLVBKX-XJKSGUPXSA-N 0 3 260.381 2.760 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)CC1(CC(=O)OC)CC1 ZINC000281555701 195286032 /nfs/dbraw/zinc/28/60/32/195286032.db2.gz ZMDRKDIPHSQUFW-UHFFFAOYSA-N 0 3 298.386 2.890 20 30 CFEDHN COc1cc(CNCc2ccc([C@@H](C)O)cc2)ccc1C#N ZINC000281589688 195298722 /nfs/dbraw/zinc/29/87/22/195298722.db2.gz DZLHTVBNEQUPIF-CYBMUJFWSA-N 0 3 296.370 2.910 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCC#Cc1ccccc1 ZINC000683022202 542629782 /nfs/dbraw/zinc/62/97/82/542629782.db2.gz DZZGBCKLGNZAKU-LPHOPBHVSA-N 0 3 279.383 2.792 20 30 CFEDHN CN(CC#Cc1ccccc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000373817587 393473454 /nfs/dbraw/zinc/47/34/54/393473454.db2.gz AVGIDRKKHNOXAG-ZACQAIPSSA-N 0 3 269.388 2.783 20 30 CFEDHN CC(C)(C#N)CCCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000373810469 393473675 /nfs/dbraw/zinc/47/36/75/393473675.db2.gz LWQSLBRZCZYHQJ-QGZVFWFLSA-N 0 3 294.439 2.976 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(n2ccnc2)CC1 ZINC000186252881 393541497 /nfs/dbraw/zinc/54/14/97/393541497.db2.gz AJGRYRMEBSOJOU-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccsc3)C[C@H]2C)C1=O ZINC000374162187 393485966 /nfs/dbraw/zinc/48/59/66/393485966.db2.gz NKUSQMRPRJLVKN-YUELXQCFSA-N 0 3 290.432 2.713 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000308341250 393516373 /nfs/dbraw/zinc/51/63/73/393516373.db2.gz ITZFFOIWQHAWFW-LSDHHAIUSA-N 0 3 256.349 2.605 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(OCc2ccccn2)c1 ZINC000184274256 393526323 /nfs/dbraw/zinc/52/63/23/393526323.db2.gz LVSHFGLYDFHPIJ-INIZCTEOSA-N 0 3 298.386 2.687 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000377023497 393528068 /nfs/dbraw/zinc/52/80/68/393528068.db2.gz ADESHBSIBHSKQF-MJGOQNOKSA-N 0 3 292.382 2.944 20 30 CFEDHN C[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)N(C)C1CC1 ZINC000329471868 393537273 /nfs/dbraw/zinc/53/72/73/393537273.db2.gz ZUMNGOPHOWALHB-NEPJUHHUSA-N 0 3 281.400 2.572 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@H]1CNc2ccnn2C1 ZINC000684195268 542774428 /nfs/dbraw/zinc/77/44/28/542774428.db2.gz MCMCAUXSERZWPL-ZDUSSCGKSA-N 0 3 288.420 2.675 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)Cc1ccn(C)c(=O)c1 ZINC000684208668 542777274 /nfs/dbraw/zinc/77/72/74/542777274.db2.gz QKIYGKHDAUOLNW-UHFFFAOYSA-N 0 3 282.387 2.964 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000331443939 393556426 /nfs/dbraw/zinc/55/64/26/393556426.db2.gz SRGLDBPRUWNFLW-KEYYUXOJSA-N 0 3 291.439 2.551 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCN(C3CCCCC3)CC2)C1 ZINC000334205620 393579771 /nfs/dbraw/zinc/57/97/71/393579771.db2.gz YCZMCGNEWLUXPD-HOCLYGCPSA-N 0 3 261.413 2.629 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000334229347 393583096 /nfs/dbraw/zinc/58/30/96/393583096.db2.gz IDRTXEYJMGURMB-BPKFXHHPSA-N 0 3 254.333 2.850 20 30 CFEDHN CC(=O)N1CCN([C@@H]2CC[C@H](C#N)C2)CC12CCCCC2 ZINC000334282304 393588954 /nfs/dbraw/zinc/58/89/54/393588954.db2.gz YDJSROKSVXIKET-JKSUJKDBSA-N 0 3 289.423 2.546 20 30 CFEDHN CCN(CC)CC(=O)N(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000075682551 393677205 /nfs/dbraw/zinc/67/72/05/393677205.db2.gz PUTIWIZFVHHJJX-CQSZACIVSA-N 0 3 287.407 2.810 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000335077617 393638961 /nfs/dbraw/zinc/63/89/61/393638961.db2.gz UQGGYKRPPLUXFW-STQMWFEESA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCN(C)Cc1cccc(I)c1 ZINC000336650509 393744599 /nfs/dbraw/zinc/74/45/99/393744599.db2.gz IKACZDHGABIIFU-UHFFFAOYSA-N 0 3 287.144 2.909 20 30 CFEDHN CCN(CCC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000411749169 393745220 /nfs/dbraw/zinc/74/52/20/393745220.db2.gz UWEMQHNYYHGTQA-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCCOCC1 ZINC000335681994 393689040 /nfs/dbraw/zinc/68/90/40/393689040.db2.gz QFWYAJBRFTUHIP-UHFFFAOYSA-N 0 3 258.365 2.710 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000335681200 393689626 /nfs/dbraw/zinc/68/96/26/393689626.db2.gz MWHXLUVHWNAZDV-BDAKNGLRSA-N 0 3 260.268 2.909 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000194374408 393691946 /nfs/dbraw/zinc/69/19/46/393691946.db2.gz MHFANRQPRCPQLJ-YCPHGPKFSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)(C#N)CCN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411924739 393758469 /nfs/dbraw/zinc/75/84/69/393758469.db2.gz MNXDVTJEBCFTPQ-HUUCEWRRSA-N 0 3 258.365 2.734 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C)C1 ZINC000077247057 393696826 /nfs/dbraw/zinc/69/68/26/393696826.db2.gz IVHOMYDMKDZQIV-ZDUSSCGKSA-N 0 3 274.364 2.678 20 30 CFEDHN N#CC1(CN2CCC3(CCC(O)CC3)CC2)CCC1 ZINC000336268910 393726221 /nfs/dbraw/zinc/72/62/21/393726221.db2.gz XDSTXQHYTRPJAY-UHFFFAOYSA-N 0 3 262.397 2.697 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000336338477 393729592 /nfs/dbraw/zinc/72/95/92/393729592.db2.gz SNVJBPFYMMEFBO-TZMCWYRMSA-N 0 3 254.333 2.900 20 30 CFEDHN CCN(Cc1ccc(C(=O)N[C@H](C)CC#N)cc1)C1CC1 ZINC000338096239 393774387 /nfs/dbraw/zinc/77/43/87/393774387.db2.gz RYLHKLAABHJTIB-CYBMUJFWSA-N 0 3 285.391 2.703 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN(C)CCC ZINC000412840592 393774787 /nfs/dbraw/zinc/77/47/87/393774787.db2.gz NSRPSZKZUQWZMJ-INIZCTEOSA-N 0 3 274.408 2.632 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000412972013 393776734 /nfs/dbraw/zinc/77/67/34/393776734.db2.gz SVXJQQJVTPIWQW-MNOVXSKESA-N 0 3 287.338 2.524 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@H](CC)N(C)C ZINC000413095372 393779575 /nfs/dbraw/zinc/77/95/75/393779575.db2.gz MSRMDBDMBOMVDA-ZDUSSCGKSA-N 0 3 266.410 2.603 20 30 CFEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000338423660 393786937 /nfs/dbraw/zinc/78/69/37/393786937.db2.gz MPNTYZMSCCUIPW-CVEARBPZSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCN(CCc1ccco1)CCC(C)(C)C(=O)OC ZINC000338571686 393792359 /nfs/dbraw/zinc/79/23/59/393792359.db2.gz XWWXUXBKNUERCO-UHFFFAOYSA-N 0 3 279.380 2.899 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CCCC2)c(F)c1 ZINC000413944281 393792449 /nfs/dbraw/zinc/79/24/49/393792449.db2.gz ZJJNHRJNKSWAMC-UHFFFAOYSA-N 0 3 289.354 2.910 20 30 CFEDHN COCC[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000413885572 393792495 /nfs/dbraw/zinc/79/24/95/393792495.db2.gz ZXGOTNLIUWIBNE-ZBFHGGJFSA-N 0 3 288.391 2.548 20 30 CFEDHN N#CC(C(=O)Nc1cccnc1)c1nc2ccccc2s1 ZINC000338623215 393794618 /nfs/dbraw/zinc/79/46/18/393794618.db2.gz BRHYOEFMPCYKLV-LLVKDONJSA-N 0 3 294.339 2.937 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338663337 393795735 /nfs/dbraw/zinc/79/57/35/393795735.db2.gz OGEZIELCTMNWKV-GDBMZVCRSA-N 0 3 272.392 2.904 20 30 CFEDHN CCOCCN(C)Cc1ccccc1C(C)(C)C#N ZINC000093312149 393797769 /nfs/dbraw/zinc/79/77/69/393797769.db2.gz FMUHYJAMPGAVON-UHFFFAOYSA-N 0 3 260.381 2.956 20 30 CFEDHN CC(C)NC(=O)[C@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000414342225 393799711 /nfs/dbraw/zinc/79/97/11/393799711.db2.gz LYHTUKHPRFILGE-GUYCJALGSA-N 0 3 299.418 2.828 20 30 CFEDHN Cc1ccccc1CN(CCOCCC#N)C1CC1 ZINC000338934690 393805410 /nfs/dbraw/zinc/80/54/10/393805410.db2.gz UFIKEWYWIBMDLE-UHFFFAOYSA-N 0 3 258.365 2.890 20 30 CFEDHN COc1ccccc1[C@@H]1CCCN1CCOCCC#N ZINC000338959096 393807118 /nfs/dbraw/zinc/80/71/18/393807118.db2.gz AJLKZLCSDOLXFI-HNNXBMFYSA-N 0 3 274.364 2.762 20 30 CFEDHN CN(CCN(C)[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000338983532 393809042 /nfs/dbraw/zinc/80/90/42/393809042.db2.gz ZKXINPSMGHQKQC-GOEBONIOSA-N 0 3 257.381 2.747 20 30 CFEDHN C=CCOCCN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000339045439 393812242 /nfs/dbraw/zinc/81/22/42/393812242.db2.gz UXUZNABRLDDRDW-CJNGLKHVSA-N 0 3 261.365 2.513 20 30 CFEDHN C=CCOCCN(CCc1nccs1)C(C)C ZINC000339051779 393814189 /nfs/dbraw/zinc/81/41/89/393814189.db2.gz DXQXRRRTJKNPJZ-UHFFFAOYSA-N 0 3 254.399 2.599 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000339065109 393814993 /nfs/dbraw/zinc/81/49/93/393814993.db2.gz HNHZAZKNYMCUAZ-LOWVWBTDSA-N 0 3 258.321 2.758 20 30 CFEDHN C[C@H](CNC(=O)c1cccc(CC#N)c1)N1CCCC[C@@H]1C ZINC000343070534 393879250 /nfs/dbraw/zinc/87/92/50/393879250.db2.gz DQXPRFAXRBYFQA-LSDHHAIUSA-N 0 3 299.418 2.745 20 30 CFEDHN C=CC[C@H](C(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000426831617 393890416 /nfs/dbraw/zinc/89/04/16/393890416.db2.gz FQWOBYSJXNYKII-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000427498998 393893308 /nfs/dbraw/zinc/89/33/08/393893308.db2.gz ZFYFORFUNLLMCU-UAGQMJEPSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCCCC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346242063 393924402 /nfs/dbraw/zinc/92/44/02/393924402.db2.gz RGKSRROHHKHFLL-RBSFLKMASA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346272683 393925268 /nfs/dbraw/zinc/92/52/68/393925268.db2.gz ZOWLAIHSIQWLPM-CQSZACIVSA-N 0 3 277.412 2.616 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000348311006 393951436 /nfs/dbraw/zinc/95/14/36/393951436.db2.gz YJURRQXMBNFRLF-HOTGVXAUSA-N 0 3 286.419 2.783 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000121112072 393948827 /nfs/dbraw/zinc/94/88/27/393948827.db2.gz DLIUHYBCGKKDHF-AWEZNQCLSA-N 0 3 254.418 2.918 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000348249513 393950036 /nfs/dbraw/zinc/95/00/36/393950036.db2.gz XHFGWYZLPKMRSW-ZNMIVQPWSA-N 0 3 253.386 2.611 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000121162971 393950148 /nfs/dbraw/zinc/95/01/48/393950148.db2.gz QXBUQBQOSUSCOE-ZDUSSCGKSA-N 0 3 276.380 2.920 20 30 CFEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000418135217 394017753 /nfs/dbraw/zinc/01/77/53/394017753.db2.gz QVRLVNFQVWAYEG-FRRDWIJNSA-N 0 3 268.364 2.682 20 30 CFEDHN Cc1nc(N(CCN(C)C)C2CCCC2)ccc1C#N ZINC000487748147 394021815 /nfs/dbraw/zinc/02/18/15/394021815.db2.gz JZJVMTRDFXZALU-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN C=C(C[NH2+]Cc1nc(C)ccc1[O-])c1ccccc1 ZINC000348796266 393958601 /nfs/dbraw/zinc/95/86/01/393958601.db2.gz GJKGJNJBEJPPTC-UHFFFAOYSA-N 0 3 254.333 2.899 20 30 CFEDHN C=CCN(CC=C)C(=O)CCN1CCc2ccccc2C1 ZINC000348973937 393961441 /nfs/dbraw/zinc/96/14/41/393961441.db2.gz VGFBYNDCXVGLQF-UHFFFAOYSA-N 0 3 284.403 2.635 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)N[C@H](C)CN(C)C)c1 ZINC000349250952 393965623 /nfs/dbraw/zinc/96/56/23/393965623.db2.gz WFRDMKMUZPYJCL-CYBMUJFWSA-N 0 3 291.395 2.713 20 30 CFEDHN CC1=C[C@@H](C)CN(CCOc2cccc(C#N)c2)C1 ZINC000430273743 393976898 /nfs/dbraw/zinc/97/68/98/393976898.db2.gz FOJYZRQBNWIUKJ-CYBMUJFWSA-N 0 3 256.349 2.835 20 30 CFEDHN CCN(CCCC#N)[C@H](COC)Cc1ccccc1 ZINC000350509719 393978026 /nfs/dbraw/zinc/97/80/26/393978026.db2.gz GJZPGDFMZRZTAL-INIZCTEOSA-N 0 3 260.381 2.870 20 30 CFEDHN C[C@@H](NCCc1ccccn1)c1ccc(C#N)c(F)c1 ZINC000271905766 394024502 /nfs/dbraw/zinc/02/45/02/394024502.db2.gz BXKHIEKTEHRQHP-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@H](CCC#N)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000351226109 393983061 /nfs/dbraw/zinc/98/30/61/393983061.db2.gz MGKXOFHYCVVZRH-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN CC[C@@H](C#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000123749758 393986940 /nfs/dbraw/zinc/98/69/40/393986940.db2.gz YRAIENPTPJNPMM-NSHDSACASA-N 0 3 285.347 2.526 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@H](Nc2nc3c(cc2C#N)CCC3)C1 ZINC000268261329 393991221 /nfs/dbraw/zinc/99/12/21/393991221.db2.gz RLJGVSXOSFTGDI-MLGOLLRUSA-N 0 3 284.407 2.583 20 30 CFEDHN N#Cc1ccc(CN2CCN(CC3CCCCC3)CC2)o1 ZINC000126993043 394039970 /nfs/dbraw/zinc/03/99/70/394039970.db2.gz PEEPTUVGMCJWKZ-UHFFFAOYSA-N 0 3 287.407 2.849 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490301893 394043660 /nfs/dbraw/zinc/04/36/60/394043660.db2.gz RCDCVPWBWPNPPM-XUWVNRHRSA-N 0 3 293.455 2.713 20 30 CFEDHN C#C[C@H](NCCC(=O)Nc1cccc(F)c1C)C(C)C ZINC000491484763 394052155 /nfs/dbraw/zinc/05/21/55/394052155.db2.gz KTWSPNCZEBLLDE-AWEZNQCLSA-N 0 3 276.355 2.710 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437301084 394052439 /nfs/dbraw/zinc/05/24/39/394052439.db2.gz CQVSXSWMLIHGEK-KPXOXKRLSA-N 0 3 293.164 2.581 20 30 CFEDHN C#C[C@H](C)N(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491544890 394052694 /nfs/dbraw/zinc/05/26/94/394052694.db2.gz NZABOZFDQIYSDV-KBPBESRZSA-N 0 3 280.412 2.587 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000276900772 394053090 /nfs/dbraw/zinc/05/30/90/394053090.db2.gz HSNODKMHVTZUDM-GFCCVEGCSA-N 0 3 279.343 2.778 20 30 CFEDHN C[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)CC(C)(C)C ZINC000355412818 394064846 /nfs/dbraw/zinc/06/48/46/394064846.db2.gz UFGDQRORBIZEQK-KBPBESRZSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CCN(CC[C@@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000437687003 394068591 /nfs/dbraw/zinc/06/85/91/394068591.db2.gz LTYCWEGAUKMNDJ-OAHLLOKOSA-N 0 3 270.376 2.973 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(CC)o2)CC1 ZINC000492586350 394072042 /nfs/dbraw/zinc/07/20/42/394072042.db2.gz FYUCEURAASCNDI-FPLPWBNLSA-N 0 3 288.391 2.622 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2C)C2CC2)C1=O ZINC000281886371 394088903 /nfs/dbraw/zinc/08/89/03/394088903.db2.gz DLBWOGZANYQRFE-SJORKVTESA-N 0 3 284.403 2.823 20 30 CFEDHN Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000272982272 394032306 /nfs/dbraw/zinc/03/23/06/394032306.db2.gz DGVSLFMOBGZXNB-MRXNPFEDSA-N 0 3 292.386 2.948 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCC[C@H]1SCC ZINC000286001581 394177488 /nfs/dbraw/zinc/17/74/88/394177488.db2.gz GICVZQGCGPQYCH-RRFJBIMHSA-N 0 3 296.480 2.839 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000130337402 394109062 /nfs/dbraw/zinc/10/90/62/394109062.db2.gz BKJUZODRLKPENH-JKSUJKDBSA-N 0 3 288.391 2.692 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000358904399 394115477 /nfs/dbraw/zinc/11/54/77/394115477.db2.gz IUKRZMNKWWNNCT-WQHBLYJGSA-N 0 3 296.729 2.585 20 30 CFEDHN CCC(CC)CN(CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000358930143 394116431 /nfs/dbraw/zinc/11/64/31/394116431.db2.gz DXKAIEGLKCYYCM-AWEZNQCLSA-N 0 3 281.444 2.753 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cccnc2C)CC1 ZINC000493019081 394125658 /nfs/dbraw/zinc/12/56/58/394125658.db2.gz KXGPQUCFHTVABB-VOTSOKGWSA-N 0 3 299.418 2.560 20 30 CFEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N(CC)CC ZINC000359172955 394125936 /nfs/dbraw/zinc/12/59/36/394125936.db2.gz XLCCXKAVUAHHHS-GJZGRUSLSA-N 0 3 291.370 2.627 20 30 CFEDHN CC[C@@H](N[C@H](CCO)CSC)c1ccc(C#N)cc1 ZINC000447542218 394151617 /nfs/dbraw/zinc/15/16/17/394151617.db2.gz IKFOMKAIUOKFHP-HUUCEWRRSA-N 0 3 278.421 2.713 20 30 CFEDHN CC[C@H](C)N[C@H](CNC(=O)CCCC#N)c1ccco1 ZINC000360620950 394155904 /nfs/dbraw/zinc/15/59/04/394155904.db2.gz PAQQBRPRNIUTJQ-QWHCGFSZSA-N 0 3 277.368 2.519 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC3CCC2CC3)CC1 ZINC000360808446 394159917 /nfs/dbraw/zinc/15/99/17/394159917.db2.gz CNKCKPFOCCQLQQ-UHFFFAOYSA-N 0 3 291.439 2.611 20 30 CFEDHN CC1(C)[C@H](O)CCN1Cc1cccc(OCCCC#N)c1 ZINC000361066045 394163731 /nfs/dbraw/zinc/16/37/31/394163731.db2.gz MSJIUXLKWKHTRU-MRXNPFEDSA-N 0 3 288.391 2.714 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCc1ccc(C#N)c(F)c1 ZINC000421364912 394202091 /nfs/dbraw/zinc/20/20/91/394202091.db2.gz PXOIWBAXLHKNPG-UHFFFAOYSA-N 0 3 292.354 2.909 20 30 CFEDHN C#Cc1ccc(CN[C@]2(CO)CCCc3ccccc32)cc1 ZINC000289064134 394214741 /nfs/dbraw/zinc/21/47/41/394214741.db2.gz ARVNGBZHZATJTM-FQEVSTJZSA-N 0 3 291.394 2.982 20 30 CFEDHN COCC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000449126803 394221770 /nfs/dbraw/zinc/22/17/70/394221770.db2.gz NELYVAXCMNZKSG-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(Br)nc1 ZINC000290052302 394225667 /nfs/dbraw/zinc/22/56/67/394225667.db2.gz CBRLYTMLMRMQNZ-SECBINFHSA-N 0 3 268.158 2.798 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H](c2ncc(C)s2)C1 ZINC000366180615 394240696 /nfs/dbraw/zinc/24/06/96/394240696.db2.gz WDGRMARKRFPIJY-KGLIPLIRSA-N 0 3 280.437 2.958 20 30 CFEDHN CN1CCC[C@@H]2CN(c3nc(Cl)c(C#N)s3)CC[C@H]21 ZINC000286117610 394193299 /nfs/dbraw/zinc/19/32/99/394193299.db2.gz GMJZMFKSCIMZEU-NXEZZACHSA-N 0 3 296.827 2.589 20 30 CFEDHN CC(C)[C@@H](O)C(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000421346512 394193679 /nfs/dbraw/zinc/19/36/79/394193679.db2.gz ZDHBWBFTQOZWSB-OAHLLOKOSA-N 0 3 278.371 2.830 20 30 CFEDHN C#CCCN1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 ZINC000372269638 394309237 /nfs/dbraw/zinc/30/92/37/394309237.db2.gz DGBFPUPPECGBBM-CZUORRHYSA-N 0 3 273.380 2.570 20 30 CFEDHN C=CCN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155102371 394310543 /nfs/dbraw/zinc/31/05/43/394310543.db2.gz ZQBFVRUMXUROIO-CYBMUJFWSA-N 0 3 276.380 2.766 20 30 CFEDHN CC#CCCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000155907716 394325762 /nfs/dbraw/zinc/32/57/62/394325762.db2.gz VOQOVFQKECIFHE-KRWDZBQOSA-N 0 3 284.403 2.684 20 30 CFEDHN CC#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000155907598 394325962 /nfs/dbraw/zinc/32/59/62/394325962.db2.gz VOQOVFQKECIFHE-QGZVFWFLSA-N 0 3 284.403 2.684 20 30 CFEDHN CC#CCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000155944636 394325990 /nfs/dbraw/zinc/32/59/90/394325990.db2.gz BUEWSQOWAFZBHM-INIZCTEOSA-N 0 3 284.403 2.542 20 30 CFEDHN COc1cccc(COCCNCc2cccc(C#N)c2)c1 ZINC000158669699 394359842 /nfs/dbraw/zinc/35/98/42/394359842.db2.gz CDBSWQJGUVIYLU-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN C[C@@H]1CCN(CCCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000516648470 394370057 /nfs/dbraw/zinc/37/00/57/394370057.db2.gz XBXHEXATWORHES-OLZOCXBDSA-N 0 3 266.385 2.590 20 30 CFEDHN N#C[C@@H]1CC[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000516706552 394370201 /nfs/dbraw/zinc/37/02/01/394370201.db2.gz ZQKDBCSPZCWHEQ-RHSMWYFYSA-N 0 3 299.418 2.747 20 30 CFEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000451293971 394374431 /nfs/dbraw/zinc/37/44/31/394374431.db2.gz XEATUBNKNLHLHE-SJORKVTESA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000451293969 394374463 /nfs/dbraw/zinc/37/44/63/394374463.db2.gz XEATUBNKNLHLHE-IAGOWNOFSA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](OC)C(C)(C)C1 ZINC000451554091 394376957 /nfs/dbraw/zinc/37/69/57/394376957.db2.gz PBJFPMVGALNKDW-HUUCEWRRSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCCCCN1CCN(Cc2cccc(O)c2)CC1 ZINC000520337662 394379981 /nfs/dbraw/zinc/37/99/81/394379981.db2.gz QNGYOMQYAKHIKI-UHFFFAOYSA-N 0 3 274.408 2.866 20 30 CFEDHN COc1ccc(OCCNCc2cc(C#N)cs2)cc1 ZINC000177682173 394384478 /nfs/dbraw/zinc/38/44/78/394384478.db2.gz ABYUDATZCBHDOH-UHFFFAOYSA-N 0 3 288.372 2.797 20 30 CFEDHN COCCC[C@@H](C)NCc1ccc(C#N)cc1F ZINC000177860352 394385025 /nfs/dbraw/zinc/38/50/25/394385025.db2.gz YYZUDXZSPBYNQD-LLVKDONJSA-N 0 3 250.317 2.602 20 30 CFEDHN CCCCCN1CCN(c2ccccc2C#N)CC1 ZINC000078775060 135002286 /nfs/dbraw/zinc/00/22/86/135002286.db2.gz NABOFAKQQGZSQT-UHFFFAOYSA-N 0 3 257.381 2.870 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@H](C)O ZINC000453344838 394388310 /nfs/dbraw/zinc/38/83/10/394388310.db2.gz OCRLVBHUGAJPKU-BFVZDQMLSA-N 0 3 250.317 2.507 20 30 CFEDHN CCC1(CN[C@H](C)c2ccc(C#N)cc2F)COC1 ZINC000453354714 394389866 /nfs/dbraw/zinc/38/98/66/394389866.db2.gz HULILHUTPKZEMM-LLVKDONJSA-N 0 3 262.328 2.775 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000685055695 542891032 /nfs/dbraw/zinc/89/10/32/542891032.db2.gz JMMHJTPMGYPIFP-MAUKXSAKSA-N 0 3 289.394 2.855 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(SC)cc1 ZINC000685005476 542886676 /nfs/dbraw/zinc/88/66/76/542886676.db2.gz VTYCKEDLOXQSMV-SMDDNHRTSA-N 0 3 251.395 2.996 20 30 CFEDHN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000453419912 394401092 /nfs/dbraw/zinc/40/10/92/394401092.db2.gz XEJNVEDMRXOREV-GYSYKLTISA-N 0 3 262.328 2.915 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000685599548 542932264 /nfs/dbraw/zinc/93/22/64/542932264.db2.gz OCWDZUNUCMHBIQ-DLBZAZTESA-N 0 3 287.403 2.607 20 30 CFEDHN Cc1ccccc1[C@H](CO)NCCOc1ccccc1C#N ZINC000541053382 394662296 /nfs/dbraw/zinc/66/22/96/394662296.db2.gz GFHDYCDKMKTKQG-KRWDZBQOSA-N 0 3 296.370 2.569 20 30 CFEDHN C[C@H](NCc1ccccc1CO)c1cccc(C#N)c1 ZINC000540597214 394650031 /nfs/dbraw/zinc/65/00/31/394650031.db2.gz NKYXUCCNAQDETC-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000554971043 394963803 /nfs/dbraw/zinc/96/38/03/394963803.db2.gz GOWLIKBSUJMNEF-LBPRGKRZSA-N 0 3 291.420 2.986 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000594427198 395103281 /nfs/dbraw/zinc/10/32/81/395103281.db2.gz GSTNWHRMOVGOQM-JSGCOSHPSA-N 0 3 291.420 2.727 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(F)c(C)cc2F)CC1 ZINC000177348575 542998788 /nfs/dbraw/zinc/99/87/88/542998788.db2.gz HOVYLUUPCZGVSY-UHFFFAOYSA-N 0 3 294.345 2.653 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCCOc1ccc(Cl)cc1 ZINC000649253315 395461950 /nfs/dbraw/zinc/46/19/50/395461950.db2.gz VCADCXMGYYDRRO-HNNXBMFYSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCCCCN1CCN(c2cncc(F)c2)CC1 ZINC000649399925 395485681 /nfs/dbraw/zinc/48/56/81/395485681.db2.gz VJJCNOKRDODIOS-UHFFFAOYSA-N 0 3 263.360 2.699 20 30 CFEDHN C=CCN1CC[C@H](NC2(c3ccccc3C)CCC2)C1=O ZINC000649644444 395544620 /nfs/dbraw/zinc/54/46/20/395544620.db2.gz BYEXOYQKVPLTMU-INIZCTEOSA-N 0 3 284.403 2.751 20 30 CFEDHN C=C(C)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649748623 395565347 /nfs/dbraw/zinc/56/53/47/395565347.db2.gz AUMBSENWDBJWJW-MSOLQXFVSA-N 0 3 286.419 2.538 20 30 CFEDHN C=CCCCN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649829633 395577660 /nfs/dbraw/zinc/57/76/60/395577660.db2.gz NDINUNVJPOVMQY-KRWDZBQOSA-N 0 3 258.409 2.811 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(C)cc1 ZINC000046342177 397581013 /nfs/dbraw/zinc/58/10/13/397581013.db2.gz JOUDIWYCQSIYOB-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(OC)c(COCC)c1 ZINC000491787809 397582205 /nfs/dbraw/zinc/58/22/05/397582205.db2.gz WTWUKBAXHKOYKI-ZDUSSCGKSA-N 0 3 261.365 2.685 20 30 CFEDHN N#CC1(CNC2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC000339311833 397651361 /nfs/dbraw/zinc/65/13/61/397651361.db2.gz DGEISZMXRVKFQO-UHFFFAOYSA-N 0 3 288.366 2.811 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCCC#N)N(C)C ZINC000360577634 397660260 /nfs/dbraw/zinc/66/02/60/397660260.db2.gz ARHUEMNPADYPEC-PBHICJAKSA-N 0 3 287.407 2.796 20 30 CFEDHN COCC#CCN(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000650293442 397749357 /nfs/dbraw/zinc/74/93/57/397749357.db2.gz QZLVIQFTPZDNDS-WKILWMFISA-N 0 3 273.376 2.523 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2CC3(CCC3)C2)CC1 ZINC000650852026 413201794 /nfs/dbraw/zinc/20/17/94/413201794.db2.gz NIRIRPMFYQXEJY-UHFFFAOYSA-N 0 3 291.439 2.659 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ncc(Cl)s1 ZINC000411637686 413234226 /nfs/dbraw/zinc/23/42/26/413234226.db2.gz GDWCMMWORTYFQG-UHFFFAOYSA-N 0 3 273.833 2.736 20 30 CFEDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2F)C1 ZINC000356357429 155238106 /nfs/dbraw/zinc/23/81/06/155238106.db2.gz FTZANYQIYWHZSK-WFASDCNBSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000660311580 413238253 /nfs/dbraw/zinc/23/82/53/413238253.db2.gz IBHYZYAIGAHJJW-MRXNPFEDSA-N 0 3 287.407 2.699 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC1(CO)CC1 ZINC000356395911 155251950 /nfs/dbraw/zinc/25/19/50/155251950.db2.gz OBWMMXYXNLWUSH-UHFFFAOYSA-N 0 3 298.308 2.781 20 30 CFEDHN C/C=C/C[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356422089 155260965 /nfs/dbraw/zinc/26/09/65/155260965.db2.gz UNBRPKBUAMOIKF-YWVDXFKGSA-N 0 3 298.308 2.994 20 30 CFEDHN C=CCC1(NC(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000663545458 413270256 /nfs/dbraw/zinc/27/02/56/413270256.db2.gz KWCQVQXXBCOXBT-UHFFFAOYSA-N 0 3 291.439 2.801 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651010791 413270397 /nfs/dbraw/zinc/27/03/97/413270397.db2.gz CIORRJSEQZKYPL-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN C[S@](=O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000343267845 154161506 /nfs/dbraw/zinc/16/15/06/154161506.db2.gz GXSAFQFAMCECMT-FQEVSTJZSA-N 0 3 284.384 2.585 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)N1CCCC[C@H]1C ZINC000343275329 154164115 /nfs/dbraw/zinc/16/41/15/154164115.db2.gz HMXNZUUVUZMXON-OLZOCXBDSA-N 0 3 277.437 2.972 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000345689033 154240369 /nfs/dbraw/zinc/24/03/69/154240369.db2.gz FKYRKWGILMSCNY-OASPWFOLSA-N 0 3 264.394 2.769 20 30 CFEDHN C=CCN(CC[C@@H]1CCNC1=O)Cc1ccc(Cl)s1 ZINC000653479941 413321227 /nfs/dbraw/zinc/32/12/27/413321227.db2.gz JVCVNMDHGYWAEM-NSHDSACASA-N 0 3 298.839 2.916 20 30 CFEDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(C#N)s1 ZINC000362978453 156135832 /nfs/dbraw/zinc/13/58/32/156135832.db2.gz AJMDQEZAAQOYMF-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CCC[C@H]3C3CC3)o2)cc1 ZINC000363573741 156184338 /nfs/dbraw/zinc/18/43/38/156184338.db2.gz WHYWJPVPULREGO-HNNXBMFYSA-N 0 3 294.358 2.983 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](C2CC2)C1 ZINC000367046318 156271791 /nfs/dbraw/zinc/27/17/91/156271791.db2.gz VTLUWTALOAKZLV-AWEZNQCLSA-N 0 3 256.349 2.799 20 30 CFEDHN N#Cc1cc(CN2CC[C@@]3(C2)CCCOC3)ccc1F ZINC000367056372 156274207 /nfs/dbraw/zinc/27/42/07/156274207.db2.gz YCZIDKABBBKCEE-MRXNPFEDSA-N 0 3 274.339 2.700 20 30 CFEDHN C=CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000660451107 413327225 /nfs/dbraw/zinc/32/72/25/413327225.db2.gz XZVNPXOPVRIPMT-GDBMZVCRSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCCn1cc(CN(CC(C)C)C(C)C)nn1 ZINC000653496135 413332671 /nfs/dbraw/zinc/33/26/71/413332671.db2.gz GCJZZJWEEFBJGE-UHFFFAOYSA-N 0 3 250.390 2.721 20 30 CFEDHN N#Cc1cccnc1N1CCCN([C@@H]2C=CCCC2)CC1 ZINC000373952968 157052012 /nfs/dbraw/zinc/05/20/12/157052012.db2.gz AAOXRTPLDCHGJD-MRXNPFEDSA-N 0 3 282.391 2.574 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375037487 157186415 /nfs/dbraw/zinc/18/64/15/157186415.db2.gz JHRVOCGBYBBWBO-SFHVURJKSA-N 0 3 296.345 2.791 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1[C@H]1CCCO1 ZINC000375277351 157216703 /nfs/dbraw/zinc/21/67/03/157216703.db2.gz JEVHBXYZNAXIMZ-NVXWUHKLSA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375410672 157242265 /nfs/dbraw/zinc/24/22/65/157242265.db2.gz AGIPNRNZZJGMMO-HNNXBMFYSA-N 0 3 294.358 2.808 20 30 CFEDHN C=CCOCCN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000651322002 413400572 /nfs/dbraw/zinc/40/05/72/413400572.db2.gz OEZXYGWQZUYEGU-CQSZACIVSA-N 0 3 285.391 2.940 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C2CC2)CC1 ZINC000660597472 413423876 /nfs/dbraw/zinc/42/38/76/413423876.db2.gz PNRGZNRBMXKFLT-OAHLLOKOSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@@]1(NCc2cc(C#N)cs2)CCO[C@H]1C1CC1 ZINC000344376726 162029491 /nfs/dbraw/zinc/02/94/91/162029491.db2.gz MHLIMOIGRAOYAA-UONOGXRCSA-N 0 3 262.378 2.667 20 30 CFEDHN CC[C@@H](C)[C@](C)(O)CNCc1ccc(C#N)s1 ZINC000344393068 162032678 /nfs/dbraw/zinc/03/26/78/162032678.db2.gz WHVSXCFINRTREV-ZWNOBZJWSA-N 0 3 252.383 2.506 20 30 CFEDHN CC[C@H](C[C@H](C)CO)NCc1ccc(C#N)cc1F ZINC000344605674 162078395 /nfs/dbraw/zinc/07/83/95/162078395.db2.gz MZQCJOUABDFICA-SMDDNHRTSA-N 0 3 264.344 2.584 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000344896799 162145027 /nfs/dbraw/zinc/14/50/27/162145027.db2.gz SXVYNNZPUUPROW-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN CCN1C[C@H](C)N(c2ccc(Cl)c(C#N)n2)C[C@H]1C ZINC000345168401 162192807 /nfs/dbraw/zinc/19/28/07/162192807.db2.gz FNVLTIOPDXQHGJ-MNOVXSKESA-N 0 3 278.787 2.526 20 30 CFEDHN CCN1C[C@@H](C)N(c2cccc(F)c2C#N)C[C@@H]1C ZINC000345177601 162195258 /nfs/dbraw/zinc/19/52/58/162195258.db2.gz VLALZBHMOKQLGL-NWDGAFQWSA-N 0 3 261.344 2.616 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CN1CCN(c2ncccc2C#N)CC1 ZINC000346139465 162328941 /nfs/dbraw/zinc/32/89/41/162328941.db2.gz VNOOVABXHRPRLX-NVXWUHKLSA-N 0 3 298.434 2.902 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000346159557 162335353 /nfs/dbraw/zinc/33/53/53/162335353.db2.gz HQDWGEFLFUGGKP-RHSMWYFYSA-N 0 3 297.402 2.566 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201570 162351919 /nfs/dbraw/zinc/35/19/19/162351919.db2.gz RBHSWPHXGMHHNT-AMKSKSKJSA-N 0 3 274.339 2.915 20 30 CFEDHN C/C=C\C[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000349358168 162971462 /nfs/dbraw/zinc/97/14/62/162971462.db2.gz VMIRUKYYYHYEQE-LAPROLRISA-N 0 3 262.328 2.675 20 30 CFEDHN CS[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352809060 163238475 /nfs/dbraw/zinc/23/84/75/163238475.db2.gz FQHRSBAXMISLLS-KOLCDFICSA-N 0 3 267.423 2.779 20 30 CFEDHN CS[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352809059 163239590 /nfs/dbraw/zinc/23/95/90/163239590.db2.gz FQHRSBAXMISLLS-GXSJLCMTSA-N 0 3 267.423 2.779 20 30 CFEDHN C[S@](=O)Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000353123797 163311519 /nfs/dbraw/zinc/31/15/19/163311519.db2.gz XUBLHUIVXSTIRI-NRFANRHFSA-N 0 3 298.411 2.727 20 30 CFEDHN Cc1cccc(NCCN[C@H]2CCc3ccc(C#N)cc32)n1 ZINC000353259490 163331752 /nfs/dbraw/zinc/33/17/52/163331752.db2.gz SKPJCIXNUBVUQH-KRWDZBQOSA-N 0 3 292.386 2.951 20 30 CFEDHN C[C@H](NCCOC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000353296330 163339213 /nfs/dbraw/zinc/33/92/13/163339213.db2.gz YUEGTJBNEZYJSB-QMMMGPOBSA-N 0 3 276.233 2.884 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(CO)c1)CC2 ZINC000353427510 163363146 /nfs/dbraw/zinc/36/31/46/163363146.db2.gz OMLDGPZJYPSNSG-SFHVURJKSA-N 0 3 278.355 2.828 20 30 CFEDHN C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000181999513 287065406 /nfs/dbraw/zinc/06/54/06/287065406.db2.gz USWGTPPUDJPSHZ-DOMZBBRYSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCN(C)C2=O)CC1 ZINC000376030728 287130687 /nfs/dbraw/zinc/13/06/87/287130687.db2.gz FMNSSQIVHZFMJE-AWEZNQCLSA-N 0 3 297.402 2.564 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360285142 287214473 /nfs/dbraw/zinc/21/44/73/287214473.db2.gz MYXWLZUJQSDZSA-DAXOMENPSA-N 0 3 299.418 2.889 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)C(C)C ZINC000284341196 196034291 /nfs/dbraw/zinc/03/42/91/196034291.db2.gz RGTWOUBUZKIVIM-INIZCTEOSA-N 0 3 258.365 2.563 20 30 CFEDHN CN(C)[C@H](CNCc1cccc(C#N)c1)c1ccco1 ZINC000020122153 171001979 /nfs/dbraw/zinc/00/19/79/171001979.db2.gz ZLJREOJVZMVLSW-OAHLLOKOSA-N 0 3 269.348 2.544 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284710093 196115743 /nfs/dbraw/zinc/11/57/43/196115743.db2.gz IZSKLJXHCFUUPS-JKSUJKDBSA-N 0 3 256.349 2.702 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284710089 196116248 /nfs/dbraw/zinc/11/62/48/196116248.db2.gz IZSKLJXHCFUUPS-HOTGVXAUSA-N 0 3 256.349 2.702 20 30 CFEDHN COc1cccc([C@H](CNc2ccc(C#N)cn2)N(C)C)c1 ZINC000022263633 171382759 /nfs/dbraw/zinc/38/27/59/171382759.db2.gz KNSFCYKSBOITDB-INIZCTEOSA-N 0 3 296.374 2.677 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Cc2nc(CC)cs2)CC1 ZINC000653802456 413505436 /nfs/dbraw/zinc/50/54/36/413505436.db2.gz GXOSWOSUKYMAGW-OAHLLOKOSA-N 0 3 294.464 2.897 20 30 CFEDHN CCC(C)(C)N1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000653810639 413508591 /nfs/dbraw/zinc/50/85/91/413508591.db2.gz LISZJZVJBMSUHQ-UHFFFAOYSA-N 0 3 288.410 2.983 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)CC[C@H]2C)CC1 ZINC000660705193 413509309 /nfs/dbraw/zinc/50/93/09/413509309.db2.gz SXQFJYQJFOJZSG-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCn1cc(CNC2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000657371336 413512013 /nfs/dbraw/zinc/51/20/13/413512013.db2.gz JGMZTVMESOALCM-STQMWFEESA-N 0 3 262.401 2.769 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(C)CC2(C)C)CC1 ZINC000664015814 413514751 /nfs/dbraw/zinc/51/47/51/413514751.db2.gz KCVPEPHTBWYKMA-MRXNPFEDSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@H]3CCC[C@@H]3C2)nn1 ZINC000657376934 413521276 /nfs/dbraw/zinc/52/12/76/413521276.db2.gz QNSVYWPKSSVTII-RBSFLKMASA-N 0 3 274.412 2.913 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000660820237 413590988 /nfs/dbraw/zinc/59/09/88/413590988.db2.gz CDKIIOJZZLFVCB-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CNCCC2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000657464169 413634956 /nfs/dbraw/zinc/63/49/56/413634956.db2.gz PIKXQTOXZAYGKN-KBPBESRZSA-N 0 3 292.427 2.538 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2ncnn2C(C)(C)C)C1 ZINC000651794893 413643278 /nfs/dbraw/zinc/64/32/78/413643278.db2.gz FVIBPJGCHFBZKX-OLZOCXBDSA-N 0 3 262.401 2.868 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC2CC2)c1F ZINC000657482011 413669587 /nfs/dbraw/zinc/66/95/87/413669587.db2.gz NMRWKODICOIQEL-KGLIPLIRSA-N 0 3 277.339 2.800 20 30 CFEDHN C=CCC[C@H](CO)NCc1cccc(OC2CC2)c1F ZINC000657484187 413669782 /nfs/dbraw/zinc/66/97/82/413669782.db2.gz DJEOLSSFOJUUER-CYBMUJFWSA-N 0 3 279.355 2.784 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654311743 413805342 /nfs/dbraw/zinc/80/53/42/413805342.db2.gz LDORJKFIEBWYOF-JKSUJKDBSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCC1(NCc2cn3cc(C)ccc3n2)CCOCC1 ZINC000657632907 413807290 /nfs/dbraw/zinc/80/72/90/413807290.db2.gz BRFAWYBKKKMXNU-UHFFFAOYSA-N 0 3 285.391 2.858 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000664407147 413749961 /nfs/dbraw/zinc/74/99/61/413749961.db2.gz GIUYYUOMMNITBQ-AWEZNQCLSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000664410176 413750061 /nfs/dbraw/zinc/75/00/61/413750061.db2.gz SZYZRYICELPTHU-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN C#CCN(Cc1ccccc1)CC1CC(OCC)C1 ZINC000285515980 196310196 /nfs/dbraw/zinc/31/01/96/196310196.db2.gz DQMMKVMJRHGPOM-UHFFFAOYSA-N 0 3 257.377 2.937 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000654482068 413880421 /nfs/dbraw/zinc/88/04/21/413880421.db2.gz WUSDLPGVQIPWOK-KBPBESRZSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCOCCCNCc1c[nH]c(-c2ccccc2)n1 ZINC000657657968 413823800 /nfs/dbraw/zinc/82/38/00/413823800.db2.gz GUBCSZNUTHSAMZ-UHFFFAOYSA-N 0 3 271.364 2.759 20 30 CFEDHN C=CCOCCCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000657658014 413825255 /nfs/dbraw/zinc/82/52/55/413825255.db2.gz IKNJCXRBJWIHCA-UHFFFAOYSA-N 0 3 289.354 2.694 20 30 CFEDHN C=CCOCCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000657658196 413825475 /nfs/dbraw/zinc/82/54/75/413825475.db2.gz OUTUBIJPKQMWHI-ZDUSSCGKSA-N 0 3 291.391 2.701 20 30 CFEDHN C=CCOCCCNCc1cncc(Br)c1 ZINC000657658327 413825793 /nfs/dbraw/zinc/82/57/93/413825793.db2.gz SHEUOZWUEDRMRS-UHFFFAOYSA-N 0 3 285.185 2.526 20 30 CFEDHN C=CCOCCCNCc1cc2ccccc2nc1OC ZINC000657658017 413826718 /nfs/dbraw/zinc/82/67/18/413826718.db2.gz IRPASPBGSJRSJP-UHFFFAOYSA-N 0 3 286.375 2.926 20 30 CFEDHN C=CCOCCCNCc1ncc(C(C)C)s1 ZINC000657658116 413827227 /nfs/dbraw/zinc/82/72/27/413827227.db2.gz NJRNILOEBWHDID-UHFFFAOYSA-N 0 3 254.399 2.949 20 30 CFEDHN C=CCN(C[C@@H](O)Cc1cccc(Cl)c1)[C@H](C)COC ZINC000661240313 413839704 /nfs/dbraw/zinc/83/97/04/413839704.db2.gz NHSGVXHLOQANOG-CJNGLKHVSA-N 0 3 297.826 2.766 20 30 CFEDHN C=CCN(C[C@H](Cc1ccccc1)OC)[C@@H](C)COC ZINC000661241399 413840644 /nfs/dbraw/zinc/84/06/44/413840644.db2.gz XJSFGFXOYBOQET-RDJZCZTQSA-N 0 3 277.408 2.767 20 30 CFEDHN C=CCN(CCCOc1ccccc1)[C@@H](C)COC ZINC000661243468 413847374 /nfs/dbraw/zinc/84/73/74/413847374.db2.gz KTSOYWNBXQWQPG-HNNXBMFYSA-N 0 3 263.381 2.978 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1)[C@H](C)COC ZINC000661245214 413848262 /nfs/dbraw/zinc/84/82/62/413848262.db2.gz ZGGOPUYCKDQONT-CQSZACIVSA-N 0 3 276.380 2.538 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000661379430 413936300 /nfs/dbraw/zinc/93/63/00/413936300.db2.gz YKEIIXFAZHMZFL-HNNXBMFYSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N2CCC(C)CC2)C1 ZINC000661378361 413936818 /nfs/dbraw/zinc/93/68/18/413936818.db2.gz DTCCWELGMNFIGK-HOTGVXAUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000657791369 413938689 /nfs/dbraw/zinc/93/86/89/413938689.db2.gz WUYDCNNFJZUHEC-TZMCWYRMSA-N 0 3 279.380 2.509 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)NCCCCC)C1 ZINC000661378019 413938808 /nfs/dbraw/zinc/93/88/08/413938808.db2.gz ZNWQHTJLWYWPTN-AWEZNQCLSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)NCc2ccccc2)C1 ZINC000661379532 413939159 /nfs/dbraw/zinc/93/91/59/413939159.db2.gz ZEJAZPQYLNSCHB-INIZCTEOSA-N 0 3 272.392 2.591 20 30 CFEDHN C#CC(C)(C)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000285611888 196342498 /nfs/dbraw/zinc/34/24/98/196342498.db2.gz CLDNWTVIOACSQM-UHFFFAOYSA-N 0 3 253.349 2.716 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCN1CCC ZINC000664888309 413994716 /nfs/dbraw/zinc/99/47/16/413994716.db2.gz GTAXRCQRHDOBMR-XHSDSOJGSA-N 0 3 291.439 2.753 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C#N)cc2F)CCOC1 ZINC000285659916 196358079 /nfs/dbraw/zinc/35/80/79/196358079.db2.gz SVHPCOWUOUILJQ-OAHLLOKOSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](C3CCCCC3)C2)C1=O ZINC000661578326 414061986 /nfs/dbraw/zinc/06/19/86/414061986.db2.gz KRPKOSHLLOQRBR-HZPDHXFCSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657939501 414068109 /nfs/dbraw/zinc/06/81/09/414068109.db2.gz ZGBZEXQZAAYTEX-QWRGUYRKSA-N 0 3 270.323 2.854 20 30 CFEDHN C#CCN(CCc1ccnn1CC)Cc1ccccc1 ZINC000285760638 196390921 /nfs/dbraw/zinc/39/09/21/196390921.db2.gz RMKUFNRMYRXBKC-UHFFFAOYSA-N 0 3 267.376 2.581 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(C(N)=O)co1 ZINC000657982735 414086594 /nfs/dbraw/zinc/08/65/94/414086594.db2.gz XBKGGPHWPSOSMB-SMDDNHRTSA-N 0 3 262.353 2.603 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CCF)C1 ZINC000661694820 414139097 /nfs/dbraw/zinc/13/90/97/414139097.db2.gz BMPRBWBUAYPXGZ-HUUCEWRRSA-N 0 3 284.419 2.871 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658030958 414115359 /nfs/dbraw/zinc/11/53/59/414115359.db2.gz AKYRFYZVZLTHDH-CMPLNLGQSA-N 0 3 270.323 2.997 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc2cnccc2o1 ZINC000658031472 414116501 /nfs/dbraw/zinc/11/65/01/414116501.db2.gz GFBPNHRSQRLCTB-YPMHNXCESA-N 0 3 260.337 2.806 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)CCN1CCCCC1 ZINC000652991495 414166123 /nfs/dbraw/zinc/16/61/23/414166123.db2.gz DWPRWRTTWVCAGQ-HNNXBMFYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCCN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000658115260 414214699 /nfs/dbraw/zinc/21/46/99/414214699.db2.gz ACSINPSSLSMNLD-HZPDHXFCSA-N 0 3 294.826 2.877 20 30 CFEDHN O[C@@H]1C[C@@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000661830023 414243109 /nfs/dbraw/zinc/24/31/09/414243109.db2.gz FJZUYZQXBKUYMA-HUUCEWRRSA-N 0 3 275.779 2.585 20 30 CFEDHN C=CCOCCCN[C@@H](CC)c1ccc(F)cn1 ZINC000658209601 414283643 /nfs/dbraw/zinc/28/36/43/414283643.db2.gz HUXULSGMSOJLHG-ZDUSSCGKSA-N 0 3 252.333 2.854 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665357846 414295494 /nfs/dbraw/zinc/29/54/94/414295494.db2.gz XOWSBJOTRUHOIO-KBPBESRZSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000655678002 414354588 /nfs/dbraw/zinc/35/45/88/414354588.db2.gz OSFBQINICACNKO-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCOCCNCc1cn(-c2ccccc2F)nc1C ZINC000655757709 414412761 /nfs/dbraw/zinc/41/27/61/414412761.db2.gz JOGBRROZLAYWDL-UHFFFAOYSA-N 0 3 289.354 2.612 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662211332 414458088 /nfs/dbraw/zinc/45/80/88/414458088.db2.gz FSQNTQDNJSDGKU-MRXNPFEDSA-N 0 3 285.387 2.864 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@H](C)CCC ZINC000662080327 414399236 /nfs/dbraw/zinc/39/92/36/414399236.db2.gz OLQNLBUJGTYZCI-TUVASFSCSA-N 0 3 264.413 2.863 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662857790 414622487 /nfs/dbraw/zinc/62/24/87/414622487.db2.gz PNFFHPCLTJRDBP-AWEZNQCLSA-N 0 3 284.403 2.761 20 30 CFEDHN C=CCOc1ccc(CN(C[C@@H](C)O)C2CC2)cc1 ZINC000656280990 414562780 /nfs/dbraw/zinc/56/27/80/414562780.db2.gz PHZWBMWTDMBALJ-CYBMUJFWSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCOc1ccc(CN(C[C@H](C)O)C2CC2)cc1 ZINC000656280992 414563357 /nfs/dbraw/zinc/56/33/57/414563357.db2.gz PHZWBMWTDMBALJ-ZDUSSCGKSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](N)CC(F)F)CCCC1 ZINC000662620965 414578159 /nfs/dbraw/zinc/57/81/59/414578159.db2.gz RXNQJAMUEHUPQJ-LLVKDONJSA-N 0 3 274.355 2.612 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](N)CC(F)F)CCCC1 ZINC000662620966 414578167 /nfs/dbraw/zinc/57/81/67/414578167.db2.gz RXNQJAMUEHUPQJ-NSHDSACASA-N 0 3 274.355 2.612 20 30 CFEDHN C=CCOc1ccc(CNCCOCCF)cc1Cl ZINC000663340427 414675380 /nfs/dbraw/zinc/67/53/80/414675380.db2.gz MUUPHCCWNZGIMX-UHFFFAOYSA-N 0 3 287.762 2.981 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccccc1Br ZINC000044824297 175259109 /nfs/dbraw/zinc/25/91/09/175259109.db2.gz BAGCPCHHQGRSBK-VIFPVBQESA-N 0 3 281.153 2.567 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cnn3ccccc23)C1 ZINC000334740696 225297772 /nfs/dbraw/zinc/29/77/72/225297772.db2.gz PQWSHIKTUXWWGS-TZMCWYRMSA-N 0 3 254.337 2.506 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000334910896 225362921 /nfs/dbraw/zinc/36/29/21/225362921.db2.gz PVHVVWFHWFRLPN-ZWNOBZJWSA-N 0 3 278.302 2.658 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000345781247 225602803 /nfs/dbraw/zinc/60/28/03/225602803.db2.gz YYCDLFUIBFCEOA-JTQLQIEISA-N 0 3 264.756 2.937 20 30 CFEDHN CCOc1ccccc1[C@@H](CC)NC(=O)C(C)C#N ZINC000347127778 226036179 /nfs/dbraw/zinc/03/61/79/226036179.db2.gz FRGAZVAFVBPXQU-DGCLKSJQSA-N 0 3 260.337 2.812 20 30 CFEDHN CC(C#N)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000347110257 226054106 /nfs/dbraw/zinc/05/41/06/226054106.db2.gz QTEMVESVUHWFNT-LRVUVFPRSA-N 0 3 297.358 2.524 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc2ccccc2c1 ZINC000347032779 226021187 /nfs/dbraw/zinc/02/11/87/226021187.db2.gz GTYIQRZSORCOJW-GFCCVEGCSA-N 0 3 252.317 2.658 20 30 CFEDHN CC(C#N)C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000347037651 226023000 /nfs/dbraw/zinc/02/30/00/226023000.db2.gz NSSOAVJSBJBZCJ-JTQLQIEISA-N 0 3 284.281 2.914 20 30 CFEDHN CC[C@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N(CC)CC ZINC000357300759 287487402 /nfs/dbraw/zinc/48/74/02/287487402.db2.gz BZQLSOFTSYPSOG-MRXNPFEDSA-N 0 3 299.418 2.784 20 30 CFEDHN O=C(Cn1cc2ccccc2n1)NC1CCN(C2CC2)CC1 ZINC000330054746 228028512 /nfs/dbraw/zinc/02/85/12/228028512.db2.gz SNKGWOASJDTYQV-UHFFFAOYSA-N 0 3 298.390 2.620 20 30 CFEDHN CCc1noc(C2CCC(N[C@H]3CCC[C@H]3C#N)CC2)n1 ZINC000331918878 228139238 /nfs/dbraw/zinc/13/92/38/228139238.db2.gz LTTYQLJIIQEONF-YIOUJQMASA-N 0 3 288.395 2.940 20 30 CFEDHN CC#CCCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187274553 260030166 /nfs/dbraw/zinc/03/01/66/260030166.db2.gz VGSNDZDOEGQRRA-CRAIPNDOSA-N 0 3 286.419 2.988 20 30 CFEDHN C=CCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000117877454 260117406 /nfs/dbraw/zinc/11/74/06/260117406.db2.gz DKLKPFSHRGQTSW-HNNXBMFYSA-N 0 3 291.370 2.988 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000363357711 260129083 /nfs/dbraw/zinc/12/90/83/260129083.db2.gz VJPHBKCOVMTKKJ-ZWKOTPCHSA-N 0 3 296.418 2.636 20 30 CFEDHN C=CCN(CCOCC(F)F)Cc1ccccc1 ZINC000188618811 260163249 /nfs/dbraw/zinc/16/32/49/260163249.db2.gz RXJOYMVHDDEYOV-UHFFFAOYSA-N 0 3 255.308 2.956 20 30 CFEDHN CC(C)C[C@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000517373196 260168975 /nfs/dbraw/zinc/16/89/75/260168975.db2.gz IYPFNXCALWNSQN-OAHLLOKOSA-N 0 3 283.379 2.611 20 30 CFEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@H]1CCCO1 ZINC000086036545 260206610 /nfs/dbraw/zinc/20/66/10/260206610.db2.gz BHYPTIOTDKWSEG-MHABSNSOSA-N 0 3 270.376 2.767 20 30 CFEDHN C=CCOc1ccc(CNCCOCC(F)F)cc1 ZINC000231677468 260223436 /nfs/dbraw/zinc/22/34/36/260223436.db2.gz BOKBQDLXYFBHAX-UHFFFAOYSA-N 0 3 271.307 2.623 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1ccccc1 ZINC000107071245 260232426 /nfs/dbraw/zinc/23/24/26/260232426.db2.gz GUWZBZZHKBCCIE-CABCVRRESA-N 0 3 272.392 2.926 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CC)[C@H](O)CC ZINC000313096978 260246916 /nfs/dbraw/zinc/24/69/16/260246916.db2.gz XCZXDDQUHKNSEY-HUUCEWRRSA-N 0 3 263.381 2.891 20 30 CFEDHN Cn1cccc1[C@H]1CCCN1CCCSCC#N ZINC000072513411 260276583 /nfs/dbraw/zinc/27/65/83/260276583.db2.gz QAARGSYOTHLMBT-CQSZACIVSA-N 0 3 263.410 2.809 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000090451399 260359960 /nfs/dbraw/zinc/35/99/60/260359960.db2.gz UIQJFERZHLKVRC-ZDUSSCGKSA-N 0 3 288.395 2.589 20 30 CFEDHN COC1(CNC2CC(C#N)(c3ccccc3)C2)CCC1 ZINC000129638759 260389676 /nfs/dbraw/zinc/38/96/76/260389676.db2.gz LIKBFNTZDJEEJF-UHFFFAOYSA-N 0 3 270.376 2.769 20 30 CFEDHN CC[C@@H](c1ccccc1OC)N(C)C(=O)C(C)C#N ZINC000360551283 261076544 /nfs/dbraw/zinc/07/65/44/261076544.db2.gz SSDCPDQPZUIIKK-YPMHNXCESA-N 0 3 260.337 2.764 20 30 CFEDHN CC1(C)CN(Cc2cccc(OCCCC#N)c2)C[C@H]1O ZINC000448366133 261129796 /nfs/dbraw/zinc/12/97/96/261129796.db2.gz KTLVFAYINIXVEL-MRXNPFEDSA-N 0 3 288.391 2.572 20 30 CFEDHN C#CCN(CCCCCS(=O)(=O)CC)C1CCCCC1 ZINC000490740373 261197750 /nfs/dbraw/zinc/19/77/50/261197750.db2.gz KOVBLPIIWWDLGP-UHFFFAOYSA-N 0 3 299.480 2.859 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC2(CCCCC2)CC1 ZINC000102410868 261235279 /nfs/dbraw/zinc/23/52/79/261235279.db2.gz NQTXJDIGFPXMTC-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](CC(C)C)c1cccs1 ZINC000490934555 261253687 /nfs/dbraw/zinc/25/36/87/261253687.db2.gz JGWRCTJFTVWKHZ-STQMWFEESA-N 0 3 278.421 2.563 20 30 CFEDHN Cc1ccsc1[C@H](CO)N[C@@H]1CCC[C@H](C#N)C1 ZINC000361425636 261258446 /nfs/dbraw/zinc/25/84/46/261258446.db2.gz HSDRFHSBBXNOCK-XQQFMLRXSA-N 0 3 264.394 2.762 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000103266244 261278656 /nfs/dbraw/zinc/27/86/56/261278656.db2.gz ZNJWHEUCOHECML-OAGGEKHMSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)N1CCCCCC1 ZINC000176623989 261299765 /nfs/dbraw/zinc/29/97/65/261299765.db2.gz ODCSXHGMYHQFGY-HOCLYGCPSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)CCC)CC1 ZINC000106035141 261320419 /nfs/dbraw/zinc/32/04/19/261320419.db2.gz MLTDWFJSTKHMGD-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000106036372 261320665 /nfs/dbraw/zinc/32/06/65/261320665.db2.gz SYKOXVGTWQJUPX-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN C#CCNC(=O)CCN(C)[C@@H](C)c1cc2ccccc2o1 ZINC000491201054 261367981 /nfs/dbraw/zinc/36/79/81/261367981.db2.gz FFJMVVGMMCUPPC-ZDUSSCGKSA-N 0 3 284.359 2.565 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H]1CCO[C@H](C)C1 ZINC000491485622 261636705 /nfs/dbraw/zinc/63/67/05/261636705.db2.gz PRAJKUYEQPETHJ-WBVHZDCISA-N 0 3 257.377 2.937 20 30 CFEDHN Cc1ccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000182346449 261935522 /nfs/dbraw/zinc/93/55/22/261935522.db2.gz NZOUXYPKYWIESU-HNNXBMFYSA-N 0 3 299.418 2.988 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185757479 262069065 /nfs/dbraw/zinc/06/90/65/262069065.db2.gz PGMPVDDVYDVMAQ-MELADBBJSA-N 0 3 261.369 2.554 20 30 CFEDHN CN(C)[C@@H](CN[C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185757429 262069079 /nfs/dbraw/zinc/06/90/79/262069079.db2.gz PGMPVDDVYDVMAQ-MJBXVCDLSA-N 0 3 261.369 2.554 20 30 CFEDHN COCCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185777174 262070057 /nfs/dbraw/zinc/07/00/57/262070057.db2.gz ZXYRZLRYXYGTJR-HZPDHXFCSA-N 0 3 288.391 2.884 20 30 CFEDHN CCNC(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185791320 262071461 /nfs/dbraw/zinc/07/14/61/262071461.db2.gz QUSQFWWCXFHSJL-BBRMVZONSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CCCCCN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497243489 262123106 /nfs/dbraw/zinc/12/31/06/262123106.db2.gz FYMIJSIFBJXIQP-ZDUSSCGKSA-N 0 3 254.374 2.505 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000120462048 262196362 /nfs/dbraw/zinc/19/63/62/262196362.db2.gz UQUPHZAQEUDTFO-CYBMUJFWSA-N 0 3 268.360 2.793 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000192761939 262210710 /nfs/dbraw/zinc/21/07/10/262210710.db2.gz SVRSQPQXGHQSSC-ZBFHGGJFSA-N 0 3 297.402 2.638 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(Br)c(C)c1 ZINC000184280770 262276282 /nfs/dbraw/zinc/27/62/82/262276282.db2.gz YAVCHVVMMDVTCL-GFCCVEGCSA-N 0 3 284.197 2.784 20 30 CFEDHN C=CCCOCCNCc1cccc2c1OCCCO2 ZINC000120875053 262238824 /nfs/dbraw/zinc/23/88/24/262238824.db2.gz AMGPSHLAFJDCAL-UHFFFAOYSA-N 0 3 277.364 2.530 20 30 CFEDHN CC[C@@H](C)[C@H](C)N(CC(=O)N(CC)CCC#N)C1CC1 ZINC000111226853 262258329 /nfs/dbraw/zinc/25/83/29/262258329.db2.gz YGNPAWDWKAOKEB-KGLIPLIRSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000111257540 262258479 /nfs/dbraw/zinc/25/84/79/262258479.db2.gz ZOSAFVOPWYLMMS-LBPRGKRZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000111256783 262258534 /nfs/dbraw/zinc/25/85/34/262258534.db2.gz KWHFKBZFCSCGQB-AWEZNQCLSA-N 0 3 272.392 2.589 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000111256812 262258637 /nfs/dbraw/zinc/25/86/37/262258637.db2.gz FJPGGXDTAZIIIC-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCCCCC)CC1 ZINC000111260112 262258711 /nfs/dbraw/zinc/25/87/11/262258711.db2.gz UVESANHSAZQQQW-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCCC2(CCCCC2)C1 ZINC000111323938 262259743 /nfs/dbraw/zinc/25/97/43/262259743.db2.gz OMVZMGUZSMDWQZ-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000111260121 262264558 /nfs/dbraw/zinc/26/45/58/262264558.db2.gz NZCOPRYQSWZZQR-OLZOCXBDSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1cccc(C)n1 ZINC000160370088 262268348 /nfs/dbraw/zinc/26/83/48/262268348.db2.gz WKBJAWMENWDXTI-ZBFHGGJFSA-N 0 3 260.381 2.854 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000184267159 262275537 /nfs/dbraw/zinc/27/55/37/262275537.db2.gz RUTXATJETSDXCG-SNVBAGLBSA-N 0 3 277.261 2.871 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(F)c(Br)c1 ZINC000184283364 262276192 /nfs/dbraw/zinc/27/61/92/262276192.db2.gz SUSVCZPVWDIDRE-SNVBAGLBSA-N 0 3 288.160 2.615 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495875643 262319288 /nfs/dbraw/zinc/31/92/88/262319288.db2.gz OOXDRVPSEPRBMK-QWHCGFSZSA-N 0 3 281.400 2.620 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccoc1)C(C)C ZINC000163756007 262332228 /nfs/dbraw/zinc/33/22/28/262332228.db2.gz KOIHFAXFVAPWOK-INIZCTEOSA-N 0 3 290.407 2.637 20 30 CFEDHN C=CCCCNCc1cc(OC)c(OC)cc1OC ZINC000311521661 262338128 /nfs/dbraw/zinc/33/81/28/262338128.db2.gz DXUVBJWWXXHVAM-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN Cc1ncsc1CCNCc1cc(C#N)cs1 ZINC000391096208 262381003 /nfs/dbraw/zinc/38/10/03/262381003.db2.gz BLPRNAIDDRJVHT-UHFFFAOYSA-N 0 3 263.391 2.717 20 30 CFEDHN N#CC1(CCCN2CCC[C@@H]3COCC[C@H]32)CCOCC1 ZINC000337197368 262431842 /nfs/dbraw/zinc/43/18/42/262431842.db2.gz XAJGXPSIZMKILX-HZPDHXFCSA-N 0 3 292.423 2.588 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nccn1-c1ccccc1 ZINC000411643603 262702947 /nfs/dbraw/zinc/70/29/47/262702947.db2.gz INPDCOJHINIKIP-UHFFFAOYSA-N 0 3 298.434 2.812 20 30 CFEDHN CCc1nc(C)c(CNC(=N)Nc2cc(F)ccc2F)o1 ZINC000262713208 262784857 /nfs/dbraw/zinc/78/48/57/262784857.db2.gz QHSYBXLMFWPSQY-UHFFFAOYSA-N 0 3 294.305 2.750 20 30 CFEDHN Cc1cc2ncc([C@H](C)NCC(C)(C)CC#N)c(C)n2n1 ZINC000414169360 262813207 /nfs/dbraw/zinc/81/32/07/262813207.db2.gz RPHFELLVIYRWGK-LBPRGKRZSA-N 0 3 285.395 2.937 20 30 CFEDHN CC[C@@H](C(=O)Nc1cccc(OCC#N)c1)N(CC)CC ZINC000265630368 262910195 /nfs/dbraw/zinc/91/01/95/262910195.db2.gz SJZKVNNNEQWRAE-HNNXBMFYSA-N 0 3 289.379 2.648 20 30 CFEDHN C=C(C)CCN(CC)CC(=O)N1CCCCCC1 ZINC000353165877 262966265 /nfs/dbraw/zinc/96/62/65/262966265.db2.gz JJVOASVHGSWJLD-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000271727566 262998645 /nfs/dbraw/zinc/99/86/45/262998645.db2.gz XYGOAJRIQJGYDS-RDJZCZTQSA-N 0 3 285.391 2.536 20 30 CFEDHN N#CCCCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000272513087 263005570 /nfs/dbraw/zinc/00/55/70/263005570.db2.gz KHGZLRGXTCVBBH-UHFFFAOYSA-N 0 3 280.755 2.895 20 30 CFEDHN COc1cc(CNCCCC#N)ccc1OC(F)F ZINC000272522476 263005735 /nfs/dbraw/zinc/00/57/35/263005735.db2.gz XTYLZCJQNIMPHC-UHFFFAOYSA-N 0 3 270.279 2.690 20 30 CFEDHN CCOc1ccc(CNCCCC#N)cc1OCC ZINC000273023645 263011082 /nfs/dbraw/zinc/01/10/82/263011082.db2.gz FAMQHDNOIPVSET-UHFFFAOYSA-N 0 3 262.353 2.877 20 30 CFEDHN Cc1ccc(CN(CCO)CCC(C)(C)C#N)cc1 ZINC000273036466 263011433 /nfs/dbraw/zinc/01/14/33/263011433.db2.gz ZSANMFDDCHPUDW-UHFFFAOYSA-N 0 3 260.381 2.729 20 30 CFEDHN C[C@H](NC(=O)Nc1ccc(CC#N)cc1)C1=CCN(C)CC1 ZINC000273056412 263011867 /nfs/dbraw/zinc/01/18/67/263011867.db2.gz YAIUWLXKHXABFE-ZDUSSCGKSA-N 0 3 298.390 2.525 20 30 CFEDHN Cc1ccc(-c2n[nH]cc2CNCCCC#N)cc1 ZINC000273064535 263012019 /nfs/dbraw/zinc/01/20/19/263012019.db2.gz NGAKVLUMWNLHQD-UHFFFAOYSA-N 0 3 254.337 2.779 20 30 CFEDHN COc1ccc(CNCCCC#N)cc1OCCCC#N ZINC000273100232 263012617 /nfs/dbraw/zinc/01/26/17/263012617.db2.gz VPVNCIAUQRXNFE-UHFFFAOYSA-N 0 3 287.363 2.771 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000274225006 263022156 /nfs/dbraw/zinc/02/21/56/263022156.db2.gz QVXNQXSHTJEWHN-CXAGYDPISA-N 0 3 297.402 2.751 20 30 CFEDHN Cc1ccccc1CN1CCN([C@@H](C)CCC#N)CC1 ZINC000278704199 263049944 /nfs/dbraw/zinc/04/99/44/263049944.db2.gz TWRYIELIMIWISD-INIZCTEOSA-N 0 3 271.408 2.805 20 30 CFEDHN Cc1ccccc1CN1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278773737 263051011 /nfs/dbraw/zinc/05/10/11/263051011.db2.gz YYHSVINTPUCRNK-FUHWJXTLSA-N 0 3 283.419 2.805 20 30 CFEDHN N#CC1CCN(C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279357219 263054940 /nfs/dbraw/zinc/05/49/40/263054940.db2.gz JYVGKKANDHQTNM-LJQANCHMSA-N 0 3 294.398 2.979 20 30 CFEDHN CCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280156983 263059525 /nfs/dbraw/zinc/05/95/25/263059525.db2.gz WSQTWGPLOKVUER-OAHLLOKOSA-N 0 3 283.375 2.793 20 30 CFEDHN CC(C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280230240 263059768 /nfs/dbraw/zinc/05/97/68/263059768.db2.gz WAWBIZMHFWLYIB-CZUORRHYSA-N 0 3 283.375 2.791 20 30 CFEDHN CC[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332701 263060453 /nfs/dbraw/zinc/06/04/53/263060453.db2.gz HIQALRQOJIEKCL-RHSMWYFYSA-N 0 3 295.386 2.889 20 30 CFEDHN N#CCCCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282144680 263074730 /nfs/dbraw/zinc/07/47/30/263074730.db2.gz SDMDTDHIRBMAKG-CQSZACIVSA-N 0 3 272.396 2.703 20 30 CFEDHN COc1c(O)cccc1CNCC1CCC(C#N)CC1 ZINC000282338909 263075926 /nfs/dbraw/zinc/07/59/26/263075926.db2.gz OSOMCDMGXWEHNT-UHFFFAOYSA-N 0 3 274.364 2.820 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@](C)(C#N)CC)C(C)C ZINC000285417773 263092806 /nfs/dbraw/zinc/09/28/06/263092806.db2.gz DMQROYIXPQCUIW-RDJZCZTQSA-N 0 3 291.439 2.741 20 30 CFEDHN C[C@@H](C[NH+](C)C)/N=C/c1c([O-])ccc2ccccc21 ZINC000286422573 263098504 /nfs/dbraw/zinc/09/85/04/263098504.db2.gz HMGWGQBOEMDPEZ-VAKHEIKFSA-N 0 3 256.349 2.914 20 30 CFEDHN CC1(C)CC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287302829 263101575 /nfs/dbraw/zinc/10/15/75/263101575.db2.gz UIVXGZAXFFRVEL-CABCVRRESA-N 0 3 281.359 2.545 20 30 CFEDHN CCc1ccc([C@H](O)CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000287305750 263101617 /nfs/dbraw/zinc/10/16/17/263101617.db2.gz DTZPBGTYNSWONE-DJIMGWMZSA-N 0 3 272.392 2.954 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(F)c[nH]1)C(C)C ZINC000340302075 263107076 /nfs/dbraw/zinc/10/70/76/263107076.db2.gz NWHCBGOISWIIIT-HNNXBMFYSA-N 0 3 293.386 2.582 20 30 CFEDHN COCCOCCN(C)Cc1ccccc1C(C)(C)C#N ZINC000289143045 263107758 /nfs/dbraw/zinc/10/77/58/263107758.db2.gz YUVANQKHHRPRNF-UHFFFAOYSA-N 0 3 290.407 2.583 20 30 CFEDHN CC(C)(CO)[C@@H](NCCCC#N)c1cccs1 ZINC000289459828 263110340 /nfs/dbraw/zinc/11/03/40/263110340.db2.gz YEZMAINPJGJQMG-LBPRGKRZSA-N 0 3 252.383 2.701 20 30 CFEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCCC#N ZINC000291094047 263120067 /nfs/dbraw/zinc/12/00/67/263120067.db2.gz IELFBNFROLRTSD-WBVHZDCISA-N 0 3 297.402 2.823 20 30 CFEDHN N#CCCCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291785841 263125491 /nfs/dbraw/zinc/12/54/91/263125491.db2.gz MMCOBJIFJRBQRI-KRWDZBQOSA-N 0 3 272.392 2.607 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(F)F ZINC000452681381 263130551 /nfs/dbraw/zinc/13/05/51/263130551.db2.gz ZABGNYKKMMNAPF-STQMWFEESA-N 0 3 280.318 2.919 20 30 CFEDHN COC(=O)c1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000292693549 263133871 /nfs/dbraw/zinc/13/38/71/263133871.db2.gz CSNOOVTYCWVIPT-ZFWWWQNUSA-N 0 3 272.348 2.597 20 30 CFEDHN CN(CCOCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000292906130 263136306 /nfs/dbraw/zinc/13/63/06/263136306.db2.gz WMANKBUGJBSDJF-JKSUJKDBSA-N 0 3 258.365 2.827 20 30 CFEDHN N#CCCOCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000292912792 263136378 /nfs/dbraw/zinc/13/63/78/263136378.db2.gz BELXOKSWOADQSQ-HNNXBMFYSA-N 0 3 294.782 2.723 20 30 CFEDHN CN(CCOCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000292906125 263136411 /nfs/dbraw/zinc/13/64/11/263136411.db2.gz WMANKBUGJBSDJF-CVEARBPZSA-N 0 3 258.365 2.827 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293101143 263137859 /nfs/dbraw/zinc/13/78/59/263137859.db2.gz NVJCALIHFFYURT-RDJZCZTQSA-N 0 3 299.418 2.903 20 30 CFEDHN COc1ccc(CN(CCOCCC#N)C2CC2)cc1 ZINC000293427899 263140249 /nfs/dbraw/zinc/14/02/49/263140249.db2.gz JDSFAQNOOUSUHK-UHFFFAOYSA-N 0 3 274.364 2.590 20 30 CFEDHN C=CCN(CCOCCC#N)CCc1ccccc1 ZINC000293594326 263143843 /nfs/dbraw/zinc/14/38/43/263143843.db2.gz UQOIZMLKWVFQIJ-UHFFFAOYSA-N 0 3 258.365 2.647 20 30 CFEDHN COc1cc(C)c([C@H](C)NCCOCCC#N)cc1OC ZINC000293744093 263148564 /nfs/dbraw/zinc/14/85/64/263148564.db2.gz HZNDHEHJZUSBMX-ZDUSSCGKSA-N 0 3 292.379 2.593 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000293763200 263149148 /nfs/dbraw/zinc/14/91/48/263149148.db2.gz RNNYEUCJOTXODM-WBVHZDCISA-N 0 3 299.418 2.695 20 30 CFEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2NCc2ccco2)O1 ZINC000366701236 263164045 /nfs/dbraw/zinc/16/40/45/263164045.db2.gz YMQTXPKHSXOWNX-NGFQHRJXSA-N 0 3 260.337 2.609 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](C)c2ccncc2F)CC1 ZINC000340473938 263165324 /nfs/dbraw/zinc/16/53/24/263165324.db2.gz IFSJTADXUQELBY-CYBMUJFWSA-N 0 3 277.387 2.912 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3cncn3c2)C1 ZINC000297499623 263205529 /nfs/dbraw/zinc/20/55/29/263205529.db2.gz LHARLDNJPHILCC-OCCSQVGLSA-N 0 3 254.337 2.506 20 30 CFEDHN COc1cc(CN(C)[C@H](C)CCC#N)cc(OC)c1 ZINC000298302253 263217287 /nfs/dbraw/zinc/21/72/87/263217287.db2.gz YEDJUFAUPPKDAE-GFCCVEGCSA-N 0 3 262.353 2.828 20 30 CFEDHN C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000298471393 263219949 /nfs/dbraw/zinc/21/99/49/263219949.db2.gz CDMFGCSJPXACRP-GFCCVEGCSA-N 0 3 288.395 2.559 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000298615267 263222925 /nfs/dbraw/zinc/22/29/25/263222925.db2.gz UFZMHJBVAAPXOU-CABCVRRESA-N 0 3 285.391 2.664 20 30 CFEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc2c(c1)CC(=O)N2C ZINC000299164545 263232633 /nfs/dbraw/zinc/23/26/33/263232633.db2.gz XRUACIVQZQZYAQ-NWDGAFQWSA-N 0 3 271.364 2.548 20 30 CFEDHN C[C@H](C#N)CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299279526 263237318 /nfs/dbraw/zinc/23/73/18/263237318.db2.gz YQHIARNSAGKHOX-OAHLLOKOSA-N 0 3 299.418 2.904 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000299341053 263240488 /nfs/dbraw/zinc/24/04/88/263240488.db2.gz QIDXFVCCQJVTPY-UONOGXRCSA-N 0 3 283.379 2.601 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(C(=O)OC)cs1 ZINC000453365306 263252888 /nfs/dbraw/zinc/25/28/88/263252888.db2.gz RLCYUCGNPKDKFJ-ZYHUDNBSSA-N 0 3 283.393 2.512 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000299708449 263253089 /nfs/dbraw/zinc/25/30/89/263253089.db2.gz PVVGSCISOHSYPZ-CHWSQXEVSA-N 0 3 287.363 2.986 20 30 CFEDHN C=CCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000119662043 263275467 /nfs/dbraw/zinc/27/54/67/263275467.db2.gz CGQILVVWROBBNL-ZBFHGGJFSA-N 0 3 272.392 2.589 20 30 CFEDHN C=CCN(CC[C@H]1CCOC1=O)Cc1ccccc1 ZINC000120135324 263281892 /nfs/dbraw/zinc/28/18/92/263281892.db2.gz KROSOHPSRGEBTG-HNNXBMFYSA-N 0 3 259.349 2.628 20 30 CFEDHN C=CCN(CCc1ccccc1)CC[C@H]1CCOC1=O ZINC000120283427 263283887 /nfs/dbraw/zinc/28/38/87/263283887.db2.gz ZPYKSRVFXOSKDX-INIZCTEOSA-N 0 3 273.376 2.670 20 30 CFEDHN CC(C)CN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000340687465 263292896 /nfs/dbraw/zinc/29/28/96/263292896.db2.gz RLNJNTJIOHAYKR-CKDBGZEDSA-N 0 3 293.455 2.894 20 30 CFEDHN C=C(C)CNCc1cccc(OC)c1OC(F)F ZINC000122532370 263302168 /nfs/dbraw/zinc/30/21/68/263302168.db2.gz LDPGTZQQSCFTRQ-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN C=CCCC[C@@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000340923120 263315404 /nfs/dbraw/zinc/31/54/04/263315404.db2.gz QWNKGLJFJKQNQP-MNOVXSKESA-N 0 3 251.292 2.730 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(Cl)cccc1OC ZINC000341302096 263333184 /nfs/dbraw/zinc/33/31/84/263333184.db2.gz MFOPNAORJCRJPQ-LLVKDONJSA-N 0 3 269.772 2.623 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341648694 263345641 /nfs/dbraw/zinc/34/56/41/263345641.db2.gz JDPHUQXCCLXAOR-OFQRWUPVSA-N 0 3 287.407 2.523 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(OC)cc1F ZINC000341870133 263360645 /nfs/dbraw/zinc/36/06/45/263360645.db2.gz BCCSVTXWAJXHGA-NWDGAFQWSA-N 0 3 267.344 2.670 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccccc1OCC ZINC000341879903 263362188 /nfs/dbraw/zinc/36/21/88/263362188.db2.gz VFVRKXIYLHJWGQ-KBPBESRZSA-N 0 3 263.381 2.921 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000341884561 263363477 /nfs/dbraw/zinc/36/34/77/263363477.db2.gz VSGGLRWOOHSGPZ-MNOVXSKESA-N 0 3 255.308 2.800 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@H]1C(F)F ZINC000342228067 263411974 /nfs/dbraw/zinc/41/19/74/263411974.db2.gz PLINXSSMQRDPIC-NEPJUHHUSA-N 0 3 253.292 2.995 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000122582445 263803905 /nfs/dbraw/zinc/80/39/05/263803905.db2.gz OHAZPPKDVSZQAF-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C)nc(OC)c1 ZINC000330677156 264014735 /nfs/dbraw/zinc/01/47/35/264014735.db2.gz UYCYMKFOCZLUND-AWEZNQCLSA-N 0 3 291.395 2.578 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CC#N)cc1 ZINC000330899068 264078877 /nfs/dbraw/zinc/07/88/77/264078877.db2.gz ITFKMGBJOFCZBQ-BETUJISGSA-N 0 3 271.364 2.564 20 30 CFEDHN CC(C)C(=O)NC1CCN(CCCC(C)(C)C#N)CC1 ZINC000330987727 264104431 /nfs/dbraw/zinc/10/44/31/264104431.db2.gz JFZIGIUXOQKULY-UHFFFAOYSA-N 0 3 279.428 2.553 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CCN1C ZINC000331073205 264114514 /nfs/dbraw/zinc/11/45/14/264114514.db2.gz UFPRXEYNQOEDAO-OIISXLGYSA-N 0 3 299.418 2.673 20 30 CFEDHN C=CCC[C@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000425353091 264124895 /nfs/dbraw/zinc/12/48/95/264124895.db2.gz LAYMMIVFGHWAJN-LBPRGKRZSA-N 0 3 292.379 2.587 20 30 CFEDHN CC[C@@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)N(C)C ZINC000331308111 264185508 /nfs/dbraw/zinc/18/55/08/264185508.db2.gz BHZKODASLRLHFW-UUCFBXCCSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000076735815 264342883 /nfs/dbraw/zinc/34/28/83/264342883.db2.gz NIGYTTZSQMSAMQ-ZDUSSCGKSA-N 0 3 278.371 2.728 20 30 CFEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@@H]1O ZINC000190061249 264344058 /nfs/dbraw/zinc/34/40/58/264344058.db2.gz AOFRQEMXRPRZCB-PBHICJAKSA-N 0 3 288.391 2.572 20 30 CFEDHN C#CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000291812380 264854765 /nfs/dbraw/zinc/85/47/65/264854765.db2.gz ARSAFFCFYATKGV-KRWDZBQOSA-N 0 3 284.403 2.599 20 30 CFEDHN CCCCOc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345808465 265100579 /nfs/dbraw/zinc/10/05/79/265100579.db2.gz BVZVLGCYUYORMV-GFCCVEGCSA-N 0 3 260.337 2.641 20 30 CFEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)c1ccco1 ZINC000093492090 265182451 /nfs/dbraw/zinc/18/24/51/265182451.db2.gz AGLJNVWOVWEDAG-ZDUSSCGKSA-N 0 3 275.377 2.605 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000320923547 266014549 /nfs/dbraw/zinc/01/45/49/266014549.db2.gz DANLSAQIHYIDHJ-LLVKDONJSA-N 0 3 268.426 2.857 20 30 CFEDHN CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000356207749 266071697 /nfs/dbraw/zinc/07/16/97/266071697.db2.gz RGTKICCYOJCIIM-DLBZAZTESA-N 0 3 299.418 2.627 20 30 CFEDHN CC(C#N)C(=O)N(C)C1CCC(C(F)(F)F)CC1 ZINC000356575947 266140544 /nfs/dbraw/zinc/14/05/44/266140544.db2.gz IJCNBJNOLSONIE-XNWIYYODSA-N 0 3 262.275 2.726 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357273438 266270904 /nfs/dbraw/zinc/27/09/04/266270904.db2.gz MXJACTRQMZSTEK-YDHLFZDLSA-N 0 3 275.396 2.552 20 30 CFEDHN COc1ccccc1C[C@@H](NC(=O)C(C)C#N)C(C)C ZINC000357311811 266273581 /nfs/dbraw/zinc/27/35/81/266273581.db2.gz XJHDBFIDLGBMBI-TZMCWYRMSA-N 0 3 274.364 2.538 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@H](CC)CC[C@@H]1C ZINC000357557158 266323197 /nfs/dbraw/zinc/32/31/97/266323197.db2.gz YPGFYEWNPFIARX-UONOGXRCSA-N 0 3 252.402 2.674 20 30 CFEDHN COc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000357794221 266364702 /nfs/dbraw/zinc/36/47/02/266364702.db2.gz FBSAQELYBGMQKN-GFCCVEGCSA-N 0 3 299.305 2.731 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1OC ZINC000357811935 266370592 /nfs/dbraw/zinc/37/05/92/266370592.db2.gz YKLCSYFVGFKBKX-WCQYABFASA-N 0 3 288.347 2.527 20 30 CFEDHN COc1ccc2cc(CNC(=O)C(C)C#N)ccc2c1 ZINC000357837639 266374243 /nfs/dbraw/zinc/37/42/43/266374243.db2.gz SZBYFUAEYJGHPZ-LLVKDONJSA-N 0 3 268.316 2.624 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000357843758 266376031 /nfs/dbraw/zinc/37/60/31/266376031.db2.gz XTKMRRMMYUCOCA-BDAKNGLRSA-N 0 3 268.263 2.625 20 30 CFEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1(C#N)CCC1)N(C)C ZINC000357880201 266382040 /nfs/dbraw/zinc/38/20/40/266382040.db2.gz WERBUDUKAHJJGV-GDBMZVCRSA-N 0 3 299.418 2.796 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000362955266 267067083 /nfs/dbraw/zinc/06/70/83/267067083.db2.gz PSTUJJSVYYQGIQ-CQSZACIVSA-N 0 3 258.365 2.708 20 30 CFEDHN C=CCN(CC)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000362989351 267070952 /nfs/dbraw/zinc/07/09/52/267070952.db2.gz KWIMYIPSARYETA-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1CCCN(CC)CC1 ZINC000368003854 267133504 /nfs/dbraw/zinc/13/35/04/267133504.db2.gz BJOHBCZWBFQJGJ-OAHLLOKOSA-N 0 3 297.443 2.512 20 30 CFEDHN N#CCCCCN1CCC(CO)(Nc2ccccc2)CC1 ZINC000368435089 267171862 /nfs/dbraw/zinc/17/18/62/267171862.db2.gz XUVXJKYUCPQLFF-UHFFFAOYSA-N 0 3 287.407 2.619 20 30 CFEDHN C#CCCCC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000368460988 267173909 /nfs/dbraw/zinc/17/39/09/267173909.db2.gz GBRJFRWMZKTPHP-KRWDZBQOSA-N 0 3 298.430 2.913 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC(C)(C)C#N)C1 ZINC000368475540 267176580 /nfs/dbraw/zinc/17/65/80/267176580.db2.gz UDGKOALLAHWZTL-INIZCTEOSA-N 0 3 299.418 2.659 20 30 CFEDHN N#CCCCN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000368911872 267212669 /nfs/dbraw/zinc/21/26/69/267212669.db2.gz QNHMAVGZGDCDQQ-HOTGVXAUSA-N 0 3 258.365 2.878 20 30 CFEDHN Clc1ccc(C#CCN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000368907520 267213035 /nfs/dbraw/zinc/21/30/35/267213035.db2.gz XEUULKVOEMZZHS-HZPDHXFCSA-N 0 3 275.779 2.849 20 30 CFEDHN C[C@@H]1OCC[C@]12CN(CCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000369389180 267239173 /nfs/dbraw/zinc/23/91/73/267239173.db2.gz MHEUPUARVKLNDI-YCPHGPKFSA-N 0 3 280.412 2.585 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000369556311 267250077 /nfs/dbraw/zinc/25/00/77/267250077.db2.gz KVSLEIGPAHBOFW-GOEBONIOSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000369568160 267251966 /nfs/dbraw/zinc/25/19/66/267251966.db2.gz KCHCQOJBRPHPQQ-IUODEOHRSA-N 0 3 278.421 2.823 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(C2CCCC2)CC1 ZINC000369810929 267267251 /nfs/dbraw/zinc/26/72/51/267267251.db2.gz ZYDUITNIKPCBHT-CQSZACIVSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN(C[C@H](C)CS(C)(=O)=O)CC1CCCCC1 ZINC000119130259 267302456 /nfs/dbraw/zinc/30/24/56/267302456.db2.gz XSZDMZPDUCYIET-AWEZNQCLSA-N 0 3 287.469 2.735 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](CC(C)C)C1 ZINC000119227542 267311451 /nfs/dbraw/zinc/31/14/51/267311451.db2.gz ADTFVJQRZMODSC-HZPDHXFCSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCN(CC(C)C)CC1 ZINC000370440215 267318566 /nfs/dbraw/zinc/31/85/66/267318566.db2.gz FZZWIGNDRIUJEK-UHFFFAOYSA-N 0 3 278.440 2.945 20 30 CFEDHN CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(C#N)s1 ZINC000527805040 267329661 /nfs/dbraw/zinc/32/96/61/267329661.db2.gz HOKKIJJGFURDPU-OAHLLOKOSA-N 0 3 297.383 2.536 20 30 CFEDHN N#CC1(CNC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000418140277 267362202 /nfs/dbraw/zinc/36/22/02/267362202.db2.gz JDJTYYGZVWYKNH-UHFFFAOYSA-N 0 3 283.419 2.934 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000371209109 267371928 /nfs/dbraw/zinc/37/19/28/267371928.db2.gz SCHWYAUEULAZGJ-IRXDYDNUSA-N 0 3 273.376 2.909 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3CC[C@@H]2CO)C1 ZINC000373211565 267649959 /nfs/dbraw/zinc/64/99/59/267649959.db2.gz VLLKTHDUUGSEFN-KBEGMRNHSA-N 0 3 284.403 2.954 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000376876472 268026476 /nfs/dbraw/zinc/02/64/76/268026476.db2.gz WGPVTTFRBKJUCX-AEFFLSMTSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000377045905 268042883 /nfs/dbraw/zinc/04/28/83/268042883.db2.gz KZDZMMMIESWIAM-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN N#Cc1ccc(C2(NC/C=C/Cl)CCOCC2)cc1 ZINC000528779598 268211211 /nfs/dbraw/zinc/21/12/11/268211211.db2.gz VYQWEIOHBDMGRC-UNXLUWIOSA-N 0 3 276.767 2.906 20 30 CFEDHN N#Cc1ccc(C2(NCc3ccncc3)CCOCC2)cc1 ZINC000527812548 268212008 /nfs/dbraw/zinc/21/20/08/268212008.db2.gz RFVRLGUKFKNRJM-UHFFFAOYSA-N 0 3 293.370 2.749 20 30 CFEDHN C[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000030532722 270224641 /nfs/dbraw/zinc/22/46/41/270224641.db2.gz XZSACOCQUBRWBM-PBHICJAKSA-N 0 3 296.370 2.649 20 30 CFEDHN N#Cc1ccncc1N1CCN(CC23CCC(CC2)C3)CC1 ZINC000517216730 270399793 /nfs/dbraw/zinc/39/97/93/270399793.db2.gz ONNLMYKCZRKVLG-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN N#Cc1ccc(N2CCC[C@@H](NCC3(F)CC3)C2)c(F)c1 ZINC000527227719 270498038 /nfs/dbraw/zinc/49/80/38/270498038.db2.gz UCYYCAYWBDBSNJ-CYBMUJFWSA-N 0 3 291.345 2.758 20 30 CFEDHN CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H](O)C(F)F ZINC000453272970 273753237 /nfs/dbraw/zinc/75/32/37/273753237.db2.gz SSBMSNULSWIHRM-IHRRRGAJSA-N 0 3 280.318 2.540 20 30 CFEDHN C[C@@H]1CCCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248575730 274284844 /nfs/dbraw/zinc/28/48/44/274284844.db2.gz TUFUFIGCCFAEJC-PBHICJAKSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)CN1C1CC1 ZINC000329727448 274388502 /nfs/dbraw/zinc/38/85/02/274388502.db2.gz OTTSPLCOLZMZDX-TZMCWYRMSA-N 0 3 292.386 2.565 20 30 CFEDHN C=C(C)CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000336625776 275417848 /nfs/dbraw/zinc/41/78/48/275417848.db2.gz WOZDVPLXFDZRGK-UHFFFAOYSA-N 0 3 259.397 2.975 20 30 CFEDHN C=C(Cl)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000288295201 275741165 /nfs/dbraw/zinc/74/11/65/275741165.db2.gz WMLXSSKZOPVUBA-GXTWGEPZSA-N 0 3 295.814 2.730 20 30 CFEDHN CC(=O)N[C@H](C)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000331264736 275787130 /nfs/dbraw/zinc/78/71/30/275787130.db2.gz GPSXITOGKWNTMS-KGLIPLIRSA-N 0 3 299.418 2.856 20 30 CFEDHN CCN(C)C(=O)[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000453298439 276067905 /nfs/dbraw/zinc/06/79/05/276067905.db2.gz XUIHWWXNVPNUJL-IRXDYDNUSA-N 0 3 299.418 2.638 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC000298149909 276861082 /nfs/dbraw/zinc/86/10/82/276861082.db2.gz CRTIUADYQLLUBF-INIZCTEOSA-N 0 3 274.408 2.932 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000348169028 276881821 /nfs/dbraw/zinc/88/18/21/276881821.db2.gz OYDHDEKSHXZUCD-IIAWOOMASA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCCCCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000274538945 276883608 /nfs/dbraw/zinc/88/36/08/276883608.db2.gz SWZMGVIBGNMILQ-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN CN1CCC2(CCCN2C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000334454180 277037549 /nfs/dbraw/zinc/03/75/49/277037549.db2.gz DZTCQZZFDOKIRR-UHFFFAOYSA-N 0 3 298.390 2.650 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3nccc(C#N)c3Cl)C2)C1 ZINC000338747833 277072811 /nfs/dbraw/zinc/07/28/11/277072811.db2.gz VEYOTEVLYNZJKB-OAHLLOKOSA-N 0 3 290.798 2.529 20 30 CFEDHN CN1CC[C@H]2CCN(c3c(Cl)cccc3C#N)C[C@@H]21 ZINC000375036765 277178126 /nfs/dbraw/zinc/17/81/26/277178126.db2.gz HOGIXXVRIRTHKD-FZMZJTMJSA-N 0 3 275.783 2.742 20 30 CFEDHN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(CCCC#N)C2 ZINC000367196794 277206904 /nfs/dbraw/zinc/20/69/04/277206904.db2.gz UHQMCJQBFVIWCL-XJKSGUPXSA-N 0 3 278.396 2.734 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)cn1 ZINC000302036289 278242098 /nfs/dbraw/zinc/24/20/98/278242098.db2.gz UTCJTWZONKWKOI-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H]2OCC[C@H]2C1 ZINC000369655737 278309892 /nfs/dbraw/zinc/30/98/92/278309892.db2.gz PHSYVNFJAPBEQQ-UHOFOFEASA-N 0 3 256.349 2.730 20 30 CFEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(-n2ccnn2)cc1 ZINC000345948868 278342729 /nfs/dbraw/zinc/34/27/29/278342729.db2.gz IQHGWUDQJTYMBZ-CYBMUJFWSA-N 0 3 283.379 2.858 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000185846083 278993403 /nfs/dbraw/zinc/99/34/03/278993403.db2.gz RDPDTTAHNHNKLY-DLTWYDFYSA-N 0 3 297.402 2.852 20 30 CFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1nc(Cl)c(C#N)s1 ZINC000286558134 279088761 /nfs/dbraw/zinc/08/87/61/279088761.db2.gz WSYPLWKCOUBDLT-ZJUUUORDSA-N 0 3 296.827 2.731 20 30 CFEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000347554367 279495707 /nfs/dbraw/zinc/49/57/07/279495707.db2.gz KBZMWRDZHBJVMP-BLLLJJGKSA-N 0 3 285.391 2.643 20 30 CFEDHN CC[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278873583 280193628 /nfs/dbraw/zinc/19/36/28/280193628.db2.gz XEXINQHPHSBPSV-HZPDHXFCSA-N 0 3 299.418 2.998 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419247798 280261615 /nfs/dbraw/zinc/26/16/15/280261615.db2.gz XFKTXFVZRQJFFA-OIISXLGYSA-N 0 3 299.418 2.891 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000342216152 280313026 /nfs/dbraw/zinc/31/30/26/280313026.db2.gz CGJAQFCJTBWCJD-OAHLLOKOSA-N 0 3 294.402 2.616 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1C(=O)OC(C)(C)C ZINC000332394095 288250326 /nfs/dbraw/zinc/25/03/26/288250326.db2.gz SFJIRJHBBDPQJU-AAVRWANBSA-N 0 3 278.396 2.588 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000255085946 281086930 /nfs/dbraw/zinc/08/69/30/281086930.db2.gz CCNQSJZWEPJZEO-JCVMBZQJSA-N 0 3 297.402 2.513 20 30 CFEDHN C[C@@H](CN1CCCCC1)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000255399054 281097052 /nfs/dbraw/zinc/09/70/52/281097052.db2.gz YOSUOOBKMQHWNO-CDNLZTBQSA-N 0 3 297.402 2.562 20 30 CFEDHN CCc1ccc(C#CC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000293090106 281390419 /nfs/dbraw/zinc/39/04/19/281390419.db2.gz DWYZWGOUZTXVMU-QAPCUYQASA-N 0 3 298.430 2.542 20 30 CFEDHN N#Cc1cnccc1NCCN1CCC2(CCCCC2)CC1 ZINC000561320069 282052861 /nfs/dbraw/zinc/05/28/61/282052861.db2.gz NBIGEASHQDYERI-UHFFFAOYSA-N 0 3 298.434 2.833 20 30 CFEDHN N#Cc1ccsc1NC(=O)CN(CC1CC1)C1CCC1 ZINC000562318092 282074660 /nfs/dbraw/zinc/07/46/60/282074660.db2.gz QWSOINBWVOSTGT-UHFFFAOYSA-N 0 3 289.404 2.823 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000346331221 289235794 /nfs/dbraw/zinc/23/57/94/289235794.db2.gz MFKBZVREYSMNGN-VNHYZAJKSA-N 0 3 256.349 2.798 20 30 CFEDHN C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(C#N)c1 ZINC000153742829 289876016 /nfs/dbraw/zinc/87/60/16/289876016.db2.gz LYMYPAAFWAUIHA-SMDDNHRTSA-N 0 3 297.324 2.845 20 30 CFEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000346936511 289942529 /nfs/dbraw/zinc/94/25/29/289942529.db2.gz FVYQKIULSACFKN-AWEZNQCLSA-N 0 3 299.418 2.505 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([C@H](C)O)C1 ZINC000305638815 290008836 /nfs/dbraw/zinc/00/88/36/290008836.db2.gz JCNSIMNWZVPUQU-WWGRRREGSA-N 0 3 258.365 2.712 20 30 CFEDHN C[C@@H]1C[C@H](C)N([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000562502685 290048739 /nfs/dbraw/zinc/04/87/39/290048739.db2.gz PRXBMSFAEVJRKC-JKIFEVAISA-N 0 3 297.402 2.784 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000562624876 290060416 /nfs/dbraw/zinc/06/04/16/290060416.db2.gz PEASVTHGCYRSPT-MRXNPFEDSA-N 0 3 298.390 2.569 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C1 ZINC000334236067 290159322 /nfs/dbraw/zinc/15/93/22/290159322.db2.gz KWLLQVRONUJMHY-ABAIWWIYSA-N 0 3 275.783 2.742 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339613919 290221764 /nfs/dbraw/zinc/22/17/64/290221764.db2.gz HCKZIFSRDFIUDP-MELADBBJSA-N 0 3 257.381 2.644 20 30 CFEDHN CC[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000564988903 290255383 /nfs/dbraw/zinc/25/53/83/290255383.db2.gz FXPDMIGNEQHXQH-CYBMUJFWSA-N 0 3 283.379 2.613 20 30 CFEDHN C[C@H](CO)N(Cc1ccc(C#N)s1)C1CCCC1 ZINC000565548115 290309113 /nfs/dbraw/zinc/30/91/13/290309113.db2.gz FWKKNTDPNPCWGQ-LLVKDONJSA-N 0 3 264.394 2.745 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000568125978 290525629 /nfs/dbraw/zinc/52/56/29/290525629.db2.gz YPCLQYOSFDPWMB-OMNBBPDLSA-N 0 3 297.402 2.688 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001085461829 782062658 /nfs/dbraw/zinc/06/26/58/782062658.db2.gz OPGQVOVRHVWLQV-CYBMUJFWSA-N 0 3 276.355 2.548 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462862 782062930 /nfs/dbraw/zinc/06/29/30/782062930.db2.gz PJILCTRVMVYOHP-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085483598 782077074 /nfs/dbraw/zinc/07/70/74/782077074.db2.gz HEYCZAPDWDHWLY-ZDUSSCGKSA-N 0 3 295.814 2.781 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000574958594 327667952 /nfs/dbraw/zinc/66/79/52/327667952.db2.gz DDPCHHKJDLQUDI-PWSUYJOCSA-N 0 3 299.212 2.822 20 30 CFEDHN C=CCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000117874907 327933934 /nfs/dbraw/zinc/93/39/34/327933934.db2.gz DUDLKCTXMUGXTI-UHFFFAOYSA-N 0 3 265.788 2.823 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2C)CC1 ZINC000337005980 327948811 /nfs/dbraw/zinc/94/88/11/327948811.db2.gz AYKZQIUSEGFEFK-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000339261022 328003874 /nfs/dbraw/zinc/00/38/74/328003874.db2.gz QKMJACSEUSCMTF-KRWDZBQOSA-N 0 3 293.370 2.779 20 30 CFEDHN C=CCCCCCN1CCO[C@@H]2CCN(CC)C[C@H]21 ZINC000339391665 328009353 /nfs/dbraw/zinc/00/93/53/328009353.db2.gz BYRVJULMMIHZOG-HZPDHXFCSA-N 0 3 266.429 2.528 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C(=O)NCC)C(C)C)cc1 ZINC000339431136 328010733 /nfs/dbraw/zinc/01/07/33/328010733.db2.gz TVDGBNIZIPQSHL-INIZCTEOSA-N 0 3 290.407 2.502 20 30 CFEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1CC(C)(C)C1 ZINC000412041697 328102039 /nfs/dbraw/zinc/10/20/39/328102039.db2.gz SVISBHLEEGIQPC-MRXNPFEDSA-N 0 3 279.428 2.551 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC)C1CC(C)(C)C1 ZINC000412043000 328102605 /nfs/dbraw/zinc/10/26/05/328102605.db2.gz VYDIJCKGPDZLER-ZDUSSCGKSA-N 0 3 279.428 2.505 20 30 CFEDHN CO[C@@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1(C)C ZINC000451483171 328146799 /nfs/dbraw/zinc/14/67/99/328146799.db2.gz ASMVLMSBTPZLSI-HUUCEWRRSA-N 0 3 261.340 2.580 20 30 CFEDHN C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000267608675 328179635 /nfs/dbraw/zinc/17/96/35/328179635.db2.gz AURYLFHHQCILPY-HUUCEWRRSA-N 0 3 285.391 2.521 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000451956798 328204627 /nfs/dbraw/zinc/20/46/27/328204627.db2.gz AMWNNYTXWDTKQX-SQWLQELKSA-N 0 3 279.428 2.551 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2ccc(F)cc2)C1 ZINC000278795794 328230267 /nfs/dbraw/zinc/23/02/67/328230267.db2.gz QVOBUNATUBDPFW-BYCMXARLSA-N 0 3 262.328 2.531 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)CCCC#N)c1ccccc1 ZINC000290903763 328261004 /nfs/dbraw/zinc/26/10/04/328261004.db2.gz FKTPVNUINZQYEL-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)C1CCCC1 ZINC000185250710 329269638 /nfs/dbraw/zinc/26/96/38/329269638.db2.gz UFYBCGSTJLQFDX-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN N#CCCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000291527250 328264308 /nfs/dbraw/zinc/26/43/08/328264308.db2.gz PRQLRKZCKHBMHG-OAHLLOKOSA-N 0 3 283.375 2.691 20 30 CFEDHN C[C@@H](NCCCC#N)[C@H]1OCCc2sccc21 ZINC000292311186 328269483 /nfs/dbraw/zinc/26/94/83/328269483.db2.gz DRUNSBNJBIHOPL-ZWNOBZJWSA-N 0 3 250.367 2.644 20 30 CFEDHN CC1(C#N)CCN(CCN2CCc3ccccc32)CC1 ZINC000292665333 328273088 /nfs/dbraw/zinc/27/30/88/328273088.db2.gz BGGAXUUHUWZYDF-UHFFFAOYSA-N 0 3 269.392 2.675 20 30 CFEDHN CN(C[C@@H]1OCCc2ccccc21)[C@H]1CC[C@@H](C#N)C1 ZINC000293269423 328274976 /nfs/dbraw/zinc/27/49/76/328274976.db2.gz XXMYEOWJTOXJKT-KMFMINBZSA-N 0 3 270.376 2.924 20 30 CFEDHN C=CCCCN1CCN(Cc2ccsc2)CC1 ZINC000534525938 328305206 /nfs/dbraw/zinc/30/52/06/328305206.db2.gz MXXQGGSKNWPDJF-UHFFFAOYSA-N 0 3 250.411 2.832 20 30 CFEDHN N#Cc1csc(CN[C@H]2COc3cc(F)ccc3C2)c1 ZINC000572857385 322634880 /nfs/dbraw/zinc/63/48/80/322634880.db2.gz VSEABZYFVNIECP-CYBMUJFWSA-N 0 3 288.347 2.852 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1cccs1 ZINC000121079690 328365028 /nfs/dbraw/zinc/36/50/28/328365028.db2.gz CSVZMPRYUSQQSE-LBPRGKRZSA-N 0 3 266.410 2.651 20 30 CFEDHN N#Cc1cnn2cc(CN(C3CCC3)C3CCC3)cnc12 ZINC000574572732 322697742 /nfs/dbraw/zinc/69/77/42/322697742.db2.gz FGVQOZRIAIZALU-UHFFFAOYSA-N 0 3 281.363 2.508 20 30 CFEDHN C=CCCC1(C(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000575319114 335092950 /nfs/dbraw/zinc/09/29/50/335092950.db2.gz HAPGFNGLNIVZHB-CQSZACIVSA-N 0 3 278.440 2.922 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCc3ccccc32)o1 ZINC000174376093 323648211 /nfs/dbraw/zinc/64/82/11/323648211.db2.gz KNEBALZKQCOTII-CYBMUJFWSA-N 0 3 252.317 2.971 20 30 CFEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cc2n(n1)CCC2 ZINC000582347772 325197122 /nfs/dbraw/zinc/19/71/22/325197122.db2.gz SYGNZYVWGZBZCC-CYBMUJFWSA-N 0 3 280.375 2.594 20 30 CFEDHN CCN1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O ZINC000584154873 325334256 /nfs/dbraw/zinc/33/42/56/325334256.db2.gz NQBCUJPXSKCFBP-DOTOQJQBSA-N 0 3 297.402 2.536 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000291566733 328533681 /nfs/dbraw/zinc/53/36/81/328533681.db2.gz NNTXVEDJYRZTNF-QJPTWQEYSA-N 0 3 276.405 2.925 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000320604569 328538540 /nfs/dbraw/zinc/53/85/40/328538540.db2.gz DRJCVERFNXGVFM-STQMWFEESA-N 0 3 279.380 2.682 20 30 CFEDHN CN1CCC(Nc2cccc(OCCCC#N)c2)CC1 ZINC000037777380 326861544 /nfs/dbraw/zinc/86/15/44/326861544.db2.gz KUQOFNZVPFVKQY-UHFFFAOYSA-N 0 3 273.380 2.875 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2C)CC1 ZINC000255440323 326974111 /nfs/dbraw/zinc/97/41/11/326974111.db2.gz KCGYGOSOKZEKSJ-HJWRWDBZSA-N 0 3 284.403 2.775 20 30 CFEDHN CC#CCN[C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000556886680 326977888 /nfs/dbraw/zinc/97/78/88/326977888.db2.gz SDKLGNJEBWERRJ-ZACQAIPSSA-N 0 3 257.377 2.951 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000557968626 327038059 /nfs/dbraw/zinc/03/80/59/327038059.db2.gz KWQHBQQHWZXWDP-AGIUHOORSA-N 0 3 278.302 2.529 20 30 CFEDHN CC1(CN2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000558622388 327109269 /nfs/dbraw/zinc/10/92/69/327109269.db2.gz DDDKJJSTXNMFQC-UHFFFAOYSA-N 0 3 255.365 2.739 20 30 CFEDHN CN(CCCSCC#N)CCOc1ccccc1F ZINC000074981055 327122790 /nfs/dbraw/zinc/12/27/90/327122790.db2.gz IAIWVEJQKFWBTO-UHFFFAOYSA-N 0 3 282.384 2.783 20 30 CFEDHN Cc1cccc(OCCN(C)CCCSCC#N)c1 ZINC000074981051 327122912 /nfs/dbraw/zinc/12/29/12/327122912.db2.gz TWQUENCTNWPGBJ-UHFFFAOYSA-N 0 3 278.421 2.953 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(Nc3ccccn3)CC2)C1 ZINC000559145694 327142869 /nfs/dbraw/zinc/14/28/69/327142869.db2.gz QAEIFYDORJJDDD-HIFRSBDPSA-N 0 3 270.380 2.650 20 30 CFEDHN COc1ccc(N2CCN(CCCCC#N)CC2)cc1F ZINC000084866937 327150864 /nfs/dbraw/zinc/15/08/64/327150864.db2.gz NUROCFPPWAUMOZ-UHFFFAOYSA-N 0 3 291.370 2.650 20 30 CFEDHN C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)CC12CCCCC2 ZINC000518515559 327171080 /nfs/dbraw/zinc/17/10/80/327171080.db2.gz DFWKNNBOUYMJOV-GJZGRUSLSA-N 0 3 291.439 2.826 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)F)cc1 ZINC000449429163 327202882 /nfs/dbraw/zinc/20/28/82/327202882.db2.gz ZJPLYBZGFNZCOC-KBPBESRZSA-N 0 3 285.334 2.746 20 30 CFEDHN C=C(C)CN1CC[C@H](OCc2csc(C)n2)C1 ZINC000363730998 327232534 /nfs/dbraw/zinc/23/25/34/327232534.db2.gz CMMAFWQDKFTMBU-ZDUSSCGKSA-N 0 3 252.383 2.619 20 30 CFEDHN C=CCC[C@@H](O)CN1CCOC2(C1)CCCCCC2 ZINC000119681091 327246898 /nfs/dbraw/zinc/24/68/98/327246898.db2.gz HQGQOKHWWGJDLI-OAHLLOKOSA-N 0 3 267.413 2.739 20 30 CFEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000112545361 327286470 /nfs/dbraw/zinc/28/64/70/327286470.db2.gz OHHMSFUUJXLNTE-GJZGRUSLSA-N 0 3 287.407 2.715 20 30 CFEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@@H](C)C2CC2)cc1 ZINC000566453563 327374175 /nfs/dbraw/zinc/37/41/75/327374175.db2.gz ZEAIEQPKLCWPMM-STQMWFEESA-N 0 3 286.375 2.982 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NC1CCCC1 ZINC000150903269 327396998 /nfs/dbraw/zinc/39/69/98/327396998.db2.gz DFQGBUVKJGQERL-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000562524488 327487443 /nfs/dbraw/zinc/48/74/43/327487443.db2.gz WUYRQDFMCURCSI-PWSUYJOCSA-N 0 3 299.296 2.805 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000357530811 328871985 /nfs/dbraw/zinc/87/19/85/328871985.db2.gz ZAJXIOMGYLDRDN-AGIUHOORSA-N 0 3 279.384 2.583 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(=Cc2cc(C)on2)CC1 ZINC000378184074 329042453 /nfs/dbraw/zinc/04/24/53/329042453.db2.gz LJOKAYNKCPVREA-INIZCTEOSA-N 0 3 276.380 2.789 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000378315100 329045748 /nfs/dbraw/zinc/04/57/48/329045748.db2.gz OXXUHSPFERROTD-OAUYIBNBSA-N 0 3 286.375 2.635 20 30 CFEDHN C=CCN1CCC(NC(=O)c2csc(C(C)C)n2)CC1 ZINC000171716396 329079043 /nfs/dbraw/zinc/07/90/43/329079043.db2.gz CXRJZTYVPROEML-UHFFFAOYSA-N 0 3 293.436 2.647 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)CCC)CC1 ZINC000171727684 329079512 /nfs/dbraw/zinc/07/95/12/329079512.db2.gz OFBJZRBEJLHRAT-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000171737945 329079672 /nfs/dbraw/zinc/07/96/72/329079672.db2.gz PEFKOIIFNDDJRM-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)CC2CCCC2)CC1 ZINC000172173401 329081966 /nfs/dbraw/zinc/08/19/66/329081966.db2.gz JQDQMPGQLJFMTK-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCCCN(C)[C@H]1CCN(C(C)C)C1=O ZINC000177686333 329188965 /nfs/dbraw/zinc/18/89/65/329188965.db2.gz ZBUPUAGGPDATKM-AWEZNQCLSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@]3(CCOC3)C2)c1 ZINC000180135832 329211738 /nfs/dbraw/zinc/21/17/38/329211738.db2.gz JDIVMVBCXPJHAB-KRWDZBQOSA-N 0 3 273.376 2.864 20 30 CFEDHN C=CC[C@@H](C)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180952807 329224429 /nfs/dbraw/zinc/22/44/29/329224429.db2.gz KGJPUUVRRCLZHK-GHMZBOCLSA-N 0 3 285.384 2.844 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181280956 329229073 /nfs/dbraw/zinc/22/90/73/329229073.db2.gz BKSCXYBZRZZJOT-GJZGRUSLSA-N 0 3 289.423 2.771 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN(C)CC(=C)C ZINC000181299629 329230474 /nfs/dbraw/zinc/23/04/74/329230474.db2.gz BDHGUILFSSTOGF-INIZCTEOSA-N 0 3 275.392 2.663 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cccc(Cl)c1F ZINC000321065220 329249144 /nfs/dbraw/zinc/24/91/44/329249144.db2.gz YWBLTWUGRBNLFI-NSHDSACASA-N 0 3 257.736 2.896 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OCC(F)(F)F)cc1 ZINC000184282629 329258673 /nfs/dbraw/zinc/25/86/73/329258673.db2.gz CLNNALDSUXGVSN-GFCCVEGCSA-N 0 3 289.297 2.654 20 30 CFEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)C(C)(C)C#N)C1CC1 ZINC000185343252 329270810 /nfs/dbraw/zinc/27/08/10/329270810.db2.gz CQOMIQPWUWBOCZ-INIZCTEOSA-N 0 3 299.418 2.563 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNC[C@@H](C#N)CCC#N ZINC000583049161 329303452 /nfs/dbraw/zinc/30/34/52/329303452.db2.gz QLQOJEOISOKCMR-QLFBSQMISA-N 0 3 277.412 2.861 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000185896609 329334760 /nfs/dbraw/zinc/33/47/60/329334760.db2.gz JPRLGLQRYRMQMM-KKUMJFAQSA-N 0 3 264.413 2.531 20 30 CFEDHN N#CCSCCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186597800 329345997 /nfs/dbraw/zinc/34/59/97/329345997.db2.gz JVCCLHDFAOZXAR-INIZCTEOSA-N 0 3 288.416 2.765 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000321451755 329357095 /nfs/dbraw/zinc/35/70/95/329357095.db2.gz OCTMAFXVGVQDTP-IINYFYTJSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(F)ccc1F ZINC000321448572 329358493 /nfs/dbraw/zinc/35/84/93/329358493.db2.gz NPHQDCKXAAYHFN-ZYHUDNBSSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)[C@H](NCCCNC(C)=O)c1ccc(F)c(F)c1 ZINC000187765740 329360554 /nfs/dbraw/zinc/36/05/54/329360554.db2.gz UIIODPSDXFSPLC-HNNXBMFYSA-N 0 3 282.334 2.698 20 30 CFEDHN C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N1CCCC1 ZINC000530368858 329363248 /nfs/dbraw/zinc/36/32/48/329363248.db2.gz PQZSAUKFBHZKRK-NVXWUHKLSA-N 0 3 299.418 2.674 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(SC)CC1)C(C)C ZINC000189816895 329389161 /nfs/dbraw/zinc/38/91/61/329389161.db2.gz ICMHUSXQAFYCLP-AWEZNQCLSA-N 0 3 296.480 2.697 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418646876 329537988 /nfs/dbraw/zinc/53/79/88/329537988.db2.gz GDDHUGABNNCETD-MRXNPFEDSA-N 0 3 287.407 2.632 20 30 CFEDHN COC[C@@H](C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000237165906 329694132 /nfs/dbraw/zinc/69/41/32/329694132.db2.gz OLELYMDBQWWURJ-CYBMUJFWSA-N 0 3 292.379 2.502 20 30 CFEDHN CC#CCCNCc1c(C)nn(-c2ccccc2)c1C ZINC000158349137 329841031 /nfs/dbraw/zinc/84/10/31/329841031.db2.gz JLQDSLYAGFQZRO-UHFFFAOYSA-N 0 3 267.376 2.992 20 30 CFEDHN CC#CCNC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000161271890 329922770 /nfs/dbraw/zinc/92/27/70/329922770.db2.gz UITWFPUJTAUVRG-UHFFFAOYSA-N 0 3 286.297 2.871 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@]12C[C@H]1CCC2)C(C)C ZINC000421774772 330081920 /nfs/dbraw/zinc/08/19/20/330081920.db2.gz VFSQLERERRUWMM-JFIYKMOQSA-N 0 3 290.451 2.991 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccncc1Cl ZINC000421833249 330091132 /nfs/dbraw/zinc/09/11/32/330091132.db2.gz INXJVBDRFFHCHS-GHMZBOCLSA-N 0 3 254.761 2.570 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CCN(C(=O)CC)C1)c1ccco1 ZINC000278857164 330120678 /nfs/dbraw/zinc/12/06/78/330120678.db2.gz FFXSAWBCBREQDB-UONOGXRCSA-N 0 3 276.380 2.887 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CNCCC1(F)F)c1ccco1 ZINC000423466963 330204579 /nfs/dbraw/zinc/20/45/79/330204579.db2.gz AWSIXEWTKZENQT-DGCLKSJQSA-N 0 3 270.323 2.874 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000424069393 330219758 /nfs/dbraw/zinc/21/97/58/330219758.db2.gz PNDFTVJRRSFDEZ-HUUCEWRRSA-N 0 3 289.354 2.510 20 30 CFEDHN CC(C)c1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424080078 330221708 /nfs/dbraw/zinc/22/17/08/330221708.db2.gz SEGZRXRTZJUGHS-CYBMUJFWSA-N 0 3 259.353 2.770 20 30 CFEDHN CC(C)(C)c1ccc(CNC(=O)[C@H](N)CCCC#N)cc1 ZINC000424082938 330222325 /nfs/dbraw/zinc/22/23/25/330222325.db2.gz MDHHPYJBEKAXCF-OAHLLOKOSA-N 0 3 287.407 2.621 20 30 CFEDHN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424089028 330224458 /nfs/dbraw/zinc/22/44/58/330224458.db2.gz KLROCNVZZOZFAV-HOTGVXAUSA-N 0 3 285.391 2.680 20 30 CFEDHN C[C@@H](c1c(F)cccc1F)N(C)C(=O)[C@H](N)CCCC#N ZINC000424089789 330224533 /nfs/dbraw/zinc/22/45/33/330224533.db2.gz IHFMEWFXXWPMJH-GXFFZTMASA-N 0 3 295.333 2.505 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000424093087 330226377 /nfs/dbraw/zinc/22/63/77/330226377.db2.gz RCZAFPCEQPLYQP-LSDHHAIUSA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)[C@@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424096768 330227540 /nfs/dbraw/zinc/22/75/40/330227540.db2.gz PVNQDRYOYNLEJL-CVEARBPZSA-N 0 3 287.407 2.564 20 30 CFEDHN CCCCC1CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424098349 330229570 /nfs/dbraw/zinc/22/95/70/330229570.db2.gz CPYGUTYIAVUSLS-NRXISQOPSA-N 0 3 279.428 2.873 20 30 CFEDHN Cc1ccc(CN(C(=O)[C@@H](N)CCCC#N)C(C)C)s1 ZINC000424100515 330233198 /nfs/dbraw/zinc/23/31/98/330233198.db2.gz HXFUDMFPHYWDPK-AWEZNQCLSA-N 0 3 293.436 2.815 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC000424109352 330237060 /nfs/dbraw/zinc/23/70/60/330237060.db2.gz ADPXZJDYGDJURK-NSHDSACASA-N 0 3 267.279 2.584 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000424111046 330239310 /nfs/dbraw/zinc/23/93/10/330239310.db2.gz FKWIJKMZEQJRNH-SJORKVTESA-N 0 3 299.418 2.804 20 30 CFEDHN CC1(C)CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424111076 330239581 /nfs/dbraw/zinc/23/95/81/330239581.db2.gz GBFPYZJCHLJTPB-JKSUJKDBSA-N 0 3 299.418 2.936 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000424117469 330243662 /nfs/dbraw/zinc/24/36/62/330243662.db2.gz YXEWIXHXVFZWQA-SJORKVTESA-N 0 3 299.418 2.631 20 30 CFEDHN CC(C)CC1(CNC(=O)[C@@H](N)CCCC#N)CCCC1 ZINC000424123404 330255467 /nfs/dbraw/zinc/25/54/67/330255467.db2.gz KJAMAXMKCQPLBJ-AWEZNQCLSA-N 0 3 279.428 2.730 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424127059 330259324 /nfs/dbraw/zinc/25/93/24/330259324.db2.gz PTCYXJFCVVSNLX-KGLIPLIRSA-N 0 3 295.333 2.553 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424127061 330259383 /nfs/dbraw/zinc/25/93/83/330259383.db2.gz PTCYXJFCVVSNLX-UONOGXRCSA-N 0 3 295.333 2.553 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc(F)ccc1F ZINC000424135722 330270551 /nfs/dbraw/zinc/27/05/51/330270551.db2.gz ZSECREZUWAQAHJ-ZIAGYGMSSA-N 0 3 295.333 2.553 20 30 CFEDHN C=CC(C)(C)CNCc1csc(-c2cnn(C)c2)n1 ZINC000527716600 330276798 /nfs/dbraw/zinc/27/67/98/330276798.db2.gz PVVSMDMZZYEQKB-UHFFFAOYSA-N 0 3 276.409 2.845 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@H](C)CC(C)(C)C2)nn1 ZINC000424169437 330311997 /nfs/dbraw/zinc/31/19/97/330311997.db2.gz ICOJKFNEFPINGL-QWHCGFSZSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CNC[C@@H](c2ccccc2)C(C)C)nn1 ZINC000424175169 330315291 /nfs/dbraw/zinc/31/52/91/330315291.db2.gz STALOTHBXFBLNF-QGZVFWFLSA-N 0 3 284.407 2.994 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000424187836 330320985 /nfs/dbraw/zinc/32/09/85/330320985.db2.gz IRJRDAYARNSSIZ-HOTGVXAUSA-N 0 3 285.391 2.761 20 30 CFEDHN COc1cc2c(c(CN[C@@H]3CC[C@H](C#N)C3)c1)O[C@H](C)C2 ZINC000424194303 330324422 /nfs/dbraw/zinc/32/44/22/330324422.db2.gz LISNTHHYQLMKMK-TYNCELHUSA-N 0 3 286.375 2.800 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](C3CC3)C2)nn1 ZINC000424289801 330334364 /nfs/dbraw/zinc/33/43/64/330334364.db2.gz AIUICUYFCAFBNZ-ZIAGYGMSSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](C)C[C@H]2CC)nn1 ZINC000424290937 330334773 /nfs/dbraw/zinc/33/47/73/330334773.db2.gz CQWLHMITGQOOLN-UMVBOHGHSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCC[C@H](NCCCCS(C)(=O)=O)c1ccco1 ZINC000424291199 330334864 /nfs/dbraw/zinc/33/48/64/330334864.db2.gz DGSJYOXPZARLTL-ZDUSSCGKSA-N 0 3 285.409 2.701 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)Cc2ccccc2)nn1 ZINC000424292512 330335101 /nfs/dbraw/zinc/33/51/01/330335101.db2.gz GXKJHQWSWPDEIL-OAHLLOKOSA-N 0 3 270.380 2.575 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2c2ccccc2)nn1 ZINC000424293788 330335461 /nfs/dbraw/zinc/33/54/61/330335461.db2.gz JHLDJWHXHFTKGW-SJORKVTESA-N 0 3 282.391 2.890 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000424295722 330335955 /nfs/dbraw/zinc/33/59/55/330335955.db2.gz NENYJTFHYDRQAG-CABCVRRESA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)[C@H](C)CCC)nn1 ZINC000424296394 330336066 /nfs/dbraw/zinc/33/60/66/330336066.db2.gz OILSDJHUKLLIRT-OCCSQVGLSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)C2CCCCCC2)nn1 ZINC000424298928 330336815 /nfs/dbraw/zinc/33/68/15/330336815.db2.gz UNMOUFXGIWOJOG-ZDUSSCGKSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@H](CCC(C)C)C2CC2)nn1 ZINC000424299994 330337001 /nfs/dbraw/zinc/33/70/01/330337001.db2.gz WLRDZKDLMRPHIK-OAHLLOKOSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCC[C@H]2C2CC2)nn1 ZINC000424300477 330337097 /nfs/dbraw/zinc/33/70/97/330337097.db2.gz XWFICEYSOKHGSI-LSDHHAIUSA-N 0 3 260.385 2.523 20 30 CFEDHN CC(=O)NCCc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424337694 330343761 /nfs/dbraw/zinc/34/37/61/330343761.db2.gz ZUDQXTYPZIQOHU-RPVQJOFSSA-N 0 3 299.418 2.708 20 30 CFEDHN C=CCCCCCN(C)C(=O)NC1CCN(CC)CC1 ZINC000118984737 330368744 /nfs/dbraw/zinc/36/87/44/330368744.db2.gz CKQMCGADMXRGMC-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc3cnccc32)CC1 ZINC000057153912 330371976 /nfs/dbraw/zinc/37/19/76/330371976.db2.gz DQHBATVRVSJHIU-UHFFFAOYSA-N 0 3 293.370 2.519 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1CCCCCC1 ZINC000424583319 330388284 /nfs/dbraw/zinc/38/82/84/330388284.db2.gz MHIAVGCTGFOOPW-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1CCCCCC1 ZINC000429836208 330390151 /nfs/dbraw/zinc/39/01/51/330390151.db2.gz GXBSVHPLIKPHFJ-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN CC(=O)N1CCC(N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000090665559 330394683 /nfs/dbraw/zinc/39/46/83/330394683.db2.gz BQGUHZFGXVQGAV-KRWDZBQOSA-N 0 3 285.391 2.632 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000537101875 330399463 /nfs/dbraw/zinc/39/94/63/330399463.db2.gz FDFYDFMBVPETFU-JJRVBVJISA-N 0 3 287.407 2.780 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1 ZINC000516070544 330486509 /nfs/dbraw/zinc/48/65/09/330486509.db2.gz IQRIZXSFSSZKKA-RRFJBIMHSA-N 0 3 272.392 2.555 20 30 CFEDHN CC(C)NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433023526 330612806 /nfs/dbraw/zinc/61/28/06/330612806.db2.gz QTMHVIPLIQRVHI-OAHLLOKOSA-N 0 3 273.380 2.536 20 30 CFEDHN N#CCCC[C@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000433026492 330612889 /nfs/dbraw/zinc/61/28/89/330612889.db2.gz FQAGXMWDUSBHKE-INIZCTEOSA-N 0 3 285.391 2.634 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCC[C@@H](C)C(C)=O)CC1 ZINC000441389901 330767479 /nfs/dbraw/zinc/76/74/79/330767479.db2.gz XSRLHMZISFNEJO-CQSZACIVSA-N 0 3 294.439 2.539 20 30 CFEDHN C=C(C)CNCc1ccc(I)cc1 ZINC000160358210 330863293 /nfs/dbraw/zinc/86/32/93/330863293.db2.gz PTMPTMBMOSLHAW-UHFFFAOYSA-N 0 3 287.144 2.957 20 30 CFEDHN C=CC[C@H](CO)NCc1cc2ccccc2cc1OC ZINC000449239367 330908821 /nfs/dbraw/zinc/90/88/21/330908821.db2.gz VMNCJYDLCUCUFS-MRXNPFEDSA-N 0 3 271.360 2.875 20 30 CFEDHN C=C(CC)CNCc1ccc(OCCOC)c(OC)c1 ZINC000449734112 330946711 /nfs/dbraw/zinc/94/67/11/330946711.db2.gz QZVYHKGHEOVYKY-UHFFFAOYSA-N 0 3 279.380 2.776 20 30 CFEDHN C=CCOCCN1CCC(F)(c2ccccn2)CC1 ZINC000450927125 331007570 /nfs/dbraw/zinc/00/75/70/331007570.db2.gz ATGQGYTWVKVICS-UHFFFAOYSA-N 0 3 264.344 2.545 20 30 CFEDHN C=CCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451255448 331021992 /nfs/dbraw/zinc/02/19/92/331021992.db2.gz DCNKZAIOAHCHSM-CVEARBPZSA-N 0 3 263.356 2.753 20 30 CFEDHN C=C(C)CCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451278469 331022890 /nfs/dbraw/zinc/02/28/90/331022890.db2.gz CPDCRJTUOHQZGX-JKSUJKDBSA-N 0 3 263.356 2.753 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CCC1 ZINC000451355975 331025488 /nfs/dbraw/zinc/02/54/88/331025488.db2.gz WJVBSEWBNICHFK-RRFJBIMHSA-N 0 3 262.397 2.696 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451365677 331025886 /nfs/dbraw/zinc/02/58/86/331025886.db2.gz XAOXDMRJLGIFFG-CVYDXHPNSA-N 0 3 288.435 2.555 20 30 CFEDHN CO[C@]1(C)C[C@H](NCC#Cc2ccccc2)C1(C)C ZINC000451490992 331031446 /nfs/dbraw/zinc/03/14/46/331031446.db2.gz PHARXYZDDGSWJI-DOTOQJQBSA-N 0 3 257.377 2.831 20 30 CFEDHN C=CCOCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546014 331033476 /nfs/dbraw/zinc/03/34/76/331033476.db2.gz IPEMUFUXTKGDPI-HNNXBMFYSA-N 0 3 290.363 2.977 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000451607262 331036495 /nfs/dbraw/zinc/03/64/95/331036495.db2.gz PAGOZHWXHASAFB-ZNMIVQPWSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000451615277 331037092 /nfs/dbraw/zinc/03/70/92/331037092.db2.gz VHGVROZEPCJQPU-KGLIPLIRSA-N 0 3 295.766 2.560 20 30 CFEDHN CO[C@@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000451622533 331037326 /nfs/dbraw/zinc/03/73/26/331037326.db2.gz FPYUNIGAEIALTQ-HUUCEWRRSA-N 0 3 263.768 2.849 20 30 CFEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccccc3)CC[C@@H]2C1 ZINC000451700571 331039480 /nfs/dbraw/zinc/03/94/80/331039480.db2.gz OANVWWQUXQUBCB-KZNAEPCWSA-N 0 3 269.388 2.521 20 30 CFEDHN CN(CC#Cc1ccccc1)[C@H](CO)CC(C)(C)C ZINC000451777475 331041707 /nfs/dbraw/zinc/04/17/07/331041707.db2.gz BOLWUUQBXQICNB-INIZCTEOSA-N 0 3 259.393 2.767 20 30 CFEDHN CO[C@@H]1C[C@H](N(C)CC#Cc2ccccc2)C12CCC2 ZINC000451864664 331045332 /nfs/dbraw/zinc/04/53/32/331045332.db2.gz JNBXBTSGEACJPU-DLBZAZTESA-N 0 3 269.388 2.928 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451894920 331046620 /nfs/dbraw/zinc/04/66/20/331046620.db2.gz SKLMHJHWKJFNQR-NWDGAFQWSA-N 0 3 292.345 2.952 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452067913 331052792 /nfs/dbraw/zinc/05/27/92/331052792.db2.gz AYGPYCFSIULSBM-KGLIPLIRSA-N 0 3 279.428 2.505 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](CC(C)(C)C)C1 ZINC000452085466 331053443 /nfs/dbraw/zinc/05/34/43/331053443.db2.gz WEKHYTTXBVHVCK-CABCVRRESA-N 0 3 293.455 2.753 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000452256952 331060151 /nfs/dbraw/zinc/06/01/51/331060151.db2.gz HPHKJKZMNJFSJM-SECBINFHSA-N 0 3 298.264 2.850 20 30 CFEDHN CC(F)(F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452592926 331069818 /nfs/dbraw/zinc/06/98/18/331069818.db2.gz LXJSGGPHOAGTBR-CYBMUJFWSA-N 0 3 280.318 2.920 20 30 CFEDHN CN(Cc1ccccc1)C1(CNC(=O)CCCC#N)CCC1 ZINC000452729770 331074632 /nfs/dbraw/zinc/07/46/32/331074632.db2.gz LAVYXUCONXENHE-UHFFFAOYSA-N 0 3 299.418 2.851 20 30 CFEDHN C=CC(C)(C)CNC(=O)c1cccc(CN(C)C)c1 ZINC000452776817 331076749 /nfs/dbraw/zinc/07/67/49/331076749.db2.gz LWBKMBMSJNHQHR-UHFFFAOYSA-N 0 3 260.381 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332300475 /nfs/dbraw/zinc/30/04/75/332300475.db2.gz ZQLKCVPTQJBWCQ-DZGCQCFKSA-N 0 3 272.392 2.968 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(OCC(F)F)cc1 ZINC000491715066 332305438 /nfs/dbraw/zinc/30/54/38/332305438.db2.gz ITVYLGRMSHECRS-LLVKDONJSA-N 0 3 253.292 2.784 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000491731018 332312688 /nfs/dbraw/zinc/31/26/88/332312688.db2.gz FTMPYMMCYDTZEY-LLVKDONJSA-N 0 3 271.316 2.673 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC(F)F)c(OC)c1 ZINC000491744051 332322134 /nfs/dbraw/zinc/32/21/34/332322134.db2.gz RZJXWIYCLSHMMD-LLVKDONJSA-N 0 3 269.291 2.798 20 30 CFEDHN C#C[C@@H](N[C@H](C)Cn1cc(Br)cn1)C(C)(C)C ZINC000491767692 332335516 /nfs/dbraw/zinc/33/55/16/332335516.db2.gz GTFXHDVMBHLBQA-ZYHUDNBSSA-N 0 3 298.228 2.672 20 30 CFEDHN C#C[C@@H](C)N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000491814624 332366178 /nfs/dbraw/zinc/36/61/78/332366178.db2.gz SJYFHJWMEWYJFI-CXAGYDPISA-N 0 3 295.386 2.503 20 30 CFEDHN C#C[C@H](NCc1cnc(-c2ccccn2)s1)C(C)C ZINC000491819007 332369050 /nfs/dbraw/zinc/36/90/50/332369050.db2.gz RTBMIYJQAIFJBB-ZDUSSCGKSA-N 0 3 271.389 2.953 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccnc(C)c2Cl)CC1 ZINC000494036446 332461604 /nfs/dbraw/zinc/46/16/04/332461604.db2.gz CNOWZSOWRQLNCI-UHFFFAOYSA-N 0 3 279.815 2.918 20 30 CFEDHN C=CCCN1CCN(c2ccc(Br)cn2)CC1 ZINC000172621306 335112023 /nfs/dbraw/zinc/11/20/23/335112023.db2.gz NTOYSVHTMSKKPA-UHFFFAOYSA-N 0 3 296.212 2.542 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CNCCC#N)C1 ZINC000496337580 332546677 /nfs/dbraw/zinc/54/66/77/332546677.db2.gz DBIDTXYRIHHVCY-CHWSQXEVSA-N 0 3 281.400 2.573 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000178453677 333073055 /nfs/dbraw/zinc/07/30/55/333073055.db2.gz FLMNCMPXFDUIFD-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCCCN1CCO[C@]2(CCSC2)C1 ZINC000516765635 333082204 /nfs/dbraw/zinc/08/22/04/333082204.db2.gz DEFVZNHQYLTEFW-CQSZACIVSA-N 0 3 255.427 2.941 20 30 CFEDHN C[C@@H](CCC#N)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978765 333088801 /nfs/dbraw/zinc/08/88/01/333088801.db2.gz IRDBNJUTWUVVBU-GXTWGEPZSA-N 0 3 260.385 2.538 20 30 CFEDHN Cc1n[nH]cc1C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000517095447 333092548 /nfs/dbraw/zinc/09/25/48/333092548.db2.gz MRTABPJEOTZVRR-GXTWGEPZSA-N 0 3 258.369 2.590 20 30 CFEDHN C=CCNC(=O)CN(CC)C[C@@H](CC)c1ccccc1 ZINC000186623169 333163845 /nfs/dbraw/zinc/16/38/45/333163845.db2.gz VABJTDGUKCYPFC-OAHLLOKOSA-N 0 3 274.408 2.804 20 30 CFEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192154464 333231177 /nfs/dbraw/zinc/23/11/77/333231177.db2.gz ZRTITPJTCRLTIX-DZGCQCFKSA-N 0 3 278.783 2.778 20 30 CFEDHN C=CC1CCN(CCOc2cccc(C(=O)OC)c2)CC1 ZINC000522082306 333239331 /nfs/dbraw/zinc/23/93/31/333239331.db2.gz OWOVTXOFJBOMRO-UHFFFAOYSA-N 0 3 289.375 2.750 20 30 CFEDHN C=CCCCCCN1CCN(CCOC(C)C)CC1 ZINC000193367075 333248913 /nfs/dbraw/zinc/24/89/13/333248913.db2.gz LLBBOUWFUIDOAM-UHFFFAOYSA-N 0 3 268.445 2.775 20 30 CFEDHN C=CCCCCCN1CCSC[C@H]1CC(=O)OC ZINC000193397810 333249329 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/nfs/dbraw/zinc/17/50/26/335175026.db2.gz ZEKWYLDTFHZTDC-UHFFFAOYSA-N 0 3 260.381 2.721 20 30 CFEDHN CN(C[C@@H]1CCCN1CCCC#N)C(=O)OC(C)(C)C ZINC000076016752 334066361 /nfs/dbraw/zinc/06/63/61/334066361.db2.gz RBFMTUPUAJHLMM-ZDUSSCGKSA-N 0 3 281.400 2.621 20 30 CFEDHN CC(C)(C)CN1CCC[C@H](N2CCC(CC#N)CC2)C1=O ZINC000547307656 334077553 /nfs/dbraw/zinc/07/75/53/334077553.db2.gz DXCUBZWQJXBEQT-HNNXBMFYSA-N 0 3 291.439 2.649 20 30 CFEDHN C=C(C)COCCNCC1=Cc2ccccc2OC1 ZINC000134502865 334092372 /nfs/dbraw/zinc/09/23/72/334092372.db2.gz QOVQRFVQUHBVGK-UHFFFAOYSA-N 0 3 259.349 2.645 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC[C@H](SC)C1 ZINC000134592775 334096573 /nfs/dbraw/zinc/09/65/73/334096573.db2.gz SXQMXFCFNGQKSC-GJZGRUSLSA-N 0 3 296.480 2.793 20 30 CFEDHN CC1(C)c2ccccc2CCN1CCOCCC#N ZINC000549536821 334196681 /nfs/dbraw/zinc/19/66/81/334196681.db2.gz ZABSYRUXMIIMMM-UHFFFAOYSA-N 0 3 258.365 2.710 20 30 CFEDHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NC[C@H](C)C#N ZINC000246212846 334241195 /nfs/dbraw/zinc/24/11/95/334241195.db2.gz NXUYMHBGWHHHTR-MGPQQGTHSA-N 0 3 295.427 2.914 20 30 CFEDHN C=CCSCCN[C@H](C)c1cn2ccccc2n1 ZINC000551296234 334245478 /nfs/dbraw/zinc/24/54/78/334245478.db2.gz FHOQLFCBNVEOLP-GFCCVEGCSA-N 0 3 261.394 2.904 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000552072205 334285840 /nfs/dbraw/zinc/28/58/40/334285840.db2.gz KKQXRZGDTCMKAF-LLVKDONJSA-N 0 3 251.292 2.996 20 30 CFEDHN C=CCC[C@@H](NCCn1cnnc1CC)c1ccco1 ZINC000552272655 334310949 /nfs/dbraw/zinc/31/09/49/334310949.db2.gz WIJRGKDWFDKKFW-CYBMUJFWSA-N 0 3 274.368 2.731 20 30 CFEDHN C=CCC[C@@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000249550148 334336388 /nfs/dbraw/zinc/33/63/88/334336388.db2.gz HRJZLMRWWYAQEI-DLBZAZTESA-N 0 3 286.419 2.947 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2cncc(C)c2)CC1 ZINC000254984835 334498062 /nfs/dbraw/zinc/49/80/62/334498062.db2.gz JLEMUBKTLMFLLU-PLNGDYQASA-N 0 3 299.418 2.560 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000567355765 334707944 /nfs/dbraw/zinc/70/79/44/334707944.db2.gz NPRUGMNLMGOUHI-ZDUSSCGKSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCn1cc(CNC[C@H]2CCCC(C)(C)C2)nn1 ZINC000567462876 334722304 /nfs/dbraw/zinc/72/23/04/334722304.db2.gz BSPBOZMRONEITR-ZDUSSCGKSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(C)cc1Cl ZINC000568030208 334785943 /nfs/dbraw/zinc/78/59/43/334785943.db2.gz NEXSGFIVUHATGN-GFCCVEGCSA-N 0 3 253.773 2.923 20 30 CFEDHN C=CCOCCN1CCC(Nc2ccc(F)cc2)CC1 ZINC000568972769 334848757 /nfs/dbraw/zinc/84/87/57/334848757.db2.gz VFABEFJUDJAJCU-UHFFFAOYSA-N 0 3 278.371 2.905 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[C@@H]1C ZINC000342728370 335186323 /nfs/dbraw/zinc/18/63/23/335186323.db2.gz HJXDVIHTSSZBQE-XJKSGUPXSA-N 0 3 258.365 2.609 20 30 CFEDHN C[C@H](C(=O)N1CCC(C)CC1)N1CCC(CCC#N)CC1 ZINC000576819974 335251386 /nfs/dbraw/zinc/25/13/86/335251386.db2.gz MPOUWHBCJAGPNT-OAHLLOKOSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1cc2c(s1)CCCC2 ZINC000347350800 335376220 /nfs/dbraw/zinc/37/62/20/335376220.db2.gz XGBPKRRZEFAMPK-NSHDSACASA-N 0 3 278.421 2.580 20 30 CFEDHN C=CC[C@H]1N(C(=O)CN2CC[C@H](C)C2)CCCC1(C)C ZINC000577744789 335396021 /nfs/dbraw/zinc/39/60/21/335396021.db2.gz WQARMUCLEBGDHV-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179768187 335516193 /nfs/dbraw/zinc/51/61/93/335516193.db2.gz LELGNOXFGRNBHL-GFCCVEGCSA-N 0 3 256.349 2.709 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000185292856 335950357 /nfs/dbraw/zinc/95/03/57/335950357.db2.gz KDOTUGMGFQCYST-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCC#Cc1ccccc1 ZINC000581364672 336061617 /nfs/dbraw/zinc/06/16/17/336061617.db2.gz CBHXEAGAIDFPLE-APWZRJJASA-N 0 3 279.383 2.792 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085610579 782114459 /nfs/dbraw/zinc/11/44/59/782114459.db2.gz XCQACIONHCQBQN-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001085664392 782126881 /nfs/dbraw/zinc/12/68/81/782126881.db2.gz KMYMDMVXOAYGGB-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305841293 521877973 /nfs/dbraw/zinc/87/79/73/521877973.db2.gz ZJVDYIFIAAKVNL-PGUXBMHVSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1C#N ZINC000330219282 534009033 /nfs/dbraw/zinc/00/90/33/534009033.db2.gz KAKVEGUNFHGKQN-UVBJJODRSA-N 0 3 299.374 2.692 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](n2ccnn2)C1 ZINC000425502871 534047221 /nfs/dbraw/zinc/04/72/21/534047221.db2.gz RAMFJUJBFYVOPH-BBRMVZONSA-N 0 3 281.363 2.548 20 30 CFEDHN C[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)C1=CCN(C)CC1 ZINC000330029445 534277897 /nfs/dbraw/zinc/27/78/97/534277897.db2.gz QAGYMBQNUZLULC-LBPRGKRZSA-N 0 3 298.390 2.712 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000347063801 534282180 /nfs/dbraw/zinc/28/21/80/534282180.db2.gz HPEMAPUCMKDSMA-CYBMUJFWSA-N 0 3 296.374 2.627 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000352707293 534283700 /nfs/dbraw/zinc/28/37/00/534283700.db2.gz QXJHFODKZYSKHK-MNOVXSKESA-N 0 3 269.304 2.678 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000347125562 534284233 /nfs/dbraw/zinc/28/42/33/534284233.db2.gz PNFPIJAEPKQRHN-YGRLFVJLSA-N 0 3 260.312 2.943 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085776967 782162124 /nfs/dbraw/zinc/16/21/24/782162124.db2.gz GFVWSQWVQOXOBA-JJXSEGSLSA-N 0 3 276.424 2.531 20 30 CFEDHN CCCNC(=O)C1(NCc2cccc(C#N)c2)CCCCC1 ZINC000078656084 519866568 /nfs/dbraw/zinc/86/65/68/519866568.db2.gz RGIWOTQQQDGFGZ-UHFFFAOYSA-N 0 3 299.418 2.877 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)Cc1ccc(C#N)c(F)c1 ZINC000361861248 520607681 /nfs/dbraw/zinc/60/76/81/520607681.db2.gz XVTDCQDZDMAIIC-UHFFFAOYSA-N 0 3 292.354 2.861 20 30 CFEDHN CCN(CC1CCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000361481491 520976635 /nfs/dbraw/zinc/97/66/35/520976635.db2.gz NNEVELJWJOYVHC-KRWDZBQOSA-N 0 3 297.402 2.786 20 30 CFEDHN CC1CCN(CCNc2cccc(F)c2C#N)CC1 ZINC000079905909 521016450 /nfs/dbraw/zinc/01/64/50/521016450.db2.gz AJOMZUOIHIISMG-UHFFFAOYSA-N 0 3 261.344 2.841 20 30 CFEDHN CCN(CCOCCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000079400211 521147015 /nfs/dbraw/zinc/14/70/15/521147015.db2.gz QWADZOKTEUIMME-AWEZNQCLSA-N 0 3 276.380 2.604 20 30 CFEDHN CCC(CC)(CO)CNCc1cc(C#N)cs1 ZINC000229209738 521452971 /nfs/dbraw/zinc/45/29/71/521452971.db2.gz LJROWQZEGNDXMW-UHFFFAOYSA-N 0 3 252.383 2.508 20 30 CFEDHN CN(C)Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000067980891 521903989 /nfs/dbraw/zinc/90/39/89/521903989.db2.gz HVSPVQBQSKHINT-UHFFFAOYSA-N 0 3 279.343 2.872 20 30 CFEDHN COc1cc(C#N)ccc1CN(CC1CCC1)[C@@H](C)CO ZINC000361501609 522031752 /nfs/dbraw/zinc/03/17/52/522031752.db2.gz RUUOBNXWJGLQAN-ZDUSSCGKSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC(C)=C(C)C1 ZINC000361620634 522040687 /nfs/dbraw/zinc/04/06/87/522040687.db2.gz RKOMZNQHUHFOJT-UHFFFAOYSA-N 0 3 286.375 2.988 20 30 CFEDHN N#CCCCNCc1cccc(OCCCC#N)c1 ZINC000344324676 534612352 /nfs/dbraw/zinc/61/23/52/534612352.db2.gz GXYWHEOYENILNO-UHFFFAOYSA-N 0 3 257.337 2.763 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000221982602 522126827 /nfs/dbraw/zinc/12/68/27/522126827.db2.gz LVASSVSFVXLFPV-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248720365 534623704 /nfs/dbraw/zinc/62/37/04/534623704.db2.gz CGQILVVWROBBNL-GDBMZVCRSA-N 0 3 272.392 2.589 20 30 CFEDHN COC[C@H](Cc1ccccc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191545254 522689763 /nfs/dbraw/zinc/68/97/63/522689763.db2.gz NDSZDCRHYCZMAO-SFHVURJKSA-N 0 3 297.402 2.586 20 30 CFEDHN CN(CCNc1ccc(C#N)cc1Br)C1CC1 ZINC000213241978 522871794 /nfs/dbraw/zinc/87/17/94/522871794.db2.gz HOISUURYKBVZAL-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000157284250 523528406 /nfs/dbraw/zinc/52/84/06/523528406.db2.gz YNDZHASXJVLRJQ-RHSMWYFYSA-N 0 3 286.375 2.568 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000361746751 523584638 /nfs/dbraw/zinc/58/46/38/523584638.db2.gz AOGNHXFUFGGWSU-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[C@@H]1C ZINC000221123266 523738776 /nfs/dbraw/zinc/73/87/76/523738776.db2.gz FFDCPBCIOATPIH-WMLDXEAASA-N 0 3 288.391 2.684 20 30 CFEDHN N#CC(C(=O)c1cccc2ncccc21)c1ccncn1 ZINC000354466870 534740474 /nfs/dbraw/zinc/74/04/74/534740474.db2.gz KIVXGCVUXAPDTA-ZDUSSCGKSA-N 0 3 274.283 2.515 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000329989222 534754878 /nfs/dbraw/zinc/75/48/78/534754878.db2.gz VACRJMAPLVXEAN-GXTWGEPZSA-N 0 3 272.348 2.630 20 30 CFEDHN C[C@H]1CN(Cc2cccc(C#N)c2F)CCN(C2CC2)C1 ZINC000336255217 524625280 /nfs/dbraw/zinc/62/52/80/524625280.db2.gz CEMYROFMLAHAJL-ZDUSSCGKSA-N 0 3 287.382 2.613 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(C#N)cn2C)c1 ZINC000340333769 524657334 /nfs/dbraw/zinc/65/73/34/524657334.db2.gz IMOHPEZVBQCZNM-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN Cc1cccc(O[C@H](C)CNCc2cc(C#N)n(C)c2)c1 ZINC000191213407 524784204 /nfs/dbraw/zinc/78/42/04/524784204.db2.gz KVXIXVQKZHPZIB-CQSZACIVSA-N 0 3 283.375 2.762 20 30 CFEDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1Cl ZINC000235607587 525041757 /nfs/dbraw/zinc/04/17/57/525041757.db2.gz OVCWROMOZRHEQL-QMTHXVAHSA-N 0 3 264.756 2.869 20 30 CFEDHN Cc1ccccc1OCCCNCc1cc(C#N)n(C)c1 ZINC000190968133 525291333 /nfs/dbraw/zinc/29/13/33/525291333.db2.gz SNGUUURYBKSIHB-UHFFFAOYSA-N 0 3 283.375 2.764 20 30 CFEDHN C[C@H](NCc1cccc(CO)c1)c1cccc(C#N)c1 ZINC000224628889 525455305 /nfs/dbraw/zinc/45/53/05/525455305.db2.gz BLOGSOOPFXXFAY-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN C[C@H](N[C@@H]1CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305818136 525553100 /nfs/dbraw/zinc/55/31/00/525553100.db2.gz NISJCVKGUPYBHV-COLVAYQJSA-N 0 3 262.328 2.651 20 30 CFEDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1Cl ZINC000235447896 525582871 /nfs/dbraw/zinc/58/28/71/525582871.db2.gz OVCWROMOZRHEQL-IINYFYTJSA-N 0 3 264.756 2.869 20 30 CFEDHN C[C@H](O)C[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000305005175 525817813 /nfs/dbraw/zinc/81/78/13/525817813.db2.gz BXBUGFJHRQMUNI-DZGCQCFKSA-N 0 3 284.359 2.796 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000163874992 525840977 /nfs/dbraw/zinc/84/09/77/525840977.db2.gz LHZYWEHUIBSZCZ-BXUZGUMPSA-N 0 3 278.783 2.947 20 30 CFEDHN C=CCN1CCC(N[C@@H](CC)c2ccc(F)cn2)CC1 ZINC000352685002 526452885 /nfs/dbraw/zinc/45/28/85/526452885.db2.gz QSWZAROOFZBVER-HNNXBMFYSA-N 0 3 277.387 2.912 20 30 CFEDHN N#Cc1cc(CN2CCCC[C@H]2C2(O)CC2)ccc1F ZINC000335155242 526547655 /nfs/dbraw/zinc/54/76/55/526547655.db2.gz QKQBELQTLYMXTJ-HNNXBMFYSA-N 0 3 274.339 2.577 20 30 CFEDHN C=C(C)CN(CCCOCC)Cc1ccc(CO)o1 ZINC000352793668 526551345 /nfs/dbraw/zinc/55/13/45/526551345.db2.gz PTCQQKBGCVKJJT-UHFFFAOYSA-N 0 3 267.369 2.577 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC[C@@H](C)CC)CC1 ZINC000352273807 526581426 /nfs/dbraw/zinc/58/14/26/526581426.db2.gz QVASXWTZGFWFOI-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2occ3c2CCC3)CC1 ZINC000352268884 526601883 /nfs/dbraw/zinc/60/18/83/526601883.db2.gz DEZDLZHPQUIDRX-UHFFFAOYSA-N 0 3 288.391 2.539 20 30 CFEDHN N#Cc1ccc(CNCCC[C@@H]2CCCC[C@H]2O)o1 ZINC000305148536 526623622 /nfs/dbraw/zinc/62/36/22/526623622.db2.gz ZGBQEAGQFOIBOL-SWLSCSKDSA-N 0 3 262.353 2.572 20 30 CFEDHN N#Cc1ccc(CNCCC[C@H]2CCCC[C@@H]2O)o1 ZINC000305148532 526623733 /nfs/dbraw/zinc/62/37/33/526623733.db2.gz ZGBQEAGQFOIBOL-DOMZBBRYSA-N 0 3 262.353 2.572 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2n2cccn2)o1 ZINC000173573154 526625797 /nfs/dbraw/zinc/62/57/97/526625797.db2.gz MWDOQGGZYAFGQA-HUUCEWRRSA-N 0 3 270.336 2.621 20 30 CFEDHN C=C(C)COCCNCc1cnc2ccc(Cl)cn12 ZINC000344947673 526653970 /nfs/dbraw/zinc/65/39/70/526653970.db2.gz GCQVGNAICJUNNM-UHFFFAOYSA-N 0 3 279.771 2.670 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1F ZINC000222572277 526703253 /nfs/dbraw/zinc/70/32/53/526703253.db2.gz HYJZQSRVVRZDPZ-XHSDSOJGSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1cccc(CN2CCc3ccccc3[C@H]2CN)c1 ZINC000227722935 526705700 /nfs/dbraw/zinc/70/57/00/526705700.db2.gz ZXLNQTUCIKZAIG-GOSISDBHSA-N 0 3 277.371 2.616 20 30 CFEDHN N#Cc1ccccc1OCCN1CCCO[C@H]2CCC[C@@H]21 ZINC000363697397 526747386 /nfs/dbraw/zinc/74/73/86/526747386.db2.gz YKDFIMCWGHUWHV-RDJZCZTQSA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCc3ccccc3C2)n1 ZINC000335179932 526783089 /nfs/dbraw/zinc/78/30/89/526783089.db2.gz BXIVNEFCVSVVSP-ZDUSSCGKSA-N 0 3 269.373 2.662 20 30 CFEDHN C=C(CC)CN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000347640662 526859644 /nfs/dbraw/zinc/85/96/44/526859644.db2.gz QCFGKIIOWDWZCC-WMLDXEAASA-N 0 3 251.395 2.662 20 30 CFEDHN C=C(CNCc1cnccc1N(C)C)c1ccccc1 ZINC000353089022 526881275 /nfs/dbraw/zinc/88/12/75/526881275.db2.gz DGNGJIUBHZIKAS-UHFFFAOYSA-N 0 3 267.376 2.951 20 30 CFEDHN C=CCOc1ccc(CNC2(CC(=O)OC)CCC2)cc1 ZINC000347650061 526883961 /nfs/dbraw/zinc/88/39/61/526883961.db2.gz KFFVGZPSYDLYIU-UHFFFAOYSA-N 0 3 289.375 2.827 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](C(=O)OC)[C@@H]2C)c1 ZINC000347271989 526900367 /nfs/dbraw/zinc/90/03/67/526900367.db2.gz CLJUIUJIDPSIKL-XJKSGUPXSA-N 0 3 289.375 2.635 20 30 CFEDHN C=CCOc1cccc(CNC[C@@H](O)Cc2ccccc2)c1 ZINC000105493545 526903926 /nfs/dbraw/zinc/90/39/26/526903926.db2.gz FXOPOPOCEWEAOU-SFHVURJKSA-N 0 3 297.398 2.945 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN1CCC ZINC000352508595 527012611 /nfs/dbraw/zinc/01/26/11/527012611.db2.gz HXHNXXNVYQKNHM-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C#CCOc1ccccc1CNCCc1c(C)noc1C ZINC000107321143 527127742 /nfs/dbraw/zinc/12/77/42/527127742.db2.gz YBFYCFRLRWFHPF-UHFFFAOYSA-N 0 3 284.359 2.636 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000347627809 527154038 /nfs/dbraw/zinc/15/40/38/527154038.db2.gz VFTWMFRSLACFFQ-KKUMJFAQSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000347748873 527155908 /nfs/dbraw/zinc/15/59/08/527155908.db2.gz HSZHHXXXJBNPKM-KKUMJFAQSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(F)cccc1CC ZINC000354580964 527186063 /nfs/dbraw/zinc/18/60/63/527186063.db2.gz DRZLTYYTQVKQPA-LBPRGKRZSA-N 0 3 251.345 2.662 20 30 CFEDHN Cn1cc(CN2CCSC[C@H]2C2CCC2)cc1C#N ZINC000334952622 527206400 /nfs/dbraw/zinc/20/64/00/527206400.db2.gz SFQYIBPAHCMKFD-HNNXBMFYSA-N 0 3 275.421 2.614 20 30 CFEDHN C=CCCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000344498586 527225487 /nfs/dbraw/zinc/22/54/87/527225487.db2.gz OBTCTYRYICNBJC-AWEZNQCLSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353264248 527369961 /nfs/dbraw/zinc/36/99/61/527369961.db2.gz KRRQEIFOLFKNLT-INIZCTEOSA-N 0 3 256.349 2.728 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000334940120 527450124 /nfs/dbraw/zinc/45/01/24/527450124.db2.gz HTTZXQXOEKBMGD-MRXNPFEDSA-N 0 3 285.391 2.540 20 30 CFEDHN C=CCC[C@H](NCCc1cnccn1)c1ccco1 ZINC000353589786 527484406 /nfs/dbraw/zinc/48/44/06/527484406.db2.gz HOXDSYBTDSBDPA-AWEZNQCLSA-N 0 3 257.337 2.909 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348382563 527494795 /nfs/dbraw/zinc/49/47/95/527494795.db2.gz KYDCERXKAAZARA-QAPCUYQASA-N 0 3 299.418 2.909 20 30 CFEDHN Cn1nccc1[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000336360294 527625503 /nfs/dbraw/zinc/62/55/03/527625503.db2.gz AMITUVMHDUXUJL-GFCCVEGCSA-N 0 3 286.404 2.733 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1c[nH]cc1C)C(C)C ZINC000353827902 527646812 /nfs/dbraw/zinc/64/68/12/527646812.db2.gz PCZPFVPUTALECH-INIZCTEOSA-N 0 3 289.423 2.752 20 30 CFEDHN CC(C)(C)C[C@@H](O)CNCc1cc(C#N)cs1 ZINC000177703167 527697374 /nfs/dbraw/zinc/69/73/74/527697374.db2.gz HTZSAZLAYDGWSG-LLVKDONJSA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C)OC(=O)C[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000347162688 527806587 /nfs/dbraw/zinc/80/65/87/527806587.db2.gz IIFHOYMIDLDAJO-CQSZACIVSA-N 0 3 280.412 2.980 20 30 CFEDHN CC(C)COC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425535882 528111396 /nfs/dbraw/zinc/11/13/96/528111396.db2.gz HWZBQOJGQLQHAM-RHSMWYFYSA-N 0 3 290.407 2.585 20 30 CFEDHN CC(C)Oc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000347068947 528203711 /nfs/dbraw/zinc/20/37/11/528203711.db2.gz MNMMBUUFWCNXTG-VXGBXAGGSA-N 0 3 260.337 2.811 20 30 CFEDHN CCN(CC1(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355019711 528319410 /nfs/dbraw/zinc/31/94/10/528319410.db2.gz VUPGWOVRWUSCSC-KRWDZBQOSA-N 0 3 283.419 2.887 20 30 CFEDHN CC(C)N(CCCCC#N)CC(=O)N1CCCCCC1 ZINC000353199492 528880626 /nfs/dbraw/zinc/88/06/26/528880626.db2.gz GDLMIYUZGNRCEB-UHFFFAOYSA-N 0 3 279.428 2.793 20 30 CFEDHN CC[C@H](C)[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347030325 529254173 /nfs/dbraw/zinc/25/41/73/529254173.db2.gz BZDFEIBXMVYABJ-MJVIPROJSA-N 0 3 284.363 2.926 20 30 CFEDHN CC[C@H](C)[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347030329 529254588 /nfs/dbraw/zinc/25/45/88/529254588.db2.gz BZDFEIBXMVYABJ-WDMOLILDSA-N 0 3 284.363 2.926 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C)c1cncnc1 ZINC000330344942 529272093 /nfs/dbraw/zinc/27/20/93/529272093.db2.gz DNYKZUZVAHTGNI-DZGCQCFKSA-N 0 3 290.411 2.801 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000351963792 529353392 /nfs/dbraw/zinc/35/33/92/529353392.db2.gz HLLHXLNCXHHWQH-MRXNPFEDSA-N 0 3 289.379 2.505 20 30 CFEDHN CCCNC(=O)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000447532753 535050220 /nfs/dbraw/zinc/05/02/20/535050220.db2.gz VMAQZGDRBOGXGB-OAHLLOKOSA-N 0 3 273.380 2.515 20 30 CFEDHN CC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)N(CC)CC ZINC000456975798 535427667 /nfs/dbraw/zinc/42/76/67/535427667.db2.gz ZZHHXTKGYSAQQU-HNNXBMFYSA-N 0 3 273.380 2.926 20 30 CFEDHN CCN1CCC(N(C)C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000491449957 535453123 /nfs/dbraw/zinc/45/31/23/535453123.db2.gz SJXTVTUCURVHBE-CMDGGOBGSA-N 0 3 297.402 2.514 20 30 CFEDHN CCN1CCC(N(C)C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000491531697 535454533 /nfs/dbraw/zinc/45/45/33/535454533.db2.gz ICYVAHTWXLGHNC-BQYQJAHWSA-N 0 3 297.402 2.514 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000452008691 535753693 /nfs/dbraw/zinc/75/36/93/535753693.db2.gz BJQFBRZRPBMPEN-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000447588661 535803430 /nfs/dbraw/zinc/80/34/30/535803430.db2.gz VSBAZILIQBSIPI-OAHLLOKOSA-N 0 3 287.407 2.904 20 30 CFEDHN CN(c1ccc(C(F)(F)F)c(C#N)n1)[C@@H]1CCCN(C)C1 ZINC000443496377 536488209 /nfs/dbraw/zinc/48/82/09/536488209.db2.gz BFMUBKDUELHBIQ-SNVBAGLBSA-N 0 3 298.312 2.502 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835709 782177725 /nfs/dbraw/zinc/17/77/25/782177725.db2.gz QNTBKXLSCODDOM-MRXNPFEDSA-N 0 3 290.382 2.857 20 30 CFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744031146 574049964 /nfs/dbraw/zinc/04/99/64/574049964.db2.gz RONAWINWSUTPRV-LXKVQUBZSA-N 0 3 298.342 2.699 20 30 CFEDHN COCC#CCN1CCC[C@H](c2ccccc2)CC1 ZINC000753862547 574052271 /nfs/dbraw/zinc/05/22/71/574052271.db2.gz LYAZQLBCFNGOSY-KRWDZBQOSA-N 0 3 257.377 2.906 20 30 CFEDHN CC(C)CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccn1 ZINC000753934828 574055903 /nfs/dbraw/zinc/05/59/03/574055903.db2.gz KHURXANRGLJDHU-HUUCEWRRSA-N 0 3 299.422 2.692 20 30 CFEDHN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccs1 ZINC000753935308 574055956 /nfs/dbraw/zinc/05/59/56/574055956.db2.gz NLXLOMBTZVUFRK-TXEJJXNPSA-N 0 3 276.409 2.722 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C)s1 ZINC000753937148 574056594 /nfs/dbraw/zinc/05/65/94/574056594.db2.gz CKVQGHKCQQILLR-VXGBXAGGSA-N 0 3 276.409 2.641 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(Cl)nc2)CN1C1CC1 ZINC000753960240 574059319 /nfs/dbraw/zinc/05/93/19/574059319.db2.gz PHVQSERDADRRBW-VIFPVBQESA-N 0 3 264.760 2.760 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000753967678 574060256 /nfs/dbraw/zinc/06/02/56/574060256.db2.gz OCXRKPZRVBDCLE-SNVBAGLBSA-N 0 3 274.324 2.619 20 30 CFEDHN CC(C)(C)SCCNCc1cnc2ccc(C#N)cn12 ZINC000736639246 574063985 /nfs/dbraw/zinc/06/39/85/574063985.db2.gz NOLGYCSFDAPALC-UHFFFAOYSA-N 0 3 288.420 2.827 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000736669213 574064584 /nfs/dbraw/zinc/06/45/84/574064584.db2.gz ZGXRJROAONKNGR-YPMHNXCESA-N 0 3 292.766 2.869 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccccc1Cl ZINC000736671701 574064703 /nfs/dbraw/zinc/06/47/03/574064703.db2.gz CBNCMASFVUFUAT-NXEZZACHSA-N 0 3 250.729 2.547 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000754044773 574065362 /nfs/dbraw/zinc/06/53/62/574065362.db2.gz YWVOTOZSHHUTAO-SMDDNHRTSA-N 0 3 271.364 2.655 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)s1 ZINC000754667690 574111925 /nfs/dbraw/zinc/11/19/25/574111925.db2.gz AOVYFWVTWJKBEE-WCQYABFASA-N 0 3 293.436 2.715 20 30 CFEDHN Cc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000754673869 574112515 /nfs/dbraw/zinc/11/25/15/574112515.db2.gz KDNLFNBQPVPHBO-ABAIWWIYSA-N 0 3 291.420 2.516 20 30 CFEDHN CC(C)n1cc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000754801887 574122326 /nfs/dbraw/zinc/12/23/26/574122326.db2.gz ZYQXPJFUFUSBHH-CXAGYDPISA-N 0 3 298.390 2.720 20 30 CFEDHN C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC000731843471 574130463 /nfs/dbraw/zinc/13/04/63/574130463.db2.gz IQWVPBWOONPUAN-UHFFFAOYSA-N 0 3 282.343 2.927 20 30 CFEDHN C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1[O-] ZINC000731843471 574130465 /nfs/dbraw/zinc/13/04/65/574130465.db2.gz IQWVPBWOONPUAN-UHFFFAOYSA-N 0 3 282.343 2.927 20 30 CFEDHN CCCCCCN(C)CC(=O)NCC#Cc1ccccc1 ZINC000731867310 574132322 /nfs/dbraw/zinc/13/23/22/574132322.db2.gz SOLKXTZCYUAHGR-UHFFFAOYSA-N 0 3 286.419 2.666 20 30 CFEDHN C#CCN(CC)Cc1cccc(Br)c1 ZINC000746134994 574136373 /nfs/dbraw/zinc/13/63/73/574136373.db2.gz LBTSRXBOHOPHDZ-UHFFFAOYSA-N 0 3 252.155 2.904 20 30 CFEDHN C#CCNC(=O)CN(CCCC)[C@@H](C)c1ccccc1 ZINC000746147645 574137141 /nfs/dbraw/zinc/13/71/41/574137141.db2.gz NYPMCEDNYVGZEA-HNNXBMFYSA-N 0 3 272.392 2.599 20 30 CFEDHN CC(C)CN(CCC#N)C(=O)[C@H](C)N1CCCCCC1 ZINC000746175554 574139140 /nfs/dbraw/zinc/13/91/40/574139140.db2.gz ZUYMIXPZUXHIIB-HNNXBMFYSA-N 0 3 279.428 2.649 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(c2nccc(C)n2)CC1 ZINC000755211091 574147329 /nfs/dbraw/zinc/14/73/29/574147329.db2.gz CHZYGTWPLFIQFQ-CQSZACIVSA-N 0 3 257.381 2.766 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)c1ccccc1 ZINC000729069677 574167626 /nfs/dbraw/zinc/16/76/26/574167626.db2.gz LKXZJVATIUDNKW-HIFRSBDPSA-N 0 3 284.359 2.581 20 30 CFEDHN CCON=C1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000755628954 574173362 /nfs/dbraw/zinc/17/33/62/574173362.db2.gz YVGAOHYHSLVGHN-UHFFFAOYSA-N 0 3 274.364 2.674 20 30 CFEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000747108341 574180475 /nfs/dbraw/zinc/18/04/75/574180475.db2.gz MUOYJRKYXVNNKO-OAHLLOKOSA-N 0 3 296.326 2.868 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ncnc2sccc21 ZINC000755887710 574194300 /nfs/dbraw/zinc/19/43/00/574194300.db2.gz VFRYTAIDJMKROF-VIFPVBQESA-N 0 3 287.392 2.573 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cc(F)cc(F)c1 ZINC000755890159 574194383 /nfs/dbraw/zinc/19/43/83/574194383.db2.gz JPJTUBVGMYRMCA-VIFPVBQESA-N 0 3 265.307 2.847 20 30 CFEDHN Cc1ccnc(N=NCc2ccc(OCCN(C)C)cc2)c1 ZINC000755904038 574195966 /nfs/dbraw/zinc/19/59/66/574195966.db2.gz VFDSMBMDQGKFNH-UHFFFAOYSA-N 0 3 298.390 2.776 20 30 CFEDHN C=CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000739915141 574228920 /nfs/dbraw/zinc/22/89/20/574228920.db2.gz NYUULPJZKSRQAA-BETUJISGSA-N 0 3 268.401 2.892 20 30 CFEDHN C=C(C)[C@H](CC(=O)C(C#N)c1nc(C)cs1)OCC ZINC000756504453 574242242 /nfs/dbraw/zinc/24/22/42/574242242.db2.gz OJTKFNPCJOJKHZ-AAEUAGOBSA-N 0 3 278.377 2.999 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCCCC)CC1 ZINC000730111791 574254043 /nfs/dbraw/zinc/25/40/43/574254043.db2.gz OAPACDYTKNGOCQ-CQSZACIVSA-N 0 3 281.444 2.905 20 30 CFEDHN N#CC(C(=O)C[C@H]1CCOC1)c1ccc2ccccc2n1 ZINC000740527591 574254377 /nfs/dbraw/zinc/25/43/77/574254377.db2.gz HQDCCKUDUCQDLE-OCCSQVGLSA-N 0 3 280.327 2.838 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@H](CC)c2ccccc2)CC1 ZINC000740739181 574265028 /nfs/dbraw/zinc/26/50/28/574265028.db2.gz YIAHVKNPIDFLJI-GOSISDBHSA-N 0 3 298.430 2.784 20 30 CFEDHN Clc1cccc(CNN=C2CN3CCC2CC3)c1 ZINC000756828105 574266289 /nfs/dbraw/zinc/26/62/89/574266289.db2.gz WMVNEOILNFAKDP-UHFFFAOYSA-N 0 3 263.772 2.511 20 30 CFEDHN CCCCCCCCN1CCC[C@H]1C(=O)N(C)C ZINC000740873658 574271669 /nfs/dbraw/zinc/27/16/69/574271669.db2.gz SJSZHMHBWHMHIL-AWEZNQCLSA-N 0 3 254.418 2.900 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCCCC(C)C ZINC000749027220 574277119 /nfs/dbraw/zinc/27/71/19/574277119.db2.gz YMDAEAKBIAIZDZ-ZDUSSCGKSA-N 0 3 264.369 2.604 20 30 CFEDHN C#CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000734280094 574280396 /nfs/dbraw/zinc/28/03/96/574280396.db2.gz HDZTVUANLWIKDQ-QGZVFWFLSA-N 0 3 299.418 2.536 20 30 CFEDHN C[C@H]1CC(=NNC(=S)Nc2ccccc2F)CCN1C ZINC000741458822 574291088 /nfs/dbraw/zinc/29/10/88/574291088.db2.gz WPEFBLVPQJDTQZ-JTQLQIEISA-N 0 3 294.399 2.582 20 30 CFEDHN CCN(CCO)c1ccc(C=NOCC(C)C)c(C)c1 ZINC000749632208 574303369 /nfs/dbraw/zinc/30/33/69/574303369.db2.gz WORSBNYMCBPZJE-UHFFFAOYSA-N 0 3 278.396 2.820 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC(C)(C)C)nc(C)n1 ZINC000735209434 574316953 /nfs/dbraw/zinc/31/69/53/574316953.db2.gz WNNHFZJYCPCERT-DGMVEKRQSA-N 0 3 257.337 2.872 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000742180010 574317069 /nfs/dbraw/zinc/31/70/69/574317069.db2.gz MWPUOHQHMSWAQE-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN C#Cc1cccc(N(CC)C(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000742251846 574321432 /nfs/dbraw/zinc/32/14/32/574321432.db2.gz JXLYWIABAYFLTG-HUUCEWRRSA-N 0 3 284.403 2.894 20 30 CFEDHN COc1ccc(CNCc2ccc3c(c2)CCO3)cc1C#N ZINC000742369088 574325081 /nfs/dbraw/zinc/32/50/81/574325081.db2.gz VUVLPVZZAMRAFR-UHFFFAOYSA-N 0 3 294.354 2.792 20 30 CFEDHN C=CCCCN(CC)CC(=O)NCc1cccs1 ZINC000735492254 574327190 /nfs/dbraw/zinc/32/71/90/574327190.db2.gz LSGXSZVISNIVDU-UHFFFAOYSA-N 0 3 266.410 2.652 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000744448474 574335801 /nfs/dbraw/zinc/33/58/01/574335801.db2.gz JUFSHJBOCWNUQT-FUHWJXTLSA-N 0 3 287.403 2.992 20 30 CFEDHN N#Cc1ccc(CNCCN2CCc3ccccc32)cc1 ZINC000742718631 574340764 /nfs/dbraw/zinc/34/07/64/574340764.db2.gz RXOVODYJWIBILN-UHFFFAOYSA-N 0 3 277.371 2.711 20 30 CFEDHN COc1ccc(N=NC2C[C@H](C)N(C3CC3)C2)cc1 ZINC000750921894 574362902 /nfs/dbraw/zinc/36/29/02/574362902.db2.gz LSPYFLINGWMKSP-NSHDSACASA-N 0 3 259.353 2.720 20 30 CFEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000743474247 574365942 /nfs/dbraw/zinc/36/59/42/574365942.db2.gz RRTLQRYXEVJWFH-SNVBAGLBSA-N 0 3 299.201 2.784 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC000743490489 574366831 /nfs/dbraw/zinc/36/68/31/574366831.db2.gz QEJNTMNTTAXFMZ-OAHLLOKOSA-N 0 3 278.440 2.663 20 30 CFEDHN Cc1ccc([C@H]2CCC[C@@H]2N(C)CC(=O)NCCC#N)cc1 ZINC000743858236 574374526 /nfs/dbraw/zinc/37/45/26/574374526.db2.gz VLJBNCHFDDKATQ-SJORKVTESA-N 0 3 299.418 2.593 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCCC2)C1 ZINC000743864552 574374904 /nfs/dbraw/zinc/37/49/04/574374904.db2.gz KLXAMIIYPOYJMF-HOCLYGCPSA-N 0 3 291.439 2.695 20 30 CFEDHN CCCCCCCC(=O)Nc1ccn(CCN(C)C)n1 ZINC000751399495 574376501 /nfs/dbraw/zinc/37/65/01/574376501.db2.gz CWFXFCBCYSFKFZ-UHFFFAOYSA-N 0 3 280.416 2.744 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000752131299 574388305 /nfs/dbraw/zinc/38/83/05/574388305.db2.gz XRVDQUWCXIJLEI-HXUWFJFHSA-N 0 3 291.394 2.956 20 30 CFEDHN Cc1nnc(C)n1N=C[C@H]1CCCc2ccccc21 ZINC000752163360 574388657 /nfs/dbraw/zinc/38/86/57/574388657.db2.gz VNZJBIJCPIGMSL-CQSZACIVSA-N 0 3 254.337 2.849 20 30 CFEDHN C#CCOCCN[C@@H](C)c1ccccc1OC(F)F ZINC000753772036 574410070 /nfs/dbraw/zinc/41/00/70/574410070.db2.gz WXCLKPMNEGANHY-NSHDSACASA-N 0 3 269.291 2.588 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000935662085 649926938 /nfs/dbraw/zinc/92/69/38/649926938.db2.gz ATXBQENOLDBVMN-INIZCTEOSA-N 0 3 297.402 2.613 20 30 CFEDHN N#CC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CCCC1 ZINC000900584609 620694995 /nfs/dbraw/zinc/69/49/95/620694995.db2.gz MLKWRRYMXMDZBG-UHFFFAOYSA-N 0 3 296.374 2.857 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823894269 608283387 /nfs/dbraw/zinc/28/33/87/608283387.db2.gz LUWOHTJDQOFYPW-ZDUSSCGKSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823894269 608283389 /nfs/dbraw/zinc/28/33/89/608283389.db2.gz LUWOHTJDQOFYPW-ZDUSSCGKSA-N 0 3 289.358 2.840 20 30 CFEDHN C=C(CC)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823877851 608310073 /nfs/dbraw/zinc/31/00/73/608310073.db2.gz ILOHXDZPSWYYTJ-UHFFFAOYSA-N 0 3 283.379 2.797 20 30 CFEDHN C=C(CC)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823877851 608310074 /nfs/dbraw/zinc/31/00/74/608310074.db2.gz ILOHXDZPSWYYTJ-UHFFFAOYSA-N 0 3 283.379 2.797 20 30 CFEDHN N#CCCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826381692 608509443 /nfs/dbraw/zinc/50/94/43/608509443.db2.gz VMBUEMSGBFPBDA-HNNXBMFYSA-N 0 3 296.378 2.528 20 30 CFEDHN N#CCCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826381692 608509445 /nfs/dbraw/zinc/50/94/45/608509445.db2.gz VMBUEMSGBFPBDA-HNNXBMFYSA-N 0 3 296.378 2.528 20 30 CFEDHN C#CCCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823840873 608522489 /nfs/dbraw/zinc/52/24/89/608522489.db2.gz GBJCOGUSBXKORI-INIZCTEOSA-N 0 3 295.390 2.637 20 30 CFEDHN C#CCCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823840873 608522491 /nfs/dbraw/zinc/52/24/91/608522491.db2.gz GBJCOGUSBXKORI-INIZCTEOSA-N 0 3 295.390 2.637 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)C2CCC(CCCC)CC2)C1 ZINC000970651247 612960158 /nfs/dbraw/zinc/96/01/58/612960158.db2.gz KDOZMDYPNCNOJQ-OFLPRAFFSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC000970628218 612960212 /nfs/dbraw/zinc/96/02/12/612960212.db2.gz DMASCNKXXHENMC-UYSNPLJNSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)C2CCC(C)(C)CC2)C1 ZINC000970947481 612993730 /nfs/dbraw/zinc/99/37/30/612993730.db2.gz KSVOXSBNWVDXDQ-CQSZACIVSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969706043 612994206 /nfs/dbraw/zinc/99/42/06/612994206.db2.gz JEIOSUNGFATSSC-IJEWVQPXSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970935954 612996600 /nfs/dbraw/zinc/99/66/00/612996600.db2.gz APCFKPZYLPOBOR-LSDHHAIUSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccccc2CCC)C1 ZINC000970117758 612997973 /nfs/dbraw/zinc/99/79/73/612997973.db2.gz QSPDRQHATYJEOC-HNNXBMFYSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983390556 613004915 /nfs/dbraw/zinc/00/49/15/613004915.db2.gz QKETVFWWKDEONI-SJLPKXTDSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC000968424148 613016024 /nfs/dbraw/zinc/01/60/24/613016024.db2.gz ZFXSUIUABCWCFV-IUODEOHRSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965900772 613022725 /nfs/dbraw/zinc/02/27/25/613022725.db2.gz MUCTWTKYYRXGIP-ZFWWWQNUSA-N 0 3 292.398 2.634 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965476509 613023964 /nfs/dbraw/zinc/02/39/64/613023964.db2.gz MNSBYBCFRRZERX-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977450712 613037922 /nfs/dbraw/zinc/03/79/22/613037922.db2.gz OEODSFWZVZSYET-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977527376 613038450 /nfs/dbraw/zinc/03/84/50/613038450.db2.gz BIQIQZHZZRFAOQ-KRWDZBQOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C=C)cc2)CC1 ZINC000948799997 613163424 /nfs/dbraw/zinc/16/34/24/613163424.db2.gz CKRZWOBRZCIEOK-GOSISDBHSA-N 0 3 296.414 2.889 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3occc3c2)[C@@H](C)C1 ZINC000942072433 613236399 /nfs/dbraw/zinc/23/63/99/613236399.db2.gz JVAISQYGGCFYHM-XJKSGUPXSA-N 0 3 296.370 2.506 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)[C@@H](CC)SC)CC1 ZINC000980984737 613252624 /nfs/dbraw/zinc/25/26/24/613252624.db2.gz NXTVFLFGVLMTMP-CQSZACIVSA-N 0 3 284.469 2.629 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C[C@@H]1C ZINC000947580030 613257255 /nfs/dbraw/zinc/25/72/55/613257255.db2.gz INKLQOKVCVCJSM-HOCLYGCPSA-N 0 3 288.435 2.559 20 30 CFEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966520905 613269178 /nfs/dbraw/zinc/26/91/78/613269178.db2.gz GJYRWNOSORIPLZ-STQMWFEESA-N 0 3 293.436 2.550 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C[C@@H]1C ZINC000948078779 613270703 /nfs/dbraw/zinc/27/07/03/613270703.db2.gz NWPHUYAQLHIGOO-KSSFIOAISA-N 0 3 296.414 2.780 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970312798 613299858 /nfs/dbraw/zinc/29/98/58/613299858.db2.gz LSSNNZZBAHPGOF-CYBMUJFWSA-N 0 3 289.423 2.764 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC000970798335 613299874 /nfs/dbraw/zinc/29/98/74/613299874.db2.gz RTQLQJATTBNEPS-OAHLLOKOSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC000970081235 613299878 /nfs/dbraw/zinc/29/98/78/613299878.db2.gz CZVXWTXRJSPWMU-GFCCVEGCSA-N 0 3 292.448 2.991 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(F)cc2C)C1 ZINC000970768386 613300331 /nfs/dbraw/zinc/30/03/31/613300331.db2.gz DQMHNXZGHUOUAW-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC000970075735 613300365 /nfs/dbraw/zinc/30/03/65/613300365.db2.gz DAZPFIASHPITKM-GFCCVEGCSA-N 0 3 292.448 2.937 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2csc(C)c2C)C1 ZINC000969744255 613301186 /nfs/dbraw/zinc/30/11/86/613301186.db2.gz IAXDDRVWAVWVJS-GFCCVEGCSA-N 0 3 292.448 2.991 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969372805 613301822 /nfs/dbraw/zinc/30/18/22/613301822.db2.gz JMCDKXZAQFQMCS-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC000970785137 613303590 /nfs/dbraw/zinc/30/35/90/613303590.db2.gz XTLCPKOIXQWYNW-LBPRGKRZSA-N 0 3 292.810 2.966 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2sccc2CC)C1 ZINC000970922636 613304223 /nfs/dbraw/zinc/30/42/23/613304223.db2.gz ZVCNFWCXFRJEBB-LBPRGKRZSA-N 0 3 292.448 2.937 20 30 CFEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1conc1C ZINC000969010688 613306564 /nfs/dbraw/zinc/30/65/64/613306564.db2.gz AJUMAYRSQPQESB-CQSZACIVSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1oncc1C ZINC000969097521 613307442 /nfs/dbraw/zinc/30/74/42/613307442.db2.gz MSXNVYZNESPUSG-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966916470 613323531 /nfs/dbraw/zinc/32/35/31/613323531.db2.gz SYLUCHBXJLLTMC-DOMZBBRYSA-N 0 3 289.423 2.648 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000964835614 613324116 /nfs/dbraw/zinc/32/41/16/613324116.db2.gz IZCJDZGHVKWKHQ-CJNGLKHVSA-N 0 3 290.382 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968234701 613332057 /nfs/dbraw/zinc/33/20/57/613332057.db2.gz PYNZEZRUMPZITA-GJZGRUSLSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)Cc2occc2C)C1 ZINC000968233913 613332324 /nfs/dbraw/zinc/33/23/24/613332324.db2.gz OAKZRQGODLURTB-ZFWWWQNUSA-N 0 3 290.407 2.533 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966455791 613333326 /nfs/dbraw/zinc/33/33/26/613333326.db2.gz NCTQYWWAAHRUGM-DOTOQJQBSA-N 0 3 286.419 2.688 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972764057 613338634 /nfs/dbraw/zinc/33/86/34/613338634.db2.gz QHMVEFURQNZTIS-OAHLLOKOSA-N 0 3 272.392 2.703 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000974492586 613342077 /nfs/dbraw/zinc/34/20/77/613342077.db2.gz PYZZXFPNYBYDQP-HNNXBMFYSA-N 0 3 289.423 2.593 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3CCC3)C[C@H]2C1 ZINC000979496778 613380653 /nfs/dbraw/zinc/38/06/53/613380653.db2.gz FLGDXHAFQPIQGK-SOUVJXGZSA-N 0 3 296.842 2.756 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C(C)C)C[C@H]2C1 ZINC000979531545 613380698 /nfs/dbraw/zinc/38/06/98/613380698.db2.gz NPORVZFFHPRHMI-MELADBBJSA-N 0 3 284.831 2.612 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C(C)C)C[C@@H]2C1 ZINC000979531548 613381727 /nfs/dbraw/zinc/38/17/27/613381727.db2.gz 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DZBJIVFKDRLKOZ-KYZUINATSA-N 0 3 289.162 2.536 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCOC1 ZINC000176080399 617773810 /nfs/dbraw/zinc/77/38/10/617773810.db2.gz WNNRVTOKVKRQJF-OLZOCXBDSA-N 0 3 297.358 2.566 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001020847929 617812228 /nfs/dbraw/zinc/81/22/28/617812228.db2.gz HHYGMUJBICQPMJ-TUVASFSCSA-N 0 3 296.842 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001021006592 617905341 /nfs/dbraw/zinc/90/53/41/617905341.db2.gz WTRVNERRIGPSKA-HDJSIYSDSA-N 0 3 292.810 2.906 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021506872 618034119 /nfs/dbraw/zinc/03/41/19/618034119.db2.gz UHEXEFCYVMUEHA-ZWKOTPCHSA-N 0 3 296.414 2.636 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001022737577 618043164 /nfs/dbraw/zinc/04/31/64/618043164.db2.gz DLNFOGSBWSIWPA-YIYPIFLZSA-N 0 3 284.831 2.658 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021549146 618055332 /nfs/dbraw/zinc/05/53/32/618055332.db2.gz XAXJLYHNFAUVKT-DLBZAZTESA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001022910770 618120071 /nfs/dbraw/zinc/12/00/71/618120071.db2.gz HHYGMUJBICQPMJ-BARDWOONSA-N 0 3 296.842 2.802 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926117578 618122934 /nfs/dbraw/zinc/12/29/34/618122934.db2.gz YRGJZUZHAQJMMT-CYBMUJFWSA-N 0 3 266.772 2.905 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001022936585 618128656 /nfs/dbraw/zinc/12/86/56/618128656.db2.gz PTYYXKBNYWRHSU-XQQFMLRXSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001022936584 618128949 /nfs/dbraw/zinc/12/89/49/618128949.db2.gz PTYYXKBNYWRHSU-FRRDWIJNSA-N 0 3 282.815 2.556 20 30 CFEDHN C[C@@H]1C[C@@H](NN=C2CCCc3ccc(N)cc32)C[C@H](C)O1 ZINC000901301145 620779587 /nfs/dbraw/zinc/77/95/87/620779587.db2.gz FAVRNIXVBLHNLF-JJLQDPRZSA-N 0 3 287.407 2.855 20 30 CFEDHN C#CCN(Cc1ccc(-n2ccnc2)nc1)C1CCCC1 ZINC000155833512 618152533 /nfs/dbraw/zinc/15/25/33/618152533.db2.gz FZBWTHIQEXWRCM-UHFFFAOYSA-N 0 3 280.375 2.645 20 30 CFEDHN CCCN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000156962752 618164880 /nfs/dbraw/zinc/16/48/80/618164880.db2.gz OINKHTKCGXRAHZ-OAHLLOKOSA-N 0 3 287.407 2.505 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001021841188 618171635 /nfs/dbraw/zinc/17/16/35/618171635.db2.gz FHOMWBDBUMFTOD-DTORHVGOSA-N 0 3 289.162 2.536 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001023237600 618172896 /nfs/dbraw/zinc/17/28/96/618172896.db2.gz WOKBIJYMWPHOBZ-NSHDSACASA-N 0 3 282.771 2.561 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001023380441 618185837 /nfs/dbraw/zinc/18/58/37/618185837.db2.gz ZFHKELFOKUNQKU-OWCLPIDISA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001023384502 618186811 /nfs/dbraw/zinc/18/68/11/618186811.db2.gz JCLWXVLLCIBZKK-CQSZACIVSA-N 0 3 296.370 2.508 20 30 CFEDHN C#CCC1(NCc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000933296751 618192207 /nfs/dbraw/zinc/19/22/07/618192207.db2.gz NBIVLMHWUMLJBK-UHFFFAOYSA-N 0 3 262.284 2.770 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)CCC1 ZINC000933301517 618194986 /nfs/dbraw/zinc/19/49/86/618194986.db2.gz OMSXHSHYQQPHOF-NSHDSACASA-N 0 3 292.329 2.827 20 30 CFEDHN C[C@](CO)(NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000318055677 618198901 /nfs/dbraw/zinc/19/89/01/618198901.db2.gz NJGMJKNIVRFUMD-GOSISDBHSA-N 0 3 296.370 2.586 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1cnnn1-c1ccccc1 ZINC000926567071 618214138 /nfs/dbraw/zinc/21/41/38/618214138.db2.gz CZFRRYQANOUOBE-ZDUSSCGKSA-N 0 3 283.379 2.858 20 30 CFEDHN CC(C)CCSCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000121452819 618219649 /nfs/dbraw/zinc/21/96/49/618219649.db2.gz KIXPGCMOXGEDNY-ZDUSSCGKSA-N 0 3 296.436 2.533 20 30 CFEDHN C#CCOc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000092428289 618268340 /nfs/dbraw/zinc/26/83/40/618268340.db2.gz VNXCJSCOWQACBR-KRWDZBQOSA-N 0 3 273.376 2.700 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024320577 618291280 /nfs/dbraw/zinc/29/12/80/618291280.db2.gz UHBPFLUZZFFGST-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1COC2(CCCCC2)O1 ZINC000893306141 618291611 /nfs/dbraw/zinc/29/16/11/618291611.db2.gz XRXHGMZNPHHMPI-QGZVFWFLSA-N 0 3 285.387 2.704 20 30 CFEDHN C#CCSCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000194105795 618291807 /nfs/dbraw/zinc/29/18/07/618291807.db2.gz OCMOVRSUQQFFJT-AWEZNQCLSA-N 0 3 283.824 2.984 20 30 CFEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1cccs1 ZINC001024312780 618292189 /nfs/dbraw/zinc/29/21/89/618292189.db2.gz OAFLTOBVHGRLPH-CYBMUJFWSA-N 0 3 278.421 2.909 20 30 CFEDHN CN1CCN(c2ccc(Cl)c(C#N)n2)C[C@@H]1C(C)(C)C ZINC000895102308 618294734 /nfs/dbraw/zinc/29/47/34/618294734.db2.gz WNZORUMUSWDDDC-CYBMUJFWSA-N 0 3 292.814 2.773 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024506120 618339239 /nfs/dbraw/zinc/33/92/39/618339239.db2.gz JJMJLJIMPYDRDO-JKSUJKDBSA-N 0 3 288.435 2.561 20 30 CFEDHN N#CC(C(=O)C1C[C@H]2CC[C@@H](C1)S2)c1ccccn1 ZINC000892483095 618360020 /nfs/dbraw/zinc/36/00/20/618360020.db2.gz KLLPFXBPIPHALZ-PSEXLTFBSA-N 0 3 272.373 2.932 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccnn1C1CCC1 ZINC000925633861 618363904 /nfs/dbraw/zinc/36/39/04/618363904.db2.gz ZTSXOUORGBCKFE-ZDUSSCGKSA-N 0 3 263.385 2.851 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1csc(C#N)c1 ZINC000894125958 618371992 /nfs/dbraw/zinc/37/19/92/618371992.db2.gz XJUVYWXBIXDVDQ-AAEUAGOBSA-N 0 3 264.394 2.745 20 30 CFEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCF ZINC000892496106 618386903 /nfs/dbraw/zinc/38/69/03/618386903.db2.gz WBWCOEMKKJTQFG-CYBMUJFWSA-N 0 3 290.338 2.818 20 30 CFEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000894139332 618388175 /nfs/dbraw/zinc/38/81/75/618388175.db2.gz LXGAABGAADIRBO-CQSZACIVSA-N 0 3 288.391 2.541 20 30 CFEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2CC(=C)C)cc1 ZINC001024587206 618397125 /nfs/dbraw/zinc/39/71/25/618397125.db2.gz CSYZKVAMILGSPJ-GOSISDBHSA-N 0 3 296.414 2.828 20 30 CFEDHN O=C1[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCCN1[O-] ZINC000895162878 618411021 /nfs/dbraw/zinc/41/10/21/618411021.db2.gz OUDBKGQUZYUCGK-HRCADAONSA-N 0 3 288.391 2.683 20 30 CFEDHN CCC[C@@H](C[NH2+][C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895163432 618412726 /nfs/dbraw/zinc/41/27/26/618412726.db2.gz UMPLIVZGLMLGRA-GJZGRUSLSA-N 0 3 276.380 2.540 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024661610 618434600 /nfs/dbraw/zinc/43/46/00/618434600.db2.gz JTDKOPAKLCBAAO-IXDOHACOSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCCCCC[C@H](C)N[C@H](C)C1N=NC(=O)N1C ZINC000895178326 618438722 /nfs/dbraw/zinc/43/87/22/618438722.db2.gz ZFKXGLSZQQXQLJ-NWDGAFQWSA-N 0 3 266.389 2.696 20 30 CFEDHN N#Cc1csc(CNC[C@@H](O)c2ccsc2)c1 ZINC000177704608 618475842 /nfs/dbraw/zinc/47/58/42/618475842.db2.gz HMLDYJIHNRQCKX-GFCCVEGCSA-N 0 3 264.375 2.504 20 30 CFEDHN Cc1nc(CNCCc2ccc(C#N)cc2)sc1C ZINC000895310159 618526371 /nfs/dbraw/zinc/52/63/71/618526371.db2.gz MDCLXGXXXRYPOI-UHFFFAOYSA-N 0 3 271.389 2.964 20 30 CFEDHN C[C@]1(Br)C[C@@H]1CN1CCC[C@@H](CC#N)C1 ZINC000895312958 618529972 /nfs/dbraw/zinc/52/99/72/618529972.db2.gz AOUUTJTXKRGKRK-TUAOUCFPSA-N 0 3 271.202 2.786 20 30 CFEDHN C[C@]1(Br)C[C@H]1CN1CCC[C@@H](CC#N)C1 ZINC000895312932 618530191 /nfs/dbraw/zinc/53/01/91/618530191.db2.gz AOUUTJTXKRGKRK-SRVKXCTJSA-N 0 3 271.202 2.786 20 30 CFEDHN C[C@]1(Br)C[C@@H]1CN1CCC[C@H](CC#N)C1 ZINC000895312959 618530318 /nfs/dbraw/zinc/53/03/18/618530318.db2.gz AOUUTJTXKRGKRK-UTUOFQBUSA-N 0 3 271.202 2.786 20 30 CFEDHN C#CC1(O)CCN(C/C(C)=C\c2ccccc2COC)CC1 ZINC000895385163 618562111 /nfs/dbraw/zinc/56/21/11/618562111.db2.gz YYUFDELLTNTDFS-SSZFMOIBSA-N 0 3 299.414 2.696 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccc(OC)c(OC)c2F)C1 ZINC000895388954 618563183 /nfs/dbraw/zinc/56/31/83/618563183.db2.gz CPVNYKLLYJBTCU-LBPRGKRZSA-N 0 3 277.339 2.688 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1ccnc(-c2ccccn2)n1 ZINC000926854238 618756405 /nfs/dbraw/zinc/75/64/05/618756405.db2.gz MRNDFOCZDGCEEP-ZDUSSCGKSA-N 0 3 295.390 2.957 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)C2CC2)CC1 ZINC000892851133 618757458 /nfs/dbraw/zinc/75/74/58/618757458.db2.gz CXERXGGWBAUCFZ-UHFFFAOYSA-N 0 3 293.455 2.762 20 30 CFEDHN CC[S@](=O)[C@H]1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC000893098291 618830748 /nfs/dbraw/zinc/83/07/48/618830748.db2.gz KGPJCOPVMGAIKE-ZWOKBUDYSA-N 0 3 289.444 2.708 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001006604276 618884040 /nfs/dbraw/zinc/88/40/40/618884040.db2.gz UGYFSZZZFWJIOJ-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccccc1OC(F)(F)F ZINC000777452247 618958278 /nfs/dbraw/zinc/95/82/78/618958278.db2.gz BQQOIKYFMMFLAG-VIFPVBQESA-N 0 3 287.285 2.935 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006713649 619002527 /nfs/dbraw/zinc/00/25/27/619002527.db2.gz HMAZKOUOFVONMQ-AWEZNQCLSA-N 0 3 276.380 2.667 20 30 CFEDHN C[C@@H](C#N)CNC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893545111 619061644 /nfs/dbraw/zinc/06/16/44/619061644.db2.gz QKJKEIBOAPQSKQ-BBRMVZONSA-N 0 3 295.427 2.773 20 30 CFEDHN Cc1ccsc1C(Cc1ccccc1)=NNC1=NCCN1 ZINC000841659166 619063336 /nfs/dbraw/zinc/06/33/36/619063336.db2.gz MBDPODXYZFSAMT-UHFFFAOYSA-N 0 3 298.415 2.552 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H](C)[C@@H]1CC1(F)F ZINC000840965999 619167680 /nfs/dbraw/zinc/16/76/80/619167680.db2.gz LICIOWSANQKLEQ-AAEUAGOBSA-N 0 3 265.303 2.832 20 30 CFEDHN C[C@](O)(CCNCC#Cc1ccccc1)c1ccccc1 ZINC000893722003 619210098 /nfs/dbraw/zinc/21/00/98/619210098.db2.gz XRZIBVJJZCWLFE-IBGZPJMESA-N 0 3 279.383 2.926 20 30 CFEDHN Cc1ccccc1C[C@H](CO)NCC#Cc1ccccc1 ZINC000893928150 619246195 /nfs/dbraw/zinc/24/61/95/619246195.db2.gz GUICUGPQRFAHEU-LJQANCHMSA-N 0 3 279.383 2.540 20 30 CFEDHN C#CCNC(=O)CN1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000738340746 619331202 /nfs/dbraw/zinc/33/12/02/619331202.db2.gz OTYXQPHSZFBKST-YJBOKZPZSA-N 0 3 284.403 2.517 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(C)cc(C#N)cc2C)CC1 ZINC000894379739 619358963 /nfs/dbraw/zinc/35/89/63/619358963.db2.gz SHHREAZOVKEIMM-UHFFFAOYSA-N 0 3 297.402 2.555 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(CC(F)(F)F)s1 ZINC000894770616 619459549 /nfs/dbraw/zinc/45/95/49/619459549.db2.gz WWGHRQRLARVALW-SECBINFHSA-N 0 3 294.342 2.665 20 30 CFEDHN CC(C)(NCc1cccc(C#N)n1)[C@@H](O)c1ccccc1 ZINC000895660919 619578241 /nfs/dbraw/zinc/57/82/41/619578241.db2.gz ABVSPFPSMSPDPH-INIZCTEOSA-N 0 3 281.359 2.555 20 30 CFEDHN CC1(C)CO[C@H](CCNCc2cc(C#N)cnc2Cl)C1 ZINC000895802782 619611552 /nfs/dbraw/zinc/61/15/52/619611552.db2.gz PFUODNICUUGJEM-CYBMUJFWSA-N 0 3 293.798 2.901 20 30 CFEDHN C=CCC1(O)CCN(Cc2cccc(OCC)c2)CC1 ZINC000895836013 619620054 /nfs/dbraw/zinc/62/00/54/619620054.db2.gz UTQMBANRMYNJJB-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN COC(=O)[C@@H](CNCc1ccc(C#N)o1)C1CCCCC1 ZINC000895916846 619634017 /nfs/dbraw/zinc/63/40/17/619634017.db2.gz KWQBMHTUECQORO-HNNXBMFYSA-N 0 3 290.363 2.610 20 30 CFEDHN CCCCCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000895938683 619639931 /nfs/dbraw/zinc/63/99/31/619639931.db2.gz CXTDYWRBAZIPNB-CQSZACIVSA-N 0 3 269.433 2.692 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1CC2(CCC2)CO1 ZINC000896051138 619664274 /nfs/dbraw/zinc/66/42/74/619664274.db2.gz ANOIAFAJGGYZAB-INIZCTEOSA-N 0 3 255.361 2.587 20 30 CFEDHN C=C(Cl)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896451383 619737032 /nfs/dbraw/zinc/73/70/32/619737032.db2.gz CGOQKLMSDHTBDL-CQSZACIVSA-N 0 3 296.798 2.603 20 30 CFEDHN COC(=O)CC(C)(C)NCC#Cc1cccc(Cl)c1 ZINC000179052225 619745918 /nfs/dbraw/zinc/74/59/18/619745918.db2.gz BPVUQSCDMDDPSB-UHFFFAOYSA-N 0 3 279.767 2.623 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCO[C@H](C)CC2)cc1 ZINC000896584022 619767723 /nfs/dbraw/zinc/76/77/23/619767723.db2.gz KGAHHOBTSBHPJD-ZIAGYGMSSA-N 0 3 274.364 2.588 20 30 CFEDHN N#Cc1ccc(N[C@@H]2CCCN(C[C@H]3CCC=CO3)C2)nc1 ZINC000896655559 619784224 /nfs/dbraw/zinc/78/42/24/619784224.db2.gz ZFUJNQXZHDZJHG-HZPDHXFCSA-N 0 3 298.390 2.522 20 30 CFEDHN C=C(C)C[N@@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000985277926 619942863 /nfs/dbraw/zinc/94/28/63/619942863.db2.gz RONOWHCORGNYSQ-UHFFFAOYSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000985277926 619942864 /nfs/dbraw/zinc/94/28/64/619942864.db2.gz RONOWHCORGNYSQ-UHFFFAOYSA-N 0 3 288.391 2.505 20 30 CFEDHN C#CCC1(NCc2ccc(/C=C\C(=O)OC)o2)CCC1 ZINC000897350432 620013138 /nfs/dbraw/zinc/01/31/38/620013138.db2.gz AZVFVRPRMZOFAC-FPLPWBNLSA-N 0 3 273.332 2.501 20 30 CFEDHN C[C@H]1C[C@H]1c1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897398341 620095698 /nfs/dbraw/zinc/09/56/98/620095698.db2.gz BASKKUMMIGDABX-SWLSCSKDSA-N 0 3 296.374 2.871 20 30 CFEDHN C[C@H](NCc1nc(C#N)cs1)C1CC(F)(F)C1 ZINC000897629397 620264048 /nfs/dbraw/zinc/26/40/48/620264048.db2.gz JOEOMINLLYRWNS-ZETCQYMHSA-N 0 3 257.309 2.538 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC2CCCCCC2)C1 ZINC000989493832 620378950 /nfs/dbraw/zinc/37/89/50/620378950.db2.gz WSLZVMKIARSYAY-HOCLYGCPSA-N 0 3 276.424 2.559 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000989512300 620380055 /nfs/dbraw/zinc/38/00/55/620380055.db2.gz DSZBWDVWLQXGKV-MRXNPFEDSA-N 0 3 289.423 2.550 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000989681134 620385976 /nfs/dbraw/zinc/38/59/76/620385976.db2.gz WVYOXXOXDBUUSM-KSSFIOAISA-N 0 3 296.414 2.780 20 30 CFEDHN C=C[C@@H](C(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000989720468 620387990 /nfs/dbraw/zinc/38/79/90/620387990.db2.gz VLDKNWCGXKRQQM-MRXNPFEDSA-N 0 3 272.392 2.510 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000989835603 620393995 /nfs/dbraw/zinc/39/39/95/620393995.db2.gz VGNGJWDLBJXCBP-RDJZCZTQSA-N 0 3 298.430 2.567 20 30 CFEDHN CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989870806 620397226 /nfs/dbraw/zinc/39/72/26/620397226.db2.gz OISPFTNGPJUJMH-WMZOPIPTSA-N 0 3 297.402 2.581 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989919893 620402796 /nfs/dbraw/zinc/40/27/96/620402796.db2.gz VWXGIBIZEQPWAH-NVXWUHKLSA-N 0 3 276.424 2.866 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)CC3CCCCC3)CCC[C@@H]12 ZINC000989936203 620404086 /nfs/dbraw/zinc/40/40/86/620404086.db2.gz RYUXELPYYQPNGC-SJLPKXTDSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@H]12 ZINC000989948443 620404597 /nfs/dbraw/zinc/40/45/97/620404597.db2.gz MBFVRRPSXZSODN-DZGCQCFKSA-N 0 3 293.798 2.581 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)oc3C)CCC[C@@H]12 ZINC000989945586 620404688 /nfs/dbraw/zinc/40/46/88/620404688.db2.gz NRQRCCWSAWQRJT-WBVHZDCISA-N 0 3 288.391 2.809 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3oc(C)cc3C)CCC[C@@H]12 ZINC000990119677 620409710 /nfs/dbraw/zinc/40/97/10/620409710.db2.gz DPLLPDFTSIQTPY-RHSMWYFYSA-N 0 3 288.391 2.809 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3c(C)coc3C)CCC[C@@H]12 ZINC000990514369 620428244 /nfs/dbraw/zinc/42/82/44/620428244.db2.gz LJHNKLUKHPIXJY-RHSMWYFYSA-N 0 3 288.391 2.809 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990543257 620429630 /nfs/dbraw/zinc/42/96/30/620429630.db2.gz JPTFVKLBGRVCTP-WMLDXEAASA-N 0 3 276.424 2.722 20 30 CFEDHN CSCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000899379930 620558274 /nfs/dbraw/zinc/55/82/74/620558274.db2.gz DFXQEMXDMAFTRG-QVASGMJFSA-N 0 3 285.372 2.982 20 30 CFEDHN CC1(C)C[C@@H](CNC[C@H](C#N)CCC#N)C(C)(C)O1 ZINC000901624808 620874668 /nfs/dbraw/zinc/87/46/68/620874668.db2.gz RAYJNVXBKNGQEB-STQMWFEESA-N 0 3 263.385 2.613 20 30 CFEDHN C=CCC[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(=O)[O-] ZINC000901692410 620896189 /nfs/dbraw/zinc/89/61/89/620896189.db2.gz MUIKMBDRGFXPJO-INIZCTEOSA-N 0 3 294.439 2.793 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@H](c2ccccc2F)C1 ZINC000801919950 621128215 /nfs/dbraw/zinc/12/82/15/621128215.db2.gz PMUQZZJOXFGJTR-OLZOCXBDSA-N 0 3 262.328 2.544 20 30 CFEDHN COc1ccc(OCCN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902730820 621160563 /nfs/dbraw/zinc/16/05/63/621160563.db2.gz UAQAEZWNOHCIHB-ZDUSSCGKSA-N 0 3 297.358 2.691 20 30 CFEDHN C[C@H](Cc1ccco1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902732813 621160948 /nfs/dbraw/zinc/16/09/48/621160948.db2.gz KBGZFECKRDPWGJ-VXGBXAGGSA-N 0 3 255.321 2.828 20 30 CFEDHN C[C@@H](NCCOc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902766419 621169124 /nfs/dbraw/zinc/16/91/24/621169124.db2.gz KCCMAANGMAEFST-GFCCVEGCSA-N 0 3 285.322 2.822 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000902777001 621171116 /nfs/dbraw/zinc/17/11/16/621171116.db2.gz QLGGYSUOUMXWCW-SWLSCSKDSA-N 0 3 287.407 2.902 20 30 CFEDHN CC(C)CC[C@](C)(O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902814308 621184940 /nfs/dbraw/zinc/18/49/40/621184940.db2.gz CDSWTLYIRXVNOG-BBRMVZONSA-N 0 3 275.396 2.791 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902830866 621186518 /nfs/dbraw/zinc/18/65/18/621186518.db2.gz SGHULHOJJLYGJN-RHSMWYFYSA-N 0 3 295.386 2.862 20 30 CFEDHN CC[C@@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1cccc(C#N)c1 ZINC000902872161 621193254 /nfs/dbraw/zinc/19/32/54/621193254.db2.gz XBGLHNRPJVBDME-HZPDHXFCSA-N 0 3 285.391 2.608 20 30 CFEDHN C=C(Cl)CN[C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902871390 621193550 /nfs/dbraw/zinc/19/35/50/621193550.db2.gz NGQVNNZUBGQKNK-WCQYABFASA-N 0 3 251.757 2.968 20 30 CFEDHN C[C@H](N[C@@H](CO)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902874361 621194476 /nfs/dbraw/zinc/19/44/76/621194476.db2.gz FFJIMPKIZJCKEP-LRDDRELGSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)c1cccc(F)c1 ZINC000902875416 621195080 /nfs/dbraw/zinc/19/50/80/621195080.db2.gz NCHWFNMLUHFWFU-JKDFXYPNSA-N 0 3 299.349 2.865 20 30 CFEDHN C[C@@H](NCCc1cnc(C2CC2)nc1)c1cc(C#N)ccn1 ZINC000902888904 621199923 /nfs/dbraw/zinc/19/99/23/621199923.db2.gz YFRULVODWXYKIR-GFCCVEGCSA-N 0 3 293.374 2.514 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902952079 621212895 /nfs/dbraw/zinc/21/28/95/621212895.db2.gz UICJHFQLVPODAS-ONGXEEELSA-N 0 3 274.286 2.688 20 30 CFEDHN C[C@@H](NC[C@H](C)c1nccs1)c1cc(C#N)ccn1 ZINC000902952050 621213047 /nfs/dbraw/zinc/21/30/47/621213047.db2.gz TVIJMQLNEYYGSF-WDEREUQCSA-N 0 3 272.377 2.864 20 30 CFEDHN CCC(O)(CC)CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902970343 621213882 /nfs/dbraw/zinc/21/38/82/621213882.db2.gz LXEPGLOJXNTVPW-LBPRGKRZSA-N 0 3 261.369 2.545 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)[C@H]1CCCO1 ZINC000902958770 621214369 /nfs/dbraw/zinc/21/43/69/621214369.db2.gz SRFMRCRJYHGNOA-JCGIZDLHSA-N 0 3 295.386 2.704 20 30 CFEDHN COC1(CN[C@@H](C)c2cc(C#N)ccn2)CCCCC1 ZINC000902959100 621214848 /nfs/dbraw/zinc/21/48/48/621214848.db2.gz YTLTVIBCECBLDC-ZDUSSCGKSA-N 0 3 273.380 2.953 20 30 CFEDHN CC[C@H](NCc1ccc(C)n(C)c1=O)c1cccc(C#N)c1 ZINC000902975530 621215669 /nfs/dbraw/zinc/21/56/69/621215669.db2.gz GXSRAWWNOQTTLV-KRWDZBQOSA-N 0 3 295.386 2.806 20 30 CFEDHN CC[C@@H](N[C@H](CO)CC(F)F)c1cccc(C#N)c1 ZINC000902972218 621221033 /nfs/dbraw/zinc/22/10/33/621221033.db2.gz BSRXIENNHMWNSP-QWHCGFSZSA-N 0 3 268.307 2.615 20 30 CFEDHN Cc1ccc(CCN[C@H](C)c2cc(C#N)ccn2)nc1 ZINC000903015243 621221871 /nfs/dbraw/zinc/22/18/71/621221871.db2.gz DUSJCWSLDCAQBZ-CYBMUJFWSA-N 0 3 266.348 2.550 20 30 CFEDHN C[C@@H](N[C@H]1COc2cc(F)ccc2C1)c1cc(C#N)ccn1 ZINC000903051845 621242665 /nfs/dbraw/zinc/24/26/65/621242665.db2.gz YNPINZZOCPYQQV-IAQYHMDHSA-N 0 3 297.333 2.747 20 30 CFEDHN C[C@@H](NC[C@@H]1c2ccccc2CN1C)c1cc(C#N)ccn1 ZINC000903080359 621245380 /nfs/dbraw/zinc/24/53/80/621245380.db2.gz JVOJAUKJUOFZLO-FZKQIMNGSA-N 0 3 292.386 2.791 20 30 CFEDHN CC(C)[C@@H](Cn1cccn1)NCC1(C#N)CCCC1 ZINC000903108581 621255888 /nfs/dbraw/zinc/25/58/88/621255888.db2.gz DNUILADVYVAUEE-CQSZACIVSA-N 0 3 260.385 2.581 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288581 621319503 /nfs/dbraw/zinc/31/95/03/621319503.db2.gz ZDTIFWRCFMPMFG-NQBHXWOUSA-N 0 3 259.309 2.938 20 30 CFEDHN C[C@H](NC[C@@H]1CCCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000903356711 621347186 /nfs/dbraw/zinc/34/71/86/621347186.db2.gz UCZDKNAOBXIQNM-JSGCOSHPSA-N 0 3 273.380 2.952 20 30 CFEDHN CN1CC[C@H]1C/N=C\c1c(O)ccc2ccccc21 ZINC000905001903 621680249 /nfs/dbraw/zinc/68/02/49/621680249.db2.gz CWKBKOLQVRLHDK-MFVBVHDHSA-N 0 3 254.333 2.668 20 30 CFEDHN CC(C)Oc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080465 621690844 /nfs/dbraw/zinc/69/08/44/621690844.db2.gz LARLGAGKMMLJFT-KYJZABPNSA-N 0 3 283.331 2.906 20 30 CFEDHN CCN(CC)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905081074 621690850 /nfs/dbraw/zinc/69/08/50/621690850.db2.gz PAAMTWNBZUDIOK-JXCQQFQQSA-N 0 3 296.374 2.965 20 30 CFEDHN CC1/C(=C/c2ccc(C(C)(C)C#N)cc2)C(=O)c2ncnn21 ZINC000905084347 621692225 /nfs/dbraw/zinc/69/22/25/621692225.db2.gz IQTQIUJRIURSMU-ZEVOCZHWSA-N 0 3 292.342 2.920 20 30 CFEDHN CC1/C(=C\c2ccc(OCC3CC3)cc2)C(=O)c2ncnn21 ZINC000905085116 621692985 /nfs/dbraw/zinc/69/29/85/621692985.db2.gz MLTNCHRFBRBJMI-UXYFDLPDSA-N 0 3 295.342 2.908 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000924803761 621784674 /nfs/dbraw/zinc/78/46/74/621784674.db2.gz CJLWXBJNQDXMSE-KBPBESRZSA-N 0 3 285.391 2.710 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCCc3cccnc32)cc1 ZINC000905602989 621795528 /nfs/dbraw/zinc/79/55/28/621795528.db2.gz UUTYLZQNWDBFQW-SJORKVTESA-N 0 3 293.370 2.654 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CCc2cccc3cccc1c32 ZINC000905844024 621886249 /nfs/dbraw/zinc/88/62/49/621886249.db2.gz NKYJZRZXEKQMKZ-DYVFJYSZSA-N 0 3 292.382 2.555 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H](O)CCC1(O)CCC1 ZINC000905900014 621894041 /nfs/dbraw/zinc/89/40/41/621894041.db2.gz NXSCGTNORPPZIB-CQSZACIVSA-N 0 3 295.448 2.792 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CC(Cc3ccsc3)C2)CCC1 ZINC000905965376 621906411 /nfs/dbraw/zinc/90/64/11/621906411.db2.gz GVGMYTUSECIBNA-OAHLLOKOSA-N 0 3 290.432 2.667 20 30 CFEDHN N#Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)s1 ZINC000906166052 621941602 /nfs/dbraw/zinc/94/16/02/621941602.db2.gz VULCRXUDGQJARR-LLVKDONJSA-N 0 3 256.334 2.501 20 30 CFEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccnnc1 ZINC000924809219 622043287 /nfs/dbraw/zinc/04/32/87/622043287.db2.gz AJAGEZZILKHHOF-ZDUSSCGKSA-N 0 3 298.415 2.932 20 30 CFEDHN CCCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@@H]1CCN(C)C1 ZINC000911513302 622525483 /nfs/dbraw/zinc/52/54/83/622525483.db2.gz XUOGNLQKXDBGTJ-MRXNPFEDSA-N 0 3 299.418 2.731 20 30 CFEDHN C=CC1(CC(=O)N2CCNCC2(C)C)CCCCC1 ZINC000911849018 622564584 /nfs/dbraw/zinc/56/45/84/622564584.db2.gz XYPDEIJRLULKJP-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(F)c1 ZINC000911937585 622591462 /nfs/dbraw/zinc/59/14/62/622591462.db2.gz SOUNJQUEACUUAS-CYBMUJFWSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(CCCC)s1 ZINC000911972145 622601441 /nfs/dbraw/zinc/60/14/41/622601441.db2.gz PUBOTKKPUGPCIF-SNVBAGLBSA-N 0 3 282.413 2.503 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCC34CC4)CCC[C@@H]12 ZINC000991362616 622603352 /nfs/dbraw/zinc/60/33/52/622603352.db2.gz RUJFMNYHLITPDT-IIDMSEBBSA-N 0 3 288.435 2.866 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@H]12 ZINC000991363062 622606212 /nfs/dbraw/zinc/60/62/12/622606212.db2.gz VHFRSOOEVWJLAF-QILLFSRXSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1cccs1 ZINC000912082310 622621044 /nfs/dbraw/zinc/62/10/44/622621044.db2.gz TUDUVRXTWLMPNP-ZDUSSCGKSA-N 0 3 266.410 2.780 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000912053993 622621365 /nfs/dbraw/zinc/62/13/65/622621365.db2.gz KBVGBKBGJBMXBJ-IINYFYTJSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)C1CCC(C)CC1 ZINC000912077712 622625794 /nfs/dbraw/zinc/62/57/94/622625794.db2.gz HSWRKCOSYXJREK-RUXDESIVSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCOc1ccc(Cl)cc1 ZINC000912081892 622627280 /nfs/dbraw/zinc/62/72/80/622627280.db2.gz OOBQAUNUXSMSEP-CQSZACIVSA-N 0 3 296.798 2.519 20 30 CFEDHN CC[C@@H](C)N[C@H](CNc1ccnc(C#N)c1)c1ccco1 ZINC000912151494 622651105 /nfs/dbraw/zinc/65/11/05/622651105.db2.gz YFRXXYJUQFYTEB-IUODEOHRSA-N 0 3 284.363 2.509 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000912263117 622668833 /nfs/dbraw/zinc/66/88/33/622668833.db2.gz JJAMDRZSFMKLFU-LLVKDONJSA-N 0 3 272.270 2.726 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccc(C)c1 ZINC000912342668 622691038 /nfs/dbraw/zinc/69/10/38/622691038.db2.gz LISXRKYWJDZDNH-HNNXBMFYSA-N 0 3 260.381 2.637 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1COCC ZINC000912350038 622691882 /nfs/dbraw/zinc/69/18/82/622691882.db2.gz BTLOQOKJBNOOFT-INIZCTEOSA-N 0 3 290.407 2.523 20 30 CFEDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCCC#N ZINC000913098145 622835790 /nfs/dbraw/zinc/83/57/90/622835790.db2.gz ZCHHOBAVXTXOPG-DOTOQJQBSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC#N ZINC000913098148 622836077 /nfs/dbraw/zinc/83/60/77/622836077.db2.gz ZCHHOBAVXTXOPG-WBVHZDCISA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCOc1ccccc1C(=O)OCCN1CCCCC1 ZINC000913366450 622885216 /nfs/dbraw/zinc/88/52/16/622885216.db2.gz KHBGDGXXQMBUAA-UHFFFAOYSA-N 0 3 289.375 2.894 20 30 CFEDHN CS[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156329382 622933816 /nfs/dbraw/zinc/93/38/16/622933816.db2.gz PLQFPXCCVIKJST-DGCLKSJQSA-N 0 3 290.388 2.784 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000876701572 622946038 /nfs/dbraw/zinc/94/60/38/622946038.db2.gz VCNGMHKHNNGZFP-DLOVCJGASA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C)CCC(F)(F)CC1 ZINC000877005672 623010291 /nfs/dbraw/zinc/01/02/91/623010291.db2.gz KZUAHMBGRWSEIZ-VIFPVBQESA-N 0 3 280.746 2.541 20 30 CFEDHN C#C[C@@H](CC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000229892225 623231660 /nfs/dbraw/zinc/23/16/60/623231660.db2.gz AXOXZZJXYCMVJM-NSHDSACASA-N 0 3 253.729 2.556 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000823268795 623280102 /nfs/dbraw/zinc/28/01/02/623280102.db2.gz QJQFNSAIACSASW-NVXWUHKLSA-N 0 3 284.403 2.598 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986389 623379445 /nfs/dbraw/zinc/37/94/45/623379445.db2.gz PFXPAYSJMRPCRS-FZMZJTMJSA-N 0 3 288.347 2.779 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@H]12 ZINC000992132728 623464513 /nfs/dbraw/zinc/46/45/13/623464513.db2.gz UUUZHVQQBKBNGM-MAUKXSAKSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CCC(F)CC3)CCC[C@H]12 ZINC000992152137 623470187 /nfs/dbraw/zinc/47/01/87/623470187.db2.gz LRGRAJUVUFINCJ-UMPYDWHISA-N 0 3 294.414 2.814 20 30 CFEDHN C#CCOc1ccccc1CN(CC)C[C@H]1CCCO1 ZINC000092407632 623545181 /nfs/dbraw/zinc/54/51/81/623545181.db2.gz IHORNNLLDNVENI-MRXNPFEDSA-N 0 3 273.376 2.700 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)CC(C)(C)O ZINC000824702250 623547678 /nfs/dbraw/zinc/54/76/78/623547678.db2.gz KEFZNCVFBFWYHE-LBPRGKRZSA-N 0 3 295.810 2.991 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)C#CC(C)C)N2CCCC2)cc1 ZINC000824702941 623548880 /nfs/dbraw/zinc/54/88/80/623548880.db2.gz UQUPBFYJVPKFTN-SFHVURJKSA-N 0 3 298.430 2.908 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992433493 623556959 /nfs/dbraw/zinc/55/69/59/623556959.db2.gz RJKZNWPZKYGGBW-KVSKMBFKSA-N 0 3 296.414 2.537 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000824955242 623594890 /nfs/dbraw/zinc/59/48/90/623594890.db2.gz VXLMSPNYRFDYAW-OLZOCXBDSA-N 0 3 297.782 2.877 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@](C)(F)CCCC)CC1 ZINC000826656482 623832754 /nfs/dbraw/zinc/83/27/54/623832754.db2.gz QBXRSOBGNRBFHF-OAHLLOKOSA-N 0 3 270.392 2.671 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cncs2)[C@H]1C ZINC000993076797 623894528 /nfs/dbraw/zinc/89/45/28/623894528.db2.gz GQZSBWDUMRCBDL-CHWSQXEVSA-N 0 3 293.436 2.692 20 30 CFEDHN C#CCCOc1ccc(CN2CC(CCOC)C2)cc1 ZINC000826899261 623905623 /nfs/dbraw/zinc/90/56/23/623905623.db2.gz HTRIJZIWDLTWKT-UHFFFAOYSA-N 0 3 273.376 2.557 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000826948471 623913918 /nfs/dbraw/zinc/91/39/18/623913918.db2.gz ZCOSSZDAUXSGHZ-RYUDHWBXSA-N 0 3 266.410 2.985 20 30 CFEDHN C#Cc1cnc(NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000827270184 623978329 /nfs/dbraw/zinc/97/83/29/623978329.db2.gz RASJWECMJKMXTL-UHFFFAOYSA-N 0 3 292.386 2.534 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccsc1 ZINC000193365953 623984786 /nfs/dbraw/zinc/98/47/86/623984786.db2.gz MHURGURIJITKHT-CYBMUJFWSA-N 0 3 292.404 2.696 20 30 CFEDHN C#C[C@@H](NCc1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000827570254 624035305 /nfs/dbraw/zinc/03/53/05/624035305.db2.gz KDJSNXAQVRGFMD-OAHLLOKOSA-N 0 3 281.758 2.997 20 30 CFEDHN C#C[C@H](NCc1ccccc1OCC)C1CCOCC1 ZINC000827571306 624036260 /nfs/dbraw/zinc/03/62/60/624036260.db2.gz YTQAUSJONBNLOB-INIZCTEOSA-N 0 3 273.376 2.603 20 30 CFEDHN C#C[C@H](NCc1ccccc1OCC1CC1)C1CCOCC1 ZINC000827570788 624036694 /nfs/dbraw/zinc/03/66/94/624036694.db2.gz QSYKCWFYCXSAFF-SFHVURJKSA-N 0 3 299.414 2.993 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993262691 624059689 /nfs/dbraw/zinc/05/96/89/624059689.db2.gz UPAQVAMGQUXGBB-YPMHNXCESA-N 0 3 294.782 2.539 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993353228 624120166 /nfs/dbraw/zinc/12/01/66/624120166.db2.gz XWEFCECPTNBUKU-ZFWWWQNUSA-N 0 3 262.397 2.642 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(O)(c2cccc(C)c2C)CC1 ZINC000827894386 624123171 /nfs/dbraw/zinc/12/31/71/624123171.db2.gz MGGWSXANRKFFCJ-QGZVFWFLSA-N 0 3 289.419 2.524 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993392427 624129896 /nfs/dbraw/zinc/12/98/96/624129896.db2.gz HYFNQQSKHIMFIK-STQMWFEESA-N 0 3 293.436 2.692 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993505837 624148212 /nfs/dbraw/zinc/14/82/12/624148212.db2.gz NOMCYRHJDZDFTJ-CTMQZQKCSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993654279 624156344 /nfs/dbraw/zinc/15/63/44/624156344.db2.gz FKXIDDGVMSFYCO-GOEBONIOSA-N 0 3 288.435 2.559 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993795016 624165686 /nfs/dbraw/zinc/16/56/86/624165686.db2.gz WWHOTHLBPWNCFH-LSDHHAIUSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCCF)[C@@H]2C)C1 ZINC000993786522 624169799 /nfs/dbraw/zinc/16/97/99/624169799.db2.gz GEBWXEWAOCXULQ-KGLIPLIRSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC000993856684 624172386 /nfs/dbraw/zinc/17/23/86/624172386.db2.gz ONMXPOBMPTWXOI-CZUORRHYSA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@@H]1C ZINC000993856687 624172486 /nfs/dbraw/zinc/17/24/86/624172486.db2.gz ONMXPOBMPTWXOI-XJKSGUPXSA-N 0 3 297.402 2.937 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnc(C)c2)[C@@H]1C ZINC000994035394 624177170 /nfs/dbraw/zinc/17/71/70/624177170.db2.gz FOGXNXMEQOAIJK-GOEBONIOSA-N 0 3 287.407 2.549 20 30 CFEDHN CCCCNN=Cc1ccc(N(C)CCC#N)cc1 ZINC000915966310 624194780 /nfs/dbraw/zinc/19/47/80/624194780.db2.gz POGAJCQNRZXWDY-UHFFFAOYSA-N 0 3 258.369 2.760 20 30 CFEDHN CC(C)C#CC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000828454425 624249494 /nfs/dbraw/zinc/24/94/94/624249494.db2.gz UPVSRMGPMNSLRN-UHFFFAOYSA-N 0 3 284.403 2.775 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916875303 624290397 /nfs/dbraw/zinc/29/03/97/624290397.db2.gz XQSIOXAHNWIUSC-NSHDSACASA-N 0 3 288.338 2.827 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccn2CC)[C@@H]1C ZINC000994420825 624293697 /nfs/dbraw/zinc/29/36/97/624293697.db2.gz LCOPBKKPLZHYRJ-LSDHHAIUSA-N 0 3 289.423 2.667 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755835 624294642 /nfs/dbraw/zinc/29/46/42/624294642.db2.gz SEZOMYZDTGNLHT-ROUUACIJSA-N 0 3 298.430 2.558 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994438745 624295672 /nfs/dbraw/zinc/29/56/72/624295672.db2.gz QYARAEMJPBHMEB-RDJZCZTQSA-N 0 3 288.435 2.725 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994438739 624295836 /nfs/dbraw/zinc/29/58/36/624295836.db2.gz QYARAEMJPBHMEB-NVXWUHKLSA-N 0 3 288.435 2.725 20 30 CFEDHN C=CCCCC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000829443724 624434578 /nfs/dbraw/zinc/43/45/78/624434578.db2.gz BRSAXYSBBJQWHJ-UHFFFAOYSA-N 0 3 292.345 2.733 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)C#CC(C)C ZINC000829678311 624505662 /nfs/dbraw/zinc/50/56/62/624505662.db2.gz DLNAMQMLRFRYPZ-UHFFFAOYSA-N 0 3 258.365 2.655 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829744639 624518538 /nfs/dbraw/zinc/51/85/38/624518538.db2.gz JECSYFQJDDMXDA-UONOGXRCSA-N 0 3 285.391 2.669 20 30 CFEDHN C#CCCCN(C)Cc1ccc(Br)o1 ZINC000766896463 624526119 /nfs/dbraw/zinc/52/61/19/624526119.db2.gz PBSIUNVFQOTDPF-UHFFFAOYSA-N 0 3 256.143 2.887 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000829768585 624527802 /nfs/dbraw/zinc/52/78/02/624527802.db2.gz GXAOVDGBMAVSQJ-CYBMUJFWSA-N 0 3 289.350 2.928 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N[C@@H](C)CCCCC)C1 ZINC000829769092 624529315 /nfs/dbraw/zinc/52/93/15/624529315.db2.gz OKSKPVUXYFDRMD-JKSUJKDBSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000829773606 624529425 /nfs/dbraw/zinc/52/94/25/624529425.db2.gz GTUOXBJMJHDSDL-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000829773109 624529532 /nfs/dbraw/zinc/52/95/32/624529532.db2.gz ARRDVTYNYGGCHJ-IRXDYDNUSA-N 0 3 298.430 2.735 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000829773605 624529560 /nfs/dbraw/zinc/52/95/60/624529560.db2.gz GTUOXBJMJHDSDL-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930061352 624534674 /nfs/dbraw/zinc/53/46/74/624534674.db2.gz LIIMDEVFBAPUAN-AWEZNQCLSA-N 0 3 278.783 2.947 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000829779561 624534943 /nfs/dbraw/zinc/53/49/43/624534943.db2.gz WSEHEFMVXGPYPX-WFASDCNBSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000829783694 624536885 /nfs/dbraw/zinc/53/68/85/624536885.db2.gz ARVOEMSAUBTGQI-DOTOQJQBSA-N 0 3 282.387 2.527 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000829794090 624540823 /nfs/dbraw/zinc/54/08/23/624540823.db2.gz QZRCBRIMEDKHQG-YJBOKZPZSA-N 0 3 296.414 2.742 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000829810027 624548985 /nfs/dbraw/zinc/54/89/85/624548985.db2.gz KOMMYVXMRRSIFK-CYBMUJFWSA-N 0 3 288.347 2.839 20 30 CFEDHN C#CCN(CC)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000920094306 624674316 /nfs/dbraw/zinc/67/43/16/624674316.db2.gz CYTJZFFGRPXGAY-QGZVFWFLSA-N 0 3 283.371 2.535 20 30 CFEDHN CC[NH+]1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000920944192 624785236 /nfs/dbraw/zinc/78/52/36/624785236.db2.gz JBMDRKBFTHHGRU-MHWRWJLKSA-N 0 3 266.772 2.949 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1CC1(Cl)Cl ZINC000920956885 624788446 /nfs/dbraw/zinc/78/84/46/624788446.db2.gz YEXPXXZCBGXGMO-LBPRGKRZSA-N 0 3 284.186 2.982 20 30 CFEDHN CC1(C)OCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000830658255 624807821 /nfs/dbraw/zinc/80/78/21/624807821.db2.gz LHUBXQLPTWLURM-CQSZACIVSA-N 0 3 294.782 2.899 20 30 CFEDHN C#CCCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180653555 625032634 /nfs/dbraw/zinc/03/26/34/625032634.db2.gz OXQAHLZVCXUZHA-MRXNPFEDSA-N 0 3 271.339 2.652 20 30 CFEDHN Cc1ccc(CNC(=O)[C@H](C)N2CCCCCC2)cc1C#N ZINC000831798854 625133780 /nfs/dbraw/zinc/13/37/80/625133780.db2.gz UZPOUAUCFIEBNA-HNNXBMFYSA-N 0 3 299.418 2.747 20 30 CFEDHN C=C(Cl)CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832040826 625210238 /nfs/dbraw/zinc/21/02/38/625210238.db2.gz IXVJPKOWUZFOTH-OLZOCXBDSA-N 0 3 271.788 2.747 20 30 CFEDHN COCCOc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000069708957 625210441 /nfs/dbraw/zinc/21/04/41/625210441.db2.gz JFAMPCSMTZGUGU-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1cccs1 ZINC000069911984 625244113 /nfs/dbraw/zinc/24/41/13/625244113.db2.gz IJIGWQQIGGABMS-ZDUSSCGKSA-N 0 3 292.404 2.696 20 30 CFEDHN N#Cc1ccc(OCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834668892 625773338 /nfs/dbraw/zinc/77/33/38/625773338.db2.gz PNLRABDOOPZYLM-INIZCTEOSA-N 0 3 294.354 2.920 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NNC2CCOCC2)cc1 ZINC000834961545 625933588 /nfs/dbraw/zinc/93/35/88/625933588.db2.gz NQGUUJONWJNHAB-SUAIPXQRSA-N 0 3 273.380 2.520 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NN[C@@H]2CCSC2)cc1 ZINC000834979049 625943925 /nfs/dbraw/zinc/94/39/25/625943925.db2.gz FKMNSWVYBKRVPQ-CEKJBENUSA-N 0 3 275.421 2.847 20 30 CFEDHN CC(=NN[C@@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000835013335 625959810 /nfs/dbraw/zinc/95/98/10/625959810.db2.gz 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/nfs/dbraw/zinc/27/12/76/626271276.db2.gz VLYZJZSZAAPCGD-HAQNSBGRSA-N 0 3 292.404 2.830 20 30 CFEDHN C=CCCn1cc(CNCC2CCC(SC)CC2)nn1 ZINC000922420524 626285856 /nfs/dbraw/zinc/28/58/56/626285856.db2.gz HBTYKJZKIYAQJQ-UHFFFAOYSA-N 0 3 294.468 2.866 20 30 CFEDHN N#Cc1cc(CN[C@H](CO)CCc2ccccc2)cs1 ZINC000922542190 626306861 /nfs/dbraw/zinc/30/68/61/626306861.db2.gz QHUNFNWXAHAYMO-HNNXBMFYSA-N 0 3 286.400 2.703 20 30 CFEDHN Cc1c[nH]c(CNC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000922603252 626323381 /nfs/dbraw/zinc/32/33/81/626323381.db2.gz JFEWNLBHMUZQRS-UHFFFAOYSA-N 0 3 268.364 2.701 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H]2CC[C@@H](C(F)(F)F)O2)o1 ZINC000922678611 626340473 /nfs/dbraw/zinc/34/04/73/626340473.db2.gz FBMQBZDSZUGYPJ-CABZTGNLSA-N 0 3 288.269 2.741 20 30 CFEDHN C=C1CCC(CNCc2cn(C3CCC3)nn2)CC1 ZINC000922710756 626348314 /nfs/dbraw/zinc/34/83/14/626348314.db2.gz NKABAJLYRQCXDV-UHFFFAOYSA-N 0 3 260.385 2.839 20 30 CFEDHN Cc1ccc(CNCc2ccc3c(c2)OCCO3)cc1C#N ZINC000922761031 626360365 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626481086 /nfs/dbraw/zinc/48/10/86/626481086.db2.gz UZPGMNPMNUGQHF-INIZCTEOSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(Cl)cc1C ZINC000838624133 626502073 /nfs/dbraw/zinc/50/20/73/626502073.db2.gz ITFKDCLLVHRITO-UHFFFAOYSA-N 0 3 293.798 2.725 20 30 CFEDHN C#CCN(Cc1ccc2c(n1)CCC2)C1CCCC1 ZINC000838853733 626511051 /nfs/dbraw/zinc/51/10/51/626511051.db2.gz KRADHBJRQQAFHE-UHFFFAOYSA-N 0 3 254.377 2.948 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757694976 626558692 /nfs/dbraw/zinc/55/86/92/626558692.db2.gz AXUFONSCFSXMBL-CKYFFXLPSA-N 0 3 265.328 2.606 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NC2COC(C)(C)OC2)cc1 ZINC000757705023 626559269 /nfs/dbraw/zinc/55/92/69/626559269.db2.gz KYHXDSWPKQKQMF-CYBMUJFWSA-N 0 3 289.375 2.501 20 30 CFEDHN COc1ccc(N2CCC(NCC(C)(C)C#N)CC2)cc1 ZINC000757907506 626567205 /nfs/dbraw/zinc/56/72/05/626567205.db2.gz VDYGZPYWKBXDLJ-UHFFFAOYSA-N 0 3 287.407 2.803 20 30 CFEDHN C#CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000759429735 626657730 /nfs/dbraw/zinc/65/77/30/626657730.db2.gz ASYWSUJGYQLCDO-LLVKDONJSA-N 0 3 288.734 2.791 20 30 CFEDHN CCCCCCCCCN1CCc2nn[nH]c2C1 ZINC000759517907 626666787 /nfs/dbraw/zinc/66/67/87/626666787.db2.gz MSURNGZHRJMESB-UHFFFAOYSA-N 0 3 250.390 2.913 20 30 CFEDHN C#CCCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000759596245 626674413 /nfs/dbraw/zinc/67/44/13/626674413.db2.gz BCBNMGORKMPXAH-UHFFFAOYSA-N 0 3 289.375 2.838 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759816787 626693423 /nfs/dbraw/zinc/69/34/23/626693423.db2.gz ZUQDCPGAPMXQRM-VXGBXAGGSA-N 0 3 279.343 2.940 20 30 CFEDHN N#CC(C(=O)[C@H]1CC12CCC2)c1nc2ccccc2[nH]1 ZINC000759814672 626693583 /nfs/dbraw/zinc/69/35/83/626693583.db2.gz NLPKHAGCPRSJII-WDEREUQCSA-N 0 3 265.316 2.929 20 30 CFEDHN CCCCCCCC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000760210718 626720284 /nfs/dbraw/zinc/72/02/84/626720284.db2.gz ZPMGNRHNQVYIEA-KGLIPLIRSA-N 0 3 286.485 2.851 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cs2)CC1 ZINC000760278232 626728810 /nfs/dbraw/zinc/72/88/10/626728810.db2.gz BAJWQGTVOCQJRI-UHFFFAOYSA-N 0 3 284.812 2.782 20 30 CFEDHN CC(C)c1cccc(OCC(=O)C(C#N)c2ccncn2)c1 ZINC000760345122 626737513 /nfs/dbraw/zinc/73/75/13/626737513.db2.gz KHLPMEOAYJZUIY-OAHLLOKOSA-N 0 3 295.342 2.855 20 30 CFEDHN CC[C@H](OC1CCCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760355385 626738509 /nfs/dbraw/zinc/73/85/09/626738509.db2.gz BQFZHFMWOLABLP-ZFWWWQNUSA-N 0 3 287.363 2.781 20 30 CFEDHN C#CCOCCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000761108434 626806098 /nfs/dbraw/zinc/80/60/98/626806098.db2.gz MSDSCKZQXSEABA-UHFFFAOYSA-N 0 3 271.282 2.787 20 30 CFEDHN C#CCOCCN(C)Cc1cccc(OC(C)C)c1 ZINC000761115800 626807747 /nfs/dbraw/zinc/80/77/47/626807747.db2.gz YVIQDBQOBYQXFO-UHFFFAOYSA-N 0 3 261.365 2.555 20 30 CFEDHN CC1(C)CC(N=Nc2cnccn2)CN1Cc1ccccc1 ZINC000761252937 626819287 /nfs/dbraw/zinc/81/92/87/626819287.db2.gz IPLZEELJWUQVPY-UHFFFAOYSA-N 0 3 295.390 2.929 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(Cl)c(F)c2)CN1C ZINC000761812234 626860529 /nfs/dbraw/zinc/86/05/29/626860529.db2.gz JMXPKOCQKWAADB-MRVPVSSYSA-N 0 3 255.724 2.971 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)o1 ZINC000762619900 626926394 /nfs/dbraw/zinc/92/63/94/626926394.db2.gz XLLAEZAMEXZJMJ-JHJVBQTASA-N 0 3 280.418 2.620 20 30 CFEDHN C#CCN(Cc1ccccc1CN(CC#C)C1CC1)C1CC1 ZINC000763949993 627024652 /nfs/dbraw/zinc/02/46/52/627024652.db2.gz ODHPYGAFCVRVDB-UHFFFAOYSA-N 0 3 292.426 2.882 20 30 CFEDHN CCC1(CC)[C@H](NC[C@@H](C#N)CCC#N)C[C@H]1OC ZINC000764626781 627077477 /nfs/dbraw/zinc/07/74/77/627077477.db2.gz HYPLUTSHGZQULU-MGPQQGTHSA-N 0 3 263.385 2.613 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCc2cc(CC)[nH]n2)cc1 ZINC000765992255 627169989 /nfs/dbraw/zinc/16/99/89/627169989.db2.gz HZTGWNXJDQQHMC-CYBMUJFWSA-N 0 3 283.375 2.835 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)o1 ZINC000768980043 627392338 /nfs/dbraw/zinc/39/23/38/627392338.db2.gz FDOZJBPNSCDGMY-GASCZTMLSA-N 0 3 293.370 2.719 20 30 CFEDHN C#CCOc1ccccc1CN(CCCC)CCOC ZINC000769389957 627433344 /nfs/dbraw/zinc/43/33/44/627433344.db2.gz SCTQOQPFINZENH-UHFFFAOYSA-N 0 3 275.392 2.947 20 30 CFEDHN CCC1(O)CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000769485878 627446942 /nfs/dbraw/zinc/44/69/42/627446942.db2.gz PLCJYKQKHPQKMD-AWEZNQCLSA-N 0 3 288.391 2.714 20 30 CFEDHN Cc1[nH]cnc1C=NNc1c(F)cccc1Cl ZINC000769828554 627479803 /nfs/dbraw/zinc/47/98/03/627479803.db2.gz ITAXWZWTKMVEJA-UHFFFAOYSA-N 0 3 252.680 2.957 20 30 CFEDHN C#CCN(CC)CCOc1ccc(F)cc1Cl ZINC000769914444 627486969 /nfs/dbraw/zinc/48/69/69/627486969.db2.gz ZZBOWCAZMXOMPK-UHFFFAOYSA-N 0 3 255.720 2.813 20 30 CFEDHN COc1ccc(CNCc2ccc3c(c2)COC3)cc1C#N ZINC000769929027 627489118 /nfs/dbraw/zinc/48/91/18/627489118.db2.gz URIUESQMRZUSLA-UHFFFAOYSA-N 0 3 294.354 2.887 20 30 CFEDHN C#C[C@@H](C)N(C)CCOc1cccc(Br)c1 ZINC000769953086 627491048 /nfs/dbraw/zinc/49/10/48/627491048.db2.gz IMCVSFMMQSJHGT-LLVKDONJSA-N 0 3 282.181 2.781 20 30 CFEDHN CCCCCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000770001483 627495886 /nfs/dbraw/zinc/49/58/86/627495886.db2.gz NDUPLMREBVJWNQ-CQSZACIVSA-N 0 3 275.458 2.856 20 30 CFEDHN CCN1CC[C@@H](N(C)c2snc(Cl)c2C#N)C[C@@H]1C ZINC000771223664 627585949 /nfs/dbraw/zinc/58/59/49/627585949.db2.gz NQBPEKFVWXMCTA-VHSXEESVSA-N 0 3 298.843 2.977 20 30 CFEDHN C#CCSCCN[C@H](C)c1c(C)onc1CC ZINC000773011796 627768409 /nfs/dbraw/zinc/76/84/09/627768409.db2.gz WRGCTPMESYXYNI-SNVBAGLBSA-N 0 3 252.383 2.562 20 30 CFEDHN C=C(CC)CN(C)CCN(C)C(=O)OC(C)(C)C ZINC000773595803 627840457 /nfs/dbraw/zinc/84/04/57/627840457.db2.gz ARXJFEAPCPPQMD-UHFFFAOYSA-N 0 3 256.390 2.751 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774250756 627908622 /nfs/dbraw/zinc/90/86/22/627908622.db2.gz GKXANSPHAHQSHC-MNOVXSKESA-N 0 3 284.747 2.617 20 30 CFEDHN CN(C1CCCC1)C(C)(C)C(=O)OCCCSCC#N ZINC000805523728 627961227 /nfs/dbraw/zinc/96/12/27/627961227.db2.gz OWVNXKFYZXCXSA-UHFFFAOYSA-N 0 3 298.452 2.829 20 30 CFEDHN COCC#CCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000775548315 628036279 /nfs/dbraw/zinc/03/62/79/628036279.db2.gz OCBVJBMWBQCZPB-LLVKDONJSA-N 0 3 287.281 2.886 20 30 CFEDHN C#C[C@H](N[C@H]1CCc2c1cccc2C)[C@@H]1CCCO1 ZINC000775571674 628039518 /nfs/dbraw/zinc/03/95/18/628039518.db2.gz JDFTYPLDCITRBJ-ULQDDVLXSA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@H]1CCCc2cc(OC)ccc21)[C@@H]1CCCO1 ZINC000775573689 628041338 /nfs/dbraw/zinc/04/13/38/628041338.db2.gz JFPAHUGGUPUOEF-BZSNNMDCSA-N 0 3 285.387 2.843 20 30 CFEDHN C#CCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000775835808 628073758 /nfs/dbraw/zinc/07/37/58/628073758.db2.gz ARPLTNKUNSLMBO-KFWWJZLASA-N 0 3 277.408 2.985 20 30 CFEDHN CCc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000776159619 628108354 /nfs/dbraw/zinc/10/83/54/628108354.db2.gz YIGDRRVQNGKLEL-GFCCVEGCSA-N 0 3 284.363 2.725 20 30 CFEDHN CC(C)c1nc(C#N)c(N=NCc2cnccc2N(C)C)o1 ZINC000776180000 628112638 /nfs/dbraw/zinc/11/26/38/628112638.db2.gz IQWCQPLQAPJYES-UHFFFAOYSA-N 0 3 298.350 2.577 20 30 CFEDHN C#CCCN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000776594601 628162727 /nfs/dbraw/zinc/16/27/27/628162727.db2.gz PKKCAQYAXRDXGI-SFHVURJKSA-N 0 3 268.404 2.705 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776610713 628164910 /nfs/dbraw/zinc/16/49/10/628164910.db2.gz VWYMEDLBSVTLTP-UONOGXRCSA-N 0 3 280.412 2.730 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777439205 628225806 /nfs/dbraw/zinc/22/58/06/628225806.db2.gz WTVUWELQAMYVFP-SFHVURJKSA-N 0 3 296.345 2.791 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737266 628250369 /nfs/dbraw/zinc/25/03/69/628250369.db2.gz VSOSGQZCMHDBAB-BBRMVZONSA-N 0 3 261.340 2.521 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](C)COC ZINC000778165568 628282364 /nfs/dbraw/zinc/28/23/64/628282364.db2.gz SUIAJMJYYQXQBY-GFCCVEGCSA-N 0 3 281.783 2.724 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCCN1C ZINC000778163807 628282511 /nfs/dbraw/zinc/28/25/11/628282511.db2.gz IAMSNAYLZYJNAS-CYBMUJFWSA-N 0 3 292.810 2.536 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H](CC)CCO ZINC000778176729 628284186 /nfs/dbraw/zinc/28/41/86/628284186.db2.gz LUSCCCLCBOMCAL-CYBMUJFWSA-N 0 3 295.810 2.850 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H](CO)CC=C ZINC000778178753 628284350 /nfs/dbraw/zinc/28/43/50/628284350.db2.gz MFOZGMJUCHLELW-CYBMUJFWSA-N 0 3 293.794 2.626 20 30 CFEDHN C#CCOCCN(C)Cc1ccc(Br)cc1C ZINC000778224021 628289228 /nfs/dbraw/zinc/28/92/28/628289228.db2.gz PCANABMSMIPWRS-UHFFFAOYSA-N 0 3 296.208 2.839 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000852096827 634650495 /nfs/dbraw/zinc/65/04/95/634650495.db2.gz GFWMBQGOWIITBP-IIAWOOMASA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000852098512 634651970 /nfs/dbraw/zinc/65/19/70/634651970.db2.gz PABXNXHDLZAVAB-HDMKZQKVSA-N 0 3 286.419 2.686 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)c1ccccc1Cl ZINC000852097903 634652027 /nfs/dbraw/zinc/65/20/27/634652027.db2.gz ZXSMKWABEXHCPQ-MLGOLLRUSA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000852099347 634653161 /nfs/dbraw/zinc/65/31/61/634653161.db2.gz KHYUYLNSGHFZKU-MAUKXSAKSA-N 0 3 286.419 2.733 20 30 CFEDHN CCN(CC)c1ccc(C=NN[C@H]2CCCOC2)cc1 ZINC000780263107 628447681 /nfs/dbraw/zinc/44/76/81/628447681.db2.gz QWMRDLTWMJYEHP-HNNXBMFYSA-N 0 3 275.396 2.635 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CN2CCC(C)(C#N)CC2)c1 ZINC000780334600 628455849 /nfs/dbraw/zinc/45/58/49/628455849.db2.gz ZDJBCLFPUDHVNQ-INIZCTEOSA-N 0 3 272.392 2.963 20 30 CFEDHN CC(=NNCCN1CCCCC1)c1ccc(N)cc1Cl ZINC000782901831 628661957 /nfs/dbraw/zinc/66/19/57/628661957.db2.gz QVLGBEDNADLPHW-UHFFFAOYSA-N 0 3 294.830 2.722 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C2=CCCCC2)nc(C)n1 ZINC000783068873 628672426 /nfs/dbraw/zinc/67/24/26/628672426.db2.gz OHIWIGFQZMFREE-ZDUSSCGKSA-N 0 3 255.321 2.770 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1c2ccccc2CC[C@H]1C ZINC000783531699 628717730 /nfs/dbraw/zinc/71/77/30/628717730.db2.gz KXZLNDKKDGKHCP-CJNGLKHVSA-N 0 3 293.432 2.500 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CC(C)C)c1ccccc1 ZINC000783536253 628718865 /nfs/dbraw/zinc/71/88/65/628718865.db2.gz JTIAEQCWASYHKB-MRXNPFEDSA-N 0 3 295.448 2.964 20 30 CFEDHN C#CCCOc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000783600442 628726034 /nfs/dbraw/zinc/72/60/34/628726034.db2.gz ZJNZGUNEHPBYFO-UHFFFAOYSA-N 0 3 285.387 2.701 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000783727813 628738211 /nfs/dbraw/zinc/73/82/11/628738211.db2.gz FMQYNUKZNYWWKF-CZUORRHYSA-N 0 3 288.391 2.570 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)CN1C ZINC000783880793 628753001 /nfs/dbraw/zinc/75/30/01/628753001.db2.gz MXCICHARQSZDDQ-SECBINFHSA-N 0 3 262.744 2.704 20 30 CFEDHN C#CCOCCN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000852182595 634682621 /nfs/dbraw/zinc/68/26/21/634682621.db2.gz ZAPGOIQRRPAORA-OAHLLOKOSA-N 0 3 279.330 2.622 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC(F)F ZINC000852192975 634685138 /nfs/dbraw/zinc/68/51/38/634685138.db2.gz WJUARSYEGGPUOF-JTQLQIEISA-N 0 3 254.280 2.790 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785998003 628929015 /nfs/dbraw/zinc/92/90/15/628929015.db2.gz UKQQUYHORNUOSA-DZGCQCFKSA-N 0 3 276.336 2.669 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc(-n2ccnc2)nc1 ZINC000785999259 628929617 /nfs/dbraw/zinc/92/96/17/628929617.db2.gz SBWHOJCNOKBXAY-HNNXBMFYSA-N 0 3 268.364 2.808 20 30 CFEDHN CC(C)(C#N)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000786324586 628948283 /nfs/dbraw/zinc/94/82/83/628948283.db2.gz FEKZLUZBZMWGJF-SNVBAGLBSA-N 0 3 267.288 2.944 20 30 CFEDHN C=CCCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786879013 628982481 /nfs/dbraw/zinc/98/24/81/628982481.db2.gz IBMBFXXVWZGBFZ-CQSZACIVSA-N 0 3 251.370 2.903 20 30 CFEDHN C/C(C=Nn1c(C)nnc1C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787153257 628996549 /nfs/dbraw/zinc/99/65/49/628996549.db2.gz SOYNHXLUFZLRIH-QCGCWTKGSA-N 0 3 285.307 2.741 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000787997624 629047422 /nfs/dbraw/zinc/04/74/22/629047422.db2.gz MSEIXDNDOLUSNH-ZDUSSCGKSA-N 0 3 295.810 2.732 20 30 CFEDHN C#CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCCCC1 ZINC000788227247 629051958 /nfs/dbraw/zinc/05/19/58/629051958.db2.gz MKRFHPDFRMBEFT-HUUCEWRRSA-N 0 3 288.435 2.702 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@@H]1CCOC1 ZINC000788446817 629068637 /nfs/dbraw/zinc/06/86/37/629068637.db2.gz LCQDCJCLSSXTFV-XAQLWHBBSA-N 0 3 285.391 2.662 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CC[C@@H](O)C1 ZINC000788971605 629112189 /nfs/dbraw/zinc/11/21/89/629112189.db2.gz PIXRZCBGMSTEBB-CHWSQXEVSA-N 0 3 293.794 2.603 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000852303653 634715770 /nfs/dbraw/zinc/71/57/70/634715770.db2.gz VTPDXJQIHGZFKE-NEPJUHHUSA-N 0 3 292.345 2.780 20 30 CFEDHN N#C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805890568 629158090 /nfs/dbraw/zinc/15/80/90/629158090.db2.gz QSMJUDWRRXZOIP-QGZVFWFLSA-N 0 3 298.386 2.744 20 30 CFEDHN Cc1cc(CN=Nc2nccn2C)cc2cccnc12 ZINC000790302707 629228455 /nfs/dbraw/zinc/22/84/55/629228455.db2.gz XMWXVKLMGAUSRJ-UHFFFAOYSA-N 0 3 265.320 2.723 20 30 CFEDHN C=C[C@@](C)(CCOC)COC(=O)C1CCN(C2CC2)CC1 ZINC000805926318 629244588 /nfs/dbraw/zinc/24/45/88/629244588.db2.gz YKYAVHHEMPWLCO-KRWDZBQOSA-N 0 3 295.423 2.633 20 30 CFEDHN N#CC1CCC(COC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000805930354 629253665 /nfs/dbraw/zinc/25/36/65/629253665.db2.gz KSDCBOSVFKKGMC-UHFFFAOYSA-N 0 3 290.407 2.734 20 30 CFEDHN N#CC(C(=O)CCCC(=O)C1CC1)c1nc2ccccc2[nH]1 ZINC000835034980 629329442 /nfs/dbraw/zinc/32/94/42/629329442.db2.gz DCLIITXDRIKCTQ-GFCCVEGCSA-N 0 3 295.342 2.889 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835063233 629365965 /nfs/dbraw/zinc/36/59/65/629365965.db2.gz IXCUDQLLHMAMCE-GMTAPVOTSA-N 0 3 296.248 2.532 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CSC(F)F)c1 ZINC000835064932 629367394 /nfs/dbraw/zinc/36/73/94/629367394.db2.gz ZTDCFBLOZHBUFD-JTQLQIEISA-N 0 3 298.314 2.598 20 30 CFEDHN C=CCN(Cc1ccc(OCC#N)cc1)[C@@H](C)COC ZINC000852357388 634732545 /nfs/dbraw/zinc/73/25/45/634732545.db2.gz AALRLNJVGRYVAG-AWEZNQCLSA-N 0 3 274.364 2.612 20 30 CFEDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c([O-])c1 ZINC000793386426 629536103 /nfs/dbraw/zinc/53/61/03/629536103.db2.gz PWWSUVYVUDXHNI-DGCLKSJQSA-N 0 3 260.337 2.573 20 30 CFEDHN C#C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC000794050412 629611984 /nfs/dbraw/zinc/61/19/84/629611984.db2.gz HPPXNROEUSGQMC-CQSZACIVSA-N 0 3 290.794 2.615 20 30 CFEDHN C=C(C)CCON=Cc1ccc(N2CCOCC2)cc1 ZINC000795200339 629744265 /nfs/dbraw/zinc/74/42/65/629744265.db2.gz JKHDIVAFWADLJN-UHFFFAOYSA-N 0 3 274.364 2.840 20 30 CFEDHN C=CCN1CCCC[C@H]1COC(=O)NCCCC ZINC000796164420 629884866 /nfs/dbraw/zinc/88/48/66/629884866.db2.gz MTKPNRBGLHPSHR-ZDUSSCGKSA-N 0 3 254.374 2.553 20 30 CFEDHN N#CC(C(=O)CCC(F)F)c1nc2ccccc2[nH]1 ZINC000796617237 629941566 /nfs/dbraw/zinc/94/15/66/629941566.db2.gz AKPFTMDWBMJGRC-MRVPVSSYSA-N 0 3 263.247 2.784 20 30 CFEDHN CCC(=O)C(C#N)C(=O)Nc1c(CC)cccc1CC ZINC000796633883 629943885 /nfs/dbraw/zinc/94/38/85/629943885.db2.gz QDRHISNQCOLTLE-CYBMUJFWSA-N 0 3 272.348 2.869 20 30 CFEDHN C#CCCN(CCc1ccccn1)Cc1cccnc1 ZINC000797530216 630078124 /nfs/dbraw/zinc/07/81/24/630078124.db2.gz CFZUOGQTQGRXGG-UHFFFAOYSA-N 0 3 265.360 2.545 20 30 CFEDHN Cc1noc(C)c1CN(C)CCCC1(C#N)CCOCC1 ZINC000799110921 630275847 /nfs/dbraw/zinc/27/58/47/630275847.db2.gz JQNTUTQOWJNNSM-UHFFFAOYSA-N 0 3 291.395 2.824 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@](C)(CC)c2ccccc2)C1=O ZINC000799155199 630280633 /nfs/dbraw/zinc/28/06/33/630280633.db2.gz SVJMSVPALNMFON-WBVHZDCISA-N 0 3 272.392 2.688 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2ccccn2)C1 ZINC000799190146 630285986 /nfs/dbraw/zinc/28/59/86/630285986.db2.gz KYHRKNXTTLFVID-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000103639221 630306490 /nfs/dbraw/zinc/30/64/90/630306490.db2.gz HMOHXVLHWLPLNR-DZGCQCFKSA-N 0 3 286.375 2.804 20 30 CFEDHN Cc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1C#N ZINC000799728637 630340656 /nfs/dbraw/zinc/34/06/56/630340656.db2.gz DBTMUVTWNADBEI-UHFFFAOYSA-N 0 3 299.418 2.719 20 30 CFEDHN Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1C#N ZINC000799729523 630340781 /nfs/dbraw/zinc/34/07/81/630340781.db2.gz RKSXYXREBKXJPZ-QGZVFWFLSA-N 0 3 297.402 2.613 20 30 CFEDHN COc1cc(CN2CC[C@@H](c3ccccn3)C2)ccc1C#N ZINC000799734950 630341560 /nfs/dbraw/zinc/34/15/60/630341560.db2.gz HERZSOYZILNKGZ-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN N#C[C@H](OC(=O)C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000801872868 630483161 /nfs/dbraw/zinc/48/31/61/630483161.db2.gz GAPDLPOEQIRVJB-INIZCTEOSA-N 0 3 290.407 2.876 20 30 CFEDHN C#CCN[C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801957283 630494959 /nfs/dbraw/zinc/49/49/59/630494959.db2.gz HFMISTNOMNSXIF-HUUCEWRRSA-N 0 3 280.774 2.837 20 30 CFEDHN CCc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC(C)C ZINC000802042671 630499375 /nfs/dbraw/zinc/49/93/75/630499375.db2.gz VAHMBSVIQVTZJL-ARFHVFGLSA-N 0 3 298.386 2.586 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(Cl)c(OC)c1 ZINC000852748851 634822902 /nfs/dbraw/zinc/82/29/02/634822902.db2.gz IWBOUBCSYIWZDW-UHFFFAOYSA-N 0 3 281.783 2.820 20 30 CFEDHN C=CCNC(=S)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802721128 630540756 /nfs/dbraw/zinc/54/07/56/630540756.db2.gz PRVMEOPYXFTDMU-ZDUSSCGKSA-N 0 3 297.855 2.593 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OC)c(Cl)c1 ZINC000852751336 634824829 /nfs/dbraw/zinc/82/48/29/634824829.db2.gz YHBMDTRDAXXEAE-UHFFFAOYSA-N 0 3 281.783 2.820 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OCC)cc1 ZINC000852752004 634825838 /nfs/dbraw/zinc/82/58/38/634825838.db2.gz RDKSRYWMXGCWPF-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000807441242 630886476 /nfs/dbraw/zinc/88/64/76/630886476.db2.gz DGLAFXOQWVPNBB-VXGBXAGGSA-N 0 3 299.802 2.761 20 30 CFEDHN CN1CCc2cc(C=NNCC3CCCC3)ccc21 ZINC000808006504 630940129 /nfs/dbraw/zinc/94/01/29/630940129.db2.gz XSUNNQYWWQQGJL-UHFFFAOYSA-N 0 3 257.381 2.793 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(C)c2)CC1 ZINC000837169434 630967901 /nfs/dbraw/zinc/96/79/01/630967901.db2.gz QRFOJSFSRCUNER-HNNXBMFYSA-N 0 3 284.403 2.517 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000808445030 630993500 /nfs/dbraw/zinc/99/35/00/630993500.db2.gz MNMQTSSBSYRCCI-YVEFUNNKSA-N 0 3 284.334 2.909 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)C#CC2CC2)N2CCCC2)cc1 ZINC000837379139 631017274 /nfs/dbraw/zinc/01/72/74/631017274.db2.gz VASWRYVOTCITFF-SFHVURJKSA-N 0 3 296.414 2.662 20 30 CFEDHN C[C@@H](NCC(=O)NCCC#N)c1ccc(F)c2ccccc21 ZINC000808768950 631045522 /nfs/dbraw/zinc/04/55/22/631045522.db2.gz RRGWJBQTROKEFV-GFCCVEGCSA-N 0 3 299.349 2.659 20 30 CFEDHN Cc1ccc([C@@H]2CCCCCN2C[C@H](O)CC#N)o1 ZINC000809574420 631237775 /nfs/dbraw/zinc/23/77/75/631237775.db2.gz KRGVBHIEZVHMET-KGLIPLIRSA-N 0 3 262.353 2.780 20 30 CFEDHN CN(C[C@H](O)CC#N)C1c2ccccc2-c2ccccc21 ZINC000809575713 631238529 /nfs/dbraw/zinc/23/85/29/631238529.db2.gz BVQGUOUFBQWTLL-CYBMUJFWSA-N 0 3 278.355 2.963 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000809611422 631246133 /nfs/dbraw/zinc/24/61/33/631246133.db2.gz BSQUDWKRCCNSTK-KRWDZBQOSA-N 0 3 290.366 2.563 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000809683496 631261326 /nfs/dbraw/zinc/26/13/26/631261326.db2.gz DNTSKXPYFCQSTG-JTQLQIEISA-N 0 3 287.281 2.748 20 30 CFEDHN C#C[C@H](CC)NCc1ccc2c(c1)COC(C)(C)O2 ZINC000809686446 631262635 /nfs/dbraw/zinc/26/26/35/631262635.db2.gz SAHBAPKZVJYEPQ-CQSZACIVSA-N 0 3 259.349 2.833 20 30 CFEDHN C#C[C@@H](NCc1cccc(OCCCOC)c1)C(C)C ZINC000809685329 631262907 /nfs/dbraw/zinc/26/29/07/631262907.db2.gz NWROJDDUNWIMHI-QGZVFWFLSA-N 0 3 275.392 2.849 20 30 CFEDHN COc1cccc(O)c1CNCc1ccc(C#N)c(OC)c1 ZINC000810169691 631337854 /nfs/dbraw/zinc/33/78/54/631337854.db2.gz WSJWJXMEIYOJLP-UHFFFAOYSA-N 0 3 298.342 2.571 20 30 CFEDHN CN(CCOc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000841493134 631417298 /nfs/dbraw/zinc/41/72/98/631417298.db2.gz VMJKNPDLIFYOFY-GOSISDBHSA-N 0 3 296.370 2.602 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NOCCOC(C)C ZINC000841642081 631442251 /nfs/dbraw/zinc/44/22/51/631442251.db2.gz FRHNGRLYFAOPNQ-UHFFFAOYSA-N 0 3 264.369 2.837 20 30 CFEDHN C=CCCCCCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000841903650 631492242 /nfs/dbraw/zinc/49/22/42/631492242.db2.gz ZPIXYEBAIYHERB-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C[C@H](c1ccccn1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153718 631555081 /nfs/dbraw/zinc/55/50/81/631555081.db2.gz OUACXFFVNOOCPQ-CXAGYDPISA-N 0 3 281.359 2.680 20 30 CFEDHN CC(=NNC[C@H]1CCSC1)c1ccccc1N(C)C ZINC000811659704 631597960 /nfs/dbraw/zinc/59/79/60/631597960.db2.gz WUQGSYVKVVFNDG-CYBMUJFWSA-N 0 3 277.437 2.819 20 30 CFEDHN CN1CCN(c2ccc(C=NOC/C=C/Cl)cc2)CC1 ZINC000811669850 631603703 /nfs/dbraw/zinc/60/37/03/631603703.db2.gz KFFFSVNYLJGMRM-XQLIBSMOSA-N 0 3 293.798 2.541 20 30 CFEDHN C#CC[C@@H]1CCCN(Cn2nccc2-c2cccnc2)C1 ZINC000842630049 631686160 /nfs/dbraw/zinc/68/61/60/631686160.db2.gz WFNMLXQMZAYCFJ-OAHLLOKOSA-N 0 3 280.375 2.638 20 30 CFEDHN C=CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC000812895608 631802939 /nfs/dbraw/zinc/80/29/39/631802939.db2.gz GMZNBCZOMICREB-OAHLLOKOSA-N 0 3 270.392 2.622 20 30 CFEDHN CO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813219029 631882794 /nfs/dbraw/zinc/88/27/94/631882794.db2.gz VMNZSCJNYZZTGB-ZWNOBZJWSA-N 0 3 298.264 2.702 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000843423315 631951667 /nfs/dbraw/zinc/95/16/67/631951667.db2.gz CFCQMPJDUYAYKP-ZDUSSCGKSA-N 0 3 287.359 2.659 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC000843423919 631952976 /nfs/dbraw/zinc/95/29/76/631952976.db2.gz LQIGBMRJHBQTPM-CYBMUJFWSA-N 0 3 287.359 2.659 20 30 CFEDHN C#CC[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000843423934 631953493 /nfs/dbraw/zinc/95/34/93/631953493.db2.gz LZPQQJSOLBBGKG-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000843423934 631953494 /nfs/dbraw/zinc/95/34/94/631953494.db2.gz LZPQQJSOLBBGKG-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN CCCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CCN(C)C1 ZINC000843991091 632089014 /nfs/dbraw/zinc/08/90/14/632089014.db2.gz IGNJTTVMYHTTDU-XZVRFQMRSA-N 0 3 297.402 2.514 20 30 CFEDHN C#CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000843999822 632092040 /nfs/dbraw/zinc/09/20/40/632092040.db2.gz RXPFRBBATGWAAQ-OAHLLOKOSA-N 0 3 284.403 2.624 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844376147 632185403 /nfs/dbraw/zinc/18/54/03/632185403.db2.gz RWEQMKIKXJMNFG-HZPDHXFCSA-N 0 3 295.810 2.560 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000815015985 632187996 /nfs/dbraw/zinc/18/79/96/632187996.db2.gz QWDLFSMGHSIYLP-RYUDHWBXSA-N 0 3 274.355 2.577 20 30 CFEDHN C=CCC(F)(F)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000815667546 632309951 /nfs/dbraw/zinc/30/99/51/632309951.db2.gz OACCPOMOMBGQPL-UHFFFAOYSA-N 0 3 286.366 2.675 20 30 CFEDHN C#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000844963224 632347092 /nfs/dbraw/zinc/34/70/92/632347092.db2.gz IAFOUWMPRAKAPP-SFHVURJKSA-N 0 3 284.403 2.571 20 30 CFEDHN CCCCCCCCC(=O)[N-]OC1CC[NH+](C)CC1 ZINC000816532429 632479079 /nfs/dbraw/zinc/47/90/79/632479079.db2.gz GXXJXWYZLPPSRS-UHFFFAOYSA-N 0 3 270.417 2.879 20 30 CFEDHN C=CCC1(C(=O)OC[C@H]2CCN2C(C)(C)C)CCOCC1 ZINC000845727623 632535284 /nfs/dbraw/zinc/53/52/84/632535284.db2.gz CRZIRKGAAGOIGG-CQSZACIVSA-N 0 3 295.423 2.775 20 30 CFEDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(C#N)cc1 ZINC000845741708 632547482 /nfs/dbraw/zinc/54/74/82/632547482.db2.gz WXRADHLOPLGVML-AWEZNQCLSA-N 0 3 272.348 2.588 20 30 CFEDHN CC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000846951974 632857136 /nfs/dbraw/zinc/85/71/36/632857136.db2.gz UPDIVZOWFFZAMQ-LBPRGKRZSA-N 0 3 256.349 2.920 20 30 CFEDHN C#CCN(C)CCCNC(=O)/C=C(\CC)c1ccc(C)cc1 ZINC000818589161 632873685 /nfs/dbraw/zinc/87/36/85/632873685.db2.gz SIOOLFBHKZCQKH-BMRADRMJSA-N 0 3 298.430 2.860 20 30 CFEDHN C#CCN(C)CCCNC(=O)C=C1CCC(C)(C)CC1 ZINC000818588693 632873727 /nfs/dbraw/zinc/87/37/27/632873727.db2.gz BSWPHHAWGZVORS-UHFFFAOYSA-N 0 3 276.424 2.584 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000818599248 632875907 /nfs/dbraw/zinc/87/59/07/632875907.db2.gz FWUMGKGTFOLZDG-KRWDZBQOSA-N 0 3 298.430 2.568 20 30 CFEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000847027029 632892207 /nfs/dbraw/zinc/89/22/07/632892207.db2.gz JHHFQMAVPZKMNA-CAOSSQGBSA-N 0 3 276.424 2.510 20 30 CFEDHN C#C[C@@H]1CCCN(CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000847030892 632896047 /nfs/dbraw/zinc/89/60/47/632896047.db2.gz OQLOXNIHSKAGAZ-OAHLLOKOSA-N 0 3 298.386 2.563 20 30 CFEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCCc3occc32)cc1 ZINC000818947834 632913015 /nfs/dbraw/zinc/91/30/15/632913015.db2.gz SGAZWARZXUVMRH-JKSUJKDBSA-N 0 3 282.343 2.852 20 30 CFEDHN N#CCCNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000819001880 632926951 /nfs/dbraw/zinc/92/69/51/632926951.db2.gz GOTNHMPSCNRPND-UHFFFAOYSA-N 0 3 295.333 2.760 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCC#N)c1 ZINC000847624041 633011198 /nfs/dbraw/zinc/01/11/98/633011198.db2.gz QLZKSDFQRYVGMV-CQSZACIVSA-N 0 3 283.331 2.726 20 30 CFEDHN CCCCCCN(C)CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000848316253 633239761 /nfs/dbraw/zinc/23/97/61/633239761.db2.gz UXGIUBNKZHQAGP-UHFFFAOYSA-N 0 3 299.418 2.913 20 30 CFEDHN CCCCCCCCc1nnc(NC(=O)[C@H](C)NC)s1 ZINC000848395740 633248056 /nfs/dbraw/zinc/24/80/56/633248056.db2.gz GAMDGKAQDKYVBQ-NSHDSACASA-N 0 3 298.456 2.988 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000848397078 633248323 /nfs/dbraw/zinc/24/83/23/633248323.db2.gz ZJSBXDMDKATJCZ-AWEZNQCLSA-N 0 3 289.354 2.516 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848877080 633356734 /nfs/dbraw/zinc/35/67/34/633356734.db2.gz PGOIOANHSFAHRM-HJWRWDBZSA-N 0 3 263.337 2.864 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)cc2OC)C1 ZINC000848924222 633408048 /nfs/dbraw/zinc/40/80/48/633408048.db2.gz XVKOQRPLIGSTFG-CYBMUJFWSA-N 0 3 259.349 2.549 20 30 CFEDHN CN(C)C(=NCC1(C#N)CCCC1)NCc1ccccc1 ZINC000849046733 633479646 /nfs/dbraw/zinc/47/96/46/633479646.db2.gz KOUPMOUJVBWOCN-UHFFFAOYSA-N 0 3 284.407 2.778 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1occc1C ZINC000850752993 634079089 /nfs/dbraw/zinc/07/90/89/634079089.db2.gz WZXBMRPWBOUAMJ-ZDUSSCGKSA-N 0 3 290.363 2.536 20 30 CFEDHN C[C@@H](CC#N)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000850938173 634145772 /nfs/dbraw/zinc/14/57/72/634145772.db2.gz RKMLTXFNSURIQH-GOEBONIOSA-N 0 3 286.375 2.744 20 30 CFEDHN C#Cc1cccnc1NC[C@@H](c1ccsc1)N(C)C ZINC000853145388 634919731 /nfs/dbraw/zinc/91/97/31/634919731.db2.gz DDUMVXVTMOCNAY-AWEZNQCLSA-N 0 3 271.389 2.839 20 30 CFEDHN N#Cc1ncc(C(F)(F)F)cc1N[C@H]1CCN(C2CC2)C1 ZINC000853231020 634946706 /nfs/dbraw/zinc/94/67/06/634946706.db2.gz CSGLKFRHOYIGCT-JTQLQIEISA-N 0 3 296.296 2.621 20 30 CFEDHN C=C[C@@H](C)ON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853369195 634985084 /nfs/dbraw/zinc/98/50/84/634985084.db2.gz IJVNVLOCJLWOKM-CYBMUJFWSA-N 0 3 274.364 2.573 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C(=O)CC23CCCC3)C1 ZINC000853537466 635032026 /nfs/dbraw/zinc/03/20/26/635032026.db2.gz YMBXQOKRVOCSQC-CQSZACIVSA-N 0 3 262.397 2.777 20 30 CFEDHN CCCCCCCN1CCN(Cc2nccn2C)CC1 ZINC000158011011 650220881 /nfs/dbraw/zinc/22/08/81/650220881.db2.gz SVTJWVXEBWXTNY-UHFFFAOYSA-N 0 3 278.444 2.508 20 30 CFEDHN C=C(Cl)CN1CCN(C2CCC(C)CC2)CC1 ZINC000115740760 636092301 /nfs/dbraw/zinc/09/23/01/636092301.db2.gz WHDHXPPZVGARSY-UHFFFAOYSA-N 0 3 256.821 2.935 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1ccc(Br)o1 ZINC000858332275 636192723 /nfs/dbraw/zinc/19/27/23/636192723.db2.gz RIRYRPIRPHNQJJ-JTQLQIEISA-N 0 3 286.169 2.560 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000858333385 636192743 /nfs/dbraw/zinc/19/27/43/636192743.db2.gz DYYYVGQYPHPWTA-GFCCVEGCSA-N 0 3 296.754 2.766 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(OC(F)F)c(F)c1 ZINC000858334982 636195513 /nfs/dbraw/zinc/19/55/13/636195513.db2.gz JTTQZWHEVZLSHN-LLVKDONJSA-N 0 3 287.281 2.555 20 30 CFEDHN C#CC[C@H](COC)NCc1cnc(-c2ccccc2)s1 ZINC000858335219 636195626 /nfs/dbraw/zinc/19/56/26/636195626.db2.gz PBEIVHFADKSFBM-CQSZACIVSA-N 0 3 286.400 2.938 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(Cl)c(C)c1 ZINC000858335189 636195630 /nfs/dbraw/zinc/19/56/30/636195630.db2.gz NKNJHEGGOVZLBA-CYBMUJFWSA-N 0 3 251.757 2.776 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(OCCC)c(OC)c1 ZINC000858336025 636197128 /nfs/dbraw/zinc/19/71/28/636197128.db2.gz SBAGKFGJEUBQMZ-OAHLLOKOSA-N 0 3 291.391 2.612 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001015662463 651208311 /nfs/dbraw/zinc/20/83/11/651208311.db2.gz LNTBGCWWKCAYFN-LLVKDONJSA-N 0 3 282.771 2.703 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCOCC1 ZINC000117531582 636896277 /nfs/dbraw/zinc/89/62/77/636896277.db2.gz YTJALNNCLYXDAD-ZDUSSCGKSA-N 0 3 297.358 2.566 20 30 CFEDHN Cc1ccccc1CO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000860657640 636939538 /nfs/dbraw/zinc/93/95/38/636939538.db2.gz ZJDRDQHDLHCTGP-UKRRQHHQSA-N 0 3 295.342 2.567 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000862394245 637353795 /nfs/dbraw/zinc/35/37/95/637353795.db2.gz FXDWTEXSVHLGNS-INIZCTEOSA-N 0 3 284.419 2.917 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)CN(C)CCCCCC)C1 ZINC000862543299 637417089 /nfs/dbraw/zinc/41/70/89/637417089.db2.gz GFVAIEFOZCDJKX-OAHLLOKOSA-N 0 3 266.429 2.923 20 30 CFEDHN CC[C@H](C#N)Oc1cccc(CNCc2cccn2C)c1 ZINC000119267743 637552587 /nfs/dbraw/zinc/55/25/87/637552587.db2.gz NCXSDYYGHFXVFY-MRXNPFEDSA-N 0 3 283.375 2.996 20 30 CFEDHN CC(=NNCC(C)(C)O)c1ccc(N2CCCCC2)cc1 ZINC000863140039 637569431 /nfs/dbraw/zinc/56/94/31/637569431.db2.gz BUTBKKSJDKXTSP-UHFFFAOYSA-N 0 3 289.423 2.761 20 30 CFEDHN Cc1cc(NN=Cc2cnc([C@@H]3CCCO3)s2)ccn1 ZINC000863159362 637574452 /nfs/dbraw/zinc/57/44/52/637574452.db2.gz NQAPFIGEFAFNLN-ZDUSSCGKSA-N 0 3 288.376 2.566 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1cnn(C(C)C)c1C ZINC000863159493 637574584 /nfs/dbraw/zinc/57/45/84/637574584.db2.gz UBHHTZDPLWYHLI-UHFFFAOYSA-N 0 3 271.368 2.734 20 30 CFEDHN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000119552026 637708513 /nfs/dbraw/zinc/70/85/13/637708513.db2.gz BPBQYGQDIRMKTA-OAHLLOKOSA-N 0 3 298.386 2.686 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H](C)CC(=O)OC)c([O-])c1 ZINC000864348125 637948930 /nfs/dbraw/zinc/94/89/30/637948930.db2.gz FNIUSDMVBFZQMB-ZSAINHDTSA-N 0 3 292.379 2.609 20 30 CFEDHN C=CCOCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000076843208 650406818 /nfs/dbraw/zinc/40/68/18/650406818.db2.gz JKRXOXCBIMSUKM-GFCCVEGCSA-N 0 3 284.315 2.987 20 30 CFEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccc(=O)[nH]c2)c1 ZINC000865462789 638352098 /nfs/dbraw/zinc/35/20/98/638352098.db2.gz BDXDOMBRCGCWCA-HNNXBMFYSA-N 0 3 297.358 2.758 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccnc1Br ZINC000865607861 638455710 /nfs/dbraw/zinc/45/57/10/638455710.db2.gz AFRIJSLPAZZQJC-JQWIXIFHSA-N 0 3 297.196 2.525 20 30 CFEDHN C#CC[C@@H](COC)NCc1cccc(OC(C)(C)C)c1 ZINC000865646583 638485352 /nfs/dbraw/zinc/48/53/52/638485352.db2.gz WOSMSHSQBZBQDJ-HNNXBMFYSA-N 0 3 275.392 2.992 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1csc([N+](=O)[O-])c1)C2 ZINC000865848555 638611253 /nfs/dbraw/zinc/61/12/53/638611253.db2.gz OMQVXMUQCPKNTR-AWEZNQCLSA-N 0 3 299.355 2.785 20 30 CFEDHN Cc1ccc(NC(=O)c2coc(C#N)c2)c(CN(C)C)c1 ZINC000865863430 638623960 /nfs/dbraw/zinc/62/39/60/638623960.db2.gz FCZGHRKDFXCARD-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN CCc1ccc([C@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121738159 638889408 /nfs/dbraw/zinc/88/94/08/638889408.db2.gz CQRZJXPTHNOTFG-WBMJQRKESA-N 0 3 298.386 2.730 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867989175 638912268 /nfs/dbraw/zinc/91/22/68/638912268.db2.gz DBKJLXALFUNFTF-SWLSCSKDSA-N 0 3 288.391 2.793 20 30 CFEDHN N#Cc1c[nH]c2cc(C(=O)OCCN3CCCCC3)ccc12 ZINC000869849934 639429823 /nfs/dbraw/zinc/42/98/23/639429823.db2.gz UQXIQPABZZRIRS-UHFFFAOYSA-N 0 3 297.358 2.682 20 30 CFEDHN C=CCOCCN[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871881253 641497374 /nfs/dbraw/zinc/49/73/74/641497374.db2.gz NJORTVKAFYBOCL-OAHLLOKOSA-N 0 3 276.380 2.504 20 30 CFEDHN C=CCOCCN[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871881144 641497444 /nfs/dbraw/zinc/49/74/44/641497444.db2.gz KHHWTEIDABIMAB-INIZCTEOSA-N 0 3 290.407 2.529 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871886542 641502650 /nfs/dbraw/zinc/50/26/50/641502650.db2.gz OGLPHUWKWVSMNB-OAGGEKHMSA-N 0 3 288.391 2.645 20 30 CFEDHN C=CC(C)(C)CCCN[C@@H](C(N)=O)c1ccccc1 ZINC000871929823 641515033 /nfs/dbraw/zinc/51/50/33/641515033.db2.gz BQIHZQQVJPBETI-CQSZACIVSA-N 0 3 260.381 2.795 20 30 CFEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)c1ccccn1 ZINC000123954295 641627981 /nfs/dbraw/zinc/62/79/81/641627981.db2.gz QWAVHGVVXDVUAW-GFCCVEGCSA-N 0 3 296.330 2.541 20 30 CFEDHN C[C@H]1C(N=Nc2cccc3ncccc23)CCN1C ZINC000872341658 641759513 /nfs/dbraw/zinc/75/95/13/641759513.db2.gz GMEZFNGTRRSEKE-NSHDSACASA-N 0 3 254.337 2.727 20 30 CFEDHN C[C@H]1C(N=Nc2cccc3cnccc32)CCN1C ZINC000872351099 641762892 /nfs/dbraw/zinc/76/28/92/641762892.db2.gz OEUGJAWOMRQDPH-NSHDSACASA-N 0 3 254.337 2.727 20 30 CFEDHN CCNc1ccccc1C=NNC[C@H]1CCSC1 ZINC000872374585 641778733 /nfs/dbraw/zinc/77/87/33/641778733.db2.gz DJGURCPPTHKMIJ-GFCCVEGCSA-N 0 3 263.410 2.795 20 30 CFEDHN Cc1c(Cl)cnc(N2CC[C@H]3[C@H]2CCCN3C)c1C#N ZINC000872779067 641933650 /nfs/dbraw/zinc/93/36/50/641933650.db2.gz DQMCVJQENNIQON-UONOGXRCSA-N 0 3 290.798 2.588 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC[C@H]2C=CCC2)CC1 ZINC000872903070 641959823 /nfs/dbraw/zinc/95/98/23/641959823.db2.gz SRMDWZVTOIBYCO-HNNXBMFYSA-N 0 3 291.439 2.682 20 30 CFEDHN C=C(C)COCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873079394 642007194 /nfs/dbraw/zinc/00/71/94/642007194.db2.gz WYNUOHWPZCEIES-UHFFFAOYSA-N 0 3 278.352 2.894 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cc3n(n2)CCCC3)CC1 ZINC000873198167 642062285 /nfs/dbraw/zinc/06/22/85/642062285.db2.gz VLURFQWYUOOJCW-HDJSIYSDSA-N 0 3 257.381 2.501 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](CC)CCC)CC1 ZINC000874436908 642384595 /nfs/dbraw/zinc/38/45/95/642384595.db2.gz XKHDFQIFPLLCDK-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CCCCCCCNC(=O)N1CCCN(CC)CC1 ZINC000875764189 642682756 /nfs/dbraw/zinc/68/27/56/642682756.db2.gz CGYZWWYROPMDFG-UHFFFAOYSA-N 0 3 269.433 2.694 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000876321952 642824534 /nfs/dbraw/zinc/82/45/34/642824534.db2.gz BEFWJNQFPAAYOB-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000876553816 642919370 /nfs/dbraw/zinc/91/93/70/642919370.db2.gz ZINQWDKPCZACOZ-CQSZACIVSA-N 0 3 280.799 2.677 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc(C(C)C)cs1 ZINC000876568009 642927653 /nfs/dbraw/zinc/92/76/53/642927653.db2.gz CWEXSDUIYZYRDX-QMMMGPOBSA-N 0 3 273.789 2.675 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000876575697 642930374 /nfs/dbraw/zinc/93/03/74/642930374.db2.gz PHVJZGTULALUFR-AAEUAGOBSA-N 0 3 266.772 2.642 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1OC(C)C ZINC000876578603 642932139 /nfs/dbraw/zinc/93/21/39/642932139.db2.gz ULHBLTWNWHCTJZ-ZDUSSCGKSA-N 0 3 296.798 2.560 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCCC)cc1 ZINC000876585054 642934118 /nfs/dbraw/zinc/93/41/18/642934118.db2.gz XGPMMXYJNITQHH-CQSZACIVSA-N 0 3 296.798 2.562 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC1CCCCC1 ZINC000876593648 642938248 /nfs/dbraw/zinc/93/82/48/642938248.db2.gz OZHFJPLXNFQQKR-GFCCVEGCSA-N 0 3 258.793 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000876597813 642939990 /nfs/dbraw/zinc/93/99/90/642939990.db2.gz UEBKFBGPQXZJNK-ZFWWWQNUSA-N 0 3 292.810 2.693 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](N)CC(=C)Cl ZINC000876600318 642941116 /nfs/dbraw/zinc/94/11/16/642941116.db2.gz OYFBEOCGCYFJER-AWEZNQCLSA-N 0 3 278.783 2.671 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000876630165 642950465 /nfs/dbraw/zinc/95/04/65/642950465.db2.gz ZWOUKCXLOASIOW-RYUDHWBXSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1cccc(C)c1 ZINC000876627275 642950542 /nfs/dbraw/zinc/95/05/42/642950542.db2.gz FGTCJIBEEVLIAU-AWEZNQCLSA-N 0 3 294.826 2.859 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(COCC)c1 ZINC000876642060 642955495 /nfs/dbraw/zinc/95/54/95/642955495.db2.gz RAKKXLRMEKAAAD-CYBMUJFWSA-N 0 3 282.771 2.632 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000876661586 642962625 /nfs/dbraw/zinc/96/26/25/642962625.db2.gz GFYPDLXFOLBOIH-GWCFXTLKSA-N 0 3 296.773 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000876671771 642966650 /nfs/dbraw/zinc/96/66/50/642966650.db2.gz QCODJIQAUZQRGH-TUAOUCFPSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000876673552 642967388 /nfs/dbraw/zinc/96/73/88/642967388.db2.gz YSHFEQRUGHPVDV-NSHDSACASA-N 0 3 296.802 2.866 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(OCC)cc1 ZINC000876674427 642968598 /nfs/dbraw/zinc/96/85/98/642968598.db2.gz KBXPEDWYYJPOJB-ZDUSSCGKSA-N 0 3 282.771 2.518 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000876686397 642972748 /nfs/dbraw/zinc/97/27/48/642972748.db2.gz WWTFAHCALYIKFZ-HIFRSBDPSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1SCC ZINC000876688934 642973720 /nfs/dbraw/zinc/97/37/20/642973720.db2.gz PRWGUEWXHXJTHU-SRVKXCTJSA-N 0 3 290.860 2.637 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1SCC ZINC000876688935 642973936 /nfs/dbraw/zinc/97/39/36/642973936.db2.gz PRWGUEWXHXJTHU-TUAOUCFPSA-N 0 3 290.860 2.637 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1CCC ZINC000876689562 642974932 /nfs/dbraw/zinc/97/49/32/642974932.db2.gz GEQBKRTVYIMIQT-WCFLWFBJSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ncccc1C)C(C)C ZINC000876765793 643002087 /nfs/dbraw/zinc/00/20/87/643002087.db2.gz XYBVAXUBUHYHIO-OLZOCXBDSA-N 0 3 295.814 2.673 20 30 CFEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1C#N ZINC000087823761 650805921 /nfs/dbraw/zinc/80/59/21/650805921.db2.gz BUJFCFBKYXTTOY-UHFFFAOYSA-N 0 3 277.327 2.728 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC000876882337 643050104 /nfs/dbraw/zinc/05/01/04/643050104.db2.gz GOUDNUOFMVJXAU-DLOVCJGASA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(C)oc2ccccc21 ZINC000876900991 643057088 /nfs/dbraw/zinc/05/70/88/643057088.db2.gz WCJSAHUHJQYPDP-ZDUSSCGKSA-N 0 3 292.766 2.827 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000876909672 643061067 /nfs/dbraw/zinc/06/10/67/643061067.db2.gz FCKYOHWRQIRQCU-CQSZACIVSA-N 0 3 296.798 2.907 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000876938935 643073014 /nfs/dbraw/zinc/07/30/14/643073014.db2.gz BVEXHDNVJIGCLF-ZFWWWQNUSA-N 0 3 282.815 2.805 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CC(=C)Cl ZINC000876956849 643079689 /nfs/dbraw/zinc/07/96/89/643079689.db2.gz PDHBBWCCCUYYCM-AGIUHOORSA-N 0 3 270.804 2.707 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000876957121 643079897 /nfs/dbraw/zinc/07/98/97/643079897.db2.gz URVFDOCYCLZJSD-LSDHHAIUSA-N 0 3 292.810 2.863 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)Cc1ccc(F)cc1 ZINC000876960391 643082432 /nfs/dbraw/zinc/08/24/32/643082432.db2.gz XXIKUGKGXKUVDL-KGLIPLIRSA-N 0 3 298.789 2.733 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccc(F)cc1C ZINC000876959233 643082713 /nfs/dbraw/zinc/08/27/13/643082713.db2.gz QMFBYWKGHUJVHX-RISCZKNCSA-N 0 3 298.789 2.651 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccc(C)cc1 ZINC000876963981 643084937 /nfs/dbraw/zinc/08/49/37/643084937.db2.gz NWCXFSOVNCMGNX-CQSZACIVSA-N 0 3 280.799 2.813 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCc2c(C)cccc21 ZINC000876977462 643090627 /nfs/dbraw/zinc/09/06/27/643090627.db2.gz YOGNYGSJTGFRFJ-HUUCEWRRSA-N 0 3 292.810 2.959 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H](CO)C2CCCCC2)c1 ZINC000877067901 643132323 /nfs/dbraw/zinc/13/23/23/643132323.db2.gz NWCNVCNHZHQUCC-AWEZNQCLSA-N 0 3 293.798 2.637 20 30 CFEDHN CS[C@@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877067358 643132481 /nfs/dbraw/zinc/13/24/81/643132481.db2.gz CJEDOMVIIGCJKF-NWDGAFQWSA-N 0 3 281.812 2.980 20 30 CFEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@H]1CC1(F)F ZINC000877069245 643133049 /nfs/dbraw/zinc/13/30/49/643133049.db2.gz YQAYDHYZGKVXBX-LDYMZIIASA-N 0 3 254.255 2.831 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877069289 643133309 /nfs/dbraw/zinc/13/33/09/643133309.db2.gz ZQULMYHDERIBGH-IUODEOHRSA-N 0 3 293.798 2.900 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC2(CCO)CCCCC2)c1 ZINC000877081589 643140641 /nfs/dbraw/zinc/14/06/41/643140641.db2.gz QFVJADYPGNRFHQ-UHFFFAOYSA-N 0 3 293.798 2.782 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000877303414 643226137 /nfs/dbraw/zinc/22/61/37/643226137.db2.gz GFBGNGITQOQJHM-HNNXBMFYSA-N 0 3 274.408 2.665 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000877304247 643227580 /nfs/dbraw/zinc/22/75/80/643227580.db2.gz WXYWMZLISRUEKV-MRXNPFEDSA-N 0 3 286.419 2.982 20 30 CFEDHN CC(C)(C)OC(=O)NCC1(CNCC(C)(C)C#N)CCC1 ZINC000877322937 643237907 /nfs/dbraw/zinc/23/79/07/643237907.db2.gz GUDZCAPJQJSUSR-UHFFFAOYSA-N 0 3 295.427 2.821 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(Cl)cs1 ZINC000877496089 643309065 /nfs/dbraw/zinc/30/90/65/643309065.db2.gz MMXXXFQLDYOXHY-JOYOIKCWSA-N 0 3 272.801 2.867 20 30 CFEDHN C#C[C@@H](NCc1ccccc1OCCCCO)C(C)C ZINC000877512898 643319430 /nfs/dbraw/zinc/31/94/30/643319430.db2.gz FLVNWWGBIXJOER-MRXNPFEDSA-N 0 3 275.392 2.585 20 30 CFEDHN C#C[C@@H](NCc1cccc(NC(C)=O)c1)C(C)(C)C ZINC000877534371 643337092 /nfs/dbraw/zinc/33/70/92/643337092.db2.gz GYRHOJJSZZIRQB-OAHLLOKOSA-N 0 3 258.365 2.783 20 30 CFEDHN C[C@]1(CNCc2cccc(C#N)n2)CC1(Cl)Cl ZINC000877564428 643363795 /nfs/dbraw/zinc/36/37/95/643363795.db2.gz AIDCOYMXERALLH-LLVKDONJSA-N 0 3 270.163 2.627 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@H]2C2CC2)c1 ZINC000877574935 643372771 /nfs/dbraw/zinc/37/27/71/643372771.db2.gz ZUGYPIIZQOHSOC-AAEUAGOBSA-N 0 3 261.756 2.742 20 30 CFEDHN Cc1ccc(CCNCc2cc(C#N)cnc2Cl)nc1 ZINC000877577796 643375615 /nfs/dbraw/zinc/37/56/15/643375615.db2.gz JTYDLIUFPZYTQQ-UHFFFAOYSA-N 0 3 286.766 2.642 20 30 CFEDHN CC(C)O[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877603444 643390390 /nfs/dbraw/zinc/39/03/90/643390390.db2.gz NIBQRHGRCQKOCC-MRXNPFEDSA-N 0 3 287.407 2.624 20 30 CFEDHN COCC1(CCNCc2cc(C#N)cnc2Cl)CC1 ZINC000877603826 643391587 /nfs/dbraw/zinc/39/15/87/643391587.db2.gz DMIANSSPEDMPCF-UHFFFAOYSA-N 0 3 279.771 2.513 20 30 CFEDHN CCN(CCSC)Cc1cc(C#N)ccc1N(C)C ZINC000877608730 643395744 /nfs/dbraw/zinc/39/57/44/643395744.db2.gz WBWIWGFDDVQJSU-UHFFFAOYSA-N 0 3 277.437 2.809 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccccn1 ZINC000877621342 643407559 /nfs/dbraw/zinc/40/75/59/643407559.db2.gz UQMBHQIFAZRFQM-NSHDSACASA-N 0 3 286.766 2.895 20 30 CFEDHN COC(C)(C)CCNCc1cc(C#N)cnc1Cl ZINC000877707985 643474630 /nfs/dbraw/zinc/47/46/30/643474630.db2.gz VQGIKOGBPLYOFM-UHFFFAOYSA-N 0 3 267.760 2.511 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@H]3C2)s1 ZINC000877740040 643508312 /nfs/dbraw/zinc/50/83/12/643508312.db2.gz QXMZYIBSXRZOQL-WDEREUQCSA-N 0 3 264.419 2.805 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(C(C)(C)O)CC1 ZINC000877754546 643534294 /nfs/dbraw/zinc/53/42/94/643534294.db2.gz KEADBWKATSYGDZ-UHFFFAOYSA-N 0 3 287.403 2.682 20 30 CFEDHN CC(C)(O)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000877796327 643563297 /nfs/dbraw/zinc/56/32/97/643563297.db2.gz CZKHANYNARLADG-LBPRGKRZSA-N 0 3 264.394 2.603 20 30 CFEDHN C#CCN(Cc1cc[nH]c(=O)c1)[C@H]1CCc2ccccc21 ZINC000877991817 643683557 /nfs/dbraw/zinc/68/35/57/643683557.db2.gz UHMFEPVIMFTJPE-KRWDZBQOSA-N 0 3 278.355 2.910 20 30 CFEDHN C#CCCCCCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000878371012 643861897 /nfs/dbraw/zinc/86/18/97/643861897.db2.gz FFNJBTJREDQAPP-INIZCTEOSA-N 0 3 293.432 2.556 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001007245486 650873990 /nfs/dbraw/zinc/87/39/90/650873990.db2.gz ZWDDEVPPWPBDNU-ZDUSSCGKSA-N 0 3 276.380 2.612 20 30 CFEDHN C=CCCN(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878490305 643915253 /nfs/dbraw/zinc/91/52/53/643915253.db2.gz HIWXGGFUDIASDM-QGZVFWFLSA-N 0 3 270.376 2.935 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCSC(C)(C)C)C1=O ZINC000878550597 643938075 /nfs/dbraw/zinc/93/80/75/643938075.db2.gz ZDTLGURGXKWAHR-CYBMUJFWSA-N 0 3 284.469 2.627 20 30 CFEDHN C#CCCCCCN(CCNC(C)=O)Cc1ccsc1 ZINC000878561474 643941752 /nfs/dbraw/zinc/94/17/52/643941752.db2.gz NZTXSQUHWVKLQU-UHFFFAOYSA-N 0 3 292.448 2.880 20 30 CFEDHN C[C@@H]1CN(CCCSC(C)(C)C)C[C@H](C)N1CC#N ZINC000878771061 644021501 /nfs/dbraw/zinc/02/15/01/644021501.db2.gz BCPKOUGXBNHSGX-OKILXGFUSA-N 0 3 283.485 2.826 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)nc1 ZINC000879241621 644187257 /nfs/dbraw/zinc/18/72/57/644187257.db2.gz AMJFHNGUMWKNLH-QZTJIDSGSA-N 0 3 293.370 2.651 20 30 CFEDHN Cc1cccc(C(=O)NC2CCN([C@H](C)CCC#N)CC2)c1 ZINC000879350931 644241134 /nfs/dbraw/zinc/24/11/34/644241134.db2.gz WCICJMOXXLZWEE-OAHLLOKOSA-N 0 3 299.418 2.882 20 30 CFEDHN COc1cccc([C@H]2CN(CCC(C)(C)C#N)CCN2)c1 ZINC000879522292 644302453 /nfs/dbraw/zinc/30/24/53/644302453.db2.gz HIVYCQSWPLIWOR-MRXNPFEDSA-N 0 3 287.407 2.581 20 30 CFEDHN CC(C)(O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000880145425 644553398 /nfs/dbraw/zinc/55/33/98/644553398.db2.gz GIYWUHOHJLRRJK-CQSZACIVSA-N 0 3 277.795 2.784 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CF)C1 ZINC000880232384 644593418 /nfs/dbraw/zinc/59/34/18/644593418.db2.gz LQXGVPYOQVCBLZ-CQSZACIVSA-N 0 3 292.354 2.627 20 30 CFEDHN C#CCC1(O)CCN(CCOc2cccc(Cl)c2)CC1 ZINC000880476802 644729705 /nfs/dbraw/zinc/72/97/05/644729705.db2.gz GKOLCSWRACVBDX-UHFFFAOYSA-N 0 3 293.794 2.569 20 30 CFEDHN C#CCC1(O)CCN([C@@H](C)c2ccccc2F)CC1 ZINC000880479330 644730243 /nfs/dbraw/zinc/73/02/43/644730243.db2.gz UCSRXINQOCTDBN-ZDUSSCGKSA-N 0 3 261.340 2.737 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc(OCCC)cc2)CC1 ZINC000880481021 644730858 /nfs/dbraw/zinc/73/08/58/644730858.db2.gz KYJJLMQBKNQRRP-UHFFFAOYSA-N 0 3 287.403 2.826 20 30 CFEDHN CCC(C)(C)N1CCN(c2ccc(C)nc2C#N)CC1 ZINC000882546145 645364217 /nfs/dbraw/zinc/36/42/17/645364217.db2.gz XUIHMSOWFXFYST-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000130667305 645546040 /nfs/dbraw/zinc/54/60/40/645546040.db2.gz SDXUXXBLEDDMPO-UHFFFAOYSA-N 0 3 298.430 2.616 20 30 CFEDHN C=CCC[C@@H](NCc1cc(CC)no1)[C@H]1CCCO1 ZINC000883192322 645654275 /nfs/dbraw/zinc/65/42/75/645654275.db2.gz WTEMYGXHNPNIKM-HUUCEWRRSA-N 0 3 264.369 2.840 20 30 CFEDHN C=CCC[C@H](N[C@@H](CCO)c1ccco1)[C@@H]1CCCO1 ZINC000883216521 645669680 /nfs/dbraw/zinc/66/96/80/645669680.db2.gz RHUVCBZRYYAAMU-KKUMJFAQSA-N 0 3 279.380 2.807 20 30 CFEDHN C=CCC[C@H](NCc1cnc(CC)o1)[C@@H]1CCCO1 ZINC000883227123 645677124 /nfs/dbraw/zinc/67/71/24/645677124.db2.gz LNPKAWUYSZXEMA-KBPBESRZSA-N 0 3 264.369 2.840 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H]1CCc2ccc(Cl)nc21 ZINC000883391183 645790146 /nfs/dbraw/zinc/79/01/46/645790146.db2.gz FCWHSWUCQHMNAR-RYUDHWBXSA-N 0 3 266.772 2.639 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000883392059 645791251 /nfs/dbraw/zinc/79/12/51/645791251.db2.gz ZFPUIBOLEHUBAQ-LOWVWBTDSA-N 0 3 279.355 2.996 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000883392055 645791536 /nfs/dbraw/zinc/79/15/36/645791536.db2.gz ZFJHHXZXGWPOFV-DGCLKSJQSA-N 0 3 262.328 2.675 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000883392060 645791603 /nfs/dbraw/zinc/79/16/03/645791603.db2.gz ZFPUIBOLEHUBAQ-NQBHXWOUSA-N 0 3 279.355 2.996 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccncc1Cl ZINC000883392935 645791988 /nfs/dbraw/zinc/79/19/88/645791988.db2.gz RJHIUQNJUHTQSZ-MNOVXSKESA-N 0 3 254.761 2.713 20 30 CFEDHN C=CCCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000132534786 645929968 /nfs/dbraw/zinc/92/99/68/645929968.db2.gz KYHPZBCXJMHQOI-HNNXBMFYSA-N 0 3 274.364 2.674 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(F)cc2F)CC1 ZINC001006356891 646004079 /nfs/dbraw/zinc/00/40/79/646004079.db2.gz IHTFMFNANADZCH-UHFFFAOYSA-N 0 3 294.345 2.687 20 30 CFEDHN CCCC[C@H](CCC)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884168039 646248812 /nfs/dbraw/zinc/24/88/12/646248812.db2.gz WFYRVZPTHJLSTL-DGNOSDGRSA-N 0 3 291.439 2.601 20 30 CFEDHN CCCC[C@H](CCC)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884168040 646249309 /nfs/dbraw/zinc/24/93/09/646249309.db2.gz WFYRVZPTHJLSTL-GWUWNPHMSA-N 0 3 291.439 2.601 20 30 CFEDHN CC(=NN[C@H](CO)c1ccccc1)c1c(C)cc(N)cc1C ZINC000884458074 646368778 /nfs/dbraw/zinc/36/87/78/646368778.db2.gz WEKMHAXKOJNGNH-QGZVFWFLSA-N 0 3 297.402 2.933 20 30 CFEDHN N#CC(C(=O)CC1CCSCC1)c1ccccn1 ZINC000134974684 646422362 /nfs/dbraw/zinc/42/23/62/646422362.db2.gz JQKNQEFPOLBDHI-GFCCVEGCSA-N 0 3 260.362 2.791 20 30 CFEDHN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)C(C)C#N)C1 ZINC000884779938 646549886 /nfs/dbraw/zinc/54/98/86/646549886.db2.gz OSTRGIRJNMYXFT-BLLLJJGKSA-N 0 3 294.395 2.507 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC=C(c3ccccn3)C2)CCC1 ZINC000886217852 646925674 /nfs/dbraw/zinc/92/56/74/646925674.db2.gz IYVAIXBBTFGKMH-INIZCTEOSA-N 0 3 297.402 2.616 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000886356143 646984078 /nfs/dbraw/zinc/98/40/78/646984078.db2.gz USRSGNPIPWZCEU-BRWVUGGUSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(C(=O)OC)sc2C)C1 ZINC000886360657 646987131 /nfs/dbraw/zinc/98/71/31/646987131.db2.gz ZDPJCLXGHFPDOT-GFCCVEGCSA-N 0 3 277.389 2.688 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000886361644 646987621 /nfs/dbraw/zinc/98/76/21/646987621.db2.gz QCXQTIAIAWKKPT-BEFAXECRSA-N 0 3 296.414 2.599 20 30 CFEDHN C#CCC1(NCc2nn(CC)c3ccccc23)CCOCC1 ZINC000886379331 646993293 /nfs/dbraw/zinc/99/32/93/646993293.db2.gz XGFMVSYNSFBHAG-UHFFFAOYSA-N 0 3 297.402 2.718 20 30 CFEDHN C#CCN(C(=O)[C@H](C)C(CC)CC)C1CCN(C)CC1 ZINC000886578973 647053428 /nfs/dbraw/zinc/05/34/28/647053428.db2.gz SLFAGJKXTWQLQX-CQSZACIVSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C(=O)/C=C\C1CCCCC1)C1CCN(C)CC1 ZINC000886581362 647053927 /nfs/dbraw/zinc/05/39/27/647053927.db2.gz UXIFRPCKZMTOMJ-KTKRTIGZSA-N 0 3 288.435 2.679 20 30 CFEDHN Cc1nc(C2CCN(Cc3ccc(C#N)o3)CC2)[nH]c1C ZINC000886659453 647094403 /nfs/dbraw/zinc/09/44/03/647094403.db2.gz MVRFAGRZETZLAP-UHFFFAOYSA-N 0 3 284.363 2.871 20 30 CFEDHN C=CCC1(O)CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000886763938 647130093 /nfs/dbraw/zinc/13/00/93/647130093.db2.gz HZOKHFDFBSBYAA-UHFFFAOYSA-N 0 3 288.391 2.548 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821825 647152879 /nfs/dbraw/zinc/15/28/79/647152879.db2.gz IBNCODJIMDNDBR-HOTGVXAUSA-N 0 3 256.349 2.559 20 30 CFEDHN C=CCOCCNC(C)(C)c1ccc(F)cc1F ZINC000886896891 647170442 /nfs/dbraw/zinc/17/04/42/647170442.db2.gz XZIZNBNCWVBZHZ-UHFFFAOYSA-N 0 3 255.308 2.992 20 30 CFEDHN C#CCC1(NCc2cc(C(F)(F)F)co2)CCOCC1 ZINC000887120640 647217835 /nfs/dbraw/zinc/21/78/35/647217835.db2.gz LDKYKLLOUJKMIW-UHFFFAOYSA-N 0 3 287.281 2.961 20 30 CFEDHN CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C#N)c1[O-] ZINC000924708805 648031631 /nfs/dbraw/zinc/03/16/31/648031631.db2.gz ZUFDENYPVNKNDV-XJKSGUPXSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc2c1OCCO2 ZINC000925408207 648163804 /nfs/dbraw/zinc/16/38/04/648163804.db2.gz PLCJZEAIEXXRKL-LBPRGKRZSA-N 0 3 274.364 2.876 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cccc2c1OCCO2 ZINC000925408206 648164437 /nfs/dbraw/zinc/16/44/37/648164437.db2.gz PLCJZEAIEXXRKL-GFCCVEGCSA-N 0 3 274.364 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20 30 CFEDHN C[C@@H](C#N)CN(C[C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000930085599 649180582 /nfs/dbraw/zinc/18/05/82/649180582.db2.gz IDGXNRNGMNDEQU-IGQOVBAYSA-N 0 3 250.386 2.814 20 30 CFEDHN C[C@H]1OCC[C@]12CN(CCCCC1(C#N)CCC1)CCO2 ZINC000930275504 649220582 /nfs/dbraw/zinc/22/05/82/649220582.db2.gz JWSHDEWQTXZAFC-WBVHZDCISA-N 0 3 292.423 2.730 20 30 CFEDHN CC(F)(F)CCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000930540343 649270302 /nfs/dbraw/zinc/27/03/02/649270302.db2.gz FXNMDQROPYABSY-CYBMUJFWSA-N 0 3 295.333 2.842 20 30 CFEDHN C#CC1CCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930822310 649331963 /nfs/dbraw/zinc/33/19/63/649331963.db2.gz UZMIXBJWMQYKSE-CHWSQXEVSA-N 0 3 275.314 2.832 20 30 CFEDHN C#C[C@@H]1CCCN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930884291 649343694 /nfs/dbraw/zinc/34/36/94/649343694.db2.gz CCPWLUJJABURQY-FRRDWIJNSA-N 0 3 275.314 2.832 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cc2[nH]ccc2cc1C ZINC000931009780 649364240 /nfs/dbraw/zinc/36/42/40/649364240.db2.gz 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278.440 2.616 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(C)cc(C)c1 ZINC001268255410 776724319 /nfs/dbraw/zinc/72/43/19/776724319.db2.gz BELOYRGYBBNLSG-UHFFFAOYSA-N 0 3 274.408 2.883 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001268254928 776724501 /nfs/dbraw/zinc/72/45/01/776724501.db2.gz HZEJYZHXIBIPKQ-UHFFFAOYSA-N 0 3 297.402 2.872 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038952610 776738373 /nfs/dbraw/zinc/73/83/73/776738373.db2.gz GNQRWMOGDJNYFC-CQSZACIVSA-N 0 3 278.783 2.720 20 30 CFEDHN CC(C)CC(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001268341135 776754148 /nfs/dbraw/zinc/75/41/48/776754148.db2.gz XXXSYXZYKAQVKW-CQSZACIVSA-N 0 3 287.407 2.589 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](F)c1ccccc1 ZINC001268405373 776788807 /nfs/dbraw/zinc/78/88/07/776788807.db2.gz PLLOHZAPNVAVFC-JSGCOSHPSA-N 0 3 298.789 2.934 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(C(C)(F)F)CC1 ZINC001268406026 776788910 /nfs/dbraw/zinc/78/89/10/776788910.db2.gz VHGYZOVGSSRUNM-JTQLQIEISA-N 0 3 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ZINC000126754009 777530473 /nfs/dbraw/zinc/53/04/73/777530473.db2.gz KSRJPPPSMBWWLK-FOWTUZBSSA-N 0 3 264.369 2.694 20 30 CFEDHN COc1ccc(CCN(C)Cc2cc(C#N)ccn2)cc1 ZINC001232479793 777576305 /nfs/dbraw/zinc/57/63/05/777576305.db2.gz YMABTYLVRFKWTI-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C=CCCCCCN1C[C@@H](NC(=O)CCCC)[C@H](OC)C1 ZINC001211872515 777590255 /nfs/dbraw/zinc/59/02/55/777590255.db2.gz ZNOGTBXWIFIQCB-HZPDHXFCSA-N 0 3 296.455 2.738 20 30 CFEDHN O=C1C=C2CN(Cc3cc4ccoc4cn3)CCC2S1 ZINC001232552912 777600365 /nfs/dbraw/zinc/60/03/65/777600365.db2.gz UHGCTMUQIUVHNQ-CQSZACIVSA-N 0 3 286.356 2.602 20 30 CFEDHN O=C1C=C2CN(Cc3nc4ccccc4o3)CCC2S1 ZINC001232555646 777602804 /nfs/dbraw/zinc/60/28/04/777602804.db2.gz BWDLRUBZMOOEOQ-ZDUSSCGKSA-N 0 3 286.356 2.602 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN1CC(N2CCCCC2)C1 ZINC001232609316 777615278 /nfs/dbraw/zinc/61/52/78/777615278.db2.gz VZVYFOOCUDHADK-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H](F)C(C)C)cc1 ZINC001280353880 777623374 /nfs/dbraw/zinc/62/33/74/777623374.db2.gz CYQOSOPWPIUEON-BBRMVZONSA-N 0 3 290.382 2.581 20 30 CFEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H](F)C(C)C)cc1 ZINC001280353882 777623451 /nfs/dbraw/zinc/62/34/51/777623451.db2.gz CYQOSOPWPIUEON-CZUORRHYSA-N 0 3 290.382 2.581 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)[C@@H]2C1 ZINC001075810632 777635370 /nfs/dbraw/zinc/63/53/70/777635370.db2.gz OSFOKTPMSXSWBP-CAOSSQGBSA-N 0 3 290.451 2.777 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCCC(C)C)CC1 ZINC001226833504 777663553 /nfs/dbraw/zinc/66/35/53/777663553.db2.gz DDCFADFBNKMECH-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1CC ZINC001087628239 777669896 /nfs/dbraw/zinc/66/98/96/777669896.db2.gz KBCZVLJFAXIJIN-QWHCGFSZSA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1CC ZINC001087695885 777682712 /nfs/dbraw/zinc/68/27/12/777682712.db2.gz YPJYSIPWVWRADH-LSDHHAIUSA-N 0 3 289.423 2.907 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1CC ZINC001087712886 777686010 /nfs/dbraw/zinc/68/60/10/777686010.db2.gz GTOKGQKHFGBHJW-PFSRBDOWSA-N 0 3 282.403 2.670 20 30 CFEDHN N#Cc1ccc(CN2CCN(CC3CCCC3)CC2)s1 ZINC001232844201 777690135 /nfs/dbraw/zinc/69/01/35/777690135.db2.gz RZJNBNLNYZBRNX-UHFFFAOYSA-N 0 3 289.448 2.928 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](COCC3CC3)C2)s1 ZINC001232846357 777691320 /nfs/dbraw/zinc/69/13/20/777691320.db2.gz GJYHIXRYYHTNDZ-CYBMUJFWSA-N 0 3 276.405 2.868 20 30 CFEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1cccc(C#N)n1)C2 ZINC001232923801 777721412 /nfs/dbraw/zinc/72/14/12/777721412.db2.gz JRDFYQUANPIJEY-PBHICJAKSA-N 0 3 285.391 2.592 20 30 CFEDHN Cc1cccc(CCN(C)Cc2cccc(C#N)n2)c1 ZINC001232924592 777721454 /nfs/dbraw/zinc/72/14/54/777721454.db2.gz MIJOTOHPGBRQMX-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@]2(CCO2)C1 ZINC001233083130 777793457 /nfs/dbraw/zinc/79/34/57/777793457.db2.gz WWGVFIWOWGIXBQ-INIZCTEOSA-N 0 3 256.349 2.622 20 30 CFEDHN C#C[C@H]1CCCN(Cc2n[nH]c3cc(F)ccc32)C1 ZINC001233123271 777801344 /nfs/dbraw/zinc/80/13/44/777801344.db2.gz LHCMLRSAOHMFRJ-NSHDSACASA-N 0 3 257.312 2.547 20 30 CFEDHN CC1(C#N)CCN(Cc2cccc3c2CCO3)CC1 ZINC001233277046 777858054 /nfs/dbraw/zinc/85/80/54/777858054.db2.gz LHPPUYMSYKVTKH-UHFFFAOYSA-N 0 3 256.349 2.747 20 30 CFEDHN C=CCN1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233285337 777866683 /nfs/dbraw/zinc/86/66/83/777866683.db2.gz BQVOUTZXQSXODW-UHFFFAOYSA-N 0 3 288.435 2.993 20 30 CFEDHN COC(=O)/C=C/c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC001233299282 777874851 /nfs/dbraw/zinc/87/48/51/777874851.db2.gz RLIQUUADPKYKJN-BQYQJAHWSA-N 0 3 298.386 2.998 20 30 CFEDHN CC[N@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1[O-] ZINC001233386871 777929246 /nfs/dbraw/zinc/92/92/46/777929246.db2.gz LOTDHCBLQWCBQL-UHFFFAOYSA-N 0 3 287.407 2.572 20 30 CFEDHN CC[N@@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1[O-] ZINC001233386871 777929250 /nfs/dbraw/zinc/92/92/50/777929250.db2.gz LOTDHCBLQWCBQL-UHFFFAOYSA-N 0 3 287.407 2.572 20 30 CFEDHN CCN(CC[NH+]1CCCCC1)Cc1ccc(C#N)cc1[O-] ZINC001233386871 777929256 /nfs/dbraw/zinc/92/92/56/777929256.db2.gz LOTDHCBLQWCBQL-UHFFFAOYSA-N 0 3 287.407 2.572 20 30 CFEDHN Cc1cc([O-])c(Cl)cc1O[C@H](CC#N)C[N+](C)(C)C ZINC001233591133 778001830 /nfs/dbraw/zinc/00/18/30/778001830.db2.gz DPDCEYISAMSPDX-LLVKDONJSA-O 0 3 283.779 2.721 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233662748 778029994 /nfs/dbraw/zinc/02/99/94/778029994.db2.gz GYRWOMFNJMKYQI-ZDUSSCGKSA-N 0 3 268.376 2.749 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233694314 778042025 /nfs/dbraw/zinc/04/20/25/778042025.db2.gz NDJLJCWNADUOHU-HOTGVXAUSA-N 0 3 289.423 2.548 20 30 CFEDHN N#Cc1nc2cc(O[C@H]3CN4CCC3CC4)ccc2s1 ZINC001233698124 778045683 /nfs/dbraw/zinc/04/56/83/778045683.db2.gz MNLGQTAGUOGJMI-ZDUSSCGKSA-N 0 3 285.372 2.641 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233728396 778056077 /nfs/dbraw/zinc/05/60/77/778056077.db2.gz BOMAHJGNYADOSA-KBPBESRZSA-N 0 3 284.469 2.627 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1OC1CC[NH+](C2CC2)CC1 ZINC001233802042 778082673 /nfs/dbraw/zinc/08/26/73/778082673.db2.gz GAEAWNXKCNSDAQ-GZTJUZNOSA-N 0 3 290.363 2.509 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233879568 778104574 /nfs/dbraw/zinc/10/45/74/778104574.db2.gz HERQIIATEIERFY-HNNXBMFYSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234187318 778183058 /nfs/dbraw/zinc/18/30/58/778183058.db2.gz WXTZGFCFZGVHHZ-HNNXBMFYSA-N 0 3 262.397 2.596 20 30 CFEDHN CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206114 778186620 /nfs/dbraw/zinc/18/66/20/778186620.db2.gz MZYPHCHWHUYBSI-XITLMJRVSA-N 0 3 290.451 2.925 20 30 CFEDHN CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)N[O-] ZINC001168171927 778206853 /nfs/dbraw/zinc/20/68/53/778206853.db2.gz YXFKIATVGUSGGX-MJVIPROJSA-N 0 3 298.814 2.781 20 30 CFEDHN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001272042659 778216607 /nfs/dbraw/zinc/21/66/07/778216607.db2.gz HYVXKRKJHISTIL-GJZGRUSLSA-N 0 3 276.424 2.840 20 30 CFEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001272042661 778216654 /nfs/dbraw/zinc/21/66/54/778216654.db2.gz HYVXKRKJHISTIL-LSDHHAIUSA-N 0 3 276.424 2.840 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001272067874 778250048 /nfs/dbraw/zinc/25/00/48/778250048.db2.gz QEQUHDVGPBRUBF-KRWDZBQOSA-N 0 3 286.419 2.756 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563486 778253922 /nfs/dbraw/zinc/25/39/22/778253922.db2.gz ROMRYFPBAYYPOO-CQSZACIVSA-N 0 3 266.429 2.777 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NC1(CC#N)CCCC1)C2 ZINC001168261060 778278789 /nfs/dbraw/zinc/27/87/89/778278789.db2.gz RQYNDDVHJVCWTO-HNNXBMFYSA-N 0 3 270.376 2.978 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001272145508 778362690 /nfs/dbraw/zinc/36/26/90/778362690.db2.gz NJASVZWONPHLFG-JKSUJKDBSA-N 0 3 278.440 2.616 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1c[nH]c2ccc(C)cc21 ZINC001272178814 778368117 /nfs/dbraw/zinc/36/81/17/778368117.db2.gz QRQDVIQCELPGRZ-UHFFFAOYSA-N 0 3 285.391 2.666 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H](C=C)c1ccccc1 ZINC001272179110 778368206 /nfs/dbraw/zinc/36/82/06/778368206.db2.gz XFNPKISGQGDUCR-QGZVFWFLSA-N 0 3 298.430 2.760 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1C ZINC001088657268 778378375 /nfs/dbraw/zinc/37/83/75/778378375.db2.gz YHPCQMKLPHRPJE-IKGGRYGDSA-N 0 3 288.435 2.725 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCCC)CCC1 ZINC001235227579 778422120 /nfs/dbraw/zinc/42/21/20/778422120.db2.gz VDDZULLNEKLUBQ-MRXNPFEDSA-N 0 3 290.451 2.903 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC001088712618 778451550 /nfs/dbraw/zinc/45/15/50/778451550.db2.gz VUFFQUGEZHDWIR-DOMZBBRYSA-N 0 3 283.375 2.547 20 30 CFEDHN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(C#N)cc1 ZINC000030532404 778473836 /nfs/dbraw/zinc/47/38/36/778473836.db2.gz NULMXEUCEIBWJA-RISCZKNCSA-N 0 3 256.305 2.535 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038485379 778476315 /nfs/dbraw/zinc/47/63/15/778476315.db2.gz OEVNJYRICJXOOE-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088797991 778499332 /nfs/dbraw/zinc/49/93/32/778499332.db2.gz UVYZSLXYMBAJCL-PMPSAXMXSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001076028058 778559077 /nfs/dbraw/zinc/55/90/77/778559077.db2.gz MUWAGAVWSWZGKJ-ZJIFWQFVSA-N 0 3 290.451 2.777 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001076212403 778575644 /nfs/dbraw/zinc/57/56/44/778575644.db2.gz OSEPQSGPCGZCRF-LSDHHAIUSA-N 0 3 288.391 2.564 20 30 CFEDHN CCCCCCC[C@H](C)OCCN1CCN(C)CC1 ZINC001224553028 778575795 /nfs/dbraw/zinc/57/57/95/778575795.db2.gz VUIKXJCQJUHWIK-INIZCTEOSA-N 0 3 270.461 2.999 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001076331768 778584208 /nfs/dbraw/zinc/58/42/08/778584208.db2.gz BHRSCTCWQBDWMS-XWTMOSNGSA-N 0 3 296.414 2.509 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001076447200 778589982 /nfs/dbraw/zinc/58/99/82/778589982.db2.gz VUNOELDHGSWEHN-VNQPRFMTSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001076448312 778590422 /nfs/dbraw/zinc/59/04/22/778590422.db2.gz MPQGWDUUXVBJCF-BHYGNILZSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001076485911 778591296 /nfs/dbraw/zinc/59/12/96/778591296.db2.gz SETNKKZUARFMRE-DZGCQCFKSA-N 0 3 290.794 2.672 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076497983 778593026 /nfs/dbraw/zinc/59/30/26/778593026.db2.gz XZLHZCRWLXZRGW-DOTOQJQBSA-N 0 3 284.403 2.636 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618314 778597618 /nfs/dbraw/zinc/59/76/18/778597618.db2.gz GDCGBWUSUAABHL-HRCADAONSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618315 778597825 /nfs/dbraw/zinc/59/78/25/778597825.db2.gz GDCGBWUSUAABHL-OWCLPIDISA-N 0 3 290.451 2.922 20 30 CFEDHN C#Cc1ccc(CN2CCc3ccc(N)cc3C2)cc1 ZINC001236234256 778747164 /nfs/dbraw/zinc/74/71/64/778747164.db2.gz YRPUSCOHXZKJMV-UHFFFAOYSA-N 0 3 262.356 2.808 20 30 CFEDHN CN(CCO)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236256126 778754749 /nfs/dbraw/zinc/75/47/49/778754749.db2.gz ZCGAWYRNLDQWBM-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840235 778781268 /nfs/dbraw/zinc/78/12/68/778781268.db2.gz BIWPIEDVLOEQDS-RDBSUJKOSA-N 0 3 264.413 2.578 20 30 CFEDHN N#Cc1ccc(-c2cnccc2N2CCOCC2)c(F)c1 ZINC001236530662 778865424 /nfs/dbraw/zinc/86/54/24/778865424.db2.gz OEQCAVPQTYSYGY-UHFFFAOYSA-N 0 3 283.306 2.596 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccc2ccccc2c1 ZINC001277995767 778908380 /nfs/dbraw/zinc/90/83/80/778908380.db2.gz VHEDAQHXNUTJEL-HNNXBMFYSA-N 0 3 294.398 2.913 20 30 CFEDHN C=CCN1CCN(Cc2cccc3ccoc32)CC1 ZINC001236732959 778923567 /nfs/dbraw/zinc/92/35/67/778923567.db2.gz OWHOGWHRHKYBKI-UHFFFAOYSA-N 0 3 256.349 2.736 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@H]1C ZINC001088905104 778943935 /nfs/dbraw/zinc/94/39/35/778943935.db2.gz JEXWAHMMRKFJBQ-ZNMIVQPWSA-N 0 3 290.407 2.847 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1C ZINC001089013860 778973586 /nfs/dbraw/zinc/97/35/86/778973586.db2.gz PCHRZQREOQBTBM-CJNGLKHVSA-N 0 3 299.418 2.728 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC001089021678 778976637 /nfs/dbraw/zinc/97/66/37/778976637.db2.gz DBOILMFTPGVLLY-WBVHZDCISA-N 0 3 298.430 2.873 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCC[C@]1(C)O ZINC001232844513 778982817 /nfs/dbraw/zinc/98/28/17/778982817.db2.gz RZBRLYWOCNCBGO-FZMZJTMJSA-N 0 3 264.394 2.603 20 30 CFEDHN C=C(C)[C@@H]1CC=C(CN2CC3(C[C@@H]3C(=O)N(C)C)C2)CC1 ZINC001278073358 779061038 /nfs/dbraw/zinc/06/10/38/779061038.db2.gz WYDVMKSLMWUTGK-HZPDHXFCSA-N 0 3 288.435 2.699 20 30 CFEDHN COc1cccc([C@@H]2CCN(Cc3ccnc(C#N)c3)C2)c1 ZINC001237461719 779113161 /nfs/dbraw/zinc/11/31/61/779113161.db2.gz CXFYTANLOGLRBU-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN CN(CCc1ccccc1F)Cc1ccnc(C#N)c1 ZINC001237468447 779115451 /nfs/dbraw/zinc/11/54/51/779115451.db2.gz GXLQRSRPQHTGLA-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN Cn1cc(CN2CC[C@H]3OCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237473890 779116778 /nfs/dbraw/zinc/11/67/78/779116778.db2.gz YEFYHSNIDJUQSA-KBXCAEBGSA-N 0 3 295.386 2.661 20 30 CFEDHN COC(=O)Cc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC001237479515 779117014 /nfs/dbraw/zinc/11/70/14/779117014.db2.gz CQYZRCCZRIAKOQ-CQSZACIVSA-N 0 3 286.375 2.528 20 30 CFEDHN N#Cc1cc(CN2CCN3CCCC[C@@H]3C2)c(F)cc1F ZINC001237526752 779127465 /nfs/dbraw/zinc/12/74/65/779127465.db2.gz QWVCDGKMBSXPDF-CQSZACIVSA-N 0 3 291.345 2.507 20 30 CFEDHN CN(Cc1cn2cc(C#N)ccc2n1)CC1CC(F)(F)C1 ZINC001237607199 779140724 /nfs/dbraw/zinc/14/07/24/779140724.db2.gz RVAJMDCCOSVHSC-UHFFFAOYSA-N 0 3 290.317 2.683 20 30 CFEDHN N#Cc1ccc2nc(CN3CCC4(CC4)CC3)cn2c1 ZINC001237603634 779140979 /nfs/dbraw/zinc/14/09/79/779140979.db2.gz FCQHRWGIWUSPLF-UHFFFAOYSA-N 0 3 266.348 2.582 20 30 CFEDHN CC(C)[NH+]1CCC(Oc2cc([O-])cc(C#N)c2)CC1 ZINC001234144993 779141091 /nfs/dbraw/zinc/14/10/91/779141091.db2.gz YYOCZXDFUUDQDD-UHFFFAOYSA-N 0 3 260.337 2.515 20 30 CFEDHN C[C@H]1CCCCN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237609205 779141740 /nfs/dbraw/zinc/14/17/40/779141740.db2.gz ONEQNAVLDYNAQF-ZDUSSCGKSA-N 0 3 268.364 2.828 20 30 CFEDHN CCN(CCCC(=O)OC)Cc1cc(Cl)cc(C#N)c1 ZINC001237747406 779173569 /nfs/dbraw/zinc/17/35/69/779173569.db2.gz VWQZYKSQTJIUTN-UHFFFAOYSA-N 0 3 294.782 2.987 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000176529023 779216583 /nfs/dbraw/zinc/21/65/83/779216583.db2.gz SFFPVRZLJFPYCD-AWEZNQCLSA-N 0 3 286.331 2.699 20 30 CFEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cc[nH]c1 ZINC001272648911 779388761 /nfs/dbraw/zinc/38/87/61/779388761.db2.gz MQJVKJAAUOTBMZ-QGZVFWFLSA-N 0 3 287.407 2.548 20 30 CFEDHN CCc1cc(CN2CCN3CCCC[C@H]3C2)ccc1C#N ZINC001238773988 779389800 /nfs/dbraw/zinc/38/98/00/779389800.db2.gz FJVILOGDUUKBSB-SFHVURJKSA-N 0 3 283.419 2.791 20 30 CFEDHN CCCCCCC[C@H](C)NC(=O)N[C@H]1CCNC[C@H]1F ZINC001239204674 779469317 /nfs/dbraw/zinc/46/93/17/779469317.db2.gz JJTKNLNBOFOSJC-MJBXVCDLSA-N 0 3 287.423 2.735 20 30 CFEDHN C=C[C@H](C(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC001123923386 779503155 /nfs/dbraw/zinc/50/31/55/779503155.db2.gz BOPJSOJHKYAUNS-HOTGVXAUSA-N 0 3 272.392 2.509 20 30 CFEDHN CCCC[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN1 ZINC001239293031 779503592 /nfs/dbraw/zinc/50/35/92/779503592.db2.gz QJWRTJXEYAYMMW-HNNXBMFYSA-N 0 3 286.379 2.554 20 30 CFEDHN CCCCCCCOC(=O)NC[C@@H]1CCNC[C@@H]1F ZINC001239320692 779513286 /nfs/dbraw/zinc/51/32/86/779513286.db2.gz VLKADNSFIZLSSO-STQMWFEESA-N 0 3 274.380 2.631 20 30 CFEDHN CCCCCCCOC(=O)NC[C@H]1CCNC[C@@H]1F ZINC001239320690 779513442 /nfs/dbraw/zinc/51/34/42/779513442.db2.gz VLKADNSFIZLSSO-OLZOCXBDSA-N 0 3 274.380 2.631 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)/C(C)=C\CC ZINC001272673988 779536347 /nfs/dbraw/zinc/53/63/47/779536347.db2.gz YQESVCDSVIIDJU-XTOZHPGHSA-N 0 3 258.793 2.580 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)/C(C)=C\CC ZINC001272673985 779536395 /nfs/dbraw/zinc/53/63/95/779536395.db2.gz YQESVCDSVIIDJU-GYGFLDJKSA-N 0 3 258.793 2.580 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001089625867 779548560 /nfs/dbraw/zinc/54/85/60/779548560.db2.gz SUAJPEBNWQUWLT-WCVJEAGWSA-N 0 3 290.451 2.825 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001089635026 779550130 /nfs/dbraw/zinc/55/01/30/779550130.db2.gz KWWPRLZDDVDZEP-CQSZACIVSA-N 0 3 289.423 2.730 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C/c1ccco1 ZINC001032254780 779793385 /nfs/dbraw/zinc/79/33/85/779793385.db2.gz PUQDRRGLSUNGSW-WHJWBVKISA-N 0 3 286.375 2.544 20 30 CFEDHN Cc1cnc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)c1 ZINC001238442780 779798961 /nfs/dbraw/zinc/79/89/61/779798961.db2.gz UIWNYEFPLPDLOP-QKDCVEJESA-N 0 3 255.365 2.965 20 30 CFEDHN CN(C)Cc1ccnc(-c2cc(F)c(C#N)c(F)c2)c1 ZINC001239922005 779860153 /nfs/dbraw/zinc/86/01/53/779860153.db2.gz ZYMCHSBOINUDKV-UHFFFAOYSA-N 0 3 273.286 2.960 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1C(C)(C)C1(C)C ZINC001032337441 779866114 /nfs/dbraw/zinc/86/61/14/779866114.db2.gz GNBPCCKTKFXQOO-STQMWFEESA-N 0 3 276.424 2.530 20 30 CFEDHN C=CCCC(=O)NC[C@@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001107802818 779901930 /nfs/dbraw/zinc/90/19/30/779901930.db2.gz ZVSMNDGFMVSHJB-KRWDZBQOSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(F)(F)C1 ZINC001032437945 779956441 /nfs/dbraw/zinc/95/64/41/779956441.db2.gz XKWULXXPTHOTDL-RDBSUJKOSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC=CCCC1 ZINC001032472101 779963052 /nfs/dbraw/zinc/96/30/52/779963052.db2.gz GITLVLNLAUKPQW-ULQDDVLXSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC1(C)C ZINC001032573680 780045514 /nfs/dbraw/zinc/04/55/14/780045514.db2.gz PLEOFJKUZPWAQY-KKUMJFAQSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032605959 780067825 /nfs/dbraw/zinc/06/78/25/780067825.db2.gz LDTUYBTUGNPFOZ-ZOBUZTSGSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C ZINC001032607210 780067933 /nfs/dbraw/zinc/06/79/33/780067933.db2.gz IMFRPFVDQDHHRI-OFQRWUPVSA-N 0 3 264.413 2.530 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(=C)C ZINC001032606293 780068157 /nfs/dbraw/zinc/06/81/57/780068157.db2.gz RPYUKAVSQZVTEX-YQQAZPJKSA-N 0 3 276.424 2.840 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccs1 ZINC001032622867 780080893 /nfs/dbraw/zinc/08/08/93/780080893.db2.gz ZWGZTLWDTGKJNE-RDBSUJKOSA-N 0 3 290.432 2.713 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)cc1 ZINC001032738817 780161589 /nfs/dbraw/zinc/16/15/89/780161589.db2.gz PKYBSROVVBTRRF-NJAFHUGGSA-N 0 3 298.430 2.960 20 30 CFEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC001116621072 780201120 /nfs/dbraw/zinc/20/11/20/780201120.db2.gz QJBKOVRGTVEHTH-ZFWWWQNUSA-N 0 3 262.397 2.994 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038542127 780204638 /nfs/dbraw/zinc/20/46/38/780204638.db2.gz YINJBJYCBRDKPV-WCXIOVBPSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC=CCC1 ZINC001032788289 780225405 /nfs/dbraw/zinc/22/54/05/780225405.db2.gz UHUYYTVOXNXWKD-IRXDYDNUSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C=C)c1ccccc1 ZINC001032797335 780251252 /nfs/dbraw/zinc/25/12/52/780251252.db2.gz OZMDAGZOSBHKIH-OKZBNKHCSA-N 0 3 296.414 2.817 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C=C2CCC2)C12CCC2 ZINC001078593687 780278349 /nfs/dbraw/zinc/27/83/49/780278349.db2.gz HHRPXIUGPFAGHD-KGLIPLIRSA-N 0 3 294.826 2.866 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2=CCCC2)C12CCC2 ZINC001078589198 780280885 /nfs/dbraw/zinc/28/08/85/780280885.db2.gz NTEPKFQFKYJIGV-ZIAGYGMSSA-N 0 3 294.826 2.866 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098848559 780317927 /nfs/dbraw/zinc/31/79/27/780317927.db2.gz CNKJQMSMCVFBNR-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1ccccc1F ZINC001168689569 780337504 /nfs/dbraw/zinc/33/75/04/780337504.db2.gz VDFUTWSZYNAIMR-LBPRGKRZSA-N 0 3 298.789 2.778 20 30 CFEDHN N=C(N[C@@H]1Cc2cccc(Cl)c2C1)c1ccc(F)cn1 ZINC001168695381 780354086 /nfs/dbraw/zinc/35/40/86/780354086.db2.gz YUPXNAYEDBPJMA-LLVKDONJSA-N 0 3 289.741 2.747 20 30 CFEDHN CC(C)O[C@@H]1C[C@@H](NCC2(C#N)CCC2)C1(C)C ZINC000451490166 780371217 /nfs/dbraw/zinc/37/12/17/780371217.db2.gz DBFGAITZPGMARG-CHWSQXEVSA-N 0 3 250.386 2.862 20 30 CFEDHN C=C(C)CCC(=O)NCCNCc1cc2ccccc2o1 ZINC001128405116 780427367 /nfs/dbraw/zinc/42/73/67/780427367.db2.gz PACZJASKHSMODI-UHFFFAOYSA-N 0 3 286.375 2.995 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1ocnc1C ZINC001273002072 780471649 /nfs/dbraw/zinc/47/16/49/780471649.db2.gz RKLQGNFMWJJCCR-LRDDRELGSA-N 0 3 293.411 2.570 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032979911 780522883 /nfs/dbraw/zinc/52/28/83/780522883.db2.gz SYRRTGIIPUSLJV-CYBMUJFWSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCO[C@@H]1CCN(Cc2ccc(OC)c(OC)c2C)C1 ZINC001117627492 780583420 /nfs/dbraw/zinc/58/34/20/780583420.db2.gz XTIVNPLBWGTYBL-OAHLLOKOSA-N 0 3 291.391 2.789 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033289780 780643180 /nfs/dbraw/zinc/64/31/80/780643180.db2.gz LMQWLDVHBBGYQG-GOSISDBHSA-N 0 3 298.430 2.825 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001033341628 780661106 /nfs/dbraw/zinc/66/11/06/780661106.db2.gz CIXHHFMSAWNHOR-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001033369833 780667794 /nfs/dbraw/zinc/66/77/94/780667794.db2.gz OATBIJTWNOAQIL-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2C)C1 ZINC001033383203 780672259 /nfs/dbraw/zinc/67/22/59/780672259.db2.gz IEXLGWIPIWWUHI-KRWDZBQOSA-N 0 3 286.419 2.565 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033388782 780673386 /nfs/dbraw/zinc/67/33/86/780673386.db2.gz DWVKMAVYEWHUIJ-MRXNPFEDSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033562214 780715456 /nfs/dbraw/zinc/71/54/56/780715456.db2.gz NQOKLTZTMQCUED-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001033640878 780739606 /nfs/dbraw/zinc/73/96/06/780739606.db2.gz UQTUFSAQPHKHGY-HNNXBMFYSA-N 0 3 294.345 2.687 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033677533 780746607 /nfs/dbraw/zinc/74/66/07/780746607.db2.gz BXVJVKZPUUWGOD-IAGOWNOFSA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033706717 780755577 /nfs/dbraw/zinc/75/55/77/780755577.db2.gz XBQIKXHRBXCBKZ-UYSNPLJNSA-N 0 3 290.451 2.615 20 30 CFEDHN CN1CCC[C@@](C)(Nc2nc(Cl)c(F)cc2C#N)C1 ZINC001162330773 780755882 /nfs/dbraw/zinc/75/58/82/780755882.db2.gz IZBRJTVQCCOTRX-CYBMUJFWSA-N 0 3 282.750 2.642 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001033707436 780756145 /nfs/dbraw/zinc/75/61/45/780756145.db2.gz LUDWSAUPEWANBE-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033702008 780756310 /nfs/dbraw/zinc/75/63/10/780756310.db2.gz MVZSVWOSNBUOEW-GFCCVEGCSA-N 0 3 296.411 3.000 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033734524 780770380 /nfs/dbraw/zinc/77/03/80/780770380.db2.gz DXJAWABJCXUWLZ-MRXNPFEDSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033790508 780790356 /nfs/dbraw/zinc/79/03/56/780790356.db2.gz CTJUJSIFTPAXTR-HNNXBMFYSA-N 0 3 262.397 2.596 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033830137 780800098 /nfs/dbraw/zinc/80/00/98/780800098.db2.gz OERCCIOBDQUQCY-CQSZACIVSA-N 0 3 290.432 2.616 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC001034146036 780906211 /nfs/dbraw/zinc/90/62/11/780906211.db2.gz NBAXHKRHBDCSBI-MRXNPFEDSA-N 0 3 287.407 2.550 20 30 CFEDHN C#C[C@H](NCc1ccc(C(=O)OC)c(F)c1)C(C)(C)C ZINC000702277398 780906626 /nfs/dbraw/zinc/90/66/26/780906626.db2.gz IPVYSQOVQZLZGO-AWEZNQCLSA-N 0 3 277.339 2.750 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226955 780925966 /nfs/dbraw/zinc/92/59/66/780925966.db2.gz WEGLNYDTLRKVAE-WBVHZDCISA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001034236893 780930921 /nfs/dbraw/zinc/93/09/21/780930921.db2.gz OPPQLQGBVBJJPW-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034266203 780935796 /nfs/dbraw/zinc/93/57/96/780935796.db2.gz NITVXNKYOQGCIC-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376231 780960512 /nfs/dbraw/zinc/96/05/12/780960512.db2.gz KXHIYAYGIKZEDS-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001034387935 780962651 /nfs/dbraw/zinc/96/26/51/780962651.db2.gz YFDDLAMQBJYWRV-GFCCVEGCSA-N 0 3 294.782 2.541 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001034412641 780970106 /nfs/dbraw/zinc/97/01/06/780970106.db2.gz AMILBBRNEKUCDX-RBSFLKMASA-N 0 3 288.391 2.540 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001034431244 780974737 /nfs/dbraw/zinc/97/47/37/780974737.db2.gz IBPBDFUPVRJFCB-LSDHHAIUSA-N 0 3 290.407 2.848 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034437404 780976093 /nfs/dbraw/zinc/97/60/93/780976093.db2.gz YFEPOTVKWSRXBA-HRCADAONSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034478903 780981129 /nfs/dbraw/zinc/98/11/29/780981129.db2.gz PWUAJZGKFXDNBV-OAHLLOKOSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034493960 780982361 /nfs/dbraw/zinc/98/23/61/780982361.db2.gz LTWZYTNRKRIFKZ-WBVHZDCISA-N 0 3 286.419 2.947 20 30 CFEDHN N#Cc1cc(F)cc(-c2ccc3[nH]c(N)nc3c2)c1 ZINC001241658182 781052009 /nfs/dbraw/zinc/05/20/09/781052009.db2.gz BZVXDQFODDKFED-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN N#Cc1cc(F)cc(-c2ccc3nc(N)[nH]c3c2)c1 ZINC001241658182 781052012 /nfs/dbraw/zinc/05/20/12/781052012.db2.gz BZVXDQFODDKFED-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C2CCC=CCC2)CC1 ZINC001045642350 781108376 /nfs/dbraw/zinc/10/83/76/781108376.db2.gz ACVAHSXGEBGBEB-UHFFFAOYSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)/C=C(\C)CC)C2 ZINC001278336030 781125867 /nfs/dbraw/zinc/12/58/67/781125867.db2.gz OBQZENQRJVLDJT-QCUIPMNBSA-N 0 3 288.435 2.681 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)CC1CCCC1)CC2 ZINC001035638228 781153721 /nfs/dbraw/zinc/15/37/21/781153721.db2.gz MNKKCHQVBUWZRX-UHFFFAOYSA-N 0 3 288.435 2.514 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cc(C)co1)CC2 ZINC001035771301 781166538 /nfs/dbraw/zinc/16/65/38/781166538.db2.gz AZOBFEKKJMJICW-UHFFFAOYSA-N 0 3 288.391 2.702 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C1CC1)CC2 ZINC001035772932 781171149 /nfs/dbraw/zinc/17/11/49/781171149.db2.gz LEZNJDCIDAXLKF-UHFFFAOYSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C1CC1)CC2 ZINC001035814771 781174130 /nfs/dbraw/zinc/17/41/30/781174130.db2.gz RLHKLYKONDZKKP-JKSUJKDBSA-N 0 3 288.435 2.533 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000709405524 781310893 /nfs/dbraw/zinc/31/08/93/781310893.db2.gz ILTSWEFWTMVVFU-NSHDSACASA-N 0 3 299.346 2.961 20 30 CFEDHN CCCCCC(C)(C)CNC(=O)[C@H](N)CCCC#N ZINC000709413565 781311025 /nfs/dbraw/zinc/31/10/25/781311025.db2.gz CZSLTEMQIQWKLF-CYBMUJFWSA-N 0 3 267.417 2.730 20 30 CFEDHN Cc1cc(C#N)cc(-c2cncc(CN(C)C)c2)c1 ZINC001242478353 781532720 /nfs/dbraw/zinc/53/27/20/781532720.db2.gz GINPDYIJSQCQBD-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098861773 781618563 /nfs/dbraw/zinc/61/85/63/781618563.db2.gz FNOAXZIIWYERNG-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cc(CN)nn1-c1ccc(C#C[Si](C)(C)C)cc1 ZINC001163985031 781627590 /nfs/dbraw/zinc/62/75/90/781627590.db2.gz GUTLIZPLCAIRQI-UHFFFAOYSA-N 0 3 283.451 2.868 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080177466 781638157 /nfs/dbraw/zinc/63/81/57/781638157.db2.gz MTUYOVQDIFGBQU-OVYGPGRDSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001080428209 781658770 /nfs/dbraw/zinc/65/87/70/781658770.db2.gz ROXNTRWKSHZTMZ-UMVBOHGHSA-N 0 3 292.448 2.864 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001080811720 781678642 /nfs/dbraw/zinc/67/86/42/781678642.db2.gz UATXHHAJSOJSKK-BZZMCLGOSA-N 0 3 298.430 2.803 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818316 781678902 /nfs/dbraw/zinc/67/89/02/781678902.db2.gz CUGHMZLPLNTBEH-KLHDSHLOSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001080882779 781684355 /nfs/dbraw/zinc/68/43/55/781684355.db2.gz SJIGRIYSPZOJLL-NVXWUHKLSA-N 0 3 286.419 2.930 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001080974283 781686116 /nfs/dbraw/zinc/68/61/16/781686116.db2.gz PZNGRZWDDPGENL-XJKCOSOUSA-N 0 3 290.382 2.552 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001080984440 781690050 /nfs/dbraw/zinc/69/00/50/781690050.db2.gz SSBGBCSBWMGBAI-NUJGCVRESA-N 0 3 288.435 2.583 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001080993612 781691237 /nfs/dbraw/zinc/69/12/37/781691237.db2.gz NOLJGSFODTXHFN-IUODEOHRSA-N 0 3 292.448 2.612 20 30 CFEDHN CC#CCNC1(CNC(=O)C2(C)CCC(C)CC2)CCC1 ZINC001273207811 781749096 /nfs/dbraw/zinc/74/90/96/781749096.db2.gz DHINKZVISOGJBI-UHFFFAOYSA-N 0 3 290.451 2.855 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084392639 781792429 /nfs/dbraw/zinc/79/24/29/781792429.db2.gz XKHVXTQQPNWHGA-MGPQQGTHSA-N 0 3 298.377 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084786524 781836183 /nfs/dbraw/zinc/83/61/83/781836183.db2.gz VVYQFGRBOZJXFD-KBAYOESNSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCSCC ZINC001098926695 781856758 /nfs/dbraw/zinc/85/67/58/781856758.db2.gz BYFCLPXEWORMRT-CQSZACIVSA-N 0 3 298.496 2.922 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001230696496 781867319 /nfs/dbraw/zinc/86/73/19/781867319.db2.gz BPRUQFICSMLQKD-CQSZACIVSA-N 0 3 278.421 2.861 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972670 781870658 /nfs/dbraw/zinc/87/06/58/781870658.db2.gz SISYWZXFCREVGB-ZNMIVQPWSA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)COCCC ZINC001098954087 781916058 /nfs/dbraw/zinc/91/60/58/781916058.db2.gz YPZOOULGCBONAD-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN CC(C)(C#N)c1ccc(CNCC2=CCCOC2)cc1 ZINC000594505873 349433712 /nfs/dbraw/zinc/43/37/12/349433712.db2.gz DHZDGRLBCWOXPR-UHFFFAOYSA-N 0 3 270.376 2.924 20 30 CFEDHN CC[C@@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H](O)C(F)F ZINC000594508807 349435013 /nfs/dbraw/zinc/43/50/13/349435013.db2.gz WNSGODZGVRUHDS-ZIAGYGMSSA-N 0 3 296.361 2.982 20 30 CFEDHN C[C@@H]1OCC[C@H]1NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517248 349439034 /nfs/dbraw/zinc/43/90/34/349439034.db2.gz JKVZYHQYCLEXIY-SWLSCSKDSA-N 0 3 256.349 2.704 20 30 CFEDHN N#Cc1ccccc1-n1cc(CNC2CCCCC2)nn1 ZINC000594650803 349468443 /nfs/dbraw/zinc/46/84/43/349468443.db2.gz DAOCTYDAJHWFHZ-UHFFFAOYSA-N 0 3 281.363 2.561 20 30 CFEDHN CC[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000594941545 349521128 /nfs/dbraw/zinc/52/11/28/349521128.db2.gz VLQOZRYVPXQYCG-OLZOCXBDSA-N 0 3 264.756 2.869 20 30 CFEDHN Cc1c(Br)cncc1CNCCCC#N ZINC000594944752 349522853 /nfs/dbraw/zinc/52/28/53/349522853.db2.gz VZQHTPVDVCIBMP-UHFFFAOYSA-N 0 3 268.158 2.546 20 30 CFEDHN CC(C)(CCC#N)CNCc1cnc(C(F)(F)F)nc1 ZINC000594950090 349525584 /nfs/dbraw/zinc/52/55/84/349525584.db2.gz HUWXFXISMJFNQM-UHFFFAOYSA-N 0 3 286.301 2.915 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127793785 187333873 /nfs/dbraw/zinc/33/38/73/187333873.db2.gz XLRGUTVJFNPEQX-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CC[C@@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H](O)C(F)F ZINC000594956943 349529064 /nfs/dbraw/zinc/52/90/64/349529064.db2.gz LNEQPSZDWGBSBY-ZIAGYGMSSA-N 0 3 294.345 2.736 20 30 CFEDHN C=CCCSCCNCc1cnn(CC(F)F)c1 ZINC000594960458 349530601 /nfs/dbraw/zinc/53/06/01/349530601.db2.gz QOLRVSMGASTNBZ-UHFFFAOYSA-N 0 3 275.368 2.547 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCN(C3CCCCC3)C2)n1 ZINC000594978031 349536662 /nfs/dbraw/zinc/53/66/62/349536662.db2.gz QJQYSYXBYUQQGW-GFCCVEGCSA-N 0 3 290.436 2.511 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2COc3cc(F)ccc3C2)s1 ZINC000594978638 349537059 /nfs/dbraw/zinc/53/70/59/349537059.db2.gz UGTSPWHWWHMVHM-LBPRGKRZSA-N 0 3 288.347 2.852 20 30 CFEDHN CCSC1(CNCc2ccc(C#N)c(OC)c2)CC1 ZINC000594986569 349539919 /nfs/dbraw/zinc/53/99/19/349539919.db2.gz GWRYBSAUQQSSKP-UHFFFAOYSA-N 0 3 276.405 2.942 20 30 CFEDHN CC[C@@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000125166790 187173060 /nfs/dbraw/zinc/17/30/60/187173060.db2.gz URLPHPIZVORXJV-CYBMUJFWSA-N 0 3 274.364 2.678 20 30 CFEDHN C[C@@H](N[C@@H]1COC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000595048752 349563712 /nfs/dbraw/zinc/56/37/12/349563712.db2.gz MMXSSHRLBZCXAZ-MFKMUULPSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)s2)CCO[C@H]1C1CC1 ZINC000273087570 192039338 /nfs/dbraw/zinc/03/93/38/192039338.db2.gz KGDPJRZADKBMDI-KBPBESRZSA-N 0 3 262.378 2.667 20 30 CFEDHN CN(C)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000348340838 282132890 /nfs/dbraw/zinc/13/28/90/282132890.db2.gz YDSUUWFDVIEIDI-KCXAZCMYSA-N 0 3 275.371 2.710 20 30 CFEDHN C=CCCSCCN[C@@H]1CCCc2nn(C)cc21 ZINC000595060192 349570268 /nfs/dbraw/zinc/57/02/68/349570268.db2.gz UFUMHMKRIAZNGA-CYBMUJFWSA-N 0 3 265.426 2.696 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cccc(C#N)c1 ZINC000595060102 349570617 /nfs/dbraw/zinc/57/06/17/349570617.db2.gz LRNRCDLMRGSZFZ-SGJCYKPQSA-N 0 3 290.432 2.899 20 30 CFEDHN COC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000595066235 349572512 /nfs/dbraw/zinc/57/25/12/349572512.db2.gz GVMKJORDRZKWRX-NOLJZWGESA-N 0 3 274.364 2.665 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCn2nccc21 ZINC000595037652 349559191 /nfs/dbraw/zinc/55/91/91/349559191.db2.gz BGJZGMMYFNLCCP-HOTGVXAUSA-N 0 3 278.359 2.867 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2COc3cc(F)ccc3C2)C1 ZINC000595078815 349576207 /nfs/dbraw/zinc/57/62/07/349576207.db2.gz BENWIGRBPSVMOW-DFBGVHRSSA-N 0 3 274.339 2.801 20 30 CFEDHN CC[C@H](NCC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000595090019 349577263 /nfs/dbraw/zinc/57/72/63/349577263.db2.gz BSWXRCWOQASUOZ-KBPBESRZSA-N 0 3 250.386 2.865 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1ccc(C#N)c(F)c1 ZINC000595090878 349578050 /nfs/dbraw/zinc/57/80/50/349578050.db2.gz PEKOZFKLVOYQRH-LKTVYLICSA-N 0 3 274.339 2.651 20 30 CFEDHN N#CC1(CNC(=O)Nc2ccc3c(c2)CNC3)CCCCC1 ZINC000595237168 349586633 /nfs/dbraw/zinc/58/66/33/349586633.db2.gz YUANCRUNYXITIS-UHFFFAOYSA-N 0 3 298.390 2.885 20 30 CFEDHN Cc1sc(NC(=O)[C@@H](N)CCCCC#N)nc1C(C)C ZINC000595257092 349588178 /nfs/dbraw/zinc/58/81/78/349588178.db2.gz PYRFZDQZMDCNSW-NSHDSACASA-N 0 3 294.424 2.925 20 30 CFEDHN CSc1c(F)cccc1NC(=O)[C@@H](N)CCCCC#N ZINC000595257794 349588202 /nfs/dbraw/zinc/58/82/02/349588202.db2.gz WYGBVCMLVXMWKX-NSHDSACASA-N 0 3 295.383 2.897 20 30 CFEDHN C=CCCSCCNC(=O)[C@H](N)CC1CCCCC1 ZINC000595256495 349588313 /nfs/dbraw/zinc/58/83/13/349588313.db2.gz MDPVFVBHFCEHBW-CQSZACIVSA-N 0 3 284.469 2.710 20 30 CFEDHN N#CC1(CNC(=O)C[C@@H]2NCc3ccccc32)CCCCC1 ZINC000595257161 349588338 /nfs/dbraw/zinc/58/83/38/349588338.db2.gz HPEDZKHGTZZEGH-INIZCTEOSA-N 0 3 297.402 2.811 20 30 CFEDHN C=CCCSCCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000595256494 349588352 /nfs/dbraw/zinc/58/83/52/349588352.db2.gz MDPVFVBHFCEHBW-AWEZNQCLSA-N 0 3 284.469 2.710 20 30 CFEDHN C[C@H]1SCCN(CCc2ccc(C#N)cc2)[C@H]1C ZINC000595323489 349602632 /nfs/dbraw/zinc/60/26/32/349602632.db2.gz YWRBDYOEWCNECV-QWHCGFSZSA-N 0 3 260.406 2.927 20 30 CFEDHN CC[C@H]1CN(CCc2ccc(C#N)cc2)CCS1 ZINC000595332148 349603526 /nfs/dbraw/zinc/60/35/26/349603526.db2.gz CFYWZHZGRLGCMD-HNNXBMFYSA-N 0 3 260.406 2.928 20 30 CFEDHN CC[C@H]1CO[C@@H](C)CN1CCc1ccc(C#N)cc1 ZINC000595290557 349592466 /nfs/dbraw/zinc/59/24/66/349592466.db2.gz MBARTEVZHFMQDK-BBRMVZONSA-N 0 3 258.365 2.600 20 30 CFEDHN CCOC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595294963 349593294 /nfs/dbraw/zinc/59/32/94/349593294.db2.gz DIOYPMRUXNPDCO-UHFFFAOYSA-N 0 3 258.365 2.602 20 30 CFEDHN CCN(C[C@@H](COC)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000595296284 349595046 /nfs/dbraw/zinc/59/50/46/349595046.db2.gz ZHJWBFRBWMZCEP-CJNGLKHVSA-N 0 3 276.380 2.603 20 30 CFEDHN CC1(C)C[C@@H](N2CCCN(c3ccccc3C#N)CC2)CO1 ZINC000595299624 349597163 /nfs/dbraw/zinc/59/71/63/349597163.db2.gz WMECIGLDZGQOFQ-MRXNPFEDSA-N 0 3 299.418 2.638 20 30 CFEDHN CN(CCOC(C)(C)C)CCc1ccc(C#N)cc1 ZINC000595349692 349609001 /nfs/dbraw/zinc/60/90/01/349609001.db2.gz CTDDERSMVHQEJC-UHFFFAOYSA-N 0 3 260.381 2.848 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2CC=CC2)CC1 ZINC000595377633 349612244 /nfs/dbraw/zinc/61/22/44/349612244.db2.gz PRTNSOKOHBYLPW-SFHVURJKSA-N 0 3 281.403 2.835 20 30 CFEDHN N#Cc1ccc(CCN2CCc3ccccc3[C@H]2CO)cc1 ZINC000595381701 349613341 /nfs/dbraw/zinc/61/33/41/349613341.db2.gz YSLHJYLLVDFQIW-LJQANCHMSA-N 0 3 292.382 2.692 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@H]2CCCC[C@H]2C)CC1 ZINC000595397463 349615905 /nfs/dbraw/zinc/61/59/05/349615905.db2.gz IUBVEWOFECGVSF-ZACQAIPSSA-N 0 3 277.456 2.978 20 30 CFEDHN COC[C@@H](NCCc1ccc(C#N)cc1)c1ccco1 ZINC000595429336 349623499 /nfs/dbraw/zinc/62/34/99/349623499.db2.gz CVJXQMRXNCCILC-OAHLLOKOSA-N 0 3 270.332 2.671 20 30 CFEDHN CN(CCN(C)C1CC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595446647 349628802 /nfs/dbraw/zinc/62/88/02/349628802.db2.gz SBUQYUPZBCROLV-OAHLLOKOSA-N 0 3 277.799 2.931 20 30 CFEDHN COCCN(CCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000595498412 349642696 /nfs/dbraw/zinc/64/26/96/349642696.db2.gz SNSAVVCPQZXNNH-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN CC[C@@H](C)N(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000595597886 349669776 /nfs/dbraw/zinc/66/97/76/349669776.db2.gz BZIMRUAEAPZRSG-GFCCVEGCSA-N 0 3 274.364 2.965 20 30 CFEDHN CC[C@H](C)N(CC)Cc1cccc(C(=O)OC)c1C#N ZINC000595597888 349669863 /nfs/dbraw/zinc/66/98/63/349669863.db2.gz BZIMRUAEAPZRSG-LBPRGKRZSA-N 0 3 274.364 2.965 20 30 CFEDHN CN(CC1CCCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000069227655 346886366 /nfs/dbraw/zinc/88/63/66/346886366.db2.gz CXWTYMQLYCTNGG-QGZVFWFLSA-N 0 3 297.402 2.786 20 30 CFEDHN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000595569579 349663096 /nfs/dbraw/zinc/66/30/96/349663096.db2.gz ZVCFTCGHWSIZTN-ZFWWWQNUSA-N 0 3 256.349 2.941 20 30 CFEDHN N#CC[C@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000595614270 349677143 /nfs/dbraw/zinc/67/71/43/349677143.db2.gz JNZOHJHEEVFKEJ-CQSZACIVSA-N 0 3 296.374 2.905 20 30 CFEDHN C=CCN(Cc1ccc(OC)c(C#N)c1)[C@H](C)COC ZINC000595638686 349685910 /nfs/dbraw/zinc/68/59/10/349685910.db2.gz LAUPROLJNPLPDA-CYBMUJFWSA-N 0 3 274.364 2.590 20 30 CFEDHN COCc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595621793 349679813 /nfs/dbraw/zinc/67/98/13/349679813.db2.gz YXFSGMJEYNSPLW-AWEZNQCLSA-N 0 3 258.365 2.959 20 30 CFEDHN COCc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595621799 349679916 /nfs/dbraw/zinc/67/99/16/349679916.db2.gz YXFSGMJEYNSPLW-CQSZACIVSA-N 0 3 258.365 2.959 20 30 CFEDHN N#CC[C@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623212 349680490 /nfs/dbraw/zinc/68/04/90/349680490.db2.gz JXCIRQVWLDOKBS-QZTJIDSGSA-N 0 3 283.419 2.887 20 30 CFEDHN N#CC[C@H]1CCCN(CCN2CCc3ccccc32)C1 ZINC000595623444 349680499 /nfs/dbraw/zinc/68/04/99/349680499.db2.gz PLJLVZGAQOMGMM-OAHLLOKOSA-N 0 3 269.392 2.675 20 30 CFEDHN N#CC[C@@H]1CCCN(CCN2CCc3ccccc32)C1 ZINC000595623443 349680659 /nfs/dbraw/zinc/68/06/59/349680659.db2.gz PLJLVZGAQOMGMM-HNNXBMFYSA-N 0 3 269.392 2.675 20 30 CFEDHN COC(=O)c1ccccc1CCN1CCC[C@H](CC#N)C1 ZINC000595623617 349680704 /nfs/dbraw/zinc/68/07/04/349680704.db2.gz VMJBTPFGZHGXBB-CQSZACIVSA-N 0 3 286.375 2.641 20 30 CFEDHN CC(C)(NCCn1cc(Cl)cn1)c1cccc(C#N)c1 ZINC000595633188 349683403 /nfs/dbraw/zinc/68/34/03/349683403.db2.gz NMTVKHMTUDFEFZ-UHFFFAOYSA-N 0 3 288.782 2.933 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000595671398 349696280 /nfs/dbraw/zinc/69/62/80/349696280.db2.gz FQTFVENHSGIEGL-WFASDCNBSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](C2CCCCC2)C1 ZINC000595731684 349719607 /nfs/dbraw/zinc/71/96/07/349719607.db2.gz BHOAUMJHJSVZJZ-GOEBONIOSA-N 0 3 291.439 2.649 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C2CCCCC2)C1 ZINC000595742683 349721804 /nfs/dbraw/zinc/72/18/04/349721804.db2.gz YXFXWGSFPODAJC-MRXNPFEDSA-N 0 3 291.439 2.651 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000595780750 349731739 /nfs/dbraw/zinc/73/17/39/349731739.db2.gz MRKRHLJTSQIARE-KGLIPLIRSA-N 0 3 258.365 2.752 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)nc1 ZINC000595787487 349733909 /nfs/dbraw/zinc/73/39/09/349733909.db2.gz JGFFCKBORGZGHK-RDJZCZTQSA-N 0 3 285.391 2.734 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)CC1=CCSC1 ZINC000595895568 349764015 /nfs/dbraw/zinc/76/40/15/349764015.db2.gz PLKIMMPTZQAMQL-UHFFFAOYSA-N 0 3 274.389 2.542 20 30 CFEDHN CC(C)CC1(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000595835054 349748037 /nfs/dbraw/zinc/74/80/37/349748037.db2.gz RHIYNHXNWPNSGP-ZFWWWQNUSA-N 0 3 279.428 2.598 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000595865573 349757803 /nfs/dbraw/zinc/75/78/03/349757803.db2.gz BGLSDRWSDNYLCX-LSDHHAIUSA-N 0 3 291.439 2.982 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)s1)[C@H](O)C(C)C ZINC000414519458 529626048 /nfs/dbraw/zinc/62/60/48/529626048.db2.gz CIQZFKPNGYQLFR-QWHCGFSZSA-N 0 3 252.383 2.505 20 30 CFEDHN CC(C)[NH+](CCN=c1[n-]c(C#N)c(Cl)s1)C(C)C ZINC000596055883 349782933 /nfs/dbraw/zinc/78/29/33/349782933.db2.gz OLAITTGBHVHIRQ-UHFFFAOYSA-N 0 3 286.832 2.621 20 30 CFEDHN CN(CCC#N)C(=O)CCN[C@@]1(c2ccccc2)CC1(C)C ZINC000595911823 349768032 /nfs/dbraw/zinc/76/80/32/349768032.db2.gz ZEGJIJKNWLWMSL-GOSISDBHSA-N 0 3 299.418 2.664 20 30 CFEDHN Cc1ccnc(NC(=O)[C@H](N)CCCCC#N)c1C1CC1 ZINC000595937782 349771278 /nfs/dbraw/zinc/77/12/78/349771278.db2.gz ITJOIMIXLHJPPX-CYBMUJFWSA-N 0 3 286.379 2.617 20 30 CFEDHN CCC[NH+]1CCC(CN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596097679 349793689 /nfs/dbraw/zinc/79/36/89/349793689.db2.gz JDZFGKQPATXBHW-UHFFFAOYSA-N 0 3 298.843 2.624 20 30 CFEDHN CC(C)N1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596110540 349797217 /nfs/dbraw/zinc/79/72/17/349797217.db2.gz OHNFKRIPPHWYIZ-UHFFFAOYSA-N 0 3 284.816 2.589 20 30 CFEDHN CCN1CCCC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000596118652 349798605 /nfs/dbraw/zinc/79/86/05/349798605.db2.gz CYAPHKVYFNEJSI-HNNXBMFYSA-N 0 3 295.390 2.788 20 30 CFEDHN C=CCN1CCC(Nc2nc3ncccc3cc2C#N)CC1 ZINC000596116486 349798170 /nfs/dbraw/zinc/79/81/70/349798170.db2.gz LXQTYFXIHBRWDZ-UHFFFAOYSA-N 0 3 293.374 2.564 20 30 CFEDHN Cc1cc(NC[C@H]2CCN2C(C)(C)C)cc(C#N)n1 ZINC000596308717 349858803 /nfs/dbraw/zinc/85/88/03/349858803.db2.gz LYRHQGOJHBXRQX-CQSZACIVSA-N 0 3 258.369 2.546 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000596308448 349858865 /nfs/dbraw/zinc/85/88/65/349858865.db2.gz SLNTYXKUHLRCIH-LBPRGKRZSA-N 0 3 288.351 2.751 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1ccccn1 ZINC000073970435 346987429 /nfs/dbraw/zinc/98/74/29/346987429.db2.gz BCQYUKOSIBMSFQ-JTQLQIEISA-N 0 3 291.232 2.985 20 30 CFEDHN C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000074046452 346994080 /nfs/dbraw/zinc/99/40/80/346994080.db2.gz OGOLSKSVDQANQL-CABCVRRESA-N 0 3 299.418 3.000 20 30 CFEDHN N#CCCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000074057742 346994557 /nfs/dbraw/zinc/99/45/57/346994557.db2.gz WKNWCCJSQYVAGI-UHFFFAOYSA-N 0 3 297.402 2.847 20 30 CFEDHN Cc1nnc(CCN[C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000353570398 282312948 /nfs/dbraw/zinc/31/29/48/282312948.db2.gz SLEHSCPQHFXPBW-CQSZACIVSA-N 0 3 284.388 2.538 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N(C)C[C@H]2CCCN(C)C2)c1 ZINC000273181543 192068018 /nfs/dbraw/zinc/06/80/18/192068018.db2.gz HDNSZPVCQZNMFW-AWEZNQCLSA-N 0 3 285.391 2.539 20 30 CFEDHN CCN(CC)CCNc1cc(C(C)=O)ccc1C#N ZINC000273185837 192068650 /nfs/dbraw/zinc/06/86/50/192068650.db2.gz HWAIJEDLWMCNFL-UHFFFAOYSA-N 0 3 259.353 2.515 20 30 CFEDHN C[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1cccc(C#N)c1 ZINC000075504392 347080376 /nfs/dbraw/zinc/08/03/76/347080376.db2.gz IFZJNJMRWLZTGJ-GJZGRUSLSA-N 0 3 299.418 3.000 20 30 CFEDHN CCN1CCC(Nc2cc(C(C)=O)ccc2C#N)CC1 ZINC000273220977 192079330 /nfs/dbraw/zinc/07/93/30/192079330.db2.gz PEELVOFBLOKHIN-UHFFFAOYSA-N 0 3 271.364 2.657 20 30 CFEDHN Cn1ncc2c1CCC[C@H]2NCc1ccc(CC#N)cc1 ZINC000573723355 334961223 /nfs/dbraw/zinc/96/12/23/334961223.db2.gz XLIJJOQALMHMRM-MRXNPFEDSA-N 0 3 280.375 2.653 20 30 CFEDHN Cc1ncsc1CCNCc1ccc(C#N)cc1F ZINC000295129082 199360654 /nfs/dbraw/zinc/36/06/54/199360654.db2.gz YFKVMFIXDMBCSL-UHFFFAOYSA-N 0 3 275.352 2.795 20 30 CFEDHN C=C(C)CN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000029906935 346284397 /nfs/dbraw/zinc/28/43/97/346284397.db2.gz NXMBQYAFJRHTSN-UHFFFAOYSA-N 0 3 288.391 2.922 20 30 CFEDHN CC(C)N(CC(=O)NCc1cccc(C#N)c1)C1CCCC1 ZINC000341937767 535038050 /nfs/dbraw/zinc/03/80/50/535038050.db2.gz CFNICCSPMLCLTJ-UHFFFAOYSA-N 0 3 299.418 2.827 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCCCC1 ZINC000043999948 346388647 /nfs/dbraw/zinc/38/86/47/346388647.db2.gz YOUVPMJRMVXVND-RHSMWYFYSA-N 0 3 293.455 2.941 20 30 CFEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)CC(C)C ZINC000046064815 346419117 /nfs/dbraw/zinc/41/91/17/346419117.db2.gz UMCVBGWSTXUTKM-UHFFFAOYSA-N 0 3 287.407 2.911 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000050028373 346488764 /nfs/dbraw/zinc/48/87/64/346488764.db2.gz WOQHYHJDKLIHPX-GOSISDBHSA-N 0 3 296.414 2.599 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1 ZINC000596675773 349973082 /nfs/dbraw/zinc/97/30/82/349973082.db2.gz ZNWVHLIWUYVARX-BBRMVZONSA-N 0 3 287.407 2.518 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000052660034 346526784 /nfs/dbraw/zinc/52/67/84/346526784.db2.gz RAVRGJYXTYPHMW-IBGZPJMESA-N 0 3 291.398 2.922 20 30 CFEDHN CN(CCCC#N)CCOc1ccccc1Cl ZINC000052711275 346527287 /nfs/dbraw/zinc/52/72/87/346527287.db2.gz VQTQLHMXYWFOOY-UHFFFAOYSA-N 0 3 252.745 2.954 20 30 CFEDHN N#Cc1cc(Cl)ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000052858090 346530309 /nfs/dbraw/zinc/53/03/09/346530309.db2.gz MCAWNBJMVBDCTE-GFCCVEGCSA-N 0 3 261.756 2.860 20 30 CFEDHN C=CCNC(=O)CN(CCC(C)C)CCC(C)C ZINC000052872045 346531349 /nfs/dbraw/zinc/53/13/49/346531349.db2.gz JVEFDNUROITTFH-UHFFFAOYSA-N 0 3 254.418 2.683 20 30 CFEDHN C=C(C)CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000053136438 346539129 /nfs/dbraw/zinc/53/91/29/346539129.db2.gz LJAOQSUFDHQOOW-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)C1CCCCCC1 ZINC000053906680 346553692 /nfs/dbraw/zinc/55/36/92/346553692.db2.gz HFLQTOVFSPNFQG-UHFFFAOYSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCN(CCCN1CCCC1=O)Cc1ccccc1 ZINC000064140888 346716027 /nfs/dbraw/zinc/71/60/27/346716027.db2.gz JYVNPVMLCAGNKR-UHFFFAOYSA-N 0 3 272.392 2.687 20 30 CFEDHN Cc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N2CCCC2)cc1 ZINC000061502661 346678873 /nfs/dbraw/zinc/67/88/73/346678873.db2.gz XASKCITYGRFWNY-MRXNPFEDSA-N 0 3 299.418 2.798 20 30 CFEDHN N#CC1(NC(=O)CN(C2CC2)C2CCCC2)CCCCC1 ZINC000064808340 346726334 /nfs/dbraw/zinc/72/63/34/346726334.db2.gz MUSRWWDWLACIKW-UHFFFAOYSA-N 0 3 289.423 2.736 20 30 CFEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCCC1 ZINC000061757198 346682988 /nfs/dbraw/zinc/68/29/88/346682988.db2.gz BABJRHZOAXTTHZ-UHFFFAOYSA-N 0 3 291.439 2.936 20 30 CFEDHN C=CCN(CC=C)C(=O)NCCN(C)Cc1ccccc1 ZINC000065541960 346735766 /nfs/dbraw/zinc/73/57/66/346735766.db2.gz FVFPQQCLAJDUFL-UHFFFAOYSA-N 0 3 287.407 2.502 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)CC(C)C)cc1OC ZINC000067224236 346795451 /nfs/dbraw/zinc/79/54/51/346795451.db2.gz OTPJOSBGDGDLEM-OAHLLOKOSA-N 0 3 293.407 2.757 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)C2(C#N)CCCC2)N(C)C)cc1 ZINC000067268355 346796091 /nfs/dbraw/zinc/79/60/91/346796091.db2.gz ALSCZPXHCBOSQZ-INIZCTEOSA-N 0 3 299.418 2.798 20 30 CFEDHN CC1CCN(CCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000067351268 346799498 /nfs/dbraw/zinc/79/94/98/346799498.db2.gz ZSKRNUQPCFSFCH-UHFFFAOYSA-N 0 3 278.787 2.750 20 30 CFEDHN C=CCCCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000076733946 347149657 /nfs/dbraw/zinc/14/96/57/347149657.db2.gz MNOQGCDTQOXHCI-INIZCTEOSA-N 0 3 283.375 2.562 20 30 CFEDHN C=CCCCN(C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000076734719 347150130 /nfs/dbraw/zinc/15/01/30/347150130.db2.gz DQFBDGFPBBBHBX-KBPBESRZSA-N 0 3 252.402 2.674 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1cccc(F)c1C#N ZINC000076776146 347152486 /nfs/dbraw/zinc/15/24/86/347152486.db2.gz XSCMHISBXGUFDK-GFCCVEGCSA-N 0 3 261.344 2.984 20 30 CFEDHN N#Cc1c(CN2CCC3(C2)CCOCC3)cn2ccccc12 ZINC000076157600 347126921 /nfs/dbraw/zinc/12/69/21/347126921.db2.gz SYTLKPAIEWVLPP-UHFFFAOYSA-N 0 3 295.386 2.813 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000090117592 347544233 /nfs/dbraw/zinc/54/42/33/347544233.db2.gz WBBSLPYOMKOCIY-GDBMZVCRSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(Cc2cccnc2)CC1 ZINC000089268649 347514370 /nfs/dbraw/zinc/51/43/70/347514370.db2.gz ADDXEGNKBPFZPT-INIZCTEOSA-N 0 3 273.424 2.944 20 30 CFEDHN CN(C)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000090998062 347564596 /nfs/dbraw/zinc/56/45/96/347564596.db2.gz LHBNBTDMPFQQOZ-UHFFFAOYSA-N 0 3 274.755 2.733 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1Cc1cnc2ccc(C#N)cn12 ZINC000091937544 347603901 /nfs/dbraw/zinc/60/39/01/347603901.db2.gz JQUMFFFWCKCQEQ-VXGBXAGGSA-N 0 3 254.337 2.579 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1Cc1cnc2ccc(C#N)cn12 ZINC000091937542 347604520 /nfs/dbraw/zinc/60/45/20/347604520.db2.gz JQUMFFFWCKCQEQ-TXEJJXNPSA-N 0 3 254.337 2.579 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(Cc2cc(C)no2)CC1 ZINC000091506396 347591070 /nfs/dbraw/zinc/59/10/70/347591070.db2.gz MKLSVFWHGCOQFC-OAHLLOKOSA-N 0 3 277.412 2.845 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(Cc2cc(C)no2)CC1 ZINC000091506393 347591335 /nfs/dbraw/zinc/59/13/35/347591335.db2.gz MKLSVFWHGCOQFC-HNNXBMFYSA-N 0 3 277.412 2.845 20 30 CFEDHN CC(C)(CCC#N)CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000093766917 347682905 /nfs/dbraw/zinc/68/29/05/347682905.db2.gz WFAWBJIEZLKFOP-GFCCVEGCSA-N 0 3 292.345 2.952 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC2(CCCCC2)CC1 ZINC000102410675 347718244 /nfs/dbraw/zinc/71/82/44/347718244.db2.gz GDYPMMUHTUGWON-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000121546453 347811960 /nfs/dbraw/zinc/81/19/60/347811960.db2.gz ITGWJLSIQOKUHL-INIZCTEOSA-N 0 3 271.360 2.697 20 30 CFEDHN COc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1C#N ZINC000134997489 347902883 /nfs/dbraw/zinc/90/28/83/347902883.db2.gz XZDUMJWOWVNJSL-AWEZNQCLSA-N 0 3 296.374 2.670 20 30 CFEDHN CC1(C)CCC(O)(CNCc2ccc(C#N)o2)CC1 ZINC000161075337 348023355 /nfs/dbraw/zinc/02/33/55/348023355.db2.gz ONMPTNMUEYULRX-UHFFFAOYSA-N 0 3 262.353 2.572 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)CCC(C)C)CC1 ZINC000171560290 348077890 /nfs/dbraw/zinc/07/78/90/348077890.db2.gz TXJBGLCEKLMICY-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN COC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000166224988 348041321 /nfs/dbraw/zinc/04/13/21/348041321.db2.gz SBROXNBZNZYBGF-MRXNPFEDSA-N 0 3 286.375 2.784 20 30 CFEDHN CC[C@@H](CC#N)N[C@H]1CCc2c(cccc2OC)C1 ZINC000190526339 348135501 /nfs/dbraw/zinc/13/55/01/348135501.db2.gz KYFBTTJDFWWRIJ-KBPBESRZSA-N 0 3 258.365 2.834 20 30 CFEDHN COc1cc(CNCC2(CO)CCCCC2)ccc1C#N ZINC000234905216 348223465 /nfs/dbraw/zinc/22/34/65/348223465.db2.gz HPNLUVCYWVUAIW-UHFFFAOYSA-N 0 3 288.391 2.599 20 30 CFEDHN N#Cc1cccc(CNC[C@H](O)CC2CCCC2)c1 ZINC000232129226 348210376 /nfs/dbraw/zinc/21/03/76/348210376.db2.gz MJNKASQNJLWFQZ-MRXNPFEDSA-N 0 3 258.365 2.589 20 30 CFEDHN CCN1CCN(CCCCC(C)(C)C#N)C[C@H]1C ZINC000300120464 348366554 /nfs/dbraw/zinc/36/65/54/348366554.db2.gz OVHNHLAXQHSFHZ-CQSZACIVSA-N 0 3 251.418 2.732 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1c1cccc(F)c1C#N ZINC000300554104 348368853 /nfs/dbraw/zinc/36/88/53/348368853.db2.gz XGWJFYXBHCZTRJ-GFCCVEGCSA-N 0 3 261.344 2.618 20 30 CFEDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293549325 348362720 /nfs/dbraw/zinc/36/27/20/348362720.db2.gz RBRBPDWFJBMIMC-AEFFLSMTSA-N 0 3 299.418 2.647 20 30 CFEDHN CN(CCc1nc(-c2ccccc2)no1)[C@@H]1CC[C@H](C#N)C1 ZINC000293567713 348362892 /nfs/dbraw/zinc/36/28/92/348362892.db2.gz MTWZEQYQXJJINU-DZGCQCFKSA-N 0 3 296.374 2.903 20 30 CFEDHN N#Cc1cccc(NC(=O)[C@H](N)CC2CCCCC2)c1 ZINC000312793943 348419907 /nfs/dbraw/zinc/41/99/07/348419907.db2.gz PURUPRDRDWXXJO-OAHLLOKOSA-N 0 3 271.364 2.794 20 30 CFEDHN N#Cc1ncc(C(F)(F)F)cc1NCCN1CCCCC1 ZINC000413050870 233011231 /nfs/dbraw/zinc/01/12/31/233011231.db2.gz FEXMZPNELOXWNF-UHFFFAOYSA-N 0 3 298.312 2.870 20 30 CFEDHN Cc1ccnc(NCCN2CCCC[C@H]2C)c1C#N ZINC000273360447 192126141 /nfs/dbraw/zinc/12/61/41/192126141.db2.gz QQCLNVKKQCMYQB-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN CCN1CCCN(c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000320592329 348436975 /nfs/dbraw/zinc/43/69/75/348436975.db2.gz VZIPCVWPXIGZKA-LBPRGKRZSA-N 0 3 261.344 2.618 20 30 CFEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000314639199 348426872 /nfs/dbraw/zinc/42/68/72/348426872.db2.gz ZUIZTROLVRZGGN-PBHICJAKSA-N 0 3 296.370 2.649 20 30 CFEDHN CC(C#N)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000335998914 348450334 /nfs/dbraw/zinc/45/03/34/348450334.db2.gz BPCMDHVFTDEBKR-LBPRGKRZSA-N 0 3 279.343 2.943 20 30 CFEDHN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)C(C)C#N ZINC000335999255 348450469 /nfs/dbraw/zinc/45/04/69/348450469.db2.gz MCBGKMOPCPLUAR-XHDPSFHLSA-N 0 3 272.348 2.691 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(c2cccc(OC)c2)CC1 ZINC000364848652 348510447 /nfs/dbraw/zinc/51/04/47/348510447.db2.gz CGDQLPUSXDVCNR-AWEZNQCLSA-N 0 3 287.407 2.946 20 30 CFEDHN CC[C@H](C#N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388174760 348537688 /nfs/dbraw/zinc/53/76/88/348537688.db2.gz LHWPXEBBWYXIGB-SJORKVTESA-N 0 3 299.418 2.659 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000424063279 348609854 /nfs/dbraw/zinc/60/98/54/348609854.db2.gz MEIVXZYQNHMVEJ-OAHLLOKOSA-N 0 3 293.370 2.898 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000424063275 348609864 /nfs/dbraw/zinc/60/98/64/348609864.db2.gz MEIVXZYQNHMVEJ-HNNXBMFYSA-N 0 3 293.370 2.898 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C)[C@H]1CCCOC1 ZINC000402689166 348582604 /nfs/dbraw/zinc/58/26/04/348582604.db2.gz AVOSMRYBFLNSJV-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN COC(=O)C[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000399217818 348568741 /nfs/dbraw/zinc/56/87/41/348568741.db2.gz JLGLWKCBJWLBCM-INIZCTEOSA-N 0 3 286.375 2.670 20 30 CFEDHN C#C[C@H](NCc1cn(-c2ccncc2)nc1C)C(C)(C)C ZINC000491656446 348629877 /nfs/dbraw/zinc/62/98/77/348629877.db2.gz SNOOUKAOXBLDAA-INIZCTEOSA-N 0 3 282.391 2.713 20 30 CFEDHN C#C[C@@H](NCc1cn(-c2ccncc2)nc1C)C(C)(C)C ZINC000491656447 348629895 /nfs/dbraw/zinc/62/98/95/348629895.db2.gz SNOOUKAOXBLDAA-MRXNPFEDSA-N 0 3 282.391 2.713 20 30 CFEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)CC2(CCC2)O1 ZINC000579953960 348672689 /nfs/dbraw/zinc/67/26/89/348672689.db2.gz VMAXGMVHSQSJTH-HNNXBMFYSA-N 0 3 292.423 2.730 20 30 CFEDHN CCN1CCN(c2cc(C#N)nc3ccccc32)[C@H](C)C1 ZINC000588068879 348770385 /nfs/dbraw/zinc/77/03/85/348770385.db2.gz LBLUYSPAWKMMHA-CYBMUJFWSA-N 0 3 280.375 2.637 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)CCCCCC#N ZINC000588765795 348795367 /nfs/dbraw/zinc/79/53/67/348795367.db2.gz IHYGBKMFQAUNLY-UHFFFAOYSA-N 0 3 279.428 2.795 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc(C#N)n2)c1 ZINC000589466365 348834510 /nfs/dbraw/zinc/83/45/10/348834510.db2.gz FTDIVZOGUBHQBV-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)CCCCCC#N ZINC000588951514 348805432 /nfs/dbraw/zinc/80/54/32/348805432.db2.gz AXUSEDVKVCQCGM-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)CC1(C#N)CC1 ZINC000590313876 348892404 /nfs/dbraw/zinc/89/24/04/348892404.db2.gz OAXOHKJRQRIAQA-UHFFFAOYSA-N 0 3 299.418 2.707 20 30 CFEDHN N#CCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000589696349 348852215 /nfs/dbraw/zinc/85/22/15/348852215.db2.gz ZTEIDEUGYRCQOR-QGZVFWFLSA-N 0 3 299.418 2.709 20 30 CFEDHN C[C@@H](CN1CCN(c2cnccc2C#N)CC1)C(C)(C)C ZINC000590053338 348871604 /nfs/dbraw/zinc/87/16/04/348871604.db2.gz ZJABFJJOWOWJLK-AWEZNQCLSA-N 0 3 286.423 2.757 20 30 CFEDHN C[C@@H]1CN(c2cc(C#N)nc3ccccc32)C[C@H](C)N1C ZINC000590146276 348878652 /nfs/dbraw/zinc/87/86/52/348878652.db2.gz JTKJUHKSPWWWFL-BETUJISGSA-N 0 3 280.375 2.635 20 30 CFEDHN CCOc1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000590169756 348882385 /nfs/dbraw/zinc/88/23/85/348882385.db2.gz GIWCAPYUISGLKC-CYBMUJFWSA-N 0 3 262.353 2.666 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(C#N)CC2)C1 ZINC000590174335 348882759 /nfs/dbraw/zinc/88/27/59/348882759.db2.gz MWWMWFCQBHKQBL-GDBMZVCRSA-N 0 3 297.402 2.632 20 30 CFEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@@H](O)C(F)F ZINC000590779139 348947977 /nfs/dbraw/zinc/94/79/77/348947977.db2.gz GKTNPSZKFABTBU-SOUVJXGZSA-N 0 3 294.345 2.930 20 30 CFEDHN C[C@H]1C[C@H](NCCc2cccc(C#N)c2)c2nccn21 ZINC000590778643 348947995 /nfs/dbraw/zinc/94/79/95/348947995.db2.gz XRBWDUTUBXPZJI-WFASDCNBSA-N 0 3 266.348 2.593 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000590752447 348942562 /nfs/dbraw/zinc/94/25/62/348942562.db2.gz TYCQUWRGSONSCP-OCCSQVGLSA-N 0 3 292.766 2.643 20 30 CFEDHN C[C@@]12CN(Cc3ccnc(C#N)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000590753789 348942668 /nfs/dbraw/zinc/94/26/68/348942668.db2.gz PLTPHNBTPHQBPA-WTTBNOFXSA-N 0 3 265.360 2.597 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2c2nc(C#N)c(Cl)s2)C1 ZINC000590583556 348911631 /nfs/dbraw/zinc/91/16/31/348911631.db2.gz YUXVYHIYGRYHBE-GXSJLCMTSA-N 0 3 296.827 2.589 20 30 CFEDHN COCCN(Cc1ccco1)C[C@H](C)CCC#N ZINC000590593854 348912442 /nfs/dbraw/zinc/91/24/42/348912442.db2.gz XSEKRTITORKWSK-CYBMUJFWSA-N 0 3 250.342 2.668 20 30 CFEDHN CC1(C#N)CCC(NCc2nnc3n2CCCCC3)CC1 ZINC000590642177 348919530 /nfs/dbraw/zinc/91/95/30/348919530.db2.gz ADRGEAUPHPHKEP-UHFFFAOYSA-N 0 3 287.411 2.567 20 30 CFEDHN CN(C)c1nc(CNC2CCC(C)(C#N)CC2)cs1 ZINC000590646451 348920176 /nfs/dbraw/zinc/92/01/76/348920176.db2.gz JNAWNTYRDVGSMV-UHFFFAOYSA-N 0 3 278.425 2.771 20 30 CFEDHN COC(=O)c1ccc(CN(C)[C@H](C)CCC#N)cc1 ZINC000591016800 348978592 /nfs/dbraw/zinc/97/85/92/348978592.db2.gz GYRIWFQSROXENE-GFCCVEGCSA-N 0 3 260.337 2.597 20 30 CFEDHN C[C@@H](N[C@H]1COC(C)(C)C1)c1ccc(C#N)cc1F ZINC000591356392 349011708 /nfs/dbraw/zinc/01/17/08/349011708.db2.gz PFICEJAVHKPQBN-ZYHUDNBSSA-N 0 3 262.328 2.915 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N3CCNC[C@](C)(F)C3)c2c1 ZINC000591442118 349022709 /nfs/dbraw/zinc/02/27/09/349022709.db2.gz CXVHQPQUBSLKPC-KRWDZBQOSA-N 0 3 298.365 2.553 20 30 CFEDHN COC(=O)C1(CNCc2ccc(C#N)c(F)c2)CCCC1 ZINC000591502716 349027469 /nfs/dbraw/zinc/02/74/69/349027469.db2.gz PEMQRSCKUSWFFA-UHFFFAOYSA-N 0 3 290.338 2.520 20 30 CFEDHN CC1(C)CN(Cc2ccncc2C#N)[C@@H]2CCC[C@@H]21 ZINC000592123151 349087276 /nfs/dbraw/zinc/08/72/76/349087276.db2.gz XRCBCAJJVMRJSF-LSDHHAIUSA-N 0 3 255.365 2.964 20 30 CFEDHN Cn1cc(-c2cc(CN3CCC(CCC#N)CC3)on2)cn1 ZINC000592135143 349089010 /nfs/dbraw/zinc/08/90/10/349089010.db2.gz AMYKSGMTFVAQPQ-UHFFFAOYSA-N 0 3 299.378 2.591 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130940 349089513 /nfs/dbraw/zinc/08/95/13/349089513.db2.gz NJLINPCMTUSXOD-ZDUSSCGKSA-N 0 3 285.382 2.732 20 30 CFEDHN C[C@H]1CC2(CN1Cc1ccccc1C#N)CCOCC2 ZINC000592182965 349095973 /nfs/dbraw/zinc/09/59/73/349095973.db2.gz FIVZAMKPLZGECV-AWEZNQCLSA-N 0 3 270.376 2.949 20 30 CFEDHN CCCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000592211700 349101718 /nfs/dbraw/zinc/10/17/18/349101718.db2.gz LCBGPLFRXKSPJP-HNNXBMFYSA-N 0 3 286.379 2.506 20 30 CFEDHN Cc1nc2ccccc2c(N2CC[C@@](O)(CC#N)C2)c1C ZINC000591973107 349067657 /nfs/dbraw/zinc/06/76/57/349067657.db2.gz BEEUPMZBKHEKSU-KRWDZBQOSA-N 0 3 281.359 2.707 20 30 CFEDHN CC[C@@H](C)C[C@@H](CO)NCc1ccc(C#N)s1 ZINC000592374438 349111282 /nfs/dbraw/zinc/11/12/82/349111282.db2.gz GVHJLYZIVNGHDG-MNOVXSKESA-N 0 3 252.383 2.506 20 30 CFEDHN CC[C@@H](C)C[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000592374380 349111292 /nfs/dbraw/zinc/11/12/92/349111292.db2.gz CZGLKEVGADDUJS-RISCZKNCSA-N 0 3 264.344 2.584 20 30 CFEDHN Cc1cccc2nc(CCNCc3ccc(C#N)s3)cn21 ZINC000592380547 349112828 /nfs/dbraw/zinc/11/28/28/349112828.db2.gz VZLNKHKXPYOMBS-UHFFFAOYSA-N 0 3 296.399 2.908 20 30 CFEDHN CCCN(Cc1ccc(C#N)s1)[C@H]1CCN(C)C1 ZINC000592521163 349131585 /nfs/dbraw/zinc/13/15/85/349131585.db2.gz VMUYNUQIEJNYNV-LBPRGKRZSA-N 0 3 263.410 2.536 20 30 CFEDHN CC[C@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592523314 349133650 /nfs/dbraw/zinc/13/36/50/349133650.db2.gz YFBVOFRYQZEZFA-GDBMZVCRSA-N 0 3 258.365 2.531 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C2(O)CC2)CC1 ZINC000593051006 349194251 /nfs/dbraw/zinc/19/42/51/349194251.db2.gz RIKNRBKHCJGJJG-CYBMUJFWSA-N 0 3 270.376 2.856 20 30 CFEDHN CC[C@@H]1COC(C)(C)CN1CCCSCC#N ZINC000593057322 349197316 /nfs/dbraw/zinc/19/73/16/349197316.db2.gz SWIUZIRJVOWPNL-GFCCVEGCSA-N 0 3 256.415 2.523 20 30 CFEDHN CC[C@@H]1CN(CCCSCC#N)[C@@H](CC)CO1 ZINC000593059731 349197592 /nfs/dbraw/zinc/19/75/92/349197592.db2.gz SNSYFVGRQYEFOI-QWHCGFSZSA-N 0 3 256.415 2.523 20 30 CFEDHN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](CC)CO1 ZINC000593060095 349198728 /nfs/dbraw/zinc/19/87/28/349198728.db2.gz XSWIBWCTMUGMIM-JKSUJKDBSA-N 0 3 294.439 2.976 20 30 CFEDHN CCN(Cc1ccc(C#N)c(C)c1)[C@@H]1CCCOC1 ZINC000593071905 349201669 /nfs/dbraw/zinc/20/16/69/349201669.db2.gz VYYHZVFXTVTIPJ-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN C[C@@H]1C[C@@H]1c1noc(CC2CCN(CCCC#N)CC2)n1 ZINC000593075587 349202339 /nfs/dbraw/zinc/20/23/39/349202339.db2.gz CXMJKIUDOHZQKZ-OCCSQVGLSA-N 0 3 288.395 2.751 20 30 CFEDHN N#Cc1ccc(N2CC[C@@H](NC3(C4CCC4)CC3)C2=O)cc1 ZINC000593080232 349203284 /nfs/dbraw/zinc/20/32/84/349203284.db2.gz KIZILWFEFIAHJC-MRXNPFEDSA-N 0 3 295.386 2.586 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C2(CCC2)CO1 ZINC000593091624 349206507 /nfs/dbraw/zinc/20/65/07/349206507.db2.gz JBEGIOUYUUANSJ-CYBMUJFWSA-N 0 3 250.386 2.960 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1NC1CCC1 ZINC000593917204 349335021 /nfs/dbraw/zinc/33/50/21/349335021.db2.gz WOQVLMJXWLXLEK-ZDUSSCGKSA-N 0 3 286.379 2.611 20 30 CFEDHN C[C@H](COCC1CC1)NCc1ccc(C#N)c(F)c1 ZINC000593682178 349309298 /nfs/dbraw/zinc/30/92/98/349309298.db2.gz PQOGXLJRIPUDBX-LLVKDONJSA-N 0 3 262.328 2.602 20 30 CFEDHN CCC(C#N)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000593748386 349320198 /nfs/dbraw/zinc/32/01/98/349320198.db2.gz YKPOMQQKXXLLHZ-UPJWGTAASA-N 0 3 294.395 2.505 20 30 CFEDHN N#CCCCCCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594194947 349392835 /nfs/dbraw/zinc/39/28/35/349392835.db2.gz BKAZGTOLHHJVPX-CABCVRRESA-N 0 3 277.412 2.594 20 30 CFEDHN N#CCCCCCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594194950 349393025 /nfs/dbraw/zinc/39/30/25/349393025.db2.gz BKAZGTOLHHJVPX-LSDHHAIUSA-N 0 3 277.412 2.594 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1CC1CCCC1 ZINC000594052919 349365453 /nfs/dbraw/zinc/36/54/53/349365453.db2.gz JHRZWOBAPPXVAV-INIZCTEOSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1CCCCCC1 ZINC000594156195 349386805 /nfs/dbraw/zinc/38/68/05/349386805.db2.gz UZRDICRZUJGOEN-CQSZACIVSA-N 0 3 297.402 2.665 20 30 CFEDHN Cc1oc2ccccc2c1CNC(=O)[C@@H](N)CCCCC#N ZINC000594443867 349423393 /nfs/dbraw/zinc/42/33/93/349423393.db2.gz WBOLYGPGEHASIJ-HNNXBMFYSA-N 0 3 299.374 2.769 20 30 CFEDHN CC1(C)CCC(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594443151 349423401 /nfs/dbraw/zinc/42/34/01/349423401.db2.gz MDWYMLVJHDIPEK-CQSZACIVSA-N 0 3 279.428 2.730 20 30 CFEDHN Cc1ccc([C@@H](C)CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594443418 349423558 /nfs/dbraw/zinc/42/35/58/349423558.db2.gz HFNUSQXCOLDQKH-GOEBONIOSA-N 0 3 287.407 2.626 20 30 CFEDHN CC(C)[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594447851 349424241 /nfs/dbraw/zinc/42/42/41/349424241.db2.gz VXVNHVFPOTWYRD-HUUCEWRRSA-N 0 3 279.428 2.682 20 30 CFEDHN CN(CC1(c2ccccc2)CC1)C(=O)[C@H](N)CCCCC#N ZINC000594446274 349424791 /nfs/dbraw/zinc/42/47/91/349424791.db2.gz OVWFXPYTSDMPAY-MRXNPFEDSA-N 0 3 299.418 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287.407 2.911 20 30 CFEDHN Cc1ccc([C@@H](NC(=O)[C@H](N)CCCCC#N)C2CC2)cc1 ZINC000594428982 349419418 /nfs/dbraw/zinc/41/94/18/349419418.db2.gz PYWUCISOOLKXIP-IAGOWNOFSA-N 0 3 299.418 2.974 20 30 CFEDHN C[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594429875 349419652 /nfs/dbraw/zinc/41/96/52/349419652.db2.gz XPRCOIGDCMRBRJ-DZGCQCFKSA-N 0 3 285.391 2.938 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1cccc(C)c1 ZINC000594430297 349420669 /nfs/dbraw/zinc/42/06/69/349420669.db2.gz YVAGVCPVKCRPPJ-HNNXBMFYSA-N 0 3 273.380 2.759 20 30 CFEDHN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594434991 349421533 /nfs/dbraw/zinc/42/15/33/349421533.db2.gz YFXGMISOUGGYJG-RBSFLKMASA-N 0 3 279.428 2.729 20 30 CFEDHN CCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597131756 350035576 /nfs/dbraw/zinc/03/55/76/350035576.db2.gz WNZOBHRQYJDTGN-HNNXBMFYSA-N 0 3 283.419 2.768 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)N1C ZINC000597136105 350036058 /nfs/dbraw/zinc/03/60/58/350036058.db2.gz RCKGGDAHMGWPPM-GASCZTMLSA-N 0 3 283.419 2.766 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597144889 350037917 /nfs/dbraw/zinc/03/79/17/350037917.db2.gz OIAZKTQTNKGLGG-GFCCVEGCSA-N 0 3 297.782 2.543 20 30 CFEDHN C=CCCSCCNCc1ccc(C(=O)OC)cc1 ZINC000597185794 350047329 /nfs/dbraw/zinc/04/73/29/350047329.db2.gz XDSOMRFBGHGRTL-UHFFFAOYSA-N 0 3 279.405 2.872 20 30 CFEDHN C=CCC1(NCc2cn(C)nc2C(=O)OCC)CCCC1 ZINC000597224769 350063092 /nfs/dbraw/zinc/06/30/92/350063092.db2.gz JUNFRGBEVISZHH-UHFFFAOYSA-N 0 3 291.395 2.575 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000597530008 350108806 /nfs/dbraw/zinc/10/88/06/350108806.db2.gz AIAKCKSHTUAPSH-PBHICJAKSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](CC#N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000597328040 350084359 /nfs/dbraw/zinc/08/43/59/350084359.db2.gz IWLNZPSXWYNHKH-WBVHZDCISA-N 0 3 299.418 2.659 20 30 CFEDHN COc1cc(CN[C@H](C)[C@](C)(OC)C2CC2)ccc1C#N ZINC000414503296 233274936 /nfs/dbraw/zinc/27/49/36/233274936.db2.gz 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XWQQXDWMNLRQEI-CABCVRRESA-N 0 3 278.421 2.665 20 30 CFEDHN CCN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCN(CC)C1 ZINC000598038640 350182104 /nfs/dbraw/zinc/18/21/04/350182104.db2.gz FPHPNWXHFUDJTF-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C#N)C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000598063674 350183535 /nfs/dbraw/zinc/18/35/35/350183535.db2.gz FFQJAMRDOQYKIX-MRVPVSSYSA-N 0 3 299.157 2.743 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000598263179 350225991 /nfs/dbraw/zinc/22/59/91/350225991.db2.gz PWPUHQZGFDULGH-HNNXBMFYSA-N 0 3 299.418 2.717 20 30 CFEDHN C[C@H](C(=O)NCC1(C#N)CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000598308166 350231266 /nfs/dbraw/zinc/23/12/66/350231266.db2.gz DQEKVYCDBQSPBD-QLFBSQMISA-N 0 3 291.439 2.838 20 30 CFEDHN CCCN1CC[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000598344092 350240954 /nfs/dbraw/zinc/24/09/54/350240954.db2.gz ZUCVKBMBZQPONW-IAGOWNOFSA-N 0 3 299.418 2.674 20 30 CFEDHN CCN(C(=O)c1ccc(CN2CCCC2)cc1)[C@H](C)C#N ZINC000598354685 350244934 /nfs/dbraw/zinc/24/49/34/350244934.db2.gz ZEGQJXAJCOEBAP-CQSZACIVSA-N 0 3 285.391 2.657 20 30 CFEDHN C=CCN(C[C@@H](O)Cn1cnc2cc(C)c(C)cc21)C1CC1 ZINC000271351696 191090694 /nfs/dbraw/zinc/09/06/94/191090694.db2.gz DFVWJDKXYPYWRW-MRXNPFEDSA-N 0 3 299.418 2.664 20 30 CFEDHN CC(C#N)C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC000598577895 350284914 /nfs/dbraw/zinc/28/49/14/350284914.db2.gz NDCABVJRPINRCU-MLGOLLRUSA-N 0 3 256.349 2.630 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000598583820 350285214 /nfs/dbraw/zinc/28/52/14/350285214.db2.gz DRWMTBAHHKMDHU-QWRGUYRKSA-N 0 3 278.318 2.561 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000598426130 350267508 /nfs/dbraw/zinc/26/75/08/350267508.db2.gz YCSUFLWHKLKJKB-BXKDBHETSA-N 0 3 293.164 2.882 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647931 350301009 /nfs/dbraw/zinc/30/10/09/350301009.db2.gz QEYMJBRZIIKQML-DVOMOZLQSA-N 0 3 258.365 2.570 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](CO)C1 ZINC000598651824 350303139 /nfs/dbraw/zinc/30/31/39/350303139.db2.gz WGBTYRKQBYVZNM-IOASZLSFSA-N 0 3 258.365 2.570 20 30 CFEDHN N#Cc1ccc(CNCC[C@H]2CC2(F)F)c(F)c1 ZINC000598650473 350303417 /nfs/dbraw/zinc/30/34/17/350303417.db2.gz YHYKUDYBULTWAF-NSHDSACASA-N 0 3 254.255 2.832 20 30 CFEDHN CSc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598699206 350311823 /nfs/dbraw/zinc/31/18/23/350311823.db2.gz CUEINFVENUCCTQ-CYBMUJFWSA-N 0 3 278.421 2.799 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1cccc(Cl)c1 ZINC000598704143 350313448 /nfs/dbraw/zinc/31/34/48/350313448.db2.gz MBKXMIPBXBVOQK-ZDUSSCGKSA-N 0 3 266.772 2.730 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1Cl ZINC000598704159 350313560 /nfs/dbraw/zinc/31/35/60/350313560.db2.gz MEAAEKJULKHCQV-GFCCVEGCSA-N 0 3 266.772 2.730 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1nc2ccccc2s1 ZINC000598703869 350313740 /nfs/dbraw/zinc/31/37/40/350313740.db2.gz JRLPGKFODFHLOR-NSHDSACASA-N 0 3 289.404 2.687 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc2ccccc2n1 ZINC000598715390 350316041 /nfs/dbraw/zinc/31/60/41/350316041.db2.gz POMXFMVUFHWYDJ-OAHLLOKOSA-N 0 3 283.375 2.625 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CSc2ccccc21 ZINC000598720258 350317735 /nfs/dbraw/zinc/31/77/35/350317735.db2.gz NPMXCVSHDOKNJD-WCQYABFASA-N 0 3 276.405 2.724 20 30 CFEDHN Cc1ccc(CN(C[C@@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598586391 350286214 /nfs/dbraw/zinc/28/62/14/350286214.db2.gz SOIUDIZIJKGJME-AWEZNQCLSA-N 0 3 276.380 2.853 20 30 CFEDHN C[C@H]1c2ccsc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598588008 350287571 /nfs/dbraw/zinc/28/75/71/350287571.db2.gz WZNQXOIRIKYQQD-NWDGAFQWSA-N 0 3 278.421 2.968 20 30 CFEDHN CN(Cc1ccc(F)c(F)c1)C[C@H](O)CC(C)(C)C#N ZINC000598591052 350287670 /nfs/dbraw/zinc/28/76/70/350287670.db2.gz YQJFLABLXXQAIP-GFCCVEGCSA-N 0 3 282.334 2.697 20 30 CFEDHN C[C@@H]1Cc2ccccc2CN1C[C@@H](O)CC(C)(C)C#N ZINC000598592372 350288516 /nfs/dbraw/zinc/28/85/16/350288516.db2.gz KCRIDFNQCVPYNZ-CJNGLKHVSA-N 0 3 272.392 2.734 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598594236 350289154 /nfs/dbraw/zinc/28/91/54/350289154.db2.gz ZZOKJULYVAJDPQ-GDBMZVCRSA-N 0 3 287.407 2.828 20 30 CFEDHN COc1cccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598600202 350291212 /nfs/dbraw/zinc/29/12/12/350291212.db2.gz ICWUMJJHLPFVJA-JSGCOSHPSA-N 0 3 276.380 2.647 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598599933 350291299 /nfs/dbraw/zinc/29/12/99/350291299.db2.gz LKBVNUZYHFIVQQ-PWSUYJOCSA-N 0 3 282.334 2.916 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(F)c1F ZINC000598601917 350291918 /nfs/dbraw/zinc/29/19/18/350291918.db2.gz QISCWZKXVFGMOU-WDEREUQCSA-N 0 3 282.334 2.916 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(F)c1F ZINC000598601915 350292027 /nfs/dbraw/zinc/29/20/27/350292027.db2.gz QISCWZKXVFGMOU-MNOVXSKESA-N 0 3 282.334 2.916 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(CC(F)(F)F)CC1 ZINC000598613430 350293794 /nfs/dbraw/zinc/29/37/94/350293794.db2.gz GTXPLUAIRWKULF-GFCCVEGCSA-N 0 3 292.345 2.952 20 30 CFEDHN C[C@H]1CN(C[C@H](O)CC(C)(C)C#N)Cc2ccccc2O1 ZINC000598618941 350294973 /nfs/dbraw/zinc/29/49/73/350294973.db2.gz SPDVKXDDEWISKR-DZGCQCFKSA-N 0 3 288.391 2.570 20 30 CFEDHN Cn1ncc(C(F)(F)F)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000599058886 350367558 /nfs/dbraw/zinc/36/75/58/350367558.db2.gz HIWAGCOHSPGHGH-UWVGGRQHSA-N 0 3 286.301 2.611 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1CC1(F)F ZINC000598908467 350346275 /nfs/dbraw/zinc/34/62/75/350346275.db2.gz DYXDKHOAPAOGPV-UONOGXRCSA-N 0 3 292.329 2.920 20 30 CFEDHN CCOC(=O)c1[nH]c(C)c(CNCC2(CC#N)CC2)c1C ZINC000598973639 350351728 /nfs/dbraw/zinc/35/17/28/350351728.db2.gz DPAVRQBYTRJCSE-UHFFFAOYSA-N 0 3 289.379 2.592 20 30 CFEDHN CC1(C)OC[C@H]2C[C@]21NCc1ccc(C2(C#N)CC2)cc1 ZINC000598988655 350354771 /nfs/dbraw/zinc/35/47/71/350354771.db2.gz UOIWFZSAQUMRTL-QAPCUYQASA-N 0 3 282.387 2.899 20 30 CFEDHN CCC[C@@H](CNCc1ccc(C#N)s1)OCC ZINC000598989547 350354857 /nfs/dbraw/zinc/35/48/57/350354857.db2.gz LLGBUKLSKIGZFU-NSHDSACASA-N 0 3 252.383 2.915 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000599013905 350358907 /nfs/dbraw/zinc/35/89/07/350358907.db2.gz AQWXWAXTHGDPCR-HAQNSBGRSA-N 0 3 284.281 2.844 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc[nH]c1=O ZINC000599086922 350374078 /nfs/dbraw/zinc/37/40/78/350374078.db2.gz BIPWEXGBGVYUGZ-INIZCTEOSA-N 0 3 279.343 2.826 20 30 CFEDHN COCC#CCN1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000677820728 539795306 /nfs/dbraw/zinc/79/53/06/539795306.db2.gz UBONMGKXMHXJEZ-WBVHZDCISA-N 0 3 257.377 2.589 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000599147416 350384766 /nfs/dbraw/zinc/38/47/66/350384766.db2.gz OCAUFNSVBDZVBV-UONOGXRCSA-N 0 3 279.428 2.553 20 30 CFEDHN Cc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1C#N ZINC000599319624 350413555 /nfs/dbraw/zinc/41/35/55/350413555.db2.gz OQJHNAMVOUWUMN-HOTGVXAUSA-N 0 3 288.416 2.573 20 30 CFEDHN Cc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1C#N ZINC000599329716 350415266 /nfs/dbraw/zinc/41/52/66/350415266.db2.gz PFTHAAJMFZWHGI-QGZVFWFLSA-N 0 3 269.392 2.537 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000599337253 350417622 /nfs/dbraw/zinc/41/76/22/350417622.db2.gz YJNLGBLFTBOUMY-CZUORRHYSA-N 0 3 258.365 2.602 20 30 CFEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599344896 350419719 /nfs/dbraw/zinc/41/97/19/350419719.db2.gz KDAJYMVRYVANMX-CMPLNLGQSA-N 0 3 280.318 2.670 20 30 CFEDHN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599344187 350419853 /nfs/dbraw/zinc/41/98/53/350419853.db2.gz ADZQSUFCGVBIQQ-CMPLNLGQSA-N 0 3 280.318 2.670 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599350434 350420865 /nfs/dbraw/zinc/42/08/65/350420865.db2.gz SGARPBMKDYDANI-ZIAGYGMSSA-N 0 3 288.391 2.709 20 30 CFEDHN Cc1ccc(CN2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1C#N ZINC000599383901 350428546 /nfs/dbraw/zinc/42/85/46/350428546.db2.gz HOZVVKUBDUTXPH-QEORTHHSSA-N 0 3 272.392 2.848 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2C[C@H](C)O)cc1C#N ZINC000599393851 350430525 /nfs/dbraw/zinc/43/05/25/350430525.db2.gz SPWLRUATWQYKLH-YOEHRIQHSA-N 0 3 272.392 2.992 20 30 CFEDHN Cc1ccc(CN(C)CC2=CCSC2)cc1C#N ZINC000599477659 350443631 /nfs/dbraw/zinc/44/36/31/350443631.db2.gz IXLLRFUETBHFAD-UHFFFAOYSA-N 0 3 258.390 2.972 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000599526937 350450299 /nfs/dbraw/zinc/45/02/99/350450299.db2.gz XMPYPXZNXNTHIL-GFCCVEGCSA-N 0 3 263.337 2.773 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000599530394 350451360 /nfs/dbraw/zinc/45/13/60/350451360.db2.gz WDJCOUONDPVWFR-GFCCVEGCSA-N 0 3 271.320 2.864 20 30 CFEDHN C[C@@H]1CN(CCCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583215 350460258 /nfs/dbraw/zinc/46/02/58/350460258.db2.gz QNDWNAOQAZXHRS-OLZOCXBDSA-N 0 3 266.385 2.590 20 30 CFEDHN C[C@H]1CN(CCCCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590191 350461622 /nfs/dbraw/zinc/46/16/22/350461622.db2.gz VSTFRUFQIVFPRI-KBPBESRZSA-N 0 3 280.412 2.980 20 30 CFEDHN C=C(CC)CN1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599665101 350475937 /nfs/dbraw/zinc/47/59/37/350475937.db2.gz GUGLCSXRIITFRU-OAHLLOKOSA-N 0 3 259.349 2.725 20 30 CFEDHN CCOC(=O)c1cccc(CNCC(C)(C)CCC#N)n1 ZINC000600169946 350529513 /nfs/dbraw/zinc/52/95/13/350529513.db2.gz ZGVGBZQEAIFVOP-UHFFFAOYSA-N 0 3 289.379 2.678 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000600184871 350533612 /nfs/dbraw/zinc/53/36/12/350533612.db2.gz HZBWOVXWLODOFB-ZDUSSCGKSA-N 0 3 266.348 2.604 20 30 CFEDHN C=CC(C)(C)CCNCc1cccc(C(=O)OCC)n1 ZINC000600183101 350533788 /nfs/dbraw/zinc/53/37/88/350533788.db2.gz CZQMMJQYNTZZBU-UHFFFAOYSA-N 0 3 276.380 2.950 20 30 CFEDHN C=CC[C@@H](CC)NCc1cccc(C(=O)OCC)n1 ZINC000600158753 350524109 /nfs/dbraw/zinc/52/41/09/350524109.db2.gz MFSOVWDHWCXGQX-GFCCVEGCSA-N 0 3 262.353 2.703 20 30 CFEDHN Cc1ccc(CN2CCc3ccccc3[C@@H]2CN)cc1C#N ZINC000600711624 350599927 /nfs/dbraw/zinc/59/99/27/350599927.db2.gz SRRXMSUMWSNMHF-IBGZPJMESA-N 0 3 291.398 2.925 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)CN(C)C1CCC1 ZINC000600823171 350617561 /nfs/dbraw/zinc/61/75/61/350617561.db2.gz JZMDIFYMWIHQNJ-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)o1 ZINC000271389423 191112401 /nfs/dbraw/zinc/11/24/01/191112401.db2.gz STTSUBMFZLXAPO-LBPRGKRZSA-N 0 3 297.362 2.526 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)o1 ZINC000271389423 191112404 /nfs/dbraw/zinc/11/24/04/191112404.db2.gz STTSUBMFZLXAPO-LBPRGKRZSA-N 0 3 297.362 2.526 20 30 CFEDHN CC(C)[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000109462044 186253476 /nfs/dbraw/zinc/25/34/76/186253476.db2.gz ZQFXGYAOLGNWBW-HNNXBMFYSA-N 0 3 271.364 2.617 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2c1cccc2Cl ZINC000600804767 350615156 /nfs/dbraw/zinc/61/51/56/350615156.db2.gz MELZDIHVIJPIHI-VIFPVBQESA-N 0 3 275.739 2.640 20 30 CFEDHN C[C@H](CNC(=O)c1ccccc1CC#N)N1CCCC[C@@H]1C ZINC000600997317 350643203 /nfs/dbraw/zinc/64/32/03/350643203.db2.gz WKKSPHRXVGCJIV-LSDHHAIUSA-N 0 3 299.418 2.745 20 30 CFEDHN C[C@@H](CNC(=O)c1ccccc1CC#N)N1CCCC[C@H]1C ZINC000600997314 350643234 /nfs/dbraw/zinc/64/32/34/350643234.db2.gz WKKSPHRXVGCJIV-CABCVRRESA-N 0 3 299.418 2.745 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](Nc3ncccc3C#N)C2)cc1 ZINC000601249367 350709043 /nfs/dbraw/zinc/70/90/43/350709043.db2.gz CBOUCNAJUFVBFI-QGZVFWFLSA-N 0 3 292.386 2.948 20 30 CFEDHN Cc1ccc(CN2CC[C@H](Nc3ncccc3C#N)C2)cc1 ZINC000601249366 350709130 /nfs/dbraw/zinc/70/91/30/350709130.db2.gz CBOUCNAJUFVBFI-KRWDZBQOSA-N 0 3 292.386 2.948 20 30 CFEDHN CCOC(=O)C1(C)CC(NCc2ccc(C#N)c(F)c2)C1 ZINC000601279457 350716621 /nfs/dbraw/zinc/71/66/21/350716621.db2.gz WZMZSWJIMUBXRP-UHFFFAOYSA-N 0 3 290.338 2.519 20 30 CFEDHN N#Cc1ccc(OCCN[C@H]2CCCc3ncccc32)cc1 ZINC000601271765 350713847 /nfs/dbraw/zinc/71/38/47/350713847.db2.gz RQZQPBXXYNDOAT-SFHVURJKSA-N 0 3 293.370 2.999 20 30 CFEDHN C[C@@](CO)(Cc1ccccc1F)NCc1cccc(C#N)c1 ZINC000601152103 350682837 /nfs/dbraw/zinc/68/28/37/350682837.db2.gz ANZUXVRHJXOLFT-SFHVURJKSA-N 0 3 298.361 2.781 20 30 CFEDHN Cc1cc(CN[C@@H]2C[C@H]2C(F)(F)F)ccc1C#N ZINC000601160792 350685323 /nfs/dbraw/zinc/68/53/23/350685323.db2.gz ZSGHLBIWSUXIEA-VXGBXAGGSA-N 0 3 254.255 2.907 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCCC23CC3)cc1 ZINC000601704911 350765144 /nfs/dbraw/zinc/76/51/44/350765144.db2.gz MYFIYRZZOITNIA-CVEARBPZSA-N 0 3 293.370 2.689 20 30 CFEDHN CCC[C@@H](CCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000601289065 350717698 /nfs/dbraw/zinc/71/76/98/350717698.db2.gz HFIWIKALLXEYOQ-YPMHNXCESA-N 0 3 264.344 2.899 20 30 CFEDHN CCC[C@H](CCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000601289063 350717907 /nfs/dbraw/zinc/71/79/07/350717907.db2.gz HFIWIKALLXEYOQ-DGCLKSJQSA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)[C@@H](C)O1 ZINC000601298442 350719100 /nfs/dbraw/zinc/71/91/00/350719100.db2.gz HXZPNYRVBCRMPO-XYPYXGAPSA-N 0 3 256.349 2.701 20 30 CFEDHN CC[C@H](Cc1ccccc1)N1CCN(CCC#N)CC1 ZINC000601314671 350721676 /nfs/dbraw/zinc/72/16/76/350721676.db2.gz NHGZTZXKROAJRI-QGZVFWFLSA-N 0 3 271.408 2.539 20 30 CFEDHN N#Cc1ccc(CN(C[C@H]2CCOC2)C2CC2)s1 ZINC000130023173 187466044 /nfs/dbraw/zinc/46/60/44/187466044.db2.gz INTFEZNCGUHGNV-LLVKDONJSA-N 0 3 262.378 2.621 20 30 CFEDHN Cc1ccc2oc(CNC[C@H](O)CC3(C#N)CC3)cc2c1 ZINC000601957245 350818915 /nfs/dbraw/zinc/81/89/15/350818915.db2.gz FTAWAAHBBXLKMB-CQSZACIVSA-N 0 3 284.359 2.886 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000601807176 350779863 /nfs/dbraw/zinc/77/98/63/350779863.db2.gz HKBMJTFHDFHSII-JKSUJKDBSA-N 0 3 285.391 2.512 20 30 CFEDHN Cc1ccc(CN2CC[C@H](NC(=O)CCCCC#N)C2)cc1 ZINC000601884423 350798106 /nfs/dbraw/zinc/79/81/06/350798106.db2.gz YEATYMPHMHQALT-KRWDZBQOSA-N 0 3 299.418 2.770 20 30 CFEDHN CC[C@H](CNCc1cccc(F)c1C#N)N1CCCC1 ZINC000602007809 350829224 /nfs/dbraw/zinc/82/92/24/350829224.db2.gz YDMOHCLWDGYINX-CQSZACIVSA-N 0 3 275.371 2.661 20 30 CFEDHN C[C@H]1CCC[C@@](C#N)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC000602100777 350840728 /nfs/dbraw/zinc/84/07/28/350840728.db2.gz DBWKAAJYNPPMPE-XJKSGUPXSA-N 0 3 279.428 2.553 20 30 CFEDHN CN(C)CCOc1cccc(NCc2cccc(C#N)n2)c1 ZINC000602491287 350904711 /nfs/dbraw/zinc/90/47/11/350904711.db2.gz KBBQIPUGQQYCOP-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cccc(C#N)n1)C(C)C ZINC000602510009 350909742 /nfs/dbraw/zinc/90/97/42/350909742.db2.gz ICIJFDWXKHEHBI-SFHVURJKSA-N 0 3 298.434 2.741 20 30 CFEDHN C[C@H](NC1CCC(C#N)CC1)c1nnc2n1CCCCC2 ZINC000602511629 350910533 /nfs/dbraw/zinc/91/05/33/350910533.db2.gz PFWRNRASFPLRGB-HSBZDZAISA-N 0 3 287.411 2.737 20 30 CFEDHN CC(C)Cc1ccccc1CNC(=O)[C@@H](N)CCCC#N ZINC000602531378 350916057 /nfs/dbraw/zinc/91/60/57/350916057.db2.gz HVEFIQZTLULIMJ-INIZCTEOSA-N 0 3 287.407 2.522 20 30 CFEDHN COc1nc(C)cc(C)c1CNC1CCC(C#N)CC1 ZINC000602533700 350916662 /nfs/dbraw/zinc/91/66/62/350916662.db2.gz QZUHLKRVSGYRJE-UHFFFAOYSA-N 0 3 273.380 2.879 20 30 CFEDHN Cc1ccn2cc(CNC3CCC(C#N)CC3)nc2c1 ZINC000602547298 350919894 /nfs/dbraw/zinc/91/98/94/350919894.db2.gz BYWRJVMGBYOUJQ-UHFFFAOYSA-N 0 3 268.364 2.815 20 30 CFEDHN Cc1ccn2cc(CNC[C@H](C)CCC#N)nc2c1 ZINC000602553612 350922201 /nfs/dbraw/zinc/92/22/01/350922201.db2.gz VPMLCWIYWOMKBJ-CYBMUJFWSA-N 0 3 256.353 2.672 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)Oc1ccc(F)cc1 ZINC000602559889 350924091 /nfs/dbraw/zinc/92/40/91/350924091.db2.gz JEQYRNMMXHMPET-LBPRGKRZSA-N 0 3 285.322 2.649 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCCC2 ZINC000602562058 350925081 /nfs/dbraw/zinc/92/50/81/350925081.db2.gz VONZMBCMIQJXKD-CVEARBPZSA-N 0 3 285.391 2.781 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCOc3ccccc32)n1 ZINC000602568073 350927546 /nfs/dbraw/zinc/92/75/46/350927546.db2.gz VXMXDNLARCJAML-CYBMUJFWSA-N 0 3 279.343 2.609 20 30 CFEDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc(C#N)n1 ZINC000602580771 350932915 /nfs/dbraw/zinc/93/29/15/350932915.db2.gz GHNKRLYZPOOYRK-PXAZEXFGSA-N 0 3 299.349 2.958 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C2CCCCC2)CC1 ZINC000602438583 350882635 /nfs/dbraw/zinc/88/26/35/350882635.db2.gz SDKXXNGGMUBARO-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN CCC[C@H](CN[C@H]1CCc2cc(C#N)ccc21)OC ZINC000602641998 350958080 /nfs/dbraw/zinc/95/80/80/350958080.db2.gz WVIMJTNENWWYGJ-ZBFHGGJFSA-N 0 3 258.365 2.950 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000602651382 350962272 /nfs/dbraw/zinc/96/22/72/350962272.db2.gz IGCYPLSRETXXPS-WMZOPIPTSA-N 0 3 285.435 2.785 20 30 CFEDHN CC(C)(CNCc1cccc(C#N)n1)C(F)(F)F ZINC000602656667 350963768 /nfs/dbraw/zinc/96/37/68/350963768.db2.gz CVYZYXFFKBWHJV-UHFFFAOYSA-N 0 3 257.259 2.631 20 30 CFEDHN COC(=O)CCCCCNCc1cccc(F)c1C#N ZINC000602660103 350965366 /nfs/dbraw/zinc/96/53/66/350965366.db2.gz YPTDMBPWPFTVCV-UHFFFAOYSA-N 0 3 278.327 2.520 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cnn2ccccc12 ZINC000602664897 350967166 /nfs/dbraw/zinc/96/71/66/350967166.db2.gz WLJMAIRJNWFRLB-CQSZACIVSA-N 0 3 298.390 2.523 20 30 CFEDHN CC1(C)CN(Cc2cccc(C#N)n2)[C@@H]2CCC[C@@H]21 ZINC000602675719 350972886 /nfs/dbraw/zinc/97/28/86/350972886.db2.gz ISGYIIJLVWQNEH-LSDHHAIUSA-N 0 3 255.365 2.964 20 30 CFEDHN C[C@H](CCC#N)CNc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000602677000 350973776 /nfs/dbraw/zinc/97/37/76/350973776.db2.gz PHSYCOUAGKNJIV-RHSMWYFYSA-N 0 3 287.407 2.605 20 30 CFEDHN Cc1cc(C)c(CN[C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602681829 350975926 /nfs/dbraw/zinc/97/59/26/350975926.db2.gz NAACYRVMJRIQTI-OAHLLOKOSA-N 0 3 287.407 2.887 20 30 CFEDHN C[C@H](CCC#N)CN1CC(N(C)Cc2ccccc2)C1 ZINC000602690544 350980224 /nfs/dbraw/zinc/98/02/24/350980224.db2.gz NXNFQFVWRJVNMO-OAHLLOKOSA-N 0 3 271.408 2.742 20 30 CFEDHN CN(C)Cc1ccc(NCc2cccc(C#N)n2)c(F)c1 ZINC000602691339 350981723 /nfs/dbraw/zinc/98/17/23/350981723.db2.gz RTXIFBVHSMJERL-UHFFFAOYSA-N 0 3 284.338 2.766 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](CCO)c1ccccc1F ZINC000602696879 350984644 /nfs/dbraw/zinc/98/46/44/350984644.db2.gz LIURQWRGSIZLFO-IUODEOHRSA-N 0 3 264.344 2.779 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CC3CCC2CC3)n1 ZINC000602699484 350985617 /nfs/dbraw/zinc/98/56/17/350985617.db2.gz GQALHMJQIYZRLS-RUXDESIVSA-N 0 3 255.365 2.869 20 30 CFEDHN N#CC1(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000602699299 350986075 /nfs/dbraw/zinc/98/60/75/350986075.db2.gz MCZNUHDMFBHQEO-IHRRRGAJSA-N 0 3 260.381 2.618 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CC3CCC2CC3)n1 ZINC000602699483 350986203 /nfs/dbraw/zinc/98/62/03/350986203.db2.gz GQALHMJQIYZRLS-JXQTWKCFSA-N 0 3 255.365 2.869 20 30 CFEDHN CC(C)(C#N)CNC[C@H]1CCN(c2ccccc2)C1 ZINC000602608154 350943526 /nfs/dbraw/zinc/94/35/26/350943526.db2.gz QAHRFCQGUXLPCP-CQSZACIVSA-N 0 3 257.381 2.652 20 30 CFEDHN CCOC(=O)[C@@H](CC)N(C[C@@H](C)CCC#N)C1CC1 ZINC000602629213 350952646 /nfs/dbraw/zinc/95/26/46/350952646.db2.gz FQZZBFOZCYPFOW-GXTWGEPZSA-N 0 3 266.385 2.732 20 30 CFEDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC2(CC#N)CC2)C1 ZINC000602767284 351018348 /nfs/dbraw/zinc/01/83/48/351018348.db2.gz CXSFLVUWNCVBNA-CABCVRRESA-N 0 3 291.439 2.697 20 30 CFEDHN COc1ccc(OCCN(C)CC2(CC#N)CC2)cc1 ZINC000602767963 351019147 /nfs/dbraw/zinc/01/91/47/351019147.db2.gz PMOLDLNGBFOOOC-UHFFFAOYSA-N 0 3 274.364 2.700 20 30 CFEDHN COC(=O)[C@H](C)[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602792232 351026922 /nfs/dbraw/zinc/02/69/22/351026922.db2.gz IPURCMSBMGLFSH-UKRRQHHQSA-N 0 3 286.375 2.820 20 30 CFEDHN CC(C)n1cnnc1[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602795283 351028112 /nfs/dbraw/zinc/02/81/12/351028112.db2.gz HPWWMYNYAAXKNR-AWEZNQCLSA-N 0 3 287.411 2.732 20 30 CFEDHN COc1cccc(C2(NCC3(CC#N)CC3)CC2)c1 ZINC000602808358 351034109 /nfs/dbraw/zinc/03/41/09/351034109.db2.gz YHEYUVTXSSDMHT-UHFFFAOYSA-N 0 3 256.349 2.968 20 30 CFEDHN C[C@@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)C[C@@H](C)N1CC#N ZINC000602849230 351044104 /nfs/dbraw/zinc/04/41/04/351044104.db2.gz KFUAZRFCLQSBRU-LMSBXDPUSA-N 0 3 283.419 2.708 20 30 CFEDHN CCc1ccc(CCN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855560 351046838 /nfs/dbraw/zinc/04/68/38/351046838.db2.gz ICLFJBZNVNNJQQ-HOTGVXAUSA-N 0 3 285.435 2.710 20 30 CFEDHN CC(C)CSCCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855117 351046883 /nfs/dbraw/zinc/04/68/83/351046883.db2.gz SDWBVHNOLIDPQO-GASCZTMLSA-N 0 3 283.485 2.684 20 30 CFEDHN Cc1ccccc1CCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865447 351052184 /nfs/dbraw/zinc/05/21/84/351052184.db2.gz SXDQBHYPSLGURA-IRXDYDNUSA-N 0 3 285.435 2.846 20 30 CFEDHN COC(=O)[C@@H]1CN(CC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000602871603 351054030 /nfs/dbraw/zinc/05/40/30/351054030.db2.gz QZKNNJLUOAJAPJ-JKSUJKDBSA-N 0 3 298.386 2.569 20 30 CFEDHN N#CCC1(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000602886729 351058525 /nfs/dbraw/zinc/05/85/25/351058525.db2.gz DDAKTPXMRCGIKZ-DLBZAZTESA-N 0 3 284.403 2.778 20 30 CFEDHN Cc1cc(CN2CCC=C(c3cnn(C)c3)C2)ccc1C#N ZINC000602884483 351058619 /nfs/dbraw/zinc/05/86/19/351058619.db2.gz UUPZWYUTMCWDAW-UHFFFAOYSA-N 0 3 292.386 2.890 20 30 CFEDHN CN(c1ccccc1)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602904265 351061230 /nfs/dbraw/zinc/06/12/30/351061230.db2.gz VSQJUYSNMRNOQZ-INIZCTEOSA-N 0 3 269.392 2.891 20 30 CFEDHN N#Cc1ccc(C2CCN(Cc3cccc(N)c3)CC2)nc1 ZINC000602906346 351062259 /nfs/dbraw/zinc/06/22/59/351062259.db2.gz FSJYJPANJIALFV-UHFFFAOYSA-N 0 3 292.386 2.915 20 30 CFEDHN CC1=CCC[C@H](C)[C@H]1CN1CCN(CCC#N)CC1 ZINC000602748698 351013229 /nfs/dbraw/zinc/01/32/29/351013229.db2.gz QTRHUEWYXDVEJQ-HOTGVXAUSA-N 0 3 261.413 2.510 20 30 CFEDHN N#Cc1ccc(Cn2cc(CNC3CCCCC3)nn2)cc1 ZINC000603162147 351114089 /nfs/dbraw/zinc/11/40/89/351114089.db2.gz OPRICRKUOOGKGH-UHFFFAOYSA-N 0 3 295.390 2.620 20 30 CFEDHN N#C[C@H](c1ccccc1)n1cc(CNC2CCCCC2)nn1 ZINC000603220171 351120336 /nfs/dbraw/zinc/12/03/36/351120336.db2.gz DBQNVKRKIHNBON-QGZVFWFLSA-N 0 3 295.390 2.813 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)n1cc(CNC2CCCC2)nn1 ZINC000603227676 351121575 /nfs/dbraw/zinc/12/15/75/351121575.db2.gz NSYSVLBBWDZGTK-ZDUSSCGKSA-N 0 3 295.390 2.791 20 30 CFEDHN CCC[C@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603228000 351121957 /nfs/dbraw/zinc/12/19/57/351121957.db2.gz YEKUVCITEWUYQE-ZDUSSCGKSA-N 0 3 289.770 2.651 20 30 CFEDHN CCC[C@H](N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603233240 351123208 /nfs/dbraw/zinc/12/32/08/351123208.db2.gz IUHBAGPGMMJSIJ-FZMZJTMJSA-N 0 3 269.352 2.559 20 30 CFEDHN CCn1nc(C)c(CN(C)CCCSCC#N)c1C ZINC000602926045 351068036 /nfs/dbraw/zinc/06/80/36/351068036.db2.gz NZVCYCFJFPLPFO-UHFFFAOYSA-N 0 3 280.441 2.599 20 30 CFEDHN Cc1cnn(CCCCCN(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602978755 351079736 /nfs/dbraw/zinc/07/97/36/351079736.db2.gz WBSHZIHCYDFMAK-HZPDHXFCSA-N 0 3 274.412 2.986 20 30 CFEDHN CC[C@]1(O)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000602983698 351084443 /nfs/dbraw/zinc/08/44/43/351084443.db2.gz QPGXRYWEVRKVIF-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997882 351089011 /nfs/dbraw/zinc/08/90/11/351089011.db2.gz SMLLWJFSMISKAC-ZACQAIPSSA-N 0 3 270.376 2.684 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C2CCC2)CC1 ZINC000603000006 351089621 /nfs/dbraw/zinc/08/96/21/351089621.db2.gz RAVQICXLPZSYCP-GOEBONIOSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(F)F ZINC000603428336 351162495 /nfs/dbraw/zinc/16/24/95/351162495.db2.gz IGJYJRXDMBUPDC-GFCCVEGCSA-N 0 3 293.361 2.766 20 30 CFEDHN C=CCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000605151761 351239883 /nfs/dbraw/zinc/23/98/83/351239883.db2.gz DXWFRRPWDSLDCT-LBPRGKRZSA-N 0 3 259.271 2.689 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000605738787 351257078 /nfs/dbraw/zinc/25/70/78/351257078.db2.gz XOFCYOSWSDIILA-RBSFLKMASA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(F)ccc1F ZINC000609574700 351508989 /nfs/dbraw/zinc/50/89/89/351508989.db2.gz ZXQQSDVFSVRIEB-NSHDSACASA-N 0 3 279.334 2.603 20 30 CFEDHN CCC[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000608815926 351474685 /nfs/dbraw/zinc/47/46/85/351474685.db2.gz PQTXQIURRGOEMF-DLBZAZTESA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@](CO)(NCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000609799721 351520871 /nfs/dbraw/zinc/52/08/71/351520871.db2.gz FMPJGONRQLYPDI-CYBMUJFWSA-N 0 3 286.297 2.806 20 30 CFEDHN CCCC(=O)NC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822924 351521947 /nfs/dbraw/zinc/52/19/47/351521947.db2.gz UMLYGDZVXBQYJX-AWEZNQCLSA-N 0 3 299.418 3.000 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CCC2)C1 ZINC000609856404 351523030 /nfs/dbraw/zinc/52/30/30/351523030.db2.gz OTUPVAOPIZHSSY-GDBMZVCRSA-N 0 3 297.402 2.632 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc2ccccc2n1 ZINC000610813712 351612284 /nfs/dbraw/zinc/61/22/84/351612284.db2.gz QKZAODAEKSFOGQ-AWEZNQCLSA-N 0 3 294.402 2.873 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000610813705 351612570 /nfs/dbraw/zinc/61/25/70/351612570.db2.gz QEWITPSFEWYWEH-NSHDSACASA-N 0 3 279.334 2.603 20 30 CFEDHN CC(C)(NCCCCC#N)C(=O)Nc1ccccc1 ZINC000610844332 351613411 /nfs/dbraw/zinc/61/34/11/351613411.db2.gz IRXNXKGAERQFNM-UHFFFAOYSA-N 0 3 259.353 2.687 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000610812465 351610475 /nfs/dbraw/zinc/61/04/75/351610475.db2.gz DIAUVFFVOGWQGM-DZGCQCFKSA-N 0 3 262.328 2.602 20 30 CFEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@H]3CCC[C@H]3C2)C(N)=O)cc1 ZINC000610342665 351555980 /nfs/dbraw/zinc/55/59/80/351555980.db2.gz VMOAWPDSLGGPEE-XBVQOTNRSA-N 0 3 297.402 2.643 20 30 CFEDHN N#Cc1cccc(CNC(=O)CN2C3CCCC2CCC3)c1 ZINC000610370025 351561022 /nfs/dbraw/zinc/56/10/22/351561022.db2.gz OXNZHVPXWFGRRR-UHFFFAOYSA-N 0 3 297.402 2.581 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN(C)C1CCC1 ZINC000610392459 351562425 /nfs/dbraw/zinc/56/24/25/351562425.db2.gz RRMSPBPUYJDTHS-UHFFFAOYSA-N 0 3 299.418 2.780 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccnc(C#N)c2)C1 ZINC000610994966 351632390 /nfs/dbraw/zinc/63/23/90/351632390.db2.gz OZSPDPVHIBBIQU-CXAGYDPISA-N 0 3 287.407 2.620 20 30 CFEDHN C#Cc1cccc(N(CC)C(=O)CC2CCN(C)CC2)c1 ZINC000291462975 198029087 /nfs/dbraw/zinc/02/90/87/198029087.db2.gz IJNIMTBEFJJLGY-UHFFFAOYSA-N 0 3 284.403 2.753 20 30 CFEDHN N#CCCCOc1cccc(CN(CCCO)C2CC2)c1 ZINC000611271618 351661340 /nfs/dbraw/zinc/66/13/40/351661340.db2.gz SUEHTBGLPSNMID-UHFFFAOYSA-N 0 3 288.391 2.716 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCN2CCN(CCC#N)CC2)C1 ZINC000611175256 351646727 /nfs/dbraw/zinc/64/67/27/351646727.db2.gz ZDWHGBZZGRLWMN-CVEARBPZSA-N 0 3 263.429 2.734 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C(F)F)C1 ZINC000611180462 351648708 /nfs/dbraw/zinc/64/87/08/351648708.db2.gz XXCXVSWDXBDCPX-GFCCVEGCSA-N 0 3 296.317 2.533 20 30 CFEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000611392585 351680555 /nfs/dbraw/zinc/68/05/55/351680555.db2.gz WTVCQRZYEZXOCT-BLLLJJGKSA-N 0 3 299.418 2.828 20 30 CFEDHN CC(C)(C)NC(=O)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611394056 351681080 /nfs/dbraw/zinc/68/10/80/351681080.db2.gz ALZPUBYWEKILJP-INIZCTEOSA-N 0 3 299.418 2.830 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1nc(C#N)ccc1C ZINC000611399657 351683104 /nfs/dbraw/zinc/68/31/04/351683104.db2.gz ZPHYUVREUHEPPX-CQSZACIVSA-N 0 3 258.369 2.548 20 30 CFEDHN Cc1noc(C)c1[C@H](C)NCCOc1ccccc1C#N ZINC000611409168 351684008 /nfs/dbraw/zinc/68/40/08/351684008.db2.gz WBMAOUQSMXLOHJ-NSHDSACASA-N 0 3 285.347 2.893 20 30 CFEDHN CN1CC[C@@H]2CCN(c3cc(C#N)nc4ccccc43)[C@@H]2C1 ZINC000611510200 351701965 /nfs/dbraw/zinc/70/19/65/351701965.db2.gz GCXMWBTXUAAVTB-FZKQIMNGSA-N 0 3 292.386 2.637 20 30 CFEDHN CCC1(O)CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000611314569 351668423 /nfs/dbraw/zinc/66/84/23/351668423.db2.gz JXYSKOHMYYOHQV-UHFFFAOYSA-N 0 3 276.355 2.871 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1F ZINC000611587850 351712302 /nfs/dbraw/zinc/71/23/02/351712302.db2.gz LDOPOMXSVBUZMT-IUODEOHRSA-N 0 3 287.382 2.832 20 30 CFEDHN Cc1ccncc1[C@@H](C)NCCOc1ccccc1C#N ZINC000611940148 351753547 /nfs/dbraw/zinc/75/35/47/351753547.db2.gz VDQUVZUIFONCMI-CQSZACIVSA-N 0 3 281.359 2.991 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000612085723 351772542 /nfs/dbraw/zinc/77/25/42/351772542.db2.gz MXTFXPPOVRYMEF-KOLCDFICSA-N 0 3 278.787 2.810 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000122270675 187023360 /nfs/dbraw/zinc/02/33/60/187023360.db2.gz CBBJFOXBIHRABI-CMPLNLGQSA-N 0 3 286.335 2.504 20 30 CFEDHN C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000612365431 351808043 /nfs/dbraw/zinc/80/80/43/351808043.db2.gz VXFHQWHUDIBCHZ-DOTOQJQBSA-N 0 3 289.423 2.546 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2NCC1=CCN(C)CC1 ZINC000612794618 351862631 /nfs/dbraw/zinc/86/26/31/351862631.db2.gz NJGABYGDILBAHH-UHFFFAOYSA-N 0 3 292.386 2.511 20 30 CFEDHN COCC[C@@H](Cc1cccc(F)c1)NCC(C)(C)C#N ZINC000612879931 351874300 /nfs/dbraw/zinc/87/43/00/351874300.db2.gz SRLFEDWZNMRNGW-HNNXBMFYSA-N 0 3 278.371 2.913 20 30 CFEDHN CCn1nc(C)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1C ZINC000613254759 351925842 /nfs/dbraw/zinc/92/58/42/351925842.db2.gz XNIWMOJUOPJETL-ZIAGYGMSSA-N 0 3 260.385 2.692 20 30 CFEDHN COCCN(CCOC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160025 352054428 /nfs/dbraw/zinc/05/44/28/352054428.db2.gz OTCPNNWTYIXUIO-UHFFFAOYSA-N 0 3 290.407 2.583 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CCCC(C)(C)C)CC1 ZINC000614911499 352131773 /nfs/dbraw/zinc/13/17/73/352131773.db2.gz PRAOGZZOZGAFCJ-OAHLLOKOSA-N 0 3 265.445 2.978 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H]4CCC[C@H]43)o2)c1 ZINC000614600740 352106556 /nfs/dbraw/zinc/10/65/56/352106556.db2.gz IEOPKSVSQZEMAI-DZGCQCFKSA-N 0 3 294.358 2.983 20 30 CFEDHN CC(=O)[C@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000615517255 352201191 /nfs/dbraw/zinc/20/11/91/352201191.db2.gz DCFSPFAIHGHVHP-IAGOWNOFSA-N 0 3 298.386 2.729 20 30 CFEDHN C=CCSCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000292018225 198135973 /nfs/dbraw/zinc/13/59/73/198135973.db2.gz CCZIKQRWGBTCCB-CYBMUJFWSA-N 0 3 280.441 2.935 20 30 CFEDHN C=CCSCCN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292018225 198135975 /nfs/dbraw/zinc/13/59/75/198135975.db2.gz CCZIKQRWGBTCCB-CYBMUJFWSA-N 0 3 280.441 2.935 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC000616125838 352287988 /nfs/dbraw/zinc/28/79/88/352287988.db2.gz INIALMRHRYYIEU-GOSISDBHSA-N 0 3 295.386 2.643 20 30 CFEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(C)nc2)sc1C ZINC000616177123 352295980 /nfs/dbraw/zinc/29/59/80/352295980.db2.gz YQMZXBTWICXPSM-GFCCVEGCSA-N 0 3 286.360 2.709 20 30 CFEDHN C=CCOCCNCc1cc(OC)c(OC)cc1SC ZINC000312596702 539868542 /nfs/dbraw/zinc/86/85/42/539868542.db2.gz OMSYEKUGKASOFP-UHFFFAOYSA-N 0 3 297.420 2.718 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000616775555 352428987 /nfs/dbraw/zinc/42/89/87/352428987.db2.gz CNNZUHGHEGRKSV-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000617039188 352474818 /nfs/dbraw/zinc/47/48/18/352474818.db2.gz DLVLPQHTLUUKPH-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617344203 352545955 /nfs/dbraw/zinc/54/59/55/352545955.db2.gz CSGQCASDLGUEPH-SWLSCSKDSA-N 0 3 252.402 2.578 20 30 CFEDHN C#CCSCCNC1CC(C#N)(c2ccccc2)C1 ZINC000127961729 260370849 /nfs/dbraw/zinc/37/08/49/260370849.db2.gz XEJIYMHRSCWFNK-UHFFFAOYSA-N 0 3 270.401 2.566 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccnc(C#N)c2)[C@@H](C)[C@H]1OC ZINC000617549871 352579370 /nfs/dbraw/zinc/57/93/70/352579370.db2.gz IWUZSFJXGFGXHG-DAXOMENPSA-N 0 3 287.407 2.883 20 30 CFEDHN C=C[C@H](CC(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC000617553185 352581855 /nfs/dbraw/zinc/58/18/55/352581855.db2.gz CALWRIAIINTGGZ-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000617782557 352644854 /nfs/dbraw/zinc/64/48/54/352644854.db2.gz HVXYFURQFNTCGE-SOUVJXGZSA-N 0 3 264.413 2.674 20 30 CFEDHN Cc1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000271595074 191232197 /nfs/dbraw/zinc/23/21/97/191232197.db2.gz HGAZGWHFQMWELV-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)[nH]n1 ZINC000271595074 191232199 /nfs/dbraw/zinc/23/21/99/191232199.db2.gz HGAZGWHFQMWELV-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618808227 352885139 /nfs/dbraw/zinc/88/51/39/352885139.db2.gz ZVELIYLHEPRPTC-IAGOWNOFSA-N 0 3 292.386 2.946 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000618887212 352904361 /nfs/dbraw/zinc/90/43/61/352904361.db2.gz MBYVYIQZMZNDBQ-NVXWUHKLSA-N 0 3 271.408 2.915 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H]2N(C)CCCC2(C)C)n1 ZINC000619158306 352968497 /nfs/dbraw/zinc/96/84/97/352968497.db2.gz RBRLEVFFFZHYAL-CQSZACIVSA-N 0 3 272.396 2.794 20 30 CFEDHN CO[C@H](C)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754538 353063558 /nfs/dbraw/zinc/06/35/58/353063558.db2.gz COFQQZMDNOYILX-NXEZZACHSA-N 0 3 252.745 2.725 20 30 CFEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000619672828 353047960 /nfs/dbraw/zinc/04/79/60/353047960.db2.gz KMZCEIRLUKTVTP-XUJVJEKNSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1 ZINC000153064173 188062563 /nfs/dbraw/zinc/06/25/63/188062563.db2.gz SVENIDMNYRPBTQ-YOEHRIQHSA-N 0 3 292.386 2.883 20 30 CFEDHN C=CCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000153692644 188097538 /nfs/dbraw/zinc/09/75/38/188097538.db2.gz IAGYAVBPGLTMIV-MRXNPFEDSA-N 0 3 287.407 2.651 20 30 CFEDHN CC#CCCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000155061168 188180342 /nfs/dbraw/zinc/18/03/42/188180342.db2.gz PXTUGAFDMJPCGG-QGZVFWFLSA-N 0 3 257.377 2.845 20 30 CFEDHN CC#CCCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000155061275 188180737 /nfs/dbraw/zinc/18/07/37/188180737.db2.gz PXTUGAFDMJPCGG-KRWDZBQOSA-N 0 3 257.377 2.845 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCN[C@@H](C(C)C)C1)c1ccccc1 ZINC000621155411 353288662 /nfs/dbraw/zinc/28/86/62/353288662.db2.gz FVOLFLBFPVSPLJ-DOTOQJQBSA-N 0 3 286.419 2.803 20 30 CFEDHN C[C@H]1C[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301991 290368890 /nfs/dbraw/zinc/36/88/90/290368890.db2.gz RGUDDPHSVXGKLO-QWRGUYRKSA-N 0 3 259.309 2.697 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](O)C23CCCC3)c(F)c1 ZINC000292617932 198352358 /nfs/dbraw/zinc/35/23/58/198352358.db2.gz FWBUIKWXJDTPQQ-OAHLLOKOSA-N 0 3 274.339 2.577 20 30 CFEDHN N#Cc1c(CN2CC[C@H](O)C23CCCC3)cn2ccccc12 ZINC000292628962 198356831 /nfs/dbraw/zinc/35/68/31/198356831.db2.gz GQTZHPSAPFGXPT-KRWDZBQOSA-N 0 3 295.386 2.690 20 30 CFEDHN Cc1nc(NCC2=CCN(C)CC2)c(Cl)cc1C#N ZINC000292675870 198371684 /nfs/dbraw/zinc/37/16/84/198371684.db2.gz QSFNJKOIQQQIHL-UHFFFAOYSA-N 0 3 276.771 2.589 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1 ZINC000621739012 353415229 /nfs/dbraw/zinc/41/52/29/353415229.db2.gz ZMMSIOHNIYQWAW-ZBFHGGJFSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000621738540 353415324 /nfs/dbraw/zinc/41/53/24/353415324.db2.gz JFDFHSLAZHMGFZ-GOEBONIOSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NCCN1CCCC[C@@H]1C ZINC000623461417 353650128 /nfs/dbraw/zinc/65/01/28/353650128.db2.gz KLAKUQOCXFTCNE-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OC)c(OC2CC2)c1 ZINC000623542271 353668592 /nfs/dbraw/zinc/66/85/92/353668592.db2.gz UFRBAFJSUPUPNX-AWEZNQCLSA-N 0 3 291.391 2.653 20 30 CFEDHN C=CCOc1c(Cl)cc(CNC/C=C/CO)cc1OC ZINC000623563534 353672685 /nfs/dbraw/zinc/67/26/85/353672685.db2.gz AYNWPBCEQWOBKT-SNAWJCMRSA-N 0 3 297.782 2.552 20 30 CFEDHN C=CC(C)(C)CCNCc1cn(C(C)(C)C)nn1 ZINC000623593246 353680568 /nfs/dbraw/zinc/68/05/68/353680568.db2.gz ZZXYLERAZSASCZ-UHFFFAOYSA-N 0 3 250.390 2.725 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000623601407 353682649 /nfs/dbraw/zinc/68/26/49/353682649.db2.gz CGWOWDHTPZGDGT-BZUAXINKSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000623708482 353709268 /nfs/dbraw/zinc/70/92/68/353709268.db2.gz KQCAUKDDPSVUTE-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623964931 353770252 /nfs/dbraw/zinc/77/02/52/353770252.db2.gz UXMZNCGRPRZOAW-OAHLLOKOSA-N 0 3 279.428 2.659 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C(F)F)o2)CC1 ZINC000625323146 354021886 /nfs/dbraw/zinc/02/18/86/354021886.db2.gz PNZGZPLYIWNJMN-UHFFFAOYSA-N 0 3 298.333 2.988 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC000625700020 354088039 /nfs/dbraw/zinc/08/80/39/354088039.db2.gz GXUTUOQNBXPUGO-AWEZNQCLSA-N 0 3 258.365 2.832 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccccc2C)C1 ZINC000625702519 354090223 /nfs/dbraw/zinc/09/02/23/354090223.db2.gz GSAVOJBROAJTDI-HNNXBMFYSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000625702828 354090270 /nfs/dbraw/zinc/09/02/70/354090270.db2.gz WZFOQIVIROQGJC-CQSZACIVSA-N 0 3 290.382 2.648 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000625703993 354091105 /nfs/dbraw/zinc/09/11/05/354091105.db2.gz QMNOYCQWXREABG-ZIAGYGMSSA-N 0 3 290.382 2.901 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703991 354091294 /nfs/dbraw/zinc/09/12/94/354091294.db2.gz QMNOYCQWXREABG-UONOGXRCSA-N 0 3 290.382 2.901 20 30 CFEDHN C=C(CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1 ZINC000271728030 191293642 /nfs/dbraw/zinc/29/36/42/191293642.db2.gz RQNJCOGSHHVCMP-HZPDHXFCSA-N 0 3 293.432 2.645 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](c1cccc(C)c1)C(C)C ZINC000625984050 354160674 /nfs/dbraw/zinc/16/06/74/354160674.db2.gz JPGZCKKUOIRVJI-HOCLYGCPSA-N 0 3 274.408 2.972 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000628407014 354580232 /nfs/dbraw/zinc/58/02/32/354580232.db2.gz WVYGWEMMDTXCSD-AWEZNQCLSA-N 0 3 268.364 2.665 20 30 CFEDHN C=CCOc1ccc(CN(C)CC2(C)COC2)cc1OC ZINC000628423499 354584144 /nfs/dbraw/zinc/58/41/44/354584144.db2.gz XREDPJPZYDSQTQ-UHFFFAOYSA-N 0 3 291.391 2.728 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC(C)C1 ZINC001085165951 781933686 /nfs/dbraw/zinc/93/36/86/781933686.db2.gz DBCLFOXOKPVAKC-CCAROEGRSA-N 0 3 284.831 2.802 20 30 CFEDHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000333028946 540061689 /nfs/dbraw/zinc/06/16/89/540061689.db2.gz BTFOJSYWYVESMG-HUBLWGQQSA-N 0 3 265.360 2.917 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000630839415 355194845 /nfs/dbraw/zinc/19/48/45/355194845.db2.gz PRYMTGJZSCFARY-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)cc2)o1 ZINC000271827292 191352797 /nfs/dbraw/zinc/35/27/97/191352797.db2.gz DGMVSNHPLXJMRJ-DOMZBBRYSA-N 0 3 270.332 2.844 20 30 CFEDHN COc1ccc([C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000271850725 191366056 /nfs/dbraw/zinc/36/60/56/191366056.db2.gz RJWBEFJNWHEVAC-UGSOOPFHSA-N 0 3 296.370 2.951 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](CC)c1cccc(OC)c1OC ZINC000631602873 355511226 /nfs/dbraw/zinc/51/12/26/355511226.db2.gz JGKOHXNGMXKSPS-ZFWWWQNUSA-N 0 3 293.407 2.929 20 30 CFEDHN C=CCOCCN[C@H]1CCCOc2c(OC)cccc21 ZINC000631616769 355515701 /nfs/dbraw/zinc/51/57/01/355515701.db2.gz QEWXRIWDQLDXSX-AWEZNQCLSA-N 0 3 277.364 2.701 20 30 CFEDHN CC(=O)CN(C(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000633220378 355831110 /nfs/dbraw/zinc/83/11/10/355831110.db2.gz IVXIHBURUJTRIE-INIZCTEOSA-N 0 3 286.375 2.585 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000633673423 355966658 /nfs/dbraw/zinc/96/66/58/355966658.db2.gz DRHVJVLWMFSQDM-OAHLLOKOSA-N 0 3 276.424 2.866 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634096717 356090587 /nfs/dbraw/zinc/09/05/87/356090587.db2.gz XMGTVPMJIGUYIV-INIZCTEOSA-N 0 3 290.411 2.691 20 30 CFEDHN N#Cc1ccc(CN2CCSC[C@H]2C2CC2)cc1 ZINC000334679230 283142026 /nfs/dbraw/zinc/14/20/26/283142026.db2.gz LYAKHXUIHFPNAM-HNNXBMFYSA-N 0 3 258.390 2.886 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000352852413 283146418 /nfs/dbraw/zinc/14/64/18/283146418.db2.gz JYGPYPNFHDIXDC-GFCCVEGCSA-N 0 3 284.281 2.846 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328757251 202043030 /nfs/dbraw/zinc/04/30/30/202043030.db2.gz UWYDGDMWUAPWHY-GFCCVEGCSA-N 0 3 275.377 2.751 20 30 CFEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000152310132 283213732 /nfs/dbraw/zinc/21/37/32/283213732.db2.gz GITWYDAEZMXMTN-QGZVFWFLSA-N 0 3 278.355 2.792 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](O)C2)cc1Cl ZINC000294771181 199175492 /nfs/dbraw/zinc/17/54/92/199175492.db2.gz FZQNUAZFUFXAEX-TXEJJXNPSA-N 0 3 267.756 2.518 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000294854644 199215669 /nfs/dbraw/zinc/21/56/69/199215669.db2.gz BPEGKFKSTPSSHF-LLVKDONJSA-N 0 3 284.325 2.710 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1nc(C)sc1C ZINC000678775435 540479582 /nfs/dbraw/zinc/47/95/82/540479582.db2.gz RYIVILFAHJLQAF-CABZTGNLSA-N 0 3 254.399 2.595 20 30 CFEDHN C[C@]12CCN(C[C@@H](O)c3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000298195114 200357572 /nfs/dbraw/zinc/35/75/72/200357572.db2.gz BUSVFHTZGUNSKQ-KFWWJZLASA-N 0 3 292.329 2.569 20 30 CFEDHN Cc1cc([C@@](C)(O)CNCc2ccc(C#N)s2)c(C)o1 ZINC000176975164 189017807 /nfs/dbraw/zinc/01/78/07/189017807.db2.gz JSUQNOVNWUBERR-HNNXBMFYSA-N 0 3 290.388 2.827 20 30 CFEDHN CC1(C)[C@@H](NCc2ccc(C#N)s2)[C@H]2CCO[C@@H]21 ZINC000176974788 189018078 /nfs/dbraw/zinc/01/80/78/189018078.db2.gz NTNNXLJOJNLJSQ-AGIUHOORSA-N 0 3 262.378 2.523 20 30 CFEDHN CN(C)CCN(C(=O)c1cc(C#N)cs1)c1ccccc1 ZINC000177002347 189020327 /nfs/dbraw/zinc/02/03/27/189020327.db2.gz USHGPCGCDJMBJT-UHFFFAOYSA-N 0 3 299.399 2.828 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCCOC2)cc1 ZINC000177929652 189079956 /nfs/dbraw/zinc/07/99/56/189079956.db2.gz SFAAQACIAUOFCH-DZGCQCFKSA-N 0 3 259.349 2.528 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@@H](C)COC)cc1OC ZINC000179370318 189189478 /nfs/dbraw/zinc/18/94/78/189189478.db2.gz KAUYORLHXSMEQY-ZDUSSCGKSA-N 0 3 279.380 2.727 20 30 CFEDHN C=C(C)CN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179569455 189203459 /nfs/dbraw/zinc/20/34/59/189203459.db2.gz SSGJZECMYJBUEQ-OAHLLOKOSA-N 0 3 258.365 2.516 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)CCOC ZINC000352818062 540893900 /nfs/dbraw/zinc/89/39/00/540893900.db2.gz SONFXSDZSGMLLL-CYBMUJFWSA-N 0 3 267.369 2.575 20 30 CFEDHN C=CCC[C@@H](NCC(=O)N(C)C1CC1)c1ccccc1 ZINC000180042891 189234350 /nfs/dbraw/zinc/23/43/50/189234350.db2.gz FJWCUPSKYVBAIR-MRXNPFEDSA-N 0 3 272.392 2.904 20 30 CFEDHN COCCCOCCN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000180716659 189271566 /nfs/dbraw/zinc/27/15/66/189271566.db2.gz CQIJLUNWPRORAE-AWEZNQCLSA-N 0 3 276.380 2.604 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CSC ZINC001098971390 781937673 /nfs/dbraw/zinc/93/76/73/781937673.db2.gz NVVRKVYFIWKIKJ-KGLIPLIRSA-N 0 3 298.496 2.778 20 30 CFEDHN CCN1CCC(N(C)c2ccc(Cl)c(C#N)n2)CC1 ZINC000301494851 201029454 /nfs/dbraw/zinc/02/94/54/201029454.db2.gz AFKXBSHYFLYJPA-UHFFFAOYSA-N 0 3 278.787 2.527 20 30 CFEDHN C[C@H]1CCCN(CCNc2ccc(C#N)cc2F)C1 ZINC000301511269 201039414 /nfs/dbraw/zinc/03/94/14/201039414.db2.gz IQFVHRQBMDQQRJ-LBPRGKRZSA-N 0 3 261.344 2.841 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000182546043 189327199 /nfs/dbraw/zinc/32/71/99/189327199.db2.gz LLJKIGYTIOXADX-WBMJQRKESA-N 0 3 276.380 2.623 20 30 CFEDHN CC[C@H](C)[C@@H](C)[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183040508 189344051 /nfs/dbraw/zinc/34/40/51/189344051.db2.gz WCMJWZVGUWQZGR-GXSJLCMTSA-N 0 3 277.368 2.731 20 30 CFEDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000183040508 189344052 /nfs/dbraw/zinc/34/40/52/189344052.db2.gz WCMJWZVGUWQZGR-GXSJLCMTSA-N 0 3 277.368 2.731 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671754184 541085739 /nfs/dbraw/zinc/08/57/39/541085739.db2.gz CRHCGMCVRPUIEE-LLVKDONJSA-N 0 3 276.336 2.777 20 30 CFEDHN CN(C)CCN(CC1CCCCC1)c1ccc(C#N)cn1 ZINC000301749972 201174639 /nfs/dbraw/zinc/17/46/39/201174639.db2.gz AGZVJSNJRKNGRC-UHFFFAOYSA-N 0 3 286.423 2.902 20 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273.376 2.909 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000188917064 189516844 /nfs/dbraw/zinc/51/68/44/189516844.db2.gz NQSHXHOZZYCFKN-AWEZNQCLSA-N 0 3 298.308 2.836 20 30 CFEDHN C[C@H]1COCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000433154144 240112226 /nfs/dbraw/zinc/11/22/26/240112226.db2.gz ADSMDXKRGJXRKZ-GWCFXTLKSA-N 0 3 296.317 2.674 20 30 CFEDHN C=CC[C@@H](C(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000275350985 193007005 /nfs/dbraw/zinc/00/70/05/193007005.db2.gz QPYWNOUSGIVIMG-QGZVFWFLSA-N 0 3 284.403 2.724 20 30 CFEDHN Cc1cccc(NCCNCc2ccc(C#N)c(C)c2)n1 ZINC000443994158 241105091 /nfs/dbraw/zinc/10/50/91/241105091.db2.gz CONUKYHRPMOVEJ-UHFFFAOYSA-N 0 3 280.375 2.772 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000444775893 241193864 /nfs/dbraw/zinc/19/38/64/241193864.db2.gz OKMYFNMHOLKGGC-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN CC#CCN1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673757036 541512446 /nfs/dbraw/zinc/51/24/46/541512446.db2.gz IDLCDSLNLPUMDH-INIZCTEOSA-N 0 3 256.393 2.606 20 30 CFEDHN CC[C@@H](NCc1cnc(C)[nH]c1=O)c1ccc(C#N)cc1 ZINC000447603336 241392315 /nfs/dbraw/zinc/39/23/15/241392315.db2.gz XOGLNYMUNLCXBB-OAHLLOKOSA-N 0 3 282.347 2.603 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)s1 ZINC000449556948 242028305 /nfs/dbraw/zinc/02/83/05/242028305.db2.gz TZBLVJVHWKEWST-UPJWGTAASA-N 0 3 276.405 2.603 20 30 CFEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000330640134 203069069 /nfs/dbraw/zinc/06/90/69/203069069.db2.gz HRGYJSXUHONRGV-WMLDXEAASA-N 0 3 299.418 2.685 20 30 CFEDHN CC(C)[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000330784222 203231480 /nfs/dbraw/zinc/23/14/80/203231480.db2.gz JOTYNRCWBKSDGQ-NHYWBVRUSA-N 0 3 264.344 2.755 20 30 CFEDHN CC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)N(CC)CC ZINC000456975799 244342927 /nfs/dbraw/zinc/34/29/27/244342927.db2.gz ZZHHXTKGYSAQQU-OAHLLOKOSA-N 0 3 273.380 2.926 20 30 CFEDHN CCOC(CCNCc1ccc(C#N)cc1F)OCC ZINC000276284385 193272078 /nfs/dbraw/zinc/27/20/78/193272078.db2.gz YHRGZMYXAFAYBI-UHFFFAOYSA-N 0 3 280.343 2.576 20 30 CFEDHN CCC(O)(CC)CCNCc1ccc(OC)c(C#N)c1 ZINC000276298115 193277000 /nfs/dbraw/zinc/27/70/00/193277000.db2.gz ZYQFZCKJEDGOHS-UHFFFAOYSA-N 0 3 276.380 2.598 20 30 CFEDHN C=CCCN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000276448001 193335292 /nfs/dbraw/zinc/33/52/92/193335292.db2.gz PFYCQKNRJDJQOP-CQSZACIVSA-N 0 3 260.337 2.520 20 30 CFEDHN C=CCCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000276503213 193359885 /nfs/dbraw/zinc/35/98/85/193359885.db2.gz WQCMGXWXSRHCCR-ZDUSSCGKSA-N 0 3 284.197 2.990 20 30 CFEDHN CCN1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000677196606 541835854 /nfs/dbraw/zinc/83/58/54/541835854.db2.gz UOUJYTOEJFKPGY-AWEZNQCLSA-N 0 3 276.811 2.718 20 30 CFEDHN CCN1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000677196610 541836450 /nfs/dbraw/zinc/83/64/50/541836450.db2.gz UOUJYTOEJFKPGY-CQSZACIVSA-N 0 3 276.811 2.718 20 30 CFEDHN N#Cc1cccc(CNCc2ccc3c(c2)OCO3)c1 ZINC000011037747 371915598 /nfs/dbraw/zinc/91/55/98/371915598.db2.gz HOLLDZSILDJFAE-UHFFFAOYSA-N 0 3 266.300 2.577 20 30 CFEDHN CCCN(CC#CCOC)[C@H]1C[C@@H](OCC)C1(C)C ZINC000677480795 541864135 /nfs/dbraw/zinc/86/41/35/541864135.db2.gz VLRHDCPYAIEUFF-LSDHHAIUSA-N 0 3 267.413 2.552 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000677479526 541865999 /nfs/dbraw/zinc/86/59/99/541865999.db2.gz OOPIYRLLBYBRRS-INIZCTEOSA-N 0 3 298.430 2.991 20 30 CFEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)cc1 ZINC000027355355 372339071 /nfs/dbraw/zinc/33/90/71/372339071.db2.gz WLLJEWBMMOSHGQ-ZDUSSCGKSA-N 0 3 286.379 2.554 20 30 CFEDHN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(C#N)cc1 ZINC000037652045 372687244 /nfs/dbraw/zinc/68/72/44/372687244.db2.gz SIRJGRUNSJNNKG-LBPRGKRZSA-N 0 3 279.343 2.508 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2Cc3ccccc3O2)c1 ZINC000037986389 372750026 /nfs/dbraw/zinc/75/00/26/372750026.db2.gz LLNIXHGWLLOLMW-INIZCTEOSA-N 0 3 264.328 2.652 20 30 CFEDHN C=CCOc1ccccc1CNCCC(=O)N[C@@H](C)CC ZINC000037997172 372756038 /nfs/dbraw/zinc/75/60/38/372756038.db2.gz MCCYHGLHOKYMLG-AWEZNQCLSA-N 0 3 290.407 2.646 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2Cc3ccccc3O2)c(F)c1 ZINC000038009944 372763959 /nfs/dbraw/zinc/76/39/59/372763959.db2.gz CVDXSUDBAIYCTM-OAHLLOKOSA-N 0 3 282.318 2.791 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451700533 383684998 /nfs/dbraw/zinc/68/49/98/383684998.db2.gz GLMAWECRZJTFEQ-FMKPAKJESA-N 0 3 288.366 2.680 20 30 CFEDHN CC1CCN(CCNc2ccc(C#N)cc2F)CC1 ZINC000040772391 372786927 /nfs/dbraw/zinc/78/69/27/372786927.db2.gz TZYGLENGPLPROI-UHFFFAOYSA-N 0 3 261.344 2.841 20 30 CFEDHN CCO[C@@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000042422300 372921870 /nfs/dbraw/zinc/92/18/70/372921870.db2.gz ZYXNZQQXEFBSOF-QGZVFWFLSA-N 0 3 288.391 2.828 20 30 CFEDHN CC(C)CN(CCN(C)C)Cc1ccc(C#N)cc1F ZINC000042764699 372954355 /nfs/dbraw/zinc/95/43/55/372954355.db2.gz WUFLAIFPNGBUDC-UHFFFAOYSA-N 0 3 277.387 2.717 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1F ZINC000451701394 383686918 /nfs/dbraw/zinc/68/69/18/383686918.db2.gz ZXFNEUFIBRVKBV-IIAWOOMASA-N 0 3 288.366 2.680 20 30 CFEDHN CCN1CCC[C@@H](Nc2nc3c(cc2C#N)CCCC3)C1 ZINC000043409624 372989061 /nfs/dbraw/zinc/98/90/61/372989061.db2.gz KQFZMSHKOYDYDY-OAHLLOKOSA-N 0 3 284.407 2.728 20 30 CFEDHN N#Cc1ccc(CN2CCN(C3CCCC3)CC2)c(F)c1 ZINC000045768552 373032698 /nfs/dbraw/zinc/03/26/98/373032698.db2.gz WTMXJBCJONBTJX-UHFFFAOYSA-N 0 3 287.382 2.758 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SC)c(F)c1 ZINC000289804887 197490171 /nfs/dbraw/zinc/49/01/71/197490171.db2.gz OESCFGMCZMSJAS-MWLCHTKSSA-N 0 3 255.358 2.745 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@](C)(O)C(C)C ZINC000304038901 261367853 /nfs/dbraw/zinc/36/78/53/261367853.db2.gz IFKJPANVSNCKRF-MRXNPFEDSA-N 0 3 263.381 2.748 20 30 CFEDHN CCN(Cc1ccncc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000049024102 373250121 /nfs/dbraw/zinc/25/01/21/373250121.db2.gz VJYPKYDQZJCZAY-KRWDZBQOSA-N 0 3 281.359 2.509 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCCC1 ZINC000049492003 373304822 /nfs/dbraw/zinc/30/48/22/373304822.db2.gz WSWYCGBQDXJRNP-XJKSGUPXSA-N 0 3 279.428 2.551 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1cccc(C#N)c1F ZINC000451737215 383694635 /nfs/dbraw/zinc/69/46/35/383694635.db2.gz GNADRDACXCJRLY-OAHLLOKOSA-N 0 3 275.371 2.613 20 30 CFEDHN C[C@@H](O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066904856 373962413 /nfs/dbraw/zinc/96/24/13/373962413.db2.gz GALNMEZSXREYBV-CQSZACIVSA-N 0 3 296.370 2.608 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431759603 383695423 /nfs/dbraw/zinc/69/54/23/383695423.db2.gz PLVUFWHOMRUEDX-GOEBONIOSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](C)CC1 ZINC000068830751 374041002 /nfs/dbraw/zinc/04/10/02/374041002.db2.gz NNOAPATZEIKLCQ-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN C#CCNC(C)(C)c1ccc(Br)cc1 ZINC000070184925 374142150 /nfs/dbraw/zinc/14/21/50/374142150.db2.gz TZHVBNOULFVNFT-UHFFFAOYSA-N 0 3 252.155 2.907 20 30 CFEDHN C[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@H](C)S1 ZINC000070383205 374170153 /nfs/dbraw/zinc/17/01/53/374170153.db2.gz FZJXGRNCCTVENL-BETUJISGSA-N 0 3 276.405 2.763 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](c1ccco1)N(C)C ZINC000072670335 374275049 /nfs/dbraw/zinc/27/50/49/374275049.db2.gz KPXADHXDYXQFDD-INIZCTEOSA-N 0 3 298.386 2.684 20 30 CFEDHN COCC#CCN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000677818215 541910079 /nfs/dbraw/zinc/91/00/79/541910079.db2.gz HNXLQDJFJZEPSN-ZWKOTPCHSA-N 0 3 287.403 2.736 20 30 CFEDHN COCC#CCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000677819928 541911370 /nfs/dbraw/zinc/91/13/70/541911370.db2.gz DGYOXADHTNJLQZ-DOTOQJQBSA-N 0 3 257.377 2.762 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@](C)(CC)C1 ZINC000072802641 374286428 /nfs/dbraw/zinc/28/64/28/374286428.db2.gz PNODUBXBMMBIBS-HOCLYGCPSA-N 0 3 279.428 2.507 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000072976568 374310532 /nfs/dbraw/zinc/31/05/32/374310532.db2.gz ZKGUKVVULCVDBK-INIZCTEOSA-N 0 3 258.365 2.807 20 30 CFEDHN C[C@H](C1CC1)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000073779284 374382988 /nfs/dbraw/zinc/38/29/88/374382988.db2.gz JCONYAYRAQKENI-SNVBAGLBSA-N 0 3 291.782 2.880 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC(C(C)C)CC2)CC1 ZINC000074132550 374408064 /nfs/dbraw/zinc/40/80/64/374408064.db2.gz BMRCDIMODHOQDA-UHFFFAOYSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCCCN(C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000076734268 374556249 /nfs/dbraw/zinc/55/62/49/374556249.db2.gz DPKRDVYLLIEBCW-UHFFFAOYSA-N 0 3 280.334 2.684 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000078538773 374569526 /nfs/dbraw/zinc/56/95/26/374569526.db2.gz HKIWKXODXMLNJF-LZWOXQAQSA-N 0 3 279.428 2.551 20 30 CFEDHN COC[C@H](Cc1ccccc1)NCc1cccc(C#N)c1 ZINC000080244146 374646968 /nfs/dbraw/zinc/64/69/68/374646968.db2.gz RZHWLEYASDVYSM-SFHVURJKSA-N 0 3 280.371 2.906 20 30 CFEDHN CCOC(=O)C1CCN(CCCC(C)(C)C#N)CC1 ZINC000087607091 374826593 /nfs/dbraw/zinc/82/65/93/374826593.db2.gz HUXSGSKVRZEGPF-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN COCCN(Cc1ccc(OC)c(C#N)c1)CC(C)C ZINC000087833269 374833875 /nfs/dbraw/zinc/83/38/75/374833875.db2.gz FYEYWBMSHCQLTD-UHFFFAOYSA-N 0 3 276.380 2.671 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000335994537 296225470 /nfs/dbraw/zinc/22/54/70/296225470.db2.gz RBMGMWNXQOLPOM-WMLDXEAASA-N 0 3 297.402 2.706 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)CC(C)(C)C ZINC000092217631 375096496 /nfs/dbraw/zinc/09/64/96/375096496.db2.gz LHNPBUQUZYIDBQ-UHFFFAOYSA-N 0 3 256.353 2.684 20 30 CFEDHN Cc1noc([C@H]2CCCN(CC(C)(C)CCC#N)C2)n1 ZINC000091833487 375063901 /nfs/dbraw/zinc/06/39/01/375063901.db2.gz JZVZMONADPZHCA-ZDUSSCGKSA-N 0 3 276.384 2.887 20 30 CFEDHN CC#CCN1CCC(OCc2ccccc2F)CC1 ZINC000091865924 375066132 /nfs/dbraw/zinc/06/61/32/375066132.db2.gz SOOSYPLCXUFDEV-UHFFFAOYSA-N 0 3 261.340 2.830 20 30 CFEDHN Cc1nsc(N[C@H](C)CN2CCCCC2)c1C#N ZINC000092912572 375167090 /nfs/dbraw/zinc/16/70/90/375167090.db2.gz QLWLEKROHRVXEV-SNVBAGLBSA-N 0 3 264.398 2.610 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000092967866 375169988 /nfs/dbraw/zinc/16/99/88/375169988.db2.gz DOYGSSXQILZFBF-QGZVFWFLSA-N 0 3 295.386 2.732 20 30 CFEDHN C=CCCCCCN(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093497984 375255975 /nfs/dbraw/zinc/25/59/75/375255975.db2.gz CXQVIKOVQHMOGL-UHFFFAOYSA-N 0 3 277.412 2.895 20 30 CFEDHN C[C@H](O)CCN(C)Cc1cccc(OCCCC#N)c1 ZINC000093481359 375253110 /nfs/dbraw/zinc/25/31/10/375253110.db2.gz ISERYXMPRQBPIF-AWEZNQCLSA-N 0 3 276.380 2.572 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H](COC)C2)cc1 ZINC000093337833 375215714 /nfs/dbraw/zinc/21/57/14/375215714.db2.gz IIARBYZUTGTTAV-MRXNPFEDSA-N 0 3 273.376 2.557 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)CCC1CCCCC1 ZINC000101565657 375641821 /nfs/dbraw/zinc/64/18/21/375641821.db2.gz JTWQZFJKCSABTG-HNNXBMFYSA-N 0 3 293.455 2.897 20 30 CFEDHN COCCN(CCCCC#N)Cc1ccc(C#N)cc1 ZINC000102399007 375671820 /nfs/dbraw/zinc/67/18/20/375671820.db2.gz GDXPYDVJDFNMFA-UHFFFAOYSA-N 0 3 271.364 2.701 20 30 CFEDHN C=CCCC[C@@H](C)N1CCc2nnc(NC)cc2C1 ZINC000678715342 542060358 /nfs/dbraw/zinc/06/03/58/542060358.db2.gz NUEBMZSZAXBHCI-GFCCVEGCSA-N 0 3 260.385 2.621 20 30 CFEDHN C#CCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108374595 375815368 /nfs/dbraw/zinc/81/53/68/375815368.db2.gz ABZBBQIVPOYYHO-UHFFFAOYSA-N 0 3 271.339 2.713 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H]1CCc2c1cc(F)cc2F ZINC000678775610 542068813 /nfs/dbraw/zinc/06/88/13/542068813.db2.gz YHFCXUPVIIYGPO-ZUZCIYMTSA-N 0 3 267.319 2.726 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1ccccc1C#N ZINC000112567553 375932035 /nfs/dbraw/zinc/93/20/35/375932035.db2.gz KZWVPSIWTLJQEH-UHFFFAOYSA-N 0 3 260.381 2.789 20 30 CFEDHN CCOC[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000113935684 376042321 /nfs/dbraw/zinc/04/23/21/376042321.db2.gz DQFBEESRCJXTSI-OAHLLOKOSA-N 0 3 288.391 2.686 20 30 CFEDHN CCOC(=O)[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118390434 376290509 /nfs/dbraw/zinc/29/05/09/376290509.db2.gz NTUYOERLUVCGFU-BBRMVZONSA-N 0 3 286.375 2.894 20 30 CFEDHN CCC(CC)(CC)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000119324675 376392493 /nfs/dbraw/zinc/39/24/93/376392493.db2.gz NUFISBUGJGPHJO-HNNXBMFYSA-N 0 3 287.407 2.891 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000119686933 376451844 /nfs/dbraw/zinc/45/18/44/376451844.db2.gz ZLSJQXJUCMHEQT-CABCVRRESA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000264007982 190088519 /nfs/dbraw/zinc/08/85/19/190088519.db2.gz UMAHPTVFNONLGL-UHFFFAOYSA-N 0 3 272.392 2.687 20 30 CFEDHN CC(C)CO[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000119977663 376519531 /nfs/dbraw/zinc/51/95/31/376519531.db2.gz OYQUQPOHDHJYIA-KRWDZBQOSA-N 0 3 288.391 2.684 20 30 CFEDHN CC(C)OCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264152351 190093544 /nfs/dbraw/zinc/09/35/44/190093544.db2.gz SYZQGWDEETZSRB-UHFFFAOYSA-N 0 3 288.391 2.826 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000264211301 190096770 /nfs/dbraw/zinc/09/67/70/190096770.db2.gz SMOHOUUYSXOHJC-INIZCTEOSA-N 0 3 299.418 2.685 20 30 CFEDHN N#CCCCCN1CCN(CCc2ccccc2)CC1 ZINC000120074580 376540238 /nfs/dbraw/zinc/54/02/38/376540238.db2.gz GRUZMUSSBLTATD-UHFFFAOYSA-N 0 3 271.408 2.541 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCOC1 ZINC000120430858 376615511 /nfs/dbraw/zinc/61/55/11/376615511.db2.gz SHSIQFSHFMVBHZ-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000264428638 190108650 /nfs/dbraw/zinc/10/86/50/190108650.db2.gz KDLUNSARPSAMOG-UHFFFAOYSA-N 0 3 286.335 2.529 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC2(CCC2)C1 ZINC000121207960 376781648 /nfs/dbraw/zinc/78/16/48/376781648.db2.gz WSUUQVCDRCJKDA-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN COCC#CCN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000679220419 542137713 /nfs/dbraw/zinc/13/77/13/542137713.db2.gz KPZVIGBRZSVRMM-DOMZBBRYSA-N 0 3 281.783 2.655 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCCCSC)CC1 ZINC000121538056 376853680 /nfs/dbraw/zinc/85/36/80/376853680.db2.gz MYHJLGKNEZMBGS-UHFFFAOYSA-N 0 3 284.469 2.676 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000123715061 376971887 /nfs/dbraw/zinc/97/18/87/376971887.db2.gz BPEDFMHXJOEVOZ-MSOLQXFVSA-N 0 3 289.419 2.995 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000123937301 376997257 /nfs/dbraw/zinc/99/72/57/376997257.db2.gz FVJMFICLNUZIHK-OAHLLOKOSA-N 0 3 286.419 2.858 20 30 CFEDHN C=C(C)COCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000125800682 377195056 /nfs/dbraw/zinc/19/50/56/377195056.db2.gz NHCSXXRMFIGEGC-CYBMUJFWSA-N 0 3 291.391 2.701 20 30 CFEDHN C=C(C)COCCNCc1ccc(OC(F)F)cc1 ZINC000125818039 377195436 /nfs/dbraw/zinc/19/54/36/377195436.db2.gz GYSCVVWPCYWSLC-UHFFFAOYSA-N 0 3 271.307 2.970 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)CC1CCOCC1 ZINC000264804176 190135707 /nfs/dbraw/zinc/13/57/07/190135707.db2.gz HJCKMDLPFWZWJU-UHFFFAOYSA-N 0 3 261.340 2.688 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000127344810 377274981 /nfs/dbraw/zinc/27/49/81/377274981.db2.gz SUQHUAURVQQVOC-GJZGRUSLSA-N 0 3 293.455 2.999 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc(C#N)c1 ZINC000264939733 190146375 /nfs/dbraw/zinc/14/63/75/190146375.db2.gz HDJJSNJLMLNWPE-MRXNPFEDSA-N 0 3 285.391 2.553 20 30 CFEDHN C=C[C@H](CC(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000128813984 377357770 /nfs/dbraw/zinc/35/77/70/377357770.db2.gz MNHQOSWZHUDGKW-OAHLLOKOSA-N 0 3 286.419 2.947 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccccc1C#N ZINC000264998009 190150548 /nfs/dbraw/zinc/15/05/48/190150548.db2.gz DJFYLHKTVDPFFJ-CVEARBPZSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@]1(O)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000129462330 377428987 /nfs/dbraw/zinc/42/89/87/377428987.db2.gz TXIAOJLOTOGBAW-KRWDZBQOSA-N 0 3 288.391 2.716 20 30 CFEDHN C=C(C)CN1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265188707 190164818 /nfs/dbraw/zinc/16/48/18/190164818.db2.gz KNGJXVCJWBESBH-UHFFFAOYSA-N 0 3 290.367 2.751 20 30 CFEDHN CC[C@@H](C(=O)Nc1cccc(C#N)c1)N(CC)CC ZINC000265420863 190180587 /nfs/dbraw/zinc/18/05/87/190180587.db2.gz FRDYKJOVUCGBJW-AWEZNQCLSA-N 0 3 259.353 2.617 20 30 CFEDHN N#CCC[C@H](NCC1=CCCOC1)c1ccccc1 ZINC000130594001 377582853 /nfs/dbraw/zinc/58/28/53/377582853.db2.gz LWZNKUIGVMNPDP-INIZCTEOSA-N 0 3 256.349 2.968 20 30 CFEDHN C=CCOCCNCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000679486207 542196640 /nfs/dbraw/zinc/19/66/40/542196640.db2.gz FKQYQIXUENPDFT-UHFFFAOYSA-N 0 3 291.782 2.818 20 30 CFEDHN C=CCOCCNCc1ccc(OCC(F)(F)F)cc1 ZINC000679485476 542196652 /nfs/dbraw/zinc/19/66/52/542196652.db2.gz HUSLCWIQTUWMJA-UHFFFAOYSA-N 0 3 289.297 2.920 20 30 CFEDHN C=CCC[C@H](O)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679539413 542205373 /nfs/dbraw/zinc/20/53/73/542205373.db2.gz AKROAPOITSHJRR-SRVKXCTJSA-N 0 3 265.319 2.976 20 30 CFEDHN C=CCOCCN[C@H]1CSCCc2ccccc21 ZINC000679576206 542210296 /nfs/dbraw/zinc/21/02/96/542210296.db2.gz KTWPHZOXMIHLRF-HNNXBMFYSA-N 0 3 263.406 2.809 20 30 CFEDHN C#CCN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000130866808 377625115 /nfs/dbraw/zinc/62/51/15/377625115.db2.gz QKVANJSPFUBTKU-ZDUSSCGKSA-N 0 3 253.349 2.684 20 30 CFEDHN C#CCN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130866808 377625126 /nfs/dbraw/zinc/62/51/26/377625126.db2.gz QKVANJSPFUBTKU-ZDUSSCGKSA-N 0 3 253.349 2.684 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCN(CCC)CC1 ZINC000132930152 377887550 /nfs/dbraw/zinc/88/75/50/377887550.db2.gz WZTJHIRRYGLUFL-UHFFFAOYSA-N 0 3 264.413 2.699 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@H](CO)C(C)(C)C ZINC000134377431 378007346 /nfs/dbraw/zinc/00/73/46/378007346.db2.gz FVTUMRSBJHJBDJ-OAHLLOKOSA-N 0 3 263.356 2.516 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000133845297 377963385 /nfs/dbraw/zinc/96/33/85/377963385.db2.gz MFFKISPSGPNIMH-IRXDYDNUSA-N 0 3 299.418 2.674 20 30 CFEDHN C=CCC[C@H](NC(=O)NCCN(C)C)c1ccccc1 ZINC000133917090 377967350 /nfs/dbraw/zinc/96/73/50/377967350.db2.gz ZYCNWUCSQGORCU-HNNXBMFYSA-N 0 3 275.396 2.555 20 30 CFEDHN COc1ccc(CN2CCC3(CCC3)C2)cc1C#N ZINC000135146664 378091296 /nfs/dbraw/zinc/09/12/96/378091296.db2.gz IXDFWCRDWHFQBB-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN COc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1C#N ZINC000135165637 378093724 /nfs/dbraw/zinc/09/37/24/378093724.db2.gz GXOWNVPRPAKONG-RHSMWYFYSA-N 0 3 286.375 2.568 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000150847609 378275339 /nfs/dbraw/zinc/27/53/39/378275339.db2.gz MEIIEZTYLLGOJY-DZGCQCFKSA-N 0 3 264.413 2.696 20 30 CFEDHN CCCc1nnc(NC(=O)C2CCN(C3CC3)CC2)s1 ZINC000328694106 378416934 /nfs/dbraw/zinc/41/69/34/378416934.db2.gz JWKSEMGZPQBGDP-UHFFFAOYSA-N 0 3 294.424 2.953 20 30 CFEDHN CC(C)n1cnnc1[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000328793379 378425131 /nfs/dbraw/zinc/42/51/31/378425131.db2.gz CBWQXQYSYPEKGF-RRFJBIMHSA-N 0 3 287.411 2.731 20 30 CFEDHN CNC(=O)C1CCC(NC(=O)C23CCCN2CCC3)CC1 ZINC000328791008 378426272 /nfs/dbraw/zinc/42/62/72/378426272.db2.gz QOZOSGVGDHTVOG-UHFFFAOYSA-N 0 3 293.411 2.716 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)C1 ZINC000328826392 378429630 /nfs/dbraw/zinc/42/96/30/378429630.db2.gz JHMYBXPROSEODM-XBFCOCLRSA-N 0 3 285.395 2.554 20 30 CFEDHN C[C@H](C(=O)NCc1noc(C2CC2)n1)N1CCCCCC1 ZINC000328921013 378439387 /nfs/dbraw/zinc/43/93/87/378439387.db2.gz BIVFMNODFWPFMU-LLVKDONJSA-N 0 3 292.383 2.668 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncnc3c2CCCC3)CC1 ZINC000152719450 378440607 /nfs/dbraw/zinc/44/06/07/378440607.db2.gz YIWDZFDBKCLFHN-UHFFFAOYSA-N 0 3 286.423 2.808 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@H](C)C2=CCN(C)CC2)CC(=O)N1 ZINC000329667496 378477830 /nfs/dbraw/zinc/47/78/30/378477830.db2.gz LLNGQCVOSGBYRE-KWCYVHTRSA-N 0 3 293.411 2.738 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC(=O)N1 ZINC000329681722 378481253 /nfs/dbraw/zinc/48/12/53/378481253.db2.gz SBMGMJUJAZEMSV-YVECIDJPSA-N 0 3 293.411 2.713 20 30 CFEDHN C[C@@H](NC(=O)c1cccc2c[nH]nc21)C1=CCN(C)CC1 ZINC000329689049 378482437 /nfs/dbraw/zinc/48/24/37/378482437.db2.gz BBGAOORHTLXIJO-LLVKDONJSA-N 0 3 284.363 2.518 20 30 CFEDHN CC[C@H]1CN(CCCC(C)(C)C#N)CCN1CC(F)F ZINC000153530668 378496816 /nfs/dbraw/zinc/49/68/16/378496816.db2.gz RMUWCJUUKHCMPN-ZDUSSCGKSA-N 0 3 287.398 2.978 20 30 CFEDHN C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)C1=CCN(C)CC1 ZINC000329821619 378501932 /nfs/dbraw/zinc/50/19/32/378501932.db2.gz GUHMCJPIPDETRN-JSGCOSHPSA-N 0 3 293.411 2.883 20 30 CFEDHN C[C@H](NC(=O)C[C@H]1CCCCNC1=O)C1=CCN(C)CC1 ZINC000329851958 378505241 /nfs/dbraw/zinc/50/52/41/378505241.db2.gz UGPHNVYFZIZGHU-GXTWGEPZSA-N 0 3 293.411 2.740 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000329893936 378509630 /nfs/dbraw/zinc/50/96/30/378509630.db2.gz JTTSUERYQZQVRZ-CZXHOFHRSA-N 0 3 293.411 2.767 20 30 CFEDHN C[C@H](CCC1CC1)[NH+]=C([O-])NC[C@H]1CCc2nccn2C1 ZINC000329907010 378511180 /nfs/dbraw/zinc/51/11/80/378511180.db2.gz KNNMWASDFRIYNQ-TZMCWYRMSA-N 0 3 290.411 2.528 20 30 CFEDHN C[C@@H]1CCC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330396941 378544773 /nfs/dbraw/zinc/54/47/73/378544773.db2.gz SBSIQPUWSYWUJB-LERXQTSPSA-N 0 3 257.337 2.913 20 30 CFEDHN CC(C)c1ccc([C@@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000154349106 378560398 /nfs/dbraw/zinc/56/03/98/378560398.db2.gz WUPRFSBSSZEFSK-KRWDZBQOSA-N 0 3 287.407 2.736 20 30 CFEDHN CCN1CCC[C@H](NC(=O)N[C@H](C)c2csc(C)n2)C1 ZINC000330648959 378594039 /nfs/dbraw/zinc/59/40/39/378594039.db2.gz NZMFMMSGYLHRGY-PWSUYJOCSA-N 0 3 296.440 2.500 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC(=C)C)C(C)C ZINC000156459501 378640157 /nfs/dbraw/zinc/64/01/57/378640157.db2.gz YCGZBSIBLGENFO-OAHLLOKOSA-N 0 3 279.428 2.560 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(F)c2)n1 ZINC000155402338 378624860 /nfs/dbraw/zinc/62/48/60/378624860.db2.gz YAZDAZZFQSKMKN-LLVKDONJSA-N 0 3 275.308 2.837 20 30 CFEDHN C=CCN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158167362 378664747 /nfs/dbraw/zinc/66/47/47/378664747.db2.gz VMFAHTBOARIJPQ-OAHLLOKOSA-N 0 3 266.385 2.505 20 30 CFEDHN CC#CCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000158348420 378668144 /nfs/dbraw/zinc/66/81/44/378668144.db2.gz ZTSCEOPFDFHCEB-UHFFFAOYSA-N 0 3 265.740 2.614 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000156518632 378642384 /nfs/dbraw/zinc/64/23/84/378642384.db2.gz YVIQVCJXMISVOT-ZDUSSCGKSA-N 0 3 280.412 2.980 20 30 CFEDHN CCOc1nccc(C)c1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000331206235 378650816 /nfs/dbraw/zinc/65/08/16/378650816.db2.gz DIENGXYJSPRJMO-CHWSQXEVSA-N 0 3 291.395 2.576 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159577314 378716439 /nfs/dbraw/zinc/71/64/39/378716439.db2.gz LKILOGYPEQWLGK-MCIONIFRSA-N 0 3 274.389 2.667 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)o1 ZINC000266174700 190237110 /nfs/dbraw/zinc/23/71/10/190237110.db2.gz SPCWMAHSKFGQPP-XJKSGUPXSA-N 0 3 252.317 2.872 20 30 CFEDHN Cc1noc([C@@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000332083763 378725804 /nfs/dbraw/zinc/72/58/04/378725804.db2.gz PHLOQJVQLYEYPH-OAHLLOKOSA-N 0 3 282.347 2.548 20 30 CFEDHN C=C(C)COc1cc(CN(CCC)CCO)ccc1OC ZINC000161235987 378832727 /nfs/dbraw/zinc/83/27/27/378832727.db2.gz XCVSYYNZFILESL-UHFFFAOYSA-N 0 3 293.407 2.854 20 30 CFEDHN N#CC1(NC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000334031319 378889646 /nfs/dbraw/zinc/88/96/46/378889646.db2.gz LFZMRFRWOGFWFC-UHFFFAOYSA-N 0 3 297.402 2.849 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000162789453 378934255 /nfs/dbraw/zinc/93/42/55/378934255.db2.gz FCSJTRJDSWUBBX-DZGCQCFKSA-N 0 3 299.418 2.717 20 30 CFEDHN C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000162791666 378934405 /nfs/dbraw/zinc/93/44/05/378934405.db2.gz JDWLBHJTBYYDHQ-TZMCWYRMSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCCOCCNCc1ccc(OCC)c(F)c1 ZINC000278559033 194043963 /nfs/dbraw/zinc/04/39/63/194043963.db2.gz VZDLSSPZHVCQHF-UHFFFAOYSA-N 0 3 267.344 2.907 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CC3(CCC3)C2)c(F)c1 ZINC000278583171 194055695 /nfs/dbraw/zinc/05/56/95/194055695.db2.gz FZPKSBQAKWNDLG-UHFFFAOYSA-N 0 3 288.366 2.730 20 30 CFEDHN C=CCOc1cccc(CN[C@H](COC)[C@H]2CCCO2)c1 ZINC000278675492 194097384 /nfs/dbraw/zinc/09/73/84/194097384.db2.gz ONTOZOQUPPBVMC-IAGOWNOFSA-N 0 3 291.391 2.535 20 30 CFEDHN C#CC[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000278685620 194101579 /nfs/dbraw/zinc/10/15/79/194101579.db2.gz HCGVQVHVOFGEIR-GOSISDBHSA-N 0 3 296.414 2.742 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000278705178 194113000 /nfs/dbraw/zinc/11/30/00/194113000.db2.gz LFJNTPOVKDYMGG-WFASDCNBSA-N 0 3 287.407 2.902 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H](C3CCOCC3)C2)ccc1F ZINC000335325047 379090948 /nfs/dbraw/zinc/09/09/48/379090948.db2.gz JTKOPVFUYKYOIG-OAHLLOKOSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1csc(CNC2CCC(F)(F)CC2)n1 ZINC000335341013 379122595 /nfs/dbraw/zinc/12/25/95/379122595.db2.gz ZWBFNUHKSWWZOI-UHFFFAOYSA-N 0 3 257.309 2.682 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000334402086 379236277 /nfs/dbraw/zinc/23/62/77/379236277.db2.gz ZKFTZMQYZQDYAL-XJKSGUPXSA-N 0 3 258.365 2.866 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)o1 ZINC000335422634 379268557 /nfs/dbraw/zinc/26/85/57/379268557.db2.gz GPSYTFLAJMVUDR-WFASDCNBSA-N 0 3 260.337 2.542 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)o1 ZINC000335441168 379299645 /nfs/dbraw/zinc/29/96/45/379299645.db2.gz HCKJBXNEVBTSMS-CYBMUJFWSA-N 0 3 253.305 2.536 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000171725315 379386505 /nfs/dbraw/zinc/38/65/05/379386505.db2.gz MCBYCOCRQMAQQX-UHFFFAOYSA-N 0 3 278.783 2.720 20 30 CFEDHN C=CCN1CCC(NC(=O)CSc2ccccc2)CC1 ZINC000171726813 379386630 /nfs/dbraw/zinc/38/66/30/379386630.db2.gz XKKDCKLHZWCWEG-UHFFFAOYSA-N 0 3 290.432 2.545 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2C)CC1 ZINC000171726611 379386755 /nfs/dbraw/zinc/38/67/55/379386755.db2.gz KCGYGOSOKZEKSJ-CMDGGOBGSA-N 0 3 284.403 2.775 20 30 CFEDHN C=CCOc1ccc(CNCc2cccn2C)cc1 ZINC000266624036 190271867 /nfs/dbraw/zinc/27/18/67/190271867.db2.gz RNJVUOUBLPGPRF-UHFFFAOYSA-N 0 3 256.349 2.880 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000334468701 379353488 /nfs/dbraw/zinc/35/34/88/379353488.db2.gz GLQKQQRUDPGGLH-MRXNPFEDSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCN1CCC(/N=C/c2cccc(OCC)c2O)CC1 ZINC000171647771 379363472 /nfs/dbraw/zinc/36/34/72/379363472.db2.gz PCCPCYNDACMNSD-QGOAFFKASA-N 0 3 288.391 2.860 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000334522466 379447453 /nfs/dbraw/zinc/44/74/53/379447453.db2.gz HAPHZVJBRLBUKO-UWVGGRQHSA-N 0 3 274.286 2.727 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000266779621 190280607 /nfs/dbraw/zinc/28/06/07/190280607.db2.gz ZPMNTXKSBHKISN-UHFFFAOYSA-N 0 3 274.364 2.676 20 30 CFEDHN CN(C)[C@@]1(CNc2cccc(F)c2C#N)CCSC1 ZINC000267110513 190304298 /nfs/dbraw/zinc/30/42/98/190304298.db2.gz RCNFFLYXEFXYNN-CQSZACIVSA-N 0 3 279.384 2.547 20 30 CFEDHN C=CCCCCCN(C)CCn1c(C)csc1=O ZINC000172654682 379617229 /nfs/dbraw/zinc/61/72/29/379617229.db2.gz NDPFXYIMFMKZPH-UHFFFAOYSA-N 0 3 268.426 2.896 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000335668972 379690575 /nfs/dbraw/zinc/69/05/75/379690575.db2.gz IKIASMCTJNQFNT-OTYXRUKQSA-N 0 3 282.265 2.522 20 30 CFEDHN N#Cc1c(Cl)nsc1NCCN1CCCCCC1 ZINC000267226980 190313261 /nfs/dbraw/zinc/31/32/61/190313261.db2.gz PAHLDQCAIIIXJD-UHFFFAOYSA-N 0 3 284.816 2.956 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccc(F)c2)CC1 ZINC000173579090 379754445 /nfs/dbraw/zinc/75/44/45/379754445.db2.gz NXEXSVCPBQHXCI-ZDUSSCGKSA-N 0 3 290.382 2.696 20 30 CFEDHN Cc1ccccc1NC(=O)CCN1CCC(C#N)CC1 ZINC000173267472 379718921 /nfs/dbraw/zinc/71/89/21/379718921.db2.gz YGMWWCNOIGQEBM-UHFFFAOYSA-N 0 3 271.364 2.559 20 30 CFEDHN C=CCN(CCC(=O)OC(C)C)Cc1cccc(C#N)c1 ZINC000173581724 379755357 /nfs/dbraw/zinc/75/53/57/379755357.db2.gz JONBTXXBTRQYEC-UHFFFAOYSA-N 0 3 286.375 2.888 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H](O)c1cccc(F)c1 ZINC000267253737 190315309 /nfs/dbraw/zinc/31/53/09/190315309.db2.gz ZZIJDULBCDOPHR-ZUZCIYMTSA-N 0 3 290.363 2.971 20 30 CFEDHN C#CCSCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173435714 379738588 /nfs/dbraw/zinc/73/85/88/379738588.db2.gz QRAHTDDIGVKIOG-LLVKDONJSA-N 0 3 264.350 2.612 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(F)c(F)c1 ZINC000173435820 379739482 /nfs/dbraw/zinc/73/94/82/379739482.db2.gz QLTDHZRYONABST-SNVBAGLBSA-N 0 3 255.333 2.982 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1cccc(F)c1 ZINC000267395916 190326511 /nfs/dbraw/zinc/32/65/11/190326511.db2.gz OIJOBJJFRAOTNT-INIZCTEOSA-N 0 3 284.338 2.807 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@@H]32)cc1F ZINC000335744038 379818043 /nfs/dbraw/zinc/81/80/43/379818043.db2.gz DJPNRZSJYWGVHS-HOCLYGCPSA-N 0 3 274.339 2.698 20 30 CFEDHN Cn1c(CCCNCc2ccc(C#N)o2)nc2ccccc21 ZINC000174414142 379880760 /nfs/dbraw/zinc/88/07/60/379880760.db2.gz ZPJRNTSGDYJCRV-UHFFFAOYSA-N 0 3 294.358 2.760 20 30 CFEDHN CCCC[C@H](COC)NCc1ccc(OC)c(C#N)c1 ZINC000174410521 379881822 /nfs/dbraw/zinc/88/18/22/379881822.db2.gz SCPVBERDJKDSOH-OAHLLOKOSA-N 0 3 276.380 2.862 20 30 CFEDHN Cc1cc(CN2CCC(CC#N)CC2)ccc1C#N ZINC000335837577 379971575 /nfs/dbraw/zinc/97/15/75/379971575.db2.gz CNRHGKVQUMWQAD-UHFFFAOYSA-N 0 3 253.349 2.992 20 30 CFEDHN Cn1cccc1CNCCSCc1ccccc1C#N ZINC000174982050 379973615 /nfs/dbraw/zinc/97/36/15/379973615.db2.gz GNBGCPLUTHAZBC-UHFFFAOYSA-N 0 3 285.416 2.920 20 30 CFEDHN C=CCN1C(=O)c2ccccc2N[C@@]12CCN(C)[C@@H](C)C2 ZINC000334879824 379938524 /nfs/dbraw/zinc/93/85/24/379938524.db2.gz DEAUCJQTFOSJQE-GUYCJALGSA-N 0 3 285.391 2.551 20 30 CFEDHN C=C(C)CN(C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000335146064 379982115 /nfs/dbraw/zinc/98/21/15/379982115.db2.gz KNTREHRUISSEPG-UHFFFAOYSA-N 0 3 277.343 2.511 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](O)C23CCCC3)c1F ZINC000335885243 380051284 /nfs/dbraw/zinc/05/12/84/380051284.db2.gz JCDARXIZOBZZIU-CQSZACIVSA-N 0 3 274.339 2.577 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000335909205 380089708 /nfs/dbraw/zinc/08/97/08/380089708.db2.gz IEJOPMLWLHRYOO-NOZJJQNGSA-N 0 3 296.729 2.539 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000335909206 380089960 /nfs/dbraw/zinc/08/99/60/380089960.db2.gz IEJOPMLWLHRYOO-RNCFNFMXSA-N 0 3 296.729 2.539 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1ccc(C#N)cc1F ZINC000267905517 190361997 /nfs/dbraw/zinc/36/19/97/190361997.db2.gz ANLCKJBAHCCRRY-UHFFFAOYSA-N 0 3 292.354 2.909 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1nncs1)C(C)C ZINC000267915090 190362786 /nfs/dbraw/zinc/36/27/86/190362786.db2.gz HDXUGFDGYOWPQZ-LBPRGKRZSA-N 0 3 266.414 2.649 20 30 CFEDHN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)C(C)(C)C1 ZINC000335944474 380139197 /nfs/dbraw/zinc/13/91/97/380139197.db2.gz GJFDDSJFRVFVIF-GFCCVEGCSA-N 0 3 268.364 2.826 20 30 CFEDHN C#CCCCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000268148508 190381389 /nfs/dbraw/zinc/38/13/89/190381389.db2.gz ASZKWQMMCTVOPZ-UHFFFAOYSA-N 0 3 297.301 2.910 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000268245327 190389103 /nfs/dbraw/zinc/38/91/03/190389103.db2.gz YDZLHOBMMXDJKI-AWEZNQCLSA-N 0 3 264.413 2.555 20 30 CFEDHN C=C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000336095479 380265811 /nfs/dbraw/zinc/26/58/11/380265811.db2.gz TWIYIRXDWLOAOY-UHFFFAOYSA-N 0 3 258.365 2.540 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)C(C)C#N)CC3 ZINC000336148709 380275183 /nfs/dbraw/zinc/27/51/83/380275183.db2.gz QPQWSHUPNDCAQF-NWDGAFQWSA-N 0 3 281.359 2.610 20 30 CFEDHN CC(C)CC[C@](C)(O)CNCc1ccc(C#N)s1 ZINC000176974445 380288147 /nfs/dbraw/zinc/28/81/47/380288147.db2.gz KUUPAQXGDZDWBP-AWEZNQCLSA-N 0 3 266.410 2.897 20 30 CFEDHN CCc1cnc(CCNCc2ccc(C#N)s2)s1 ZINC000176978694 380291278 /nfs/dbraw/zinc/29/12/78/380291278.db2.gz LGVRZJABOPUCMC-UHFFFAOYSA-N 0 3 277.418 2.971 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000336295432 380310160 /nfs/dbraw/zinc/31/01/60/380310160.db2.gz VWLKADKDMNRGHA-CYBMUJFWSA-N 0 3 264.413 2.531 20 30 CFEDHN N#CCSCCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177189262 380313011 /nfs/dbraw/zinc/31/30/11/380313011.db2.gz JWPMJLNWCTZCRK-QWHCGFSZSA-N 0 3 270.467 2.993 20 30 CFEDHN N#Cc1csc(CNCCC(=O)N2CCCCCC2)c1 ZINC000177693245 380368763 /nfs/dbraw/zinc/36/87/63/380368763.db2.gz OWSFGYYPUZODBR-UHFFFAOYSA-N 0 3 291.420 2.502 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC(C)(C)OC)C(C)C ZINC000279061861 194267773 /nfs/dbraw/zinc/26/77/73/194267773.db2.gz QDYJMZHYIZIQPC-OAHLLOKOSA-N 0 3 296.455 2.616 20 30 CFEDHN C=CCSCCNCc1ccnn1-c1ccccc1 ZINC000279062443 194268119 /nfs/dbraw/zinc/26/81/19/194268119.db2.gz FIFVIGBETZSBSS-UHFFFAOYSA-N 0 3 273.405 2.881 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000177983867 380399601 /nfs/dbraw/zinc/39/96/01/380399601.db2.gz JJROGIDBKSSNMA-CVEARBPZSA-N 0 3 256.349 2.559 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178536547 380463682 /nfs/dbraw/zinc/46/36/82/380463682.db2.gz GGKCHCDBIDHPIY-UHFFFAOYSA-N 0 3 298.390 2.639 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780119 380579851 /nfs/dbraw/zinc/57/98/51/380579851.db2.gz ZZRJGNDKLXOUKM-LBPRGKRZSA-N 0 3 271.364 2.989 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC000179789977 380580985 /nfs/dbraw/zinc/58/09/85/380580985.db2.gz GXTJQJWBRJUSMZ-UONOGXRCSA-N 0 3 252.402 2.722 20 30 CFEDHN CCCN1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000179893347 380593667 /nfs/dbraw/zinc/59/36/67/380593667.db2.gz PKIODMCOFREDAI-UHFFFAOYSA-N 0 3 280.375 2.638 20 30 CFEDHN CC[C@@H](NCCCC#N)c1ccc2c(c1)OCCO2 ZINC000180646079 380686546 /nfs/dbraw/zinc/68/65/46/380686546.db2.gz GCJGJAOXORJBPG-CYBMUJFWSA-N 0 3 260.337 2.802 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000180916665 380711684 /nfs/dbraw/zinc/71/16/84/380711684.db2.gz LKJKEDXRDHPXGE-MJBXVCDLSA-N 0 3 279.428 2.656 20 30 CFEDHN C[C@H]1CCC[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000572037784 383749894 /nfs/dbraw/zinc/74/98/94/383749894.db2.gz IABRMCOWWFUUHU-KBPBESRZSA-N 0 3 297.406 2.907 20 30 CFEDHN CCOCCN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000181484274 380803600 /nfs/dbraw/zinc/80/36/00/380803600.db2.gz UYODKWJCWDVFAC-UHFFFAOYSA-N 0 3 275.396 2.505 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccccc1OC(C)C ZINC000341255131 380869813 /nfs/dbraw/zinc/86/98/13/380869813.db2.gz GZQOXNLBKJNJKN-CQSZACIVSA-N 0 3 263.381 2.748 20 30 CFEDHN Cc1cc(C2CCN(CCC(C)(C)C#N)CC2)n[nH]1 ZINC000347004135 380871563 /nfs/dbraw/zinc/87/15/63/380871563.db2.gz AXNNMSGHQOGFOH-UHFFFAOYSA-N 0 3 260.385 2.837 20 30 CFEDHN Cc1cc(C2CCN(CCC(C)(C)C#N)CC2)[nH]n1 ZINC000347004135 380871574 /nfs/dbraw/zinc/87/15/74/380871574.db2.gz AXNNMSGHQOGFOH-UHFFFAOYSA-N 0 3 260.385 2.837 20 30 CFEDHN C=CCC[C@@H](C)NCc1ccncc1OC[C@H]1CCOC1 ZINC000287522455 380854144 /nfs/dbraw/zinc/85/41/44/380854144.db2.gz ZUELSIUKBBBTMO-CABCVRRESA-N 0 3 290.407 2.941 20 30 CFEDHN C=CCN1CCC(Nc2nc(CC)cc(CC)n2)CC1 ZINC000287534224 380858062 /nfs/dbraw/zinc/85/80/62/380858062.db2.gz VSIKIBRYJWLHLU-UHFFFAOYSA-N 0 3 274.412 2.664 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000347018300 380882385 /nfs/dbraw/zinc/88/23/85/380882385.db2.gz TTWQHQVWEISEMO-HNNXBMFYSA-N 0 3 296.455 2.546 20 30 CFEDHN CC(C)(C)C[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000404115134 380899553 /nfs/dbraw/zinc/89/95/53/380899553.db2.gz BYJWPTOSGWUTRY-CYBMUJFWSA-N 0 3 264.344 2.584 20 30 CFEDHN CC[C@@H](O)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358562587 380930664 /nfs/dbraw/zinc/93/06/64/380930664.db2.gz HIDCFHGSQXBCNT-WCQYABFASA-N 0 3 264.344 2.899 20 30 CFEDHN C#CC(C)(C)N(C)Cc1ccc(-n2ccnc2)cc1 ZINC000279244626 194350016 /nfs/dbraw/zinc/35/00/16/194350016.db2.gz KMJXAHAIGBJKSD-UHFFFAOYSA-N 0 3 253.349 2.716 20 30 CFEDHN COc1cccc(CCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358584975 380949905 /nfs/dbraw/zinc/94/99/05/380949905.db2.gz IBICFGZYXXIZIG-GFCCVEGCSA-N 0 3 299.349 2.994 20 30 CFEDHN C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)N(C)C1CC1 ZINC000358596859 380958160 /nfs/dbraw/zinc/95/81/60/380958160.db2.gz WHQGPCFVWDHXPQ-NEPJUHHUSA-N 0 3 275.371 2.831 20 30 CFEDHN C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C[C@H](C)O ZINC000358597786 380960949 /nfs/dbraw/zinc/96/09/49/380960949.db2.gz XUDSDZDWNQYPDB-WOPDTQHZSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@@H](NCCCO[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566102 380932915 /nfs/dbraw/zinc/93/29/15/380932915.db2.gz IDJRRWKAWICTMX-TZMCWYRMSA-N 0 3 292.354 2.544 20 30 CFEDHN C[C@H](N[C@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358567032 380935448 /nfs/dbraw/zinc/93/54/48/380935448.db2.gz IWYSLGGSIBZIFY-AAEUAGOBSA-N 0 3 273.355 2.585 20 30 CFEDHN C[C@H](N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000358569074 380936937 /nfs/dbraw/zinc/93/69/37/380936937.db2.gz LQFSGWXIFNMVSY-NVGCLXPQSA-N 0 3 287.382 2.831 20 30 CFEDHN C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000358569070 380938273 /nfs/dbraw/zinc/93/82/73/380938273.db2.gz LQFSGWXIFNMVSY-BWACUDIHSA-N 0 3 287.382 2.831 20 30 CFEDHN CO[C@H](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358571212 380939629 /nfs/dbraw/zinc/93/96/29/380939629.db2.gz OUXKHCYDFGTNRT-GHMZBOCLSA-N 0 3 250.317 2.773 20 30 CFEDHN CO[C@H](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358571213 380939911 /nfs/dbraw/zinc/93/99/11/380939911.db2.gz OUXKHCYDFGTNRT-MNOVXSKESA-N 0 3 250.317 2.773 20 30 CFEDHN CC[C@@H](COC)N[C@H](C)c1ccc(C#N)cc1F ZINC000358581592 380944759 /nfs/dbraw/zinc/94/47/59/380944759.db2.gz YVZRCLXRWHUVCF-PWSUYJOCSA-N 0 3 250.317 2.773 20 30 CFEDHN CC[C@H](COC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358581578 380945435 /nfs/dbraw/zinc/94/54/35/380945435.db2.gz YVZRCLXRWHUVCF-CMPLNLGQSA-N 0 3 250.317 2.773 20 30 CFEDHN CCC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358583210 380947673 /nfs/dbraw/zinc/94/76/73/380947673.db2.gz GEEVUUNOCRVCSO-IAQYHMDHSA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@H](CCC#N)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000411176331 381015435 /nfs/dbraw/zinc/01/54/35/381015435.db2.gz WJFMDLJVGYPIGE-OAHLLOKOSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@H](CCC#N)N1CCN(CC2CCCCC2)CC1 ZINC000411200340 381015634 /nfs/dbraw/zinc/01/56/34/381015634.db2.gz PFVHCBZPOXSTOK-OAHLLOKOSA-N 0 3 263.429 2.877 20 30 CFEDHN CCCCN(C)C(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000411185764 381015776 /nfs/dbraw/zinc/01/57/76/381015776.db2.gz WTDPFOOXSNHUAX-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(C2CC2)C1=O ZINC000411263244 381020401 /nfs/dbraw/zinc/02/04/01/381020401.db2.gz STOXSRYIOPPGMB-INIZCTEOSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)NC1CC1 ZINC000411253185 381021406 /nfs/dbraw/zinc/02/14/06/381021406.db2.gz CXHPAJJMPCKZTP-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)[C@@H](NC(=O)C(C)C#N)c1ccc(F)c(F)c1 ZINC000358654088 380993884 /nfs/dbraw/zinc/99/38/84/380993884.db2.gz IUPFROJNZDLAQT-NOZJJQNGSA-N 0 3 264.275 2.858 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347284384 381047898 /nfs/dbraw/zinc/04/78/98/381047898.db2.gz BRQZHQLEEUFJSR-GDBMZVCRSA-N 0 3 264.413 2.722 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)CC2CCCC2)c(F)c1 ZINC000341506574 381056194 /nfs/dbraw/zinc/05/61/94/381056194.db2.gz XZWZBDXPBBQYIO-OAHLLOKOSA-N 0 3 290.382 2.976 20 30 CFEDHN COCC1(CNCc2ccc(C#N)o2)CCCCC1 ZINC000289594956 381060321 /nfs/dbraw/zinc/06/03/21/381060321.db2.gz NIGJPPSNZSAKPL-UHFFFAOYSA-N 0 3 262.353 2.838 20 30 CFEDHN COCC1(C)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000358757493 381062524 /nfs/dbraw/zinc/06/25/24/381062524.db2.gz ZYMDNDUGRVKWDD-UHFFFAOYSA-N 0 3 288.391 2.686 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CCO[C@@H]1C1CC1 ZINC000341526645 381067816 /nfs/dbraw/zinc/06/78/16/381067816.db2.gz AMSABAVNPNMLSG-IAGOWNOFSA-N 0 3 288.366 2.992 20 30 CFEDHN Cc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000182346431 381070150 /nfs/dbraw/zinc/07/01/50/381070150.db2.gz NZOUXYPKYWIESU-OAHLLOKOSA-N 0 3 299.418 2.988 20 30 CFEDHN C[C@@H](CNc1nccc(C#N)c1Cl)N1CCCC[C@@H]1C ZINC000341533861 381070325 /nfs/dbraw/zinc/07/03/25/381070325.db2.gz OGPVDVRDLKIEPV-RYUDHWBXSA-N 0 3 292.814 2.703 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000411552070 381032824 /nfs/dbraw/zinc/03/28/24/381032824.db2.gz NEQKJABOTLCULY-CHWSQXEVSA-N 0 3 266.385 2.732 20 30 CFEDHN COCC[C@@H]1CCCCN(Cc2ccc(C#N)o2)C1 ZINC000368658659 381101681 /nfs/dbraw/zinc/10/16/81/381101681.db2.gz KATIFVUCYGKENP-ZDUSSCGKSA-N 0 3 262.353 2.790 20 30 CFEDHN OC[C@H](NCC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000289704089 381110931 /nfs/dbraw/zinc/11/09/31/381110931.db2.gz YEPLUJUVSGHSSJ-INIZCTEOSA-N 0 3 277.795 2.832 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN[C@@H](CO)C1CCCC1 ZINC000289701888 381111560 /nfs/dbraw/zinc/11/15/60/381111560.db2.gz YCFALNWQKZMRCR-HNNXBMFYSA-N 0 3 278.783 2.852 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)Cc1ccc(CO)cc1 ZINC000182611279 381120113 /nfs/dbraw/zinc/12/01/13/381120113.db2.gz ZWYYKKGOFZAJQM-UHFFFAOYSA-N 0 3 266.344 2.683 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1nccn1C)C(C)C ZINC000182371537 381075821 /nfs/dbraw/zinc/07/58/21/381075821.db2.gz MMLNETXDXWRDBE-CVEARBPZSA-N 0 3 290.455 2.769 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@](C)(OC)C1CC1 ZINC000411975546 381079270 /nfs/dbraw/zinc/07/92/70/381079270.db2.gz VIDLJJWXMISHRH-PXAZEXFGSA-N 0 3 288.391 2.860 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SC)c(OC)c1 ZINC000289778632 381153325 /nfs/dbraw/zinc/15/33/25/381153325.db2.gz MOFOIDDTLPFHGU-PWSUYJOCSA-N 0 3 267.394 2.615 20 30 CFEDHN CC#CCCNCc1c[nH]nc1-c1cccc(C)c1 ZINC000354180806 381125466 /nfs/dbraw/zinc/12/54/66/381125466.db2.gz SJJJPYUPLKVJPD-UHFFFAOYSA-N 0 3 253.349 2.888 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2c(Cl)cccc21 ZINC000289731388 381126421 /nfs/dbraw/zinc/12/64/21/381126421.db2.gz KCVNPBLUUTUABA-QMTHXVAHSA-N 0 3 251.757 2.854 20 30 CFEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cc2ccccc2o1 ZINC000182637697 381126769 /nfs/dbraw/zinc/12/67/69/381126769.db2.gz UKNONYDVYSHYNU-CYBMUJFWSA-N 0 3 299.374 2.846 20 30 CFEDHN CCN1CCC(N(C)c2ncc(C#N)cc2Cl)CC1 ZINC000358873267 381134046 /nfs/dbraw/zinc/13/40/46/381134046.db2.gz TYEJILJLMWRCDP-UHFFFAOYSA-N 0 3 278.787 2.527 20 30 CFEDHN N#Cc1ccc(CNCCSCC(F)(F)F)cc1 ZINC000354274123 381176788 /nfs/dbraw/zinc/17/67/88/381176788.db2.gz WDZJZJLNHURRFR-UHFFFAOYSA-N 0 3 274.311 2.943 20 30 CFEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccnc1 ZINC000182892133 381179243 /nfs/dbraw/zinc/17/92/43/381179243.db2.gz CRUOSHQLCJDQML-CYBMUJFWSA-N 0 3 267.332 2.683 20 30 CFEDHN N#Cc1cccc(CNCCSCC(F)(F)F)c1 ZINC000354284580 381183537 /nfs/dbraw/zinc/18/35/37/381183537.db2.gz XTBGQZTZHIICRI-UHFFFAOYSA-N 0 3 274.311 2.943 20 30 CFEDHN CC(C)N(CC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000183032342 381199930 /nfs/dbraw/zinc/19/99/30/381199930.db2.gz XWMHGGUOENUVPO-UHFFFAOYSA-N 0 3 259.353 2.616 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(C#N)c2F)[C@H]2CCCO[C@H]21 ZINC000358992842 381201467 /nfs/dbraw/zinc/20/14/67/381201467.db2.gz AAKFTCQTLONFLW-FVQBIDKESA-N 0 3 288.366 2.991 20 30 CFEDHN CC[C@H](C)[C@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000183056615 381205797 /nfs/dbraw/zinc/20/57/97/381205797.db2.gz QGARZUJQBSWRLI-GJZGRUSLSA-N 0 3 287.407 2.957 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359003828 381208875 /nfs/dbraw/zinc/20/88/75/381208875.db2.gz OKWYJCWJEFBIFB-CJNGLKHVSA-N 0 3 276.355 2.991 20 30 CFEDHN Cn1ncc(Br)c1CNCC(C)(C)CCC#N ZINC000342292128 381253510 /nfs/dbraw/zinc/25/35/10/381253510.db2.gz YGQHIGQJTITGCM-UHFFFAOYSA-N 0 3 299.216 2.602 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NC[C@H](CC)OC)cc1 ZINC000290015195 381261407 /nfs/dbraw/zinc/26/14/07/381261407.db2.gz BYDHANHDLMEVNK-HIFRSBDPSA-N 0 3 261.365 2.774 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1 ZINC000342225254 381221812 /nfs/dbraw/zinc/22/18/12/381221812.db2.gz NHEUWRPCZKQSCY-QWHCGFSZSA-N 0 3 253.292 2.995 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCCCCC)c1 ZINC000289951701 381229736 /nfs/dbraw/zinc/22/97/36/381229736.db2.gz UWVJWYHUBZJEMA-OAHLLOKOSA-N 0 3 293.407 2.901 20 30 CFEDHN CN1CCC[C@]2(CCN(C(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000296062389 381237632 /nfs/dbraw/zinc/23/76/32/381237632.db2.gz CDEPFNWQKSRJIO-KRWDZBQOSA-N 0 3 298.390 2.508 20 30 CFEDHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000296062394 381238163 /nfs/dbraw/zinc/23/81/63/381238163.db2.gz CDEPFNWQKSRJIO-QGZVFWFLSA-N 0 3 298.390 2.508 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000289984711 381248477 /nfs/dbraw/zinc/24/84/77/381248477.db2.gz YBHBZJLAIHNHAZ-KOLCDFICSA-N 0 3 275.270 2.783 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@](CO)(CCC)C2)cc1 ZINC000289985778 381249554 /nfs/dbraw/zinc/24/95/54/381249554.db2.gz BVWOKXGDBNZUGS-GOSISDBHSA-N 0 3 287.403 2.683 20 30 CFEDHN C#C[C@H](NCc1c(CC)nn(C)c1CC)C(C)(C)C ZINC000289988359 381250356 /nfs/dbraw/zinc/25/03/56/381250356.db2.gz CBYYWAKTCXYQJO-HNNXBMFYSA-N 0 3 261.413 2.682 20 30 CFEDHN N#CC(C(=O)c1ccc(OC2CCC2)cc1)c1ccncn1 ZINC000354461082 381286899 /nfs/dbraw/zinc/28/68/99/381286899.db2.gz GQUWJKKPFYWANX-HNNXBMFYSA-N 0 3 293.326 2.898 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)N(C)[C@@H](C)C2)c1 ZINC000354447503 381273690 /nfs/dbraw/zinc/27/36/90/381273690.db2.gz OHVFQWAEOCVITA-GJZGRUSLSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)N(C)[C@H](C)C2)cc1 ZINC000354457487 381282946 /nfs/dbraw/zinc/28/29/46/381282946.db2.gz XZPCPVQXJGYKHG-HUUCEWRRSA-N 0 3 274.408 2.776 20 30 CFEDHN C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cccc(C#N)c1 ZINC000290192068 381336636 /nfs/dbraw/zinc/33/66/36/381336636.db2.gz FYVOYLDVDWMSQO-ULFGMLNVSA-N 0 3 294.354 2.703 20 30 CFEDHN N#Cc1ccc(CNCCc2cn3ccccc3n2)c(F)c1 ZINC000347721868 381314781 /nfs/dbraw/zinc/31/47/81/381314781.db2.gz OFUWBBIWSQXVRO-UHFFFAOYSA-N 0 3 294.333 2.677 20 30 CFEDHN Cc1cc(N2CCN(C3CCC(C)CC3)CC2)cc(C#N)n1 ZINC000342415187 381320230 /nfs/dbraw/zinc/32/02/30/381320230.db2.gz NYISXSOJGVCIIR-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN C=CCn1c([C@H](C)CC)nnc1N1CCCN(CC)CC1 ZINC000290150883 381320284 /nfs/dbraw/zinc/32/02/84/381320284.db2.gz HXGXKDZWPFXJEB-CQSZACIVSA-N 0 3 291.443 2.510 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000342485459 381356058 /nfs/dbraw/zinc/35/60/58/381356058.db2.gz VHPHXMKFHQIEPU-MELADBBJSA-N 0 3 267.417 2.513 20 30 CFEDHN CC(C)C[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000354692747 381405001 /nfs/dbraw/zinc/40/50/01/381405001.db2.gz XENCYPQZCXLXNJ-KRWDZBQOSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCOC1 ZINC000342615531 381435391 /nfs/dbraw/zinc/43/53/91/381435391.db2.gz KTYJATRHKKHLOJ-KRWDZBQOSA-N 0 3 270.376 2.973 20 30 CFEDHN CC(C)(C#N)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000348217824 381471549 /nfs/dbraw/zinc/47/15/49/381471549.db2.gz HDJPICVNNXAIBN-UHFFFAOYSA-N 0 3 282.391 2.666 20 30 CFEDHN C=CCOCCCN1CCc2ccc(C(C)=O)cc2CC1 ZINC000348032690 381454058 /nfs/dbraw/zinc/45/40/58/381454058.db2.gz LMOJSLGMJHCYOU-UHFFFAOYSA-N 0 3 287.403 2.883 20 30 CFEDHN Cc1cn[nH]c1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000290512961 381460116 /nfs/dbraw/zinc/46/01/16/381460116.db2.gz UAOZNFZAAWIJMA-UHFFFAOYSA-N 0 3 296.374 2.633 20 30 CFEDHN C[C@H]1[C@H](C(F)(F)F)CCN1CCCSCC#N ZINC000348293267 381484402 /nfs/dbraw/zinc/48/44/02/381484402.db2.gz ZHSQNCDCBOFWEJ-VHSXEESVSA-N 0 3 266.332 2.906 20 30 CFEDHN C=C(CC)CN(C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348109752 381462086 /nfs/dbraw/zinc/46/20/86/381462086.db2.gz VAYDAGNLIQGSKV-ZIAGYGMSSA-N 0 3 297.443 2.954 20 30 CFEDHN C=CCCC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000359550271 381464311 /nfs/dbraw/zinc/46/43/11/381464311.db2.gz XPHUFEKZCIWBSN-QWHCGFSZSA-N 0 3 264.369 2.791 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1cccnc1C#N ZINC000290641668 381508598 /nfs/dbraw/zinc/50/85/98/381508598.db2.gz NSVYEAWDMNTPJP-ZDUSSCGKSA-N 0 3 258.369 2.630 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000342739300 381509564 /nfs/dbraw/zinc/50/95/64/381509564.db2.gz VBPJTZBVBCZTEJ-MELADBBJSA-N 0 3 252.402 2.672 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCCC[C@H]1C ZINC000342701947 381488471 /nfs/dbraw/zinc/48/84/71/381488471.db2.gz HBJHIUCSEGBQHQ-LSDHHAIUSA-N 0 3 281.444 2.905 20 30 CFEDHN CCCC[C@H](COC)NCc1cnc2ccc(C#N)cn12 ZINC000342797009 381547284 /nfs/dbraw/zinc/54/72/84/381547284.db2.gz MSRCBUANZSFNRO-CQSZACIVSA-N 0 3 286.379 2.501 20 30 CFEDHN Cn1cc(CN[C@@H](c2cccnc2)C2CC2)cc1C#N ZINC000359674551 381547526 /nfs/dbraw/zinc/54/75/26/381547526.db2.gz PZSUSSJJBDLECK-MRXNPFEDSA-N 0 3 266.348 2.533 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CN(C)C(C)C)c1 ZINC000290713103 381529273 /nfs/dbraw/zinc/52/92/73/381529273.db2.gz ONNKCLNZXGBXTB-GFCCVEGCSA-N 0 3 273.380 2.901 20 30 CFEDHN Cc1nn(-c2cccc(F)c2)cc1CNCCCC#N ZINC000414431749 381583765 /nfs/dbraw/zinc/58/37/65/381583765.db2.gz LMURXFKGPXUQRG-UHFFFAOYSA-N 0 3 272.327 2.713 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1ccc(C)nn1)C(C)C ZINC000414272799 381574539 /nfs/dbraw/zinc/57/45/39/381574539.db2.gz OBVRWYGMIPNZQJ-KRWDZBQOSA-N 0 3 288.439 2.573 20 30 CFEDHN C#C[C@@H](NCc1ccccc1N1CCO[C@H](C)C1)C(C)C ZINC000298043911 381577493 /nfs/dbraw/zinc/57/74/93/381577493.db2.gz HQEGINRCCVZQAF-NVXWUHKLSA-N 0 3 286.419 2.659 20 30 CFEDHN C#C[C@H](NCc1ccccc1N1CCO[C@H](C)C1)C(C)C ZINC000298043916 381577789 /nfs/dbraw/zinc/57/77/89/381577789.db2.gz HQEGINRCCVZQAF-WBVHZDCISA-N 0 3 286.419 2.659 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1c[nH]c2nccnc12 ZINC000290924998 381599265 /nfs/dbraw/zinc/59/92/65/381599265.db2.gz QYUCBGDFYXLAJZ-UHFFFAOYSA-N 0 3 282.347 2.782 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000290936525 381603483 /nfs/dbraw/zinc/60/34/83/381603483.db2.gz PLGMUWKZXHRAID-QGZVFWFLSA-N 0 3 295.386 2.651 20 30 CFEDHN N#Cc1cc(CN[C@@H]2CCC[C@H]2OC(F)F)ccc1F ZINC000348522401 381605564 /nfs/dbraw/zinc/60/55/64/381605564.db2.gz XERZNEJJJURSDY-CHWSQXEVSA-N 0 3 284.281 2.947 20 30 CFEDHN C=C(C)CNCc1cn(-c2cccc(F)c2)nc1C ZINC000414434425 381586198 /nfs/dbraw/zinc/58/61/98/381586198.db2.gz MAWBPDJPYDTOEH-UHFFFAOYSA-N 0 3 259.328 2.986 20 30 CFEDHN C#CC(C)(C)N(C)CCC(=O)NCc1ccccc1Cl ZINC000298359172 381591590 /nfs/dbraw/zinc/59/15/90/381591590.db2.gz CGECSIQMWITMBQ-UHFFFAOYSA-N 0 3 292.810 2.690 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3C3CC3)n2c1 ZINC000371419547 381624278 /nfs/dbraw/zinc/62/42/78/381624278.db2.gz NOIXXOUSKMWZIM-OAHLLOKOSA-N 0 3 266.348 2.580 20 30 CFEDHN CN(CC(=O)NCc1ccc(C#N)cc1)C1CCCCCC1 ZINC000298454073 381632464 /nfs/dbraw/zinc/63/24/64/381632464.db2.gz IMNADBAJDDYGDN-UHFFFAOYSA-N 0 3 299.418 2.829 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298475189 381641372 /nfs/dbraw/zinc/64/13/72/381641372.db2.gz RUIJEVGMEHUJRX-PBHICJAKSA-N 0 3 299.418 2.685 20 30 CFEDHN CCCN1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000371495819 381644808 /nfs/dbraw/zinc/64/48/08/381644808.db2.gz TZGJQQNKNUCIFA-CMDGGOBGSA-N 0 3 297.402 2.516 20 30 CFEDHN CC[C@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)N(C)C ZINC000298486657 381646378 /nfs/dbraw/zinc/64/63/78/381646378.db2.gz ADWHHBZJJQXAAD-MRXNPFEDSA-N 0 3 287.407 2.635 20 30 CFEDHN CC(C#N)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000343164693 381664073 /nfs/dbraw/zinc/66/40/73/381664073.db2.gz KJSDHOIPUGEAIV-QMMMGPOBSA-N 0 3 272.682 2.708 20 30 CFEDHN CN(CC1(C#N)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000343311939 381674293 /nfs/dbraw/zinc/67/42/93/381674293.db2.gz QEEUMRGOHGBHNP-UHFFFAOYSA-N 0 3 283.419 2.887 20 30 CFEDHN CC#CCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000185571106 381669287 /nfs/dbraw/zinc/66/92/87/381669287.db2.gz PNDIYTWPPAVPFD-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000185838181 381751138 /nfs/dbraw/zinc/75/11/38/381751138.db2.gz CYZZCIJYETWMKG-RDJZCZTQSA-N 0 3 298.430 2.815 20 30 CFEDHN C[C@H](C(=O)NCCN1CCCCCC1)c1cccc(C#N)c1 ZINC000360003893 381720889 /nfs/dbraw/zinc/72/08/89/381720889.db2.gz VSRMUMNSIMVMHT-HNNXBMFYSA-N 0 3 299.418 2.654 20 30 CFEDHN CC(C)N(CC#Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000292015900 381787599 /nfs/dbraw/zinc/78/75/99/381787599.db2.gz YADUTLZZBYPSLV-INIZCTEOSA-N 0 3 261.340 2.677 20 30 CFEDHN CC(C)CN(CCN(C)C)Cc1cc(C#N)cs1 ZINC000348925684 381768870 /nfs/dbraw/zinc/76/88/70/381768870.db2.gz XLMSYIJOCJZFLU-UHFFFAOYSA-N 0 3 265.426 2.639 20 30 CFEDHN C=CC[C@@H](CC)NCc1cnnn1Cc1ccccc1 ZINC000291809900 381772580 /nfs/dbraw/zinc/77/25/80/381772580.db2.gz XZNAZBXCTXNKHI-OAHLLOKOSA-N 0 3 270.380 2.771 20 30 CFEDHN CC#CCCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000360453621 381778926 /nfs/dbraw/zinc/77/89/26/381778926.db2.gz FMQUFWVEFZXPEF-UHFFFAOYSA-N 0 3 295.386 2.622 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000361382803 381823723 /nfs/dbraw/zinc/82/37/23/381823723.db2.gz XJUWDFDLKQQCHA-ZNMIVQPWSA-N 0 3 262.397 2.696 20 30 CFEDHN Cc1ccoc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000343616285 381844850 /nfs/dbraw/zinc/84/48/50/381844850.db2.gz UUDZFLBCXAZMOJ-HNNXBMFYSA-N 0 3 282.343 2.977 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@](C)(OC)CC1 ZINC000361426385 381829739 /nfs/dbraw/zinc/82/97/39/381829739.db2.gz RTMZGHPNKFYMNH-DOTOQJQBSA-N 0 3 296.455 2.691 20 30 CFEDHN C[C@H]1[C@@H](Nc2nc3c(cc2C#N)CCCC3)CCCN1C ZINC000343603246 381832028 /nfs/dbraw/zinc/83/20/28/381832028.db2.gz RPVFSHAJTUXUKB-WFASDCNBSA-N 0 3 284.407 2.727 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361468524 381833811 /nfs/dbraw/zinc/83/38/11/381833811.db2.gz HCAGKWFTPMZTAF-UONOGXRCSA-N 0 3 279.428 2.505 20 30 CFEDHN C#CCN(CC)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299149678 381843164 /nfs/dbraw/zinc/84/31/64/381843164.db2.gz SGQWQMTWVJBNCK-UHFFFAOYSA-N 0 3 284.403 2.768 20 30 CFEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1ccccc1Cl ZINC000361203683 381807217 /nfs/dbraw/zinc/80/72/17/381807217.db2.gz DDTHUTMTZLMVQH-WDEREUQCSA-N 0 3 280.755 2.773 20 30 CFEDHN CC(C)CN1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000372409346 381808521 /nfs/dbraw/zinc/80/85/21/381808521.db2.gz DSBKHICKJOEBEB-UHFFFAOYSA-N 0 3 277.437 2.783 20 30 CFEDHN C=CCOc1ccc(CN(CC)[C@H]2CCOC2)cc1OC ZINC000361239106 381815128 /nfs/dbraw/zinc/81/51/28/381815128.db2.gz SPIWTTDYDMGCER-HNNXBMFYSA-N 0 3 291.391 2.871 20 30 CFEDHN COCC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000343584033 381816482 /nfs/dbraw/zinc/81/64/82/381816482.db2.gz ZQSJNINWJCPLNA-HNNXBMFYSA-N 0 3 288.391 2.548 20 30 CFEDHN CC(C)CO[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000343585393 381817300 /nfs/dbraw/zinc/81/73/00/381817300.db2.gz TWVDNIAHWXAZAZ-KRWDZBQOSA-N 0 3 272.392 3.000 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000362037433 381881582 /nfs/dbraw/zinc/88/15/82/381881582.db2.gz IAOLOMYUYHNTLL-LOWDOPEQSA-N 0 3 254.761 2.568 20 30 CFEDHN C=C(C)CCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416249529 381884169 /nfs/dbraw/zinc/88/41/69/381884169.db2.gz YBPZAKXRHSWRBE-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)=C(C)C1 ZINC000361622020 381851180 /nfs/dbraw/zinc/85/11/80/381851180.db2.gz YEUKALUFLQYEBY-OAHLLOKOSA-N 0 3 264.413 2.842 20 30 CFEDHN C#CCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000299217782 381862211 /nfs/dbraw/zinc/86/22/11/381862211.db2.gz ILQGXOXQFFCHGF-AWEZNQCLSA-N 0 3 257.333 2.618 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000361862340 381868229 /nfs/dbraw/zinc/86/82/29/381868229.db2.gz MYMMPBTWQXVQLU-MSOLQXFVSA-N 0 3 269.388 2.787 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000361862344 381868297 /nfs/dbraw/zinc/86/82/97/381868297.db2.gz MYMMPBTWQXVQLU-ROUUACIJSA-N 0 3 269.388 2.787 20 30 CFEDHN CNCc1cccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000415944289 381871325 /nfs/dbraw/zinc/87/13/25/381871325.db2.gz OSQROCWQSUOKPF-LBPRGKRZSA-N 0 3 286.379 2.562 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)Nc1cccc(CNC)c1 ZINC000415964399 381871691 /nfs/dbraw/zinc/87/16/91/381871691.db2.gz SODTURXOBMCNHP-HNNXBMFYSA-N 0 3 273.380 2.978 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970556 381872793 /nfs/dbraw/zinc/87/27/93/381872793.db2.gz IKGCLCNOJUZLAC-UHFFFAOYSA-N 0 3 289.379 2.599 20 30 CFEDHN C/C=C/C[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000349378668 381916364 /nfs/dbraw/zinc/91/63/64/381916364.db2.gz MASKHUCTYSCHHG-JCMPJRQWSA-N 0 3 262.328 2.675 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000349400594 381924404 /nfs/dbraw/zinc/92/44/04/381924404.db2.gz DFGILLWSTYNITG-MISXGVKJSA-N 0 3 272.352 2.520 20 30 CFEDHN CC(C)[C@]1(CO)CCCN(Cc2cccc(C#N)c2)C1 ZINC000292895753 381890080 /nfs/dbraw/zinc/89/00/80/381890080.db2.gz ADFNMAYNEXOHBN-QGZVFWFLSA-N 0 3 272.392 2.789 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCCOC(C)C)cc1 ZINC000186641136 381971008 /nfs/dbraw/zinc/97/10/08/381971008.db2.gz AVLMAVNVEQXLMV-CQSZACIVSA-N 0 3 261.365 2.774 20 30 CFEDHN C[C@@H]1CCC[C@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC000356969136 381933773 /nfs/dbraw/zinc/93/37/73/381933773.db2.gz BQSVRFHDAFAPRL-CVEARBPZSA-N 0 3 298.434 2.902 20 30 CFEDHN CC(C)(C#N)CCCCN1CCCC[C@H]1C(=N)NO ZINC000373134955 381934582 /nfs/dbraw/zinc/93/45/82/381934582.db2.gz GFIZEASERVAWDW-LBPRGKRZSA-N 0 3 266.389 2.517 20 30 CFEDHN C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000373401640 381996858 /nfs/dbraw/zinc/99/68/58/381996858.db2.gz ADCSZXVGQXTWDW-GXTWGEPZSA-N 0 3 250.386 2.816 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000350050678 382003568 /nfs/dbraw/zinc/00/35/68/382003568.db2.gz DSUQRQFVOJYEAL-CZUORRHYSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCN(Cc1cn(-c2ccncc2)nc1C)C1CC1 ZINC000350230625 382010250 /nfs/dbraw/zinc/01/02/50/382010250.db2.gz ZBDHVJYOPREXQS-UHFFFAOYSA-N 0 3 268.364 2.726 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343901765 382011558 /nfs/dbraw/zinc/01/15/58/382011558.db2.gz BCZBWNSAMGZSHH-MELADBBJSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000362246969 381976050 /nfs/dbraw/zinc/97/60/50/381976050.db2.gz WWXDLLPGYZDKGB-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCSC(CC)(CC)C1 ZINC000362247757 381976192 /nfs/dbraw/zinc/97/61/92/381976192.db2.gz FDELDAWLSOVVCO-UHFFFAOYSA-N 0 3 296.480 2.795 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(OC)CC1 ZINC000349729640 381986201 /nfs/dbraw/zinc/98/62/01/381986201.db2.gz LDAUHJYGHHAICH-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN CCOc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1OC ZINC000349806355 381990929 /nfs/dbraw/zinc/99/09/29/381990929.db2.gz YKHZYHBLGRFZHI-TZMCWYRMSA-N 0 3 274.364 2.876 20 30 CFEDHN C#CCCCCC(=O)N(C1CC1)C1CCN(CC)CC1 ZINC000362289963 381992812 /nfs/dbraw/zinc/99/28/12/381992812.db2.gz ZUIIBOGGCYREIF-UHFFFAOYSA-N 0 3 276.424 2.655 20 30 CFEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)C(C)C#N ZINC000351596078 382046704 /nfs/dbraw/zinc/04/67/04/382046704.db2.gz RRBYAIWFAGFBML-NRUUGDAUSA-N 0 3 280.755 2.692 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000343984300 382048191 /nfs/dbraw/zinc/04/81/91/382048191.db2.gz LMYAMNQGRZFUDP-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC[C@H](O)CN(CC)Cc1ccc(OC)cc1OC ZINC000351644787 382052480 /nfs/dbraw/zinc/05/24/80/382052480.db2.gz LLOVHLQTBROEBO-HNNXBMFYSA-N 0 3 293.407 2.853 20 30 CFEDHN C=CCOCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000293269338 382055780 /nfs/dbraw/zinc/05/57/80/382055780.db2.gz XWLSEMFUPJVTHH-OAHLLOKOSA-N 0 3 289.375 2.797 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)C(CC)CC ZINC000344015975 382070205 /nfs/dbraw/zinc/07/02/05/382070205.db2.gz DLMZPKALSVNFNU-UHFFFAOYSA-N 0 3 252.402 2.698 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000351072412 382023118 /nfs/dbraw/zinc/02/31/18/382023118.db2.gz HCNOYNJBUGBNLY-UONOGXRCSA-N 0 3 291.443 2.506 20 30 CFEDHN Cn1cc(CN2CCC3(Cc4ccccc4C3)C2)cc1C#N ZINC000373826722 382027928 /nfs/dbraw/zinc/02/79/28/382027928.db2.gz ZLAOOHUUSXNPGE-UHFFFAOYSA-N 0 3 291.398 2.888 20 30 CFEDHN C=C[C@@H](C)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000362378322 382035235 /nfs/dbraw/zinc/03/52/35/382035235.db2.gz DMFBTKDRGMGHEF-CQSZACIVSA-N 0 3 289.423 2.854 20 30 CFEDHN C[C@@H]1CC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000343969286 382040128 /nfs/dbraw/zinc/04/01/28/382040128.db2.gz VGYJRXMLMKRHEI-BPLDGKMQSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418027873 382107860 /nfs/dbraw/zinc/10/78/60/382107860.db2.gz GUAHGFKJEYKUPS-INIZCTEOSA-N 0 3 287.407 2.529 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@@H](n2cncn2)C1 ZINC000375406344 382084644 /nfs/dbraw/zinc/08/46/44/382084644.db2.gz SKMOTRDJQVZQRH-CQSZACIVSA-N 0 3 275.400 2.635 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)CCOC1CCC1 ZINC000344107343 382132840 /nfs/dbraw/zinc/13/28/40/382132840.db2.gz JNEVIULBRYETNH-UHFFFAOYSA-N 0 3 288.391 2.576 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)CCc1ccccn1 ZINC000344115455 382137597 /nfs/dbraw/zinc/13/75/97/382137597.db2.gz NRGNHCHLQFYIJS-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000301313432 382145654 /nfs/dbraw/zinc/14/56/54/382145654.db2.gz DTWAOPNDNXEVRV-MRXNPFEDSA-N 0 3 277.408 2.941 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344127879 382147485 /nfs/dbraw/zinc/14/74/85/382147485.db2.gz XADPDAWTSUAUAG-GDBMZVCRSA-N 0 3 276.424 2.698 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C(C)(C)C)C1 ZINC000344204408 382197071 /nfs/dbraw/zinc/19/70/71/382197071.db2.gz GYHKIFUIFNRMAZ-JKIFEVAISA-N 0 3 293.455 2.797 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362703241 382206554 /nfs/dbraw/zinc/20/65/54/382206554.db2.gz IZHRCQOGORVPSO-LZWOXQAQSA-N 0 3 287.407 2.696 20 30 CFEDHN C=CCOCCN[C@@H](C)[C@H]1OCCc2sccc21 ZINC000293647076 382212687 /nfs/dbraw/zinc/21/26/87/382212687.db2.gz SDYOGTCCHIWECR-SMDDNHRTSA-N 0 3 267.394 2.543 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000344243712 382226171 /nfs/dbraw/zinc/22/61/71/382226171.db2.gz QDVCHFPDJGPJBU-INIZCTEOSA-N 0 3 276.424 2.984 20 30 CFEDHN CN(CCN(C)C1CC1)c1ccc(C#N)c(Cl)c1 ZINC000302240414 382229094 /nfs/dbraw/zinc/22/90/94/382229094.db2.gz HVKOIPXOHOZORB-UHFFFAOYSA-N 0 3 263.772 2.742 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1ccccc1Cl)C(C)C ZINC000302270483 382233387 /nfs/dbraw/zinc/23/33/87/382233387.db2.gz CWXDEJOHCRZJMQ-KBPBESRZSA-N 0 3 251.757 2.621 20 30 CFEDHN N#Cc1cnccc1N1CCCN(Cc2ccccc2)CC1 ZINC000376882643 382186905 /nfs/dbraw/zinc/18/69/05/382186905.db2.gz UDSNUWNIVCXCSM-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccc(C)c(C#N)n2)CC1 ZINC000302631141 382280724 /nfs/dbraw/zinc/28/07/24/382280724.db2.gz JHEZCQXORFWODN-UHFFFAOYSA-N 0 3 270.380 2.714 20 30 CFEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345110947 382285313 /nfs/dbraw/zinc/28/53/13/382285313.db2.gz JWTUJFBJEDFCAV-UONOGXRCSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCOC1 ZINC000345108563 382285357 /nfs/dbraw/zinc/28/53/57/382285357.db2.gz URUVHUCMOFXZFJ-MRXNPFEDSA-N 0 3 256.349 2.583 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H](OC)CC1 ZINC000377241250 382241956 /nfs/dbraw/zinc/24/19/56/382241956.db2.gz QCHYSHUIBXFNQX-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CC(C)(C)CN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000419227765 382250992 /nfs/dbraw/zinc/25/09/92/382250992.db2.gz KXQUWLVGRPALAV-AWEZNQCLSA-N 0 3 260.381 2.618 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000345773719 382311827 /nfs/dbraw/zinc/31/18/27/382311827.db2.gz ZGCXXTCCGLHFJD-GFCCVEGCSA-N 0 3 274.364 2.778 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc2ccccc2s1 ZINC000293879969 382320116 /nfs/dbraw/zinc/32/01/16/382320116.db2.gz CPNQGDQIEIBPEG-UHFFFAOYSA-N 0 3 286.400 2.586 20 30 CFEDHN Cc1cccc([C@@H](NC(=O)C(C)C#N)c2ccccn2)c1 ZINC000345937060 382324407 /nfs/dbraw/zinc/32/44/07/382324407.db2.gz VGORXOYZTCBJOD-XJKSGUPXSA-N 0 3 279.343 2.755 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000346025562 382328521 /nfs/dbraw/zinc/32/85/21/382328521.db2.gz YRDPNTNHRYRKHB-QWRGUYRKSA-N 0 3 290.338 2.951 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1c(C#N)cccc1C#N ZINC000302827821 382329472 /nfs/dbraw/zinc/32/94/72/382329472.db2.gz IFEMZMRGPQKZRK-CYBMUJFWSA-N 0 3 268.364 2.716 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000357808379 382332987 /nfs/dbraw/zinc/33/29/87/382332987.db2.gz URWFPNUHWPTSFO-RKDXNWHRSA-N 0 3 286.253 2.922 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346243265 382337617 /nfs/dbraw/zinc/33/76/17/382337617.db2.gz SHLLCXAVXCGEJQ-GFCCVEGCSA-N 0 3 274.368 2.676 20 30 CFEDHN C=CCCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000346264716 382339131 /nfs/dbraw/zinc/33/91/31/382339131.db2.gz OFALSFDFQCXYRH-BZUAXINKSA-N 0 3 290.451 2.922 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2cc(C#N)ccc2F)C1 ZINC000187907258 382293742 /nfs/dbraw/zinc/29/37/42/382293742.db2.gz ORPGSAPNJXHTSA-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(-c2ccccc2OC)cc1 ZINC000352472875 382351432 /nfs/dbraw/zinc/35/14/32/382351432.db2.gz LNBSGMQRQWIQLO-INIZCTEOSA-N 0 3 283.371 2.999 20 30 CFEDHN C=CC[C@H](CO)NCc1cccn1CCC(C)C ZINC000680484722 542329601 /nfs/dbraw/zinc/32/96/01/542329601.db2.gz MZIPWZDLOHGPKX-CQSZACIVSA-N 0 3 250.386 2.561 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(C)c(C)cc1OC(F)F ZINC000680483827 542330739 /nfs/dbraw/zinc/33/07/39/542330739.db2.gz BNVYLNMOFFGQII-ZDUSSCGKSA-N 0 3 285.334 2.931 20 30 CFEDHN COC[C@@H](C)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000188274211 382381409 /nfs/dbraw/zinc/38/14/09/382381409.db2.gz BNYJBSQQNJBREJ-LBPRGKRZSA-N 0 3 285.309 2.929 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCN(C3CCCC3)C2)s1 ZINC000377995560 382381531 /nfs/dbraw/zinc/38/15/31/382381531.db2.gz GZNFVOVBFPGUGG-GFCCVEGCSA-N 0 3 275.421 2.726 20 30 CFEDHN N#Cc1ccccc1CN(CCO)CC1CCCCC1 ZINC000346532303 382398694 /nfs/dbraw/zinc/39/86/94/382398694.db2.gz MPQWDMSVTMQMEC-UHFFFAOYSA-N 0 3 272.392 2.933 20 30 CFEDHN Cn1ccnc1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000365624200 382425447 /nfs/dbraw/zinc/42/54/47/382425447.db2.gz GSFYGGMINCVWPZ-MRXNPFEDSA-N 0 3 280.375 2.671 20 30 CFEDHN N#Cc1ccc(CNC(=O)CN2CCCC23CCCC3)cc1 ZINC000365516218 382405283 /nfs/dbraw/zinc/40/52/83/382405283.db2.gz PZSQFZZRWIIRIN-UHFFFAOYSA-N 0 3 297.402 2.583 20 30 CFEDHN CC[C@@H](C)[C@](C)(O)CNCc1cc(C#N)cs1 ZINC000304614417 382413610 /nfs/dbraw/zinc/41/36/10/382413610.db2.gz GCAOSLGNGJTXSP-ZWNOBZJWSA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C)(CN1CCCC1)NCc1ccc(C#N)s1 ZINC000308612257 382479378 /nfs/dbraw/zinc/47/93/78/382479378.db2.gz CBDVMCBEQDZFSG-UHFFFAOYSA-N 0 3 263.410 2.584 20 30 CFEDHN C=CCOc1ccc(CNCCC(C)(C)C(=O)OC)cc1 ZINC000352925731 382483192 /nfs/dbraw/zinc/48/31/92/382483192.db2.gz RGZUVXAJNCRXJU-UHFFFAOYSA-N 0 3 291.391 2.930 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352909103 382483282 /nfs/dbraw/zinc/48/32/82/382483282.db2.gz YDWDVCJLAPKDJE-LBPRGKRZSA-N 0 3 284.281 2.604 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352909102 382483685 /nfs/dbraw/zinc/48/36/85/382483685.db2.gz YDWDVCJLAPKDJE-GFCCVEGCSA-N 0 3 284.281 2.604 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@H]1C1CC1 ZINC000353146473 382496521 /nfs/dbraw/zinc/49/65/21/382496521.db2.gz XKTJODPEPLKXKR-OAUYIBNBSA-N 0 3 298.386 2.750 20 30 CFEDHN C=CC[C@H](CO)CNCc1sccc1Br ZINC000308859738 382486958 /nfs/dbraw/zinc/48/69/58/382486958.db2.gz ZITTXFDUWGIEOD-VIFPVBQESA-N 0 3 290.226 2.785 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@@H]21 ZINC000353043575 382490090 /nfs/dbraw/zinc/49/00/90/382490090.db2.gz ZPDCXGLFADMAFH-ZACQAIPSSA-N 0 3 287.403 2.639 20 30 CFEDHN C=CCOCCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420926825 382498217 /nfs/dbraw/zinc/49/82/17/382498217.db2.gz NSDWIIWTJRMHRD-KBPBESRZSA-N 0 3 283.412 2.631 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420941960 382500540 /nfs/dbraw/zinc/50/05/40/382500540.db2.gz GMHPHYZKZGPIRR-NWDGAFQWSA-N 0 3 265.319 2.978 20 30 CFEDHN C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCCC#N)C1 ZINC000420995877 382502593 /nfs/dbraw/zinc/50/25/93/382502593.db2.gz AGAWPJWEPSLHOZ-STQMWFEESA-N 0 3 266.385 2.590 20 30 CFEDHN C=C(C)CN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421024336 382507205 /nfs/dbraw/zinc/50/72/05/382507205.db2.gz PZBXKQFJDFTBEY-OLZOCXBDSA-N 0 3 253.386 2.862 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1nc2ccccc2n1C ZINC000320667562 382538754 /nfs/dbraw/zinc/53/87/54/382538754.db2.gz RRZVNLOJVXJURW-OLZOCXBDSA-N 0 3 273.380 2.551 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(F)c(F)c(F)c1 ZINC000320601226 382538937 /nfs/dbraw/zinc/53/89/37/382538937.db2.gz ACSGKAOEXLGHEQ-SNVBAGLBSA-N 0 3 259.271 2.521 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000294889708 382539820 /nfs/dbraw/zinc/53/98/20/382539820.db2.gz WJYWVRVHSAFAPI-CQSZACIVSA-N 0 3 286.400 2.967 20 30 CFEDHN CC(C)(CCc1ccccc1)NCC(=O)NC1(C#N)CCC1 ZINC000346847794 382542301 /nfs/dbraw/zinc/54/23/01/382542301.db2.gz NOXYCXGGKJAYJX-UHFFFAOYSA-N 0 3 299.418 2.550 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2[C@H](C)CCC[C@@H]2C)n1 ZINC000346852839 382545232 /nfs/dbraw/zinc/54/52/32/382545232.db2.gz QSYBPMHJZJZWHU-OKILXGFUSA-N 0 3 272.396 2.937 20 30 CFEDHN C#CCOc1ccccc1CNCCc1scnc1C ZINC000294952305 382547849 /nfs/dbraw/zinc/54/78/49/382547849.db2.gz HTMTXALJCYRNMJ-UHFFFAOYSA-N 0 3 286.400 2.796 20 30 CFEDHN N#CC(C(=O)c1cncnc1)c1ccc2ccccc2n1 ZINC000680648828 542347704 /nfs/dbraw/zinc/34/77/04/542347704.db2.gz JLSFMDKYGDULBA-CYBMUJFWSA-N 0 3 274.283 2.515 20 30 CFEDHN C=CCc1cc(CN[C@@H](C)[C@H](C)OC)cc(OC)c1O ZINC000189122403 382549253 /nfs/dbraw/zinc/54/92/53/382549253.db2.gz WHZAKDBYRUQTJL-RYUDHWBXSA-N 0 3 279.380 2.642 20 30 CFEDHN C[C@@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000353493051 382551741 /nfs/dbraw/zinc/55/17/41/382551741.db2.gz RFLUUUGDZPZWNK-CYBMUJFWSA-N 0 3 268.364 2.970 20 30 CFEDHN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000328601173 382552949 /nfs/dbraw/zinc/55/29/49/382552949.db2.gz FALBADDPVUKAFV-MRVWCRGKSA-N 0 3 293.411 2.715 20 30 CFEDHN C=CCN1CC[C@H](N(C)C2CC(c3ccccc3)C2)C1=O ZINC000366898636 382554081 /nfs/dbraw/zinc/55/40/81/382554081.db2.gz XTJJBTFQIOQVRA-JCYILVPMSA-N 0 3 284.403 2.651 20 30 CFEDHN C=C(CN[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000353505796 382555232 /nfs/dbraw/zinc/55/52/32/382555232.db2.gz WERNJQKHOOOGJH-GFCCVEGCSA-N 0 3 255.321 2.546 20 30 CFEDHN CC1(C)CCC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000328619762 382555889 /nfs/dbraw/zinc/55/58/89/382555889.db2.gz WGWUIUAOJNVNBO-STQMWFEESA-N 0 3 290.411 2.670 20 30 CFEDHN CC1(C)CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)C1 ZINC000328619762 382555892 /nfs/dbraw/zinc/55/58/92/382555892.db2.gz WGWUIUAOJNVNBO-STQMWFEESA-N 0 3 290.411 2.670 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328635213 382557480 /nfs/dbraw/zinc/55/74/80/382557480.db2.gz BYRLJFCUNWIWMN-DOMZBBRYSA-N 0 3 281.400 2.574 20 30 CFEDHN CCN1CCC[C@H](NC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328652914 382559374 /nfs/dbraw/zinc/55/93/74/382559374.db2.gz KEWNDGSYRZIRSK-OLZOCXBDSA-N 0 3 281.400 2.716 20 30 CFEDHN CCN1CCC[C@H](NC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328652915 382559536 /nfs/dbraw/zinc/55/95/36/382559536.db2.gz KEWNDGSYRZIRSK-STQMWFEESA-N 0 3 281.400 2.716 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000358321167 382566692 /nfs/dbraw/zinc/56/66/92/382566692.db2.gz QZSXEWOEQPHTTM-QWHCGFSZSA-N 0 3 279.380 2.946 20 30 CFEDHN C=C(C)CCNCc1ccc(OC)c(OC)c1OC ZINC000386932875 382593356 /nfs/dbraw/zinc/59/33/56/382593356.db2.gz UEQYLJOSULVASR-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)c(OC)c1)C1CCCC1 ZINC000353657318 382597286 /nfs/dbraw/zinc/59/72/86/382597286.db2.gz JCAUVJLHRGOCEG-INIZCTEOSA-N 0 3 288.391 2.862 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353664149 382600282 /nfs/dbraw/zinc/60/02/82/382600282.db2.gz OWGNUWOMLIRUEF-INMHGKMJSA-N 0 3 298.386 2.867 20 30 CFEDHN CO[C@@H]([C@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000388272472 382604526 /nfs/dbraw/zinc/60/45/26/382604526.db2.gz HCXXKIUKRUWWFO-BONVTDFDSA-N 0 3 262.328 2.600 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NCC(=O)NC2(C#N)CCC2)c1 ZINC000346937855 382578636 /nfs/dbraw/zinc/57/86/36/382578636.db2.gz GLYITNAXAWYEGP-AWEZNQCLSA-N 0 3 285.391 2.517 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](C)COC ZINC000189802047 382641381 /nfs/dbraw/zinc/64/13/81/382641381.db2.gz GHNMFZLSNIICLQ-AWEZNQCLSA-N 0 3 258.365 2.829 20 30 CFEDHN Cc1ccc([C@@H](CNCc2cc(C#N)n(C)c2)N(C)C)cc1 ZINC000190901831 382684272 /nfs/dbraw/zinc/68/42/72/382684272.db2.gz TZUCINBSASWGJS-GOSISDBHSA-N 0 3 296.418 2.598 20 30 CFEDHN Cn1cc(CN2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC000191235719 382696744 /nfs/dbraw/zinc/69/67/44/382696744.db2.gz IRGFTHOOBODHSS-INIZCTEOSA-N 0 3 279.387 2.961 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@H](COC)Cc1ccccc1 ZINC000191506881 382701150 /nfs/dbraw/zinc/70/11/50/382701150.db2.gz HTCKPDOKBAWLPX-IRXDYDNUSA-N 0 3 277.408 2.503 20 30 CFEDHN C=C(C)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192129156 382704938 /nfs/dbraw/zinc/70/49/38/382704938.db2.gz BCPBJEOOUYVNDK-KBPBESRZSA-N 0 3 253.292 2.961 20 30 CFEDHN C[C@H]1CCN(CCOc2ccccc2C#N)CCS1 ZINC000192187515 382705349 /nfs/dbraw/zinc/70/53/49/382705349.db2.gz SYLRVJNTHXTNCE-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)Cc1ccccc1 ZINC000192624693 382710855 /nfs/dbraw/zinc/71/08/55/382710855.db2.gz QWZMGDDUMDSEOK-GOSISDBHSA-N 0 3 280.371 2.594 20 30 CFEDHN C=CCCCCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000193385738 382719458 /nfs/dbraw/zinc/71/94/58/382719458.db2.gz SETJKDXVNCVRFG-LSDHHAIUSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CCCCCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000193407248 382719657 /nfs/dbraw/zinc/71/96/57/382719657.db2.gz YZLXSDOABHHNBE-UONOGXRCSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCN(CCOC)CCSc1ccccc1 ZINC000191086730 382690486 /nfs/dbraw/zinc/69/04/86/382690486.db2.gz WOVNERNCEPHEOD-UHFFFAOYSA-N 0 3 251.395 2.913 20 30 CFEDHN C=CCN1CC[C@H](N(C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000337152302 382768427 /nfs/dbraw/zinc/76/84/27/382768427.db2.gz KRMDVIPLUSSBMP-MSOLQXFVSA-N 0 3 296.414 2.925 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)[C@H](C)C2)C1=O ZINC000337188580 382773664 /nfs/dbraw/zinc/77/36/64/382773664.db2.gz QJUPKAKWRZTQAD-NJAFHUGGSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccccc3C)C[C@H]2C)C1=O ZINC000337194406 382774321 /nfs/dbraw/zinc/77/43/21/382774321.db2.gz VHKWYUWOQMSSNZ-RYRKJORJSA-N 0 3 298.430 2.960 20 30 CFEDHN CC/C=C(\C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000213801937 382777026 /nfs/dbraw/zinc/77/70/26/382777026.db2.gz QNXYSAIOUXWBTM-GIDUJCDVSA-N 0 3 299.418 2.805 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)c2c(C)cccc2C)C1=O ZINC000337206971 382777158 /nfs/dbraw/zinc/77/71/58/382777158.db2.gz NNKPAZUSZNWTJR-HUUCEWRRSA-N 0 3 272.392 2.741 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCOC1 ZINC000337211352 382777970 /nfs/dbraw/zinc/77/79/70/382777970.db2.gz AJOXIVCXPUWTAB-GWCFXTLKSA-N 0 3 296.317 2.674 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2cccs2)C1=O ZINC000337214377 382778867 /nfs/dbraw/zinc/77/88/67/382778867.db2.gz XJZOEVSXLZXEIL-NWDGAFQWSA-N 0 3 264.394 2.576 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000337288033 382794824 /nfs/dbraw/zinc/79/48/24/382794824.db2.gz LIFLBXWQLIACAL-GHMZBOCLSA-N 0 3 272.320 2.870 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@@H]2CCC[C@@H](C)C2)C1=O ZINC000337229359 382781213 /nfs/dbraw/zinc/78/12/13/382781213.db2.gz RTMHNYHXXGQMDV-PMPSAXMXSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCOCCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000337239587 382783524 /nfs/dbraw/zinc/78/35/24/382783524.db2.gz ZSNYRGZOVXUJJT-ZDUSSCGKSA-N 0 3 287.762 2.695 20 30 CFEDHN C[C@@]12CN(Cc3ccc(C#N)cn3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000577073165 382847125 /nfs/dbraw/zinc/84/71/25/382847125.db2.gz LBXGPYDGGHKVIF-WTTBNOFXSA-N 0 3 265.360 2.597 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000337343932 382806511 /nfs/dbraw/zinc/80/65/11/382806511.db2.gz JZCYJFYSGLFLGG-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C#N)C(=O)NCCCc1c[nH]c2ccc(F)cc12 ZINC000337633710 382850300 /nfs/dbraw/zinc/85/03/00/382850300.db2.gz DHDDHJCZLVTJRZ-SNVBAGLBSA-N 0 3 273.311 2.515 20 30 CFEDHN C=CCCCCCN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337417117 382817264 /nfs/dbraw/zinc/81/72/64/382817264.db2.gz RXARQMCBWHXAMF-AWEZNQCLSA-N 0 3 273.442 2.632 20 30 CFEDHN CCC(CC)[C@H](O)CNCc1ccc(C#N)cc1F ZINC000227597244 382838110 /nfs/dbraw/zinc/83/81/10/382838110.db2.gz HKKVJKBNCGLYEU-OAHLLOKOSA-N 0 3 264.344 2.584 20 30 CFEDHN C#CCCN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000493832049 382904959 /nfs/dbraw/zinc/90/49/59/382904959.db2.gz PKBVZVWESDUCPW-AWEZNQCLSA-N 0 3 280.412 2.589 20 30 CFEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493901720 382906419 /nfs/dbraw/zinc/90/64/19/382906419.db2.gz WNPMNFRBATZWLU-ZFWWWQNUSA-N 0 3 296.773 2.917 20 30 CFEDHN C=CCN(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000493982701 382908534 /nfs/dbraw/zinc/90/85/34/382908534.db2.gz SWFMSQAZBIBRBG-ZDUSSCGKSA-N 0 3 266.385 2.646 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCC)cc1 ZINC000577816248 382871384 /nfs/dbraw/zinc/87/13/84/382871384.db2.gz QHAIPBGXXVADNK-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1nc(Cl)c(C#N)s1 ZINC000235103079 382877318 /nfs/dbraw/zinc/87/73/18/382877318.db2.gz IDTGXBDAAHGOIT-VIFPVBQESA-N 0 3 284.816 2.954 20 30 CFEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)CC1CC1 ZINC000533774445 382910706 /nfs/dbraw/zinc/91/07/06/382910706.db2.gz GDTNUCHGHOMLQZ-UHFFFAOYSA-N 0 3 286.375 2.967 20 30 CFEDHN N#Cc1ccc(F)c(CNC2(CCO)CCCCC2)c1 ZINC000440881419 382887389 /nfs/dbraw/zinc/88/73/89/382887389.db2.gz BFWXZJGFYCPTJS-UHFFFAOYSA-N 0 3 276.355 2.872 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000235765353 382887859 /nfs/dbraw/zinc/88/78/59/382887859.db2.gz LIJXSTNDDWDBKP-HOTGVXAUSA-N 0 3 256.349 2.524 20 30 CFEDHN C=C[C@H](C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441037562 382892938 /nfs/dbraw/zinc/89/29/38/382892938.db2.gz HNNSQZWXFALPRZ-HNNXBMFYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=CCC[C@@H](O)CN1CCc2cc(OCC)ccc2C1 ZINC000441074260 382895206 /nfs/dbraw/zinc/89/52/06/382895206.db2.gz XNYWEWSRLJYBBN-MRXNPFEDSA-N 0 3 275.392 2.771 20 30 CFEDHN C=CCCCCN1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000578149550 382895405 /nfs/dbraw/zinc/89/54/05/382895405.db2.gz JGJSURJYSGPKCJ-RRFJBIMHSA-N 0 3 253.386 2.611 20 30 CFEDHN CC(F)(F)CNC(=O)C(C#N)CCc1ccccc1 ZINC000578155733 382895431 /nfs/dbraw/zinc/89/54/31/382895431.db2.gz QODMSQDNEZOGTA-LBPRGKRZSA-N 0 3 266.291 2.530 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338012420 382901303 /nfs/dbraw/zinc/90/13/03/382901303.db2.gz QMWPWKJKYTYANR-MCIONIFRSA-N 0 3 277.412 2.590 20 30 CFEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C1(C#N)CC(C)C1 ZINC000533507361 382901988 /nfs/dbraw/zinc/90/19/88/382901988.db2.gz UMUJTBARULHAKW-ISXOHVOVSA-N 0 3 291.439 2.553 20 30 CFEDHN C=C(CC)CN(C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000494399716 382912780 /nfs/dbraw/zinc/91/27/80/382912780.db2.gz NZUCWUFCRCXOAS-LBPRGKRZSA-N 0 3 256.390 2.798 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccccc2F)cc1 ZINC000338156911 382937137 /nfs/dbraw/zinc/93/71/37/382937137.db2.gz WTWPXMPDCIROIR-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442712939 382948631 /nfs/dbraw/zinc/94/86/31/382948631.db2.gz HWBZYZAZVSNVCE-GRDNDAEWSA-N 0 3 299.418 2.997 20 30 CFEDHN CN(C)Cc1cc(CN[C@H]2CC[C@H](C#N)C2)ccc1F ZINC000442771894 382954542 /nfs/dbraw/zinc/95/45/42/382954542.db2.gz UYAOYKIWURSRJI-WFASDCNBSA-N 0 3 275.371 2.669 20 30 CFEDHN C=C(C)COCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000495047362 382954840 /nfs/dbraw/zinc/95/48/40/382954840.db2.gz HNDCSYXFCOEPOG-CQSZACIVSA-N 0 3 278.400 2.608 20 30 CFEDHN C=C(C)COCC[NH2+][C@@H](c1nnc[n-]1)C1CCCCC1 ZINC000495047362 382954844 /nfs/dbraw/zinc/95/48/44/382954844.db2.gz HNDCSYXFCOEPOG-CQSZACIVSA-N 0 3 278.400 2.608 20 30 CFEDHN C=C(C)COCCN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000495047362 382954847 /nfs/dbraw/zinc/95/48/47/382954847.db2.gz HNDCSYXFCOEPOG-CQSZACIVSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCOc1cccc(CN2CCC(CCO)CC2)c1 ZINC000536631777 382955956 /nfs/dbraw/zinc/95/59/56/382955956.db2.gz HYYQRVVVYRYBLU-UHFFFAOYSA-N 0 3 275.392 2.846 20 30 CFEDHN CCSc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442838540 382959947 /nfs/dbraw/zinc/95/99/47/382959947.db2.gz TUCPVBJFUPNCTP-YPMHNXCESA-N 0 3 261.394 2.975 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000442843140 382960189 /nfs/dbraw/zinc/96/01/89/382960189.db2.gz PSQYGHUSKWUERS-WDEREUQCSA-N 0 3 299.296 2.761 20 30 CFEDHN N#C[C@H]1CC[C@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1 ZINC000442857286 382960761 /nfs/dbraw/zinc/96/07/61/382960761.db2.gz SPIKVHCVILSZLQ-LEWSCRJBSA-N 0 3 291.782 2.538 20 30 CFEDHN Cc1c(CN[C@@H]2CC[C@@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000442857232 382960910 /nfs/dbraw/zinc/96/09/10/382960910.db2.gz PLGSLWBYYLHXQG-DGCLKSJQSA-N 0 3 259.309 2.685 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000442854693 382961412 /nfs/dbraw/zinc/96/14/12/382961412.db2.gz LGECMKFTXQVHHM-WDEREUQCSA-N 0 3 266.291 2.625 20 30 CFEDHN COC(=O)CC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442864460 382961956 /nfs/dbraw/zinc/96/19/56/382961956.db2.gz ZQEHFYXYNNMGFK-KBMXLJTQSA-N 0 3 286.375 2.963 20 30 CFEDHN C=CCCCCCNC(=O)C1CCN(C2CC2)CC1 ZINC000578374671 382916212 /nfs/dbraw/zinc/91/62/12/382916212.db2.gz GRPSBORJUVFZTC-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CC[C@H](NCC1CCC(C#N)CC1)c1ccn(C)n1 ZINC000442875050 382962573 /nfs/dbraw/zinc/96/25/73/382962573.db2.gz VHGCRJWBSQQEQD-RUXDESIVSA-N 0 3 260.385 2.791 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000338147344 382934048 /nfs/dbraw/zinc/93/40/48/382934048.db2.gz BGPHNNISKWQDJS-INIZCTEOSA-N 0 3 297.402 2.567 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000578596681 382935059 /nfs/dbraw/zinc/93/50/59/382935059.db2.gz IJCNBJNOLSONIE-BBBLOLIVSA-N 0 3 262.275 2.726 20 30 CFEDHN N#CCC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000543780747 382973455 /nfs/dbraw/zinc/97/34/55/382973455.db2.gz FGUQCUBPVMZWFS-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN C[C@@H](C(=O)NC(C)(C)C)N(C)CCCCC(C)(C)C#N ZINC000444687540 382977369 /nfs/dbraw/zinc/97/73/69/382977369.db2.gz GSRNGANWVAJREG-ZDUSSCGKSA-N 0 3 281.444 2.941 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444758960 382980521 /nfs/dbraw/zinc/98/05/21/382980521.db2.gz HNOIVAFHZXHWNL-LSDHHAIUSA-N 0 3 268.445 2.508 20 30 CFEDHN C=CC[C@H]1N(CC2(CS(C)(=O)=O)CC2)CCCC1(C)C ZINC000444781723 382981451 /nfs/dbraw/zinc/98/14/51/382981451.db2.gz HBGVMIIOQKWLJL-CQSZACIVSA-N 0 3 299.480 2.878 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N[C@H](C)CC)CCCC1(C)C ZINC000444784684 382981826 /nfs/dbraw/zinc/98/18/26/382981826.db2.gz WGDBDBKWZKZZRW-KGLIPLIRSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NCC(C)C)CCCC1(C)C ZINC000444785985 382981887 /nfs/dbraw/zinc/98/18/87/382981887.db2.gz MLVZOUUCSZOCRZ-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C)[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000446732634 382991278 /nfs/dbraw/zinc/99/12/78/382991278.db2.gz UMDLLGASVMMXAE-HNNXBMFYSA-N 0 3 291.439 2.649 20 30 CFEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](CC)c1ccc(C#N)cc1 ZINC000447590261 382997804 /nfs/dbraw/zinc/99/78/04/382997804.db2.gz BFELTDSXIWBKBF-GVDBMIGSSA-N 0 3 288.391 2.793 20 30 CFEDHN C=CCOCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495590669 382998977 /nfs/dbraw/zinc/99/89/77/382998977.db2.gz DIHXAGTUWOYQEQ-ZIAGYGMSSA-N 0 3 298.427 2.567 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@](C)(CC)C1 ZINC000245451509 383000977 /nfs/dbraw/zinc/00/09/77/383000977.db2.gz PNODUBXBMMBIBS-ZBFHGGJFSA-N 0 3 279.428 2.507 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)nc1 ZINC000579371189 383009884 /nfs/dbraw/zinc/00/98/84/383009884.db2.gz YDFODOMWZJVIJZ-KURKYZTESA-N 0 3 299.418 2.859 20 30 CFEDHN CN1CC[C@H](NCc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245617723 383014545 /nfs/dbraw/zinc/01/45/45/383014545.db2.gz DIDDEHHZFLFIHV-DLBZAZTESA-N 0 3 281.359 2.686 20 30 CFEDHN Cn1cc(CN2CCC(CC#N)CC2)c(-c2ccncc2)n1 ZINC000541921341 382966920 /nfs/dbraw/zinc/96/69/20/382966920.db2.gz DQXSFHQVSBOSLX-UHFFFAOYSA-N 0 3 295.390 2.608 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000541953552 382967814 /nfs/dbraw/zinc/96/78/14/382967814.db2.gz MXACXXUXQDKXSW-NVXWUHKLSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)C[C@H](C)C1 ZINC000443636459 382969760 /nfs/dbraw/zinc/96/97/60/382969760.db2.gz BIPMOXUBAQIDBY-GJZGRUSLSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCCCNC(=O)NCCCN(C)Cc1ccccc1 ZINC000447966056 383035954 /nfs/dbraw/zinc/03/59/54/383035954.db2.gz JWXGDMGNBRCUJK-UHFFFAOYSA-N 0 3 289.423 2.774 20 30 CFEDHN C=CCCCNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448013303 383039118 /nfs/dbraw/zinc/03/91/18/383039118.db2.gz ALXPNSINFIQHST-UHFFFAOYSA-N 0 3 291.395 2.715 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448032339 383041231 /nfs/dbraw/zinc/04/12/31/383041231.db2.gz VDTJLARGNBIEFM-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN COCCN(Cc1cc(C#N)cs1)[C@@H]1CCCSC1 ZINC000448352516 383055986 /nfs/dbraw/zinc/05/59/86/383055986.db2.gz DPVYCGSKSBFBMN-CYBMUJFWSA-N 0 3 296.461 2.964 20 30 CFEDHN COc1ccc(C#N)cc1CN(CCO)[C@@H]1CC[C@@H](C)C1 ZINC000448511551 383061681 /nfs/dbraw/zinc/06/16/81/383061681.db2.gz UUXZSHPYJKROHX-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000496108713 383065459 /nfs/dbraw/zinc/06/54/59/383065459.db2.gz QGTYLPRENKNURE-VNHYZAJKSA-N 0 3 299.374 2.986 20 30 CFEDHN CC1(C)CC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000579969274 383072156 /nfs/dbraw/zinc/07/21/56/383072156.db2.gz FSZAPDMWWOJYPQ-CYBMUJFWSA-N 0 3 291.782 2.928 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1CCC(C)C ZINC000246545824 383080630 /nfs/dbraw/zinc/08/06/30/383080630.db2.gz AUOPRXAQYMVXLB-HOTGVXAUSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@]2(CC=CCC2)C1 ZINC000246411446 383076106 /nfs/dbraw/zinc/07/61/06/383076106.db2.gz RWWFKEWPLXJTKM-NVXWUHKLSA-N 0 3 289.423 2.569 20 30 CFEDHN C=CCCCCN1CCN(c2nc(C)cs2)CC1 ZINC000579554411 383026973 /nfs/dbraw/zinc/02/69/73/383026973.db2.gz PGOCHYJWMDVUSO-UHFFFAOYSA-N 0 3 265.426 2.930 20 30 CFEDHN C=CCCCCN1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000579555325 383027998 /nfs/dbraw/zinc/02/79/98/383027998.db2.gz USDAIDSOOHNSOF-ZDUSSCGKSA-N 0 3 278.400 2.671 20 30 CFEDHN CN(C)CCN(C(=O)CCCCC#N)C1CCCCC1 ZINC000593968570 383123460 /nfs/dbraw/zinc/12/34/60/383123460.db2.gz HMCBHUUSMWEFQC-UHFFFAOYSA-N 0 3 279.428 2.793 20 30 CFEDHN CCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(CC)C1 ZINC000596457163 383126954 /nfs/dbraw/zinc/12/69/54/383126954.db2.gz KWZGMSNOALKMTF-OAHLLOKOSA-N 0 3 286.379 2.506 20 30 CFEDHN CN(CCCC#N)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496257512 383081022 /nfs/dbraw/zinc/08/10/22/383081022.db2.gz VMVPMWOZVSVEGR-UHFFFAOYSA-N 0 3 281.400 2.669 20 30 CFEDHN CC(C)C[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246686782 383093636 /nfs/dbraw/zinc/09/36/36/383093636.db2.gz YDGZABQFFMWYNM-DOTOQJQBSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CC(C)(C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000448689085 383096846 /nfs/dbraw/zinc/09/68/46/383096846.db2.gz GAYDCKVEJZBIBB-UHFFFAOYSA-N 0 3 296.480 2.676 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCC[C@H]1O ZINC000246761214 383101742 /nfs/dbraw/zinc/10/17/42/383101742.db2.gz OVYXUFXCDPMIRL-GDBMZVCRSA-N 0 3 277.795 2.784 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000448919618 383106691 /nfs/dbraw/zinc/10/66/91/383106691.db2.gz BVNXQEZMBOJZSN-YOEHRIQHSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(Cl)CNCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496480731 383106711 /nfs/dbraw/zinc/10/67/11/383106711.db2.gz NJJXPMBIPHPCIR-UHFFFAOYSA-N 0 3 274.792 2.633 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC000448924082 383107569 /nfs/dbraw/zinc/10/75/69/383107569.db2.gz XHEDXDSYTQMJSC-LLVKDONJSA-N 0 3 292.345 2.732 20 30 CFEDHN C[C@H]1CCN(CCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496511000 383109800 /nfs/dbraw/zinc/10/98/00/383109800.db2.gz GYIVYEWZDBPVDX-UONOGXRCSA-N 0 3 295.427 2.773 20 30 CFEDHN C=CCN(C[C@H]1CN(c2ccccc2)CCO1)C1CC1 ZINC000564584920 383170916 /nfs/dbraw/zinc/17/09/16/383170916.db2.gz LHOWNWFATLKYCG-KRWDZBQOSA-N 0 3 272.392 2.542 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H](C)CC ZINC000247454542 383173630 /nfs/dbraw/zinc/17/36/30/383173630.db2.gz DYKBETGWMIJUJV-ZIAGYGMSSA-N 0 3 252.402 2.553 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000247493668 383178143 /nfs/dbraw/zinc/17/81/43/383178143.db2.gz MEJQMVCMJNXIPV-LSDHHAIUSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)c(OC)cc1F ZINC000565779611 383181704 /nfs/dbraw/zinc/18/17/04/383181704.db2.gz RLPUQTNJHXSWBB-FZMZJTMJSA-N 0 3 295.354 2.524 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)nn1 ZINC000565885848 383182090 /nfs/dbraw/zinc/18/20/90/383182090.db2.gz BIRVGJJIEWMUTP-GDBMZVCRSA-N 0 3 297.406 2.675 20 30 CFEDHN CC(C)N1CCCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000566276231 383185419 /nfs/dbraw/zinc/18/54/19/383185419.db2.gz KFGFYCKBOWCRFI-MRXNPFEDSA-N 0 3 291.439 2.792 20 30 CFEDHN CC(C)N1CCCC[C@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000566276230 383185502 /nfs/dbraw/zinc/18/55/02/383185502.db2.gz KFGFYCKBOWCRFI-INIZCTEOSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000339255166 383185842 /nfs/dbraw/zinc/18/58/42/383185842.db2.gz QMYUFWUWDJFRMP-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN1CCC(NCc2cc(OC)ccc2F)CC1 ZINC000339242427 383185992 /nfs/dbraw/zinc/18/59/92/383185992.db2.gz KVQMNVONUZZVNR-UHFFFAOYSA-N 0 3 278.371 2.574 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(C)(C)C ZINC000339258682 383187099 /nfs/dbraw/zinc/18/70/99/383187099.db2.gz XTHKYJAAFNXZNV-ZDUSSCGKSA-N 0 3 279.428 2.695 20 30 CFEDHN C=C(C)[C@@H](CC(=O)NCCN1[C@H](C)CCC[C@@H]1C)OCC ZINC000339362865 383191948 /nfs/dbraw/zinc/19/19/48/383191948.db2.gz SCPMRTXCEPFJNE-OWCLPIDISA-N 0 3 296.455 2.737 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)c1cc[nH]c(=O)c1 ZINC000339454378 383203035 /nfs/dbraw/zinc/20/30/35/383203035.db2.gz JWHDGCBJQUVUME-LLVKDONJSA-N 0 3 253.305 2.510 20 30 CFEDHN C=CCCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000556195458 383150983 /nfs/dbraw/zinc/15/09/83/383150983.db2.gz CSPRJTJXXWXYKL-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN CC#CCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556533871 383151598 /nfs/dbraw/zinc/15/15/98/383151598.db2.gz NXDOSDWGFZBQOY-UHFFFAOYSA-N 0 3 278.346 2.890 20 30 CFEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2ccccc2)CC1 ZINC000556482919 383151828 /nfs/dbraw/zinc/15/18/28/383151828.db2.gz SIZFFFVVDWVEAD-KRWDZBQOSA-N 0 3 296.418 2.684 20 30 CFEDHN CCc1ccc([C@H](CNC[C@@H](C#N)CCC#N)N(C)C)cc1 ZINC000556481490 383151869 /nfs/dbraw/zinc/15/18/69/383151869.db2.gz NYDOHOPRAVGZDV-AEFFLSMTSA-N 0 3 298.434 2.885 20 30 CFEDHN Cc1cnc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000562417433 383158133 /nfs/dbraw/zinc/15/81/33/383158133.db2.gz XZCLJFUSILGGLR-CQSZACIVSA-N 0 3 299.399 2.840 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCN(C)C2)CCCC1 ZINC000562520970 383159476 /nfs/dbraw/zinc/15/94/76/383159476.db2.gz DKZXYHCQLVOXQN-AWEZNQCLSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCCCCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000562542297 383160399 /nfs/dbraw/zinc/16/03/99/383160399.db2.gz QGABQRABXXCFPT-OAHLLOKOSA-N 0 3 253.386 2.613 20 30 CFEDHN C=C(C)[C@@H](NCC[C@H]1CCNC1=O)c1ccc(F)c(F)c1 ZINC000516082887 383162247 /nfs/dbraw/zinc/16/22/47/383162247.db2.gz GWKSGACDBIOWQU-XHDPSFHLSA-N 0 3 294.345 2.698 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H](C)C2CCN(C)CC2)CCC1 ZINC000563194782 383166540 /nfs/dbraw/zinc/16/65/40/383166540.db2.gz OVJVAXGBVIBFCL-CQSZACIVSA-N 0 3 278.440 2.922 20 30 CFEDHN Cn1cc(CNC2CC(C)(F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000449376342 383247700 /nfs/dbraw/zinc/24/77/00/383247700.db2.gz MKRFYNORJRYMJI-UHFFFAOYSA-N 0 3 298.365 2.939 20 30 CFEDHN CC1(C)CN(Cc2ccc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000567245960 383255080 /nfs/dbraw/zinc/25/50/80/383255080.db2.gz BQWANAMTHZTZNR-LSDHHAIUSA-N 0 3 255.365 2.964 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000339608974 383261007 /nfs/dbraw/zinc/26/10/07/383261007.db2.gz LENNPJOTSSFHPZ-ZDUSSCGKSA-N 0 3 289.379 2.536 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339617780 383263389 /nfs/dbraw/zinc/26/33/89/383263389.db2.gz SBFXEWLRCUZWPG-MGPQQGTHSA-N 0 3 257.381 2.644 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000424824284 383272042 /nfs/dbraw/zinc/27/20/42/383272042.db2.gz JFQNNFWKNBHXLM-UHFFFAOYSA-N 0 3 284.469 2.532 20 30 CFEDHN CCCC[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000567431532 383274649 /nfs/dbraw/zinc/27/46/49/383274649.db2.gz OSMMLSCCXRJRHJ-UKRRQHHQSA-N 0 3 267.417 2.551 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(C)cs1 ZINC000280548124 194879044 /nfs/dbraw/zinc/87/90/44/194879044.db2.gz DOLUVRSGZOZTFW-AAEUAGOBSA-N 0 3 252.383 2.522 20 30 CFEDHN CC1=CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000339660671 383277267 /nfs/dbraw/zinc/27/72/67/383277267.db2.gz JKMZHNVBFLFYBR-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2ccccc2C#N)C1(C)C ZINC000339497153 383217190 /nfs/dbraw/zinc/21/71/90/383217190.db2.gz FJSTTZGPPPMBPF-HOCLYGCPSA-N 0 3 258.365 2.851 20 30 CFEDHN C[C@@H](CCCc1cccnc1)NCc1ccc(C#N)cn1 ZINC000567074474 383239149 /nfs/dbraw/zinc/23/91/49/383239149.db2.gz QWRXTNJTHCFMMT-AWEZNQCLSA-N 0 3 280.375 2.849 20 30 CFEDHN CC(C)[C@@H]1C[C@H](CNCc2nc(C#N)cs2)CCO1 ZINC000449489896 383327014 /nfs/dbraw/zinc/32/70/14/383327014.db2.gz BBNRXZXJSDLMJZ-YPMHNXCESA-N 0 3 279.409 2.556 20 30 CFEDHN CC(C)[C@H]1C[C@@H](CNCc2nc(C#N)cs2)CCO1 ZINC000449489895 383327404 /nfs/dbraw/zinc/32/74/04/383327404.db2.gz BBNRXZXJSDLMJZ-WCQYABFASA-N 0 3 279.409 2.556 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000280660713 194919526 /nfs/dbraw/zinc/91/95/26/194919526.db2.gz PAHFWGOZZNHYPV-DGCLKSJQSA-N 0 3 282.365 2.727 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000449493075 383329910 /nfs/dbraw/zinc/32/99/10/383329910.db2.gz KOYWSBRMSKUBPA-CJNGLKHVSA-N 0 3 258.365 2.805 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000249352979 383340445 /nfs/dbraw/zinc/34/04/45/383340445.db2.gz XIYHHKXRTKTWCR-QLFBSQMISA-N 0 3 264.413 2.553 20 30 CFEDHN CC(C)[C@]1(CO)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000339703689 383293071 /nfs/dbraw/zinc/29/30/71/383293071.db2.gz UUPRRSZAMSFFOA-QGZVFWFLSA-N 0 3 290.382 2.928 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000339720218 383296865 /nfs/dbraw/zinc/29/68/65/383296865.db2.gz PZPYILPWTAKPKW-HUUCEWRRSA-N 0 3 276.424 2.698 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424967739 383299579 /nfs/dbraw/zinc/29/95/79/383299579.db2.gz RXLMOZSFUVIMLA-ARFHVFGLSA-N 0 3 281.359 2.567 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)[C@@H](CO)C(C)C ZINC000449512224 383347253 /nfs/dbraw/zinc/34/72/53/383347253.db2.gz OWUPGRMZKPQDTR-LSDHHAIUSA-N 0 3 264.369 2.530 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000248973850 383312526 /nfs/dbraw/zinc/31/25/26/383312526.db2.gz DBYXNQLZFQDQCP-WOSRLPQWSA-N 0 3 286.375 2.750 20 30 CFEDHN COc1ccc(Cl)cc1C(C)(C)NC(=O)C(C)C#N ZINC000425041023 383313959 /nfs/dbraw/zinc/31/39/59/383313959.db2.gz YGLPBZSMIGUVLQ-SECBINFHSA-N 0 3 280.755 2.860 20 30 CFEDHN Cc1cccc2c1CC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000567814781 383318761 /nfs/dbraw/zinc/31/87/61/383318761.db2.gz TVNOXABEHNYFDL-KRWDZBQOSA-N 0 3 265.360 2.982 20 30 CFEDHN N#Cc1ccccc1N1CCCN(C[C@H]2CCC=CO2)CC1 ZINC000249049770 383321950 /nfs/dbraw/zinc/32/19/50/383321950.db2.gz XEBAACVJKCFNJD-QGZVFWFLSA-N 0 3 297.402 2.763 20 30 CFEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC2(C#N)CCC2)C1 ZINC000450292875 383389137 /nfs/dbraw/zinc/38/91/37/383389137.db2.gz WFAQXJZDFGMHNI-LSDHHAIUSA-N 0 3 291.439 2.697 20 30 CFEDHN OCC[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000426263406 383396633 /nfs/dbraw/zinc/39/66/33/383396633.db2.gz LZQXHYNOTPVINI-HNNXBMFYSA-N 0 3 263.768 2.538 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc2c1OC(C)(C)C2 ZINC000449523033 383352713 /nfs/dbraw/zinc/35/27/13/383352713.db2.gz WJMAZLWLMMJOHI-CABCVRRESA-N 0 3 273.376 2.833 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)cc1OC ZINC000449548457 383354211 /nfs/dbraw/zinc/35/42/11/383354211.db2.gz NLLNKHJPEKSHHL-CABCVRRESA-N 0 3 261.365 2.827 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OC)cc1C ZINC000449547627 383354512 /nfs/dbraw/zinc/35/45/12/383354512.db2.gz JDRCKMHEWUPJHG-CABCVRRESA-N 0 3 291.391 2.835 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000568185488 383371419 /nfs/dbraw/zinc/37/14/19/383371419.db2.gz ABNSLPVPHFXBDA-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN CC(C)[C@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470983224 383376641 /nfs/dbraw/zinc/37/66/41/383376641.db2.gz LOLGAGTXFJSXNN-CZUORRHYSA-N 0 3 283.375 2.649 20 30 CFEDHN C=CCCCCCNC(=O)[C@@H]1CCCCN1CC ZINC000568222754 383377444 /nfs/dbraw/zinc/37/74/44/383377444.db2.gz BXQYPISQMCQOMC-AWEZNQCLSA-N 0 3 252.402 2.723 20 30 CFEDHN COc1ccc(CN2CCC[C@@H]3COCC[C@H]32)cc1C#N ZINC000340198721 383379578 /nfs/dbraw/zinc/37/95/78/383379578.db2.gz QVSSQROWUQAEFU-GDBMZVCRSA-N 0 3 286.375 2.568 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCCC1 ZINC000450075560 383379941 /nfs/dbraw/zinc/37/99/41/383379941.db2.gz OLDNSMVLTCPHKJ-ZIAGYGMSSA-N 0 3 276.424 2.864 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CCCC1 ZINC000450097538 383381012 /nfs/dbraw/zinc/38/10/12/383381012.db2.gz PHSBRXCYESHYGM-CABCVRRESA-N 0 3 278.440 2.968 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@H](n2ccnn2)C1 ZINC000425508331 383382515 /nfs/dbraw/zinc/38/25/15/383382515.db2.gz NIKIVDFLQCTPHX-AWEZNQCLSA-N 0 3 275.400 2.635 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C(C)(C)C)C1 ZINC000483228830 383444363 /nfs/dbraw/zinc/44/43/63/383444363.db2.gz AKPYGVRHWKOAKF-YOEHRIQHSA-N 0 3 293.455 2.799 20 30 CFEDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1nccc(C#N)n1)N(C)C ZINC000450534528 383449884 /nfs/dbraw/zinc/44/98/84/383449884.db2.gz FWJNOSADLCJOJY-CZUORRHYSA-N 0 3 295.390 2.760 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485878667 383469208 /nfs/dbraw/zinc/46/92/08/383469208.db2.gz BZSWHQXFJDUDSD-KSZLIROESA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)COCCNC/C=C\c1ccccc1OC ZINC000255156538 383477014 /nfs/dbraw/zinc/47/70/14/383477014.db2.gz CTEQQPYZWDRXAL-VURMDHGXSA-N 0 3 261.365 2.891 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@@]2(C)CCCO2)ccc1C#N ZINC000340397747 383417167 /nfs/dbraw/zinc/41/71/67/383417167.db2.gz VMVGORDUFBJJAF-BLLLJJGKSA-N 0 3 274.364 2.614 20 30 CFEDHN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cc[nH]c(=O)c1 ZINC000340447871 383421967 /nfs/dbraw/zinc/42/19/67/383421967.db2.gz IQIAQLHUKKYQHE-MEDUHNTESA-N 0 3 279.343 2.997 20 30 CFEDHN CC#CCCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429240564 383506629 /nfs/dbraw/zinc/50/66/29/383506629.db2.gz JMVOQUQGAJIECA-CQSZACIVSA-N 0 3 260.356 2.750 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCCNC(=O)C1CCC1 ZINC000429553075 383542934 /nfs/dbraw/zinc/54/29/34/383542934.db2.gz CHWLSZXYGWYXMS-AWEZNQCLSA-N 0 3 299.418 2.857 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000429871119 383575062 /nfs/dbraw/zinc/57/50/62/383575062.db2.gz UQGXBPKAQPRAIU-KGLIPLIRSA-N 0 3 266.429 2.968 20 30 CFEDHN N#CCC1(CNCc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000430047368 383586436 /nfs/dbraw/zinc/58/64/36/383586436.db2.gz SHTGVPSANAIVKC-UHFFFAOYSA-N 0 3 266.348 2.860 20 30 CFEDHN N#CCC1(CNCc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000430047368 383586441 /nfs/dbraw/zinc/58/64/41/383586441.db2.gz SHTGVPSANAIVKC-UHFFFAOYSA-N 0 3 266.348 2.860 20 30 CFEDHN C=C(CC)CN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430283774 383592524 /nfs/dbraw/zinc/59/25/24/383592524.db2.gz KSZBITXUOBYRFJ-QLFBSQMISA-N 0 3 253.386 2.611 20 30 CFEDHN C=CCN(C)CCN(CC)CCOc1ccccc1F ZINC000429723241 383563961 /nfs/dbraw/zinc/56/39/61/383563961.db2.gz UPSBYNPXOXTNEV-UHFFFAOYSA-N 0 3 280.387 2.644 20 30 CFEDHN C=CCN(CC/C=C\c1cncc(OC)c1)CCOC ZINC000570039363 383564931 /nfs/dbraw/zinc/56/49/31/383564931.db2.gz SYZZFAQULOUDTL-ALCCZGGFSA-N 0 3 276.380 2.628 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccnc1C(F)(F)F ZINC000528525143 383570019 /nfs/dbraw/zinc/57/00/19/383570019.db2.gz YQOQLNYYOHPYCZ-MNOVXSKESA-N 0 3 272.270 2.534 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1(C)CC1)C(C)C ZINC000429800222 383570349 /nfs/dbraw/zinc/57/03/49/383570349.db2.gz CBGJKDHKQUPQLQ-HNNXBMFYSA-N 0 3 278.440 2.991 20 30 CFEDHN CO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000451574159 383650218 /nfs/dbraw/zinc/65/02/18/383650218.db2.gz RGOBMEANWJCCSK-XJKCOSOUSA-N 0 3 258.365 2.976 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000451585968 383652803 /nfs/dbraw/zinc/65/28/03/383652803.db2.gz DYHKPHAYBSGVJR-HIFRSBDPSA-N 0 3 290.338 2.519 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451490294 383626247 /nfs/dbraw/zinc/62/62/47/383626247.db2.gz ADGDMLZYKLUHMT-IUIKQTSFSA-N 0 3 288.391 2.716 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@](C)(OC)C1(C)C ZINC000451492924 383627598 /nfs/dbraw/zinc/62/75/98/383627598.db2.gz QWMGARGBNVSWCG-RDJZCZTQSA-N 0 3 288.391 2.860 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451499691 383629849 /nfs/dbraw/zinc/62/98/49/383629849.db2.gz MNPMJOAHWTVBCG-NZVBXONLSA-N 0 3 276.355 2.846 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC000635866373 383657538 /nfs/dbraw/zinc/65/75/38/383657538.db2.gz DRZAVYSIAVKHQX-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN CCCNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433034318 383754173 /nfs/dbraw/zinc/75/41/73/383754173.db2.gz YGKNITMNOIMNBF-HNNXBMFYSA-N 0 3 273.380 2.537 20 30 CFEDHN COCCN(CCC(C)(C)C#N)[C@H]1CCCSC1 ZINC000433181361 383756332 /nfs/dbraw/zinc/75/63/32/383756332.db2.gz LFZCIONNTIALPI-ZDUSSCGKSA-N 0 3 270.442 2.770 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000640014187 383671821 /nfs/dbraw/zinc/67/18/21/383671821.db2.gz XETFEGMRLJRPGH-AWEZNQCLSA-N 0 3 263.381 2.844 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccsc2C)CC1 ZINC000640472122 383804462 /nfs/dbraw/zinc/80/44/62/383804462.db2.gz ONOXIIMCWYJQMZ-UHFFFAOYSA-N 0 3 279.409 2.828 20 30 CFEDHN CCC[C@H](CN[C@H]1CCc2ccc(C#N)cc21)OC ZINC000453241979 383812232 /nfs/dbraw/zinc/81/22/32/383812232.db2.gz DXBUYJQXGWEHLT-ZBFHGGJFSA-N 0 3 258.365 2.950 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccc(C)nc1)CC1CC1 ZINC000646019707 383821594 /nfs/dbraw/zinc/82/15/94/383821594.db2.gz WPGRFVOQWKIVDK-QGZVFWFLSA-N 0 3 274.408 2.929 20 30 CFEDHN COc1cc(CN[C@H]2C[C@H](OC)C23CCC3)ccc1C#N ZINC000453264161 383821999 /nfs/dbraw/zinc/82/19/99/383821999.db2.gz ZPYOIKYLJRDGSG-HOTGVXAUSA-N 0 3 286.375 2.614 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640444018 383795283 /nfs/dbraw/zinc/79/52/83/383795283.db2.gz UORHAXSLBLSPFN-UHFFFAOYSA-N 0 3 287.407 2.723 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453337980 383845531 /nfs/dbraw/zinc/84/55/31/383845531.db2.gz ARKJIUYFDYAFPV-VQISRLSMSA-N 0 3 260.312 2.691 20 30 CFEDHN CC(C)[C@H](NCC#Cc1ccccc1)C1(CO)CC=CC1 ZINC000646083982 383856679 /nfs/dbraw/zinc/85/66/79/383856679.db2.gz NAFMKYHRYSFBRL-SFHVURJKSA-N 0 3 283.415 2.981 20 30 CFEDHN C=C(C)CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640563280 383829411 /nfs/dbraw/zinc/82/94/11/383829411.db2.gz UTJQCDHUSJZXMN-OLZOCXBDSA-N 0 3 273.298 2.687 20 30 CFEDHN CO[C@H](C)CN(CC#Cc1ccc(F)cc1)C(C)C ZINC000438063682 383939858 /nfs/dbraw/zinc/93/98/58/383939858.db2.gz RGBPFIUWEMJSLW-CQSZACIVSA-N 0 3 263.356 2.923 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cc(C#N)cs1 ZINC000438066615 383940147 /nfs/dbraw/zinc/94/01/47/383940147.db2.gz QYFYKOFOSDLVED-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN Cc1ncncc1[C@@H](C)NCCc1cccc(C#N)c1 ZINC000573576951 383955401 /nfs/dbraw/zinc/95/54/01/383955401.db2.gz OAEPFJUEZXZSOD-GFCCVEGCSA-N 0 3 266.348 2.550 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1CC)C(C)C ZINC000438164142 383962118 /nfs/dbraw/zinc/96/21/18/383962118.db2.gz FPBCMLMZVIVLMR-OAGGEKHMSA-N 0 3 293.455 2.783 20 30 CFEDHN CCC(CC)N(CC(=O)N(CC)C[C@H](C)C#N)C1CC1 ZINC000532352453 384013907 /nfs/dbraw/zinc/01/39/07/384013907.db2.gz AICYUFFYEZNYAL-CYBMUJFWSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637368986 384047132 /nfs/dbraw/zinc/04/71/32/384047132.db2.gz DDMTWNGESUEKJC-INIZCTEOSA-N 0 3 291.439 2.777 20 30 CFEDHN Cc1ccc(CCNCc2ccc(C#N)cc2F)o1 ZINC000532589174 384049884 /nfs/dbraw/zinc/04/98/84/384049884.db2.gz KGZXLIBKEHBIHA-UHFFFAOYSA-N 0 3 258.296 2.931 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000637321388 384027939 /nfs/dbraw/zinc/02/79/39/384027939.db2.gz GYNQAKBDKIUSTI-CQSZACIVSA-N 0 3 281.444 2.572 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438688815 384028306 /nfs/dbraw/zinc/02/83/06/384028306.db2.gz XFMVHZMSWLACOG-SNPRPXQTSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000646913641 384096474 /nfs/dbraw/zinc/09/64/74/384096474.db2.gz KPKWFLLPXMSNGU-BZSNNMDCSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000637624021 384140626 /nfs/dbraw/zinc/14/06/26/384140626.db2.gz SOTMVEOCNFYFOG-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@H](CO)NCc1cn(CC)nc1-c1ccccc1 ZINC000641747803 384312777 /nfs/dbraw/zinc/31/27/77/384312777.db2.gz OFSCKSAWRJFANH-MRXNPFEDSA-N 0 3 285.391 2.597 20 30 CFEDHN CN(CCC#N)c1ccc(CNCc2ccn(C)c2)cc1 ZINC000267119455 384302878 /nfs/dbraw/zinc/30/28/78/384302878.db2.gz SZLGOGMSUTVMCY-UHFFFAOYSA-N 0 3 282.391 2.665 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](C)NCC ZINC000637994815 384338182 /nfs/dbraw/zinc/33/81/82/384338182.db2.gz OJWQCQRDYMOBMZ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc(C)cc(Cl)c1 ZINC000641766854 384332242 /nfs/dbraw/zinc/33/22/42/384332242.db2.gz CGBDUSIELUXNAC-CQSZACIVSA-N 0 3 251.757 2.512 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccccc1CC(F)(F)F ZINC000641767756 384333537 /nfs/dbraw/zinc/33/35/37/384333537.db2.gz QIPQSHBIUVZKBE-AWEZNQCLSA-N 0 3 285.309 2.655 20 30 CFEDHN N#Cc1cccc(C2(NCCc3ccncc3)CC2)c1 ZINC000289423714 197339994 /nfs/dbraw/zinc/33/99/94/197339994.db2.gz WRDLDNGIJXPFRU-UHFFFAOYSA-N 0 3 263.344 2.775 20 30 CFEDHN C#Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000289418095 197337777 /nfs/dbraw/zinc/33/77/77/197337777.db2.gz UKYZZUBIYJHYCA-UHFFFAOYSA-N 0 3 265.360 2.771 20 30 CFEDHN C=C(C)[C@@H](CO)N(CC)CCOc1ccccc1C ZINC000643254772 384529926 /nfs/dbraw/zinc/52/99/26/384529926.db2.gz ODPKRGQMLRPSLY-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN OCC[C@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000279153570 384607863 /nfs/dbraw/zinc/60/78/63/384607863.db2.gz AQWWKHORTQRMAP-ZBFHGGJFSA-N 0 3 277.795 2.832 20 30 CFEDHN CN(c1ncccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268456212 384622858 /nfs/dbraw/zinc/62/28/58/384622858.db2.gz CLISHOMFGUVNFJ-QGZVFWFLSA-N 0 3 292.386 2.664 20 30 CFEDHN C#CCOc1ccc([C@H](C)NC[C@H]2CCCCO2)cc1 ZINC000268812763 384665860 /nfs/dbraw/zinc/66/58/60/384665860.db2.gz OWUGCYBHYOAGAU-WMLDXEAASA-N 0 3 273.376 2.918 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(C(=O)OC)o1 ZINC000268897300 384689541 /nfs/dbraw/zinc/68/95/41/384689541.db2.gz PLCIGRZGDOCCFY-MNOVXSKESA-N 0 3 251.326 2.757 20 30 CFEDHN N#Cc1ccc(CNCCCc2nccs2)c(F)c1 ZINC000269407524 384755849 /nfs/dbraw/zinc/75/58/49/384755849.db2.gz IGSVGWKENKVYGR-UHFFFAOYSA-N 0 3 275.352 2.876 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(OC)c1F ZINC000643794300 384763991 /nfs/dbraw/zinc/76/39/91/384763991.db2.gz WOOWLTSZHFUDFO-AAEUAGOBSA-N 0 3 265.328 2.515 20 30 CFEDHN CO[C@@]1(C)CCCN(Cc2ccccc2C#N)CC1 ZINC000280351994 384985480 /nfs/dbraw/zinc/98/54/80/384985480.db2.gz SXDLAGRAEGYZGI-INIZCTEOSA-N 0 3 258.365 2.949 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000638874617 385006888 /nfs/dbraw/zinc/00/68/88/385006888.db2.gz IIZPWKGBIWEKDU-OAHLLOKOSA-N 0 3 292.398 2.977 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000280426285 385013377 /nfs/dbraw/zinc/01/33/77/385013377.db2.gz XEDZLFGYZKVUMZ-NWDGAFQWSA-N 0 3 280.799 2.724 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000270332420 385058760 /nfs/dbraw/zinc/05/87/60/385058760.db2.gz XXHBQJBGYHJUIT-UHFFFAOYSA-N 0 3 297.402 2.523 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000280591037 385071625 /nfs/dbraw/zinc/07/16/25/385071625.db2.gz BJHKANGKECQATN-ABAIWWIYSA-N 0 3 265.328 2.602 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000280591048 385072215 /nfs/dbraw/zinc/07/22/15/385072215.db2.gz BJHKANGKECQATN-XHDPSFHLSA-N 0 3 265.328 2.602 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCCN(C)CC1)c1ccccc1 ZINC000270264654 385035127 /nfs/dbraw/zinc/03/51/27/385035127.db2.gz YQXOKHUZOKAPAL-HNNXBMFYSA-N 0 3 272.392 2.510 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000270387406 385083542 /nfs/dbraw/zinc/08/35/42/385083542.db2.gz RMJJJRBDMNDQMO-RKVPGOIHSA-N 0 3 298.430 2.945 20 30 CFEDHN CN(C)CCN(Cc1ccco1)Cc1ccc(C#N)cc1 ZINC000270689039 385192998 /nfs/dbraw/zinc/19/29/98/385192998.db2.gz ZWWABDVWTZWERO-UHFFFAOYSA-N 0 3 283.375 2.715 20 30 CFEDHN C=CCOCCN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000645113775 385195999 /nfs/dbraw/zinc/19/59/99/385195999.db2.gz QNFSQOSCRLSMQT-GHMZBOCLSA-N 0 3 251.292 2.852 20 30 CFEDHN C#CCCN1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000270581201 385153133 /nfs/dbraw/zinc/15/31/33/385153133.db2.gz IRBWKSGDMYFIOW-UHFFFAOYSA-N 0 3 271.360 2.613 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000347952709 533108448 /nfs/dbraw/zinc/10/84/48/533108448.db2.gz CUTJHFBIIHKPAJ-LBPRGKRZSA-N 0 3 284.315 2.674 20 30 CFEDHN COc1cc(CN(C)C[C@H]2CCCC[C@@H]2O)ccc1C#N ZINC000282127343 385220685 /nfs/dbraw/zinc/22/06/85/385220685.db2.gz BFUAOLBAINHZNJ-CVEARBPZSA-N 0 3 288.391 2.550 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282141776 385225208 /nfs/dbraw/zinc/22/52/08/385225208.db2.gz CDVLHDFOVYWDGX-KRWDZBQOSA-N 0 3 288.391 2.551 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000336000952 533109774 /nfs/dbraw/zinc/10/97/74/533109774.db2.gz GNSOKIHBBANBEY-ZFWWWQNUSA-N 0 3 256.349 2.627 20 30 CFEDHN Cc1nccn1CCCN(CCC#N)CC(C)(C)C ZINC000270712195 385202663 /nfs/dbraw/zinc/20/26/63/385202663.db2.gz ZXNKMOWEOVNUFS-UHFFFAOYSA-N 0 3 262.401 2.843 20 30 CFEDHN C#C[C@@H](NCc1ccnn1-c1ccccc1)C(C)C ZINC000289095745 197233256 /nfs/dbraw/zinc/23/32/56/197233256.db2.gz BUXVRYLBMVGWMH-MRXNPFEDSA-N 0 3 253.349 2.620 20 30 CFEDHN CC(C)C[C@H]1C[C@@H](NCc2ccc(C#N)o2)CCO1 ZINC000271973509 385415980 /nfs/dbraw/zinc/41/59/80/385415980.db2.gz IITCNJFMDWIWSI-WFASDCNBSA-N 0 3 262.353 2.835 20 30 CFEDHN C#CCOc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1 ZINC000282984479 385420855 /nfs/dbraw/zinc/42/08/55/385420855.db2.gz MHUJTZFEVZFUSV-KRWDZBQOSA-N 0 3 295.386 2.599 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC000283313375 385455912 /nfs/dbraw/zinc/45/59/12/385455912.db2.gz ZCWYTYZLWFGNLG-OLZOCXBDSA-N 0 3 293.794 2.869 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000272021611 385428372 /nfs/dbraw/zinc/42/83/72/385428372.db2.gz SBBAFEKAYDXSKW-NHYWBVRUSA-N 0 3 262.328 2.745 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1snc(C)c1C#N ZINC000283730851 385494174 /nfs/dbraw/zinc/49/41/74/385494174.db2.gz HUGSJUSNXOJICG-LLVKDONJSA-N 0 3 264.398 2.610 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H](O)c1ccc(C#N)cc1 ZINC000272332555 385512694 /nfs/dbraw/zinc/51/26/94/385512694.db2.gz WSKVZNRHAXIMEB-SFHVURJKSA-N 0 3 296.370 2.915 20 30 CFEDHN C=CCN(CCc1cnccn1)Cc1cccs1 ZINC000639435505 385525583 /nfs/dbraw/zinc/52/55/83/385525583.db2.gz PHJXSMHNEXMENT-UHFFFAOYSA-N 0 3 259.378 2.769 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000285817741 385558148 /nfs/dbraw/zinc/55/81/48/385558148.db2.gz WWXDIFLSFYSPDB-YXJHDRRASA-N 0 3 299.418 2.705 20 30 CFEDHN C=CCC[C@H](NC[C@@](C)(O)CCOC)c1ccco1 ZINC000286215226 385573368 /nfs/dbraw/zinc/57/33/68/385573368.db2.gz SFBOTTJCRUIUSC-ZFWWWQNUSA-N 0 3 267.369 2.664 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCCc2ccccc21 ZINC000272853618 385633222 /nfs/dbraw/zinc/63/32/22/385633222.db2.gz LLZDXUCUKYHWOD-MRXNPFEDSA-N 0 3 293.432 2.645 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1ccc(CC)cc1 ZINC000272888107 385642695 /nfs/dbraw/zinc/64/26/95/385642695.db2.gz SDFGMVWWLGXLRA-MRXNPFEDSA-N 0 3 295.448 2.891 20 30 CFEDHN CN1CC=C(CNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000274023741 385702018 /nfs/dbraw/zinc/70/20/18/385702018.db2.gz WFMBQMDYTBCTPW-UHFFFAOYSA-N 0 3 282.391 2.506 20 30 CFEDHN CN(C)[C@H](CNc1cccnc1C#N)c1cccs1 ZINC000274023723 385702219 /nfs/dbraw/zinc/70/22/19/385702219.db2.gz LVCRSRHPJRTNHS-CYBMUJFWSA-N 0 3 272.377 2.730 20 30 CFEDHN N#Cc1ncccc1N1CCCN(Cc2ccccc2)CC1 ZINC000274099298 385718549 /nfs/dbraw/zinc/71/85/49/385718549.db2.gz SNCKSSPTCHLZGJ-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN C=C(C)CN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793992 385712353 /nfs/dbraw/zinc/71/23/53/385712353.db2.gz QKVANECQIHRYJC-AWEZNQCLSA-N 0 3 253.349 2.995 20 30 CFEDHN C#CC[C@@H](NC(=O)[C@H](CC)N(CC)CC)c1ccccc1 ZINC000274063371 385712413 /nfs/dbraw/zinc/71/24/13/385712413.db2.gz MCZKHFKWJGTNBM-SJORKVTESA-N 0 3 286.419 2.988 20 30 CFEDHN C#CCN(CCC(=O)Nc1ccccc1SC)C1CC1 ZINC000274152968 385728423 /nfs/dbraw/zinc/72/84/23/385728423.db2.gz LDSSYAFXXBZJJL-UHFFFAOYSA-N 0 3 288.416 2.835 20 30 CFEDHN C=CCN1CCC(Nc2ccnc3cc(F)cnc32)CC1 ZINC000287270155 385816447 /nfs/dbraw/zinc/81/64/47/385816447.db2.gz KKELUIACHZBQMO-UHFFFAOYSA-N 0 3 286.354 2.831 20 30 CFEDHN C/C=C/C[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000274660604 385842977 /nfs/dbraw/zinc/84/29/77/385842977.db2.gz VMIRUKYYYHYEQE-UUSVCDRXSA-N 0 3 262.328 2.675 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(Cl)cn1 ZINC000274921018 385898078 /nfs/dbraw/zinc/89/80/78/385898078.db2.gz PBMHXZPDTLWIKZ-SNVBAGLBSA-N 0 3 254.786 2.752 20 30 CFEDHN C[C@@H]1[C@H](NCc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000288572953 197116224 /nfs/dbraw/zinc/11/62/24/197116224.db2.gz ZVDLYAAHGZOKKL-RDTXWAMCSA-N 0 3 295.386 2.904 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000274812377 385875854 /nfs/dbraw/zinc/87/58/54/385875854.db2.gz VOTWTELGGKXONS-HNNXBMFYSA-N 0 3 291.370 2.988 20 30 CFEDHN C=C(C)CCN(CCOC)Cc1ccc(C#N)cc1 ZINC000274823025 385878397 /nfs/dbraw/zinc/87/83/97/385878397.db2.gz YWHZCXNSKKLWLI-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN C=C(C)CCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000274835480 385880435 /nfs/dbraw/zinc/88/04/35/385880435.db2.gz NEMDHEJSIMCTKK-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](O)C(C)(C)C1 ZINC000275544015 385977934 /nfs/dbraw/zinc/97/79/34/385977934.db2.gz ZJTZFEZKDIGLQI-DOMZBBRYSA-N 0 3 258.365 2.712 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000276943334 386086377 /nfs/dbraw/zinc/08/63/77/386086377.db2.gz KHJDCFPZQVYPHF-HNNXBMFYSA-N 0 3 289.375 2.796 20 30 CFEDHN N#Cc1ccc(CNCCOCC2CCC2)cc1F ZINC000573949460 322675292 /nfs/dbraw/zinc/67/52/92/322675292.db2.gz RCARNMBJFVGBOG-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000281356321 195208453 /nfs/dbraw/zinc/20/84/53/195208453.db2.gz MZRUNNJTGPARBW-AWEZNQCLSA-N 0 3 293.411 2.708 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000287265236 196817712 /nfs/dbraw/zinc/81/77/12/196817712.db2.gz SCYRJOFANKCNML-HOCLYGCPSA-N 0 3 274.408 2.803 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccoc2CC)CC1 ZINC000281463601 195251612 /nfs/dbraw/zinc/25/16/12/195251612.db2.gz RPWWVVLDCCKMGE-UHFFFAOYSA-N 0 3 276.380 2.612 20 30 CFEDHN C=CCCCCN1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000574879001 335054816 /nfs/dbraw/zinc/05/48/16/335054816.db2.gz GTCWKFXHYPHOFB-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN CC(C)(C)OC(=O)[C@]1(C)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000332394681 260005684 /nfs/dbraw/zinc/00/56/84/260005684.db2.gz SIVAAGIWFIHHBY-WOSRLPQWSA-N 0 3 278.396 2.732 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000116940566 260007505 /nfs/dbraw/zinc/00/75/05/260007505.db2.gz YIZKWPLUPYGURF-CYBMUJFWSA-N 0 3 275.396 2.512 20 30 CFEDHN C[C@@H](O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000192723870 262209365 /nfs/dbraw/zinc/20/93/65/262209365.db2.gz ZTDAKERMYAETNO-IVMMDQJWSA-N 0 3 258.365 2.912 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@H]1CCN1Cc1ccccc1 ZINC000716211267 781980398 /nfs/dbraw/zinc/98/03/98/781980398.db2.gz XGBGMWKDRLHGGU-HOTGVXAUSA-N 0 3 257.381 2.543 20 30 CFEDHN C=CCOCCN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000682497781 542559693 /nfs/dbraw/zinc/55/96/93/542559693.db2.gz IVKDWMJWSKZSTC-GFCCVEGCSA-N 0 3 265.401 2.800 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1CSC ZINC000157252628 533269916 /nfs/dbraw/zinc/26/99/16/533269916.db2.gz YETYUQBMRNJEDI-AWEZNQCLSA-N 0 3 276.405 2.894 20 30 CFEDHN COc1ccc(CNCCc2c(C)noc2C)cc1C#N ZINC000174368833 533662766 /nfs/dbraw/zinc/66/27/66/533662766.db2.gz CZHHFPXAFNWSKR-UHFFFAOYSA-N 0 3 285.347 2.504 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1nccc(C#N)c1Cl ZINC000341840580 130085238 /nfs/dbraw/zinc/08/52/38/130085238.db2.gz HLXDQYBURAHFKR-NEPJUHHUSA-N 0 3 292.814 2.561 20 30 CFEDHN CCCCOCCNC1(c2cccc(C#N)c2)CC1 ZINC000341961224 130175760 /nfs/dbraw/zinc/17/57/60/130175760.db2.gz BOBVRADBMFCNNN-UHFFFAOYSA-N 0 3 258.365 2.954 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCC#Cc1ccccc1 ZINC000683022201 542630071 /nfs/dbraw/zinc/63/00/71/542630071.db2.gz DZZGBCKLGNZAKU-APWZRJJASA-N 0 3 279.383 2.792 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccccc1 ZINC000683022206 542630412 /nfs/dbraw/zinc/63/04/12/542630412.db2.gz DZZGBCKLGNZAKU-VQIMIIECSA-N 0 3 279.383 2.792 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000684093868 542764401 /nfs/dbraw/zinc/76/44/01/542764401.db2.gz DNFCNJKXXWOUOF-UAGQMJEPSA-N 0 3 275.392 2.681 20 30 CFEDHN C=CCCCN1CCCN(c2ncccc2F)CC1 ZINC000372611975 393452753 /nfs/dbraw/zinc/45/27/53/393452753.db2.gz SLPAZEGFPIHDFI-UHFFFAOYSA-N 0 3 263.360 2.699 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC)N(C)C ZINC000298405879 393453604 /nfs/dbraw/zinc/45/36/04/393453604.db2.gz WBCXSPRVZNHFKW-MRXNPFEDSA-N 0 3 287.407 2.637 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3ccc(F)cc32)CC1 ZINC000301404354 393470450 /nfs/dbraw/zinc/47/04/50/393470450.db2.gz SPKOSTKZBRDVRA-UHFFFAOYSA-N 0 3 286.354 2.831 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCCNC2=O)CN1C1CC1 ZINC000329511269 393540349 /nfs/dbraw/zinc/54/03/49/393540349.db2.gz BZMOMYDLKJZMPR-UPJWGTAASA-N 0 3 293.411 2.715 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(C#N)cc1C ZINC000186229589 393541449 /nfs/dbraw/zinc/54/14/49/393541449.db2.gz ZLEYIZTUWAOHFL-UHFFFAOYSA-N 0 3 260.381 2.851 20 30 CFEDHN C=CCCCCCN[C@@]1(CO)CCOc2ccccc21 ZINC000374140151 393485164 /nfs/dbraw/zinc/48/51/64/393485164.db2.gz DGCXWNDLSZOVTK-QGZVFWFLSA-N 0 3 275.392 2.993 20 30 CFEDHN C=C(C)CN(C)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000181053013 393488676 /nfs/dbraw/zinc/48/86/76/393488676.db2.gz IDAPPXFTMLWCPM-UHFFFAOYSA-N 0 3 291.391 2.863 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1[C@H](O)c1ccc(OC)cc1 ZINC000374407622 393495374 /nfs/dbraw/zinc/49/53/74/393495374.db2.gz WSHZUFFUTNNPTJ-HZPDHXFCSA-N 0 3 261.365 2.769 20 30 CFEDHN N#CCCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000303980417 393497107 /nfs/dbraw/zinc/49/71/07/393497107.db2.gz FHUGRZZNVOVKHF-INIZCTEOSA-N 0 3 276.355 2.875 20 30 CFEDHN C=CCCCNCc1ccc(Br)cn1 ZINC000308561893 393516310 /nfs/dbraw/zinc/51/63/10/393516310.db2.gz WKSFVPKKFSRYSF-UHFFFAOYSA-N 0 3 255.159 2.900 20 30 CFEDHN CC(C)(C)[C@@H](CCO)NCC#Cc1ccc(F)cc1 ZINC000183694047 393522456 /nfs/dbraw/zinc/52/24/56/393522456.db2.gz XAGXGRXBZPXCKR-OAHLLOKOSA-N 0 3 263.356 2.564 20 30 CFEDHN CCc1noc(C)c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329488067 393537373 /nfs/dbraw/zinc/53/73/73/393537373.db2.gz GWGMEDDNEYMEOX-SNVBAGLBSA-N 0 3 277.368 2.500 20 30 CFEDHN COCC#CCN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000684210996 542776931 /nfs/dbraw/zinc/77/69/31/542776931.db2.gz GQIJRQBHEPLGEQ-INIZCTEOSA-N 0 3 257.377 2.743 20 30 CFEDHN N#Cc1ccc([C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)C(N)=O)cc1 ZINC000331795199 393558178 /nfs/dbraw/zinc/55/81/78/393558178.db2.gz IQHFUTRXJRQSPF-FZKCQIBNSA-N 0 3 299.374 2.682 20 30 CFEDHN C=C(C)COc1cc(CNC[C@H](C)OC)ccc1OC ZINC000191151385 393589984 /nfs/dbraw/zinc/58/99/84/393589984.db2.gz KGTARHISRIXFKU-ZDUSSCGKSA-N 0 3 279.380 2.775 20 30 CFEDHN C#CCCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000192310060 393619887 /nfs/dbraw/zinc/61/98/87/393619887.db2.gz RUTNHPNLDVWXQF-UHFFFAOYSA-N 0 3 290.382 2.519 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000335141021 393646193 /nfs/dbraw/zinc/64/61/93/393646193.db2.gz INZDAHPRCHORQJ-KGLIPLIRSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)c(F)c1 ZINC000411644234 393733561 /nfs/dbraw/zinc/73/35/61/393733561.db2.gz JGXKDQFYVOTOBB-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1oc(CCC)nc1C ZINC000411651703 393735197 /nfs/dbraw/zinc/73/51/97/393735197.db2.gz VZRRAMBBYCYHRE-UHFFFAOYSA-N 0 3 279.428 2.875 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000411696569 393739601 /nfs/dbraw/zinc/73/96/01/393739601.db2.gz UQAUKDCGSOSEQY-WBVHZDCISA-N 0 3 272.392 2.705 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000411714918 393741761 /nfs/dbraw/zinc/74/17/61/393741761.db2.gz AHRFWXPHOGMLEQ-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN COCC[C@@H](c1ccccc1)N1CCC(C#N)CC1 ZINC000412098929 393762170 /nfs/dbraw/zinc/76/21/70/393762170.db2.gz YZPSTCDCOYASHG-INIZCTEOSA-N 0 3 258.365 3.000 20 30 CFEDHN CCN(C)C(=O)[C@@H](NCCC1(C#N)CCCCC1)C(C)C ZINC000411792018 393748818 /nfs/dbraw/zinc/74/88/18/393748818.db2.gz OBDBFBCSWDHMED-HNNXBMFYSA-N 0 3 293.455 2.943 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000335681202 393689192 /nfs/dbraw/zinc/68/91/92/393689192.db2.gz MWHXLUVHWNAZDV-IUCAKERBSA-N 0 3 260.268 2.909 20 30 CFEDHN CO[C@](C)([C@H](C)NCC#Cc1ccccc1)C1CC1 ZINC000411977000 393758487 /nfs/dbraw/zinc/75/84/87/393758487.db2.gz XKVUBEOSYXTZBE-WMLDXEAASA-N 0 3 257.377 2.831 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000411979623 393760126 /nfs/dbraw/zinc/76/01/26/393760126.db2.gz DVOPJHFZLZIQIY-JKSUJKDBSA-N 0 3 271.408 2.885 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC[C@H]2F)cc1 ZINC000412671011 393771343 /nfs/dbraw/zinc/77/13/43/393771343.db2.gz JQQHLWCQLSOUAC-BZUAXINKSA-N 0 3 299.349 2.637 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C#N)c2C)CC1 ZINC000338115882 393775193 /nfs/dbraw/zinc/77/51/93/393775193.db2.gz AZFXKZUAWJYMEP-UHFFFAOYSA-N 0 3 297.402 2.637 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000338344527 393781611 /nfs/dbraw/zinc/78/16/11/393781611.db2.gz NFXNPSMWOKUJFE-GJZGRUSLSA-N 0 3 293.455 2.895 20 30 CFEDHN N#CCCCOc1cccc(CNC[C@H]2CCCO2)c1 ZINC000237819991 393795816 /nfs/dbraw/zinc/79/58/16/393795816.db2.gz YLMACNXOVRMBGC-MRXNPFEDSA-N 0 3 274.364 2.638 20 30 CFEDHN C=CCOCCN(C)CCOc1cccc(Cl)c1 ZINC000338879508 393803631 /nfs/dbraw/zinc/80/36/31/393803631.db2.gz FEOYCYCMENYGPF-UHFFFAOYSA-N 0 3 269.772 2.853 20 30 CFEDHN C=CCOCCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000338893100 393804347 /nfs/dbraw/zinc/80/43/47/393804347.db2.gz HOJWGLUMVODMJK-OAHLLOKOSA-N 0 3 288.391 2.540 20 30 CFEDHN C=CCOCCN1CCC[C@@H](c2nccs2)C1 ZINC000338947947 393805443 /nfs/dbraw/zinc/80/54/43/393805443.db2.gz JRJUDXDHOCKAAJ-GFCCVEGCSA-N 0 3 252.383 2.525 20 30 CFEDHN C[C@@H](Cn1cccn1)NCc1cccc(OCCCC#N)c1 ZINC000338954897 393807600 /nfs/dbraw/zinc/80/76/00/393807600.db2.gz QMCMBAMENJMKAT-HNNXBMFYSA-N 0 3 298.390 2.744 20 30 CFEDHN CN(CCN(C)[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000338983534 393808948 /nfs/dbraw/zinc/80/89/48/393808948.db2.gz ZKXINPSMGHQKQC-ZBFHGGJFSA-N 0 3 257.381 2.747 20 30 CFEDHN CN(CCCC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000339003461 393809095 /nfs/dbraw/zinc/80/90/95/393809095.db2.gz MOWHOEAZVRGDMO-CHWSQXEVSA-N 0 3 266.385 2.732 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000245514150 393812778 /nfs/dbraw/zinc/81/27/78/393812778.db2.gz BLQDWYJEIFFSAI-JKIFEVAISA-N 0 3 297.402 2.784 20 30 CFEDHN C=CCOCCN1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000339059687 393813763 /nfs/dbraw/zinc/81/37/63/393813763.db2.gz HQQBVCKSHIBSIT-IRXDYDNUSA-N 0 3 288.435 2.784 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000339069741 393814861 /nfs/dbraw/zinc/81/48/61/393814861.db2.gz VECZEZCFVMXLHU-ZOWXZIJZSA-N 0 3 283.375 2.914 20 30 CFEDHN C=CCOCCN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000339086285 393816816 /nfs/dbraw/zinc/81/68/16/393816816.db2.gz ZWZLOEFLHOLGQT-OAHLLOKOSA-N 0 3 285.391 2.785 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000343012135 393877292 /nfs/dbraw/zinc/87/72/92/393877292.db2.gz WLCWBNVCIDPFSV-MJBXVCDLSA-N 0 3 267.417 2.513 20 30 CFEDHN CC1(C)CCC[C@H]1N(CC(=O)NCC#N)Cc1ccccc1 ZINC000426797944 393890096 /nfs/dbraw/zinc/89/00/96/393890096.db2.gz COKUYDXMFUMHRS-MRXNPFEDSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCC[C@H](NC[C@]1(CCO)CCOC1)c1ccco1 ZINC000428464544 393897555 /nfs/dbraw/zinc/89/75/55/393897555.db2.gz XRWCWNNSXXCXRZ-HOCLYGCPSA-N 0 3 279.380 2.666 20 30 CFEDHN C[C@@H](CO)N(Cc1cccc(F)c1C#N)C1CCCC1 ZINC000428483785 393898860 /nfs/dbraw/zinc/89/88/60/393898860.db2.gz OSQLLFFKCMXXJV-LBPRGKRZSA-N 0 3 276.355 2.823 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000245968448 393841344 /nfs/dbraw/zinc/84/13/44/393841344.db2.gz VYMUALCTMGBZLO-CKEIUWERSA-N 0 3 297.402 2.641 20 30 CFEDHN C=CCC[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000345482964 393909424 /nfs/dbraw/zinc/90/94/24/393909424.db2.gz KJKNCCVWTMJNKG-JTQLQIEISA-N 0 3 273.423 2.596 20 30 CFEDHN CC(C)(C#N)CCN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000345719697 393915286 /nfs/dbraw/zinc/91/52/86/393915286.db2.gz XUKVZICNHMCWOK-UHFFFAOYSA-N 0 3 285.391 2.690 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346251347 393924410 /nfs/dbraw/zinc/92/44/10/393924410.db2.gz ZAZPXEGQZNXIMH-RBSFLKMASA-N 0 3 278.440 2.777 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H](C)c1ccccc1 ZINC000346241202 393924516 /nfs/dbraw/zinc/92/45/16/393924516.db2.gz NTWGUQPTBNTDOH-HUUCEWRRSA-N 0 3 299.418 2.673 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000346257970 393924570 /nfs/dbraw/zinc/92/45/70/393924570.db2.gz HLOHDDUUXPSKAG-VIFPVBQESA-N 0 3 275.739 2.640 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434753062 394017228 /nfs/dbraw/zinc/01/72/28/394017228.db2.gz PICJPZXJWWTOGS-YJBOKZPZSA-N 0 3 286.419 2.649 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCc1cnccn1 ZINC000271322909 394018868 /nfs/dbraw/zinc/01/88/68/394018868.db2.gz KGXKKQSHGUWTJK-CYBMUJFWSA-N 0 3 266.348 2.584 20 30 CFEDHN CCC[C@@H]1CN(CCCC(C)(C)C#N)CCN1CCOC ZINC000121762340 393959550 /nfs/dbraw/zinc/95/95/50/393959550.db2.gz YNAJFIMEGJMDMZ-MRXNPFEDSA-N 0 3 295.471 2.749 20 30 CFEDHN C[C@H]1C[C@@H]1N1CCN(Cc2ccc(C#N)s2)C[C@@H](C)C1 ZINC000430145661 393961644 /nfs/dbraw/zinc/96/16/44/393961644.db2.gz GSFLIDMBYVZVGM-WWGRRREGSA-N 0 3 289.448 2.782 20 30 CFEDHN C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@H]1O ZINC000349406349 393969452 /nfs/dbraw/zinc/96/94/52/393969452.db2.gz KUKGSOFBDBRRCV-WMLDXEAASA-N 0 3 288.391 2.572 20 30 CFEDHN CC(C)[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1C ZINC000487079770 393982740 /nfs/dbraw/zinc/98/27/40/393982740.db2.gz QTORIXJWSAJIFR-QGZVFWFLSA-N 0 3 298.434 2.608 20 30 CFEDHN CC(C)N1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000127499296 394051884 /nfs/dbraw/zinc/05/18/84/394051884.db2.gz DBOYPOCCOZXAJH-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000437301082 394052464 /nfs/dbraw/zinc/05/24/64/394052464.db2.gz CQVSXSWMLIHGEK-JFUSQASVSA-N 0 3 293.164 2.581 20 30 CFEDHN CC[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000278710349 394062799 /nfs/dbraw/zinc/06/27/99/394062799.db2.gz LNWKJGAODUEOOO-KKUMJFAQSA-N 0 3 258.365 2.758 20 30 CFEDHN CC(C)N1CC[C@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000281158428 394075457 /nfs/dbraw/zinc/07/54/57/394075457.db2.gz LCSLZYWFRPKGQT-QMMMGPOBSA-N 0 3 270.789 2.563 20 30 CFEDHN CC(C)[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356196686 394075433 /nfs/dbraw/zinc/07/54/33/394075433.db2.gz ULFDOYLWANQVMH-ZDUSSCGKSA-N 0 3 286.297 2.684 20 30 CFEDHN N#Cc1ccc([C@H](NCC2CCCCCC2)C(N)=O)cc1 ZINC000419232854 394034891 /nfs/dbraw/zinc/03/48/91/394034891.db2.gz VNCKUAIKLHRJKB-INIZCTEOSA-N 0 3 285.391 2.645 20 30 CFEDHN C#CC(C)(C)N(C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000285991487 394176308 /nfs/dbraw/zinc/17/63/08/394176308.db2.gz FUTUNHZVEOIQNR-UHFFFAOYSA-N 0 3 288.782 2.764 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](CC)c2ccc(OC)cc2)C1=O ZINC000282037507 394114412 /nfs/dbraw/zinc/11/44/12/394114412.db2.gz QRDXQZFDJVEMAE-CVEARBPZSA-N 0 3 288.391 2.523 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC1CC(F)(F)C1 ZINC000358851918 394114566 /nfs/dbraw/zinc/11/45/66/394114566.db2.gz KECIEKBDEUDBMI-AWEZNQCLSA-N 0 3 292.329 2.920 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccccc2C)C1=O ZINC000282037546 394114796 /nfs/dbraw/zinc/11/47/96/394114796.db2.gz QRUFJCZMZWXUDY-SJORKVTESA-N 0 3 284.403 2.919 20 30 CFEDHN C=CCN1CC[C@H](NC(C)(C)c2cccc(C)c2)C1=O ZINC000282057562 394116945 /nfs/dbraw/zinc/11/69/45/394116945.db2.gz RYCNWZKZWAFGNK-HNNXBMFYSA-N 0 3 272.392 2.607 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359002895 394119988 /nfs/dbraw/zinc/11/99/88/394119988.db2.gz AANPXRIYYXTLGK-OFQRWUPVSA-N 0 3 287.407 2.523 20 30 CFEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N(CC)CC ZINC000359172960 394125842 /nfs/dbraw/zinc/12/58/42/394125842.db2.gz XLCCXKAVUAHHHS-LSDHHAIUSA-N 0 3 291.370 2.627 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000285532612 394144259 /nfs/dbraw/zinc/14/42/59/394144259.db2.gz SNKRUXKVOUKEDP-GVDBMIGSSA-N 0 3 284.403 2.557 20 30 CFEDHN CC(C)C[C@H](C)N1CCN(c2cccc(C#N)n2)CC1 ZINC000445488340 394147690 /nfs/dbraw/zinc/14/76/90/394147690.db2.gz CYJISTMAXMTDRG-AWEZNQCLSA-N 0 3 272.396 2.510 20 30 CFEDHN N#CCCCCN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000360323973 394148598 /nfs/dbraw/zinc/14/85/98/394148598.db2.gz SHGXYUIZADZGAN-OAHLLOKOSA-N 0 3 262.328 2.973 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](CCO)CC1 ZINC000421025907 394162700 /nfs/dbraw/zinc/16/27/00/394162700.db2.gz ZMDJJZGHNXLGSW-CQSZACIVSA-N 0 3 288.391 2.551 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000285910718 394165579 /nfs/dbraw/zinc/16/55/79/394165579.db2.gz VXIAASQIOCUSCX-YOEHRIQHSA-N 0 3 287.407 2.563 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000361154907 394166912 /nfs/dbraw/zinc/16/69/12/394166912.db2.gz RMIGEGNNCMBPBM-JSGCOSHPSA-N 0 3 256.353 2.838 20 30 CFEDHN C=CCC[C@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000361154907 394166914 /nfs/dbraw/zinc/16/69/14/394166914.db2.gz RMIGEGNNCMBPBM-JSGCOSHPSA-N 0 3 256.353 2.838 20 30 CFEDHN COc1cc(C#N)ccc1CN([C@@H](C)CO)C1CCCC1 ZINC000287962427 394209961 /nfs/dbraw/zinc/20/99/61/394209961.db2.gz YTZOOHFKFUGCRP-ZDUSSCGKSA-N 0 3 288.391 2.692 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000448924799 394211230 /nfs/dbraw/zinc/21/12/30/394211230.db2.gz ZMGPCLGCLJMZKM-GOEBONIOSA-N 0 3 278.440 2.969 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1cccnc1C#N ZINC000290641666 394232360 /nfs/dbraw/zinc/23/23/60/394232360.db2.gz NSVYEAWDMNTPJP-CYBMUJFWSA-N 0 3 258.369 2.630 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366085299 394239717 /nfs/dbraw/zinc/23/97/17/394239717.db2.gz JRMSGIZNRGXFRU-NWDGAFQWSA-N 0 3 253.777 2.788 20 30 CFEDHN Cc1nsc(NCCN(C)Cc2ccccc2)c1C#N ZINC000286171926 394194377 /nfs/dbraw/zinc/19/43/77/394194377.db2.gz CYBHEGVNCDQDKC-UHFFFAOYSA-N 0 3 286.404 2.867 20 30 CFEDHN CC#CCCN(CC)C[C@@H]1COc2ccccc2O1 ZINC000155028739 394308905 /nfs/dbraw/zinc/30/89/05/394308905.db2.gz CTPZFKRITWYGKT-CQSZACIVSA-N 0 3 259.349 2.562 20 30 CFEDHN C[C@@H]1[C@H](C)N(C)CCN1CCC1(C#N)CCCCC1 ZINC000334565581 289013388 /nfs/dbraw/zinc/01/33/88/289013388.db2.gz PBXDCQJJXQAAEU-LSDHHAIUSA-N 0 3 263.429 2.875 20 30 CFEDHN CCCCN(CC)Cc1cnc2ccc(C#N)cn12 ZINC000158974198 394362626 /nfs/dbraw/zinc/36/26/26/394362626.db2.gz QGLXDSSSHURFBX-UHFFFAOYSA-N 0 3 256.353 2.828 20 30 CFEDHN COc1cc(CNC[C@@H](O)CC2CCCC2)ccc1C#N ZINC000519819317 394378244 /nfs/dbraw/zinc/37/82/44/394378244.db2.gz BVOBDUIVFZOYND-INIZCTEOSA-N 0 3 288.391 2.598 20 30 CFEDHN CCC[C@@]1(C)CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000174453785 394378713 /nfs/dbraw/zinc/37/87/13/394378713.db2.gz GXQBGTDINUCWTE-INIZCTEOSA-N 0 3 279.428 2.651 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc2cc(C#N)ccc2n1 ZINC000525958518 394384002 /nfs/dbraw/zinc/38/40/02/394384002.db2.gz YSKQCFPRSUOPSP-QWHCGFSZSA-N 0 3 280.375 2.635 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CCO)CC1 ZINC000527481783 394386967 /nfs/dbraw/zinc/38/69/67/394386967.db2.gz FFLINYNYARUUSN-ZDUSSCGKSA-N 0 3 258.365 2.714 20 30 CFEDHN C=C(C)[C@H](CO)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000685040467 542889321 /nfs/dbraw/zinc/88/93/21/542889321.db2.gz VDEOOZNJJIETIG-AESZEHBQSA-N 0 3 279.424 2.593 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784855 394405953 /nfs/dbraw/zinc/40/59/53/394405953.db2.gz UATMBTHAGXGNTQ-UXFYUNLUSA-N 0 3 288.416 2.605 20 30 CFEDHN Cc1cc(CN[C@]23C[C@H]2COC3(C)C)ccc1C#N ZINC000527767656 394405287 /nfs/dbraw/zinc/40/52/87/394405287.db2.gz WVWQXUMNRYTQGX-GOEBONIOSA-N 0 3 256.349 2.524 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2ccco2)CC1 ZINC000528447985 394405411 /nfs/dbraw/zinc/40/54/11/394405411.db2.gz JITXHIFDKGWWNV-CQSZACIVSA-N 0 3 290.407 2.930 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(C#N)cc1F ZINC000527803224 394409654 /nfs/dbraw/zinc/40/96/54/394409654.db2.gz DKUFGIBUQHSNHI-KIGUWFBYSA-N 0 3 262.328 2.599 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(C#N)cs1 ZINC000527805263 394410334 /nfs/dbraw/zinc/41/03/34/394410334.db2.gz UXCLKKHVGHONEW-XHSYRHOGSA-N 0 3 250.367 2.521 20 30 CFEDHN C=C(C)CN(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000057623974 542947409 /nfs/dbraw/zinc/94/74/09/542947409.db2.gz CQJXBIOJQXWMCB-CQSZACIVSA-N 0 3 260.381 2.782 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000171512443 335068035 /nfs/dbraw/zinc/06/80/35/335068035.db2.gz YUFYBLFTPXLGCY-IAGOWNOFSA-N 0 3 290.451 2.663 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1C1CC1 ZINC000556075118 394989072 /nfs/dbraw/zinc/98/90/72/394989072.db2.gz KBPYOCFMGSRTLU-AWEZNQCLSA-N 0 3 293.326 2.853 20 30 CFEDHN C[C@@H]1C[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000647189391 395211561 /nfs/dbraw/zinc/21/15/61/395211561.db2.gz RORGQHUTLKJQIZ-RISCZKNCSA-N 0 3 283.293 2.824 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC)c1F ZINC000648763430 395301860 /nfs/dbraw/zinc/30/18/60/395301860.db2.gz OEBBWGVCRRZSBE-OLZOCXBDSA-N 0 3 265.328 2.658 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ncccc1C(F)(F)F ZINC000648821181 395326801 /nfs/dbraw/zinc/32/68/01/395326801.db2.gz SNNYPNOUGOGNNX-JTQLQIEISA-N 0 3 274.286 2.517 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1 ZINC000648922059 395363216 /nfs/dbraw/zinc/36/32/16/395363216.db2.gz BLUJHQPRQDKOEY-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(OC)cc2)CC1 ZINC000649333280 395474186 /nfs/dbraw/zinc/47/41/86/395474186.db2.gz PRUQCSHRYANYSJ-KRWDZBQOSA-N 0 3 275.392 2.812 20 30 CFEDHN C=CCOCCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709589 395556516 /nfs/dbraw/zinc/55/65/16/395556516.db2.gz ROLYGOLVBPTQLW-UHFFFAOYSA-N 0 3 267.266 2.555 20 30 CFEDHN C=CCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649750624 395565540 /nfs/dbraw/zinc/56/55/40/395565540.db2.gz SWJODSJAIFJCPN-ZWKOTPCHSA-N 0 3 286.419 2.538 20 30 CFEDHN C=CCCCN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649829634 395577818 /nfs/dbraw/zinc/57/78/18/395577818.db2.gz NDINUNVJPOVMQY-QGZVFWFLSA-N 0 3 258.409 2.811 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@]2(CC2(F)F)C1 ZINC000649901556 395588105 /nfs/dbraw/zinc/58/81/05/395588105.db2.gz OLMBIDWJQXIYCF-JSGCOSHPSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2cc(OC)ccc21 ZINC000381666302 543089528 /nfs/dbraw/zinc/08/95/28/543089528.db2.gz ORQWHMUJYQSUGM-MRXNPFEDSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCOCCNCc1ccccc1C(F)(F)F ZINC000385411882 543102286 /nfs/dbraw/zinc/10/22/86/543102286.db2.gz CNMNAVLDTAZIAY-UHFFFAOYSA-N 0 3 259.271 2.998 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CO)CC(C)C ZINC000040775695 397552636 /nfs/dbraw/zinc/55/26/36/397552636.db2.gz BYAYZPOZEKYGCY-OAHLLOKOSA-N 0 3 263.381 2.748 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(C)cc1 ZINC000046342175 397581217 /nfs/dbraw/zinc/58/12/17/397581217.db2.gz JOUDIWYCQSIYOB-HNNXBMFYSA-N 0 3 263.381 2.633 20 30 CFEDHN CN(C)Cc1cnc(CNCC2CCC(C#N)CC2)s1 ZINC000352857939 397658728 /nfs/dbraw/zinc/65/87/28/397658728.db2.gz LBGAKPMFMLUCQE-UHFFFAOYSA-N 0 3 292.452 2.624 20 30 CFEDHN CCOCCOCCN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000190261150 286103818 /nfs/dbraw/zinc/10/38/18/286103818.db2.gz CKFKCWIIPPLDDW-CQSZACIVSA-N 0 3 276.380 2.604 20 30 CFEDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2F)C1 ZINC000356357427 155238112 /nfs/dbraw/zinc/23/81/12/155238112.db2.gz FTZANYQIYWHZSK-SWLSCSKDSA-N 0 3 276.355 2.680 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000345694353 154241982 /nfs/dbraw/zinc/24/19/82/154241982.db2.gz AQNUZLPPYLJHBR-JIMOISOXSA-N 0 3 264.394 2.769 20 30 CFEDHN C[C@H](NCCOC(F)(F)F)c1cccc(C#N)c1 ZINC000348063065 154302612 /nfs/dbraw/zinc/30/26/12/154302612.db2.gz VPSRMUJHPDGNTA-VIFPVBQESA-N 0 3 258.243 2.745 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000348183544 154352877 /nfs/dbraw/zinc/35/28/77/154352877.db2.gz NFEGCXOPTFDKJT-IUODEOHRSA-N 0 3 278.783 2.852 20 30 CFEDHN C[C@@H](NC[C@@H](CO)c1cccnc1)c1ccc(C#N)cc1F ZINC000348207295 154362825 /nfs/dbraw/zinc/36/28/25/154362825.db2.gz OSURWOMLVOCMPN-DOMZBBRYSA-N 0 3 299.349 2.519 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000355782803 155085337 /nfs/dbraw/zinc/08/53/37/155085337.db2.gz FWEYBXJZHCIPHR-KFWWJZLASA-N 0 3 299.418 2.541 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360206129 156051008 /nfs/dbraw/zinc/05/10/08/156051008.db2.gz YSFONPFELJLFTR-YOEHRIQHSA-N 0 3 299.418 2.652 20 30 CFEDHN Cc1noc([C@@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000362921840 156114772 /nfs/dbraw/zinc/11/47/72/156114772.db2.gz KEAGQUCQCMKHNR-MRXNPFEDSA-N 0 3 296.374 2.938 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC12CCOCC2 ZINC000363109289 156150071 /nfs/dbraw/zinc/15/00/71/156150071.db2.gz OWSVKWUOSPBIOW-UHFFFAOYSA-N 0 3 286.375 2.712 20 30 CFEDHN N#Cc1cc(F)ccc1CNC1(C2CC2)CCOCC1 ZINC000367021232 156267978 /nfs/dbraw/zinc/26/79/78/156267978.db2.gz LTENAIPPSMCBES-UHFFFAOYSA-N 0 3 274.339 2.746 20 30 CFEDHN C[C@H](F)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000367542331 156347072 /nfs/dbraw/zinc/34/70/72/156347072.db2.gz YUOKDXHUOBKQOM-AWEZNQCLSA-N 0 3 275.371 2.818 20 30 CFEDHN Cn1cc(CN2CCC(Cc3ccccn3)CC2)cc1C#N ZINC000373813313 157032736 /nfs/dbraw/zinc/03/27/36/157032736.db2.gz SWQDNOOMKKYAPJ-UHFFFAOYSA-N 0 3 294.402 2.746 20 30 CFEDHN N#Cc1ccc(C2=CCN(CCn3ccnc3)CC2)cc1 ZINC000374301069 157095852 /nfs/dbraw/zinc/09/58/52/157095852.db2.gz HQABQXZWQWIFNC-UHFFFAOYSA-N 0 3 278.359 2.544 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](OC)CC1 ZINC000374665834 157146652 /nfs/dbraw/zinc/14/66/52/157146652.db2.gz WEHRAQOJMIERQJ-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccc(C#N)s1 ZINC000375024240 157184732 /nfs/dbraw/zinc/18/47/32/157184732.db2.gz WQNISYGPADUSGY-WFBYXXMGSA-N 0 3 262.378 2.838 20 30 CFEDHN Cn1ccnc1[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000376046068 157318187 /nfs/dbraw/zinc/31/81/87/157318187.db2.gz YISMIEABCRMMJS-GFCCVEGCSA-N 0 3 286.404 2.733 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000651273555 413390871 /nfs/dbraw/zinc/39/08/71/413390871.db2.gz QKCXTPSNWNUVHB-CVEARBPZSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)CCc2ccco2)nn1 ZINC000657288559 413399328 /nfs/dbraw/zinc/39/93/28/413399328.db2.gz DANGQFZHMDXFJL-ZDUSSCGKSA-N 0 3 274.368 2.558 20 30 CFEDHN C=CCCn1cc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)nn1 ZINC000653612326 413405271 /nfs/dbraw/zinc/40/52/71/413405271.db2.gz KKWHJYBLZSTDBQ-NUEKZKHPSA-N 0 3 274.412 2.865 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)nn1 ZINC000653621022 413407597 /nfs/dbraw/zinc/40/75/97/413407597.db2.gz ZSTXFUXDZHMUHN-UMVBOHGHSA-N 0 3 262.401 2.769 20 30 CFEDHN COCC[C@H](Cc1ccco1)NCc1cc(C#N)cs1 ZINC000344327226 162010630 /nfs/dbraw/zinc/01/06/30/162010630.db2.gz OQUYJYBBFDXINW-CYBMUJFWSA-N 0 3 290.388 2.950 20 30 CFEDHN COCC[C@@H](Cc1ccco1)NCc1ccc(C#N)s1 ZINC000344326789 162010880 /nfs/dbraw/zinc/01/08/80/162010880.db2.gz OCVIGHVCYRAIIV-LBPRGKRZSA-N 0 3 290.388 2.950 20 30 CFEDHN CCCCN(C)CCNCc1ccc(C#N)cc1F ZINC000344404440 162034836 /nfs/dbraw/zinc/03/48/36/162034836.db2.gz DMMHGNHSXIJCLP-UHFFFAOYSA-N 0 3 263.360 2.519 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCc1cccc(C#N)c1 ZINC000344719509 162107890 /nfs/dbraw/zinc/10/78/90/162107890.db2.gz WIHNHBLFGSKZIC-UHFFFAOYSA-N 0 3 274.364 2.770 20 30 CFEDHN N#Cc1ccc(CNCCCc2ccc3c(c2)OCCO3)o1 ZINC000344769656 162120428 /nfs/dbraw/zinc/12/04/28/162120428.db2.gz HFSAHBSVWVFZOO-UHFFFAOYSA-N 0 3 298.342 2.645 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000346237838 162359583 /nfs/dbraw/zinc/35/95/83/162359583.db2.gz MTKOCLFRWFXCEX-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCCn1cc(CNc2cccc(CN(C)C)c2)nn1 ZINC000657322534 413445800 /nfs/dbraw/zinc/44/58/00/413445800.db2.gz ROVAPSRSLPBWIR-UHFFFAOYSA-N 0 3 285.395 2.528 20 30 CFEDHN COCCN(CC[C@@H](C)F)Cc1ccc(C#N)cc1 ZINC000351859491 163206186 /nfs/dbraw/zinc/20/61/86/163206186.db2.gz WUZQXOUANJXLHV-CYBMUJFWSA-N 0 3 264.344 2.755 20 30 CFEDHN CS[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352809061 163238735 /nfs/dbraw/zinc/23/87/35/163238735.db2.gz FQHRSBAXMISLLS-MWLCHTKSSA-N 0 3 267.423 2.779 20 30 CFEDHN C[S@@](=O)Cc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000353121749 163310196 /nfs/dbraw/zinc/31/01/96/163310196.db2.gz SSGUGGNPUVJNAV-OAQYLSRUSA-N 0 3 298.411 2.727 20 30 CFEDHN CCCN1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000353128527 163310308 /nfs/dbraw/zinc/31/03/08/163310308.db2.gz RLXAXWZNNCFAHY-GFCCVEGCSA-N 0 3 263.410 2.584 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCc1cccc(CO)c1)CC2 ZINC000353427508 163363011 /nfs/dbraw/zinc/36/30/11/163363011.db2.gz OMLDGPZJYPSNSG-GOSISDBHSA-N 0 3 278.355 2.828 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651452847 413472695 /nfs/dbraw/zinc/47/26/95/413472695.db2.gz FDTSLATYJNFLAM-QKCSRTOESA-N 0 3 288.347 2.918 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651452848 413473911 /nfs/dbraw/zinc/47/39/11/413473911.db2.gz FDTSLATYJNFLAM-SUHUHFCYSA-N 0 3 288.347 2.918 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1CC ZINC001085337539 782019594 /nfs/dbraw/zinc/01/95/94/782019594.db2.gz GEZAKKPVQNBQNE-AAVRWANBSA-N 0 3 284.831 2.802 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284429009 196052881 /nfs/dbraw/zinc/05/28/81/196052881.db2.gz RFMJDVHEMHGWOG-JTQLQIEISA-N 0 3 284.812 2.761 20 30 CFEDHN CN(C)[C@@H](CNCc1cccc(C#N)c1)c1ccco1 ZINC000020122152 171001828 /nfs/dbraw/zinc/00/18/28/171001828.db2.gz ZLJREOJVZMVLSW-HNNXBMFYSA-N 0 3 269.348 2.544 20 30 CFEDHN COc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000284730762 196119962 /nfs/dbraw/zinc/11/99/62/196119962.db2.gz KHVMFMHDVWAXTO-RDJZCZTQSA-N 0 3 286.375 2.710 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@H]1CCCN(C(C)C)C1=O ZINC000284969835 196167341 /nfs/dbraw/zinc/16/73/41/196167341.db2.gz CZUPMHYZLHKZOY-MSOLQXFVSA-N 0 3 298.430 2.610 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@@H]1CCCN(C(C)C)C1=O ZINC000284972483 196167613 /nfs/dbraw/zinc/16/76/13/196167613.db2.gz CZUPMHYZLHKZOY-QZTJIDSGSA-N 0 3 298.430 2.610 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](C)c2ccc(F)cc2)nn1 ZINC000657348128 413480031 /nfs/dbraw/zinc/48/00/31/413480031.db2.gz LISMMAOUHPEWKT-CYBMUJFWSA-N 0 3 288.370 2.887 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2c1cc(F)cc2F ZINC000651469649 413487715 /nfs/dbraw/zinc/48/77/15/413487715.db2.gz UJVZHSMZRJTUIQ-XHDPSFHLSA-N 0 3 267.319 2.869 20 30 CFEDHN C=CCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000660670100 413488249 /nfs/dbraw/zinc/48/82/49/413488249.db2.gz UAMVVXCIAMKCNI-INIZCTEOSA-N 0 3 287.407 2.526 20 30 CFEDHN C=CCCn1cc(CNC2CCC(C)(C)CC2)nn1 ZINC000657374204 413516599 /nfs/dbraw/zinc/51/65/99/413516599.db2.gz HASADWJSNNUJAE-UHFFFAOYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=C(C)COCCNCc1cncc(Br)c1C ZINC000657398333 413552493 /nfs/dbraw/zinc/55/24/93/413552493.db2.gz JPUIQHLQYGOOSP-UHFFFAOYSA-N 0 3 299.212 2.835 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NCCCC ZINC000285073593 196191729 /nfs/dbraw/zinc/19/17/29/196191729.db2.gz KFROSXYMRDTYDK-RDJZCZTQSA-N 0 3 286.419 2.515 20 30 CFEDHN C=CCOCCN1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903972 413583696 /nfs/dbraw/zinc/58/36/96/413583696.db2.gz MJGCVPJNJAAZIS-AWEZNQCLSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CCCOCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657418510 413576815 /nfs/dbraw/zinc/57/68/15/413576815.db2.gz IDHUKEFOVFUGAF-KRWDZBQOSA-N 0 3 291.391 2.537 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@@H](C)COC)cc1 ZINC000657482308 413667849 /nfs/dbraw/zinc/66/78/49/413667849.db2.gz UBDNLUHKXLFESF-XKQJLSEDSA-N 0 3 291.391 2.533 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2cccc(N(C)C)n2)C1 ZINC000651742301 413605915 /nfs/dbraw/zinc/60/59/15/413605915.db2.gz KITDECIOCZKNMK-KGLIPLIRSA-N 0 3 259.397 2.982 20 30 CFEDHN C=CCC[C@@H](O)CN1CCOc2ccc(C)cc2C1 ZINC000285437976 196284709 /nfs/dbraw/zinc/28/47/09/196284709.db2.gz FOWBLOMUQLQOCC-OAHLLOKOSA-N 0 3 261.365 2.517 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1nc(C)c[nH]1 ZINC000657497353 413690830 /nfs/dbraw/zinc/69/08/30/413690830.db2.gz WFVPOGUIEPVUKG-HNNXBMFYSA-N 0 3 255.365 2.995 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccnc(OC)n1 ZINC000657530218 413713343 /nfs/dbraw/zinc/71/33/43/413713343.db2.gz NRPMSXYWCJDHBH-GXTWGEPZSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1cc(=O)n2ccccc2n1 ZINC000652042750 413791170 /nfs/dbraw/zinc/79/11/70/413791170.db2.gz VDVQZUGNZGNADR-CQSZACIVSA-N 0 3 285.391 2.919 20 30 CFEDHN C=CCOc1ccc(CNCCO[C@H]2CC2(F)F)cc1 ZINC000657618152 413796638 /nfs/dbraw/zinc/79/66/38/413796638.db2.gz QMYLZKTYXFPXFN-AWEZNQCLSA-N 0 3 283.318 2.765 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654317741 413809019 /nfs/dbraw/zinc/80/90/19/413809019.db2.gz INULOMNAMBFEKA-RRFJBIMHSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC1(NCc2nn(C)c3ccccc23)CCOCC1 ZINC000657632941 413809541 /nfs/dbraw/zinc/80/95/41/413809541.db2.gz DFXNMSBKXHXOAX-UHFFFAOYSA-N 0 3 285.391 2.788 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000664409393 413750629 /nfs/dbraw/zinc/75/06/29/413750629.db2.gz VLIFVTQMYVBTSU-GXTWGEPZSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(CC2CC2)nn1 ZINC000661116302 413766261 /nfs/dbraw/zinc/76/62/61/413766261.db2.gz XTCYJDSVECWUBP-HOCLYGCPSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)CCF)cc1Cl ZINC000652016606 413768978 /nfs/dbraw/zinc/76/89/78/413768978.db2.gz CBOZOINLMKFURE-GFCCVEGCSA-N 0 3 287.762 2.715 20 30 CFEDHN C=CCCNCc1c(C)nn(-c2ccccn2)c1C ZINC000657584100 413771088 /nfs/dbraw/zinc/77/10/88/413771088.db2.gz XLWVNOCBLPMDNR-UHFFFAOYSA-N 0 3 256.353 2.550 20 30 CFEDHN COCC#CCN(Cc1ccsc1)C(C)(C)C ZINC000661137084 413777067 /nfs/dbraw/zinc/77/70/67/413777067.db2.gz YWWNXBVPMGGBEM-UHFFFAOYSA-N 0 3 251.395 2.998 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)C2(CO)CC2)cc1OC ZINC000657602598 413783550 /nfs/dbraw/zinc/78/35/50/413783550.db2.gz KLCOBHVDBDTYBU-CYBMUJFWSA-N 0 3 291.391 2.511 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000657703061 413868386 /nfs/dbraw/zinc/86/83/86/413868386.db2.gz LDDZPYPOUAWRPP-HZPDHXFCSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOCCCNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000657657989 413823878 /nfs/dbraw/zinc/82/38/78/413823878.db2.gz HFMUTSRFZCQONF-CYBMUJFWSA-N 0 3 291.391 2.701 20 30 CFEDHN C=CCOCCCNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000657657990 413826244 /nfs/dbraw/zinc/82/62/44/413826244.db2.gz HFMUTSRFZCQONF-ZDUSSCGKSA-N 0 3 291.391 2.701 20 30 CFEDHN C=CCN(CCc1noc2ccccc21)[C@H](C)COC ZINC000661238418 413838064 /nfs/dbraw/zinc/83/80/64/413838064.db2.gz CFPNNTXXUCJADD-CYBMUJFWSA-N 0 3 274.364 2.893 20 30 CFEDHN C=CCN(C[C@H](OC)C1CCCC1)[C@H](C)COC ZINC000661239162 413841661 /nfs/dbraw/zinc/84/16/61/413841661.db2.gz KAQJNEXMOQHCIQ-HIFRSBDPSA-N 0 3 255.402 2.715 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1C)[C@@H](C)COC ZINC000661242797 413846291 /nfs/dbraw/zinc/84/62/91/413846291.db2.gz UGILLQAKAGITTC-HNNXBMFYSA-N 0 3 290.407 2.847 20 30 CFEDHN C=CCN(Cc1cccc(COC)c1)[C@@H](C)COC ZINC000661242473 413846876 /nfs/dbraw/zinc/84/68/76/413846876.db2.gz PLVSDNDWDAKACV-AWEZNQCLSA-N 0 3 263.381 2.856 20 30 CFEDHN C=CCN(Cc1cccc(NC(C)=O)c1)[C@H](C)COC ZINC000661245296 413848138 /nfs/dbraw/zinc/84/81/38/413848138.db2.gz ZQOSVYTYJAGDPY-CYBMUJFWSA-N 0 3 276.380 2.668 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N(CC)CC(=C)C)C1 ZINC000661376425 413933171 /nfs/dbraw/zinc/93/31/71/413933171.db2.gz BXIUUZARCCURRZ-HNNXBMFYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N(CC)CC)C1 ZINC000661378406 413935644 /nfs/dbraw/zinc/93/56/44/413935644.db2.gz FWVXUXHGMDQKBD-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000661379355 413935721 /nfs/dbraw/zinc/93/57/21/413935721.db2.gz XHARMGVOSFEUSV-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC2CCCC2)C1 ZINC000661378909 413936748 /nfs/dbraw/zinc/93/67/48/413936748.db2.gz OEJKEDWSLAVTQD-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccc(N(C)C)nc2)C1 ZINC000661384685 413941781 /nfs/dbraw/zinc/94/17/81/413941781.db2.gz KGYWAHYHMDTJGY-CQSZACIVSA-N 0 3 259.397 2.936 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnc(OC)nc2C)C1 ZINC000661387367 413944822 /nfs/dbraw/zinc/94/48/22/413944822.db2.gz YFTBJTPFLXQVAX-CYBMUJFWSA-N 0 3 261.369 2.582 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654734363 413984808 /nfs/dbraw/zinc/98/48/08/413984808.db2.gz JEOGJQOHABLJSE-OWCLPIDISA-N 0 3 291.439 2.753 20 30 CFEDHN C=CC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654728898 413984908 /nfs/dbraw/zinc/98/49/08/413984908.db2.gz MXKSHHLJWKKCNE-JKSUJKDBSA-N 0 3 291.439 2.611 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654734364 413985594 /nfs/dbraw/zinc/98/55/94/413985594.db2.gz JEOGJQOHABLJSE-PMPSAXMXSA-N 0 3 291.439 2.753 20 30 CFEDHN C=CCC[C@H](NCCCOCCOC)c1ccco1 ZINC000285647295 196354689 /nfs/dbraw/zinc/35/46/89/196354689.db2.gz MBADAOXEBJQXSL-AWEZNQCLSA-N 0 3 267.369 2.930 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(C(F)F)nc1 ZINC000657974845 414083156 /nfs/dbraw/zinc/08/31/56/414083156.db2.gz SNBFGVQAMPFGOE-MWLCHTKSSA-N 0 3 256.296 2.607 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCCC(CC)(CC)C1 ZINC000661673565 414126695 /nfs/dbraw/zinc/12/66/95/414126695.db2.gz FEUXECXMAFUSRE-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CCF)C1 ZINC000661694821 414139845 /nfs/dbraw/zinc/13/98/45/414139845.db2.gz BMPRBWBUAYPXGZ-LSDHHAIUSA-N 0 3 284.419 2.871 20 30 CFEDHN C[C@]12COC[C@H]1CN(CC#Cc1cccc(Cl)c1)C2 ZINC000661698467 414148154 /nfs/dbraw/zinc/14/81/54/414148154.db2.gz GWCGKYFRVSEZCG-ZBFHGGJFSA-N 0 3 275.779 2.660 20 30 CFEDHN O[C@@]1(C2CC2)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000661631291 414097424 /nfs/dbraw/zinc/09/74/24/414097424.db2.gz ZHGLRPGFWFZLBX-KRWDZBQOSA-N 0 3 289.806 2.928 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)CCN1CCCCC1 ZINC000652991496 414163918 /nfs/dbraw/zinc/16/39/18/414163918.db2.gz DWPRWRTTWVCAGQ-OAHLLOKOSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCN(CC(=O)N1CCC[C@@H](C)C1)C(C)(C)C ZINC000661754776 414193107 /nfs/dbraw/zinc/19/31/07/414193107.db2.gz AIESIHZQIPNUDP-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN(CC(=O)N[C@H]1CCCC[C@H]1C)C(C)(C)C ZINC000661754932 414193647 /nfs/dbraw/zinc/19/36/47/414193647.db2.gz HPKKJQRSUIAEGQ-KGLIPLIRSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[N@H+](Cc1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000661758824 414197291 /nfs/dbraw/zinc/19/72/91/414197291.db2.gz WIDIREODNRPJRY-UHFFFAOYSA-N 0 3 261.369 2.846 20 30 CFEDHN C=CC[N@@H+](Cc1cc(=O)[n-]c(C2CC2)n1)C(C)(C)C ZINC000661758824 414197301 /nfs/dbraw/zinc/19/73/01/414197301.db2.gz WIDIREODNRPJRY-UHFFFAOYSA-N 0 3 261.369 2.846 20 30 CFEDHN C=CCC1(NCCS(=O)(=O)c2ccccc2)CCCC1 ZINC000661850976 414258277 /nfs/dbraw/zinc/25/82/77/414258277.db2.gz MDCNXLMDKVNDKZ-UHFFFAOYSA-N 0 3 293.432 2.939 20 30 CFEDHN C=CCC1(NCc2nc(C3CC3)nn2C)CCCC1 ZINC000661849956 414259770 /nfs/dbraw/zinc/25/97/70/414259770.db2.gz DNCWGHCRLJOJIN-UHFFFAOYSA-N 0 3 260.385 2.671 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)NC1(CC(C)C)CC1 ZINC000662071944 414396106 /nfs/dbraw/zinc/39/61/06/414396106.db2.gz YKIQRYANTHWBCF-CQSZACIVSA-N 0 3 264.413 2.744 20 30 CFEDHN C=CCCC1(CNC(=O)N(C)CCN(C)C)CCCC1 ZINC000665588750 414382889 /nfs/dbraw/zinc/38/28/89/414382889.db2.gz CCJOSWAUYKWDAP-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000665390338 414320780 /nfs/dbraw/zinc/32/07/80/414320780.db2.gz BHVHRGIRDXEWQI-CVEARBPZSA-N 0 3 291.439 2.682 20 30 CFEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@]1(C)CO ZINC000662138058 414428470 /nfs/dbraw/zinc/42/84/70/414428470.db2.gz BRBIICITLRTIPW-XJKSGUPXSA-N 0 3 277.795 2.642 20 30 CFEDHN N#CC(C(=O)c1cnc2n1CCC2)c1nc(C2CC2)cs1 ZINC000659115930 414441376 /nfs/dbraw/zinc/44/13/76/414441376.db2.gz KIKVYSCWWUTDHA-JTQLQIEISA-N 0 3 298.371 2.653 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCCc1ccccc1 ZINC000662080762 414399356 /nfs/dbraw/zinc/39/93/56/414399356.db2.gz MKTHQQHAPOCZBH-HDICACEKSA-N 0 3 298.430 2.918 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCc1ccccc1 ZINC000662082707 414400454 /nfs/dbraw/zinc/40/04/54/414400454.db2.gz XGMOTJABOQVHST-NXHRZFHOSA-N 0 3 298.430 2.917 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccccc1 ZINC000662082210 414401445 /nfs/dbraw/zinc/40/14/45/414401445.db2.gz ZGZLFCNQZLPBJP-OIISXLGYSA-N 0 3 284.403 2.874 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H]2NCC2(C)C)CCCC1 ZINC000659334493 414502664 /nfs/dbraw/zinc/50/26/64/414502664.db2.gz LMFDLRBTTAAKPN-CYBMUJFWSA-N 0 3 264.413 2.627 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000659521478 414529630 /nfs/dbraw/zinc/52/96/30/414529630.db2.gz YPWQGPLJKFJWPN-GOEBONIOSA-N 0 3 287.407 2.684 20 30 CFEDHN C=CCOCCNCc1c(C)nc2scc(C3CC3)n12 ZINC000656535202 414599769 /nfs/dbraw/zinc/59/97/69/414599769.db2.gz YERAHUXAHDGJIE-UHFFFAOYSA-N 0 3 291.420 2.874 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCNC2(CCCCC2)C1 ZINC000656364310 414565807 /nfs/dbraw/zinc/56/58/07/414565807.db2.gz HSRMYAZTGQMACC-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000662630400 414582294 /nfs/dbraw/zinc/58/22/94/414582294.db2.gz IXIUOBOLYWVNHA-BBRMVZONSA-N 0 3 290.382 2.683 20 30 CFEDHN C=CCC1(NC(=O)c2cccc3c2CNC3)CCCC1 ZINC000662889249 414628883 /nfs/dbraw/zinc/62/88/83/414628883.db2.gz UVDPCJNITLIBEN-UHFFFAOYSA-N 0 3 270.376 2.909 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccccn1)C(C)C ZINC000046049387 175390763 /nfs/dbraw/zinc/39/07/63/175390763.db2.gz RAAFIUUPMJNDFR-INIZCTEOSA-N 0 3 287.407 2.510 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000076801582 177099176 /nfs/dbraw/zinc/09/91/76/177099176.db2.gz IWEYUPPMHPSSRO-UHFFFAOYSA-N 0 3 278.371 2.648 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2c(F)cccc2F)CC1 ZINC000334602237 225079660 /nfs/dbraw/zinc/07/96/60/225079660.db2.gz RRKVVWUHSWZKGE-JTQLQIEISA-N 0 3 278.302 2.830 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000344812941 225183831 /nfs/dbraw/zinc/18/38/31/225183831.db2.gz NYCWNMNHKHYYJP-GFCCVEGCSA-N 0 3 265.316 2.524 20 30 CFEDHN N#CCCCN1CCC2(CC1)OCCc1ccccc12 ZINC000334648591 225252392 /nfs/dbraw/zinc/25/23/92/225252392.db2.gz UZLLXVXFZXWKBE-UHFFFAOYSA-N 0 3 270.376 2.854 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000335083492 225485236 /nfs/dbraw/zinc/48/52/36/225485236.db2.gz AUOWGHLOCUBCGS-ZYHUDNBSSA-N 0 3 262.740 2.816 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000347131283 226038345 /nfs/dbraw/zinc/03/83/45/226038345.db2.gz IWRSUOPPELVTHQ-LBPRGKRZSA-N 0 3 281.315 2.650 20 30 CFEDHN CC(C#N)C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000347103229 226050048 /nfs/dbraw/zinc/05/00/48/226050048.db2.gz ITXIFUIEQZTHMO-CZUORRHYSA-N 0 3 286.375 2.747 20 30 CFEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1ccncn1 ZINC000354468333 227003173 /nfs/dbraw/zinc/00/31/73/227003173.db2.gz LVPLJRVNAKCTPY-NSHDSACASA-N 0 3 289.241 2.568 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)NC1CCC(C)CC1 ZINC000330304881 228121867 /nfs/dbraw/zinc/12/18/67/228121867.db2.gz KQKQDCHKPYVMOZ-ALMXHQDSSA-N 0 3 268.401 2.677 20 30 CFEDHN C[C@@H]1CCN(C)CCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356090080 228117075 /nfs/dbraw/zinc/11/70/75/228117075.db2.gz GXIMCXTUQJLKLG-NVXWUHKLSA-N 0 3 299.418 2.627 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000330212788 228067489 /nfs/dbraw/zinc/06/74/89/228067489.db2.gz DWRYSOVCZXNCGH-HOCLYGCPSA-N 0 3 292.354 2.879 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000330237727 228075789 /nfs/dbraw/zinc/07/57/89/228075789.db2.gz UWICAWSMHYBSHE-IUIKQTSFSA-N 0 3 299.374 2.692 20 30 CFEDHN Cn1cc(CNC(=O)[C@H]2CCCCN2C2CCCC2)cn1 ZINC000330311622 228135343 /nfs/dbraw/zinc/13/53/43/228135343.db2.gz VWAJYQDZQRFOFF-OAHLLOKOSA-N 0 3 290.411 2.674 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000336058707 228183099 /nfs/dbraw/zinc/18/30/99/228183099.db2.gz UVCVGNCSEVINRQ-NSHDSACASA-N 0 3 292.329 2.906 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000333056792 228188999 /nfs/dbraw/zinc/18/89/99/228188999.db2.gz HPMIHDPUGVTUIT-OFQRWUPVSA-N 0 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ZINC000365268219 262356924 /nfs/dbraw/zinc/35/69/24/262356924.db2.gz SHKCGSVRKMCXMY-UHFFFAOYSA-N 0 3 296.414 2.975 20 30 CFEDHN C[C@@H]1OCC[C@]12CN(CCCCC(C)(C)C#N)CCO2 ZINC000373406150 262367167 /nfs/dbraw/zinc/36/71/67/262367167.db2.gz QGZQJNOIFYHJNP-HOCLYGCPSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2ccccn2)c1 ZINC000187242305 262395205 /nfs/dbraw/zinc/39/52/05/262395205.db2.gz NWPBWTRRPFQWCW-HNNXBMFYSA-N 0 3 293.326 2.839 20 30 CFEDHN N#CCSCCCN1CCC(Oc2ccccn2)CC1 ZINC000336822920 262397664 /nfs/dbraw/zinc/39/76/64/262397664.db2.gz NMCQPGYPPZNIJU-UHFFFAOYSA-N 0 3 291.420 2.572 20 30 CFEDHN C=CCN1CC[C@@H](N[C@]2(C)CCCc3ccccc32)C1=O ZINC000337153257 262424712 /nfs/dbraw/zinc/42/47/12/262424712.db2.gz LSZDIXPKBNRTMO-SJLPKXTDSA-N 0 3 284.403 2.615 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2sc(C)nc2C)CC1 ZINC000106037331 262565066 /nfs/dbraw/zinc/56/50/66/262565066.db2.gz HACOBSYFNVLMEL-UHFFFAOYSA-N 0 3 293.436 2.530 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1cc(C#N)cc(C)n1)C(C)C 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/nfs/dbraw/zinc/02/21/21/263022121.db2.gz OMTWMEMLQFHQJJ-IRXDYDNUSA-N 0 3 299.418 2.695 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)NCCCCC#N ZINC000275557669 263033579 /nfs/dbraw/zinc/03/35/79/263033579.db2.gz AVNPNZZCPJCPPW-UHFFFAOYSA-N 0 3 288.395 2.606 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(CCc2ccccc2)CC1 ZINC000276276667 263035499 /nfs/dbraw/zinc/03/54/99/263035499.db2.gz FBCODEXWXQDCLM-INIZCTEOSA-N 0 3 271.408 2.539 20 30 CFEDHN OCCC[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000452132816 263039250 /nfs/dbraw/zinc/03/92/50/263039250.db2.gz RFDBYRCJQBGBEQ-OAHLLOKOSA-N 0 3 277.795 2.786 20 30 CFEDHN Cc1noc(C[C@@H](NCCCC#N)c2ccccc2)n1 ZINC000277371133 263040944 /nfs/dbraw/zinc/04/09/44/263040944.db2.gz XPKRUMINASEQSB-CQSZACIVSA-N 0 3 270.336 2.555 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC(C2CC2)C2CC2)cc1 ZINC000279821024 263057432 /nfs/dbraw/zinc/05/74/32/263057432.db2.gz YFFNSUNUZFBVDE-MRXNPFEDSA-N 0 3 293.370 2.545 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC(C2CC2)C2CC2)cc1 ZINC000279821021 263057600 /nfs/dbraw/zinc/05/76/00/263057600.db2.gz YFFNSUNUZFBVDE-INIZCTEOSA-N 0 3 293.370 2.545 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228266 263059765 /nfs/dbraw/zinc/05/97/65/263059765.db2.gz AXMNSXISAFNFOR-CKEIUWERSA-N 0 3 295.386 2.888 20 30 CFEDHN CN(CCC#N)C(=O)CCN1CCC=C(c2ccccc2)C1 ZINC000283973074 263085285 /nfs/dbraw/zinc/08/52/85/263085285.db2.gz CLAYLGIHJUYOSZ-UHFFFAOYSA-N 0 3 297.402 2.538 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(OCC#N)cc2)C1 ZINC000286985926 263100280 /nfs/dbraw/zinc/10/02/80/263100280.db2.gz PBHRUJBAFOVFFK-UHFFFAOYSA-N 0 3 274.364 2.588 20 30 CFEDHN CCc1ccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000287305747 263101609 /nfs/dbraw/zinc/10/16/09/263101609.db2.gz DTZPBGTYNSWONE-BHYGNILZSA-N 0 3 272.392 2.954 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1C#N ZINC000288496918 263104744 /nfs/dbraw/zinc/10/47/44/263104744.db2.gz HQQOCQRUUFCFHP-SCLBCKFNSA-N 0 3 296.370 2.779 20 30 CFEDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1[O-] ZINC000289373589 263109713 /nfs/dbraw/zinc/10/97/13/263109713.db2.gz BMNRRPFRHRZDBI-YPMHNXCESA-N 0 3 260.337 2.573 20 30 CFEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCCC#N ZINC000291094041 263120047 /nfs/dbraw/zinc/12/00/47/263120047.db2.gz IELFBNFROLRTSD-DOTOQJQBSA-N 0 3 297.402 2.823 20 30 CFEDHN CC(C)N(Cc1ccc(OCC#N)cc1)[C@@H]1CCOC1 ZINC000291883180 263126366 /nfs/dbraw/zinc/12/63/66/263126366.db2.gz QHGDVNDRLMLVLV-OAHLLOKOSA-N 0 3 274.364 2.588 20 30 CFEDHN CN(C(=O)CCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000292114797 263128641 /nfs/dbraw/zinc/12/86/41/263128641.db2.gz TYCDTEHQLHXLRP-UHFFFAOYSA-N 0 3 299.418 2.803 20 30 CFEDHN N#CCCOCCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000292689231 263133860 /nfs/dbraw/zinc/13/38/60/263133860.db2.gz CJWRUFUJGUYCNO-KGLIPLIRSA-N 0 3 294.420 2.566 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3nnc4ccccn43)C2)C1 ZINC000292998384 263137094 /nfs/dbraw/zinc/13/70/94/263137094.db2.gz GOIJBVJDRKFLPQ-ILXRZTDVSA-N 0 3 295.390 2.601 20 30 CFEDHN N#CCCOCCN1CC[C@H](c2ccccc2F)C1 ZINC000293101101 263137889 /nfs/dbraw/zinc/13/78/89/263137889.db2.gz NVGVNTZUSSZFBI-ZDUSSCGKSA-N 0 3 262.328 2.545 20 30 CFEDHN Cc1ccc(OC2CCN(CCOCCC#N)CC2)cc1 ZINC000293137438 263138107 /nfs/dbraw/zinc/13/81/07/263138107.db2.gz QDMPIRMDDMDAII-UHFFFAOYSA-N 0 3 288.391 2.769 20 30 CFEDHN N#CCCOCCN(CCc1ccc(F)cc1)C1CC1 ZINC000293186231 263138572 /nfs/dbraw/zinc/13/85/72/263138572.db2.gz SUZQNBGHZNHAPP-UHFFFAOYSA-N 0 3 276.355 2.763 20 30 CFEDHN CN(CCOCCC#N)CCOc1cccc(Cl)c1 ZINC000293660091 263146569 /nfs/dbraw/zinc/14/65/69/263146569.db2.gz YPAFZWBXQSMEHM-UHFFFAOYSA-N 0 3 282.771 2.581 20 30 CFEDHN C=C(CNCc1ccc(C(=O)NC)cc1)c1ccccc1 ZINC000340436887 263147260 /nfs/dbraw/zinc/14/72/60/263147260.db2.gz HJGCLLGNOGOPPU-UHFFFAOYSA-N 0 3 280.371 2.849 20 30 CFEDHN CC[C@H](NCCOCCC#N)c1ccc(OC)cc1 ZINC000293797906 263149442 /nfs/dbraw/zinc/14/94/42/263149442.db2.gz NCNWSGWCASKOMW-HNNXBMFYSA-N 0 3 262.353 2.666 20 30 CFEDHN C[C@H](NCCOCCC#N)c1ccc(OC(F)F)cc1 ZINC000293894381 263151732 /nfs/dbraw/zinc/15/17/32/263151732.db2.gz VMDCVBNBVHMCEU-NSHDSACASA-N 0 3 284.306 2.869 20 30 CFEDHN CC(C)(NCCOCCC#N)c1ccc(F)c(F)c1 ZINC000294539468 263163448 /nfs/dbraw/zinc/16/34/48/263163448.db2.gz KFGAAYDQGQXIAV-UHFFFAOYSA-N 0 3 268.307 2.720 20 30 CFEDHN Cc1cccc([C@@H]2CCN(CCOCCC#N)C2)c1 ZINC000294724367 263166712 /nfs/dbraw/zinc/16/67/12/263166712.db2.gz VULSKJMMRVFWQU-MRXNPFEDSA-N 0 3 258.365 2.715 20 30 CFEDHN CN(CCN(CC#N)C1CCCC1)Cc1ccccc1 ZINC000295030575 263171208 /nfs/dbraw/zinc/17/12/08/263171208.db2.gz MYMODQNNBVDRMX-UHFFFAOYSA-N 0 3 271.408 2.887 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000295102652 263172369 /nfs/dbraw/zinc/17/23/69/263172369.db2.gz TUODOCDKWCWIEG-FZMZJTMJSA-N 0 3 257.312 2.869 20 30 CFEDHN CC(C)(C#N)CCN1CCC(c2ccncn2)CC1 ZINC000298041722 263214134 /nfs/dbraw/zinc/21/41/34/263214134.db2.gz DGWOUZLOLZDEGJ-UHFFFAOYSA-N 0 3 258.369 2.596 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000340662472 263256418 /nfs/dbraw/zinc/25/64/18/263256418.db2.gz PXDWATYNJJXWJM-OLZOCXBDSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000121186165 263291029 /nfs/dbraw/zinc/29/10/29/263291029.db2.gz XXIUQRIQPUYXKI-LLVKDONJSA-N 0 3 290.190 2.851 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CCCCC1 ZINC000341059020 263319977 /nfs/dbraw/zinc/31/99/77/263319977.db2.gz LWROFGQRVWSHSA-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CC[C@@H](CC)NCc1cc2c(cc1OC)OCO2 ZINC000341476001 263341254 /nfs/dbraw/zinc/34/12/54/263341254.db2.gz YYBCNAKQAIQZIV-GFCCVEGCSA-N 0 3 263.337 2.868 20 30 CFEDHN CC(C)(C)C[C@@H](NCC(=O)NCC#N)c1ccc(F)cc1 ZINC000341474422 263341362 /nfs/dbraw/zinc/34/13/62/263341362.db2.gz YXHFEVTZZSHLBU-CQSZACIVSA-N 0 3 291.370 2.532 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000341871697 263360661 /nfs/dbraw/zinc/36/06/61/263360661.db2.gz CHOCOVOCXKAAOV-NEPJUHHUSA-N 0 3 280.437 2.857 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(F)cc1F ZINC000341886205 263363120 /nfs/dbraw/zinc/36/31/20/263363120.db2.gz XHAQKLNHAYKLPS-WDEREUQCSA-N 0 3 255.308 2.800 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000341884024 263363209 /nfs/dbraw/zinc/36/32/09/263363209.db2.gz JVDLFHCENIEAMS-DOTOQJQBSA-N 0 3 299.418 2.767 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccccc1)CC1(CO)CC1 ZINC000341970612 263372462 /nfs/dbraw/zinc/37/24/62/263372462.db2.gz OSMDSILJZCYWHW-QGZVFWFLSA-N 0 3 289.419 2.588 20 30 CFEDHN C=C(C)[C@H](CC(=O)N(CCC)CCN1CCCC1)OCC ZINC000342178430 263393670 /nfs/dbraw/zinc/39/36/70/263393670.db2.gz JEPFVARCOONCFK-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN CCc1ccc([C@@H](C#N)NC(=O)C23CCCN2CCC3)cc1 ZINC000415699530 263644629 /nfs/dbraw/zinc/64/46/29/263644629.db2.gz JGNYAAJNILIKKB-MRXNPFEDSA-N 0 3 297.402 2.558 20 30 CFEDHN C#Cc1ccc(NC(=O)NC[C@@H]2CCN2C(C)(C)C)cc1 ZINC000934923727 649855373 /nfs/dbraw/zinc/85/53/73/649855373.db2.gz YDYHBLPIZYQPOL-HNNXBMFYSA-N 0 3 285.391 2.662 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000330622915 263997730 /nfs/dbraw/zinc/99/77/30/263997730.db2.gz OTJOAXXAPBQNQC-CZUORRHYSA-N 0 3 279.428 2.551 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC000330671919 264013664 /nfs/dbraw/zinc/01/36/64/264013664.db2.gz NMAZJPAQUUSJQT-AWEZNQCLSA-N 0 3 292.427 2.951 20 30 CFEDHN CCCc1nc(C(=O)NCCN2CCC[C@H](C)C2)co1 ZINC000330824369 264048141 /nfs/dbraw/zinc/04/81/41/264048141.db2.gz QMGNNJKNNIVENJ-LBPRGKRZSA-N 0 3 279.384 2.664 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2sc(C)nc2C)CC1 ZINC000330941068 264083631 /nfs/dbraw/zinc/08/36/31/264083631.db2.gz YDMKWANKORRFJU-UHFFFAOYSA-N 0 3 294.424 2.736 20 30 CFEDHN CCC[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330968231 264091098 /nfs/dbraw/zinc/09/10/98/264091098.db2.gz DTLPZJUJPCQKAV-INMHGKMJSA-N 0 3 293.455 2.941 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCCN(CC)C2)c1C ZINC000331068998 264112724 /nfs/dbraw/zinc/11/27/24/264112724.db2.gz BCMGYRNEDPDUGS-GXTWGEPZSA-N 0 3 292.427 2.951 20 30 CFEDHN CC[C@H](C)n1ncc(NC(=O)NC2CCN(C)CC2)c1C ZINC000331152298 264139502 /nfs/dbraw/zinc/13/95/02/264139502.db2.gz URNCLRMHVUGKEV-NSHDSACASA-N 0 3 293.415 2.583 20 30 CFEDHN CC[C@@H](CC#N)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000331210158 264162820 /nfs/dbraw/zinc/16/28/20/264162820.db2.gz XHZXVAXXQRGKPX-ZFWWWQNUSA-N 0 3 277.412 2.592 20 30 CFEDHN CC[C@@H](CC#N)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000331210155 264162872 /nfs/dbraw/zinc/16/28/72/264162872.db2.gz XHZXVAXXQRGKPX-DZGCQCFKSA-N 0 3 277.412 2.592 20 30 CFEDHN CCc1nc(NC(=O)NC2CCN(CC)CC2)sc1C ZINC000331248437 264180215 /nfs/dbraw/zinc/18/02/15/264180215.db2.gz NJMQHZJXZGWPRS-UHFFFAOYSA-N 0 3 296.440 2.824 20 30 CFEDHN C[C@@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000331313233 264187190 /nfs/dbraw/zinc/18/71/90/264187190.db2.gz CGCGZMMHMJQYLC-ZDUSSCGKSA-N 0 3 271.364 2.889 20 30 CFEDHN CCN1CCC(NC(=O)Nc2c(C)cccc2OC)CC1 ZINC000331326148 264190396 /nfs/dbraw/zinc/19/03/96/264190396.db2.gz OQSXJKXNDKJNRJ-UHFFFAOYSA-N 0 3 291.395 2.814 20 30 CFEDHN C=CCOc1cccc(CN2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000126618653 264215196 /nfs/dbraw/zinc/21/51/96/264215196.db2.gz RYSYADGXCPXJRX-XYPWUTKMSA-N 0 3 273.376 2.739 20 30 CFEDHN C[C@@H]1[C@@H](CO)CCN1Cc1cccc(OCCCC#N)c1 ZINC000425998306 264304133 /nfs/dbraw/zinc/30/41/33/264304133.db2.gz HUHBZZKLYKKFQF-GDBMZVCRSA-N 0 3 288.391 2.572 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000345754185 265096962 /nfs/dbraw/zinc/09/69/62/265096962.db2.gz CVDOWNLGQBRTKO-WCQYABFASA-N 0 3 282.347 2.804 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@H]2COCC[C@H]21 ZINC000335744032 265197123 /nfs/dbraw/zinc/19/71/23/265197123.db2.gz CVMWITFKISAHIL-DLBZAZTESA-N 0 3 255.361 2.539 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@H]2COCC[C@H]21 ZINC000335744033 265197334 /nfs/dbraw/zinc/19/73/34/265197334.db2.gz CVMWITFKISAHIL-IAGOWNOFSA-N 0 3 255.361 2.539 20 30 CFEDHN CC(C)=CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280034654 265775879 /nfs/dbraw/zinc/77/58/79/265775879.db2.gz NLVBCADYDUVKMT-INIZCTEOSA-N 0 3 281.359 2.713 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000320923548 266014042 /nfs/dbraw/zinc/01/40/42/266014042.db2.gz DANLSAQIHYIDHJ-NSHDSACASA-N 0 3 268.426 2.857 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000346230417 266157689 /nfs/dbraw/zinc/15/76/89/266157689.db2.gz FUOIFFLNCYUCAJ-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)CCCN1C ZINC000356737083 266167560 /nfs/dbraw/zinc/16/75/60/266167560.db2.gz LJHIWOFQWZWXGA-PVAVHDDUSA-N 0 3 299.418 2.673 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000357009399 266231600 /nfs/dbraw/zinc/23/16/00/266231600.db2.gz VQQZROLQVXHNGW-LBPRGKRZSA-N 0 3 272.348 2.784 20 30 CFEDHN Cc1ccnc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000357422654 266293924 /nfs/dbraw/zinc/29/39/24/266293924.db2.gz GXRHSRBHGRDVCT-MRXNPFEDSA-N 0 3 293.370 2.779 20 30 CFEDHN C=CCN(CCC(=O)NCc1ccccc1Cl)C1CC1 ZINC000357533779 266317684 /nfs/dbraw/zinc/31/76/84/266317684.db2.gz XYFNSFRDRMUQRG-UHFFFAOYSA-N 0 3 292.810 2.997 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@@H](C)CC[C@@H]1CC ZINC000357557155 266323813 /nfs/dbraw/zinc/32/38/13/266323813.db2.gz YPGFYEWNPFIARX-KBPBESRZSA-N 0 3 252.402 2.674 20 30 CFEDHN Cn1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000357793455 266362804 /nfs/dbraw/zinc/36/28/04/266362804.db2.gz HQDMRYMTGVQOBW-LLVKDONJSA-N 0 3 293.248 2.929 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000357810809 266369090 /nfs/dbraw/zinc/36/90/90/266369090.db2.gz CJSTXYHYCCEFRS-LBPRGKRZSA-N 0 3 274.339 2.913 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000357815919 266370750 /nfs/dbraw/zinc/37/07/50/266370750.db2.gz FRPNJGVUCJVXMF-GOSISDBHSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCCCN(C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359601986 266604785 /nfs/dbraw/zinc/60/47/85/266604785.db2.gz PIVXKWDQLCUPPD-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(CC)CN1CCC(c2nnc3n2CCCC3)CC1 ZINC000360797673 266744118 /nfs/dbraw/zinc/74/41/18/266744118.db2.gz PKJBQBYQEHCFFL-UHFFFAOYSA-N 0 3 274.412 2.760 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000361235320 266807042 /nfs/dbraw/zinc/80/70/42/266807042.db2.gz AALHZUGBSVUVMM-MRXNPFEDSA-N 0 3 283.375 2.895 20 30 CFEDHN Cc1nc2ccc(C(=O)C(C#N)c3ccccn3)cc2n1C ZINC000361660595 266867537 /nfs/dbraw/zinc/86/75/37/266867537.db2.gz BODAWFDNPYAODL-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN C[C@@H]1CC[C@@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000362186783 267028095 /nfs/dbraw/zinc/02/80/95/267028095.db2.gz KNLXRFBWHZNWLR-KBRIMQKVSA-N 0 3 295.386 2.888 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)cc2F)CCO[C@@H]1C1CC1 ZINC000273076442 267118830 /nfs/dbraw/zinc/11/88/30/267118830.db2.gz PMKRILXZTVGOOM-HZPDHXFCSA-N 0 3 274.339 2.745 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000117882235 267223899 /nfs/dbraw/zinc/22/38/99/267223899.db2.gz OOGPDDHYCHNZEU-OAHLLOKOSA-N 0 3 258.365 2.690 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)CC2(CCOCC2)O1 ZINC000369315592 267235629 /nfs/dbraw/zinc/23/56/29/267235629.db2.gz VPYPBDLRLPOWBX-HNNXBMFYSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)cc2F)CCO[C@H]1C1CC1 ZINC000273076441 267263362 /nfs/dbraw/zinc/26/33/62/267263362.db2.gz PMKRILXZTVGOOM-HOTGVXAUSA-N 0 3 274.339 2.745 20 30 CFEDHN Cc1cccc(NC[C@@H]2CCCN2CCCC#N)n1 ZINC000369899092 267275482 /nfs/dbraw/zinc/27/54/82/267275482.db2.gz DRGFOWZHUSRQLE-AWEZNQCLSA-N 0 3 258.369 2.570 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](CC(C)C)C1 ZINC000119371283 267325284 /nfs/dbraw/zinc/32/52/84/267325284.db2.gz IDPXEAQDHMIWJE-OAHLLOKOSA-N 0 3 279.428 2.507 20 30 CFEDHN C#CCCN1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000371184560 267360546 /nfs/dbraw/zinc/36/05/46/267360546.db2.gz OECCDWBGUMCYLM-ZDUSSCGKSA-N 0 3 264.756 2.602 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418153668 267372316 /nfs/dbraw/zinc/37/23/16/267372316.db2.gz WPQMTUGVYORRBT-GOEBONIOSA-N 0 3 287.407 2.527 20 30 CFEDHN C#CCCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000120126642 267384740 /nfs/dbraw/zinc/38/47/40/267384740.db2.gz YAHHMMKFJLKKIP-MRXNPFEDSA-N 0 3 284.403 2.700 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000305802157 268001456 /nfs/dbraw/zinc/00/14/56/268001456.db2.gz IFSXIWWRMREDBX-ZDUSSCGKSA-N 0 3 269.772 2.588 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2C[C@H](CO)c3ccccc32)C1 ZINC000377081688 268045142 /nfs/dbraw/zinc/04/51/42/268045142.db2.gz XKPKVNDINCCCKJ-VWPFQQQWSA-N 0 3 270.376 2.879 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3CCC2CC3)cc1 ZINC000373411021 268088290 /nfs/dbraw/zinc/08/82/90/268088290.db2.gz DXNZQZFZSPVTCW-AQFXKWCLSA-N 0 3 293.370 2.642 20 30 CFEDHN N#Cc1cc2c(nc1NC[C@@H]1CCN1C1CCCC1)CCC2 ZINC000528210612 268194981 /nfs/dbraw/zinc/19/49/81/268194981.db2.gz PZHCABQUBGCGLM-INIZCTEOSA-N 0 3 296.418 2.871 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN2C2CCCCC2)o1 ZINC000527752123 268232991 /nfs/dbraw/zinc/23/29/91/268232991.db2.gz MQWMYURALMLNJE-CQSZACIVSA-N 0 3 273.380 2.648 20 30 CFEDHN CCCN(CC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000042312584 270227517 /nfs/dbraw/zinc/22/75/17/270227517.db2.gz HCUSGCKHJBCANQ-UHFFFAOYSA-N 0 3 271.364 2.619 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(CCC(C)(C)C#N)C[C@H]1O ZINC000346956224 277237078 /nfs/dbraw/zinc/23/70/78/277237078.db2.gz ADWGOIUSPNKUNR-CHWSQXEVSA-N 0 3 252.402 2.655 20 30 CFEDHN C=CC1CCN(Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000346223560 273483916 /nfs/dbraw/zinc/48/39/16/273483916.db2.gz PRAQISYRTYHHFM-UHFFFAOYSA-N 0 3 282.391 2.974 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279186944 273487213 /nfs/dbraw/zinc/48/72/13/273487213.db2.gz VZPHRRAACDQXML-IAQYHMDHSA-N 0 3 290.363 2.844 20 30 CFEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@@H](C#N)C1)CCO2 ZINC000333091889 274133517 /nfs/dbraw/zinc/13/35/17/274133517.db2.gz OHSULDGGAWJNNH-JMSVASOKSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000283375500 274295169 /nfs/dbraw/zinc/29/51/69/274295169.db2.gz CYADDQATWGGLLI-KGYLQXTDSA-N 0 3 289.404 2.503 20 30 CFEDHN CC1(C)C[C@@]1(C#N)NC(=O)C1CCN(C2CC2)CC1 ZINC000330145537 275863594 /nfs/dbraw/zinc/86/35/94/275863594.db2.gz HJINWDRCSXKXMD-HNNXBMFYSA-N 0 3 261.369 2.510 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000346201064 276242409 /nfs/dbraw/zinc/24/24/09/276242409.db2.gz XAKGKLNEDYVTNO-LSDHHAIUSA-N 0 3 296.418 2.725 20 30 CFEDHN CCOC1CC2(C1)CCN(CC#Cc1ccccc1)C2 ZINC000285520462 276311530 /nfs/dbraw/zinc/31/15/30/276311530.db2.gz OZCNJTBNSAZMLB-UHFFFAOYSA-N 0 3 269.388 2.929 20 30 CFEDHN CCOC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341699050 276332250 /nfs/dbraw/zinc/33/22/50/276332250.db2.gz QLHLQSRZEVQOSD-LRDDRELGSA-N 0 3 258.365 2.950 20 30 CFEDHN C=C(Cl)CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288295207 276877120 /nfs/dbraw/zinc/87/71/20/276877120.db2.gz WMLXSSKZOPVUBA-OCCSQVGLSA-N 0 3 295.814 2.730 20 30 CFEDHN C=CC[C@@H](CC)N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000280984705 276907144 /nfs/dbraw/zinc/90/71/44/276907144.db2.gz IQTVYOMTTYQWTJ-CABCVRRESA-N 0 3 260.381 2.760 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000352446123 276925589 /nfs/dbraw/zinc/92/55/89/276925589.db2.gz VHOCWVWTLZDWRF-BFYDXBDKSA-N 0 3 296.455 2.594 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNc1c(C#N)cccc1C#N ZINC000447815862 277040544 /nfs/dbraw/zinc/04/05/44/277040544.db2.gz GQRGPTFXLVIJGX-HNNXBMFYSA-N 0 3 282.391 2.962 20 30 CFEDHN CN1CCC[C@]2(CCN(c3c(F)cc(C#N)cc3F)C2)C1 ZINC000292631068 277087118 /nfs/dbraw/zinc/08/71/18/277087118.db2.gz AETFRRMVFXRTIY-INIZCTEOSA-N 0 3 291.345 2.759 20 30 CFEDHN COCC1=CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000185821753 277200595 /nfs/dbraw/zinc/20/05/95/277200595.db2.gz YOJNXEVVBLBVBI-ZDUSSCGKSA-N 0 3 256.349 2.898 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000335141020 277764492 /nfs/dbraw/zinc/76/44/92/277764492.db2.gz INZDAHPRCHORQJ-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000275245451 277841165 /nfs/dbraw/zinc/84/11/65/277841165.db2.gz MALCCSQJKWCWSR-OAHLLOKOSA-N 0 3 279.428 2.512 20 30 CFEDHN C[C@@H]1C[C@H](O)CN(CCC2(C#N)CCCCC2)C1 ZINC000335626520 278031360 /nfs/dbraw/zinc/03/13/60/278031360.db2.gz RNLZRYSNCMEDAH-KGLIPLIRSA-N 0 3 250.386 2.553 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000336303573 278132699 /nfs/dbraw/zinc/13/26/99/278132699.db2.gz UWBVHDCIMFHBBQ-OQPBUACISA-N 0 3 264.275 2.618 20 30 CFEDHN CC1(C)CCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419207041 278246285 /nfs/dbraw/zinc/24/62/85/278246285.db2.gz LUYRGWBHYMUBDI-LSDHHAIUSA-N 0 3 285.391 2.501 20 30 CFEDHN CC(C)(C#N)CCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351968673 278257347 /nfs/dbraw/zinc/25/73/47/278257347.db2.gz RSXSKYPAHAMZDS-STQMWFEESA-N 0 3 250.386 2.816 20 30 CFEDHN C[C@@H](CO)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352849654 278291122 /nfs/dbraw/zinc/29/11/22/278291122.db2.gz XOZLEBJVJDWWPM-VHSXEESVSA-N 0 3 286.297 2.684 20 30 CFEDHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000271409373 278352361 /nfs/dbraw/zinc/35/23/61/278352361.db2.gz YAVAJHJBJBQHNK-CZUORRHYSA-N 0 3 286.375 2.895 20 30 CFEDHN CC(C)(CCC#N)CN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000352270590 278599608 /nfs/dbraw/zinc/59/96/08/278599608.db2.gz ILBGPCRMRRDJQK-INIZCTEOSA-N 0 3 299.418 2.926 20 30 CFEDHN CC[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000423488339 288072931 /nfs/dbraw/zinc/07/29/31/288072931.db2.gz VHSSTGIATGTEGK-UONOGXRCSA-N 0 3 279.334 2.596 20 30 CFEDHN C[C@@H]1c2ccccc2O[C@@H]1CNCc1cc(C#N)n(C)c1 ZINC000365830814 279139038 /nfs/dbraw/zinc/13/90/38/279139038.db2.gz JVYLYXFOWJTWRU-SJKOYZFVSA-N 0 3 281.359 2.551 20 30 CFEDHN CC(C#N)C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000335700645 279180874 /nfs/dbraw/zinc/18/08/74/279180874.db2.gz SDNXLGZWPAMKGQ-SNVBAGLBSA-N 0 3 287.750 2.797 20 30 CFEDHN CCN(CCN1CCCCCC1)c1nccc(C)c1C#N ZINC000343797417 279189117 /nfs/dbraw/zinc/18/91/17/279189117.db2.gz UQAAQZFAGWPEHY-UHFFFAOYSA-N 0 3 286.423 2.964 20 30 CFEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000452058278 279495620 /nfs/dbraw/zinc/49/56/20/279495620.db2.gz IADVHGVDBSAVLW-DLTLXFJOSA-N 0 3 299.418 2.889 20 30 CFEDHN N#Cc1ccc(N2CCC[C@H](N3CCCCCC3)C2=O)cc1 ZINC000182634709 279520279 /nfs/dbraw/zinc/52/02/79/279520279.db2.gz UFLKLANHHCYNGS-KRWDZBQOSA-N 0 3 297.402 2.930 20 30 CFEDHN CC[C@@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000298858791 280067602 /nfs/dbraw/zinc/06/76/02/280067602.db2.gz JLPYXKJFFHLEJR-CJNGLKHVSA-N 0 3 287.407 2.808 20 30 CFEDHN CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1ccc(C#N)cc1 ZINC000278360912 280198135 /nfs/dbraw/zinc/19/81/35/280198135.db2.gz BIOICMIGEBQKBC-JKSUJKDBSA-N 0 3 295.390 2.514 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000245684290 280959049 /nfs/dbraw/zinc/95/90/49/280959049.db2.gz PMFMKJGMFFSNLT-GNXNZQSNSA-N 0 3 262.328 2.743 20 30 CFEDHN CCOC[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249087441 281047756 /nfs/dbraw/zinc/04/77/56/281047756.db2.gz CHWHHVPAXJEGHW-HIFRSBDPSA-N 0 3 258.365 2.978 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1nccc(C#N)n1)N(C)C ZINC000450534527 281387489 /nfs/dbraw/zinc/38/74/89/281387489.db2.gz FWJNOSADLCJOJY-CJNGLKHVSA-N 0 3 295.390 2.760 20 30 CFEDHN CCc1ccc(C#CC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000293090102 281390506 /nfs/dbraw/zinc/39/05/06/281390506.db2.gz DWYZWGOUZTXVMU-MAUKXSAKSA-N 0 3 298.430 2.542 20 30 CFEDHN C[C@@H](NCc1ccccc1CO)c1cccc(C#N)c1 ZINC000540597210 281588283 /nfs/dbraw/zinc/58/82/83/281588283.db2.gz NKYXUCCNAQDETC-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN CN1CCC[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000555414421 281914439 /nfs/dbraw/zinc/91/44/39/281914439.db2.gz ZUFHXPXDJRDUBR-DLBZAZTESA-N 0 3 297.402 2.536 20 30 CFEDHN C[C@@H](C(=O)N(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000560828623 282042660 /nfs/dbraw/zinc/04/26/60/282042660.db2.gz ZAGMIKILVMNCKX-MJBXVCDLSA-N 0 3 285.391 2.782 20 30 CFEDHN CC(C(=O)N1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000335931329 289305509 /nfs/dbraw/zinc/30/55/09/289305509.db2.gz GFQGMORKIWRKAD-MRVPVSSYSA-N 0 3 268.238 2.646 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CC2CCCC2)s1 ZINC000563006708 290092684 /nfs/dbraw/zinc/09/26/84/290092684.db2.gz BBVUIIWRTSSNSB-LBPRGKRZSA-N 0 3 264.394 2.651 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000563216183 290119102 /nfs/dbraw/zinc/11/91/02/290119102.db2.gz HQUMZTBFESQPOH-PHIMTYICSA-N 0 3 259.309 2.554 20 30 CFEDHN N#Cc1cccc(CN2CCNC[C@H]2c2cccc(F)c2)c1 ZINC000567392508 290460574 /nfs/dbraw/zinc/46/05/74/290460574.db2.gz UBGYVHBJTXWNMM-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000178651005 301073974 /nfs/dbraw/zinc/07/39/74/301073974.db2.gz VKKJUATXEYDEGB-INIZCTEOSA-N 0 3 297.402 2.567 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H]1C[C@@H](OC)C1(CC)CC ZINC000570883763 327630392 /nfs/dbraw/zinc/63/03/92/327630392.db2.gz IVEOFRMVYXJRAJ-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)CSC)CC1 ZINC000337490227 327955709 /nfs/dbraw/zinc/95/57/09/327955709.db2.gz MPBIXXGSYTUUAD-UHFFFAOYSA-N 0 3 284.469 2.532 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000531587387 328016557 /nfs/dbraw/zinc/01/65/57/328016557.db2.gz CXXAEBWATJSUKZ-HRCADAONSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616380 328019440 /nfs/dbraw/zinc/01/94/40/328019440.db2.gz QVMWUPPEKFVXBV-GJZGRUSLSA-N 0 3 297.439 2.757 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](F)C1 ZINC000563330105 328055614 /nfs/dbraw/zinc/05/56/14/328055614.db2.gz DEFQGSLCPHHBOY-GJZGRUSLSA-N 0 3 274.339 2.719 20 30 CFEDHN CNC(=O)c1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000563532905 328072221 /nfs/dbraw/zinc/07/22/21/328072221.db2.gz VXVZXWMTNBWRCT-UHFFFAOYSA-N 0 3 285.391 2.562 20 30 CFEDHN COc1ccc(CN(C)CCCCC#N)c(OC)c1 ZINC000269025260 328188911 /nfs/dbraw/zinc/18/89/11/328188911.db2.gz RJTSRFOMNLKXJW-UHFFFAOYSA-N 0 3 262.353 2.829 20 30 CFEDHN CN(C)Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000414497981 328189202 /nfs/dbraw/zinc/18/92/02/328189202.db2.gz LWMDTPJXDCICGU-AAEUAGOBSA-N 0 3 261.344 2.991 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000278583905 328227614 /nfs/dbraw/zinc/22/76/14/328227614.db2.gz KKUHYKOPCAPVST-PBHICJAKSA-N 0 3 297.402 2.573 20 30 CFEDHN Cc1cccc(CN2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000278600635 328228020 /nfs/dbraw/zinc/22/80/20/328228020.db2.gz LUWMMICBYVCAIO-SJLPKXTDSA-N 0 3 283.419 2.805 20 30 CFEDHN Cc1nn(C)c(Cl)c1CNCC1CCC(C#N)CC1 ZINC000282391782 328242176 /nfs/dbraw/zinc/24/21/76/328242176.db2.gz PAMOALJLGNBQMR-UHFFFAOYSA-N 0 3 280.803 2.802 20 30 CFEDHN COc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000295000031 328284182 /nfs/dbraw/zinc/28/41/82/328284182.db2.gz IHNJICVULZVZDF-AAEUAGOBSA-N 0 3 290.363 2.581 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296201040 328289434 /nfs/dbraw/zinc/28/94/34/328289434.db2.gz ZDTIFWRCFMPMFG-GMXVVIOVSA-N 0 3 259.309 2.938 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccncc1F ZINC000340533714 328289843 /nfs/dbraw/zinc/28/98/43/328289843.db2.gz OROHEAYNNIZCGF-HUBLWGQQSA-N 0 3 264.344 2.853 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@H](C)N1CCCC1)c1ccccc1 ZINC000534799569 328362077 /nfs/dbraw/zinc/36/20/77/328362077.db2.gz CSHNCIZYEXVDMW-HOTGVXAUSA-N 0 3 286.419 2.947 20 30 CFEDHN CC(C)CC[C@H](O)CNCc1ccc(C#N)s1 ZINC000575248271 322723174 /nfs/dbraw/zinc/72/31/74/322723174.db2.gz DIBCGLMEWOBYLC-NSHDSACASA-N 0 3 252.383 2.506 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000177708369 323702434 /nfs/dbraw/zinc/70/24/34/323702434.db2.gz PJIKIDRGXMZGJM-JSGCOSHPSA-N 0 3 264.394 2.913 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccoc1 ZINC000181156180 323802785 /nfs/dbraw/zinc/80/27/85/323802785.db2.gz SHIBZVCYKMRJRJ-GFCCVEGCSA-N 0 3 256.305 2.881 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415978504 328432251 /nfs/dbraw/zinc/43/22/51/328432251.db2.gz UXYRJUXCYZOQLY-UHFFFAOYSA-N 0 3 291.370 2.805 20 30 CFEDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000183060153 323897732 /nfs/dbraw/zinc/89/77/32/323897732.db2.gz FTCVGUNRBIXFBQ-NEPJUHHUSA-N 0 3 259.353 2.521 20 30 CFEDHN C[C@@H](NCC1(CO)CCCC1)c1ccc(C#N)c(F)c1 ZINC000349419309 324173288 /nfs/dbraw/zinc/17/32/88/324173288.db2.gz CGWOINWWUHPEBN-GFCCVEGCSA-N 0 3 276.355 2.901 20 30 CFEDHN CCC[C@@H](C)[C@@H](CO)NCc1cc(C#N)cs1 ZINC000577380414 324731279 /nfs/dbraw/zinc/73/12/79/324731279.db2.gz ZFHRWRQXURJTCN-ZWNOBZJWSA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccc(C#N)cn1 ZINC000581377644 325115790 /nfs/dbraw/zinc/11/57/90/325115790.db2.gz KUJMZPPXXZQSMG-HZPDHXFCSA-N 0 3 273.380 2.637 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCOc1ncccc1F)CC2 ZINC000583351176 325280097 /nfs/dbraw/zinc/28/00/97/325280097.db2.gz NGLAXWQZWCOWAC-INIZCTEOSA-N 0 3 297.333 2.748 20 30 CFEDHN CCN(C)C[C@@H](O)CSc1ccc(C#N)cc1Cl ZINC000583509916 325293086 /nfs/dbraw/zinc/29/30/86/325293086.db2.gz AZOUWOSLLGZSCH-LLVKDONJSA-N 0 3 284.812 2.616 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000186716406 326796621 /nfs/dbraw/zinc/79/66/21/326796621.db2.gz JYBPWOHZADAHRU-OLZOCXBDSA-N 0 3 279.380 2.600 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000037547723 326855846 /nfs/dbraw/zinc/85/58/46/326855846.db2.gz DUDYBFQEWUFLOP-OAHLLOKOSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451875738 331045661 /nfs/dbraw/zinc/04/56/61/331045661.db2.gz WFVHALAPORARNS-GFCCVEGCSA-N 0 3 264.335 2.769 20 30 CFEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2ccccc2)CC1 ZINC000556482939 326944329 /nfs/dbraw/zinc/94/43/29/326944329.db2.gz SIZFFFVVDWVEAD-QGZVFWFLSA-N 0 3 296.418 2.684 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000558518243 327101267 /nfs/dbraw/zinc/10/12/67/327101267.db2.gz DBZAWGYCZAOASC-XHSDSOJGSA-N 0 3 291.439 2.649 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(Nc3ccccn3)CC2)C1 ZINC000559145697 327142956 /nfs/dbraw/zinc/14/29/56/327142956.db2.gz QAEIFYDORJJDDD-ZFWWWQNUSA-N 0 3 270.380 2.650 20 30 CFEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1C(F)(F)F ZINC000566181056 327158243 /nfs/dbraw/zinc/15/82/43/327158243.db2.gz TUHJKBBWUQDGMT-LBPRGKRZSA-N 0 3 299.296 2.974 20 30 CFEDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)NCC1(C#N)CC1 ZINC000559332479 327160592 /nfs/dbraw/zinc/16/05/92/327160592.db2.gz ICADBCSSONNVHP-AWEZNQCLSA-N 0 3 288.391 2.918 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](C)C1)C(C)C ZINC000410387571 327190764 /nfs/dbraw/zinc/19/07/64/327190764.db2.gz IOCQCLLDJCTKLB-HOTGVXAUSA-N 0 3 293.455 2.736 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000181314204 327208484 /nfs/dbraw/zinc/20/84/84/327208484.db2.gz XSXQHWRIHWWUBB-MRXNPFEDSA-N 0 3 277.408 2.859 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000112545358 327286542 /nfs/dbraw/zinc/28/65/42/327286542.db2.gz OHHMSFUUJXLNTE-CABCVRRESA-N 0 3 287.407 2.715 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccccc2Cn2cccn2)C1 ZINC000583360766 327319841 /nfs/dbraw/zinc/31/98/41/327319841.db2.gz VASTXOGUTPJJTR-YOEHRIQHSA-N 0 3 280.375 2.713 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000150746225 327369484 /nfs/dbraw/zinc/36/94/84/327369484.db2.gz QPILCOGGKSINKJ-OKILXGFUSA-N 0 3 279.428 2.609 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(-n2ccnn2)c1 ZINC000561348132 327387848 /nfs/dbraw/zinc/38/78/48/327387848.db2.gz KSBUSKPUDSFPAU-ZDUSSCGKSA-N 0 3 281.363 2.612 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CC[C@H](C)CC2)CC1 ZINC000247229348 327451647 /nfs/dbraw/zinc/45/16/47/327451647.db2.gz UEFXPCWJGGDUSV-SHTZXODSSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2C[C@@H]2OCC)ccc1OC ZINC000562467966 327483211 /nfs/dbraw/zinc/48/32/11/327483211.db2.gz SELDETUFJMEWSS-HOCLYGCPSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000248552489 327495891 /nfs/dbraw/zinc/49/58/91/327495891.db2.gz HECXWFLMBDILAT-IIAWOOMASA-N 0 3 293.455 2.761 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C1(C)CCCC1 ZINC000489857059 332070361 /nfs/dbraw/zinc/07/03/61/332070361.db2.gz JUKAQHVRUCTQCM-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN CC1(C)CC[C@@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000570407936 327589487 /nfs/dbraw/zinc/58/94/87/327589487.db2.gz PWLQZLYUYNCOFU-HNNXBMFYSA-N 0 3 285.391 2.711 20 30 CFEDHN CN(C)C(=O)c1ccccc1CN1CCC(CCC#N)CC1 ZINC000570451485 327592524 /nfs/dbraw/zinc/59/25/24/327592524.db2.gz ODXLVTROXIOUIN-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000542265218 328693746 /nfs/dbraw/zinc/69/37/46/328693746.db2.gz FQVLHTMLOJMQPQ-CQSZACIVSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCCCCCNCc1cn(Cc2cccnc2)nn1 ZINC000583641247 328724826 /nfs/dbraw/zinc/72/48/26/328724826.db2.gz JMCVIZMSQLDELB-UHFFFAOYSA-N 0 3 285.395 2.557 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000358321163 328882233 /nfs/dbraw/zinc/88/22/33/328882233.db2.gz QZSXEWOEQPHTTM-CHWSQXEVSA-N 0 3 279.380 2.946 20 30 CFEDHN CC[C@@H](CNC[C@H](C#N)CCC#N)CC(F)(F)F ZINC000583683550 328901129 /nfs/dbraw/zinc/90/11/29/328901129.db2.gz LOLQYJXJQYLHBS-MNOVXSKESA-N 0 3 261.291 2.998 20 30 CFEDHN Cc1ccsc1[C@H](CO)N[C@H]1CCC[C@H](C#N)C1 ZINC000361425634 328925372 /nfs/dbraw/zinc/92/53/72/328925372.db2.gz HSDRFHSBBXNOCK-AVGNSLFASA-N 0 3 264.394 2.762 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000361428004 328925604 /nfs/dbraw/zinc/92/56/04/328925604.db2.gz XLKXJDBJXLFJSZ-OIISXLGYSA-N 0 3 272.392 2.954 20 30 CFEDHN CCN(CC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000377467151 329015978 /nfs/dbraw/zinc/01/59/78/329015978.db2.gz CFYMMBUGQHJJTP-GDBMZVCRSA-N 0 3 257.381 2.667 20 30 CFEDHN CC(C)[C@]1(CO)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000377680960 329024301 /nfs/dbraw/zinc/02/43/01/329024301.db2.gz NHKAJBWRZQINDR-QGZVFWFLSA-N 0 3 275.367 2.518 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)cc1 ZINC000377707379 329026465 /nfs/dbraw/zinc/02/64/65/329026465.db2.gz WSZNEGBTIXYWRB-OALUTQOASA-N 0 3 296.414 2.643 20 30 CFEDHN C=C(C)CN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000378194524 329042885 /nfs/dbraw/zinc/04/28/85/329042885.db2.gz ZUOOEIYIFVGVOR-UHFFFAOYSA-N 0 3 291.391 2.689 20 30 CFEDHN N#CCCN(C(=O)CN1CC[C@H](C2CC2)C1)c1ccccc1 ZINC000378320083 329045843 /nfs/dbraw/zinc/04/58/43/329045843.db2.gz OVRSMVMZVRNSEC-INIZCTEOSA-N 0 3 297.402 2.665 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@H](c2ccncn2)C1 ZINC000378331684 329046441 /nfs/dbraw/zinc/04/64/41/329046441.db2.gz GMQZCKOEGPIPPG-AWEZNQCLSA-N 0 3 272.396 2.986 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000378399261 329049019 /nfs/dbraw/zinc/04/90/19/329049019.db2.gz RDCFAUFOXFWANN-MJGOQNOKSA-N 0 3 298.430 2.914 20 30 CFEDHN Cc1cccc(OC2CCN(CCCCC#N)CC2)n1 ZINC000378438985 329050509 /nfs/dbraw/zinc/05/05/09/329050509.db2.gz LYUCHXUIDPVYDL-UHFFFAOYSA-N 0 3 273.380 2.927 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H](C)CCC)CC1 ZINC000171716270 329078996 /nfs/dbraw/zinc/07/89/96/329078996.db2.gz TZJZKFNBXUTAPP-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000171723273 329079126 /nfs/dbraw/zinc/07/91/26/329079126.db2.gz PTIJBMGMMKRUEI-HUUCEWRRSA-N 0 3 293.455 2.762 20 30 CFEDHN C[C@@H]1[C@@H](C)CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000172864861 329139421 /nfs/dbraw/zinc/13/94/21/329139421.db2.gz YPDGEUCECMDQMI-LSDHHAIUSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCOCCCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000173722560 329147659 /nfs/dbraw/zinc/14/76/59/329147659.db2.gz XQGNXRGAVCJZPX-UHFFFAOYSA-N 0 3 296.455 2.550 20 30 CFEDHN N#CCSCCCN1CCC[C@@H](c2nccs2)C1 ZINC000173876668 329153072 /nfs/dbraw/zinc/15/30/72/329153072.db2.gz PWCUVOOLGPZIBN-GFCCVEGCSA-N 0 3 281.450 2.969 20 30 CFEDHN C=CCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000175542153 329169614 /nfs/dbraw/zinc/16/96/14/329169614.db2.gz KUALTKGODARXTR-OAHLLOKOSA-N 0 3 264.413 2.820 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)CC[C@@H]2C)CC1 ZINC000176499032 329176018 /nfs/dbraw/zinc/17/60/18/329176018.db2.gz DXWTTYLGXWONCQ-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCOC1 ZINC000177373123 329185906 /nfs/dbraw/zinc/18/59/06/329185906.db2.gz FDSKEPNCXAFHJC-CQSZACIVSA-N 0 3 263.768 2.660 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCCO[C@@H](C)C2)cc1 ZINC000179396662 329205283 /nfs/dbraw/zinc/20/52/83/329205283.db2.gz NDDZCGBGYYELQB-KBPBESRZSA-N 0 3 274.364 2.588 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1c(C)cccc1C ZINC000181270806 329228807 /nfs/dbraw/zinc/22/88/07/329228807.db2.gz XQVDYVGJNHBRCW-HNNXBMFYSA-N 0 3 263.381 2.551 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(=O)[nH]1 ZINC000183203659 329248628 /nfs/dbraw/zinc/24/86/28/329248628.db2.gz DHHSKEXISKSGIG-LLVKDONJSA-N 0 3 293.282 2.727 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC000183677450 329249365 /nfs/dbraw/zinc/24/93/65/329249365.db2.gz YHWCZBTUBDWDSZ-UONOGXRCSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000185057574 329265300 /nfs/dbraw/zinc/26/53/00/329265300.db2.gz RPZLLLDAAIMMTF-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1OC ZINC000321183968 329271628 /nfs/dbraw/zinc/27/16/28/329271628.db2.gz ZYVHNIFLJBDSCI-QWHCGFSZSA-N 0 3 279.380 2.682 20 30 CFEDHN Cc1ccnc([C@@H]2CCN([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000582854555 329280810 /nfs/dbraw/zinc/28/08/10/329280810.db2.gz RDGRZHXGABRKOM-KFWWJZLASA-N 0 3 255.365 2.872 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC[C@H](C#N)CCC#N ZINC000583049163 329303390 /nfs/dbraw/zinc/30/33/90/329303390.db2.gz QLQOJEOISOKCMR-RRFJBIMHSA-N 0 3 277.412 2.861 20 30 CFEDHN CC[C@H]1[C@H](C)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647646 329328373 /nfs/dbraw/zinc/32/83/73/329328373.db2.gz QKLFWOJYIJNPSF-CABCVRRESA-N 0 3 291.439 2.792 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000185867916 329333871 /nfs/dbraw/zinc/33/38/71/329333871.db2.gz ZKMURHQHTKFQRI-HIFRSBDPSA-N 0 3 296.374 2.951 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186165476 329338652 /nfs/dbraw/zinc/33/86/52/329338652.db2.gz PLTILTCIIZBKOT-HNNXBMFYSA-N 0 3 257.377 2.861 20 30 CFEDHN C=CCCCCCN1CCN(Cc2ccccn2)CC1 ZINC000193299657 329439834 /nfs/dbraw/zinc/43/98/34/329439834.db2.gz UVLIHNPYTNXOSP-UHFFFAOYSA-N 0 3 273.424 2.946 20 30 CFEDHN C[C@H](NCc1ccc(CC#N)cc1)c1ccncc1 ZINC000398951153 329446491 /nfs/dbraw/zinc/44/64/91/329446491.db2.gz DLZRRNWJZCQLDL-ZDUSSCGKSA-N 0 3 251.333 2.998 20 30 CFEDHN C=C(C)C(C)(C)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000425220479 329645078 /nfs/dbraw/zinc/64/50/78/329645078.db2.gz CFQHYUAVDSKXMA-UHFFFAOYSA-N 0 3 291.395 2.563 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248517775 329891068 /nfs/dbraw/zinc/89/10/68/329891068.db2.gz ANMCPMJOGDXKNG-FICVDOATSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2ccccc2[nH]c1=O ZINC000571851047 329925949 /nfs/dbraw/zinc/92/59/49/329925949.db2.gz ZRGRKDHXGLUCCT-CVEARBPZSA-N 0 3 284.359 2.764 20 30 CFEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccccc1 ZINC000263650635 330060128 /nfs/dbraw/zinc/06/01/28/330060128.db2.gz BLDXCAVHRMCNPH-UHFFFAOYSA-N 0 3 272.392 2.712 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)c1ccccc1Br ZINC000272456098 330086017 /nfs/dbraw/zinc/08/60/17/330086017.db2.gz CUJGMSKWXAUFMZ-CYBMUJFWSA-N 0 3 284.197 2.990 20 30 CFEDHN C[C@@H](O)[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272485442 330086127 /nfs/dbraw/zinc/08/61/27/330086127.db2.gz BNTFCZZFLFILIR-OCCSQVGLSA-N 0 3 297.320 2.760 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCN(C(=O)CC)C1)c1ccco1 ZINC000278857159 330120741 /nfs/dbraw/zinc/12/07/41/330120741.db2.gz FFXSAWBCBREQDB-KBPBESRZSA-N 0 3 276.380 2.887 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@@H]2NCCc3ccccc32)C1 ZINC000423415633 330197606 /nfs/dbraw/zinc/19/76/06/330197606.db2.gz DYSNKXBGYJEIJV-KMFMINBZSA-N 0 3 269.392 2.545 20 30 CFEDHN C=CCC1(C(=O)Nc2cccc(CNC)c2)CCOCC1 ZINC000424056775 330218505 /nfs/dbraw/zinc/21/85/05/330218505.db2.gz HWXMIQCIJDTENZ-UHFFFAOYSA-N 0 3 288.391 2.717 20 30 CFEDHN CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCCC#N ZINC000424065913 330219288 /nfs/dbraw/zinc/21/92/88/330219288.db2.gz MFDYGSQNSLPIFV-NSHDSACASA-N 0 3 299.827 2.771 20 30 CFEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424077385 330221088 /nfs/dbraw/zinc/22/10/88/330221088.db2.gz NXSSGSZVDFOYOQ-ZWNOBZJWSA-N 0 3 279.771 2.538 20 30 CFEDHN CCC1CCC(N(C(=O)[C@H](N)CCCC#N)C2CC2)CC1 ZINC000424093803 330226386 /nfs/dbraw/zinc/22/63/86/330226386.db2.gz KELQSGZLSQYYON-ZBCRRDGASA-N 0 3 291.439 2.967 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424103009 330233682 /nfs/dbraw/zinc/23/36/82/330233682.db2.gz RWPSVIBDHCOZBN-RDBSUJKOSA-N 0 3 279.428 2.729 20 30 CFEDHN CC(C)(CCc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424109322 330237159 /nfs/dbraw/zinc/23/71/59/330237159.db2.gz ABMVYJFFLRBVFY-HNNXBMFYSA-N 0 3 287.407 2.535 20 30 CFEDHN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)s1 ZINC000424111553 330239846 /nfs/dbraw/zinc/23/98/46/330239846.db2.gz ASJRVZNHIFXKSZ-STQMWFEESA-N 0 3 291.420 2.741 20 30 CFEDHN Cc1ccc(CN(C(=O)[C@H](N)CCCC#N)C2CC2)cc1C ZINC000424116018 330243388 /nfs/dbraw/zinc/24/33/88/330243388.db2.gz BDDYTVJUMITGOF-QGZVFWFLSA-N 0 3 299.418 2.816 20 30 CFEDHN C[C@@]1(c2ccccc2)CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424122881 330255001 /nfs/dbraw/zinc/25/50/01/330255001.db2.gz JXLVVJUUDJHFCL-SJLPKXTDSA-N 0 3 299.418 2.588 20 30 CFEDHN C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424122880 330255084 /nfs/dbraw/zinc/25/50/84/330255084.db2.gz JXLVVJUUDJHFCL-FUHWJXTLSA-N 0 3 299.418 2.588 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000424123538 330255934 /nfs/dbraw/zinc/25/59/34/330255934.db2.gz LBSAHZRPXJAGBJ-LBPRGKRZSA-N 0 3 299.296 2.751 20 30 CFEDHN CC(C)CC[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000424133136 330265564 /nfs/dbraw/zinc/26/55/64/330265564.db2.gz XAMBCUPQDTVQFG-ZIAGYGMSSA-N 0 3 281.444 2.975 20 30 CFEDHN C=CC[C@@H](C)NCc1csc(-c2cnn(C)c2)n1 ZINC000527663034 330273901 /nfs/dbraw/zinc/27/39/01/330273901.db2.gz XSLHENWWCFOLDI-SNVBAGLBSA-N 0 3 262.382 2.598 20 30 CFEDHN CC(C)CCC1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424139498 330279009 /nfs/dbraw/zinc/27/90/09/330279009.db2.gz RFQRRUUBLZYKSJ-HNNXBMFYSA-N 0 3 279.428 2.682 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCc2ccccc2)nn1 ZINC000424144622 330289979 /nfs/dbraw/zinc/28/99/79/330289979.db2.gz SNCHUCQKKQHOQV-CQSZACIVSA-N 0 3 270.380 2.575 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)CCc2ccccc2)nn1 ZINC000527909068 330290558 /nfs/dbraw/zinc/29/05/58/330290558.db2.gz IWRPMPUAMXFBDJ-MRXNPFEDSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)CCc2ccccc2)nn1 ZINC000527909067 330290587 /nfs/dbraw/zinc/29/05/87/330290587.db2.gz IWRPMPUAMXFBDJ-INIZCTEOSA-N 0 3 284.407 2.965 20 30 CFEDHN Cc1ccccc1C1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424147123 330293838 /nfs/dbraw/zinc/29/38/38/330293838.db2.gz XQZSWPDYRRVDFE-KRWDZBQOSA-N 0 3 299.418 2.722 20 30 CFEDHN Cn1cc2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cc2n1 ZINC000527967156 330301246 /nfs/dbraw/zinc/30/12/46/330301246.db2.gz XEJUNKJCIVSQTJ-DOMZBBRYSA-N 0 3 268.364 2.745 20 30 CFEDHN CC1(C)CC(NC(=O)[C@@H](N)CCCC#N)CC(C)(C)C1 ZINC000424167342 330309843 /nfs/dbraw/zinc/30/98/43/330309843.db2.gz DMQYQDWSVSODQB-ZDUSSCGKSA-N 0 3 279.428 2.729 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1conc1Cc1ccccc1 ZINC000424172075 330311792 /nfs/dbraw/zinc/31/17/92/330311792.db2.gz NGVJXXAPQKHEFA-YJBOKZPZSA-N 0 3 298.386 2.946 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(F)c(F)cc1F ZINC000424170075 330312102 /nfs/dbraw/zinc/31/21/02/330312102.db2.gz IOZPJZSQMFDDAV-XPTSAGLGSA-N 0 3 271.282 2.785 20 30 CFEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)C[C@@H]1c1ccccc1 ZINC000424173050 330313593 /nfs/dbraw/zinc/31/35/93/330313593.db2.gz MPVSPNJBHRHUIL-CVEARBPZSA-N 0 3 299.418 2.660 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000424176392 330316608 /nfs/dbraw/zinc/31/66/08/330316608.db2.gz XMVRBLWEMISDBA-MNOVXSKESA-N 0 3 288.317 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc(CCC)cs1 ZINC000424176848 330317304 /nfs/dbraw/zinc/31/73/04/330317304.db2.gz RYBOXADTSFHJHU-AAEUAGOBSA-N 0 3 266.410 2.776 20 30 CFEDHN COc1cc(C)c(NC(=O)[C@H](N)CCCC#N)c(C)c1C ZINC000424183696 330320155 /nfs/dbraw/zinc/32/01/55/330320155.db2.gz WHUWVUCDGCHNFQ-CYBMUJFWSA-N 0 3 289.379 2.580 20 30 CFEDHN CCC1(CC)CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424189822 330322855 /nfs/dbraw/zinc/32/28/55/330322855.db2.gz NZRBXVSSLYHHSE-CQSZACIVSA-N 0 3 279.428 2.826 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cc3ccccc3[nH]c2=O)C1 ZINC000424191395 330323723 /nfs/dbraw/zinc/32/37/23/330323723.db2.gz HIAHPVBVIMPKNG-SMDDNHRTSA-N 0 3 267.332 2.722 20 30 CFEDHN COc1cc2c(c(CN[C@@H]3CC[C@H](C#N)C3)c1)O[C@@H](C)C2 ZINC000424194302 330324295 /nfs/dbraw/zinc/32/42/95/330324295.db2.gz LISNTHHYQLMKMK-SLEUVZQESA-N 0 3 286.375 2.800 20 30 CFEDHN C=CCn1cc(CNC2CCC(C(F)(F)F)CC2)nn1 ZINC000424295906 330336023 /nfs/dbraw/zinc/33/60/23/330336023.db2.gz NSBDXZQGJLZJIZ-UHFFFAOYSA-N 0 3 288.317 2.675 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCCC(C)C)nn1 ZINC000424298443 330336528 /nfs/dbraw/zinc/33/65/28/330336528.db2.gz SIJZKUQUWWUHQX-ZDUSSCGKSA-N 0 3 250.390 2.769 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccncc1Cl ZINC000424300035 330336998 /nfs/dbraw/zinc/33/69/98/330336998.db2.gz WTDNJANYEPCQSC-SUNKGSAMSA-N 0 3 266.772 2.977 20 30 CFEDHN C=CCn1cc(CN[C@@H](CCC)[C@@H]2CC2(C)C)nn1 ZINC000424301344 330337904 /nfs/dbraw/zinc/33/79/04/330337904.db2.gz ZTQPJUVTXGYBMC-KBPBESRZSA-N 0 3 262.401 2.769 20 30 CFEDHN COC(=O)c1csc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424316250 330339408 /nfs/dbraw/zinc/33/94/08/330339408.db2.gz AZIVBSSLEIXSPQ-JFGNBEQYSA-N 0 3 278.377 2.878 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCOCC2)c1 ZINC000424333963 330342967 /nfs/dbraw/zinc/34/29/67/330342967.db2.gz VAWCPKJWFNMXPN-HLLBOEOZSA-N 0 3 299.418 2.866 20 30 CFEDHN COc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424334542 330343050 /nfs/dbraw/zinc/34/30/50/330343050.db2.gz VTQOSBURYKYDOS-GHJWDPDVSA-N 0 3 256.349 2.964 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1cc(C)cc(CN)c1 ZINC000424418481 330350829 /nfs/dbraw/zinc/35/08/29/330350829.db2.gz BHSLDEWYWXIPIP-ZDUSSCGKSA-N 0 3 261.369 2.930 20 30 CFEDHN CC[C@@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088523967 330377360 /nfs/dbraw/zinc/37/73/60/330377360.db2.gz YUMGPMOWSJIDPL-WBVHZDCISA-N 0 3 271.408 2.915 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000090451431 330392744 /nfs/dbraw/zinc/39/27/44/330392744.db2.gz XCEXOTBPIHXTPE-ZDUSSCGKSA-N 0 3 251.374 2.707 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1 ZINC000516070541 330486563 /nfs/dbraw/zinc/48/65/63/330486563.db2.gz IQRIZXSFSSZKKA-QLFBSQMISA-N 0 3 272.392 2.555 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@@H]2C)N(C)C)cc1 ZINC000448609185 330728973 /nfs/dbraw/zinc/72/89/73/330728973.db2.gz ZIJIRANSDVLEMB-QANKJYHBSA-N 0 3 299.418 2.518 20 30 CFEDHN COCC(C)(C)NCC#Cc1ccccc1Cl ZINC000441154523 330761062 /nfs/dbraw/zinc/76/10/62/330761062.db2.gz KLQWWXLKDKCUDA-UHFFFAOYSA-N 0 3 251.757 2.706 20 30 CFEDHN Clc1ccccc1C#CCN1CCN(C2CCC2)CC1 ZINC000441161108 330761395 /nfs/dbraw/zinc/76/13/95/330761395.db2.gz BBMZOYGPLHRMDS-UHFFFAOYSA-N 0 3 288.822 2.862 20 30 CFEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442712941 330780368 /nfs/dbraw/zinc/78/03/68/330780368.db2.gz HWBZYZAZVSNVCE-VBQJREDUSA-N 0 3 299.418 2.997 20 30 CFEDHN COc1ccc(C2(N[C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000442861952 330787870 /nfs/dbraw/zinc/78/78/70/330787870.db2.gz DXAFLHKQZQWSIH-TZMCWYRMSA-N 0 3 256.349 2.966 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000442867396 330788746 /nfs/dbraw/zinc/78/87/46/330788746.db2.gz LFMJIDGBGISTHY-SUNKGSAMSA-N 0 3 260.312 2.931 20 30 CFEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000442876650 330789721 /nfs/dbraw/zinc/78/97/21/330789721.db2.gz VMFALHMTQHHMRS-JKSUJKDBSA-N 0 3 298.434 2.851 20 30 CFEDHN Cn1cc([C@H](N[C@H]2CC[C@@H](C#N)C2)C(C)(C)C)cn1 ZINC000442882934 330790492 /nfs/dbraw/zinc/79/04/92/330790492.db2.gz SVMKHWRWRKBHIM-XBFCOCLRSA-N 0 3 260.385 2.789 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC(F)(F)F)C(C)C ZINC000445886297 330841198 /nfs/dbraw/zinc/84/11/98/330841198.db2.gz CKIGXVZNRJRXCG-LBPRGKRZSA-N 0 3 292.345 2.754 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000448923360 330888452 /nfs/dbraw/zinc/88/84/52/330888452.db2.gz USRYSCOJUWFAOD-XJKSGUPXSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C[C@@H](C)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449196262 330905466 /nfs/dbraw/zinc/90/54/66/330905466.db2.gz XLHUBKUXOQIFIK-GFCCVEGCSA-N 0 3 257.337 2.545 20 30 CFEDHN CO[C@H](CN[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000449392478 330921787 /nfs/dbraw/zinc/92/17/87/330921787.db2.gz JCMRVYMXVMHLKN-JYJNAYRXSA-N 0 3 258.365 2.526 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(C(F)(F)F)c2)C1 ZINC000449436799 330925463 /nfs/dbraw/zinc/92/54/63/330925463.db2.gz GMRCFVRNHKTZCC-GXSJLCMTSA-N 0 3 269.270 2.882 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000449519406 330933266 /nfs/dbraw/zinc/93/32/66/330933266.db2.gz MKUWEUVWMWEKQH-SJORKVTESA-N 0 3 286.375 2.802 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c(F)c1 ZINC000449519800 330933335 /nfs/dbraw/zinc/93/33/35/330933335.db2.gz NKZVPBKKGUJGLL-OLZOCXBDSA-N 0 3 255.720 2.912 20 30 CFEDHN C=CCC1(CNCc2c(C)nn(C)c2OC)CCCC1 ZINC000449602093 330938952 /nfs/dbraw/zinc/93/89/52/330938952.db2.gz BUXPWSVAXHQYMU-UHFFFAOYSA-N 0 3 277.412 2.963 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449712582 330945640 /nfs/dbraw/zinc/94/56/40/330945640.db2.gz SMSQZQFTQWJNIQ-NWDGAFQWSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(SC)c2)CC1 ZINC000449842073 330951779 /nfs/dbraw/zinc/95/17/79/330951779.db2.gz BXBLEFLGMGUJLS-UHFFFAOYSA-N 0 3 290.432 2.789 20 30 CFEDHN N#CC1(CN2CCC[C@]2(CO)Cc2ccccc2)CCC1 ZINC000450831179 331001709 /nfs/dbraw/zinc/00/17/09/331001709.db2.gz FVKUPPGAUOVFBU-GOSISDBHSA-N 0 3 284.403 2.750 20 30 CFEDHN CCOC(=O)[C@@]1(C(C)C)CCN(CC2(C#N)CCC2)C1 ZINC000450863353 331003580 /nfs/dbraw/zinc/00/35/80/331003580.db2.gz AREJXHVWDFAJKC-INIZCTEOSA-N 0 3 278.396 2.591 20 30 CFEDHN CCOC(=O)CC1(NCC2(C#N)CCC2)CCCC1 ZINC000450881839 331004581 /nfs/dbraw/zinc/00/45/81/331004581.db2.gz MKLWLZBCYYEZLC-UHFFFAOYSA-N 0 3 264.369 2.536 20 30 CFEDHN C=CCC1(C(=O)NCC2(N(C)C)CCC2)CCCC1 ZINC000451009812 331011658 /nfs/dbraw/zinc/01/16/58/331011658.db2.gz QZWZHMSOZITOSC-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CC[C@@H]1[C@@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000451250282 331021965 /nfs/dbraw/zinc/02/19/65/331021965.db2.gz DFFCILYVMAYDQB-GDBMZVCRSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451401935 331027677 /nfs/dbraw/zinc/02/76/77/331027677.db2.gz AJGRHTGCIPRQJA-UTUOFQBUSA-N 0 3 265.319 2.976 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000451596026 331035478 /nfs/dbraw/zinc/03/54/78/331035478.db2.gz FCANYQUUFXBFGE-BMFZPTHFSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451596675 331035554 /nfs/dbraw/zinc/03/55/54/331035554.db2.gz GTKDLEQSLLDRFT-HONMWMINSA-N 0 3 262.309 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000451604487 331036219 /nfs/dbraw/zinc/03/62/19/331036219.db2.gz HCVDUFNSIHIPRB-GDLCADMTSA-N 0 3 294.782 2.600 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(F)ccc1F ZINC000451606252 331036370 /nfs/dbraw/zinc/03/63/70/331036370.db2.gz NATKVDCBBAHWEZ-FZZIBODNSA-N 0 3 253.292 2.959 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@H](C)CCCC(C)C ZINC000451683874 331039027 /nfs/dbraw/zinc/03/90/27/331039027.db2.gz VYWDTONSRBQQPS-OAGGEKHMSA-N 0 3 296.455 2.641 20 30 CFEDHN CC1(C)COC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000451809755 331043345 /nfs/dbraw/zinc/04/33/45/331043345.db2.gz NNJBCUZOWXXLBV-AWEZNQCLSA-N 0 3 263.768 2.706 20 30 CFEDHN C=C(CC)CN1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000452007041 331050182 /nfs/dbraw/zinc/05/01/82/331050182.db2.gz PPCKQFQTBXRTDX-HOTGVXAUSA-N 0 3 273.376 2.841 20 30 CFEDHN C=CCC[C@@H](C(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000452979512 331082533 /nfs/dbraw/zinc/08/25/33/331082533.db2.gz TZOHMIHYZHYYEO-KURKYZTESA-N 0 3 298.430 2.899 20 30 CFEDHN C=C(C)CCN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000453331063 331117642 /nfs/dbraw/zinc/11/76/42/331117642.db2.gz ZGZMECRWPYFDHT-LBPRGKRZSA-N 0 3 297.420 2.716 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](COC)c1ccc(Cl)cc1 ZINC000453349738 331120489 /nfs/dbraw/zinc/12/04/89/331120489.db2.gz ILEHWNONZNGLOO-KFWWJZLASA-N 0 3 281.783 2.961 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000453356703 331121693 /nfs/dbraw/zinc/12/16/93/331121693.db2.gz NEMVTGLHVUOCRO-PWSUYJOCSA-N 0 3 284.787 2.721 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000453366680 331123480 /nfs/dbraw/zinc/12/34/80/331123480.db2.gz SGMNLOBDHYNFIH-NWDGAFQWSA-N 0 3 297.370 2.821 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1sc(CC)nc1C ZINC000453369242 331123769 /nfs/dbraw/zinc/12/37/69/331123769.db2.gz SVZQDDDRENLOLH-JQWIXIFHSA-N 0 3 268.426 2.992 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1sc(CCOC)nc1C ZINC000453371478 331124061 /nfs/dbraw/zinc/12/40/61/331124061.db2.gz URMCKUFBTOYVHN-RTXFEEFZSA-N 0 3 296.436 2.635 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453373982 331124515 /nfs/dbraw/zinc/12/45/15/331124515.db2.gz WJLIGNBZYJVPQW-MAZHCROVSA-N 0 3 275.396 2.992 20 30 CFEDHN C=CCC[C@@H](NC[C@@]1(C)CCC(=O)N1)c1ccco1 ZINC000453408546 331129584 /nfs/dbraw/zinc/12/95/84/331129584.db2.gz GYXPKGCFYWZMHM-IUODEOHRSA-N 0 3 262.353 2.545 20 30 CFEDHN C=CCC[C@H](C)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453451665 331132410 /nfs/dbraw/zinc/13/24/10/331132410.db2.gz ROHWGGLGVKCNCH-AAEUAGOBSA-N 0 3 261.369 2.661 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000454480985 331147111 /nfs/dbraw/zinc/14/71/11/331147111.db2.gz MVSLEJQHEBSTKZ-OKILXGFUSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2CC(C(C)(C)C)C2)CC1 ZINC000454532435 331148199 /nfs/dbraw/zinc/14/81/99/331148199.db2.gz CHGGOEIPRVRGKX-UHFFFAOYSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000454646770 331150440 /nfs/dbraw/zinc/15/04/40/331150440.db2.gz QPBWKYHMRNWWEW-UONOGXRCSA-N 0 3 281.444 2.618 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CF)CC1 ZINC000456090989 331184088 /nfs/dbraw/zinc/18/40/88/331184088.db2.gz SBFUFGYPRJPRMR-INIZCTEOSA-N 0 3 288.366 2.967 20 30 CFEDHN Cc1ccncc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456155777 331185865 /nfs/dbraw/zinc/18/58/65/331185865.db2.gz DXDYTEHSNWKZJD-MRXNPFEDSA-N 0 3 293.370 2.779 20 30 CFEDHN C=CCOCC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456700242 331198931 /nfs/dbraw/zinc/19/89/31/331198931.db2.gz TYVCBVJILKCUMH-UHFFFAOYSA-N 0 3 296.455 2.548 20 30 CFEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccco2)cc1 ZINC000457006546 331210097 /nfs/dbraw/zinc/21/00/97/331210097.db2.gz QIUJOHMLARCHFA-ABAIWWIYSA-N 0 3 284.315 2.653 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1CCCC1(C)C ZINC000457057923 331211099 /nfs/dbraw/zinc/21/10/99/331211099.db2.gz OZBXWOFBTNFUAS-OAHLLOKOSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCC(=O)N1CCC[C@H](N)[C@@H]1c1ccccc1OC ZINC000457367656 331220049 /nfs/dbraw/zinc/22/00/49/331220049.db2.gz XAOOXHFNNPJCFF-YOEHRIQHSA-N 0 3 288.391 2.652 20 30 CFEDHN C=CC(C)(C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458267960 331246781 /nfs/dbraw/zinc/24/67/81/331246781.db2.gz DZUQDPBJBCQGJU-UHFFFAOYSA-N 0 3 294.370 2.917 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458623275 331254409 /nfs/dbraw/zinc/25/44/09/331254409.db2.gz QKBGDGNSMNZQTA-CABCVRRESA-N 0 3 281.444 2.855 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458811575 331260837 /nfs/dbraw/zinc/26/08/37/331260837.db2.gz PBJRVZIWVMFWLU-AWEZNQCLSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000458993498 331265050 /nfs/dbraw/zinc/26/50/50/331265050.db2.gz XSGKXHLPHOMIOR-RBSFLKMASA-N 0 3 293.455 2.570 20 30 CFEDHN C=CCC1(NC(=O)NC[C@H](C)N(C)C)CCCCC1 ZINC000459060564 331268793 /nfs/dbraw/zinc/26/87/93/331268793.db2.gz OHJUIYPCNGLHSX-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN CN(C)CC(C)(C)NCC#Cc1cccc(Cl)c1 ZINC000459542654 331286860 /nfs/dbraw/zinc/28/68/60/331286860.db2.gz BCZLGEITBUALSF-UHFFFAOYSA-N 0 3 264.800 2.621 20 30 CFEDHN C=CCOc1cccc(CN2CC3(C2)CCOCC3)c1 ZINC000459617146 331290709 /nfs/dbraw/zinc/29/07/09/331290709.db2.gz JHGMBSVMRHTPRO-UHFFFAOYSA-N 0 3 273.376 2.864 20 30 CFEDHN Cc1nn(-c2ccccn2)c(C)c1CNCC(C)(C)CC#N ZINC000459684376 331294334 /nfs/dbraw/zinc/29/43/34/331294334.db2.gz CHNISIVLFJCYKP-UHFFFAOYSA-N 0 3 297.406 2.914 20 30 CFEDHN CC(=O)Nc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459686545 331294447 /nfs/dbraw/zinc/29/44/47/331294447.db2.gz FUKBAAFXQRZRFE-UHFFFAOYSA-N 0 3 259.353 2.674 20 30 CFEDHN C=CCOc1cccc(CNC2(CO)CCSCC2)c1 ZINC000459724073 331295902 /nfs/dbraw/zinc/29/59/02/331295902.db2.gz JMMSHKZOYHBGFW-UHFFFAOYSA-N 0 3 293.432 2.599 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2CC)cc1 ZINC000459748886 331298106 /nfs/dbraw/zinc/29/81/06/331298106.db2.gz XPTNFMUMSTXATN-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN CC#CCCNCc1cccc(OC)c1OC(F)F ZINC000166298650 331306984 /nfs/dbraw/zinc/30/69/84/331306984.db2.gz BVZJVVYPNVFGFO-UHFFFAOYSA-N 0 3 269.291 2.800 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000466377902 331393984 /nfs/dbraw/zinc/39/39/84/331393984.db2.gz IGIGDSFSBWNFMV-AWEZNQCLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCCCCN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000471868936 331522854 /nfs/dbraw/zinc/52/28/54/331522854.db2.gz FAJKYWMJKOMHTH-AWEZNQCLSA-N 0 3 280.799 2.682 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000488473887 332012446 /nfs/dbraw/zinc/01/24/46/332012446.db2.gz AIYZLCJKFKHSQD-HUUCEWRRSA-N 0 3 289.423 2.524 20 30 CFEDHN C[C@H]1[C@@H](CO)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000488753743 332024102 /nfs/dbraw/zinc/02/41/02/332024102.db2.gz NNSQZUNWIBTZSB-GXTWGEPZSA-N 0 3 297.320 2.760 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000488871684 332030693 /nfs/dbraw/zinc/03/06/93/332030693.db2.gz QZRFFYXIHYMXIK-INIZCTEOSA-N 0 3 272.392 2.929 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(F)cc1 ZINC000489493952 332056240 /nfs/dbraw/zinc/05/62/40/332056240.db2.gz IKNYGSHQQCMKKJ-HUUCEWRRSA-N 0 3 279.355 2.606 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCCCCC)CC1 ZINC000490574266 332092700 /nfs/dbraw/zinc/09/27/00/332092700.db2.gz MPRCSHYDQVCFMW-HNNXBMFYSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCN(CCCc1nc(C)no1)[C@H]1CCc2ccccc21 ZINC000490867109 332122421 /nfs/dbraw/zinc/12/24/21/332122421.db2.gz ZXRYCICEWIYCRK-KRWDZBQOSA-N 0 3 295.386 2.933 20 30 CFEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000491228937 332169874 /nfs/dbraw/zinc/16/98/74/332169874.db2.gz DHVKJBFRLQFFPJ-KBPBESRZSA-N 0 3 258.365 2.714 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000491241107 332172335 /nfs/dbraw/zinc/17/23/35/332172335.db2.gz GXDQGAORNJJSOE-INMHGKMJSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN(C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000491298574 332184847 /nfs/dbraw/zinc/18/48/47/332184847.db2.gz VYFVWYVMBACHPH-UHFFFAOYSA-N 0 3 284.281 2.599 20 30 CFEDHN C#CCN(CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1 ZINC000491620406 332246315 /nfs/dbraw/zinc/24/63/15/332246315.db2.gz CEMVNSITXNFYTE-INIZCTEOSA-N 0 3 284.403 2.523 20 30 CFEDHN C#C[C@H](C)N(C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000491632788 332254691 /nfs/dbraw/zinc/25/46/91/332254691.db2.gz SRNUUNOTUMADNF-SUIFULHWSA-N 0 3 258.321 2.952 20 30 CFEDHN C#C[C@H](NCc1c(C)nc2ccccn21)C(C)(C)C ZINC000491659707 332270239 /nfs/dbraw/zinc/27/02/39/332270239.db2.gz ISBKYXUMYLYYDV-AWEZNQCLSA-N 0 3 255.365 2.780 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000491664443 332273315 /nfs/dbraw/zinc/27/33/15/332273315.db2.gz IZZBOXBHJGMBFB-NSHDSACASA-N 0 3 298.308 2.988 20 30 CFEDHN C#C[C@H](NC1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000491672766 332279327 /nfs/dbraw/zinc/27/93/27/332279327.db2.gz HWSCIXMWBPSRIJ-HNNXBMFYSA-N 0 3 262.784 2.698 20 30 CFEDHN C#C[C@H](NC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 ZINC000491691712 332288277 /nfs/dbraw/zinc/28/82/77/332288277.db2.gz HBYSZRXHFGLQFB-INIZCTEOSA-N 0 3 290.794 2.615 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc(F)cn1)C1CCCCC1 ZINC000491700635 332295350 /nfs/dbraw/zinc/29/53/50/332295350.db2.gz DQIZUTPWQIJADG-MRXNPFEDSA-N 0 3 276.355 2.522 20 30 CFEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000491708348 332300692 /nfs/dbraw/zinc/30/06/92/332300692.db2.gz ZQLKCVPTQJBWCQ-UKRRQHHQSA-N 0 3 272.392 2.968 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000491757028 332330025 /nfs/dbraw/zinc/33/00/25/332330025.db2.gz BOGKZJHYCSOAEJ-QWHCGFSZSA-N 0 3 298.361 2.767 20 30 CFEDHN C#C[C@H](NCc1cccc(-n2cccn2)c1)C(C)C ZINC000491781749 332345822 /nfs/dbraw/zinc/34/58/22/332345822.db2.gz HCQCCHPOESJUBX-INIZCTEOSA-N 0 3 253.349 2.620 20 30 CFEDHN C#CCN(CC)Cc1ccccc1-c1ccnn1C ZINC000491815916 332366893 /nfs/dbraw/zinc/36/68/93/332366893.db2.gz GGVQSGUBJZJNNT-UHFFFAOYSA-N 0 3 253.349 2.542 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccncc2C)CC1 ZINC000493254687 332432570 /nfs/dbraw/zinc/43/25/70/332432570.db2.gz JGQMAENCIUJKKZ-PLNGDYQASA-N 0 3 299.418 2.560 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000501210334 332628596 /nfs/dbraw/zinc/62/85/96/332628596.db2.gz RROAUVNPOQGSMK-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CCC)C2)CC1 ZINC000176598396 333044055 /nfs/dbraw/zinc/04/40/55/333044055.db2.gz WAYXOZNZAQCLIX-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)c(CC)o2)CC1 ZINC000177551458 333060340 /nfs/dbraw/zinc/06/03/40/333060340.db2.gz STRHXJWUINTSON-UHFFFAOYSA-N 0 3 276.380 2.531 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000185940936 333152107 /nfs/dbraw/zinc/15/21/07/333152107.db2.gz XOZIIUFCEWYXBU-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2nccc3sccc32)CC1 ZINC000186077857 333154494 /nfs/dbraw/zinc/15/44/94/333154494.db2.gz ZQSWXVMCSFXRCD-UHFFFAOYSA-N 0 3 299.399 2.580 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1OC ZINC000189328733 333190391 /nfs/dbraw/zinc/19/03/91/333190391.db2.gz GNUHCGSRNSPPTB-CVEARBPZSA-N 0 3 291.391 2.509 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN([C@H](C)CCC#N)C1 ZINC000575848661 335123075 /nfs/dbraw/zinc/12/30/75/335123075.db2.gz BCSUXBRSKXYHQV-BXUZGUMPSA-N 0 3 277.368 2.575 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CC[C@H](O)C1 ZINC000236577779 333373857 /nfs/dbraw/zinc/37/38/57/333373857.db2.gz FUWQQLCDPMSWCH-ZFWWWQNUSA-N 0 3 261.365 2.502 20 30 CFEDHN COc1ccccc1[C@H](CO)NCCCC(C)(C)C#N ZINC000541980684 333804929 /nfs/dbraw/zinc/80/49/29/333804929.db2.gz JQWPJAJBDDUQNF-AWEZNQCLSA-N 0 3 276.380 2.648 20 30 CFEDHN C=CC1CCN([C@@H](CC(C)C)C(=O)OCC)CC1 ZINC000542928727 333849905 /nfs/dbraw/zinc/84/99/05/333849905.db2.gz UCQNYKFYIMHZDU-AWEZNQCLSA-N 0 3 253.386 2.862 20 30 CFEDHN CC#CCCN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000545904406 334005386 /nfs/dbraw/zinc/00/53/86/334005386.db2.gz IHJLGVFEYDOSDP-AWEZNQCLSA-N 0 3 265.397 2.844 20 30 CFEDHN C=CCCCCNCc1cnc(N2CCCC2)nc1 ZINC000546022151 334013125 /nfs/dbraw/zinc/01/31/25/334013125.db2.gz COACXKVKKXRZLQ-UHFFFAOYSA-N 0 3 260.385 2.523 20 30 CFEDHN CC[C@H](Cc1ccc(OC)c(OC)c1)NC[C@@H](C)C#N ZINC000133038640 334014115 /nfs/dbraw/zinc/01/41/15/334014115.db2.gz VXIBHROOAWQLGQ-GXTWGEPZSA-N 0 3 276.380 2.774 20 30 CFEDHN Cc1nn(C(C)C)cc1CN1CCC(CC#N)CC1 ZINC000546691050 334045930 /nfs/dbraw/zinc/04/59/30/334045930.db2.gz JNLWIMBKAKLMNG-UHFFFAOYSA-N 0 3 260.385 2.898 20 30 CFEDHN C[C@@H](C#N)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133814884 334059679 /nfs/dbraw/zinc/05/96/79/334059679.db2.gz IKEZRFCHZIMQNC-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN CC#CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000547329905 334079807 /nfs/dbraw/zinc/07/98/07/334079807.db2.gz FJFZHGMOMGTKJV-UHFFFAOYSA-N 0 3 268.404 2.784 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000076385445 334080281 /nfs/dbraw/zinc/08/02/81/334080281.db2.gz IXYJTLKAKMWHQW-HRCADAONSA-N 0 3 286.419 2.864 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000134292289 334087147 /nfs/dbraw/zinc/08/71/47/334087147.db2.gz JUOLPWKQPLZMJD-HOCLYGCPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCc1cc(CNCCOCC(=C)C)cc(OC)c1O ZINC000134500573 334092379 /nfs/dbraw/zinc/09/23/79/334092379.db2.gz QKKMFHPJJPPITR-UHFFFAOYSA-N 0 3 291.391 2.812 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134621052 334097879 /nfs/dbraw/zinc/09/78/79/334097879.db2.gz LVVWQUVSCCGVMZ-OLZOCXBDSA-N 0 3 268.401 2.940 20 30 CFEDHN COC(=O)CCN(CC#Cc1ccccc1Cl)C(C)C ZINC000135076888 334114597 /nfs/dbraw/zinc/11/45/97/334114597.db2.gz DYZYCOPCVJBFEH-UHFFFAOYSA-N 0 3 293.794 2.965 20 30 CFEDHN COCCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548798861 334174760 /nfs/dbraw/zinc/17/47/60/334174760.db2.gz LSECNYVHNQOKAO-UHFFFAOYSA-N 0 3 287.407 2.755 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3[nH]ccc32)CC1 ZINC000081687338 334203646 /nfs/dbraw/zinc/20/36/46/334203646.db2.gz NZNQVIWSPVNHHU-UHFFFAOYSA-N 0 3 283.375 2.548 20 30 CFEDHN CC1(CNC[C@@H](C#N)CCC#N)Cc2ccccc2C1 ZINC000552116552 334291120 /nfs/dbraw/zinc/29/11/20/334291120.db2.gz AMAOJOCKZQRXLW-CQSZACIVSA-N 0 3 267.376 2.825 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248454015 334302565 /nfs/dbraw/zinc/30/25/65/334302565.db2.gz ZFMBOTVIGZKXLH-WBTNSWJXSA-N 0 3 291.439 2.551 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@H]1O ZINC000249547183 334336208 /nfs/dbraw/zinc/33/62/08/334336208.db2.gz GNNZQUVRPDMQAI-CZUORRHYSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000564704540 334517235 /nfs/dbraw/zinc/51/72/35/334517235.db2.gz PDTJXEDCQPYYMO-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN CC(C)(CC#N)CNC[C@@H](O)COc1ccc(Cl)cc1 ZINC000564860258 334524459 /nfs/dbraw/zinc/52/44/59/334524459.db2.gz PNTYOBOCUSPVAK-CYBMUJFWSA-N 0 3 296.798 2.609 20 30 CFEDHN N#CCCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000566174727 334631876 /nfs/dbraw/zinc/63/18/76/334631876.db2.gz WBBRDPWUCNFRIL-UHFFFAOYSA-N 0 3 268.364 2.850 20 30 CFEDHN C=CCCCCCNCc1cc(C(=O)OC)co1 ZINC000568253709 334808801 /nfs/dbraw/zinc/80/88/01/334808801.db2.gz XZTIJYMCFRHWFM-UHFFFAOYSA-N 0 3 251.326 2.902 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)C[C@@H]1CCCCO1 ZINC000342766704 335186385 /nfs/dbraw/zinc/18/63/85/335186385.db2.gz WNWBFBMHHCMCPX-INIZCTEOSA-N 0 3 258.365 2.754 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C)[C@H]2C)CC1 ZINC000176497609 335288999 /nfs/dbraw/zinc/28/89/99/335288999.db2.gz MGYFVNACCAMHAT-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN O[C@@H](CCc1ccccc1)CNCC#Cc1cccc(F)c1 ZINC000577385609 335346373 /nfs/dbraw/zinc/34/63/73/335346373.db2.gz NQYMYVZUAJFSSC-IBGZPJMESA-N 0 3 297.373 2.761 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC(C(C)C)C(C)C)C1=O ZINC000577541248 335366698 /nfs/dbraw/zinc/36/66/98/335366698.db2.gz RNNQVJBOQQWCLB-OAHLLOKOSA-N 0 3 266.429 2.633 20 30 CFEDHN C=CCCCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000577623501 335380870 /nfs/dbraw/zinc/38/08/70/335380870.db2.gz RBTQLMOYRYEGQQ-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN N#CCCC1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000578527916 335645920 /nfs/dbraw/zinc/64/59/20/335645920.db2.gz UCZNWWCNSMVTBW-HNNXBMFYSA-N 0 3 266.385 2.545 20 30 CFEDHN N#CC1(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)CCC1 ZINC000578970395 335694027 /nfs/dbraw/zinc/69/40/27/335694027.db2.gz SWIGCFYIKXKQLL-LBPRGKRZSA-N 0 3 265.360 2.919 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000368567274 335941774 /nfs/dbraw/zinc/94/17/74/335941774.db2.gz RZDUHAHQHFELAL-SFHVURJKSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001085573962 782107008 /nfs/dbraw/zinc/10/70/08/782107008.db2.gz KJQCSAGXRVQPHW-CYBMUJFWSA-N 0 3 276.380 2.564 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1csnc1C ZINC001085553992 782097437 /nfs/dbraw/zinc/09/74/37/782097437.db2.gz GUNLURSWJLXUFH-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085564475 782099947 /nfs/dbraw/zinc/09/99/47/782099947.db2.gz NJRQZZMUUYZZGO-OAHLLOKOSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn2ccccc12 ZINC001085716658 782143197 /nfs/dbraw/zinc/14/31/97/782143197.db2.gz QJWBZEITDDXOLA-OAHLLOKOSA-N 0 3 297.402 2.662 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735426 782148091 /nfs/dbraw/zinc/14/80/91/782148091.db2.gz HFWQZCVZUSAFSC-HLLBOEOZSA-N 0 3 276.424 2.676 20 30 CFEDHN CC1(C)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000174256558 520378137 /nfs/dbraw/zinc/37/81/37/520378137.db2.gz GFJMMJNFTZQNPU-UHFFFAOYSA-N 0 3 277.393 2.680 20 30 CFEDHN COc1cc(CNCCSC(C)C)ccc1C#N ZINC000310974425 522452434 /nfs/dbraw/zinc/45/24/34/522452434.db2.gz WLJJUAPLNUNJRC-UHFFFAOYSA-N 0 3 264.394 2.798 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773428 782157819 /nfs/dbraw/zinc/15/78/19/782157819.db2.gz COUPFTPRTCFISW-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001085775495 782157916 /nfs/dbraw/zinc/15/79/16/782157916.db2.gz WQWWFLZVZQVNBG-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000052158076 518604485 /nfs/dbraw/zinc/60/44/85/518604485.db2.gz UUKUPMSVQRKBCQ-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN CC(C)N1CCC(N(C)C(=O)c2cscc2C#N)CC1 ZINC000336135520 519669717 /nfs/dbraw/zinc/66/97/17/519669717.db2.gz INWDZHBUXQNCRL-UHFFFAOYSA-N 0 3 291.420 2.565 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NCc1ccc(C#N)cc1F ZINC000049555976 519775985 /nfs/dbraw/zinc/77/59/85/519775985.db2.gz IFDUPEUJZRURSI-HNNXBMFYSA-N 0 3 277.387 2.763 20 30 CFEDHN CC(C)[C@@H](O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305794329 519800652 /nfs/dbraw/zinc/80/06/52/519800652.db2.gz DQDVSUWXIRQQQS-NHYWBVRUSA-N 0 3 264.344 2.755 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785331 782162151 /nfs/dbraw/zinc/16/21/51/782162151.db2.gz OFKDQYDZOBDWLF-CQSZACIVSA-N 0 3 288.391 2.879 20 30 CFEDHN CC(C)[C@H](O)C(C)(C)CNCc1cc(C#N)cs1 ZINC000305247483 519822433 /nfs/dbraw/zinc/82/24/33/519822433.db2.gz FKCRNJHSTMNXAL-ZDUSSCGKSA-N 0 3 266.410 2.752 20 30 CFEDHN Cc1ccc2cc(C(=O)C(C#N)c3ccncn3)ccc2n1 ZINC000354472738 534466198 /nfs/dbraw/zinc/46/61/98/534466198.db2.gz VAJGNAOCPZOIRU-CQSZACIVSA-N 0 3 288.310 2.823 20 30 CFEDHN CC(C)n1ncc2c1C[C@H](NCc1ccc(C#N)o1)CC2 ZINC000365129476 520075805 /nfs/dbraw/zinc/07/58/05/520075805.db2.gz ADSBZZNIXCDWTB-CYBMUJFWSA-N 0 3 284.363 2.576 20 30 CFEDHN CC1=C(C)CN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000361620983 520836392 /nfs/dbraw/zinc/83/63/92/520836392.db2.gz SVZCLMAQJPJWST-UHFFFAOYSA-N 0 3 289.404 2.990 20 30 CFEDHN CCC1(CC)[C@H](N(C)Cc2cc(C#N)n(C)c2)C[C@@H]1OC ZINC000191447112 521695404 /nfs/dbraw/zinc/69/54/04/521695404.db2.gz JTCYXXXAQNJISR-CVEARBPZSA-N 0 3 289.423 2.922 20 30 CFEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1cccc(C#N)c1 ZINC000080848239 521985592 /nfs/dbraw/zinc/98/55/92/521985592.db2.gz CQSMGIKIEJGAPJ-CYBMUJFWSA-N 0 3 273.380 2.865 20 30 CFEDHN CCc1nc(C2CCN(Cc3ccccc3C#N)CC2)n[nH]1 ZINC000191689894 522250867 /nfs/dbraw/zinc/25/08/67/522250867.db2.gz XHHBIMTZQOXWIQ-UHFFFAOYSA-N 0 3 295.390 2.618 20 30 CFEDHN CCc1n[nH]c(C2CCN(Cc3ccccc3C#N)CC2)n1 ZINC000191689894 522250872 /nfs/dbraw/zinc/25/08/72/522250872.db2.gz XHHBIMTZQOXWIQ-UHFFFAOYSA-N 0 3 295.390 2.618 20 30 CFEDHN CCc1nnc(C2CCN(Cc3ccccc3C#N)CC2)[nH]1 ZINC000191689894 522250882 /nfs/dbraw/zinc/25/08/82/522250882.db2.gz XHHBIMTZQOXWIQ-UHFFFAOYSA-N 0 3 295.390 2.618 20 30 CFEDHN COc1cc(CNC[C@@H]2Cc3ccccc3O2)ccc1C#N ZINC000318807443 522459232 /nfs/dbraw/zinc/45/92/32/522459232.db2.gz IFUIWHDOUQGAEB-INIZCTEOSA-N 0 3 294.354 2.660 20 30 CFEDHN COc1cc(CNC[C@H]2CCCS2)ccc1C#N ZINC000234921445 522462410 /nfs/dbraw/zinc/46/24/10/522462410.db2.gz IJIJZJFTICRZON-CYBMUJFWSA-N 0 3 262.378 2.552 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000192179509 522642289 /nfs/dbraw/zinc/64/22/89/522642289.db2.gz SALHSQRHARNSMX-LSDHHAIUSA-N 0 3 262.328 2.745 20 30 CFEDHN CN(CCc1ccccn1)Cc1ccc(C#N)c(F)c1 ZINC000192132976 522967267 /nfs/dbraw/zinc/96/72/67/522967267.db2.gz BLJAYIUQXAUWBV-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN CN1CCC[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078836026 523839914 /nfs/dbraw/zinc/83/99/14/523839914.db2.gz CIXWZBXYUBFVRI-SNVBAGLBSA-N 0 3 298.312 2.726 20 30 CFEDHN N#CC(C(=O)c1cnc2ccc(F)cc2c1)c1ccncn1 ZINC000354466275 534740632 /nfs/dbraw/zinc/74/06/32/534740632.db2.gz MQDZSUGAXQATMJ-ZDUSSCGKSA-N 0 3 292.273 2.654 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000055066340 523956471 /nfs/dbraw/zinc/95/64/71/523956471.db2.gz DVHAHXNHGLIYKN-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN CO[C@H]1CCN(Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000336423520 523996224 /nfs/dbraw/zinc/99/62/24/523996224.db2.gz RIZWOGLPXJINCN-JQWIXIFHSA-N 0 3 250.367 2.619 20 30 CFEDHN COc1ccc(CN2CC3CCC2CC3)cc1C#N ZINC000311585106 524023286 /nfs/dbraw/zinc/02/32/86/524023286.db2.gz PLLRMRAWRSBIJQ-UHFFFAOYSA-N 0 3 256.349 2.941 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cnc3ccc(Cl)cn23)C1 ZINC000335286660 534755508 /nfs/dbraw/zinc/75/55/08/534755508.db2.gz ZLGBTIGUSRKGMC-CMPLNLGQSA-N 0 3 274.755 2.770 20 30 CFEDHN CN(C)CCN(C(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000063829567 524059399 /nfs/dbraw/zinc/05/93/99/524059399.db2.gz DKMCJRDQEIJWLK-UHFFFAOYSA-N 0 3 293.370 2.767 20 30 CFEDHN C[C@@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245525116 524262453 /nfs/dbraw/zinc/26/24/53/524262453.db2.gz ODUWDIHMTVHUHJ-CJNGLKHVSA-N 0 3 283.375 2.538 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NCc1cc(C#N)cs1 ZINC000187565350 524610299 /nfs/dbraw/zinc/61/02/99/524610299.db2.gz RONMNTWKIPTLNN-ZDUSSCGKSA-N 0 3 277.437 2.974 20 30 CFEDHN Cc1cc(CN[C@@H]2CCCC(F)(F)[C@H]2O)ccc1C#N ZINC000334844492 524768979 /nfs/dbraw/zinc/76/89/79/524768979.db2.gz SMBHUOKMDLJOFF-KGLIPLIRSA-N 0 3 280.318 2.505 20 30 CFEDHN C[C@@H]1C[C@@H](CCNCc2ccc(C#N)o2)C[C@H](C)O1 ZINC000338475266 525235351 /nfs/dbraw/zinc/23/53/51/525235351.db2.gz VJGASJNORHBIKD-CLLJXQQHSA-N 0 3 262.353 2.835 20 30 CFEDHN C[C@H](NC[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305802367 525386058 /nfs/dbraw/zinc/38/60/58/525386058.db2.gz DZKXUKXYZMCFCD-RBOXIYTFSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H]1COc2ccccc21 ZINC000169148386 525435039 /nfs/dbraw/zinc/43/50/39/525435039.db2.gz FKZBXTTTWABVDP-NHYWBVRUSA-N 0 3 268.316 2.806 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)[C@@H](O)Cc1ccccc1 ZINC000305182010 525534190 /nfs/dbraw/zinc/53/41/90/525534190.db2.gz HSZNICOZCKJMSX-KDOFPFPSSA-N 0 3 280.371 2.640 20 30 CFEDHN C[C@H](N[C@H]1CCCOCC1)c1ccc(C#N)cc1F ZINC000336252219 525606610 /nfs/dbraw/zinc/60/66/10/525606610.db2.gz ICDXUAXSYIGANR-AAEUAGOBSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCOCC2(CC2)C1 ZINC000336331823 526074189 /nfs/dbraw/zinc/07/41/89/526074189.db2.gz XPPDAJZLZAAQIL-CYBMUJFWSA-N 0 3 256.349 2.732 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000335990151 526431478 /nfs/dbraw/zinc/43/14/78/526431478.db2.gz LSBKKWXVDAOTIW-AWEZNQCLSA-N 0 3 293.455 2.714 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1F ZINC000300469853 526547898 /nfs/dbraw/zinc/54/78/98/526547898.db2.gz SWJVZWVZIMKKEY-USXIJHARSA-N 0 3 288.366 2.823 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC2(C)C)CC1 ZINC000344765842 526592664 /nfs/dbraw/zinc/59/26/64/526592664.db2.gz PQZWPLZPQXYIHF-CQSZACIVSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(C)COc1cc(CNC[C@H](O)C(C)C)ccc1OC ZINC000116349521 526661955 /nfs/dbraw/zinc/66/19/55/526661955.db2.gz QOTULVKDXUHUGG-HNNXBMFYSA-N 0 3 293.407 2.757 20 30 CFEDHN N#Cc1cccc(CNC[C@@H](O)C2CCCCC2)c1 ZINC000069170632 526707668 /nfs/dbraw/zinc/70/76/68/526707668.db2.gz FJIPAWSXPMECCM-MRXNPFEDSA-N 0 3 258.365 2.589 20 30 CFEDHN N#Cc1cccc(CN[C@H]2COc3ccccc3C2)c1 ZINC000195252064 526709619 /nfs/dbraw/zinc/70/96/19/526709619.db2.gz AKOLKUXLQAMRFV-MRXNPFEDSA-N 0 3 264.328 2.652 20 30 CFEDHN Cc1nsc(N[C@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000360961819 526715981 /nfs/dbraw/zinc/71/59/81/526715981.db2.gz VGBCGVXEHSNFGO-GHMZBOCLSA-N 0 3 278.425 2.856 20 30 CFEDHN CC(C)(C)[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347062304 526720521 /nfs/dbraw/zinc/72/05/21/526720521.db2.gz VJWHYFMRWHDZIN-AWEZNQCLSA-N 0 3 291.439 2.697 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC(c2cn[nH]c2)CC1 ZINC000364722613 526747304 /nfs/dbraw/zinc/74/73/04/526747304.db2.gz PEVIYESYAUPEDL-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN C=CCOCCCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000351934122 526760074 /nfs/dbraw/zinc/76/00/74/526760074.db2.gz GOIPWZKSRNJEGO-AWEZNQCLSA-N 0 3 269.772 2.556 20 30 CFEDHN C=CCOc1ccc(CNC[C@](C)(O)CC)cc1OC ZINC000111384325 526885839 /nfs/dbraw/zinc/88/58/39/526885839.db2.gz KJQWUWZQTGDKFD-MRXNPFEDSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(C2CCC2)CC1 ZINC000353464969 526931845 /nfs/dbraw/zinc/93/18/45/526931845.db2.gz RUTOAPGYTSQSQR-UHFFFAOYSA-N 0 3 286.419 2.922 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000348184683 526983558 /nfs/dbraw/zinc/98/35/58/526983558.db2.gz LMGRCDHWRKYJTH-NPCAHTBFSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000353274839 527124688 /nfs/dbraw/zinc/12/46/88/527124688.db2.gz PRPZQQNWKGVVPC-CQSZACIVSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000351904207 527130216 /nfs/dbraw/zinc/13/02/16/527130216.db2.gz NVYODJMZDLWTEQ-CQSZACIVSA-N 0 3 297.443 2.535 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000347627807 527152333 /nfs/dbraw/zinc/15/23/33/527152333.db2.gz VFTWMFRSLACFFQ-KFWWJZLASA-N 0 3 281.444 2.761 20 30 CFEDHN CC(C)(CNCc1cccc(C#N)c1)OCC1CC1 ZINC000414513119 527171075 /nfs/dbraw/zinc/17/10/75/527171075.db2.gz FEABBMFPBBYQQS-UHFFFAOYSA-N 0 3 258.365 2.853 20 30 CFEDHN Cn1cc(CN2CCC[C@H](c3nccs3)C2)cc1C#N ZINC000191300383 527202384 /nfs/dbraw/zinc/20/23/84/527202384.db2.gz KIJPQUDKMATYHB-ZDUSSCGKSA-N 0 3 286.404 2.733 20 30 CFEDHN Cn1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1C#N ZINC000365129795 527219946 /nfs/dbraw/zinc/21/99/46/527219946.db2.gz CXKNKDKVCRAGHI-AEFFLSMTSA-N 0 3 295.386 2.764 20 30 CFEDHN Cn1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cc1C#N ZINC000365129798 527220184 /nfs/dbraw/zinc/22/01/84/527220184.db2.gz CXKNKDKVCRAGHI-WMZOPIPTSA-N 0 3 295.386 2.764 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000353573366 527443667 /nfs/dbraw/zinc/44/36/67/527443667.db2.gz HKLPZSSKSNDUSL-KOLCDFICSA-N 0 3 275.270 2.783 20 30 CFEDHN C=CCC[C@@H](NC1CCC(C(N)=O)CC1)c1ccco1 ZINC000353404830 527445782 /nfs/dbraw/zinc/44/57/82/527445782.db2.gz QOQMMAVBWAINOO-JXQTWKCFSA-N 0 3 276.380 2.921 20 30 CFEDHN CC(C)(C#N)CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000352215427 527454152 /nfs/dbraw/zinc/45/41/52/527454152.db2.gz DFRRHAGTOZLHQB-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN C=CCC[C@H](N[C@H](C)CCN1CCOCC1)c1ccco1 ZINC000353622343 527488113 /nfs/dbraw/zinc/48/81/13/527488113.db2.gz NYSCEHPOMGZGCG-CVEARBPZSA-N 0 3 292.423 2.987 20 30 CFEDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCCC#N ZINC000344805670 527528686 /nfs/dbraw/zinc/52/86/86/527528686.db2.gz FMJWFFHUFLFQAS-FMIVXFBMSA-N 0 3 259.309 2.891 20 30 CFEDHN C=C[C@H](CO)NC1CC(c2cccc(Cl)c2)C1 ZINC000353575436 527592526 /nfs/dbraw/zinc/59/25/26/527592526.db2.gz LSSDDXGNOSDWGQ-HRDQMINSSA-N 0 3 251.757 2.723 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1cc(C)nc(C)n1)C(C)C ZINC000352753535 527648728 /nfs/dbraw/zinc/64/87/28/527648728.db2.gz ADRKXFOUPBABSV-MRXNPFEDSA-N 0 3 288.439 2.626 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000331443941 527927463 /nfs/dbraw/zinc/92/74/63/527927463.db2.gz SRGLDBPRUWNFLW-VBQJREDUSA-N 0 3 291.439 2.551 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C(C)(C)C)C1 ZINC000344204406 527935841 /nfs/dbraw/zinc/93/58/41/527935841.db2.gz GYHKIFUIFNRMAZ-CPUCHLNUSA-N 0 3 293.455 2.797 20 30 CFEDHN COC[C@H]1CCCN(CCOc2ccccc2C#N)CC1 ZINC000452081375 536524178 /nfs/dbraw/zinc/52/41/78/536524178.db2.gz JSGUBSMILIBONG-HNNXBMFYSA-N 0 3 288.391 2.686 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085790879 782165650 /nfs/dbraw/zinc/16/56/50/782165650.db2.gz UQAFWNAPBAJUIM-MRXNPFEDSA-N 0 3 297.402 2.890 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000330104458 528217848 /nfs/dbraw/zinc/21/78/48/528217848.db2.gz GZBXMLSDUOMKHX-QWHCGFSZSA-N 0 3 276.384 2.618 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)NCCc1nc(C)oc1C ZINC000329129063 528227351 /nfs/dbraw/zinc/22/73/51/528227351.db2.gz VTCXASWMJFRPMK-AWEZNQCLSA-N 0 3 279.384 2.665 20 30 CFEDHN CCOC1CC(CN2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000367137008 528497456 /nfs/dbraw/zinc/49/74/56/528497456.db2.gz FJFVXIHOTBRQLE-UHFFFAOYSA-N 0 3 299.418 2.754 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352175785 528619479 /nfs/dbraw/zinc/61/94/79/528619479.db2.gz JAGFNDYCVMECJW-AWEZNQCLSA-N 0 3 291.439 2.507 20 30 CFEDHN CCCCOc1ccc(CNC(=O)C(C)C#N)cc1OC ZINC000347069060 528674600 /nfs/dbraw/zinc/67/46/00/528674600.db2.gz MVBWJRKVXUUZGT-LBPRGKRZSA-N 0 3 290.363 2.650 20 30 CFEDHN CC(C)[C@@H]1OCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000175064291 528829761 /nfs/dbraw/zinc/82/97/61/528829761.db2.gz LOQSDGBILWFVEL-WFASDCNBSA-N 0 3 262.353 2.692 20 30 CFEDHN CCN(Cc1ccccc1Br)C(=O)C(C)C#N ZINC000347076526 528831204 /nfs/dbraw/zinc/83/12/04/528831204.db2.gz SYBZXQMQDNYTRF-SNVBAGLBSA-N 0 3 295.180 2.957 20 30 CFEDHN CC1(C#N)CCC(NCc2cn3ccccc3n2)CC1 ZINC000336208098 528833633 /nfs/dbraw/zinc/83/36/33/528833633.db2.gz XOVRDPHXMDXMCJ-UHFFFAOYSA-N 0 3 268.364 2.896 20 30 CFEDHN CC(C)[C@H](C(=O)N[C@@H]1CCCNC1=O)N1CCCCC1 ZINC000329085709 528896313 /nfs/dbraw/zinc/89/63/13/528896313.db2.gz GLEODMKVFOPNPI-CHWSQXEVSA-N 0 3 281.400 2.572 20 30 CFEDHN CCC[C@@H](NCCCCC#N)c1nnc2ccccn21 ZINC000347616409 529006080 /nfs/dbraw/zinc/00/60/80/529006080.db2.gz LWQQNULTRZJQMU-CYBMUJFWSA-N 0 3 271.368 2.854 20 30 CFEDHN CCN1CCC[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329233290 529081828 /nfs/dbraw/zinc/08/18/28/529081828.db2.gz GUIYRWVTYUMVEF-STQMWFEESA-N 0 3 281.400 2.574 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)C(C)C ZINC000414520500 529182541 /nfs/dbraw/zinc/18/25/41/529182541.db2.gz DCMPFPKLTIRQGP-CABCVRRESA-N 0 3 264.344 2.582 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@H](C)c1cncnc1 ZINC000330344943 529271586 /nfs/dbraw/zinc/27/15/86/529271586.db2.gz DNYKZUZVAHTGNI-UKRRQHHQSA-N 0 3 290.411 2.801 20 30 CFEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000248893903 535493307 /nfs/dbraw/zinc/49/33/07/535493307.db2.gz HGNMEXLYJPHFPD-CHWSQXEVSA-N 0 3 273.380 2.863 20 30 CFEDHN CC[C@@H](N[C@@H](C)COCCOC)c1ccc(C#N)cc1 ZINC000447590002 535807971 /nfs/dbraw/zinc/80/79/71/535807971.db2.gz ZOQVYMSACSCGQP-XJKSGUPXSA-N 0 3 276.380 2.650 20 30 CFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCC1CC1 ZINC000265206490 535862073 /nfs/dbraw/zinc/86/20/73/535862073.db2.gz PHGAMXKMKNRKQY-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN CCc1cc(N2CCN(c3ccccc3C#N)CC2)ccn1 ZINC000450296951 536145975 /nfs/dbraw/zinc/14/59/75/536145975.db2.gz HDJWXTXNWLGAPM-UHFFFAOYSA-N 0 3 292.386 2.842 20 30 CFEDHN COc1cc(CN2CCC[C@H]3COCC[C@@H]32)ccc1C#N ZINC000442873934 536758465 /nfs/dbraw/zinc/75/84/65/536758465.db2.gz AIYOLLSLZADMKW-HOTGVXAUSA-N 0 3 286.375 2.568 20 30 CFEDHN COc1cc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)ccc1C#N ZINC000443064177 536766908 /nfs/dbraw/zinc/76/69/08/536766908.db2.gz FMCZVRKWKQTCRW-WOSRLPQWSA-N 0 3 288.391 2.548 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001085828116 782177017 /nfs/dbraw/zinc/17/70/17/782177017.db2.gz LPANXJDSDJASBV-QLFBSQMISA-N 0 3 264.413 2.531 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1Cl ZINC000744028212 574049685 /nfs/dbraw/zinc/04/96/85/574049685.db2.gz IGUMZLXMTASROA-TVRMLOFPSA-N 0 3 288.734 2.954 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1Cl ZINC000744028214 574049713 /nfs/dbraw/zinc/04/97/13/574049713.db2.gz IGUMZLXMTASROA-WSKFYRRCSA-N 0 3 288.734 2.954 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1Cl ZINC000744028211 574049831 /nfs/dbraw/zinc/04/98/31/574049831.db2.gz IGUMZLXMTASROA-SKVAFPRGSA-N 0 3 288.734 2.954 20 30 CFEDHN CN(C)CCOc1ccc(C=NOCc2cccnc2)cc1 ZINC000746576186 574052008 /nfs/dbraw/zinc/05/20/08/574052008.db2.gz HGXUARMSGYTCOF-UHFFFAOYSA-N 0 3 299.374 2.573 20 30 CFEDHN CCCCCCCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000727742579 574063409 /nfs/dbraw/zinc/06/34/09/574063409.db2.gz ZHCCQDZNNOXQBE-CYBMUJFWSA-N 0 3 254.418 2.946 20 30 CFEDHN CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)cn2)CS1 ZINC000754147183 574092032 /nfs/dbraw/zinc/09/20/32/574092032.db2.gz AGXNIPPSECDWIB-KBPBESRZSA-N 0 3 261.394 2.573 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cocn2)c([O-])c1 ZINC000730733350 574093823 /nfs/dbraw/zinc/09/38/23/574093823.db2.gz YDFJMBMUPIIJKP-PXNMLYILSA-N 0 3 273.336 2.846 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNCc2ccccc2CO)cc1 ZINC000728712205 574105868 /nfs/dbraw/zinc/10/58/68/574105868.db2.gz YNLHQFOBHGDHNQ-CQSZACIVSA-N 0 3 296.370 2.760 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)s1 ZINC000754667688 574112160 /nfs/dbraw/zinc/11/21/60/574112160.db2.gz AOVYFWVTWJKBEE-AAEUAGOBSA-N 0 3 293.436 2.715 20 30 CFEDHN C=CCc1cc(C[N@H+]2CC[C@H](COC)C2)c([O-])c(OC)c1 ZINC000754742107 574117842 /nfs/dbraw/zinc/11/78/42/574117842.db2.gz PTHOCWXQURHBIV-AWEZNQCLSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(C[N@@H+]2CC[C@H](COC)C2)c([O-])c(OC)c1 ZINC000754742107 574117843 /nfs/dbraw/zinc/11/78/43/574117843.db2.gz PTHOCWXQURHBIV-AWEZNQCLSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(CN2CCOC[C@@H](C)C2)c(O)c(OC)c1 ZINC000754747770 574117931 /nfs/dbraw/zinc/11/79/31/574117931.db2.gz BVKVDOAIVBHPKC-ZDUSSCGKSA-N 0 3 291.391 2.598 20 30 CFEDHN Cc1cc(CCNC(=O)C(C)C#N)c(C)n1-c1ccccc1 ZINC000746105766 574134171 /nfs/dbraw/zinc/13/41/71/574134171.db2.gz FOSVJCOCOXUDBL-CYBMUJFWSA-N 0 3 295.386 2.913 20 30 CFEDHN CCCCCCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000732158746 574144520 /nfs/dbraw/zinc/14/45/20/574144520.db2.gz CWINKOOSAHVJNG-OAHLLOKOSA-N 0 3 266.429 2.900 20 30 CFEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1C1OCCO1 ZINC000746666081 574161562 /nfs/dbraw/zinc/16/15/62/574161562.db2.gz IOJGWTGKWJVTEP-CYBMUJFWSA-N 0 3 266.385 2.544 20 30 CFEDHN CCN(CC)CC#C[C@@H](C)OC(=O)C1=C(C)CCC1 ZINC000747258499 574189248 /nfs/dbraw/zinc/18/92/48/574189248.db2.gz MBBHOLARXRKVTP-CQSZACIVSA-N 0 3 263.381 2.764 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)CC(C)(C)COC ZINC000756078741 574207718 /nfs/dbraw/zinc/20/77/18/574207718.db2.gz JGENHRGYXYGZIJ-UHFFFAOYSA-N 0 3 263.356 2.934 20 30 CFEDHN Cc1cc(N[C@H](CCC#N)c2ccccc2)nc(N)n1 ZINC000747843797 574215136 /nfs/dbraw/zinc/21/51/36/574215136.db2.gz RFXACBHWVRVPRR-CYBMUJFWSA-N 0 3 267.336 2.824 20 30 CFEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3s2)COC1 ZINC000756222414 574217735 /nfs/dbraw/zinc/21/77/35/574217735.db2.gz DAGDOIRHTAXKDQ-JTQLQIEISA-N 0 3 286.356 2.899 20 30 CFEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1C2CCC1CC2 ZINC000739839200 574225861 /nfs/dbraw/zinc/22/58/61/574225861.db2.gz ROGLTNGPXZAMQT-UHFFFAOYSA-N 0 3 293.374 2.710 20 30 CFEDHN C=CCN1CCC(NC(=S)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000729942536 574239548 /nfs/dbraw/zinc/23/95/48/574239548.db2.gz IOGRGLAUQDDGSN-DZGCQCFKSA-N 0 3 295.496 2.680 20 30 CFEDHN CCCCCCCC(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000729980602 574240851 /nfs/dbraw/zinc/24/08/51/574240851.db2.gz QIXFTSNMBHDJDW-OAHLLOKOSA-N 0 3 284.444 2.574 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000733887275 574262469 /nfs/dbraw/zinc/26/24/69/574262469.db2.gz VJWFLSJMFDFRIT-CQSZACIVSA-N 0 3 285.391 2.795 20 30 CFEDHN C#CCN(CCOc1ccc(OC)cc1)C1CCCC1 ZINC000756912482 574272794 /nfs/dbraw/zinc/27/27/94/574272794.db2.gz WVTPMELBUWXBPF-UHFFFAOYSA-N 0 3 273.376 2.952 20 30 CFEDHN N#Cc1cccc(CN[C@H](CCO)c2cccs2)c1 ZINC000740900539 574273669 /nfs/dbraw/zinc/27/36/69/574273669.db2.gz RFBREROFFXDOOR-CQSZACIVSA-N 0 3 272.373 2.833 20 30 CFEDHN C#CCNC(=O)CN(CCCC)[C@@H](CC)c1ccccc1 ZINC000734149914 574275053 /nfs/dbraw/zinc/27/50/53/574275053.db2.gz LTWMEWJYGHEFAL-KRWDZBQOSA-N 0 3 286.419 2.989 20 30 CFEDHN CCOc1ccc(/C=N\[C@@H]2CC[N@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741463437 574291613 /nfs/dbraw/zinc/29/16/13/574291613.db2.gz FQWIDYGFTUPFGL-NJPOPAGRSA-N 0 3 276.380 2.693 20 30 CFEDHN CCOc1ccc(/C=N\[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741463437 574291615 /nfs/dbraw/zinc/29/16/15/574291615.db2.gz FQWIDYGFTUPFGL-NJPOPAGRSA-N 0 3 276.380 2.693 20 30 CFEDHN C#CCN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000725797435 574309929 /nfs/dbraw/zinc/30/99/29/574309929.db2.gz CGUHSEAPJRMYBA-CABCVRRESA-N 0 3 292.423 2.874 20 30 CFEDHN CN(C)C(=S)NN=C1CCCC[C@@H]1N1CCCCCC1 ZINC000749815380 574310693 /nfs/dbraw/zinc/31/06/93/574310693.db2.gz NKGXQKHSEMEBEW-AWEZNQCLSA-N 0 3 296.484 2.597 20 30 CFEDHN Cc1cccn2c(CNCc3ccc(C#N)cc3)cnc12 ZINC000742367064 574324456 /nfs/dbraw/zinc/32/44/56/574324456.db2.gz IENACBVGWDVONA-UHFFFAOYSA-N 0 3 276.343 2.804 20 30 CFEDHN C=CCOc1ccc(CNCCOC2CCC2)cc1OC ZINC000742386868 574327247 /nfs/dbraw/zinc/32/72/47/574327247.db2.gz LGPHRNQIXHYSME-UHFFFAOYSA-N 0 3 291.391 2.919 20 30 CFEDHN C=C(Cl)CN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000750185984 574330143 /nfs/dbraw/zinc/33/01/43/574330143.db2.gz ZQIJZXFMBVXCEA-OAHLLOKOSA-N 0 3 264.800 2.945 20 30 CFEDHN CCCCCCN(C)CC(=O)N[C@H](C#N)CC(C)C ZINC000735653383 574332173 /nfs/dbraw/zinc/33/21/73/574332173.db2.gz FRZFZYHDQPFTEJ-AWEZNQCLSA-N 0 3 267.417 2.553 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOC(C)C)nc21 ZINC000735791648 574335611 /nfs/dbraw/zinc/33/56/11/574335611.db2.gz ASSFFHNZQRREJV-GFCCVEGCSA-N 0 3 285.347 2.863 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000750684495 574351092 /nfs/dbraw/zinc/35/10/92/574351092.db2.gz RIXDJCGJEBKOKO-DTWKUNHWSA-N 0 3 296.779 2.516 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000750684500 574351142 /nfs/dbraw/zinc/35/11/42/574351142.db2.gz RIXDJCGJEBKOKO-RKDXNWHRSA-N 0 3 296.779 2.516 20 30 CFEDHN CCCCCCCC(=O)NCCN1CCC(OC)CC1 ZINC000750861395 574358155 /nfs/dbraw/zinc/35/81/55/574358155.db2.gz RZZBFCDUFVCETN-UHFFFAOYSA-N 0 3 284.444 2.574 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000743493491 574366903 /nfs/dbraw/zinc/36/69/03/574366903.db2.gz WIQUFXJTUMTGDR-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C\SC)C(C)C ZINC000751580120 574379433 /nfs/dbraw/zinc/37/94/33/574379433.db2.gz BXIWAEXPLJASAJ-MSKHEQNASA-N 0 3 282.453 2.678 20 30 CFEDHN CCOCCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000751825360 574383383 /nfs/dbraw/zinc/38/33/83/574383383.db2.gz KESACTKURLMNNM-SNVBAGLBSA-N 0 3 274.345 2.899 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000752101842 574388075 /nfs/dbraw/zinc/38/80/75/574388075.db2.gz POARQWMALLNNMN-HZSPNIEDSA-N 0 3 290.363 2.634 20 30 CFEDHN C=CCCCCCCCNC(=O)Cc1nc[nH]c1C ZINC000752980724 574397129 /nfs/dbraw/zinc/39/71/29/574397129.db2.gz CGPNAQLLLQUESI-UHFFFAOYSA-N 0 3 263.385 2.903 20 30 CFEDHN C#C[C@H](CC)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000753063475 574397963 /nfs/dbraw/zinc/39/79/63/574397963.db2.gz UBQXYXFIKMAJNW-SJORKVTESA-N 0 3 299.418 2.535 20 30 CFEDHN C[C@H](NCCCC#N)c1cnn(-c2ccccc2)c1 ZINC000753731142 574409095 /nfs/dbraw/zinc/40/90/95/574409095.db2.gz BOKXABMCSDTGKZ-ZDUSSCGKSA-N 0 3 254.337 2.827 20 30 CFEDHN C=C(Br)CN[C@H](COC)CC(C)C ZINC000308284747 618201815 /nfs/dbraw/zinc/20/18/15/618201815.db2.gz BEAQZWCYOCRYDJ-JTQLQIEISA-N 0 3 250.180 2.546 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823888475 608285174 /nfs/dbraw/zinc/28/51/74/608285174.db2.gz NIQCKNXILFGYCM-QWRGUYRKSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823888475 608285175 /nfs/dbraw/zinc/28/51/75/608285175.db2.gz NIQCKNXILFGYCM-QWRGUYRKSA-N 0 3 289.358 2.696 20 30 CFEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC#N)CC1 ZINC000824762297 609428283 /nfs/dbraw/zinc/42/82/83/609428283.db2.gz FQECMDNCRCMOEN-GFCCVEGCSA-N 0 3 296.378 2.553 20 30 CFEDHN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC#N)CC1 ZINC000824762297 609428284 /nfs/dbraw/zinc/42/82/84/609428284.db2.gz FQECMDNCRCMOEN-GFCCVEGCSA-N 0 3 296.378 2.553 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)C(CC)(CC)c2ccccc2)C1 ZINC000970769664 612959997 /nfs/dbraw/zinc/95/99/97/612959997.db2.gz UGRXPOSNHIKKFB-QGZVFWFLSA-N 0 3 298.430 2.568 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC000970901047 612965573 /nfs/dbraw/zinc/96/55/73/612965573.db2.gz IRFYSQYSQLTCRE-GOSISDBHSA-N 0 3 294.398 2.691 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964774657 613013702 /nfs/dbraw/zinc/01/37/02/613013702.db2.gz QNXNXRKSXNNVST-WBVHZDCISA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968606762 613014434 /nfs/dbraw/zinc/01/44/34/613014434.db2.gz JGBKMCBQFJKTCJ-QAPCUYQASA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965476511 613022405 /nfs/dbraw/zinc/02/24/05/613022405.db2.gz MNSBYBCFRRZERX-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967498893 613023935 /nfs/dbraw/zinc/02/39/35/613023935.db2.gz PJYWOLDPBQITMP-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964774649 613024033 /nfs/dbraw/zinc/02/40/33/613024033.db2.gz QNXNXRKSXNNVST-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975024873 613037360 /nfs/dbraw/zinc/03/73/60/613037360.db2.gz HJZKGUDVAZQHOA-CABCVRRESA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974626717 613038186 /nfs/dbraw/zinc/03/81/86/613038186.db2.gz ZBMOAYIODFFMIU-MAUKXSAKSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000948680424 613161067 /nfs/dbraw/zinc/16/10/67/613161067.db2.gz IEXXDKQKKPTMDA-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)CC1 ZINC000948674931 613161129 /nfs/dbraw/zinc/16/11/29/613161129.db2.gz DKDMDZREVNAOGK-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C23CCC(CC2)C3)CC1 ZINC000948554093 613161528 /nfs/dbraw/zinc/16/15/28/613161528.db2.gz QJTCXFWTTTUZPF-UPTPFMHGSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)CC1 ZINC000948542770 613162453 /nfs/dbraw/zinc/16/24/53/613162453.db2.gz UWPIHYUQPJHUCQ-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2csc(C)c2)CC1 ZINC000948856780 613164274 /nfs/dbraw/zinc/16/42/74/613164274.db2.gz MRBPRPBITQEGLJ-OAHLLOKOSA-N 0 3 290.432 2.616 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2CCCCCC2)CC1 ZINC000948239904 613178091 /nfs/dbraw/zinc/17/80/91/613178091.db2.gz AZFCZBKCEFPGPB-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000945365918 613223327 /nfs/dbraw/zinc/22/33/27/613223327.db2.gz MTNROCPNFWZNNX-UONOGXRCSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCCC2)[C@@H](C)C1 ZINC000942433973 613225033 /nfs/dbraw/zinc/22/50/33/613225033.db2.gz WZMYCZPANCOHRQ-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C[C@@H]1C ZINC000948078777 613236994 /nfs/dbraw/zinc/23/69/94/613236994.db2.gz NWPHUYAQLHIGOO-KBXCAEBGSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000945365916 613256306 /nfs/dbraw/zinc/25/63/06/613256306.db2.gz MTNROCPNFWZNNX-KBPBESRZSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C[C@H]1C ZINC000948061792 613268286 /nfs/dbraw/zinc/26/82/86/613268286.db2.gz ZIJKHUWEFOSIBG-KDOFPFPSSA-N 0 3 296.414 2.780 20 30 CFEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966520900 613270099 /nfs/dbraw/zinc/27/00/99/613270099.db2.gz GJYRWNOSORIPLZ-QWHCGFSZSA-N 0 3 293.436 2.550 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)C[C@@H]1C ZINC000947962244 613270875 /nfs/dbraw/zinc/27/08/75/613270875.db2.gz LLTVPXJFUCRTRR-WFASDCNBSA-N 0 3 290.794 2.556 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@H](C)C1 ZINC000942109002 613270971 /nfs/dbraw/zinc/27/09/71/613270971.db2.gz LBUNZOQMUXGNOG-QAPCUYQASA-N 0 3 298.430 2.883 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)cccc2F)C1 ZINC000970977677 613299316 /nfs/dbraw/zinc/29/93/16/613299316.db2.gz IAKSREBGBACAMX-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000969663026 613299318 /nfs/dbraw/zinc/29/93/18/613299318.db2.gz FZUCHIGIVHFDPZ-CABCVRRESA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)s2)C1 ZINC000969215435 613299832 /nfs/dbraw/zinc/29/98/32/613299832.db2.gz CUFIGSFYILKHTD-GFCCVEGCSA-N 0 3 278.421 2.683 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC000969977505 613301855 /nfs/dbraw/zinc/30/18/55/613301855.db2.gz YVPMKANCGBDMHJ-CBCUQQMYSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000970385027 613302145 /nfs/dbraw/zinc/30/21/45/613302145.db2.gz SVMPJIMPGAEDPQ-KBPBESRZSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000969819989 613302588 /nfs/dbraw/zinc/30/25/88/613302588.db2.gz FGYUVVVLRPNQEE-LBPRGKRZSA-N 0 3 287.407 2.518 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(F)cc2F)C1 ZINC000970828407 613303122 /nfs/dbraw/zinc/30/31/22/613303122.db2.gz CHTNHHNIOZAQGD-NSHDSACASA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000981226293 613309006 /nfs/dbraw/zinc/30/90/06/613309006.db2.gz CJIUYUJCIFLLIB-JKSUJKDBSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964708173 613325580 /nfs/dbraw/zinc/32/55/80/613325580.db2.gz FOUASOJNBBFCBH-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000964932651 613332695 /nfs/dbraw/zinc/33/26/95/613332695.db2.gz GZWQEOMIYRGVRR-FZMZJTMJSA-N 0 3 295.814 2.684 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968276674 613333235 /nfs/dbraw/zinc/33/32/35/613333235.db2.gz WYIMUZVFOYFJLR-LSDHHAIUSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974882439 613337604 /nfs/dbraw/zinc/33/76/04/613337604.db2.gz NPXMLRWHFHJDES-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)C23CCC(CC2)C3)C(C)(C)C1 ZINC000974734837 613341063 /nfs/dbraw/zinc/34/10/63/613341063.db2.gz XGTAWVXGUZIWFD-CSLYMUCUSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974963793 613341105 /nfs/dbraw/zinc/34/11/05/613341105.db2.gz VLXCWJRWPSZIAC-AWEZNQCLSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000974733977 613341398 /nfs/dbraw/zinc/34/13/98/613341398.db2.gz JLFZRUAMLLTEKW-INIZCTEOSA-N 0 3 286.419 2.632 20 30 CFEDHN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000963238792 613374266 /nfs/dbraw/zinc/37/42/66/613374266.db2.gz 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C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC000960257422 613871126 /nfs/dbraw/zinc/87/11/26/613871126.db2.gz YPGFTOBSPPPHAN-JCURWCKSSA-N 0 3 284.403 2.590 20 30 CFEDHN CC(C)C(=O)N[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000980921266 613919148 /nfs/dbraw/zinc/91/91/48/613919148.db2.gz JGXKNGQYJGOCPL-DLBZAZTESA-N 0 3 299.418 2.731 20 30 CFEDHN CC(C)C(=O)N[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000980921269 613949262 /nfs/dbraw/zinc/94/92/62/613949262.db2.gz JGXKNGQYJGOCPL-SJORKVTESA-N 0 3 299.418 2.731 20 30 CFEDHN CC(C)C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000941836312 613955644 /nfs/dbraw/zinc/95/56/44/613955644.db2.gz IREOGXDOBFFINO-YOEHRIQHSA-N 0 3 299.418 2.541 20 30 CFEDHN CC(C)=CC(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971007133 614266365 /nfs/dbraw/zinc/26/63/65/614266365.db2.gz ZQILAENUTBWBNJ-KRWDZBQOSA-N 0 3 297.402 2.557 20 30 CFEDHN CCC(=O)N(C)C1CCC(NCc2ccccc2C#N)CC1 ZINC000962940419 614448808 /nfs/dbraw/zinc/44/88/08/614448808.db2.gz GREZBPFUCISQED-UHFFFAOYSA-N 0 3 299.418 2.827 20 30 CFEDHN CCCC(=O)N1C[C@@H](CNCc2ccccc2C#N)C[C@@H]1C ZINC000980304965 614853415 /nfs/dbraw/zinc/85/34/15/614853415.db2.gz CAUWNIDOTJWSQN-LSDHHAIUSA-N 0 3 299.418 2.685 20 30 CFEDHN CC[C@@H](c1ccccc1)N1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980838531 615548647 /nfs/dbraw/zinc/54/86/47/615548647.db2.gz RTINXALZDYKWHV-WBVHZDCISA-N 0 3 299.418 2.832 20 30 CFEDHN CC[C@@H](c1ccccc1)N1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980838530 615548699 /nfs/dbraw/zinc/54/86/99/615548699.db2.gz RTINXALZDYKWHV-RDJZCZTQSA-N 0 3 299.418 2.832 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)CCCO ZINC000778176717 617807756 /nfs/dbraw/zinc/80/77/56/617807756.db2.gz LFEJNACNYXVJIQ-LBPRGKRZSA-N 0 3 281.783 2.603 20 30 CFEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cncs1 ZINC000934198577 617947613 /nfs/dbraw/zinc/94/76/13/617947613.db2.gz NPWYUDJVSMXJRI-LLVKDONJSA-N 0 3 273.361 2.744 20 30 CFEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cncs1 ZINC000934198578 617947767 /nfs/dbraw/zinc/94/77/67/617947767.db2.gz NPWYUDJVSMXJRI-NSHDSACASA-N 0 3 273.361 2.744 20 30 CFEDHN CC[C@@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000900903699 620728502 /nfs/dbraw/zinc/72/85/02/620728502.db2.gz DWGLDAXWVBSGOZ-ULQDDVLXSA-N 0 3 299.418 2.625 20 30 CFEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021634154 618097171 /nfs/dbraw/zinc/09/71/71/618097171.db2.gz XEZGCTKXNMOQPE-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900974271 620735379 /nfs/dbraw/zinc/73/53/79/620735379.db2.gz YZJIDCNCNNZBPJ-AWEZNQCLSA-N 0 3 298.390 2.959 20 30 CFEDHN C=C1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000891544578 617657566 /nfs/dbraw/zinc/65/75/66/617657566.db2.gz XXCZMBKLEDGDDX-QGZVFWFLSA-N 0 3 299.418 2.623 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(CC)ccn3)CCC[C@@H]12 ZINC000990867251 620741665 /nfs/dbraw/zinc/74/16/65/620741665.db2.gz AFIYBUHCIGYSKF-AEFFLSMTSA-N 0 3 299.418 2.557 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253095811 617678186 /nfs/dbraw/zinc/67/81/86/617678186.db2.gz PNUVDICRJFXAHE-UTUOFQBUSA-N 0 3 274.202 2.520 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001020575366 617720072 /nfs/dbraw/zinc/72/00/72/617720072.db2.gz IVIVHLQUXWHDCT-IJLUTSLNSA-N 0 3 298.839 2.841 20 30 CFEDHN C#C[C@H]1CCCCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000890656287 617742305 /nfs/dbraw/zinc/74/23/05/617742305.db2.gz VUJUBFRPTDSJHD-INIZCTEOSA-N 0 3 295.386 2.919 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCOC1 ZINC000176080414 617774082 /nfs/dbraw/zinc/77/40/82/617774082.db2.gz WNNRVTOKVKRQJF-CHWSQXEVSA-N 0 3 297.358 2.566 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@H]1COc1ccc(F)cc1 ZINC000933927788 617827109 /nfs/dbraw/zinc/82/71/09/617827109.db2.gz VJNAPZJDFIRHNR-HIFRSBDPSA-N 0 3 292.354 2.598 20 30 CFEDHN Cn1cc([C@@H]2CSCCCN2CCCCC#N)cn1 ZINC000933983255 617855052 /nfs/dbraw/zinc/85/50/52/617855052.db2.gz UMRCKRZWWJEJBH-AWEZNQCLSA-N 0 3 278.425 2.594 20 30 CFEDHN C=CCCCN(CC)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000890809327 617907953 /nfs/dbraw/zinc/90/79/53/617907953.db2.gz SJWTTXCJPYYCOS-HNNXBMFYSA-N 0 3 264.413 2.818 20 30 CFEDHN COc1ccc(O)c(/C=N\CCN(C)Cc2ccccc2)c1 ZINC000255447913 617923935 /nfs/dbraw/zinc/92/39/35/617923935.db2.gz XNOXWPOWXOBLIF-UYRXBGFRSA-N 0 3 298.386 2.952 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001022679732 617985049 /nfs/dbraw/zinc/98/50/49/617985049.db2.gz BERBPCJQYNBHPT-XPCVCDNBSA-N 0 3 282.815 2.556 20 30 CFEDHN C=CC[C@H]1CCN1C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000934460851 618039378 /nfs/dbraw/zinc/03/93/78/618039378.db2.gz KFUDWJTTZJSIDF-ZFWWWQNUSA-N 0 3 272.348 2.662 20 30 CFEDHN C#C[C@H]1CCCCN1Cc1cccc2c1CCOC2 ZINC000934516138 618061047 /nfs/dbraw/zinc/06/10/47/618061047.db2.gz XGOKTYZSGLAJHT-INIZCTEOSA-N 0 3 255.361 2.747 20 30 CFEDHN N#CC(C(=O)C1CC=CC1)c1nc2ccccc2[nH]1 ZINC000158631664 618072266 /nfs/dbraw/zinc/07/22/66/618072266.db2.gz AKNFLRYMTMBYEP-NSHDSACASA-N 0 3 251.289 2.705 20 30 CFEDHN C#Cc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1 ZINC000891314155 618121537 /nfs/dbraw/zinc/12/15/37/618121537.db2.gz KYNXAKZFLHOIJX-MCIONIFRSA-N 0 3 270.376 2.868 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1ccnn1CC1CCC1 ZINC000901267055 620778373 /nfs/dbraw/zinc/77/83/73/620778373.db2.gz FCAGBVBAVUGJFD-UHFFFAOYSA-N 0 3 283.379 2.645 20 30 CFEDHN CCNc1ccccc1C=NNC1C[C@@H](C)O[C@H](C)C1 ZINC000901301513 620779639 /nfs/dbraw/zinc/77/96/39/620779639.db2.gz WLDYIMCGEBQLIF-CHWSQXEVSA-N 0 3 275.396 2.998 20 30 CFEDHN Cc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679317 618148496 /nfs/dbraw/zinc/14/84/96/618148496.db2.gz AXJHQAVRSAWLSJ-INIZCTEOSA-N 0 3 298.386 2.695 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001023044844 618152220 /nfs/dbraw/zinc/15/22/20/618152220.db2.gz IRYPYPCOPWGFBV-OKILXGFUSA-N 0 3 292.810 2.906 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933088296 618153109 /nfs/dbraw/zinc/15/31/09/618153109.db2.gz KEFJWBXECYFROB-QGZVFWFLSA-N 0 3 285.391 2.592 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001023049481 618153233 /nfs/dbraw/zinc/15/32/33/618153233.db2.gz YFNRSIKINWPFKU-GASCZTMLSA-N 0 3 292.810 2.906 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC001023072632 618154970 /nfs/dbraw/zinc/15/49/70/618154970.db2.gz XAWHKKFLCOROIP-GASCZTMLSA-N 0 3 292.810 2.527 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NN[C@@H]2CCCC[C@H]2O)cc1 ZINC000901334409 620787408 /nfs/dbraw/zinc/78/74/08/620787408.db2.gz LZUYYIBJQQFTQW-VDAUOWGFSA-N 0 3 287.407 2.645 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001023259069 618174782 /nfs/dbraw/zinc/17/47/82/618174782.db2.gz IXAHEMRXRMEINN-MRXNPFEDSA-N 0 3 290.451 2.808 20 30 CFEDHN C#CCC1(NCC(=O)N(c2ccccc2)C(C)C)CCC1 ZINC000933301082 618194566 /nfs/dbraw/zinc/19/45/66/618194566.db2.gz BLEWTSKFNLHXGN-UHFFFAOYSA-N 0 3 284.403 2.964 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2cc(F)ccc2C)CCC1 ZINC000933302832 618195553 /nfs/dbraw/zinc/19/55/53/618195553.db2.gz IYTYDOPHAOFHHH-CYBMUJFWSA-N 0 3 288.366 2.997 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccsc2C)C1 ZINC001022046720 618205677 /nfs/dbraw/zinc/20/56/77/618205677.db2.gz NVOMCQVXPBDLDF-PHIMTYICSA-N 0 3 284.812 2.659 20 30 CFEDHN C=CC[C@@H](C)N(C)CC(=O)NCCC1=CCCCC1 ZINC000933358330 618206818 /nfs/dbraw/zinc/20/68/18/618206818.db2.gz FXKAJLSXBVNICQ-CQSZACIVSA-N 0 3 264.413 2.890 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1cnnn1-c1ccccc1 ZINC000926567070 618214037 /nfs/dbraw/zinc/21/40/37/618214037.db2.gz CZFRRYQANOUOBE-CYBMUJFWSA-N 0 3 283.379 2.858 20 30 CFEDHN N#Cc1cc(CNC2([C@@H]3CCCCO3)CC2)ccc1F ZINC000933377630 618215087 /nfs/dbraw/zinc/21/50/87/618215087.db2.gz DXLKFFUGICDAPG-HNNXBMFYSA-N 0 3 274.339 2.889 20 30 CFEDHN Clc1cccc(C#CCN[C@]23C[C@H]2COC32CCC2)c1 ZINC000933384523 618216765 /nfs/dbraw/zinc/21/67/65/618216765.db2.gz CEULZFBFXLDWTN-WMLDXEAASA-N 0 3 287.790 2.993 20 30 CFEDHN CC(C)CCSCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000121452656 618219538 /nfs/dbraw/zinc/21/95/38/618219538.db2.gz KIXPGCMOXGEDNY-CYBMUJFWSA-N 0 3 296.436 2.533 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001023738487 618220176 /nfs/dbraw/zinc/22/01/76/618220176.db2.gz AOCCXRSVMMPMDJ-KRWDZBQOSA-N 0 3 298.430 2.687 20 30 CFEDHN CC(C)C(=O)N1CCC[C@@H](CNCc2ccccc2C#N)C1 ZINC001023848433 618229137 /nfs/dbraw/zinc/22/91/37/618229137.db2.gz IHMJHWJFNILWKB-HNNXBMFYSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C=C)cc2)CC1 ZINC000277489760 618229568 /nfs/dbraw/zinc/22/95/68/618229568.db2.gz LHOKXLRNPITLKM-UHFFFAOYSA-N 0 3 270.376 2.710 20 30 CFEDHN CC(=O)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165693188 618270213 /nfs/dbraw/zinc/27/02/13/618270213.db2.gz NHKNMKUTUBPVOH-UHFFFAOYSA-N 0 3 256.349 2.668 20 30 CFEDHN C[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CCN1C ZINC000235416400 618276886 /nfs/dbraw/zinc/27/68/86/618276886.db2.gz AUBADECALWRYPR-HTQZYQBOSA-N 0 3 270.789 2.563 20 30 CFEDHN C=C[C@@H]1CCCCN1[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894092355 618319973 /nfs/dbraw/zinc/31/99/73/618319973.db2.gz YXFNNMLMASCSKY-HZSPNIEDSA-N 0 3 269.360 2.661 20 30 CFEDHN CN(C)[C@H](CNCC#Cc1ccccc1)c1ccccc1 ZINC000893320767 618338176 /nfs/dbraw/zinc/33/81/76/618338176.db2.gz QJFMLZLLVVGZMT-LJQANCHMSA-N 0 3 278.399 2.931 20 30 CFEDHN C=CCN(C[C@H](O)c1cccc(C)c1)[C@@H](C)COC ZINC000930930432 618341304 /nfs/dbraw/zinc/34/13/04/618341304.db2.gz HRRCGKWOICTJCV-HOCLYGCPSA-N 0 3 263.381 2.551 20 30 CFEDHN CCC[C@@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895163438 618412716 /nfs/dbraw/zinc/41/27/16/618412716.db2.gz UMPLIVZGLMLGRA-LSDHHAIUSA-N 0 3 276.380 2.540 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024636279 618428817 /nfs/dbraw/zinc/42/88/17/618428817.db2.gz QYBXZWLCBOHGDB-JFIYKMOQSA-N 0 3 288.435 2.561 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643826 618430877 /nfs/dbraw/zinc/43/08/77/618430877.db2.gz HVXSIKAWMUQQPR-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN N#Cc1csc(CNC[C@H](O)c2ccccc2F)c1 ZINC000177689066 618473708 /nfs/dbraw/zinc/47/37/08/618473708.db2.gz LZFFTMUDAKXKGY-AWEZNQCLSA-N 0 3 276.336 2.582 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC000895217079 618480867 /nfs/dbraw/zinc/48/08/67/618480867.db2.gz ZVQRRENBVMQDQN-WKILWMFISA-N 0 3 257.377 2.974 20 30 CFEDHN C=CCC1(NCc2nc(Br)nn2C)CCCC1 ZINC000895280074 618507477 /nfs/dbraw/zinc/50/74/77/618507477.db2.gz NMMNMUADPWWSAJ-UHFFFAOYSA-N 0 3 299.216 2.556 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895390498 618563784 /nfs/dbraw/zinc/56/37/84/618563784.db2.gz VHCZVKLNAMGHKK-GFCCVEGCSA-N 0 3 277.437 2.607 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@H](C(F)(F)F)C2)cc1 ZINC000851876222 618738356 /nfs/dbraw/zinc/73/83/56/618738356.db2.gz ULTIQBCIHPXTGQ-ZDUSSCGKSA-N 0 3 268.282 2.985 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001020064313 618799681 /nfs/dbraw/zinc/79/96/81/618799681.db2.gz MSPFHDOGQDIJCK-HDJSIYSDSA-N 0 3 282.815 2.866 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001006621923 618914758 /nfs/dbraw/zinc/91/47/58/618914758.db2.gz KDFNYWOIEJOJFX-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccccc1OC(F)(F)F ZINC000777452246 618958328 /nfs/dbraw/zinc/95/83/28/618958328.db2.gz BQQOIKYFMMFLAG-SECBINFHSA-N 0 3 287.285 2.935 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009077181 618977854 /nfs/dbraw/zinc/97/78/54/618977854.db2.gz VZNPYEQORFEZNF-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001009451309 618994231 /nfs/dbraw/zinc/99/42/31/618994231.db2.gz ADGCGMXRPSWRBF-QGZVFWFLSA-N 0 3 298.430 2.568 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009602353 619003111 /nfs/dbraw/zinc/00/31/11/619003111.db2.gz LQBYBOSCVKZYIY-FUHWJXTLSA-N 0 3 288.435 2.727 20 30 CFEDHN N#CCC1CCN(Cc2cccc3c2OCC3)CC1 ZINC000893489477 619017383 /nfs/dbraw/zinc/01/73/83/619017383.db2.gz ZGBSMKBMVIJMKE-UHFFFAOYSA-N 0 3 256.349 2.747 20 30 CFEDHN C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCCC#N ZINC000093462854 619026115 /nfs/dbraw/zinc/02/61/15/619026115.db2.gz LZRVBMMPDGBWFO-CHWSQXEVSA-N 0 3 281.400 2.668 20 30 CFEDHN C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)NCCC#N ZINC000093462853 619026129 /nfs/dbraw/zinc/02/61/29/619026129.db2.gz LZRVBMMPDGBWFO-QWHCGFSZSA-N 0 3 281.400 2.668 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccoc2)cc1 ZINC000105262715 619084273 /nfs/dbraw/zinc/08/42/73/619084273.db2.gz CETYRXZHQXGRPT-AWEZNQCLSA-N 0 3 282.299 2.803 20 30 CFEDHN CN1C[C@@H]2CCCN(c3ccc(C#N)cc3Cl)[C@@H]2C1 ZINC000894275300 619302148 /nfs/dbraw/zinc/30/21/48/619302148.db2.gz IUWHOJQJDMQKJN-SWLSCSKDSA-N 0 3 275.783 2.742 20 30 CFEDHN C=CCCCN(C)Cn1nc(C(=O)OC)c2ccccc21 ZINC000748086360 619334161 /nfs/dbraw/zinc/33/41/61/619334161.db2.gz CQOQWSMGKMDQSV-UHFFFAOYSA-N 0 3 287.363 2.678 20 30 CFEDHN C=C[C@H](C)NCc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894331132 619336642 /nfs/dbraw/zinc/33/66/42/619336642.db2.gz BXMCAWLDPONVGE-JTQLQIEISA-N 0 3 250.342 2.589 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895562476 619556041 /nfs/dbraw/zinc/55/60/41/619556041.db2.gz HRMLXMLVQFOZCE-GFCCVEGCSA-N 0 3 286.375 2.524 20 30 CFEDHN C[C@]1(CNCc2cccc(C#N)n2)OCCc2ccccc21 ZINC000895638418 619574580 /nfs/dbraw/zinc/57/45/80/619574580.db2.gz FRWWBOGFDDBIFN-GOSISDBHSA-N 0 3 293.370 2.531 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000895670599 619582407 /nfs/dbraw/zinc/58/24/07/619582407.db2.gz NDEXMXXUQMWJJU-UHFFFAOYSA-N 0 3 282.387 2.827 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(C(=O)OC)ccc1Cl ZINC000895712843 619588780 /nfs/dbraw/zinc/58/87/80/619588780.db2.gz DRLJVVWTVFHXKK-ZDUSSCGKSA-N 0 3 297.782 2.543 20 30 CFEDHN C#CCN1CCC(Nc2nccc3ccccc32)CC1 ZINC000895811605 619613286 /nfs/dbraw/zinc/61/32/86/619613286.db2.gz UCZRHCNGLSDVQK-UHFFFAOYSA-N 0 3 265.360 2.744 20 30 CFEDHN CCOc1ccc(CN[C@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000895862081 619620810 /nfs/dbraw/zinc/62/08/10/619620810.db2.gz UYJAVSHRWQKBCE-HNNXBMFYSA-N 0 3 282.343 2.807 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000896577129 619765257 /nfs/dbraw/zinc/76/52/57/619765257.db2.gz IRYZJZLTCNSQKB-CQSZACIVSA-N 0 3 270.376 2.853 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000320296365 619772751 /nfs/dbraw/zinc/77/27/51/619772751.db2.gz RVRMJRDTKULYDF-LBPRGKRZSA-N 0 3 284.743 2.665 20 30 CFEDHN C=C1CCC(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000896665905 619786996 /nfs/dbraw/zinc/78/69/96/619786996.db2.gz LKBIXJSYTXZPCM-HOTGVXAUSA-N 0 3 291.439 2.611 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(O)(C2CCC2)CC1 ZINC000897035922 619917307 /nfs/dbraw/zinc/91/73/07/619917307.db2.gz ZHEVQVVDPCZXLK-UHFFFAOYSA-N 0 3 299.414 2.826 20 30 CFEDHN CCO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000897069238 619924968 /nfs/dbraw/zinc/92/49/68/619924968.db2.gz TXVBIHSYHWULPK-KRWDZBQOSA-N 0 3 288.391 2.980 20 30 CFEDHN C[C@H](CCC#N)CN(C)CC(=O)NCCC1=CCCCC1 ZINC000897377724 620087590 /nfs/dbraw/zinc/08/75/90/620087590.db2.gz HPXXSDZHCGZCFH-OAHLLOKOSA-N 0 3 291.439 2.865 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000988926286 620227408 /nfs/dbraw/zinc/22/74/08/620227408.db2.gz GLKSMZUQDHCCNJ-KDOFPFPSSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC000989125923 620232775 /nfs/dbraw/zinc/23/27/75/620232775.db2.gz PVXMWXIBMCJPRJ-GXTWGEPZSA-N 0 3 298.411 2.727 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2csc3ccccc23)C1 ZINC000989258446 620241109 /nfs/dbraw/zinc/24/11/09/620241109.db2.gz HKXFLBXBWNKSCD-STQMWFEESA-N 0 3 298.411 2.727 20 30 CFEDHN C[C@@H]1CC2(CC(NCc3cc(C#N)cnc3Cl)C2)CO1 ZINC000897776663 620280262 /nfs/dbraw/zinc/28/02/62/620280262.db2.gz UKUJKKLPYZCTAF-ZZJLNTIPSA-N 0 3 291.782 2.654 20 30 CFEDHN C[C@H]1CC2(CC(NCc3cc(C#N)cnc3Cl)C2)CO1 ZINC000897776662 620280332 /nfs/dbraw/zinc/28/03/32/620280332.db2.gz UKUJKKLPYZCTAF-KKJMOOEGSA-N 0 3 291.782 2.654 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@]12C[C@H]1COC21CCC1 ZINC000898064721 620330409 /nfs/dbraw/zinc/33/04/09/620330409.db2.gz KILNUOWZDKMAKH-XJKSGUPXSA-N 0 3 286.350 2.746 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000989869783 620396335 /nfs/dbraw/zinc/39/63/35/620396335.db2.gz DLWXSPNRIYZLMV-ZBFHGGJFSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccccc3F)CCC[C@@H]12 ZINC000989903252 620399664 /nfs/dbraw/zinc/39/96/64/620399664.db2.gz LJYOVLJTEOJSBV-WBVHZDCISA-N 0 3 288.366 2.739 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989923250 620402530 /nfs/dbraw/zinc/40/25/30/620402530.db2.gz VLFQHUSQIXVUOD-IEBWSBKVSA-N 0 3 296.414 2.745 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C(C)=C3CCCC3)CCC[C@H]12 ZINC000990190387 620412302 /nfs/dbraw/zinc/41/23/02/620412302.db2.gz DDCBFJHSAQVVSU-FUHWJXTLSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccoc3Cl)CCC[C@H]12 ZINC000990376346 620416315 /nfs/dbraw/zinc/41/63/15/620416315.db2.gz QBUTVKBADVTEBL-SWLSCSKDSA-N 0 3 294.782 2.846 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3c(C)coc3C)CCC[C@H]12 ZINC000990514370 620428223 /nfs/dbraw/zinc/42/82/23/620428223.db2.gz LJHNKLUKHPIXJY-WMLDXEAASA-N 0 3 288.391 2.809 20 30 CFEDHN C[C@@H](C#N)C(=O)Nc1ccc(CN(C)C)c(C(F)(F)F)c1 ZINC000899671866 620591333 /nfs/dbraw/zinc/59/13/33/620591333.db2.gz GLISPVTXJPAWJU-VIFPVBQESA-N 0 3 299.296 2.865 20 30 CFEDHN C=C(C)C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(=O)[O-] ZINC000901680666 620892208 /nfs/dbraw/zinc/89/22/08/620892208.db2.gz ZPDOINIXHCRSAO-INIZCTEOSA-N 0 3 294.439 2.793 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC(F)(F)C3)CCC[C@@H]12 ZINC000990997850 621068901 /nfs/dbraw/zinc/06/89/01/621068901.db2.gz NXTHAUXYGJMRDQ-GZBFAFLISA-N 0 3 298.377 2.721 20 30 CFEDHN C[C@@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759467 621166729 /nfs/dbraw/zinc/16/67/29/621166729.db2.gz YCRFJHRZNZAGJS-CJNGLKHVSA-N 0 3 297.406 2.915 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000902777000 621171300 /nfs/dbraw/zinc/17/13/00/621171300.db2.gz QLGGYSUOUMXWCW-IUODEOHRSA-N 0 3 287.407 2.902 20 30 CFEDHN CO[C@H](CN[C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902825652 621182587 /nfs/dbraw/zinc/18/25/87/621182587.db2.gz APMQZEWIBYYWJD-SMDDNHRTSA-N 0 3 261.369 2.665 20 30 CFEDHN C[C@@H](NC[C@](C)(O)c1cccs1)c1cc(C#N)ccn1 ZINC000902815316 621185490 /nfs/dbraw/zinc/18/54/90/621185490.db2.gz ULACDDYIUWBYOM-ABAIWWIYSA-N 0 3 287.388 2.573 20 30 CFEDHN CC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1cccc(C#N)c1 ZINC000902869317 621192346 /nfs/dbraw/zinc/19/23/46/621192346.db2.gz UTQKDNNIERDSFD-HZPDHXFCSA-N 0 3 285.391 2.608 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)[C@@H]1CCCO1 ZINC000902958772 621214154 /nfs/dbraw/zinc/21/41/54/621214154.db2.gz SRFMRCRJYHGNOA-WBAXXEDZSA-N 0 3 295.386 2.704 20 30 CFEDHN C[C@H](NCC(C)(C)OCC1CC1)c1cc(C#N)ccn1 ZINC000903018511 621223073 /nfs/dbraw/zinc/22/30/73/621223073.db2.gz DDILYPAVSNXZGW-LBPRGKRZSA-N 0 3 273.380 2.809 20 30 CFEDHN CC[C@H](C)[C@H](CN[C@H](C)c1cc(C#N)ccn1)OC ZINC000903005020 621227145 /nfs/dbraw/zinc/22/71/45/621227145.db2.gz MDPBVVXNZMUHMH-ZOWXZIJZSA-N 0 3 261.369 2.665 20 30 CFEDHN C[C@@H](NCC(C)(C)C1(O)CCCC1)c1cc(C#N)ccn1 ZINC000903014246 621229976 /nfs/dbraw/zinc/22/99/76/621229976.db2.gz OVEUMYQUCAQQGC-CYBMUJFWSA-N 0 3 287.407 2.935 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000903014424 621229992 /nfs/dbraw/zinc/22/99/92/621229992.db2.gz SFCBUNWAWCPGLJ-UXIGCNINSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000903037790 621231193 /nfs/dbraw/zinc/23/11/93/621231193.db2.gz QMUFQNOKAXPUES-FPMFFAJLSA-N 0 3 273.380 2.950 20 30 CFEDHN C[C@H](N[C@H](C1CC1)[C@@H]1CCCCO1)c1cc(C#N)ccn1 ZINC000903043366 621232774 /nfs/dbraw/zinc/23/27/74/621232774.db2.gz XEVNUWWFVYTBAA-AFAVFJNCSA-N 0 3 285.391 2.952 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](Nc2ncccn2)C1 ZINC000903027711 621235186 /nfs/dbraw/zinc/23/51/86/621235186.db2.gz VZXVCGXILPXTRA-BBRMVZONSA-N 0 3 293.374 2.596 20 30 CFEDHN CO[C@@H](CN[C@H](C)c1cc(C#N)ccn1)C1CCCC1 ZINC000903055612 621235316 /nfs/dbraw/zinc/23/53/16/621235316.db2.gz BOPRXULRCBDWEN-WBMJQRKESA-N 0 3 273.380 2.809 20 30 CFEDHN CCOC(=O)NC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000903108633 621255805 /nfs/dbraw/zinc/25/58/05/621255805.db2.gz FTGADJYXJIKOHK-UHFFFAOYSA-N 0 3 293.411 2.717 20 30 CFEDHN CO[C@@]1(CN[C@@H](C)c2ccc(C#N)cc2F)CCSC1 ZINC000903314999 621329250 /nfs/dbraw/zinc/32/92/50/621329250.db2.gz RDNMTYZODSAAJX-XHDPSFHLSA-N 0 3 294.395 2.870 20 30 CFEDHN C=CCC[C@H](NCc1cn(C)cn1)[C@@H]1Cc2ccccc2O1 ZINC000903352536 621344447 /nfs/dbraw/zinc/34/44/47/621344447.db2.gz USLNVVMJDYQGHI-WMZOPIPTSA-N 0 3 297.402 2.848 20 30 CFEDHN Cc1cc(C)cc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080510 621690954 /nfs/dbraw/zinc/69/09/54/621690954.db2.gz LSLZFCSYUJQQQB-ZTFCMROMSA-N 0 3 253.305 2.736 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1F ZINC000905084681 621692002 /nfs/dbraw/zinc/69/20/02/621692002.db2.gz KIBOGZFUYNWDBO-NJQKBMNKSA-N 0 3 287.294 2.657 20 30 CFEDHN Cc1cc(C#N)cc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905083890 621692106 /nfs/dbraw/zinc/69/21/06/621692106.db2.gz HEODZDVUYODMRQ-RZBIUYHXSA-N 0 3 278.315 2.608 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1F ZINC000905084677 621692286 /nfs/dbraw/zinc/69/22/86/621692286.db2.gz KIBOGZFUYNWDBO-CAXXOGMASA-N 0 3 287.294 2.657 20 30 CFEDHN Cc1cccc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905087356 621692745 /nfs/dbraw/zinc/69/27/45/621692745.db2.gz XORWEIBRRNZPPO-ZTFCMROMSA-N 0 3 253.305 2.736 20 30 CFEDHN CN(C)Cc1ccccc1CNC(=O)c1ccsc1C#N ZINC000905334460 621750415 /nfs/dbraw/zinc/75/04/15/621750415.db2.gz IVQYJDRTDAQZMV-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015858325 625515235 /nfs/dbraw/zinc/51/52/35/625515235.db2.gz NORJQROCZRSCRJ-GFCCVEGCSA-N 0 3 293.436 2.647 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCCc3cccnc32)cc1 ZINC000905602985 621795801 /nfs/dbraw/zinc/79/58/01/621795801.db2.gz UUTYLZQNWDBFQW-IRXDYDNUSA-N 0 3 293.370 2.654 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCCc2ccccc2C1 ZINC000905656343 621810521 /nfs/dbraw/zinc/81/05/21/621810521.db2.gz MQORITWDSIUJTN-RHSMWYFYSA-N 0 3 267.376 2.967 20 30 CFEDHN COc1c(Cl)cccc1CNC[C@H](O)CC(C)(C)C#N ZINC000905643872 621817427 /nfs/dbraw/zinc/81/74/27/621817427.db2.gz NYHIIHNZAVPBBI-GFCCVEGCSA-N 0 3 296.798 2.739 20 30 CFEDHN CCC[C@@H](C)CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905777837 621845822 /nfs/dbraw/zinc/84/58/22/621845822.db2.gz PSUMWTMPYCZOMA-IUODEOHRSA-N 0 3 273.380 2.501 20 30 CFEDHN C[C@@]1(CNC[C@@H](C#N)CCC#N)CCOC2(CCC2)C1 ZINC000905842675 621874466 /nfs/dbraw/zinc/87/44/66/621874466.db2.gz CSYCVGTUJXIDJE-HUUCEWRRSA-N 0 3 275.396 2.759 20 30 CFEDHN C=CCC1(NCc2cn(C3CC3)nn2)CCCCC1 ZINC000906324131 621974251 /nfs/dbraw/zinc/97/42/51/621974251.db2.gz XWPLOTJDKGMGEI-UHFFFAOYSA-N 0 3 260.385 2.982 20 30 CFEDHN C=C(C)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907520892 622135078 /nfs/dbraw/zinc/13/50/78/622135078.db2.gz LHCIXLKSBJPKSN-UHFFFAOYSA-N 0 3 257.337 2.597 20 30 CFEDHN C=CCCCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908574124 622247232 /nfs/dbraw/zinc/24/72/32/622247232.db2.gz SDPUPFRPZGJKIM-UHFFFAOYSA-N 0 3 264.413 2.820 20 30 CFEDHN C#CCCCCC(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908573046 622247384 /nfs/dbraw/zinc/24/73/84/622247384.db2.gz MGXYVKYPOZGLOA-UHFFFAOYSA-N 0 3 276.424 2.657 20 30 CFEDHN CC[C@@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000819944402 622579960 /nfs/dbraw/zinc/57/99/60/622579960.db2.gz MYTUIQNIOYXRLS-XJKSGUPXSA-N 0 3 298.386 2.551 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)CCc1ccccc1 ZINC000911931046 622590704 /nfs/dbraw/zinc/59/07/04/622590704.db2.gz JZLYWXFFBYMLNL-GDBMZVCRSA-N 0 3 274.408 2.808 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1OC ZINC000912015797 622611213 /nfs/dbraw/zinc/61/12/13/622611213.db2.gz CCNAEZMSDSMHFT-JSGCOSHPSA-N 0 3 276.380 2.556 20 30 CFEDHN C#C[C@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912049376 622619056 /nfs/dbraw/zinc/61/90/56/622619056.db2.gz VTNOJQAJZLUMKB-AWEZNQCLSA-N 0 3 295.386 2.776 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000912077229 622626128 /nfs/dbraw/zinc/62/61/28/622626128.db2.gz GJMADFJJWDGBGP-ZDUSSCGKSA-N 0 3 298.333 2.588 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCOc1ccc(Cl)cc1 ZINC000912081891 622626962 /nfs/dbraw/zinc/62/69/62/622626962.db2.gz OOBQAUNUXSMSEP-AWEZNQCLSA-N 0 3 296.798 2.519 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000912205988 622661013 /nfs/dbraw/zinc/66/10/13/622661013.db2.gz CEIIQJMXNMCTMP-JKSUJKDBSA-N 0 3 272.392 2.816 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000912238770 622664004 /nfs/dbraw/zinc/66/40/04/622664004.db2.gz LMTBJUQYRLRENE-GJZGRUSLSA-N 0 3 260.381 2.938 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1OC(C)C ZINC000912262096 622668464 /nfs/dbraw/zinc/66/84/64/622668464.db2.gz OTDRBDWZIGDYTC-HNNXBMFYSA-N 0 3 290.407 2.774 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)Cc1ccccc1F ZINC000912410615 622708902 /nfs/dbraw/zinc/70/89/02/622708902.db2.gz TYAYTRRDGRTGGY-DOMZBBRYSA-N 0 3 278.371 2.557 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000912465891 622715179 /nfs/dbraw/zinc/71/51/79/622715179.db2.gz ZXMISJNUGZJNKT-RYUDHWBXSA-N 0 3 266.410 2.951 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000912450238 622719485 /nfs/dbraw/zinc/71/94/85/622719485.db2.gz ZVKLSDUSZJCPQM-AWEZNQCLSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12 ZINC000991419925 622811586 /nfs/dbraw/zinc/81/15/86/622811586.db2.gz ZGQXSCWQNRGQHG-PBHICJAKSA-N 0 3 287.407 2.544 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@H]12 ZINC000991503861 622950423 /nfs/dbraw/zinc/95/04/23/622950423.db2.gz OBKAWXACSMAIHX-WMZOPIPTSA-N 0 3 299.418 2.611 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000224736123 623011286 /nfs/dbraw/zinc/01/12/86/623011286.db2.gz OZLPGZDNNYZFEZ-LSDHHAIUSA-N 0 3 276.355 2.991 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@](C)(O)c1ccccc1 ZINC000822516317 623119874 /nfs/dbraw/zinc/11/98/74/623119874.db2.gz KYHKAXKJPYSYLE-INIZCTEOSA-N 0 3 286.400 2.959 20 30 CFEDHN C=C(Br)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000228195605 623135675 /nfs/dbraw/zinc/13/56/75/623135675.db2.gz NYWURWLVWBDBAU-HBNTYKKESA-N 0 3 274.202 2.688 20 30 CFEDHN C#CCN(CCC(=O)OCC)[C@H]1CCc2ccccc21 ZINC000173218347 623337306 /nfs/dbraw/zinc/33/73/06/623337306.db2.gz PPYGEUFLQDEJDJ-INIZCTEOSA-N 0 3 271.360 2.562 20 30 CFEDHN CN(CCC(C)(C)C#N)C[C@](C)(O)c1ccccc1 ZINC000823605433 623359313 /nfs/dbraw/zinc/35/93/13/623359313.db2.gz KMQRNHMRKPVMSV-INIZCTEOSA-N 0 3 260.381 2.766 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccc(F)cn1 ZINC000823618196 623363138 /nfs/dbraw/zinc/36/31/38/623363138.db2.gz PKPNTEHNZNMGBY-YVEFUNNKSA-N 0 3 299.349 2.819 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCC1 ZINC000173901790 623372228 /nfs/dbraw/zinc/37/22/28/623372228.db2.gz AERHAOURBQGFPO-GFCCVEGCSA-N 0 3 267.332 2.940 20 30 CFEDHN C=CCSCCNCc1ncc(C)c(OC)c1C ZINC000231944958 623377159 /nfs/dbraw/zinc/37/71/59/623377159.db2.gz RTMGAIHVMLFLRG-UHFFFAOYSA-N 0 3 266.410 2.716 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)c1 ZINC000173964503 623377485 /nfs/dbraw/zinc/37/74/85/623377485.db2.gz HFGPWIPNRJDYKU-NSHDSACASA-N 0 3 298.264 2.985 20 30 CFEDHN C#CCCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000174274528 623407940 /nfs/dbraw/zinc/40/79/40/623407940.db2.gz NFEGRKIMWHGFOK-QGZVFWFLSA-N 0 3 284.403 2.743 20 30 CFEDHN C#CCN(C(=O)CN(C)CCCCCC)C1CCCC1 ZINC000757171291 623439348 /nfs/dbraw/zinc/43/93/48/623439348.db2.gz AEGCACWPAKQDSA-UHFFFAOYSA-N 0 3 278.440 2.903 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000824368673 623496862 /nfs/dbraw/zinc/49/68/62/623496862.db2.gz TXQFNMWNMIWSPB-IRXDYDNUSA-N 0 3 297.402 2.613 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC[C@H](C)CCO ZINC000824517240 623515343 /nfs/dbraw/zinc/51/53/43/623515343.db2.gz RNBDWGQZHHTBMS-ZDUSSCGKSA-N 0 3 295.810 2.850 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CC34CCCC4)CCC[C@@H]12 ZINC000992378292 623527986 /nfs/dbraw/zinc/52/79/86/623527986.db2.gz IXLVFQFRUFIZLX-IIDMSEBBSA-N 0 3 288.435 2.866 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@H]12 ZINC000992403191 623532361 /nfs/dbraw/zinc/53/23/61/623532361.db2.gz JUKPPVZGFPTTQV-QILLFSRXSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN(CC)Cc1ccc(O[C@H](C)COC)cc1 ZINC000824621533 623534272 /nfs/dbraw/zinc/53/42/72/623534272.db2.gz QZNIMGQDFCYEBM-CQSZACIVSA-N 0 3 261.365 2.555 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC000992433498 623557401 /nfs/dbraw/zinc/55/74/01/623557401.db2.gz RJKZNWPZKYGGBW-VDZJLULYSA-N 0 3 296.414 2.537 20 30 CFEDHN Cc1ccncc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000824909369 623585753 /nfs/dbraw/zinc/58/57/53/623585753.db2.gz LFTIBRVKWDWAFI-CQSZACIVSA-N 0 3 281.359 2.971 20 30 CFEDHN CCCCCCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152239190 623669934 /nfs/dbraw/zinc/66/99/34/623669934.db2.gz QLZUXZKCNQJABD-LSDHHAIUSA-N 0 3 255.402 2.837 20 30 CFEDHN C#C[C@H](NCc1cncc(Br)c1C)C(C)C ZINC000825878957 623764801 /nfs/dbraw/zinc/76/48/01/623764801.db2.gz XNWYAKYTEOWRHF-ZDUSSCGKSA-N 0 3 281.197 2.900 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993024735 623851594 /nfs/dbraw/zinc/85/15/94/623851594.db2.gz PGRXCBAUVKQRMV-YPMHNXCESA-N 0 3 295.814 2.827 20 30 CFEDHN C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993065523 623881714 /nfs/dbraw/zinc/88/17/14/623881714.db2.gz HRMGUXYZFYBGJL-UKRRQHHQSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993065523 623881722 /nfs/dbraw/zinc/88/17/22/623881722.db2.gz HRMGUXYZFYBGJL-UKRRQHHQSA-N 0 3 288.391 2.551 20 30 CFEDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000826861835 623896512 /nfs/dbraw/zinc/89/65/12/623896512.db2.gz KZPJRKYPXJKSGC-LBPRGKRZSA-N 0 3 260.337 2.526 20 30 CFEDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000826861835 623896518 /nfs/dbraw/zinc/89/65/18/623896518.db2.gz KZPJRKYPXJKSGC-LBPRGKRZSA-N 0 3 260.337 2.526 20 30 CFEDHN COc1cccc(O)c1CN1CCC[C@@H](CC#N)C1 ZINC000826861835 623896523 /nfs/dbraw/zinc/89/65/23/623896523.db2.gz KZPJRKYPXJKSGC-LBPRGKRZSA-N 0 3 260.337 2.526 20 30 CFEDHN CCN1CCC[C@@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000827280514 623980385 /nfs/dbraw/zinc/98/03/85/623980385.db2.gz DUMRYFCACXBTHV-CQSZACIVSA-N 0 3 271.364 2.657 20 30 CFEDHN C=CCOc1cccc(CNC[C@@H](O)c2ccco2)c1 ZINC000915227925 624000929 /nfs/dbraw/zinc/00/09/29/624000929.db2.gz CYNGOBOJIZWSJK-OAHLLOKOSA-N 0 3 273.332 2.668 20 30 CFEDHN C#C[C@@H](N[C@H](C)c1cc2cnccc2o1)C1CCOCC1 ZINC000827554937 624030043 /nfs/dbraw/zinc/03/00/43/624030043.db2.gz LMNBVNKJFVETSD-IUODEOHRSA-N 0 3 284.359 2.907 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1cc2cnccc2o1)C1CCOCC1 ZINC000827554939 624030073 /nfs/dbraw/zinc/03/00/73/624030073.db2.gz LMNBVNKJFVETSD-WFASDCNBSA-N 0 3 284.359 2.907 20 30 CFEDHN C#C[C@H](NCc1cc2cccc(OC)c2o1)C1CCOCC1 ZINC000827569384 624035235 /nfs/dbraw/zinc/03/52/35/624035235.db2.gz AJYFNPDPMBXXCJ-INIZCTEOSA-N 0 3 299.370 2.959 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000827822743 624102480 /nfs/dbraw/zinc/10/24/80/624102480.db2.gz DTRGYHJKROSTAN-UHFFFAOYSA-N 0 3 287.403 2.872 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2ccccc2[nH]1 ZINC000827826452 624103807 /nfs/dbraw/zinc/10/38/07/624103807.db2.gz GUBZGKBBODWRTP-UHFFFAOYSA-N 0 3 256.349 2.640 20 30 CFEDHN C#CCCN(C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000827823819 624103930 /nfs/dbraw/zinc/10/39/30/624103930.db2.gz VFWGALUISVABCJ-CLFYSBASSA-N 0 3 288.347 2.580 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993353210 624120189 /nfs/dbraw/zinc/12/01/89/624120189.db2.gz XWEFCECPTNBUKU-DZGCQCFKSA-N 0 3 262.397 2.642 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@@H]1C ZINC000993738468 624163564 /nfs/dbraw/zinc/16/35/64/624163564.db2.gz CYIKOXQLVJBILS-HOTGVXAUSA-N 0 3 290.451 2.949 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001015689672 624175381 /nfs/dbraw/zinc/17/53/81/624175381.db2.gz NOXFPAGOPLGRTE-QWHCGFSZSA-N 0 3 278.421 2.618 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000915983201 624201305 /nfs/dbraw/zinc/20/13/05/624201305.db2.gz TUDUKNRAVRLPGP-GKQSURNASA-N 0 3 290.407 2.961 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994257298 624245704 /nfs/dbraw/zinc/24/57/04/624245704.db2.gz ZFVANKLLSIGDFB-VQHPVUNQSA-N 0 3 290.451 2.805 20 30 CFEDHN N#CC(C(=O)C1CCOCC1)c1ccc2ccccc2n1 ZINC000916849710 624287007 /nfs/dbraw/zinc/28/70/07/624287007.db2.gz YGCOLNBTQGTYNC-CQSZACIVSA-N 0 3 280.327 2.838 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755836 624294701 /nfs/dbraw/zinc/29/47/01/624294701.db2.gz SEZOMYZDTGNLHT-ZWKOTPCHSA-N 0 3 298.430 2.558 20 30 CFEDHN N#Cc1c(Cl)nsc1NC[C@@H]1CCN(C2CC2)C1 ZINC000917062340 624305052 /nfs/dbraw/zinc/30/50/52/624305052.db2.gz OUAQKNKOSSIWQE-QMMMGPOBSA-N 0 3 282.800 2.564 20 30 CFEDHN C=C(Cl)CNC1CC(CNC(=O)OC(C)(C)C)C1 ZINC000925437761 624335530 /nfs/dbraw/zinc/33/55/30/624335530.db2.gz PUALEFLLUOHLRB-UHFFFAOYSA-N 0 3 274.792 2.632 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000829768679 624528015 /nfs/dbraw/zinc/52/80/15/624528015.db2.gz IGZJAENCBXLBFL-ZDUSSCGKSA-N 0 3 256.324 2.933 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000829769121 624528700 /nfs/dbraw/zinc/52/87/00/624528700.db2.gz OXMMPVOPUGLSDR-ZDUSSCGKSA-N 0 3 258.321 2.830 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cn3ccccc3n2)C1 ZINC000829773771 624530761 /nfs/dbraw/zinc/53/07/61/624530761.db2.gz JLEHMEUPMDVTOG-AWEZNQCLSA-N 0 3 253.349 2.570 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000829773623 624530955 /nfs/dbraw/zinc/53/09/55/624530955.db2.gz HAMVOLYUHHKAEE-AEFFLSMTSA-N 0 3 298.430 2.735 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000829774583 624531443 /nfs/dbraw/zinc/53/14/43/624531443.db2.gz QLEPZVTVASJUPO-VVLHAWIVSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CC[C@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000829783696 624536497 /nfs/dbraw/zinc/53/64/97/624536497.db2.gz ARVOEMSAUBTGQI-RDJZCZTQSA-N 0 3 282.387 2.527 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC000829789292 624539495 /nfs/dbraw/zinc/53/94/95/624539495.db2.gz RJIHQVHDZAUUCY-ZACQAIPSSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000829810514 624549236 /nfs/dbraw/zinc/54/92/36/624549236.db2.gz QPRSXNUJHAHTBR-UONOGXRCSA-N 0 3 265.397 2.842 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000829810515 624549874 /nfs/dbraw/zinc/54/98/74/624549874.db2.gz QPRSXNUJHAHTBR-ZIAGYGMSSA-N 0 3 265.397 2.842 20 30 CFEDHN CN(CC/N=C/c1cccc(O)c1O)Cc1ccccc1 ZINC000920173244 624695783 /nfs/dbraw/zinc/69/57/83/624695783.db2.gz AVNPDAKVLHRYCK-LDADJPATSA-N 0 3 284.359 2.649 20 30 CFEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842938578 626520324 /nfs/dbraw/zinc/52/03/24/626520324.db2.gz LCQSOQJMTAIEAB-IONNQARKSA-N 0 3 266.391 2.948 20 30 CFEDHN C=CCN(CC=C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000831011173 624952665 /nfs/dbraw/zinc/95/26/65/624952665.db2.gz AOWSTXDQMMPOKZ-CYBMUJFWSA-N 0 3 293.798 2.634 20 30 CFEDHN C=CCCCCN1CCN(c2cccc(F)n2)CC1 ZINC000831489494 625034447 /nfs/dbraw/zinc/03/44/47/625034447.db2.gz KBGKLMLQJIACNC-UHFFFAOYSA-N 0 3 263.360 2.699 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000831679326 625095291 /nfs/dbraw/zinc/09/52/91/625095291.db2.gz USEVWVTZLIZHBH-CVEARBPZSA-N 0 3 299.370 2.843 20 30 CFEDHN Cc1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)cc1C#N ZINC000831798855 625133408 /nfs/dbraw/zinc/13/34/08/625133408.db2.gz UZPOUAUCFIEBNA-OAHLLOKOSA-N 0 3 299.418 2.747 20 30 CFEDHN CN1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185736388 625768607 /nfs/dbraw/zinc/76/86/07/625768607.db2.gz FODPHZDVYCOHMZ-DOTOQJQBSA-N 0 3 298.434 2.933 20 30 CFEDHN C#CCOc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000834890043 625910477 /nfs/dbraw/zinc/91/04/77/625910477.db2.gz IEAYUXHAZFKXLQ-INIZCTEOSA-N 0 3 281.359 2.589 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)s2)CC1 ZINC000996890056 625936897 /nfs/dbraw/zinc/93/68/97/625936897.db2.gz BBOWKOIUXYIYIL-CYBMUJFWSA-N 0 3 290.432 2.520 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NOC[C@@H]2CCOC2)cc1 ZINC000834973093 625939639 /nfs/dbraw/zinc/93/96/39/625939639.db2.gz LQGONFIMZMTYLW-HLJVHZDYSA-N 0 3 274.364 2.805 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NN[C@H]2CCSC2)cc1 ZINC000834979053 625943643 /nfs/dbraw/zinc/94/36/43/625943643.db2.gz FKMNSWVYBKRVPQ-PJZWOGFKSA-N 0 3 275.421 2.847 20 30 CFEDHN N#Cc1cc(CNC[C@H]2Cc3ccccc3O2)cs1 ZINC000921515214 625964762 /nfs/dbraw/zinc/96/47/62/625964762.db2.gz XUDQMKROVKWDTF-CYBMUJFWSA-N 0 3 270.357 2.713 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015987426 625986857 /nfs/dbraw/zinc/98/68/57/625986857.db2.gz IXJHDMBZRDXDQG-UONOGXRCSA-N 0 3 292.448 2.927 20 30 CFEDHN C[C@H](COCC(F)(F)F)NCc1csc(C#N)c1 ZINC000921613055 625993957 /nfs/dbraw/zinc/99/39/57/625993957.db2.gz NORGUYQCNBPHGO-MRVPVSSYSA-N 0 3 278.299 2.677 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccccc2CC)CC1 ZINC000997729698 626014598 /nfs/dbraw/zinc/01/45/98/626014598.db2.gz RAUQCWXAFVBGEL-HNNXBMFYSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000997741305 626014995 /nfs/dbraw/zinc/01/49/95/626014995.db2.gz HOGNUKRQSHUFQZ-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C=C)cc2)CC1 ZINC000997771205 626015346 /nfs/dbraw/zinc/01/53/46/626015346.db2.gz WOHYJLKRVKDKAT-HNNXBMFYSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cc(C)co2)CC1 ZINC000998105355 626032222 /nfs/dbraw/zinc/03/22/22/626032222.db2.gz YOPKABRSWXBAQT-OAHLLOKOSA-N 0 3 288.391 2.538 20 30 CFEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1C(F)(F)F ZINC000998248428 626037983 /nfs/dbraw/zinc/03/79/83/626037983.db2.gz VETDKKXMAFEXQA-NWDGAFQWSA-N 0 3 292.345 2.588 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)Cc2ccsc2)C1 ZINC000998402731 626048347 /nfs/dbraw/zinc/04/83/47/626048347.db2.gz PSDKRUAFZYJQRW-UHFFFAOYSA-N 0 3 298.839 2.622 20 30 CFEDHN N#Cc1cc(CNC[C@@H](O)C2CCCCC2)cs1 ZINC000921666100 626054150 /nfs/dbraw/zinc/05/41/50/626054150.db2.gz APBXUSFNXGIYFQ-CQSZACIVSA-N 0 3 264.394 2.651 20 30 CFEDHN C#CCN1CCC(C2(NC(=O)c3ccccc3C)CC2)CC1 ZINC001000066513 626087149 /nfs/dbraw/zinc/08/71/49/626087149.db2.gz PYAMUCJAFWVHON-UHFFFAOYSA-N 0 3 296.414 2.603 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2sccc2C)CC1 ZINC001000346592 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627275777 /nfs/dbraw/zinc/27/57/77/627275777.db2.gz SVFVIMFZTZTMHC-OAHLLOKOSA-N 0 3 270.332 2.591 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)c2ccc(F)cc2)c(F)c1 ZINC000767717959 627279415 /nfs/dbraw/zinc/27/94/15/627279415.db2.gz QODWJDNBTDQTBF-MRXNPFEDSA-N 0 3 288.297 2.660 20 30 CFEDHN CCOc1ccc(CN2CCC(C#N)CC2)c(O)c1 ZINC000769192201 627411240 /nfs/dbraw/zinc/41/12/40/627411240.db2.gz ITPHJICJDFEGQM-UHFFFAOYSA-N 0 3 260.337 2.526 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769285424 627418613 /nfs/dbraw/zinc/41/86/13/627418613.db2.gz ZBRJGJZHJGOANM-KBPBESRZSA-N 0 3 290.338 2.712 20 30 CFEDHN N#Cc1ccc(F)c(CNC2CC(C(F)F)C2)c1 ZINC000769528118 627452156 /nfs/dbraw/zinc/45/21/56/627452156.db2.gz RYZQGNNOJMOZNM-UHFFFAOYSA-N 0 3 254.255 2.831 20 30 CFEDHN CN(Cc1ccc[nH]1)Cc1ccc(N(C)CCC#N)cc1 ZINC000769542361 627454346 /nfs/dbraw/zinc/45/43/46/627454346.db2.gz HCQRLXFRCOQFCF-UHFFFAOYSA-N 0 3 282.391 2.997 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000769660938 627464769 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/nfs/dbraw/zinc/99/80/88/627998088.db2.gz PAKCGSWAAOPJHR-VIFPVBQESA-N 0 3 298.180 2.617 20 30 CFEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000775229106 628001004 /nfs/dbraw/zinc/00/10/04/628001004.db2.gz ZHGIOJGANDDHSL-OAHLLOKOSA-N 0 3 296.326 2.787 20 30 CFEDHN COc1ccc(O)c([C@H](C)NCc2ccnc(C#N)c2)c1 ZINC000775371429 628016171 /nfs/dbraw/zinc/01/61/71/628016171.db2.gz OGXPIKLPSDXFPA-NSHDSACASA-N 0 3 283.331 2.518 20 30 CFEDHN CC[C@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000775389942 628018514 /nfs/dbraw/zinc/01/85/14/628018514.db2.gz ZVQNHMCNVIEKIW-ROUUACIJSA-N 0 3 299.418 2.710 20 30 CFEDHN Cc1ccccc1[C@@H](NCC(=O)NCCC#N)C(C)(C)C ZINC000775463375 628028535 /nfs/dbraw/zinc/02/85/35/628028535.db2.gz LBUPWMKKGOASMO-MRXNPFEDSA-N 0 3 287.407 2.702 20 30 CFEDHN C#CCNC(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000775550642 628036010 /nfs/dbraw/zinc/03/60/10/628036010.db2.gz JVBBXVWUQMWBAX-KRWDZBQOSA-N 0 3 284.403 2.647 20 30 CFEDHN C#C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@H]1CCCO1 ZINC000775571951 628039855 /nfs/dbraw/zinc/03/98/55/628039855.db2.gz NDBXXRBOODVLST-MUYACECFSA-N 0 3 289.350 2.850 20 30 CFEDHN C#C[C@H](NC1CC(c2ccccc2F)C1)[C@H]1CCCO1 ZINC000775573295 628041198 /nfs/dbraw/zinc/04/11/98/628041198.db2.gz GSHOLHYWGSJOSY-CXMPNGEBSA-N 0 3 273.351 2.842 20 30 CFEDHN N#Cc1ccc(CCN2CCC(F)(F)CC2)cc1 ZINC000852003293 634624185 /nfs/dbraw/zinc/62/41/85/634624185.db2.gz ZXSXVKIBEGHLJU-UHFFFAOYSA-N 0 3 250.292 2.832 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000775984911 628091485 /nfs/dbraw/zinc/09/14/85/628091485.db2.gz IDGKIRDGGOHXCC-ILXRZTDVSA-N 0 3 287.407 2.502 20 30 CFEDHN N#CCNC(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776007081 628092918 /nfs/dbraw/zinc/09/29/18/628092918.db2.gz PSNZHNSAQKZFCF-QGZVFWFLSA-N 0 3 285.391 2.537 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(F)cc1F ZINC000776177131 628111893 /nfs/dbraw/zinc/11/18/93/628111893.db2.gz JKHLPYAJBACAOE-UHFFFAOYSA-N 0 3 276.290 2.872 20 30 CFEDHN COC[C@H](C)NN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000777903413 628264184 /nfs/dbraw/zinc/26/41/84/628264184.db2.gz ZWMFKPXQBINISY-YWWZSJOGSA-N 0 3 287.407 2.908 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)COC ZINC000778165569 628282202 /nfs/dbraw/zinc/28/22/02/628282202.db2.gz SUIAJMJYYQXQBY-LBPRGKRZSA-N 0 3 281.783 2.724 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(O)CC ZINC000778167279 628282559 /nfs/dbraw/zinc/28/25/59/628282559.db2.gz GHQZSIRBBCOZEU-HNNXBMFYSA-N 0 3 281.783 2.603 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)CCC ZINC000778170751 628282932 /nfs/dbraw/zinc/28/29/32/628282932.db2.gz XLNNSJGSPZGSTK-MRXNPFEDSA-N 0 3 295.810 2.993 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](CO)CC=C ZINC000778178757 628284206 /nfs/dbraw/zinc/28/42/06/628284206.db2.gz MFOZGMJUCHLELW-ZDUSSCGKSA-N 0 3 293.794 2.626 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(CC)Cc1cccc(F)c1 ZINC000852097565 634650943 /nfs/dbraw/zinc/65/09/43/634650943.db2.gz RFEXILKQSMYUSL-KRWDZBQOSA-N 0 3 290.382 2.566 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000852097901 634651899 /nfs/dbraw/zinc/65/18/99/634651899.db2.gz ZXSMKWABEXHCPQ-BLLLJJGKSA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000852098469 634652116 /nfs/dbraw/zinc/65/21/16/634652116.db2.gz OFIAEQQOZDSMGT-RHSMWYFYSA-N 0 3 278.440 2.948 20 30 CFEDHN CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(N)cc1C ZINC000780249643 628444891 /nfs/dbraw/zinc/44/48/91/628444891.db2.gz JTJBNUDUDXXWJQ-CQSZACIVSA-N 0 3 275.396 2.848 20 30 CFEDHN CCc1nc(C=NNc2ccc(OC)cn2)c2ccccn12 ZINC000780267369 628448332 /nfs/dbraw/zinc/44/83/32/628448332.db2.gz LBMFRTPNIBJJIZ-UHFFFAOYSA-N 0 3 295.346 2.746 20 30 CFEDHN C#C[C@](C)(CC)NC[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000852103336 634657482 /nfs/dbraw/zinc/65/74/82/634657482.db2.gz DXJVUOAPHRBJET-GDBMZVCRSA-N 0 3 278.396 2.531 20 30 CFEDHN COc1cccc(CN2CCC(C)(C#N)CC2)c1O ZINC000780782677 628497098 /nfs/dbraw/zinc/49/70/98/628497098.db2.gz SLLSKJKMQPBMBO-UHFFFAOYSA-N 0 3 260.337 2.526 20 30 CFEDHN C[C@@H](NCCCNc1ncccn1)c1ccc(C#N)cc1F ZINC000781420478 628547454 /nfs/dbraw/zinc/54/74/54/628547454.db2.gz APGVBLUWXHEXBV-GFCCVEGCSA-N 0 3 299.353 2.640 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cn1)c1ccccc1O ZINC000783300956 628698241 /nfs/dbraw/zinc/69/82/41/628698241.db2.gz RUSQGKXBBATNRP-LLVKDONJSA-N 0 3 253.305 2.510 20 30 CFEDHN CC(C)CO[C@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000783299532 628699050 /nfs/dbraw/zinc/69/90/50/628699050.db2.gz DJLWUSYUTQCRIC-HOTGVXAUSA-N 0 3 287.407 2.883 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnn2ccccc12 ZINC000785614030 628898119 /nfs/dbraw/zinc/89/81/19/628898119.db2.gz HTECONOCUVBTET-QGZVFWFLSA-N 0 3 288.354 2.983 20 30 CFEDHN CC[C@H](C)N(CCO)Cc1cc(Cl)ccc1OCC#N ZINC000805789352 628918994 /nfs/dbraw/zinc/91/89/94/628918994.db2.gz BJJBUCYWGCHLIJ-LBPRGKRZSA-N 0 3 296.798 2.835 20 30 CFEDHN C=CCCN(C)[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000786445123 628957278 /nfs/dbraw/zinc/95/72/78/628957278.db2.gz MMZKHXKLDMWMDH-INIZCTEOSA-N 0 3 272.392 2.998 20 30 CFEDHN CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)cn1 ZINC000786919453 628984756 /nfs/dbraw/zinc/98/47/56/628984756.db2.gz LRWZGPQLFATDCV-CXAGYDPISA-N 0 3 281.359 2.819 20 30 CFEDHN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787070489 628991344 /nfs/dbraw/zinc/99/13/44/628991344.db2.gz GHXAFIBJWPVUOX-KBMXLJTQSA-N 0 3 298.386 2.790 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC(C)(C)C ZINC000787074324 628991426 /nfs/dbraw/zinc/99/14/26/628991426.db2.gz YEYVDTVHLCNLOI-AWEZNQCLSA-N 0 3 286.375 2.790 20 30 CFEDHN C#CCCN1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827142 628993841 /nfs/dbraw/zinc/99/38/41/628993841.db2.gz NREFPSMJPUFURX-MRXNPFEDSA-N 0 3 292.423 2.923 20 30 CFEDHN CC(=NN[C@@H](CO)c1ccccc1)c1ccc(N)cc1C ZINC000788460019 629070774 /nfs/dbraw/zinc/07/07/74/629070774.db2.gz IBUQVMCIFPTJGS-KRWDZBQOSA-N 0 3 283.375 2.624 20 30 CFEDHN C#CCC1(C(=O)N(C)[C@@H]2CCCN(C)C2)CCCCC1 ZINC000788512589 629077187 /nfs/dbraw/zinc/07/71/87/629077187.db2.gz YUZFVVUZWSLLHE-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCC1(C(=O)N[C@@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000788528722 629078804 /nfs/dbraw/zinc/07/88/04/629078804.db2.gz OFGBBZGUYSBLLO-MRXNPFEDSA-N 0 3 290.451 2.949 20 30 CFEDHN C#C[C@@H](Cc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000805900319 629176786 /nfs/dbraw/zinc/17/67/86/629176786.db2.gz MCICWUKURCJXSM-SFHVURJKSA-N 0 3 297.398 2.649 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000852303656 634715661 /nfs/dbraw/zinc/71/56/61/634715661.db2.gz VTPDXJQIHGZFKE-VXGBXAGGSA-N 0 3 292.345 2.780 20 30 CFEDHN CC[C@@H](C)NN=Cc1ccc(N(CC)CCO)cc1C ZINC000790184633 629216739 /nfs/dbraw/zinc/21/67/39/629216739.db2.gz YXVMMZGICXJPNB-CQSZACIVSA-N 0 3 277.412 2.536 20 30 CFEDHN CCCCCCCCNC(=O)N1CCN2CCC1CC2 ZINC000790797588 629263581 /nfs/dbraw/zinc/26/35/81/629263581.db2.gz UQEFBHPIQXIRET-UHFFFAOYSA-N 0 3 281.444 2.837 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791538481 629328867 /nfs/dbraw/zinc/32/88/67/629328867.db2.gz AQFKIEQXZLBOEQ-KBXCAEBGSA-N 0 3 267.372 2.697 20 30 CFEDHN C=C(C)CN(CCN1CCOC1=O)Cc1ccccc1 ZINC000791569059 629334578 /nfs/dbraw/zinc/33/45/78/629334578.db2.gz RLLXRCRTPRVQJG-UHFFFAOYSA-N 0 3 274.364 2.517 20 30 CFEDHN CCCCCCCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000791586865 629336704 /nfs/dbraw/zinc/33/67/04/629336704.db2.gz ZJBXKARZDKVPSQ-LSDHHAIUSA-N 0 3 255.402 2.837 20 30 CFEDHN C=CCN(C[C@H](O)c1ccccc1Cl)[C@H](C)COC ZINC000852356839 634730684 /nfs/dbraw/zinc/73/06/84/634730684.db2.gz PSTQNKWNCVOVBP-DOMZBBRYSA-N 0 3 283.799 2.896 20 30 CFEDHN C=CCN(Cc1ccc(OCC#N)cc1)[C@H](C)COC ZINC000852357389 634732059 /nfs/dbraw/zinc/73/20/59/634732059.db2.gz AALRLNJVGRYVAG-CQSZACIVSA-N 0 3 274.364 2.612 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000792378542 629423742 /nfs/dbraw/zinc/42/37/42/629423742.db2.gz QUBDLXBNRFAWLZ-KRWDZBQOSA-N 0 3 285.391 2.625 20 30 CFEDHN CC[C@]1(NCc2cc(Cl)ccc2OCC#N)CCOC1 ZINC000792426967 629425123 /nfs/dbraw/zinc/42/51/23/629425123.db2.gz PHDJFKPKPVWPDC-HNNXBMFYSA-N 0 3 294.782 2.901 20 30 CFEDHN C#CC[C@@H](OC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000835201109 629516023 /nfs/dbraw/zinc/51/60/23/629516023.db2.gz SLTIJXJTESMWLY-MRXNPFEDSA-N 0 3 273.376 2.953 20 30 CFEDHN COc1ccc(C[NH2+]CC(C)(C)CCC#N)c([O-])c1 ZINC000793387249 629536138 /nfs/dbraw/zinc/53/61/38/629536138.db2.gz BAKBBYVCBQBDMM-UHFFFAOYSA-N 0 3 262.353 2.820 20 30 CFEDHN CSCCON=Cc1ccc2c(c1)CCCN2C ZINC000794572146 629662190 /nfs/dbraw/zinc/66/21/90/629662190.db2.gz KSVJFGLTPWONQP-UHFFFAOYSA-N 0 3 264.394 2.783 20 30 CFEDHN CSCCON=C(C)c1ccc(N(C)C)cc1 ZINC000794572380 629662280 /nfs/dbraw/zinc/66/22/80/629662280.db2.gz PTUJELLENMYQQS-UHFFFAOYSA-N 0 3 252.383 2.856 20 30 CFEDHN CC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C)cc1[O-] ZINC000794805181 629688015 /nfs/dbraw/zinc/68/80/15/629688015.db2.gz GEAYTVNWNMRZFI-INIZCTEOSA-N 0 3 287.407 2.729 20 30 CFEDHN C=C(Br)CN1CCN(C2CCC2)C[C@@H](C)C1 ZINC000795128441 629736957 /nfs/dbraw/zinc/73/69/57/629736957.db2.gz SYMQFKPPMKKZAG-NSHDSACASA-N 0 3 287.245 2.701 20 30 CFEDHN N#CC1(CN[C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000852565998 634781968 /nfs/dbraw/zinc/78/19/68/634781968.db2.gz LAYPPSNMZSMAQE-ZFWWWQNUSA-N 0 3 255.365 2.686 20 30 CFEDHN COc1ccccc1CON=C1CN(C(C)C)C[C@@H]1C ZINC000799117555 630277672 /nfs/dbraw/zinc/27/76/72/630277672.db2.gz KGSLGMSBBWEYSM-ZDUSSCGKSA-N 0 3 276.380 2.928 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000799339450 630301335 /nfs/dbraw/zinc/30/13/35/630301335.db2.gz PFHPPXAETNQKHZ-RHSMWYFYSA-N 0 3 298.430 2.818 20 30 CFEDHN CN1CCN(c2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000799723130 630339527 /nfs/dbraw/zinc/33/95/27/630339527.db2.gz ZZELSGUAWNUXLG-GDBMZVCRSA-N 0 3 284.407 2.543 20 30 CFEDHN C#C[C@H](NCCSC1CCCCC1)[C@H]1CCCO1 ZINC000800374418 630375212 /nfs/dbraw/zinc/37/52/12/630375212.db2.gz JBOZYZJDIDGJDN-LSDHHAIUSA-N 0 3 267.438 2.823 20 30 CFEDHN C[C@H](C#N)OCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000801912452 630485848 /nfs/dbraw/zinc/48/58/48/630485848.db2.gz RKBLVCHNBDMEQD-KGLIPLIRSA-N 0 3 294.420 2.658 20 30 CFEDHN CC[C@@H](NCCO[C@@H](C)C#N)c1ccc(F)cc1F ZINC000801938713 630492198 /nfs/dbraw/zinc/49/21/98/630492198.db2.gz HZJYZIGRZTVOBF-IINYFYTJSA-N 0 3 268.307 2.934 20 30 CFEDHN CSc1ccccc1CN(C)CCO[C@@H](C)C#N ZINC000801952366 630495389 /nfs/dbraw/zinc/49/53/89/630495389.db2.gz ULUWGGZHLPSLTO-LBPRGKRZSA-N 0 3 264.394 2.769 20 30 CFEDHN C=C(C)CCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000803504721 630623669 /nfs/dbraw/zinc/62/36/69/630623669.db2.gz OGPIXOMDBSKRIF-CQSZACIVSA-N 0 3 251.370 2.903 20 30 CFEDHN C=CCCCCCCNC(=S)NC1CCN(C)CC1 ZINC000806585976 630817369 /nfs/dbraw/zinc/81/73/69/630817369.db2.gz DCLXGIYWFCMQTJ-UHFFFAOYSA-N 0 3 283.485 2.681 20 30 CFEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCCCCC#N)C1 ZINC000808387765 630985384 /nfs/dbraw/zinc/98/53/84/630985384.db2.gz SXITVDLKINSTNL-INIZCTEOSA-N 0 3 299.418 2.980 20 30 CFEDHN C[C@@H]1CCN(C(=O)C#CC2CC2)CCN1Cc1ccccc1 ZINC000837446306 631032421 /nfs/dbraw/zinc/03/24/21/631032421.db2.gz MSFTUUACJSROPA-MRXNPFEDSA-N 0 3 296.414 2.523 20 30 CFEDHN Cc1ccc(C)c(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000102816815 631039744 /nfs/dbraw/zinc/03/97/44/631039744.db2.gz PHADMLZDDUPDLF-INIZCTEOSA-N 0 3 298.386 2.614 20 30 CFEDHN C[C@H](NCC(=O)NCCC#N)c1ccc(F)c2ccccc21 ZINC000808768952 631046412 /nfs/dbraw/zinc/04/64/12/631046412.db2.gz RRGWJBQTROKEFV-LBPRGKRZSA-N 0 3 299.349 2.659 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1 ZINC000809425053 631224477 /nfs/dbraw/zinc/22/44/77/631224477.db2.gz SHFJMMDGDKVPEC-INIZCTEOSA-N 0 3 265.360 2.569 20 30 CFEDHN C#Cc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000809424827 631224531 /nfs/dbraw/zinc/22/45/31/631224531.db2.gz NARUILLPCVUYGG-UHFFFAOYSA-N 0 3 265.312 2.686 20 30 CFEDHN C#Cc1ccc(CN(C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000809541687 631230338 /nfs/dbraw/zinc/23/03/38/631230338.db2.gz NNKUUAAQJRGHCP-QGZVFWFLSA-N 0 3 293.366 2.940 20 30 CFEDHN C[C@H](NC[C@H](O)CC#N)c1ccc(-c2cccnc2)cc1 ZINC000809577746 631238673 /nfs/dbraw/zinc/23/86/73/631238673.db2.gz BJKXFCGSHDFBKY-SUMWQHHRSA-N 0 3 281.359 2.674 20 30 CFEDHN N#CC[C@@H](O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000809576175 631238779 /nfs/dbraw/zinc/23/87/79/631238779.db2.gz QQKZTINFKALQIR-HUUCEWRRSA-N 0 3 262.328 2.531 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OCc2ccncc2)cc1 ZINC000809683365 631260593 /nfs/dbraw/zinc/26/05/93/631260593.db2.gz BBUCCRMJEVVEBD-CQSZACIVSA-N 0 3 266.344 2.772 20 30 CFEDHN C#C[C@H](NCc1ccnn1-c1ccccc1OC)C(C)C ZINC000809685574 631262800 /nfs/dbraw/zinc/26/28/00/631262800.db2.gz BFBAQMHFSRMFAY-HNNXBMFYSA-N 0 3 283.375 2.628 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(CC)C[C@@H]2C)cc1 ZINC000809697541 631266979 /nfs/dbraw/zinc/26/69/79/631266979.db2.gz ITZBRPSEEKJNJS-INIZCTEOSA-N 0 3 286.419 2.615 20 30 CFEDHN C#C[C@@H](NCc1c(C)cc(OC)nc1C)C(C)(C)C ZINC000809781218 631287667 /nfs/dbraw/zinc/28/76/67/631287667.db2.gz JOOKZGFXOXQEJM-CQSZACIVSA-N 0 3 260.381 2.845 20 30 CFEDHN C#C[C@H](NCc1cc(OC)c2c(c1)OCCO2)C(C)(C)C ZINC000809781345 631287980 /nfs/dbraw/zinc/28/79/80/631287980.db2.gz OZJSWLQDSFYJHA-HNNXBMFYSA-N 0 3 289.375 2.604 20 30 CFEDHN CC(C)(C)[S@](=O)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000810218605 631346118 /nfs/dbraw/zinc/34/61/18/631346118.db2.gz JWINHICMIZISJF-MGPUTAFESA-N 0 3 290.432 2.682 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810528385 631382527 /nfs/dbraw/zinc/38/25/27/631382527.db2.gz UBKFSPJEKYIRAG-LBPRGKRZSA-N 0 3 282.359 2.532 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccnc(Cl)c1Cl ZINC000811487614 631569494 /nfs/dbraw/zinc/56/94/94/631569494.db2.gz YKWYLVBUDVJRCC-VIFPVBQESA-N 0 3 275.179 2.663 20 30 CFEDHN CN1CCCc2cc(C=NNC[C@@H]3CCSC3)ccc21 ZINC000811662004 631599769 /nfs/dbraw/zinc/59/97/69/631599769.db2.gz ZMMFGUVEMULSON-AWEZNQCLSA-N 0 3 289.448 2.746 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NNC23CC(C2)C3)cc1 ZINC000842543873 631660239 /nfs/dbraw/zinc/66/02/39/631660239.db2.gz MTKSCTZIJABNRH-MRAATPTDSA-N 0 3 255.365 2.894 20 30 CFEDHN Cc1cc(N)cc(C)c1C=NOCCOC(C)C ZINC000812237901 631675494 /nfs/dbraw/zinc/67/54/94/631675494.db2.gz OHWVJXMVDZJPEQ-UHFFFAOYSA-N 0 3 250.342 2.661 20 30 CFEDHN COCC1(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000842694672 631708868 /nfs/dbraw/zinc/70/88/68/631708868.db2.gz YAHXCWHQIBPPEI-NSHDSACASA-N 0 3 284.315 2.821 20 30 CFEDHN C#CCN(Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000155723954 650029987 /nfs/dbraw/zinc/02/99/87/650029987.db2.gz BKUYXRANBASLLP-UHFFFAOYSA-N 0 3 258.321 2.973 20 30 CFEDHN COC[C@H](C)[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000813061924 631822308 /nfs/dbraw/zinc/82/23/08/631822308.db2.gz XEWCGMGLJNLSAR-TUAOUCFPSA-N 0 3 286.331 2.923 20 30 CFEDHN N#CCCCC(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000813077913 631827981 /nfs/dbraw/zinc/82/79/81/631827981.db2.gz SUPNXPYPSKQBPF-UHFFFAOYSA-N 0 3 290.363 2.729 20 30 CFEDHN C#CC1CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC000843427217 631955719 /nfs/dbraw/zinc/95/57/19/631955719.db2.gz VWMOWUVPVPTFBI-UHFFFAOYSA-N 0 3 259.349 2.636 20 30 CFEDHN C#C[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC000813776453 631958409 /nfs/dbraw/zinc/95/84/09/631958409.db2.gz FMLVAFKGCQJACP-HZPDHXFCSA-N 0 3 290.451 2.948 20 30 CFEDHN CCc1ccc(C#CC(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000814507253 632082106 /nfs/dbraw/zinc/08/21/06/632082106.db2.gz QRBUAEVNHUCPCH-INIZCTEOSA-N 0 3 298.430 2.591 20 30 CFEDHN CC#CC(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000844041480 632101595 /nfs/dbraw/zinc/10/15/95/632101595.db2.gz SJSQBVCEKOTKOJ-QGZVFWFLSA-N 0 3 284.403 2.521 20 30 CFEDHN COC(CN[C@@H](CCCC#N)c1ccccc1)OC ZINC000814658715 632104527 /nfs/dbraw/zinc/10/45/27/632104527.db2.gz GNRBWUSUINJLTP-AWEZNQCLSA-N 0 3 262.353 2.630 20 30 CFEDHN Cc1cc(C)[nH]c(=NNC2=C[C@@H](C(F)(F)F)OCC2)n1 ZINC000814681576 632107175 /nfs/dbraw/zinc/10/71/75/632107175.db2.gz SEIQJOBCFRTCOI-JTQLQIEISA-N 0 3 288.273 2.603 20 30 CFEDHN CCC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(N)c1 ZINC000814908217 632159656 /nfs/dbraw/zinc/15/96/56/632159656.db2.gz KNYDNSNKABEVMS-AWEZNQCLSA-N 0 3 275.396 2.930 20 30 CFEDHN CC(C)CCOCCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369271 632182324 /nfs/dbraw/zinc/18/23/24/632182324.db2.gz JOANRVYPXLFKMF-KRWDZBQOSA-N 0 3 290.407 2.586 20 30 CFEDHN CO[C@H](CC(C)C)CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370172 632183326 /nfs/dbraw/zinc/18/33/26/632183326.db2.gz GFIAMNJUQHCQAU-IAGOWNOFSA-N 0 3 290.407 2.585 20 30 CFEDHN CCOc1ccc(N=NC2CN(C3CC3)C[C@@H]2C)cc1 ZINC000814984615 632186535 /nfs/dbraw/zinc/18/65/35/632186535.db2.gz RJKYMVOEUKTJNH-LBPRGKRZSA-N 0 3 273.380 2.967 20 30 CFEDHN Cc1ccnc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000815092984 632200400 /nfs/dbraw/zinc/20/04/00/632200400.db2.gz YKTPUODPCNTYEV-UKRRQHHQSA-N 0 3 270.380 2.657 20 30 CFEDHN C=CCOCCN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000815113798 632203623 /nfs/dbraw/zinc/20/36/23/632203623.db2.gz LHHBJSOCTWYITH-WDEREUQCSA-N 0 3 264.196 2.705 20 30 CFEDHN C=C[C@H](C)ONC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000845631534 632493907 /nfs/dbraw/zinc/49/39/07/632493907.db2.gz RINBBOYGWJOQNJ-AWEZNQCLSA-N 0 3 297.443 2.646 20 30 CFEDHN C#CCCOc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000816652965 632504886 /nfs/dbraw/zinc/50/48/86/632504886.db2.gz AATYFQGJYBKUFR-IYBDPMFKSA-N 0 3 286.419 2.613 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)o1)[C@@](C)(O)c1ccccc1 ZINC000846034659 632619053 /nfs/dbraw/zinc/61/90/53/632619053.db2.gz BEMMQTSZKZXXMK-MLGOLLRUSA-N 0 3 270.332 2.537 20 30 CFEDHN C=C(C)CO[N-]C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000846539631 632728673 /nfs/dbraw/zinc/72/86/73/632728673.db2.gz KJQYDDZXMJRQHX-INIZCTEOSA-N 0 3 288.391 2.523 20 30 CFEDHN C=C(C)CO[N-]C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000846539631 632728674 /nfs/dbraw/zinc/72/86/74/632728674.db2.gz KJQYDDZXMJRQHX-INIZCTEOSA-N 0 3 288.391 2.523 20 30 CFEDHN CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H](N)CCCC#N ZINC000818108220 632801880 /nfs/dbraw/zinc/80/18/80/632801880.db2.gz JIAKLYSBHZIFSZ-HNNXBMFYSA-N 0 3 299.418 2.894 20 30 CFEDHN C=C(C)CNCc1cc(C(OC)OC)ccc1F ZINC000818214276 632813527 /nfs/dbraw/zinc/81/35/27/632813527.db2.gz TYNFYVYMFIGHSZ-UHFFFAOYSA-N 0 3 253.317 2.783 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(Cl)c(F)c1 ZINC000846962465 632860981 /nfs/dbraw/zinc/86/09/81/632860981.db2.gz FUTLOPIGDKQQTH-NEPJUHHUSA-N 0 3 270.735 2.697 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC=C)c1ccccc1 ZINC000818589029 632873654 /nfs/dbraw/zinc/87/36/54/632873654.db2.gz MYTQTSCUYXIFPI-SFHVURJKSA-N 0 3 298.430 2.808 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC000818593247 632875114 /nfs/dbraw/zinc/87/51/14/632875114.db2.gz RIFSMDVQFZLKLI-OFLPRAFFSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC1CCC(C)(C)CC1 ZINC000818602921 632877312 /nfs/dbraw/zinc/87/73/12/632877312.db2.gz JOUBDSOYAALXMX-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000847023354 632888389 /nfs/dbraw/zinc/88/83/89/632888389.db2.gz LFBIXWKPIHPMBH-ZDUSSCGKSA-N 0 3 258.321 2.748 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000847023134 632888579 /nfs/dbraw/zinc/88/85/79/632888579.db2.gz LFBIXWKPIHPMBH-CYBMUJFWSA-N 0 3 258.321 2.748 20 30 CFEDHN CCOc1ccccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000818971503 632918557 /nfs/dbraw/zinc/91/85/57/632918557.db2.gz XSWQPUUFQFIACC-KRWDZBQOSA-N 0 3 296.370 2.780 20 30 CFEDHN Cc1nc(F)ccc1CNCc1ccc(CC#N)cc1 ZINC000842720560 633156121 /nfs/dbraw/zinc/15/61/21/633156121.db2.gz XKRGQIIYTASNNR-UHFFFAOYSA-N 0 3 269.323 2.885 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)OC[C@H](C)N1CCCCC1 ZINC000847961052 633167938 /nfs/dbraw/zinc/16/79/38/633167938.db2.gz SNIRFEXGVLUFEK-AWEZNQCLSA-N 0 3 286.375 2.898 20 30 CFEDHN C[C@H]1CN(C(=O)[C@H](N)CCCCC#N)Cc2ccccc21 ZINC000848396292 633248301 /nfs/dbraw/zinc/24/83/01/633248301.db2.gz KRJPBOYFUVHNSY-XJKSGUPXSA-N 0 3 285.391 2.544 20 30 CFEDHN N#Cc1ccc(N=NC2CCCN3CCCC[C@@H]23)cc1 ZINC000848403871 633249795 /nfs/dbraw/zinc/24/97/95/633249795.db2.gz ARZQLPMSZOCURG-INIZCTEOSA-N 0 3 268.364 2.974 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NNCCCn2ccnc2)cc1 ZINC000848416363 633254066 /nfs/dbraw/zinc/25/40/66/633254066.db2.gz IUZBGUQIBPUIQD-LWTDZCFHSA-N 0 3 297.406 2.628 20 30 CFEDHN C=CCN(Cc1ccc(/C=C/C(=O)OC)o1)C(C)C ZINC000848881560 633358482 /nfs/dbraw/zinc/35/84/82/633358482.db2.gz HOXJDBGMBDBQID-CMDGGOBGSA-N 0 3 263.337 2.862 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000848923845 633406246 /nfs/dbraw/zinc/40/62/46/633406246.db2.gz RGDWJFWJLLYXGX-AWEZNQCLSA-N 0 3 295.386 2.931 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 ZINC000848923852 633406664 /nfs/dbraw/zinc/40/66/64/633406664.db2.gz KCVCCQSYYHVUEY-LBPRGKRZSA-N 0 3 271.389 2.983 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000848924632 633407439 /nfs/dbraw/zinc/40/74/39/633407439.db2.gz XBKMDYGYZBKPSA-GFCCVEGCSA-N 0 3 255.321 2.515 20 30 CFEDHN COc1ccc(N2CC[C@@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000850347364 633948803 /nfs/dbraw/zinc/94/88/03/633948803.db2.gz QYWMJIQQKXVXPC-CYBMUJFWSA-N 0 3 297.358 2.528 20 30 CFEDHN C=CCCSCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000850354503 633951881 /nfs/dbraw/zinc/95/18/81/633951881.db2.gz LJDSZNGGEDRYCJ-UHFFFAOYSA-N 0 3 279.331 2.827 20 30 CFEDHN Cc1cc(CNC[C@]23OCCC[C@H]2C3(F)F)ccc1C#N ZINC000850379834 633966934 /nfs/dbraw/zinc/96/69/34/633966934.db2.gz HBICGIULOXQXBN-CABCVRRESA-N 0 3 292.329 2.771 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850442114 633994240 /nfs/dbraw/zinc/99/42/40/633994240.db2.gz AXVBBBPCOOWFLN-NSHDSACASA-N 0 3 294.376 2.620 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)C(C)(C)C(F)F ZINC000850462402 634003352 /nfs/dbraw/zinc/00/33/52/634003352.db2.gz OAFUZZGELXDKPS-VIFPVBQESA-N 0 3 253.296 2.723 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852779893 634833994 /nfs/dbraw/zinc/83/39/94/634833994.db2.gz GMKXTQWZTGXCHP-SWLSCSKDSA-N 0 3 261.365 2.599 20 30 CFEDHN CCN(CC)c1ccc(/C=N\Cc2ncccn2)c(O)c1 ZINC000852997689 634870673 /nfs/dbraw/zinc/87/06/73/634870673.db2.gz AOPZXWHPUSCTII-BOPFTXTBSA-N 0 3 284.363 2.648 20 30 CFEDHN C#Cc1cccnc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000853088032 634899794 /nfs/dbraw/zinc/89/97/94/634899794.db2.gz UTEDTIYPSJVLRQ-HNNXBMFYSA-N 0 3 281.359 2.905 20 30 CFEDHN C#Cc1cccnc1NC[C@@H](C)N1CCc2ccccc2C1 ZINC000853150557 634919578 /nfs/dbraw/zinc/91/95/78/634919578.db2.gz YPRYBSQGZJZAMQ-OAHLLOKOSA-N 0 3 291.398 2.922 20 30 CFEDHN OC1CCN(c2ccc(C=NOC3CCCC3)cc2)CC1 ZINC000853328295 634970433 /nfs/dbraw/zinc/97/04/33/634970433.db2.gz POKPUTJQHCGZGQ-UHFFFAOYSA-N 0 3 288.391 2.941 20 30 CFEDHN C[C@@H]1CCCCN1N=Cc1ccc2c(c1)CCN2C ZINC000853379219 634987651 /nfs/dbraw/zinc/98/76/51/634987651.db2.gz HDKDPIGQRHWXHE-CYBMUJFWSA-N 0 3 257.381 2.887 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)cn1 ZINC000853437659 634999197 /nfs/dbraw/zinc/99/91/97/634999197.db2.gz RDRCPPIYNFCYHE-SECBINFHSA-N 0 3 264.760 2.617 20 30 CFEDHN C=CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853537431 635031465 /nfs/dbraw/zinc/03/14/65/635031465.db2.gz XUCPHLSREIKSFA-MLGOLLRUSA-N 0 3 289.375 2.606 20 30 CFEDHN C=CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853537431 635031466 /nfs/dbraw/zinc/03/14/66/635031466.db2.gz XUCPHLSREIKSFA-MLGOLLRUSA-N 0 3 289.375 2.606 20 30 CFEDHN C=CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853537432 635031729 /nfs/dbraw/zinc/03/17/29/635031729.db2.gz XUCPHLSREIKSFA-WBMJQRKESA-N 0 3 289.375 2.606 20 30 CFEDHN C=CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853537432 635031735 /nfs/dbraw/zinc/03/17/35/635031735.db2.gz XUCPHLSREIKSFA-WBMJQRKESA-N 0 3 289.375 2.606 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C(=O)C(C)(C)[C@H]2C2CC2)C1 ZINC000853537184 635032192 /nfs/dbraw/zinc/03/21/92/635032192.db2.gz QSQSBPGNZLBFMQ-DZGCQCFKSA-N 0 3 276.424 2.879 20 30 CFEDHN C=CCCc1noc(-c2cc3c(s2)CCNC3)n1 ZINC000854160960 635235238 /nfs/dbraw/zinc/23/52/38/635235238.db2.gz SYSGCTKWCNSBBM-UHFFFAOYSA-N 0 3 261.350 2.562 20 30 CFEDHN CC(C)C#CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000854304819 635283803 /nfs/dbraw/zinc/28/38/03/635283803.db2.gz AHCFRJUPMWMFQP-QGZVFWFLSA-N 0 3 284.403 2.599 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)[C@H]1CCCOCC1 ZINC000857208380 635947101 /nfs/dbraw/zinc/94/71/01/635947101.db2.gz VGJHVEACVDGFMH-ZDUSSCGKSA-N 0 3 270.336 2.596 20 30 CFEDHN C=CCC[C@H](CO)N[C@H]1CCc2ccc(Cl)nc21 ZINC000857912481 636064268 /nfs/dbraw/zinc/06/42/68/636064268.db2.gz BTTSTQAXEJPYNP-NEPJUHHUSA-N 0 3 266.772 2.639 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1nc2ccccc2n1CC ZINC000858333299 636193567 /nfs/dbraw/zinc/19/35/67/636193567.db2.gz BPLLHNCLBYICBP-AWEZNQCLSA-N 0 3 285.391 2.574 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1ccc(OC)cc1Cl ZINC000858334418 636194612 /nfs/dbraw/zinc/19/46/12/636194612.db2.gz WMLMLBXBDPNIEH-ZDUSSCGKSA-N 0 3 281.783 2.867 20 30 CFEDHN C#CCCOC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000858879377 636367994 /nfs/dbraw/zinc/36/79/94/636367994.db2.gz AIWHNVDFKMCYSL-CYBMUJFWSA-N 0 3 292.404 2.635 20 30 CFEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccns1 ZINC000860053777 636771560 /nfs/dbraw/zinc/77/15/60/636771560.db2.gz YQHSYVYXLDGRFJ-LLVKDONJSA-N 0 3 273.361 2.744 20 30 CFEDHN N#CCc1cccc2c1CCN(C[C@@H](O)c1ccccc1)C2 ZINC000860105543 636788293 /nfs/dbraw/zinc/78/82/93/636788293.db2.gz VNLADEPROLJHJD-LJQANCHMSA-N 0 3 292.382 2.844 20 30 CFEDHN COc1ccc([C@H]2CCN(CCO[C@@H](C)C#N)C2)cc1F ZINC000860104231 636788702 /nfs/dbraw/zinc/78/87/02/636788702.db2.gz KTVWZIXPWMVWFG-JSGCOSHPSA-N 0 3 292.354 2.552 20 30 CFEDHN CCC(C#N)(CC)C(=O)OCCN(C)Cc1ccccc1 ZINC000860199887 636824863 /nfs/dbraw/zinc/82/48/63/636824863.db2.gz KHPCLXABSGXCLF-UHFFFAOYSA-N 0 3 288.391 2.992 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764162 651213417 /nfs/dbraw/zinc/21/34/17/651213417.db2.gz RPXIFLWDIDNKQB-INIZCTEOSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000862448064 637388899 /nfs/dbraw/zinc/38/88/99/637388899.db2.gz WJBKTOIGESTZKV-GFCCVEGCSA-N 0 3 278.346 2.876 20 30 CFEDHN COc1ccc(C(C)=NNc2ccnc(C)c2)c(C)c1 ZINC000863160425 637575885 /nfs/dbraw/zinc/57/58/85/637575885.db2.gz DNYYRBUTIJNEKP-UHFFFAOYSA-N 0 3 269.348 2.965 20 30 CFEDHN CCCCCCCNC(=S)NC1CCN(C)CC1 ZINC000863199527 637585206 /nfs/dbraw/zinc/58/52/06/637585206.db2.gz DFFLYXQCNJDVIB-UHFFFAOYSA-N 0 3 271.474 2.515 20 30 CFEDHN CN(C)c1cccc(NCc2cc(C#N)ccc2N(C)C)n1 ZINC000865291527 638259750 /nfs/dbraw/zinc/25/97/50/638259750.db2.gz YVTVTXGERWWRTI-UHFFFAOYSA-N 0 3 295.390 2.697 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)Cc2ccc(C)s2)CC1 ZINC001006440679 650410992 /nfs/dbraw/zinc/41/09/92/650410992.db2.gz YKJWQCKHSBYSAV-UHFFFAOYSA-N 0 3 292.448 2.708 20 30 CFEDHN C=CC[C@@H](C)NCc1cccnc1Br ZINC000865469043 638356261 /nfs/dbraw/zinc/35/62/61/638356261.db2.gz ISGNLKNPRCYDFN-SECBINFHSA-N 0 3 255.159 2.898 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN[C@@H]1CSC1(C)C ZINC000865559277 638422754 /nfs/dbraw/zinc/42/27/54/638422754.db2.gz YYQBIQGNUAYANS-CQSZACIVSA-N 0 3 275.421 2.608 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)nn1 ZINC000865703840 638525841 /nfs/dbraw/zinc/52/58/41/638525841.db2.gz MKHCWYNPBZCRMX-IJEWVQPXSA-N 0 3 274.412 2.913 20 30 CFEDHN C#CCOc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000865754747 638553791 /nfs/dbraw/zinc/55/37/91/638553791.db2.gz SCSXPQLYWSAQEB-CHWSQXEVSA-N 0 3 269.266 2.739 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1 ZINC000865775409 638566177 /nfs/dbraw/zinc/56/61/77/638566177.db2.gz RQTWDVIWXXFTRY-PHIMTYICSA-N 0 3 292.404 2.830 20 30 CFEDHN C=CCN1CCC(N[C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866261703 638783134 /nfs/dbraw/zinc/78/31/34/638783134.db2.gz YUNMUWLAEKJUFA-DOTOQJQBSA-N 0 3 290.382 2.698 20 30 CFEDHN C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866400345 638815288 /nfs/dbraw/zinc/81/52/88/638815288.db2.gz YXRXGUINCIZJRA-KBPBESRZSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cc2n(n1)CCC2 ZINC000866615112 638855163 /nfs/dbraw/zinc/85/51/63/638855163.db2.gz BCBUFQSMSWCFIR-MLGOLLRUSA-N 0 3 292.386 2.519 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000868025594 638916331 /nfs/dbraw/zinc/91/63/31/638916331.db2.gz SAQKKDGMGGBVFT-CYBMUJFWSA-N 0 3 275.327 2.663 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000192679513 650584364 /nfs/dbraw/zinc/58/43/64/650584364.db2.gz SDWQMQLRTFSCKJ-SNVBAGLBSA-N 0 3 295.408 2.623 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062581 641594110 /nfs/dbraw/zinc/59/41/10/641594110.db2.gz NIVQJADHGXUUHI-WDEREUQCSA-N 0 3 296.392 2.904 20 30 CFEDHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNCCC#N)C2 ZINC000872234026 641710573 /nfs/dbraw/zinc/71/05/73/641710573.db2.gz ZNMFLGVDCMYDTL-BTTYYORXSA-N 0 3 293.411 2.668 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000873193222 642058322 /nfs/dbraw/zinc/05/83/22/642058322.db2.gz JZKQRGVPHYOTEW-HOTGVXAUSA-N 0 3 270.332 2.753 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000873198229 642063370 /nfs/dbraw/zinc/06/33/70/642063370.db2.gz ZKDREOAHLKLJOY-CTYIDZIISA-N 0 3 298.365 2.688 20 30 CFEDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(C#N)o1 ZINC000873376945 642165119 /nfs/dbraw/zinc/16/51/19/642165119.db2.gz ZAIRNDOUHHCNGF-UHFFFAOYSA-N 0 3 290.363 2.847 20 30 CFEDHN C=CCN(C(=O)NC[C@H]1CCN1C1CCCC1)C(C)C ZINC000875872793 642704037 /nfs/dbraw/zinc/70/40/37/642704037.db2.gz IDIMFGIJGSLPOM-OAHLLOKOSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000876321336 642823441 /nfs/dbraw/zinc/82/34/41/642823441.db2.gz MEEFOGJSWFJIFJ-HNNXBMFYSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1ccccc1 ZINC000876545061 642913234 /nfs/dbraw/zinc/91/32/34/642913234.db2.gz HEFRPUXLNUOWTG-GFCCVEGCSA-N 0 3 252.745 2.509 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1C ZINC000876546134 642914058 /nfs/dbraw/zinc/91/40/58/642914058.db2.gz ZIUBLNPULOCYOL-LLVKDONJSA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000876558912 642922283 /nfs/dbraw/zinc/92/22/83/642922283.db2.gz YFQFVFLXJNEGHQ-BXKDBHETSA-N 0 3 287.190 2.987 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2sccc2[C@@H]1C ZINC000876567220 642926709 /nfs/dbraw/zinc/92/67/09/642926709.db2.gz FVJUVKZXSCZJAY-ONGXEEELSA-N 0 3 284.812 2.664 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000876576512 642931187 /nfs/dbraw/zinc/93/11/87/642931187.db2.gz IJIVMWSJUSBJBC-BXUZGUMPSA-N 0 3 296.798 2.685 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000876581745 642933454 /nfs/dbraw/zinc/93/34/54/642933454.db2.gz PBZFZRZEKANYTD-GXFFZTMASA-N 0 3 284.762 2.815 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000876585506 642934482 /nfs/dbraw/zinc/93/44/82/642934482.db2.gz MUUOAXDCDQMGPQ-LBPRGKRZSA-N 0 3 284.812 2.709 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000876588225 642935059 /nfs/dbraw/zinc/93/50/59/642935059.db2.gz CSMWAETXSOSFPT-GXTWGEPZSA-N 0 3 280.799 2.984 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000876592963 642936733 /nfs/dbraw/zinc/93/67/33/642936733.db2.gz VQNPLPKPPCHXCS-KGLIPLIRSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCC1CCCC1 ZINC000876594811 642938039 /nfs/dbraw/zinc/93/80/39/642938039.db2.gz RMQBGWHDQBPBPH-LBPRGKRZSA-N 0 3 258.793 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000876633606 642951187 /nfs/dbraw/zinc/95/11/87/642951187.db2.gz CXKUUXWMBHXNBQ-GFCCVEGCSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H]1CCCC ZINC000876642741 642955201 /nfs/dbraw/zinc/95/52/01/642955201.db2.gz LBIYWBZHGHWRTQ-AGIUHOORSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000876649216 642957969 /nfs/dbraw/zinc/95/79/69/642957969.db2.gz PAQAHRGDUYKKOI-GAFUQQFSSA-N 0 3 272.820 2.882 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000876651994 642958938 /nfs/dbraw/zinc/95/89/38/642958938.db2.gz FPKDTEQTKMMEJH-UKRRQHHQSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1oc2ccccc2c1C ZINC000876667797 642964812 /nfs/dbraw/zinc/96/48/12/642964812.db2.gz NGZOFQWICHQZLG-LBPRGKRZSA-N 0 3 292.766 2.827 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000876668557 642965263 /nfs/dbraw/zinc/96/52/63/642965263.db2.gz XSCRWNLLIPVPLZ-JSGCOSHPSA-N 0 3 280.799 2.951 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000876669888 642966642 /nfs/dbraw/zinc/96/66/42/642966642.db2.gz AUJYSPIEYFEPIH-GFCCVEGCSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000876673596 642967651 /nfs/dbraw/zinc/96/76/51/642967651.db2.gz ZCMYYVRAIWYQND-CQSZACIVSA-N 0 3 294.826 2.841 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000876674435 642968331 /nfs/dbraw/zinc/96/83/31/642968331.db2.gz KEHHWDXJPRTJAE-GJZGRUSLSA-N 0 3 292.810 2.594 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000876682334 642970638 /nfs/dbraw/zinc/97/06/38/642970638.db2.gz IIAZGTBZVWXRKS-FRRDWIJNSA-N 0 3 270.804 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000876688514 642973650 /nfs/dbraw/zinc/97/36/50/642973650.db2.gz ZUNJZHLDHOIKBA-LBPRGKRZSA-N 0 3 294.782 2.809 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1CCC ZINC000876689560 642974401 /nfs/dbraw/zinc/97/44/01/642974401.db2.gz GEQBKRTVYIMIQT-DRZSPHRISA-N 0 3 272.820 2.884 20 30 CFEDHN C=C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876694448 642977760 /nfs/dbraw/zinc/97/77/60/642977760.db2.gz ISKPCQVESCJOCY-UHFFFAOYSA-N 0 3 286.419 2.800 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1CCC ZINC000876886027 643051719 /nfs/dbraw/zinc/05/17/19/643051719.db2.gz SXGNRSVCAGNJOE-NEPJUHHUSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CC1(c2ccccc2)CC1 ZINC000876894499 643055874 /nfs/dbraw/zinc/05/58/74/643055874.db2.gz SWBRCYWYVKBUFP-CQSZACIVSA-N 0 3 292.810 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)Cc1ccccc1C ZINC000876910634 643061360 /nfs/dbraw/zinc/06/13/60/643061360.db2.gz IALLYKDDAQUFAL-HIFRSBDPSA-N 0 3 294.826 2.854 20 30 CFEDHN C[C@@H]1CCCCN1CCNCc1cc(C#N)cnc1Cl ZINC000876931904 643070205 /nfs/dbraw/zinc/07/02/05/643070205.db2.gz YCSWNAKFLQKEHD-GFCCVEGCSA-N 0 3 292.814 2.571 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000876938929 643072790 /nfs/dbraw/zinc/07/27/90/643072790.db2.gz BVEXHDNVJIGCLF-DZGCQCFKSA-N 0 3 282.815 2.805 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)c(C)cc1OC ZINC000876961292 643083392 /nfs/dbraw/zinc/08/33/92/643083392.db2.gz DDOZSLDECKDCFM-LLVKDONJSA-N 0 3 282.771 2.720 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccc(C)cc1 ZINC000876963980 643084188 /nfs/dbraw/zinc/08/41/88/643084188.db2.gz NWCXFSOVNCMGNX-AWEZNQCLSA-N 0 3 280.799 2.813 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(CC)(C1CC1)C1CC1 ZINC000877005036 643101747 /nfs/dbraw/zinc/10/17/47/643101747.db2.gz WSFGYPRIPCASQC-LBPRGKRZSA-N 0 3 270.804 2.541 20 30 CFEDHN C=C(Br)CNC[C@@H]1CC1(Cl)Cl ZINC000877020400 643106901 /nfs/dbraw/zinc/10/69/01/643106901.db2.gz RYKNLJCPHUQZHV-LURJTMIESA-N 0 3 258.974 2.678 20 30 CFEDHN C[C@H](Cc1ccncc1)NCc1cc(C#N)cnc1Cl ZINC000877073279 643135230 /nfs/dbraw/zinc/13/52/30/643135230.db2.gz HFTJREBSHQEQBN-LLVKDONJSA-N 0 3 286.766 2.722 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000877082466 643141843 /nfs/dbraw/zinc/14/18/43/643141843.db2.gz VERMYYQFXBTSJM-VIFPVBQESA-N 0 3 298.736 2.695 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCS2)c1 ZINC000877084330 643142566 /nfs/dbraw/zinc/14/25/66/643142566.db2.gz LROGHQJHNSDYBT-NSHDSACASA-N 0 3 267.785 2.592 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCS2)c1 ZINC000877084328 643142981 /nfs/dbraw/zinc/14/29/81/643142981.db2.gz LROGHQJHNSDYBT-LLVKDONJSA-N 0 3 267.785 2.592 20 30 CFEDHN CN(C(=O)[C@H](N)CCCCC#N)c1cccc2cc[nH]c21 ZINC000877199535 643200400 /nfs/dbraw/zinc/20/04/00/643200400.db2.gz VJULYZGZRXZROD-CYBMUJFWSA-N 0 3 284.363 2.542 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCCS2)c1 ZINC000877303714 643226375 /nfs/dbraw/zinc/22/63/75/643226375.db2.gz FYXCSIQQSFRCPP-GFCCVEGCSA-N 0 3 281.812 2.982 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@@]1(N)C[C@H](OCC)C1(C)C ZINC000877303653 643226576 /nfs/dbraw/zinc/22/65/76/643226576.db2.gz LJHKSFCXZSABEE-GUYCJALGSA-N 0 3 296.455 2.628 20 30 CFEDHN C[C@@H](CC#N)NC[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000877320791 643236711 /nfs/dbraw/zinc/23/67/11/643236711.db2.gz VYYKOYOTIOHHFJ-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN C[C@H](CC#N)NC[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000877320790 643237231 /nfs/dbraw/zinc/23/72/31/643237231.db2.gz VYYKOYOTIOHHFJ-KGLIPLIRSA-N 0 3 295.427 2.915 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)cn1)C1CCCCC1 ZINC000877460391 643280793 /nfs/dbraw/zinc/28/07/93/643280793.db2.gz SPLZLPNNNLBMBK-INIZCTEOSA-N 0 3 273.380 2.638 20 30 CFEDHN CC(C)[C@H](NCc1cccc(C#N)n1)[C@H](O)c1ccccc1 ZINC000877488729 643303292 /nfs/dbraw/zinc/30/32/92/643303292.db2.gz HTNFMGOJAKBLTR-ZWKOTPCHSA-N 0 3 295.386 2.801 20 30 CFEDHN CO[C@]1(C)CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877488237 643303360 /nfs/dbraw/zinc/30/33/60/643303360.db2.gz ZYIVBXNCAZRRNR-QGZVFWFLSA-N 0 3 287.407 2.625 20 30 CFEDHN CCOP(=O)(CCCNCC1(C#N)CC1)OCC ZINC000877493501 643307383 /nfs/dbraw/zinc/30/73/83/643307383.db2.gz CVSADISQACPEMH-UHFFFAOYSA-N 0 3 274.301 2.536 20 30 CFEDHN COCC1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877499127 643311796 /nfs/dbraw/zinc/31/17/96/643311796.db2.gz YVDYAIABTFFTHA-UHFFFAOYSA-N 0 3 279.771 2.513 20 30 CFEDHN C#C[C@@H](NCCCc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000877541838 643344265 /nfs/dbraw/zinc/34/42/65/643344265.db2.gz SSADWTONAJTENA-MRXNPFEDSA-N 0 3 287.794 2.970 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1cc(C#N)cnc1Cl ZINC000877570770 643369064 /nfs/dbraw/zinc/36/90/64/643369064.db2.gz SDZNDNVOJIKETM-CQSZACIVSA-N 0 3 292.814 2.523 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877573158 643371062 /nfs/dbraw/zinc/37/10/62/643371062.db2.gz OSXGTCZPFOZQNR-LBPRGKRZSA-N 0 3 292.814 2.523 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877588368 643383172 /nfs/dbraw/zinc/38/31/72/643383172.db2.gz PIENNHBJSPWUDS-BMIGLBTASA-N 0 3 293.798 2.900 20 30 CFEDHN CCCN(Cc1cc(C#N)cnc1Cl)[C@H]1CCN(C)C1 ZINC000877604672 643391983 /nfs/dbraw/zinc/39/19/83/643391983.db2.gz FRHSSEIPYTZWJI-AWEZNQCLSA-N 0 3 292.814 2.523 20 30 CFEDHN N#Cc1ccc(CN2CCCCCCNC(=O)CC2)s1 ZINC000877686436 643455753 /nfs/dbraw/zinc/45/57/53/643455753.db2.gz WNUXMPZMOOSIAX-UHFFFAOYSA-N 0 3 291.420 2.502 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCCS2)c1 ZINC000877697493 643460957 /nfs/dbraw/zinc/46/09/57/643460957.db2.gz INWAFWJYAJCGJM-GFCCVEGCSA-N 0 3 281.812 2.982 20 30 CFEDHN CCc1ncc(CN(C)CCc2cccc(C#N)c2)cn1 ZINC000877704779 643470478 /nfs/dbraw/zinc/47/04/78/643470478.db2.gz MRKZQTSRADMWMD-UHFFFAOYSA-N 0 3 280.375 2.585 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC000877741566 643510929 /nfs/dbraw/zinc/51/09/29/643510929.db2.gz YMUGRBRLJFTISV-KBPBESRZSA-N 0 3 276.380 2.882 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)CC1 ZINC000877833565 643599217 /nfs/dbraw/zinc/59/92/17/643599217.db2.gz IVXGNKFHHWUBHO-YEORSEQZSA-N 0 3 273.767 2.888 20 30 CFEDHN C#CCCCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000878131317 643752062 /nfs/dbraw/zinc/75/20/62/643752062.db2.gz LZGUWIMGYUVGEK-QGZVFWFLSA-N 0 3 285.435 2.954 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2ncc(CC)s2)CC1 ZINC000878134411 643753978 /nfs/dbraw/zinc/75/39/78/643753978.db2.gz PLQMJYUQUQTSSE-LBPRGKRZSA-N 0 3 265.426 2.792 20 30 CFEDHN C=CC(C)(C)CC(=O)N1CCN(C2CCCC2)CC1 ZINC000878136079 643755478 /nfs/dbraw/zinc/75/54/78/643755478.db2.gz RCDNXAUVMCKYFF-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(=O)[C@@](C#N)(CCN(C)C1CCC1)c1ccccc1 ZINC000878136250 643755878 /nfs/dbraw/zinc/75/58/78/643755878.db2.gz UWQPKFRVJFAHGN-KRWDZBQOSA-N 0 3 270.376 2.911 20 30 CFEDHN CC(=O)[C@](C#N)(CCN1CCC[C@@H]1C)c1ccccc1 ZINC000878150040 643760848 /nfs/dbraw/zinc/76/08/48/643760848.db2.gz DYLXIFXKSJZLBT-WMLDXEAASA-N 0 3 270.376 2.911 20 30 CFEDHN C#CCCCCCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000878499110 643918502 /nfs/dbraw/zinc/91/85/02/643918502.db2.gz KWSPSKLSOHJVFU-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000878751247 644013947 /nfs/dbraw/zinc/01/39/47/644013947.db2.gz VRPLJQUJDFYFJR-RHSMWYFYSA-N 0 3 278.440 2.969 20 30 CFEDHN CCN(CCNC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000879035323 644120471 /nfs/dbraw/zinc/12/04/71/644120471.db2.gz JOZVXXLPBFERGR-UHFFFAOYSA-N 0 3 281.400 2.527 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879223121 644178594 /nfs/dbraw/zinc/17/85/94/644178594.db2.gz LZIOSIODNRHNLC-RYUDHWBXSA-N 0 3 254.374 2.550 20 30 CFEDHN C[C@H](CCC#N)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499714 644292355 /nfs/dbraw/zinc/29/23/55/644292355.db2.gz CACKSRSMTJPNAT-UKRRQHHQSA-N 0 3 270.380 2.558 20 30 CFEDHN C=CCCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690318 644383199 /nfs/dbraw/zinc/38/31/99/644383199.db2.gz ONJDILRAMAINDW-HNNXBMFYSA-N 0 3 257.381 2.832 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000092427878 650919520 /nfs/dbraw/zinc/91/95/20/650919520.db2.gz MLPFABPUQOVVMH-PBHICJAKSA-N 0 3 288.391 2.978 20 30 CFEDHN C[C@@]1(C(F)(F)F)CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000879999816 644489534 /nfs/dbraw/zinc/48/95/34/644489534.db2.gz BJNZRNADLRRODU-ZIAGYGMSSA-N 0 3 298.308 2.866 20 30 CFEDHN C[C@@H](CCC#N)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079506 644524379 /nfs/dbraw/zinc/52/43/79/644524379.db2.gz IWJITZXYDIMQBR-DZGCQCFKSA-N 0 3 287.363 2.636 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(OC(C)=O)CC1 ZINC000093453910 650939865 /nfs/dbraw/zinc/93/98/65/650939865.db2.gz YOUWWWMADZOQNA-UHFFFAOYSA-N 0 3 289.375 2.779 20 30 CFEDHN CCN(CC1(CC#N)CC1)[C@H](CO)c1ccccc1 ZINC000880463574 644722756 /nfs/dbraw/zinc/72/27/56/644722756.db2.gz VYRGCXDNTHKFOV-OAHLLOKOSA-N 0 3 258.365 2.736 20 30 CFEDHN C=C(Br)CN[C@@H]1CCC[C@]12CCCO2 ZINC000880510091 644742955 /nfs/dbraw/zinc/74/29/55/644742955.db2.gz YPSXNJWPRZTIED-MNOVXSKESA-N 0 3 260.175 2.586 20 30 CFEDHN Cc1nc(C#N)cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000882136620 645216650 /nfs/dbraw/zinc/21/66/50/645216650.db2.gz SMPDJXOOFKPDTI-NVXWUHKLSA-N 0 3 293.374 2.514 20 30 CFEDHN C=C(C)C[C@H](CO)Nc1ccnc2cc(OC)ccc21 ZINC000883006483 645558660 /nfs/dbraw/zinc/55/86/60/645558660.db2.gz SWIONOSBGLUKMT-GFCCVEGCSA-N 0 3 272.348 2.982 20 30 CFEDHN C=CCC[C@H](NCc1cc(C)no1)[C@@H]1CCCO1 ZINC000883186168 645648143 /nfs/dbraw/zinc/64/81/43/645648143.db2.gz MXGYILAOZRWHGK-KBPBESRZSA-N 0 3 250.342 2.586 20 30 CFEDHN C=CCC[C@H](NCc1cc(CC)no1)[C@H]1CCCO1 ZINC000883192323 645654685 /nfs/dbraw/zinc/65/46/85/645654685.db2.gz WTEMYGXHNPNIKM-LSDHHAIUSA-N 0 3 264.369 2.840 20 30 CFEDHN C=CCC[C@@H](NCc1ccc(F)cn1)[C@@H]1CCCO1 ZINC000883198224 645657737 /nfs/dbraw/zinc/65/77/37/645657737.db2.gz CQCYGSDTWBEHID-CABCVRRESA-N 0 3 264.344 2.824 20 30 CFEDHN C=CCCn1cc(CNCC[C@@H](C)CCC)nn1 ZINC000883250528 645698222 /nfs/dbraw/zinc/69/82/22/645698222.db2.gz CHCAXXATPBMOIX-ZDUSSCGKSA-N 0 3 250.390 2.770 20 30 CFEDHN C#CC1(NCc2ccc(OC)c(OC)c2)CCCC1 ZINC000883362543 645769759 /nfs/dbraw/zinc/76/97/59/645769759.db2.gz GPFFNAUPQVREJW-UHFFFAOYSA-N 0 3 259.349 2.739 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000883389038 645786562 /nfs/dbraw/zinc/78/65/62/645786562.db2.gz IZVWANQNOZSMFC-OLZOCXBDSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000883400509 645796179 /nfs/dbraw/zinc/79/61/79/645796179.db2.gz OPRSBJCACWWSLF-LBPRGKRZSA-N 0 3 293.798 2.643 20 30 CFEDHN CC(C)c1ccccc1NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884046639 646150006 /nfs/dbraw/zinc/15/00/06/646150006.db2.gz LRVZDBIDXSYEOR-FVRSWCFKSA-N 0 3 297.402 2.888 20 30 CFEDHN CCCc1ccccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884068195 646196404 /nfs/dbraw/zinc/19/64/04/646196404.db2.gz HGXJCDMUZPMONP-SWKXRBFHSA-N 0 3 297.402 2.717 20 30 CFEDHN CCCC[C@@H](CCC)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884168042 646249349 /nfs/dbraw/zinc/24/93/49/646249349.db2.gz WFYRVZPTHJLSTL-KRIMKBQASA-N 0 3 291.439 2.601 20 30 CFEDHN CC(=NOC[C@@H]1CCOC1)c1c(C)cc(N)cc1C ZINC000884453607 646368151 /nfs/dbraw/zinc/36/81/51/646368151.db2.gz UDBKZSJLLAFHIJ-CYBMUJFWSA-N 0 3 262.353 2.663 20 30 CFEDHN CC(=NNC[C@@H]1CCSC1)c1c(C)cc(N)cc1C ZINC000884470221 646375824 /nfs/dbraw/zinc/37/58/24/646375824.db2.gz IIKRXSAFWWDBGS-ZDUSSCGKSA-N 0 3 277.437 2.952 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885937834 646774334 /nfs/dbraw/zinc/77/43/34/646774334.db2.gz LKYRTDRZVJSLCH-SJORKVTESA-N 0 3 270.376 2.948 20 30 CFEDHN COc1ccccc1CN(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885942553 646777511 /nfs/dbraw/zinc/77/75/11/646777511.db2.gz PMQCLTBMTNYXPB-HNNXBMFYSA-N 0 3 288.391 2.572 20 30 CFEDHN C[C@H](c1ccncc1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886091585 646864029 /nfs/dbraw/zinc/86/40/29/646864029.db2.gz DHYVFYUEVJXDHR-UKRRQHHQSA-N 0 3 273.380 2.519 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)c(OC)c1F ZINC000886133873 646888739 /nfs/dbraw/zinc/88/87/39/646888739.db2.gz CZDUJDLGHAKQLN-OLZOCXBDSA-N 0 3 295.354 2.666 20 30 CFEDHN CSc1ccc(CNCc2n[nH]c(C)c2C)cc1C#N ZINC000886277529 646948411 /nfs/dbraw/zinc/94/84/11/646948411.db2.gz UHFQNFWIRYITCK-UHFFFAOYSA-N 0 3 286.404 2.910 20 30 CFEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc(CSC)[n-]2)C1 ZINC000886325906 646969672 /nfs/dbraw/zinc/96/96/72/646969672.db2.gz VGWGZUYKNAOQHI-GHMZBOCLSA-N 0 3 266.414 2.502 20 30 CFEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2nnc(CSC)[n-]2)C1 ZINC000886325908 646969792 /nfs/dbraw/zinc/96/97/92/646969792.db2.gz VGWGZUYKNAOQHI-QWRGUYRKSA-N 0 3 266.414 2.502 20 30 CFEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc(CSC)[n-]2)C1 ZINC000886325907 646969934 /nfs/dbraw/zinc/96/99/34/646969934.db2.gz VGWGZUYKNAOQHI-MNOVXSKESA-N 0 3 266.414 2.502 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000886363759 646987701 /nfs/dbraw/zinc/98/77/01/646987701.db2.gz CELBRLCHDAASSC-ZDUSSCGKSA-N 0 3 288.347 2.839 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000886545510 647042148 /nfs/dbraw/zinc/04/21/48/647042148.db2.gz MZHOSQMDXGSRFC-QAPCUYQASA-N 0 3 299.418 2.832 20 30 CFEDHN C#CCN(C(=O)c1csc(C)c1C)C1CCN(C)CC1 ZINC000886578647 647053258 /nfs/dbraw/zinc/05/32/58/647053258.db2.gz GJUZLZFFHPNBKI-UHFFFAOYSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C(=O)[C@H](CCC)C(C)C)C1CCN(C)CC1 ZINC000886578762 647053448 /nfs/dbraw/zinc/05/34/48/647053448.db2.gz KNLVIYVSOZBFFH-MRXNPFEDSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000886582440 647054047 /nfs/dbraw/zinc/05/40/47/647054047.db2.gz UWYFVVMKNZQFNF-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)C[C@@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000886589508 647057072 /nfs/dbraw/zinc/05/70/72/647057072.db2.gz XSCGGVGKYIBQIC-MRXNPFEDSA-N 0 3 298.430 2.736 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886674958 647104576 /nfs/dbraw/zinc/10/45/76/647104576.db2.gz VCTAPIVOMGRAQO-MRXNPFEDSA-N 0 3 278.359 2.728 20 30 CFEDHN C=CCC1(O)CCN(CCC(=O)c2ccccc2)CC1 ZINC000886776869 647133776 /nfs/dbraw/zinc/13/37/76/647133776.db2.gz RQQJIWLJYIQNMT-UHFFFAOYSA-N 0 3 273.376 2.662 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821824 647152371 /nfs/dbraw/zinc/15/23/71/647152371.db2.gz IBNCODJIMDNDBR-CVEARBPZSA-N 0 3 256.349 2.559 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822285 647154010 /nfs/dbraw/zinc/15/40/10/647154010.db2.gz OMZMPNJSLFVFQF-IAGOWNOFSA-N 0 3 255.361 2.539 20 30 CFEDHN CCN1CC[C@@H]1C/N=C/c1cc(Cl)ccc1O ZINC000887269945 647254217 /nfs/dbraw/zinc/25/42/17/647254217.db2.gz DRNGCHJWWUEFBN-AZZDOICSSA-N 0 3 252.745 2.559 20 30 CFEDHN C=C1CCC(C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000889658163 647634220 /nfs/dbraw/zinc/63/42/20/647634220.db2.gz ANFPZFCBKXATFC-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)C(=O)N1CCCC[C@H]1C ZINC000924909906 648071176 /nfs/dbraw/zinc/07/11/76/648071176.db2.gz ROTNEMCJHYKTAV-MCIONIFRSA-N 0 3 279.428 2.694 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@@H]2C)CCCCC1 ZINC000925339624 648156810 /nfs/dbraw/zinc/15/68/10/648156810.db2.gz HKJOPTQAMOISPS-KGLIPLIRSA-N 0 3 279.428 2.657 20 30 CFEDHN C#CCSCCN[C@@H]1CCc2c1nccc2Cl ZINC000925451269 648172181 /nfs/dbraw/zinc/17/21/81/648172181.db2.gz BMLUCRIQXIERHO-GFCCVEGCSA-N 0 3 266.797 2.678 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccnn1C1CCC1 ZINC000925532669 648203627 /nfs/dbraw/zinc/20/36/27/648203627.db2.gz UFTFKNANLSSFLT-CYBMUJFWSA-N 0 3 263.385 2.851 20 30 CFEDHN C=CC(C)(C)CCN[C@@H](C)c1nn(CC)nc1C ZINC000926746341 648599602 /nfs/dbraw/zinc/59/96/02/648599602.db2.gz KULXFVFCTRMDHK-NSHDSACASA-N 0 3 250.390 2.859 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(C2CC2)nn1C ZINC000927101545 648711822 /nfs/dbraw/zinc/71/18/22/648711822.db2.gz SKUNPXMVZUFIPB-NSHDSACASA-N 0 3 260.385 2.715 20 30 CFEDHN N#Cc1ccc(OC2CCN(CCOC3CC3)CC2)cc1 ZINC000929517859 649065046 /nfs/dbraw/zinc/06/50/46/649065046.db2.gz UYXLFSPWBKTGLG-UHFFFAOYSA-N 0 3 286.375 2.580 20 30 CFEDHN COc1ccccc1[C@@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000929689757 649097751 /nfs/dbraw/zinc/09/77/51/649097751.db2.gz BVQPEDFDMANAQL-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(Br)c(C)c1 ZINC000930638044 649294469 /nfs/dbraw/zinc/29/44/69/649294469.db2.gz HMCSDDOWFYCZPW-NEPJUHHUSA-N 0 3 297.196 2.586 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cncc(C(=O)OC)c2)C1 ZINC000930962168 649356459 /nfs/dbraw/zinc/35/64/59/649356459.db2.gz KVDKIWYPXWMVBG-ZDUSSCGKSA-N 0 3 274.364 2.656 20 30 CFEDHN C#CC1(O)CCN(CCSc2cccc(Cl)c2)CC1 ZINC000931151769 649387849 /nfs/dbraw/zinc/38/78/49/649387849.db2.gz SYSAJJOCMRRTKN-UHFFFAOYSA-N 0 3 295.835 2.892 20 30 CFEDHN COc1ccccc1[C@@H]1CCCN(C[C@H](O)CC#N)CC1 ZINC000931562712 649454857 /nfs/dbraw/zinc/45/48/57/649454857.db2.gz DIPPBWMLBQNGQJ-HUUCEWRRSA-N 0 3 288.391 2.539 20 30 CFEDHN C=CCCN1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794878 649489767 /nfs/dbraw/zinc/48/97/67/649489767.db2.gz OTTXUMAMIHNOSI-INIZCTEOSA-N 0 3 253.349 2.933 20 30 CFEDHN C[C@@H](CCC#N)N1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000931992792 649521497 /nfs/dbraw/zinc/52/14/97/649521497.db2.gz UIYYUUIFYGEMNZ-QWHCGFSZSA-N 0 3 295.427 2.914 20 30 CFEDHN C#CCCN1CCc2cc(OC)c(OC)cc2C12CCC2 ZINC000932085961 649535511 /nfs/dbraw/zinc/53/55/11/649535511.db2.gz ZURVOKSLZLVXBB-UHFFFAOYSA-N 0 3 285.387 2.964 20 30 CFEDHN Cc1cc(CN2CCC(c3ccn(C)n3)CC2)ccc1C#N ZINC000932141466 649549455 /nfs/dbraw/zinc/54/94/55/649549455.db2.gz CAMOIYQNQDJGHX-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN N#Cc1ccc([C@H](O)CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000932375932 649587772 /nfs/dbraw/zinc/58/77/72/649587772.db2.gz BCOIFQLVBOSSDJ-MSOLQXFVSA-N 0 3 293.370 2.728 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CCN1C ZINC000932423292 649596580 /nfs/dbraw/zinc/59/65/80/649596580.db2.gz QWNICEADZPEBJO-ZBEGNZNMSA-N 0 3 298.390 2.650 20 30 CFEDHN C=CCN1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932812425 649644815 /nfs/dbraw/zinc/64/48/15/649644815.db2.gz XOZKWAPAHQVAAM-AWEZNQCLSA-N 0 3 296.208 2.919 20 30 CFEDHN C#CCC1(NCc2ccc(Cl)nn2)CCCCC1 ZINC000933265106 649683761 /nfs/dbraw/zinc/68/37/61/649683761.db2.gz ASQFTZSZKBCEFZ-UHFFFAOYSA-N 0 3 263.772 2.946 20 30 CFEDHN C#CCC1(NCc2cc(Cl)n(C)n2)CCCCC1 ZINC000933266179 649683968 /nfs/dbraw/zinc/68/39/68/649683968.db2.gz QDDHFDGIWIHOBN-UHFFFAOYSA-N 0 3 265.788 2.889 20 30 CFEDHN C#CCC1(NCc2cc(C(=O)OC)co2)CCCCC1 ZINC000933268824 649684162 /nfs/dbraw/zinc/68/41/62/649684162.db2.gz GBXXNPJQJBJHSN-UHFFFAOYSA-N 0 3 275.348 2.882 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2C(C)=O)CCC1 ZINC000933300453 649685979 /nfs/dbraw/zinc/68/59/79/649685979.db2.gz DZCSXVAZNZIDPU-ZDUSSCGKSA-N 0 3 298.386 2.752 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2OC)CCC1 ZINC000933303488 649685999 /nfs/dbraw/zinc/68/59/99/649685999.db2.gz VZLBLFPTQHFFRY-CYBMUJFWSA-N 0 3 286.375 2.558 20 30 CFEDHN C#Cc1ccc(NC(=O)NC[C@H]2CCCN2C)c(Cl)c1 ZINC000933355113 649687789 /nfs/dbraw/zinc/68/77/89/649687789.db2.gz PAZUINPMHWPPSM-GFCCVEGCSA-N 0 3 291.782 2.537 20 30 CFEDHN CN(CCC[C@@H]1CCOC1)Cc1cc(C#N)cs1 ZINC000933770578 649720600 /nfs/dbraw/zinc/72/06/00/649720600.db2.gz LNTALTFIAIVMRH-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN CN1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)C1 ZINC000933841966 649724180 /nfs/dbraw/zinc/72/41/80/649724180.db2.gz WNAWCERWDXGIEX-CQSZACIVSA-N 0 3 298.390 2.651 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]1C1OCCO1 ZINC000933895390 649729562 /nfs/dbraw/zinc/72/95/62/649729562.db2.gz OVTCXHSODDFADH-MRXNPFEDSA-N 0 3 286.375 2.512 20 30 CFEDHN C=C(Br)CN[C@@H](C)Cc1cccnc1 ZINC000934233196 649764790 /nfs/dbraw/zinc/76/47/90/649764790.db2.gz FBAUQRSSRSZIQF-JTQLQIEISA-N 0 3 255.159 2.511 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006744717 651129133 /nfs/dbraw/zinc/12/91/33/651129133.db2.gz JTGAGGRSSKLTBM-NSHDSACASA-N 0 3 282.771 2.703 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001007305617 651133611 /nfs/dbraw/zinc/13/36/11/651133611.db2.gz XAFFKZOUHWUHLL-OAHLLOKOSA-N 0 3 262.397 2.644 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001008421792 651147766 /nfs/dbraw/zinc/14/77/66/651147766.db2.gz KJGNUTSRJIDFTB-NSHDSACASA-N 0 3 282.771 2.703 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001008669888 651152005 /nfs/dbraw/zinc/15/20/05/651152005.db2.gz GLHNPLBYBNABSY-CQSZACIVSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001008753165 651152666 /nfs/dbraw/zinc/15/26/66/651152666.db2.gz IDXCRDMBQNZKHK-ZDUSSCGKSA-N 0 3 291.395 2.568 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001009260768 651157548 /nfs/dbraw/zinc/15/75/48/651157548.db2.gz OFMRVFYFPPBZEQ-SJLPKXTDSA-N 0 3 298.430 2.702 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001009286153 651158781 /nfs/dbraw/zinc/15/87/81/651158781.db2.gz IRBFIURKSSAFCE-ZDUSSCGKSA-N 0 3 293.798 2.505 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009310577 651158852 /nfs/dbraw/zinc/15/88/52/651158852.db2.gz YZTHCHLZUJRXAI-HNNXBMFYSA-N 0 3 290.794 2.558 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001009395384 651160282 /nfs/dbraw/zinc/16/02/82/651160282.db2.gz MWCQIKNBXPNUKT-MRXNPFEDSA-N 0 3 284.403 2.521 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001009580426 651161608 /nfs/dbraw/zinc/16/16/08/651161608.db2.gz RRGLALHXJPQYKL-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010549450 651178076 /nfs/dbraw/zinc/17/80/76/651178076.db2.gz ZLAISHJTDLECTD-CYBMUJFWSA-N 0 3 266.360 2.551 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014550728 651188633 /nfs/dbraw/zinc/18/86/33/651188633.db2.gz NRASSCPTSNVVQQ-AWEZNQCLSA-N 0 3 296.370 2.569 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001014591881 651189837 /nfs/dbraw/zinc/18/98/37/651189837.db2.gz XJAWGOYOVADGAV-INIZCTEOSA-N 0 3 286.419 2.613 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001015149539 651195935 /nfs/dbraw/zinc/19/59/35/651195935.db2.gz OAMDNSWCSQAYSJ-OAHLLOKOSA-N 0 3 289.423 2.505 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015332109 651199123 /nfs/dbraw/zinc/19/91/23/651199123.db2.gz LMFTUQVDASNRLE-ZIFCJYIRSA-N 0 3 298.430 2.731 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015645206 651207498 /nfs/dbraw/zinc/20/74/98/651207498.db2.gz DWYKTSVQGPLZHE-HNNXBMFYSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811439 651214963 /nfs/dbraw/zinc/21/49/63/651214963.db2.gz GNTLNBVPCWHGRO-OLZOCXBDSA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015928419 651217575 /nfs/dbraw/zinc/21/75/75/651217575.db2.gz DGONOCBTMHFMHS-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995443 651220125 /nfs/dbraw/zinc/22/01/25/651220125.db2.gz VHXFXOKYNZUOPN-SFHVURJKSA-N 0 3 296.414 2.782 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016012899 651220770 /nfs/dbraw/zinc/22/07/70/651220770.db2.gz IJFXCWMVJXLBII-NVXWUHKLSA-N 0 3 286.419 2.865 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016142498 651226005 /nfs/dbraw/zinc/22/60/05/651226005.db2.gz VOPYTRFYIMEVEB-HNNXBMFYSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016198344 651228089 /nfs/dbraw/zinc/22/80/89/651228089.db2.gz QLCKCDUNIFIZCG-CYBMUJFWSA-N 0 3 278.421 2.745 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001016290018 651229579 /nfs/dbraw/zinc/22/95/79/651229579.db2.gz DWRKMWTZWBYQLT-CYBMUJFWSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCN1CCC2(C[C@@H]2NC(=O)CC2CCCCC2)CC1 ZINC001016486107 651235440 /nfs/dbraw/zinc/23/54/40/651235440.db2.gz RJEXKUFFOGKJRC-INIZCTEOSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2CCCCCC2)CC1 ZINC001016537160 651236856 /nfs/dbraw/zinc/23/68/56/651236856.db2.gz BMKUKNIIHOSYKK-MRXNPFEDSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2(C)CCCCC2)CC1 ZINC001016812139 651241157 /nfs/dbraw/zinc/24/11/57/651241157.db2.gz YXGFVEIYOSUHGK-HNNXBMFYSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2cc(C)ccc2C)CC1 ZINC001016947599 651242780 /nfs/dbraw/zinc/24/27/80/651242780.db2.gz MEQXGMIOVNVLPE-KRWDZBQOSA-N 0 3 296.414 2.521 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2cccc(C)c2C)CC1 ZINC001016953441 651242834 /nfs/dbraw/zinc/24/28/34/651242834.db2.gz OMZPHXCGHPLHSH-QGZVFWFLSA-N 0 3 296.414 2.521 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001017343131 651250477 /nfs/dbraw/zinc/25/04/77/651250477.db2.gz CWPVXGCSNDYSPJ-HRCADAONSA-N 0 3 274.408 2.594 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001017343132 651250523 /nfs/dbraw/zinc/25/05/23/651250523.db2.gz CWPVXGCSNDYSPJ-OAGGEKHMSA-N 0 3 274.408 2.594 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001017367779 651250914 /nfs/dbraw/zinc/25/09/14/651250914.db2.gz UPUSZPJZVHPHJR-GASCZTMLSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1C(C)(C)C1(C)C ZINC001017447681 651251978 /nfs/dbraw/zinc/25/19/78/651251978.db2.gz GLIJARZCHFMODI-OKILXGFUSA-N 0 3 290.451 2.920 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001017836797 651259647 /nfs/dbraw/zinc/25/96/47/651259647.db2.gz KPWPOWNYGGULJK-JGAFCMAOSA-N 0 3 288.435 2.674 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)c2sc3ccccc3c2C)C1 ZINC001019115301 651279451 /nfs/dbraw/zinc/27/94/51/651279451.db2.gz YOTSKBAZKSAKGJ-ZDUSSCGKSA-N 0 3 298.411 2.647 20 30 CFEDHN C[C@H]1CN(c2ccc(C3(C#N)CCC3)cn2)[C@@H](C)CN1C ZINC001164640723 719197412 /nfs/dbraw/zinc/19/74/12/719197412.db2.gz VQCVOLIZKSZLPO-KBPBESRZSA-N 0 3 284.407 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001086013202 782240403 /nfs/dbraw/zinc/24/04/03/782240403.db2.gz KEQPMVCDSRLNLR-VDISTLRHSA-N 0 3 296.773 2.676 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001086017340 782240447 /nfs/dbraw/zinc/24/04/47/782240447.db2.gz WELLIHGQJNFFLI-XBXGTLAGSA-N 0 3 284.831 2.804 20 30 CFEDHN C[C@H](N)c1nc2ccccc2n1-c1ccc(Cl)c(C#N)n1 ZINC001155248907 782256380 /nfs/dbraw/zinc/25/63/80/782256380.db2.gz ZTXLSXCEBCVLPV-VIFPVBQESA-N 0 3 297.749 2.965 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)C[C@H]1CCCCO1 ZINC001266416719 770111874 /nfs/dbraw/zinc/11/18/74/770111874.db2.gz LIOYSOJWHFTAIE-NVXWUHKLSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2F)[C@H]1CC ZINC001087849021 777722955 /nfs/dbraw/zinc/72/29/55/777722955.db2.gz AUGMPODWVRKSPJ-LSDHHAIUSA-N 0 3 290.382 2.903 20 30 CFEDHN C=CCCCN1CC[C@H]2C[C@]21C(=O)NC1CCC(F)CC1 ZINC001277779443 777830133 /nfs/dbraw/zinc/83/01/33/777830133.db2.gz HMPIFYMPODCUJZ-PBMMVSLJSA-N 0 3 294.414 2.814 20 30 CFEDHN COc1ccc(CN2CCC3SC(=O)C=C3C2)c(F)c1 ZINC001204908026 778512299 /nfs/dbraw/zinc/51/22/99/778512299.db2.gz VKTTWLHWOFYRGT-CQSZACIVSA-N 0 3 293.363 2.608 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033947103 780835085 /nfs/dbraw/zinc/83/50/85/780835085.db2.gz JJOKYNHGRXFYQV-GFCCVEGCSA-N 0 3 295.814 2.781 20 30 CFEDHN CCCCCCCN1CC[C@H](NC(=O)[C@H](C)SC)C1 ZINC001266304872 769941982 /nfs/dbraw/zinc/94/19/82/769941982.db2.gz GWCPIUKGMJETOI-KBPBESRZSA-N 0 3 286.485 2.899 20 30 CFEDHN C=CCCCCCN1CC[C@H](NC(=O)c2conc2C)C1 ZINC001266338716 769983415 /nfs/dbraw/zinc/98/34/15/769983415.db2.gz BBRFOJVKIJNTFQ-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN CC#CCN1CC[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001041568365 770012313 /nfs/dbraw/zinc/01/23/13/770012313.db2.gz KAIYWHHFCKLBQF-QGZVFWFLSA-N 0 3 288.435 2.514 20 30 CFEDHN C=CCCCCN1CCN(c2cccc(OCC)n2)CC1 ZINC001209206984 770013441 /nfs/dbraw/zinc/01/34/41/770013441.db2.gz FVQHEKMBLBTFIV-UHFFFAOYSA-N 0 3 289.423 2.959 20 30 CFEDHN C=CCN(C)CCNC(=O)c1cc2c(cccc2C)o1 ZINC001266364777 770031913 /nfs/dbraw/zinc/03/19/13/770031913.db2.gz BBZWNDFTZHWFAF-UHFFFAOYSA-N 0 3 272.348 2.589 20 30 CFEDHN C=CCN(CC)CCNC(=O)C1=CCCCCC1 ZINC001266386009 770057795 /nfs/dbraw/zinc/05/77/95/770057795.db2.gz OGPGBFSEDHURIV-UHFFFAOYSA-N 0 3 250.386 2.501 20 30 CFEDHN C=CCCCCCCCN1CCC2(C1)OCCO2 ZINC001209439660 770091792 /nfs/dbraw/zinc/09/17/92/770091792.db2.gz VBCJXFFWPURLFA-UHFFFAOYSA-N 0 3 253.386 2.962 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1ccccc1-n1cccc1 ZINC001266412971 770106227 /nfs/dbraw/zinc/10/62/27/770106227.db2.gz FXMDDBLAPBVHER-UHFFFAOYSA-N 0 3 297.402 2.715 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN(CC)C[C@@H]1CCCCO1 ZINC001266416718 770111553 /nfs/dbraw/zinc/11/15/53/770111553.db2.gz LIOYSOJWHFTAIE-DOTOQJQBSA-N 0 3 296.455 2.596 20 30 CFEDHN Cc1c(C#N)c(N[C@H]2CCN(C)C2)nc2ccccc12 ZINC001167273004 770195709 /nfs/dbraw/zinc/19/57/09/770195709.db2.gz MLNSSRUVJBFUIL-LBPRGKRZSA-N 0 3 266.348 2.531 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](F)c1ccccc1 ZINC001266483335 770199352 /nfs/dbraw/zinc/19/93/52/770199352.db2.gz UDGVMPFNTOIMJD-CVEARBPZSA-N 0 3 290.382 2.854 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001167280355 770205402 /nfs/dbraw/zinc/20/54/02/770205402.db2.gz ZPSCFKOIJJXISM-CHWSQXEVSA-N 0 3 284.831 2.661 20 30 CFEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178149 770247058 /nfs/dbraw/zinc/24/70/58/770247058.db2.gz MDFDZYIIEJEVFR-DLBZAZTESA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178151 770247550 /nfs/dbraw/zinc/24/75/50/770247550.db2.gz MDFDZYIIEJEVFR-IRXDYDNUSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1cccc(OCC)c1 ZINC001167339944 770315172 /nfs/dbraw/zinc/31/51/72/770315172.db2.gz HUZVCWUZHQDUFS-UHFFFAOYSA-N 0 3 296.798 2.547 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001038195719 770323881 /nfs/dbraw/zinc/32/38/81/770323881.db2.gz TVGXJMXBXJQPSU-OAHLLOKOSA-N 0 3 262.397 2.644 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001266560080 770338537 /nfs/dbraw/zinc/33/85/37/770338537.db2.gz ZSUYUOFKJNXHBI-HOTGVXAUSA-N 0 3 294.414 2.509 20 30 CFEDHN C#CCN(CCC)CCNC(=O)C[C@H](C)c1ccccc1 ZINC001266577256 770365943 /nfs/dbraw/zinc/36/59/43/770365943.db2.gz CSJBRVHQQWYAHW-INIZCTEOSA-N 0 3 286.419 2.642 20 30 CFEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)oc1C ZINC001204533234 770398152 /nfs/dbraw/zinc/39/81/52/770398152.db2.gz JQZVUSPNKWHXAH-ZDUSSCGKSA-N 0 3 263.362 2.671 20 30 CFEDHN C=CC[C@H](C(=O)OC)N1CCC[C@@]2(CC=CCC2)C1 ZINC001167381889 770402526 /nfs/dbraw/zinc/40/25/26/770402526.db2.gz RQNMHIPCNGSGMX-ZBFHGGJFSA-N 0 3 263.381 2.926 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)CC(C)(C)C ZINC001266643112 770477773 /nfs/dbraw/zinc/47/77/73/770477773.db2.gz OPGABHBYFLOIMU-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)c1ccco1 ZINC001266857440 770682863 /nfs/dbraw/zinc/68/28/63/770682863.db2.gz MVKFZFCRIIOKCF-CABCVRRESA-N 0 3 290.407 2.930 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1cccc(-c2ccoc2)c1 ZINC001266959379 770769686 /nfs/dbraw/zinc/76/96/86/770769686.db2.gz SKTUDUCQQAOUTC-UHFFFAOYSA-N 0 3 296.370 2.632 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724092816 770782693 /nfs/dbraw/zinc/78/26/93/770782693.db2.gz OWAIVCPNRBACAX-MGPQQGTHSA-N 0 3 295.427 2.962 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724092814 770782740 /nfs/dbraw/zinc/78/27/40/770782740.db2.gz OWAIVCPNRBACAX-MCIONIFRSA-N 0 3 295.427 2.962 20 30 CFEDHN CC#CCN[C@@H](C)CNC(=O)c1c2ccccc2oc1CC ZINC001266994332 770792230 /nfs/dbraw/zinc/79/22/30/770792230.db2.gz LIYNDSKPWMIDFA-ZDUSSCGKSA-N 0 3 298.386 2.726 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H](NC/C=C/Cl)C2)CCC1 ZINC001267018697 770817247 /nfs/dbraw/zinc/81/72/47/770817247.db2.gz IFKYNYSSQOYGES-FAFAAHBOSA-N 0 3 282.815 2.676 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1sccc1C(C)C ZINC001267110177 770910330 /nfs/dbraw/zinc/91/03/30/770910330.db2.gz VNPKQPWZCXMZSX-UHFFFAOYSA-N 0 3 278.421 2.556 20 30 CFEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)NCC(=C)Cl)cc1 ZINC001267139616 770934914 /nfs/dbraw/zinc/93/49/14/770934914.db2.gz JRNBYMRUBCKAMT-CYBMUJFWSA-N 0 3 290.794 2.518 20 30 CFEDHN C#CCCN(C)CCNC(=O)c1cc(Cl)ccc1Cl ZINC001267227162 773230505 /nfs/dbraw/zinc/23/05/05/773230505.db2.gz FPJGWUMXWOLPAA-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN CC#CCN[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1c1ccccc1 ZINC001211569523 773231448 /nfs/dbraw/zinc/23/14/48/773231448.db2.gz RICUIVFTZQGAIA-ISSVYOCRSA-N 0 3 296.414 2.560 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccc(OC(C)C)cc1 ZINC001267230364 773232134 /nfs/dbraw/zinc/23/21/34/773232134.db2.gz XNCWUUZIUYXZPD-UHFFFAOYSA-N 0 3 290.407 2.712 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001267232395 773235188 /nfs/dbraw/zinc/23/51/88/773235188.db2.gz GKEHWRNDWDEXON-INIZCTEOSA-N 0 3 264.413 2.747 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1ccn(C(C)C)c1C ZINC001267249109 775099926 /nfs/dbraw/zinc/09/99/26/775099926.db2.gz LJIPWXNEDJUEDQ-UHFFFAOYSA-N 0 3 277.412 2.615 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001267296251 775168497 /nfs/dbraw/zinc/16/84/97/775168497.db2.gz JRVCFNKWOMONCE-OAHLLOKOSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001267303323 775176039 /nfs/dbraw/zinc/17/60/39/775176039.db2.gz LULBAHDBHBWPBX-JKSUJKDBSA-N 0 3 278.440 2.664 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001267307281 775182298 /nfs/dbraw/zinc/18/22/98/775182298.db2.gz PKOHUIYPTTVTIK-JKSUJKDBSA-N 0 3 278.440 2.520 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)c1c(C)cccc1C ZINC001267317693 775196663 /nfs/dbraw/zinc/19/66/63/775196663.db2.gz IXLVFMAEIYXDIY-UHFFFAOYSA-N 0 3 286.419 2.769 20 30 CFEDHN C=C(C)CN(CCNC(=O)C(F)=C1CCCC1)C1CC1 ZINC001267322927 775202979 /nfs/dbraw/zinc/20/29/79/775202979.db2.gz DAPJCEYBFNPJJO-UHFFFAOYSA-N 0 3 280.387 2.941 20 30 CFEDHN C=C(C)CN(CCNC(=O)C=C(CC)CC)C1CC1 ZINC001267323130 775203127 /nfs/dbraw/zinc/20/31/27/775203127.db2.gz HPVNUXXIEKVGNC-UHFFFAOYSA-N 0 3 264.413 2.890 20 30 CFEDHN C=C(C)CN[C@@H](CNC(=O)CCC)c1ccccc1 ZINC001267345089 775232165 /nfs/dbraw/zinc/23/21/65/775232165.db2.gz BBLSTENTZCASSL-HNNXBMFYSA-N 0 3 260.381 2.810 20 30 CFEDHN Fc1ccccc1C=NOCCN1CCCCC1 ZINC000588596059 775248421 /nfs/dbraw/zinc/24/84/21/775248421.db2.gz LAZPKBDAJGSPMW-UHFFFAOYSA-N 0 3 250.317 2.662 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@H](C)CC(C)C)CC1 ZINC001225143430 775354766 /nfs/dbraw/zinc/35/47/66/775354766.db2.gz ZSLDJNMUWKUFKM-OAHLLOKOSA-N 0 3 278.440 2.520 20 30 CFEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@H]21 ZINC001042173263 775366666 /nfs/dbraw/zinc/36/66/66/775366666.db2.gz NDCUTRTVGFNRCI-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCCN[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC001267517860 775413006 /nfs/dbraw/zinc/41/30/06/775413006.db2.gz UJMZPPXXCHKXNR-XDNAFOTISA-N 0 3 296.414 2.503 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267540139 775448234 /nfs/dbraw/zinc/44/82/34/775448234.db2.gz SQZXIHQGOIMNBR-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)NCc1cccnc1 ZINC001283665505 775499419 /nfs/dbraw/zinc/49/94/19/775499419.db2.gz KYFPKSYOOXELBW-CABCVRRESA-N 0 3 289.423 2.620 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038322701 775535027 /nfs/dbraw/zinc/53/50/27/775535027.db2.gz NWAMLTKBIWXHHV-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025190879 775564263 /nfs/dbraw/zinc/56/42/63/775564263.db2.gz CEXCMFFASYFACU-HOTGVXAUSA-N 0 3 276.424 2.511 20 30 CFEDHN N#Cc1ccc(OC2CCN(C3CC3)CC2)c(F)c1 ZINC001226049141 775680437 /nfs/dbraw/zinc/68/04/37/775680437.db2.gz HQGIPPFLADQLLH-UHFFFAOYSA-N 0 3 260.312 2.703 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC001025609171 775707713 /nfs/dbraw/zinc/70/77/13/775707713.db2.gz FIDQNHZHFXQMMH-SJORKVTESA-N 0 3 298.430 2.767 20 30 CFEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCOCCC#N ZINC000294670151 775757439 /nfs/dbraw/zinc/75/74/39/775757439.db2.gz RULOJUJRNPSUQA-GFCCVEGCSA-N 0 3 278.400 2.527 20 30 CFEDHN CC(C)N1CC[C@@H](Oc2nc(C3CC3)ccc2C#N)C1 ZINC001226262083 775760502 /nfs/dbraw/zinc/76/05/02/775760502.db2.gz DOYOFZZJRBWBOB-CQSZACIVSA-N 0 3 271.364 2.692 20 30 CFEDHN C=CCCCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001267733803 775827809 /nfs/dbraw/zinc/82/78/09/775827809.db2.gz FARFBFXVFPVYAB-NSHDSACASA-N 0 3 298.333 2.988 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038356769 775840433 /nfs/dbraw/zinc/84/04/33/775840433.db2.gz LKNCIGQXJYKMNU-CYBMUJFWSA-N 0 3 294.345 2.735 20 30 CFEDHN CC[C@@H](C#Cc1ccccc1)Oc1ccnc(N)c1 ZINC001226653382 775905578 /nfs/dbraw/zinc/90/55/78/775905578.db2.gz IMWFUNWYWIHQAY-AWEZNQCLSA-N 0 3 252.317 2.873 20 30 CFEDHN C=CCCC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001267781894 775926661 /nfs/dbraw/zinc/92/66/61/775926661.db2.gz OLTLLBIRVIVXLM-OAHLLOKOSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCc2cccs2)C1 ZINC001267790173 775931157 /nfs/dbraw/zinc/93/11/57/775931157.db2.gz NKYCVDRVKATLIM-CQSZACIVSA-N 0 3 292.448 2.790 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001267883732 776011918 /nfs/dbraw/zinc/01/19/18/776011918.db2.gz KIOKRLSCLNPYEH-HNNXBMFYSA-N 0 3 296.842 2.617 20 30 CFEDHN CC#CCNC1(CNC(=O)c2ccc(Cl)cc2C)CC1 ZINC001277165158 776012361 /nfs/dbraw/zinc/01/23/61/776012361.db2.gz VBGDSKLJDLMGDU-UHFFFAOYSA-N 0 3 290.794 2.524 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2cc(C#N)ccc2F)C1 ZINC001227058196 776078476 /nfs/dbraw/zinc/07/84/76/776078476.db2.gz NOWPGIDUGRQPJS-CYBMUJFWSA-N 0 3 262.328 2.949 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2c(F)cccc2C#N)C1 ZINC001227287332 776170073 /nfs/dbraw/zinc/17/00/73/776170073.db2.gz IWCXWEGPPGIWJB-CYBMUJFWSA-N 0 3 262.328 2.949 20 30 CFEDHN CC(C)(C)[NH+]1CCC(Oc2cc(C#N)ccc2[O-])CC1 ZINC001227351715 776183048 /nfs/dbraw/zinc/18/30/48/776183048.db2.gz XVSCPNXNDCNUGF-UHFFFAOYSA-N 0 3 274.364 2.906 20 30 CFEDHN C[NH+](C)C1CCC(Oc2cc(C#N)ccc2[O-])CC1 ZINC001227350553 776183132 /nfs/dbraw/zinc/18/31/32/776183132.db2.gz ODABGVOGBGWLIH-UHFFFAOYSA-N 0 3 260.337 2.515 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001027596677 776373168 /nfs/dbraw/zinc/37/31/68/776373168.db2.gz YHSPONVRNSWHRM-WMZOPIPTSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001228130212 776403385 /nfs/dbraw/zinc/40/33/85/776403385.db2.gz NFHGLVNDIHGEMB-MGPQQGTHSA-N 0 3 270.392 2.575 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001027698249 776412870 /nfs/dbraw/zinc/41/28/70/776412870.db2.gz GIPYZXOYZDMIFZ-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCc1cc(OC)c(O[C@H]2CCN(CC)C2)c(OC)c1 ZINC001228427247 776488049 /nfs/dbraw/zinc/48/80/49/776488049.db2.gz FNGIWSGBSVUKIM-AWEZNQCLSA-N 0 3 291.391 2.905 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(F)c1C ZINC001027898161 776499664 /nfs/dbraw/zinc/49/96/64/776499664.db2.gz FJWMDLWYETZXNY-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001027906804 776503846 /nfs/dbraw/zinc/50/38/46/776503846.db2.gz RBCGJBHEVZFYPG-CQSZACIVSA-N 0 3 290.432 2.582 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001027922826 776512984 /nfs/dbraw/zinc/51/29/84/776512984.db2.gz IVZGLSAYBRJVAO-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001028013956 776556256 /nfs/dbraw/zinc/55/62/56/776556256.db2.gz VWPKFTMOSVLLGF-CQSZACIVSA-N 0 3 297.402 2.857 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001028017938 776557679 /nfs/dbraw/zinc/55/76/79/776557679.db2.gz HZBXVKLDXFMUDN-QGZVFWFLSA-N 0 3 298.430 2.857 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)CNCc1cncs1 ZINC001268086105 776560847 /nfs/dbraw/zinc/56/08/47/776560847.db2.gz WNGLQWDFTRDSIU-IUODEOHRSA-N 0 3 295.452 2.682 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)CC(C)=C(C)C)CC1 ZINC001228678119 776564742 /nfs/dbraw/zinc/56/47/42/776564742.db2.gz DEDBRNBQRYFVCV-UHFFFAOYSA-N 0 3 294.439 2.516 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043575 776569226 /nfs/dbraw/zinc/56/92/26/776569226.db2.gz RYSKLGXXRYNVTF-FZKCQIBNSA-N 0 3 276.424 2.579 20 30 CFEDHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(C#N)cc1 ZINC000030532400 776660743 /nfs/dbraw/zinc/66/07/43/776660743.db2.gz NULMXEUCEIBWJA-BXUZGUMPSA-N 0 3 256.305 2.535 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001028148301 776661969 /nfs/dbraw/zinc/66/19/69/776661969.db2.gz BCMGIIMMEIDZQN-OAHLLOKOSA-N 0 3 297.402 2.938 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001028158235 776668921 /nfs/dbraw/zinc/66/89/21/776668921.db2.gz ZJSJKYZBJRTAGH-MRXNPFEDSA-N 0 3 284.403 2.521 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001028158234 776669621 /nfs/dbraw/zinc/66/96/21/776669621.db2.gz ZJSJKYZBJRTAGH-INIZCTEOSA-N 0 3 284.403 2.521 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001028178342 776682833 /nfs/dbraw/zinc/68/28/33/776682833.db2.gz PKMQWYRYALJYHJ-KRWDZBQOSA-N 0 3 297.402 2.710 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@]1(C)CCC[C@@H]1CC ZINC001268240985 776717055 /nfs/dbraw/zinc/71/70/55/776717055.db2.gz SFZQWMNMXBXDLO-DOTOQJQBSA-N 0 3 278.440 2.616 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc(F)ccc1CC ZINC001268241875 776718611 /nfs/dbraw/zinc/71/86/11/776718611.db2.gz BPBKKOSSZAYCKZ-UHFFFAOYSA-N 0 3 292.398 2.968 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C1(C2CCC2)CCC1 ZINC001268243494 776718705 /nfs/dbraw/zinc/71/87/05/776718705.db2.gz LVLIYNXOFLVZTH-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CCCCC(=O)N(C)CCN(C)CC=C(C)C ZINC001268248339 776720507 /nfs/dbraw/zinc/72/05/07/776720507.db2.gz YGXDETAALXCDMG-UHFFFAOYSA-N 0 3 252.402 2.699 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)CCN(C)C[C@@H]1CCCCO1 ZINC001268249701 776720858 /nfs/dbraw/zinc/72/08/58/776720858.db2.gz CQADRSINGSZJHJ-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001268251352 776722332 /nfs/dbraw/zinc/72/23/32/776722332.db2.gz YIRAONSUDAZZHK-UHFFFAOYSA-N 0 3 296.773 2.506 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1oc(C(C)C)nc1C ZINC001167891388 776727304 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776791606 /nfs/dbraw/zinc/79/16/06/776791606.db2.gz XBXHDTBIYTXZLT-CYBMUJFWSA-N 0 3 293.798 2.505 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001028304986 776847921 /nfs/dbraw/zinc/84/79/21/776847921.db2.gz DMYUGMRDTYCZBL-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC001229599546 776854129 /nfs/dbraw/zinc/85/41/29/776854129.db2.gz GTANKNAUPHPYNF-CYBMUJFWSA-N 0 3 289.335 2.718 20 30 CFEDHN CC#CCNCCN(CC)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001268469177 776856320 /nfs/dbraw/zinc/85/63/20/776856320.db2.gz VCGJGBBOLBWEHM-UHFFFAOYSA-N 0 3 297.402 2.551 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2oc(C)nc21 ZINC001028341445 776863867 /nfs/dbraw/zinc/86/38/67/776863867.db2.gz KYUVDRBEWWJAFZ-ZDUSSCGKSA-N 0 3 299.374 2.516 20 30 CFEDHN N#CCCNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000426005815 776882597 /nfs/dbraw/zinc/88/25/97/776882597.db2.gz ZAMQVOOFQLZAPU-UHFFFAOYSA-N 0 3 295.789 2.947 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C(C)(F)F 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C=CCCCCCN1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230797550 777066980 /nfs/dbraw/zinc/06/69/80/777066980.db2.gz DRCGRVIXVPLQOQ-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cn[nH]c1 ZINC001230843653 777073224 /nfs/dbraw/zinc/07/32/24/777073224.db2.gz ACSOPAMDGGIKRI-OAHLLOKOSA-N 0 3 292.427 2.526 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(F)F ZINC001268969767 777080372 /nfs/dbraw/zinc/08/03/72/777080372.db2.gz JXCGZBOLRGIWPG-AVGNSLFASA-N 0 3 286.366 2.529 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001269172216 777127685 /nfs/dbraw/zinc/12/76/85/777127685.db2.gz JLTJLTFKZXRZNS-CABCVRRESA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1occc1C ZINC001269195171 777135580 /nfs/dbraw/zinc/13/55/80/777135580.db2.gz MMGJOJSYPRNQSW-UONOGXRCSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)OC ZINC001231112324 777143885 /nfs/dbraw/zinc/14/38/85/777143885.db2.gz BGCQOQLPEBVQHI-CVEARBPZSA-N 0 3 296.455 2.691 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2.663 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC2(CCCO2)CC1 ZINC001231618651 777280901 /nfs/dbraw/zinc/28/09/01/777280901.db2.gz QTAQFBUWPGBUAP-UHFFFAOYSA-N 0 3 286.375 2.712 20 30 CFEDHN C=CCOc1cccc(CN(C)CCC(=O)OCC)c1 ZINC001231625132 777284220 /nfs/dbraw/zinc/28/42/20/777284220.db2.gz NZXCPALKYKHTGV-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)C[C@@H]2C=CCCC2)cc1 ZINC001270065838 777300833 /nfs/dbraw/zinc/30/08/33/777300833.db2.gz ZAQPGAJVCOBYEV-MRXNPFEDSA-N 0 3 296.414 2.772 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(C(C)(C)C)c2)C1 ZINC001028882226 777304284 /nfs/dbraw/zinc/30/42/84/777304284.db2.gz FSRLPOMFCVQETH-OAHLLOKOSA-N 0 3 298.430 2.669 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc3ccsc32)C1 ZINC001028911556 777318477 /nfs/dbraw/zinc/31/84/77/777318477.db2.gz VUBIQPZSEHTXCN-ZDUSSCGKSA-N 0 3 298.411 2.586 20 30 CFEDHN C#CCN(C(=O)[C@@H]1C[C@H]1CC)C1CCN(CC(=C)C)CC1 ZINC001270346040 777359255 /nfs/dbraw/zinc/35/92/55/777359255.db2.gz XFAPVKMIEYBSLO-NVXWUHKLSA-N 0 3 288.435 2.535 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001075753135 777364752 /nfs/dbraw/zinc/36/47/52/777364752.db2.gz CIDJUPFHIKOLGH-LSDHHAIUSA-N 0 3 288.391 2.619 20 30 CFEDHN O=C1C=C2CN(Cc3ccnc(C(F)F)c3)CCC2S1 ZINC001231891356 777368512 /nfs/dbraw/zinc/36/85/12/777368512.db2.gz UGYFOFNFSGTEBA-GFCCVEGCSA-N 0 3 296.342 2.793 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001029009676 777375723 /nfs/dbraw/zinc/37/57/23/777375723.db2.gz UMXYTJJAVOLDFY-CYBMUJFWSA-N 0 3 290.432 2.556 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001029011933 777377849 /nfs/dbraw/zinc/37/78/49/777377849.db2.gz DLEVHRBHRRPEQB-FHERZECASA-N 0 3 290.451 2.520 20 30 CFEDHN O=C1C=C2CN(Cc3cc(Cl)cnc3F)CCC2S1 ZINC001231991934 777402986 /nfs/dbraw/zinc/40/29/86/777402986.db2.gz CMDXPKCDWHSYFW-NSHDSACASA-N 0 3 298.770 2.648 20 30 CFEDHN C#CCN(C)Cc1c[nH]c2c1cccc2Br ZINC001232019261 777414381 /nfs/dbraw/zinc/41/43/81/777414381.db2.gz HMXXAGUEKMRUKY-UHFFFAOYSA-N 0 3 277.165 2.995 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)Cc2cccc(F)c2)C1 ZINC001270650712 777441695 /nfs/dbraw/zinc/44/16/95/777441695.db2.gz XGXIDNVXJPNTRX-KRWDZBQOSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CC(C)(C)C3CC3)[C@@H]2C1 ZINC001075764428 777444644 /nfs/dbraw/zinc/44/46/44/777444644.db2.gz WBQOLSSTMCNYJU-DZGCQCFKSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CC(C)(C)CC(=O)NCC1(NCCF)CCCC1 ZINC001270749195 777472735 /nfs/dbraw/zinc/47/27/35/777472735.db2.gz MGWWNVJIJFBFPJ-UHFFFAOYSA-N 0 3 270.392 2.577 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](CC)SC)C(C)(C)C1 ZINC001281547026 777488125 /nfs/dbraw/zinc/48/81/25/777488125.db2.gz PFRROAKFFCQVEJ-CHWSQXEVSA-N 0 3 284.469 2.531 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)/C=C(/C)CC)CC2 ZINC001270845748 777516010 /nfs/dbraw/zinc/51/60/10/777516010.db2.gz VONBVIWMMKGYME-GDNBJRDFSA-N 0 3 276.424 2.843 20 30 CFEDHN Cc1ncc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)[nH]1 ZINC001232464367 777568780 /nfs/dbraw/zinc/56/87/80/777568780.db2.gz AEEBJKHOQOZLRG-QGZVFWFLSA-N 0 3 296.374 2.633 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029323233 777593406 /nfs/dbraw/zinc/59/34/06/777593406.db2.gz UPCAGTNNGFKYQM-OKILXGFUSA-N 0 3 296.842 2.850 20 30 CFEDHN C#CCN1CCC(C)(CNC(=O)C2(F)CCCCC2)CC1 ZINC001270919772 777603556 /nfs/dbraw/zinc/60/35/56/777603556.db2.gz PLADTLOVSOAQMH-UHFFFAOYSA-N 0 3 294.414 2.510 20 30 CFEDHN C=C(C)CN1CCC[C@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001270932702 777608589 /nfs/dbraw/zinc/60/85/89/777608589.db2.gz PATHKYXHNDOYRA-QGZVFWFLSA-N 0 3 294.439 2.540 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1CC ZINC001087691655 777679074 /nfs/dbraw/zinc/67/90/74/777679074.db2.gz YJRQKRFRANBDFZ-QLFBSQMISA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1CC ZINC001087688706 777679905 /nfs/dbraw/zinc/67/99/05/777679905.db2.gz SMEOGXGNGMGYMB-HRCADAONSA-N 0 3 276.424 2.888 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1CC ZINC001087709409 777684424 /nfs/dbraw/zinc/68/44/24/777684424.db2.gz WUUNRAYCUUVWCN-ZWKOTPCHSA-N 0 3 298.430 2.530 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H]1CC ZINC001087804050 777701327 /nfs/dbraw/zinc/70/13/27/777701327.db2.gz DXPXXTJFCCORBK-JKSUJKDBSA-N 0 3 290.382 2.903 20 30 CFEDHN Cc1ccc(CN2CCN(C(C)(C)C)CC2)c(C#N)c1 ZINC001232965893 777740737 /nfs/dbraw/zinc/74/07/37/777740737.db2.gz ASKUJQZYEQAIMF-UHFFFAOYSA-N 0 3 271.408 2.783 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029456469 777745221 /nfs/dbraw/zinc/74/52/21/777745221.db2.gz FQEKBXHJMFCHPC-IJEWVQPXSA-N 0 3 264.413 2.672 20 30 CFEDHN CCCCN1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233080723 777791516 /nfs/dbraw/zinc/79/15/16/777791516.db2.gz AYNFCTFKESHHCQ-UHFFFAOYSA-N 0 3 271.408 2.784 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001277759182 777792830 /nfs/dbraw/zinc/79/28/30/777792830.db2.gz HFKUMUUMMMVEQI-UONOGXRCSA-N 0 3 290.407 2.797 20 30 CFEDHN C=CCN(CC=C)Cc1cc(Br)c[nH]c1=O ZINC001233188675 777822164 /nfs/dbraw/zinc/82/21/64/777822164.db2.gz UFUVJEDENPREGN-UHFFFAOYSA-N 0 3 283.169 2.724 20 30 CFEDHN OC[C@H]1CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141975641 777839860 /nfs/dbraw/zinc/83/98/60/777839860.db2.gz FCSHDDPROIEZDE-INIZCTEOSA-N 0 3 297.423 2.962 20 30 CFEDHN N#Cc1cccc(C2CCN(Cc3cccc(N)n3)CC2)c1 ZINC001233371527 777917617 /nfs/dbraw/zinc/91/76/17/777917617.db2.gz VELBHVNQBKEBFU-UHFFFAOYSA-N 0 3 292.386 2.915 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C(C)C)C1 ZINC001088265731 777947904 /nfs/dbraw/zinc/94/79/04/777947904.db2.gz KLIACNFQWZUWSB-CYBMUJFWSA-N 0 3 272.820 2.756 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCC1CCC1 ZINC001233548649 777986012 /nfs/dbraw/zinc/98/60/12/777986012.db2.gz GZCUMHXYUKDCQE-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654933 778026823 /nfs/dbraw/zinc/02/68/23/778026823.db2.gz UQKBVXIPNFXUNH-CYBMUJFWSA-N 0 3 268.376 2.749 20 30 CFEDHN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(C)C ZINC001271944400 778026963 /nfs/dbraw/zinc/02/69/63/778026963.db2.gz GSBGIPHQNJZIMI-KRWDZBQOSA-N 0 3 284.403 2.521 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H]2CC23CC3)C1 ZINC001088388653 778056209 /nfs/dbraw/zinc/05/62/09/778056209.db2.gz ARWZZFYNHPLCNL-UONOGXRCSA-N 0 3 296.842 2.900 20 30 CFEDHN CC[NH+](CC)C[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799307 778080323 /nfs/dbraw/zinc/08/03/23/778080323.db2.gz HIQJFKHCGWBTEB-SEJMYLSOSA-N 0 3 280.368 2.612 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC001088454872 778123933 /nfs/dbraw/zinc/12/39/33/778123933.db2.gz MUBBLGKHTMZCCF-ZBFHGGJFSA-N 0 3 272.392 2.764 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234029506 778145409 /nfs/dbraw/zinc/14/54/09/778145409.db2.gz HTNWDTKBDZWPEQ-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088482815 778155787 /nfs/dbraw/zinc/15/57/87/778155787.db2.gz AEBICMLDTJBTBF-HIFRSBDPSA-N 0 3 262.397 2.642 20 30 CFEDHN CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234159402 778177993 /nfs/dbraw/zinc/17/79/93/778177993.db2.gz AMHSYCBOUGZIRW-IWAYRVGRSA-N 0 3 290.451 2.925 20 30 CFEDHN CC/C=C\CCN1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234162880 778179142 /nfs/dbraw/zinc/17/91/42/778179142.db2.gz VZRZPDYYUDLSEP-WLMCBFPDSA-N 0 3 276.424 2.535 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234194550 778182550 /nfs/dbraw/zinc/18/25/50/778182550.db2.gz FHVNWZARYWWUIG-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC001088521201 778198086 /nfs/dbraw/zinc/19/80/86/778198086.db2.gz BCJVHJSZCQCECL-OCCSQVGLSA-N 0 3 280.387 2.939 20 30 CFEDHN CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(Cl)cc1)C(=O)N[O-] ZINC001168171442 778205585 /nfs/dbraw/zinc/20/55/85/778205585.db2.gz XAFCCXPQYCLUBG-FZMZJTMJSA-N 0 3 298.814 2.781 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234305207 778205666 /nfs/dbraw/zinc/20/56/66/778205666.db2.gz RHXUINNXSPMUFU-GFCCVEGCSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)C(=O)OC[C@@H](C)Oc1cccc2c1CCN(C)C2 ZINC001234423971 778223418 /nfs/dbraw/zinc/22/34/18/778223418.db2.gz MVNTYHNDEPMCGI-CYBMUJFWSA-N 0 3 289.375 2.561 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234425131 778224170 /nfs/dbraw/zinc/22/41/70/778224170.db2.gz LVSSUTDUVZRJJP-MRXNPFEDSA-N 0 3 289.423 2.907 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001272060706 778242121 /nfs/dbraw/zinc/24/21/21/778242121.db2.gz KOEKVIVKMMEDAY-HZPDHXFCSA-N 0 3 290.451 2.638 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CC[C@H](C)F ZINC001234614982 778266193 /nfs/dbraw/zinc/26/61/93/778266193.db2.gz WRGDUZXXRQAWST-UONOGXRCSA-N 0 3 270.392 2.624 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088587298 778306214 /nfs/dbraw/zinc/30/62/14/778306214.db2.gz HDUDRPFRFJBZCI-PMPSAXMXSA-N 0 3 276.424 2.888 20 30 CFEDHN CCN1CC[C@@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234853663 778310928 /nfs/dbraw/zinc/31/09/28/778310928.db2.gz BEZGRHYFALRMHY-GFCCVEGCSA-N 0 3 267.332 2.579 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001272185055 778369847 /nfs/dbraw/zinc/36/98/47/778369847.db2.gz HFSSMBLREJSILP-JKSUJKDBSA-N 0 3 290.382 2.505 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235191904 778409286 /nfs/dbraw/zinc/40/92/86/778409286.db2.gz JWBHGBMXIZHAES-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN(Cc1cc(C(=O)OC)ccn1)C(C)(C)C ZINC001235209112 778415452 /nfs/dbraw/zinc/41/54/52/778415452.db2.gz AYOGJCRYZFBBJK-UHFFFAOYSA-N 0 3 262.353 2.655 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cccc(CC)c3)[C@@H]2C1 ZINC001075962082 778466937 /nfs/dbraw/zinc/46/69/37/778466937.db2.gz DGVMUAFBOJXREH-ZWKOTPCHSA-N 0 3 298.430 2.510 20 30 CFEDHN C=CCCCCO[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H](C1)N2C ZINC001224335647 778473873 /nfs/dbraw/zinc/47/38/73/778473873.db2.gz VGLDKRTVORXCPQ-JONQDZQNSA-N 0 3 281.396 2.526 20 30 CFEDHN C=CCCC(=O)NCCCN(C)Cc1cc(F)cc(F)c1 ZINC001235437276 778491064 /nfs/dbraw/zinc/49/10/64/778491064.db2.gz YAYVWYQQFKWXRG-UHFFFAOYSA-N 0 3 296.361 2.869 20 30 CFEDHN Cc1nc(C2CCN(Cc3ccccc3CC#N)CC2)no1 ZINC001235523187 778510410 /nfs/dbraw/zinc/51/04/10/778510410.db2.gz MMRHEYCKXUMYIE-UHFFFAOYSA-N 0 3 296.374 2.824 20 30 CFEDHN COC(=O)C[C@H]1CCCN(Cc2ccccc2CC#N)C1 ZINC001235530476 778512614 /nfs/dbraw/zinc/51/26/14/778512614.db2.gz VGWGCMHNZWWSHM-CQSZACIVSA-N 0 3 286.375 2.528 20 30 CFEDHN CCCCN1CCN(Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235657141 778529502 /nfs/dbraw/zinc/52/95/02/778529502.db2.gz MDGDOHFKPKRGOC-UHFFFAOYSA-N 0 3 293.361 2.754 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001076275804 778580258 /nfs/dbraw/zinc/58/02/58/778580258.db2.gz GJVFITNMWOMYEI-DLBZAZTESA-N 0 3 282.387 2.662 20 30 CFEDHN N#Cc1cc(F)cc(CN2CCN[C@@H](c3ccccc3)C2)c1 ZINC001235856293 778581742 /nfs/dbraw/zinc/58/17/42/778581742.db2.gz YQBRFSLPFHYKNA-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)[C@@H]2C1 ZINC001076318275 778583485 /nfs/dbraw/zinc/58/34/85/778583485.db2.gz QTEZCLPUOHGGFF-BHYGNILZSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001076480150 778591358 /nfs/dbraw/zinc/59/13/58/778591358.db2.gz GNBQZYNXOSBECZ-LUKYLMHMSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001076522187 778593665 /nfs/dbraw/zinc/59/36/65/778593665.db2.gz MRCQMJGLIBXLDU-DLBZAZTESA-N 0 3 284.403 2.581 20 30 CFEDHN N[C@@H]1CN(Cc2ccccc2C#Cc2ccccc2)C[C@@H]1F ZINC001235893358 778594215 /nfs/dbraw/zinc/59/42/15/778594215.db2.gz NGCUBGLXWWHVKP-RBUKOAKNSA-N 0 3 294.373 2.567 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001076598004 778597838 /nfs/dbraw/zinc/59/78/38/778597838.db2.gz NKOOILBJMAYFRZ-SOLBZPMBSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CC(C3CC3)C3CC3)[C@@H]2C1 ZINC001076611560 778597969 /nfs/dbraw/zinc/59/79/69/778597969.db2.gz YXZHPRFVGHGDIO-DOTOQJQBSA-N 0 3 288.435 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CC(C(C)(C)C)C3)[C@@H]2C1 ZINC001076624916 778599051 /nfs/dbraw/zinc/59/90/51/778599051.db2.gz LSCKAGSHXKKRDB-SLTXQBBLSA-N 0 3 290.451 2.777 20 30 CFEDHN C[Si](C)(C)C#CCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224617870 778601033 /nfs/dbraw/zinc/60/10/33/778601033.db2.gz XNXXNVZYVIUUBI-IYBDPMFKSA-N 0 3 295.499 2.527 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088835463 778604134 /nfs/dbraw/zinc/60/41/34/778604134.db2.gz YDOIEJDHIXCHQF-CABCVRRESA-N 0 3 276.424 2.559 20 30 CFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000129874819 778870762 /nfs/dbraw/zinc/87/07/62/778870762.db2.gz XBNCHVNQTDSJCF-QWHCGFSZSA-N 0 3 298.342 2.699 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1C ZINC001088876355 778931214 /nfs/dbraw/zinc/93/12/14/778931214.db2.gz JVZDPVJIHUFIBS-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN C#C[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236811366 778948299 /nfs/dbraw/zinc/94/82/99/778948299.db2.gz RQQVJLDKAGWMQV-CYBMUJFWSA-N 0 3 259.349 2.554 20 30 CFEDHN C#C[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236811366 778948302 /nfs/dbraw/zinc/94/83/02/778948302.db2.gz RQQVJLDKAGWMQV-CYBMUJFWSA-N 0 3 259.349 2.554 20 30 CFEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CC(C)(C)C)C2 ZINC001045913368 778949620 /nfs/dbraw/zinc/94/96/20/778949620.db2.gz STFJJFQXZNERKE-GOSISDBHSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)[C@H]1C ZINC001088931232 778952256 /nfs/dbraw/zinc/95/22/56/778952256.db2.gz RLUKZXFMQFKBAP-HFTRVMKXSA-N 0 3 298.430 2.872 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1C ZINC001089024244 778976801 /nfs/dbraw/zinc/97/68/01/778976801.db2.gz QOMSPDBCYDXOIA-WBVHZDCISA-N 0 3 286.419 2.611 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H]1C ZINC001089022808 778977384 /nfs/dbraw/zinc/97/73/84/778977384.db2.gz PESNOSUFZFUCAN-CJNGLKHVSA-N 0 3 290.382 2.523 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@H]1C ZINC001089064519 778985800 /nfs/dbraw/zinc/98/58/00/778985800.db2.gz GWDQOBVDGLMODK-CJNGLKHVSA-N 0 3 297.402 2.855 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC001089069953 778986640 /nfs/dbraw/zinc/98/66/40/778986640.db2.gz HMPJBMIFKGAGPQ-HIFRSBDPSA-N 0 3 288.391 2.619 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)Cc2ccccc2F)CC1 ZINC001278087447 779083215 /nfs/dbraw/zinc/08/32/15/779083215.db2.gz GWENETJVYPGFSL-UHFFFAOYSA-N 0 3 290.382 2.525 20 30 CFEDHN Cc1cc(Br)cc(C#N)c1O[C@H]1CCN(C)C1 ZINC001234009703 779119657 /nfs/dbraw/zinc/11/96/57/779119657.db2.gz GIMLJTTXRPVFCZ-LBPRGKRZSA-N 0 3 295.180 2.712 20 30 CFEDHN C#CCN(C(=O)c1cccc(C)c1)C1CCN(CC=C)CC1 ZINC001278115480 779134689 /nfs/dbraw/zinc/13/46/89/779134689.db2.gz NLIGISWAFZTKOK-UHFFFAOYSA-N 0 3 296.414 2.721 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)N[C@H](C)c1nc(C)no1 ZINC001121942344 779138688 /nfs/dbraw/zinc/13/86/88/779138688.db2.gz WKDMOVHWZDRJFM-YPMHNXCESA-N 0 3 296.415 2.633 20 30 CFEDHN N#Cc1ccc2nc(CN3C[C@@H]4CCCC[C@H]4C3)cn2c1 ZINC001237609066 779141547 /nfs/dbraw/zinc/14/15/47/779141547.db2.gz MBYBDGXKYVDBBP-GJZGRUSLSA-N 0 3 280.375 2.828 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2CCC(F)(F)F ZINC001272502661 779149307 /nfs/dbraw/zinc/14/93/07/779149307.db2.gz RXHIKGSCQPUTFR-VXGBXAGGSA-N 0 3 290.329 2.580 20 30 CFEDHN CN(C)/C=N/c1ccc(NC[C@@H]2CC(C)(C)O2)cc1C#N ZINC001168461186 779203588 /nfs/dbraw/zinc/20/35/88/779203588.db2.gz RGZNMVOSVXBWCH-YRIIZNAFSA-N 0 3 286.379 2.759 20 30 CFEDHN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccco1)CC2 ZINC001272584837 779237866 /nfs/dbraw/zinc/23/78/66/779237866.db2.gz MJEKXTXZKLOSBE-OAHLLOKOSA-N 0 3 288.391 2.574 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001046646339 779256547 /nfs/dbraw/zinc/25/65/47/779256547.db2.gz BUVJXVZBQDOPFR-KRWDZBQOSA-N 0 3 290.382 2.904 20 30 CFEDHN N#Cc1cc(CN2CCN3CCCC[C@H]3C2)ccc1Cl ZINC001238193818 779276033 /nfs/dbraw/zinc/27/60/33/779276033.db2.gz GIRSAVJXOUOSTG-HNNXBMFYSA-N 0 3 289.810 2.882 20 30 CFEDHN N#Cc1cc(CN2CCN3CCCC[C@@H]3C2)ccc1Cl ZINC001238193824 779276583 /nfs/dbraw/zinc/27/65/83/779276583.db2.gz GIRSAVJXOUOSTG-OAHLLOKOSA-N 0 3 289.810 2.882 20 30 CFEDHN Cc1cc(CN2CCC3SC(=O)C=C3C2)ncc1Cl ZINC001238418398 779308554 /nfs/dbraw/zinc/30/85/54/779308554.db2.gz HJSLBXWQJYDSDI-ZDUSSCGKSA-N 0 3 294.807 2.818 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046792522 779376242 /nfs/dbraw/zinc/37/62/42/779376242.db2.gz VQGDVBXPAAQMAH-KRWDZBQOSA-N 0 3 272.392 2.765 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001046809716 779383099 /nfs/dbraw/zinc/38/30/99/779383099.db2.gz GRADRRNLBMDLIH-LEOMRAHMSA-N 0 3 290.451 2.969 20 30 CFEDHN CCc1cc(CN2CC[C@]3(CCCO3)C2)ccc1C#N ZINC001238760997 779383695 /nfs/dbraw/zinc/38/36/95/779383695.db2.gz RGPGXOWFXNKPDO-QGZVFWFLSA-N 0 3 270.376 2.876 20 30 CFEDHN CCc1cc(CN2CCC[C@]3(CCC(=O)O3)C2)ccc1C#N ZINC001238769083 779386517 /nfs/dbraw/zinc/38/65/17/779386517.db2.gz OQEXADBUOOYXJL-SFHVURJKSA-N 0 3 298.386 2.792 20 30 CFEDHN CCc1cc(CN2CCN(CC)[C@H](C)C2)ccc1C#N ZINC001238772892 779388722 /nfs/dbraw/zinc/38/87/22/779388722.db2.gz RPNUNRDVOYYETH-CQSZACIVSA-N 0 3 271.408 2.647 20 30 CFEDHN CCOC(=O)CCN(C)Cc1ccc(C#N)c(CC)c1 ZINC001238779282 779391101 /nfs/dbraw/zinc/39/11/01/779391101.db2.gz VIVSOFGANXTLLX-UHFFFAOYSA-N 0 3 274.364 2.506 20 30 CFEDHN CN(Cc1ccc(-c2cnc(C#N)c(F)c2)nc1)C1CC1 ZINC001238991745 779435346 /nfs/dbraw/zinc/43/53/46/779435346.db2.gz ASHKPVWTTGZAGJ-UHFFFAOYSA-N 0 3 282.322 2.749 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2)CC(C)(C)C1 ZINC001089548992 779507510 /nfs/dbraw/zinc/50/75/10/779507510.db2.gz RWXVXDLINNAOAI-KRWDZBQOSA-N 0 3 298.430 2.849 20 30 CFEDHN CCCCCCCCOC(=O)N[C@@H]1CCNC[C@H]1F ZINC001239315168 779509610 /nfs/dbraw/zinc/50/96/10/779509610.db2.gz LTVPCBMVFGBHAH-CHWSQXEVSA-N 0 3 274.380 2.773 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001031665039 779522395 /nfs/dbraw/zinc/52/23/95/779522395.db2.gz UQLBTFDYWZJBMU-JSGCOSHPSA-N 0 3 288.391 2.641 20 30 CFEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccco1 ZINC001089596114 779535296 /nfs/dbraw/zinc/53/52/96/779535296.db2.gz UKXJNCYZGBWRKH-AWEZNQCLSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2coc3c2cccc3C)C1 ZINC001031734227 779558113 /nfs/dbraw/zinc/55/81/13/779558113.db2.gz FPJIUZHRBWNQHV-UHFFFAOYSA-N 0 3 298.386 2.979 20 30 CFEDHN CCCCCCCCNC(=S)N1C[C@H](C)NC[C@H]1C ZINC001239433304 779565075 /nfs/dbraw/zinc/56/50/75/779565075.db2.gz DYNYMNPMFGNPNM-UONOGXRCSA-N 0 3 285.501 2.904 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089682100 779566426 /nfs/dbraw/zinc/56/64/26/779566426.db2.gz BCSGKIDNEKNYJB-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001031833486 779635256 /nfs/dbraw/zinc/63/52/56/779635256.db2.gz QNNITGUGFKMOOF-UHFFFAOYSA-N 0 3 294.345 2.511 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001032249819 779790483 /nfs/dbraw/zinc/79/04/83/779790483.db2.gz GWEXAJCBKJCZHR-HOTGVXAUSA-N 0 3 288.366 2.691 20 30 CFEDHN CCc1cc(CN2CCOC[C@@H](C)C2)ccc1C#N ZINC001238766295 779825744 /nfs/dbraw/zinc/82/57/44/779825744.db2.gz KGKBVQDBVNQURG-ZDUSSCGKSA-N 0 3 258.365 2.589 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107502840 779852759 /nfs/dbraw/zinc/85/27/59/779852759.db2.gz OQIDNJFUMJSAMG-CZUORRHYSA-N 0 3 282.403 2.529 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1C(C)(C)C1(C)C ZINC001032338084 779866482 /nfs/dbraw/zinc/86/64/82/779866482.db2.gz RPTHJWZXQVKLCU-KBPBESRZSA-N 0 3 290.451 2.920 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038607940 779905948 /nfs/dbraw/zinc/90/59/48/779905948.db2.gz VDZGHGOGKAHMMR-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032392584 779922439 /nfs/dbraw/zinc/92/24/39/779922439.db2.gz CCADFDHCLMYDAJ-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCC1 ZINC001032471009 779962581 /nfs/dbraw/zinc/96/25/81/779962581.db2.gz KSBVPHQCMLDXQN-KBMXLJTQSA-N 0 3 276.424 2.674 20 30 CFEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)CC)cc1 ZINC001032554781 780028473 /nfs/dbraw/zinc/02/84/73/780028473.db2.gz MAQANRSGHWJOSZ-WBAXXEDZSA-N 0 3 296.414 2.613 20 30 CFEDHN C=C(C)CCC(=O)NC[C@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001107976266 780051519 /nfs/dbraw/zinc/05/15/19/780051519.db2.gz HTZKJTUKGYJMCF-DOTOQJQBSA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc21 ZINC001032597353 780061719 /nfs/dbraw/zinc/06/17/19/780061719.db2.gz NBFRNQMQXLTNLP-BQFCYCMXSA-N 0 3 296.414 2.578 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(=C)C1 ZINC001032614478 780074847 /nfs/dbraw/zinc/07/48/47/780074847.db2.gz RHHIZCFJVYUCMA-GJZGRUSLSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001032637363 780094200 /nfs/dbraw/zinc/09/42/00/780094200.db2.gz KNBHJIGMYJNTOL-LTIDMASMSA-N 0 3 290.451 2.920 20 30 CFEDHN COc1ccc([C@H]2C[C@H](N3CC(CC#N)C3)CCO2)cc1 ZINC001168632073 780134580 /nfs/dbraw/zinc/13/45/80/780134580.db2.gz XQETXFZFUDPZIP-NVXWUHKLSA-N 0 3 286.375 2.761 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001032807131 780261021 /nfs/dbraw/zinc/26/10/21/780261021.db2.gz YYAWNVDOLFJEEY-YOTSKQKMSA-N 0 3 288.435 2.674 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2CCCC2)C12CCC2 ZINC001078527434 780266789 /nfs/dbraw/zinc/26/67/89/780266789.db2.gz XWHVWLQESCEHEG-ZIAGYGMSSA-N 0 3 296.842 2.946 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001002068261 780333262 /nfs/dbraw/zinc/33/32/62/780333262.db2.gz XWVMJVHPIYPIQL-JCNLHEQBSA-N 0 3 290.451 2.664 20 30 CFEDHN CCC1(CC)[C@H](NCC2(C#N)CCC2)C[C@@H]1OC ZINC000450849869 780336541 /nfs/dbraw/zinc/33/65/41/780336541.db2.gz VVUMLQHUOKTNQA-OLZOCXBDSA-N 0 3 250.386 2.864 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(Cl)cc1 ZINC000130908271 780348458 /nfs/dbraw/zinc/34/84/58/780348458.db2.gz NSEYRMWBGIYIHL-ZDUSSCGKSA-N 0 3 292.766 2.506 20 30 CFEDHN C=CCN1CCC2(CCN(Cc3ccc(C)cc3)CC2)C1=O ZINC001272970838 780404082 /nfs/dbraw/zinc/40/40/82/780404082.db2.gz CJOJKVDYUMFJKL-UHFFFAOYSA-N 0 3 298.430 2.996 20 30 CFEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(C)c(C)c2)C1=O ZINC001272988378 780453148 /nfs/dbraw/zinc/45/31/48/780453148.db2.gz QHGCQYVWRKYFDJ-IBGZPJMESA-N 0 3 296.414 2.504 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001032883094 780501286 /nfs/dbraw/zinc/50/12/86/780501286.db2.gz GWIKYDAKFDEDQO-CYBMUJFWSA-N 0 3 278.421 2.779 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032945901 780516733 /nfs/dbraw/zinc/51/67/33/780516733.db2.gz KBMQKRAGEHLWCL-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033183691 780607055 /nfs/dbraw/zinc/60/70/55/780607055.db2.gz LHKNPUYIYHFOEX-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccccc2CC)C1 ZINC001033184302 780608412 /nfs/dbraw/zinc/60/84/12/780608412.db2.gz DFEAGTHTDSQEBV-QGZVFWFLSA-N 0 3 286.419 2.510 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001033241008 780628949 /nfs/dbraw/zinc/62/89/49/780628949.db2.gz RTDHGSDDIBZVEV-KRWDZBQOSA-N 0 3 286.419 2.646 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ncc(Cl)s2)C1 ZINC001033260243 780636226 /nfs/dbraw/zinc/63/62/26/780636226.db2.gz VJANILTYEFAUTI-SNVBAGLBSA-N 0 3 299.827 2.519 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033352096 780663954 /nfs/dbraw/zinc/66/39/54/780663954.db2.gz ADHFLKOGQHRHBC-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033371873 780667670 /nfs/dbraw/zinc/66/76/70/780667670.db2.gz XJVCZKADCRAAMD-JTQLQIEISA-N 0 3 299.827 2.519 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001033453806 780685489 /nfs/dbraw/zinc/68/54/89/780685489.db2.gz ALDDUPDLNIHDMG-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033519837 780702525 /nfs/dbraw/zinc/70/25/25/780702525.db2.gz WYSFIVIGYDMYID-SJORKVTESA-N 0 3 298.430 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033588607 780719972 /nfs/dbraw/zinc/71/99/72/780719972.db2.gz KQRWAMHQBZQHMS-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033641529 780739635 /nfs/dbraw/zinc/73/96/35/780739635.db2.gz FMCBKFDKEHSRDQ-QGZVFWFLSA-N 0 3 298.430 2.781 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001033673150 780745424 /nfs/dbraw/zinc/74/54/24/780745424.db2.gz MQQRWKZINMQGPC-OAHLLOKOSA-N 0 3 289.423 2.791 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033679248 780747007 /nfs/dbraw/zinc/74/70/07/780747007.db2.gz VDQMFIZXNGOHLZ-SJLPKXTDSA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001033707438 780756765 /nfs/dbraw/zinc/75/67/65/780756765.db2.gz LUDWSAUPEWANBE-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001033751003 780777595 /nfs/dbraw/zinc/77/75/95/780777595.db2.gz ZNRCGMFSQFNFMA-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCC(C)C)C2 ZINC001278328097 780795551 /nfs/dbraw/zinc/79/55/51/780795551.db2.gz UQZQDAWHGMEFCA-SFHVURJKSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033926421 780825853 /nfs/dbraw/zinc/82/58/53/780825853.db2.gz JQEZHHIFNNXUEL-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033944840 780838883 /nfs/dbraw/zinc/83/88/83/780838883.db2.gz YUYTVFFITPDBJQ-SJLPKXTDSA-N 0 3 298.430 2.825 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001034088500 780883265 /nfs/dbraw/zinc/88/32/65/780883265.db2.gz YBFGBHUMXJCCML-OAHLLOKOSA-N 0 3 272.392 2.765 20 30 CFEDHN C#C[C@H](NCc1cc(OC)cc(OC)c1)C(C)(C)C ZINC000702281397 780909679 /nfs/dbraw/zinc/90/96/79/780909679.db2.gz GWIOXHKZFMCIOE-HNNXBMFYSA-N 0 3 261.365 2.841 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034185138 780917008 /nfs/dbraw/zinc/91/70/08/780917008.db2.gz TYTJLMNWCZRQCB-OAHLLOKOSA-N 0 3 276.380 2.748 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034202862 780920214 /nfs/dbraw/zinc/92/02/14/780920214.db2.gz CDNMGAVPSVHSEZ-OAHLLOKOSA-N 0 3 262.397 2.644 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034256632 780932451 /nfs/dbraw/zinc/93/24/51/780932451.db2.gz FFCWCTQYKGJGTN-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034298259 780940518 /nfs/dbraw/zinc/94/05/18/780940518.db2.gz VFYUZRFJGYOAOU-KRWDZBQOSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001034322462 780945560 /nfs/dbraw/zinc/94/55/60/780945560.db2.gz GUYZTGIOCGIXBQ-LUKYLMHMSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034328899 780946316 /nfs/dbraw/zinc/94/63/16/780946316.db2.gz CJXZQJBZHHPPBY-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353176 780948459 /nfs/dbraw/zinc/94/84/59/780948459.db2.gz VHQYQMGOLSBCHL-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353174 780949158 /nfs/dbraw/zinc/94/91/58/780949158.db2.gz VHQYQMGOLSBCHL-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034379674 780961476 /nfs/dbraw/zinc/96/14/76/780961476.db2.gz FRNGATBGTORSDC-GFCCVEGCSA-N 0 3 295.814 2.829 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034504959 780988465 /nfs/dbraw/zinc/98/84/65/780988465.db2.gz BJUQLHQVUFVEQB-INIZCTEOSA-N 0 3 272.392 2.765 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccn2CC)C1 ZINC001034532392 780992573 /nfs/dbraw/zinc/99/25/73/780992573.db2.gz NNMWQNJKZQXDGX-HNNXBMFYSA-N 0 3 289.423 2.668 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccn2CC)C1 ZINC001034532393 780993259 /nfs/dbraw/zinc/99/32/59/780993259.db2.gz NNMWQNJKZQXDGX-OAHLLOKOSA-N 0 3 289.423 2.668 20 30 CFEDHN CCN1CCN(c2ccc(-c3cccc(C#N)n3)cc2)CC1 ZINC001241737773 781104341 /nfs/dbraw/zinc/10/43/41/781104341.db2.gz IKOXCYLUWUFUCL-UHFFFAOYSA-N 0 3 292.386 2.762 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001035647861 781151583 /nfs/dbraw/zinc/15/15/83/781151583.db2.gz DCMIGXXGMTWJIC-UHFFFAOYSA-N 0 3 290.432 2.862 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)CC)CC2 ZINC001035655903 781152680 /nfs/dbraw/zinc/15/26/80/781152680.db2.gz UAAOLSPLSBTIDO-CQSZACIVSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001035641592 781153672 /nfs/dbraw/zinc/15/36/72/781153672.db2.gz UVODOLWGWKMHCN-UHFFFAOYSA-N 0 3 284.403 2.801 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC001035644626 781154655 /nfs/dbraw/zinc/15/46/55/781154655.db2.gz QLSUMEOMMIXMPE-UHFFFAOYSA-N 0 3 296.414 2.556 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1C=CC=CC=C1)CC2 ZINC001035715602 781160804 /nfs/dbraw/zinc/16/08/04/781160804.db2.gz LSCGXHRCBLXATD-UHFFFAOYSA-N 0 3 298.430 2.785 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)F ZINC001098855615 781207955 /nfs/dbraw/zinc/20/79/55/781207955.db2.gz OAJIBWDXUWBULC-ZDUSSCGKSA-N 0 3 284.419 2.917 20 30 CFEDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000709502305 781312503 /nfs/dbraw/zinc/31/25/03/781312503.db2.gz NGQMNCGWSQVARV-VXGBXAGGSA-N 0 3 279.409 2.645 20 30 CFEDHN Cc1cc(C2=CC(=O)CC(C)(C)C2)nc2c1CNCC2 ZINC001242313588 781391655 /nfs/dbraw/zinc/39/16/55/781391655.db2.gz IBOOLDYYTRGCMC-UHFFFAOYSA-N 0 3 270.376 2.808 20 30 CFEDHN C#CCNC1(CNC(=O)c2cccc(C(C)C)c2)CCC1 ZINC001273180533 781471569 /nfs/dbraw/zinc/47/15/69/781471569.db2.gz RLBAXGCNUAJMMA-UHFFFAOYSA-N 0 3 284.403 2.685 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC001079373101 781591458 /nfs/dbraw/zinc/59/14/58/781591458.db2.gz MUFIDGVSRRWITI-GDBMZVCRSA-N 0 3 272.392 2.621 20 30 CFEDHN C[NH+](C)Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC001242565339 781605047 /nfs/dbraw/zinc/60/50/47/781605047.db2.gz XXUVYOHGUBPVMW-UHFFFAOYSA-N 0 3 252.317 2.992 20 30 CFEDHN N#Cc1cc(-c2ccc3c(c2)[C@@H]([NH3+])CC3)ccc1[O-] ZINC001242566219 781606381 /nfs/dbraw/zinc/60/63/81/781606381.db2.gz NVLLKPGPIFORMO-HNNXBMFYSA-N 0 3 250.301 2.877 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001079741115 781618474 /nfs/dbraw/zinc/61/84/74/781618474.db2.gz SLQPJEJLDWQDII-MLGOLLRUSA-N 0 3 290.382 2.760 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079947476 781626989 /nfs/dbraw/zinc/62/69/89/781626989.db2.gz AUFIJPQJCBOXPT-BZUAXINKSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001080144573 781637884 /nfs/dbraw/zinc/63/78/84/781637884.db2.gz HKERVVUGHQHQFI-UKRRQHHQSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001080145674 781638108 /nfs/dbraw/zinc/63/81/08/781638108.db2.gz BCAJYWGVWWOKRB-GDBMZVCRSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001080397337 781658882 /nfs/dbraw/zinc/65/88/82/781658882.db2.gz VOQPFSROWDCPOW-KCYZZUKISA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001080516193 781665877 /nfs/dbraw/zinc/66/58/77/781665877.db2.gz XORIYZYHOZPQSD-CXAGYDPISA-N 0 3 297.402 2.794 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001080842447 781682800 /nfs/dbraw/zinc/68/28/00/781682800.db2.gz KYNWICAQAFEJDN-GDBMZVCRSA-N 0 3 272.392 2.540 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001080951264 781686379 /nfs/dbraw/zinc/68/63/79/781686379.db2.gz MSTAZIIVCOSYDO-HUUCEWRRSA-N 0 3 289.423 2.695 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2CCC)CC1 ZINC001119057379 781746402 /nfs/dbraw/zinc/74/64/02/781746402.db2.gz IYHALWNAQVHSTL-BZUAXINKSA-N 0 3 276.424 2.559 20 30 CFEDHN C=CCO[C@@H]1CCN(Cc2cc3ccccc3n2C)C1 ZINC001119300975 781757672 /nfs/dbraw/zinc/75/76/72/781757672.db2.gz MCNNTNPYWWOYJB-MRXNPFEDSA-N 0 3 270.376 2.955 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001084301329 781786582 /nfs/dbraw/zinc/78/65/82/781786582.db2.gz JJSQTWXPPPPPCZ-IAGOWNOFSA-N 0 3 288.435 2.986 20 30 CFEDHN CCCCCCCOC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001278353648 781788776 /nfs/dbraw/zinc/78/87/76/781788776.db2.gz MYXMPDBFVSVCAA-UONOGXRCSA-N 0 3 268.401 2.729 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084453443 781795410 /nfs/dbraw/zinc/79/54/10/781795410.db2.gz OCZUPIICOCCPIO-RBSFLKMASA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084581703 781804759 /nfs/dbraw/zinc/80/47/59/781804759.db2.gz RRTUWBYUVXVPAZ-BRWVUGGUSA-N 0 3 288.435 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C1 ZINC001084642883 781816264 /nfs/dbraw/zinc/81/62/64/781816264.db2.gz HTETWNBGTQSAIZ-KLHDSHLOSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCSCC ZINC001098926694 781856731 /nfs/dbraw/zinc/85/67/31/781856731.db2.gz BYFCLPXEWORMRT-AWEZNQCLSA-N 0 3 298.496 2.922 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C3CCC3)C[C@@H]21 ZINC001084968489 781869428 /nfs/dbraw/zinc/86/94/28/781869428.db2.gz LHKZBIXAWQTKOB-BMFZPTHFSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC34CC4)C[C@@H]21 ZINC001084970726 781871299 /nfs/dbraw/zinc/87/12/99/781871299.db2.gz RSHGHZDSISPSCZ-PMPSAXMXSA-N 0 3 288.435 2.676 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CCN(CC#CC)[C@H]2C1 ZINC001085024283 781882508 /nfs/dbraw/zinc/88/25/08/781882508.db2.gz JJDQIFVCKGBHBP-RYRKJORJSA-N 0 3 288.435 2.535 20 30 CFEDHN COCC1(CN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000594509413 349434808 /nfs/dbraw/zinc/43/48/08/349434808.db2.gz FAGJCJMLFATGJH-LLVKDONJSA-N 0 3 262.328 2.775 20 30 CFEDHN C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594516093 349438349 /nfs/dbraw/zinc/43/83/49/349438349.db2.gz BATHJARSPGSBIJ-DOMZBBRYSA-N 0 3 256.349 2.704 20 30 CFEDHN C[C@H](Cc1ccccn1)NCc1ccc(C#N)s1 ZINC000594517170 349439012 /nfs/dbraw/zinc/43/90/12/349439012.db2.gz HLCVNNYNANRHQU-LLVKDONJSA-N 0 3 257.362 2.736 20 30 CFEDHN COc1cc(CN[C@@H]2CC[C@@H](C)SC2)ccc1C#N ZINC000594525269 349442280 /nfs/dbraw/zinc/44/22/80/349442280.db2.gz UMOCEPCBUSQRAS-BXUZGUMPSA-N 0 3 276.405 2.941 20 30 CFEDHN N#Cc1cc2c(nc1N[C@H]1CCCN3CCCC[C@@H]13)CCC2 ZINC000594597973 349455978 /nfs/dbraw/zinc/45/59/78/349455978.db2.gz FPJMLKUUTVTWCX-IRXDYDNUSA-N 0 3 296.418 2.871 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594596519 349456255 /nfs/dbraw/zinc/45/62/55/349456255.db2.gz AJVOUWAMOGKPQM-GJZGRUSLSA-N 0 3 270.380 2.691 20 30 CFEDHN Cc1nsc(N[C@@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594603936 349459805 /nfs/dbraw/zinc/45/98/05/349459805.db2.gz WMFHNHWVGQIHIK-OLZOCXBDSA-N 0 3 276.409 2.752 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594604366 349460018 /nfs/dbraw/zinc/46/00/18/349460018.db2.gz YRJZQAWGVRJAHT-KGLIPLIRSA-N 0 3 274.343 2.521 20 30 CFEDHN CN(C)c1cccc(NCc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594735917 349484867 /nfs/dbraw/zinc/48/48/67/349484867.db2.gz ZNVJRFNWLABPJF-UHFFFAOYSA-N 0 3 292.386 2.737 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCc1ccnc2ccccc12 ZINC000594709919 349478634 /nfs/dbraw/zinc/47/86/34/349478634.db2.gz HISOBZUHFLUFEO-AWEZNQCLSA-N 0 3 278.359 2.810 20 30 CFEDHN C[C@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000594719865 349480145 /nfs/dbraw/zinc/48/01/45/349480145.db2.gz FYDIBACBIZIIJY-GWCFXTLKSA-N 0 3 266.291 2.633 20 30 CFEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)NC(C)(C)C ZINC000594918823 349506707 /nfs/dbraw/zinc/50/67/07/349506707.db2.gz SUTOGRPWWBKELZ-CYBMUJFWSA-N 0 3 299.418 2.635 20 30 CFEDHN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919016 349506862 /nfs/dbraw/zinc/50/68/62/349506862.db2.gz VJTLNPCCBCXLDR-KGLIPLIRSA-N 0 3 299.418 2.635 20 30 CFEDHN CC(C)(C)NC(=O)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594920072 349507564 /nfs/dbraw/zinc/50/75/64/349507564.db2.gz MTMPNICOSHIPGH-UHFFFAOYSA-N 0 3 299.418 2.636 20 30 CFEDHN COc1cc(CNCc2ccc(C3(C#N)CC3)cc2)ccn1 ZINC000594914767 349504128 /nfs/dbraw/zinc/50/41/28/349504128.db2.gz KWFCZLYQNMIAMW-UHFFFAOYSA-N 0 3 293.370 2.935 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000124587128 187144578 /nfs/dbraw/zinc/14/45/78/187144578.db2.gz ZJXGMQKDSDBBSC-IUODEOHRSA-N 0 3 271.364 2.760 20 30 CFEDHN CC1CCN(CCNc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000124752754 187151637 /nfs/dbraw/zinc/15/16/37/187151637.db2.gz IIMWQCZTTBFGLB-UHFFFAOYSA-N 0 3 288.351 2.610 20 30 CFEDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594948760 349525318 /nfs/dbraw/zinc/52/53/18/349525318.db2.gz BHDTVGPCMOMAPX-UHOFOFEASA-N 0 3 298.386 2.725 20 30 CFEDHN COc1cc(C)nc(CNCCc2ccc(C#N)cc2)c1 ZINC000594955716 349528167 /nfs/dbraw/zinc/52/81/67/349528167.db2.gz SQMNXOPVQCNWMU-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1cnc2ccc(C#N)cn12 ZINC000594957885 349529057 /nfs/dbraw/zinc/52/90/57/349529057.db2.gz WHBCPPTTXATVGP-HNNXBMFYSA-N 0 3 298.390 2.501 20 30 CFEDHN C=CCCSCCNCc1cnccc1N(C)C ZINC000594960400 349530404 /nfs/dbraw/zinc/53/04/04/349530404.db2.gz PVDMPZVHZBCPNP-UHFFFAOYSA-N 0 3 265.426 2.547 20 30 CFEDHN CC1(C)COC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594960983 349531544 /nfs/dbraw/zinc/53/15/44/349531544.db2.gz VLWFGECVIHJDJR-HNNXBMFYSA-N 0 3 270.376 2.756 20 30 CFEDHN C=CCCSCCNCc1ccnn1CC(C)C ZINC000594968554 349535336 /nfs/dbraw/zinc/53/53/36/349535336.db2.gz RYPJEFDSMLFVRW-UHFFFAOYSA-N 0 3 267.442 2.938 20 30 CFEDHN Cc1cc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1C#N ZINC000594964742 349533511 /nfs/dbraw/zinc/53/35/11/349533511.db2.gz FTVQUOWSOQESNO-GQIGUUNPSA-N 0 3 290.432 2.646 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CC1(F)F ZINC000594978841 349536529 /nfs/dbraw/zinc/53/65/29/349536529.db2.gz XKKXTCMKNWGIMR-GFCCVEGCSA-N 0 3 254.255 2.832 20 30 CFEDHN Cn1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2C#N)cn1 ZINC000594979391 349537610 /nfs/dbraw/zinc/53/76/10/349537610.db2.gz KEIXJBZWIRPAIC-MAUKXSAKSA-N 0 3 294.402 2.793 20 30 CFEDHN CCSC1(CNCc2cc(C#N)cs2)CC1 ZINC000594986722 349540192 /nfs/dbraw/zinc/54/01/92/349540192.db2.gz IDPIMWTYHGIGRY-UHFFFAOYSA-N 0 3 252.408 2.995 20 30 CFEDHN C[C@@H](CSCCF)NCc1ccc(C#N)cc1F ZINC000595009495 349547255 /nfs/dbraw/zinc/54/72/55/349547255.db2.gz BXVPEHRCWQXPRF-JTQLQIEISA-N 0 3 270.348 2.878 20 30 CFEDHN N#Cc1ccc(CNC2CC(CF)(CF)C2)c(F)c1 ZINC000595010324 349547966 /nfs/dbraw/zinc/54/79/66/349547966.db2.gz GTCAATCUUGDEBP-UHFFFAOYSA-N 0 3 268.282 2.875 20 30 CFEDHN N#Cc1cccc(C2(N[C@@H]3COC4(CCC4)C3)CC2)c1 ZINC000595028508 349556867 /nfs/dbraw/zinc/55/68/67/349556867.db2.gz DLIVNUKWARZLRU-HNNXBMFYSA-N 0 3 268.360 2.849 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000594994631 349542386 /nfs/dbraw/zinc/54/23/86/349542386.db2.gz MXOSMKANEHDUGK-INIZCTEOSA-N 0 3 276.355 2.992 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCN2Cc2ccccc2)c1 ZINC000594998887 349543038 /nfs/dbraw/zinc/54/30/38/349543038.db2.gz LBDBFLDAZPHKBZ-IBGZPJMESA-N 0 3 291.398 2.922 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000595055753 349567408 /nfs/dbraw/zinc/56/74/08/349567408.db2.gz IOVCEXLUDHRANA-ZDUSSCGKSA-N 0 3 280.375 2.594 20 30 CFEDHN C=CCCSCCN[C@H](C)c1cn(C)nc1C ZINC000595057299 349568485 /nfs/dbraw/zinc/56/84/85/349568485.db2.gz CDPSYRGQXTUNLV-LLVKDONJSA-N 0 3 253.415 2.688 20 30 CFEDHN C[C@@H](N[C@@H](CO)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000595056560 349568510 /nfs/dbraw/zinc/56/85/10/349568510.db2.gz MFTJRYAPHBGJNE-BMIGLBTASA-N 0 3 262.328 2.509 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCn2nccc21 ZINC000595037653 349559204 /nfs/dbraw/zinc/55/92/04/349559204.db2.gz BGJZGMMYFNLCCP-HZPDHXFCSA-N 0 3 278.359 2.867 20 30 CFEDHN N#CCc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000595041550 349561053 /nfs/dbraw/zinc/56/10/53/349561053.db2.gz BKQLCFADHQLXHF-OAHLLOKOSA-N 0 3 266.348 2.574 20 30 CFEDHN C[C@H](O)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000595104227 349582396 /nfs/dbraw/zinc/58/23/96/349582396.db2.gz QYVQYMJKIHNQJK-UGQVUOCMSA-N 0 3 258.365 2.780 20 30 CFEDHN COc1cc(C)c(C)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000595257372 349588254 /nfs/dbraw/zinc/58/82/54/349588254.db2.gz UXSGQGSCINXVRD-ZDUSSCGKSA-N 0 3 289.379 2.662 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC2(CCCC2)CC1 ZINC000595255506 349588463 /nfs/dbraw/zinc/58/84/63/349588463.db2.gz DZXZNCPDAHINEG-CQSZACIVSA-N 0 3 277.412 2.580 20 30 CFEDHN N#Cc1cccc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000068134241 346836893 /nfs/dbraw/zinc/83/68/93/346836893.db2.gz DPTAKWDXIBEPTL-KRWDZBQOSA-N 0 3 297.402 2.649 20 30 CFEDHN Cc1cccc2c1CCC[C@H]2NC(=O)[C@@H](N)CCCCC#N ZINC000595260030 349589071 /nfs/dbraw/zinc/58/90/71/349589071.db2.gz SMQFOJYWHBNOLA-DLBZAZTESA-N 0 3 299.418 2.900 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000595258551 349589075 /nfs/dbraw/zinc/58/90/75/349589075.db2.gz CQEZQAHEMIVBNL-CABCVRRESA-N 0 3 277.412 2.579 20 30 CFEDHN N#CC1(CNC(=O)[C@H](N)CC2CCCCC2)CCCCC1 ZINC000595258731 349589198 /nfs/dbraw/zinc/58/91/98/349589198.db2.gz RWZWGSXDBMEVIH-OAHLLOKOSA-N 0 3 291.439 2.874 20 30 CFEDHN CCN(C[C@@H](COC)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000595296283 349595115 /nfs/dbraw/zinc/59/51/15/349595115.db2.gz ZHJWBFRBWMZCEP-BBRMVZONSA-N 0 3 276.380 2.603 20 30 CFEDHN N#Cc1ccccc1N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595302954 349597257 /nfs/dbraw/zinc/59/72/57/349597257.db2.gz YBPWLTMAYADPPY-ACHSLPGTSA-N 0 3 281.403 2.726 20 30 CFEDHN N#CCCN1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000595393381 349615245 /nfs/dbraw/zinc/61/52/45/349615245.db2.gz ZWZKMJHRZBHXJN-KRWDZBQOSA-N 0 3 283.419 2.638 20 30 CFEDHN N#Cc1cccc(C2(NCCO[C@H]3CC3(F)F)CC2)c1 ZINC000595416705 349619212 /nfs/dbraw/zinc/61/92/12/349619212.db2.gz JNFICJXHUHLHOY-ZDUSSCGKSA-N 0 3 278.302 2.561 20 30 CFEDHN COCCN(CCc1ccc(C#N)cc1)Cc1cccnc1 ZINC000595452352 349630540 /nfs/dbraw/zinc/63/05/40/349630540.db2.gz JHRYMZJVXJFQTI-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN N#Cc1cc(N[C@H]2CCN(C3CC3)C2)nc2ccccc12 ZINC000068770355 346868484 /nfs/dbraw/zinc/86/84/84/346868484.db2.gz BHQZTQWNUSGYEU-ZDUSSCGKSA-N 0 3 278.359 2.755 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN(CCCC3CCC3)C2)nc1 ZINC000595502487 349643541 /nfs/dbraw/zinc/64/35/41/349643541.db2.gz SMKPKMXNKHNJLQ-INIZCTEOSA-N 0 3 285.391 2.987 20 30 CFEDHN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(C)C#N ZINC000347082959 529425805 /nfs/dbraw/zinc/42/58/05/529425805.db2.gz KWCOZXADQHIXMM-ZWNOBZJWSA-N 0 3 264.756 2.937 20 30 CFEDHN CC[C@@H](CC#N)NC[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595530246 349651706 /nfs/dbraw/zinc/65/17/06/349651706.db2.gz PZAPRISQDUOCBO-KGLIPLIRSA-N 0 3 279.428 2.553 20 30 CFEDHN Cc1cccc(OCCN2CCC[C@H](CC#N)C2)c1 ZINC000595612674 349675675 /nfs/dbraw/zinc/67/56/75/349675675.db2.gz ZTYFJCSNPPUTNT-OAHLLOKOSA-N 0 3 258.365 3.000 20 30 CFEDHN COc1ccc(COCCN2CCC[C@@H](CC#N)C2)cc1 ZINC000595614669 349677133 /nfs/dbraw/zinc/67/71/33/349677133.db2.gz MDBLQRUECIRUJB-HNNXBMFYSA-N 0 3 288.391 2.837 20 30 CFEDHN N#CC[C@@H]1CCCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623213 349680425 /nfs/dbraw/zinc/68/04/25/349680425.db2.gz JXCIRQVWLDOKBS-ROUUACIJSA-N 0 3 283.419 2.887 20 30 CFEDHN CN(CCN1CCC[C@@H](CC#N)C1)Cc1ccccc1 ZINC000595623890 349680519 /nfs/dbraw/zinc/68/05/19/349680519.db2.gz XVLVTODBIUMROI-KRWDZBQOSA-N 0 3 271.408 2.744 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@@H](O)C2CCCCC2)C1 ZINC000595623497 349681046 /nfs/dbraw/zinc/68/10/46/349681046.db2.gz RTJIWMAILDJTNQ-DZGCQCFKSA-N 0 3 250.386 2.553 20 30 CFEDHN COC[C@@H](NCCCCC#N)c1cccc(OC)c1 ZINC000595683714 349699664 /nfs/dbraw/zinc/69/96/64/349699664.db2.gz JCWQXULDOHWFRR-OAHLLOKOSA-N 0 3 262.353 2.666 20 30 CFEDHN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)C#N ZINC000347082958 529540539 /nfs/dbraw/zinc/54/05/39/529540539.db2.gz KWCOZXADQHIXMM-MFKMUULPSA-N 0 3 264.756 2.937 20 30 CFEDHN C=CCCN[C@@H](CO)c1cccc(Br)c1 ZINC000273145576 192056810 /nfs/dbraw/zinc/05/68/10/192056810.db2.gz VROJMCCYXULTPE-LBPRGKRZSA-N 0 3 270.170 2.648 20 30 CFEDHN CCc1cccc2c(CCNC(=O)C(C)C#N)c[nH]c21 ZINC000347117437 529553649 /nfs/dbraw/zinc/55/36/49/529553649.db2.gz UIVFXBKFUPUZBC-NSHDSACASA-N 0 3 269.348 2.549 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C2CCCCC2)C1 ZINC000595742682 349721572 /nfs/dbraw/zinc/72/15/72/349721572.db2.gz YXFXWGSFPODAJC-INIZCTEOSA-N 0 3 291.439 2.651 20 30 CFEDHN Cn1cc(CN2CC[C@H]3C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000595811566 349737584 /nfs/dbraw/zinc/73/75/84/349737584.db2.gz VEJJBNXAYIFDBL-HOTGVXAUSA-N 0 3 292.386 2.801 20 30 CFEDHN CC(C)(C#N)CCN1CCOC(C2CC2)(C2CC2)C1 ZINC000595821836 349742059 /nfs/dbraw/zinc/74/20/59/349742059.db2.gz HUYKMRWOPMWFOY-UHFFFAOYSA-N 0 3 262.397 2.817 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCOC(C3CC3)(C3CC3)C2)C1 ZINC000595822581 349743463 /nfs/dbraw/zinc/74/34/63/349743463.db2.gz WSBLBSVGHNWLPV-WFASDCNBSA-N 0 3 260.381 2.570 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830569 349744682 /nfs/dbraw/zinc/74/46/82/349744682.db2.gz FPCVJRMMRTUXET-GDBMZVCRSA-N 0 3 297.402 2.564 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000595832210 349745878 /nfs/dbraw/zinc/74/58/78/349745878.db2.gz SXEWHFXOEXBJKU-IIAWOOMASA-N 0 3 256.349 2.832 20 30 CFEDHN C[C@]1(C#N)CCN(CCCCCN2CC[C@](C)(C#N)C2)C1 ZINC000595839702 349750695 /nfs/dbraw/zinc/75/06/95/349750695.db2.gz IHCCGVZAFSRKFT-IAGOWNOFSA-N 0 3 288.439 2.628 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OCC)cn1 ZINC000595845904 349753859 /nfs/dbraw/zinc/75/38/59/349753859.db2.gz VWFGLOMUGJEFRK-IYBDPMFKSA-N 0 3 286.375 2.941 20 30 CFEDHN CC#CCCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595915643 349768634 /nfs/dbraw/zinc/76/86/34/349768634.db2.gz BSPLQRZBOGOUQG-LBPRGKRZSA-N 0 3 292.404 2.523 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCOCCF ZINC000596096688 349793552 /nfs/dbraw/zinc/79/35/52/349793552.db2.gz XEKRHXYUAOSYRC-MRXNPFEDSA-N 0 3 276.355 2.901 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CCc2ccccc2)s1 ZINC000273156861 192060638 /nfs/dbraw/zinc/06/06/38/192060638.db2.gz SISTZHRBBHXYFE-CQSZACIVSA-N 0 3 286.400 2.703 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCN(c2ccccc2)C1 ZINC000573397952 334935293 /nfs/dbraw/zinc/93/52/93/334935293.db2.gz OSFDGOAMFJMFBE-IAGOWNOFSA-N 0 3 296.418 2.936 20 30 CFEDHN C[C@H]1C[C@@H](N(C)c2nc(C#N)c(Cl)s2)CCN1C ZINC000596137801 349804776 /nfs/dbraw/zinc/80/47/76/349804776.db2.gz XEFUZMZCYUSLGA-IUCAKERBSA-N 0 3 284.816 2.587 20 30 CFEDHN C=C(C)CN(CC)Cc1ccccc1N1CCOCC1 ZINC000159008421 136390843 /nfs/dbraw/zinc/39/08/43/136390843.db2.gz SEFOTBYVJSKEGO-UHFFFAOYSA-N 0 3 274.408 2.921 20 30 CFEDHN COc1cc(CNCCc2ncccc2C)ccc1C#N ZINC000295022179 199304035 /nfs/dbraw/zinc/30/40/35/199304035.db2.gz NFYYZKZOOYFCTE-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)COC ZINC001231217296 781922924 /nfs/dbraw/zinc/92/29/24/781922924.db2.gz PPCXRRAMRXNFBX-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN CN(c1nc(C#N)c(Cl)s1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000596231203 349834628 /nfs/dbraw/zinc/83/46/28/349834628.db2.gz HQJJVARGNIVXRL-ULKQDVFKSA-N 0 3 296.827 2.730 20 30 CFEDHN N#Cc1[n-]c(=NCCCCC[NH+]2CCCC2)sc1Cl ZINC000596245336 349838951 /nfs/dbraw/zinc/83/89/51/349838951.db2.gz XDVNIMRWACESIZ-UHFFFAOYSA-N 0 3 298.843 2.768 20 30 CFEDHN Cc1nn(C)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334937096 282296837 /nfs/dbraw/zinc/29/68/37/282296837.db2.gz UAVVWNZUJRWUGF-KRWDZBQOSA-N 0 3 280.375 2.767 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000596309320 349859303 /nfs/dbraw/zinc/85/93/03/349859303.db2.gz YLMIZVUVQQDCFZ-ZDUSSCGKSA-N 0 3 288.351 2.751 20 30 CFEDHN CN(CC(C)(C)C#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000353210332 529843048 /nfs/dbraw/zinc/84/30/48/529843048.db2.gz YYGRECJDKLAABQ-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN N#Cc1cc([N+](=O)[O-])ccc1NC1CCN(C2CC2)CC1 ZINC000073350500 346973492 /nfs/dbraw/zinc/97/34/92/346973492.db2.gz WIJJXHFAUIVNMY-UHFFFAOYSA-N 0 3 286.335 2.505 20 30 CFEDHN N#Cc1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000073350511 346973770 /nfs/dbraw/zinc/97/37/70/346973770.db2.gz ITOPEULUSZBIGY-UHFFFAOYSA-N 0 3 286.335 2.505 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000596335803 349868212 /nfs/dbraw/zinc/86/82/12/349868212.db2.gz IQZSNJXDTBCHKF-CYBMUJFWSA-N 0 3 284.407 2.727 20 30 CFEDHN CC(C)c1nnc(CCNCc2cccc(C#N)c2)s1 ZINC000492315935 534964399 /nfs/dbraw/zinc/96/43/99/534964399.db2.gz ZXJODFKAQNIKMQ-UHFFFAOYSA-N 0 3 286.404 2.865 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1cccc(C#N)c1 ZINC000075504391 347080404 /nfs/dbraw/zinc/08/04/04/347080404.db2.gz IFZJNJMRWLZTGJ-HUUCEWRRSA-N 0 3 299.418 3.000 20 30 CFEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000408089206 260224420 /nfs/dbraw/zinc/22/44/20/260224420.db2.gz ISTQFGPZHQBECD-KGLIPLIRSA-N 0 3 277.412 2.592 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000668369938 539431031 /nfs/dbraw/zinc/43/10/31/539431031.db2.gz ISVYWNGBCGGASZ-QGZVFWFLSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000668370255 539431504 /nfs/dbraw/zinc/43/15/04/539431504.db2.gz RQWYVOHOOGBIAL-NUEKZKHPSA-N 0 3 276.424 2.579 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(c2ccccc2O)CC1 ZINC000158562004 534996128 /nfs/dbraw/zinc/99/61/28/534996128.db2.gz CPKFMNHZKHOPSF-UHFFFAOYSA-N 0 3 287.407 2.844 20 30 CFEDHN Cc1noc(C)c1CCN1CCC(CCC#N)CC1 ZINC000573717866 334960476 /nfs/dbraw/zinc/96/04/76/334960476.db2.gz FKWZPYKBIGBBFT-UHFFFAOYSA-N 0 3 261.369 2.850 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000127510748 187311581 /nfs/dbraw/zinc/31/15/81/187311581.db2.gz MVEBHHXSGPZOPH-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2COC3(CCCCC3)O2)c1 ZINC000128288023 187361847 /nfs/dbraw/zinc/36/18/47/187361847.db2.gz KWODECQHYLBTCS-INIZCTEOSA-N 0 3 286.375 2.724 20 30 CFEDHN Cc1noc(C)c1[C@@H](C)CNCc1ccc(C#N)o1 ZINC000128324333 187364165 /nfs/dbraw/zinc/36/41/65/187364165.db2.gz JAWTVUMMHCCRET-VIFPVBQESA-N 0 3 259.309 2.649 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000677047982 539531894 /nfs/dbraw/zinc/53/18/94/539531894.db2.gz MMFYJTJQLWXRBV-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000668492436 539533209 /nfs/dbraw/zinc/53/32/09/539533209.db2.gz ANGJXOBUDMQMPO-GFCCVEGCSA-N 0 3 265.426 2.997 20 30 CFEDHN O=C(NCCN1CCCCCC1)c1cccc2c1OCO2 ZINC000328808075 539534615 /nfs/dbraw/zinc/53/46/15/539534615.db2.gz LTDSWKRGSJYHSH-UHFFFAOYSA-N 0 3 290.363 2.596 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(F)c2)nc(C)n1 ZINC000041574182 346353018 /nfs/dbraw/zinc/35/30/18/346353018.db2.gz BGNUYQXMBLJCTD-ZDUSSCGKSA-N 0 3 269.279 2.723 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041574276 346353244 /nfs/dbraw/zinc/35/32/44/346353244.db2.gz ZTFAMBYLADBARW-CQSZACIVSA-N 0 3 265.316 2.892 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1cccc(C)c1 ZINC000046342180 346426062 /nfs/dbraw/zinc/42/60/62/346426062.db2.gz BQCIDXHNQJBYBV-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCOCC)C(C)C ZINC000047851763 346459140 /nfs/dbraw/zinc/45/91/40/346459140.db2.gz IVNMUDJRNHLMTE-INIZCTEOSA-N 0 3 296.455 2.618 20 30 CFEDHN CCCCCN(CC(=O)N[C@@](C)(C#N)C1CC1)C(C)C ZINC000051709051 346506048 /nfs/dbraw/zinc/50/60/48/346506048.db2.gz VUQZSRDJHIIOQE-INIZCTEOSA-N 0 3 279.428 2.695 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000050027645 346489010 /nfs/dbraw/zinc/48/90/10/346489010.db2.gz XDIDODTZAQUWNV-UHFFFAOYSA-N 0 3 296.414 2.849 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)c1cc(F)ccc1F ZINC000051092547 346500128 /nfs/dbraw/zinc/50/01/28/346500128.db2.gz SFNSGSLAHSRBGP-AWEZNQCLSA-N 0 3 255.308 2.896 20 30 CFEDHN COc1ccc(N2CCCN(CCCC#N)CC2)cc1 ZINC000052466472 346523198 /nfs/dbraw/zinc/52/31/98/346523198.db2.gz VRZUECLBZCSHCN-UHFFFAOYSA-N 0 3 273.380 2.511 20 30 CFEDHN CCCCN(CCCC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000052870308 346531259 /nfs/dbraw/zinc/53/12/59/346531259.db2.gz RYLAEGKIOPWKRV-INIZCTEOSA-N 0 3 281.444 2.943 20 30 CFEDHN CN(CCCOCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000053607910 346550945 /nfs/dbraw/zinc/55/09/45/346550945.db2.gz KZYHVOVAEPAELC-UHFFFAOYSA-N 0 3 286.297 2.959 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000066410513 346759072 /nfs/dbraw/zinc/75/90/72/346759072.db2.gz XPVPFJZWYYJCTL-OAHLLOKOSA-N 0 3 299.418 2.904 20 30 CFEDHN C=CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000076048278 347116252 /nfs/dbraw/zinc/11/62/52/347116252.db2.gz OGYPHCGWIHZVFM-MRXNPFEDSA-N 0 3 287.407 2.699 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000076738152 347151377 /nfs/dbraw/zinc/15/13/77/347151377.db2.gz CEAPWTUCAHLSNI-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000077218356 347176035 /nfs/dbraw/zinc/17/60/35/347176035.db2.gz PMOBSJGVRDFZHF-UHFFFAOYSA-N 0 3 293.374 2.564 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(c2nnc[nH]2)CC1 ZINC000083424624 347450699 /nfs/dbraw/zinc/45/06/99/347450699.db2.gz PVDDUFPLLCDEEK-LBPRGKRZSA-N 0 3 281.363 2.617 20 30 CFEDHN O=C(C#Cc1ccccc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000081657041 347431582 /nfs/dbraw/zinc/43/15/82/347431582.db2.gz JVCOOGKGWSJYEC-GOSISDBHSA-N 0 3 296.414 2.515 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000085296611 347478763 /nfs/dbraw/zinc/47/87/63/347478763.db2.gz JZBQMEACILLGCQ-UHFFFAOYSA-N 0 3 290.794 2.932 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000090117595 347543779 /nfs/dbraw/zinc/54/37/79/347543779.db2.gz WBBSLPYOMKOCIY-HOCLYGCPSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(Cc2ccccn2)CC1 ZINC000091507270 347591371 /nfs/dbraw/zinc/59/13/71/347591371.db2.gz IFHUFSJDOMVGKX-INIZCTEOSA-N 0 3 273.424 2.944 20 30 CFEDHN CCN(Cc1ccc(OCCN(C)C)cc1)C[C@H](C)C#N ZINC000091982525 347605328 /nfs/dbraw/zinc/60/53/28/347605328.db2.gz UNVUBMCBJMFMMO-OAHLLOKOSA-N 0 3 289.423 2.609 20 30 CFEDHN N#Cc1c(Cl)nsc1N[C@H]1CCN2CCCC[C@@H]12 ZINC000092609694 347634326 /nfs/dbraw/zinc/63/43/26/347634326.db2.gz NBYZZHWBOSNLMN-UWVGGRQHSA-N 0 3 282.800 2.707 20 30 CFEDHN CCCN1CC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000092621869 347635099 /nfs/dbraw/zinc/63/50/99/347635099.db2.gz JDNRDKNLWLTOOP-SECBINFHSA-N 0 3 284.816 2.812 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093498494 347677486 /nfs/dbraw/zinc/67/74/86/347677486.db2.gz JDXKDAGYRWCFPW-CHWSQXEVSA-N 0 3 268.364 2.826 20 30 CFEDHN CC1CCC(N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000094160225 347693714 /nfs/dbraw/zinc/69/37/14/347693714.db2.gz RNWXVBXMPZTYMM-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN C[C@H](c1cccnc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000093235253 347666158 /nfs/dbraw/zinc/66/61/58/347666158.db2.gz GEOTZILFPXLJJQ-DYVFJYSZSA-N 0 3 281.359 2.680 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CCC)CCC)CC1 ZINC000106275335 347730749 /nfs/dbraw/zinc/73/07/49/347730749.db2.gz YQDKUJHPFBGKQG-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000111693273 347756339 /nfs/dbraw/zinc/75/63/39/347756339.db2.gz ZEURPSKHTJXKCE-CYBMUJFWSA-N 0 3 292.448 2.693 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCc2ccccc2CC1 ZINC000116300126 347786284 /nfs/dbraw/zinc/78/62/84/347786284.db2.gz HCJXBZNMPFBGJA-UHFFFAOYSA-N 0 3 286.419 2.512 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000144107356 347939629 /nfs/dbraw/zinc/93/96/29/347939629.db2.gz SPOVSPLQCYWDPK-UHFFFAOYSA-N 0 3 297.402 2.892 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NC(C)(C)CC ZINC000150894013 347957767 /nfs/dbraw/zinc/95/77/67/347957767.db2.gz TZJORORMKGOWND-UHFFFAOYSA-N 0 3 254.418 2.969 20 30 CFEDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)C1CCC1 ZINC000157592513 348001791 /nfs/dbraw/zinc/00/17/91/348001791.db2.gz KCPRXBSEMUPZDK-NEPJUHHUSA-N 0 3 271.364 2.663 20 30 CFEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)C1CCC1 ZINC000157753570 348002594 /nfs/dbraw/zinc/00/25/94/348002594.db2.gz AMCKLCHRQXEHQH-NEPJUHHUSA-N 0 3 271.364 2.663 20 30 CFEDHN N#CC1(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000159637029 348013470 /nfs/dbraw/zinc/01/34/70/348013470.db2.gz MSLYXWKZYRYIDM-GJZGRUSLSA-N 0 3 289.423 2.594 20 30 CFEDHN CCO[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000165461180 348039865 /nfs/dbraw/zinc/03/98/65/348039865.db2.gz SXHPHNANNIBCMF-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000185940841 348129350 /nfs/dbraw/zinc/12/93/50/348129350.db2.gz KXHPCUHNVVJLMN-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)[C@H]2CC)CC1 ZINC000187837586 348131629 /nfs/dbraw/zinc/13/16/29/348131629.db2.gz MAKQJXXUKSHFEK-GDBMZVCRSA-N 0 3 293.455 2.857 20 30 CFEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000233992994 348218354 /nfs/dbraw/zinc/21/83/54/348218354.db2.gz HUQBLCDPNPTHNI-UONOGXRCSA-N 0 3 261.394 2.717 20 30 CFEDHN CN1CCN(CCCCC(C)(C)C#N)CC1(C)C ZINC000234336856 348220323 /nfs/dbraw/zinc/22/03/23/348220323.db2.gz UPBUUNUESAENRJ-UHFFFAOYSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000668596240 539607244 /nfs/dbraw/zinc/60/72/44/539607244.db2.gz ZSHVEWODDBWOKU-DOTOQJQBSA-N 0 3 273.376 2.720 20 30 CFEDHN CCN1CCN(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000252924506 348299077 /nfs/dbraw/zinc/29/90/77/348299077.db2.gz LHTKWUIFELARCO-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1O ZINC000270534250 348331222 /nfs/dbraw/zinc/33/12/22/348331222.db2.gz WCYSRGYGXWPMAL-IAGOWNOFSA-N 0 3 270.376 2.850 20 30 CFEDHN C[C@@H](NCCCC1(C#N)CCOCC1)c1ccccn1 ZINC000281233324 348342542 /nfs/dbraw/zinc/34/25/42/348342542.db2.gz FOPMNYZCEHYNTL-CQSZACIVSA-N 0 3 273.380 2.833 20 30 CFEDHN COCC1(CN(C)Cc2ccc(C#N)cc2)CCC1 ZINC000291092133 348354056 /nfs/dbraw/zinc/35/40/56/348354056.db2.gz PPMQTHOLUWFEJZ-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@H]2CCN(C)C[C@@H]2C)c1C#N ZINC000273353960 192123872 /nfs/dbraw/zinc/12/38/72/192123872.db2.gz PODOQSBFWVDAAR-HZMBPMFUSA-N 0 3 292.814 2.692 20 30 CFEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413078434 233015216 /nfs/dbraw/zinc/01/52/16/233015216.db2.gz TZSPXSVFELTJCG-FRRDWIJNSA-N 0 3 290.386 2.871 20 30 CFEDHN CCN1CCCN(c2nc(C)c(C#N)cc2Cl)[C@H](C)C1 ZINC000320887951 348437499 /nfs/dbraw/zinc/43/74/99/348437499.db2.gz PKROQFUIVMCGTR-LLVKDONJSA-N 0 3 292.814 2.836 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C(C)C)C2)c1C#N ZINC000273381297 192133432 /nfs/dbraw/zinc/13/34/32/192133432.db2.gz SWIBLRPBZZVTJJ-LLVKDONJSA-N 0 3 278.787 2.810 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNc1ncc(C#N)cc1F ZINC000413136388 233023188 /nfs/dbraw/zinc/02/31/88/233023188.db2.gz OARGMYFDEDTMOZ-RYUDHWBXSA-N 0 3 276.359 2.767 20 30 CFEDHN Cc1[nH]c2c(cc(C)cc2CNC(=O)C(C)C#N)c1C ZINC000335999117 348450388 /nfs/dbraw/zinc/45/03/88/348450388.db2.gz PEEVJIRUWVJUAV-JTQLQIEISA-N 0 3 269.348 2.869 20 30 CFEDHN C=C(C)COCCNCc1c(C)nc2sc(C)cn12 ZINC000125764612 539642110 /nfs/dbraw/zinc/64/21/10/539642110.db2.gz PQEWCKBIWWJKOS-UHFFFAOYSA-N 0 3 279.409 2.695 20 30 CFEDHN CC[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388174758 348537526 /nfs/dbraw/zinc/53/75/26/348537526.db2.gz LHWPXEBBWYXIGB-IAGOWNOFSA-N 0 3 299.418 2.659 20 30 CFEDHN N#CC[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000397686578 348563293 /nfs/dbraw/zinc/56/32/93/348563293.db2.gz NJNAISPRSOBCQX-CQSZACIVSA-N 0 3 273.336 2.763 20 30 CFEDHN COC(=O)c1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000397684537 348563599 /nfs/dbraw/zinc/56/35/99/348563599.db2.gz MWWAZLYDNKAKAW-CYBMUJFWSA-N 0 3 272.348 2.599 20 30 CFEDHN CCN1CCN(c2cc(C#N)nc3ccccc32)[C@@H](C)C1 ZINC000588068880 348770743 /nfs/dbraw/zinc/77/07/43/348770743.db2.gz LBLUYSPAWKMMHA-ZDUSSCGKSA-N 0 3 280.375 2.637 20 30 CFEDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000588215871 348779802 /nfs/dbraw/zinc/77/98/02/348779802.db2.gz AAGNYICUMYFVLR-INIZCTEOSA-N 0 3 299.418 2.605 20 30 CFEDHN CN1CCC2(CCCN2C(=O)CCCCCC#N)CC1 ZINC000588663007 348791242 /nfs/dbraw/zinc/79/12/42/348791242.db2.gz KNMWQAKVJRLNOP-UHFFFAOYSA-N 0 3 277.412 2.547 20 30 CFEDHN CC(C)[C@H](Cn1cccn1)NCc1ccc(C#N)cc1F ZINC000585726054 348740711 /nfs/dbraw/zinc/74/07/11/348740711.db2.gz WIOALVBZRYAZGC-INIZCTEOSA-N 0 3 286.354 2.708 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2ccc(C#N)cc2C)C1 ZINC000588985745 348807501 /nfs/dbraw/zinc/80/75/01/348807501.db2.gz ZHNOYQVLHDDBKI-QGZVFWFLSA-N 0 3 272.392 2.851 20 30 CFEDHN Cc1ccc(C#N)nc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000589103365 348810752 /nfs/dbraw/zinc/81/07/52/348810752.db2.gz IVSKFXYIOSLCHP-QGZVFWFLSA-N 0 3 292.386 2.948 20 30 CFEDHN COCC[C@H](COC)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589350337 348829352 /nfs/dbraw/zinc/82/93/52/348829352.db2.gz KDNUJQVRHVJBAN-NVXWUHKLSA-N 0 3 288.391 2.577 20 30 CFEDHN Cn1ncc2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc21 ZINC000589727740 348853811 /nfs/dbraw/zinc/85/38/11/348853811.db2.gz BFZHWDDSTBEKQS-IUODEOHRSA-N 0 3 268.364 2.745 20 30 CFEDHN Cn1ncc2ccc(CN[C@H]3CCC[C@@H](C#N)C3)cc21 ZINC000589727725 348853896 /nfs/dbraw/zinc/85/38/96/348853896.db2.gz BFZHWDDSTBEKQS-DOMZBBRYSA-N 0 3 268.364 2.745 20 30 CFEDHN N#Cc1csc(CN[C@H]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000589938209 348864934 /nfs/dbraw/zinc/86/49/34/348864934.db2.gz JOQGTFCLUOMYBE-ONGXEEELSA-N 0 3 290.310 2.555 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ccccn3)CC2)C1 ZINC000590169089 348881739 /nfs/dbraw/zinc/88/17/39/348881739.db2.gz CWBWEJICRFFBCK-DZGCQCFKSA-N 0 3 255.365 2.953 20 30 CFEDHN CCOc1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000590169757 348881758 /nfs/dbraw/zinc/88/17/58/348881758.db2.gz GIWCAPYUISGLKC-ZDUSSCGKSA-N 0 3 262.353 2.666 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(C#N)cc1F ZINC000590746093 348940855 /nfs/dbraw/zinc/94/08/55/348940855.db2.gz XNOYPBIVLMXNLK-LMCGPQHNSA-N 0 3 262.328 2.914 20 30 CFEDHN C[C@]12CN(C[C@@H](C#N)CCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000590765076 348944666 /nfs/dbraw/zinc/94/46/66/348944666.db2.gz PTAIYSOHKZFOKD-IBEHDNSVSA-N 0 3 257.381 2.798 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(C)C ZINC000668683471 539693586 /nfs/dbraw/zinc/69/35/86/539693586.db2.gz WSTYFQZSSAVQNO-HZMVEIRTSA-N 0 3 290.451 2.847 20 30 CFEDHN C=C(C)COc1cc(CNC2([C@@H](C)O)CC2)ccc1OC ZINC000668698075 539701600 /nfs/dbraw/zinc/70/16/00/539701600.db2.gz SQLHQCGRKDUNKM-CYBMUJFWSA-N 0 3 291.391 2.653 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000668704143 539705489 /nfs/dbraw/zinc/70/54/89/539705489.db2.gz CAFHBUVAUYUMDW-HOTGVXAUSA-N 0 3 273.376 2.720 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000592068496 349078548 /nfs/dbraw/zinc/07/85/48/349078548.db2.gz ZTZKKNDAFSJSMR-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN CC(C)[C@H](NCc1ccncc1C#N)C1(CO)CCCC1 ZINC000592124939 349086665 /nfs/dbraw/zinc/08/66/65/349086665.db2.gz NMOJSRWIVGGOKR-INIZCTEOSA-N 0 3 287.407 2.620 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2cccnc2)C1 ZINC000592140147 349090206 /nfs/dbraw/zinc/09/02/06/349090206.db2.gz JZAMNGLUGRWXAB-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN N#CC[C@@]1(O)CCN(CCCSCc2ccccc2)C1 ZINC000592150825 349091098 /nfs/dbraw/zinc/09/10/98/349091098.db2.gz HITZCSCUEHTNPG-MRXNPFEDSA-N 0 3 290.432 2.660 20 30 CFEDHN C[C@H](c1ccc2c(c1)CCC2)N1CC[C@](O)(CC#N)C1 ZINC000592152772 349092375 /nfs/dbraw/zinc/09/23/75/349092375.db2.gz CXNMKNACSLTXRB-CXAGYDPISA-N 0 3 270.376 2.587 20 30 CFEDHN Cc1cc(SCCCN2CCN(C)CC2)ccc1C#N ZINC000592355503 349107781 /nfs/dbraw/zinc/10/77/81/349107781.db2.gz MBXKGJQEOYZPEU-UHFFFAOYSA-N 0 3 289.448 2.596 20 30 CFEDHN CCN(CCOc1cccc(C#N)c1)CCSC ZINC000592202404 349099964 /nfs/dbraw/zinc/09/99/64/349099964.db2.gz IXOQHLIWRCVBGD-UHFFFAOYSA-N 0 3 264.394 2.622 20 30 CFEDHN C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000592368417 349110624 /nfs/dbraw/zinc/11/06/24/349110624.db2.gz IGBMCQLZKMGQNA-DJSGYFEHSA-N 0 3 256.349 2.703 20 30 CFEDHN Cc1cncc(CCN(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000593004185 349185023 /nfs/dbraw/zinc/18/50/23/349185023.db2.gz RILMDUSTVINEJX-UHFFFAOYSA-N 0 3 292.386 2.864 20 30 CFEDHN C[C@H]1CN(CCCC(C)(C)C#N)C2(CCC2)CO1 ZINC000593091626 349206467 /nfs/dbraw/zinc/20/64/67/349206467.db2.gz JBEGIOUYUUANSJ-ZDUSSCGKSA-N 0 3 250.386 2.960 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C2(CCC2)CO1 ZINC000593091657 349206604 /nfs/dbraw/zinc/20/66/04/349206604.db2.gz JKWUHPMONYSNGF-OAHLLOKOSA-N 0 3 292.423 2.730 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000593616547 349299669 /nfs/dbraw/zinc/29/96/69/349299669.db2.gz NSVISZKJACEVHL-NVXWUHKLSA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@@H](C#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000593452014 349273829 /nfs/dbraw/zinc/27/38/29/349273829.db2.gz XHBJRWBZBSFNML-KBPBESRZSA-N 0 3 287.407 2.782 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593882839 349332054 /nfs/dbraw/zinc/33/20/54/349332054.db2.gz JZRRVPFBJRNXPV-SECBINFHSA-N 0 3 282.265 2.970 20 30 CFEDHN C[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)N1[C@H](C)CC[C@H]1C ZINC000593890576 349333078 /nfs/dbraw/zinc/33/30/78/349333078.db2.gz FPFPOGZIMFOXNK-MCIONIFRSA-N 0 3 297.402 2.662 20 30 CFEDHN CCC(C)(C)N1CCN(CCC(C)(C)C#N)CC1 ZINC000594019924 349354803 /nfs/dbraw/zinc/35/48/03/349354803.db2.gz DEOJYMDKASTZQN-UHFFFAOYSA-N 0 3 251.418 2.732 20 30 CFEDHN COc1cc(CN2CC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC000593697584 349312593 /nfs/dbraw/zinc/31/25/93/349312593.db2.gz MMEBKLILVMUMMP-CQSZACIVSA-N 0 3 278.302 2.798 20 30 CFEDHN CCC(C#N)C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 ZINC000593715009 349313946 /nfs/dbraw/zinc/31/39/46/349313946.db2.gz FWIPFMFDAADOGK-GFCCVEGCSA-N 0 3 274.368 2.607 20 30 CFEDHN C[C@@H](NCCC1(CO)CCC1)c1ccc(C#N)cc1F ZINC000593718740 349314734 /nfs/dbraw/zinc/31/47/34/349314734.db2.gz QNLSXTDBKYAHGC-GFCCVEGCSA-N 0 3 276.355 2.901 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000593744834 349318807 /nfs/dbraw/zinc/31/88/07/349318807.db2.gz KRRJVYYIUVESAZ-UPJWGTAASA-N 0 3 294.395 2.505 20 30 CFEDHN N#CCCCCCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594194949 349392912 /nfs/dbraw/zinc/39/29/12/349392912.db2.gz BKAZGTOLHHJVPX-HUUCEWRRSA-N 0 3 277.412 2.594 20 30 CFEDHN N#CC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000594204695 349394533 /nfs/dbraw/zinc/39/45/33/349394533.db2.gz WWKYWTULVNDNEU-HUUCEWRRSA-N 0 3 289.423 2.594 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594258000 349401601 /nfs/dbraw/zinc/40/16/01/349401601.db2.gz YACVCVJLFRBQAM-FUHWJXTLSA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@H](C#N)N(C)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594094459 349375461 /nfs/dbraw/zinc/37/54/61/349375461.db2.gz KLSSUBUMXRCFFU-IAGOWNOFSA-N 0 3 299.418 2.659 20 30 CFEDHN 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COCC#CCN(C)CC(C)(C)c1ccc(C)cc1 ZINC000677820187 539794769 /nfs/dbraw/zinc/79/47/69/539794769.db2.gz ITGRBSZLSKPLLJ-UHFFFAOYSA-N 0 3 259.393 2.854 20 30 CFEDHN CC[C@@H](NCc1ccc[nH]c1=O)c1ccc(C#N)cc1 ZINC000599088737 350374051 /nfs/dbraw/zinc/37/40/51/350374051.db2.gz UEYUFLISDYFBGH-OAHLLOKOSA-N 0 3 267.332 2.900 20 30 CFEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599278066 350405394 /nfs/dbraw/zinc/40/53/94/350405394.db2.gz WKOCXWQKOBVCHM-MRXNPFEDSA-N 0 3 299.418 2.605 20 30 CFEDHN C[C@H](NCCN(C)CC(F)F)c1ccc(C#N)c(F)c1 ZINC000599095412 350375173 /nfs/dbraw/zinc/37/51/73/350375173.db2.gz UAMYPCAKLFVDGZ-JTQLQIEISA-N 0 3 285.313 2.545 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)o1 ZINC000092066737 180316280 /nfs/dbraw/zinc/31/62/80/180316280.db2.gz VFNIGWLJUIRBTB-CXAGYDPISA-N 0 3 285.391 2.600 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC1CCOCC1 ZINC000599439672 350439503 /nfs/dbraw/zinc/43/95/03/350439503.db2.gz BADZAMRBYKSIQF-AWEZNQCLSA-N 0 3 288.391 2.747 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599434949 350437749 /nfs/dbraw/zinc/43/77/49/350437749.db2.gz NGLMKQMMXZXCIK-OAHLLOKOSA-N 0 3 271.408 2.783 20 30 CFEDHN COc1ccc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1F ZINC000599349992 350420762 /nfs/dbraw/zinc/42/07/62/350420762.db2.gz QUBSZFKJMIIVPZ-AAEUAGOBSA-N 0 3 292.354 2.540 20 30 CFEDHN COc1ccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)cc1F ZINC000599349993 350420831 /nfs/dbraw/zinc/42/08/31/350420831.db2.gz QUBSZFKJMIIVPZ-DGCLKSJQSA-N 0 3 292.354 2.540 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](CCO)CC2)cc1C#N ZINC000599439932 350439209 /nfs/dbraw/zinc/43/92/09/350439209.db2.gz BAVKSGMRFNOXCE-OAHLLOKOSA-N 0 3 272.392 2.851 20 30 CFEDHN CC[C@@H]1CN(Cc2ccc(C)c(C#N)c2)CCCO1 ZINC000599396783 350430879 /nfs/dbraw/zinc/43/08/79/350430879.db2.gz KGMXGLXXAMSRPU-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599516183 350448690 /nfs/dbraw/zinc/44/86/90/350448690.db2.gz XJBRQCMAOWFTTJ-GRYCIOLGSA-N 0 3 274.355 2.510 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000599525848 350450147 /nfs/dbraw/zinc/45/01/47/350450147.db2.gz AGBDONVYEPVBBE-ZDUSSCGKSA-N 0 3 256.349 2.965 20 30 CFEDHN COc1ccc(C(C)(C)NCCOCCC#N)cc1F ZINC000599597021 350462324 /nfs/dbraw/zinc/46/23/24/350462324.db2.gz HMCVCFOOIVBHHX-UHFFFAOYSA-N 0 3 280.343 2.589 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2[C@H](C)CO)cc1C#N ZINC000599465295 350441730 /nfs/dbraw/zinc/44/17/30/350441730.db2.gz FGCLDVLIZIMRSP-RHSMWYFYSA-N 0 3 272.392 2.850 20 30 CFEDHN Cc1ccc(CN(C)CC2=CCCOC2)cc1C#N ZINC000599469397 350442481 /nfs/dbraw/zinc/44/24/81/350442481.db2.gz FDZYTPVWDANVJB-UHFFFAOYSA-N 0 3 256.349 2.645 20 30 CFEDHN C[C@H](CN(C)CC(=O)NC1(C#N)CCC1)C1CCCCC1 ZINC000599633038 350468999 /nfs/dbraw/zinc/46/89/99/350468999.db2.gz KQYACTBTKBLIHW-CQSZACIVSA-N 0 3 291.439 2.697 20 30 CFEDHN N#CCCCN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599641760 350470656 /nfs/dbraw/zinc/47/06/56/350470656.db2.gz QCHIGSMDIWHFKH-UHFFFAOYSA-N 0 3 288.395 2.895 20 30 CFEDHN C=CCCCN1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599667005 350476300 /nfs/dbraw/zinc/47/63/00/350476300.db2.gz BNUNBAYCFNBHQW-OAHLLOKOSA-N 0 3 259.349 2.725 20 30 CFEDHN N#CCc1cccc2c1CCN(Cc1cccc(N)c1)C2 ZINC000599677936 350479762 /nfs/dbraw/zinc/47/97/62/350479762.db2.gz NEDJWCLYNXEDMT-UHFFFAOYSA-N 0 3 277.371 2.893 20 30 CFEDHN CC1(C)C[C@H](N2CCc3c(CC#N)cccc3C2)CO1 ZINC000599679113 350480947 /nfs/dbraw/zinc/48/09/47/350480947.db2.gz WHZOFKWHXOILDR-HNNXBMFYSA-N 0 3 270.376 2.678 20 30 CFEDHN COC(=O)C1C[C@H](C)N(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000599690684 350483974 /nfs/dbraw/zinc/48/39/74/350483974.db2.gz PBZUCAKJMDSQBK-STQMWFEESA-N 0 3 286.375 2.720 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCCOC1 ZINC000107064494 186159206 /nfs/dbraw/zinc/15/92/06/186159206.db2.gz IHJMMJREAKMRST-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN CCOCCN(C(=O)C(C)C#N)[C@@H]1CCc2ccccc21 ZINC000600449792 350556372 /nfs/dbraw/zinc/55/63/72/350556372.db2.gz VYFJSYOVLZXBCR-XJKSGUPXSA-N 0 3 286.375 2.699 20 30 CFEDHN C=CCN(C[C@H](O)COCc1ccccc1Cl)C1CC1 ZINC000271389592 191111682 /nfs/dbraw/zinc/11/16/82/191111682.db2.gz JUHOUFFTVJNUEX-HNNXBMFYSA-N 0 3 295.810 2.868 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2cc3ccccc3o2)CC1 ZINC000600715116 350599857 /nfs/dbraw/zinc/59/98/57/350599857.db2.gz FAWSOLRHVYVTMF-CYBMUJFWSA-N 0 3 270.332 2.577 20 30 CFEDHN Cc1ccc(CN2CCc3ccccc3[C@H]2CN)cc1C#N ZINC000600711625 350600177 /nfs/dbraw/zinc/60/01/77/350600177.db2.gz SRRXMSUMWSNMHF-LJQANCHMSA-N 0 3 291.398 2.925 20 30 CFEDHN N#C[C@H]1CC[C@@H](n2cc(CNC3CCCCC3)nn2)C1 ZINC000600812749 350616354 /nfs/dbraw/zinc/61/63/54/350616354.db2.gz FHAAVVSDQVDYPP-SWLSCSKDSA-N 0 3 273.384 2.565 20 30 CFEDHN Cc1cccc2c1CNCCN2Cc1ccc(C#N)o1 ZINC000600769540 350607895 /nfs/dbraw/zinc/60/78/95/350607895.db2.gz NYJRBHUFOPTWGE-UHFFFAOYSA-N 0 3 267.332 2.570 20 30 CFEDHN COc1ccc(-c2cccc([C@H]3CNCCO3)c2)c(C#N)c1 ZINC000600790291 350612641 /nfs/dbraw/zinc/61/26/41/350612641.db2.gz JAOYRLBZZIMEMC-GOSISDBHSA-N 0 3 294.354 2.895 20 30 CFEDHN CC(C)(CNC(=O)c1ccccc1CC#N)N1CCCCC1 ZINC000600945267 350634890 /nfs/dbraw/zinc/63/48/90/350634890.db2.gz ZIVBTPDWPHOWOL-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN N#Cc1ccc(C2(NCc3ccc(=O)[nH]c3)CCC2)cc1 ZINC000601129790 350676688 /nfs/dbraw/zinc/67/66/88/350676688.db2.gz BFIWRUDMQAOMCM-UHFFFAOYSA-N 0 3 279.343 2.828 20 30 CFEDHN CC(C)(NCc1ccc(=O)[nH]c1)c1cccc(C#N)c1 ZINC000601131628 350677282 /nfs/dbraw/zinc/67/72/82/350677282.db2.gz NUIDBZFWOFMBGS-UHFFFAOYSA-N 0 3 267.332 2.684 20 30 CFEDHN N#Cc1ccc(CCNCc2ccnn2CC2CCC2)cc1 ZINC000601131176 350677739 /nfs/dbraw/zinc/67/77/39/350677739.db2.gz VGGKSMXNNNXPQF-UHFFFAOYSA-N 0 3 294.402 2.887 20 30 CFEDHN C[C@@](CO)(Cc1ccccc1F)NCc1ccc(C#N)cc1 ZINC000601152890 350683093 /nfs/dbraw/zinc/68/30/93/350683093.db2.gz IJQIQHXMPYAUDM-SFHVURJKSA-N 0 3 298.361 2.781 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1c1nc(C#N)c(Cl)s1 ZINC000601188072 350692186 /nfs/dbraw/zinc/69/21/86/350692186.db2.gz BDGTYSUESZPLMR-SECBINFHSA-N 0 3 284.816 2.589 20 30 CFEDHN CC(C)CCC[C@@H](C)N1CCN(CCC#N)CC1 ZINC000601314910 350721751 /nfs/dbraw/zinc/72/17/51/350721751.db2.gz BOMLLHRAHFXMRQ-OAHLLOKOSA-N 0 3 251.418 2.732 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCn3nccc31)CC2 ZINC000601321033 350723622 /nfs/dbraw/zinc/72/36/22/350723622.db2.gz MZTJHSXINARXJZ-HOTGVXAUSA-N 0 3 278.359 2.867 20 30 CFEDHN N#Cc1c(F)cccc1CNCCCc1ccccn1 ZINC000602011900 350830299 /nfs/dbraw/zinc/83/02/99/350830299.db2.gz OFSBEJVVLPKUCI-UHFFFAOYSA-N 0 3 269.323 2.815 20 30 CFEDHN CCOCCC1(CNCc2cccc(F)c2C#N)CC1 ZINC000602011796 350830446 /nfs/dbraw/zinc/83/04/46/350830446.db2.gz LXOLBULDEMSMTO-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN C[C@@H](CNCc1cccc(F)c1C#N)c1ccncc1 ZINC000602011682 350830557 /nfs/dbraw/zinc/83/05/57/350830557.db2.gz JOCIVZAGUWPGKN-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H]1CCCCN1C1CC1 ZINC000602016679 350832124 /nfs/dbraw/zinc/83/21/24/350832124.db2.gz JCSOUMSZWLFSGL-HNNXBMFYSA-N 0 3 287.382 2.804 20 30 CFEDHN CC[C@@H](C[C@@H](C)CO)NCc1cccc(F)c1C#N ZINC000602015202 350832255 /nfs/dbraw/zinc/83/22/55/350832255.db2.gz ZGVKOLNKBBWKBE-YPMHNXCESA-N 0 3 264.344 2.584 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602017412 350833314 /nfs/dbraw/zinc/83/33/14/350833314.db2.gz PYQPDNHNYRVUAW-BBRMVZONSA-N 0 3 274.339 2.768 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)cc1Br ZINC000602218198 350853202 /nfs/dbraw/zinc/85/32/02/350853202.db2.gz KCZZBUIPPNHOBX-SECBINFHSA-N 0 3 281.153 2.533 20 30 CFEDHN C=C(C)CN1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602003180 350827990 /nfs/dbraw/zinc/82/79/90/350827990.db2.gz RWQYWCNWKPKKRB-UHFFFAOYSA-N 0 3 287.382 2.827 20 30 CFEDHN CC(C)C[C@@H](CNCc1cccc(F)c1C#N)N(C)C ZINC000602005180 350828392 /nfs/dbraw/zinc/82/83/92/350828392.db2.gz NMAUKRQSYKRSLK-AWEZNQCLSA-N 0 3 277.387 2.763 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H](CCO)c1ccccc1 ZINC000602006486 350828750 /nfs/dbraw/zinc/82/87/50/350828750.db2.gz LKMPATSACNZNPF-OAHLLOKOSA-N 0 3 298.361 2.953 20 30 CFEDHN CO[C@]1(C)C[C@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602482899 350901288 /nfs/dbraw/zinc/90/12/88/350901288.db2.gz JHIMUCRILBLIEZ-GOEBONIOSA-N 0 3 273.380 2.589 20 30 CFEDHN C[C@H](Cc1cccs1)NCc1cccc(C#N)n1 ZINC000602510316 350910549 /nfs/dbraw/zinc/91/05/49/350910549.db2.gz LYLPXNCEFRGIMU-LLVKDONJSA-N 0 3 257.362 2.736 20 30 CFEDHN CC(C)CC[C@H](N)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000602532998 350916847 /nfs/dbraw/zinc/91/68/47/350916847.db2.gz YBHYEWYMMYQPCM-HNNXBMFYSA-N 0 3 287.407 2.673 20 30 CFEDHN N#CCC1CCN(Cc2ccc3nccnc3c2)CC1 ZINC000602596992 350940578 /nfs/dbraw/zinc/94/05/78/350940578.db2.gz PHPMWMZYTOMVSP-UHFFFAOYSA-N 0 3 266.348 2.755 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1cccc(C#N)n1 ZINC000602551107 350921467 /nfs/dbraw/zinc/92/14/67/350921467.db2.gz MHQKTQWMUBJLBS-CZUORRHYSA-N 0 3 287.407 2.884 20 30 CFEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000602553310 350921770 /nfs/dbraw/zinc/92/17/70/350921770.db2.gz CRYOWUBEGJYAEO-ZFWWWQNUSA-N 0 3 279.428 2.682 20 30 CFEDHN COC[C@@H](NC[C@@H](C)CCC#N)c1ccc(C)o1 ZINC000602563696 350926170 /nfs/dbraw/zinc/92/61/70/350926170.db2.gz GOOHOKWJDWXCRI-WCQYABFASA-N 0 3 250.342 2.805 20 30 CFEDHN COc1ccccc1O[C@H](C)CNCc1cccc(C#N)n1 ZINC000602564912 350927047 /nfs/dbraw/zinc/92/70/47/350927047.db2.gz WREDQRQLNCIQPM-CYBMUJFWSA-N 0 3 297.358 2.519 20 30 CFEDHN C[C@H](O)C[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602569186 350928689 /nfs/dbraw/zinc/92/86/89/350928689.db2.gz OVBUYPITMKOHGB-GOEBONIOSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@H](C1CC1)N(C(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000602580053 350932942 /nfs/dbraw/zinc/93/29/42/350932942.db2.gz CQLUOLMPKWXLBA-CZUORRHYSA-N 0 3 285.391 2.839 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000602581390 350933943 /nfs/dbraw/zinc/93/39/43/350933943.db2.gz JIDODYZUIXCMAN-CQSZACIVSA-N 0 3 293.455 2.895 20 30 CFEDHN CCC[C@@H](CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602581109 350933973 /nfs/dbraw/zinc/93/39/73/350933973.db2.gz HHQUMQWOYMXPRP-HNNXBMFYSA-N 0 3 258.365 2.952 20 30 CFEDHN CC(C)C[C@H]1C[C@H](NCc2cccc(C#N)n2)CCO1 ZINC000602585392 350935676 /nfs/dbraw/zinc/93/56/76/350935676.db2.gz PLYXFRWYLKOIRY-CJNGLKHVSA-N 0 3 273.380 2.637 20 30 CFEDHN COc1ccccc1N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602427405 350878426 /nfs/dbraw/zinc/87/84/26/350878426.db2.gz GUSHRWQRVPNBCO-OAHLLOKOSA-N 0 3 287.407 2.757 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000602438805 350882884 /nfs/dbraw/zinc/88/28/84/350882884.db2.gz ARLWFHIJIDCUTA-CYBMUJFWSA-N 0 3 292.814 2.797 20 30 CFEDHN C[C@@H](CCC#N)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000602438137 350882899 /nfs/dbraw/zinc/88/28/99/350882899.db2.gz BCVGVCHNVWZTTI-LBPRGKRZSA-N 0 3 261.325 2.966 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000602461094 350890271 /nfs/dbraw/zinc/89/02/71/350890271.db2.gz XOTOEYNRGRJTRE-ZDUSSCGKSA-N 0 3 280.412 2.980 20 30 CFEDHN C[C@H](CCC#N)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000602466536 350892899 /nfs/dbraw/zinc/89/28/99/350892899.db2.gz AOMLMABOTINHJX-HZPDHXFCSA-N 0 3 286.423 2.700 20 30 CFEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cccc(C#N)n1 ZINC000602469284 350893767 /nfs/dbraw/zinc/89/37/67/350893767.db2.gz SJHYEQBDDHXKNF-CYBMUJFWSA-N 0 3 281.359 2.722 20 30 CFEDHN CCCN(Cc1cccc(C#N)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000602475793 350897637 /nfs/dbraw/zinc/89/76/37/350897637.db2.gz ZLZDNYFUSUGMKF-BRWVUGGUSA-N 0 3 299.418 2.979 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CCC[C@H]2CCO2)CC1 ZINC000602654021 350963041 /nfs/dbraw/zinc/96/30/41/350963041.db2.gz SJUISJVNPYIPSY-HNNXBMFYSA-N 0 3 285.391 2.508 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc2cncn2c1 ZINC000602689887 350980752 /nfs/dbraw/zinc/98/07/52/350980752.db2.gz GPOMDXYMBAHAMT-CQSZACIVSA-N 0 3 298.390 2.523 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)CC(F)(F)F ZINC000602690018 350980869 /nfs/dbraw/zinc/98/08/69/350980869.db2.gz IOTGWAKFIPODEY-SECBINFHSA-N 0 3 257.259 2.631 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H]1c1ccco1 ZINC000602690917 350981495 /nfs/dbraw/zinc/98/14/95/350981495.db2.gz BAYWJKDFYSHAOW-BFHYXJOUSA-N 0 3 274.364 2.824 20 30 CFEDHN N#CC1(CNC[C@@H]2CCN(c3ccccc3)C2)CCC1 ZINC000602695622 350983463 /nfs/dbraw/zinc/98/34/63/350983463.db2.gz BHCJITHNPUVTDU-HNNXBMFYSA-N 0 3 269.392 2.796 20 30 CFEDHN C[C@@H](CCC#N)CN[C@@H](CCO)c1ccccc1F ZINC000602696881 350985069 /nfs/dbraw/zinc/98/50/69/350985069.db2.gz LIURQWRGSIZLFO-WFASDCNBSA-N 0 3 264.344 2.779 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](c1ccccc1F)[C@H](C)O ZINC000602700387 350987227 /nfs/dbraw/zinc/98/72/27/350987227.db2.gz UAOFSQNXVMNNLI-TYNCELHUSA-N 0 3 264.344 2.777 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@H](C)OC2(CCCC2)C1 ZINC000602703609 350987860 /nfs/dbraw/zinc/98/78/60/350987860.db2.gz RBNPBNAHYFOVOU-KGLIPLIRSA-N 0 3 250.386 2.960 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc3nccnc3c2)C1 ZINC000602705451 350990016 /nfs/dbraw/zinc/99/00/16/350990016.db2.gz GDDGDXHTIQZUAT-ZDUSSCGKSA-N 0 3 266.348 2.755 20 30 CFEDHN C[C@@H](CCC#N)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000602712218 350994035 /nfs/dbraw/zinc/99/40/35/350994035.db2.gz CBVIUROGIJVORC-ZDUSSCGKSA-N 0 3 262.397 2.817 20 30 CFEDHN N#CC1(CNC2CC(n3cccn3)C2)CCCCC1 ZINC000602717697 350998196 /nfs/dbraw/zinc/99/81/96/350998196.db2.gz MIQDOALJXZGDAH-UHFFFAOYSA-N 0 3 258.369 2.650 20 30 CFEDHN CO[C@@H](CNCc1cccc(C#N)n1)C1CCCCC1 ZINC000602726098 351002394 /nfs/dbraw/zinc/00/23/94/351002394.db2.gz ZQKZRIGCMBIEHO-INIZCTEOSA-N 0 3 273.380 2.638 20 30 CFEDHN N#CC1CCC([NH2+][C@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000602611203 350945486 /nfs/dbraw/zinc/94/54/86/350945486.db2.gz DHEBCQIFXCWYHE-ZALBZXLWSA-N 0 3 281.363 2.566 20 30 CFEDHN N#CC1CCC(N[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000602611203 350945487 /nfs/dbraw/zinc/94/54/87/350945487.db2.gz DHEBCQIFXCWYHE-ZALBZXLWSA-N 0 3 281.363 2.566 20 30 CFEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000602625424 350950783 /nfs/dbraw/zinc/95/07/83/350950783.db2.gz ONUKVOXTFOZTBE-CHWSQXEVSA-N 0 3 267.417 2.538 20 30 CFEDHN CCOC(=O)[C@H](CC)N(C[C@@H](C)CCC#N)C1CC1 ZINC000602629214 350952299 /nfs/dbraw/zinc/95/22/99/350952299.db2.gz FQZZBFOZCYPFOW-JSGCOSHPSA-N 0 3 266.385 2.732 20 30 CFEDHN CN(CCOc1ccccc1F)CC1(CC#N)CC1 ZINC000602765176 351016952 /nfs/dbraw/zinc/01/69/52/351016952.db2.gz DTIBPQWTOAFJBC-UHFFFAOYSA-N 0 3 262.328 2.830 20 30 CFEDHN CC(C)(C)OC1CCN(CC2(CC#N)CC2)CC1 ZINC000602788850 351026229 /nfs/dbraw/zinc/02/62/29/351026229.db2.gz SCVZTKBTYCJSNQ-UHFFFAOYSA-N 0 3 250.386 2.960 20 30 CFEDHN CN(CC1(CC#N)CC1)CC1(O)CCCCCC1 ZINC000602813284 351035795 /nfs/dbraw/zinc/03/57/95/351035795.db2.gz WLAQKHYAEKHGHI-UHFFFAOYSA-N 0 3 250.386 2.697 20 30 CFEDHN Cn1cc([C@H]2CN(CC3(CC#N)CC3)CC2(C)C)cn1 ZINC000602833468 351039961 /nfs/dbraw/zinc/03/99/61/351039961.db2.gz VCOUEXPVHDCXKV-CQSZACIVSA-N 0 3 272.396 2.539 20 30 CFEDHN Cn1cc([C@@H]2CN(CC3(CC#N)CC3)CC2(C)C)cn1 ZINC000602833467 351040042 /nfs/dbraw/zinc/04/00/42/351040042.db2.gz VCOUEXPVHDCXKV-AWEZNQCLSA-N 0 3 272.396 2.539 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3cccnc3)C2)C1 ZINC000602852697 351045972 /nfs/dbraw/zinc/04/59/72/351045972.db2.gz GCXNCXWHWXYTAS-KBMXLJTQSA-N 0 3 255.365 2.953 20 30 CFEDHN C[C@H]1CN(Cc2cccc3cccnc32)C[C@H](C)N1CC#N ZINC000602853880 351046307 /nfs/dbraw/zinc/04/63/07/351046307.db2.gz MMRGRTLQJWANIN-GJZGRUSLSA-N 0 3 294.402 2.653 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3cccnc3)C2)C1 ZINC000602852695 351046350 /nfs/dbraw/zinc/04/63/50/351046350.db2.gz GCXNCXWHWXYTAS-BMFZPTHFSA-N 0 3 255.365 2.953 20 30 CFEDHN C[C@@H]1CN(CCCc2cccc(F)c2)C[C@@H](C)N1CC#N ZINC000602855122 351046795 /nfs/dbraw/zinc/04/67/95/351046795.db2.gz SEDXNFQFIKZXJS-HUUCEWRRSA-N 0 3 289.398 2.676 20 30 CFEDHN C[C@H]1CN(CCCc2ccccc2)C[C@H](C)N1CC#N ZINC000602856104 351047200 /nfs/dbraw/zinc/04/72/00/351047200.db2.gz KBLUTKDHZWNERH-HOTGVXAUSA-N 0 3 271.408 2.537 20 30 CFEDHN C[C@H](CCc1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859426 351048309 /nfs/dbraw/zinc/04/83/09/351048309.db2.gz YIMRAYGUODCXIB-ZACQAIPSSA-N 0 3 285.435 2.926 20 30 CFEDHN CCN1[C@H](C)CN([C@@H](C#N)c2ccccc2)C[C@@H]1C ZINC000602872948 351054233 /nfs/dbraw/zinc/05/42/33/351054233.db2.gz DYEDWZUEXNYRSJ-LZWOXQAQSA-N 0 3 257.381 2.666 20 30 CFEDHN N#Cc1cccc(OCCCN2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602883067 351057268 /nfs/dbraw/zinc/05/72/68/351057268.db2.gz VXGNWERYBDFEAP-KRWDZBQOSA-N 0 3 296.374 2.887 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907493 351062926 /nfs/dbraw/zinc/06/29/26/351062926.db2.gz MVQGIGXVPKBMID-ZDUSSCGKSA-N 0 3 268.364 2.825 20 30 CFEDHN Cc1cc(Cn2cc([C@@H](N)C(C)(C)C)nn2)ccc1C#N ZINC000603233862 351123284 /nfs/dbraw/zinc/12/32/84/351123284.db2.gz DNAGELPPRDEYMT-OAHLLOKOSA-N 0 3 283.379 2.552 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)n1cc(CNC2CCCC2)nn1 ZINC000603235235 351123976 /nfs/dbraw/zinc/12/39/76/351123976.db2.gz PQYJHYFEGUFAMQ-ZDUSSCGKSA-N 0 3 295.390 2.791 20 30 CFEDHN N#CCCOCCN1CCC2(CCSCC2)CC1 ZINC000602949202 351071748 /nfs/dbraw/zinc/07/17/48/351071748.db2.gz GCAIOHZPYZWAQB-UHFFFAOYSA-N 0 3 268.426 2.526 20 30 CFEDHN C=CCCCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961820 351072633 /nfs/dbraw/zinc/07/26/33/351072633.db2.gz DUVGFVBUDRTFFP-HNNXBMFYSA-N 0 3 278.352 2.748 20 30 CFEDHN CN(CCCCCn1cccn1)[C@@H]1CCC[C@H]1C#N ZINC000602978986 351080231 /nfs/dbraw/zinc/08/02/31/351080231.db2.gz ZLLSXTYPOUGEQD-LSDHHAIUSA-N 0 3 260.385 2.677 20 30 CFEDHN Cc1nccn1CCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602979532 351081171 /nfs/dbraw/zinc/08/11/71/351081171.db2.gz FJWQAPJHTHAFFV-HUUCEWRRSA-N 0 3 260.385 2.596 20 30 CFEDHN CC[C@]1(O)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000602981515 351082260 /nfs/dbraw/zinc/08/22/60/351082260.db2.gz FIVDXPKSEQLCFF-BBRMVZONSA-N 0 3 258.365 2.856 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602998018 351089552 /nfs/dbraw/zinc/08/95/52/351089552.db2.gz VYHSYKOMCFFZFE-ZACQAIPSSA-N 0 3 270.376 2.684 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@H](C)C(C)(C)C ZINC000603056906 351096930 /nfs/dbraw/zinc/09/69/30/351096930.db2.gz XCKXPFSYCRWAHG-XJKSGUPXSA-N 0 3 281.444 2.655 20 30 CFEDHN COCc1cc(C#N)ccc1N(C)CCN1CCCCC1 ZINC000603403603 351157739 /nfs/dbraw/zinc/15/77/39/351157739.db2.gz JTJQSMJYGIFZIX-UHFFFAOYSA-N 0 3 287.407 2.627 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)o1 ZINC000604553604 351218412 /nfs/dbraw/zinc/21/84/12/351218412.db2.gz AJYWNGWXGUPFOD-OAHLLOKOSA-N 0 3 282.347 2.629 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(C2CCCC2)CC1 ZINC000608501990 351447921 /nfs/dbraw/zinc/44/79/21/351447921.db2.gz FMEWMHIMEDHXLX-CYBMUJFWSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1ccc(CN(CCO)CCc2ccccc2)cc1 ZINC000609578144 351508871 /nfs/dbraw/zinc/50/88/71/351508871.db2.gz HNOPWYBFYMJHDU-UHFFFAOYSA-N 0 3 280.371 2.595 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CCO)C1 ZINC000609826674 351521884 /nfs/dbraw/zinc/52/18/84/351521884.db2.gz PJAWFFOSZQACPN-ZFWWWQNUSA-N 0 3 258.365 2.714 20 30 CFEDHN CCCC(=O)NC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822925 351521928 /nfs/dbraw/zinc/52/19/28/351521928.db2.gz UMLYGDZVXBQYJX-CQSZACIVSA-N 0 3 299.418 3.000 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000610150312 351535667 /nfs/dbraw/zinc/53/56/67/351535667.db2.gz JCHVEFVITAIZFI-WCBMZHEXSA-N 0 3 256.227 2.566 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1CCc2ccccc2C1 ZINC000609769892 351518935 /nfs/dbraw/zinc/51/89/35/351518935.db2.gz ZJDOESHYQQRUCL-LSDHHAIUSA-N 0 3 267.376 2.825 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C12CCCCC2 ZINC000610428886 351565822 /nfs/dbraw/zinc/56/58/22/351565822.db2.gz GBAWKARDSSFJGY-MGPQQGTHSA-N 0 3 278.396 2.732 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccc2ccccc2n1 ZINC000610813713 351612298 /nfs/dbraw/zinc/61/22/98/351612298.db2.gz QKZAODAEKSFOGQ-CQSZACIVSA-N 0 3 294.402 2.873 20 30 CFEDHN CC(C#N)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000610660602 351588974 /nfs/dbraw/zinc/58/89/74/351588974.db2.gz XMDZCBLYQJVDHX-SNVBAGLBSA-N 0 3 296.292 2.866 20 30 CFEDHN N#Cc1c(Cl)cccc1N1CCN(c2ccncc2)CC1 ZINC000610332060 351555098 /nfs/dbraw/zinc/55/50/98/351555098.db2.gz PAQCSSDYGVZLBW-UHFFFAOYSA-N 0 3 298.777 2.933 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)Cn2cccn2)cc1 ZINC000271441622 191139218 /nfs/dbraw/zinc/13/92/18/191139218.db2.gz GRZYULVUZPWJCK-HUUCEWRRSA-N 0 3 283.375 2.634 20 30 CFEDHN CCN1CCN(c2cc(C#N)nc3ccccc32)C[C@@H]1C ZINC000611084693 351639206 /nfs/dbraw/zinc/63/92/06/351639206.db2.gz KQGGENZKQITTDJ-ZDUSSCGKSA-N 0 3 280.375 2.637 20 30 CFEDHN C[C@H](CCc1ccccc1)N1CCN(CCC#N)CC1 ZINC000611175337 351646967 /nfs/dbraw/zinc/64/69/67/351646967.db2.gz DQJSMLFLERGHFH-MRXNPFEDSA-N 0 3 271.408 2.539 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC2(CCOC2)CC1 ZINC000611178176 351647681 /nfs/dbraw/zinc/64/76/81/351647681.db2.gz RLEXQQLPAQDAGU-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN CCC[C@@H](NC1CCN(CC#N)CC1)c1ccccn1 ZINC000611230844 351653446 /nfs/dbraw/zinc/65/34/46/351653446.db2.gz UZHVKZPQWZHOEW-MRXNPFEDSA-N 0 3 272.396 2.500 20 30 CFEDHN CCC[C@H](NC1CCN(CC#N)CC1)c1ccccn1 ZINC000611230843 351653641 /nfs/dbraw/zinc/65/36/41/351653641.db2.gz UZHVKZPQWZHOEW-INIZCTEOSA-N 0 3 272.396 2.500 20 30 CFEDHN CC(C)N(CCC#N)Cc1ccc(OCCN(C)C)cc1 ZINC000611259197 351660175 /nfs/dbraw/zinc/66/01/75/351660175.db2.gz YHMFSRBYKPEWTI-UHFFFAOYSA-N 0 3 289.423 2.751 20 30 CFEDHN N#CCC[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1 ZINC000610972157 351626825 /nfs/dbraw/zinc/62/68/25/351626825.db2.gz DMNNHSIDNJWSOV-GOEBONIOSA-N 0 3 295.390 2.559 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccnc(C#N)c2)C1 ZINC000610994969 351632183 /nfs/dbraw/zinc/63/21/83/351632183.db2.gz OZSPDPVHIBBIQU-SUMWQHHRSA-N 0 3 287.407 2.620 20 30 CFEDHN CS[C@H](CO)[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393460 351681013 /nfs/dbraw/zinc/68/10/13/351681013.db2.gz UMMAWGHTUQZKEM-IUIKQTSFSA-N 0 3 290.432 2.638 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](CO)CC(F)(F)F ZINC000611394536 351682480 /nfs/dbraw/zinc/68/24/80/351682480.db2.gz PEDDVPHDHOHXSI-TZMCWYRMSA-N 0 3 298.308 2.839 20 30 CFEDHN C=CCCC[C@H](C)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431834 351689257 /nfs/dbraw/zinc/68/92/57/351689257.db2.gz CSVWPDHASSNANK-JKSUJKDBSA-N 0 3 263.429 2.897 20 30 CFEDHN C[C@@H](N[C@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000611465891 351693379 /nfs/dbraw/zinc/69/33/79/351693379.db2.gz DMPNOAILZHBPNE-YGRLFVJLSA-N 0 3 262.328 2.509 20 30 CFEDHN CC(C)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550533 351707346 /nfs/dbraw/zinc/70/73/46/351707346.db2.gz GEVAZDWLNOHCBP-INIZCTEOSA-N 0 3 275.371 2.664 20 30 CFEDHN CCCCCN(CCCOC)Cc1ccnc(C#N)c1 ZINC000611554495 351707563 /nfs/dbraw/zinc/70/75/63/351707563.db2.gz RYCWBVKZJALGDY-UHFFFAOYSA-N 0 3 275.396 2.982 20 30 CFEDHN C=CCCCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551794 351707717 /nfs/dbraw/zinc/70/77/17/351707717.db2.gz UKZQGUAZOZSAOU-QGZVFWFLSA-N 0 3 287.382 2.974 20 30 CFEDHN C=CCN(CCC(=O)N(C)c1ccccc1)C1CC1 ZINC000271444747 191140696 /nfs/dbraw/zinc/14/06/96/191140696.db2.gz NCPVVTDHFZRSTE-UHFFFAOYSA-N 0 3 258.365 2.690 20 30 CFEDHN C[C@H](N[C@@H](C)C(C)(C)O)c1ccc(C#N)cc1F ZINC000611588544 351712157 /nfs/dbraw/zinc/71/21/57/351712157.db2.gz FJCPGQJPNFDAAN-UWVGGRQHSA-N 0 3 250.317 2.507 20 30 CFEDHN N#CCc1ccc(CN2CC[C@@H](C(F)F)C2)cc1 ZINC000612110391 351776958 /nfs/dbraw/zinc/77/69/58/351776958.db2.gz KIRVJYTYPJHKAG-CYBMUJFWSA-N 0 3 250.292 2.840 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN(CC)CC ZINC000122326905 187026864 /nfs/dbraw/zinc/02/68/64/187026864.db2.gz OJUMVTHCUMPIDL-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN C[C@H](NCc1ccnc(C#N)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000612530829 351831399 /nfs/dbraw/zinc/83/13/99/351831399.db2.gz OJQHLMBGFRSNJJ-LXIYXOSZSA-N 0 3 293.370 2.996 20 30 CFEDHN CC(C)OCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000612574870 351837143 /nfs/dbraw/zinc/83/71/43/351837143.db2.gz MGJFZSCXPJZTHO-MRXNPFEDSA-N 0 3 258.365 2.950 20 30 CFEDHN CC(C)(C#N)CNC1CCN(CCC(F)(F)F)CC1 ZINC000612584968 351839400 /nfs/dbraw/zinc/83/94/00/351839400.db2.gz KVRFOCNCFMJTFK-UHFFFAOYSA-N 0 3 277.334 2.543 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000122758878 187049844 /nfs/dbraw/zinc/04/98/44/187049844.db2.gz WPIZDVOOFLQSLO-OAHLLOKOSA-N 0 3 287.407 2.573 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000123774434 187108204 /nfs/dbraw/zinc/10/82/04/187108204.db2.gz KGISLRGWLKTXJR-XJKSGUPXSA-N 0 3 258.365 2.684 20 30 CFEDHN CCc1ccc([C@H](CNc2ccncc2C#N)N(C)C)cc1 ZINC000613535027 351976425 /nfs/dbraw/zinc/97/64/25/351976425.db2.gz LOGLZSAQBLLHNZ-SFHVURJKSA-N 0 3 294.402 2.652 20 30 CFEDHN CC(C)(C#N)CCN1CCOCC2(CCCC2)C1 ZINC000614222974 352064612 /nfs/dbraw/zinc/06/46/12/352064612.db2.gz XFJLBZHGCZSVPQ-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN CN(CC1(CC#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381813793 539829553 /nfs/dbraw/zinc/82/95/53/539829553.db2.gz BJJIFABMJPAFDY-KRWDZBQOSA-N 0 3 283.419 2.887 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CCO)C1 ZINC000614963188 352137316 /nfs/dbraw/zinc/13/73/16/352137316.db2.gz OMRQWJYHUWMLGU-ZIAGYGMSSA-N 0 3 258.365 2.714 20 30 CFEDHN CCCC(=O)NC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614397569 352089211 /nfs/dbraw/zinc/08/92/11/352089211.db2.gz GBGDYFLMQCOTAM-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@]1(CO)CCc2ccccc21 ZINC000614403841 352090081 /nfs/dbraw/zinc/09/00/81/352090081.db2.gz QYAIASHVYJBFRK-IBGZPJMESA-N 0 3 292.382 2.790 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000614402419 352090264 /nfs/dbraw/zinc/09/02/64/352090264.db2.gz GMVKDEXLRWPDQE-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C(F)F)C1 ZINC000614403372 352090470 /nfs/dbraw/zinc/09/04/70/352090470.db2.gz VVVUEPFHXGMDQM-CYBMUJFWSA-N 0 3 250.292 2.954 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(C#N)nc2ccccc21 ZINC000615496130 352199020 /nfs/dbraw/zinc/19/90/20/352199020.db2.gz FIHPALUUAWHBER-QWHCGFSZSA-N 0 3 280.375 2.635 20 30 CFEDHN C=CCCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292047917 198145146 /nfs/dbraw/zinc/14/51/46/198145146.db2.gz BAVXOEAEQZKQQW-UHFFFAOYSA-N 0 3 276.355 2.855 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617009352 352463697 /nfs/dbraw/zinc/46/36/97/352463697.db2.gz XJDJYMKZCFMVAQ-WFASDCNBSA-N 0 3 252.402 2.578 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617009349 352463761 /nfs/dbraw/zinc/46/37/61/352463761.db2.gz XJDJYMKZCFMVAQ-DOMZBBRYSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC000617036713 352474023 /nfs/dbraw/zinc/47/40/23/352474023.db2.gz DGZUKGLSVWQTGQ-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000617927679 352674206 /nfs/dbraw/zinc/67/42/06/352674206.db2.gz ALWLGVPRSUYOKQ-OAHLLOKOSA-N 0 3 264.413 2.698 20 30 CFEDHN COc1nc(C)cc(C)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000618568709 352811817 /nfs/dbraw/zinc/81/18/17/352811817.db2.gz YFQUXVGDVRQJNV-ZIAGYGMSSA-N 0 3 273.380 2.879 20 30 CFEDHN N#Cc1ccc(OCCN[C@H](CCO)c2ccccc2)cc1 ZINC000271639579 191253129 /nfs/dbraw/zinc/25/31/29/191253129.db2.gz GZBIGISLFZXIKB-GOSISDBHSA-N 0 3 296.370 2.650 20 30 CFEDHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618801803 352883139 /nfs/dbraw/zinc/88/31/39/352883139.db2.gz CEGTWJRNOHRGEN-MGPLVRAMSA-N 0 3 266.348 2.928 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC1 ZINC000619305703 352990802 /nfs/dbraw/zinc/99/08/02/352990802.db2.gz SOYUFZZKQCJVFI-MLGOLLRUSA-N 0 3 281.359 2.545 20 30 CFEDHN C[C@H](CN1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C ZINC000619844075 353068369 /nfs/dbraw/zinc/06/83/69/353068369.db2.gz LJWIGKYIGHJFHK-CQSZACIVSA-N 0 3 286.423 2.757 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](Cn2cccn2)c2ccccc2)C1 ZINC000619672793 353047588 /nfs/dbraw/zinc/04/75/88/353047588.db2.gz AMPHTUNHLVLJSC-HYVNUMGLSA-N 0 3 280.375 2.906 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H](Cn2cccn2)c2ccccc2)C1 ZINC000619672792 353047725 /nfs/dbraw/zinc/04/77/25/353047725.db2.gz AMPHTUNHLVLJSC-DJIMGWMZSA-N 0 3 280.375 2.906 20 30 CFEDHN CC(C)OC[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619715417 353056205 /nfs/dbraw/zinc/05/62/05/353056205.db2.gz AVCJUZHXEZQEBL-BLLLJJGKSA-N 0 3 258.365 2.949 20 30 CFEDHN C=CCNC(=O)CN(Cc1ccccc1)C(C)(C)C ZINC000152300408 188007668 /nfs/dbraw/zinc/00/76/68/188007668.db2.gz AKSRZFYJWYKUOG-UHFFFAOYSA-N 0 3 260.381 2.589 20 30 CFEDHN C#CCSCCNCc1cn(-c2ccccc2)nc1C ZINC000152928388 188052989 /nfs/dbraw/zinc/05/29/89/188052989.db2.gz XGRZAQSTDKACBD-UHFFFAOYSA-N 0 3 285.416 2.637 20 30 CFEDHN C#CCSCCNC/C=C/c1ccccc1OC ZINC000152930817 188053516 /nfs/dbraw/zinc/05/35/16/188053516.db2.gz SCBLDVJLBNWVNK-SOFGYWHQSA-N 0 3 261.390 2.664 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3C[C@H]4CCC[C@@H]4C3)o2)cc1 ZINC000153128831 188065754 /nfs/dbraw/zinc/06/57/54/188065754.db2.gz XTWRBNWAXDVPTJ-HUUCEWRRSA-N 0 3 294.358 2.840 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1CCC ZINC000620313078 353150269 /nfs/dbraw/zinc/15/02/69/353150269.db2.gz VATSGRQZKPNRLV-QLFBSQMISA-N 0 3 262.397 2.570 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000620310470 353150339 /nfs/dbraw/zinc/15/03/39/353150339.db2.gz NZSPELNIAGUKGK-XFIYOXNOSA-N 0 3 276.424 2.957 20 30 CFEDHN CN(C)Cc1ccnc(NCc2ccc(C#N)cc2)c1 ZINC000153255790 188073514 /nfs/dbraw/zinc/07/35/14/188073514.db2.gz YPULOPRUAOLDDE-UHFFFAOYSA-N 0 3 266.348 2.627 20 30 CFEDHN C#CC[C@H](NCCn1c(C)csc1=O)c1ccccc1 ZINC000271676997 191271963 /nfs/dbraw/zinc/27/19/63/191271963.db2.gz HSDLCDRHVLHOOP-HNNXBMFYSA-N 0 3 286.400 2.572 20 30 CFEDHN C=CCC1(C(=O)N2CCN[C@@H](C(C)C)C2)CCCC1 ZINC000621160515 353290820 /nfs/dbraw/zinc/29/08/20/353290820.db2.gz GEQHMUPUEDPAKF-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000156620699 188272593 /nfs/dbraw/zinc/27/25/93/188272593.db2.gz WLCBHUJWSPGHFK-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN Cc1cnc(CCN(C)Cc2cccc(C#N)c2)s1 ZINC000157612701 188327611 /nfs/dbraw/zinc/32/76/11/188327611.db2.gz MKQKVKXZVFPLGZ-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN CN(CCC#N)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000157657067 188331032 /nfs/dbraw/zinc/33/10/32/188331032.db2.gz ULOQXPQOZQZBAU-UHFFFAOYSA-N 0 3 299.418 2.661 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)C23CCCC3)c(F)c1 ZINC000292617926 198353256 /nfs/dbraw/zinc/35/32/56/198353256.db2.gz FWBUIKWXJDTPQQ-HNNXBMFYSA-N 0 3 274.339 2.577 20 30 CFEDHN C=CC(C)(C)CCNCc1c(Br)cnn1C ZINC000623592965 353680698 /nfs/dbraw/zinc/68/06/98/353680698.db2.gz MDPQETFBTXOPRO-UHFFFAOYSA-N 0 3 286.217 2.875 20 30 CFEDHN C=CCOCCNCc1ccc(OC)c(OC2CC2)c1 ZINC000623487775 353655198 /nfs/dbraw/zinc/65/51/98/353655198.db2.gz SKURCIJVNWRXSX-UHFFFAOYSA-N 0 3 277.364 2.529 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000624015862 353785141 /nfs/dbraw/zinc/78/51/41/353785141.db2.gz HPAWZZKVBFVJTJ-NOZJJQNGSA-N 0 3 255.720 2.603 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2scnc21 ZINC000624003801 353780962 /nfs/dbraw/zinc/78/09/62/353780962.db2.gz JOGJHIUFLMMQHQ-TUAOUCFPSA-N 0 3 264.394 2.701 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624178318 353825732 /nfs/dbraw/zinc/82/57/32/353825732.db2.gz AUASCQAEMIRFHD-OAHLLOKOSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000624326777 353863126 /nfs/dbraw/zinc/86/31/26/353863126.db2.gz UUZSGLINHMCWNV-KKUMJFAQSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624787082 353945878 /nfs/dbraw/zinc/94/58/78/353945878.db2.gz OXBJLQKPZNXKND-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN C=C(CC)CN(Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC000625390590 354038966 /nfs/dbraw/zinc/03/89/66/354038966.db2.gz UZAODTIYDNOOJI-QGZVFWFLSA-N 0 3 275.392 2.606 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NC2CCCCCC2)C1 ZINC000625699420 354088404 /nfs/dbraw/zinc/08/84/04/354088404.db2.gz DUVSSKPIPSLEAO-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCOCCNC(C)(C)c1ccc(OC)c(F)c1 ZINC000625856424 354129537 /nfs/dbraw/zinc/12/95/37/354129537.db2.gz UUGGFVRERFSQOS-UHFFFAOYSA-N 0 3 267.344 2.862 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)Nc2ccccc2CNC)C1 ZINC000625895612 354135030 /nfs/dbraw/zinc/13/50/30/354135030.db2.gz UXXZSTGOLHWDGQ-ZDUSSCGKSA-N 0 3 273.380 2.836 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)c2ccccc2)C1 ZINC000625702905 354090375 /nfs/dbraw/zinc/09/03/75/354090375.db2.gz JSGYMFJYPOLGIC-CQSZACIVSA-N 0 3 258.365 2.547 20 30 CFEDHN CCC(O)(CC)CN(C)CC#Cc1ccc(F)cc1 ZINC000626111640 354195879 /nfs/dbraw/zinc/19/58/79/354195879.db2.gz VHQBLWJHASFZNI-UHFFFAOYSA-N 0 3 263.356 2.660 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)CN(C)C1CCC1 ZINC000629950943 354959665 /nfs/dbraw/zinc/95/96/65/354959665.db2.gz IEQBPCKNVHJMHY-UHFFFAOYSA-N 0 3 290.382 2.825 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCN(CC3CCCCC3)CC2)C1 ZINC000335909796 283066828 /nfs/dbraw/zinc/06/68/28/283066828.db2.gz XIPJZAVKTFZWPD-DLBZAZTESA-N 0 3 275.440 2.877 20 30 CFEDHN C=C[C@@H](CC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000271772533 191317044 /nfs/dbraw/zinc/31/70/44/191317044.db2.gz AOCNLRXHMSDCRE-INIZCTEOSA-N 0 3 284.403 2.724 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000630741253 355165803 /nfs/dbraw/zinc/16/58/03/355165803.db2.gz RZKSZNQVCMSNIN-JSGCOSHPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000172757677 188825381 /nfs/dbraw/zinc/82/53/81/188825381.db2.gz QRPXTJZOHXPCOP-UHFFFAOYSA-N 0 3 275.352 2.966 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](CC)c1cccc(OC)c1OC ZINC000631602871 355511199 /nfs/dbraw/zinc/51/11/99/355511199.db2.gz JGKOHXNGMXKSPS-HIFRSBDPSA-N 0 3 293.407 2.929 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631602614 355511234 /nfs/dbraw/zinc/51/12/34/355511234.db2.gz HHDXGEXLUZVBEN-UKRRQHHQSA-N 0 3 291.391 2.683 20 30 CFEDHN C=C1CC(C)(C(=O)N(C)[C@H](C)C2CCN(C)CC2)C1 ZINC000632203446 355664201 /nfs/dbraw/zinc/66/42/01/355664201.db2.gz XSAKKQKWQLZLGH-CYBMUJFWSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1cc2c(nc1N1CC[C@H](N3CCCCC3)C1)CCC2 ZINC000264565724 283116599 /nfs/dbraw/zinc/11/65/99/283116599.db2.gz GKVQRSVREQTZEH-INIZCTEOSA-N 0 3 296.418 2.507 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCN(C)C1 ZINC000633085646 355800456 /nfs/dbraw/zinc/80/04/56/355800456.db2.gz DNXZMCWYXFYTAD-CQSZACIVSA-N 0 3 281.444 2.620 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CC)Cc1ccc(C)cc1 ZINC000272877133 191954790 /nfs/dbraw/zinc/95/47/90/191954790.db2.gz PYSFBWMVEFRNPZ-MRXNPFEDSA-N 0 3 295.448 2.507 20 30 CFEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@H]3C2)o1 ZINC000291707847 283140256 /nfs/dbraw/zinc/14/02/56/283140256.db2.gz ZPWNUJALGVUKBE-HNNXBMFYSA-N 0 3 293.370 2.788 20 30 CFEDHN N#Cc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000045753634 283140720 /nfs/dbraw/zinc/14/07/20/283140720.db2.gz YPCFJROAWUZOML-UHFFFAOYSA-N 0 3 269.392 2.618 20 30 CFEDHN CN1CC[C@H](Nc2ncc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000413214825 283143460 /nfs/dbraw/zinc/14/34/60/283143460.db2.gz WTMXHUDNDUKFHV-HOTGVXAUSA-N 0 3 296.349 2.950 20 30 CFEDHN N#Cc1ccc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000175004232 283169825 /nfs/dbraw/zinc/16/98/25/283169825.db2.gz SAXRWEOXVZJFHM-UHFFFAOYSA-N 0 3 266.260 2.556 20 30 CFEDHN C#CCCOc1ccc(CN(C)CCc2cnccn2)cc1 ZINC000273804127 192313471 /nfs/dbraw/zinc/31/34/71/192313471.db2.gz XSAYXLDPBGLXJW-UHFFFAOYSA-N 0 3 295.386 2.553 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCC(=O)N[C@H]2C2CC2)c1F ZINC000328915049 202110530 /nfs/dbraw/zinc/11/05/30/202110530.db2.gz QPJJPNJDISVMDK-BBRMVZONSA-N 0 3 287.338 2.684 20 30 CFEDHN C=CCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294334624 199003416 /nfs/dbraw/zinc/00/34/16/199003416.db2.gz PEHDFVXSIAHEBK-ZDUSSCGKSA-N 0 3 260.316 2.589 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CC)C1 ZINC000248896580 540377255 /nfs/dbraw/zinc/37/72/55/540377255.db2.gz KVEUKZWAOGUFGO-HUUCEWRRSA-N 0 3 264.413 2.698 20 30 CFEDHN CC[C@@](C)(COc1ncccc1Cl)NCC#CCOC ZINC000678311568 540402246 /nfs/dbraw/zinc/40/22/46/540402246.db2.gz HHHFZSOEEFHELN-HNNXBMFYSA-N 0 3 296.798 2.522 20 30 CFEDHN C#Cc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1 ZINC000294943702 199264055 /nfs/dbraw/zinc/26/40/55/199264055.db2.gz HAKUCYUWARSGMD-UHFFFAOYSA-N 0 3 284.403 2.549 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000678755213 540476949 /nfs/dbraw/zinc/47/69/49/540476949.db2.gz OOBKVGORTAHGKI-UONOGXRCSA-N 0 3 291.391 2.519 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccccc1SC ZINC000669694417 540511194 /nfs/dbraw/zinc/51/11/94/540511194.db2.gz LOJGZUBKBKKNGD-DGCLKSJQSA-N 0 3 251.395 2.996 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(C)s1 ZINC000297063308 200074946 /nfs/dbraw/zinc/07/49/46/200074946.db2.gz ZEXOZVPJTMHDEU-DGCLKSJQSA-N 0 3 252.383 2.522 20 30 CFEDHN CCCN(CCC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000297862882 200294679 /nfs/dbraw/zinc/29/46/79/200294679.db2.gz MCOQXCPNRSXTLQ-ZDUSSCGKSA-N 0 3 291.420 2.847 20 30 CFEDHN CCOC1(C)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000298226943 200365156 /nfs/dbraw/zinc/36/51/56/200365156.db2.gz GUVWIGFPUAUJQJ-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN Cc1noc(C)c1C[C@H](C)NCc1ccc(C#N)s1 ZINC000176973333 189017909 /nfs/dbraw/zinc/01/79/09/189017909.db2.gz PSRHAZOMIOXYMH-VIFPVBQESA-N 0 3 275.377 2.945 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)s1)c1ccsc1 ZINC000176974497 189017956 /nfs/dbraw/zinc/01/79/56/189017956.db2.gz DRUFAZZUQRADHC-CYBMUJFWSA-N 0 3 278.402 2.679 20 30 CFEDHN CCN(CC)C[C@@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000347401937 540716938 /nfs/dbraw/zinc/71/69/38/540716938.db2.gz DTPMEFPVZKBNJV-GFCCVEGCSA-N 0 3 273.380 2.903 20 30 CFEDHN Cn1cccc1[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000177691098 189063709 /nfs/dbraw/zinc/06/37/09/189063709.db2.gz ZLYVGMPKEOLAIL-ROUUACIJSA-N 0 3 295.386 2.767 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)c1ccccc1 ZINC000177781350 189069070 /nfs/dbraw/zinc/06/90/70/189069070.db2.gz WTLURBMXOAJUDI-UHFFFAOYSA-N 0 3 260.381 2.938 20 30 CFEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000177910416 189078145 /nfs/dbraw/zinc/07/81/45/189078145.db2.gz KTVRCBOSQCGQOK-YOEHRIQHSA-N 0 3 280.375 2.838 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(C(=O)c2ccccc2)CC1 ZINC000178040557 189087483 /nfs/dbraw/zinc/08/74/83/189087483.db2.gz ICIAPKYVYWVRRG-QGZVFWFLSA-N 0 3 287.403 2.908 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(Cl)c2F)CC1 ZINC000178232724 189099679 /nfs/dbraw/zinc/09/96/79/189099679.db2.gz VOFNBULZPCUGIK-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN N#Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000178776897 189145254 /nfs/dbraw/zinc/14/52/54/189145254.db2.gz YLECHILCMXGUMY-BPUTZDHNSA-N 0 3 286.350 2.745 20 30 CFEDHN CC(C)N(Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC000179319747 189185336 /nfs/dbraw/zinc/18/53/36/189185336.db2.gz OHFSWHYIDKRJRE-UHFFFAOYSA-N 0 3 254.337 2.692 20 30 CFEDHN C=CCc1cc(CN(C)[C@@H](C)COC)cc(OC)c1O ZINC000179368458 189189714 /nfs/dbraw/zinc/18/97/14/189189714.db2.gz KQAMAPDAIJEEGZ-LBPRGKRZSA-N 0 3 279.380 2.596 20 30 CFEDHN CCN(Cc1cnc[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463628 189196275 /nfs/dbraw/zinc/19/62/75/189196275.db2.gz MFOPDSCWSCNVEZ-GFCCVEGCSA-N 0 3 254.337 2.864 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCN(CCC)C1 ZINC000389189722 540934573 /nfs/dbraw/zinc/93/45/73/540934573.db2.gz UNYNCCUAVWYAHQ-INIZCTEOSA-N 0 3 274.408 2.825 20 30 CFEDHN C#CCSCCNCc1cn(C)nc1-c1ccccc1 ZINC000180239148 189245780 /nfs/dbraw/zinc/24/57/80/189245780.db2.gz HRBIPDGRBPLYTG-UHFFFAOYSA-N 0 3 285.416 2.543 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000180365401 189251451 /nfs/dbraw/zinc/25/14/51/189251451.db2.gz TZAHXNZXIMBYJI-WMZOPIPTSA-N 0 3 298.430 2.959 20 30 CFEDHN C=CC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000681727160 541002972 /nfs/dbraw/zinc/00/29/72/541002972.db2.gz PVFHOZMTJAJZMS-HZPDHXFCSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCC[C@H](NCCCn1cncn1)c1ccco1 ZINC000671756488 541092970 /nfs/dbraw/zinc/09/29/70/541092970.db2.gz DVLDIYKYJZQQIM-ZDUSSCGKSA-N 0 3 260.341 2.558 20 30 CFEDHN N#Cc1ccc(NC[C@H](c2cccs2)N2CCCC2)nn1 ZINC000301917708 201263045 /nfs/dbraw/zinc/26/30/45/201263045.db2.gz JLIQJKRIOZJCQG-CYBMUJFWSA-N 0 3 299.403 2.659 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC(F)(F)F ZINC000425537689 239092441 /nfs/dbraw/zinc/09/24/41/239092441.db2.gz QQLGRPPCCXYXSU-ZWNOBZJWSA-N 0 3 286.297 2.864 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(CN)c1 ZINC000667735353 541303139 /nfs/dbraw/zinc/30/31/39/541303139.db2.gz QZQRQLMOLGKYLV-CQSZACIVSA-N 0 3 259.353 2.718 20 30 CFEDHN N#Cc1cnc(N2CCC[C@@H]2CN2CCCC2)c(Cl)c1 ZINC000189081214 189522438 /nfs/dbraw/zinc/52/24/38/189522438.db2.gz XXUJLXANKVIAHQ-CYBMUJFWSA-N 0 3 290.798 2.671 20 30 CFEDHN CCOC(=O)CC1(NCc2ccc(C#N)o2)CCCC1 ZINC000435275850 240301997 /nfs/dbraw/zinc/30/19/97/240301997.db2.gz VTCBPBUSSSWOSF-UHFFFAOYSA-N 0 3 276.336 2.507 20 30 CFEDHN C=CCCOCCNCc1scnc1C1CC1 ZINC000487577717 541453353 /nfs/dbraw/zinc/45/33/53/541453353.db2.gz RZJBNRGJFUSLIM-UHFFFAOYSA-N 0 3 252.383 2.703 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000275442349 193038906 /nfs/dbraw/zinc/03/89/06/193038906.db2.gz KJRQDWRFQIDZPI-KRWDZBQOSA-N 0 3 290.407 2.916 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCc1cnccn1 ZINC000442897007 241018641 /nfs/dbraw/zinc/01/86/41/241018641.db2.gz GVKSHDAKWCMOMO-CYBMUJFWSA-N 0 3 266.348 2.584 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)C2CCCC2)CC1 ZINC000674090455 541539411 /nfs/dbraw/zinc/53/94/11/541539411.db2.gz GLGLREYPHWMIND-CYBMUJFWSA-N 0 3 264.413 2.579 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)c(C)c1 ZINC000449567485 242037576 /nfs/dbraw/zinc/03/75/76/242037576.db2.gz WGANSTZKSOJECN-QGZVFWFLSA-N 0 3 271.408 2.783 20 30 CFEDHN CN(Cc1ccc(C#N)s1)[C@@H](CO)CC(C)(C)C ZINC000449582088 242046379 /nfs/dbraw/zinc/04/63/79/242046379.db2.gz DNHOCQSSYBLDGW-LLVKDONJSA-N 0 3 266.410 2.849 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000450103628 242274923 /nfs/dbraw/zinc/27/49/23/242274923.db2.gz KBOWDJXAECTZOU-UHFFFAOYSA-N 0 3 296.374 2.817 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2CCCC2(C)C)n1 ZINC000450951764 242686604 /nfs/dbraw/zinc/68/66/04/242686604.db2.gz QPPGYLKDNBZLSB-UHFFFAOYSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCOc1ccc(CN(CCO)C2CCC2)cc1OC ZINC000276085594 193209982 /nfs/dbraw/zinc/20/99/82/193209982.db2.gz VEQOOOPAEMQFPE-UHFFFAOYSA-N 0 3 291.391 2.607 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)C1CCOCC1 ZINC000676715674 541781718 /nfs/dbraw/zinc/78/17/18/541781718.db2.gz DXGXSHMVEYRSMY-UHFFFAOYSA-N 0 3 263.768 2.802 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000276332301 193289211 /nfs/dbraw/zinc/28/92/11/193289211.db2.gz HADUJOCKTFTMFD-SKDRFNHKSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000276345999 193295131 /nfs/dbraw/zinc/29/51/31/193295131.db2.gz CSNASTMKWWUYLZ-KGLIPLIRSA-N 0 3 260.381 2.760 20 30 CFEDHN C=CCCN(C)Cc1cc(C(=O)OC)oc1CC ZINC000276364782 193301793 /nfs/dbraw/zinc/30/17/93/193301793.db2.gz GCJZYIUUPFRKFP-UHFFFAOYSA-N 0 3 251.326 2.637 20 30 CFEDHN C[C@@H]1CC[C@H](CNC2(c3cccc(C#N)c3)CC2)O1 ZINC000276453574 193337388 /nfs/dbraw/zinc/33/73/88/193337388.db2.gz UWJSQNDVKJPCKG-IUODEOHRSA-N 0 3 256.349 2.704 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000677048133 541813775 /nfs/dbraw/zinc/81/37/75/541813775.db2.gz NRVKFJLQOTWJOA-ZDUSSCGKSA-N 0 3 288.391 2.584 20 30 CFEDHN COCC#CCN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000677132875 541825794 /nfs/dbraw/zinc/82/57/94/541825794.db2.gz XADQIEUZPDBGPT-UHFFFAOYSA-N 0 3 282.387 2.997 20 30 CFEDHN N#Cc1csc(CNC2CCC(C(F)F)CC2)n1 ZINC000459715015 245281199 /nfs/dbraw/zinc/28/11/99/245281199.db2.gz PXSMWCKCPRTFJU-UHFFFAOYSA-N 0 3 271.336 2.928 20 30 CFEDHN COc1cc(CN2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1C#N ZINC000459710102 245282164 /nfs/dbraw/zinc/28/21/64/245282164.db2.gz JLIAZSWPOLZMFO-CVEARBPZSA-N 0 3 298.386 2.568 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@H](OC)C12CCC2 ZINC000459768737 245313976 /nfs/dbraw/zinc/31/39/76/245313976.db2.gz QQSPZHOLKRCSGL-HOTGVXAUSA-N 0 3 286.375 2.614 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000459796716 245332296 /nfs/dbraw/zinc/33/22/96/245332296.db2.gz WGIFIHAPOBXKGY-OLZOCXBDSA-N 0 3 262.378 2.667 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000459796718 245332609 /nfs/dbraw/zinc/33/26/09/245332609.db2.gz WGIFIHAPOBXKGY-QWHCGFSZSA-N 0 3 262.378 2.667 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480204 541865521 /nfs/dbraw/zinc/86/55/21/541865521.db2.gz VEKRTFUMJXODOJ-HIFRSBDPSA-N 0 3 286.375 2.944 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)CC#CCOC)C12CCCCC2 ZINC000677480906 541865445 /nfs/dbraw/zinc/86/54/45/541865445.db2.gz XHBVJRUADTXOMQ-CVEARBPZSA-N 0 3 279.424 2.696 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000451684576 383683007 /nfs/dbraw/zinc/68/30/07/383683007.db2.gz VTBQNHGJFYSGAT-CABCVRRESA-N 0 3 260.312 2.521 20 30 CFEDHN C#CCN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000035046559 372533486 /nfs/dbraw/zinc/53/34/86/372533486.db2.gz CGJWQNAVLLPCEO-SECBINFHSA-N 0 3 268.154 2.742 20 30 CFEDHN COc1cccc(N2CCN(CCCCC#N)CC2)c1 ZINC000042312871 372906592 /nfs/dbraw/zinc/90/65/92/372906592.db2.gz FGCPQKFCWQSEGJ-UHFFFAOYSA-N 0 3 273.380 2.511 20 30 CFEDHN CCN1CCC[C@H](Nc2nc3c(cc2C#N)CCCC3)C1 ZINC000043409623 372989840 /nfs/dbraw/zinc/98/98/40/372989840.db2.gz KQFZMSHKOYDYDY-HNNXBMFYSA-N 0 3 284.407 2.728 20 30 CFEDHN C=CCN(CCC(=O)NC(C)C)Cc1cccs1 ZINC000046503161 373055288 /nfs/dbraw/zinc/05/52/88/373055288.db2.gz FVSYXYRFHDRQOW-UHFFFAOYSA-N 0 3 266.410 2.651 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc(F)c1)c1ccccn1 ZINC000046705840 373058573 /nfs/dbraw/zinc/05/85/73/373058573.db2.gz ADESWEJVBPLHNI-LBPRGKRZSA-N 0 3 258.227 2.850 20 30 CFEDHN CN(CC(=O)Nc1sccc1C#N)C(C1CC1)C1CC1 ZINC000050989051 373387162 /nfs/dbraw/zinc/38/71/62/373387162.db2.gz KPCLAYAYAMQKDJ-UHFFFAOYSA-N 0 3 289.404 2.679 20 30 CFEDHN N#CCCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264056601 383692549 /nfs/dbraw/zinc/69/25/49/383692549.db2.gz ZJROBVRDKILQOP-UHFFFAOYSA-N 0 3 299.418 2.709 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCCC2)cc1 ZINC000057757708 373610077 /nfs/dbraw/zinc/61/00/77/373610077.db2.gz XLKPEXFETMTZMZ-MRXNPFEDSA-N 0 3 281.359 2.643 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CC)CO)cc1Cl ZINC000066969776 373964485 /nfs/dbraw/zinc/96/44/85/373964485.db2.gz UKFMDQGQWJFBQS-LBPRGKRZSA-N 0 3 269.772 2.765 20 30 CFEDHN C#CCN(Cc1ccc(C(N)=O)cc1)C1CCCCC1 ZINC000065960489 373906628 /nfs/dbraw/zinc/90/66/28/373906628.db2.gz GCYZYAYADOVEQJ-UHFFFAOYSA-N 0 3 270.376 2.553 20 30 CFEDHN N#CCNC(=O)CN1CCC[C@H]1c1cccc2ccccc21 ZINC000066496580 373935056 /nfs/dbraw/zinc/93/50/56/373935056.db2.gz XCCAFAFOSRUCCK-KRWDZBQOSA-N 0 3 293.370 2.616 20 30 CFEDHN CCC(CC)N(CCOC)Cc1ccnc(C#N)c1 ZINC000068766396 374038737 /nfs/dbraw/zinc/03/87/37/374038737.db2.gz AVOKHAUSKILSPE-UHFFFAOYSA-N 0 3 261.369 2.590 20 30 CFEDHN OC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000289524993 197388208 /nfs/dbraw/zinc/38/82/08/197388208.db2.gz MPTHAAQKLLXLDC-MRXNPFEDSA-N 0 3 277.795 2.832 20 30 CFEDHN CC(C)N1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000069224731 374051656 /nfs/dbraw/zinc/05/16/56/374051656.db2.gz HYWXNDFZPOGDGY-UHFFFAOYSA-N 0 3 286.379 2.506 20 30 CFEDHN C=CCSCCNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431809714 383697924 /nfs/dbraw/zinc/69/79/24/383697924.db2.gz MYHIFSXIWLWIAH-HNNXBMFYSA-N 0 3 292.448 2.715 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)CC#CCOC)C1(CC)CC ZINC000677818516 541910044 /nfs/dbraw/zinc/91/00/44/541910044.db2.gz ARQSASOYPNSOPR-GJZGRUSLSA-N 0 3 267.413 2.552 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000072775045 374285485 /nfs/dbraw/zinc/28/54/85/374285485.db2.gz UVEHYSWFJFKROM-ARFHVFGLSA-N 0 3 293.455 2.895 20 30 CFEDHN N#CCSCCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000074982196 374453156 /nfs/dbraw/zinc/45/31/56/374453156.db2.gz UKGPAXOZXHJHFG-HNNXBMFYSA-N 0 3 294.420 2.907 20 30 CFEDHN N#CCSCCCN1CCOC2(CCCCC2)C1 ZINC000074991601 374454300 /nfs/dbraw/zinc/45/43/00/374454300.db2.gz IVIVLUOWFXMIIR-UHFFFAOYSA-N 0 3 268.426 2.668 20 30 CFEDHN CCC[C@@]1(C)CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000076145667 374537650 /nfs/dbraw/zinc/53/76/50/374537650.db2.gz UNSPSKWIPAGZFS-HOCLYGCPSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000076737280 374555950 /nfs/dbraw/zinc/55/59/50/374555950.db2.gz OWQXDXQVOVIUGQ-CYBMUJFWSA-N 0 3 278.400 2.689 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000076735530 374556124 /nfs/dbraw/zinc/55/61/24/374556124.db2.gz DVRACCHEDITVHV-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CCC[C@H]1O ZINC000089161261 374879675 /nfs/dbraw/zinc/87/96/75/374879675.db2.gz OLAHDVLOENDQRG-DZGCQCFKSA-N 0 3 261.365 2.502 20 30 CFEDHN CN(Cc1ccc(F)cc1C#N)C1CCC(CO)CC1 ZINC000089924486 374969340 /nfs/dbraw/zinc/96/93/40/374969340.db2.gz VHRZOOQFWIPWEF-UHFFFAOYSA-N 0 3 276.355 2.680 20 30 CFEDHN C#CCCCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090398931 375010316 /nfs/dbraw/zinc/01/03/16/375010316.db2.gz PDHCRXBTVNNWNY-LBPRGKRZSA-N 0 3 297.395 2.683 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(n2cncn2)CC1 ZINC000092647846 375133650 /nfs/dbraw/zinc/13/36/50/375133650.db2.gz PPVLYZOUUBYIJN-UHFFFAOYSA-N 0 3 298.390 2.680 20 30 CFEDHN CCC(CC)N(CCOC)Cc1ccc(C#N)o1 ZINC000092565871 375125164 /nfs/dbraw/zinc/12/51/64/375125164.db2.gz YSKJIZYWLNCEAO-UHFFFAOYSA-N 0 3 250.342 2.788 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000098030171 375593447 /nfs/dbraw/zinc/59/34/47/375593447.db2.gz RDEHYCWJNJAYHT-LSDHHAIUSA-N 0 3 281.444 2.714 20 30 CFEDHN CCCCN(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000507244834 247170123 /nfs/dbraw/zinc/17/01/23/247170123.db2.gz UQKFOUYWFHMHLS-UHFFFAOYSA-N 0 3 268.364 2.970 20 30 CFEDHN Cc1cc(CCN[C@H](C)c2cccc(C#N)c2)on1 ZINC000507276727 247172917 /nfs/dbraw/zinc/17/29/17/247172917.db2.gz GOBGOUKNJQWMCJ-GFCCVEGCSA-N 0 3 255.321 2.748 20 30 CFEDHN N#CC(C(=O)c1cc2c(s1)CCOC2)c1ccccn1 ZINC000103329869 375731866 /nfs/dbraw/zinc/73/18/66/375731866.db2.gz QVVFVLMCFHEBNF-NSHDSACASA-N 0 3 284.340 2.706 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@H](O)CC1)c1ccc(C#N)cc1F ZINC000512648450 247214329 /nfs/dbraw/zinc/21/43/29/247214329.db2.gz NDVIIGDFSSNNFQ-RAIGVLPGSA-N 0 3 262.328 2.651 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@H](NCc2ccccn2)C1 ZINC000109077637 375819960 /nfs/dbraw/zinc/81/99/60/375819960.db2.gz WZQRLJWMCOAWLT-KRWDZBQOSA-N 0 3 292.386 2.712 20 30 CFEDHN N#CC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1 ZINC000110250460 375826805 /nfs/dbraw/zinc/82/68/05/375826805.db2.gz HNRILKLISUQBNV-OAHLLOKOSA-N 0 3 289.423 2.547 20 30 CFEDHN COCC#CCN[C@H](C)c1cccc(OC(C)C)c1 ZINC000678745279 542063752 /nfs/dbraw/zinc/06/37/52/542063752.db2.gz PMYBQZLFCRYIHW-CQSZACIVSA-N 0 3 261.365 2.774 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000678743024 542063906 /nfs/dbraw/zinc/06/39/06/542063906.db2.gz RMWOEYWETGECKA-GXFFZTMASA-N 0 3 271.307 2.876 20 30 CFEDHN C=CC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000111382504 375842184 /nfs/dbraw/zinc/84/21/84/375842184.db2.gz HPEJMZCKSWBQFK-CQSZACIVSA-N 0 3 295.810 2.978 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC(C)(C)C2)CC1 ZINC000112749362 375961828 /nfs/dbraw/zinc/96/18/28/375961828.db2.gz UQBINIQQNUCIQH-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN CC(C)(C)[C@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000264211303 383710787 /nfs/dbraw/zinc/71/07/87/383710787.db2.gz SMOHOUUYSXOHJC-MRXNPFEDSA-N 0 3 299.418 2.685 20 30 CFEDHN CC(C)[C@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000117349343 376239818 /nfs/dbraw/zinc/23/98/18/376239818.db2.gz USXYNFUXWPUXJN-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCCCN(C)Cc1ccc(C(=O)OC)s1 ZINC000119290600 376387146 /nfs/dbraw/zinc/38/71/46/376387146.db2.gz ZDKQNIMONQYICM-UHFFFAOYSA-N 0 3 253.367 2.933 20 30 CFEDHN CCC(CC)(CC)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000119324824 376393082 /nfs/dbraw/zinc/39/30/82/376393082.db2.gz NUFISBUGJGPHJO-OAHLLOKOSA-N 0 3 287.407 2.891 20 30 CFEDHN C=CCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120520429 376631558 /nfs/dbraw/zinc/63/15/58/376631558.db2.gz BXZJFTSTMZRYHZ-HNNXBMFYSA-N 0 3 259.397 2.726 20 30 CFEDHN CCC(CC)(CNCc1ccc(F)c(C#N)c1)C(=O)OC ZINC000120653728 376662054 /nfs/dbraw/zinc/66/20/54/376662054.db2.gz KMYBVBUGQSQAJN-UHFFFAOYSA-N 0 3 292.354 2.766 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000678892347 542089641 /nfs/dbraw/zinc/08/96/41/542089641.db2.gz FWQLAPWISNYKAM-CVEARBPZSA-N 0 3 261.365 2.673 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645515368 383715061 /nfs/dbraw/zinc/71/50/61/383715061.db2.gz AAJKFEVEBYLEOD-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCC[C@@H](O)CN(C)CCOc1ccccc1C ZINC000121399824 376822474 /nfs/dbraw/zinc/82/24/74/376822474.db2.gz RVWPRCPDWPQKER-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1nccc(C)n1)C(C)C ZINC000122601544 376934185 /nfs/dbraw/zinc/93/41/85/376934185.db2.gz SSNNTXQNFOILTB-HNNXBMFYSA-N 0 3 274.412 2.896 20 30 CFEDHN C=C(C)CNCc1cc(Br)c2c(c1)OCCO2 ZINC000122577478 376934336 /nfs/dbraw/zinc/93/43/36/376934336.db2.gz LKEZITZBOAZDMT-UHFFFAOYSA-N 0 3 298.180 2.886 20 30 CFEDHN Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000123620101 376962152 /nfs/dbraw/zinc/96/21/52/376962152.db2.gz LDACZBMNIMZSPS-KRWDZBQOSA-N 0 3 294.402 2.746 20 30 CFEDHN C=C[C@H](CC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000124264453 377032305 /nfs/dbraw/zinc/03/23/05/377032305.db2.gz TVXKRHQFAACIFW-CQSZACIVSA-N 0 3 272.392 2.557 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000123866179 376990053 /nfs/dbraw/zinc/99/00/53/376990053.db2.gz HUEGGXPJIXVPCX-DOTOQJQBSA-N 0 3 257.377 2.664 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125260815 377132799 /nfs/dbraw/zinc/13/27/99/377132799.db2.gz QUDQFHMGDCITSC-CABCVRRESA-N 0 3 291.439 2.840 20 30 CFEDHN CC[C@H](C)[C@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000126884152 377252317 /nfs/dbraw/zinc/25/23/17/377252317.db2.gz YVRYPWRIIIPCMA-MHABSNSOSA-N 0 3 272.392 2.607 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCC(C)(C)CC1 ZINC000127700553 377296970 /nfs/dbraw/zinc/29/69/70/377296970.db2.gz STIMGNJWCTYKPT-CQSZACIVSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@](C)(O)C2)cc1 ZINC000129405200 377422103 /nfs/dbraw/zinc/42/21/03/377422103.db2.gz OBHZOCUJJBDSHR-INIZCTEOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@](C)(O)C2)cc1OC ZINC000129504619 377437219 /nfs/dbraw/zinc/43/72/19/377437219.db2.gz JQKSOUBIRJBYDW-KRWDZBQOSA-N 0 3 291.391 2.607 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccccc1)NCc1ccc(C#N)o1 ZINC000129943400 377491900 /nfs/dbraw/zinc/49/19/00/377491900.db2.gz QTOMBWQBOUBYNV-MLGOLLRUSA-N 0 3 270.332 2.753 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000432091438 383721112 /nfs/dbraw/zinc/72/11/12/383721112.db2.gz FQFCMTDYUJCZFF-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cccnc1Cl ZINC000129995380 377498707 /nfs/dbraw/zinc/49/87/07/377498707.db2.gz YHYIRUQLHGMUTM-JTQLQIEISA-N 0 3 254.786 2.752 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)CCc1ccncc1 ZINC000130410983 377553983 /nfs/dbraw/zinc/55/39/83/377553983.db2.gz FWKZBIIORHWPHU-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000130496820 377568740 /nfs/dbraw/zinc/56/87/40/377568740.db2.gz HKYTZDFVYQITEJ-KKUMJFAQSA-N 0 3 299.418 2.778 20 30 CFEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCCSCC#N ZINC000130539853 377572585 /nfs/dbraw/zinc/57/25/85/377572585.db2.gz SANSJSAEHIKAKY-ZDUSSCGKSA-N 0 3 278.425 2.810 20 30 CFEDHN C=CCOCCNCc1ccc(SC)c(OC)c1 ZINC000679485454 542196703 /nfs/dbraw/zinc/19/67/03/542196703.db2.gz GQUSIEBCNVQPGV-UHFFFAOYSA-N 0 3 267.394 2.709 20 30 CFEDHN C=CCOCCNCc1c(C)nn(C(C)(C)C)c1C ZINC000679485787 542196888 /nfs/dbraw/zinc/19/68/88/542196888.db2.gz MNXSEKPIJQIIDE-UHFFFAOYSA-N 0 3 265.401 2.547 20 30 CFEDHN C=CCOCCNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000679487197 542197446 /nfs/dbraw/zinc/19/74/46/542197446.db2.gz ZTOYRCWVCGYGLC-QGZVFWFLSA-N 0 3 291.391 2.537 20 30 CFEDHN CN1CCC(Nc2ccc(Br)cc2C#N)CC1 ZINC000132180545 377810318 /nfs/dbraw/zinc/81/03/18/377810318.db2.gz BIRSXRWVAMMWNQ-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN CCN(CCC#N)C(=O)c1oc2ccccc2c1CN(C)C ZINC000133261695 377917864 /nfs/dbraw/zinc/91/78/64/377917864.db2.gz HEPHPOADXMPJGT-UHFFFAOYSA-N 0 3 299.374 2.870 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCc1ccccc1CN(C)C ZINC000134910781 378062106 /nfs/dbraw/zinc/06/21/06/378062106.db2.gz FMBLYKITBMQSAG-QGZVFWFLSA-N 0 3 274.408 2.967 20 30 CFEDHN COc1ccc(CN[C@@H]2CCCSC2)cc1C#N ZINC000135698180 378157808 /nfs/dbraw/zinc/15/78/08/378157808.db2.gz BJPDXTGQKROCQB-CYBMUJFWSA-N 0 3 262.378 2.552 20 30 CFEDHN N#CCCCOc1cccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000152828541 378451646 /nfs/dbraw/zinc/45/16/46/378451646.db2.gz HYDIDDKCZDKXFB-ZACQAIPSSA-N 0 3 286.375 2.779 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]3OCCC[C@@H]3C2)ccc1F ZINC000152849665 378452936 /nfs/dbraw/zinc/45/29/36/378452936.db2.gz FYINDCLVKJJNID-CZUORRHYSA-N 0 3 274.339 2.698 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC2(CCC2)C1 ZINC000328788945 378426068 /nfs/dbraw/zinc/42/60/68/378426068.db2.gz POTSBUPAHNVRCT-INIZCTEOSA-N 0 3 298.386 2.540 20 30 CFEDHN C[C@]1(C(=O)NC[C@H]2CCCCN2C2CC2)CCC(=O)NC1 ZINC000328807680 378427339 /nfs/dbraw/zinc/42/73/39/378427339.db2.gz MFJUUBUDUKSEMH-CJNGLKHVSA-N 0 3 293.411 2.716 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328819418 378429262 /nfs/dbraw/zinc/42/92/62/378429262.db2.gz QJHHWLFOMQTPKK-CHWSQXEVSA-N 0 3 281.400 2.716 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328826649 378429497 /nfs/dbraw/zinc/42/94/97/378429497.db2.gz SWGCLJOVBMLZAG-FRRDWIJNSA-N 0 3 281.400 2.572 20 30 CFEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)C(=O)NC1CCCC1 ZINC000328918721 378439613 /nfs/dbraw/zinc/43/96/13/378439613.db2.gz SENQRVITKJSIJQ-ZBINZKHDSA-N 0 3 293.411 2.761 20 30 CFEDHN C=CCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000153486644 378495658 /nfs/dbraw/zinc/49/56/58/378495658.db2.gz JJWOLIRVWLBUON-KRWDZBQOSA-N 0 3 287.407 2.526 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC(=O)N1 ZINC000329824277 378501179 /nfs/dbraw/zinc/50/11/79/378501179.db2.gz BKDPZJYTKGHHII-AGIUHOORSA-N 0 3 295.427 2.818 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000329821123 378501258 /nfs/dbraw/zinc/50/12/58/378501258.db2.gz GRJPLKATEUOPEC-QWHCGFSZSA-N 0 3 281.400 2.716 20 30 CFEDHN N#CC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCC1 ZINC000329947142 378516648 /nfs/dbraw/zinc/51/66/48/378516648.db2.gz JWSDBWJVLSKJCI-CYBMUJFWSA-N 0 3 261.369 2.654 20 30 CFEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H]1CC[C@H](C#N)C1 ZINC000330460056 378562966 /nfs/dbraw/zinc/56/29/66/378562966.db2.gz QOPXBWCIVDKJKN-AAEUAGOBSA-N 0 3 260.385 2.831 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000156220509 378637045 /nfs/dbraw/zinc/63/70/45/378637045.db2.gz HFYMCFHWPSFFHX-NSHDSACASA-N 0 3 280.334 2.732 20 30 CFEDHN CCCCCCCN1CCCN(C(=O)CC)CC1 ZINC000157615685 378655482 /nfs/dbraw/zinc/65/54/82/378655482.db2.gz BHIBDUUDGQFDGV-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN CC(=O)N[C@@H](C)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000331264737 378660198 /nfs/dbraw/zinc/66/01/98/378660198.db2.gz GPSXITOGKWNTMS-UONOGXRCSA-N 0 3 299.418 2.856 20 30 CFEDHN C=CCNC(=O)CN1CCCC[C@@H]1CCC(C)C ZINC000158154287 378664729 /nfs/dbraw/zinc/66/47/29/378664729.db2.gz FNYUJGQBTMQJMT-CQSZACIVSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1noc([C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000332107928 378727286 /nfs/dbraw/zinc/72/72/86/378727286.db2.gz ZZJIPRHJDZEEOS-XHDPSFHLSA-N 0 3 282.347 2.800 20 30 CFEDHN COc1cc(CN[C@H]2C[C@@](C)(OC)C2(C)C)ccc1C#N ZINC000332499405 378771275 /nfs/dbraw/zinc/77/12/75/378771275.db2.gz ZXBHXIGMNVMLQR-DOTOQJQBSA-N 0 3 288.391 2.860 20 30 CFEDHN CC#CCN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000160591086 378784096 /nfs/dbraw/zinc/78/40/96/378784096.db2.gz SZUSQVNUWZXFTF-UHFFFAOYSA-N 0 3 280.412 2.589 20 30 CFEDHN C[C@@H](NCC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC000162817810 378935766 /nfs/dbraw/zinc/93/57/66/378935766.db2.gz DFKSHKZVNILKPT-TZMCWYRMSA-N 0 3 263.768 2.706 20 30 CFEDHN C[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000278633024 194076609 /nfs/dbraw/zinc/07/66/09/194076609.db2.gz YHCQXHOCCODVGN-CYBMUJFWSA-N 0 3 297.402 2.610 20 30 CFEDHN C=CCOc1cccc(CN[C@H](COC)[C@@H]2CCCO2)c1 ZINC000278675498 194097601 /nfs/dbraw/zinc/09/76/01/194097601.db2.gz ONTOZOQUPPBVMC-SJORKVTESA-N 0 3 291.391 2.535 20 30 CFEDHN C[C@@H]1CCCN(CCNc2nc(Cl)c(C#N)s2)C1 ZINC000278700136 194110481 /nfs/dbraw/zinc/11/04/81/194110481.db2.gz MWRYCQFCDZNJKG-SECBINFHSA-N 0 3 284.816 2.812 20 30 CFEDHN CC(C#N)C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC000335338477 379119422 /nfs/dbraw/zinc/11/94/22/379119422.db2.gz ZCKAPMCKAVQUBC-MLGOLLRUSA-N 0 3 256.349 2.556 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)s1 ZINC000278786858 194156481 /nfs/dbraw/zinc/15/64/81/194156481.db2.gz WCJFXWILZZAMLE-CQSZACIVSA-N 0 3 264.394 2.747 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000335390229 379207637 /nfs/dbraw/zinc/20/76/37/379207637.db2.gz VDNXHDHFPSJOQU-HTQZYQBOSA-N 0 3 254.692 2.816 20 30 CFEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(C)C#N ZINC000334414119 379257556 /nfs/dbraw/zinc/25/75/56/379257556.db2.gz MVMYPOKFKUFPGY-SKDRFNHKSA-N 0 3 260.337 2.877 20 30 CFEDHN CC[C@H](NCc1cnn(C)c1C)c1ccc(C#N)cc1 ZINC000278907055 194205261 /nfs/dbraw/zinc/20/52/61/194205261.db2.gz ZWDFEMWIQOMONQ-INIZCTEOSA-N 0 3 268.364 2.841 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000171738761 379389481 /nfs/dbraw/zinc/38/94/81/379389481.db2.gz YNDMUUJYHYMBRA-UHFFFAOYSA-N 0 3 295.333 2.737 20 30 CFEDHN C=CCN1CCC(NC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000171740688 379392429 /nfs/dbraw/zinc/39/24/29/379392429.db2.gz BIRPKTMLJXCCKQ-CQSZACIVSA-N 0 3 299.418 2.798 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000171934791 379442866 /nfs/dbraw/zinc/44/28/66/379442866.db2.gz UZJIWTPBVOJXNJ-QGZVFWFLSA-N 0 3 272.392 2.810 20 30 CFEDHN N#Cc1cccc(CN2CCC(n3ccnc3)CC2)c1 ZINC000171934037 379443337 /nfs/dbraw/zinc/44/33/37/379443337.db2.gz OCQMQWCYEBARJJ-UHFFFAOYSA-N 0 3 266.348 2.592 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000334567498 379542375 /nfs/dbraw/zinc/54/23/75/379542375.db2.gz WUWGRXMZNPCWAS-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000172397604 379558048 /nfs/dbraw/zinc/55/80/48/379558048.db2.gz CCHCYHGYCUNGCZ-BBRMVZONSA-N 0 3 286.375 2.704 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000172616420 379608496 /nfs/dbraw/zinc/60/84/96/379608496.db2.gz JVYXITQBHGPDTD-KPBXEYHCSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000172618690 379609307 /nfs/dbraw/zinc/60/93/07/379609307.db2.gz UDCHLLMSEKTXIN-JXMROGBWSA-N 0 3 256.393 2.894 20 30 CFEDHN CC(C(=O)N1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000335648547 379660480 /nfs/dbraw/zinc/66/04/80/379660480.db2.gz ZJJKTKFEOHHOQU-QMMMGPOBSA-N 0 3 268.238 2.646 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)ccc1F ZINC000335686538 379721079 /nfs/dbraw/zinc/72/10/79/379721079.db2.gz XTQVDPYFLINHGX-GJZGRUSLSA-N 0 3 288.366 2.946 20 30 CFEDHN C[C@@H]1Cc2ccccc2N1CCNCc1ccc(C#N)o1 ZINC000174315528 379863921 /nfs/dbraw/zinc/86/39/21/379863921.db2.gz VAITUXGZRFQRNW-CYBMUJFWSA-N 0 3 281.359 2.692 20 30 CFEDHN COC(C)(C)CNCc1cccc(OCCCC#N)c1 ZINC000174595063 379915730 /nfs/dbraw/zinc/91/57/30/379915730.db2.gz JQXVYJDSVCDEIC-UHFFFAOYSA-N 0 3 276.380 2.884 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)Oc1ccccc1 ZINC000174393771 379877188 /nfs/dbraw/zinc/87/71/88/379877188.db2.gz RZTUSLXRWSCVBA-GFCCVEGCSA-N 0 3 256.305 2.708 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3)C2)o1 ZINC000174398932 379879130 /nfs/dbraw/zinc/87/91/30/379879130.db2.gz YDFPCZFZSOPQSZ-CQSZACIVSA-N 0 3 281.359 2.910 20 30 CFEDHN C[C@@H](NCCNC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000174430676 379883717 /nfs/dbraw/zinc/88/37/17/379883717.db2.gz KQXZAZJPEKGLFC-GFCCVEGCSA-N 0 3 289.379 2.734 20 30 CFEDHN C[C@]1(CNCc2cc(C#N)cs2)CCCC[C@H]1O ZINC000174938617 379964154 /nfs/dbraw/zinc/96/41/54/379964154.db2.gz YGXYBXSUOFCTJG-ZIAGYGMSSA-N 0 3 264.394 2.651 20 30 CFEDHN C#Cc1cccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000174784558 379939484 /nfs/dbraw/zinc/93/94/84/379939484.db2.gz PJEDRWMCDMIRBJ-BBRMVZONSA-N 0 3 285.391 2.614 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000335827450 379954511 /nfs/dbraw/zinc/95/45/11/379954511.db2.gz KWPAAXLQYJEANS-BDAKNGLRSA-N 0 3 252.264 2.644 20 30 CFEDHN C[C@H]1CSC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000335202102 380000379 /nfs/dbraw/zinc/00/03/79/380000379.db2.gz XJMQEPDCVHQGGN-TVQRCGJNSA-N 0 3 250.342 2.538 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000335864281 380016236 /nfs/dbraw/zinc/01/62/36/380016236.db2.gz RNSIVLQBITZRPH-LSDHHAIUSA-N 0 3 274.339 2.556 20 30 CFEDHN CCN(CC)Cc1cccc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000175256547 380030756 /nfs/dbraw/zinc/03/07/56/380030756.db2.gz IJHHBUXPKWWODS-UHFFFAOYSA-N 0 3 296.374 2.980 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000335893311 380064499 /nfs/dbraw/zinc/06/44/99/380064499.db2.gz VSWJZKDVRWHCSC-SKDRFNHKSA-N 0 3 278.739 2.830 20 30 CFEDHN CC(C#N)C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000335243824 380070270 /nfs/dbraw/zinc/07/02/70/380070270.db2.gz KZPRYJUGBNDLPU-LBPRGKRZSA-N 0 3 260.312 2.633 20 30 CFEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000175865326 380146295 /nfs/dbraw/zinc/14/62/95/380146295.db2.gz MKPGXIJDEGWWOA-PJFSTRORSA-N 0 3 296.461 2.789 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000335948926 380146933 /nfs/dbraw/zinc/14/69/33/380146933.db2.gz VKJAPXQJFXRNCJ-JTQLQIEISA-N 0 3 262.740 2.995 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccccc2Cl)[C@H](C)CN1C ZINC000335941480 380133691 /nfs/dbraw/zinc/13/36/91/380133691.db2.gz XDTZGTYRCNSUHR-ZIAGYGMSSA-N 0 3 276.811 2.716 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2Cc3ccc(O)cc3C3(CC3)C2)C1 ZINC000336328978 380322622 /nfs/dbraw/zinc/32/26/22/380322622.db2.gz BHYRMUHMOLZEGT-TZMCWYRMSA-N 0 3 268.360 2.932 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000336338476 380324053 /nfs/dbraw/zinc/32/40/53/380324053.db2.gz SNVJBPFYMMEFBO-OCCSQVGLSA-N 0 3 254.333 2.900 20 30 CFEDHN COc1ccc(OCCNCc2ccc(C#N)s2)cc1 ZINC000176943304 380285801 /nfs/dbraw/zinc/28/58/01/380285801.db2.gz DMVODICQNOJBOF-UHFFFAOYSA-N 0 3 288.372 2.797 20 30 CFEDHN CN(C)Cc1cccc(CNC(=O)c2cscc2C#N)c1 ZINC000432395535 383744892 /nfs/dbraw/zinc/74/48/92/383744892.db2.gz AHPIWDFMKHMGPE-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN Cc1cc(NC(=O)C(C#N)c2nc(C(C)C)cs2)no1 ZINC000179476085 380546733 /nfs/dbraw/zinc/54/67/33/380546733.db2.gz VHSIRYFXZVDPMC-VIFPVBQESA-N 0 3 290.348 2.809 20 30 CFEDHN CN(c1ccc(C#N)cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336654492 380583853 /nfs/dbraw/zinc/58/38/53/380583853.db2.gz BCLPPACRTQPZST-KRWDZBQOSA-N 0 3 292.386 2.664 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(CCCC)cc1 ZINC000180034275 380611566 /nfs/dbraw/zinc/61/15/66/380611566.db2.gz BTZAUVOQLPPYPA-AWEZNQCLSA-N 0 3 274.408 2.982 20 30 CFEDHN CC[C@H]1Oc2cc([C@H](C)NCCCC#N)ccc2NC1=O ZINC000180031063 380611874 /nfs/dbraw/zinc/61/18/74/380611874.db2.gz NVQRJVMUPGVWCY-SMDDNHRTSA-N 0 3 287.363 2.750 20 30 CFEDHN CC(C)(C#N)CCN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000336801318 380652446 /nfs/dbraw/zinc/65/24/46/380652446.db2.gz PQPOMVUFZUJSHC-KBPBESRZSA-N 0 3 282.453 2.913 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000181087181 380736568 /nfs/dbraw/zinc/73/65/68/380736568.db2.gz ZWYFAVBMHMPZEM-GJZGRUSLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000181108917 380741222 /nfs/dbraw/zinc/74/12/22/380741222.db2.gz QNZBSDFGYYAUFS-SOUVJXGZSA-N 0 3 281.444 2.855 20 30 CFEDHN CCn1cc([C@@H](C)NCCOc2ccc(C#N)cc2)cn1 ZINC000181157569 380749304 /nfs/dbraw/zinc/74/93/04/380749304.db2.gz BLIYSPYQKLVONH-CYBMUJFWSA-N 0 3 284.363 2.504 20 30 CFEDHN COC[C@@H](C#N)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000181332550 380777218 /nfs/dbraw/zinc/77/72/18/380777218.db2.gz RMMSVSAXHLPSIH-DZGCQCFKSA-N 0 3 287.407 2.997 20 30 CFEDHN C=CCC[C@H](NCC1([S@@](C)=O)CC1)c1ccco1 ZINC000287490898 380844552 /nfs/dbraw/zinc/84/45/52/380844552.db2.gz NHUYFSXVQVOPIA-KPZWWZAWSA-N 0 3 267.394 2.788 20 30 CFEDHN CC#CCCN(C)C[C@@H](O)c1ccccc1Br ZINC000295449759 380861507 /nfs/dbraw/zinc/86/15/07/380861507.db2.gz XFTJVNBTSCAZLB-CQSZACIVSA-N 0 3 296.208 2.828 20 30 CFEDHN C[C@@H](N[C@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358563288 380928657 /nfs/dbraw/zinc/92/86/57/380928657.db2.gz VRKRJFBCEZMYHO-WZRBSPASSA-N 0 3 262.328 2.915 20 30 CFEDHN C=C(CC)CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000358494070 380881716 /nfs/dbraw/zinc/88/17/16/380881716.db2.gz BVNZFOMXOVVQBY-UHFFFAOYSA-N 0 3 272.392 2.801 20 30 CFEDHN C=C(CC)CN1CCCN(c2nccs2)CC1 ZINC000358507008 380893640 /nfs/dbraw/zinc/89/36/40/380893640.db2.gz KGPJZVYXEOLWBL-UHFFFAOYSA-N 0 3 251.399 2.621 20 30 CFEDHN CSC1(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000404019927 380897593 /nfs/dbraw/zinc/89/75/93/380897593.db2.gz SQYYGECGRNCCSI-UHFFFAOYSA-N 0 3 250.342 2.683 20 30 CFEDHN CC(C)(O)C(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000404245534 380903299 /nfs/dbraw/zinc/90/32/99/380903299.db2.gz ZXMGHYCOJQTSQF-UHFFFAOYSA-N 0 3 264.344 2.584 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000404157803 380903648 /nfs/dbraw/zinc/90/36/48/380903648.db2.gz XGSNPBJLEGMFDH-HUUCEWRRSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CC[C@H]1N(C(=O)N[C@H](C)CN(C)C)CCCC1(C)C ZINC000358524754 380903937 /nfs/dbraw/zinc/90/39/37/380903937.db2.gz NJWAMOXPCJCDJB-ZIAGYGMSSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCNC(=O)CC1 ZINC000295516808 380908744 /nfs/dbraw/zinc/90/87/44/380908744.db2.gz LZIZITYVBXKXIG-CQSZACIVSA-N 0 3 290.382 2.730 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358566825 380931354 /nfs/dbraw/zinc/93/13/54/380931354.db2.gz CDTOXBBPQVAULP-MBNYWOFBSA-N 0 3 287.382 2.973 20 30 CFEDHN COc1ccc(CN2C[C@H]3CCCC[C@H]32)cc1C#N ZINC000368075749 380913824 /nfs/dbraw/zinc/91/38/24/380913824.db2.gz ZVCFTCGHWSIZTN-UKRRQHHQSA-N 0 3 256.349 2.941 20 30 CFEDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc(C#N)cc1F ZINC000358556522 380923398 /nfs/dbraw/zinc/92/33/98/380923398.db2.gz BIVGPVHUYGQMHU-BFKGZMGPSA-N 0 3 282.384 2.505 20 30 CFEDHN N#CCCC[C@H](NCc1c[nH]cn1)c1ccccc1 ZINC000353917245 380954698 /nfs/dbraw/zinc/95/46/98/380954698.db2.gz ULPNXNNBYDKGPP-HNNXBMFYSA-N 0 3 254.337 2.934 20 30 CFEDHN N#CCCC[C@H](NCc1cnc[nH]1)c1ccccc1 ZINC000353917245 380954704 /nfs/dbraw/zinc/95/47/04/380954704.db2.gz ULPNXNNBYDKGPP-HNNXBMFYSA-N 0 3 254.337 2.934 20 30 CFEDHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1ccc(C#N)cc1F ZINC000358569931 380936274 /nfs/dbraw/zinc/93/62/74/380936274.db2.gz MSPQBONMESBRQY-NWDGAFQWSA-N 0 3 272.327 2.633 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000287800526 380941565 /nfs/dbraw/zinc/94/15/65/380941565.db2.gz JOXQHBRVMJHAKV-IONNQARKSA-N 0 3 282.800 2.563 20 30 CFEDHN C[C@H](NC[C@H]1CCC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000358576339 380942822 /nfs/dbraw/zinc/94/28/22/380942822.db2.gz UAKCVIBEGQTNSX-FPMFFAJLSA-N 0 3 276.355 2.899 20 30 CFEDHN CC(C)N1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411144239 381009712 /nfs/dbraw/zinc/00/97/12/381009712.db2.gz OTGKOFBUFBJBPL-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 ZINC000264521360 383750483 /nfs/dbraw/zinc/75/04/83/383750483.db2.gz WYIOFPHWGXOCFH-UHFFFAOYSA-N 0 3 290.432 2.617 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000411225220 381017664 /nfs/dbraw/zinc/01/76/64/381017664.db2.gz RRJSZKAGTQISQM-KBPBESRZSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(CCC)CCc1cccc(F)c1 ZINC000411268163 381019915 /nfs/dbraw/zinc/01/99/15/381019915.db2.gz MFYXVOSPFYEAJW-AWEZNQCLSA-N 0 3 292.398 2.771 20 30 CFEDHN C=CCCCN(C)Cc1csc(C(=O)OC)c1 ZINC000411301985 381021005 /nfs/dbraw/zinc/02/10/05/381021005.db2.gz ZZGMZXAJMCQGQE-UHFFFAOYSA-N 0 3 253.367 2.933 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000411427051 381027352 /nfs/dbraw/zinc/02/73/52/381027352.db2.gz OASUZYRCAMYQRS-DGCLKSJQSA-N 0 3 273.384 2.554 20 30 CFEDHN CC(C)(C[C@H]1CCCN(CC#Cc2ccccc2)C1)C(N)=O ZINC000295657494 380999036 /nfs/dbraw/zinc/99/90/36/380999036.db2.gz QNIWDPQOWMPCHP-QGZVFWFLSA-N 0 3 298.430 2.652 20 30 CFEDHN Cn1c2ccccc2nc1CNCCc1cccc(C#N)c1 ZINC000341492427 381046582 /nfs/dbraw/zinc/04/65/82/381046582.db2.gz VDLMLPWZXGKXHN-UHFFFAOYSA-N 0 3 290.370 2.777 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CCO[C@H]1C1CC1 ZINC000341526648 381066802 /nfs/dbraw/zinc/06/68/02/381066802.db2.gz AMSABAVNPNMLSG-IRXDYDNUSA-N 0 3 288.366 2.992 20 30 CFEDHN C=CCCC[C@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000182344005 381068948 /nfs/dbraw/zinc/06/89/48/381068948.db2.gz BYMMNUXJIJCFLY-FZMZJTMJSA-N 0 3 264.344 2.687 20 30 CFEDHN N#Cc1cccc(CCNCc2csc([N+](=O)[O-])c2)c1 ZINC000341471987 381032858 /nfs/dbraw/zinc/03/28/58/381032858.db2.gz USHRHJQTGZGANA-UHFFFAOYSA-N 0 3 287.344 2.860 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)CC2CCCC2)s1 ZINC000341478258 381037239 /nfs/dbraw/zinc/03/72/39/381037239.db2.gz GMBRFSIGIVNYGW-ZDUSSCGKSA-N 0 3 278.421 2.898 20 30 CFEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289652969 381086097 /nfs/dbraw/zinc/08/60/97/381086097.db2.gz YECHQRUTEBFHLL-QWRGUYRKSA-N 0 3 264.756 2.668 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H]1CCn2ccnc21)C(C)C ZINC000295816882 381095810 /nfs/dbraw/zinc/09/58/10/381095810.db2.gz DCYDJQHVPYHHSO-CVEARBPZSA-N 0 3 288.439 2.616 20 30 CFEDHN COC1([C@H](C)NCc2cc(C#N)ccc2F)CCC1 ZINC000412024170 381097745 /nfs/dbraw/zinc/09/77/45/381097745.db2.gz YSOGBCABOGXOCM-NSHDSACASA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](CC)c1c(C)noc1C ZINC000182512416 381103943 /nfs/dbraw/zinc/10/39/43/381103943.db2.gz RYSUWYLGMPCYTC-STQMWFEESA-N 0 3 252.358 2.659 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1n[nH]cc1C)C(C)C ZINC000289714267 381116963 /nfs/dbraw/zinc/11/69/63/381116963.db2.gz CNWPHDTTWNUASJ-MRXNPFEDSA-N 0 3 276.428 2.506 20 30 CFEDHN C=C[C@@H](CO)NC1CC(c2cccc(Br)c2)C1 ZINC000289726493 381123858 /nfs/dbraw/zinc/12/38/58/381123858.db2.gz JWGSQZLOVWWIBU-QRMWWUJWSA-N 0 3 296.208 2.832 20 30 CFEDHN CC#CCCNCc1ccc(OCC)c(OCC)c1 ZINC000354179431 381123801 /nfs/dbraw/zinc/12/38/01/381123801.db2.gz NQFZWNYBBBZIEI-UHFFFAOYSA-N 0 3 261.365 2.987 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NCc1cccc(C#N)c1)CO2 ZINC000295864577 381123987 /nfs/dbraw/zinc/12/39/87/381123987.db2.gz GTEQXXZHSBKSMU-MRXNPFEDSA-N 0 3 294.354 2.660 20 30 CFEDHN C[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182628336 381124703 /nfs/dbraw/zinc/12/47/03/381124703.db2.gz NGHMNBNOBZCYCQ-WMLDXEAASA-N 0 3 297.402 2.786 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCCc2c(Cl)cccc21 ZINC000289731380 381126224 /nfs/dbraw/zinc/12/62/24/381126224.db2.gz KCVNPBLUUTUABA-HZMBPMFUSA-N 0 3 251.757 2.854 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000295955193 381180647 /nfs/dbraw/zinc/18/06/47/381180647.db2.gz JNYRBDOGJFOZQE-UAGQMJEPSA-N 0 3 298.386 2.614 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OCC(C)C)c(OCC)c1 ZINC000289850118 381186670 /nfs/dbraw/zinc/18/66/70/381186670.db2.gz NUJTVNHIZWIFDB-HNNXBMFYSA-N 0 3 293.407 2.757 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCN(C2CC2)C1 ZINC000295996306 381202991 /nfs/dbraw/zinc/20/29/91/381202991.db2.gz KRDIOASBTNFHIO-LBPRGKRZSA-N 0 3 275.421 2.536 20 30 CFEDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1sccc1C#N ZINC000183059848 381205120 /nfs/dbraw/zinc/20/51/20/381205120.db2.gz HUCCPESDAKORGG-NXEZZACHSA-N 0 3 265.382 2.582 20 30 CFEDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000183060170 381205544 /nfs/dbraw/zinc/20/55/44/381205544.db2.gz FTCVGUNRBIXFBQ-RYUDHWBXSA-N 0 3 259.353 2.521 20 30 CFEDHN C[C@H](CC1CCCCC1)CN1CCN(CC#N)CC1 ZINC000183319901 381254076 /nfs/dbraw/zinc/25/40/76/381254076.db2.gz YSQAMFSOELMFDO-OAHLLOKOSA-N 0 3 263.429 2.734 20 30 CFEDHN CCN(Cc1cccc(OCCCC#N)c1)[C@H](C)CO ZINC000354437804 381264512 /nfs/dbraw/zinc/26/45/12/381264512.db2.gz SHYQRVSJPWRPEW-CQSZACIVSA-N 0 3 276.380 2.572 20 30 CFEDHN C=CCc1cc(CN[C@H]2C[C@@H]2C(F)F)cc(OC)c1O ZINC000342203091 381220344 /nfs/dbraw/zinc/22/03/44/381220344.db2.gz HFHXEQJSZJEXQE-RYUDHWBXSA-N 0 3 283.318 2.873 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1 ZINC000342225252 381222457 /nfs/dbraw/zinc/22/24/57/381222457.db2.gz NHEUWRPCZKQSCY-CHWSQXEVSA-N 0 3 253.292 2.995 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCN1CCC ZINC000354388666 381239949 /nfs/dbraw/zinc/23/99/49/381239949.db2.gz NWXXVVFGRRCUIZ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@H](c1ccccc1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000369389304 381249441 /nfs/dbraw/zinc/24/94/41/381249441.db2.gz NTFPEWZTUYUGLD-CYBMUJFWSA-N 0 3 281.363 2.548 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1-c1cccnc1)C(C)(C)C ZINC000290074045 381288871 /nfs/dbraw/zinc/28/88/71/381288871.db2.gz FZVSNKGHKCJAPS-HNNXBMFYSA-N 0 3 282.391 2.620 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC(C)(C)CC(C)(C)C1 ZINC000342364021 381298208 /nfs/dbraw/zinc/29/82/08/381298208.db2.gz PCAGFPDHHYBFNP-AWEZNQCLSA-N 0 3 293.455 2.753 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000347687520 381299450 /nfs/dbraw/zinc/29/94/50/381299450.db2.gz ISHJMPSPFQCUHC-BETUJISGSA-N 0 3 275.371 2.612 20 30 CFEDHN CCn1cc([C@@H](C)NCCOc2ccccc2C#N)cn1 ZINC000296273119 381327600 /nfs/dbraw/zinc/32/76/00/381327600.db2.gz YJHXAXDTCQLEMS-CYBMUJFWSA-N 0 3 284.363 2.504 20 30 CFEDHN Cc1cccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)c1C ZINC000183709430 381308816 /nfs/dbraw/zinc/30/88/16/381308816.db2.gz RQSIGUDVRZZOJD-KSSFIOAISA-N 0 3 299.418 2.763 20 30 CFEDHN C#C[C@H](NCc1ccc(NC(C)=O)cc1)C(C)(C)C ZINC000290216938 381346556 /nfs/dbraw/zinc/34/65/56/381346556.db2.gz RCFFPNBGMNMTGM-HNNXBMFYSA-N 0 3 258.365 2.783 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](c1cccs1)C1CC1 ZINC000342470020 381349436 /nfs/dbraw/zinc/34/94/36/381349436.db2.gz IPPCRNKFZAANCH-INIZCTEOSA-N 0 3 290.432 2.989 20 30 CFEDHN C#C[C@@H](NCc1ccc(-n2cncn2)c(C)c1)C(C)(C)C ZINC000290273782 381367134 /nfs/dbraw/zinc/36/71/34/381367134.db2.gz YFRBGBYZMYRDLE-MRXNPFEDSA-N 0 3 282.391 2.713 20 30 CFEDHN C=C(C)CN(CCC(=O)N(C)CC)Cc1ccccc1 ZINC000348227242 381474184 /nfs/dbraw/zinc/47/41/84/381474184.db2.gz KTUFVTFZJAONQD-UHFFFAOYSA-N 0 3 274.408 2.933 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000348249509 381476292 /nfs/dbraw/zinc/47/62/92/381476292.db2.gz XHFGWYZLPKMRSW-RRFJBIMHSA-N 0 3 253.386 2.611 20 30 CFEDHN CN(CCN(C)C1CC1)c1nc(C(F)(F)F)ccc1C#N ZINC000184783485 381478340 /nfs/dbraw/zinc/47/83/40/381478340.db2.gz MAFRRWLDRSGQBH-UHFFFAOYSA-N 0 3 298.312 2.502 20 30 CFEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1CCCSCC#N ZINC000348293264 381483828 /nfs/dbraw/zinc/48/38/28/381483828.db2.gz ZHSQNCDCBOFWEJ-NXEZZACHSA-N 0 3 266.332 2.906 20 30 CFEDHN C=CCOCCCN1CCN(C)CC12CCCCC2 ZINC000348052801 381458549 /nfs/dbraw/zinc/45/85/49/381458549.db2.gz UEIJYQFSDBLXGA-UHFFFAOYSA-N 0 3 266.429 2.529 20 30 CFEDHN C=CCOCCCNC(C)(C)c1nc(C)cs1 ZINC000348052367 381458601 /nfs/dbraw/zinc/45/86/01/381458601.db2.gz OHNAKIKGSDKAGD-UHFFFAOYSA-N 0 3 254.399 2.869 20 30 CFEDHN C=C(C)CN(C)C[C@@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348072492 381460408 /nfs/dbraw/zinc/46/04/08/381460408.db2.gz BDILSNWWIYJSIU-OLZOCXBDSA-N 0 3 283.416 2.563 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000348169032 381467267 /nfs/dbraw/zinc/46/72/67/381467267.db2.gz OYDHDEKSHXZUCD-SQWLQELKSA-N 0 3 278.440 2.968 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)o1 ZINC000290658087 381513731 /nfs/dbraw/zinc/51/37/31/381513731.db2.gz ZLRHVOQBGPCHRR-OWCLPIDISA-N 0 3 250.301 2.579 20 30 CFEDHN C[C@@H](CO)N(Cc1cc(C#N)cs1)CC1CCC1 ZINC000348333933 381514251 /nfs/dbraw/zinc/51/42/51/381514251.db2.gz DCLYGHWKTMRGRS-NSHDSACASA-N 0 3 264.394 2.603 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000342749278 381516015 /nfs/dbraw/zinc/51/60/15/381516015.db2.gz YSFHQFYSJKVXMF-IIAWOOMASA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCCC[C@@H]1C ZINC000342701934 381488276 /nfs/dbraw/zinc/48/82/76/381488276.db2.gz HBJHIUCSEGBQHQ-GJZGRUSLSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000342718006 381495176 /nfs/dbraw/zinc/49/51/76/381495176.db2.gz GZCBQGXSDYPDPJ-CKDBGZEDSA-N 0 3 291.439 2.814 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc(OC)c(O)c1 ZINC000290612753 381496799 /nfs/dbraw/zinc/49/67/99/381496799.db2.gz IASBSEUWUOZLBR-LLVKDONJSA-N 0 3 267.394 2.971 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N1CCCN(CC(C)C)CC1)OCC ZINC000371052827 381538886 /nfs/dbraw/zinc/53/88/86/381538886.db2.gz FFEOYLOLKYLVGR-MRXNPFEDSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000342794292 381545505 /nfs/dbraw/zinc/54/55/05/381545505.db2.gz XJYVFAXRNRBQDV-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290717942 381528936 /nfs/dbraw/zinc/52/89/36/381528936.db2.gz YHMQNDCIZBAPTI-AWEZNQCLSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000185253718 381579010 /nfs/dbraw/zinc/57/90/10/381579010.db2.gz UJYPNFBCBNIYML-HNNXBMFYSA-N 0 3 274.408 2.837 20 30 CFEDHN COc1ccc([C@@H](C)NCC(C)(C)CC#N)cc1O ZINC000414162577 381565444 /nfs/dbraw/zinc/56/54/44/381565444.db2.gz HKPHDBNHVZBWBU-LLVKDONJSA-N 0 3 262.353 2.991 20 30 CFEDHN C=CCC[C@@H](O)CN1CC(Cc2cccc(F)c2)C1 ZINC000371349656 381598165 /nfs/dbraw/zinc/59/81/65/381598165.db2.gz LBJJTAZUGIZLET-MRXNPFEDSA-N 0 3 263.356 2.627 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCC[C@@H]1SCC ZINC000348478231 381584833 /nfs/dbraw/zinc/58/48/33/381584833.db2.gz LUXAFQRUDHGZIV-KGLIPLIRSA-N 0 3 284.469 2.675 20 30 CFEDHN C=C(CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000359733318 381584941 /nfs/dbraw/zinc/58/49/41/381584941.db2.gz SSTKUSNYGZJXDD-UHFFFAOYSA-N 0 3 251.333 2.700 20 30 CFEDHN C=CCN1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185383721 381618934 /nfs/dbraw/zinc/61/89/34/381618934.db2.gz JIUKXFYAGDUOKR-CYBMUJFWSA-N 0 3 290.407 2.702 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(OC(C)C)ncn2)CC1 ZINC000298439389 381625207 /nfs/dbraw/zinc/62/52/07/381625207.db2.gz XLHOJYKAMPUSDO-UHFFFAOYSA-N 0 3 290.411 2.716 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)o1 ZINC000348555075 381635655 /nfs/dbraw/zinc/63/56/55/381635655.db2.gz ZHKPIBSWKFMURX-OLZOCXBDSA-N 0 3 262.353 2.667 20 30 CFEDHN CCCN(CCN1CCCC1)Cc1cc(C#N)cs1 ZINC000348559961 381637883 /nfs/dbraw/zinc/63/78/83/381637883.db2.gz UNSZEIDBLBBLTF-UHFFFAOYSA-N 0 3 277.437 2.928 20 30 CFEDHN C[C@H]1CCCC[C@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298475196 381641696 /nfs/dbraw/zinc/64/16/96/381641696.db2.gz RUIJEVGMEHUJRX-WMLDXEAASA-N 0 3 299.418 2.685 20 30 CFEDHN CC[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@H]1O ZINC000355190284 381667193 /nfs/dbraw/zinc/66/71/93/381667193.db2.gz PNLLKDCJKAWMEB-WBVHZDCISA-N 0 3 288.391 2.572 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)Nc1ccc(C#N)cc1 ZINC000298496359 381651928 /nfs/dbraw/zinc/65/19/28/381651928.db2.gz GQLPLDBYEMGUHX-HNNXBMFYSA-N 0 3 288.395 2.656 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343402899 381688358 /nfs/dbraw/zinc/68/83/58/381688358.db2.gz PAJKGANFHGONIE-IRXDYDNUSA-N 0 3 279.343 2.573 20 30 CFEDHN CN(CC[C@@H]1CCCO1)Cc1cc(C#N)cs1 ZINC000343468121 381734974 /nfs/dbraw/zinc/73/49/74/381734974.db2.gz LEPCJOIWGHYDCO-LBPRGKRZSA-N 0 3 250.367 2.621 20 30 CFEDHN N#C[C@H]1CCC[C@H](N[C@H]2COc3ccccc3C2)C1 ZINC000185818760 381743784 /nfs/dbraw/zinc/74/37/84/381743784.db2.gz OHBVXQZFOGQOPS-AEGPPILISA-N 0 3 256.349 2.662 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H](C)CC ZINC000343488889 381746466 /nfs/dbraw/zinc/74/64/66/381746466.db2.gz XAZFJPJNRMJRCA-UONOGXRCSA-N 0 3 254.418 2.777 20 30 CFEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2ccc(F)cc2)C1 ZINC000185752485 381722750 /nfs/dbraw/zinc/72/27/50/381722750.db2.gz LJUXTLAZWQRTNE-CQDKDKBSSA-N 0 3 262.328 2.531 20 30 CFEDHN C=CCOc1ccc(CN(C)CC2(O)CCC2)cc1OC ZINC000355376641 381764399 /nfs/dbraw/zinc/76/43/99/381764399.db2.gz XCUQADSZTRYRHR-UHFFFAOYSA-N 0 3 291.391 2.607 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000360137922 381766444 /nfs/dbraw/zinc/76/64/44/381766444.db2.gz YINOAYJJUFAHKN-CHWSQXEVSA-N 0 3 256.349 2.973 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)CC1CCC(=O)CC1 ZINC000289353330 197308413 /nfs/dbraw/zinc/30/84/13/197308413.db2.gz NHAMMMOKNXWWGR-UHFFFAOYSA-N 0 3 256.349 2.749 20 30 CFEDHN C=CCCN(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416215843 381883244 /nfs/dbraw/zinc/88/32/44/381883244.db2.gz OZBZTCGNQMNGBS-HNNXBMFYSA-N 0 3 260.381 2.714 20 30 CFEDHN CN(C)[C@H](CC(=O)N(C)CC(C)(C)C#N)c1ccccc1 ZINC000416243848 381883564 /nfs/dbraw/zinc/88/35/64/381883564.db2.gz UPUJMKVGOZWVJI-OAHLLOKOSA-N 0 3 287.407 2.688 20 30 CFEDHN CN1CCC[C@]2(CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC000292809802 381846308 /nfs/dbraw/zinc/84/63/08/381846308.db2.gz NZESYIFUVMJVKP-HNNXBMFYSA-N 0 3 290.798 2.529 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)=C(C)C1 ZINC000361600416 381848766 /nfs/dbraw/zinc/84/87/66/381848766.db2.gz CKZXQKABVMQUKC-OAHLLOKOSA-N 0 3 262.397 2.618 20 30 CFEDHN C=CCN(CCOC)CCO[C@H]1CCCC[C@@H]1C ZINC000362050687 381885857 /nfs/dbraw/zinc/88/58/57/381885857.db2.gz SADINVVQHIGLHO-GJZGRUSLSA-N 0 3 255.402 2.716 20 30 CFEDHN C=CCOc1ccc(CN(CC=C)CCOC)cc1 ZINC000361645335 381853177 /nfs/dbraw/zinc/85/31/77/381853177.db2.gz RIFRDSYDCPTFSD-UHFFFAOYSA-N 0 3 261.365 2.886 20 30 CFEDHN C=CCC1(C(=O)NCC2(N(C)C)CC2)CCCCC1 ZINC000416310350 381886166 /nfs/dbraw/zinc/88/61/66/381886166.db2.gz ZKNFRYHXMHKCPZ-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN Cc1ccsc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292848489 381862784 /nfs/dbraw/zinc/86/27/84/381862784.db2.gz SYONWTOWUFABPZ-CQSZACIVSA-N 0 3 299.399 2.977 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415887698 381869443 /nfs/dbraw/zinc/86/94/43/381869443.db2.gz XXIXKVWLPZIUEJ-UHFFFAOYSA-N 0 3 273.380 2.762 20 30 CFEDHN C=CCN(CCC(=O)Nc1cccnc1)CCc1ccco1 ZINC000361863767 381869726 /nfs/dbraw/zinc/86/97/26/381869726.db2.gz ZPUDYWTWDGMDLZ-UHFFFAOYSA-N 0 3 299.374 2.734 20 30 CFEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NCCC#N ZINC000299254764 381872962 /nfs/dbraw/zinc/87/29/62/381872962.db2.gz JWOUHXKLTZMUQD-MRXNPFEDSA-N 0 3 259.397 2.646 20 30 CFEDHN CCN1CCC(N(C)C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000362229244 381966573 /nfs/dbraw/zinc/96/65/73/381966573.db2.gz CREISOAYHGRAPT-CQSZACIVSA-N 0 3 299.418 2.604 20 30 CFEDHN CC#CCN(C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000293054181 381968986 /nfs/dbraw/zinc/96/89/86/381968986.db2.gz IBHZDFYZFWVILF-CJNGLKHVSA-N 0 3 295.810 2.734 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1sccc1OC ZINC000349425740 381933082 /nfs/dbraw/zinc/93/30/82/381933082.db2.gz VMLHIKIXQAPSGM-QWRGUYRKSA-N 0 3 255.383 2.592 20 30 CFEDHN COC(=O)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC12CCC2 ZINC000373153673 381937389 /nfs/dbraw/zinc/93/73/89/381937389.db2.gz UCXHWSIRGVEACR-XJKSGUPXSA-N 0 3 298.386 2.894 20 30 CFEDHN Cc1ccc(N(C)CCCN(C)Cc2ccco2)nc1C#N ZINC000343782537 381939433 /nfs/dbraw/zinc/93/94/33/381939433.db2.gz OLBDDPVFWZMOJW-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN COC(=O)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000186768836 382009661 /nfs/dbraw/zinc/00/96/61/382009661.db2.gz MZRBYEVIMGXBMQ-WFASDCNBSA-N 0 3 272.348 2.504 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](OC)C2CC2)cc1OC ZINC000293069897 381976477 /nfs/dbraw/zinc/97/64/77/381976477.db2.gz SUKBERFECQIBOE-KRWDZBQOSA-N 0 3 291.391 2.775 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000349805369 381991543 /nfs/dbraw/zinc/99/15/43/381991543.db2.gz VMKYSKWNXAVULH-TZMCWYRMSA-N 0 3 284.338 2.793 20 30 CFEDHN Cc1nn(-c2ccccc2)cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000349814742 381992990 /nfs/dbraw/zinc/99/29/90/381992990.db2.gz WBSSHAHNUGDUQY-GDBMZVCRSA-N 0 3 280.375 2.963 20 30 CFEDHN COc1ccc(CCNCc2ccc(C#N)o2)c(OC)c1 ZINC000343868808 381993185 /nfs/dbraw/zinc/99/31/85/381993185.db2.gz OGRDRVYPOJFGHL-UHFFFAOYSA-N 0 3 286.331 2.501 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000351509496 382042948 /nfs/dbraw/zinc/04/29/48/382042948.db2.gz AXXJSUPLKJYVDT-JQWIXIFHSA-N 0 3 284.281 2.826 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H](Oc2ccccc2)C1 ZINC000351593211 382045764 /nfs/dbraw/zinc/04/57/64/382045764.db2.gz BSNGTRMOGUHZOC-WBVHZDCISA-N 0 3 275.392 2.857 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000351615224 382048576 /nfs/dbraw/zinc/04/85/76/382048576.db2.gz LKVFKHLJNOOTHT-HNNXBMFYSA-N 0 3 281.444 2.762 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCCC#N ZINC000374656950 382051570 /nfs/dbraw/zinc/05/15/70/382051570.db2.gz CIIBTNKPDRLLQK-KGLIPLIRSA-N 0 3 293.411 2.764 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000351683942 382055123 /nfs/dbraw/zinc/05/51/23/382055123.db2.gz GLXNDOKNPIHKPI-CABCVRRESA-N 0 3 281.444 2.905 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000351057510 382021375 /nfs/dbraw/zinc/02/13/75/382021375.db2.gz OSDLYWYCWOFTPW-CABCVRRESA-N 0 3 299.374 2.857 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN1CCCN(C2CC2)CC1 ZINC000186889785 382037620 /nfs/dbraw/zinc/03/76/20/382037620.db2.gz ZYTCIAZGMSLSJI-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301227534 382110166 /nfs/dbraw/zinc/11/01/66/382110166.db2.gz CMWVSGMWANDUNN-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN CC1(CN(Cc2ccc(C#N)cc2)C2CC2)COC1 ZINC000344074829 382111347 /nfs/dbraw/zinc/11/13/47/382111347.db2.gz RCEUFLUDIGLVSY-UHFFFAOYSA-N 0 3 256.349 2.559 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@](C)(O)CC2)cc1 ZINC000376018530 382114877 /nfs/dbraw/zinc/11/48/77/382114877.db2.gz JJRUJFKGZSAKOP-PBHICJAKSA-N 0 3 288.391 2.714 20 30 CFEDHN C=CCOCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000293417180 382114957 /nfs/dbraw/zinc/11/49/57/382114957.db2.gz IMFCCZQQVPQBDN-UHFFFAOYSA-N 0 3 256.349 2.725 20 30 CFEDHN C[C@@H]1CCCN(CCNc2cccc(F)c2C#N)C1 ZINC000301077027 382075278 /nfs/dbraw/zinc/07/52/78/382075278.db2.gz GGIREYUMEABZNU-GFCCVEGCSA-N 0 3 261.344 2.841 20 30 CFEDHN C#CCCN1CCN(c2ccccc2OC)CC[C@@H]1C ZINC000375671724 382096547 /nfs/dbraw/zinc/09/65/47/382096547.db2.gz JDNDJOXFRTWGEV-HNNXBMFYSA-N 0 3 272.392 2.619 20 30 CFEDHN CC(C)[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000357355041 382130450 /nfs/dbraw/zinc/13/04/50/382130450.db2.gz NNPDXLXHYIXXFC-ZBFHGGJFSA-N 0 3 276.355 2.991 20 30 CFEDHN COCCN1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000301338854 382152552 /nfs/dbraw/zinc/15/25/52/382152552.db2.gz FENYTMNJNRGOAD-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN C=CCOCCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000293538224 382163712 /nfs/dbraw/zinc/16/37/12/382163712.db2.gz QCQCHFYBTUGUIF-QGZVFWFLSA-N 0 3 275.392 2.635 20 30 CFEDHN Cn1nc(CCNCc2cc(C#N)cs2)c2ccccc21 ZINC000187385196 382168904 /nfs/dbraw/zinc/16/89/04/382168904.db2.gz IKYHJFXLNPCPSN-UHFFFAOYSA-N 0 3 296.399 2.839 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000344160421 382170552 /nfs/dbraw/zinc/17/05/52/382170552.db2.gz HWBDKHLHDLKCHO-CQSZACIVSA-N 0 3 264.413 2.555 20 30 CFEDHN CC[C@]1(C)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000344214912 382204072 /nfs/dbraw/zinc/20/40/72/382204072.db2.gz HBPUVYRIMGPPKB-BMFZPTHFSA-N 0 3 279.428 2.551 20 30 CFEDHN Cc1cc(C)c(C#N)c(SC[C@@H]2CCN(C)C2)n1 ZINC000187655989 382237086 /nfs/dbraw/zinc/23/70/86/382237086.db2.gz DDXCKEMOUULICV-GFCCVEGCSA-N 0 3 261.394 2.614 20 30 CFEDHN CN1CC[C@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccs1 ZINC000376909436 382190069 /nfs/dbraw/zinc/19/00/69/382190069.db2.gz DDSUVEVQHYLCFE-IAQYHMDHSA-N 0 3 299.403 2.515 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419325658 382285494 /nfs/dbraw/zinc/28/54/94/382285494.db2.gz LHTQHSDGNDBYMT-CABCVRRESA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@]2(CCCOC2)C1 ZINC000352359502 382288486 /nfs/dbraw/zinc/28/84/86/382288486.db2.gz AZCJDUKTXSGTSK-LSDHHAIUSA-N 0 3 253.386 2.613 20 30 CFEDHN C#C[C@H](NCc1c[nH]nc1-c1cccs1)C(C)C ZINC000302327687 382240064 /nfs/dbraw/zinc/24/00/64/382240064.db2.gz KLGKFPSNISOOOH-LBPRGKRZSA-N 0 3 259.378 2.886 20 30 CFEDHN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1=CCCC1 ZINC000419280385 382270057 /nfs/dbraw/zinc/27/00/57/382270057.db2.gz KITAEWUCLVHZGO-INIZCTEOSA-N 0 3 297.402 2.811 20 30 CFEDHN CC(C#N)C(=O)NCCCSc1ccc(F)cc1 ZINC000345793028 382313269 /nfs/dbraw/zinc/31/32/69/382313269.db2.gz HIJBENXDAREFHN-SNVBAGLBSA-N 0 3 266.341 2.584 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](CCC)c1ccccc1 ZINC000293892153 382324729 /nfs/dbraw/zinc/32/47/29/382324729.db2.gz DOVXPPDKXYRFAA-QGZVFWFLSA-N 0 3 286.419 2.642 20 30 CFEDHN Cc1c(C(=O)C(C#N)c2ccncn2)ccn1C(C)C ZINC000346000771 382326573 /nfs/dbraw/zinc/32/65/73/382326573.db2.gz ZUWCXALLVNUZCL-ZDUSSCGKSA-N 0 3 268.320 2.658 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302829175 382329544 /nfs/dbraw/zinc/32/95/44/382329544.db2.gz JMDGXAMZVWPLRV-KBPBESRZSA-N 0 3 282.391 2.962 20 30 CFEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCC1 ZINC000346172740 382334441 /nfs/dbraw/zinc/33/44/41/382334441.db2.gz CARJTWOROCZRJB-HRCADAONSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352446124 382336658 /nfs/dbraw/zinc/33/66/58/382336658.db2.gz VHOCWVWTLZDWRF-HLLBOEOZSA-N 0 3 296.455 2.594 20 30 CFEDHN CCC[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000420240416 382337048 /nfs/dbraw/zinc/33/70/48/382337048.db2.gz UNZZRKIPAXOYHL-SNVBAGLBSA-N 0 3 298.312 2.550 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000352446126 382337184 /nfs/dbraw/zinc/33/71/84/382337184.db2.gz VHOCWVWTLZDWRF-YQQAZPJKSA-N 0 3 296.455 2.594 20 30 CFEDHN CCOc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000357826912 382339115 /nfs/dbraw/zinc/33/91/15/382339115.db2.gz MMRYXMHMLRUFNI-DOMZBBRYSA-N 0 3 272.348 2.908 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000377578167 382296347 /nfs/dbraw/zinc/29/63/47/382296347.db2.gz AOGFFJPFMJUQHS-QGZVFWFLSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)CN(CC)CC ZINC000303441148 382360078 /nfs/dbraw/zinc/36/00/78/382360078.db2.gz HSEBMPQHAFXKAS-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCOCCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000293978159 382363138 /nfs/dbraw/zinc/36/31/38/382363138.db2.gz DNWJLWOMNZVLON-LSDHHAIUSA-N 0 3 281.783 2.962 20 30 CFEDHN C=CC[C@@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000680485071 542330372 /nfs/dbraw/zinc/33/03/72/542330372.db2.gz URWBQDCHRMDJOW-KRWDZBQOSA-N 0 3 299.418 2.575 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352676912 382447759 /nfs/dbraw/zinc/44/77/59/382447759.db2.gz VCZOVDZQJXWCSA-NWDGAFQWSA-N 0 3 292.345 2.809 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)CC1CCCC1 ZINC000188632280 382445761 /nfs/dbraw/zinc/44/57/61/382445761.db2.gz WBBJHXAICNUQTG-QGZVFWFLSA-N 0 3 272.392 2.931 20 30 CFEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccoc1 ZINC000378168833 382411054 /nfs/dbraw/zinc/41/10/54/382411054.db2.gz NDCDQWMSEDPTMZ-ZDUSSCGKSA-N 0 3 296.374 2.866 20 30 CFEDHN CC[C@H](C)[C@H](CNCc1ccc(C#N)cc1F)OC ZINC000294099077 382413455 /nfs/dbraw/zinc/41/34/55/382413455.db2.gz BTBLFYNAEYOEQO-NHYWBVRUSA-N 0 3 264.344 2.848 20 30 CFEDHN CC[C@@H](C)[C@@H](CNCc1ccc(C#N)s1)OC ZINC000294097088 382413921 /nfs/dbraw/zinc/41/39/21/382413921.db2.gz BPNBBCIWXGCZTE-ZWNOBZJWSA-N 0 3 252.383 2.770 20 30 CFEDHN C=CCC1(CNC(=O)N(C)C[C@@H]2CCCN2C)CCCC1 ZINC000420838729 382472765 /nfs/dbraw/zinc/47/27/65/382472765.db2.gz GXJRKSIVBXCYSB-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2ccc(C#N)cc2)c1 ZINC000189006970 382522288 /nfs/dbraw/zinc/52/22/88/382522288.db2.gz VSRDYLGVYCLOCJ-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN C=C(C)CN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547097 382527027 /nfs/dbraw/zinc/52/70/27/382527027.db2.gz XJSJXTZOCKFOSW-ZIAGYGMSSA-N 0 3 280.412 2.894 20 30 CFEDHN CC[C@@H]1CN(CCCSCC#N)C[C@H](CC)O1 ZINC000420955371 382500397 /nfs/dbraw/zinc/50/03/97/382500397.db2.gz LJVSYUTXTFSRMI-BETUJISGSA-N 0 3 256.415 2.523 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420941959 382500837 /nfs/dbraw/zinc/50/08/37/382500837.db2.gz GMHPHYZKZGPIRR-NEPJUHHUSA-N 0 3 265.319 2.978 20 30 CFEDHN C[C@@H]1CC[C@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000421000226 382502568 /nfs/dbraw/zinc/50/25/68/382502568.db2.gz AUTKTKWNGXEPIB-HIFRSBDPSA-N 0 3 272.392 2.833 20 30 CFEDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccccc1C(C)(C)C#N ZINC000421000228 382503130 /nfs/dbraw/zinc/50/31/30/382503130.db2.gz AUTKTKWNGXEPIB-UKRRQHHQSA-N 0 3 272.392 2.833 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000421361219 382513118 /nfs/dbraw/zinc/51/31/18/382513118.db2.gz KOKKJNNFIXAQDD-HOCLYGCPSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](CO)C[C@H](C)C2)c1 ZINC000421361218 382513177 /nfs/dbraw/zinc/51/31/77/382513177.db2.gz KOKKJNNFIXAQDD-GOEBONIOSA-N 0 3 275.392 2.702 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CCCOC)C1CCN(C)CC1 ZINC000358224945 382513292 /nfs/dbraw/zinc/51/32/92/382513292.db2.gz NDKXRLIJWYFYMY-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000346844437 382541335 /nfs/dbraw/zinc/54/13/35/382541335.db2.gz LNYBLIPHIOTLPR-OAHLLOKOSA-N 0 3 265.784 2.917 20 30 CFEDHN C=CC[C@@H](C(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000189099000 382542844 /nfs/dbraw/zinc/54/28/44/382542844.db2.gz QYJDSQRSJGCCLD-QGZVFWFLSA-N 0 3 286.419 2.947 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000358290946 382549862 /nfs/dbraw/zinc/54/98/62/382549862.db2.gz FKGVPSOTUPWVKK-GHMZBOCLSA-N 0 3 262.353 2.879 20 30 CFEDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000328646997 382559850 /nfs/dbraw/zinc/55/98/50/382559850.db2.gz HDAKJQBCKCPVQK-VHSXEESVSA-N 0 3 279.409 2.998 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN1CCC(C#N)CC1 ZINC000346893847 382562277 /nfs/dbraw/zinc/56/22/77/382562277.db2.gz CZUNARDVQUYPIM-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H](C)N2CCCC[C@H]2C)n1 ZINC000346822806 382530675 /nfs/dbraw/zinc/53/06/75/382530675.db2.gz FHXSEQZZJYGIDI-ZIAGYGMSSA-N 0 3 272.396 2.937 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068638 382535063 /nfs/dbraw/zinc/53/50/63/382535063.db2.gz ZQUAKBNNNAYLTI-RHSMWYFYSA-N 0 3 286.419 2.945 20 30 CFEDHN Cc1cc(C)c(CNCc2ccc(C#N)cc2)cn1 ZINC000396990973 382632475 /nfs/dbraw/zinc/63/24/75/382632475.db2.gz BSRNHBMHGJHCJC-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN C=CCCOCCN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000358368705 382591765 /nfs/dbraw/zinc/59/17/65/382591765.db2.gz OYPSKNRQHBGVAS-SFHVURJKSA-N 0 3 297.402 2.943 20 30 CFEDHN CCOC(=O)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189340782 382594843 /nfs/dbraw/zinc/59/48/43/382594843.db2.gz YSGCBMFSRHGHIX-BBRMVZONSA-N 0 3 286.375 2.894 20 30 CFEDHN CC1(C)OCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000295259010 382601455 /nfs/dbraw/zinc/60/14/55/382601455.db2.gz REMOJWHONDKFMW-AWEZNQCLSA-N 0 3 263.768 2.849 20 30 CFEDHN CO[C@@H]([C@H](C)NCc1cc(C#N)cs1)C1CC1 ZINC000388259228 382604156 /nfs/dbraw/zinc/60/41/56/382604156.db2.gz CKDZUVMPRLUVAT-ZANVPECISA-N 0 3 250.367 2.523 20 30 CFEDHN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1CO ZINC000190388341 382665617 /nfs/dbraw/zinc/66/56/17/382665617.db2.gz PLWHCMJBSWTSKH-IUODEOHRSA-N 0 3 297.320 2.760 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190486985 382670849 /nfs/dbraw/zinc/67/08/49/382670849.db2.gz CKJKOEVROHCZIF-YOEHRIQHSA-N 0 3 288.391 2.574 20 30 CFEDHN C=CCC1(C(=O)N(C)CC2(N(C)C)CCC2)CCC1 ZINC000190773679 382680126 /nfs/dbraw/zinc/68/01/26/382680126.db2.gz ZZPIGGFLOLJMOJ-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@H]1CCCC[C@H]1OCCNCc1cc(C#N)n(C)c1 ZINC000190804365 382681037 /nfs/dbraw/zinc/68/10/37/382681037.db2.gz SAXQOCWVZAQYEP-XJKSGUPXSA-N 0 3 275.396 2.582 20 30 CFEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191163651 382694121 /nfs/dbraw/zinc/69/41/21/382694121.db2.gz ZUYDCJLHHVWOSS-UHFFFAOYSA-N 0 3 253.349 2.919 20 30 CFEDHN Cc1oc(NC(=O)CN[C@@H]2CCCC2(C)C)c(C#N)c1C ZINC000191290017 382697777 /nfs/dbraw/zinc/69/77/77/382697777.db2.gz DWNUCSMORXPDMU-CYBMUJFWSA-N 0 3 289.379 2.875 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCCC2(C)C)c(C#N)c1C ZINC000191290017 382697778 /nfs/dbraw/zinc/69/77/78/382697778.db2.gz DWNUCSMORXPDMU-CYBMUJFWSA-N 0 3 289.379 2.875 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000192148404 382705131 /nfs/dbraw/zinc/70/51/31/382705131.db2.gz MIJNJMPDFSNYSU-WMZOPIPTSA-N 0 3 298.430 2.959 20 30 CFEDHN C#CCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000192314593 382707073 /nfs/dbraw/zinc/70/70/73/382707073.db2.gz CASHDLJFPRANLH-UHFFFAOYSA-N 0 3 258.365 2.799 20 30 CFEDHN CCN(C(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192549709 382710014 /nfs/dbraw/zinc/71/00/14/382710014.db2.gz GLHOXMMEPKBHDS-INIZCTEOSA-N 0 3 285.391 2.784 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ccnn1C)C(C)C ZINC000192657006 382711044 /nfs/dbraw/zinc/71/10/44/382711044.db2.gz HPEUVPXHZVKVLA-NVXWUHKLSA-N 0 3 290.455 2.769 20 30 CFEDHN C[C@H](NC[C@@H](O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000192959363 382713943 /nfs/dbraw/zinc/71/39/43/382713943.db2.gz JLIGHRZHADIZSL-KBXCAEBGSA-N 0 3 296.370 2.973 20 30 CFEDHN COc1cnccc1[C@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000193328951 382718761 /nfs/dbraw/zinc/71/87/61/382718761.db2.gz JNLNBTMKPDNPEB-RWMBFGLXSA-N 0 3 259.353 2.823 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(C)CCCCc1ccccc1 ZINC000193438468 382719825 /nfs/dbraw/zinc/71/98/25/382719825.db2.gz WSMNNTVFMMXMJL-OAHLLOKOSA-N 0 3 274.408 2.632 20 30 CFEDHN CC(C)[C@@H](C)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000575046882 382724485 /nfs/dbraw/zinc/72/44/85/382724485.db2.gz QVZWEIDXVGZTRP-GFCCVEGCSA-N 0 3 283.379 2.610 20 30 CFEDHN C[C@@H]1CCC[C@H](NCC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000194037802 382732902 /nfs/dbraw/zinc/73/29/02/382732902.db2.gz VLFJIQFWOUSJPC-WZRBSPASSA-N 0 3 291.420 2.973 20 30 CFEDHN C=CCN1CC[C@H](N2CCCC[C@@H]2Cc2ccccc2)C1=O ZINC000337129365 382764647 /nfs/dbraw/zinc/76/46/47/382764647.db2.gz INLZYCTVIORHAJ-MSOLQXFVSA-N 0 3 298.430 2.871 20 30 CFEDHN C=CCN1CC[C@@H](N2CCCC[C@H]2Cc2ccccc2)C1=O ZINC000337129369 382764967 /nfs/dbraw/zinc/76/49/67/382764967.db2.gz INLZYCTVIORHAJ-ZWKOTPCHSA-N 0 3 298.430 2.871 20 30 CFEDHN CC[C@H]1CO[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337143856 382767380 /nfs/dbraw/zinc/76/73/80/382767380.db2.gz VUIXHBALIUCVDL-GJZGRUSLSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccccc3C)C[C@H]2C)C1=O ZINC000337194398 382774482 /nfs/dbraw/zinc/77/44/82/382774482.db2.gz VHKWYUWOQMSSNZ-NUJGCVRESA-N 0 3 298.430 2.960 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@@H](CC)Cc2ccccc2)C1=O ZINC000337198274 382775100 /nfs/dbraw/zinc/77/51/00/382775100.db2.gz YBDXTGPJCFEPJQ-DLBZAZTESA-N 0 3 286.419 2.726 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](C)[C@@H](C)O1 ZINC000337200466 382775493 /nfs/dbraw/zinc/77/54/93/382775493.db2.gz FDLYMSRGPVZVMY-RBSFLKMASA-N 0 3 280.412 2.585 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCC[C@H]2OC(F)F)c1 ZINC000337288038 382794626 /nfs/dbraw/zinc/79/46/26/382794626.db2.gz LIFLBXWQLIACAL-WDEREUQCSA-N 0 3 272.320 2.870 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2OC(F)F)s1 ZINC000337287723 382794761 /nfs/dbraw/zinc/79/47/61/382794761.db2.gz LFTVJLNSSOQTPQ-QWRGUYRKSA-N 0 3 272.320 2.870 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2OC(F)F)s1 ZINC000337287724 382794779 /nfs/dbraw/zinc/79/47/79/382794779.db2.gz LFTVJLNSSOQTPQ-WDEREUQCSA-N 0 3 272.320 2.870 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)s1 ZINC000337287720 382794830 /nfs/dbraw/zinc/79/48/30/382794830.db2.gz LFTVJLNSSOQTPQ-GHMZBOCLSA-N 0 3 272.320 2.870 20 30 CFEDHN C[C@@H](CNc1nc(Cl)c(C#N)s1)N(C)C1CC1 ZINC000220124686 382795152 /nfs/dbraw/zinc/79/51/52/382795152.db2.gz PSOXNYOGISTMMK-ZETCQYMHSA-N 0 3 270.789 2.563 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000337270921 382790695 /nfs/dbraw/zinc/79/06/95/382790695.db2.gz BILNPDFNSWTCAO-CHWSQXEVSA-N 0 3 284.281 2.947 20 30 CFEDHN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000575811917 382800210 /nfs/dbraw/zinc/80/02/10/382800210.db2.gz DTJRBEBBRZVHMQ-UHFFFAOYSA-N 0 3 277.368 2.827 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)CN(CC)CC ZINC000337639766 382851122 /nfs/dbraw/zinc/85/11/22/382851122.db2.gz WSYABGTVZPEUDK-UHFFFAOYSA-N 0 3 267.417 2.507 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000337445014 382822433 /nfs/dbraw/zinc/82/24/33/382822433.db2.gz ZRGCBFQCEXLVKT-IUODEOHRSA-N 0 3 278.371 2.803 20 30 CFEDHN CCCN(Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000576480542 382824723 /nfs/dbraw/zinc/82/47/23/382824723.db2.gz YDHSBOKOGJMNMG-UHFFFAOYSA-N 0 3 256.353 2.826 20 30 CFEDHN COc1cc(CNCCc2csc(C)n2)ccc1C#N ZINC000226387722 382827767 /nfs/dbraw/zinc/82/77/67/382827767.db2.gz VUAQMPKCEYASER-UHFFFAOYSA-N 0 3 287.388 2.664 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC000337505141 382833661 /nfs/dbraw/zinc/83/36/61/382833661.db2.gz YTLNVPYHXMAJTJ-LBPRGKRZSA-N 0 3 286.366 2.579 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](c2nccn2C)C1 ZINC000578263647 382905788 /nfs/dbraw/zinc/90/57/88/382905788.db2.gz OQEMKDQYCKDVIP-CJNGLKHVSA-N 0 3 280.375 2.842 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCn2ccnc2C1 ZINC000494411890 382912573 /nfs/dbraw/zinc/91/25/73/382912573.db2.gz PBWOZJMBGBMNTH-OAHLLOKOSA-N 0 3 283.375 2.553 20 30 CFEDHN COc1cc(CN[C@H](CO)CC2CCCC2)ccc1C#N ZINC000337790219 382865353 /nfs/dbraw/zinc/86/53/53/382865353.db2.gz CRIFHEHQRSOSMX-INIZCTEOSA-N 0 3 288.391 2.598 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCC2)cc1 ZINC000337799054 382865992 /nfs/dbraw/zinc/86/59/92/382865992.db2.gz HHNZHYXCOQRBDU-INIZCTEOSA-N 0 3 258.365 2.589 20 30 CFEDHN C=CCCOCCN[C@H]1CCCc2ccc(O)cc21 ZINC000231799329 382867027 /nfs/dbraw/zinc/86/70/27/382867027.db2.gz GTUVMVRIJCXRHN-INIZCTEOSA-N 0 3 261.365 2.952 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@H](c3cccnc3)C2)c1 ZINC000577748760 382869875 /nfs/dbraw/zinc/86/98/75/382869875.db2.gz PNXUNPCDICAPMP-KRWDZBQOSA-N 0 3 293.370 2.822 20 30 CFEDHN COc1cc(CN2CCCSCC2)ccc1C#N ZINC000234972625 382875829 /nfs/dbraw/zinc/87/58/29/382875829.db2.gz WMAZLRRIOOAHKT-UHFFFAOYSA-N 0 3 262.378 2.506 20 30 CFEDHN COc1cc(CNCCN(C)c2ccccc2)ccc1C#N ZINC000440804220 382884209 /nfs/dbraw/zinc/88/42/09/382884209.db2.gz WARLVJOZASBLOH-UHFFFAOYSA-N 0 3 295.386 2.793 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000337981418 382887460 /nfs/dbraw/zinc/88/74/60/382887460.db2.gz PVMDYHROAUXJEF-KGLIPLIRSA-N 0 3 299.418 2.859 20 30 CFEDHN C=CCCCCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000578149551 382895485 /nfs/dbraw/zinc/89/54/85/382895485.db2.gz JGJSURJYSGPKCJ-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN C[C@H]1OCC[C@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000494216272 382911729 /nfs/dbraw/zinc/91/17/29/382911729.db2.gz NIUBBCBSLUXADA-DOMZBBRYSA-N 0 3 263.768 2.849 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1)C1CC1 ZINC000338003406 382897186 /nfs/dbraw/zinc/89/71/86/382897186.db2.gz RNLQAVSFJPAIEK-AWEZNQCLSA-N 0 3 299.418 2.903 20 30 CFEDHN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC000533494909 382901347 /nfs/dbraw/zinc/90/13/47/382901347.db2.gz WUMYLIIURKKNLZ-UHFFFAOYSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493775737 382902899 /nfs/dbraw/zinc/90/28/99/382902899.db2.gz AOUMLJRKSLMXQD-STQMWFEESA-N 0 3 268.401 2.798 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H](C4CC4)C3)o2)c1 ZINC000535014175 382942333 /nfs/dbraw/zinc/94/23/33/382942333.db2.gz WQVJHYSQSDYWDI-OAHLLOKOSA-N 0 3 294.358 2.840 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000442670995 382943383 /nfs/dbraw/zinc/94/33/83/382943383.db2.gz JZHYXKUGCGQTRH-IJEWVQPXSA-N 0 3 296.480 2.627 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000442714083 382947767 /nfs/dbraw/zinc/94/77/67/382947767.db2.gz KRPYMZDKTSQCGX-PWSUYJOCSA-N 0 3 299.296 2.805 20 30 CFEDHN CCN(CC)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000442721847 382949660 /nfs/dbraw/zinc/94/96/60/382949660.db2.gz WBDDOVIHISCVBK-HIFRSBDPSA-N 0 3 272.396 2.710 20 30 CFEDHN CCN(C)c1ccc(CNCc2ccc(CC#N)cc2)cn1 ZINC000578747998 382950245 /nfs/dbraw/zinc/95/02/45/382950245.db2.gz CCHSAYCCUIRMMB-UHFFFAOYSA-N 0 3 294.402 2.894 20 30 CFEDHN Cc1cc(C)cc(OCCN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442765364 382953051 /nfs/dbraw/zinc/95/30/51/382953051.db2.gz JJUBWTXZEYAGQF-HUUCEWRRSA-N 0 3 258.365 2.964 20 30 CFEDHN C=CCOc1ccccc1CN(C)C1CCOCC1 ZINC000535804286 382954863 /nfs/dbraw/zinc/95/48/63/382954863.db2.gz DPCVOHUCTLLLFS-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cccc(-n3ccnc3)c2)C1 ZINC000442785306 382956894 /nfs/dbraw/zinc/95/68/94/382956894.db2.gz VGDZXEHZUUJSBX-DZGCQCFKSA-N 0 3 266.348 2.654 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000442818989 382959285 /nfs/dbraw/zinc/95/92/85/382959285.db2.gz AHXDRUOJYSQMPY-PWSUYJOCSA-N 0 3 299.296 2.761 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442827837 382960204 /nfs/dbraw/zinc/96/02/04/382960204.db2.gz ORVFVCKGPBBVSE-KBMXLJTQSA-N 0 3 258.365 2.564 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000539051515 382960386 /nfs/dbraw/zinc/96/03/86/382960386.db2.gz LMLMSSONXLITLR-CYBMUJFWSA-N 0 3 288.391 2.815 20 30 CFEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000442854690 382960953 /nfs/dbraw/zinc/96/09/53/382960953.db2.gz LGECMKFTXQVHHM-QWRGUYRKSA-N 0 3 266.291 2.625 20 30 CFEDHN C=C(C)COCCN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000494593603 382914785 /nfs/dbraw/zinc/91/47/85/382914785.db2.gz YKHWLOIPWIWQHL-GDBMZVCRSA-N 0 3 263.381 2.945 20 30 CFEDHN CC#CCN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578403547 382917388 /nfs/dbraw/zinc/91/73/88/382917388.db2.gz JRTXLULGFZPRGM-LSDHHAIUSA-N 0 3 280.774 2.837 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000338087176 382918905 /nfs/dbraw/zinc/91/89/05/382918905.db2.gz FVSATNBQYOCKFR-UHFFFAOYSA-N 0 3 299.418 2.861 20 30 CFEDHN C=CC[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495118759 382962674 /nfs/dbraw/zinc/96/26/74/382962674.db2.gz DEJDAXDTWRMLPC-NVXWUHKLSA-N 0 3 284.403 2.699 20 30 CFEDHN CCN(CCNCc1cccc(C#N)c1)CCC(F)(F)F ZINC000494841784 382934051 /nfs/dbraw/zinc/93/40/51/382934051.db2.gz HFNDMGLISSYRMX-UHFFFAOYSA-N 0 3 299.340 2.922 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000543748072 382972310 /nfs/dbraw/zinc/97/23/10/382972310.db2.gz JCPQYSCVQYZKGA-HUUCEWRRSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000545253609 382976938 /nfs/dbraw/zinc/97/69/38/382976938.db2.gz JPFPIUWSUKYSPZ-CQSZACIVSA-N 0 3 281.444 2.857 20 30 CFEDHN C[C@@H]1[C@H](C)N(C)CCN1CCCCC(C)(C)C#N ZINC000444687619 382977981 /nfs/dbraw/zinc/97/79/81/382977981.db2.gz GZGVKRNQUJMXML-UONOGXRCSA-N 0 3 251.418 2.731 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000444758958 382981048 /nfs/dbraw/zinc/98/10/48/382981048.db2.gz HNOIVAFHZXHWNL-HUUCEWRRSA-N 0 3 268.445 2.508 20 30 CFEDHN C=CCCC[C@H](C)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444794498 382982269 /nfs/dbraw/zinc/98/22/69/382982269.db2.gz KEFSCGZGOHPHTO-UONOGXRCSA-N 0 3 273.442 2.630 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCCC(C)(C)C1 ZINC000446067192 382987070 /nfs/dbraw/zinc/98/70/70/382987070.db2.gz ABIYPXNDQZVQPL-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OCC2CC2)c1 ZINC000446529786 382989365 /nfs/dbraw/zinc/98/93/65/382989365.db2.gz FQNRNCIBVQIUKH-GFCCVEGCSA-N 0 3 272.348 2.560 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C(C)C)C1 ZINC000446735642 382990873 /nfs/dbraw/zinc/99/08/73/382990873.db2.gz PLOCRETWVQDTDF-GJZGRUSLSA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@H](C(=O)Nc1ccc(CC#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000245200848 382996208 /nfs/dbraw/zinc/99/62/08/382996208.db2.gz DGSWMEVMJNRPNI-HZSPNIEDSA-N 0 3 285.391 2.952 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447717255 383000553 /nfs/dbraw/zinc/00/05/53/383000553.db2.gz DLAZTLRSAMCBHZ-QUBYGPBYSA-N 0 3 274.217 2.547 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@](C)(CC)C1 ZINC000245451433 383000890 /nfs/dbraw/zinc/00/08/90/383000890.db2.gz PNODUBXBMMBIBS-GDBMZVCRSA-N 0 3 279.428 2.507 20 30 CFEDHN CCC[C@]1(C)CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000245456250 383001797 /nfs/dbraw/zinc/00/17/97/383001797.db2.gz SYRQDJXTPDBJKL-NVXWUHKLSA-N 0 3 293.455 2.897 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495728897 383018106 /nfs/dbraw/zinc/01/81/06/383018106.db2.gz NBFRBDJTLXLCQU-AAVRWANBSA-N 0 3 293.411 2.524 20 30 CFEDHN CN(CCC(=O)Nc1ccc(CC#N)cc1)c1ccncc1 ZINC000541857148 382966606 /nfs/dbraw/zinc/96/66/06/382966606.db2.gz NFAKUBSRVYCBQF-UHFFFAOYSA-N 0 3 294.358 2.613 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000443315110 382966914 /nfs/dbraw/zinc/96/69/14/382966914.db2.gz BZRDXPWZORRQOI-KEYYUXOJSA-N 0 3 275.367 2.659 20 30 CFEDHN C[C@@H]1CCN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443509289 382967531 /nfs/dbraw/zinc/96/75/31/382967531.db2.gz ILDRLVNDNJXFHF-SNVBAGLBSA-N 0 3 298.312 2.502 20 30 CFEDHN N#CCCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000338728504 383030918 /nfs/dbraw/zinc/03/09/18/383030918.db2.gz NQNOESMJHQZZMJ-UHFFFAOYSA-N 0 3 280.375 2.924 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000245877728 383043017 /nfs/dbraw/zinc/04/30/17/383043017.db2.gz ZNJWHEUCOHECML-OWCLPIDISA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496008162 383053989 /nfs/dbraw/zinc/05/39/89/383053989.db2.gz SSVKWMGLXFNQEF-LBPRGKRZSA-N 0 3 260.337 2.822 20 30 CFEDHN CC[C@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246156167 383064770 /nfs/dbraw/zinc/06/47/70/383064770.db2.gz GXYUEQOISWFVMU-GOEBONIOSA-N 0 3 279.428 2.695 20 30 CFEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246272719 383070745 /nfs/dbraw/zinc/07/07/45/383070745.db2.gz MMSFUXCFVFDBHU-WMLDXEAASA-N 0 3 293.455 2.941 20 30 CFEDHN CCN(C[C@@H](C)C#N)C[C@H](C)CN(CC)C[C@H](C)C#N ZINC000246360172 383073246 /nfs/dbraw/zinc/07/32/46/383073246.db2.gz KRKBHHDFSQHUQB-MUJYYYPQSA-N 0 3 278.444 2.586 20 30 CFEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246369310 383074029 /nfs/dbraw/zinc/07/40/29/383074029.db2.gz YHLWUUNVVBRUQD-WMLDXEAASA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000579995460 383074964 /nfs/dbraw/zinc/07/49/64/383074964.db2.gz MCCQCUKCICPUFK-DCAQKATOSA-N 0 3 262.740 2.862 20 30 CFEDHN CC(C)(C#N)CCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496205446 383075617 /nfs/dbraw/zinc/07/56/17/383075617.db2.gz KKSWIYNWRKYWPQ-CQSZACIVSA-N 0 3 293.411 2.669 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@H]1C(=O)OC(C)(C)C ZINC000579468424 383019543 /nfs/dbraw/zinc/01/95/43/383019543.db2.gz BYCHGYOEXINXON-LXTVHRRPSA-N 0 3 292.423 2.978 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496606732 383121374 /nfs/dbraw/zinc/12/13/74/383121374.db2.gz SZGMHULFBAVFHM-MCIONIFRSA-N 0 3 295.427 2.914 20 30 CFEDHN CC(C)(C)OC(=O)NCC[C@H]1CCCN(CCCC#N)C1 ZINC000496647605 383122220 /nfs/dbraw/zinc/12/22/20/383122220.db2.gz RFRCYWNVPCKXAV-CQSZACIVSA-N 0 3 295.427 2.917 20 30 CFEDHN C=C(C)CN(CC)Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449000861 383126374 /nfs/dbraw/zinc/12/63/74/383126374.db2.gz ATAIJOVNRAJWKI-UHFFFAOYSA-N 0 3 264.369 2.898 20 30 CFEDHN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CCCC#N ZINC000496944213 383127145 /nfs/dbraw/zinc/12/71/45/383127145.db2.gz NMNRPBLZVWJWIC-ZDUSSCGKSA-N 0 3 287.363 2.940 20 30 CFEDHN C=C(Cl)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246972243 383127269 /nfs/dbraw/zinc/12/72/69/383127269.db2.gz VMOHTOQKMRRLDG-GXTWGEPZSA-N 0 3 254.805 2.688 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507500539 383146189 /nfs/dbraw/zinc/14/61/89/383146189.db2.gz JFKVAEKEUJZQRC-QILLFSRXSA-N 0 3 299.418 2.878 20 30 CFEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CC1 ZINC000497085738 383129677 /nfs/dbraw/zinc/12/96/77/383129677.db2.gz VYKBZDOVCJSOMQ-CHWSQXEVSA-N 0 3 293.411 2.525 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC(Cc2cccs2)C1 ZINC000601961829 383130287 /nfs/dbraw/zinc/13/02/87/383130287.db2.gz ALZUBTJAQBCZDW-CYBMUJFWSA-N 0 3 278.421 2.523 20 30 CFEDHN C=CCCN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000499887890 383136290 /nfs/dbraw/zinc/13/62/90/383136290.db2.gz PLGRVPHLJXPAPF-UHFFFAOYSA-N 0 3 294.826 2.913 20 30 CFEDHN C=CCN1CC[C@H](N[C@@]2(c3cccc(C)c3)C[C@@H]2CC)C1=O ZINC000502545436 383138819 /nfs/dbraw/zinc/13/88/19/383138819.db2.gz XQHPFQKZXLLLHU-IEZWGBDMSA-N 0 3 298.430 2.997 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](COCC)C1 ZINC000247077327 383140395 /nfs/dbraw/zinc/14/03/95/383140395.db2.gz VLWMHFDUJQOLIH-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N(CCC)CCN1CCCC1 ZINC000503913091 383140625 /nfs/dbraw/zinc/14/06/25/383140625.db2.gz VDUYFBVGKRVBKJ-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC000246610237 383086459 /nfs/dbraw/zinc/08/64/59/383086459.db2.gz JJROGIDBKSSNMA-JKSUJKDBSA-N 0 3 256.349 2.559 20 30 CFEDHN C=CCCCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000583303600 383088975 /nfs/dbraw/zinc/08/89/75/383088975.db2.gz JVWFUTXELBXXOA-IHRRRGAJSA-N 0 3 251.370 2.616 20 30 CFEDHN N#CCCC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000584348931 383097131 /nfs/dbraw/zinc/09/71/31/383097131.db2.gz SOXPKONIYZZELP-UHFFFAOYSA-N 0 3 286.379 2.575 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000448920180 383107410 /nfs/dbraw/zinc/10/74/10/383107410.db2.gz GEXZWSMDTCWDIW-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN Cc1nnc(NC[C@@H](C)N2CCCC[C@H]2C)c(C#N)c1C ZINC000339000712 383114450 /nfs/dbraw/zinc/11/44/50/383114450.db2.gz CUMDOWDFMVEGCH-VXGBXAGGSA-N 0 3 287.411 2.640 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000247115618 383145332 /nfs/dbraw/zinc/14/53/32/383145332.db2.gz YPNAGGONYTZDPT-YQQAZPJKSA-N 0 3 286.419 2.803 20 30 CFEDHN CC#CCCN1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000564916828 383174592 /nfs/dbraw/zinc/17/45/92/383174592.db2.gz UMXKIUOVBOKREC-KGLIPLIRSA-N 0 3 265.397 2.700 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(OC)cc1F ZINC000565084509 383175824 /nfs/dbraw/zinc/17/58/24/383175824.db2.gz WNCXTGJJPXVSLN-XJKSGUPXSA-N 0 3 279.355 2.905 20 30 CFEDHN C=CCOCCN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000339196238 383183182 /nfs/dbraw/zinc/18/31/82/383183182.db2.gz UECGFXGAIQHGBF-OAHLLOKOSA-N 0 3 291.391 2.741 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000339206558 383183856 /nfs/dbraw/zinc/18/38/56/383183856.db2.gz VRDSOUJAIZHENG-IRXDYDNUSA-N 0 3 283.375 2.699 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[C@@H](C#N)C1)CC2 ZINC000424337716 383203960 /nfs/dbraw/zinc/20/39/60/383203960.db2.gz ZWGXAHARUADHNC-DIOULYMOSA-N 0 3 251.333 2.827 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1CCCC[C@H]1C ZINC000424603223 383208629 /nfs/dbraw/zinc/20/86/29/383208629.db2.gz ZUSYEVZKKJGVGN-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000555338017 383147968 /nfs/dbraw/zinc/14/79/68/383147968.db2.gz WOJUKKMGULTRHD-QGZVFWFLSA-N 0 3 296.455 2.548 20 30 CFEDHN CC#CCN[C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000556886679 383153369 /nfs/dbraw/zinc/15/33/69/383153369.db2.gz SDKLGNJEBWERRJ-GVDBMIGSSA-N 0 3 257.377 2.951 20 30 CFEDHN Cc1noc(C[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc2)n1 ZINC000514708333 383154541 /nfs/dbraw/zinc/15/45/41/383154541.db2.gz UMJZUVWKRHWWMO-BMFZPTHFSA-N 0 3 296.374 2.944 20 30 CFEDHN COCC[C@H](Cc1cccc(F)c1)NCC1(C#N)CC1 ZINC000515029848 383157863 /nfs/dbraw/zinc/15/78/63/383157863.db2.gz BTPGOVCDNHVYMQ-OAHLLOKOSA-N 0 3 276.355 2.667 20 30 CFEDHN C=CCCCCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000562539685 383160185 /nfs/dbraw/zinc/16/01/85/383160185.db2.gz SFKLFTLUWOURHT-CQSZACIVSA-N 0 3 273.442 2.632 20 30 CFEDHN C=CCOCCN[C@H](c1ccccc1)C(C)(C)CO ZINC000339131757 383160684 /nfs/dbraw/zinc/16/06/84/383160684.db2.gz VRPISFGWAHJZFJ-OAHLLOKOSA-N 0 3 263.381 2.538 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCCc2ccccc21 ZINC000516046494 383162309 /nfs/dbraw/zinc/16/23/09/383162309.db2.gz MNWCPYHJIXUBLC-HOTGVXAUSA-N 0 3 285.391 2.544 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC000516312761 383164277 /nfs/dbraw/zinc/16/42/77/383164277.db2.gz KAFISSCCNYWECV-NVXWUHKLSA-N 0 3 286.419 2.632 20 30 CFEDHN CCCN(CC(=O)NC1(C#N)CCCCC1)CC(C)C ZINC000520172751 383248954 /nfs/dbraw/zinc/24/89/54/383248954.db2.gz XTMVGSTXLMGAGV-UHFFFAOYSA-N 0 3 279.428 2.697 20 30 CFEDHN Cn1cc(CN[C@H]2CCC[C@@H]2F)c(-c2ccc(C#N)cc2)n1 ZINC000339584530 383253448 /nfs/dbraw/zinc/25/34/48/383253448.db2.gz NFPXSZJXDWQWJX-HOTGVXAUSA-N 0 3 298.365 2.939 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339613920 383262507 /nfs/dbraw/zinc/26/25/07/383262507.db2.gz HCKZIFSRDFIUDP-MGPQQGTHSA-N 0 3 257.381 2.644 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000424810886 383267438 /nfs/dbraw/zinc/26/74/38/383267438.db2.gz OFCAFRVWXNPAGG-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2cccnc2)C1 ZINC000567382770 383269307 /nfs/dbraw/zinc/26/93/07/383269307.db2.gz XJIRNDLGMXAVGM-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC12CC2 ZINC000567453214 383275600 /nfs/dbraw/zinc/27/56/00/383275600.db2.gz WMWCNXMGZYEVNQ-CABCVRRESA-N 0 3 268.360 2.675 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000424847463 383278367 /nfs/dbraw/zinc/27/83/67/383278367.db2.gz NIWTXAHCSPMIOU-SOUVJXGZSA-N 0 3 278.440 2.777 20 30 CFEDHN N#Cc1csc(CNCCc2cnc(C3CC3)nc2)c1 ZINC000339501079 383219455 /nfs/dbraw/zinc/21/94/55/383219455.db2.gz CJQCDUVPMSCXFN-UHFFFAOYSA-N 0 3 284.388 2.619 20 30 CFEDHN CN(CCCN(C)Cc1ccc(C#N)cn1)Cc1ccco1 ZINC000566923549 383224971 /nfs/dbraw/zinc/22/49/71/383224971.db2.gz LNGNBOOVITUCNZ-UHFFFAOYSA-N 0 3 298.390 2.500 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339670338 383279885 /nfs/dbraw/zinc/27/98/85/383279885.db2.gz BGOCOSAIHKRZHP-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567111529 383242097 /nfs/dbraw/zinc/24/20/97/383242097.db2.gz FZIVFBQAJOHSQU-AWEZNQCLSA-N 0 3 283.379 2.611 20 30 CFEDHN C=CCCC(C)(C)CN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000634576678 383242626 /nfs/dbraw/zinc/24/26/26/383242626.db2.gz XQBJYSMMXJSKCO-OAHLLOKOSA-N 0 3 292.398 2.804 20 30 CFEDHN C=CCCC(C)(C)CN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000634576672 383242720 /nfs/dbraw/zinc/24/27/20/383242720.db2.gz XNLFWJXGSATMSC-CQSZACIVSA-N 0 3 278.371 2.934 20 30 CFEDHN CCO[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000449490708 383329130 /nfs/dbraw/zinc/32/91/30/383329130.db2.gz CLTAKDJNJZDNLH-BBRMVZONSA-N 0 3 258.365 2.805 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000339820792 383329683 /nfs/dbraw/zinc/32/96/83/383329683.db2.gz LQMGMLXJAKCOBA-JKSUJKDBSA-N 0 3 296.455 2.546 20 30 CFEDHN N#Cc1cccc([N+](=O)[O-])c1NCCN1CCCCCC1 ZINC000425207113 383340159 /nfs/dbraw/zinc/34/01/59/383340159.db2.gz MJKFGEDQSSSKHG-UHFFFAOYSA-N 0 3 288.351 2.754 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000249327196 383340328 /nfs/dbraw/zinc/34/03/28/383340328.db2.gz NTDBNXGRYOCGDA-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN CCO[C@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000449504926 383341120 /nfs/dbraw/zinc/34/11/20/383341120.db2.gz YUGKYSJGROQWRC-RISCZKNCSA-N 0 3 264.394 2.867 20 30 CFEDHN Cc1ccc([C@@H](CNc2cc(C)ncc2C#N)N(C)C)cc1 ZINC000425217246 383341996 /nfs/dbraw/zinc/34/19/96/383341996.db2.gz UHVJJGCMFTZQBM-GOSISDBHSA-N 0 3 294.402 2.707 20 30 CFEDHN CC[C@@H](C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743103 383287266 /nfs/dbraw/zinc/28/72/66/383287266.db2.gz MNMPUTMESHMXAH-CJNGLKHVSA-N 0 3 285.391 2.784 20 30 CFEDHN CC(C)[C@@]1(CO)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000339703688 383292816 /nfs/dbraw/zinc/29/28/16/383292816.db2.gz UUPRRSZAMSFFOA-KRWDZBQOSA-N 0 3 290.382 2.928 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)CCCC)CC1 ZINC000460271788 383298920 /nfs/dbraw/zinc/29/89/20/383298920.db2.gz ZLFACEBITVVTTQ-CQSZACIVSA-N 0 3 281.444 2.857 20 30 CFEDHN CC#CCN(C)Cc1ccc(O)c2nc(C)ccc12 ZINC000339766612 383310226 /nfs/dbraw/zinc/31/02/26/383310226.db2.gz RMYPNJASTMVIGW-UHFFFAOYSA-N 0 3 254.333 2.704 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000449468773 383312207 /nfs/dbraw/zinc/31/22/07/383312207.db2.gz LLASTJUKYHRRHX-RRFJBIMHSA-N 0 3 276.405 2.745 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000449468774 383312434 /nfs/dbraw/zinc/31/24/34/383312434.db2.gz LLASTJUKYHRRHX-ZNMIVQPWSA-N 0 3 276.405 2.745 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425065364 383316207 /nfs/dbraw/zinc/31/62/07/383316207.db2.gz LDMDVUUNDPAXLW-RCCFBDPRSA-N 0 3 298.430 2.899 20 30 CFEDHN C=C(C)CCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000449480194 383321978 /nfs/dbraw/zinc/32/19/78/383321978.db2.gz XSTQRBLSZFLGRG-UHFFFAOYSA-N 0 3 291.317 2.725 20 30 CFEDHN C=CC(C)(C)CNCc1nccn1CC(F)(F)F ZINC000449483852 383323751 /nfs/dbraw/zinc/32/37/51/383323751.db2.gz CSWRKYWRWIDWFZ-UHFFFAOYSA-N 0 3 261.291 2.747 20 30 CFEDHN C=CC(C)(C)CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000449485070 383325078 /nfs/dbraw/zinc/32/50/78/383325078.db2.gz KRORPWDBILTQQV-CYBMUJFWSA-N 0 3 281.421 2.651 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000249094066 383325383 /nfs/dbraw/zinc/32/53/83/383325383.db2.gz FDJQLGDHZGLAES-KBPBESRZSA-N 0 3 285.391 2.597 20 30 CFEDHN CO[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[C@H]1C ZINC000251615608 383390760 /nfs/dbraw/zinc/39/07/60/383390760.db2.gz GIQVTILMSNIAHM-DVOMOZLQSA-N 0 3 258.365 2.976 20 30 CFEDHN N#CCCN(C(=O)CN1CC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000426465799 383401114 /nfs/dbraw/zinc/40/11/14/383401114.db2.gz CFKRUQAFMFHRHR-NVXWUHKLSA-N 0 3 297.402 2.808 20 30 CFEDHN N#CC(C(=O)c1cccc(C2CC2)c1)c1ccncn1 ZINC000568412527 383401581 /nfs/dbraw/zinc/40/15/81/383401581.db2.gz XLDGKMQLFWPWEF-AWEZNQCLSA-N 0 3 263.300 2.844 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000449516698 383350386 /nfs/dbraw/zinc/35/03/86/383350386.db2.gz BTYJYYYAVWZHTH-YUELXQCFSA-N 0 3 289.375 2.842 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(F)F)c(F)c1 ZINC000449520446 383352746 /nfs/dbraw/zinc/35/27/46/383352746.db2.gz PNUDOFAXOWPQRO-NEPJUHHUSA-N 0 3 287.281 2.860 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2COCC2(C)C)cc1OC ZINC000449618841 383357790 /nfs/dbraw/zinc/35/77/90/383357790.db2.gz LZAHQKGJGCXBDD-MRXNPFEDSA-N 0 3 291.391 2.775 20 30 CFEDHN C=C(CC)CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000449737641 383363676 /nfs/dbraw/zinc/36/36/76/383363676.db2.gz ZIAQBURAURBOIE-UHFFFAOYSA-N 0 3 299.374 2.904 20 30 CFEDHN C=CC[C@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449886107 383369453 /nfs/dbraw/zinc/36/94/53/383369453.db2.gz GSWTYYYVSRMVHD-DZGCQCFKSA-N 0 3 264.413 2.864 20 30 CFEDHN C=CC[C@@H](C)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449886109 383370195 /nfs/dbraw/zinc/37/01/95/383370195.db2.gz GSWTYYYVSRMVHD-UKRRQHHQSA-N 0 3 264.413 2.864 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000568185489 383370448 /nfs/dbraw/zinc/37/04/48/383370448.db2.gz ABNSLPVPHFXBDA-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN CC(C)[C@@H]1CN(C)CCN1CC#Cc1ccccc1Cl ZINC000425484696 383381330 /nfs/dbraw/zinc/38/13/30/383381330.db2.gz SSSSFNXLKZEHJH-KRWDZBQOSA-N 0 3 290.838 2.964 20 30 CFEDHN N#CC1(CCN2CCC[C@@H](n3ccnn3)C2)CCCCC1 ZINC000425518636 383382538 /nfs/dbraw/zinc/38/25/38/383382538.db2.gz VXPKULCCUJMRJB-OAHLLOKOSA-N 0 3 287.411 2.779 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425532255 383383626 /nfs/dbraw/zinc/38/36/26/383383626.db2.gz IVYIZOLRDOZWTG-CJNGLKHVSA-N 0 3 258.365 2.878 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@](C)(CC)CCC)CC1 ZINC000475648651 383387117 /nfs/dbraw/zinc/38/71/17/383387117.db2.gz HWFWCGQTSQSOIW-MRXNPFEDSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088778 383442987 /nfs/dbraw/zinc/44/29/87/383442987.db2.gz FYBDXSLDBZATBN-UPJWGTAASA-N 0 3 288.229 2.911 20 30 CFEDHN C=CCCCCCN1CCC[C@H](NC(=O)CC)C1 ZINC000487871899 383482376 /nfs/dbraw/zinc/48/23/76/383482376.db2.gz NKNPJRLLOBXTGJ-AWEZNQCLSA-N 0 3 252.402 2.723 20 30 CFEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccncc1F ZINC000340528633 383459854 /nfs/dbraw/zinc/45/98/54/383459854.db2.gz BILCZXWXQUVTEW-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCC2(C#N)CCC2)C1 ZINC000450561960 383462536 /nfs/dbraw/zinc/46/25/36/383462536.db2.gz GMKMSZZLVCMNAI-CZUORRHYSA-N 0 3 264.413 2.847 20 30 CFEDHN CC(C)CCN(CCC(C)C)CC(=O)NC1(C#N)CCC1 ZINC000527377831 383469358 /nfs/dbraw/zinc/46/93/58/383469358.db2.gz NMAILNXFOWQVCX-UHFFFAOYSA-N 0 3 293.455 2.943 20 30 CFEDHN C=CCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000487933449 383482980 /nfs/dbraw/zinc/48/29/80/383482980.db2.gz MQOLVWLSWJQLMZ-GOEBONIOSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000487933448 383483248 /nfs/dbraw/zinc/48/32/48/383483248.db2.gz MQOLVWLSWJQLMZ-GDBMZVCRSA-N 0 3 287.407 2.649 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccc(C)o2)CC1 ZINC000255034615 383474231 /nfs/dbraw/zinc/47/42/31/383474231.db2.gz UZMIFUOMMPQFNB-SREVYHEPSA-N 0 3 288.391 2.758 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cc(Br)cs1 ZINC000289952045 197539460 /nfs/dbraw/zinc/53/94/60/197539460.db2.gz WLNPLJHLVUOIAW-IONNQARKSA-N 0 3 276.199 2.708 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@H](c3ccncc3)C2)cc1 ZINC000569918065 383549576 /nfs/dbraw/zinc/54/95/76/383549576.db2.gz MMCLXSGUZDYFRN-KRWDZBQOSA-N 0 3 293.370 2.822 20 30 CFEDHN CC(C#N)C(=O)NCCCCCc1ccc(F)cc1 ZINC000428632920 383497671 /nfs/dbraw/zinc/49/76/71/383497671.db2.gz YWRGCRXFZFVBGF-GFCCVEGCSA-N 0 3 262.328 2.814 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1F ZINC000340898259 383498691 /nfs/dbraw/zinc/49/86/91/383498691.db2.gz HBJADYODWVFDLG-ZNMIVQPWSA-N 0 3 274.339 2.766 20 30 CFEDHN C=CCNC(=O)CN(C(C)C)[C@@H](C)c1ccccc1 ZINC000428841921 383499196 /nfs/dbraw/zinc/49/91/96/383499196.db2.gz RCEBGONMTIRSCX-AWEZNQCLSA-N 0 3 260.381 2.760 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488160608 383501513 /nfs/dbraw/zinc/50/15/13/383501513.db2.gz IPTCGNHGVZFUAN-HUUCEWRRSA-N 0 3 271.408 2.781 20 30 CFEDHN N#CCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000260498434 383506517 /nfs/dbraw/zinc/50/65/17/383506517.db2.gz LLJAVAYFJBCJIH-UHFFFAOYSA-N 0 3 259.309 2.720 20 30 CFEDHN Cc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)ccc1C#N ZINC000488259515 383509750 /nfs/dbraw/zinc/50/97/50/383509750.db2.gz DUWYDOFZPHYHJK-IAGOWNOFSA-N 0 3 270.376 2.914 20 30 CFEDHN CCC1(CC)[C@H](NCC2(C#N)CC2)[C@H](C)[C@H]1OC ZINC000429283712 383510598 /nfs/dbraw/zinc/51/05/98/383510598.db2.gz HZLGKOFMRMFPLL-YNEHKIRRSA-N 0 3 250.386 2.719 20 30 CFEDHN C=CCCCN(C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528392085 383515679 /nfs/dbraw/zinc/51/56/79/383515679.db2.gz ZMLWMWKONWTGEO-HNNXBMFYSA-N 0 3 264.413 2.818 20 30 CFEDHN CCO[C@H]1C[C@H](NCC2(C#N)CC2)C1(CC)CC ZINC000429356724 383523065 /nfs/dbraw/zinc/52/30/65/383523065.db2.gz UQVUVXIMUWZCJY-STQMWFEESA-N 0 3 250.386 2.864 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)Cc1cccc(C#N)c1 ZINC000569682554 383526848 /nfs/dbraw/zinc/52/68/48/383526848.db2.gz AIWLPPKHCBHBOG-UHFFFAOYSA-N 0 3 293.370 2.801 20 30 CFEDHN COc1cc(CN2CC[C@@H](c3cccnc3)C2)ccc1C#N ZINC000569724749 383531695 /nfs/dbraw/zinc/53/16/95/383531695.db2.gz HRACRWKWHRSMHX-QGZVFWFLSA-N 0 3 293.370 2.951 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2cccc(F)c2)CC1 ZINC000528574076 383581498 /nfs/dbraw/zinc/58/14/98/383581498.db2.gz IVIPRHZREFATEI-HNNXBMFYSA-N 0 3 293.382 2.996 20 30 CFEDHN COCCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000528572519 383581576 /nfs/dbraw/zinc/58/15/76/383581576.db2.gz DAOJFFDLQYANGC-UHFFFAOYSA-N 0 3 288.391 2.686 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430268225 383592577 /nfs/dbraw/zinc/59/25/77/383592577.db2.gz MGNRAXOKPGOGDR-HIFRSBDPSA-N 0 3 264.413 2.698 20 30 CFEDHN Cc1cc2ncc([C@@H](C)NCC3(CC#N)CC3)c(C)n2n1 ZINC000430743753 383597699 /nfs/dbraw/zinc/59/76/99/383597699.db2.gz PXKMDLFZZPNQTB-GFCCVEGCSA-N 0 3 283.379 2.691 20 30 CFEDHN CC(C)CCO[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000429700452 383561126 /nfs/dbraw/zinc/56/11/26/383561126.db2.gz QZIMEUZQLQETIJ-SOUVJXGZSA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccncc1Cl ZINC000429715374 383562712 /nfs/dbraw/zinc/56/27/12/383562712.db2.gz NNFLJEDQERRENX-UHFFFAOYSA-N 0 3 267.804 2.675 20 30 CFEDHN CCCN(CCCC(C)(C)C#N)[C@@H](C)C(=O)OCC ZINC000429729273 383563533 /nfs/dbraw/zinc/56/35/33/383563533.db2.gz XARHKEVWRWVUPL-ZDUSSCGKSA-N 0 3 268.401 2.980 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)C(C)(C)CO ZINC000429728145 383563677 /nfs/dbraw/zinc/56/36/77/383563677.db2.gz YHPUCDLTDDIESJ-HZPDHXFCSA-N 0 3 277.408 2.663 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccn(-c2ccccc2)n1 ZINC000429725387 383563949 /nfs/dbraw/zinc/56/39/49/383563949.db2.gz OZYZEXBUJBCJMZ-UHFFFAOYSA-N 0 3 298.434 2.812 20 30 CFEDHN CCCN(CCCC(C)(C)C#N)[C@H](C)C(=O)OCC ZINC000429729271 383564202 /nfs/dbraw/zinc/56/42/02/383564202.db2.gz XARHKEVWRWVUPL-CYBMUJFWSA-N 0 3 268.401 2.980 20 30 CFEDHN CC1(C)CCCN1CCNc1c(C#N)cccc1C#N ZINC000450952688 383566392 /nfs/dbraw/zinc/56/63/92/383566392.db2.gz VGNFJHFPHCHUTD-UHFFFAOYSA-N 0 3 268.364 2.716 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000451585859 383652221 /nfs/dbraw/zinc/65/22/21/383652221.db2.gz FJTQVEFCNIDPIQ-WBVHZDCISA-N 0 3 288.366 2.584 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@H]2CCO[C@@H]21 ZINC000451464711 383621198 /nfs/dbraw/zinc/62/11/98/383621198.db2.gz FXULCNFBIMIZOF-DFBGVHRSSA-N 0 3 274.339 2.600 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(F)cc2C#N)[C@H]2CCO[C@@H]21 ZINC000451465497 383622022 /nfs/dbraw/zinc/62/20/22/383622022.db2.gz POOQPFMAUXKFIN-KFWWJZLASA-N 0 3 274.339 2.600 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451490993 383626507 /nfs/dbraw/zinc/62/65/07/383626507.db2.gz DURJUQXFGXBJRV-BZUAXINKSA-N 0 3 286.350 2.745 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451497600 383628414 /nfs/dbraw/zinc/62/84/14/383628414.db2.gz WGGMJMJZOVOFLI-APHBMKBZSA-N 0 3 286.350 2.745 20 30 CFEDHN C[C@@H]1C[C@@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222362 383756209 /nfs/dbraw/zinc/75/62/09/383756209.db2.gz YLORTSKMODUPMQ-VHDGCEQUSA-N 0 3 256.349 2.531 20 30 CFEDHN Cc1csc(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000433236704 383757203 /nfs/dbraw/zinc/75/72/03/383757203.db2.gz ZYYOHKWXOMVALB-AWEZNQCLSA-N 0 3 299.399 2.840 20 30 CFEDHN CC(C#N)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000530084056 383764477 /nfs/dbraw/zinc/76/44/77/383764477.db2.gz XDNCUIKQFYVTQC-VIFPVBQESA-N 0 3 282.265 2.750 20 30 CFEDHN CC(C#N)C(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000530084055 383764731 /nfs/dbraw/zinc/76/47/31/383764731.db2.gz XDNCUIKQFYVTQC-SECBINFHSA-N 0 3 282.265 2.750 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433961596 383765217 /nfs/dbraw/zinc/76/52/17/383765217.db2.gz VISRKGJDOFRDFS-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C1(CC)CC ZINC000434343011 383768884 /nfs/dbraw/zinc/76/88/84/383768884.db2.gz TUAAGVWXYIPISV-FRRDWIJNSA-N 0 3 266.385 2.588 20 30 CFEDHN CC(C#N)C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000434566290 383769814 /nfs/dbraw/zinc/76/98/14/383769814.db2.gz MSLRJSDVVPYWKQ-GFCCVEGCSA-N 0 3 299.399 2.704 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC2(C1)CCCCC2 ZINC000530334436 383770529 /nfs/dbraw/zinc/77/05/29/383770529.db2.gz RFEBHYGFESLMLG-AWEZNQCLSA-N 0 3 289.423 2.594 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1c(F)ccc2F ZINC000451607888 383666148 /nfs/dbraw/zinc/66/61/48/383666148.db2.gz LXXHZMBJXRGPOO-RDBSUJKOSA-N 0 3 265.303 2.885 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000435740474 383778697 /nfs/dbraw/zinc/77/86/97/383778697.db2.gz KJEJKHQPJLKHMW-MLGOLLRUSA-N 0 3 287.363 2.741 20 30 CFEDHN N#Cc1cccc(OCCN2CCSC[C@H]2C2CC2)c1 ZINC000451645547 383673835 /nfs/dbraw/zinc/67/38/35/383673835.db2.gz FCBXOJLCTBOKKU-INIZCTEOSA-N 0 3 288.416 2.764 20 30 CFEDHN CN(Cc1ccc(OCC#N)cc1)[C@H](CO)c1ccccc1 ZINC000264947930 383806657 /nfs/dbraw/zinc/80/66/57/383806657.db2.gz AKRCYKNXQRHFRV-GOSISDBHSA-N 0 3 296.370 2.754 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000264832644 383788003 /nfs/dbraw/zinc/78/80/03/383788003.db2.gz ZMMZWGDBIFECOV-DLBZAZTESA-N 0 3 299.418 2.563 20 30 CFEDHN C=CC[C@@H](CC)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000280984531 195058368 /nfs/dbraw/zinc/05/83/68/195058368.db2.gz IPINUDKZSWRZME-GDBMZVCRSA-N 0 3 272.392 2.951 20 30 CFEDHN N#CCc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000572544899 383792848 /nfs/dbraw/zinc/79/28/48/383792848.db2.gz XDNLGIOPHFJZIU-ZDUSSCGKSA-N 0 3 266.291 2.566 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCC2(C#N)CC2)C1 ZINC000572580420 383794898 /nfs/dbraw/zinc/79/48/98/383794898.db2.gz DMSHMRHZUZTGCR-HOCLYGCPSA-N 0 3 269.392 2.715 20 30 CFEDHN C=CCCN(C)Cc1ccnn1-c1ccccc1OC ZINC000281028170 195074772 /nfs/dbraw/zinc/07/47/72/195074772.db2.gz FRFHZPMOBHXODC-UHFFFAOYSA-N 0 3 271.364 2.889 20 30 CFEDHN Cc1c(C#N)c(N2CCNC[C@](C)(F)C2)nc2ccccc12 ZINC000573098412 383871687 /nfs/dbraw/zinc/87/16/87/383871687.db2.gz JXUJFAGGGFVQBZ-KRWDZBQOSA-N 0 3 298.365 2.553 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1CCC(C)(C)C1 ZINC000573219460 383896015 /nfs/dbraw/zinc/89/60/15/383896015.db2.gz CQJZVYBAWIGPPA-CQSZACIVSA-N 0 3 299.418 2.810 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000437452253 383902599 /nfs/dbraw/zinc/90/25/99/383902599.db2.gz LQZFZUUUHPNHJJ-GAFUQQFSSA-N 0 3 262.740 2.862 20 30 CFEDHN CCc1ccc(CNCc2ccc(CC#N)cc2)cn1 ZINC000573722628 383978963 /nfs/dbraw/zinc/97/89/63/383978963.db2.gz LGBGYSAKSRBBSV-UHFFFAOYSA-N 0 3 265.360 3.000 20 30 CFEDHN CN(C)CC(C)(C)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000454230188 383955331 /nfs/dbraw/zinc/95/53/31/383955331.db2.gz QVDHTXWVUSOYQP-UHFFFAOYSA-N 0 3 294.786 2.673 20 30 CFEDHN C[C@@H](NCc1cccn1C)c1ccc(OCC#N)cc1 ZINC000265643821 383965763 /nfs/dbraw/zinc/96/57/63/383965763.db2.gz JQQFVUYECZNSKY-CYBMUJFWSA-N 0 3 269.348 2.778 20 30 CFEDHN COc1ccccc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000335143297 533024313 /nfs/dbraw/zinc/02/43/13/533024313.db2.gz JCKQBDZEASRUNR-DGCLKSJQSA-N 0 3 258.321 2.518 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000637321701 384027905 /nfs/dbraw/zinc/02/79/05/384027905.db2.gz JNWXHGMDGWCFAR-UONOGXRCSA-N 0 3 281.444 2.570 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2nccnc2C)CC1 ZINC000440487095 384088684 /nfs/dbraw/zinc/08/86/84/384088684.db2.gz MGYOMKGDGUBQNI-AWEZNQCLSA-N 0 3 274.412 2.652 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C1CCOCC1 ZINC000532627917 384054147 /nfs/dbraw/zinc/05/41/47/384054147.db2.gz MDLNKXFFDHPKDV-UHFFFAOYSA-N 0 3 263.768 2.802 20 30 CFEDHN Cc1cc([C@@](C)(O)CNCc2ccc(C#N)cc2)c(C)o1 ZINC000266137252 384090576 /nfs/dbraw/zinc/09/05/76/384090576.db2.gz FVZUMIFRPAABRO-KRWDZBQOSA-N 0 3 284.359 2.765 20 30 CFEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266333372 384151472 /nfs/dbraw/zinc/15/14/72/384151472.db2.gz HDCYWYVSWGFGPC-UHFFFAOYSA-N 0 3 291.351 2.666 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000637624045 384140223 /nfs/dbraw/zinc/14/02/23/384140223.db2.gz SVJLNQQMBONHHG-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000574888110 384159251 /nfs/dbraw/zinc/15/92/51/384159251.db2.gz NEJPUAXBCNIWAX-CABCVRRESA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(C(C)C)on2)CC1 ZINC000266414593 384169723 /nfs/dbraw/zinc/16/97/23/384169723.db2.gz SFZXGEDMTPVLGT-UHFFFAOYSA-N 0 3 292.383 2.570 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000268689601 533049025 /nfs/dbraw/zinc/04/90/25/533049025.db2.gz GYCCPTOWQLSUNY-INIZCTEOSA-N 0 3 285.391 2.686 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCc2c(cccc2OC)C1 ZINC000277183563 384225033 /nfs/dbraw/zinc/22/50/33/384225033.db2.gz HWVHWZQYONCWJZ-GFCCVEGCSA-N 0 3 251.757 2.895 20 30 CFEDHN C=CC[C@@H](CO)NCc1cn(CC)nc1-c1ccccc1 ZINC000641747802 384312832 /nfs/dbraw/zinc/31/28/32/384312832.db2.gz OFSCKSAWRJFANH-INIZCTEOSA-N 0 3 285.391 2.597 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc(C(F)(F)F)c1 ZINC000641769034 384335353 /nfs/dbraw/zinc/33/53/53/384335353.db2.gz OKGSGTGXHWTFHG-CYBMUJFWSA-N 0 3 271.282 2.569 20 30 CFEDHN CC#CC[C@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000641769283 384336669 /nfs/dbraw/zinc/33/66/69/384336669.db2.gz RUHJOTRRWSNKNT-LLVKDONJSA-N 0 3 292.429 2.736 20 30 CFEDHN CC(C)N(CC(=O)NCc1ccc(C#N)cc1)CC1CCC1 ZINC000277624763 384357509 /nfs/dbraw/zinc/35/75/09/384357509.db2.gz ARRAYWLCQRCMIS-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C)c(Br)c1 ZINC000641767733 384333866 /nfs/dbraw/zinc/33/38/66/384333866.db2.gz PXHNIELMZMTISA-ZDUSSCGKSA-N 0 3 296.208 2.621 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2cc(C)[nH]c2C)n1 ZINC000642281982 384419828 /nfs/dbraw/zinc/41/98/28/384419828.db2.gz ZHXCNIQXWQXMLK-LLVKDONJSA-N 0 3 259.334 2.887 20 30 CFEDHN N#Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000267387666 384377225 /nfs/dbraw/zinc/37/72/25/384377225.db2.gz MXIUPFLFBWHWAL-KRWDZBQOSA-N 0 3 278.359 2.640 20 30 CFEDHN COc1cc(CNCC2(OC)CCCC2)ccc1C#N ZINC000289413865 197336875 /nfs/dbraw/zinc/33/68/75/197336875.db2.gz ANROUMYFGXRYFM-UHFFFAOYSA-N 0 3 274.364 2.616 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1ccc(CO)o1)C(C)C ZINC000267862883 384480738 /nfs/dbraw/zinc/48/07/38/384480738.db2.gz JFIYPBOAROZTHU-KRWDZBQOSA-N 0 3 292.423 2.560 20 30 CFEDHN C[C@@H]1C[C@H](Nc2c(C#N)nnc3ccccc32)CN1C1CC1 ZINC000267867632 384481023 /nfs/dbraw/zinc/48/10/23/384481023.db2.gz KNKPFZHGLOFUMK-NEPJUHHUSA-N 0 3 293.374 2.539 20 30 CFEDHN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000268037494 384515387 /nfs/dbraw/zinc/51/53/87/384515387.db2.gz WWZVVEYSLHMLHL-INIZCTEOSA-N 0 3 299.418 2.950 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](c1cccs1)C(C)(C)CO ZINC000289358176 197309611 /nfs/dbraw/zinc/30/96/11/197309611.db2.gz NWXSVSXXLBCSCC-JSGCOSHPSA-N 0 3 283.437 2.724 20 30 CFEDHN CN(C)CCN(Cc1ccccc1F)c1ncccc1C#N ZINC000268340491 384608078 /nfs/dbraw/zinc/60/80/78/384608078.db2.gz RRZDWFOKUHWHHB-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000279574633 384683221 /nfs/dbraw/zinc/68/32/21/384683221.db2.gz OTAIMACOMSOMQI-OAHLLOKOSA-N 0 3 275.396 2.555 20 30 CFEDHN COC(=O)C(C)(C)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000279954407 384826408 /nfs/dbraw/zinc/82/64/08/384826408.db2.gz OSBWHHKKNYQYID-LBPRGKRZSA-N 0 3 274.364 2.798 20 30 CFEDHN N#Cc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000269608965 384801703 /nfs/dbraw/zinc/80/17/03/384801703.db2.gz DOUBYTYJTGRDOK-INIZCTEOSA-N 0 3 283.375 2.904 20 30 CFEDHN CN(C)[C@@H](CNc1cnccc1C#N)c1ccc(F)cc1 ZINC000269959947 384921097 /nfs/dbraw/zinc/92/10/97/384921097.db2.gz LNOBASUHEQXFNR-INIZCTEOSA-N 0 3 284.338 2.807 20 30 CFEDHN COc1cc2c(cc1OC)[C@H](NCCCC#N)CC2 ZINC000280200886 384926190 /nfs/dbraw/zinc/92/61/90/384926190.db2.gz SUFNLCPJOSYOSG-CYBMUJFWSA-N 0 3 260.337 2.584 20 30 CFEDHN C#CCN(CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000280335364 384979610 /nfs/dbraw/zinc/97/96/10/384979610.db2.gz HZUHPCNEBIFCAK-UHFFFAOYSA-N 0 3 280.371 2.768 20 30 CFEDHN CCCN(CCN1CCCC1)Cc1ccc(C#N)s1 ZINC000289216025 197266181 /nfs/dbraw/zinc/26/61/81/197266181.db2.gz CFYCGAMNEOAJKX-UHFFFAOYSA-N 0 3 277.437 2.928 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cscn1 ZINC000280706406 385122862 /nfs/dbraw/zinc/12/28/62/385122862.db2.gz CXANNTOOTJGRND-MDZLAQPJSA-N 0 3 252.383 2.775 20 30 CFEDHN C#CC[C@H](NC(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000270405075 385088979 /nfs/dbraw/zinc/08/89/79/385088979.db2.gz KHGZUACMBWTJNR-KRWDZBQOSA-N 0 3 299.418 2.535 20 30 CFEDHN C#CCCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000270675611 385185104 /nfs/dbraw/zinc/18/51/04/385185104.db2.gz XXKUUFALYRVTMN-UHFFFAOYSA-N 0 3 265.303 2.831 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)[C@H](C)Cc2ccsc2)C1=O ZINC000281414368 385193787 /nfs/dbraw/zinc/19/37/87/385193787.db2.gz RHPWBTYLPFNBIG-UKRRQHHQSA-N 0 3 292.448 2.788 20 30 CFEDHN CN(C)CCN(Cc1ccco1)Cc1cccc(C#N)c1 ZINC000270589384 385156603 /nfs/dbraw/zinc/15/66/03/385156603.db2.gz JYNGDZWBMCEKAW-UHFFFAOYSA-N 0 3 283.375 2.715 20 30 CFEDHN C=C(C)COc1cc(CNC(C)(C)[C@H](C)O)ccc1OC ZINC000270739778 385209568 /nfs/dbraw/zinc/20/95/68/385209568.db2.gz UOFOQQWSHNIXTB-ZDUSSCGKSA-N 0 3 293.407 2.899 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645184245 385229922 /nfs/dbraw/zinc/22/99/22/385229922.db2.gz PBJLGUFPPVGMIK-DOMZBBRYSA-N 0 3 289.354 2.599 20 30 CFEDHN CCc1cc(C#N)ccc1OC(=O)C1CCN(C2CC2)CC1 ZINC000282221509 385252367 /nfs/dbraw/zinc/25/23/67/385252367.db2.gz UMTFWJQGUWVHQR-UHFFFAOYSA-N 0 3 298.386 2.900 20 30 CFEDHN CN(Cc1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271047464 385319491 /nfs/dbraw/zinc/31/94/91/385319491.db2.gz RNUBLZPFINMFTH-MRXNPFEDSA-N 0 3 295.386 2.858 20 30 CFEDHN C#CCCCNc1ccccc1CN1CCC(CO)CC1 ZINC000270885349 385258387 /nfs/dbraw/zinc/25/83/87/385258387.db2.gz GFBWKRPZWFOYJK-UHFFFAOYSA-N 0 3 286.419 2.716 20 30 CFEDHN C=C(C)CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000270985392 385291560 /nfs/dbraw/zinc/29/15/60/385291560.db2.gz SIIWLFKVKVLSGF-ZDUSSCGKSA-N 0 3 284.197 2.990 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000289091275 197232020 /nfs/dbraw/zinc/23/20/20/197232020.db2.gz BOCCCKFXHHJIAL-ZDUSSCGKSA-N 0 3 259.349 2.761 20 30 CFEDHN C=CCC[C@H](C)NCCS(=O)(=O)CCc1ccccc1 ZINC000282618051 385354160 /nfs/dbraw/zinc/35/41/60/385354160.db2.gz XRUWCAKDESNOGJ-HNNXBMFYSA-N 0 3 295.448 2.588 20 30 CFEDHN C[C@]1(CCCO)CCCN1Cc1ccc(C#N)cc1F ZINC000271190433 385368798 /nfs/dbraw/zinc/36/87/98/385368798.db2.gz LVUOZSMJOUMYLL-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN COc1cc(CN2CCCC[C@H]2C[C@H](C)O)ccc1C#N ZINC000282490914 385325590 /nfs/dbraw/zinc/32/55/90/385325590.db2.gz XMJDTZKFANMAON-BBRMVZONSA-N 0 3 288.391 2.692 20 30 CFEDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271913209 385398790 /nfs/dbraw/zinc/39/87/90/385398790.db2.gz BPDDYKWHOKZTFZ-RYUDHWBXSA-N 0 3 272.327 2.633 20 30 CFEDHN COC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000271928909 385403501 /nfs/dbraw/zinc/40/35/01/385403501.db2.gz HEPQZFMDXIPDPA-MEBBXXQBSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@H](Cn1ccnc1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271937465 385405790 /nfs/dbraw/zinc/40/57/90/385405790.db2.gz NRQFPXOWWOPMRG-VXGBXAGGSA-N 0 3 272.327 2.633 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000271955867 385410269 /nfs/dbraw/zinc/41/02/69/385410269.db2.gz PXGUKIFFSCSIKG-XHDPSFHLSA-N 0 3 288.322 2.983 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC000283313378 385456011 /nfs/dbraw/zinc/45/60/11/385456011.db2.gz ZCWYTYZLWFGNLG-QWHCGFSZSA-N 0 3 293.794 2.869 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000283091183 385434935 /nfs/dbraw/zinc/43/49/35/385434935.db2.gz LHEXAZQFKQQJPJ-UPJWGTAASA-N 0 3 274.364 2.797 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000283091173 385434965 /nfs/dbraw/zinc/43/49/65/385434965.db2.gz LHEXAZQFKQQJPJ-AGIUHOORSA-N 0 3 274.364 2.797 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2cccc(C#N)c2)C1 ZINC000288899781 197189278 /nfs/dbraw/zinc/18/92/78/197189278.db2.gz SNLXSHMYCGGPRH-MRXNPFEDSA-N 0 3 258.365 2.543 20 30 CFEDHN C=CCc1cc(CNCCC2(O)CCC2)cc(OC)c1O ZINC000283944930 385516202 /nfs/dbraw/zinc/51/62/02/385516202.db2.gz JWXVYMBUXXAEIY-UHFFFAOYSA-N 0 3 291.391 2.524 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN[C@H]1CCC[C@@H]1CCO ZINC000286233936 385575509 /nfs/dbraw/zinc/57/55/09/385575509.db2.gz RMBZTMSJYHMEJV-ABAIWWIYSA-N 0 3 278.783 2.852 20 30 CFEDHN C=CCC[C@H](NC[C@H](C)CN1CCOCC1)c1ccco1 ZINC000286239709 385576396 /nfs/dbraw/zinc/57/63/96/385576396.db2.gz TWUJNDBHTWFFAH-HOTGVXAUSA-N 0 3 292.423 2.845 20 30 CFEDHN CC1(C#N)CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000272509408 385555033 /nfs/dbraw/zinc/55/50/33/385555033.db2.gz FVZOARJOFFSVIY-UHFFFAOYSA-N 0 3 283.375 2.953 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000285919008 385558451 /nfs/dbraw/zinc/55/84/51/385558451.db2.gz LERCDNVRGRKTID-WMLDXEAASA-N 0 3 287.407 2.563 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000285919003 385558662 /nfs/dbraw/zinc/55/86/62/385558662.db2.gz LERCDNVRGRKTID-RHSMWYFYSA-N 0 3 287.407 2.563 20 30 CFEDHN C#CCOc1ccccc1CN1CCCSCC1 ZINC000272815803 385622803 /nfs/dbraw/zinc/62/28/03/385622803.db2.gz OAQMJHGYDJDXNY-UHFFFAOYSA-N 0 3 261.390 2.638 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(CC)nc(C)n2)CC1 ZINC000272891795 385643722 /nfs/dbraw/zinc/64/37/22/385643722.db2.gz NWIPBKAIWOLUEV-UHFFFAOYSA-N 0 3 274.412 2.800 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000272898615 385645187 /nfs/dbraw/zinc/64/51/87/385645187.db2.gz URZFXFKZISODPK-UKRRQHHQSA-N 0 3 293.432 2.734 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC[C@H](C)OC)C(C)C ZINC000272898558 385645561 /nfs/dbraw/zinc/64/55/61/385645561.db2.gz BFSUSQWHQQPIGQ-JKSUJKDBSA-N 0 3 296.455 2.616 20 30 CFEDHN CN1CC[C@H](Nc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000286583249 385657155 /nfs/dbraw/zinc/65/71/55/385657155.db2.gz STFMLWWCFSKEKJ-DLBZAZTESA-N 0 3 278.359 2.811 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000273328850 385677459 /nfs/dbraw/zinc/67/74/59/385677459.db2.gz QROAJJNUYKHWJF-IRXDYDNUSA-N 0 3 297.402 2.681 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCC2=CCCOC2)cc1 ZINC000287030910 385766633 /nfs/dbraw/zinc/76/66/33/385766633.db2.gz LSVHGMRIJSLBKN-CQSZACIVSA-N 0 3 271.360 2.696 20 30 CFEDHN CC#CCCN1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639960510 385794640 /nfs/dbraw/zinc/79/46/40/385794640.db2.gz SXQQXGVKXIGXDB-UHFFFAOYSA-N 0 3 284.403 2.603 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000288552984 197110756 /nfs/dbraw/zinc/11/07/56/197110756.db2.gz VRDOAPFJDIUOAD-ZBFHGGJFSA-N 0 3 297.402 2.566 20 30 CFEDHN C[C@H](N[C@@H]1CCCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000274796113 385873755 /nfs/dbraw/zinc/87/37/55/385873755.db2.gz PKSPMAVTESMNHB-COLVAYQJSA-N 0 3 262.328 2.651 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](O)C(C)(C)C1 ZINC000275544027 385978902 /nfs/dbraw/zinc/97/89/02/385978902.db2.gz ZJTZFEZKDIGLQI-SWLSCSKDSA-N 0 3 258.365 2.712 20 30 CFEDHN C[C@@H](CCC#N)N1CCCN(c2ccccc2C#N)CC1 ZINC000276352797 385987901 /nfs/dbraw/zinc/98/79/01/385987901.db2.gz WWIVROUYHBKATD-HNNXBMFYSA-N 0 3 282.391 2.763 20 30 CFEDHN C=CC[C@H](C(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000275174159 385950857 /nfs/dbraw/zinc/95/08/57/385950857.db2.gz VKIMHKTZJYRRFM-INIZCTEOSA-N 0 3 272.392 2.557 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000275260273 385966912 /nfs/dbraw/zinc/96/69/12/385966912.db2.gz RWIKYCKRLIOQQS-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN C#CCC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000276734039 386028816 /nfs/dbraw/zinc/02/88/16/386028816.db2.gz YGNXKWQNFFGUFK-HNNXBMFYSA-N 0 3 288.435 2.727 20 30 CFEDHN C=C(C)CCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000277019248 386109781 /nfs/dbraw/zinc/10/97/81/386109781.db2.gz ZKZFWXYQUDNCDP-GDBMZVCRSA-N 0 3 294.345 2.792 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288283626 197043864 /nfs/dbraw/zinc/04/38/64/197043864.db2.gz XCWMKBFSNXMSEM-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCCCCNC(=O)N[C@@H](CC)CN1CCCC1 ZINC000681188500 542422928 /nfs/dbraw/zinc/42/29/28/542422928.db2.gz JQKXGJYNORQDIM-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN COc1cc(C#N)ccc1OCCN(C)CCCSC ZINC000281433064 195238642 /nfs/dbraw/zinc/23/86/42/195238642.db2.gz PLEAVNMLZJXOPE-UHFFFAOYSA-N 0 3 294.420 2.631 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000186687070 260004762 /nfs/dbraw/zinc/00/47/62/260004762.db2.gz GDHWFQCTZSVYHM-ZYHUDNBSSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCC[C@@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000681726852 542482557 /nfs/dbraw/zinc/48/25/57/542482557.db2.gz KQPPTOGVHBZQDX-IAGOWNOFSA-N 0 3 286.419 2.947 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1C(C)(C)C ZINC000355353780 262363512 /nfs/dbraw/zinc/36/35/12/262363512.db2.gz KEQOPPLGBMJJAR-KBPBESRZSA-N 0 3 279.428 2.505 20 30 CFEDHN COc1cc(CN[C@H]2COc3ccccc3C2)ccc1C#N ZINC000281594984 195302283 /nfs/dbraw/zinc/30/22/83/195302283.db2.gz FGHZKAMFYMWIRT-MRXNPFEDSA-N 0 3 294.354 2.660 20 30 CFEDHN COc1ccc(CN2CC[C@@H](OC)C[C@@H]2C)cc1C#N ZINC000281600616 195304588 /nfs/dbraw/zinc/30/45/88/195304588.db2.gz FTUOSZPNTJJHIR-SWLSCSKDSA-N 0 3 274.364 2.566 20 30 CFEDHN COc1cc(CNCCOCc2ccccc2)ccc1C#N ZINC000281669110 195328745 /nfs/dbraw/zinc/32/87/45/195328745.db2.gz LJWZSLPMYKASTA-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN C=CC[C@H](CC)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000281644880 195320573 /nfs/dbraw/zinc/32/05/73/195320573.db2.gz PHFLZKTYZYFADU-KBPBESRZSA-N 0 3 281.421 2.793 20 30 CFEDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC)ccc1C#N ZINC000281819850 195396280 /nfs/dbraw/zinc/39/62/80/195396280.db2.gz WVCXLGQBAYMVFD-HUUCEWRRSA-N 0 3 274.364 2.614 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1CSC ZINC000157252471 533268845 /nfs/dbraw/zinc/26/88/45/533268845.db2.gz YETYUQBMRNJEDI-CQSZACIVSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(c2nnc3ccccn32)CC1 ZINC000351424650 533512649 /nfs/dbraw/zinc/51/26/49/533512649.db2.gz WTBVGBYELRSIEE-ZDUSSCGKSA-N 0 3 283.379 2.601 20 30 CFEDHN C=CC[C@H](CO)NCc1c(Cl)cccc1CC ZINC000682730518 542585433 /nfs/dbraw/zinc/58/54/33/542585433.db2.gz HIMQJOOVXFIRGB-GFCCVEGCSA-N 0 3 253.773 2.929 20 30 CFEDHN COCCN(CC#Cc1ccccc1)C1CCCC1 ZINC000683005112 542626018 /nfs/dbraw/zinc/62/60/18/542626018.db2.gz VODFVPQUOJNSHQ-UHFFFAOYSA-N 0 3 257.377 2.929 20 30 CFEDHN CC(C)C[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000342099458 130261003 /nfs/dbraw/zinc/26/10/03/130261003.db2.gz QBDLHFWGWSOYJA-QGZVFWFLSA-N 0 3 299.418 2.542 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)[C@@H]1CCCSC1 ZINC000355685101 130334314 /nfs/dbraw/zinc/33/43/14/130334314.db2.gz QSKUNSRKYLYROP-MRXNPFEDSA-N 0 3 290.432 2.902 20 30 CFEDHN CC[C@]1(NCC#Cc2cccc(Cl)c2)CCOC1 ZINC000683041796 542633996 /nfs/dbraw/zinc/63/39/96/542633996.db2.gz FGMVCXNLJTXISG-HNNXBMFYSA-N 0 3 263.768 2.850 20 30 CFEDHN CC[C@@]1(NCC#Cc2ccc(Cl)cc2)CCOC1 ZINC000683044550 542634967 /nfs/dbraw/zinc/63/49/67/542634967.db2.gz TWGIPPXKRUCPQL-OAHLLOKOSA-N 0 3 263.768 2.850 20 30 CFEDHN CCOC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192026149 130354327 /nfs/dbraw/zinc/35/43/27/130354327.db2.gz SCNOQIGRJGAMEX-KRWDZBQOSA-N 0 3 257.377 2.787 20 30 CFEDHN C=C(C)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192129150 130378652 /nfs/dbraw/zinc/37/86/52/130378652.db2.gz BCPBJEOOUYVNDK-KGLIPLIRSA-N 0 3 253.292 2.961 20 30 CFEDHN C=C(C)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192129146 130379233 /nfs/dbraw/zinc/37/92/33/130379233.db2.gz BCPBJEOOUYVNDK-UONOGXRCSA-N 0 3 253.292 2.961 20 30 CFEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H]1CCCCO1 ZINC000356690719 130398450 /nfs/dbraw/zinc/39/84/50/130398450.db2.gz FUSOCURJJCGECI-ZWNOBZJWSA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@H](NCc1cc(C#N)cs1)[C@H]1CCCCO1 ZINC000356690711 130398616 /nfs/dbraw/zinc/39/86/16/130398616.db2.gz FUSOCURJJCGECI-GXFFZTMASA-N 0 3 250.367 2.667 20 30 CFEDHN Cc1nc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000268422668 132007039 /nfs/dbraw/zinc/00/70/39/132007039.db2.gz DCTSYKCORPSFNL-CYBMUJFWSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000268422668 132007040 /nfs/dbraw/zinc/00/70/40/132007040.db2.gz DCTSYKCORPSFNL-CYBMUJFWSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC000268422668 132007041 /nfs/dbraw/zinc/00/70/41/132007041.db2.gz DCTSYKCORPSFNL-CYBMUJFWSA-N 0 3 299.353 2.504 20 30 CFEDHN C=CCC[C@@H](O)CNC1(c2nccs2)CCCC1 ZINC000268512932 132020131 /nfs/dbraw/zinc/02/01/31/132020131.db2.gz COBFFSUQODEDPW-GFCCVEGCSA-N 0 3 266.410 2.829 20 30 CFEDHN N#Cc1ccc([C@H](O)CNC2(c3ccccc3)CC2)cc1 ZINC000268695133 132050810 /nfs/dbraw/zinc/05/08/10/132050810.db2.gz SOKBOJJXPNAMTL-QGZVFWFLSA-N 0 3 278.355 2.871 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)Cn2ccnc2)cc1 ZINC000268786848 132065717 /nfs/dbraw/zinc/06/57/17/132065717.db2.gz BTDPFJANJUSTRH-LSDHHAIUSA-N 0 3 283.375 2.634 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)CN1CCCC1 ZINC000683840122 542733371 /nfs/dbraw/zinc/73/33/71/542733371.db2.gz QQNWEEWSKOJECS-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCCCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000683779151 542723880 /nfs/dbraw/zinc/72/38/80/542723880.db2.gz YCDCUDSBDQIVKM-MRXNPFEDSA-N 0 3 266.429 2.529 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCOC3(CCSCC3)C2)o1 ZINC000269303869 132152646 /nfs/dbraw/zinc/15/26/46/132152646.db2.gz DBPHVRCSJJGYQU-GFCCVEGCSA-N 0 3 292.404 2.686 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NCc1ccc(C#N)cc1F ZINC000269445026 132171686 /nfs/dbraw/zinc/17/16/86/132171686.db2.gz UPJGEYFCWKWMBQ-ZIAGYGMSSA-N 0 3 289.398 2.907 20 30 CFEDHN CCc1ccc([C@H](CNc2ccc(C#N)nn2)N(C)C)cc1 ZINC000301929506 393481939 /nfs/dbraw/zinc/48/19/39/393481939.db2.gz NUJMAVXBDFOXPY-INIZCTEOSA-N 0 3 295.390 2.625 20 30 CFEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1cccc(C)c1 ZINC000179583992 393469342 /nfs/dbraw/zinc/46/93/42/393469342.db2.gz WSCRLRFMZBEFOY-UHFFFAOYSA-N 0 3 287.407 2.582 20 30 CFEDHN CN(CC#Cc1ccccc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373817584 393473252 /nfs/dbraw/zinc/47/32/52/393473252.db2.gz AVGIDRKKHNOXAG-BBWFWOEESA-N 0 3 269.388 2.783 20 30 CFEDHN C#CCOc1ccc(CN2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000374252915 393489607 /nfs/dbraw/zinc/48/96/07/393489607.db2.gz BDMKWRUTHWQVJW-ZWKOTPCHSA-N 0 3 285.387 2.842 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccccc1N(C)C ZINC000181093171 393490151 /nfs/dbraw/zinc/49/01/51/393490151.db2.gz UQMZBGUGWJDFNQ-ZDUSSCGKSA-N 0 3 262.422 2.770 20 30 CFEDHN C=C(C)CN1CCC[C@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000374407621 393496100 /nfs/dbraw/zinc/49/61/00/393496100.db2.gz WSHZUFFUTNNPTJ-HOTGVXAUSA-N 0 3 261.365 2.769 20 30 CFEDHN CC[C@@H](O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305852835 393504126 /nfs/dbraw/zinc/50/41/26/393504126.db2.gz VEFOEWBRSSBKQF-ZWNOBZJWSA-N 0 3 250.317 2.509 20 30 CFEDHN C=CCN(CCCn1ccnc1)Cc1ccccc1 ZINC000182618531 393511756 /nfs/dbraw/zinc/51/17/56/393511756.db2.gz NTORIERGOHJVTK-UHFFFAOYSA-N 0 3 255.365 2.961 20 30 CFEDHN C=CCN(CCCn1ccnc1)Cc1cccc(C#N)c1 ZINC000183168440 393517166 /nfs/dbraw/zinc/51/71/66/393517166.db2.gz ZZZSJYXZMZSSMW-UHFFFAOYSA-N 0 3 280.375 2.833 20 30 CFEDHN COC(=O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000037488725 393529932 /nfs/dbraw/zinc/52/99/32/393529932.db2.gz UAQKFWLHMQNVPE-UHFFFAOYSA-N 0 3 280.327 2.635 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC000329451159 393536071 /nfs/dbraw/zinc/53/60/71/393536071.db2.gz OWHXVRCSCPKWRR-FRRDWIJNSA-N 0 3 281.400 2.572 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC000329484551 393537650 /nfs/dbraw/zinc/53/76/50/393537650.db2.gz QNUIDQWDRPDBBT-ZDUSSCGKSA-N 0 3 286.379 2.742 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000331574275 393555789 /nfs/dbraw/zinc/55/57/89/393555789.db2.gz SCTUZYDATDNLIM-MGPQQGTHSA-N 0 3 276.380 2.677 20 30 CFEDHN C=CCOc1ccccc1CN1CC([C@@H]2CCOC2)C1 ZINC000684416219 542804887 /nfs/dbraw/zinc/80/48/87/542804887.db2.gz VUMARSALFQOSND-OAHLLOKOSA-N 0 3 273.376 2.720 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccoc1)C(C)C ZINC000046049057 393574431 /nfs/dbraw/zinc/57/44/31/393574431.db2.gz ZPIRCLGNEQELNO-HNNXBMFYSA-N 0 3 276.380 2.708 20 30 CFEDHN CC(C)(C)OC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334300210 393591367 /nfs/dbraw/zinc/59/13/67/393591367.db2.gz TUCQMFDEKSTDCM-CHWSQXEVSA-N 0 3 250.386 2.958 20 30 CFEDHN CC(C)N(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192543803 393625902 /nfs/dbraw/zinc/62/59/02/393625902.db2.gz SZMLUTTYVIPZRR-QGZVFWFLSA-N 0 3 297.402 2.926 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1O ZINC000192800054 393632551 /nfs/dbraw/zinc/63/25/51/393632551.db2.gz XUAJGDYJGNNRKQ-DGCLKSJQSA-N 0 3 260.337 2.573 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000335599146 393682589 /nfs/dbraw/zinc/68/25/89/393682589.db2.gz UUJPJTRUFYPGFW-GFCCVEGCSA-N 0 3 296.374 2.504 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000335105439 393641647 /nfs/dbraw/zinc/64/16/47/393641647.db2.gz USZGXTKRBHQBIR-INIZCTEOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000335141023 393645977 /nfs/dbraw/zinc/64/59/77/393645977.db2.gz INZDAHPRCHORQJ-UONOGXRCSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000335145635 393646113 /nfs/dbraw/zinc/64/61/13/393646113.db2.gz GACKVGNVOMZORG-INIZCTEOSA-N 0 3 285.391 2.905 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCC=CO1 ZINC000193726903 393663252 /nfs/dbraw/zinc/66/32/52/393663252.db2.gz PSYPUYZFGAQUGG-KRWDZBQOSA-N 0 3 286.375 2.699 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)CC(F)F)CC1 ZINC000412035970 393761374 /nfs/dbraw/zinc/76/13/74/393761374.db2.gz HZYMCRLBEZJNFL-UHFFFAOYSA-N 0 3 288.382 2.825 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(COC)cc1 ZINC000411640980 393733712 /nfs/dbraw/zinc/73/37/12/393733712.db2.gz FZBVCEFBRRYWLO-UHFFFAOYSA-N 0 3 276.424 2.773 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1c(C)nc2ccccn21 ZINC000411648164 393735194 /nfs/dbraw/zinc/73/51/94/393735194.db2.gz ZOQYFNSUYVHKPS-UHFFFAOYSA-N 0 3 286.423 2.582 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C1 ZINC000411721652 393742984 /nfs/dbraw/zinc/74/29/84/393742984.db2.gz SVMKFTGZEBHOOU-OKILXGFUSA-N 0 3 250.386 2.960 20 30 CFEDHN CC(C)N(CCC1(C#N)CCCCC1)C[C@@H]1CCC(=O)N1 ZINC000412094226 393762138 /nfs/dbraw/zinc/76/21/38/393762138.db2.gz WUXBQZKKUSLWNB-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN CO[C@](C)(CNCc1cc(C#N)cs1)C1CC1 ZINC000336705634 393748379 /nfs/dbraw/zinc/74/83/79/393748379.db2.gz LDCSSPNNVNYMNO-CYBMUJFWSA-N 0 3 250.367 2.524 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000411978732 393758354 /nfs/dbraw/zinc/75/83/54/393758354.db2.gz BTPHOCQWYOCTLP-SJLPKXTDSA-N 0 3 288.435 2.520 20 30 CFEDHN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000335729452 393695044 /nfs/dbraw/zinc/69/50/44/393695044.db2.gz IFVFXKHEIVOSOR-WFASDCNBSA-N 0 3 296.374 2.879 20 30 CFEDHN CC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000335763165 393699615 /nfs/dbraw/zinc/69/96/15/393699615.db2.gz ZBIJUBGNXGWDMC-INIZCTEOSA-N 0 3 295.386 2.889 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000194735561 393714512 /nfs/dbraw/zinc/71/45/12/393714512.db2.gz WDNYXFSPCZRGQH-UHFFFAOYSA-N 0 3 293.370 2.801 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000411999946 393760213 /nfs/dbraw/zinc/76/02/13/393760213.db2.gz UJHSARWDZIOTTP-IRXDYDNUSA-N 0 3 286.419 2.947 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2c(F)cccc2F)CCC1 ZINC000412602368 393770931 /nfs/dbraw/zinc/77/09/31/393770931.db2.gz OJMNLCQYYTUPPA-JTQLQIEISA-N 0 3 278.302 2.662 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN(C)C(C)C ZINC000412846534 393774867 /nfs/dbraw/zinc/77/48/67/393774867.db2.gz WSLLGHVHRUEXRY-MRXNPFEDSA-N 0 3 274.408 2.630 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000412972014 393776620 /nfs/dbraw/zinc/77/66/20/393776620.db2.gz SVXJQQJVTPIWQW-QWRGUYRKSA-N 0 3 287.338 2.524 20 30 CFEDHN C=CCCCCCN1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338350509 393782878 /nfs/dbraw/zinc/78/28/78/393782878.db2.gz JQBSOZRRLRVEIR-UGUYLWEFSA-N 0 3 295.423 2.916 20 30 CFEDHN C=CCCCCCN1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338350510 393783081 /nfs/dbraw/zinc/78/30/81/393783081.db2.gz JQBSOZRRLRVEIR-WCVJEAGWSA-N 0 3 295.423 2.916 20 30 CFEDHN C[C@@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000413471136 393784225 /nfs/dbraw/zinc/78/42/25/393784225.db2.gz NCHYJAWKGFVEBW-KDEOKCCVSA-N 0 3 291.439 2.836 20 30 CFEDHN C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000413557796 393785285 /nfs/dbraw/zinc/78/52/85/393785285.db2.gz SDQBOBXFKYZYJK-CTASWTNQSA-N 0 3 291.439 2.836 20 30 CFEDHN CN(CCC(=O)N(C)CCC#N)Cc1cc2ccccc2o1 ZINC000092798958 393791827 /nfs/dbraw/zinc/79/18/27/393791827.db2.gz GPOJOBAPQJPMKQ-UHFFFAOYSA-N 0 3 299.374 2.627 20 30 CFEDHN N#CCCCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338599271 393793533 /nfs/dbraw/zinc/79/35/33/393793533.db2.gz LYRVVTZOTVVSCI-UHFFFAOYSA-N 0 3 281.363 2.535 20 30 CFEDHN CCCCN(C)C(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338930681 393806371 /nfs/dbraw/zinc/80/63/71/393806371.db2.gz WGSMOEJOFZQZTN-ZBFHGGJFSA-N 0 3 291.439 2.649 20 30 CFEDHN N#CCCOCCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000339013304 393809675 /nfs/dbraw/zinc/80/96/75/393809675.db2.gz KLSLGVQFSCPHRE-AWEZNQCLSA-N 0 3 262.328 2.545 20 30 CFEDHN C=CCOCCN1Cc2ccccc2N(C)C[C@@H]1C ZINC000339012801 393809964 /nfs/dbraw/zinc/80/99/64/393809964.db2.gz DYDGNXMREHSMHA-AWEZNQCLSA-N 0 3 260.381 2.530 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000339066624 393815326 /nfs/dbraw/zinc/81/53/26/393815326.db2.gz GXFYUHGTWQCUHY-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C[C@H](NCCOCCC#N)c1ccc2ncsc2c1 ZINC000339089566 393818535 /nfs/dbraw/zinc/81/85/35/393818535.db2.gz BQBVBBUJAKHEKA-NSHDSACASA-N 0 3 275.377 2.877 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000246482545 393870865 /nfs/dbraw/zinc/87/08/65/393870865.db2.gz YKMFHJDLBRLRRC-CZUORRHYSA-N 0 3 281.363 2.548 20 30 CFEDHN CC[C@H]1CN2CCC[C@H]2CN1c1nccc(C#N)c1Cl ZINC000342848471 393871820 /nfs/dbraw/zinc/87/18/20/393871820.db2.gz LVZCSJNKWTWFPT-STQMWFEESA-N 0 3 290.798 2.670 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000342873843 393872440 /nfs/dbraw/zinc/87/24/40/393872440.db2.gz RTDHMSDWQFTSIM-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC1CC1)CC1CC1 ZINC000115562839 393905025 /nfs/dbraw/zinc/90/50/25/393905025.db2.gz AUCJIQHSLSIGDH-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN CC(C)n1cnnc1[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345712032 393913963 /nfs/dbraw/zinc/91/39/63/393913963.db2.gz NFQUNRJEZFBNFL-AWEZNQCLSA-N 0 3 289.427 2.978 20 30 CFEDHN N#Cc1cnc(N2CC[C@@H](N3CCCCC3)C2)c(Cl)c1 ZINC000341107895 393850702 /nfs/dbraw/zinc/85/07/02/393850702.db2.gz SJYHWMARSIGVIZ-CYBMUJFWSA-N 0 3 290.798 2.671 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)N1CCC[C@@H](C)C1 ZINC000246287724 393859296 /nfs/dbraw/zinc/85/92/96/393859296.db2.gz XNRABOCRWPHVIT-CHWSQXEVSA-N 0 3 277.437 2.830 20 30 CFEDHN CC(C)(C#N)CCN1CCC(CN2CCCCC2=O)CC1 ZINC000345726725 393914944 /nfs/dbraw/zinc/91/49/44/393914944.db2.gz KCUVTKGMGBIFBT-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000345748234 393916065 /nfs/dbraw/zinc/91/60/65/393916065.db2.gz JADKFGCJQNQNJO-GFCCVEGCSA-N 0 3 299.374 2.591 20 30 CFEDHN C=CCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346242061 393924427 /nfs/dbraw/zinc/92/44/27/393924427.db2.gz RGKSRROHHKHFLL-QLFBSQMISA-N 0 3 264.413 2.531 20 30 CFEDHN COc1ccc(C[C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000346438574 393929630 /nfs/dbraw/zinc/92/96/30/393929630.db2.gz QZHUKVSXEXILFJ-UKRRQHHQSA-N 0 3 286.375 2.636 20 30 CFEDHN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C(C)C#N ZINC000346180719 393922401 /nfs/dbraw/zinc/92/24/01/393922401.db2.gz DPWZSZNJWIJIGS-NWDGAFQWSA-N 0 3 284.363 2.954 20 30 CFEDHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000271409366 394019977 /nfs/dbraw/zinc/01/99/77/394019977.db2.gz YAVAJHJBJBQHNK-BBRMVZONSA-N 0 3 286.375 2.895 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N(C)CCN(C)C3CC3)c2c1 ZINC000487745512 394022003 /nfs/dbraw/zinc/02/20/03/394022003.db2.gz YROGIPVBVJLHRG-UHFFFAOYSA-N 0 3 294.402 2.945 20 30 CFEDHN C=C(C)CN(CCCOC)Cc1cnn(C(C)C)c1 ZINC000352939674 394022106 /nfs/dbraw/zinc/02/21/06/394022106.db2.gz AZWVNFSUNWAGBL-UHFFFAOYSA-N 0 3 265.401 2.879 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121250576 393953117 /nfs/dbraw/zinc/95/31/17/393953117.db2.gz XPTZEDLSUGRSGF-OAHLLOKOSA-N 0 3 295.386 2.801 20 30 CFEDHN N#Cc1ccc(CN2CCNC[C@H]2c2cccc(F)c2)cc1 ZINC000262183241 393953257 /nfs/dbraw/zinc/95/32/57/393953257.db2.gz IYZQDFLELUTEEK-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN C=CCOc1cccc(CN(C)[C@H]2CCCOC2)c1 ZINC000348713497 393957237 /nfs/dbraw/zinc/95/72/37/393957237.db2.gz LACPDNCVHGVGTQ-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H]2CCCOC2)cc1OC ZINC000348719224 393957402 /nfs/dbraw/zinc/95/74/02/393957402.db2.gz ZMGLRKKQIWIDJX-HNNXBMFYSA-N 0 3 291.391 2.871 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H]1CCC ZINC000348812825 393959231 /nfs/dbraw/zinc/95/92/31/393959231.db2.gz WNWXJINVDUUSMB-OAHLLOKOSA-N 0 3 264.413 2.842 20 30 CFEDHN CO[C@@H](C)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000348832387 393959297 /nfs/dbraw/zinc/95/92/97/393959297.db2.gz IMMNPQXXWOXMQY-AWEZNQCLSA-N 0 3 276.380 2.836 20 30 CFEDHN C=C(C)CN(CC)C(=O)CCN1CCc2ccccc2C1 ZINC000348939754 393960498 /nfs/dbraw/zinc/96/04/98/393960498.db2.gz HSUNQOZRYDCZKO-UHFFFAOYSA-N 0 3 286.419 2.859 20 30 CFEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000348920202 393960578 /nfs/dbraw/zinc/96/05/78/393960578.db2.gz JBDSPHFXYCQOJS-SWLSCSKDSA-N 0 3 272.348 2.645 20 30 CFEDHN N#C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000349482900 393970587 /nfs/dbraw/zinc/97/05/87/393970587.db2.gz FDIKYPKEMVFJMJ-KRWDZBQOSA-N 0 3 297.402 2.704 20 30 CFEDHN C=CCN1CCC(NCc2ncc(Cl)s2)CC1 ZINC000349643513 393972023 /nfs/dbraw/zinc/97/20/23/393972023.db2.gz DYWDTLOCCUCGGE-UHFFFAOYSA-N 0 3 271.817 2.537 20 30 CFEDHN CN(C)[C@H](CNc1cccc(C#N)n1)c1ccccc1 ZINC000265504763 393973802 /nfs/dbraw/zinc/97/38/02/393973802.db2.gz JAMULQSWJGTKAD-OAHLLOKOSA-N 0 3 266.348 2.668 20 30 CFEDHN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C(C)(C)C1 ZINC000350328216 393976500 /nfs/dbraw/zinc/97/65/00/393976500.db2.gz MVWSLHORKYRSCR-AWEZNQCLSA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@H](O)[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000267393737 393987269 /nfs/dbraw/zinc/98/72/69/393987269.db2.gz PDHLTPVIBYQTAZ-XJKSGUPXSA-N 0 3 277.795 2.927 20 30 CFEDHN C=CC[C@H](C)NCc1ccc(Br)cn1 ZINC000124241016 393992419 /nfs/dbraw/zinc/99/24/19/393992419.db2.gz HDTBCRJUBNSRBD-VIFPVBQESA-N 0 3 255.159 2.898 20 30 CFEDHN C=C(C)CCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000352122832 394011464 /nfs/dbraw/zinc/01/14/64/394011464.db2.gz IXXRYFMHDIQJCI-HNNXBMFYSA-N 0 3 258.365 2.516 20 30 CFEDHN C#C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000281958639 394101202 /nfs/dbraw/zinc/10/12/02/394101202.db2.gz INUMKZNNILYYBR-QGZVFWFLSA-N 0 3 284.403 2.670 20 30 CFEDHN C[C@H]1COCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000277547100 394056868 /nfs/dbraw/zinc/05/68/68/394056868.db2.gz SMRSRKJMISIHAW-WFASDCNBSA-N 0 3 263.768 2.706 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000355261520 394061265 /nfs/dbraw/zinc/06/12/65/394061265.db2.gz CVSSFHIHOSZORP-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278753525 394062906 /nfs/dbraw/zinc/06/29/06/394062906.db2.gz OCBUCJMDHDRHCT-HOTGVXAUSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)C(C)(C)c2ccccc2)C1=O ZINC000281969171 394102812 /nfs/dbraw/zinc/10/28/12/394102812.db2.gz KZJGORXQYNSDNP-HOCLYGCPSA-N 0 3 286.419 2.729 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2)C2CC2)C1=O ZINC000281969137 394102826 /nfs/dbraw/zinc/10/28/26/394102826.db2.gz KYZJWEVOOPVOED-CVEARBPZSA-N 0 3 270.376 2.514 20 30 CFEDHN CC(C#N)C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000358897674 394115163 /nfs/dbraw/zinc/11/51/63/394115163.db2.gz NGZXORXSHIZGSE-JTQLQIEISA-N 0 3 266.291 2.563 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000358972108 394118016 /nfs/dbraw/zinc/11/80/16/394118016.db2.gz GMHSBHQBQUUOLU-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000359191686 394126673 /nfs/dbraw/zinc/12/66/73/394126673.db2.gz JAMTWCDDSNHOLL-OKILXGFUSA-N 0 3 252.402 2.722 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000493025434 394128480 /nfs/dbraw/zinc/12/84/80/394128480.db2.gz OXROXPTZFVRXND-IJDCCNJMSA-N 0 3 297.402 2.560 20 30 CFEDHN C=CCN1CCC(NC(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000359475267 394135571 /nfs/dbraw/zinc/13/55/71/394135571.db2.gz RFZCOZCZTZCJKG-UHFFFAOYSA-N 0 3 292.345 2.732 20 30 CFEDHN CC(C)(C#N)CCCN[C@H](CO)c1cccc(F)c1 ZINC000359533907 394136853 /nfs/dbraw/zinc/13/68/53/394136853.db2.gz ZPWZPZGNXBOZDF-CQSZACIVSA-N 0 3 264.344 2.779 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cccc(Cn3cccn3)c2)C1 ZINC000442708598 394139147 /nfs/dbraw/zinc/13/91/47/394139147.db2.gz JUBLLWLCWOSXAD-WMLDXEAASA-N 0 3 280.375 2.713 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(Cl)cc2c1OCC2 ZINC000361044350 394163631 /nfs/dbraw/zinc/16/36/31/394163631.db2.gz SXVLADAIHMDPGD-NSHDSACASA-N 0 3 281.783 2.549 20 30 CFEDHN CC1(C)[C@@H](O)CCN1Cc1cccc(OCCCC#N)c1 ZINC000361066044 394163932 /nfs/dbraw/zinc/16/39/32/394163932.db2.gz MSJIUXLKWKHTRU-INIZCTEOSA-N 0 3 288.391 2.714 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000285910713 394165183 /nfs/dbraw/zinc/16/51/83/394165183.db2.gz VXIAASQIOCUSCX-WMLDXEAASA-N 0 3 287.407 2.563 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](CCO)CC2)c1 ZINC000421044640 394169162 /nfs/dbraw/zinc/16/91/62/394169162.db2.gz SUEDULNHQNMNGG-CQSZACIVSA-N 0 3 258.365 2.543 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H]1CCc2ccc(OC)cc2C1 ZINC000133255399 394172580 /nfs/dbraw/zinc/17/25/80/394172580.db2.gz OIEDYBSXBQIFBD-LSDHHAIUSA-N 0 3 258.365 2.834 20 30 CFEDHN COC[C@@H](CC(C)C)NCc1ccc(C#N)s1 ZINC000421354882 394197342 /nfs/dbraw/zinc/19/73/42/394197342.db2.gz XQCYCXAITNXGTR-LLVKDONJSA-N 0 3 252.383 2.770 20 30 CFEDHN C=CCN1CCC(N[C@H]2CCCc3cccnc32)CC1 ZINC000684954556 542876810 /nfs/dbraw/zinc/87/68/10/542876810.db2.gz ASGLKJDVBCPIGI-INIZCTEOSA-N 0 3 271.408 2.699 20 30 CFEDHN CC(C)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000134980395 394207661 /nfs/dbraw/zinc/20/76/61/394207661.db2.gz MLVSAAQYMYWBLQ-DZGCQCFKSA-N 0 3 285.391 2.863 20 30 CFEDHN CC[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000449124349 394221262 /nfs/dbraw/zinc/22/12/62/394221262.db2.gz GJFMOFYNTZADPR-KGLIPLIRSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCC[C@H](NCC1(C(N)=O)CCCC1)c1ccco1 ZINC000286082299 394189378 /nfs/dbraw/zinc/18/93/78/394189378.db2.gz MIMUSYINWAETDM-ZDUSSCGKSA-N 0 3 276.380 2.922 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)[C@H]1SC ZINC000421349378 394194241 /nfs/dbraw/zinc/19/42/41/394194241.db2.gz IPKCHEHYULSPGQ-JHJVBQTASA-N 0 3 282.434 2.618 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCC2 ZINC000286239726 394195529 /nfs/dbraw/zinc/19/55/29/394195529.db2.gz FFYYKROSEDNHKO-XJKSGUPXSA-N 0 3 296.418 2.505 20 30 CFEDHN CC(C)CC[C@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000421352346 394195606 /nfs/dbraw/zinc/19/56/06/394195606.db2.gz DCSLJHSOLZNEKH-INIZCTEOSA-N 0 3 278.371 2.974 20 30 CFEDHN CN(Cc1ccc(C#N)cc1F)C1CCC(CO)CC1 ZINC000156259318 394331298 /nfs/dbraw/zinc/33/12/98/394331298.db2.gz XUTPDIGHHYOVNI-UHFFFAOYSA-N 0 3 276.355 2.680 20 30 CFEDHN CC(C)[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000292481360 394274358 /nfs/dbraw/zinc/27/43/58/394274358.db2.gz ALOVTKGOWLTRTC-MRXNPFEDSA-N 0 3 258.365 2.540 20 30 CFEDHN CC(C)CN1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000369693965 394281690 /nfs/dbraw/zinc/28/16/90/394281690.db2.gz BBGKCYYEBNHFNI-UHFFFAOYSA-N 0 3 298.843 2.836 20 30 CFEDHN C[C@@H](NC[C@H](O)C1CCC1)c1ccc(C#N)cc1F ZINC000453365089 394390975 /nfs/dbraw/zinc/39/09/75/394390975.db2.gz CQYYVBCWIRLSCC-BMIGLBTASA-N 0 3 262.328 2.509 20 30 CFEDHN C=CCCCN(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000157117802 394342039 /nfs/dbraw/zinc/34/20/39/394342039.db2.gz JFVSBZUWTZTPBA-DZGCQCFKSA-N 0 3 260.381 2.747 20 30 CFEDHN COCC1(NCc2ccc(C#N)c(F)c2)CCCC1 ZINC000520253959 394379592 /nfs/dbraw/zinc/37/95/92/394379592.db2.gz FSNAFTHEPNFOAY-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC000174704054 394379591 /nfs/dbraw/zinc/37/95/91/394379591.db2.gz GIXVZDRWHMWJBV-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)[C@@H](C)CN1C ZINC000525958517 394384103 /nfs/dbraw/zinc/38/41/03/394384103.db2.gz YSKQCFPRSUOPSP-OLZOCXBDSA-N 0 3 280.375 2.635 20 30 CFEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000453317733 394384779 /nfs/dbraw/zinc/38/47/79/394384779.db2.gz AMHHDSMURAYRIR-VCTAVGKDSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@@H](NC[C@@H]1CCC[C@H]1O)c1ccc(C#N)cc1F ZINC000453388811 394394825 /nfs/dbraw/zinc/39/48/25/394394825.db2.gz RAOPVUKRJXENCA-IFUGULHKSA-N 0 3 262.328 2.509 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000171512448 335067959 /nfs/dbraw/zinc/06/79/59/335067959.db2.gz YUFYBLFTPXLGCY-DLBZAZTESA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000171512434 335067969 /nfs/dbraw/zinc/06/79/69/335067969.db2.gz YUFYBLFTPXLGCY-SJORKVTESA-N 0 3 290.451 2.663 20 30 CFEDHN CC[C@@H]1CC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000558273915 395056876 /nfs/dbraw/zinc/05/68/76/395056876.db2.gz WNEXFLULWFTALN-OIISXLGYSA-N 0 3 297.402 2.832 20 30 CFEDHN COCC#CCN1CCC2(CC1)c1ccccc1N=C2C ZINC000639715975 395148820 /nfs/dbraw/zinc/14/88/20/395148820.db2.gz VIGSJWVCSLERQV-UHFFFAOYSA-N 0 3 282.387 2.776 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc2cc(Cl)cnc2o1 ZINC000648491848 395172680 /nfs/dbraw/zinc/17/26/80/395172680.db2.gz XRUQNMJKFKUVGU-SNVBAGLBSA-N 0 3 280.755 2.755 20 30 CFEDHN C=CCOCCNCc1cn(C)nc1-c1ccc(F)cc1 ZINC000648509954 395178447 /nfs/dbraw/zinc/17/84/47/395178447.db2.gz LBGWYFHCCDZKEB-UHFFFAOYSA-N 0 3 289.354 2.518 20 30 CFEDHN C=CCOCCNCc1ccccc1OC(F)F ZINC000385486973 543101915 /nfs/dbraw/zinc/10/19/15/543101915.db2.gz PHZUXJYLJQBNFH-UHFFFAOYSA-N 0 3 257.280 2.580 20 30 CFEDHN C=CCOCCNCc1ccc(Br)s1 ZINC000388848246 543104349 /nfs/dbraw/zinc/10/43/49/543104349.db2.gz ZEFDPOPGLLAUCG-UHFFFAOYSA-N 0 3 276.199 2.803 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2cc(Cl)cn2C)n1 ZINC000041517920 397554540 /nfs/dbraw/zinc/55/45/40/397554540.db2.gz XTZMANAAYXXEEY-SECBINFHSA-N 0 3 279.752 2.934 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000044809144 397568800 /nfs/dbraw/zinc/56/88/00/397568800.db2.gz ULLPZKSOAFFETA-NUOQBOJZSA-N 0 3 260.381 2.867 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(C)cc1C ZINC000046342207 397581154 /nfs/dbraw/zinc/58/11/54/397581154.db2.gz QIPCMPOYMAEDMD-MRXNPFEDSA-N 0 3 277.408 2.941 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177544615 397609112 /nfs/dbraw/zinc/60/91/12/397609112.db2.gz CVAQCLXUFXTNQP-HLLBOEOZSA-N 0 3 299.418 2.625 20 30 CFEDHN CC(C)[C@@H]1OCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352850956 397658664 /nfs/dbraw/zinc/65/86/64/397658664.db2.gz YNGQHSDTWGIOHO-FZMZJTMJSA-N 0 3 279.409 2.556 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC(C)C)c1ccc(F)cc1 ZINC000652180851 397720716 /nfs/dbraw/zinc/72/07/16/397720716.db2.gz IEITUWLHKLWOIP-OAHLLOKOSA-N 0 3 278.371 2.805 20 30 CFEDHN C=C(C)[C@H](NCCc1cn[nH]n1)c1ccc(F)c(F)c1 ZINC000660312525 413237778 /nfs/dbraw/zinc/23/77/78/413237778.db2.gz RIEIUVJMAADMQV-AWEZNQCLSA-N 0 3 278.306 2.532 20 30 CFEDHN C/C=C\C[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356422090 155260719 /nfs/dbraw/zinc/26/07/19/155260719.db2.gz UNBRPKBUAMOIKF-ZRMMWKCHSA-N 0 3 298.308 2.994 20 30 CFEDHN C=CCN(C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660327244 413245030 /nfs/dbraw/zinc/24/50/30/413245030.db2.gz AYWTVFOGGVMZOR-ZDUSSCGKSA-N 0 3 262.378 2.607 20 30 CFEDHN COc1ccc(C#N)cc1CN([C@@H](C)CO)C1CCCC1 ZINC000347226113 286270741 /nfs/dbraw/zinc/27/07/41/286270741.db2.gz MDQBXSRMGWGKSG-ZDUSSCGKSA-N 0 3 288.391 2.692 20 30 CFEDHN COC1(CN[C@@H](C)c2ccc(C#N)c(F)c2)CCC1 ZINC000356847030 155393018 /nfs/dbraw/zinc/39/30/18/155393018.db2.gz NPOMZPGRFKHBEM-NSHDSACASA-N 0 3 262.328 2.917 20 30 CFEDHN CCN1CCN(c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000343262034 154159439 /nfs/dbraw/zinc/15/94/39/154159439.db2.gz GGRYTVMSHBCSGW-NSHDSACASA-N 0 3 263.772 2.742 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)N1CCCC[C@@H]1C ZINC000343281404 154165783 /nfs/dbraw/zinc/16/57/83/154165783.db2.gz CKEONMVQCCWZNJ-QWHCGFSZSA-N 0 3 277.437 2.972 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2cccnc2)s1 ZINC000343387285 154194008 /nfs/dbraw/zinc/19/40/08/154194008.db2.gz MWOBPYVVYXVUSB-GJZGRUSLSA-N 0 3 285.372 2.635 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000345689034 154240263 /nfs/dbraw/zinc/24/02/63/154240263.db2.gz FKYRKWGILMSCNY-TVYUQYBPSA-N 0 3 264.394 2.769 20 30 CFEDHN CC(C)(C)CC[C@H](CO)NCc1ccc(C#N)cc1F ZINC000355726673 155066586 /nfs/dbraw/zinc/06/65/86/155066586.db2.gz IMBKCJMXFJPPHQ-CQSZACIVSA-N 0 3 278.371 2.974 20 30 CFEDHN CC(C)(C)CC[C@H](CO)NCc1ccc(C#N)s1 ZINC000355734248 155069156 /nfs/dbraw/zinc/06/91/56/155069156.db2.gz RCWRHHYLTBXSPE-LLVKDONJSA-N 0 3 266.410 2.897 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000355780452 155085167 /nfs/dbraw/zinc/08/51/67/155085167.db2.gz WEZAELWWLVXGKK-RISCZKNCSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000358569172 155805861 /nfs/dbraw/zinc/80/58/61/155805861.db2.gz LUINBYHUHUGMOS-HNHYXYPQSA-N 0 3 274.339 2.915 20 30 CFEDHN CN(Cc1ccc(C#N)o1)C1CCN(c2ccccn2)CC1 ZINC000367424106 156328715 /nfs/dbraw/zinc/32/87/15/156328715.db2.gz ZPVLGJAUENAPJU-UHFFFAOYSA-N 0 3 296.374 2.647 20 30 CFEDHN C=CCCn1cc(CN(CCC)CC(C)C)nn1 ZINC000653514048 413343681 /nfs/dbraw/zinc/34/36/81/413343681.db2.gz LJNSPQAOTSQYIC-UHFFFAOYSA-N 0 3 250.390 2.722 20 30 CFEDHN N#Cc1cccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000375037483 157186813 /nfs/dbraw/zinc/18/68/13/157186813.db2.gz JHRVOCGBYBBWBO-GOSISDBHSA-N 0 3 296.345 2.791 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000375374561 157235241 /nfs/dbraw/zinc/23/52/41/157235241.db2.gz YJWRSROOOFEYQY-DOTOQJQBSA-N 0 3 286.375 2.710 20 30 CFEDHN COC[C@H]1CCCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000376371415 157347159 /nfs/dbraw/zinc/34/71/59/157347159.db2.gz UQSWOOIOTLTZDL-HNNXBMFYSA-N 0 3 288.391 2.815 20 30 CFEDHN C=CCCn1cc(CN2C[C@@H](C)CCC[C@@H]2C)nn1 ZINC000653559135 413367845 /nfs/dbraw/zinc/36/78/45/413367845.db2.gz KKEXAXBEYZMUDG-KBPBESRZSA-N 0 3 262.401 2.865 20 30 CFEDHN C=CCCC[C@@H](C)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602723 413426907 /nfs/dbraw/zinc/42/69/07/413426907.db2.gz WZEXZBUMOAVXEE-ZBFHGGJFSA-N 0 3 291.439 2.958 20 30 CFEDHN C=CCCn1cc(CN(CC2CC2)CC2CCC2)nn1 ZINC000653654591 413429742 /nfs/dbraw/zinc/42/97/42/413429742.db2.gz YJKLOJAOBIQVHH-UHFFFAOYSA-N 0 3 274.412 2.866 20 30 CFEDHN COC(=O)c1coc([C@@H](C)NCCc2cccc(C#N)c2)c1 ZINC000343533424 161794429 /nfs/dbraw/zinc/79/44/29/161794429.db2.gz LSXUXIDKQWKOGX-GFCCVEGCSA-N 0 3 298.342 2.831 20 30 CFEDHN CC[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280889503 286904604 /nfs/dbraw/zinc/90/46/04/286904604.db2.gz BLHYWEWBEITFFF-FOIQADDNSA-N 0 3 290.432 2.900 20 30 CFEDHN COCC[C@@H](Cc1ccco1)NCc1cc(C#N)cs1 ZINC000344327227 162011875 /nfs/dbraw/zinc/01/18/75/162011875.db2.gz OQUYJYBBFDXINW-ZDUSSCGKSA-N 0 3 290.388 2.950 20 30 CFEDHN N#Cc1csc(CNC[C@H](O)CCc2ccccc2)c1 ZINC000344357426 162021515 /nfs/dbraw/zinc/02/15/15/162021515.db2.gz YGWKHMYZCSAHPC-OAHLLOKOSA-N 0 3 286.400 2.703 20 30 CFEDHN Cc1ccoc1CNCCOc1ccc(C#N)cc1 ZINC000344614906 162080508 /nfs/dbraw/zinc/08/05/08/162080508.db2.gz QNJIWXULIFATES-UHFFFAOYSA-N 0 3 256.305 2.628 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(C#N)cc1)N1CCCC[C@@H]1C ZINC000344620723 162082099 /nfs/dbraw/zinc/08/20/99/162082099.db2.gz PWEZPTMDAFORRT-UONOGXRCSA-N 0 3 285.391 2.551 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344645729 162089664 /nfs/dbraw/zinc/08/96/64/162089664.db2.gz PWELHNYNFOAZII-INIZCTEOSA-N 0 3 299.418 2.717 20 30 CFEDHN C[C@H]1CCCC[C@H]1CN1CCN(c2ncccc2C#N)CC1 ZINC000346139466 162329652 /nfs/dbraw/zinc/32/96/52/162329652.db2.gz VNOOVABXHRPRLX-RDJZCZTQSA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@@H](N[C@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000346154370 162334869 /nfs/dbraw/zinc/33/48/69/162334869.db2.gz GDSMLZJTQJIZCC-RISCZKNCSA-N 0 3 273.355 2.585 20 30 CFEDHN C[C@@H](NCC[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000346864219 162540414 /nfs/dbraw/zinc/54/04/14/162540414.db2.gz MJKBXCNBGVAORH-NEPJUHHUSA-N 0 3 262.328 2.775 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(C#N)cs1 ZINC000350003470 163049915 /nfs/dbraw/zinc/04/99/15/163049915.db2.gz AXTXXQNKMMZEIY-ZFWWWQNUSA-N 0 3 292.404 2.831 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCC(F)(F)C2)n1 ZINC000352875300 163256806 /nfs/dbraw/zinc/25/68/06/163256806.db2.gz YAPNXJKLLCBOCA-MRVPVSSYSA-N 0 3 257.309 2.540 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](COC(F)F)C2)cc1 ZINC000353020328 163288725 /nfs/dbraw/zinc/28/87/25/163288725.db2.gz AFUYOVAAZIMVOC-ZDUSSCGKSA-N 0 3 266.291 2.619 20 30 CFEDHN COc1cc(CNCc2cccc3nccn32)ccc1C#N ZINC000353208209 163316899 /nfs/dbraw/zinc/31/68/99/163316899.db2.gz IOOGOHHXQIPVQS-UHFFFAOYSA-N 0 3 292.342 2.504 20 30 CFEDHN C[C@H](N[C@H](CO)C1CCCC1)c1ccc(C#N)cc1F ZINC000353499708 163379010 /nfs/dbraw/zinc/37/90/10/163379010.db2.gz WXXODLDCNCQKBU-MEDUHNTESA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000123021625 287040667 /nfs/dbraw/zinc/04/06/67/287040667.db2.gz DDUWMIFXEYCPJC-GFCCVEGCSA-N 0 3 294.358 2.900 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCOC2=O)CC1 ZINC000371158937 287130835 /nfs/dbraw/zinc/13/08/35/287130835.db2.gz YANIPAFWIBIWOG-ZDUSSCGKSA-N 0 3 284.359 2.648 20 30 CFEDHN CN(CCc1cscn1)Cc1ccc(C#N)cc1 ZINC000284446566 196057022 /nfs/dbraw/zinc/05/70/22/196057022.db2.gz ZTORLQXPSQMRRY-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C(C)(C)CC)CC1 ZINC000660704300 413508654 /nfs/dbraw/zinc/50/86/54/413508654.db2.gz BUFWYVOUWJEZSV-ZDUSSCGKSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](c2cccnc2)C(C)C)nn1 ZINC000657390916 413542295 /nfs/dbraw/zinc/54/22/95/413542295.db2.gz KLBOUBGXASZNJB-QGZVFWFLSA-N 0 3 299.422 2.779 20 30 CFEDHN C=CCCOCCNCc1cc(COC)cs1 ZINC000657418270 413577750 /nfs/dbraw/zinc/57/77/50/413577750.db2.gz CLPWBSASPOTQNB-UHFFFAOYSA-N 0 3 255.383 2.577 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000651763655 413624108 /nfs/dbraw/zinc/62/41/08/413624108.db2.gz GSWUXEVZHQAENW-DFBGVHRSSA-N 0 3 276.355 2.687 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2ncnn2C(C)(C)C)C1 ZINC000651794895 413645383 /nfs/dbraw/zinc/64/53/83/413645383.db2.gz FVIBPJGCHFBZKX-STQMWFEESA-N 0 3 262.401 2.868 20 30 CFEDHN C=CC[C@H](CC)NCc1cnnn1-c1ccccc1 ZINC000651793291 413645513 /nfs/dbraw/zinc/64/55/13/413645513.db2.gz GIKPEKROYMRAJQ-ZDUSSCGKSA-N 0 3 256.353 2.712 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2ccc(OC)nc2OC)C1 ZINC000651815121 413659405 /nfs/dbraw/zinc/65/94/05/413659405.db2.gz XRANKHWYARKCJM-TZMCWYRMSA-N 0 3 276.380 2.933 20 30 CFEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc(-c3ccccn3)[n-]2)C1 ZINC000651825780 413669770 /nfs/dbraw/zinc/66/97/70/413669770.db2.gz VUMDXRFBTQNENV-OLZOCXBDSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cncc(Br)c1C ZINC000657485858 413673959 /nfs/dbraw/zinc/67/39/59/413673959.db2.gz SSSMCOCDVSUOLU-LBPRGKRZSA-N 0 3 299.212 2.569 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCCC(C)(C)C2)nn1 ZINC000657442002 413612787 /nfs/dbraw/zinc/61/27/87/413612787.db2.gz LSIVOKDJOUNXAN-ZDUSSCGKSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000660843841 413616540 /nfs/dbraw/zinc/61/65/40/413616540.db2.gz CLHMXYLUSHEPTA-OAGGEKHMSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000660858004 413619224 /nfs/dbraw/zinc/61/92/24/413619224.db2.gz AMAAJMCWTSLZCU-FPCVCCKLSA-N 0 3 293.455 2.903 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660991541 413698055 /nfs/dbraw/zinc/69/80/55/413698055.db2.gz LRIIYIAGHYFLCF-UONOGXRCSA-N 0 3 281.444 2.903 20 30 CFEDHN C=CCC1(NCc2ncc(CC)s2)CCOCC1 ZINC000657633130 413810313 /nfs/dbraw/zinc/81/03/13/413810313.db2.gz IFJLYYOWYZGFAW-UHFFFAOYSA-N 0 3 266.410 2.920 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(OC)no1 ZINC000661116542 413764943 /nfs/dbraw/zinc/76/49/43/413764943.db2.gz YURCKSLVHOBYNM-WCQYABFASA-N 0 3 250.342 2.908 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661121358 413768604 /nfs/dbraw/zinc/76/86/04/413768604.db2.gz CQVMYROMARAYFM-OLZOCXBDSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)C(C)(C)CC)nn1 ZINC000657579486 413771341 /nfs/dbraw/zinc/77/13/41/413771341.db2.gz PYPCHWIHKNXIHU-LBPRGKRZSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCOc1ccc(CNC/C=C/CO)cc1Cl ZINC000657591813 413776930 /nfs/dbraw/zinc/77/69/30/413776930.db2.gz AXALMNXNEGFPDO-ONEGZZNKSA-N 0 3 267.756 2.543 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H]1c1c(C)cccc1C ZINC000661134668 413778123 /nfs/dbraw/zinc/77/81/23/413778123.db2.gz SNZRVAOSILNTNX-HNNXBMFYSA-N 0 3 272.392 2.743 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000657704831 413873668 /nfs/dbraw/zinc/87/36/68/413873668.db2.gz VNZWHPHSONYSQS-HZPDHXFCSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000664630069 413876234 /nfs/dbraw/zinc/87/62/34/413876234.db2.gz PKXJTAAJNRFKPV-CYBMUJFWSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCOCCCNCc1nc2ccccc2n1CC ZINC000657657779 413824173 /nfs/dbraw/zinc/82/41/73/413824173.db2.gz CABAPJDRTLECQZ-UHFFFAOYSA-N 0 3 273.380 2.739 20 30 CFEDHN C=CCOCCCNCc1ccn(-c2ccccc2)n1 ZINC000657658095 413826025 /nfs/dbraw/zinc/82/60/25/413826025.db2.gz MDQZGUXVVREATP-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=CCOCCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000657658195 413826049 /nfs/dbraw/zinc/82/60/49/413826049.db2.gz OUTUBIJPKQMWHI-CYBMUJFWSA-N 0 3 291.391 2.701 20 30 CFEDHN C=CCOCCCNCc1nc2c(s1)CCCC2 ZINC000657658099 413828376 /nfs/dbraw/zinc/82/83/76/413828376.db2.gz MJUPGKUFFLKNFG-UHFFFAOYSA-N 0 3 266.410 2.704 20 30 CFEDHN C=CCN(CCc1noc2ccccc21)[C@@H](C)COC ZINC000661238421 413838110 /nfs/dbraw/zinc/83/81/10/413838110.db2.gz CFPNNTXXUCJADD-ZDUSSCGKSA-N 0 3 274.364 2.893 20 30 CFEDHN C=CCN(CCOCc1ccccc1)[C@H](C)COC ZINC000661238468 413838513 /nfs/dbraw/zinc/83/85/13/413838513.db2.gz CNOMNFRCJNKJIQ-OAHLLOKOSA-N 0 3 263.381 2.726 20 30 CFEDHN C=CCN(Cc1ccc(-n2cccn2)cc1)[C@H](C)COC ZINC000661242884 413845363 /nfs/dbraw/zinc/84/53/63/413845363.db2.gz GORSWZSOJIRBFG-OAHLLOKOSA-N 0 3 285.391 2.895 20 30 CFEDHN C=CCN(CCc1ccc(OC)cc1)[C@H](C)COC ZINC000661249086 413849350 /nfs/dbraw/zinc/84/93/50/413849350.db2.gz ZJVGIKUXNWHHMG-CQSZACIVSA-N 0 3 263.381 2.761 20 30 CFEDHN C=CCCCCCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000654667153 413953669 /nfs/dbraw/zinc/95/36/69/413953669.db2.gz YLHCJRGUPIBOTN-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000661378344 413936852 /nfs/dbraw/zinc/93/68/52/413936852.db2.gz CYXSNZLZQKNVII-CQSZACIVSA-N 0 3 290.382 2.730 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000661378557 413938330 /nfs/dbraw/zinc/93/83/30/413938330.db2.gz IZKAZJQNUGVWSF-OLZOCXBDSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000661376698 413939014 /nfs/dbraw/zinc/93/90/14/413939014.db2.gz FSVMWMGRMQVDQC-INIZCTEOSA-N 0 3 286.419 2.933 20 30 CFEDHN C[C@@H]1CCCN(CC#Cc2ccccc2)[C@H]1CCO ZINC000661502243 414017264 /nfs/dbraw/zinc/01/72/64/414017264.db2.gz ZENBDIAVVCLYBB-WBVHZDCISA-N 0 3 257.377 2.521 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654724291 413979013 /nfs/dbraw/zinc/97/90/13/413979013.db2.gz BMSOROMSLGCVBT-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1-c1ccccc1 ZINC000657855493 414003552 /nfs/dbraw/zinc/00/35/52/414003552.db2.gz DUJRKSQCTGCWNY-ZBFHGGJFSA-N 0 3 297.406 2.887 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)c1cc(C#N)ccc1Cl ZINC000285635345 196351670 /nfs/dbraw/zinc/35/16/70/196351670.db2.gz AZHABYOKWQEHPY-UHFFFAOYSA-N 0 3 293.798 2.624 20 30 CFEDHN C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000285773248 196393972 /nfs/dbraw/zinc/39/39/72/196393972.db2.gz UCJSGBKQABJUPV-SRCQZFHVSA-N 0 3 299.418 2.902 20 30 CFEDHN O[C@]1(C2CC2)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000661631297 414099670 /nfs/dbraw/zinc/09/96/70/414099670.db2.gz ZHGLRPGFWFZLBX-QGZVFWFLSA-N 0 3 289.806 2.928 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000658027090 414111981 /nfs/dbraw/zinc/11/19/81/414111981.db2.gz KIEQHUIUVMIJDG-WCQYABFASA-N 0 3 260.385 2.907 20 30 CFEDHN C=CCCN[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000658115256 414213986 /nfs/dbraw/zinc/21/39/86/414213986.db2.gz ACSINPSSLSMNLD-CVEARBPZSA-N 0 3 294.826 2.877 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)CN(C)C ZINC000665385577 414314874 /nfs/dbraw/zinc/31/48/74/414314874.db2.gz GKNJPLNOTDSPEV-ZIAGYGMSSA-N 0 3 281.444 2.761 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@H]3COC[C@H]3C2)c1 ZINC000662037654 414372646 /nfs/dbraw/zinc/37/26/46/414372646.db2.gz WUEBKCHZBRPGHC-LSDHHAIUSA-N 0 3 275.779 2.660 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC2(CCc3ccccc3O2)CC1 ZINC000662048713 414385037 /nfs/dbraw/zinc/38/50/37/414385037.db2.gz BLNNFDFVTJXTQE-INIZCTEOSA-N 0 3 287.403 2.783 20 30 CFEDHN C=C[C@H](CO)NCc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000662168290 414441474 /nfs/dbraw/zinc/44/14/74/414441474.db2.gz AJLKUBNYIBIVHM-GXFFZTMASA-N 0 3 273.298 2.989 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000662079303 414397656 /nfs/dbraw/zinc/39/76/56/414397656.db2.gz MFYBARWASMJUQQ-FPCVCCKLSA-N 0 3 276.424 2.959 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCC[C@H]1CC ZINC000662078417 414398454 /nfs/dbraw/zinc/39/84/54/414398454.db2.gz BRKBFYDFHDLHHL-OAGGEKHMSA-N 0 3 276.424 2.961 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N[C@H](C)CCC ZINC000662080321 414398613 /nfs/dbraw/zinc/39/86/13/414398613.db2.gz OLQNLBUJGTYZCI-BARDWOONSA-N 0 3 264.413 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCCCC1 ZINC000662079433 414399170 /nfs/dbraw/zinc/39/91/70/414399170.db2.gz GDKICLCQQLRTNV-SOUVJXGZSA-N 0 3 262.397 2.570 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)n2cccc(C)c2n1 ZINC000662086437 414401546 /nfs/dbraw/zinc/40/15/46/414401546.db2.gz SDCJAUUMYVISDI-IYBDPMFKSA-N 0 3 295.386 2.686 20 30 CFEDHN COCC1(NCC#Cc2ccccc2)CCCCC1 ZINC000662339989 414511515 /nfs/dbraw/zinc/51/15/15/414511515.db2.gz SZHOYVUCCRQSMD-UHFFFAOYSA-N 0 3 257.377 2.977 20 30 CFEDHN C=CCC1(NC(=O)NC[C@H](N)c2ccccc2)CCCC1 ZINC000659520807 414529127 /nfs/dbraw/zinc/52/91/27/414529127.db2.gz UZWUHJFKFUVPPV-HNNXBMFYSA-N 0 3 287.407 2.875 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H](CO)C(=C)C ZINC000662527923 414559532 /nfs/dbraw/zinc/55/95/32/414559532.db2.gz BIELPWYXQOYTBZ-INIZCTEOSA-N 0 3 261.365 2.620 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC(C)C)C2CC2)CC1 ZINC000171607171 335072487 /nfs/dbraw/zinc/07/24/87/335072487.db2.gz MVGIQTWPVDPWSM-UHFFFAOYSA-N 0 3 293.455 2.857 20 30 CFEDHN N#Cc1nccnc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000072082110 176313313 /nfs/dbraw/zinc/31/33/13/176313313.db2.gz VWDIYSCJZVWDCH-ZDUSSCGKSA-N 0 3 299.403 2.659 20 30 CFEDHN COCCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000353855464 225136508 /nfs/dbraw/zinc/13/65/08/225136508.db2.gz NGFZZRASONWJQI-CVEARBPZSA-N 0 3 288.391 2.884 20 30 CFEDHN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1ccccn1 ZINC000344858250 225203987 /nfs/dbraw/zinc/20/39/87/225203987.db2.gz ZCVMRWQLXQBZEE-LLVKDONJSA-N 0 3 291.232 2.985 20 30 CFEDHN Cc1cc(CNC(=O)C(C)C#N)ccc1Br ZINC000334744642 225299728 /nfs/dbraw/zinc/29/97/28/225299728.db2.gz YCDMXCDXCOFBJH-VIFPVBQESA-N 0 3 281.153 2.533 20 30 CFEDHN CC(C#N)C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000347103227 226049667 /nfs/dbraw/zinc/04/96/67/226049667.db2.gz ITXIFUIEQZTHMO-CJNGLKHVSA-N 0 3 286.375 2.747 20 30 CFEDHN Cn1nccc1[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000367007171 226376054 /nfs/dbraw/zinc/37/60/54/226376054.db2.gz NCUOYFQYZATLNG-CYBMUJFWSA-N 0 3 260.385 2.539 20 30 CFEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)NC1CCCC1 ZINC000329261658 227391245 /nfs/dbraw/zinc/39/12/45/227391245.db2.gz FXJMSEXKXFSCIG-SCUASFONSA-N 0 3 280.412 2.677 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)c3ccccc32)CC1 ZINC000171739698 335076557 /nfs/dbraw/zinc/07/65/57/335076557.db2.gz RTWWBZLXFQDBFM-CQSZACIVSA-N 0 3 299.418 2.970 20 30 CFEDHN N#CC(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccncn1 ZINC000354470510 227006870 /nfs/dbraw/zinc/00/68/70/227006870.db2.gz SANQESBBCQIOSS-AWEZNQCLSA-N 0 3 288.310 2.522 20 30 CFEDHN N#CC[C@H](CC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000354598492 227046306 /nfs/dbraw/zinc/04/63/06/227046306.db2.gz KPBLYOQWYVFGPQ-QGZVFWFLSA-N 0 3 299.418 2.676 20 30 CFEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000352698696 227165352 /nfs/dbraw/zinc/16/53/52/227165352.db2.gz WQYYDXXMHSRPMG-IKGGRYGDSA-N 0 3 282.387 2.795 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1c2ccccc2CCC[C@@H]1C ZINC000331410753 228098535 /nfs/dbraw/zinc/09/85/35/228098535.db2.gz JJVLIFAUSZYMEZ-ZOWXZIJZSA-N 0 3 256.349 2.976 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1C#N ZINC000330219283 228069935 /nfs/dbraw/zinc/06/99/35/228069935.db2.gz KAKVEGUNFHGKQN-XZJROXQQSA-N 0 3 299.374 2.692 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(F)c1 ZINC000330259842 228084071 /nfs/dbraw/zinc/08/40/71/228084071.db2.gz NTVVPZBKSRJQKO-COLVAYQJSA-N 0 3 292.354 2.959 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3cc[nH]c3n2)C1 ZINC000353611919 228131143 /nfs/dbraw/zinc/13/11/43/228131143.db2.gz PNXOQLJATRZZTB-YPMHNXCESA-N 0 3 254.337 2.735 20 30 CFEDHN COc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1O ZINC000353635099 228136460 /nfs/dbraw/zinc/13/64/60/228136460.db2.gz MNVFJBDKXSFSAY-LLVKDONJSA-N 0 3 260.337 2.745 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000332673042 228164885 /nfs/dbraw/zinc/16/48/85/228164885.db2.gz JAQFKVHWRHVSQV-RBZYPMLTSA-N 0 3 260.312 2.725 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297514151 260128772 /nfs/dbraw/zinc/12/87/72/260128772.db2.gz MNCPOYNTCUGOPI-JKSUJKDBSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000312556591 260148403 /nfs/dbraw/zinc/14/84/03/260148403.db2.gz XVSLITDFCTVCNW-CQSZACIVSA-N 0 3 297.395 2.990 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1ccccc1 ZINC000107071248 260232228 /nfs/dbraw/zinc/23/22/28/260232228.db2.gz GUWZBZZHKBCCIE-HUUCEWRRSA-N 0 3 272.392 2.926 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000107070448 260232287 /nfs/dbraw/zinc/23/22/87/260232287.db2.gz GUWZBZZHKBCCIE-LSDHHAIUSA-N 0 3 272.392 2.926 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000107071877 260232377 /nfs/dbraw/zinc/23/23/77/260232377.db2.gz YRBSLUPEJPCXJL-ZIAGYGMSSA-N 0 3 260.381 2.645 20 30 CFEDHN C#CCCN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000363469156 260276947 /nfs/dbraw/zinc/27/69/47/260276947.db2.gz MZTSMHPOZNCQMD-JTQLQIEISA-N 0 3 271.286 2.631 20 30 CFEDHN Cc1cnn(CCCCCN(CCC#N)CC2CC2)c1 ZINC000081514761 260334015 /nfs/dbraw/zinc/33/40/15/260334015.db2.gz RDTSKNZUEGGJCV-UHFFFAOYSA-N 0 3 274.412 2.988 20 30 CFEDHN C=CCN1CC[C@@H](N(CCC)Cc2ccc(C)cc2)C1=O ZINC000518272545 260365662 /nfs/dbraw/zinc/36/56/62/260365662.db2.gz JRBLNGFXKVOPAP-QGZVFWFLSA-N 0 3 286.419 2.994 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000129592362 260387940 /nfs/dbraw/zinc/38/79/40/260387940.db2.gz KWPPQQHTEYXQNQ-HUUCEWRRSA-N 0 3 261.365 2.500 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N1CCC(C)CC1 ZINC000150891351 260588053 /nfs/dbraw/zinc/58/80/53/260588053.db2.gz PRDAHNAJAZHOLU-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN CC[C@@H](c1ccccc1OC)N(C)C(=O)C(C)C#N ZINC000360551277 261076298 /nfs/dbraw/zinc/07/62/98/261076298.db2.gz SSDCPDQPZUIIKK-AAEUAGOBSA-N 0 3 260.337 2.764 20 30 CFEDHN CC1CCN([C@H](CNC(=O)CC#N)c2cccs2)CC1 ZINC000153484877 261078636 /nfs/dbraw/zinc/07/86/36/261078636.db2.gz UPSQQAPCLKZYRP-CYBMUJFWSA-N 0 3 291.420 2.551 20 30 CFEDHN CC1CCN(CCN(CCC#N)Cc2ccco2)CC1 ZINC000154128228 261088198 /nfs/dbraw/zinc/08/81/98/261088198.db2.gz IOJLAWRGJLCBGC-UHFFFAOYSA-N 0 3 275.396 2.727 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cscn1)C(C)C ZINC000103205752 261277263 /nfs/dbraw/zinc/27/72/63/261277263.db2.gz XURVEHINNYKUHQ-AWEZNQCLSA-N 0 3 293.436 2.572 20 30 CFEDHN C#C[C@H](NCc1ccccc1-c1ccnn1C)C(C)C ZINC000491072640 261318969 /nfs/dbraw/zinc/31/89/69/261318969.db2.gz UVBHATCTSFIIRT-INIZCTEOSA-N 0 3 267.376 2.835 20 30 CFEDHN CC[C@@H](CC#N)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184092444 262008849 /nfs/dbraw/zinc/00/88/49/262008849.db2.gz LPFDDKOOOGKEQR-XIRDDKMYSA-N 0 3 271.408 2.789 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000368597407 262137908 /nfs/dbraw/zinc/13/79/08/262137908.db2.gz XIEVRNWKHYSNDF-NJAFHUGGSA-N 0 3 298.430 2.899 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000368597405 262137918 /nfs/dbraw/zinc/13/79/18/262137918.db2.gz XIEVRNWKHYSNDF-BPQIPLTHSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC)c1ccc(Cl)cc1 ZINC000120242046 262187991 /nfs/dbraw/zinc/18/79/91/262187991.db2.gz FNEZOTBSVBBUNX-CYBMUJFWSA-N 0 3 266.772 2.683 20 30 CFEDHN C[C@H](O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000192723859 262209448 /nfs/dbraw/zinc/20/94/48/262209448.db2.gz ZTDAKERMYAETNO-DUVNUKRYSA-N 0 3 258.365 2.912 20 30 CFEDHN C=CCCOCCNCc1ccc(-n2ccnc2)cc1 ZINC000120825223 262236080 /nfs/dbraw/zinc/23/60/80/262236080.db2.gz GSSYBAJZTCSDFC-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=CC1CCN(CC(=O)N(CC)CCCC)CC1 ZINC000111258216 262258709 /nfs/dbraw/zinc/25/87/09/262258709.db2.gz CERUFLVRCKDPLU-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000111260118 262264726 /nfs/dbraw/zinc/26/47/26/262264726.db2.gz NZCOPRYQSWZZQR-QWHCGFSZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC(F)(F)F)cc1 ZINC000184265317 262275248 /nfs/dbraw/zinc/27/52/48/262275248.db2.gz BEHQHJLWRJQKNG-NSHDSACASA-N 0 3 275.270 2.612 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(C(F)(F)F)c1 ZINC000184287723 262276866 /nfs/dbraw/zinc/27/68/66/262276866.db2.gz OZQXMHIIHLFXMJ-LBPRGKRZSA-N 0 3 259.271 2.732 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495875642 262319557 /nfs/dbraw/zinc/31/95/57/262319557.db2.gz OOXDRVPSEPRBMK-OLZOCXBDSA-N 0 3 281.400 2.620 20 30 CFEDHN C#CCN(C[C@H](O)CC(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000188875818 262323985 /nfs/dbraw/zinc/32/39/85/262323985.db2.gz WHSLZOURXPYFHX-UKRRQHHQSA-N 0 3 297.320 2.922 20 30 CFEDHN N#CCCCCN1CCC(Oc2ccccn2)CC1 ZINC000336799282 262397143 /nfs/dbraw/zinc/39/71/43/262397143.db2.gz ICAOEWRJNACTKI-UHFFFAOYSA-N 0 3 259.353 2.619 20 30 CFEDHN CC(C)OCCN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000336845382 262399061 /nfs/dbraw/zinc/39/90/61/262399061.db2.gz OGHIYZBIMAYUDT-UHFFFAOYSA-N 0 3 295.471 2.749 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337423083 262450748 /nfs/dbraw/zinc/45/07/48/262450748.db2.gz BWPLSZXDOBLLOU-CQSZACIVSA-N 0 3 260.381 2.714 20 30 CFEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CCCCN1CCCC ZINC000338423664 262535484 /nfs/dbraw/zinc/53/54/84/262535484.db2.gz MPNTYZMSCCUIPW-HZPDHXFCSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338663339 262553570 /nfs/dbraw/zinc/55/35/70/262553570.db2.gz OGEZIELCTMNWKV-GOEBONIOSA-N 0 3 272.392 2.904 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000366253992 262593539 /nfs/dbraw/zinc/59/35/39/262593539.db2.gz XNWSNPPLVCCCDR-INIZCTEOSA-N 0 3 299.418 2.505 20 30 CFEDHN C=CCOCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000339090392 262596578 /nfs/dbraw/zinc/59/65/78/262596578.db2.gz FVRYMUSBWDQDNE-KRWDZBQOSA-N 0 3 273.376 2.711 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339670341 262661146 /nfs/dbraw/zinc/66/11/46/262661146.db2.gz BGOCOSAIHKRZHP-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN N#CC1(CCN2CC[C@](O)(C(F)F)C2)CCCCC1 ZINC000411795080 262706715 /nfs/dbraw/zinc/70/67/15/262706715.db2.gz JPERNDPSSXTITD-CQSZACIVSA-N 0 3 272.339 2.552 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1cccc(-n2ccnn2)c1 ZINC000414171006 262813348 /nfs/dbraw/zinc/81/33/48/262813348.db2.gz UEUNYDVQUMRKEN-CYBMUJFWSA-N 0 3 283.379 2.858 20 30 CFEDHN C[C@H](NCCNc1ccccn1)c1ccc(OCC#N)cc1 ZINC000271890223 263000155 /nfs/dbraw/zinc/00/01/55/263000155.db2.gz RSDLXWHRWAWDSI-AWEZNQCLSA-N 0 3 296.374 2.747 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1C)C1CC1 ZINC000271996883 263001283 /nfs/dbraw/zinc/00/12/83/263001283.db2.gz HJSBJTVLYVWFID-GOSISDBHSA-N 0 3 299.418 2.798 20 30 CFEDHN COCc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000272563931 263006772 /nfs/dbraw/zinc/00/67/72/263006772.db2.gz UOVNWCLCZKLSEW-UHFFFAOYSA-N 0 3 258.365 2.959 20 30 CFEDHN N#CCCCNCc1c[nH]nc1-c1c(F)cccc1F ZINC000273107834 263012747 /nfs/dbraw/zinc/01/27/47/263012747.db2.gz WVHKHTMNVJTBPK-UHFFFAOYSA-N 0 3 276.290 2.748 20 30 CFEDHN N#CCCCNCc1ccc(OC(F)F)c(F)c1 ZINC000273118248 263012844 /nfs/dbraw/zinc/01/28/44/263012844.db2.gz YYEULFWJDZEDNC-UHFFFAOYSA-N 0 3 258.243 2.820 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000274225008 263022175 /nfs/dbraw/zinc/02/21/75/263022175.db2.gz QVXNQXSHTJEWHN-GUYCJALGSA-N 0 3 297.402 2.751 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274407635 263024020 /nfs/dbraw/zinc/02/40/20/263024020.db2.gz FYVDUIVQXZPLMY-QJPTWQEYSA-N 0 3 259.309 2.938 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000274618384 263027949 /nfs/dbraw/zinc/02/79/49/263027949.db2.gz LSJXHOVJEZUMRA-GUTXKFCHSA-N 0 3 281.363 2.610 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000275112006 263032461 /nfs/dbraw/zinc/03/24/61/263032461.db2.gz HIFSEDXTKVOFOF-KRWDZBQOSA-N 0 3 288.391 2.573 20 30 CFEDHN CC(C)(C/N=C/c1ccccc1[O-])C[NH+]1CCCC1 ZINC000276675229 263037838 /nfs/dbraw/zinc/03/78/38/263037838.db2.gz JTLYGBJQGXKQOU-GZTJUZNOSA-N 0 3 260.381 2.933 20 30 CFEDHN C[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279348072 263054750 /nfs/dbraw/zinc/05/47/50/263054750.db2.gz QFJWLXLNWHQVDF-YOEHRIQHSA-N 0 3 295.386 2.889 20 30 CFEDHN N#CCCn1cc(CN2CCCCC2)c(-c2ccncc2)n1 ZINC000279476792 263055599 /nfs/dbraw/zinc/05/55/99/263055599.db2.gz WIXCDHFMKYBNFY-UHFFFAOYSA-N 0 3 295.390 2.845 20 30 CFEDHN C[C@@H]1CCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279520224 263055937 /nfs/dbraw/zinc/05/59/37/263055937.db2.gz SNYGEWSWQDQRGR-CZUORRHYSA-N 0 3 281.359 2.642 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000279578939 263056268 /nfs/dbraw/zinc/05/62/68/263056268.db2.gz MTIQLECCLBJMOE-OLZOCXBDSA-N 0 3 269.352 2.610 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCCC2)cc1 ZINC000279748595 263057267 /nfs/dbraw/zinc/05/72/67/263057267.db2.gz PZDDNSJAPKQAHQ-INIZCTEOSA-N 0 3 281.359 2.547 20 30 CFEDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000280156764 263059392 /nfs/dbraw/zinc/05/93/92/263059392.db2.gz FAFMDAVIXOYJAA-MRXNPFEDSA-N 0 3 299.418 2.654 20 30 CFEDHN C[C@H]1CCCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174833 263059452 /nfs/dbraw/zinc/05/94/52/263059452.db2.gz XTEBJVXJRIOXSC-WMLDXEAASA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CC[C@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228275 263059884 /nfs/dbraw/zinc/05/98/84/263059884.db2.gz AXMNSXISAFNFOR-JKIFEVAISA-N 0 3 295.386 2.888 20 30 CFEDHN CC1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280822156 263064613 /nfs/dbraw/zinc/06/46/13/263064613.db2.gz HWVBKCXQDHIXCC-INIZCTEOSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000281456293 263069330 /nfs/dbraw/zinc/06/93/30/263069330.db2.gz FYUJRXQWZMTJAF-JKIFEVAISA-N 0 3 295.386 2.745 20 30 CFEDHN COCc1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000281757175 263071610 /nfs/dbraw/zinc/07/16/10/263071610.db2.gz RLOFBLVRAZDHKY-UHFFFAOYSA-N 0 3 262.353 2.846 20 30 CFEDHN C=CCSCCNCc1cnn(C(C)(C)C)c1 ZINC000105462415 263075312 /nfs/dbraw/zinc/07/53/12/263075312.db2.gz HNURZQPSDOHLRK-UHFFFAOYSA-N 0 3 253.415 2.647 20 30 CFEDHN CN1CC[C@H](NCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000284400501 263086690 /nfs/dbraw/zinc/08/66/90/263086690.db2.gz WIIFZANXRGLKJS-LSDHHAIUSA-N 0 3 279.334 2.603 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000285121612 263090198 /nfs/dbraw/zinc/09/01/98/263090198.db2.gz VPDFAVGWENLNHG-AEFFLSMTSA-N 0 3 299.418 2.880 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000285282050 263091847 /nfs/dbraw/zinc/09/18/47/263091847.db2.gz ZGRAFTMYIBRRBK-MRXNPFEDSA-N 0 3 289.379 2.505 20 30 CFEDHN CCCCCCCCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000285922971 263096522 /nfs/dbraw/zinc/09/65/22/263096522.db2.gz DWSIUCOSZMMNMT-GFCCVEGCSA-N 0 3 251.374 2.781 20 30 CFEDHN C[C@@H](C[NH+](C)C)/N=C/c1cc(Br)ccc1[O-] ZINC000286546914 263098867 /nfs/dbraw/zinc/09/88/67/263098867.db2.gz PUYIOQRTLRVEPO-DUJAKZANSA-N 0 3 285.185 2.524 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000288251435 263103894 /nfs/dbraw/zinc/10/38/94/263103894.db2.gz OTPZGSCPAURIPV-ZBFHGGJFSA-N 0 3 299.418 2.705 20 30 CFEDHN C=CCC[C@@H](N[C@@H](CCO)CSC)c1ccco1 ZINC000353514522 263107707 /nfs/dbraw/zinc/10/77/07/263107707.db2.gz HEZFUKUYAZXNSP-QWHCGFSZSA-N 0 3 269.410 2.991 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000289505847 263110640 /nfs/dbraw/zinc/11/06/40/263110640.db2.gz CRRZYQNOQYNGTA-HNNXBMFYSA-N 0 3 282.391 2.809 20 30 CFEDHN C=CCN(CCOC)Cc1ccccc1-c1ccnn1C ZINC000353206146 263117245 /nfs/dbraw/zinc/11/72/45/263117245.db2.gz MQQGNQBSNGXSJL-UHFFFAOYSA-N 0 3 285.391 2.722 20 30 CFEDHN COC(=O)c1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000292693536 263133781 /nfs/dbraw/zinc/13/37/81/263133781.db2.gz CSNOOVTYCWVIPT-DZGCQCFKSA-N 0 3 272.348 2.597 20 30 CFEDHN COC(=O)c1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000292693541 263133815 /nfs/dbraw/zinc/13/38/15/263133815.db2.gz CSNOOVTYCWVIPT-HIFRSBDPSA-N 0 3 272.348 2.597 20 30 CFEDHN CCN(CCOCCC#N)[C@@H](C)c1cccc(O)c1 ZINC000292913073 263136374 /nfs/dbraw/zinc/13/63/74/263136374.db2.gz XFXUGRYVPDDPHF-ZDUSSCGKSA-N 0 3 262.353 2.705 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293101139 263137983 /nfs/dbraw/zinc/13/79/83/263137983.db2.gz NVJCALIHFFYURT-NVXWUHKLSA-N 0 3 299.418 2.903 20 30 CFEDHN COc1ccccc1C[C@@H]1CCCN1CCOCCC#N ZINC000293129113 263138235 /nfs/dbraw/zinc/13/82/35/263138235.db2.gz PQPLYXZIYPHWBD-INIZCTEOSA-N 0 3 288.391 2.632 20 30 CFEDHN COc1ccc([C@H](C)N(C)CCOCCC#N)cc1 ZINC000293409141 263139894 /nfs/dbraw/zinc/13/98/94/263139894.db2.gz IBQGWKLUXOCGEM-ZDUSSCGKSA-N 0 3 262.353 2.618 20 30 CFEDHN COc1ccc([C@H]2CCCN2CCOCCC#N)cc1 ZINC000293408639 263139926 /nfs/dbraw/zinc/13/99/26/263139926.db2.gz HZIWXVQFTJXQKE-MRXNPFEDSA-N 0 3 274.364 2.762 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc2O1 ZINC000293509745 263142304 /nfs/dbraw/zinc/14/23/04/263142304.db2.gz HYWYTYSDLKVOFR-UMVBOHGHSA-N 0 3 256.349 2.962 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000452772506 263143885 /nfs/dbraw/zinc/14/38/85/263143885.db2.gz FPJJHNJIOLFSGM-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cc([C@H](NC(=O)C(C)C#N)C2CC2)ccc1F ZINC000340434012 263145147 /nfs/dbraw/zinc/14/51/47/263145147.db2.gz KXBHKXNJHILPAA-QMTHXVAHSA-N 0 3 260.312 2.861 20 30 CFEDHN C=CCN(CCC#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000293694075 263146977 /nfs/dbraw/zinc/14/69/77/263146977.db2.gz IBUFYZSNTMIHCD-UHFFFAOYSA-N 0 3 297.402 2.824 20 30 CFEDHN CC[C@H](NCCOCCC#N)c1cc(F)ccc1F ZINC000293908293 263152252 /nfs/dbraw/zinc/15/22/52/263152252.db2.gz WTUAAOCZPFBXBW-AWEZNQCLSA-N 0 3 268.307 2.936 20 30 CFEDHN CC[C@@](C)(O)CN(CCOCCC#N)Cc1ccccc1 ZINC000294533121 263163581 /nfs/dbraw/zinc/16/35/81/263163581.db2.gz JUWGYROVAJZDCM-QGZVFWFLSA-N 0 3 290.407 2.580 20 30 CFEDHN C#CCOc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000294930508 263169490 /nfs/dbraw/zinc/16/94/90/263169490.db2.gz GDSVQVIOERZLOC-HOTGVXAUSA-N 0 3 268.360 2.871 20 30 CFEDHN C[C@@]1(F)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000295413829 263177140 /nfs/dbraw/zinc/17/71/40/263177140.db2.gz CEKQQXIFKFIXNI-NVXWUHKLSA-N 0 3 299.349 2.591 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](CO)c1ccc(Br)cc1 ZINC000298559511 263221875 /nfs/dbraw/zinc/22/18/75/263221875.db2.gz ZULAGZDFZWGGJG-MFKMUULPSA-N 0 3 297.196 2.764 20 30 CFEDHN C#CCCOc1ccc(CN[C@H](CC)COC)cc1 ZINC000120224934 263284880 /nfs/dbraw/zinc/28/48/80/263284880.db2.gz PYJWUNUUOFGLJL-OAHLLOKOSA-N 0 3 261.365 2.603 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000120600437 263287656 /nfs/dbraw/zinc/28/76/56/263287656.db2.gz HGXUAJVVTJYXOH-IHRRRGAJSA-N 0 3 270.376 2.868 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1(C#N)CCCCC1 ZINC000341059019 263319901 /nfs/dbraw/zinc/31/99/01/263319901.db2.gz LWROFGQRVWSHSA-GASCZTMLSA-N 0 3 291.439 2.840 20 30 CFEDHN COCCN(CCCCC#N)Cc1cccs1 ZINC000341172955 263325469 /nfs/dbraw/zinc/32/54/69/263325469.db2.gz DRGKUSXPZCCPQK-UHFFFAOYSA-N 0 3 252.383 2.890 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000341431811 263337717 /nfs/dbraw/zinc/33/77/17/263337717.db2.gz KQJFTNNKKHFKFM-QMMMGPOBSA-N 0 3 265.300 2.794 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cccc(OC)c1OC(C)C ZINC000341277392 263330014 /nfs/dbraw/zinc/33/00/14/263330014.db2.gz AUVGBJYQAVGKPG-CQSZACIVSA-N 0 3 293.407 2.757 20 30 CFEDHN C=CC[C@H](CO)CNCc1cccc(OC)c1OC(C)C ZINC000341277389 263330045 /nfs/dbraw/zinc/33/00/45/263330045.db2.gz AUVGBJYQAVGKPG-AWEZNQCLSA-N 0 3 293.407 2.757 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC000341698395 263346816 /nfs/dbraw/zinc/34/68/16/263346816.db2.gz LPTVOJZUFTVYJH-ZDUSSCGKSA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000341786918 263351731 /nfs/dbraw/zinc/35/17/31/263351731.db2.gz FDFYDFMBVPETFU-ZQIUZPCESA-N 0 3 287.407 2.780 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000341878241 263362228 /nfs/dbraw/zinc/36/22/28/263362228.db2.gz MLNYVWXKTCUGNP-QAPCUYQASA-N 0 3 297.402 2.535 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000341884029 263363053 /nfs/dbraw/zinc/36/30/53/263363053.db2.gz JVDLFHCENIEAMS-WBVHZDCISA-N 0 3 299.418 2.767 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000341885450 263363268 /nfs/dbraw/zinc/36/32/68/263363268.db2.gz XGLABLVUVWLNTP-NXEZZACHSA-N 0 3 273.298 2.939 20 30 CFEDHN C=C(CC)CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000341975727 263369011 /nfs/dbraw/zinc/36/90/11/263369011.db2.gz JZOQQZOSFKASIL-QGZVFWFLSA-N 0 3 258.409 2.811 20 30 CFEDHN COCC1(C#N)CCN(Cc2ccc3ncccc3c2)CC1 ZINC000341969970 263372488 /nfs/dbraw/zinc/37/24/88/263372488.db2.gz CTOPKTCOABFTTH-UHFFFAOYSA-N 0 3 295.386 2.987 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccccc1)CC1(CO)CC1 ZINC000341970610 263372674 /nfs/dbraw/zinc/37/26/74/263372674.db2.gz OSMDSILJZCYWHW-KRWDZBQOSA-N 0 3 289.419 2.588 20 30 CFEDHN CN1CCN(CCCCC#N)C[C@H]1Cc1ccccc1 ZINC000341999908 263374676 /nfs/dbraw/zinc/37/46/76/263374676.db2.gz YRVXRRBGCGEQJU-QGZVFWFLSA-N 0 3 271.408 2.539 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000341998933 263374735 /nfs/dbraw/zinc/37/47/35/263374735.db2.gz WOYFFLLYIAWHDG-NSHDSACASA-N 0 3 285.384 2.846 20 30 CFEDHN CCOc1cccc(CNCC(C)(C)CCC#N)n1 ZINC000342290459 263413826 /nfs/dbraw/zinc/41/38/26/263413826.db2.gz DJRHFGRLQZTLGE-UHFFFAOYSA-N 0 3 261.369 2.900 20 30 CFEDHN CCc1nc(C(=O)NCCN2CCCC[C@@H]2CC)co1 ZINC000330802159 264042251 /nfs/dbraw/zinc/04/22/51/264042251.db2.gz APTGXKADQOCLAO-LBPRGKRZSA-N 0 3 279.384 2.806 20 30 CFEDHN CCc1nc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)co1 ZINC000330807912 264043646 /nfs/dbraw/zinc/04/36/46/264043646.db2.gz CUKNJAGAWTYRGF-FRRDWIJNSA-N 0 3 293.411 2.908 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2coc(CC)n2)CC1 ZINC000331084956 264118257 /nfs/dbraw/zinc/11/82/57/264118257.db2.gz ZNOUODHKUIYIST-UHFFFAOYSA-N 0 3 277.368 2.582 20 30 CFEDHN CC(C)Oc1cncc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000331106533 264125530 /nfs/dbraw/zinc/12/55/30/264125530.db2.gz GNZCPUOMISKMNE-GXTWGEPZSA-N 0 3 291.395 2.656 20 30 CFEDHN CC(C)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)c([O-])c1 ZINC000331246855 264179186 /nfs/dbraw/zinc/17/91/86/264179186.db2.gz VIGOIMQKRWLOIX-LLVKDONJSA-N 0 3 264.369 2.770 20 30 CFEDHN C=CCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000160222340 264236857 /nfs/dbraw/zinc/23/68/57/264236857.db2.gz QGLOONKDIPUVAQ-UHFFFAOYSA-N 0 3 265.353 2.807 20 30 CFEDHN C=CCCC[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000160222340 264236858 /nfs/dbraw/zinc/23/68/58/264236858.db2.gz QGLOONKDIPUVAQ-UHFFFAOYSA-N 0 3 265.353 2.807 20 30 CFEDHN CCCCN(CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343262677 264260962 /nfs/dbraw/zinc/26/09/62/264260962.db2.gz CYHGITPPRQHZAX-DZGCQCFKSA-N 0 3 267.417 2.551 20 30 CFEDHN C=CCNC(=O)[C@H](C)NCC1(c2ccccc2)CCCC1 ZINC000073693059 264296964 /nfs/dbraw/zinc/29/69/64/264296964.db2.gz YPXQQUBRRBCJIJ-HNNXBMFYSA-N 0 3 286.419 2.779 20 30 CFEDHN C=C(C)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129342061 264319057 /nfs/dbraw/zinc/31/90/57/264319057.db2.gz GBQPFLLUVLOFEP-UHFFFAOYSA-N 0 3 284.403 2.864 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000076734368 264343156 /nfs/dbraw/zinc/34/31/56/264343156.db2.gz PRSRZCXQJKZDTC-ZDUSSCGKSA-N 0 3 292.448 2.919 20 30 CFEDHN C=CCCCN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000076737337 264344010 /nfs/dbraw/zinc/34/40/10/264344010.db2.gz RCMVBUPXJNJFSQ-UHFFFAOYSA-N 0 3 291.782 2.746 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000076737322 264344223 /nfs/dbraw/zinc/34/42/23/264344223.db2.gz VQPZRKAHIADVQP-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN CC(C)C[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000130350312 264349711 /nfs/dbraw/zinc/34/97/11/264349711.db2.gz XOEISSARDXXJKD-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000424952568 264388475 /nfs/dbraw/zinc/38/84/75/264388475.db2.gz XJKKPEVUNPDTGD-PWSUYJOCSA-N 0 3 284.281 2.826 20 30 CFEDHN CCN(CC)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000442792434 265007544 /nfs/dbraw/zinc/00/75/44/265007544.db2.gz MHIRYNTZVKBIFZ-SOUVJXGZSA-N 0 3 275.396 2.944 20 30 CFEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)c1ccco1 ZINC000093492091 265181699 /nfs/dbraw/zinc/18/16/99/265181699.db2.gz AGLJNVWOVWEDAG-CYBMUJFWSA-N 0 3 275.377 2.605 20 30 CFEDHN CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000356207750 266071861 /nfs/dbraw/zinc/07/18/61/266071861.db2.gz RGTKICCYOJCIIM-IAGOWNOFSA-N 0 3 299.418 2.627 20 30 CFEDHN C=C(C)CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357311131 266273088 /nfs/dbraw/zinc/27/30/88/266273088.db2.gz NZPVELOTRUBNLC-GDBMZVCRSA-N 0 3 289.423 2.862 20 30 CFEDHN C=C(C)CN[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000357407557 266292379 /nfs/dbraw/zinc/29/23/79/266292379.db2.gz ZNCIPYSVJBLGEU-KRWDZBQOSA-N 0 3 274.408 2.534 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000357534403 266317259 /nfs/dbraw/zinc/31/72/59/266317259.db2.gz ZVXZCOHQOUQXKR-UHFFFAOYSA-N 0 3 269.348 2.537 20 30 CFEDHN C=CCN(C[C@H](O)COc1cc(C)ccc1C)C1CC1 ZINC000357552314 266321265 /nfs/dbraw/zinc/32/12/65/266321265.db2.gz LTZRGDOKHUPWQW-INIZCTEOSA-N 0 3 275.392 2.694 20 30 CFEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000357823790 266373176 /nfs/dbraw/zinc/37/31/76/266373176.db2.gz INXWFKFUSBYRKW-GXFFZTMASA-N 0 3 270.336 2.536 20 30 CFEDHN Cc1nc(-c2ccc(CCNC(=O)C(C)C#N)cc2)cs1 ZINC000357841229 266375171 /nfs/dbraw/zinc/37/51/71/266375171.db2.gz VEVXZBOIDNUPJZ-NSHDSACASA-N 0 3 299.399 2.937 20 30 CFEDHN C=CCN(C(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC000357962859 266390047 /nfs/dbraw/zinc/39/00/47/266390047.db2.gz JDIKHEIBYBPIDK-UHFFFAOYSA-N 0 3 258.365 2.539 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000360373316 266710917 /nfs/dbraw/zinc/71/09/17/266710917.db2.gz QMOPWCOAZAPYBU-ZCFIWIBFSA-N 0 3 292.207 2.759 20 30 CFEDHN C=CCN(CCOC)CCO[C@@H]1CCCC[C@@H]1C ZINC000362050689 266923391 /nfs/dbraw/zinc/92/33/91/266923391.db2.gz SADINVVQHIGLHO-LSDHHAIUSA-N 0 3 255.402 2.716 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000362574848 267009596 /nfs/dbraw/zinc/00/95/96/267009596.db2.gz IATLNWGNHHDKRA-GHMZBOCLSA-N 0 3 289.404 2.638 20 30 CFEDHN CCCCCCCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363124981 267075212 /nfs/dbraw/zinc/07/52/12/267075212.db2.gz GBBCTTQTHKXBEU-CVEARBPZSA-N 0 3 296.455 2.716 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2C[C@@](C)(O)C2)ccc1OC ZINC000418115217 267086218 /nfs/dbraw/zinc/08/62/18/267086218.db2.gz PECDICBLFBNKMV-KDYLLFBJSA-N 0 3 291.391 2.653 20 30 CFEDHN CC1CCC(N2CCN(C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000115609434 267101795 /nfs/dbraw/zinc/10/17/95/267101795.db2.gz WQDQDUOBBICUDK-AQFXKWCLSA-N 0 3 288.439 2.626 20 30 CFEDHN C#CCCN[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000367636326 267105380 /nfs/dbraw/zinc/10/53/80/267105380.db2.gz UGVZWOQJAFNPRM-ZDUSSCGKSA-N 0 3 271.339 2.994 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000367873173 267123863 /nfs/dbraw/zinc/12/38/63/267123863.db2.gz DVEOFDSWCMROJL-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN CC#CCCN1CCC[C@@H](c2ccnc(CC)n2)C1 ZINC000368138638 267147581 /nfs/dbraw/zinc/14/75/81/267147581.db2.gz JPAUIKKPOCAABT-CQSZACIVSA-N 0 3 257.381 2.632 20 30 CFEDHN CC#CCCN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000368151258 267149212 /nfs/dbraw/zinc/14/92/12/267149212.db2.gz ZWLUPXJCYHBCTI-GOSISDBHSA-N 0 3 290.451 2.903 20 30 CFEDHN N=C(NO)[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC000368524955 267180730 /nfs/dbraw/zinc/18/07/30/267180730.db2.gz NAERNGJUJDWUSC-AWEZNQCLSA-N 0 3 291.782 2.502 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000116958216 267195081 /nfs/dbraw/zinc/19/50/81/267195081.db2.gz LGGQZKYUOJMQLU-GJZGRUSLSA-N 0 3 289.423 2.771 20 30 CFEDHN CC(C)(C#N)CCCCN1CCS[C@H]2COCC[C@@H]21 ZINC000369001373 267216213 /nfs/dbraw/zinc/21/62/13/267216213.db2.gz LNQWHNYWXHYNEP-KBPBESRZSA-N 0 3 282.453 2.913 20 30 CFEDHN C=CCCCCCN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369295510 267233886 /nfs/dbraw/zinc/23/38/86/267233886.db2.gz WULIHIZJYKXBGU-CABCVRRESA-N 0 3 253.386 2.613 20 30 CFEDHN C[C@H]1OCC[C@@]12CN(CCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000369389178 267238789 /nfs/dbraw/zinc/23/87/89/267238789.db2.gz MHEUPUARVKLNDI-IIAWOOMASA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCN(C[C@@H](C)CS(C)(=O)=O)CC1CCCCC1 ZINC000119130342 267302665 /nfs/dbraw/zinc/30/26/65/267302665.db2.gz XSZDMZPDUCYIET-CQSZACIVSA-N 0 3 287.469 2.735 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1CCOCC1 ZINC000530756498 267315756 /nfs/dbraw/zinc/31/57/56/267315756.db2.gz PVVSFDIVMVDKGI-UHFFFAOYSA-N 0 3 296.317 2.770 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000119409574 267334092 /nfs/dbraw/zinc/33/40/92/267334092.db2.gz PWRIJCVRVBGZJS-ZDUSSCGKSA-N 0 3 253.349 2.855 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCN(CC(F)F)C2)c1 ZINC000418131368 267359756 /nfs/dbraw/zinc/35/97/56/267359756.db2.gz HWKQWHXHUQUSMQ-CQSZACIVSA-N 0 3 296.361 2.680 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000120173012 267388756 /nfs/dbraw/zinc/38/87/56/267388756.db2.gz VNJRUJWLLRJZKE-QGZVFWFLSA-N 0 3 284.403 2.677 20 30 CFEDHN C[C@@H]1OCC[C@@]12CN(CCCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000375923036 267924246 /nfs/dbraw/zinc/92/42/46/267924246.db2.gz YNLONDHWASLHDH-HLLBOEOZSA-N 0 3 294.439 2.975 20 30 CFEDHN CCCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC000376805944 268019215 /nfs/dbraw/zinc/01/92/15/268019215.db2.gz YILKBEJCMXAINO-MRXNPFEDSA-N 0 3 268.445 2.753 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)/C=C/c1cccc(C#N)c1 ZINC000104529325 269608357 /nfs/dbraw/zinc/60/83/57/269608357.db2.gz HADMGXCBPAMXRT-CMDGGOBGSA-N 0 3 299.418 2.618 20 30 CFEDHN N#Cc1cccc(C2(NC[C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000516930488 270391548 /nfs/dbraw/zinc/39/15/48/270391548.db2.gz QJRPLFQUWSPOHE-GOEBONIOSA-N 0 3 270.376 2.688 20 30 CFEDHN CC1(C)CCC[C@@H]1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299222256 273580273 /nfs/dbraw/zinc/58/02/73/273580273.db2.gz HYAMEOCMDCNSDD-HOTGVXAUSA-N 0 3 297.402 2.832 20 30 CFEDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352894398 273593655 /nfs/dbraw/zinc/59/36/55/273593655.db2.gz MTMKEMYEWSTHOT-QWHCGFSZSA-N 0 3 298.308 2.826 20 30 CFEDHN CC(C)CN(C(=O)C#Cc1ccccc1)C1CCN(C)CC1 ZINC000267074131 275880978 /nfs/dbraw/zinc/88/09/78/275880978.db2.gz RGNVSIYVCHMTPJ-UHFFFAOYSA-N 0 3 298.430 2.617 20 30 CFEDHN CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCCC1 ZINC000357280394 276168536 /nfs/dbraw/zinc/16/85/36/276168536.db2.gz FGKMKUMKKKTSAU-HNNXBMFYSA-N 0 3 285.391 2.645 20 30 CFEDHN CCC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000295537974 276287578 /nfs/dbraw/zinc/28/75/78/276287578.db2.gz OBOFVYJBSIWPOX-INIZCTEOSA-N 0 3 258.365 2.684 20 30 CFEDHN CN(C)CCN(Cc1ccccn1)c1cccc(F)c1C#N ZINC000301747291 276788299 /nfs/dbraw/zinc/78/82/99/276788299.db2.gz QVZUMJAKIKVYFG-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN C=C(C)CCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000277019252 276857386 /nfs/dbraw/zinc/85/73/86/276857386.db2.gz ZKZFWXYQUDNCDP-HOCLYGCPSA-N 0 3 294.345 2.792 20 30 CFEDHN CC(=O)NCC[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000347629997 277034377 /nfs/dbraw/zinc/03/43/77/277034377.db2.gz ASOZWCHFMSONFG-WMLDXEAASA-N 0 3 299.418 2.857 20 30 CFEDHN CC(C)CN(C(=O)/C=C\CN(C)C)c1ccc(C#N)cc1 ZINC000491874729 277368776 /nfs/dbraw/zinc/36/87/76/277368776.db2.gz WPIPTFSTCFJMDS-WAYWQWQTSA-N 0 3 285.391 2.665 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287985739 277776881 /nfs/dbraw/zinc/77/68/81/277776881.db2.gz KRCOKCQMSCZHPL-ZFWWWQNUSA-N 0 3 275.396 2.553 20 30 CFEDHN CC(C#N)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000336403213 278182079 /nfs/dbraw/zinc/18/20/79/278182079.db2.gz XYVYVZWYTDXIAI-JTQLQIEISA-N 0 3 287.750 2.797 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C(=O)NC2CC2)CC1 ZINC000377716006 278411966 /nfs/dbraw/zinc/41/19/66/278411966.db2.gz DSVQZPJBRCMIIL-ZDUSSCGKSA-N 0 3 297.402 2.610 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000359030983 288076037 /nfs/dbraw/zinc/07/60/37/288076037.db2.gz PHNGRFWVSKEOBU-PBHICJAKSA-N 0 3 299.418 3.000 20 30 CFEDHN C[C@@]1(NCC#Cc2ccc(F)cc2)CCO[C@@H]1C1CC1 ZINC000273027559 279171600 /nfs/dbraw/zinc/17/16/00/279171600.db2.gz FRFWTUGNEQIYML-IAGOWNOFSA-N 0 3 273.351 2.724 20 30 CFEDHN CC(C#N)C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000336403214 279180899 /nfs/dbraw/zinc/18/08/99/279180899.db2.gz XYVYVZWYTDXIAI-SNVBAGLBSA-N 0 3 287.750 2.797 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1cccc(C#N)c1 ZINC000075984761 279302662 /nfs/dbraw/zinc/30/26/62/279302662.db2.gz JRYVPGSITXRJGV-CYBMUJFWSA-N 0 3 286.379 2.554 20 30 CFEDHN C[C@H]1N(CC#Cc2ccccc2)CCC12CCOCC2 ZINC000336620760 280037337 /nfs/dbraw/zinc/03/73/37/280037337.db2.gz CIXWOBPLQJIVRH-MRXNPFEDSA-N 0 3 269.388 2.929 20 30 CFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1nc(Cl)c(C#N)s1 ZINC000286558128 280102116 /nfs/dbraw/zinc/10/21/16/280102116.db2.gz WSYPLWKCOUBDLT-UWVGGRQHSA-N 0 3 296.827 2.731 20 30 CFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1snc(Cl)c1C#N ZINC000286394765 280102498 /nfs/dbraw/zinc/10/24/98/280102498.db2.gz LEWFONCAHFVQGP-ONGXEEELSA-N 0 3 296.827 2.731 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000374505642 280971101 /nfs/dbraw/zinc/97/11/01/280971101.db2.gz NWYZXRSNIAXKED-YESZJQIVSA-N 0 3 297.402 2.752 20 30 CFEDHN Cc1ccc2ncc(C#N)c(NC3CCN(C)CC3)c2c1 ZINC000291610795 281165305 /nfs/dbraw/zinc/16/53/05/281165305.db2.gz JKIIFJSWPDWWSJ-UHFFFAOYSA-N 0 3 280.375 2.921 20 30 CFEDHN CCc1ccc(C#CC(=O)NC2CCN(C(C)C)CC2)cc1 ZINC000293040701 281392522 /nfs/dbraw/zinc/39/25/22/281392522.db2.gz LSFLKLPVWIERCJ-UHFFFAOYSA-N 0 3 298.430 2.590 20 30 CFEDHN Cc1ccc([C@H](CNc2ccncc2C#N)N2CCCC2)o1 ZINC000547824892 281756595 /nfs/dbraw/zinc/75/65/95/281756595.db2.gz WWIVSYNEIUIZKC-INIZCTEOSA-N 0 3 296.374 2.526 20 30 CFEDHN CN1CCC[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000555414426 281914581 /nfs/dbraw/zinc/91/45/81/281914581.db2.gz ZUFHXPXDJRDUBR-SJORKVTESA-N 0 3 297.402 2.536 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000331574273 289235426 /nfs/dbraw/zinc/23/54/26/289235426.db2.gz SCTUZYDATDNLIM-MCIONIFRSA-N 0 3 276.380 2.677 20 30 CFEDHN C[C@H](C[S@](C)=O)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360882958 289742519 /nfs/dbraw/zinc/74/25/19/289742519.db2.gz HWOQGJAUUFNWBR-QROBEVECSA-N 0 3 290.432 2.682 20 30 CFEDHN C[C@H]1C[C@H](C)CN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000158003564 289968150 /nfs/dbraw/zinc/96/81/50/289968150.db2.gz SYWQFWSDWKVQMX-STQMWFEESA-N 0 3 268.364 2.684 20 30 CFEDHN CC(C)N1C[C@H](C)[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000563018459 290093999 /nfs/dbraw/zinc/09/39/99/290093999.db2.gz IBLHCTZAVHZDKG-BLLLJJGKSA-N 0 3 284.407 2.583 20 30 CFEDHN Cn1cc(CN2CCSC[C@@H]2C2CCC2)cc1C#N ZINC000334952639 294237709 /nfs/dbraw/zinc/23/77/09/294237709.db2.gz SFQYIBPAHCMKFD-OAHLLOKOSA-N 0 3 275.421 2.614 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC[C@@H]2CSc3ccccc3O2)C1 ZINC000575311759 335092043 /nfs/dbraw/zinc/09/20/43/335092043.db2.gz WQEZEDVHASMQAF-FRRDWIJNSA-N 0 3 274.389 2.822 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000574958595 327667943 /nfs/dbraw/zinc/66/79/43/327667943.db2.gz DDPCHHKJDLQUDI-ZYHUDNBSSA-N 0 3 299.212 2.822 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccc(C)o1)C(C)C ZINC000387618631 327792424 /nfs/dbraw/zinc/79/24/24/327792424.db2.gz LEQSDSICALNNJC-CYBMUJFWSA-N 0 3 257.337 2.726 20 30 CFEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000185752468 327844522 /nfs/dbraw/zinc/84/45/22/327844522.db2.gz LJUXTLAZWQRTNE-TUKIKUTGSA-N 0 3 262.328 2.531 20 30 CFEDHN Cc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000185834287 327847107 /nfs/dbraw/zinc/84/71/07/327847107.db2.gz IJHOGVKYCMMZOS-UXLLHSPISA-N 0 3 297.402 2.772 20 30 CFEDHN CC(C)n1c2ccccc2nc1NC(=O)[C@@H](N)CCCC#N ZINC000565432459 328001730 /nfs/dbraw/zinc/00/17/30/328001730.db2.gz UEJFYHIEKIRSLE-LBPRGKRZSA-N 0 3 299.378 2.577 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000373897398 328003266 /nfs/dbraw/zinc/00/32/66/328003266.db2.gz KPKDRDOBGZEIPI-FUHWJXTLSA-N 0 3 285.387 2.700 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616382 328019146 /nfs/dbraw/zinc/01/91/46/328019146.db2.gz QVMWUPPEKFVXBV-LSDHHAIUSA-N 0 3 297.439 2.757 20 30 CFEDHN C=CCC1(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)CCCC1 ZINC000563397773 328061983 /nfs/dbraw/zinc/06/19/83/328061983.db2.gz VVLBMAMTJVHTFL-LSDHHAIUSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCCCCNCc1cnc(N2CCCC2)nc1 ZINC000563419685 328063526 /nfs/dbraw/zinc/06/35/26/328063526.db2.gz XXVAPFDMQGVBST-UHFFFAOYSA-N 0 3 274.412 2.913 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1-c1cccs1)C(C)C ZINC000377703733 329026015 /nfs/dbraw/zinc/02/60/15/329026015.db2.gz RIWPKNYJEJUVCD-CYBMUJFWSA-N 0 3 273.405 2.896 20 30 CFEDHN CO[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411233982 328080401 /nfs/dbraw/zinc/08/04/01/328080401.db2.gz XOPLIUVCMAKWHX-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H]2OCC)cc1OC ZINC000571148771 328088188 /nfs/dbraw/zinc/08/81/88/328088188.db2.gz QWIJTDBRYKJJPI-ZFWWWQNUSA-N 0 3 277.364 2.527 20 30 CFEDHN CC#CCN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059875 328101853 /nfs/dbraw/zinc/10/18/53/328101853.db2.gz DHIMAZHDIWXTTA-AWEZNQCLSA-N 0 3 265.397 2.844 20 30 CFEDHN C[C@@H]1[C@@H](CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000412083415 328103295 /nfs/dbraw/zinc/10/32/95/328103295.db2.gz NAYQAICAEZCHDB-UKRRQHHQSA-N 0 3 277.795 2.784 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412316384 328108465 /nfs/dbraw/zinc/10/84/65/328108465.db2.gz MUWHDIGRIAENHR-KRWDZBQOSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCCC(C)C)CC1 ZINC000171553526 329077542 /nfs/dbraw/zinc/07/75/42/329077542.db2.gz DIPLGYPLAFHCDE-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cncc(Br)c1 ZINC000571582601 328135386 /nfs/dbraw/zinc/13/53/86/328135386.db2.gz VGHILDFAQFLVQA-GXFFZTMASA-N 0 3 299.212 2.822 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc([S@](C)=O)cc1 ZINC000274641851 328212500 /nfs/dbraw/zinc/21/25/00/328212500.db2.gz RHWUVECZVCOEAH-CKEAHLDZSA-N 0 3 276.405 2.767 20 30 CFEDHN CC(C)(C#N)CC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000278202415 328224653 /nfs/dbraw/zinc/22/46/53/328224653.db2.gz FXQOCYVQVWJOLU-OAHLLOKOSA-N 0 3 297.402 2.937 20 30 CFEDHN N#Cc1ccccc1N1CCCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278757721 328230126 /nfs/dbraw/zinc/23/01/26/328230126.db2.gz XPTKHPALLGMNRE-RDJZCZTQSA-N 0 3 294.402 2.763 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)CC(C)(C)C#N ZINC000278841504 328230916 /nfs/dbraw/zinc/23/09/16/328230916.db2.gz RQTQCHVZNOVBHT-UHFFFAOYSA-N 0 3 273.380 2.669 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OCC(F)(F)F)cc1 ZINC000184282611 329258636 /nfs/dbraw/zinc/25/86/36/329258636.db2.gz CLNNALDSUXGVSN-LBPRGKRZSA-N 0 3 289.297 2.654 20 30 CFEDHN C[C@@H](NCCCC#N)[C@@H]1OCCc2sccc21 ZINC000292311181 328269538 /nfs/dbraw/zinc/26/95/38/328269538.db2.gz DRUNSBNJBIHOPL-MFKMUULPSA-N 0 3 250.367 2.644 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1c1cccs1 ZINC000293525644 328276425 /nfs/dbraw/zinc/27/64/25/328276425.db2.gz PCBWXASHVWPEQV-LBPRGKRZSA-N 0 3 250.367 2.815 20 30 CFEDHN CCCC[N@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000293987007 328278804 /nfs/dbraw/zinc/27/88/04/328278804.db2.gz FEFZZFDFYFTCEY-UHFFFAOYSA-N 0 3 276.380 2.925 20 30 CFEDHN CCCC[N@@H+](CCOCCC#N)Cc1ccccc1[O-] ZINC000293987007 328278806 /nfs/dbraw/zinc/27/88/06/328278806.db2.gz FEFZZFDFYFTCEY-UHFFFAOYSA-N 0 3 276.380 2.925 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1cccc(N2CCCC2)c1 ZINC000294760021 328283012 /nfs/dbraw/zinc/28/30/12/328283012.db2.gz YHGWNGLHJOOPPB-OAHLLOKOSA-N 0 3 287.407 2.868 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ncccc1C ZINC001085538037 782091632 /nfs/dbraw/zinc/09/16/32/782091632.db2.gz NJZVEIAUZOAXJB-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296200999 328289423 /nfs/dbraw/zinc/28/94/23/328289423.db2.gz ZDTIFWRCFMPMFG-DMDPSCGWSA-N 0 3 259.309 2.938 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)CCC1CCCCC1 ZINC000101565985 328356827 /nfs/dbraw/zinc/35/68/27/328356827.db2.gz OKIXVTZOXVMVDT-KRWDZBQOSA-N 0 3 293.455 2.943 20 30 CFEDHN N#Cc1csc(CN[C@@H]2COc3cc(F)ccc3C2)c1 ZINC000572857386 322635281 /nfs/dbraw/zinc/63/52/81/322635281.db2.gz VSEABZYFVNIECP-ZDUSSCGKSA-N 0 3 288.347 2.852 20 30 CFEDHN CC[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573853955 322671472 /nfs/dbraw/zinc/67/14/72/322671472.db2.gz PUOKXUAGLLDWIW-WDEREUQCSA-N 0 3 261.325 2.991 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccncc2C)CC1 ZINC000121550276 328375374 /nfs/dbraw/zinc/37/53/74/328375374.db2.gz LNLWHAIHSIKAOA-UHFFFAOYSA-N 0 3 288.395 2.552 20 30 CFEDHN C=CCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305148298 328392998 /nfs/dbraw/zinc/39/29/98/328392998.db2.gz NZLYZMGYADQAEH-LLVKDONJSA-N 0 3 251.292 2.588 20 30 CFEDHN C[C@]1(CNCc2cc(C#N)cs2)CCCC[C@@H]1O ZINC000174938587 323657620 /nfs/dbraw/zinc/65/76/20/323657620.db2.gz YGXYBXSUOFCTJG-UONOGXRCSA-N 0 3 264.394 2.651 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1OC)[C@@H]1CCCO1 ZINC000182264846 323851016 /nfs/dbraw/zinc/85/10/16/323851016.db2.gz WPKCOOIHSKHDHS-CABCVRRESA-N 0 3 274.364 2.614 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc(F)c(F)c2)o1 ZINC000190295543 324039497 /nfs/dbraw/zinc/03/94/97/324039497.db2.gz XNPKTJYPTAEVRJ-UHFFFAOYSA-N 0 3 262.259 2.762 20 30 CFEDHN C[C@H]1CSCCN(Cc2cc(C#N)cs2)C1 ZINC000190844105 324043805 /nfs/dbraw/zinc/04/38/05/324043805.db2.gz IUQTWRKXBPNHDL-SNVBAGLBSA-N 0 3 252.408 2.805 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000123235395 328447022 /nfs/dbraw/zinc/44/70/22/328447022.db2.gz JMPMWXBQHKGUCF-CQSZACIVSA-N 0 3 264.413 2.745 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)o3)n2)cc1 ZINC000350507699 324221550 /nfs/dbraw/zinc/22/15/50/324221550.db2.gz HFDPNCAIPHWMEQ-UHFFFAOYSA-N 0 3 294.314 2.930 20 30 CFEDHN CC[C@H](CNc1ncc2c(c1C#N)CCC2)N1CCCC1 ZINC000579949776 324993625 /nfs/dbraw/zinc/99/36/25/324993625.db2.gz VRXWEQCTYYHIBS-CQSZACIVSA-N 0 3 284.407 2.728 20 30 CFEDHN CC(C)[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000580432071 325034766 /nfs/dbraw/zinc/03/47/66/325034766.db2.gz QSNBBYFBUQOATH-HNNXBMFYSA-N 0 3 297.406 2.859 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN[C@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 ZINC000581712051 325144680 /nfs/dbraw/zinc/14/46/80/325144680.db2.gz UUOJHBHLMJOIEP-ILXRZTDVSA-N 0 3 294.358 2.886 20 30 CFEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(C#N)cn1 ZINC000582615074 325220226 /nfs/dbraw/zinc/22/02/26/325220226.db2.gz PGUFVOLVXLNVEJ-KBPBESRZSA-N 0 3 261.394 2.717 20 30 CFEDHN CC[C@H](C)[C@H](C)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582726952 325229195 /nfs/dbraw/zinc/22/91/95/325229195.db2.gz UUSOEQHFOJUBNQ-STQMWFEESA-N 0 3 297.406 3.000 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000583875330 325316366 /nfs/dbraw/zinc/31/63/66/325316366.db2.gz DSQGAVSFKLHZBA-XHDPSFHLSA-N 0 3 264.344 2.584 20 30 CFEDHN CCC1(CC)CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000186541564 329345102 /nfs/dbraw/zinc/34/51/02/329345102.db2.gz GACNIXLVKUKXGN-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@H](N(C)CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000557449512 327006104 /nfs/dbraw/zinc/00/61/04/327006104.db2.gz WUENMVZFPUHQLI-ZDUSSCGKSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCOCCN1CCC(Oc2ccc(OC)cc2)CC1 ZINC000559049800 327138938 /nfs/dbraw/zinc/13/89/38/327138938.db2.gz ZPTNCVYQATVFPE-UHFFFAOYSA-N 0 3 291.391 2.741 20 30 CFEDHN C=CCOCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000559149591 327143439 /nfs/dbraw/zinc/14/34/39/327143439.db2.gz KXEJWYSZPLPAMJ-ZDUSSCGKSA-N 0 3 289.297 2.531 20 30 CFEDHN C=CCOCCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000559149589 327143503 /nfs/dbraw/zinc/14/35/03/327143503.db2.gz KXEJWYSZPLPAMJ-CYBMUJFWSA-N 0 3 289.297 2.531 20 30 CFEDHN Cc1cc([C@@H](C)NCCOCCC#N)c(C)s1 ZINC000293879125 327173980 /nfs/dbraw/zinc/17/39/80/327173980.db2.gz TYDKLEDHNFPBQM-LLVKDONJSA-N 0 3 252.383 2.946 20 30 CFEDHN CC#CCN(C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000559458290 327246246 /nfs/dbraw/zinc/24/62/46/327246246.db2.gz DVMUNRNAIPRNLF-SFHVURJKSA-N 0 3 267.372 2.698 20 30 CFEDHN CC#CCN(C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000559458288 327246253 /nfs/dbraw/zinc/24/62/53/327246253.db2.gz DVMUNRNAIPRNLF-GOSISDBHSA-N 0 3 267.372 2.698 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000112545363 327286716 /nfs/dbraw/zinc/28/67/16/327286716.db2.gz OHHMSFUUJXLNTE-HUUCEWRRSA-N 0 3 287.407 2.715 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448035139 327296331 /nfs/dbraw/zinc/29/63/31/327296331.db2.gz NRHNLLJOLPTNHQ-HNNXBMFYSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)CC[C@H]2C)CC1 ZINC000150746251 327369395 /nfs/dbraw/zinc/36/93/95/327369395.db2.gz QPILCOGGKSINKJ-ZIAGYGMSSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1ccn(C)n1 ZINC000562738919 327509758 /nfs/dbraw/zinc/50/97/58/327509758.db2.gz RLOOGYAQYQHAGR-OAHLLOKOSA-N 0 3 255.365 2.697 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@]2(C1)CCCOC2 ZINC000375276193 329002359 /nfs/dbraw/zinc/00/23/59/329002359.db2.gz FZSHZTKCBJNBDR-QGZVFWFLSA-N 0 3 255.361 2.541 20 30 CFEDHN N#CCCN(C(=O)CN1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000377533006 329017748 /nfs/dbraw/zinc/01/77/48/329017748.db2.gz DLXHYRWKOLTPNB-QGZVFWFLSA-N 0 3 297.402 2.808 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000377540464 329018051 /nfs/dbraw/zinc/01/80/51/329018051.db2.gz JMDOJEPXJPLMIF-KRWDZBQOSA-N 0 3 277.371 2.838 20 30 CFEDHN N#CCCCN1CCC[C@](O)(c2ccccc2)CC1 ZINC000377567619 329019324 /nfs/dbraw/zinc/01/93/24/329019324.db2.gz QCLFCYJQNCDFGX-MRXNPFEDSA-N 0 3 258.365 2.664 20 30 CFEDHN C#Cc1ccc(CN2CCC(Cc3nccn3C)CC2)cc1 ZINC000377614486 329020277 /nfs/dbraw/zinc/02/02/77/329020277.db2.gz JAATYNITOCLNFY-UHFFFAOYSA-N 0 3 293.414 2.856 20 30 CFEDHN CC#CCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377730477 329027561 /nfs/dbraw/zinc/02/75/61/329027561.db2.gz YKGVKQRZUBDMMZ-CABCVRRESA-N 0 3 292.423 2.589 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@](CO)(C(C)C)C1 ZINC000378130030 329040879 /nfs/dbraw/zinc/04/08/79/329040879.db2.gz MXPZMPHPRQNXLK-SFHVURJKSA-N 0 3 287.403 2.539 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000378399263 329048988 /nfs/dbraw/zinc/04/89/88/329048988.db2.gz RDCFAUFOXFWANN-PKOBYXMFSA-N 0 3 298.430 2.914 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2(C)CCC(C)CC2)CC1 ZINC000171734760 329079599 /nfs/dbraw/zinc/07/95/99/329079599.db2.gz CECLZXAWNVNDFA-UHFFFAOYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N[C@H](C)CC ZINC000172654368 329136118 /nfs/dbraw/zinc/13/61/18/329136118.db2.gz FITBRQMTKKIZQT-KGLIPLIRSA-N 0 3 254.418 2.968 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181280997 329229230 /nfs/dbraw/zinc/22/92/30/329229230.db2.gz BKSCXYBZRZZJOT-LSDHHAIUSA-N 0 3 289.423 2.771 20 30 CFEDHN N#CCCCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181293023 329229931 /nfs/dbraw/zinc/22/99/31/329229931.db2.gz KIXIUGZQYWZUID-HNNXBMFYSA-N 0 3 295.390 2.955 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC)c(Cl)c1 ZINC000321054653 329243128 /nfs/dbraw/zinc/24/31/28/329243128.db2.gz WQCYDFIFKRBCIW-GFCCVEGCSA-N 0 3 269.772 2.765 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC000183677431 329249368 /nfs/dbraw/zinc/24/93/68/329249368.db2.gz YHWCZBTUBDWDSZ-ZIAGYGMSSA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C)OC(=O)C[C@H]1CCCN(CCCCC#N)C1 ZINC000184462169 329260494 /nfs/dbraw/zinc/26/04/94/329260494.db2.gz AFQYNHQTAALGKT-CQSZACIVSA-N 0 3 266.385 2.734 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000185256988 329269682 /nfs/dbraw/zinc/26/96/82/329269682.db2.gz NSQMMSNATZIANV-QLFBSQMISA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000185257004 329269707 /nfs/dbraw/zinc/26/97/07/329269707.db2.gz NSQMMSNATZIANV-SOUVJXGZSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1sc(C)nc1C ZINC000321278395 329340203 /nfs/dbraw/zinc/34/02/03/329340203.db2.gz FUWMMFMCZVLUSR-CMPLNLGQSA-N 0 3 254.399 2.738 20 30 CFEDHN N#CCCCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186706042 329347906 /nfs/dbraw/zinc/34/79/06/329347906.db2.gz CTTASYBHUNNCKJ-INIZCTEOSA-N 0 3 256.349 2.812 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3oc(C)nc3c2)CC1 ZINC000525920465 329362359 /nfs/dbraw/zinc/36/23/59/329362359.db2.gz DKWIAHOMNCIWFD-UHFFFAOYSA-N 0 3 299.374 2.516 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1cnccn1 ZINC000583250650 329399345 /nfs/dbraw/zinc/39/93/45/329399345.db2.gz YIJFBMAEILWFHI-HNNXBMFYSA-N 0 3 253.349 2.754 20 30 CFEDHN Cc1cc(CNCc2ccc(CC#N)cc2)ccn1 ZINC000399185456 329448939 /nfs/dbraw/zinc/44/89/39/329448939.db2.gz NPFWKAIKJBNBFT-UHFFFAOYSA-N 0 3 251.333 2.746 20 30 CFEDHN C[C@H](C(=O)N1CCCCCC1)N1CCC(CCC#N)CC1 ZINC000399289508 329450009 /nfs/dbraw/zinc/45/00/09/329450009.db2.gz ACQAOWBBHXMASG-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN N#CCCOCCN[C@H](CC(F)F)c1ccccc1 ZINC000420991768 329796264 /nfs/dbraw/zinc/79/62/64/329796264.db2.gz JFCKWGRPLBZDDQ-CYBMUJFWSA-N 0 3 268.307 2.903 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000421766708 330077119 /nfs/dbraw/zinc/07/71/19/330077119.db2.gz GZNYXTQHYFLLES-ZNMIVQPWSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCCOc1ccc(CN2CCC(O)(CC)CC2)cc1 ZINC000271180086 330077902 /nfs/dbraw/zinc/07/79/02/330077902.db2.gz HFACJCQJYHNFTK-UHFFFAOYSA-N 0 3 287.403 2.826 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(Cl)cc1OC ZINC000421845525 330094728 /nfs/dbraw/zinc/09/47/28/330094728.db2.gz XLBJYOXZAMHUDL-PWSUYJOCSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2[C@H](C)CCC[C@@H]2C)CC1 ZINC000081493734 330212041 /nfs/dbraw/zinc/21/20/41/330212041.db2.gz CHNBCVCORQLYLQ-MZBDJJRSSA-N 0 3 293.455 2.761 20 30 CFEDHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424068733 330219702 /nfs/dbraw/zinc/21/97/02/330219702.db2.gz STLGPOSCNSCATP-GOEBONIOSA-N 0 3 287.407 2.835 20 30 CFEDHN Cc1cc(C)c(NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424081602 330219860 /nfs/dbraw/zinc/21/98/60/330219860.db2.gz VMFSSSTYTYJJLN-CYBMUJFWSA-N 0 3 259.353 2.572 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000424070418 330220020 /nfs/dbraw/zinc/22/00/20/330220020.db2.gz RTEKIFITCMYBHU-INIZCTEOSA-N 0 3 299.418 2.636 20 30 CFEDHN CC(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424082097 330223600 /nfs/dbraw/zinc/22/36/00/330223600.db2.gz VTKANTFJIBIFKC-AWEZNQCLSA-N 0 3 259.353 2.770 20 30 CFEDHN CC[C@@H](C)Oc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424086952 330223875 /nfs/dbraw/zinc/22/38/75/330223875.db2.gz CQACCIOZORHLAU-IUODEOHRSA-N 0 3 289.379 2.824 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000424111044 330239404 /nfs/dbraw/zinc/23/94/04/330239404.db2.gz FKWIJKMZEQJRNH-IAGOWNOFSA-N 0 3 299.418 2.804 20 30 CFEDHN CC(C)Oc1ccc(NC(=O)[C@H](N)CCCC#N)c(F)c1 ZINC000424111902 330240263 /nfs/dbraw/zinc/24/02/63/330240263.db2.gz IHDKLJLQXHTHPW-CYBMUJFWSA-N 0 3 293.342 2.573 20 30 CFEDHN Cc1ccc(C[C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424114887 330243141 /nfs/dbraw/zinc/24/31/41/330243141.db2.gz SQEYGBYSKZYPHN-SJORKVTESA-N 0 3 299.418 2.550 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N(CC1CC1)C1CCCCC1 ZINC000424116556 330243361 /nfs/dbraw/zinc/24/33/61/330243361.db2.gz XMADLCRRXPOLRN-HNNXBMFYSA-N 0 3 277.412 2.579 20 30 CFEDHN CCCOc1cc(F)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424117171 330243755 /nfs/dbraw/zinc/24/37/55/330243755.db2.gz BDWCMVBCFHPIDG-GFCCVEGCSA-N 0 3 293.342 2.574 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000528396986 330251619 /nfs/dbraw/zinc/25/16/19/330251619.db2.gz QFUNWVGKDJOXJV-FVQBIDKESA-N 0 3 270.376 2.734 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccccc1CC(F)(F)F ZINC000424125606 330258755 /nfs/dbraw/zinc/25/87/55/330258755.db2.gz OEXQKUAGSCJCJD-LLVKDONJSA-N 0 3 299.296 2.751 20 30 CFEDHN C=C(C)CCNCc1csc(-c2cnn(C)c2)n1 ZINC000527713559 330275962 /nfs/dbraw/zinc/27/59/62/330275962.db2.gz QGLZOQCOPMSJBO-UHFFFAOYSA-N 0 3 262.382 2.599 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccsc1C(F)(F)F ZINC000527690334 330279257 /nfs/dbraw/zinc/27/92/57/330279257.db2.gz DXMMZOCGZOYJBQ-VIFPVBQESA-N 0 3 265.300 2.794 20 30 CFEDHN C#CCN(C)CCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000328065358 330307566 /nfs/dbraw/zinc/30/75/66/330307566.db2.gz CJNAZBDJBGAHCS-UHFFFAOYSA-N 0 3 298.346 2.510 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](Cc3ccccc3)C2)nn1 ZINC000424167839 330309890 /nfs/dbraw/zinc/30/98/90/330309890.db2.gz DMQHGNZFYDKZDL-DLBZAZTESA-N 0 3 296.418 2.965 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nccn1-c1ccccc1 ZINC000424175068 330315238 /nfs/dbraw/zinc/31/52/38/330315238.db2.gz PCZYJWLCQNASFD-HOCLYGCPSA-N 0 3 283.375 2.553 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000528288452 330318487 /nfs/dbraw/zinc/31/84/87/330318487.db2.gz MWBHEZHBSXEKJG-INIZCTEOSA-N 0 3 291.439 2.611 20 30 CFEDHN CC1(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424183360 330320045 /nfs/dbraw/zinc/32/00/45/330320045.db2.gz VMEDVCCCDXYTTE-HUUCEWRRSA-N 0 3 285.391 2.546 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cc(-c3ccccc3)n[nH]2)C1 ZINC000424189238 330321986 /nfs/dbraw/zinc/32/19/86/330321986.db2.gz CYJRKVUBZAQQMY-OCCSQVGLSA-N 0 3 266.348 2.859 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2c[nH]nc2-c2ccccc2)C1 ZINC000424190824 330323119 /nfs/dbraw/zinc/32/31/19/330323119.db2.gz GQNOKNSATMYONB-DOMZBBRYSA-N 0 3 266.348 2.859 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000424292288 330334949 /nfs/dbraw/zinc/33/49/49/330334949.db2.gz GGKHQGXFNWIQPQ-MAZHCROVSA-N 0 3 297.345 2.833 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000424292012 330335065 /nfs/dbraw/zinc/33/50/65/330335065.db2.gz 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/nfs/dbraw/zinc/77/80/26/330778026.db2.gz GIBVFNICJNPOHB-IAGOWNOFSA-N 0 3 280.375 2.713 20 30 CFEDHN CN(C)Cc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1F ZINC000442771891 330781847 /nfs/dbraw/zinc/78/18/47/330781847.db2.gz UYAOYKIWURSRJI-DOMZBBRYSA-N 0 3 275.371 2.669 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000442819775 330785553 /nfs/dbraw/zinc/78/55/53/330785553.db2.gz QVXQCZKWOQBTGF-GHMZBOCLSA-N 0 3 299.296 2.761 20 30 CFEDHN CCN1CCN(c2cccc(N[C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442841731 330786422 /nfs/dbraw/zinc/78/64/22/330786422.db2.gz ORQCGMINMUWCQW-DOTOQJQBSA-N 0 3 298.434 2.933 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000442867397 330788720 /nfs/dbraw/zinc/78/87/20/330788720.db2.gz LFMJIDGBGISTHY-WDMOLILDSA-N 0 3 260.312 2.931 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC[C@@H](O)c2ccccc2)C1 ZINC000158454030 330831355 /nfs/dbraw/zinc/83/13/55/330831355.db2.gz NGLKCSBNYVNUBE-JLAWEPINSA-N 0 3 292.382 2.934 20 30 CFEDHN CC1(C#N)CCC(N[C@H](CCO)c2ccco2)CC1 ZINC000449254302 330910114 /nfs/dbraw/zinc/91/01/14/330910114.db2.gz XMZSKWZAPIRDBM-JVWICGRDSA-N 0 3 262.353 2.765 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C\c1ccc(F)c(F)c1 ZINC000449519784 330933369 /nfs/dbraw/zinc/93/33/69/330933369.db2.gz NJHOAINFDXDDGE-OVNWPICBSA-N 0 3 265.303 2.911 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(Cl)c1 ZINC000449519757 330933373 /nfs/dbraw/zinc/93/33/73/330933373.db2.gz MXUSVIGIDCVDQK-OLZOCXBDSA-N 0 3 267.756 2.782 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)C2CCC2)cc1OC ZINC000449741968 330947574 /nfs/dbraw/zinc/94/75/74/330947574.db2.gz XIDUSSUMEAGVEC-OAHLLOKOSA-N 0 3 291.391 2.511 20 30 CFEDHN CN1CC[C@H](NCC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000450937176 331008126 /nfs/dbraw/zinc/00/81/26/331008126.db2.gz NNHBNIVKOGYKIL-JKSUJKDBSA-N 0 3 269.392 2.715 20 30 CFEDHN CCCCO[C@@H]1C[C@@H](NCC2(C#N)CC2)C1(C)C ZINC000450966200 331009042 /nfs/dbraw/zinc/00/90/42/331009042.db2.gz GZHKAQJZZHNQIA-CHWSQXEVSA-N 0 3 250.386 2.864 20 30 CFEDHN 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281.421 2.713 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H]1CCc2c1c(F)ccc2F ZINC000453352092 331120859 /nfs/dbraw/zinc/12/08/59/331120859.db2.gz KULZGLHDAJGNLQ-QMTHXVAHSA-N 0 3 267.319 2.869 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453358426 331122014 /nfs/dbraw/zinc/12/20/14/331122014.db2.gz OBYTVXKVZHCDLV-OLZOCXBDSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1cccc2OC ZINC000453359135 331122122 /nfs/dbraw/zinc/12/21/22/331122122.db2.gz NRKIVRBGPBUCCE-KFWWJZLASA-N 0 3 259.349 2.616 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H]1CCCc2nc(CC)sc21 ZINC000453364142 331123046 /nfs/dbraw/zinc/12/30/46/331123046.db2.gz QZAPFJBNADZSAZ-NWDGAFQWSA-N 0 3 280.437 3.000 20 30 CFEDHN C=CCC[C@H](N[C@H]1CC[C@@H](C(N)=O)C1)c1ccco1 ZINC000453372459 331124323 /nfs/dbraw/zinc/12/43/23/331124323.db2.gz RWZHOAHRVGETTF-AGIUHOORSA-N 0 3 262.353 2.531 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccncc1F ZINC000453373658 331124384 /nfs/dbraw/zinc/12/43/84/331124384.db2.gz 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DJGPILLMHHVGTP-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000454522379 331147887 /nfs/dbraw/zinc/14/78/87/331147887.db2.gz ZDOFAWDTFDTLFU-UONOGXRCSA-N 0 3 281.444 2.618 20 30 CFEDHN C=CCC1(CNC(=O)NC[C@H]2CCCN2C)CCCC1 ZINC000454627563 331150128 /nfs/dbraw/zinc/15/01/28/331150128.db2.gz HMYSOCYFVXPOGF-CQSZACIVSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000455374985 331167728 /nfs/dbraw/zinc/16/77/28/331167728.db2.gz YMYMZCZILTWOOP-OAHLLOKOSA-N 0 3 289.423 2.801 20 30 CFEDHN C[C@@H](NC(=O)Nc1cccc(CC#N)c1)C1=CCN(C)CC1 ZINC000455905654 331180306 /nfs/dbraw/zinc/18/03/06/331180306.db2.gz MEFPKDSPYKIBGV-CYBMUJFWSA-N 0 3 298.390 2.525 20 30 CFEDHN C=CCC1(CNC(=O)CN(CC)CC)CCCC1 ZINC000456486071 331193800 /nfs/dbraw/zinc/19/38/00/331193800.db2.gz LWUVRHUAKGVENA-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN CC[C@H](C(=O)Nc1cccc(CC#N)c1)N(CC)CC ZINC000456738072 331199520 /nfs/dbraw/zinc/19/95/20/331199520.db2.gz UCQXKEVGQJALQP-OAHLLOKOSA-N 0 3 273.380 2.812 20 30 CFEDHN C=C(CC)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000456809023 331204517 /nfs/dbraw/zinc/20/45/17/331204517.db2.gz AFAIBKPOOMFONT-HNNXBMFYSA-N 0 3 264.413 2.866 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457082847 331211861 /nfs/dbraw/zinc/21/18/61/331211861.db2.gz FGCGWMXUEFEURP-UKRRQHHQSA-N 0 3 252.402 2.530 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCCC1(C)C ZINC000457048897 331210825 /nfs/dbraw/zinc/21/08/25/331210825.db2.gz DXHATHDFTNPFRZ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CN(C)CC(C)(C)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000457254569 331217379 /nfs/dbraw/zinc/21/73/79/331217379.db2.gz XYOQPVZQAFQDBL-HNNXBMFYSA-N 0 3 287.407 2.530 20 30 CFEDHN Cc1cc(NC(=O)CC(C)(C)C#N)ccc1CN(C)C ZINC000458262579 331246592 /nfs/dbraw/zinc/24/65/92/331246592.db2.gz KNXMWXDBLKTFHN-UHFFFAOYSA-N 0 3 273.380 2.935 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@]2(C)CCCC[C@@H]2C)CC1 ZINC000458333896 331249224 /nfs/dbraw/zinc/24/92/24/331249224.db2.gz LRNUOUALLMBYSM-YOEHRIQHSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458623272 331254434 /nfs/dbraw/zinc/25/44/34/331254434.db2.gz QJYGHFUMEIBDKL-NVXWUHKLSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(CC)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000458789908 331259822 /nfs/dbraw/zinc/25/98/22/331259822.db2.gz ZEKJFJLTTKBBQJ-HOCLYGCPSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458807818 331260489 /nfs/dbraw/zinc/26/04/89/331260489.db2.gz GQFCILKKILKEMA-KRWDZBQOSA-N 0 3 293.455 2.716 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000458993690 331265077 /nfs/dbraw/zinc/26/50/77/331265077.db2.gz FJJFKFCCZWXWGU-HNNXBMFYSA-N 0 3 293.386 2.694 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000459464352 331283070 /nfs/dbraw/zinc/28/30/70/331283070.db2.gz OMNPSOXIPMBCTP-GJZGRUSLSA-N 0 3 271.408 2.667 20 30 CFEDHN C[C@@H]1CN(c2ccccc2CNCC2(CC#N)CC2)CCO1 ZINC000459512081 331285539 /nfs/dbraw/zinc/28/55/39/331285539.db2.gz NNQGTCWDZZTKMI-OAHLLOKOSA-N 0 3 299.418 2.695 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000459552071 331287449 /nfs/dbraw/zinc/28/74/49/331287449.db2.gz QPIYODJKYQBTMU-QMCVQRASSA-N 0 3 298.386 2.567 20 30 CFEDHN CC1(C)Cc2ccsc2CN1CCOCCC#N ZINC000459574887 331288814 /nfs/dbraw/zinc/28/88/14/331288814.db2.gz DGAFDDLOTRXZCQ-UHFFFAOYSA-N 0 3 264.394 2.815 20 30 CFEDHN CC(C)CN(CCC(C)(C)C#N)Cc1cnn(C)c1 ZINC000459600826 331290252 /nfs/dbraw/zinc/29/02/52/331290252.db2.gz VSJQBNFAYYUZMR-UHFFFAOYSA-N 0 3 262.401 2.818 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459679875 331294002 /nfs/dbraw/zinc/29/40/02/331294002.db2.gz QATUGGUJOGBQBE-GHMZBOCLSA-N 0 3 250.390 2.793 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459679875 331294003 /nfs/dbraw/zinc/29/40/03/331294003.db2.gz QATUGGUJOGBQBE-GHMZBOCLSA-N 0 3 250.390 2.793 20 30 CFEDHN CO[C@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC000459756822 331298720 /nfs/dbraw/zinc/29/87/20/331298720.db2.gz KJMDEABIXHNDKK-CVEARBPZSA-N 0 3 255.361 2.585 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000466050195 331388986 /nfs/dbraw/zinc/38/89/86/331388986.db2.gz NEQHFLBQEOZSHW-CABCVRRESA-N 0 3 281.444 2.857 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N(C)[C@H](C)C1CCN(C)CC1)OCC ZINC000479565492 331737824 /nfs/dbraw/zinc/73/78/24/331737824.db2.gz RJHGWVPGYFUTGG-GDBMZVCRSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCn1cccc1C(=O)NCCN1CCCC[C@H]1CC ZINC000488940476 332034451 /nfs/dbraw/zinc/03/44/51/332034451.db2.gz ODTQVUHOLZMGPU-OAHLLOKOSA-N 0 3 289.423 2.668 20 30 CFEDHN C=C[C@@H]1CCCCN1CCOc1ccccc1C(=O)OC ZINC000489401898 332050175 /nfs/dbraw/zinc/05/01/75/332050175.db2.gz JIBKOXDTWNQQTB-CQSZACIVSA-N 0 3 289.375 2.893 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)COCc1cccs1 ZINC000489424782 332051590 /nfs/dbraw/zinc/05/15/90/332051590.db2.gz KPCOCRPGAKDANS-UONOGXRCSA-N 0 3 281.421 2.666 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000490254035 332085491 /nfs/dbraw/zinc/08/54/91/332085491.db2.gz SQKHPONNQRCRIA-BHYGNILZSA-N 0 3 286.419 2.945 20 30 CFEDHN C#CCN(CC)CCCc1nc(-c2cccs2)no1 ZINC000490778102 332114575 /nfs/dbraw/zinc/11/45/75/332114575.db2.gz AHYCIRHNSHBMPQ-UHFFFAOYSA-N 0 3 275.377 2.686 20 30 CFEDHN C#CCN(Cc1ccc(-n2cncn2)c(F)c1)C1CCCC1 ZINC000490897587 332126710 /nfs/dbraw/zinc/12/67/10/332126710.db2.gz CXOGRFRINGPKLS-UHFFFAOYSA-N 0 3 298.365 2.784 20 30 CFEDHN C#CCN(CCOCCC#N)[C@H]1CCc2ccccc21 ZINC000491066952 332144340 /nfs/dbraw/zinc/14/43/40/332144340.db2.gz FPOYWMLAKNKJSD-KRWDZBQOSA-N 0 3 268.360 2.539 20 30 CFEDHN C#CCN(CCc1cccnc1)Cc1ccccc1 ZINC000491072866 332146820 /nfs/dbraw/zinc/14/68/20/332146820.db2.gz VWLGVPHULLRAFY-UHFFFAOYSA-N 0 3 250.345 2.760 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000491122343 332153106 /nfs/dbraw/zinc/15/31/06/332153106.db2.gz WCCMXYLMWMZXGA-MRXNPFEDSA-N 0 3 290.794 2.520 20 30 CFEDHN CC(C)(CCC#N)CNCc1cnnn1Cc1ccccc1 ZINC000491222294 332169188 /nfs/dbraw/zinc/16/91/88/332169188.db2.gz GHYBXYJCLJKQEJ-UHFFFAOYSA-N 0 3 297.406 2.746 20 30 CFEDHN C#CCN(Cc1ccc(F)c2cccnc12)C1CC1 ZINC000491228973 332169851 /nfs/dbraw/zinc/16/98/51/332169851.db2.gz DQGNDXFVUSFCLG-UHFFFAOYSA-N 0 3 254.308 2.972 20 30 CFEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000491228938 332169898 /nfs/dbraw/zinc/16/98/98/332169898.db2.gz DHVKJBFRLQFFPJ-KGLIPLIRSA-N 0 3 258.365 2.714 20 30 CFEDHN C#C[C@@H](CCC)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000491304418 332185999 /nfs/dbraw/zinc/18/59/99/332185999.db2.gz FZTLZPRKBJNCQA-KRWDZBQOSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CCn1ccc(CN(CC)CC2Cc3ccccc3C2)n1 ZINC000491352001 332195806 /nfs/dbraw/zinc/19/58/06/332195806.db2.gz XHDCZUZEHJYBFQ-UHFFFAOYSA-N 0 3 293.414 2.753 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1cccc(Cl)c1)C(C)C ZINC000491483292 332219249 /nfs/dbraw/zinc/21/92/49/332219249.db2.gz AVNOULGCPKCPNV-KGLIPLIRSA-N 0 3 251.757 2.621 20 30 CFEDHN C#C[C@H](N[C@@H]1C[C@@H](OCC)[C@@H]1SC)C(C)(C)C ZINC000491665212 332273921 /nfs/dbraw/zinc/27/39/21/332273921.db2.gz KGVQRBJCMLWERO-FVCCEPFGSA-N 0 3 255.427 2.533 20 30 CFEDHN C#CCN(CCC1(O)CC1)[C@@H]1CCc2ccccc21 ZINC000491669135 332276649 /nfs/dbraw/zinc/27/66/49/332276649.db2.gz ZMENQFMPVGUVMQ-MRXNPFEDSA-N 0 3 255.361 2.524 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@H]2CC)CC1 ZINC000491675525 332281002 /nfs/dbraw/zinc/28/10/02/332281002.db2.gz ZIUMWOOHGLHYGI-WBVHZDCISA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCNC(=O)CCN[C@H]1CCc2ccc(C(C)C)cc21 ZINC000491705169 332298563 /nfs/dbraw/zinc/29/85/63/332298563.db2.gz ZFBQFKRANDEXRV-KRWDZBQOSA-N 0 3 284.403 2.526 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(Oc2cnccn2)cc1 ZINC000491711274 332302946 /nfs/dbraw/zinc/30/29/46/332302946.db2.gz UCDDYFMTIKKEOT-AWEZNQCLSA-N 0 3 267.332 2.770 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cccc(OCCCC#N)c1 ZINC000491722995 332307942 /nfs/dbraw/zinc/30/79/42/332307942.db2.gz AHMULXHYJPVEFX-CQSZACIVSA-N 0 3 256.349 2.823 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000491740355 332319299 /nfs/dbraw/zinc/31/92/99/332319299.db2.gz YJJSXCNQUNMKIZ-LSDHHAIUSA-N 0 3 292.423 2.589 20 30 CFEDHN C#CCN(CC)CCCC(=O)Nc1ccccc1C(C)=O ZINC000491746500 332324026 /nfs/dbraw/zinc/32/40/26/332324026.db2.gz OSBDJWHLCVKWID-UHFFFAOYSA-N 0 3 286.375 2.563 20 30 CFEDHN C#CCNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000491748546 332325596 /nfs/dbraw/zinc/32/55/96/332325596.db2.gz OUFBUURGTKYXSD-KRWDZBQOSA-N 0 3 267.376 2.565 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC/C=C\c1ccccc1 ZINC000491749270 332326262 /nfs/dbraw/zinc/32/62/62/332326262.db2.gz GDCQLKSKFBGBLI-GHXNOFRVSA-N 0 3 284.403 2.551 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cccc(OCCCOC)c1 ZINC000491773895 332340023 /nfs/dbraw/zinc/34/00/23/332340023.db2.gz WACGDHGFVZPMRR-CQSZACIVSA-N 0 3 261.365 2.555 20 30 CFEDHN C#C[C@@H](CC)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000491796381 332355033 /nfs/dbraw/zinc/35/50/33/332355033.db2.gz ZWTXNMDIPSSLIX-KRWDZBQOSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000491812025 332364422 /nfs/dbraw/zinc/36/44/22/332364422.db2.gz DNUJEUDJQMXAII-IUODEOHRSA-N 0 3 292.810 2.765 20 30 CFEDHN C=C(C)[C@H](NC(=O)/C=C\CN(C)C)c1ccc(F)c(F)c1 ZINC000492707046 332410367 /nfs/dbraw/zinc/41/03/67/332410367.db2.gz OEIWANVBEXEQKW-KJPDOMRESA-N 0 3 294.345 2.816 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(N2CCOC2=O)c1 ZINC000496144349 332540230 /nfs/dbraw/zinc/54/02/30/332540230.db2.gz WZFNHMBAYFSOTO-ZDUSSCGKSA-N 0 3 299.374 2.988 20 30 CFEDHN CC(C)(C)OC(=O)NCCCN1CCC(C)(C#N)CC1 ZINC000496660869 332556082 /nfs/dbraw/zinc/55/60/82/332556082.db2.gz OTVQKAFWBKQQCV-UHFFFAOYSA-N 0 3 281.400 2.527 20 30 CFEDHN C=CC[C@H](CC)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000500808914 332619229 /nfs/dbraw/zinc/61/92/29/332619229.db2.gz FDHHBWXDBLNGKB-UONOGXRCSA-N 0 3 280.799 2.681 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000517316067 333097371 /nfs/dbraw/zinc/09/73/71/333097371.db2.gz MLGCOWNNIKSHPK-UHFFFAOYSA-N 0 3 286.419 2.613 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000152553864 333125643 /nfs/dbraw/zinc/12/56/43/333125643.db2.gz DHRQOGDPGSSIPX-OAHLLOKOSA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000185656673 333146264 /nfs/dbraw/zinc/14/62/64/333146264.db2.gz LLIQFCSYUYFLGO-IHRRRGAJSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@@H](C)C1 ZINC000219915205 333159259 /nfs/dbraw/zinc/15/92/59/333159259.db2.gz HUUBBDXJSWWBAN-DZGCQCFKSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@H](C)C1 ZINC000219915272 333159227 /nfs/dbraw/zinc/15/92/27/333159227.db2.gz HUUBBDXJSWWBAN-UKRRQHHQSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(C)Cc1ccc([C@@H](NCC(=O)NCC#N)C2CC2)cc1 ZINC000152570455 333181708 /nfs/dbraw/zinc/18/17/08/333181708.db2.gz JNXWNNFKJLVRQX-GOSISDBHSA-N 0 3 299.418 2.566 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCS[C@@H](C)CC1 ZINC000192180112 333231843 /nfs/dbraw/zinc/23/18/43/333231843.db2.gz JIGLMBOOTQSGSF-UONOGXRCSA-N 0 3 284.469 2.627 20 30 CFEDHN C=CCCCCCN[C@@](C)(C(N)=O)c1ccccc1 ZINC000193420158 333249654 /nfs/dbraw/zinc/24/96/54/333249654.db2.gz HYNXHWQMQAEUMU-MRXNPFEDSA-N 0 3 260.381 2.723 20 30 CFEDHN C=CCCCCCN(CC)C[C@H](O)C(F)(F)F ZINC000193565787 333253369 /nfs/dbraw/zinc/25/33/69/333253369.db2.gz OQBRBCPSLYMNAQ-NSHDSACASA-N 0 3 253.308 2.978 20 30 CFEDHN C=CCOc1ccccc1CNCCCOC(F)F ZINC000337866360 335130774 /nfs/dbraw/zinc/13/07/74/335130774.db2.gz OHSDQEFBJCPROB-UHFFFAOYSA-N 0 3 271.307 2.970 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC(C)C)c(OC)c1 ZINC000229896025 333311069 /nfs/dbraw/zinc/31/10/69/333311069.db2.gz LWIXAUVIIOYWCW-AWEZNQCLSA-N 0 3 261.365 2.984 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CCC[C@H](O)C1 ZINC000230669822 333320295 /nfs/dbraw/zinc/32/02/95/333320295.db2.gz BSQHLFAPQQVQOT-ZBFHGGJFSA-N 0 3 275.392 2.892 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CC[C@H](OC)C1 ZINC000231680243 333327983 /nfs/dbraw/zinc/32/79/83/333327983.db2.gz CZOAPVGHLLZZJF-GJZGRUSLSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CC1CCN(Cc2cc(C(=O)OC)oc2C)CC1 ZINC000523606538 333333932 /nfs/dbraw/zinc/33/39/32/333333932.db2.gz ACNZXMRQGXRAST-UHFFFAOYSA-N 0 3 263.337 2.773 20 30 CFEDHN CCOC(=O)C1CCN(CCCCC(C)(C)C#N)CC1 ZINC000233641506 333353923 /nfs/dbraw/zinc/35/39/23/333353923.db2.gz PFKGQAFZSAFNQD-UHFFFAOYSA-N 0 3 280.412 2.982 20 30 CFEDHN C[C@H]1C[C@H](C)N1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000525996798 333417878 /nfs/dbraw/zinc/41/78/78/333417878.db2.gz JWIZVFUYZZGZJD-KBPBESRZSA-N 0 3 295.390 2.841 20 30 CFEDHN C=C(C)COCCNCc1cc2ccccc2[nH]c1=O ZINC000125766462 333572638 /nfs/dbraw/zinc/57/26/38/333572638.db2.gz MEPRBUCWJHLRMY-UHFFFAOYSA-N 0 3 272.348 2.623 20 30 CFEDHN N#CCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000541025424 333759631 /nfs/dbraw/zinc/75/96/31/333759631.db2.gz XQZRDQAPTFUVQD-UHFFFAOYSA-N 0 3 269.348 2.563 20 30 CFEDHN N#CCC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000541920995 333800842 /nfs/dbraw/zinc/80/08/42/333800842.db2.gz SUYILDLCBPNDOT-UHFFFAOYSA-N 0 3 284.407 2.807 20 30 CFEDHN N#CCCCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000542664039 333834996 /nfs/dbraw/zinc/83/49/96/333834996.db2.gz CPWXNVPCFAQNIQ-INIZCTEOSA-N 0 3 266.348 2.849 20 30 CFEDHN N#CCC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000542883173 333846335 /nfs/dbraw/zinc/84/63/35/333846335.db2.gz MJMDZNFFISATJE-UHFFFAOYSA-N 0 3 283.375 2.953 20 30 CFEDHN N#CCC1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000543780098 333898389 /nfs/dbraw/zinc/89/83/89/333898389.db2.gz KDECCJATVYOADX-UHFFFAOYSA-N 0 3 280.375 2.998 20 30 CFEDHN C=C(C)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005885 334022969 /nfs/dbraw/zinc/02/29/69/334022969.db2.gz VAZLAMDCCHURAG-GFCCVEGCSA-N 0 3 254.374 2.504 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133814678 334059762 /nfs/dbraw/zinc/05/97/62/334059762.db2.gz IKEZRFCHZIMQNC-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C=C(CC)CN1CC[C@H](OCc2c(C)noc2C)C1 ZINC000547294482 334076231 /nfs/dbraw/zinc/07/62/31/334076231.db2.gz SSFBSCKSAZBLIT-AWEZNQCLSA-N 0 3 264.369 2.849 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H](SC)C1 ZINC000134584354 334096001 /nfs/dbraw/zinc/09/60/01/334096001.db2.gz QHBAITGTJFJXHD-CQSZACIVSA-N 0 3 284.469 2.629 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000245411788 334190736 /nfs/dbraw/zinc/19/07/36/334190736.db2.gz YMQNLMCTGBZAEA-DOTOQJQBSA-N 0 3 286.419 2.804 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000549938879 334209912 /nfs/dbraw/zinc/20/99/12/334209912.db2.gz OZJVBHZGHXWCRQ-RRFJBIMHSA-N 0 3 289.379 2.575 20 30 CFEDHN CCN(CC[C@H](C)N(CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000245743193 334216431 /nfs/dbraw/zinc/21/64/31/334216431.db2.gz FJZQLOPMTBWMBA-XHSDSOJGSA-N 0 3 278.444 2.728 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000246017966 334228012 /nfs/dbraw/zinc/22/80/12/334228012.db2.gz UPUQHZOHCYNSEA-SUNYJGFJSA-N 0 3 299.418 2.577 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)C[C@H]2CC)c1 ZINC000552134139 334293605 /nfs/dbraw/zinc/29/36/05/334293605.db2.gz WTPSEVDWLNDZQJ-MRXNPFEDSA-N 0 3 274.408 2.777 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248397376 334300042 /nfs/dbraw/zinc/30/00/42/334300042.db2.gz LPFDDKOOOGKEQR-OIISXLGYSA-N 0 3 271.408 2.789 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@@H]2CCCC[C@H]21 ZINC000248454010 334302621 /nfs/dbraw/zinc/30/26/21/334302621.db2.gz ZFMBOTVIGZKXLH-JYYAWHABSA-N 0 3 291.439 2.551 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249102471 334327609 /nfs/dbraw/zinc/32/76/09/334327609.db2.gz UYEJYMKSVYQJSF-MAZHCROVSA-N 0 3 297.345 2.712 20 30 CFEDHN C[C@H](C#N)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000554307967 334420733 /nfs/dbraw/zinc/42/07/33/334420733.db2.gz GCFGCKOWAXRLSE-CQSZACIVSA-N 0 3 285.391 2.562 20 30 CFEDHN C=CCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000554816492 334454327 /nfs/dbraw/zinc/45/43/27/334454327.db2.gz YBXWUYVFFCQIKI-UHFFFAOYSA-N 0 3 285.313 2.799 20 30 CFEDHN CN(CCCNC[C@@H](C#N)CCC#N)c1ccccc1F ZINC000567261651 334699110 /nfs/dbraw/zinc/69/91/10/334699110.db2.gz BPBFIZSUGXIIOJ-CQSZACIVSA-N 0 3 288.370 2.685 20 30 CFEDHN C[C@@H](C(=O)N1CCC(CCC#N)CC1)N1CCCCCC1 ZINC000567389361 334711621 /nfs/dbraw/zinc/71/16/21/334711621.db2.gz UARSKFMTSCXPNK-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@H](NCc1cccc(CO)c1)c1ccc(OCC#N)cc1 ZINC000271881999 334747583 /nfs/dbraw/zinc/74/75/83/334747583.db2.gz PMRLAPCKBJSNQG-AWEZNQCLSA-N 0 3 296.370 2.932 20 30 CFEDHN CN(CCOCC1CC1)Cc1ccc(CC#N)cc1 ZINC000343569058 335210545 /nfs/dbraw/zinc/21/05/45/335210545.db2.gz IMTKTGOAHOKTCY-UHFFFAOYSA-N 0 3 258.365 2.611 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000577106972 335300377 /nfs/dbraw/zinc/30/03/77/335300377.db2.gz ZIRVEGSGQLMIJL-OAHLLOKOSA-N 0 3 291.439 2.815 20 30 CFEDHN Cn1ccnc1[C@H](NC1CCC(C)(C#N)CC1)C1CC1 ZINC000577458659 335354286 /nfs/dbraw/zinc/35/42/86/335354286.db2.gz JRJBDTWROAUSDV-NPCAHTBFSA-N 0 3 272.396 2.933 20 30 CFEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)nc1 ZINC000577637425 335384467 /nfs/dbraw/zinc/38/44/67/335384467.db2.gz VNKGTSVESTUYDM-INIZCTEOSA-N 0 3 293.370 2.779 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCC[C@H]1O ZINC000577756968 335397858 /nfs/dbraw/zinc/39/78/58/335397858.db2.gz FTTNMWBJWDPXNY-WMLDXEAASA-N 0 3 293.407 2.701 20 30 CFEDHN CN1CCC(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000581232957 336028553 /nfs/dbraw/zinc/02/85/53/336028553.db2.gz NPTBBSOEKYBNIB-UHFFFAOYSA-N 0 3 291.782 2.686 20 30 CFEDHN C#C[C@H](NCc1cnn(-c2ccccc2)c1)C(C)C ZINC000381660237 336070210 /nfs/dbraw/zinc/07/02/10/336070210.db2.gz WWDFOGDWLSTASZ-INIZCTEOSA-N 0 3 253.349 2.620 20 30 CFEDHN C[C@@H](C#N)CNC1CCC2(CC1)c1ccccc1NC2=O ZINC000581612150 336112489 /nfs/dbraw/zinc/11/24/89/336112489.db2.gz FEQXWHSHHDVXDN-POZPTJLLSA-N 0 3 283.375 2.568 20 30 CFEDHN C=CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000079939193 500577393 /nfs/dbraw/zinc/57/73/93/500577393.db2.gz MDSZNUUGURKJFF-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN COc1cc(CN2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1C#N ZINC000443064179 533822222 /nfs/dbraw/zinc/82/22/22/533822222.db2.gz FMCZVRKWKQTCRW-ZENOOKHLSA-N 0 3 288.391 2.548 20 30 CFEDHN Cc1ccc([O-])c(NC(=O)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000330305422 534198334 /nfs/dbraw/zinc/19/83/34/534198334.db2.gz QQNWLSRRPBQCHF-GFCCVEGCSA-N 0 3 277.368 2.948 20 30 CFEDHN Cc1ccc([O-])c(NC(=O)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000330305422 534198340 /nfs/dbraw/zinc/19/83/40/534198340.db2.gz QQNWLSRRPBQCHF-GFCCVEGCSA-N 0 3 277.368 2.948 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2CCCCC2)CC1 ZINC000358778284 517331905 /nfs/dbraw/zinc/33/19/05/517331905.db2.gz KZRBJCDEDVNWQD-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000347129519 534281684 /nfs/dbraw/zinc/28/16/84/534281684.db2.gz VOGPWRHSKWUDKY-LLVKDONJSA-N 0 3 260.312 2.724 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000336052165 534284760 /nfs/dbraw/zinc/28/47/60/534284760.db2.gz HFEXUEHABXDFCW-NEPJUHHUSA-N 0 3 291.782 2.585 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000347042153 534285194 /nfs/dbraw/zinc/28/51/94/534285194.db2.gz UAVUUBQHGXXZNR-RNCFNFMXSA-N 0 3 294.301 2.941 20 30 CFEDHN CCOC[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192055093 520181111 /nfs/dbraw/zinc/18/11/11/520181111.db2.gz XLKGQFFXFYZCRZ-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN CCN(CC)C(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000058524519 520443438 /nfs/dbraw/zinc/44/34/38/520443438.db2.gz YHQHGCSEEORALS-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000268229539 534562065 /nfs/dbraw/zinc/56/20/65/534562065.db2.gz UAAPSKVIIKKKQD-MRXNPFEDSA-N 0 3 276.424 2.842 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361864778 521729235 /nfs/dbraw/zinc/72/92/35/521729235.db2.gz FEMACLIQHOMDBD-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN CC[C@H](CCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305810808 522144519 /nfs/dbraw/zinc/14/45/19/522144519.db2.gz JAUBJXZWACHURU-NWDGAFQWSA-N 0 3 264.344 2.757 20 30 CFEDHN Cc1nc2cc(C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)ccc2o1 ZINC000329978853 534637225 /nfs/dbraw/zinc/63/72/25/534637225.db2.gz IJBCLJZDZGTEGS-GXFFZTMASA-N 0 3 287.363 2.924 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000361746757 523568920 /nfs/dbraw/zinc/56/89/20/523568920.db2.gz AOGNHXFUFGGWSU-LSDHHAIUSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@@H]1CCN(Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000336423524 523684141 /nfs/dbraw/zinc/68/41/41/523684141.db2.gz RIZWOGLPXJINCN-ZYHUDNBSSA-N 0 3 250.367 2.619 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3c(c2)COC3)C1 ZINC000336231988 534748134 /nfs/dbraw/zinc/74/81/34/534748134.db2.gz SQHROCDSIULNTJ-BLLLJJGKSA-N 0 3 256.349 2.889 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000300654514 524020860 /nfs/dbraw/zinc/02/08/60/524020860.db2.gz TWLHKQHHULVIQX-STQMWFEESA-N 0 3 262.328 2.600 20 30 CFEDHN CC(C(=O)Nc1cnc(C#N)c(Cl)c1)C(F)(F)F ZINC000336283756 524283198 /nfs/dbraw/zinc/28/31/98/524283198.db2.gz UYMWXZXPBVFTDY-YFKPBYRVSA-N 0 3 277.633 2.744 20 30 CFEDHN C[C@H](CN1CCCCC1)NCc1ccc(C#N)cc1F ZINC000049501805 524334150 /nfs/dbraw/zinc/33/41/50/524334150.db2.gz QYNFOQRJCASUIP-CYBMUJFWSA-N 0 3 275.371 2.661 20 30 CFEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NCc1ccc(C#N)o1 ZINC000246264826 524633985 /nfs/dbraw/zinc/63/39/85/524633985.db2.gz UQJLSLCFPYPFNB-MCIONIFRSA-N 0 3 275.396 2.607 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192141423 534800059 /nfs/dbraw/zinc/80/00/59/534800059.db2.gz UYEJYMKSVYQJSF-UHOFOFEASA-N 0 3 297.345 2.712 20 30 CFEDHN Cc1cc(CN2CC[C@@H](O)CC23CCC3)ccc1C#N ZINC000334969451 524704572 /nfs/dbraw/zinc/70/45/72/524704572.db2.gz UBGYKJGUIIVUQP-MRXNPFEDSA-N 0 3 270.376 2.746 20 30 CFEDHN C[C@H]1Cc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000336081466 524999503 /nfs/dbraw/zinc/99/95/03/524999503.db2.gz CJAGVWPGZQLTEH-SJCJKPOMSA-N 0 3 265.360 2.920 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cnccc1C#N ZINC000274192996 525012560 /nfs/dbraw/zinc/01/25/60/525012560.db2.gz RFKLXROOYBVGIR-RDTXWAMCSA-N 0 3 292.386 2.886 20 30 CFEDHN Cc1csc(N2CCC(N[C@@H]3CCC[C@H]3C#N)CC2)n1 ZINC000350389976 534826094 /nfs/dbraw/zinc/82/60/94/534826094.db2.gz JKFCGGAHDOUUBZ-GXTWGEPZSA-N 0 3 290.436 2.702 20 30 CFEDHN C[C@H](NCCOCC(F)(F)F)c1ccc(C#N)cc1 ZINC000049311006 525356717 /nfs/dbraw/zinc/35/67/17/525356717.db2.gz LNVJQEPPDWTANZ-JTQLQIEISA-N 0 3 272.270 2.788 20 30 CFEDHN C[C@H](NC[C@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305802365 525412588 /nfs/dbraw/zinc/41/25/88/525412588.db2.gz DZKXUKXYZMCFCD-GHJWDPDVSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@@H](NC[C@@H]1[C@H]2COC[C@H]21)c1ccc(C#N)cc1Cl ZINC000367692396 525489218 /nfs/dbraw/zinc/48/92/18/525489218.db2.gz YUQDIZDGWVWCQA-JXJLXUTGSA-N 0 3 276.767 2.755 20 30 CFEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2n[nH]cc2c1 ZINC000353102946 525512264 /nfs/dbraw/zinc/51/22/64/525512264.db2.gz QCWIHDYSSSFOSV-LLVKDONJSA-N 0 3 279.347 2.624 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@H]1CCOC1 ZINC000337211354 525519211 /nfs/dbraw/zinc/51/92/11/525519211.db2.gz AJOXIVCXPUWTAB-MFKMUULPSA-N 0 3 296.317 2.674 20 30 CFEDHN C[C@H](N[C@H]1COCC1(C)C)c1ccc(C#N)cc1F ZINC000335223739 525634267 /nfs/dbraw/zinc/63/42/67/525634267.db2.gz PCDAXBSYEOWNHU-HZMBPMFUSA-N 0 3 262.328 2.773 20 30 CFEDHN C=CCN(CCC(=O)NC1CCCC1)CCc1ccco1 ZINC000352721848 526274065 /nfs/dbraw/zinc/27/40/65/526274065.db2.gz YCXIZDPSSLYCDG-UHFFFAOYSA-N 0 3 290.407 2.759 20 30 CFEDHN CC#CCCCC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344746284 526293165 /nfs/dbraw/zinc/29/31/65/526293165.db2.gz YWKLNZCWNASNQM-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CCN1CCN(c2cccc(OC)c2)CC1 ZINC000352112515 526445782 /nfs/dbraw/zinc/44/57/82/526445782.db2.gz CDEHTTMHWMUODJ-UHFFFAOYSA-N 0 3 260.381 2.783 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@](C)(c2ccccc2)CC1 ZINC000352200990 526528941 /nfs/dbraw/zinc/52/89/41/526528941.db2.gz CSNPRQQQHDVFAN-GOSISDBHSA-N 0 3 286.419 2.732 20 30 CFEDHN C=C(C)CN(CCCCF)Cc1ccc(CO)o1 ZINC000352815446 526550487 /nfs/dbraw/zinc/55/04/87/526550487.db2.gz LZDHTWJZKLIXEU-UHFFFAOYSA-N 0 3 255.333 2.900 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCO[C@H](C)C1 ZINC000352802954 526559037 /nfs/dbraw/zinc/55/90/37/526559037.db2.gz XDKLGRBMJAEJKI-HUUCEWRRSA-N 0 3 293.407 2.965 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCO[C@@H](C)C1 ZINC000352802952 526560564 /nfs/dbraw/zinc/56/05/64/526560564.db2.gz XDKLGRBMJAEJKI-GJZGRUSLSA-N 0 3 293.407 2.965 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000106036985 526598802 /nfs/dbraw/zinc/59/88/02/526598802.db2.gz NLRAJSIPULDVLS-UHFFFAOYSA-N 0 3 294.345 2.735 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000192079009 526617042 /nfs/dbraw/zinc/61/70/42/526617042.db2.gz JZUMLRWQURVAOC-ZBFHGGJFSA-N 0 3 274.339 2.698 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(CCC(C)C)CC1 ZINC000347103161 526621461 /nfs/dbraw/zinc/62/14/61/526621461.db2.gz LYYBCMGLDHPZGT-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CNCc1ccc(Cl)cc1-n1cncn1 ZINC000352868866 526624941 /nfs/dbraw/zinc/62/49/41/526624941.db2.gz UMSGUUKVQMEAHX-UHFFFAOYSA-N 0 3 262.744 2.586 20 30 CFEDHN C=C(C)CNCc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000352868093 526624952 /nfs/dbraw/zinc/62/49/52/526624952.db2.gz RNYWWSYDJQCQSG-UHFFFAOYSA-N 0 3 289.331 2.894 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1c(C)cccc1C ZINC000354533448 526635120 /nfs/dbraw/zinc/63/51/20/526635120.db2.gz DHMHBFSJPWKJOU-KGLIPLIRSA-N 0 3 260.381 2.645 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1C ZINC000115603407 526635652 /nfs/dbraw/zinc/63/56/52/526635652.db2.gz MIXJGVNVPYHQPT-KBPBESRZSA-N 0 3 260.381 2.645 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000334802309 526637401 /nfs/dbraw/zinc/63/74/01/526637401.db2.gz DXCVXQFLWSRANH-CZUORRHYSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000334802308 526637643 /nfs/dbraw/zinc/63/76/43/526637643.db2.gz DXCVXQFLWSRANH-CJNGLKHVSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(NC(=O)CN2CCCC23CCCC3)cc1 ZINC000313859453 526651039 /nfs/dbraw/zinc/65/10/39/526651039.db2.gz JDUSZBMCSAQGSC-UHFFFAOYSA-N 0 3 283.375 2.905 20 30 CFEDHN C=C(C)COc1cc(CN2CC[C@@H](OC)C2)ccc1OC ZINC000353883171 526659727 /nfs/dbraw/zinc/65/97/27/526659727.db2.gz SBLYBWJUBZJGPP-OAHLLOKOSA-N 0 3 291.391 2.871 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1F ZINC000300291649 526703465 /nfs/dbraw/zinc/70/34/65/526703465.db2.gz HYJZQSRVVRZDPZ-OAGGEKHMSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1cccc(CNCCOc2ccc(F)cc2)c1 ZINC000340401195 526708135 /nfs/dbraw/zinc/70/81/35/526708135.db2.gz SETSNNQPPWEAEY-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN C=CCOCCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352570400 526746883 /nfs/dbraw/zinc/74/68/83/526746883.db2.gz GWBSQWDEDBYSKR-UHFFFAOYSA-N 0 3 278.352 2.662 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000336359244 526781518 /nfs/dbraw/zinc/78/15/18/526781518.db2.gz KNFFXXMWZRAAOU-KGLIPLIRSA-N 0 3 276.405 2.868 20 30 CFEDHN N#Cc1csc(CN[C@@H]2COc3ccc(F)cc3C2)c1 ZINC000336617745 526783069 /nfs/dbraw/zinc/78/30/69/526783069.db2.gz VSKLMKCXVARXPQ-ZDUSSCGKSA-N 0 3 288.347 2.852 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](O)CC2)cc1 ZINC000354751646 526867014 /nfs/dbraw/zinc/86/70/14/526867014.db2.gz CNJDMAOMHJKIFI-HNNXBMFYSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCOc1ccc(CN2CCOC[C@H](C)C2)cc1 ZINC000353727622 526869975 /nfs/dbraw/zinc/86/99/75/526869975.db2.gz ZZSVMOYQKKUFHI-CQSZACIVSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000353331912 526930142 /nfs/dbraw/zinc/93/01/42/526930142.db2.gz XCWREFPRZWPFNC-QGZVFWFLSA-N 0 3 286.419 2.920 20 30 CFEDHN C=CCOc1ccccc1CN1CCCO[C@@H](C)C1 ZINC000353441337 526932370 /nfs/dbraw/zinc/93/23/70/526932370.db2.gz MNVHUFNLTBHLJZ-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCOc1ccccc1CNCC1(CO)CCC1 ZINC000344357366 526948594 /nfs/dbraw/zinc/94/85/94/526948594.db2.gz XXYBZXVCTMZGAJ-UHFFFAOYSA-N 0 3 261.365 2.504 20 30 CFEDHN C=CC1CCN(C(=O)[C@@H](CC)N(CC)CC)CC1 ZINC000346053230 526972311 /nfs/dbraw/zinc/97/23/11/526972311.db2.gz CXCASQAJKLMRMK-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000347811808 526973255 /nfs/dbraw/zinc/97/32/55/526973255.db2.gz CTCRWNMDQBTNKB-INIZCTEOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCC(C)(C)CNC(=O)C1CCN(C2CC2)CC1 ZINC000352495846 526999874 /nfs/dbraw/zinc/99/98/74/526999874.db2.gz PEEVYDVQKGRVQS-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCSCCNCc1nc2ccccc2n1C ZINC000105462313 527003981 /nfs/dbraw/zinc/00/39/81/527003981.db2.gz RQVDAWMQOHFOJB-UHFFFAOYSA-N 0 3 261.394 2.582 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(OC)nc1OC ZINC000353559966 527034217 /nfs/dbraw/zinc/03/42/17/527034217.db2.gz MOWDXLUCFSSHAG-NEPJUHHUSA-N 0 3 264.369 2.789 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1cnnn1CC ZINC000418100270 527112055 /nfs/dbraw/zinc/11/20/55/527112055.db2.gz OJDAMPGYWREYLO-HNNXBMFYSA-N 0 3 270.380 2.575 20 30 CFEDHN C=CC[C@H](CO)CNCc1cn(C)nc1C1CCCCC1 ZINC000344331869 527187599 /nfs/dbraw/zinc/18/75/99/527187599.db2.gz XPJBMSRWANYKNH-AWEZNQCLSA-N 0 3 291.439 2.742 20 30 CFEDHN C=CCCCN1CCN(c2nc3ccccc3o2)CC1 ZINC000344604574 527198841 /nfs/dbraw/zinc/19/88/41/527198841.db2.gz SOXKRFKTDLUTQL-UHFFFAOYSA-N 0 3 271.364 2.916 20 30 CFEDHN Cn1cc(CN2CC[C@@H](Nc3ccccc3)C2)cc1C#N ZINC000191297177 527206283 /nfs/dbraw/zinc/20/62/83/527206283.db2.gz CRKREGRCMDJRAK-MRXNPFEDSA-N 0 3 280.375 2.583 20 30 CFEDHN Cn1cc(CNCCc2cccc(C#N)c2)c(C(F)F)n1 ZINC000361118786 527215752 /nfs/dbraw/zinc/21/57/52/527215752.db2.gz XJXNDACXYIEPOZ-UHFFFAOYSA-N 0 3 290.317 2.562 20 30 CFEDHN C=CCC[C@@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417906169 527438818 /nfs/dbraw/zinc/43/88/18/527438818.db2.gz BFODBSONUOWHQB-MRXNPFEDSA-N 0 3 287.407 2.699 20 30 CFEDHN CC(C)(C#N)CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000350695016 527458324 /nfs/dbraw/zinc/45/83/24/527458324.db2.gz SHIZHUFALUHNQN-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN CC(C)[C@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000347052665 527753339 /nfs/dbraw/zinc/75/33/39/527753339.db2.gz KGZVSKMUGBGTBK-QGZVFWFLSA-N 0 3 299.418 2.878 20 30 CFEDHN CCCN(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192572858 527870723 /nfs/dbraw/zinc/87/07/23/527870723.db2.gz UXLKIVZFFJSHCU-KRWDZBQOSA-N 0 3 297.402 2.928 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cccc(F)c2C#N)C[C@H]1C ZINC000428292848 527972108 /nfs/dbraw/zinc/97/21/08/527972108.db2.gz DFLSGIGODIIDFW-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN CC(C)OCC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425541590 527995145 /nfs/dbraw/zinc/99/51/45/527995145.db2.gz WZBKTKPBWOQHSV-RHSMWYFYSA-N 0 3 290.407 2.727 20 30 CFEDHN CC(C)Oc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000347068945 528207455 /nfs/dbraw/zinc/20/74/55/528207455.db2.gz MNMMBUUFWCNXTG-RYUDHWBXSA-N 0 3 260.337 2.811 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)[C@](C)(C#N)CC ZINC000351965583 528471661 /nfs/dbraw/zinc/47/16/61/528471661.db2.gz UISPHTDMKGBHHX-HOCLYGCPSA-N 0 3 279.428 2.697 20 30 CFEDHN CCN(Cc1ccc(Cl)cc1)C(=O)C(C)C#N ZINC000347075564 528781863 /nfs/dbraw/zinc/78/18/63/528781863.db2.gz SNUJIWFNCRHJQV-JTQLQIEISA-N 0 3 250.729 2.848 20 30 CFEDHN CCN1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413034777 528988217 /nfs/dbraw/zinc/98/82/17/528988217.db2.gz OFVIOPWURUOPLA-UHFFFAOYSA-N 0 3 298.312 2.868 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1cccc(OC)c1 ZINC000353835012 529051287 /nfs/dbraw/zinc/05/12/87/529051287.db2.gz CFRKAXMXUAFDCZ-VXGBXAGGSA-N 0 3 260.337 2.764 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1 ZINC000459639241 534927286 /nfs/dbraw/zinc/92/72/86/534927286.db2.gz VJQJWKRZDMSGID-TXEJJXNPSA-N 0 3 250.367 2.665 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1OC ZINC000444778342 535767631 /nfs/dbraw/zinc/76/76/31/535767631.db2.gz TXLDIYXNAQXBBK-QGZVFWFLSA-N 0 3 288.391 2.694 20 30 CFEDHN Cc1nccn1CCNC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329817500 545511503 /nfs/dbraw/zinc/51/15/03/545511503.db2.gz WRSOMXUCPAESKJ-SOUVJXGZSA-N 0 3 290.411 2.664 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804489 782169694 /nfs/dbraw/zinc/16/96/94/782169694.db2.gz KTBZCNFRSMPVLT-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC2(CC2)C1 ZINC001085810337 782171605 /nfs/dbraw/zinc/17/16/05/782171605.db2.gz AVQOJZQSUBUTFV-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)CCCCCC ZINC000744030280 574049639 /nfs/dbraw/zinc/04/96/39/574049639.db2.gz CEHKFAPOZGXAMO-STQMWFEESA-N 0 3 264.369 2.604 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCN(C2CC2)C1 ZINC000754008498 574063104 /nfs/dbraw/zinc/06/31/04/574063104.db2.gz VRTAYDOBULGJRB-CQSZACIVSA-N 0 3 283.375 2.657 20 30 CFEDHN C=C(C)CCOC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000744299518 574064640 /nfs/dbraw/zinc/06/46/40/574064640.db2.gz FMBCINAMJOUAKD-CQSZACIVSA-N 0 3 291.322 2.688 20 30 CFEDHN COC[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000756233229 574085080 /nfs/dbraw/zinc/08/50/80/574085080.db2.gz AGQGRJFEERZVGY-MNOVXSKESA-N 0 3 272.304 2.677 20 30 CFEDHN CCC#C[C@H](C)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754407583 574094408 /nfs/dbraw/zinc/09/44/08/574094408.db2.gz HFDUUSSHSAXRAM-GXTWGEPZSA-N 0 3 280.412 2.681 20 30 CFEDHN CCN(Cc1ccc(F)cc1C#N)C[C@H]1CCOC1 ZINC000728688110 574105031 /nfs/dbraw/zinc/10/50/31/574105031.db2.gz GZYVISNJZZLXOI-GFCCVEGCSA-N 0 3 262.328 2.556 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000731213546 574113164 /nfs/dbraw/zinc/11/31/64/574113164.db2.gz YXZYUFOXPCCQGO-MRXNPFEDSA-N 0 3 296.374 2.623 20 30 CFEDHN C=CCc1cc(C[N@H+](C)CC(C)(C)OC)c([O-])c(OC)c1 ZINC000754738437 574117406 /nfs/dbraw/zinc/11/74/06/574117406.db2.gz BRLRBYFXOJNDQC-UHFFFAOYSA-N 0 3 293.407 2.986 20 30 CFEDHN C=CCc1cc(C[N@@H+](C)CC(C)(C)OC)c([O-])c(OC)c1 ZINC000754738437 574117407 /nfs/dbraw/zinc/11/74/07/574117407.db2.gz BRLRBYFXOJNDQC-UHFFFAOYSA-N 0 3 293.407 2.986 20 30 CFEDHN CCCCCCN(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000731870538 574131379 /nfs/dbraw/zinc/13/13/79/574131379.db2.gz PHIHJXSGKPZRQO-CQSZACIVSA-N 0 3 267.417 2.507 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000755086443 574137344 /nfs/dbraw/zinc/13/73/44/574137344.db2.gz KYABWLOKJHPYKK-STQMWFEESA-N 0 3 293.411 2.573 20 30 CFEDHN C#CCN(Cc1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000746147630 574137316 /nfs/dbraw/zinc/13/73/16/574137316.db2.gz NHMBILDQDKMTDG-UHFFFAOYSA-N 0 3 277.364 2.556 20 30 CFEDHN C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CCCCC1 ZINC000746178883 574138909 /nfs/dbraw/zinc/13/89/09/574138909.db2.gz UVPVAVXGMVQBJI-GJZGRUSLSA-N 0 3 276.424 2.654 20 30 CFEDHN C=CC[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000746270443 574142014 /nfs/dbraw/zinc/14/20/14/574142014.db2.gz XWMXRRZPWBUHCQ-IJEWVQPXSA-N 0 3 287.407 2.688 20 30 CFEDHN C=CC[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccncc1 ZINC000746270441 574142232 /nfs/dbraw/zinc/14/22/32/574142232.db2.gz XWMXRRZPWBUHCQ-DZKIICNBSA-N 0 3 287.407 2.688 20 30 CFEDHN CCCCCCCCNC(=O)C1CCN(C)CC1 ZINC000755216661 574147908 /nfs/dbraw/zinc/14/79/08/574147908.db2.gz WSXFLQNLONYQSW-UHFFFAOYSA-N 0 3 254.418 2.805 20 30 CFEDHN CN(CCCC(C)(C)C#N)Cc1cccc(C(N)=O)c1 ZINC000746663066 574161111 /nfs/dbraw/zinc/16/11/11/574161111.db2.gz NHHPLFQKOSYNHI-UHFFFAOYSA-N 0 3 273.380 2.547 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)c1ccccc1 ZINC000729069678 574167477 /nfs/dbraw/zinc/16/74/77/574167477.db2.gz LKXZJVATIUDNKW-UKRRQHHQSA-N 0 3 284.359 2.581 20 30 CFEDHN N#CC(C(=O)C=Cc1ccsc1)C(=O)Nc1ccccn1 ZINC000747021101 574175610 /nfs/dbraw/zinc/17/56/10/574175610.db2.gz OZWJISRSJBZCMS-QMAVJUDZSA-N 0 3 297.339 2.504 20 30 CFEDHN C#CCOc1ccc(CN[C@H](CO)c2ccccc2C)cc1 ZINC000747100240 574179802 /nfs/dbraw/zinc/17/98/02/574179802.db2.gz GKSJHSLRDRLOQC-LJQANCHMSA-N 0 3 295.382 2.830 20 30 CFEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000747108635 574180526 /nfs/dbraw/zinc/18/05/26/574180526.db2.gz IRZXIGBRZYYPTQ-CBAPKCEASA-N 0 3 299.157 2.552 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCSCC1 ZINC000733052585 574184693 /nfs/dbraw/zinc/18/46/93/574184693.db2.gz CEXIYTAKYQYVIN-CYBMUJFWSA-N 0 3 296.436 2.535 20 30 CFEDHN C=C(C)CNC(=S)Nc1cnccc1N1CCCCC1 ZINC000733087719 574188700 /nfs/dbraw/zinc/18/87/00/574188700.db2.gz XFEVRPULFOJNLB-UHFFFAOYSA-N 0 3 290.436 2.934 20 30 CFEDHN CCC1(C(=O)C(C#N)c2nc3ccccc3s2)COC1 ZINC000756222415 574217501 /nfs/dbraw/zinc/21/75/01/574217501.db2.gz DAGDOIRHTAXKDQ-SNVBAGLBSA-N 0 3 286.356 2.899 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC000740737715 574264829 /nfs/dbraw/zinc/26/48/29/574264829.db2.gz KCAJCNPFFDPANM-INIZCTEOSA-N 0 3 298.430 2.784 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2cc(C)sc2C)CC1 ZINC000740736224 574264925 /nfs/dbraw/zinc/26/49/25/574264925.db2.gz JZBBOPIYPRFRNI-UHFFFAOYSA-N 0 3 290.432 2.582 20 30 CFEDHN C=C(C)CNC(=S)Nc1cc(CN(C)C)ccc1C ZINC000749014532 574276827 /nfs/dbraw/zinc/27/68/27/574276827.db2.gz XRNKNQQWUNPVEI-UHFFFAOYSA-N 0 3 277.437 2.919 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNCCOC2CCC2)cc1 ZINC000742385609 574279612 /nfs/dbraw/zinc/27/96/12/574279612.db2.gz KWBGHYFVHUAODG-CYBMUJFWSA-N 0 3 274.364 2.636 20 30 CFEDHN CCC(CC)NN=Cc1ccc(N2CCOCC2)cc1 ZINC000734366090 574283780 /nfs/dbraw/zinc/28/37/80/574283780.db2.gz DXZLFKWOBRTQAW-UHFFFAOYSA-N 0 3 275.396 2.635 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)cn2)CCN1C ZINC000741452823 574290822 /nfs/dbraw/zinc/29/08/22/574290822.db2.gz HCIDCCZYDAORBE-SECBINFHSA-N 0 3 286.301 2.982 20 30 CFEDHN C[C@@H]1CC(N=Nc2nc(-c3ccccc3)no2)CCN1C ZINC000741464661 574291814 /nfs/dbraw/zinc/29/18/14/574291814.db2.gz SGCKKYKBQLKLRQ-LLVKDONJSA-N 0 3 285.351 2.619 20 30 CFEDHN C=C(Cl)CN(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000749445600 574295333 /nfs/dbraw/zinc/29/53/33/574295333.db2.gz UWSLYHTUDCSHTN-OAHLLOKOSA-N 0 3 264.800 2.945 20 30 CFEDHN CC#CCN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000741779275 574302519 /nfs/dbraw/zinc/30/25/19/574302519.db2.gz SMYZMOFMGWRQSN-CQSZACIVSA-N 0 3 280.412 2.589 20 30 CFEDHN CCOCCCN1CCC(=NOCC(C)C)[C@@H](C)C1 ZINC000749625969 574303285 /nfs/dbraw/zinc/30/32/85/574303285.db2.gz KPPMRYQMEUMKHF-AWEZNQCLSA-N 0 3 270.417 2.783 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000743491149 574306905 /nfs/dbraw/zinc/30/69/05/574306905.db2.gz CBYYGJYVIGUHLH-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN C[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000725780131 574307049 /nfs/dbraw/zinc/30/70/49/574307049.db2.gz XDYIZKJROKRLIY-CYBMUJFWSA-N 0 3 266.348 2.721 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=S)N[C@@H](C)CC)C(C)C ZINC000749767227 574308541 /nfs/dbraw/zinc/30/85/41/574308541.db2.gz ZECNFAGVWMFQPG-LSDHHAIUSA-N 0 3 297.512 2.948 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000735206494 574316518 /nfs/dbraw/zinc/31/65/18/574316518.db2.gz LDHBVHRAMUAOJL-BIPYJSMBSA-N 0 3 286.331 2.699 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@H]3C)nc21 ZINC000735793130 574335811 /nfs/dbraw/zinc/33/58/11/574335811.db2.gz QRYCKBYCQOBHHT-OUAUKWLOSA-N 0 3 253.305 2.704 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3C[C@H]3C)[nH]c21 ZINC000735793130 574335815 /nfs/dbraw/zinc/33/58/15/574335815.db2.gz QRYCKBYCQOBHHT-OUAUKWLOSA-N 0 3 253.305 2.704 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCCO3)nc21 ZINC000735792939 574335999 /nfs/dbraw/zinc/33/59/99/574335999.db2.gz PBJUFUFXVSSCHM-NEPJUHHUSA-N 0 3 283.331 2.617 20 30 CFEDHN C#CCOc1ccc(F)cc1NC(=O)C(C)C(F)(F)F ZINC000742707710 574340869 /nfs/dbraw/zinc/34/08/69/574340869.db2.gz OSRDFNYAFOONPC-QMMMGPOBSA-N 0 3 289.228 2.975 20 30 CFEDHN C=CCN1CCC(NC(=O)C(CC)(CC)CC)CC1 ZINC000675454794 574370085 /nfs/dbraw/zinc/37/00/85/574370085.db2.gz OQEJCGZCVCDYQK-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCCC2)C1 ZINC000743864553 574375119 /nfs/dbraw/zinc/37/51/19/574375119.db2.gz KLXAMIIYPOYJMF-ZBFHGGJFSA-N 0 3 291.439 2.695 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000744025153 574375764 /nfs/dbraw/zinc/37/57/64/574375764.db2.gz HMOMFLDUPZQMAX-UTPRNQHHSA-N 0 3 288.734 2.954 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CCOC3)nc21 ZINC000751846642 574383719 /nfs/dbraw/zinc/38/37/19/574383719.db2.gz ZVUTXAPLNCPSCD-CHWSQXEVSA-N 0 3 297.358 2.864 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CCOC3)[nH]c21 ZINC000751846642 574383720 /nfs/dbraw/zinc/38/37/20/574383720.db2.gz ZVUTXAPLNCPSCD-CHWSQXEVSA-N 0 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ZINC000933242754 618173661 /nfs/dbraw/zinc/17/36/61/618173661.db2.gz JQTJTVYNHFRAPL-CYBMUJFWSA-N 0 3 289.297 2.531 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)CCC1 ZINC000933300351 618194451 /nfs/dbraw/zinc/19/44/51/618194451.db2.gz ZFIVFPOPDGZGSI-CYBMUJFWSA-N 0 3 298.386 2.752 20 30 CFEDHN C=C(C)COCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169091766 618205032 /nfs/dbraw/zinc/20/50/32/618205032.db2.gz SPVPZGQZIKYNEO-UHFFFAOYSA-N 0 3 285.771 2.737 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001023613346 618205976 /nfs/dbraw/zinc/20/59/76/618205976.db2.gz IYUMLMNZHNOIPH-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN COc1cc(C#N)ccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000933376781 618214549 /nfs/dbraw/zinc/21/45/49/618214549.db2.gz WSUPBDHODYRSCB-INIZCTEOSA-N 0 3 286.375 2.758 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001023733451 618219396 /nfs/dbraw/zinc/21/93/96/618219396.db2.gz LJOXXARFDVXGJK-KRWDZBQOSA-N 0 3 298.430 2.714 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(C(F)F)ncn2)CC1 ZINC000892395332 618223948 /nfs/dbraw/zinc/22/39/48/618223948.db2.gz DRJQCVDSARORPN-UHFFFAOYSA-N 0 3 282.338 2.867 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001023768056 618224077 /nfs/dbraw/zinc/22/40/77/618224077.db2.gz LPWFKIGSGMWMJU-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3[nH]cc(CC)c32)CC1 ZINC000892397196 618224722 /nfs/dbraw/zinc/22/47/22/618224722.db2.gz SLDQUTJKSXSEHQ-UHFFFAOYSA-N 0 3 285.395 2.583 20 30 CFEDHN C=CCN1CCC[C@H](CNC(=O)c2ccc(F)s2)C1 ZINC001023774202 618225039 /nfs/dbraw/zinc/22/50/39/618225039.db2.gz BFKYDITXRJGJHG-LLVKDONJSA-N 0 3 282.384 2.515 20 30 CFEDHN C#CC1CCN(Cc2cc(C)cc(OC)c2OC)CC1 ZINC000895084029 618274662 /nfs/dbraw/zinc/27/46/62/618274662.db2.gz DHSCEKOSZQTELD-UHFFFAOYSA-N 0 3 273.376 2.857 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001024295458 618290468 /nfs/dbraw/zinc/29/04/68/618290468.db2.gz JJHKJBKLVAASID-MRXNPFEDSA-N 0 3 290.382 2.986 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001024308316 618291240 /nfs/dbraw/zinc/29/12/40/618291240.db2.gz DUIJXUUROZHXKJ-MRXNPFEDSA-N 0 3 290.382 2.986 20 30 CFEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024312781 618292529 /nfs/dbraw/zinc/29/25/29/618292529.db2.gz OAFLTOBVHGRLPH-ZDUSSCGKSA-N 0 3 278.421 2.909 20 30 CFEDHN C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001024336870 618295892 /nfs/dbraw/zinc/29/58/92/618295892.db2.gz ISQIAYPNOYXRFR-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001024336870 618295894 /nfs/dbraw/zinc/29/58/94/618295894.db2.gz ISQIAYPNOYXRFR-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1cncs1 ZINC001024349785 618298469 /nfs/dbraw/zinc/29/84/69/618298469.db2.gz GCGJMGDVEGDNOD-CYBMUJFWSA-N 0 3 293.436 2.694 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1noc2c1COCC2 ZINC000930918452 618333431 /nfs/dbraw/zinc/33/34/31/618333431.db2.gz AHKUKFWSAZQVJT-OCCSQVGLSA-N 0 3 276.380 2.972 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cc(O)cc(F)c1 ZINC000925631182 618358548 /nfs/dbraw/zinc/35/85/48/618358548.db2.gz GCSQJJMWLKYMJD-LLVKDONJSA-N 0 3 253.317 2.775 20 30 CFEDHN CCC[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160719 618408309 /nfs/dbraw/zinc/40/83/09/618408309.db2.gz OYNQFNNTINSZJH-HZPDHXFCSA-N 0 3 290.407 2.758 20 30 CFEDHN O=C1[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCCN1[O-] ZINC000895162876 618410990 /nfs/dbraw/zinc/41/09/90/618410990.db2.gz OUDBKGQUZYUCGK-ARFHVFGLSA-N 0 3 288.391 2.683 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024608450 618413827 /nfs/dbraw/zinc/41/38/27/618413827.db2.gz PMRYYEZKPPWHLX-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024683106 618441011 /nfs/dbraw/zinc/44/10/11/618441011.db2.gz MWGKMCPWOFAYOY-HNNXBMFYSA-N 0 3 289.423 2.792 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cc(C)cc(OC)c2OC)C1 ZINC000895184400 618447732 /nfs/dbraw/zinc/44/77/32/618447732.db2.gz UPPNPFCRZYYGKH-CQSZACIVSA-N 0 3 273.376 2.857 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@@H](C(F)(F)F)CC1 ZINC000877821545 618468384 /nfs/dbraw/zinc/46/83/84/618468384.db2.gz YNALTMATBIYXHJ-LLVKDONJSA-N 0 3 278.318 2.970 20 30 CFEDHN C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000320190196 618506994 /nfs/dbraw/zinc/50/69/94/618506994.db2.gz BANOOBJTNYNLCH-JQWIXIFHSA-N 0 3 253.317 2.509 20 30 CFEDHN C[C@]1(Br)C[C@H]1CN1CCC[C@H](CC#N)C1 ZINC000895312960 618529890 /nfs/dbraw/zinc/52/98/90/618529890.db2.gz AOUUTJTXKRGKRK-WOPDTQHZSA-N 0 3 271.202 2.786 20 30 CFEDHN C=CCC1(NCc2c(Cl)c(C)nn2C)CCOCC1 ZINC000895366029 618552300 /nfs/dbraw/zinc/55/23/00/618552300.db2.gz IHNRWFSYZOKLRE-UHFFFAOYSA-N 0 3 283.803 2.597 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc3nc(C)sc3c2)CC1 ZINC000895384639 618561477 /nfs/dbraw/zinc/56/14/77/618561477.db2.gz QWTMJIUQWQJGIY-UHFFFAOYSA-N 0 3 286.400 2.565 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)NCCN1CCC(C)CC1 ZINC000892652898 618675972 /nfs/dbraw/zinc/67/59/72/618675972.db2.gz FCOIGUDIQHRWAO-UHFFFAOYSA-N 0 3 299.418 2.637 20 30 CFEDHN N#Cc1ccc(N2CCN(C3CC4(C3)CCCC4)CC2)cn1 ZINC000926822864 618723425 /nfs/dbraw/zinc/72/34/25/618723425.db2.gz LWIUVUZOMXMOOF-UHFFFAOYSA-N 0 3 296.418 2.798 20 30 CFEDHN COc1cccc2c1OC[C@@H](NCC#Cc1ccccc1)C2 ZINC000892874045 618761235 /nfs/dbraw/zinc/76/12/35/618761235.db2.gz FZLQNHGEVIAETA-KRWDZBQOSA-N 0 3 293.366 2.640 20 30 CFEDHN COC(=O)CC(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC000178329768 618791065 /nfs/dbraw/zinc/79/10/65/618791065.db2.gz ZEOPTEILJOEVMF-UHFFFAOYSA-N 0 3 279.767 2.623 20 30 CFEDHN C[C@H](C#N)CNC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893545116 619061599 /nfs/dbraw/zinc/06/15/99/619061599.db2.gz QKJKEIBOAPQSKQ-CZUORRHYSA-N 0 3 295.427 2.773 20 30 CFEDHN C[C@@H](c1ccccc1)N1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125307 619116936 /nfs/dbraw/zinc/11/69/36/619116936.db2.gz DBCDUSHFGABEJE-INIZCTEOSA-N 0 3 296.414 2.695 20 30 CFEDHN N=C(N)NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000250770872 619168636 /nfs/dbraw/zinc/16/86/36/619168636.db2.gz ZOOJMJVSZSTWKP-UHFFFAOYSA-N 0 3 298.190 2.541 20 30 CFEDHN C=C(C)CNCc1cnc(CC(F)(F)F)s1 ZINC000893893650 619240929 /nfs/dbraw/zinc/24/09/29/619240929.db2.gz CEZVQUXGTQTOTB-UHFFFAOYSA-N 0 3 250.289 2.914 20 30 CFEDHN N#C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000928227232 619325776 /nfs/dbraw/zinc/32/57/76/619325776.db2.gz WCWDVAHJLOMTJT-INIZCTEOSA-N 0 3 297.402 2.658 20 30 CFEDHN C=C(C)CCNCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000894710909 619449397 /nfs/dbraw/zinc/44/93/97/619449397.db2.gz FBLNXQXWVYCPIY-UHFFFAOYSA-N 0 3 292.383 2.879 20 30 CFEDHN C=CC(C)(C)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000894767003 619462855 /nfs/dbraw/zinc/46/28/55/619462855.db2.gz ZBPVSTNTGAXJHG-CHWSQXEVSA-N 0 3 293.411 2.973 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@H]2C)CCCCC1 ZINC000928433111 619463242 /nfs/dbraw/zinc/46/32/42/619463242.db2.gz LABQEPZSSLWGCB-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H](CF)C1 ZINC000895544676 619551998 /nfs/dbraw/zinc/55/19/98/619551998.db2.gz NLVUVZROGZDUCW-AWEZNQCLSA-N 0 3 275.371 2.806 20 30 CFEDHN C=CCCCN(CC)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000895628198 619571351 /nfs/dbraw/zinc/57/13/51/619571351.db2.gz YYRMIGYOLPFAHL-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN C[C@@]1(CNCc2cccc(C#N)n2)OCCc2ccccc21 ZINC000895638420 619574551 /nfs/dbraw/zinc/57/45/51/619574551.db2.gz FRWWBOGFDDBIFN-SFHVURJKSA-N 0 3 293.370 2.531 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000895713165 619588741 /nfs/dbraw/zinc/58/87/41/619588741.db2.gz KMABWXZJGYKWDR-GFCCVEGCSA-N 0 3 299.798 2.861 20 30 CFEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000895785159 619606330 /nfs/dbraw/zinc/60/63/30/619606330.db2.gz REQSFVMPNWIZMN-QIRAZROLSA-N 0 3 275.783 2.988 20 30 CFEDHN C#CCN1CCC(Nc2cc(C(F)(F)F)cc(C)n2)CC1 ZINC000895810815 619610101 /nfs/dbraw/zinc/61/01/01/619610101.db2.gz COGIGAKCVVGTMR-UHFFFAOYSA-N 0 3 297.324 2.918 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]3CSC[C@@H]3C2)cs1 ZINC000895843102 619617683 /nfs/dbraw/zinc/61/76/83/619617683.db2.gz NGUBGZGODDTKBB-RYUDHWBXSA-N 0 3 264.419 2.805 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc(O)ccc1F ZINC000883392113 619718960 /nfs/dbraw/zinc/71/89/60/619718960.db2.gz AOUODXLQSSOEPC-QWRGUYRKSA-N 0 3 253.317 2.509 20 30 CFEDHN Cc1cc(CO)cc(C)c1CNCC#Cc1ccccc1 ZINC000896559174 619760395 /nfs/dbraw/zinc/76/03/95/619760395.db2.gz VLFXCIHFSORGCE-UHFFFAOYSA-N 0 3 279.383 2.937 20 30 CFEDHN C[C@H]1C[C@@H]1c1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897398342 620095647 /nfs/dbraw/zinc/09/56/47/620095647.db2.gz BASKKUMMIGDABX-WFASDCNBSA-N 0 3 296.374 2.871 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(F)c(Cl)c1 ZINC000832530052 625404236 /nfs/dbraw/zinc/40/42/36/625404236.db2.gz VXBUEXMFAVWTNS-UHFFFAOYSA-N 0 3 269.747 2.951 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC000989125929 620232778 /nfs/dbraw/zinc/23/27/78/620232778.db2.gz PVXMWXIBMCJPRJ-OCCSQVGLSA-N 0 3 298.411 2.727 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CCCC)cc2)C1 ZINC000989142125 620233997 /nfs/dbraw/zinc/23/39/97/620233997.db2.gz IHHXLQJULWRYHB-MAUKXSAKSA-N 0 3 298.430 2.855 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2csc3ccccc23)C1 ZINC000989258443 620241193 /nfs/dbraw/zinc/24/11/93/620241193.db2.gz HKXFLBXBWNKSCD-QWHCGFSZSA-N 0 3 298.411 2.727 20 30 CFEDHN Cc1n[nH]cc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897589538 620252927 /nfs/dbraw/zinc/25/29/27/620252927.db2.gz NKJFZPHCTMIISG-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN CSC1(CN(C)Cc2cc(C#N)cs2)CC1 ZINC000897624501 620261765 /nfs/dbraw/zinc/26/17/65/620261765.db2.gz MEUQOHOUJJMFDD-UHFFFAOYSA-N 0 3 252.408 2.947 20 30 CFEDHN CO[C@@](C)(CN(C)Cc1cc(C#N)cs1)C1CC1 ZINC000897624599 620261989 /nfs/dbraw/zinc/26/19/89/620261989.db2.gz QXKWGYZANIKYAB-AWEZNQCLSA-N 0 3 264.394 2.867 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC1CC(CCO)C1 ZINC000898011680 620317258 /nfs/dbraw/zinc/31/72/58/620317258.db2.gz SVRDPPMMYFOFPB-UHFFFAOYSA-N 0 3 293.794 2.603 20 30 CFEDHN COC1(CNCc2ccc(C#N)o2)CCCCCC1 ZINC000898264030 620360557 /nfs/dbraw/zinc/36/05/57/620360557.db2.gz RPQBYTMBJGEZBU-UHFFFAOYSA-N 0 3 262.353 2.980 20 30 CFEDHN C=CCCN1CCCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000989528339 620380899 /nfs/dbraw/zinc/38/08/99/620380899.db2.gz CUUGQRMAUWDBIL-UHFFFAOYSA-N 0 3 292.345 2.685 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000989732289 620388269 /nfs/dbraw/zinc/38/82/69/620388269.db2.gz LJCVQJMIGBSKGV-UHFFFAOYSA-N 0 3 290.407 2.631 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc3ccccc32)C1 ZINC000989746160 620388913 /nfs/dbraw/zinc/38/89/13/620388913.db2.gz UQRQMNRTKVASGL-HOCLYGCPSA-N 0 3 292.382 2.666 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCC2CCCCC2)C1 ZINC000989748991 620389206 /nfs/dbraw/zinc/38/92/06/620389206.db2.gz SFTGLMFILDDWNN-ZBFHGGJFSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC000989779228 620392277 /nfs/dbraw/zinc/39/22/77/620392277.db2.gz OLEFNIMTDAKFBZ-QAPCUYQASA-N 0 3 298.430 2.711 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000989829747 620393385 /nfs/dbraw/zinc/39/33/85/620393385.db2.gz VZQHCDRJEHHDSK-DZGCQCFKSA-N 0 3 296.370 2.567 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)cc3)CCC[C@H]12 ZINC000989910707 620401852 /nfs/dbraw/zinc/40/18/52/620401852.db2.gz YRHQGZAYALLFHJ-RDJZCZTQSA-N 0 3 288.366 2.739 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989922389 620402116 /nfs/dbraw/zinc/40/21/16/620402116.db2.gz PEKJOUMFJZWHGO-FUHWJXTLSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989921581 620402248 /nfs/dbraw/zinc/40/22/48/620402248.db2.gz IMPMLRQQKKYISS-FUHWJXTLSA-N 0 3 284.403 2.908 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C=C3CCCCC3)CCC[C@@H]12 ZINC000989998593 620407483 /nfs/dbraw/zinc/40/74/83/620407483.db2.gz GIUUVEDEYYYQKU-SJLPKXTDSA-N 0 3 286.419 2.623 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)CC3=CCCCC3)CCC[C@H]12 ZINC000990060060 620408354 /nfs/dbraw/zinc/40/83/54/620408354.db2.gz ZICROSLISXDLQV-WMZOPIPTSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@@H]12 ZINC000990149066 620410067 /nfs/dbraw/zinc/41/00/67/620410067.db2.gz LONBHOGFLZVYHJ-FZKQIMNGSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1OCC ZINC000832624676 625429522 /nfs/dbraw/zinc/42/95/22/625429522.db2.gz IPJQFRUZZRZWQF-GHMZBOCLSA-N 0 3 262.191 2.832 20 30 CFEDHN C[C@@H](NCCNc1ccc(C#N)cn1)c1ccccc1F ZINC000927168079 620521805 /nfs/dbraw/zinc/52/18/05/620521805.db2.gz ISLNHTNGKDJBHY-GFCCVEGCSA-N 0 3 284.338 2.855 20 30 CFEDHN C=CCCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000902669062 621148788 /nfs/dbraw/zinc/14/87/88/621148788.db2.gz ISVKOVZQEMXOTP-OAHLLOKOSA-N 0 3 277.364 2.606 20 30 CFEDHN C=CCCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000902669062 621148790 /nfs/dbraw/zinc/14/87/90/621148790.db2.gz ISVKOVZQEMXOTP-OAHLLOKOSA-N 0 3 277.364 2.606 20 30 CFEDHN C[C@H](NC[C@H](c1ccccc1)N(C)C)c1cc(C#N)ccn1 ZINC000902724872 621158115 /nfs/dbraw/zinc/15/81/15/621158115.db2.gz KYHPDNZDTDJEOB-KBXCAEBGSA-N 0 3 294.402 2.907 20 30 CFEDHN C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902733972 621160922 /nfs/dbraw/zinc/16/09/22/621160922.db2.gz RVUBZPGJKMHNLG-DOMZBBRYSA-N 0 3 279.343 2.608 20 30 CFEDHN CCCC[C@H](COC)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902808072 621175578 /nfs/dbraw/zinc/17/55/78/621175578.db2.gz BNXBXBALOLREKI-GXTWGEPZSA-N 0 3 261.369 2.809 20 30 CFEDHN C[C@H](NCC1(O)CCCCCC1)c1cc(C#N)ccn1 ZINC000902808747 621176332 /nfs/dbraw/zinc/17/63/32/621176332.db2.gz MNUCBWPHKQVIQN-ZDUSSCGKSA-N 0 3 273.380 2.689 20 30 CFEDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000902818189 621181023 /nfs/dbraw/zinc/18/10/23/621181023.db2.gz KTMHTSCYTLKCRQ-VBNZEHGJSA-N 0 3 285.391 2.952 20 30 CFEDHN C[C@H](NCCCC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000902830661 621185880 /nfs/dbraw/zinc/18/58/80/621185880.db2.gz PVGPRXYLVSVRFL-LBPRGKRZSA-N 0 3 289.379 2.726 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902898417 621197264 /nfs/dbraw/zinc/19/72/64/621197264.db2.gz ZQIBBWCTCJGMAL-YIKOMLBNSA-N 0 3 273.380 2.663 20 30 CFEDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cc(C#N)ccn1 ZINC000902889753 621200480 /nfs/dbraw/zinc/20/04/80/621200480.db2.gz QFHOKMUTYKJYQF-GFCCVEGCSA-N 0 3 296.330 2.755 20 30 CFEDHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1cc(C#N)ccn1 ZINC000902941773 621206837 /nfs/dbraw/zinc/20/68/37/621206837.db2.gz HYUVOJMMANUFGK-FZMZJTMJSA-N 0 3 273.380 2.950 20 30 CFEDHN C[C@H](NC[C@H](O)CCc1ccccc1)c1cc(C#N)ccn1 ZINC000902950273 621212533 /nfs/dbraw/zinc/21/25/33/621212533.db2.gz GIDROAGHKCPNAU-WMLDXEAASA-N 0 3 295.386 2.598 20 30 CFEDHN CCOC[C@H](N[C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902969916 621214791 /nfs/dbraw/zinc/21/47/91/621214791.db2.gz ISFUQXPPAXMQDV-DOMZBBRYSA-N 0 3 261.369 2.665 20 30 CFEDHN C[C@H](NC[C@H](CO)CC1CCCC1)c1cc(C#N)ccn1 ZINC000902979960 621216744 /nfs/dbraw/zinc/21/67/44/621216744.db2.gz WMFZIMOWDIEYCN-XJKSGUPXSA-N 0 3 287.407 2.793 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902982601 621217119 /nfs/dbraw/zinc/21/71/19/621217119.db2.gz LUOFUAUORKDJJC-KSSFIOAISA-N 0 3 295.386 2.954 20 30 CFEDHN C[C@@H](NC[C@@H](CO)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000903019098 621222953 /nfs/dbraw/zinc/22/29/53/621222953.db2.gz KEPSUZNXFMJTFF-DOMZBBRYSA-N 0 3 299.349 2.519 20 30 CFEDHN Cc1cccnc1CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903007732 621228178 /nfs/dbraw/zinc/22/81/78/621228178.db2.gz GRHBORPSZIYUOV-CYBMUJFWSA-N 0 3 266.348 2.550 20 30 CFEDHN C[C@@H](N[C@H]1C[C@@H](OC(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000903037789 621231216 /nfs/dbraw/zinc/23/12/16/621231216.db2.gz QMUFQNOKAXPUES-BNOWGMLFSA-N 0 3 273.380 2.950 20 30 CFEDHN CO[C@@](C)([C@@H](C)N[C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903020366 621232646 /nfs/dbraw/zinc/23/26/46/621232646.db2.gz YITIBTWJMNKDAV-OZVIIMIRSA-N 0 3 273.380 2.807 20 30 CFEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@@H]1CCCCO1 ZINC000903043498 621232964 /nfs/dbraw/zinc/23/29/64/621232964.db2.gz AZPOYBKEGGZMSM-INWMFGNUSA-N 0 3 273.380 2.952 20 30 CFEDHN C[C@@H](N[C@H](CO)CC1CCCCC1)c1cc(C#N)ccn1 ZINC000903022302 621233385 /nfs/dbraw/zinc/23/33/85/621233385.db2.gz HCBIUOXBVLTKPE-CJNGLKHVSA-N 0 3 287.407 2.935 20 30 CFEDHN CCC[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)OCC ZINC000903064735 621238624 /nfs/dbraw/zinc/23/86/24/621238624.db2.gz RLRDBEBJRGNGNN-JSGCOSHPSA-N 0 3 261.369 2.809 20 30 CFEDHN C[C@@H](N[C@@H]1CCC[C@]12CCCO2)c1cc(C#N)ccn1 ZINC000903088634 621248246 /nfs/dbraw/zinc/24/82/46/621248246.db2.gz MQXBMTYKRUFVDE-WQVCFCJDSA-N 0 3 271.364 2.706 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903109673 621256651 /nfs/dbraw/zinc/25/66/51/621256651.db2.gz HOBYVXBWUGWHMB-NXEZZACHSA-N 0 3 250.298 2.829 20 30 CFEDHN C[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903092711 621257493 /nfs/dbraw/zinc/25/74/93/621257493.db2.gz DNSYAQIRVJBFSS-ZFWWWQNUSA-N 0 3 285.391 2.953 20 30 CFEDHN C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903092707 621257840 /nfs/dbraw/zinc/25/78/40/621257840.db2.gz DNSYAQIRVJBFSS-HIFRSBDPSA-N 0 3 285.391 2.953 20 30 CFEDHN C[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(C#N)cc1 ZINC000903201266 621283965 /nfs/dbraw/zinc/28/39/65/621283965.db2.gz HHSHXRGPHRIBBQ-CYBMUJFWSA-N 0 3 280.375 2.870 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288580 621319634 /nfs/dbraw/zinc/31/96/34/621319634.db2.gz ZDTIFWRCFMPMFG-MDZLAQPJSA-N 0 3 259.309 2.938 20 30 CFEDHN CC[C@@H](N[C@@H]1CCCN(CC)C1=O)c1ccc(C#N)cc1 ZINC000903387674 621358696 /nfs/dbraw/zinc/35/86/96/621358696.db2.gz IDYYPSQXXJFXNG-HZPDHXFCSA-N 0 3 285.391 2.610 20 30 CFEDHN N#Cc1cc(-c2ccc([C@]3(O)CCC[NH2+]C3)cc2)ccc1[O-] ZINC000904795679 621648981 /nfs/dbraw/zinc/64/89/81/621648981.db2.gz UUXMFCRTGJUYFO-SFHVURJKSA-N 0 3 294.354 2.502 20 30 CFEDHN CCN(CC)c1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905081077 621690670 /nfs/dbraw/zinc/69/06/70/621690670.db2.gz PAAMTWNBZUDIOK-XBUHWIKASA-N 0 3 296.374 2.965 20 30 CFEDHN CCc1ccc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905081592 621691701 /nfs/dbraw/zinc/69/17/01/621691701.db2.gz RYJSIUSVLBEIDW-OITNDJBGSA-N 0 3 259.334 2.743 20 30 CFEDHN CCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905082454 621691794 /nfs/dbraw/zinc/69/17/94/621691794.db2.gz WLVCAUDBHYXHAK-RLIURORJSA-N 0 3 283.331 2.908 20 30 CFEDHN CC1/C(=C\c2cccc3c2CCC3)C(=O)c2ncnn21 ZINC000905083042 621691813 /nfs/dbraw/zinc/69/18/13/621691813.db2.gz AUYDVZTZSLKRBL-WWNSAXIVSA-N 0 3 265.316 2.608 20 30 CFEDHN CCOc1cc(F)cc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905085471 621692733 /nfs/dbraw/zinc/69/27/33/621692733.db2.gz NJSUYPHKDMGVLC-JHFYRWCBSA-N 0 3 287.294 2.657 20 30 CFEDHN C=CC[C@@H](NC[C@](O)(CC)C(F)(F)F)c1ccncc1 ZINC000905122450 621703718 /nfs/dbraw/zinc/70/37/18/621703718.db2.gz ZHSRULJBNRGHNG-CHWSQXEVSA-N 0 3 288.313 2.992 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@@]12CCC[C@@H]1N(CC=C)CC2 ZINC000991065462 621803789 /nfs/dbraw/zinc/80/37/89/621803789.db2.gz FNRXDMGGUHVOBV-FUHWJXTLSA-N 0 3 299.418 2.587 20 30 CFEDHN C[C@@]1(CNC[C@H](C#N)CCC#N)CCOC2(CCC2)C1 ZINC000905842676 621874560 /nfs/dbraw/zinc/87/45/60/621874560.db2.gz CSYCVGTUJXIDJE-LSDHHAIUSA-N 0 3 275.396 2.759 20 30 CFEDHN N#CC1(C[C@H](O)CN2CC(Cc3cccs3)C2)CCC1 ZINC000905966078 621906935 /nfs/dbraw/zinc/90/69/35/621906935.db2.gz QUQFHUFESORYIX-AWEZNQCLSA-N 0 3 290.432 2.667 20 30 CFEDHN CC#Cc1cccc(-c2cnc([C@H]3CCCN3)nc2)c1 ZINC000906158415 621935840 /nfs/dbraw/zinc/93/58/40/621935840.db2.gz MOSKVFSQPNUTSL-MRXNPFEDSA-N 0 3 263.344 2.940 20 30 CFEDHN N#Cc1cc(F)ccc1-c1cnc([C@@H]2CCCN2)nc1 ZINC000906171217 621943521 /nfs/dbraw/zinc/94/35/21/621943521.db2.gz QNKUSKICDQXPIQ-AWEZNQCLSA-N 0 3 268.295 2.579 20 30 CFEDHN Cc1ccc(-c2cnc([C@@H]3CCCN3)nc2)c(C#N)c1 ZINC000906163776 621951193 /nfs/dbraw/zinc/95/11/93/621951193.db2.gz HCVHDZPBXTUHGF-HNNXBMFYSA-N 0 3 264.332 2.748 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C2CC2)nn1 ZINC000906313966 621972906 /nfs/dbraw/zinc/97/29/06/621972906.db2.gz OIXKFDPVMBONEL-DOMZBBRYSA-N 0 3 260.385 2.838 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(Cl)cn2CC)CC1 ZINC000906593215 622012377 /nfs/dbraw/zinc/01/23/77/622012377.db2.gz REHNEMSBSKCMDP-UHFFFAOYSA-N 0 3 295.814 2.542 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908571784 622247078 /nfs/dbraw/zinc/24/70/78/622247078.db2.gz LUONDQISESSYFP-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(C)(CC#N)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000909884278 622365259 /nfs/dbraw/zinc/36/52/59/622365259.db2.gz XUNQMZJWKOTVCT-UHFFFAOYSA-N 0 3 298.390 2.960 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910269095 622421873 /nfs/dbraw/zinc/42/18/73/622421873.db2.gz DWGRRCXMCQKWPB-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CC1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000911546868 622526601 /nfs/dbraw/zinc/52/66/01/622526601.db2.gz ICILUNQDDGNHCH-UHFFFAOYSA-N 0 3 295.386 2.776 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)NCc1ccccn1 ZINC000911646425 622533098 /nfs/dbraw/zinc/53/30/98/622533098.db2.gz PMLXNEHHRDYFNC-OAHLLOKOSA-N 0 3 277.412 2.776 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)Nc1nncs1 ZINC000911900086 622566439 /nfs/dbraw/zinc/56/64/39/622566439.db2.gz ORXPCAGUZXDLEO-JTQLQIEISA-N 0 3 270.402 2.555 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1nnc(CCCCC)s1 ZINC000911979720 622595066 /nfs/dbraw/zinc/59/50/66/622595066.db2.gz IUYZKPGGEUDSLQ-LLVKDONJSA-N 0 3 296.440 2.893 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2ccccc2n1CC ZINC000911983533 622603067 /nfs/dbraw/zinc/60/30/67/622603067.db2.gz PFVMLHDVWOYAOS-GFCCVEGCSA-N 0 3 286.379 2.678 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000912026913 622608096 /nfs/dbraw/zinc/60/80/96/622608096.db2.gz QUHXEEXGQPBHSV-AWEZNQCLSA-N 0 3 280.799 2.982 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000912077228 622625681 /nfs/dbraw/zinc/62/56/81/622625681.db2.gz GJMADFJJWDGBGP-CYBMUJFWSA-N 0 3 298.333 2.588 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000912114365 622630585 /nfs/dbraw/zinc/63/05/85/622630585.db2.gz IEZBAGVAGPJYQZ-DZGCQCFKSA-N 0 3 290.407 2.864 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000912171456 622655494 /nfs/dbraw/zinc/65/54/94/622655494.db2.gz XCIJSFYVEUFTRU-HOTGVXAUSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000912254066 622673369 /nfs/dbraw/zinc/67/33/69/622673369.db2.gz QFCKJNDMRWWYLX-SWLSCSKDSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)N(C)C ZINC000912279891 622673584 /nfs/dbraw/zinc/67/35/84/622673584.db2.gz CDEWSYCJVRNHDM-MELADBBJSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(OCC)c1 ZINC000912274649 622679111 /nfs/dbraw/zinc/67/91/11/622679111.db2.gz ZBBJKJYKOVTNEJ-AWEZNQCLSA-N 0 3 262.353 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000912358772 622693514 /nfs/dbraw/zinc/69/35/14/622693514.db2.gz HYPVBPPVMHDIFJ-ZDUSSCGKSA-N 0 3 280.318 2.538 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000912410618 622708884 /nfs/dbraw/zinc/70/88/84/622708884.db2.gz TYAYTRRDGRTGGY-WFASDCNBSA-N 0 3 278.371 2.557 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000912443322 622711154 /nfs/dbraw/zinc/71/11/54/622711154.db2.gz XQYGXCZAHKZYHV-CVEARBPZSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CCc1cc(C[N@H+](C)C[C@H]2CCOC2)c([O-])c(OC)c1 ZINC000164460279 622956627 /nfs/dbraw/zinc/95/66/27/622956627.db2.gz XDVQWNJACQAPEO-CQSZACIVSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(C[N@@H+](C)C[C@H]2CCOC2)c([O-])c(OC)c1 ZINC000164460279 622956630 /nfs/dbraw/zinc/95/66/30/622956630.db2.gz XDVQWNJACQAPEO-CQSZACIVSA-N 0 3 291.391 2.598 20 30 CFEDHN CN(C)Cc1cccc(C(=O)O[C@@H](C#N)C(C)(C)C)c1 ZINC000821627846 622957257 /nfs/dbraw/zinc/95/72/57/622957257.db2.gz QLGVWTVNGPVCPN-AWEZNQCLSA-N 0 3 274.364 2.843 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)CCC1(C)C ZINC000876994949 623007621 /nfs/dbraw/zinc/00/76/21/623007621.db2.gz PGOFDNACZYLYFT-NSHDSACASA-N 0 3 272.820 2.884 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000821953449 623011440 /nfs/dbraw/zinc/01/14/40/623011440.db2.gz QCXSTPNJDGKPCE-HNNXBMFYSA-N 0 3 271.364 2.564 20 30 CFEDHN C#C[C@@H](CC)NCc1cccc(Br)c1 ZINC000229517868 623209970 /nfs/dbraw/zinc/20/99/70/623209970.db2.gz KRSDVWWSWFSJOU-LBPRGKRZSA-N 0 3 252.155 2.951 20 30 CFEDHN C#C[C@H](CC)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000229885550 623229918 /nfs/dbraw/zinc/22/99/18/623229918.db2.gz OHSPMTKTFRDMOQ-LLVKDONJSA-N 0 3 265.740 2.613 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCCCC)CC1 ZINC000171695293 623237908 /nfs/dbraw/zinc/23/79/08/623237908.db2.gz MYMYQDYWHGWRJW-UHFFFAOYSA-N 0 3 267.417 2.516 20 30 CFEDHN C#CCN(CCCC(=O)OC)[C@H]1CCc2ccccc21 ZINC000172244393 623271672 /nfs/dbraw/zinc/27/16/72/623271672.db2.gz JNULLPRYSOHEDW-INIZCTEOSA-N 0 3 271.360 2.562 20 30 CFEDHN C#CCN1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000823248259 623275361 /nfs/dbraw/zinc/27/53/61/623275361.db2.gz NKWKKGQYUSAPGT-ZDUSSCGKSA-N 0 3 251.370 2.596 20 30 CFEDHN C#CCN1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000823248258 623275601 /nfs/dbraw/zinc/27/56/01/623275601.db2.gz NKWKKGQYUSAPGT-CYBMUJFWSA-N 0 3 251.370 2.596 20 30 CFEDHN COc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000087822307 623277801 /nfs/dbraw/zinc/27/78/01/623277801.db2.gz TXJKXYVFKPRJIA-UHFFFAOYSA-N 0 3 282.343 2.865 20 30 CFEDHN C#CCOc1ccccc1CNCCC(F)(F)F ZINC000063099242 623321849 /nfs/dbraw/zinc/32/18/49/623321849.db2.gz LPKVWLJHWKNEIM-UHFFFAOYSA-N 0 3 257.255 2.741 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000823617814 623363058 /nfs/dbraw/zinc/36/30/58/623363058.db2.gz NJYLNLKEJQWCMO-IUODEOHRSA-N 0 3 284.359 2.647 20 30 CFEDHN C[C@H]1C[C@H](CNCCC#N)CCN1C(=O)OC(C)(C)C ZINC000824302434 623487544 /nfs/dbraw/zinc/48/75/44/623487544.db2.gz VNGMHLFQKWCHFO-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000824368674 623497451 /nfs/dbraw/zinc/49/74/51/623497451.db2.gz TXQFNMWNMIWSPB-SJORKVTESA-N 0 3 297.402 2.613 20 30 CFEDHN C=CCCCCC[C@@H](C)NCc1nnc(CC)[nH]1 ZINC000824446188 623507463 /nfs/dbraw/zinc/50/74/63/623507463.db2.gz RMCHHOSFCZSDLL-GFCCVEGCSA-N 0 3 250.390 2.982 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001015154621 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C#C[C@@H](N[C@@H](C)c1cc2cnccc2o1)C1CCOCC1 ZINC000827554938 624030405 /nfs/dbraw/zinc/03/04/05/624030405.db2.gz LMNBVNKJFVETSD-SWLSCSKDSA-N 0 3 284.359 2.907 20 30 CFEDHN C#C[C@@H](NCc1scnc1C1CC1)C1CCOCC1 ZINC000827559752 624031572 /nfs/dbraw/zinc/03/15/72/624031572.db2.gz IXAGNBOIQJXJIA-CYBMUJFWSA-N 0 3 276.405 2.539 20 30 CFEDHN C#C[C@H](NCc1ccccc1OC(F)F)C1CCOCC1 ZINC000827570357 624036298 /nfs/dbraw/zinc/03/62/98/624036298.db2.gz NBKMOPFTAWTBOM-AWEZNQCLSA-N 0 3 295.329 2.806 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993239426 624056211 /nfs/dbraw/zinc/05/62/11/624056211.db2.gz VSWDRPDNMOYONG-HIFRSBDPSA-N 0 3 292.398 2.776 20 30 CFEDHN C[NH+](C)C1(C/N=C/c2cc(Cl)ccc2[O-])CCOCC1 ZINC000072613706 625695341 /nfs/dbraw/zinc/69/53/41/625695341.db2.gz ZHPKBJIUGPRWJX-LICLKQGHSA-N 0 3 296.798 2.575 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993321470 624094993 /nfs/dbraw/zinc/09/49/93/624094993.db2.gz CRHUIVMZEONDSW-SWLSCSKDSA-N 0 3 290.432 2.663 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OCC)c(OC)c1 ZINC000827817752 624100903 /nfs/dbraw/zinc/10/09/03/624100903.db2.gz JGXJHMLXWKMXFL-UHFFFAOYSA-N 0 3 291.391 2.566 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OCC)c(F)c1 ZINC000827826280 624103866 /nfs/dbraw/zinc/10/38/66/624103866.db2.gz BOGHGJMSBYBLIP-UHFFFAOYSA-N 0 3 279.355 2.696 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993505861 624148273 /nfs/dbraw/zinc/14/82/73/624148273.db2.gz NOMCYRHJDZDFTJ-VUGNNNGISA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993700295 624162151 /nfs/dbraw/zinc/16/21/51/624162151.db2.gz DRUQCQSQFHNFAH-HOCLYGCPSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994294003 624275066 /nfs/dbraw/zinc/27/50/66/624275066.db2.gz DNORAHXFBGJVHC-WMZOPIPTSA-N 0 3 298.430 2.909 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccco2)nc(C)n1 ZINC000916880050 624290307 /nfs/dbraw/zinc/29/03/07/624290307.db2.gz JCORSCJECLVHFA-SZZPACECSA-N 0 3 267.288 2.576 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC(C)C)c1 ZINC000916893720 624291280 /nfs/dbraw/zinc/29/12/80/624291280.db2.gz GTADXCJDNRBXCS-AWEZNQCLSA-N 0 3 288.347 2.779 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2C)[C@@H]1C ZINC000994399943 624292741 /nfs/dbraw/zinc/29/27/41/624292741.db2.gz LDBCIEBBWRMMMH-DOTOQJQBSA-N 0 3 286.419 2.693 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001015753456 624293862 /nfs/dbraw/zinc/29/38/62/624293862.db2.gz IBYRQDIAUHXEJH-NCOADZHNSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000829769134 624529282 /nfs/dbraw/zinc/52/92/82/624529282.db2.gz PGTXPHBZJNSPLB-AQFXKWCLSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000829785077 624536487 /nfs/dbraw/zinc/53/64/87/624536487.db2.gz QIQQQWHNOLTCEQ-LSDHHAIUSA-N 0 3 288.435 2.511 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(OC)cc(C)n2)C1 ZINC000829805401 624547097 /nfs/dbraw/zinc/54/70/97/624547097.db2.gz 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/nfs/dbraw/zinc/04/82/99/626048299.db2.gz RUNVPUQPJKKXBV-UHFFFAOYSA-N 0 3 292.810 2.940 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C3CC3)CC2)C1 ZINC000998952367 626064510 /nfs/dbraw/zinc/06/45/10/626064510.db2.gz DWPDQDHSANCCBT-UHFFFAOYSA-N 0 3 282.815 2.508 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016152436 626074987 /nfs/dbraw/zinc/07/49/87/626074987.db2.gz INRKRNYIESGBFF-MRXNPFEDSA-N 0 3 272.392 2.629 20 30 CFEDHN C#CCN1CCC(C2(NC(=O)C3CCCCC3)CC2)CC1 ZINC001000045741 626085288 /nfs/dbraw/zinc/08/52/88/626085288.db2.gz FTLKGSAWTKDUTQ-UHFFFAOYSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCCNCc1cccc(C)c1Br ZINC000921741436 626102994 /nfs/dbraw/zinc/10/29/94/626102994.db2.gz HJWQIJQJOXDJRO-UHFFFAOYSA-N 0 3 252.155 2.870 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016206340 626119017 /nfs/dbraw/zinc/11/90/17/626119017.db2.gz DTIYJXGTDJMWEK-CYBMUJFWSA-N 0 3 293.436 2.530 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cscc2C)CC1 ZINC001000558671 626124066 /nfs/dbraw/zinc/12/40/66/626124066.db2.gz INAQMEAVFXZXCE-UHFFFAOYSA-N 0 3 276.405 2.604 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001000920040 626135621 /nfs/dbraw/zinc/13/56/21/626135621.db2.gz FFKJTZXPWZHQHF-UHFFFAOYSA-N 0 3 288.366 2.682 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc(F)c2F)CC1 ZINC001001093154 626144624 /nfs/dbraw/zinc/14/46/24/626144624.db2.gz IDAUMSPZPDVRSR-UHFFFAOYSA-N 0 3 292.329 2.513 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001121252 626146211 /nfs/dbraw/zinc/14/62/11/626146211.db2.gz QPFGIPKLAGIOEA-HNNXBMFYSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001001333027 626155045 /nfs/dbraw/zinc/15/50/45/626155045.db2.gz TXKZIDSDXFOJKE-DOTOQJQBSA-N 0 3 276.424 2.603 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001333030 626155118 /nfs/dbraw/zinc/15/51/18/626155118.db2.gz TXKZIDSDXFOJKE-RDJZCZTQSA-N 0 3 276.424 2.603 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001001992979 626166287 /nfs/dbraw/zinc/16/62/87/626166287.db2.gz JXBCUUKXZLQVOP-AEFFLSMTSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001002153416 626167898 /nfs/dbraw/zinc/16/78/98/626167898.db2.gz NASALKHIWPSSOZ-HUUCEWRRSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001002161533 626167995 /nfs/dbraw/zinc/16/79/95/626167995.db2.gz CAYQLJGRXHAOIB-UHFFFAOYSA-N 0 3 290.451 2.520 20 30 CFEDHN N#Cc1cc(CNCCOCC2CCC2)cs1 ZINC000921998797 626193567 /nfs/dbraw/zinc/19/35/67/626193567.db2.gz FLJICACPPBYRCP-UHFFFAOYSA-N 0 3 250.367 2.526 20 30 CFEDHN Cc1ccccc1C[C@@H](CO)NCc1csc(C#N)c1 ZINC000922042798 626200305 /nfs/dbraw/zinc/20/03/05/626200305.db2.gz IBQNWFBBMJIVIF-HNNXBMFYSA-N 0 3 286.400 2.621 20 30 CFEDHN N#Cc1cc(CN[C@H]2COc3cc(F)ccc3C2)cs1 ZINC000922248099 626251171 /nfs/dbraw/zinc/25/11/71/626251171.db2.gz AJUXKFCOTRKUFX-CYBMUJFWSA-N 0 3 288.347 2.852 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC001003802062 626258122 /nfs/dbraw/zinc/25/81/22/626258122.db2.gz MOOUGDNJPYGEAD-ZDUSSCGKSA-N 0 3 290.407 2.767 20 30 CFEDHN CN1C(=O)c2ccccc2[C@@H]1CNCc1csc(C#N)c1 ZINC000922293183 626261312 /nfs/dbraw/zinc/26/13/12/626261312.db2.gz MHEVRDVKMMHTKW-HNNXBMFYSA-N 0 3 297.383 2.536 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2csc(C#N)c2)C1 ZINC000922317105 626269301 /nfs/dbraw/zinc/26/93/01/626269301.db2.gz VLYZJZSZAAPCGD-TXEJJXNPSA-N 0 3 292.404 2.830 20 30 CFEDHN CCn1ccnc1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000922600371 626320722 /nfs/dbraw/zinc/32/07/22/626320722.db2.gz PKXUXGVCGQZYLV-UHFFFAOYSA-N 0 3 282.391 2.886 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccoc2C)CC1 ZINC001005087663 626409686 /nfs/dbraw/zinc/40/96/86/626409686.db2.gz HHYRHCPWCIMKMY-UHFFFAOYSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)oc2C)CC1 ZINC001005104548 626411591 /nfs/dbraw/zinc/41/15/91/626411591.db2.gz XARGYSZOTASEDA-UHFFFAOYSA-N 0 3 276.380 2.619 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2occc2C)CC1 ZINC001005120261 626412146 /nfs/dbraw/zinc/41/21/46/626412146.db2.gz OEFAMYZJDHKRQN-UHFFFAOYSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C(C)C)on2)CC1 ZINC001005778334 626420962 /nfs/dbraw/zinc/42/09/62/626420962.db2.gz WKXZOEJFHDLFCB-UHFFFAOYSA-N 0 3 291.395 2.520 20 30 CFEDHN CC(C)(CCC#N)CNCc1nc2c(s1)COCC2 ZINC000922958226 626433311 /nfs/dbraw/zinc/43/33/11/626433311.db2.gz BAKPMAJNIZDRGC-UHFFFAOYSA-N 0 3 279.409 2.635 20 30 CFEDHN N#Cc1ccc(CN(C[C@H](O)c2ccccn2)C2CC2)cc1 ZINC000851738684 634502679 /nfs/dbraw/zinc/50/26/79/634502679.db2.gz OJRWPMWIGYISRP-SFHVURJKSA-N 0 3 293.370 2.651 20 30 CFEDHN COc1ccc(CNC2([C@@H]3CCCCO3)CC2)cc1C#N ZINC000923030356 626444074 /nfs/dbraw/zinc/44/40/74/626444074.db2.gz PFNRPMGQRJTGRN-INIZCTEOSA-N 0 3 286.375 2.758 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(F)c(C)c2)CC1 ZINC001005907817 626448253 /nfs/dbraw/zinc/44/82/53/626448253.db2.gz SCOOCEQCNKLRCD-UHFFFAOYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001005965086 626454541 /nfs/dbraw/zinc/45/45/41/626454541.db2.gz OIHJOPGXQYXJEY-YOEHRIQHSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cccc3cc[nH]c32)CC1 ZINC001006025186 626462730 /nfs/dbraw/zinc/46/27/30/626462730.db2.gz LALUIWSMEOFEPY-UHFFFAOYSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc3ccccn3c2)CC1 ZINC001006081061 626472962 /nfs/dbraw/zinc/47/29/62/626472962.db2.gz AZLBARSKSHQSML-UHFFFAOYSA-N 0 3 297.402 2.662 20 30 CFEDHN C=C(Cl)CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000824097842 626480435 /nfs/dbraw/zinc/48/04/35/626480435.db2.gz FFOWLVNIDZAMAD-SNVBAGLBSA-N 0 3 287.812 2.536 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001006217021 626480595 /nfs/dbraw/zinc/48/05/95/626480595.db2.gz BQSRALOCLAUGFG-WBVHZDCISA-N 0 3 278.440 2.777 20 30 CFEDHN C[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788479 626506785 /nfs/dbraw/zinc/50/67/85/626506785.db2.gz VEKLMDYRTOEGQL-GXSJLCMTSA-N 0 3 298.264 2.922 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCC1 ZINC000838866332 626511908 /nfs/dbraw/zinc/51/19/08/626511908.db2.gz OBIPQDUFAFKRDU-CJNGLKHVSA-N 0 3 298.386 2.790 20 30 CFEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCCC#N ZINC000839062834 626522572 /nfs/dbraw/zinc/52/25/72/626522572.db2.gz GPRYFBLPAGDKCD-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN CC[C@@H](C)NN=C(C)c1cccc(N2CCOCC2)c1 ZINC000790181052 626541351 /nfs/dbraw/zinc/54/13/51/626541351.db2.gz CFZLVPCTACELEH-CYBMUJFWSA-N 0 3 275.396 2.635 20 30 CFEDHN CC[C@H](C)NN=Cc1ccc(N(C)CCC#N)cc1 ZINC000790189533 626547063 /nfs/dbraw/zinc/54/70/63/626547063.db2.gz JSYVIFXIUWUUIA-ZDUSSCGKSA-N 0 3 258.369 2.758 20 30 CFEDHN CC(C)(NCCC1(C#N)CCCCC1)C(=O)N1CCCC1 ZINC000839590424 626547528 /nfs/dbraw/zinc/54/75/28/626547528.db2.gz VIQNHOJFYXQBEO-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN C#CCN[C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000839653680 626549585 /nfs/dbraw/zinc/54/95/85/626549585.db2.gz BXADPPNIRUQYTH-MRXNPFEDSA-N 0 3 257.377 2.893 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757694978 626558650 /nfs/dbraw/zinc/55/86/50/626558650.db2.gz AXUFONSCFSXMBL-HOSYDEDBSA-N 0 3 265.328 2.606 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000757833662 626564396 /nfs/dbraw/zinc/56/43/96/626564396.db2.gz DKGTWAMKCHNFGX-GOSISDBHSA-N 0 3 298.430 2.743 20 30 CFEDHN C=CCCCCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000805184533 626679215 /nfs/dbraw/zinc/67/92/15/626679215.db2.gz ORGITISZPFVJNJ-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN Cn1c(Cl)c(Cl)cc1C(=O)C(C#N)c1ccncn1 ZINC000760342978 626736814 /nfs/dbraw/zinc/73/68/14/626736814.db2.gz ARRMDYLMRCYIOA-SSDOTTSWSA-N 0 3 295.129 2.612 20 30 CFEDHN C#CCOc1ccc(CN[C@H](C)c2ccc[nH]2)cc1 ZINC000760444720 626746629 /nfs/dbraw/zinc/74/66/29/626746629.db2.gz FSWHJEMTURVJNO-CYBMUJFWSA-N 0 3 254.333 2.878 20 30 CFEDHN C#CCCN1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000760844641 626777174 /nfs/dbraw/zinc/77/71/74/626777174.db2.gz VLJOZPYWOBDRKN-MRXNPFEDSA-N 0 3 256.393 2.837 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000761077805 626797432 /nfs/dbraw/zinc/79/74/32/626797432.db2.gz NMBFYZJAUGWYEK-CYBMUJFWSA-N 0 3 296.336 2.693 20 30 CFEDHN CC(C)N(Cc1ccccn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763237699 626972291 /nfs/dbraw/zinc/97/22/91/626972291.db2.gz ZJGNZSZGPQKVJM-SFHVURJKSA-N 0 3 295.386 2.897 20 30 CFEDHN C#CCN(CCC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000763950031 627025033 /nfs/dbraw/zinc/02/50/33/627025033.db2.gz IDRPNMNBUFDSAT-UHFFFAOYSA-N 0 3 276.767 2.766 20 30 CFEDHN CC#CCCN1CCN(c2ccc(CC)cc2)CC1 ZINC000764959309 627109530 /nfs/dbraw/zinc/10/95/30/627109530.db2.gz COLXUSGEJZKBSN-UHFFFAOYSA-N 0 3 256.393 2.784 20 30 CFEDHN C#Cc1cccc(NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000765663703 627152813 /nfs/dbraw/zinc/15/28/13/627152813.db2.gz PWJMXSSNJWOJPY-QGZVFWFLSA-N 0 3 297.402 2.806 20 30 CFEDHN C#CCCCN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000766904138 627226057 /nfs/dbraw/zinc/22/60/57/627226057.db2.gz WVTNUUQACYWWTD-JKSUJKDBSA-N 0 3 277.408 2.844 20 30 CFEDHN C#CCCCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000766904135 627226087 /nfs/dbraw/zinc/22/60/87/627226087.db2.gz WVTNUUQACYWWTD-HOTGVXAUSA-N 0 3 277.408 2.844 20 30 CFEDHN C#CCOCCN(C)[C@H]1CCCc2nc(CC)sc21 ZINC000851855669 634559728 /nfs/dbraw/zinc/55/97/28/634559728.db2.gz SWRASBNJNGHDOL-ZDUSSCGKSA-N 0 3 278.421 2.665 20 30 CFEDHN Cc1cc(C[NH2+]Cc2ccccc2[O-])ccc1C#N ZINC000767693380 627276647 /nfs/dbraw/zinc/27/66/47/627276647.db2.gz MNCJYVSHNONIRI-UHFFFAOYSA-N 0 3 252.317 2.862 20 30 CFEDHN C#CCNC(=O)CN1CCC[C@@H]1CCC1CCCCC1 ZINC000767902056 627292970 /nfs/dbraw/zinc/29/29/70/627292970.db2.gz LCVAPDHSSCBIQB-MRXNPFEDSA-N 0 3 276.424 2.561 20 30 CFEDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000769553240 627455353 /nfs/dbraw/zinc/45/53/53/627455353.db2.gz GISBNGBJNYUXIF-VXGBXAGGSA-N 0 3 283.416 2.818 20 30 CFEDHN FC(F)(F)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000769810267 627477218 /nfs/dbraw/zinc/47/72/18/627477218.db2.gz KNJURCMAANAMIC-LBPRGKRZSA-N 0 3 277.334 2.923 20 30 CFEDHN Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@H](C#N)C3)C2=O)cc1 ZINC000769847063 627481012 /nfs/dbraw/zinc/48/10/12/627481012.db2.gz SOPPSTXTBRVLEL-UXLLHSPISA-N 0 3 297.402 2.772 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cccc(Br)c1 ZINC000769961058 627491456 /nfs/dbraw/zinc/49/14/56/627491456.db2.gz OCJSEKZCHWHJII-SNVBAGLBSA-N 0 3 252.155 2.903 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000769975714 627493765 /nfs/dbraw/zinc/49/37/65/627493765.db2.gz JMYANTQDTZDRHR-GDBMZVCRSA-N 0 3 289.419 2.677 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000769975716 627494214 /nfs/dbraw/zinc/49/42/14/627494214.db2.gz JMYANTQDTZDRHR-HOCLYGCPSA-N 0 3 289.419 2.677 20 30 CFEDHN C#CCOc1ccccc1CN(C)CC(C)(C)OC ZINC000770330374 627514152 /nfs/dbraw/zinc/51/41/52/627514152.db2.gz ITEXYUHAAWZTKR-UHFFFAOYSA-N 0 3 261.365 2.555 20 30 CFEDHN C#CCSCCN[C@H]1CCc2c1c(F)ccc2F ZINC000773010427 627768401 /nfs/dbraw/zinc/76/84/01/627768401.db2.gz KCBWNJWDEMDGMT-ZDUSSCGKSA-N 0 3 267.344 2.908 20 30 CFEDHN C#CCOCCNC(C)(C)c1cccc(Cl)c1F ZINC000851944290 634602940 /nfs/dbraw/zinc/60/29/40/634602940.db2.gz NGBPFHCFQCWFKT-UHFFFAOYSA-N 0 3 269.747 2.954 20 30 CFEDHN C#C[C@H](NCCc1nsc2ccccc12)[C@@H]1CCCO1 ZINC000851951271 634605603 /nfs/dbraw/zinc/60/56/03/634605603.db2.gz WSDZFLSDZPZSMQ-ZFWWWQNUSA-N 0 3 286.400 2.609 20 30 CFEDHN C#CCNC(=O)CN[C@H](c1ccccc1)C(CC)CC ZINC000775132352 627995321 /nfs/dbraw/zinc/99/53/21/627995321.db2.gz SHMKCBDSLSMIFD-KRWDZBQOSA-N 0 3 272.392 2.503 20 30 CFEDHN C#C[C@@H](NCc1ccnc2ccccc12)[C@@H]1CCCO1 ZINC000775347132 628013880 /nfs/dbraw/zinc/01/38/80/628013880.db2.gz XTTQKMRBQBJWDF-WBVHZDCISA-N 0 3 266.344 2.505 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000775354515 628014959 /nfs/dbraw/zinc/01/49/59/628014959.db2.gz ZJWFOROHEVXVJE-OLZOCXBDSA-N 0 3 270.376 2.658 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000775354517 628015090 /nfs/dbraw/zinc/01/50/90/628015090.db2.gz ZJWFOROHEVXVJE-STQMWFEESA-N 0 3 270.376 2.658 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000775354514 628015177 /nfs/dbraw/zinc/01/51/77/628015177.db2.gz ZJWFOROHEVXVJE-CHWSQXEVSA-N 0 3 270.376 2.658 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cccnc1Cl ZINC000775422301 628024641 /nfs/dbraw/zinc/02/46/41/628024641.db2.gz LUEJWIAIXIIDKC-QWRGUYRKSA-N 0 3 254.761 2.570 20 30 CFEDHN N#CCCNC(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000775550750 628036390 /nfs/dbraw/zinc/03/63/90/628036390.db2.gz MVENYACUQBWIQL-KRWDZBQOSA-N 0 3 299.418 2.927 20 30 CFEDHN C#CCNC(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000775550643 628036461 /nfs/dbraw/zinc/03/64/61/628036461.db2.gz JVBBXVWUQMWBAX-QGZVFWFLSA-N 0 3 284.403 2.647 20 30 CFEDHN C#C[C@H](N[C@@H](CC)c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000775572914 628040795 /nfs/dbraw/zinc/04/07/95/628040795.db2.gz DGFAONGCKTXOCI-XYJFISCASA-N 0 3 285.387 2.843 20 30 CFEDHN C#C[C@H](N[C@@H]1CCCc2ccccc21)[C@@H]1CCCO1 ZINC000775573573 628041414 /nfs/dbraw/zinc/04/14/14/628041414.db2.gz HUYSBPNGJDVDCD-BBWFWOEESA-N 0 3 255.361 2.834 20 30 CFEDHN C#C[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)[C@@H]1CCCO1 ZINC000775575844 628042527 /nfs/dbraw/zinc/04/25/27/628042527.db2.gz ZJJLWXDKPVNALV-JLSDUUJJSA-N 0 3 286.419 2.974 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000852098389 634651658 /nfs/dbraw/zinc/65/16/58/634651658.db2.gz LQDOPTUZOGVKRS-RHSMWYFYSA-N 0 3 276.424 2.773 20 30 CFEDHN C#CCCCCCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000779721366 628395580 /nfs/dbraw/zinc/39/55/80/628395580.db2.gz PYWQTGFWVHRBBK-QGZVFWFLSA-N 0 3 286.419 2.989 20 30 CFEDHN C[C@@H]1CN=C(NN=C(CC(C)(C)C)c2ccccc2)N1 ZINC000779793352 628406574 /nfs/dbraw/zinc/40/65/74/628406574.db2.gz SNCHELKSCSJMBU-GFCCVEGCSA-N 0 3 272.396 2.764 20 30 CFEDHN C[C@@H]1CN=C(NN=C(CC2CCC2)c2ccccc2)N1 ZINC000779793176 628406739 /nfs/dbraw/zinc/40/67/39/628406739.db2.gz XDSIUXFTXSHGED-GFCCVEGCSA-N 0 3 270.380 2.518 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000852099639 634654340 /nfs/dbraw/zinc/65/43/40/634654340.db2.gz OPBYPNJTRFNLND-MOPGFXCFSA-N 0 3 298.430 2.954 20 30 CFEDHN C(=NN[C@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000780261098 628447369 /nfs/dbraw/zinc/44/73/69/628447369.db2.gz KRRICDLKQPFOQB-INIZCTEOSA-N 0 3 287.407 2.779 20 30 CFEDHN Cc1cc(O)c(CNCc2ccc(C#N)cn2)cc1C ZINC000780555598 628475834 /nfs/dbraw/zinc/47/58/34/628475834.db2.gz PQGPDEQDXXDDFT-UHFFFAOYSA-N 0 3 267.332 2.566 20 30 CFEDHN N#CCC1CCN(Cc2cccc3nsnc32)CC1 ZINC000782087703 628603150 /nfs/dbraw/zinc/60/31/50/628603150.db2.gz GXKTUJHUVWVWLV-UHFFFAOYSA-N 0 3 272.377 2.817 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000785998266 628929645 /nfs/dbraw/zinc/92/96/45/628929645.db2.gz BDMFAKKPTCZKEE-HZPDHXFCSA-N 0 3 256.349 2.632 20 30 CFEDHN C=CCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000786102690 628936994 /nfs/dbraw/zinc/93/69/94/628936994.db2.gz RNZBKPJXWHLVCK-UHFFFAOYSA-N 0 3 274.324 2.718 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786314281 628947785 /nfs/dbraw/zinc/94/77/85/628947785.db2.gz STCKHHVSAVPTQC-AWEZNQCLSA-N 0 3 297.358 2.836 20 30 CFEDHN C=C(CC)COC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786877304 628982690 /nfs/dbraw/zinc/98/26/90/628982690.db2.gz CQNSFIJEWBOWOA-AWEZNQCLSA-N 0 3 251.370 2.903 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@@H]1CCOC1 ZINC000788446814 629068493 /nfs/dbraw/zinc/06/84/93/629068493.db2.gz LCQDCJCLSSXTFV-CTAHMLHZSA-N 0 3 285.391 2.662 20 30 CFEDHN CC(=NN[C@H](CO)c1ccccc1)c1ccc(N)cc1C ZINC000788460020 629070561 /nfs/dbraw/zinc/07/05/61/629070561.db2.gz IBUQVMCIFPTJGS-QGZVFWFLSA-N 0 3 283.375 2.624 20 30 CFEDHN C#CCSCCNCc1nc2ccc(OC)cc2s1 ZINC000788964971 629111949 /nfs/dbraw/zinc/11/19/49/629111949.db2.gz SEXCSVVOEZLQTP-UHFFFAOYSA-N 0 3 292.429 2.761 20 30 CFEDHN CC[C@H](C)NN=Cc1ccc(N(CC)CCO)cc1C ZINC000790184631 629216895 /nfs/dbraw/zinc/21/68/95/629216895.db2.gz YXVMMZGICXJPNB-AWEZNQCLSA-N 0 3 277.412 2.536 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000852319023 634719954 /nfs/dbraw/zinc/71/99/54/634719954.db2.gz FJFUHHAXJQICIP-DOMZBBRYSA-N 0 3 278.783 2.999 20 30 CFEDHN C#C[C@H](CCC)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000791031466 629283116 /nfs/dbraw/zinc/28/31/16/629283116.db2.gz LJWXDLIPBQVRAT-BRWVUGGUSA-N 0 3 299.418 2.533 20 30 CFEDHN C=CCN(Cc1ccc2c(c1)COC2)[C@@H](C)COC ZINC000852356367 634731381 /nfs/dbraw/zinc/73/13/81/634731381.db2.gz CKHFXJHZIUOBJE-ZDUSSCGKSA-N 0 3 261.365 2.740 20 30 CFEDHN C[C@@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1cccc(C#N)c1 ZINC000792276646 629416021 /nfs/dbraw/zinc/41/60/21/629416021.db2.gz NWSOEKUXXOKAIT-DOMZBBRYSA-N 0 3 284.359 2.695 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OCCCCC#N)c1 ZINC000835159029 629473899 /nfs/dbraw/zinc/47/38/99/629473899.db2.gz CBMPODZURJQANJ-UHFFFAOYSA-N 0 3 260.337 2.599 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OCC2(C#N)CCCC2)c1 ZINC000835283229 629595285 /nfs/dbraw/zinc/59/52/85/629595285.db2.gz UHBCMPWULRJGNC-UHFFFAOYSA-N 0 3 286.375 2.989 20 30 CFEDHN CCN(CC)C(=O)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795785414 629831955 /nfs/dbraw/zinc/83/19/55/629831955.db2.gz ZOGJVENIBLMJCV-QGZVFWFLSA-N 0 3 299.418 2.784 20 30 CFEDHN CC1(CN[C@H]2CCCCc3cc(C#N)ccc32)OCCO1 ZINC000795813751 629837002 /nfs/dbraw/zinc/83/70/02/629837002.db2.gz ZQRJEWDFUGVTPT-INIZCTEOSA-N 0 3 286.375 2.678 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCC(F)F)cc1 ZINC000796637993 629943872 /nfs/dbraw/zinc/94/38/72/629943872.db2.gz YGIIZTYOAVYPQK-GFCCVEGCSA-N 0 3 294.301 2.942 20 30 CFEDHN C=CCC[C@@H](NCC[S@](=O)CC)c1ccco1 ZINC000796762384 629961964 /nfs/dbraw/zinc/96/19/64/629961964.db2.gz UPKROMOZKGJLBI-SJKOYZFVSA-N 0 3 255.383 2.645 20 30 CFEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000796780498 629965283 /nfs/dbraw/zinc/96/52/83/629965283.db2.gz TVZACNHCUCJQON-ZFWWWQNUSA-N 0 3 286.375 2.838 20 30 CFEDHN C#CC[C@H](NC[C@@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799314608 630296591 /nfs/dbraw/zinc/29/65/91/630296591.db2.gz MGFMDAIPXVCGSP-DOTOQJQBSA-N 0 3 284.334 2.608 20 30 CFEDHN Cc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1C#N ZINC000799612733 630324018 /nfs/dbraw/zinc/32/40/18/630324018.db2.gz NHUWGBYJIOUGIP-UHFFFAOYSA-N 0 3 287.407 2.527 20 30 CFEDHN C#CCNC(=O)CN(C(C)C)[C@H](CC)c1ccccc1 ZINC000852693796 634809327 /nfs/dbraw/zinc/80/93/27/634809327.db2.gz LMDDKHUMVDFYEA-MRXNPFEDSA-N 0 3 272.392 2.598 20 30 CFEDHN C[C@@H](C#N)OCCN(Cc1ccc(F)cc1)C1CC1 ZINC000801910703 630484525 /nfs/dbraw/zinc/48/45/25/630484525.db2.gz VSLFACDJSORKFN-LBPRGKRZSA-N 0 3 262.328 2.719 20 30 CFEDHN C[C@@H](C#N)OCCN(C)Cc1ccccc1N1CCCC1 ZINC000801910261 630484986 /nfs/dbraw/zinc/48/49/86/630484986.db2.gz YPGCKKBPMMDXHX-HNNXBMFYSA-N 0 3 287.407 2.647 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(OC2CCCCC2)CC1 ZINC000801914790 630486941 /nfs/dbraw/zinc/48/69/41/630486941.db2.gz GNMZQJXBLDMGCU-AWEZNQCLSA-N 0 3 280.412 2.729 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(c2ccccc2F)CC1 ZINC000801921689 630487849 /nfs/dbraw/zinc/48/78/49/630487849.db2.gz JQZJKKXPMPRGFC-CYBMUJFWSA-N 0 3 276.355 2.934 20 30 CFEDHN Cc1cccnc1[C@@H](NCCO[C@H](C)C#N)C(C)C ZINC000801933236 630491107 /nfs/dbraw/zinc/49/11/07/630491107.db2.gz LQUWUPQUSKFVNN-KGLIPLIRSA-N 0 3 261.369 2.605 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(CCO[C@@H](C)C#N)[C@H]2C ZINC000801938787 630492076 /nfs/dbraw/zinc/49/20/76/630492076.db2.gz LSBURBGCUFZHFP-IHRRRGAJSA-N 0 3 288.391 2.931 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2ccccc2o1 ZINC000852752373 634825554 /nfs/dbraw/zinc/82/55/54/634825554.db2.gz VQLKXCLOXVKPCZ-UHFFFAOYSA-N 0 3 257.333 2.905 20 30 CFEDHN C#CCCN(CCOC)CCSc1ccccc1 ZINC000852751630 634825665 /nfs/dbraw/zinc/82/56/65/634825665.db2.gz JEASILMRKPFSHB-UHFFFAOYSA-N 0 3 263.406 2.750 20 30 CFEDHN CCN(C)c1ccc(C(C)=NN[C@@H]2CCSC2)cc1 ZINC000808004148 630939363 /nfs/dbraw/zinc/93/93/63/630939363.db2.gz HDHRERXBUAWYAG-CQSZACIVSA-N 0 3 277.437 2.962 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC000837361775 631013446 /nfs/dbraw/zinc/01/34/46/631013446.db2.gz ULBDLOOGWJXUPM-NVXWUHKLSA-N 0 3 298.430 2.988 20 30 CFEDHN O=C(C#CC1CC1)N(CCN1CCCC1)c1ccccc1 ZINC000837432884 631028492 /nfs/dbraw/zinc/02/84/92/631028492.db2.gz YKQOGEPKXZGSEV-UHFFFAOYSA-N 0 3 282.387 2.529 20 30 CFEDHN CN(C(=O)C#CC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000837472257 631040967 /nfs/dbraw/zinc/04/09/67/631040967.db2.gz KJVHXJWKRDURQA-KRWDZBQOSA-N 0 3 298.430 2.769 20 30 CFEDHN C#Cc1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC000809621603 631248706 /nfs/dbraw/zinc/24/87/06/631248706.db2.gz LCWLSWISILZXSI-OAHLLOKOSA-N 0 3 271.385 2.943 20 30 CFEDHN C#Cc1ccc(CN[C@H](CO)c2ccccc2C)cc1 ZINC000809626216 631249537 /nfs/dbraw/zinc/24/95/37/631249537.db2.gz XQSSETFCOALNGY-GOSISDBHSA-N 0 3 265.356 2.800 20 30 CFEDHN C#Cc1ccc(CNCc2ccccc2NC(C)=O)cc1 ZINC000809624423 631249980 /nfs/dbraw/zinc/24/99/80/631249980.db2.gz JLNYWLQLBRPVCC-UHFFFAOYSA-N 0 3 278.355 2.916 20 30 CFEDHN C#C[C@H](NC1CC(c2cc(F)cc(F)c2)C1)[C@H]1CCCO1 ZINC000809642350 631254363 /nfs/dbraw/zinc/25/43/63/631254363.db2.gz HCUOXAKPWWCIRJ-XEXHBRLRSA-N 0 3 291.341 2.981 20 30 CFEDHN CC#CCCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033896 631317628 /nfs/dbraw/zinc/31/76/28/631317628.db2.gz KFXAWARMZGRCOY-INIZCTEOSA-N 0 3 292.423 2.923 20 30 CFEDHN C=C(C)CCN(C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074333 631322726 /nfs/dbraw/zinc/32/27/26/631322726.db2.gz RXHYIDITPCETMP-UHFFFAOYSA-N 0 3 254.374 2.504 20 30 CFEDHN c1ccc([C@H]2CC(=NN[C@@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841635889 631439317 /nfs/dbraw/zinc/43/93/17/631439317.db2.gz QHKBRXYEQHQKKN-SJLPKXTDSA-N 0 3 299.418 2.720 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN(C)C[C@@H](C)O)cc1 ZINC000841655893 631445632 /nfs/dbraw/zinc/44/56/32/631445632.db2.gz ZNSXTIHOIBVNLE-OAHLLOKOSA-N 0 3 291.439 2.960 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccnc(Cl)c1Cl ZINC000811487613 631569529 /nfs/dbraw/zinc/56/95/29/631569529.db2.gz YKWYLVBUDVJRCC-SECBINFHSA-N 0 3 275.179 2.663 20 30 CFEDHN C=C(C)CNN=Cc1ccc(N(C)CCC#N)cc1 ZINC000811650884 631593176 /nfs/dbraw/zinc/59/31/76/631593176.db2.gz VKFWDPOJCRYVGT-UHFFFAOYSA-N 0 3 256.353 2.536 20 30 CFEDHN CN1CCN(c2ccc(C=NOC/C=C\Cl)cc2)CC1 ZINC000811669848 631603955 /nfs/dbraw/zinc/60/39/55/631603955.db2.gz KFFFSVNYLJGMRM-FQDKZAGOSA-N 0 3 293.798 2.541 20 30 CFEDHN Nc1ccc2c(c1)C(=NNC13CC(C1)C3)CCCC2 ZINC000842544492 631660269 /nfs/dbraw/zinc/66/02/69/631660269.db2.gz IQTGMMDRQJHVPI-UHFFFAOYSA-N 0 3 255.365 2.841 20 30 CFEDHN CC(=NOCCOC(C)C)c1ccc(N)cc1C ZINC000812237560 631675681 /nfs/dbraw/zinc/67/56/81/631675681.db2.gz GKGMQVBAACFNEV-UHFFFAOYSA-N 0 3 250.342 2.743 20 30 CFEDHN C#CC[C@H]1CCCN(Cn2nccc2-c2ccncc2)C1 ZINC000842628628 631685036 /nfs/dbraw/zinc/68/50/36/631685036.db2.gz CVRKLQJMMVJQRN-HNNXBMFYSA-N 0 3 280.375 2.638 20 30 CFEDHN C=CCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215752 631882554 /nfs/dbraw/zinc/88/25/54/631882554.db2.gz KGXDBRIMHDENKE-LLVKDONJSA-N 0 3 298.264 2.869 20 30 CFEDHN c1cc2c(s1)CCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000814886210 632149378 /nfs/dbraw/zinc/14/93/78/632149378.db2.gz VDLXJLXCAXSHGL-CHWSQXEVSA-N 0 3 288.420 2.649 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@H]1CCCCN1CCCC ZINC000815170874 632222637 /nfs/dbraw/zinc/22/26/37/632222637.db2.gz DTXITMWIMCGTIO-CYBMUJFWSA-N 0 3 288.382 2.969 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000815209388 632229606 /nfs/dbraw/zinc/22/96/06/632229606.db2.gz VFCPIYBIYBJMSF-WFASDCNBSA-N 0 3 294.782 2.722 20 30 CFEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1ccnc1 ZINC000845445054 632435724 /nfs/dbraw/zinc/43/57/24/632435724.db2.gz FUYWSPRKTANECS-VXGBXAGGSA-N 0 3 294.314 2.852 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1ccnc1 ZINC000845445052 632436279 /nfs/dbraw/zinc/43/62/79/632436279.db2.gz FUYWSPRKTANECS-RYUDHWBXSA-N 0 3 294.314 2.852 20 30 CFEDHN CC(C)(C)OC(=O)NCCC1CC(NCC2(C#N)CC2)C1 ZINC000845968890 632605768 /nfs/dbraw/zinc/60/57/68/632605768.db2.gz XORKHCNWWBKDDR-UHFFFAOYSA-N 0 3 293.411 2.573 20 30 CFEDHN CC(C)(C)OC(=O)NCCCNCC1(C#N)CCCC1 ZINC000846009659 632613635 /nfs/dbraw/zinc/61/36/35/632613635.db2.gz ACHVESLWZAWYQS-UHFFFAOYSA-N 0 3 281.400 2.575 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccncc1Cl ZINC000817580297 632669467 /nfs/dbraw/zinc/66/94/67/632669467.db2.gz HUXUTNOGCFQMJP-SNVBAGLBSA-N 0 3 254.786 2.752 20 30 CFEDHN C=C[C@@H](C)ONC(=O)c1cccc(CN2CCCC2)c1 ZINC000846549349 632737517 /nfs/dbraw/zinc/73/75/17/632737517.db2.gz JQDKHXVUQMCWOA-CYBMUJFWSA-N 0 3 274.364 2.518 20 30 CFEDHN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000846550749 632738133 /nfs/dbraw/zinc/73/81/33/632738133.db2.gz OZLBMFVIGNZKDC-GOEBONIOSA-N 0 3 288.391 2.521 20 30 CFEDHN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000846550749 632738141 /nfs/dbraw/zinc/73/81/41/632738141.db2.gz OZLBMFVIGNZKDC-GOEBONIOSA-N 0 3 288.391 2.521 20 30 CFEDHN CC(=O)C1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000846950931 632857039 /nfs/dbraw/zinc/85/70/39/632857039.db2.gz OIECCKSCGIPCIR-UHFFFAOYSA-N 0 3 286.375 2.628 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1coc2cc(C)c(C)cc21 ZINC000818596024 632875758 /nfs/dbraw/zinc/87/57/58/632875758.db2.gz ZGTAWMDFNRGYIA-UHFFFAOYSA-N 0 3 298.386 2.735 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC000818609453 632878318 /nfs/dbraw/zinc/87/83/18/632878318.db2.gz XUDKCBGXTXSMBA-OAHLLOKOSA-N 0 3 286.419 2.885 20 30 CFEDHN C#C[C@H]1CCCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000847020584 632885395 /nfs/dbraw/zinc/88/53/95/632885395.db2.gz BVKLFAHNXXRLKS-HNNXBMFYSA-N 0 3 255.361 2.913 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000847022142 632886886 /nfs/dbraw/zinc/88/68/86/632886886.db2.gz FSFHOPVOENAJLG-AWEZNQCLSA-N 0 3 282.391 2.857 20 30 CFEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000847028594 632892849 /nfs/dbraw/zinc/89/28/49/632892849.db2.gz JHHFQMAVPZKMNA-KLHDSHLOSA-N 0 3 276.424 2.510 20 30 CFEDHN C#Cc1ccccc1CC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000848300414 633236400 /nfs/dbraw/zinc/23/64/00/633236400.db2.gz JOCPEOGIPIQBIH-UHFFFAOYSA-N 0 3 298.430 2.543 20 30 CFEDHN FC(F)(F)CON=C1CCCN2CCCC[C@@H]12 ZINC000848407136 633250371 /nfs/dbraw/zinc/25/03/71/633250371.db2.gz MDCQSIHHCJVPJQ-JTQLQIEISA-N 0 3 250.264 2.570 20 30 CFEDHN C1CC[C@@H](ON=C2CCCN3CCCC[C@@H]23)OC1 ZINC000848407706 633250890 /nfs/dbraw/zinc/25/08/90/633250890.db2.gz SBDUQFFVZIOKGJ-UONOGXRCSA-N 0 3 252.358 2.534 20 30 CFEDHN C1CC[C@@H](ON=C2CCCN3CCCC[C@H]23)OC1 ZINC000848407707 633251269 /nfs/dbraw/zinc/25/12/69/633251269.db2.gz SBDUQFFVZIOKGJ-ZIAGYGMSSA-N 0 3 252.358 2.534 20 30 CFEDHN CCC(=NNCCCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000848418976 633255903 /nfs/dbraw/zinc/25/59/03/633255903.db2.gz TWXKJGCVISLTLC-UHFFFAOYSA-N 0 3 299.422 2.743 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000848924777 633407511 /nfs/dbraw/zinc/40/75/11/633407511.db2.gz ZZJUXBIUFLMZRY-AWEZNQCLSA-N 0 3 283.375 2.834 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](C)C(C)(C)C)nn1 ZINC000850138027 633853881 /nfs/dbraw/zinc/85/38/81/633853881.db2.gz XPOQWQUOIDISDA-GFCCVEGCSA-N 0 3 250.390 2.626 20 30 CFEDHN C#CCSCCNCc1cccc(F)c1OC(F)F ZINC000850153274 633857989 /nfs/dbraw/zinc/85/79/89/633857989.db2.gz DABRQNUGSIVHIJ-UHFFFAOYSA-N 0 3 289.322 2.883 20 30 CFEDHN C=CCOCCCNCc1c(Cl)nc2ccccn21 ZINC000850377736 633965576 /nfs/dbraw/zinc/96/55/76/633965576.db2.gz KPQSJBNITORXLA-UHFFFAOYSA-N 0 3 279.771 2.670 20 30 CFEDHN N#Cc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1F ZINC000850379944 633967741 /nfs/dbraw/zinc/96/77/41/633967741.db2.gz JVMMXPPXEHSTNR-KGLIPLIRSA-N 0 3 296.292 2.601 20 30 CFEDHN C[C@@H](CSCCF)NCc1cc(C#N)ccc1F ZINC000850445299 633996187 /nfs/dbraw/zinc/99/61/87/633996187.db2.gz RCMLPIPSMGSLLK-JTQLQIEISA-N 0 3 270.348 2.878 20 30 CFEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000850760739 634081842 /nfs/dbraw/zinc/08/18/42/634081842.db2.gz WLZFDWPTNAJUTL-ZJUUUORDSA-N 0 3 289.722 2.537 20 30 CFEDHN C[C@@H](CC#N)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000850938174 634145793 /nfs/dbraw/zinc/14/57/93/634145793.db2.gz RKMLTXFNSURIQH-HOCLYGCPSA-N 0 3 286.375 2.744 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCC1(C)C ZINC000850977646 634162911 /nfs/dbraw/zinc/16/29/11/634162911.db2.gz AWLAETGKLFEPCO-LSDHHAIUSA-N 0 3 298.386 2.790 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000850978574 634163383 /nfs/dbraw/zinc/16/33/83/634163383.db2.gz VYNFTBUOIXMWLZ-CFVMTHIKSA-N 0 3 297.358 2.513 20 30 CFEDHN C=CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853537429 635031972 /nfs/dbraw/zinc/03/19/72/635031972.db2.gz XUCPHLSREIKSFA-BLLLJJGKSA-N 0 3 289.375 2.606 20 30 CFEDHN C=CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000853537429 635031979 /nfs/dbraw/zinc/03/19/79/635031979.db2.gz XUCPHLSREIKSFA-BLLLJJGKSA-N 0 3 289.375 2.606 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C(=O)CCC2(C)C)C1 ZINC000853537069 635032177 /nfs/dbraw/zinc/03/21/77/635032177.db2.gz NWXQMTLSXHHPJN-CYBMUJFWSA-N 0 3 250.386 2.633 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@](C)(CC)CC1=O ZINC000853598066 635045778 /nfs/dbraw/zinc/04/57/78/635045778.db2.gz JHEQGMILSYFWLD-IJEWVQPXSA-N 0 3 262.397 2.776 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H](C)C2CCCCC2)CC1 ZINC000856224918 635759966 /nfs/dbraw/zinc/75/99/66/635759966.db2.gz NNBQQUQSDQLPNZ-HNNXBMFYSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857915075 636065871 /nfs/dbraw/zinc/06/58/71/636065871.db2.gz ZRYJJNZARSRMGY-UTUOFQBUSA-N 0 3 264.756 2.655 20 30 CFEDHN Cc1ccc(O[C@H]2CCN(Cc3ccc(C#N)cc3)C2)nc1 ZINC000858011071 636113736 /nfs/dbraw/zinc/11/37/36/636113736.db2.gz JSAIKBXQGBNYDQ-KRWDZBQOSA-N 0 3 293.370 2.915 20 30 CFEDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000858258051 636168163 /nfs/dbraw/zinc/16/81/63/636168163.db2.gz ZKMRMVSFAPGXHX-WQVCFCJDSA-N 0 3 274.364 2.635 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1ccc(F)c(F)c1F ZINC000858334263 636194629 /nfs/dbraw/zinc/19/46/29/636194629.db2.gz KQEVFMPBPKTJQD-NSHDSACASA-N 0 3 271.282 2.622 20 30 CFEDHN C#CC[C@H](COC)NCc1cc2cc(Cl)cnc2o1 ZINC000858335141 636195761 /nfs/dbraw/zinc/19/57/61/636195761.db2.gz WECLSFGAKYHEMB-GFCCVEGCSA-N 0 3 278.739 2.609 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(OCC)c(OCC)c1 ZINC000858335963 636197083 /nfs/dbraw/zinc/19/70/83/636197083.db2.gz PJYYEPDLEJANQY-HNNXBMFYSA-N 0 3 291.391 2.612 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccnc(CO)c1 ZINC000858573025 636297327 /nfs/dbraw/zinc/29/73/27/636297327.db2.gz WKQJZQZREAWOOL-QGZVFWFLSA-N 0 3 279.343 2.935 20 30 CFEDHN C#CCCOC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000858880781 636368360 /nfs/dbraw/zinc/36/83/60/636368360.db2.gz ZQMZZQSSZRLTKS-INIZCTEOSA-N 0 3 288.391 2.601 20 30 CFEDHN C#CCCOC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000858900318 636376436 /nfs/dbraw/zinc/37/64/36/636376436.db2.gz PNRIREPXEGIOBP-CQSZACIVSA-N 0 3 294.420 2.881 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000081557147 636792823 /nfs/dbraw/zinc/79/28/23/636792823.db2.gz DNAAIZOIVAKVAQ-HNNXBMFYSA-N 0 3 264.800 2.993 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860469876 636892279 /nfs/dbraw/zinc/89/22/79/636892279.db2.gz LRXSJIIWCIIOSF-KDJCLPLCSA-N 0 3 282.343 2.696 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000862402164 637360230 /nfs/dbraw/zinc/36/02/30/637360230.db2.gz IOBIXWPZZXBDDK-AWEZNQCLSA-N 0 3 288.391 2.653 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862546070 637418176 /nfs/dbraw/zinc/41/81/76/637418176.db2.gz GUANHXSJRDSYOA-BBRMVZONSA-N 0 3 282.403 2.624 20 30 CFEDHN C#CC[C@@H](COC)NCc1cc(Cl)c(O)c(OCC)c1 ZINC000862551064 637423171 /nfs/dbraw/zinc/42/31/71/637423171.db2.gz QOCWJBWROSEKDL-LBPRGKRZSA-N 0 3 297.782 2.572 20 30 CFEDHN C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000862551064 637423172 /nfs/dbraw/zinc/42/31/72/637423172.db2.gz QOCWJBWROSEKDL-LBPRGKRZSA-N 0 3 297.782 2.572 20 30 CFEDHN CCOc1cc(C=NNc2ccnc(C)c2)ccc1OC ZINC000863158516 637572625 /nfs/dbraw/zinc/57/26/25/637572625.db2.gz DWCBHLKSVINXIV-UHFFFAOYSA-N 0 3 285.347 2.665 20 30 CFEDHN CCN(CC)c1ncc(C=[NH+][N-]c2ccnc(C)c2)s1 ZINC000863158708 637572995 /nfs/dbraw/zinc/57/29/95/637572995.db2.gz MVMFXKQEBWKJPN-UHFFFAOYSA-N 0 3 289.408 2.561 20 30 CFEDHN Cc1cccc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000863160443 637575142 /nfs/dbraw/zinc/57/51/42/637575142.db2.gz FEPTXHDPRYPZHX-CQSZACIVSA-N 0 3 258.369 2.806 20 30 CFEDHN C=CCC[C@H](CCC)N[C@H](C)c1nnnn1C1CC1 ZINC000189114954 650361833 /nfs/dbraw/zinc/36/18/33/650361833.db2.gz ZIIGKGQNNMSADG-NEPJUHHUSA-N 0 3 263.389 2.794 20 30 CFEDHN C=CCCc1ccc(-c2cnn3c2CNCC3)cc1 ZINC000863720985 637759039 /nfs/dbraw/zinc/75/90/39/637759039.db2.gz AMFIGGGPWJGQOM-UHFFFAOYSA-N 0 3 253.349 2.772 20 30 CFEDHN CCN(CC)c1ccc(C=[NH+]Cc2ccc[nH]c2=O)c([O-])c1 ZINC000864345820 637947117 /nfs/dbraw/zinc/94/71/17/637947117.db2.gz GYPDYAZCDOXHDM-WQRHYEAKSA-N 0 3 299.374 2.958 20 30 CFEDHN C=C(C)COCCNCc1cnc(Cl)c(F)c1 ZINC000865493909 638378348 /nfs/dbraw/zinc/37/83/48/638378348.db2.gz RPQBXMQVUVWIFG-UHFFFAOYSA-N 0 3 258.724 2.556 20 30 CFEDHN C=C(C)CCNCc1cccnc1Br ZINC000865588034 638443454 /nfs/dbraw/zinc/44/34/54/638443454.db2.gz XDBDRFAARHGOIC-UHFFFAOYSA-N 0 3 255.159 2.900 20 30 CFEDHN Cc1cc(CNC2CCN(c3ccccc3C#N)CC2)on1 ZINC000865694149 638518051 /nfs/dbraw/zinc/51/80/51/638518051.db2.gz AYKYGNLGNQAOGG-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN Cc1cnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865848549 638611560 /nfs/dbraw/zinc/61/15/60/638611560.db2.gz UJPJECATHRXRGT-CQSZACIVSA-N 0 3 269.373 2.580 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1cccnc1Cl)C2 ZINC000865849275 638612192 /nfs/dbraw/zinc/61/21/92/638612192.db2.gz SLDQCWKQWMPFFY-HNNXBMFYSA-N 0 3 283.762 2.864 20 30 CFEDHN C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])CN1CCCC1 ZINC000866239189 638777440 /nfs/dbraw/zinc/77/74/40/638777440.db2.gz ROAHODXIMHBXFE-KBPBESRZSA-N 0 3 287.407 2.646 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCc2cccc3cccc1c32 ZINC000866326019 638797272 /nfs/dbraw/zinc/79/72/72/638797272.db2.gz HQDZOTXOQSALKC-MRXNPFEDSA-N 0 3 280.371 2.719 20 30 CFEDHN C=CCC[C@@H](CC)NCc1cc(C(=O)OCC)no1 ZINC000866514811 638834027 /nfs/dbraw/zinc/83/40/27/638834027.db2.gz SHMHILJJEANZFJ-LLVKDONJSA-N 0 3 266.341 2.686 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1cc(C(=O)OCC)no1 ZINC000866514825 638834151 /nfs/dbraw/zinc/83/41/51/638834151.db2.gz SXHCFCVBODOJAR-GHMZBOCLSA-N 0 3 266.341 2.542 20 30 CFEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nccs1 ZINC000866618203 638855978 /nfs/dbraw/zinc/85/59/78/638855978.db2.gz WWUCHTKKYCMGQU-HZMBPMFUSA-N 0 3 269.373 2.833 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1cccs1 ZINC000121611540 638878220 /nfs/dbraw/zinc/87/82/20/638878220.db2.gz IUIPBGHDOVRCNM-NEPJUHHUSA-N 0 3 292.404 2.867 20 30 CFEDHN CCN1CCCC[C@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000122666153 639305995 /nfs/dbraw/zinc/30/59/95/639305995.db2.gz QGHRWGJJYUKIMS-NEPJUHHUSA-N 0 3 277.393 2.502 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085855287 782188650 /nfs/dbraw/zinc/18/86/50/782188650.db2.gz USBPXLYBGPAFTQ-QGZVFWFLSA-N 0 3 297.402 2.662 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccccc1F ZINC000079925079 650629094 /nfs/dbraw/zinc/62/90/94/650629094.db2.gz LKQXUPHYDSWYCN-KRWDZBQOSA-N 0 3 299.345 2.661 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000123746992 641407427 /nfs/dbraw/zinc/40/74/27/641407427.db2.gz ZOWFZOHPCKHMST-IUODEOHRSA-N 0 3 284.359 2.558 20 30 CFEDHN Cc1ncc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000872220822 641707829 /nfs/dbraw/zinc/70/78/29/641707829.db2.gz NCVQWADKRKVKFH-QMTHXVAHSA-N 0 3 287.388 2.707 20 30 CFEDHN CCNc1ccccc1C=NN[C@H]1CCOC(C)(C)C1 ZINC000872365667 641772168 /nfs/dbraw/zinc/77/21/68/641772168.db2.gz BBKCNEYBYSNOEP-AWEZNQCLSA-N 0 3 275.396 3.000 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000872927119 641965307 /nfs/dbraw/zinc/96/53/07/641965307.db2.gz RUOQODGKIFSCGS-ZDUSSCGKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CNCCCC(C)(C)C=C)nn1 ZINC000873151934 642033088 /nfs/dbraw/zinc/03/30/88/642033088.db2.gz SURAYDOTAGNOFW-UHFFFAOYSA-N 0 3 262.401 2.936 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2nccn2CC(F)(F)F)CC1 ZINC000873198462 642062553 /nfs/dbraw/zinc/06/25/53/642062553.db2.gz LFUZIXGYQQCISZ-HAQNSBGRSA-N 0 3 285.313 2.727 20 30 CFEDHN C=C(Br)CNC1CCN(c2ccccn2)CC1 ZINC000125097420 642435537 /nfs/dbraw/zinc/43/55/37/642435537.db2.gz OANUENABOKMPEP-UHFFFAOYSA-N 0 3 296.212 2.549 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000874863110 642534805 /nfs/dbraw/zinc/53/48/05/642534805.db2.gz HOXZVTXIYUDWSX-JYJNAYRXSA-N 0 3 276.424 2.559 20 30 CFEDHN CCO[C@H]1CCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876512178 642900222 /nfs/dbraw/zinc/90/02/22/642900222.db2.gz HYJAXZMTDZYAEJ-INIZCTEOSA-N 0 3 287.407 2.625 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000876559607 642922380 /nfs/dbraw/zinc/92/23/80/642922380.db2.gz BLOMPBSTWJSREH-HUUCEWRRSA-N 0 3 292.810 2.992 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000876564782 642924748 /nfs/dbraw/zinc/92/47/48/642924748.db2.gz CZUOYZDVVKHLSM-UONOGXRCSA-N 0 3 280.799 2.970 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000876570187 642927247 /nfs/dbraw/zinc/92/72/47/642927247.db2.gz VRQCZWOLKYLAHY-GXFFZTMASA-N 0 3 284.762 2.815 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000876570188 642927758 /nfs/dbraw/zinc/92/77/58/642927758.db2.gz VRQCZWOLKYLAHY-MFKMUULPSA-N 0 3 284.762 2.815 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000876574771 642930466 /nfs/dbraw/zinc/93/04/66/642930466.db2.gz ZOOXLEGCKRXXCB-KBPBESRZSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(Cl)c1OC ZINC000876578562 642931842 /nfs/dbraw/zinc/93/18/42/642931842.db2.gz RWDXERFENFHSAP-SECBINFHSA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1C ZINC000876588236 642935033 /nfs/dbraw/zinc/93/50/33/642935033.db2.gz CUHYJORRRAUGFT-GXTWGEPZSA-N 0 3 280.799 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1cccs1 ZINC000876595542 642939169 /nfs/dbraw/zinc/93/91/69/642939169.db2.gz HNLDCSWPERBACD-ZJUUUORDSA-N 0 3 272.801 2.737 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(OC)c1C ZINC000876597169 642939922 /nfs/dbraw/zinc/93/99/22/642939922.db2.gz MAIXEBSGCHQPMI-LLVKDONJSA-N 0 3 282.771 2.720 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC)c(F)c1 ZINC000876609723 642943451 /nfs/dbraw/zinc/94/34/51/642943451.db2.gz WIDCGXBMYDVOFI-NSHDSACASA-N 0 3 286.734 2.633 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN(C)Cc1ccccc1O ZINC000876615325 642946084 /nfs/dbraw/zinc/94/60/84/642946084.db2.gz BFBFQNGNBZTBTM-UHFFFAOYSA-N 0 3 295.386 2.962 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000876617079 642946885 /nfs/dbraw/zinc/94/68/85/642946885.db2.gz ZFUOBZGPGWROFC-ZIAGYGMSSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000876617083 642947056 /nfs/dbraw/zinc/94/70/56/642947056.db2.gz ZJHJLVWZPPQLCN-UWVGGRQHSA-N 0 3 272.801 2.704 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000876617590 642947199 /nfs/dbraw/zinc/94/71/99/642947199.db2.gz DDJNAACMFAMMQH-KBPBESRZSA-N 0 3 294.782 2.526 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)C1CCCCC1 ZINC000876636690 642952119 /nfs/dbraw/zinc/95/21/19/642952119.db2.gz CSJGIEAVLZFXQC-CHWSQXEVSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H](C)c1ccccc1 ZINC000876643060 642955510 /nfs/dbraw/zinc/95/55/10/642955510.db2.gz SFBHXJVVWSYUBG-SMDDNHRTSA-N 0 3 280.799 2.718 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000876647181 642957362 /nfs/dbraw/zinc/95/73/62/642957362.db2.gz IIWZNIWXGKSNNA-RWMBFGLXSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000876648636 642958133 /nfs/dbraw/zinc/95/81/33/642958133.db2.gz VEHAYYGIKBUENL-GWCFXTLKSA-N 0 3 278.783 2.682 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000876649781 642958333 /nfs/dbraw/zinc/95/83/33/642958333.db2.gz FNLAHPFQAVLCSB-ZIAGYGMSSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000876661589 642962738 /nfs/dbraw/zinc/96/27/38/642962738.db2.gz GFYPDLXFOLBOIH-MFKMUULPSA-N 0 3 296.773 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2c(C)cccc21 ZINC000876664089 642963607 /nfs/dbraw/zinc/96/36/07/642963607.db2.gz MSBLTUDSZIUHDH-ZDUSSCGKSA-N 0 3 278.783 2.744 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCCC1(C)C ZINC000876668081 642964397 /nfs/dbraw/zinc/96/43/97/642964397.db2.gz GJVCDWNDCVQIEZ-WDEREUQCSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000876674434 642968562 /nfs/dbraw/zinc/96/85/62/642968562.db2.gz KEHHWDXJPRTJAE-CABCVRRESA-N 0 3 292.810 2.594 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000876676716 642969201 /nfs/dbraw/zinc/96/92/01/642969201.db2.gz VILVIJRWESUJPG-LBPRGKRZSA-N 0 3 299.201 2.915 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000876686399 642972636 /nfs/dbraw/zinc/97/26/36/642972636.db2.gz WWTFAHCALYIKFZ-ZFWWWQNUSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000876685715 642972852 /nfs/dbraw/zinc/97/28/52/642972852.db2.gz UPALBYSPHWFRAD-XQHKEYJVSA-N 0 3 270.804 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC1CC1)c1ccccc1 ZINC000876690962 642975474 /nfs/dbraw/zinc/97/54/74/642975474.db2.gz WFHQWFVPRGNSNE-AWEZNQCLSA-N 0 3 278.783 2.900 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C)cc1SC ZINC000876692281 642976664 /nfs/dbraw/zinc/97/66/64/642976664.db2.gz PHNDLCYPZPMHMB-LBPRGKRZSA-N 0 3 298.839 2.803 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(CC)c1 ZINC000876881502 643049072 /nfs/dbraw/zinc/04/90/72/643049072.db2.gz ICCPMVGVGMYZDR-ZDUSSCGKSA-N 0 3 266.772 2.966 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC)c(F)c1 ZINC000876882621 643050093 /nfs/dbraw/zinc/05/00/93/643050093.db2.gz MSGQLFVDUXHOTF-LBPRGKRZSA-N 0 3 270.735 2.797 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(Cl)c(C)c1 ZINC000876885891 643051229 /nfs/dbraw/zinc/05/12/29/643051229.db2.gz RHOAMGPVKPWSNM-GFCCVEGCSA-N 0 3 287.190 2.735 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC ZINC000876885913 643052462 /nfs/dbraw/zinc/05/24/62/643052462.db2.gz RRBUQVRSAWGPNL-HUUCEWRRSA-N 0 3 292.810 2.820 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1CCC(C)C ZINC000876896404 643055622 /nfs/dbraw/zinc/05/56/22/643055622.db2.gz CDRZTMNMVDUNEO-QWHCGFSZSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C2CC2)cc1 ZINC000876897711 643056351 /nfs/dbraw/zinc/05/63/51/643056351.db2.gz UUQVYSOFNFGNIR-AWEZNQCLSA-N 0 3 278.783 2.650 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccccc2F)CCC1 ZINC000876937385 643071715 /nfs/dbraw/zinc/07/17/15/643071715.db2.gz VKEVYMLMXYJOGU-ZDUSSCGKSA-N 0 3 296.773 2.791 20 30 CFEDHN CCCCCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000876987609 643094496 /nfs/dbraw/zinc/09/44/96/643094496.db2.gz CDYCKIGBWFMLAT-JKIFEVAISA-N 0 3 296.455 2.606 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(C)CCC(F)(F)CC1 ZINC000877005670 643101233 /nfs/dbraw/zinc/10/12/33/643101233.db2.gz KZUAHMBGRWSEIZ-SECBINFHSA-N 0 3 280.746 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)C(F)(F)CC ZINC000877031810 643111471 /nfs/dbraw/zinc/11/14/71/643111471.db2.gz BWSJVGRUPLYCGA-SECBINFHSA-N 0 3 282.762 2.644 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(C)CCC(C)(C)CC1 ZINC000877034560 643112893 /nfs/dbraw/zinc/11/28/93/643112893.db2.gz KKBHLGMFHYCKHN-LLVKDONJSA-N 0 3 272.820 2.931 20 30 CFEDHN C#CCSCCNCc1cc(OC)c(O)cc1Cl ZINC000877047673 643119280 /nfs/dbraw/zinc/11/92/80/643119280.db2.gz CVWMVYOQDWJPSK-UHFFFAOYSA-N 0 3 285.796 2.510 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)cnc2Cl)[C@H]2CCO[C@H]21 ZINC000877058602 643126429 /nfs/dbraw/zinc/12/64/29/643126429.db2.gz CYLQRSYQBOHVCD-JHJVBQTASA-N 0 3 291.782 2.510 20 30 CFEDHN CO[C@H](CNCc1cc(C#N)ccc1F)CC(C)C ZINC000877067181 643131029 /nfs/dbraw/zinc/13/10/29/643131029.db2.gz BSRHNWXRUVLMKC-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN CS[C@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877067359 643131981 /nfs/dbraw/zinc/13/19/81/643131981.db2.gz CJEDOMVIIGCJKF-RYUDHWBXSA-N 0 3 281.812 2.980 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877069288 643133527 /nfs/dbraw/zinc/13/35/27/643133527.db2.gz ZQULMYHDERIBGH-DOMZBBRYSA-N 0 3 293.798 2.900 20 30 CFEDHN C=C(C)COCCNCc1cccc(Cl)c1N ZINC000877088550 643145580 /nfs/dbraw/zinc/14/55/80/643145580.db2.gz GWYFWIGBLWYUIL-UHFFFAOYSA-N 0 3 254.761 2.605 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000877122315 643161596 /nfs/dbraw/zinc/16/15/96/643161596.db2.gz PFOOOWMDFYXWFU-QLFBSQMISA-N 0 3 292.810 2.909 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCCO1 ZINC000877123878 643162970 /nfs/dbraw/zinc/16/29/70/643162970.db2.gz QMBDCTBQHWJHKC-CHWSQXEVSA-N 0 3 279.771 2.654 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)nc2)cc1 ZINC000126394745 643191833 /nfs/dbraw/zinc/19/18/33/643191833.db2.gz DFORJMZTUPHUAG-AWEZNQCLSA-N 0 3 296.370 2.953 20 30 CFEDHN CSC1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877484602 643300854 /nfs/dbraw/zinc/30/08/54/643300854.db2.gz KHBPLRQHWCNSKE-UHFFFAOYSA-N 0 3 281.812 2.982 20 30 CFEDHN CCC[C@@H](NCc1cccc(C#N)n1)[C@@H](O)c1ccccc1 ZINC000877488250 643303578 /nfs/dbraw/zinc/30/35/78/643303578.db2.gz DBRDMEXEVNHXTN-MSOLQXFVSA-N 0 3 295.386 2.945 20 30 CFEDHN COc1ccc(C[NH2+]C2CCC(C#N)CC2)c([O-])c1 ZINC000877494508 643307247 /nfs/dbraw/zinc/30/72/47/643307247.db2.gz XQNFABAZBVFVJE-UHFFFAOYSA-N 0 3 260.337 2.573 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877496656 643308297 /nfs/dbraw/zinc/30/82/97/643308297.db2.gz VVQCTYVFSRPSSH-GDBMZVCRSA-N 0 3 261.365 2.771 20 30 CFEDHN CC[C@@H]1CN(Cc2cc(C#N)ccc2N(C)C)CCCO1 ZINC000877501563 643312836 /nfs/dbraw/zinc/31/28/36/643312836.db2.gz RGYUDBFCOPSMRZ-MRXNPFEDSA-N 0 3 287.407 2.625 20 30 CFEDHN C#C[C@H](N[C@@H](C)C[C@@H]1CCCC(=O)N1)c1ccc(F)cc1 ZINC000877544287 643346427 /nfs/dbraw/zinc/34/64/27/643346427.db2.gz NSHHEMGBSFMWBR-RCBQFDQVSA-N 0 3 288.366 2.537 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877563499 643362054 /nfs/dbraw/zinc/36/20/54/643362054.db2.gz ONJCYVHRVJGAKS-GWCFXTLKSA-N 0 3 274.755 2.779 20 30 CFEDHN CC[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877595706 643388216 /nfs/dbraw/zinc/38/82/16/643388216.db2.gz HINROUPZSHGLPR-OLZOCXBDSA-N 0 3 279.771 2.654 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(OC)c(O)cc2Cl)C1 ZINC000877650174 643431845 /nfs/dbraw/zinc/43/18/45/643431845.db2.gz GWDNWQNBIDPOJR-LLVKDONJSA-N 0 3 279.767 2.899 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCSC2)c1 ZINC000877662235 643439578 /nfs/dbraw/zinc/43/95/78/643439578.db2.gz OTVHEVOGBFKENN-JTQLQIEISA-N 0 3 281.812 2.839 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@H]3C2)c(F)c1 ZINC000877737823 643498966 /nfs/dbraw/zinc/49/89/66/643498966.db2.gz LDIHHQVWCVQAHA-UONOGXRCSA-N 0 3 276.380 2.882 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cnc(C3CC3)o1)C2 ZINC000877766528 643545470 /nfs/dbraw/zinc/54/54/70/643545470.db2.gz DRWJYQWGYYCBME-OAHLLOKOSA-N 0 3 279.343 2.681 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000877998063 643686126 /nfs/dbraw/zinc/68/61/26/643686126.db2.gz HRHROTSIHINRSP-LBPRGKRZSA-N 0 3 265.788 2.822 20 30 CFEDHN CCCN(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878013372 643692443 /nfs/dbraw/zinc/69/24/43/643692443.db2.gz FKXUJNFBHYYRLL-INIZCTEOSA-N 0 3 258.365 2.769 20 30 CFEDHN C#CCCN1CCN(C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878312101 643833805 /nfs/dbraw/zinc/83/38/05/643833805.db2.gz GUTHPKWNXGHLDI-RTBURBONSA-N 0 3 298.430 2.548 20 30 CFEDHN C#CCCCCCN[C@@H](C)c1nnc2ccccn21 ZINC000878414434 643883091 /nfs/dbraw/zinc/88/30/91/643883091.db2.gz LVFIRLWCWVZBDA-ZDUSSCGKSA-N 0 3 256.353 2.574 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cnc(OC)c2ccccc12 ZINC000878517290 643924244 /nfs/dbraw/zinc/92/42/44/643924244.db2.gz OQXRZHJKJQUMLP-GFCCVEGCSA-N 0 3 254.333 2.697 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC[C@H]2CCCC2(F)F)C1=O ZINC000878550061 643937786 /nfs/dbraw/zinc/93/77/86/643937786.db2.gz OTKGKXQVDGPKSI-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCCCCN1CCN(c2cnccc2C)CC1 ZINC000878550869 643938925 /nfs/dbraw/zinc/93/89/25/643938925.db2.gz GMXNBJMFYJZRFC-UHFFFAOYSA-N 0 3 271.408 2.706 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000878751248 644013692 /nfs/dbraw/zinc/01/36/92/644013692.db2.gz VRPLJQUJDFYFJR-WMLDXEAASA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)C[C@H](C)N1CC#N ZINC000878771249 644021613 /nfs/dbraw/zinc/02/16/13/644021613.db2.gz GVMXCRRUFRWPEN-MJBXVCDLSA-N 0 3 285.382 2.730 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528866 644307235 /nfs/dbraw/zinc/30/72/35/644307235.db2.gz DPZIQVVJIYTJAO-CWRNSKLLSA-N 0 3 295.386 2.783 20 30 CFEDHN C#CCCN[C@@H](COC)c1cccc(Br)c1 ZINC000879663000 644371328 /nfs/dbraw/zinc/37/13/28/644371328.db2.gz RTMPLSPMPBAYEG-ZDUSSCGKSA-N 0 3 282.181 2.750 20 30 CFEDHN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3CC2(CC#N)CC2)no1 ZINC000879684286 644378767 /nfs/dbraw/zinc/37/87/67/644378767.db2.gz VXMSUQAARYDVBM-AGUYFDCRSA-N 0 3 286.379 2.782 20 30 CFEDHN CC(C)(C#N)CCN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222710 644587691 /nfs/dbraw/zinc/58/76/91/644587691.db2.gz CPNFCSZKIYCCHU-FZNQNYSPSA-N 0 3 258.365 2.566 20 30 CFEDHN CO[C@]1(C(F)(F)F)CCN(CCc2ccc(C#N)cc2)C1 ZINC000880306863 644643770 /nfs/dbraw/zinc/64/37/70/644643770.db2.gz CAMARXMJHUPOMV-CQSZACIVSA-N 0 3 298.308 2.754 20 30 CFEDHN CO[C@@]1(C(F)(F)F)CCN(CCc2ccc(C#N)cc2)C1 ZINC000880306861 644644684 /nfs/dbraw/zinc/64/46/84/644644684.db2.gz CAMARXMJHUPOMV-AWEZNQCLSA-N 0 3 298.308 2.754 20 30 CFEDHN C=CCCC[C@H](NCCS(C)(=O)=O)c1ccccc1 ZINC000880388798 644685728 /nfs/dbraw/zinc/68/57/28/644685728.db2.gz PCNBQDOLHKQQQW-HNNXBMFYSA-N 0 3 281.421 2.718 20 30 CFEDHN CC(C)(C)OCCCN1CCN(CCCCC#N)CC1 ZINC000880411617 644694997 /nfs/dbraw/zinc/69/49/97/644694997.db2.gz GQPCWKCZFVVYDU-UHFFFAOYSA-N 0 3 281.444 2.503 20 30 CFEDHN N#CCC1(CN[C@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000880568789 644769784 /nfs/dbraw/zinc/76/97/84/644769784.db2.gz CRJZLGJMPCKIRC-MRXNPFEDSA-N 0 3 280.375 2.908 20 30 CFEDHN C#CC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCC1 ZINC000882535922 645359449 /nfs/dbraw/zinc/35/94/49/645359449.db2.gz QMSUVBSEKXRYKF-UHFFFAOYSA-N 0 3 296.414 2.958 20 30 CFEDHN C#CCCOc1ccc(CNCc2ccccc2CO)cc1 ZINC000304064789 651014338 /nfs/dbraw/zinc/01/43/38/651014338.db2.gz SPJZPUJZNKODNS-UHFFFAOYSA-N 0 3 295.382 2.871 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc(C(C)C)c[nH]1 ZINC000883109917 645607531 /nfs/dbraw/zinc/60/75/31/645607531.db2.gz IWFLWDUOFFNYMO-WFASDCNBSA-N 0 3 263.385 2.604 20 30 CFEDHN C#CC[C@@H](CO)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000883123518 645613251 /nfs/dbraw/zinc/61/32/51/645613251.db2.gz AKSOKAQHISKQAL-AWEZNQCLSA-N 0 3 286.400 2.592 20 30 CFEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc2n1CCC2 ZINC000883170687 645638681 /nfs/dbraw/zinc/63/86/81/645638681.db2.gz ZPIRWXIZYLZRLB-MRXNPFEDSA-N 0 3 296.418 2.891 20 30 CFEDHN C=CCC[C@@H](NCc1cccc(F)n1)[C@H]1CCCO1 ZINC000883207946 645664846 /nfs/dbraw/zinc/66/48/46/645664846.db2.gz WBDPGQLKBCFSIJ-ZIAGYGMSSA-N 0 3 264.344 2.824 20 30 CFEDHN C=CCC[C@H](N[C@@H](CCO)c1ccco1)[C@H]1CCCO1 ZINC000883216523 645670102 /nfs/dbraw/zinc/67/01/02/645670102.db2.gz RHUVCBZRYYAAMU-SOUVJXGZSA-N 0 3 279.380 2.807 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC[C@@H](C)CCC)CC1 ZINC000883343255 645752900 /nfs/dbraw/zinc/75/29/00/645752900.db2.gz GRTPJNQWVAXHKD-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(F)cc1F ZINC000883388994 645786474 /nfs/dbraw/zinc/78/64/74/645786474.db2.gz IJRQSTPAZQCLDH-ZYHUDNBSSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000883399694 645795411 /nfs/dbraw/zinc/79/54/11/645795411.db2.gz TXIBTUDURBVDLG-LLVKDONJSA-N 0 3 289.297 2.844 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1ccc(Cl)cc1F ZINC000883400458 645796292 /nfs/dbraw/zinc/79/62/92/645796292.db2.gz NDHGPFWORATOMO-GFCCVEGCSA-N 0 3 257.736 2.896 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(C(OC)OC)ccc1F ZINC000883399982 645796392 /nfs/dbraw/zinc/79/63/92/645796392.db2.gz ARKWERBFIGVPFP-AWEZNQCLSA-N 0 3 297.370 2.534 20 30 CFEDHN Cc1cc(C)c(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c(C)c1 ZINC000884044797 646146588 /nfs/dbraw/zinc/14/65/88/646146588.db2.gz VWRQCNYLCNIKSR-SWKXRBFHSA-N 0 3 297.402 2.690 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2CCC=CCC2)CC1 ZINC000884131687 646230706 /nfs/dbraw/zinc/23/07/06/646230706.db2.gz RUHQSEVNIBQWJJ-UHFFFAOYSA-N 0 3 291.439 2.825 20 30 CFEDHN C=C(Br)CNC1CC(OC(C)(C)C)C1 ZINC000134558765 646361590 /nfs/dbraw/zinc/36/15/90/646361590.db2.gz UIOJYOCLWWTSRP-UHFFFAOYSA-N 0 3 262.191 2.831 20 30 CFEDHN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)C(C)C#N)C1 ZINC000884779939 646550377 /nfs/dbraw/zinc/55/03/77/646550377.db2.gz OSTRGIRJNMYXFT-LRDDRELGSA-N 0 3 294.395 2.507 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000885930690 646772051 /nfs/dbraw/zinc/77/20/51/646772051.db2.gz DUZFGQPPBQXOIM-RYUDHWBXSA-N 0 3 290.329 2.706 20 30 CFEDHN Cc1cc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)on1 ZINC000885958822 646783952 /nfs/dbraw/zinc/78/39/52/646783952.db2.gz MEVIDYSIJMMXNR-KBPBESRZSA-N 0 3 289.379 2.565 20 30 CFEDHN C=CCSCCNCc1ccc(OC)c(OC)c1F ZINC000885968937 646789143 /nfs/dbraw/zinc/78/91/43/646789143.db2.gz FGMBFGLHJBOMLC-UHFFFAOYSA-N 0 3 285.384 2.852 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccncc2)CCC1 ZINC000886090480 646862437 /nfs/dbraw/zinc/86/24/37/646862437.db2.gz ZCFSHKQZSXCGIO-JKSUJKDBSA-N 0 3 285.391 2.663 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccncc2)CCC1 ZINC000886090479 646862801 /nfs/dbraw/zinc/86/28/01/646862801.db2.gz ZCFSHKQZSXCGIO-HZPDHXFCSA-N 0 3 285.391 2.663 20 30 CFEDHN C[C@H](c1cccnc1)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886092533 646863915 /nfs/dbraw/zinc/86/39/15/646863915.db2.gz ZTWJDXJLHYUTCG-HIFRSBDPSA-N 0 3 273.380 2.519 20 30 CFEDHN Cc1[nH]nc(CN[C@@H]2CCc3cc(C#N)ccc32)c1C ZINC000886098130 646865699 /nfs/dbraw/zinc/86/56/99/646865699.db2.gz JJNQFFZYZWWGFG-OAHLLOKOSA-N 0 3 266.348 2.675 20 30 CFEDHN C[C@](O)(CN1CC=C(c2ccc(C#N)cc2)CC1)C(F)F ZINC000886100738 646873007 /nfs/dbraw/zinc/87/30/07/646873007.db2.gz WOZQLTCPVQICIW-INIZCTEOSA-N 0 3 292.329 2.663 20 30 CFEDHN CC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1c(C)noc1C ZINC000886127267 646884633 /nfs/dbraw/zinc/88/46/33/646884633.db2.gz GLZVVUJKQRGEJI-KGLIPLIRSA-N 0 3 291.395 2.777 20 30 CFEDHN Cc1ccc2c(c1)CCN(C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886167045 646904576 /nfs/dbraw/zinc/90/45/76/646904576.db2.gz YZAVQVADYYMAIZ-KRWDZBQOSA-N 0 3 284.403 2.798 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CC3(CCC3)CO2)c(F)c1 ZINC000886288971 646955496 /nfs/dbraw/zinc/95/54/96/646955496.db2.gz LDUZDOVMZSRSAX-AWEZNQCLSA-N 0 3 274.339 2.746 20 30 CFEDHN C[C@H]1CC(F)(F)CCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000886300753 646959105 /nfs/dbraw/zinc/95/91/05/646959105.db2.gz OVJBKIUNQXWRQN-RYUDHWBXSA-N 0 3 272.339 2.551 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000886353454 646982925 /nfs/dbraw/zinc/98/29/25/646982925.db2.gz JQPABIYNQLSHPH-JKSUJKDBSA-N 0 3 284.403 2.773 20 30 CFEDHN C#CC[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000886363828 646987573 /nfs/dbraw/zinc/98/75/73/646987573.db2.gz DVTVNRRSAYBZIR-IAQYHMDHSA-N 0 3 281.758 2.858 20 30 CFEDHN C#CCC1(NCc2ccc(F)cc2F)CCOCC1 ZINC000886384189 646994186 /nfs/dbraw/zinc/99/41/86/646994186.db2.gz IIGYDNZHHJFABV-UHFFFAOYSA-N 0 3 265.303 2.627 20 30 CFEDHN Cc1ccccc1[C@@H](CO)N(C)CC1(CC#N)CC1 ZINC000886441805 647003355 /nfs/dbraw/zinc/00/33/55/647003355.db2.gz HJWIMCURQWSYFR-OAHLLOKOSA-N 0 3 258.365 2.654 20 30 CFEDHN COc1ccc(CN[C@H](c2cnn(C)c2)C(C)C)cc1C#N ZINC000886553106 647044397 /nfs/dbraw/zinc/04/43/97/647044397.db2.gz DHLBPLTZJMWQNJ-KRWDZBQOSA-N 0 3 298.390 2.787 20 30 CFEDHN C#CCN(C(=O)c1cc(C)sc1C)C1CCN(C)CC1 ZINC000886587346 647055417 /nfs/dbraw/zinc/05/54/17/647055417.db2.gz SRSSZFWAMLREKX-UHFFFAOYSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C(=O)c1ccc(C(C)C)cc1)C1CCN(C)CC1 ZINC000886589180 647057085 /nfs/dbraw/zinc/05/70/85/647057085.db2.gz MCUKIFYWEQAWNV-UHFFFAOYSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCN1CCC[C@H](N[C@@H](C)c2cccc(F)c2F)C1 ZINC000886661052 647094979 /nfs/dbraw/zinc/09/49/79/647094979.db2.gz LEJPGOLOHWNGFU-STQMWFEESA-N 0 3 278.346 2.713 20 30 CFEDHN C#CCC1(NC(=O)c2ccc(NC3=NCCC3)cc2)CCC1 ZINC000886802694 647145469 /nfs/dbraw/zinc/14/54/69/647145469.db2.gz VEHLCYKABSWIER-UHFFFAOYSA-N 0 3 295.386 2.967 20 30 CFEDHN CCOC(=O)[C@@]1(F)CN(CCCC(C)(C)C#N)C[C@@H]1CC ZINC000886874644 647165393 /nfs/dbraw/zinc/16/53/93/647165393.db2.gz SJVMRQOOIBALAO-XJKSGUPXSA-N 0 3 298.402 2.930 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCN2CC)c([O-])c1 ZINC000887270525 647256929 /nfs/dbraw/zinc/25/69/29/647256929.db2.gz PCIZSIMOUKKLQB-IQFISFIMSA-N 0 3 289.423 2.752 20 30 CFEDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000300675546 647347225 /nfs/dbraw/zinc/34/72/25/647347225.db2.gz VTBXUJJDFVRERP-STQMWFEESA-N 0 3 250.367 2.915 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCC(C)(C)C2)CCC1 ZINC000890072751 647739937 /nfs/dbraw/zinc/73/99/37/647739937.db2.gz VISBPRYFCMKAOH-UHFFFAOYSA-N 0 3 264.413 2.581 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1ccc(-n2ccnc2)nc1 ZINC000924623469 648010392 /nfs/dbraw/zinc/01/03/92/648010392.db2.gz DVAAASNTUFROID-ZDUSSCGKSA-N 0 3 283.379 2.685 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000924768043 648045670 /nfs/dbraw/zinc/04/56/70/648045670.db2.gz WVHVGLNGJIJRCP-TUKIKUTGSA-N 0 3 258.365 2.563 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1ccc(F)cc1 ZINC000925424141 648166604 /nfs/dbraw/zinc/16/66/04/648166604.db2.gz ULWPVQUALGVDNR-BXUZGUMPSA-N 0 3 264.344 2.777 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccnn1CC1CCC1 ZINC000925631641 648251543 /nfs/dbraw/zinc/25/15/43/648251543.db2.gz IZOMNXYHBWRGBI-CQSZACIVSA-N 0 3 277.412 2.927 20 30 CFEDHN CSc1ccc(CN[C@H](C)c2cnccc2N)cc1C#N ZINC000925773914 648317529 /nfs/dbraw/zinc/31/75/29/648317529.db2.gz QGNICHMDRIIPBQ-LLVKDONJSA-N 0 3 298.415 2.939 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cnc2n1CCCC2 ZINC000926378148 648475580 /nfs/dbraw/zinc/47/55/80/648475580.db2.gz GNQVRQSRDIBFLM-GFCCVEGCSA-N 0 3 260.385 2.637 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(S(C)(=O)=O)c1 ZINC000926520106 648517753 /nfs/dbraw/zinc/51/77/53/648517753.db2.gz KZLKINJKCKVULF-GFCCVEGCSA-N 0 3 294.420 2.508 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cccc(Br)n1 ZINC000926544760 648526851 /nfs/dbraw/zinc/52/68/51/648526851.db2.gz FNKFZPGVIYDEKS-QWRGUYRKSA-N 0 3 299.212 2.822 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(CO)on1 ZINC000926676388 648571412 /nfs/dbraw/zinc/57/14/12/648571412.db2.gz LLOHDJRHQJINHZ-OUCADQQQSA-N 0 3 264.369 2.952 20 30 CFEDHN C[C@H](NC[C@]1(C)CCCCO1)c1cc(C#N)ccn1 ZINC000927017706 648684082 /nfs/dbraw/zinc/68/40/82/648684082.db2.gz YXFACUSGDKZKMY-WFASDCNBSA-N 0 3 259.353 2.563 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3c2OCC3)C1 ZINC000927092029 648708520 /nfs/dbraw/zinc/70/85/20/648708520.db2.gz XMMYCNGXBUHWMN-SWLSCSKDSA-N 0 3 256.349 2.793 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cccc3c2OCC3)C1 ZINC000927092030 648708609 /nfs/dbraw/zinc/70/86/09/648708609.db2.gz XMMYCNGXBUHWMN-WFASDCNBSA-N 0 3 256.349 2.793 20 30 CFEDHN N#C[C@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000928215231 648874061 /nfs/dbraw/zinc/87/40/61/648874061.db2.gz XHZRZTOYMKJPJS-CYBMUJFWSA-N 0 3 296.374 2.667 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC000928445129 648912351 /nfs/dbraw/zinc/91/23/51/648912351.db2.gz XDCVBQAGUFDUKI-BHYGNILZSA-N 0 3 286.419 2.945 20 30 CFEDHN COC(=O)C1CCN(Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929221940 649006610 /nfs/dbraw/zinc/00/66/10/649006610.db2.gz PSUNZXRJUKWOBM-UHFFFAOYSA-N 0 3 286.375 2.560 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(N)nc1 ZINC000929380233 649042768 /nfs/dbraw/zinc/04/27/68/649042768.db2.gz SZTBFKZNNXYBIH-UHFFFAOYSA-N 0 3 280.375 2.946 20 30 CFEDHN Cc1ccc([C@@H]2CCCCN2C[C@H](O)CC#N)cc1 ZINC000929702635 649101097 /nfs/dbraw/zinc/10/10/97/649101097.db2.gz HTKIHGOBWISQNJ-CVEARBPZSA-N 0 3 258.365 2.797 20 30 CFEDHN C[C@@H]1C[C@H](CN(CCC#N)CC2CC2)C[C@H](C)O1 ZINC000929774513 649117065 /nfs/dbraw/zinc/11/70/65/649117065.db2.gz AUTLUCHCTQIFLR-NHAGDIPZSA-N 0 3 250.386 2.816 20 30 CFEDHN N#CC[C@@H](O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000929815546 649129468 /nfs/dbraw/zinc/12/94/68/649129468.db2.gz DPEMVINAQKAZIM-AEFFLSMTSA-N 0 3 284.403 2.631 20 30 CFEDHN CCCN(Cc1cncc(C#N)c1)C[C@@H]1CCCCO1 ZINC000929968482 649157428 /nfs/dbraw/zinc/15/74/28/649157428.db2.gz QGQBCBNKBNRETF-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN COC/C(C)=C\CNC1(c2cccc(C#N)c2)CC1 ZINC000930219227 649208786 /nfs/dbraw/zinc/20/87/86/649208786.db2.gz KUBPMKOGRKXENS-MLPAPPSSSA-N 0 3 256.349 2.730 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C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001266496696 770209684 /nfs/dbraw/zinc/20/96/84/770209684.db2.gz WEWMJGKYAKSZQS-OWCLPIDISA-N 0 3 288.435 2.818 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001266537383 770295617 /nfs/dbraw/zinc/29/56/17/770295617.db2.gz KRCNXNSOLOWHIR-CVEARBPZSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)c2sccc2C(F)F)C1 ZINC001266564272 770346027 /nfs/dbraw/zinc/34/60/27/770346027.db2.gz UFJLIHAUUXITJC-JTQLQIEISA-N 0 3 298.358 2.513 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001266576512 770363556 /nfs/dbraw/zinc/36/35/56/770363556.db2.gz PLZZVVWIFXEQGT-IHRRRGAJSA-N 0 3 288.391 2.597 20 30 CFEDHN CC(C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266666432 770499910 /nfs/dbraw/zinc/49/99/10/770499910.db2.gz YOWSBKJVWCHPAZ-HDICACEKSA-N 0 3 298.430 2.711 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN(C[C@@H](F)CC)C1 ZINC001266758148 770583315 /nfs/dbraw/zinc/58/33/15/770583315.db2.gz OGBWEKXXELSMEP-KGLIPLIRSA-N 0 3 284.419 2.775 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001266848500 770671176 /nfs/dbraw/zinc/67/11/76/770671176.db2.gz BUBCRZMVAGNVGS-BBWFWOEESA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C=C(CC)CC)C1 ZINC001266891429 770717661 /nfs/dbraw/zinc/71/76/61/770717661.db2.gz JHLAKZWODUNLJP-GDBMZVCRSA-N 0 3 276.424 2.583 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001267024751 770822815 /nfs/dbraw/zinc/82/28/15/770822815.db2.gz PXRBOYQGSCXHMV-KRWDZBQOSA-N 0 3 298.430 2.812 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccsc1 ZINC001038042135 770867036 /nfs/dbraw/zinc/86/70/36/770867036.db2.gz LJPRKTGXMFMXNE-ZDUSSCGKSA-N 0 3 264.394 2.518 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@H](N(C)CC#CC)C1 ZINC001267110827 770911658 /nfs/dbraw/zinc/91/16/58/770911658.db2.gz JJFLTTLDCWOHPC-HOTGVXAUSA-N 0 3 276.424 2.535 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(Br)s1 ZINC000716927445 770921601 /nfs/dbraw/zinc/92/16/01/770921601.db2.gz BGPKHVUNUDWKRQ-VIFPVBQESA-N 0 3 288.210 2.639 20 30 CFEDHN C=C(Cl)CN[C@H](C)CCNC(=O)/C=C(\C)CC ZINC001267127963 770927409 /nfs/dbraw/zinc/92/74/09/770927409.db2.gz YTQKYYZPHDQSOU-ZJNQMXKESA-N 0 3 258.793 2.580 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1cc(C)no1 ZINC001267146950 770939833 /nfs/dbraw/zinc/93/98/33/770939833.db2.gz ZUAKMIZKSKUKPW-LBPRGKRZSA-N 0 3 293.411 2.570 20 30 CFEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)s1 ZINC000127942713 770942092 /nfs/dbraw/zinc/94/20/92/770942092.db2.gz DJTKRGRJYHNDPI-LBPRGKRZSA-N 0 3 299.355 2.721 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](C)OC)c([O-])c1 ZINC000588553275 773196091 /nfs/dbraw/zinc/19/60/91/773196091.db2.gz AQPCIFYFKHDFEZ-IEMQHYRPSA-N 0 3 264.369 2.692 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001267195663 773199799 /nfs/dbraw/zinc/19/97/99/773199799.db2.gz JJBKYBLPOJHLQP-AWEZNQCLSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H]1CCc2ccccc21 ZINC001276949801 775110033 /nfs/dbraw/zinc/11/00/33/775110033.db2.gz NIJCEAKXPZGZIU-IRXDYDNUSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H]1CCc2ccccc21 ZINC001276949800 775110239 /nfs/dbraw/zinc/11/02/39/775110239.db2.gz NIJCEAKXPZGZIU-IAGOWNOFSA-N 0 3 298.430 2.873 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001224149227 775113241 /nfs/dbraw/zinc/11/32/41/775113241.db2.gz PTLFCASNGFDZMU-WBVHZDCISA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001276955430 775126116 /nfs/dbraw/zinc/12/61/16/775126116.db2.gz HOEKULAOIGAROY-LSDHHAIUSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001267268333 775128650 /nfs/dbraw/zinc/12/86/50/775128650.db2.gz XLJFEOOTSSCKRI-CABCVRRESA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001267281954 775149754 /nfs/dbraw/zinc/14/97/54/775149754.db2.gz NCJKUBASNFDFLZ-SJORKVTESA-N 0 3 284.403 2.723 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)Cl)C[C@H]21 ZINC001042075769 775169238 /nfs/dbraw/zinc/16/92/38/775169238.db2.gz GBJKJYDLBSJMQH-ZIAGYGMSSA-N 0 3 296.842 2.874 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001267307280 775183217 /nfs/dbraw/zinc/18/32/17/775183217.db2.gz PKOHUIYPTTVTIK-HZPDHXFCSA-N 0 3 278.440 2.520 20 30 CFEDHN C=CCN(CCNC(=O)[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC001267329741 775209362 /nfs/dbraw/zinc/20/93/62/775209362.db2.gz PZVNDKUUVPDDEW-SFHVURJKSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038292557 775290311 /nfs/dbraw/zinc/29/03/11/775290311.db2.gz IDELAMDUTDPDTO-MRXNPFEDSA-N 0 3 298.430 2.946 20 30 CFEDHN C=CCN[C@@H](CNC(=O)c1c[nH]cc1C)c1ccccc1 ZINC001267382534 775297538 /nfs/dbraw/zinc/29/75/38/775297538.db2.gz QUDJGZRJOZCIPP-INIZCTEOSA-N 0 3 283.375 2.570 20 30 CFEDHN CC#CCN1CCC(CNC(=O)CCC(C)(C)C)CC1 ZINC001224904462 775303722 /nfs/dbraw/zinc/30/37/22/775303722.db2.gz MZDCLUIWJSRCMI-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN CCC[C@@H]1C[C@H]1C(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267427079 775323581 /nfs/dbraw/zinc/32/35/81/775323581.db2.gz VJSGEEOLLGEIBM-IAGOWNOFSA-N 0 3 299.418 2.542 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001225138430 775352555 /nfs/dbraw/zinc/35/25/55/775352555.db2.gz LTHPRRHQCYLXSM-HNNXBMFYSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@H](CC)C(C)C)CC1 ZINC001225191367 775361319 /nfs/dbraw/zinc/36/13/19/775361319.db2.gz OYKSDTURCIAVQG-INIZCTEOSA-N 0 3 278.440 2.520 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C3CCC3)C[C@@H]21 ZINC001042164741 775363890 /nfs/dbraw/zinc/36/38/90/775363890.db2.gz ITOGCBRYPBSZPU-ZBFHGGJFSA-N 0 3 290.451 2.922 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H](C)c2ccccc2)CC1 ZINC001225221576 775368494 /nfs/dbraw/zinc/36/84/94/775368494.db2.gz LLACTNGWQIAIJP-MRXNPFEDSA-N 0 3 298.430 2.642 20 30 CFEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CCCC2CC2)C1 ZINC001267473898 775371490 /nfs/dbraw/zinc/37/14/90/775371490.db2.gz GGXJLVDSWOQYEH-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN N#Cc1ccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)cc1 ZINC001225243429 775377010 /nfs/dbraw/zinc/37/70/10/775377010.db2.gz QMKOLKWZSSRQEA-JCNLHEQBSA-N 0 3 286.375 2.580 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267495654 775391689 /nfs/dbraw/zinc/39/16/89/775391689.db2.gz FDOXNZMBWCDMAG-NVXWUHKLSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN[C@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC001267516149 775409697 /nfs/dbraw/zinc/40/96/97/775409697.db2.gz APORPHBSQSNVMC-CZUORRHYSA-N 0 3 272.392 2.666 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC001267517866 775412245 /nfs/dbraw/zinc/41/22/45/775412245.db2.gz UJMZPPXXCHKXNR-XWTMOSNGSA-N 0 3 296.414 2.503 20 30 CFEDHN C#CCCN1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267543692 775452556 /nfs/dbraw/zinc/45/25/56/775452556.db2.gz JDVBSUFMQXUBLS-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN COCCN1CCC(Oc2ccc(C#N)c(C)c2C)CC1 ZINC001225513872 775487933 /nfs/dbraw/zinc/48/79/33/775487933.db2.gz TXZRWNYMOSREAS-UHFFFAOYSA-N 0 3 288.391 2.665 20 30 CFEDHN C#CCN1CCC(CNC(=O)CCCC2CCCC2)CC1 ZINC001225590619 775515628 /nfs/dbraw/zinc/51/56/28/775515628.db2.gz BOAFNWOHKPYZRC-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN CC#CCCCC(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001267588515 775529516 /nfs/dbraw/zinc/52/95/16/775529516.db2.gz VYZUBJCPHIAANK-VSGCLNPGSA-N 0 3 296.842 2.713 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC001225639617 775536538 /nfs/dbraw/zinc/53/65/38/775536538.db2.gz VLRZKQQRJFULEH-WBVHZDCISA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025189467 775563038 /nfs/dbraw/zinc/56/30/38/775563038.db2.gz QKAJIYRMOIZYMT-CABCVRRESA-N 0 3 294.414 2.603 20 30 CFEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025189999 775563077 /nfs/dbraw/zinc/56/30/77/775563077.db2.gz UPNINQRPAURURH-CHWSQXEVSA-N 0 3 286.366 2.673 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001025211745 775569912 /nfs/dbraw/zinc/56/99/12/775569912.db2.gz FQXKUXNHFMKGQR-IAGOWNOFSA-N 0 3 288.435 2.655 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025202622 775570525 /nfs/dbraw/zinc/57/05/25/775570525.db2.gz BKDOWDHZZPABEA-HOTGVXAUSA-N 0 3 276.424 2.511 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025202621 775570551 /nfs/dbraw/zinc/57/05/51/775570551.db2.gz BKDOWDHZZPABEA-CVEARBPZSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220559 775575163 /nfs/dbraw/zinc/57/51/63/775575163.db2.gz HMSMAYAPKLKZQI-IRXDYDNUSA-N 0 3 286.419 2.575 20 30 CFEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2)C1 ZINC001025312013 775593326 /nfs/dbraw/zinc/59/33/26/775593326.db2.gz MQHIEXGTKNOCRO-WBVHZDCISA-N 0 3 284.403 2.540 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025325670 775604014 /nfs/dbraw/zinc/60/40/14/775604014.db2.gz IZKJPBVRHNWFGA-KGLIPLIRSA-N 0 3 290.432 2.520 20 30 CFEDHN C[C@H](COCC(F)(F)F)NCC#Cc1ccccc1 ZINC000892684041 775616641 /nfs/dbraw/zinc/61/66/41/775616641.db2.gz PKZUNEKBERFLHT-GFCCVEGCSA-N 0 3 271.282 2.595 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2cccc(F)c2C#N)C1 ZINC001225973341 775653310 /nfs/dbraw/zinc/65/33/10/775653310.db2.gz GJFRSQUAIOPDST-GFCCVEGCSA-N 0 3 262.328 2.949 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2ccc(C#N)cc2F)C1 ZINC001226049345 775680665 /nfs/dbraw/zinc/68/06/65/775680665.db2.gz OROUPHXHMLDAAS-CYBMUJFWSA-N 0 3 262.328 2.949 20 30 CFEDHN Cc1cc(C)c(C#N)c(O[C@@H]2CCCN(C(C)C)C2)n1 ZINC001226088459 775695174 /nfs/dbraw/zinc/69/51/74/775695174.db2.gz PMQPKPNTYYQNEE-CQSZACIVSA-N 0 3 273.380 2.822 20 30 CFEDHN [O-]/N=C/c1cccc(OC2CC[NH+](C3CC3)CC2)c1 ZINC001226115023 775703297 /nfs/dbraw/zinc/70/32/97/775703297.db2.gz VHWRBLWTLSVEGG-LFIBNONCSA-N 0 3 260.337 2.500 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000328218354 775734784 /nfs/dbraw/zinc/73/47/84/775734784.db2.gz YWKOKEHNBHKWLK-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN C=C(C)n1c2ccccc2nc1O[C@@H]1CCCN(C)C1 ZINC001226218906 775741366 /nfs/dbraw/zinc/74/13/66/775741366.db2.gz NZHDWEAGEMDVJN-CYBMUJFWSA-N 0 3 271.364 3.000 20 30 CFEDHN C=C1CC(C)(C(=O)N2CC[C@H](CN(C)C/C=C/Cl)C2)C1 ZINC001267684973 775776197 /nfs/dbraw/zinc/77/61/97/775776197.db2.gz VRBHFUNGTNEMRA-YVARQFDVSA-N 0 3 296.842 2.876 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN1C[C@@H](C)CC ZINC001038343358 775788895 /nfs/dbraw/zinc/78/88/95/775788895.db2.gz APWUFMMWDCWWOS-LSDHHAIUSA-N 0 3 289.423 2.524 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001267728382 775823329 /nfs/dbraw/zinc/82/33/29/775823329.db2.gz AOYUSUVSGCYPLJ-GJZGRUSLSA-N 0 3 278.440 2.663 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001267729661 775825304 /nfs/dbraw/zinc/82/53/04/775825304.db2.gz BNLAKYSDMGWFMS-KRWDZBQOSA-N 0 3 286.419 2.776 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001267734285 775829400 /nfs/dbraw/zinc/82/94/00/775829400.db2.gz BPQMDTPRDAHJKQ-RDJZCZTQSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001267738535 775846715 /nfs/dbraw/zinc/84/67/15/775846715.db2.gz JJFAEWQQYVODLM-DGCLKSJQSA-N 0 3 293.436 2.610 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001267762804 775893102 /nfs/dbraw/zinc/89/31/02/775893102.db2.gz IYONUKNEPAEZNP-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1ccns1 ZINC001267808203 775947407 /nfs/dbraw/zinc/94/74/07/775947407.db2.gz MZGATOHIRJYSOK-GFCCVEGCSA-N 0 3 295.452 2.730 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@H](CC)NCc1cccnc1 ZINC001267808785 775950125 /nfs/dbraw/zinc/95/01/25/775950125.db2.gz XXZSCDRPOAFNSO-HNNXBMFYSA-N 0 3 289.423 2.668 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(CCOC(C)C)C1 ZINC001267937176 776068471 /nfs/dbraw/zinc/06/84/71/776068471.db2.gz JFZLIYUGIGPVAJ-OAHLLOKOSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC001227312374 776176257 /nfs/dbraw/zinc/17/62/57/776176257.db2.gz KSCLLROIEGQXAV-CQSZACIVSA-N 0 3 289.335 2.718 20 30 CFEDHN CCCCCCCN1CC2(C1)SCC[C@H]2C(=O)N(C)C ZINC001277225397 776245465 /nfs/dbraw/zinc/24/54/65/776245465.db2.gz JCVGJQADCCTVGR-AWEZNQCLSA-N 0 3 298.496 2.853 20 30 CFEDHN CCCCCCN1CC[C@@H]2C[C@@]21C(=O)NC1(C#N)CCC1 ZINC001277227026 776247566 /nfs/dbraw/zinc/24/75/66/776247566.db2.gz YWDZICUGYSKFMV-PBHICJAKSA-N 0 3 289.423 2.594 20 30 CFEDHN CCN1CC[C@@H](Oc2nc(C)c(Cl)c(C)c2C#N)C1 ZINC001227828041 776300735 /nfs/dbraw/zinc/30/07/35/776300735.db2.gz LMUVCFYCMPDPMB-LLVKDONJSA-N 0 3 279.771 2.697 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001027419210 776315351 /nfs/dbraw/zinc/31/53/51/776315351.db2.gz NCASPQWNPSEMDS-ARFHVFGLSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001027426389 776318295 /nfs/dbraw/zinc/31/82/95/776318295.db2.gz QZVXCPGDECACFQ-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sc(C)cc2C)C1 ZINC001027430747 776319819 /nfs/dbraw/zinc/31/98/19/776319819.db2.gz YFHFHKZIYQTMHP-CQSZACIVSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC001027445228 776323245 /nfs/dbraw/zinc/32/32/45/776323245.db2.gz DZKCORVJISQSLV-MRXNPFEDSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001027460535 776325980 /nfs/dbraw/zinc/32/59/80/776325980.db2.gz KGQIHXIUAQTIEK-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001027460537 776326084 /nfs/dbraw/zinc/32/60/84/776326084.db2.gz KGQIHXIUAQTIEK-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCc1ccc(OCCN2CC[C@@H](OC)C2)c(OC)c1 ZINC001227926779 776332697 /nfs/dbraw/zinc/33/26/97/776332697.db2.gz KXIHMELVVAMYFB-OAHLLOKOSA-N 0 3 291.391 2.523 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000686837164 776341833 /nfs/dbraw/zinc/34/18/33/776341833.db2.gz XXSSDMUQHNWZIH-NSHDSACASA-N 0 3 278.318 2.970 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001027596674 776373414 /nfs/dbraw/zinc/37/34/14/776373414.db2.gz YHSPONVRNSWHRM-AEFFLSMTSA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC001027597492 776376290 /nfs/dbraw/zinc/37/62/90/776376290.db2.gz LCNWSYPFDXFBKA-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC001277266763 776387963 /nfs/dbraw/zinc/38/79/63/776387963.db2.gz LMNJZQDOYAFQMV-HNNXBMFYSA-N 0 3 290.451 2.855 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC001027672720 776406303 /nfs/dbraw/zinc/40/63/03/776406303.db2.gz GUFKIFZOSRTPPG-QGZVFWFLSA-N 0 3 298.430 2.781 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001027691008 776410159 /nfs/dbraw/zinc/41/01/59/776410159.db2.gz KZENYHDVEQXJKH-AEFFLSMTSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2coc3ccccc32)C1 ZINC001027703315 776415758 /nfs/dbraw/zinc/41/57/58/776415758.db2.gz WQGFUXNSTVVQPX-AWEZNQCLSA-N 0 3 296.370 2.602 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccccc1F ZINC001027723428 776426653 /nfs/dbraw/zinc/42/66/53/776426653.db2.gz COKPCQUFBIENIO-CYBMUJFWSA-N 0 3 276.355 2.596 20 30 CFEDHN N#Cc1c(F)cc(OC2CCN(C3CC3)CC2)cc1F ZINC001228224258 776427221 /nfs/dbraw/zinc/42/72/21/776427221.db2.gz QPJDUDFSYAISEQ-UHFFFAOYSA-N 0 3 278.302 2.842 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC(C)(F)F ZINC001228425314 776486468 /nfs/dbraw/zinc/48/64/68/776486468.db2.gz KZPBOPUFOIPIMR-GHMZBOCLSA-N 0 3 294.773 2.801 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027878952 776487836 /nfs/dbraw/zinc/48/78/36/776487836.db2.gz KWBZINYVLUWRBC-LSDHHAIUSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001027913646 776506984 /nfs/dbraw/zinc/50/69/84/776506984.db2.gz HUDILMWDROATCJ-GFCCVEGCSA-N 0 3 287.363 2.531 20 30 CFEDHN CCCc1cc(C)nc(O[C@H]2CCN(CC)C2)c1C#N ZINC001228600049 776536369 /nfs/dbraw/zinc/53/63/69/776536369.db2.gz URNWZRLRYXYFTA-AWEZNQCLSA-N 0 3 273.380 2.687 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001027996115 776546871 /nfs/dbraw/zinc/54/68/71/776546871.db2.gz DQYHIKXZIITIOZ-OAHLLOKOSA-N 0 3 299.418 2.729 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001028004039 776551014 /nfs/dbraw/zinc/55/10/14/776551014.db2.gz NHDXTIWKGQVUBG-OAHLLOKOSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)CNCc1cncs1 ZINC001268086101 776560822 /nfs/dbraw/zinc/56/08/22/776560822.db2.gz WNGLQWDFTRDSIU-DOMZBBRYSA-N 0 3 295.452 2.682 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001028057070 776575862 /nfs/dbraw/zinc/57/58/62/776575862.db2.gz BQJCVYSTRYWHPT-AWEZNQCLSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001028105972 776626461 /nfs/dbraw/zinc/62/64/61/776626461.db2.gz RBPQIQZFXZUJBU-LBPRGKRZSA-N 0 3 294.345 2.735 20 30 CFEDHN N#C[C@H]1CC[C@H](Nc2ccc3c(c2)COC32CNC2)CC1 ZINC001167845693 776627597 /nfs/dbraw/zinc/62/75/97/776627597.db2.gz OJGYZDDPCIQLSN-MQMHXKEQSA-N 0 3 283.375 2.510 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028115063 776635520 /nfs/dbraw/zinc/63/55/20/776635520.db2.gz WGJQYDJGRZNKKB-INIZCTEOSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123256 776642399 /nfs/dbraw/zinc/64/23/99/776642399.db2.gz PMVSRVGYGPNDHJ-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028122548 776642770 /nfs/dbraw/zinc/64/27/70/776642770.db2.gz IZBWJAJTTFKFBI-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)[C@H]1C ZINC001139726665 776682319 /nfs/dbraw/zinc/68/23/19/776682319.db2.gz YSTCVTMSTYZSAY-XJKSGUPXSA-N 0 3 286.375 2.640 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001028181265 776683806 /nfs/dbraw/zinc/68/38/06/776683806.db2.gz POSBRRSELYKQNQ-LBPRGKRZSA-N 0 3 296.823 2.619 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C(C)(C)c1ccc(C)cc1 ZINC001268255312 776725630 /nfs/dbraw/zinc/72/56/30/776725630.db2.gz XKZRXVJTULJQHW-UHFFFAOYSA-N 0 3 288.435 2.849 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001028286024 776822418 /nfs/dbraw/zinc/82/24/18/776822418.db2.gz LVRVEWUMXVUGSX-OAHLLOKOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001028321100 776853375 /nfs/dbraw/zinc/85/33/75/776853375.db2.gz ZIKFJJWUBPWZFA-OAHLLOKOSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001028324754 776855837 /nfs/dbraw/zinc/85/58/37/776855837.db2.gz YBXSISNNTBZXKC-CYBMUJFWSA-N 0 3 293.436 2.530 20 30 CFEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)C1(CC)CC1 ZINC001268477168 776865247 /nfs/dbraw/zinc/86/52/47/776865247.db2.gz NMTHBAHMUJTHMP-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN COc1ccc(C[C@H](C)CNCCC#N)cc1F ZINC000425983664 776872896 /nfs/dbraw/zinc/87/28/96/776872896.db2.gz DDZXJKLVZVGPDW-NSHDSACASA-N 0 3 250.317 2.516 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)[C@H](CC)CCC)CC1 ZINC001229785721 776892133 /nfs/dbraw/zinc/89/21/33/776892133.db2.gz OPWUQQSHSXGEDF-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN C#CCCCC(=O)N[C@H](C)CNCc1cc(C)ccc1F ZINC001268641951 777007521 /nfs/dbraw/zinc/00/75/21/777007521.db2.gz LWOLGMNKTKZBQX-CQSZACIVSA-N 0 3 290.382 2.532 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001230584836 777019854 /nfs/dbraw/zinc/01/98/54/777019854.db2.gz OBSBBDMWVJZBAJ-MRXNPFEDSA-N 0 3 290.382 2.938 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230598988 777022752 /nfs/dbraw/zinc/02/27/52/777022752.db2.gz DPQSOSGVILSTMO-QWHCGFSZSA-N 0 3 270.392 2.622 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001230621338 777028054 /nfs/dbraw/zinc/02/80/54/777028054.db2.gz NLNZGRJDBIAFRD-MRXNPFEDSA-N 0 3 272.392 2.799 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(Cl)cc(OC)c1 ZINC001268752590 777046997 /nfs/dbraw/zinc/04/69/97/777046997.db2.gz QCBRBZDTDGXDNR-LLVKDONJSA-N 0 3 296.798 2.585 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001268758839 777047466 /nfs/dbraw/zinc/04/74/66/777047466.db2.gz GPLUIWYRFQZLNT-VNCLNFNDSA-N 0 3 298.430 2.731 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccoc1C(C)C ZINC001268760680 777048035 /nfs/dbraw/zinc/04/80/35/777048035.db2.gz WWXLIDGYAGYRJF-GFCCVEGCSA-N 0 3 264.369 2.639 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc2ncsc2c1 ZINC001268757422 777048190 /nfs/dbraw/zinc/04/81/90/777048190.db2.gz SMYFWWAVBZALQQ-LLVKDONJSA-N 0 3 289.404 2.532 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734533 777053421 /nfs/dbraw/zinc/05/34/21/777053421.db2.gz FPMLUIPUIIITDM-JKSUJKDBSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCC1(C(=O)NCC2CN(CC[C@@H](C)F)C2)CCC1 ZINC001268874109 777068458 /nfs/dbraw/zinc/06/84/58/777068458.db2.gz FLDBTCXPYBVWEA-CYBMUJFWSA-N 0 3 282.403 2.529 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1 ZINC001268983674 777083986 /nfs/dbraw/zinc/08/39/86/777083986.db2.gz DZZBAJSETDGKAV-ROUUACIJSA-N 0 3 298.430 2.871 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001269068769 777096440 /nfs/dbraw/zinc/09/64/40/777096440.db2.gz ABSPNMYMTYTROI-CVEARBPZSA-N 0 3 278.440 2.807 20 30 CFEDHN CCCCCCCN1CC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001269104229 777101340 /nfs/dbraw/zinc/10/13/40/777101340.db2.gz NDZWOICDGXOHCA-CQSZACIVSA-N 0 3 293.411 2.758 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001269108482 777102746 /nfs/dbraw/zinc/10/27/46/777102746.db2.gz ZHLZRMNCZWOWIO-HUUCEWRRSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)COCCC ZINC001231078542 777133946 /nfs/dbraw/zinc/13/39/46/777133946.db2.gz ASWIZAJNNCRHPW-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001269239755 777147609 /nfs/dbraw/zinc/14/76/09/777147609.db2.gz DRWANYYLIUQFKL-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001231123211 777148937 /nfs/dbraw/zinc/14/89/37/777148937.db2.gz RIKXEPYHQTVOBX-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001269339992 777173954 /nfs/dbraw/zinc/17/39/54/777173954.db2.gz VRKNFSCBTCWJMF-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN CC#CCNC1(CNC(=O)CCCc2ccc(C)cc2)CC1 ZINC001269484537 777196882 /nfs/dbraw/zinc/19/68/82/777196882.db2.gz NNFBKAZAFFTFGN-UHFFFAOYSA-N 0 3 298.430 2.579 20 30 CFEDHN CC(C)N(CCN(C)CC1=CCCCC1)C(=O)[C@H](C)C#N ZINC001284529425 777202309 /nfs/dbraw/zinc/20/23/09/777202309.db2.gz IHWRWAGBCPOKQR-OAHLLOKOSA-N 0 3 291.439 2.815 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc3ccc(C#N)cc3n2)C1 ZINC001231369659 777203730 /nfs/dbraw/zinc/20/37/30/777203730.db2.gz DIQISKATWBNNBT-CQSZACIVSA-N 0 3 267.332 2.579 20 30 CFEDHN C=CCC1(C(=O)NCC2(NCC#CC)CC2)CCCCC1 ZINC001269541002 777204999 /nfs/dbraw/zinc/20/49/99/777204999.db2.gz UGSZJPDKCHYFMR-UHFFFAOYSA-N 0 3 288.435 2.775 20 30 CFEDHN C=CCCCCN(C)Cc1cccc(C(=O)OC)n1 ZINC001231427333 777217486 /nfs/dbraw/zinc/21/74/86/777217486.db2.gz IJMYBLNFOUGYFL-UHFFFAOYSA-N 0 3 262.353 2.656 20 30 CFEDHN C=C1CCC(C(=O)NC[C@H]2CCN(C[C@@H](F)CC)C2)CC1 ZINC001028781255 777243473 /nfs/dbraw/zinc/24/34/73/777243473.db2.gz SOMNRUPDVXFDRE-ZBFHGGJFSA-N 0 3 296.430 2.919 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC001231655891 777295149 /nfs/dbraw/zinc/29/51/49/777295149.db2.gz CLQUDQIXTACFNJ-OAHLLOKOSA-N 0 3 297.320 2.947 20 30 CFEDHN C#Cc1cccc(CN2CCC(Oc3ccncn3)CC2)c1 ZINC001231664552 777301667 /nfs/dbraw/zinc/30/16/67/777301667.db2.gz RYFIUYRBSYXINW-UHFFFAOYSA-N 0 3 293.370 2.501 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)C(C)(CC)CC)cc1 ZINC001270087619 777306163 /nfs/dbraw/zinc/30/61/63/777306163.db2.gz BUWLDTAKSDHJIC-UHFFFAOYSA-N 0 3 286.419 2.852 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCC1CCN(CCF)CC1 ZINC001270131599 777316036 /nfs/dbraw/zinc/31/60/36/777316036.db2.gz UIBQSJNKOFOQGU-UHFFFAOYSA-N 0 3 284.419 2.777 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001028910239 777317393 /nfs/dbraw/zinc/31/73/93/777317393.db2.gz QWNKHSLLQRSYFN-MRXNPFEDSA-N 0 3 298.430 2.885 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001028942056 777332608 /nfs/dbraw/zinc/33/26/08/777332608.db2.gz UTOGBUFADHZQLW-ULQDDVLXSA-N 0 3 290.451 2.664 20 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30 CFEDHN C=CCCCCN(C)Cc1ccc(C(=O)OC)[nH]1 ZINC001232078267 777432471 /nfs/dbraw/zinc/43/24/71/777432471.db2.gz MMRDRAPCACTTDW-UHFFFAOYSA-N 0 3 250.342 2.589 20 30 CFEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001270633101 777436233 /nfs/dbraw/zinc/43/62/33/777436233.db2.gz PQQFBRWSDCZSGA-WBVHZDCISA-N 0 3 278.440 2.663 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)Cc2cccc(F)c2)C1 ZINC001270650713 777441412 /nfs/dbraw/zinc/44/14/12/777441412.db2.gz XGXIDNVXJPNTRX-QGZVFWFLSA-N 0 3 290.382 2.525 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cnc(-c3cccnc3)o2)C1 ZINC001232133807 777448282 /nfs/dbraw/zinc/44/82/82/777448282.db2.gz ODVJUPCRJNJJSN-ZDUSSCGKSA-N 0 3 267.332 2.582 20 30 CFEDHN CN(C)Cc1cc(F)cc(CN2CCCC[C@H]2C#N)c1 ZINC001232146179 777451339 /nfs/dbraw/zinc/45/13/39/777451339.db2.gz KOZVFHFMBIEBRT-INIZCTEOSA-N 0 3 275.371 2.765 20 30 CFEDHN C#CC1CCN(Cc2ccc(OCC)nc2C)CC1 ZINC001232309908 777515788 /nfs/dbraw/zinc/51/57/88/777515788.db2.gz IELQKPJVLYXSNS-UHFFFAOYSA-N 0 3 258.365 2.634 20 30 CFEDHN C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C)C1 ZINC001112154731 777543810 /nfs/dbraw/zinc/54/38/10/777543810.db2.gz ZADOUHQCBPEDAU-VXGBXAGGSA-N 0 3 290.329 2.508 20 30 CFEDHN Cc1ncc(CN2CCC(Oc3ccccc3C#N)CC2)[nH]1 ZINC001232464987 777569863 /nfs/dbraw/zinc/56/98/63/777569863.db2.gz PHRYODBJCRDHKP-UHFFFAOYSA-N 0 3 296.374 2.633 20 30 CFEDHN N#Cc1ccnc(CN2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001232479211 777574454 /nfs/dbraw/zinc/57/44/54/777574454.db2.gz OLFNCFYZVCJYNY-CABCVRRESA-N 0 3 255.365 2.965 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](C)N(CCOCCC#N)[C@H]2C ZINC000339080769 777583464 /nfs/dbraw/zinc/58/34/64/777583464.db2.gz NGABIOCJVHPLHK-KGLIPLIRSA-N 0 3 288.391 2.933 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H]1CC ZINC001087531046 777598795 /nfs/dbraw/zinc/59/87/95/777598795.db2.gz FEFWLRIWARCLLY-ZVDSWSACSA-N 0 3 276.424 2.578 20 30 CFEDHN CC/C(C)=C\C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001270955908 777615168 /nfs/dbraw/zinc/61/51/68/777615168.db2.gz CMIDPBGQMLUFNB-WAIALKQBSA-N 0 3 298.430 2.831 20 30 CFEDHN O=C1C=C2CN(Cc3c(Cl)ccnc3F)CCC2S1 ZINC001232612955 777615962 /nfs/dbraw/zinc/61/59/62/777615962.db2.gz PETCMHUNCCKMQD-LLVKDONJSA-N 0 3 298.770 2.648 20 30 CFEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H](F)C(C)C)cc1 ZINC001280353881 777623339 /nfs/dbraw/zinc/62/33/39/777623339.db2.gz CYQOSOPWPIUEON-CJNGLKHVSA-N 0 3 290.382 2.581 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1CC ZINC001087554685 777651178 /nfs/dbraw/zinc/65/11/78/777651178.db2.gz RZIJAFATWOUBSG-GXTWGEPZSA-N 0 3 293.436 2.610 20 30 CFEDHN Cc1c(Cl)nccc1CN1CCC2SC(=O)C=C2C1 ZINC001232749689 777656489 /nfs/dbraw/zinc/65/64/89/777656489.db2.gz OKEJTNBYQIQVFZ-LBPRGKRZSA-N 0 3 294.807 2.818 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087567494 777660573 /nfs/dbraw/zinc/66/05/73/777660573.db2.gz SCZHWDCNMXVBQT-LSDHHAIUSA-N 0 3 262.397 2.642 20 30 CFEDHN C#CC1CCN(Cc2cc(OC)c(C)cc2OC)CC1 ZINC001232836158 777686513 /nfs/dbraw/zinc/68/65/13/777686513.db2.gz LTTRTRUVFPRMGX-UHFFFAOYSA-N 0 3 273.376 2.857 20 30 CFEDHN N#Cc1ccc(CN2CCC3(CCOC3)CC2)s1 ZINC001232841884 777690435 /nfs/dbraw/zinc/69/04/35/777690435.db2.gz DSMYYSNPFCHNMA-UHFFFAOYSA-N 0 3 262.378 2.622 20 30 CFEDHN CO[C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC001232890264 777709349 /nfs/dbraw/zinc/70/93/49/777709349.db2.gz BEPHGENIEHDRGB-XOKHGSTOSA-N 0 3 288.366 2.944 20 30 CFEDHN Cc1ccc(CN2CCC[C@@](C)(CO)CC2)c(C#N)c1 ZINC001232961729 777739582 /nfs/dbraw/zinc/73/95/82/777739582.db2.gz DRMCLLCJMURRBV-QGZVFWFLSA-N 0 3 272.392 2.851 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)ncc1O ZINC001233036365 777771136 /nfs/dbraw/zinc/77/11/36/777771136.db2.gz PJIXDTXLIPZIIE-UHFFFAOYSA-N 0 3 287.750 2.944 20 30 CFEDHN Cc1nc(C2CCN(Cc3ccc(C#N)cc3C)CC2)no1 ZINC001233082865 777791624 /nfs/dbraw/zinc/79/16/24/777791624.db2.gz LMQKLDPZEMFPPV-UHFFFAOYSA-N 0 3 296.374 2.938 20 30 CFEDHN CC[C@H](C)N(C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233099136 777794818 /nfs/dbraw/zinc/79/48/18/777794818.db2.gz PQQTZEZSCZQTJD-NSHDSACASA-N 0 3 263.360 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284.831 2.756 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001233673519 778033216 /nfs/dbraw/zinc/03/32/16/778033216.db2.gz FNJDDBIKIMQSEQ-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001271984347 778053735 /nfs/dbraw/zinc/05/37/35/778053735.db2.gz GXMMIIQNSMBWSJ-UHFFFAOYSA-N 0 3 266.429 2.635 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233728404 778055028 /nfs/dbraw/zinc/05/50/28/778055028.db2.gz BOMAHJGNYADOSA-ZIAGYGMSSA-N 0 3 284.469 2.627 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233926413 778115511 /nfs/dbraw/zinc/11/55/11/778115511.db2.gz NECMVGLIVTURQX-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233926414 778115934 /nfs/dbraw/zinc/11/59/34/778115934.db2.gz NECMVGLIVTURQX-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234008271 778138589 /nfs/dbraw/zinc/13/85/89/778138589.db2.gz VCASNJRISOESST-CYBMUJFWSA-N 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ZLGICXRBGONXES-AWEZNQCLSA-N 0 3 276.811 2.522 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(C)c(F)c1 ZINC001272060878 778241731 /nfs/dbraw/zinc/24/17/31/778241731.db2.gz MMXJXOHHSFYZIQ-UHFFFAOYSA-N 0 3 278.371 2.714 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)CC(C)(C)CC(F)F ZINC001272068339 778249905 /nfs/dbraw/zinc/24/99/05/778249905.db2.gz YIKVYCWJVOUVCB-UHFFFAOYSA-N 0 3 276.371 2.634 20 30 CFEDHN CCN1CCN(c2ccc(OC3CC(C#N)C3)cc2)CC1 ZINC001234657079 778279751 /nfs/dbraw/zinc/27/97/51/778279751.db2.gz ASQLTUJDYQGGSE-UHFFFAOYSA-N 0 3 285.391 2.509 20 30 CFEDHN C=CCCN1C[C@@H](NC(=O)CCCC(C)(C)C)[C@H](OC)C1 ZINC001212028164 778329085 /nfs/dbraw/zinc/32/90/85/778329085.db2.gz LIOLREODVFZLAF-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C#CCC1(C(=O)N(C)CCN(C)CC=C)CCCCC1 ZINC001272185372 778369664 /nfs/dbraw/zinc/36/96/64/778369664.db2.gz LRAULZXPBTVUBF-UHFFFAOYSA-N 0 3 276.424 2.536 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001272184937 778369960 /nfs/dbraw/zinc/36/99/60/778369960.db2.gz FXXSGDSHYKPKSK-UHFFFAOYSA-N 0 3 290.451 2.616 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2cccc(N3CCOCC3)c2)C1 ZINC001235082601 778374757 /nfs/dbraw/zinc/37/47/57/778374757.db2.gz KCKHTXLBFNAVRK-MRXNPFEDSA-N 0 3 299.418 2.649 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](OCC)C(C)C ZINC001235279636 778441521 /nfs/dbraw/zinc/44/15/21/778441521.db2.gz FHQSGCWYHUPEJS-HZPDHXFCSA-N 0 3 296.455 2.546 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]1C ZINC001088768299 778484496 /nfs/dbraw/zinc/48/44/96/778484496.db2.gz PSTVYOFUJJNAPD-LFYQSXPISA-N 0 3 276.424 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)[C@H]1C ZINC001088783207 778490454 /nfs/dbraw/zinc/49/04/54/778490454.db2.gz HGFZRNSKOJUOIA-CJNGLKHVSA-N 0 3 298.386 2.740 20 30 CFEDHN CCCCCCCCCCCN1CCN[C@H](C(=O)OC)C1 ZINC001235441545 778492047 /nfs/dbraw/zinc/49/20/47/778492047.db2.gz FZNRVKPIBSGCIK-INIZCTEOSA-N 0 3 298.471 2.964 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H]1C ZINC001088789726 778493281 /nfs/dbraw/zinc/49/32/81/778493281.db2.gz DFHIQHABGJRTSN-YPMHNXCESA-N 0 3 294.420 2.525 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC001088807680 778509521 /nfs/dbraw/zinc/50/95/21/778509521.db2.gz URPWCRHADUVWCK-HIFRSBDPSA-N 0 3 289.423 2.736 20 30 CFEDHN N#CCc1ccccc1CN(CCO)Cc1cccs1 ZINC001235523248 778510370 /nfs/dbraw/zinc/51/03/70/778510370.db2.gz ORTDYJMCXTZAHM-UHFFFAOYSA-N 0 3 286.400 2.809 20 30 CFEDHN C=C[C@H](CCCCCC)OCCN1CCN(C)CC1 ZINC001224550528 778574600 /nfs/dbraw/zinc/57/46/00/778574600.db2.gz WITPCYODTPMISO-MRXNPFEDSA-N 0 3 268.445 2.775 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3cccs3)[C@@H]2C1 ZINC001076233300 778577444 /nfs/dbraw/zinc/57/74/44/778577444.db2.gz YAFZPZDEUPLIHH-HZSPNIEDSA-N 0 3 290.432 2.570 20 30 CFEDHN N#Cc1cc(-c2cnccc2N2CCOCC2)ccc1F ZINC001235894159 778594909 /nfs/dbraw/zinc/59/49/09/778594909.db2.gz FMLPFOMWQFGBLL-UHFFFAOYSA-N 0 3 283.306 2.596 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc4c(c3)CCC4)[C@@H]2C1 ZINC001076554122 778595360 /nfs/dbraw/zinc/59/53/60/778595360.db2.gz FNPBDSUFVYXPAQ-ZWKOTPCHSA-N 0 3 296.414 2.508 20 30 CFEDHN C=C(C)COc1ccccc1CN1CC[C@@H](F)[C@@H](N)C1 ZINC001235907293 778604802 /nfs/dbraw/zinc/60/48/02/778604802.db2.gz WBRAYMALEUXHTO-CABCVRRESA-N 0 3 278.371 2.513 20 30 CFEDHN N=C(N[C@H]1CCc2cc(F)ccc2C1)c1ccc(F)cn1 ZINC001168406404 778857262 /nfs/dbraw/zinc/85/72/62/778857262.db2.gz ZGZVWZPEMGKWED-AWEZNQCLSA-N 0 3 287.313 2.623 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@H]1C ZINC001088876985 778932345 /nfs/dbraw/zinc/93/23/45/778932345.db2.gz SKZPJXJUGCJSBS-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@H]1C ZINC001088912927 778945903 /nfs/dbraw/zinc/94/59/03/778945903.db2.gz YJNNOFHZVSDXLC-SPUZQDLCSA-N 0 3 298.430 2.864 20 30 CFEDHN CC#CCN1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C/C)C2 ZINC001045929009 778963075 /nfs/dbraw/zinc/96/30/75/778963075.db2.gz BUYBTXIPFDACRX-VIHDGPTJSA-N 0 3 288.435 2.681 20 30 CFEDHN CN(c1ccc(C#N)cc1)c1ccc(CN2CCNC2)cc1 ZINC001236843430 778964127 /nfs/dbraw/zinc/96/41/27/778964127.db2.gz IJNXBRPGULKWQO-UHFFFAOYSA-N 0 3 292.386 2.689 20 30 CFEDHN CCN(CCOC)Cc1ccc(C#N)c(Br)c1 ZINC001236856103 778967296 /nfs/dbraw/zinc/96/72/96/778967296.db2.gz PAZKSPGEVNURNQ-UHFFFAOYSA-N 0 3 297.196 2.789 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088990252 778968344 /nfs/dbraw/zinc/96/83/44/778968344.db2.gz MIEOOASPLWXHLV-TUVASFSCSA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089002953 778972421 /nfs/dbraw/zinc/97/24/21/778972421.db2.gz PLGIEHRLTXWRQX-ZBFHGGJFSA-N 0 3 272.392 2.682 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)[C@H]1C ZINC001089012769 778974370 /nfs/dbraw/zinc/97/43/70/778974370.db2.gz MSJJNHXXKZCPJP-MFNRNEDNSA-N 0 3 290.451 2.968 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054379 778982749 /nfs/dbraw/zinc/98/27/49/778982749.db2.gz NHQNIFFGHLBGMS-SOLBZPMBSA-N 0 3 288.435 2.725 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC001089067275 778985568 /nfs/dbraw/zinc/98/55/68/778985568.db2.gz ABLFBIXPCPHYAC-CJNGLKHVSA-N 0 3 290.382 2.925 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)[C@@H](C)CCC)CC1 ZINC001278039204 778992677 /nfs/dbraw/zinc/99/26/77/778992677.db2.gz HCEQROCLKVJSNW-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CCC(=O)N1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC001089093178 778995653 /nfs/dbraw/zinc/99/56/53/778995653.db2.gz QDQIJAWQNZVEQM-KRWDZBQOSA-N 0 3 299.418 2.781 20 30 CFEDHN C#Cc1ccc(CN2CCNC3=CCCC[C@H]32)cc1 ZINC001237226058 779055559 /nfs/dbraw/zinc/05/55/59/779055559.db2.gz UGXVFUNCRQJJJT-QGZVFWFLSA-N 0 3 252.361 2.510 20 30 CFEDHN C=CCCC(=O)N1CC[C@H](CCNCC(=C)Cl)C1 ZINC001272377276 779070777 /nfs/dbraw/zinc/07/07/77/779070777.db2.gz SPOOMPZPVVROCM-ZDUSSCGKSA-N 0 3 270.804 2.533 20 30 CFEDHN C#CCN(C(=O)CCC(C)C)C1CCN(CC(=C)C)CC1 ZINC001278115105 779134923 /nfs/dbraw/zinc/13/49/23/779134923.db2.gz HAYFNUSESNNKHN-UHFFFAOYSA-N 0 3 290.451 2.925 20 30 CFEDHN CC(C)[N@@H+]1CCC[C@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234144373 779141689 /nfs/dbraw/zinc/14/16/89/779141689.db2.gz MTQXKMMHZXJDDD-AWEZNQCLSA-N 0 3 260.337 2.515 20 30 CFEDHN CC(C)[N@H+]1CCC[C@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234144373 779141692 /nfs/dbraw/zinc/14/16/92/779141692.db2.gz MTQXKMMHZXJDDD-AWEZNQCLSA-N 0 3 260.337 2.515 20 30 CFEDHN C#CC[N@@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237683032 779161442 /nfs/dbraw/zinc/16/14/42/779161442.db2.gz VSQQAXAEQYYLSD-UHFFFAOYSA-N 0 3 268.154 2.528 20 30 CFEDHN C#CC[N@H+](C)Cc1cc(Br)c(C)cc1[O-] ZINC001237683032 779161446 /nfs/dbraw/zinc/16/14/46/779161446.db2.gz VSQQAXAEQYYLSD-UHFFFAOYSA-N 0 3 268.154 2.528 20 30 CFEDHN C#CCN1CCC2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)CC1 ZINC001040746777 779185105 /nfs/dbraw/zinc/18/51/05/779185105.db2.gz HXAUTEKAXDDVNZ-OAHLLOKOSA-N 0 3 290.451 2.616 20 30 CFEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ccco1)CC2 ZINC001272579381 779216721 /nfs/dbraw/zinc/21/67/21/779216721.db2.gz ZEWFFYHGEJCDMF-UHFFFAOYSA-N 0 3 288.391 2.670 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)CC(C)(C)C1 ZINC001089317412 779228026 /nfs/dbraw/zinc/22/80/26/779228026.db2.gz UIMSSDZYHFVMTD-HZPDHXFCSA-N 0 3 288.435 2.583 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1Cl ZINC000130336772 779265754 /nfs/dbraw/zinc/26/57/54/779265754.db2.gz AAXFRZZUJNPZGB-JTQLQIEISA-N 0 3 294.738 2.652 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046749710 779345931 /nfs/dbraw/zinc/34/59/31/779345931.db2.gz NNUNTVIASZOIOP-GOEBONIOSA-N 0 3 276.424 2.723 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@H](C)C2CCC2)CC(C)(C)C1 ZINC001089417279 779460730 /nfs/dbraw/zinc/46/07/30/779460730.db2.gz XQHZDGKGSGBDQM-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccccc1Cl ZINC000130608233 779476216 /nfs/dbraw/zinc/47/62/16/779476216.db2.gz KKDBDWBHTGJCOZ-GFCCVEGCSA-N 0 3 292.766 2.506 20 30 CFEDHN C=C[C@@H](C(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC001123923388 779503163 /nfs/dbraw/zinc/50/31/63/779503163.db2.gz BOPJSOJHKYAUNS-JKSUJKDBSA-N 0 3 272.392 2.509 20 30 CFEDHN CCCCCCCOC(=O)N1CCNCC1(C)C ZINC001239334411 779525174 /nfs/dbraw/zinc/52/51/74/779525174.db2.gz ZOLJOHCXBDYMEF-UHFFFAOYSA-N 0 3 256.390 2.777 20 30 CFEDHN CC#CCN1CCC([C@H]2CCCN(C(=O)CCC)C2)CC1 ZINC001047218599 779532104 /nfs/dbraw/zinc/53/21/04/779532104.db2.gz DUIXSCVZUPMWEG-KRWDZBQOSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089701040 779572688 /nfs/dbraw/zinc/57/26/88/779572688.db2.gz IATXJXGHSVXYRF-CABCVRRESA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2scnc2C(C)C)C1 ZINC001032035515 779718196 /nfs/dbraw/zinc/71/81/96/779718196.db2.gz CAQUCYLMLCBUHF-UHFFFAOYSA-N 0 3 293.436 2.504 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2oc3ccccc3c2C)C1 ZINC001032170704 779753046 /nfs/dbraw/zinc/75/30/46/779753046.db2.gz NURAHAFBKGUJKM-UHFFFAOYSA-N 0 3 298.386 2.979 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCC1 ZINC001032257020 779796460 /nfs/dbraw/zinc/79/64/60/779796460.db2.gz FTPZCNOHAAXQGL-HOTGVXAUSA-N 0 3 276.424 2.818 20 30 CFEDHN N#Cc1c(F)cc(-c2ccc3c(n2)CNCC3)cc1F ZINC001239919008 779858319 /nfs/dbraw/zinc/85/83/19/779858319.db2.gz UWOSXCDKOMONED-UHFFFAOYSA-N 0 3 271.270 2.544 20 30 CFEDHN C[C@H]1CCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001127929560 779943595 /nfs/dbraw/zinc/94/35/95/779943595.db2.gz UFCXFLNXTMDIPC-WMLDXEAASA-N 0 3 299.418 2.590 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCC1 ZINC001032471008 779962968 /nfs/dbraw/zinc/96/29/68/779962968.db2.gz KSBVPHQCMLDXQN-BPUTZDHNSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(CC)c1 ZINC001032483221 779975580 /nfs/dbraw/zinc/97/55/80/779975580.db2.gz VMOMLGQUBUJDQY-ROUUACIJSA-N 0 3 298.430 2.653 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032533870 780017255 /nfs/dbraw/zinc/01/72/55/780017255.db2.gz LNTJBVKHJZFSPL-KSWRQPAISA-N 0 3 288.435 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001032578581 780049273 /nfs/dbraw/zinc/04/92/73/780049273.db2.gz OJKQIIBOEFNJAS-KKUMJFAQSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ccc21 ZINC001032642877 780109246 /nfs/dbraw/zinc/10/92/46/780109246.db2.gz HNUFXFPGBRVOHD-KBPBESRZSA-N 0 3 295.386 2.643 20 30 CFEDHN N#Cc1cc(-c2ccccc2C=N[O-])cc(C2C[NH2+]C2)c1 ZINC001240361211 780114189 /nfs/dbraw/zinc/11/41/89/780114189.db2.gz LIJCMMORVJIADO-UHFFFAOYSA-N 0 3 277.327 2.720 20 30 CFEDHN N#CCc1cncc(C2=CCCN(Cc3ccccc3)C2)n1 ZINC001240385986 780129576 /nfs/dbraw/zinc/12/95/76/780129576.db2.gz USDFFJXRSGTPHG-UHFFFAOYSA-N 0 3 290.370 2.832 20 30 CFEDHN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC)c1ccccc1 ZINC001032797722 780249486 /nfs/dbraw/zinc/24/94/86/780249486.db2.gz XUBHQBRDKUQGFT-ULQDDVLXSA-N 0 3 284.403 2.651 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCC2)C12CCC2 ZINC001078523889 780271188 /nfs/dbraw/zinc/27/11/88/780271188.db2.gz OBPQKECCMZFBKD-STQMWFEESA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2(C)CCC2)C12CCC2 ZINC001078700954 780292468 /nfs/dbraw/zinc/29/24/68/780292468.db2.gz UUJRTZYARVPCIT-CHWSQXEVSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccsc1 ZINC001128190255 780358462 /nfs/dbraw/zinc/35/84/62/780358462.db2.gz MPLOTISIEHARHO-UHFFFAOYSA-N 0 3 286.828 2.733 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032870431 780490178 /nfs/dbraw/zinc/49/01/78/780490178.db2.gz QTFZXYSFJZQFCK-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ncoc1C(C)C ZINC001273105653 780597143 /nfs/dbraw/zinc/59/71/43/780597143.db2.gz WUNIYBJLYGNDPK-LLVKDONJSA-N 0 3 299.802 2.649 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033186249 780608950 /nfs/dbraw/zinc/60/89/50/780608950.db2.gz XKQSXQBWBIVVTG-CVEARBPZSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033195713 780609875 /nfs/dbraw/zinc/60/98/75/780609875.db2.gz JTCJZYGGIDRAIQ-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033195715 780610744 /nfs/dbraw/zinc/61/07/44/780610744.db2.gz JTCJZYGGIDRAIQ-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252714 780632657 /nfs/dbraw/zinc/63/26/57/780632657.db2.gz ILXKOAFZMAQHGE-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033275460 780638045 /nfs/dbraw/zinc/63/80/45/780638045.db2.gz NNSXDRPFKGVYOH-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033346216 780662721 /nfs/dbraw/zinc/66/27/21/780662721.db2.gz GILNUNKWQGFQTQ-CQSZACIVSA-N 0 3 289.423 2.861 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033416537 780676320 /nfs/dbraw/zinc/67/63/20/780676320.db2.gz MEPCRALJQKJOBJ-UONOGXRCSA-N 0 3 292.448 2.960 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001033447105 780685588 /nfs/dbraw/zinc/68/55/88/780685588.db2.gz QKXNDPCBBXBHOG-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033476847 780691767 /nfs/dbraw/zinc/69/17/67/780691767.db2.gz CLFYYIXKFQVHFU-OAHLLOKOSA-N 0 3 292.448 2.708 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033481776 780692964 /nfs/dbraw/zinc/69/29/64/780692964.db2.gz BZLPAFYNYWWGMX-KURKYZTESA-N 0 3 298.430 2.899 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033557614 780712824 /nfs/dbraw/zinc/71/28/24/780712824.db2.gz IQBSXILEHQCRTC-GOSISDBHSA-N 0 3 298.430 2.980 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C2CC2)C2CC2)C1 ZINC001033567633 780713042 /nfs/dbraw/zinc/71/30/42/780713042.db2.gz BNNKQQGMFIIYTK-HNNXBMFYSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033614419 780734341 /nfs/dbraw/zinc/73/43/41/780734341.db2.gz SNOXIVIYGOTXDG-MRXNPFEDSA-N 0 3 272.392 2.717 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033694825 780751982 /nfs/dbraw/zinc/75/19/82/780751982.db2.gz TZZSTMOGDFQESG-INIZCTEOSA-N 0 3 290.382 2.879 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728550 780765632 /nfs/dbraw/zinc/76/56/32/780765632.db2.gz UDXOEGMHAFTKCC-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001033742078 780771844 /nfs/dbraw/zinc/77/18/44/780771844.db2.gz HOUMUSPRBFAQOS-ZDUSSCGKSA-N 0 3 295.814 2.781 20 30 CFEDHN C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001033749280 780776422 /nfs/dbraw/zinc/77/64/22/780776422.db2.gz FNCWIQKWIPZDKG-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001033749280 780776428 /nfs/dbraw/zinc/77/64/28/780776428.db2.gz FNCWIQKWIPZDKG-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001033751002 780777000 /nfs/dbraw/zinc/77/70/00/780777000.db2.gz ZNRCGMFSQFNFMA-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)CCC(C)C)C2 ZINC001278328096 780795623 /nfs/dbraw/zinc/79/56/23/780795623.db2.gz UQZQDAWHGMEFCA-GOSISDBHSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033824601 780798291 /nfs/dbraw/zinc/79/82/91/780798291.db2.gz DTAMGJKHIQPQBY-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033872629 780812030 /nfs/dbraw/zinc/81/20/30/780812030.db2.gz NGZODCFWTOAJGA-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033944836 780837551 /nfs/dbraw/zinc/83/75/51/780837551.db2.gz YUYTVFFITPDBJQ-FUHWJXTLSA-N 0 3 298.430 2.825 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033983769 780848604 /nfs/dbraw/zinc/84/86/04/780848604.db2.gz XSXSJNHFLJZEEJ-IXDOHACOSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001034000541 780853421 /nfs/dbraw/zinc/85/34/21/780853421.db2.gz QUBSDGMJMRIRBS-CYBMUJFWSA-N 0 3 293.436 2.646 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022581 780861914 /nfs/dbraw/zinc/86/19/14/780861914.db2.gz DIGGSJRQEWQOHI-KRWDZBQOSA-N 0 3 284.403 2.555 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cccn2CC)C1 ZINC001034039393 780861977 /nfs/dbraw/zinc/86/19/77/780861977.db2.gz IGJWYYMNTZQVEJ-OAHLLOKOSA-N 0 3 289.423 2.621 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CCCC2)C1 ZINC001034070321 780876255 /nfs/dbraw/zinc/87/62/55/780876255.db2.gz WOFIMIPNXZSQPA-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001034095326 780891199 /nfs/dbraw/zinc/89/11/99/780891199.db2.gz LZTRVINDDFDIHQ-ZDUSSCGKSA-N 0 3 295.814 2.829 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034103664 780893809 /nfs/dbraw/zinc/89/38/09/780893809.db2.gz CIWVFVVOITYMPW-LBPRGKRZSA-N 0 3 294.782 2.541 20 30 CFEDHN C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110564 780895568 /nfs/dbraw/zinc/89/55/68/780895568.db2.gz OINCVHLBVIQAOG-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110564 780895575 /nfs/dbraw/zinc/89/55/75/780895575.db2.gz OINCVHLBVIQAOG-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034164832 780913562 /nfs/dbraw/zinc/91/35/62/780913562.db2.gz TVDQUNJNVONNCP-CQSZACIVSA-N 0 3 290.432 2.664 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2csnc2C)C1 ZINC001034171798 780915396 /nfs/dbraw/zinc/91/53/96/780915396.db2.gz ZPROIQLYWMOWKI-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC(=C)C)C2)cc1 ZINC001034340749 780947515 /nfs/dbraw/zinc/94/75/15/780947515.db2.gz QZISXKBQDCWTKP-GOSISDBHSA-N 0 3 296.414 2.828 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034445529 780973816 /nfs/dbraw/zinc/97/38/16/780973816.db2.gz VHJHSZRVIBOQNU-OAHLLOKOSA-N 0 3 290.432 2.664 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001034548028 780996796 /nfs/dbraw/zinc/99/67/96/780996796.db2.gz ZFNLJWKDGXEYPM-MRXNPFEDSA-N 0 3 290.382 2.926 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccc(C)nc1)CC2 ZINC001035653850 781152516 /nfs/dbraw/zinc/15/25/16/781152516.db2.gz BWEWQYLXDUEUFO-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)CC)CC2 ZINC001035655902 781152588 /nfs/dbraw/zinc/15/25/88/781152588.db2.gz UAAOLSPLSBTIDO-AWEZNQCLSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)/C=C/c1ccc[nH]1)CC2 ZINC001035695962 781159175 /nfs/dbraw/zinc/15/91/75/781159175.db2.gz VLWMSTNOWLJRGG-AATRIKPKSA-N 0 3 299.418 2.528 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC13CCC3)CC2 ZINC001035805979 781173328 /nfs/dbraw/zinc/17/33/28/781173328.db2.gz PWPIWGRNUNRLER-OAHLLOKOSA-N 0 3 288.435 2.677 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@]1(C)CC)CC2 ZINC001035826494 781173342 /nfs/dbraw/zinc/17/33/42/781173342.db2.gz GWWSJJYWDWKCOT-NVXWUHKLSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CC)CC2 ZINC001035799916 781173435 /nfs/dbraw/zinc/17/34/35/781173435.db2.gz OTISWZHJECZZFO-HUUCEWRRSA-N 0 3 276.424 2.533 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000709405480 781310871 /nfs/dbraw/zinc/31/08/71/781310871.db2.gz ILTSWEFWTMVVFU-LLVKDONJSA-N 0 3 299.346 2.961 20 30 CFEDHN COc1ccc(CN2CCC[C@H](CF)C2)cc1C#N ZINC000711424457 781431526 /nfs/dbraw/zinc/43/15/26/781431526.db2.gz ZWNRJBSQWIQYBE-CYBMUJFWSA-N 0 3 262.328 2.748 20 30 CFEDHN COc1ccc(-c2cnc(C#N)c(C)c2)cc1CN(C)C ZINC001242359117 781433986 /nfs/dbraw/zinc/43/39/86/781433986.db2.gz YBSSAUTUESGNRT-UHFFFAOYSA-N 0 3 281.359 2.999 20 30 CFEDHN Cc1ccc(C#N)cc1-c1ccc2c(c1)COC21CNC1 ZINC001242544024 781583278 /nfs/dbraw/zinc/58/32/78/781583278.db2.gz BDUWQUYCKYPOPF-UHFFFAOYSA-N 0 3 276.339 2.862 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001079566268 781607909 /nfs/dbraw/zinc/60/79/09/781607909.db2.gz QLALLLVGMWJEEZ-TZMCWYRMSA-N 0 3 280.387 2.797 20 30 CFEDHN N#Cc1cc(F)ccc1-c1cnccc1N1CCOCC1 ZINC001242582044 781615292 /nfs/dbraw/zinc/61/52/92/781615292.db2.gz QJGMPECITPFUQG-UHFFFAOYSA-N 0 3 283.306 2.596 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001079752697 781617867 /nfs/dbraw/zinc/61/78/67/781617867.db2.gz SRIGRNQMWSMJCE-OWCLPIDISA-N 0 3 276.424 2.745 20 30 CFEDHN CN(C)Cc1cncc(-c2ccc(F)cc2C#N)c1 ZINC001242585137 781618638 /nfs/dbraw/zinc/61/86/38/781618638.db2.gz HNZAFVCKWAWFIJ-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001080204962 781639809 /nfs/dbraw/zinc/63/98/09/781639809.db2.gz JHIPSTZSBKCQGJ-UKRRQHHQSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001080898784 781684756 /nfs/dbraw/zinc/68/47/56/781684756.db2.gz PNSBMFMKPOXPAD-IAQYHMDHSA-N 0 3 294.345 2.591 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001081017422 781695772 /nfs/dbraw/zinc/69/57/72/781695772.db2.gz BDTRMYKSJLAZJG-QLFBSQMISA-N 0 3 278.440 2.825 20 30 CFEDHN C[NH+]1CCC(n2cc(-c3ccccc3C=N[O-])cn2)CC1 ZINC001242730601 781726985 /nfs/dbraw/zinc/72/69/85/781726985.db2.gz MRXXBHYNNGXKTF-UHFFFAOYSA-N 0 3 284.363 2.625 20 30 CFEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnc(C)n1C ZINC001119290025 781756403 /nfs/dbraw/zinc/75/64/03/781756403.db2.gz XTCAZYPMVCWNNH-MRXNPFEDSA-N 0 3 284.407 2.791 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001084157002 781774164 /nfs/dbraw/zinc/77/41/64/781774164.db2.gz AYCZTOPVYCZCAI-ZIAGYGMSSA-N 0 3 290.432 2.779 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001084164379 781775779 /nfs/dbraw/zinc/77/57/79/781775779.db2.gz CZPKEGCVPOOOKB-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001084532223 781799306 /nfs/dbraw/zinc/79/93/06/781799306.db2.gz SXRZTXUXBYOEFV-LTIDMASMSA-N 0 3 288.435 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001084821669 781841157 /nfs/dbraw/zinc/84/11/57/781841157.db2.gz KMYIQXZZDDSYTI-QZTJIDSGSA-N 0 3 298.430 2.646 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]21 ZINC001084947801 781866280 /nfs/dbraw/zinc/86/62/80/781866280.db2.gz PFJYLNYHVIOWFC-SOLBZPMBSA-N 0 3 288.435 2.842 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@]34C[C@@H]3CCCC4)C[C@@H]21 ZINC001085026240 781884323 /nfs/dbraw/zinc/88/43/23/781884323.db2.gz FGTSENHERFWEJI-CVYDXHPNSA-N 0 3 288.435 2.676 20 30 CFEDHN C[C@H](C#N)OCCN1CCc2ccsc2[C@@H]1C ZINC000712277778 781887168 /nfs/dbraw/zinc/88/71/68/781887168.db2.gz NPINRVJMNQQQSN-MNOVXSKESA-N 0 3 250.367 2.596 20 30 CFEDHN C[C@@H](C#N)OCCN1CCc2ccsc2[C@H]1C ZINC000712277782 781887522 /nfs/dbraw/zinc/88/75/22/781887522.db2.gz NPINRVJMNQQQSN-WDEREUQCSA-N 0 3 250.367 2.596 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCC1 ZINC001085113705 781918092 /nfs/dbraw/zinc/91/80/92/781918092.db2.gz OLGWXSLNCNDVLQ-CHWSQXEVSA-N 0 3 270.804 2.556 20 30 CFEDHN CC[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@@H](O)C(F)F ZINC000594508805 349435060 /nfs/dbraw/zinc/43/50/60/349435060.db2.gz WNSGODZGVRUHDS-UONOGXRCSA-N 0 3 296.361 2.982 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccccc3NC2=O)C1 ZINC000594511398 349435694 /nfs/dbraw/zinc/43/56/94/349435694.db2.gz MUSBMMWVODRDDZ-XNRPHZJLSA-N 0 3 283.375 2.612 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594519830 349440195 /nfs/dbraw/zinc/44/01/95/349440195.db2.gz LRSMRIFTOXDEID-IAGOWNOFSA-N 0 3 287.382 2.804 20 30 CFEDHN N#CCc1cccc(NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000594609252 349461693 /nfs/dbraw/zinc/46/16/93/349461693.db2.gz HYUFXUMJAYBCLL-SFHVURJKSA-N 0 3 299.418 2.808 20 30 CFEDHN CC[C@H](C)NC(=O)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594920881 349508556 /nfs/dbraw/zinc/50/85/56/349508556.db2.gz BJIBEAVDFOGONL-AWEZNQCLSA-N 0 3 299.418 2.636 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000067704378 346815582 /nfs/dbraw/zinc/81/55/82/346815582.db2.gz CFCNQENCYROWJF-UHFFFAOYSA-N 0 3 290.794 2.932 20 30 CFEDHN COc1ccc(CN2CCC(CCCO)CC2)cc1C#N ZINC000273032742 192026681 /nfs/dbraw/zinc/02/66/81/192026681.db2.gz USKDZXNQGMOMPN-UHFFFAOYSA-N 0 3 288.391 2.551 20 30 CFEDHN N#CC1(c2ccc(CNCCOCC3CC3)cc2)CC1 ZINC000594924331 349510437 /nfs/dbraw/zinc/51/04/37/349510437.db2.gz LQYHSYWLTHVNRM-UHFFFAOYSA-N 0 3 270.376 2.758 20 30 CFEDHN COCC1(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594930699 349514745 /nfs/dbraw/zinc/51/47/45/349514745.db2.gz HGPVAYYUSVNPDS-UHFFFAOYSA-N 0 3 256.349 2.510 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1CC1)C(C)C ZINC000298395816 260153221 /nfs/dbraw/zinc/15/32/21/260153221.db2.gz FWKHNZXYBFRCQB-OAHLLOKOSA-N 0 3 264.413 2.601 20 30 CFEDHN C[C@@H]1CC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594943335 349521991 /nfs/dbraw/zinc/52/19/91/349521991.db2.gz CBIHSYFCKBAKBW-CZUORRHYSA-N 0 3 270.376 2.899 20 30 CFEDHN C[C@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)CO1 ZINC000594947498 349524357 /nfs/dbraw/zinc/52/43/57/349524357.db2.gz FJUQRYGWJLQYSO-SWLSCSKDSA-N 0 3 256.349 2.509 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnc2n1CCC2 ZINC000594948601 349525076 /nfs/dbraw/zinc/52/50/76/349525076.db2.gz AKOHJIZFNSOAJH-KRWDZBQOSA-N 0 3 292.386 2.868 20 30 CFEDHN CC[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CO1 ZINC000594954828 349527383 /nfs/dbraw/zinc/52/73/83/349527383.db2.gz KMCUZYJKUVZTOX-HUUCEWRRSA-N 0 3 256.349 2.704 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1ccc(C#N)cc1 ZINC000594955894 349528438 /nfs/dbraw/zinc/52/84/38/349528438.db2.gz GXNZEJRXNITGDQ-MRXNPFEDSA-N 0 3 258.365 2.853 20 30 CFEDHN N#CC1(c2ccc(CNCC3=CCCOC3)cc2)CC1 ZINC000594959534 349530416 /nfs/dbraw/zinc/53/04/16/349530416.db2.gz WSPZHMATHTWTGN-UHFFFAOYSA-N 0 3 268.360 2.678 20 30 CFEDHN C=CCCSCCNCc1ccnn1C(C)C ZINC000594960181 349530475 /nfs/dbraw/zinc/53/04/75/349530475.db2.gz MLBKXXRCPYTWOJ-UHFFFAOYSA-N 0 3 253.415 2.863 20 30 CFEDHN C=CCCSCCNCc1cc(OC)cc(C)n1 ZINC000594960082 349530592 /nfs/dbraw/zinc/53/05/92/349530592.db2.gz JKEUWFQFKNIZSJ-UHFFFAOYSA-N 0 3 266.410 2.798 20 30 CFEDHN C=CCCSCCNCc1ccc(COC)o1 ZINC000594960561 349530607 /nfs/dbraw/zinc/53/06/07/349530607.db2.gz TUHWRTMISBHSKI-UHFFFAOYSA-N 0 3 255.383 2.825 20 30 CFEDHN Cc1cc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)ccc1C#N ZINC000594964745 349533443 /nfs/dbraw/zinc/53/34/43/349533443.db2.gz FTVQUOWSOQESNO-QINHECLXSA-N 0 3 290.432 2.646 20 30 CFEDHN CC[C@@H](C)CN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083171436 178348881 /nfs/dbraw/zinc/34/88/81/178348881.db2.gz FUIKOYLDRLCUMN-DGCLKSJQSA-N 0 3 291.420 2.703 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cc(C#N)cs1 ZINC000595000688 349543095 /nfs/dbraw/zinc/54/30/95/349543095.db2.gz MAZQNZQTKBGFKX-WBMJQRKESA-N 0 3 286.400 2.874 20 30 CFEDHN C[C@@H](N[C@H]1COC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000595048753 349563931 /nfs/dbraw/zinc/56/39/31/349563931.db2.gz MMXSSHRLBZCXAZ-ZWNOBZJWSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1nccs1 ZINC000595055623 349567290 /nfs/dbraw/zinc/56/72/90/349567290.db2.gz HGWZJKGMZIROTF-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN C=CCCSCCN[C@@H](CC)c1cnn(C)c1 ZINC000595057120 349568318 /nfs/dbraw/zinc/56/83/18/349568318.db2.gz ADKISPYWUJRADX-ZDUSSCGKSA-N 0 3 253.415 2.770 20 30 CFEDHN C=CCCSCCN[C@H](CC)c1nccn1C ZINC000595061035 349571074 /nfs/dbraw/zinc/57/10/74/349571074.db2.gz XGKGEFDCFYIDNK-GFCCVEGCSA-N 0 3 253.415 2.770 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCO[C@H]1CC1(F)F ZINC000595067731 349573159 /nfs/dbraw/zinc/57/31/59/349573159.db2.gz HPPIYOIIMFAAHS-GJZGRUSLSA-N 0 3 292.329 2.949 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)cc1F ZINC000595088948 349577502 /nfs/dbraw/zinc/57/75/02/349577502.db2.gz MRILGIJQZZWPTP-COLVAYQJSA-N 0 3 274.339 2.651 20 30 CFEDHN CC(C)[C@H](Cn1cccn1)NCC1(C#N)CCCCC1 ZINC000595091053 349578331 /nfs/dbraw/zinc/57/83/31/349578331.db2.gz MONASMXFIKXEQV-HNNXBMFYSA-N 0 3 274.412 2.971 20 30 CFEDHN C=CCCSCCNC(=O)Nc1cccc(CN)c1 ZINC000595232433 349585724 /nfs/dbraw/zinc/58/57/24/349585724.db2.gz BQFPJIAGJMTKOF-UHFFFAOYSA-N 0 3 279.409 2.576 20 30 CFEDHN C[C@H]1CC[C@@](C)(CNC(=O)[C@H](N)CCCC#N)C1(C)C ZINC000595257842 349587874 /nfs/dbraw/zinc/58/78/74/349587874.db2.gz YULYHEITICJLJH-ZENOOKHLSA-N 0 3 279.428 2.586 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000595256370 349587918 /nfs/dbraw/zinc/58/79/18/349587918.db2.gz NZRRUXBSPWYIGW-HOTGVXAUSA-N 0 3 291.439 2.826 20 30 CFEDHN N#CC1(CNC(=O)C[C@H](N)c2ccccc2)CCCCC1 ZINC000595258067 349588215 /nfs/dbraw/zinc/58/82/15/349588215.db2.gz HUDNJQDVBGLKBY-HNNXBMFYSA-N 0 3 285.391 2.667 20 30 CFEDHN C[C@H](CNC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000595260316 349589029 /nfs/dbraw/zinc/58/90/29/349589029.db2.gz ZMMKVGANUCCVGE-UKRRQHHQSA-N 0 3 279.428 2.730 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NC1CCC(C2CCC2)CC1 ZINC000595259984 349589154 /nfs/dbraw/zinc/58/91/54/349589154.db2.gz RSBWVFMKMQYCPZ-UYSNPLJNSA-N 0 3 291.439 2.873 20 30 CFEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000068211381 346840079 /nfs/dbraw/zinc/84/00/79/346840079.db2.gz CKLVHXDSIINDJY-RBSFLKMASA-N 0 3 291.439 2.553 20 30 CFEDHN CC(C)C[C@@H]1COCCN1CCc1ccc(C#N)cc1 ZINC000595316385 349600355 /nfs/dbraw/zinc/60/03/55/349600355.db2.gz BZZQSOPWJZUHMH-QGZVFWFLSA-N 0 3 272.392 2.848 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000595293686 349593689 /nfs/dbraw/zinc/59/36/89/349593689.db2.gz DFBJHWYRCVEHBG-CYBMUJFWSA-N 0 3 258.365 2.600 20 30 CFEDHN CCN1C[C@@H](C)N(CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595404792 349616835 /nfs/dbraw/zinc/61/68/35/349616835.db2.gz NRPDVLUULBAVKA-LSDHHAIUSA-N 0 3 271.408 2.515 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000595447598 349629520 /nfs/dbraw/zinc/62/95/20/349629520.db2.gz IQWRGUDHMWFXLI-MGPQQGTHSA-N 0 3 258.365 2.598 20 30 CFEDHN C[C@@H]1C[C@H](N2CCC(C#N)(c3ccccn3)CC2)CCO1 ZINC000595473259 349637550 /nfs/dbraw/zinc/63/75/50/349637550.db2.gz VXCARYUXHGIGEY-HUUCEWRRSA-N 0 3 285.391 2.506 20 30 CFEDHN CC[C@@H](C)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595520564 349649477 /nfs/dbraw/zinc/64/94/77/349649477.db2.gz MQHWVPUFLJUYNW-OAHLLOKOSA-N 0 3 271.408 2.517 20 30 CFEDHN CC[C@H]1COC(C)(C)CN1CCc1ccc(C#N)cc1 ZINC000595559704 349659821 /nfs/dbraw/zinc/65/98/21/349659821.db2.gz UWIXWYCEJMBUKJ-INIZCTEOSA-N 0 3 272.392 2.990 20 30 CFEDHN N#Cc1cccc(OCCN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595566942 349662497 /nfs/dbraw/zinc/66/24/97/349662497.db2.gz PMAPJFIHZWPXIV-HOCLYGCPSA-N 0 3 256.349 2.811 20 30 CFEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000265500671 282181539 /nfs/dbraw/zinc/18/15/39/282181539.db2.gz ICLVIZUREZVMCZ-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN CN(CCN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595618158 349678029 /nfs/dbraw/zinc/67/80/29/349678029.db2.gz XWDOCXHVLLKCQM-HNNXBMFYSA-N 0 3 257.381 2.748 20 30 CFEDHN CC(C)(NC[C@H](O)CC(F)(F)F)c1cccc(C#N)c1 ZINC000595639473 349685820 /nfs/dbraw/zinc/68/58/20/349685820.db2.gz IUCILFDXXBUZNI-GFCCVEGCSA-N 0 3 286.297 2.696 20 30 CFEDHN Cn1c2ccccc2cc(CN2CCC[C@@H](CC#N)C2)c1=O ZINC000595623223 349681036 /nfs/dbraw/zinc/68/10/36/349681036.db2.gz KGLBPAWYTBEORL-AWEZNQCLSA-N 0 3 295.386 2.664 20 30 CFEDHN CC(C)(NCCO[C@@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000595632631 349683813 /nfs/dbraw/zinc/68/38/13/349683813.db2.gz HZWAHHHONNSEFS-CYBMUJFWSA-N 0 3 280.318 2.807 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000595657926 349692494 /nfs/dbraw/zinc/69/24/94/349692494.db2.gz COWGNDFXKLDQMZ-UXLLHSPISA-N 0 3 291.439 2.717 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689199 349701386 /nfs/dbraw/zinc/70/13/86/349701386.db2.gz NPXGBKIFUZMHJZ-XYPHTWIQSA-N 0 3 270.376 2.978 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000595676798 349696759 /nfs/dbraw/zinc/69/67/59/349696759.db2.gz OPGIDERZWRXCBM-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000595676795 349696925 /nfs/dbraw/zinc/69/69/25/349696925.db2.gz OPGIDERZWRXCBM-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@H](C)CO ZINC000595678712 349697929 /nfs/dbraw/zinc/69/79/29/349697929.db2.gz UFWVORMZNBRWBR-CJNGLKHVSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1CCO ZINC000595706926 349712335 /nfs/dbraw/zinc/71/23/35/349712335.db2.gz YVGAHHSFWCXQNI-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN C=C(C)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000273145495 192057576 /nfs/dbraw/zinc/05/75/76/192057576.db2.gz VPKIGSJERKFXES-LBPRGKRZSA-N 0 3 270.170 2.648 20 30 CFEDHN N#CCSCCCN1CCOC(C2CC2)(C2CC2)C1 ZINC000595821762 349742344 /nfs/dbraw/zinc/74/23/44/349742344.db2.gz FRGJDYHOGFXHMH-UHFFFAOYSA-N 0 3 280.437 2.524 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830570 349744857 /nfs/dbraw/zinc/74/48/57/349744857.db2.gz FPCVJRMMRTUXET-GOEBONIOSA-N 0 3 297.402 2.564 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c(Cl)c1 ZINC000595779492 349730941 /nfs/dbraw/zinc/73/09/41/349730941.db2.gz FQQXLWGXUTUEHP-ZIAGYGMSSA-N 0 3 276.767 2.605 20 30 CFEDHN N#CCCOCCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595879881 349759680 /nfs/dbraw/zinc/75/96/80/349759680.db2.gz VZVBIBHPKXJKFD-UHFFFAOYSA-N 0 3 298.386 2.857 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000126156342 187220589 /nfs/dbraw/zinc/22/05/89/187220589.db2.gz KBWDVIYVXCMAMR-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595913336 349767606 /nfs/dbraw/zinc/76/76/06/349767606.db2.gz SCCDJCWHXHRUOJ-LLVKDONJSA-N 0 3 280.393 2.685 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H](C)[C@](C)(CO)C1 ZINC000595869474 349757257 /nfs/dbraw/zinc/75/72/57/349757257.db2.gz DIKOSBCEBZZADI-ZENOOKHLSA-N 0 3 258.365 2.570 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000595991801 349774811 /nfs/dbraw/zinc/77/48/11/349774811.db2.gz LBBBKTCNAOWXBX-ZNMIVQPWSA-N 0 3 277.412 2.579 20 30 CFEDHN CCc1ccc([C@@H](CNc2c(C#N)cnn2C)N(C)C)cc1 ZINC000596053351 349782902 /nfs/dbraw/zinc/78/29/02/349782902.db2.gz FFKBJVGSHZFBRQ-MRXNPFEDSA-N 0 3 297.406 2.569 20 30 CFEDHN Cc1ccc(C#N)nc1N[C@H](C)CN1CCCCC1 ZINC000596078254 349788909 /nfs/dbraw/zinc/78/89/09/349788909.db2.gz UOJWUBLUYKHDON-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2c(C#N)cnn2C)C1 ZINC000596087463 349791110 /nfs/dbraw/zinc/79/11/10/349791110.db2.gz FSWUYQCZPQGLJX-XJKSGUPXSA-N 0 3 295.390 2.539 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1)c1ccco1 ZINC000020122277 282247538 /nfs/dbraw/zinc/24/75/38/282247538.db2.gz SEPCKROCZGJJMP-OAHLLOKOSA-N 0 3 269.348 2.544 20 30 CFEDHN C[C@H]1C[C@H](N(C)c2nc(C#N)c(Cl)s2)CCN1C ZINC000596137800 349804504 /nfs/dbraw/zinc/80/45/04/349804504.db2.gz XEFUZMZCYUSLGA-DTWKUNHWSA-N 0 3 284.816 2.587 20 30 CFEDHN CCc1nc(C(=O)N[C@H]2CCN(C3CCCC3)C2)co1 ZINC000330021304 529704832 /nfs/dbraw/zinc/70/48/32/529704832.db2.gz XOZUYBBGAMNYBN-NSHDSACASA-N 0 3 277.368 2.559 20 30 CFEDHN C[C@H]1C[C@@H](Nc2nc3ncccc3cc2C#N)CN1C1CC1 ZINC000596156687 349811723 /nfs/dbraw/zinc/81/17/23/349811723.db2.gz RGTRMQXDGZIPBE-SMDDNHRTSA-N 0 3 293.374 2.539 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000295014293 199299818 /nfs/dbraw/zinc/29/98/18/199299818.db2.gz MZFYARSQLUKOFR-INIZCTEOSA-N 0 3 274.408 2.696 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc(C#N)c(Cl)s1 ZINC000596230853 349834610 /nfs/dbraw/zinc/83/46/10/349834610.db2.gz COMSHYGPQCRUBR-VHSXEESVSA-N 0 3 296.827 2.731 20 30 CFEDHN CN(CCSc1cc(C#N)cnn1)Cc1ccccc1 ZINC000596215514 349828747 /nfs/dbraw/zinc/82/87/47/349828747.db2.gz VJDWBIGBFHCFOA-UHFFFAOYSA-N 0 3 284.388 2.572 20 30 CFEDHN C=C(C)c1cccc(NC(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000934887508 649848159 /nfs/dbraw/zinc/84/81/59/649848159.db2.gz UNVFEGMZLYSUCL-WFASDCNBSA-N 0 3 273.380 2.934 20 30 CFEDHN Cc1ccnc(N2CCN(C)C3(CCCCC3)C2)c1C#N ZINC000596251678 349841257 /nfs/dbraw/zinc/84/12/57/349841257.db2.gz VYHNIYYRDMCTCP-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1c(C#N)cnc2ccccc21 ZINC000596306557 349858468 /nfs/dbraw/zinc/85/84/68/349858468.db2.gz FXNCRUXWMSVIJY-AWEZNQCLSA-N 0 3 294.402 2.813 20 30 CFEDHN CCC(C)(C)N1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596300006 349856619 /nfs/dbraw/zinc/85/66/19/349856619.db2.gz RSVYBLUCUHUDFB-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN CC(C)N(CCC#N)C(=O)c1cccc(CN(C)C)c1 ZINC000073227372 346965943 /nfs/dbraw/zinc/96/59/43/346965943.db2.gz CJOSPZRLRHBUAO-UHFFFAOYSA-N 0 3 273.380 2.512 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1ccc(F)cc1C#N ZINC000596307383 349858284 /nfs/dbraw/zinc/85/82/84/349858284.db2.gz LOFWXTNHVGZQAN-ZDUSSCGKSA-N 0 3 261.344 2.982 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2nc3ncccc3cc2C#N)C1 ZINC000596336123 349868431 /nfs/dbraw/zinc/86/84/31/349868431.db2.gz MQECOYUYFRYFLO-AWEZNQCLSA-N 0 3 295.390 2.786 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000596337450 349869268 /nfs/dbraw/zinc/86/92/68/349869268.db2.gz XXVLRWPIPGYHIO-LBPRGKRZSA-N 0 3 288.351 2.751 20 30 CFEDHN CNC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000074333877 347010104 /nfs/dbraw/zinc/01/01/04/347010104.db2.gz GJDTZGMWQHNXOS-ZDUSSCGKSA-N 0 3 293.370 2.769 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C[C@@H]1CC ZINC000075022310 347048457 /nfs/dbraw/zinc/04/84/57/347048457.db2.gz MMXDHBPJEGFMNK-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)C[C@H]1CC ZINC000075022309 347048467 /nfs/dbraw/zinc/04/84/67/347048467.db2.gz MMXDHBPJEGFMNK-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN CN1CC=C(CNC(=O)CCC(=O)NC2CCCC2)CC1 ZINC000329219383 530047150 /nfs/dbraw/zinc/04/71/50/530047150.db2.gz SLLFTYRJYVKOPU-UHFFFAOYSA-N 0 3 293.411 2.884 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000344593441 530051519 /nfs/dbraw/zinc/05/15/19/530051519.db2.gz CCAQKHGIZKDXIJ-INIZCTEOSA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)Nc1nc2c(cc1C#N)CCC2 ZINC000596488226 349917231 /nfs/dbraw/zinc/91/72/31/349917231.db2.gz OZJJNSVLLYUYNZ-CQSZACIVSA-N 0 3 298.434 2.974 20 30 CFEDHN CCCN1CC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000596516923 349927524 /nfs/dbraw/zinc/92/75/24/349927524.db2.gz JHYBABWJSXOIFI-LLVKDONJSA-N 0 3 264.760 2.503 20 30 CFEDHN CCCN1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000596517276 349928120 /nfs/dbraw/zinc/92/81/20/349928120.db2.gz LEYVZBQQMYROEP-CYBMUJFWSA-N 0 3 288.351 2.671 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000159535854 232244383 /nfs/dbraw/zinc/24/43/83/232244383.db2.gz JCPVFHXTDTVHMZ-UHFFFAOYSA-N 0 3 299.418 2.861 20 30 CFEDHN CC[C@H](CNc1nccc(C)c1C#N)N1CCCC1 ZINC000273275428 192096505 /nfs/dbraw/zinc/09/65/05/192096505.db2.gz CHMFTWUAMXXLPU-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCCNCc1cc(O)c(OC)cc1Br ZINC000668483121 539523477 /nfs/dbraw/zinc/52/34/77/539523477.db2.gz UZOCMZPAGHRHGS-UHFFFAOYSA-N 0 3 286.169 2.829 20 30 CFEDHN N#Cc1ccc(CNCCOCc2ccccc2)cc1 ZINC000177582068 232365906 /nfs/dbraw/zinc/36/59/06/232365906.db2.gz UUUHGDPESHTDKR-UHFFFAOYSA-N 0 3 266.344 2.865 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(C#N)cc1)N1CCCC[C@H]1C ZINC000032731913 346307491 /nfs/dbraw/zinc/30/74/91/346307491.db2.gz PWEZPTMDAFORRT-KGLIPLIRSA-N 0 3 285.391 2.551 20 30 CFEDHN C#CCOc1ccc(CN2CCC(CF)CC2)cc1 ZINC000295143757 199369805 /nfs/dbraw/zinc/36/98/05/199369805.db2.gz ZZZQRRMTAKJHNG-UHFFFAOYSA-N 0 3 261.340 2.880 20 30 CFEDHN CC1(C)Cc2n[nH]cc2CN(CCc2ccc(C#N)cc2)C1 ZINC000596596501 349951702 /nfs/dbraw/zinc/95/17/02/349951702.db2.gz BLPKDVBHPMNTAO-UHFFFAOYSA-N 0 3 294.402 2.908 20 30 CFEDHN Cc1cc(C)c(C#N)c(NCCN2CCC(C)CC2)n1 ZINC000040444328 346346283 /nfs/dbraw/zinc/34/62/83/346346283.db2.gz FSRQHFTVIICCDK-UHFFFAOYSA-N 0 3 272.396 2.714 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cc(F)cc(F)c2)nc(C)n1 ZINC000041574787 346353217 /nfs/dbraw/zinc/35/32/17/346353217.db2.gz JVTOGYVTQCZXBX-CYBMUJFWSA-N 0 3 287.269 2.862 20 30 CFEDHN C[C@](C#N)(NC(=O)CN(C1CC1)C1CCCCC1)C1CC1 ZINC000047904015 346460053 /nfs/dbraw/zinc/46/00/53/346460053.db2.gz SIEXOVJRTVFDFT-QGZVFWFLSA-N 0 3 289.423 2.592 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(CC#N)c2)nc(C)n1 ZINC000049407994 346483265 /nfs/dbraw/zinc/48/32/65/346483265.db2.gz UKUHWSLKOBVZJI-HNNXBMFYSA-N 0 3 290.326 2.650 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000051401067 346503047 /nfs/dbraw/zinc/50/30/47/346503047.db2.gz UEXVOZNGEDNYPF-UHFFFAOYSA-N 0 3 291.354 2.941 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)COC3)nc(C)n1 ZINC000050205681 346491013 /nfs/dbraw/zinc/49/10/13/346491013.db2.gz QQNJAJVEYWLQQN-OAHLLOKOSA-N 0 3 293.326 2.614 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000054183340 346563249 /nfs/dbraw/zinc/56/32/49/346563249.db2.gz OWMCOSBBLSMIBJ-IAGOWNOFSA-N 0 3 271.408 2.933 20 30 CFEDHN C=CCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000060365032 346663677 /nfs/dbraw/zinc/66/36/77/346663677.db2.gz GFYDICSMICIEKQ-OAHLLOKOSA-N 0 3 270.376 2.964 20 30 CFEDHN CN(CCOc1ccccc1)CCOc1ccccc1C#N ZINC000060463566 346666536 /nfs/dbraw/zinc/66/65/36/346666536.db2.gz LSDDSYSSUMZWHS-UHFFFAOYSA-N 0 3 296.370 2.948 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000057881346 346639839 /nfs/dbraw/zinc/63/98/39/346639839.db2.gz HWWFVJGYUFIHMQ-CYBMUJFWSA-N 0 3 260.381 2.763 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@@H](C)CCC[C@@H]1C ZINC000066531734 346766421 /nfs/dbraw/zinc/76/64/21/346766421.db2.gz FONRAHTTWLWFSG-KBPBESRZSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000066898328 346783418 /nfs/dbraw/zinc/78/34/18/346783418.db2.gz GYHSZALAFJVBRE-WBVHZDCISA-N 0 3 286.419 2.947 20 30 CFEDHN COCC#CCN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000677133410 539556340 /nfs/dbraw/zinc/55/63/40/539556340.db2.gz USWJDTUFTANVDQ-HZPDHXFCSA-N 0 3 257.377 2.823 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000080601173 347368933 /nfs/dbraw/zinc/36/89/33/347368933.db2.gz WHNCWRILUUYVEE-UHFFFAOYSA-N 0 3 290.367 2.751 20 30 CFEDHN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000080642808 347371761 /nfs/dbraw/zinc/37/17/61/347371761.db2.gz WZKVPJOYHYSTHB-ZOBUZTSGSA-N 0 3 293.455 2.797 20 30 CFEDHN CC(C)(C)C1CCC(CN2CCN(CC#N)CC2)CC1 ZINC000080723168 347377825 /nfs/dbraw/zinc/37/78/25/347377825.db2.gz IMNWWJZJAJNHBF-UHFFFAOYSA-N 0 3 277.456 2.980 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080973223 347391373 /nfs/dbraw/zinc/39/13/73/347391373.db2.gz RTAVHTBBIHLRPI-HNNXBMFYSA-N 0 3 266.348 2.661 20 30 CFEDHN CCN(CC)CCSc1c(C#N)nnc2ccccc21 ZINC000081006136 347396103 /nfs/dbraw/zinc/39/61/03/347396103.db2.gz YZJIQWXTAZZDIT-UHFFFAOYSA-N 0 3 286.404 2.935 20 30 CFEDHN CCOC(=O)CCCN[C@H](C)c1cccc(C#N)c1 ZINC000081545079 347425616 /nfs/dbraw/zinc/42/56/16/347425616.db2.gz AITMRPBSQSGVDV-GFCCVEGCSA-N 0 3 260.337 2.552 20 30 CFEDHN CCN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000084408526 347463457 /nfs/dbraw/zinc/46/34/57/347463457.db2.gz HZWVHCWVHOYAMB-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN CCOC(=O)CCN(Cc1cc(C#N)cs1)CC1CC1 ZINC000092532835 347631537 /nfs/dbraw/zinc/63/15/37/347631537.db2.gz JWIKISBCJFGCQB-UHFFFAOYSA-N 0 3 292.404 2.785 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000092767484 347646822 /nfs/dbraw/zinc/64/68/22/347646822.db2.gz QYILKISLVSIEKQ-STQMWFEESA-N 0 3 260.381 2.590 20 30 CFEDHN C=CCc1cc(CN[C@@H](CC)COC)cc(OC)c1O ZINC000120209170 347805811 /nfs/dbraw/zinc/80/58/11/347805811.db2.gz OFYKBLVWQXYFCQ-AWEZNQCLSA-N 0 3 279.380 2.644 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(CC(C)C)cc1 ZINC000120305632 347806456 /nfs/dbraw/zinc/80/64/56/347806456.db2.gz RNDANMJJNYIWRN-CQSZACIVSA-N 0 3 274.408 2.838 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000120305783 347806669 /nfs/dbraw/zinc/80/66/69/347806669.db2.gz RNDANMJJNYIWRN-AWEZNQCLSA-N 0 3 274.408 2.838 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCC(C)(C)C#N)C12CCCC2 ZINC000122259020 347815603 /nfs/dbraw/zinc/81/56/03/347815603.db2.gz DUULAWXQEKOXDE-CHWSQXEVSA-N 0 3 250.386 2.864 20 30 CFEDHN CC(C)OC1CCC(NCc2ccc(C#N)o2)CC1 ZINC000130081250 347867345 /nfs/dbraw/zinc/86/73/45/347867345.db2.gz DZPCOLZJVKXGAK-UHFFFAOYSA-N 0 3 262.353 2.977 20 30 CFEDHN C=CCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000132700000 347886089 /nfs/dbraw/zinc/88/60/89/347886089.db2.gz DAJSTBLSMNATNC-AWEZNQCLSA-N 0 3 288.391 2.560 20 30 CFEDHN C[C@@H](N[C@@H](C)C1CCC1)C(=O)Nc1ccccc1C#N ZINC000157753734 348002671 /nfs/dbraw/zinc/00/26/71/348002671.db2.gz AMCKLCHRQXEHQH-NWDGAFQWSA-N 0 3 271.364 2.663 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000161978551 348026862 /nfs/dbraw/zinc/02/68/62/348026862.db2.gz AJIUSUIWQFTYHR-QGZVFWFLSA-N 0 3 299.418 2.943 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC000172908712 348103706 /nfs/dbraw/zinc/10/37/06/348103706.db2.gz AMLPATJNTAJJMQ-LBPRGKRZSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H]2COC[C@]2(C)C1 ZINC000668594825 539604922 /nfs/dbraw/zinc/60/49/22/539604922.db2.gz HIVPSBMSMZNTPG-WBVHZDCISA-N 0 3 273.376 2.720 20 30 CFEDHN CSCCNCc1cccc(OCCCC#N)c1 ZINC000237505954 348240275 /nfs/dbraw/zinc/24/02/75/348240275.db2.gz JRTWADGZUCGQHY-UHFFFAOYSA-N 0 3 264.394 2.822 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCSC2)cc1Cl ZINC000309561243 348407221 /nfs/dbraw/zinc/40/72/21/348407221.db2.gz JIWQSYNJBDNRDH-NSHDSACASA-N 0 3 252.770 2.807 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000311271228 348412306 /nfs/dbraw/zinc/41/23/06/348412306.db2.gz KWXFHZKIPGTIKI-CJNGLKHVSA-N 0 3 258.365 2.866 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413073593 233013800 /nfs/dbraw/zinc/01/38/00/233013800.db2.gz OPEOVRZUIGRRFQ-VXGBXAGGSA-N 0 3 276.359 2.625 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413073591 233014486 /nfs/dbraw/zinc/01/44/86/233014486.db2.gz OPEOVRZUIGRRFQ-NWDGAFQWSA-N 0 3 276.359 2.625 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1nccc(C)c1C#N ZINC000273374520 192130854 /nfs/dbraw/zinc/13/08/54/192130854.db2.gz SDNNKJNHCMVHKI-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000323548890 348438216 /nfs/dbraw/zinc/43/82/16/348438216.db2.gz AGXJILHTXMITIZ-WBVHZDCISA-N 0 3 299.418 2.517 20 30 CFEDHN C=CCN1CC[C@@H](N2CC(C)(C)CC(C)(C)C2)C1=O ZINC000337212423 348452585 /nfs/dbraw/zinc/45/25/85/348452585.db2.gz VMSCJKSHDBEINE-CYBMUJFWSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ncccc2Cl)CC1 ZINC000339998533 348454841 /nfs/dbraw/zinc/45/48/41/348454841.db2.gz FQXWYAXGCXLJGP-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCCOC2)O1 ZINC000366482543 348512675 /nfs/dbraw/zinc/51/26/75/348512675.db2.gz HOYWAVYMZRWWPZ-HOCLYGCPSA-N 0 3 280.412 2.586 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000383089402 348531248 /nfs/dbraw/zinc/53/12/48/348531248.db2.gz POTWWXXLCIFVCK-RDJZCZTQSA-N 0 3 299.418 2.659 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCCC2)cc1F ZINC000403992257 348589437 /nfs/dbraw/zinc/58/94/37/348589437.db2.gz DZKUTBFSUBEBST-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404358301 348591614 /nfs/dbraw/zinc/59/16/14/348591614.db2.gz MQSZGDBZLLFBAX-FXUDXRNXSA-N 0 3 299.418 2.656 20 30 CFEDHN N#CC1(CNCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000405173361 348596975 /nfs/dbraw/zinc/59/69/75/348596975.db2.gz PPQMTJLUNZFILL-UHFFFAOYSA-N 0 3 273.336 2.811 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@H](O)CC2CCCC2)C1 ZINC000397659244 348562888 /nfs/dbraw/zinc/56/28/88/348562888.db2.gz NLJZRNPBXDTICL-HUUCEWRRSA-N 0 3 250.386 2.553 20 30 CFEDHN COc1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1 ZINC000397709424 348563573 /nfs/dbraw/zinc/56/35/73/348563573.db2.gz URVNAJPKZOEVJU-AWEZNQCLSA-N 0 3 274.364 2.700 20 30 CFEDHN N#CC[C@@H]1CCCN(CCc2ccc3c(c2)CCO3)C1 ZINC000397710301 348563613 /nfs/dbraw/zinc/56/36/13/348563613.db2.gz UXCJREBMTTZBFV-HNNXBMFYSA-N 0 3 270.376 2.790 20 30 CFEDHN COc1ccc(CCN2CCC[C@@H](CC#N)C2)cc1 ZINC000397801796 348564200 /nfs/dbraw/zinc/56/42/00/348564200.db2.gz GDJNFMWEFZZWSI-HNNXBMFYSA-N 0 3 258.365 2.863 20 30 CFEDHN N#CC[C@H]1CCCN(CCOCc2ccccc2)C1 ZINC000397856818 348565098 /nfs/dbraw/zinc/56/50/98/348565098.db2.gz UDEICIAOHMQSBT-OAHLLOKOSA-N 0 3 258.365 2.829 20 30 CFEDHN C=CCOc1ccc(CNC[C@H]2CC[C@@H](C)O2)cc1 ZINC000398140261 348566360 /nfs/dbraw/zinc/56/63/60/348566360.db2.gz ZFMTYVZMMOCFLL-CZUORRHYSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCCC(C)(C)C1 ZINC000446066237 348618248 /nfs/dbraw/zinc/61/82/48/348618248.db2.gz JRHCXQQCMKOSGD-RHSMWYFYSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CCCC1 ZINC000449866100 348619998 /nfs/dbraw/zinc/61/99/98/348619998.db2.gz BUYUYYSWMCANCZ-OAHLLOKOSA-N 0 3 278.440 2.923 20 30 CFEDHN N#CCc1cccc(NC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000455936608 348623653 /nfs/dbraw/zinc/62/36/53/348623653.db2.gz CUTOMPRGMOOZNN-UHFFFAOYSA-N 0 3 298.390 2.501 20 30 CFEDHN CN(C)Cc1ccccc1CNC(=O)CCCCCC#N ZINC000588147426 348772905 /nfs/dbraw/zinc/77/29/05/348772905.db2.gz HEDUDDLFDQYEJE-UHFFFAOYSA-N 0 3 287.407 2.838 20 30 CFEDHN CN(C)[C@H](CNC(=O)CCCCCC#N)c1ccccc1 ZINC000588147361 348772948 /nfs/dbraw/zinc/77/29/48/348772948.db2.gz WYHRTZWCFMITCA-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN CN(C)CCN(Cc1ccco1)C(=O)CCCCCC#N ZINC000588640554 348789807 /nfs/dbraw/zinc/78/98/07/348789807.db2.gz DNCYGBLZHLEHKZ-UHFFFAOYSA-N 0 3 291.395 2.644 20 30 CFEDHN Cc1nsc(NC[C@H](C)N2CCC[C@H](C)C2)c1C#N ZINC000587210549 348761846 /nfs/dbraw/zinc/76/18/46/348761846.db2.gz NXYOOVCNGJZTPF-QWRGUYRKSA-N 0 3 278.425 2.856 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@H](O)C1CC1 ZINC000589198182 348818675 /nfs/dbraw/zinc/81/86/75/348818675.db2.gz PSANQOBFXPXYCU-KRWDZBQOSA-N 0 3 288.391 2.572 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCc3ccccc3C2)n1 ZINC000589313687 348826493 /nfs/dbraw/zinc/82/64/93/348826493.db2.gz MBNZVDGMWUEYGS-LBPRGKRZSA-N 0 3 283.400 2.909 20 30 CFEDHN CN1CCC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589310582 348826613 /nfs/dbraw/zinc/82/66/13/348826613.db2.gz XCYNVGZXISIKRE-ZDUSSCGKSA-N 0 3 297.324 2.761 20 30 CFEDHN CC(C)(C)N1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000589341394 348828521 /nfs/dbraw/zinc/82/85/21/348828521.db2.gz CISNEYAWSUMEQS-GDBMZVCRSA-N 0 3 297.402 2.535 20 30 CFEDHN COCC[C@@H](COC)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589350336 348829449 /nfs/dbraw/zinc/82/94/49/348829449.db2.gz KDNUJQVRHVJBAN-DOTOQJQBSA-N 0 3 288.391 2.577 20 30 CFEDHN CN1CC[C@]2(CCN(c3nc(C(C)(C)C)ccc3C#N)C2)C1 ZINC000589879263 348863129 /nfs/dbraw/zinc/86/31/29/348863129.db2.gz ZYVPFWGAJGVIJZ-SFHVURJKSA-N 0 3 298.434 2.783 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000590173204 348882743 /nfs/dbraw/zinc/88/27/43/348882743.db2.gz PKNKGUJYCBQLCV-INWMFGNUSA-N 0 3 274.339 2.971 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590216071 348885921 /nfs/dbraw/zinc/88/59/21/348885921.db2.gz AFFNSJKEODPWIY-AWEZNQCLSA-N 0 3 299.418 2.926 20 30 CFEDHN N#CCCN1CCN(CC/C=C\c2ccccc2)CC1 ZINC000590709481 348933646 /nfs/dbraw/zinc/93/36/46/348933646.db2.gz UKCDXVBWWGBGFZ-WTKPLQERSA-N 0 3 269.392 2.621 20 30 CFEDHN CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H](O)C(F)F ZINC000590779138 348947973 /nfs/dbraw/zinc/94/79/73/348947973.db2.gz GKTNPSZKFABTBU-RRFJBIMHSA-N 0 3 294.345 2.930 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000590752423 348942680 /nfs/dbraw/zinc/94/26/80/348942680.db2.gz UDAISLVTKUHWHA-CABCVRRESA-N 0 3 291.778 2.623 20 30 CFEDHN N#Cc1cc(CN2CCCc3ccccc3CC2)ccn1 ZINC000590759345 348943939 /nfs/dbraw/zinc/94/39/39/348943939.db2.gz UNRYXNURWRMHEQ-UHFFFAOYSA-N 0 3 277.371 2.944 20 30 CFEDHN N#Cc1csc(CNC2CCC(OC(F)F)CC2)n1 ZINC000590662264 348924918 /nfs/dbraw/zinc/92/49/18/348924918.db2.gz HWCBADZRGSTVRY-UHFFFAOYSA-N 0 3 287.335 2.655 20 30 CFEDHN CCN1C[C@H](CN(C)[C@@H](C)CCC#N)Oc2ccccc21 ZINC000591010426 348977423 /nfs/dbraw/zinc/97/74/23/348977423.db2.gz VPHXLPTYUAWRLD-GJZGRUSLSA-N 0 3 287.407 2.898 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1ncc2c(c1C#N)CCC2 ZINC000591820113 349047394 /nfs/dbraw/zinc/04/73/94/349047394.db2.gz BBEUAJSVECPVPZ-AWEZNQCLSA-N 0 3 284.407 2.728 20 30 CFEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CC1(C#N)CC1 ZINC000591860360 349051686 /nfs/dbraw/zinc/05/16/86/349051686.db2.gz LQBOHBUFFAMZBD-HNNXBMFYSA-N 0 3 297.402 2.590 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CC1(F)F ZINC000591266090 349004967 /nfs/dbraw/zinc/00/49/67/349004967.db2.gz ZSJLZUSGLPZNHI-KWQFWETISA-N 0 3 254.255 2.831 20 30 CFEDHN CC(C)(CCC#N)CNC(=O)Nc1cccc(CN)c1 ZINC000591309919 349006875 /nfs/dbraw/zinc/00/68/75/349006875.db2.gz QQJBCEHCDQROEW-UHFFFAOYSA-N 0 3 274.368 2.597 20 30 CFEDHN CC(C)C[C@@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000591317414 349008422 /nfs/dbraw/zinc/00/84/22/349008422.db2.gz IROSCDQAKDCVLC-HOTGVXAUSA-N 0 3 287.407 2.734 20 30 CFEDHN CO[C@H]1C[C@H]2C[C@H](NCc3ccc(C#N)cc3F)C[C@H]2C1 ZINC000591654053 349037084 /nfs/dbraw/zinc/03/70/84/349037084.db2.gz SKYZNJIXXCAUBM-PLAPLOCASA-N 0 3 288.366 2.991 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000592069447 349078266 /nfs/dbraw/zinc/07/82/66/349078266.db2.gz MXTDAUUTPMUTKR-JKSUJKDBSA-N 0 3 290.451 2.991 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2cc3ccccc3o2)CC1 ZINC000592068428 349078374 /nfs/dbraw/zinc/07/83/74/349078374.db2.gz FFMPGZQIQCXXFM-UHFFFAOYSA-N 0 3 298.386 2.742 20 30 CFEDHN CN(CCCN(C)Cc1ccncc1C#N)Cc1ccco1 ZINC000592122260 349086264 /nfs/dbraw/zinc/08/62/64/349086264.db2.gz KBOJVWBGBVCNAI-UHFFFAOYSA-N 0 3 298.390 2.500 20 30 CFEDHN CC(C)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592147729 349091428 /nfs/dbraw/zinc/09/14/28/349091428.db2.gz NXPCFGKNPOJGKG-INIZCTEOSA-N 0 3 258.365 2.660 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccccc2)[C@@H]1SC ZINC000592172602 349094445 /nfs/dbraw/zinc/09/44/45/349094445.db2.gz GOWMQJWOHPJFKX-OAGGEKHMSA-N 0 3 275.417 2.537 20 30 CFEDHN N#CCCCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000592169173 349094727 /nfs/dbraw/zinc/09/47/27/349094727.db2.gz XBOCTMYVCSCKPR-DLBZAZTESA-N 0 3 272.392 2.748 20 30 CFEDHN CCN(CCOc1ccccc1C#N)CCSC ZINC000592201150 349099885 /nfs/dbraw/zinc/09/98/85/349099885.db2.gz CLRUBXHOQRHFHM-UHFFFAOYSA-N 0 3 264.394 2.622 20 30 CFEDHN CC(C)(C)c1ccc(CCN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592523343 349133941 /nfs/dbraw/zinc/13/39/41/349133941.db2.gz YUDYLKMVCCUNID-SFHVURJKSA-N 0 3 286.419 2.877 20 30 CFEDHN N#Cc1cnn2cc(CN3CCCC[C@@H]3C3CCC3)cnc12 ZINC000592527599 349135454 /nfs/dbraw/zinc/13/54/54/349135454.db2.gz FTEHGMRUZGOEPA-MRXNPFEDSA-N 0 3 295.390 2.756 20 30 CFEDHN CC(C)N(C(=O)[C@@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592870021 349173668 /nfs/dbraw/zinc/17/36/68/349173668.db2.gz BTUCBHHZFACIHY-DOTOQJQBSA-N 0 3 299.418 2.658 20 30 CFEDHN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](CC)CO1 ZINC000593060094 349198269 /nfs/dbraw/zinc/19/82/69/349198269.db2.gz XSWIBWCTMUGMIM-HZPDHXFCSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@H](CO)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000593082843 349205026 /nfs/dbraw/zinc/20/50/26/349205026.db2.gz IOMNHWFKERRUNR-KGLIPLIRSA-N 0 3 272.392 2.960 20 30 CFEDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1CCCC#N ZINC000593091488 349206339 /nfs/dbraw/zinc/20/63/39/349206339.db2.gz KZGHJPMTLJEOKP-ZDUSSCGKSA-N 0 3 266.385 2.876 20 30 CFEDHN CC[C@H](C(=O)N1Cc2cccc(C#N)c2C1)N(CC)CC ZINC000593364473 349253722 /nfs/dbraw/zinc/25/37/22/349253722.db2.gz HAQKUNNNQDCHSP-MRXNPFEDSA-N 0 3 285.391 2.521 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@H](C#N)CC)N(C)C)cc1 ZINC000593390924 349258752 /nfs/dbraw/zinc/25/87/52/349258752.db2.gz HTZZCLNSILTISS-HOCLYGCPSA-N 0 3 287.407 2.518 20 30 CFEDHN CC[C@H](C#N)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000593391221 349258839 /nfs/dbraw/zinc/25/88/39/349258839.db2.gz QBNMFBGCFFZCEL-OAHLLOKOSA-N 0 3 299.418 2.838 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000593403418 349261501 /nfs/dbraw/zinc/26/15/01/349261501.db2.gz NXGBDNAOKBWOHT-MRXNPFEDSA-N 0 3 299.418 2.579 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000593410022 349262703 /nfs/dbraw/zinc/26/27/03/349262703.db2.gz YJTWRGWXLSYHTG-HNNXBMFYSA-N 0 3 299.418 2.625 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000593410094 349262818 /nfs/dbraw/zinc/26/28/18/349262818.db2.gz IIIMZOBEZOIDMU-TZMCWYRMSA-N 0 3 293.436 2.797 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000593475369 349278185 /nfs/dbraw/zinc/27/81/85/349278185.db2.gz QIZQNGKWQZPKIP-GJZGRUSLSA-N 0 3 299.418 2.878 20 30 CFEDHN CC(C)OCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032721 349357209 /nfs/dbraw/zinc/35/72/09/349357209.db2.gz MPDYDYDEVODYJQ-UHFFFAOYSA-N 0 3 258.365 2.952 20 30 CFEDHN CC(C)(CCN1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000593947423 349337880 /nfs/dbraw/zinc/33/78/80/349337880.db2.gz KOYDCMFFCDETCH-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)nc1 ZINC000593969344 349342586 /nfs/dbraw/zinc/34/25/86/349342586.db2.gz DEYCQSSPDIKORZ-LSDHHAIUSA-N 0 3 285.391 2.592 20 30 CFEDHN CC[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)OC ZINC000594035033 349358464 /nfs/dbraw/zinc/35/84/64/349358464.db2.gz JTLLZIOXYLJJOC-HNNXBMFYSA-N 0 3 258.365 2.952 20 30 CFEDHN CC[C@@H](CC#N)NCCCOc1cccc(C#N)c1 ZINC000594008880 349352360 /nfs/dbraw/zinc/35/23/60/349352360.db2.gz GTOGYVVJLCEWJX-AWEZNQCLSA-N 0 3 257.337 2.609 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(CO)CCc3ccccc32)s1 ZINC000593652651 349303905 /nfs/dbraw/zinc/30/39/05/349303905.db2.gz JGZYJFUAIJCLDP-QGZVFWFLSA-N 0 3 298.411 2.586 20 30 CFEDHN CN(CCN1CCCCC1)Cc1ccc(C#N)s1 ZINC000593702335 349313138 /nfs/dbraw/zinc/31/31/38/349313138.db2.gz LPHXQXYDFPWVEZ-UHFFFAOYSA-N 0 3 263.410 2.537 20 30 CFEDHN CC(C)(C)C1=CCN(CCNC(=O)CCCCC#N)CC1 ZINC000594342637 349409563 /nfs/dbraw/zinc/40/95/63/349409563.db2.gz DFSRCNOKBKEWFL-UHFFFAOYSA-N 0 3 291.439 2.865 20 30 CFEDHN Cc1ccccc1C1(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594440159 349422527 /nfs/dbraw/zinc/42/25/27/349422527.db2.gz VENDJIZGUILHMP-INIZCTEOSA-N 0 3 299.418 2.554 20 30 CFEDHN CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594439255 349422546 /nfs/dbraw/zinc/42/25/46/349422546.db2.gz OXDWSQNCLVERJV-KFWWJZLASA-N 0 3 279.428 2.873 20 30 CFEDHN Cc1ccccc1[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594440808 349422676 /nfs/dbraw/zinc/42/26/76/349422676.db2.gz ZSLXJOVOEVBRBP-RDJZCZTQSA-N 0 3 299.418 2.722 20 30 CFEDHN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594438372 349422872 /nfs/dbraw/zinc/42/28/72/349422872.db2.gz UHNKFRYMJZFWIR-XYPHTWIQSA-N 0 3 299.418 2.837 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594443472 349423567 /nfs/dbraw/zinc/42/35/67/349423567.db2.gz IEIAPJGZOHSXOS-DZKIICNBSA-N 0 3 287.407 2.706 20 30 CFEDHN Cc1ccc(C)c(CN(C)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594443359 349423890 /nfs/dbraw/zinc/42/38/90/349423890.db2.gz ONTMYHSSBWQDQN-INIZCTEOSA-N 0 3 287.407 2.673 20 30 CFEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1cccc(F)c1 ZINC000594446100 349424414 /nfs/dbraw/zinc/42/44/14/349424414.db2.gz PXRUXXUTLVAGEI-AWEZNQCLSA-N 0 3 291.370 2.588 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000594450206 349425472 /nfs/dbraw/zinc/42/54/72/349425472.db2.gz UHUNAZODHKKAGT-LSDHHAIUSA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@H]1CN(C(=O)[C@H](N)CCCCC#N)CCc2ccccc21 ZINC000594451713 349425685 /nfs/dbraw/zinc/42/56/85/349425685.db2.gz BTQXLEGULBBFCO-WMLDXEAASA-N 0 3 299.418 2.586 20 30 CFEDHN Cc1ccc(C2(NC(=O)[C@H](N)CCCCC#N)CCC2)cc1 ZINC000594449028 349425760 /nfs/dbraw/zinc/42/57/60/349425760.db2.gz CKNRAVHGFRCLTR-MRXNPFEDSA-N 0 3 299.418 2.902 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000596972122 350009647 /nfs/dbraw/zinc/00/96/47/350009647.db2.gz SGPCSTRCMBOETG-RDJZCZTQSA-N 0 3 299.418 2.707 20 30 CFEDHN COC1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596978499 350011747 /nfs/dbraw/zinc/01/17/47/350011747.db2.gz ADGZRICIZGNRAE-UHFFFAOYSA-N 0 3 270.376 2.853 20 30 CFEDHN C=CC[C@H](CC)NCc1cc(C)c(C(=O)OC)o1 ZINC000597122010 350032747 /nfs/dbraw/zinc/03/27/47/350032747.db2.gz QOMNFXYHMSEIPE-NSHDSACASA-N 0 3 251.326 2.819 20 30 CFEDHN CN(CCc1cnccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080806 350025850 /nfs/dbraw/zinc/02/58/50/350025850.db2.gz NZEOFERYCKCUGG-UHFFFAOYSA-N 0 3 292.386 2.706 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CN1C ZINC000597090004 350029076 /nfs/dbraw/zinc/02/90/76/350029076.db2.gz ZNBQIJGXKBHPKM-GJZGRUSLSA-N 0 3 283.419 2.766 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000594426183 349417505 /nfs/dbraw/zinc/41/75/05/349417505.db2.gz NTKMLZQSXOLYIR-OAHLLOKOSA-N 0 3 271.364 2.525 20 30 CFEDHN Cc1cccc(NC(=O)[C@H](N)CCCCC#N)c1C ZINC000594425679 349417550 /nfs/dbraw/zinc/41/75/50/349417550.db2.gz LXBORVBORULKIO-CYBMUJFWSA-N 0 3 259.353 2.653 20 30 CFEDHN Cc1cc2cc(NC(=O)[C@H](N)CCCCC#N)ccc2[nH]1 ZINC000594427826 349418833 /nfs/dbraw/zinc/41/88/33/349418833.db2.gz JYKJQBGZHWRHNV-CQSZACIVSA-N 0 3 284.363 2.826 20 30 CFEDHN CCC1CCC(CNC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594427346 349418837 /nfs/dbraw/zinc/41/88/37/349418837.db2.gz IAOCLQGXYNXBBS-NRXISQOPSA-N 0 3 279.428 2.730 20 30 CFEDHN CC(C)Oc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594429642 349419396 /nfs/dbraw/zinc/41/93/96/349419396.db2.gz VDCGUDFNUJJRAE-CYBMUJFWSA-N 0 3 289.379 2.824 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000594428761 349419458 /nfs/dbraw/zinc/41/94/58/349419458.db2.gz NYERUFNLXKCZCZ-JKSUJKDBSA-N 0 3 291.439 2.969 20 30 CFEDHN Cc1cc(C)c(CNC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594429136 349419559 /nfs/dbraw/zinc/41/95/59/349419559.db2.gz RABGHQGVQRHICX-MRXNPFEDSA-N 0 3 287.407 2.639 20 30 CFEDHN CCOc1cc(C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594428625 349420072 /nfs/dbraw/zinc/42/00/72/349420072.db2.gz NHPDNFVOLPBPFR-ZDUSSCGKSA-N 0 3 289.379 2.744 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC2(C1)CCCCC2 ZINC000594432647 349420455 /nfs/dbraw/zinc/42/04/55/349420455.db2.gz FVZSNHPEDKYWPB-AWEZNQCLSA-N 0 3 277.412 2.580 20 30 CFEDHN CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594434989 349421448 /nfs/dbraw/zinc/42/14/48/349421448.db2.gz YFXGMISOUGGYJG-KFWWJZLASA-N 0 3 279.428 2.729 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594434656 349421647 /nfs/dbraw/zinc/42/16/47/349421647.db2.gz QUUREHWDBXOTFC-GZBFAFLISA-N 0 3 279.428 2.823 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000594434839 349421788 /nfs/dbraw/zinc/42/17/88/349421788.db2.gz UYBZIZFGUGWDGW-ILXRZTDVSA-N 0 3 279.428 2.730 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000597187990 350047736 /nfs/dbraw/zinc/04/77/36/350047736.db2.gz WALYZSVYBYWPKM-ZDUSSCGKSA-N 0 3 276.380 2.600 20 30 CFEDHN C[C@H](NC(=O)CC1(C#N)CCCCC1)C1=CCN(C)CC1 ZINC000597489685 350103270 /nfs/dbraw/zinc/10/32/70/350103270.db2.gz ZMCMDDLANJIPSN-AWEZNQCLSA-N 0 3 289.423 2.617 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2ccc(C#N)cc2F)[C@@H](C)O1 ZINC000414511235 233276578 /nfs/dbraw/zinc/27/65/78/233276578.db2.gz GNJZDBAQBSPGGS-GYSYKLTISA-N 0 3 262.328 2.600 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000090883463 180052590 /nfs/dbraw/zinc/05/25/90/180052590.db2.gz NRHWEGPTYSVCGW-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)[C@H](C)CC#N ZINC000597687238 350123594 /nfs/dbraw/zinc/12/35/94/350123594.db2.gz NIKBUFXCOQGTLD-LLVKDONJSA-N 0 3 274.368 2.592 20 30 CFEDHN Cc1cc(NC(=O)[C@H](C)CC#N)ccc1CN(C)C ZINC000597762576 350133396 /nfs/dbraw/zinc/13/33/96/350133396.db2.gz AZPNNQPYCXETAG-LLVKDONJSA-N 0 3 259.353 2.545 20 30 CFEDHN COc1ccc2c(c1)OC[C@@H](NCc1ccc(C#N)cc1)C2 ZINC000271301762 191060133 /nfs/dbraw/zinc/06/01/33/191060133.db2.gz OSQFJKIFCGFILT-INIZCTEOSA-N 0 3 294.354 2.660 20 30 CFEDHN C[C@@H](C#N)N(C(=O)C[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000598136587 350207997 /nfs/dbraw/zinc/20/79/97/350207997.db2.gz HVGBJJGLOCSXOQ-BBRMVZONSA-N 0 3 285.391 2.582 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000598252827 350225159 /nfs/dbraw/zinc/22/51/59/350225159.db2.gz XWLWDEPAGKGLBY-LLVKDONJSA-N 0 3 260.312 2.724 20 30 CFEDHN C=CCN(C[C@H](O)Cn1cnc2cc(C)c(C)cc21)C1CC1 ZINC000271351693 191090401 /nfs/dbraw/zinc/09/04/01/191090401.db2.gz DFVWJDKXYPYWRW-INIZCTEOSA-N 0 3 299.418 2.664 20 30 CFEDHN CC(C)[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CCN1 ZINC000598574573 350284838 /nfs/dbraw/zinc/28/48/38/350284838.db2.gz RUGYHCJQTGWARR-SJORKVTESA-N 0 3 299.418 2.530 20 30 CFEDHN COCC#CCN1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000677817726 539790703 /nfs/dbraw/zinc/79/07/03/539790703.db2.gz QJLOEOIXLHHYSH-KRWDZBQOSA-N 0 3 287.403 2.600 20 30 CFEDHN C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000598415334 350263549 /nfs/dbraw/zinc/26/35/49/350263549.db2.gz OHBBGMQYTSVOTJ-WBVHZDCISA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccco2)CC1 ZINC000598626149 350296294 /nfs/dbraw/zinc/29/62/94/350296294.db2.gz ZPAVUXFUFGWQHR-AWEZNQCLSA-N 0 3 276.380 2.760 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC(C)(C)CC[C@@H]1CO ZINC000598645929 350300779 /nfs/dbraw/zinc/30/07/79/350300779.db2.gz AIVFPVXLDWIXBI-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN CSc1ccc(F)cc1CNC[C@H](O)CC(C)(C)C#N ZINC000598717956 350316653 /nfs/dbraw/zinc/31/66/53/350316653.db2.gz AEJHJAIYXYYROC-CYBMUJFWSA-N 0 3 296.411 2.938 20 30 CFEDHN COc1cc(Cl)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598717955 350316675 /nfs/dbraw/zinc/31/66/75/350316675.db2.gz AATJTZUSYNAJQQ-ZDUSSCGKSA-N 0 3 296.798 2.739 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1COc2ccc(Cl)cc21 ZINC000598726133 350320553 /nfs/dbraw/zinc/32/05/53/350320553.db2.gz RMXOUICGPYXQGG-DGCLKSJQSA-N 0 3 294.782 2.664 20 30 CFEDHN CSc1cccc(F)c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598728803 350321160 /nfs/dbraw/zinc/32/11/60/350321160.db2.gz VWOLRYXNFITSNC-NSHDSACASA-N 0 3 296.411 2.938 20 30 CFEDHN Cc1ccccc1OCCN(C)C[C@H](O)CC(C)(C)C#N ZINC000598585001 350286246 /nfs/dbraw/zinc/28/62/46/350286246.db2.gz NBUPKMOYQKVALJ-OAHLLOKOSA-N 0 3 290.407 2.606 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(OC2CCCC2)CC1 ZINC000598589791 350287038 /nfs/dbraw/zinc/28/70/38/350287038.db2.gz JOOFFKPFKWIQDR-CQSZACIVSA-N 0 3 294.439 2.711 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000598594749 350289186 /nfs/dbraw/zinc/28/91/86/350289186.db2.gz IXISNJVJJGKRMX-NSHDSACASA-N 0 3 278.318 2.561 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000598602862 350292095 /nfs/dbraw/zinc/29/20/95/350292095.db2.gz CHZOYUOTSLDWGM-OAHLLOKOSA-N 0 3 284.403 2.835 20 30 CFEDHN COc1ccc(C2(NC[C@@H](O)CC(C)(C)C#N)CC2)cc1 ZINC000598603660 350292134 /nfs/dbraw/zinc/29/21/34/350292134.db2.gz YEKCBNFUHGZMIU-AWEZNQCLSA-N 0 3 288.391 2.575 20 30 CFEDHN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598611161 350293885 /nfs/dbraw/zinc/29/38/85/350293885.db2.gz GGTLGNDBUUSVSH-VXGBXAGGSA-N 0 3 281.425 2.793 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](c2ccncc2)C1 ZINC000598617057 350294533 /nfs/dbraw/zinc/29/45/33/350294533.db2.gz PEQULQAJTURDCV-JKSUJKDBSA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000598894902 350345672 /nfs/dbraw/zinc/34/56/72/350345672.db2.gz IHIFDTBEABXWAU-RDTXWAMCSA-N 0 3 294.402 2.734 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000598807852 350331706 /nfs/dbraw/zinc/33/17/06/350331706.db2.gz NNDBEUIIKRRKBS-ZFWWWQNUSA-N 0 3 283.375 2.547 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CO[C@H](C3CC3)C1)CC2 ZINC000599085293 350373141 /nfs/dbraw/zinc/37/31/41/350373141.db2.gz OSFHSGHNWJHXCW-OIISXLGYSA-N 0 3 268.360 2.703 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000599151991 350385817 /nfs/dbraw/zinc/38/58/17/350385817.db2.gz AXYLGCONLPTYHI-SOUVJXGZSA-N 0 3 293.455 2.799 20 30 CFEDHN CS[C@H]1CCCCN(Cc2ccc(C#N)o2)C1 ZINC000092064175 180316929 /nfs/dbraw/zinc/31/69/29/180316929.db2.gz HDCCIBJDGWERSW-ZDUSSCGKSA-N 0 3 250.367 2.869 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CC2CC(C)(C)C2)CC1 ZINC000599337261 350417106 /nfs/dbraw/zinc/41/71/06/350417106.db2.gz SSZKMTBXTVCQKR-HNNXBMFYSA-N 0 3 263.429 2.588 20 30 CFEDHN CCO[C@H](CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000599357738 350422145 /nfs/dbraw/zinc/42/21/45/350422145.db2.gz XHPIXCSRHULQKX-MRXNPFEDSA-N 0 3 270.376 2.952 20 30 CFEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1nc(C)cs1 ZINC000599360234 350423796 /nfs/dbraw/zinc/42/37/96/350423796.db2.gz UWUDLNZDORJJQR-NWDGAFQWSA-N 0 3 279.409 2.547 20 30 CFEDHN C[C@@H]1C[C@@H]1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000599366172 350424512 /nfs/dbraw/zinc/42/45/12/350424512.db2.gz LHDGAEKQNDNPJU-FRFSOERESA-N 0 3 287.382 2.664 20 30 CFEDHN Cc1ccc(CN(C)C[C@@H]2CCCC[C@@H]2O)cc1C#N ZINC000599366118 350424839 /nfs/dbraw/zinc/42/48/39/350424839.db2.gz KNNSZXPVTMOJAR-RDJZCZTQSA-N 0 3 272.392 2.850 20 30 CFEDHN Cc1ccc(CN2CCC[C@](C)(O)CC2)cc1C#N ZINC000599391443 350429878 /nfs/dbraw/zinc/42/98/78/350429878.db2.gz JNUWCTRIRUHJHR-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN CC[C@H]1CN(Cc2ccc(C)c(C#N)c2)CCCO1 ZINC000599396781 350431067 /nfs/dbraw/zinc/43/10/67/350431067.db2.gz KGMXGLXXAMSRPU-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)C[C@@H](C)C1(F)F ZINC000599516184 350449421 /nfs/dbraw/zinc/44/94/21/350449421.db2.gz XJBRQCMAOWFTTJ-IJLUTSLNSA-N 0 3 274.355 2.510 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000599526226 350450439 /nfs/dbraw/zinc/45/04/39/350450439.db2.gz HYJFNYZDMHSJDS-NSHDSACASA-N 0 3 265.378 2.933 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)C[C@H](C)C1CCCCC1 ZINC000599633169 350468694 /nfs/dbraw/zinc/46/86/94/350468694.db2.gz MUGNGIZBRHGACL-HNNXBMFYSA-N 0 3 293.455 2.897 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N(C)C[C@@H](C)C1CCCCC1 ZINC000599632983 350469009 /nfs/dbraw/zinc/46/90/09/350469009.db2.gz INWVMECDNBQZAB-HUUCEWRRSA-N 0 3 293.455 2.895 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000599650531 350472881 /nfs/dbraw/zinc/47/28/81/350472881.db2.gz HDJYLEKAXOVHFL-GVDBMIGSSA-N 0 3 298.386 2.722 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000599649221 350473429 /nfs/dbraw/zinc/47/34/29/350473429.db2.gz CBOYZWIBEFAPJZ-BRWVUGGUSA-N 0 3 298.386 2.722 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CC2)CC1 ZINC000599673326 350479102 /nfs/dbraw/zinc/47/91/02/350479102.db2.gz OSBXULMGJJPUHL-GDBMZVCRSA-N 0 3 291.439 2.695 20 30 CFEDHN CO[C@@H](CN1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599678964 350480857 /nfs/dbraw/zinc/48/08/57/350480857.db2.gz UQBBGQSJDUTMLB-KRWDZBQOSA-N 0 3 270.376 2.536 20 30 CFEDHN CO[C@H](CN1CCc2c(CC#N)cccc2C1)C1CCC1 ZINC000599679132 350481066 /nfs/dbraw/zinc/48/10/66/350481066.db2.gz WKVBODAQZQXFEJ-GOSISDBHSA-N 0 3 284.403 2.926 20 30 CFEDHN CC#CCN1CCC(OCc2ccccc2OC)CC1 ZINC000092423260 180383083 /nfs/dbraw/zinc/38/30/83/180383083.db2.gz LYBUEALAQMNKQO-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN C=C(C)CN(C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600134975 350516797 /nfs/dbraw/zinc/51/67/97/350516797.db2.gz AARUDYMPLMHHDL-UHFFFAOYSA-N 0 3 264.369 2.816 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600228946 350543822 /nfs/dbraw/zinc/54/38/22/350543822.db2.gz IBSSXZKGRHTQLY-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1c(CNC[C@@H](O)CC2(C#N)CC2)oc2ccccc12 ZINC000600725811 350602287 /nfs/dbraw/zinc/60/22/87/350602287.db2.gz KFJSYNYLBGLEKD-ZDUSSCGKSA-N 0 3 284.359 2.886 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2ccc(C(F)F)cc2)CC1 ZINC000600733927 350603472 /nfs/dbraw/zinc/60/34/72/350603472.db2.gz GSOMQCOPBPDLLZ-ZDUSSCGKSA-N 0 3 280.318 2.769 20 30 CFEDHN Cc1ncsc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000600847945 350619505 /nfs/dbraw/zinc/61/95/05/350619505.db2.gz ACJYZECWBGVAJI-LLVKDONJSA-N 0 3 279.409 2.640 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@@H](C)O1 ZINC000600859781 350619798 /nfs/dbraw/zinc/61/97/98/350619798.db2.gz LWKZEFIDXNZKCI-IOASZLSFSA-N 0 3 270.376 2.897 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)c2ccccc2CN1 ZINC000600770190 350607819 /nfs/dbraw/zinc/60/78/19/350607819.db2.gz WHBCHBZMUUTNCQ-GFCCVEGCSA-N 0 3 267.332 2.650 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)o2)c2cc(F)ccc2CN1 ZINC000600770435 350608422 /nfs/dbraw/zinc/60/84/22/350608422.db2.gz ZDZGTFTWJPGYBN-NSHDSACASA-N 0 3 285.322 2.789 20 30 CFEDHN C[C@@H](C[C@@H](O)c1ccccc1)NCc1ccc(C#N)o1 ZINC000129943196 187461549 /nfs/dbraw/zinc/46/15/49/187461549.db2.gz QTOMBWQBOUBYNV-BLLLJJGKSA-N 0 3 270.332 2.753 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000601160209 350685048 /nfs/dbraw/zinc/68/50/48/350685048.db2.gz UUWWGDXWITWHFG-MRXNPFEDSA-N 0 3 295.386 2.824 20 30 CFEDHN Cc1cc(C#N)cc(N(CCN(C)C)C2CCCC2)n1 ZINC000601159663 350685241 /nfs/dbraw/zinc/68/52/41/350685241.db2.gz LCYGFXCNXWZJSX-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000601298221 350719146 /nfs/dbraw/zinc/71/91/46/350719146.db2.gz FITBQIMZCJJUMN-LMCGPQHNSA-N 0 3 262.328 2.914 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc3c2CCOC3)C1 ZINC000601304007 350719743 /nfs/dbraw/zinc/71/97/43/350719743.db2.gz KDVSEEPQEGBLDB-DOMZBBRYSA-N 0 3 256.349 2.541 20 30 CFEDHN CC(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000601301143 350719769 /nfs/dbraw/zinc/71/97/69/350719769.db2.gz RZRNRMIVKLFNIU-WYUUTHIRSA-N 0 3 278.318 2.606 20 30 CFEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@@H](O)C(F)(F)F ZINC000601301113 350719891 /nfs/dbraw/zinc/71/98/91/350719891.db2.gz RDWKGJAIAFVZGX-QCZZGDTMSA-N 0 3 298.308 2.837 20 30 CFEDHN C[C@@H](CCc1cccc(F)c1)N1CCN(CCC#N)CC1 ZINC000601315648 350722520 /nfs/dbraw/zinc/72/25/20/350722520.db2.gz MZQNOCDEJUJRBF-HNNXBMFYSA-N 0 3 289.398 2.678 20 30 CFEDHN CNCc1ccccc1NC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000601566553 350741158 /nfs/dbraw/zinc/74/11/58/350741158.db2.gz OLKXLWBOAGOYIX-DOMZBBRYSA-N 0 3 286.379 2.562 20 30 CFEDHN CNCc1ccccc1NC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000601566559 350741231 /nfs/dbraw/zinc/74/12/31/350741231.db2.gz OLKXLWBOAGOYIX-WFASDCNBSA-N 0 3 286.379 2.562 20 30 CFEDHN CC(C(=O)Nc1cc(F)cc(C#N)c1)C(F)(F)F ZINC000601713110 350767457 /nfs/dbraw/zinc/76/74/57/350767457.db2.gz BNFDVCFPXBPJJG-LURJTMIESA-N 0 3 260.190 2.834 20 30 CFEDHN CC1(F)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000601868295 350794367 /nfs/dbraw/zinc/79/43/67/350794367.db2.gz JDKUKEMKGZINMZ-HNNXBMFYSA-N 0 3 299.349 2.591 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H]1CCOC2(CCC2)C1 ZINC000602013026 350831542 /nfs/dbraw/zinc/83/15/42/350831542.db2.gz SOKOHSZPQMXFAG-ZDUSSCGKSA-N 0 3 274.339 2.889 20 30 CFEDHN CC[C@@H](C[C@H](C)CO)NCc1cccc(F)c1C#N ZINC000602015199 350832332 /nfs/dbraw/zinc/83/23/32/350832332.db2.gz ZGVKOLNKBBWKBE-AAEUAGOBSA-N 0 3 264.344 2.584 20 30 CFEDHN CCOC1CC(CCNCc2cccc(F)c2C#N)C1 ZINC000602017025 350832910 /nfs/dbraw/zinc/83/29/10/350832910.db2.gz KYEOJJSPNMPREF-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN CO[C@H](CCNCc1cccc(F)c1C#N)C(F)(F)F ZINC000602017087 350833194 /nfs/dbraw/zinc/83/31/94/350833194.db2.gz MFURAURAHYXSQD-GFCCVEGCSA-N 0 3 290.260 2.754 20 30 CFEDHN CC(C)(CO)CCCNCc1cccc(F)c1C#N ZINC000602004034 350828287 /nfs/dbraw/zinc/82/82/87/350828287.db2.gz DNYXBGXCQINRIS-UHFFFAOYSA-N 0 3 264.344 2.586 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000602596549 350939720 /nfs/dbraw/zinc/93/97/20/350939720.db2.gz PWFWAURRBJDRJE-ZXYWRSMDSA-N 0 3 278.421 2.636 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602500294 350906127 /nfs/dbraw/zinc/90/61/27/350906127.db2.gz YIPGEGVNMUFGGT-ZDUSSCGKSA-N 0 3 251.333 2.847 20 30 CFEDHN Cc1ccc([C@@H](CNCc2cccc(C#N)n2)N(C)C)cc1 ZINC000602524947 350914147 /nfs/dbraw/zinc/91/41/47/350914147.db2.gz PAPGTSUFKHTVBI-GOSISDBHSA-N 0 3 294.402 2.654 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)n2)C12CCCC2 ZINC000602562060 350925273 /nfs/dbraw/zinc/92/52/73/350925273.db2.gz VONZMBCMIQJXKD-HOTGVXAUSA-N 0 3 285.391 2.781 20 30 CFEDHN Cc1nc(C)c(CN[C@@H](C)CC2(C#N)CCOCC2)s1 ZINC000602566208 350926593 /nfs/dbraw/zinc/92/65/93/350926593.db2.gz JNJJEFMCISVPLO-NSHDSACASA-N 0 3 293.436 2.949 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000602569301 350928437 /nfs/dbraw/zinc/92/84/37/350928437.db2.gz PGXQBZCCXQVDOI-KSZLIROESA-N 0 3 275.355 2.629 20 30 CFEDHN C[C@H](CCC#N)CNCc1cccnc1OCC(F)F ZINC000602581963 350933981 /nfs/dbraw/zinc/93/39/81/350933981.db2.gz UULANWZHRYCJEG-LLVKDONJSA-N 0 3 283.322 2.755 20 30 CFEDHN CC(C)C[C@@H]1C[C@H](NCc2cccc(C#N)n2)CCO1 ZINC000602585393 350935305 /nfs/dbraw/zinc/93/53/05/350935305.db2.gz PLYXFRWYLKOIRY-CZUORRHYSA-N 0 3 273.380 2.637 20 30 CFEDHN N#CCCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000602603393 350941590 /nfs/dbraw/zinc/94/15/90/350941590.db2.gz ABNOOAVTZOTUSL-UHFFFAOYSA-N 0 3 261.275 2.906 20 30 CFEDHN CC(C)c1ccc([C@H](N)CNC(=O)C2(C#N)CCC2)cc1 ZINC000602427400 350878287 /nfs/dbraw/zinc/87/82/87/350878287.db2.gz GQPYGMKBYQGITF-OAHLLOKOSA-N 0 3 285.391 2.620 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(c2ccccc2C#N)CC1 ZINC000602439108 350882853 /nfs/dbraw/zinc/88/28/53/350882853.db2.gz XZVKOYFJXXSTIK-HNNXBMFYSA-N 0 3 282.391 2.620 20 30 CFEDHN CC[C@](C)(CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444035 350886164 /nfs/dbraw/zinc/88/61/64/350886164.db2.gz JBOZCCPIQVHHRK-QGZVFWFLSA-N 0 3 290.407 2.822 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602469968 350893369 /nfs/dbraw/zinc/89/33/69/350893369.db2.gz BONIPRJDSHOMAV-GJZGRUSLSA-N 0 3 273.380 2.589 20 30 CFEDHN CCCN(Cc1cccc(C#N)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000602475792 350897375 /nfs/dbraw/zinc/89/73/75/350897375.db2.gz ZLZDNYFUSUGMKF-BBWFWOEESA-N 0 3 299.418 2.979 20 30 CFEDHN C=CCCCN(C)Cc1cc(C(=O)OC)cs1 ZINC000602475393 350897386 /nfs/dbraw/zinc/89/73/86/350897386.db2.gz VSNCXCWVYPUIPB-UHFFFAOYSA-N 0 3 253.367 2.933 20 30 CFEDHN CCCN(Cc1cccc(C#N)n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000602475794 350897677 /nfs/dbraw/zinc/89/76/77/350897677.db2.gz ZLZDNYFUSUGMKF-GVDBMIGSSA-N 0 3 299.418 2.979 20 30 CFEDHN CCC[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)OC ZINC000602641996 350958070 /nfs/dbraw/zinc/95/80/70/350958070.db2.gz WVIMJTNENWWYGJ-HOCLYGCPSA-N 0 3 258.365 2.950 20 30 CFEDHN Cc1ccoc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602670349 350969753 /nfs/dbraw/zinc/96/97/53/350969753.db2.gz CJZFLMHDOPXXEU-ZDUSSCGKSA-N 0 3 262.353 2.777 20 30 CFEDHN Cc1cc(C)c(CN[C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602681825 350975487 /nfs/dbraw/zinc/97/54/87/350975487.db2.gz NAACYRVMJRIQTI-HNNXBMFYSA-N 0 3 287.407 2.887 20 30 CFEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)nc1C ZINC000602690638 350980314 /nfs/dbraw/zinc/98/03/14/350980314.db2.gz LCBCKUQLJAIIDM-AWEZNQCLSA-N 0 3 287.407 2.887 20 30 CFEDHN C[C@H](CCCc1cccnc1)NCc1cccc(C#N)n1 ZINC000602690286 350980478 /nfs/dbraw/zinc/98/04/78/350980478.db2.gz IIWDORNQOYOKCJ-CQSZACIVSA-N 0 3 280.375 2.849 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc(=O)[nH]c1 ZINC000602692410 350981171 /nfs/dbraw/zinc/98/11/71/350981171.db2.gz NGNJHPFRRRDCKQ-GFCCVEGCSA-N 0 3 267.332 2.852 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCC[C@H]2C2CC2)n1 ZINC000602696475 350983623 /nfs/dbraw/zinc/98/36/23/350983623.db2.gz PVCMFMUDSYQSRL-CJNGLKHVSA-N 0 3 255.365 2.869 20 30 CFEDHN COc1cc(C[C@H](C)NCC2(C#N)CCCC2)ccn1 ZINC000602700671 350987137 /nfs/dbraw/zinc/98/71/37/350987137.db2.gz VKVDVDOJQOQOTO-ZDUSSCGKSA-N 0 3 273.380 2.695 20 30 CFEDHN C[C@@H](NCc1ccc(CC#N)cc1)[C@H]1CC1(F)F ZINC000602701844 350987836 /nfs/dbraw/zinc/98/78/36/350987836.db2.gz XPEVJLJLRZPARI-ZWNOBZJWSA-N 0 3 250.292 2.886 20 30 CFEDHN C[C@H](NCc1ccc(CC#N)cc1)[C@H]1CC1(F)F ZINC000602701842 350987900 /nfs/dbraw/zinc/98/79/00/350987900.db2.gz XPEVJLJLRZPARI-GXFFZTMASA-N 0 3 250.292 2.886 20 30 CFEDHN C[C@@H](NCc1ccc(CC#N)cc1)[C@@H]1CC1(F)F ZINC000602701843 350988058 /nfs/dbraw/zinc/98/80/58/350988058.db2.gz XPEVJLJLRZPARI-MFKMUULPSA-N 0 3 250.292 2.886 20 30 CFEDHN CCC(C)(C)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602704705 350988765 /nfs/dbraw/zinc/98/87/65/350988765.db2.gz JQTLFACSXZOAHR-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN CC[C@H](C(=O)OC(C)(C)C)N(C)C[C@@H](C)CCC#N ZINC000602708055 350991815 /nfs/dbraw/zinc/99/18/15/350991815.db2.gz WMVMRACTFCSWTF-QWHCGFSZSA-N 0 3 268.401 2.978 20 30 CFEDHN COc1ccc(F)c(CNC[C@H](C)CCC#N)c1 ZINC000602714400 350996065 /nfs/dbraw/zinc/99/60/65/350996065.db2.gz IRKASUAPQOSSKF-LLVKDONJSA-N 0 3 250.317 2.864 20 30 CFEDHN C[C@@H](CCC#N)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000602716040 350996815 /nfs/dbraw/zinc/99/68/15/350996815.db2.gz QSQYZCPJZCIULX-ZDUSSCGKSA-N 0 3 274.412 2.744 20 30 CFEDHN CC[C@H](C)c1nnc([C@@H](C)[NH2+]C[C@H](C)CCC#N)[n-]1 ZINC000602631666 350953464 /nfs/dbraw/zinc/95/34/64/350953464.db2.gz QIUJFEFJYFWBBZ-GRYCIOLGSA-N 0 3 263.389 2.909 20 30 CFEDHN CC[C@H](C)c1nnc([C@@H](C)NC[C@H](C)CCC#N)[nH]1 ZINC000602631666 350953466 /nfs/dbraw/zinc/95/34/66/350953466.db2.gz QIUJFEFJYFWBBZ-GRYCIOLGSA-N 0 3 263.389 2.909 20 30 CFEDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC1(CC#N)CC1 ZINC000602768583 351019171 /nfs/dbraw/zinc/01/91/71/351019171.db2.gz QXASMUUFUOZGQY-CQSZACIVSA-N 0 3 295.390 2.954 20 30 CFEDHN N#CCC1(CN2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000602778957 351022636 /nfs/dbraw/zinc/02/26/36/351022636.db2.gz JWRKSAQVQGRXOU-INIZCTEOSA-N 0 3 292.423 2.730 20 30 CFEDHN COC[C@H](Cc1ccccc1)N(C)CC1(CC#N)CC1 ZINC000602818408 351036628 /nfs/dbraw/zinc/03/66/28/351036628.db2.gz YERBBOUFIUKNAZ-INIZCTEOSA-N 0 3 272.392 2.870 20 30 CFEDHN CN(CCc1ccccc1[N+](=O)[O-])CC1(CC#N)CC1 ZINC000602832706 351040190 /nfs/dbraw/zinc/04/01/90/351040190.db2.gz VWEABKVDPNMHJU-UHFFFAOYSA-N 0 3 273.336 2.763 20 30 CFEDHN N#CCC1(CN2CCC[C@](CO)(Cc3ccccc3)C2)CC1 ZINC000602836093 351040913 /nfs/dbraw/zinc/04/09/13/351040913.db2.gz FKGCIBKXNZKVFB-IBGZPJMESA-N 0 3 298.430 2.997 20 30 CFEDHN N#CCC1(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000602839563 351042351 /nfs/dbraw/zinc/04/23/51/351042351.db2.gz VDUNBQXFBMGKMY-ZIAGYGMSSA-N 0 3 260.381 2.714 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)N1CC#N ZINC000602852527 351044952 /nfs/dbraw/zinc/04/49/52/351044952.db2.gz BYLRLZWFRWRSIK-HUUCEWRRSA-N 0 3 276.428 2.625 20 30 CFEDHN C[C@H]1CN(CCCc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000602855121 351047436 /nfs/dbraw/zinc/04/74/36/351047436.db2.gz SEDXNFQFIKZXJS-GJZGRUSLSA-N 0 3 289.398 2.676 20 30 CFEDHN N#CCC1(CN2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000602855904 351047775 /nfs/dbraw/zinc/04/77/75/351047775.db2.gz QHLBAGLRUACWBK-OAHLLOKOSA-N 0 3 255.365 2.955 20 30 CFEDHN C[C@H](CCc1ccccc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602859423 351048863 /nfs/dbraw/zinc/04/88/63/351048863.db2.gz YIMRAYGUODCXIB-BRWVUGGUSA-N 0 3 285.435 2.926 20 30 CFEDHN N#Cc1ccc(C2(NCc3cc[nH]c(=O)c3)CCC2)cc1 ZINC000602875323 351054550 /nfs/dbraw/zinc/05/45/50/351054550.db2.gz ZRLUDBHEFLGOJM-UHFFFAOYSA-N 0 3 279.343 2.828 20 30 CFEDHN N#Cc1ccccc1NC1CCN([C@H]2CCCOC2)CC1 ZINC000602893765 351059541 /nfs/dbraw/zinc/05/95/41/351059541.db2.gz GKBPEHRUWUTWPR-INIZCTEOSA-N 0 3 285.391 2.614 20 30 CFEDHN N#Cc1ccc(C2CCN(Cc3ccncc3)CC2)nc1 ZINC000602908300 351063431 /nfs/dbraw/zinc/06/34/31/351063431.db2.gz CEPITMXHAZNLAI-UHFFFAOYSA-N 0 3 278.359 2.728 20 30 CFEDHN CC(C)(C)OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909135 351063450 /nfs/dbraw/zinc/06/34/50/351063450.db2.gz ZTGDVPPIGSWIRE-UHFFFAOYSA-N 0 3 287.407 2.948 20 30 CFEDHN C[C@H]1CN(CC2(CC#N)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000602916229 351064475 /nfs/dbraw/zinc/06/44/75/351064475.db2.gz MAPJMTSQTQDBSM-UONOGXRCSA-N 0 3 292.423 2.980 20 30 CFEDHN CC1=C[C@@H](C)C[C@@H](CN2CCN(CCC#N)CC2)C1 ZINC000602747888 351012860 /nfs/dbraw/zinc/01/28/60/351012860.db2.gz IBHLULMLPZBQMZ-GDBMZVCRSA-N 0 3 261.413 2.510 20 30 CFEDHN CC1=CCC[C@@H](C)[C@H]1CN1CCN(CCC#N)CC1 ZINC000602748697 351013060 /nfs/dbraw/zinc/01/30/60/351013060.db2.gz QTRHUEWYXDVEJQ-CVEARBPZSA-N 0 3 261.413 2.510 20 30 CFEDHN Cc1[nH]ncc1CN(C)Cc1ccc(Cl)cc1C#N ZINC000602944647 351070654 /nfs/dbraw/zinc/07/06/54/351070654.db2.gz VZHDTECWTNFGMW-UHFFFAOYSA-N 0 3 274.755 2.875 20 30 CFEDHN CCOC(=O)CCCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602978665 351079716 /nfs/dbraw/zinc/07/97/16/351079716.db2.gz UMTIRFZYMNUDQN-ZIAGYGMSSA-N 0 3 266.385 2.734 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602982480 351083174 /nfs/dbraw/zinc/08/31/74/351083174.db2.gz TUXGETZHUKXHIU-ZIAGYGMSSA-N 0 3 280.412 2.980 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981885 351083806 /nfs/dbraw/zinc/08/38/06/351083806.db2.gz KVHYMDJTNDBNQO-HUUCEWRRSA-N 0 3 275.396 2.711 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602998017 351088972 /nfs/dbraw/zinc/08/89/72/351088972.db2.gz VYHSYKOMCFFZFE-ULQDDVLXSA-N 0 3 270.376 2.684 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)o1 ZINC000604553603 351218563 /nfs/dbraw/zinc/21/85/63/351218563.db2.gz AJYWNGWXGUPFOD-HNNXBMFYSA-N 0 3 282.347 2.629 20 30 CFEDHN C=CCCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000606898068 351300760 /nfs/dbraw/zinc/30/07/60/351300760.db2.gz BVQSRFMXDDILFA-INIZCTEOSA-N 0 3 294.826 2.567 20 30 CFEDHN COc1ccc2[nH]cc(CCNC[C@@H](C#N)CCC#N)c2c1 ZINC000609598615 351510902 /nfs/dbraw/zinc/51/09/02/351510902.db2.gz XELUICDFHSJTIS-CYBMUJFWSA-N 0 3 296.374 2.752 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000609840021 351521957 /nfs/dbraw/zinc/52/19/57/351521957.db2.gz YXQKSPWTTTWFKF-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)cc1 ZINC000609839751 351522006 /nfs/dbraw/zinc/52/20/06/351522006.db2.gz MDPRZLHJHNDOEF-AWEZNQCLSA-N 0 3 286.379 2.554 20 30 CFEDHN C[C@H](N[C@H]1CCN(CC(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000417385231 233706835 /nfs/dbraw/zinc/70/68/35/233706835.db2.gz LWKLQMZCUSBYIF-GWCFXTLKSA-N 0 3 297.324 2.687 20 30 CFEDHN CCN(CC)C(=O)C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610830066 351613047 /nfs/dbraw/zinc/61/30/47/351613047.db2.gz AZGMMVDQVGOJDL-KGLIPLIRSA-N 0 3 287.407 2.856 20 30 CFEDHN N#Cc1ccc(C2=CCN([C@H]3CCCOC3)CC2)cc1 ZINC000611245305 351656222 /nfs/dbraw/zinc/65/62/22/351656222.db2.gz FENRFVNXITYDMX-KRWDZBQOSA-N 0 3 268.360 2.826 20 30 CFEDHN CO[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000610959405 351625363 /nfs/dbraw/zinc/62/53/63/351625363.db2.gz WZZSKSDBFUUGOP-UONOGXRCSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H](CN1CCCC1=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391098 351680574 /nfs/dbraw/zinc/68/05/74/351680574.db2.gz SFHMMGCVMJXRQF-SUMWQHHRSA-N 0 3 297.402 2.536 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391618 351680598 /nfs/dbraw/zinc/68/05/98/351680598.db2.gz HSTUZFLJGDWJCY-DYVFJYSZSA-N 0 3 299.418 2.830 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391620 351680670 /nfs/dbraw/zinc/68/06/70/351680670.db2.gz HSTUZFLJGDWJCY-SUMWQHHRSA-N 0 3 299.418 2.830 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCC(=O)NC1CCCC1 ZINC000611394183 351681006 /nfs/dbraw/zinc/68/10/06/351681006.db2.gz QJYUVKCBAJFULC-KRWDZBQOSA-N 0 3 297.402 2.584 20 30 CFEDHN CCC(=O)N1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393274 351681067 /nfs/dbraw/zinc/68/10/67/351681067.db2.gz ALTQPBSAHQHIML-NVXWUHKLSA-N 0 3 297.402 2.536 20 30 CFEDHN CC(C)N1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000611394804 351682245 /nfs/dbraw/zinc/68/22/45/351682245.db2.gz FPCKQDFZSWMYPR-NVXWUHKLSA-N 0 3 297.402 2.535 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@@H](c1ccccc1)N(C)C ZINC000611398967 351682921 /nfs/dbraw/zinc/68/29/21/351682921.db2.gz DYQWJZJWJCAFFI-INIZCTEOSA-N 0 3 280.375 2.977 20 30 CFEDHN N#CCC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000611622768 351717049 /nfs/dbraw/zinc/71/70/49/351717049.db2.gz BMPINIGMWAYJFP-UHFFFAOYSA-N 0 3 297.402 2.704 20 30 CFEDHN C[C@H]1CC[C@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000611696392 351724762 /nfs/dbraw/zinc/72/47/62/351724762.db2.gz ADFXTVHGVOCKBM-BBRMVZONSA-N 0 3 255.365 2.965 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611559931 351708742 /nfs/dbraw/zinc/70/87/42/351708742.db2.gz PGQRRGYJZNGGHI-INIZCTEOSA-N 0 3 256.349 2.728 20 30 CFEDHN CCCC(=O)NC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000612059132 351767509 /nfs/dbraw/zinc/76/75/09/351767509.db2.gz XMTIBDGDQFABON-UHFFFAOYSA-N 0 3 299.418 2.633 20 30 CFEDHN N#Cc1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1F ZINC000291726061 198071175 /nfs/dbraw/zinc/07/11/75/198071175.db2.gz WNUNGOKNVCVUGR-UHFFFAOYSA-N 0 3 287.338 2.510 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CN1C1CC1 ZINC000122267981 187023445 /nfs/dbraw/zinc/02/34/45/187023445.db2.gz CJPAEZXHQQCDJX-CMPLNLGQSA-N 0 3 286.335 2.504 20 30 CFEDHN COC(=O)C1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000612403742 351814834 /nfs/dbraw/zinc/81/48/34/351814834.db2.gz AERONFOFDVQRBI-UHFFFAOYSA-N 0 3 290.338 2.520 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000123814637 187109740 /nfs/dbraw/zinc/10/97/40/187109740.db2.gz HKAGOFIFRPRVBU-IUODEOHRSA-N 0 3 276.355 2.823 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cccc(C#N)c1F ZINC000613390722 351949523 /nfs/dbraw/zinc/94/95/23/351949523.db2.gz YFKLRHXUVXZADA-SUMWQHHRSA-N 0 3 298.361 2.952 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000677951618 539830515 /nfs/dbraw/zinc/83/05/15/539830515.db2.gz QJOLCMUMKJTSPW-WBVHZDCISA-N 0 3 279.424 2.838 20 30 CFEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(C#N)cc1C)CC2 ZINC000614400910 352089632 /nfs/dbraw/zinc/08/96/32/352089632.db2.gz ONUDSIARKSGKMV-MRXNPFEDSA-N 0 3 298.386 2.642 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614403440 352090123 /nfs/dbraw/zinc/09/01/23/352090123.db2.gz YJPTWRINYDDEKO-GJZGRUSLSA-N 0 3 271.408 2.781 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000614600680 352106687 /nfs/dbraw/zinc/10/66/87/352106687.db2.gz FAQKFQIWXXHZDT-HIFRSBDPSA-N 0 3 294.358 2.983 20 30 CFEDHN N#CCN1CCC(NCc2ccc(Cl)cc2F)CC1 ZINC000614992556 352139513 /nfs/dbraw/zinc/13/95/13/352139513.db2.gz USUPFLHDKMBCGP-UHFFFAOYSA-N 0 3 281.762 2.557 20 30 CFEDHN C[C@H](NC[C@H](O)CC(F)(F)F)c1cccc(C#N)c1 ZINC000615795770 352243074 /nfs/dbraw/zinc/24/30/74/352243074.db2.gz RMIFJLPQFMLECC-JOYOIKCWSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000312529469 539863839 /nfs/dbraw/zinc/86/38/39/539863839.db2.gz HBOQAASTJPVVHJ-AWEZNQCLSA-N 0 3 271.364 2.726 20 30 CFEDHN C=CCSCCN[C@H](C)c1cnc(C)nc1C ZINC000271540156 191199939 /nfs/dbraw/zinc/19/99/39/191199939.db2.gz YGZFUNOVEZLLLF-SNVBAGLBSA-N 0 3 251.399 2.663 20 30 CFEDHN COCCN(Cc1ccnc(C#N)c1)[C@H]1CC[C@H](C)C1 ZINC000616873152 352436261 /nfs/dbraw/zinc/43/62/61/352436261.db2.gz VWWASMAVZIHZOH-BBRMVZONSA-N 0 3 273.380 2.590 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617010356 352463411 /nfs/dbraw/zinc/46/34/11/352463411.db2.gz NTUDXQILQNPRMJ-OLZOCXBDSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000617042826 352478445 /nfs/dbraw/zinc/47/84/45/352478445.db2.gz WDNYBOFCWHAHOE-JKSUJKDBSA-N 0 3 278.440 2.969 20 30 CFEDHN Cc1ccccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292110715 198166022 /nfs/dbraw/zinc/16/60/22/198166022.db2.gz HCOKBASNVKQSHR-QGZVFWFLSA-N 0 3 293.370 2.915 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccnc(C#N)c2)C[C@@H]1OC ZINC000617548448 352579283 /nfs/dbraw/zinc/57/92/83/352579283.db2.gz OBEFEFZCEFONPF-CABCVRRESA-N 0 3 273.380 2.637 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000617781959 352644651 /nfs/dbraw/zinc/64/46/51/352644651.db2.gz WBWUKXBLVZHDDV-OAHLLOKOSA-N 0 3 264.413 2.533 20 30 CFEDHN Cc1cc(CN[C@]2(CO)CCc3ccccc32)ccc1C#N ZINC000618195220 352736457 /nfs/dbraw/zinc/73/64/57/352736457.db2.gz KHNCINMPIIGMFP-IBGZPJMESA-N 0 3 292.382 2.790 20 30 CFEDHN CC[C@H](NCCOC[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000618568456 352812028 /nfs/dbraw/zinc/81/20/28/352812028.db2.gz UOSSHUYVOJQXRA-RDJZCZTQSA-N 0 3 288.391 2.652 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000618571692 352813824 /nfs/dbraw/zinc/81/38/24/352813824.db2.gz MEFVJRSUEHDCJX-CHWSQXEVSA-N 0 3 289.335 2.646 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccc1C#N ZINC000618593588 352827563 /nfs/dbraw/zinc/82/75/63/352827563.db2.gz NCQGGWGXTKXSBF-MRXNPFEDSA-N 0 3 280.375 2.969 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N[C@@H](C)CN1CCC(C)CC1)OCC ZINC000618986795 352928254 /nfs/dbraw/zinc/92/82/54/352928254.db2.gz IDTXXNHBLAPFSL-JKSUJKDBSA-N 0 3 296.455 2.594 20 30 CFEDHN CCN(C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000619158412 352967986 /nfs/dbraw/zinc/96/79/86/352967986.db2.gz ORQOJSAWJKCQEV-QGZVFWFLSA-N 0 3 297.402 2.928 20 30 CFEDHN CC[C@H](COC)NCc1ccc(C#N)c(Cl)c1 ZINC000619754944 353063440 /nfs/dbraw/zinc/06/34/40/353063440.db2.gz OZSLACQIKDFFMY-GFCCVEGCSA-N 0 3 252.745 2.726 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1 ZINC000619903268 353075881 /nfs/dbraw/zinc/07/58/81/353075881.db2.gz YVNJTGGYDGWSRJ-SJORKVTESA-N 0 3 286.419 2.947 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC[C@H]2OCCc3ccccc32)C1 ZINC000619673071 353047998 /nfs/dbraw/zinc/04/79/98/353047998.db2.gz QFADZJMQRMHCPF-IVMMDQJWSA-N 0 3 256.349 2.582 20 30 CFEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000619672829 353048011 /nfs/dbraw/zinc/04/80/11/353048011.db2.gz KMZCEIRLUKTVTP-ZOWXZIJZSA-N 0 3 272.348 2.801 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](CO)Cc2ccccc2)c1 ZINC000152718901 188038821 /nfs/dbraw/zinc/03/88/21/188038821.db2.gz CHQJLWXVDIIJIV-GOSISDBHSA-N 0 3 297.398 2.945 20 30 CFEDHN C#CCSCCNCc1cnc(C(C)(C)C)s1 ZINC000152954615 188054706 /nfs/dbraw/zinc/05/47/06/188054706.db2.gz KTXDQSHNYSXZPE-UHFFFAOYSA-N 0 3 268.451 2.897 20 30 CFEDHN C[C@@](O)(CNCc1cccc(C#N)c1)c1cccs1 ZINC000152994672 188057863 /nfs/dbraw/zinc/05/78/63/188057863.db2.gz MDFLUVRRTCKYBV-OAHLLOKOSA-N 0 3 272.373 2.617 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)N(CC)CC ZINC000620309421 353149763 /nfs/dbraw/zinc/14/97/63/353149763.db2.gz PIPLVUBNUVPVQZ-QLFBSQMISA-N 0 3 264.413 2.816 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC000620313169 353150234 /nfs/dbraw/zinc/15/02/34/353150234.db2.gz YMMGHFZRHRARIV-QLFBSQMISA-N 0 3 262.397 2.570 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCCCC1 ZINC000620310785 353150398 /nfs/dbraw/zinc/15/03/98/353150398.db2.gz RYJNPEFHXYXCEF-OAGGEKHMSA-N 0 3 276.424 2.961 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(F)ccc1OC ZINC000271663480 191265959 /nfs/dbraw/zinc/26/59/59/191265959.db2.gz LSJQDSSBODFDHI-WCQYABFASA-N 0 3 267.344 2.812 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000292396859 198273093 /nfs/dbraw/zinc/27/30/93/198273093.db2.gz XSCGHLDDJGCPKL-UHFFFAOYSA-N 0 3 274.408 2.837 20 30 CFEDHN C=C(C)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000154264324 188132629 /nfs/dbraw/zinc/13/26/29/188132629.db2.gz XXWJUUCGGRFTGH-UHFFFAOYSA-N 0 3 258.365 2.588 20 30 CFEDHN C=CCN(C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000154778236 188161624 /nfs/dbraw/zinc/16/16/24/188161624.db2.gz JRFOXNXVGNFCNJ-UHFFFAOYSA-N 0 3 257.337 2.703 20 30 CFEDHN CC#CCCN(CC)Cc1ccc(OC)c(OC)c1 ZINC000155045738 188178381 /nfs/dbraw/zinc/17/83/81/188178381.db2.gz ZUXUQNFYMPPBJT-UHFFFAOYSA-N 0 3 261.365 2.939 20 30 CFEDHN C=CCCC(C)(C)NC(=O)CCN(C)c1ccncc1 ZINC000620857993 353241905 /nfs/dbraw/zinc/24/19/05/353241905.db2.gz RCEMCVKOMWFYKT-UHFFFAOYSA-N 0 3 275.396 2.769 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN[C@@H](C(C)C)C1)c1ccccc1 ZINC000621155412 353288963 /nfs/dbraw/zinc/28/89/63/353288963.db2.gz FVOLFLBFPVSPLJ-NVXWUHKLSA-N 0 3 286.419 2.803 20 30 CFEDHN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000292585557 198341565 /nfs/dbraw/zinc/34/15/65/198341565.db2.gz ZTXWGHOVPCSODL-KBPBESRZSA-N 0 3 287.407 2.761 20 30 CFEDHN C#CC[C@H](NCCn1nc(C)cc1C)c1ccccc1 ZINC000271684495 191276582 /nfs/dbraw/zinc/27/65/82/191276582.db2.gz JBZOWNLFUYTZEV-KRWDZBQOSA-N 0 3 267.376 2.854 20 30 CFEDHN Cc1cnc(CCN(C)CCCSCC#N)s1 ZINC000157823441 188340964 /nfs/dbraw/zinc/34/09/64/188340964.db2.gz STMXQPSZSXHARL-UHFFFAOYSA-N 0 3 269.439 2.573 20 30 CFEDHN CN(CCOc1ccccc1C#N)CCc1nccs1 ZINC000157999491 188351900 /nfs/dbraw/zinc/35/19/00/188351900.db2.gz SSUHDCVOWWHEJX-UHFFFAOYSA-N 0 3 287.388 2.568 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621756207 353419463 /nfs/dbraw/zinc/41/94/63/353419463.db2.gz IMQNZRHGCPLTLH-MRXNPFEDSA-N 0 3 288.391 2.667 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NC2CCN(CC(=C)C)CC2)C1 ZINC000623579369 353677500 /nfs/dbraw/zinc/67/75/00/353677500.db2.gz YWRNMDPDXBDNLQ-HNNXBMFYSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CCCn1cc(CNC(CC)(C2CC2)C2CC2)nn1 ZINC000623623240 353688945 /nfs/dbraw/zinc/68/89/45/353688945.db2.gz FEMYSCFTSFSYTP-UHFFFAOYSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000623708483 353709290 /nfs/dbraw/zinc/70/92/90/353709290.db2.gz KQCAUKDDPSVUTE-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(CC)CN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000625390589 354039496 /nfs/dbraw/zinc/03/94/96/354039496.db2.gz UZAODTIYDNOOJI-KRWDZBQOSA-N 0 3 275.392 2.606 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000625701652 354089455 /nfs/dbraw/zinc/08/94/55/354089455.db2.gz RAGXKACGIYGNCE-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000625895242 354135023 /nfs/dbraw/zinc/13/50/23/354135023.db2.gz ZCKZXUNWVQNVDG-ZDUSSCGKSA-N 0 3 285.391 2.762 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000625702102 354090517 /nfs/dbraw/zinc/09/05/17/354090517.db2.gz NEXGNTCEGVOTSA-CYBMUJFWSA-N 0 3 286.379 2.782 20 30 CFEDHN C=CCCn1cc(CN2CCCC3(CC3)CC2)nn1 ZINC000626115271 354199504 /nfs/dbraw/zinc/19/95/04/354199504.db2.gz MVNZNJQNBPJEFC-UHFFFAOYSA-N 0 3 260.385 2.620 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](c1ccc(OC)nc1)C1CC1 ZINC000626180461 354224322 /nfs/dbraw/zinc/22/43/22/354224322.db2.gz NRKWHJYRDHBFGA-WBMJQRKESA-N 0 3 258.365 2.933 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000628317158 354542704 /nfs/dbraw/zinc/54/27/04/354542704.db2.gz XXYUXPCTBISTRM-MJBXVCDLSA-N 0 3 266.429 2.966 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC(=O)C1CCCC1 ZINC000628991790 354715149 /nfs/dbraw/zinc/71/51/49/354715149.db2.gz PWADGBRIGXBNJB-INIZCTEOSA-N 0 3 298.386 2.634 20 30 CFEDHN C=CCOCCNCc1ccccc1OCc1cccnc1 ZINC000679486976 540065622 /nfs/dbraw/zinc/06/56/22/540065622.db2.gz VMAJCJNCYZNOPO-UHFFFAOYSA-N 0 3 298.386 2.953 20 30 CFEDHN C#CCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000271790892 191327500 /nfs/dbraw/zinc/32/75/00/191327500.db2.gz NJKVWLXVOYQTMS-SNVBAGLBSA-N 0 3 251.301 2.517 20 30 CFEDHN C[C@H]1C[C@@H](N(C)c2ncc(C#N)cc2Cl)CCN1C ZINC000172765272 291060568 /nfs/dbraw/zinc/06/05/68/291060568.db2.gz HBWLRVXYQMQLQI-JQWIXIFHSA-N 0 3 278.787 2.526 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@H]2CCO[C@H]21 ZINC000271822284 191348976 /nfs/dbraw/zinc/34/89/76/191348976.db2.gz CMMXAETXKNWZII-BPLDGKMQSA-N 0 3 274.339 2.600 20 30 CFEDHN C[C@@H](NC[C@@H](O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000271866799 191377598 /nfs/dbraw/zinc/37/75/98/191377598.db2.gz VFIMRYZQFUBPFV-KDOFPFPSSA-N 0 3 280.371 2.812 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000271868073 191379052 /nfs/dbraw/zinc/37/90/52/191379052.db2.gz LWAKHGIOECXMOP-KBAYOESNSA-N 0 3 297.398 2.746 20 30 CFEDHN N#Cc1cc(Cl)ccc1N1CCCN(C2CC2)CC1 ZINC000171831567 283094248 /nfs/dbraw/zinc/09/42/48/283094248.db2.gz JNJLJAAJJOQBIC-UHFFFAOYSA-N 0 3 275.783 2.886 20 30 CFEDHN C=CCCC(C)(C)CNCc1cc(C(N)=O)cs1 ZINC000631222334 355358988 /nfs/dbraw/zinc/35/89/88/355358988.db2.gz WDDUQHYBOOTACE-UHFFFAOYSA-N 0 3 266.410 2.929 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631697269 355551515 /nfs/dbraw/zinc/55/15/15/355551515.db2.gz ZUMOSBHRCSWEDW-ZDUSSCGKSA-N 0 3 278.400 2.533 20 30 CFEDHN C=CCC[C@H](CC)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631697269 355551517 /nfs/dbraw/zinc/55/15/17/355551517.db2.gz ZUMOSBHRCSWEDW-ZDUSSCGKSA-N 0 3 278.400 2.533 20 30 CFEDHN COCC#CCN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000680090927 540197304 /nfs/dbraw/zinc/19/73/04/540197304.db2.gz JONAVEMWBVGROQ-RHSMWYFYSA-N 0 3 273.376 2.728 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)NC1CCN(C2CC2)CC1 ZINC000632843083 355757786 /nfs/dbraw/zinc/75/77/86/355757786.db2.gz FUUOEDPGLQKRHM-UHFFFAOYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CC2CCC2)CC1 ZINC000632987131 355787353 /nfs/dbraw/zinc/78/73/53/355787353.db2.gz ZEDHAVQTRLZWEQ-CQSZACIVSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000633158638 355814080 /nfs/dbraw/zinc/81/40/80/355814080.db2.gz UFKSAQQEPMDOEP-AWEZNQCLSA-N 0 3 293.455 2.928 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634094871 356090299 /nfs/dbraw/zinc/09/02/99/356090299.db2.gz FKJFIWMWJQDEDC-CYBMUJFWSA-N 0 3 290.411 2.691 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634273842 356135611 /nfs/dbraw/zinc/13/56/11/356135611.db2.gz JWHQVJHFCSDJTP-MRXNPFEDSA-N 0 3 272.392 2.652 20 30 CFEDHN CN1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000270304800 283142768 /nfs/dbraw/zinc/14/27/68/283142768.db2.gz QYKLTWBRXFZHAH-RDJZCZTQSA-N 0 3 278.359 2.811 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000376956343 283147383 /nfs/dbraw/zinc/14/73/83/283147383.db2.gz FYTJPQWCGFHPDD-CRAIPNDOSA-N 0 3 278.355 2.869 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCC1=CCCOC1 ZINC000334408045 283194198 /nfs/dbraw/zinc/19/41/98/283194198.db2.gz HSFPXOMTCCKJGJ-KRWDZBQOSA-N 0 3 268.360 2.872 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC2)c1F ZINC000328915050 202111311 /nfs/dbraw/zinc/11/13/11/202111311.db2.gz QPJJPNJDISVMDK-CJNGLKHVSA-N 0 3 287.338 2.684 20 30 CFEDHN N#Cc1ccccc1N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000046086558 283215564 /nfs/dbraw/zinc/21/55/64/283215564.db2.gz RQCGJMOBYHFACE-KRWDZBQOSA-N 0 3 299.418 2.639 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC000414490039 283247786 /nfs/dbraw/zinc/24/77/86/283247786.db2.gz XCKUBFJCRDYXPJ-WCQYABFASA-N 0 3 261.394 2.931 20 30 CFEDHN C=CC(C)(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000294444412 199042847 /nfs/dbraw/zinc/04/28/47/199042847.db2.gz MXMHMNMWUODSGU-UHFFFAOYSA-N 0 3 260.381 2.577 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000294824149 199199599 /nfs/dbraw/zinc/19/95/99/199199599.db2.gz PHEVVJCLOJEPOA-SFHVURJKSA-N 0 3 280.371 2.906 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1ccccc1OC(F)F ZINC000294861471 199218342 /nfs/dbraw/zinc/21/83/42/199218342.db2.gz BZWOANZHJXCBFM-ZDUSSCGKSA-N 0 3 296.361 2.894 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)s2)CCCC[C@@H]1O ZINC000176981834 189018652 /nfs/dbraw/zinc/01/86/52/189018652.db2.gz VWZNSFBWBVVEEU-KBPBESRZSA-N 0 3 264.394 2.651 20 30 CFEDHN C=CCN1CCC(Nc2nc3ccccc3n2C)CC1 ZINC000179292921 189183520 /nfs/dbraw/zinc/18/35/20/189183520.db2.gz OKXWDVOSUMVZMK-UHFFFAOYSA-N 0 3 270.380 2.636 20 30 CFEDHN CCC[C@@H](C)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000179672496 189212235 /nfs/dbraw/zinc/21/22/35/189212235.db2.gz RRNTVEZJMBNDOA-CQSZACIVSA-N 0 3 272.396 2.511 20 30 CFEDHN CCC[C@@H](C)CN1CCN(c2ncccc2C#N)CC1 ZINC000179640849 189209817 /nfs/dbraw/zinc/20/98/17/189209817.db2.gz BRZFENAMDIOBPG-CQSZACIVSA-N 0 3 272.396 2.511 20 30 CFEDHN C=CCCCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179826127 189222431 /nfs/dbraw/zinc/22/24/31/189222431.db2.gz ZCIFQKCQVKVICG-NSHDSACASA-N 0 3 285.384 2.846 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC)C(C)(C)c1ccccc1 ZINC000180011238 189231822 /nfs/dbraw/zinc/23/18/22/189231822.db2.gz HPJNECMPEBFVRZ-OAHLLOKOSA-N 0 3 274.408 2.635 20 30 CFEDHN C=CCN[C@@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180014679 189232598 /nfs/dbraw/zinc/23/25/98/189232598.db2.gz VNXJZWSIEVDORX-GWCFXTLKSA-N 0 3 260.337 2.633 20 30 CFEDHN COc1ccc(CNc2cccc(N(C)C)n2)cc1C#N ZINC000180526811 189260705 /nfs/dbraw/zinc/26/07/05/189260705.db2.gz JEUXCAWLKUVLHR-UHFFFAOYSA-N 0 3 282.347 2.640 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000671706099 541056092 /nfs/dbraw/zinc/05/60/92/541056092.db2.gz ISIAGANWMFXQEK-KBPBESRZSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000671706100 541056125 /nfs/dbraw/zinc/05/61/25/541056125.db2.gz ISIAGANWMFXQEK-KGLIPLIRSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000666760943 541140996 /nfs/dbraw/zinc/14/09/96/541140996.db2.gz JIMVGJVMZWHITK-HNNXBMFYSA-N 0 3 281.444 2.714 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NC[C@H](C1CC1)N(C)C ZINC000302073314 201330600 /nfs/dbraw/zinc/33/06/00/201330600.db2.gz ZTTRKSDAYHZGJW-MRXNPFEDSA-N 0 3 271.364 2.513 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)Nc1cccc(CN)c1 ZINC000667735352 541302650 /nfs/dbraw/zinc/30/26/50/541302650.db2.gz QZQRQLMOLGKYLV-AWEZNQCLSA-N 0 3 259.353 2.718 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@H](O)Cc1ccccc1 ZINC000433042898 240086143 /nfs/dbraw/zinc/08/61/43/240086143.db2.gz ZDFKATMECULKEY-QGZVFWFLSA-N 0 3 298.361 2.733 20 30 CFEDHN C[C@H](O)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000433080088 240095753 /nfs/dbraw/zinc/09/57/53/240095753.db2.gz ABRBYNWBZWRJIG-QWRGUYRKSA-N 0 3 250.317 2.509 20 30 CFEDHN C=CCN(C(=O)Nc1ccccc1CCN(C)C)C1CC1 ZINC000275611760 193086830 /nfs/dbraw/zinc/08/68/30/193086830.db2.gz IKRYGCJHWRKOGJ-UHFFFAOYSA-N 0 3 287.407 2.973 20 30 CFEDHN Cc1cc(CNCc2ccc(O)cc2)ccc1C#N ZINC000443962772 241097155 /nfs/dbraw/zinc/09/71/55/241097155.db2.gz JUWOVASIDPGOHH-UHFFFAOYSA-N 0 3 252.317 2.862 20 30 CFEDHN Cc1ccnc(NCCN2CCCC(C)(C)C2)c1C#N ZINC000443961527 241098298 /nfs/dbraw/zinc/09/82/98/241098298.db2.gz QBGBVURNEWNLME-UHFFFAOYSA-N 0 3 272.396 2.796 20 30 CFEDHN Cc1cc(CNCc2ccc(N(C)C)nc2)ccc1C#N ZINC000443987872 241101699 /nfs/dbraw/zinc/10/16/99/241101699.db2.gz YHRGZHIFOPZIHK-UHFFFAOYSA-N 0 3 280.375 2.618 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)c(C)c2)c(C)o1 ZINC000443991200 241103060 /nfs/dbraw/zinc/10/30/60/241103060.db2.gz UEDXVPSKIIYEKZ-UHFFFAOYSA-N 0 3 269.348 2.804 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1 ZINC000443336448 241054571 /nfs/dbraw/zinc/05/45/71/241054571.db2.gz QGOFWCKXRMDTKW-XJKCOSOUSA-N 0 3 258.365 2.540 20 30 CFEDHN CC(C)[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000444756130 241187131 /nfs/dbraw/zinc/18/71/31/241187131.db2.gz QHDMWYPMUIFWIW-KRWDZBQOSA-N 0 3 299.418 2.542 20 30 CFEDHN N#Cc1csc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000449550484 242020861 /nfs/dbraw/zinc/02/08/61/242020861.db2.gz CZBCKNWGFMEERC-RDBSUJKOSA-N 0 3 276.405 2.603 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450376762 242384585 /nfs/dbraw/zinc/38/45/85/242384585.db2.gz HNOKMOQXOQAIMM-RISCZKNCSA-N 0 3 288.351 2.607 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](Cn1cccn1)c1ccccc1 ZINC000675497121 541662504 /nfs/dbraw/zinc/66/25/04/541662504.db2.gz BPJMLYLKULSMPM-IAGOWNOFSA-N 0 3 285.391 2.541 20 30 CFEDHN C[C@H](NCCSCc1ccccc1C#N)c1ccncn1 ZINC000453067155 243386217 /nfs/dbraw/zinc/38/62/17/243386217.db2.gz BSUUOOUHUKGRTL-ZDUSSCGKSA-N 0 3 298.415 2.932 20 30 CFEDHN CC(C)(C)[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330628907 203057202 /nfs/dbraw/zinc/05/72/02/203057202.db2.gz ZUKGQXMNCIUYRV-MRXNPFEDSA-N 0 3 299.418 2.685 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330628906 203057806 /nfs/dbraw/zinc/05/78/06/203057806.db2.gz ZUKGQXMNCIUYRV-INIZCTEOSA-N 0 3 299.418 2.685 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC12CCC2 ZINC000373153670 284121171 /nfs/dbraw/zinc/12/11/71/284121171.db2.gz UCXHWSIRGVEACR-BBRMVZONSA-N 0 3 298.386 2.894 20 30 CFEDHN CC(C)[C@@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000330784220 203231076 /nfs/dbraw/zinc/23/10/76/203231076.db2.gz JOTYNRCWBKSDGQ-ABAIWWIYSA-N 0 3 264.344 2.755 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)[C@H](C2CC2)N2CCCC2)c1 ZINC000456972372 244341387 /nfs/dbraw/zinc/34/13/87/244341387.db2.gz USALGTOEERRQJM-INIZCTEOSA-N 0 3 283.375 2.680 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2ccc(C#N)cc2F)c1 ZINC000276131740 193222139 /nfs/dbraw/zinc/22/21/39/193222139.db2.gz ZBEUVYPNWDAVOD-QGZVFWFLSA-N 0 3 298.361 2.699 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000276346147 193295177 /nfs/dbraw/zinc/29/51/77/193295177.db2.gz CVPHISZVQYFYPJ-HUUCEWRRSA-N 0 3 274.408 2.803 20 30 CFEDHN N#Cc1cccc(C2(NCC[C@@H]3CCCO3)CC2)c1 ZINC000276320284 193286372 /nfs/dbraw/zinc/28/63/72/193286372.db2.gz ZZQKDKASVHIYIW-HNNXBMFYSA-N 0 3 256.349 2.706 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000276410140 193319991 /nfs/dbraw/zinc/31/99/91/193319991.db2.gz LMJMFTBWBABQOL-ZDUSSCGKSA-N 0 3 278.371 2.853 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000276425331 193325692 /nfs/dbraw/zinc/32/56/92/193325692.db2.gz MXYRPKFAIVBEAR-AWEZNQCLSA-N 0 3 299.418 2.723 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCOc1cccc(Cl)c1 ZINC000677046989 541812926 /nfs/dbraw/zinc/81/29/26/541812926.db2.gz NPRHAIGUEKAPNW-AWEZNQCLSA-N 0 3 269.772 2.588 20 30 CFEDHN COc1cc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)ccc1C#N ZINC000459710105 245282871 /nfs/dbraw/zinc/28/28/71/245282871.db2.gz JLIAZSWPOLZMFO-HOTGVXAUSA-N 0 3 298.386 2.568 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000331999503 204377675 /nfs/dbraw/zinc/37/76/75/204377675.db2.gz OKAYXBLDZOBXCI-HNNXBMFYSA-N 0 3 299.418 2.687 20 30 CFEDHN Cc1cc(C)n([C@@H](C)CC(=O)NCC2=CCN(C)CC2)n1 ZINC000329215722 227357970 /nfs/dbraw/zinc/35/79/70/227357970.db2.gz NEWYSKOAAAUEMT-AWEZNQCLSA-N 0 3 290.411 2.669 20 30 CFEDHN N#Cc1ccc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000025570802 372303034 /nfs/dbraw/zinc/30/30/34/372303034.db2.gz RICYEWUCOHQMKZ-UHFFFAOYSA-N 0 3 288.351 2.754 20 30 CFEDHN C[C@@H](C1CC1)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000031653821 372413858 /nfs/dbraw/zinc/41/38/58/372413858.db2.gz HJDJOSIPEHVNDL-LBPRGKRZSA-N 0 3 283.375 2.760 20 30 CFEDHN COC(=O)[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000265566002 284331943 /nfs/dbraw/zinc/33/19/43/284331943.db2.gz WAFHPXWBHRZHRW-WFASDCNBSA-N 0 3 272.348 2.504 20 30 CFEDHN COC(=O)[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000186768855 284332515 /nfs/dbraw/zinc/33/25/15/284332515.db2.gz MZRBYEVIMGXBMQ-DOMZBBRYSA-N 0 3 272.348 2.504 20 30 CFEDHN C=CCCOCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000677600076 541880352 /nfs/dbraw/zinc/88/03/52/541880352.db2.gz VAIZSHGEABBMOT-UHFFFAOYSA-N 0 3 276.380 2.588 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000038013646 372766768 /nfs/dbraw/zinc/76/67/68/372766768.db2.gz IBDHQBMCWDGDCI-STQMWFEESA-N 0 3 273.380 2.514 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000038014233 372768555 /nfs/dbraw/zinc/76/85/55/372768555.db2.gz XLIHSCWTZHSTMS-CHWSQXEVSA-N 0 3 273.380 2.514 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)CCc1ccncc1 ZINC000041065904 372809684 /nfs/dbraw/zinc/80/96/84/372809684.db2.gz AJDFXVRYVVOMIL-UHFFFAOYSA-N 0 3 281.359 2.507 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000042244954 372894329 /nfs/dbraw/zinc/89/43/29/372894329.db2.gz NTDBNXGRYOCGDA-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@@H](C)CC ZINC000046171406 373044978 /nfs/dbraw/zinc/04/49/78/373044978.db2.gz XOCCUCPRQASZDQ-AWEZNQCLSA-N 0 3 260.381 2.589 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccs2)CC1 ZINC000049001517 373247783 /nfs/dbraw/zinc/24/77/83/373247783.db2.gz IRPVQZTUHSDEQO-UHFFFAOYSA-N 0 3 264.394 2.518 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCCC1 ZINC000049492005 373303518 /nfs/dbraw/zinc/30/35/18/373303518.db2.gz WSWYCGBQDXJRNP-BBRMVZONSA-N 0 3 279.428 2.551 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000054183334 373503724 /nfs/dbraw/zinc/50/37/24/373503724.db2.gz XGFYBYGMFVXMST-CVEARBPZSA-N 0 3 257.381 2.543 20 30 CFEDHN CC[C@@H](CC#N)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000054183333 373504537 /nfs/dbraw/zinc/50/45/37/373504537.db2.gz XGFYBYGMFVXMST-HOTGVXAUSA-N 0 3 257.381 2.543 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1CC(C)(C)C ZINC000057863000 373616924 /nfs/dbraw/zinc/61/69/24/373616924.db2.gz TZVNSAFVYUEWSO-HUUCEWRRSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@H](C1CC1)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192531906 220226423 /nfs/dbraw/zinc/22/64/23/220226423.db2.gz QAWSRJORXVFBSG-CXAGYDPISA-N 0 3 297.402 2.784 20 30 CFEDHN C=CCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064400163 373823020 /nfs/dbraw/zinc/82/30/20/373823020.db2.gz JZCGEBFRKKKKLY-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000063218228 373799109 /nfs/dbraw/zinc/79/91/09/373799109.db2.gz CKCFVKXERZDLFF-RDTXWAMCSA-N 0 3 280.371 2.812 20 30 CFEDHN C=C(C)CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301577 373801055 /nfs/dbraw/zinc/80/10/55/373801055.db2.gz VKYXWWGNQFLEKU-UHFFFAOYSA-N 0 3 292.448 2.695 20 30 CFEDHN C[C@@H](CC#N)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264085264 383695105 /nfs/dbraw/zinc/69/51/05/383695105.db2.gz QZDCQPALOOFIHV-HNNXBMFYSA-N 0 3 299.418 2.659 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1cccc(F)c1C#N ZINC000451739219 383695454 /nfs/dbraw/zinc/69/54/54/383695454.db2.gz JJZXBPREKRUCFF-AWEZNQCLSA-N 0 3 275.371 2.613 20 30 CFEDHN C=C(C)CN(CCOC)CCOc1ccc(F)cc1 ZINC000066567848 373938979 /nfs/dbraw/zinc/93/89/79/373938979.db2.gz GAAYHVPIUUIESF-UHFFFAOYSA-N 0 3 267.344 2.729 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000068766608 374038480 /nfs/dbraw/zinc/03/84/80/374038480.db2.gz KVMLEOISXXYXBV-MRXNPFEDSA-N 0 3 263.344 2.943 20 30 CFEDHN C=CCN(CCN1CCCC1=O)CC1CCCCC1 ZINC000069860049 374105036 /nfs/dbraw/zinc/10/50/36/374105036.db2.gz HNUSFPNJILHCJJ-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000677802790 541907294 /nfs/dbraw/zinc/90/72/94/541907294.db2.gz ZDZFAMQXYOBCFB-ZWKOTPCHSA-N 0 3 289.419 2.647 20 30 CFEDHN N#Cc1cc(Cl)ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000071397993 374216137 /nfs/dbraw/zinc/21/61/37/374216137.db2.gz XXBPIQONPIIJAB-CQSZACIVSA-N 0 3 275.783 2.886 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)CC#CCOC)C1(CC)CC ZINC000677818498 541909617 /nfs/dbraw/zinc/90/96/17/541909617.db2.gz ARQSASOYPNSOPR-CABCVRRESA-N 0 3 267.413 2.552 20 30 CFEDHN COCC#CCN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000677818617 541909730 /nfs/dbraw/zinc/90/97/30/541909730.db2.gz DHGUFROJPRTIFK-MRXNPFEDSA-N 0 3 282.387 2.997 20 30 CFEDHN N#Cc1cc(F)c(N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000072089505 374234449 /nfs/dbraw/zinc/23/44/49/374234449.db2.gz ZDWQYMBSYZRMMQ-LBPRGKRZSA-N 0 3 277.318 2.511 20 30 CFEDHN CCC#C[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000677951613 541929921 /nfs/dbraw/zinc/92/99/21/541929921.db2.gz QJOLCMUMKJTSPW-DOTOQJQBSA-N 0 3 279.424 2.838 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000074206480 374409836 /nfs/dbraw/zinc/40/98/36/374409836.db2.gz SJMOTYUYNJNQHK-WDEREUQCSA-N 0 3 298.333 2.629 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000076968534 374559403 /nfs/dbraw/zinc/55/94/03/374559403.db2.gz RRDNGGCUKVPLIJ-UHFFFAOYSA-N 0 3 277.343 2.598 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000451774431 383703327 /nfs/dbraw/zinc/70/33/27/383703327.db2.gz OEEKUBSYIIMKMP-WQVCFCJDSA-N 0 3 286.375 2.941 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(CC)CCC2)CC1 ZINC000084159915 374765838 /nfs/dbraw/zinc/76/58/38/374765838.db2.gz KBVRZTVWIBPCSW-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCOc1cccc(CN2CCN(CC)[C@@H](C)C2)c1 ZINC000678260962 541987702 /nfs/dbraw/zinc/98/77/02/541987702.db2.gz HJYMFBBMAFRLFL-HNNXBMFYSA-N 0 3 274.408 2.777 20 30 CFEDHN CC(C)(CCC#N)CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000092076304 375088606 /nfs/dbraw/zinc/08/86/06/375088606.db2.gz PCHQASMPLYONTI-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN CO[C@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000091772449 375062424 /nfs/dbraw/zinc/06/24/24/375062424.db2.gz FQBCGSUHWJLZAW-KRWDZBQOSA-N 0 3 288.391 2.980 20 30 CFEDHN C[C@H](N(C)Cc1cnc2ccc(C#N)cn12)C1(C)CC1 ZINC000091900486 375069088 /nfs/dbraw/zinc/06/90/88/375069088.db2.gz JBCVMZGYJOXLCN-LBPRGKRZSA-N 0 3 268.364 2.826 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1cc(C#N)cs1 ZINC000093146376 375191177 /nfs/dbraw/zinc/19/11/77/375191177.db2.gz KXEAGEKLKCATOT-UHFFFAOYSA-N 0 3 266.410 2.850 20 30 CFEDHN C=CC1CCN(Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000093359243 375220048 /nfs/dbraw/zinc/22/00/48/375220048.db2.gz QCEBYNDCGZAOJW-UHFFFAOYSA-N 0 3 270.380 2.744 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H](COCC)C2)cc1 ZINC000093419274 375232289 /nfs/dbraw/zinc/23/22/89/375232289.db2.gz NHUZIYHROCHOLO-KRWDZBQOSA-N 0 3 287.403 2.947 20 30 CFEDHN C=CCOc1ccccc1CNC[C@]1(C)CCCO1 ZINC000094797815 375379661 /nfs/dbraw/zinc/37/96/61/375379661.db2.gz GUZITOGPZJTORY-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN C=C(C)CN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000101545097 375639207 /nfs/dbraw/zinc/63/92/07/375639207.db2.gz IMIDFIFBQSYUFV-CQSZACIVSA-N 0 3 273.380 2.617 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000102740435 375691394 /nfs/dbraw/zinc/69/13/94/375691394.db2.gz JUSDSYVDJUGTNT-UHFFFAOYSA-N 0 3 294.757 2.763 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2(C#N)CCCCC2)CC1 ZINC000106034132 375794575 /nfs/dbraw/zinc/79/45/75/375794575.db2.gz RAHWVQXVZZEVHF-UHFFFAOYSA-N 0 3 289.423 2.617 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000678714477 542060681 /nfs/dbraw/zinc/06/06/81/542060681.db2.gz CRWZNZFGEAVQOR-HOTGVXAUSA-N 0 3 266.429 2.528 20 30 CFEDHN CCCOc1ccc([C@H](C)NCC#CCOC)cc1OC ZINC000678744987 542063841 /nfs/dbraw/zinc/06/38/41/542063841.db2.gz NPJAFSOTQUBVGW-AWEZNQCLSA-N 0 3 291.391 2.784 20 30 CFEDHN CC[C@@H](C)[C@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000112381592 375916364 /nfs/dbraw/zinc/91/63/64/375916364.db2.gz XVLMELLEEZIKNR-RHSMWYFYSA-N 0 3 290.407 2.866 20 30 CFEDHN CC[C@@H](C)[C@@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000112381594 375916574 /nfs/dbraw/zinc/91/65/74/375916574.db2.gz XVLMELLEEZIKNR-PBHICJAKSA-N 0 3 290.407 2.866 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000678797201 542071791 /nfs/dbraw/zinc/07/17/91/542071791.db2.gz DYLOGZARLNTCKK-PBHICJAKSA-N 0 3 274.408 2.874 20 30 CFEDHN C=CCCCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000117874577 376264437 /nfs/dbraw/zinc/26/44/37/376264437.db2.gz BBJDMCGGUSYRPM-UHFFFAOYSA-N 0 3 294.361 2.539 20 30 CFEDHN C=CCCCN1CCCN(C(=O)c2cccs2)CC1 ZINC000117883020 376267091 /nfs/dbraw/zinc/26/70/91/376267091.db2.gz OJGWDAZHSRQWFQ-UHFFFAOYSA-N 0 3 278.421 2.862 20 30 CFEDHN CN(CCN(C)c1ccccc1)CCC(C)(C)C#N ZINC000119642699 376446514 /nfs/dbraw/zinc/44/65/14/376446514.db2.gz RGIYZTFHFXYJGE-UHFFFAOYSA-N 0 3 259.397 2.994 20 30 CFEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C)cc1 ZINC000120539998 376636320 /nfs/dbraw/zinc/63/63/20/376636320.db2.gz PRNMINFEHAXKBA-WMZOPIPTSA-N 0 3 299.418 2.844 20 30 CFEDHN N#Cc1cnc(NC[C@@H](c2cccs2)N2CCCC2)cn1 ZINC000120576922 376644732 /nfs/dbraw/zinc/64/47/32/376644732.db2.gz BGFDBHLENKFZPW-ZDUSSCGKSA-N 0 3 299.403 2.659 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1OC)CC(C)C ZINC000120636068 376658771 /nfs/dbraw/zinc/65/87/71/376658771.db2.gz GQALYJBTTFXUDV-UHFFFAOYSA-N 0 3 276.380 2.671 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000678892351 542090004 /nfs/dbraw/zinc/09/00/04/542090004.db2.gz FWQLAPWISNYKAM-JKSUJKDBSA-N 0 3 261.365 2.673 20 30 CFEDHN COCC#CCN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000679220424 542136914 /nfs/dbraw/zinc/13/69/14/542136914.db2.gz KPZVIGBRZSVRMM-SWLSCSKDSA-N 0 3 281.783 2.655 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccccc1OCC ZINC000121354819 376812366 /nfs/dbraw/zinc/81/23/66/376812366.db2.gz NVSRCLQVXJDPNV-UHFFFAOYSA-N 0 3 262.353 2.532 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000121713534 376889874 /nfs/dbraw/zinc/88/98/74/376889874.db2.gz RLTUATJJTACROE-MRXNPFEDSA-N 0 3 297.402 2.567 20 30 CFEDHN CCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000123565750 376956267 /nfs/dbraw/zinc/95/62/67/376956267.db2.gz DVWQYMVVVROZIE-AWEZNQCLSA-N 0 3 273.380 2.664 20 30 CFEDHN C=CCOc1ccccc1CNCCOCC(=C)C ZINC000125779763 377191217 /nfs/dbraw/zinc/19/12/17/377191217.db2.gz SDSPBIAWERPSLB-UHFFFAOYSA-N 0 3 261.365 2.934 20 30 CFEDHN CC1(NCc2ccc(C#N)o2)Cc2ccccc2C1 ZINC000125399332 377152332 /nfs/dbraw/zinc/15/23/32/377152332.db2.gz COGDTRFXCUPYCZ-UHFFFAOYSA-N 0 3 252.317 2.798 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000128081549 377317914 /nfs/dbraw/zinc/31/79/14/377317914.db2.gz OTZWFFQPKAZZTG-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@H](C)C2)CC1 ZINC000127358577 377278145 /nfs/dbraw/zinc/27/81/45/377278145.db2.gz QUCRSVPYHNNLHT-LSDHHAIUSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000128910252 377361572 /nfs/dbraw/zinc/36/15/72/377361572.db2.gz HGPXEVJAUBUDPN-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN CCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000129688314 377460394 /nfs/dbraw/zinc/46/03/94/377460394.db2.gz RQBOXRBHABCMBP-CQSZACIVSA-N 0 3 273.380 2.664 20 30 CFEDHN CCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000129688115 377461464 /nfs/dbraw/zinc/46/14/64/377461464.db2.gz RQBOXRBHABCMBP-AWEZNQCLSA-N 0 3 273.380 2.664 20 30 CFEDHN C#CCCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000130761542 377608479 /nfs/dbraw/zinc/60/84/79/377608479.db2.gz BYDIQNSCXSTDGH-INIZCTEOSA-N 0 3 288.366 2.539 20 30 CFEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccccc1Cl ZINC000131808862 377760877 /nfs/dbraw/zinc/76/08/77/377760877.db2.gz UJCADQHXWHZGKL-LBPRGKRZSA-N 0 3 293.798 2.753 20 30 CFEDHN C=C(C)COc1cc(CN(C)[C@@H]2CCOC2)ccc1OC ZINC000132194447 377813193 /nfs/dbraw/zinc/81/31/93/377813193.db2.gz SNOXGZZKPOWKPS-OAHLLOKOSA-N 0 3 291.391 2.871 20 30 CFEDHN C=CCN1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000132398020 377835676 /nfs/dbraw/zinc/83/56/76/377835676.db2.gz XUOUDSPTGBKYNC-UHFFFAOYSA-N 0 3 276.380 2.766 20 30 CFEDHN C=CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000133016286 377895855 /nfs/dbraw/zinc/89/58/55/377895855.db2.gz TYDCFCJACLZZKZ-HNNXBMFYSA-N 0 3 261.365 2.949 20 30 CFEDHN C=CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000133016286 377895860 /nfs/dbraw/zinc/89/58/60/377895860.db2.gz TYDCFCJACLZZKZ-HNNXBMFYSA-N 0 3 261.365 2.949 20 30 CFEDHN Cc1cn2c(n1)CC[C@@H](N[C@H](C)c1ccc(C#N)s1)C2 ZINC000134852210 378054559 /nfs/dbraw/zinc/05/45/59/378054559.db2.gz NWQZZBBPRLFAHI-VXGBXAGGSA-N 0 3 286.404 2.790 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCCS2)s1 ZINC000135528554 378141250 /nfs/dbraw/zinc/14/12/50/378141250.db2.gz IRICDBYVJLAGCX-LLVKDONJSA-N 0 3 252.408 2.995 20 30 CFEDHN N#Cc1ccc(CNCCCOc2ccccc2)o1 ZINC000135136274 378087849 /nfs/dbraw/zinc/08/78/49/378087849.db2.gz FXDMMIWNSBLITR-UHFFFAOYSA-N 0 3 256.305 2.710 20 30 CFEDHN C=CCCCCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000636140520 383725800 /nfs/dbraw/zinc/72/58/00/383725800.db2.gz WZFBULBURJBCBX-OAHLLOKOSA-N 0 3 264.413 2.866 20 30 CFEDHN COC(=O)[C@@H](C)CN(C)Cc1ccccc1C(C)(C)C#N ZINC000135229809 378101509 /nfs/dbraw/zinc/10/15/09/378101509.db2.gz XQDJNXJNOVLHTP-ZDUSSCGKSA-N 0 3 288.391 2.729 20 30 CFEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@H]1CC[C@@H](C#N)C1 ZINC000328964397 378443871 /nfs/dbraw/zinc/44/38/71/378443871.db2.gz RSRGSTGJSOAHOP-HOSILWTGSA-N 0 3 288.395 2.576 20 30 CFEDHN CC[C@@H](NC(=O)C1CCN(C2CC2)CC1)c1ncc[nH]1 ZINC000328769874 378422891 /nfs/dbraw/zinc/42/28/91/378422891.db2.gz QUXXZYNGLHRJQG-CYBMUJFWSA-N 0 3 276.384 2.692 20 30 CFEDHN C[C@]1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCC(=O)NC1 ZINC000328807679 378426835 /nfs/dbraw/zinc/42/68/35/378426835.db2.gz MFJUUBUDUKSEMH-BBRMVZONSA-N 0 3 293.411 2.716 20 30 CFEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](C2CC2)C1 ZINC000329681468 378480796 /nfs/dbraw/zinc/48/07/96/378480796.db2.gz YFSZWJVEHDQMEX-PWSUYJOCSA-N 0 3 279.384 2.530 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153268551 378483965 /nfs/dbraw/zinc/48/39/65/378483965.db2.gz PKPSDIUZRXUVRW-SOUVJXGZSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000329831939 378502936 /nfs/dbraw/zinc/50/29/36/378502936.db2.gz FTTPWRYVFYRCAU-OLZOCXBDSA-N 0 3 281.400 2.716 20 30 CFEDHN CCN(Cc1cnc2ccc(C#N)cn12)CC(C)C ZINC000153689710 378504034 /nfs/dbraw/zinc/50/40/34/378504034.db2.gz ZVPOUMOIOYJHJL-UHFFFAOYSA-N 0 3 256.353 2.684 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CC(C)C ZINC000153767462 378509651 /nfs/dbraw/zinc/50/96/51/378509651.db2.gz AFLZTWPLQPHXTI-AWEZNQCLSA-N 0 3 254.418 2.777 20 30 CFEDHN CCN1CCC[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000329896518 378510058 /nfs/dbraw/zinc/51/00/58/378510058.db2.gz COBRZIDRFPXWRP-ZDUSSCGKSA-N 0 3 287.363 2.925 20 30 CFEDHN CC1CCC(N(C)CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000330447236 378558294 /nfs/dbraw/zinc/55/82/94/378558294.db2.gz YISLIYVZFVFNOE-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN CNC(=O)c1cccc(CN[C@H](C)[C@]2(C)CCCO2)c1 ZINC000330489580 378569779 /nfs/dbraw/zinc/56/97/79/378569779.db2.gz MAGJJKDLMYDGRA-WBMJQRKESA-N 0 3 276.380 2.668 20 30 CFEDHN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)CN(C)C)c1C(C)C ZINC000330668037 378596111 /nfs/dbraw/zinc/59/61/11/378596111.db2.gz BXNMRZJGPKMGMW-JTQLQIEISA-N 0 3 293.411 2.904 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)c1ccc(C#N)cc1F ZINC000331148689 378640231 /nfs/dbraw/zinc/64/02/31/378640231.db2.gz AADZETRCIHZODO-DETPVDSQSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000331002499 378613287 /nfs/dbraw/zinc/61/32/87/378613287.db2.gz AAWZQYSSBWCXGD-WCFLWFBJSA-N 0 3 262.328 2.509 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc([S@](C)=O)cc1 ZINC000159011185 378679610 /nfs/dbraw/zinc/67/96/10/378679610.db2.gz GVSRFYYSHKVYOG-QGZVFWFLSA-N 0 3 251.395 2.822 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc([S@@](C)=O)cc1 ZINC000159011339 378679869 /nfs/dbraw/zinc/67/98/69/378679869.db2.gz GVSRFYYSHKVYOG-KRWDZBQOSA-N 0 3 251.395 2.822 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1C(C)(C)CC ZINC000156887581 378647906 /nfs/dbraw/zinc/64/79/06/378647906.db2.gz AZPQKKGOOHXHMU-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN CC(C)(C)CN(CC#Cc1ccc(F)cc1)CCCO ZINC000160040751 378744785 /nfs/dbraw/zinc/74/47/85/378744785.db2.gz DPWNBENJNLUYGH-UHFFFAOYSA-N 0 3 277.383 2.908 20 30 CFEDHN C[C@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332177628 378732745 /nfs/dbraw/zinc/73/27/45/378732745.db2.gz MMJNAHMRQOWSSE-FZMZJTMJSA-N 0 3 282.347 2.886 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)nc1 ZINC000160246923 378759681 /nfs/dbraw/zinc/75/96/81/378759681.db2.gz VATIJROPSZSELQ-KSSFIOAISA-N 0 3 292.386 2.886 20 30 CFEDHN CC#CCNC(C)(C)COc1ncccc1C(F)(F)F ZINC000161270962 378833786 /nfs/dbraw/zinc/83/37/86/378833786.db2.gz QIDHEGOWCYICGP-UHFFFAOYSA-N 0 3 286.297 2.871 20 30 CFEDHN N#Cc1cc(CN(C[C@@H]2CCOC2)C2CC2)ccc1F ZINC000160851556 378804202 /nfs/dbraw/zinc/80/42/02/378804202.db2.gz WXZVOGYQRZSHOH-ZDUSSCGKSA-N 0 3 274.339 2.698 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000333141801 378818282 /nfs/dbraw/zinc/81/82/82/378818282.db2.gz YXSWJBHYHJRMOQ-YCPHGPKFSA-N 0 3 289.423 2.592 20 30 CFEDHN CCCCCCCCC(=O)N1CCCN(C)CC1 ZINC000163063366 378952205 /nfs/dbraw/zinc/95/22/05/378952205.db2.gz ZEJVZIPWIUKXMQ-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN CC[C@H](N[C@H](C)CO[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000278629196 194075367 /nfs/dbraw/zinc/07/53/67/194075367.db2.gz GTQYKJGWBWLWBF-XYPHTWIQSA-N 0 3 288.391 2.793 20 30 CFEDHN C[C@@H](CCc1ccc2c(c1)OCO2)NCC(C)(C)C#N ZINC000169279816 379105781 /nfs/dbraw/zinc/10/57/81/379105781.db2.gz YASQPGAWENSHRG-LBPRGKRZSA-N 0 3 274.364 2.876 20 30 CFEDHN CC(C)(C)[C@H](CO)NCC#Cc1ccc(Cl)cc1 ZINC000278736620 194131074 /nfs/dbraw/zinc/13/10/74/194131074.db2.gz LLLKDMMOQCQZHQ-AWEZNQCLSA-N 0 3 265.784 2.688 20 30 CFEDHN CC(C#N)C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000335338478 379119306 /nfs/dbraw/zinc/11/93/06/379119306.db2.gz ZCKAPMCKAVQUBC-WBMJQRKESA-N 0 3 256.349 2.556 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)CCCCCO ZINC000278765769 194145839 /nfs/dbraw/zinc/14/58/39/194145839.db2.gz BXXPLJUTAUTUSX-UHFFFAOYSA-N 0 3 265.784 2.786 20 30 CFEDHN Cc1ccccc1[C@]1(F)CCN(C(=O)C(C)C#N)C1 ZINC000334374843 379183848 /nfs/dbraw/zinc/18/38/48/379183848.db2.gz DADOJNRAIBFFFJ-DOMZBBRYSA-N 0 3 260.312 2.552 20 30 CFEDHN CC[C@H](NCCc1nc(C)no1)c1ccc(C#N)cc1 ZINC000278839625 194178102 /nfs/dbraw/zinc/17/81/02/194178102.db2.gz USMCBAARLJKRRC-AWEZNQCLSA-N 0 3 270.336 2.533 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000264397520 383735022 /nfs/dbraw/zinc/73/50/22/383735022.db2.gz PGUJZVYWLHXWRC-OAHLLOKOSA-N 0 3 291.439 2.682 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000636172337 383735511 /nfs/dbraw/zinc/73/55/11/383735511.db2.gz XARUDCUMWLVIDB-HOCLYGCPSA-N 0 3 276.424 2.818 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H](c2cccnc2)C1 ZINC000335417665 379257024 /nfs/dbraw/zinc/25/70/24/379257024.db2.gz KVECTVVCKIHIQR-KRWDZBQOSA-N 0 3 263.344 2.943 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@]2(CCOC2)C1 ZINC000451911914 383736558 /nfs/dbraw/zinc/73/65/58/383736558.db2.gz RGCJXUSBEYWDHU-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN Cn1cc(CN[C@H]2CCCN(C)c3ccccc32)cc1C#N ZINC000334580366 379568346 /nfs/dbraw/zinc/56/83/46/379568346.db2.gz FXTKTVNTKXOMED-KRWDZBQOSA-N 0 3 294.402 2.958 20 30 CFEDHN CC#CCN1CCC(OCCc2ccccc2)CC1 ZINC000172764602 379641796 /nfs/dbraw/zinc/64/17/96/379641796.db2.gz REZQNOMIGGFQMG-UHFFFAOYSA-N 0 3 257.377 2.733 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1F ZINC000335686539 379720987 /nfs/dbraw/zinc/72/09/87/379720987.db2.gz XTQVDPYFLINHGX-HUUCEWRRSA-N 0 3 288.366 2.946 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000334664591 379733103 /nfs/dbraw/zinc/73/31/03/379733103.db2.gz UWBVHDCIMFHBBQ-ISVAXAHUSA-N 0 3 264.275 2.618 20 30 CFEDHN Cc1cc(CN2CCC[C@H](n3cccn3)C2)ccc1C#N ZINC000335699418 379744447 /nfs/dbraw/zinc/74/44/47/379744447.db2.gz YNAMVFOVVAFPCQ-KRWDZBQOSA-N 0 3 280.375 2.900 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C[C@H](C)CC)CC1 ZINC000173198201 379709705 /nfs/dbraw/zinc/70/97/05/379709705.db2.gz SXLQOPSYAUHISC-KGLIPLIRSA-N 0 3 281.444 2.761 20 30 CFEDHN Cc1cc(CN2CC[C@@H](O)CC(C)(C)C2)ccc1C#N ZINC000334651861 379711310 /nfs/dbraw/zinc/71/13/10/379711310.db2.gz FWUAKXXGQDLBPM-MRXNPFEDSA-N 0 3 272.392 2.850 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000174266033 379854381 /nfs/dbraw/zinc/85/43/81/379854381.db2.gz SNOHGFRIVMLOBS-MRXNPFEDSA-N 0 3 295.386 2.905 20 30 CFEDHN N#Cc1ccc(CNCCCOc2ccc(F)cc2)o1 ZINC000174323432 379865286 /nfs/dbraw/zinc/86/52/86/379865286.db2.gz PRHAIBWYDIFXSW-UHFFFAOYSA-N 0 3 274.295 2.849 20 30 CFEDHN N#Cc1ccc(C2=CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000335748148 379826753 /nfs/dbraw/zinc/82/67/53/379826753.db2.gz QMDMAAANTXCJEG-KRWDZBQOSA-N 0 3 268.360 2.826 20 30 CFEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@H](C)CN1C ZINC000334798086 379924722 /nfs/dbraw/zinc/92/47/22/379924722.db2.gz UMWGLNVNPKVYGG-HUUCEWRRSA-N 0 3 263.429 2.875 20 30 CFEDHN COc1cc(CCNCc2ccc(C#N)o2)ccc1C ZINC000174424622 379883194 /nfs/dbraw/zinc/88/31/94/379883194.db2.gz REBNUWDRCFZJOQ-UHFFFAOYSA-N 0 3 270.332 2.801 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000335102973 379974523 /nfs/dbraw/zinc/97/45/23/379974523.db2.gz LHFMXAOACVMBGO-DZGCQCFKSA-N 0 3 256.349 2.942 20 30 CFEDHN C=CCC1(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)CCCCC1 ZINC000334896962 379939965 /nfs/dbraw/zinc/93/99/65/379939965.db2.gz GWLTXPJNMVZAHM-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000335827451 379954815 /nfs/dbraw/zinc/95/48/15/379954815.db2.gz KWPAAXLQYJEANS-DTWKUNHWSA-N 0 3 252.264 2.644 20 30 CFEDHN C=C(C)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175380769 380054569 /nfs/dbraw/zinc/05/45/69/380054569.db2.gz XLDISFDQHCPLFM-SJKOYZFVSA-N 0 3 251.395 2.993 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)o1 ZINC000335234336 380055490 /nfs/dbraw/zinc/05/54/90/380055490.db2.gz RTQFXULRTADQEA-MRXNPFEDSA-N 0 3 286.375 2.932 20 30 CFEDHN N#CCc1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000335247040 380076303 /nfs/dbraw/zinc/07/63/03/380076303.db2.gz WYJFIBOHDCEFBB-UHFFFAOYSA-N 0 3 270.376 2.755 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000264457761 383742532 /nfs/dbraw/zinc/74/25/32/383742532.db2.gz JLWZQMGSSPSYQB-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN C=CCCCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000175348623 380048833 /nfs/dbraw/zinc/04/88/33/380048833.db2.gz RREAUYPSMGLOOB-UHFFFAOYSA-N 0 3 290.407 2.600 20 30 CFEDHN CC[S@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000175866186 380146280 /nfs/dbraw/zinc/14/62/80/380146280.db2.gz OJQQPXIHYHGSQD-KLRAXDNASA-N 0 3 296.461 2.789 20 30 CFEDHN CCCC[C@H](COC)NCc1cc(C#N)cs1 ZINC000177703802 380370611 /nfs/dbraw/zinc/37/06/11/380370611.db2.gz ODRZBJFHTJOJJJ-GFCCVEGCSA-N 0 3 252.383 2.915 20 30 CFEDHN CC[C@@H]1CCCCN1CCNCc1cc(C#N)cs1 ZINC000177700031 380371129 /nfs/dbraw/zinc/37/11/29/380371129.db2.gz DXJKPSUJJNWCEJ-CQSZACIVSA-N 0 3 277.437 2.974 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000336551201 380456599 /nfs/dbraw/zinc/45/65/99/380456599.db2.gz NLIKJDHOSOFNJV-HUUCEWRRSA-N 0 3 288.366 2.946 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000178578988 380466785 /nfs/dbraw/zinc/46/67/85/380466785.db2.gz MJIXVBQGUHZTFV-HNNXBMFYSA-N 0 3 298.390 2.569 20 30 CFEDHN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000336569303 380481340 /nfs/dbraw/zinc/48/13/40/380481340.db2.gz FKIQXCTWLGKGTG-CQSZACIVSA-N 0 3 299.418 2.654 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1F ZINC000336615872 380554244 /nfs/dbraw/zinc/55/42/44/380554244.db2.gz JROMCMKIKQJQNG-GDBMZVCRSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]3COCC[C@H]32)c1F ZINC000336619460 380560577 /nfs/dbraw/zinc/56/05/77/380560577.db2.gz RKOBHFJXRFOLTB-LSDHHAIUSA-N 0 3 274.339 2.698 20 30 CFEDHN N#CCCCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179734076 380574640 /nfs/dbraw/zinc/57/46/40/380574640.db2.gz BFSBQFKYDQUGQA-INIZCTEOSA-N 0 3 272.348 2.802 20 30 CFEDHN CC[C@@H]1Oc2cc([C@@H](C)NCCCC#N)ccc2NC1=O ZINC000180031047 380611429 /nfs/dbraw/zinc/61/14/29/380611429.db2.gz NVQRJVMUPGVWCY-RISCZKNCSA-N 0 3 287.363 2.750 20 30 CFEDHN CC[C@@H]1Oc2cc([C@H](C)NCCCC#N)ccc2NC1=O ZINC000180031075 380612248 /nfs/dbraw/zinc/61/22/48/380612248.db2.gz NVQRJVMUPGVWCY-FZMZJTMJSA-N 0 3 287.363 2.750 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCN1CC ZINC000180642729 380686527 /nfs/dbraw/zinc/68/65/27/380686527.db2.gz TYYGHMKFALEBQY-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN CC[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000181058610 380732696 /nfs/dbraw/zinc/73/26/96/380732696.db2.gz UUBJFMBIEMEGDH-GOEBONIOSA-N 0 3 257.381 2.667 20 30 CFEDHN N#CC1(C(=O)NC[C@@H]2CCN2C2CCCCC2)CCCC1 ZINC000529719504 383749871 /nfs/dbraw/zinc/74/98/71/383749871.db2.gz OCAGADAWWHPYGX-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN N#Cc1ccc(N2CCCN(CCOC3CCC3)CC2)cc1 ZINC000367890181 380846905 /nfs/dbraw/zinc/84/69/05/380846905.db2.gz FUEHZUHIJMJXPB-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN CCN(CCCCC(=O)OC(C)(C)C)C[C@H](C)C#N ZINC000181649616 380853270 /nfs/dbraw/zinc/85/32/70/380853270.db2.gz IVQBTSRKIFTFLI-CYBMUJFWSA-N 0 3 268.401 2.980 20 30 CFEDHN CC(C)[C@@H](CCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000358559920 380926622 /nfs/dbraw/zinc/92/66/22/380926622.db2.gz DXFGCJIARJEWQQ-IAQYHMDHSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@@H](NCC1=CCN(C)CC1)c1ccc(C#N)cc1F ZINC000358561123 380927653 /nfs/dbraw/zinc/92/76/53/380927653.db2.gz FVPUUAXCHHIOQD-GFCCVEGCSA-N 0 3 273.355 2.610 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CCC ZINC000295483555 380887449 /nfs/dbraw/zinc/88/74/49/380887449.db2.gz JIRKPBKWMZQMTA-MRXNPFEDSA-N 0 3 258.365 2.707 20 30 CFEDHN C[C@H]1CCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279238075 194347118 /nfs/dbraw/zinc/34/71/18/194347118.db2.gz JRUXDEQHYGINBN-FZMZJTMJSA-N 0 3 282.347 2.886 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000368033980 380895577 /nfs/dbraw/zinc/89/55/77/380895577.db2.gz IMNIZUDUNKCNIU-LERXQTSPSA-N 0 3 276.405 2.913 20 30 CFEDHN C[C@H](NCC1(CCO)CCC1)c1ccc(C#N)cc1F ZINC000358562549 380930611 /nfs/dbraw/zinc/93/06/11/380930611.db2.gz GZRQNKXBHWINCU-LBPRGKRZSA-N 0 3 276.355 2.901 20 30 CFEDHN CCC(C)(C)OCCNCc1ccc(C#N)c(F)c1 ZINC000404092646 380900628 /nfs/dbraw/zinc/90/06/28/380900628.db2.gz XACOIEZTNWVXSS-UHFFFAOYSA-N 0 3 264.344 2.992 20 30 CFEDHN CC[C@](C)(CNCc1ccc(C#N)c(F)c1)OC ZINC000404226960 380903572 /nfs/dbraw/zinc/90/35/72/380903572.db2.gz OBLPIHJGJRLQFK-CQSZACIVSA-N 0 3 250.317 2.602 20 30 CFEDHN C#Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000295511893 380905636 /nfs/dbraw/zinc/90/56/36/380905636.db2.gz PYTZJQRNFASVCT-SFHVURJKSA-N 0 3 296.414 2.691 20 30 CFEDHN Cc1cccc([C@@H](NC(=O)C(C)C#N)C(F)(F)F)c1 ZINC000358530264 380906490 /nfs/dbraw/zinc/90/64/90/380906490.db2.gz FQPLOWNQXFKUJB-GXSJLCMTSA-N 0 3 270.254 2.874 20 30 CFEDHN CC(C)(C)[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000408081713 380913964 /nfs/dbraw/zinc/91/39/64/380913964.db2.gz NUBWSPKYFJNOMH-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN COC[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358557477 380924530 /nfs/dbraw/zinc/92/45/30/380924530.db2.gz BUJJSZSZYNZFOS-MNOVXSKESA-N 0 3 250.317 2.630 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000341358827 380965009 /nfs/dbraw/zinc/96/50/09/380965009.db2.gz GRRVSGXHEXOURC-MRXNPFEDSA-N 0 3 298.365 2.538 20 30 CFEDHN COCC#CCN1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000680113174 542280332 /nfs/dbraw/zinc/28/03/32/542280332.db2.gz MWVFJOJENOSIOO-MRXNPFEDSA-N 0 3 257.377 2.743 20 30 CFEDHN C=C(CC)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000358622401 380974170 /nfs/dbraw/zinc/97/41/70/380974170.db2.gz DVZZNPMOQXXXMH-HNNXBMFYSA-N 0 3 291.370 2.988 20 30 CFEDHN COC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358575478 380941373 /nfs/dbraw/zinc/94/13/73/380941373.db2.gz SUMCMDTVYUSNIB-ZUZCIYMTSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@H](NCCc1cccnc1)c1ccc(C#N)cc1F ZINC000358579655 380944259 /nfs/dbraw/zinc/94/42/59/380944259.db2.gz XBYZCIVPRIIDRO-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(CC=C)CC1CCCCC1 ZINC000411252019 381018125 /nfs/dbraw/zinc/01/81/25/381018125.db2.gz ASGGPZGPRXUTBS-AWEZNQCLSA-N 0 3 264.413 2.745 20 30 CFEDHN CC(C)[C@@H](C)NC(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000411225231 381019207 /nfs/dbraw/zinc/01/92/07/381019207.db2.gz RRJSZKAGTQISQM-UONOGXRCSA-N 0 3 279.428 2.551 20 30 CFEDHN N#CC1(CCNC2(C(N)=O)CCCCC2)CCCCC1 ZINC000411396495 381026021 /nfs/dbraw/zinc/02/60/21/381026021.db2.gz XSSMTKDQQIJYLU-UHFFFAOYSA-N 0 3 277.412 2.628 20 30 CFEDHN COc1ccc2c(c1)CCN([C@@H](C)CCC#N)CC2 ZINC000411411821 381026049 /nfs/dbraw/zinc/02/60/49/381026049.db2.gz WAQXCCCLUNJKAU-ZDUSSCGKSA-N 0 3 258.365 2.788 20 30 CFEDHN CCOCCO[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411399307 381026317 /nfs/dbraw/zinc/02/63/17/381026317.db2.gz QXWJGBPGESIKIW-INIZCTEOSA-N 0 3 294.439 2.978 20 30 CFEDHN C=C(C)[C@@H](NC(=O)C(C)C#N)c1ccc(F)c(F)c1 ZINC000358654090 380993466 /nfs/dbraw/zinc/99/34/66/380993466.db2.gz IUPFROJNZDLAQT-TVQRCGJNSA-N 0 3 264.275 2.858 20 30 CFEDHN C#C[C@H](NCc1cc2ccccc2[nH]c1=O)C(C)C ZINC000289594418 381060305 /nfs/dbraw/zinc/06/03/05/381060305.db2.gz UTSZHXFOWPLBTM-AWEZNQCLSA-N 0 3 254.333 2.688 20 30 CFEDHN COCC1(C)CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000358767019 381068631 /nfs/dbraw/zinc/06/86/31/381068631.db2.gz IGJBUFVRQHQHAX-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1ccccc1C#N)C1CC1 ZINC000411952234 381068666 /nfs/dbraw/zinc/06/86/66/381068666.db2.gz RCDKYVSXUGGSQP-MLGOLLRUSA-N 0 3 258.365 2.851 20 30 CFEDHN C[C@@H](CNc1nccc(C#N)c1Cl)N1CCC[C@H](C)C1 ZINC000341532156 381069934 /nfs/dbraw/zinc/06/99/34/381069934.db2.gz NQWXYEJAWBQEHT-RYUDHWBXSA-N 0 3 292.814 2.561 20 30 CFEDHN C=CCC1(C(=O)NCCN(C)CCCC)CCC1 ZINC000358771929 381072149 /nfs/dbraw/zinc/07/21/49/381072149.db2.gz NTMOBJNFVNURNV-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C[C@H](NCCC1(C#N)CCCCC1)c1cnn(C)c1 ZINC000411534305 381033041 /nfs/dbraw/zinc/03/30/41/381033041.db2.gz PDSXUPBIJFDRHH-ZDUSSCGKSA-N 0 3 260.385 2.935 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CC)CC1 ZINC000358787782 381084580 /nfs/dbraw/zinc/08/45/80/381084580.db2.gz ODPNBQZJQNJHHB-HOCLYGCPSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289696049 381108769 /nfs/dbraw/zinc/10/87/69/381108769.db2.gz ILMOZLAPYQSNOF-NWDGAFQWSA-N 0 3 296.798 2.502 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC000354156739 381112883 /nfs/dbraw/zinc/11/28/83/381112883.db2.gz BRSHTTOOPAYWPX-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H](O)C(C)(C)C ZINC000289707646 381113550 /nfs/dbraw/zinc/11/35/50/381113550.db2.gz FNSFOYHJZAIZAO-CQSZACIVSA-N 0 3 251.370 2.717 20 30 CFEDHN CCCCNC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000341634256 381139850 /nfs/dbraw/zinc/13/98/50/381139850.db2.gz JIAYWKYRIUCKFJ-CYBMUJFWSA-N 0 3 273.380 2.515 20 30 CFEDHN C=CC[C@@H](CC)NCc1ncc(C2OCCO2)s1 ZINC000289758029 381140494 /nfs/dbraw/zinc/14/04/94/381140494.db2.gz QGCNLNAMFMVGBF-SNVBAGLBSA-N 0 3 268.382 2.633 20 30 CFEDHN COC(=O)[C@]1(C)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000412114679 381167189 /nfs/dbraw/zinc/16/71/89/381167189.db2.gz YBJJUUIKEZMBTQ-SUMWQHHRSA-N 0 3 286.375 2.894 20 30 CFEDHN CC#CCCNCc1nc2cc(Cl)ccc2n1C ZINC000354182312 381125301 /nfs/dbraw/zinc/12/53/01/381125301.db2.gz YUBMYEWVAHKRRZ-UHFFFAOYSA-N 0 3 261.756 2.730 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000295955187 381180188 /nfs/dbraw/zinc/18/01/88/381180188.db2.gz JNYRBDOGJFOZQE-DJIMGWMZSA-N 0 3 298.386 2.614 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000341711464 381184765 /nfs/dbraw/zinc/18/47/65/381184765.db2.gz WEQBFTCCIQGRAB-SLBVQIDZSA-N 0 3 268.360 2.941 20 30 CFEDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000183060124 381205701 /nfs/dbraw/zinc/20/57/01/381205701.db2.gz FTCVGUNRBIXFBQ-VXGBXAGGSA-N 0 3 259.353 2.521 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000342084503 381210265 /nfs/dbraw/zinc/21/02/65/381210265.db2.gz LMFAWSKFRHKSKK-MELADBBJSA-N 0 3 267.417 2.513 20 30 CFEDHN CC1(C)C[C@@H](O)CCN(CC#Cc2ccccc2)C1 ZINC000296029609 381219379 /nfs/dbraw/zinc/21/93/79/381219379.db2.gz MJUUCCUBYNBNMM-INIZCTEOSA-N 0 3 257.377 2.521 20 30 CFEDHN N#Cc1ccc(OCCN2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000369464261 381267779 /nfs/dbraw/zinc/26/77/79/381267779.db2.gz DSEQZNFZUMQDEW-IRXDYDNUSA-N 0 3 286.375 2.580 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000342278819 381242799 /nfs/dbraw/zinc/24/27/99/381242799.db2.gz CVQKOYWXXYHBSS-CYBMUJFWSA-N 0 3 291.395 2.563 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)cc(C)c1F ZINC000354400917 381245036 /nfs/dbraw/zinc/24/50/36/381245036.db2.gz GEHNBJJRSYMZBZ-LBPRGKRZSA-N 0 3 269.279 2.723 20 30 CFEDHN C=CCCC1(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000354402453 381245527 /nfs/dbraw/zinc/24/55/27/381245527.db2.gz NIYURRPLNKINFH-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)N(C)[C@H](C)C2)c1 ZINC000354447504 381273577 /nfs/dbraw/zinc/27/35/77/381273577.db2.gz OHVFQWAEOCVITA-HUUCEWRRSA-N 0 3 274.408 2.776 20 30 CFEDHN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1ccncn1 ZINC000354460916 381286145 /nfs/dbraw/zinc/28/61/45/381286145.db2.gz GGGOETDXMYTLBO-VIFPVBQESA-N 0 3 275.670 2.759 20 30 CFEDHN C=CC[C@H](CC)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000369753589 381325002 /nfs/dbraw/zinc/32/50/02/381325002.db2.gz FYFXISYMUQDMJR-JSGCOSHPSA-N 0 3 297.395 2.989 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@](CO)(CCC)C2)cc1 ZINC000290229505 381349825 /nfs/dbraw/zinc/34/98/25/381349825.db2.gz SQIKDWWOXUNHGX-KRWDZBQOSA-N 0 3 257.377 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20 30 CFEDHN C[C@H](CNc1cccnc1C#N)N1CCc2ccccc2C1 ZINC000290567262 381482125 /nfs/dbraw/zinc/48/21/25/381482125.db2.gz SUIXLUIRBXXQOB-CQSZACIVSA-N 0 3 292.386 2.812 20 30 CFEDHN C=CCCC[C@@H](C)NCc1cnc(-c2cnn(C)c2)nc1 ZINC000370486092 381455428 /nfs/dbraw/zinc/45/54/28/381455428.db2.gz VYYBSHANSRLSIQ-CYBMUJFWSA-N 0 3 285.395 2.712 20 30 CFEDHN C=CCOCCCN[C@H](CCC)c1nnc2ccccn21 ZINC000348055168 381457875 /nfs/dbraw/zinc/45/78/75/381457875.db2.gz NFFCDBJHMCPIEB-CQSZACIVSA-N 0 3 288.395 2.753 20 30 CFEDHN C[C@@H]1CCCN(CCNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000290511354 381458459 /nfs/dbraw/zinc/45/84/59/381458459.db2.gz LTIPGUUVWAKGQH-GFCCVEGCSA-N 0 3 288.351 2.610 20 30 CFEDHN C=C(CC)CN(C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348109750 381462321 /nfs/dbraw/zinc/46/23/21/381462321.db2.gz VAYDAGNLIQGSKV-UONOGXRCSA-N 0 3 297.443 2.954 20 30 CFEDHN C=C(CC)CN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348109746 381462920 /nfs/dbraw/zinc/46/29/20/381462920.db2.gz VAYDAGNLIQGSKV-KBPBESRZSA-N 0 3 297.443 2.954 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC(=O)C1(C#N)CCC1)c1ccco1 ZINC000359551504 381463567 /nfs/dbraw/zinc/46/35/67/381463567.db2.gz FKSKUMFIBGUAMD-STQMWFEESA-N 0 3 289.379 2.519 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359556283 381467934 /nfs/dbraw/zinc/46/79/34/381467934.db2.gz LXWAHFJZJLTJMJ-INMHGKMJSA-N 0 3 291.439 2.507 20 30 CFEDHN C=CCN1CCC(CN2CCc3ccccc32)CC1 ZINC000348163972 381468179 /nfs/dbraw/zinc/46/81/79/381468179.db2.gz FELHDJGKLBJDSG-UHFFFAOYSA-N 0 3 256.393 2.947 20 30 CFEDHN C=CCOCCCN1CCC(Oc2ncccc2F)CC1 ZINC000348191305 381470592 /nfs/dbraw/zinc/47/05/92/381470592.db2.gz BRNWMOPXEOSCBG-UHFFFAOYSA-N 0 3 294.370 2.657 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000342728328 381503335 /nfs/dbraw/zinc/50/33/35/381503335.db2.gz WHSKDLCMRSYLCM-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCN(C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000342733722 381507385 /nfs/dbraw/zinc/50/73/85/381507385.db2.gz NSQUTSHLCXOZNU-CQSZACIVSA-N 0 3 278.783 2.953 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000342739299 381509741 /nfs/dbraw/zinc/50/97/41/381509741.db2.gz VBPJTZBVBCZTEJ-HZSPNIEDSA-N 0 3 252.402 2.672 20 30 CFEDHN C=C(C)CN(CC)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359616336 381510354 /nfs/dbraw/zinc/51/03/54/381510354.db2.gz ZBYYPZYXYGDRQL-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000342740174 381510916 /nfs/dbraw/zinc/51/09/16/381510916.db2.gz QRYZJZFRUROSSG-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[C@H](NCc1cccc(C#N)c1F)[C@H]1CCCO1 ZINC000348333078 381513657 /nfs/dbraw/zinc/51/36/57/381513657.db2.gz BRVOGFJSJBSTTP-UONOGXRCSA-N 0 3 262.328 2.745 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000342749289 381515888 /nfs/dbraw/zinc/51/58/88/381515888.db2.gz YSFHQFYSJKVXMF-SQWLQELKSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000342720404 381497900 /nfs/dbraw/zinc/49/79/00/381497900.db2.gz LROQGEYACNNHLG-UHFFFAOYSA-N 0 3 292.448 2.875 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000342723904 381502182 /nfs/dbraw/zinc/50/21/82/381502182.db2.gz FFGOBXIGACJYRF-QWRGUYRKSA-N 0 3 284.787 2.579 20 30 CFEDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000354964058 381540508 /nfs/dbraw/zinc/54/05/08/381540508.db2.gz HUDYJWXRAABPQK-HFBAOOFYSA-N 0 3 292.354 2.542 20 30 CFEDHN CC#CCN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296789917 381541481 /nfs/dbraw/zinc/54/14/81/381541481.db2.gz SSESESCXLGFSMG-UHFFFAOYSA-N 0 3 286.419 2.757 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CN1C1CC1 ZINC000290760024 381541878 /nfs/dbraw/zinc/54/18/78/381541878.db2.gz JZBDDQITGICMPH-GWCFXTLKSA-N 0 3 286.335 2.504 20 30 CFEDHN CC1(C)CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348400602 381551897 /nfs/dbraw/zinc/55/18/97/381551897.db2.gz OHZJAMCKTRBKCS-HZPDHXFCSA-N 0 3 295.386 2.935 20 30 CFEDHN CN(C)[C@H](CNc1ncc(C#N)cc1F)Cc1ccccc1 ZINC000413028579 381533342 /nfs/dbraw/zinc/53/33/42/381533342.db2.gz PQTCGRXJPHPIOI-HNNXBMFYSA-N 0 3 298.365 2.677 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC000298149916 381579732 /nfs/dbraw/zinc/57/97/32/381579732.db2.gz CRTIUADYQLLUBF-MRXNPFEDSA-N 0 3 274.408 2.932 20 30 CFEDHN C[C@@H](NCC1(O)Cc2ccccc2C1)c1ccc(C#N)s1 ZINC000371274809 381580247 /nfs/dbraw/zinc/58/02/47/381580247.db2.gz HJZVVRKDDQNVCT-GFCCVEGCSA-N 0 3 298.411 2.800 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348415321 381559826 /nfs/dbraw/zinc/55/98/26/381559826.db2.gz YWUNKBXNVYDWSG-CABCVRRESA-N 0 3 276.428 2.833 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(C(=O)N(C)C)cc1 ZINC000414172245 381567148 /nfs/dbraw/zinc/56/71/48/381567148.db2.gz VWWGRFBDNBIWER-CYBMUJFWSA-N 0 3 287.407 2.979 20 30 CFEDHN CCOC1(C)CCN(CCOc2ccccc2C#N)CC1 ZINC000298395185 381606064 /nfs/dbraw/zinc/60/60/64/381606064.db2.gz WHHSSUGMLBMMRG-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(C#N)o1 ZINC000348555080 381635144 /nfs/dbraw/zinc/63/51/44/381635144.db2.gz ZHKPIBSWKFMURX-STQMWFEESA-N 0 3 262.353 2.667 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1F ZINC000355128057 381631254 /nfs/dbraw/zinc/63/12/54/381631254.db2.gz GZNXSMUNZOUWFA-IMJJTQAJSA-N 0 3 286.350 2.745 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000355143274 381641174 /nfs/dbraw/zinc/64/11/74/381641174.db2.gz ZXYVQLFRSNEFIT-WKPIXPDZSA-N 0 3 276.355 2.846 20 30 CFEDHN N#CCCCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000359851223 381642609 /nfs/dbraw/zinc/64/26/09/381642609.db2.gz WPXIGTSGLPBXFZ-UHFFFAOYSA-N 0 3 299.418 2.983 20 30 CFEDHN C=CC[C@@H](CO)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000298509774 381655835 /nfs/dbraw/zinc/65/58/35/381655835.db2.gz BEVCKYJCVNKMSA-NSHDSACASA-N 0 3 288.347 2.601 20 30 CFEDHN C[C@@H](C(=O)NCCN1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000360013975 381728367 /nfs/dbraw/zinc/72/83/67/381728367.db2.gz CZFFTZJHHLLGCH-LSDHHAIUSA-N 0 3 299.418 2.652 20 30 CFEDHN C[C@@H]1CCC[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360061091 381758387 /nfs/dbraw/zinc/75/83/87/381758387.db2.gz QMFBLSBJVSCITJ-XNRPHZJLSA-N 0 3 285.391 2.501 20 30 CFEDHN CN(C)C[C@@H]1CN(CCCCC#N)c2ccccc2O1 ZINC000372001707 381732795 /nfs/dbraw/zinc/73/27/95/381732795.db2.gz WWZAWLNLJXJQIJ-CQSZACIVSA-N 0 3 273.380 2.509 20 30 CFEDHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000343468819 381735219 /nfs/dbraw/zinc/73/52/19/381735219.db2.gz MNDPOLRABJXMCE-GMTAPVOTSA-N 0 3 250.317 2.771 20 30 CFEDHN Cc1ccnc(N2CCN(CC3CCCCC3)CC2)c1C#N ZINC000343472181 381737079 /nfs/dbraw/zinc/73/70/79/381737079.db2.gz FTEIOVINQCFXQO-UHFFFAOYSA-N 0 3 298.434 2.964 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCC#N)C1 ZINC000360040060 381745242 /nfs/dbraw/zinc/74/52/42/381745242.db2.gz WPQMHWWOJFDWIP-GDBMZVCRSA-N 0 3 285.391 2.632 20 30 CFEDHN Cc1nc(N(C)C[C@@H]2CCCN(C)C2)c(Cl)cc1C#N ZINC000360048437 381749700 /nfs/dbraw/zinc/74/97/00/381749700.db2.gz VBALGSOZTGIJBA-GFCCVEGCSA-N 0 3 292.814 2.693 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360059128 381756883 /nfs/dbraw/zinc/75/68/83/381756883.db2.gz FEXWRISIYVEBJG-DAXOMENPSA-N 0 3 285.391 2.501 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000355281981 381723361 /nfs/dbraw/zinc/72/33/61/381723361.db2.gz YBAGAEDGWBWZPG-NTZNESFSSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccccn1 ZINC000343506106 381758074 /nfs/dbraw/zinc/75/80/74/381758074.db2.gz GBHOEVXLQYSUFP-ZDUSSCGKSA-N 0 3 251.333 2.847 20 30 CFEDHN CC#CCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000291863642 381781473 /nfs/dbraw/zinc/78/14/73/381781473.db2.gz PKTBGGVNCMLHPG-SFHVURJKSA-N 0 3 287.403 2.854 20 30 CFEDHN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000186008693 381800374 /nfs/dbraw/zinc/80/03/74/381800374.db2.gz KEUKLIKSBUGIEN-MRXNPFEDSA-N 0 3 286.419 2.817 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000186008645 381800581 /nfs/dbraw/zinc/80/05/81/381800581.db2.gz SQPIRAVGDNVRRS-OAHLLOKOSA-N 0 3 286.419 2.673 20 30 CFEDHN CC#CCCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000360959312 381795530 /nfs/dbraw/zinc/79/55/30/381795530.db2.gz UOWKNMSUDKFAFQ-UHFFFAOYSA-N 0 3 257.312 2.719 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1C(C)(C)C ZINC000355345970 381761422 /nfs/dbraw/zinc/76/14/22/381761422.db2.gz SAIIXDRRBZJUFU-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN CCC[C@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000185878978 381765004 /nfs/dbraw/zinc/76/50/04/381765004.db2.gz ADJAQIFSNVUWOU-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN CC#CCCN1CCN(Cc2cccc(C)c2)CC1 ZINC000360457622 381780910 /nfs/dbraw/zinc/78/09/10/381780910.db2.gz WJDYICWSRXNBQG-UHFFFAOYSA-N 0 3 256.393 2.526 20 30 CFEDHN CC#CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000361346660 381822220 /nfs/dbraw/zinc/82/22/20/381822220.db2.gz PIQRFQAISUCBCG-RDJZCZTQSA-N 0 3 299.418 2.535 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000361382800 381823483 /nfs/dbraw/zinc/82/34/83/381823483.db2.gz XJUWDFDLKQQCHA-KFWWJZLASA-N 0 3 262.397 2.696 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000361382801 381823825 /nfs/dbraw/zinc/82/38/25/381823825.db2.gz XJUWDFDLKQQCHA-RBSFLKMASA-N 0 3 262.397 2.696 20 30 CFEDHN COCC1(C#N)CCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000361378478 381824164 /nfs/dbraw/zinc/82/41/64/381824164.db2.gz RDEDZKCSBMCBAH-JKSUJKDBSA-N 0 3 270.376 2.795 20 30 CFEDHN COc1cc(C#N)ccc1CN(C(C)C)[C@@H]1CCOC1 ZINC000361407872 381825470 /nfs/dbraw/zinc/82/54/70/381825470.db2.gz ICERGDZFWMDTAX-OAHLLOKOSA-N 0 3 274.364 2.566 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CCCN(C)[C@H]2C)c1C#N ZINC000343599754 381830974 /nfs/dbraw/zinc/83/09/74/381830974.db2.gz PEFHENSSSGSWOB-GXFFZTMASA-N 0 3 278.787 2.810 20 30 CFEDHN COCCOc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000361463509 381831966 /nfs/dbraw/zinc/83/19/66/381831966.db2.gz MHNOCCIBKSRZNV-GOEBONIOSA-N 0 3 288.391 2.884 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000186149685 381835765 /nfs/dbraw/zinc/83/57/65/381835765.db2.gz KOFROFRXBUVBCN-RDJZCZTQSA-N 0 3 298.430 2.673 20 30 CFEDHN CCN(CC1CCC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000361481188 381836272 /nfs/dbraw/zinc/83/62/72/381836272.db2.gz KFVJCDRYUMSDRW-CJNGLKHVSA-N 0 3 279.428 2.551 20 30 CFEDHN C#CCN1CCC(C(=O)NCc2ccc(C(C)C)cc2)CC1 ZINC000299138293 381837586 /nfs/dbraw/zinc/83/75/86/381837586.db2.gz IBRGPTNSERLMPX-UHFFFAOYSA-N 0 3 298.430 2.771 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000361550321 381842765 /nfs/dbraw/zinc/84/27/65/381842765.db2.gz DQMHHDIEEPMVGW-LSDHHAIUSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355781764 381805076 /nfs/dbraw/zinc/80/50/76/381805076.db2.gz KZOHLRSDGRXMDV-QLFBSQMISA-N 0 3 264.413 2.553 20 30 CFEDHN CN(Cc1ccc(C#N)s1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000372398959 381805922 /nfs/dbraw/zinc/80/59/22/381805922.db2.gz YXVWDMLZMPRTBZ-BFHYXJOUSA-N 0 3 276.405 2.865 20 30 CFEDHN C=CCc1cc(CN(CC)[C@@H]2CCOC2)cc(OC)c1O ZINC000361236259 381812184 /nfs/dbraw/zinc/81/21/84/381812184.db2.gz DHEVOVLRXJWYSW-OAHLLOKOSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCOc1ccc(CN(CC)[C@@H]2CCOC2)cc1 ZINC000361235623 381812364 /nfs/dbraw/zinc/81/23/64/381812364.db2.gz DCHDLBDULHIJTR-OAHLLOKOSA-N 0 3 261.365 2.862 20 30 CFEDHN C#CCSCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186070837 381815926 /nfs/dbraw/zinc/81/59/26/381815926.db2.gz MHXVGYYCQOIKRE-SNVBAGLBSA-N 0 3 253.342 2.548 20 30 CFEDHN COCC(C)(C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000343584035 381815933 /nfs/dbraw/zinc/81/59/33/381815933.db2.gz ZQSJNINWJCPLNA-OAHLLOKOSA-N 0 3 288.391 2.548 20 30 CFEDHN C#CCSCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186070816 381816601 /nfs/dbraw/zinc/81/66/01/381816601.db2.gz MHXVGYYCQOIKRE-JTQLQIEISA-N 0 3 253.342 2.548 20 30 CFEDHN C=CC[C@@H](C)NC(=O)CCN1CCc2ccccc2C1 ZINC000416165652 381882015 /nfs/dbraw/zinc/88/20/15/381882015.db2.gz HDUUIVBEBDCLHR-CQSZACIVSA-N 0 3 272.392 2.516 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000416253904 381883540 /nfs/dbraw/zinc/88/35/40/381883540.db2.gz TYCGIAKOFBLIHI-OLZOCXBDSA-N 0 3 294.395 2.649 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)cc1F)C1(CO)CCC1 ZINC000292809970 381846129 /nfs/dbraw/zinc/84/61/29/381846129.db2.gz OMHWPYNIMRRUCF-INIZCTEOSA-N 0 3 290.382 2.974 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2C[C@H]2c2ccccc2)C1=O ZINC000343623722 381850314 /nfs/dbraw/zinc/85/03/14/381850314.db2.gz PJZXGSHMIJCYLT-IKGGRYGDSA-N 0 3 284.403 2.509 20 30 CFEDHN C=C[C@H](CC(=O)NCC1(N(C)C)CC1)c1ccccc1 ZINC000416307124 381885864 /nfs/dbraw/zinc/88/58/64/381885864.db2.gz JBUJGARTCLXKDF-CQSZACIVSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)[C@@H](CO)C2)cc1Cl ZINC000361659335 381855593 /nfs/dbraw/zinc/85/55/93/381855593.db2.gz ZVHVSODFSGGHGN-GXTWGEPZSA-N 0 3 295.810 2.965 20 30 CFEDHN COC1(CCNCc2ccc(C#N)cc2F)CCC1 ZINC000292855640 381866945 /nfs/dbraw/zinc/86/69/45/381866945.db2.gz CEDGAZBGOHLLKZ-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000416005959 381873204 /nfs/dbraw/zinc/87/32/04/381873204.db2.gz JEGBZBVNFHZTIZ-CYBMUJFWSA-N 0 3 259.353 2.766 20 30 CFEDHN CC(C)(C)[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000343710452 381900810 /nfs/dbraw/zinc/90/08/10/381900810.db2.gz DZEAWQCTQLWVDN-CQSZACIVSA-N 0 3 258.365 2.544 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(OC)ccc1F ZINC000292938124 381912683 /nfs/dbraw/zinc/91/26/83/381912683.db2.gz BXWYASBGHPBNKL-BLLLJJGKSA-N 0 3 279.355 2.905 20 30 CFEDHN CC(C#N)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000343739022 381916954 /nfs/dbraw/zinc/91/69/54/381916954.db2.gz YFJIVSXLURMHQZ-ZDUSSCGKSA-N 0 3 256.349 2.675 20 30 CFEDHN C=CCC(C)(C)CNCc1cn(C(C)(C)C)nn1 ZINC000292968375 381927743 /nfs/dbraw/zinc/92/77/43/381927743.db2.gz MCQUZYLESMUYLL-UHFFFAOYSA-N 0 3 250.390 2.725 20 30 CFEDHN C=C(C)CN1CCC(O)(Cc2ccccc2F)CC1 ZINC000373239401 381957843 /nfs/dbraw/zinc/95/78/43/381957843.db2.gz AKYRLVCJJAJDRE-UHFFFAOYSA-N 0 3 263.356 2.771 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@H]1CC[C@H](C)C1 ZINC000362156767 381934054 /nfs/dbraw/zinc/93/40/54/381934054.db2.gz NXUMCMHOFYWBPC-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2c3ccccc3CC[C@H]2CO)C1 ZINC000373211564 381951517 /nfs/dbraw/zinc/95/15/17/381951517.db2.gz VLLKTHDUUGSEFN-GRZALLJUSA-N 0 3 284.403 2.954 20 30 CFEDHN Cn1cc(CN[C@H]2CC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000349848274 381996057 /nfs/dbraw/zinc/99/60/57/381996057.db2.gz ADNIAEWRGAFMEP-CJNGLKHVSA-N 0 3 280.375 2.869 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000362275682 381987682 /nfs/dbraw/zinc/98/76/82/381987682.db2.gz AAOUGAWLUSKWQA-WBVHZDCISA-N 0 3 288.435 2.878 20 30 CFEDHN CC(C)(CO)[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC000293108288 381993041 /nfs/dbraw/zinc/99/30/41/381993041.db2.gz QTBKABHMHDQKRU-INIZCTEOSA-N 0 3 275.367 2.564 20 30 CFEDHN C=CCSc1ccccc1C(=O)NCCN1CCCC1 ZINC000362388015 382044189 /nfs/dbraw/zinc/04/41/89/382044189.db2.gz DLGKPFCBCCJYSV-UHFFFAOYSA-N 0 3 290.432 2.790 20 30 CFEDHN C=CCSc1ccccc1C(=O)NC[C@H]1CCCN1C ZINC000362390442 382045147 /nfs/dbraw/zinc/04/51/47/382045147.db2.gz SRJXTWVIQZWFGX-CYBMUJFWSA-N 0 3 290.432 2.789 20 30 CFEDHN CCOC(=O)[C@H]1CN(CCCCC#N)Cc2ccccc21 ZINC000374401870 382045248 /nfs/dbraw/zinc/04/52/48/382045248.db2.gz DDZXAHPMYYBZRC-INIZCTEOSA-N 0 3 286.375 2.843 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000374505640 382047245 /nfs/dbraw/zinc/04/72/45/382047245.db2.gz NWYZXRSNIAXKED-ULQDDVLXSA-N 0 3 297.402 2.752 20 30 CFEDHN C=CC[C@H](CO)NC/C=C/c1ccc(F)cc1F ZINC000351600684 382047825 /nfs/dbraw/zinc/04/78/25/382047825.db2.gz DOCGYIZUIQBWKI-MASHWEEQSA-N 0 3 253.292 2.505 20 30 CFEDHN C=CC[C@H](CO)NC/C=C\c1ccc(F)cc1F ZINC000351600682 382048164 /nfs/dbraw/zinc/04/81/64/382048164.db2.gz DOCGYIZUIQBWKI-HSBHDXMMSA-N 0 3 253.292 2.505 20 30 CFEDHN C=CC[C@@H](CO)NC/C=C\c1ccc(F)cc1F ZINC000351600681 382048956 /nfs/dbraw/zinc/04/89/56/382048956.db2.gz DOCGYIZUIQBWKI-DXTPNHAXSA-N 0 3 253.292 2.505 20 30 CFEDHN C=CCC[C@H](O)CN(C)CCOc1cccc(Cl)c1 ZINC000351639918 382050812 /nfs/dbraw/zinc/05/08/12/382050812.db2.gz RWNWFNCJBFAPGS-AWEZNQCLSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000351683943 382055401 /nfs/dbraw/zinc/05/54/01/382055401.db2.gz GLXNDOKNPIHKPI-GJZGRUSLSA-N 0 3 281.444 2.905 20 30 CFEDHN N#Cc1ccccc1OCCN1CCCC2(CC2)C1 ZINC000186968556 382060636 /nfs/dbraw/zinc/06/06/36/382060636.db2.gz OFRGBXPWDSAXCB-UHFFFAOYSA-N 0 3 256.349 2.813 20 30 CFEDHN C=CCOc1cccc(CNC[C@H](OC)C2CC2)c1 ZINC000293172161 382017850 /nfs/dbraw/zinc/01/78/50/382017850.db2.gz WGHCXXWMSAICSR-INIZCTEOSA-N 0 3 261.365 2.766 20 30 CFEDHN CN1CCc2cc(CNCc3ccc(C#N)s3)ccc21 ZINC000373520692 382018570 /nfs/dbraw/zinc/01/85/70/382018570.db2.gz IYZILWJPUQVZSG-UHFFFAOYSA-N 0 3 283.400 2.902 20 30 CFEDHN CC(C)[C@]1(CO)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000293218551 382034897 /nfs/dbraw/zinc/03/48/97/382034897.db2.gz XSZCBDLGZPVPKC-QGZVFWFLSA-N 0 3 272.392 2.789 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000375767799 382102177 /nfs/dbraw/zinc/10/21/77/382102177.db2.gz JEXHBVYUOCAIJN-PBHICJAKSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1Cl ZINC000418113471 382127690 /nfs/dbraw/zinc/12/76/90/382127690.db2.gz MEQLHDRFXYWGJY-JNSHFYNHSA-N 0 3 281.783 2.908 20 30 CFEDHN C=CCC[C@@H](O)CN1CCCN(c2ccccc2F)CC1 ZINC000375851208 382107632 /nfs/dbraw/zinc/10/76/32/382107632.db2.gz KXXQSKKSEATBTO-OAHLLOKOSA-N 0 3 292.398 2.665 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(F)cc(Cl)c1 ZINC000362517243 382116485 /nfs/dbraw/zinc/11/64/85/382116485.db2.gz XTVCPOGVNVEXFW-JTQLQIEISA-N 0 3 257.736 2.753 20 30 CFEDHN CCN1CCc2c(cccc2NC(=O)[C@](C)(C#N)CC)C1 ZINC000376057688 382118822 /nfs/dbraw/zinc/11/88/22/382118822.db2.gz NRYMHPFWRZIVIB-KRWDZBQOSA-N 0 3 285.391 2.943 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000293316540 382076717 /nfs/dbraw/zinc/07/67/17/382076717.db2.gz ZMQOHJJLLRSONC-UHFFFAOYSA-N 0 3 293.455 2.928 20 30 CFEDHN N#CCCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375337362 382081641 /nfs/dbraw/zinc/08/16/41/382081641.db2.gz MIQJFMQIVSFPKQ-UHFFFAOYSA-N 0 3 279.334 2.781 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)CCSCC ZINC000362465405 382084750 /nfs/dbraw/zinc/08/47/50/382084750.db2.gz OYXQLLXMVXAKAI-CQSZACIVSA-N 0 3 286.485 2.875 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H](C2CCOCC2)C1 ZINC000375457005 382085700 /nfs/dbraw/zinc/08/57/00/382085700.db2.gz HZRZFSVFOHKSRA-SFHVURJKSA-N 0 3 269.388 2.787 20 30 CFEDHN CCCCCCCN1CCO[C@@]2(CCCOC2)C1 ZINC000375617115 382093148 /nfs/dbraw/zinc/09/31/48/382093148.db2.gz GNQPVXFSRZIIPZ-HNNXBMFYSA-N 0 3 255.402 2.838 20 30 CFEDHN CC(C)(C#N)CCCCN1CCO[C@@]2(CCCOC2)C1 ZINC000375664871 382096854 /nfs/dbraw/zinc/09/68/54/382096854.db2.gz PBKSZPKKRUIHLR-INIZCTEOSA-N 0 3 280.412 2.588 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1C1CC1 ZINC000375732339 382098622 /nfs/dbraw/zinc/09/86/22/382098622.db2.gz QHLLGCLDSCXXJK-AWEZNQCLSA-N 0 3 250.386 2.817 20 30 CFEDHN CC#CCCN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000375749661 382100855 /nfs/dbraw/zinc/10/08/55/382100855.db2.gz GVFQTMABYZOVET-HNNXBMFYSA-N 0 3 273.376 2.952 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC3(CCC3)CC2)CC1 ZINC000376329268 382130113 /nfs/dbraw/zinc/13/01/13/382130113.db2.gz ZJVRWBNVWQHIDL-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000344119284 382141271 /nfs/dbraw/zinc/14/12/71/382141271.db2.gz QVTBLJWOCWSDRD-NZVBXONLSA-N 0 3 276.355 2.846 20 30 CFEDHN C[C@H]1CC[C@H](CN(C)CCOCc2ccc(C#N)cc2)O1 ZINC000344132824 382149331 /nfs/dbraw/zinc/14/93/31/382149331.db2.gz XGYAMMDTZYNKRP-WMLDXEAASA-N 0 3 288.391 2.574 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C(C)(C)C)C1 ZINC000344204411 382196707 /nfs/dbraw/zinc/19/67/07/382196707.db2.gz GYHKIFUIFNRMAZ-KEYYUXOJSA-N 0 3 293.455 2.797 20 30 CFEDHN C=CCN(CCOCCOc1ccccc1)C1CC1 ZINC000357529182 382208924 /nfs/dbraw/zinc/20/89/24/382208924.db2.gz MEZYRKMOHRUKFX-UHFFFAOYSA-N 0 3 261.365 2.732 20 30 CFEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1cc(C#N)cs1 ZINC000344225615 382211876 /nfs/dbraw/zinc/21/18/76/382211876.db2.gz WAASZERWPSNZSQ-SNVBAGLBSA-N 0 3 280.393 2.830 20 30 CFEDHN CN(CCN(C)C1CC1)c1ccc(Cl)cc1C#N ZINC000302283098 382235023 /nfs/dbraw/zinc/23/50/23/382235023.db2.gz VCFMNMXOJXXBSN-UHFFFAOYSA-N 0 3 263.772 2.742 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000345102198 382283761 /nfs/dbraw/zinc/28/37/61/382283761.db2.gz GIVPYRICGWHKDC-QUBYGPBYSA-N 0 3 292.207 2.844 20 30 CFEDHN Cc1cccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000345107957 382284313 /nfs/dbraw/zinc/28/43/13/382284313.db2.gz DWHGGSBOJGTSLO-GJZGRUSLSA-N 0 3 299.418 2.905 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419325660 382286055 /nfs/dbraw/zinc/28/60/55/382286055.db2.gz LHTQHSDGNDBYMT-HUUCEWRRSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@]2(CCCOC2)C1 ZINC000352359500 382288264 /nfs/dbraw/zinc/28/82/64/382288264.db2.gz AZCJDUKTXSGTSK-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN CCCN1CCCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000377374636 382259498 /nfs/dbraw/zinc/25/94/98/382259498.db2.gz YIVCZLKXWODGNL-UHFFFAOYSA-N 0 3 286.379 2.508 20 30 CFEDHN C#CCCCC(=O)Nc1cccc2c1CCN(CC)C2 ZINC000364327846 382306661 /nfs/dbraw/zinc/30/66/61/382306661.db2.gz BABAFENFCJLTEW-UHFFFAOYSA-N 0 3 270.376 2.807 20 30 CFEDHN C=C(C)CCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000352402571 382310461 /nfs/dbraw/zinc/31/04/61/382310461.db2.gz OSMOQIIRWIXLMS-QWRGUYRKSA-N 0 3 251.292 2.588 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](CCC)c1ccccc1 ZINC000293892150 382325018 /nfs/dbraw/zinc/32/50/18/382325018.db2.gz DOVXPPDKXYRFAA-KRWDZBQOSA-N 0 3 286.419 2.642 20 30 CFEDHN C=CCC(C)(C)CNCc1ccc(C(=O)OC)o1 ZINC000293896741 382326006 /nfs/dbraw/zinc/32/60/06/382326006.db2.gz KSYLXJAUAWDPJT-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)s1 ZINC000188038741 382330846 /nfs/dbraw/zinc/33/08/46/382330846.db2.gz DMDMRZIAZNXCNN-HNNXBMFYSA-N 0 3 278.421 2.993 20 30 CFEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)CCC1 ZINC000346172738 382333304 /nfs/dbraw/zinc/33/33/04/382333304.db2.gz CARJTWOROCZRJB-ARFHVFGLSA-N 0 3 290.451 2.922 20 30 CFEDHN CC(C#N)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000346204889 382335863 /nfs/dbraw/zinc/33/58/63/382335863.db2.gz CBQDZYWKLJCBLW-MBNYWOFBSA-N 0 3 274.389 2.851 20 30 CFEDHN CC(C#N)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000346204868 382336202 /nfs/dbraw/zinc/33/62/02/382336202.db2.gz CBQDZYWKLJCBLW-BZPMIXESSA-N 0 3 274.389 2.851 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(N3CCN[C@@H](C)C3)c2c1 ZINC000420240855 382336738 /nfs/dbraw/zinc/33/67/38/382336738.db2.gz RNMCPPFUODZPHI-ZDUSSCGKSA-N 0 3 280.375 2.521 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCc2ccccc2C1 ZINC000357827246 382340762 /nfs/dbraw/zinc/34/07/62/382340762.db2.gz ZPBYDJCXOWFLNC-XJKSGUPXSA-N 0 3 270.376 2.942 20 30 CFEDHN CC(C)C[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346385293 382341800 /nfs/dbraw/zinc/34/18/00/382341800.db2.gz MZYTXXOGDAKGKP-LSDHHAIUSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C#N)C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000345232962 382293699 /nfs/dbraw/zinc/29/36/99/382293699.db2.gz DWZDMELZVNEKHE-HNNXBMFYSA-N 0 3 293.370 2.813 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000377853110 382359439 /nfs/dbraw/zinc/35/94/39/382359439.db2.gz XEBFGIVLEDFRKP-KRWDZBQOSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCOCCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000293978152 382362871 /nfs/dbraw/zinc/36/28/71/382362871.db2.gz DNWJLWOMNZVLON-GJZGRUSLSA-N 0 3 281.783 2.962 20 30 CFEDHN Cn1cc(CN2CCC[C@@H]2COc2ccccc2)cc1C#N ZINC000365246371 382363909 /nfs/dbraw/zinc/36/39/09/382363909.db2.gz ZHUNWLNZHTXFET-MRXNPFEDSA-N 0 3 295.386 2.940 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCN(C3CCCC3)C2)s1 ZINC000377995564 382381816 /nfs/dbraw/zinc/38/18/16/382381816.db2.gz GZNFVOVBFPGUGG-LBPRGKRZSA-N 0 3 275.421 2.726 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)cc1 ZINC000346493542 382386245 /nfs/dbraw/zinc/38/62/45/382386245.db2.gz KFPWEGIKEQTUGN-ZBFHGGJFSA-N 0 3 299.418 2.987 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000352466225 382347834 /nfs/dbraw/zinc/34/78/34/382347834.db2.gz UXELSPMFAPILGE-HNNXBMFYSA-N 0 3 284.359 2.819 20 30 CFEDHN C=CCC[C@H](O)CNC(C)(C)c1nc(C)c(C)s1 ZINC000305074163 382422451 /nfs/dbraw/zinc/42/24/51/382422451.db2.gz KMDIDMHCNKUTDI-LBPRGKRZSA-N 0 3 268.426 2.912 20 30 CFEDHN C=C(CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000294124183 382425014 /nfs/dbraw/zinc/42/50/14/382425014.db2.gz GMZWHVZLKKZMKF-CVEARBPZSA-N 0 3 293.432 2.645 20 30 CFEDHN C=C(CN[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000294124193 382425349 /nfs/dbraw/zinc/42/53/49/382425349.db2.gz GMZWHVZLKKZMKF-HOTGVXAUSA-N 0 3 293.432 2.645 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1cc(C(F)(F)F)cnc1C#N ZINC000420638437 382439904 /nfs/dbraw/zinc/43/99/04/382439904.db2.gz PXONPAHDFYRZDE-NSHDSACASA-N 0 3 298.312 2.502 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000420644537 382442952 /nfs/dbraw/zinc/44/29/52/382442952.db2.gz ZELJCIXBNGXLKB-SNVBAGLBSA-N 0 3 298.312 2.502 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H](O)CC(F)(F)F ZINC000346627422 382443484 /nfs/dbraw/zinc/44/34/84/382443484.db2.gz YDYSSJJGXXUKFQ-LLVKDONJSA-N 0 3 277.286 2.623 20 30 CFEDHN CCN1CCN(CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000352670109 382444624 /nfs/dbraw/zinc/44/46/24/382444624.db2.gz CXFRLZKZXUNRJO-CQSZACIVSA-N 0 3 276.811 2.718 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1oc2c(cccc2C)c1C ZINC000294077871 382406906 /nfs/dbraw/zinc/40/69/06/382406906.db2.gz WKSPVGFNEKCVCI-UHFFFAOYSA-N 0 3 298.386 2.735 20 30 CFEDHN C=CCN(CCOCC(F)(F)C(F)(F)F)C1CC1 ZINC000346550901 382408673 /nfs/dbraw/zinc/40/86/73/382408673.db2.gz UDALHGOSHUNVIM-UHFFFAOYSA-N 0 3 273.245 2.851 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC000420591462 382414147 /nfs/dbraw/zinc/41/41/47/382414147.db2.gz YKBRLIZBCGLYTP-DZGCQCFKSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000365850216 382454002 /nfs/dbraw/zinc/45/40/02/382454002.db2.gz WDPLGYYQMLPHAS-HOCLYGCPSA-N 0 3 296.374 2.621 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358199170 382502141 /nfs/dbraw/zinc/50/21/41/382502141.db2.gz YICIEEKZJPMIBZ-CQSZACIVSA-N 0 3 284.469 2.532 20 30 CFEDHN CC#CCCN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003457 382504322 /nfs/dbraw/zinc/50/43/22/382504322.db2.gz FFNAMVWOGKOEPQ-KBPBESRZSA-N 0 3 265.397 2.700 20 30 CFEDHN CCCN(CCN(C)C)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000346774152 382507103 /nfs/dbraw/zinc/50/71/03/382507103.db2.gz GZEFZEKGYWGDSY-UHFFFAOYSA-N 0 3 299.418 2.656 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN([C@H]2CC[C@H](C#N)C2)C1 ZINC000421021845 382507555 /nfs/dbraw/zinc/50/75/55/382507555.db2.gz OLTPDCJERRJNAT-QPSCCSFWSA-N 0 3 292.423 2.978 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000294318501 382508451 /nfs/dbraw/zinc/50/84/51/382508451.db2.gz XSUDAOUMHGIJPI-JTQLQIEISA-N 0 3 299.201 2.784 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](O)CC[C@H]2C)cc1 ZINC000421376838 382513968 /nfs/dbraw/zinc/51/39/68/382513968.db2.gz QTGSGEHSVJJBSE-UKRRQHHQSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCC[C@H](CO)NCc1nc2ccccc2n1CCC ZINC000320629364 382538454 /nfs/dbraw/zinc/53/84/54/382538454.db2.gz KAYQUQGBMIPDPH-CQSZACIVSA-N 0 3 287.407 2.863 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1nc2ccccc2n1C ZINC000320667563 382538588 /nfs/dbraw/zinc/53/85/88/382538588.db2.gz RRZVNLOJVXJURW-QWHCGFSZSA-N 0 3 273.380 2.551 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(C#N)cc1F ZINC000346866321 382551927 /nfs/dbraw/zinc/55/19/27/382551927.db2.gz BAVJROWAHHAOIA-HERUPUMHSA-N 0 3 262.328 2.507 20 30 CFEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000328623837 382556458 /nfs/dbraw/zinc/55/64/58/382556458.db2.gz ZCHHANNJLOSDGK-UBHSHLNASA-N 0 3 293.411 2.857 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](SC)C1 ZINC000294966788 382556877 /nfs/dbraw/zinc/55/68/77/382556877.db2.gz FJFAQNUHMSJWQW-AWEZNQCLSA-N 0 3 261.390 2.636 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](SC)C1 ZINC000294966793 382557259 /nfs/dbraw/zinc/55/72/59/382557259.db2.gz FJFAQNUHMSJWQW-CQSZACIVSA-N 0 3 261.390 2.636 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCN1CCC ZINC000358308910 382560448 /nfs/dbraw/zinc/56/04/48/382560448.db2.gz HQWBJCASDXGFMQ-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccccc1SCC ZINC000353565647 382561438 /nfs/dbraw/zinc/56/14/38/382561438.db2.gz BIJWNECDOJLPII-RYUDHWBXSA-N 0 3 251.395 2.996 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCC12CCN(C)CC2 ZINC000367351844 382565417 /nfs/dbraw/zinc/56/54/17/382565417.db2.gz QSIALNIFCSSPRL-UHFFFAOYSA-N 0 3 276.424 2.842 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H](C)N2CCCC[C@@H]2C)n1 ZINC000346822801 382530518 /nfs/dbraw/zinc/53/05/18/382530518.db2.gz FHXSEQZZJYGIDI-KBPBESRZSA-N 0 3 272.396 2.937 20 30 CFEDHN Cc1ccnc([C@@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000353634405 382588273 /nfs/dbraw/zinc/58/82/73/382588273.db2.gz VLNCTPMWGLTVCT-CQSZACIVSA-N 0 3 281.359 2.991 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000295219249 382589246 /nfs/dbraw/zinc/58/92/46/382589246.db2.gz MLXQKPVCRUVBKP-INIZCTEOSA-N 0 3 287.403 2.682 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](C)CC(C)(C)O ZINC000395027928 382629053 /nfs/dbraw/zinc/62/90/53/382629053.db2.gz GFKUJBSBEZWBEP-ZDUSSCGKSA-N 0 3 263.381 2.891 20 30 CFEDHN CCOCCOCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000190295704 382661111 /nfs/dbraw/zinc/66/11/11/382661111.db2.gz GHBWYNSUUFZLFH-AWEZNQCLSA-N 0 3 276.380 2.604 20 30 CFEDHN C=C(C)CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190500595 382671375 /nfs/dbraw/zinc/67/13/75/382671375.db2.gz XNUQYHPZHSOSCA-UHFFFAOYSA-N 0 3 250.317 2.640 20 30 CFEDHN COc1cc(CN[C@H]2CS[C@@H](C)C2)ccc1C#N ZINC000397951381 382635160 /nfs/dbraw/zinc/63/51/60/382635160.db2.gz ZUAYJKBYMLAVFY-GXFFZTMASA-N 0 3 262.378 2.550 20 30 CFEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccncc1 ZINC000398951148 382636550 /nfs/dbraw/zinc/63/65/50/382636550.db2.gz DLZRRNWJZCQLDL-CYBMUJFWSA-N 0 3 251.333 2.998 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(N(C)CCOC)nc1 ZINC000191165503 382694105 /nfs/dbraw/zinc/69/41/05/382694105.db2.gz VIWPXOOJJFPYBM-UHFFFAOYSA-N 0 3 277.412 2.562 20 30 CFEDHN CN(CCOc1ccc(F)cc1)Cc1cc(C#N)n(C)c1 ZINC000191194186 382695307 /nfs/dbraw/zinc/69/53/07/382695307.db2.gz UGBOQGYDBBYEMR-UHFFFAOYSA-N 0 3 287.338 2.547 20 30 CFEDHN COc1ccccc1C[C@@H](C)N(C)Cc1cc(C#N)n(C)c1 ZINC000191326183 382698523 /nfs/dbraw/zinc/69/85/23/382698523.db2.gz AVPYTFITCGHHBR-CQSZACIVSA-N 0 3 297.402 2.968 20 30 CFEDHN Cn1cc(CN(C[C@H]2CCCO2)C2CCCC2)cc1C#N ZINC000191402862 382699806 /nfs/dbraw/zinc/69/98/06/382699806.db2.gz GRMWFAUSFNYNRI-QGZVFWFLSA-N 0 3 287.407 2.820 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CCC1 ZINC000191929039 382703463 /nfs/dbraw/zinc/70/34/63/382703463.db2.gz JOMCVVDPMYHNES-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192148400 382705107 /nfs/dbraw/zinc/70/51/07/382705107.db2.gz MIJNJMPDFSNYSU-AEFFLSMTSA-N 0 3 298.430 2.959 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000193354334 382719150 /nfs/dbraw/zinc/71/91/50/382719150.db2.gz UOLZJDYAIFGXFH-TUKIKUTGSA-N 0 3 272.348 2.551 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC=CO1 ZINC000193726920 382723925 /nfs/dbraw/zinc/72/39/25/382723925.db2.gz PSYPUYZFGAQUGG-QGZVFWFLSA-N 0 3 286.375 2.699 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC3(CCCCC3)CC2)C1=O ZINC000337137282 382766269 /nfs/dbraw/zinc/76/62/69/382766269.db2.gz OBEXSNQVTVFTDN-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN CCN(CCCC1(C#N)CCOCC1)C[C@H](C)C#N ZINC000337148085 382768106 /nfs/dbraw/zinc/76/81/06/382768106.db2.gz ZTMCBWTZJBOWJX-CQSZACIVSA-N 0 3 263.385 2.569 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337164535 382769890 /nfs/dbraw/zinc/76/98/90/382769890.db2.gz XTOGKYHLBBSVRP-JKSUJKDBSA-N 0 3 290.382 2.899 20 30 CFEDHN Cc1cccc(CN(C)CCCC2(C#N)CCOCC2)n1 ZINC000337170056 382770756 /nfs/dbraw/zinc/77/07/56/382770756.db2.gz CLYDSSCLDCYJAC-UHFFFAOYSA-N 0 3 287.407 2.922 20 30 CFEDHN CC1CCC(N(C)CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000198203051 382771573 /nfs/dbraw/zinc/77/15/73/382771573.db2.gz LTRZZQIMPCWDKX-UHFFFAOYSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@]1(F)CCN(CCCC2(C#N)CCOCC2)C1 ZINC000337173849 382771685 /nfs/dbraw/zinc/77/16/85/382771685.db2.gz GRZMYXVYJMSEBK-CYBMUJFWSA-N 0 3 254.349 2.521 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H](C(C)(C)C)CC2)C1=O ZINC000337182681 382772888 /nfs/dbraw/zinc/77/28/88/382772888.db2.gz MYFHGWMQCBYZIW-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN Cc1sc(CCNC(=O)C(C)C#N)nc1-c1ccccc1 ZINC000336938495 382744352 /nfs/dbraw/zinc/74/43/52/382744352.db2.gz WDESMBBRLZYFTC-LLVKDONJSA-N 0 3 299.399 2.937 20 30 CFEDHN CCO[C@@H](CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000194462536 382744821 /nfs/dbraw/zinc/74/48/21/382744821.db2.gz NEOUQQPLQHJDLH-KRWDZBQOSA-N 0 3 283.375 2.764 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000337055157 382756364 /nfs/dbraw/zinc/75/63/64/382756364.db2.gz AWMDRPLIFAOESI-ZIAGYGMSSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCSCCNCc1ccccc1NC(C)=O ZINC000228549932 382847686 /nfs/dbraw/zinc/84/76/86/382847686.db2.gz ARJWOBAVEJODGJ-UHFFFAOYSA-N 0 3 264.394 2.654 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(COC)CC1 ZINC000093103706 184650029 /nfs/dbraw/zinc/65/00/29/184650029.db2.gz IGIIPGCJIBWUJQ-UHFFFAOYSA-N 0 3 273.376 2.557 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)C1CC1)C(C)C ZINC000337482181 382828676 /nfs/dbraw/zinc/82/86/76/382828676.db2.gz ZPMXYBRDMNZLSN-HOCLYGCPSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCCOCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000229879809 382853953 /nfs/dbraw/zinc/85/39/53/382853953.db2.gz LHIVVOYRUSXZMU-ZDUSSCGKSA-N 0 3 291.391 2.701 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2C)C1 ZINC000337683334 382855461 /nfs/dbraw/zinc/85/54/61/382855461.db2.gz IYOLEPFUOVCCEP-KRWDZBQOSA-N 0 3 298.430 2.985 20 30 CFEDHN C=CCSCCNCc1ccc(O)c(OCC)c1 ZINC000231933065 382867894 /nfs/dbraw/zinc/86/78/94/382867894.db2.gz VUHXQNHUUPLDDN-UHFFFAOYSA-N 0 3 267.394 2.800 20 30 CFEDHN COc1cc2c(cc1F)CC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000337845096 382871655 /nfs/dbraw/zinc/87/16/55/382871655.db2.gz HKDVMRMDLUDYLL-INIZCTEOSA-N 0 3 299.349 2.822 20 30 CFEDHN CCOC[C@H](NCc1ccc(F)c(C#N)c1)C(C)C ZINC000233778807 382872187 /nfs/dbraw/zinc/87/21/87/382872187.db2.gz COYFGJQXOYXRCF-HNNXBMFYSA-N 0 3 264.344 2.848 20 30 CFEDHN COc1cc(CN2CCCC[C@@H]2C[C@@H](C)O)ccc1C#N ZINC000234968647 382875783 /nfs/dbraw/zinc/87/57/83/382875783.db2.gz XMJDTZKFANMAON-CZUORRHYSA-N 0 3 288.391 2.692 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@H]1C1CCC1 ZINC000578010576 382882584 /nfs/dbraw/zinc/88/25/84/382882584.db2.gz RQJTXQLJQKPASN-AWEZNQCLSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCNC(=O)CNC1(c2ccccc2)CCCCC1 ZINC000440921033 382888787 /nfs/dbraw/zinc/88/87/87/382888787.db2.gz TYNUQBRWXDLPOF-UHFFFAOYSA-N 0 3 272.392 2.738 20 30 CFEDHN C[C@@H]1OCC[C@@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000494216274 382911721 /nfs/dbraw/zinc/91/17/21/382911721.db2.gz NIUBBCBSLUXADA-SWLSCSKDSA-N 0 3 263.768 2.849 20 30 CFEDHN Cc1nccn1CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000338006492 382898155 /nfs/dbraw/zinc/89/81/55/382898155.db2.gz IEQPVRKGALPCSF-LBPRGKRZSA-N 0 3 286.354 2.943 20 30 CFEDHN CC#CCN(C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441220269 382900926 /nfs/dbraw/zinc/90/09/26/382900926.db2.gz BLXIJLJHOGAWDM-ZIAGYGMSSA-N 0 3 279.811 2.977 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(N3CCCCC3)c2)C1 ZINC000442708395 382946605 /nfs/dbraw/zinc/94/66/05/382946605.db2.gz IXEZCPPJSGCUDE-GDBMZVCRSA-N 0 3 284.407 2.854 20 30 CFEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442712942 382948482 /nfs/dbraw/zinc/94/84/82/382948482.db2.gz HWBZYZAZVSNVCE-ZQIUZPCESA-N 0 3 299.418 2.997 20 30 CFEDHN N#CCC1(CNCCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000578741373 382950296 /nfs/dbraw/zinc/95/02/96/382950296.db2.gz UKXVVRYXRPNBNP-UHFFFAOYSA-N 0 3 293.317 2.577 20 30 CFEDHN CN(C)C(=O)c1cccc(CN2CCC(CC#N)CC2)c1 ZINC000541025186 382964687 /nfs/dbraw/zinc/96/46/87/382964687.db2.gz UYZOKDVLMOGELH-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000537478221 382957745 /nfs/dbraw/zinc/95/77/45/382957745.db2.gz RBKQZMMBTYVYRV-AWEZNQCLSA-N 0 3 278.783 2.609 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000442796535 382958139 /nfs/dbraw/zinc/95/81/39/382958139.db2.gz UAQIEAVAUCCIDD-JSGCOSHPSA-N 0 3 272.348 2.630 20 30 CFEDHN N#C[C@H]1CC[C@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000442851370 382961564 /nfs/dbraw/zinc/96/15/64/382961564.db2.gz QUNAMZXFQGLPNB-JSGCOSHPSA-N 0 3 282.347 2.561 20 30 CFEDHN COC(=O)CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442864458 382961821 /nfs/dbraw/zinc/96/18/21/382961821.db2.gz ZQEHFYXYNNMGFK-BPUTZDHNSA-N 0 3 286.375 2.963 20 30 CFEDHN C[C@@H]1CCN(CCC(=O)N(C)CCC#N)[C@@H]2CCCC[C@@H]12 ZINC000540010945 382962175 /nfs/dbraw/zinc/96/21/75/382962175.db2.gz VARQNNLOUGXAJI-OWCLPIDISA-N 0 3 291.439 2.649 20 30 CFEDHN C=C[C@H](CC(=O)NCCN1CC[C@H](C)C1)c1ccccc1 ZINC000533928570 382913289 /nfs/dbraw/zinc/91/32/89/382913289.db2.gz SMIMYNWDTANFRO-JKSUJKDBSA-N 0 3 286.419 2.804 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000533942319 382914525 /nfs/dbraw/zinc/91/45/25/382914525.db2.gz ZHKUKUOVZKCJLP-JKSUJKDBSA-N 0 3 286.419 2.804 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC000494640240 382915623 /nfs/dbraw/zinc/91/56/23/382915623.db2.gz ZZOAMIRPLRBQIX-ZQMJAJRESA-N 0 3 291.391 2.586 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)CN1CCCCCC1 ZINC000338126794 382928077 /nfs/dbraw/zinc/92/80/77/382928077.db2.gz MRGYUPJQOLUXSJ-CQSZACIVSA-N 0 3 299.418 2.861 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC(=O)N(C)C1 ZINC000578597732 382934888 /nfs/dbraw/zinc/93/48/88/382934888.db2.gz USHDFCJKWSEPTK-OAHLLOKOSA-N 0 3 299.418 2.540 20 30 CFEDHN N#CC(C(=O)c1ccnc(C2CC2)c1)c1ccccn1 ZINC000543988960 382975062 /nfs/dbraw/zinc/97/50/62/382975062.db2.gz NUZXWNURJZWGJD-CYBMUJFWSA-N 0 3 263.300 2.844 20 30 CFEDHN CC#CCCCC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000545228544 382976642 /nfs/dbraw/zinc/97/66/42/382976642.db2.gz HVZSBSZLOWJGAL-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000545228485 382976858 /nfs/dbraw/zinc/97/68/58/382976858.db2.gz IPEBSWRWHPTIFS-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN CC#CCCN1CCC[C@@]1(CCC)C(=O)OCC ZINC000444779510 382981370 /nfs/dbraw/zinc/98/13/70/382981370.db2.gz YSBRXNBQQSDSET-HNNXBMFYSA-N 0 3 251.370 2.598 20 30 CFEDHN C=CC[C@@H]1N(C[C@@H](O)C(F)(F)F)CCCC1(C)C ZINC000444788544 382982043 /nfs/dbraw/zinc/98/20/43/382982043.db2.gz WLNWZTKTIITFKK-WDEREUQCSA-N 0 3 265.319 2.976 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NC(C)C)CCCC1(C)C ZINC000444788034 382982281 /nfs/dbraw/zinc/98/22/81/382982281.db2.gz ZTYRFVPOGLBOQE-CYBMUJFWSA-N 0 3 252.402 2.578 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1Cl ZINC000338299050 382982258 /nfs/dbraw/zinc/98/22/58/382982258.db2.gz XSNYZLBUTOHPGH-GHMZBOCLSA-N 0 3 294.782 2.889 20 30 CFEDHN CC(C)[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000446722350 382990502 /nfs/dbraw/zinc/99/05/02/382990502.db2.gz DZJHWJRWGYCZGI-MRXNPFEDSA-N 0 3 299.418 2.911 20 30 CFEDHN CC(C)[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000446732421 382990726 /nfs/dbraw/zinc/99/07/26/382990726.db2.gz RFHQAUNFTCQEQC-GJZGRUSLSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C)[C@@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000446732423 382991669 /nfs/dbraw/zinc/99/16/69/382991669.db2.gz RFHQAUNFTCQEQC-LSDHHAIUSA-N 0 3 291.439 2.695 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000579465682 383018174 /nfs/dbraw/zinc/01/81/74/383018174.db2.gz BBFWXAMKQYRVFK-PVAVHDDUSA-N 0 3 283.375 2.940 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2ccncc2)cc1 ZINC000245561442 383007683 /nfs/dbraw/zinc/00/76/83/383007683.db2.gz CDFBTWBPXIIONJ-ZWKOTPCHSA-N 0 3 293.370 2.824 20 30 CFEDHN C=CCCCCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000447826528 383012406 /nfs/dbraw/zinc/01/24/06/383012406.db2.gz KDBMDTPTHCDBOO-UHFFFAOYSA-N 0 3 281.444 2.764 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1COC(=O)NC(C)C ZINC000495686820 383013484 /nfs/dbraw/zinc/01/34/84/383013484.db2.gz ITFWWIQFJGWZRI-ZDUSSCGKSA-N 0 3 254.374 2.552 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000443644308 382969444 /nfs/dbraw/zinc/96/94/44/382969444.db2.gz XXNYUMNPZABSEE-CABCVRRESA-N 0 3 264.413 2.555 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccnc(C3CC3)c2)nc(C)n1 ZINC000543059592 382971253 /nfs/dbraw/zinc/97/12/53/382971253.db2.gz WTIBSVWQFHOGJV-CQSZACIVSA-N 0 3 292.342 2.856 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000495811748 383029177 /nfs/dbraw/zinc/02/91/77/383029177.db2.gz VNBGWABESMXLSO-GFCCVEGCSA-N 0 3 254.374 2.552 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC000338725550 383030671 /nfs/dbraw/zinc/03/06/71/383030671.db2.gz SUIBTUIYTOWEPK-UKRRQHHQSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1CC#N)N1[C@H](C)CC[C@@H]1C ZINC000580215187 383078238 /nfs/dbraw/zinc/07/82/38/383078238.db2.gz QNFNBKICTMDXHG-HZSPNIEDSA-N 0 3 285.391 2.952 20 30 CFEDHN C=CCCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000447968744 383035772 /nfs/dbraw/zinc/03/57/72/383035772.db2.gz RQBFOWQJXZMHFV-UHFFFAOYSA-N 0 3 275.396 2.514 20 30 CFEDHN C=CCN(CCCNC(=O)OC(C)(C)C)C1CC1 ZINC000495958726 383047828 /nfs/dbraw/zinc/04/78/28/383047828.db2.gz FKFXBYIGZIJNSS-UHFFFAOYSA-N 0 3 254.374 2.552 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@H]1CCc2ccccc2N1 ZINC000579824389 383055883 /nfs/dbraw/zinc/05/58/83/383055883.db2.gz FZPSGDWURIWVKW-GOEBONIOSA-N 0 3 282.391 2.837 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000246088756 383061969 /nfs/dbraw/zinc/06/19/69/383061969.db2.gz JCVOYUMTQLBWPI-CABCVRRESA-N 0 3 278.440 2.991 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000580753240 383079876 /nfs/dbraw/zinc/07/98/76/383079876.db2.gz VYGDYCOSBSMCGV-PVAVHDDUSA-N 0 3 297.402 2.632 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000246316245 383072057 /nfs/dbraw/zinc/07/20/57/383072057.db2.gz CVAQCLXUFXTNQP-UXLLHSPISA-N 0 3 299.418 2.625 20 30 CFEDHN CCN(CC(C)CN(CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000246360161 383073292 /nfs/dbraw/zinc/07/32/92/383073292.db2.gz KRKBHHDFSQHUQB-HUUCEWRRSA-N 0 3 278.444 2.586 20 30 CFEDHN CC(C)CCN(CCC#N)CCCc1cncn1C ZINC000580090995 383077099 /nfs/dbraw/zinc/07/70/99/383077099.db2.gz MXCIQJJPCCJDHM-UHFFFAOYSA-N 0 3 262.401 2.614 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C(=O)OC(C)(C)C ZINC000579468422 383019721 /nfs/dbraw/zinc/01/97/21/383019721.db2.gz BYCHGYOEXINXON-BARDWOONSA-N 0 3 292.423 2.978 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNCc1ccc(C#N)s1 ZINC000447899634 383027903 /nfs/dbraw/zinc/02/79/03/383027903.db2.gz VJMRHLDYLAZJNY-AWEZNQCLSA-N 0 3 277.437 2.830 20 30 CFEDHN CN1CCN(Cc2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000579550662 383027942 /nfs/dbraw/zinc/02/79/42/383027942.db2.gz MVWUSZUHDGMNCW-FUHWJXTLSA-N 0 3 298.434 2.538 20 30 CFEDHN C=C(C)CN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496625844 383122604 /nfs/dbraw/zinc/12/26/04/383122604.db2.gz UUCDLJCTYNLZEJ-OAHLLOKOSA-N 0 3 268.401 2.799 20 30 CFEDHN C=C(C)CCN1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496691982 383123453 /nfs/dbraw/zinc/12/34/53/383123453.db2.gz BRJILTCXOPQPHB-CQSZACIVSA-N 0 3 298.427 2.568 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CCC(C)(C)C2CC2)CC1 ZINC000593968515 383123552 /nfs/dbraw/zinc/12/35/52/383123552.db2.gz OYFSZDCWCYZYIG-INIZCTEOSA-N 0 3 277.456 2.978 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(C#N)cn1 ZINC000554077796 383124551 /nfs/dbraw/zinc/12/45/51/383124551.db2.gz QOTQLFJIZGWLNL-LSDHHAIUSA-N 0 3 273.380 2.637 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496795018 383125240 /nfs/dbraw/zinc/12/52/40/383125240.db2.gz QGGZQXMMBIURCA-RYUDHWBXSA-N 0 3 254.374 2.550 20 30 CFEDHN CC(C)C[C@@H]1C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000457984414 383125786 /nfs/dbraw/zinc/12/57/86/383125786.db2.gz CWNZKLXYNFMPCZ-BRWVUGGUSA-N 0 3 295.386 2.791 20 30 CFEDHN CCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(CC)C1 ZINC000596457162 383127380 /nfs/dbraw/zinc/12/73/80/383127380.db2.gz KWZGMSNOALKMTF-HNNXBMFYSA-N 0 3 286.379 2.506 20 30 CFEDHN C=CCN1CC[C@@H](N2C[C@@H](c3ccccc3)C(C)(C)C2)C1=O ZINC000499553831 383134877 /nfs/dbraw/zinc/13/48/77/383134877.db2.gz STTMDLCZNFBUCB-DLBZAZTESA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCCCN(C)Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449027864 383140995 /nfs/dbraw/zinc/14/09/95/383140995.db2.gz KBWXCCABCUCEFN-UHFFFAOYSA-N 0 3 264.369 2.898 20 30 CFEDHN C=CCCCCN1CCC[C@@H](NC(=O)OCC)C1 ZINC000496286378 383084183 /nfs/dbraw/zinc/08/41/83/383084183.db2.gz VCWYMCGCSUXUEI-CYBMUJFWSA-N 0 3 254.374 2.553 20 30 CFEDHN C=CCCCCCN(C)Cc1cnc2c(C#N)cnn2c1 ZINC000582360778 383087008 /nfs/dbraw/zinc/08/70/08/383087008.db2.gz LSXDRPMJAWQVHJ-UHFFFAOYSA-N 0 3 283.379 2.779 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000582392010 383087220 /nfs/dbraw/zinc/08/72/20/383087220.db2.gz HPMCUGQVIBOICQ-ZYHUDNBSSA-N 0 3 288.351 2.550 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](CNCCC#N)C1 ZINC000496337581 383089401 /nfs/dbraw/zinc/08/94/01/383089401.db2.gz DBIDTXYRIHHVCY-OLZOCXBDSA-N 0 3 281.400 2.573 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N(CC)C[C@@H]1CCCN1CC)OCC ZINC000583583463 383090378 /nfs/dbraw/zinc/09/03/78/383090378.db2.gz JFNYZAFXKIZGRK-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCOCCN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000338964383 383102360 /nfs/dbraw/zinc/10/23/60/383102360.db2.gz ZQOMQHSRLJUJAH-UHFFFAOYSA-N 0 3 288.435 2.785 20 30 CFEDHN Cc1cc(NC[C@@H]2CCCCN2C2CC2)cc(C#N)n1 ZINC000553230794 383102944 /nfs/dbraw/zinc/10/29/44/383102944.db2.gz BETCNJKUJNFVKG-INIZCTEOSA-N 0 3 270.380 2.691 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246806065 383105796 /nfs/dbraw/zinc/10/57/96/383105796.db2.gz SYVBWUFEUMDZIO-GDBMZVCRSA-N 0 3 295.390 2.623 20 30 CFEDHN C[C@@H]1CCN(CCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496510999 383109995 /nfs/dbraw/zinc/10/99/95/383109995.db2.gz GYIVYEWZDBPVDX-KGLIPLIRSA-N 0 3 295.427 2.773 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458260382 383144993 /nfs/dbraw/zinc/14/49/93/383144993.db2.gz HWRNUOCOWBPVLN-UHFFFAOYSA-N 0 3 296.374 2.817 20 30 CFEDHN C=CCNC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000246852951 383112163 /nfs/dbraw/zinc/11/21/63/383112163.db2.gz NBTYVSMWEJUUJK-JSGCOSHPSA-N 0 3 293.436 2.616 20 30 CFEDHN C[C@H](CCC#N)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496543691 383113801 /nfs/dbraw/zinc/11/38/01/383113801.db2.gz UUWDHMHJBAHABK-MGPQQGTHSA-N 0 3 295.427 2.914 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000247437999 383172341 /nfs/dbraw/zinc/17/23/41/383172341.db2.gz IQFUBLBHNMWNNX-RHSMWYFYSA-N 0 3 280.375 2.838 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]2CCC[C@H]21 ZINC000247475137 383175438 /nfs/dbraw/zinc/17/54/38/383175438.db2.gz JOUMCWCWKIXSQU-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000247477962 383175962 /nfs/dbraw/zinc/17/59/62/383175962.db2.gz IRILVTJTKXTFMZ-HZSPNIEDSA-N 0 3 264.413 2.672 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1conc1C)C(C)C ZINC000339180660 383179045 /nfs/dbraw/zinc/17/90/45/383179045.db2.gz BSTVQBYCNZWUPM-INIZCTEOSA-N 0 3 277.412 2.771 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)C1 ZINC000339200855 383183106 /nfs/dbraw/zinc/18/31/06/383183106.db2.gz JJOABUAZZJJCKA-CBBWQLFWSA-N 0 3 260.381 2.712 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000339206559 383183711 /nfs/dbraw/zinc/18/37/11/383183711.db2.gz VRDSOUJAIZHENG-SJORKVTESA-N 0 3 283.375 2.699 20 30 CFEDHN N#CCCOCCN1CCC[C@H](c2ccccc2)C1 ZINC000339219430 383184266 /nfs/dbraw/zinc/18/42/66/383184266.db2.gz XBYNDZGPFKNLLI-INIZCTEOSA-N 0 3 258.365 2.796 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000339255602 383186616 /nfs/dbraw/zinc/18/66/16/383186616.db2.gz LQJWBUKQPRFIMG-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN CC(C)n1cncc1CNCCOc1ccc(C#N)cc1 ZINC000424144550 383189156 /nfs/dbraw/zinc/18/91/56/383189156.db2.gz LRJCCSBRLJIUKC-UHFFFAOYSA-N 0 3 284.363 2.504 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N(CCN(C)C)C1CCCC1)OCC ZINC000339368768 383192519 /nfs/dbraw/zinc/19/25/19/383192519.db2.gz XBSLLELVWXKRPS-MRXNPFEDSA-N 0 3 296.455 2.691 20 30 CFEDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000566706190 383202508 /nfs/dbraw/zinc/20/25/08/383202508.db2.gz XYODEIVZGKPYQO-GFCCVEGCSA-N 0 3 268.364 2.645 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000514940325 383156503 /nfs/dbraw/zinc/15/65/03/383156503.db2.gz OHIVXYQXDAGVML-SJORKVTESA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCN(C)C2)CCCC1 ZINC000562520971 383159036 /nfs/dbraw/zinc/15/90/36/383159036.db2.gz DKZXYHCQLVOXQN-CQSZACIVSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCCCCN[C@@]1(CO)CCOc2ccccc21 ZINC000516394886 383164631 /nfs/dbraw/zinc/16/46/31/383164631.db2.gz IDKUDWXWXULAEW-MRXNPFEDSA-N 0 3 261.365 2.603 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(C#N)cn2)CC12CCC2 ZINC000517038328 383169386 /nfs/dbraw/zinc/16/93/86/383169386.db2.gz XGPZPDFEHKFWFD-ZDUSSCGKSA-N 0 3 255.365 2.965 20 30 CFEDHN CC1(C)CN(Cc2ccc(C#N)cn2)[C@H]2CCC[C@H]21 ZINC000567245957 383255342 /nfs/dbraw/zinc/25/53/42/383255342.db2.gz BQWANAMTHZTZNR-CABCVRRESA-N 0 3 255.365 2.964 20 30 CFEDHN CO[C@@H](CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000449396615 383263053 /nfs/dbraw/zinc/26/30/53/383263053.db2.gz ZNDNFWBNJSSCDA-OAHLLOKOSA-N 0 3 286.400 2.967 20 30 CFEDHN C[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CN1Cc1ccccc1 ZINC000520567582 383263291 /nfs/dbraw/zinc/26/32/91/383263291.db2.gz NQYBXPREHGSMRC-BPQIPLTHSA-N 0 3 296.418 2.683 20 30 CFEDHN C=CCc1cc(CNCC2=CCOCC2)cc(OC)c1O ZINC000449401532 383266099 /nfs/dbraw/zinc/26/60/99/383266099.db2.gz HNEOZUXWTYEXEN-UHFFFAOYSA-N 0 3 289.375 2.566 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1CC ZINC000248602654 383269700 /nfs/dbraw/zinc/26/97/00/383269700.db2.gz AXHDLLKVDDRVGZ-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN CCCC[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000567431533 383274863 /nfs/dbraw/zinc/27/48/63/383274863.db2.gz OSMMLSCCXRJRHJ-ZFWWWQNUSA-N 0 3 267.417 2.551 20 30 CFEDHN COC[C@H](C#N)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000248374559 383230935 /nfs/dbraw/zinc/23/09/35/383230935.db2.gz RMMSVSAXHLPSIH-HIFRSBDPSA-N 0 3 287.407 2.997 20 30 CFEDHN Cc1ncsc1CNCc1ccc(CC#N)cc1 ZINC000567109935 383242053 /nfs/dbraw/zinc/24/20/53/383242053.db2.gz IYDBTZPHJFUXPH-UHFFFAOYSA-N 0 3 257.362 2.807 20 30 CFEDHN C=CCC[C@H](O)CN(C)C[C@@H](C)c1nccs1 ZINC000248438949 383243712 /nfs/dbraw/zinc/24/37/12/383243712.db2.gz CEIKSLRFVAPNRN-NEPJUHHUSA-N 0 3 254.399 2.506 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CN1CCC(C)CC1 ZINC000425130388 383327005 /nfs/dbraw/zinc/32/70/05/383327005.db2.gz NRGSTWFPICFMCC-HNNXBMFYSA-N 0 3 299.418 2.810 20 30 CFEDHN CC1(C)CCCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000567888321 383327444 /nfs/dbraw/zinc/32/74/44/383327444.db2.gz ADWXIEFJRNFKPI-UHFFFAOYSA-N 0 3 283.379 2.613 20 30 CFEDHN CCN1CCCC[C@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425220231 383341738 /nfs/dbraw/zinc/34/17/38/383341738.db2.gz BYIZQIAPYFYFDT-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCCC[C@H](C)N(C)[C@H]1CCCCN(C)C1=O ZINC000634743007 383342050 /nfs/dbraw/zinc/34/20/50/383342050.db2.gz GKJNIQKKPCVHEB-KBPBESRZSA-N 0 3 252.402 2.674 20 30 CFEDHN COC(=O)CC1(NCc2ccccc2C(C)(C)C#N)CC1 ZINC000567995591 383342483 /nfs/dbraw/zinc/34/24/83/383342483.db2.gz PJCBCDJJZJJEDW-UHFFFAOYSA-N 0 3 286.375 2.673 20 30 CFEDHN COc1ccc([C@H](CCO)N[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248717916 383283580 /nfs/dbraw/zinc/28/35/80/383283580.db2.gz CCAMJGLZCQKWRL-UNEWFSDZSA-N 0 3 288.391 2.791 20 30 CFEDHN CC(C)[C@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521252684 383292748 /nfs/dbraw/zinc/29/27/48/383292748.db2.gz MBNJSIQTUNYEPG-NSHDSACASA-N 0 3 261.325 2.943 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339720208 383297009 /nfs/dbraw/zinc/29/70/09/383297009.db2.gz PZPYILPWTAKPKW-GJZGRUSLSA-N 0 3 276.424 2.698 20 30 CFEDHN CC(C)(CO)[C@H](NCc1cccc(C#N)c1F)C1CC1 ZINC000339726671 383299412 /nfs/dbraw/zinc/29/94/12/383299412.db2.gz RIECAWSDYUQBQR-OAHLLOKOSA-N 0 3 276.355 2.584 20 30 CFEDHN C[C@@]12CN(Cc3ccc(C#N)o3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449199 383299856 /nfs/dbraw/zinc/29/98/56/383299856.db2.gz KRIYRIBLMATRDH-KOZAUXTDSA-N 0 3 254.333 2.795 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)o1 ZINC000449451444 383300853 /nfs/dbraw/zinc/30/08/53/383300853.db2.gz IVJMWCGNNBXQCM-ARFHVFGLSA-N 0 3 274.364 2.667 20 30 CFEDHN C=C(C)CN(CC)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000567747844 383310384 /nfs/dbraw/zinc/31/03/84/383310384.db2.gz BITQONFGQFIKKB-QGZVFWFLSA-N 0 3 274.408 2.790 20 30 CFEDHN CO[C@](C)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000449486869 383326474 /nfs/dbraw/zinc/32/64/74/383326474.db2.gz VWQHUZOFGWAQJU-MRXNPFEDSA-N 0 3 270.332 2.803 20 30 CFEDHN CCCO[C@H]1CCCN(CC2(C#N)CCC2)CC1 ZINC000450396235 383393807 /nfs/dbraw/zinc/39/38/07/383393807.db2.gz STTRXHINQWONIJ-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@@H]1CCCC[C@H]1O ZINC000426219566 383395394 /nfs/dbraw/zinc/39/53/94/383395394.db2.gz YNNMBOZVUYJQSW-HZPDHXFCSA-N 0 3 277.795 2.927 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C ZINC000525313595 383400612 /nfs/dbraw/zinc/40/06/12/383400612.db2.gz JAVQKOSTXWXMRW-WFASDCNBSA-N 0 3 296.374 2.787 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000525313593 383400900 /nfs/dbraw/zinc/40/09/00/383400900.db2.gz JAVQKOSTXWXMRW-IUODEOHRSA-N 0 3 296.374 2.787 20 30 CFEDHN CN(C(=O)CN1CC[C@H]2CCC[C@@H]21)C1(C#N)CCCCC1 ZINC000426472851 383401504 /nfs/dbraw/zinc/40/15/04/383401504.db2.gz VYRYLYRINPMJGC-CABCVRRESA-N 0 3 289.423 2.546 20 30 CFEDHN C=CCC1(C(=O)NCC2=CCN(C)CC2)CCCC1 ZINC000450422727 383402703 /nfs/dbraw/zinc/40/27/03/383402703.db2.gz VXTFHGJTAYBWJZ-UHFFFAOYSA-N 0 3 262.397 2.501 20 30 CFEDHN N#CCCCNCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000568503214 383408963 /nfs/dbraw/zinc/40/89/63/383408963.db2.gz FYADSEAVRZRYOV-UHFFFAOYSA-N 0 3 299.296 2.927 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)s1 ZINC000449521162 383353217 /nfs/dbraw/zinc/35/32/17/383353217.db2.gz QYSGGPNYMYCHAM-ZJUUUORDSA-N 0 3 288.210 2.944 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000467429418 383353434 /nfs/dbraw/zinc/35/34/34/383353434.db2.gz XTKHWIOIFKYQLS-SJLPKXTDSA-N 0 3 288.435 2.878 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(CC)s1 ZINC000449546430 383354737 /nfs/dbraw/zinc/35/47/37/383354737.db2.gz BTNNMUYGYRFFGJ-NEPJUHHUSA-N 0 3 252.383 2.529 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc([C@H]2CCCO2)s1 ZINC000449548935 383355564 /nfs/dbraw/zinc/35/55/64/383355564.db2.gz SHZZDWMBVCLEHS-HZSPNIEDSA-N 0 3 294.420 2.818 20 30 CFEDHN C=CCC1(CNCc2nccnc2OC)CCCC1 ZINC000449605762 383357436 /nfs/dbraw/zinc/35/74/36/383357436.db2.gz OEXXOKGUVOHWIM-UHFFFAOYSA-N 0 3 261.369 2.711 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000449695579 383361193 /nfs/dbraw/zinc/36/11/93/383361193.db2.gz FPZXYSSZRNCJGR-GFCCVEGCSA-N 0 3 289.297 2.828 20 30 CFEDHN C=CCC[C@@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000449701477 383362364 /nfs/dbraw/zinc/36/23/64/383362364.db2.gz WSAKMYYRYGHSJQ-LBPRGKRZSA-N 0 3 293.798 2.643 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc2cc(OC)ccc2o1 ZINC000449698462 383362411 /nfs/dbraw/zinc/36/24/11/383362411.db2.gz NSFVFTWMOOMCAC-CYBMUJFWSA-N 0 3 275.348 2.858 20 30 CFEDHN C=C(CC)CNCc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449735183 383363492 /nfs/dbraw/zinc/36/34/92/383363492.db2.gz QCVLVPKBOVJOCG-UHFFFAOYSA-N 0 3 250.342 2.556 20 30 CFEDHN C[C@@H]1C[C@@H](O)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449769480 383365070 /nfs/dbraw/zinc/36/50/70/383365070.db2.gz UTVKNLKHTYFKTK-GDBMZVCRSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000449875866 383368409 /nfs/dbraw/zinc/36/84/09/383368409.db2.gz ZWFWHWBCNREHIH-UHFFFAOYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CCCC1 ZINC000449885926 383369692 /nfs/dbraw/zinc/36/96/92/383369692.db2.gz IEFVRSPSETYQSX-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CC[C@@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449886108 383369843 /nfs/dbraw/zinc/36/98/43/383369843.db2.gz GSWTYYYVSRMVHD-HIFRSBDPSA-N 0 3 264.413 2.864 20 30 CFEDHN COc1ccc(CN(C[C@@H](C)OC)C(C)C)cc1C#N ZINC000340194189 383377971 /nfs/dbraw/zinc/37/79/71/383377971.db2.gz FMCSLRBKRCYZFC-CYBMUJFWSA-N 0 3 276.380 2.812 20 30 CFEDHN C=CCCCCN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000471868938 383379929 /nfs/dbraw/zinc/37/99/29/383379929.db2.gz FAJKYWMJKOMHTH-CQSZACIVSA-N 0 3 280.799 2.682 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000471881020 383380070 /nfs/dbraw/zinc/38/00/70/383380070.db2.gz RMSUGNFVSICLEC-HLPPOEQASA-N 0 3 297.402 2.635 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532254 383383985 /nfs/dbraw/zinc/38/39/85/383383985.db2.gz IVYIZOLRDOZWTG-BBRMVZONSA-N 0 3 258.365 2.878 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000475635231 383387351 /nfs/dbraw/zinc/38/73/51/383387351.db2.gz BEAJPOPYVALPOM-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000450271347 383388283 /nfs/dbraw/zinc/38/82/83/383388283.db2.gz QEKOPNCMLZGRIP-CVEARBPZSA-N 0 3 288.391 2.586 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2ccc(CC#N)cc2)CCN1C ZINC000487980828 383483648 /nfs/dbraw/zinc/48/36/48/383483648.db2.gz MAALRIQBAJUMEF-KRWDZBQOSA-N 0 3 271.408 2.525 20 30 CFEDHN N#Cc1c(F)cccc1CN1CCN(C2CCCC2)CC1 ZINC000428472534 383481603 /nfs/dbraw/zinc/48/16/03/383481603.db2.gz ANDCBEKADSNQRG-UHFFFAOYSA-N 0 3 287.382 2.758 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253088777 383442709 /nfs/dbraw/zinc/44/27/09/383442709.db2.gz FYBDXSLDBZATBN-JHJVBQTASA-N 0 3 288.229 2.911 20 30 CFEDHN OCCN(CC#Cc1ccccc1)CC1CCCCC1 ZINC000483716256 383450647 /nfs/dbraw/zinc/45/06/47/383450647.db2.gz UTJAJMRFUFPSNM-UHFFFAOYSA-N 0 3 271.404 2.913 20 30 CFEDHN CCOC(=O)C[C@@](C)(NCC#Cc1ccccc1)C(C)C ZINC000483695036 383450925 /nfs/dbraw/zinc/45/09/25/383450925.db2.gz FCLFEFNARKQCSL-GOSISDBHSA-N 0 3 287.403 2.996 20 30 CFEDHN C=CCN(CC(=O)NCC1CCC1)CC1CCCCC1 ZINC000484691721 383457635 /nfs/dbraw/zinc/45/76/35/383457635.db2.gz UPDFJFVIZTXHCC-UHFFFAOYSA-N 0 3 278.440 2.971 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1cccc(F)c1C#N ZINC000428377728 383461380 /nfs/dbraw/zinc/46/13/80/383461380.db2.gz VFXMHFZBHWECQF-UHFFFAOYSA-N 0 3 286.354 2.724 20 30 CFEDHN CC[C@@]1(O)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000428424646 383469678 /nfs/dbraw/zinc/46/96/78/383469678.db2.gz BDQAXEBLXRBYIM-QGZVFWFLSA-N 0 3 288.391 2.716 20 30 CFEDHN Cc1cc(CNCC(C)(C)C(=O)N2CCCC2)ccc1C#N ZINC000527811510 383471505 /nfs/dbraw/zinc/47/15/05/383471505.db2.gz JWTAKPJEMMGDDW-UHFFFAOYSA-N 0 3 299.418 2.605 20 30 CFEDHN Cc1cc(CNCc2cccnc2C)ccc1C#N ZINC000527793132 383471582 /nfs/dbraw/zinc/47/15/82/383471582.db2.gz FBYZRAKHRVVMMB-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)CC1CCN(C)CC1 ZINC000487162233 383477029 /nfs/dbraw/zinc/47/70/29/383477029.db2.gz RVBQQVRWEWEMHZ-UHFFFAOYSA-N 0 3 290.407 2.569 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@]2(C)CCCO2)ccc1C#N ZINC000340397749 383417142 /nfs/dbraw/zinc/41/71/42/383417142.db2.gz VMVGORDUFBJJAF-LRDDRELGSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)[C@@H](CC)N(CC)CC ZINC000428036915 383420089 /nfs/dbraw/zinc/42/00/89/383420089.db2.gz RYYUOYURKSHRQO-UONOGXRCSA-N 0 3 252.402 2.674 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(C#N)c1 ZINC000341052738 383545317 /nfs/dbraw/zinc/54/53/17/383545317.db2.gz FOVVTDDNBTXFAF-OKILXGFUSA-N 0 3 285.391 2.551 20 30 CFEDHN C[C@H]1CC[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000429569013 383548590 /nfs/dbraw/zinc/54/85/90/383548590.db2.gz RLCBNGZYHVWDOB-LSDHHAIUSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@H]1CCC[C@H]1C ZINC000488020058 383487593 /nfs/dbraw/zinc/48/75/93/383487593.db2.gz BESRHQDSTUYZTL-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000340812897 383495621 /nfs/dbraw/zinc/49/56/21/383495621.db2.gz FFEVORPDFCGNEV-PBHICJAKSA-N 0 3 299.418 2.685 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC23CCCC3)CC1 ZINC000428619658 383498162 /nfs/dbraw/zinc/49/81/62/383498162.db2.gz DPCPJLSIMLSVMQ-OAHLLOKOSA-N 0 3 291.439 2.659 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc2ccc(F)cc2s1 ZINC000428850500 383499472 /nfs/dbraw/zinc/49/94/72/383499472.db2.gz NCLSUYSBHPPGOQ-SNVBAGLBSA-N 0 3 280.368 2.710 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1cccc(C#N)c1F ZINC000340913796 383502052 /nfs/dbraw/zinc/50/20/52/383502052.db2.gz KPLKKBYJNLPLNA-UHFFFAOYSA-N 0 3 286.354 2.724 20 30 CFEDHN CC(C)CCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000429346779 383521515 /nfs/dbraw/zinc/52/15/15/383521515.db2.gz GYHYQWOPULXOIE-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C=C(C)CCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429377074 383526385 /nfs/dbraw/zinc/52/63/85/383526385.db2.gz CACLNQFNENXNJG-OKILXGFUSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CCCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429389366 383527230 /nfs/dbraw/zinc/52/72/30/383527230.db2.gz VEEXJXLULHZSQQ-KBPBESRZSA-N 0 3 266.429 2.920 20 30 CFEDHN CCn1nc(C)c(CNCc2ccc(CC#N)cc2)c1C ZINC000569693146 383527681 /nfs/dbraw/zinc/52/76/81/383527681.db2.gz WUNOCIYWYDRIKV-UHFFFAOYSA-N 0 3 282.391 2.876 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000429835401 383572283 /nfs/dbraw/zinc/57/22/83/383572283.db2.gz ARLGQLACCUIRJI-ZIAGYGMSSA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1CCC#N ZINC000528604624 383588490 /nfs/dbraw/zinc/58/84/90/383588490.db2.gz GICKQOQXGKSJDJ-QGZVFWFLSA-N 0 3 271.408 2.742 20 30 CFEDHN C[C@H](N(C)Cc1ccc(C#N)cc1OC(F)F)C(C)(C)O ZINC000451362445 383597829 /nfs/dbraw/zinc/59/78/29/383597829.db2.gz PMCPLWWPFWIWPV-JTQLQIEISA-N 0 3 298.333 2.751 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCO2 ZINC000430745129 383598524 /nfs/dbraw/zinc/59/85/24/383598524.db2.gz XOVMEPIGRGHMNE-LBPRGKRZSA-N 0 3 272.348 2.802 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(F)cc2C#N)[C@H]2CCCO[C@@H]21 ZINC000451481440 383624887 /nfs/dbraw/zinc/62/48/87/383624887.db2.gz UCYSIKUUOMZKRD-OAGGEKHMSA-N 0 3 288.366 2.991 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cccc(C#N)c1F ZINC000528768530 383631250 /nfs/dbraw/zinc/63/12/50/383631250.db2.gz WGORBJSGUMBBNB-JNIYBQFBSA-N 0 3 262.328 2.599 20 30 CFEDHN CC(C)CNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433018146 383752887 /nfs/dbraw/zinc/75/28/87/383752887.db2.gz FGONKYVQQLQLRB-INIZCTEOSA-N 0 3 287.407 2.783 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](CCCC#N)c2ccccc2)C1=O ZINC000433026601 383752931 /nfs/dbraw/zinc/75/29/31/383752931.db2.gz GTMNLGWEFRUUOL-DLBZAZTESA-N 0 3 297.402 2.798 20 30 CFEDHN C=C(CC)CN1CCC(CO)(c2ccccc2)CC1 ZINC000433071629 383753948 /nfs/dbraw/zinc/75/39/48/383753948.db2.gz ZHKUFPDTWNMSNA-UHFFFAOYSA-N 0 3 259.393 2.979 20 30 CFEDHN C[C@@H]1C[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222364 383756598 /nfs/dbraw/zinc/75/65/98/383756598.db2.gz YLORTSKMODUPMQ-YUELXQCFSA-N 0 3 256.349 2.531 20 30 CFEDHN CCCOc1ccc2c(c1)CCN(C(=O)C(C)C#N)C2 ZINC000435708877 383779499 /nfs/dbraw/zinc/77/94/99/383779499.db2.gz LTJWMFPKWVDPSP-LBPRGKRZSA-N 0 3 272.348 2.520 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434355450 383768130 /nfs/dbraw/zinc/76/81/30/383768130.db2.gz NDWALTKBIRWQGR-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@]2(C)CO)cc1OC ZINC000530464069 383770452 /nfs/dbraw/zinc/77/04/52/383770452.db2.gz HZSGGZNDGYDOHK-QGZVFWFLSA-N 0 3 291.391 2.607 20 30 CFEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1nc2ccccc2[nH]1 ZINC000528911349 383675038 /nfs/dbraw/zinc/67/50/38/383675038.db2.gz XSBARCYNDYPHJI-GFCCVEGCSA-N 0 3 291.314 2.584 20 30 CFEDHN CC#CCN(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000645985528 383812660 /nfs/dbraw/zinc/81/26/60/383812660.db2.gz FSEQWTNQHGFWOA-KRWDZBQOSA-N 0 3 257.377 2.673 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1nnc(C)c(C)c1C#N ZINC000265027662 383818153 /nfs/dbraw/zinc/81/81/53/383818153.db2.gz ZKJMHKRYQFWPTB-AWEZNQCLSA-N 0 3 287.411 2.642 20 30 CFEDHN COc1cc(CN[C@H]2C[C@@H](OC)C23CCC3)ccc1C#N ZINC000453264163 383821543 /nfs/dbraw/zinc/82/15/43/383821543.db2.gz ZPYOIKYLJRDGSG-JKSUJKDBSA-N 0 3 286.375 2.614 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000435972529 383782575 /nfs/dbraw/zinc/78/25/75/383782575.db2.gz QPJKRKHIWDLXDF-PTOFAABTSA-N 0 3 293.164 2.581 20 30 CFEDHN C[C@H](CNc1ccc(C#N)cn1)N(C)Cc1ccccc1 ZINC000264824887 383787167 /nfs/dbraw/zinc/78/71/67/383787167.db2.gz YLLXZVJRTUPLOI-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN CC(C)(C)CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000264919289 383802103 /nfs/dbraw/zinc/80/21/03/383802103.db2.gz QZLQTBOCBNKOFC-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C[C@@H](NC[C@@H](C)CCCO)c1ccc(C#N)cc1F ZINC000453282071 383836270 /nfs/dbraw/zinc/83/62/70/383836270.db2.gz TXYOUDUHUGIFAU-NWDGAFQWSA-N 0 3 264.344 2.757 20 30 CFEDHN C=CCOCCN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646082914 383855154 /nfs/dbraw/zinc/85/51/54/383855154.db2.gz MWNXJTKJQRYIDU-QGZVFWFLSA-N 0 3 287.403 2.849 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000573035762 383861014 /nfs/dbraw/zinc/86/10/14/383861014.db2.gz PYGONPMCXIEUQX-ZBFHGGJFSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C[C@@H](CC(=O)NC1(CN(C)C)CCC1)c1ccccc1 ZINC000280994062 195061748 /nfs/dbraw/zinc/06/17/48/195061748.db2.gz CPHZRIMOGJOCDZ-HNNXBMFYSA-N 0 3 286.419 2.947 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC[C@@H]1CCCO1 ZINC000573114254 383874204 /nfs/dbraw/zinc/87/42/04/383874204.db2.gz MGKYDRLPCPULIZ-PBHICJAKSA-N 0 3 288.391 2.747 20 30 CFEDHN CCCC[C@H](CC)CCN1CCN(CC#N)CC1 ZINC000437605599 383907493 /nfs/dbraw/zinc/90/74/93/383907493.db2.gz RXLWHSJFBAXUNP-HNNXBMFYSA-N 0 3 251.418 2.734 20 30 CFEDHN C=CCCCCN(CCOC)Cc1c(C)nn(C)c1C ZINC000573334149 383913856 /nfs/dbraw/zinc/91/38/56/383913856.db2.gz BJDQGJYWGIOGSH-UHFFFAOYSA-N 0 3 279.428 2.842 20 30 CFEDHN N#CCCNC1CCN(c2nc3ccccc3s2)CC1 ZINC000573358798 383915989 /nfs/dbraw/zinc/91/59/89/383915989.db2.gz UAEBQKRXQQSHRE-UHFFFAOYSA-N 0 3 286.404 2.768 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@H](CC)N(CC)CC)c1 ZINC000265482259 383929084 /nfs/dbraw/zinc/92/90/84/383929084.db2.gz VKXKJDNELOZZQY-HNNXBMFYSA-N 0 3 258.365 2.727 20 30 CFEDHN CN(C)[C@H](CNc1cccc(C#N)n1)c1cccs1 ZINC000265560005 383944976 /nfs/dbraw/zinc/94/49/76/383944976.db2.gz SJYHZXGPUYGIEG-GFCCVEGCSA-N 0 3 272.377 2.730 20 30 CFEDHN C[C@H](CNc1cccc(C#N)n1)N(C)Cc1ccccc1 ZINC000265567606 383945893 /nfs/dbraw/zinc/94/58/93/383945893.db2.gz UKWJDQCGSDWCGH-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@@H](NCC1([S@](C)=O)CCC1)c1ccc(C#N)c(F)c1 ZINC000281094702 195101210 /nfs/dbraw/zinc/10/12/10/195101210.db2.gz QGDHTRWUQFPBTG-GIPWTMENSA-N 0 3 294.395 2.649 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000266041240 384062306 /nfs/dbraw/zinc/06/23/06/384062306.db2.gz VWMRWEFRYHMSJX-DZGCQCFKSA-N 0 3 260.381 2.664 20 30 CFEDHN COc1ccc(CN[C@H]2CCCC[C@H]2OC)cc1C#N ZINC000266149697 384093480 /nfs/dbraw/zinc/09/34/80/384093480.db2.gz JZSYHZWLYLBURB-GOEBONIOSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)NCC1=CCN(C)CC1 ZINC000637620245 384136720 /nfs/dbraw/zinc/13/67/20/384136720.db2.gz ASUQCRAPVQKQMU-UHFFFAOYSA-N 0 3 279.428 2.540 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC=C(c3ccccn3)C2)C1 ZINC000574999489 384174126 /nfs/dbraw/zinc/17/41/26/384174126.db2.gz GUAUTBDDJDMBTD-DZGCQCFKSA-N 0 3 253.349 2.863 20 30 CFEDHN C#CCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000277369382 384281140 /nfs/dbraw/zinc/28/11/40/384281140.db2.gz BKXCSFRPOQJEMO-KRWDZBQOSA-N 0 3 284.403 2.523 20 30 CFEDHN C=CCCCC(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000267107910 384300701 /nfs/dbraw/zinc/30/07/01/384300701.db2.gz BDGCLUDBCMTUFJ-UHFFFAOYSA-N 0 3 290.411 2.835 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(OCCCC)cc1 ZINC000641769028 384335000 /nfs/dbraw/zinc/33/50/00/384335000.db2.gz OFBAHUMWZGPUOL-INIZCTEOSA-N 0 3 275.392 2.729 20 30 CFEDHN C=CCC[C@H](CO)NCc1cccc(F)c1OC(F)F ZINC000641759758 384325321 /nfs/dbraw/zinc/32/53/21/384325321.db2.gz IRIYJQPGLHSGRG-LLVKDONJSA-N 0 3 289.297 2.844 20 30 CFEDHN C=CCC[C@H](CO)NCc1conc1Cc1ccccc1 ZINC000641760597 384326553 /nfs/dbraw/zinc/32/65/53/384326553.db2.gz VANBEUTZJDWOHY-MRXNPFEDSA-N 0 3 286.375 2.682 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(F)ccc1OC(F)F ZINC000641760769 384326933 /nfs/dbraw/zinc/32/69/33/384326933.db2.gz VYTDFYYYTLACEM-GFCCVEGCSA-N 0 3 289.297 2.844 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cn(C)nc1C1CCCCC1 ZINC000641759937 384326950 /nfs/dbraw/zinc/32/69/50/384326950.db2.gz KIHLJOXUBDXMNH-INIZCTEOSA-N 0 3 291.439 2.885 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccccc1OCC(C)C ZINC000641767811 384333479 /nfs/dbraw/zinc/33/34/79/384333479.db2.gz RDHQWFZVMDHRQT-INIZCTEOSA-N 0 3 275.392 2.585 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc(-c2ccccn2)c1 ZINC000641767334 384333609 /nfs/dbraw/zinc/33/36/09/384333609.db2.gz IZQICWIRCSEYQG-QGZVFWFLSA-N 0 3 280.371 2.613 20 30 CFEDHN CC#CC[C@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000641768764 384334554 /nfs/dbraw/zinc/33/45/54/384334554.db2.gz HJEUCDYPYSRTDC-CQSZACIVSA-N 0 3 286.400 2.674 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000641768055 384334764 /nfs/dbraw/zinc/33/47/64/384334764.db2.gz VLLWDPCTAZPHDX-NSHDSACASA-N 0 3 289.272 2.708 20 30 CFEDHN C#C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000289396321 197327254 /nfs/dbraw/zinc/32/72/54/197327254.db2.gz OCPDCNBQFBHQFP-RCQQVGEISA-N 0 3 258.321 2.855 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1nncs1)C(C)C ZINC000267915087 384488125 /nfs/dbraw/zinc/48/81/25/384488125.db2.gz HDXUGFDGYOWPQZ-GFCCVEGCSA-N 0 3 266.414 2.649 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000278170854 384489726 /nfs/dbraw/zinc/48/97/26/384489726.db2.gz CKIKYTMUWYPHDV-CZUORRHYSA-N 0 3 287.407 2.904 20 30 CFEDHN C#C[C@H](NCc1c[nH]c(-c2ccccc2)n1)C(C)C ZINC000289400647 197329977 /nfs/dbraw/zinc/32/99/77/197329977.db2.gz OPSPDKMVXRHMCX-HNNXBMFYSA-N 0 3 253.349 2.824 20 30 CFEDHN C#C[C@H](NCc1cnc(-c2ccccc2)[nH]1)C(C)C ZINC000289400647 197329978 /nfs/dbraw/zinc/32/99/78/197329978.db2.gz OPSPDKMVXRHMCX-HNNXBMFYSA-N 0 3 253.349 2.824 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)C(C)C ZINC000289319132 197295460 /nfs/dbraw/zinc/29/54/60/197295460.db2.gz FNNUJLAHIOPCCW-OAHLLOKOSA-N 0 3 271.339 2.963 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccccc1)C(C)C ZINC000289317681 197295051 /nfs/dbraw/zinc/29/50/51/197295051.db2.gz FKWPSDZWGBXVNI-MRXNPFEDSA-N 0 3 267.376 2.835 20 30 CFEDHN C#C[C@H](NCc1ccc(Cl)cc1-n1cncn1)C(C)C ZINC000289336272 197300455 /nfs/dbraw/zinc/30/04/55/197300455.db2.gz HFVFDMNFSWGDON-AWEZNQCLSA-N 0 3 288.782 2.668 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000638407900 384627677 /nfs/dbraw/zinc/62/76/77/384627677.db2.gz CVXKBEQOAVAZBK-ZIAGYGMSSA-N 0 3 252.402 2.565 20 30 CFEDHN C=CCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000279683417 384723063 /nfs/dbraw/zinc/72/30/63/384723063.db2.gz FMPAQVSVMKDQRK-OAHLLOKOSA-N 0 3 276.355 2.701 20 30 CFEDHN C=CCCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000279568563 384681128 /nfs/dbraw/zinc/68/11/28/384681128.db2.gz OFSBVOUFZDMZAH-INIZCTEOSA-N 0 3 287.407 2.526 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1ncnn1-c1ccccc1 ZINC000279630399 384701015 /nfs/dbraw/zinc/70/10/15/384701015.db2.gz YZLUXYRORVRKCG-KGLIPLIRSA-N 0 3 270.380 2.958 20 30 CFEDHN C=CCC(CC=C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638666112 384820134 /nfs/dbraw/zinc/82/01/34/384820134.db2.gz CKOXORQQBFOQQF-UHFFFAOYSA-N 0 3 286.375 2.876 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638671964 384825996 /nfs/dbraw/zinc/82/59/96/384825996.db2.gz VPDKNWMBFONGSQ-LBPRGKRZSA-N 0 3 274.364 2.709 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@H]1NCC1(C)C ZINC000643978729 384800108 /nfs/dbraw/zinc/80/01/08/384800108.db2.gz YKVXBZPWDZWURR-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C#Cc1ccc(CNC[C@H](c2ccco2)N(C)C)cc1 ZINC000289289074 197286292 /nfs/dbraw/zinc/28/62/92/197286292.db2.gz PLFLDWRKVYGYLM-MRXNPFEDSA-N 0 3 268.360 2.653 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000269704285 384843990 /nfs/dbraw/zinc/84/39/90/384843990.db2.gz NAWBBTNYHGOVBP-HOTGVXAUSA-N 0 3 288.391 2.692 20 30 CFEDHN N#Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000269738280 384857039 /nfs/dbraw/zinc/85/70/39/384857039.db2.gz WISQFPZFCORJTJ-QGZVFWFLSA-N 0 3 297.402 2.581 20 30 CFEDHN C#CCCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000269940210 384913594 /nfs/dbraw/zinc/91/35/94/384913594.db2.gz ZRVCVFKBKNQKDJ-AWEZNQCLSA-N 0 3 259.349 2.864 20 30 CFEDHN C=C(CNC[C@@](C)(O)C(F)(F)F)c1ccccc1 ZINC000644647159 384975140 /nfs/dbraw/zinc/97/51/40/384975140.db2.gz CQWNMBJOPHCRMS-GFCCVEGCSA-N 0 3 259.271 2.603 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000638874616 385007368 /nfs/dbraw/zinc/00/73/68/385007368.db2.gz IIZPWKGBIWEKDU-HNNXBMFYSA-N 0 3 292.398 2.977 20 30 CFEDHN CN1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000270304803 385048774 /nfs/dbraw/zinc/04/87/74/385048774.db2.gz QYKLTWBRXFZHAH-WBVHZDCISA-N 0 3 278.359 2.811 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000280539439 385052707 /nfs/dbraw/zinc/05/27/07/385052707.db2.gz CTVWHZDHVIYXFE-WFASDCNBSA-N 0 3 265.328 2.602 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc(C)cs1 ZINC000280548126 385056980 /nfs/dbraw/zinc/05/69/80/385056980.db2.gz DOLUVRSGZOZTFW-DGCLKSJQSA-N 0 3 252.383 2.522 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270347490 385064661 /nfs/dbraw/zinc/06/46/61/385064661.db2.gz AWHBQNJOOVGRKU-AWEZNQCLSA-N 0 3 290.407 2.976 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000280581862 385069120 /nfs/dbraw/zinc/06/91/20/385069120.db2.gz HPQHAOARLSVARF-ZFWWWQNUSA-N 0 3 276.336 2.666 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nccn1-c1ccccc1 ZINC000280615381 385085093 /nfs/dbraw/zinc/08/50/93/385085093.db2.gz KMRHNSMXFCQWPN-QAPCUYQASA-N 0 3 297.402 2.943 20 30 CFEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccccc1C#N ZINC000270455726 385109824 /nfs/dbraw/zinc/10/98/24/385109824.db2.gz NYNYNHSWEGENSG-NVXWUHKLSA-N 0 3 286.375 2.770 20 30 CFEDHN C=C(C)[C@H](N[C@@H]1CCCNC(=O)C1)c1ccc(F)c(F)c1 ZINC000639058958 385138952 /nfs/dbraw/zinc/13/89/52/385138952.db2.gz WDZAXIURHPTULA-WBMJQRKESA-N 0 3 294.345 2.840 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1c(CC)nn(C)c1Cl ZINC000280635612 385093230 /nfs/dbraw/zinc/09/32/30/385093230.db2.gz MPQRDPYQAXBHGT-RISCZKNCSA-N 0 3 297.830 2.707 20 30 CFEDHN C=C(C)CNCc1ccnn1-c1ccccc1OC ZINC000281044370 385182682 /nfs/dbraw/zinc/18/26/82/385182682.db2.gz HFJMARUKUQERIG-UHFFFAOYSA-N 0 3 257.337 2.547 20 30 CFEDHN C=CCN1CC[C@H](N(CC)[C@H](C)Cc2ccsc2)C1=O ZINC000281414363 385194092 /nfs/dbraw/zinc/19/40/92/385194092.db2.gz RHPWBTYLPFNBIG-HIFRSBDPSA-N 0 3 292.448 2.788 20 30 CFEDHN C=CCN(C)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000639064412 385146656 /nfs/dbraw/zinc/14/66/56/385146656.db2.gz FDOOSNMLINMJMB-UHFFFAOYSA-N 0 3 271.364 2.558 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)cn1 ZINC000280800543 385158100 /nfs/dbraw/zinc/15/81/00/385158100.db2.gz KOGFZLCUAHXPTC-XUJVJEKNSA-N 0 3 264.344 2.853 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000280816253 385165860 /nfs/dbraw/zinc/16/58/60/385165860.db2.gz UTCOZKJOSIIPCH-HOCLYGCPSA-N 0 3 261.365 2.771 20 30 CFEDHN CCCN(CCn1ccnc1C)Cc1ccc(C#N)cc1 ZINC000270657786 385178669 /nfs/dbraw/zinc/17/86/69/385178669.db2.gz NZMRAMVPLOJJRG-UHFFFAOYSA-N 0 3 282.391 2.975 20 30 CFEDHN COc1cc(CN(C)C[C@H]2CCCC[C@H]2O)ccc1C#N ZINC000282127346 385220879 /nfs/dbraw/zinc/22/08/79/385220879.db2.gz BFUAOLBAINHZNJ-HZPDHXFCSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCC[C@H](NC(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000289104205 197235267 /nfs/dbraw/zinc/23/52/67/197235267.db2.gz GAWHGUXFWJBAHX-HOCLYGCPSA-N 0 3 289.423 2.943 20 30 CFEDHN C#CCCOc1ccc(CN2CCC(OC)CC2)cc1 ZINC000271029938 385310780 /nfs/dbraw/zinc/31/07/80/385310780.db2.gz GOAYDFOFAUJPQT-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282453445 385315841 /nfs/dbraw/zinc/31/58/41/385315841.db2.gz VELRRDALFHUKPU-HNNXBMFYSA-N 0 3 288.391 2.815 20 30 CFEDHN C=CCOc1cccc(CN2CCC(OC)CC2)c1 ZINC000271049381 385318391 /nfs/dbraw/zinc/31/83/91/385318391.db2.gz URPDBJUCZIYSRY-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000645238459 385261448 /nfs/dbraw/zinc/26/14/48/385261448.db2.gz RPCMXRBIVAYLEY-CABCVRRESA-N 0 3 281.783 2.730 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](OC)C[C@H]1C ZINC000282285888 385272640 /nfs/dbraw/zinc/27/26/40/385272640.db2.gz IPFMGPVTEZBVKD-DOMZBBRYSA-N 0 3 274.364 2.566 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000271058543 385322709 /nfs/dbraw/zinc/32/27/09/385322709.db2.gz RWYWSHSCJNWLMI-HOTGVXAUSA-N 0 3 288.391 2.692 20 30 CFEDHN C#CCCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282388184 385299761 /nfs/dbraw/zinc/29/97/61/385299761.db2.gz DFYGDRIOVUBJOX-UHFFFAOYSA-N 0 3 272.367 2.676 20 30 CFEDHN C#CCCCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000271082786 385332230 /nfs/dbraw/zinc/33/22/30/385332230.db2.gz YUIXBVFMEJPJJM-INIZCTEOSA-N 0 3 270.376 2.527 20 30 CFEDHN CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000271706883 385388940 /nfs/dbraw/zinc/38/89/40/385388940.db2.gz UKSRTVOIEFFUTC-GDBMZVCRSA-N 0 3 287.407 2.735 20 30 CFEDHN C#CCN(CC)Cc1ccc(Oc2cnccn2)cc1 ZINC000271144427 385349491 /nfs/dbraw/zinc/34/94/91/385349491.db2.gz QQGYZGCDOSBUSA-UHFFFAOYSA-N 0 3 267.332 2.724 20 30 CFEDHN C=C(C)CCNCc1ccccc1OCCCCO ZINC000639226715 385353065 /nfs/dbraw/zinc/35/30/65/385353065.db2.gz HWHMWKDWUQLITQ-UHFFFAOYSA-N 0 3 263.381 2.894 20 30 CFEDHN C=CCCCCCN(C)Cc1cnc(N(C)C)nc1 ZINC000271202127 385375289 /nfs/dbraw/zinc/37/52/89/385375289.db2.gz UXZLVCMXKGRZMT-UHFFFAOYSA-N 0 3 262.401 2.721 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc2c(c1)OCCCO2 ZINC000271677894 385387972 /nfs/dbraw/zinc/38/79/72/385387972.db2.gz PAENOSHRWYCUPJ-LBPRGKRZSA-N 0 3 260.337 2.802 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](C)c2cscn2)CC1 ZINC000271070136 385327777 /nfs/dbraw/zinc/32/77/77/385327777.db2.gz DZVCGRMRRDZNQF-GFCCVEGCSA-N 0 3 265.426 2.834 20 30 CFEDHN C=CCC(C)(C)CNCc1cc2c(cn1)OCCO2 ZINC000639206801 385328185 /nfs/dbraw/zinc/32/81/85/385328185.db2.gz KMAMDZVLTWIECO-UHFFFAOYSA-N 0 3 262.353 2.545 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)[C@H]2CC3CCC2CC3)nn1 ZINC000639274719 385403592 /nfs/dbraw/zinc/40/35/92/385403592.db2.gz KHKWPKJKZVXLBB-WLIAPVHPSA-N 0 3 274.412 2.769 20 30 CFEDHN C[C@H](NCCOCC1CC1)c1ccc(C#N)c(F)c1 ZINC000271930034 385404717 /nfs/dbraw/zinc/40/47/17/385404717.db2.gz HWSFRDPHSFTAJG-NSHDSACASA-N 0 3 262.328 2.775 20 30 CFEDHN CC[C@H](C)[C@@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271951076 385409273 /nfs/dbraw/zinc/40/92/73/385409273.db2.gz OQSDILZAENXVME-RWSFTLGLSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271957577 385411300 /nfs/dbraw/zinc/41/13/00/385411300.db2.gz QMQDFQSMWVLJPC-LALPHHSUSA-N 0 3 292.354 2.542 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000639311698 385438707 /nfs/dbraw/zinc/43/87/07/385438707.db2.gz VPRRPKZELKQAJK-CYBMUJFWSA-N 0 3 274.364 2.641 20 30 CFEDHN C=CCC1(N[C@@H](c2nccn2C)C2CC2)CCOCC1 ZINC000639316678 385442479 /nfs/dbraw/zinc/44/24/79/385442479.db2.gz XMFUCZNVGRXKHL-CQSZACIVSA-N 0 3 275.396 2.586 20 30 CFEDHN C=CCC1(NCc2cc3c(cn2)OCCO3)CCCC1 ZINC000639322528 385448074 /nfs/dbraw/zinc/44/80/74/385448074.db2.gz VQTSUVZEKGBPLG-UHFFFAOYSA-N 0 3 274.364 2.831 20 30 CFEDHN C=CCSCCNCc1cn2cc(C)ccc2n1 ZINC000283818299 385503308 /nfs/dbraw/zinc/50/33/08/385503308.db2.gz DYPBBVJNLMVETM-UHFFFAOYSA-N 0 3 261.394 2.652 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1O ZINC000272301245 385504721 /nfs/dbraw/zinc/50/47/21/385504721.db2.gz GZXCZWXESLGBBC-HZPDHXFCSA-N 0 3 272.392 2.787 20 30 CFEDHN C=C(C)CCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000283979804 385519987 /nfs/dbraw/zinc/51/99/87/385519987.db2.gz CRJNIJDWZUZLMK-QGZVFWFLSA-N 0 3 258.409 2.811 20 30 CFEDHN CC[C@H](CNc1nc(Cl)c(C#N)s1)N1CCCC1 ZINC000286126334 385561808 /nfs/dbraw/zinc/56/18/08/385561808.db2.gz MPKZINHBAFRZLJ-SECBINFHSA-N 0 3 284.816 2.954 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000272560525 385565092 /nfs/dbraw/zinc/56/50/92/385565092.db2.gz NNRUEWPOMHNTBK-CQSZACIVSA-N 0 3 271.364 2.726 20 30 CFEDHN C=CCC[C@H](N[C@H](C)[C@H](CO)SC)c1ccco1 ZINC000286378100 385603181 /nfs/dbraw/zinc/60/31/81/385603181.db2.gz ZWXFSEBOKTVVIA-DYEKYZERSA-N 0 3 269.410 2.989 20 30 CFEDHN C=CCC[C@H](NCCN1CCSCC1)c1ccco1 ZINC000286272459 385580606 /nfs/dbraw/zinc/58/06/06/385580606.db2.gz VJSPBLFIWKOIAW-AWEZNQCLSA-N 0 3 280.437 2.925 20 30 CFEDHN C=CCS(=O)(=O)CCNCc1cc2ccccc2s1 ZINC000272820963 385625082 /nfs/dbraw/zinc/62/50/82/385625082.db2.gz IULJOBBKZWDCRQ-UHFFFAOYSA-N 0 3 295.429 2.592 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CCC)Cc1ccccc1 ZINC000272895372 385645804 /nfs/dbraw/zinc/64/58/04/385645804.db2.gz UDOMHYBYDYSZBH-INIZCTEOSA-N 0 3 295.448 2.588 20 30 CFEDHN C[C@H](Nc1cccc(F)c1C#N)C1=CCN(C)CC1 ZINC000272947631 385663165 /nfs/dbraw/zinc/66/31/65/385663165.db2.gz MMCHHBGHZYBJGL-NSHDSACASA-N 0 3 259.328 2.760 20 30 CFEDHN CN1CC=C(CNc2c(Cl)cccc2C#N)CC1 ZINC000274021881 385700785 /nfs/dbraw/zinc/70/07/85/385700785.db2.gz WCJURRJORPHERT-UHFFFAOYSA-N 0 3 261.756 2.885 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(C#N)ccn1 ZINC000286807944 385714295 /nfs/dbraw/zinc/71/42/95/385714295.db2.gz KYANFMUIUQJXGX-WMLDXEAASA-N 0 3 292.386 2.886 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(OC)ncc1F ZINC000286993024 385758271 /nfs/dbraw/zinc/75/82/71/385758271.db2.gz JRUFWKARHJXHRB-OZVIIMIRSA-N 0 3 294.370 2.861 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(F)c(C#N)c2)C1 ZINC000287019874 385763686 /nfs/dbraw/zinc/76/36/86/385763686.db2.gz RHIWAUQGLVJXNR-UHFFFAOYSA-N 0 3 262.328 2.697 20 30 CFEDHN C=C(C)CN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917268 385770615 /nfs/dbraw/zinc/77/06/15/385770615.db2.gz CTCKJHPSGQEWSL-LBPRGKRZSA-N 0 3 259.271 2.905 20 30 CFEDHN C=C(C)CCN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809133 385720613 /nfs/dbraw/zinc/72/06/13/385720613.db2.gz DLGWNMQSMVRCOX-UHFFFAOYSA-N 0 3 280.437 2.787 20 30 CFEDHN CCN1CC[C@H](N(C)c2nc(Cl)c(C#N)s2)[C@@H](C)C1 ZINC000287122547 385785277 /nfs/dbraw/zinc/78/52/77/385785277.db2.gz CUJREXHWTXHSKF-UWVGGRQHSA-N 0 3 298.843 2.835 20 30 CFEDHN C=CCC[C@@H](NCC(C)(C)OCCO)c1ccco1 ZINC000287198479 385801254 /nfs/dbraw/zinc/80/12/54/385801254.db2.gz DOYYGLBBPXLDBF-CYBMUJFWSA-N 0 3 267.369 2.664 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000288552982 197110928 /nfs/dbraw/zinc/11/09/28/197110928.db2.gz VRDOAPFJDIUOAD-GOEBONIOSA-N 0 3 297.402 2.566 20 30 CFEDHN C=CCC[C@H](C(=O)NC[C@@H](C)N(C)C)c1ccccc1 ZINC000275193871 385954844 /nfs/dbraw/zinc/95/48/44/385954844.db2.gz ZECKIIUUNADUKH-ZBFHGGJFSA-N 0 3 274.408 2.803 20 30 CFEDHN COc1ccccc1[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000276762258 386036951 /nfs/dbraw/zinc/03/69/51/386036951.db2.gz NFNWKHHXAPFNDY-OAHLLOKOSA-N 0 3 295.386 2.895 20 30 CFEDHN C#CC[C@@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1 ZINC000276908233 386076970 /nfs/dbraw/zinc/07/69/70/386076970.db2.gz FJFMNUJKYXKJRO-HZPDHXFCSA-N 0 3 283.371 2.826 20 30 CFEDHN C#CC[C@@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1 ZINC000276908235 386077331 /nfs/dbraw/zinc/07/73/31/386077331.db2.gz FJFMNUJKYXKJRO-JKSUJKDBSA-N 0 3 283.371 2.826 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000681046631 542404087 /nfs/dbraw/zinc/40/40/87/542404087.db2.gz CPGPILQDKQXWHW-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@H](CC)NCc1c(Br)cnn1C ZINC000281265662 195174039 /nfs/dbraw/zinc/17/40/39/195174039.db2.gz HEOWBVGMAODXQU-VIFPVBQESA-N 0 3 272.190 2.627 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)c2cccc(C)c2C)C1=O ZINC000281380060 195218015 /nfs/dbraw/zinc/21/80/15/195218015.db2.gz YVDMKVARNVDSDF-GDBMZVCRSA-N 0 3 272.392 2.741 20 30 CFEDHN CC(C)(C)OC(=O)[C@]1(C)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000332394686 260005445 /nfs/dbraw/zinc/00/54/45/260005445.db2.gz SIVAAGIWFIHHBY-XJKCOSOUSA-N 0 3 278.396 2.732 20 30 CFEDHN C=C(C)CCN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682037003 542509453 /nfs/dbraw/zinc/50/94/53/542509453.db2.gz CMFKGKRECRQMGP-LLVKDONJSA-N 0 3 251.292 2.996 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000364845353 262262585 /nfs/dbraw/zinc/26/25/85/262262585.db2.gz WDOZZDNSQNRFEZ-SWLSCSKDSA-N 0 3 279.815 2.634 20 30 CFEDHN C=C(C)[C@H](CO)N(CC)Cc1c[nH]c2ccccc12 ZINC000682372613 542542716 /nfs/dbraw/zinc/54/27/16/542542716.db2.gz MFKKPLJSVWRBSW-INIZCTEOSA-N 0 3 258.365 2.927 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000268672282 533504362 /nfs/dbraw/zinc/50/43/62/533504362.db2.gz UNXIRNPOZAVSTH-CQSZACIVSA-N 0 3 288.391 2.806 20 30 CFEDHN COc1ccc(CN(C)CCc2nccs2)cc1C#N ZINC000157487691 533540396 /nfs/dbraw/zinc/54/03/96/533540396.db2.gz AVOFQDIZGFFYIT-UHFFFAOYSA-N 0 3 287.388 2.698 20 30 CFEDHN Cc1cc(CN2CCC[C@]23CCOC3)ccc1C#N ZINC000341954624 130171310 /nfs/dbraw/zinc/17/13/10/130171310.db2.gz RJMROXPQQIORIU-MRXNPFEDSA-N 0 3 256.349 2.622 20 30 CFEDHN C=CCN(CCOC)C[C@@H]1CCOc2ccccc21 ZINC000683001007 542624766 /nfs/dbraw/zinc/62/47/66/542624766.db2.gz LAZDGCYTLUNJDO-AWEZNQCLSA-N 0 3 261.365 2.687 20 30 CFEDHN CCOC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192026143 130354146 /nfs/dbraw/zinc/35/41/46/130354146.db2.gz SCNOQIGRJGAMEX-QGZVFWFLSA-N 0 3 257.377 2.787 20 30 CFEDHN COc1ccc(CN2CCS[C@H](C)CC2)cc1C#N ZINC000192184954 130390418 /nfs/dbraw/zinc/39/04/18/130390418.db2.gz SWMYZNPBHDOYQI-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN C=CCSCCNCc1cc(OC)c(OC)cc1OC ZINC000222062698 130787396 /nfs/dbraw/zinc/78/73/96/130787396.db2.gz VQXPRLSTWCKMCQ-UHFFFAOYSA-N 0 3 297.420 2.721 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2CCCOC2)ccc1OC ZINC000237148508 131008199 /nfs/dbraw/zinc/00/81/99/131008199.db2.gz HLEKXWHWCBEHNQ-OAHLLOKOSA-N 0 3 291.391 2.919 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000249805234 131123664 /nfs/dbraw/zinc/12/36/64/131123664.db2.gz BCZJOVPWARSIQY-FRRDWIJNSA-N 0 3 271.364 2.758 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C)C1 ZINC000261378525 131151013 /nfs/dbraw/zinc/15/10/13/131151013.db2.gz AMGVYCHISKPNHP-KGLIPLIRSA-N 0 3 292.448 2.993 20 30 CFEDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000263716738 131315156 /nfs/dbraw/zinc/31/51/56/131315156.db2.gz LEOMVLWPCQMQCW-QGZVFWFLSA-N 0 3 299.418 2.687 20 30 CFEDHN N#Cc1nccnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000263737223 131319279 /nfs/dbraw/zinc/31/92/79/131319279.db2.gz CXTNSKAABQSPPX-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN CCC1(O)CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000268676969 132047386 /nfs/dbraw/zinc/04/73/86/132047386.db2.gz LOPAAHJREFCLOV-UHFFFAOYSA-N 0 3 288.391 2.564 20 30 CFEDHN C[C@H](c1cccc(O)c1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268716980 132055318 /nfs/dbraw/zinc/05/53/18/132055318.db2.gz YWQVXIJMUNIMIM-FZKQIMNGSA-N 0 3 296.370 2.990 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)cc1F)c1ccsc1 ZINC000269418359 132167919 /nfs/dbraw/zinc/16/79/19/132167919.db2.gz KWUBLXNHEWYWMP-OAHLLOKOSA-N 0 3 290.363 2.756 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccco2)C1 ZINC000374002749 393479776 /nfs/dbraw/zinc/47/97/76/393479776.db2.gz NBXMKUBDKLNWSL-HUUCEWRRSA-N 0 3 288.391 2.658 20 30 CFEDHN N#CCCCCN1CCN(Cc2cccc(F)c2)CC1 ZINC000178773738 393449048 /nfs/dbraw/zinc/44/90/48/393449048.db2.gz PPRDBMQFNGBPJU-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN CC(C)N(C)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000372634097 393452180 /nfs/dbraw/zinc/45/21/80/393452180.db2.gz FBFHBHBECQWQAZ-SJORKVTESA-N 0 3 299.418 2.625 20 30 CFEDHN Cc1cc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)c(C)s1 ZINC000179375827 393464549 /nfs/dbraw/zinc/46/45/49/393464549.db2.gz XWISPISOYOYSKV-NWDGAFQWSA-N 0 3 293.436 2.776 20 30 CFEDHN C#CCOc1ccccc1CN1CCCO[C@@H]2CCC[C@H]21 ZINC000374117969 393484105 /nfs/dbraw/zinc/48/41/05/393484105.db2.gz FCQNQOKWNPODNC-SJLPKXTDSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CCN1CC[C@H](N2CCSC3(CCCCC3)C2)C1=O ZINC000374163070 393486285 /nfs/dbraw/zinc/48/62/85/393486285.db2.gz SAEZAMVDTJYLAI-AWEZNQCLSA-N 0 3 294.464 2.525 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000308341246 393516031 /nfs/dbraw/zinc/51/60/31/393516031.db2.gz ITZFFOIWQHAWFW-CABCVRRESA-N 0 3 256.349 2.605 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ccn2)CC1 ZINC000184127403 393524833 /nfs/dbraw/zinc/52/48/33/393524833.db2.gz LPKJJSVFJYZLOI-UHFFFAOYSA-N 0 3 288.395 2.552 20 30 CFEDHN C=CC[C@@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000184270743 393526186 /nfs/dbraw/zinc/52/61/86/393526186.db2.gz XTGHFEBNBPZCGX-ZDUSSCGKSA-N 0 3 274.389 2.837 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(OCC(F)(F)F)c1 ZINC000184282449 393526233 /nfs/dbraw/zinc/52/62/33/393526233.db2.gz CLWQNHBXEIIXTQ-GFCCVEGCSA-N 0 3 289.297 2.654 20 30 CFEDHN C#CCN1CCC(C(=O)NCCC2=CCCCCC2)CC1 ZINC000184255913 393526385 /nfs/dbraw/zinc/52/63/85/393526385.db2.gz MLSCHESDSDLNFB-UHFFFAOYSA-N 0 3 288.435 2.728 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OCC)c(OCC)c1 ZINC000184272938 393526527 /nfs/dbraw/zinc/52/65/27/393526527.db2.gz ZSDBVIXTLSIEMQ-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN Cc1cncc([C@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000184410143 393527662 /nfs/dbraw/zinc/52/76/62/393527662.db2.gz WJQZGTSDMZXGQY-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccccc1SC ZINC000684211366 542777124 /nfs/dbraw/zinc/77/71/24/542777124.db2.gz OGBWNUQLEHOLDA-CYBMUJFWSA-N 0 3 251.395 2.777 20 30 CFEDHN CC(C)(O)C(C)(C)CNCc1ccc(C#N)s1 ZINC000393694963 393594789 /nfs/dbraw/zinc/59/47/89/393594789.db2.gz ONPIDLPHQUDLJE-UHFFFAOYSA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000334286865 393590397 /nfs/dbraw/zinc/59/03/97/393590397.db2.gz XRTHCZDMDBQXHU-NWDGAFQWSA-N 0 3 256.349 2.902 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCSC1 ZINC000192131425 393613568 /nfs/dbraw/zinc/61/35/68/393613568.db2.gz XRRLANXZWUXGDD-GFCCVEGCSA-N 0 3 250.342 2.635 20 30 CFEDHN N#Cc1ccc(CN2CCSC[C@@H]2C2CC2)cc1 ZINC000334679231 393615903 /nfs/dbraw/zinc/61/59/03/393615903.db2.gz LYAKHXUIHFPNAM-OAHLLOKOSA-N 0 3 258.390 2.886 20 30 CFEDHN Cc1cccnc1CCNCc1ccc(C#N)c(F)c1 ZINC000404923653 393622078 /nfs/dbraw/zinc/62/20/78/393622078.db2.gz NZVRLUUWOPMEPF-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000335141562 393645832 /nfs/dbraw/zinc/64/58/32/393645832.db2.gz INZDAHPRCHORQJ-ZIAGYGMSSA-N 0 3 264.413 2.674 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000335159515 393648392 /nfs/dbraw/zinc/64/83/92/393648392.db2.gz NMDXONUWNGRMCT-LLVKDONJSA-N 0 3 292.329 2.906 20 30 CFEDHN Cc1n[nH]cc1CNCCSCc1ccccc1C#N ZINC000194360122 393690500 /nfs/dbraw/zinc/69/05/00/393690500.db2.gz VNMLXJXPVRIMCM-UHFFFAOYSA-N 0 3 286.404 2.613 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000335708620 393692611 /nfs/dbraw/zinc/69/26/11/393692611.db2.gz GARSTJDWCBTBMG-LBPRGKRZSA-N 0 3 274.339 2.766 20 30 CFEDHN N#Cc1cccc(CNCCOCc2ccccc2)c1 ZINC000080244670 393725273 /nfs/dbraw/zinc/72/52/73/393725273.db2.gz MYZDBXDRJZVBIN-UHFFFAOYSA-N 0 3 266.344 2.865 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412283832 393765764 /nfs/dbraw/zinc/76/57/64/393765764.db2.gz DRNYYBKYHMQILF-LXTVHRRPSA-N 0 3 264.413 2.815 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000339998007 393834944 /nfs/dbraw/zinc/83/49/44/393834944.db2.gz CPOUMHUFVZNQON-XOIINTDNSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C)CC1 ZINC000412849074 393774875 /nfs/dbraw/zinc/77/48/75/393774875.db2.gz ZSVALTUCVXCBRE-KRWDZBQOSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](CC)N(C)C ZINC000413095371 393779712 /nfs/dbraw/zinc/77/97/12/393779712.db2.gz MSRMDBDMBOMVDA-CYBMUJFWSA-N 0 3 266.410 2.603 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccccn1 ZINC000338321354 393781767 /nfs/dbraw/zinc/78/17/67/393781767.db2.gz IYFQYQSGYBACSY-SNVBAGLBSA-N 0 3 291.232 2.985 20 30 CFEDHN C=CC[C@@H]1N(C(=O)[C@@H](CC)N(C)C)CCCC1(C)C ZINC000413790407 393789182 /nfs/dbraw/zinc/78/91/82/393789182.db2.gz WXAFOSKBSASZDO-KGLIPLIRSA-N 0 3 266.429 2.920 20 30 CFEDHN COCC[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000413885570 393792517 /nfs/dbraw/zinc/79/25/17/393792517.db2.gz ZXGOTNLIUWIBNE-HOCLYGCPSA-N 0 3 288.391 2.548 20 30 CFEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)o1 ZINC000093385323 393797150 /nfs/dbraw/zinc/79/71/50/393797150.db2.gz NYBCACHRVDJYKW-UHFFFAOYSA-N 0 3 252.317 2.752 20 30 CFEDHN COc1cccc(C2=CCN(CCOCCC#N)CC2)c1 ZINC000338941371 393805433 /nfs/dbraw/zinc/80/54/33/393805433.db2.gz FZHAEAHWQZVYLM-UHFFFAOYSA-N 0 3 286.375 2.715 20 30 CFEDHN C=CCOCCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000338925954 393806279 /nfs/dbraw/zinc/80/62/79/393806279.db2.gz NIYGFKIVBWJNME-QGZVFWFLSA-N 0 3 275.392 2.870 20 30 CFEDHN C=CCOCCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000339017810 393811470 /nfs/dbraw/zinc/81/14/70/393811470.db2.gz XDHPYGUFBVXHGJ-SFHVURJKSA-N 0 3 289.419 2.913 20 30 CFEDHN C=CCOCCN1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000339059689 393814022 /nfs/dbraw/zinc/81/40/22/393814022.db2.gz HQQBVCKSHIBSIT-SJORKVTESA-N 0 3 288.435 2.784 20 30 CFEDHN CN(C(=O)c1ccc(C#N)s1)C(C)(C)CN1CCCC1 ZINC000416105509 393872548 /nfs/dbraw/zinc/87/25/48/393872548.db2.gz LHIBEVZUCDIHII-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN C=CCOc1ccc(C(=O)N(CCC)CCN(C)C)cc1 ZINC000343056681 393878423 /nfs/dbraw/zinc/87/84/23/393878423.db2.gz YWHIUKOFSXNIJD-UHFFFAOYSA-N 0 3 290.407 2.665 20 30 CFEDHN CN(C(=O)CN1CC[C@H]2CCC[C@H]21)C1(C#N)CCCCC1 ZINC000426472857 393888835 /nfs/dbraw/zinc/88/88/35/393888835.db2.gz VYRYLYRINPMJGC-HUUCEWRRSA-N 0 3 289.423 2.546 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCN(C2CC2)C1 ZINC000427025061 393891374 /nfs/dbraw/zinc/89/13/74/393891374.db2.gz WXMWWXNUONHHLQ-KRWDZBQOSA-N 0 3 288.822 2.860 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H]1c1ccc(C)s1 ZINC000114732334 393902524 /nfs/dbraw/zinc/90/25/24/393902524.db2.gz HIJITAUWUMZVNQ-QWHCGFSZSA-N 0 3 278.421 2.884 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H](O)COC(C)C ZINC000097357103 393840476 /nfs/dbraw/zinc/84/04/76/393840476.db2.gz IIIFWKYIKGVORJ-KRWDZBQOSA-N 0 3 290.407 2.556 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000346222983 393923493 /nfs/dbraw/zinc/92/34/93/393923493.db2.gz PJMZVZUNEHIJDA-SUNKGSAMSA-N 0 3 260.312 2.895 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346271644 393925251 /nfs/dbraw/zinc/92/52/51/393925251.db2.gz GVMUZTBZCQVQGI-HUUCEWRRSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346264718 393925298 /nfs/dbraw/zinc/92/52/98/393925298.db2.gz OFALSFDFQCXYRH-HRCADAONSA-N 0 3 290.451 2.922 20 30 CFEDHN COc1ccc(C[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000346438575 393929907 /nfs/dbraw/zinc/92/99/07/393929907.db2.gz QZHUKVSXEXILFJ-ZFWWWQNUSA-N 0 3 286.375 2.636 20 30 CFEDHN CC[C@@H](Cn1cncn1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417369848 393951778 /nfs/dbraw/zinc/95/17/78/393951778.db2.gz RSNIZCJFZVCLQV-RDJZCZTQSA-N 0 3 295.390 2.596 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000121063228 393947302 /nfs/dbraw/zinc/94/73/02/393947302.db2.gz FMYZUKUBYNHQCH-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346192263 393922519 /nfs/dbraw/zinc/92/25/19/393922519.db2.gz MUZNXPDOIYHFGE-FXUDXRNXSA-N 0 3 278.440 2.777 20 30 CFEDHN C[C@H]1[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000418135228 394018376 /nfs/dbraw/zinc/01/83/76/394018376.db2.gz QVRLVNFQVWAYEG-JHJVBQTASA-N 0 3 268.364 2.682 20 30 CFEDHN CC(C)[C@](C)(CO)NCC#Cc1ccccc1Cl ZINC000352881817 394020787 /nfs/dbraw/zinc/02/07/87/394020787.db2.gz KFLDJHQNKVUPPT-HNNXBMFYSA-N 0 3 265.784 2.688 20 30 CFEDHN C=CC[C@@H](CO)NCc1cscc1C(F)(F)F ZINC000352887108 394021041 /nfs/dbraw/zinc/02/10/41/394021041.db2.gz GFFXXTARNYLIHB-VIFPVBQESA-N 0 3 265.300 2.794 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cc(C#N)ccc1F ZINC000429727342 393953846 /nfs/dbraw/zinc/95/38/46/393953846.db2.gz SCKOPVVCRNUAEL-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000271735697 394022433 /nfs/dbraw/zinc/02/24/33/394022433.db2.gz ZKMTZNJIKSBMCT-DOTOQJQBSA-N 0 3 287.407 2.782 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)[C@H]1CCCOC1 ZINC000348713579 393957171 /nfs/dbraw/zinc/95/71/71/393957171.db2.gz WQJAWBPRZABMAE-INIZCTEOSA-N 0 3 288.391 2.980 20 30 CFEDHN C=CCCCCNC(=O)NCCN1CCCC[C@H]1C ZINC000349054373 393961929 /nfs/dbraw/zinc/96/19/29/393961929.db2.gz PXLGEDZSNMKACM-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN CC1=C[C@H](C)CN(CCOc2ccccc2C#N)C1 ZINC000430283965 393979945 /nfs/dbraw/zinc/97/99/45/393979945.db2.gz LOZQPFYYKGBIFI-ZDUSSCGKSA-N 0 3 256.349 2.835 20 30 CFEDHN C[C@H]1C[C@@H]1N1CCN(c2ccc(F)cc2C#N)C[C@@H](C)C1 ZINC000488770039 394038489 /nfs/dbraw/zinc/03/84/89/394038489.db2.gz ZSUONDGZZQSXQH-IGCXYCKISA-N 0 3 287.382 2.864 20 30 CFEDHN CC(C)(CCC#N)CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000354699953 394050503 /nfs/dbraw/zinc/05/05/03/394050503.db2.gz GUXSQPCTOJCFEE-GDBMZVCRSA-N 0 3 262.397 2.960 20 30 CFEDHN C#CCN(CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000491699904 394056762 /nfs/dbraw/zinc/05/67/62/394056762.db2.gz CWQUUEWWCKGKQI-CQSZACIVSA-N 0 3 292.423 2.731 20 30 CFEDHN C#CCN(CC/C=C/c1cncc(OC)c1)C1CC1 ZINC000491734643 394058307 /nfs/dbraw/zinc/05/83/07/394058307.db2.gz LQHWZGCWVKFXMT-GQCTYLIASA-N 0 3 256.349 2.591 20 30 CFEDHN CC[C@@H](NCC1([S@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280889510 394074596 /nfs/dbraw/zinc/07/45/96/394074596.db2.gz BLHYWEWBEITFFF-QRWLVFNGSA-N 0 3 290.432 2.900 20 30 CFEDHN COC(=O)[C@H](C)CN(Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000487884140 394028374 /nfs/dbraw/zinc/02/83/74/394028374.db2.gz UDBWTEISNJCUCQ-CYBMUJFWSA-N 0 3 286.375 2.640 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCCc2cccnc21 ZINC000358935074 394116318 /nfs/dbraw/zinc/11/63/18/394116318.db2.gz OCBVRVUBVAMJRM-JSGCOSHPSA-N 0 3 271.364 2.857 20 30 CFEDHN C=CCCCC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000359071040 394122591 /nfs/dbraw/zinc/12/25/91/394122591.db2.gz ONJLRZHZFYZJRY-INIZCTEOSA-N 0 3 274.408 2.632 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cccc(Cn3cccn3)c2)C1 ZINC000442708599 394138926 /nfs/dbraw/zinc/13/89/26/394138926.db2.gz JUBLLWLCWOSXAD-YOEHRIQHSA-N 0 3 280.375 2.713 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc(C)on1 ZINC000284910027 394139451 /nfs/dbraw/zinc/13/94/51/394139451.db2.gz CPAJXAGBQSERJB-SCRDCRAPSA-N 0 3 250.342 2.615 20 30 CFEDHN CN(C)[C@@H](CNc1cc(C#N)ccn1)c1cccs1 ZINC000285805404 394149013 /nfs/dbraw/zinc/14/90/13/394149013.db2.gz YLRLWDPTTYIFOF-LBPRGKRZSA-N 0 3 272.377 2.730 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCC(C)(C)CCC#N)cc1 ZINC000360413747 394150881 /nfs/dbraw/zinc/15/08/81/394150881.db2.gz YVHMRNFQOPNKSB-UHFFFAOYSA-N 0 3 287.407 2.808 20 30 CFEDHN N#Cc1c(CN2CCC[C@H](CCO)CC2)cn2ccccc12 ZINC000421005903 394154610 /nfs/dbraw/zinc/15/46/10/394154610.db2.gz AQRSDKTZRQWXMP-HNNXBMFYSA-N 0 3 297.402 2.795 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC(=O)CCCC#N)c1ccco1 ZINC000360620951 394155617 /nfs/dbraw/zinc/15/56/17/394155617.db2.gz PAQQBRPRNIUTJQ-STQMWFEESA-N 0 3 277.368 2.519 20 30 CFEDHN CC(C#N)C(=O)NCc1ccncc1OCCC(C)(C)C ZINC000360654470 394157201 /nfs/dbraw/zinc/15/72/01/394157201.db2.gz ZKIDQJSAEMMMGH-GFCCVEGCSA-N 0 3 289.379 2.672 20 30 CFEDHN C#CCSCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286039968 394182750 /nfs/dbraw/zinc/18/27/50/394182750.db2.gz JRUJIMHQLITNTM-CQSZACIVSA-N 0 3 277.437 2.987 20 30 CFEDHN C[C@@H](NCCCCC#N)c1cn(-c2ccccc2)nn1 ZINC000150923764 394256035 /nfs/dbraw/zinc/25/60/35/394256035.db2.gz ZNZBWMWTJAESAG-CYBMUJFWSA-N 0 3 269.352 2.612 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)c(F)c2)CCCC[C@H]1O ZINC000421365614 394203154 /nfs/dbraw/zinc/20/31/54/394203154.db2.gz QYSVMKVMAIPZHV-HZPDHXFCSA-N 0 3 276.355 2.728 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000421397632 394220466 /nfs/dbraw/zinc/22/04/66/394220466.db2.gz SCDZXGJXMPXDGF-OCCSQVGLSA-N 0 3 290.338 2.519 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccccc1C(F)(F)F ZINC000289638764 394221018 /nfs/dbraw/zinc/22/10/18/394221018.db2.gz FOSAJRSPKYNPAO-NXEZZACHSA-N 0 3 259.271 2.903 20 30 CFEDHN C=C[C@H](CO)NC1CC(c2ccc(Br)cc2)C1 ZINC000289911300 394223757 /nfs/dbraw/zinc/22/37/57/394223757.db2.gz ULBUSIFLLSUPRK-HRDQMINSSA-N 0 3 296.208 2.832 20 30 CFEDHN CC[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)OC ZINC000290307935 394228321 /nfs/dbraw/zinc/22/83/21/394228321.db2.gz ZMWOGWQBQNZDNG-GXTWGEPZSA-N 0 3 262.353 2.665 20 30 CFEDHN C=CCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366563498 394245018 /nfs/dbraw/zinc/24/50/18/394245018.db2.gz XXEWSMYUAQOWEV-STQMWFEESA-N 0 3 266.385 2.504 20 30 CFEDHN CC1CCN(CCNCc2ccc(C#N)c(F)c2)CC1 ZINC000421337350 394190619 /nfs/dbraw/zinc/19/06/19/394190619.db2.gz YSQDHOJUCKMAKP-UHFFFAOYSA-N 0 3 275.371 2.519 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1snc(Cl)c1C#N ZINC000286211843 394194540 /nfs/dbraw/zinc/19/45/40/394194540.db2.gz CKAMJBWJSAOGRA-VHSXEESVSA-N 0 3 296.827 2.731 20 30 CFEDHN CO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000449630780 394282444 /nfs/dbraw/zinc/28/24/44/394282444.db2.gz JBNYTBZUEWFKGO-HOTGVXAUSA-N 0 3 270.376 2.948 20 30 CFEDHN C[C@H](N(C)CC#Cc1ccc(Cl)cc1)C(C)(C)O ZINC000295047282 394295972 /nfs/dbraw/zinc/29/59/72/394295972.db2.gz AUJNJBXGWRPIJV-LBPRGKRZSA-N 0 3 265.784 2.783 20 30 CFEDHN CC#CCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000155168113 394311280 /nfs/dbraw/zinc/31/12/80/394311280.db2.gz FPWJDMWTIBWLJX-UHFFFAOYSA-N 0 3 272.392 2.621 20 30 CFEDHN C=C(C)CN(CC)C(=O)c1cccc(CN(C)C)c1 ZINC000155563506 394318981 /nfs/dbraw/zinc/31/89/81/394318981.db2.gz LTFGOANKKFSJEQ-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN COc1ccc(C#N)cc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000156112922 394329450 /nfs/dbraw/zinc/32/94/50/394329450.db2.gz AFOKRANPEWOUNO-AWEZNQCLSA-N 0 3 286.375 2.568 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N(CCC#N)CC2CC2)c1 ZINC000172771523 394373640 /nfs/dbraw/zinc/37/36/40/394373640.db2.gz UOBMYKXHNJOSLI-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN COc1ccccc1CN(CCO)CCCC(C)(C)C#N ZINC000174845291 394379913 /nfs/dbraw/zinc/37/99/13/394379913.db2.gz REHPHHJEQGGHLJ-UHFFFAOYSA-N 0 3 290.407 2.819 20 30 CFEDHN C[C@H](CC(C)(C)O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453320470 394385145 /nfs/dbraw/zinc/38/51/45/394385145.db2.gz NGRUGTGENKAIDJ-MNOVXSKESA-N 0 3 264.344 2.897 20 30 CFEDHN COCC(COC)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000453334802 394387013 /nfs/dbraw/zinc/38/70/13/394387013.db2.gz JWSORZUBPPKNAY-QGZVFWFLSA-N 0 3 288.391 2.577 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000685055696 542891241 /nfs/dbraw/zinc/89/12/41/542891241.db2.gz JMMHJTPMGYPIFP-QAPCUYQASA-N 0 3 289.394 2.855 20 30 CFEDHN C=CCCOCC(=O)N(CCC)CCN1CCCCCC1 ZINC000685202529 542895206 /nfs/dbraw/zinc/89/52/06/542895206.db2.gz VILAHCADSZBKAM-UHFFFAOYSA-N 0 3 296.455 2.694 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cc(C#N)cs1 ZINC000527805257 394410254 /nfs/dbraw/zinc/41/02/54/394410254.db2.gz UXCLKKHVGHONEW-BSTOTGJRSA-N 0 3 250.367 2.521 20 30 CFEDHN CC/C=C\CNC(=O)C(C#N)CCc1ccccc1 ZINC000456097200 394438460 /nfs/dbraw/zinc/43/84/60/394438460.db2.gz MPBBIMRLXFXBRO-YFUKIHRRSA-N 0 3 256.349 2.841 20 30 CFEDHN C=CCOCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC000685620094 542934549 /nfs/dbraw/zinc/93/45/49/542934549.db2.gz FFEWAEZTUFBIJT-UHFFFAOYSA-N 0 3 275.270 2.703 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000538389567 394602932 /nfs/dbraw/zinc/60/29/32/394602932.db2.gz HAMMKUITFKKDKH-CQSZACIVSA-N 0 3 273.380 2.911 20 30 CFEDHN CC[C@H](C)[C@H](C)NCc1cccc(C(=O)OC)c1C#N ZINC000543472057 394732465 /nfs/dbraw/zinc/73/24/65/394732465.db2.gz OVMMHLKDDWWTFX-RYUDHWBXSA-N 0 3 274.364 2.869 20 30 CFEDHN COc1cc(C#N)ccc1NC(=O)C(C)C(F)(F)F ZINC000547418148 394864993 /nfs/dbraw/zinc/86/49/93/394864993.db2.gz ZZZOHPDPGRJHQT-ZETCQYMHSA-N 0 3 272.226 2.704 20 30 CFEDHN C=C(C)CN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000057623973 542947813 /nfs/dbraw/zinc/94/78/13/542947813.db2.gz CQJXBIOJQXWMCB-AWEZNQCLSA-N 0 3 260.381 2.782 20 30 CFEDHN N#Cc1cnccc1N1CCN(CC2CCCCC2)CC1 ZINC000558751182 395075231 /nfs/dbraw/zinc/07/52/31/395075231.db2.gz MJWMOFZMTUUSDD-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC=C(c2ccc(F)cc2)CC1 ZINC000649225549 395455096 /nfs/dbraw/zinc/45/50/96/395455096.db2.gz LOAKTMNNVDOMKT-MRXNPFEDSA-N 0 3 261.340 2.852 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(OCc2ccccc2F)CC1 ZINC000649406395 395487412 /nfs/dbraw/zinc/48/74/12/395487412.db2.gz HPNXNIKWRJMARS-KRWDZBQOSA-N 0 3 293.382 2.744 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649662732 395548413 /nfs/dbraw/zinc/54/84/13/395548413.db2.gz NRXXHFRZDUIKNM-HOTGVXAUSA-N 0 3 263.356 2.726 20 30 CFEDHN C=C(C)[C@H](CO)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894538 395586231 /nfs/dbraw/zinc/58/62/31/395586231.db2.gz OGGLTZJUAMJKJJ-WBMJQRKESA-N 0 3 263.356 2.724 20 30 CFEDHN C=CCOCCNCc1ccc(OC(F)(F)F)cc1 ZINC000388596308 543103890 /nfs/dbraw/zinc/10/38/90/543103890.db2.gz BTKQENKQTQSWJK-UHFFFAOYSA-N 0 3 275.270 2.877 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000653050335 413169634 /nfs/dbraw/zinc/16/96/34/413169634.db2.gz RWUGAWIYAVGFQG-LBPRGKRZSA-N 0 3 258.365 2.873 20 30 CFEDHN C=CCCCC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000652213834 397723304 /nfs/dbraw/zinc/72/33/04/397723304.db2.gz GWXSRIOTMCURGH-UHFFFAOYSA-N 0 3 289.423 2.718 20 30 CFEDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(C#N)s2)C1 ZINC000356369840 155241324 /nfs/dbraw/zinc/24/13/24/155241324.db2.gz QEEHVVCSAFSNDA-NEPJUHHUSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@H]1CCCOC1 ZINC000356830229 155383771 /nfs/dbraw/zinc/38/37/71/155383771.db2.gz DOIVQNUMXNJUAV-AAEUAGOBSA-N 0 3 262.328 2.602 20 30 CFEDHN Cc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000825157072 782004187 /nfs/dbraw/zinc/00/41/87/782004187.db2.gz KFJVAFPAEMEEEX-NUBYWOLOSA-N 0 3 253.305 2.736 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccco1 ZINC000343075223 154104366 /nfs/dbraw/zinc/10/43/66/154104366.db2.gz ZDRFWMADZJQMJF-HNNXBMFYSA-N 0 3 287.338 2.683 20 30 CFEDHN C[C@@H](NCc1ccc(F)cc1C#N)[C@@H]1CCCOC1 ZINC000348143683 154338456 /nfs/dbraw/zinc/33/84/56/154338456.db2.gz QBSWOIRVEVKGLB-DGCLKSJQSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H](NC[C@@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000348254712 154382444 /nfs/dbraw/zinc/38/24/44/154382444.db2.gz IIMJDXGCPIMDNN-BBRMVZONSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@H](C)CN1C ZINC000360141429 156031895 /nfs/dbraw/zinc/03/18/95/156031895.db2.gz SGWGIXOMXSOPMK-VXGBXAGGSA-N 0 3 277.799 2.736 20 30 CFEDHN Cc1cc(CN2CCN(CC(C)C)CC2)ccc1C#N ZINC000362960084 156129689 /nfs/dbraw/zinc/12/96/89/156129689.db2.gz JBDWKQCXSDKTAJ-UHFFFAOYSA-N 0 3 271.408 2.640 20 30 CFEDHN CCCNC(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362964535 156131560 /nfs/dbraw/zinc/13/15/60/156131560.db2.gz VPOLJJNKLQLEBC-UHFFFAOYSA-N 0 3 299.418 2.605 20 30 CFEDHN CC[C@@H](C)[C@@H](CNCc1cc(C#N)cs1)OC ZINC000362977617 156134149 /nfs/dbraw/zinc/13/41/49/156134149.db2.gz SFNVQZPRDZZRDG-ZWNOBZJWSA-N 0 3 252.383 2.770 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](C2CC2)C1 ZINC000363151127 156153878 /nfs/dbraw/zinc/15/38/78/156153878.db2.gz BOLPBSZGOOLFFJ-AWEZNQCLSA-N 0 3 256.349 2.799 20 30 CFEDHN C[C@@H](F)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000367542332 156347899 /nfs/dbraw/zinc/34/78/99/156347899.db2.gz YUOKDXHUOBKQOM-CQSZACIVSA-N 0 3 275.371 2.818 20 30 CFEDHN COc1cc(CN2CC[C@@H]3OCCC[C@H]3C2)ccc1C#N ZINC000374206042 157082021 /nfs/dbraw/zinc/08/20/21/157082021.db2.gz QSQZFJPYLKTRKH-HOTGVXAUSA-N 0 3 286.375 2.568 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@]2(C1)CCCOC2 ZINC000375294709 157219512 /nfs/dbraw/zinc/21/95/12/157219512.db2.gz YXXLBIPHNMHFOI-MRXNPFEDSA-N 0 3 256.349 2.561 20 30 CFEDHN COc1cc(CN2CCC[C@H](OC)CC2)ccc1C#N ZINC000375585848 157256611 /nfs/dbraw/zinc/25/66/11/157256611.db2.gz VJZAOJJQSQFPET-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCCn1cc(CN2CCC[C@H]2C2CCC2)nn1 ZINC000653541132 413353460 /nfs/dbraw/zinc/35/34/60/413353460.db2.gz FJRPSTSVMREFDD-HNNXBMFYSA-N 0 3 260.385 2.619 20 30 CFEDHN CS[C@H]1CN(c2c(Cl)cccc2C#N)C[C@@H]1N(C)C ZINC000340757699 286721865 /nfs/dbraw/zinc/72/18/65/286721865.db2.gz ZSZPROFMZMOADV-STQMWFEESA-N 0 3 295.839 2.693 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)CCc2ccccc2)nn1 ZINC000657285556 413395112 /nfs/dbraw/zinc/39/51/12/413395112.db2.gz JFCFDWBTTYPVPA-HNNXBMFYSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCCn1cc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)nn1 ZINC000653612323 413405652 /nfs/dbraw/zinc/40/56/52/413405652.db2.gz KKWHJYBLZSTDBQ-BPUTZDHNSA-N 0 3 274.412 2.865 20 30 CFEDHN CC(C)(C)[C@@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000343710440 161844353 /nfs/dbraw/zinc/84/43/53/161844353.db2.gz DZEAWQCTQLWVDN-AWEZNQCLSA-N 0 3 258.365 2.544 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000344363285 162023901 /nfs/dbraw/zinc/02/39/01/162023901.db2.gz SUMKFFPSBACKIX-STQMWFEESA-N 0 3 250.367 2.667 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000344363282 162024539 /nfs/dbraw/zinc/02/45/39/162024539.db2.gz SUMKFFPSBACKIX-QWHCGFSZSA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@]1(NCc2cccc(C#N)c2F)CCO[C@H]1C1CC1 ZINC000344373726 162026658 /nfs/dbraw/zinc/02/66/58/162026658.db2.gz JBECAFQHLDKARO-HOTGVXAUSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1cccc(C#N)c1F ZINC000345937655 162279584 /nfs/dbraw/zinc/27/95/84/162279584.db2.gz RDBYAJVGTLKSDB-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN COC(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346139880 162329579 /nfs/dbraw/zinc/32/95/79/162329579.db2.gz UVKXVMXHZYIRAK-JTQLQIEISA-N 0 3 250.317 2.773 20 30 CFEDHN CC(C)[C@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346198767 162348403 /nfs/dbraw/zinc/34/84/03/162348403.db2.gz RMSMXPJLOHNWFB-XHDPSFHLSA-N 0 3 264.344 2.755 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000346195585 162349667 /nfs/dbraw/zinc/34/96/67/162349667.db2.gz RZBMXZLCJAQKGS-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN CC(C)[C@H]1OCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352850958 163251940 /nfs/dbraw/zinc/25/19/40/163251940.db2.gz YNGQHSDTWGIOHO-SMDDNHRTSA-N 0 3 279.409 2.556 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000352863948 163255329 /nfs/dbraw/zinc/25/53/29/163255329.db2.gz XXTPOYBULHUCBF-BBRMVZONSA-N 0 3 299.399 2.882 20 30 CFEDHN COc1cc(CNCC2(C(F)F)CC2)ccc1C#N ZINC000353207487 163318065 /nfs/dbraw/zinc/31/80/65/163318065.db2.gz HOBGSCVUVUJIFN-UHFFFAOYSA-N 0 3 266.291 2.702 20 30 CFEDHN C[C@@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000134508252 287021084 /nfs/dbraw/zinc/02/10/84/287021084.db2.gz NLBVHEFTZIBPNY-GFCCVEGCSA-N 0 3 273.380 2.514 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000284350387 196035823 /nfs/dbraw/zinc/03/58/23/196035823.db2.gz CTSUGSDNGXJHGB-HZPDHXFCSA-N 0 3 286.375 2.710 20 30 CFEDHN Cn1cc(CN2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1C#N ZINC000284380389 196043277 /nfs/dbraw/zinc/04/32/77/196043277.db2.gz OKYJMDFEMYWTKV-QWHCGFSZSA-N 0 3 298.217 2.912 20 30 CFEDHN C=CCCn1cc(CN[C@H](CC)Cc2ccccc2)nn1 ZINC000657344761 413477831 /nfs/dbraw/zinc/47/78/31/413477831.db2.gz CHTKAMSJRLHJGF-MRXNPFEDSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCCn1cc(CN[C@@]2(C)CCCC[C@@H]2C)nn1 ZINC000653757702 413482705 /nfs/dbraw/zinc/48/27/05/413482705.db2.gz ALXCHOXXPHWQDF-ZFWWWQNUSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCn1cc(CN[C@@]2(C)CCCC[C@H]2C)nn1 ZINC000653757700 413482966 /nfs/dbraw/zinc/48/29/66/413482966.db2.gz ALXCHOXXPHWQDF-HIFRSBDPSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000660670102 413487733 /nfs/dbraw/zinc/48/77/33/413487733.db2.gz UAMVVXCIAMKCNI-MRXNPFEDSA-N 0 3 287.407 2.526 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCc3ccccc32)nn1 ZINC000657356915 413491401 /nfs/dbraw/zinc/49/14/01/413491401.db2.gz IZZGSDGUWDVMHE-HNNXBMFYSA-N 0 3 282.391 2.674 20 30 CFEDHN C=CCC1(NC(=O)NC[C@H](C)N(C)C2CC2)CCCC1 ZINC000664000165 413503992 /nfs/dbraw/zinc/50/39/92/413503992.db2.gz WDGRYFFAQKFDBD-ZDUSSCGKSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nn1 ZINC000657376935 413521534 /nfs/dbraw/zinc/52/15/34/413521534.db2.gz QNSVYWPKSSVTII-RRFJBIMHSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CCCn1cc(CNC[C@H](C)Cc2cccs2)nn1 ZINC000657379846 413527251 /nfs/dbraw/zinc/52/72/51/413527251.db2.gz DSCNQOGADPVAPL-CYBMUJFWSA-N 0 3 290.436 2.884 20 30 CFEDHN C=C[C@H](C)NCc1cncc(Br)c1C ZINC000657393202 413550120 /nfs/dbraw/zinc/55/01/20/413550120.db2.gz PERIDFLMEHZRRY-QMMMGPOBSA-N 0 3 255.159 2.817 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000660820227 413590746 /nfs/dbraw/zinc/59/07/46/413590746.db2.gz CDKIIOJZZLFVCB-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CNCC2(C3CC3)CCC2)nn1 ZINC000657414635 413572916 /nfs/dbraw/zinc/57/29/16/413572916.db2.gz RJWYWDXSTIZWEM-UHFFFAOYSA-N 0 3 260.385 2.524 20 30 CFEDHN C=CCCOCCNCc1cc2ccncc2s1 ZINC000657419511 413577124 /nfs/dbraw/zinc/57/71/24/413577124.db2.gz UMYBGZMYIIMWDU-UHFFFAOYSA-N 0 3 262.378 2.979 20 30 CFEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[n-]2)C1 ZINC000651829122 413674841 /nfs/dbraw/zinc/67/48/41/413674841.db2.gz PHMWDTBWCDFOGB-VXGBXAGGSA-N 0 3 262.401 2.937 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2nnc(C(C)(C)C)[nH]2)C1 ZINC000651829122 413674850 /nfs/dbraw/zinc/67/48/50/413674850.db2.gz PHMWDTBWCDFOGB-VXGBXAGGSA-N 0 3 262.401 2.937 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(cccc2C)[nH]1 ZINC000657482381 413667880 /nfs/dbraw/zinc/66/78/80/413667880.db2.gz VWXANHZKGHSUNG-CVEARBPZSA-N 0 3 256.349 2.909 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](C)CC2)nn1 ZINC000657441590 413612251 /nfs/dbraw/zinc/61/22/51/413612251.db2.gz BHWQNVMKWCZIAC-ZIAGYGMSSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCN(CCC)C1 ZINC000660990250 413700051 /nfs/dbraw/zinc/70/00/51/413700051.db2.gz FOPOWTDXVWWABK-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000661009588 413705120 /nfs/dbraw/zinc/70/51/20/413705120.db2.gz KMBUVGVUZWVAQE-LSDHHAIUSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000664368488 413714554 /nfs/dbraw/zinc/71/45/54/413714554.db2.gz SPLQFXIZDQNYHD-CHWSQXEVSA-N 0 3 279.428 2.656 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654316037 413810102 /nfs/dbraw/zinc/81/01/02/413810102.db2.gz YXKBYJIMCFTJGT-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCc1cc(CN[C@H]2C[C@H](OCC)C2)cc(OC)c1O ZINC000657609397 413787487 /nfs/dbraw/zinc/78/74/87/413787487.db2.gz DCOKFJIACWFGMW-SHTZXODSSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000661194190 413817897 /nfs/dbraw/zinc/81/78/97/413817897.db2.gz WUGYFIANJJHWKQ-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1c(C)cnn1C)C(C)C ZINC000285520691 196312771 /nfs/dbraw/zinc/31/27/71/196312771.db2.gz RQVHPIJWQVBFDH-MRXNPFEDSA-N 0 3 290.455 2.517 20 30 CFEDHN C=CCOCCCNCc1cccc2c1OCCCO2 ZINC000657657732 413824039 /nfs/dbraw/zinc/82/40/39/413824039.db2.gz AIKSIIRUVRPMNA-UHFFFAOYSA-N 0 3 277.364 2.530 20 30 CFEDHN C=CCOCCCNCc1conc1Cc1ccccc1 ZINC000657658985 413824959 /nfs/dbraw/zinc/82/49/59/413824959.db2.gz MPMSOKYOFZTOOY-UHFFFAOYSA-N 0 3 286.375 2.948 20 30 CFEDHN C=CCOCCCNCc1ccc(OC)cc1F ZINC000657658840 413825314 /nfs/dbraw/zinc/82/53/14/413825314.db2.gz GPFPSHIKAOQWSB-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C=CCOCCCNCc1cccc(OC)c1F ZINC000657659000 413825370 /nfs/dbraw/zinc/82/53/70/413825370.db2.gz NINHGPRBLBIJIA-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C=CCOCCCNCc1scnc1C1CC1 ZINC000657658874 413826970 /nfs/dbraw/zinc/82/69/70/413826970.db2.gz IFPCNIYLHXMQHW-UHFFFAOYSA-N 0 3 252.383 2.703 20 30 CFEDHN C=CCOCCCNCc1nc2ccc(Cl)cc2n1C ZINC000657658442 413828050 /nfs/dbraw/zinc/82/80/50/413828050.db2.gz YEFIMKYWMYFGMW-UHFFFAOYSA-N 0 3 293.798 2.909 20 30 CFEDHN C=CCN(C[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)COC ZINC000661240087 413841353 /nfs/dbraw/zinc/84/13/53/413841353.db2.gz LGCLDAPFDXIIEJ-UXLLHSPISA-N 0 3 277.408 2.674 20 30 CFEDHN C=CCN(C[C@H](OC)C1CCCC1)[C@@H](C)COC ZINC000661239164 413841857 /nfs/dbraw/zinc/84/18/57/413841857.db2.gz KAQJNEXMOQHCIQ-ZFWWWQNUSA-N 0 3 255.402 2.715 20 30 CFEDHN C=CCN(CCOc1cccc(OC)c1)[C@@H](C)COC ZINC000661241365 413842367 /nfs/dbraw/zinc/84/23/67/413842367.db2.gz WOVOVYAIMYGKBW-AWEZNQCLSA-N 0 3 279.380 2.597 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285534400 196318387 /nfs/dbraw/zinc/31/83/87/196318387.db2.gz SNKRUXKVOUKEDP-ZACQAIPSSA-N 0 3 284.403 2.557 20 30 CFEDHN C=CCN(CCOc1ccc(F)cc1)[C@@H](C)COC ZINC000661247400 413852394 /nfs/dbraw/zinc/85/23/94/413852394.db2.gz ODVMEOFPRBZGKR-ZDUSSCGKSA-N 0 3 267.344 2.727 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654580995 413915439 /nfs/dbraw/zinc/91/54/39/413915439.db2.gz NLTDUGBSIQOTMW-UONOGXRCSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000285561595 196326526 /nfs/dbraw/zinc/32/65/26/196326526.db2.gz FWGTTXIATMOEMV-SRCQZFHVSA-N 0 3 299.418 2.902 20 30 CFEDHN C=CC[C@H]1CCCN(CCCCCS(=O)(=O)CC)C1 ZINC000661385816 413942101 /nfs/dbraw/zinc/94/21/01/413942101.db2.gz PZJUISADLQKKSA-HNNXBMFYSA-N 0 3 287.469 2.880 20 30 CFEDHN CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285563843 196327851 /nfs/dbraw/zinc/32/78/51/196327851.db2.gz SUBKRLFKKJFNEC-UHFFFAOYSA-N 0 3 262.328 2.951 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000661416760 413964377 /nfs/dbraw/zinc/96/43/77/413964377.db2.gz DDDBUXPQSMQZQQ-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000664868000 413988238 /nfs/dbraw/zinc/98/82/38/413988238.db2.gz VGABEZVZQNGTPC-ZFWWWQNUSA-N 0 3 275.396 2.553 20 30 CFEDHN C=CCCC1(CNC(=O)N[C@@H](C)CN(C)C)CCCC1 ZINC000664897022 413999384 /nfs/dbraw/zinc/99/93/84/413999384.db2.gz QLIWSMCYWMAFHK-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN CCC[C@]1(NCc2ccc(C#N)cc2OC)CCOC1 ZINC000285666587 196359600 /nfs/dbraw/zinc/35/96/00/196359600.db2.gz TYPBLQYKGAFTKK-INIZCTEOSA-N 0 3 274.364 2.616 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CCC2 ZINC001085347357 782020838 /nfs/dbraw/zinc/02/08/38/782020838.db2.gz MBBIEFUMMIZLQX-BFHYXJOUSA-N 0 3 296.842 2.946 20 30 CFEDHN CCC[C@]1(NCc2ccc(OC)c(C#N)c2)CCOC1 ZINC000285709563 196373723 /nfs/dbraw/zinc/37/37/23/196373723.db2.gz WIWUDPCLGHLQDJ-INIZCTEOSA-N 0 3 274.364 2.616 20 30 CFEDHN C#CCOc1ccc(Br)cc1CNC1CC1 ZINC000037486613 173230178 /nfs/dbraw/zinc/23/01/78/173230178.db2.gz AFTDTQQIHWKOEV-UHFFFAOYSA-N 0 3 280.165 2.713 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(N)=O)co1 ZINC000657982730 414087119 /nfs/dbraw/zinc/08/71/19/414087119.db2.gz XBKGGPHWPSOSMB-FZMZJTMJSA-N 0 3 262.353 2.603 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc2n1CCCC2 ZINC000657975039 414082345 /nfs/dbraw/zinc/08/23/45/414082345.db2.gz WGBGMNFFVYJMOD-ZIAGYGMSSA-N 0 3 274.412 2.839 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCCC(CC)(CC)C1 ZINC000661673564 414127548 /nfs/dbraw/zinc/12/75/48/414127548.db2.gz FEUXECXMAFUSRE-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655271375 414164072 /nfs/dbraw/zinc/16/40/72/414164072.db2.gz FLMRHPRPLICJCN-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(CC(=O)N(C)Cc1ccccc1)C(C)(C)C ZINC000661755898 414192965 /nfs/dbraw/zinc/19/29/65/414192965.db2.gz UMWUCRSXVFIENO-UHFFFAOYSA-N 0 3 274.408 2.932 20 30 CFEDHN O[C@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000661831260 414247921 /nfs/dbraw/zinc/24/79/21/414247921.db2.gz NBHBKYALYFJWJH-GJZGRUSLSA-N 0 3 275.779 2.585 20 30 CFEDHN C=CC1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000661899048 414300669 /nfs/dbraw/zinc/30/06/69/414300669.db2.gz TYHMKOWECBFBTD-OAHLLOKOSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000658335054 414385447 /nfs/dbraw/zinc/38/54/47/414385447.db2.gz IDYVWHIDSJYXRW-DZGCQCFKSA-N 0 3 290.407 2.664 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCC[C@H]1C ZINC000662082924 414401829 /nfs/dbraw/zinc/40/18/29/414401829.db2.gz YLBXSZOFAMWARC-KFWWJZLASA-N 0 3 262.397 2.570 20 30 CFEDHN C=CCCCN(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000659270052 414485023 /nfs/dbraw/zinc/48/50/23/414485023.db2.gz SKMUMFQKSWPLLB-OAHLLOKOSA-N 0 3 258.365 2.646 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H]1CC1(C)C ZINC000662348034 414517735 /nfs/dbraw/zinc/51/77/35/414517735.db2.gz POFVZYWAYUGIEY-ZIAGYGMSSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000659521469 414529466 /nfs/dbraw/zinc/52/94/66/414529466.db2.gz YPWQGPLJKFJWPN-GDBMZVCRSA-N 0 3 287.407 2.684 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](N)C(C)C)CCCC1 ZINC000662620521 414578423 /nfs/dbraw/zinc/57/84/23/414578423.db2.gz LPSQUKQGEDLMCM-CYBMUJFWSA-N 0 3 252.402 2.613 20 30 CFEDHN C=CCCN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000656679456 414633731 /nfs/dbraw/zinc/63/37/31/414633731.db2.gz IWSWEWIVLRPYOP-GFCCVEGCSA-N 0 3 265.357 2.646 20 30 CFEDHN C=CCCC(C)(C)NC(=O)C[C@H](N)c1ccccc1 ZINC000662952023 414637283 /nfs/dbraw/zinc/63/72/83/414637283.db2.gz BQCZSAPXMXYJIQ-AWEZNQCLSA-N 0 3 260.381 2.938 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000044532889 175196239 /nfs/dbraw/zinc/19/62/39/175196239.db2.gz GQYMQLVAEMOARR-WHLNPGIBSA-N 0 3 297.402 2.562 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000286380510 196585559 /nfs/dbraw/zinc/58/55/59/196585559.db2.gz ZAZPVHPPSUWMGF-ZDUSSCGKSA-N 0 3 269.747 2.856 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000077541256 177279542 /nfs/dbraw/zinc/27/95/42/177279542.db2.gz VNKJOQQRCCUUMA-MRXNPFEDSA-N 0 3 289.423 2.897 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000334806443 225303629 /nfs/dbraw/zinc/30/36/29/225303629.db2.gz LBIVUJXSRCLDJJ-DZGCQCFKSA-N 0 3 268.360 2.942 20 30 CFEDHN CCOc1ccccc1[C@@H](CC)NC(=O)C(C)C#N ZINC000347127781 226035361 /nfs/dbraw/zinc/03/53/61/226035361.db2.gz FRGAZVAFVBPXQU-WCQYABFASA-N 0 3 260.337 2.812 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000347200517 226083667 /nfs/dbraw/zinc/08/36/67/226083667.db2.gz YCYSERCLOIDTIL-SSDOTTSWSA-N 0 3 288.681 2.717 20 30 CFEDHN Cc1nn(-c2ccccc2)cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000349814745 226850113 /nfs/dbraw/zinc/85/01/13/226850113.db2.gz WBSSHAHNUGDUQY-ZBFHGGJFSA-N 0 3 280.375 2.963 20 30 CFEDHN COc1cccc(CCCN2CCC(F)(C#N)CC2)c1 ZINC000352449463 226953740 /nfs/dbraw/zinc/95/37/40/226953740.db2.gz NBSAWMCKIZDNPF-UHFFFAOYSA-N 0 3 276.355 2.955 20 30 CFEDHN N#CC(C(=O)c1cccc2cnccc21)c1ccncn1 ZINC000354472870 227008138 /nfs/dbraw/zinc/00/81/38/227008138.db2.gz VOALHURIEGCWHZ-CQSZACIVSA-N 0 3 274.283 2.515 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)C(=O)N(C)CCC#N ZINC000354539670 227027379 /nfs/dbraw/zinc/02/73/79/227027379.db2.gz HFCFQMUIRWTZBZ-GJZGRUSLSA-N 0 3 287.407 2.715 20 30 CFEDHN Cc1nccn1CC[NH+]=C([O-])N1CC[C@@H](C)C2(CCC2)C1 ZINC000329103564 227297706 /nfs/dbraw/zinc/29/77/06/227297706.db2.gz GDHRTCWAZINUNS-CYBMUJFWSA-N 0 3 290.411 2.618 20 30 CFEDHN Cc1nc(C)c(CNC(=O)C2CCN(C3CC3)CC2)o1 ZINC000329194476 227349133 /nfs/dbraw/zinc/34/91/33/227349133.db2.gz SYHAUGINGMJESV-UHFFFAOYSA-N 0 3 277.368 2.622 20 30 CFEDHN O=C(C[C@H]1CCCC[C@@H]1O)NC1CCN(C2CC2)CC1 ZINC000329206407 227351821 /nfs/dbraw/zinc/35/18/21/227351821.db2.gz ZOFAGODUXLFOBK-DOMZBBRYSA-N 0 3 280.412 2.511 20 30 CFEDHN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000330121243 228044018 /nfs/dbraw/zinc/04/40/18/228044018.db2.gz GSUKFZNGGRPCHW-ZIAGYGMSSA-N 0 3 293.411 2.911 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)NCc1cccs1 ZINC000330258648 228083074 /nfs/dbraw/zinc/08/30/74/228083074.db2.gz MRAJGAUFICGPLT-ZLKJLUDKSA-N 0 3 294.420 2.750 20 30 CFEDHN CN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CCN(C)CC1 ZINC000353344140 228088630 /nfs/dbraw/zinc/08/86/30/228088630.db2.gz BQHJCNLIKWEVFV-MRXNPFEDSA-N 0 3 299.418 2.627 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000336000950 228176951 /nfs/dbraw/zinc/17/69/51/228176951.db2.gz GNSOKIHBBANBEY-HIFRSBDPSA-N 0 3 256.349 2.627 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ncccc2Cl)CC1 ZINC000336112503 228189907 /nfs/dbraw/zinc/18/99/07/228189907.db2.gz XPHXKUWECFRTAV-JTQLQIEISA-N 0 3 277.755 2.601 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2(C)CCCCCC2)CC1 ZINC000180043772 260090026 /nfs/dbraw/zinc/09/00/26/260090026.db2.gz IOXLQGGTJKJPDQ-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C=CC[C@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000116931918 260007404 /nfs/dbraw/zinc/00/74/04/260007404.db2.gz QCAZWSDGDSOESK-LBPRGKRZSA-N 0 3 261.369 2.834 20 30 CFEDHN C=C(Cl)CNCC(C)(C)NC(=O)OC(C)(C)C ZINC000306841025 260128736 /nfs/dbraw/zinc/12/87/36/260128736.db2.gz FENXMTWZBYNWAI-UHFFFAOYSA-N 0 3 262.781 2.632 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(CC)c2)CC1 ZINC000180753669 260110923 /nfs/dbraw/zinc/11/09/23/260110923.db2.gz XSNZNQGNZDFBDY-UHFFFAOYSA-N 0 3 284.403 2.841 20 30 CFEDHN C=CCCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000117884371 260117410 /nfs/dbraw/zinc/11/74/10/260117410.db2.gz DLUFBPKKPCFKKL-UHFFFAOYSA-N 0 3 279.815 2.819 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407989245 260153601 /nfs/dbraw/zinc/15/36/01/260153601.db2.gz IZHMDEMNYBPDKB-SQWLQELKSA-N 0 3 291.439 2.551 20 30 CFEDHN CCN(CC#N)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000357401819 260198702 /nfs/dbraw/zinc/19/87/02/260198702.db2.gz GMTLOKVFLZETIS-UHFFFAOYSA-N 0 3 285.391 2.657 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCCCCC1 ZINC000048392814 260199402 /nfs/dbraw/zinc/19/94/02/260199402.db2.gz HEUJBNODTSMHLB-MRXNPFEDSA-N 0 3 279.428 2.695 20 30 CFEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCCC[C@@H]2O)C1 ZINC000086037960 260206786 /nfs/dbraw/zinc/20/67/86/260206786.db2.gz LYHDWYHSNWIQIZ-YZUHTNEWSA-N 0 3 270.376 2.503 20 30 CFEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCCC[C@H]2O)C1 ZINC000086037970 260206886 /nfs/dbraw/zinc/20/68/86/260206886.db2.gz LYHDWYHSNWIQIZ-VUROTCPHSA-N 0 3 270.376 2.503 20 30 CFEDHN N#CC1(c2ccccc2)CC(NCC2(O)CCCCC2)C1 ZINC000087017213 260211397 /nfs/dbraw/zinc/21/13/97/260211397.db2.gz DDQHNYVURXZMAZ-UHFFFAOYSA-N 0 3 284.403 2.895 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449212572 260295608 /nfs/dbraw/zinc/29/56/08/260295608.db2.gz ZUPIZNJOFDPGHS-SKDRFNHKSA-N 0 3 285.309 2.865 20 30 CFEDHN Cc1cccc(N2CCN(CCCSCC#N)CC2)c1 ZINC000080626186 260317004 /nfs/dbraw/zinc/31/70/04/260317004.db2.gz QVUXBIPVKCUKQD-UHFFFAOYSA-N 0 3 289.448 2.764 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC(C)(CC)CC2)CC1 ZINC000518023222 260336183 /nfs/dbraw/zinc/33/61/83/260336183.db2.gz OIDHFQFEPLTPFX-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@H]1C[C@H](NCC2(C#N)CC2)CN(Cc2ccccc2)C1 ZINC000518053157 260339140 /nfs/dbraw/zinc/33/91/40/260339140.db2.gz SFJJYYVBOOSLQD-RDJZCZTQSA-N 0 3 283.419 2.790 20 30 CFEDHN C=CCN(CC(=O)N(CC)CCC#N)CC1CCCCC1 ZINC000112202312 260660166 /nfs/dbraw/zinc/66/01/66/260660166.db2.gz QKUGFQIXDIRVBI-UHFFFAOYSA-N 0 3 291.439 2.817 20 30 CFEDHN C=C(C)CN(CCOCCOC)Cc1ccccc1 ZINC000155448960 260766560 /nfs/dbraw/zinc/76/65/60/260766560.db2.gz BKEOVLXNGORAKV-UHFFFAOYSA-N 0 3 263.381 2.728 20 30 CFEDHN C=CCCCC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000360317410 260977585 /nfs/dbraw/zinc/97/75/85/260977585.db2.gz OKPKNZLLGHJCAD-UHFFFAOYSA-N 0 3 276.380 2.922 20 30 CFEDHN N#CCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000153568338 261080431 /nfs/dbraw/zinc/08/04/31/261080431.db2.gz JZLVCIHVQURITR-UHFFFAOYSA-N 0 3 257.337 2.525 20 30 CFEDHN C=CCCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000102337178 261215164 /nfs/dbraw/zinc/21/51/64/261215164.db2.gz KSZFPKFUYVNBPH-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000448800733 261250488 /nfs/dbraw/zinc/25/04/88/261250488.db2.gz MPCKEYFCVUUVLY-YOEHRIQHSA-N 0 3 291.439 2.553 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](C)CC1 ZINC000249843833 261258761 /nfs/dbraw/zinc/25/87/61/261258761.db2.gz ZLSJQXJUCMHEQT-LSDHHAIUSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)OCCC(C)C)CC1 ZINC000106035590 261320734 /nfs/dbraw/zinc/32/07/34/261320734.db2.gz ZVZQEYXILLGICH-HNNXBMFYSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000106039891 261320855 /nfs/dbraw/zinc/32/08/55/261320855.db2.gz GAEQNLPGTYXFSE-UHFFFAOYSA-N 0 3 272.392 2.765 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000106264767 261322960 /nfs/dbraw/zinc/32/29/60/261322960.db2.gz RDNNHKIYJMYJCL-ZBFHGGJFSA-N 0 3 293.455 2.905 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000302751677 261354307 /nfs/dbraw/zinc/35/43/07/261354307.db2.gz LNFLZOBBLGMJRL-ZOBUZTSGSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCSCCNCc1cc(OC)c(OC)c(OC)c1 ZINC000105462538 261358958 /nfs/dbraw/zinc/35/89/58/261358958.db2.gz GKQKHVYTLAMNLP-UHFFFAOYSA-N 0 3 297.420 2.721 20 30 CFEDHN Cc1ccc([C@@H](C)NCCC(=O)N(C)CCC#N)cc1F ZINC000181370879 261428982 /nfs/dbraw/zinc/42/89/82/261428982.db2.gz GAVDFLHYYLZPDD-CYBMUJFWSA-N 0 3 291.370 2.547 20 30 CFEDHN C[C@@H]1CSCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000179664538 261807245 /nfs/dbraw/zinc/80/72/45/261807245.db2.gz MFEPDJZVMAWHJD-CQSZACIVSA-N 0 3 289.448 2.974 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000106341339 261835256 /nfs/dbraw/zinc/83/52/56/261835256.db2.gz UYALMQNCQLIGEC-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccccc1C ZINC000181539437 261900580 /nfs/dbraw/zinc/90/05/80/261900580.db2.gz JWILNCJUVVGVOV-DZGCQCFKSA-N 0 3 287.407 2.654 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000309723477 262008749 /nfs/dbraw/zinc/00/87/49/262008749.db2.gz MUOSCDCNRHKUPU-UWWQBHOKSA-N 0 3 299.418 2.705 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)OC)c([O-])c1 ZINC000188127817 262149746 /nfs/dbraw/zinc/14/97/46/262149746.db2.gz AQPCIFYFKHDFEZ-PILJQMSFSA-N 0 3 264.369 2.692 20 30 CFEDHN C=CCCOCCNCc1cc2ccccc2[nH]c1=O ZINC000120830278 262236597 /nfs/dbraw/zinc/23/65/97/262236597.db2.gz UBVDUKMWEIJTAI-UHFFFAOYSA-N 0 3 272.348 2.623 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(Br)c(C)c1 ZINC000184280748 262276288 /nfs/dbraw/zinc/27/62/88/262276288.db2.gz YAVCHVVMMDVTCL-LBPRGKRZSA-N 0 3 284.197 2.784 20 30 CFEDHN CC(C)N1CCc2nc(CNCCCCC#N)sc2C1 ZINC000364653760 262256393 /nfs/dbraw/zinc/25/63/93/262256393.db2.gz GPHRPHJPOCRQLF-UHFFFAOYSA-N 0 3 292.452 2.693 20 30 CFEDHN CC[C@H](C)[C@H](C)N(CC(=O)N(CC)CCC#N)C1CC1 ZINC000111226855 262258396 /nfs/dbraw/zinc/25/83/96/262258396.db2.gz YGNPAWDWKAOKEB-KBPBESRZSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000111258826 262258744 /nfs/dbraw/zinc/25/87/44/262258744.db2.gz CJLGYYCDQPOUHT-UHFFFAOYSA-N 0 3 256.349 2.835 20 30 CFEDHN C=CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000111260234 262259023 /nfs/dbraw/zinc/25/90/23/262259023.db2.gz OHUZDATWGXZQOI-OAHLLOKOSA-N 0 3 295.810 2.978 20 30 CFEDHN C=CC1CCN(CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000111258239 262259134 /nfs/dbraw/zinc/25/91/34/262259134.db2.gz XGIYJLFTZIBKLK-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)CCCCC1 ZINC000364998286 262266791 /nfs/dbraw/zinc/26/67/91/262266791.db2.gz AENJVTAQIYNLPI-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(OC(F)(F)F)c1 ZINC000184262303 262274812 /nfs/dbraw/zinc/27/48/12/262274812.db2.gz MGMMXRWDMCVZQC-NSHDSACASA-N 0 3 275.270 2.612 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000111530328 262275020 /nfs/dbraw/zinc/27/50/20/262275020.db2.gz MEJQMVCMJNXIPV-CABCVRRESA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000184275018 262275503 /nfs/dbraw/zinc/27/55/03/262275503.db2.gz XWJBPSVYPVIWTE-AWEZNQCLSA-N 0 3 279.380 2.509 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CC(c3ccccc3)C2)CC1 ZINC000365133539 262279958 /nfs/dbraw/zinc/27/99/58/262279958.db2.gz LSFJSQOXCSETHF-UHFFFAOYSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1cc2ccccc2s1 ZINC000184357873 262282637 /nfs/dbraw/zinc/28/26/37/262282637.db2.gz QHQIHNXUCRJXJE-LLVKDONJSA-N 0 3 274.389 2.854 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000354031155 262283168 /nfs/dbraw/zinc/28/31/68/262283168.db2.gz DNQDDBCCFPZSAO-HUUCEWRRSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C)C(C)(C)C1 ZINC000354031156 262283247 /nfs/dbraw/zinc/28/32/47/262283247.db2.gz DNQDDBCCFPZSAO-LSDHHAIUSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC3(CCC3)C2)CC1 ZINC000365319100 262359913 /nfs/dbraw/zinc/35/99/13/262359913.db2.gz XKGMINXOWAAKCI-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN C#CCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000365383533 262363147 /nfs/dbraw/zinc/36/31/47/262363147.db2.gz GZLCGNHMHQCQAJ-WMZOPIPTSA-N 0 3 284.403 2.524 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000365383532 262363244 /nfs/dbraw/zinc/36/32/44/262363244.db2.gz GZLCGNHMHQCQAJ-SJLPKXTDSA-N 0 3 284.403 2.524 20 30 CFEDHN C=C(C)COc1cc(CN(C)C2CC(O)C2)ccc1OC ZINC000355362176 262364350 /nfs/dbraw/zinc/36/43/50/262364350.db2.gz IKESPTLSYHKBIA-UHFFFAOYSA-N 0 3 291.391 2.605 20 30 CFEDHN CC#CCN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000365563033 262370519 /nfs/dbraw/zinc/37/05/19/262370519.db2.gz AVVOTAGZECMOLO-QGZVFWFLSA-N 0 3 276.424 2.513 20 30 CFEDHN Cc1ccccc1[C@H](N[C@@H](C)C(=O)N(C)CCC#N)C1CC1 ZINC000271997799 263001132 /nfs/dbraw/zinc/00/11/32/263001132.db2.gz HKIAJOZVXIEGNU-WMLDXEAASA-N 0 3 299.418 2.796 20 30 CFEDHN Cc1ccccc1[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)C1CC1 ZINC000271997800 263001221 /nfs/dbraw/zinc/00/12/21/263001221.db2.gz HKIAJOZVXIEGNU-YOEHRIQHSA-N 0 3 299.418 2.796 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C(=O)OCC)co1 ZINC000437251360 263007679 /nfs/dbraw/zinc/00/76/79/263007679.db2.gz ZVUJKWSDSZKENV-DOMZBBRYSA-N 0 3 293.363 2.527 20 30 CFEDHN COc1ccc(OC)c(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000274250523 263022301 /nfs/dbraw/zinc/02/23/01/263022301.db2.gz YQBIQEOQNDTJEY-OCCSQVGLSA-N 0 3 274.364 2.876 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000274618386 263027808 /nfs/dbraw/zinc/02/78/08/263027808.db2.gz LSJXHOVJEZUMRA-KCQAQPDRSA-N 0 3 281.363 2.610 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000275112007 263032645 /nfs/dbraw/zinc/03/26/45/263032645.db2.gz HIFSEDXTKVOFOF-QGZVFWFLSA-N 0 3 288.391 2.573 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000278325854 263046921 /nfs/dbraw/zinc/04/69/21/263046921.db2.gz GPUMFTWDWFHDGF-BSWAZPDLSA-N 0 3 285.391 2.974 20 30 CFEDHN Cc1cccc(OCCN(C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000278651216 263049398 /nfs/dbraw/zinc/04/93/98/263049398.db2.gz PVGLUXBKPLWVIQ-GJZGRUSLSA-N 0 3 258.365 2.998 20 30 CFEDHN CN(C(=O)CC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000279059572 263052559 /nfs/dbraw/zinc/05/25/59/263052559.db2.gz SGLGVIMPDRSJTN-MRXNPFEDSA-N 0 3 299.418 2.659 20 30 CFEDHN CN(C(=O)CC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000279059568 263052714 /nfs/dbraw/zinc/05/27/14/263052714.db2.gz SGLGVIMPDRSJTN-INIZCTEOSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279312158 263054517 /nfs/dbraw/zinc/05/45/17/263054517.db2.gz NGNRZIBVZGPPJD-KCXAZCMYSA-N 0 3 281.359 2.545 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279317167 263054638 /nfs/dbraw/zinc/05/46/38/263054638.db2.gz FRBCKQIQPRQIEB-COXVUDFISA-N 0 3 295.386 2.935 20 30 CFEDHN C[C@@H]1CCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279312155 263054683 /nfs/dbraw/zinc/05/46/83/263054683.db2.gz NGNRZIBVZGPPJD-DAXOMENPSA-N 0 3 281.359 2.545 20 30 CFEDHN CCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279498028 263055974 /nfs/dbraw/zinc/05/59/74/263055974.db2.gz QBYUQXGVGCMGEU-INIZCTEOSA-N 0 3 283.375 2.937 20 30 CFEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000280329845 263060437 /nfs/dbraw/zinc/06/04/37/263060437.db2.gz HDJNPMUCNPQHHG-CKEIUWERSA-N 0 3 295.386 2.888 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280383329 263061069 /nfs/dbraw/zinc/06/10/69/263061069.db2.gz KAUNZSCZBIOABV-CXAGYDPISA-N 0 3 295.386 2.935 20 30 CFEDHN CN(C)CC1(NC(=O)c2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000281034801 263065936 /nfs/dbraw/zinc/06/59/36/263065936.db2.gz IGQSMPMFWGTQSQ-UHFFFAOYSA-N 0 3 299.418 2.702 20 30 CFEDHN Cc1cccc(CNC(=O)C(C)C#N)c1Br ZINC000336533458 263070452 /nfs/dbraw/zinc/07/04/52/263070452.db2.gz ODHQGKYDJSEHDF-SECBINFHSA-N 0 3 281.153 2.533 20 30 CFEDHN COc1cccc(CNCC2CCC(C#N)CC2)n1 ZINC000281674579 263071245 /nfs/dbraw/zinc/07/12/45/263071245.db2.gz LWLMPLQFYVYEDE-UHFFFAOYSA-N 0 3 259.353 2.510 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000285121617 263090342 /nfs/dbraw/zinc/09/03/42/263090342.db2.gz VPDFAVGWENLNHG-FUHWJXTLSA-N 0 3 299.418 2.880 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000285160284 263090667 /nfs/dbraw/zinc/09/06/67/263090667.db2.gz PKAOHXMHUZSDMI-DOTOQJQBSA-N 0 3 287.407 2.654 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000340224055 263097956 /nfs/dbraw/zinc/09/79/56/263097956.db2.gz UMUKAWLWKRHXHZ-ZMSDIMECSA-N 0 3 286.419 2.945 20 30 CFEDHN C[C@H]1[C@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000288251427 263103905 /nfs/dbraw/zinc/10/39/05/263103905.db2.gz OTPZGSCPAURIPV-GOEBONIOSA-N 0 3 299.418 2.705 20 30 CFEDHN Cn1nccc1C1=CCN(CC(C)(C)CCC#N)CC1 ZINC000289101926 263107642 /nfs/dbraw/zinc/10/76/42/263107642.db2.gz CFVFZNQIWFSUID-UHFFFAOYSA-N 0 3 272.396 2.839 20 30 CFEDHN C=CCC[C@H](N[C@@H](CCO)CSC)c1ccco1 ZINC000353514523 263107840 /nfs/dbraw/zinc/10/78/40/263107840.db2.gz HEZFUKUYAZXNSP-STQMWFEESA-N 0 3 269.410 2.991 20 30 CFEDHN N#CC1CCC(C[NH2+][C@@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000290423633 263116522 /nfs/dbraw/zinc/11/65/22/263116522.db2.gz UVODHUZPXPJASJ-ZBCRRDGASA-N 0 3 295.390 2.814 20 30 CFEDHN N#CC1CCC(CN[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000290423633 263116523 /nfs/dbraw/zinc/11/65/23/263116523.db2.gz UVODHUZPXPJASJ-ZBCRRDGASA-N 0 3 295.390 2.814 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292116625 263128698 /nfs/dbraw/zinc/12/86/98/263128698.db2.gz MTNKZRKYQXBSCU-WBVHZDCISA-N 0 3 299.418 2.850 20 30 CFEDHN CCc1nc(C)c([C@H](C)N(C)CCOCCC#N)s1 ZINC000292677605 263133615 /nfs/dbraw/zinc/13/36/15/263133615.db2.gz BPAVWNCMWJOPGB-LBPRGKRZSA-N 0 3 281.425 2.937 20 30 CFEDHN Cc1nc(C)c([C@H](C)N(C)CCOCCC#N)s1 ZINC000293026860 263137255 /nfs/dbraw/zinc/13/72/55/263137255.db2.gz IQWNSTSJTVNARI-NSHDSACASA-N 0 3 267.398 2.683 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ccncc3)CC2)C1 ZINC000293678185 263146662 /nfs/dbraw/zinc/14/66/62/263146662.db2.gz AHHCTFCMLAJOBX-CJNGLKHVSA-N 0 3 255.365 2.953 20 30 CFEDHN CN1CCN([C@@H]2CC[C@H](C#N)C2)C[C@H]1Cc1ccccc1 ZINC000293685356 263147082 /nfs/dbraw/zinc/14/70/82/263147082.db2.gz AWRYJGRDBYGCNZ-RCCFBDPRSA-N 0 3 283.419 2.537 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(CO)(c3ccccc3)CC2)C1 ZINC000293692809 263147119 /nfs/dbraw/zinc/14/71/19/263147119.db2.gz WMAAIHFQRBRVIG-WBVHZDCISA-N 0 3 284.403 2.705 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@](CO)(Cc3ccccc3)C2)C1 ZINC000293700626 263147431 /nfs/dbraw/zinc/14/74/31/263147431.db2.gz XAJALWMAFJBOFJ-GUDVDZBRSA-N 0 3 298.430 2.996 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1ccc(OC(F)F)cc1 ZINC000293894378 263151836 /nfs/dbraw/zinc/15/18/36/263151836.db2.gz VMDCVBNBVHMCEU-LLVKDONJSA-N 0 3 284.306 2.869 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(O)(c3ccccc3)CC2)C1 ZINC000294649932 263165436 /nfs/dbraw/zinc/16/54/36/263165436.db2.gz QOYNXHJOUYIBJQ-GDBMZVCRSA-N 0 3 270.376 2.662 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccc(F)nc3)CC2)C1 ZINC000294771990 263167366 /nfs/dbraw/zinc/16/73/66/263167366.db2.gz ZGSHYJBQHKTADO-QWHCGFSZSA-N 0 3 289.354 2.756 20 30 CFEDHN CO[C@H](Cc1ccccc1)CN1CCC(C)(C#N)CC1 ZINC000294920328 263169286 /nfs/dbraw/zinc/16/92/86/263169286.db2.gz GNYFPHWGNXQKLP-MRXNPFEDSA-N 0 3 272.392 2.870 20 30 CFEDHN COc1c(O)cccc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000295008374 263170900 /nfs/dbraw/zinc/17/09/00/263170900.db2.gz JDZQDANKELEYFP-AAEUAGOBSA-N 0 3 260.337 2.573 20 30 CFEDHN Cc1ccccc1-n1cc(CN[C@H]2CC[C@@H](CC#N)C2)nn1 ZINC000295128556 263173082 /nfs/dbraw/zinc/17/30/82/263173082.db2.gz XQNXVWZYGYBHIJ-GJZGRUSLSA-N 0 3 295.390 2.748 20 30 CFEDHN C[C@@H](C#N)N(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000297969334 263213367 /nfs/dbraw/zinc/21/33/67/263213367.db2.gz VUVQSGSGWHTJSU-HNNXBMFYSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@@H](CCC#N)N1CCCN(c2ccccc2)CC1 ZINC000298142715 263215835 /nfs/dbraw/zinc/21/58/35/263215835.db2.gz OHWZZGUASFRWQO-HNNXBMFYSA-N 0 3 257.381 2.891 20 30 CFEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 ZINC000298394439 263218949 /nfs/dbraw/zinc/21/89/49/263218949.db2.gz DUEJDRBNOBUZGB-STQMWFEESA-N 0 3 294.420 2.823 20 30 CFEDHN C#CCCCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000119832482 263278283 /nfs/dbraw/zinc/27/82/83/263278283.db2.gz LSUXIULKISHZPX-MRXNPFEDSA-N 0 3 286.419 2.817 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000120332532 263283153 /nfs/dbraw/zinc/28/31/53/263283153.db2.gz IHVLMYFQUSZGNS-KGLIPLIRSA-N 0 3 290.407 2.815 20 30 CFEDHN C=CCN(CC[C@H]1CCOC1=O)Cc1ccc(OC)cc1 ZINC000120214515 263284025 /nfs/dbraw/zinc/28/40/25/263284025.db2.gz GTJMZAKMYZLICA-HNNXBMFYSA-N 0 3 289.375 2.636 20 30 CFEDHN C#CCOc1ccc(CN(C)CCc2ccccn2)cc1 ZINC000120814749 263287992 /nfs/dbraw/zinc/28/79/92/263287992.db2.gz YSJYAKRVBYMSLY-UHFFFAOYSA-N 0 3 280.371 2.768 20 30 CFEDHN C=CCCOCCNCc1ccc(OC)c(F)c1 ZINC000120848403 263288562 /nfs/dbraw/zinc/28/85/62/263288562.db2.gz KGOWGFYVSXGHRJ-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cnc(C(C)C)s1 ZINC000341279913 263330049 /nfs/dbraw/zinc/33/00/49/263330049.db2.gz UAXKWLFTEAKUJT-LLVKDONJSA-N 0 3 254.399 2.541 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341427058 263337182 /nfs/dbraw/zinc/33/71/82/263337182.db2.gz FALZZQMSSPPHJO-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)c1ccccc1OCCN(C)C ZINC000341636322 263345179 /nfs/dbraw/zinc/34/51/79/263345179.db2.gz KZRUNXYUMDSZDJ-CQSZACIVSA-N 0 3 290.407 2.712 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000341886198 263363315 /nfs/dbraw/zinc/36/33/15/263363315.db2.gz XGLABLVUVWLNTP-ZJUUUORDSA-N 0 3 273.298 2.939 20 30 CFEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCCC[C@H]1C ZINC000341930628 263368734 /nfs/dbraw/zinc/36/87/34/263368734.db2.gz WLZAKBWDIUYYMU-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000342123590 263389707 /nfs/dbraw/zinc/38/97/07/263389707.db2.gz WZKVPJOYHYSTHB-VYDXJSESSA-N 0 3 293.455 2.797 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CCC)CCN1CCCC1 ZINC000342190187 263397083 /nfs/dbraw/zinc/39/70/83/263397083.db2.gz BNIPRXWMFFEHHM-HNNXBMFYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000342724494 263479143 /nfs/dbraw/zinc/47/91/43/263479143.db2.gz REJMYOLAEAOVEC-ZDUSSCGKSA-N 0 3 252.402 2.674 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC000330677166 264014844 /nfs/dbraw/zinc/01/48/44/264014844.db2.gz VAPHKTYXXBEZLR-ZDUSSCGKSA-N 0 3 291.395 2.578 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCCC1 ZINC000330675635 264015073 /nfs/dbraw/zinc/01/50/73/264015073.db2.gz SLXROPBURHBMJH-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)C1(C#N)CCCCC1 ZINC000330735645 264037382 /nfs/dbraw/zinc/03/73/82/264037382.db2.gz MMNUCYBDYAAOBK-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN CCO[C@H](C)c1ncc(C(=O)NC2CCN(C)CC2)s1 ZINC000330879354 264061504 /nfs/dbraw/zinc/06/15/04/264061504.db2.gz AWWYPXRAWXFDMO-SNVBAGLBSA-N 0 3 297.424 2.639 20 30 CFEDHN CC[C@H](C(=O)N[C@@]1(C#N)CCC[C@H](C)C1)N(CC)CC ZINC000330883401 264062216 /nfs/dbraw/zinc/06/22/16/264062216.db2.gz BEXCRMXWESLQJN-LZWOXQAQSA-N 0 3 279.428 2.695 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000330852003 264068408 /nfs/dbraw/zinc/06/84/08/264068408.db2.gz QLTHDAKVHIAPJI-INMHGKMJSA-N 0 3 291.439 2.717 20 30 CFEDHN CCN1CCC[C@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC000330956738 264087458 /nfs/dbraw/zinc/08/74/58/264087458.db2.gz HUICEEYOQNCORJ-AWEZNQCLSA-N 0 3 291.395 2.658 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)NCCN2CCCCC2)c1C ZINC000331064505 264111697 /nfs/dbraw/zinc/11/16/97/264111697.db2.gz FBZVAJVEIOIWHC-ZDUSSCGKSA-N 0 3 292.427 2.953 20 30 CFEDHN C=CCn1cc(CNCCC2CCCCCC2)nn1 ZINC000425360545 264142499 /nfs/dbraw/zinc/14/24/99/264142499.db2.gz XPPAGSKZYBRPDK-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN Cc1cc2cc[nH]c2cc1NC(=O)NC[C@H](C)N(C)C ZINC000331279098 264171445 /nfs/dbraw/zinc/17/14/45/264171445.db2.gz ALOOYHDPWCRPOV-NSHDSACASA-N 0 3 274.368 2.752 20 30 CFEDHN CC[C@H](C(=O)NC1(C#N)CCC(C(C)(C)C)CC1)N(C)C ZINC000331308112 264185389 /nfs/dbraw/zinc/18/53/89/264185389.db2.gz BHZKODASLRLHFW-XOYHFGRZSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@H]1[C@@H](CO)CCN1Cc1cccc(OCCCC#N)c1 ZINC000425998307 264304483 /nfs/dbraw/zinc/30/44/83/264304483.db2.gz HUHBZZKLYKKFQF-GOEBONIOSA-N 0 3 288.391 2.572 20 30 CFEDHN C[C@H]1[C@H](CO)CCN1Cc1cccc(OCCCC#N)c1 ZINC000425998308 264304560 /nfs/dbraw/zinc/30/45/60/264304560.db2.gz HUHBZZKLYKKFQF-HOCLYGCPSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180098084 264390877 /nfs/dbraw/zinc/39/08/77/264390877.db2.gz ZOQWHGZLARLKRN-ZBFHGGJFSA-N 0 3 258.365 2.514 20 30 CFEDHN CCN(CC)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccco1 ZINC000442792432 265005940 /nfs/dbraw/zinc/00/59/40/265005940.db2.gz MHIRYNTZVKBIFZ-RBSFLKMASA-N 0 3 275.396 2.944 20 30 CFEDHN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C(C)C#N ZINC000347739994 265134281 /nfs/dbraw/zinc/13/42/81/265134281.db2.gz ZMBXVLRGZIEVSB-RISCZKNCSA-N 0 3 262.328 2.669 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000514654656 266029633 /nfs/dbraw/zinc/02/96/33/266029633.db2.gz DUCZHROTCRTDQL-STQMWFEESA-N 0 3 278.352 2.881 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1cccc2c1CCNC2 ZINC000514661993 266031378 /nfs/dbraw/zinc/03/13/78/266031378.db2.gz XZQUWJQMTSEBGT-UHFFFAOYSA-N 0 3 271.364 2.538 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000356311098 266094190 /nfs/dbraw/zinc/09/41/90/266094190.db2.gz AKHJMYYGXAEDDC-ZIAGYGMSSA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CC(C)=C[C@H](C)C2)C1=O ZINC000356320143 266095282 /nfs/dbraw/zinc/09/52/82/266095282.db2.gz NZIMUODLGSDISY-BPUTZDHNSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCCC[C@H](C)N(C)Cc1cnc(N(C)C)nc1 ZINC000356439858 266114820 /nfs/dbraw/zinc/11/48/20/266114820.db2.gz ZXDAQMCEZNWNMY-ZDUSSCGKSA-N 0 3 262.401 2.719 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)C1CCC1 ZINC000357028102 266235209 /nfs/dbraw/zinc/23/52/09/266235209.db2.gz AWJDIEIRQDVIOA-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN CCOC[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000313465808 266282274 /nfs/dbraw/zinc/28/22/74/266282274.db2.gz DNUSMBHYBKBJCQ-INIZCTEOSA-N 0 3 258.365 2.949 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2)CC1 ZINC000358160499 266431288 /nfs/dbraw/zinc/43/12/88/266431288.db2.gz VOKDVGZMFOSTGU-UHFFFAOYSA-N 0 3 287.407 2.526 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000453329565 266828832 /nfs/dbraw/zinc/82/88/32/266828832.db2.gz APKRGYIBOXZTAJ-ZACQAIPSSA-N 0 3 268.360 2.869 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000362370675 266971426 /nfs/dbraw/zinc/97/14/26/266971426.db2.gz MNJNYQLBIXAEIF-HOCLYGCPSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCC[C@H](O)CN1CCc2c(C)cc(C)cc2C1 ZINC000362582023 267010343 /nfs/dbraw/zinc/01/03/43/267010343.db2.gz UHLTWTHCUPZBTO-INIZCTEOSA-N 0 3 259.393 2.989 20 30 CFEDHN C=C(C)CN1CCC(Cc2occc2C(=O)OC)CC1 ZINC000362660253 267031951 /nfs/dbraw/zinc/03/19/51/267031951.db2.gz VPHTYXWDVUHRGE-UHFFFAOYSA-N 0 3 277.364 2.897 20 30 CFEDHN C=C(C)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000368010428 267133971 /nfs/dbraw/zinc/13/39/71/267133971.db2.gz AUFIKJIABOQGHZ-UONOGXRCSA-N 0 3 280.412 2.751 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]1SC ZINC000459568451 267152926 /nfs/dbraw/zinc/15/29/26/267152926.db2.gz ZZCJJEKFRDUUIO-ZNMIVQPWSA-N 0 3 294.395 2.696 20 30 CFEDHN C=CCOCCNCc1c[nH]nc1-c1ccccc1F ZINC000368428988 267171380 /nfs/dbraw/zinc/17/13/80/267171380.db2.gz KGFYWAWMGXXOOG-UHFFFAOYSA-N 0 3 275.327 2.508 20 30 CFEDHN C=C(Br)CN1CCCC12CCOCC2 ZINC000368576701 267187883 /nfs/dbraw/zinc/18/78/83/267187883.db2.gz PREWEPMFHTYSIG-UHFFFAOYSA-N 0 3 260.175 2.540 20 30 CFEDHN C=CCCCN1CCN(c2cccc(OC)c2)CC1 ZINC000117870772 267224001 /nfs/dbraw/zinc/22/40/01/267224001.db2.gz OQCBBLXXOHIPFN-UHFFFAOYSA-N 0 3 260.381 2.783 20 30 CFEDHN CC#CCCN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000369948648 267278546 /nfs/dbraw/zinc/27/85/46/267278546.db2.gz PHEWUYFILAJWCA-MRXNPFEDSA-N 0 3 288.435 2.514 20 30 CFEDHN Cc1noc([C@@H]2CCCN(CCCC(C)(C)C#N)C2)n1 ZINC000370001741 267281322 /nfs/dbraw/zinc/28/13/22/267281322.db2.gz JZGLOGKBXJZFFX-CYBMUJFWSA-N 0 3 276.384 2.887 20 30 CFEDHN Cc1noc([C@H]2CCCN(CCCC(C)(C)C#N)C2)n1 ZINC000370001742 267281508 /nfs/dbraw/zinc/28/15/08/267281508.db2.gz JZGLOGKBXJZFFX-ZDUSSCGKSA-N 0 3 276.384 2.887 20 30 CFEDHN C=CCOc1cccc(CN2CCOC[C@H](C)C2)c1 ZINC000370183406 267296982 /nfs/dbraw/zinc/29/69/82/267296982.db2.gz KWQJMILVVCYJMD-CQSZACIVSA-N 0 3 261.365 2.720 20 30 CFEDHN C#CCCN1CCC(Oc2ccccc2OCC)CC1 ZINC000371185930 267361891 /nfs/dbraw/zinc/36/18/91/267361891.db2.gz UVBPKLDRZWKORO-UHFFFAOYSA-N 0 3 273.376 2.952 20 30 CFEDHN N#CC1(CN[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCC1 ZINC000418145405 267366780 /nfs/dbraw/zinc/36/67/80/267366780.db2.gz XWORUXVDAIBBCA-RBSFLKMASA-N 0 3 262.397 2.865 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCC1(C#N)CCC1 ZINC000418135382 267367867 /nfs/dbraw/zinc/36/78/67/267367867.db2.gz AONDFZSUKTXVQD-NVXWUHKLSA-N 0 3 283.419 2.790 20 30 CFEDHN C#CCCN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000371207354 267370787 /nfs/dbraw/zinc/37/07/87/267370787.db2.gz JTFJJHDNSCBJHE-UHFFFAOYSA-N 0 3 271.286 2.631 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000438905613 267968939 /nfs/dbraw/zinc/96/89/39/267968939.db2.gz ZWKSTBLBAOEYMM-CABCVRRESA-N 0 3 299.418 2.859 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CC2)CC1 ZINC000376798536 268018617 /nfs/dbraw/zinc/01/86/17/268018617.db2.gz INQNGWHENOBZGW-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000377045903 268043459 /nfs/dbraw/zinc/04/34/59/268043459.db2.gz KZDZMMMIESWIAM-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H]2CCC2(C)C)c(C#N)c1C ZINC000519616411 268104849 /nfs/dbraw/zinc/10/48/49/268104849.db2.gz UCBONBDALRTNMR-MFKMUULPSA-N 0 3 289.379 2.873 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000521625173 268263315 /nfs/dbraw/zinc/26/33/15/268263315.db2.gz IGVOKOMZTODYFB-KNHPQMQCSA-N 0 3 297.402 2.501 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000521625172 268263643 /nfs/dbraw/zinc/26/36/43/268263643.db2.gz IGVOKOMZTODYFB-BLMDWJLWSA-N 0 3 297.402 2.501 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000289848873 273487424 /nfs/dbraw/zinc/48/74/24/273487424.db2.gz QHZXKGVGRYFYMM-BLLLJJGKSA-N 0 3 270.376 2.990 20 30 CFEDHN C[C@@H](CO)[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352849649 274228778 /nfs/dbraw/zinc/22/87/78/274228778.db2.gz XOZLEBJVJDWWPM-UWVGGRQHSA-N 0 3 286.297 2.684 20 30 CFEDHN C[C@@]1(NCC#Cc2ccccc2)CCO[C@@H]1C1CC1 ZINC000276920216 274452445 /nfs/dbraw/zinc/45/24/45/274452445.db2.gz HBJKSISKNLSIGM-IAGOWNOFSA-N 0 3 255.361 2.585 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000127466516 274736009 /nfs/dbraw/zinc/73/60/09/274736009.db2.gz PDRUFCZPTSHCJV-INIZCTEOSA-N 0 3 280.375 2.977 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cnccn1 ZINC000285268876 275384900 /nfs/dbraw/zinc/38/49/00/275384900.db2.gz YBZIARZJGXNGIW-HOCLYGCPSA-N 0 3 265.360 2.762 20 30 CFEDHN CC(C)(C)CC[C@H](CO)NCc1ccc(C#N)cc1 ZINC000355726693 275510974 /nfs/dbraw/zinc/51/09/74/275510974.db2.gz IMWBQCVMURGQHS-OAHLLOKOSA-N 0 3 260.381 2.835 20 30 CFEDHN CCC[C@@]1(NCC#Cc2ccc(F)cc2)CCOC1 ZINC000285478005 276036932 /nfs/dbraw/zinc/03/69/32/276036932.db2.gz HWQWRCBTEXIEGH-MRXNPFEDSA-N 0 3 261.340 2.726 20 30 CFEDHN C=CCN1CCC(NC(=O)c2occc2C(C)C)CC1 ZINC000284069220 276895092 /nfs/dbraw/zinc/89/50/92/276895092.db2.gz RTCHAGPSDKXLMX-UHFFFAOYSA-N 0 3 276.380 2.783 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](c1ccccc1)c1ccccn1 ZINC000352979391 276907078 /nfs/dbraw/zinc/90/70/78/276907078.db2.gz JGNVZPKZNPOVPW-CRAIPNDOSA-N 0 3 282.387 2.945 20 30 CFEDHN CN1CC[C@H]2CCN(c3cc(C#N)c4ccccc4n3)[C@@H]2C1 ZINC000364988431 277177990 /nfs/dbraw/zinc/17/79/90/277177990.db2.gz OAODIZIBHYDTQC-SUMWQHHRSA-N 0 3 292.386 2.637 20 30 CFEDHN CC(C)(C)OCCCCN1CCC(F)(C#N)CC1 ZINC000352449493 277213609 /nfs/dbraw/zinc/21/36/09/277213609.db2.gz NJSAVXQTQDATFO-UHFFFAOYSA-N 0 3 256.365 2.909 20 30 CFEDHN CC(C)(CCC#N)CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354699972 277295592 /nfs/dbraw/zinc/29/55/92/277295592.db2.gz GUXSQPCTOJCFEE-GOEBONIOSA-N 0 3 262.397 2.960 20 30 CFEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000274029047 278337282 /nfs/dbraw/zinc/33/72/82/278337282.db2.gz NQEQWRGJBOVUJW-VXGBXAGGSA-N 0 3 285.309 2.663 20 30 CFEDHN C[C@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182817802 278346829 /nfs/dbraw/zinc/34/68/29/278346829.db2.gz ODUWDIHMTVHUHJ-XJKSGUPXSA-N 0 3 283.375 2.538 20 30 CFEDHN CC[C@H](N[C@H](C)[C@H](CO)SC)c1ccc(C#N)cc1 ZINC000278799751 288079850 /nfs/dbraw/zinc/07/98/50/288079850.db2.gz RBUHYACZPKXRSC-UGFHNGPFSA-N 0 3 278.421 2.711 20 30 CFEDHN Cc1nc(NC[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000291597626 279101890 /nfs/dbraw/zinc/10/18/90/279101890.db2.gz IEWRNTHYPWPWSN-INIZCTEOSA-N 0 3 280.375 2.977 20 30 CFEDHN Cc1c([C@@H](C)N[C@H]2CCc3ccc(C#N)cc32)cnn1C ZINC000334980601 280253273 /nfs/dbraw/zinc/25/32/73/280253273.db2.gz AXPMODSEHRMFCQ-DIFFPNOSSA-N 0 3 280.375 2.938 20 30 CFEDHN CC(C)O[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554359922 281890485 /nfs/dbraw/zinc/89/04/85/281890485.db2.gz KCQNJCUFULUBFP-LSDHHAIUSA-N 0 3 273.380 2.635 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000347115200 289235255 /nfs/dbraw/zinc/23/52/55/289235255.db2.gz PRNSMMNLHFMTTG-MDZLAQPJSA-N 0 3 260.312 2.690 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000563018465 290093760 /nfs/dbraw/zinc/09/37/60/290093760.db2.gz IBLHCTZAVHZDKG-WBMJQRKESA-N 0 3 284.407 2.583 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000563216180 290119085 /nfs/dbraw/zinc/11/90/85/290119085.db2.gz HQUMZTBFESQPOH-GHMZBOCLSA-N 0 3 259.309 2.554 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000118399458 290219625 /nfs/dbraw/zinc/21/96/25/290219625.db2.gz RBMGMWNXQOLPOM-PBHICJAKSA-N 0 3 297.402 2.706 20 30 CFEDHN N#Cc1csc(CNCCOCC2CCC2)c1 ZINC000564647441 290220271 /nfs/dbraw/zinc/22/02/71/290220271.db2.gz GMYSWVBFDBIYAY-UHFFFAOYSA-N 0 3 250.367 2.526 20 30 CFEDHN Cc1cc(CN[C@H]2CCN(CC(F)(F)F)C2)ccc1C#N ZINC000565400975 290299219 /nfs/dbraw/zinc/29/92/19/290299219.db2.gz CZDABYCKEHQMRF-AWEZNQCLSA-N 0 3 297.324 2.593 20 30 CFEDHN N#Cc1ccnc(N(CCN2CCCCCC2)C2CCC2)n1 ZINC000567337599 290456213 /nfs/dbraw/zinc/45/62/13/290456213.db2.gz RASAPBXLZUXOIA-UHFFFAOYSA-N 0 3 299.422 2.583 20 30 CFEDHN COc1ccc(C#N)cc1CN(C[C@@H](C)OC)C(C)C ZINC000438063761 295077065 /nfs/dbraw/zinc/07/70/65/295077065.db2.gz DBHSDZKJIASQLM-CYBMUJFWSA-N 0 3 276.380 2.812 20 30 CFEDHN C=CCCCCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000354638852 527164731 /nfs/dbraw/zinc/16/47/31/527164731.db2.gz VPEIDABDOTUEOL-IHRRRGAJSA-N 0 3 252.402 2.720 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000338141941 300911396 /nfs/dbraw/zinc/91/13/96/300911396.db2.gz FBVKBTOMBCDVAP-INIZCTEOSA-N 0 3 297.402 2.567 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085489864 782079251 /nfs/dbraw/zinc/07/92/51/782079251.db2.gz KBHAJDIMVAUNLY-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc2ccccc21 ZINC000119358546 327899168 /nfs/dbraw/zinc/89/91/68/327899168.db2.gz JRASVVYMGBHMGA-KGLIPLIRSA-N 0 3 280.371 2.628 20 30 CFEDHN C=C(C)COc1cc(CNC2(COC)CC2)ccc1OC ZINC000531702001 328025944 /nfs/dbraw/zinc/02/59/44/328025944.db2.gz VVXWXXCOGRWKKR-UHFFFAOYSA-N 0 3 291.391 2.919 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000563338721 328054842 /nfs/dbraw/zinc/05/48/42/328054842.db2.gz NCHVZAZVFSBWRL-BBRMVZONSA-N 0 3 274.408 2.967 20 30 CFEDHN CC(C)N(CCC#N)C(=O)CCN1CCc2ccccc2C1 ZINC000563511936 328070967 /nfs/dbraw/zinc/07/09/67/328070967.db2.gz DJZNCWMTOTYJAO-UHFFFAOYSA-N 0 3 299.418 2.585 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(C2CCC(C)CC2)CC1 ZINC000411271464 328081893 /nfs/dbraw/zinc/08/18/93/328081893.db2.gz LCSGNVNZNBYRRX-PCKAHOCUSA-N 0 3 263.429 2.875 20 30 CFEDHN CN(CCOCCC#N)Cc1ccc(Br)cc1 ZINC000293370348 328094944 /nfs/dbraw/zinc/09/49/44/328094944.db2.gz FSHFVTFXQRZJCL-UHFFFAOYSA-N 0 3 297.196 2.811 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412310013 328108052 /nfs/dbraw/zinc/10/80/52/328108052.db2.gz CXGUYUCMGOLOES-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412583072 328112688 /nfs/dbraw/zinc/11/26/88/328112688.db2.gz SYSUMPIOHJXXAY-OAHLLOKOSA-N 0 3 277.343 2.766 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1-n1ccnn1 ZINC000571395165 328118486 /nfs/dbraw/zinc/11/84/86/328118486.db2.gz HFRWDHGBJLTJDY-HZSPNIEDSA-N 0 3 281.363 2.610 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](C)C2)cc1 ZINC000261394120 328137510 /nfs/dbraw/zinc/13/75/10/328137510.db2.gz QXAQQMMMKTXOOT-HZPDHXFCSA-N 0 3 299.418 2.972 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](CO)C(C)C ZINC000394105126 329099885 /nfs/dbraw/zinc/09/98/85/329099885.db2.gz GRRMELKNKFYIOS-HNNXBMFYSA-N 0 3 263.381 2.606 20 30 CFEDHN CN(CCCSCC#N)CCOCc1ccccc1 ZINC000268350565 328184187 /nfs/dbraw/zinc/18/41/87/328184187.db2.gz RIIQAIBEFQGLMS-UHFFFAOYSA-N 0 3 278.421 2.782 20 30 CFEDHN CC#CCN(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174950978 329161831 /nfs/dbraw/zinc/16/18/31/329161831.db2.gz WVFRHCCBGKNYQI-KRWDZBQOSA-N 0 3 256.393 2.606 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc([S@](C)=O)cc1 ZINC000274641853 328212424 /nfs/dbraw/zinc/21/24/24/328212424.db2.gz RHWUVECZVCOEAH-FFGPMFLQSA-N 0 3 276.405 2.767 20 30 CFEDHN CC(C)(C#N)CCCCN1CCc2cc[nH]c(=O)c2C1 ZINC000278696322 328229784 /nfs/dbraw/zinc/22/97/84/328229784.db2.gz JJWUCBMUXGNKLA-UHFFFAOYSA-N 0 3 273.380 2.865 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(F)cc(Cl)c1 ZINC000321087525 329257275 /nfs/dbraw/zinc/25/72/75/329257275.db2.gz CTKQTHANRHHANB-ZDUSSCGKSA-N 0 3 257.736 2.896 20 30 CFEDHN COc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc(OC)c1 ZINC000292942079 328274101 /nfs/dbraw/zinc/27/41/01/328274101.db2.gz BADJVCODOKNODM-TZMCWYRMSA-N 0 3 274.364 2.828 20 30 CFEDHN CCN(CCC#N)C(=O)CNC(C)(C)c1ccccc1C ZINC000293165208 328274549 /nfs/dbraw/zinc/27/45/49/328274549.db2.gz VUZKETBSDHLKFZ-UHFFFAOYSA-N 0 3 287.407 2.582 20 30 CFEDHN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C#N)C1 ZINC000293603879 328277132 /nfs/dbraw/zinc/27/71/32/328277132.db2.gz PESZQHJNVHIUAZ-TZMCWYRMSA-N 0 3 273.336 2.761 20 30 CFEDHN Cc1cccnc1[C@H](NCCOCCC#N)C(C)C ZINC000293758730 328277716 /nfs/dbraw/zinc/27/77/16/328277716.db2.gz JRFFCTWHYNVYEJ-CQSZACIVSA-N 0 3 261.369 2.607 20 30 CFEDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C#N)C1 ZINC000294127930 328279359 /nfs/dbraw/zinc/27/93/59/328279359.db2.gz NOTWAXAGVKGSNV-KGLIPLIRSA-N 0 3 273.336 2.761 20 30 CFEDHN C=CCCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340507213 328286316 /nfs/dbraw/zinc/28/63/16/328286316.db2.gz WRDIVYBTUZXDTJ-HNNXBMFYSA-N 0 3 274.343 2.979 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cnccc1C ZINC001085529167 782087715 /nfs/dbraw/zinc/08/77/15/782087715.db2.gz QSCBYLBSIZUTRG-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN(CCC(C)(C)C)CC2)n1 ZINC000160760182 322342343 /nfs/dbraw/zinc/34/23/43/322342343.db2.gz IAKBUTIQYGEFOY-UHFFFAOYSA-N 0 3 286.423 2.820 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000161458163 322351941 /nfs/dbraw/zinc/35/19/41/322351941.db2.gz NIPYTEZUKUGSHH-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN CO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000162690128 322367585 /nfs/dbraw/zinc/36/75/85/322367585.db2.gz QDYIETBCIMSVDR-ZIAGYGMSSA-N 0 3 264.756 2.869 20 30 CFEDHN CC[C@H](NCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000571150628 322571757 /nfs/dbraw/zinc/57/17/57/322571757.db2.gz MHVWNHGUYLPGNO-AWEZNQCLSA-N 0 3 273.380 2.514 20 30 CFEDHN CC[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000574876268 322709224 /nfs/dbraw/zinc/70/92/24/322709224.db2.gz ASBXUDVKPAISNX-HOTGVXAUSA-N 0 3 299.418 2.998 20 30 CFEDHN CN(C)Cc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000174247345 323645420 /nfs/dbraw/zinc/64/54/20/323645420.db2.gz KXWAIDQVWYHAIS-UHFFFAOYSA-N 0 3 269.348 2.503 20 30 CFEDHN Cc1nc(C)c(CNCCOc2ccc(C#N)cc2)s1 ZINC000174561327 323651321 /nfs/dbraw/zinc/65/13/21/323651321.db2.gz RGCDDONSSKADFL-UHFFFAOYSA-N 0 3 287.388 2.800 20 30 CFEDHN CC(C)c1noc(CCCNCc2cc(C#N)cs2)n1 ZINC000177695265 323701592 /nfs/dbraw/zinc/70/15/92/323701592.db2.gz LHGGVFWEKDAEEW-UHFFFAOYSA-N 0 3 290.392 2.849 20 30 CFEDHN N#Cc1csc(CNCCOc2cccc(F)c2)c1 ZINC000177688508 323701926 /nfs/dbraw/zinc/70/19/26/323701926.db2.gz AMHWKTNSJDIWEK-UHFFFAOYSA-N 0 3 276.336 2.927 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000577035668 324687431 /nfs/dbraw/zinc/68/74/31/324687431.db2.gz QBYAIEAPJXFINI-IXDOHACOSA-N 0 3 297.402 2.752 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN[C@@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 ZINC000581712052 325144758 /nfs/dbraw/zinc/14/47/58/325144758.db2.gz UUOJHBHLMJOIEP-QLFBSQMISA-N 0 3 294.358 2.886 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000037547722 326855719 /nfs/dbraw/zinc/85/57/19/326855719.db2.gz DUDYBFQEWUFLOP-HNNXBMFYSA-N 0 3 286.419 2.632 20 30 CFEDHN CC[C@H]1CN(C)CCN1CCCCC(C)(C)C#N ZINC000577099194 327078285 /nfs/dbraw/zinc/07/82/85/327078285.db2.gz ACBORPDSQYKODU-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000558518240 327101347 /nfs/dbraw/zinc/10/13/47/327101347.db2.gz DBZAWGYCZAOASC-ARFHVFGLSA-N 0 3 291.439 2.649 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC000558723286 327117309 /nfs/dbraw/zinc/11/73/09/327117309.db2.gz UBLBOESYVFMOOF-OLZOCXBDSA-N 0 3 293.794 2.869 20 30 CFEDHN N#CCCOCCN1CCC(OCC2CCCCC2)CC1 ZINC000559105536 327141398 /nfs/dbraw/zinc/14/13/98/327141398.db2.gz CGUSGSGVHPHYRR-UHFFFAOYSA-N 0 3 294.439 2.978 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)F)cc1 ZINC000449429165 327202995 /nfs/dbraw/zinc/20/29/95/327202995.db2.gz ZJPLYBZGFNZCOC-UONOGXRCSA-N 0 3 285.334 2.746 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2.917 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2Cn2cccn2)C1 ZINC000583360765 327319748 /nfs/dbraw/zinc/31/97/48/327319748.db2.gz VASTXOGUTPJJTR-WMLDXEAASA-N 0 3 280.375 2.713 20 30 CFEDHN CC(=O)N1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2C1 ZINC000583435258 327362040 /nfs/dbraw/zinc/36/20/40/327362040.db2.gz GCSKTJRVZUOARS-YXJHDRRASA-N 0 3 297.402 2.762 20 30 CFEDHN COc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000569768901 327546085 /nfs/dbraw/zinc/54/60/85/327546085.db2.gz DNDPGJMYKPHYGC-CYBMUJFWSA-N 0 3 258.365 2.910 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000567679188 327569201 /nfs/dbraw/zinc/56/92/01/327569201.db2.gz OKQKHVGHTKKPFH-HOTGVXAUSA-N 0 3 282.391 2.546 20 30 CFEDHN CC(C)(C)CN(CC(=O)NC1(C#N)CCC1)CC(C)(C)C ZINC000526136123 328760618 /nfs/dbraw/zinc/76/06/18/328760618.db2.gz MLUPEYJBNZETNH-UHFFFAOYSA-N 0 3 293.455 2.943 20 30 CFEDHN N#CC1(NC(=O)CNC2(c3ccccc3)CCCC2)CCC1 ZINC000526287287 328773511 /nfs/dbraw/zinc/77/35/11/328773511.db2.gz OGYMURKPMKQNEQ-UHFFFAOYSA-N 0 3 297.402 2.608 20 30 CFEDHN C=CCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000358664731 328890348 /nfs/dbraw/zinc/89/03/48/328890348.db2.gz MNERYXMWQVVZOQ-UHFFFAOYSA-N 0 3 267.376 2.933 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000116955310 328940096 /nfs/dbraw/zinc/94/00/96/328940096.db2.gz KJJKIXKMGYLNSC-HOCLYGCPSA-N 0 3 289.423 2.862 20 30 CFEDHN N#CCSCCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377768602 329028618 /nfs/dbraw/zinc/02/86/18/329028618.db2.gz RFTKNBKSVCJBFX-ZIAGYGMSSA-N 0 3 280.437 2.667 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](OC)CC1 ZINC000378638350 329057381 /nfs/dbraw/zinc/05/73/81/329057381.db2.gz QVRBDADAFPSJKB-INIZCTEOSA-N 0 3 273.376 2.700 20 30 CFEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000171681616 329078346 /nfs/dbraw/zinc/07/83/46/329078346.db2.gz OUMJVYHQWFWRKL-UHFFFAOYSA-N 0 3 277.412 2.546 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000171696142 329078604 /nfs/dbraw/zinc/07/86/04/329078604.db2.gz ILKZNDALEAHGFX-LZWOXQAQSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1CCC1)C(C)C ZINC000173399551 329146813 /nfs/dbraw/zinc/14/68/13/329146813.db2.gz HWHRPFAOUJOJMK-INIZCTEOSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCCCCCN(C)[C@@H]1CCN(C(C)C)C1=O ZINC000177686345 329189030 /nfs/dbraw/zinc/18/90/30/329189030.db2.gz ZBUPUAGGPDATKM-CQSZACIVSA-N 0 3 252.402 2.674 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000181076198 329225851 /nfs/dbraw/zinc/22/58/51/329225851.db2.gz VDCOXWNLBUBOGK-OAHLLOKOSA-N 0 3 289.423 2.724 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000181118453 329226369 /nfs/dbraw/zinc/22/63/69/329226369.db2.gz QHYKESIUKMGMOD-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN N#CCCCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183351471 329247393 /nfs/dbraw/zinc/24/73/93/329247393.db2.gz SUYGPZZIORSVNV-OAHLLOKOSA-N 0 3 262.328 2.973 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CC(C)C)CC1 ZINC000184765887 329264327 /nfs/dbraw/zinc/26/43/27/329264327.db2.gz RUMMFAWIYRTJIL-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN Cc1ccc([O-])c(C[NH+]2CCC(CCC#N)CC2)n1 ZINC000582965163 329293311 /nfs/dbraw/zinc/29/33/11/329293311.db2.gz HFDVWDNMYRIFNY-UHFFFAOYSA-N 0 3 259.353 2.611 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000185826933 329330013 /nfs/dbraw/zinc/33/00/13/329330013.db2.gz FMPWJGOCKOLMOJ-UXLLHSPISA-N 0 3 297.402 2.854 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC(CC)(CC)CC1 ZINC000186542399 329345126 /nfs/dbraw/zinc/34/51/26/329345126.db2.gz GXPZZXKLUYXMDY-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000583242965 329392625 /nfs/dbraw/zinc/39/26/25/329392625.db2.gz WZLVIRWZAHWXQV-RYUDHWBXSA-N 0 3 292.345 2.952 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCCC1 ZINC000584510289 329504731 /nfs/dbraw/zinc/50/47/31/329504731.db2.gz WVESASQOIRRDBN-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN C=C(C)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000103469162 329534889 /nfs/dbraw/zinc/53/48/89/329534889.db2.gz DKQUUMJTWZMPDJ-UHFFFAOYSA-N 0 3 293.798 2.962 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418647717 329538251 /nfs/dbraw/zinc/53/82/51/329538251.db2.gz YIOFFZQOLBAFJQ-RDJZCZTQSA-N 0 3 299.418 2.624 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1COC(C)(C)C1 ZINC000396663240 329697402 /nfs/dbraw/zinc/69/74/02/329697402.db2.gz PTGOEDBGAMHYBG-AWEZNQCLSA-N 0 3 261.365 2.909 20 30 CFEDHN C[C@@H](N[C@H](C)c1ccc(C2CC2)cc1)C(=O)N(C)CCC#N ZINC000419332266 329717333 /nfs/dbraw/zinc/71/73/33/329717333.db2.gz DLEWXOZBKQFBHH-ZIAGYGMSSA-N 0 3 299.418 2.975 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246764253 329870198 /nfs/dbraw/zinc/87/01/98/329870198.db2.gz ARPMGNVZZIENRE-FOLVSLTJSA-N 0 3 293.455 2.761 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(OC[C@@H]3CCCCO3)CC2)C1 ZINC000429682846 330059299 /nfs/dbraw/zinc/05/92/99/330059299.db2.gz IDKXDNMKMRVAHA-VYDXJSESSA-N 0 3 292.423 2.729 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(OC[C@@H]3CCCCO3)CC2)C1 ZINC000429682844 330059456 /nfs/dbraw/zinc/05/94/56/330059456.db2.gz IDKXDNMKMRVAHA-INMHGKMJSA-N 0 3 292.423 2.729 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](OCC)C(=C)C)CC1 ZINC000270065225 330072281 /nfs/dbraw/zinc/07/22/81/330072281.db2.gz QDMZBMWATYYURB-INIZCTEOSA-N 0 3 294.439 2.514 20 30 CFEDHN C#CC[C@H](NC[C@H]1CC(C(=O)OC)=C(C)O1)c1ccccc1 ZINC000272456128 330086834 /nfs/dbraw/zinc/08/68/34/330086834.db2.gz CVRKQZSINVSIMZ-WBVHZDCISA-N 0 3 299.370 2.577 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccncc1Cl ZINC000421833252 330091290 /nfs/dbraw/zinc/09/12/90/330091290.db2.gz INXJVBDRFFHCHS-QWRGUYRKSA-N 0 3 254.761 2.570 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CC(F)F)c1ccccc1 ZINC000422027844 330117478 /nfs/dbraw/zinc/11/74/78/330117478.db2.gz RGFBXCNMXIQVNT-KOLCDFICSA-N 0 3 252.264 2.659 20 30 CFEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1C(F)(F)F ZINC000424057490 330218486 /nfs/dbraw/zinc/21/84/86/330218486.db2.gz BGGKHGGYIAJILE-GFCCVEGCSA-N 0 3 299.296 2.974 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc2ccccc2o1 ZINC000424058810 330218644 /nfs/dbraw/zinc/21/86/44/330218644.db2.gz ANYKWDPBQHKDSQ-YPMHNXCESA-N 0 3 285.347 2.631 20 30 CFEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424069065 330219715 /nfs/dbraw/zinc/21/97/15/330219715.db2.gz OLGDUUFXEYLHPW-QMTHXVAHSA-N 0 3 295.333 2.505 20 30 CFEDHN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424075031 330220502 /nfs/dbraw/zinc/22/05/02/330220502.db2.gz IJTQLHBLXYEZMA-NSHDSACASA-N 0 3 295.770 2.617 20 30 CFEDHN CC(C)CCN(CCC(C)C)C(=O)[C@H](N)CCCC#N ZINC000424079557 330221514 /nfs/dbraw/zinc/22/15/14/330221514.db2.gz RFLXWOUWBKAVIZ-OAHLLOKOSA-N 0 3 281.444 2.928 20 30 CFEDHN CC(C)(C)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424081783 330223504 /nfs/dbraw/zinc/22/35/04/330223504.db2.gz VQZPRHDMBNCOLJ-CQSZACIVSA-N 0 3 273.380 2.944 20 30 CFEDHN CC(C)c1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424082098 330223527 /nfs/dbraw/zinc/22/35/27/330223527.db2.gz VTKANTFJIBIFKC-CQSZACIVSA-N 0 3 259.353 2.770 20 30 CFEDHN Cc1ccc(Cl)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424081841 330223531 /nfs/dbraw/zinc/22/35/31/330223531.db2.gz KMUJSEPFVRVHSN-NSHDSACASA-N 0 3 265.744 2.608 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000424086502 330223596 /nfs/dbraw/zinc/22/35/96/330223596.db2.gz CCWJCHBRQKRMNY-WFASDCNBSA-N 0 3 291.370 2.756 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000424089315 330224337 /nfs/dbraw/zinc/22/43/37/330224337.db2.gz KTGZOXSPOULWDQ-IRXDYDNUSA-N 0 3 299.418 2.631 20 30 CFEDHN C[C@H](c1c(F)cccc1F)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424089791 330224739 /nfs/dbraw/zinc/22/47/39/330224739.db2.gz IHFMEWFXXWPMJH-MFKMUULPSA-N 0 3 295.333 2.505 20 30 CFEDHN CC(C)(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424090783 330225388 /nfs/dbraw/zinc/22/53/88/330225388.db2.gz MYHARISQQLSPKS-CABCVRRESA-N 0 3 287.407 2.911 20 30 CFEDHN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)cc1C ZINC000424105083 330234185 /nfs/dbraw/zinc/23/41/85/330234185.db2.gz URQDNIIGHXEUFN-IRXDYDNUSA-N 0 3 299.418 2.988 20 30 CFEDHN CC(C)c1cccc(N(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424108651 330234803 /nfs/dbraw/zinc/23/48/03/330234803.db2.gz RTJBWDSOOJWKCA-OAHLLOKOSA-N 0 3 273.380 2.794 20 30 CFEDHN Cc1coc(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)n1 ZINC000424119548 330246840 /nfs/dbraw/zinc/24/68/40/330246840.db2.gz DYKMIIJXEZHQCQ-CQSZACIVSA-N 0 3 298.346 2.610 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000424122801 330254726 /nfs/dbraw/zinc/25/47/26/330254726.db2.gz JSWOWPXHMFAEHB-IXDOHACOSA-N 0 3 299.418 2.535 20 30 CFEDHN Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424125131 330257993 /nfs/dbraw/zinc/25/79/93/330257993.db2.gz NGRTYTRDVZLNTQ-GDBMZVCRSA-N 0 3 287.407 2.844 20 30 CFEDHN C[C@@H](CCC1CCCCC1)NC(=O)[C@@H](N)CCCC#N ZINC000424125543 330258733 /nfs/dbraw/zinc/25/87/33/330258733.db2.gz OBLHQNQYABZFRY-ZFWWWQNUSA-N 0 3 279.428 2.873 20 30 CFEDHN C[C@@H](CCC1CCCCC1)NC(=O)[C@H](N)CCCC#N ZINC000424125539 330258792 /nfs/dbraw/zinc/25/87/92/330258792.db2.gz OBLHQNQYABZFRY-DZGCQCFKSA-N 0 3 279.428 2.873 20 30 CFEDHN CC(C)(C)[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424129587 330260060 /nfs/dbraw/zinc/26/00/60/330260060.db2.gz SFORVOPZJVEKIZ-KBPBESRZSA-N 0 3 279.428 2.682 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NC(=O)[C@H](N)CCCC#N)c1 ZINC000424135884 330270843 /nfs/dbraw/zinc/27/08/43/330270843.db2.gz KAMGBEKHAXTKDM-UKRRQHHQSA-N 0 3 273.380 2.502 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@]2(C)OCC)cc1OC ZINC000527783899 330283203 /nfs/dbraw/zinc/28/32/03/330283203.db2.gz ZGLLNOAVWPAKOU-SJORKVTESA-N 0 3 291.391 2.917 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1c(F)cccc1Cl ZINC000424149575 330295720 /nfs/dbraw/zinc/29/57/20/330295720.db2.gz HGTXMVOPWJHYCR-JOYOIKCWSA-N 0 3 297.761 2.677 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2CC(C)=C[C@@H](C)C2)nn1 ZINC000424166877 330309457 /nfs/dbraw/zinc/30/94/57/330309457.db2.gz BRLWZZBUGZHAGX-OCCSQVGLSA-N 0 3 260.385 2.546 20 30 CFEDHN C[C@H](CCNC(=O)[C@H](N)CCCC#N)CC(C)(C)C ZINC000424186990 330320896 /nfs/dbraw/zinc/32/08/96/330320896.db2.gz JLTWOGIVXMHTRL-CHWSQXEVSA-N 0 3 267.417 2.586 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000424176386 330316589 /nfs/dbraw/zinc/31/65/89/330316589.db2.gz XMVRBLWEMISDBA-GHMZBOCLSA-N 0 3 288.317 2.675 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](C(C)C)C2)nn1 ZINC000424176664 330316811 /nfs/dbraw/zinc/31/68/11/330316811.db2.gz YGNAAPSPZXMKOI-UONOGXRCSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](C(C)C)C2)nn1 ZINC000424176661 330316874 /nfs/dbraw/zinc/31/68/74/330316874.db2.gz YGNAAPSPZXMKOI-KGLIPLIRSA-N 0 3 262.401 2.769 20 30 CFEDHN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](N)CCCC#N)CC2 ZINC000424185169 330320356 /nfs/dbraw/zinc/32/03/56/330320356.db2.gz FMHYCTDMEPXAJN-IAGOWNOFSA-N 0 3 299.418 2.935 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000424187657 330321122 /nfs/dbraw/zinc/32/11/22/330321122.db2.gz AZZVHIWLBZZOPO-SWLSCSKDSA-N 0 3 284.338 2.793 20 30 CFEDHN C=CCc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(OC)c1O ZINC000424189422 330322261 /nfs/dbraw/zinc/32/22/61/330322261.db2.gz DNHPEHIKQYJEPS-SWLSCSKDSA-N 0 3 286.375 2.911 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)Cc1ccsc1 ZINC000424193731 330324394 /nfs/dbraw/zinc/32/43/94/330324394.db2.gz VBHLIATXMHAMAU-OCCSQVGLSA-N 0 3 293.436 2.549 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@@H](C)Cc1ccsc1 ZINC000424193729 330324416 /nfs/dbraw/zinc/32/44/16/330324416.db2.gz VBHLIATXMHAMAU-JSGCOSHPSA-N 0 3 293.436 2.549 20 30 CFEDHN CCN(CC)c1ncc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424198325 330326094 /nfs/dbraw/zinc/32/60/94/330326094.db2.gz OYUVKTMITKRQFV-NWDGAFQWSA-N 0 3 278.425 2.771 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCc2cccc(F)c2)nn1 ZINC000424297911 330336412 /nfs/dbraw/zinc/33/64/12/330336412.db2.gz RIQRSSYPBYDFFB-CYBMUJFWSA-N 0 3 288.370 2.714 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2CCCC)nn1 ZINC000424299145 330336761 /nfs/dbraw/zinc/33/67/61/330336761.db2.gz UZRMODLMXNGVGW-DZGCQCFKSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2CCCC)nn1 ZINC000424299147 330336826 /nfs/dbraw/zinc/33/68/26/330336826.db2.gz UZRMODLMXNGVGW-UKRRQHHQSA-N 0 3 262.401 2.913 20 30 CFEDHN Cc1cc2ncc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)c(C)n2n1 ZINC000424318652 330339865 /nfs/dbraw/zinc/33/98/65/330339865.db2.gz DDXRVZPXPZBSJL-FPMFFAJLSA-N 0 3 283.379 2.689 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000424430585 330351834 /nfs/dbraw/zinc/35/18/34/330351834.db2.gz CMWVXWLGOYRQQR-GFCCVEGCSA-N 0 3 286.379 2.610 20 30 CFEDHN C#CCN1CCC(C(=O)NC2CCC(C(C)C)CC2)CC1 ZINC000119519530 330375189 /nfs/dbraw/zinc/37/51/89/330375189.db2.gz ADVKHAIMAWJYSI-UHFFFAOYSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCN(C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000121251304 330398503 /nfs/dbraw/zinc/39/85/03/330398503.db2.gz FTUQCLJAQLANMG-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C)c1nnc(CCN[C@H]2CCC[C@H](C#N)C2)s1 ZINC000426327865 330504477 /nfs/dbraw/zinc/50/44/77/330504477.db2.gz AXDOZFIFAWIHLL-RYUDHWBXSA-N 0 3 278.425 2.876 20 30 CFEDHN C=CCC[C@H](NCCC(=O)NCCC)c1ccco1 ZINC000428234965 330517180 /nfs/dbraw/zinc/51/71/80/330517180.db2.gz FNBNQFUAKXZQRA-ZDUSSCGKSA-N 0 3 264.369 2.793 20 30 CFEDHN Cc1ccccc1NC(=O)C[C@H](C)NCC1(CC#N)CC1 ZINC000430747578 330572790 /nfs/dbraw/zinc/57/27/90/330572790.db2.gz YDEZIPBILLRATK-AWEZNQCLSA-N 0 3 285.391 2.996 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000430754202 330573203 /nfs/dbraw/zinc/57/32/03/330573203.db2.gz NBFOLERBIQEESM-CYBMUJFWSA-N 0 3 281.363 2.612 20 30 CFEDHN CCCNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433034319 330613380 /nfs/dbraw/zinc/61/33/80/330613380.db2.gz YGKNITMNOIMNBF-OAHLLOKOSA-N 0 3 273.380 2.537 20 30 CFEDHN N#CCC1(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000435957119 330666768 /nfs/dbraw/zinc/66/67/68/330666768.db2.gz KMWYHHZCAFQTGC-UHFFFAOYSA-N 0 3 297.402 2.706 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)C1 ZINC000442711533 330780273 /nfs/dbraw/zinc/78/02/73/330780273.db2.gz SAIFBSJIUOBOJS-IRXDYDNUSA-N 0 3 280.375 2.713 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](CCCO)c2ccccc2)C1 ZINC000442765903 330781683 /nfs/dbraw/zinc/78/16/83/330781683.db2.gz KBMKOELQSIWNSC-VNQPRFMTSA-N 0 3 258.365 2.782 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)[C@@H](O)C(F)F)C1 ZINC000442781198 330782738 /nfs/dbraw/zinc/78/27/38/330782738.db2.gz OBSWTKGDJIVVPD-LXTVHRRPSA-N 0 3 294.345 2.506 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccccc1SC ZINC000442861496 330787872 /nfs/dbraw/zinc/78/78/72/330787872.db2.gz MYXVIEIHAXNBAJ-NEPJUHHUSA-N 0 3 251.395 2.996 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCO[C@H]2C=C)c1 ZINC000449518681 330933113 /nfs/dbraw/zinc/93/31/13/330933113.db2.gz KHNZEMDSNHZNCB-CVEARBPZSA-N 0 3 259.349 2.685 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cccc(OC(F)F)c1 ZINC000449694044 330943919 /nfs/dbraw/zinc/94/39/19/330943919.db2.gz AJFSJPZEOYEEBV-LBPRGKRZSA-N 0 3 271.307 2.705 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(SC)s1 ZINC000449696289 330944380 /nfs/dbraw/zinc/94/43/80/330944380.db2.gz HLDWMDAVJCCTOO-JTQLQIEISA-N 0 3 257.424 2.887 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC000450707951 330994684 /nfs/dbraw/zinc/99/46/84/330994684.db2.gz MGEJDUQRUJKLRC-HOCLYGCPSA-N 0 3 272.392 2.777 20 30 CFEDHN COC(=O)[C@H]1CCCCCC[C@H]1NCC1(C#N)CCC1 ZINC000450755434 330998191 /nfs/dbraw/zinc/99/81/91/330998191.db2.gz BEQCGQAXFXNUIS-UONOGXRCSA-N 0 3 278.396 2.782 20 30 CFEDHN N#CC1(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCC1 ZINC000450868268 331003870 /nfs/dbraw/zinc/00/38/70/331003870.db2.gz VXHIAUKNFPVEDY-BFHYXJOUSA-N 0 3 260.381 2.618 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC2(C#N)CCC2)C1 ZINC000450897559 331005680 /nfs/dbraw/zinc/00/56/80/331005680.db2.gz AMSKPIAKQAJULE-UGUYLWEFSA-N 0 3 276.424 2.942 20 30 CFEDHN C[C@@]1(F)CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000451117362 331016311 /nfs/dbraw/zinc/01/63/11/331016311.db2.gz UXZHICHKURWYAH-CQSZACIVSA-N 0 3 268.376 2.911 20 30 CFEDHN C=CCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451255452 331022068 /nfs/dbraw/zinc/02/20/68/331022068.db2.gz DCNKZAIOAHCHSM-JKSUJKDBSA-N 0 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YUDRGMUUKFBPGU-KRWDZBQOSA-N 0 3 296.455 2.692 20 30 CFEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(F)F ZINC000452882108 331079933 /nfs/dbraw/zinc/07/99/33/331079933.db2.gz XXYJGZZRGPVYHW-WCQYABFASA-N 0 3 280.318 2.919 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453162094 331095828 /nfs/dbraw/zinc/09/58/28/331095828.db2.gz JRLZTRGEWPMKPC-GJZGRUSLSA-N 0 3 299.418 2.922 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CCCCN1CCO)c1ccco1 ZINC000453253255 331107806 /nfs/dbraw/zinc/10/78/06/331107806.db2.gz CUALMSYRMLCZDD-CVEARBPZSA-N 0 3 292.423 2.723 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453330906 331117731 /nfs/dbraw/zinc/11/77/31/331117731.db2.gz BMDCNKUIBLLHHF-DFBGVHRSSA-N 0 3 276.336 2.979 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1nc2ccccc2n1C ZINC000453335706 331118337 /nfs/dbraw/zinc/11/83/37/331118337.db2.gz FPASWUCFVMVXCP-BJJXKVORSA-N 0 3 285.391 2.958 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000453354274 331121382 /nfs/dbraw/zinc/12/13/82/331121382.db2.gz KRCVNKQPGZFYTI-ZNMIVQPWSA-N 0 3 277.339 2.755 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000453364753 331122974 /nfs/dbraw/zinc/12/29/74/331122974.db2.gz QHCULSQFIBDHKY-LYRGGWFBSA-N 0 3 274.364 2.639 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000453366681 331123551 /nfs/dbraw/zinc/12/35/51/331123551.db2.gz SGMNLOBDHYNFIH-RYUDHWBXSA-N 0 3 297.370 2.821 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1sc(C)nc1C ZINC000453380256 331125523 /nfs/dbraw/zinc/12/55/23/331125523.db2.gz ZTNFSCBWJJWKRJ-JLLWLGSASA-N 0 3 252.383 2.754 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453380949 331125643 /nfs/dbraw/zinc/12/56/43/331125643.db2.gz ZUKUVCXYWLMGTO-ZFWWWQNUSA-N 0 3 277.412 2.976 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000453380946 331125728 /nfs/dbraw/zinc/12/57/28/331125728.db2.gz ZUKUVCXYWLMGTO-DZGCQCFKSA-N 0 3 277.412 2.976 20 30 CFEDHN C=CCOc1ccccc1CNCCc1cnc(C)cn1 ZINC000453592860 331135181 /nfs/dbraw/zinc/13/51/81/331135181.db2.gz FQQKJMFYJJZBLN-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCC(C)(C)N1CCCCC1 ZINC000454202476 331141563 /nfs/dbraw/zinc/14/15/63/331141563.db2.gz SLVZADPAYMYZPA-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000454480983 331147094 /nfs/dbraw/zinc/14/70/94/331147094.db2.gz MVSLEJQHEBSTKZ-KBPBESRZSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000455374983 331167743 /nfs/dbraw/zinc/16/77/43/331167743.db2.gz YMYMZCZILTWOOP-HNNXBMFYSA-N 0 3 289.423 2.801 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2=CC[C@H](C)CC2)CC1 ZINC000455483286 331170841 /nfs/dbraw/zinc/17/08/41/331170841.db2.gz DPBGOYDQWYDDDZ-AWEZNQCLSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000455560807 331173105 /nfs/dbraw/zinc/17/31/05/331173105.db2.gz PUJRGRFDGYPHBH-OAHLLOKOSA-N 0 3 275.396 2.555 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)N[C@H]1CC[C@@H](CC#N)C1 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ZINC000458295473 331247618 /nfs/dbraw/zinc/24/76/18/331247618.db2.gz WSCIOMXUGIZXCW-UHFFFAOYSA-N 0 3 290.407 2.978 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000458327455 331248890 /nfs/dbraw/zinc/24/88/90/331248890.db2.gz WNFDPYJLABRVRT-WBVHZDCISA-N 0 3 293.455 2.761 20 30 CFEDHN C=CC(C)(C)CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000458982187 331263645 /nfs/dbraw/zinc/26/36/45/331263645.db2.gz ADLNWRBSHAUXRR-CYBMUJFWSA-N 0 3 281.444 2.570 20 30 CFEDHN C=C(CC)CNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000459071044 331269111 /nfs/dbraw/zinc/26/91/11/331269111.db2.gz GODKNFXFDWGFES-UHFFFAOYSA-N 0 3 293.411 2.627 20 30 CFEDHN N#C[C@H]1CCC[C@@H]1NCCCCC1CCOCC1 ZINC000459458922 331282527 /nfs/dbraw/zinc/28/25/27/331282527.db2.gz HNTCPUNFTUMDPR-CABCVRRESA-N 0 3 250.386 2.865 20 30 CFEDHN CN(C)CC(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC000459552261 331287537 /nfs/dbraw/zinc/28/75/37/331287537.db2.gz UZTUJLIQUZMSOD-UHFFFAOYSA-N 0 3 264.800 2.621 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2C[C@@H](OCC)C2)c1 ZINC000459652749 331292257 /nfs/dbraw/zinc/29/22/57/331292257.db2.gz WWAGVNZWSIMPIT-FZNQNYSPSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(C)(C)c1ncc(CNCC(C)(C)CC#N)cn1 ZINC000459659942 331292673 /nfs/dbraw/zinc/29/26/73/331292673.db2.gz AJDKSOQVJJDCBZ-UHFFFAOYSA-N 0 3 260.385 2.804 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C1CC(C)(C)C1 ZINC000459737147 331297034 /nfs/dbraw/zinc/29/70/34/331297034.db2.gz HLODSILBXQXGAB-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCO[C@H]2CC)c1 ZINC000459742426 331297575 /nfs/dbraw/zinc/29/75/75/331297575.db2.gz OGGIORWCHCOAHQ-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN CC#CCCN1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000462476665 331322639 /nfs/dbraw/zinc/32/26/39/331322639.db2.gz VFRWOGOIFVMBRU-GOSISDBHSA-N 0 3 270.420 2.996 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC)CC(C)(C)C)CC1 ZINC000464230235 331358255 /nfs/dbraw/zinc/35/82/55/331358255.db2.gz FQTNODZFTNCKCG-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000473823898 331558142 /nfs/dbraw/zinc/55/81/42/331558142.db2.gz YCHXSJYFVOYFJI-RBSFLKMASA-N 0 3 293.455 2.713 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)CC1CCN(C)CC1 ZINC000487219921 331959878 /nfs/dbraw/zinc/95/98/78/331959878.db2.gz YYDJUTDHSBVPFP-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCCCCN1CCN(c2cc(OC)ccn2)CC1 ZINC000487853513 331982357 /nfs/dbraw/zinc/98/23/57/331982357.db2.gz BSRQENDCXFHYOK-UHFFFAOYSA-N 0 3 289.423 2.959 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000488553526 332017138 /nfs/dbraw/zinc/01/71/38/332017138.db2.gz WZRKKDJSHDXGPX-QGZVFWFLSA-N 0 3 297.402 2.707 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000488990488 332036915 /nfs/dbraw/zinc/03/69/15/332036915.db2.gz XRROHLJNYDXOPI-OAHLLOKOSA-N 0 3 289.423 2.524 20 30 CFEDHN C=CCCCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490205595 332084356 /nfs/dbraw/zinc/08/43/56/332084356.db2.gz XQVYAPCLQRFHAS-ARFHVFGLSA-N 0 3 293.455 2.714 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490205985 332084763 /nfs/dbraw/zinc/08/47/63/332084763.db2.gz VOMNPAQUCKCZJX-BPLDGKMQSA-N 0 3 256.349 2.989 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cc3[nH]ccc3cc2C)CC1 ZINC000491037724 332141062 /nfs/dbraw/zinc/14/10/62/332141062.db2.gz FQDOIOUKIWCLDT-UHFFFAOYSA-N 0 3 295.386 2.760 20 30 CFEDHN C#CCNC(=O)C1CCN(Cc2ccc(CCC)cc2)CC1 ZINC000491068673 332145179 /nfs/dbraw/zinc/14/51/79/332145179.db2.gz PRYKLBQHVLNNHS-UHFFFAOYSA-N 0 3 298.430 2.601 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(O)c2nc(C)ccc12 ZINC000491191469 332162632 /nfs/dbraw/zinc/16/26/32/332162632.db2.gz DPFWWASHZKFVHO-GFCCVEGCSA-N 0 3 254.333 2.702 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000491241110 332172275 /nfs/dbraw/zinc/17/22/75/332172275.db2.gz GXDQGAORNJJSOE-ZOBUZTSGSA-N 0 3 290.451 2.520 20 30 CFEDHN C#C[C@@H](NCc1cc(OC)c(OC)cc1C)C(C)C ZINC000491438400 332211205 /nfs/dbraw/zinc/21/12/05/332211205.db2.gz CEALLDPPANZKLX-CQSZACIVSA-N 0 3 261.365 2.760 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000491494035 332222121 /nfs/dbraw/zinc/22/21/21/332222121.db2.gz AOSBFQMIRBPQJF-LBPRGKRZSA-N 0 3 276.405 2.914 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(-n2ccnc2)cc1C ZINC000491523088 332228854 /nfs/dbraw/zinc/22/88/54/332228854.db2.gz BKKOKBFJYOIMQQ-AWEZNQCLSA-N 0 3 253.349 2.634 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2ccsc2)CC1 ZINC000491543525 332233745 /nfs/dbraw/zinc/23/37/45/332233745.db2.gz CDQPBECDAGWSQA-ARJAWSKDSA-N 0 3 276.405 2.528 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1ccc(Cl)cc1 ZINC000491639556 332259538 /nfs/dbraw/zinc/25/95/38/332259538.db2.gz ZKRJTXZKKICKDZ-UHFFFAOYSA-N 0 3 295.839 2.582 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)CC2CCCCC2)CC1 ZINC000491644813 332263131 /nfs/dbraw/zinc/26/31/31/332263131.db2.gz LVFLASUGDLSUGP-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC000491666387 332274833 /nfs/dbraw/zinc/27/48/33/332274833.db2.gz WAMNGGLEXXNOLI-KBPBESRZSA-N 0 3 285.309 2.986 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000491675651 332281300 /nfs/dbraw/zinc/28/13/00/332281300.db2.gz ZTFTZNIWNNZPBP-HZPDHXFCSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(F)cn1)C1CCCCC1 ZINC000491700631 332295233 /nfs/dbraw/zinc/29/52/33/332295233.db2.gz DQIZUTPWQIJADG-INIZCTEOSA-N 0 3 276.355 2.522 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cccc(OCCCC#N)c1 ZINC000491722994 332307922 /nfs/dbraw/zinc/30/79/22/332307922.db2.gz AHMULXHYJPVEFX-AWEZNQCLSA-N 0 3 256.349 2.823 20 30 CFEDHN C#C[C@H](CC)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000491735565 332316189 /nfs/dbraw/zinc/31/61/89/332316189.db2.gz FVPIWCYKDIYQSJ-CYBMUJFWSA-N 0 3 277.364 2.604 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000491757027 332330110 /nfs/dbraw/zinc/33/01/10/332330110.db2.gz BOGKZJHYCSOAEJ-OLZOCXBDSA-N 0 3 298.361 2.767 20 30 CFEDHN C#CC(C)(C)N(C)Cc1cc2ccccc2[nH]c1=O ZINC000491773462 332339658 /nfs/dbraw/zinc/33/96/58/332339658.db2.gz RXZUHPNKPYCLLR-UHFFFAOYSA-N 0 3 254.333 2.784 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)NCCN(C)C1CC1 ZINC000491783119 332346755 /nfs/dbraw/zinc/34/67/55/332346755.db2.gz GECLHALFMQIHPA-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ncccc2C)CC1 ZINC000493694480 332450173 /nfs/dbraw/zinc/45/01/73/332450173.db2.gz WCQIOFKJTHWXDY-SREVYHEPSA-N 0 3 299.418 2.560 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336656349 335109942 /nfs/dbraw/zinc/10/99/42/335109942.db2.gz MJIGXDIUQZSRBI-WMZOPIPTSA-N 0 3 299.418 2.659 20 30 CFEDHN COC(=O)Nc1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000495690577 332527449 /nfs/dbraw/zinc/52/74/49/332527449.db2.gz MVVDLOVZJFEDKV-DGCLKSJQSA-N 0 3 273.336 2.647 20 30 CFEDHN CC(C)(C)OC(=O)NC1CCC(NCC2(C#N)CC2)CC1 ZINC000496088726 332538296 /nfs/dbraw/zinc/53/82/96/332538296.db2.gz APNGJGMKAMROAS-UHFFFAOYSA-N 0 3 293.411 2.716 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000496361939 332547415 /nfs/dbraw/zinc/54/74/15/332547415.db2.gz NKZQEVQCHPGLDR-HZSPNIEDSA-N 0 3 295.427 2.771 20 30 CFEDHN C[C@H](C#N)CNC[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496702930 332557307 /nfs/dbraw/zinc/55/73/07/332557307.db2.gz QOQGNDHZGJISRX-MCIONIFRSA-N 0 3 295.427 2.771 20 30 CFEDHN CC#CCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502514729 332664197 /nfs/dbraw/zinc/66/41/97/332664197.db2.gz VPOSYULJEWJXHE-OAHLLOKOSA-N 0 3 263.768 2.655 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000173198021 332966383 /nfs/dbraw/zinc/96/63/83/332966383.db2.gz HCNRNDADKVVPON-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000176598323 333044116 /nfs/dbraw/zinc/04/41/16/333044116.db2.gz JRXYBFITAHXDJZ-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN C[C@@H](CC#N)N(C)CCCCCN(C)[C@@H](C)CC#N ZINC000177364872 333058058 /nfs/dbraw/zinc/05/80/58/333058058.db2.gz WRXYCIWAHHCFBD-GJZGRUSLSA-N 0 3 264.417 2.625 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1CC12CCSCC2 ZINC000516963950 333088217 /nfs/dbraw/zinc/08/82/17/333088217.db2.gz FZWFXIPKYKTVBB-QWHCGFSZSA-N 0 3 263.410 2.553 20 30 CFEDHN C=CCN(CCOC)C[C@@H]1CCC2(CCCC2)O1 ZINC000517592223 333103222 /nfs/dbraw/zinc/10/32/22/333103222.db2.gz SBPUHZFHTKONLB-AWEZNQCLSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC[C@@H](O)C(F)(F)F ZINC000521030966 333110358 /nfs/dbraw/zinc/11/03/58/333110358.db2.gz KLNUPLQJGYLJLX-QWHCGFSZSA-N 0 3 273.298 2.687 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCCCCC1 ZINC000190375813 333206300 /nfs/dbraw/zinc/20/63/00/333206300.db2.gz BFSJQSCVGMRDRM-HNNXBMFYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000190490518 333207418 /nfs/dbraw/zinc/20/74/18/333207418.db2.gz ZYQGGIAJFXHMBD-DZGCQCFKSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cn[nH]c1 ZINC000224761186 333225355 /nfs/dbraw/zinc/22/53/55/333225355.db2.gz SZQICFHQSPHVHL-NWDGAFQWSA-N 0 3 270.336 2.724 20 30 CFEDHN CN1CC[C@H](C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000522138145 333248592 /nfs/dbraw/zinc/24/85/92/333248592.db2.gz GBRPRSWRGJHQQI-GOEBONIOSA-N 0 3 299.418 2.617 20 30 CFEDHN C=CCCCCCN1CCN(Cc2cccnc2)CC1 ZINC000193454340 333250462 /nfs/dbraw/zinc/25/04/62/333250462.db2.gz AQHBZOQAYDYEMX-UHFFFAOYSA-N 0 3 273.424 2.946 20 30 CFEDHN CCC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000193631668 333254575 /nfs/dbraw/zinc/25/45/75/333254575.db2.gz RDWLPCOKXQZPPJ-AEFFLSMTSA-N 0 3 299.418 2.926 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230313667 333316413 /nfs/dbraw/zinc/31/64/13/333316413.db2.gz MBDCXVYUVIYWED-IAGOWNOFSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000524252818 333358233 /nfs/dbraw/zinc/35/82/33/333358233.db2.gz CCFSBHIKNTWYGH-HNNXBMFYSA-N 0 3 286.419 2.865 20 30 CFEDHN C=C(C)COCCNCc1ccccc1OC(F)F ZINC000125804949 333574196 /nfs/dbraw/zinc/57/41/96/333574196.db2.gz QXMOUIVCNPBTRZ-UHFFFAOYSA-N 0 3 271.307 2.970 20 30 CFEDHN C=C(C)COCCNCc1ccc(-n2cccn2)cc1 ZINC000125808562 333574216 /nfs/dbraw/zinc/57/42/16/333574216.db2.gz FWNBZJCHEDQMDT-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN COC[C@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC000542524356 333830775 /nfs/dbraw/zinc/83/07/75/333830775.db2.gz XLMLZRRZWIZUGQ-HNNXBMFYSA-N 0 3 265.784 2.952 20 30 CFEDHN C=CCCN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000132368786 333978564 /nfs/dbraw/zinc/97/85/64/333978564.db2.gz WVPOLOMGMHATIY-UHFFFAOYSA-N 0 3 278.371 2.528 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000546225498 334020390 /nfs/dbraw/zinc/02/03/90/334020390.db2.gz OQEUDMLPPWBWBZ-KBXCAEBGSA-N 0 3 299.418 2.763 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000564309177 334049033 /nfs/dbraw/zinc/04/90/33/334049033.db2.gz BQTXUCDKCMWCPL-GASCZTMLSA-N 0 3 261.365 2.861 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC(C)(C)C)C(C)C ZINC000134014454 334077264 /nfs/dbraw/zinc/07/72/64/334077264.db2.gz ZUQDLEWYIKENAS-AWEZNQCLSA-N 0 3 281.444 2.783 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)CC1CCCCC1 ZINC000076875021 334090387 /nfs/dbraw/zinc/09/03/87/334090387.db2.gz GHQIRPHSRRFUKI-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134621072 334097710 /nfs/dbraw/zinc/09/77/10/334097710.db2.gz LVVWQUVSCCGVMZ-STQMWFEESA-N 0 3 268.401 2.940 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000547651582 334106000 /nfs/dbraw/zinc/10/60/00/334106000.db2.gz FFJRUEOOXZPJOL-NVXWUHKLSA-N 0 3 286.419 2.804 20 30 CFEDHN CC(C)N(CC#Cc1ccccc1Cl)C[C@H](C)O ZINC000135060880 334114114 /nfs/dbraw/zinc/11/41/14/334114114.db2.gz HTYDCVKNXDXFJW-ZDUSSCGKSA-N 0 3 265.784 2.783 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC2CCSCC2)CC1 ZINC000136833268 334164501 /nfs/dbraw/zinc/16/45/01/334164501.db2.gz XQFGWLNCUXAMFX-UHFFFAOYSA-N 0 3 296.480 2.676 20 30 CFEDHN CC(C)CCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080908420 334175124 /nfs/dbraw/zinc/17/51/24/334175124.db2.gz IKKXCXVLVNGMIS-KRWDZBQOSA-N 0 3 271.408 2.915 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)CCO1 ZINC000576271990 335180433 /nfs/dbraw/zinc/18/04/33/335180433.db2.gz NOWAGBDJFDLLQA-MJBXVCDLSA-N 0 3 263.385 2.613 20 30 CFEDHN CC[C@@](C)(C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000564670571 334516145 /nfs/dbraw/zinc/51/61/45/334516145.db2.gz LURRCHNOBXUZIB-KRWDZBQOSA-N 0 3 285.391 2.704 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc(C(C)C)n2ccccc12 ZINC000565838373 334602077 /nfs/dbraw/zinc/60/20/77/334602077.db2.gz NSXALIAQIOQSEG-AWEZNQCLSA-N 0 3 287.407 2.732 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(C3CC3)c2)CC1 ZINC000576529489 335215739 /nfs/dbraw/zinc/21/57/39/335215739.db2.gz PXWDRHHCPDYZEU-UHFFFAOYSA-N 0 3 284.403 2.944 20 30 CFEDHN Cc1nc(CN)ccc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000577062658 335293902 /nfs/dbraw/zinc/29/39/02/335293902.db2.gz VOHMGRPUFVBVKY-ZDUSSCGKSA-N 0 3 294.402 2.766 20 30 CFEDHN N#CC(C(=O)c1ccccc1OC1CC1)c1ccncn1 ZINC000577271900 335332871 /nfs/dbraw/zinc/33/28/71/335332871.db2.gz GOVHFDXJGZZNLW-CYBMUJFWSA-N 0 3 279.299 2.508 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCCc2ccc(SC)cc21 ZINC000581251310 336032006 /nfs/dbraw/zinc/03/20/06/336032006.db2.gz MFOSRFVOJLZTDC-HNNXBMFYSA-N 0 3 290.432 2.678 20 30 CFEDHN C=C1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000382528140 336092466 /nfs/dbraw/zinc/09/24/66/336092466.db2.gz DHHPEGSEUSLNEY-DZGCQCFKSA-N 0 3 258.365 2.501 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000581997634 336187388 /nfs/dbraw/zinc/18/73/88/336187388.db2.gz JTYLQGYQQSZQIZ-NSHDSACASA-N 0 3 286.162 2.953 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001085582057 782109506 /nfs/dbraw/zinc/10/95/06/782109506.db2.gz AQEHVOUCMYCVEB-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ccccc21 ZINC001085704922 782138915 /nfs/dbraw/zinc/13/89/15/782138915.db2.gz CSTMYLJFVWJAQD-AWEZNQCLSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740049 782150321 /nfs/dbraw/zinc/15/03/21/782150321.db2.gz GIKVHSUCRKYFQS-LUKYLMHMSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085776388 782157675 /nfs/dbraw/zinc/15/76/75/782157675.db2.gz QFCABHIDBHVGQX-AWEZNQCLSA-N 0 3 276.380 2.701 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775497 782157988 /nfs/dbraw/zinc/15/79/88/782157988.db2.gz WQWWFLZVZQVNBG-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@@H](CNc1ncc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000413050271 534097183 /nfs/dbraw/zinc/09/71/83/534097183.db2.gz DCHJNEXJILHGHN-RYUDHWBXSA-N 0 3 276.359 2.625 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(C(=O)OC)o1 ZINC000268897301 534358009 /nfs/dbraw/zinc/35/80/09/534358009.db2.gz PLCIGRZGDOCCFY-QWRGUYRKSA-N 0 3 251.326 2.757 20 30 CFEDHN CC(C)(C)[C@@H](CCO)NCc1cccc(C#N)c1F ZINC000230893470 518918246 /nfs/dbraw/zinc/91/82/46/518918246.db2.gz ILPBIQFIEHUHLU-CYBMUJFWSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)N1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162869790 519682520 /nfs/dbraw/zinc/68/25/20/519682520.db2.gz JERZQGKTMYHXDP-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000360311479 519692117 /nfs/dbraw/zinc/69/21/17/519692117.db2.gz PRXIYIRPLBABMK-KEYYUXOJSA-N 0 3 299.418 2.507 20 30 CFEDHN CC(C)[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000335825693 519803019 /nfs/dbraw/zinc/80/30/19/519803019.db2.gz KXPCCJCXIMFTLO-CQSZACIVSA-N 0 3 268.364 2.684 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000233787620 520367441 /nfs/dbraw/zinc/36/74/41/520367441.db2.gz OWTOSUUNHRRUII-HZPDHXFCSA-N 0 3 288.391 2.860 20 30 CFEDHN CC1(C)SC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000334982891 520626455 /nfs/dbraw/zinc/62/64/55/520626455.db2.gz UZAUMXLNEROACJ-GFCCVEGCSA-N 0 3 250.342 2.681 20 30 CFEDHN CC1CCC(C)(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360664737 520910562 /nfs/dbraw/zinc/91/05/62/520910562.db2.gz RNZYDERLUZMJDO-MNQCNDSGSA-N 0 3 299.418 2.891 20 30 CFEDHN CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(N(C)C)cc1 ZINC000191156450 521287875 /nfs/dbraw/zinc/28/78/75/521287875.db2.gz FBXRENGVOWTESN-UHFFFAOYSA-N 0 3 296.418 2.985 20 30 CFEDHN CCN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCO1 ZINC000191974167 521298442 /nfs/dbraw/zinc/29/84/42/521298442.db2.gz GNWVVUQAGXMLSV-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN CCC(C)(C)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000069433349 521299979 /nfs/dbraw/zinc/29/99/79/521299979.db2.gz HKDCULIAMGXOMN-UHFFFAOYSA-N 0 3 259.353 2.617 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1cccc(C#N)c1F ZINC000340840794 521389636 /nfs/dbraw/zinc/38/96/36/521389636.db2.gz RUTOIGKPYOWBHJ-UHFFFAOYSA-N 0 3 292.354 2.909 20 30 CFEDHN CCC(O)(CC)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305829947 521657607 /nfs/dbraw/zinc/65/76/07/521657607.db2.gz SWEUJXHHHWHLLR-NSHDSACASA-N 0 3 264.344 2.899 20 30 CFEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cc(C#N)n(C)c1 ZINC000191447127 521695004 /nfs/dbraw/zinc/69/50/04/521695004.db2.gz JTCYXXXAQNJISR-HOTGVXAUSA-N 0 3 289.423 2.922 20 30 CFEDHN CCN1CC[C@@H](N(C)C(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000336355213 521712902 /nfs/dbraw/zinc/71/29/02/521712902.db2.gz RSBAJAMNWYQXBN-NWDGAFQWSA-N 0 3 291.420 2.565 20 30 CFEDHN CN(C)c1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191149850 522169897 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/nfs/dbraw/zinc/59/99/74/526599974.db2.gz PPEVUYTUHKLAES-UHFFFAOYSA-N 0 3 291.420 2.514 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(SC)o2)CC1 ZINC000112293756 526600872 /nfs/dbraw/zinc/60/08/72/526600872.db2.gz FMCHXNWCDHKZHL-UHFFFAOYSA-N 0 3 294.420 2.772 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000350480244 526633660 /nfs/dbraw/zinc/63/36/60/526633660.db2.gz PZNITGWVBNCXFP-ZOBUZTSGSA-N 0 3 286.419 2.630 20 30 CFEDHN C=C(C)COc1cc(CNC[C@@H](O)C(C)C)ccc1OC ZINC000116349518 526661470 /nfs/dbraw/zinc/66/14/70/526661470.db2.gz QOTULVKDXUHUGG-OAHLLOKOSA-N 0 3 293.407 2.757 20 30 CFEDHN N#Cc1ccc(OCCN2CCC(C(F)F)CC2)cc1 ZINC000307871169 526672514 /nfs/dbraw/zinc/67/25/14/526672514.db2.gz HYNXQELFRYRHDP-UHFFFAOYSA-N 0 3 280.318 2.914 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246417831 526705406 /nfs/dbraw/zinc/70/54/06/526705406.db2.gz AIDBAPVEGODCFH-HOTGVXAUSA-N 0 3 256.349 2.559 20 30 CFEDHN Cc1nsc(N[C@@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000360961820 526715959 /nfs/dbraw/zinc/71/59/59/526715959.db2.gz VGBCGVXEHSNFGO-MNOVXSKESA-N 0 3 278.425 2.856 20 30 CFEDHN C#CCCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1 ZINC000113313064 526743279 /nfs/dbraw/zinc/74/32/79/526743279.db2.gz QHBUIAVKEVZSRZ-LJQANCHMSA-N 0 3 295.382 2.912 20 30 CFEDHN C=CCOCCCN(C)CCOc1ccccc1F ZINC000347972370 526746337 /nfs/dbraw/zinc/74/63/37/526746337.db2.gz PTBQAJSFFPBWHV-UHFFFAOYSA-N 0 3 267.344 2.729 20 30 CFEDHN C=CCOc1ccccc1CNCCc1cccc(OC)n1 ZINC000344959656 526948553 /nfs/dbraw/zinc/94/85/53/526948553.db2.gz KFQVGEUBZIQAHS-UHFFFAOYSA-N 0 3 298.386 2.987 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000352507940 527013340 /nfs/dbraw/zinc/01/33/40/527013340.db2.gz FGBSAIQHLGZBKI-MJBXVCDLSA-N 0 3 266.429 2.966 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CCC1 ZINC000344649732 527054555 /nfs/dbraw/zinc/05/45/55/527054555.db2.gz VQNLQGUMPINXKX-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CC[C@@H](CC)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000367185886 527054975 /nfs/dbraw/zinc/05/49/75/527054975.db2.gz KNAMHLUPDNDACQ-RISCZKNCSA-N 0 3 297.395 2.989 20 30 CFEDHN C=CCCC1(C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000354606019 527088297 /nfs/dbraw/zinc/08/82/97/527088297.db2.gz ZEKQMIDEGPFLHY-AWEZNQCLSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCCC1(C(=O)NC[C@H]2CCCCN2CC)CC1 ZINC000355995686 527090538 /nfs/dbraw/zinc/09/05/38/527090538.db2.gz ZLOUAOYUYUWEHM-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCCN(C)Cc1cc(C(=O)OCC)co1 ZINC000353660597 527192737 /nfs/dbraw/zinc/19/27/37/527192737.db2.gz MVXWLLRLESBOHO-UHFFFAOYSA-N 0 3 251.326 2.854 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000353570929 527441800 /nfs/dbraw/zinc/44/18/00/527441800.db2.gz OEJXOFZIVVRXCL-GUYCJALGSA-N 0 3 268.360 2.946 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000353582939 527593349 /nfs/dbraw/zinc/59/33/49/527593349.db2.gz VJAGHGACHNGRQT-DZGCQCFKSA-N 0 3 263.381 2.919 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[C@H]1C)C(C)C ZINC000347774717 527649507 /nfs/dbraw/zinc/64/95/07/527649507.db2.gz JVDFLTVMUPAQAB-BZUAXINKSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1c[nH]cc1C)C(C)C ZINC000353827903 527650433 /nfs/dbraw/zinc/65/04/33/527650433.db2.gz PCZPFVPUTALECH-MRXNPFEDSA-N 0 3 289.423 2.752 20 30 CFEDHN CC(C)COC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425535880 528102316 /nfs/dbraw/zinc/10/23/16/528102316.db2.gz HWZBQOJGQLQHAM-PBHICJAKSA-N 0 3 290.407 2.585 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC000329117246 528234094 /nfs/dbraw/zinc/23/40/94/528234094.db2.gz UIZBUZCRWLRBKW-LBPRGKRZSA-N 0 3 277.368 2.731 20 30 CFEDHN CCOc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1OC ZINC000349806354 528284772 /nfs/dbraw/zinc/28/47/72/528284772.db2.gz YKHZYHBLGRFZHI-OCCSQVGLSA-N 0 3 274.364 2.876 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085790415 782166477 /nfs/dbraw/zinc/16/64/77/782166477.db2.gz JTAUJXCOVZTCOF-LBPRGKRZSA-N 0 3 294.345 2.687 20 30 CFEDHN CCN(CCC1CC1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000355037082 528429254 /nfs/dbraw/zinc/42/92/54/528429254.db2.gz KNPYMFPKCPKNPG-CZUORRHYSA-N 0 3 279.428 2.551 20 30 CFEDHN CCN(CCCCCn1cc(C)cn1)C[C@@H](C)C#N ZINC000354465776 528432622 /nfs/dbraw/zinc/43/26/22/528432622.db2.gz XBMOTHMCIIBOCP-AWEZNQCLSA-N 0 3 262.401 2.843 20 30 CFEDHN CCCCOc1ccc(CNC(=O)C(C)C#N)cc1OC ZINC000347069059 528675060 /nfs/dbraw/zinc/67/50/60/528675060.db2.gz MVBWJRKVXUUZGT-GFCCVEGCSA-N 0 3 290.363 2.650 20 30 CFEDHN CC(C)N(C)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352207575 528815318 /nfs/dbraw/zinc/81/53/18/528815318.db2.gz ZQPBUVVYICYENC-MRXNPFEDSA-N 0 3 287.407 2.878 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)C1 ZINC000329151093 529020170 /nfs/dbraw/zinc/02/01/70/529020170.db2.gz ZXJXOHFDFUVCGM-AVGNSLFASA-N 0 3 281.400 2.571 20 30 CFEDHN CCC1(CC)CCCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347190037 529044099 /nfs/dbraw/zinc/04/40/99/529044099.db2.gz GQNSKEUNQYNHTR-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@H](O)C(C)C ZINC000414524600 529180991 /nfs/dbraw/zinc/18/09/91/529180991.db2.gz IJDNMURJDSCYJB-CHWSQXEVSA-N 0 3 252.383 2.505 20 30 CFEDHN CCN1CCC(N(C)C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491531698 535455034 /nfs/dbraw/zinc/45/50/34/535455034.db2.gz ICYVAHTWXLGHNC-FPLPWBNLSA-N 0 3 297.402 2.514 20 30 CFEDHN CCN(C(=O)/C=C\CN(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000491685035 535656368 /nfs/dbraw/zinc/65/63/68/535656368.db2.gz JGDRFRACWIMYCR-AFNCTOJWSA-N 0 3 285.391 2.586 20 30 CFEDHN CC[C@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000447600803 535931242 /nfs/dbraw/zinc/93/12/42/535931242.db2.gz NSFDOHZCNDUYMX-OLZOCXBDSA-N 0 3 268.307 2.615 20 30 CFEDHN C#C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000491363345 545518458 /nfs/dbraw/zinc/51/84/58/545518458.db2.gz YYOBVMBBSWTMSU-HOTGVXAUSA-N 0 3 282.387 2.923 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844722 782181643 /nfs/dbraw/zinc/18/16/43/782181643.db2.gz WAGPPRLWTMEQMI-INIZCTEOSA-N 0 3 297.402 2.890 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001085847841 782184961 /nfs/dbraw/zinc/18/49/61/782184961.db2.gz MFAMEKJACRGEOG-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccs1 ZINC000753935306 574055994 /nfs/dbraw/zinc/05/59/94/574055994.db2.gz NLXLOMBTZVUFRK-RYUDHWBXSA-N 0 3 276.409 2.722 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C)s1 ZINC000753937145 574056391 /nfs/dbraw/zinc/05/63/91/574056391.db2.gz CKVQGHKCQQILLR-TXEJJXNPSA-N 0 3 276.409 2.641 20 30 CFEDHN C[C@H]1CC(N=Nc2ncnc3sccc32)CN1C1CC1 ZINC000753956870 574058974 /nfs/dbraw/zinc/05/89/74/574058974.db2.gz XQCPKLDRSMLGSJ-VIFPVBQESA-N 0 3 287.392 2.716 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000753967676 574060277 /nfs/dbraw/zinc/06/02/77/574060277.db2.gz OCXRKPZRVBDCLE-JTQLQIEISA-N 0 3 274.324 2.619 20 30 CFEDHN C=CC[C@@H](CO)Nc1ccnc2cc(OC)ccc21 ZINC000754110784 574073874 /nfs/dbraw/zinc/07/38/74/574073874.db2.gz ZTPMENYNJVBVHB-NSHDSACASA-N 0 3 258.321 2.592 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCCOC(C)C ZINC000730379837 574079749 /nfs/dbraw/zinc/07/97/49/574079749.db2.gz YUPBSGBHHKVSKW-UHFFFAOYSA-N 0 3 275.392 2.946 20 30 CFEDHN COC[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000756233236 574084899 /nfs/dbraw/zinc/08/48/99/574084899.db2.gz AGQGRJFEERZVGY-QWRGUYRKSA-N 0 3 272.304 2.677 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000731213545 574113373 /nfs/dbraw/zinc/11/33/73/574113373.db2.gz YXZYUFOXPCCQGO-INIZCTEOSA-N 0 3 296.374 2.623 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1csc2ccccc21 ZINC000754733317 574117378 /nfs/dbraw/zinc/11/73/78/574117378.db2.gz OMLQNSRKMCCOGZ-LLVKDONJSA-N 0 3 274.389 2.854 20 30 CFEDHN C#Cc1cccc(NC(=S)N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000731952311 574136966 /nfs/dbraw/zinc/13/69/66/574136966.db2.gz SEXZUNWWCHGQQF-MRXNPFEDSA-N 0 3 299.443 2.533 20 30 CFEDHN C#CCNC(=O)CN(CC(C)C)[C@H](CC)c1ccccc1 ZINC000732214283 574146945 /nfs/dbraw/zinc/14/69/45/574146945.db2.gz DHKQUEAVKAYOJB-QGZVFWFLSA-N 0 3 286.419 2.845 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCCc1ccc(C)cc1 ZINC000746417457 574148383 /nfs/dbraw/zinc/14/83/83/574148383.db2.gz YYJIFOCODJKQQW-INIZCTEOSA-N 0 3 298.386 2.719 20 30 CFEDHN CCCCCCCCN1CCN(c2nccn2C)CC1 ZINC000746452689 574149567 /nfs/dbraw/zinc/14/95/67/574149567.db2.gz ZCLJXXIXIMLZNB-UHFFFAOYSA-N 0 3 278.444 2.903 20 30 CFEDHN C#CCCCN1CCO[C@H](CCc2ccccc2)C1 ZINC000755264078 574150709 /nfs/dbraw/zinc/15/07/09/574150709.db2.gz RXYRPZYJEPMCOX-QGZVFWFLSA-N 0 3 257.377 2.733 20 30 CFEDHN Cc1sc2[nH]cnc(=NN=Cc3ccc(O)cn3)c2c1C ZINC000755520855 574167593 /nfs/dbraw/zinc/16/75/93/574167593.db2.gz IOGIZHHBOFVYNM-UHFFFAOYSA-N 0 3 299.359 2.855 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccon2)c([O-])c1 ZINC000747864509 574216108 /nfs/dbraw/zinc/21/61/08/574216108.db2.gz NWLJLUXJMAHODT-YBEGLDIGSA-N 0 3 273.336 2.846 20 30 CFEDHN C#CCCOc1ccc(CNC[C@H](O)CC(C)C)cc1 ZINC000733326135 574221796 /nfs/dbraw/zinc/22/17/96/574221796.db2.gz KQGCLSHYDWNRGI-MRXNPFEDSA-N 0 3 275.392 2.585 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccn(C)c2)cc1 ZINC000748098752 574229415 /nfs/dbraw/zinc/22/94/15/574229415.db2.gz MPZXOHXMRGJCHP-ZDUSSCGKSA-N 0 3 269.348 2.606 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730021546 574242379 /nfs/dbraw/zinc/24/23/79/574242379.db2.gz ILSDFWMHSTXSDX-NWDGAFQWSA-N 0 3 286.400 2.690 20 30 CFEDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)c([O-])c1C ZINC000756551424 574246717 /nfs/dbraw/zinc/24/67/17/574246717.db2.gz BGEQTMOJLNEEAC-CQSZACIVSA-N 0 3 287.407 2.648 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000740739182 574264837 /nfs/dbraw/zinc/26/48/37/574264837.db2.gz YIAHVKNPIDFLJI-SFHVURJKSA-N 0 3 298.430 2.784 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000740737747 574264907 /nfs/dbraw/zinc/26/49/07/574264907.db2.gz VIQFXNKOWRTOLQ-UHFFFAOYSA-N 0 3 284.403 2.521 20 30 CFEDHN FC(F)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000748789062 574266683 /nfs/dbraw/zinc/26/66/83/574266683.db2.gz LTMPXRFFNYTCIP-LBPRGKRZSA-N 0 3 259.344 2.626 20 30 CFEDHN CCCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000740874036 574271775 /nfs/dbraw/zinc/27/17/75/574271775.db2.gz UZWCCQXUAXHBKB-INIZCTEOSA-N 0 3 268.445 2.753 20 30 CFEDHN C#CCN(CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000756911687 574272500 /nfs/dbraw/zinc/27/25/00/574272500.db2.gz BNQDJZJPSMOKCC-UHFFFAOYSA-N 0 3 288.347 2.851 20 30 CFEDHN N#Cc1cccc(CN[C@@H](CCO)c2cccs2)c1 ZINC000740900537 574273696 /nfs/dbraw/zinc/27/36/96/574273696.db2.gz RFBREROFFXDOOR-AWEZNQCLSA-N 0 3 272.373 2.833 20 30 CFEDHN C#CCOc1ccccc1CNCc1ccc2[nH]cnc2c1 ZINC000734159703 574277456 /nfs/dbraw/zinc/27/74/56/574277456.db2.gz WOZOMOPCPIFISB-UHFFFAOYSA-N 0 3 291.354 2.865 20 30 CFEDHN C#CCOc1ccccc1CNCc1ccc2nc[nH]c2c1 ZINC000734159703 574277457 /nfs/dbraw/zinc/27/74/57/574277457.db2.gz WOZOMOPCPIFISB-UHFFFAOYSA-N 0 3 291.354 2.865 20 30 CFEDHN C[C@H]1CC(N=Nc2nncc3ccccc32)CCN1C ZINC000741452776 574290943 /nfs/dbraw/zinc/29/09/43/574290943.db2.gz FHMGCCJYFIVHBV-NSHDSACASA-N 0 3 269.352 2.512 20 30 CFEDHN C#CCN(CCC(=O)OC(C)C)[C@H]1CCc2ccccc21 ZINC000741754443 574300990 /nfs/dbraw/zinc/30/09/90/574300990.db2.gz QUIUHBSIAVLZQV-KRWDZBQOSA-N 0 3 285.387 2.951 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=S)N[C@@H](C)CC)C(C)C ZINC000749767224 574308527 /nfs/dbraw/zinc/30/85/27/574308527.db2.gz ZECNFAGVWMFQPG-GJZGRUSLSA-N 0 3 297.512 2.948 20 30 CFEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000725803755 574311823 /nfs/dbraw/zinc/31/18/23/574311823.db2.gz OWOALSQHJRRIKT-VXGBXAGGSA-N 0 3 299.399 2.814 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000735206179 574316502 /nfs/dbraw/zinc/31/65/02/574316502.db2.gz AKJNVPQPZXBQTJ-PRFOUVDFSA-N 0 3 256.305 2.690 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C3CCC3)nc21 ZINC000735791081 574335331 /nfs/dbraw/zinc/33/53/31/574335331.db2.gz UEBAJLBKFPRWDB-LLVKDONJSA-N 0 3 253.305 2.848 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)C3CCC3)[nH]c21 ZINC000735791081 574335333 /nfs/dbraw/zinc/33/53/33/574335333.db2.gz UEBAJLBKFPRWDB-LLVKDONJSA-N 0 3 253.305 2.848 20 30 CFEDHN C#CCOc1cccc(NC(=O)C(C)C(F)(F)F)c1 ZINC000742650312 574338038 /nfs/dbraw/zinc/33/80/38/574338038.db2.gz NJOLSJHWLOJZQP-VIFPVBQESA-N 0 3 271.238 2.836 20 30 CFEDHN C#CCOc1cc(F)ccc1NC(=O)C(C)C(F)(F)F ZINC000742707225 574340491 /nfs/dbraw/zinc/34/04/91/574340491.db2.gz LCQDQCDQWJXMOU-MRVPVSSYSA-N 0 3 289.228 2.975 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cccc(C(F)(F)F)n1 ZINC000755891990 574361389 /nfs/dbraw/zinc/36/13/89/574361389.db2.gz OYGGLUPCDFEJDR-VIFPVBQESA-N 0 3 298.312 2.982 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000743474242 574365957 /nfs/dbraw/zinc/36/59/57/574365957.db2.gz RRTLQRYXEVJWFH-JTQLQIEISA-N 0 3 299.201 2.784 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N1CCCC2(C1)CCCCCC2 ZINC000743859859 574374463 /nfs/dbraw/zinc/37/44/63/574374463.db2.gz KNBWGGAEUWUZMU-OAHLLOKOSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCNC(=O)CN1CCCC[C@@H]1CCCc1ccccc1 ZINC000752082279 574387712 /nfs/dbraw/zinc/38/77/12/574387712.db2.gz BKUNXWUEHUGFBR-GOSISDBHSA-N 0 3 298.430 2.613 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1cccc2cnccc21 ZINC000752165767 574388835 /nfs/dbraw/zinc/38/88/35/574388835.db2.gz UGJKIZIBLZISAC-LLVKDONJSA-N 0 3 254.337 2.584 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)nc1 ZINC000753530905 574403937 /nfs/dbraw/zinc/40/39/37/574403937.db2.gz ARKVEBULMOUNBO-CQSZACIVSA-N 0 3 293.326 2.660 20 30 CFEDHN CC(C)CN(CCC#N)CC1CCC2(CC1)OCCO2 ZINC000753721404 574408722 /nfs/dbraw/zinc/40/87/22/574408722.db2.gz AKYLYDZWWVTFRD-UHFFFAOYSA-N 0 3 280.412 2.791 20 30 CFEDHN C=CC[N@H+](CCC1CC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744081 599565984 /nfs/dbraw/zinc/56/59/84/599565984.db2.gz VPCKPERCZUEQMO-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN C=CC[N@@H+](CCC1CC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744081 599565986 /nfs/dbraw/zinc/56/59/86/599565986.db2.gz VPCKPERCZUEQMO-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN C=CC[N@H+](CCC1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819744081 599565989 /nfs/dbraw/zinc/56/59/89/599565989.db2.gz VPCKPERCZUEQMO-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN C=CC[N@@H+](CCC1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819744081 599565990 /nfs/dbraw/zinc/56/59/90/599565990.db2.gz VPCKPERCZUEQMO-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000935703412 649931117 /nfs/dbraw/zinc/93/11/17/649931117.db2.gz DXLDMJVQYGUYHS-IAGOWNOFSA-N 0 3 297.402 2.535 20 30 CFEDHN CC[C@@](C)(C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900464999 620679114 /nfs/dbraw/zinc/67/91/14/620679114.db2.gz XFZHZMDNRNJVFL-INIZCTEOSA-N 0 3 284.363 2.713 20 30 CFEDHN C[C@H](CC#N)N(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900567631 620689453 /nfs/dbraw/zinc/68/94/53/620689453.db2.gz KAMYSPSBTCZBLY-GFCCVEGCSA-N 0 3 284.363 2.665 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819729701 607056387 /nfs/dbraw/zinc/05/63/87/607056387.db2.gz KVLBCBYNKMIOPO-WDEREUQCSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819729701 607056388 /nfs/dbraw/zinc/05/63/88/607056388.db2.gz KVLBCBYNKMIOPO-WDEREUQCSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894607 608482851 /nfs/dbraw/zinc/48/28/51/608482851.db2.gz URMQMAHLZAJKQM-VXGBXAGGSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894607 608482852 /nfs/dbraw/zinc/48/28/52/608482852.db2.gz URMQMAHLZAJKQM-VXGBXAGGSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCN(C)[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC000980441282 613610128 /nfs/dbraw/zinc/61/01/28/613610128.db2.gz WXEGONWSAVTFRF-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969735542 612994057 /nfs/dbraw/zinc/99/40/57/612994057.db2.gz VJBZBHQJFOAEKE-HZPDHXFCSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000981226937 613003434 /nfs/dbraw/zinc/00/34/34/613003434.db2.gz OMZYMOWDSKHADP-QGZVFWFLSA-N 0 3 288.435 2.681 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983390555 613004427 /nfs/dbraw/zinc/00/44/27/613004427.db2.gz QKETVFWWKDEONI-FUHWJXTLSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968215023 613015373 /nfs/dbraw/zinc/01/53/73/613015373.db2.gz UWRCIAWYQSWSLU-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610970 613015671 /nfs/dbraw/zinc/01/56/71/613015671.db2.gz UBSZTFBOOIPIGW-CRAIPNDOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC000968339045 613015834 /nfs/dbraw/zinc/01/58/34/613015834.db2.gz AFCMQBIFSBSUKN-RHSMWYFYSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977628982 613037091 /nfs/dbraw/zinc/03/70/91/613037091.db2.gz YDIUVVGIHYTKFU-INIZCTEOSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000948607919 613161739 /nfs/dbraw/zinc/16/17/39/613161739.db2.gz HVWODNCUODKXEP-BZUAXINKSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000948403945 613178441 /nfs/dbraw/zinc/17/84/41/613178441.db2.gz BZZUTAIOVWIEMM-WMZOPIPTSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C[C@H]1C ZINC000948070244 613222902 /nfs/dbraw/zinc/22/29/02/613222902.db2.gz OFKMJDTWXYHLGG-JBCIKUTRSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)C[C@@H]1C ZINC000947731574 613230641 /nfs/dbraw/zinc/23/06/41/613230641.db2.gz NYIDQTJBZGHHSD-JKSUJKDBSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C[C@H]1C ZINC000948007539 613230886 /nfs/dbraw/zinc/23/08/86/613230886.db2.gz SYMMIIZGXDAQDF-IAGOWNOFSA-N 0 3 298.430 2.828 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C[C@H]1C ZINC000947998571 613234944 /nfs/dbraw/zinc/23/49/44/613234944.db2.gz MJIJECCLKASBMT-NVXWUHKLSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H](C)C1 ZINC000942133646 613257321 /nfs/dbraw/zinc/25/73/21/613257321.db2.gz FHTHIAZHQAIJEX-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C[C@H]1C ZINC000948082273 613257944 /nfs/dbraw/zinc/25/79/44/613257944.db2.gz AIPOQMUHRRLIEC-ZBFHGGJFSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)C[C@@H]1C ZINC000947666414 613268484 /nfs/dbraw/zinc/26/84/84/613268484.db2.gz FTYGORYKVSTPBZ-YJBOKZPZSA-N 0 3 298.430 2.855 20 30 CFEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC000972841937 613274074 /nfs/dbraw/zinc/27/40/74/613274074.db2.gz PPVDVCBKGLDQTE-CYBMUJFWSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCC(F)CC2)C1 ZINC000970372562 613298350 /nfs/dbraw/zinc/29/83/50/613298350.db2.gz RKIMRXFYXPKDAS-DNOWBOINSA-N 0 3 282.403 2.527 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000969457359 613298707 /nfs/dbraw/zinc/29/87/07/613298707.db2.gz XOKJWBGCQBANDS-GFCCVEGCSA-N 0 3 278.440 2.681 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199194 613299022 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/nfs/dbraw/zinc/21/06/08/618210608.db2.gz UPNCHHUJQBFCLF-VIFPVBQESA-N 0 3 256.143 2.951 20 30 CFEDHN C=CCCCCN1CCOc2ccccc2[C@H]1CO ZINC000933380693 618216053 /nfs/dbraw/zinc/21/60/53/618216053.db2.gz SUWPDRJLYDGGEY-OAHLLOKOSA-N 0 3 261.365 2.771 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023714474 618216081 /nfs/dbraw/zinc/21/60/81/618216081.db2.gz NHVKRORZVCJQNQ-BRWVUGGUSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001023759683 618223043 /nfs/dbraw/zinc/22/30/43/618223043.db2.gz IBYDWSDNSALMFI-OAHLLOKOSA-N 0 3 296.414 2.639 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cnn(C)n1 ZINC000926591654 618224523 /nfs/dbraw/zinc/22/45/23/618224523.db2.gz MZBMQYGFHSBILV-HIFRSBDPSA-N 0 3 270.380 2.653 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001023775787 618225034 /nfs/dbraw/zinc/22/50/34/618225034.db2.gz HITPBRCKVMPAPD-AWEZNQCLSA-N 0 3 296.370 2.508 20 30 CFEDHN CCC(=NNC1C[C@@H](C)O[C@H](C)C1)c1cccc(N)c1 ZINC000901304721 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618306385 /nfs/dbraw/zinc/30/63/85/618306385.db2.gz RKUQKLIHRIFMIR-UHFFFAOYSA-N 0 3 293.411 2.669 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024461208 618320591 /nfs/dbraw/zinc/32/05/91/618320591.db2.gz FUEQOIXJOSOXPL-QGZVFWFLSA-N 0 3 286.419 2.832 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024511787 618341714 /nfs/dbraw/zinc/34/17/14/618341714.db2.gz IKJPJMNIIHIQND-PQUAAJSLSA-N 0 3 288.435 2.561 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN(C)CC1=CCCOC1 ZINC000930997238 618360778 /nfs/dbraw/zinc/36/07/78/618360778.db2.gz JEQKYENZHPPTTD-UHFFFAOYSA-N 0 3 270.376 2.954 20 30 CFEDHN C#C[C@@H](NCCc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000775793138 618377697 /nfs/dbraw/zinc/37/76/97/618377697.db2.gz VLEGGJGWLOGRBI-HUUCEWRRSA-N 0 3 281.758 2.792 20 30 CFEDHN CCCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000177285661 618391973 /nfs/dbraw/zinc/39/19/73/618391973.db2.gz YUAICGWIFRYQKM-NSHDSACASA-N 0 3 253.308 2.956 20 30 CFEDHN COCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000178845466 618422195 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/nfs/dbraw/zinc/56/03/92/618560392.db2.gz VLCHOJOWSWWVLF-UHFFFAOYSA-N 0 3 273.307 2.532 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC1CSC1 ZINC000895421831 618581969 /nfs/dbraw/zinc/58/19/69/618581969.db2.gz JIXSBUCCILJWOS-UHFFFAOYSA-N 0 3 281.808 2.805 20 30 CFEDHN COCCCC1(CN2CC[C@@](C)(C#N)C2)CCC1 ZINC000895451279 618593692 /nfs/dbraw/zinc/59/36/92/618593692.db2.gz VEQYYMWKAKHXTP-AWEZNQCLSA-N 0 3 250.386 2.819 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)C ZINC001018123392 618685941 /nfs/dbraw/zinc/68/59/41/618685941.db2.gz MHRCTNFURZPVJD-XUWVNRHRSA-N 0 3 276.424 2.530 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(Cl)nc1 ZINC000181343583 618691576 /nfs/dbraw/zinc/69/15/76/618691576.db2.gz APODDEOIAGLLAJ-NSHDSACASA-N 0 3 254.761 2.978 20 30 CFEDHN CC(C)CC[C@](C)(O)CNCC#Cc1ccccc1 ZINC000892998400 618796552 /nfs/dbraw/zinc/79/65/52/618796552.db2.gz OOQLCCUICCOIKS-KRWDZBQOSA-N 0 3 259.393 2.815 20 30 CFEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000893060534 618816962 /nfs/dbraw/zinc/81/69/62/618816962.db2.gz DMRNMQACCNEQKO-XRNSZHNASA-N 0 3 298.264 2.702 20 30 CFEDHN Cc1ncc(CCNCC#Cc2ccccc2)s1 ZINC000893198593 618878879 /nfs/dbraw/zinc/87/88/79/618878879.db2.gz FMGKEDKLFUSTSG-UHFFFAOYSA-N 0 3 256.374 2.635 20 30 CFEDHN C#C[C@H](NCc1cnc(C)n1-c1ccccc1)C(C)C ZINC000312153795 618887563 /nfs/dbraw/zinc/88/75/63/618887563.db2.gz DBOKAINLGQTKGM-KRWDZBQOSA-N 0 3 267.376 2.928 20 30 CFEDHN C#CC[C@H](N[C@@H]1C[C@@H](OCC)[C@@H]1OC)c1ccccc1 ZINC000893239180 618899398 /nfs/dbraw/zinc/89/93/98/618899398.db2.gz QEKHUQPOEHYFMB-YLFCFFPRSA-N 0 3 273.376 2.533 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001006621928 618914917 /nfs/dbraw/zinc/91/49/17/618914917.db2.gz KDFNYWOIEJOJFX-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930692171 618922422 /nfs/dbraw/zinc/92/24/22/618922422.db2.gz DUWGUAMHHLPHNE-RDBSUJKOSA-N 0 3 295.427 2.962 20 30 CFEDHN C#CCCN1CCN([C@H](C)c2ccccc2C)CC1 ZINC000776593779 618932852 /nfs/dbraw/zinc/93/28/52/618932852.db2.gz ZPUNAPCAUZZGPB-MRXNPFEDSA-N 0 3 256.393 2.697 20 30 CFEDHN C[C@@]1(Br)C[C@@H]1CN1CCC(C)(C#N)CC1 ZINC000893471676 619011010 /nfs/dbraw/zinc/01/10/10/619011010.db2.gz TZLRLDFEQDRXQY-ZYHUDNBSSA-N 0 3 271.202 2.786 20 30 CFEDHN CC(=CN=NC1=NCCN1)Cc1ccccc1C(F)(F)F ZINC000841659786 619073335 /nfs/dbraw/zinc/07/33/35/619073335.db2.gz MCLLRZPYEQLYQF-XMYDLDOCSA-N 0 3 296.296 2.643 20 30 CFEDHN C#CCCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000182491622 625317233 /nfs/dbraw/zinc/31/72/33/625317233.db2.gz IYGRBMOAMSUBNB-UHFFFAOYSA-N 0 3 282.181 2.966 20 30 CFEDHN CCCCCCCCc1nnc(NC(=O)C2(N)CC2)s1 ZINC000236637309 619198375 /nfs/dbraw/zinc/19/83/75/619198375.db2.gz QINJPOKSQQVGDW-UHFFFAOYSA-N 0 3 296.440 2.871 20 30 CFEDHN C=C1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000893875631 619233518 /nfs/dbraw/zinc/23/35/18/619233518.db2.gz UWDXUMBGTDZUOH-DLBZAZTESA-N 0 3 299.418 2.793 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1csc(C#N)c1 ZINC000893911852 619242212 /nfs/dbraw/zinc/24/22/12/619242212.db2.gz DXROOYDSJQGPNN-UHIISALHSA-N 0 3 264.394 2.601 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1csc(C#N)c1 ZINC000893911849 619242438 /nfs/dbraw/zinc/24/24/38/619242438.db2.gz DXROOYDSJQGPNN-JTNHKYCSSA-N 0 3 264.394 2.601 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](CC(N)=O)c1ccccc1 ZINC000894633224 619433179 /nfs/dbraw/zinc/43/31/79/619433179.db2.gz ZEGWSXIVSLCRAT-TZMCWYRMSA-N 0 3 273.380 2.521 20 30 CFEDHN C=CC(C)(C)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000894767011 619462668 /nfs/dbraw/zinc/46/26/68/619462668.db2.gz ZBPVSTNTGAXJHG-STQMWFEESA-N 0 3 293.411 2.973 20 30 CFEDHN CO[C@]1(C(F)(F)F)CCN(CC(C)(C)CCC#N)C1 ZINC000895577464 619558861 /nfs/dbraw/zinc/55/88/61/619558861.db2.gz LEOQPCCIOYTPOC-GFCCVEGCSA-N 0 3 278.318 2.970 20 30 CFEDHN C#CCC1(O)CCN(C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000895669682 619582427 /nfs/dbraw/zinc/58/24/27/619582427.db2.gz IMIAWJZIVCWSOE-CYBMUJFWSA-N 0 3 293.357 2.919 20 30 CFEDHN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000895785157 619606270 /nfs/dbraw/zinc/60/62/70/619606270.db2.gz REQSFVMPNWIZMN-OJDJGZDQSA-N 0 3 275.783 2.988 20 30 CFEDHN C=CCC1(O)CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000895833896 619619733 /nfs/dbraw/zinc/61/97/33/619619733.db2.gz FDVUTMLRXSYUIT-UHFFFAOYSA-N 0 3 299.418 2.527 20 30 CFEDHN CCCCCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000895939294 619640129 /nfs/dbraw/zinc/64/01/29/619640129.db2.gz LGNNTVRTYDFPGO-HUUCEWRRSA-N 0 3 281.444 2.835 20 30 CFEDHN C#CCSCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000895966721 619645422 /nfs/dbraw/zinc/64/54/22/619645422.db2.gz UMPZETUYXHIJPB-UHFFFAOYSA-N 0 3 287.388 2.665 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(Cl)cn1 ZINC000883391526 619721059 /nfs/dbraw/zinc/72/10/59/619721059.db2.gz MUOTWQXVPVTQTL-ZYHUDNBSSA-N 0 3 254.761 2.713 20 30 CFEDHN OC[C@@H](CCc1ccccc1)NCC#Cc1ccccc1 ZINC000896527006 619756340 /nfs/dbraw/zinc/75/63/40/619756340.db2.gz HTMZCSYHZYZJLT-LJQANCHMSA-N 0 3 279.383 2.621 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000896863258 619848342 /nfs/dbraw/zinc/84/83/42/619848342.db2.gz UHAXOSZTOJCIHK-WCBMZHEXSA-N 0 3 289.688 2.895 20 30 CFEDHN N#Cc1cccc(CNC[C@@]2(c3ccccc3)CCCO2)n1 ZINC000897233274 619955804 /nfs/dbraw/zinc/95/58/04/619955804.db2.gz KCDNCFYNVQCBOL-GOSISDBHSA-N 0 3 293.370 2.749 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](C3CCOCC3)C2)n1 ZINC000897270090 619963318 /nfs/dbraw/zinc/96/33/18/619963318.db2.gz XOIURJASQROKMQ-OAHLLOKOSA-N 0 3 285.391 2.592 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000862440663 620114153 /nfs/dbraw/zinc/11/41/53/620114153.db2.gz JRFZMHNVHQMMAG-WDEREUQCSA-N 0 3 252.383 2.594 20 30 CFEDHN CC[C@](O)(CCC(F)(F)F)CNCc1ccc(C#N)o1 ZINC000897520954 620202889 /nfs/dbraw/zinc/20/28/89/620202889.db2.gz BJJHZKQMBDUCNK-LBPRGKRZSA-N 0 3 290.285 2.724 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CCC)s2)C1 ZINC000988889887 620226804 /nfs/dbraw/zinc/22/68/04/620226804.db2.gz BCGXTGAUQSNAFM-CHWSQXEVSA-N 0 3 290.432 2.526 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897825437 620290491 /nfs/dbraw/zinc/29/04/91/620290491.db2.gz YVGMUOZWDGWUFU-VUBIOHBQSA-N 0 3 271.360 2.517 20 30 CFEDHN CCO[C@]12CCC[C@@]1(NCc1cccc(C#N)c1)CCO2 ZINC000897977405 620317467 /nfs/dbraw/zinc/31/74/67/620317467.db2.gz GTZUZOYHHIGIKN-SJORKVTESA-N 0 3 286.375 2.724 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000989512299 620380046 /nfs/dbraw/zinc/38/00/46/620380046.db2.gz DSZBWDVWLQXGKV-INIZCTEOSA-N 0 3 289.423 2.550 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3ccsc32)C1 ZINC000989646173 620384406 /nfs/dbraw/zinc/38/44/06/620384406.db2.gz KIXCCJNZAPRXOX-OCCSQVGLSA-N 0 3 298.411 2.727 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2cccn2C(C)C)CC1 ZINC000989677642 620385475 /nfs/dbraw/zinc/38/54/75/620385475.db2.gz XMWQKNOUWFMVMH-UHFFFAOYSA-N 0 3 289.423 2.793 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989923252 620402158 /nfs/dbraw/zinc/40/21/58/620402158.db2.gz VLFQHUSQIXVUOD-PKOBYXMFSA-N 0 3 296.414 2.745 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989922702 620402238 /nfs/dbraw/zinc/40/22/38/620402238.db2.gz RNMVWDCUOQHZTI-UKRRQHHQSA-N 0 3 276.405 2.661 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989919262 620402955 /nfs/dbraw/zinc/40/29/55/620402955.db2.gz NFDZZNBIXRDTPG-RDJZCZTQSA-N 0 3 270.376 2.599 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12 ZINC000989948444 620404567 /nfs/dbraw/zinc/40/45/67/620404567.db2.gz MBFVRRPSXZSODN-HIFRSBDPSA-N 0 3 293.798 2.581 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@@H]12 ZINC000990149065 620410146 /nfs/dbraw/zinc/41/01/46/620410146.db2.gz LONBHOGFLZVYHJ-ACJLOTCBSA-N 0 3 290.451 2.968 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccco1 ZINC000926946582 620429475 /nfs/dbraw/zinc/42/94/75/620429475.db2.gz GBQWSZILOCDURQ-CTASWTNQSA-N 0 3 277.364 2.680 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1Cc2ccccc2[C@@H]1O ZINC000898393365 620458343 /nfs/dbraw/zinc/45/83/43/620458343.db2.gz QRXKWLSOEKAVRV-HKUYNNGSSA-N 0 3 295.382 2.999 20 30 CFEDHN C=CC(C)(C)NCc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000898457187 620466792 /nfs/dbraw/zinc/46/67/92/620466792.db2.gz LNFDJDRFUWZFDK-UHFFFAOYSA-N 0 3 293.411 2.506 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@@H]12 ZINC000990891424 620868817 /nfs/dbraw/zinc/86/88/17/620868817.db2.gz NREHKXJFPDXVHH-NVXWUHKLSA-N 0 3 299.374 2.674 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@H](c2ccccc2F)C1 ZINC000801919955 621128276 /nfs/dbraw/zinc/12/82/76/621128276.db2.gz PMUQZZJOXFGJTR-STQMWFEESA-N 0 3 262.328 2.544 20 30 CFEDHN C[C@@H](NCCOc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902759643 621166556 /nfs/dbraw/zinc/16/65/56/621166556.db2.gz BDZVZBAHELQWOE-GFCCVEGCSA-N 0 3 285.322 2.822 20 30 CFEDHN Cc1ccccc1[C@H](O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902802007 621173478 /nfs/dbraw/zinc/17/34/78/621173478.db2.gz HQTQWKJQHANLLF-CXAGYDPISA-N 0 3 281.359 2.646 20 30 CFEDHN CC(C)CC[C@@](C)(O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902814311 621184956 /nfs/dbraw/zinc/18/49/56/621184956.db2.gz CDSWTLYIRXVNOG-XJKSGUPXSA-N 0 3 275.396 2.791 20 30 CFEDHN C[C@H](NC[C@@](C)(O)c1ccsc1)c1cc(C#N)ccn1 ZINC000902817032 621185804 /nfs/dbraw/zinc/18/58/04/621185804.db2.gz UJHUIRFGYUHBME-XHDPSFHLSA-N 0 3 287.388 2.573 20 30 CFEDHN C[C@H](NC[C@](C)(O)c1ccsc1)c1cc(C#N)ccn1 ZINC000902817031 621185873 /nfs/dbraw/zinc/18/58/73/621185873.db2.gz UJHUIRFGYUHBME-NHYWBVRUSA-N 0 3 287.388 2.573 20 30 CFEDHN C[C@@H](NCCCNc1ccccn1)c1cc(C#N)ccn1 ZINC000902836644 621187679 /nfs/dbraw/zinc/18/76/79/621187679.db2.gz ZWKOYRNWGTWIEF-CYBMUJFWSA-N 0 3 281.363 2.501 20 30 CFEDHN Cc1cccc([C@H](O)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902882845 621198784 /nfs/dbraw/zinc/19/87/84/621198784.db2.gz ZWGRXSRXRXESAH-CXAGYDPISA-N 0 3 281.359 2.646 20 30 CFEDHN CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(C#N)c1 ZINC000902890300 621200273 /nfs/dbraw/zinc/20/02/73/621200273.db2.gz ZJUBKRBRZWOWMN-CHWSQXEVSA-N 0 3 286.297 2.912 20 30 CFEDHN C[C@H](NC[C@@](C)(O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902889053 621200390 /nfs/dbraw/zinc/20/03/90/621200390.db2.gz ACRPEJFLJAOMKS-YVEFUNNKSA-N 0 3 299.349 2.651 20 30 CFEDHN C[C@H](NC[C@H]1CCCCS1)c1cc(C#N)ccn1 ZINC000902947829 621212099 /nfs/dbraw/zinc/21/20/99/621212099.db2.gz MLKOAADAGIVXDJ-WCQYABFASA-N 0 3 261.394 2.890 20 30 CFEDHN C#CCN(C(=O)Nc1cc(C)cc(C)c1)C1CCN(C)CC1 ZINC000902985170 621217742 /nfs/dbraw/zinc/21/77/42/621217742.db2.gz FVYVGOKEYBHFSE-UHFFFAOYSA-N 0 3 299.418 2.865 20 30 CFEDHN CO[C@H](CN[C@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000903004586 621227431 /nfs/dbraw/zinc/22/74/31/621227431.db2.gz FPXFNLGVNQSTIG-PBHICJAKSA-N 0 3 295.386 2.862 20 30 CFEDHN C[C@H](N[C@@H](C)[C@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000903037803 621231514 /nfs/dbraw/zinc/23/15/14/621231514.db2.gz BWNSOLFQXYMSJM-DEYYWGMASA-N 0 3 295.386 2.900 20 30 CFEDHN CO[C@@](C)([C@H](C)N[C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903020367 621232921 /nfs/dbraw/zinc/23/29/21/621232921.db2.gz YITIBTWJMNKDAV-WQGACYEGSA-N 0 3 273.380 2.807 20 30 CFEDHN C[C@H](N[C@H](CO)CC1CCCCC1)c1cc(C#N)ccn1 ZINC000903022205 621233379 /nfs/dbraw/zinc/23/33/79/621233379.db2.gz HCBIUOXBVLTKPE-BBRMVZONSA-N 0 3 287.407 2.935 20 30 CFEDHN N#CC1(CCN2CC[C@@H](Nc3ncccn3)C2)CCCCC1 ZINC000903023678 621233945 /nfs/dbraw/zinc/23/39/45/621233945.db2.gz PMLRIBQMGLRKKX-OAHLLOKOSA-N 0 3 299.422 2.827 20 30 CFEDHN C[C@H](NC[C@H](O)[C@@H](C)c1ccccc1)c1cc(C#N)ccn1 ZINC000903055641 621235643 /nfs/dbraw/zinc/23/56/43/621235643.db2.gz CEYZJZYSKNOCJU-DEYYWGMASA-N 0 3 295.386 2.768 20 30 CFEDHN CCC[C@H](CN[C@H](C)c1cc(C#N)ccn1)OCC ZINC000903064737 621238953 /nfs/dbraw/zinc/23/89/53/621238953.db2.gz RLRDBEBJRGNGNN-TZMCWYRMSA-N 0 3 261.369 2.809 20 30 CFEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCO[C@@H](C)C#N ZINC000801940734 621240086 /nfs/dbraw/zinc/24/00/86/621240086.db2.gz DJPWNIXUMBYPDK-RYUDHWBXSA-N 0 3 278.400 2.526 20 30 CFEDHN C[C@H](NC[C@@H]1CCC2(CCC2)O1)c1cc(C#N)ccn1 ZINC000903089916 621248976 /nfs/dbraw/zinc/24/89/76/621248976.db2.gz WYKGDPUTZHHHGG-JSGCOSHPSA-N 0 3 271.364 2.706 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903125614 621261889 /nfs/dbraw/zinc/26/18/89/621261889.db2.gz NTWBATNRWXIMDI-GFCCVEGCSA-N 0 3 294.351 2.847 20 30 CFEDHN CCN(C(=O)CN[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000903197957 621282506 /nfs/dbraw/zinc/28/25/06/621282506.db2.gz XTIXVIQZIVGXCJ-LSDHHAIUSA-N 0 3 285.391 2.711 20 30 CFEDHN C[C@H](NCC[C@@H]1CCCC[C@@H]1O)c1cc(C#N)ccn1 ZINC000903263722 621304271 /nfs/dbraw/zinc/30/42/71/621304271.db2.gz NPHNSWZXUCWLQA-NOLJZWGESA-N 0 3 273.380 2.545 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903293097 621312003 /nfs/dbraw/zinc/31/20/03/621312003.db2.gz ARWJJFQVZMFKJC-GXTWGEPZSA-N 0 3 284.359 2.729 20 30 CFEDHN C=C(C)CCc1noc(C23CCCN(CCC2)C3)n1 ZINC000904068511 621512407 /nfs/dbraw/zinc/51/24/07/621512407.db2.gz ACQQBRCMEQTDAK-UHFFFAOYSA-N 0 3 261.369 2.706 20 30 CFEDHN C=CCCc1noc(C[C@H](N)c2ccccc2OCC)n1 ZINC000904732918 621633766 /nfs/dbraw/zinc/63/37/66/621633766.db2.gz GELFKDRPOGOPMI-ZDUSSCGKSA-N 0 3 287.363 2.829 20 30 CFEDHN N#Cc1ccc(-c2nc(C(F)(F)F)n3c2CNCC3)s1 ZINC000904767084 621641771 /nfs/dbraw/zinc/64/17/71/621641771.db2.gz RPMYFMZNDHLDQI-UHFFFAOYSA-N 0 3 298.293 2.605 20 30 CFEDHN CCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905079691 621691064 /nfs/dbraw/zinc/69/10/64/621691064.db2.gz FEGDDNCSNKZBNH-GARZTLJTSA-N 0 3 253.305 2.681 20 30 CFEDHN Cc1cc(C)cc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080507 621691110 /nfs/dbraw/zinc/69/11/10/621691110.db2.gz LSLZFCSYUJQQQB-DELQEKLWSA-N 0 3 253.305 2.736 20 30 CFEDHN CCc1cccc(F)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905084686 621692010 /nfs/dbraw/zinc/69/20/10/621692010.db2.gz KIDIBRNOFQLXGT-FKVCUQLRSA-N 0 3 271.295 2.821 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905084200 621692091 /nfs/dbraw/zinc/69/20/91/621692091.db2.gz HVJSJAOLXLHWNK-PQTFEYQYSA-N 0 3 298.302 2.644 20 30 CFEDHN CC1/C(=C\c2cccc(OC3CC3)c2F)C(=O)c2ncnn21 ZINC000905085092 621692246 /nfs/dbraw/zinc/69/22/46/621692246.db2.gz MAXIODNWNDBJOR-SZUMLMDFSA-N 0 3 299.305 2.799 20 30 CFEDHN CCc1cccc(F)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905084690 621692343 /nfs/dbraw/zinc/69/23/43/621692343.db2.gz KIDIBRNOFQLXGT-MKVDPYIPSA-N 0 3 271.295 2.821 20 30 CFEDHN Cc1scc(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905086744 621692658 /nfs/dbraw/zinc/69/26/58/621692658.db2.gz ULPNLIQIAVLSDA-ORMNHXAVSA-N 0 3 259.334 2.797 20 30 CFEDHN Cc1cccc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905087350 621693007 /nfs/dbraw/zinc/69/30/07/621693007.db2.gz XORWEIBRRNZPPO-DELQEKLWSA-N 0 3 253.305 2.736 20 30 CFEDHN Cc1cc(NN=Cc2nc(C(C)(C)C)co2)ccn1 ZINC000905489601 621784599 /nfs/dbraw/zinc/78/45/99/621784599.db2.gz XYPTUGQAJDZUMB-UHFFFAOYSA-N 0 3 258.325 2.543 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc(C#N)ccc1F ZINC000905519121 621788697 /nfs/dbraw/zinc/78/86/97/621788697.db2.gz RJVKHGUDJKAJQN-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN CC[C@@](O)(CN[C@@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000905906231 621895003 /nfs/dbraw/zinc/89/50/03/621895003.db2.gz RNHKTBMSQVNVBN-GXFFZTMASA-N 0 3 286.297 2.912 20 30 CFEDHN N#CC1(C[C@H](O)CN2CC(c3ccccc3)C2)CCC1 ZINC000905964505 621906216 /nfs/dbraw/zinc/90/62/16/621906216.db2.gz DFIGZXCXPTYKAR-INIZCTEOSA-N 0 3 270.376 2.531 20 30 CFEDHN C=C(C)CN(CC)C(=O)C(C)(C)N1CCCCC1 ZINC000906076911 621929448 /nfs/dbraw/zinc/92/94/48/621929448.db2.gz BXPMBDRUOKMVDO-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C#CCC1(O)CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906597498 622019624 /nfs/dbraw/zinc/01/96/24/622019624.db2.gz PAUFCVGVRZXQQJ-HZPDHXFCSA-N 0 3 273.351 2.532 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(CC)n3)CCC[C@H]12 ZINC000991086859 622063289 /nfs/dbraw/zinc/06/32/89/622063289.db2.gz DHOKNZRHLQSASM-WMZOPIPTSA-N 0 3 299.418 2.557 20 30 CFEDHN C#CCN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000907401789 622121112 /nfs/dbraw/zinc/12/11/12/622121112.db2.gz YOISDEKQXIHICM-UHFFFAOYSA-N 0 3 281.359 2.529 20 30 CFEDHN C#CCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183818596 625545522 /nfs/dbraw/zinc/54/55/22/625545522.db2.gz ZRAOCHZNQBWTMS-UHFFFAOYSA-N 0 3 252.701 2.751 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910281377 622424507 /nfs/dbraw/zinc/42/45/07/622424507.db2.gz XKJHWIWNUWYZMB-DZGCQCFKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000911882032 622569272 /nfs/dbraw/zinc/56/92/72/622569272.db2.gz ISPUOKXJHDKTHI-RDVIWEACSA-N 0 3 276.424 2.755 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(C(C)=O)c1 ZINC000911930636 622589854 /nfs/dbraw/zinc/58/98/54/622589854.db2.gz XMRALRWWJMYNLV-CQSZACIVSA-N 0 3 260.337 2.511 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1nc2ccccc2s1 ZINC000912055032 622613526 /nfs/dbraw/zinc/61/35/26/622613526.db2.gz AIKCJANGUARRSO-NSHDSACASA-N 0 3 289.404 2.596 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000912053994 622621385 /nfs/dbraw/zinc/62/13/85/622621385.db2.gz KBVGBKBGJBMXBJ-QMTHXVAHSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000912077245 622625899 /nfs/dbraw/zinc/62/58/99/622625899.db2.gz GTCJHVLMDMNYRW-HZPDHXFCSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCCOc1cccc(C)c1 ZINC000912151102 622651126 /nfs/dbraw/zinc/65/11/26/622651126.db2.gz SPUOBASKKOUMBN-INIZCTEOSA-N 0 3 290.407 2.564 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000912201169 622661125 /nfs/dbraw/zinc/66/11/25/622661125.db2.gz RJARXUGPQWTFRF-MCIGGMRASA-N 0 3 292.345 2.907 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccccc1Cl ZINC000912237590 622662795 /nfs/dbraw/zinc/66/27/95/622662795.db2.gz LEPCNMHPMLGGGR-CQSZACIVSA-N 0 3 280.799 2.682 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000912239621 622664014 /nfs/dbraw/zinc/66/40/14/622664014.db2.gz XIMOIMSSPKRSIK-HIFRSBDPSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(OC(C)C)c1 ZINC000912262689 622668477 /nfs/dbraw/zinc/66/84/77/622668477.db2.gz XVRJVTRMMARCOY-INIZCTEOSA-N 0 3 290.407 2.774 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1cccs1 ZINC000912465893 622715545 /nfs/dbraw/zinc/71/55/45/622715545.db2.gz ZXMISJNUGZJNKT-VXGBXAGGSA-N 0 3 266.410 2.951 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000912465890 622715675 /nfs/dbraw/zinc/71/56/75/622715675.db2.gz ZXMISJNUGZJNKT-NWDGAFQWSA-N 0 3 266.410 2.951 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(CC)o3)CCC[C@@H]12 ZINC000991415882 622790265 /nfs/dbraw/zinc/79/02/65/622790265.db2.gz LUZWOLUDDUVWJZ-WBVHZDCISA-N 0 3 288.391 2.755 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913097989 622834812 /nfs/dbraw/zinc/83/48/12/622834812.db2.gz WDEOJEKQLQNEJP-INMHGKMJSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913097990 622834927 /nfs/dbraw/zinc/83/49/27/622834927.db2.gz WDEOJEKQLQNEJP-UXLLHSPISA-N 0 3 299.418 2.563 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(CC)C1CCN(C)CC1 ZINC000821401194 622914808 /nfs/dbraw/zinc/91/48/08/622914808.db2.gz REJNAKAEOVPFGU-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(C)c(Br)c1 ZINC000164765951 622967698 /nfs/dbraw/zinc/96/76/98/622967698.db2.gz WTRWGTXTFLIMEB-SNVBAGLBSA-N 0 3 252.155 2.869 20 30 CFEDHN CCCCCCCCN1CCOC[C@H]1C[C@@H](C)O ZINC000156879043 622972982 /nfs/dbraw/zinc/97/29/82/622972982.db2.gz FUBHRDXTYUOGGC-HUUCEWRRSA-N 0 3 257.418 2.819 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)/C=C/c1ccccc1C#N ZINC000058884027 623072391 /nfs/dbraw/zinc/07/23/91/623072391.db2.gz DMQQFUXSKQQFGC-MDZDMXLPSA-N 0 3 299.418 2.618 20 30 CFEDHN Cc1nc(CCNCC#Cc2ccccc2)cs1 ZINC000226387309 623072426 /nfs/dbraw/zinc/07/24/26/623072426.db2.gz UMZIPABVOZZVDZ-UHFFFAOYSA-N 0 3 256.374 2.635 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cncc(CC)c3)CCC[C@@H]12 ZINC000991858489 623186303 /nfs/dbraw/zinc/18/63/03/623186303.db2.gz GODCWUCGYWXSMT-SJLPKXTDSA-N 0 3 299.418 2.557 20 30 CFEDHN CSCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000171482486 623223948 /nfs/dbraw/zinc/22/39/48/623223948.db2.gz BVQCUDZKQZUWOX-VIFPVBQESA-N 0 3 260.318 2.757 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000171776970 623241716 /nfs/dbraw/zinc/24/17/16/623241716.db2.gz NEYDYHNDHWEAGU-GDBMZVCRSA-N 0 3 298.386 2.730 20 30 CFEDHN N#CCOc1ccc(CNCc2cnc3ccccn23)cc1 ZINC000171769110 623242514 /nfs/dbraw/zinc/24/25/14/623242514.db2.gz JGMZJAXROJFFLV-UHFFFAOYSA-N 0 3 292.342 2.526 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000823476368 623330681 /nfs/dbraw/zinc/33/06/81/623330681.db2.gz STBYUQVUUSBCHB-JKSUJKDBSA-N 0 3 276.811 2.945 20 30 CFEDHN C#CCCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000174274513 623408250 /nfs/dbraw/zinc/40/82/50/623408250.db2.gz NFEGRKIMWHGFOK-KRWDZBQOSA-N 0 3 284.403 2.743 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894482 623415555 /nfs/dbraw/zinc/41/55/55/623415555.db2.gz RGTJILVONILQKH-GFCCVEGCSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894482 623415558 /nfs/dbraw/zinc/41/55/58/623415558.db2.gz RGTJILVONILQKH-GFCCVEGCSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ncc(C)cc3C)CCC[C@@H]12 ZINC000991975842 623434587 /nfs/dbraw/zinc/43/45/87/623434587.db2.gz QBUIDCFIOINNNX-CRAIPNDOSA-N 0 3 299.418 2.611 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@H]12 ZINC000992132733 623465093 /nfs/dbraw/zinc/46/50/93/623465093.db2.gz UUUZHVQQBKBNGM-YJBOKZPZSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3Cc4ccccc43)CCC[C@@H]12 ZINC000992152774 623470156 /nfs/dbraw/zinc/47/01/56/623470156.db2.gz KKSYVFXQCAQWNX-ZHALLVOQSA-N 0 3 296.414 2.626 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CCC(F)CC3)CCC[C@@H]12 ZINC000992152135 623470942 /nfs/dbraw/zinc/47/09/42/623470942.db2.gz LRGRAJUVUFINCJ-OCUYMYNFSA-N 0 3 294.414 2.814 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3Cc4ccccc43)CCC[C@H]12 ZINC000992152776 623470986 /nfs/dbraw/zinc/47/09/86/623470986.db2.gz KKSYVFXQCAQWNX-ZIFCJYIRSA-N 0 3 296.414 2.626 20 30 CFEDHN C#C[C@@H](NCc1ccc2c(c1)OCCCCO2)C(C)C ZINC000824364121 623495803 /nfs/dbraw/zinc/49/58/03/623495803.db2.gz RVTPFXIRGFTCNH-OAHLLOKOSA-N 0 3 273.376 2.985 20 30 CFEDHN Cc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ccn1 ZINC000824597059 623529844 /nfs/dbraw/zinc/52/98/44/623529844.db2.gz ODSFGNWCJMOPOA-CQSZACIVSA-N 0 3 281.359 2.971 20 30 CFEDHN Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ccn1 ZINC000824597058 623530289 /nfs/dbraw/zinc/53/02/89/623530289.db2.gz ODSFGNWCJMOPOA-AWEZNQCLSA-N 0 3 281.359 2.971 20 30 CFEDHN C#CCSCCNCc1ncccc1C(F)(F)F ZINC000152766872 623768345 /nfs/dbraw/zinc/76/83/45/623768345.db2.gz VNVWPPJPHKGKBB-UHFFFAOYSA-N 0 3 274.311 2.556 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993011221 623843124 /nfs/dbraw/zinc/84/31/24/623843124.db2.gz FESRVAJPWZFWTI-UKRRQHHQSA-N 0 3 292.448 2.836 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)[C@@H]1C ZINC000993152048 623959962 /nfs/dbraw/zinc/95/99/62/623959962.db2.gz VESZBRQNCPQIJR-LSDHHAIUSA-N 0 3 288.391 2.502 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC000993152047 623960181 /nfs/dbraw/zinc/96/01/81/623960181.db2.gz VESZBRQNCPQIJR-HUUCEWRRSA-N 0 3 288.391 2.502 20 30 CFEDHN CCN1CCC[C@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000827280511 623979853 /nfs/dbraw/zinc/97/98/53/623979853.db2.gz DUMRYFCACXBTHV-AWEZNQCLSA-N 0 3 271.364 2.657 20 30 CFEDHN CCN(C(=O)CN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000915217622 623999153 /nfs/dbraw/zinc/99/91/53/623999153.db2.gz WZBTYCVJARRBEY-CQSZACIVSA-N 0 3 285.391 2.564 20 30 CFEDHN C#Cc1cnc(NC[C@H](c2ccc(C)o2)N2CCCC2)nc1 ZINC000827530727 624024929 /nfs/dbraw/zinc/02/49/29/624024929.db2.gz MPQCWYVNROHXMC-OAHLLOKOSA-N 0 3 296.374 2.608 20 30 CFEDHN C#C[C@H](NCc1ccc(SC)s1)C1CCOCC1 ZINC000827558845 624031191 /nfs/dbraw/zinc/03/11/91/624031191.db2.gz ABDHJMORYAWEKL-ZDUSSCGKSA-N 0 3 281.446 2.988 20 30 CFEDHN C#C[C@@H](NCc1cc(C)nc(Cl)c1)C1CCOCC1 ZINC000827560852 624032840 /nfs/dbraw/zinc/03/28/40/624032840.db2.gz VKCKOEDCQABEFX-CQSZACIVSA-N 0 3 278.783 2.561 20 30 CFEDHN C#C[C@H](NCc1cnc(C2CC2)s1)C1CCOCC1 ZINC000827566666 624034438 /nfs/dbraw/zinc/03/44/38/624034438.db2.gz YGCJVXMJXBNCKZ-AWEZNQCLSA-N 0 3 276.405 2.539 20 30 CFEDHN C#C[C@H](NCc1ccc(OC)c(Cl)c1)C1CCOCC1 ZINC000827570829 624035841 /nfs/dbraw/zinc/03/58/41/624035841.db2.gz RVKDAYKZNPKGCS-HNNXBMFYSA-N 0 3 293.794 2.867 20 30 CFEDHN N#CC[C@@H](O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000929882315 624070215 /nfs/dbraw/zinc/07/02/15/624070215.db2.gz MROKHASDZGIDCX-HUUCEWRRSA-N 0 3 283.375 2.622 20 30 CFEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000827823406 624102362 /nfs/dbraw/zinc/10/23/62/624102362.db2.gz NYPXSOUBWOYXJM-UHFFFAOYSA-N 0 3 297.402 2.857 20 30 CFEDHN C#CCCN(C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000827823820 624103776 /nfs/dbraw/zinc/10/37/76/624103776.db2.gz VFWGALUISVABCJ-VQHVLOKHSA-N 0 3 288.347 2.580 20 30 CFEDHN C#CCCN(C/C=C/c1ccc(F)c(F)c1)CCOC ZINC000827827114 624103984 /nfs/dbraw/zinc/10/39/84/624103984.db2.gz PIYXQEFSMZAZTQ-AATRIKPKSA-N 0 3 279.330 2.950 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993505846 624147949 /nfs/dbraw/zinc/14/79/49/624147949.db2.gz NOMCYRHJDZDFTJ-JBCIKUTRSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C ZINC000993524444 624149558 /nfs/dbraw/zinc/14/95/58/624149558.db2.gz UGBRFNRTQFGZPJ-WCQYABFASA-N 0 3 286.366 2.577 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993654274 624156509 /nfs/dbraw/zinc/15/65/09/624156509.db2.gz FKXIDDGVMSFYCO-GDBMZVCRSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993752565 624164302 /nfs/dbraw/zinc/16/43/02/624164302.db2.gz ZGCZDQXNSHPQIQ-DZGCQCFKSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1C ZINC000993758566 624164905 /nfs/dbraw/zinc/16/49/05/624164905.db2.gz APECNPXEQSYGFC-NEPJUHHUSA-N 0 3 295.814 2.827 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993795011 624165733 /nfs/dbraw/zinc/16/57/33/624165733.db2.gz WWHOTHLBPWNCFH-GJZGRUSLSA-N 0 3 276.424 2.888 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@@H]1C ZINC000993820246 624169390 /nfs/dbraw/zinc/16/93/90/624169390.db2.gz JUEDXAGBAQUTIW-YJBOKZPZSA-N 0 3 296.414 2.936 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994153893 624180239 /nfs/dbraw/zinc/18/02/39/624180239.db2.gz BGZHCBGSDFORMR-HUUCEWRRSA-N 0 3 294.414 2.651 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994196279 624181840 /nfs/dbraw/zinc/18/18/40/624181840.db2.gz YOPSDVQBPLERLP-XJKSGUPXSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C)[C@@H]1C ZINC000994255142 624243415 /nfs/dbraw/zinc/24/34/15/624243415.db2.gz BGAOVEXKWHOERV-QWHCGFSZSA-N 0 3 252.402 2.578 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN2CCOCC2)cc1 ZINC000916289623 624236926 /nfs/dbraw/zinc/23/69/26/624236926.db2.gz JKXMHDMXHJDQFV-UHFFFAOYSA-N 0 3 289.423 2.979 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2cccc(F)c2)[C@@H]1C ZINC000994352305 624277971 /nfs/dbraw/zinc/27/79/71/624277971.db2.gz RAIQBFKAHLILFU-BBRMVZONSA-N 0 3 290.382 2.523 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829744640 624518931 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CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000838624182 626502128 /nfs/dbraw/zinc/50/21/28/626502128.db2.gz KWUHRGZBYSVUCP-UHFFFAOYSA-N 0 3 298.390 2.553 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC(F)(F)F ZINC000838789020 626506835 /nfs/dbraw/zinc/50/68/35/626506835.db2.gz XSIKHYSWRVAOKX-VHSXEESVSA-N 0 3 292.301 2.590 20 30 CFEDHN C#CCCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000838970637 626517527 /nfs/dbraw/zinc/51/75/27/626517527.db2.gz HFLDBTIOPRZECV-UHFFFAOYSA-N 0 3 267.756 2.947 20 30 CFEDHN C=CCN1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839160866 626531259 /nfs/dbraw/zinc/53/12/59/626531259.db2.gz VISZXOOASWIIRK-HNNXBMFYSA-N 0 3 267.319 2.896 20 30 CFEDHN C#CC[C@@H](NCc1ccc2c(c1)nnn2C)c1ccccc1 ZINC000756998482 626543279 /nfs/dbraw/zinc/54/32/79/626543279.db2.gz WUGGOZHSEMAEGL-MRXNPFEDSA-N 0 3 290.370 2.823 20 30 CFEDHN CC[C@@H]1CN(CCCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757103468 626545056 /nfs/dbraw/zinc/54/50/56/626545056.db2.gz CVIOCLNGVDFZAK-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839677511 626552124 /nfs/dbraw/zinc/55/21/24/626552124.db2.gz URVIVPZXQBKNCN-HNNXBMFYSA-N 0 3 266.385 2.648 20 30 CFEDHN C(=NNC1CCOCC1)c1ccccc1N1CCCCC1 ZINC000757585346 626555975 /nfs/dbraw/zinc/55/59/75/626555975.db2.gz HQRHYCPHUSPRKJ-UHFFFAOYSA-N 0 3 287.407 2.779 20 30 CFEDHN CCN(C)c1ccc(C(C)=NNC2CCOCC2)cc1 ZINC000757586934 626556020 /nfs/dbraw/zinc/55/60/20/626556020.db2.gz ZUCDZEBZPZYWSU-UHFFFAOYSA-N 0 3 275.396 2.635 20 30 CFEDHN C#CC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000757618041 626556504 /nfs/dbraw/zinc/55/65/04/626556504.db2.gz PIAJKGMIFLQBSN-UXLLHSPISA-N 0 3 284.403 2.740 20 30 CFEDHN C=CC[C@H](CO)NCc1c(Cl)cccc1N1CCCC1 ZINC000758003345 626572027 /nfs/dbraw/zinc/57/20/27/626572027.db2.gz NCOWYQKUVMTIEW-CYBMUJFWSA-N 0 3 294.826 2.967 20 30 CFEDHN C=CC[C@@H](CO)NCc1c(Cl)cccc1N1CCCC1 ZINC000758003346 626572143 /nfs/dbraw/zinc/57/21/43/626572143.db2.gz NCOWYQKUVMTIEW-ZDUSSCGKSA-N 0 3 294.826 2.967 20 30 CFEDHN CC(C)CN(Cn1cccc(C#N)c1=O)C1CCCC1 ZINC000758211441 626582737 /nfs/dbraw/zinc/58/27/37/626582737.db2.gz WGROPIIJKHYCNG-UHFFFAOYSA-N 0 3 273.380 2.578 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cncc(F)c2)nc(C)n1 ZINC000759204866 626636653 /nfs/dbraw/zinc/63/66/53/626636653.db2.gz NBBSWWYLNOKPJK-VQTKUKTRSA-N 0 3 296.305 2.517 20 30 CFEDHN C#CCOCCN1CCCC[C@H]1c1ccccc1OC ZINC000851761465 634514769 /nfs/dbraw/zinc/51/47/69/634514769.db2.gz QJMCOFTXHQEYPF-INIZCTEOSA-N 0 3 273.376 2.872 20 30 CFEDHN C=CCCCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000805184532 626678986 /nfs/dbraw/zinc/67/89/86/626678986.db2.gz ORGITISZPFVJNJ-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN C[C@H]1CC(N=Nc2cccc3cnccc32)CN1C ZINC000761811321 626860296 /nfs/dbraw/zinc/86/02/96/626860296.db2.gz YZPILGHOBFSOPK-NSHDSACASA-N 0 3 254.337 2.727 20 30 CFEDHN COc1ccc(C)cc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000763232129 626972260 /nfs/dbraw/zinc/97/22/60/626972260.db2.gz QVAJTSFLCPWJPP-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000765009533 627112398 /nfs/dbraw/zinc/11/23/98/627112398.db2.gz HNDGBUQCYKKIBJ-HNNXBMFYSA-N 0 3 254.337 2.533 20 30 CFEDHN C#CCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000766900519 627225750 /nfs/dbraw/zinc/22/57/50/627225750.db2.gz LQAHPCZHSSZNFJ-UHFFFAOYSA-N 0 3 285.387 2.855 20 30 CFEDHN C#CCCCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000766904136 627225972 /nfs/dbraw/zinc/22/59/72/627225972.db2.gz WVTNUUQACYWWTD-HZPDHXFCSA-N 0 3 277.408 2.844 20 30 CFEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000769944308 627489525 /nfs/dbraw/zinc/48/95/25/627489525.db2.gz MGGWZWWXZXKYIG-YPMHNXCESA-N 0 3 259.309 2.685 20 30 CFEDHN C[C@H](C#N)CNN=C1CCCC[C@H]1N1CCCCC1 ZINC000771106062 627577957 /nfs/dbraw/zinc/57/79/57/627577957.db2.gz AURJYQRZGZXNRC-UKRRQHHQSA-N 0 3 262.401 2.520 20 30 CFEDHN C=CCN(Cn1cnc2cc(F)c(F)cc21)C1CC1 ZINC000771640209 627620320 /nfs/dbraw/zinc/62/03/20/627620320.db2.gz LXDCPZZAPZTWSA-UHFFFAOYSA-N 0 3 263.291 2.922 20 30 CFEDHN CC#CCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772719193 627739161 /nfs/dbraw/zinc/73/91/61/627739161.db2.gz QDFLTOHYVXBJRJ-UHFFFAOYSA-N 0 3 285.387 2.855 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccoc3)nc21 ZINC000774106138 627888180 /nfs/dbraw/zinc/88/81/80/627888180.db2.gz VRUFTVYOWTZDQC-LBPRGKRZSA-N 0 3 279.299 2.883 20 30 CFEDHN CCC(CC)CNN=Cc1ccc(N2CCOCC2)cc1 ZINC000774477229 627931166 /nfs/dbraw/zinc/93/11/66/627931166.db2.gz JMPWWQSRUXXYQA-UHFFFAOYSA-N 0 3 289.423 2.883 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(C2=NC[C@H](C)S2)CC1 ZINC000774541890 627936459 /nfs/dbraw/zinc/93/64/59/627936459.db2.gz LVVNMGIRGZSRIM-KBPBESRZSA-N 0 3 281.469 2.840 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cc(Cl)cc(OC)c1O ZINC000775177650 627998027 /nfs/dbraw/zinc/99/80/27/627998027.db2.gz BTKKSFRRGRUQRN-VIFPVBQESA-N 0 3 253.729 2.508 20 30 CFEDHN C=C(C)[C@H](N[C@H](C)CCO)c1ccc(F)c(F)c1 ZINC000775558717 628037008 /nfs/dbraw/zinc/03/70/08/628037008.db2.gz QOMLNFZVXPRBJA-YGRLFVJLSA-N 0 3 255.308 2.943 20 30 CFEDHN C#C[C@H](N[C@H](CC)c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000775572826 628040866 /nfs/dbraw/zinc/04/08/66/628040866.db2.gz DGFAONGCKTXOCI-RYRKJORJSA-N 0 3 285.387 2.843 20 30 CFEDHN C#C[C@H](NCCSc1ccccc1F)[C@H]1CCCO1 ZINC000775787913 628068319 /nfs/dbraw/zinc/06/83/19/628068319.db2.gz BRUVYAVKJMUTLP-UONOGXRCSA-N 0 3 279.380 2.688 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000775984912 628091762 /nfs/dbraw/zinc/09/17/62/628091762.db2.gz IDGKIRDGGOHXCC-KFWWJZLASA-N 0 3 287.407 2.502 20 30 CFEDHN CCc1nc2ccccc2n1N=Cc1cnccc1N(C)C ZINC000776185307 628112658 /nfs/dbraw/zinc/11/26/58/628112658.db2.gz HEPHKZGFMUZSEC-UHFFFAOYSA-N 0 3 293.374 2.942 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1ncnc2ccsc21 ZINC000776187381 628113905 /nfs/dbraw/zinc/11/39/05/628113905.db2.gz FXRCJJCPTXKEKS-UHFFFAOYSA-N 0 3 298.375 2.598 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC000776512678 628154597 /nfs/dbraw/zinc/15/45/97/628154597.db2.gz TZZPRUNFDZXKTM-IJLUTSLNSA-N 0 3 284.315 2.819 20 30 CFEDHN Fc1ccc(C2=CCC(=Nn3cnnc3)CC2)cc1 ZINC000776757641 628174941 /nfs/dbraw/zinc/17/49/41/628174941.db2.gz VPSHUHYEFRURSE-UHFFFAOYSA-N 0 3 256.284 2.889 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1C1CCOCC1 ZINC000777742078 628250257 /nfs/dbraw/zinc/25/02/57/628250257.db2.gz DTYRCIJJGBCZMI-GFCCVEGCSA-N 0 3 274.202 2.786 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@@H](CCO)C(C)C ZINC000778173321 628283577 /nfs/dbraw/zinc/28/35/77/628283577.db2.gz SNRHOTQBBWHWOV-HNNXBMFYSA-N 0 3 295.810 2.849 20 30 CFEDHN C=C(CC)CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778184186 628284892 /nfs/dbraw/zinc/28/48/92/628284892.db2.gz DJIZDRYEOHYLGF-UHFFFAOYSA-N 0 3 281.787 2.939 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000852099641 634654060 /nfs/dbraw/zinc/65/40/60/634654060.db2.gz OPBYPNJTRFNLND-RBUKOAKNSA-N 0 3 298.430 2.954 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000852101173 634655684 /nfs/dbraw/zinc/65/56/84/634655684.db2.gz NNTAVOQWGKNBAU-QZTJIDSGSA-N 0 3 284.403 2.645 20 30 CFEDHN C#CCCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000780306649 628453907 /nfs/dbraw/zinc/45/39/07/628453907.db2.gz ZGSAGWCSJMIUFE-MRXNPFEDSA-N 0 3 296.370 2.595 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CN2CCC(C)(C#N)CC2)c1 ZINC000780334601 628456061 /nfs/dbraw/zinc/45/60/61/628456061.db2.gz ZDJBCLFPUDHVNQ-MRXNPFEDSA-N 0 3 272.392 2.963 20 30 CFEDHN C#CCCCN[C@H](CCO)c1ccccc1Br ZINC000782101184 628604463 /nfs/dbraw/zinc/60/44/63/628604463.db2.gz DRDALLVELHODTM-CQSZACIVSA-N 0 3 296.208 2.876 20 30 CFEDHN COc1ccc(N=NC2CN(C)C[C@@H]2C)cc1Cl ZINC000782231825 628617841 /nfs/dbraw/zinc/61/78/41/628617841.db2.gz YQTVVSPEHDTMCO-VIFPVBQESA-N 0 3 267.760 2.698 20 30 CFEDHN CC1(C(=O)C(C#N)c2nc3ccccc3s2)COC1 ZINC000782577749 628646070 /nfs/dbraw/zinc/64/60/70/628646070.db2.gz QMZMNZXUYGXWRA-SECBINFHSA-N 0 3 272.329 2.509 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1c2ccccc2CC[C@@H]1C ZINC000783531701 628717492 /nfs/dbraw/zinc/71/74/92/628717492.db2.gz KXZLNDKKDGKHCP-XJKSGUPXSA-N 0 3 293.432 2.500 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1COC(C)(C)O1 ZINC000852193027 634685012 /nfs/dbraw/zinc/68/50/12/634685012.db2.gz WPZSROOFAMRFFS-IUODEOHRSA-N 0 3 274.364 2.703 20 30 CFEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794111 628929122 /nfs/dbraw/zinc/92/91/22/628929122.db2.gz QLTLJPONIXADIF-QGZVFWFLSA-N 0 3 292.423 2.733 20 30 CFEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786539456 628967176 /nfs/dbraw/zinc/96/71/76/628967176.db2.gz IPYXYYOKVFUTAS-HIFRSBDPSA-N 0 3 286.375 2.756 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787074736 628991358 /nfs/dbraw/zinc/99/13/58/628991358.db2.gz XNLZEGJHDIGCRO-BBRMVZONSA-N 0 3 298.386 2.790 20 30 CFEDHN CCOC1CC(C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000805860584 629050128 /nfs/dbraw/zinc/05/01/28/629050128.db2.gz ICQTUCRUNYIQGP-HTAVTVPLSA-N 0 3 284.315 2.819 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@H]1CCOC1 ZINC000788446815 629068205 /nfs/dbraw/zinc/06/82/05/629068205.db2.gz LCQDCJCLSSXTFV-QVNDSJERSA-N 0 3 285.391 2.662 20 30 CFEDHN CC(=NN[C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000788458505 629070735 /nfs/dbraw/zinc/07/07/35/629070735.db2.gz YYMBKBWEHJNHEK-GOSISDBHSA-N 0 3 297.402 2.800 20 30 CFEDHN C#CCC1(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCCC1 ZINC000788510563 629077278 /nfs/dbraw/zinc/07/72/78/629077278.db2.gz GHVKETGPSDAUKG-MRXNPFEDSA-N 0 3 288.435 2.655 20 30 CFEDHN CC(C)[C@@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805873438 629098017 /nfs/dbraw/zinc/09/80/17/629098017.db2.gz GPDOESJFSINQNN-MRXNPFEDSA-N 0 3 286.375 2.987 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc3c(cc[nH]c3=O)c2)CN1C1CC1 ZINC000789073756 629123557 /nfs/dbraw/zinc/12/35/57/629123557.db2.gz QMSGBRPIUQVOJL-NSHDSACASA-N 0 3 296.374 2.553 20 30 CFEDHN C#CCCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000805912032 629212539 /nfs/dbraw/zinc/21/25/39/629212539.db2.gz OWWFXOBLNKCMBV-UHFFFAOYSA-N 0 3 263.381 2.598 20 30 CFEDHN CN1c2ccc(CN3CCC[C@@H](CC#N)C3)cc2CCC1=O ZINC000852319535 634719990 /nfs/dbraw/zinc/71/99/90/634719990.db2.gz OKKILGZBVQFRGG-AWEZNQCLSA-N 0 3 297.402 2.721 20 30 CFEDHN Cc1ccccc1OCCN1CCC[C@H](CC#N)C1 ZINC000852318789 634720008 /nfs/dbraw/zinc/72/00/08/634720008.db2.gz BJJFGJULRGOUTM-OAHLLOKOSA-N 0 3 258.365 3.000 20 30 CFEDHN N#CC[C@@H]1CCCN(CCCOc2ccc(C#N)cc2)C1 ZINC000852319078 634720089 /nfs/dbraw/zinc/72/00/89/634720089.db2.gz GJWCJMNKHZUQET-INIZCTEOSA-N 0 3 283.375 2.953 20 30 CFEDHN Cc1ccc(OCCN2CCC[C@@H](CC#N)C2)cc1 ZINC000852319819 634721587 /nfs/dbraw/zinc/72/15/87/634721587.db2.gz SBUUFQXHPNSNRX-HNNXBMFYSA-N 0 3 258.365 3.000 20 30 CFEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000791584565 629337115 /nfs/dbraw/zinc/33/71/15/629337115.db2.gz PCFAYBWKAWQGDK-DDTOSNHZSA-N 0 3 298.308 2.864 20 30 CFEDHN C=CCN(Cc1ccc(OC(C)=O)cc1)[C@@H](C)COC ZINC000852356749 634731502 /nfs/dbraw/zinc/73/15/02/634731502.db2.gz NCZPDALECFNYFX-ZDUSSCGKSA-N 0 3 277.364 2.635 20 30 CFEDHN C[C@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1cccc(C#N)c1 ZINC000792276649 629416163 /nfs/dbraw/zinc/41/61/63/629416163.db2.gz NWSOEKUXXOKAIT-SWLSCSKDSA-N 0 3 284.359 2.695 20 30 CFEDHN C#C[C@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000852392492 634737397 /nfs/dbraw/zinc/73/73/97/634737397.db2.gz MKJWTWNLLKGPIU-CVEARBPZSA-N 0 3 299.418 2.533 20 30 CFEDHN CC[C@@H](CC#N)OC(=O)c1cccc(CN(C)C)c1 ZINC000835341030 629642026 /nfs/dbraw/zinc/64/20/26/629642026.db2.gz RHNVLULUXZJYHN-AWEZNQCLSA-N 0 3 260.337 2.597 20 30 CFEDHN CCN(CCO)c1ccc(C=NOCCSC)c(C)c1 ZINC000794576381 629664004 /nfs/dbraw/zinc/66/40/04/629664004.db2.gz GIPOAICEEVJHKF-UHFFFAOYSA-N 0 3 296.436 2.527 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OCC#CC(C)(C)C)c1 ZINC000835390738 629678911 /nfs/dbraw/zinc/67/89/11/629678911.db2.gz SSQYLGGEGSBNSF-UHFFFAOYSA-N 0 3 273.376 2.955 20 30 CFEDHN CN(Cc1cc(Cl)ccc1OCC#N)C1(CO)CCC1 ZINC000795202137 629744925 /nfs/dbraw/zinc/74/49/25/629744925.db2.gz STHKXUAXGVKRMF-UHFFFAOYSA-N 0 3 294.782 2.589 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000796071023 629872372 /nfs/dbraw/zinc/87/23/72/629872372.db2.gz FXQISPCVMAKSPJ-SFHVURJKSA-N 0 3 298.430 2.613 20 30 CFEDHN C[C@H](C[C@H](C)NCC1(C#N)CC1)NC(=O)OC(C)(C)C ZINC000797604720 630087650 /nfs/dbraw/zinc/08/76/50/630087650.db2.gz BRHYGTPGUVXGCQ-NWDGAFQWSA-N 0 3 281.400 2.572 20 30 CFEDHN C=CC[C@@H](CC)NCc1cn(-c2ccccc2)nn1 ZINC000798502933 630196775 /nfs/dbraw/zinc/19/67/75/630196775.db2.gz YCZWEAQBRKPVAQ-CYBMUJFWSA-N 0 3 256.353 2.712 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(CC(C)C)CC2)C1=O ZINC000799127750 630279296 /nfs/dbraw/zinc/27/92/96/630279296.db2.gz QUJQRUVUHGFJFD-HNNXBMFYSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(F)cn1 ZINC000799294172 630292513 /nfs/dbraw/zinc/29/25/13/630292513.db2.gz UCFCDCAHVRIKOD-KRWDZBQOSA-N 0 3 286.350 2.942 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801578155 630460044 /nfs/dbraw/zinc/46/00/44/630460044.db2.gz FLMBEOFBNNBQTE-FUHWJXTLSA-N 0 3 271.404 2.814 20 30 CFEDHN C[C@H](C#N)OCCN(C)Cc1cc2ccccc2o1 ZINC000801924337 630489696 /nfs/dbraw/zinc/48/96/96/630489696.db2.gz NHVATVNGCRKPSJ-GFCCVEGCSA-N 0 3 258.321 2.793 20 30 CFEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCO[C@@H](C)C#N ZINC000801941060 630493121 /nfs/dbraw/zinc/49/31/21/630493121.db2.gz HYIMDALPMCZVFY-JKSUJKDBSA-N 0 3 287.407 2.516 20 30 CFEDHN C[C@H](C#N)OCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000801951599 630494175 /nfs/dbraw/zinc/49/41/75/630494175.db2.gz XFIMQYCIXBQKLB-SNVBAGLBSA-N 0 3 270.735 2.840 20 30 CFEDHN C[C@H](C#N)OCCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000852729212 634816975 /nfs/dbraw/zinc/81/69/75/634816975.db2.gz AIKNFVLDEAZAFX-OAHLLOKOSA-N 0 3 298.386 2.855 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000802042473 630499526 /nfs/dbraw/zinc/49/95/26/630499526.db2.gz GATCXPWRZWKJEA-SDDRHHMPSA-N 0 3 292.285 2.544 20 30 CFEDHN N#CC(C(=O)C1=CCOCC1)c1nccc2ccccc21 ZINC000802226145 630514680 /nfs/dbraw/zinc/51/46/80/630514680.db2.gz CXIXEPGIRFFGMJ-HNNXBMFYSA-N 0 3 278.311 2.758 20 30 CFEDHN C=CCNC(=S)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000802721127 630540867 /nfs/dbraw/zinc/54/08/67/630540867.db2.gz PRVMEOPYXFTDMU-CYBMUJFWSA-N 0 3 297.855 2.593 20 30 CFEDHN C#CCCN(CCOC)C[C@H](OC)c1ccc(Cl)cc1 ZINC000852748920 634823567 /nfs/dbraw/zinc/82/35/67/634823567.db2.gz LBPALOZMZWFPCL-INIZCTEOSA-N 0 3 295.810 2.999 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C#CC1CC1 ZINC000837432731 631028053 /nfs/dbraw/zinc/02/80/53/631028053.db2.gz XXRIAUJNCRPDJC-INIZCTEOSA-N 0 3 296.414 2.523 20 30 CFEDHN C#CCN(Cc1cncc(OC)c1)C1CCCCC1 ZINC000808713296 631033495 /nfs/dbraw/zinc/03/34/95/631033495.db2.gz NDLGWAHLIPKGEB-UHFFFAOYSA-N 0 3 258.365 2.858 20 30 CFEDHN Cc1ccc(C)c(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000102816813 631040045 /nfs/dbraw/zinc/04/00/45/631040045.db2.gz PHADMLZDDUPDLF-MRXNPFEDSA-N 0 3 298.386 2.614 20 30 CFEDHN CCN(C(=O)C#CC1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000837531875 631057859 /nfs/dbraw/zinc/05/78/59/631057859.db2.gz PRDWWDWUUXGLFS-SFHVURJKSA-N 0 3 296.414 2.523 20 30 CFEDHN C[C@H](NC(=O)C#CC(C)(C)C)[C@@H](c1ccccc1)N(C)C ZINC000837539857 631059842 /nfs/dbraw/zinc/05/98/42/631059842.db2.gz XUCLUSXPHIHXGD-YOEHRIQHSA-N 0 3 286.419 2.844 20 30 CFEDHN N#CC1(COC(=O)CCN2CCc3ccccc3C2)CCC1 ZINC000837686518 631108216 /nfs/dbraw/zinc/10/82/16/631108216.db2.gz KYKNGRMCQUVRSX-UHFFFAOYSA-N 0 3 298.386 2.672 20 30 CFEDHN N#CC[C@@H](O)CNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000809578331 631240205 /nfs/dbraw/zinc/24/02/05/631240205.db2.gz LINLRVNZALGMKN-CYBMUJFWSA-N 0 3 298.308 2.949 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(C(=O)NCC)cc2)cc1 ZINC000809605164 631244819 /nfs/dbraw/zinc/24/48/19/631244819.db2.gz BZTIUBPFKKDRFU-UHFFFAOYSA-N 0 3 292.382 2.707 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCCCC)c1 ZINC000809683768 631261372 /nfs/dbraw/zinc/26/13/72/631261372.db2.gz OMMRQVVDRNWCRD-CYBMUJFWSA-N 0 3 261.365 2.985 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000809683497 631261836 /nfs/dbraw/zinc/26/18/36/631261836.db2.gz DNTSKXPYFCQSTG-SNVBAGLBSA-N 0 3 287.281 2.748 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OCCC)c(OC)c1 ZINC000809686263 631262524 /nfs/dbraw/zinc/26/25/24/631262524.db2.gz GFKPBJIZKYLLCP-AWEZNQCLSA-N 0 3 261.365 2.985 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC)c(COCC)c1 ZINC000809686140 631262983 /nfs/dbraw/zinc/26/29/83/631262983.db2.gz SEQRHLOGIPMRNC-OAHLLOKOSA-N 0 3 261.365 2.733 20 30 CFEDHN C#C[C@H](NCc1ccc2c(c1)sc(=O)n2C)C(C)(C)C ZINC000809781368 631287644 /nfs/dbraw/zinc/28/76/44/631287644.db2.gz PKTVCHVRKXSPST-AWEZNQCLSA-N 0 3 288.416 2.738 20 30 CFEDHN C#C[C@@H]([NH2+]Cc1ccc(OCC)cc1[O-])C(C)(C)C ZINC000809781308 631287912 /nfs/dbraw/zinc/28/79/12/631287912.db2.gz OPUNWDLXIPSVIW-OAHLLOKOSA-N 0 3 261.365 2.928 20 30 CFEDHN C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000809789336 631290356 /nfs/dbraw/zinc/29/03/56/631290356.db2.gz CEWUVUIARFKKNS-UHFFFAOYSA-N 0 3 296.370 2.912 20 30 CFEDHN C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000809789336 631290357 /nfs/dbraw/zinc/29/03/57/631290357.db2.gz CEWUVUIARFKKNS-UHFFFAOYSA-N 0 3 296.370 2.912 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810127895 631327593 /nfs/dbraw/zinc/32/75/93/631327593.db2.gz HYIHHAJSWBVPEY-AWEZNQCLSA-N 0 3 270.376 2.877 20 30 CFEDHN CCc1cc(CN[C@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000810218074 631345539 /nfs/dbraw/zinc/34/55/39/631345539.db2.gz OKRGSASLMVHBQA-INIZCTEOSA-N 0 3 266.348 2.621 20 30 CFEDHN C=CCN(Cc1ccccc1C(=O)N(C)C)C(C)C ZINC000841831269 631478102 /nfs/dbraw/zinc/47/81/02/631478102.db2.gz SEGVCTRFOWFTPL-UHFFFAOYSA-N 0 3 260.381 2.785 20 30 CFEDHN C#C[C@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000812045603 631655365 /nfs/dbraw/zinc/65/53/65/631655365.db2.gz NFJKEVYUEKPKIZ-RDJZCZTQSA-N 0 3 299.418 2.535 20 30 CFEDHN C[C@@H](CO)N(C)N=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000842545256 631661293 /nfs/dbraw/zinc/66/12/93/631661293.db2.gz ROSNOULHVIILKB-NZORMZDDSA-N 0 3 287.407 2.596 20 30 CFEDHN C#CCON=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000812234039 631673764 /nfs/dbraw/zinc/67/37/64/631673764.db2.gz MYQPVKHDLUGGGS-UHFFFAOYSA-N 0 3 286.375 2.665 20 30 CFEDHN C=CCN(Cc1cc(C(=O)OC)c(C)n1C)C(C)C ZINC000812744770 631766706 /nfs/dbraw/zinc/76/67/06/631766706.db2.gz WWRDRNATQKHZTO-UHFFFAOYSA-N 0 3 264.369 2.517 20 30 CFEDHN N#CCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000813060988 631822393 /nfs/dbraw/zinc/82/23/93/631822393.db2.gz AEJGDOBQHMXAJU-JTQLQIEISA-N 0 3 253.261 2.698 20 30 CFEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000813059782 631822510 /nfs/dbraw/zinc/82/25/10/631822510.db2.gz HRZODVPGKLOOTG-LBPRGKRZSA-N 0 3 289.722 2.681 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000155795440 650032919 /nfs/dbraw/zinc/03/29/19/650032919.db2.gz GHISCIOUAHXXOO-INIZCTEOSA-N 0 3 279.330 2.876 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCCC#N)c1ccccc1 ZINC000813091330 631832856 /nfs/dbraw/zinc/83/28/56/631832856.db2.gz WBCQAUUPEFYZBZ-LSDHHAIUSA-N 0 3 297.358 2.657 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC2CC2)c1 ZINC000813091398 631833109 /nfs/dbraw/zinc/83/31/09/631833109.db2.gz XGFXZGVZRPAHDG-MRXNPFEDSA-N 0 3 298.386 2.900 20 30 CFEDHN C=CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813102014 631838419 /nfs/dbraw/zinc/83/84/19/631838419.db2.gz MUYRWZALFHKUHX-WCQYABFASA-N 0 3 263.293 2.555 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000843423688 631952444 /nfs/dbraw/zinc/95/24/44/631952444.db2.gz IFHXIWFZZMEXOW-AWEZNQCLSA-N 0 3 259.397 2.873 20 30 CFEDHN C#C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000843637836 632011942 /nfs/dbraw/zinc/01/19/42/632011942.db2.gz GEBFKXHHAGBHHH-DOTOQJQBSA-N 0 3 284.403 2.742 20 30 CFEDHN COC(CN[C@H](CCCC#N)c1ccccc1)OC ZINC000814658716 632104712 /nfs/dbraw/zinc/10/47/12/632104712.db2.gz GNRBWUSUINJLTP-CQSZACIVSA-N 0 3 262.353 2.630 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCC[C@H]1CC1(Cl)Cl ZINC000844279302 632154383 /nfs/dbraw/zinc/15/43/83/632154383.db2.gz RZCKRCRPYGKHMT-QWRGUYRKSA-N 0 3 274.195 2.994 20 30 CFEDHN CCCN(CCC)c1ccc(C=NNC[C@H](C)O)cc1 ZINC000814964741 632181330 /nfs/dbraw/zinc/18/13/30/632181330.db2.gz DGUBMIALMNUQLF-AWEZNQCLSA-N 0 3 277.412 2.617 20 30 CFEDHN CO[C@H](CC(C)C)CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370181 632182953 /nfs/dbraw/zinc/18/29/53/632182953.db2.gz GFIAMNJUQHCQAU-SJORKVTESA-N 0 3 290.407 2.585 20 30 CFEDHN CC(C)O[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000844380774 632187310 /nfs/dbraw/zinc/18/73/10/632187310.db2.gz ZEKCNQRNEUMIEU-KRWDZBQOSA-N 0 3 288.391 2.978 20 30 CFEDHN CC[C@H](NCCO[C@@H](C)C#N)c1ccccc1F ZINC000844392212 632192099 /nfs/dbraw/zinc/19/20/99/632192099.db2.gz ARPAORLHKPMNMF-FZMZJTMJSA-N 0 3 250.317 2.795 20 30 CFEDHN C[C@H](C#N)OCCN1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000844426652 632207148 /nfs/dbraw/zinc/20/71/48/632207148.db2.gz ZJUCZVSXNUOMGD-ZIAGYGMSSA-N 0 3 296.411 2.501 20 30 CFEDHN C[C@@H](C#N)OCCN1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844468778 632223637 /nfs/dbraw/zinc/22/36/37/632223637.db2.gz MMRFTZGFQFGQQN-OLZOCXBDSA-N 0 3 276.355 2.716 20 30 CFEDHN C=CCC(F)(F)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000815328833 632251592 /nfs/dbraw/zinc/25/15/92/632251592.db2.gz JSIVFEFJKHCZTJ-ZDUSSCGKSA-N 0 3 286.366 2.675 20 30 CFEDHN CN(CCN1CCCCC1)c1nc(Cl)c(C#N)s1 ZINC000845761815 632555322 /nfs/dbraw/zinc/55/53/22/632555322.db2.gz QXWRTLKVKXXYJC-UHFFFAOYSA-N 0 3 284.816 2.590 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817676292 632684116 /nfs/dbraw/zinc/68/41/16/632684116.db2.gz CWGQSWHNQKEQJZ-LSDHHAIUSA-N 0 3 297.443 2.510 20 30 CFEDHN C=C1CCN(C(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000846684896 632773585 /nfs/dbraw/zinc/77/35/85/632773585.db2.gz XIHRRQPGQSPUQX-CYBMUJFWSA-N 0 3 293.798 2.612 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CNCCC1(F)F ZINC000817979913 632777076 /nfs/dbraw/zinc/77/70/76/632777076.db2.gz FYZSFLMEIHZAIT-LSDHHAIUSA-N 0 3 291.345 2.522 20 30 CFEDHN C=CCC[C@H](CCC)NCc1nn(CC)nc1C ZINC000818345440 632835234 /nfs/dbraw/zinc/83/52/34/632835234.db2.gz URFDRJIPPZTMOE-ZDUSSCGKSA-N 0 3 250.390 2.831 20 30 CFEDHN CCc1ccc(C#CC(=O)N2CCCN(C)C[C@@H]2CC)cc1 ZINC000846989814 632870272 /nfs/dbraw/zinc/87/02/72/632870272.db2.gz VTMREJAFKFQJPA-SFHVURJKSA-N 0 3 298.430 2.543 20 30 CFEDHN C=C(Br)CN[C@@H](CC)[C@@H]1CCCCO1 ZINC000847074610 632911945 /nfs/dbraw/zinc/91/19/45/632911945.db2.gz AVFRRTDLCZRJAF-QWRGUYRKSA-N 0 3 262.191 2.832 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)C1CCCCC1 ZINC000818599272 632876666 /nfs/dbraw/zinc/87/66/66/632876666.db2.gz HOTFUDHUITZOEP-OAHLLOKOSA-N 0 3 278.440 2.664 20 30 CFEDHN CC[C@@H](NCCO[C@H](C)C#N)c1ccccc1F ZINC000847017710 632882523 /nfs/dbraw/zinc/88/25/23/632882523.db2.gz ARPAORLHKPMNMF-BXUZGUMPSA-N 0 3 250.317 2.795 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000847022672 632886513 /nfs/dbraw/zinc/88/65/13/632886513.db2.gz IOZRYVYHXBJNHQ-INIZCTEOSA-N 0 3 298.430 2.918 20 30 CFEDHN C=CCCCCCCNC(=O)CN1CC[C@@H](C)C1 ZINC000848071455 633198766 /nfs/dbraw/zinc/19/87/66/633198766.db2.gz RPHIXBWKWOQDNO-CQSZACIVSA-N 0 3 252.402 2.581 20 30 CFEDHN c1ccc2[nH]c(N=NC3CCCN4CCCC[C@@H]34)nc2c1 ZINC000848400087 633248722 /nfs/dbraw/zinc/24/87/22/633248722.db2.gz BVLGLDXUNNTSJW-HNNXBMFYSA-N 0 3 283.379 2.979 20 30 CFEDHN N#Cc1cccc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848403826 633249444 /nfs/dbraw/zinc/24/94/44/633249444.db2.gz AEULNISIJFBXMS-INIZCTEOSA-N 0 3 268.364 2.974 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000848924068 633405822 /nfs/dbraw/zinc/40/58/22/633405822.db2.gz MTOQILSIWFHIDM-ZDUSSCGKSA-N 0 3 259.397 2.563 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2C)C1 ZINC000848924120 633407291 /nfs/dbraw/zinc/40/72/91/633407291.db2.gz OERJQHQDBNLUHY-CQSZACIVSA-N 0 3 273.376 2.857 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000848924561 633407898 /nfs/dbraw/zinc/40/78/98/633407898.db2.gz VIBYSPPZBGGZFV-OAHLLOKOSA-N 0 3 269.392 2.527 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)CCCCC)nn1 ZINC000850005672 633788470 /nfs/dbraw/zinc/78/84/70/633788470.db2.gz HEPPTBGTMHWRPU-CYBMUJFWSA-N 0 3 250.390 2.913 20 30 CFEDHN C=CCCCCC[C@H](C)NCc1cn(CC)nn1 ZINC000850522159 634030251 /nfs/dbraw/zinc/03/02/51/634030251.db2.gz FZRAJQNOMHSEBY-ZDUSSCGKSA-N 0 3 250.390 2.913 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cccnc1Cl ZINC000850531464 634038600 /nfs/dbraw/zinc/03/86/00/634038600.db2.gz FIBNMHGVGMRBLB-NSHDSACASA-N 0 3 254.761 2.978 20 30 CFEDHN C=CCC[C@H](NCCN(C)C(=O)OC)c1ccco1 ZINC000850547389 634047602 /nfs/dbraw/zinc/04/76/02/634047602.db2.gz FLFHKMQDDPYRLV-LBPRGKRZSA-N 0 3 266.341 2.575 20 30 CFEDHN C[C@@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000850760737 634081888 /nfs/dbraw/zinc/08/18/88/634081888.db2.gz WLZFDWPTNAJUTL-UWVGGRQHSA-N 0 3 289.722 2.537 20 30 CFEDHN Cc1cc(C)cc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000853098976 634904189 /nfs/dbraw/zinc/90/41/89/634904189.db2.gz MVBQFWMKOUZJRU-INIZCTEOSA-N 0 3 298.386 2.614 20 30 CFEDHN C#Cc1cccnc1NC[C@H](C)N1CCc2ccccc2C1 ZINC000853150554 634919482 /nfs/dbraw/zinc/91/94/82/634919482.db2.gz YPRYBSQGZJZAMQ-HNNXBMFYSA-N 0 3 291.398 2.922 20 30 CFEDHN OC1CCN(c2ccc(C=NOCCC3CC3)cc2)CC1 ZINC000853351512 634980489 /nfs/dbraw/zinc/98/04/89/634980489.db2.gz KGRRCXQLYMPQOD-UHFFFAOYSA-N 0 3 288.391 2.798 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1cc(F)cc(Cl)c1 ZINC000853397176 634994045 /nfs/dbraw/zinc/99/40/45/634994045.db2.gz XQOXLBJQVGIQLU-MRVPVSSYSA-N 0 3 255.724 2.829 20 30 CFEDHN C=CC1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC000111632137 635116623 /nfs/dbraw/zinc/11/66/23/635116623.db2.gz AGUYOEDAPHMQEL-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C#CC1CC1 ZINC000854515287 635322426 /nfs/dbraw/zinc/32/24/26/635322426.db2.gz SIHIXBULPHNXTK-SJLPKXTDSA-N 0 3 294.398 2.543 20 30 CFEDHN CCCCCCN(C)CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000855254366 635494053 /nfs/dbraw/zinc/49/40/53/635494053.db2.gz JFFHVXMXKQEGPB-HNNXBMFYSA-N 0 3 279.428 2.651 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](C)c2ccncc2)cc1 ZINC000113312536 635531973 /nfs/dbraw/zinc/53/19/73/635531973.db2.gz FWCBVQXQASMOKL-AWEZNQCLSA-N 0 3 266.344 2.944 20 30 CFEDHN C=CCCO[N-]C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000856030534 635705324 /nfs/dbraw/zinc/70/53/24/635705324.db2.gz HVSJMBQMYHUSNV-MRXNPFEDSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCCO[N-]C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000856030534 635705325 /nfs/dbraw/zinc/70/53/25/635705325.db2.gz HVSJMBQMYHUSNV-MRXNPFEDSA-N 0 3 288.391 2.523 20 30 CFEDHN Clc1cnc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000857220149 635949912 /nfs/dbraw/zinc/94/99/12/635949912.db2.gz COCKKYLQZHKBBC-LBPRGKRZSA-N 0 3 279.775 2.546 20 30 CFEDHN C=CC(C)(C)CCNCc1cn(-c2ccccc2)nn1 ZINC000858207225 636155303 /nfs/dbraw/zinc/15/53/03/636155303.db2.gz ZHKUXGKVPHIFBY-UHFFFAOYSA-N 0 3 270.380 2.959 20 30 CFEDHN C#CC[C@H](COC)NCc1cn(-c2cccc(C)c2)nc1C ZINC000858334499 636194283 /nfs/dbraw/zinc/19/42/83/636194283.db2.gz OQMCRIVLEBINKI-QGZVFWFLSA-N 0 3 297.402 2.617 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cc(Cl)ccc1OC ZINC000858334742 636195597 /nfs/dbraw/zinc/19/55/97/636195597.db2.gz YKXXYJGPYVFVNE-AWEZNQCLSA-N 0 3 281.783 2.867 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(OCC2CC2)cc1 ZINC000858335566 636196036 /nfs/dbraw/zinc/19/60/36/636196036.db2.gz YODVDINPZGIHCE-MRXNPFEDSA-N 0 3 273.376 2.603 20 30 CFEDHN C=CCC[C@@H](CC)NC(c1ccnn1C)c1ccnn1C ZINC000858581248 636299627 /nfs/dbraw/zinc/29/96/27/636299627.db2.gz GSDVQXLJUQWUCH-CYBMUJFWSA-N 0 3 287.411 2.577 20 30 CFEDHN CCCCCCCCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000116309152 636336862 /nfs/dbraw/zinc/33/68/62/636336862.db2.gz AFOFPQZZBKMLTG-KGLIPLIRSA-N 0 3 254.418 2.946 20 30 CFEDHN C[C@H](CN(C)[C@H](C)CCC#N)NC(=O)OC(C)(C)C ZINC000860097403 636785402 /nfs/dbraw/zinc/78/54/02/636785402.db2.gz SVBYZYQXSSUIAJ-VXGBXAGGSA-N 0 3 269.389 2.524 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)C(F)(F)F ZINC000860468047 636892430 /nfs/dbraw/zinc/89/24/30/636892430.db2.gz HYILLQCJEODFBC-MWLCHTKSSA-N 0 3 298.264 2.922 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000860483165 636894017 /nfs/dbraw/zinc/89/40/17/636894017.db2.gz PXIRHBGBAQCVON-NWDGAFQWSA-N 0 3 297.314 2.516 20 30 CFEDHN N#CC(C(=O)CC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000117531600 636896715 /nfs/dbraw/zinc/89/67/15/636896715.db2.gz ZEDJSFFQLBVJLS-LBPRGKRZSA-N 0 3 283.331 2.556 20 30 CFEDHN Cc1ccc2c(c1)CCC2=NNc1ccnc(C)c1 ZINC000863158778 637572763 /nfs/dbraw/zinc/57/27/63/637572763.db2.gz QIQATTCJWCVMIL-UHFFFAOYSA-N 0 3 251.333 2.883 20 30 CFEDHN Cc1cc(NN=Cc2cnc(C(C)C)s2)ccn1 ZINC000863159722 637574639 /nfs/dbraw/zinc/57/46/39/637574639.db2.gz ZERYVAFXAASYGV-UHFFFAOYSA-N 0 3 260.366 2.838 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\CCc2ccccc2)CC1 ZINC000865192842 638220993 /nfs/dbraw/zinc/22/09/93/638220993.db2.gz GFUMUZJWHDFMOC-XFFZJAGNSA-N 0 3 298.430 2.942 20 30 CFEDHN CC(C)(C)c1csc(CNC2CCN(CC#N)CC2)n1 ZINC000865455983 638345347 /nfs/dbraw/zinc/34/53/47/638345347.db2.gz CYIDPLGTPUIUSJ-UHFFFAOYSA-N 0 3 292.452 2.518 20 30 CFEDHN CCC(C)(C)OCCNCc1cc(C#N)ccc1N(C)C ZINC000865598467 638449694 /nfs/dbraw/zinc/44/96/94/638449694.db2.gz HHMZCAFVFGPMFC-UHFFFAOYSA-N 0 3 289.423 2.919 20 30 CFEDHN C=CCN1CCC(N[C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866261704 638783128 /nfs/dbraw/zinc/78/31/28/638783128.db2.gz YUNMUWLAEKJUFA-NVXWUHKLSA-N 0 3 290.382 2.698 20 30 CFEDHN CCn1ccnc1[C@H](C)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000866615145 638855440 /nfs/dbraw/zinc/85/54/40/638855440.db2.gz BNXAZHGDUAEHGB-LRDDRELGSA-N 0 3 280.375 2.593 20 30 CFEDHN CC(C)N1CCCC[C@H]1COC(=O)c1coc(C#N)c1 ZINC000870007529 639496752 /nfs/dbraw/zinc/49/67/52/639496752.db2.gz RSRDAQRKRGWQKC-ZDUSSCGKSA-N 0 3 276.336 2.571 20 30 CFEDHN C#CCCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000192125538 650541152 /nfs/dbraw/zinc/54/11/52/650541152.db2.gz ZLPHDYRTPFWNMV-UHFFFAOYSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871188252 641236264 /nfs/dbraw/zinc/23/62/64/641236264.db2.gz NFIVNYTYGMCVEI-SFHVURJKSA-N 0 3 298.430 2.879 20 30 CFEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193398724 650650921 /nfs/dbraw/zinc/65/09/21/650650921.db2.gz IIORLSQNIIDZEJ-LLVKDONJSA-N 0 3 264.712 2.643 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000123747215 641407435 /nfs/dbraw/zinc/40/74/35/641407435.db2.gz ZOWFZOHPCKHMST-WFASDCNBSA-N 0 3 284.359 2.558 20 30 CFEDHN C=CCOCCC[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872086122 641619997 /nfs/dbraw/zinc/61/99/97/641619997.db2.gz SEAYIVVONBLCGD-LLVKDONJSA-N 0 3 253.317 2.775 20 30 CFEDHN CC(=NNc1cnnn1C)c1ccc(C2CCC2)cc1 ZINC000872379432 641782117 /nfs/dbraw/zinc/78/21/17/641782117.db2.gz YFKMAZGKVKSELG-UHFFFAOYSA-N 0 3 269.352 2.919 20 30 CFEDHN Cc1c(Cl)cnc(N2CC[C@@H]3[C@@H]2CCCN3C)c1C#N ZINC000872779066 641934031 /nfs/dbraw/zinc/93/40/31/641934031.db2.gz DQMCVJQENNIQON-KGLIPLIRSA-N 0 3 290.798 2.588 20 30 CFEDHN N#CC(C(=O)NC1CCCC1)C(=O)C1CCC=CCC1 ZINC000873499225 642224076 /nfs/dbraw/zinc/22/40/76/642224076.db2.gz ZZQQNPVVNYLISK-CQSZACIVSA-N 0 3 274.364 2.500 20 30 CFEDHN C#CCCCCCCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000876535335 642909551 /nfs/dbraw/zinc/90/95/51/642909551.db2.gz NGGUUTSKXQRVFS-INIZCTEOSA-N 0 3 299.480 2.859 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)cc1C ZINC000876553673 642919147 /nfs/dbraw/zinc/91/91/47/642919147.db2.gz QQQQXDSWQAWXAW-SNVBAGLBSA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccccc1C ZINC000876557357 642920182 /nfs/dbraw/zinc/92/01/82/642920182.db2.gz FVWWKMIICWDMNO-DGCLKSJQSA-N 0 3 266.772 2.642 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccnn1C1CCCCC1 ZINC000876555768 642920650 /nfs/dbraw/zinc/92/06/50/642920650.db2.gz FZTAVVQAFKTWEN-LBPRGKRZSA-N 0 3 296.802 2.797 20 30 CFEDHN C#CCCCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000876564702 642924694 /nfs/dbraw/zinc/92/46/94/642924694.db2.gz CCNDYNSWWSRAGL-UHFFFAOYSA-N 0 3 296.418 2.659 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000876562990 642924767 /nfs/dbraw/zinc/92/47/67/642924767.db2.gz ZSZZDYBUOREITC-VIFPVBQESA-N 0 3 293.219 2.830 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000876562984 642924878 /nfs/dbraw/zinc/92/48/78/642924878.db2.gz ZJZLFIRRUWWAJR-NSHDSACASA-N 0 3 298.770 2.502 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000876570343 642928651 /nfs/dbraw/zinc/92/86/51/642928651.db2.gz AOLVPFDEVMKHBX-JQWIXIFHSA-N 0 3 284.812 2.785 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000876572358 642929411 /nfs/dbraw/zinc/92/94/11/642929411.db2.gz LEJGBQKRBRVBQH-LSDHHAIUSA-N 0 3 292.810 2.690 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000876575698 642930476 /nfs/dbraw/zinc/93/04/76/642930476.db2.gz PHVJZGTULALUFR-DGCLKSJQSA-N 0 3 266.772 2.642 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000876578625 642932195 /nfs/dbraw/zinc/93/21/95/642932195.db2.gz VBKPTZBZNXSFIQ-JTQLQIEISA-N 0 3 290.697 2.696 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1ccc(OC)cc1 ZINC000876580240 642933499 /nfs/dbraw/zinc/93/34/99/642933499.db2.gz SAFKBIIDXZRXBF-CYBMUJFWSA-N 0 3 282.771 2.518 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000876588227 642935101 /nfs/dbraw/zinc/93/51/01/642935101.db2.gz CSMWAETXSOSFPT-OCCSQVGLSA-N 0 3 280.799 2.984 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCC1CCCCC1 ZINC000876594251 642937863 /nfs/dbraw/zinc/93/78/63/642937863.db2.gz MTVLBAXKYLNHDL-CYBMUJFWSA-N 0 3 272.820 2.933 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000876597812 642939707 /nfs/dbraw/zinc/93/97/07/642939707.db2.gz UEBKFBGPQXZJNK-UKRRQHHQSA-N 0 3 292.810 2.693 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1CC ZINC000876602819 642941741 /nfs/dbraw/zinc/94/17/41/642941741.db2.gz GXRNFYSAINAGNK-SRVKXCTJSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC)cc1C ZINC000876610569 642943425 /nfs/dbraw/zinc/94/34/25/642943425.db2.gz XILAASRXVLKSSP-GFCCVEGCSA-N 0 3 282.771 2.802 20 30 CFEDHN CCCCCCC[C@H](C)CNC(=O)c1c(CN)cnn1C ZINC000876611572 642944890 /nfs/dbraw/zinc/94/48/90/642944890.db2.gz KDGMJDTYQVAGAR-ZDUSSCGKSA-N 0 3 294.443 2.605 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccccc1C ZINC000876627921 642949984 /nfs/dbraw/zinc/94/99/84/642949984.db2.gz LBIVXNLGJUAUOV-CQSZACIVSA-N 0 3 294.826 2.859 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)Cc1ccccc1 ZINC000876637160 642953332 /nfs/dbraw/zinc/95/33/32/642953332.db2.gz RPDFIHRUAJLUEN-ZIAGYGMSSA-N 0 3 280.799 2.594 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCCc1ccccc1 ZINC000876643636 642956397 /nfs/dbraw/zinc/95/63/97/642956397.db2.gz IOSREAAWRUNNGQ-OAHLLOKOSA-N 0 3 294.826 2.986 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CSC)c1 ZINC000876654033 642959852 /nfs/dbraw/zinc/95/98/52/642959852.db2.gz XDAYAWMNWIDDMD-GFCCVEGCSA-N 0 3 284.812 2.958 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H](SCC)C1 ZINC000876658902 642961647 /nfs/dbraw/zinc/96/16/47/642961647.db2.gz JCAIQHYVWQQCDA-NWDGAFQWSA-N 0 3 290.860 2.591 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000876663261 642962751 /nfs/dbraw/zinc/96/27/51/642962751.db2.gz ZMQCNCXOQHFIKA-AWEZNQCLSA-N 0 3 294.782 2.884 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@H](N)CC(=C)Cl ZINC000876670360 642966666 /nfs/dbraw/zinc/96/66/66/642966666.db2.gz JZQSHXSMYHOUSV-LBPRGKRZSA-N 0 3 258.793 2.661 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)c2ccccc21 ZINC000876687264 642972547 /nfs/dbraw/zinc/97/25/47/642972547.db2.gz HKGURHSLQYFCCM-GFCCVEGCSA-N 0 3 278.783 2.781 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000876687484 642973045 /nfs/dbraw/zinc/97/30/45/642973045.db2.gz JWSZNEHTIKIZLQ-CYBMUJFWSA-N 0 3 292.766 2.861 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1CCC ZINC000876689563 642974623 /nfs/dbraw/zinc/97/46/23/642974623.db2.gz GEQBKRTVYIMIQT-WXHSDQCUSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[C@@H](SCC)C1 ZINC000876699071 642979035 /nfs/dbraw/zinc/97/90/35/642979035.db2.gz PLYFIZISDZKIIU-TUAOUCFPSA-N 0 3 290.860 2.589 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CCC)CCC1 ZINC000876703813 642980104 /nfs/dbraw/zinc/98/01/04/642980104.db2.gz OQUHSZNSOJFSSX-NSHDSACASA-N 0 3 258.793 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(CC)c1 ZINC000876881501 643048761 /nfs/dbraw/zinc/04/87/61/643048761.db2.gz ICCPMVGVGMYZDR-CYBMUJFWSA-N 0 3 266.772 2.966 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000876881772 643048775 /nfs/dbraw/zinc/04/87/75/643048775.db2.gz OXFXXARILCQSGP-CYBMUJFWSA-N 0 3 295.814 2.778 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1NCC ZINC000876884431 643051399 /nfs/dbraw/zinc/05/13/99/643051399.db2.gz JEAUYYSTGYHCLK-LLVKDONJSA-N 0 3 281.787 2.835 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000876902661 643059194 /nfs/dbraw/zinc/05/91/94/643059194.db2.gz PNNXOIMXAAJQOR-LDYMZIIASA-N 0 3 288.725 2.612 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccc(C)cc2)CCC1 ZINC000876939851 643073073 /nfs/dbraw/zinc/07/30/73/643073073.db2.gz MSQXYULMLQADGH-CQSZACIVSA-N 0 3 292.810 2.960 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2C)CCC1 ZINC000876945190 643075076 /nfs/dbraw/zinc/07/50/76/643075076.db2.gz VJMBYRKPDADUDB-CQSZACIVSA-N 0 3 292.810 2.960 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)Cc1ccc(F)cc1 ZINC000876960392 643082661 /nfs/dbraw/zinc/08/26/61/643082661.db2.gz XXIKUGKGXKUVDL-UONOGXRCSA-N 0 3 298.789 2.733 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000876970938 643088302 /nfs/dbraw/zinc/08/83/02/643088302.db2.gz HGMXFMFRVACAFW-SQLBVSGCSA-N 0 3 292.757 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC(C2CCC2)CC1 ZINC000876975811 643088990 /nfs/dbraw/zinc/08/89/90/643088990.db2.gz LLFCJCUZVOBPFA-RUXDESIVSA-N 0 3 284.831 2.931 20 30 CFEDHN CSCCCCNCc1cc(C#N)cnc1Cl ZINC000877050320 643121276 /nfs/dbraw/zinc/12/12/76/643121276.db2.gz LPRSUYBCKYUMNR-UHFFFAOYSA-N 0 3 269.801 2.839 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@H]1CC1(F)F ZINC000877069242 643132984 /nfs/dbraw/zinc/13/29/84/643132984.db2.gz YQAYDHYZGKVXBX-GZMMTYOYSA-N 0 3 254.255 2.831 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H]1CCCO1 ZINC000877123879 643162575 /nfs/dbraw/zinc/16/25/75/643162575.db2.gz QMBDCTBQHWJHKC-OLZOCXBDSA-N 0 3 279.771 2.654 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000877220571 643205515 /nfs/dbraw/zinc/20/55/15/643205515.db2.gz HSUCXNPEZXPAFZ-UONOGXRCSA-N 0 3 284.831 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cncc(C)c1 ZINC000877270167 643218166 /nfs/dbraw/zinc/21/81/66/643218166.db2.gz 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/nfs/dbraw/zinc/79/15/48/645791548.db2.gz UULCEAYNLDCQLD-LSDHHAIUSA-N 0 3 283.799 2.944 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000883392058 645791587 /nfs/dbraw/zinc/79/15/87/645791587.db2.gz ZFPUIBOLEHUBAQ-DMDPSCGWSA-N 0 3 279.355 2.996 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(Cl)ccc1F ZINC000883400991 645797477 /nfs/dbraw/zinc/79/74/77/645797477.db2.gz ZIQRLYSVNMMYFD-LBPRGKRZSA-N 0 3 257.736 2.896 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(Cl)ccc1F ZINC000883400990 645797632 /nfs/dbraw/zinc/79/76/32/645797632.db2.gz ZIQRLYSVNMMYFD-GFCCVEGCSA-N 0 3 257.736 2.896 20 30 CFEDHN C=CC[C@@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481243 646695496 /nfs/dbraw/zinc/69/54/96/646695496.db2.gz LXCUUQYICJRCNV-VXGBXAGGSA-N 0 3 267.369 2.531 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1cccc(C)c1 ZINC000136480736 646811259 /nfs/dbraw/zinc/81/12/59/646811259.db2.gz XHPUXUSCNQAXPE-SFHVURJKSA-N 0 3 295.382 2.830 20 30 CFEDHN C=CCCOCCNCc1cc(C)cc(OC)c1OC ZINC000886046663 646840815 /nfs/dbraw/zinc/84/08/15/646840815.db2.gz LJCSLODMTHUIDW-UHFFFAOYSA-N 0 3 279.380 2.695 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2cccnc2)CCC1 ZINC000886089947 646862336 /nfs/dbraw/zinc/86/23/36/646862336.db2.gz NHPDUMGQGBRYOK-CVEARBPZSA-N 0 3 285.391 2.663 20 30 CFEDHN C[C@@H](c1ccncc1)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886091586 646863924 /nfs/dbraw/zinc/86/39/24/646863924.db2.gz DHYVFYUEVJXDHR-ZFWWWQNUSA-N 0 3 273.380 2.519 20 30 CFEDHN N#CC(C(=O)CCCc1ccccn1)c1ccccn1 ZINC000136538009 646866460 /nfs/dbraw/zinc/86/64/60/646866460.db2.gz YPRKTNFKCBTFQF-CQSZACIVSA-N 0 3 265.316 2.676 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)cc(OC)c1OC ZINC000886134222 646888646 /nfs/dbraw/zinc/88/86/46/646888646.db2.gz MNTSNPQXDDPTMA-CABCVRRESA-N 0 3 291.391 2.835 20 30 CFEDHN CSc1ccc(CNCc2[nH]ncc2C)cc1C#N ZINC000886277499 646947960 /nfs/dbraw/zinc/94/79/60/646947960.db2.gz SOPDCDIONKNBHB-UHFFFAOYSA-N 0 3 272.377 2.602 20 30 CFEDHN CSc1ccc(CNCc2ccn(C)c2)cc1C#N ZINC000886277517 646948167 /nfs/dbraw/zinc/94/81/67/646948167.db2.gz TYMWYQFOIDLAPP-UHFFFAOYSA-N 0 3 271.389 2.908 20 30 CFEDHN C#CC[C@H]1CCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000886359379 646986262 /nfs/dbraw/zinc/98/62/62/646986262.db2.gz BERNOQDSTDHHFZ-HNNXBMFYSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC[C@@H]1CC[N@@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000886359339 646986570 /nfs/dbraw/zinc/98/65/70/646986570.db2.gz ASNCYNMNUICJKN-CYBMUJFWSA-N 0 3 297.354 2.652 20 30 CFEDHN C#CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000886359339 646986574 /nfs/dbraw/zinc/98/65/74/646986574.db2.gz ASNCYNMNUICJKN-CYBMUJFWSA-N 0 3 297.354 2.652 20 30 CFEDHN C#CCN(C(=O)[C@H](C)c1ccccc1C)C1CCN(C)CC1 ZINC000886571031 647050637 /nfs/dbraw/zinc/05/06/37/647050637.db2.gz GIGPYTGBQUFVSR-MRXNPFEDSA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C1CCN(C)CC1 ZINC000886574448 647051495 /nfs/dbraw/zinc/05/14/95/647051495.db2.gz GJZXXWOOGSQWKH-MRXNPFEDSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C(=O)[C@H]1CCCC[C@H]1CC)C1CCN(C)CC1 ZINC000886577512 647052960 /nfs/dbraw/zinc/05/29/60/647052960.db2.gz KZRNJMNMQQMMCF-WBVHZDCISA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000886582442 647054014 /nfs/dbraw/zinc/05/40/14/647054014.db2.gz UWYFVVMKNZQFNF-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000886620820 647072204 /nfs/dbraw/zinc/07/22/04/647072204.db2.gz UJUAWMSZEAOQCP-GOSISDBHSA-N 0 3 297.402 2.919 20 30 CFEDHN C#CCN1CCC[C@H](N[C@@H](C)c2ccc(CC)o2)C1 ZINC000886661312 647095412 /nfs/dbraw/zinc/09/54/12/647095412.db2.gz RIBDSGDNILTTQO-KBPBESRZSA-N 0 3 260.381 2.590 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821826 647152741 /nfs/dbraw/zinc/15/27/41/647152741.db2.gz IBNCODJIMDNDBR-HZPDHXFCSA-N 0 3 256.349 2.559 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822284 647153564 /nfs/dbraw/zinc/15/35/64/647153564.db2.gz OMZMPNJSLFVFQF-DLBZAZTESA-N 0 3 255.361 2.539 20 30 CFEDHN N#Cc1c(CN2CC[C@H]([C@@H]3CCCO3)C2)cn2ccccc12 ZINC000886834785 647157750 /nfs/dbraw/zinc/15/77/50/647157750.db2.gz CVGWYMGBQMQRBE-KSSFIOAISA-N 0 3 295.386 2.812 20 30 CFEDHN COCCN(CCO[C@@H](C)C#N)Cc1ccc(C)c(C)c1 ZINC000887110523 647217273 /nfs/dbraw/zinc/21/72/73/647217273.db2.gz UMMSPBPAEBHWIE-INIZCTEOSA-N 0 3 290.407 2.681 20 30 CFEDHN C#CCC1(NCc2cc(OC(C)C)ccn2)CCOCC1 ZINC000887120723 647217856 /nfs/dbraw/zinc/21/78/56/647217856.db2.gz MYQLNSCFAWZICK-UHFFFAOYSA-N 0 3 288.391 2.531 20 30 CFEDHN CCN1CC[C@H]1C/N=C/c1cc(Cl)ccc1O ZINC000887269944 647254560 /nfs/dbraw/zinc/25/45/60/647254560.db2.gz DRNGCHJWWUEFBN-AAWHYMEISA-N 0 3 252.745 2.559 20 30 CFEDHN CC#CCN1CCC2(C[C@H]2NC(=O)CC2CCCC2)CC1 ZINC001016476164 647820828 /nfs/dbraw/zinc/82/08/28/647820828.db2.gz ZYQCTLMOZKRRFD-MRXNPFEDSA-N 0 3 288.435 2.561 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000924768040 648045407 /nfs/dbraw/zinc/04/54/07/648045407.db2.gz WVHVGLNGJIJRCP-BYCMXARLSA-N 0 3 258.365 2.563 20 30 CFEDHN C=C(C)COCCN[C@@H](CC)c1cccc(OC)n1 ZINC000925531222 648203207 /nfs/dbraw/zinc/20/32/07/648203207.db2.gz JPJBTWQLUNEILE-ZDUSSCGKSA-N 0 3 264.369 2.724 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(N)ccn1 ZINC000925771929 648316039 /nfs/dbraw/zinc/31/60/39/648316039.db2.gz OYCGARWDGKXBMJ-KRWDZBQOSA-N 0 3 278.359 2.703 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cnc2n1CCCC2 ZINC000926378152 648475469 /nfs/dbraw/zinc/47/54/69/648475469.db2.gz GNQVRQSRDIBFLM-LBPRGKRZSA-N 0 3 260.385 2.637 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1c(C2CC2)cnn1C ZINC000926703446 648582778 /nfs/dbraw/zinc/58/27/78/648582778.db2.gz UAVQGCXPMDGAJQ-NSHDSACASA-N 0 3 260.385 2.715 20 30 CFEDHN C=CC(C)(C)CCN[C@H](C)c1nn(CC)nc1C ZINC000926746340 648599257 /nfs/dbraw/zinc/59/92/57/648599257.db2.gz KULXFVFCTRMDHK-LLVKDONJSA-N 0 3 250.390 2.859 20 30 CFEDHN Cc1cc([C@H](C)NCCNc2ccc(C#N)cn2)c(C)o1 ZINC000927161884 648732721 /nfs/dbraw/zinc/73/27/21/648732721.db2.gz BLYSMFYCGKFBSN-LBPRGKRZSA-N 0 3 284.363 2.926 20 30 CFEDHN CCN(CC)C(=O)CN(C)CCCCC1(C#N)CCC1 ZINC000929093004 648977367 /nfs/dbraw/zinc/97/73/67/648977367.db2.gz KRIYXOYUVAIDKS-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000929402327 649045345 /nfs/dbraw/zinc/04/53/45/649045345.db2.gz HREDONBIFWDDIO-HNNXBMFYSA-N 0 3 271.364 2.564 20 30 CFEDHN COc1ccccc1CCN(C)Cc1cncc(C#N)c1 ZINC000929523884 649065804 /nfs/dbraw/zinc/06/58/04/649065804.db2.gz GKIUOZDWKAERLE-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN N#CC[C@@H](O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000929967376 649157215 /nfs/dbraw/zinc/15/72/15/649157215.db2.gz ZFRFVEAPDXGVNK-CYBMUJFWSA-N 0 3 264.756 2.583 20 30 CFEDHN C=C(C)CN(CCO[C@@H]1CCOC1)Cc1ccccc1 ZINC000930273490 649220838 /nfs/dbraw/zinc/22/08/38/649220838.db2.gz PPDOGNZNALQNSK-QGZVFWFLSA-N 0 3 275.392 2.870 20 30 CFEDHN N#Cc1cncc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000930299801 649225134 /nfs/dbraw/zinc/22/51/34/649225134.db2.gz JAUVOPJKEKHTPN-KSZLIROESA-N 0 3 299.418 2.859 20 30 CFEDHN C[C@@H](NCc1cncc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000930562175 649275135 /nfs/dbraw/zinc/27/51/35/649275135.db2.gz XHBHXUSFHVLGSE-BZNIZROVSA-N 0 3 299.399 2.807 20 30 CFEDHN C=CCN(CCSc1ccncc1)[C@@H](C)COC ZINC000930931836 649351943 /nfs/dbraw/zinc/35/19/43/649351943.db2.gz CJGKDOKNJVPVNQ-ZDUSSCGKSA-N 0 3 266.410 2.697 20 30 CFEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2ccns2)cc1 ZINC000931333874 649410902 /nfs/dbraw/zinc/41/09/02/649410902.db2.gz YFRAQSRBGDZUCB-GFCCVEGCSA-N 0 3 299.399 2.804 20 30 CFEDHN C[C@@H]1CN(CC2CCC(C#N)CC2)Cc2c[nH]nc21 ZINC000931464682 649433839 /nfs/dbraw/zinc/43/38/39/649433839.db2.gz BYFPLZMGOQQXPY-PNESKVBLSA-N 0 3 258.369 2.659 20 30 CFEDHN N#CCC1(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1 ZINC000931493863 649441346 /nfs/dbraw/zinc/44/13/46/649441346.db2.gz LWCTZXGZIAVVQN-IRXDYDNUSA-N 0 3 281.403 2.639 20 30 CFEDHN C#CCCCCCCN1CCc2nccc(N)c2C1 ZINC000931517363 649445713 /nfs/dbraw/zinc/44/57/13/649445713.db2.gz XYOCZTUTDBIPJU-UHFFFAOYSA-N 0 3 257.381 2.606 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000931644648 649466816 /nfs/dbraw/zinc/46/68/16/649466816.db2.gz HHXLSMXBLSCEAI-CABCVRRESA-N 0 3 285.391 2.534 20 30 CFEDHN Cn1ccc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000932131649 649545970 /nfs/dbraw/zinc/54/59/70/649545970.db2.gz ZOJGTZVCMFQQQA-MRXNPFEDSA-N 0 3 280.375 2.671 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000932140898 649549312 /nfs/dbraw/zinc/54/93/12/649549312.db2.gz MGNCZMVWGBXXHE-UHFFFAOYSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000932211236 649564703 /nfs/dbraw/zinc/56/47/03/649564703.db2.gz JSZSXSGEPQAKHE-HNNXBMFYSA-N 0 3 289.423 2.574 20 30 CFEDHN N#CCCOCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932215156 649565477 /nfs/dbraw/zinc/56/54/77/649565477.db2.gz UYTGFHSZJRMUOL-HNNXBMFYSA-N 0 3 286.375 2.953 20 30 CFEDHN C=C(C)CN[C@H](CO)c1ccccc1C(F)(F)F ZINC000933239874 649681763 /nfs/dbraw/zinc/68/17/63/649681763.db2.gz JMLIBQKIIXWURJ-GFCCVEGCSA-N 0 3 259.271 2.905 20 30 CFEDHN C#CCOCCN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933270755 649684379 /nfs/dbraw/zinc/68/43/79/649684379.db2.gz QQSCIHIWFVJSBQ-NSHDSACASA-N 0 3 279.767 2.575 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1cc(Cl)cc2c1OCC2 ZINC000933272360 649684692 /nfs/dbraw/zinc/68/46/92/649684692.db2.gz JIACFQUIWASQQB-LLVKDONJSA-N 0 3 294.782 2.856 20 30 CFEDHN N#Cc1ccc(C2CCN(Cc3ccc(N)nc3)CC2)cc1 ZINC000933606518 649705572 /nfs/dbraw/zinc/70/55/72/649705572.db2.gz JIUOATXPQLYPRH-UHFFFAOYSA-N 0 3 292.386 2.915 20 30 CFEDHN O=C1C=COC2(CCN(CCOCC3CCCC3)CC2)C1 ZINC000933648053 649709965 /nfs/dbraw/zinc/70/99/65/649709965.db2.gz QJXZJLQOLHFIHO-UHFFFAOYSA-N 0 3 293.407 2.531 20 30 CFEDHN Cn1cc([C@@H]2CSCCCN2CCC(C)(C)C#N)cn1 ZINC000933978506 649738707 /nfs/dbraw/zinc/73/87/07/649738707.db2.gz QPTNBVMTZFKRFZ-AWEZNQCLSA-N 0 3 292.452 2.840 20 30 CFEDHN C=CC1(CC(=O)N(C)CCN(C)C)CCCCC1 ZINC000934008019 649741638 /nfs/dbraw/zinc/74/16/38/649741638.db2.gz MVYAXTMVOONLRP-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2cncs2)cc1 ZINC000934195104 649758636 /nfs/dbraw/zinc/75/86/36/649758636.db2.gz FHHJPHAWDAKUAC-LBPRGKRZSA-N 0 3 299.399 2.804 20 30 CFEDHN C[C@@H](Cc1cccnc1)NCc1cccc(F)c1C#N ZINC000934230070 649764247 /nfs/dbraw/zinc/76/42/47/649764247.db2.gz MWYTUOUXDWIVTR-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN C=CC[C@H]1CCN1C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000934458647 649788087 /nfs/dbraw/zinc/78/80/87/649788087.db2.gz BOLOAUQPZDMCTD-ZFWWWQNUSA-N 0 3 278.396 2.790 20 30 CFEDHN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000934471319 649791113 /nfs/dbraw/zinc/79/11/13/649791113.db2.gz ICYKXPNJYZUGNH-RHSMWYFYSA-N 0 3 284.403 2.610 20 30 CFEDHN C[C@@H](CCC#N)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934493055 649794747 /nfs/dbraw/zinc/79/47/47/649794747.db2.gz HOGDEHVLYZDDLG-KBPBESRZSA-N 0 3 270.380 2.558 20 30 CFEDHN C=CCCCN(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000934646753 649811872 /nfs/dbraw/zinc/81/18/72/649811872.db2.gz ULFLLJBOMOOBGR-UHFFFAOYSA-N 0 3 271.364 2.785 20 30 CFEDHN C=CCCCN(CC)CC(=O)NCc1sccc1C ZINC000934646807 649811973 /nfs/dbraw/zinc/81/19/73/649811973.db2.gz WISWOGAPIJUOGG-UHFFFAOYSA-N 0 3 280.437 2.961 20 30 CFEDHN C=CCCCN(CC)CC(=O)NCc1ccccc1OC ZINC000934649949 649812130 /nfs/dbraw/zinc/81/21/30/649812130.db2.gz FIKBXYYOFFJFTF-UHFFFAOYSA-N 0 3 290.407 2.600 20 30 CFEDHN CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000960628542 651066981 /nfs/dbraw/zinc/06/69/81/651066981.db2.gz WQPJYCKNDDJZDS-SFHVURJKSA-N 0 3 296.414 2.523 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)c1ccc(Br)cc1 ZINC000305828072 651084312 /nfs/dbraw/zinc/08/43/12/651084312.db2.gz UASZDURFKOBCLQ-CYBMUJFWSA-N 0 3 284.197 2.990 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007401449 651135066 /nfs/dbraw/zinc/13/50/66/651135066.db2.gz OWNMJPXHMNQGAL-IAGOWNOFSA-N 0 3 288.435 2.727 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007611783 651137160 /nfs/dbraw/zinc/13/71/60/651137160.db2.gz SZQHBBVVELNRHQ-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007797608 651139543 /nfs/dbraw/zinc/13/95/43/651139543.db2.gz CBKNHEJNGFHKLE-AWEZNQCLSA-N 0 3 299.374 2.598 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009340063 651159573 /nfs/dbraw/zinc/15/95/73/651159573.db2.gz ZQWMTANVNPANGZ-QGZVFWFLSA-N 0 3 284.403 2.521 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001009385691 651160274 /nfs/dbraw/zinc/16/02/74/651160274.db2.gz VRULKEZJGWIOMP-MRXNPFEDSA-N 0 3 284.403 2.521 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001009613872 651162600 /nfs/dbraw/zinc/16/26/00/651162600.db2.gz VULJZPLEZXJAOE-SFHVURJKSA-N 0 3 296.414 2.782 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001015587751 651204938 /nfs/dbraw/zinc/20/49/38/651204938.db2.gz ODOCZBXXHPJAPE-CYBMUJFWSA-N 0 3 275.396 2.518 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001015740646 651211326 /nfs/dbraw/zinc/21/13/26/651211326.db2.gz AFJXEQOZWZDABK-GFCCVEGCSA-N 0 3 294.345 2.653 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015754361 651211887 /nfs/dbraw/zinc/21/18/87/651211887.db2.gz BPMWZMCTHXOOSU-CYBMUJFWSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811438 651214762 /nfs/dbraw/zinc/21/47/62/651214762.db2.gz GNTLNBVPCWHGRO-CHWSQXEVSA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015805582 651215164 /nfs/dbraw/zinc/21/51/64/651215164.db2.gz CZCNCGXXMDKOOS-ZACQAIPSSA-N 0 3 284.403 2.557 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015978955 651219634 /nfs/dbraw/zinc/21/96/34/651219634.db2.gz RHRZLQKSODTLJF-GFCCVEGCSA-N 0 3 293.436 2.647 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016122526 651224701 /nfs/dbraw/zinc/22/47/01/651224701.db2.gz HKLVSLCHZWPEDJ-NSHDSACASA-N 0 3 298.333 2.988 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001016104731 651225257 /nfs/dbraw/zinc/22/52/57/651225257.db2.gz 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/nfs/dbraw/zinc/34/53/11/775345311.db2.gz LWHOUYHSXFPBOL-HEHGZKQESA-N 0 3 283.412 2.630 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001225149136 775356257 /nfs/dbraw/zinc/35/62/57/775356257.db2.gz HOPSMNSJZURNOD-INIZCTEOSA-N 0 3 292.467 2.910 20 30 CFEDHN CC#CCN1CC[C@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042173262 775367090 /nfs/dbraw/zinc/36/70/90/775367090.db2.gz NDCUTRTVGFNRCI-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccns1 ZINC001225308347 775403070 /nfs/dbraw/zinc/40/30/70/775403070.db2.gz YNKVZZRGQUTIQG-ZIAGYGMSSA-N 0 3 293.436 2.626 20 30 CFEDHN C#CCCN[C@H](CNC(=O)[C@@H](C)CCC)c1ccccc1 ZINC001267516236 775407634 /nfs/dbraw/zinc/40/76/34/775407634.db2.gz BMDRFTDNLOQQIU-DOTOQJQBSA-N 0 3 286.419 2.893 20 30 CFEDHN C#CCCN[C@H](CNC(=O)[C@H](C)CCC)c1ccccc1 ZINC001267516237 775407926 /nfs/dbraw/zinc/40/79/26/775407926.db2.gz BMDRFTDNLOQQIU-NVXWUHKLSA-N 0 3 286.419 2.893 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC001225332910 775415508 /nfs/dbraw/zinc/41/55/08/775415508.db2.gz GRACVWWEZBGYIF-MRXNPFEDSA-N 0 3 298.430 2.642 20 30 CFEDHN C=CCN[C@@H](CNC(=O)Cc1occc1C)c1ccccc1 ZINC001267522922 775419324 /nfs/dbraw/zinc/41/93/24/775419324.db2.gz NCNTWHXFTQZJAM-INIZCTEOSA-N 0 3 298.386 2.764 20 30 CFEDHN Cc1c(C)c(O[C@@H]2CN3CCC2CC3)ccc1C#N ZINC001225514034 775487257 /nfs/dbraw/zinc/48/72/57/775487257.db2.gz WNHUNSUNYKOFOF-MRXNPFEDSA-N 0 3 256.349 2.648 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C/C1CC1 ZINC001225560385 775500162 /nfs/dbraw/zinc/50/01/62/775500162.db2.gz NIVJZWROFBHWDW-SJXIGLKTSA-N 0 3 282.815 2.722 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCC1 ZINC001025187689 775561331 /nfs/dbraw/zinc/56/13/31/775561331.db2.gz BXNFCKOQUGNSIL-DLBZAZTESA-N 0 3 288.435 2.655 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292068 775588289 /nfs/dbraw/zinc/58/82/89/775588289.db2.gz FTOPZTUOPSMRGS-HZPDHXFCSA-N 0 3 290.451 2.901 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2sccc2C)C1 ZINC001025312947 775595612 /nfs/dbraw/zinc/59/56/12/775595612.db2.gz QPASTFNMADBGEJ-KBPBESRZSA-N 0 3 290.432 2.520 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@@H]21 ZINC001042236626 775631497 /nfs/dbraw/zinc/63/14/97/775631497.db2.gz DAXZDMLWWBLXGY-STQMWFEESA-N 0 3 298.377 2.531 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccsc2C)C1 ZINC001025413306 775649548 /nfs/dbraw/zinc/64/95/48/775649548.db2.gz HESWIHUZNVFZSN-GXTWGEPZSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccsc2C)C1 ZINC001025413309 775649737 /nfs/dbraw/zinc/64/97/37/775649737.db2.gz HESWIHUZNVFZSN-TZMCWYRMSA-N 0 3 290.432 2.520 20 30 CFEDHN CC(C)CO[C@@H]1C[C@H](NCC(C)(C)C#N)C1(C)C ZINC000122304756 775689887 /nfs/dbraw/zinc/68/98/87/775689887.db2.gz YCRGQURBLBNRCN-QWHCGFSZSA-N 0 3 252.402 2.965 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001267619922 775703464 /nfs/dbraw/zinc/70/34/64/775703464.db2.gz KCCGYQNNVNYQCO-FUHWJXTLSA-N 0 3 298.430 2.784 20 30 CFEDHN CC[NH+](CC)C[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114044 775704193 /nfs/dbraw/zinc/70/41/93/775704193.db2.gz DFBFSKPVJCANHP-JXCQQFQQSA-N 0 3 250.342 2.604 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606405 775707185 /nfs/dbraw/zinc/70/71/85/775707185.db2.gz FOFFERWFXJKOLT-SJORKVTESA-N 0 3 298.430 2.767 20 30 CFEDHN COc1cccc(C#N)c1O[C@H]1CCCN(C(C)C)C1 ZINC001226251253 775755793 /nfs/dbraw/zinc/75/57/93/775755793.db2.gz XVORDCHZMDIJBA-AWEZNQCLSA-N 0 3 274.364 2.818 20 30 CFEDHN CCN1CCC[C@H](Oc2nc(C(C)C)ccc2C#N)C1 ZINC001226354311 775788160 /nfs/dbraw/zinc/78/81/60/775788160.db2.gz RJNXQLKACJLSHW-AWEZNQCLSA-N 0 3 273.380 2.940 20 30 CFEDHN C#CCCN1CC(CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001267700120 775790198 /nfs/dbraw/zinc/79/01/98/775790198.db2.gz JWNFAJLQNXMPAB-INIZCTEOSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1c(C)noc1C ZINC001277122587 775792262 /nfs/dbraw/zinc/79/22/62/775792262.db2.gz NDHUOVZDIMYLQR-JTQLQIEISA-N 0 3 299.802 2.532 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001267705530 775794758 /nfs/dbraw/zinc/79/47/58/775794758.db2.gz DKLLXPOIPZMJBL-IHRRRGAJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001267741289 775855906 /nfs/dbraw/zinc/85/59/06/775855906.db2.gz QKRMSTCHVBZFSH-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001267753670 775883005 /nfs/dbraw/zinc/88/30/05/775883005.db2.gz BPQMDTPRDAHJKQ-DOTOQJQBSA-N 0 3 286.419 2.632 20 30 CFEDHN C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccnc(N)c2)O1 ZINC001226657448 775907529 /nfs/dbraw/zinc/90/75/29/775907529.db2.gz PXFSKQDITVUNFY-IUODEOHRSA-N 0 3 262.353 2.945 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001267788380 775931874 /nfs/dbraw/zinc/93/18/74/775931874.db2.gz WEWSFLMVVBMMNX-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCC[C@H](C)N1CCC[C@@H](NC(=O)c2cncs2)C1 ZINC001267910012 776034237 /nfs/dbraw/zinc/03/42/37/776034237.db2.gz PLQQCGXOIFKHOL-QWHCGFSZSA-N 0 3 293.436 2.692 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001112090663 776066497 /nfs/dbraw/zinc/06/64/97/776066497.db2.gz RSBUTWGRAZJUEU-IJLUTSLNSA-N 0 3 292.345 2.588 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2c(F)cccc2C#N)C1 ZINC001227287334 776170168 /nfs/dbraw/zinc/17/01/68/776170168.db2.gz IWCXWEGPPGIWJB-ZDUSSCGKSA-N 0 3 262.328 2.949 20 30 CFEDHN CCCCCCCN1CC2(C[C@@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277225047 776242435 /nfs/dbraw/zinc/24/24/35/776242435.db2.gz QCCNVVIMCQKJBD-CQSZACIVSA-N 0 3 290.411 2.641 20 30 CFEDHN CCCCCCCN1CC2(C1)SCC[C@@H]2C(=O)N(C)C ZINC001277225398 776245654 /nfs/dbraw/zinc/24/56/54/776245654.db2.gz JCVGJQADCCTVGR-CQSZACIVSA-N 0 3 298.496 2.853 20 30 CFEDHN CCCCCCN1CC[C@H]2C[C@]21C(=O)NC1(C#N)CCC1 ZINC001277227031 776248381 /nfs/dbraw/zinc/24/83/81/776248381.db2.gz YWDZICUGYSKFMV-WMLDXEAASA-N 0 3 289.423 2.594 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001027397323 776313985 /nfs/dbraw/zinc/31/39/85/776313985.db2.gz XESPIJIJBPSPDQ-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCCCCCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC001228040518 776374124 /nfs/dbraw/zinc/37/41/24/776374124.db2.gz IPUSGMZNVMXZNQ-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001027698246 776412847 /nfs/dbraw/zinc/41/28/47/776412847.db2.gz GIPYZXOYZDMIFZ-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027787922 776453040 /nfs/dbraw/zinc/45/30/40/776453040.db2.gz ZQRGFYFBESDFFZ-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001027905235 776502549 /nfs/dbraw/zinc/50/25/49/776502549.db2.gz VENCJJNAZLMXDA-INIZCTEOSA-N 0 3 298.430 2.946 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001027913647 776506838 /nfs/dbraw/zinc/50/68/38/776506838.db2.gz HUDILMWDROATCJ-LBPRGKRZSA-N 0 3 287.363 2.531 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1ccc(C)o1 ZINC001167807288 776511746 /nfs/dbraw/zinc/51/17/46/776511746.db2.gz FOFUTKCJMGJQTH-GFCCVEGCSA-N 0 3 284.787 2.540 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001027922828 776512815 /nfs/dbraw/zinc/51/28/15/776512815.db2.gz IVZGLSAYBRJVAO-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C=C1CCC1 ZINC001268057983 776523043 /nfs/dbraw/zinc/52/30/43/776523043.db2.gz UPMRVTXFQYSNFM-MRXNPFEDSA-N 0 3 296.414 2.585 20 30 CFEDHN C#CCCCCC(=O)Nc1ccccc1CN(C)C ZINC000692900341 776580491 /nfs/dbraw/zinc/58/04/91/776580491.db2.gz OCAGRGGFMDGTLS-UHFFFAOYSA-N 0 3 258.365 2.880 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081066 776595546 /nfs/dbraw/zinc/59/55/46/776595546.db2.gz LNMUPNYQLDOYCM-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081064 776596134 /nfs/dbraw/zinc/59/61/34/776596134.db2.gz LNMUPNYQLDOYCM-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001028094935 776614552 /nfs/dbraw/zinc/61/45/52/776614552.db2.gz YIRFEQKHEVNOLT-OAHLLOKOSA-N 0 3 289.423 2.587 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001028154111 776665875 /nfs/dbraw/zinc/66/58/75/776665875.db2.gz FAQINXITMYSKCK-CQSZACIVSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001028160380 776671474 /nfs/dbraw/zinc/67/14/74/776671474.db2.gz STZNHDZOEUKGCZ-SFHVURJKSA-N 0 3 298.430 2.558 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001028162796 776672239 /nfs/dbraw/zinc/67/22/39/776672239.db2.gz LTHOYKYFBWVUMG-NCOADZHNSA-N 0 3 290.451 2.969 20 30 CFEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)[C@H]1C ZINC001139726662 776682745 /nfs/dbraw/zinc/68/27/45/776682745.db2.gz YSTCVTMSTYZSAY-BBRMVZONSA-N 0 3 286.375 2.640 20 30 CFEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139727093 776684473 /nfs/dbraw/zinc/68/44/73/776684473.db2.gz HPRKQKUYLTWRSW-OAHLLOKOSA-N 0 3 286.375 2.642 20 30 CFEDHN CN1CCC(Oc2cccc(C#N)c2Br)CC1 ZINC001229004176 776685548 /nfs/dbraw/zinc/68/55/48/776685548.db2.gz CZXNUHCUEZWNAW-UHFFFAOYSA-N 0 3 295.180 2.794 20 30 CFEDHN C#CCCCCC(=O)N1CCC(CCN(C)CCF)CC1 ZINC001268198101 776700709 /nfs/dbraw/zinc/70/07/09/776700709.db2.gz QSAUGTMDACOUMF-UHFFFAOYSA-N 0 3 296.430 2.710 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001028263089 776770181 /nfs/dbraw/zinc/77/01/81/776770181.db2.gz JFMQKMSAZUIBSH-CQSZACIVSA-N 0 3 290.407 2.921 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@H]1CC(C)C ZINC001229291560 776771084 /nfs/dbraw/zinc/77/10/84/776771084.db2.gz GUKGYOHHFCYTEM-INIZCTEOSA-N 0 3 293.455 2.552 20 30 CFEDHN C=CCc1ccc(O)c(O[C@@H]2CCCN(CC)C2)c1 ZINC001229338243 776783623 /nfs/dbraw/zinc/78/36/23/776783623.db2.gz BYRDFZJHOCRQAM-CQSZACIVSA-N 0 3 261.365 2.984 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2cccs2)CC1 ZINC001229393752 776798503 /nfs/dbraw/zinc/79/85/03/776798503.db2.gz WFHGJVFAEJVTPE-CYBMUJFWSA-N 0 3 292.448 2.693 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001039004481 776836904 /nfs/dbraw/zinc/83/69/04/776836904.db2.gz FVLHFJOKKDSHDS-CQSZACIVSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028340490 776863716 /nfs/dbraw/zinc/86/37/16/776863716.db2.gz QVSPORQROBTMQC-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229739455 776883981 /nfs/dbraw/zinc/88/39/81/776883981.db2.gz XCPOBTBWGUZFDI-NAUJWPOSSA-N 0 3 288.391 2.994 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229739455 776883982 /nfs/dbraw/zinc/88/39/82/776883982.db2.gz XCPOBTBWGUZFDI-NAUJWPOSSA-N 0 3 288.391 2.994 20 30 CFEDHN C#CCNCCN(CC)C(=O)C[C@H](CC)c1ccccc1 ZINC001268491579 776893478 /nfs/dbraw/zinc/89/34/78/776893478.db2.gz QLQYKOBDTGIGTO-INIZCTEOSA-N 0 3 286.419 2.642 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(CCOCC)[C@H]1C ZINC001284131809 776915421 /nfs/dbraw/zinc/91/54/21/776915421.db2.gz SRPJPXCBPPIJSM-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CCC(=O)NC/C=C\CNCc1cncc(C)c1 ZINC001268545718 776926446 /nfs/dbraw/zinc/92/64/46/776926446.db2.gz SMFHOLGAQOTAOT-PLNGDYQASA-N 0 3 287.407 2.508 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028555228 776945627 /nfs/dbraw/zinc/94/56/27/776945627.db2.gz UGCYBIBHCZAEOA-CQSZACIVSA-N 0 3 296.370 2.508 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001028582681 776956756 /nfs/dbraw/zinc/95/67/56/776956756.db2.gz VCGWRTRVEWZCMN-INIZCTEOSA-N 0 3 298.430 2.885 20 30 CFEDHN C#CCNC/C=C\CNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001268601636 776995276 /nfs/dbraw/zinc/99/52/76/776995276.db2.gz WKLBJQVCXAFDOA-GIFJBRJJSA-N 0 3 298.430 2.712 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCOC ZINC001230571021 777016217 /nfs/dbraw/zinc/01/62/17/777016217.db2.gz AFGSFBPEUJCHSF-OAHLLOKOSA-N 0 3 284.444 2.526 20 30 CFEDHN CC(C)=C(C)CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268700818 777024387 /nfs/dbraw/zinc/02/43/87/777024387.db2.gz VFDDGCZNMVBRKH-KRWDZBQOSA-N 0 3 298.430 2.879 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001230751918 777057343 /nfs/dbraw/zinc/05/73/43/777057343.db2.gz ANCKAQNWKMZLDC-UKRRQHHQSA-N 0 3 276.380 2.781 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001268973666 777080935 /nfs/dbraw/zinc/08/09/35/777080935.db2.gz CCSMJOZENPFGRN-LUKYLMHMSA-N 0 3 288.435 2.674 20 30 CFEDHN CCCCCCCC(=O)N1CCC2(CN(C)C2)CC1 ZINC001269076156 777097288 /nfs/dbraw/zinc/09/72/88/777097288.db2.gz UUDXZTLARRLFSP-UHFFFAOYSA-N 0 3 266.429 2.901 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001269108483 777103074 /nfs/dbraw/zinc/10/30/74/777103074.db2.gz ZHLZRMNCZWOWIO-LSDHHAIUSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H]1CCC(F)(F)C1 ZINC001269239751 777147503 /nfs/dbraw/zinc/14/75/03/777147503.db2.gz DRWANYYLIUQFKL-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001279957247 777147613 /nfs/dbraw/zinc/14/76/13/777147613.db2.gz ACRSWSZGTDAJDA-HUUCEWRRSA-N 0 3 296.842 2.923 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CCc1ccsc1 ZINC001269249965 777150181 /nfs/dbraw/zinc/15/01/81/777150181.db2.gz XRWGYVDXNONSDL-OAHLLOKOSA-N 0 3 292.448 2.837 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001269254588 777152856 /nfs/dbraw/zinc/15/28/56/777152856.db2.gz BYZRDTWBDLFMMS-ZFWWWQNUSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231139208 777153635 /nfs/dbraw/zinc/15/36/35/777153635.db2.gz MXTCXISNYRDXED-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231139207 777154602 /nfs/dbraw/zinc/15/46/02/777154602.db2.gz MXTCXISNYRDXED-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001269279243 777157241 /nfs/dbraw/zinc/15/72/41/777157241.db2.gz XOLICZMPQHHUCY-UKRRQHHQSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001269278628 777157500 /nfs/dbraw/zinc/15/75/00/777157500.db2.gz 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C=CCN1CCC[C@@]2(CCN(C(=O)c3cccnc3C)C2)C1 ZINC001040359754 778593624 /nfs/dbraw/zinc/59/36/24/778593624.db2.gz HNTYYVFRSLCKMN-GOSISDBHSA-N 0 3 299.418 2.504 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076622055 778599156 /nfs/dbraw/zinc/59/91/56/778599156.db2.gz SJDSPFKXHKILJP-ARFHVFGLSA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCOc1ccc(CN2CCc3cc(N)ccc3C2)cc1 ZINC001236106163 778696846 /nfs/dbraw/zinc/69/68/46/778696846.db2.gz ZETDBFYXUXOOFE-UHFFFAOYSA-N 0 3 292.382 2.839 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000912333087 778720570 /nfs/dbraw/zinc/72/05/70/778720570.db2.gz LIXJTAAOGVOWDO-CQSZACIVSA-N 0 3 278.421 2.923 20 30 CFEDHN [O-]/N=C/c1ccc(-c2cccc3c2CC[NH2+]C3)cc1F ZINC001236360293 778791506 /nfs/dbraw/zinc/79/15/06/778791506.db2.gz QRMKLZJZQUZMFY-VXLYETTFSA-N 0 3 270.307 2.947 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851814 778889440 /nfs/dbraw/zinc/88/94/40/778889440.db2.gz VATYKNGYQSNMKF-AGIUHOORSA-N 0 3 286.366 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C=C(CC)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001123665122 779441596 /nfs/dbraw/zinc/44/15/96/779441596.db2.gz GKJJLDMDWDQPIS-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089468631 779491183 /nfs/dbraw/zinc/49/11/83/779491183.db2.gz ZKNDPSVYNIYGPV-MAUKXSAKSA-N 0 3 288.435 2.583 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001031665038 779521819 /nfs/dbraw/zinc/52/18/19/779521819.db2.gz UQLBTFDYWZJBMU-GXTWGEPZSA-N 0 3 288.391 2.641 20 30 CFEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)CC(C)C)C2)CC1 ZINC001047221380 779534262 /nfs/dbraw/zinc/53/42/62/779534262.db2.gz PNKAQKRFJRZTPV-QGZVFWFLSA-N 0 3 290.451 2.616 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089623156 779547113 /nfs/dbraw/zinc/54/71/13/779547113.db2.gz NEDBJOXLZOBTIZ-HNNXBMFYSA-N 0 3 276.424 2.745 20 30 CFEDHN CCCCCCCCCNC(=S)N1C[C@@H](F)[C@@H](N)C1 ZINC001239401759 779548470 /nfs/dbraw/zinc/54/84/70/779548470.db2.gz JVPONGWGCDBDSB-OLZOCXBDSA-N 0 3 289.464 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SUAKSSFBMDXBGG-ULQDDVLXSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032561907 780036933 /nfs/dbraw/zinc/03/69/33/780036933.db2.gz DUHSPEMKHVMKGM-KBPBESRZSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(=C)CC1 ZINC001032607500 780069975 /nfs/dbraw/zinc/06/99/75/780069975.db2.gz VHRRSEMWCDSRQA-HOTGVXAUSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)C1 ZINC001032614505 780074088 /nfs/dbraw/zinc/07/40/88/780074088.db2.gz RXVKFXHSALJDJI-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)CC)C1 ZINC001032614694 780074804 /nfs/dbraw/zinc/07/48/04/780074804.db2.gz XQIGDYWMRNOIKZ-SNPRPXQTSA-N 0 3 276.424 2.674 20 30 CFEDHN COc1ccc([C@H]2C[C@@H](N3CC(CC#N)C3)CCO2)cc1 ZINC001168632072 780134840 /nfs/dbraw/zinc/13/48/40/780134840.db2.gz XQETXFZFUDPZIP-DOTOQJQBSA-N 0 3 286.375 2.761 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCCC1 ZINC001032725944 780154170 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C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001033447106 780685332 /nfs/dbraw/zinc/68/53/32/780685332.db2.gz QKXNDPCBBXBHOG-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033465795 780690746 /nfs/dbraw/zinc/69/07/46/780690746.db2.gz LQQAGZXXZRLUCD-FUHWJXTLSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001033487294 780692526 /nfs/dbraw/zinc/69/25/26/780692526.db2.gz FFYZRTKUKVSVJB-LSDHHAIUSA-N 0 3 290.407 2.800 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033604989 780729209 /nfs/dbraw/zinc/72/92/09/780729209.db2.gz XNGSEBSQEWLRKW-HNNXBMFYSA-N 0 3 290.794 2.510 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033625982 780733418 /nfs/dbraw/zinc/73/34/18/780733418.db2.gz YZIKUVRHZUGJLQ-CQSZACIVSA-N 0 3 292.448 2.626 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001033673147 780745496 /nfs/dbraw/zinc/74/54/96/780745496.db2.gz MQQRWKZINMQGPC-HNNXBMFYSA-N 0 3 289.423 2.791 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033694831 780752031 /nfs/dbraw/zinc/75/20/31/780752031.db2.gz TZZSTMOGDFQESG-MRXNPFEDSA-N 0 3 290.382 2.879 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033719546 780763662 /nfs/dbraw/zinc/76/36/62/780763662.db2.gz SSYPOJARAUDVSJ-INIZCTEOSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033731992 780768166 /nfs/dbraw/zinc/76/81/66/780768166.db2.gz RMVXHAMXJSDKOZ-MRXNPFEDSA-N 0 3 272.392 2.799 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033733657 780768217 /nfs/dbraw/zinc/76/82/17/780768217.db2.gz FTGPDEXLDVSHDO-MRXNPFEDSA-N 0 3 284.403 2.555 20 30 CFEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033773588 780781075 /nfs/dbraw/zinc/78/10/75/780781075.db2.gz NLPXFTZMPLIYEI-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033766627 780782109 /nfs/dbraw/zinc/78/21/09/780782109.db2.gz YNZMAOBVMWIQHP-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CC(C)C2)C1 ZINC001033788059 780786806 /nfs/dbraw/zinc/78/68/06/780786806.db2.gz AGBRQDVSTXNUCM-YMAMQOFZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033790509 780789880 /nfs/dbraw/zinc/78/98/80/780789880.db2.gz CTJUJSIFTPAXTR-OAHLLOKOSA-N 0 3 262.397 2.596 20 30 CFEDHN N#CC[C@@H]1CCCN(CCOC2CCCCC2)C1 ZINC000701400676 780804719 /nfs/dbraw/zinc/80/47/19/780804719.db2.gz MLRSUGMTFCERDO-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033874514 780814591 /nfs/dbraw/zinc/81/45/91/780814591.db2.gz ZXEYZCCHSBQHQL-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001034092473 780888959 /nfs/dbraw/zinc/88/89/59/780888959.db2.gz UYAKGOBSVVAQFF-INIZCTEOSA-N 0 3 272.392 2.765 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034096979 780891759 /nfs/dbraw/zinc/89/17/59/780891759.db2.gz GJTMRHKMUSDTOU-OAHLLOKOSA-N 0 3 288.391 2.504 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001034095324 780891865 /nfs/dbraw/zinc/89/18/65/780891865.db2.gz LZTRVINDDFDIHQ-CYBMUJFWSA-N 0 3 295.814 2.829 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034194519 780921962 /nfs/dbraw/zinc/92/19/62/780921962.db2.gz LIAUMYLVOBEIRD-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001034236894 780931234 /nfs/dbraw/zinc/93/12/34/780931234.db2.gz OPPQLQGBVBJJPW-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001034322866 780946235 /nfs/dbraw/zinc/94/62/35/780946235.db2.gz KINBKJKBWJLNNO-CYBMUJFWSA-N 0 3 299.374 2.598 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353172 780948380 /nfs/dbraw/zinc/94/83/80/780948380.db2.gz VHQYQMGOLSBCHL-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353118 780948565 /nfs/dbraw/zinc/94/85/65/780948565.db2.gz VFQLAPCDPJHCPC-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034379675 780960684 /nfs/dbraw/zinc/96/06/84/780960684.db2.gz FRNGATBGTORSDC-LBPRGKRZSA-N 0 3 295.814 2.829 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034406995 780965189 /nfs/dbraw/zinc/96/51/89/780965189.db2.gz VETDMIJZWBEIOM-QLFBSQMISA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034395483 780965212 /nfs/dbraw/zinc/96/52/12/780965212.db2.gz XAJQFYCNGLSRMM-GJZGRUSLSA-N 0 3 290.407 2.930 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034397137 780967147 /nfs/dbraw/zinc/96/71/47/780967147.db2.gz GKGKQVHGJBTABA-KGLIPLIRSA-N 0 3 276.380 2.540 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001034424319 780968369 /nfs/dbraw/zinc/96/83/69/780968369.db2.gz NRGLRFSVMPIFKR-CQSZACIVSA-N 0 3 297.402 2.938 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472000 780981938 /nfs/dbraw/zinc/98/19/38/780981938.db2.gz NTXRJQNPLNZGQD-OAHLLOKOSA-N 0 3 294.414 2.653 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034545182 780997465 /nfs/dbraw/zinc/99/74/65/780997465.db2.gz ZGENTEGJWFSTLT-BHUNQDJPSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC1(C)C)CC2 ZINC001035688860 781158555 /nfs/dbraw/zinc/15/85/55/781158555.db2.gz PSSAHSTXOOIXCL-CQSZACIVSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CC(C)(C)C1)CC2 ZINC001035700679 781159821 /nfs/dbraw/zinc/15/98/21/781159821.db2.gz MHTSIKURUSBQHG-UHFFFAOYSA-N 0 3 290.451 2.923 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)(C)C)CC2 ZINC001035734025 781162615 /nfs/dbraw/zinc/16/26/15/781162615.db2.gz NIOLTHLVKHRYMV-OAHLLOKOSA-N 0 3 290.451 2.616 20 30 CFEDHN COc1cccc(-c2ccc3c(c2)COC32CNC2)c1C#N ZINC001242299762 781380051 /nfs/dbraw/zinc/38/00/51/781380051.db2.gz XJOGKVFFKNVJKI-UHFFFAOYSA-N 0 3 292.338 2.563 20 30 CFEDHN Cc1ccc(C#N)cc1-c1cncc(CN(C)C)c1 ZINC001242542529 781581457 /nfs/dbraw/zinc/58/14/57/781581457.db2.gz DNSPOKDPTUYPIQ-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001080339403 781651610 /nfs/dbraw/zinc/65/16/10/781651610.db2.gz HTBJYDYTOPRZQL-ZYHUDNBSSA-N 0 3 298.333 2.843 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001080430103 781658723 /nfs/dbraw/zinc/65/87/23/781658723.db2.gz SGMVPPLPESKJMD-HZSPNIEDSA-N 0 3 292.448 2.864 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001080638765 781672915 /nfs/dbraw/zinc/67/29/15/781672915.db2.gz PKDJZUGYXOBQEB-DVOMOZLQSA-N 0 3 290.382 2.552 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754383 781676793 /nfs/dbraw/zinc/67/67/93/781676793.db2.gz JSTVEYLLZOMBQP-IJEWVQPXSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001080844834 781682759 /nfs/dbraw/zinc/68/27/59/781682759.db2.gz STMWBKWSZTXJLM-GDBMZVCRSA-N 0 3 272.392 2.540 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001080898500 781684878 /nfs/dbraw/zinc/68/48/78/781684878.db2.gz CSFNLPZNGBFHPP-HZPDHXFCSA-N 0 3 286.419 2.848 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001080895884 781686704 /nfs/dbraw/zinc/68/67/04/781686704.db2.gz CCYFSNIHGGQIPL-IUODEOHRSA-N 0 3 292.810 2.505 20 30 CFEDHN Cc1cc(-c2cncc(CN(C)C)c2)ccc1C#N ZINC001242768492 781752039 /nfs/dbraw/zinc/75/20/39/781752039.db2.gz ZFPDFWRYIBNXMU-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001084189079 781777785 /nfs/dbraw/zinc/77/77/85/781777785.db2.gz AAZYROFFWBMLMT-VXGBXAGGSA-N 0 3 294.782 2.655 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001084309143 781788149 /nfs/dbraw/zinc/78/81/49/781788149.db2.gz WZJLRWPMLOOPBQ-DGCLKSJQSA-N 0 3 294.782 2.655 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCC3)[C@@H]2C1 ZINC001084443235 781797386 /nfs/dbraw/zinc/79/73/86/781797386.db2.gz BKKWQBYQHQVURM-NUEKZKHPSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC ZINC001098927613 781858240 /nfs/dbraw/zinc/85/82/40/781858240.db2.gz NOJHVVWYJNSPDV-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230730478 781869461 /nfs/dbraw/zinc/86/94/61/781869461.db2.gz FXQTVXJDGPXSFW-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)o1 ZINC000594508126 349434856 /nfs/dbraw/zinc/43/48/56/349434856.db2.gz AYSWSPYUTMMTAM-HUUCEWRRSA-N 0 3 260.337 2.589 20 30 CFEDHN CCC(C)(C)N1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000594590454 349453242 /nfs/dbraw/zinc/45/32/42/349453242.db2.gz BGSZBJDIEKVEFT-UHFFFAOYSA-N 0 3 298.434 2.753 20 30 CFEDHN Cc1cn[nH]c1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594522056 349441238 /nfs/dbraw/zinc/44/12/38/349441238.db2.gz XRNCHAQJLUHTPN-UHFFFAOYSA-N 0 3 266.348 2.759 20 30 CFEDHN COc1cc(CN[C@H]2CC[C@@H](C)SC2)ccc1C#N ZINC000594525271 349441767 /nfs/dbraw/zinc/44/17/67/349441767.db2.gz UMOCEPCBUSQRAS-RISCZKNCSA-N 0 3 276.405 2.941 20 30 CFEDHN N#Cc1c2c(cnc1N[C@H]1CCCN3CCCC[C@H]13)CCC2 ZINC000594598781 349457340 /nfs/dbraw/zinc/45/73/40/349457340.db2.gz HUVVQHCHLBQNTG-DLBZAZTESA-N 0 3 296.418 2.871 20 30 CFEDHN Cc1ccnc(N[C@@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594601242 349458280 /nfs/dbraw/zinc/45/82/80/349458280.db2.gz MUNCNPNPYHCVNH-HUUCEWRRSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594604364 349460069 /nfs/dbraw/zinc/46/00/69/349460069.db2.gz YRJZQAWGVRJAHT-KBPBESRZSA-N 0 3 274.343 2.521 20 30 CFEDHN N#CC1(Cn2cc(CNC3CCCCC3)nn2)CCCC1 ZINC000594658527 349470003 /nfs/dbraw/zinc/47/00/03/349470003.db2.gz UKSFDEYOMZZIHU-UHFFFAOYSA-N 0 3 287.411 2.784 20 30 CFEDHN N#CC1(c2ccc(CNCCOC(F)(F)F)cc2)CC1 ZINC000594936826 349518476 /nfs/dbraw/zinc/51/84/76/349518476.db2.gz FHBRTBQLBVJPDA-UHFFFAOYSA-N 0 3 284.281 2.868 20 30 CFEDHN C[C@@H]1CC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594943334 349521834 /nfs/dbraw/zinc/52/18/34/349521834.db2.gz CBIHSYFCKBAKBW-CJNGLKHVSA-N 0 3 270.376 2.899 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(Cl)c(Br)c1 ZINC000290006313 197559755 /nfs/dbraw/zinc/55/97/55/197559755.db2.gz YQPYPLCZHAZDRO-SECBINFHSA-N 0 3 290.588 2.739 20 30 CFEDHN CCOC[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594947061 349524251 /nfs/dbraw/zinc/52/42/51/349524251.db2.gz RGMRAFIFXHKZBZ-ZDUSSCGKSA-N 0 3 258.365 2.756 20 30 CFEDHN COCc1csc(CNCC(C)(C)CC#N)c1 ZINC000594946755 349524374 /nfs/dbraw/zinc/52/43/74/349524374.db2.gz QSVKKSBDGUYIES-UHFFFAOYSA-N 0 3 252.383 2.924 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CCc2ccccc2)cc1 ZINC000273072149 192036539 /nfs/dbraw/zinc/03/65/39/192036539.db2.gz HKENUOANGXHRAG-SFHVURJKSA-N 0 3 280.371 2.642 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1ccc(C#N)cc1 ZINC000594955893 349528561 /nfs/dbraw/zinc/52/85/61/349528561.db2.gz GXNZEJRXNITGDQ-INIZCTEOSA-N 0 3 258.365 2.853 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CC1(F)F ZINC000594978842 349536952 /nfs/dbraw/zinc/53/69/52/349536952.db2.gz XKKXTCMKNWGIMR-LBPRGKRZSA-N 0 3 254.255 2.832 20 30 CFEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)cc2F)O1 ZINC000594982620 349537907 /nfs/dbraw/zinc/53/79/07/349537907.db2.gz BURUYDHZHFJQQF-RISCZKNCSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H]1CCC[C@@H](CNCc2ccc(C#N)c(F)c2)O1 ZINC000594982934 349538065 /nfs/dbraw/zinc/53/80/65/349538065.db2.gz CWWOTSHFEUTCSF-FZMZJTMJSA-N 0 3 262.328 2.745 20 30 CFEDHN CC(C)(C)OC(=O)C1(CNCc2ccc(C#N)o2)CCC1 ZINC000594993122 349541281 /nfs/dbraw/zinc/54/12/81/349541281.db2.gz CCXIRGMAEWIZRJ-UHFFFAOYSA-N 0 3 290.363 2.753 20 30 CFEDHN CC1(C)OCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000594993551 349541435 /nfs/dbraw/zinc/54/14/35/349541435.db2.gz BUZZACZSYZCKQG-CYBMUJFWSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H]1CCC[C@@H](CNCc2ccc(C#N)s2)O1 ZINC000594987100 349539881 /nfs/dbraw/zinc/53/98/81/349539881.db2.gz WIUWUYAWKMGROM-QWRGUYRKSA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cc(C#N)cs1 ZINC000595000585 349543235 /nfs/dbraw/zinc/54/32/35/349543235.db2.gz MAZQNZQTKBGFKX-BLLLJJGKSA-N 0 3 286.400 2.874 20 30 CFEDHN C[C@@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595069061 349573379 /nfs/dbraw/zinc/57/33/79/349573379.db2.gz NQSDNSCUKCRCHH-NOZJJQNGSA-N 0 3 284.281 2.772 20 30 CFEDHN Cc1ncncc1[C@@H](C)NCCc1ccc(C#N)cc1 ZINC000595055244 349566567 /nfs/dbraw/zinc/56/65/67/349566567.db2.gz BPGSIGNARAIPEI-GFCCVEGCSA-N 0 3 266.348 2.550 20 30 CFEDHN C=CCCSCCN[C@H](CC)c1cnn(C)c1 ZINC000595057119 349568283 /nfs/dbraw/zinc/56/82/83/349568283.db2.gz ADKISPYWUJRADX-CYBMUJFWSA-N 0 3 253.415 2.770 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cncs1 ZINC000595056738 349568638 /nfs/dbraw/zinc/56/86/38/349568638.db2.gz VQCTVTFGDSZKSR-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN COC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000595066233 349572413 /nfs/dbraw/zinc/57/24/13/349572413.db2.gz GVMKJORDRZKWRX-BJJXKVORSA-N 0 3 274.364 2.665 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCO[C@@H]1CC1(F)F ZINC000595067732 349573143 /nfs/dbraw/zinc/57/31/43/349573143.db2.gz HPPIYOIIMFAAHS-HUUCEWRRSA-N 0 3 292.329 2.949 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCO[C@@H]1CC1(F)F ZINC000595067733 349573236 /nfs/dbraw/zinc/57/32/36/349573236.db2.gz HPPIYOIIMFAAHS-LSDHHAIUSA-N 0 3 292.329 2.949 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2COc3cc(F)ccc3C2)C1 ZINC000595078817 349576513 /nfs/dbraw/zinc/57/65/13/349576513.db2.gz BENWIGRBPSVMOW-KCPJHIHWSA-N 0 3 274.339 2.801 20 30 CFEDHN CC[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000595090024 349577103 /nfs/dbraw/zinc/57/71/03/349577103.db2.gz BSWXRCWOQASUOZ-ZIAGYGMSSA-N 0 3 250.386 2.865 20 30 CFEDHN COC(=O)C1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595091954 349579114 /nfs/dbraw/zinc/57/91/14/349579114.db2.gz TZWZUTYULKWISH-UHFFFAOYSA-N 0 3 278.396 2.782 20 30 CFEDHN CSc1c(F)cccc1NC(=O)[C@H](N)CCCCC#N ZINC000595257793 349588026 /nfs/dbraw/zinc/58/80/26/349588026.db2.gz WYGBVCMLVXMWKX-LLVKDONJSA-N 0 3 295.383 2.897 20 30 CFEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000068211376 346839814 /nfs/dbraw/zinc/83/98/14/346839814.db2.gz CKLVHXDSIINDJY-QLFBSQMISA-N 0 3 291.439 2.553 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C(=C)C)c1 ZINC000934886808 649847650 /nfs/dbraw/zinc/84/76/50/649847650.db2.gz MJUAOOFJBDJKGS-UHFFFAOYSA-N 0 3 285.391 2.796 20 30 CFEDHN N#Cc1ccc(CN2CCN(C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000595286450 349591369 /nfs/dbraw/zinc/59/13/69/349591369.db2.gz HUSPVAYTAGIQAJ-REPLKXPHSA-N 0 3 295.430 2.722 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000595346119 349607239 /nfs/dbraw/zinc/60/72/39/349607239.db2.gz DQMYGUXADGGCAY-KRWDZBQOSA-N 0 3 293.370 2.649 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595376558 349612101 /nfs/dbraw/zinc/61/21/01/349612101.db2.gz KYFPXWFLWLVGLV-QXCFHYIPSA-N 0 3 295.430 2.915 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)Cc1cccnc1 ZINC000595388201 349614460 /nfs/dbraw/zinc/61/44/60/349614460.db2.gz HOAGZFPJDGJGMJ-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN CO[C@@H](CN1CCC(C)(C#N)CC1)C1CCCC1 ZINC000595431056 349624351 /nfs/dbraw/zinc/62/43/51/349624351.db2.gz XENOKIINZBRYMA-AWEZNQCLSA-N 0 3 250.386 2.817 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595517683 349649021 /nfs/dbraw/zinc/64/90/21/349649021.db2.gz OQSVPGQIBICASE-OCCSQVGLSA-N 0 3 280.299 2.557 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](c3ccccn3)C2)C1 ZINC000595500830 349643334 /nfs/dbraw/zinc/64/33/34/349643334.db2.gz FSGUPPUDQIVPQX-ILXRZTDVSA-N 0 3 255.365 2.953 20 30 CFEDHN N#Cc1ccc(CCN[C@H](CCO)c2ccccc2F)cc1 ZINC000595557184 349659065 /nfs/dbraw/zinc/65/90/65/349659065.db2.gz IIXKDOPKVONEKX-GOSISDBHSA-N 0 3 298.361 2.953 20 30 CFEDHN CN(CCN1CCCCC1)[C@@H](C#N)c1ccccc1 ZINC000595561852 349660877 /nfs/dbraw/zinc/66/08/77/349660877.db2.gz FCGHFPTYMFYTDL-INIZCTEOSA-N 0 3 257.381 2.669 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCO[C@@H]1CC1(F)F ZINC000595548088 349656536 /nfs/dbraw/zinc/65/65/36/349656536.db2.gz ACNWRDDEBSZGQM-BXUZGUMPSA-N 0 3 280.318 2.975 20 30 CFEDHN CO[C@H](CN(C)[C@@H](C)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000595551163 349657400 /nfs/dbraw/zinc/65/74/00/349657400.db2.gz VUDMDPZVEAYTEF-RRQGHBQHSA-N 0 3 288.391 2.603 20 30 CFEDHN N#Cc1ccc(N2CC[C@H](N3C[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000595565409 349661705 /nfs/dbraw/zinc/66/17/05/349661705.db2.gz HDZQKHZAESHKNI-XIRDDKMYSA-N 0 3 295.386 2.538 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000595567131 349662593 /nfs/dbraw/zinc/66/25/93/349662593.db2.gz MMGVXXCKSZXNHG-ZFWWWQNUSA-N 0 3 256.349 2.941 20 30 CFEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000414199921 529473356 /nfs/dbraw/zinc/47/33/56/529473356.db2.gz DEACEFQZTHPMID-KMUNFCNLSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@@H]1CCCN1C(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595637319 349685122 /nfs/dbraw/zinc/68/51/22/349685122.db2.gz XAEUECWYRQUXMS-CQSZACIVSA-N 0 3 299.418 2.784 20 30 CFEDHN N#CC[C@H]1CCCN(CCOCC2CCCC2)C1 ZINC000595622780 349680542 /nfs/dbraw/zinc/68/05/42/349680542.db2.gz CQZGBUZETZWMHQ-CQSZACIVSA-N 0 3 250.386 2.819 20 30 CFEDHN COC[C@H](NCCC(C)(C)C#N)c1cccc(OC)c1 ZINC000595683800 349699668 /nfs/dbraw/zinc/69/96/68/349699668.db2.gz KZFUAOQIFYSQFT-HNNXBMFYSA-N 0 3 276.380 2.912 20 30 CFEDHN C[C@@H]1COC2(CCC2)CN1CCc1ccc(C#N)cc1 ZINC000595681110 349699699 /nfs/dbraw/zinc/69/96/99/349699699.db2.gz KBICMIOMWHPSJR-CQSZACIVSA-N 0 3 270.376 2.744 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000595670322 349695619 /nfs/dbraw/zinc/69/56/19/349695619.db2.gz BKONDUNFSNMTKI-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN Cc1cc(CN(C)CC2=CCCOC2)ccc1C#N ZINC000595747954 349721734 /nfs/dbraw/zinc/72/17/34/349721734.db2.gz QSGOVNKFQGDYBE-UHFFFAOYSA-N 0 3 256.349 2.645 20 30 CFEDHN CC[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000595764489 349727019 /nfs/dbraw/zinc/72/70/19/349727019.db2.gz BYUOITMAMREFGM-AWEZNQCLSA-N 0 3 282.347 2.886 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000595766074 349727345 /nfs/dbraw/zinc/72/73/45/349727345.db2.gz RKJSGDPVGDZDMX-CYBMUJFWSA-N 0 3 291.782 2.928 20 30 CFEDHN N#CCCOCCN1CC2CC1(c1ccccc1)C2 ZINC000595909960 349766675 /nfs/dbraw/zinc/76/66/75/349766675.db2.gz VRWGVLXPHVGQAX-UHFFFAOYSA-N 0 3 256.349 2.538 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595832946 349747251 /nfs/dbraw/zinc/74/72/51/349747251.db2.gz KNQOPILEKZFKMK-GDBMZVCRSA-N 0 3 291.439 2.507 20 30 CFEDHN CC(C)CC1(NCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000595833025 349747262 /nfs/dbraw/zinc/74/72/62/349747262.db2.gz ZEZAZHGIHPURRS-UHFFFAOYSA-N 0 3 271.364 2.665 20 30 CFEDHN CC(C)NC(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000595852259 349755285 /nfs/dbraw/zinc/75/52/85/349755285.db2.gz YSMYHLDFXRRBOP-WMLDXEAASA-N 0 3 299.418 2.856 20 30 CFEDHN CC1(C)C[C@@]1(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000595995092 349774910 /nfs/dbraw/zinc/77/49/10/349774910.db2.gz MSJZAYWYXJVTPW-MAUKXSAKSA-N 0 3 299.418 2.839 20 30 CFEDHN C[C@@H](C(=O)NCC1(C#N)CCCCC1)[C@H](N)c1ccccc1 ZINC000595942679 349771843 /nfs/dbraw/zinc/77/18/43/349771843.db2.gz GJUYLWTVLZFWGH-ZBFHGGJFSA-N 0 3 299.418 2.913 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000595946564 349772119 /nfs/dbraw/zinc/77/21/19/349772119.db2.gz FPUUQYSXCLOMKZ-HOTGVXAUSA-N 0 3 291.439 2.826 20 30 CFEDHN C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](N)CCCC#N ZINC000595958814 349772303 /nfs/dbraw/zinc/77/23/03/349772303.db2.gz JDLBRIXFVUPZJS-AEFFLSMTSA-N 0 3 299.418 2.631 20 30 CFEDHN N#Cc1nc(N2CCC[C@H](N3CCCC3)C2)sc1Cl ZINC000596082785 349789760 /nfs/dbraw/zinc/78/97/60/349789760.db2.gz MWQRMEDBHHQHOK-JTQLQIEISA-N 0 3 296.827 2.733 20 30 CFEDHN Cc1ccc(C#N)nc1NCCN(C)Cc1ccccc1 ZINC000596088289 349791253 /nfs/dbraw/zinc/79/12/53/349791253.db2.gz JXMXXSDZNZATGV-UHFFFAOYSA-N 0 3 280.375 2.806 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596160217 349812583 /nfs/dbraw/zinc/81/25/83/349812583.db2.gz BDIIMIDZUXXGPP-XVKPBYJWSA-N 0 3 282.800 2.563 20 30 CFEDHN C#CCCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295021365 199304744 /nfs/dbraw/zinc/30/47/44/199304744.db2.gz KQZUMECTZDTHKI-HUUCEWRRSA-N 0 3 297.345 2.583 20 30 CFEDHN CCc1nccn1[C@H]1CCCN(C([O-])=[NH+]CC2(C)CC2)C1 ZINC000330113329 529760958 /nfs/dbraw/zinc/76/09/58/529760958.db2.gz SDWXUKCAFAYASG-ZDUSSCGKSA-N 0 3 290.411 2.797 20 30 CFEDHN C=CCOc1cccc(CN(C)C[C@H]2CCCO2)c1 ZINC000128026653 187346585 /nfs/dbraw/zinc/34/65/85/187346585.db2.gz BUMCMCIXUIDHDZ-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000596309204 349859107 /nfs/dbraw/zinc/85/91/07/349859107.db2.gz PRSZQCVYZKQHKQ-LBPRGKRZSA-N 0 3 288.351 2.751 20 30 CFEDHN Cc1ccc(C#N)nc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000596297602 349856438 /nfs/dbraw/zinc/85/64/38/349856438.db2.gz RWYWPAMDRVNQOZ-CABCVRRESA-N 0 3 270.380 2.691 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCCS1)C(C)C ZINC000075199968 347059763 /nfs/dbraw/zinc/05/97/63/347059763.db2.gz DVQJZLQMKXISLX-CABCVRRESA-N 0 3 296.480 2.697 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231255393 781924862 /nfs/dbraw/zinc/92/48/62/781924862.db2.gz LVWSRLULPOLCHZ-PLWJUESGSA-N 0 3 264.413 2.698 20 30 CFEDHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCC(C)(C)C#N ZINC000363467341 260263663 /nfs/dbraw/zinc/26/36/63/260263663.db2.gz JHKXMPAYDYWIIX-HUUCEWRRSA-N 0 3 263.429 2.875 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)s1)C1CCCC1 ZINC000154627392 232226623 /nfs/dbraw/zinc/22/66/23/232226623.db2.gz CZIGZPNKIWWGQA-UHFFFAOYSA-N 0 3 277.437 2.926 20 30 CFEDHN CN1CCC(NC(=O)CCc2nc3ccccc3o2)CC1 ZINC000328800117 539525858 /nfs/dbraw/zinc/52/58/58/539525858.db2.gz HXXWELDHFGRAAT-UHFFFAOYSA-N 0 3 287.363 2.811 20 30 CFEDHN CC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000030142701 346285433 /nfs/dbraw/zinc/28/54/33/346285433.db2.gz MYOXVOJCFPZHAI-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000030142700 346285635 /nfs/dbraw/zinc/28/56/35/346285635.db2.gz MYOXVOJCFPZHAI-LSDHHAIUSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnc3cnccn23)C1 ZINC000668493479 539535029 /nfs/dbraw/zinc/53/50/29/539535029.db2.gz OAQSEBOZPOMCDI-CYBMUJFWSA-N 0 3 256.353 2.517 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000668494255 539535296 /nfs/dbraw/zinc/53/52/96/539535296.db2.gz XECAGKZETFBPQE-CYBMUJFWSA-N 0 3 286.375 2.806 20 30 CFEDHN CCOC1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000040689438 346347742 /nfs/dbraw/zinc/34/77/42/346347742.db2.gz ZVFNFXCUFKOGRT-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccsc2)nc(C)n1 ZINC000041562902 346352771 /nfs/dbraw/zinc/35/27/71/346352771.db2.gz CPEMPQPOCUWVAO-LLVKDONJSA-N 0 3 257.318 2.645 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC(F)(F)F)C(C)C ZINC000042393571 346364951 /nfs/dbraw/zinc/36/49/51/346364951.db2.gz RIEJUUFHZFMWSP-LBPRGKRZSA-N 0 3 292.345 2.754 20 30 CFEDHN N#Cc1cccnc1NCCCN1CCc2ccccc2C1 ZINC000046479007 346427124 /nfs/dbraw/zinc/42/71/24/346427124.db2.gz XFNDPNFJDBOEDD-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000047405015 346449974 /nfs/dbraw/zinc/44/99/74/346449974.db2.gz NQXCFHNYTAIGEQ-GFCCVEGCSA-N 0 3 288.351 2.610 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C1CC1)C1CCCCC1 ZINC000047904048 346460132 /nfs/dbraw/zinc/46/01/32/346460132.db2.gz MAVDLYGHXOCTEJ-QGZVFWFLSA-N 0 3 291.439 2.838 20 30 CFEDHN CCC[C@@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000048070749 346465915 /nfs/dbraw/zinc/46/59/15/346465915.db2.gz MIZKYVLBKRWFSL-CQSZACIVSA-N 0 3 279.428 2.792 20 30 CFEDHN CC(C)CCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049237413 346481814 /nfs/dbraw/zinc/48/18/14/346481814.db2.gz GPTITQWJOCHTGO-AWEZNQCLSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(CC#N)c2)nc(C)n1 ZINC000049407991 346483003 /nfs/dbraw/zinc/48/30/03/346483003.db2.gz UKUHWSLKOBVZJI-OAHLLOKOSA-N 0 3 290.326 2.650 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000051401227 346503337 /nfs/dbraw/zinc/50/33/37/346503337.db2.gz ZMTKXQZLBXWRTD-UHFFFAOYSA-N 0 3 291.354 2.941 20 30 CFEDHN C=C(C)CN(CC)CCOc1ccccc1[N+](=O)[O-] ZINC000051559979 346504882 /nfs/dbraw/zinc/50/48/82/346504882.db2.gz UDFVMNGIKHWNLP-UHFFFAOYSA-N 0 3 264.325 2.872 20 30 CFEDHN C[C@@H](CNC(=O)c1sccc1C#N)N1CCCC[C@@H]1C ZINC000052030921 346510694 /nfs/dbraw/zinc/51/06/94/346510694.db2.gz YUPZAKLBEBTKQL-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN CC(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000050509367 346495818 /nfs/dbraw/zinc/49/58/18/346495818.db2.gz XGTQXEFBRNQIDB-MSOLQXFVSA-N 0 3 299.418 2.782 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)c1cc(F)ccc1F ZINC000051092549 346499835 /nfs/dbraw/zinc/49/98/35/346499835.db2.gz SFNSGSLAHSRBGP-CQSZACIVSA-N 0 3 255.308 2.896 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)c1c(F)cccc1F ZINC000051092538 346500159 /nfs/dbraw/zinc/50/01/59/346500159.db2.gz QUJWGCSJEOKILU-CYBMUJFWSA-N 0 3 255.308 2.896 20 30 CFEDHN Cc1nc(CN)ccc1[C@H](C)NCC1(C#N)CCCCC1 ZINC000596653270 349969268 /nfs/dbraw/zinc/96/92/68/349969268.db2.gz UWSMUFQAVMXURN-ZDUSSCGKSA-N 0 3 286.423 2.973 20 30 CFEDHN CCOc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OC ZINC000823364533 781926709 /nfs/dbraw/zinc/92/67/09/781926709.db2.gz JLGBWZHYQFTKLY-BZPKPHBRSA-N 0 3 299.330 2.526 20 30 CFEDHN N#CC1(CC(=O)NC2CCN(C3CC3)CC2)CCCCC1 ZINC000596698008 349974518 /nfs/dbraw/zinc/97/45/18/349974518.db2.gz LHEMRLCPTTVPSS-UHFFFAOYSA-N 0 3 289.423 2.594 20 30 CFEDHN C=CCCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075917437 347109474 /nfs/dbraw/zinc/10/94/74/347109474.db2.gz WAUFKHMJYVZPEH-UHFFFAOYSA-N 0 3 286.375 2.968 20 30 CFEDHN C=CCN1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC000075925968 347109765 /nfs/dbraw/zinc/10/97/65/347109765.db2.gz ZNHOFDXIFNTXTI-LBPRGKRZSA-N 0 3 292.345 2.685 20 30 CFEDHN CCN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCOC1 ZINC000076719815 347150420 /nfs/dbraw/zinc/15/04/20/347150420.db2.gz ZCTCOPMSDHNXNZ-AWEZNQCLSA-N 0 3 283.375 2.669 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCCc1ccccc1 ZINC000076736253 347151293 /nfs/dbraw/zinc/15/12/93/347151293.db2.gz FUCDETHFDUHMEF-UHFFFAOYSA-N 0 3 274.408 2.633 20 30 CFEDHN C=CCN(CCc1cnn(C)c1)Cc1cccc(C#N)c1 ZINC000077272238 347182873 /nfs/dbraw/zinc/18/28/73/347182873.db2.gz VGILPAUUSBTTLK-UHFFFAOYSA-N 0 3 280.375 2.522 20 30 CFEDHN COCC#CCN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000677133408 539556464 /nfs/dbraw/zinc/55/64/64/539556464.db2.gz USWJDTUFTANVDQ-CVEARBPZSA-N 0 3 257.377 2.823 20 30 CFEDHN C=CCN(CC=C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000078322929 347241070 /nfs/dbraw/zinc/24/10/70/347241070.db2.gz CRQIWZSWFVZGPG-UHFFFAOYSA-N 0 3 287.407 2.632 20 30 CFEDHN COc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079826740 347328614 /nfs/dbraw/zinc/32/86/14/347328614.db2.gz AWCFQVYBWQHDNX-SSDOTTSWSA-N 0 3 272.226 2.704 20 30 CFEDHN CO[C@]1(C)C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000090117593 347544004 /nfs/dbraw/zinc/54/40/04/347544004.db2.gz WBBSLPYOMKOCIY-GOEBONIOSA-N 0 3 276.355 2.991 20 30 CFEDHN CN(CCNc1cc(C#N)nc2ccccc21)C1CC1 ZINC000091459685 347588466 /nfs/dbraw/zinc/58/84/66/347588466.db2.gz GLEDOGXCDMGHSD-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000091506668 347590979 /nfs/dbraw/zinc/59/09/79/347590979.db2.gz BCYYCSAROGYOSM-HNNXBMFYSA-N 0 3 284.407 2.820 20 30 CFEDHN C[C@@H](CNc1snc(Cl)c1C#N)CN1CCCC1 ZINC000092612786 347635222 /nfs/dbraw/zinc/63/52/22/347635222.db2.gz VEHBMCCNTPALAV-VIFPVBQESA-N 0 3 284.816 2.812 20 30 CFEDHN C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)[C@@H]1C ZINC000092737232 347643356 /nfs/dbraw/zinc/64/33/56/347643356.db2.gz SMLUXZSFVOEKJM-CHWSQXEVSA-N 0 3 268.364 2.826 20 30 CFEDHN C#CCCOc1ccc(CN2CCC([C@H](C)O)CC2)cc1 ZINC000092970266 347656523 /nfs/dbraw/zinc/65/65/23/347656523.db2.gz SLEGVGVEYQCPFP-HNNXBMFYSA-N 0 3 287.403 2.682 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000092072895 347609397 /nfs/dbraw/zinc/60/93/97/347609397.db2.gz RBBPVLZOFUPRAF-INIZCTEOSA-N 0 3 295.386 2.801 20 30 CFEDHN C[C@@H](CNc1cnccc1C#N)N(C)Cc1ccccc1 ZINC000094157768 347693581 /nfs/dbraw/zinc/69/35/81/347693581.db2.gz ISBHZVFXOARIDA-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1O ZINC000093333052 347670457 /nfs/dbraw/zinc/67/04/57/347670457.db2.gz JYRGBHOVNWTAFY-BBRMVZONSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000121050428 347809982 /nfs/dbraw/zinc/80/99/82/347809982.db2.gz GGHDKNPYVAPCQE-UHFFFAOYSA-N 0 3 294.826 2.897 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121277244 347811470 /nfs/dbraw/zinc/81/14/70/347811470.db2.gz LPDJFZJXIQTTIE-LBPRGKRZSA-N 0 3 272.377 2.722 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000143808299 347938903 /nfs/dbraw/zinc/93/89/03/347938903.db2.gz KBQYGHWEOARPFT-UHFFFAOYSA-N 0 3 264.394 2.518 20 30 CFEDHN C=CCN(CCCCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000171146326 348070371 /nfs/dbraw/zinc/07/03/71/348070371.db2.gz QSEJBQAHGWSKJS-UHFFFAOYSA-N 0 3 278.352 2.745 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)C[C@@H]1CCCCO1 ZINC000165453005 348039006 /nfs/dbraw/zinc/03/90/06/348039006.db2.gz GOWGDNVULZSRAX-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CCOC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165447534 348039148 /nfs/dbraw/zinc/03/91/48/348039148.db2.gz XUCFDBZBZRNCLH-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CCc2c(cccc2OC)C1 ZINC000190526320 348135459 /nfs/dbraw/zinc/13/54/59/348135459.db2.gz KYFBTTJDFWWRIJ-ZIAGYGMSSA-N 0 3 258.365 2.834 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1C#N ZINC000273340528 192119201 /nfs/dbraw/zinc/11/92/01/192119201.db2.gz NQDAVLHMBDPBEG-MWLCHTKSSA-N 0 3 290.798 2.952 20 30 CFEDHN C[C@@H]1[C@H](C)SCCN1Cc1ccc(OCC#N)cc1 ZINC000265544459 348321107 /nfs/dbraw/zinc/32/11/07/348321107.db2.gz RUJQEKQWCJBOIK-OLZOCXBDSA-N 0 3 276.405 2.915 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CN(C3CC3)C[C@@H]2C)c1C#N ZINC000273343975 192120590 /nfs/dbraw/zinc/12/05/90/192120590.db2.gz OGJUCGCQIXQJEG-XPTSAGLGSA-N 0 3 290.798 2.810 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000303667655 348375582 /nfs/dbraw/zinc/37/55/82/348375582.db2.gz XXJWARCIJQDAET-MRXNPFEDSA-N 0 3 278.440 2.945 20 30 CFEDHN COC[C@@H](NCCOCCC#N)c1cccc(Cl)c1 ZINC000293567617 348362820 /nfs/dbraw/zinc/36/28/20/348362820.db2.gz MSWGUBSAXMADGM-CQSZACIVSA-N 0 3 282.771 2.547 20 30 CFEDHN COc1ccc(CN2CCC(SC)CC2)cc1C#N ZINC000311334926 348412361 /nfs/dbraw/zinc/41/23/61/348412361.db2.gz KEIOVCXPZCIRSD-UHFFFAOYSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@H](CNc1ncc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000413054893 233011722 /nfs/dbraw/zinc/01/17/22/233011722.db2.gz PIFAQMDGPWGGOO-NWDGAFQWSA-N 0 3 276.359 2.767 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000320250262 348435784 /nfs/dbraw/zinc/43/57/84/348435784.db2.gz AZUGPBLMKVAVIC-GFCCVEGCSA-N 0 3 274.364 2.626 20 30 CFEDHN N#Cc1ccccc1CN1CCNC[C@H]1c1ccccc1 ZINC000313325255 348422809 /nfs/dbraw/zinc/42/28/09/348422809.db2.gz NUCQFCRKHMQPEY-SFHVURJKSA-N 0 3 277.371 2.705 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000357824787 348505153 /nfs/dbraw/zinc/50/51/53/348505153.db2.gz KKGRJNOGJHNKMT-ZDUSSCGKSA-N 0 3 256.349 2.774 20 30 CFEDHN Cc1csc(CN[C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)n1 ZINC000372921987 348519364 /nfs/dbraw/zinc/51/93/64/348519364.db2.gz AFNYWSBEFKLBCP-SYQHCUMBSA-N 0 3 291.420 2.781 20 30 CFEDHN C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CCN1C ZINC000413156713 233025901 /nfs/dbraw/zinc/02/59/01/233025901.db2.gz GAGHZKRRVCMQED-MWLCHTKSSA-N 0 3 298.312 2.867 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379708876 348522209 /nfs/dbraw/zinc/52/22/09/348522209.db2.gz GZYKWUWABUHRMK-DLBZAZTESA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@@H]1SCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000404031013 348589491 /nfs/dbraw/zinc/58/94/91/348589491.db2.gz XAWACLDNCRCKLW-ZANVPECISA-N 0 3 250.342 2.681 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398141733 348566822 /nfs/dbraw/zinc/56/68/22/348566822.db2.gz AORFWMJAOOMBAV-OIISXLGYSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCOCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000559143407 348657071 /nfs/dbraw/zinc/65/70/71/348657071.db2.gz WZVYNVUYSZKSAC-INIZCTEOSA-N 0 3 260.381 2.766 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2cnccc2C#N)CC1 ZINC000563768071 348660417 /nfs/dbraw/zinc/66/04/17/348660417.db2.gz XBCJYVBQCGWJSG-HNNXBMFYSA-N 0 3 284.407 2.820 20 30 CFEDHN CCCCCCCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000584650074 348701941 /nfs/dbraw/zinc/70/19/41/348701941.db2.gz SJDMPLAFXXSRLA-AWEZNQCLSA-N 0 3 269.433 2.692 20 30 CFEDHN N#CCCCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000588343375 348784537 /nfs/dbraw/zinc/78/45/37/348784537.db2.gz WUKBGVSIDQOTJO-MRXNPFEDSA-N 0 3 291.439 2.937 20 30 CFEDHN CC[C@@](C)(C#N)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000589136901 348813433 /nfs/dbraw/zinc/81/34/33/348813433.db2.gz NUILYMAKDLHBFV-YEWTVFCHSA-N 0 3 274.368 2.601 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)CC2CC2)c(C(F)(F)F)c1 ZINC000589508250 348837038 /nfs/dbraw/zinc/83/70/38/348837038.db2.gz CMVCVZOJVNZNHD-ZDUSSCGKSA-N 0 3 298.308 2.828 20 30 CFEDHN CC(C)C[C@@H](C)CN1CCN(c2cnccc2C#N)CC1 ZINC000590013570 348869896 /nfs/dbraw/zinc/86/98/96/348869896.db2.gz CKXYNSTVHXKEIM-OAHLLOKOSA-N 0 3 286.423 2.757 20 30 CFEDHN C=CCN(CCC#N)Cc1ccc(OCCN(C)C)cc1 ZINC000590050753 348871725 /nfs/dbraw/zinc/87/17/25/348871725.db2.gz ZXPWYNHCKRHDGQ-UHFFFAOYSA-N 0 3 287.407 2.529 20 30 CFEDHN CN(Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000590162974 348880807 /nfs/dbraw/zinc/88/08/07/348880807.db2.gz IRTUNQOHEKWERL-RHSMWYFYSA-N 0 3 297.402 2.703 20 30 CFEDHN C[C@@H](CN1CCN(CCC#N)CC1)C1CCCCC1 ZINC000590168878 348881822 /nfs/dbraw/zinc/88/18/22/348881822.db2.gz UWFSQWULKDUOJW-HNNXBMFYSA-N 0 3 263.429 2.734 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H]1CCO[C@H](C2CC2)C1 ZINC000590594431 348912345 /nfs/dbraw/zinc/91/23/45/348912345.db2.gz DQOXNFFLSOHVTF-BBRMVZONSA-N 0 3 274.339 2.745 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CC2(CC2)C1)C(C)C ZINC000668683443 539693779 /nfs/dbraw/zinc/69/37/79/539693779.db2.gz WFFNGTJNUWFJEL-MRXNPFEDSA-N 0 3 290.451 2.991 20 30 CFEDHN CC1(C)COC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000590780039 348948764 /nfs/dbraw/zinc/94/87/64/348948764.db2.gz ZDPSTBLTEXNXNU-HOTGVXAUSA-N 0 3 270.376 2.950 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CC(F)(F)F)cc1Cl ZINC000591765928 349042908 /nfs/dbraw/zinc/04/29/08/349042908.db2.gz RWBHBBZJYSAKKS-SNVBAGLBSA-N 0 3 292.688 2.615 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@@H](C4CCC4)C3)n2c1 ZINC000591267792 349005333 /nfs/dbraw/zinc/00/53/33/349005333.db2.gz VBHJUVHPTCNCLF-OAHLLOKOSA-N 0 3 280.375 2.828 20 30 CFEDHN CC(C)CCN(CCC#N)C(=O)Nc1cccc(CN)c1 ZINC000591309959 349006802 /nfs/dbraw/zinc/00/68/02/349006802.db2.gz UPOPPAMIDBJZRZ-UHFFFAOYSA-N 0 3 288.395 2.939 20 30 CFEDHN CNCc1cccc(NC(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000591310709 349007126 /nfs/dbraw/zinc/00/71/26/349007126.db2.gz DMIXMOBZUMQCFQ-MRXNPFEDSA-N 0 3 286.379 2.564 20 30 CFEDHN C[C@@H]1CN(Cc2ccncc2C#N)[C@@H]2CCCC[C@H]21 ZINC000592101949 349083487 /nfs/dbraw/zinc/08/34/87/349083487.db2.gz VCNOQGSMGJYNBD-UHOFOFEASA-N 0 3 255.365 2.964 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CC[C@H](Oc3ccccc3)C2)C1 ZINC000592136412 349089139 /nfs/dbraw/zinc/08/91/39/349089139.db2.gz SXEWHFXOEXBJKU-LZWOXQAQSA-N 0 3 256.349 2.832 20 30 CFEDHN C[C@H](CCSc1ccccc1)N1CC[C@@](O)(CC#N)C1 ZINC000592151474 349091844 /nfs/dbraw/zinc/09/18/44/349091844.db2.gz MGRPSHYCUWPDQO-ZBFHGGJFSA-N 0 3 290.432 2.908 20 30 CFEDHN CC(C)Cc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592152152 349092751 /nfs/dbraw/zinc/09/27/51/349092751.db2.gz VBIBKHSXSMOKRC-KRWDZBQOSA-N 0 3 272.392 2.736 20 30 CFEDHN Cc1ccc(C2(NC(=O)[C@H](N)CCCC#N)CCC2)cc1 ZINC000592345528 349106182 /nfs/dbraw/zinc/10/61/82/349106182.db2.gz HCCQELIALLZNGN-OAHLLOKOSA-N 0 3 285.391 2.512 20 30 CFEDHN CC[C@H](C)C[C@H](CO)NCc1cc(C#N)cs1 ZINC000592375104 349111084 /nfs/dbraw/zinc/11/10/84/349111084.db2.gz QRKWESQBLRPIEC-CMPLNLGQSA-N 0 3 252.383 2.506 20 30 CFEDHN CC[C@H](C)C[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000592374381 349111328 /nfs/dbraw/zinc/11/13/28/349111328.db2.gz CZGLKEVGADDUJS-SMDDNHRTSA-N 0 3 264.344 2.584 20 30 CFEDHN CCCC[C@@](C)(CO)NCc1cc(C#N)cs1 ZINC000592374152 349111444 /nfs/dbraw/zinc/11/14/44/349111444.db2.gz GHHNSHTXGVKORA-ZDUSSCGKSA-N 0 3 252.383 2.651 20 30 CFEDHN CCCC[C@](C)(CO)NCc1ccc(C#N)c(OC)c1 ZINC000592375574 349111784 /nfs/dbraw/zinc/11/17/84/349111784.db2.gz YBVCGZSGODLYOC-MRXNPFEDSA-N 0 3 276.380 2.598 20 30 CFEDHN Cc1n[nH]cc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000592391456 349113447 /nfs/dbraw/zinc/11/34/47/349113447.db2.gz SPSYPEARQDCIII-NSHDSACASA-N 0 3 254.337 2.635 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc2n(n1)CCCC2 ZINC000592389814 349113771 /nfs/dbraw/zinc/11/37/71/349113771.db2.gz SOGJQAXYZKAZMW-RDBSUJKOSA-N 0 3 272.396 2.952 20 30 CFEDHN COc1ccc(CN2CC[C@](O)(CC#N)C2)c2ccccc12 ZINC000592523703 349133611 /nfs/dbraw/zinc/13/36/11/349133611.db2.gz RFXFBBOBFOGYHK-GOSISDBHSA-N 0 3 296.370 2.699 20 30 CFEDHN CC[C@@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592523316 349133736 /nfs/dbraw/zinc/13/37/36/349133736.db2.gz YFBVOFRYQZEZFA-HOCLYGCPSA-N 0 3 258.365 2.531 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(C)cc32)CC1 ZINC000592526805 349135916 /nfs/dbraw/zinc/13/59/16/349135916.db2.gz BANPAFUBTXZBPM-UHFFFAOYSA-N 0 3 299.418 2.718 20 30 CFEDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000592568679 349138565 /nfs/dbraw/zinc/13/85/65/349138565.db2.gz UPEIRBCROGITMV-RBSFLKMASA-N 0 3 291.439 2.682 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000593024971 349190005 /nfs/dbraw/zinc/19/00/05/349190005.db2.gz MHAUZIFILIOXPG-GXTWGEPZSA-N 0 3 271.320 2.841 20 30 CFEDHN CN(CCN1CCCCC1)Cc1ccc(C#N)cc1F ZINC000593112367 349210848 /nfs/dbraw/zinc/21/08/48/349210848.db2.gz GURVSBINPWUIFT-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN CN(CCN1CCCCC1)Cc1cn2ccccc2c1C#N ZINC000593113246 349211191 /nfs/dbraw/zinc/21/11/91/349211191.db2.gz XBSTVVVHJCVSKU-UHFFFAOYSA-N 0 3 296.418 2.729 20 30 CFEDHN C[C@@H]1CN(CCOCCC#N)CCc2ccc(F)cc21 ZINC000593119218 349214059 /nfs/dbraw/zinc/21/40/59/349214059.db2.gz YUXNIYUXJGVMEW-CYBMUJFWSA-N 0 3 276.355 2.718 20 30 CFEDHN N#CCc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593118289 349214713 /nfs/dbraw/zinc/21/47/13/349214713.db2.gz PMLABGZDXKRMMQ-CQSZACIVSA-N 0 3 262.303 2.984 20 30 CFEDHN COc1ccc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)nc1 ZINC000593041459 349192712 /nfs/dbraw/zinc/19/27/12/349192712.db2.gz PNPJMVGQLRBGJG-UKRRQHHQSA-N 0 3 285.391 2.962 20 30 CFEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)C2(CCC2)CO1 ZINC000593091656 349206913 /nfs/dbraw/zinc/20/69/13/349206913.db2.gz JKWUHPMONYSNGF-HNNXBMFYSA-N 0 3 292.423 2.730 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000593616546 349299732 /nfs/dbraw/zinc/29/97/32/349299732.db2.gz NSVISZKJACEVHL-DOTOQJQBSA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@@H](C#N)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000593447997 349272758 /nfs/dbraw/zinc/27/27/58/349272758.db2.gz KRZFRYRMCCHFMT-RDJZCZTQSA-N 0 3 299.418 2.880 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000593475368 349278093 /nfs/dbraw/zinc/27/80/93/349278093.db2.gz QIZQNGKWQZPKIP-CABCVRRESA-N 0 3 299.418 2.878 20 30 CFEDHN N#Cc1ccc(C2(NC[C@@H]3CCCO3)CCC2)cc1 ZINC000594032384 349357268 /nfs/dbraw/zinc/35/72/68/349357268.db2.gz GDODHZJRLQFJFJ-HNNXBMFYSA-N 0 3 256.349 2.706 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1CC=CC1 ZINC000593854755 349331521 /nfs/dbraw/zinc/33/15/21/349331521.db2.gz DCNFOBIXHJVOKG-CQSZACIVSA-N 0 3 254.333 2.594 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC3(CCC3)C2)cc1 ZINC000593880980 349332154 /nfs/dbraw/zinc/33/21/54/349332154.db2.gz CQQOVQKMOUCTGT-OAHLLOKOSA-N 0 3 293.370 2.689 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CCN(C2CCC2)C1 ZINC000593992571 349347758 /nfs/dbraw/zinc/34/77/58/349347758.db2.gz UQXVYLCLVBCXPT-CYBMUJFWSA-N 0 3 289.448 2.926 20 30 CFEDHN Cn1cc([C@@H]2CN([C@@H]3CC[C@@H](C#N)C3)CC2(C)C)cn1 ZINC000593998776 349349304 /nfs/dbraw/zinc/34/93/04/349349304.db2.gz YOSYKLQOKAFNJC-YUELXQCFSA-N 0 3 272.396 2.538 20 30 CFEDHN CCC(C#N)C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C ZINC000593744508 349318946 /nfs/dbraw/zinc/31/89/46/349318946.db2.gz DZQBMURUUNPOMX-GFCCVEGCSA-N 0 3 296.411 2.800 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)CCCCC#N)C1 ZINC000594302386 349405734 /nfs/dbraw/zinc/40/57/34/349405734.db2.gz HOKHKJBZIMAUNB-KRWDZBQOSA-N 0 3 299.418 2.803 20 30 CFEDHN CCOC(=O)CCN(Cc1ccc(C#N)c(F)c1)C(C)C ZINC000594050184 349364113 /nfs/dbraw/zinc/36/41/13/349364113.db2.gz BZXJAHVSDXFPSO-UHFFFAOYSA-N 0 3 292.354 2.861 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1CC1CCCC1 ZINC000594052920 349365257 /nfs/dbraw/zinc/36/52/57/349365257.db2.gz JHRZWOBAPPXVAV-MRXNPFEDSA-N 0 3 291.439 2.793 20 30 CFEDHN CCOC(=O)CCN(CC#Cc1ccc(F)cc1)C(C)C ZINC000594055258 349365871 /nfs/dbraw/zinc/36/58/71/349365871.db2.gz YGISFSOZMQBSCO-UHFFFAOYSA-N 0 3 291.366 2.841 20 30 CFEDHN N#Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594059046 349367011 /nfs/dbraw/zinc/36/70/11/349367011.db2.gz ONDFKIQSEYBMPH-HOTGVXAUSA-N 0 3 298.390 2.697 20 30 CFEDHN CN1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000594333150 349408287 /nfs/dbraw/zinc/40/82/87/349408287.db2.gz WFKCZXQSZPMUEB-RDJZCZTQSA-N 0 3 285.391 2.632 20 30 CFEDHN CCc1cccc2c1N(C(=O)[C@@H](N)CCCCC#N)CC2 ZINC000594439312 349422462 /nfs/dbraw/zinc/42/24/62/349422462.db2.gz PVXUVDIATJAWBS-HNNXBMFYSA-N 0 3 285.391 2.549 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC000594439910 349422466 /nfs/dbraw/zinc/42/24/66/349422466.db2.gz SJMDSVNWMZGUMJ-LBPRGKRZSA-N 0 3 281.306 2.974 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCc2ccc(Cl)cc21 ZINC000594440821 349422503 /nfs/dbraw/zinc/42/25/03/349422503.db2.gz ZZBHOQPGQJXSDX-ZDUSSCGKSA-N 0 3 291.782 2.640 20 30 CFEDHN CCC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594438701 349422542 /nfs/dbraw/zinc/42/25/42/349422542.db2.gz VTFRUKFNUFGCLO-KGLIPLIRSA-N 0 3 265.401 2.579 20 30 CFEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594437310 349422988 /nfs/dbraw/zinc/42/29/88/349422988.db2.gz LFQVXLWQSWBNQN-HOCLYGCPSA-N 0 3 287.407 2.660 20 30 CFEDHN Cc1ccc(C[C@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594445021 349423438 /nfs/dbraw/zinc/42/34/38/349423438.db2.gz NUNJIADPBPJJFO-SMDDNHRTSA-N 0 3 293.436 2.515 20 30 CFEDHN CC(C)CC1(CNC(=O)[C@@H](N)CCCCC#N)CCC1 ZINC000594444004 349423491 /nfs/dbraw/zinc/42/34/91/349423491.db2.gz JAWGGYNQQLDEMK-AWEZNQCLSA-N 0 3 279.428 2.730 20 30 CFEDHN Cc1ccc(F)c(CN(C)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594444941 349423744 /nfs/dbraw/zinc/42/37/44/349423744.db2.gz GHXRYMITMQYOKM-HNNXBMFYSA-N 0 3 291.370 2.504 20 30 CFEDHN Cc1cccc(C(C)(C)NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594444439 349423818 /nfs/dbraw/zinc/42/38/18/349423818.db2.gz MAHHGJXYMMXTQP-HNNXBMFYSA-N 0 3 287.407 2.758 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594442400 349423854 /nfs/dbraw/zinc/42/38/54/349423854.db2.gz FIGIHNIYZDLUEE-RRFJBIMHSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2ccsc2s1 ZINC000594446145 349424692 /nfs/dbraw/zinc/42/46/92/349424692.db2.gz QVGXSPZHUVGQDC-MRVPVSSYSA-N 0 3 294.405 2.708 20 30 CFEDHN Cc1c(CNC(=O)[C@@H](N)CCCCC#N)oc2ccccc12 ZINC000594445100 349424877 /nfs/dbraw/zinc/42/48/77/349424877.db2.gz PCQLQMVPPZIXOQ-AWEZNQCLSA-N 0 3 299.374 2.769 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2ncccc21 ZINC000594446471 349424978 /nfs/dbraw/zinc/42/49/78/349424978.db2.gz UFYYNSLTSJDQFD-ZDUSSCGKSA-N 0 3 282.347 2.585 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000594449077 349425627 /nfs/dbraw/zinc/42/56/27/349425627.db2.gz DURNBGCZJGMXCB-HOTGVXAUSA-N 0 3 291.439 2.873 20 30 CFEDHN COCC1(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594497022 349431376 /nfs/dbraw/zinc/43/13/76/349431376.db2.gz ATUWOCWURQXLAH-UHFFFAOYSA-N 0 3 258.365 2.756 20 30 CFEDHN N#CC1(c2ccc(CN3CCN(CC4CC4)CC3)cc2)CC1 ZINC000596984924 350012600 /nfs/dbraw/zinc/01/26/00/350012600.db2.gz ITILPPWNQKHKHV-UHFFFAOYSA-N 0 3 295.430 2.769 20 30 CFEDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012203 350016384 /nfs/dbraw/zinc/01/63/84/350016384.db2.gz PJEJPXQFQVCMGH-INIZCTEOSA-N 0 3 298.386 2.769 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(C)cc1 ZINC000594425150 349416840 /nfs/dbraw/zinc/41/68/40/349416840.db2.gz GBHAOADSTIHQOA-JKSUJKDBSA-N 0 3 287.407 2.974 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000594425181 349416955 /nfs/dbraw/zinc/41/69/55/349416955.db2.gz GDSPTOUIYIFCIL-OLZOCXBDSA-N 0 3 291.420 2.823 20 30 CFEDHN C[C@@H](c1ccccc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594425259 349417073 /nfs/dbraw/zinc/41/70/73/349417073.db2.gz GWGFRJORWSTQEC-ZFWWWQNUSA-N 0 3 273.380 2.617 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1F ZINC000594424418 349417325 /nfs/dbraw/zinc/41/73/25/349417325.db2.gz DGQVUBIRIQBNQQ-NSHDSACASA-N 0 3 283.734 2.829 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000594425990 349417592 /nfs/dbraw/zinc/41/75/92/349417592.db2.gz BUKRYWFVZJTEQU-FPCVCCKLSA-N 0 3 291.439 2.873 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000594425997 349417953 /nfs/dbraw/zinc/41/79/53/349417953.db2.gz BUKRYWFVZJTEQU-QXSJWSMHSA-N 0 3 291.439 2.873 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000594429581 349419663 /nfs/dbraw/zinc/41/96/63/349419663.db2.gz RQPBGXHRVRUYHT-INIZCTEOSA-N 0 3 285.391 2.589 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000594428757 349419704 /nfs/dbraw/zinc/41/97/04/349419704.db2.gz NYERUFNLXKCZCZ-CVEARBPZSA-N 0 3 291.439 2.969 20 30 CFEDHN CC(C)C[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594432673 349420533 /nfs/dbraw/zinc/42/05/33/349420533.db2.gz FXGYDJQKDQVRHY-HUUCEWRRSA-N 0 3 279.428 2.682 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000594432664 349420560 /nfs/dbraw/zinc/42/05/60/349420560.db2.gz FWEWPORGCSUXOO-GJZGRUSLSA-N 0 3 289.354 2.510 20 30 CFEDHN CCS[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594433333 349420899 /nfs/dbraw/zinc/42/08/99/349420899.db2.gz NVNUAROKKPQBIS-BFHYXJOUSA-N 0 3 297.468 2.578 20 30 CFEDHN CCCC1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594432100 349420938 /nfs/dbraw/zinc/42/09/38/349420938.db2.gz XRUSLCVDIUWNHF-NRXISQOPSA-N 0 3 279.428 2.873 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000594432666 349420974 /nfs/dbraw/zinc/42/09/74/349420974.db2.gz FWEWPORGCSUXOO-LSDHHAIUSA-N 0 3 289.354 2.510 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594435026 349421318 /nfs/dbraw/zinc/42/13/18/349421318.db2.gz ZAIIFAMLULPTQB-INIZCTEOSA-N 0 3 291.439 2.993 20 30 CFEDHN COCC1(NCc2cnc3ccc(C#N)cn23)CCCCC1 ZINC000597255263 350073285 /nfs/dbraw/zinc/07/32/85/350073285.db2.gz UYBDZBQKATTWNA-UHFFFAOYSA-N 0 3 298.390 2.645 20 30 CFEDHN N#CC1(c2ccc(CN3CCC4(CCO4)CC3)cc2)CC1 ZINC000597132293 350035487 /nfs/dbraw/zinc/03/54/87/350035487.db2.gz OGPYISNVWBQEDF-UHFFFAOYSA-N 0 3 282.387 2.997 20 30 CFEDHN N#CC1(c2ccc(CN3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000597133603 350036238 /nfs/dbraw/zinc/03/62/38/350036238.db2.gz WSVGCMUPTOTWEF-KRWDZBQOSA-N 0 3 292.386 2.885 20 30 CFEDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597152787 350040177 /nfs/dbraw/zinc/04/01/77/350040177.db2.gz DIEGFLPAWXMZNB-CZUORRHYSA-N 0 3 270.376 2.587 20 30 CFEDHN COC(=O)[C@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000597223740 350061627 /nfs/dbraw/zinc/06/16/27/350061627.db2.gz VKJYDTYNBZTXRO-OTVXOJSOSA-N 0 3 286.375 2.529 20 30 CFEDHN COc1cc(CN(C)CC2=CCSC2)ccc1C#N ZINC000597243878 350071342 /nfs/dbraw/zinc/07/13/42/350071342.db2.gz IMCHVWKQQZHKLP-UHFFFAOYSA-N 0 3 274.389 2.672 20 30 CFEDHN COC(=O)[C@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000597246857 350072077 /nfs/dbraw/zinc/07/20/77/350072077.db2.gz VKJYDTYNBZTXRO-CTYIDZIISA-N 0 3 286.375 2.529 20 30 CFEDHN C[C@H](CC#N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000597328038 350084202 /nfs/dbraw/zinc/08/42/02/350084202.db2.gz IWLNZPSXWYNHKH-NVXWUHKLSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H](CC#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000597334001 350084827 /nfs/dbraw/zinc/08/48/27/350084827.db2.gz QMKOBYLISHKZSL-CVEARBPZSA-N 0 3 299.418 2.659 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCC[C@H]2C2CC2)n1 ZINC000414490364 233270759 /nfs/dbraw/zinc/27/07/59/233270759.db2.gz XCKUBFJCRDYXPJ-YPMHNXCESA-N 0 3 261.394 2.931 20 30 CFEDHN CC(C)N(CCN1CCCCCC1)C(=O)[C@@H](C)CC#N ZINC000597652274 350120772 /nfs/dbraw/zinc/12/07/72/350120772.db2.gz QXCVSCYKCMARKH-HNNXBMFYSA-N 0 3 279.428 2.649 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]1C(F)(F)F ZINC000597665342 350122431 /nfs/dbraw/zinc/12/24/31/350122431.db2.gz MPSIRZLYALWVDI-STQMWFEESA-N 0 3 296.292 2.922 20 30 CFEDHN C[C@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000597734811 350130382 /nfs/dbraw/zinc/13/03/82/350130382.db2.gz DJWKKUWZEBOHOR-JKSUJKDBSA-N 0 3 299.418 2.517 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000597828015 350141103 /nfs/dbraw/zinc/14/11/03/350141103.db2.gz HVKXDMACMKVWFP-ULQDDVLXSA-N 0 3 293.370 2.642 20 30 CFEDHN CC(C)OCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714370 186018083 /nfs/dbraw/zinc/01/80/83/186018083.db2.gz VPCSISCEUZPRBD-UHFFFAOYSA-N 0 3 288.391 2.826 20 30 CFEDHN C[C@@H]1C[C@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000271271324 191041045 /nfs/dbraw/zinc/04/10/45/191041045.db2.gz CMVXXTGEFIUIII-DGCLKSJQSA-N 0 3 262.328 2.602 20 30 CFEDHN CN(CC1=CCCOC1)C(=O)C(C#N)CCc1ccccc1 ZINC000598198181 350211931 /nfs/dbraw/zinc/21/19/31/350211931.db2.gz XNUUEJFOYQBBJF-KRWDZBQOSA-N 0 3 298.386 2.564 20 30 CFEDHN Cc1cc([C@@H]2CCN(C(=O)C(C)C#N)C2)c(O)cc1Cl ZINC000598328833 350236294 /nfs/dbraw/zinc/23/62/94/350236294.db2.gz HSQDTKVRWTVPIQ-GHMZBOCLSA-N 0 3 292.766 2.830 20 30 CFEDHN CC12CC(C1)CN2C(=O)C(C#N)CCc1ccccc1 ZINC000598570825 350284314 /nfs/dbraw/zinc/28/43/14/350284314.db2.gz KFJVINNBXBRJKR-ISXOHVOVSA-N 0 3 268.360 2.770 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC(C)(C)CC[C@H]1CO ZINC000598648552 350302230 /nfs/dbraw/zinc/30/22/30/350302230.db2.gz PNUNVNHGRXYVEA-INIZCTEOSA-N 0 3 272.392 2.850 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@H](CO)C1 ZINC000598651826 350303325 /nfs/dbraw/zinc/30/33/25/350303325.db2.gz WGBTYRKQBYVZNM-WWGRRREGSA-N 0 3 258.365 2.570 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598718911 350317205 /nfs/dbraw/zinc/31/72/05/350317205.db2.gz HOYBHVMPOGWGAR-HNNXBMFYSA-N 0 3 288.391 2.642 20 30 CFEDHN CCSc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccn1 ZINC000598722768 350318773 /nfs/dbraw/zinc/31/87/73/350318773.db2.gz AQMIYFGOIMCOKA-ZDUSSCGKSA-N 0 3 293.436 2.584 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1COc2ccc(Cl)cc21 ZINC000598726135 350320011 /nfs/dbraw/zinc/32/00/11/350320011.db2.gz RMXOUICGPYXQGG-YPMHNXCESA-N 0 3 294.782 2.664 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000598729056 350321076 /nfs/dbraw/zinc/32/10/76/350321076.db2.gz YWIVCFJVLINEJX-CYBMUJFWSA-N 0 3 291.782 2.602 20 30 CFEDHN C[C@H]1Cc2ccccc2CN1C[C@@H](O)CC(C)(C)C#N ZINC000598592370 350288370 /nfs/dbraw/zinc/28/83/70/350288370.db2.gz KCRIDFNQCVPYNZ-BBRMVZONSA-N 0 3 272.392 2.734 20 30 CFEDHN C[C@H]1c2ccccc2OCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598594833 350289092 /nfs/dbraw/zinc/28/90/92/350289092.db2.gz DTRZSZFYAPFVHZ-KBPBESRZSA-N 0 3 288.391 2.743 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1cccnc1 ZINC000598598944 350291140 /nfs/dbraw/zinc/29/11/40/350291140.db2.gz JZAYMDAXHUJDKS-HUUCEWRRSA-N 0 3 273.380 2.519 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2cccnc2C1 ZINC000598933433 350347743 /nfs/dbraw/zinc/34/77/43/350347743.db2.gz SXQKFBDSRAAVRS-HNNXBMFYSA-N 0 3 291.354 2.696 20 30 CFEDHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000599085112 350373594 /nfs/dbraw/zinc/37/35/94/350373594.db2.gz MOKTWRLEJIXRDY-JJMVLAAESA-N 0 3 274.339 2.915 20 30 CFEDHN CC[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(C#N)cc1 ZINC000599094669 350375308 /nfs/dbraw/zinc/37/53/08/350375308.db2.gz XNIPBCNRYNLWBV-DLBZAZTESA-N 0 3 297.402 2.752 20 30 CFEDHN COC(=O)CCCCN(CCC#N)CC(C)(C)C ZINC000599298801 350408883 /nfs/dbraw/zinc/40/88/83/350408883.db2.gz ZIFJMJHMCGBNKB-UHFFFAOYSA-N 0 3 254.374 2.591 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2[C@H](C)O)cc1C#N ZINC000599298282 350409464 /nfs/dbraw/zinc/40/94/64/350409464.db2.gz XHMWTBAICFKGAS-XJKSGUPXSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n[nH]1 ZINC000599308886 350411163 /nfs/dbraw/zinc/41/11/63/350411163.db2.gz CLQUFMACEGWHNV-HNNXBMFYSA-N 0 3 295.390 2.673 20 30 CFEDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599308886 350411164 /nfs/dbraw/zinc/41/11/64/350411164.db2.gz CLQUFMACEGWHNV-HNNXBMFYSA-N 0 3 295.390 2.673 20 30 CFEDHN Cc1ccc(CN2CC[C@H](C(F)F)C2)cc1C#N ZINC000599338443 350417758 /nfs/dbraw/zinc/41/77/58/350417758.db2.gz RPVPECHDKCLREA-LBPRGKRZSA-N 0 3 250.292 2.954 20 30 CFEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599404921 350431625 /nfs/dbraw/zinc/43/16/25/350431625.db2.gz RFPGXBLNELKAKX-KRWDZBQOSA-N 0 3 299.418 2.747 20 30 CFEDHN CCC[C@]1(NCc2ccc(C)c(C#N)c2)CCOC1 ZINC000599415736 350432888 /nfs/dbraw/zinc/43/28/88/350432888.db2.gz QRGZOBAXEYXKEE-INIZCTEOSA-N 0 3 258.365 2.916 20 30 CFEDHN C=CC[C@@H]1CCN(CC[S@](=O)c2ccccc2)C1 ZINC000599526099 350450565 /nfs/dbraw/zinc/45/05/65/350450565.db2.gz DSMPLFBQVMFTAD-KDOFPFPSSA-N 0 3 263.406 2.692 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589523 350460904 /nfs/dbraw/zinc/46/09/04/350460904.db2.gz MOVMHFDGPMSJDJ-MGPQQGTHSA-N 0 3 280.412 2.978 20 30 CFEDHN COC(=O)c1ccc(CN(C)CCCC(C)(C)C#N)nc1 ZINC000599443446 350439774 /nfs/dbraw/zinc/43/97/74/350439774.db2.gz OMDLCNUGUKOCIM-UHFFFAOYSA-N 0 3 289.379 2.630 20 30 CFEDHN Cc1ccc(CN2CCC([C@H](C)CO)CC2)cc1C#N ZINC000599450554 350440708 /nfs/dbraw/zinc/44/07/08/350440708.db2.gz JRKNLLXRWIFSBP-CQSZACIVSA-N 0 3 272.392 2.707 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000599650527 350472911 /nfs/dbraw/zinc/47/29/11/350472911.db2.gz HDJYLEKAXOVHFL-BBWFWOEESA-N 0 3 298.386 2.722 20 30 CFEDHN COCC1(CN2CCc3c(CC#N)cccc3C2)CCC1 ZINC000599677306 350479952 /nfs/dbraw/zinc/47/99/52/350479952.db2.gz DXIUNGRYAMHQPK-UHFFFAOYSA-N 0 3 284.403 2.927 20 30 CFEDHN CO[C@@H](CN1CCc2c(CC#N)cccc2C1)C1CCC1 ZINC000599679134 350481105 /nfs/dbraw/zinc/48/11/05/350481105.db2.gz WKVBODAQZQXFEJ-SFHVURJKSA-N 0 3 284.403 2.926 20 30 CFEDHN N#CC[C@@]1(O)CCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000600168284 350528393 /nfs/dbraw/zinc/52/83/93/350528393.db2.gz VWVCJQLANDWNOF-CQSZACIVSA-N 0 3 298.308 2.598 20 30 CFEDHN N#CCCCOc1cccc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000600189437 350535703 /nfs/dbraw/zinc/53/57/03/350535703.db2.gz GAASLABKBQBKGB-GASCZTMLSA-N 0 3 256.349 2.821 20 30 CFEDHN C=CCN(CCc1ccccc1)Cc1c[nH]nc1C ZINC000092505720 180398629 /nfs/dbraw/zinc/39/86/29/180398629.db2.gz VECWUCUXIDRLPM-UHFFFAOYSA-N 0 3 255.365 2.949 20 30 CFEDHN CC(C)Oc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1 ZINC000600718205 350600715 /nfs/dbraw/zinc/60/07/15/350600715.db2.gz OHSNQBZDJOCKAA-OAHLLOKOSA-N 0 3 288.391 2.618 20 30 CFEDHN N#CC1(C[C@H](O)CN[C@@H]2CCCOc3ccccc32)CC1 ZINC000600722908 350601394 /nfs/dbraw/zinc/60/13/94/350601394.db2.gz KPMGKYWLBJANGB-DZGCQCFKSA-N 0 3 286.375 2.545 20 30 CFEDHN CCc1ccc([C@H]2CNCCN2Cc2ccc(C#N)o2)cc1 ZINC000600767706 350607675 /nfs/dbraw/zinc/60/76/75/350607675.db2.gz CKFHCGHSFHJLDZ-GOSISDBHSA-N 0 3 295.386 2.860 20 30 CFEDHN CCCCN(CCOC)CCOc1ccc(C#N)cc1 ZINC000109333662 186248835 /nfs/dbraw/zinc/24/88/35/186248835.db2.gz KHXARIXWHVUIHS-UHFFFAOYSA-N 0 3 276.380 2.686 20 30 CFEDHN CC(C)(C)[C@@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600976406 350640432 /nfs/dbraw/zinc/64/04/32/350640432.db2.gz SCLDJFSWAKXBDP-ZDUSSCGKSA-N 0 3 289.770 2.838 20 30 CFEDHN CCN(C(=O)[C@@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000110061202 186284062 /nfs/dbraw/zinc/28/40/62/186284062.db2.gz KKZCZZQYXLYWCL-BBRMVZONSA-N 0 3 285.391 2.562 20 30 CFEDHN C[C@@H](CNC(=O)c1ccccc1CC#N)N1CCC[C@@H](C)C1 ZINC000600998274 350643375 /nfs/dbraw/zinc/64/33/75/350643375.db2.gz UICYGVRXOOHENG-CABCVRRESA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC#N ZINC000601011892 350645523 /nfs/dbraw/zinc/64/55/23/350645523.db2.gz VPVLKNAUCUJWQV-HUUCEWRRSA-N 0 3 299.418 2.603 20 30 CFEDHN N#CCC1(CNCc2ccc(C(F)F)nc2)CC1 ZINC000601120029 350673831 /nfs/dbraw/zinc/67/38/31/350673831.db2.gz DFNHXOSQIOBBLT-UHFFFAOYSA-N 0 3 251.280 2.803 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](Nc3cnccc3C#N)C2)cc1 ZINC000601250047 350709054 /nfs/dbraw/zinc/70/90/54/350709054.db2.gz JMEXZOCTBWPRDK-QGZVFWFLSA-N 0 3 292.386 2.948 20 30 CFEDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cccc(C#N)c1 ZINC000601152159 350683005 /nfs/dbraw/zinc/68/30/05/350683005.db2.gz BGTPESWXCVRSEU-SFHVURJKSA-N 0 3 298.361 2.781 20 30 CFEDHN CC[C@H](N[C@H](C)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601301258 350720023 /nfs/dbraw/zinc/72/00/23/350720023.db2.gz WMOVXHZOMYSKSI-ICCXJUOJSA-N 0 3 286.297 2.911 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000601807426 350779610 /nfs/dbraw/zinc/77/96/10/350779610.db2.gz KVMDVDMUZOKETE-HOTGVXAUSA-N 0 3 285.391 2.512 20 30 CFEDHN CN(C)[C@H](CC(=O)N(C)[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000601818290 350784412 /nfs/dbraw/zinc/78/44/12/350784412.db2.gz LFLHSXFPDNULGE-GVDBMIGSSA-N 0 3 299.418 2.830 20 30 CFEDHN N#Cc1cccc(CNCCn2ccc(C(F)(F)F)n2)c1 ZINC000602016575 350832303 /nfs/dbraw/zinc/83/23/03/350832303.db2.gz GYXGLDIKWCAYSU-UHFFFAOYSA-N 0 3 294.280 2.563 20 30 CFEDHN CC[C@@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602021396 350834003 /nfs/dbraw/zinc/83/40/03/350834003.db2.gz TUWKFHNNJDBBEV-QWHCGFSZSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(c2cccs2)CC1 ZINC000602477031 350898262 /nfs/dbraw/zinc/89/82/62/350898262.db2.gz OVKWPLGGMPCREO-ZDUSSCGKSA-N 0 3 263.410 2.810 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602483852 350902233 /nfs/dbraw/zinc/90/22/33/350902233.db2.gz JKIZIASPZXAHMS-HZPDHXFCSA-N 0 3 285.391 2.733 20 30 CFEDHN Cc1ccc(OCCNCc2cccc(C#N)n2)c(C)c1 ZINC000602505407 350908036 /nfs/dbraw/zinc/90/80/36/350908036.db2.gz YEZZSGUYDSBCNG-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN COC(=O)c1[nH]c(CN[C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000602510422 350910597 /nfs/dbraw/zinc/91/05/97/350910597.db2.gz NQEJBYBIUYDZEZ-LBPRGKRZSA-N 0 3 297.358 2.832 20 30 CFEDHN N#CC1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000602516112 350912549 /nfs/dbraw/zinc/91/25/49/350912549.db2.gz HOLFKXIJJODUHC-UHFFFAOYSA-N 0 3 259.309 2.767 20 30 CFEDHN CC1(C)CCC[C@@H]1CCNC(=O)[C@H](N)CCCCC#N ZINC000602523889 350914013 /nfs/dbraw/zinc/91/40/13/350914013.db2.gz HTPRPCFBYZWTQJ-ZIAGYGMSSA-N 0 3 279.428 2.730 20 30 CFEDHN Cc1cc(C)cc(OCCNCc2cccc(C#N)n2)c1 ZINC000602529819 350915799 /nfs/dbraw/zinc/91/57/99/350915799.db2.gz UXASHXRRLACWHX-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000602534102 350916752 /nfs/dbraw/zinc/91/67/52/350916752.db2.gz OAXNTXZTLJFIAR-JYJNAYRXSA-N 0 3 299.418 2.706 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCCC(F)(F)F ZINC000602558966 350924589 /nfs/dbraw/zinc/92/45/89/350924589.db2.gz ABFQAOBREBAIQP-SNVBAGLBSA-N 0 3 264.291 2.627 20 30 CFEDHN COc1ccc(CNC[C@H](C)CCC#N)c(F)c1 ZINC000602569524 350928248 /nfs/dbraw/zinc/92/82/48/350928248.db2.gz SRUUMPPVDVRHGG-LLVKDONJSA-N 0 3 250.317 2.864 20 30 CFEDHN C[C@@H](CCC#N)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000602572196 350929377 /nfs/dbraw/zinc/92/93/77/350929377.db2.gz YYFKMNWFWCFGRG-KBPBESRZSA-N 0 3 283.379 2.858 20 30 CFEDHN CC1(CNCc2cccc(C#N)n2)Cc2ccccc2C1 ZINC000602577446 350930927 /nfs/dbraw/zinc/93/09/27/350930927.db2.gz UOBKJXHBBRTEJA-UHFFFAOYSA-N 0 3 277.371 2.848 20 30 CFEDHN CSCCc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000602588993 350937496 /nfs/dbraw/zinc/93/74/96/350937496.db2.gz XAGVSLOGLMAFDJ-CYBMUJFWSA-N 0 3 291.420 2.552 20 30 CFEDHN CCC(CC)N(CCOC)Cc1cccc(C#N)n1 ZINC000602444429 350885976 /nfs/dbraw/zinc/88/59/76/350885976.db2.gz MMUOSBDBCWOODY-UHFFFAOYSA-N 0 3 261.369 2.590 20 30 CFEDHN COc1ccccc1CCN(C)Cc1cccc(C#N)n1 ZINC000602462857 350891358 /nfs/dbraw/zinc/89/13/58/350891358.db2.gz CZWMCMVXIGKECO-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](c3ccco3)C2)n1 ZINC000602467343 350893550 /nfs/dbraw/zinc/89/35/50/350893550.db2.gz HXUYRYONBMUIDR-GFCCVEGCSA-N 0 3 253.305 2.536 20 30 CFEDHN CC1CCC(N2CCN(Cc3cccc(C#N)n3)CC2)CC1 ZINC000602470497 350895259 /nfs/dbraw/zinc/89/52/59/350895259.db2.gz ZBAOKCUGAJTKPX-UHFFFAOYSA-N 0 3 298.434 2.650 20 30 CFEDHN C=CCCCN(C)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602476237 350897693 /nfs/dbraw/zinc/89/76/93/350897693.db2.gz XEDJHTZXIPJDPP-UHFFFAOYSA-N 0 3 250.342 2.508 20 30 CFEDHN C=CCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602643134 350959222 /nfs/dbraw/zinc/95/92/22/350959222.db2.gz IVYXDIHHYGKBJO-UHFFFAOYSA-N 0 3 261.281 2.792 20 30 CFEDHN C[C@@H](CCC#N)CN1CCOc2cc(O)ccc2C1 ZINC000602654331 350963044 /nfs/dbraw/zinc/96/30/44/350963044.db2.gz LOCKCYURJZXBEK-LBPRGKRZSA-N 0 3 260.337 2.526 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C)c1c(F)cncc1F ZINC000602657573 350963337 /nfs/dbraw/zinc/96/33/37/350963337.db2.gz ZKTRYKZHWJTVMT-ZJUUUORDSA-N 0 3 253.296 2.950 20 30 CFEDHN N#Cc1ccc(CNC2CC(n3cccn3)C2)cc1Cl ZINC000602659649 350964941 /nfs/dbraw/zinc/96/49/41/350964941.db2.gz UXYPPINWBDSYIW-UHFFFAOYSA-N 0 3 286.766 2.901 20 30 CFEDHN C[C@@]12CN(Cc3cccc(C#N)n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000602673534 350971732 /nfs/dbraw/zinc/97/17/32/350971732.db2.gz CVGXMJROICSNJX-OQUILHJVSA-N 0 3 265.360 2.597 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC000602678058 350973925 /nfs/dbraw/zinc/97/39/25/350973925.db2.gz BFHCGPNBFQPOHW-RYUDHWBXSA-N 0 3 255.321 3.000 20 30 CFEDHN C[C@H](CCC#N)CNc1cccc(CN2CC[C@H](O)C2)c1 ZINC000602676999 350974053 /nfs/dbraw/zinc/97/40/53/350974053.db2.gz PHSYCOUAGKNJIV-PBHICJAKSA-N 0 3 287.407 2.605 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)CC(F)(F)F ZINC000602690019 350980489 /nfs/dbraw/zinc/98/04/89/350980489.db2.gz IOTGWAKFIPODEY-VIFPVBQESA-N 0 3 257.259 2.631 20 30 CFEDHN CO[C@@H](CNCC1(C#N)CCCC1)C1CCCC1 ZINC000602701050 350987196 /nfs/dbraw/zinc/98/71/96/350987196.db2.gz ZVIVCESEXNEFGP-AWEZNQCLSA-N 0 3 250.386 2.865 20 30 CFEDHN C[C@H](CCC#N)CN1CCOC(C2CC2)(C2CC2)C1 ZINC000602712217 350993721 /nfs/dbraw/zinc/99/37/21/350993721.db2.gz CBVIUROGIJVORC-CYBMUJFWSA-N 0 3 262.397 2.817 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OC)n2C)C1 ZINC000602711996 350994030 /nfs/dbraw/zinc/99/40/30/350994030.db2.gz WIMZQXPUUCVQLN-ZDUSSCGKSA-N 0 3 276.380 2.600 20 30 CFEDHN C[C@H](CCC#N)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000602714388 350995725 /nfs/dbraw/zinc/99/57/25/350995725.db2.gz IESMFRAVHOLWFU-GFCCVEGCSA-N 0 3 260.385 2.734 20 30 CFEDHN C[C@H](CCC#N)CN1Cc2cnn(C)c2CC(C)(C)C1 ZINC000602716039 350996542 /nfs/dbraw/zinc/99/65/42/350996542.db2.gz QSQYZCPJZCIULX-CYBMUJFWSA-N 0 3 274.412 2.744 20 30 CFEDHN CC[C@](C)(CN1CCc2c(CC#N)cccc2C1)OC ZINC000602730017 351003326 /nfs/dbraw/zinc/00/33/26/351003326.db2.gz MSLFFMZTZMCPGW-QGZVFWFLSA-N 0 3 272.392 2.926 20 30 CFEDHN C[C@H](CN(C)Cc1cccc(C#N)n1)c1nccs1 ZINC000602607756 350943565 /nfs/dbraw/zinc/94/35/65/350943565.db2.gz KYHYFCZVCUCXBE-LLVKDONJSA-N 0 3 272.377 2.645 20 30 CFEDHN CC[C@H](CC#N)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000602612735 350946290 /nfs/dbraw/zinc/94/62/90/350946290.db2.gz QBKOWNQXRAXCTH-LSDHHAIUSA-N 0 3 257.381 2.795 20 30 CFEDHN C[C@H](CCC#N)CN1CCSC2(CCOCC2)C1 ZINC000602618526 350948189 /nfs/dbraw/zinc/94/81/89/350948189.db2.gz IVJDJHJLKJGFPX-CYBMUJFWSA-N 0 3 268.426 2.524 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cscc1Cl ZINC000602626036 350951890 /nfs/dbraw/zinc/95/18/90/350951890.db2.gz WXSUUGQHRPVNPT-SECBINFHSA-N 0 3 271.773 2.751 20 30 CFEDHN CN(CCOc1ccc(F)cc1)CC1(CC#N)CC1 ZINC000602759321 351015615 /nfs/dbraw/zinc/01/56/15/351015615.db2.gz QTZJZDWPBZGUOK-UHFFFAOYSA-N 0 3 262.328 2.830 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602780129 351022716 /nfs/dbraw/zinc/02/27/16/351022716.db2.gz PCHVVCWSPPAPJM-CHWSQXEVSA-N 0 3 250.386 2.816 20 30 CFEDHN CC1CCC(N2CCN(CC3(CC#N)CC3)CC2)CC1 ZINC000602786297 351025233 /nfs/dbraw/zinc/02/52/33/351025233.db2.gz YLBJFQFWHZNTAU-UHFFFAOYSA-N 0 3 275.440 2.877 20 30 CFEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CC1(CC#N)CC1 ZINC000602799982 351030758 /nfs/dbraw/zinc/03/07/58/351030758.db2.gz SSEQPSILNDBWAG-CYBMUJFWSA-N 0 3 258.369 2.857 20 30 CFEDHN N#CCC1(CNC2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000602806003 351032852 /nfs/dbraw/zinc/03/28/52/351032852.db2.gz RGGBPFGKAZIHEK-UHFFFAOYSA-N 0 3 270.332 2.688 20 30 CFEDHN N#CCC1(CN2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000602806358 351033027 /nfs/dbraw/zinc/03/30/27/351033027.db2.gz RVMDNIDUXKKQJC-OAHLLOKOSA-N 0 3 255.365 2.640 20 30 CFEDHN N#CCC1(CN2CCC[C@@H](c3ccncc3)C2)CC1 ZINC000602825801 351038050 /nfs/dbraw/zinc/03/80/50/351038050.db2.gz FMHYJNIJLQSXKC-OAHLLOKOSA-N 0 3 255.365 2.955 20 30 CFEDHN C[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@H](C)N1CC#N ZINC000602847850 351044301 /nfs/dbraw/zinc/04/43/01/351044301.db2.gz DRWHZDKSJHNZHM-BETUJISGSA-N 0 3 285.382 2.730 20 30 CFEDHN CC[C@H](CC(F)F)CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602847380 351044359 /nfs/dbraw/zinc/04/43/59/351044359.db2.gz AYYWUTBTXQDWIC-JHJVBQTASA-N 0 3 273.371 2.586 20 30 CFEDHN C[C@@H]1CN(CCCCc2ccccc2)C[C@@H](C)N1CC#N ZINC000602852859 351045708 /nfs/dbraw/zinc/04/57/08/351045708.db2.gz DKOHRWQXFUWMAT-IAGOWNOFSA-N 0 3 285.435 2.927 20 30 CFEDHN C[C@@H]1CN(CCCC2CCCC2)C[C@H](C)N1CC#N ZINC000602858456 351046805 /nfs/dbraw/zinc/04/68/05/351046805.db2.gz BDRYNUALVNWDAU-GASCZTMLSA-N 0 3 263.429 2.875 20 30 CFEDHN N#CCC1(CN2CCC[C@H](c3cccnc3)C2)CC1 ZINC000602855902 351047416 /nfs/dbraw/zinc/04/74/16/351047416.db2.gz QHLBAGLRUACWBK-HNNXBMFYSA-N 0 3 255.365 2.955 20 30 CFEDHN C[C@H](CN1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858519 351048792 /nfs/dbraw/zinc/04/87/92/351048792.db2.gz SMKJHZMXSWOFLT-PMPSAXMXSA-N 0 3 271.408 2.708 20 30 CFEDHN CCN1[C@H](C)CN(CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000602873759 351055080 /nfs/dbraw/zinc/05/50/80/351055080.db2.gz KXBUJRHWLLSNLQ-GASCZTMLSA-N 0 3 271.408 2.515 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](n3ccnn3)CC2)cc1C#N ZINC000602894036 351059183 /nfs/dbraw/zinc/05/91/83/351059183.db2.gz XGAXKHDYZCKUGX-QGZVFWFLSA-N 0 3 295.390 2.685 20 30 CFEDHN N#Cc1ccc(C2CCN(CCOCC3CC3)CC2)nc1 ZINC000602908299 351062999 /nfs/dbraw/zinc/06/29/99/351062999.db2.gz CCNBOWODACHSGQ-UHFFFAOYSA-N 0 3 285.391 2.559 20 30 CFEDHN CC1(C)CO[C@H](CN2CCc3c(CC#N)cccc3C2)C1 ZINC000602916944 351064274 /nfs/dbraw/zinc/06/42/74/351064274.db2.gz IWOAXYPBHMESFL-INIZCTEOSA-N 0 3 284.403 2.926 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000602741174 351010250 /nfs/dbraw/zinc/01/02/50/351010250.db2.gz DUTOEKMFKNFNBR-GMTAPVOTSA-N 0 3 276.302 2.626 20 30 CFEDHN CC[C@H]1CCCC[C@H]1CN1CCN(CCC#N)CC1 ZINC000602749134 351013712 /nfs/dbraw/zinc/01/37/12/351013712.db2.gz YNHDCSFQAGLZBT-HOTGVXAUSA-N 0 3 263.429 2.734 20 30 CFEDHN CC1(F)CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000602993192 351087526 /nfs/dbraw/zinc/08/75/26/351087526.db2.gz TXMUYSIAFDJQAW-UHFFFAOYSA-N 0 3 289.354 2.711 20 30 CFEDHN CC(C)[C@@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603250682 351125258 /nfs/dbraw/zinc/12/52/58/351125258.db2.gz NTNYUBVUZWISMQ-MRXNPFEDSA-N 0 3 297.406 2.783 20 30 CFEDHN CN1CCC(Nc2cccc(-n3cccc3)c2C#N)CC1 ZINC000603268020 351128212 /nfs/dbraw/zinc/12/82/12/351128212.db2.gz DLCBWMBYHFOLEL-UHFFFAOYSA-N 0 3 280.375 2.855 20 30 CFEDHN CCCNC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118392217 186772001 /nfs/dbraw/zinc/77/20/01/186772001.db2.gz JVMREUUBOGHIFO-CQSZACIVSA-N 0 3 299.418 2.857 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1C2CCCC1CCC2 ZINC000608499528 351446670 /nfs/dbraw/zinc/44/66/70/351446670.db2.gz NOJLVFRKUBJOCF-UHFFFAOYSA-N 0 3 262.397 2.594 20 30 CFEDHN CCN(CCn1ccccc1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000608788725 351470414 /nfs/dbraw/zinc/47/04/14/351470414.db2.gz QYIDUIKLNLBCPA-OAHLLOKOSA-N 0 3 295.386 2.803 20 30 CFEDHN N#CCCCCNCc1cnc(-c2ccccc2)nc1 ZINC000609140501 351486902 /nfs/dbraw/zinc/48/69/02/351486902.db2.gz UGXWMVLIELHVIL-UHFFFAOYSA-N 0 3 266.348 2.927 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ccccc2F)CC1 ZINC000609927051 351528351 /nfs/dbraw/zinc/52/83/51/351528351.db2.gz ISOFBUIRURGTFA-LLVKDONJSA-N 0 3 260.312 2.691 20 30 CFEDHN CC(C#N)C(=O)NCc1c(Cl)cccc1Cl ZINC000609919707 351528392 /nfs/dbraw/zinc/52/83/92/351528392.db2.gz DXYCQUKQXPLIGZ-SSDOTTSWSA-N 0 3 257.120 2.769 20 30 CFEDHN CC(C#N)C(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000609920160 351528669 /nfs/dbraw/zinc/52/86/69/351528669.db2.gz OQNSZBAWXSLAES-KGLIPLIRSA-N 0 3 297.402 2.588 20 30 CFEDHN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000610161295 351535612 /nfs/dbraw/zinc/53/56/12/351535612.db2.gz DUKBXLUTTFJKTK-HNNXBMFYSA-N 0 3 280.371 2.941 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CCC2CCCC2)CC1 ZINC000610213170 351541838 /nfs/dbraw/zinc/54/18/38/351541838.db2.gz BUBZKIDIZOPFDF-MRXNPFEDSA-N 0 3 263.429 2.732 20 30 CFEDHN CC(C)(NCCCSCC#N)C(=O)Nc1ccccc1 ZINC000610844301 351613065 /nfs/dbraw/zinc/61/30/65/351613065.db2.gz GCBHSSCYXOMVPD-UHFFFAOYSA-N 0 3 291.420 2.640 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000610812467 351610510 /nfs/dbraw/zinc/61/05/10/351610510.db2.gz DIAUVFFVOGWQGM-UKRRQHHQSA-N 0 3 262.328 2.602 20 30 CFEDHN Cc1ccc(O)c(CN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000610344950 351556968 /nfs/dbraw/zinc/55/69/68/351556968.db2.gz OPEPTIFTAVJMDB-LBPRGKRZSA-N 0 3 267.332 2.818 20 30 CFEDHN CCN1CCN(c2cc(C#N)nc3ccccc32)C[C@H]1C ZINC000611084692 351639340 /nfs/dbraw/zinc/63/93/40/351639340.db2.gz KQGGENZKQITTDJ-CYBMUJFWSA-N 0 3 280.375 2.637 20 30 CFEDHN N#CCCN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000611173623 351647087 /nfs/dbraw/zinc/64/70/87/351647087.db2.gz DDXCLAZUZSYRBC-QGZVFWFLSA-N 0 3 269.392 2.595 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)cc1F)c1ccncc1 ZINC000610947088 351623148 /nfs/dbraw/zinc/62/31/48/351623148.db2.gz JZSITJIBJFVIGM-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN CS[C@@H]1CC[C@@H]1NCc1ccc(C#N)cc1F ZINC000610947131 351623293 /nfs/dbraw/zinc/62/32/93/351623293.db2.gz ZWSONTIOWKXBCU-QWHCGFSZSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cc1F ZINC000610946922 351623319 /nfs/dbraw/zinc/62/33/19/351623319.db2.gz ALZJACNOKLEHIG-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN CC(C)OC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000611388357 351679582 /nfs/dbraw/zinc/67/95/82/351679582.db2.gz GCPQJLYTQGKERX-LBPRGKRZSA-N 0 3 260.337 2.551 20 30 CFEDHN CCC(=O)N1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393273 351681547 /nfs/dbraw/zinc/68/15/47/351681547.db2.gz ALTQPBSAHQHIML-DOTOQJQBSA-N 0 3 297.402 2.536 20 30 CFEDHN CC(C)[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000611438859 351690032 /nfs/dbraw/zinc/69/00/32/351690032.db2.gz BKNWVTVSJHBLDJ-YOEHRIQHSA-N 0 3 299.418 2.856 20 30 CFEDHN Cc1nccc([C@H]2CCCN(CCC(C)(C)C#N)C2)n1 ZINC000611462464 351692275 /nfs/dbraw/zinc/69/22/75/351692275.db2.gz DEBXATWOQUFYJC-AWEZNQCLSA-N 0 3 272.396 2.904 20 30 CFEDHN C[C@@H](NCC[C@H]1CCCO1)c1ccc(C#N)cc1F ZINC000611586141 351712204 /nfs/dbraw/zinc/71/22/04/351712204.db2.gz GGCGUZXGIAOZBD-DGCLKSJQSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@H](N[C@@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1F ZINC000611587851 351712628 /nfs/dbraw/zinc/71/26/28/351712628.db2.gz LDOPOMXSVBUZMT-SWLSCSKDSA-N 0 3 287.382 2.832 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1nccc(C)c1C#N ZINC000612079513 351770844 /nfs/dbraw/zinc/77/08/44/351770844.db2.gz HPTRHGOTIGXBII-CQSZACIVSA-N 0 3 272.396 2.938 20 30 CFEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(CC#N)cc1)CC2 ZINC000612079458 351770996 /nfs/dbraw/zinc/77/09/96/351770996.db2.gz LZYIPJTWXIEEJR-MRXNPFEDSA-N 0 3 298.386 2.528 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000612367753 351809625 /nfs/dbraw/zinc/80/96/25/351809625.db2.gz JJTSSYQNJXTORY-QGZVFWFLSA-N 0 3 285.391 2.514 20 30 CFEDHN C=CCN(C[C@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000271448044 191143034 /nfs/dbraw/zinc/14/30/34/191143034.db2.gz NRJOJRJKQBEVIM-AWEZNQCLSA-N 0 3 286.375 2.558 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1cc(C#N)ccc1F ZINC000613390140 351949304 /nfs/dbraw/zinc/94/93/04/351949304.db2.gz YSFBCZUYUCCBPK-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H](NCCCC(C)(C)C#N)c1nnc2n1CCCCC2 ZINC000613538927 351977374 /nfs/dbraw/zinc/97/73/74/351977374.db2.gz MMGMFSGOILILML-CYBMUJFWSA-N 0 3 289.427 2.985 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@](C)(O)C2)cc1 ZINC000614176901 352057171 /nfs/dbraw/zinc/05/71/71/352057171.db2.gz TXMIFGSMSNNHGE-QGZVFWFLSA-N 0 3 272.392 2.835 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1ccnc(C#N)c1 ZINC000614227389 352065641 /nfs/dbraw/zinc/06/56/41/352065641.db2.gz GWYISOLPLXMXCD-CVEARBPZSA-N 0 3 273.380 2.637 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000614600679 352106564 /nfs/dbraw/zinc/10/65/64/352106564.db2.gz FAQKFQIWXXHZDT-DZGCQCFKSA-N 0 3 294.358 2.983 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCOCC(F)F ZINC000615967277 352268378 /nfs/dbraw/zinc/26/83/78/352268378.db2.gz YQIAUOXHUUUZLH-CQSZACIVSA-N 0 3 280.318 2.807 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(F)(F)F)c1cccc(C#N)c1 ZINC000615795771 352243207 /nfs/dbraw/zinc/24/32/07/352243207.db2.gz RMIFJLPQFMLECC-SKDRFNHKSA-N 0 3 272.270 2.522 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(F)(F)F)c1cccc(C#N)c1 ZINC000615795768 352243447 /nfs/dbraw/zinc/24/34/47/352243447.db2.gz RMIFJLPQFMLECC-BXKDBHETSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)COC2 ZINC000271535866 191197807 /nfs/dbraw/zinc/19/78/07/191197807.db2.gz QHYXSMICUUJLMG-CYBMUJFWSA-N 0 3 261.365 2.960 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1cccnc1)c1cccc(C#N)c1 ZINC000616770539 352428226 /nfs/dbraw/zinc/42/82/26/352428226.db2.gz VSOOFFBSRZWOOV-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000617039186 352474465 /nfs/dbraw/zinc/47/44/65/352474465.db2.gz DLVLPQHTLUUKPH-DZGCQCFKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617344163 352545408 /nfs/dbraw/zinc/54/54/08/352545408.db2.gz BPFXSHWTMBVSLF-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000617781957 352644736 /nfs/dbraw/zinc/64/47/36/352644736.db2.gz WBWUKXBLVZHDDV-HNNXBMFYSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](CC)N(CC)CC)C1 ZINC000617784026 352645507 /nfs/dbraw/zinc/64/55/07/352645507.db2.gz LSXUFKBQXQERRE-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@H](NCCO[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000618302262 352751992 /nfs/dbraw/zinc/75/19/92/352751992.db2.gz QKDQGHOCSKPOSL-XJKSGUPXSA-N 0 3 274.364 2.752 20 30 CFEDHN C=CCCC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618355378 352757468 /nfs/dbraw/zinc/75/74/68/352757468.db2.gz VAXKUQZSXLPIOB-QGZVFWFLSA-N 0 3 286.419 2.728 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000618571373 352813801 /nfs/dbraw/zinc/81/38/01/352813801.db2.gz GHWJIBDCKCDYNZ-CMPLNLGQSA-N 0 3 286.301 2.617 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000618571873 352814999 /nfs/dbraw/zinc/81/49/99/352814999.db2.gz IXWYDOHLWQBVOP-RISCZKNCSA-N 0 3 299.353 2.783 20 30 CFEDHN COc1cccc2c1CCN(C[C@H](C)CCC#N)C2 ZINC000618887665 352905588 /nfs/dbraw/zinc/90/55/88/352905588.db2.gz HXTDLKQTZHUFSL-CYBMUJFWSA-N 0 3 258.365 2.993 20 30 CFEDHN Cc1nn(C)cc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618803602 352883196 /nfs/dbraw/zinc/88/31/96/352883196.db2.gz YHAJRYSECXXTOC-GTNSWQLSSA-N 0 3 280.375 2.938 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccccc2)CC1 ZINC000618887015 352904382 /nfs/dbraw/zinc/90/43/82/352904382.db2.gz FGDBEICDARJBDI-INIZCTEOSA-N 0 3 271.408 2.744 20 30 CFEDHN CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619268557 352989170 /nfs/dbraw/zinc/98/91/70/352989170.db2.gz WTDUZAUCLKPIQS-SWLSCSKDSA-N 0 3 269.348 2.545 20 30 CFEDHN CC(C)CCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619273675 352989609 /nfs/dbraw/zinc/98/96/09/352989609.db2.gz JPCYCCXWWARZOD-MRXNPFEDSA-N 0 3 283.375 2.745 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN(CCCCCF)C2)nc1 ZINC000292250597 198217369 /nfs/dbraw/zinc/21/73/69/198217369.db2.gz QVFHCBUBILCBSC-AWEZNQCLSA-N 0 3 277.343 2.546 20 30 CFEDHN COC(=O)C(C)(C)CCNCc1ccc(C#N)c(Cl)c1 ZINC000619847256 353069252 /nfs/dbraw/zinc/06/92/52/353069252.db2.gz JGWYMWIKNZZWBR-UHFFFAOYSA-N 0 3 294.782 2.891 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1cnn(C)c1)C(C)C ZINC000152069633 187993715 /nfs/dbraw/zinc/99/37/15/187993715.db2.gz MOFITHGICZTAHM-DOTOQJQBSA-N 0 3 290.455 2.769 20 30 CFEDHN C=CCN(C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000154771262 188160507 /nfs/dbraw/zinc/16/05/07/188160507.db2.gz PHSZKXXBDJMSGX-UHFFFAOYSA-N 0 3 275.348 2.628 20 30 CFEDHN CC#CCCN(C)Cc1cc(OC)c(OC)cc1C ZINC000155027663 188177286 /nfs/dbraw/zinc/17/72/86/188177286.db2.gz MSZUWXAXZQDQCE-UHFFFAOYSA-N 0 3 261.365 2.857 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000156163185 188246128 /nfs/dbraw/zinc/24/61/28/188246128.db2.gz QNHBQSFAZULIQB-ZDUSSCGKSA-N 0 3 267.332 2.683 20 30 CFEDHN CC#CCCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000157580367 188326039 /nfs/dbraw/zinc/32/60/39/188326039.db2.gz AYYNLLHVPLKNHS-AWEZNQCLSA-N 0 3 296.208 2.828 20 30 CFEDHN C=CCC(F)(F)C(=O)NCc1ccccc1CN(C)C ZINC000292618876 198352835 /nfs/dbraw/zinc/35/28/35/198352835.db2.gz ACKBPCCAKHZQTE-UHFFFAOYSA-N 0 3 282.334 2.576 20 30 CFEDHN C=C(C)COCCN[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621756206 353419552 /nfs/dbraw/zinc/41/95/52/353419552.db2.gz IMQNZRHGCPLTLH-INIZCTEOSA-N 0 3 288.391 2.667 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000158640752 188386699 /nfs/dbraw/zinc/38/66/99/188386699.db2.gz JSSQNKHFBYDHRE-AWEZNQCLSA-N 0 3 286.375 2.582 20 30 CFEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CCOC2)cc1OC ZINC000623470771 353651303 /nfs/dbraw/zinc/65/13/03/353651303.db2.gz AQGFBQHAKPSNNK-GFCCVEGCSA-N 0 3 297.782 2.792 20 30 CFEDHN C=CC[C@@H](CC)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623513302 353661100 /nfs/dbraw/zinc/66/11/00/353661100.db2.gz SKLVGFCVFLQDDM-CYBMUJFWSA-N 0 3 274.343 2.851 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C)c(Br)cn1 ZINC000623539247 353667707 /nfs/dbraw/zinc/66/77/07/353667707.db2.gz GYVNOBSJJUJLMH-OLZOCXBDSA-N 0 3 297.196 2.586 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCCC23CC3)nn1 ZINC000623825416 353732803 /nfs/dbraw/zinc/73/28/03/353732803.db2.gz BMDFLIRAGRPNIM-CYBMUJFWSA-N 0 3 260.385 2.524 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000625699922 354087752 /nfs/dbraw/zinc/08/77/52/354087752.db2.gz DZYLJVCHHMCIAZ-UONOGXRCSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000625700486 354089219 /nfs/dbraw/zinc/08/92/19/354089219.db2.gz IRWUSFGWYIOUHW-CQSZACIVSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000625701851 354089481 /nfs/dbraw/zinc/08/94/81/354089481.db2.gz UAAOSJFKXDUEOA-CYBMUJFWSA-N 0 3 259.349 2.856 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)c2ccccc2)C1 ZINC000625702902 354090389 /nfs/dbraw/zinc/09/03/89/354090389.db2.gz JSGYMFJYPOLGIC-AWEZNQCLSA-N 0 3 258.365 2.547 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000625705164 354091030 /nfs/dbraw/zinc/09/10/30/354091030.db2.gz YBLGUFYZTOPIGS-RBSFLKMASA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703988 354091477 /nfs/dbraw/zinc/09/14/77/354091477.db2.gz QMNOYCQWXREABG-KBPBESRZSA-N 0 3 290.382 2.901 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)Nc2cccc(CNC)c2)C1 ZINC000625895746 354135218 /nfs/dbraw/zinc/13/52/18/354135218.db2.gz BRKRLYQRZZALCL-ZDUSSCGKSA-N 0 3 273.380 2.836 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](c1ccccn1)C1CCC1 ZINC000625786384 354111068 /nfs/dbraw/zinc/11/10/68/354111068.db2.gz ZTZKJNAJXVKNKW-HOCLYGCPSA-N 0 3 260.381 2.840 20 30 CFEDHN C=C(CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O)c1ccccc1 ZINC000271728024 191293849 /nfs/dbraw/zinc/29/38/49/191293849.db2.gz RQNJCOGSHHVCMP-CVEARBPZSA-N 0 3 293.432 2.645 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625941159 354150274 /nfs/dbraw/zinc/15/02/74/354150274.db2.gz DPOZCVWDSGLSNQ-CYBMUJFWSA-N 0 3 289.379 2.645 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943313 354150950 /nfs/dbraw/zinc/15/09/50/354150950.db2.gz UXDZNGBPRNJXEA-UHFFFAOYSA-N 0 3 289.379 2.599 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000626105425 354193826 /nfs/dbraw/zinc/19/38/26/354193826.db2.gz GAKVPGMERSMTRR-HOCLYGCPSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC(C)(C)CCNC(=O)CCN(C)c1ccncc1 ZINC000628314542 354540210 /nfs/dbraw/zinc/54/02/10/354540210.db2.gz DRMFPVFHIFVDEM-UHFFFAOYSA-N 0 3 275.396 2.626 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000628317156 354542570 /nfs/dbraw/zinc/54/25/70/354542570.db2.gz XXYUXPCTBISTRM-IHRRRGAJSA-N 0 3 266.429 2.966 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2CCCC[C@H]2CC)nn1 ZINC000628318533 354543434 /nfs/dbraw/zinc/54/34/34/354543434.db2.gz JUVVNIZXNAVIEB-KGLIPLIRSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000628406099 354579401 /nfs/dbraw/zinc/57/94/01/354579401.db2.gz BZILKOFIUQHRAG-LBPRGKRZSA-N 0 3 277.364 2.807 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000628973937 354710838 /nfs/dbraw/zinc/71/08/38/354710838.db2.gz KSHVLRKUBAYKKM-INIZCTEOSA-N 0 3 276.424 2.888 20 30 CFEDHN N#C[C@@H]1CCC[C@H]1N[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000333028952 283057550 /nfs/dbraw/zinc/05/75/50/283057550.db2.gz BTFOJSYWYVESMG-YWPYICTPSA-N 0 3 265.360 2.917 20 30 CFEDHN C[C@H](CNc1nc2c(cc1C#N)CCC2)N1CCC[C@H](C)C1 ZINC000328706227 202023074 /nfs/dbraw/zinc/02/30/74/202023074.db2.gz AGWLZZFEPNDHFB-UONOGXRCSA-N 0 3 298.434 2.974 20 30 CFEDHN C#CCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000271790888 191327323 /nfs/dbraw/zinc/32/73/23/191327323.db2.gz NJKVWLXVOYQTMS-JTQLQIEISA-N 0 3 251.301 2.517 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(F)c2F)CC1 ZINC000630943727 355224596 /nfs/dbraw/zinc/22/45/96/355224596.db2.gz QIMXXJHLHSCQLT-UHFFFAOYSA-N 0 3 294.345 2.653 20 30 CFEDHN C[C@H](N[C@H](CO)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271815548 191344588 /nfs/dbraw/zinc/34/45/88/191344588.db2.gz BKRGJAVOSNAVMY-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H](NCCN(C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000271831470 191353260 /nfs/dbraw/zinc/35/32/60/191353260.db2.gz DWJHZHOXFVHWBY-LLVKDONJSA-N 0 3 285.313 2.703 20 30 CFEDHN C=CCOCCCNCc1ccncc1Br ZINC000631173865 355330466 /nfs/dbraw/zinc/33/04/66/355330466.db2.gz GYCOYRHETBDCAG-UHFFFAOYSA-N 0 3 285.185 2.526 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@H]2C)cc1OC ZINC000631220708 355358137 /nfs/dbraw/zinc/35/81/37/355358137.db2.gz XKCUSQIACMAVKV-KCQAQPDRSA-N 0 3 291.391 2.916 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000632798622 355746297 /nfs/dbraw/zinc/74/62/97/355746297.db2.gz ZJBLAWIQFLEKFR-CYBMUJFWSA-N 0 3 264.413 2.579 20 30 CFEDHN COCC#CCN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000680090935 540197316 /nfs/dbraw/zinc/19/73/16/540197316.db2.gz JONAVEMWBVGROQ-YOEHRIQHSA-N 0 3 273.376 2.728 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634094872 356090222 /nfs/dbraw/zinc/09/02/22/356090222.db2.gz FKJFIWMWJQDEDC-ZDUSSCGKSA-N 0 3 290.411 2.691 20 30 CFEDHN N#Cc1cccc(CN2CCC(CCCO)CC2)c1 ZINC000272975899 192003735 /nfs/dbraw/zinc/00/37/35/192003735.db2.gz PSNMBQFYSUIJJS-UHFFFAOYSA-N 0 3 258.365 2.543 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCCC2)c(C(F)(F)F)c1 ZINC000352843367 283144440 /nfs/dbraw/zinc/14/44/40/283144440.db2.gz ZGAWTJSCMZOFEN-UHFFFAOYSA-N 0 3 298.308 2.972 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000352819393 283148346 /nfs/dbraw/zinc/14/83/46/283148346.db2.gz BACDQCNFTXDLPM-LBPRGKRZSA-N 0 3 284.281 2.846 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccc(F)cc2)[C@@H]2CCO[C@H]21 ZINC000295828640 199682596 /nfs/dbraw/zinc/68/25/96/199682596.db2.gz CGWJRURSWQRHRP-ARFHVFGLSA-N 0 3 273.351 2.580 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000336117904 283206560 /nfs/dbraw/zinc/20/65/60/283206560.db2.gz MRQHIGKOLKBVQZ-OAHLLOKOSA-N 0 3 264.328 2.521 20 30 CFEDHN N#Cc1cnc(N2CCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000363402076 283231848 /nfs/dbraw/zinc/23/18/48/283231848.db2.gz DQCBMMQTAHFODH-ZDUSSCGKSA-N 0 3 290.798 2.671 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1cccc(C#N)c1 ZINC000286615530 283241756 /nfs/dbraw/zinc/24/17/56/283241756.db2.gz CBOXXYCTAAUZCH-UHFFFAOYSA-N 0 3 285.391 2.506 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3c2CCCC3)CC1 ZINC000294749210 199165079 /nfs/dbraw/zinc/16/50/79/199165079.db2.gz XGPGPJOYSZTUET-UHFFFAOYSA-N 0 3 298.430 2.946 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000294786287 199182985 /nfs/dbraw/zinc/18/29/85/199182985.db2.gz OBFWKZWUWGQKFZ-GFCCVEGCSA-N 0 3 258.365 2.517 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccoc1 ZINC001085178162 781936353 /nfs/dbraw/zinc/93/63/53/781936353.db2.gz OJXIDRAEHQHWMP-ZIAGYGMSSA-N 0 3 296.798 2.592 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1ccccc1OC(F)F ZINC000294861469 199218813 /nfs/dbraw/zinc/21/88/13/199218813.db2.gz BZWOANZHJXCBFM-CYBMUJFWSA-N 0 3 296.361 2.894 20 30 CFEDHN C[C@H]1C[C@H]1N1CCN(c2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000488726256 291158287 /nfs/dbraw/zinc/15/82/87/291158287.db2.gz FDHUAPACSUFGPC-IIYDPXPESA-N 0 3 287.382 2.864 20 30 CFEDHN C=CCCN(C)Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000296900302 200029472 /nfs/dbraw/zinc/02/94/72/200029472.db2.gz QVLRHXIRHYGNIX-UHFFFAOYSA-N 0 3 250.342 2.508 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCCN(CCCO)C1)c1ccco1 ZINC000297265895 200130665 /nfs/dbraw/zinc/13/06/65/200130665.db2.gz KJIUVAPFGRUASH-CVEARBPZSA-N 0 3 292.423 2.723 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(C)nc2)CC1 ZINC000679953893 542257441 /nfs/dbraw/zinc/25/74/41/542257441.db2.gz ZNCKWXKJUZIRCB-INIZCTEOSA-N 0 3 260.381 2.506 20 30 CFEDHN CN1CCC[C@]2(CCN(C(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000297535385 200220874 /nfs/dbraw/zinc/22/08/74/200220874.db2.gz TYZHBCQIVAJXPE-KRWDZBQOSA-N 0 3 298.390 2.508 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)s2)[C@H]2CCO[C@@H]21 ZINC000176974770 189018054 /nfs/dbraw/zinc/01/80/54/189018054.db2.gz NTNNXLJOJNLJSQ-UPJWGTAASA-N 0 3 262.378 2.523 20 30 CFEDHN C=CCCNCc1cccc(OC)c1OC(F)F ZINC000161711204 540696749 /nfs/dbraw/zinc/69/67/49/540696749.db2.gz ONWPFTWNEAWQFX-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN Clc1ccc(C#CCN2CCN(CC3CC3)CC2)cc1 ZINC000177036188 189022638 /nfs/dbraw/zinc/02/26/38/189022638.db2.gz DEMYCVXKGQBXTQ-UHFFFAOYSA-N 0 3 288.822 2.719 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C#N)cc1 ZINC000177245926 189039160 /nfs/dbraw/zinc/03/91/60/189039160.db2.gz RTHZKNGUFHKEER-CVEARBPZSA-N 0 3 298.390 2.649 20 30 CFEDHN C[C@H](NCCSCc1ccccc1C#N)c1cnccn1 ZINC000177821873 189072050 /nfs/dbraw/zinc/07/20/50/189072050.db2.gz NYXJCBXYNKTIHU-ZDUSSCGKSA-N 0 3 298.415 2.932 20 30 CFEDHN C=CCOc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000684416162 540851190 /nfs/dbraw/zinc/85/11/90/540851190.db2.gz UZEQHTOPTPHBMD-OAHLLOKOSA-N 0 3 273.376 2.720 20 30 CFEDHN C#CCCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000179733593 189217308 /nfs/dbraw/zinc/21/73/08/189217308.db2.gz KKZAYLIUQZBDIM-UHFFFAOYSA-N 0 3 298.430 2.745 20 30 CFEDHN CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000179931443 189228567 /nfs/dbraw/zinc/22/85/67/189228567.db2.gz JNVBGGXHFQSVLB-UHFFFAOYSA-N 0 3 280.375 2.943 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccccc1C)C(C)(C)C ZINC000180088182 189236774 /nfs/dbraw/zinc/23/67/74/189236774.db2.gz XZVYYSFGBUUVDW-MRXNPFEDSA-N 0 3 274.408 2.974 20 30 CFEDHN C=C(C)COCCN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000358972688 540965917 /nfs/dbraw/zinc/96/59/17/540965917.db2.gz XAGJLBJKQGGZOU-HNNXBMFYSA-N 0 3 291.391 2.873 20 30 CFEDHN CN(CCC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182917083 189339521 /nfs/dbraw/zinc/33/95/21/189339521.db2.gz XHJQLMHPVQHUDX-QGZVFWFLSA-N 0 3 297.402 2.786 20 30 CFEDHN C=C[C@](C)(O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000666301688 541082121 /nfs/dbraw/zinc/08/21/21/541082121.db2.gz VSWAUBOFNUVCMD-KRWDZBQOSA-N 0 3 288.391 2.548 20 30 CFEDHN Cc1csc([C@@H](C)CNCc2ccc(C#N)o2)n1 ZINC000184116681 189376368 /nfs/dbraw/zinc/37/63/68/189376368.db2.gz QKZZZUAOJALKHY-VIFPVBQESA-N 0 3 261.350 2.810 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccnn2)C1 ZINC000425502874 239082537 /nfs/dbraw/zinc/08/25/37/239082537.db2.gz RAMFJUJBFYVOPH-CZUORRHYSA-N 0 3 281.363 2.548 20 30 CFEDHN C=CC1CCN(C(=O)Nc2cccc(CN)c2)CC1 ZINC000667728126 541301086 /nfs/dbraw/zinc/30/10/86/541301086.db2.gz MWCXKENOLRSAAF-UHFFFAOYSA-N 0 3 259.353 2.575 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000667868761 541331555 /nfs/dbraw/zinc/33/15/55/541331555.db2.gz DSQCERNSPLJJGP-WBVHZDCISA-N 0 3 273.376 2.909 20 30 CFEDHN Cc1cccc(OC[C@@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000190849411 189576053 /nfs/dbraw/zinc/57/60/53/189576053.db2.gz MACKOUVENRZRFP-CQSZACIVSA-N 0 3 283.375 2.762 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000192775035 189628063 /nfs/dbraw/zinc/62/80/63/189628063.db2.gz UUWULSDJORXSSH-QMTHXVAHSA-N 0 3 289.379 2.875 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1ccccc1CCN(C)C ZINC000275633516 193091677 /nfs/dbraw/zinc/09/16/77/193091677.db2.gz KXPBIEHYTHCXFB-UHFFFAOYSA-N 0 3 287.407 2.997 20 30 CFEDHN C=C(Cl)CNC(=O)Nc1ccccc1CCN(C)C ZINC000275723048 193113476 /nfs/dbraw/zinc/11/34/76/193113476.db2.gz WEIVHDMMVFAQGW-UHFFFAOYSA-N 0 3 281.787 2.665 20 30 CFEDHN COc1cc(CN(C[C@@H](C)OC)C(C)C)ccc1C#N ZINC000442883541 241012301 /nfs/dbraw/zinc/01/23/01/241012301.db2.gz HNSPAMXQJSCWKP-CYBMUJFWSA-N 0 3 276.380 2.812 20 30 CFEDHN COc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1C#N ZINC000442885472 241016630 /nfs/dbraw/zinc/01/66/30/241016630.db2.gz NJGQQZYKYHGSLX-UHFFFAOYSA-N 0 3 296.374 2.670 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(C#N)cs1 ZINC000443785224 241086740 /nfs/dbraw/zinc/08/67/40/241086740.db2.gz UKJNLPWZYNXGFM-UHIISALHSA-N 0 3 264.394 2.601 20 30 CFEDHN Cc1cc(CNCCc2nccs2)ccc1C#N ZINC000443976390 241099050 /nfs/dbraw/zinc/09/90/50/241099050.db2.gz DICCURFFRTUAEP-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN Cc1cc(CNCc2ccc(NC(N)=O)cc2)ccc1C#N ZINC000443976088 241100136 /nfs/dbraw/zinc/10/01/36/241100136.db2.gz CTKYMEOZDFVMFV-UHFFFAOYSA-N 0 3 294.358 2.647 20 30 CFEDHN Cc1cc(CN[C@H](CO)Cc2ccccc2)ccc1C#N ZINC000443998675 241105928 /nfs/dbraw/zinc/10/59/28/241105928.db2.gz QQUAQWRSWPKDHB-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1cc(C#N)cs1 ZINC000446907715 241336782 /nfs/dbraw/zinc/33/67/82/241336782.db2.gz FSDKQHLHVKPVJO-AWEZNQCLSA-N 0 3 264.394 2.747 20 30 CFEDHN CC[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447580631 241387616 /nfs/dbraw/zinc/38/76/16/241387616.db2.gz PNQKGYVIOOSUSV-QWHCGFSZSA-N 0 3 286.297 2.912 20 30 CFEDHN Cc1ccncc1CNCc1ccc(C#N)c(C)c1 ZINC000449519585 242001696 /nfs/dbraw/zinc/00/16/96/242001696.db2.gz BYGBTPISTJINKH-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)cc1F ZINC000449565491 242038167 /nfs/dbraw/zinc/03/81/67/242038167.db2.gz IRBCMAKSUQZVQQ-HNNXBMFYSA-N 0 3 275.371 2.613 20 30 CFEDHN CO[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C12CCC2 ZINC000449632518 242081316 /nfs/dbraw/zinc/08/13/16/242081316.db2.gz MXMFCIIEWDSOEB-HZPDHXFCSA-N 0 3 270.376 2.948 20 30 CFEDHN Cn1cc(CN2CCCc3ccccc3CC2)cc1C#N ZINC000449556469 242028119 /nfs/dbraw/zinc/02/81/19/242028119.db2.gz NDFHYUFYJZTZKA-UHFFFAOYSA-N 0 3 279.387 2.888 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000449738166 242126987 /nfs/dbraw/zinc/12/69/87/242126987.db2.gz ZKAKKYGFIUZVSQ-IUIKQTSFSA-N 0 3 288.366 2.991 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](Cn1cccn1)c1ccccc1 ZINC000675497122 541661924 /nfs/dbraw/zinc/66/19/24/541661924.db2.gz BPJMLYLKULSMPM-IRXDYDNUSA-N 0 3 285.391 2.541 20 30 CFEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000330640132 203068697 /nfs/dbraw/zinc/06/86/97/203068697.db2.gz HRGYJSXUHONRGV-RHSMWYFYSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000276082027 193208362 /nfs/dbraw/zinc/20/83/62/193208362.db2.gz BANAYQGJNPLDFA-UONOGXRCSA-N 0 3 290.407 2.769 20 30 CFEDHN CC[C@H](c1cccc(OC)c1)N(C)CC#CCOC ZINC000676729588 541783727 /nfs/dbraw/zinc/78/37/27/541783727.db2.gz QGYGPLKZEYJZIA-MRXNPFEDSA-N 0 3 261.365 2.728 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](O)C(C)(C)C1 ZINC000276117058 193217875 /nfs/dbraw/zinc/21/78/75/193217875.db2.gz YCAOHUCMRIOHKN-WFASDCNBSA-N 0 3 258.365 2.712 20 30 CFEDHN C=CCCN(C)Cc1cncc(Br)c1 ZINC000276364860 193301482 /nfs/dbraw/zinc/30/14/82/193301482.db2.gz GDDNVFNQRNVZKN-UHFFFAOYSA-N 0 3 255.159 2.852 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000276461176 193341215 /nfs/dbraw/zinc/34/12/15/193341215.db2.gz QQKRMZJDYZHOTR-AWEZNQCLSA-N 0 3 264.413 2.890 20 30 CFEDHN CC(C)O[C@H]1C[C@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000276598939 193395913 /nfs/dbraw/zinc/39/59/13/193395913.db2.gz FVXXGDAEKUBCLD-GJZGRUSLSA-N 0 3 275.396 2.578 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000459475148 245191688 /nfs/dbraw/zinc/19/16/88/245191688.db2.gz KNKKPKORCTYRGU-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN Cc1cc(CN2CC3(CCC3)[C@@H]3COC[C@H]32)ccc1C#N ZINC000459742310 245299629 /nfs/dbraw/zinc/29/96/29/245299629.db2.gz YVOWZFDGUYQTGA-IAGOWNOFSA-N 0 3 282.387 2.868 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000459796722 245332288 /nfs/dbraw/zinc/33/22/88/245332288.db2.gz WGIFIHAPOBXKGY-STQMWFEESA-N 0 3 262.378 2.667 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000677477070 541864428 /nfs/dbraw/zinc/86/44/28/541864428.db2.gz OXQRPWBUBHHBBO-HNNXBMFYSA-N 0 3 284.403 2.683 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)[C@@H]1CCCOC1 ZINC000677477528 541864656 /nfs/dbraw/zinc/86/46/56/541864656.db2.gz KGKRDAYKMNZVIJ-OAHLLOKOSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C)CN(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000027110331 372335768 /nfs/dbraw/zinc/33/57/68/372335768.db2.gz OYFLPUJHULOLNM-UHFFFAOYSA-N 0 3 271.364 2.617 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000038013645 372766450 /nfs/dbraw/zinc/76/64/50/372766450.db2.gz IBDHQBMCWDGDCI-OLZOCXBDSA-N 0 3 273.380 2.514 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1F ZINC000451698237 383685414 /nfs/dbraw/zinc/68/54/14/383685414.db2.gz JAJZXZMMJCRQKV-FVQBIDKESA-N 0 3 288.366 2.680 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cccnc1)C(C)C ZINC000042393631 372918341 /nfs/dbraw/zinc/91/83/41/372918341.db2.gz YIWMPBZMZJEZFC-MRXNPFEDSA-N 0 3 287.407 2.510 20 30 CFEDHN N#Cc1cnc(NCCN2CCC3(CCCCC3)CC2)cn1 ZINC000333365904 205257562 /nfs/dbraw/zinc/25/75/62/205257562.db2.gz YCTGOZQNEQIMGL-UHFFFAOYSA-N 0 3 299.422 2.806 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)CC)C(C)C ZINC000047633744 373109560 /nfs/dbraw/zinc/10/95/60/373109560.db2.gz RMXKZNGROCHASX-GJZGRUSLSA-N 0 3 266.429 2.847 20 30 CFEDHN COc1cc(CN(C)CCCCC#N)cc(OC)c1 ZINC000263824968 383688634 /nfs/dbraw/zinc/68/86/34/383688634.db2.gz RTHSRMRNKFPJRQ-UHFFFAOYSA-N 0 3 262.353 2.829 20 30 CFEDHN CCN1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000049957134 373336863 /nfs/dbraw/zinc/33/68/63/373336863.db2.gz YHOOUDNOHPYIKL-UHFFFAOYSA-N 0 3 284.407 2.728 20 30 CFEDHN C[C@H](C#N)CNC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000054181687 373504204 /nfs/dbraw/zinc/50/42/04/373504204.db2.gz ONRLQYSYZTTXFI-RLAWYHOSSA-N 0 3 293.411 2.666 20 30 CFEDHN Cc1nc(N2CCN(CCC(C)(C)C)CC2)ccc1C#N ZINC000488132296 245818690 /nfs/dbraw/zinc/81/86/90/245818690.db2.gz ZZWBTKXDSGNELH-UHFFFAOYSA-N 0 3 286.423 2.820 20 30 CFEDHN CCOC(=O)CCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000055059360 373537882 /nfs/dbraw/zinc/53/78/82/373537882.db2.gz KPUUXYPQPHLDHY-ZDUSSCGKSA-N 0 3 274.364 2.894 20 30 CFEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)CCC(F)(F)F ZINC000063562351 373808773 /nfs/dbraw/zinc/80/87/73/373808773.db2.gz HMDNSYXFJIWCLB-UHFFFAOYSA-N 0 3 299.296 2.771 20 30 CFEDHN C[C@H](N[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000063218227 373798980 /nfs/dbraw/zinc/79/89/80/373798980.db2.gz CKCFVKXERZDLFF-KBXCAEBGSA-N 0 3 280.371 2.812 20 30 CFEDHN CN(CCc1cccnc1)Cc1cccc(C#N)c1 ZINC000063222596 373800130 /nfs/dbraw/zinc/80/01/30/373800130.db2.gz SMDGJBBSXBFZCW-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN C=CCN(CCC(=O)NC(C)C)CCc1ccccc1 ZINC000065959512 373903533 /nfs/dbraw/zinc/90/35/33/373903533.db2.gz UPVBKQJJAPMGAJ-UHFFFAOYSA-N 0 3 274.408 2.632 20 30 CFEDHN C=CCNC(=O)CN(Cc1ccccc1)CC1CCC1 ZINC000065161470 373847098 /nfs/dbraw/zinc/84/70/98/373847098.db2.gz ADKCHYPQTAXFIZ-UHFFFAOYSA-N 0 3 272.392 2.591 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C)CC1 ZINC000068830753 374040898 /nfs/dbraw/zinc/04/08/98/374040898.db2.gz NNOAPATZEIKLCQ-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645416450 383697445 /nfs/dbraw/zinc/69/74/45/383697445.db2.gz QOEBLUVGRDAYHU-CABCVRRESA-N 0 3 281.444 2.857 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000677802767 541906789 /nfs/dbraw/zinc/90/67/89/541906789.db2.gz ZDZFAMQXYOBCFB-MSOLQXFVSA-N 0 3 289.419 2.647 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000072482235 374255846 /nfs/dbraw/zinc/25/58/46/374255846.db2.gz WTHRHPHACLTUJZ-UHFFFAOYSA-N 0 3 289.423 2.856 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](c1ccco1)N(C)C ZINC000072670336 374275381 /nfs/dbraw/zinc/27/53/81/374275381.db2.gz KPXADHXDYXQFDD-MRXNPFEDSA-N 0 3 298.386 2.684 20 30 CFEDHN COCC#CCN(Cc1cccc(OC)c1)CC(C)C ZINC000677818371 541910286 /nfs/dbraw/zinc/91/02/86/541910286.db2.gz KGEALOXDXWXAOZ-UHFFFAOYSA-N 0 3 275.392 2.803 20 30 CFEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)CC#CCOC ZINC000677820111 541910910 /nfs/dbraw/zinc/91/09/10/541910910.db2.gz GNUQTWNZYYEFNT-KRWDZBQOSA-N 0 3 259.393 2.898 20 30 CFEDHN COCC#CCN(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000677820649 541911229 /nfs/dbraw/zinc/91/12/29/541911229.db2.gz RPOZHKYUJHHRCV-QGZVFWFLSA-N 0 3 277.383 2.974 20 30 CFEDHN CC(C)N1CCCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491449026 246070135 /nfs/dbraw/zinc/07/01/35/246070135.db2.gz MOURGYLBEWLHRM-FPLPWBNLSA-N 0 3 297.402 2.514 20 30 CFEDHN CN(C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491507592 246076355 /nfs/dbraw/zinc/07/63/55/246076355.db2.gz TWSOFVJFRVJHQW-MQNTZWLQSA-N 0 3 297.402 2.514 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000072976567 374311260 /nfs/dbraw/zinc/31/12/60/374311260.db2.gz ZKGUKVVULCVDBK-MRXNPFEDSA-N 0 3 258.365 2.807 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000677951615 541929948 /nfs/dbraw/zinc/92/99/48/541929948.db2.gz QJOLCMUMKJTSPW-NVXWUHKLSA-N 0 3 279.424 2.838 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@H]32)s1 ZINC000334148534 206086269 /nfs/dbraw/zinc/08/62/69/206086269.db2.gz GGEZTTQHXUMVFH-BXUZGUMPSA-N 0 3 262.378 2.621 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000077582120 374564356 /nfs/dbraw/zinc/56/43/56/374564356.db2.gz PSHSEZNDIMCLNE-GOEBONIOSA-N 0 3 293.455 2.905 20 30 CFEDHN CCN(CC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000076673711 374557568 /nfs/dbraw/zinc/55/75/68/374557568.db2.gz OIPCBLCXPPRTCT-BBBYJDLNSA-N 0 3 279.428 2.648 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000678219960 541974715 /nfs/dbraw/zinc/97/47/15/541974715.db2.gz NXXADZAPUIVFMG-CYBMUJFWSA-N 0 3 289.297 2.954 20 30 CFEDHN COc1ccc(CN(C)[C@@H]2CCSC2)cc1C#N ZINC000087833149 374830755 /nfs/dbraw/zinc/83/07/55/374830755.db2.gz RDNNORFODONKJU-CYBMUJFWSA-N 0 3 262.378 2.504 20 30 CFEDHN C#CCOc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648730 375135956 /nfs/dbraw/zinc/13/59/56/375135956.db2.gz CSOUOPRLDNDZTF-UHFFFAOYSA-N 0 3 295.386 2.732 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@H](CO)CC(C)(C)C ZINC000451786086 383707399 /nfs/dbraw/zinc/70/73/99/383707399.db2.gz HKVOZDAGVLNWTH-HNNXBMFYSA-N 0 3 290.407 2.796 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@H](COC)C2)cc1 ZINC000093337828 375216233 /nfs/dbraw/zinc/21/62/33/375216233.db2.gz DCTOCFBLESXMLT-KRWDZBQOSA-N 0 3 287.403 2.947 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](COCC)C1 ZINC000093419311 375232971 /nfs/dbraw/zinc/23/29/71/375232971.db2.gz ZHHVCAUSAOPTJE-MRXNPFEDSA-N 0 3 287.403 2.947 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@H](CO)CC(C)(C)C ZINC000451791949 383707738 /nfs/dbraw/zinc/70/77/38/383707738.db2.gz RPTKJQKADZGPRZ-HNNXBMFYSA-N 0 3 290.407 2.796 20 30 CFEDHN C=CCOc1cccc(CN2CCCOC[C@H]2C)c1 ZINC000678273513 541994871 /nfs/dbraw/zinc/99/48/71/541994871.db2.gz KIHLDBADAIQYRS-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@]1(C)CCCO1 ZINC000094797814 375379267 /nfs/dbraw/zinc/37/92/67/375379267.db2.gz GUZITOGPZJTORY-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN CN(CCOCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000505516642 247140856 /nfs/dbraw/zinc/14/08/56/247140856.db2.gz ZUGNQVKWMBBMKE-UHFFFAOYSA-N 0 3 272.270 2.569 20 30 CFEDHN CC[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000505314552 247135163 /nfs/dbraw/zinc/13/51/63/247135163.db2.gz ORPXDCZEXSERJM-CQSZACIVSA-N 0 3 268.364 2.970 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](O)CC1)c1ccc(C#N)cc1F ZINC000512648449 247214731 /nfs/dbraw/zinc/21/47/31/247214731.db2.gz NDVIIGDFSSNNFQ-DRZSPHRISA-N 0 3 262.328 2.651 20 30 CFEDHN C=C(C)CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000103469136 375750580 /nfs/dbraw/zinc/75/05/80/375750580.db2.gz FNMKKOTXJVAQAZ-GFCCVEGCSA-N 0 3 293.798 2.962 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H](CO)CC(C)(C)C ZINC000451792957 383709020 /nfs/dbraw/zinc/70/90/20/383709020.db2.gz USSHFSJNPPRSQQ-CQSZACIVSA-N 0 3 278.371 2.926 20 30 CFEDHN CCN(CCCCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109818393 375824063 /nfs/dbraw/zinc/82/40/63/375824063.db2.gz PPQDNXIBQSHNAP-MRXNPFEDSA-N 0 3 285.391 2.808 20 30 CFEDHN C=C(CNCc1c(C)nn(C)c1C)c1ccccc1 ZINC000110057582 375825648 /nfs/dbraw/zinc/82/56/48/375825648.db2.gz VVUYEEDUPMUPPH-UHFFFAOYSA-N 0 3 255.365 2.840 20 30 CFEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000111253761 375836352 /nfs/dbraw/zinc/83/63/52/375836352.db2.gz MPEUNCIDQHKLIQ-KBPBESRZSA-N 0 3 279.428 2.695 20 30 CFEDHN CC[C@H](C)[C@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000112381593 375916679 /nfs/dbraw/zinc/91/66/79/375916679.db2.gz XVLMELLEEZIKNR-WMLDXEAASA-N 0 3 290.407 2.866 20 30 CFEDHN N#Cc1cccc(CNCCNC(=O)CC2CCCCC2)c1 ZINC000113354687 376011389 /nfs/dbraw/zinc/01/13/89/376011389.db2.gz ZKMNMUBYARLAFZ-UHFFFAOYSA-N 0 3 299.418 2.734 20 30 CFEDHN CC(=O)N(C)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118394603 376291217 /nfs/dbraw/zinc/29/12/17/376291217.db2.gz HFVHHSKIXJRFOT-ZDUSSCGKSA-N 0 3 285.391 2.562 20 30 CFEDHN C[C@H]1SCCN(CCOc2cccc(C#N)c2)[C@@H]1C ZINC000118412694 376292749 /nfs/dbraw/zinc/29/27/49/376292749.db2.gz IJJOTTITFKJQQH-CHWSQXEVSA-N 0 3 276.405 2.763 20 30 CFEDHN C[C@@H]1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000119278337 376383981 /nfs/dbraw/zinc/38/39/81/376383981.db2.gz URXMJJBIUJVQEF-WZRBSPASSA-N 0 3 291.420 2.973 20 30 CFEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000120264258 376580537 /nfs/dbraw/zinc/58/05/37/376580537.db2.gz XWMUNHBDUGNNLM-CYBMUJFWSA-N 0 3 273.380 2.863 20 30 CFEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120268274 376581141 /nfs/dbraw/zinc/58/11/41/376581141.db2.gz NQRMMMOTDLUTHY-IMJJTQAJSA-N 0 3 288.366 2.943 20 30 CFEDHN CN(CCC1CCOCC1)Cc1cc(C#N)ccc1F ZINC000120555728 376639392 /nfs/dbraw/zinc/63/93/92/376639392.db2.gz MJJVIDLCRXZVEW-UHFFFAOYSA-N 0 3 276.355 2.946 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCC1CCOCC1 ZINC000120588200 376646858 /nfs/dbraw/zinc/64/68/58/376646858.db2.gz YDKSHSXKBQBPMN-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120972703 376733794 /nfs/dbraw/zinc/73/37/94/376733794.db2.gz ZHQBOFIQVHOGNI-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000121265863 376793526 /nfs/dbraw/zinc/79/35/26/376793526.db2.gz GDLJECUIPXEQJC-GDBMZVCRSA-N 0 3 286.375 2.568 20 30 CFEDHN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000123641016 376964339 /nfs/dbraw/zinc/96/43/39/376964339.db2.gz MBUBPNQZQNYXHN-MRXNPFEDSA-N 0 3 286.419 2.817 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000128081779 377316606 /nfs/dbraw/zinc/31/66/06/377316606.db2.gz OTZWFFQPKAZZTG-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127345270 377275724 /nfs/dbraw/zinc/27/57/24/377275724.db2.gz SUQHUAURVQQVOC-LSDHHAIUSA-N 0 3 293.455 2.999 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC(CC)CC)CC1 ZINC000128910005 377362723 /nfs/dbraw/zinc/36/27/23/377362723.db2.gz CXJDDUUMGTXQGG-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)C=C)C(C)C ZINC000128573569 377346520 /nfs/dbraw/zinc/34/65/20/377346520.db2.gz QRIZYFOLPNDITE-GJZGRUSLSA-N 0 3 279.428 2.559 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NCCN(C)CCCC ZINC000432104342 383722690 /nfs/dbraw/zinc/72/26/90/383722690.db2.gz ZDJPLSBINDFDAX-UHFFFAOYSA-N 0 3 269.433 2.620 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCOC1 ZINC000132075867 377800524 /nfs/dbraw/zinc/80/05/24/377800524.db2.gz MINYGECDQUJCPA-OAHLLOKOSA-N 0 3 274.364 2.590 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H]1c1cc(C)ccc1C ZINC000133799911 377958048 /nfs/dbraw/zinc/95/80/48/377958048.db2.gz KTBGMPKHNJUJQI-INIZCTEOSA-N 0 3 272.392 2.743 20 30 CFEDHN C[C@@H]1SCCN(CCOc2ccccc2C#N)[C@H]1C ZINC000134774187 378048668 /nfs/dbraw/zinc/04/86/68/378048668.db2.gz JKLCTQZTCBNEJR-STQMWFEESA-N 0 3 276.405 2.763 20 30 CFEDHN CN(C)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000135671946 378155054 /nfs/dbraw/zinc/15/50/54/378155054.db2.gz PCNXCHQYVAXBGR-UHFFFAOYSA-N 0 3 271.389 2.976 20 30 CFEDHN CCCCCCCN1CCOC2(CCOCC2)C1 ZINC000135603054 378149477 /nfs/dbraw/zinc/14/94/77/378149477.db2.gz VHWLVAPQMDHWGE-UHFFFAOYSA-N 0 3 255.402 2.838 20 30 CFEDHN CC(C)n1cnnc1[C@@H]1CCCN(CCCCC#N)C1 ZINC000136059759 378178189 /nfs/dbraw/zinc/17/81/89/378178189.db2.gz NIBGJBXUIJENEE-CQSZACIVSA-N 0 3 275.400 2.732 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)CN(C)C(C)C ZINC000152397276 378413802 /nfs/dbraw/zinc/41/38/02/378413802.db2.gz ROEAEQCIUCDBAQ-UHFFFAOYSA-N 0 3 266.410 2.603 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cnn(C)c1)C(C)C ZINC000152069861 378389847 /nfs/dbraw/zinc/38/98/47/378389847.db2.gz MOFITHGICZTAHM-WBVHZDCISA-N 0 3 290.455 2.769 20 30 CFEDHN CC(C)n1cnnc1[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000328793377 378425255 /nfs/dbraw/zinc/42/52/55/378425255.db2.gz CBWQXQYSYPEKGF-KFWWJZLASA-N 0 3 287.411 2.731 20 30 CFEDHN O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC1)NC1CCCCC1 ZINC000328919858 378439157 /nfs/dbraw/zinc/43/91/57/378439157.db2.gz SRGGTZBDYUIZRZ-CJNGLKHVSA-N 0 3 293.411 2.763 20 30 CFEDHN C[C@@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)CN1C1CC1 ZINC000329727447 378487508 /nfs/dbraw/zinc/48/75/08/378487508.db2.gz OTTSPLCOLZMZDX-OCCSQVGLSA-N 0 3 292.386 2.565 20 30 CFEDHN O=C(N[C@@H](CO)C1CCCC1)[C@@H]1CCCN1C1CCCC1 ZINC000329749883 378492336 /nfs/dbraw/zinc/49/23/36/378492336.db2.gz UPEKIDPYAYHEOV-HOTGVXAUSA-N 0 3 294.439 2.901 20 30 CFEDHN C=CCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000153486552 378495451 /nfs/dbraw/zinc/49/54/51/378495451.db2.gz JJWOLIRVWLBUON-QGZVFWFLSA-N 0 3 287.407 2.526 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)NC[C@H]2N(C)CCCC2(C)C)CC(=O)N1 ZINC000329824280 378500912 /nfs/dbraw/zinc/50/09/12/378500912.db2.gz BKDPZJYTKGHHII-FRRDWIJNSA-N 0 3 295.427 2.818 20 30 CFEDHN C[C@@H](NCc1ccccc1CO)c1ccc(C#N)cc1 ZINC000154089969 378537347 /nfs/dbraw/zinc/53/73/47/378537347.db2.gz HHJBHOUWPRHFHE-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000330445194 378557923 /nfs/dbraw/zinc/55/79/23/378557923.db2.gz DEYAAPUABAWSIM-SOUVJXGZSA-N 0 3 278.396 2.732 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@@H]1[NH+]=C([O-])NCCn1ccnc1 ZINC000330510302 378574799 /nfs/dbraw/zinc/57/47/99/378574799.db2.gz APLXSPLIXPDPLD-KBPBESRZSA-N 0 3 278.400 2.602 20 30 CFEDHN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000331098417 378632661 /nfs/dbraw/zinc/63/26/61/378632661.db2.gz NISJCVKGUPYBHV-VCTAVGKDSA-N 0 3 262.328 2.651 20 30 CFEDHN CCN1CCC[C@H](NC(=O)N[C@@H](C)c2csc(C)n2)C1 ZINC000330648958 378594986 /nfs/dbraw/zinc/59/49/86/378594986.db2.gz NZMFMMSGYLHRGY-JQWIXIFHSA-N 0 3 296.440 2.500 20 30 CFEDHN C[C@H](NC[C@@H]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000331002497 378613245 /nfs/dbraw/zinc/61/32/45/378613245.db2.gz AAWZQYSSBWCXGD-UHTWSYAYSA-N 0 3 262.328 2.509 20 30 CFEDHN CC(C)n1cc(C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000331000683 378613569 /nfs/dbraw/zinc/61/35/69/378613569.db2.gz VUVYPPCTPSFIQI-UHFFFAOYSA-N 0 3 292.427 2.891 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)c2nc(C)cs2)c1 ZINC000155399870 378624936 /nfs/dbraw/zinc/62/49/36/378624936.db2.gz BLTMGAGKVISGQG-GFCCVEGCSA-N 0 3 287.344 2.706 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)cc2)n1 ZINC000155401491 378625702 /nfs/dbraw/zinc/62/57/02/378625702.db2.gz PTLVVCGKNNMHAU-LLVKDONJSA-N 0 3 275.308 2.837 20 30 CFEDHN CC#CCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000157590240 378655390 /nfs/dbraw/zinc/65/53/90/378655390.db2.gz MSZXZMVPELTNRP-ZDUSSCGKSA-N 0 3 298.308 2.967 20 30 CFEDHN CC#CCCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000157590397 378655498 /nfs/dbraw/zinc/65/54/98/378655498.db2.gz MSZXZMVPELTNRP-CYBMUJFWSA-N 0 3 298.308 2.967 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000157697955 378657047 /nfs/dbraw/zinc/65/70/47/378657047.db2.gz NEBDWYWMSNOFIW-CJNGLKHVSA-N 0 3 272.392 2.747 20 30 CFEDHN Cc1cc(CNC[C@@H](O)C2CCCCC2)ccc1C#N ZINC000331265348 378661748 /nfs/dbraw/zinc/66/17/48/378661748.db2.gz BLAJNSYHRFEWER-QGZVFWFLSA-N 0 3 272.392 2.898 20 30 CFEDHN COc1ccc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)cc1C#N ZINC000331286015 378662975 /nfs/dbraw/zinc/66/29/75/378662975.db2.gz MAHVLJFGWKVORY-XEZPLFJOSA-N 0 3 288.391 2.548 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](CCCC)C2CCC2)CC1 ZINC000158740791 378673247 /nfs/dbraw/zinc/67/32/47/378673247.db2.gz GXNJLIODMJXDDC-KRWDZBQOSA-N 0 3 290.451 2.807 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n[nH]1 ZINC000332302671 378744421 /nfs/dbraw/zinc/74/44/21/378744421.db2.gz KZFCUVICLJKZJV-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000332302671 378744423 /nfs/dbraw/zinc/74/44/23/378744423.db2.gz KZFCUVICLJKZJV-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC000332302671 378744424 /nfs/dbraw/zinc/74/44/24/378744424.db2.gz KZFCUVICLJKZJV-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN N#Cc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159577419 378718570 /nfs/dbraw/zinc/71/85/70/378718570.db2.gz LKILOGYPEQWLGK-RDBSUJKOSA-N 0 3 274.389 2.667 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2CCCC[C@H]2C)n1 ZINC000160607156 378786779 /nfs/dbraw/zinc/78/67/79/378786779.db2.gz PEBAMDQQLZUWEU-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000161211664 378831688 /nfs/dbraw/zinc/83/16/88/378831688.db2.gz SBFFRKYMXBVKLM-MRXNPFEDSA-N 0 3 289.423 2.679 20 30 CFEDHN CC1(C#N)CCC(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000333367961 378821542 /nfs/dbraw/zinc/82/15/42/378821542.db2.gz YUHFNIZZWKRNMZ-JVWICGRDSA-N 0 3 258.369 2.849 20 30 CFEDHN C=CC[C@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162135029 378896322 /nfs/dbraw/zinc/89/63/22/378896322.db2.gz RDGHXAWJSLPBKC-JOYOIKCWSA-N 0 3 297.196 2.530 20 30 CFEDHN CC[C@@H](CSC)NCc1ccc(C#N)cc1F ZINC000163865993 378993787 /nfs/dbraw/zinc/99/37/87/378993787.db2.gz AXJKYAYOSOBJFX-LBPRGKRZSA-N 0 3 252.358 2.929 20 30 CFEDHN C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000165718073 379041514 /nfs/dbraw/zinc/04/15/14/379041514.db2.gz NXDARYWHUXDLSU-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166535546 379057246 /nfs/dbraw/zinc/05/72/46/379057246.db2.gz PIWWFTCNZOPPDG-AWEZNQCLSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000278728237 194125279 /nfs/dbraw/zinc/12/52/79/194125279.db2.gz MNFSGAKPXPFRDW-HZPDHXFCSA-N 0 3 272.392 2.763 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278753520 194138976 /nfs/dbraw/zinc/13/89/76/194138976.db2.gz OCBUCJMDHDRHCT-CVEARBPZSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000334368503 379170969 /nfs/dbraw/zinc/17/09/69/379170969.db2.gz SMLUXZSFVOEKJM-STQMWFEESA-N 0 3 268.364 2.826 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2cc(C)n(C)c2C)n1 ZINC000334379662 379194177 /nfs/dbraw/zinc/19/41/77/379194177.db2.gz HUXXMJCUKQSAOE-LBPRGKRZSA-N 0 3 273.361 2.897 20 30 CFEDHN C=CCN(CCO[C@@H]1CCCCO1)CCc1ccco1 ZINC000278877995 194194589 /nfs/dbraw/zinc/19/45/89/194194589.db2.gz SYIKFFZSURHKEP-MRXNPFEDSA-N 0 3 279.380 2.853 20 30 CFEDHN C[C@@H]1[C@@H](C)N(CC#Cc2cccc(Cl)c2)CCN1C ZINC000334451998 379324074 /nfs/dbraw/zinc/32/40/74/379324074.db2.gz XFHQGWIGRMLRSS-ZIAGYGMSSA-N 0 3 276.811 2.716 20 30 CFEDHN N#CCCC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000335445649 379311297 /nfs/dbraw/zinc/31/12/97/379311297.db2.gz YHKZMAUSILTWEK-UHFFFAOYSA-N 0 3 298.390 2.837 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2cccc(Cl)c2)CC1 ZINC000171715290 379382922 /nfs/dbraw/zinc/38/29/22/379382922.db2.gz ARCZVDBBQVMVLV-UHFFFAOYSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2cccs2)CC1 ZINC000171725089 379387412 /nfs/dbraw/zinc/38/74/12/379387412.db2.gz LFZIDENHYCANPK-AATRIKPKSA-N 0 3 276.405 2.528 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334468698 379354278 /nfs/dbraw/zinc/35/42/78/379354278.db2.gz GLQKQQRUDPGGLH-INIZCTEOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCOc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000278975485 194236586 /nfs/dbraw/zinc/23/65/86/194236586.db2.gz YABOTVYKMGHMJM-UHFFFAOYSA-N 0 3 286.375 2.818 20 30 CFEDHN C=CCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000172176289 379512542 /nfs/dbraw/zinc/51/25/42/379512542.db2.gz SDWHGBCMQNFFLQ-UHFFFAOYSA-N 0 3 278.421 2.862 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)c2ncc(C#N)cc2Cl)CCN1C ZINC000172765268 379642577 /nfs/dbraw/zinc/64/25/77/379642577.db2.gz HBWLRVXYQMQLQI-PWSUYJOCSA-N 0 3 278.787 2.526 20 30 CFEDHN C=CCCCNCc1c(OC)cc(OC)cc1OC ZINC000279022102 194252652 /nfs/dbraw/zinc/25/26/52/194252652.db2.gz AKHVOZNRQIUVTB-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@H]32)cc1F ZINC000335744037 379818292 /nfs/dbraw/zinc/81/82/92/379818292.db2.gz DJPNRZSJYWGVHS-GOEBONIOSA-N 0 3 274.339 2.698 20 30 CFEDHN C[C@@H](NCc1ccc(C(N)=O)cc1)c1cccc(C#N)c1 ZINC000174431189 379883065 /nfs/dbraw/zinc/88/30/65/379883065.db2.gz CYKOSIDYVBNIMW-GFCCVEGCSA-N 0 3 279.343 2.508 20 30 CFEDHN C[C@@]1(CNCc2cc(C#N)cs2)CCCC[C@@H]1O ZINC000174938602 379965019 /nfs/dbraw/zinc/96/50/19/379965019.db2.gz YGXYBXSUOFCTJG-KBPBESRZSA-N 0 3 264.394 2.651 20 30 CFEDHN C=CCCCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000175087320 379993989 /nfs/dbraw/zinc/99/39/89/379993989.db2.gz ISNGHVOKQPNVII-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN N#CCCCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175844966 380143035 /nfs/dbraw/zinc/14/30/35/380143035.db2.gz DISJJTQOPNOILT-QWHCGFSZSA-N 0 3 264.394 2.940 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000335909207 380091884 /nfs/dbraw/zinc/09/18/84/380091884.db2.gz IEJOPMLWLHRYOO-TVQRCGJNSA-N 0 3 296.729 2.539 20 30 CFEDHN C=C1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000264465040 383742865 /nfs/dbraw/zinc/74/28/65/383742865.db2.gz LNBZJIPLOUAOQP-MRXNPFEDSA-N 0 3 299.418 2.666 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccccc2Cl)[C@@H](C)CN1C ZINC000335941478 380134291 /nfs/dbraw/zinc/13/42/91/380134291.db2.gz XDTZGTYRCNSUHR-KGLIPLIRSA-N 0 3 276.811 2.716 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000176177349 380190285 /nfs/dbraw/zinc/19/02/85/380190285.db2.gz GNPLCWMMKHHVPS-UHFFFAOYSA-N 0 3 264.369 2.526 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3CCC[C@H]32)CC1 ZINC000336097516 380267048 /nfs/dbraw/zinc/26/70/48/380267048.db2.gz ILLQSVHQWLNWQX-GOEBONIOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccsc2)CC1 ZINC000264465777 383743899 /nfs/dbraw/zinc/74/38/99/383743899.db2.gz HNNBTWIIEXPTNM-ONEGZZNKSA-N 0 3 290.432 2.918 20 30 CFEDHN COc1ccc2c(c1)CCN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000336363144 380330639 /nfs/dbraw/zinc/33/06/39/380330639.db2.gz DTEYHPWSISRNRJ-BBRMVZONSA-N 0 3 270.376 2.788 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000336171926 380279386 /nfs/dbraw/zinc/27/93/86/380279386.db2.gz ARKSULDCNCLDAA-VIFPVBQESA-N 0 3 293.164 2.714 20 30 CFEDHN Cc1cc(CN[C@H]2Cc3cccc(O)c3C2)ccc1C#N ZINC000336508279 380384222 /nfs/dbraw/zinc/38/42/22/380384222.db2.gz RIXJWLNFAKCAND-INIZCTEOSA-N 0 3 278.355 2.829 20 30 CFEDHN CC(C#N)C(=O)N1CCC(OC2CCC(C)CC2)CC1 ZINC000336396970 380337683 /nfs/dbraw/zinc/33/76/83/380337683.db2.gz WMFBQDVKFRQSGQ-ROKHWSDSSA-N 0 3 278.396 2.732 20 30 CFEDHN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177528217 380351606 /nfs/dbraw/zinc/35/16/06/380351606.db2.gz ZJBGOHBYSNKSMW-GASCZTMLSA-N 0 3 283.375 2.619 20 30 CFEDHN N#Cc1cccc(NC(=O)CN2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177536378 380351863 /nfs/dbraw/zinc/35/18/63/380351863.db2.gz APCQMDXEKFPHPA-GASCZTMLSA-N 0 3 283.375 2.619 20 30 CFEDHN CC(C)N1CCC(N(C)C(=O)c2sccc2C#N)CC1 ZINC000336519688 380401473 /nfs/dbraw/zinc/40/14/73/380401473.db2.gz JFWSYJRQRALTME-UHFFFAOYSA-N 0 3 291.420 2.565 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000264482223 383746405 /nfs/dbraw/zinc/74/64/05/383746405.db2.gz QOZMOEXUVKBWBV-UHFFFAOYSA-N 0 3 274.364 2.676 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCCCO1)CC2 ZINC000336560091 380465806 /nfs/dbraw/zinc/46/58/06/380465806.db2.gz YMKKBKQRPYOIJF-HOCLYGCPSA-N 0 3 256.349 2.704 20 30 CFEDHN CC(C(=O)N(C)c1ccccc1C#N)C(F)(F)F ZINC000336560128 380465823 /nfs/dbraw/zinc/46/58/23/380465823.db2.gz HKDZVWPHUHVTMM-MRVPVSSYSA-N 0 3 256.227 2.719 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000178581208 380466770 /nfs/dbraw/zinc/46/67/70/380466770.db2.gz XKBLSBKGTGOWGH-CABCVRRESA-N 0 3 298.390 2.567 20 30 CFEDHN C=C(C)CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000336647129 380582645 /nfs/dbraw/zinc/58/26/45/380582645.db2.gz BOKBCMYIHKXVGO-LBPRGKRZSA-N 0 3 288.160 2.787 20 30 CFEDHN N#Cc1ccccc1N1CCN(Cc2ccccc2O)CC1 ZINC000179556200 380556371 /nfs/dbraw/zinc/55/63/71/380556371.db2.gz ZNYYIBUZPCYSQO-UHFFFAOYSA-N 0 3 293.370 2.586 20 30 CFEDHN C=CCCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179554370 380557350 /nfs/dbraw/zinc/55/73/50/380557350.db2.gz NTPXYQRQBVKXBZ-HNNXBMFYSA-N 0 3 258.365 2.516 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccccc1Br ZINC000309490203 261915566 /nfs/dbraw/zinc/91/55/66/261915566.db2.gz IHCAEGCILKSRFK-NSHDSACASA-N 0 3 284.197 2.723 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)N(C)CC(C)(C)C#N)c1 ZINC000432706353 383749089 /nfs/dbraw/zinc/74/90/89/383749089.db2.gz TVTPAISGIRMOCV-UHFFFAOYSA-N 0 3 288.395 2.762 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)CCCn1ccnc1 ZINC000181075078 380735474 /nfs/dbraw/zinc/73/54/74/380735474.db2.gz RAZAHZOIQBPXIR-UHFFFAOYSA-N 0 3 287.794 2.910 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000181094335 380738874 /nfs/dbraw/zinc/73/88/74/380738874.db2.gz LJTQQMDAXMVDKX-LBPRGKRZSA-N 0 3 278.377 2.920 20 30 CFEDHN C[C@@H](NCCOc1cccc(C#N)c1)c1cccc(O)c1 ZINC000181577742 380833150 /nfs/dbraw/zinc/83/31/50/380833150.db2.gz MACZZOGASAAFOO-CYBMUJFWSA-N 0 3 282.343 2.993 20 30 CFEDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000353822048 380878656 /nfs/dbraw/zinc/87/86/56/380878656.db2.gz UCJSGBKQABJUPV-NUTKFTJISA-N 0 3 299.418 2.902 20 30 CFEDHN CO[C@@H](C)CN(Cc1ccc(C#N)s1)C(C)C ZINC000353774663 380844207 /nfs/dbraw/zinc/84/42/07/380844207.db2.gz IOTCIBCOFWGNMJ-NSHDSACASA-N 0 3 252.383 2.865 20 30 CFEDHN C[C@H](CNc1cc(C#N)ccn1)N(C)Cc1ccccc1 ZINC000287496163 380846716 /nfs/dbraw/zinc/84/67/16/380846716.db2.gz UKIZFRUGCIDWAU-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358563280 380929968 /nfs/dbraw/zinc/92/99/68/380929968.db2.gz VRKRJFBCEZMYHO-MDZLAQPJSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)CC1(C(=O)OC)CC1 ZINC000279262445 194356234 /nfs/dbraw/zinc/35/62/34/194356234.db2.gz UDWYRFRJRNOUOS-UHFFFAOYSA-N 0 3 289.375 2.636 20 30 CFEDHN COC[C@@]1(C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000404073419 380897649 /nfs/dbraw/zinc/89/76/49/380897649.db2.gz PUMXLPYKJIJLBQ-HNNXBMFYSA-N 0 3 262.328 2.556 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CCOCC ZINC000279238928 194348676 /nfs/dbraw/zinc/34/86/76/194348676.db2.gz FQVFNYQXGVRHKH-QGZVFWFLSA-N 0 3 277.408 2.852 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404166317 380902706 /nfs/dbraw/zinc/90/27/06/380902706.db2.gz STRKGNTVRHEKMG-SWLSCSKDSA-N 0 3 276.355 2.823 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)c(F)c1)OC ZINC000404150225 380903718 /nfs/dbraw/zinc/90/37/18/380903718.db2.gz RTCWEKUYTSLWCX-UHFFFAOYSA-N 0 3 264.344 2.992 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000408081712 380914305 /nfs/dbraw/zinc/91/43/05/380914305.db2.gz NUBWSPKYFJNOMH-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000295531928 380920856 /nfs/dbraw/zinc/92/08/56/380920856.db2.gz NLAVGWDAQMLYQU-CABCVRRESA-N 0 3 272.392 2.760 20 30 CFEDHN C#CCCCCN[C@H](C)c1cc(OC)ncc1F ZINC000287731733 380923727 /nfs/dbraw/zinc/92/37/27/380923727.db2.gz PEVGPFRTRWWLDS-LLVKDONJSA-N 0 3 250.317 2.683 20 30 CFEDHN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358584332 380949490 /nfs/dbraw/zinc/94/94/90/380949490.db2.gz HROVLFYUENCBTQ-YRGRVCCFSA-N 0 3 292.354 2.542 20 30 CFEDHN C[C@H](CO)N(Cc1cccc(C#N)c1F)C1CCCC1 ZINC000347161043 380975921 /nfs/dbraw/zinc/97/59/21/380975921.db2.gz GYJHANXOJNZUET-GFCCVEGCSA-N 0 3 276.355 2.823 20 30 CFEDHN CCN(CC)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358567124 380934450 /nfs/dbraw/zinc/93/44/50/380934450.db2.gz JLCJVFWTIWVOPL-GFCCVEGCSA-N 0 3 263.360 2.690 20 30 CFEDHN C[C@@H](N[C@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358567037 380935314 /nfs/dbraw/zinc/93/53/14/380935314.db2.gz IWYSLGGSIBZIFY-YPMHNXCESA-N 0 3 273.355 2.585 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(C)ccc1OC(F)F ZINC000341324415 380935740 /nfs/dbraw/zinc/93/57/40/380935740.db2.gz RRTCMXABYRZKED-LBPRGKRZSA-N 0 3 285.334 2.871 20 30 CFEDHN C[C@H](N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000358569081 380937198 /nfs/dbraw/zinc/93/71/98/380937198.db2.gz LQFSGWXIFNMVSY-PRXAMGSTSA-N 0 3 287.382 2.831 20 30 CFEDHN N#CCNC(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000181944699 380946104 /nfs/dbraw/zinc/94/61/04/380946104.db2.gz WQMGFXKSMBJDRJ-MRXNPFEDSA-N 0 3 285.391 2.537 20 30 CFEDHN COC(=O)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411158379 381012573 /nfs/dbraw/zinc/01/25/73/381012573.db2.gz SOBRRZZQTBMDPN-UHFFFAOYSA-N 0 3 278.396 2.736 20 30 CFEDHN C=CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411169646 381013131 /nfs/dbraw/zinc/01/31/31/381013131.db2.gz RUXUGYFVCRKIGX-UHFFFAOYSA-N 0 3 258.365 2.588 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)CCC#N ZINC000411229970 381019393 /nfs/dbraw/zinc/01/93/93/381019393.db2.gz VVXWQQZNYRAXSY-AWEZNQCLSA-N 0 3 287.407 2.903 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)N(C)CCC#N ZINC000411253937 381021381 /nfs/dbraw/zinc/02/13/81/381021381.db2.gz FEVKLNMEBOAANV-OAHLLOKOSA-N 0 3 291.439 2.815 20 30 CFEDHN C#CCCCC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000368460989 381032042 /nfs/dbraw/zinc/03/20/42/381032042.db2.gz GBRJFRWMZKTPHP-QGZVFWFLSA-N 0 3 298.430 2.913 20 30 CFEDHN N#Cc1cccc(CCNCc2cccc3c2OCCO3)c1 ZINC000341493799 381046815 /nfs/dbraw/zinc/04/68/15/381046815.db2.gz WTIAKTKUUVRGDZ-UHFFFAOYSA-N 0 3 294.354 2.662 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@]2(C1)CCCOC2 ZINC000368498393 381047106 /nfs/dbraw/zinc/04/71/06/381047106.db2.gz HKCDWTBYSGGWFN-QGZVFWFLSA-N 0 3 286.375 2.569 20 30 CFEDHN COCC1(C)CCN(CCOc2ccccc2C#N)CC1 ZINC000358739194 381047420 /nfs/dbraw/zinc/04/74/20/381047420.db2.gz FOGKOXQJOTYEKR-UHFFFAOYSA-N 0 3 288.391 2.686 20 30 CFEDHN N#Cc1cccc(CCNCc2ccc(C#N)cc2F)c1 ZINC000341495184 381049558 /nfs/dbraw/zinc/04/95/58/381049558.db2.gz YGBAZXYEQIRXGK-UHFFFAOYSA-N 0 3 279.318 2.901 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)cc1 ZINC000182324056 381063693 /nfs/dbraw/zinc/06/36/93/381063693.db2.gz JJKAWLXAYDAADX-GJZGRUSLSA-N 0 3 287.407 2.654 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000411540981 381032300 /nfs/dbraw/zinc/03/23/00/381032300.db2.gz GIZPRUAIUFBIMP-CJNGLKHVSA-N 0 3 256.349 2.810 20 30 CFEDHN N#Cc1cccc(CCNCc2ccc(-c3cc[nH]n3)o2)c1 ZINC000341472593 381032572 /nfs/dbraw/zinc/03/25/72/381032572.db2.gz CSBNHCCTPSMNBN-UHFFFAOYSA-N 0 3 292.342 2.874 20 30 CFEDHN C=C(C)[C@@H](NCC[C@H](C)O)c1ccc(F)c(F)c1 ZINC000411557679 381032798 /nfs/dbraw/zinc/03/27/98/381032798.db2.gz RABYXPOPONUANC-IINYFYTJSA-N 0 3 255.308 2.943 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)CC2CCCC2)s1 ZINC000341478251 381037306 /nfs/dbraw/zinc/03/73/06/381037306.db2.gz GMBRFSIGIVNYGW-CYBMUJFWSA-N 0 3 278.421 2.898 20 30 CFEDHN CC(C)(C)c1n[nH]cc1CNCCc1cccc(C#N)c1 ZINC000341480493 381038749 /nfs/dbraw/zinc/03/87/49/381038749.db2.gz IWCDTBDFAGDFFO-UHFFFAOYSA-N 0 3 282.391 2.911 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1OC)[C@H]1CCCO1 ZINC000182264885 381043800 /nfs/dbraw/zinc/04/38/00/381043800.db2.gz WPKCOOIHSKHDHS-HUUCEWRRSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358798222 381091522 /nfs/dbraw/zinc/09/15/22/381091522.db2.gz ZQLPAMLGDTUDOQ-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN COC1([C@@H](C)NCc2cccc(C#N)c2F)CCC1 ZINC000412019725 381093509 /nfs/dbraw/zinc/09/35/09/381093509.db2.gz FXXKVDJTYOARJX-LLVKDONJSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC)C2CCCC2)CC1 ZINC000358824197 381105716 /nfs/dbraw/zinc/10/57/16/381105716.db2.gz CIDVSGQFOVMNJD-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN Cc1cc(C#N)cc(N2CCN(CCC(C)(C)C)CC2)n1 ZINC000341596475 381112114 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/nfs/dbraw/zinc/29/52/51/381295251.db2.gz PMUFVZIFZAXLKN-UHFFFAOYSA-N 0 3 289.375 2.827 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000183837584 381329140 /nfs/dbraw/zinc/32/91/40/381329140.db2.gz BZBAUFMUPTVFCH-IJEWVQPXSA-N 0 3 257.381 2.571 20 30 CFEDHN C[C@H]1CN(C2CCOCC2)CCN1CCCC(C)(C)C#N ZINC000369697249 381317049 /nfs/dbraw/zinc/31/70/49/381317049.db2.gz YWNXPSGCIKMLHD-HNNXBMFYSA-N 0 3 293.455 2.501 20 30 CFEDHN C#Cc1ccc(CNC[C@@](C)(O)c2ccsc2)cc1 ZINC000290225049 381348123 /nfs/dbraw/zinc/34/81/23/381348123.db2.gz FJNBPVTZJKZRRV-MRXNPFEDSA-N 0 3 271.385 2.727 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000342479673 381352450 /nfs/dbraw/zinc/35/24/50/381352450.db2.gz UCJCWVPONODOLN-AEFFLSMTSA-N 0 3 298.430 2.947 20 30 CFEDHN CN(CC[C@H]1CCCO1)Cc1ccc(F)c(C#N)c1 ZINC000342595177 381422396 /nfs/dbraw/zinc/42/23/96/381422396.db2.gz HITSXQGMJHCERC-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN C=CCOCCCN1CCc2ccc(OC)cc2C1 ZINC000347971564 381439795 /nfs/dbraw/zinc/43/97/95/381439795.db2.gz NZKOJEXHKAHNDC-UHFFFAOYSA-N 0 3 261.365 2.646 20 30 CFEDHN C[C@@H](N[C@@H](C)CC(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000296543603 381441181 /nfs/dbraw/zinc/44/11/81/381441181.db2.gz RCAVXTUTPOLRCY-WDEREUQCSA-N 0 3 264.344 2.897 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)C(F)F ZINC000296551422 381444805 /nfs/dbraw/zinc/44/48/05/381444805.db2.gz RNVNJHDGCOBYML-HJIKLVIJSA-N 0 3 286.297 2.753 20 30 CFEDHN C#Cc1ccc(CNC[C@@](C)(O)c2cccs2)cc1 ZINC000290487661 381448219 /nfs/dbraw/zinc/44/82/19/381448219.db2.gz VRILSDFADPZVKL-MRXNPFEDSA-N 0 3 271.385 2.727 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](CC)[C@@H](O)C(F)F)cc1 ZINC000296564385 381451835 /nfs/dbraw/zinc/45/18/35/381451835.db2.gz SLQZSEQIXKVAMS-NILFDRSVSA-N 0 3 297.345 2.754 20 30 CFEDHN C=CCOCCCN(C)Cc1c(C)nc2sccn21 ZINC000348041063 381454600 /nfs/dbraw/zinc/45/46/00/381454600.db2.gz FFTNNABTWPMHMS-UHFFFAOYSA-N 0 3 279.409 2.729 20 30 CFEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1CCCSCC#N ZINC000348293269 381484519 /nfs/dbraw/zinc/48/45/19/381484519.db2.gz ZHSQNCDCBOFWEJ-ZJUUUORDSA-N 0 3 266.332 2.906 20 30 CFEDHN CC#CCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000185035028 381518957 /nfs/dbraw/zinc/51/89/57/381518957.db2.gz IUBATRKHEXHIMY-UGSOOPFHSA-N 0 3 263.406 2.830 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1ccc(C#N)nc1 ZINC000290675035 381519669 /nfs/dbraw/zinc/51/96/69/381519669.db2.gz RQANQZZWCWXGGF-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN COC[C@@]1(C)CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000296654360 381490716 /nfs/dbraw/zinc/49/07/16/381490716.db2.gz JGLKUCINEHSFJD-BBRMVZONSA-N 0 3 258.365 2.978 20 30 CFEDHN C=CCNC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000296666586 381499328 /nfs/dbraw/zinc/49/93/28/381499328.db2.gz KLIKZYUHHRBYJA-IJEWVQPXSA-N 0 3 272.392 2.555 20 30 CFEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C1CC1 ZINC000290746866 381537640 /nfs/dbraw/zinc/53/76/40/381537640.db2.gz ICJRQOKWOWBHCN-HZPDHXFCSA-N 0 3 270.376 2.712 20 30 CFEDHN C[C@H](C1CCC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348397161 381549946 /nfs/dbraw/zinc/54/99/46/381549946.db2.gz GFBDKDVLRHNIOC-DYVFJYSZSA-N 0 3 295.386 2.888 20 30 CFEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)C#N ZINC000359635835 381524898 /nfs/dbraw/zinc/52/48/98/381524898.db2.gz NGTRKNJWGULKHA-UHFFFAOYSA-N 0 3 299.374 2.774 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000185241605 381574863 /nfs/dbraw/zinc/57/48/63/381574863.db2.gz NHLHNNUJMHCMQQ-RDJZCZTQSA-N 0 3 288.435 2.878 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)CS(=O)(=O)CC ZINC000414293479 381576094 /nfs/dbraw/zinc/57/60/94/381576094.db2.gz CTSNXSRYODMMJX-GDBMZVCRSA-N 0 3 295.448 2.587 20 30 CFEDHN CCS[C@@H]1CCC[C@H]1NC[C@@H](C#N)CCC#N ZINC000348466524 381580013 /nfs/dbraw/zinc/58/00/13/381580013.db2.gz GJBJZIMKLVVSEA-JHJVBQTASA-N 0 3 251.399 2.694 20 30 CFEDHN C[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000342808974 381556972 /nfs/dbraw/zinc/55/69/72/381556972.db2.gz SPUYMRAILHDREX-BBRMVZONSA-N 0 3 281.403 2.762 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1cccc(C#N)c1C ZINC000355010731 381564750 /nfs/dbraw/zinc/56/47/50/381564750.db2.gz CGSCKQLZNBSSAQ-OAHLLOKOSA-N 0 3 273.380 2.972 20 30 CFEDHN N#Cc1csc(CN2CCCCC[C@@H]2CCO)c1 ZINC000342827169 381571083 /nfs/dbraw/zinc/57/10/83/381571083.db2.gz VRSSBPRQBCCOMT-CYBMUJFWSA-N 0 3 264.394 2.747 20 30 CFEDHN C[C@H]1CCC[C@H](CN2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000355084554 381601496 /nfs/dbraw/zinc/60/14/96/381601496.db2.gz VMGAELIJAYNQNI-HOTGVXAUSA-N 0 3 298.434 2.902 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000342890255 381602033 /nfs/dbraw/zinc/60/20/33/381602033.db2.gz WIGGEFSENNPEOD-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000359738811 381589097 /nfs/dbraw/zinc/58/90/97/381589097.db2.gz JBYHQAUXRVSPBE-VBHSOAQHSA-N 0 3 295.386 2.940 20 30 CFEDHN N#Cc1csc(CNCCOc2ccccc2F)c1 ZINC000342862661 381592732 /nfs/dbraw/zinc/59/27/32/381592732.db2.gz UEGIGIJASQVDKS-UHFFFAOYSA-N 0 3 276.336 2.927 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1c(C)nnn1CC ZINC000414540703 381592978 /nfs/dbraw/zinc/59/29/78/381592978.db2.gz UVIJDAXNKKZOEF-MRXNPFEDSA-N 0 3 284.407 2.883 20 30 CFEDHN CC(C)C[C@@H](CO)N(C)Cc1ccc(F)c(C#N)c1 ZINC000185314452 381594933 /nfs/dbraw/zinc/59/49/33/381594933.db2.gz KCTOQQNPQPQCRE-AWEZNQCLSA-N 0 3 264.344 2.536 20 30 CFEDHN CCN1CC[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414551335 381596473 /nfs/dbraw/zinc/59/64/73/381596473.db2.gz OPELSRPSUOBDGD-CYBMUJFWSA-N 0 3 297.324 2.761 20 30 CFEDHN N#Cc1cccc(N2CCN(CCC3CCCC3)CC2)n1 ZINC000355095149 381608222 /nfs/dbraw/zinc/60/82/22/381608222.db2.gz IBQHOGJGUVFBEC-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CC#CCCCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000359782156 381610238 /nfs/dbraw/zinc/61/02/38/381610238.db2.gz CPBUAYRVIAUUNL-MRXNPFEDSA-N 0 3 290.382 2.738 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(C#N)c2F)[C@H]2CCO[C@@H]21 ZINC000355120443 381625657 /nfs/dbraw/zinc/62/56/57/381625657.db2.gz JVWKGKCWBMCRNV-YUELXQCFSA-N 0 3 274.339 2.600 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@H]1CCC[C@H]1O ZINC000348547056 381626247 /nfs/dbraw/zinc/62/62/47/381626247.db2.gz NZPJTJQAGUEGPH-LSDHHAIUSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CC1CCN(CCc2ccccc2C(=O)OC)CC1 ZINC000359861737 381647181 /nfs/dbraw/zinc/64/71/81/381647181.db2.gz ZLOKPFLBOKNUTL-UHFFFAOYSA-N 0 3 273.376 2.914 20 30 CFEDHN CN(Cc1ccc(Cl)cc1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000359860940 381647801 /nfs/dbraw/zinc/64/78/01/381647801.db2.gz XSPKYCWUZQBIPK-MRXNPFEDSA-N 0 3 289.810 2.880 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000355143272 381641387 /nfs/dbraw/zinc/64/13/87/381641387.db2.gz ZXYVQLFRSNEFIT-VCTAVGKDSA-N 0 3 276.355 2.846 20 30 CFEDHN CC[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)N(C)C ZINC000298486649 381646081 /nfs/dbraw/zinc/64/60/81/381646081.db2.gz ADWHHBZJJQXAAD-INIZCTEOSA-N 0 3 287.407 2.635 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000371545712 381655782 /nfs/dbraw/zinc/65/57/82/381655782.db2.gz WYNKEOGBZRTGKB-LBPRGKRZSA-N 0 3 271.339 2.994 20 30 CFEDHN C=CCc1cc(CN(CC)C[C@H](C)OC)cc(OC)c1O ZINC000291103045 381668648 /nfs/dbraw/zinc/66/86/48/381668648.db2.gz RPHAGFXMPRXCSA-ZDUSSCGKSA-N 0 3 293.407 2.986 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000185571039 381669196 /nfs/dbraw/zinc/66/91/96/381669196.db2.gz AJTGGXXEZSGVTI-KRWDZBQOSA-N 0 3 298.430 2.817 20 30 CFEDHN Cc1c(Cl)cnc(N2CC[C@@H](N3CCCC3)C2)c1C#N ZINC000371690723 381681492 /nfs/dbraw/zinc/68/14/92/381681492.db2.gz ZCYHWFBBFBUARB-GFCCVEGCSA-N 0 3 290.798 2.590 20 30 CFEDHN Cc1ccccc1NC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1 ZINC000359926120 381682634 /nfs/dbraw/zinc/68/26/34/381682634.db2.gz UMWOXLPSOBMING-LBPRGKRZSA-N 0 3 296.286 2.544 20 30 CFEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000185640047 381691357 /nfs/dbraw/zinc/69/13/57/381691357.db2.gz FTLYILFETVNOCA-IUODEOHRSA-N 0 3 271.364 2.617 20 30 CFEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000185640105 381691634 /nfs/dbraw/zinc/69/16/34/381691634.db2.gz FTLYILFETVNOCA-WFASDCNBSA-N 0 3 271.364 2.617 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291263916 381728967 /nfs/dbraw/zinc/72/89/67/381728967.db2.gz NFCVOINXSZJJHZ-MRXNPFEDSA-N 0 3 283.375 2.895 20 30 CFEDHN Cc1nc(N(C)C[C@H]2CCCN(C)C2)c(Cl)cc1C#N ZINC000360048438 381749616 /nfs/dbraw/zinc/74/96/16/381749616.db2.gz VBALGSOZTGIJBA-LBPRGKRZSA-N 0 3 292.814 2.693 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000185838201 381752131 /nfs/dbraw/zinc/75/21/31/381752131.db2.gz CYZZCIJYETWMKG-NVXWUHKLSA-N 0 3 298.430 2.815 20 30 CFEDHN Cc1ccnc(N[C@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000343544954 381785631 /nfs/dbraw/zinc/78/56/31/381785631.db2.gz ZBEDFAFXFGSBBH-GXTWGEPZSA-N 0 3 272.396 2.794 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000355606983 381785944 /nfs/dbraw/zinc/78/59/44/381785944.db2.gz YUSMTZJJVMMULZ-KGLIPLIRSA-N 0 3 293.411 2.974 20 30 CFEDHN C[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N(C)C1CC1 ZINC000355615707 381787225 /nfs/dbraw/zinc/78/72/25/381787225.db2.gz ACONOJZDHKJDQH-ZBFHGGJFSA-N 0 3 299.418 2.673 20 30 CFEDHN CC[C@H](c1cccc(OC)c1)N(C)C(=O)C(C)C#N ZINC000360721388 381788526 /nfs/dbraw/zinc/78/85/26/381788526.db2.gz KUDAHQBNRMRYEH-BXUZGUMPSA-N 0 3 260.337 2.764 20 30 CFEDHN CC/C=C/CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292180412 381793501 /nfs/dbraw/zinc/79/35/01/381793501.db2.gz MKEAKGPZRQWKQW-NHZBNJEXSA-N 0 3 271.364 2.763 20 30 CFEDHN CC#CCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000185988184 381797591 /nfs/dbraw/zinc/79/75/91/381797591.db2.gz HXOHEWVGWJONSK-UHFFFAOYSA-N 0 3 299.418 2.608 20 30 CFEDHN CC#CCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000360142981 381766714 /nfs/dbraw/zinc/76/67/14/381766714.db2.gz YWXUXZRGSFHELK-QFBILLFUSA-N 0 3 299.462 2.946 20 30 CFEDHN C=CCN(CCOc1ccccc1C(=O)OC)C1CC1 ZINC000360211749 381772507 /nfs/dbraw/zinc/77/25/07/381772507.db2.gz GGHUSMWIQFXRKV-UHFFFAOYSA-N 0 3 275.348 2.502 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC2(C#N)CC2)C1 ZINC000361375845 381824148 /nfs/dbraw/zinc/82/41/48/381824148.db2.gz FQPGQEQLPMVZNI-QXSJWSMHSA-N 0 3 276.424 2.942 20 30 CFEDHN C=CCN1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000361402627 381825517 /nfs/dbraw/zinc/82/55/17/381825517.db2.gz KCHCYAHUPZRDPQ-UHFFFAOYSA-N 0 3 273.376 2.914 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@](C)(OC)CC1 ZINC000361426386 381830247 /nfs/dbraw/zinc/83/02/47/381830247.db2.gz RTMZGHPNKFYMNH-NVXWUHKLSA-N 0 3 296.455 2.691 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361465620 381832012 /nfs/dbraw/zinc/83/20/12/381832012.db2.gz DKAOHSUAIXXURZ-CJNGLKHVSA-N 0 3 279.428 2.551 20 30 CFEDHN COCCOc1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000361465984 381833519 /nfs/dbraw/zinc/83/35/19/381833519.db2.gz YNXHYBGTSDJWRQ-ZBFHGGJFSA-N 0 3 288.391 2.884 20 30 CFEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000361510926 381837587 /nfs/dbraw/zinc/83/75/87/381837587.db2.gz MUQNHYZVZUBBQA-RRFJBIMHSA-N 0 3 253.386 2.611 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1O ZINC000356320876 381841994 /nfs/dbraw/zinc/84/19/94/381841994.db2.gz PFOFEHONIMPXKO-KGLIPLIRSA-N 0 3 298.308 2.922 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361547123 381842901 /nfs/dbraw/zinc/84/29/01/381842901.db2.gz DUGVQEMGBPOMAP-ZIAGYGMSSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCN(CCN1CCCOCC1)Cc1ccccc1F ZINC000361296002 381818819 /nfs/dbraw/zinc/81/88/19/381818819.db2.gz HRIHXTFMLFXCFN-UHFFFAOYSA-N 0 3 292.398 2.536 20 30 CFEDHN C[C@@H]1[C@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000416103377 381878251 /nfs/dbraw/zinc/87/82/51/381878251.db2.gz CDYMYWAQLZSHBN-WVZRYYJFSA-N 0 3 295.386 2.743 20 30 CFEDHN C[C@H](C#N)CN(C(=O)C[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000416179292 381881050 /nfs/dbraw/zinc/88/10/50/381881050.db2.gz MHBCDOMMNJYXBA-PBHICJAKSA-N 0 3 299.418 2.830 20 30 CFEDHN C[C@@H](C#N)CN(C(=O)C[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000416179295 381881660 /nfs/dbraw/zinc/88/16/60/381881660.db2.gz MHBCDOMMNJYXBA-YOEHRIQHSA-N 0 3 299.418 2.830 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H](CC)c2ccccc2)C1=O ZINC000343628732 381854308 /nfs/dbraw/zinc/85/43/08/381854308.db2.gz WWPFXERPYKKPIR-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN CN(C)CCN(Cc1cccc(C#N)c1)Cc1ccccn1 ZINC000349318969 381886339 /nfs/dbraw/zinc/88/63/39/381886339.db2.gz SFPWJIVWDYMMOR-UHFFFAOYSA-N 0 3 294.402 2.517 20 30 CFEDHN C[C@H](F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000356712035 381860846 /nfs/dbraw/zinc/86/08/46/381860846.db2.gz BYDDJOKKOBBANM-GXTWGEPZSA-N 0 3 262.328 2.623 20 30 CFEDHN CC1(C)CCC[C@]1(O)CNCc1ccc(C#N)s1 ZINC000292860058 381868666 /nfs/dbraw/zinc/86/86/66/381868666.db2.gz CJTVKINNAARYBL-AWEZNQCLSA-N 0 3 264.394 2.651 20 30 CFEDHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000299250856 381873221 /nfs/dbraw/zinc/87/32/21/381873221.db2.gz RJOLNNWRCAOQJD-KBOKABMXSA-N 0 3 299.418 2.664 20 30 CFEDHN COC[C@@H](C)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362104114 381914494 /nfs/dbraw/zinc/91/44/94/381914494.db2.gz BRBMIUKLRPHYRU-CYBMUJFWSA-N 0 3 256.349 2.682 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000292890273 381887876 /nfs/dbraw/zinc/88/78/76/381887876.db2.gz UZMFRNSQFBCZQO-LLVKDONJSA-N 0 3 252.745 2.921 20 30 CFEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000299460833 381950536 /nfs/dbraw/zinc/95/05/36/381950536.db2.gz ZIQGHIRMJNFQMC-AWEZNQCLSA-N 0 3 287.407 2.541 20 30 CFEDHN C[C@H](CN[C@H]1CCC[C@@H]1C#N)CC1CCOCC1 ZINC000350353885 382011182 /nfs/dbraw/zinc/01/11/82/382011182.db2.gz JZDHLTMLGLNAIL-CFVMTHIKSA-N 0 3 250.386 2.721 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000349805366 381991793 /nfs/dbraw/zinc/99/17/93/381991793.db2.gz VMKYSKWNXAVULH-JSGCOSHPSA-N 0 3 284.338 2.793 20 30 CFEDHN Cn1cc(-c2cccc(CN[C@@H]3CC[C@H](C#N)C3)c2)cn1 ZINC000349805380 381991895 /nfs/dbraw/zinc/99/18/95/381991895.db2.gz VNISCIXJQGOLGP-SUMWQHHRSA-N 0 3 280.375 2.869 20 30 CFEDHN C=CCOc1ccc(CN(C)CCOC)cc1Cl ZINC000349816109 381993417 /nfs/dbraw/zinc/99/34/17/381993417.db2.gz JRXOMICVRUFLMQ-UHFFFAOYSA-N 0 3 269.772 2.983 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@](C)(CC)C1 ZINC000362384886 382041300 /nfs/dbraw/zinc/04/13/00/382041300.db2.gz NGZLULZYFWUUAB-INIZCTEOSA-N 0 3 264.413 2.699 20 30 CFEDHN CN(C)c1ccc(C2=CCN(CCCC#N)C2)cc1 ZINC000374323298 382043741 /nfs/dbraw/zinc/04/37/41/382043741.db2.gz HFVPILINJAPZOB-UHFFFAOYSA-N 0 3 255.365 2.755 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000374322826 382044151 /nfs/dbraw/zinc/04/41/51/382044151.db2.gz XGCXWWUYNYAQJI-AWEZNQCLSA-N 0 3 286.375 2.732 20 30 CFEDHN C=CCSc1ccccc1C(=O)NCCN(C)C1CC1 ZINC000362388566 382044866 /nfs/dbraw/zinc/04/48/66/382044866.db2.gz HMKFXRBSEIGVMA-UHFFFAOYSA-N 0 3 290.432 2.789 20 30 CFEDHN C=C(C)CCN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000351844441 382065795 /nfs/dbraw/zinc/06/57/95/382065795.db2.gz KTQULPOXWXHJOA-UHFFFAOYSA-N 0 3 278.371 2.730 20 30 CFEDHN C=C(C)CCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000351854719 382067174 /nfs/dbraw/zinc/06/71/74/382067174.db2.gz HBPKWIKZFCXBEO-UHFFFAOYSA-N 0 3 288.439 2.997 20 30 CFEDHN C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC(C)(C)C1 ZINC000344067481 382105089 /nfs/dbraw/zinc/10/50/89/382105089.db2.gz PMSQNOKHXVUIDU-CQSZACIVSA-N 0 3 299.418 2.542 20 30 CFEDHN CC#CCCN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000376020536 382116413 /nfs/dbraw/zinc/11/64/13/382116413.db2.gz WBAZNABXFHCTHD-UHFFFAOYSA-N 0 3 271.404 2.778 20 30 CFEDHN CC(C)(CCC#N)CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000376021597 382116515 /nfs/dbraw/zinc/11/65/15/382116515.db2.gz NYKFHVMADSCURA-MRXNPFEDSA-N 0 3 280.412 2.586 20 30 CFEDHN CC[C@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCOC2)O1 ZINC000376021521 382116800 /nfs/dbraw/zinc/11/68/00/382116800.db2.gz MXQNSDVOYDUNHN-GOEBONIOSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000376305476 382128938 /nfs/dbraw/zinc/12/89/38/382128938.db2.gz QRHWDIDCUFIBBN-RCBQFDQVSA-N 0 3 290.382 2.742 20 30 CFEDHN C=C(C)CN(C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000375360479 382081920 /nfs/dbraw/zinc/08/19/20/382081920.db2.gz GAZVZCHNQGXFGX-SFHVURJKSA-N 0 3 288.435 2.785 20 30 CFEDHN CC(C#N)C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000362463193 382084226 /nfs/dbraw/zinc/08/42/26/382084226.db2.gz GBUNUULWZQIHES-MWLCHTKSSA-N 0 3 270.254 2.608 20 30 CFEDHN C[C@@H](C#N)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375471602 382089311 /nfs/dbraw/zinc/08/93/11/382089311.db2.gz RBJHRMCFKPJGGX-NUEKZKHPSA-N 0 3 257.381 2.571 20 30 CFEDHN CCCCCCCCN1CCc2c(ncn(CC)c2=O)C1 ZINC000375675163 382096273 /nfs/dbraw/zinc/09/62/73/382096273.db2.gz UTECTTQRYSTNJF-UHFFFAOYSA-N 0 3 291.439 2.982 20 30 CFEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000293368006 382097670 /nfs/dbraw/zinc/09/76/70/382097670.db2.gz VDQZXDQGFWLKRR-UHFFFAOYSA-N 0 3 296.361 2.788 20 30 CFEDHN CN(C)C1(CN(C)C(=O)Nc2cccc(C#N)c2)CCC1 ZINC000187435405 382182618 /nfs/dbraw/zinc/18/26/18/382182618.db2.gz UZJWNTBSXMMLTI-UHFFFAOYSA-N 0 3 286.379 2.506 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000357385751 382145230 /nfs/dbraw/zinc/14/52/30/382145230.db2.gz XNIPESFKJGESHM-FMKPAKJESA-N 0 3 279.428 2.551 20 30 CFEDHN COc1ccc(CN(C)CCc2ccccc2O)cc1C#N ZINC000344157213 382167418 /nfs/dbraw/zinc/16/74/18/382167418.db2.gz CISTVAPHEGYTIP-UHFFFAOYSA-N 0 3 296.370 2.947 20 30 CFEDHN N#Cc1ccc(CN[C@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000377023495 382203786 /nfs/dbraw/zinc/20/37/86/382203786.db2.gz ADESHBSIBHSKQF-IEBWSBKVSA-N 0 3 292.382 2.944 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@](C)(CC)C1 ZINC000344225811 382210789 /nfs/dbraw/zinc/21/07/89/382210789.db2.gz YNZCILOCBWJHIE-HOCLYGCPSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000357530815 382210969 /nfs/dbraw/zinc/21/09/69/382210969.db2.gz ZAJXIOMGYLDRDN-RWMBFGLXSA-N 0 3 279.384 2.583 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000352189057 382215704 /nfs/dbraw/zinc/21/57/04/382215704.db2.gz BMVXRZBZRGHRHN-HNNXBMFYSA-N 0 3 273.380 2.858 20 30 CFEDHN CC[C@H]1[C@@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000187580958 382216128 /nfs/dbraw/zinc/21/61/28/382216128.db2.gz JUTNYSGCIIYLKT-WFASDCNBSA-N 0 3 268.364 2.826 20 30 CFEDHN CC[C@@H]1[C@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000187580898 382216739 /nfs/dbraw/zinc/21/67/39/382216739.db2.gz JUTNYSGCIIYLKT-IUODEOHRSA-N 0 3 268.364 2.826 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@@H](C)CN(C)C(C)C)c1 ZINC000357548739 382221430 /nfs/dbraw/zinc/22/14/30/382221430.db2.gz ONNKCLNZXGBXTB-LBPRGKRZSA-N 0 3 273.380 2.901 20 30 CFEDHN CC1(C)CCC[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000419294909 382276329 /nfs/dbraw/zinc/27/63/29/382276329.db2.gz WJKGDCSIKUFWAD-HOCLYGCPSA-N 0 3 299.418 2.891 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncncc2Cl)CC1 ZINC000302608300 382276471 /nfs/dbraw/zinc/27/64/71/382276471.db2.gz DOVPLHMLLSOOJM-UHFFFAOYSA-N 0 3 266.776 2.582 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)[C@@H]1CC1(C)C ZINC000419320221 382284296 /nfs/dbraw/zinc/28/42/96/382284296.db2.gz PSLDILKRAGTEDO-NWDGAFQWSA-N 0 3 291.420 2.973 20 30 CFEDHN Cc1cccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000345107961 382285739 /nfs/dbraw/zinc/28/57/39/382285739.db2.gz DWHGGSBOJGTSLO-LSDHHAIUSA-N 0 3 299.418 2.905 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3c(F)cccc23)CC1 ZINC000302664004 382285985 /nfs/dbraw/zinc/28/59/85/382285985.db2.gz IYIYBCNQSXEWJZ-UHFFFAOYSA-N 0 3 286.354 2.831 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CCC(N)=O)C1 ZINC000187664030 382238970 /nfs/dbraw/zinc/23/89/70/382238970.db2.gz FDJQLGDHZGLAES-UONOGXRCSA-N 0 3 285.391 2.597 20 30 CFEDHN CCN1CCc2c(cccc2NCc2cc(C#N)n(C)c2)C1 ZINC000377236101 382239398 /nfs/dbraw/zinc/23/93/98/382239398.db2.gz DQNWIIWIZLQWHF-UHFFFAOYSA-N 0 3 294.402 2.887 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](OC)CC1 ZINC000377241251 382241113 /nfs/dbraw/zinc/24/11/13/382241113.db2.gz QCHYSHUIBXFNQX-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN Cc1cccc(NC2CCN(CCCC#N)CC2)n1 ZINC000363658639 382242145 /nfs/dbraw/zinc/24/21/45/382242145.db2.gz AKQTXZLMTAXIOO-UHFFFAOYSA-N 0 3 258.369 2.570 20 30 CFEDHN COCCOC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187689442 382247849 /nfs/dbraw/zinc/24/78/49/382247849.db2.gz DNVSUYDZBOWLKI-CQSZACIVSA-N 0 3 288.391 2.747 20 30 CFEDHN C[C@H](NCc1ccc(OCCO)cc1)c1ccc(C#N)cc1 ZINC000344287856 382253238 /nfs/dbraw/zinc/25/32/38/382253238.db2.gz JCBVYBKDSAMGSA-AWEZNQCLSA-N 0 3 296.370 2.780 20 30 CFEDHN C[C@@H](NCc1ccc(OCCO)cc1)c1ccc(C#N)cc1 ZINC000344287857 382253674 /nfs/dbraw/zinc/25/36/74/382253674.db2.gz JCBVYBKDSAMGSA-CQSZACIVSA-N 0 3 296.370 2.780 20 30 CFEDHN N#Cc1cccc(CN2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293731477 382254811 /nfs/dbraw/zinc/25/48/11/382254811.db2.gz UWOPAMMUOMUIQX-QGZVFWFLSA-N 0 3 282.387 2.949 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000344684320 382272099 /nfs/dbraw/zinc/27/20/99/382272099.db2.gz CCTXKRVPCFVUGS-AWEZNQCLSA-N 0 3 291.439 2.697 20 30 CFEDHN COCC#CCN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000680435779 542325071 /nfs/dbraw/zinc/32/50/71/542325071.db2.gz JAHXKAIFYPDKAY-DLBZAZTESA-N 0 3 291.366 2.627 20 30 CFEDHN C=C(C)CCN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000352399778 382308811 /nfs/dbraw/zinc/30/88/11/382308811.db2.gz BGRLCQBZBRNDSD-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN Cc1ncccc1OC[C@@H]1CCCN1CCCC#N ZINC000419385886 382308778 /nfs/dbraw/zinc/30/87/78/382308778.db2.gz HVDYZQGSZODUDH-AWEZNQCLSA-N 0 3 259.353 2.537 20 30 CFEDHN CC#CCCN1CCC[C@@H]1COc1cccnc1C ZINC000419393109 382315798 /nfs/dbraw/zinc/31/57/98/382315798.db2.gz PHCKBHXWCSWYRE-OAHLLOKOSA-N 0 3 258.365 2.647 20 30 CFEDHN CCCC[C@H](C)N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000352413659 382317143 /nfs/dbraw/zinc/31/71/43/382317143.db2.gz BGWLKPHZWVEZNA-KBPBESRZSA-N 0 3 267.417 2.505 20 30 CFEDHN COc1ccc([C@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000357786162 382321019 /nfs/dbraw/zinc/32/10/19/382321019.db2.gz ABABYYUBBITJSP-BXUZGUMPSA-N 0 3 260.337 2.668 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000188011723 382324627 /nfs/dbraw/zinc/32/46/27/382324627.db2.gz FEWPNLSBQHKCJH-DYVFJYSZSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1Cl ZINC000345993510 382327052 /nfs/dbraw/zinc/32/70/52/382327052.db2.gz NKCHHJUGLZGJHH-SNVBAGLBSA-N 0 3 287.706 2.629 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000346065207 382330446 /nfs/dbraw/zinc/33/04/46/382330446.db2.gz YJSCAVUSGDLNRR-JKSUJKDBSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000680485268 542330669 /nfs/dbraw/zinc/33/06/69/542330669.db2.gz XIKQABZUYBZJLW-GFCCVEGCSA-N 0 3 289.297 2.654 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CC2(CCOCC2)O1 ZINC000363931696 262039081 /nfs/dbraw/zinc/03/90/81/262039081.db2.gz DKANXWIVTCNDQK-CQSZACIVSA-N 0 3 280.412 2.586 20 30 CFEDHN CN(Cc1ccccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000365477531 382398747 /nfs/dbraw/zinc/39/87/47/382398747.db2.gz ICWJFNPZENLZFX-ARFHVFGLSA-N 0 3 270.376 2.804 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000378063314 382393743 /nfs/dbraw/zinc/39/37/43/382393743.db2.gz WIYVVJQYDVLHDA-IAGOWNOFSA-N 0 3 282.387 2.856 20 30 CFEDHN CCCN(Cc1ccc(F)cc1C#N)CC(C)(C)O ZINC000357968915 382395327 /nfs/dbraw/zinc/39/53/27/382395327.db2.gz DJYHNWQMNNHOAW-UHFFFAOYSA-N 0 3 264.344 2.680 20 30 CFEDHN Cc1nc(C2CCN(CCCC(C)(C)C#N)CC2)no1 ZINC000365725110 382434578 /nfs/dbraw/zinc/43/45/78/382434578.db2.gz SJZCZFGZXUTBPD-UHFFFAOYSA-N 0 3 276.384 2.887 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@@H]1O ZINC000352661905 382439557 /nfs/dbraw/zinc/43/95/57/382439557.db2.gz VLBUHHCYOOZPHE-CABCVRRESA-N 0 3 297.320 2.902 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCC[C@H]1O ZINC000352667512 382442308 /nfs/dbraw/zinc/44/23/08/382442308.db2.gz KXIPAQRHDOWFKP-CHWSQXEVSA-N 0 3 296.317 2.505 20 30 CFEDHN C=CCN(CCOCC(F)(F)C(F)F)C1CC1 ZINC000346553888 382410105 /nfs/dbraw/zinc/41/01/05/382410105.db2.gz WHFUZWGPSGIWRG-UHFFFAOYSA-N 0 3 255.255 2.554 20 30 CFEDHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CC(C)(C)C#N ZINC000365993175 382470346 /nfs/dbraw/zinc/47/03/46/382470346.db2.gz ZRBXPWPKMVDULF-WBVHZDCISA-N 0 3 299.418 2.660 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000365915918 382457791 /nfs/dbraw/zinc/45/77/91/382457791.db2.gz QMAVQLVHOWGGSP-INIZCTEOSA-N 0 3 295.361 2.571 20 30 CFEDHN CCN(CC1CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000358166542 382481250 /nfs/dbraw/zinc/48/12/50/382481250.db2.gz JXEDUGKMANDVAJ-QGZVFWFLSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cncs1 ZINC000358167170 382481498 /nfs/dbraw/zinc/48/14/98/382481498.db2.gz ANEMYELHUPOGKI-LLVKDONJSA-N 0 3 273.361 2.744 20 30 CFEDHN C[C@@H](C[C@H]1CCCO1)NCc1ccc(C#N)cc1F ZINC000358175764 382487994 /nfs/dbraw/zinc/48/79/94/382487994.db2.gz MWGFJHCTRKIOMV-SMDDNHRTSA-N 0 3 262.328 2.745 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)c(F)c1 ZINC000309559253 382488673 /nfs/dbraw/zinc/48/86/73/382488673.db2.gz KOEIJFDKGBQVPS-WCBMZHEXSA-N 0 3 288.160 2.786 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](Cc1ccccc1)C1CC1 ZINC000353034557 382490434 /nfs/dbraw/zinc/49/04/34/382490434.db2.gz RLULWTYNOWYZEP-GOSISDBHSA-N 0 3 298.430 2.798 20 30 CFEDHN CC#CCCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366532984 382525171 /nfs/dbraw/zinc/52/51/71/382525171.db2.gz GORRZLCDNZUBPD-CABCVRRESA-N 0 3 292.423 2.731 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCC#N)CC[C@@H]21 ZINC000366537451 382527110 /nfs/dbraw/zinc/52/71/10/382527110.db2.gz XYLSJPWJTKSORX-KGLIPLIRSA-N 0 3 293.411 2.621 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000420962841 382500486 /nfs/dbraw/zinc/50/04/86/382500486.db2.gz LRPZHDBZUWWIFZ-GOEBONIOSA-N 0 3 291.439 2.507 20 30 CFEDHN CCN(CCOCCC#N)CCOc1ccccc1C ZINC000420978942 382503563 /nfs/dbraw/zinc/50/35/63/382503563.db2.gz XXRSTZRCFNDGQS-UHFFFAOYSA-N 0 3 276.380 2.626 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000421021543 382507286 /nfs/dbraw/zinc/50/72/86/382507286.db2.gz OLTPDCJERRJNAT-CBBWQLFWSA-N 0 3 292.423 2.978 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)C[C@H](CO)C2)c1 ZINC000421361220 382513081 /nfs/dbraw/zinc/51/30/81/382513081.db2.gz KOKKJNNFIXAQDD-ZBFHGGJFSA-N 0 3 275.392 2.702 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H](C)[C@H](C)OC)cc1 ZINC000189125747 382549516 /nfs/dbraw/zinc/54/95/16/382549516.db2.gz VAQKETBHSMJWQG-KBPBESRZSA-N 0 3 261.365 2.602 20 30 CFEDHN C[C@@H](C(=O)N[C@H]1CCC(=O)N[C@H]1C)N1[C@H](C)CC[C@@H]1C ZINC000328608754 382553593 /nfs/dbraw/zinc/55/35/93/382553593.db2.gz MBVLRNBGAQUSKM-PPCPHDFISA-N 0 3 281.400 2.712 20 30 CFEDHN C=C(C)COCCN[C@H](Cc1ccccn1)c1cccnc1 ZINC000358305541 382558964 /nfs/dbraw/zinc/55/89/64/382558964.db2.gz VFYAFYSCXGRFPI-GOSISDBHSA-N 0 3 297.402 2.943 20 30 CFEDHN CCCOc1ccc(C(C)(C)NC(=O)C(C)C#N)cc1 ZINC000358332561 382572523 /nfs/dbraw/zinc/57/25/23/382572523.db2.gz DOIULIKUPVDEKH-LBPRGKRZSA-N 0 3 274.364 2.986 20 30 CFEDHN CN(CCN[C@@H]1CCc2ccc(C#N)cc21)CC(F)(F)F ZINC000353255730 382530946 /nfs/dbraw/zinc/53/09/46/382530946.db2.gz OBAMGGMKXMZZEQ-CQSZACIVSA-N 0 3 297.324 2.629 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000358362327 382587754 /nfs/dbraw/zinc/58/77/54/382587754.db2.gz BZTLTAQPAYBXBW-RDJZCZTQSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295243622 382597083 /nfs/dbraw/zinc/59/70/83/382597083.db2.gz SYTIUXOTGFKCAN-UMVBOHGHSA-N 0 3 261.365 2.907 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C)CC2(C)C)cc1 ZINC000353699774 382609758 /nfs/dbraw/zinc/60/97/58/382609758.db2.gz BODBKIHCGCEXHD-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000295304672 382612676 /nfs/dbraw/zinc/61/26/76/382612676.db2.gz KIKFQNISPKMXLB-HOCLYGCPSA-N 0 3 286.419 2.835 20 30 CFEDHN CN(C)Cc1cccc(NCc2cc(C#N)n(C)c2)c1 ZINC000189583200 382627028 /nfs/dbraw/zinc/62/70/28/382627028.db2.gz LPCIWHROOMSWMR-UHFFFAOYSA-N 0 3 268.364 2.570 20 30 CFEDHN CC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(C)cc1 ZINC000346945142 382579951 /nfs/dbraw/zinc/57/99/51/382579951.db2.gz NCIAEVSOXXMZSS-HNNXBMFYSA-N 0 3 285.391 2.598 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN(C)Cc1ccccc1 ZINC000190968241 382686995 /nfs/dbraw/zinc/68/69/95/382686995.db2.gz VZJJKCUIOCLWRP-KRWDZBQOSA-N 0 3 274.408 2.837 20 30 CFEDHN C[C@H]1CC[C@@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000190381826 382665187 /nfs/dbraw/zinc/66/51/87/382665187.db2.gz ZMKSJEUWYIXGEH-RDJZCZTQSA-N 0 3 299.418 2.638 20 30 CFEDHN Cc1ccc(CNCc2cc(C#N)n(C)c2)c(C)c1 ZINC000190792067 382680810 /nfs/dbraw/zinc/68/08/10/382680810.db2.gz DFXYFHIHZZFXIS-UHFFFAOYSA-N 0 3 253.349 2.803 20 30 CFEDHN Cc1cccc(C)c1OCCNCc1cc(C#N)n(C)c1 ZINC000190833441 382681755 /nfs/dbraw/zinc/68/17/55/382681755.db2.gz BOPYMNOLZGSYKL-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN CCC(C)(C)NC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399315226 382638701 /nfs/dbraw/zinc/63/87/01/382638701.db2.gz VMQOXNBVHUZXFA-ZDUSSCGKSA-N 0 3 279.428 2.695 20 30 CFEDHN CN(CCCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191232723 382696619 /nfs/dbraw/zinc/69/66/19/382696619.db2.gz DUXXHDJPKQQILU-UHFFFAOYSA-N 0 3 267.376 2.961 20 30 CFEDHN CO[C@]1(C)C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434674 382700380 /nfs/dbraw/zinc/70/03/80/382700380.db2.gz POGHMMLOVIDMAI-GOEBONIOSA-N 0 3 275.396 2.532 20 30 CFEDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1ccc(C#N)cc1 ZINC000191860198 382702962 /nfs/dbraw/zinc/70/29/62/382702962.db2.gz PQDVJKQVIXBHOK-AWEZNQCLSA-N 0 3 271.364 2.665 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000192775004 382712082 /nfs/dbraw/zinc/71/20/82/382712082.db2.gz UUWULSDJORXSSH-IINYFYTJSA-N 0 3 289.379 2.875 20 30 CFEDHN C#CCSCCNCc1cnc(-c2ccco2)s1 ZINC000193120381 382716167 /nfs/dbraw/zinc/71/61/67/382716167.db2.gz GSPNGWHLPHOSIG-UHFFFAOYSA-N 0 3 278.402 2.859 20 30 CFEDHN C=CCCCCCN1CCN(Cc2cc(C)on2)CC1 ZINC000193292382 382718297 /nfs/dbraw/zinc/71/82/97/382718297.db2.gz ZLKMVIHKAMMVID-UHFFFAOYSA-N 0 3 277.412 2.847 20 30 CFEDHN C[C@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000194007438 382732332 /nfs/dbraw/zinc/73/23/32/382732332.db2.gz ZAEFPLHCRCJCOL-JQWIXIFHSA-N 0 3 277.393 2.727 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000337123747 382763543 /nfs/dbraw/zinc/76/35/43/382763543.db2.gz CDSSPJCBIWCABQ-SJORKVTESA-N 0 3 284.403 2.919 20 30 CFEDHN CC(C)C[C@@H]1COCCN1CCCC1(C#N)CCOCC1 ZINC000337134918 382765817 /nfs/dbraw/zinc/76/58/17/382765817.db2.gz BOTOVJZZUKVUFJ-MRXNPFEDSA-N 0 3 294.439 2.834 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2CCc2ccccc2)C1=O ZINC000337136231 382766087 /nfs/dbraw/zinc/76/60/87/382766087.db2.gz NALLVBKZEGSGDW-MSOLQXFVSA-N 0 3 298.430 2.871 20 30 CFEDHN N#Cc1ccc(CNCCc2cccc3[nH]ccc32)o1 ZINC000337285878 382793847 /nfs/dbraw/zinc/79/38/47/382793847.db2.gz LWIHNHBBPNOYNW-UHFFFAOYSA-N 0 3 265.316 2.965 20 30 CFEDHN C=CCN1CC[C@H](N(C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000337152306 382768466 /nfs/dbraw/zinc/76/84/66/382768466.db2.gz KRMDVIPLUSSBMP-ROUUACIJSA-N 0 3 296.414 2.925 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@](C)(CCC)C2)C1=O ZINC000337167324 382770415 /nfs/dbraw/zinc/77/04/15/382770415.db2.gz CJLMOUJVGOVALD-ZBFHGGJFSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)[C@@H](C)C2)C1=O ZINC000337188582 382773558 /nfs/dbraw/zinc/77/35/58/382773558.db2.gz QJUPKAKWRZTQAD-SZMVWBNQSA-N 0 3 298.430 2.899 20 30 CFEDHN CC[C@]1(C)COCCN1CCCC1(C#N)CCOCC1 ZINC000337193613 382774476 /nfs/dbraw/zinc/77/44/76/382774476.db2.gz VPOGEGYJRXFCPQ-OAHLLOKOSA-N 0 3 280.412 2.588 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(C(C)(C)C)CC2)C1=O ZINC000337200782 382775708 /nfs/dbraw/zinc/77/57/08/382775708.db2.gz ZZPLMTPUCGWQBV-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](c3cc(C)cc(C)c3)C2)C1=O ZINC000337205624 382776704 /nfs/dbraw/zinc/77/67/04/382776704.db2.gz KYOUVKGMUMBNPX-FUHWJXTLSA-N 0 3 298.430 2.880 20 30 CFEDHN C=CCCOCCNCc1ccc(OC)cc1CC ZINC000337241139 382783334 /nfs/dbraw/zinc/78/33/34/382783334.db2.gz FOHGERMSZOWWNO-UHFFFAOYSA-N 0 3 263.381 2.940 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@](C)(c3ccc(C)cc3)C2)C1=O ZINC000337259700 382788385 /nfs/dbraw/zinc/78/83/85/382788385.db2.gz VOIXQGCQLCZTHH-IEBWSBKVSA-N 0 3 298.430 2.745 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2OC(F)F)c(F)c1 ZINC000337270923 382790700 /nfs/dbraw/zinc/79/07/00/382790700.db2.gz BILNPDFNSWTCAO-OLZOCXBDSA-N 0 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CFEDHN C=C(C)COCCNCc1ccc(-c2cnn(C)c2)s1 ZINC000337829787 382869791 /nfs/dbraw/zinc/86/97/91/382869791.db2.gz VJDIYFSZTBBBMH-UHFFFAOYSA-N 0 3 291.420 2.831 20 30 CFEDHN COc1cc(CN(C)C[C@H]2CCCCO2)ccc1C#N ZINC000234925810 382875729 /nfs/dbraw/zinc/87/57/29/382875729.db2.gz LEMVDWXVSKYPCD-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCNC(=O)CN(CC)[C@H](CC)Cc1ccc(C)cc1 ZINC000441362307 382910773 /nfs/dbraw/zinc/91/07/73/382910773.db2.gz YJALGGBPSFJDHW-QGZVFWFLSA-N 0 3 288.435 2.940 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000494876636 382937385 /nfs/dbraw/zinc/93/73/85/382937385.db2.gz XQVJKGCMBSAWBA-HRCADAONSA-N 0 3 293.455 2.999 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000338160042 382938225 /nfs/dbraw/zinc/93/82/25/382938225.db2.gz FPVHITCNKJKIHL-UONOGXRCSA-N 0 3 299.418 2.717 20 30 CFEDHN Cc1cc(C)n(-c2ccc(CN[C@H]3CC[C@H](C#N)C3)cn2)n1 ZINC000442709989 382946781 /nfs/dbraw/zinc/94/67/81/382946781.db2.gz PGJSTVPAFQZKOB-HOCLYGCPSA-N 0 3 295.390 2.666 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)C1 ZINC000442711532 382948448 /nfs/dbraw/zinc/94/84/48/382948448.db2.gz SAIFBSJIUOBOJS-IAGOWNOFSA-N 0 3 280.375 2.713 20 30 CFEDHN C[C@H](COc1cccc(F)c1)N[C@H]1CC[C@@H](C#N)C1 ZINC000442718596 382949139 /nfs/dbraw/zinc/94/91/39/382949139.db2.gz PGMBOTFJKHHPQR-BZPMIXESSA-N 0 3 262.328 2.875 20 30 CFEDHN CCN(CC)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000442721846 382949476 /nfs/dbraw/zinc/94/94/76/382949476.db2.gz WBDDOVIHISCVBK-DZGCQCFKSA-N 0 3 272.396 2.710 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)C2(C#N)CC(C)C2)c1 ZINC000535419569 382954884 /nfs/dbraw/zinc/95/48/84/382954884.db2.gz WBUHIHULNGMZLM-UHFFFAOYSA-N 0 3 285.391 2.935 20 30 CFEDHN CCCCNC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442780847 382955460 /nfs/dbraw/zinc/95/54/60/382955460.db2.gz HDODRMPJYCKZPO-NVXWUHKLSA-N 0 3 299.418 2.998 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000442790028 382957637 /nfs/dbraw/zinc/95/76/37/382957637.db2.gz FTHDNPAQAZWQHZ-UPJWGTAASA-N 0 3 291.345 2.825 20 30 CFEDHN C=CCN(CCOC[C@H]1CCCO1)CCc1ccco1 ZINC000539816127 382962222 /nfs/dbraw/zinc/96/22/22/382962222.db2.gz KOXHGJHRLBMCPC-MRXNPFEDSA-N 0 3 279.380 2.506 20 30 CFEDHN C=C(CC)CNC1(C(=O)NCCC)CCCCC1 ZINC000540215827 382962632 /nfs/dbraw/zinc/96/26/32/382962632.db2.gz UMOVXBAKVYIWMI-UHFFFAOYSA-N 0 3 252.402 2.771 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1 ZINC000540402158 382963132 /nfs/dbraw/zinc/96/31/32/382963132.db2.gz FDFYDFMBVPETFU-CKEIUWERSA-N 0 3 287.407 2.780 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000540566132 382963283 /nfs/dbraw/zinc/96/32/83/382963283.db2.gz FMPNKFLNIADZBP-OAHLLOKOSA-N 0 3 281.444 2.857 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)Cc2cccc(C#N)c2F)C1 ZINC000495228187 382973843 /nfs/dbraw/zinc/97/38/43/382973843.db2.gz DAFHUWHAPHGEHT-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN CN(CCCCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000444677566 382976794 /nfs/dbraw/zinc/97/67/94/382976794.db2.gz WOLJCKQPTOUKGV-JTQLQIEISA-N 0 3 266.307 2.561 20 30 CFEDHN C=CCN(CC=C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000238399354 382980053 /nfs/dbraw/zinc/98/00/53/382980053.db2.gz QHEIXXGKWZQARW-LBPRGKRZSA-N 0 3 254.374 2.574 20 30 CFEDHN CC#CCCN1CCC[C@]1(CCC)C(=O)OCC ZINC000444779511 382980603 /nfs/dbraw/zinc/98/06/03/382980603.db2.gz YSBRXNBQQSDSET-OAHLLOKOSA-N 0 3 251.370 2.598 20 30 CFEDHN CC(C)(C)OC(=O)NC(C)(C)CN1CCC(CC#N)CC1 ZINC000495352235 382981927 /nfs/dbraw/zinc/98/19/27/382981927.db2.gz KEGUPVCUPIIGBU-UHFFFAOYSA-N 0 3 295.427 2.915 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](F)C2)CC1 ZINC000579116227 382983926 /nfs/dbraw/zinc/98/39/26/382983926.db2.gz LRPWCISTYQBVSB-HIFRSBDPSA-N 0 3 297.418 2.607 20 30 CFEDHN CC#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495405205 382985402 /nfs/dbraw/zinc/98/54/02/382985402.db2.gz ZXXPETLCGVVWPN-UONOGXRCSA-N 0 3 280.412 2.635 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCCC(C)(C)C1 ZINC000446062549 382987735 /nfs/dbraw/zinc/98/77/35/382987735.db2.gz QCYDRGKLQIWPKU-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@H]1CC[C@@H](C#N)C1 ZINC000495729288 383018816 /nfs/dbraw/zinc/01/88/16/383018816.db2.gz OBCALACWLQUBDD-CRWXNKLISA-N 0 3 293.411 2.666 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000245464683 383001918 /nfs/dbraw/zinc/00/19/18/383001918.db2.gz YAKYNGOUGFJFEV-BFYDXBDKSA-N 0 3 293.455 2.941 20 30 CFEDHN CCNC(=O)OC[C@H]1CCCCN1CCC(C)(C)C#N ZINC000495614934 383002468 /nfs/dbraw/zinc/00/24/68/383002468.db2.gz CZZIRUPWVJOFOX-CYBMUJFWSA-N 0 3 281.400 2.527 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)nc1 ZINC000579371190 383009361 /nfs/dbraw/zinc/00/93/61/383009361.db2.gz YDFODOMWZJVIJZ-KZNAEPCWSA-N 0 3 299.418 2.859 20 30 CFEDHN C#CCCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495689433 383014064 /nfs/dbraw/zinc/01/40/64/383014064.db2.gz TUCAEGCGKNFFQE-OAHLLOKOSA-N 0 3 278.396 2.533 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457082848 382965450 /nfs/dbraw/zinc/96/54/50/382965450.db2.gz FGCGWMXUEFEURP-ZFWWWQNUSA-N 0 3 252.402 2.530 20 30 CFEDHN N#CCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000541948149 382966911 /nfs/dbraw/zinc/96/69/11/382966911.db2.gz GVGLZORDRIFRDO-UHFFFAOYSA-N 0 3 289.335 2.599 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)s1 ZINC000245731842 383028450 /nfs/dbraw/zinc/02/84/50/383028450.db2.gz JXGDZSNIXLOKIN-FZMZJTMJSA-N 0 3 262.378 2.621 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC000338725551 383030862 /nfs/dbraw/zinc/03/08/62/383030862.db2.gz SUIBTUIYTOWEPK-ZFWWWQNUSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCCO[C@H](C)C2)cc1 ZINC000245747474 383030909 /nfs/dbraw/zinc/03/09/09/383030909.db2.gz NDDZCGBGYYELQB-ZIAGYGMSSA-N 0 3 274.364 2.588 20 30 CFEDHN C#CCCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495838417 383033871 /nfs/dbraw/zinc/03/38/71/383033871.db2.gz WKGHWAALYKPWRW-ZDUSSCGKSA-N 0 3 272.348 2.659 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000447975814 383037298 /nfs/dbraw/zinc/03/72/98/383037298.db2.gz ICBUMQUETBGOKS-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000245877947 383042896 /nfs/dbraw/zinc/04/28/96/383042896.db2.gz ATQZDLMWYTWBOP-ARFHVFGLSA-N 0 3 293.455 2.857 20 30 CFEDHN C[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000245888756 383044038 /nfs/dbraw/zinc/04/40/38/383044038.db2.gz JELHQISIPAJWFG-HUUCEWRRSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000245926578 383048927 /nfs/dbraw/zinc/04/89/27/383048927.db2.gz RNWDTSHHQNAKTI-QLFBSQMISA-N 0 3 281.444 2.713 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448255602 383050985 /nfs/dbraw/zinc/05/09/85/383050985.db2.gz JKGBTVQYXJLWGE-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000289756591 197472398 /nfs/dbraw/zinc/47/23/98/197472398.db2.gz LKAPTHGIZWGEAS-MFKMUULPSA-N 0 3 289.404 2.711 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000246092789 383061669 /nfs/dbraw/zinc/06/16/69/383061669.db2.gz KLVHBAYYAVICEP-UKRRQHHQSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000246132179 383063583 /nfs/dbraw/zinc/06/35/83/383063583.db2.gz VFPFVPWKQYLMCB-LSDHHAIUSA-N 0 3 278.440 2.991 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CCC2CCOCC2)CC1 ZINC000579909242 383064225 /nfs/dbraw/zinc/06/42/25/383064225.db2.gz MUXUVQZDMUGNQT-UHFFFAOYSA-N 0 3 299.418 2.755 20 30 CFEDHN CC[C@@H]1CCCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246156159 383064464 /nfs/dbraw/zinc/06/44/64/383064464.db2.gz GXYUEQOISWFVMU-GDBMZVCRSA-N 0 3 279.428 2.695 20 30 CFEDHN CC1(C)CN(Cc2cnc3c(C#N)cnn3c2)CC(C)(C)C1 ZINC000579953578 383069224 /nfs/dbraw/zinc/06/92/24/383069224.db2.gz UNKMPACRNONTFX-UHFFFAOYSA-N 0 3 297.406 2.859 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000246316224 383072260 /nfs/dbraw/zinc/07/22/60/383072260.db2.gz CVAQCLXUFXTNQP-INMHGKMJSA-N 0 3 299.418 2.625 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNCc1ccc(C#N)cc1F ZINC000447899190 383026469 /nfs/dbraw/zinc/02/64/69/383026469.db2.gz RHZCTYGRZBMASS-MRXNPFEDSA-N 0 3 289.398 2.907 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CCC(C)(C)C2CC2)CC1 ZINC000593968516 383123489 /nfs/dbraw/zinc/12/34/89/383123489.db2.gz OYFSZDCWCYZYIG-MRXNPFEDSA-N 0 3 277.456 2.978 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCC(C)(C)C#N ZINC000496949304 383128462 /nfs/dbraw/zinc/12/84/62/383128462.db2.gz LZWRCCPBLJLFBO-STQMWFEESA-N 0 3 295.427 2.914 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000497026578 383129132 /nfs/dbraw/zinc/12/91/32/383129132.db2.gz PFIRQDQVDSFRDU-ZIAGYGMSSA-N 0 3 295.427 2.867 20 30 CFEDHN C=C(C)CCN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000509261050 383147091 /nfs/dbraw/zinc/14/70/91/383147091.db2.gz AHVOGUPCCUNSDT-IHRRRGAJSA-N 0 3 251.370 2.759 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000619755288 383147176 /nfs/dbraw/zinc/14/71/76/383147176.db2.gz VZPDFRROUFSORQ-IINYFYTJSA-N 0 3 264.756 2.869 20 30 CFEDHN CC(C)C[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246558048 383081565 /nfs/dbraw/zinc/08/15/65/383081565.db2.gz NDIHJIWUWMIXCB-NVXWUHKLSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C)CC[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246585321 383083690 /nfs/dbraw/zinc/08/36/90/383083690.db2.gz CKIFAKQXNUGFGQ-DOTOQJQBSA-N 0 3 291.439 2.695 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)c1ccccc1 ZINC000448637580 383091797 /nfs/dbraw/zinc/09/17/97/383091797.db2.gz IPJADCKHIRFWTG-QGPMSJSTSA-N 0 3 299.418 2.735 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000448700864 383096893 /nfs/dbraw/zinc/09/68/93/383096893.db2.gz YMMMBSUYMDNVOL-OLZOCXBDSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(C3CC3)C2)CCCCC1 ZINC000448792667 383100354 /nfs/dbraw/zinc/10/03/54/383100354.db2.gz JDWYHGPXGBTCAC-CQSZACIVSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)C1CN(C2CCCCC2)C1 ZINC000457803009 383103109 /nfs/dbraw/zinc/10/31/09/383103109.db2.gz ZEPJFUGJEVFYBJ-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246795991 383105056 /nfs/dbraw/zinc/10/50/56/383105056.db2.gz SJDFDRRUHIEUFR-WMLDXEAASA-N 0 3 291.439 2.553 20 30 CFEDHN COCCN(Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000507152166 383145292 /nfs/dbraw/zinc/14/52/92/383145292.db2.gz PQVXCXRTJUQILA-UHFFFAOYSA-N 0 3 288.391 2.980 20 30 CFEDHN C=CCOc1ccc(CN(CCOC)C2CC2)cc1 ZINC000507169817 383145437 /nfs/dbraw/zinc/14/54/37/383145437.db2.gz XHUITGMHDHTRBT-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1n1ccnc1 ZINC000247438005 383172090 /nfs/dbraw/zinc/17/20/90/383172090.db2.gz IQFUBLBHNMWNNX-WMLDXEAASA-N 0 3 280.375 2.838 20 30 CFEDHN CC#CCCN1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000564916827 383174388 /nfs/dbraw/zinc/17/43/88/383174388.db2.gz UMXKIUOVBOKREC-KBPBESRZSA-N 0 3 265.397 2.700 20 30 CFEDHN C=CCCCCN1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000566050331 383183000 /nfs/dbraw/zinc/18/30/00/383183000.db2.gz ZLHGDGFRXJPXID-APIJFGDWSA-N 0 3 281.396 2.526 20 30 CFEDHN C=CC[C@H](CO)NCc1cnc(-c2ccccc2F)s1 ZINC000449237416 383185853 /nfs/dbraw/zinc/18/58/53/383185853.db2.gz NYUWBBPLJJQWGI-LLVKDONJSA-N 0 3 292.379 2.976 20 30 CFEDHN CC#CCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000517747870 383192154 /nfs/dbraw/zinc/19/21/54/383192154.db2.gz JNPVQXYPZMNKLI-LJQANCHMSA-N 0 3 298.430 2.961 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000424294131 383202896 /nfs/dbraw/zinc/20/28/96/383202896.db2.gz JVZHMBQBBOKBJJ-RBOXIYTFSA-N 0 3 274.339 2.939 20 30 CFEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248058543 383208851 /nfs/dbraw/zinc/20/88/51/383208851.db2.gz OSWPBADOBHOMRJ-DLBZAZTESA-N 0 3 299.418 2.815 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)c(Cl)c1)C(C)C ZINC000619755471 383147600 /nfs/dbraw/zinc/14/76/00/383147600.db2.gz YIBRWZVXPIQLIB-CQSZACIVSA-N 0 3 266.772 2.972 20 30 CFEDHN CC[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000247159013 383148725 /nfs/dbraw/zinc/14/87/25/383148725.db2.gz QISJYBZPIOAJBO-GDBMZVCRSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCCCCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000556226575 383150500 /nfs/dbraw/zinc/15/05/00/383150500.db2.gz KWFNMZIJQWMGBJ-GFCCVEGCSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1cccc(CC(C)C)c1 ZINC000556894478 383153266 /nfs/dbraw/zinc/15/32/66/383153266.db2.gz AZFSMCUESMOXJD-AWEZNQCLSA-N 0 3 274.408 2.838 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)CC[C@H]1C ZINC000247236247 383154958 /nfs/dbraw/zinc/15/49/58/383154958.db2.gz DITHYIOGJWGOGU-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000562381428 383156833 /nfs/dbraw/zinc/15/68/33/383156833.db2.gz JXPABYIKUBWWGN-GFCCVEGCSA-N 0 3 283.375 2.916 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2C[C@H]2OCC)ccc1OC ZINC000562467964 383157781 /nfs/dbraw/zinc/15/77/81/383157781.db2.gz SELDETUFJMEWSS-GDBMZVCRSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc2ccccc2nc1OC ZINC000562671168 383160832 /nfs/dbraw/zinc/16/08/32/383160832.db2.gz TUAQYJKKUOEGCR-OAHLLOKOSA-N 0 3 286.375 2.660 20 30 CFEDHN CN(C(=O)[C@H](N)CCCC#N)[C@H]1CCCc2ccccc21 ZINC000516046493 383162288 /nfs/dbraw/zinc/16/22/88/383162288.db2.gz MNWCPYHJIXUBLC-CVEARBPZSA-N 0 3 285.391 2.544 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1(CF)CCC1 ZINC000563195791 383166520 /nfs/dbraw/zinc/16/65/20/383166520.db2.gz QSDRNXDEAZKYBW-CQSZACIVSA-N 0 3 274.339 2.767 20 30 CFEDHN C=CC1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000247372740 383167637 /nfs/dbraw/zinc/16/76/37/383167637.db2.gz FHCYEOKBJIQRRJ-CABCVRRESA-N 0 3 293.455 2.714 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1CCCN1Cc1ccccc1 ZINC000563759894 383168217 /nfs/dbraw/zinc/16/82/17/383168217.db2.gz ZQEHIIVTCYUUPU-QZTJIDSGSA-N 0 3 296.418 2.684 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000424773675 383258296 /nfs/dbraw/zinc/25/82/96/383258296.db2.gz GKGSQKXIBXWXIO-ZIAGYGMSSA-N 0 3 296.480 2.627 20 30 CFEDHN C=CCN(CCCC(=O)N(C)C)Cc1ccccc1 ZINC000519517991 383219434 /nfs/dbraw/zinc/21/94/34/383219434.db2.gz VZZQKGBIIVNGCZ-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000424655386 383222725 /nfs/dbraw/zinc/22/27/25/383222725.db2.gz WGDAUYPCEYILRY-UONOGXRCSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000519614989 383230475 /nfs/dbraw/zinc/23/04/75/383230475.db2.gz PJNWRHNLNKCVFL-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCC(C)(C)CN[C@H](Cc1ccccc1)C(N)=O ZINC000634576683 383243003 /nfs/dbraw/zinc/24/30/03/383243003.db2.gz XUMLZHFQRWWPHL-OAHLLOKOSA-N 0 3 274.408 2.665 20 30 CFEDHN CC[C@@H](CO)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000449375591 383246321 /nfs/dbraw/zinc/24/63/21/383246321.db2.gz HSTQTYPYTNTBMS-LBPRGKRZSA-N 0 3 286.297 2.780 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C[C@H]1C ZINC000449490394 383328971 /nfs/dbraw/zinc/32/89/71/383328971.db2.gz CCCODKFTJFPMMK-CZUORRHYSA-N 0 3 288.391 2.814 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000249286173 383338202 /nfs/dbraw/zinc/33/82/02/383338202.db2.gz PJKOXTWJVWQWHU-GOEBONIOSA-N 0 3 295.390 2.623 20 30 CFEDHN CCCNC(=O)[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249393494 383343343 /nfs/dbraw/zinc/34/33/43/383343343.db2.gz SFTVMKLEWIFNQZ-PBHICJAKSA-N 0 3 299.418 2.857 20 30 CFEDHN CC(C)[C@H](CO)[C@@H](NCc1ccccc1C#N)C(C)C ZINC000449508796 383344638 /nfs/dbraw/zinc/34/46/38/383344638.db2.gz HSMOIIBKZBAVSJ-IRXDYDNUSA-N 0 3 274.408 2.937 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000567679187 383300338 /nfs/dbraw/zinc/30/03/38/383300338.db2.gz OKQKHVGHTKKPFH-CVEARBPZSA-N 0 3 282.391 2.546 20 30 CFEDHN CC[C@@H](C(=O)N1CCC(NCCC#N)CC1)c1ccccc1 ZINC000567683266 383301579 /nfs/dbraw/zinc/30/15/79/383301579.db2.gz KSPSFNPFVBXXOV-QGZVFWFLSA-N 0 3 299.418 2.674 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CC1CCN(C)CC1 ZINC000425129960 383326714 /nfs/dbraw/zinc/32/67/14/383326714.db2.gz MRTHFVJSFULLKB-CQSZACIVSA-N 0 3 299.418 2.810 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000478016131 383392688 /nfs/dbraw/zinc/39/26/88/383392688.db2.gz LNIDXAMGSJGDNW-XLPZGREQSA-N 0 3 299.193 2.642 20 30 CFEDHN C[C@@H](CNc1ncc2c(c1C#N)CCC2)N1CCCC[C@@H]1C ZINC000568385076 383396277 /nfs/dbraw/zinc/39/62/77/383396277.db2.gz IPORFXSKGHDGIG-KBPBESRZSA-N 0 3 298.434 2.539 20 30 CFEDHN CCC[C@]1(C)CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000252481188 383411776 /nfs/dbraw/zinc/41/17/76/383411776.db2.gz UNSPSKWIPAGZFS-GDBMZVCRSA-N 0 3 279.428 2.649 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC)c(OCC)c1 ZINC000449518387 383351566 /nfs/dbraw/zinc/35/15/66/383351566.db2.gz JFSICJVWNDUPJN-CABCVRRESA-N 0 3 291.391 2.917 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1OC ZINC000449524371 383352443 /nfs/dbraw/zinc/35/24/43/383352443.db2.gz ZYNOPRDYMNUEFE-OLZOCXBDSA-N 0 3 267.756 2.782 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)c(OC)c1 ZINC000449520210 383353435 /nfs/dbraw/zinc/35/34/35/383353435.db2.gz OTRANSIZWKINMI-HONMWMINSA-N 0 3 265.328 2.828 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNc1ccnc2ccccc21 ZINC000425281695 383358125 /nfs/dbraw/zinc/35/81/25/383358125.db2.gz MLMSPBCUCFIYLK-LRDDRELGSA-N 0 3 254.333 2.660 20 30 CFEDHN C=CC[C@H](CO)Nc1ccnc2ccc(OC(C)C)cc21 ZINC000450443401 383413402 /nfs/dbraw/zinc/41/34/02/383413402.db2.gz VXXFXILOWFNKDA-CYBMUJFWSA-N 0 3 286.375 2.793 20 30 CFEDHN C=C(CC)CNCc1ccc(OCC(=O)OCC)cc1 ZINC000449733674 383363256 /nfs/dbraw/zinc/36/32/56/383363256.db2.gz PPNYKPYPXLDBBG-UHFFFAOYSA-N 0 3 277.364 2.684 20 30 CFEDHN C=C1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000449847213 383367284 /nfs/dbraw/zinc/36/72/84/383367284.db2.gz FAVYTGLKHBOYLP-MRXNPFEDSA-N 0 3 276.424 2.962 20 30 CFEDHN C=C(C)COc1cc(CN2C[C@@H](O)C[C@@H]2C)ccc1OC ZINC000471802623 383378923 /nfs/dbraw/zinc/37/89/23/383378923.db2.gz DCHGQMJILYQJMU-ZFWWWQNUSA-N 0 3 291.391 2.605 20 30 CFEDHN CC(C)[C@H]1CN(C)CCN1CC#Cc1cccc(Cl)c1 ZINC000425471405 383380299 /nfs/dbraw/zinc/38/02/99/383380299.db2.gz HKIINGFZRATVDT-QGZVFWFLSA-N 0 3 290.838 2.964 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)CCCC1 ZINC000450097540 383380951 /nfs/dbraw/zinc/38/09/51/383380951.db2.gz PHSBRXCYESHYGM-HUUCEWRRSA-N 0 3 278.440 2.968 20 30 CFEDHN CC#CCN(Cc1ccccc1)CC1(O)CCCC1 ZINC000474230181 383383929 /nfs/dbraw/zinc/38/39/29/383383929.db2.gz JTVFYIJPLWKNPW-UHFFFAOYSA-N 0 3 257.377 2.817 20 30 CFEDHN Cc1nc(C)c(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000568645927 383423842 /nfs/dbraw/zinc/42/38/42/383423842.db2.gz CFJPKKRTGKGTPW-HNNXBMFYSA-N 0 3 297.358 2.680 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(F)c2C#N)C[C@@H]1C ZINC000428292849 383443599 /nfs/dbraw/zinc/44/35/99/383443599.db2.gz DFLSGIGODIIDFW-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN CC1=C(C)CN(CCOc2ccc(C#N)cc2)CC1 ZINC000483372147 383447108 /nfs/dbraw/zinc/44/71/08/383447108.db2.gz IRUSOSBRFBVOEB-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN C[C@@H](NCc1cccc(F)c1C#N)[C@H]1CCCOC1 ZINC000428319259 383451233 /nfs/dbraw/zinc/45/12/33/383451233.db2.gz OTMCUDSSAXFFKU-YPMHNXCESA-N 0 3 262.328 2.602 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCCCF ZINC000428480832 383482981 /nfs/dbraw/zinc/48/29/81/383482981.db2.gz MEDXGGXPXWYAIZ-CQSZACIVSA-N 0 3 262.328 2.625 20 30 CFEDHN CCCCC[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000486790898 383475644 /nfs/dbraw/zinc/47/56/44/383475644.db2.gz ZYNCFCOBCUUORC-RDJZCZTQSA-N 0 3 291.439 2.840 20 30 CFEDHN CCN(Cc1cnc2c(C#N)cnn2c1)C1CC(C)(C)C1 ZINC000568631050 383421668 /nfs/dbraw/zinc/42/16/68/383421668.db2.gz ZJPNRQLLRJDOQV-UHFFFAOYSA-N 0 3 283.379 2.611 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[C@H](C)C1 ZINC000429565751 383547209 /nfs/dbraw/zinc/54/72/09/383547209.db2.gz SYXSKHWPAWVYLL-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)[C@@H]1CN(CC#Cc2cccc(Cl)c2)CCN1C ZINC000488035594 383489571 /nfs/dbraw/zinc/48/95/71/383489571.db2.gz XFABLDWRIVMSDS-KRWDZBQOSA-N 0 3 290.838 2.964 20 30 CFEDHN C[C@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000429579907 383549737 /nfs/dbraw/zinc/54/97/37/383549737.db2.gz NDNKCTXIHLWZIH-SWLSCSKDSA-N 0 3 271.364 2.617 20 30 CFEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)c(C)c1 ZINC000488265189 383510683 /nfs/dbraw/zinc/51/06/83/383510683.db2.gz LTQRCLSBPVSPLT-ZDUSSCGKSA-N 0 3 274.364 2.640 20 30 CFEDHN CCC1(CC)[C@H](NCC2(C#N)CC2)[C@H](C)[C@@H]1OC ZINC000429283710 383510803 /nfs/dbraw/zinc/51/08/03/383510803.db2.gz HZLGKOFMRMFPLL-XQQFMLRXSA-N 0 3 250.386 2.719 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1sccc1C#N ZINC000341063572 383551127 /nfs/dbraw/zinc/55/11/27/383551127.db2.gz RDGQHDTTZAMMMT-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN COC(=O)[C@H]1CCN(CC#Cc2ccccc2)[C@H]1C(C)C ZINC000429368516 383524599 /nfs/dbraw/zinc/52/45/99/383524599.db2.gz WUONKEWQYRTRTL-IRXDYDNUSA-N 0 3 285.387 2.558 20 30 CFEDHN Cc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)ccc1C#N ZINC000488996467 383589328 /nfs/dbraw/zinc/58/93/28/383589328.db2.gz MOLWNZJEVHIRMT-HZPDHXFCSA-N 0 3 256.349 2.524 20 30 CFEDHN CC(=O)Nc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430726331 383596986 /nfs/dbraw/zinc/59/69/86/383596986.db2.gz DBGCDPNZLZPFHK-LBPRGKRZSA-N 0 3 271.364 2.989 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H]2NCCc3ccccc32)n1 ZINC000261777725 383558562 /nfs/dbraw/zinc/55/85/62/383558562.db2.gz WPYNRULGENAUDR-MRXNPFEDSA-N 0 3 278.359 2.561 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccccc1[N+](=O)[O-] ZINC000429715532 383562236 /nfs/dbraw/zinc/56/22/36/383562236.db2.gz DLOJBUJWSJDQTD-UHFFFAOYSA-N 0 3 277.368 2.535 20 30 CFEDHN CCC1CCC(N(CCO)Cc2ccc(C#N)o2)CC1 ZINC000488573510 383562313 /nfs/dbraw/zinc/56/23/13/383562313.db2.gz OINSJHWLXJAADC-UHFFFAOYSA-N 0 3 276.380 2.914 20 30 CFEDHN CN(CCOc1ccccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000429710169 383562450 /nfs/dbraw/zinc/56/24/50/383562450.db2.gz VCKQJVVUUFWSSD-CHWSQXEVSA-N 0 3 262.328 2.829 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cc(F)ccc1F ZINC000429719636 383562804 /nfs/dbraw/zinc/56/28/04/383562804.db2.gz GYRLKBKBZYLGPX-UHFFFAOYSA-N 0 3 268.351 2.905 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1csc([C@H](C)OC)n1 ZINC000429718532 383562834 /nfs/dbraw/zinc/56/28/34/383562834.db2.gz SGZMQTNNXMXHSB-ZDUSSCGKSA-N 0 3 297.468 2.790 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2cc(C#N)ccc2F)C1 ZINC000429774208 383568899 /nfs/dbraw/zinc/56/88/99/383568899.db2.gz MNRTWMDLJBDILB-IUODEOHRSA-N 0 3 276.355 2.680 20 30 CFEDHN CO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000451549417 383642610 /nfs/dbraw/zinc/64/26/10/383642610.db2.gz SXQWLWDEFCVMEB-DVOMOZLQSA-N 0 3 258.365 2.976 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)Nc1ccccc1CCN(C)C ZINC000280902362 195021875 /nfs/dbraw/zinc/02/18/75/195021875.db2.gz RHEXNJMYXBXTQZ-UHFFFAOYSA-N 0 3 297.358 2.816 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@H]2CCO[C@H]21 ZINC000451464722 383620743 /nfs/dbraw/zinc/62/07/43/383620743.db2.gz FXULCNFBIMIZOF-KCPJHIHWSA-N 0 3 274.339 2.600 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000451486019 383625689 /nfs/dbraw/zinc/62/56/89/383625689.db2.gz JQGRKAKZSMEWAB-ZBFHGGJFSA-N 0 3 276.355 2.991 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451506505 383630637 /nfs/dbraw/zinc/63/06/37/383630637.db2.gz VVDSJFJNCUSEFJ-HFBAOOFYSA-N 0 3 288.391 2.716 20 30 CFEDHN CC(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000433100022 383753666 /nfs/dbraw/zinc/75/36/66/383753666.db2.gz CIQFCCVENTUWPC-HNNXBMFYSA-N 0 3 258.365 2.921 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H](c3ccccc3)C2)C1=O ZINC000433044436 383753706 /nfs/dbraw/zinc/75/37/06/383753706.db2.gz MZECVQTVBMCAMZ-IAGOWNOFSA-N 0 3 284.403 2.653 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000572104961 383754836 /nfs/dbraw/zinc/75/48/36/383754836.db2.gz RIIAQGMTGHOZPM-ZIAGYGMSSA-N 0 3 291.439 2.695 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccccn1 ZINC000433122525 383755057 /nfs/dbraw/zinc/75/50/57/383755057.db2.gz QYDJDVATJCCQRM-MRXNPFEDSA-N 0 3 293.370 2.513 20 30 CFEDHN Cc1csc(CNC(=O)C(C#N)CCc2ccccc2)n1 ZINC000433236705 383757544 /nfs/dbraw/zinc/75/75/44/383757544.db2.gz ZYYOHKWXOMVALB-CQSZACIVSA-N 0 3 299.399 2.840 20 30 CFEDHN N#Cc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264597002 383760620 /nfs/dbraw/zinc/76/06/20/383760620.db2.gz MQZLWUNHYZLOOP-MRXNPFEDSA-N 0 3 298.390 2.650 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(C#N)CC1 ZINC000433349589 383761597 /nfs/dbraw/zinc/76/15/97/383761597.db2.gz DDNSIVYYOKPMLY-MRXNPFEDSA-N 0 3 281.359 2.521 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 ZINC000434254999 383767314 /nfs/dbraw/zinc/76/73/14/383767314.db2.gz GJFZXOLVHONYBW-OLZOCXBDSA-N 0 3 288.347 2.783 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)c2cc(C)cc(C)c2)C1=O ZINC000280931725 195034315 /nfs/dbraw/zinc/03/43/15/195034315.db2.gz DXEASDMAFCGSBK-ZBFHGGJFSA-N 0 3 272.392 2.741 20 30 CFEDHN CC[C@@H](NCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000571150629 383668236 /nfs/dbraw/zinc/66/82/36/383668236.db2.gz MHVWNHGUYLPGNO-CQSZACIVSA-N 0 3 273.380 2.514 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000265052723 383823161 /nfs/dbraw/zinc/82/31/61/383823161.db2.gz QIMIQAUTSSUASG-HOTGVXAUSA-N 0 3 258.365 2.684 20 30 CFEDHN CC[C@](C)(COc1ncccc1Cl)NC(=O)C(C)C#N ZINC000435990644 383782481 /nfs/dbraw/zinc/78/24/81/383782481.db2.gz BOSFYAXGMHPNCB-QMTHXVAHSA-N 0 3 295.770 2.558 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640442308 383795870 /nfs/dbraw/zinc/79/58/70/383795870.db2.gz IALNGYUHXGNBAY-UHFFFAOYSA-N 0 3 287.407 2.723 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccccc1C ZINC000264889912 383797150 /nfs/dbraw/zinc/79/71/50/383797150.db2.gz WWMOYSDNUKCWRP-GOSISDBHSA-N 0 3 295.382 2.830 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000453209555 383801629 /nfs/dbraw/zinc/80/16/29/383801629.db2.gz DDODTJAVPJORJI-UONOGXRCSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@H](NCCC(C)(C)CO)c1ccc(C#N)cc1F ZINC000453283537 383836248 /nfs/dbraw/zinc/83/62/48/383836248.db2.gz VORVHXWBBAXYGX-NSHDSACASA-N 0 3 264.344 2.757 20 30 CFEDHN C#CCOc1ccccc1CNC[C@](C)(O)c1ccccc1 ZINC000265130149 383839257 /nfs/dbraw/zinc/83/92/57/383839257.db2.gz IPQNZFJKDKCDSL-IBGZPJMESA-N 0 3 295.382 2.696 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCN3CCCC[C@@H]23)c(Cl)c1 ZINC000265132328 383840862 /nfs/dbraw/zinc/84/08/62/383840862.db2.gz NKUKGUCSDSXPEK-STQMWFEESA-N 0 3 276.771 2.645 20 30 CFEDHN COC(=O)C(C)(C)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000280993802 195062282 /nfs/dbraw/zinc/06/22/82/195062282.db2.gz VITHOSHGESONRH-LBPRGKRZSA-N 0 3 274.364 2.798 20 30 CFEDHN Cc1c(C#N)c(N2CCNC[C@@](C)(F)C2)nc2ccccc12 ZINC000573098418 383872453 /nfs/dbraw/zinc/87/24/53/383872453.db2.gz JXUJFAGGGFVQBZ-QGZVFWFLSA-N 0 3 298.365 2.553 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCCC[C@@]32C)CC1 ZINC000636738434 383877489 /nfs/dbraw/zinc/87/74/89/383877489.db2.gz CKJNBDQRSWHQMK-YOEHRIQHSA-N 0 3 291.439 2.611 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(C#N)n2C)n1 ZINC000453690566 383898061 /nfs/dbraw/zinc/89/80/61/383898061.db2.gz JQTZLFUTDXKKSS-LLVKDONJSA-N 0 3 298.371 2.967 20 30 CFEDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(CC#N)cc1 ZINC000573723354 383978987 /nfs/dbraw/zinc/97/89/87/383978987.db2.gz XLIJJOQALMHMRM-INIZCTEOSA-N 0 3 280.375 2.653 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](O)C(C)(C)C1 ZINC000438338924 383984556 /nfs/dbraw/zinc/98/45/56/383984556.db2.gz BPGJGEQKIXYGTB-INIZCTEOSA-N 0 3 275.392 2.844 20 30 CFEDHN CC[C@@H](C(=O)Nc1cc(C#N)ccc1C)N(CC)CC ZINC000265516579 383936648 /nfs/dbraw/zinc/93/66/48/383936648.db2.gz LOMLZRIEDQQHJL-HNNXBMFYSA-N 0 3 273.380 2.926 20 30 CFEDHN COc1cccc([C@@H](CNc2cccc(C#N)n2)N(C)C)c1 ZINC000265561433 383945091 /nfs/dbraw/zinc/94/50/91/383945091.db2.gz SNOLJJOURXNWCA-MRXNPFEDSA-N 0 3 296.374 2.677 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000438905617 384030078 /nfs/dbraw/zinc/03/00/78/384030078.db2.gz ZWKSTBLBAOEYMM-LSDHHAIUSA-N 0 3 299.418 2.859 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000637322996 384030549 /nfs/dbraw/zinc/03/05/49/384030549.db2.gz FTUYYUKYWRIMKI-KRWDZBQOSA-N 0 3 293.455 2.716 20 30 CFEDHN Cc1cc([C@](C)(O)CNCc2cccc(C#N)c2)c(C)o1 ZINC000266129678 384088196 /nfs/dbraw/zinc/08/81/96/384088196.db2.gz CMBOFDWNHRTSDR-QGZVFWFLSA-N 0 3 284.359 2.765 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)CCN(C)C1CC1 ZINC000637622298 384138879 /nfs/dbraw/zinc/13/88/79/384138879.db2.gz ZWHQQXBZPZPEBC-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000637624019 384140338 /nfs/dbraw/zinc/14/03/38/384140338.db2.gz SOTMVEOCNFYFOG-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@H](NCc1ccc(N(C)C)nc1)c1ccc(C#N)cc1 ZINC000266473707 384181795 /nfs/dbraw/zinc/18/17/95/384181795.db2.gz OMJMDMSCNVYOBP-ZDUSSCGKSA-N 0 3 280.375 2.870 20 30 CFEDHN CC(C)OC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000266473842 384181966 /nfs/dbraw/zinc/18/19/66/384181966.db2.gz OQAIZJVGOCBOST-LBPRGKRZSA-N 0 3 260.337 2.551 20 30 CFEDHN COc1cc(CN(C)CCCSCC#N)cc(OC)c1 ZINC000266771782 384235417 /nfs/dbraw/zinc/23/54/17/384235417.db2.gz WAHWFRHNBGSSEE-UHFFFAOYSA-N 0 3 294.420 2.782 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1ccccc1Cl ZINC000266953185 384269272 /nfs/dbraw/zinc/26/92/72/384269272.db2.gz UZLTWXTWHLDKEN-UHFFFAOYSA-N 0 3 264.756 2.624 20 30 CFEDHN CCN1CCCN(c2cc(Cl)ccc2C#N)CC1 ZINC000267164226 384311685 /nfs/dbraw/zinc/31/16/85/384311685.db2.gz ARKBHHTZPJAMQI-UHFFFAOYSA-N 0 3 263.772 2.744 20 30 CFEDHN CC#CC[C@@H](CO)NCc1c(OC)ccc2ccccc21 ZINC000641768508 384335161 /nfs/dbraw/zinc/33/51/61/384335161.db2.gz AZLMIIGKLPVLIT-HNNXBMFYSA-N 0 3 283.371 2.712 20 30 CFEDHN C[C@@H]1CN(CCCNc2ccc(F)cc2C#N)CCCO1 ZINC000277653949 384366692 /nfs/dbraw/zinc/36/66/92/384366692.db2.gz OLRDNVBSANGUFB-CYBMUJFWSA-N 0 3 291.370 2.610 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(SC)o1 ZINC000641759015 384324930 /nfs/dbraw/zinc/32/49/30/384324930.db2.gz YUFKSYFXLJURHL-NEPJUHHUSA-N 0 3 253.367 2.825 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc(SCC)c1 ZINC000641768018 384333285 /nfs/dbraw/zinc/33/32/85/384333285.db2.gz ULSPXLOBJNCPOQ-AWEZNQCLSA-N 0 3 263.406 2.663 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C(C)(C)C)s1 ZINC000641766899 384333407 /nfs/dbraw/zinc/33/34/07/384333407.db2.gz DKOHOFHLBIOHSE-GFCCVEGCSA-N 0 3 265.422 2.910 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc(-c2cccnc2)c1 ZINC000641767663 384333636 /nfs/dbraw/zinc/33/36/36/384333636.db2.gz NWFKSKMKTIIWIR-SFHVURJKSA-N 0 3 280.371 2.613 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc2ccccc2c(OC)c1 ZINC000641766927 384334010 /nfs/dbraw/zinc/33/40/10/384334010.db2.gz FHHZOMPMWJSZDX-INIZCTEOSA-N 0 3 283.371 2.712 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc2ccccc2cc1OC ZINC000641767775 384334095 /nfs/dbraw/zinc/33/40/95/384334095.db2.gz QVBRGLVNJDXMCH-QGZVFWFLSA-N 0 3 283.371 2.712 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1cc(C#N)ccc1F ZINC000277784744 384405726 /nfs/dbraw/zinc/40/57/26/384405726.db2.gz OAWDQKKUZACQOO-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000267540403 384410764 /nfs/dbraw/zinc/41/07/64/384410764.db2.gz VJMCSYGFPCDPBR-INIZCTEOSA-N 0 3 299.418 2.950 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1ccc(F)cc1 ZINC000267437902 384390628 /nfs/dbraw/zinc/39/06/28/384390628.db2.gz YDQNJQFLIBXMAH-INIZCTEOSA-N 0 3 284.338 2.807 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000278030469 384462578 /nfs/dbraw/zinc/46/25/78/384462578.db2.gz UIHNMSVRMYUOQO-MRXNPFEDSA-N 0 3 297.402 2.613 20 30 CFEDHN C=CCN1CC[C@H](NC(C)(C)c2cccc(Cl)c2)C1=O ZINC000281138818 195120255 /nfs/dbraw/zinc/12/02/55/195120255.db2.gz AMDVJVCKSIHJFY-AWEZNQCLSA-N 0 3 292.810 2.952 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000374633501 220324596 /nfs/dbraw/zinc/32/45/96/220324596.db2.gz VVMUQJVZKPZXFC-IRXDYDNUSA-N 0 3 286.375 2.614 20 30 CFEDHN CC[C@H](NCCNC(=O)c1ccco1)c1ccc(C#N)cc1 ZINC000278355268 384538798 /nfs/dbraw/zinc/53/87/98/384538798.db2.gz ZWEMIHGNPXXOHT-HNNXBMFYSA-N 0 3 297.358 2.622 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)ccc1F ZINC000268258518 384581363 /nfs/dbraw/zinc/58/13/63/384581363.db2.gz WRQLFFYRZYVKOY-CYBMUJFWSA-N 0 3 284.338 2.800 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1cccc(F)c1C#N ZINC000268202297 384563579 /nfs/dbraw/zinc/56/35/79/384563579.db2.gz XPUGUPFBQVWZMZ-MEBBXXQBSA-N 0 3 259.328 2.592 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1cccc(F)c1C#N ZINC000268202290 384563670 /nfs/dbraw/zinc/56/36/70/384563670.db2.gz XPUGUPFBQVWZMZ-BMIGLBTASA-N 0 3 259.328 2.592 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccco1 ZINC000643538443 384718786 /nfs/dbraw/zinc/71/87/86/384718786.db2.gz KKODAIYNDCMDHP-AVGNSLFASA-N 0 3 252.333 2.577 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@](C)(OC)CC1 ZINC000280288101 384961074 /nfs/dbraw/zinc/96/10/74/384961074.db2.gz DYUDDNQZFONLJR-KRWDZBQOSA-N 0 3 288.391 2.958 20 30 CFEDHN C#CCOc1ccccc1CNCCc1ccncc1C ZINC000269986569 384931909 /nfs/dbraw/zinc/93/19/09/384931909.db2.gz OENFINOFZXLIQU-UHFFFAOYSA-N 0 3 280.371 2.734 20 30 CFEDHN COC(=O)CC1(NCc2cc(C#N)ccc2F)CCCC1 ZINC000280358102 384987912 /nfs/dbraw/zinc/98/79/12/384987912.db2.gz ISOLBRAUMUKKQG-UHFFFAOYSA-N 0 3 290.338 2.663 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000280530646 385048403 /nfs/dbraw/zinc/04/84/03/385048403.db2.gz BWWGGUCTJLKMMF-GOEBONIOSA-N 0 3 274.339 2.768 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000644814733 385075818 /nfs/dbraw/zinc/07/58/18/385075818.db2.gz LTNWMUUDSICWJD-DJIMGWMZSA-N 0 3 284.403 2.509 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)ccc1OC ZINC000280635811 385093184 /nfs/dbraw/zinc/09/31/84/385093184.db2.gz MSSKNSKGYVUKEZ-DYVFJYSZSA-N 0 3 291.391 2.775 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(CC)nn(C)c1Cl ZINC000280635609 385093949 /nfs/dbraw/zinc/09/39/49/385093949.db2.gz MPQRDPYQAXBHGT-FZMZJTMJSA-N 0 3 297.830 2.707 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)[C@@H](C)Cc2ccsc2)C1=O ZINC000281414358 385194228 /nfs/dbraw/zinc/19/42/28/385194228.db2.gz RHPWBTYLPFNBIG-DZGCQCFKSA-N 0 3 292.448 2.788 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000347099084 533108319 /nfs/dbraw/zinc/10/83/19/533108319.db2.gz CZEUWAMAVGPVJM-AWEZNQCLSA-N 0 3 286.375 2.601 20 30 CFEDHN C#CCCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270618845 385167270 /nfs/dbraw/zinc/16/72/70/385167270.db2.gz OPGJMFFRYVBAIY-MRXNPFEDSA-N 0 3 269.344 2.839 20 30 CFEDHN C=CCOc1ccc(CNC(C)(C)[C@@H](C)O)cc1OC ZINC000270632297 385171704 /nfs/dbraw/zinc/17/17/04/385171704.db2.gz GCSAAGJQCWKDKA-GFCCVEGCSA-N 0 3 279.380 2.509 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000280842545 385175959 /nfs/dbraw/zinc/17/59/59/385175959.db2.gz XKJGVIRMMOPXNX-UHFFFAOYSA-N 0 3 297.358 2.668 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000282150648 385229170 /nfs/dbraw/zinc/22/91/70/385229170.db2.gz CSIHWCNJIMVWHF-RHSMWYFYSA-N 0 3 273.376 2.698 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000639144052 385245935 /nfs/dbraw/zinc/24/59/35/385245935.db2.gz GIPBKVKEDQYXBM-IUODEOHRSA-N 0 3 262.353 2.623 20 30 CFEDHN C#CCCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000270875427 385254218 /nfs/dbraw/zinc/25/42/18/385254218.db2.gz ANHLVVWBQWXVSW-UHFFFAOYSA-N 0 3 276.355 2.888 20 30 CFEDHN COc1cc(CN(C)CCc2nccs2)ccc1C#N ZINC000282237725 385255477 /nfs/dbraw/zinc/25/54/77/385255477.db2.gz IWQRTXYXZIHJGS-UHFFFAOYSA-N 0 3 287.388 2.698 20 30 CFEDHN COc1cc(CN2CCN(C3CCCC3)CC2)ccc1C#N ZINC000282443244 385313052 /nfs/dbraw/zinc/31/30/52/385313052.db2.gz UPKZACHKDBORFF-UHFFFAOYSA-N 0 3 299.418 2.627 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](OC)C[C@H]1C ZINC000282285891 385272664 /nfs/dbraw/zinc/27/26/64/385272664.db2.gz IPFMGPVTEZBVKD-IUODEOHRSA-N 0 3 274.364 2.566 20 30 CFEDHN COc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)ccc1C#N ZINC000282294956 385275407 /nfs/dbraw/zinc/27/54/07/385275407.db2.gz LYZREYYJJQYXQF-OAHLLOKOSA-N 0 3 296.374 2.670 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000289091272 197232209 /nfs/dbraw/zinc/23/22/09/197232209.db2.gz BOCCCKFXHHJIAL-CYBMUJFWSA-N 0 3 259.349 2.761 20 30 CFEDHN C=C(C)CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000270985391 385291178 /nfs/dbraw/zinc/29/11/78/385291178.db2.gz SIIWLFKVKVLSGF-CYBMUJFWSA-N 0 3 284.197 2.990 20 30 CFEDHN C#CCCCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000271074726 385328929 /nfs/dbraw/zinc/32/89/29/385328929.db2.gz WNZUTVIUBGJDDI-INIZCTEOSA-N 0 3 270.376 2.527 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](COC)C2)cc1OC ZINC000271201037 385373063 /nfs/dbraw/zinc/37/30/63/385373063.db2.gz UABNESYJBIELBG-OAHLLOKOSA-N 0 3 291.391 2.728 20 30 CFEDHN COCCN(CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000271067392 385328002 /nfs/dbraw/zinc/32/80/02/385328002.db2.gz KJGXHKAGCATYLY-UHFFFAOYSA-N 0 3 284.359 2.842 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1ncnn1CC ZINC000639264412 385393261 /nfs/dbraw/zinc/39/32/61/385393261.db2.gz CWXRYCRNTQBUGW-OAHLLOKOSA-N 0 3 270.380 2.575 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963243 385412347 /nfs/dbraw/zinc/41/23/47/385412347.db2.gz RTDQSEYYCCTRSP-SLEUVZQESA-N 0 3 287.382 2.973 20 30 CFEDHN CCC[C@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271977308 385416723 /nfs/dbraw/zinc/41/67/23/385416723.db2.gz VYDMAJBBNOAOBC-ABAIWWIYSA-N 0 3 264.344 2.899 20 30 CFEDHN CCC[C@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271977315 385417079 /nfs/dbraw/zinc/41/70/79/385417079.db2.gz VYDMAJBBNOAOBC-NHYWBVRUSA-N 0 3 264.344 2.899 20 30 CFEDHN C=CCN(CC=C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283583146 385478309 /nfs/dbraw/zinc/47/83/09/385478309.db2.gz PFBBGSFIJLBBID-MRXNPFEDSA-N 0 3 284.403 2.823 20 30 CFEDHN N#Cc1ccccc1N1CCCN(CCCCF)CC1 ZINC000286159649 385565428 /nfs/dbraw/zinc/56/54/28/385565428.db2.gz XXEPXKGLKNKCKD-UHFFFAOYSA-N 0 3 275.371 2.820 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1c(F)cc(C#N)cc1F ZINC000286184658 385568784 /nfs/dbraw/zinc/56/87/84/385568784.db2.gz ASLURCBWNWNHRB-AAEUAGOBSA-N 0 3 291.345 2.899 20 30 CFEDHN C#CCSCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000286342828 385593921 /nfs/dbraw/zinc/59/39/21/385593921.db2.gz YWKOMPZUOAUNBL-SNVBAGLBSA-N 0 3 283.418 2.552 20 30 CFEDHN Cc1ccnc(N(C)CCCN(C)Cc2ccco2)c1C#N ZINC000286305108 385585748 /nfs/dbraw/zinc/58/57/48/385585748.db2.gz HRKQRROVWKNVGX-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000272797060 385617418 /nfs/dbraw/zinc/61/74/18/385617418.db2.gz APHOKJWDUGQEEZ-CJNGLKHVSA-N 0 3 293.432 2.815 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@H](C)c2ccccc21 ZINC000272797059 385617427 /nfs/dbraw/zinc/61/74/27/385617427.db2.gz APHOKJWDUGQEEZ-BBRMVZONSA-N 0 3 293.432 2.815 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)cc1C ZINC000272848509 385633251 /nfs/dbraw/zinc/63/32/51/385633251.db2.gz KPVNCKPSYBMOGM-AWEZNQCLSA-N 0 3 281.421 2.555 20 30 CFEDHN C#CCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000272872475 385637582 /nfs/dbraw/zinc/63/75/82/385637582.db2.gz AULCXGFAGKYAGN-NSHDSACASA-N 0 3 271.286 2.562 20 30 CFEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(F)c(C#N)c4)[C@H]1[C@H]3C2 ZINC000286570845 385653504 /nfs/dbraw/zinc/65/35/04/385653504.db2.gz PQDNSTVFGOUHCZ-OHYFQZGNSA-N 0 3 286.350 2.553 20 30 CFEDHN C#CCCCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000274148270 385728103 /nfs/dbraw/zinc/72/81/03/385728103.db2.gz IJBRBTKBKGDRGR-AWEZNQCLSA-N 0 3 262.422 2.840 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)c2nc(Cl)c(C#N)s2)CCN1C ZINC000287268843 385816285 /nfs/dbraw/zinc/81/62/85/385816285.db2.gz LFKVDONCONTDKX-BDAKNGLRSA-N 0 3 284.816 2.587 20 30 CFEDHN C#CCOc1ccccc1NC(=O)[C@H](CC)N(CC)CC ZINC000274858699 385884706 /nfs/dbraw/zinc/88/47/06/385884706.db2.gz RFOJSPSZPAJTHU-HNNXBMFYSA-N 0 3 288.391 2.758 20 30 CFEDHN C[C@H](NCc1ccc(Cl)cc1C#N)[C@H]1CCOC1 ZINC000274825832 385879355 /nfs/dbraw/zinc/87/93/55/385879355.db2.gz KUNPUZQBHWFKAF-JQWIXIFHSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@@H](CO)N(Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000276268273 385986313 /nfs/dbraw/zinc/98/63/13/385986313.db2.gz CDSCRHLMWJYDFQ-LBPRGKRZSA-N 0 3 276.355 2.823 20 30 CFEDHN COc1ccccc1[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000276762256 386036242 /nfs/dbraw/zinc/03/62/42/386036242.db2.gz NFNWKHHXAPFNDY-HNNXBMFYSA-N 0 3 295.386 2.895 20 30 CFEDHN C[C@@]1(NCC#Cc2ccccc2)CCO[C@H]1C1CC1 ZINC000276920213 386080900 /nfs/dbraw/zinc/08/09/00/386080900.db2.gz HBJKSISKNLSIGM-DLBZAZTESA-N 0 3 255.361 2.585 20 30 CFEDHN COc1cc2c(cc1CN[C@@H]1CC[C@H](C#N)C1)O[C@H](C)C2 ZINC000349826845 533160096 /nfs/dbraw/zinc/16/00/96/533160096.db2.gz FCBXULFODGLVNZ-TYNCELHUSA-N 0 3 286.375 2.800 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288345240 197055331 /nfs/dbraw/zinc/05/53/31/197055331.db2.gz SXFGPILVQINGAM-FUHWJXTLSA-N 0 3 298.430 2.959 20 30 CFEDHN C=C(CNC(=O)N[C@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000288237416 197034186 /nfs/dbraw/zinc/03/41/86/197034186.db2.gz QIJLMGYAWFVURE-OAHLLOKOSA-N 0 3 299.418 2.649 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288217150 197029718 /nfs/dbraw/zinc/02/97/18/197029718.db2.gz NDPVFRWKAFMUSD-WBVHZDCISA-N 0 3 298.430 2.815 20 30 CFEDHN CC[C@H](C(=O)Nc1cc(C#N)ccc1NC)N(CC)CC ZINC000281221600 195155146 /nfs/dbraw/zinc/15/51/46/195155146.db2.gz RJNVIKHRZPBJOT-OAHLLOKOSA-N 0 3 288.395 2.659 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cc(C)sc2C)C1=O ZINC000281221955 195155942 /nfs/dbraw/zinc/15/59/42/195155942.db2.gz OMNILAVHWVJYMA-SMDDNHRTSA-N 0 3 278.421 2.802 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc2ncsc2c1 ZINC000681598815 542467479 /nfs/dbraw/zinc/46/74/79/542467479.db2.gz ZDMLSPQVXFLGLM-MFKMUULPSA-N 0 3 262.378 2.884 20 30 CFEDHN C#CCOc1ccccc1CN1CCCO[C@H](CC)C1 ZINC000281284088 195180526 /nfs/dbraw/zinc/18/05/26/195180526.db2.gz OPRDKKBOGHAAEU-MRXNPFEDSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CC[C@H](CC)NC(=O)c1ccc(CN(C)C)cc1 ZINC000281379003 195217869 /nfs/dbraw/zinc/21/78/69/195217869.db2.gz NRCFEYMCTWPZMY-HNNXBMFYSA-N 0 3 260.381 2.833 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)c2cccc(C)c2C)C1=O ZINC000281380066 195218262 /nfs/dbraw/zinc/21/82/62/195218262.db2.gz YVDMKVARNVDSDF-HOCLYGCPSA-N 0 3 272.392 2.741 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC[C@H](C)c2ccccc2)C1=O ZINC000281388276 195220979 /nfs/dbraw/zinc/22/09/79/195220979.db2.gz WQCUTTJMZAHSGM-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN C[C@@H](C(=O)N1CCc2c1cccc2C#N)N1[C@H](C)CC[C@H]1C ZINC000421958752 533219586 /nfs/dbraw/zinc/21/95/86/533219586.db2.gz CCIKIIWYVWDNCD-MCIONIFRSA-N 0 3 297.402 2.709 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCCc2nc(CC)sc21 ZINC000186685416 260004714 /nfs/dbraw/zinc/00/47/14/260004714.db2.gz ZGZCIMPVBHNZHR-QWRGUYRKSA-N 0 3 266.410 2.610 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000186693234 260004893 /nfs/dbraw/zinc/00/48/93/260004893.db2.gz BSYCJJAWJSYBJO-PSASIEDQSA-N 0 3 259.271 2.692 20 30 CFEDHN C=CCCCN1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682041671 542508376 /nfs/dbraw/zinc/50/83/76/542508376.db2.gz MKBXLGAQBYJQAT-NSHDSACASA-N 0 3 251.292 2.996 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000116974453 260019668 /nfs/dbraw/zinc/01/96/68/260019668.db2.gz AYUFKKDGKRCJID-ZFWWWQNUSA-N 0 3 275.396 2.553 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)CCCSC ZINC000281562899 195289150 /nfs/dbraw/zinc/28/91/50/195289150.db2.gz YJWDACOPNHUYGQ-UHFFFAOYSA-N 0 3 264.394 2.752 20 30 CFEDHN COc1cc(CNC[C@@H](O)C2CCCCC2)ccc1C#N ZINC000281652223 195323618 /nfs/dbraw/zinc/32/36/18/195323618.db2.gz KBZVWHGDRLHQAB-MRXNPFEDSA-N 0 3 288.391 2.598 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)CC#Cc2ccc(F)cc2)C1 ZINC000187916636 260065511 /nfs/dbraw/zinc/06/55/11/260065511.db2.gz BONDHTJUKCWKJO-YOEHRIQHSA-N 0 3 275.367 2.660 20 30 CFEDHN COc1cc(CN[C@H]2CCCC[C@@H]2OC)ccc1C#N ZINC000281819849 195395774 /nfs/dbraw/zinc/39/57/74/195395774.db2.gz WVCXLGQBAYMVFD-GJZGRUSLSA-N 0 3 274.364 2.614 20 30 CFEDHN COc1ccc2ccccc2c1CNC(=O)C(C)C#N ZINC000347082133 533341210 /nfs/dbraw/zinc/34/12/10/533341210.db2.gz YBGZKHUTSYZIQJ-LLVKDONJSA-N 0 3 268.316 2.624 20 30 CFEDHN C[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000427972737 533541105 /nfs/dbraw/zinc/54/11/05/533541105.db2.gz NISJCVKGUPYBHV-ONERCXAPSA-N 0 3 262.328 2.651 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccsn1 ZINC001085238851 781994391 /nfs/dbraw/zinc/99/43/91/781994391.db2.gz KMWLOOKUHPFLDH-GHMZBOCLSA-N 0 3 299.827 2.526 20 30 CFEDHN COc1ccc(CNCCCC#N)cc1OC(F)F ZINC000344356197 533661161 /nfs/dbraw/zinc/66/11/61/533661161.db2.gz MGSLZLHNHCBHMF-UHFFFAOYSA-N 0 3 270.279 2.690 20 30 CFEDHN C[C@](CO)(CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000342193158 130326747 /nfs/dbraw/zinc/32/67/47/130326747.db2.gz CHJSNXWVSNTDPN-GOSISDBHSA-N 0 3 280.371 2.598 20 30 CFEDHN CC[C@@]1(NCC#Cc2cccc(Cl)c2)CCOC1 ZINC000683041798 542633603 /nfs/dbraw/zinc/63/36/03/542633603.db2.gz FGMVCXNLJTXISG-OAHLLOKOSA-N 0 3 263.768 2.850 20 30 CFEDHN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000192124313 130377415 /nfs/dbraw/zinc/37/74/15/130377415.db2.gz CAOZHAFYDREKEG-KRWDZBQOSA-N 0 3 284.403 2.571 20 30 CFEDHN C[C@](CO)(CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000342200450 130377820 /nfs/dbraw/zinc/37/78/20/130377820.db2.gz NAIAWDIFIUQBJM-GOSISDBHSA-N 0 3 298.361 2.737 20 30 CFEDHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1ccc(C#N)cc1 ZINC000263697755 131310881 /nfs/dbraw/zinc/31/08/81/131310881.db2.gz RQUVMDNIJUKRLG-KBXIAJHMSA-N 0 3 299.418 2.997 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC(C)(C)C ZINC000263760018 131323971 /nfs/dbraw/zinc/32/39/71/131323971.db2.gz IBRDDNWCCRZKJV-ZDUSSCGKSA-N 0 3 252.402 2.553 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000268445799 132009713 /nfs/dbraw/zinc/00/97/13/132009713.db2.gz HGBSPHRSRGPGPQ-AFBRZQFHSA-N 0 3 295.448 2.744 20 30 CFEDHN C=CCC[C@H](O)CN(CC)Cc1ccc(OC)c(OC)c1 ZINC000268655236 132043372 /nfs/dbraw/zinc/04/33/72/132043372.db2.gz PXVVGKQLLWRLKZ-HNNXBMFYSA-N 0 3 293.407 2.853 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000268658679 132044096 /nfs/dbraw/zinc/04/40/96/132044096.db2.gz LLSYEZLLCSIEGX-DLBZAZTESA-N 0 3 281.359 2.757 20 30 CFEDHN C[C@H](c1cccc(O)c1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268716977 132055497 /nfs/dbraw/zinc/05/54/97/132055497.db2.gz YWQVXIJMUNIMIM-ACJLOTCBSA-N 0 3 296.370 2.990 20 30 CFEDHN C[C@@H](c1cccc(O)c1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268716982 132055574 /nfs/dbraw/zinc/05/55/74/132055574.db2.gz YWQVXIJMUNIMIM-SCLBCKFNSA-N 0 3 296.370 2.990 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000268791842 132066188 /nfs/dbraw/zinc/06/61/88/132066188.db2.gz GTUOFYPHCQLWKS-AWEZNQCLSA-N 0 3 272.392 2.600 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)NCc1ccc(C#N)cc1F ZINC000269445022 132172126 /nfs/dbraw/zinc/17/21/26/132172126.db2.gz UPJGEYFCWKWMBQ-UONOGXRCSA-N 0 3 289.398 2.907 20 30 CFEDHN CC1CCN(CCNCc2ccc(C#N)cc2F)CC1 ZINC000269451703 132172627 /nfs/dbraw/zinc/17/26/27/132172627.db2.gz VZLISJIVSOLGDK-UHFFFAOYSA-N 0 3 275.371 2.519 20 30 CFEDHN CC(C)C[C@@H](CNCc1ccc(C#N)cc1F)N(C)C ZINC000269449877 132173015 /nfs/dbraw/zinc/17/30/15/132173015.db2.gz VLHRPWVPQJQTLV-HNNXBMFYSA-N 0 3 277.387 2.763 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)C2CCCCC2)c(F)c1 ZINC000269459854 132174609 /nfs/dbraw/zinc/17/46/09/132174609.db2.gz XRLJPVPQKNXIJQ-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2ccco2)C1 ZINC000374002745 393479946 /nfs/dbraw/zinc/47/99/46/393479946.db2.gz NBXMKUBDKLNWSL-CABCVRRESA-N 0 3 288.391 2.658 20 30 CFEDHN C[C@@H](NCCCCC#N)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178645110 393446637 /nfs/dbraw/zinc/44/66/37/393446637.db2.gz PQLKQSQKSYOJDG-LLVKDONJSA-N 0 3 298.383 2.574 20 30 CFEDHN Cc1cc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c(C)s1 ZINC000179375816 393464967 /nfs/dbraw/zinc/46/49/67/393464967.db2.gz XWISPISOYOYSKV-VXGBXAGGSA-N 0 3 293.436 2.776 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000186171097 393540514 /nfs/dbraw/zinc/54/05/14/393540514.db2.gz CNCNUQOZKUBYEK-MRXNPFEDSA-N 0 3 280.375 2.969 20 30 CFEDHN C=CCNC(=O)CNc1cc(CCC)nc2ccccc21 ZINC000302065826 393486851 /nfs/dbraw/zinc/48/68/51/393486851.db2.gz UJBDQHWYWOJPSB-UHFFFAOYSA-N 0 3 283.375 2.901 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000026325365 393495142 /nfs/dbraw/zinc/49/51/42/393495142.db2.gz XZKDKFITLBLFEG-UHFFFAOYSA-N 0 3 291.354 2.941 20 30 CFEDHN COC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000183446408 393519983 /nfs/dbraw/zinc/51/99/83/393519983.db2.gz SLCYPXYLUWDLKY-OAHLLOKOSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCCC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184255552 393526549 /nfs/dbraw/zinc/52/65/49/393526549.db2.gz OXSBTDFWOZWGQI-UHFFFAOYSA-N 0 3 287.407 2.733 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](CC)c1nc(C)cs1 ZINC000184435033 393528948 /nfs/dbraw/zinc/52/89/48/393528948.db2.gz OWPSOMRFVYOFQF-NWDGAFQWSA-N 0 3 254.399 2.819 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(F)c1 ZINC000185849120 393537647 /nfs/dbraw/zinc/53/76/47/393537647.db2.gz GWJUODIYXDCIHQ-SMDDNHRTSA-N 0 3 257.312 2.869 20 30 CFEDHN CC1(C)CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330176248 393551592 /nfs/dbraw/zinc/55/15/92/393551592.db2.gz CDOYMTPPIJICSR-STQMWFEESA-N 0 3 290.411 2.670 20 30 CFEDHN CC1(C)CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330176248 393551596 /nfs/dbraw/zinc/55/15/96/393551596.db2.gz CDOYMTPPIJICSR-STQMWFEESA-N 0 3 290.411 2.670 20 30 CFEDHN COCC#CCN1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000684210997 542776998 /nfs/dbraw/zinc/77/69/98/542776998.db2.gz GQIJRQBHEPLGEQ-MRXNPFEDSA-N 0 3 257.377 2.743 20 30 CFEDHN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000329785477 393547599 /nfs/dbraw/zinc/54/75/99/393547599.db2.gz PZHSLIXHXFDJIZ-HZSPNIEDSA-N 0 3 293.411 2.911 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000187606767 393555628 /nfs/dbraw/zinc/55/56/28/393555628.db2.gz PCBVOGLEOXIQAZ-KRWDZBQOSA-N 0 3 272.392 2.851 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCN(C)C1CC1 ZINC000190037029 393577842 /nfs/dbraw/zinc/57/78/42/393577842.db2.gz YREBGTJGEJRBRE-CYBMUJFWSA-N 0 3 257.381 2.645 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000334312300 393592738 /nfs/dbraw/zinc/59/27/38/393592738.db2.gz TXOTVWZDFLBFHH-LLVKDONJSA-N 0 3 260.312 2.871 20 30 CFEDHN N#CCC1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000334517694 393605128 /nfs/dbraw/zinc/60/51/28/393605128.db2.gz BJLLDAKUUJCFBD-UHFFFAOYSA-N 0 3 255.365 2.696 20 30 CFEDHN CCC(CC)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000192699493 393630144 /nfs/dbraw/zinc/63/01/44/393630144.db2.gz HGSGZJQVBOZEOY-LLVKDONJSA-N 0 3 259.353 2.663 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc(C#N)c1F ZINC000411642283 393733505 /nfs/dbraw/zinc/73/35/05/393733505.db2.gz MQJIOYHJGDYPAQ-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN COCCN(CCC1(C#N)CCCCC1)[C@@H]1CCO[C@@H]1C ZINC000411658050 393736185 /nfs/dbraw/zinc/73/61/85/393736185.db2.gz VWIRMVLGEATKAH-HZPDHXFCSA-N 0 3 294.439 2.976 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000336624178 393744839 /nfs/dbraw/zinc/74/48/39/393744839.db2.gz UYMXZMHLYIIGKV-OCCSQVGLSA-N 0 3 259.353 2.628 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@H](C2CCC2)C1 ZINC000411840268 393753714 /nfs/dbraw/zinc/75/37/14/393753714.db2.gz CJXHWMAMGPNZEJ-AWEZNQCLSA-N 0 3 250.386 2.817 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000335654397 393686972 /nfs/dbraw/zinc/68/69/72/393686972.db2.gz RNRSRYXHLRJFMG-TZMCWYRMSA-N 0 3 257.337 2.685 20 30 CFEDHN COc1cccc([C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000335724341 393693102 /nfs/dbraw/zinc/69/31/02/393693102.db2.gz CZWNMIQZDPTIKC-SMDDNHRTSA-N 0 3 258.321 2.518 20 30 CFEDHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000335729451 393695031 /nfs/dbraw/zinc/69/50/31/393695031.db2.gz IFVFXKHEIVOSOR-SWLSCSKDSA-N 0 3 296.374 2.879 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1C ZINC000077247123 393697546 /nfs/dbraw/zinc/69/75/46/393697546.db2.gz BSQTTYIQMHTTOQ-ZDUSSCGKSA-N 0 3 274.364 2.820 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)C[C@H]1C ZINC000412020125 393759506 /nfs/dbraw/zinc/75/95/06/393759506.db2.gz HNTXNWCBQXOQKC-ZIAGYGMSSA-N 0 3 291.439 2.838 20 30 CFEDHN N#Cc1ccc(C2=CCN(CCC3(O)CCC3)CC2)cc1 ZINC000411433522 393711921 /nfs/dbraw/zinc/71/19/21/393711921.db2.gz AKBQZEJCGBROBQ-UHFFFAOYSA-N 0 3 282.387 2.952 20 30 CFEDHN CC#CCN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412367852 393767156 /nfs/dbraw/zinc/76/71/56/393767156.db2.gz NAOPKDGKIZZAPC-UHFFFAOYSA-N 0 3 284.403 2.768 20 30 CFEDHN COc1ccc(CNCc2ccc(C#N)c(OC)c2)cc1 ZINC000234934355 393783659 /nfs/dbraw/zinc/78/36/59/393783659.db2.gz DRCBIZHQTVGIDF-UHFFFAOYSA-N 0 3 282.343 2.865 20 30 CFEDHN C[C@@H](NCCCSCC#N)c1ccncc1F ZINC000338355910 393783732 /nfs/dbraw/zinc/78/37/32/393783732.db2.gz LTJCENNHKXPQNX-SNVBAGLBSA-N 0 3 253.346 2.518 20 30 CFEDHN C=CC[C@H]1N(C(=O)[C@@H](CC)N(C)C)CCCC1(C)C ZINC000413790409 393789171 /nfs/dbraw/zinc/78/91/71/393789171.db2.gz WXAFOSKBSASZDO-ZIAGYGMSSA-N 0 3 266.429 2.920 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)CS1 ZINC000413963790 393792415 /nfs/dbraw/zinc/79/24/15/393792415.db2.gz UONLYVVKZCFTPR-YUELXQCFSA-N 0 3 288.416 2.769 20 30 CFEDHN N#CCCCOc1cccc(CN[C@@H]2CCCOC2)c1 ZINC000237820321 393795663 /nfs/dbraw/zinc/79/56/63/393795663.db2.gz APTANONCYIYASB-OAHLLOKOSA-N 0 3 274.364 2.638 20 30 CFEDHN CN(C)c1cccc([C@@H]2CCCN2CCOCCC#N)c1 ZINC000339006185 393810436 /nfs/dbraw/zinc/81/04/36/393810436.db2.gz WSVZDOXYXSXRSG-KRWDZBQOSA-N 0 3 287.407 2.820 20 30 CFEDHN C=CCOCCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000339017809 393810908 /nfs/dbraw/zinc/81/09/08/393810908.db2.gz XDHPYGUFBVXHGJ-GOSISDBHSA-N 0 3 289.419 2.913 20 30 CFEDHN N#CCCOCCNC1(c2ccc(Cl)cc2)CC1 ZINC000339067924 393815081 /nfs/dbraw/zinc/81/50/81/393815081.db2.gz OCOPGRIRAZFJDE-UHFFFAOYSA-N 0 3 264.756 2.849 20 30 CFEDHN CN(CCOCCC#N)Cc1cccc2[nH]ccc21 ZINC000339123612 393819083 /nfs/dbraw/zinc/81/90/83/393819083.db2.gz HZXLFHAOOJYQSK-UHFFFAOYSA-N 0 3 257.337 2.530 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2Cl)CC1 ZINC000106040069 393865183 /nfs/dbraw/zinc/86/51/83/393865183.db2.gz WPDUUGFMYJIHGF-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342988980 393876587 /nfs/dbraw/zinc/87/65/87/393876587.db2.gz IBVGOXKWUHVYJG-VNHYZAJKSA-N 0 3 279.428 2.513 20 30 CFEDHN C[C@H](CNC(=O)c1cccc(CC#N)c1)N1CCCC[C@H]1C ZINC000343070524 393879229 /nfs/dbraw/zinc/87/92/29/393879229.db2.gz DQXPRFAXRBYFQA-HUUCEWRRSA-N 0 3 299.418 2.745 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344031672 393893765 /nfs/dbraw/zinc/89/37/65/393893765.db2.gz CRFJLILCYRIRSC-CQSZACIVSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@](O)(CC)C1 ZINC000428416902 393897328 /nfs/dbraw/zinc/89/73/28/393897328.db2.gz BPGXHPSYFITWLF-INIZCTEOSA-N 0 3 261.365 2.598 20 30 CFEDHN CC[C@@H]1CN(CCC(C)(C)C#N)[C@@H](CC)CN1C(C)=O ZINC000345708684 393913986 /nfs/dbraw/zinc/91/39/86/393913986.db2.gz BQRYSHUODHDTLT-LSDHHAIUSA-N 0 3 279.428 2.648 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nn(C)c2ccccc12 ZINC000684767943 542851308 /nfs/dbraw/zinc/85/13/08/542851308.db2.gz VKEXFRLDQWTPIF-CXAGYDPISA-N 0 3 285.391 2.644 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000346222985 393923570 /nfs/dbraw/zinc/92/35/70/393923570.db2.gz PJMZVZUNEHIJDA-UHIISALHSA-N 0 3 260.312 2.895 20 30 CFEDHN C=C(C)CN(C)Cc1cn(-c2ccncc2)nc1C ZINC000346304387 393926090 /nfs/dbraw/zinc/92/60/90/393926090.db2.gz BNUCGJOAFKUQTJ-UHFFFAOYSA-N 0 3 256.353 2.584 20 30 CFEDHN CC[C@@H](Cn1cncn1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417369844 393952073 /nfs/dbraw/zinc/95/20/73/393952073.db2.gz RSNIZCJFZVCLQV-DOTOQJQBSA-N 0 3 295.390 2.596 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000121087110 393947855 /nfs/dbraw/zinc/94/78/55/393947855.db2.gz HMVXBKUNDLOBPK-CQSZACIVSA-N 0 3 260.381 2.936 20 30 CFEDHN C=CCCCN(C)CC(=O)N(CC(C)C)C1CC1 ZINC000121153460 393949002 /nfs/dbraw/zinc/94/90/02/393949002.db2.gz LZTROWGCCLJILE-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000121250424 393952679 /nfs/dbraw/zinc/95/26/79/393952679.db2.gz XPTZEDLSUGRSGF-HNNXBMFYSA-N 0 3 295.386 2.801 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)CC(C)(C)COC ZINC000348651531 393955599 /nfs/dbraw/zinc/95/55/99/393955599.db2.gz UFURIAVSIXUZIA-UHFFFAOYSA-N 0 3 281.396 2.823 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)CC1(O)CCCC1 ZINC000348969542 393961619 /nfs/dbraw/zinc/96/16/19/393961619.db2.gz VCUCBKQURWBJOP-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN CCN(C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000126256018 394023924 /nfs/dbraw/zinc/02/39/24/394023924.db2.gz QQKWESQBYGREAM-UHFFFAOYSA-N 0 3 268.364 2.915 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1CC(C)C ZINC000123524679 393982729 /nfs/dbraw/zinc/98/27/29/393982729.db2.gz GXMIPGCGYAGKJO-JKSUJKDBSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000123523095 393983188 /nfs/dbraw/zinc/98/31/88/393983188.db2.gz VFPFVPWKQYLMCB-CABCVRRESA-N 0 3 278.440 2.991 20 30 CFEDHN CC(C)[C@@H]1CN(c2cc(Cl)ccc2C#N)CCN1C ZINC000487099888 393983345 /nfs/dbraw/zinc/98/33/45/393983345.db2.gz NBVMSDSFQGJRQC-HNNXBMFYSA-N 0 3 277.799 2.988 20 30 CFEDHN CC(C)[C@H]1CN(c2cc(C#N)c3ccccc3n2)CCN1C ZINC000487104189 393984478 /nfs/dbraw/zinc/98/44/78/393984478.db2.gz ZGOBNGRYSXCOTF-QGZVFWFLSA-N 0 3 294.402 2.883 20 30 CFEDHN CC[C@H](C#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000123749975 393987007 /nfs/dbraw/zinc/98/70/07/393987007.db2.gz YRAIENPTPJNPMM-LLVKDONJSA-N 0 3 285.347 2.526 20 30 CFEDHN CC(C)N1C[C@H](C)[C@H](Nc2nc3c(cc2C#N)CCC3)C1 ZINC000268261327 393991153 /nfs/dbraw/zinc/99/11/53/393991153.db2.gz RLJGVSXOSFTGDI-BLLLJJGKSA-N 0 3 284.407 2.583 20 30 CFEDHN C=C(C)CN(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000351357083 393994749 /nfs/dbraw/zinc/99/47/49/393994749.db2.gz WRQUVQTZBXMHNY-UHFFFAOYSA-N 0 3 291.395 2.667 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@](C)(O)C1 ZINC000125052786 394001258 /nfs/dbraw/zinc/00/12/58/394001258.db2.gz CRSNIMYDGMFKDU-QGZVFWFLSA-N 0 3 272.392 2.835 20 30 CFEDHN C[C@H](O)C[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000269794195 394007074 /nfs/dbraw/zinc/00/70/74/394007074.db2.gz KICDSPJRVMFXSE-XJKSGUPXSA-N 0 3 277.795 2.927 20 30 CFEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000489445435 394040824 /nfs/dbraw/zinc/04/08/24/394040824.db2.gz XVZBASREFBBNPZ-CYBMUJFWSA-N 0 3 289.404 2.989 20 30 CFEDHN CC#CCCNCc1nc2ccc(Cl)cc2n1C ZINC000354181598 394042481 /nfs/dbraw/zinc/04/24/81/394042481.db2.gz WDOCDQJRNPLNOL-UHFFFAOYSA-N 0 3 261.756 2.730 20 30 CFEDHN C#C[C@H](CC)NC[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491418024 394049765 /nfs/dbraw/zinc/04/97/65/394049765.db2.gz PDDBLMXWBDRCEJ-ZIAGYGMSSA-N 0 3 285.309 2.914 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](CO)CC2)cc1 ZINC000354705911 394050643 /nfs/dbraw/zinc/05/06/43/394050643.db2.gz XTYQQKUOGRWDEZ-MRXNPFEDSA-N 0 3 275.392 2.846 20 30 CFEDHN C#C[C@@H](NCc1cn[nH]c1C)c1ccc(Cl)cc1F ZINC000491627052 394054711 /nfs/dbraw/zinc/05/47/11/394054711.db2.gz JOSSRGQTWZICHW-CQSZACIVSA-N 0 3 277.730 2.975 20 30 CFEDHN CN(Cc1ccc(C#N)s1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000130083150 394101842 /nfs/dbraw/zinc/10/18/42/394101842.db2.gz YXVWDMLZMPRTBZ-MCIONIFRSA-N 0 3 276.405 2.865 20 30 CFEDHN C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCCC[C@H]1C ZINC000437674827 394067801 /nfs/dbraw/zinc/06/78/01/394067801.db2.gz OSZWAQLMWJSOGH-NEPJUHHUSA-N 0 3 291.420 2.612 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355786071 394070805 /nfs/dbraw/zinc/07/08/05/394070805.db2.gz RSZAIEIEOMCGKM-KFWWJZLASA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCCC1(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000356201905 394075550 /nfs/dbraw/zinc/07/55/50/394075550.db2.gz IZMKCPHEGJDKPN-KGLIPLIRSA-N 0 3 264.413 2.674 20 30 CFEDHN C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000129733454 394093433 /nfs/dbraw/zinc/09/34/33/394093433.db2.gz GRUXVKWDYAGGDN-QAPCUYQASA-N 0 3 297.377 2.957 20 30 CFEDHN N#Cc1csc(CN(C[C@H]2CCOC2)C2CC2)c1 ZINC000130043094 394099830 /nfs/dbraw/zinc/09/98/30/394099830.db2.gz NAGJUEOCBBTKQU-LLVKDONJSA-N 0 3 262.378 2.621 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CCC[C@H]1SCC ZINC000286001582 394177511 /nfs/dbraw/zinc/17/75/11/394177511.db2.gz GICVZQGCGPQYCH-SOUVJXGZSA-N 0 3 296.480 2.839 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359388433 394131069 /nfs/dbraw/zinc/13/10/69/394131069.db2.gz KELZEVSKMGHGTB-INIZCTEOSA-N 0 3 299.418 2.621 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359388435 394131543 /nfs/dbraw/zinc/13/15/43/394131543.db2.gz KELZEVSKMGHGTB-MRXNPFEDSA-N 0 3 299.418 2.621 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cn[nH]c1)C(C)C ZINC000284277409 394136619 /nfs/dbraw/zinc/13/66/19/394136619.db2.gz XFLFPKXTOKWPOD-HOCLYGCPSA-N 0 3 276.428 2.759 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000442669278 394139591 /nfs/dbraw/zinc/13/95/91/394139591.db2.gz GNSZGOZWPBDNTR-HLLBOEOZSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCC[C@@H](N[C@@H](C)CN1CCN(C)CC1)c1ccco1 ZINC000285939484 394169072 /nfs/dbraw/zinc/16/90/72/394169072.db2.gz FQJFBUNANMMYSD-JKSUJKDBSA-N 0 3 291.439 2.512 20 30 CFEDHN CC#CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC ZINC000286540921 394197447 /nfs/dbraw/zinc/19/74/47/394197447.db2.gz YRUNUWGOZUPIOH-HNNXBMFYSA-N 0 3 292.810 2.862 20 30 CFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1nc(Cl)c(C#N)s1 ZINC000286558126 394197454 /nfs/dbraw/zinc/19/74/54/394197454.db2.gz WSYPLWKCOUBDLT-NXEZZACHSA-N 0 3 296.827 2.731 20 30 CFEDHN CC(C)[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000134980407 394207876 /nfs/dbraw/zinc/20/78/76/394207876.db2.gz MLVSAAQYMYWBLQ-ZFWWWQNUSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000287800522 394209847 /nfs/dbraw/zinc/20/98/47/394209847.db2.gz JOXQHBRVMJHAKV-APPZFPTMSA-N 0 3 282.800 2.563 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000448924801 394211162 /nfs/dbraw/zinc/21/11/62/394211162.db2.gz ZMGPCLGCLJMZKM-ZBFHGGJFSA-N 0 3 278.440 2.969 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)c(F)c1)OCC1CC1 ZINC000421385254 394214011 /nfs/dbraw/zinc/21/40/11/394214011.db2.gz QJJNSROWEJPRIK-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN C#Cc1ccc(CN[C@@]2(CO)CCCc3ccccc32)cc1 ZINC000289065823 394214686 /nfs/dbraw/zinc/21/46/86/394214686.db2.gz ARVNGBZHZATJTM-HXUWFJFHSA-N 0 3 291.394 2.982 20 30 CFEDHN C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(C#N)cc1 ZINC000290441515 394229255 /nfs/dbraw/zinc/22/92/55/394229255.db2.gz VPIIGTDGFALJCE-XZOAIXRZSA-N 0 3 294.354 2.703 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCC2 ZINC000286239723 394195393 /nfs/dbraw/zinc/19/53/93/394195393.db2.gz FFYYKROSEDNHKO-CZUORRHYSA-N 0 3 296.418 2.505 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)ccc1F ZINC000449548496 394281149 /nfs/dbraw/zinc/28/11/49/394281149.db2.gz NYISLSUMXHUPPW-CABCVRRESA-N 0 3 265.328 2.658 20 30 CFEDHN CC#CCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000155944527 394325789 /nfs/dbraw/zinc/32/57/89/394325789.db2.gz BUEWSQOWAFZBHM-MRXNPFEDSA-N 0 3 284.403 2.542 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N3C[C@H]4CCN(C)[C@H]4C3)c2c1 ZINC000450782264 394340401 /nfs/dbraw/zinc/34/04/01/394340401.db2.gz WRYUPKZLUDVZFE-DYVFJYSZSA-N 0 3 292.386 2.555 20 30 CFEDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000494236192 394346013 /nfs/dbraw/zinc/34/60/13/394346013.db2.gz BOBRXZRKOGFJMW-ZUZCIYMTSA-N 0 3 296.317 2.817 20 30 CFEDHN CN(CCCSCC#N)Cc1cccc(F)c1 ZINC000173862029 394377027 /nfs/dbraw/zinc/37/70/27/394377027.db2.gz JZQLBBVQJSSRLR-UHFFFAOYSA-N 0 3 252.358 2.904 20 30 CFEDHN CC#CCN1CCC(Cc2ccc(OC)cc2)CC1 ZINC000525633119 394382294 /nfs/dbraw/zinc/38/22/94/394382294.db2.gz LAKMLFSBKPOJES-UHFFFAOYSA-N 0 3 257.377 2.973 20 30 CFEDHN C=CCOCCN[C@H]1CCc2cc(F)c(OC)cc21 ZINC000684961331 542879588 /nfs/dbraw/zinc/87/95/88/542879588.db2.gz HFHVGRBWIAVRQV-AWEZNQCLSA-N 0 3 265.328 2.614 20 30 CFEDHN CN(CCCSCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000178417195 394388170 /nfs/dbraw/zinc/38/81/70/394388170.db2.gz YPWDTWREMQFSAE-IBGZPJMESA-N 0 3 296.461 2.503 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(C3CCCC3)CC2)C1=O ZINC000685002065 542886156 /nfs/dbraw/zinc/88/61/56/542886156.db2.gz ZTHZJUTWYPSRFV-INIZCTEOSA-N 0 3 276.424 2.676 20 30 CFEDHN N#Cc1ccc2ncc(CNCCOC3CCCCC3)n2c1 ZINC000538403172 394603249 /nfs/dbraw/zinc/60/32/49/394603249.db2.gz KDCGFYQVZVMSKF-UHFFFAOYSA-N 0 3 298.390 2.645 20 30 CFEDHN N#Cc1ccccc1CN[C@H](CO)C1CCCCC1 ZINC000542910850 394717085 /nfs/dbraw/zinc/71/70/85/394717085.db2.gz NBXJRKPJMBXILP-MRXNPFEDSA-N 0 3 258.365 2.589 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)cc1 ZINC000548126732 394913162 /nfs/dbraw/zinc/91/31/62/394913162.db2.gz LZMWNCGGGAQHSV-INIZCTEOSA-N 0 3 285.391 2.505 20 30 CFEDHN CC[C@H](NCCn1cnnc1C1CC1)c1ccc(C#N)cc1 ZINC000556078736 394989225 /nfs/dbraw/zinc/98/92/25/394989225.db2.gz ZBUHUPLFHDPMPJ-INIZCTEOSA-N 0 3 295.390 2.768 20 30 CFEDHN CC[C@@H]1CC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000558273913 395056672 /nfs/dbraw/zinc/05/66/72/395056672.db2.gz WNEXFLULWFTALN-DJIMGWMZSA-N 0 3 297.402 2.832 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc2cc(Cl)cnc2o1 ZINC000648517477 395182302 /nfs/dbraw/zinc/18/23/02/395182302.db2.gz SBUSCBIGOIQDHX-NSHDSACASA-N 0 3 266.728 2.508 20 30 CFEDHN C[C@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000647189392 395211409 /nfs/dbraw/zinc/21/14/09/395211409.db2.gz RORGQHUTLKJQIZ-SMDDNHRTSA-N 0 3 283.293 2.824 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647302295 395280619 /nfs/dbraw/zinc/28/06/19/395280619.db2.gz OIDSYLRWFVREIR-CPUCHLNUSA-N 0 3 289.423 2.851 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)n1 ZINC000136398125 292044300 /nfs/dbraw/zinc/04/43/00/292044300.db2.gz UYGABBSWBDNUDD-UXLLHSPISA-N 0 3 296.418 2.572 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288118 395272131 /nfs/dbraw/zinc/27/21/31/395272131.db2.gz MFVKOKGCTBFBJX-AWEZNQCLSA-N 0 3 288.439 2.520 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(OC)cc2)CC1 ZINC000649333281 395474231 /nfs/dbraw/zinc/47/42/31/395474231.db2.gz PRUQCSHRYANYSJ-QGZVFWFLSA-N 0 3 275.392 2.812 20 30 CFEDHN C=CCCCCN1CCN(c2cc(C)ccn2)CC1 ZINC000649353981 395476560 /nfs/dbraw/zinc/47/65/60/395476560.db2.gz DUJUXVYIBRYEBR-UHFFFAOYSA-N 0 3 259.397 2.868 20 30 CFEDHN C=C(C)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649748624 395565372 /nfs/dbraw/zinc/56/53/72/395565372.db2.gz AUMBSENWDBJWJW-QZTJIDSGSA-N 0 3 286.419 2.538 20 30 CFEDHN CC#CCCN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649779338 395570391 /nfs/dbraw/zinc/57/03/91/395570391.db2.gz LHTCGXZSJBOUNS-HIFRSBDPSA-N 0 3 287.407 2.861 20 30 CFEDHN C=C(CC)CN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649828435 395577618 /nfs/dbraw/zinc/57/76/18/395577618.db2.gz ITNXRGUAYZBSCK-KRWDZBQOSA-N 0 3 258.409 2.811 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000044809143 397568160 /nfs/dbraw/zinc/56/81/60/397568160.db2.gz ULLPZKSOAFFETA-JDDJGOSBSA-N 0 3 260.381 2.867 20 30 CFEDHN CC(C)CCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000048349330 397589528 /nfs/dbraw/zinc/58/95/28/397589528.db2.gz FBZBWYIEJRYXCB-CYBMUJFWSA-N 0 3 273.380 2.863 20 30 CFEDHN C[C@H]1CN(c2nc(Cl)c(C#N)s2)CCN(C2CC2)C1 ZINC000294965846 397634114 /nfs/dbraw/zinc/63/41/14/397634114.db2.gz NUPPSDOOXZYKBG-SECBINFHSA-N 0 3 296.827 2.589 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(OCCOC(C)C)CC1 ZINC000650251505 397737867 /nfs/dbraw/zinc/73/78/67/397737867.db2.gz VXLLPDKSUHBYRP-OAHLLOKOSA-N 0 3 267.413 2.694 20 30 CFEDHN Cn1cc(CN2CCC(C)(C3CC3)CC2)cc1C#N ZINC000356302299 155216894 /nfs/dbraw/zinc/21/68/94/155216894.db2.gz VRYOAAAZLUPXAN-UHFFFAOYSA-N 0 3 257.381 2.909 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC1(O)CCC1 ZINC000356408265 155256321 /nfs/dbraw/zinc/25/63/21/155256321.db2.gz IIRXMCOABCWTGB-UHFFFAOYSA-N 0 3 298.308 2.924 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000356566260 155303631 /nfs/dbraw/zinc/30/36/31/155303631.db2.gz NBBJDQAWJOLHEK-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000345694356 154241850 /nfs/dbraw/zinc/24/18/50/154241850.db2.gz AQNUZLPPYLJHBR-ZWKOPEQDSA-N 0 3 264.394 2.769 20 30 CFEDHN C[C@H](NCc1ccc(F)cc1C#N)[C@@H]1CCCOC1 ZINC000348143685 154338121 /nfs/dbraw/zinc/33/81/21/154338121.db2.gz QBSWOIRVEVKGLB-WCQYABFASA-N 0 3 262.328 2.602 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1F ZINC000355128029 154925717 /nfs/dbraw/zinc/92/57/17/154925717.db2.gz GZNXSMUNZOUWFA-BMFZPTHFSA-N 0 3 286.350 2.745 20 30 CFEDHN COCCC1(NCc2ccc(C#N)cc2F)CCC1 ZINC000355485597 155021174 /nfs/dbraw/zinc/02/11/74/155021174.db2.gz MJGGIBBYPHDSFC-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000358193424 155668280 /nfs/dbraw/zinc/66/82/80/155668280.db2.gz QXPKUUSSWAXXOB-GDBMZVCRSA-N 0 3 276.355 2.991 20 30 CFEDHN N#Cc1cc(CN2CC[C@]3(C2)CCCOC3)ccc1F ZINC000367056371 156273975 /nfs/dbraw/zinc/27/39/75/156273975.db2.gz YCZIDKABBBKCEE-INIZCTEOSA-N 0 3 274.339 2.700 20 30 CFEDHN C=CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000660451109 413328512 /nfs/dbraw/zinc/32/85/12/413328512.db2.gz XZVNPXOPVRIPMT-HOCLYGCPSA-N 0 3 287.407 2.697 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000374229832 157085145 /nfs/dbraw/zinc/08/51/45/157085145.db2.gz MCFCAAOPMFWJSK-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)c(F)c1 ZINC000375280502 157216502 /nfs/dbraw/zinc/21/65/02/157216502.db2.gz QXMVJJCRNSWXHM-MRXNPFEDSA-N 0 3 274.339 2.700 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000408225231 157388309 /nfs/dbraw/zinc/38/83/09/157388309.db2.gz JCPGIGPQMWUBDL-CHWSQXEVSA-N 0 3 270.380 2.607 20 30 CFEDHN C=CCCn1cc(CN2C[C@H](C)CCC[C@@H]2C)nn1 ZINC000653559136 413368167 /nfs/dbraw/zinc/36/81/67/413368167.db2.gz KKEXAXBEYZMUDG-KGLIPLIRSA-N 0 3 262.401 2.865 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000651273464 413390963 /nfs/dbraw/zinc/39/09/63/413390963.db2.gz NPTXAOJVJUMJKH-IAGOWNOFSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCn1cc(CN[C@H](Cc2ccccc2)C2CC2)nn1 ZINC000653609054 413400526 /nfs/dbraw/zinc/40/05/26/413400526.db2.gz VDWGSGNMKJPXCB-GOSISDBHSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)CCc2ccco2)nn1 ZINC000657288558 413399190 /nfs/dbraw/zinc/39/91/90/413399190.db2.gz DANGQFZHMDXFJL-CYBMUJFWSA-N 0 3 274.368 2.558 20 30 CFEDHN C=CCCn1cc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)nn1 ZINC000653612325 413404235 /nfs/dbraw/zinc/40/42/35/413404235.db2.gz KKWHJYBLZSTDBQ-IMJJTQAJSA-N 0 3 274.412 2.865 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1nc(C)c[nH]1)C(C)C ZINC000657307599 413426199 /nfs/dbraw/zinc/42/61/99/413426199.db2.gz QFGKLDROBRMAJP-HNNXBMFYSA-N 0 3 276.428 2.506 20 30 CFEDHN COc1cccc(C[C@H](C)NCc2ccc(C#N)o2)c1 ZINC000344301349 162001182 /nfs/dbraw/zinc/00/11/82/162001182.db2.gz INTWCJHWVSUBRA-LBPRGKRZSA-N 0 3 270.332 2.881 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccccc2)c(F)c1 ZINC000344783235 162121908 /nfs/dbraw/zinc/12/19/08/162121908.db2.gz ZIPYIMAVKHZDLR-INIZCTEOSA-N 0 3 284.334 2.563 20 30 CFEDHN C[C@H](NC[C@@]1(C)CCCO1)c1ccc(C#N)c(F)c1 ZINC000346140734 162329731 /nfs/dbraw/zinc/32/97/31/162329731.db2.gz VUFFAXUSKHCXEY-XHDPSFHLSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(C#N)c(F)c2)C1 ZINC000351645184 163166526 /nfs/dbraw/zinc/16/65/26/163166526.db2.gz CQPVSMLSWTZBJK-DOMZBBRYSA-N 0 3 276.355 2.680 20 30 CFEDHN COCCN(CC[C@H](C)F)Cc1ccc(C#N)cc1 ZINC000351859508 163206131 /nfs/dbraw/zinc/20/61/31/163206131.db2.gz WUZQXOUANJXLHV-ZDUSSCGKSA-N 0 3 264.344 2.755 20 30 CFEDHN CCCCN(C)CCNC(=O)c1cc(C#N)ccc1Cl ZINC000352860177 163256161 /nfs/dbraw/zinc/25/61/61/163256161.db2.gz HKSUDKWQCQNWQE-UHFFFAOYSA-N 0 3 293.798 2.673 20 30 CFEDHN Cc1cc(CN2CC[C@H](COC(F)F)C2)ccc1C#N ZINC000353022411 163288457 /nfs/dbraw/zinc/28/84/57/163288457.db2.gz LUPGMOZJRYBBML-ZDUSSCGKSA-N 0 3 280.318 2.928 20 30 CFEDHN CC(C)(C)C[C@@H](O)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353272128 163334973 /nfs/dbraw/zinc/33/49/73/163334973.db2.gz ADGVQHOEFVHZHW-ZBFHGGJFSA-N 0 3 272.392 2.932 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnc(C)s1 ZINC000651452882 413475131 /nfs/dbraw/zinc/47/51/31/413475131.db2.gz UTVMCDBDJHGIHN-WCQGTBRESA-N 0 3 252.383 2.836 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000284338964 196033739 /nfs/dbraw/zinc/03/37/39/196033739.db2.gz CAPBTCUGFPWWDN-IRXDYDNUSA-N 0 3 255.361 2.682 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000020208415 171072182 /nfs/dbraw/zinc/07/21/82/171072182.db2.gz BCRYGHXFPAQQLM-BBRMVZONSA-N 0 3 261.365 2.909 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@H]1CCCN(C(C)C)C1=O ZINC000284972486 196167767 /nfs/dbraw/zinc/16/77/67/196167767.db2.gz CZUPMHYZLHKZOY-ROUUACIJSA-N 0 3 298.430 2.610 20 30 CFEDHN C=CCN1CCC(NC(=O)NC(C)(C2CC2)C2CC2)CC1 ZINC000664020772 413521032 /nfs/dbraw/zinc/52/10/32/413521032.db2.gz UBGZVNPJJVQCQS-UHFFFAOYSA-N 0 3 291.439 2.515 20 30 CFEDHN C=CCCn1cc(CNC2CCC(F)(F)CC2)nn1 ZINC000657420506 413581641 /nfs/dbraw/zinc/58/16/41/413581641.db2.gz QUZLPRHXLSOFCP-UHFFFAOYSA-N 0 3 270.327 2.522 20 30 CFEDHN C=CC[C@H](CO)CNCc1cccc(F)c1OC(F)F ZINC000657427010 413590209 /nfs/dbraw/zinc/59/02/09/413590209.db2.gz OQDJJGWJOSBGNO-JTQLQIEISA-N 0 3 289.297 2.701 20 30 CFEDHN CCc1ccc([C@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000285386542 196268509 /nfs/dbraw/zinc/26/85/09/196268509.db2.gz DEXKPZUDHTYIMK-GOSISDBHSA-N 0 3 280.371 2.944 20 30 CFEDHN CCc1ccc([C@@H](O)CNCc2cccc(C#N)c2)cc1 ZINC000285386547 196268895 /nfs/dbraw/zinc/26/88/95/196268895.db2.gz DEXKPZUDHTYIMK-SFHVURJKSA-N 0 3 280.371 2.944 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nccn1C(C)C ZINC000657454760 413629761 /nfs/dbraw/zinc/62/97/61/413629761.db2.gz MAYYIECSBKYCRZ-HIFRSBDPSA-N 0 3 263.385 2.535 20 30 CFEDHN C=C(C)CNCc1cncc(Br)c1C ZINC000657462038 413637136 /nfs/dbraw/zinc/63/71/36/413637136.db2.gz BVLDMCYCEPIPCU-UHFFFAOYSA-N 0 3 255.159 2.818 20 30 CFEDHN C=CCCn1cc(CNC(C)(C)C(C)(C)C)nn1 ZINC000657473225 413651803 /nfs/dbraw/zinc/65/18/03/413651803.db2.gz GVFDVXCTKDRENG-UHFFFAOYSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cn(-c2cccc(C)c2)nc1C ZINC000651747539 413610440 /nfs/dbraw/zinc/61/04/40/413610440.db2.gz IBYNVIZAQOMPEJ-MRXNPFEDSA-N 0 3 299.418 2.763 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2C[C@@H]2c2ccccc2)nn1 ZINC000657497781 413688349 /nfs/dbraw/zinc/68/83/49/413688349.db2.gz BHNDRJFFUJBTQT-NVXWUHKLSA-N 0 3 282.391 2.748 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000661009585 413705371 /nfs/dbraw/zinc/70/53/71/413705371.db2.gz KMBUVGVUZWVAQE-CABCVRRESA-N 0 3 291.439 2.635 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2COC(C)(C)C2)cc1OC ZINC000657529455 413712403 /nfs/dbraw/zinc/71/24/03/413712403.db2.gz CPGYRCHTRSDQLN-CQSZACIVSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2COC(C)(C)C2)cc1OC ZINC000657529454 413712968 /nfs/dbraw/zinc/71/29/68/413712968.db2.gz CPGYRCHTRSDQLN-AWEZNQCLSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000654316860 413809959 /nfs/dbraw/zinc/80/99/59/413809959.db2.gz DMVZPMMDNWTCQZ-LSDHHAIUSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCC1(NCc2cn3cccc(F)c3n2)CCOCC1 ZINC000657633637 413812081 /nfs/dbraw/zinc/81/20/81/413812081.db2.gz SYVBGBISQVATDM-UHFFFAOYSA-N 0 3 289.354 2.688 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661121357 413768322 /nfs/dbraw/zinc/76/83/22/413768322.db2.gz CQVMYROMARAYFM-CHWSQXEVSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCNCc1c(C)nn(CC(C)C)c1OCC ZINC000657583006 413768517 /nfs/dbraw/zinc/76/85/17/413768517.db2.gz SINDKYQVEHIJOW-UHFFFAOYSA-N 0 3 265.401 2.912 20 30 CFEDHN C=CCCNCc1cn(-c2ccccc2F)nc1C ZINC000657583401 413769729 /nfs/dbraw/zinc/76/97/29/413769729.db2.gz KNMJZLPJEDSNCQ-UHFFFAOYSA-N 0 3 259.328 2.986 20 30 CFEDHN C=CCCNCc1ccc(OC)c(O)c1Br ZINC000657582698 413770766 /nfs/dbraw/zinc/77/07/66/413770766.db2.gz AOZOARWYLSEZKE-UHFFFAOYSA-N 0 3 286.169 2.829 20 30 CFEDHN CCCN(CCC)CC(=O)Nc1sccc1C#N ZINC000036744600 172672407 /nfs/dbraw/zinc/67/24/07/172672407.db2.gz SCYKUWAMFRTYQO-UHFFFAOYSA-N 0 3 265.382 2.680 20 30 CFEDHN C=CCOCCCNCc1c(C)nn(C(C)(C)C)c1C ZINC000657658399 413828028 /nfs/dbraw/zinc/82/80/28/413828028.db2.gz WHAJGCPCTGWLBB-UHFFFAOYSA-N 0 3 279.428 2.937 20 30 CFEDHN C=CCOCCCNCc1cncc(Br)c1C ZINC000657659002 413828145 /nfs/dbraw/zinc/82/81/45/413828145.db2.gz NJJRSKSSDZWZRG-UHFFFAOYSA-N 0 3 299.212 2.835 20 30 CFEDHN C=CCN(C[C@@H](Cc1ccccc1)OC)[C@H](C)COC ZINC000661241398 413839766 /nfs/dbraw/zinc/83/97/66/413839766.db2.gz XJSFGFXOYBOQET-NVXWUHKLSA-N 0 3 277.408 2.767 20 30 CFEDHN C=CCN(CCOc1ccccc1F)[C@@H](C)COC ZINC000661247330 413849819 /nfs/dbraw/zinc/84/98/19/413849819.db2.gz PKWNDTRHVQBCGI-ZDUSSCGKSA-N 0 3 267.344 2.727 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC(CC)CC)C1 ZINC000661379167 413937651 /nfs/dbraw/zinc/93/76/51/413937651.db2.gz VIGMTSREFPRYCZ-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N2CCCCC2)C1 ZINC000661379140 413939250 /nfs/dbraw/zinc/93/92/50/413939250.db2.gz UOXCAHUOJFRXKB-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H]1CCCN(CCn2cnc3ccccc3c2=O)C1 ZINC000661380300 413944213 /nfs/dbraw/zinc/94/42/13/413944213.db2.gz FHUGQPCAFDFPOF-OAHLLOKOSA-N 0 3 297.402 2.685 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661408129 413957838 /nfs/dbraw/zinc/95/78/38/413957838.db2.gz OSZUYSYIYGEXKH-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H]1CCCN1C ZINC000661419764 413965595 /nfs/dbraw/zinc/96/55/95/413965595.db2.gz QJFUQXXNBNDJQO-OAGGEKHMSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000664867995 413987500 /nfs/dbraw/zinc/98/75/00/413987500.db2.gz VGABEZVZQNGTPC-DZGCQCFKSA-N 0 3 275.396 2.553 20 30 CFEDHN CCC[C@]1(NCc2ccc(C#N)cc2F)CCOC1 ZINC000285659914 196357239 /nfs/dbraw/zinc/35/72/39/196357239.db2.gz SVHPCOWUOUILJQ-HNNXBMFYSA-N 0 3 262.328 2.746 20 30 CFEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037173173 173006970 /nfs/dbraw/zinc/00/69/70/173006970.db2.gz RCMKZONZBAXFEG-STQMWFEESA-N 0 3 273.380 2.863 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc2cnccc2o1 ZINC000657935944 414064642 /nfs/dbraw/zinc/06/46/42/414064642.db2.gz CCKWDNRILQVODR-NWDGAFQWSA-N 0 3 260.337 2.663 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(N)=O)co1 ZINC000657982733 414087984 /nfs/dbraw/zinc/08/79/84/414087984.db2.gz XBKGGPHWPSOSMB-RISCZKNCSA-N 0 3 262.353 2.603 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000652990954 414164962 /nfs/dbraw/zinc/16/49/62/414164962.db2.gz KAKAROKHEBYBKB-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCN(CC(=O)N1CCCC[C@@H]1C)C(C)(C)C ZINC000661755528 414194497 /nfs/dbraw/zinc/19/44/97/414194497.db2.gz SNGGRSYZCQWPQV-ZDUSSCGKSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000658115262 414213492 /nfs/dbraw/zinc/21/34/92/414213492.db2.gz ACSINPSSLSMNLD-JKSUJKDBSA-N 0 3 294.826 2.877 20 30 CFEDHN C=CCC1(NCc2nnc3n2CCCCC3)CCCC1 ZINC000661851365 414257623 /nfs/dbraw/zinc/25/76/23/414257623.db2.gz SYUTXNQYWFXLRW-UHFFFAOYSA-N 0 3 274.412 2.983 20 30 CFEDHN C=CCC1(NCc2cc(=O)n3ccsc3n2)CCCC1 ZINC000661861480 414268666 /nfs/dbraw/zinc/26/86/66/414268666.db2.gz BHJFCFOVMWOKHZ-UHFFFAOYSA-N 0 3 289.404 2.735 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000658209963 414284218 /nfs/dbraw/zinc/28/42/18/414284218.db2.gz LVKKMEJNMUIVNZ-ZDUSSCGKSA-N 0 3 288.395 2.589 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cn2ccccc2n1 ZINC000658208394 414285168 /nfs/dbraw/zinc/28/51/68/414285168.db2.gz ZTDJKSUMEPAGPF-CYBMUJFWSA-N 0 3 259.353 2.578 20 30 CFEDHN C=C(C)CN(CC)C(=O)COc1cc(C)nc(C)c1C ZINC000655677358 414355324 /nfs/dbraw/zinc/35/53/24/414355324.db2.gz LRWDFHZRVMQWGW-UHFFFAOYSA-N 0 3 276.380 2.810 20 30 CFEDHN C=CCCC1(CNC(=O)N2CCCN(C)CC2)CCCC1 ZINC000665584575 414381130 /nfs/dbraw/zinc/38/11/30/414381130.db2.gz BWTBGFZBKXERJA-UHFFFAOYSA-N 0 3 293.455 2.860 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000665393261 414323835 /nfs/dbraw/zinc/32/38/35/414323835.db2.gz RFYMQFGYCWGOHG-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@]1(C)CO ZINC000662138055 414428019 /nfs/dbraw/zinc/42/80/19/414428019.db2.gz BRBIICITLRTIPW-BBRMVZONSA-N 0 3 277.795 2.642 20 30 CFEDHN CCc1c[nH]c(=O)c(C(=O)C(C#N)c2nc(C)cs2)c1 ZINC000659010661 414429910 /nfs/dbraw/zinc/42/99/10/414429910.db2.gz VECSHSYYCNFWRK-NSHDSACASA-N 0 3 287.344 2.605 20 30 CFEDHN C=CCC[C@@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000662164439 414439921 /nfs/dbraw/zinc/43/99/21/414439921.db2.gz DEZFEYNMRUFUKL-YGRLFVJLSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C[C@H](CO)NCCOc1ccc(C(C)C)c(C)c1 ZINC000662164039 414440379 /nfs/dbraw/zinc/44/03/79/414440379.db2.gz WITJTZXMWGXASD-CQSZACIVSA-N 0 3 263.381 2.634 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCc1ccccc1 ZINC000662082711 414400972 /nfs/dbraw/zinc/40/09/72/414400972.db2.gz XGMOTJABOQVHST-RYQLBKOJSA-N 0 3 298.430 2.917 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N(C)C)nc1 ZINC000662089199 414404727 /nfs/dbraw/zinc/40/47/27/414404727.db2.gz UCSFMKCYRZYPFZ-GASCZTMLSA-N 0 3 257.381 2.831 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000659533640 414531806 /nfs/dbraw/zinc/53/18/06/414531806.db2.gz NSVVBQGPBMTXOS-AWEZNQCLSA-N 0 3 299.418 2.788 20 30 CFEDHN C=C1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659909596 414611989 /nfs/dbraw/zinc/61/19/89/414611989.db2.gz OJJHKHXUKHXWIN-HNNXBMFYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CCOc1ccc(CN(C[C@@H](C)O)C2CC2)cc1OC ZINC000656281236 414563408 /nfs/dbraw/zinc/56/34/08/414563408.db2.gz VJJYZTUSPUFTKF-CYBMUJFWSA-N 0 3 291.391 2.605 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCNC2(CCCCC2)C1 ZINC000656363563 414564463 /nfs/dbraw/zinc/56/44/63/414564463.db2.gz HRIQHGXMXMDRFW-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662878716 414626827 /nfs/dbraw/zinc/62/68/27/414626827.db2.gz ZNFAIEONLZUSOH-CZUORRHYSA-N 0 3 288.391 2.888 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C[C@H]1CNC(=O)C1 ZINC000659817902 414567745 /nfs/dbraw/zinc/56/77/45/414567745.db2.gz RDYGBSLJMWCPSS-SNVBAGLBSA-N 0 3 284.812 2.526 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1nc2c(cc1C#N)CCC2 ZINC000044348709 175166028 /nfs/dbraw/zinc/16/60/28/175166028.db2.gz FAHNTUPAGBISHY-ZDUSSCGKSA-N 0 3 284.407 2.728 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cc(Br)cs1 ZINC000044826273 175259170 /nfs/dbraw/zinc/25/91/70/175259170.db2.gz RYKGWFKNFFRNMB-SSDOTTSWSA-N 0 3 287.182 2.629 20 30 CFEDHN N#CCCCOc1cccc(CN[C@@H]2CCSC2)c1 ZINC000344765026 225159514 /nfs/dbraw/zinc/15/95/14/225159514.db2.gz OQBUZKUTFDMLHS-CQSZACIVSA-N 0 3 276.405 2.964 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000347063393 226010518 /nfs/dbraw/zinc/01/05/18/226010518.db2.gz HHJQCUBYULABKP-NSHDSACASA-N 0 3 254.289 2.722 20 30 CFEDHN COc1cccc(C2(CNC(=O)C(C)C#N)CCCC2)c1 ZINC000347099281 226048828 /nfs/dbraw/zinc/04/88/28/226048828.db2.gz DHVBCQIVSOTTCR-CYBMUJFWSA-N 0 3 286.375 2.783 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)NCC(=O)NC1(C#N)CCC1 ZINC000347233061 226074378 /nfs/dbraw/zinc/07/43/78/226074378.db2.gz PTTBCQUGPLAGLK-AWEZNQCLSA-N 0 3 285.391 2.517 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2)cc1 ZINC000347964009 226390080 /nfs/dbraw/zinc/39/00/80/226390080.db2.gz USTLBTODPSHOKR-KRWDZBQOSA-N 0 3 289.338 2.557 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000171741088 335076770 /nfs/dbraw/zinc/07/67/70/335076770.db2.gz VLGJGUSRAJMOOA-HOCLYGCPSA-N 0 3 293.455 2.857 20 30 CFEDHN N#CCCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000350628795 227046448 /nfs/dbraw/zinc/04/64/48/227046448.db2.gz XXVODKQTGLXHPV-UHFFFAOYSA-N 0 3 251.261 2.517 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000355018049 227317429 /nfs/dbraw/zinc/31/74/29/227317429.db2.gz CQKJHSSZKYXKHL-OUAUKWLOSA-N 0 3 260.312 2.820 20 30 CFEDHN CCc1noc(C)c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000329206444 227353029 /nfs/dbraw/zinc/35/30/29/227353029.db2.gz ZPAGRNBQPYZCDA-GFCCVEGCSA-N 0 3 291.395 2.867 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000330212789 228067723 /nfs/dbraw/zinc/06/77/23/228067723.db2.gz DWRYSOVCZXNCGH-ZBFHGGJFSA-N 0 3 292.354 2.879 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc3cc[nH]c3n2)C1 ZINC000353611912 228131006 /nfs/dbraw/zinc/13/10/06/228131006.db2.gz PNXOQLJATRZZTB-AAEUAGOBSA-N 0 3 254.337 2.735 20 30 CFEDHN O=C(NCCC1CC(O)C1)[C@H]1CCCN1C1CCCC1 ZINC000330341760 228160495 /nfs/dbraw/zinc/16/04/95/228160495.db2.gz ZRNFDGRXQNKWMO-PESDSKBTSA-N 0 3 280.412 2.511 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000332673043 228164949 /nfs/dbraw/zinc/16/49/49/228164949.db2.gz JAQFKVHWRHVSQV-RULNRJAQSA-N 0 3 260.312 2.725 20 30 CFEDHN Cc1cc(Br)cc(C)c1CNC(=O)C(C)C#N ZINC000335998657 228176276 /nfs/dbraw/zinc/17/62/76/228176276.db2.gz HOTHSAUMYDEOLY-JTQLQIEISA-N 0 3 295.180 2.842 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC(C)(C)C#N)C1 ZINC000352045559 228176909 /nfs/dbraw/zinc/17/69/09/228176909.db2.gz CHKPREBXXOSDOI-GDBMZVCRSA-N 0 3 299.418 2.878 20 30 CFEDHN N#CCCCN1CCC(OCc2ccccc2)CC1 ZINC000073106638 260165408 /nfs/dbraw/zinc/16/54/08/260165408.db2.gz CPJVALIUBMHPOC-UHFFFAOYSA-N 0 3 258.365 2.971 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000079555271 260176234 /nfs/dbraw/zinc/17/62/34/260176234.db2.gz PVPVGLVOAQYDAO-GDBMZVCRSA-N 0 3 299.418 2.705 20 30 CFEDHN CCN(CC(=O)Nc1nncs1)C1CCCCC1 ZINC000048572382 260200399 /nfs/dbraw/zinc/20/03/99/260200399.db2.gz WOAKLPLZVYFWGK-UHFFFAOYSA-N 0 3 268.386 2.781 20 30 CFEDHN N#CC1(c2ccccc2)CC(NCCc2ccccn2)C1 ZINC000086035983 260205997 /nfs/dbraw/zinc/20/59/97/260205997.db2.gz STORYWLVVVZLKY-UHFFFAOYSA-N 0 3 277.371 2.838 20 30 CFEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000086036528 260206913 /nfs/dbraw/zinc/20/69/13/260206913.db2.gz BHYPTIOTDKWSEG-PXZKZTPFSA-N 0 3 270.376 2.767 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000107071873 260232420 /nfs/dbraw/zinc/23/24/20/260232420.db2.gz YRBSLUPEJPCXJL-KBPBESRZSA-N 0 3 260.381 2.645 20 30 CFEDHN C#CCN1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000363416384 260255843 /nfs/dbraw/zinc/25/58/43/260255843.db2.gz OPMOXNQQJKDZST-UHFFFAOYSA-N 0 3 257.312 2.515 20 30 CFEDHN CC[C@H]1CN2CCCC[C@@H]2CN1CCC(C)(C)C#N ZINC000363467342 260263472 /nfs/dbraw/zinc/26/34/72/260263472.db2.gz JHKXMPAYDYWIIX-LSDHHAIUSA-N 0 3 263.429 2.875 20 30 CFEDHN N#Cc1cccc(CNCCOCC2CCCC2)c1 ZINC000313277815 260276797 /nfs/dbraw/zinc/27/67/97/260276797.db2.gz FIKMCTZZIVEFTI-UHFFFAOYSA-N 0 3 258.365 2.855 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CCC)CC(C)C)CC1 ZINC000518023729 260335795 /nfs/dbraw/zinc/33/57/95/260335795.db2.gz PBUBMOKFZQUXIW-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN CC1(C)CN(Cc2cccc(OCCCC#N)c2)C[C@@H]1O ZINC000448366132 261129688 /nfs/dbraw/zinc/12/96/88/261129688.db2.gz KTLVFAYINIXVEL-INIZCTEOSA-N 0 3 288.391 2.572 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)[C@@]1(C#N)C[C@H]1C)c1ccccc1 ZINC000448899490 261146986 /nfs/dbraw/zinc/14/69/86/261146986.db2.gz ODBGIIQGMSAYGV-QWQRMKEZSA-N 0 3 299.418 2.782 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000248876738 261208367 /nfs/dbraw/zinc/20/83/67/261208367.db2.gz RDPDTTAHNHNKLY-ANQUJSFKSA-N 0 3 297.402 2.852 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCCOC1 ZINC000490831030 261219805 /nfs/dbraw/zinc/21/98/05/261219805.db2.gz PXAMTFDGWDVKEF-HNNXBMFYSA-N 0 3 261.340 2.688 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000490916401 261246674 /nfs/dbraw/zinc/24/66/74/261246674.db2.gz SCCASELLZPCLMS-AWEZNQCLSA-N 0 3 266.344 2.944 20 30 CFEDHN C[C@H](C(=O)N[C@H](C#N)C1CCCCC1)N1CCCCCC1 ZINC000176624024 261300153 /nfs/dbraw/zinc/30/01/53/261300153.db2.gz ODCSXHGMYHQFGY-GDBMZVCRSA-N 0 3 291.439 2.840 20 30 CFEDHN C#CCCCC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000368462557 261307948 /nfs/dbraw/zinc/30/79/48/261307948.db2.gz OVONVQYHGQESQI-QGZVFWFLSA-N 0 3 284.403 2.571 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000106264773 261322874 /nfs/dbraw/zinc/32/28/74/261322874.db2.gz RDNNHKIYJMYJCL-GOEBONIOSA-N 0 3 293.455 2.905 20 30 CFEDHN N#CCOc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000171769118 261481360 /nfs/dbraw/zinc/48/13/60/261481360.db2.gz XQNXKFGWTLLWPO-UHFFFAOYSA-N 0 3 294.354 2.814 20 30 CFEDHN COc1ccccc1CCCN1CCC(C#N)CC1 ZINC000182419307 261937350 /nfs/dbraw/zinc/93/73/50/261937350.db2.gz OZELMTOPWDCFOV-UHFFFAOYSA-N 0 3 258.365 2.863 20 30 CFEDHN CC(C)(C#N)CCC[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000363881773 262001752 /nfs/dbraw/zinc/00/17/52/262001752.db2.gz KLKHFRMEYBFHBC-CQSZACIVSA-N 0 3 283.379 2.814 20 30 CFEDHN CCc1ccc([C@H](COC)NCCCSCC#N)o1 ZINC000184779436 262029388 /nfs/dbraw/zinc/02/93/88/262029388.db2.gz RKZSUDWKVMYRDI-ZDUSSCGKSA-N 0 3 282.409 2.766 20 30 CFEDHN CCN(Cc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1)C1CC1 ZINC000108841414 262063748 /nfs/dbraw/zinc/06/37/48/262063748.db2.gz SAKMJPQQRJLARI-QGZVFWFLSA-N 0 3 297.402 2.703 20 30 CFEDHN COCCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185777194 262069641 /nfs/dbraw/zinc/06/96/41/262069641.db2.gz ZXYRZLRYXYGTJR-CVEARBPZSA-N 0 3 288.391 2.884 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000185790270 262071833 /nfs/dbraw/zinc/07/18/33/262071833.db2.gz XJIZLIPPZRDZES-HOTGVXAUSA-N 0 3 297.402 2.985 20 30 CFEDHN C#CCSCCN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000371694517 262095035 /nfs/dbraw/zinc/09/50/35/262095035.db2.gz UBPPPERJUVJKKB-ZDUSSCGKSA-N 0 3 292.379 2.555 20 30 CFEDHN C[C@]1(c2ccccc2)CC[C@H](N2CCN(CC#N)CC2)C1 ZINC000187143886 262125731 /nfs/dbraw/zinc/12/57/31/262125731.db2.gz KINPTVWPXDOUKE-ROUUACIJSA-N 0 3 283.419 2.638 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000364163885 262159757 /nfs/dbraw/zinc/15/97/57/262159757.db2.gz ACYKWVJGUPPCTL-USXIJHARSA-N 0 3 286.419 2.803 20 30 CFEDHN C=CCCOCCNCc1c[nH]nc1-c1cccs1 ZINC000120835642 262237043 /nfs/dbraw/zinc/23/70/43/262237043.db2.gz DRCGTIHAPFCVHJ-UHFFFAOYSA-N 0 3 277.393 2.821 20 30 CFEDHN C=CCCOCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000120887223 262239200 /nfs/dbraw/zinc/23/92/00/262239200.db2.gz CUCORQXKDZVJMT-UHFFFAOYSA-N 0 3 264.325 2.586 20 30 CFEDHN Cc1ccn2c(c1)nnc2C1CCN(CCCC#N)CC1 ZINC000364597355 262255154 /nfs/dbraw/zinc/25/51/54/262255154.db2.gz DHJWGDXWQBJTFF-UHFFFAOYSA-N 0 3 283.379 2.521 20 30 CFEDHN C=CC1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000110365668 262257104 /nfs/dbraw/zinc/25/71/04/262257104.db2.gz XEYAYPBVPUFGFB-UHFFFAOYSA-N 0 3 272.392 2.786 20 30 CFEDHN C=CC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000111258004 262258181 /nfs/dbraw/zinc/25/81/81/262258181.db2.gz SQDNFGLSDWRCIZ-UHFFFAOYSA-N 0 3 276.424 2.818 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCCC2(CCCCC2)C1 ZINC000111323506 262259749 /nfs/dbraw/zinc/25/97/49/262259749.db2.gz UTHGRBXLDLBOGL-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C(F)(F)F)cc1 ZINC000184271588 262275787 /nfs/dbraw/zinc/27/57/87/262275787.db2.gz FPOZBRLYVOFKAR-LBPRGKRZSA-N 0 3 259.271 2.732 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1C(F)(F)F ZINC000184282034 262276368 /nfs/dbraw/zinc/27/63/68/262276368.db2.gz DEADZZIQVNEEKL-LLVKDONJSA-N 0 3 259.271 2.732 20 30 CFEDHN C=CCOc1ccccc1CNCCC1(O)CCC1 ZINC000341366451 262279922 /nfs/dbraw/zinc/27/99/22/262279922.db2.gz IKBVDTAPNVGLIF-UHFFFAOYSA-N 0 3 261.365 2.646 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495875644 262319568 /nfs/dbraw/zinc/31/95/68/262319568.db2.gz OOXDRVPSEPRBMK-STQMWFEESA-N 0 3 281.400 2.620 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000186820944 262325566 /nfs/dbraw/zinc/32/55/66/262325566.db2.gz ZPPJGJUCHYLVEE-CQSZACIVSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCC[C@H](NCc1c(C)nn(C)c1OC)C1CC1 ZINC000162373001 262329019 /nfs/dbraw/zinc/32/90/19/262329019.db2.gz WBBMDXQFNOJOIY-AWEZNQCLSA-N 0 3 263.385 2.572 20 30 CFEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H]1CCOC1 ZINC000336822980 262397402 /nfs/dbraw/zinc/39/74/02/262397402.db2.gz NSAHLISOSGOMAB-UAGQMJEPSA-N 0 3 270.376 2.795 20 30 CFEDHN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H]1CCOC1 ZINC000336822979 262397704 /nfs/dbraw/zinc/39/77/04/262397704.db2.gz NSAHLISOSGOMAB-OIISXLGYSA-N 0 3 270.376 2.795 20 30 CFEDHN C[C@@]1(CNC2CC(C#N)(c3ccccc3)C2)CCCO1 ZINC000094797263 262468025 /nfs/dbraw/zinc/46/80/25/262468025.db2.gz OAFGPDSLMGORTK-CGZBRXJRSA-N 0 3 270.376 2.769 20 30 CFEDHN CCc1nc2cc(CNC(=O)C(C)C#N)ccc2n1C1CC1 ZINC000338683123 262555858 /nfs/dbraw/zinc/55/58/58/262555858.db2.gz GFNMWPFLZVZLDN-LLVKDONJSA-N 0 3 296.374 2.709 20 30 CFEDHN C=CCOCCN1CCC(N2CCc3ccccc32)CC1 ZINC000339157085 262605512 /nfs/dbraw/zinc/60/55/12/262605512.db2.gz QLMHTHVNMMMKOK-UHFFFAOYSA-N 0 3 286.419 2.716 20 30 CFEDHN C=CCC(C)(C)CNCc1ncc(CN(C)C)s1 ZINC000339417992 262640053 /nfs/dbraw/zinc/64/00/53/262640053.db2.gz UEBKQKJEWBJCOP-UHFFFAOYSA-N 0 3 267.442 2.897 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000246062096 262672755 /nfs/dbraw/zinc/67/27/55/262672755.db2.gz WHDWTIQAZADIGM-MNOVXSKESA-N 0 3 251.292 2.588 20 30 CFEDHN C[C@@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1[C@@H](C)CC[C@@H]1C ZINC000413471139 262764452 /nfs/dbraw/zinc/76/44/52/262764452.db2.gz NCHYJAWKGFVEBW-MDLJMBGESA-N 0 3 291.439 2.836 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(CC#N)cc1 ZINC000270469724 262988811 /nfs/dbraw/zinc/98/88/11/262988811.db2.gz YRRDLNZDMUCATB-KRWDZBQOSA-N 0 3 299.418 2.747 20 30 CFEDHN CC1(C#N)CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000272578054 263007216 /nfs/dbraw/zinc/00/72/16/263007216.db2.gz XNCSLSMSZNJLCR-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C(=O)OCC)co1 ZINC000437251363 263007704 /nfs/dbraw/zinc/00/77/04/263007704.db2.gz ZVUJKWSDSZKENV-WFASDCNBSA-N 0 3 293.363 2.527 20 30 CFEDHN COc1ccc(OC)c(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000274250519 263022288 /nfs/dbraw/zinc/02/22/88/263022288.db2.gz YQBIQEOQNDTJEY-JSGCOSHPSA-N 0 3 274.364 2.876 20 30 CFEDHN CCN(C[C@H]1COc2ccccc2O1)[C@H](C)CCC#N ZINC000276340080 263036410 /nfs/dbraw/zinc/03/64/10/263036410.db2.gz TUCHYXQIVUKPOM-KGLIPLIRSA-N 0 3 274.364 2.841 20 30 CFEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278672625 263049610 /nfs/dbraw/zinc/04/96/10/263049610.db2.gz RCRFYUHOSUZKGN-RBSFLKMASA-N 0 3 286.375 2.841 20 30 CFEDHN C=CCN(CC=C)C(=O)CNC1(c2ccccc2)CCC1 ZINC000104665093 263052275 /nfs/dbraw/zinc/05/22/75/263052275.db2.gz SXNSNNCSYVFBND-UHFFFAOYSA-N 0 3 284.403 2.856 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)CC(C)(C)C#N)N(C)C)cc1 ZINC000279219857 263053802 /nfs/dbraw/zinc/05/38/02/263053802.db2.gz HXNQJDYHHAMZCV-HNNXBMFYSA-N 0 3 287.407 2.654 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000279354036 263054780 /nfs/dbraw/zinc/05/47/80/263054780.db2.gz QOLNDHUGFDOJPZ-SJORKVTESA-N 0 3 293.370 2.713 20 30 CFEDHN CO[C@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000279455396 263055508 /nfs/dbraw/zinc/05/55/08/263055508.db2.gz ZSRNBGVCPHGLDC-MRXNPFEDSA-N 0 3 274.364 2.590 20 30 CFEDHN C[C@H]1CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279490914 263055532 /nfs/dbraw/zinc/05/55/32/263055532.db2.gz XZUIXUAVOSSLKK-AWEZNQCLSA-N 0 3 295.390 2.843 20 30 CFEDHN CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCN(C)CC1 ZINC000279538235 263056041 /nfs/dbraw/zinc/05/60/41/263056041.db2.gz CMSRXWQBOIKVQL-UHFFFAOYSA-N 0 3 299.418 2.654 20 30 CFEDHN CCCN(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280128163 263059251 /nfs/dbraw/zinc/05/92/51/263059251.db2.gz YZQMHXQGTIGORW-QGZVFWFLSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000280311377 263060258 /nfs/dbraw/zinc/06/02/58/263060258.db2.gz GEADQGDISIHZRM-KEYYUXOJSA-N 0 3 295.386 2.888 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000366592894 263068243 /nfs/dbraw/zinc/06/82/43/263068243.db2.gz QMIFWXYGAUTEGA-DOTOQJQBSA-N 0 3 294.439 2.976 20 30 CFEDHN CC(C)(C#N)CCN[C@@]1(CO)CCCc2ccccc21 ZINC000281722749 263071472 /nfs/dbraw/zinc/07/14/72/263071472.db2.gz PGTLBCOFWQITLN-QGZVFWFLSA-N 0 3 272.392 2.740 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000340150598 263078464 /nfs/dbraw/zinc/07/84/64/263078464.db2.gz ZEASDJLSBUOCIW-CVEARBPZSA-N 0 3 286.419 2.899 20 30 CFEDHN CN1CC[C@@H](NCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000284400493 263086601 /nfs/dbraw/zinc/08/66/01/263086601.db2.gz WIIFZANXRGLKJS-CABCVRRESA-N 0 3 279.334 2.603 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000285032555 263089315 /nfs/dbraw/zinc/08/93/15/263089315.db2.gz 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/nfs/dbraw/zinc/24/70/10/266247010.db2.gz ICQPRDLQKOCBHL-UWVGGRQHSA-N 0 3 284.281 2.912 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000357275399 266270523 /nfs/dbraw/zinc/27/05/23/266270523.db2.gz RHODYDGCEUJXOG-UHFFFAOYSA-N 0 3 284.469 2.532 20 30 CFEDHN Cc1ccnc(CNC(=O)C(C#N)CCc2ccccc2)c1 ZINC000357422653 266293548 /nfs/dbraw/zinc/29/35/48/266293548.db2.gz GXRHSRBHGRDVCT-INIZCTEOSA-N 0 3 293.370 2.779 20 30 CFEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000357524217 266315602 /nfs/dbraw/zinc/31/56/02/266315602.db2.gz BLIMNPZYWUBTHN-CABCVRRESA-N 0 3 291.439 2.934 20 30 CFEDHN C=CCN(C[C@@H](O)COc1c(C)cccc1C)C1CC1 ZINC000357550481 266320292 /nfs/dbraw/zinc/32/02/92/266320292.db2.gz FFJIEMNQSCCYAD-MRXNPFEDSA-N 0 3 275.392 2.694 20 30 CFEDHN C=C(C)CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000357551913 266321641 /nfs/dbraw/zinc/32/16/41/266321641.db2.gz XTOYELVNCVXEKC-QWHCGFSZSA-N 0 3 279.384 2.584 20 30 CFEDHN C=CCN(CCc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000357553201 266322039 /nfs/dbraw/zinc/32/20/39/266322039.db2.gz ONQPSAQDVKANES-UHFFFAOYSA-N 0 3 269.348 2.528 20 30 CFEDHN C=CCN(CCCOc1cccc(C#N)c1)C1CC1 ZINC000357554797 266323305 /nfs/dbraw/zinc/32/33/05/266323305.db2.gz QJWXFEIFLZWEFG-UHFFFAOYSA-N 0 3 256.349 2.978 20 30 CFEDHN C=CCN(C(=O)NCC(C)(C)N1CCCCC1)C1CC1 ZINC000357569251 266326910 /nfs/dbraw/zinc/32/69/10/266326910.db2.gz LKTMTWOUGKIWPF-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000357796870 266364656 /nfs/dbraw/zinc/36/46/56/266364656.db2.gz KRBNAMAFYSXWCE-SECBINFHSA-N 0 3 286.253 2.703 20 30 CFEDHN C[C@H](C#N)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000357838121 266374202 /nfs/dbraw/zinc/37/42/02/266374202.db2.gz WIVARNWCAZNXMJ-CYBMUJFWSA-N 0 3 271.364 2.771 20 30 CFEDHN C=CCOc1ccccc1CNCCN1CC=C(C)CC1 ZINC000358171087 266433333 /nfs/dbraw/zinc/43/33/33/266433333.db2.gz SSNPRRKGTYMPQG-UHFFFAOYSA-N 0 3 286.419 2.993 20 30 CFEDHN CC[C@H](C(=O)N(CCC#N)CCC(C)C)N(CC)CC ZINC000359792300 266640169 /nfs/dbraw/zinc/64/01/69/266640169.db2.gz JXPUZZCBHGZJKB-OAHLLOKOSA-N 0 3 281.444 2.895 20 30 CFEDHN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000362541332 267004236 /nfs/dbraw/zinc/00/42/36/267004236.db2.gz LCPVNSIOFWWKAJ-OLZOCXBDSA-N 0 3 274.364 2.948 20 30 CFEDHN C=C[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000362612857 267021305 /nfs/dbraw/zinc/02/13/05/267021305.db2.gz JDOVEBKAVLKANG-CQSZACIVSA-N 0 3 272.392 2.589 20 30 CFEDHN C=CCN(CCC(=O)NCCCC)Cc1cccc(C#N)c1 ZINC000116274295 267136567 /nfs/dbraw/zinc/13/65/67/267136567.db2.gz JPIQMTDNFXVSMD-UHFFFAOYSA-N 0 3 299.418 2.853 20 30 CFEDHN C#C[C@@H](C)NCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000368038473 267140592 /nfs/dbraw/zinc/14/05/92/267140592.db2.gz PEBFYMVYGLLCJH-GFCCVEGCSA-N 0 3 279.343 2.945 20 30 CFEDHN C=CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116518168 267160248 /nfs/dbraw/zinc/16/02/48/267160248.db2.gz BPDMYPWEIXHTEV-CQSZACIVSA-N 0 3 287.407 2.697 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000368637552 267192851 /nfs/dbraw/zinc/19/28/51/267192851.db2.gz KXPAERNZCNGCLQ-OAHLLOKOSA-N 0 3 298.390 2.736 20 30 CFEDHN C=CCCCN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000117870709 267223623 /nfs/dbraw/zinc/22/36/23/267223623.db2.gz UKHRLBRRUZYXIL-UHFFFAOYSA-N 0 3 278.371 2.730 20 30 CFEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000369530460 267249317 /nfs/dbraw/zinc/24/93/17/267249317.db2.gz HELJGMUFUFDZFP-WBVHZDCISA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccs1 ZINC000369568162 267252386 /nfs/dbraw/zinc/25/23/86/267252386.db2.gz KCHCQOJBRPHPQQ-WFASDCNBSA-N 0 3 278.421 2.823 20 30 CFEDHN CC[C@H]1CN(CCCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000369798024 267266862 /nfs/dbraw/zinc/26/68/62/267266862.db2.gz APMUYSKSMARVMG-DOTOQJQBSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCCCN1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000369832052 267271087 /nfs/dbraw/zinc/27/10/87/267271087.db2.gz RRYJTZXDOZXOKK-CYBMUJFWSA-N 0 3 276.384 2.514 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@H](N2CCCCC2=O)C1 ZINC000370002920 267283130 /nfs/dbraw/zinc/28/31/30/267283130.db2.gz UWAUJBHFEZWPIW-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530918832 267284723 /nfs/dbraw/zinc/28/47/23/267284723.db2.gz NLIOKNKYATZUNJ-UHFFFAOYSA-N 0 3 293.370 2.801 20 30 CFEDHN N#CCCCCN1CCC(c2noc(C(F)F)n2)CC1 ZINC000370085708 267290119 /nfs/dbraw/zinc/29/01/19/267290119.db2.gz XLFXZGPGKXSLGF-UHFFFAOYSA-N 0 3 284.310 2.880 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000371066178 267349381 /nfs/dbraw/zinc/34/93/81/267349381.db2.gz RTVVVOUNZZJTRA-QGZVFWFLSA-N 0 3 287.378 2.926 20 30 CFEDHN CC#CCN[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374816725 267815190 /nfs/dbraw/zinc/81/51/90/267815190.db2.gz TYRLIAPKDVKBKS-GDBMZVCRSA-N 0 3 296.336 2.852 20 30 CFEDHN C=CCOCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000376846786 268023508 /nfs/dbraw/zinc/02/35/08/268023508.db2.gz TWBNRFAGKXOHAS-AWEZNQCLSA-N 0 3 265.328 2.832 20 30 CFEDHN Cn1cc(CNC2(c3ccccc3)CCOCC2)cc1C#N ZINC000517065739 268128211 /nfs/dbraw/zinc/12/82/11/268128211.db2.gz WTXGTKHQZKZLIX-UHFFFAOYSA-N 0 3 295.386 2.692 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](N3CCCCC3)C2)s1 ZINC000271149907 270278271 /nfs/dbraw/zinc/27/82/71/270278271.db2.gz COOFVEXSOBPWAG-CYBMUJFWSA-N 0 3 275.421 2.680 20 30 CFEDHN N#Cc1cccc(C2(NC[C@H]3CCCC[C@H]3O)CC2)c1 ZINC000516930487 270391434 /nfs/dbraw/zinc/39/14/34/270391434.db2.gz QJRPLFQUWSPOHE-GDBMZVCRSA-N 0 3 270.376 2.688 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(C#N)s1 ZINC000527805228 270535039 /nfs/dbraw/zinc/53/50/39/270535039.db2.gz UUVXCQJKEZAPJW-XHSYRHOGSA-N 0 3 250.367 2.521 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1C2CCC1CC2 ZINC000533237223 270877360 /nfs/dbraw/zinc/87/73/60/270877360.db2.gz GMOIIQRGYZFMGD-UHFFFAOYSA-N 0 3 275.377 2.575 20 30 CFEDHN CN(C)[C@H](CNc1cc(C#N)ccn1)c1ccc(F)cc1 ZINC000283661711 273815130 /nfs/dbraw/zinc/81/51/30/273815130.db2.gz WBSGMHGXSAUBSD-OAHLLOKOSA-N 0 3 284.338 2.807 20 30 CFEDHN C[C@@H](C(=O)N1CCc2ccc(C#N)cc21)N1[C@H](C)CC[C@@H]1C ZINC000270195660 274195206 /nfs/dbraw/zinc/19/52/06/274195206.db2.gz DIPRNTZEUOWNTF-MJBXVCDLSA-N 0 3 297.402 2.709 20 30 CFEDHN C[C@@H](CN(C)C)Nc1nc2c(cc1C#N)CCCC2(C)C ZINC000343787121 274212683 /nfs/dbraw/zinc/21/26/83/274212683.db2.gz HTODWPKXVIRBHY-LBPRGKRZSA-N 0 3 286.423 2.929 20 30 CFEDHN C[C@@H](N[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000063218226 274260874 /nfs/dbraw/zinc/26/08/74/274260874.db2.gz CKCFVKXERZDLFF-KDOFPFPSSA-N 0 3 280.371 2.812 20 30 CFEDHN C[C@@H](O)C(C)(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356444913 274264813 /nfs/dbraw/zinc/26/48/13/274264813.db2.gz YROVCZHLLGMYMR-SECBINFHSA-N 0 3 286.297 2.826 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000356188378 274922880 /nfs/dbraw/zinc/92/28/80/274922880.db2.gz DAABGHDAUTTXSQ-KGLIPLIRSA-N 0 3 298.308 2.970 20 30 CFEDHN C#CCCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000186495592 275379159 /nfs/dbraw/zinc/37/91/59/275379159.db2.gz BMJPXQQAAYDMLA-YJBOKZPZSA-N 0 3 286.419 2.988 20 30 CFEDHN C#CCCN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000270661615 275379429 /nfs/dbraw/zinc/37/94/29/275379429.db2.gz VXJLFPCSKKBTOR-ZIAGYGMSSA-N 0 3 284.186 2.907 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1ccc2ccccc2n1 ZINC000294962374 275380885 /nfs/dbraw/zinc/38/08/85/275380885.db2.gz JIXLYNMRBNCOAX-OAHLLOKOSA-N 0 3 281.403 2.841 20 30 CFEDHN CC(C)[C@@H](Cn1cccn1)NCc1ccc(C#N)c(F)c1 ZINC000404753450 275672583 /nfs/dbraw/zinc/67/25/83/275672583.db2.gz JILBFNFCVKYXDJ-MRXNPFEDSA-N 0 3 286.354 2.708 20 30 CFEDHN CC(C)[C@H](CNc1nccc(C#N)c1Cl)N1CCCC1 ZINC000341432940 276016911 /nfs/dbraw/zinc/01/69/11/276016911.db2.gz OWEHZIBYSPVKNC-ZDUSSCGKSA-N 0 3 292.814 2.561 20 30 CFEDHN CCC[C@]1(NCC#Cc2ccc(F)cc2)CCOC1 ZINC000285478003 276054025 /nfs/dbraw/zinc/05/40/25/276054025.db2.gz HWQWRCBTEXIEGH-INIZCTEOSA-N 0 3 261.340 2.726 20 30 CFEDHN CCN(CCC1CC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000355067269 276342625 /nfs/dbraw/zinc/34/26/25/276342625.db2.gz UTIOKBJYHAAXCE-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN CCN1CCC(N(C)c2nc(C)c(C#N)cc2Cl)CC1 ZINC000336833498 276358753 /nfs/dbraw/zinc/35/87/53/276358753.db2.gz ODMAZQYIGVJOSQ-UHFFFAOYSA-N 0 3 292.814 2.836 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000352979393 276907173 /nfs/dbraw/zinc/90/71/73/276907173.db2.gz JGNVZPKZNPOVPW-QAPCUYQASA-N 0 3 282.387 2.945 20 30 CFEDHN COC(=O)[C@]1(C)CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000177457232 277144785 /nfs/dbraw/zinc/14/47/85/277144785.db2.gz WEXSMXDSRKIPNL-MLGOLLRUSA-N 0 3 272.348 2.504 20 30 CFEDHN C[C@@H](CC1CCOCC1)CN1CCC(F)(C#N)CC1 ZINC000348705774 277561281 /nfs/dbraw/zinc/56/12/81/277561281.db2.gz GQOIDWRGNUVORG-ZDUSSCGKSA-N 0 3 268.376 2.767 20 30 CFEDHN C=C(Br)CN[C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000270450632 277762073 /nfs/dbraw/zinc/76/20/73/277762073.db2.gz MYFHTBWHODKFDZ-JQWIXIFHSA-N 0 3 290.201 2.607 20 30 CFEDHN C=CC[C@@H](CC)N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000280984712 277880413 /nfs/dbraw/zinc/88/04/13/277880413.db2.gz IQTVYOMTTYQWTJ-HUUCEWRRSA-N 0 3 260.381 2.760 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCN(C)C1CC1 ZINC000186758632 278305797 /nfs/dbraw/zinc/30/57/97/278305797.db2.gz BAYOFCGTGNUSDR-CYBMUJFWSA-N 0 3 257.381 2.645 20 30 CFEDHN CCCN(CCC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000355476099 278782068 /nfs/dbraw/zinc/78/20/68/278782068.db2.gz BUQRUGDQNSHCTN-AWEZNQCLSA-N 0 3 279.428 2.840 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000335671463 279180824 /nfs/dbraw/zinc/18/08/24/279180824.db2.gz MBSUBDNPRJLEOK-RISCZKNCSA-N 0 3 260.312 2.519 20 30 CFEDHN C[C@H](N[C@H]1COCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000335221908 279551490 /nfs/dbraw/zinc/55/14/90/279551490.db2.gz KLYNALCRGJFKFJ-HZMBPMFUSA-N 0 3 262.328 2.773 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344041194 280103456 /nfs/dbraw/zinc/10/34/56/280103456.db2.gz HKVHGVWJSTUEGW-JJRVBVJISA-N 0 3 293.455 2.797 20 30 CFEDHN Cc1cn[nH]c1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000289446980 280283084 /nfs/dbraw/zinc/28/30/84/280283084.db2.gz GNJRIFCOYMEVED-UHFFFAOYSA-N 0 3 293.292 2.878 20 30 CFEDHN CCCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000131196182 280713645 /nfs/dbraw/zinc/71/36/45/280713645.db2.gz UGXBOJHRBNXBDI-OAHLLOKOSA-N 0 3 285.391 2.645 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)N1CCC[C@H](C)C1 ZINC000247297978 281009270 /nfs/dbraw/zinc/00/92/70/281009270.db2.gz HWNPBFIYLHMPGB-QWHCGFSZSA-N 0 3 277.437 2.830 20 30 CFEDHN COC(=O)[C@@]1(C)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249088487 281047545 /nfs/dbraw/zinc/04/75/45/281047545.db2.gz CNVNYOUVHWPVLC-WBMJQRKESA-N 0 3 272.348 2.504 20 30 CFEDHN CC[C@H]1C[C@@H](CN2CCC(F)(C#N)CC2)CCO1 ZINC000348713458 281227970 /nfs/dbraw/zinc/22/79/70/281227970.db2.gz KUHJHLIUHHCEJG-STQMWFEESA-N 0 3 254.349 2.519 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000354199694 281283358 /nfs/dbraw/zinc/28/33/58/281283358.db2.gz HDOTULIUFSSAFR-GOEBONIOSA-N 0 3 279.428 2.553 20 30 CFEDHN N#Cc1ccc2nc(N3CCN(C4CCC4)CC3)ccc2c1 ZINC000536765909 281529479 /nfs/dbraw/zinc/52/94/79/281529479.db2.gz BSIDRSZNKYKJJN-UHFFFAOYSA-N 0 3 292.386 2.781 20 30 CFEDHN Cc1ccccc1[C@@H](CO)NCCOc1ccccc1C#N ZINC000541053383 281597167 /nfs/dbraw/zinc/59/71/67/281597167.db2.gz GFHDYCDKMKTKQG-QGZVFWFLSA-N 0 3 296.370 2.569 20 30 CFEDHN N#Cc1ccc2ncc(CNC[C@H]3CCCCS3)n2c1 ZINC000542484923 281626416 /nfs/dbraw/zinc/62/64/16/281626416.db2.gz AEQUHHDUVDCDNS-CQSZACIVSA-N 0 3 286.404 2.581 20 30 CFEDHN CC(C)(C)CCCCNCc1cnc2c(C#N)cnn2c1 ZINC000552771587 281866485 /nfs/dbraw/zinc/86/64/85/281866485.db2.gz WOQCVWGTTAQNIJ-UHFFFAOYSA-N 0 3 285.395 2.907 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1cc(C#N)ncn1)N(C)C ZINC000557754176 281971664 /nfs/dbraw/zinc/97/16/64/281971664.db2.gz PJQZXJLBQKIUMC-SUMWQHHRSA-N 0 3 295.390 2.760 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cn2)[C@H](C)[C@H]1OC ZINC000558245640 281978507 /nfs/dbraw/zinc/97/85/07/281978507.db2.gz HBXQPWLBZGQOFQ-APHBMKBZSA-N 0 3 287.407 2.883 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C[C@H]1CCC=CO1 ZINC000289970600 289144848 /nfs/dbraw/zinc/14/48/48/289144848.db2.gz ZANQIZRINCUALV-GOSISDBHSA-N 0 3 299.418 2.615 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C[C@@H]1CCC=CO1 ZINC000289970603 289144980 /nfs/dbraw/zinc/14/49/80/289144980.db2.gz ZANQIZRINCUALV-SFHVURJKSA-N 0 3 299.418 2.615 20 30 CFEDHN CN(C)C[C@@H]1CCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000337016110 289192624 /nfs/dbraw/zinc/19/26/24/289192624.db2.gz LUOFALYCNHQXAW-JTQLQIEISA-N 0 3 298.312 2.502 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000335724372 289236344 /nfs/dbraw/zinc/23/63/44/289236344.db2.gz IYCDCWKSAJGRJW-SKDRFNHKSA-N 0 3 276.311 2.704 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000335724369 289236595 /nfs/dbraw/zinc/23/65/95/289236595.db2.gz IYCDCWKSAJGRJW-BXKDBHETSA-N 0 3 276.311 2.704 20 30 CFEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)c1ccccc1 ZINC000265504761 289289020 /nfs/dbraw/zinc/28/90/20/289289020.db2.gz JAMULQSWJGTKAD-HNNXBMFYSA-N 0 3 266.348 2.668 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([C@H](C)O)C1 ZINC000305638809 290008746 /nfs/dbraw/zinc/00/87/46/290008746.db2.gz JCNSIMNWZVPUQU-DVOMOZLQSA-N 0 3 258.365 2.712 20 30 CFEDHN N#Cc1cnn2cc(CNCCCC3CCCC3)cnc12 ZINC000549763149 290037596 /nfs/dbraw/zinc/03/75/96/290037596.db2.gz FWUJLMLYTAEVDW-UHFFFAOYSA-N 0 3 283.379 2.661 20 30 CFEDHN C[C@H](O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000265453206 290068722 /nfs/dbraw/zinc/06/87/22/290068722.db2.gz DUHCPGJUCZKCDG-STQMWFEESA-N 0 3 258.365 2.712 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000563018464 290093739 /nfs/dbraw/zinc/09/37/39/290093739.db2.gz IBLHCTZAVHZDKG-MLGOLLRUSA-N 0 3 284.407 2.583 20 30 CFEDHN COCC1(NCc2ccc(C#N)c(OC)c2)CCCC1 ZINC000563441133 290151930 /nfs/dbraw/zinc/15/19/30/290151930.db2.gz WYBSHPXJEMHDMX-UHFFFAOYSA-N 0 3 274.364 2.616 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc3cc(C#N)ccc3n2)CN1C1CC1 ZINC000564568221 290215669 /nfs/dbraw/zinc/21/56/69/290215669.db2.gz PKGSMEKTIYUMNC-SWLSCSKDSA-N 0 3 292.386 2.565 20 30 CFEDHN N#Cc1ccc(CN[C@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000377023499 294916202 /nfs/dbraw/zinc/91/62/02/294916202.db2.gz ADESHBSIBHSKQF-PKOBYXMFSA-N 0 3 292.382 2.944 20 30 CFEDHN C=CCCNCc1ccccc1I ZINC000850354524 633951365 /nfs/dbraw/zinc/95/13/65/633951365.db2.gz MBRQBWLYJKZUNO-UHFFFAOYSA-N 0 3 287.144 2.957 20 30 CFEDHN C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085490410 782080421 /nfs/dbraw/zinc/08/04/21/782080421.db2.gz XGZAAZJKCXGPKZ-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085490410 782080432 /nfs/dbraw/zinc/08/04/32/782080432.db2.gz XGZAAZJKCXGPKZ-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000186710083 327701059 /nfs/dbraw/zinc/70/10/59/327701059.db2.gz HEJFONPYCZQXEQ-YOEHRIQHSA-N 0 3 285.391 2.519 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185755320 327844508 /nfs/dbraw/zinc/84/45/08/327844508.db2.gz IGQICIBHKLPAEU-JSGCOSHPSA-N 0 3 274.364 2.876 20 30 CFEDHN Cc1cc([C@@](C)(O)CN[C@@H]2CCC[C@H](C#N)C2)c(C)o1 ZINC000185843461 327847510 /nfs/dbraw/zinc/84/75/10/327847510.db2.gz XCCCGDSDLRHISR-LZWOXQAQSA-N 0 3 276.380 2.776 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc(-n3cccn3)c2)C1 ZINC000571038073 327979332 /nfs/dbraw/zinc/97/93/32/327979332.db2.gz ZMAVLIDTYJUXRY-HIFRSBDPSA-N 0 3 266.348 2.654 20 30 CFEDHN C=CCCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000338546680 327984521 /nfs/dbraw/zinc/98/45/21/327984521.db2.gz PJEHPTLZJJXSJE-UHFFFAOYSA-N 0 3 273.376 2.769 20 30 CFEDHN C=CCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000338761745 327989449 /nfs/dbraw/zinc/98/94/49/327989449.db2.gz KTYBRQRLTKZXGY-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCC(C)(C)CC2)nn1 ZINC000563634737 328079288 /nfs/dbraw/zinc/07/92/88/328079288.db2.gz FUGAOSIUOMBYKF-CYBMUJFWSA-N 0 3 262.401 2.913 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](C)C2)cc1 ZINC000261394124 328137502 /nfs/dbraw/zinc/13/75/02/328137502.db2.gz QXAQQMMMKTXOOT-JKSUJKDBSA-N 0 3 299.418 2.972 20 30 CFEDHN Cc1ccnc(OC2CCN(CCCCC#N)CC2)c1 ZINC000273021106 328202894 /nfs/dbraw/zinc/20/28/94/328202894.db2.gz SATMQVAXPCFLDX-UHFFFAOYSA-N 0 3 273.380 2.927 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000274637485 328212238 /nfs/dbraw/zinc/21/22/38/328212238.db2.gz QGTYLPRENKNURE-KCQAQPDRSA-N 0 3 299.374 2.986 20 30 CFEDHN C[C@H](CCC#N)N(C)CCOc1ccc(F)cc1 ZINC000276363446 328218084 /nfs/dbraw/zinc/21/80/84/328218084.db2.gz ZFDLRGHDDNMQJC-GFCCVEGCSA-N 0 3 250.317 2.829 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000281630729 328240647 /nfs/dbraw/zinc/24/06/47/328240647.db2.gz IFUUIBPEALJTNI-CZUORRHYSA-N 0 3 274.364 2.588 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1cccc(CC#N)c1 ZINC000287476550 328251204 /nfs/dbraw/zinc/25/12/04/328251204.db2.gz STKSNSHVVARHPQ-UHFFFAOYSA-N 0 3 299.418 2.701 20 30 CFEDHN Cc1cn[nH]c1CN[C@@H](CCC#N)c1ccccc1 ZINC000289556854 328255284 /nfs/dbraw/zinc/25/52/84/328255284.db2.gz QOVZAECSEXJFHX-AWEZNQCLSA-N 0 3 254.337 2.853 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1OC ZINC000321183967 329271610 /nfs/dbraw/zinc/27/16/10/329271610.db2.gz ZYVHNIFLJBDSCI-OLZOCXBDSA-N 0 3 279.380 2.682 20 30 CFEDHN CN(CCOCCC#N)Cc1cc2ccccc2o1 ZINC000292801573 328273759 /nfs/dbraw/zinc/27/37/59/328273759.db2.gz MHEDSQBQVVQXAO-UHFFFAOYSA-N 0 3 258.321 2.795 20 30 CFEDHN COc1cccc(C2CCN(CCOCCC#N)CC2)c1 ZINC000293274332 328274846 /nfs/dbraw/zinc/27/48/46/328274846.db2.gz YDHMTHORNPHJNA-UHFFFAOYSA-N 0 3 288.391 2.805 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1c1cccc(F)c1 ZINC000293419655 328275781 /nfs/dbraw/zinc/27/57/81/328275781.db2.gz INZKFNMXMJGOBW-HNNXBMFYSA-N 0 3 262.328 2.893 20 30 CFEDHN CN(CCOCCC#N)Cc1ccccc1N1CCCC1 ZINC000293527558 328276419 /nfs/dbraw/zinc/27/64/19/328276419.db2.gz PFQFPHUZNHWDLZ-UHFFFAOYSA-N 0 3 287.407 2.649 20 30 CFEDHN Cc1cccnc1OC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293979495 328278774 /nfs/dbraw/zinc/27/87/74/328278774.db2.gz DPMDXMAOSQAKGS-LSDHHAIUSA-N 0 3 285.391 2.926 20 30 CFEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCOCCC#N ZINC000293985275 328278782 /nfs/dbraw/zinc/27/87/82/328278782.db2.gz FDAFXXVUKPGTTG-HNNXBMFYSA-N 0 3 296.798 2.890 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccncc1F ZINC000340533722 328289839 /nfs/dbraw/zinc/28/98/39/328289839.db2.gz OROHEAYNNIZCGF-ZOWXZIJZSA-N 0 3 264.344 2.853 20 30 CFEDHN N#CC(C(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000048540397 328310990 /nfs/dbraw/zinc/31/09/90/328310990.db2.gz FLWATBMRTYBBAY-SNVBAGLBSA-N 0 3 258.227 2.850 20 30 CFEDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(C)C#N ZINC000531936145 328321597 /nfs/dbraw/zinc/32/15/97/328321597.db2.gz BLYKTUQJUIUGTK-SSDOTTSWSA-N 0 3 280.349 2.640 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1 ZINC000541890315 328364533 /nfs/dbraw/zinc/36/45/33/328364533.db2.gz POUFUXMEPXOFAL-HOCLYGCPSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@H](C)Cc1ccccc1C ZINC000121073453 328365069 /nfs/dbraw/zinc/36/50/69/328365069.db2.gz SKXSOPKWDPRUEG-MRXNPFEDSA-N 0 3 288.435 2.940 20 30 CFEDHN CC[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000574876267 322709217 /nfs/dbraw/zinc/70/92/17/322709217.db2.gz ASBXUDVKPAISNX-CVEARBPZSA-N 0 3 299.418 2.998 20 30 CFEDHN COC[C@H](NCCCSCC#N)c1ccc(F)cc1 ZINC000342308646 328418477 /nfs/dbraw/zinc/41/84/77/328418477.db2.gz GYNNXEJLLUBJIF-AWEZNQCLSA-N 0 3 282.384 2.750 20 30 CFEDHN COC1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000183153805 323905147 /nfs/dbraw/zinc/90/51/47/323905147.db2.gz MTBOVZYIMXYEEC-UHFFFAOYSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000129250477 328483378 /nfs/dbraw/zinc/48/33/78/328483378.db2.gz SGBPWPPQNVVJGT-MCIONIFRSA-N 0 3 252.402 2.672 20 30 CFEDHN CC1(C2CC2)CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000580312415 325024682 /nfs/dbraw/zinc/02/46/82/325024682.db2.gz OERGACUBRCPQJZ-UHFFFAOYSA-N 0 3 295.390 2.613 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000583061255 325256808 /nfs/dbraw/zinc/25/68/08/325256808.db2.gz QIWXDXBWZNRNKT-WBVHZDCISA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583755883 325308709 /nfs/dbraw/zinc/30/87/09/325308709.db2.gz HJACHQKZOFNKDI-GWCFXTLKSA-N 0 3 259.309 2.745 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000069040535 326900734 /nfs/dbraw/zinc/90/07/34/326900734.db2.gz SYYBLFZAJOGXPD-KFWWJZLASA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](OC)C2CC2)cc1 ZINC000339528240 327013004 /nfs/dbraw/zinc/01/30/04/327013004.db2.gz QEHNAZDYCLKDDK-MRXNPFEDSA-N 0 3 261.365 2.766 20 30 CFEDHN CC[C@@H]1CN(C)CCN1CCCCC(C)(C)C#N ZINC000577099195 327078269 /nfs/dbraw/zinc/07/82/69/327078269.db2.gz ACBORPDSQYKODU-CQSZACIVSA-N 0 3 251.418 2.732 20 30 CFEDHN CCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000076673636 327130279 /nfs/dbraw/zinc/13/02/79/327130279.db2.gz ZMUGERKQUMWEBQ-CYBMUJFWSA-N 0 3 291.370 2.803 20 30 CFEDHN CC#CCCN1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000564916830 327143780 /nfs/dbraw/zinc/14/37/80/327143780.db2.gz UMXKIUOVBOKREC-ZIAGYGMSSA-N 0 3 265.397 2.700 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000566174245 327155588 /nfs/dbraw/zinc/15/55/88/327155588.db2.gz QXKUKHVJASJPIP-QWHCGFSZSA-N 0 3 253.386 2.862 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1OC ZINC000569457094 327179627 /nfs/dbraw/zinc/17/96/27/327179627.db2.gz MSPBCWIYUMAZIV-JSGCOSHPSA-N 0 3 277.364 2.527 20 30 CFEDHN C=CCCCCCN(C)C[C@@](C)(O)C(F)(F)F ZINC000410380548 327189092 /nfs/dbraw/zinc/18/90/92/327189092.db2.gz TZAXZPAQLIWYLG-LLVKDONJSA-N 0 3 253.308 2.978 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2CO[C@H](C)C2)ccc1OC ZINC000564655832 327196292 /nfs/dbraw/zinc/19/62/92/327196292.db2.gz MGWIRBOEFGYALO-UKRRQHHQSA-N 0 3 291.391 2.917 20 30 CFEDHN CC(C)N1CCCC[C@@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000569577983 327200793 /nfs/dbraw/zinc/20/07/93/327200793.db2.gz GIZYGBAMISUBEH-QGZVFWFLSA-N 0 3 299.418 2.632 20 30 CFEDHN Cc1ccc(OCCN[C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000572705260 327209374 /nfs/dbraw/zinc/20/93/74/327209374.db2.gz FNBQHBRTEQMMHN-LSDHHAIUSA-N 0 3 258.365 2.964 20 30 CFEDHN C=C(C)CN1CC[C@@H](OCc2csc(C)n2)C1 ZINC000363730996 327232528 /nfs/dbraw/zinc/23/25/28/327232528.db2.gz CMMAFWQDKFTMBU-CYBMUJFWSA-N 0 3 252.383 2.619 20 30 CFEDHN C=C(C)CCNCc1nccn1Cc1ccccc1 ZINC000449480219 327250763 /nfs/dbraw/zinc/25/07/63/327250763.db2.gz XWSRDGDYALJTTJ-UHFFFAOYSA-N 0 3 255.365 2.987 20 30 CFEDHN C=C(Br)CN1CCC[C@@H](N2CCCCC2)C1 ZINC000369097784 327413556 /nfs/dbraw/zinc/41/35/56/327413556.db2.gz NIWUYIRDSIRGHQ-CYBMUJFWSA-N 0 3 287.245 2.845 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1CC ZINC000570594858 327602879 /nfs/dbraw/zinc/60/28/79/327602879.db2.gz FQRPLAPQEFBKJT-CVEARBPZSA-N 0 3 288.391 2.511 20 30 CFEDHN C=CCC1(C(=O)N(CCC)CCN(C)C)CCC1 ZINC000359494889 328897929 /nfs/dbraw/zinc/89/79/29/328897929.db2.gz SLSCIUQDHPLLQM-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN CC#CCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000360968700 328913361 /nfs/dbraw/zinc/91/33/61/328913361.db2.gz LXOATSXDIFBMTM-UHFFFAOYSA-N 0 3 292.386 2.967 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000361428006 328925658 /nfs/dbraw/zinc/92/56/58/328925658.db2.gz XLKXJDBJXLFJSZ-UAGQMJEPSA-N 0 3 272.392 2.954 20 30 CFEDHN CN(C(=O)CN1CCC[C@@H]1C1CC1)C1(C#N)CCCCC1 ZINC000377533840 329017671 /nfs/dbraw/zinc/01/76/71/329017671.db2.gz MWRQGEUNIQIGRJ-OAHLLOKOSA-N 0 3 289.423 2.546 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000377619993 329021086 /nfs/dbraw/zinc/02/10/86/329021086.db2.gz DNHDHLZZZYLFNR-GOSISDBHSA-N 0 3 278.355 2.716 20 30 CFEDHN C#Cc1ccc(CN[C@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000377629288 329021885 /nfs/dbraw/zinc/02/18/85/329021885.db2.gz RGNOETJPNOWLAZ-APWZRJJASA-N 0 3 277.367 2.978 20 30 CFEDHN C#Cc1ccc(CNCc2cccc(-n3cncn3)c2)cc1 ZINC000377648085 329022782 /nfs/dbraw/zinc/02/27/82/329022782.db2.gz KSQGQGDTFSICRA-UHFFFAOYSA-N 0 3 288.354 2.538 20 30 CFEDHN C=CCN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377663903 329023549 /nfs/dbraw/zinc/02/35/49/329023549.db2.gz DAJRMVLWEBVBCS-UONOGXRCSA-N 0 3 268.763 3.000 20 30 CFEDHN N#CCSCCCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377768601 329028545 /nfs/dbraw/zinc/02/85/45/329028545.db2.gz RFTKNBKSVCJBFX-UONOGXRCSA-N 0 3 280.437 2.667 20 30 CFEDHN CC(C)(CCC#N)CN1CCCN(CC(F)F)CC1 ZINC000377887123 329033419 /nfs/dbraw/zinc/03/34/19/329033419.db2.gz CWFAXBWQYIHLCT-UHFFFAOYSA-N 0 3 273.371 2.589 20 30 CFEDHN C=CCCC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000378094470 329039818 /nfs/dbraw/zinc/03/98/18/329039818.db2.gz VZGIQIWVOLNKKD-INIZCTEOSA-N 0 3 272.392 2.733 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@](CO)(C(C)C)C2)cc1 ZINC000378132941 329040885 /nfs/dbraw/zinc/04/08/85/329040885.db2.gz QXRKYPSSQOTGNZ-GOSISDBHSA-N 0 3 287.403 2.539 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(F)ccc2C)CC1 ZINC000171721581 329079205 /nfs/dbraw/zinc/07/92/05/329079205.db2.gz CSVUJZIVCUXLGR-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000172856328 329139433 /nfs/dbraw/zinc/13/94/33/329139433.db2.gz RVBGMYACBJGZNF-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC1CCC1)C(C)C ZINC000173399538 329146761 /nfs/dbraw/zinc/14/67/61/329146761.db2.gz HWHRPFAOUJOJMK-MRXNPFEDSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418338056 329161041 /nfs/dbraw/zinc/16/10/41/329161041.db2.gz YUOJGCRLEQDLIH-HNNXBMFYSA-N 0 3 275.396 2.637 20 30 CFEDHN N#CCSCCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000177189235 329181710 /nfs/dbraw/zinc/18/17/10/329181710.db2.gz JWPMJLNWCTZCRK-CHWSQXEVSA-N 0 3 270.467 2.993 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177542433 329185524 /nfs/dbraw/zinc/18/55/24/329185524.db2.gz XUUZTYXOWCUSQZ-RDJZCZTQSA-N 0 3 299.418 2.627 20 30 CFEDHN CCCCCCCN1CCN(C2CCOCC2)CC1 ZINC000177756049 329186689 /nfs/dbraw/zinc/18/66/89/329186689.db2.gz SCGOJXOQQXLXMC-UHFFFAOYSA-N 0 3 268.445 2.753 20 30 CFEDHN C=C(C)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178049203 329191969 /nfs/dbraw/zinc/19/19/69/329191969.db2.gz FGTBWISPFLUMFR-HNNXBMFYSA-N 0 3 272.392 2.705 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H]1CC ZINC000429270382 329195851 /nfs/dbraw/zinc/19/58/51/329195851.db2.gz FZFLPDKBUDRYBE-HZPDHXFCSA-N 0 3 275.392 2.639 20 30 CFEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000179396579 329205200 /nfs/dbraw/zinc/20/52/00/329205200.db2.gz JRKHGXPMNXKYDE-HNNXBMFYSA-N 0 3 288.391 2.980 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H]2CC(=O)OC)c1 ZINC000179890096 329213363 /nfs/dbraw/zinc/21/33/63/329213363.db2.gz XJSPQKSKRQLJIB-HNNXBMFYSA-N 0 3 289.375 2.779 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000180370646 329215333 /nfs/dbraw/zinc/21/53/33/329215333.db2.gz KQHIHMSEEKNOSW-OAHLLOKOSA-N 0 3 291.439 2.659 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000180383874 329215604 /nfs/dbraw/zinc/21/56/04/329215604.db2.gz FQCPLXWBEYJQGK-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(C)cc1C ZINC000181327513 329231556 /nfs/dbraw/zinc/23/15/56/329231556.db2.gz DSVTXRJEEIYZSM-HNNXBMFYSA-N 0 3 263.381 2.551 20 30 CFEDHN C=CCC[C@H](NCc1nnc2ccccn21)C1CC1 ZINC000183823095 329252794 /nfs/dbraw/zinc/25/27/94/329252794.db2.gz IRUFBLFAGIBWEF-ZDUSSCGKSA-N 0 3 256.353 2.564 20 30 CFEDHN CC#CCCCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000185208481 329268583 /nfs/dbraw/zinc/26/85/83/329268583.db2.gz WDKSDENPTZDXPO-UHFFFAOYSA-N 0 3 288.391 2.759 20 30 CFEDHN COc1c(O)cccc1CNCC(C)(C)CCC#N ZINC000584378365 329306922 /nfs/dbraw/zinc/30/69/22/329306922.db2.gz HCYHCEAVHAMWCH-UHFFFAOYSA-N 0 3 262.353 2.820 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000185867866 329333929 /nfs/dbraw/zinc/33/39/29/329333929.db2.gz ZKMURHQHTKFQRI-DZGCQCFKSA-N 0 3 296.374 2.951 20 30 CFEDHN C=CCn1cccc1C(=O)Nc1ccccc1CN(C)C ZINC000583179512 329340637 /nfs/dbraw/zinc/34/06/37/329340637.db2.gz FAZOSSHBKLQZEQ-UHFFFAOYSA-N 0 3 283.375 2.988 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(CC)(CC)CC1 ZINC000186556068 329345528 /nfs/dbraw/zinc/34/55/28/329345528.db2.gz YLFVSJWCOLGRAY-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@@H]1CCCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000187964737 329361849 /nfs/dbraw/zinc/36/18/49/329361849.db2.gz CBJHMKJVGFGXIM-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN Cc1cnccc1CNCc1ccc(CC#N)cc1 ZINC000398971109 329446765 /nfs/dbraw/zinc/44/67/65/329446765.db2.gz WCAQQLPLARBYGT-UHFFFAOYSA-N 0 3 251.333 2.746 20 30 CFEDHN C=CCC(C)(C)CN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000419191280 329712978 /nfs/dbraw/zinc/71/29/78/329712978.db2.gz WKKHNWBLMQPFSN-CYBMUJFWSA-N 0 3 264.344 2.544 20 30 CFEDHN C[C@H](NCCOCCC#N)c1ccccc1Cl ZINC000292896886 329953330 /nfs/dbraw/zinc/95/33/30/329953330.db2.gz VPIMMEJBFIBJEP-NSHDSACASA-N 0 3 252.745 2.921 20 30 CFEDHN C=CCC1(C(=O)N(C)C[C@H]2CCCN2C)CCCC1 ZINC000421709709 330069100 /nfs/dbraw/zinc/06/91/00/330069100.db2.gz GNQVFTCDBWVIPI-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN CN(C[C@H]1CCCN1C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000421709696 330069156 /nfs/dbraw/zinc/06/91/56/330069156.db2.gz GLUBPZPEUMCDHG-DLBZAZTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1CCCC[C@H]1CC ZINC000572428764 330071874 /nfs/dbraw/zinc/07/18/74/330071874.db2.gz LJAZNLPJAQJEDN-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC12CC2)C(C)C ZINC000421772903 330074969 /nfs/dbraw/zinc/07/49/69/330074969.db2.gz OVOUPDBFMBBPSJ-CABCVRRESA-N 0 3 276.424 2.601 20 30 CFEDHN C=CCN1CCC(NCc2nn(CC)c3ccccc23)CC1 ZINC000274451938 330105766 /nfs/dbraw/zinc/10/57/66/330105766.db2.gz QYZBFNGWBAHZCF-UHFFFAOYSA-N 0 3 298.434 2.796 20 30 CFEDHN CC#CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000278776794 330118347 /nfs/dbraw/zinc/11/83/47/330118347.db2.gz HBPVXKVSVUVGTG-NVXWUHKLSA-N 0 3 284.403 2.521 20 30 CFEDHN CC#CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000278776800 330122628 /nfs/dbraw/zinc/12/26/28/330122628.db2.gz HBPVXKVSVUVGTG-WBVHZDCISA-N 0 3 284.403 2.521 20 30 CFEDHN N#CCCC[C@@H](NCCN1CCCC1=O)c1ccccc1 ZINC000433023466 330122805 /nfs/dbraw/zinc/12/28/05/330122805.db2.gz QDGYTQGVXKQPBQ-MRXNPFEDSA-N 0 3 285.391 2.634 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)c1cc2ccccc2o1 ZINC000424058808 330218558 /nfs/dbraw/zinc/21/85/58/330218558.db2.gz ANYKWDPBQHKDSQ-WCQYABFASA-N 0 3 285.347 2.631 20 30 CFEDHN CC(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424068451 330219553 /nfs/dbraw/zinc/21/95/53/330219553.db2.gz SDVWKVZXVKLGKN-CVEARBPZSA-N 0 3 287.407 2.911 20 30 CFEDHN CC(C)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424071040 330220074 /nfs/dbraw/zinc/22/00/74/330220074.db2.gz YXTOABSTSRAYTN-AWEZNQCLSA-N 0 3 259.353 2.770 20 30 CFEDHN Cc1nc2ccc(NC(=O)[C@H](N)CCCC#N)cc2s1 ZINC000424079275 330221501 /nfs/dbraw/zinc/22/15/01/330221501.db2.gz QXWKXRCTUDZFIF-LLVKDONJSA-N 0 3 288.376 2.564 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424083312 330222277 /nfs/dbraw/zinc/22/22/77/330222277.db2.gz AVXFFEUTFFBXFK-UONOGXRCSA-N 0 3 293.798 2.928 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424105232 330234071 /nfs/dbraw/zinc/23/40/71/330234071.db2.gz QGQROWUFNIMQNL-TUVASFSCSA-N 0 3 279.428 2.585 20 30 CFEDHN CC(C)OCc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424106176 330234290 /nfs/dbraw/zinc/23/42/90/330234290.db2.gz LTQHNHVYPGZKMN-HNNXBMFYSA-N 0 3 289.379 2.571 20 30 CFEDHN CC(C)OCc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424106177 330234293 /nfs/dbraw/zinc/23/42/93/330234293.db2.gz LTQHNHVYPGZKMN-OAHLLOKOSA-N 0 3 289.379 2.571 20 30 CFEDHN CCC[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424111187 330239557 /nfs/dbraw/zinc/23/95/57/330239557.db2.gz GALKVBSLSJBSKR-HOTGVXAUSA-N 0 3 287.407 2.535 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000424118761 330244229 /nfs/dbraw/zinc/24/42/29/330244229.db2.gz CRZKCCRQVSRRLM-OAHLLOKOSA-N 0 3 291.439 2.971 20 30 CFEDHN CCC(CC)N(CC(C)C)C(=O)[C@@H](N)CCCC#N ZINC000424121835 330253403 /nfs/dbraw/zinc/25/34/03/330253403.db2.gz JCUYUCCJEYAKCH-AWEZNQCLSA-N 0 3 267.417 2.681 20 30 CFEDHN C[C@@H]([C@H](C)NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424129446 330260072 /nfs/dbraw/zinc/26/00/72/330260072.db2.gz SXWSVGYKOGWSOS-YDHLFZDLSA-N 0 3 279.428 2.729 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NC(=O)[C@H](N)CCCC#N)c1 ZINC000424135879 330270808 /nfs/dbraw/zinc/27/08/08/330270808.db2.gz KAMGBEKHAXTKDM-DZGCQCFKSA-N 0 3 273.380 2.502 20 30 CFEDHN C=C(C)CN1CCC(NCc2ccncc2Cl)CC1 ZINC000527656256 330273157 /nfs/dbraw/zinc/27/31/57/330273157.db2.gz FXENRVGELZIVTN-UHFFFAOYSA-N 0 3 279.815 2.865 20 30 CFEDHN C=CCOc1cccc(CN[C@@]23C[C@@H]2COC3(C)C)c1 ZINC000527766843 330281786 /nfs/dbraw/zinc/28/17/86/330281786.db2.gz QOVQJCIZELOBRC-PBHICJAKSA-N 0 3 273.376 2.909 20 30 CFEDHN Cc1ccccc1[C@@H](NC(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424142896 330286224 /nfs/dbraw/zinc/28/62/24/330286224.db2.gz QGLQDEDCKVQLSO-CVEARBPZSA-N 0 3 285.391 2.584 20 30 CFEDHN CC(C)CC(CC(C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424144911 330290022 /nfs/dbraw/zinc/29/00/22/330290022.db2.gz TVBSIERTNBISDN-AWEZNQCLSA-N 0 3 267.417 2.585 20 30 CFEDHN CC(C)Nc1cc(F)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424152041 330297202 /nfs/dbraw/zinc/29/72/02/330297202.db2.gz HVSYMYVKAUITHK-LBPRGKRZSA-N 0 3 292.358 2.606 20 30 CFEDHN Cn1cc2ccc(CN[C@@H]3CCC[C@@H](C#N)C3)cc2n1 ZINC000527967163 330301211 /nfs/dbraw/zinc/30/12/11/330301211.db2.gz XEJUNKJCIVSQTJ-IUODEOHRSA-N 0 3 268.364 2.745 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2CC(C)=C[C@H](C)C2)nn1 ZINC000424166876 330309424 /nfs/dbraw/zinc/30/94/24/330309424.db2.gz BRLWZZBUGZHAGX-JSGCOSHPSA-N 0 3 260.385 2.546 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000424170882 330311146 /nfs/dbraw/zinc/31/11/46/330311146.db2.gz KDGDQHLVLSEKPB-FZMZJTMJSA-N 0 3 291.782 2.668 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1csc(C2CC2)n1 ZINC000424172295 330311869 /nfs/dbraw/zinc/31/18/69/330311869.db2.gz LNCGYOCOKDRNDY-AAEUAGOBSA-N 0 3 264.394 2.701 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424174234 330314314 /nfs/dbraw/zinc/31/43/14/330314314.db2.gz NZLMQLLRXWYJCQ-UONOGXRCSA-N 0 3 273.380 2.502 20 30 CFEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000424178218 330318124 /nfs/dbraw/zinc/31/81/24/330318124.db2.gz WEKHOXGBIPSBKN-HYVNUMGLSA-N 0 3 299.418 2.802 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424280911 330333960 /nfs/dbraw/zinc/33/39/60/330333960.db2.gz MOMYTDKNNCTNCF-GHMZBOCLSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H]2c2ccccc2)nn1 ZINC000424293786 330335474 /nfs/dbraw/zinc/33/54/74/330335474.db2.gz JHLDJWHXHFTKGW-IAGOWNOFSA-N 0 3 282.391 2.890 20 30 CFEDHN C=CCn1cc(CN[C@@H](Cc2cccc(C)c2)C2CC2)nn1 ZINC000424293635 330335476 /nfs/dbraw/zinc/33/54/76/330335476.db2.gz JAHIDHNLBYRBBH-SFHVURJKSA-N 0 3 296.418 2.883 20 30 CFEDHN C=CCn1cc(CN[C@@H](CCC)C(C)(C)C)nn1 ZINC000424300407 330336990 /nfs/dbraw/zinc/33/69/90/330336990.db2.gz XKWVWFYITURMRS-ZDUSSCGKSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)C2C(C)(C)C2(C)C)nn1 ZINC000424300216 330337021 /nfs/dbraw/zinc/33/70/21/330337021.db2.gz XCWMXMIWNBFQJS-NSHDSACASA-N 0 3 262.401 2.624 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000424333532 330342960 /nfs/dbraw/zinc/34/29/60/330342960.db2.gz UMBCMGAZFPEOKJ-MBNYWOFBSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N2CCOCC2)c1 ZINC000424333965 330343019 /nfs/dbraw/zinc/34/30/19/330343019.db2.gz VAWCPKJWFNMXPN-YQQAZPJKSA-N 0 3 299.418 2.866 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000424430586 330351838 /nfs/dbraw/zinc/35/18/38/330351838.db2.gz CMWVXWLGOYRQQR-LBPRGKRZSA-N 0 3 286.379 2.610 20 30 CFEDHN CC(C)CN1CCN(CCCC(C)(C)C#N)CC1 ZINC000087608692 330373744 /nfs/dbraw/zinc/37/37/44/330373744.db2.gz GAESZJGUTFDARQ-UHFFFAOYSA-N 0 3 251.418 2.590 20 30 CFEDHN CC#CCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000119448825 330374355 /nfs/dbraw/zinc/37/43/55/330374355.db2.gz IIQZVXDFHUQYAC-UHFFFAOYSA-N 0 3 263.768 2.959 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccccc1N(C)C ZINC000090450828 330392487 /nfs/dbraw/zinc/39/24/87/330392487.db2.gz UPYKJEQYHNPQEB-AWEZNQCLSA-N 0 3 262.397 2.996 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccccc1N(C)C ZINC000090450830 330392544 /nfs/dbraw/zinc/39/25/44/330392544.db2.gz UPYKJEQYHNPQEB-CQSZACIVSA-N 0 3 262.397 2.996 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000429800449 330555131 /nfs/dbraw/zinc/55/51/31/330555131.db2.gz RWWQFKRNJNFLAT-LLVKDONJSA-N 0 3 259.309 2.939 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)C1 ZINC000442643080 330778086 /nfs/dbraw/zinc/77/80/86/330778086.db2.gz GIBVFNICJNPOHB-SJORKVTESA-N 0 3 280.375 2.713 20 30 CFEDHN CCCCNC(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442780848 330782475 /nfs/dbraw/zinc/78/24/75/330782475.db2.gz HDODRMPJYCKZPO-RDJZCZTQSA-N 0 3 299.418 2.998 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000442852049 330787017 /nfs/dbraw/zinc/78/70/17/330787017.db2.gz XMMHRAIKAJOPDX-OCCSQVGLSA-N 0 3 271.364 2.795 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000444615180 330815365 /nfs/dbraw/zinc/81/53/65/330815365.db2.gz ZOSAEVWFDCOFML-LBPRGKRZSA-N 0 3 282.409 2.675 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(C#N)C[C@@H]1C ZINC000448883442 330886831 /nfs/dbraw/zinc/88/68/31/330886831.db2.gz NXBUSOCDCAMPJN-KBXCAEBGSA-N 0 3 299.418 2.646 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@]1(C#N)C[C@H]1C ZINC000450100836 330961596 /nfs/dbraw/zinc/96/15/96/330961596.db2.gz BIAXZFLXSMPUGM-WBMJQRKESA-N 0 3 271.364 2.545 20 30 CFEDHN COCCN(C[C@@H]1CC=CCC1)CC1(C#N)CCC1 ZINC000450838840 331002079 /nfs/dbraw/zinc/00/20/79/331002079.db2.gz PRYAHCPAGBDTIW-OAHLLOKOSA-N 0 3 262.397 2.985 20 30 CFEDHN C=CCOCCCN1CCC=C(c2cccnc2)C1 ZINC000451029211 331012507 /nfs/dbraw/zinc/01/25/07/331012507.db2.gz UBHUXRCRLJOJIW-UHFFFAOYSA-N 0 3 258.365 2.763 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@]1(C#N)C[C@H]1C)N(C)C ZINC000451265513 331022341 /nfs/dbraw/zinc/02/23/41/331022341.db2.gz LTDKYLQIVRDVBY-OAOQPFQOSA-N 0 3 299.418 2.652 20 30 CFEDHN C=C(C)CCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451278466 331022767 /nfs/dbraw/zinc/02/27/67/331022767.db2.gz CPDCRJTUOHQZGX-CVEARBPZSA-N 0 3 263.356 2.753 20 30 CFEDHN C=CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451302981 331023767 /nfs/dbraw/zinc/02/37/67/331023767.db2.gz FVLZSVIXNLTRRF-LBPRGKRZSA-N 0 3 259.271 2.905 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCCOc1ccc(F)cc1Cl ZINC000451606858 331036349 /nfs/dbraw/zinc/03/63/49/331036349.db2.gz JCAQIBLPLLYSFI-OLZOCXBDSA-N 0 3 285.746 2.791 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cncc(C(F)(F)F)c1 ZINC000451683084 331039069 /nfs/dbraw/zinc/03/90/69/331039069.db2.gz RAFADSYVBJKUOI-OLZOCXBDSA-N 0 3 286.297 2.924 20 30 CFEDHN COC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000452110164 331054621 /nfs/dbraw/zinc/05/46/21/331054621.db2.gz YFOICNSRDMFYRJ-MRXNPFEDSA-N 0 3 275.367 2.926 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452342584 331062813 /nfs/dbraw/zinc/06/28/13/331062813.db2.gz IDWPCFVLYMBUEM-HOCLYGCPSA-N 0 3 279.428 2.553 20 30 CFEDHN CCC[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000452705817 331072640 /nfs/dbraw/zinc/07/26/40/331072640.db2.gz BCVFWXSFNPXYMZ-CVEARBPZSA-N 0 3 288.391 2.690 20 30 CFEDHN CCC1(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000452846889 331079274 /nfs/dbraw/zinc/07/92/74/331079274.db2.gz LAMWTMQOBBICTM-AWEZNQCLSA-N 0 3 256.349 2.818 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453162373 331095814 /nfs/dbraw/zinc/09/58/14/331095814.db2.gz KFAYXOIUMVTVPP-HUUCEWRRSA-N 0 3 299.418 2.922 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000453330946 331117750 /nfs/dbraw/zinc/11/77/50/331117750.db2.gz BSDHETFZGNOVDG-YUTCNCBUSA-N 0 3 275.348 2.800 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453343023 331119414 /nfs/dbraw/zinc/11/94/14/331119414.db2.gz DPNYVMLCHBBMSD-KYOSRNDESA-N 0 3 276.336 2.897 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1ccc(OC)c2F ZINC000453356575 331121782 /nfs/dbraw/zinc/12/17/82/331121782.db2.gz LWMKOZUSEZTAAG-MCIONIFRSA-N 0 3 277.339 2.755 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453358428 331121964 /nfs/dbraw/zinc/12/19/64/331121964.db2.gz OBYTVXKVZHCDLV-STQMWFEESA-N 0 3 278.352 2.881 20 30 CFEDHN 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/nfs/dbraw/zinc/02/01/52/334020152.db2.gz OQEUDMLPPWBWBZ-RDTXWAMCSA-N 0 3 299.418 2.763 20 30 CFEDHN C=CCC[C@@H](CCC)NCc1ccnc(N(C)C)n1 ZINC000546606833 334039876 /nfs/dbraw/zinc/03/98/76/334039876.db2.gz NMWDKHHLASOVLN-CYBMUJFWSA-N 0 3 262.401 2.767 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000546685667 334045472 /nfs/dbraw/zinc/04/54/72/334045472.db2.gz BIKAZTWISUFGFN-CMPLNLGQSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134018067 334077639 /nfs/dbraw/zinc/07/76/39/334077639.db2.gz BXXIFWKKTIWSMJ-OLZOCXBDSA-N 0 3 268.401 2.798 20 30 CFEDHN C[C@@H](C#N)CN[C@H](C)CCc1n[nH]c2ccccc21 ZINC000547362330 334083466 /nfs/dbraw/zinc/08/34/66/334083466.db2.gz WARUYFQSWSFSAL-NWDGAFQWSA-N 0 3 256.353 2.633 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CCCC(C)(C)C2)C1=O ZINC000547405764 334086048 /nfs/dbraw/zinc/08/60/48/334086048.db2.gz SWRXDPMDQJTCQR-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)COCCNCc1cnc(-c2ccccn2)s1 ZINC000134500918 334092231 /nfs/dbraw/zinc/09/22/31/334092231.db2.gz CCZOAFAOVYDCFT-UHFFFAOYSA-N 0 3 289.404 2.887 20 30 CFEDHN C=C(C)COCCNCc1cn(-c2ccccc2)nc1C ZINC000134509518 334092767 /nfs/dbraw/zinc/09/27/67/334092767.db2.gz AVJVDHLLQUZWHF-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H](C)c2cccc(C)c2)CC1 ZINC000078170796 334127107 /nfs/dbraw/zinc/12/71/07/334127107.db2.gz LSVFHFMVHJIYRX-INIZCTEOSA-N 0 3 298.430 2.560 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@H](CN1CCCC1)c1ccccc1 ZINC000548781966 334173719 /nfs/dbraw/zinc/17/37/19/334173719.db2.gz NOJXKMRNQSWYOA-FUHWJXTLSA-N 0 3 296.418 2.857 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246914687 334271831 /nfs/dbraw/zinc/27/18/31/334271831.db2.gz MSUGRURKHQHIEN-JLJPHGGASA-N 0 3 291.439 2.695 20 30 CFEDHN CCN(CC[C@H](C)N(CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000245743186 334216407 /nfs/dbraw/zinc/21/64/07/334216407.db2.gz FJZQLOPMTBWMBA-OAGGEKHMSA-N 0 3 278.444 2.728 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246203441 334240502 /nfs/dbraw/zinc/24/05/02/334240502.db2.gz WIKRTWXAXNETCM-JYYAWHABSA-N 0 3 291.439 2.694 20 30 CFEDHN C#CCN(C[C@@H](O)CC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000249497077 334334756 /nfs/dbraw/zinc/33/47/56/334334756.db2.gz WHSLZOURXPYFHX-ZFWWWQNUSA-N 0 3 297.320 2.922 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000152712821 334510082 /nfs/dbraw/zinc/51/00/82/334510082.db2.gz RKANBBOJUYTIFP-UHFFFAOYSA-N 0 3 290.794 2.932 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192504618 335266780 /nfs/dbraw/zinc/26/67/80/335266780.db2.gz ZHDVEZQIMHWOSW-QZTJIDSGSA-N 0 3 299.418 2.782 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000192504601 335266813 /nfs/dbraw/zinc/26/68/13/335266813.db2.gz ZHDVEZQIMHWOSW-ROUUACIJSA-N 0 3 299.418 2.782 20 30 CFEDHN C[C@H](CCc1ccc(O)cc1)NC[C@H](C#N)CCC#N ZINC000579343611 335736082 /nfs/dbraw/zinc/73/60/82/335736082.db2.gz GGFOURMQCFVXQJ-HIFRSBDPSA-N 0 3 271.364 2.746 20 30 CFEDHN N#CC1(c2ccccc2)CC(NCCC2(O)CCC2)C1 ZINC000368486790 335940494 /nfs/dbraw/zinc/94/04/94/335940494.db2.gz CYJGPVHDAYAQKM-UHFFFAOYSA-N 0 3 270.376 2.505 20 30 CFEDHN C=CCN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185640821 335954628 /nfs/dbraw/zinc/95/46/28/335954628.db2.gz SJQPVMLPCKWVPD-MRVPVSSYSA-N 0 3 261.291 2.899 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCC#Cc1ccccc1 ZINC000581364674 336061765 /nfs/dbraw/zinc/06/17/65/336061765.db2.gz CBHXEAGAIDFPLE-QFBILLFUSA-N 0 3 279.383 2.792 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C)cc1OC ZINC000581649496 336117805 /nfs/dbraw/zinc/11/78/05/336117805.db2.gz VKTJPMMSQZAOIQ-YUELXQCFSA-N 0 3 261.365 2.998 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccoc1CC ZINC001085571528 782102748 /nfs/dbraw/zinc/10/27/48/782102748.db2.gz FOJAZAJQXIHFKQ-AWEZNQCLSA-N 0 3 290.407 2.955 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085610578 782114589 /nfs/dbraw/zinc/11/45/89/782114589.db2.gz XCQACIONHCQBQN-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633095 782122988 /nfs/dbraw/zinc/12/29/88/782122988.db2.gz LWPBYXFYZMKKKO-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCCC)cc1 ZINC001085757561 782152985 /nfs/dbraw/zinc/15/29/85/782152985.db2.gz KLPOIHOTFKCGCN-QGZVFWFLSA-N 0 3 284.403 2.614 20 30 CFEDHN COc1cccc([C@@H](CNc2ncccc2C#N)N(C)C)c1 ZINC000022288793 533721415 /nfs/dbraw/zinc/72/14/15/533721415.db2.gz NIHFAJACSNEZQD-MRXNPFEDSA-N 0 3 296.374 2.677 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085776389 782157099 /nfs/dbraw/zinc/15/70/99/782157099.db2.gz QFCABHIDBHVGQX-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CN1C1CC1 ZINC000329218061 533761478 /nfs/dbraw/zinc/76/14/78/533761478.db2.gz RGNPYPIDRVQGQR-UKTARXLSSA-N 0 3 280.412 2.509 20 30 CFEDHN C[C@H](NCC1(CCO)CC1)c1ccc(C#N)c(F)c1 ZINC000427969000 533830336 /nfs/dbraw/zinc/83/03/36/533830336.db2.gz VZKRKBPASVVLGS-NSHDSACASA-N 0 3 262.328 2.511 20 30 CFEDHN Cc1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1C ZINC000354613536 533842621 /nfs/dbraw/zinc/84/26/21/533842621.db2.gz JWYDUMSYESVOJE-CYBMUJFWSA-N 0 3 256.349 2.954 20 30 CFEDHN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000334743313 533884374 /nfs/dbraw/zinc/88/43/74/533884374.db2.gz RMGFMIBJSRKAAE-RISCZKNCSA-N 0 3 260.312 2.957 20 30 CFEDHN COc1cc(CN[C@@H]2C[C@H]2c2ccco2)ccc1C#N ZINC000414586134 533901186 /nfs/dbraw/zinc/90/11/86/533901186.db2.gz OPBMZAIMTYNWHV-ZIAGYGMSSA-N 0 3 268.316 2.806 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775496 782157867 /nfs/dbraw/zinc/15/78/67/782157867.db2.gz WQWWFLZVZQVNBG-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN Cc1ccc(CNCCSCc2ccccc2C#N)nn1 ZINC000414263177 534058929 /nfs/dbraw/zinc/05/89/29/534058929.db2.gz PHGPSIMQLMOEGP-UHFFFAOYSA-N 0 3 298.415 2.680 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOCC(F)F ZINC000425536062 534078638 /nfs/dbraw/zinc/07/86/38/534078638.db2.gz OBBODEYNESHKHE-NSHDSACASA-N 0 3 268.307 2.833 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1cc(C#N)ccc1F ZINC000452026329 535753573 /nfs/dbraw/zinc/75/35/73/535753573.db2.gz UWZRMYSWMFKTTD-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN Cc1ccc(C[C@@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000336499058 534133240 /nfs/dbraw/zinc/13/32/40/534133240.db2.gz OBQOQTGFDWNMJP-HIFRSBDPSA-N 0 3 256.349 2.688 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000345766616 534283476 /nfs/dbraw/zinc/28/34/76/534283476.db2.gz AGIORWKIJQEMLW-BDAKNGLRSA-N 0 3 265.382 2.777 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000336002171 534283941 /nfs/dbraw/zinc/28/39/41/534283941.db2.gz VSFRZIWZNOVITP-SFYZADRCSA-N 0 3 254.692 2.816 20 30 CFEDHN CC(C#N)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000347103423 534284691 /nfs/dbraw/zinc/28/46/91/534284691.db2.gz JIKLWVDHGPHIPW-BXUZGUMPSA-N 0 3 292.354 2.895 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC000347035800 534284753 /nfs/dbraw/zinc/28/47/53/534284753.db2.gz LIIVWANTJRPXLQ-NXEZZACHSA-N 0 3 273.361 2.503 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000347101164 534284815 /nfs/dbraw/zinc/28/48/15/534284815.db2.gz GQFZONKGQMYFOF-NXEZZACHSA-N 0 3 286.360 2.542 20 30 CFEDHN Cc1noc(C)c1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000329199819 534317750 /nfs/dbraw/zinc/31/77/50/534317750.db2.gz XCJCGEXNDVECGL-LBPRGKRZSA-N 0 3 277.368 2.613 20 30 CFEDHN Clc1ccccc1C#CCN[C@@H]1CCO[C@@H]1C1CC1 ZINC000494447586 518194680 /nfs/dbraw/zinc/19/46/80/518194680.db2.gz SBKDKOPEEKCOKJ-HZPDHXFCSA-N 0 3 275.779 2.849 20 30 CFEDHN CC(C)COCCCNCc1ccc(C#N)cc1F ZINC000219958593 519754156 /nfs/dbraw/zinc/75/41/56/519754156.db2.gz OCHRRNXBPQPRCG-UHFFFAOYSA-N 0 3 264.344 2.850 20 30 CFEDHN CCOC[C@H](NCc1cc(C#N)ccc1OC)C(C)C ZINC000233777399 520149806 /nfs/dbraw/zinc/14/98/06/520149806.db2.gz TVYCTZUCARVOPL-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN CCN(CC(=O)Nc1cccc(C#N)c1)CC(C)(C)C ZINC000312583591 520364063 /nfs/dbraw/zinc/36/40/63/520364063.db2.gz PYKFINZFMYPSNS-UHFFFAOYSA-N 0 3 273.380 2.865 20 30 CFEDHN CCOc1cc(CNCc2cccc(C#N)c2)ccc1O ZINC000037748511 520722867 /nfs/dbraw/zinc/72/28/67/520722867.db2.gz HBIKLDQGPHAZRE-UHFFFAOYSA-N 0 3 282.343 2.952 20 30 CFEDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000069238154 520968951 /nfs/dbraw/zinc/96/89/51/520968951.db2.gz CLWLOAUGLBYTMQ-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN CCN(Cc1ccc(C#N)c(F)c1)C[C@@H](C)OC ZINC000361573224 521298193 /nfs/dbraw/zinc/29/81/93/521298193.db2.gz JWTWCQACCLPZJW-LLVKDONJSA-N 0 3 250.317 2.554 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000237959181 534565939 /nfs/dbraw/zinc/56/59/39/534565939.db2.gz XJABYTYRLKDOGV-OAHLLOKOSA-N 0 3 258.365 2.571 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NCc2cccc(C#N)c2)c1 ZINC000155687502 521916493 /nfs/dbraw/zinc/91/64/93/521916493.db2.gz ZLBNBZBDBPTJLX-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN CC[C@@H](C)CN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246347893 521974489 /nfs/dbraw/zinc/97/44/89/521974489.db2.gz FUIKOYLDRLCUMN-YPMHNXCESA-N 0 3 291.420 2.703 20 30 CFEDHN COc1cc(C#N)ccc1CN(CC1CCC1)[C@H](C)CO ZINC000361501608 522032546 /nfs/dbraw/zinc/03/25/46/522032546.db2.gz RUUOBNXWJGLQAN-CYBMUJFWSA-N 0 3 288.391 2.550 20 30 CFEDHN CC[C@@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192662759 522066615 /nfs/dbraw/zinc/06/66/15/522066615.db2.gz MNMPUTMESHMXAH-CZUORRHYSA-N 0 3 285.391 2.784 20 30 CFEDHN C=CCCC(=O)NCCCN(C)Cc1ccccc1 ZINC000263710959 534613694 /nfs/dbraw/zinc/61/36/94/534613694.db2.gz WLAUUWTVIHZLEQ-UHFFFAOYSA-N 0 3 260.381 2.591 20 30 CFEDHN CC[C@H](CCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305838595 522164599 /nfs/dbraw/zinc/16/45/99/522164599.db2.gz YCRBUVDMFRMJQJ-CMPLNLGQSA-N 0 3 250.317 2.509 20 30 CFEDHN CN(CC(=O)NCc1cccc(C#N)c1)CC1CCCCC1 ZINC000340833720 522482919 /nfs/dbraw/zinc/48/29/19/522482919.db2.gz IERXGYJSIDPSLD-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN Cc1nc2ccc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)cc2o1 ZINC000329980961 534648443 /nfs/dbraw/zinc/64/84/43/534648443.db2.gz MIUYZPMFTOKFBU-MEBBXXQBSA-N 0 3 299.374 2.924 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361466805 523297903 /nfs/dbraw/zinc/29/79/03/523297903.db2.gz AHRCYZHRWORANT-KRWDZBQOSA-N 0 3 293.370 2.607 20 30 CFEDHN Cn1c2ccccc2cc(CN[C@@H]2CCC[C@@H](C#N)C2)c1=O ZINC000336106924 534712537 /nfs/dbraw/zinc/71/25/37/534712537.db2.gz QOFXJROAOGTZGY-CZUORRHYSA-N 0 3 295.386 2.710 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CC(C)(C)C1 ZINC000335167960 523496065 /nfs/dbraw/zinc/49/60/65/523496065.db2.gz NXGVUTDDXWZASV-UHFFFAOYSA-N 0 3 268.364 2.826 20 30 CFEDHN CN1CC[C@@H](CNc2ccnc(C#N)c2)[C@H]1c1cccs1 ZINC000367731746 523957348 /nfs/dbraw/zinc/95/73/48/523957348.db2.gz XYOOTFOLPWVEIH-LRDDRELGSA-N 0 3 298.415 2.542 20 30 CFEDHN CN1CC[C@H](CNCc2ccc(C#N)o2)c2ccccc21 ZINC000174295969 523980934 /nfs/dbraw/zinc/98/09/34/523980934.db2.gz OWQKIYMSDFMACB-CYBMUJFWSA-N 0 3 281.359 2.865 20 30 CFEDHN C[C@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245525113 524122710 /nfs/dbraw/zinc/12/27/10/524122710.db2.gz ODUWDIHMTVHUHJ-BBRMVZONSA-N 0 3 283.375 2.538 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ccc(C#N)cc1F ZINC000049502136 524334080 /nfs/dbraw/zinc/33/40/80/524334080.db2.gz NDWYDHVFDXMHSQ-GFCCVEGCSA-N 0 3 261.344 2.984 20 30 CFEDHN C[C@H](Cn1cncn1)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360662561 524803020 /nfs/dbraw/zinc/80/30/20/524803020.db2.gz GZYSCAFCPWUHJA-CXAGYDPISA-N 0 3 295.390 2.596 20 30 CFEDHN Cc1csc(N2CCC(N[C@H]3CCC[C@@H]3C#N)CC2)n1 ZINC000350389978 534826250 /nfs/dbraw/zinc/82/62/50/534826250.db2.gz JKFCGGAHDOUUBZ-OCCSQVGLSA-N 0 3 290.436 2.702 20 30 CFEDHN C=CCN1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269343226 534847479 /nfs/dbraw/zinc/84/74/79/534847479.db2.gz CRUJYFSXGOKONP-UHFFFAOYSA-N 0 3 296.758 2.706 20 30 CFEDHN C[C@H](NCCOc1ccccc1C#N)c1cncc(F)c1 ZINC000361131373 525361444 /nfs/dbraw/zinc/36/14/44/525361444.db2.gz IZUIXZPZOVDARB-LBPRGKRZSA-N 0 3 285.322 2.822 20 30 CFEDHN C[C@H](NCc1cc(C#N)cs1)[C@H](O)Cc1ccccc1 ZINC000305213311 525431408 /nfs/dbraw/zinc/43/14/08/525431408.db2.gz QIQMDQVWWDJJDQ-BLLLJJGKSA-N 0 3 286.400 2.701 20 30 CFEDHN C[C@H](N[C@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000305818137 525605588 /nfs/dbraw/zinc/60/55/88/525605588.db2.gz NISJCVKGUPYBHV-LKTVYLICSA-N 0 3 262.328 2.651 20 30 CFEDHN C=CCOc1cccc(NC(=O)C2(N)CCCCC2)c1 ZINC000237807120 534883989 /nfs/dbraw/zinc/88/39/89/534883989.db2.gz BPICMJHYALIOOV-UHFFFAOYSA-N 0 3 274.364 2.852 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000353118037 526317128 /nfs/dbraw/zinc/31/71/28/526317128.db2.gz SDPSOFVOFOPGEB-GJZGRUSLSA-N 0 3 290.407 2.710 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC2(F)CCC2)CC1 ZINC000344743549 526587943 /nfs/dbraw/zinc/58/79/43/526587943.db2.gz SESBVWCPKRDUIT-UHFFFAOYSA-N 0 3 297.418 2.608 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCc3ccccc32)CC1 ZINC000106315598 526589411 /nfs/dbraw/zinc/58/94/11/526589411.db2.gz ZPAJRVXNBCZHPQ-UHFFFAOYSA-N 0 3 299.418 2.799 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000106039968 526600575 /nfs/dbraw/zinc/60/05/75/526600575.db2.gz ZKLLBHWBCOPWSA-UHFFFAOYSA-N 0 3 276.355 2.596 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@]3(CCOC3)C2)s1 ZINC000336224857 526613344 /nfs/dbraw/zinc/61/33/44/526613344.db2.gz JIRZNBHEFKXBJL-CQSZACIVSA-N 0 3 262.378 2.622 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000336440213 526616884 /nfs/dbraw/zinc/61/68/84/526616884.db2.gz BBPRDCANJCQNNU-ZFWWWQNUSA-N 0 3 274.339 2.556 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2cccn2)o1 ZINC000173573169 526625472 /nfs/dbraw/zinc/62/54/72/526625472.db2.gz MWDOQGGZYAFGQA-CABCVRRESA-N 0 3 270.336 2.621 20 30 CFEDHN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2C2CCC2)cc1 ZINC000170872389 526650436 /nfs/dbraw/zinc/65/04/36/526650436.db2.gz QBQSIDWXPGHDMN-MRXNPFEDSA-N 0 3 283.375 2.761 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccccc2F)cc1 ZINC000078668478 526676161 /nfs/dbraw/zinc/67/61/61/526676161.db2.gz QLMYLZHHXVVXQQ-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246417841 526704812 /nfs/dbraw/zinc/70/48/12/526704812.db2.gz AIDBAPVEGODCFH-JKSUJKDBSA-N 0 3 256.349 2.559 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344647902 526711024 /nfs/dbraw/zinc/71/10/24/526711024.db2.gz SUQKREBPRVGXGG-KBPBESRZSA-N 0 3 266.429 2.825 20 30 CFEDHN N#Cc1cccc(OCCN2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000363411728 526728179 /nfs/dbraw/zinc/72/81/79/526728179.db2.gz MCQJMGCMIOQVLR-IRXDYDNUSA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1ccccc1N1CCN(CCc2ccccc2)CC1 ZINC000073394336 526741618 /nfs/dbraw/zinc/74/16/18/526741618.db2.gz BHDBQUGAARRIGI-UHFFFAOYSA-N 0 3 291.398 2.923 20 30 CFEDHN C=CCOCCCN1CCC(c2nccs2)CC1 ZINC000347975480 526752040 /nfs/dbraw/zinc/75/20/40/526752040.db2.gz VWNGJALCHSJSKT-UHFFFAOYSA-N 0 3 266.410 2.915 20 30 CFEDHN C=CCOCCCN1CCC[C@H](c2nccs2)C1 ZINC000347967464 526754696 /nfs/dbraw/zinc/75/46/96/526754696.db2.gz OPHZTPIDLAFYQG-ZDUSSCGKSA-N 0 3 266.410 2.915 20 30 CFEDHN C=CCOCCCN1CCN(Cc2cccc(C)c2)CC1 ZINC000347968391 526755563 /nfs/dbraw/zinc/75/55/63/526755563.db2.gz QZVVMGIWTVXNLH-UHFFFAOYSA-N 0 3 288.435 2.705 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000336224826 526782147 /nfs/dbraw/zinc/78/21/47/526782147.db2.gz GTEIFCGOVQEREM-CQSZACIVSA-N 0 3 262.378 2.622 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@H]1CCN(C2CC2)C1 ZINC000353331911 526930234 /nfs/dbraw/zinc/93/02/34/526930234.db2.gz XCWREFPRZWPFNC-KRWDZBQOSA-N 0 3 286.419 2.920 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](c2nc(C)no2)C1 ZINC000344860186 526932894 /nfs/dbraw/zinc/93/28/94/526932894.db2.gz VPBGQPUMKPSIQU-OAHLLOKOSA-N 0 3 299.374 2.932 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000353692968 526983441 /nfs/dbraw/zinc/98/34/41/526983441.db2.gz WJAYOWYQOZBDMI-LBPRGKRZSA-N 0 3 278.318 2.706 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344644426 527029491 /nfs/dbraw/zinc/02/94/91/527029491.db2.gz OFWSYZLSGCDVLZ-OAHLLOKOSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N(C)CC(F)(F)F ZINC000351896995 527127573 /nfs/dbraw/zinc/12/75/73/527127573.db2.gz KCMXJZOELNQAJG-UHFFFAOYSA-N 0 3 280.334 2.685 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000353355953 527189631 /nfs/dbraw/zinc/18/96/31/527189631.db2.gz UDTISBHVOCUJSR-WFASDCNBSA-N 0 3 283.799 2.802 20 30 CFEDHN C=CCCCN[C@@H](c1nnc2ccccn21)C(C)C ZINC000347666934 527235323 /nfs/dbraw/zinc/23/53/23/527235323.db2.gz GEWRDXBYTSANDB-CQSZACIVSA-N 0 3 258.369 2.982 20 30 CFEDHN CC(C)(C#N)CCCN[C@@](C)(CO)c1cccc(O)c1 ZINC000347720333 527464647 /nfs/dbraw/zinc/46/46/47/527464647.db2.gz NOUDXZAZTUAESJ-INIZCTEOSA-N 0 3 276.380 2.519 20 30 CFEDHN CC(C)(C#N)CCN1CCOCC12CCCCC2 ZINC000334690228 527467394 /nfs/dbraw/zinc/46/73/94/527467394.db2.gz PHWDQLHJSOUWFX-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CC(C)C1)C(C)C ZINC000356012147 527648957 /nfs/dbraw/zinc/64/89/57/527648957.db2.gz LTDWMBUFMZDNGW-UYSNPLJNSA-N 0 3 293.455 2.783 20 30 CFEDHN CC1CCC(N2CCN(C(=O)CC(C)(C)C#N)CC2)CC1 ZINC000353820162 528194345 /nfs/dbraw/zinc/19/43/45/528194345.db2.gz YEWIHCAKZRMMGP-UHFFFAOYSA-N 0 3 291.439 2.649 20 30 CFEDHN CCN(CCC1CC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000355037081 528428762 /nfs/dbraw/zinc/42/87/62/528428762.db2.gz KNPYMFPKCPKNPG-CJNGLKHVSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)[C@@H]1OCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000175064326 528822715 /nfs/dbraw/zinc/82/27/15/528822715.db2.gz LOQSDGBILWFVEL-DOMZBBRYSA-N 0 3 262.353 2.692 20 30 CFEDHN CCOC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000427873648 528979024 /nfs/dbraw/zinc/97/90/24/528979024.db2.gz GSYIVUTTXYKQLR-QWRGUYRKSA-N 0 3 250.317 2.773 20 30 CFEDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC000329990863 529091934 /nfs/dbraw/zinc/09/19/34/529091934.db2.gz JJXSXBOBANMYSV-AWEZNQCLSA-N 0 3 286.379 2.546 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000414328579 529199037 /nfs/dbraw/zinc/19/90/37/529199037.db2.gz AQEXGBFSRFVOJU-SWLSCSKDSA-N 0 3 273.380 2.512 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330170389 529280782 /nfs/dbraw/zinc/28/07/82/529280782.db2.gz DPVJANCXHMNBHD-RDBSUJKOSA-N 0 3 290.411 2.670 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCn2ccnc2C1 ZINC000330170389 529280784 /nfs/dbraw/zinc/28/07/84/529280784.db2.gz DPVJANCXHMNBHD-RDBSUJKOSA-N 0 3 290.411 2.670 20 30 CFEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000331939376 529299320 /nfs/dbraw/zinc/29/93/20/529299320.db2.gz IGUVBKXIYQDNLL-ZMSDIMECSA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000268707921 535237357 /nfs/dbraw/zinc/23/73/57/535237357.db2.gz STBQJGWLYOYQCF-JKSUJKDBSA-N 0 3 290.432 2.665 20 30 CFEDHN CC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000447527077 535804505 /nfs/dbraw/zinc/80/45/05/535804505.db2.gz DWQRQTJELHDTEU-VXGBXAGGSA-N 0 3 272.270 2.522 20 30 CFEDHN CCn1cccc(CN[C@H](C)c2cccc(C#N)c2)c1=O ZINC000432505639 536098166 /nfs/dbraw/zinc/09/81/66/536098166.db2.gz ZZACMZYYXXAHNY-CYBMUJFWSA-N 0 3 281.359 2.591 20 30 CFEDHN COc1cc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)ccc1C#N ZINC000443064178 536767979 /nfs/dbraw/zinc/76/79/79/536767979.db2.gz FMCZVRKWKQTCRW-XEZPLFJOSA-N 0 3 288.391 2.548 20 30 CFEDHN COc1cccc2c1C[C@H](NCc1ccc(C#N)s1)C2 ZINC000459711770 536956294 /nfs/dbraw/zinc/95/62/94/536956294.db2.gz VUTPFHYVEPNMGL-GFCCVEGCSA-N 0 3 284.384 2.885 20 30 CFEDHN COCC#CCN1CCC[C@@H](c2ccccc2)CC1 ZINC000753862549 574052281 /nfs/dbraw/zinc/05/22/81/574052281.db2.gz LYAZQLBCFNGOSY-QGZVFWFLSA-N 0 3 257.377 2.906 20 30 CFEDHN CC(C)CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccn1 ZINC000753934827 574056076 /nfs/dbraw/zinc/05/60/76/574056076.db2.gz KHURXANRGLJDHU-GJZGRUSLSA-N 0 3 299.422 2.692 20 30 CFEDHN CC[N@H+](CCCCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538487 574058524 /nfs/dbraw/zinc/05/85/24/574058524.db2.gz XITLHPMTHDHPSA-CYBMUJFWSA-N 0 3 298.394 2.943 20 30 CFEDHN CC[N@@H+](CCCCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538487 574058525 /nfs/dbraw/zinc/05/85/25/574058525.db2.gz XITLHPMTHDHPSA-CYBMUJFWSA-N 0 3 298.394 2.943 20 30 CFEDHN CC[N@H+](CCCCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736538487 574058527 /nfs/dbraw/zinc/05/85/27/574058527.db2.gz XITLHPMTHDHPSA-CYBMUJFWSA-N 0 3 298.394 2.943 20 30 CFEDHN CC[N@@H+](CCCCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736538487 574058528 /nfs/dbraw/zinc/05/85/28/574058528.db2.gz XITLHPMTHDHPSA-CYBMUJFWSA-N 0 3 298.394 2.943 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCN(C2CC2)C1 ZINC000754008496 574063142 /nfs/dbraw/zinc/06/31/42/574063142.db2.gz VRTAYDOBULGJRB-AWEZNQCLSA-N 0 3 283.375 2.657 20 30 CFEDHN CCN1CCC(CNc2cc(C#N)ccc2C(C)=O)CC1 ZINC000754010969 574063749 /nfs/dbraw/zinc/06/37/49/574063749.db2.gz BJBYMKCRLYBWEC-UHFFFAOYSA-N 0 3 285.391 2.905 20 30 CFEDHN CC(C)c1ccc(C(C)(C)NCC(=O)NCCC#N)cc1 ZINC000730933749 574104691 /nfs/dbraw/zinc/10/46/91/574104691.db2.gz OLJLALCOUMLHBZ-UHFFFAOYSA-N 0 3 287.407 2.665 20 30 CFEDHN Cc1nn(C)c2nc(Cl)c(CNCCCCC#N)cc12 ZINC000728776286 574108209 /nfs/dbraw/zinc/10/82/09/574108209.db2.gz OOCBAMSOTCSSTA-UHFFFAOYSA-N 0 3 291.786 2.714 20 30 CFEDHN C[Si](C)(C)CN1CCN(c2ccccc2C#N)CC1 ZINC000731212766 574113497 /nfs/dbraw/zinc/11/34/97/574113497.db2.gz SQTBJJADUPEYPY-UHFFFAOYSA-N 0 3 273.456 2.558 20 30 CFEDHN C[C@H](CC#N)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000731485120 574121791 /nfs/dbraw/zinc/12/17/91/574121791.db2.gz YILFOGBMLZMRNJ-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000742180011 574145698 /nfs/dbraw/zinc/14/56/98/574145698.db2.gz MWPUOHQHMSWAQE-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN N#CC(C(=O)C=C1CCCC1)c1nnc2n1CCCCC2 ZINC000746416228 574148425 /nfs/dbraw/zinc/14/84/25/574148425.db2.gz LMODBEWDAGDXCH-CYBMUJFWSA-N 0 3 284.363 2.681 20 30 CFEDHN CN(CC(F)F)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000746482151 574150982 /nfs/dbraw/zinc/15/09/82/574150982.db2.gz ORJSUTVAJJVVQH-UHFFFAOYSA-N 0 3 293.361 2.720 20 30 CFEDHN Fc1cccc(Cl)c1CCC=Nn1cnnc1 ZINC000755464492 574163765 /nfs/dbraw/zinc/16/37/65/574163765.db2.gz VIVCGUDXFCGIHF-UHFFFAOYSA-N 0 3 252.680 2.537 20 30 CFEDHN Cc1nc[nH]c1C=NNc1ccc(C(F)(F)F)cn1 ZINC000755487458 574165425 /nfs/dbraw/zinc/16/54/25/574165425.db2.gz FZTXLDHMBMAQHZ-UHFFFAOYSA-N 0 3 269.230 2.578 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ncnc2sccc21 ZINC000755887708 574194429 /nfs/dbraw/zinc/19/44/29/574194429.db2.gz VFRYTAIDJMKROF-SECBINFHSA-N 0 3 287.392 2.573 20 30 CFEDHN CN(C)CCN(CCc1ccccc1)c1cccc(C#N)n1 ZINC000755907850 574196562 /nfs/dbraw/zinc/19/65/62/574196562.db2.gz JSVIWBKNQWQNPW-UHFFFAOYSA-N 0 3 294.402 2.564 20 30 CFEDHN C=C(C)CNC(=S)N(CCN(C)C)Cc1ccccc1 ZINC000747732436 574209099 /nfs/dbraw/zinc/20/90/99/574209099.db2.gz GCGOZSOYHLCEOL-UHFFFAOYSA-N 0 3 291.464 2.501 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2ccc3ccccc3n2)CCCO1 ZINC000756223920 574217685 /nfs/dbraw/zinc/21/76/85/574217685.db2.gz HURQVOCCWOKVCV-CXAGYDPISA-N 0 3 280.327 2.980 20 30 CFEDHN N#Cc1csc(CNCCN2CCc3ccccc32)c1 ZINC000748099489 574229331 /nfs/dbraw/zinc/22/93/31/574229331.db2.gz RBPKPKMJOSSQSM-UHFFFAOYSA-N 0 3 283.400 2.772 20 30 CFEDHN C=CCN1CCC(/N=C/c2ccc(OCC)cc2O)CC1 ZINC000729936291 574238921 /nfs/dbraw/zinc/23/89/21/574238921.db2.gz OEFXIVZFGFWDMR-QGOAFFKASA-N 0 3 288.391 2.860 20 30 CFEDHN C#CCN(CCn1cc(C)cn1)[C@H]1CCc2ccccc21 ZINC000730084430 574251620 /nfs/dbraw/zinc/25/16/20/574251620.db2.gz FVTGVWMTOXVBTF-SFHVURJKSA-N 0 3 279.387 2.814 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000733887274 574262589 /nfs/dbraw/zinc/26/25/89/574262589.db2.gz VJWFLSJMFDFRIT-AWEZNQCLSA-N 0 3 285.391 2.795 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756786043 574262744 /nfs/dbraw/zinc/26/27/44/574262744.db2.gz IGWXFBHLPNWZQS-MDZLAQPJSA-N 0 3 279.355 2.854 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756786910 574262857 /nfs/dbraw/zinc/26/28/57/574262857.db2.gz MHXITCPVBOVVDC-ZIAGYGMSSA-N 0 3 263.381 2.844 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756786039 574262890 /nfs/dbraw/zinc/26/28/90/574262890.db2.gz IGWXFBHLPNWZQS-GMXVVIOVSA-N 0 3 279.355 2.854 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC000740735448 574264816 /nfs/dbraw/zinc/26/48/16/574264816.db2.gz FZUHPFGMBYTOPI-UHFFFAOYSA-N 0 3 290.451 2.951 20 30 CFEDHN CCCCCCCN(C)CC(=O)NCc1ccco1 ZINC000740874024 574271781 /nfs/dbraw/zinc/27/17/81/574271781.db2.gz URSVHZPCJKCXEN-UHFFFAOYSA-N 0 3 266.385 2.798 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCC1N=Nc1ncccn1 ZINC000734365809 574283930 /nfs/dbraw/zinc/28/39/30/574283930.db2.gz UCWFNNHJABQBAT-AWEZNQCLSA-N 0 3 295.390 2.787 20 30 CFEDHN C=CCOC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000749284468 574288060 /nfs/dbraw/zinc/28/80/60/574288060.db2.gz STRVBTDSGZVGJO-UHFFFAOYSA-N 0 3 288.391 2.560 20 30 CFEDHN C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CCN1C ZINC000741463144 574291479 /nfs/dbraw/zinc/29/14/79/574291479.db2.gz AELAXWQCMQVZNB-LLVKDONJSA-N 0 3 269.352 2.512 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000749514597 574298793 /nfs/dbraw/zinc/29/87/93/574298793.db2.gz ORJHPKBBIGJNSD-GOSISDBHSA-N 0 3 295.386 2.817 20 30 CFEDHN COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749843742 574311927 /nfs/dbraw/zinc/31/19/27/574311927.db2.gz GCERWLZWQCKXQG-PDNFYRSKSA-N 0 3 276.380 2.693 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000735207230 574316490 /nfs/dbraw/zinc/31/64/90/574316490.db2.gz FVJAAMHZDFNSRF-UQYHUFHVSA-N 0 3 286.331 2.699 20 30 CFEDHN C#CCNC(=O)CN(Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC000750063367 574322622 /nfs/dbraw/zinc/32/26/22/574322622.db2.gz UWRKSIOVASUDBG-QGZVFWFLSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCC[N@@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735412442 574322729 /nfs/dbraw/zinc/32/27/29/574322729.db2.gz AVRXUVKBFZWFQM-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCC[N@H+](CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735412442 574322732 /nfs/dbraw/zinc/32/27/32/574322732.db2.gz AVRXUVKBFZWFQM-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCC[N@@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735412442 574322734 /nfs/dbraw/zinc/32/27/34/574322734.db2.gz AVRXUVKBFZWFQM-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCC[N@H+](CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735412442 574322737 /nfs/dbraw/zinc/32/27/37/574322737.db2.gz AVRXUVKBFZWFQM-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C#CCCOc1ccc(CNCCOC2CCC2)cc1 ZINC000742385595 574326506 /nfs/dbraw/zinc/32/65/06/574326506.db2.gz KJPWWVQAHZTBJL-UHFFFAOYSA-N 0 3 273.376 2.747 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCCCOC ZINC000735491963 574327138 /nfs/dbraw/zinc/32/71/38/574327138.db2.gz MHEJGQNCXYAYLY-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN C#CCN(CC1(C)COC1)[C@@H]1CCc2ccccc21 ZINC000735919531 574343460 /nfs/dbraw/zinc/34/34/60/574343460.db2.gz FEMCWZRPAVOBDN-MRXNPFEDSA-N 0 3 255.361 2.646 20 30 CFEDHN C=CCc1cc(CN[C@@H](C)COC)cc(OC)c1OC ZINC000743472414 574366039 /nfs/dbraw/zinc/36/60/39/574366039.db2.gz FRQQQORYXTUFTC-LBPRGKRZSA-N 0 3 279.380 2.557 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744021728 574375805 /nfs/dbraw/zinc/37/58/05/574375805.db2.gz DHYZEKVCWWYUPG-OLZOCXBDSA-N 0 3 290.363 2.788 20 30 CFEDHN CCC#C[C@@H](C)N(C)CCOc1ccccc1OC ZINC000752856520 574395733 /nfs/dbraw/zinc/39/57/33/574395733.db2.gz QSAMBGVCEKAISK-CQSZACIVSA-N 0 3 261.365 2.808 20 30 CFEDHN C#C[C@@H](CC)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000753243226 574400605 /nfs/dbraw/zinc/40/06/05/574400605.db2.gz MZFDLSYGXWDPOX-DLBZAZTESA-N 0 3 299.418 2.535 20 30 CFEDHN C#CCOCCN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000753769772 574410041 /nfs/dbraw/zinc/41/00/41/574410041.db2.gz QRULUESZQHOLDG-AWEZNQCLSA-N 0 3 257.377 2.866 20 30 CFEDHN C=C1CCC(CN[C@H](C(N)=O)c2ccccc2)CC1 ZINC000901572951 620866970 /nfs/dbraw/zinc/86/69/70/620866970.db2.gz OXADSIKWXBLAQL-HNNXBMFYSA-N 0 3 258.365 2.549 20 30 CFEDHN COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC000900437582 620677108 /nfs/dbraw/zinc/67/71/08/620677108.db2.gz CPDWEFIAEUFCAZ-HIFRSBDPSA-N 0 3 299.374 2.522 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819733969 606996254 /nfs/dbraw/zinc/99/62/54/606996254.db2.gz GHIOZZDYZCLLLA-CQSZACIVSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819733969 606996255 /nfs/dbraw/zinc/99/62/55/606996255.db2.gz GHIOZZDYZCLLLA-CQSZACIVSA-N 0 3 271.368 2.701 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(CCCOC)C1CCN(C)CC1 ZINC000936049400 649980370 /nfs/dbraw/zinc/98/03/70/649980370.db2.gz OAJKIKWQDCXUNT-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC000969477397 612960286 /nfs/dbraw/zinc/96/02/86/612960286.db2.gz RUHQCVHHFXCFHP-OAHLLOKOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970944234 612995544 /nfs/dbraw/zinc/99/55/44/612995544.db2.gz GFKUHRVRCGBLQQ-CQSZACIVSA-N 0 3 296.414 2.637 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000969706044 612996525 /nfs/dbraw/zinc/99/65/25/612996525.db2.gz JEIOSUNGFATSSC-OFQRWUPVSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC000970351722 612997454 /nfs/dbraw/zinc/99/74/54/612997454.db2.gz NNUMGOVDELEGES-HNNXBMFYSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000982071851 613003806 /nfs/dbraw/zinc/00/38/06/613003806.db2.gz LATZKFZTAOUHSS-INIZCTEOSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965626498 613013665 /nfs/dbraw/zinc/01/36/65/613013665.db2.gz QHQOIWRYVDDXIG-WBVHZDCISA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965626494 613015187 /nfs/dbraw/zinc/01/51/87/613015187.db2.gz QHQOIWRYVDDXIG-NVXWUHKLSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966005510 613016251 /nfs/dbraw/zinc/01/62/51/613016251.db2.gz VFGPDQBYOMZSFR-IUODEOHRSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566384 613024457 /nfs/dbraw/zinc/02/44/57/613024457.db2.gz RURLXQJRKMXMMM-LUKYLMHMSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610971 613024766 /nfs/dbraw/zinc/02/47/66/613024766.db2.gz UBSZTFBOOIPIGW-MAUKXSAKSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000975009163 613036750 /nfs/dbraw/zinc/03/67/50/613036750.db2.gz HALQTZZGCCTCFZ-INIZCTEOSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000948693340 613161857 /nfs/dbraw/zinc/16/18/57/613161857.db2.gz JZKKEAMRJVLIBR-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2(C3CC3)CCC2)CC1 ZINC000948652803 613177893 /nfs/dbraw/zinc/17/78/93/613177893.db2.gz ZKTCOGYGEMEWMO-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000948541328 613178010 /nfs/dbraw/zinc/17/80/10/613178010.db2.gz DQOSUQQYPQIRSZ-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](C)C1 ZINC000944227983 613229310 /nfs/dbraw/zinc/22/93/10/613229310.db2.gz QWULMPJEULVXEK-QBPKDAKJSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000947998570 613235071 /nfs/dbraw/zinc/23/50/71/613235071.db2.gz MJIJECCLKASBMT-DOTOQJQBSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc3occc3c2)C[C@H]1C ZINC000947334632 613236453 /nfs/dbraw/zinc/23/64/53/613236453.db2.gz PEJSHGCCYFNJMF-CZUORRHYSA-N 0 3 296.370 2.649 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2CCC)[C@@H](C)C1 ZINC000942431249 613238109 /nfs/dbraw/zinc/23/81/09/613238109.db2.gz LXDHLQHGLOYEFF-MAUKXSAKSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCCCCC2)C[C@@H]1C ZINC000947130745 613257994 /nfs/dbraw/zinc/25/79/94/613257994.db2.gz LRVULVGBYHIVKV-HOCLYGCPSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@@H]1C ZINC000947951812 613262661 /nfs/dbraw/zinc/26/26/61/613262661.db2.gz DPWDFUHSMOTNNJ-QAETUUGQSA-N 0 3 290.451 2.805 20 30 CFEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC000968464827 613269622 /nfs/dbraw/zinc/26/96/22/613269622.db2.gz MKAXBTKQCUIKOA-QWHCGFSZSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970385037 613298376 /nfs/dbraw/zinc/29/83/76/613298376.db2.gz SVMPJIMPGAEDPQ-ZIAGYGMSSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969697243 613299196 /nfs/dbraw/zinc/29/91/96/613299196.db2.gz RSPSBLOLNITEQY-PNBKFKSVSA-N 0 3 288.435 2.601 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC000970521710 613300020 /nfs/dbraw/zinc/30/00/20/613300020.db2.gz LSXQJSNATSJSCA-CQSZACIVSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(F)ccc2C)C1 ZINC000970235898 613300121 /nfs/dbraw/zinc/30/01/21/613300121.db2.gz XRDNXEDWQLAPGQ-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000970337447 613303234 /nfs/dbraw/zinc/30/32/34/613303234.db2.gz AHGVINDBOAMKCO-LBPRGKRZSA-N 0 3 287.407 2.518 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC000970132077 613303660 /nfs/dbraw/zinc/30/36/60/613303660.db2.gz VJGICMRUOXCEGO-AWEZNQCLSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccoc2CCC)C1 ZINC000970742652 613303668 /nfs/dbraw/zinc/30/36/68/613303668.db2.gz YZWPXBQHGFQUJR-ZDUSSCGKSA-N 0 3 290.407 2.858 20 30 CFEDHN C=C(C)CN1CCCC2(CN(C(=O)c3occc3C)C2)C1 ZINC000981622972 613306176 /nfs/dbraw/zinc/30/61/76/613306176.db2.gz RRHCSRAGSOFESS-UHFFFAOYSA-N 0 3 288.391 2.702 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000980796545 613307870 /nfs/dbraw/zinc/30/78/70/613307870.db2.gz ZLJUWZPJEUHFIQ-UHFFFAOYSA-N 0 3 276.424 2.987 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000981643833 613308785 /nfs/dbraw/zinc/30/87/85/613308785.db2.gz BIGSHSTZNZUFBP-HOTGVXAUSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967499863 613323824 /nfs/dbraw/zinc/32/38/24/613323824.db2.gz RKDYTNIHGSECSR-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccn2CC)C1 ZINC000968650825 613326231 /nfs/dbraw/zinc/32/62/31/613326231.db2.gz ACNVVLIQBILNLY-HUUCEWRRSA-N 0 3 289.423 2.524 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966944606 613333363 /nfs/dbraw/zinc/33/33/63/613333363.db2.gz PCCKXBOEEJNJKA-UERKLNTKSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967461728 613333541 /nfs/dbraw/zinc/33/35/41/613333541.db2.gz DLAOMSRWEMCVLQ-GOEBONIOSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274145 613334093 /nfs/dbraw/zinc/33/40/93/613334093.db2.gz KMBQIIXEJNTKLW-WCQYABFASA-N 0 3 295.814 2.684 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000975102390 613337717 /nfs/dbraw/zinc/33/77/17/613337717.db2.gz JQROACAFOZQRHW-UONOGXRCSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974951173 613341451 /nfs/dbraw/zinc/34/14/51/613341451.db2.gz VJAFDVJEHUPTJP-KBPBESRZSA-N 0 3 278.440 2.825 20 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ZINC001021509174 618035520 /nfs/dbraw/zinc/03/55/20/618035520.db2.gz PIDHWUWMADKMMQ-SJORKVTESA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C)c2)C1 ZINC001021510269 618035912 /nfs/dbraw/zinc/03/59/12/618035912.db2.gz XORGDLNZKMBJFX-ZWKOTPCHSA-N 0 3 296.414 2.555 20 30 CFEDHN C[C@]1(C2CC2)COCCN1CCCC1(C#N)CCOCC1 ZINC000934479209 618050807 /nfs/dbraw/zinc/05/08/07/618050807.db2.gz QALZNBWFLAGEQO-MRXNPFEDSA-N 0 3 292.423 2.588 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021556740 618060361 /nfs/dbraw/zinc/06/03/61/618060361.db2.gz TXISYMDKOKABIZ-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN CCNN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000901278325 620775790 /nfs/dbraw/zinc/77/57/90/620775790.db2.gz PTNXCZPGXBYFCO-UHFFFAOYSA-N 0 3 275.396 2.625 20 30 CFEDHN CCNN=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000901282900 620776167 /nfs/dbraw/zinc/77/61/67/620776167.db2.gz SJSBJCITYBFLAB-INIZCTEOSA-N 0 3 257.381 2.951 20 30 CFEDHN C=CCCCN(CC)CC(=O)Nc1ccnn1CCC ZINC000934646330 618102041 /nfs/dbraw/zinc/10/20/41/618102041.db2.gz OIDQZWPEQQVWCR-UHFFFAOYSA-N 0 3 278.400 2.520 20 30 CFEDHN N#CCOc1ccc(CNCc2ccsc2)cc1 ZINC000063152416 618146199 /nfs/dbraw/zinc/14/61/99/618146199.db2.gz WYOMDYPBKREKFW-UHFFFAOYSA-N 0 3 258.346 2.940 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001023299256 618179163 /nfs/dbraw/zinc/17/91/63/618179163.db2.gz AKSLDOXGQMDEJH-AWEZNQCLSA-N 0 3 276.380 2.524 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)CCC1 ZINC000933300173 618194399 /nfs/dbraw/zinc/19/43/99/618194399.db2.gz SMGYZCMPOQOHAR-CYBMUJFWSA-N 0 3 298.386 2.752 20 30 CFEDHN CC#CCCN1CCN(CCC#CC)[C@@H]2CCCC[C@H]21 ZINC000581536768 618194434 /nfs/dbraw/zinc/19/44/34/618194434.db2.gz BEBDWPLNSCQWEG-QZTJIDSGSA-N 0 3 272.436 2.742 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1cnnn1-c1ccccc1 ZINC000926548865 618195062 /nfs/dbraw/zinc/19/50/62/618195062.db2.gz CBWKYOVLSSJEHB-ZDUSSCGKSA-N 0 3 256.353 2.884 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)N(C)c2ccccc2)CCC1 ZINC000933304577 618196285 /nfs/dbraw/zinc/19/62/85/618196285.db2.gz OLJNTCDGNCIGKF-CQSZACIVSA-N 0 3 270.376 2.574 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NN[C@@H]2CCCC[C@H]2O)cc1 ZINC000901334408 620787569 /nfs/dbraw/zinc/78/75/69/620787569.db2.gz LZUYYIBJQQFTQW-FQCIQBJXSA-N 0 3 287.407 2.645 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001023648331 618211278 /nfs/dbraw/zinc/21/12/78/618211278.db2.gz WKRAKAOWDPOCPM-AWEZNQCLSA-N 0 3 290.432 2.522 20 30 CFEDHN C=CCN1CCC[C@H](CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001023698040 618215562 /nfs/dbraw/zinc/21/55/62/618215562.db2.gz NNUNPWRGPZDZRZ-CQSZACIVSA-N 0 3 290.407 2.778 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001023768055 618224149 /nfs/dbraw/zinc/22/41/49/618224149.db2.gz LPWFKIGSGMWMJU-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN CCCC(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001023805956 618227862 /nfs/dbraw/zinc/22/78/62/618227862.db2.gz DAEKGYYGRWLBBC-OAHLLOKOSA-N 0 3 299.418 2.687 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@](C)(OC)C1 ZINC000793218196 618250536 /nfs/dbraw/zinc/25/05/36/618250536.db2.gz PXCQPDAJJALMGP-KRWDZBQOSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CCN(CCOC)Cc1ccc2c(c1)CCCO2 ZINC000893991826 618261094 /nfs/dbraw/zinc/26/10/94/618261094.db2.gz GDDHGOLXPLQFLD-UHFFFAOYSA-N 0 3 261.365 2.646 20 30 CFEDHN Fc1cc(F)c(N=NC2CCN3CCC[C@@H]23)c(F)c1 ZINC000901321226 620791057 /nfs/dbraw/zinc/79/10/57/620791057.db2.gz RHONJENEZVUDNV-LBPRGKRZSA-N 0 3 269.270 2.740 20 30 CFEDHN C[C@@H](NCCO[C@@H](C)C#N)c1ccccc1Cl ZINC000310197520 618270545 /nfs/dbraw/zinc/27/05/45/618270545.db2.gz ZKBHVABGYJKNDX-WDEREUQCSA-N 0 3 252.745 2.919 20 30 CFEDHN C#CCCCCCCN(C)Cc1ccc(C(=O)OC)cn1 ZINC000930809232 618279901 /nfs/dbraw/zinc/27/99/01/618279901.db2.gz KXLFSFMGPLLOTE-UHFFFAOYSA-N 0 3 288.391 2.884 20 30 CFEDHN CC(C)Cc1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000930818226 618283056 /nfs/dbraw/zinc/28/30/56/618283056.db2.gz DNNMSBUUWLTRHB-QGZVFWFLSA-N 0 3 272.392 2.736 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001024327341 618295833 /nfs/dbraw/zinc/29/58/33/618295833.db2.gz XOUFKFNNPJZXSV-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001024336733 618296014 /nfs/dbraw/zinc/29/60/14/618296014.db2.gz FYTCPMWLWURNPR-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001024336733 618296016 /nfs/dbraw/zinc/29/60/16/618296016.db2.gz FYTCPMWLWURNPR-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024372844 618302866 /nfs/dbraw/zinc/30/28/66/618302866.db2.gz BVBRVDGVKRVROB-MWDXBVQZSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCNC(=O)CN[C@@H](c1ccc(CCC)cc1)C(C)C ZINC000096955905 618305894 /nfs/dbraw/zinc/30/58/94/618305894.db2.gz IPJPGOPOHXKAQI-GOSISDBHSA-N 0 3 286.419 2.675 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnccc1C ZINC001024377119 618306403 /nfs/dbraw/zinc/30/64/03/618306403.db2.gz KRYOFRPTJMARJW-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024391213 618306470 /nfs/dbraw/zinc/30/64/70/618306470.db2.gz QWPOUQSJQSIWLC-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024391964 618308742 /nfs/dbraw/zinc/30/87/42/618308742.db2.gz IVHOVUTYFSLMMH-HNNXBMFYSA-N 0 3 262.397 2.644 20 30 CFEDHN Cc1cc(F)c(C#N)c(N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000892472432 618317819 /nfs/dbraw/zinc/31/78/19/618317819.db2.gz WHGFDAMULUHZHV-ZDUSSCGKSA-N 0 3 273.355 2.679 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC000895116653 618318373 /nfs/dbraw/zinc/31/83/73/618318373.db2.gz ZVQRRENBVMQDQN-IYBDPMFKSA-N 0 3 257.377 2.974 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(N(C)C)n1 ZINC000925626608 618349449 /nfs/dbraw/zinc/34/94/49/618349449.db2.gz PDNOLAKYUFJIEZ-LBPRGKRZSA-N 0 3 260.385 2.566 20 30 CFEDHN Cc1ccc([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCN([O-])C2=O)cc1 ZINC000895161720 618409284 /nfs/dbraw/zinc/40/92/84/618409284.db2.gz TYBQVSODUXEIPH-ARFHVFGLSA-N 0 3 288.391 2.601 20 30 CFEDHN C=CCCCCCCNC(=O)NCCN1CCCCC1 ZINC000804605039 618414268 /nfs/dbraw/zinc/41/42/68/618414268.db2.gz AFJLBQMMPSFVGG-UHFFFAOYSA-N 0 3 281.444 2.908 20 30 CFEDHN C#CC1(O)CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000931144565 618422627 /nfs/dbraw/zinc/42/26/27/618422627.db2.gz WNGYLYVLTCOFCU-UHFFFAOYSA-N 0 3 295.382 2.679 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024642596 618430658 /nfs/dbraw/zinc/43/06/58/618430658.db2.gz XINRQZKBAAFSBL-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN CC(C)(CC#N)CNCc1cccc(Cl)c1N ZINC000877584085 618441500 /nfs/dbraw/zinc/44/15/00/618441500.db2.gz WWFVAOXQPAHIEM-UHFFFAOYSA-N 0 3 251.761 2.952 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895250300 618497116 /nfs/dbraw/zinc/49/71/16/618497116.db2.gz HPTICVNNOQAHIE-ZDUSSCGKSA-N 0 3 291.464 2.998 20 30 CFEDHN N#Cc1ccc(CNCc2ccc3c[nH]nc3c2)cc1 ZINC000727466712 618542490 /nfs/dbraw/zinc/54/24/90/618542490.db2.gz DLSNAVBHTCQHOA-UHFFFAOYSA-N 0 3 262.316 2.724 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(OCCCC)cc2)CC1 ZINC000895380468 618557764 /nfs/dbraw/zinc/55/77/64/618557764.db2.gz RGNHZJQAYVRDFL-UHFFFAOYSA-N 0 3 287.403 2.826 20 30 CFEDHN C#CC1(O)CCN(Cc2cccc(OCC(C)C)c2)CC1 ZINC000895383742 618561077 /nfs/dbraw/zinc/56/10/77/618561077.db2.gz CDSOVQFRVOWTOG-UHFFFAOYSA-N 0 3 287.403 2.682 20 30 CFEDHN CC1(O)CCC(NCC2(C#N)CCCCC2)CC1 ZINC000895402365 618568195 /nfs/dbraw/zinc/56/81/95/618568195.db2.gz DOAPFUPWEBDHOL-UHFFFAOYSA-N 0 3 250.386 2.744 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018022301 618683739 /nfs/dbraw/zinc/68/37/39/618683739.db2.gz GJXNQIUSTULGNJ-YHUYYLMFSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018123389 618685844 /nfs/dbraw/zinc/68/58/44/618685844.db2.gz MHRCTNFURZPVJD-QXSJWSMHSA-N 0 3 276.424 2.530 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001018123386 618685993 /nfs/dbraw/zinc/68/59/93/618685993.db2.gz MHRCTNFURZPVJD-QKPAOTATSA-N 0 3 276.424 2.530 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(C(=O)N(C)C)c1 ZINC000924609756 618767738 /nfs/dbraw/zinc/76/77/38/618767738.db2.gz WNMVFIAETJEPOH-ZDUSSCGKSA-N 0 3 287.407 2.806 20 30 CFEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000926874606 618778627 /nfs/dbraw/zinc/77/86/27/618778627.db2.gz RGJGPQJAMJYHFF-UKRRQHHQSA-N 0 3 257.381 2.932 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCC#Cc2ccccc2)C1 ZINC000893098288 618830779 /nfs/dbraw/zinc/83/07/79/618830779.db2.gz KGPJCOPVMGAIKE-HLIPFELVSA-N 0 3 289.444 2.708 20 30 CFEDHN C[C@@H](NCC#Cc1ccccc1)[C@H](O)Cc1ccccc1 ZINC000893190992 618874465 /nfs/dbraw/zinc/87/44/65/618874465.db2.gz HOQADJLJJHBOPJ-VQIMIIECSA-N 0 3 279.383 2.620 20 30 CFEDHN Cc1ccccc1CCN(C)Cc1cncc(C#N)c1 ZINC000930597732 618882210 /nfs/dbraw/zinc/88/22/10/618882210.db2.gz DUAYMVQUQWGMPD-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN CCCCCCCCc1nnc(NC(=O)[C@H](C)N)s1 ZINC000195179687 618969116 /nfs/dbraw/zinc/96/91/16/618969116.db2.gz KYJAJYHWHMPUAM-JTQLQIEISA-N 0 3 284.429 2.727 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009691464 619013766 /nfs/dbraw/zinc/01/37/66/619013766.db2.gz MYYSDWLHCCOVBW-PQUAAJSLSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000893878085 619233882 /nfs/dbraw/zinc/23/38/82/619233882.db2.gz NWXBGZFJLYQFTO-GJZGRUSLSA-N 0 3 287.407 2.696 20 30 CFEDHN N#CC1CCC(CNCc2nnc(C3CC3)s2)CC1 ZINC000894247240 619281431 /nfs/dbraw/zinc/28/14/31/619281431.db2.gz WBXMVTCUHMKIOB-UHFFFAOYSA-N 0 3 276.409 2.835 20 30 CFEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1csc(C#N)c1 ZINC000894432002 619382827 /nfs/dbraw/zinc/38/28/27/619382827.db2.gz MLOLYIQYLMWWQT-ZDUSSCGKSA-N 0 3 291.420 2.500 20 30 CFEDHN C[C@]1(CCCO)CCCN1Cc1csc(C#N)c1 ZINC000894484202 619398573 /nfs/dbraw/zinc/39/85/73/619398573.db2.gz CHRCAZCFPMVFLW-CQSZACIVSA-N 0 3 264.394 2.747 20 30 CFEDHN C(#Cc1ccccc1)CN1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000894633777 619433775 /nfs/dbraw/zinc/43/37/75/619433775.db2.gz HLPSIFPDLWFRRK-SFHVURJKSA-N 0 3 281.399 2.929 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H]2C)CCCCC1 ZINC000928433107 619463200 /nfs/dbraw/zinc/46/32/00/619463200.db2.gz LABQEPZSSLWGCB-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCOc1ccccc1CNCCO[C@@H]1CCCCO1 ZINC000894798923 619468966 /nfs/dbraw/zinc/46/89/66/619468966.db2.gz HMXJRZKXTKVBLA-QGZVFWFLSA-N 0 3 291.391 2.884 20 30 CFEDHN C[C@H](CCC#N)N1CCN(CCCOC(C)(C)C)CC1 ZINC000880413269 619483700 /nfs/dbraw/zinc/48/37/00/619483700.db2.gz IQWOSVYPAWDAEO-OAHLLOKOSA-N 0 3 281.444 2.501 20 30 CFEDHN C#Cc1ccc(CN2CC(CC3CCOCC3)C2)cc1 ZINC000895616534 619568236 /nfs/dbraw/zinc/56/82/36/619568236.db2.gz VZYJSNAZOHEYDX-UHFFFAOYSA-N 0 3 269.388 2.916 20 30 CFEDHN CC(C)(NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000895658414 619577163 /nfs/dbraw/zinc/57/71/63/619577163.db2.gz JPXDZVKKFSMCNT-HNNXBMFYSA-N 0 3 270.332 2.753 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccccc2OCC=C)CC1 ZINC000895674886 619579831 /nfs/dbraw/zinc/57/98/31/619579831.db2.gz IKMHUIDOSVHJCG-UHFFFAOYSA-N 0 3 285.387 2.602 20 30 CFEDHN C#CCC1(O)CCN(Cc2cccc(OCC=C)c2)CC1 ZINC000895675676 619579876 /nfs/dbraw/zinc/57/98/76/619579876.db2.gz UHDBWBYZJKBDIR-UHFFFAOYSA-N 0 3 285.387 2.602 20 30 CFEDHN C[C@@H]1[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000895734895 619596616 /nfs/dbraw/zinc/59/66/16/619596616.db2.gz BEGLBTJBNHUUEC-YPMHNXCESA-N 0 3 272.396 2.755 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000895931630 619638182 /nfs/dbraw/zinc/63/81/82/619638182.db2.gz QHEQJYHCOQFVQL-IXDOHACOSA-N 0 3 255.361 2.585 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000896057196 619662765 /nfs/dbraw/zinc/66/27/65/619662765.db2.gz DKJLJOPIMHXFHB-AWEZNQCLSA-N 0 3 287.403 2.913 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000896057946 619663052 /nfs/dbraw/zinc/66/30/52/619663052.db2.gz KMVBTWTZRYWGTJ-UHFFFAOYSA-N 0 3 287.403 2.915 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000896288009 619710857 /nfs/dbraw/zinc/71/08/57/619710857.db2.gz ZHRDVSYAJPCCEY-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(Cl)cn1 ZINC000883391524 619715234 /nfs/dbraw/zinc/71/52/34/619715234.db2.gz MUOTWQXVPVTQTL-JQWIXIFHSA-N 0 3 254.761 2.713 20 30 CFEDHN OC[C@H](CCc1ccccc1)NCC#Cc1ccccc1 ZINC000896517683 619754931 /nfs/dbraw/zinc/75/49/31/619754931.db2.gz HTMZCSYHZYZJLT-IBGZPJMESA-N 0 3 279.383 2.621 20 30 CFEDHN C#CCCN1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796572799 619895410 /nfs/dbraw/zinc/89/54/10/619895410.db2.gz SVJNTOKCUMAYJY-JKSUJKDBSA-N 0 3 292.423 2.733 20 30 CFEDHN CC1(C)CCN(CCNc2nc(Cl)c(C#N)s2)C1 ZINC000897249486 619958813 /nfs/dbraw/zinc/95/88/13/619958813.db2.gz WHOOPRMQOBPVMB-UHFFFAOYSA-N 0 3 284.816 2.812 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1c2ccccc2C[C@@H]1O ZINC000925249382 620069043 /nfs/dbraw/zinc/06/90/43/620069043.db2.gz WVHVGLNGJIJRCP-UGFHNGPFSA-N 0 3 258.365 2.563 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2scc(C)c2Cl)C1 ZINC000988874257 620226247 /nfs/dbraw/zinc/22/62/47/620226247.db2.gz CQUPUPJLXROHIT-QWRGUYRKSA-N 0 3 296.823 2.536 20 30 CFEDHN Cc1sccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599497 620255651 /nfs/dbraw/zinc/25/56/51/620255651.db2.gz NIKAGXIZHSTMLM-UHFFFAOYSA-N 0 3 277.389 2.894 20 30 CFEDHN CN(CCC[C@H]1CCO1)Cc1cc(C#N)cs1 ZINC000897624710 620262046 /nfs/dbraw/zinc/26/20/46/620262046.db2.gz VWKXJAFFPDMYNR-LBPRGKRZSA-N 0 3 250.367 2.621 20 30 CFEDHN CN(CCC[C@@H]1CCO1)Cc1cc(C#N)cs1 ZINC000897624709 620262066 /nfs/dbraw/zinc/26/20/66/620262066.db2.gz VWKXJAFFPDMYNR-GFCCVEGCSA-N 0 3 250.367 2.621 20 30 CFEDHN C=C1CCC(C(=O)N2CCCN(C)C[C@H]2CC)CC1 ZINC000897631376 620264552 /nfs/dbraw/zinc/26/45/52/620264552.db2.gz WNVYZKRTCPZPKY-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCCc3ccccc3C2)nn1 ZINC000897710006 620274199 /nfs/dbraw/zinc/27/41/99/620274199.db2.gz VGOOPACNVDMEQQ-KRWDZBQOSA-N 0 3 296.418 2.891 20 30 CFEDHN C=C(CC)CNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897932097 620302146 /nfs/dbraw/zinc/30/21/46/620302146.db2.gz CBOWESUESFMJQH-MRXNPFEDSA-N 0 3 290.407 2.817 20 30 CFEDHN C#Cc1ccc(CN[C@@]23CCC[C@]2(OCC)OCC3)cc1 ZINC000897974912 620307264 /nfs/dbraw/zinc/30/72/64/620307264.db2.gz SVRCIWGMWJRDLW-MSOLQXFVSA-N 0 3 285.387 2.833 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H]2C[C@@H]3CCC[C@H]23)c1 ZINC000897960057 620312655 /nfs/dbraw/zinc/31/26/55/620312655.db2.gz YMKFXMHIRCGHBU-WCFLWFBJSA-N 0 3 261.756 2.885 20 30 CFEDHN C=CCCCN(CC)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000898246330 620356781 /nfs/dbraw/zinc/35/67/81/620356781.db2.gz QFQIKLIPEFTFES-UHFFFAOYSA-N 0 3 263.385 2.505 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC2CCCCCC2)C1 ZINC000989493833 620379137 /nfs/dbraw/zinc/37/91/37/620379137.db2.gz WSLZVMKIARSYAY-ZBFHGGJFSA-N 0 3 276.424 2.559 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925321071 620379666 /nfs/dbraw/zinc/37/96/66/620379666.db2.gz OGTGQPZERFEUIZ-OCCSQVGLSA-N 0 3 293.436 2.538 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)C)c2)C1 ZINC000989644421 620384331 /nfs/dbraw/zinc/38/43/31/620384331.db2.gz WQDIPWCSWSDVLH-RHSMWYFYSA-N 0 3 284.403 2.636 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC000989717426 620388000 /nfs/dbraw/zinc/38/80/00/620388000.db2.gz FLGWWRUQBRLCJP-KBXCAEBGSA-N 0 3 292.382 2.666 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2sccc2C(F)F)C1 ZINC000989734296 620388500 /nfs/dbraw/zinc/38/85/00/620388500.db2.gz SOCZTWDYXCSFQJ-ZJUUUORDSA-N 0 3 298.358 2.512 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCC2CCCCC2)C1 ZINC000989748990 620389385 /nfs/dbraw/zinc/38/93/85/620389385.db2.gz SFTGLMFILDDWNN-HOCLYGCPSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)C)s2)C1 ZINC000989837310 620394228 /nfs/dbraw/zinc/39/42/28/620394228.db2.gz AKYJYZRHKZAMJO-CHWSQXEVSA-N 0 3 290.432 2.697 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989931909 620403414 /nfs/dbraw/zinc/40/34/14/620403414.db2.gz HPLRAXBPNRAZFJ-GDBMZVCRSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000989944839 620404328 /nfs/dbraw/zinc/40/43/28/620404328.db2.gz GSWDMHDNXZKVRB-BFYDXBDKSA-N 0 3 274.408 2.642 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccoc3CC)CCC[C@H]12 ZINC000990458604 620424789 /nfs/dbraw/zinc/42/47/89/620424789.db2.gz ZZVRHWNVCCDOLN-DOTOQJQBSA-N 0 3 288.391 2.755 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990611530 620434794 /nfs/dbraw/zinc/43/47/94/620434794.db2.gz FOWYHKWRCLJDPB-AEFFLSMTSA-N 0 3 286.419 2.623 20 30 CFEDHN C[C@]12CSC[C@H]1CN(Cc1cc(C#N)cs1)C2 ZINC000898421670 620462329 /nfs/dbraw/zinc/46/23/29/620462329.db2.gz DFDXXOLWOPSEMT-YPMHNXCESA-N 0 3 264.419 2.805 20 30 CFEDHN C=CC(C)(C)NCc1cncc(Br)c1 ZINC000898460785 620467274 /nfs/dbraw/zinc/46/72/74/620467274.db2.gz SFSNCOKCXFAOCS-UHFFFAOYSA-N 0 3 255.159 2.898 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC=CCCC2)C(N)=O)cc1 ZINC000901673795 620881967 /nfs/dbraw/zinc/88/19/67/620881967.db2.gz ZVARTESPCDWXHP-WBVHZDCISA-N 0 3 297.402 2.811 20 30 CFEDHN CC1(C)CC[C@H](CCNC[C@H](C#N)CCC#N)OC1 ZINC000901655170 620883793 /nfs/dbraw/zinc/88/37/93/620883793.db2.gz TVBIDWRTZJJHQI-UONOGXRCSA-N 0 3 263.385 2.615 20 30 CFEDHN C[C@@H](C#N)OCCN(C)Cc1cc2ccccc2o1 ZINC000801924338 621141586 /nfs/dbraw/zinc/14/15/86/621141586.db2.gz NHVATVNGCRKPSJ-LBPRGKRZSA-N 0 3 258.321 2.793 20 30 CFEDHN C[C@@H](NCCN(C)c1ccccc1)c1cc(C#N)ccn1 ZINC000902736951 621161899 /nfs/dbraw/zinc/16/18/99/621161899.db2.gz YRHHLIRPIKUJSG-CQSZACIVSA-N 0 3 280.375 2.740 20 30 CFEDHN COC[C@H](Cc1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902830868 621186708 /nfs/dbraw/zinc/18/67/08/621186708.db2.gz SGHULHOJJLYGJN-YOEHRIQHSA-N 0 3 295.386 2.862 20 30 CFEDHN C[C@H](NCCSCC(F)(F)F)c1cc(C#N)ccn1 ZINC000902891945 621200956 /nfs/dbraw/zinc/20/09/56/621200956.db2.gz FEYJBODVDIWVHZ-VIFPVBQESA-N 0 3 289.326 2.899 20 30 CFEDHN CCOC[C@@H](N[C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902969919 621215880 /nfs/dbraw/zinc/21/58/80/621215880.db2.gz ISFUQXPPAXMQDV-SWLSCSKDSA-N 0 3 261.369 2.665 20 30 CFEDHN C#CCN(C(=O)Nc1cccc(C)c1)C1CCN(C)CC1 ZINC000902986298 621217703 /nfs/dbraw/zinc/21/77/03/621217703.db2.gz VVCHIEVACMNAPI-UHFFFAOYSA-N 0 3 285.391 2.556 20 30 CFEDHN C=CCCCCCCCN[C@H](C)c1cn(C)nn1 ZINC000902992227 621219414 /nfs/dbraw/zinc/21/94/14/621219414.db2.gz HZFHPQKTPCUJFD-CYBMUJFWSA-N 0 3 250.390 2.992 20 30 CFEDHN Cc1cccc2c1OC[C@@H](N[C@H](C)c1cc(C#N)ccn1)C2 ZINC000902997556 621224104 /nfs/dbraw/zinc/22/41/04/621224104.db2.gz WONZVGIUPPZPOS-CJNGLKHVSA-N 0 3 293.370 2.916 20 30 CFEDHN C[C@H](NCC1(C#N)CCC1)[C@H]1COc2ccccc2C1 ZINC000903036012 621231012 /nfs/dbraw/zinc/23/10/12/621231012.db2.gz ZDOFBSFNAJJUBO-DZGCQCFKSA-N 0 3 270.376 2.910 20 30 CFEDHN C[C@@H](N[C@@H](CO)CC1CCCCC1)c1cc(C#N)ccn1 ZINC000903022303 621233582 /nfs/dbraw/zinc/23/35/82/621233582.db2.gz HCBIUOXBVLTKPE-CZUORRHYSA-N 0 3 287.407 2.935 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903027714 621234799 /nfs/dbraw/zinc/23/47/99/621234799.db2.gz VZXVCGXILPXTRA-XJKSGUPXSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@H](NC[C@@H]1c2ccccc2CN1C)c1cc(C#N)ccn1 ZINC000903080360 621245259 /nfs/dbraw/zinc/24/52/59/621245259.db2.gz JVOJAUKJUOFZLO-SCLBCKFNSA-N 0 3 292.386 2.791 20 30 CFEDHN C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cc(C#N)ccn1 ZINC000903084799 621246948 /nfs/dbraw/zinc/24/69/48/621246948.db2.gz JVNWNZTZECUYHT-ZGMNHVEMSA-N 0 3 271.364 2.561 20 30 CFEDHN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cc(C#N)ccn1 ZINC000903084797 621247032 /nfs/dbraw/zinc/24/70/32/621247032.db2.gz JVNWNZTZECUYHT-ATVPRXPUSA-N 0 3 271.364 2.561 20 30 CFEDHN CC[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cccc(C#N)c1 ZINC000903073628 621251175 /nfs/dbraw/zinc/25/11/75/621251175.db2.gz RJRRBKOLGPUYPV-DLBZAZTESA-N 0 3 297.402 2.752 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903132070 621259961 /nfs/dbraw/zinc/25/99/61/621259961.db2.gz WYJPZLLYRPLFCR-GFCCVEGCSA-N 0 3 294.351 2.847 20 30 CFEDHN CCN(C(=O)CN[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000903197956 621282384 /nfs/dbraw/zinc/28/23/84/621282384.db2.gz XTIXVIQZIVGXCJ-HUUCEWRRSA-N 0 3 285.391 2.711 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)c1cc(C#N)ccn1 ZINC000903250578 621298973 /nfs/dbraw/zinc/29/89/73/621298973.db2.gz AXMBIZKMOFKSBQ-SGIREYDYSA-N 0 3 271.364 2.561 20 30 CFEDHN C[C@@H](N[C@H]1CCOC12CCCC2)c1cc(C#N)ccn1 ZINC000903387534 621358980 /nfs/dbraw/zinc/35/89/80/621358980.db2.gz HXUSMWUQGBPSEE-DOMZBBRYSA-N 0 3 271.364 2.706 20 30 CFEDHN C=CCC(C)(C)c1noc(-c2ccc3c(n2)CNCC3)n1 ZINC000904724271 621625211 /nfs/dbraw/zinc/62/52/11/621625211.db2.gz KNRMVQRMKUWYOF-UHFFFAOYSA-N 0 3 284.363 2.631 20 30 CFEDHN CCOc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905080184 621690882 /nfs/dbraw/zinc/69/08/82/621690882.db2.gz IUAIAPKSHZDGRX-XNFYSYIQSA-N 0 3 269.304 2.518 20 30 CFEDHN CCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905079692 621690973 /nfs/dbraw/zinc/69/09/73/621690973.db2.gz FEGDDNCSNKZBNH-SEEODLKFSA-N 0 3 253.305 2.681 20 30 CFEDHN CC1/C(=C/c2ccccc2C2CC2)C(=O)c2ncnn21 ZINC000905082397 621691824 /nfs/dbraw/zinc/69/18/24/621691824.db2.gz VYYVYGXWVZLBLP-WULZRQGASA-N 0 3 265.316 2.996 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905084197 621692218 /nfs/dbraw/zinc/69/22/18/621692218.db2.gz HVJSJAOLXLHWNK-OGGBREFQSA-N 0 3 298.302 2.644 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1F ZINC000905084679 621692296 /nfs/dbraw/zinc/69/22/96/621692296.db2.gz KIBOGZFUYNWDBO-ISAHRAOESA-N 0 3 287.294 2.657 20 30 CFEDHN Cc1scc(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905086743 621692573 /nfs/dbraw/zinc/69/25/73/621692573.db2.gz ULPNLIQIAVLSDA-HCNJTKSQSA-N 0 3 259.334 2.797 20 30 CFEDHN C=CC[C@H](NC[C@@](O)(CC)C(F)(F)F)c1ccncc1 ZINC000905122531 621704037 /nfs/dbraw/zinc/70/40/37/621704037.db2.gz ZHSRULJBNRGHNG-STQMWFEESA-N 0 3 288.313 2.992 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCCc2ccccc2C1 ZINC000905656342 621810037 /nfs/dbraw/zinc/81/00/37/621810037.db2.gz MQORITWDSIUJTN-PBHICJAKSA-N 0 3 267.376 2.967 20 30 CFEDHN Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1C#N ZINC000906181227 621946534 /nfs/dbraw/zinc/94/65/34/621946534.db2.gz GNWOPRUOWMZZAU-OAHLLOKOSA-N 0 3 264.332 2.748 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2ccsc2C#N)CC1 ZINC000906450206 621991124 /nfs/dbraw/zinc/99/11/24/621991124.db2.gz IJBYVXKTQFCODP-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc(C)c1C#N ZINC000906941860 622064961 /nfs/dbraw/zinc/06/49/61/622064961.db2.gz PSLUBAOPPORLMO-ZFWWWQNUSA-N 0 3 297.402 2.530 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000924829024 622405755 /nfs/dbraw/zinc/40/57/55/622405755.db2.gz QVQKGCBXLZNRTM-KGLIPLIRSA-N 0 3 287.407 2.609 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@H]12 ZINC000991331717 622522733 /nfs/dbraw/zinc/52/27/33/622522733.db2.gz NXAKMIDKJXTOMV-UKPHBRMFSA-N 0 3 276.424 2.722 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)Nc1ccc(N)nc1 ZINC000911751713 622547333 /nfs/dbraw/zinc/54/73/33/622547333.db2.gz CCWJOQZRLFQRLK-ZDUSSCGKSA-N 0 3 278.400 2.680 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(Cl)cc1 ZINC000911900831 622566736 /nfs/dbraw/zinc/56/67/36/622566736.db2.gz ZMACOFSUDWVYBI-ZDUSSCGKSA-N 0 3 266.772 2.640 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCCc2ccccc21 ZINC000911891557 622571062 /nfs/dbraw/zinc/57/10/62/622571062.db2.gz KNRPKNRNFIVCKO-AWEZNQCLSA-N 0 3 258.365 2.649 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(C(C)=O)c1 ZINC000911930535 622589810 /nfs/dbraw/zinc/58/98/10/622589810.db2.gz XMRALRWWJMYNLV-AWEZNQCLSA-N 0 3 260.337 2.511 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1F ZINC000911929725 622590207 /nfs/dbraw/zinc/59/02/07/622590207.db2.gz NMFODALDIJRPPR-LLVKDONJSA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)ccc1OC ZINC000911940635 622594286 /nfs/dbraw/zinc/59/42/86/622594286.db2.gz SHOLCINGZTVBHD-GFCCVEGCSA-N 0 3 262.353 2.626 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(CC)cc1 ZINC000912001931 622605484 /nfs/dbraw/zinc/60/54/84/622605484.db2.gz VQDQODRATPQULU-MRXNPFEDSA-N 0 3 274.408 2.891 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccccc1OC ZINC000912015798 622611279 /nfs/dbraw/zinc/61/12/79/622611279.db2.gz CCNAEZMSDSMHFT-OCCSQVGLSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCSc1ccccc1 ZINC000912096416 622623975 /nfs/dbraw/zinc/62/39/75/622623975.db2.gz AXIJEQFXFWDKGY-AWEZNQCLSA-N 0 3 278.421 2.579 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000912230873 622666301 /nfs/dbraw/zinc/66/63/01/622666301.db2.gz KADKZXHOVMFYLN-CZUORRHYSA-N 0 3 290.407 2.898 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000912254683 622673263 /nfs/dbraw/zinc/67/32/63/622673263.db2.gz WBRZPVZZLVWUEC-WFASDCNBSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](CC)N(C)C ZINC000912279890 622673748 /nfs/dbraw/zinc/67/37/48/622673748.db2.gz CDEWSYCJVRNHDM-IHRRRGAJSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(F)c1C ZINC000912284896 622675180 /nfs/dbraw/zinc/67/51/80/622675180.db2.gz KWWYYTBQJMFRSP-LBPRGKRZSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(COCC)cc1 ZINC000912351298 622692685 /nfs/dbraw/zinc/69/26/85/622692685.db2.gz OQMROIVJDBVQIY-INIZCTEOSA-N 0 3 290.407 2.523 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)NCC(F)(F)F ZINC000912452115 622718916 /nfs/dbraw/zinc/71/89/16/622718916.db2.gz IEPNEWSOYNFJTK-JTQLQIEISA-N 0 3 268.323 2.743 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000912485984 622728697 /nfs/dbraw/zinc/72/86/97/622728697.db2.gz AOVMKKHSSLLDIO-BXUZGUMPSA-N 0 3 294.370 2.695 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC)c1cccc(OC)c1 ZINC000912498998 622729898 /nfs/dbraw/zinc/72/98/98/622729898.db2.gz RWIHJGLCIFSROQ-HNNXBMFYSA-N 0 3 276.380 2.732 20 30 CFEDHN C=CCCONC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000912628372 622752659 /nfs/dbraw/zinc/75/26/59/622752659.db2.gz ZOCHNGWRJZWVFO-UHFFFAOYSA-N 0 3 273.336 2.528 20 30 CFEDHN CCN(C(=O)c1ccc(NC2=NCCC2)cc1)[C@H](C)C#N ZINC000912687535 622759923 /nfs/dbraw/zinc/75/99/23/622759923.db2.gz RAQAWUMGIGCDMD-GFCCVEGCSA-N 0 3 284.363 2.665 20 30 CFEDHN C#CC[C@H](OC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC000821626567 622956866 /nfs/dbraw/zinc/95/68/66/622956866.db2.gz RVXRBTXEHOCJSJ-INIZCTEOSA-N 0 3 271.360 2.707 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CC1CCCCC1 ZINC000876883019 622986359 /nfs/dbraw/zinc/98/63/59/622986359.db2.gz YBCLWTKITULLNC-YPMHNXCESA-N 0 3 272.820 2.931 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](O)CC(C)C ZINC000224263050 623000195 /nfs/dbraw/zinc/00/01/95/623000195.db2.gz ATTSZFHDPNIAGN-OAHLLOKOSA-N 0 3 263.381 2.748 20 30 CFEDHN C#CCOc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000076763545 623139991 /nfs/dbraw/zinc/13/99/91/623139991.db2.gz AECFSISXEDWGJC-AWEZNQCLSA-N 0 3 296.351 2.954 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(CC)c3)CCC[C@@H]12 ZINC000991858483 623186314 /nfs/dbraw/zinc/18/63/14/623186314.db2.gz GODCWUCGYWXSMT-AEFFLSMTSA-N 0 3 299.418 2.557 20 30 CFEDHN C#C[C@@H](CC)NCc1cc2c(c(Br)c1)OCO2 ZINC000229878229 623230336 /nfs/dbraw/zinc/23/03/36/623230336.db2.gz QBRJVBYHVFCCPV-JTQLQIEISA-N 0 3 296.164 2.679 20 30 CFEDHN CCCCCCCCCN(C)[C@@H]1CCN(C)C1=O ZINC000172019709 623253608 /nfs/dbraw/zinc/25/36/08/623253608.db2.gz FJCUFLVCUBRTLA-CQSZACIVSA-N 0 3 254.418 2.900 20 30 CFEDHN C#CCCCN1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823509190 623336987 /nfs/dbraw/zinc/33/69/87/623336987.db2.gz IOHNGUYHOJUYQF-KGLIPLIRSA-N 0 3 265.397 2.842 20 30 CFEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966528 623377628 /nfs/dbraw/zinc/37/76/28/623377628.db2.gz RBBWEMOZPMFRKS-YPMHNXCESA-N 0 3 258.321 2.770 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986362 623378820 /nfs/dbraw/zinc/37/88/20/623378820.db2.gz PFXPAYSJMRPCRS-SMDDNHRTSA-N 0 3 288.347 2.779 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@@H]12 ZINC000992109912 623457106 /nfs/dbraw/zinc/45/71/06/623457106.db2.gz FTVFTEZBQRCMSK-QAPCUYQASA-N 0 3 288.435 2.866 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@H]12 ZINC000992109910 623457178 /nfs/dbraw/zinc/45/71/78/623457178.db2.gz FTVFTEZBQRCMSK-MAUKXSAKSA-N 0 3 288.435 2.866 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@H]12 ZINC000992109914 623457361 /nfs/dbraw/zinc/45/73/61/623457361.db2.gz FTVFTEZBQRCMSK-YJBOKZPZSA-N 0 3 288.435 2.866 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@H]12 ZINC000992125233 623462056 /nfs/dbraw/zinc/46/20/56/623462056.db2.gz CTWBGSNAVZBXOC-RLFYNMQTSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc43)CCC[C@H]12 ZINC000992152769 623470498 /nfs/dbraw/zinc/47/04/98/623470498.db2.gz KKSYVFXQCAQWNX-JENIJYKNSA-N 0 3 296.414 2.626 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3occc3CC)CCC[C@H]12 ZINC000992170717 623477437 /nfs/dbraw/zinc/47/74/37/623477437.db2.gz KONUEHIDTMMUKV-WMLDXEAASA-N 0 3 288.391 2.755 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@H]12 ZINC000992403193 623532348 /nfs/dbraw/zinc/53/23/48/623532348.db2.gz JUKPPVZGFPTTQV-UWWQBHOKSA-N 0 3 288.435 2.559 20 30 CFEDHN COC(=O)C1(C#N)CCN(C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000824872233 623582478 /nfs/dbraw/zinc/58/24/78/623582478.db2.gz PUMWLDBEMWPOBZ-UONOGXRCSA-N 0 3 278.396 2.591 20 30 CFEDHN C#CCN(CCOC[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000152163129 623657321 /nfs/dbraw/zinc/65/73/21/623657321.db2.gz CBWWIDGHZFSFNH-PKOBYXMFSA-N 0 3 299.414 2.805 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)C(C)(F)F)[C@@H]1C ZINC000992978253 623826285 /nfs/dbraw/zinc/82/62/85/623826285.db2.gz FCQTVEAMBKHGOH-RYUDHWBXSA-N 0 3 274.355 2.577 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992984153 623829185 /nfs/dbraw/zinc/82/91/85/623829185.db2.gz ROCUSMPRQMEYHB-GOEBONIOSA-N 0 3 272.392 2.845 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986833 623834944 /nfs/dbraw/zinc/83/49/44/623834944.db2.gz HFYFKBGGDQPMTR-CZUORRHYSA-N 0 3 290.382 2.985 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(C)n2)[C@@H]1C ZINC000993040068 623862430 /nfs/dbraw/zinc/86/24/30/623862430.db2.gz ZGYFNTZUZUDXBZ-LSDHHAIUSA-N 0 3 287.407 2.549 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000826861212 623895666 /nfs/dbraw/zinc/89/56/66/623895666.db2.gz BZBCVQLVEJJSQQ-OAHLLOKOSA-N 0 3 268.360 2.824 20 30 CFEDHN C=CC1(CC(=O)N2CC[C@@H](N3CCC3)C2)CCCCC1 ZINC000826950810 623913963 /nfs/dbraw/zinc/91/39/63/623913963.db2.gz XHEWIOBUBVFPBY-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN C#CCOc1ccccc1CN[C@H](C)C1(Cl)CC1 ZINC000925417839 623929758 /nfs/dbraw/zinc/92/97/58/623929758.db2.gz QSXYJGXRUVFPOA-GFCCVEGCSA-N 0 3 263.768 2.948 20 30 CFEDHN CN1CCCc2cc(C=NN[C@H]3CCOC3(C)C)ccc21 ZINC000835014413 623933807 /nfs/dbraw/zinc/93/38/07/623933807.db2.gz ROOMZSNNSTWYEQ-INIZCTEOSA-N 0 3 287.407 2.560 20 30 CFEDHN C#Cc1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000827383561 623996390 /nfs/dbraw/zinc/99/63/90/623996390.db2.gz GCRZEXOCABXDQX-KRWDZBQOSA-N 0 3 292.386 2.534 20 30 CFEDHN C#C[C@H](NCc1scnc1C1CC1)C1CCOCC1 ZINC000827559754 624031048 /nfs/dbraw/zinc/03/10/48/624031048.db2.gz IXAGNBOIQJXJIA-ZDUSSCGKSA-N 0 3 276.405 2.539 20 30 CFEDHN C#C[C@H](NCc1cnc(C(C)(C)C)s1)C1CCOCC1 ZINC000827570175 624035106 /nfs/dbraw/zinc/03/51/06/624035106.db2.gz IVUFFKJSKOADEI-AWEZNQCLSA-N 0 3 292.448 2.959 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC000993216573 624044658 /nfs/dbraw/zinc/04/46/58/624044658.db2.gz PZVKPVUDCJYXEF-DGCLKSJQSA-N 0 3 286.366 2.577 20 30 CFEDHN CCN(Cc1ccccn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000094915643 624071007 /nfs/dbraw/zinc/07/10/07/624071007.db2.gz BISCAMOZMUKBFX-KRWDZBQOSA-N 0 3 281.359 2.509 20 30 CFEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1ccccc1 ZINC000827817903 624100581 /nfs/dbraw/zinc/10/05/81/624100581.db2.gz KUVFVZNGSVRIJY-UHFFFAOYSA-N 0 3 283.375 2.548 20 30 CFEDHN C#CCCN(C/C=C/c1ccc(N(C)C)cc1)CCOC ZINC000827827212 624103658 /nfs/dbraw/zinc/10/36/58/624103658.db2.gz QPDKDEGHOFHMPE-BQYQJAHWSA-N 0 3 286.419 2.738 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2ccc(C)cc2[nH]1 ZINC000827826403 624103762 /nfs/dbraw/zinc/10/37/62/624103762.db2.gz FFVRZCQEOPCWAJ-UHFFFAOYSA-N 0 3 270.376 2.948 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000993487513 624149485 /nfs/dbraw/zinc/14/94/85/624149485.db2.gz NZWBITNGHGCSSK-GJZGRUSLSA-N 0 3 289.423 2.790 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccccc2)[C@@H]1C ZINC000993491956 624149619 /nfs/dbraw/zinc/14/96/19/624149619.db2.gz WLLPCJAUPADIOU-DOTOQJQBSA-N 0 3 286.419 2.774 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000993567626 624152112 /nfs/dbraw/zinc/15/21/12/624152112.db2.gz KTFJHUPXWRCNKD-BBRMVZONSA-N 0 3 297.402 2.937 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000993709609 624159454 /nfs/dbraw/zinc/15/94/54/624159454.db2.gz WESKEOLLKMUTQL-RBGFHDKUSA-N 0 3 276.424 2.578 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993709611 624159560 /nfs/dbraw/zinc/15/95/60/624159560.db2.gz WESKEOLLKMUTQL-RBZJEDDUSA-N 0 3 276.424 2.578 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2occc2C)[C@H]1C ZINC000993761751 624166058 /nfs/dbraw/zinc/16/60/58/624166058.db2.gz JUAOXEUHBFCHDV-HUUCEWRRSA-N 0 3 290.407 2.676 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)cccc2C)[C@@H]1C ZINC000993865478 624172326 /nfs/dbraw/zinc/17/23/26/624172326.db2.gz VGQMSVZQDPTPLO-IRXDYDNUSA-N 0 3 298.430 2.909 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccsc2C)[C@H]1C ZINC000993938681 624175324 /nfs/dbraw/zinc/17/53/24/624175324.db2.gz MMJCJZQFSJOSLS-DOMZBBRYSA-N 0 3 292.448 2.754 20 30 CFEDHN C(=NNCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000916344691 624240710 /nfs/dbraw/zinc/24/07/10/624240710.db2.gz YOBBBWIIUOQZGO-UHFFFAOYSA-N 0 3 295.386 2.647 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994352854 624277852 /nfs/dbraw/zinc/27/78/52/624277852.db2.gz OHJHHNNNXZVUPA-SJLPKXTDSA-N 0 3 298.430 2.909 20 30 CFEDHN N#CC(C(=O)C1CCOCC1)c1ccc2ccccc2n1 ZINC000916849709 624286951 /nfs/dbraw/zinc/28/69/51/624286951.db2.gz YGCOLNBTQGTYNC-AWEZNQCLSA-N 0 3 280.327 2.838 20 30 CFEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)C1CC1 ZINC000916899673 624291231 /nfs/dbraw/zinc/29/12/31/624291231.db2.gz LBHPKIUNUKIAPG-CQSZACIVSA-N 0 3 284.359 2.869 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccccc2C)[C@@H]1C ZINC000994399956 624292963 /nfs/dbraw/zinc/29/29/63/624292963.db2.gz LDBCIEBBWRMMMH-RDJZCZTQSA-N 0 3 286.419 2.693 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc(C)s2)[C@@H]1C ZINC000994500312 624315464 /nfs/dbraw/zinc/31/54/64/624315464.db2.gz QZHSILLPNHSXTK-ZFWWWQNUSA-N 0 3 292.448 2.754 20 30 CFEDHN C=C(Cl)CNC1CCN(OCc2ccccc2)CC1 ZINC000925435627 624326307 /nfs/dbraw/zinc/32/63/07/624326307.db2.gz ACNMFDILOYYBAT-UHFFFAOYSA-N 0 3 280.799 2.925 20 30 CFEDHN CN1CCC[C@@H]1CSc1cccc(F)c1C#N ZINC000917759418 624380248 /nfs/dbraw/zinc/38/02/48/624380248.db2.gz GDVIWCHZVSIUFS-SNVBAGLBSA-N 0 3 250.342 2.884 20 30 CFEDHN C=CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000918055524 624412472 /nfs/dbraw/zinc/41/24/72/624412472.db2.gz CKLSOXOTMCUZMO-INIZCTEOSA-N 0 3 289.423 2.895 20 30 CFEDHN CCC#C[C@@H](C)N(C)C[C@@]1(O)CCc2ccccc21 ZINC000829365502 624425257 /nfs/dbraw/zinc/42/52/57/624425257.db2.gz HESOATPQPLEKAQ-PBHICJAKSA-N 0 3 257.377 2.554 20 30 CFEDHN CC(C)C#CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000829468170 624439574 /nfs/dbraw/zinc/43/95/74/624439574.db2.gz WNXOEOPRMJQWSQ-GOSISDBHSA-N 0 3 298.430 2.769 20 30 CFEDHN CCCCCCCCCN(C)[C@H](C)C(=O)NC(=O)NC ZINC000918741675 624484784 /nfs/dbraw/zinc/48/47/84/624484784.db2.gz LPSVBOBWGVARSH-CYBMUJFWSA-N 0 3 285.432 2.513 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829744638 624519221 /nfs/dbraw/zinc/51/92/21/624519221.db2.gz JECSYFQJDDMXDA-KGLIPLIRSA-N 0 3 285.391 2.669 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000829768732 624529255 /nfs/dbraw/zinc/52/92/55/624529255.db2.gz JMQWWRJPPGOHLH-KRWDZBQOSA-N 0 3 288.435 2.728 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000829773625 624531266 /nfs/dbraw/zinc/53/12/66/624531266.db2.gz HAMVOLYUHHKAEE-SJLPKXTDSA-N 0 3 298.430 2.735 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000829774584 624531394 /nfs/dbraw/zinc/53/13/94/624531394.db2.gz QLEPZVTVASJUPO-YYIAUSFCSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CC[C@@H]1CCCN(CC[S@](=O)c2ccccc2)C1 ZINC000829778493 624532889 /nfs/dbraw/zinc/53/28/89/624532889.db2.gz CUYUTJMQXATPJF-BEFAXECRSA-N 0 3 275.417 2.530 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000829783697 624537161 /nfs/dbraw/zinc/53/71/61/624537161.db2.gz ARVOEMSAUBTGQI-WBVHZDCISA-N 0 3 282.387 2.527 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000830300980 624703627 /nfs/dbraw/zinc/70/36/27/624703627.db2.gz FEFDTDQVSPTXSV-HOCLYGCPSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000830305084 624704744 /nfs/dbraw/zinc/70/47/44/624704744.db2.gz FMHSXFLKYXGGQA-QLFBSQMISA-N 0 3 276.424 2.510 20 30 CFEDHN C#CC1CCN(Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000830345490 624716305 /nfs/dbraw/zinc/71/63/05/624716305.db2.gz FRJLNQHRNKUVFM-UHFFFAOYSA-N 0 3 279.387 2.777 20 30 CFEDHN C#CCCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000920416254 624720710 /nfs/dbraw/zinc/72/07/10/624720710.db2.gz ZRVLDPMEWBHXMV-UHFFFAOYSA-N 0 3 278.399 2.981 20 30 CFEDHN C=C(C)CNC(=S)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000921268378 624831508 /nfs/dbraw/zinc/83/15/08/624831508.db2.gz 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/nfs/dbraw/zinc/50/64/11/626506411.db2.gz WHIWQUCZNYLIHY-UHFFFAOYSA-N 0 3 278.421 2.749 20 30 CFEDHN CN(C)Cc1cccc(C(=O)O[C@@H]2CCCC[C@H]2C#N)c1 ZINC000839084021 626523960 /nfs/dbraw/zinc/52/39/60/626523960.db2.gz WGQBGLJPBZUEJV-JKSUJKDBSA-N 0 3 286.375 2.987 20 30 CFEDHN C#C[C@@H](C)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000839088226 626524136 /nfs/dbraw/zinc/52/41/36/626524136.db2.gz PJGRUPSWJMVFNW-SLBVQIDZSA-N 0 3 275.417 2.936 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839188032 626530395 /nfs/dbraw/zinc/53/03/95/626530395.db2.gz VNIHUNOJWNYLKD-LXZKKBNFSA-N 0 3 286.375 2.588 20 30 CFEDHN C#CCC1(C(=O)N[C@@H](C)CN2CCCCC2)CCCCC1 ZINC000788155238 626538516 /nfs/dbraw/zinc/53/85/16/626538516.db2.gz LSXFINYBSXNZJL-INIZCTEOSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCC1(C(=O)NCCN2CCC[C@@H](C)C2)CCCCC1 ZINC000788158552 626538676 /nfs/dbraw/zinc/53/86/76/626538676.db2.gz IOQGPIHYBBAFRC-MRXNPFEDSA-N 0 3 290.451 2.808 20 30 CFEDHN C#CCN[C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000839653679 626549647 /nfs/dbraw/zinc/54/96/47/626549647.db2.gz BXADPPNIRUQYTH-INIZCTEOSA-N 0 3 257.377 2.893 20 30 CFEDHN CCN(CC)c1ccc(C=NNC2CCOCC2)cc1 ZINC000757598364 626556197 /nfs/dbraw/zinc/55/61/97/626556197.db2.gz KLHOIEFSERMKMO-UHFFFAOYSA-N 0 3 275.396 2.635 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000757858645 626565600 /nfs/dbraw/zinc/56/56/00/626565600.db2.gz PMMVIPYIGUIQKM-RDJZCZTQSA-N 0 3 284.403 2.742 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1(C)CC1 ZINC000759689236 626684301 /nfs/dbraw/zinc/68/43/01/626684301.db2.gz RTDSSWCYZBVZEQ-AWEZNQCLSA-N 0 3 284.359 2.544 20 30 CFEDHN CCCCCCCN1CCN(c2ccnc(C)n2)CC1 ZINC000759891684 626699938 /nfs/dbraw/zinc/69/99/38/626699938.db2.gz LUEXTMDSRSDLEE-UHFFFAOYSA-N 0 3 276.428 2.877 20 30 CFEDHN CC[C@H](OC1CCCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760355382 626738611 /nfs/dbraw/zinc/73/86/11/626738611.db2.gz BQFZHFMWOLABLP-HIFRSBDPSA-N 0 3 287.363 2.781 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1 ZINC000760444721 626746373 /nfs/dbraw/zinc/74/63/73/626746373.db2.gz FSWHJEMTURVJNO-ZDUSSCGKSA-N 0 3 254.333 2.878 20 30 CFEDHN C#CCCN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000760846048 626777332 /nfs/dbraw/zinc/77/73/32/626777332.db2.gz ZAAPGLQGBWBRSB-UHFFFAOYSA-N 0 3 278.399 2.981 20 30 CFEDHN Cc1sc2ncnc(N=NC3C[C@H](C)N(C)C3)c2c1C ZINC000761801755 626859006 /nfs/dbraw/zinc/85/90/06/626859006.db2.gz OQQDRJFKIHCNPA-QMMMGPOBSA-N 0 3 289.408 2.800 20 30 CFEDHN C[C@H]1CC(N=Nc2cccc(Br)c2)CN1C ZINC000761803377 626859394 /nfs/dbraw/zinc/85/93/94/626859394.db2.gz AKWGZKZIEVXSSH-VIFPVBQESA-N 0 3 282.185 2.941 20 30 CFEDHN CCN(CC)c1ccc(CN(C)CC#CCOC)cc1 ZINC000762915633 626949599 /nfs/dbraw/zinc/94/95/99/626949599.db2.gz BHTBWUMWFZXYMZ-UHFFFAOYSA-N 0 3 274.408 2.614 20 30 CFEDHN COCC#CCN1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000762917584 626949948 /nfs/dbraw/zinc/94/99/48/626949948.db2.gz MLQBFJBQFFMHCM-UHFFFAOYSA-N 0 3 282.387 2.997 20 30 CFEDHN C#CCN(CCC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000763950838 627025328 /nfs/dbraw/zinc/02/53/28/627025328.db2.gz ZBBLUVSEVHIUCJ-GOSISDBHSA-N 0 3 296.414 2.668 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCc2cc(CC)[nH]n2)cc1 ZINC000765992258 627170009 /nfs/dbraw/zinc/17/00/09/627170009.db2.gz HZTGWNXJDQQHMC-ZDUSSCGKSA-N 0 3 283.375 2.835 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766574272 627209900 /nfs/dbraw/zinc/20/99/00/627209900.db2.gz XBHFQRAGHHWJRS-VHSXEESVSA-N 0 3 289.347 2.908 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cc(OC)cc(CC=C)c1O ZINC000766665618 627213282 /nfs/dbraw/zinc/21/32/82/627213282.db2.gz JLJDHUJAEVHXIO-LBPRGKRZSA-N 0 3 259.349 2.583 20 30 CFEDHN C#C[C@H](C)[N@@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000766663261 627213519 /nfs/dbraw/zinc/21/35/19/627213519.db2.gz KIBJHARINGZIKH-LBPRGKRZSA-N 0 3 297.354 2.786 20 30 CFEDHN C#C[C@H](C)[N@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000766663261 627213520 /nfs/dbraw/zinc/21/35/20/627213520.db2.gz KIBJHARINGZIKH-LBPRGKRZSA-N 0 3 297.354 2.786 20 30 CFEDHN C#CCCCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000766913427 627226585 /nfs/dbraw/zinc/22/65/85/627226585.db2.gz QHWNNIIWLJBYCO-INIZCTEOSA-N 0 3 286.375 2.512 20 30 CFEDHN Cc1oc2ccccc2c1CC(=O)C(C#N)C(=O)NC(C)C ZINC000767960373 627298358 /nfs/dbraw/zinc/29/83/58/627298358.db2.gz QBOZZMYMIXSNEA-CQSZACIVSA-N 0 3 298.342 2.517 20 30 CFEDHN C#CCCCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000769929275 627489151 /nfs/dbraw/zinc/48/91/51/627489151.db2.gz RMADYXFQWZGGAG-OAHLLOKOSA-N 0 3 274.383 2.918 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)OCCN1CCCCC1 ZINC000770405306 627520153 /nfs/dbraw/zinc/52/01/53/627520153.db2.gz ZTTKPNVFDUCHGF-UHFFFAOYSA-N 0 3 272.348 2.509 20 30 CFEDHN CCN(CC)c1ccc(C=NNC[C@H](C)C#N)cc1 ZINC000771099282 627577219 /nfs/dbraw/zinc/57/72/19/627577219.db2.gz PLRIDVYMSFAATD-CYBMUJFWSA-N 0 3 258.369 2.616 20 30 CFEDHN C[C@H](C#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772707986 627737945 /nfs/dbraw/zinc/73/79/45/627737945.db2.gz BAXXIBCBCCCFBF-CQSZACIVSA-N 0 3 286.375 2.744 20 30 CFEDHN C=C(CC)CN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773423526 627816909 /nfs/dbraw/zinc/81/69/09/627816909.db2.gz GHDPSULYUUKCKJ-CYBMUJFWSA-N 0 3 268.401 2.894 20 30 CFEDHN C=C(CC)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000773422020 627817262 /nfs/dbraw/zinc/81/72/62/627817262.db2.gz QCKFZZVZVJVIGB-CYBMUJFWSA-N 0 3 268.401 2.942 20 30 CFEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773770294 627857536 /nfs/dbraw/zinc/85/75/36/627857536.db2.gz NHCBYOWEYIBJFO-YPMHNXCESA-N 0 3 290.388 2.866 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3c2OCCO3)C1 ZINC000774242667 627907747 /nfs/dbraw/zinc/90/77/47/627907747.db2.gz HUCBEMDYMJFBJX-OCCSQVGLSA-N 0 3 272.348 2.630 20 30 CFEDHN C#CCNC(=O)CN[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775136123 627996238 /nfs/dbraw/zinc/99/62/38/627996238.db2.gz OCIQJDQMMAVTNP-HNNXBMFYSA-N 0 3 290.382 2.642 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775230931 628000977 /nfs/dbraw/zinc/00/09/77/628000977.db2.gz BAIWQPPAQMZYLD-AWEZNQCLSA-N 0 3 290.363 2.536 20 30 CFEDHN N#CCSCCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000805543262 628012190 /nfs/dbraw/zinc/01/21/90/628012190.db2.gz GLNSTAUPXJNHPX-CQSZACIVSA-N 0 3 296.436 2.583 20 30 CFEDHN C#C[C@@H](NCc1cc(C)c(C)cc1C)[C@H]1CCCO1 ZINC000775344418 628013387 /nfs/dbraw/zinc/01/33/87/628013387.db2.gz HCVNJCFBZKDBOJ-IAGOWNOFSA-N 0 3 257.377 2.882 20 30 CFEDHN C#CCNC(=O)CNC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000775376829 628016751 /nfs/dbraw/zinc/01/67/51/628016751.db2.gz SZLSHFPSIZKRMY-UHFFFAOYSA-N 0 3 286.419 2.558 20 30 CFEDHN N#CCCNC(=O)CN[C@H](CC1CCCC1)c1ccccc1 ZINC000775550751 628036067 /nfs/dbraw/zinc/03/60/67/628036067.db2.gz MVENYACUQBWIQL-QGZVFWFLSA-N 0 3 299.418 2.927 20 30 CFEDHN C#C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1CCCO1 ZINC000775571939 628039543 /nfs/dbraw/zinc/03/95/43/628039543.db2.gz NDBXXRBOODVLST-CQROYNQRSA-N 0 3 289.350 2.850 20 30 CFEDHN C#C[C@H](N[C@H]1CCCc2cc(OC)ccc21)[C@H]1CCCO1 ZINC000775573691 628041591 /nfs/dbraw/zinc/04/15/91/628041591.db2.gz JFPAHUGGUPUOEF-OKZBNKHCSA-N 0 3 285.387 2.843 20 30 CFEDHN COCC#CCN1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881463 628079565 /nfs/dbraw/zinc/07/95/65/628079565.db2.gz FSPKUPOGUVHYFT-UHFFFAOYSA-N 0 3 286.419 2.582 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1cc(F)cc(F)c1 ZINC000776181649 628112697 /nfs/dbraw/zinc/11/26/97/628112697.db2.gz YFRYHGROLZCVEL-UHFFFAOYSA-N 0 3 276.290 2.872 20 30 CFEDHN C=CCn1c(SCCN2CCCC2)nnc1C1CC1 ZINC000776432511 628150648 /nfs/dbraw/zinc/15/06/48/628150648.db2.gz GHSONSNPWCITED-UHFFFAOYSA-N 0 3 278.425 2.529 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776610712 628165208 /nfs/dbraw/zinc/16/52/08/628165208.db2.gz VWYMEDLBSVTLTP-KGLIPLIRSA-N 0 3 280.412 2.730 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000852098202 634651992 /nfs/dbraw/zinc/65/19/92/634651992.db2.gz HJHYNRYFHFUQQT-JRBZFYFNSA-N 0 3 278.440 2.707 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000852098201 634652070 /nfs/dbraw/zinc/65/20/70/634652070.db2.gz HJHYNRYFHFUQQT-DRXUAVOGSA-N 0 3 278.440 2.707 20 30 CFEDHN C#CCCCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000779721365 628395661 /nfs/dbraw/zinc/39/56/61/628395661.db2.gz PYWQTGFWVHRBBK-KRWDZBQOSA-N 0 3 286.419 2.989 20 30 CFEDHN C[C@H]1CN=C(NN=C(CC(C)(C)C)c2ccccc2)N1 ZINC000779793354 628406697 /nfs/dbraw/zinc/40/66/97/628406697.db2.gz SNCHELKSCSJMBU-LBPRGKRZSA-N 0 3 272.396 2.764 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000852100713 634655173 /nfs/dbraw/zinc/65/51/73/634655173.db2.gz ZSXVVZUSSXRKLF-GUYCJALGSA-N 0 3 290.382 2.737 20 30 CFEDHN C#C[C@@](C)(CC)NCc1ccc(Cl)cc1-n1cncn1 ZINC000852103317 634657452 /nfs/dbraw/zinc/65/74/52/634657452.db2.gz DINDMEQWQHHRFL-HNNXBMFYSA-N 0 3 288.782 2.812 20 30 CFEDHN C#C[C@](C)(CC)NC[C@@H](O)c1cc2ccccc2o1 ZINC000852103611 634659039 /nfs/dbraw/zinc/65/90/39/634659039.db2.gz MDNPERADZADJEI-CZUORRHYSA-N 0 3 257.333 2.858 20 30 CFEDHN C#C[C@@](C)(CC)NCc1cncn1Cc1ccccc1 ZINC000852104044 634659634 /nfs/dbraw/zinc/65/96/34/634659634.db2.gz ZEIRVPKVQBFSLL-KRWDZBQOSA-N 0 3 267.376 2.823 20 30 CFEDHN CC[C@@H](C#N)OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000781177844 628529848 /nfs/dbraw/zinc/52/98/48/628529848.db2.gz DDNWCJUXRFQPFR-HOTGVXAUSA-N 0 3 286.375 2.744 20 30 CFEDHN C#CCCCN[C@@H](CCO)c1ccccc1Br ZINC000782101183 628604477 /nfs/dbraw/zinc/60/44/77/628604477.db2.gz DRDALLVELHODTM-AWEZNQCLSA-N 0 3 296.208 2.876 20 30 CFEDHN COC[C@H](NCc1cc(C#N)ccc1F)C1CCCC1 ZINC000783253477 628693799 /nfs/dbraw/zinc/69/37/99/628693799.db2.gz HTLHYTUMKTYRLJ-INIZCTEOSA-N 0 3 276.355 2.992 20 30 CFEDHN Cc1ccc(O)c([C@H](C)NCc2ccc(C#N)cn2)c1 ZINC000783300198 628698731 /nfs/dbraw/zinc/69/87/31/628698731.db2.gz KDMNKLSNZUGLPH-LBPRGKRZSA-N 0 3 267.332 2.818 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccccn1 ZINC000852192859 634685099 /nfs/dbraw/zinc/68/50/99/634685099.db2.gz VKWLOVATZQXOOM-CXAGYDPISA-N 0 3 281.359 2.680 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805760752 628816686 /nfs/dbraw/zinc/81/66/86/628816686.db2.gz JMZZJFKYTXNVJW-CYBMUJFWSA-N 0 3 254.374 2.505 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cnccc2C)nc(C)n1 ZINC000784834987 628844282 /nfs/dbraw/zinc/84/42/82/628844282.db2.gz WXJXRSAPBNGKCA-MBVDDHJVSA-N 0 3 292.342 2.687 20 30 CFEDHN C(CC[C@H]1CCOC1)=Nn1cnnc1-c1ccccc1 ZINC000786038885 628932247 /nfs/dbraw/zinc/93/22/47/628932247.db2.gz RZDUTCZKFLREFP-ZDUSSCGKSA-N 0 3 270.336 2.596 20 30 CFEDHN C=C(CC)COC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786877305 628982402 /nfs/dbraw/zinc/98/24/02/628982402.db2.gz CQNSFIJEWBOWOA-CQSZACIVSA-N 0 3 251.370 2.903 20 30 CFEDHN N#CCCCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786878093 628982501 /nfs/dbraw/zinc/98/25/01/628982501.db2.gz FZPYIAXHEXNSJZ-CQSZACIVSA-N 0 3 264.369 2.630 20 30 CFEDHN CC(C)[C@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787066723 628990870 /nfs/dbraw/zinc/99/08/70/628990870.db2.gz OSMOGDWDSPNGMV-DZGCQCFKSA-N 0 3 286.375 2.646 20 30 CFEDHN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787066728 628990931 /nfs/dbraw/zinc/99/09/31/628990931.db2.gz OSMOGDWDSPNGMV-UKRRQHHQSA-N 0 3 286.375 2.646 20 30 CFEDHN C#CC(C)(C)N(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000787998236 629047223 /nfs/dbraw/zinc/04/72/23/629047223.db2.gz YQQLXCJZCHMHJM-UHFFFAOYSA-N 0 3 299.370 2.824 20 30 CFEDHN C#CC[C@H](OC(=O)C1CCN(C2CC2)CC1)C(C)(C)C ZINC000788204760 629050452 /nfs/dbraw/zinc/05/04/52/629050452.db2.gz JKQQTKBBBAPVQC-HNNXBMFYSA-N 0 3 277.408 2.842 20 30 CFEDHN COc1cc(N=NC2C[C@@H](C)N(C)C2)ccc1Cl ZINC000788472764 629072483 /nfs/dbraw/zinc/07/24/83/629072483.db2.gz YVGIQKKCGNJSEZ-SECBINFHSA-N 0 3 267.760 2.841 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC[C@@H](C)O ZINC000788524400 629079105 /nfs/dbraw/zinc/07/91/05/629079105.db2.gz MXQPXTMPKJJXGO-GFCCVEGCSA-N 0 3 281.783 2.603 20 30 CFEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc[nH]c(=O)c1 ZINC000788829145 629103297 /nfs/dbraw/zinc/10/32/97/629103297.db2.gz XWVIADBZIBJGLJ-LBPRGKRZSA-N 0 3 279.343 2.999 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CC[C@H](O)C1 ZINC000788971606 629112084 /nfs/dbraw/zinc/11/20/84/629112084.db2.gz PIXRZCBGMSTEBB-OLZOCXBDSA-N 0 3 293.794 2.603 20 30 CFEDHN CN1CCCc2cc(C=NNCCc3ccncc3)ccc21 ZINC000789093865 629125828 /nfs/dbraw/zinc/12/58/28/629125828.db2.gz MSTJOFSYTBVQIY-UHFFFAOYSA-N 0 3 294.402 2.630 20 30 CFEDHN C#C[C@H](CC)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805917966 629220872 /nfs/dbraw/zinc/22/08/72/629220872.db2.gz FHRLMOYEQLZJFW-MRXNPFEDSA-N 0 3 271.360 2.851 20 30 CFEDHN C#C[C@@H](NCCSCc1ccccc1)[C@H]1CCCO1 ZINC000790338160 629233628 /nfs/dbraw/zinc/23/36/28/629233628.db2.gz DSBJAZYMCBGNIC-HZPDHXFCSA-N 0 3 275.417 2.690 20 30 CFEDHN C#C[C@@H](NCCSCc1ccccc1)[C@@H]1CCCO1 ZINC000790338155 629233651 /nfs/dbraw/zinc/23/36/51/629233651.db2.gz DSBJAZYMCBGNIC-CVEARBPZSA-N 0 3 275.417 2.690 20 30 CFEDHN Cc1cc(F)ccc1[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000852319230 634719776 /nfs/dbraw/zinc/71/97/76/634719776.db2.gz ICSNHZOTCHEWAS-CZUORRHYSA-N 0 3 276.355 2.793 20 30 CFEDHN Cc1ccc(OCCN2CCC[C@H](CC#N)C2)cc1 ZINC000852319820 634720813 /nfs/dbraw/zinc/72/08/13/634720813.db2.gz SBUUFQXHPNSNRX-OAHLLOKOSA-N 0 3 258.365 3.000 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791538489 629328976 /nfs/dbraw/zinc/32/89/76/629328976.db2.gz AQFKIEQXZLBOEQ-RDTXWAMCSA-N 0 3 267.372 2.697 20 30 CFEDHN C[C@@H]1C[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000791573875 629335085 /nfs/dbraw/zinc/33/50/85/629335085.db2.gz JOARRGAGVHBURA-IJLUTSLNSA-N 0 3 299.399 2.955 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835063234 629365720 /nfs/dbraw/zinc/36/57/20/629365720.db2.gz IXCUDQLLHMAMCE-OUAUKWLOSA-N 0 3 296.248 2.532 20 30 CFEDHN C=CCN(Cc1cccc2nsnc21)[C@H](C)COC ZINC000852358616 634732808 /nfs/dbraw/zinc/73/28/08/634732808.db2.gz VZMKUIIUYLZWKX-LLVKDONJSA-N 0 3 277.393 2.714 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(F)F)c1 ZINC000796634904 629943775 /nfs/dbraw/zinc/94/37/75/629943775.db2.gz VZYIHQCSRPDTBW-LLVKDONJSA-N 0 3 280.274 2.688 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCc2n[nH]cc21 ZINC000796973431 629997809 /nfs/dbraw/zinc/99/78/09/629997809.db2.gz XKJVQKLJNGMIOP-CVEARBPZSA-N 0 3 278.359 2.936 20 30 CFEDHN C#CCC(C)(C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000839824646 630070121 /nfs/dbraw/zinc/07/01/21/630070121.db2.gz SZDAZHTUXXLVSL-UHFFFAOYSA-N 0 3 276.355 2.875 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CN(C)CCCCCC ZINC000798039384 630144045 /nfs/dbraw/zinc/14/40/45/630144045.db2.gz HNWFBMJSZSAXHH-DOTOQJQBSA-N 0 3 296.455 2.596 20 30 CFEDHN Cc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1C#N ZINC000799376917 630305234 /nfs/dbraw/zinc/30/52/34/630305234.db2.gz FZSMFTZHUZDFER-INIZCTEOSA-N 0 3 299.418 2.717 20 30 CFEDHN CCN1CCN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000799720626 630339183 /nfs/dbraw/zinc/33/91/83/630339183.db2.gz KQEZNBYPKFSDPU-DOTOQJQBSA-N 0 3 298.434 2.933 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@H]1c1ccsc1 ZINC000801915596 630484018 /nfs/dbraw/zinc/48/40/18/630484018.db2.gz SIBKQLSOTSEARK-YPMHNXCESA-N 0 3 250.367 2.814 20 30 CFEDHN C[C@@H](C#N)OCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000801912451 630485999 /nfs/dbraw/zinc/48/59/99/630485999.db2.gz RKBLVCHNBDMEQD-KBPBESRZSA-N 0 3 294.420 2.658 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@H](c2cccc(F)c2)C1 ZINC000801918340 630487972 /nfs/dbraw/zinc/48/79/72/630487972.db2.gz JYDPYLWMIXVEOX-GXTWGEPZSA-N 0 3 262.328 2.544 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(N(C)c2ccccc2)CC1 ZINC000801924998 630489475 /nfs/dbraw/zinc/48/94/75/630489475.db2.gz XSVOZKRBDGOMTQ-OAHLLOKOSA-N 0 3 287.407 2.516 20 30 CFEDHN C[C@H](C#N)OCCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000801939371 630492207 /nfs/dbraw/zinc/49/22/07/630492207.db2.gz SIAKXJWODFRANK-HBNTYKKESA-N 0 3 264.291 2.578 20 30 CFEDHN Cc1cc(C)c2c(c1)CN(CCO[C@@H](C)C#N)CC2 ZINC000801943856 630493475 /nfs/dbraw/zinc/49/34/75/630493475.db2.gz JZEAIQBCBUFIKY-AWEZNQCLSA-N 0 3 258.365 2.590 20 30 CFEDHN C=CCOCCN[C@@H]1CCc2nc(Cl)ccc21 ZINC000806159177 630776659 /nfs/dbraw/zinc/77/66/59/630776659.db2.gz ZIDVSQQQAQXHNC-LLVKDONJSA-N 0 3 252.745 2.515 20 30 CFEDHN COc1ccc(CN(C)C)cc1NC(=O)C#CC(C)(C)C ZINC000837337204 631004270 /nfs/dbraw/zinc/00/42/70/631004270.db2.gz CBEFNCQEGGNVFD-UHFFFAOYSA-N 0 3 288.391 2.745 20 30 CFEDHN Cc1ccc([C@@H](CNC(=O)C#CC2CC2)N2CCCC2)cc1 ZINC000837379135 631017592 /nfs/dbraw/zinc/01/75/92/631017592.db2.gz VASWRYVOTCITFF-GOSISDBHSA-N 0 3 296.414 2.662 20 30 CFEDHN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1ccccc1 ZINC000837411687 631023933 /nfs/dbraw/zinc/02/39/33/631023933.db2.gz XMBWTWCHIFKFOG-HNNXBMFYSA-N 0 3 286.419 2.673 20 30 CFEDHN C#CCCCN1CCN(c2nccc3sccc32)CC1 ZINC000808780659 631047417 /nfs/dbraw/zinc/04/74/17/631047417.db2.gz WBLIREDXAKJFQF-UHFFFAOYSA-N 0 3 285.416 2.832 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)OC[C@@H]1CCCCN1C(C)C ZINC000837702348 631112070 /nfs/dbraw/zinc/11/20/70/631112070.db2.gz PWIANEJDMRFRGB-ZDUSSCGKSA-N 0 3 290.363 2.879 20 30 CFEDHN C#C[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)[C@H]1CCCO1 ZINC000809642346 631255024 /nfs/dbraw/zinc/25/50/24/631255024.db2.gz HCUOXAKPWWCIRJ-PLOGVPAPSA-N 0 3 291.341 2.981 20 30 CFEDHN C#C[C@H](NCc1ccnn1-c1ccccc1C)C(C)C ZINC000809684741 631261823 /nfs/dbraw/zinc/26/18/23/631261823.db2.gz LZYMIEHKGFVHNV-INIZCTEOSA-N 0 3 267.376 2.928 20 30 CFEDHN C#C[C@H](NCc1ccc(OCCOC)cc1)C(C)(C)C ZINC000809781406 631288090 /nfs/dbraw/zinc/28/80/90/631288090.db2.gz QRDTVLBAFZBZIM-INIZCTEOSA-N 0 3 275.392 2.849 20 30 CFEDHN C#Cc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1 ZINC000809793327 631292418 /nfs/dbraw/zinc/29/24/18/631292418.db2.gz COHZIDUFEMPGSQ-HXUWFJFHSA-N 0 3 283.396 2.695 20 30 CFEDHN CN(CCCC(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072479 631322587 /nfs/dbraw/zinc/32/25/87/631322587.db2.gz HJDHWUAIPKBART-UHFFFAOYSA-N 0 3 295.427 2.867 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810127897 631328243 /nfs/dbraw/zinc/32/82/43/631328243.db2.gz HYIHHAJSWBVPEY-CQSZACIVSA-N 0 3 270.376 2.877 20 30 CFEDHN C=CCCCCCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000841903654 631492069 /nfs/dbraw/zinc/49/20/69/631492069.db2.gz ZPIXYEBAIYHERB-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN CC[C@@H](O)CNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000811653050 631594403 /nfs/dbraw/zinc/59/44/03/631594403.db2.gz FLESMSVGMHKYRF-FOCJWIDLSA-N 0 3 287.407 2.644 20 30 CFEDHN CC(=NNC[C@@H]1CCSC1)c1ccc(N)cc1C ZINC000811658857 631597299 /nfs/dbraw/zinc/59/72/99/631597299.db2.gz KSHXTWKPJBRGCW-LBPRGKRZSA-N 0 3 263.410 2.644 20 30 CFEDHN C[C@H](CO)N(C)N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000842545255 631661156 /nfs/dbraw/zinc/66/11/56/631661156.db2.gz ROSNOULHVIILKB-FOCJWIDLSA-N 0 3 287.407 2.596 20 30 CFEDHN CN1CCCc2cc(C=NNC34CC(C3)C4)ccc21 ZINC000842547244 631661754 /nfs/dbraw/zinc/66/17/54/631661754.db2.gz UCNDUSYDEWIUHJ-UHFFFAOYSA-N 0 3 255.365 2.545 20 30 CFEDHN C#CC[C@@H]1CCCN(Cn2nccc2-c2ccncc2)C1 ZINC000842628630 631685899 /nfs/dbraw/zinc/68/58/99/631685899.db2.gz CVRKLQJMMVJQRN-OAHLLOKOSA-N 0 3 280.375 2.638 20 30 CFEDHN N#CC(C(=O)NCc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC000842685005 631706392 /nfs/dbraw/zinc/70/63/92/631706392.db2.gz QYZKLXJBVPPGDE-HNNXBMFYSA-N 0 3 296.370 2.592 20 30 CFEDHN C#CCCOc1ccc(CNCc2ccc(CO)cc2)cc1 ZINC000842732373 631721562 /nfs/dbraw/zinc/72/15/62/631721562.db2.gz MKIXYLARDAGVRD-UHFFFAOYSA-N 0 3 295.382 2.871 20 30 CFEDHN C#CCN(Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000155723825 650029926 /nfs/dbraw/zinc/02/99/26/650029926.db2.gz QFZWEEYGLNWTOT-UHFFFAOYSA-N 0 3 258.321 2.973 20 30 CFEDHN C=C[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813114548 631846547 /nfs/dbraw/zinc/84/65/47/631846547.db2.gz SQECXMMRVFWIRR-VXGBXAGGSA-N 0 3 263.293 2.555 20 30 CFEDHN CCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212694 631881172 /nfs/dbraw/zinc/88/11/72/631881172.db2.gz FKCGSXSCPMOGLG-WCBMZHEXSA-N 0 3 286.253 2.702 20 30 CFEDHN COC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCC1 ZINC000813211904 631881776 /nfs/dbraw/zinc/88/17/76/631881776.db2.gz SSUGYVTULURNSR-JTQLQIEISA-N 0 3 298.264 2.846 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCO1 ZINC000813216440 631883187 /nfs/dbraw/zinc/88/31/87/631883187.db2.gz RPZLCVVATVODKL-ZWNOBZJWSA-N 0 3 298.264 2.846 20 30 CFEDHN CO[C@@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813219027 631883243 /nfs/dbraw/zinc/88/32/43/631883243.db2.gz VMNZSCJNYZZTGB-GXFFZTMASA-N 0 3 298.264 2.702 20 30 CFEDHN C#CC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000843426700 631954386 /nfs/dbraw/zinc/95/43/86/631954386.db2.gz HDQNGJALWVJAAN-ALCCZGGFSA-N 0 3 270.332 2.953 20 30 CFEDHN C#CC1CCN(Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000843426741 631954490 /nfs/dbraw/zinc/95/44/90/631954490.db2.gz IVYFCKXHGGTVNQ-CYBMUJFWSA-N 0 3 285.387 2.864 20 30 CFEDHN CC#CC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000813753103 631956000 /nfs/dbraw/zinc/95/60/00/631956000.db2.gz SRBDFNAOKDHXIX-KRWDZBQOSA-N 0 3 286.419 2.627 20 30 CFEDHN CCC(=NNC[C@@H]1CCSC1)c1cccc(N)c1 ZINC000814935765 632173332 /nfs/dbraw/zinc/17/33/32/632173332.db2.gz RESJOMUIFHWDNF-NSHDSACASA-N 0 3 263.410 2.726 20 30 CFEDHN CCC(=NNC[C@H]1CCSC1)c1cccc(N)c1 ZINC000814935763 632173578 /nfs/dbraw/zinc/17/35/78/632173578.db2.gz RESJOMUIFHWDNF-LLVKDONJSA-N 0 3 263.410 2.726 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1cccc2ccccc21)[C@@H]1CCCO1 ZINC000815093663 632200744 /nfs/dbraw/zinc/20/07/44/632200744.db2.gz PVOFFSVBRDGHQV-QYZOEREBSA-N 0 3 295.382 2.644 20 30 CFEDHN C[C@H](C#N)OCCN1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000844426650 632207402 /nfs/dbraw/zinc/20/74/02/632207402.db2.gz ZJUCZVSXNUOMGD-KGLIPLIRSA-N 0 3 296.411 2.501 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000815209387 632229120 /nfs/dbraw/zinc/22/91/20/632229120.db2.gz VFCPIYBIYBJMSF-SWLSCSKDSA-N 0 3 294.782 2.722 20 30 CFEDHN C=C[C@H](C)ON=Cc1ccc(N(CC)CCO)cc1C ZINC000844624317 632267492 /nfs/dbraw/zinc/26/74/92/632267492.db2.gz LHDWVQIWUCQREH-AWEZNQCLSA-N 0 3 276.380 2.739 20 30 CFEDHN C=C(C)CONC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000845612113 632484104 /nfs/dbraw/zinc/48/41/04/632484104.db2.gz SDBOBGCHAPFUCF-CHWSQXEVSA-N 0 3 295.383 2.516 20 30 CFEDHN CC#CCCCC(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845730216 632536786 /nfs/dbraw/zinc/53/67/86/632536786.db2.gz HFODOAQRSVCXFL-CYBMUJFWSA-N 0 3 251.370 2.596 20 30 CFEDHN CCCCCCN(C)CC(=O)N(C)CC(C)(C)C#N ZINC000817617824 632676059 /nfs/dbraw/zinc/67/60/59/632676059.db2.gz GQSWTFNPYLJJJC-UHFFFAOYSA-N 0 3 267.417 2.507 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCC#N)C1CCCCCCC1 ZINC000818105996 632801726 /nfs/dbraw/zinc/80/17/26/632801726.db2.gz RUHRGZXEVGRKBU-AWEZNQCLSA-N 0 3 265.401 2.579 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)cn1)[C@@H](O)c1ccccc1 ZINC000846903737 632840304 /nfs/dbraw/zinc/84/03/04/632840304.db2.gz YBUBHTXSJJEGST-MSOLQXFVSA-N 0 3 295.386 2.801 20 30 CFEDHN CC(=O)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000846951973 632856920 /nfs/dbraw/zinc/85/69/20/632856920.db2.gz UPDIVZOWFFZAMQ-GFCCVEGCSA-N 0 3 256.349 2.920 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(CC(C)C)cc1 ZINC000818615324 632880308 /nfs/dbraw/zinc/88/03/08/632880308.db2.gz ILXOBTJMXHDGFJ-UHFFFAOYSA-N 0 3 286.419 2.570 20 30 CFEDHN C#C[C@H]1CCCN([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000847021337 632885260 /nfs/dbraw/zinc/88/52/60/632885260.db2.gz JNGPETNZVHMNTH-WMZOPIPTSA-N 0 3 296.414 2.523 20 30 CFEDHN N#Cc1ccc(C2(NC[C@H]3CC4(CC4)C(=O)O3)CCC2)cc1 ZINC000847059767 632906397 /nfs/dbraw/zinc/90/63/97/632906397.db2.gz PFVBWTLYMQUBCB-OAHLLOKOSA-N 0 3 296.370 2.623 20 30 CFEDHN CCOC(CNC1(c2ccc(C#N)cc2)CCC1)OCC ZINC000847062434 632908442 /nfs/dbraw/zinc/90/84/42/632908442.db2.gz YEUGVRQMUSWKEI-UHFFFAOYSA-N 0 3 288.391 2.926 20 30 CFEDHN C[C@@H](COC(=O)c1cccc(CC#N)c1)N1CCCCC1 ZINC000847958518 633165554 /nfs/dbraw/zinc/16/55/54/633165554.db2.gz BUAKSMZLXXHPFP-AWEZNQCLSA-N 0 3 286.375 2.784 20 30 CFEDHN C[C@@H](COC(=O)c1ccc(C#N)cc1)N1CCCCC1 ZINC000847960196 633166700 /nfs/dbraw/zinc/16/67/00/633166700.db2.gz ZOCFUCZEIHCFID-ZDUSSCGKSA-N 0 3 272.348 2.589 20 30 CFEDHN C=CCC1(C(=O)OC[C@@H](C)N2CCCCC2)CCOCC1 ZINC000847961933 633168389 /nfs/dbraw/zinc/16/83/89/633168389.db2.gz CDVHZBNKUIEWJR-OAHLLOKOSA-N 0 3 295.423 2.777 20 30 CFEDHN C#C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000848288038 633234634 /nfs/dbraw/zinc/23/46/34/633234634.db2.gz YSRZXJIGAHNTFQ-INIZCTEOSA-N 0 3 296.414 2.768 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc2ccccc2c1 ZINC000848396195 633248086 /nfs/dbraw/zinc/24/80/86/633248086.db2.gz NGNMMEQLQLBETM-QGZVFWFLSA-N 0 3 295.386 2.867 20 30 CFEDHN CC[C@](C)(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000848398968 633248978 /nfs/dbraw/zinc/24/89/78/633248978.db2.gz NCEQOPDLHAMIOT-RDJZCZTQSA-N 0 3 287.407 2.839 20 30 CFEDHN COc1cccc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848408613 633250915 /nfs/dbraw/zinc/25/09/15/633250915.db2.gz UDCBEBAXYQKVQE-CYBMUJFWSA-N 0 3 274.368 2.506 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(OCC)c(OC)c2)C1 ZINC000848922978 633404840 /nfs/dbraw/zinc/40/48/40/633404840.db2.gz ASXZDPAYEQMEAO-CQSZACIVSA-N 0 3 273.376 2.939 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000848923943 633405915 /nfs/dbraw/zinc/40/59/15/633405915.db2.gz TUSCULCMYOCICK-ZDUSSCGKSA-N 0 3 269.348 2.823 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000848924703 633407138 /nfs/dbraw/zinc/40/71/38/633407138.db2.gz YIQOYULQIMMZDP-CYBMUJFWSA-N 0 3 258.321 2.748 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC000848924560 633407552 /nfs/dbraw/zinc/40/75/52/633407552.db2.gz VIBYSPPZBGGZFV-HNNXBMFYSA-N 0 3 269.392 2.527 20 30 CFEDHN N=C(NCC#Cc1ccccc1)Nc1cc(F)ccc1F ZINC000849080930 633483753 /nfs/dbraw/zinc/48/37/53/633483753.db2.gz YKKAZMVTQDVAAX-UHFFFAOYSA-N 0 3 285.297 2.953 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=S)NC1CCN(C)CC1 ZINC000849269293 633600483 /nfs/dbraw/zinc/60/04/83/633600483.db2.gz WTJLWHITJVSNAH-ZFWWWQNUSA-N 0 3 295.496 2.680 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1occc1C ZINC000850752992 634079556 /nfs/dbraw/zinc/07/95/56/634079556.db2.gz WZXBMRPWBOUAMJ-CYBMUJFWSA-N 0 3 290.363 2.536 20 30 CFEDHN N#CC(C(=O)C1CC2(C1)CCCCC2)C(=O)N1CCCC1 ZINC000850752458 634079748 /nfs/dbraw/zinc/07/97/48/634079748.db2.gz OJBDSOFJPWIVMA-AWEZNQCLSA-N 0 3 288.391 2.678 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C(=O)CCC2(C)C)C1 ZINC000853537070 635032136 /nfs/dbraw/zinc/03/21/36/635032136.db2.gz NWXQMTLSXHHPJN-ZDUSSCGKSA-N 0 3 250.386 2.633 20 30 CFEDHN CC(C)[C@@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000853642969 635057709 /nfs/dbraw/zinc/05/77/09/635057709.db2.gz OITURQIFIZSYDV-CQSZACIVSA-N 0 3 276.380 2.918 20 30 CFEDHN C#CCSCCNCc1ccnn1CCc1ccccc1 ZINC000856770293 635852786 /nfs/dbraw/zinc/85/27/86/635852786.db2.gz OQMOFFZGBXSUEN-UHFFFAOYSA-N 0 3 299.443 2.582 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](c1cccc(C)c1)C(C)C ZINC000858403300 636222730 /nfs/dbraw/zinc/22/27/30/636222730.db2.gz AHODBBNANVWIFC-MRXNPFEDSA-N 0 3 295.448 2.883 20 30 CFEDHN C#CC[C@H](CCOC)Nc1ccnc2ccc(C)cc21 ZINC000858855684 636358245 /nfs/dbraw/zinc/35/82/45/636358245.db2.gz DOBIWWJCVANRBN-CQSZACIVSA-N 0 3 268.360 2.805 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000859396608 636557150 /nfs/dbraw/zinc/55/71/50/636557150.db2.gz HKZBONZWVLGEDK-ZDUSSCGKSA-N 0 3 292.354 2.598 20 30 CFEDHN C#CCCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859581908 636609344 /nfs/dbraw/zinc/60/93/44/636609344.db2.gz JGAITUAQLRCTLY-GOSISDBHSA-N 0 3 283.371 2.900 20 30 CFEDHN COc1ccc([C@H]2CCN(CCO[C@H](C)C#N)C2)cc1F ZINC000860104232 636788390 /nfs/dbraw/zinc/78/83/90/636788390.db2.gz KTVWZIXPWMVWFG-OCCSQVGLSA-N 0 3 292.354 2.552 20 30 CFEDHN COc1cccc([C@@H](O)C2CCN(CCCC#N)CC2)c1 ZINC000860134193 636796433 /nfs/dbraw/zinc/79/64/33/636796433.db2.gz VGZDKZVJPWOBRW-KRWDZBQOSA-N 0 3 288.391 2.744 20 30 CFEDHN CCc1ccc(C#CC(=O)N(CC)C2CCN(C)CC2)cc1 ZINC000861889980 637250965 /nfs/dbraw/zinc/25/09/65/637250965.db2.gz AVJYFKFCDBKPTE-UHFFFAOYSA-N 0 3 298.430 2.543 20 30 CFEDHN FC(F)Oc1ccc(N=NC2CN3C[C@@H]2CCC3)cc1 ZINC000863088294 637552664 /nfs/dbraw/zinc/55/26/64/637552664.db2.gz CXBMFSKKENUJCN-JTQLQIEISA-N 0 3 281.306 2.782 20 30 CFEDHN CCC(=NNCCC(=O)OC(C)(C)C)c1ccc(N)cc1 ZINC000863106745 637556449 /nfs/dbraw/zinc/55/64/49/637556449.db2.gz OESIUZOTRHPRBY-UHFFFAOYSA-N 0 3 291.395 2.704 20 30 CFEDHN CCn1c(C)cc(C=NNc2ccnc(C)c2)c1C ZINC000863158634 637572697 /nfs/dbraw/zinc/57/26/97/637572697.db2.gz JVLDZYBFVWNJGF-UHFFFAOYSA-N 0 3 256.353 2.696 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1cnn(C(C)(C)C)c1C ZINC000863159508 637573812 /nfs/dbraw/zinc/57/38/12/637573812.db2.gz UNAYMYUQQLJKCA-UHFFFAOYSA-N 0 3 285.395 2.908 20 30 CFEDHN COc1ccc(C=NNc2ccnc(C)c2)c(C)c1OC ZINC000863159422 637574394 /nfs/dbraw/zinc/57/43/94/637574394.db2.gz QNSGGPAIHCEECH-UHFFFAOYSA-N 0 3 285.347 2.584 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccnc(C(F)(F)F)c1 ZINC000863181712 637581787 /nfs/dbraw/zinc/58/17/87/637581787.db2.gz QIDZVIDGXISTRM-SECBINFHSA-N 0 3 298.312 2.982 20 30 CFEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN(C1CC1)C1CC1 ZINC000863302463 637620965 /nfs/dbraw/zinc/62/09/65/637620965.db2.gz FCFMXYWNBZLPPL-UHFFFAOYSA-N 0 3 293.374 2.710 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1CCC(C)(C)O1 ZINC000189720456 650395292 /nfs/dbraw/zinc/39/52/92/650395292.db2.gz QJCJCNNNGDJREU-HNNXBMFYSA-N 0 3 273.376 2.746 20 30 CFEDHN C=CCOCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000076843210 650407197 /nfs/dbraw/zinc/40/71/97/650407197.db2.gz JKRXOXCBIMSUKM-LBPRGKRZSA-N 0 3 284.315 2.987 20 30 CFEDHN CC(C)N1CC[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865470490 638356984 /nfs/dbraw/zinc/35/69/84/638356984.db2.gz CCOVLERTLIDHHA-NSHDSACASA-N 0 3 292.314 2.500 20 30 CFEDHN C[C@@H]1CCCN1CCNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865563872 638427077 /nfs/dbraw/zinc/42/70/77/638427077.db2.gz BSKATOUTXRRKGY-SNVBAGLBSA-N 0 3 292.314 2.502 20 30 CFEDHN Cc1nocc1CNC1CCN(c2ccccc2C#N)CC1 ZINC000865696241 638519739 /nfs/dbraw/zinc/51/97/39/638519739.db2.gz XWAQBKFYVRGXRD-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2cc(C(=O)OCC)no2)C1 ZINC000865763832 638561433 /nfs/dbraw/zinc/56/14/33/638561433.db2.gz OSEYCXHFVAEETN-RYUDHWBXSA-N 0 3 278.352 2.686 20 30 CFEDHN CC(C)N(C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866225223 638773772 /nfs/dbraw/zinc/77/37/72/638773772.db2.gz RJUPPLNAXSUPRH-ZDUSSCGKSA-N 0 3 275.396 2.645 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H](C)O[C@H]3C)nc21 ZINC000870207725 639545030 /nfs/dbraw/zinc/54/50/30/639545030.db2.gz OAZVSIXXDXGFPY-WUHRBBMRSA-N 0 3 297.358 2.861 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@H](C)O[C@H]3C)[nH]c21 ZINC000870207725 639545033 /nfs/dbraw/zinc/54/50/33/639545033.db2.gz OAZVSIXXDXGFPY-WUHRBBMRSA-N 0 3 297.358 2.861 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000191764244 650522239 /nfs/dbraw/zinc/52/22/39/650522239.db2.gz OTXRQLRRKHQJLR-CQSZACIVSA-N 0 3 274.364 2.612 20 30 CFEDHN COc1ccc(CN[C@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000192950317 650611171 /nfs/dbraw/zinc/61/11/71/650611171.db2.gz QFFFPLCTKZCVOA-CYBMUJFWSA-N 0 3 297.358 2.843 20 30 CFEDHN C=CCC1(C(=O)N2CCN(C)C(C)(C)CC2)CCC1 ZINC000871157013 641221149 /nfs/dbraw/zinc/22/11/49/641221149.db2.gz RURJIOLKAIRANI-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001018021169 651263769 /nfs/dbraw/zinc/26/37/69/651263769.db2.gz XCCNDAGQEGDCNT-KFWWJZLASA-N 0 3 264.413 2.530 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123618379 641316957 /nfs/dbraw/zinc/31/69/57/641316957.db2.gz LGCVKWIQNSIYSP-OAHLLOKOSA-N 0 3 296.326 2.732 20 30 CFEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193398736 650651239 /nfs/dbraw/zinc/65/12/39/650651239.db2.gz IIORLSQNIIDZEJ-NSHDSACASA-N 0 3 264.712 2.643 20 30 CFEDHN C=C(C)COCCN[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871874835 641494113 /nfs/dbraw/zinc/49/41/13/641494113.db2.gz XBMHTNSKCTUUSY-INIZCTEOSA-N 0 3 290.407 2.894 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000871938994 641519023 /nfs/dbraw/zinc/51/90/23/641519023.db2.gz JCVKZRCIPXYEOS-ZVZYQTTQSA-N 0 3 296.414 2.788 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)CC(C)(C)C1 ZINC000872222697 641707401 /nfs/dbraw/zinc/70/74/01/641707401.db2.gz ANMRUNBACIMOBA-ZDUSSCGKSA-N 0 3 295.427 2.915 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCCC#N)CC1 ZINC000872220134 641707526 /nfs/dbraw/zinc/70/75/26/641707526.db2.gz FJDYNQSGUWPKOE-JOCQHMNTSA-N 0 3 281.400 2.573 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCC(C)(C)C=C)CC1 ZINC000872901387 641959594 /nfs/dbraw/zinc/95/95/94/641959594.db2.gz CLZIYRNJYKWSHM-UHFFFAOYSA-N 0 3 293.455 2.928 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)c(F)c1 ZINC000873155580 642038758 /nfs/dbraw/zinc/03/87/58/642038758.db2.gz GCROYBPPVCCSAQ-INWMFGNUSA-N 0 3 274.339 2.745 20 30 CFEDHN C#CCN(CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000124993003 642379103 /nfs/dbraw/zinc/37/91/03/642379103.db2.gz GUJFONIPVBNSIM-KRWDZBQOSA-N 0 3 257.377 2.652 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000874863109 642534851 /nfs/dbraw/zinc/53/48/51/642534851.db2.gz HOXZVTXIYUDWSX-BZUAXINKSA-N 0 3 276.424 2.559 20 30 CFEDHN CCCCCCCNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000875761739 642681053 /nfs/dbraw/zinc/68/10/53/642681053.db2.gz MMZFFLQTPGYPBV-AWEZNQCLSA-N 0 3 269.433 2.692 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(Cl)ccc1OC ZINC000876545153 642913187 /nfs/dbraw/zinc/91/31/87/642913187.db2.gz BOTMOQSFFGCIGL-VIFPVBQESA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(F)c1 ZINC000876547259 642915921 /nfs/dbraw/zinc/91/59/21/642915921.db2.gz NCYXIYXFSUUIOM-LLVKDONJSA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000876555602 642920478 /nfs/dbraw/zinc/92/04/78/642920478.db2.gz AXCOWOIFRLRGNC-LBPRGKRZSA-N 0 3 287.190 2.768 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCCC ZINC000876556429 642920616 /nfs/dbraw/zinc/92/06/16/642920616.db2.gz RJNYLBCTHJMROX-LLVKDONJSA-N 0 3 282.771 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000876559832 642921992 /nfs/dbraw/zinc/92/19/92/642921992.db2.gz HGFXYIDOMLGSQW-AAEUAGOBSA-N 0 3 266.772 2.676 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1cccs1 ZINC000876562851 642923987 /nfs/dbraw/zinc/92/39/87/642923987.db2.gz UMKAUSIMOSSCSO-LLVKDONJSA-N 0 3 272.801 2.567 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000876568262 642927370 /nfs/dbraw/zinc/92/73/70/642927370.db2.gz HCACUTCMRBMGBF-RQJABVFESA-N 0 3 284.831 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCc1ccccc1 ZINC000876570523 642928152 /nfs/dbraw/zinc/92/81/52/642928152.db2.gz FIICKDYTWFNGFJ-CQSZACIVSA-N 0 3 280.799 2.595 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000876570342 642928435 /nfs/dbraw/zinc/92/84/35/642928435.db2.gz AOLVPFDEVMKHBX-CMPLNLGQSA-N 0 3 284.812 2.785 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000876570344 642928765 /nfs/dbraw/zinc/92/87/65/642928765.db2.gz AOLVPFDEVMKHBX-PWSUYJOCSA-N 0 3 284.812 2.785 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000876574628 642929606 /nfs/dbraw/zinc/92/96/06/642929606.db2.gz GVKCDMNKJRWLJJ-CQSZACIVSA-N 0 3 278.783 2.648 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000876577921 642931275 /nfs/dbraw/zinc/93/12/75/642931275.db2.gz UTAGVFPARHSGDC-ZDUSSCGKSA-N 0 3 282.771 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000876588240 642935247 /nfs/dbraw/zinc/93/52/47/642935247.db2.gz CUHYJORRRAUGFT-OCCSQVGLSA-N 0 3 280.799 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)c1ccccc1OC ZINC000876592194 642936904 /nfs/dbraw/zinc/93/69/04/642936904.db2.gz RPNLJVTUYBURHX-STQMWFEESA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000876591451 642937042 /nfs/dbraw/zinc/93/70/42/642937042.db2.gz LJCYZYKTYRJKKQ-VXGBXAGGSA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000876603561 642941770 /nfs/dbraw/zinc/94/17/70/642941770.db2.gz WULDUZHZCLUDTL-AHLTXXRQSA-N 0 3 284.831 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCCCCCC1 ZINC000876609377 642943415 /nfs/dbraw/zinc/94/34/15/642943415.db2.gz RVKALWRFJSTPTQ-ZDUSSCGKSA-N 0 3 272.820 2.933 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](c2ccccc2C)C1 ZINC000876638781 642953607 /nfs/dbraw/zinc/95/36/07/642953607.db2.gz ODZZXUWYDJDGLP-DZGCQCFKSA-N 0 3 292.810 2.781 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000876643057 642955383 /nfs/dbraw/zinc/95/53/83/642955383.db2.gz SFBHXJVVWSYUBG-BXUZGUMPSA-N 0 3 280.799 2.718 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000876647726 642957340 /nfs/dbraw/zinc/95/73/40/642957340.db2.gz OIOJREITVIRSLT-XQQFMLRXSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2C ZINC000876648960 642958272 /nfs/dbraw/zinc/95/82/72/642958272.db2.gz IAJXTFNGVMNJQG-ZIAGYGMSSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000876651995 642959248 /nfs/dbraw/zinc/95/92/48/642959248.db2.gz FPKDTEQTKMMEJH-ZFWWWQNUSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000876661591 642962348 /nfs/dbraw/zinc/96/23/48/642962348.db2.gz GFYPDLXFOLBOIH-ZWNOBZJWSA-N 0 3 296.773 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1CC ZINC000876663693 642962687 /nfs/dbraw/zinc/96/26/87/642962687.db2.gz BFDRBLSUIIRBDJ-GJZGRUSLSA-N 0 3 292.810 2.992 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC(C)(C)CC1 ZINC000876665923 642963691 /nfs/dbraw/zinc/96/36/91/642963691.db2.gz CIEXGFJEANCENU-LLVKDONJSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2[C@H]1C ZINC000876669656 642965776 /nfs/dbraw/zinc/96/57/76/642965776.db2.gz UEAYXXDWUSBVNB-ZWNOBZJWSA-N 0 3 264.756 2.560 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@](C)(CCC)C1 ZINC000876670843 642966346 /nfs/dbraw/zinc/96/63/46/642966346.db2.gz RNUGBSMPOAZFLS-TZMCWYRMSA-N 0 3 272.820 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1cccc(F)c1 ZINC000876673281 642967212 /nfs/dbraw/zinc/96/72/12/642967212.db2.gz VXXWVYPSSZURKJ-GFCCVEGCSA-N 0 3 284.762 2.647 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000876676145 642968483 /nfs/dbraw/zinc/96/84/83/642968483.db2.gz SPCXRHBPMUOLQW-QMTHXVAHSA-N 0 3 296.773 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC000876676789 642969573 /nfs/dbraw/zinc/96/95/73/642969573.db2.gz XYCMVJPOQSZUAK-GFCCVEGCSA-N 0 3 294.782 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000876682333 642970744 /nfs/dbraw/zinc/97/07/44/642970744.db2.gz IIAZGTBZVWXRKS-AVGNSLFASA-N 0 3 270.804 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1cc(C)cc(C)c1 ZINC000876686398 642972927 /nfs/dbraw/zinc/97/29/27/642972927.db2.gz WWTFAHCALYIKFZ-UKRRQHHQSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1cc(C)cc(C)c1 ZINC000876686396 642973041 /nfs/dbraw/zinc/97/30/41/642973041.db2.gz WWTFAHCALYIKFZ-DZGCQCFKSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000876688977 642973991 /nfs/dbraw/zinc/97/39/91/642973991.db2.gz YHMAMYPTUONFIX-ZBFHGGJFSA-N 0 3 292.810 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000876688074 642974029 /nfs/dbraw/zinc/97/40/29/642974029.db2.gz PYDPEHAUUPGRKF-YUELXQCFSA-N 0 3 292.810 2.861 20 30 CFEDHN C#CCCCCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000876762167 642998790 /nfs/dbraw/zinc/99/87/90/642998790.db2.gz ASEZUUPBCWXBKF-GFCCVEGCSA-N 0 3 263.303 2.569 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cccc1F ZINC000876880858 643048920 /nfs/dbraw/zinc/04/89/20/643048920.db2.gz OCKGTIBLZUWVDJ-JTQLQIEISA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ncc(CCC)s1 ZINC000876882645 643050148 /nfs/dbraw/zinc/05/01/48/643050148.db2.gz NGAXNBCDEZMDTQ-VIFPVBQESA-N 0 3 273.789 2.504 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000876949189 643076461 /nfs/dbraw/zinc/07/64/61/643076461.db2.gz UJIUSLTUGIQZLS-ABAIWWIYSA-N 0 3 292.810 2.645 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(F)cc1C ZINC000876959234 643082621 /nfs/dbraw/zinc/08/26/21/643082621.db2.gz QMFBYWKGHUJVHX-SMDDNHRTSA-N 0 3 298.789 2.651 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000876971123 643088750 /nfs/dbraw/zinc/08/87/50/643088750.db2.gz MAKNQWLKBBGJBD-WCFLWFBJSA-N 0 3 299.201 2.782 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H]1CCc2ccccc21 ZINC000876976836 643090714 /nfs/dbraw/zinc/09/07/14/643090714.db2.gz RGAHLASZZNSIBE-HIFRSBDPSA-N 0 3 292.810 2.645 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1CC(C)C ZINC000876990033 643095329 /nfs/dbraw/zinc/09/53/29/643095329.db2.gz NWGLSEWSCGJMPF-HNNXBMFYSA-N 0 3 294.826 2.971 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1C ZINC000877085650 643144703 /nfs/dbraw/zinc/14/47/03/643144703.db2.gz VSTPQKXHGWPOTG-AWEZNQCLSA-N 0 3 289.379 2.744 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N(C)CCC ZINC000877088588 643145343 /nfs/dbraw/zinc/14/53/43/643145343.db2.gz AUGBVDJZAXZFBG-GFCCVEGCSA-N 0 3 295.814 2.941 20 30 CFEDHN CO[C@@H]1CCC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877132153 643169590 /nfs/dbraw/zinc/16/95/90/643169590.db2.gz WHLQTYWVFGJJHM-DGCLKSJQSA-N 0 3 279.771 2.511 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CCCCO2)c1 ZINC000877185804 643194327 /nfs/dbraw/zinc/19/43/27/643194327.db2.gz HNAZRNJSJLXMPI-ZDUSSCGKSA-N 0 3 279.771 2.655 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCCCO2)c1 ZINC000877185803 643194465 /nfs/dbraw/zinc/19/44/65/643194465.db2.gz HNAZRNJSJLXMPI-CYBMUJFWSA-N 0 3 279.771 2.655 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1ccc(F)c(C)c1 ZINC000877453526 643276572 /nfs/dbraw/zinc/27/65/72/643276572.db2.gz ATDWRBSXVYPJDX-AWEZNQCLSA-N 0 3 277.343 2.508 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)[C@@H](N)CCCC#N)C1 ZINC000877455700 643277483 /nfs/dbraw/zinc/27/74/83/643277483.db2.gz KKRYZUWXBGIRNR-DVOMOZLQSA-N 0 3 279.428 2.729 20 30 CFEDHN CCC[C@@H](NCc1cccc(C#N)n1)[C@H](O)c1ccccc1 ZINC000877488251 643303287 /nfs/dbraw/zinc/30/32/87/643303287.db2.gz DBRDMEXEVNHXTN-QZTJIDSGSA-N 0 3 295.386 2.945 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CCCSC2)c1 ZINC000877533234 643336025 /nfs/dbraw/zinc/33/60/25/643336025.db2.gz NKUNGOVPZHCZBC-SNVBAGLBSA-N 0 3 281.812 2.839 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@H]2COc3ccccc32)c1 ZINC000877536787 643339471 /nfs/dbraw/zinc/33/94/71/643339471.db2.gz CINZHYQCWFWEIX-ZDUSSCGKSA-N 0 3 299.761 2.872 20 30 CFEDHN C#C[C@H](N[C@@H](C)C[C@H]1CCCC(=O)N1)c1ccc(F)cc1 ZINC000877544285 643346358 /nfs/dbraw/zinc/34/63/58/643346358.db2.gz NSHHEMGBSFMWBR-MAZHCROVSA-N 0 3 288.366 2.537 20 30 CFEDHN C#CCCCCCCN[C@@H](c1nccn1C)C(C)(C)CO ZINC000877562444 643361625 /nfs/dbraw/zinc/36/16/25/643361625.db2.gz SPWXSBYOFXDLNJ-HNNXBMFYSA-N 0 3 291.439 2.653 20 30 CFEDHN C[C@@]1(CNCc2cccc(C#N)n2)CC1(Cl)Cl ZINC000877564429 643364509 /nfs/dbraw/zinc/36/45/09/643364509.db2.gz AIDCOYMXERALLH-NSHDSACASA-N 0 3 270.163 2.627 20 30 CFEDHN C[C@H](Cc1ccccn1)NCc1cc(C#N)cnc1Cl ZINC000877618459 643404836 /nfs/dbraw/zinc/40/48/36/643404836.db2.gz VKXMHLXFQAMJTN-LLVKDONJSA-N 0 3 286.766 2.722 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000877621494 643407833 /nfs/dbraw/zinc/40/78/33/643407833.db2.gz RWFBDPWLBYENLO-YOEHRIQHSA-N 0 3 269.392 2.999 20 30 CFEDHN C[C@]1(CNCc2cc(C#N)cnc2Cl)CC1(F)F ZINC000877630555 643415367 /nfs/dbraw/zinc/41/53/67/643415367.db2.gz KZJNWIQSQHXTQN-LLVKDONJSA-N 0 3 271.698 2.742 20 30 CFEDHN CC1CCC(O)(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877644087 643428421 /nfs/dbraw/zinc/42/84/21/643428421.db2.gz QIKYIURCGVQNCF-UHFFFAOYSA-N 0 3 293.798 2.637 20 30 CFEDHN CC(=O)Nc1cccc2c1CN(C[C@@H](C)CCC#N)CC2 ZINC000877680927 643450136 /nfs/dbraw/zinc/45/01/36/643450136.db2.gz BBJOBEQQEGXLDT-ZDUSSCGKSA-N 0 3 285.391 2.943 20 30 CFEDHN Cc1ncc(CNC2CCN(c3ccccc3C#N)CC2)o1 ZINC000877683132 643452254 /nfs/dbraw/zinc/45/22/54/643452254.db2.gz YTLSFVLBZJABFI-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN COc1ccc(CN2CC[C@@H]3CSC[C@H]3C2)cc1C#N ZINC000877741994 643513700 /nfs/dbraw/zinc/51/37/00/643513700.db2.gz XCWNJLJGEMCQSA-UKRRQHHQSA-N 0 3 288.416 2.752 20 30 CFEDHN C[C@@H](CCC#N)CNCc1ncc(Br)s1 ZINC000877767040 643545233 /nfs/dbraw/zinc/54/52/33/643545233.db2.gz UCZAVYBLRYCVSE-QMMMGPOBSA-N 0 3 288.214 2.935 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000877796326 643562756 /nfs/dbraw/zinc/56/27/56/643562756.db2.gz CZKHANYNARLADG-GFCCVEGCSA-N 0 3 264.394 2.603 20 30 CFEDHN COc1cc(CN2CCC[C@@H](C(C)(C)O)C2)ccc1C#N ZINC000877797075 643565022 /nfs/dbraw/zinc/56/50/22/643565022.db2.gz PRSWAVZHODHZCE-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CC(C)(C)CCCNCc1cc(C(=O)OCC)no1 ZINC000877804518 643566126 /nfs/dbraw/zinc/56/61/26/643566126.db2.gz YWPPWGAHXGEXBZ-UHFFFAOYSA-N 0 3 280.368 2.933 20 30 CFEDHN C[C@H](CCC#N)CN1CCO[C@@H](C(F)(F)F)CC1 ZINC000877819716 643585667 /nfs/dbraw/zinc/58/56/67/643585667.db2.gz IYBVFLUUAJKDBJ-GHMZBOCLSA-N 0 3 264.291 2.579 20 30 CFEDHN CC[C@H](NCc1cccc(C#N)n1)[C@H](O)c1ccccc1 ZINC000877832769 643598057 /nfs/dbraw/zinc/59/80/57/643598057.db2.gz QQLMWANVLPQADH-DLBZAZTESA-N 0 3 281.359 2.555 20 30 CFEDHN CC[C@@H](NCc1cccc(C#N)n1)[C@@H](O)c1ccccc1 ZINC000877832772 643598555 /nfs/dbraw/zinc/59/85/55/643598555.db2.gz QQLMWANVLPQADH-SJORKVTESA-N 0 3 281.359 2.555 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000878032439 643702276 /nfs/dbraw/zinc/70/22/76/643702276.db2.gz PXEQCHJHLQKZCK-ZDUSSCGKSA-N 0 3 293.411 2.527 20 30 CFEDHN C#CCCCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000878265288 643813590 /nfs/dbraw/zinc/81/35/90/643813590.db2.gz NLLFBDZNFDKVFD-MRXNPFEDSA-N 0 3 292.810 2.824 20 30 CFEDHN CC(C)N1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000127015397 643820883 /nfs/dbraw/zinc/82/08/83/643820883.db2.gz YVDQLIODBUTISD-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CC4(CCC4)C3)CC2)cn1 ZINC000878529613 643929943 /nfs/dbraw/zinc/92/99/43/643929943.db2.gz JSZFMAFYLJIITO-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000878661043 643980992 /nfs/dbraw/zinc/98/09/92/643980992.db2.gz UTWMEUDOHNCCQB-KEYYUXOJSA-N 0 3 272.392 2.644 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)ccn1 ZINC000879244851 644190644 /nfs/dbraw/zinc/19/06/44/644190644.db2.gz UANFAARGGRACDI-MSOLQXFVSA-N 0 3 293.370 2.651 20 30 CFEDHN Cc1cnc([C@H](C)N(C)CCc2cccc(C#N)c2)cn1 ZINC000879432121 644269297 /nfs/dbraw/zinc/26/92/97/644269297.db2.gz CMVITXWXKHQSKK-AWEZNQCLSA-N 0 3 280.375 2.892 20 30 CFEDHN COc1cccc([C@@H]2CN(CCC(C)(C)C#N)CCN2)c1 ZINC000879522290 644301560 /nfs/dbraw/zinc/30/15/60/644301560.db2.gz HIVYCQSWPLIWOR-INIZCTEOSA-N 0 3 287.407 2.581 20 30 CFEDHN C=CCN[C@H](COC)c1cccc(Br)c1 ZINC000879662123 644370159 /nfs/dbraw/zinc/37/01/59/644370159.db2.gz RFGIEBLHTZOXGY-GFCCVEGCSA-N 0 3 270.170 2.912 20 30 CFEDHN N#CCCCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690120 644382829 /nfs/dbraw/zinc/38/28/29/644382829.db2.gz ICCCXIDIGFYJBC-HNNXBMFYSA-N 0 3 270.380 2.560 20 30 CFEDHN C=C(C)CCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879692468 644384614 /nfs/dbraw/zinc/38/46/14/644384614.db2.gz WNIVDMNDQYEFQU-HNNXBMFYSA-N 0 3 257.381 2.832 20 30 CFEDHN C=CCN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221791 644587364 /nfs/dbraw/zinc/58/73/64/644587364.db2.gz RXNQPIXPPNPIDC-BETUJISGSA-N 0 3 282.181 2.575 20 30 CFEDHN C=CCOCCN1CCN([C@H](C)c2ccccc2)CC1 ZINC000880249156 644611918 /nfs/dbraw/zinc/61/19/18/644611918.db2.gz ADDSOESEEIIGHL-MRXNPFEDSA-N 0 3 274.408 2.568 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@H](c3nccs3)C2)cc1 ZINC000880316060 644649148 /nfs/dbraw/zinc/64/91/48/644649148.db2.gz YPUDANQKIPOMPT-AWEZNQCLSA-N 0 3 299.399 2.883 20 30 CFEDHN CCO[C@@H]1C[C@@H](NC[C@H](C)C#N)C12CCCCC2 ZINC000250529188 650975057 /nfs/dbraw/zinc/97/50/57/650975057.db2.gz RLBXISSFRSJRGG-MGPQQGTHSA-N 0 3 250.386 2.864 20 30 CFEDHN Cc1nc(C#N)cc(NC[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000881829490 645136209 /nfs/dbraw/zinc/13/62/09/645136209.db2.gz XXXMNLULKGYSPX-OAHLLOKOSA-N 0 3 299.353 2.511 20 30 CFEDHN C=C(C)C[C@@H](CO)Nc1ccnc2cc(OC)ccc21 ZINC000883006484 645559132 /nfs/dbraw/zinc/55/91/32/645559132.db2.gz SWIONOSBGLUKMT-LBPRGKRZSA-N 0 3 272.348 2.982 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc(C(C)C)c[nH]1 ZINC000883109914 645607665 /nfs/dbraw/zinc/60/76/65/645607665.db2.gz IWFLWDUOFFNYMO-DOMZBBRYSA-N 0 3 263.385 2.604 20 30 CFEDHN C#CC[C@@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000883123901 645613576 /nfs/dbraw/zinc/61/35/76/645613576.db2.gz OQVJHIPKODIXIG-AWEZNQCLSA-N 0 3 257.333 2.523 20 30 CFEDHN C=CCC[C@H](NCc1cccnc1OC)[C@@H]1CCCO1 ZINC000883171231 645638216 /nfs/dbraw/zinc/63/82/16/645638216.db2.gz RXIRKEWZDRXERZ-GJZGRUSLSA-N 0 3 276.380 2.694 20 30 CFEDHN C=CCC[C@@H](NCc1ncccc1N(C)C)[C@H]1CCCO1 ZINC000883223108 645674084 /nfs/dbraw/zinc/67/40/84/645674084.db2.gz IFPISZDHROCALA-RHSMWYFYSA-N 0 3 289.423 2.751 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2C[C@@H]3CCCC[C@H]23)nn1 ZINC000883319601 645737115 /nfs/dbraw/zinc/73/71/15/645737115.db2.gz JEYDZJXDFNMQSZ-AEGPPILISA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(OC)c(F)c1 ZINC000305043369 651042139 /nfs/dbraw/zinc/04/21/39/651042139.db2.gz AEPXHRAWSBXOCD-CYBMUJFWSA-N 0 3 267.344 2.593 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000883390293 645788766 /nfs/dbraw/zinc/78/87/66/645788766.db2.gz JBTAVABSMAYCSB-VXGBXAGGSA-N 0 3 297.370 2.821 20 30 CFEDHN C[C@@H]1CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@@H](C)CN1 ZINC000883585291 645899155 /nfs/dbraw/zinc/89/91/55/645899155.db2.gz LDYNHOVYXOHHIR-NEPJUHHUSA-N 0 3 298.390 2.650 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885967549 646788356 /nfs/dbraw/zinc/78/83/56/646788356.db2.gz RYIKREABHDSFHH-DOTOQJQBSA-N 0 3 273.351 2.688 20 30 CFEDHN CC(C)(C)CN(CCC#N)C[C@H]1C[C@]12CCOC2 ZINC000886016483 646818403 /nfs/dbraw/zinc/81/84/03/646818403.db2.gz FZQKNYKBQMNXGR-HIFRSBDPSA-N 0 3 250.386 2.675 20 30 CFEDHN CC(C)CCN(CCC#N)C[C@H]1C[C@@]12CCOC2 ZINC000886030908 646829792 /nfs/dbraw/zinc/82/97/92/646829792.db2.gz XJPIOVNAXGNZKZ-HUUCEWRRSA-N 0 3 250.386 2.675 20 30 CFEDHN N#CC1(C[C@H](O)CN2CC[C@H]2c2ccccc2)CCC1 ZINC000886032804 646831303 /nfs/dbraw/zinc/83/13/03/646831303.db2.gz OOSPUAGHHCKAOM-HOTGVXAUSA-N 0 3 270.376 2.878 20 30 CFEDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)n1 ZINC000886043951 646838412 /nfs/dbraw/zinc/83/84/12/646838412.db2.gz NGROESHWRHUMFK-WBVHZDCISA-N 0 3 299.418 2.972 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886090047 646862472 /nfs/dbraw/zinc/86/24/72/646862472.db2.gz OSWDTLCMKGAJBE-IXDOHACOSA-N 0 3 275.440 2.588 20 30 CFEDHN C[C@@H](c1ccccn1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886092289 646864066 /nfs/dbraw/zinc/86/40/66/646864066.db2.gz SVOHGYJKOBVTAM-UONOGXRCSA-N 0 3 273.380 2.519 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000886354097 646982828 /nfs/dbraw/zinc/98/28/28/646982828.db2.gz VXJZADYJYNDLST-GFCCVEGCSA-N 0 3 275.323 2.537 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353409 646983145 /nfs/dbraw/zinc/98/31/45/646983145.db2.gz IPJCEAFHKDZPBU-HUUCEWRRSA-N 0 3 270.376 2.667 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353407 646983521 /nfs/dbraw/zinc/98/35/21/646983521.db2.gz IPJCEAFHKDZPBU-CABCVRRESA-N 0 3 270.376 2.667 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000886545888 647042180 /nfs/dbraw/zinc/04/21/80/647042180.db2.gz UVFRBSHGYYUHGD-QGZVFWFLSA-N 0 3 298.390 2.809 20 30 CFEDHN C#CCN(C(=O)[C@H]1CCCC2(CC2)C1)C1CCN(C)CC1 ZINC000886573439 647051597 /nfs/dbraw/zinc/05/15/97/647051597.db2.gz IVXOHELWTRGFFL-HNNXBMFYSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C(=O)[C@H](CC)CC(C)C)C1CCN(C)CC1 ZINC000886574627 647051605 /nfs/dbraw/zinc/05/16/05/647051605.db2.gz MTDDWNOQWKWZNJ-OAHLLOKOSA-N 0 3 278.440 2.615 20 30 CFEDHN COc1cc(CN[C@H](c2cnn(C)c2)C(C)C)ccc1C#N ZINC000886612076 647067039 /nfs/dbraw/zinc/06/70/39/647067039.db2.gz BCEVCEHOSOKUHQ-KRWDZBQOSA-N 0 3 298.390 2.787 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(CC#N)cc1)c1cnn(C)c1 ZINC000886629921 647077250 /nfs/dbraw/zinc/07/72/50/647077250.db2.gz QPZQKYZXNUCSHS-QGZVFWFLSA-N 0 3 282.391 2.973 20 30 CFEDHN OC[C@]12CCC[C@H]1N(CC#Cc1cccc(Cl)c1)CC2 ZINC000886631131 647077934 /nfs/dbraw/zinc/07/79/34/647077934.db2.gz DDUDUMPCWOALEJ-IAGOWNOFSA-N 0 3 289.806 2.928 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H](c2ncccn2)C1 ZINC000886686427 647110320 /nfs/dbraw/zinc/11/03/20/647110320.db2.gz PQOGZFRRRLJNPB-CYBMUJFWSA-N 0 3 258.369 2.596 20 30 CFEDHN C#CCNC(=O)CN[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000007804588 647868994 /nfs/dbraw/zinc/86/89/94/647868994.db2.gz GTMPWTWEFAYOIV-SFHVURJKSA-N 0 3 286.419 2.846 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)C1(Br)CC1 ZINC000924638275 648014922 /nfs/dbraw/zinc/01/49/22/648014922.db2.gz ARAZRUIGYYFMJQ-JTQLQIEISA-N 0 3 279.181 2.964 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)C1(Br)CC1 ZINC000924701945 648029036 /nfs/dbraw/zinc/02/90/36/648029036.db2.gz UKNQCNMEMQMCBV-SNVBAGLBSA-N 0 3 279.181 2.964 20 30 CFEDHN C=CCSCCN[C@H](C)c1cc(OC)ccn1 ZINC000925354246 648157610 /nfs/dbraw/zinc/15/76/10/648157610.db2.gz VSCRFDXGBUWYHS-LLVKDONJSA-N 0 3 252.383 2.660 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)N1CCc2sc(CN)nc2C1 ZINC000925751996 648308254 /nfs/dbraw/zinc/30/82/54/648308254.db2.gz SUWQROPNJSVDJU-GHMZBOCLSA-N 0 3 265.426 2.561 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N2CCOc3ccc(N)cc3C2)C1 ZINC000925755152 648310416 /nfs/dbraw/zinc/31/04/16/648310416.db2.gz SRMRFNXZMYOUHI-SWLSCSKDSA-N 0 3 271.364 2.546 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCOC23CCCCC3)nc1 ZINC000926228960 648441903 /nfs/dbraw/zinc/44/19/03/648441903.db2.gz RTVAPNUUDBWALP-OAHLLOKOSA-N 0 3 271.364 2.535 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H]1CCCc2oc(C)nc21 ZINC000926344413 648468133 /nfs/dbraw/zinc/46/81/33/648468133.db2.gz WKGRMJYWCKBZOQ-XEZPLFJOSA-N 0 3 276.380 2.931 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccnn1C1CCC1 ZINC000926525072 648519440 /nfs/dbraw/zinc/51/94/40/648519440.db2.gz IHWDKAYACWSHQV-KYOSRNDESA-N 0 3 261.369 2.602 20 30 CFEDHN C=CCOCCC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926705405 648584157 /nfs/dbraw/zinc/58/41/57/648584157.db2.gz UWYORPVOQKIVLK-LLVKDONJSA-N 0 3 253.317 2.775 20 30 CFEDHN C=CCC[C@H](NCC(C)(C)CS(C)(=O)=O)c1ccco1 ZINC000926954129 648670099 /nfs/dbraw/zinc/67/00/99/648670099.db2.gz BJBMKLCAHCEQRX-ZDUSSCGKSA-N 0 3 299.436 2.947 20 30 CFEDHN C=CCC[C@H](NCc1cc(C2CC2)n(C)n1)[C@@H]1CCCO1 ZINC000927109548 648715339 /nfs/dbraw/zinc/71/53/39/648715339.db2.gz PXORMDZSYWSCMQ-RDJZCZTQSA-N 0 3 289.423 2.901 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CCC#N)cc1 ZINC000928403642 648907744 /nfs/dbraw/zinc/90/77/44/648907744.db2.gz DERDYHRUYOUSOV-OKILXGFUSA-N 0 3 285.391 2.954 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928405347 648908349 /nfs/dbraw/zinc/90/83/49/648908349.db2.gz AYGQBVXJSSUCGE-INIZCTEOSA-N 0 3 285.391 2.956 20 30 CFEDHN COCCN(CCc1ccccc1)Cc1cncc(C#N)c1 ZINC000929391929 649043795 /nfs/dbraw/zinc/04/37/95/649043795.db2.gz JNTRSJKNINUMHM-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN CCN(CCC(=O)OC)Cc1cc(Cl)cc(C#N)c1 ZINC000929418676 649047164 /nfs/dbraw/zinc/04/71/64/649047164.db2.gz KLOCJSRXZBTGSO-UHFFFAOYSA-N 0 3 280.755 2.597 20 30 CFEDHN N#CC1CCC(CN2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000930168817 649196268 /nfs/dbraw/zinc/19/62/68/649196268.db2.gz RVDLNWSVDLBWFM-JXQTWKCFSA-N 0 3 258.369 2.877 20 30 CFEDHN COC(=O)/C=C(\C)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000930763977 649322474 /nfs/dbraw/zinc/32/24/74/649322474.db2.gz IIIFTBDEQWBVSU-RPHSKFLZSA-N 0 3 272.348 2.670 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000930817205 649327270 /nfs/dbraw/zinc/32/72/70/649327270.db2.gz SQZGNYBBEILQFO-WDEREUQCSA-N 0 3 299.283 2.670 20 30 CFEDHN C#CC1(O)CCN([C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000931144789 649386700 /nfs/dbraw/zinc/38/67/00/649386700.db2.gz FETGFRHUGIPYEV-LBPRGKRZSA-N 0 3 295.329 2.809 20 30 CFEDHN N#Cc1cncc(CN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000931373711 649417012 /nfs/dbraw/zinc/41/70/12/649417012.db2.gz DUFBQFKVEFWFRX-SJORKVTESA-N 0 3 279.343 2.573 20 30 CFEDHN C[C@@H]1C[C@H](CN(C)[C@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000931476173 649438299 /nfs/dbraw/zinc/43/82/99/649438299.db2.gz NQBYEOKRXDJLEF-FQKPHLNHSA-N 0 3 250.386 2.814 20 30 CFEDHN Cc1nc(C)c(CN(C)CCc2cccc(C#N)c2)[nH]1 ZINC000931509471 649443546 /nfs/dbraw/zinc/44/35/46/649443546.db2.gz PFRIZMWIPKLRQU-UHFFFAOYSA-N 0 3 268.364 2.573 20 30 CFEDHN N#CC1(CCN2CCc3nccc(N)c3C2)CCCCC1 ZINC000931515407 649445281 /nfs/dbraw/zinc/44/52/81/649445281.db2.gz DJVFDQLTRONUKX-UHFFFAOYSA-N 0 3 284.407 2.886 20 30 CFEDHN CC(C)CCN(CCC#N)C(=O)[C@H]1CCCN1C(C)C ZINC000931940140 649516804 /nfs/dbraw/zinc/51/68/04/649516804.db2.gz GEOQLCYXFQYGML-OAHLLOKOSA-N 0 3 279.428 2.648 20 30 CFEDHN C#CCN(Cc1ccc(OCc2nccn2C)cc1)C(C)C ZINC000932388946 649591477 /nfs/dbraw/zinc/59/14/77/649591477.db2.gz AVTXEPZMXBEIPZ-UHFFFAOYSA-N 0 3 297.402 2.843 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccccc1Br)C(C)C ZINC000932388910 649591488 /nfs/dbraw/zinc/59/14/88/649591488.db2.gz ZRFBWYKQDXJXGM-CQSZACIVSA-N 0 3 296.208 2.826 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc(F)c(F)c1)C(C)(C)C ZINC000932464110 649605891 /nfs/dbraw/zinc/60/58/91/649605891.db2.gz MAMFPIMZWUNGRY-CQSZACIVSA-N 0 3 267.319 2.732 20 30 CFEDHN C[C@H]1COC[C@H]1NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000932490671 649609755 /nfs/dbraw/zinc/60/97/55/649609755.db2.gz YCXBUWOHELTHFN-SMDDNHRTSA-N 0 3 299.292 2.561 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619282 649629553 /nfs/dbraw/zinc/62/95/53/649629553.db2.gz KERHNPNQBQJHDZ-CQSZACIVSA-N 0 3 292.448 2.748 20 30 CFEDHN C#CCC1(NCc2cccnc2[N+](=O)[O-])CCCCC1 ZINC000933264678 649683959 /nfs/dbraw/zinc/68/39/59/649683959.db2.gz ZGBQXPGHZJZNKR-UHFFFAOYSA-N 0 3 273.336 2.806 20 30 CFEDHN CCC1(CC)CNC(=O)[C@@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000933286455 649685166 /nfs/dbraw/zinc/68/51/66/649685166.db2.gz BEXXSZKXFMLXLD-DOMZBBRYSA-N 0 3 285.391 2.514 20 30 CFEDHN CN(C[C@H]1CCN1C(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000933463958 649694904 /nfs/dbraw/zinc/69/49/04/649694904.db2.gz BHMMHHPVPMSMQB-CYBMUJFWSA-N 0 3 293.411 2.621 20 30 CFEDHN N#CCCOCCN1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933657829 649711433 /nfs/dbraw/zinc/71/14/33/649711433.db2.gz XPSHTPMXLOGXQW-GOSISDBHSA-N 0 3 298.386 2.857 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933667734 649712320 /nfs/dbraw/zinc/71/23/20/649712320.db2.gz QHFNWLPTLSNPEI-CVEARBPZSA-N 0 3 294.439 2.834 20 30 CFEDHN COc1ccccc1N1CCCN(CCCC#N)CC1 ZINC000934171563 649757117 /nfs/dbraw/zinc/75/71/17/649757117.db2.gz DISOKVWBVHZECI-UHFFFAOYSA-N 0 3 273.380 2.511 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCN1c1ccccc1 ZINC000934323452 649774199 /nfs/dbraw/zinc/77/41/99/649774199.db2.gz YWETYQNCZMXDEV-BFYDXBDKSA-N 0 3 269.392 2.889 20 30 CFEDHN C[C@]12CSC[C@H]1CN(CC#Cc1ccc(F)cc1)C2 ZINC000934771652 649828545 /nfs/dbraw/zinc/82/85/45/649828545.db2.gz VOJYJTBNSKVBGR-ZBFHGGJFSA-N 0 3 275.392 2.862 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001017469546 651081666 /nfs/dbraw/zinc/08/16/66/651081666.db2.gz BVKQCSBARPKNGP-IYBDPMFKSA-N 0 3 274.408 2.738 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007611786 651137243 /nfs/dbraw/zinc/13/72/43/651137243.db2.gz SZQHBBVVELNRHQ-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001007967951 651140657 /nfs/dbraw/zinc/14/06/57/651140657.db2.gz KUKLJDNPWNWILJ-CYBMUJFWSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001008241347 651145099 /nfs/dbraw/zinc/14/50/99/651145099.db2.gz NEXWSALGJJKSIQ-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008391719 651147309 /nfs/dbraw/zinc/14/73/09/651147309.db2.gz DDDNOYZGGGWFPO-HNNXBMFYSA-N 0 3 276.424 2.561 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001008599084 651150824 /nfs/dbraw/zinc/15/08/24/651150824.db2.gz QUPNYCVGQSMPOG-HNNXBMFYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC001008871939 651154191 /nfs/dbraw/zinc/15/41/91/651154191.db2.gz VMEZJRDUZKNHCL-CQSZACIVSA-N 0 3 293.798 2.505 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccccc2F)C1 ZINC001009381349 651160332 /nfs/dbraw/zinc/16/03/32/651160332.db2.gz DGTXJGZMLBCJEO-HNNXBMFYSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001009453921 651160847 /nfs/dbraw/zinc/16/08/47/651160847.db2.gz JWXWFGMIUVXVHJ-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009655274 651163721 /nfs/dbraw/zinc/16/37/21/651163721.db2.gz DDLHLWMNOJXBAK-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001014659437 651190113 /nfs/dbraw/zinc/19/01/13/651190113.db2.gz NLJDPAGHLCJQNN-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN 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775137791 /nfs/dbraw/zinc/13/77/91/775137791.db2.gz SHXVLKSIHOECBL-MRXNPFEDSA-N 0 3 255.365 2.965 20 30 CFEDHN CC#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042075272 775161968 /nfs/dbraw/zinc/16/19/68/775161968.db2.gz BLROYEGWNFMNQR-JKSUJKDBSA-N 0 3 290.451 2.615 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001224418135 775180588 /nfs/dbraw/zinc/18/05/88/775180588.db2.gz HCQXGORKFSRMAQ-CRAIPNDOSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)CC1=CCCCC1 ZINC001267312040 775187375 /nfs/dbraw/zinc/18/73/75/775187375.db2.gz NJNCQOHAXKFKTF-UHFFFAOYSA-N 0 3 276.424 2.728 20 30 CFEDHN C#CCN(CCC)CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001267320538 775201888 /nfs/dbraw/zinc/20/18/88/775201888.db2.gz NPBKPEIWVWEFOF-SFHVURJKSA-N 0 3 290.451 2.974 20 30 CFEDHN C=CCCCO[C@H]1COCCN(Cc2ccccc2)C1 ZINC001224511195 775207096 /nfs/dbraw/zinc/20/70/96/775207096.db2.gz LSPUNZNHFBRQDV-QGZVFWFLSA-N 0 3 275.392 2.870 20 30 CFEDHN C=CCN(CCNC(=O)c1cccc(F)c1Cl)C1CC1 ZINC001267333573 775216280 /nfs/dbraw/zinc/21/62/80/775216280.db2.gz GFTVGENAXOCSQH-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C=CCN(CCNC(=O)c1cccc2c1CCC2)C1CC1 ZINC001267338319 775224243 /nfs/dbraw/zinc/22/42/43/775224243.db2.gz UKKRIQJXFANWSI-UHFFFAOYSA-N 0 3 284.403 2.556 20 30 CFEDHN CCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224617930 775227825 /nfs/dbraw/zinc/22/78/25/775227825.db2.gz YWYFIUROPVNCPG-NWANDNLSSA-N 0 3 253.386 2.778 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000693892295 775229966 /nfs/dbraw/zinc/22/99/66/775229966.db2.gz VFSZTSJAFZOANZ-MRVPVSSYSA-N 0 3 284.816 2.953 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001224632482 775232860 /nfs/dbraw/zinc/23/28/60/775232860.db2.gz GUXTYXNAXYZXFD-HNNXBMFYSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](F)CC)C[C@H]1C ZINC001104500533 775233674 /nfs/dbraw/zinc/23/36/74/775233674.db2.gz UCHJVPYBIXJJSV-RAIGVLPGSA-N 0 3 290.810 2.561 20 30 CFEDHN CN1CCCC[C@H]1CO[C@H](C#N)c1cccc(F)c1 ZINC001224707438 775255465 /nfs/dbraw/zinc/25/54/65/775255465.db2.gz RFKLWGZOGOPLKL-LSDHHAIUSA-N 0 3 262.328 2.891 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](F)CCCCCC)CC1 ZINC001225163473 775357761 /nfs/dbraw/zinc/35/77/61/775357761.db2.gz ZYYNTWNGZJSFGH-INIZCTEOSA-N 0 3 296.430 2.756 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042207010 775408877 /nfs/dbraw/zinc/40/88/77/775408877.db2.gz LKGIRDBZOPUFOQ-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN[C@@H](CNC(=O)CSC(C)C)c1ccccc1 ZINC001267517670 775410284 /nfs/dbraw/zinc/41/02/84/775410284.db2.gz SHCYVEZPFDCQFZ-HNNXBMFYSA-N 0 3 292.448 2.761 20 30 CFEDHN C=C(C)CN[C@H](CNC(=O)c1cccn1C)c1ccccc1 ZINC001267517445 775410298 /nfs/dbraw/zinc/41/02/98/775410298.db2.gz LYINSVCLVHWZBE-MRXNPFEDSA-N 0 3 297.402 2.662 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cccn2C)C1 ZINC001267537971 775444700 /nfs/dbraw/zinc/44/47/00/775444700.db2.gz FUDSYYBDRXZEAS-HNNXBMFYSA-N 0 3 289.423 2.528 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC1CC1 ZINC001225447567 775460276 /nfs/dbraw/zinc/46/02/76/775460276.db2.gz HWTAWECCHAFZGO-ZIAGYGMSSA-N 0 3 284.831 2.946 20 30 CFEDHN C=CC[C@H](C)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167696697 775512097 /nfs/dbraw/zinc/51/20/97/775512097.db2.gz VUBCLMQVOOJPTF-STQMWFEESA-N 0 3 268.401 2.892 20 30 CFEDHN C=CC[C@H](C)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167696696 775512275 /nfs/dbraw/zinc/51/22/75/775512275.db2.gz VUBCLMQVOOJPTF-QWHCGFSZSA-N 0 3 268.401 2.892 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001225590574 775515353 /nfs/dbraw/zinc/51/53/53/775515353.db2.gz ABSMLHDFBUQIPQ-KRWDZBQOSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2(C)CCC(C)CC2)CC1 ZINC001225611205 775521638 /nfs/dbraw/zinc/52/16/38/775521638.db2.gz LEUSVCDAPFETAH-UHFFFAOYSA-N 0 3 290.451 2.664 20 30 CFEDHN Cc1cccc(-n2nc(CN)c3ccccc32)c1C#N ZINC001167698195 775529902 /nfs/dbraw/zinc/52/99/02/775529902.db2.gz POBCOQLSVYLWGD-UHFFFAOYSA-N 0 3 262.316 2.664 20 30 CFEDHN N#Cc1cc2[nH]ccc2c(-n2nc(CN)c3ccccc32)c1 ZINC001167701761 775537733 /nfs/dbraw/zinc/53/77/33/775537733.db2.gz UXBRWIXMWKTFSH-UHFFFAOYSA-N 0 3 287.326 2.837 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1cccnc1C#N ZINC001225671198 775550290 /nfs/dbraw/zinc/55/02/90/775550290.db2.gz FDMFAAGDFXQHOH-KSSFIOAISA-N 0 3 293.370 2.853 20 30 CFEDHN C[C@H](Nc1ccc2c(n1)CNCC2)c1cccc(C#N)c1 ZINC001167707226 775575418 /nfs/dbraw/zinc/57/54/18/775575418.db2.gz KVHXAOHJKRXZFQ-LBPRGKRZSA-N 0 3 278.359 2.772 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025288896 775589007 /nfs/dbraw/zinc/58/90/07/775589007.db2.gz MDFLNHMKZRCLJK-HUUCEWRRSA-N 0 3 276.424 2.511 20 30 CFEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001025312012 775594180 /nfs/dbraw/zinc/59/41/80/775594180.db2.gz MQHIEXGTKNOCRO-RDJZCZTQSA-N 0 3 284.403 2.540 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C)C1 ZINC001025313721 775595282 /nfs/dbraw/zinc/59/52/82/775595282.db2.gz RUGXJCYVPKTVQB-DLBZAZTESA-N 0 3 298.430 2.849 20 30 CFEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001025328967 775606353 /nfs/dbraw/zinc/60/63/53/775606353.db2.gz LUCJOFYIUWEDLF-KGLIPLIRSA-N 0 3 290.432 2.602 20 30 CFEDHN C[C@H](CN(C)C(=O)C(C)(C)C)NCC#Cc1ccccc1 ZINC001283705008 775682110 /nfs/dbraw/zinc/68/21/10/775682110.db2.gz QYRLOZQLBUOEOH-OAHLLOKOSA-N 0 3 286.419 2.521 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC001025544701 775695398 /nfs/dbraw/zinc/69/53/98/775695398.db2.gz ZBFQIBIKHPJWCS-YJBOKZPZSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000328014490 775695522 /nfs/dbraw/zinc/69/55/22/775695522.db2.gz QXDQQJZUGGVXAX-UHFFFAOYSA-N 0 3 286.419 2.669 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562408 775697898 /nfs/dbraw/zinc/69/78/98/775697898.db2.gz SGKJNDVYQLZCHI-ZIAGYGMSSA-N 0 3 290.432 2.520 20 30 CFEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001267619140 775700065 /nfs/dbraw/zinc/70/00/65/775700065.db2.gz ZTQRZMOLLLFUEZ-ZIAGYGMSSA-N 0 3 270.392 2.529 20 30 CFEDHN [O-]/N=C/c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001226115201 775703129 /nfs/dbraw/zinc/70/31/29/775703129.db2.gz XZJSZWRLGYYWKZ-CPNJWEJPSA-N 0 3 297.358 2.938 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606403 775707444 /nfs/dbraw/zinc/70/74/44/775707444.db2.gz FOFFERWFXJKOLT-IAGOWNOFSA-N 0 3 298.430 2.767 20 30 CFEDHN C=CCCCCCN1CCC[C@H](NC(=O)c2ccon2)C1 ZINC001267622853 775707738 /nfs/dbraw/zinc/70/77/38/775707738.db2.gz RSCNGINYHQRXHE-AWEZNQCLSA-N 0 3 291.395 2.615 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001267632392 775719796 /nfs/dbraw/zinc/71/97/96/775719796.db2.gz OPNHGEGUQXMICR-HNNXBMFYSA-N 0 3 278.440 2.807 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001038047352 775729336 /nfs/dbraw/zinc/72/93/36/775729336.db2.gz DSRPMJFUBWPOTC-AWEZNQCLSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(C)n1c2ccccc2nc1OC1CCN(C)CC1 ZINC001226216394 775739512 /nfs/dbraw/zinc/73/95/12/775739512.db2.gz IXOSFCKSBKEANH-UHFFFAOYSA-N 0 3 271.364 3.000 20 30 CFEDHN CCN1CCC[C@@H](Oc2nc(C(C)C)ccc2C#N)C1 ZINC001226354312 775787486 /nfs/dbraw/zinc/78/74/86/775787486.db2.gz RJNXQLKACJLSHW-CQSZACIVSA-N 0 3 273.380 2.940 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN1CCC(C)C ZINC001038345960 775796145 /nfs/dbraw/zinc/79/61/45/775796145.db2.gz SKRBULUTFDRNDJ-OAHLLOKOSA-N 0 3 289.423 2.524 20 30 CFEDHN Cc1c(C#N)c(O[C@@H]2CCCN(C)C2)nc2ccccc12 ZINC001226444184 775824051 /nfs/dbraw/zinc/82/40/51/775824051.db2.gz FQRIGURPOJYCAE-CYBMUJFWSA-N 0 3 281.359 2.888 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)/C(C)=C/CC)C[C@H]1C(F)(F)F ZINC001112062245 775904369 /nfs/dbraw/zinc/90/43/69/775904369.db2.gz FHUWZYNNEVKMDV-QEFZOKHDSA-N 0 3 290.329 2.508 20 30 CFEDHN C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccnc(N)c2)O1 ZINC001226657450 775907699 /nfs/dbraw/zinc/90/76/99/775907699.db2.gz PXFSKQDITVUNFY-WFASDCNBSA-N 0 3 262.353 2.945 20 30 CFEDHN N#Cc1nc2ccc(O[C@H]3CN4CCC3CC4)cc2s1 ZINC001226671073 775913730 /nfs/dbraw/zinc/91/37/30/775913730.db2.gz DKTXDDCTTZQDOZ-ZDUSSCGKSA-N 0 3 285.372 2.641 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCC(F)(F)F)C1 ZINC001267785018 775927577 /nfs/dbraw/zinc/92/75/77/775927577.db2.gz MHXLYVPFZBQQIN-GFCCVEGCSA-N 0 3 292.345 2.828 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)CC(C)(C)C=C)C1 ZINC001267787001 775932052 /nfs/dbraw/zinc/93/20/52/775932052.db2.gz SZTRFJKXRSVPDM-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205572 776138097 /nfs/dbraw/zinc/13/80/97/776138097.db2.gz NOULTNYKMJETCE-GFCCVEGCSA-N 0 3 250.729 2.685 20 30 CFEDHN CC(C)=CCN1CCC(NC(=O)C#CC(C)(C)C)CC1 ZINC001227281144 776168919 /nfs/dbraw/zinc/16/89/19/776168919.db2.gz NNVKDRLYKNRETQ-UHFFFAOYSA-N 0 3 276.424 2.583 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCC(F)F ZINC001227534882 776223111 /nfs/dbraw/zinc/22/31/11/776223111.db2.gz GXBHARAWWSEJMD-GHMZBOCLSA-N 0 3 294.773 2.801 20 30 CFEDHN CCCCCCCN1CC2(C[C@H]2C(=O)Nc2cn[nH]c2)C1 ZINC001277225046 776242177 /nfs/dbraw/zinc/24/21/77/776242177.db2.gz QCCNVVIMCQKJBD-AWEZNQCLSA-N 0 3 290.411 2.641 20 30 CFEDHN CCCCCCCCN1CC2(C[C@H]2C(=O)N(C)C)C1 ZINC001277232200 776260963 /nfs/dbraw/zinc/26/09/63/776260963.db2.gz WKIWKHXMRWMRLD-AWEZNQCLSA-N 0 3 266.429 2.757 20 30 CFEDHN CC#CCNC1(CNC(=O)CCCC2CCCCC2)CC1 ZINC001277241023 776293022 /nfs/dbraw/zinc/29/30/22/776293022.db2.gz XSXHKEIZXCAYLK-UHFFFAOYSA-N 0 3 290.451 2.999 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2sc(C)cc2C)C1 ZINC001027430744 776319563 /nfs/dbraw/zinc/31/95/63/776319563.db2.gz YFHFHKZIYQTMHP-AWEZNQCLSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001027556182 776357798 /nfs/dbraw/zinc/35/77/98/776357798.db2.gz YYHALLXEYIMCEG-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN N#Cc1cc(F)c(OC2CCN(C3CC3)CC2)c(F)c1 ZINC001228077382 776386918 /nfs/dbraw/zinc/38/69/18/776386918.db2.gz XJRJNYFLWDADLJ-UHFFFAOYSA-N 0 3 278.302 2.842 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC001027671384 776403652 /nfs/dbraw/zinc/40/36/52/776403652.db2.gz URZBGOWRBJBDBR-WMZOPIPTSA-N 0 3 298.430 2.736 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC001027670772 776405055 /nfs/dbraw/zinc/40/50/55/776405055.db2.gz NBUNSFNIQVCWIX-NSHDSACASA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC001027698482 776412660 /nfs/dbraw/zinc/41/26/60/776412660.db2.gz KWXMBMUGBVGEJS-CQSZACIVSA-N 0 3 288.391 2.573 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001027728943 776430604 /nfs/dbraw/zinc/43/06/04/776430604.db2.gz LECDYFADOQALJZ-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1sccc1F ZINC001027868515 776484980 /nfs/dbraw/zinc/48/49/80/776484980.db2.gz NTMPLGNFPAJSML-LLVKDONJSA-N 0 3 282.384 2.658 20 30 CFEDHN C=CCc1cc(OC)c(OC2CCN(C)CC2)c(OC)c1 ZINC001228423552 776486358 /nfs/dbraw/zinc/48/63/58/776486358.db2.gz KYBYKKNIERXLMQ-UHFFFAOYSA-N 0 3 291.391 2.905 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001027933469 776517800 /nfs/dbraw/zinc/51/78/00/776517800.db2.gz WVZIITATFASPTH-ZDUSSCGKSA-N 0 3 294.345 2.735 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001027950870 776523453 /nfs/dbraw/zinc/52/34/53/776523453.db2.gz ILYJHHRZGQGAPF-LLVKDONJSA-N 0 3 296.823 2.619 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001028008682 776553866 /nfs/dbraw/zinc/55/38/66/776553866.db2.gz CWQOPKJCRCQNQT-CYBMUJFWSA-N 0 3 290.432 2.528 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001028008684 776553928 /nfs/dbraw/zinc/55/39/28/776553928.db2.gz CWQOPKJCRCQNQT-ZDUSSCGKSA-N 0 3 290.432 2.528 20 30 CFEDHN FC(F)(F)[C@H]1CC[C@H](CNCC#Cc2ccccc2)O1 ZINC000722381913 776564550 /nfs/dbraw/zinc/56/45/50/776564550.db2.gz BWXOKEHDGKKCCU-ZIAGYGMSSA-N 0 3 283.293 2.738 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001028096272 776615766 /nfs/dbraw/zinc/61/57/66/776615766.db2.gz XJIBURNRFSXIBI-CQSZACIVSA-N 0 3 288.391 2.621 20 30 CFEDHN CN1CCN(c2ccc(N[C@H]3CC[C@H](C#N)CC3)cc2)CC1 ZINC001167845102 776624006 /nfs/dbraw/zinc/62/40/06/776624006.db2.gz OBPZISYWSGMGOA-WKILWMFISA-N 0 3 298.434 2.933 20 30 CFEDHN C=CCc1ccccc1OCCN1CC[C@@H](OC)C1 ZINC001228845997 776631768 /nfs/dbraw/zinc/63/17/68/776631768.db2.gz HLVHFYYGOKLTJY-OAHLLOKOSA-N 0 3 261.365 2.515 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001028116329 776637114 /nfs/dbraw/zinc/63/71/14/776637114.db2.gz DOAWCYNRNHXSEW-YMAMQOFZSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001028135295 776651343 /nfs/dbraw/zinc/65/13/43/776651343.db2.gz PCIQMGFSRLNJBH-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146581 776659117 /nfs/dbraw/zinc/65/91/17/776659117.db2.gz JKYXZWYDFUXZEA-BZUAXINKSA-N 0 3 278.440 2.825 20 30 CFEDHN C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C#CC1CC1 ZINC001268237564 776715150 /nfs/dbraw/zinc/71/51/50/776715150.db2.gz LNNCPUBHJCDZOA-OAHLLOKOSA-N 0 3 284.403 2.551 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@]1(C)CCC[C@H]1CC ZINC001268240986 776716657 /nfs/dbraw/zinc/71/66/57/776716657.db2.gz SFZQWMNMXBXDLO-NVXWUHKLSA-N 0 3 278.440 2.616 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001268240388 776716952 /nfs/dbraw/zinc/71/69/52/776716952.db2.gz JUVBFOMFWRKOHG-INIZCTEOSA-N 0 3 276.424 2.536 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028245373 776746782 /nfs/dbraw/zinc/74/67/82/776746782.db2.gz RJCOCDROHQYSOI-QGZVFWFLSA-N 0 3 295.386 2.615 20 30 CFEDHN CN(C)CCC(=O)c1ccc(OC2CC(C#N)C2)cc1 ZINC001229302410 776773959 /nfs/dbraw/zinc/77/39/59/776773959.db2.gz JWLACEKYFJMWPP-UHFFFAOYSA-N 0 3 272.348 2.502 20 30 CFEDHN COCc1ccc(CN2CCC(S)CC2)s1 ZINC001139828453 776784857 /nfs/dbraw/zinc/78/48/57/776784857.db2.gz NBOXJILTVFZBHX-UHFFFAOYSA-N 0 3 257.424 2.789 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncccc1Cl ZINC001028274996 776785571 /nfs/dbraw/zinc/78/55/71/776785571.db2.gz OHOSOGFAWLXNNP-LBPRGKRZSA-N 0 3 293.798 2.505 20 30 CFEDHN O=C1C=C[C@@H](Oc2cccc(CN3CCCCC3)c2)C1 ZINC001229448073 776815869 /nfs/dbraw/zinc/81/58/69/776815869.db2.gz AOACBKNPPWEQRK-QGZVFWFLSA-N 0 3 271.360 2.949 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001028286023 776822022 /nfs/dbraw/zinc/82/20/22/776822022.db2.gz LVRVEWUMXVUGSX-HNNXBMFYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001028296777 776840827 /nfs/dbraw/zinc/84/08/27/776840827.db2.gz DVGSXGJTKPCEAK-CYBMUJFWSA-N 0 3 294.345 2.735 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028302409 776847445 /nfs/dbraw/zinc/84/74/45/776847445.db2.gz BCXRKSBLMGDHDY-OAHLLOKOSA-N 0 3 296.370 2.650 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339168 776862700 /nfs/dbraw/zinc/86/27/00/776862700.db2.gz PREJGANDIYACJD-KRWDZBQOSA-N 0 3 284.403 2.944 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001229737135 776883814 /nfs/dbraw/zinc/88/38/14/776883814.db2.gz QNXVTGJNRAPQGG-MLDYKZIASA-N 0 3 262.353 2.748 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229737135 776883819 /nfs/dbraw/zinc/88/38/19/776883819.db2.gz QNXVTGJNRAPQGG-MLDYKZIASA-N 0 3 262.353 2.748 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001229737134 776884119 /nfs/dbraw/zinc/88/41/19/776884119.db2.gz QNXVTGJNRAPQGG-HKJJFUAXSA-N 0 3 262.353 2.748 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001229737134 776884123 /nfs/dbraw/zinc/88/41/23/776884123.db2.gz QNXVTGJNRAPQGG-HKJJFUAXSA-N 0 3 262.353 2.748 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 ZINC001211754649 776884904 /nfs/dbraw/zinc/88/49/04/776884904.db2.gz GVRCNQKRNSDZSP-HZPDHXFCSA-N 0 3 296.455 2.572 20 30 CFEDHN C#CCNCCN(CC)C(=O)[C@H](C)CCC(C)(C)C ZINC001268490682 776890740 /nfs/dbraw/zinc/89/07/40/776890740.db2.gz GRRALFGTQYHCPN-CQSZACIVSA-N 0 3 266.429 2.520 20 30 CFEDHN CCN1CC[C@@H](Oc2cccc(Br)c2C#N)C1 ZINC001230322628 776980002 /nfs/dbraw/zinc/98/00/02/776980002.db2.gz YLHNZXJBARHCLC-SNVBAGLBSA-N 0 3 295.180 2.794 20 30 CFEDHN CC(C)[C@H](C)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001268597768 776993185 /nfs/dbraw/zinc/99/31/85/776993185.db2.gz JBBKORVZDRCLAK-RGDDUWESSA-N 0 3 299.418 2.612 20 30 CFEDHN CC#CCNC/C=C/CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001268633030 777003580 /nfs/dbraw/zinc/00/35/80/777003580.db2.gz LHOLUWPSHQDMMH-LKGOPFMKSA-N 0 3 288.435 2.798 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268663101 777014373 /nfs/dbraw/zinc/01/43/73/777014373.db2.gz FQWNXWZJAHJETL-MRXNPFEDSA-N 0 3 298.430 2.735 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001230621687 777028919 /nfs/dbraw/zinc/02/89/19/777028919.db2.gz QOPKCWUHUNAASN-CQSZACIVSA-N 0 3 290.382 2.938 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C)c(OC)c(C)c1 ZINC001268732274 777037176 /nfs/dbraw/zinc/03/71/76/777037176.db2.gz WWRUNTMBOJIICX-AWEZNQCLSA-N 0 3 290.407 2.548 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCO1 ZINC001230677388 777040309 /nfs/dbraw/zinc/04/03/09/777040309.db2.gz ZENQHTMXMXVWMO-CVEARBPZSA-N 0 3 296.455 2.669 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230780739 777062019 /nfs/dbraw/zinc/06/20/19/777062019.db2.gz DETYODFKCCFJHZ-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C#CCCN1CC(CNC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001268884076 777068917 /nfs/dbraw/zinc/06/89/17/777068917.db2.gz ZKCZQVBCORUEJD-KRWDZBQOSA-N 0 3 290.451 2.664 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001230823178 777071380 /nfs/dbraw/zinc/07/13/80/777071380.db2.gz FWWHZDXBFGDARB-AWEZNQCLSA-N 0 3 292.427 2.526 20 30 CFEDHN C=CCCCC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230829257 777072568 /nfs/dbraw/zinc/07/25/68/777072568.db2.gz BMXLYEOBOORAJY-UHFFFAOYSA-N 0 3 289.423 2.766 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CCCOC ZINC001230880694 777080737 /nfs/dbraw/zinc/08/07/37/777080737.db2.gz LAUSAZCLNXXERA-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001268969670 777080664 /nfs/dbraw/zinc/08/06/64/777080664.db2.gz GNDVBWPQKNNOBX-ILXRZTDVSA-N 0 3 294.414 2.766 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CCCOC ZINC001230880693 777081282 /nfs/dbraw/zinc/08/12/82/777081282.db2.gz LAUSAZCLNXXERA-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CCCC(C)C)C1 ZINC001269065832 777095318 /nfs/dbraw/zinc/09/53/18/777095318.db2.gz XUSXVSQENRBGEO-AWEZNQCLSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)CCO[C@H](C)CC(C)C)C1 ZINC001269126174 777107523 /nfs/dbraw/zinc/10/75/23/777107523.db2.gz BQNMCSLZXOUWKP-HZPDHXFCSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCC(C)C ZINC001230978621 777107906 /nfs/dbraw/zinc/10/79/06/777107906.db2.gz YZOPHNTWTBVKAU-HOTGVXAUSA-N 0 3 296.455 2.546 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001269177208 777129694 /nfs/dbraw/zinc/12/96/94/777129694.db2.gz ABSPNMYMTYTROI-HZPDHXFCSA-N 0 3 278.440 2.807 20 30 CFEDHN CCCCCCCN1CC[C@@H](NC(=O)c2nocc2C)C1 ZINC001269187530 777135730 /nfs/dbraw/zinc/13/57/30/777135730.db2.gz SAQUAZJZPDAEOH-CQSZACIVSA-N 0 3 293.411 2.758 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001269214977 777140194 /nfs/dbraw/zinc/14/01/94/777140194.db2.gz NABKLKNTJIFUBV-GDBMZVCRSA-N 0 3 287.407 2.549 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OC ZINC001231139162 777153654 /nfs/dbraw/zinc/15/36/54/777153654.db2.gz LZEICTIXISJNAO-HZPDHXFCSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCc1cccs1 ZINC001231178415 777167425 /nfs/dbraw/zinc/16/74/25/777167425.db2.gz KTMLRXGDBNZGFH-AWEZNQCLSA-N 0 3 292.448 2.790 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)Cc1sc(C)cc1C ZINC001269338865 777174487 /nfs/dbraw/zinc/17/44/87/777174487.db2.gz VHURSSCRDMOBPV-AWEZNQCLSA-N 0 3 292.448 2.674 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001269344540 777175153 /nfs/dbraw/zinc/17/51/53/777175153.db2.gz VRJRIVYJXIJDBU-HNNXBMFYSA-N 0 3 289.423 2.839 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001028711933 777183260 /nfs/dbraw/zinc/18/32/60/777183260.db2.gz BDFMYUHPVVTRKE-OAHLLOKOSA-N 0 3 296.414 2.557 20 30 CFEDHN C#CCN1CCC[C@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001269691620 777231858 /nfs/dbraw/zinc/23/18/58/777231858.db2.gz FAGVMUFXRUKARG-SFHVURJKSA-N 0 3 290.451 2.760 20 30 CFEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CCCC3CC3)C2)C1 ZINC001269738084 777238994 /nfs/dbraw/zinc/23/89/94/777238994.db2.gz YIDVZPFGATURHX-GOSISDBHSA-N 0 3 288.435 2.514 20 30 CFEDHN CC#CCCCC(=O)N(C)C1CN(CC(CC)CC)C1 ZINC001269840023 777256815 /nfs/dbraw/zinc/25/68/15/777256815.db2.gz VMAKIULCQKTZLK-UHFFFAOYSA-N 0 3 278.440 2.759 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@@H](CC(=O)OCC)C2)c1 ZINC001231655892 777294791 /nfs/dbraw/zinc/29/47/91/777294791.db2.gz CNHCVLHWIGZQNB-KRWDZBQOSA-N 0 3 285.387 2.833 20 30 CFEDHN C#Cc1cccc(CN(C)CCc2noc(C(C)C)n2)c1 ZINC001231657826 777295805 /nfs/dbraw/zinc/29/58/05/777295805.db2.gz MZYQNDACMFCAMV-UHFFFAOYSA-N 0 3 283.375 2.849 20 30 CFEDHN C#Cc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC001231661524 777298108 /nfs/dbraw/zinc/29/81/08/777298108.db2.gz VJOOBDQRAUGFQH-GOSISDBHSA-N 0 3 278.355 2.716 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001075724700 777298614 /nfs/dbraw/zinc/29/86/14/777298614.db2.gz WORIYIMYWBGMMD-DLBZAZTESA-N 0 3 288.435 2.986 20 30 CFEDHN C#Cc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001231662364 777299620 /nfs/dbraw/zinc/29/96/20/777299620.db2.gz FGBZBZXREHGYHO-OSYLJGHBSA-N 0 3 250.345 2.934 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc1 ZINC001270081551 777304404 /nfs/dbraw/zinc/30/44/04/777304404.db2.gz DZKFQLZKJBLFDY-HKUYNNGSSA-N 0 3 298.430 2.708 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001028947994 777336580 /nfs/dbraw/zinc/33/65/80/777336580.db2.gz CVSSPGFIMQUMLC-MRXNPFEDSA-N 0 3 298.430 2.885 20 30 CFEDHN C#CCN(C(=O)[C@H](C)[C@H](C)CC)C1CCN(CC=C)CC1 ZINC001270350868 777360761 /nfs/dbraw/zinc/36/07/61/777360761.db2.gz BZNVRIXNUUAHBZ-HZPDHXFCSA-N 0 3 290.451 2.781 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001029011318 777378153 /nfs/dbraw/zinc/37/81/53/777378153.db2.gz IFDQCACIVYGDLG-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)CC)C2 ZINC001270512006 777396537 /nfs/dbraw/zinc/39/65/37/777396537.db2.gz FVRISQZSAKQRSY-WMZOPIPTSA-N 0 3 290.451 2.760 20 30 CFEDHN Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)n1 ZINC001232085138 777434062 /nfs/dbraw/zinc/43/40/62/777434062.db2.gz HNYZFVRQBWISNA-MKZZRHPPSA-N 0 3 255.365 2.965 20 30 CFEDHN N#Cc1ccc(CN2CC(N3CCCCC3)C2)cc1Cl ZINC001232117049 777445421 /nfs/dbraw/zinc/44/54/21/777445421.db2.gz UKINQQZHFAMLEN-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN CN(C)Cc1cc(F)cc(CN2CC[C@@](C)(C#N)C2)c1 ZINC001232148963 777451042 /nfs/dbraw/zinc/45/10/42/777451042.db2.gz GRAAKYJLEHZJBX-INIZCTEOSA-N 0 3 275.371 2.623 20 30 CFEDHN CN(C)Cc1cc(F)cc(CN2CCC(C#N)CC2)c1 ZINC001232145301 777451184 /nfs/dbraw/zinc/45/11/84/777451184.db2.gz ODEUQFNPNMDUND-UHFFFAOYSA-N 0 3 275.371 2.623 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001075767345 777474369 /nfs/dbraw/zinc/47/43/69/777474369.db2.gz SWUNKKAXXHKBIB-DZGCQCFKSA-N 0 3 290.432 2.779 20 30 CFEDHN C=CC(C)(C)C(=O)NCC1(NCC(=C)Cl)CCCC1 ZINC001270776728 777476979 /nfs/dbraw/zinc/47/69/79/777476979.db2.gz DPHIDLJGXQQAAX-UHFFFAOYSA-N 0 3 284.831 2.970 20 30 CFEDHN COc1ccc(CN2CCC(CC#N)CC2)c(C)n1 ZINC001232335475 777526722 /nfs/dbraw/zinc/52/67/22/777526722.db2.gz ZRRATOALFDFZJH-UHFFFAOYSA-N 0 3 259.353 2.524 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001087502962 777542008 /nfs/dbraw/zinc/54/20/08/777542008.db2.gz IHSWTYSPHCCLRW-UONOGXRCSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1CC ZINC001087531924 777599319 /nfs/dbraw/zinc/59/93/19/777599319.db2.gz IBHBXAHAEQGHJF-QWHCGFSZSA-N 0 3 278.440 2.824 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001271099598 777649335 /nfs/dbraw/zinc/64/93/35/777649335.db2.gz DLNCHUGOOYGMBT-LBPRGKRZSA-N 0 3 288.382 2.680 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1CC ZINC001087668212 777673338 /nfs/dbraw/zinc/67/33/38/777673338.db2.gz JIBQWWCZEAOVEO-ZOFXXKQRSA-N 0 3 290.451 2.968 20 30 CFEDHN CCN(CCN1CCCCC1)Cc1ccc(C#N)s1 ZINC001232845530 777691751 /nfs/dbraw/zinc/69/17/51/777691751.db2.gz GNMWNKCERFFYDC-UHFFFAOYSA-N 0 3 277.437 2.928 20 30 CFEDHN CCN1CCN(Cc2ccc(C)cc2C#N)C(C)(C)C1 ZINC001232968641 777744181 /nfs/dbraw/zinc/74/41/81/777744181.db2.gz KHCRFXZOHJYYNH-UHFFFAOYSA-N 0 3 271.408 2.783 20 30 CFEDHN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001040051536 777757632 /nfs/dbraw/zinc/75/76/32/777757632.db2.gz TWHQEXXAKOTDJS-LJQANCHMSA-N 0 3 296.414 2.556 20 30 CFEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083843 777793938 /nfs/dbraw/zinc/79/39/38/777793938.db2.gz DTPMAFKJPUCIRU-HNNXBMFYSA-N 0 3 286.375 2.642 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2cccc3c2CCO3)CC1 ZINC001233277098 777859709 /nfs/dbraw/zinc/85/97/09/777859709.db2.gz NSSRLCBHYRDVQI-CYBMUJFWSA-N 0 3 256.349 2.747 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2occc2C)c1 ZINC000127134745 777878984 /nfs/dbraw/zinc/87/89/84/777878984.db2.gz AYVRHKKNUMBDPX-CYBMUJFWSA-N 0 3 298.298 2.558 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC001271566186 777886857 /nfs/dbraw/zinc/88/68/57/777886857.db2.gz NQQXJBRTSRMIQS-YUTCNCBUSA-N 0 3 284.831 2.756 20 30 CFEDHN CCc1cc(C)c(C#N)c(OC2CCN(C3CC3)CC2)n1 ZINC001233552903 777989438 /nfs/dbraw/zinc/98/94/38/777989438.db2.gz DWJUSYCHRJEQDG-UHFFFAOYSA-N 0 3 285.391 2.830 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233601424 778008816 /nfs/dbraw/zinc/00/88/16/778008816.db2.gz USOYOETWSFQATN-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCCCC[C@H](NCCF)C2)C1 ZINC001088378283 778047665 /nfs/dbraw/zinc/04/76/65/778047665.db2.gz DMVZVTSYXYJFQW-AWEZNQCLSA-N 0 3 282.403 2.673 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1OC1CC[NH+](C(C)C)CC1 ZINC001233803872 778082758 /nfs/dbraw/zinc/08/27/58/778082758.db2.gz UEJNLNFWIJKNCV-GZTJUZNOSA-N 0 3 292.379 2.755 20 30 CFEDHN C#Cc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC001233968226 778125889 /nfs/dbraw/zinc/12/58/89/778125889.db2.gz WANMSFMRUQPJNM-KRWDZBQOSA-N 0 3 278.355 2.716 20 30 CFEDHN C#CCCN1CCC[C@@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029919460 778152661 /nfs/dbraw/zinc/15/26/61/778152661.db2.gz XBTHTOYJXOQQGA-GOSISDBHSA-N 0 3 284.403 2.523 20 30 CFEDHN CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234178994 778181566 /nfs/dbraw/zinc/18/15/66/778181566.db2.gz RHRDTRPRTMGDCN-FUTAKVPZSA-N 0 3 288.435 2.679 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234194551 778184217 /nfs/dbraw/zinc/18/42/17/778184217.db2.gz FHVNWZARYWWUIG-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C=C/C(C)=C\CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CC ZINC001272032842 778186094 /nfs/dbraw/zinc/18/60/94/778186094.db2.gz FPGUNDYPWYOVMI-DNQJIUQOSA-N 0 3 286.419 2.597 20 30 CFEDHN CC(C)CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234205940 778186467 /nfs/dbraw/zinc/18/64/67/778186467.db2.gz MPLKZHZRCITKDE-OAHLLOKOSA-N 0 3 278.440 2.615 20 30 CFEDHN COc1cc(CN(C)C)cc(F)c1O[C@H](C)[C@H](C)S ZINC001234243501 778193049 /nfs/dbraw/zinc/19/30/49/778193049.db2.gz JBZSEXFITHJONS-ZJUUUORDSA-N 0 3 287.400 2.982 20 30 CFEDHN COc1cc(/C=C/C(C)=O)ccc1O[C@H]1CCCN(C)C1 ZINC001234336133 778210185 /nfs/dbraw/zinc/21/01/85/778210185.db2.gz PDNSKAMYVMJXJW-LFAOLKIESA-N 0 3 289.375 2.770 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1C(C)C ZINC001234510075 778239302 /nfs/dbraw/zinc/23/93/02/778239302.db2.gz UGCXYGSXRHBXSU-OAHLLOKOSA-N 0 3 264.413 2.696 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001272060705 778241705 /nfs/dbraw/zinc/24/17/05/778241705.db2.gz KOEKVIVKMMEDAY-HOTGVXAUSA-N 0 3 290.451 2.638 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001272060703 778242190 /nfs/dbraw/zinc/24/21/90/778242190.db2.gz KOEKVIVKMMEDAY-CVEARBPZSA-N 0 3 290.451 2.638 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(C)C ZINC001234561715 778250890 /nfs/dbraw/zinc/25/08/90/778250890.db2.gz BQAYVRFYOPQBJF-CYBMUJFWSA-N 0 3 252.402 2.530 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CC[C@@H](C)F ZINC001234614981 778266417 /nfs/dbraw/zinc/26/64/17/778266417.db2.gz WRGDUZXXRQAWST-KGLIPLIRSA-N 0 3 270.392 2.624 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCCCCOC ZINC001234624599 778268879 /nfs/dbraw/zinc/26/88/79/778268879.db2.gz FHJBOZNZTSQKTB-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC001088581347 778301092 /nfs/dbraw/zinc/30/10/92/778301092.db2.gz MUAKGLSVAIVBDN-HIFRSBDPSA-N 0 3 290.382 2.903 20 30 CFEDHN CCN1CC[C@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234853666 778310787 /nfs/dbraw/zinc/31/07/87/778310787.db2.gz BEZGRHYFALRMHY-LBPRGKRZSA-N 0 3 267.332 2.579 20 30 CFEDHN CCN1CCC[C@@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234854203 778312081 /nfs/dbraw/zinc/31/20/81/778312081.db2.gz GEEFHWUWCFLCOD-CYBMUJFWSA-N 0 3 281.359 2.970 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1cccc(C)c1Cl ZINC001272137273 778362222 /nfs/dbraw/zinc/36/22/22/778362222.db2.gz GCUHNYQKSHNYQP-UHFFFAOYSA-N 0 3 292.810 2.676 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@@H](CC)CC(C)C ZINC001272145351 778362725 /nfs/dbraw/zinc/36/27/25/778362725.db2.gz MCJCKPHJHWMWQN-AWEZNQCLSA-N 0 3 254.418 2.635 20 30 CFEDHN C#Cc1ccccc1CC(=O)N(C)CCN(C)CC=C(C)C ZINC001272158263 778363739 /nfs/dbraw/zinc/36/37/39/778363739.db2.gz GXDAILFMOGIWEU-UHFFFAOYSA-N 0 3 298.430 2.567 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764287 778482116 /nfs/dbraw/zinc/48/21/16/778482116.db2.gz UNIZHRZKRDNKKA-SUJAAXHWSA-N 0 3 276.424 2.578 20 30 CFEDHN C=CCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224364331 778486391 /nfs/dbraw/zinc/48/63/91/778486391.db2.gz WXNICEKVCUMULM-NUEKZKHPSA-N 0 3 265.397 2.944 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC001088779496 778488892 /nfs/dbraw/zinc/48/88/92/778488892.db2.gz JCXUBRXXWFYBRX-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN CN(Cc1ccccc1CC#N)C1CC(F)(F)C1 ZINC001235511635 778508370 /nfs/dbraw/zinc/50/83/70/778508370.db2.gz KDTJVHWWCINDLV-UHFFFAOYSA-N 0 3 250.292 2.982 20 30 CFEDHN CCN(C(C)=O)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235528987 778513096 /nfs/dbraw/zinc/51/30/96/778513096.db2.gz VEBTWEUBMMFUOS-UHFFFAOYSA-N 0 3 299.418 2.585 20 30 CFEDHN CCOC(=O)c1ccc(CN2CCC[C@H](C#N)CC2)cc1 ZINC001142599898 778518545 /nfs/dbraw/zinc/51/85/45/778518545.db2.gz YYAKVRWZLWHXBP-AWEZNQCLSA-N 0 3 286.375 2.989 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)[C@H]1C ZINC001088817720 778529873 /nfs/dbraw/zinc/52/98/73/778529873.db2.gz CSLCICRHZFWAOW-UPJWGTAASA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001076017839 778559349 /nfs/dbraw/zinc/55/93/49/778559349.db2.gz YMIUXNMWBVLVCX-ZWKOTPCHSA-N 0 3 298.430 2.646 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc(C)ccc3C)[C@@H]2C1 ZINC001076206361 778576088 /nfs/dbraw/zinc/57/60/88/778576088.db2.gz LCJQFYIWSSXMDQ-FUHWJXTLSA-N 0 3 298.430 2.565 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001076598215 778597124 /nfs/dbraw/zinc/59/71/24/778597124.db2.gz RSRGBADWMVPCPA-OKZBNKHCSA-N 0 3 296.414 2.675 20 30 CFEDHN CC(C)c1ccc(CCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129461961 778727818 /nfs/dbraw/zinc/72/78/18/778727818.db2.gz KYNMXJREVSOGFC-INIZCTEOSA-N 0 3 298.386 2.730 20 30 CFEDHN CN(C)Cc1cncc(-c2ccc(C#N)cc2F)c1 ZINC001236531568 778866874 /nfs/dbraw/zinc/86/68/74/778866874.db2.gz BXOCSSPDVCZSDW-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN COc1ccc(C#N)cc1-c1cc(CN(C)C)ccn1 ZINC001236535863 778868059 /nfs/dbraw/zinc/86/80/59/778868059.db2.gz GQPLJZMRPYWDNC-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN COc1ccc(C#N)cc1-c1ccc2c(c1)COC21CNC1 ZINC001236545506 778873618 /nfs/dbraw/zinc/87/36/18/778873618.db2.gz WKFYURKFZSTBHJ-UHFFFAOYSA-N 0 3 292.338 2.563 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851815 778890034 /nfs/dbraw/zinc/89/00/34/778890034.db2.gz VATYKNGYQSNMKF-UPJWGTAASA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001099016334 778913518 /nfs/dbraw/zinc/91/35/18/778913518.db2.gz KBDIADWETKXHOT-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)[C@H]1C ZINC001088879794 778931986 /nfs/dbraw/zinc/93/19/86/778931986.db2.gz KGUCCYXZWYPWIR-UGUYLWEFSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC001088877406 778932730 /nfs/dbraw/zinc/93/27/30/778932730.db2.gz OQKRGJBBSCERDZ-KDOFPFPSSA-N 0 3 298.430 2.557 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cn2)[C@H]1C ZINC001088993032 778968447 /nfs/dbraw/zinc/96/84/47/778968447.db2.gz MENYOILHSKMCQW-YPMHNXCESA-N 0 3 293.798 2.504 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC001089016311 778973766 /nfs/dbraw/zinc/97/37/66/778973766.db2.gz TYUZDNMSIPCSPL-ZBFHGGJFSA-N 0 3 272.392 2.682 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)c1sccc1C(C)C ZINC001278025118 778978782 /nfs/dbraw/zinc/97/87/82/778978782.db2.gz KSBVUKCVAQVZKU-CYBMUJFWSA-N 0 3 292.448 2.945 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089054651 778982467 /nfs/dbraw/zinc/98/24/67/778982467.db2.gz YWMKDKQGNVWENZ-KDOFPFPSSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089065971 778985246 /nfs/dbraw/zinc/98/52/46/778985246.db2.gz LBDJRNYNZPSXBD-ZBFHGGJFSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089067387 778985604 /nfs/dbraw/zinc/98/56/04/778985604.db2.gz DZDCZVNUDTYYLL-OAGGEKHMSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCCCCCN1CCNC[C@@H]1C(F)(F)F ZINC001236974908 778987366 /nfs/dbraw/zinc/98/73/66/778987366.db2.gz GPCDCHSLZVPQBI-LLVKDONJSA-N 0 3 250.308 2.569 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089067917 778987395 /nfs/dbraw/zinc/98/73/95/778987395.db2.gz BUEXAPHPWZAZLH-NDUQDZPOSA-N 0 3 290.451 2.805 20 30 CFEDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001237043158 778995659 /nfs/dbraw/zinc/99/56/59/778995659.db2.gz LXXHWDZHBJERQU-ZDUSSCGKSA-N 0 3 274.364 2.917 20 30 CFEDHN CCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001237043158 778995664 /nfs/dbraw/zinc/99/56/64/778995664.db2.gz LXXHWDZHBJERQU-ZDUSSCGKSA-N 0 3 274.364 2.917 20 30 CFEDHN N#CCCCCNc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001168433396 779043383 /nfs/dbraw/zinc/04/33/83/779043383.db2.gz ATEFGNYEILJGID-MRXNPFEDSA-N 0 3 298.390 2.706 20 30 CFEDHN C#Cc1cccc(CN2CCNC3=CCCC[C@@H]32)c1 ZINC001237224327 779054552 /nfs/dbraw/zinc/05/45/52/779054552.db2.gz FHCTXZXQYYBPLM-KRWDZBQOSA-N 0 3 252.361 2.510 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)CC[C@H](C)CC)CC1 ZINC001278080009 779070380 /nfs/dbraw/zinc/07/03/80/779070380.db2.gz ODROVRJVDGDMRJ-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233732385 779077152 /nfs/dbraw/zinc/07/71/52/779077152.db2.gz QRESQYFWVFZSNS-ZIAGYGMSSA-N 0 3 284.469 2.627 20 30 CFEDHN Cn1cc(CN2CC[C@@H]3COC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237467992 779115000 /nfs/dbraw/zinc/11/50/00/779115000.db2.gz JHGRZXZTJOSATD-ZBFHGGJFSA-N 0 3 295.386 2.518 20 30 CFEDHN COc1cc(CN2CCC[C@H](CC#N)C2)c(O)c(OC)c1 ZINC001237676904 779159622 /nfs/dbraw/zinc/15/96/22/779159622.db2.gz SLTBDVWJVSJJEC-GFCCVEGCSA-N 0 3 290.363 2.535 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2nc(C)sc2C)C1 ZINC001046416365 779174656 /nfs/dbraw/zinc/17/46/56/779174656.db2.gz UUGYEZRWUFBJNY-OAHLLOKOSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCN(C(=O)CCCC=C)C1CCN(CC(=C)C)CC1 ZINC001278177182 779232006 /nfs/dbraw/zinc/23/20/06/779232006.db2.gz JHHJHYMFTBDJQQ-UHFFFAOYSA-N 0 3 288.435 2.845 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)C[C@H](C)N1C ZINC001238190826 779275486 /nfs/dbraw/zinc/27/54/86/779275486.db2.gz FJTNCOBQKZTAQT-TXEJJXNPSA-N 0 3 277.799 2.736 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CC1 ZINC001099225705 779291256 /nfs/dbraw/zinc/29/12/56/779291256.db2.gz ZGWNLRJOMMOCPX-CYBMUJFWSA-N 0 3 282.403 2.529 20 30 CFEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(C)cc2C)C1=O ZINC001272640206 779366507 /nfs/dbraw/zinc/36/65/07/779366507.db2.gz UJRIALSVUARJSC-LJQANCHMSA-N 0 3 296.414 2.504 20 30 CFEDHN C=CCC1(C(=O)N[C@@H](CNCCF)C2CCCC2)CCC1 ZINC001278268017 779366712 /nfs/dbraw/zinc/36/67/12/779366712.db2.gz QEPCNDKBZKUHAH-HNNXBMFYSA-N 0 3 296.430 2.967 20 30 CFEDHN CCc1cc(CN2CCN(C(C)C)CC2)ccc1C#N ZINC001238767485 779385244 /nfs/dbraw/zinc/38/52/44/779385244.db2.gz WCRWVYLBJHQNBB-UHFFFAOYSA-N 0 3 271.408 2.647 20 30 CFEDHN CCc1cc(CN2CC[C@@H](c3nc(C)no3)C2)ccc1C#N ZINC001238769886 779386772 /nfs/dbraw/zinc/38/67/72/779386772.db2.gz WBWSNWCELFQPHQ-MRXNPFEDSA-N 0 3 296.374 2.802 20 30 CFEDHN N#Cc1ccc(/C=C/c2ccc3c(n2)CNCC3)cc1 ZINC001239283985 779501060 /nfs/dbraw/zinc/50/10/60/779501060.db2.gz IFCOIXYVBDXEBM-FNORWQNLSA-N 0 3 261.328 2.769 20 30 CFEDHN CCCCCCCOC(=O)N1[C@H](C)CNC[C@H]1C ZINC001239336791 779527285 /nfs/dbraw/zinc/52/72/85/779527285.db2.gz SESNDOBGGBAPCE-CHWSQXEVSA-N 0 3 256.390 2.776 20 30 CFEDHN C#CCN1CCC([C@@H]2CCCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001047232309 779544977 /nfs/dbraw/zinc/54/49/77/779544977.db2.gz MNZQVWYETRERBU-ZNZANGIRSA-N 0 3 288.435 2.536 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089701044 779572837 /nfs/dbraw/zinc/57/28/37/779572837.db2.gz IATXJXGHSVXYRF-HUUCEWRRSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CC(C)C)cc1 ZINC001272682708 779595265 /nfs/dbraw/zinc/59/52/65/779595265.db2.gz MNKPVCLIAJGOCA-CQSZACIVSA-N 0 3 272.392 2.633 20 30 CFEDHN C=C(C)CCC(=O)N[C@@H]1CN(CC/C=C\CC)C[C@H]1OC ZINC001212348806 779700771 /nfs/dbraw/zinc/70/07/71/779700771.db2.gz AZOGPUAVVIPBDG-JTUDCUDASA-N 0 3 294.439 2.514 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001032133037 779746155 /nfs/dbraw/zinc/74/61/55/779746155.db2.gz USBFQJYCCBQAOE-UHFFFAOYSA-N 0 3 290.407 2.642 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001032210740 779765735 /nfs/dbraw/zinc/76/57/35/779765735.db2.gz OBWCVHNWFFXFCB-OAHLLOKOSA-N 0 3 298.430 2.885 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001032254352 779793421 /nfs/dbraw/zinc/79/34/21/779793421.db2.gz FXGDMFVITKNNNQ-KBPBESRZSA-N 0 3 288.366 2.691 20 30 CFEDHN CCc1cc(CN2CCOC[C@H](C)C2)ccc1C#N ZINC001238766291 779825465 /nfs/dbraw/zinc/82/54/65/779825465.db2.gz KGKBVQDBVNQURG-CYBMUJFWSA-N 0 3 258.365 2.589 20 30 CFEDHN CC#CCN1CC[C@@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC001041026234 779915154 /nfs/dbraw/zinc/91/51/54/779915154.db2.gz BJMQQANBJFDYGM-LJQANCHMSA-N 0 3 296.414 2.556 20 30 CFEDHN CCCC(=O)N1CC[C@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001047680719 779945135 /nfs/dbraw/zinc/94/51/35/779945135.db2.gz MGEIAVAAFGXJSM-PBHICJAKSA-N 0 3 299.418 2.685 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1CC ZINC001032487320 779979722 /nfs/dbraw/zinc/97/97/22/779979722.db2.gz MMWPKCUEZNRQKT-HOTGVXAUSA-N 0 3 299.418 2.509 20 30 CFEDHN N#Cc1ccc(-c2ccc3c(c2)COC32CNC2)cc1F ZINC001240161138 779980827 /nfs/dbraw/zinc/98/08/27/779980827.db2.gz YFLXWXYNHZYPNP-UHFFFAOYSA-N 0 3 280.302 2.693 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(C)c1 ZINC001032544740 780023815 /nfs/dbraw/zinc/02/38/15/780023815.db2.gz IAJVLRRXDDJYAG-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001032557957 780030757 /nfs/dbraw/zinc/03/07/57/780030757.db2.gz YUNTYOPRIBNPEM-CKUJCDMFSA-N 0 3 290.451 2.920 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C=CCC1 ZINC001032568564 780043671 /nfs/dbraw/zinc/04/36/71/780043671.db2.gz FOQOQEMNXZSTCV-YQQAZPJKSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001032575132 780046884 /nfs/dbraw/zinc/04/68/84/780046884.db2.gz RLMBXHFEKZFNQL-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049453801 780152909 /nfs/dbraw/zinc/15/29/09/780152909.db2.gz NBWJTXSZYIXKCP-HUUCEWRRSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccnc1C ZINC001272828098 780155032 /nfs/dbraw/zinc/15/50/32/780155032.db2.gz GVSXCSKLRVVBSQ-IAGOWNOFSA-N 0 3 299.418 2.531 20 30 CFEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC)c1ccccc1 ZINC001032797723 780249790 /nfs/dbraw/zinc/24/97/90/780249790.db2.gz XUBHQBRDKUQGFT-YESZJQIVSA-N 0 3 284.403 2.651 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccoc2)C12CCC2 ZINC001078556995 780272926 /nfs/dbraw/zinc/27/29/26/780272926.db2.gz YVFJAFNWINSDIV-CHWSQXEVSA-N 0 3 294.782 2.663 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)C)C12CCC2 ZINC001078788352 780308685 /nfs/dbraw/zinc/30/86/85/780308685.db2.gz GDKQEVROVHSXRS-VXGBXAGGSA-N 0 3 284.831 2.802 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001002068277 780333288 /nfs/dbraw/zinc/33/32/88/780333288.db2.gz YSJGWUUPUJMFPY-JCNLHEQBSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(C)CN1CCC2(CCN(Cc3ccoc3)CC2)C1=O ZINC001272983986 780442626 /nfs/dbraw/zinc/44/26/26/780442626.db2.gz ZVWPGQSKBYKCAA-UHFFFAOYSA-N 0 3 288.391 2.670 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032961265 780519229 /nfs/dbraw/zinc/51/92/29/780519229.db2.gz PLMNDOPMAAZGBR-MRXNPFEDSA-N 0 3 276.424 2.986 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033103338 780563515 /nfs/dbraw/zinc/56/35/15/780563515.db2.gz OUYNHFSPNVUARO-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033106892 780566433 /nfs/dbraw/zinc/56/64/33/780566433.db2.gz IZFLHXUXUFANKJ-NVXWUHKLSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001033138819 780579605 /nfs/dbraw/zinc/57/96/05/780579605.db2.gz BWWCGWNHYSIQLZ-CYBMUJFWSA-N 0 3 291.395 2.520 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)c2cn(C)c3ccccc23)C1 ZINC001033240299 780627791 /nfs/dbraw/zinc/62/77/91/780627791.db2.gz KPTAZMORPBJNQI-AWEZNQCLSA-N 0 3 297.402 2.511 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292666 780641074 /nfs/dbraw/zinc/64/10/74/780641074.db2.gz TZIJQNYMGGLAAZ-WCXIOVBPSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033301528 780644593 /nfs/dbraw/zinc/64/45/93/780644593.db2.gz WPYJNEHBMBQHRL-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033535615 780711721 /nfs/dbraw/zinc/71/17/21/780711721.db2.gz DCQULJHQTNPONW-CQSZACIVSA-N 0 3 287.407 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033732529 780767396 /nfs/dbraw/zinc/76/73/96/780767396.db2.gz KOSZRUOEJONBPK-AWEZNQCLSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001033787983 780787763 /nfs/dbraw/zinc/78/77/63/780787763.db2.gz BBTIHPMGGCCITI-CYBMUJFWSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033874512 780816265 /nfs/dbraw/zinc/81/62/65/780816265.db2.gz ZXEYZCCHSBQHQL-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926470 780824305 /nfs/dbraw/zinc/82/43/05/780824305.db2.gz CUUUTYIXOMCEFA-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001033924370 780825362 /nfs/dbraw/zinc/82/53/62/780825362.db2.gz WVCXMSSLXNXZDG-SFHVURJKSA-N 0 3 296.414 2.780 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001034073077 780881899 /nfs/dbraw/zinc/88/18/99/780881899.db2.gz CRQOTVCBXXLBMD-CQSZACIVSA-N 0 3 290.382 2.986 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034191132 780918908 /nfs/dbraw/zinc/91/89/08/780918908.db2.gz WBYKIAZIIINIPS-AWEZNQCLSA-N 0 3 289.423 2.738 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001034236895 780930621 /nfs/dbraw/zinc/93/06/21/780930621.db2.gz OPPQLQGBVBJJPW-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001034293270 780940435 /nfs/dbraw/zinc/94/04/35/780940435.db2.gz MUNSERMGSHCTRY-AWEZNQCLSA-N 0 3 297.402 2.938 20 30 CFEDHN Cc1nc(C#N)cnc1C1=CCN(Cc2ccccc2)CC1 ZINC001241502362 780947258 /nfs/dbraw/zinc/94/72/58/780947258.db2.gz HGOXGRLAQOSDNP-UHFFFAOYSA-N 0 3 290.370 2.946 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353178 780949295 /nfs/dbraw/zinc/94/92/95/780949295.db2.gz VHQYQMGOLSBCHL-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034374308 780957047 /nfs/dbraw/zinc/95/70/47/780957047.db2.gz ZAWSZILACLUTHL-AEFFLSMTSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034376298 780960661 /nfs/dbraw/zinc/96/06/61/780960661.db2.gz VEPKCAXGOLRNIN-QGZVFWFLSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034385984 780962859 /nfs/dbraw/zinc/96/28/59/780962859.db2.gz ORJSGCUTHGDDSV-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034437405 780975879 /nfs/dbraw/zinc/97/58/79/780975879.db2.gz YFEPOTVKWSRXBA-OWCLPIDISA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034545181 780997389 /nfs/dbraw/zinc/99/73/89/780997389.db2.gz ZGENTEGJWFSTLT-BACDZXNISA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034545227 780997469 /nfs/dbraw/zinc/99/74/69/780997469.db2.gz ZGENTEGJWFSTLT-GQGLESIBSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)c2ccc(C(F)F)o2)CC1 ZINC001045631236 781094134 /nfs/dbraw/zinc/09/41/34/781094134.db2.gz REHKMCRWURBROL-UHFFFAOYSA-N 0 3 298.333 2.988 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC[C@@H]2CNCc2ccccn2)C1 ZINC001035040758 781102866 /nfs/dbraw/zinc/10/28/66/781102866.db2.gz DMIMRGXPMHXMGZ-MRXNPFEDSA-N 0 3 299.418 2.519 20 30 CFEDHN CCN1CCN(c2ccc(-c3ccnc(C#N)c3)cc2)CC1 ZINC001241744102 781104782 /nfs/dbraw/zinc/10/47/82/781104782.db2.gz UUTLJLVGSFQOQY-UHFFFAOYSA-N 0 3 292.386 2.762 20 30 CFEDHN CCCCCCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000705841546 781147050 /nfs/dbraw/zinc/14/70/50/781147050.db2.gz TYSKDTKBKUYREW-UHFFFAOYSA-N 0 3 252.402 2.735 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC=CCC1)CC2 ZINC001035646915 781154677 /nfs/dbraw/zinc/15/46/77/781154677.db2.gz FKURKXXMSSCLJX-INIZCTEOSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@]1(C)C=CCC1)CC2 ZINC001035766924 781165357 /nfs/dbraw/zinc/16/53/57/781165357.db2.gz WFTVQBCPOOUURJ-QGZVFWFLSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccnc1C)CC2 ZINC001035783317 781168945 /nfs/dbraw/zinc/16/89/45/781168945.db2.gz ZDWJLMVUPWJGIC-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@@](C)(C=C)CC)CC2 ZINC001035788126 781170064 /nfs/dbraw/zinc/17/00/64/781170064.db2.gz WNLXQLVCRMXRBY-KRWDZBQOSA-N 0 3 288.435 2.536 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(C)CC)CC2 ZINC001035826497 781173444 /nfs/dbraw/zinc/17/34/44/781173444.db2.gz GWWSJJYWDWKCOT-WBVHZDCISA-N 0 3 290.451 2.923 20 30 CFEDHN CC(C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001035932885 781191143 /nfs/dbraw/zinc/19/11/43/781191143.db2.gz RJEIBJOHFKABQG-WMLDXEAASA-N 0 3 299.418 2.541 20 30 CFEDHN CN(C)/C=C/c1ccncc1-c1cccnc1C#N ZINC001242313318 781391146 /nfs/dbraw/zinc/39/11/46/781391146.db2.gz APGLBJGZZZCXNM-RMKNXTFCSA-N 0 3 250.305 2.548 20 30 CFEDHN C=CC(C)(C)CNCc1cnc(C(=O)OCC)s1 ZINC000711490164 781447951 /nfs/dbraw/zinc/44/79/51/781447951.db2.gz FXIXTEDMYOABSD-UHFFFAOYSA-N 0 3 268.382 2.622 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001079410681 781595147 /nfs/dbraw/zinc/59/51/47/781595147.db2.gz ZJZHUHBHPUGAIO-IAQYHMDHSA-N 0 3 276.380 2.523 20 30 CFEDHN N#Cc1cc(-c2cccc(-n3cc[nH+]c3N)c2)ccc1[O-] ZINC001242566846 781606798 /nfs/dbraw/zinc/60/67/98/781606798.db2.gz MCPWYWTVCNOAKL-UHFFFAOYSA-N 0 3 276.299 2.699 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001080374633 781657840 /nfs/dbraw/zinc/65/78/40/781657840.db2.gz GLXKIBIRROGJFV-IUODEOHRSA-N 0 3 292.810 2.505 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001080643618 781672339 /nfs/dbraw/zinc/67/23/39/781672339.db2.gz GBXROXQGXAQUQC-QGPMSJSTSA-N 0 3 298.430 2.729 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001080777758 781676007 /nfs/dbraw/zinc/67/60/07/781676007.db2.gz FDXCYUNKCXQXLD-MRVWCRGKSA-N 0 3 292.448 2.783 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001080776615 781676131 /nfs/dbraw/zinc/67/61/31/781676131.db2.gz LUUHOTTYWQGUIY-UKRRQHHQSA-N 0 3 290.407 2.858 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001080811732 781679112 /nfs/dbraw/zinc/67/91/12/781679112.db2.gz UKUTXRMVDCAXOR-BFYDXBDKSA-N 0 3 286.419 2.803 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001080878372 781682663 /nfs/dbraw/zinc/68/26/63/781682663.db2.gz PAWBJNDQHQCNJO-CZUORRHYSA-N 0 3 272.392 2.540 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001081006544 781687915 /nfs/dbraw/zinc/68/79/15/781687915.db2.gz FFMGAGOSCVNZKA-PYVGIJRLSA-N 0 3 290.451 2.825 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001081015964 781696184 /nfs/dbraw/zinc/69/61/84/781696184.db2.gz ZRCOJXPPMWSLIL-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)CSC ZINC001098887808 781748478 /nfs/dbraw/zinc/74/84/78/781748478.db2.gz HVRIAOAFYJIQRV-CYBMUJFWSA-N 0 3 284.469 2.532 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)CSC ZINC001098887810 781749355 /nfs/dbraw/zinc/74/93/55/781749355.db2.gz HVRIAOAFYJIQRV-ZDUSSCGKSA-N 0 3 284.469 2.532 20 30 CFEDHN CCC(=NN[C@@H]1CCCSC1)c1ccc(N)cc1 ZINC001119362833 781767160 /nfs/dbraw/zinc/76/71/60/781767160.db2.gz JGHMTOPHPAEDAE-CYBMUJFWSA-N 0 3 263.410 2.868 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001084631409 781810351 /nfs/dbraw/zinc/81/03/51/781810351.db2.gz QZUVLHJVFIWMQX-IAGOWNOFSA-N 0 3 288.435 2.842 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001084638290 781814919 /nfs/dbraw/zinc/81/49/19/781814919.db2.gz YKDSCURTWYAKQP-DGCLKSJQSA-N 0 3 294.782 2.655 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CC[C@H](C)F)C[C@H]32)C1 ZINC001084645780 781817787 /nfs/dbraw/zinc/81/77/87/781817787.db2.gz DQVKOCPGCLFLRZ-RRFJBIMHSA-N 0 3 294.414 2.624 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834952 781875290 /nfs/dbraw/zinc/87/52/90/781875290.db2.gz PVTCPTTUWFEDQJ-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H](C#N)OCCN1CCc2ccsc2[C@@H]1C ZINC000712277780 781887967 /nfs/dbraw/zinc/88/79/67/781887967.db2.gz NPINRVJMNQQQSN-QWRGUYRKSA-N 0 3 250.367 2.596 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594604368 349459927 /nfs/dbraw/zinc/45/99/27/349459927.db2.gz YRJZQAWGVRJAHT-ZIAGYGMSSA-N 0 3 274.343 2.521 20 30 CFEDHN C[C@H](N[C@H]1COC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000594733229 349483152 /nfs/dbraw/zinc/48/31/52/349483152.db2.gz ZROTYJGAHDHPBN-SWLSCSKDSA-N 0 3 256.349 2.920 20 30 CFEDHN CC[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)CO1 ZINC000594936594 349518537 /nfs/dbraw/zinc/51/85/37/349518537.db2.gz FKVDCIXUKUYKEQ-LZWOXQAQSA-N 0 3 256.349 2.703 20 30 CFEDHN CC[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000594941546 349521133 /nfs/dbraw/zinc/52/11/33/349521133.db2.gz VLQOZRYVPXQYCG-QWHCGFSZSA-N 0 3 264.756 2.869 20 30 CFEDHN Cn1nc(C(F)(F)F)cc1CNCC(C)(C)CCC#N ZINC000594953471 349526559 /nfs/dbraw/zinc/52/65/59/349526559.db2.gz IZBNDCJFZCGKQE-UHFFFAOYSA-N 0 3 288.317 2.858 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1ccc(C#N)c(OC)c1 ZINC000594955592 349528635 /nfs/dbraw/zinc/52/86/35/349528635.db2.gz CNVQPTFJIMTGBW-INIZCTEOSA-N 0 3 288.391 2.862 20 30 CFEDHN CC(C)(C)N1CC[C@H](NCc2cc(C#N)cs2)C1 ZINC000594957213 349529210 /nfs/dbraw/zinc/52/92/10/349529210.db2.gz PZSDVZFPINOIKJ-LBPRGKRZSA-N 0 3 263.410 2.582 20 30 CFEDHN C=CCCSCCNCc1cccc2c1OCCO2 ZINC000594960550 349530164 /nfs/dbraw/zinc/53/01/64/349530164.db2.gz SMMXSXNLGZSTNN-UHFFFAOYSA-N 0 3 279.405 2.857 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594961642 349531172 /nfs/dbraw/zinc/53/11/72/349531172.db2.gz XWPOWCKFWDHEPE-CVEARBPZSA-N 0 3 268.360 2.675 20 30 CFEDHN Cc1ccc(O)c(CNC(C)(C)c2cccc(C#N)c2)n1 ZINC000594966861 349533980 /nfs/dbraw/zinc/53/39/80/349533980.db2.gz BPHVERAILXCTFB-UHFFFAOYSA-N 0 3 281.359 2.992 20 30 CFEDHN C=CCCSCCNCc1ccnn1CC1CC1 ZINC000594967300 349534399 /nfs/dbraw/zinc/53/43/99/349534399.db2.gz LCOYEKQBMUZOJX-UHFFFAOYSA-N 0 3 265.426 2.692 20 30 CFEDHN C=CCOCCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594974608 349537152 /nfs/dbraw/zinc/53/71/52/349537152.db2.gz BMZAYHAPWFYHLU-UHFFFAOYSA-N 0 3 264.325 2.586 20 30 CFEDHN Cn1cc(C[C@H]2CCC[C@@H]2NCc2ccccc2C#N)cn1 ZINC000594979392 349537858 /nfs/dbraw/zinc/53/78/58/349537858.db2.gz KEIXJBZWIRPAIC-QAPCUYQASA-N 0 3 294.402 2.793 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H]3C[C@H](O)C34CCC4)cc2)CC1 ZINC000594990512 349541445 /nfs/dbraw/zinc/54/14/45/349541445.db2.gz ZNPDLPDXNUJESQ-CVEARBPZSA-N 0 3 282.387 2.635 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccc(C(F)F)nc1 ZINC000595021398 349553097 /nfs/dbraw/zinc/55/30/97/349553097.db2.gz XLOVJYWVICJIIT-LLVKDONJSA-N 0 3 294.349 2.658 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN2Cc2ccccc2)cc1 ZINC000594998875 349543166 /nfs/dbraw/zinc/54/31/66/349543166.db2.gz KHSJIBKDGPAUPA-LJQANCHMSA-N 0 3 291.398 2.922 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)o1 ZINC000594997155 349543193 /nfs/dbraw/zinc/54/31/93/349543193.db2.gz YPZWGIAMMIRHFF-ARFHVFGLSA-N 0 3 268.291 2.718 20 30 CFEDHN N#Cc1csc(CNCC2(O)CCC(F)(F)CC2)c1 ZINC000595000429 349543370 /nfs/dbraw/zinc/54/33/70/349543370.db2.gz LMYRPRFVYBVNGW-UHFFFAOYSA-N 0 3 286.347 2.650 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCC(F)(F)CC2)cc1F ZINC000595001793 349543758 /nfs/dbraw/zinc/54/37/58/349543758.db2.gz ZAMBRRQUJZKXPB-UHFFFAOYSA-N 0 3 298.308 2.727 20 30 CFEDHN C[C@@H](N[C@@H](CO)C1CCC1)c1ccc(C#N)cc1F ZINC000595057546 349569273 /nfs/dbraw/zinc/56/92/73/349569273.db2.gz ZOOVSBCDAVDBAO-BMIGLBTASA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](N[C@@H](CO)C1CCC1)c1ccc(C#N)cc1F ZINC000595057548 349569302 /nfs/dbraw/zinc/56/93/02/349569302.db2.gz ZOOVSBCDAVDBAO-BONVTDFDSA-N 0 3 262.328 2.509 20 30 CFEDHN N#CC1(CC(=O)N2C[C@@H](N)Cc3ccccc32)CCCCC1 ZINC000595251819 349587032 /nfs/dbraw/zinc/58/70/32/349587032.db2.gz XYWQALSVNYNAMD-HNNXBMFYSA-N 0 3 297.402 2.767 20 30 CFEDHN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000595251438 349587473 /nfs/dbraw/zinc/58/74/73/349587473.db2.gz VTFKAVOULHUWDI-HOTGVXAUSA-N 0 3 299.418 2.988 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](N)CCCC#N)CCCC1 ZINC000595257805 349587893 /nfs/dbraw/zinc/58/78/93/349587893.db2.gz XFMSUPWINXTZCL-AWEZNQCLSA-N 0 3 277.412 2.650 20 30 CFEDHN Cc1ccc2oc(CNC(=O)[C@@H](N)CCCCC#N)cc2c1 ZINC000595255769 349588064 /nfs/dbraw/zinc/58/80/64/349588064.db2.gz DOXFVHUWAJPECK-HNNXBMFYSA-N 0 3 299.374 2.769 20 30 CFEDHN COc1cc(C)c(C)cc1NC(=O)[C@H](N)CCCCC#N ZINC000595257371 349588269 /nfs/dbraw/zinc/58/82/69/349588269.db2.gz UXSGQGSCINXVRD-CYBMUJFWSA-N 0 3 289.379 2.662 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCC2(CCCC2)CC1 ZINC000595257744 349588277 /nfs/dbraw/zinc/58/82/77/349588277.db2.gz VWXVSERJLZMWJX-HNNXBMFYSA-N 0 3 291.439 2.971 20 30 CFEDHN CCCN(Cc1ccccc1F)C(=O)[C@@H](N)CCCC#N ZINC000595257391 349588445 /nfs/dbraw/zinc/58/84/45/349588445.db2.gz JSDZXIQUFQTOJF-HNNXBMFYSA-N 0 3 291.370 2.585 20 30 CFEDHN CN(C[C@H]1CCc2ccccc21)C(=O)[C@H](N)CCCCC#N ZINC000595258291 349588966 /nfs/dbraw/zinc/58/89/66/349588966.db2.gz BMBKHCJOEZIVBZ-NVXWUHKLSA-N 0 3 299.418 2.586 20 30 CFEDHN CC1(C)CC(CNC(=O)[C@@H](N)CCCC#N)CC(C)(C)C1 ZINC000595269291 349589081 /nfs/dbraw/zinc/58/90/81/349589081.db2.gz MSWXRKIGRGGRCV-AWEZNQCLSA-N 0 3 293.455 2.976 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cccnc2N2CCCC2)C1 ZINC000595074065 349574923 /nfs/dbraw/zinc/57/49/23/349574923.db2.gz SUMLBLCGSRFECN-ZBFHGGJFSA-N 0 3 284.407 2.854 20 30 CFEDHN N#Cc1ccc(CN2CCN(CC3CC=CC3)CC2)cc1 ZINC000595287636 349590594 /nfs/dbraw/zinc/59/05/94/349590594.db2.gz SYHUBFVJJHILMI-UHFFFAOYSA-N 0 3 281.403 2.642 20 30 CFEDHN CO[C@H](CN(C)Cc1cccc(C#N)c1)C1CCC1 ZINC000595290986 349592710 /nfs/dbraw/zinc/59/27/10/349592710.db2.gz VNCFZUMWWZRTFA-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1ccc(C#N)cc1 ZINC000595411314 349619223 /nfs/dbraw/zinc/61/92/23/349619223.db2.gz GQKFTCMTWSHJEP-OSMBCOQSSA-N 0 3 297.402 2.656 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2CCCC)CC1 ZINC000068708580 346865748 /nfs/dbraw/zinc/86/57/48/346865748.db2.gz QZVDYNZJOBICEU-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN N#CCSCCCN1CCC[C@H](c2ccccn2)C1 ZINC000595500399 349643553 /nfs/dbraw/zinc/64/35/53/349643553.db2.gz IZRVEUVCKVEWBN-AWEZNQCLSA-N 0 3 275.421 2.908 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CCc2ccccc2)c(F)c1 ZINC000273136945 192054442 /nfs/dbraw/zinc/05/44/42/192054442.db2.gz NQRLXONLQCMJNQ-KRWDZBQOSA-N 0 3 298.361 2.781 20 30 CFEDHN CO[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000595551164 349657293 /nfs/dbraw/zinc/65/72/93/349657293.db2.gz VUDMDPZVEAYTEF-XOKHGSTOSA-N 0 3 288.391 2.603 20 30 CFEDHN CC[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@H](CC)O1 ZINC000595548933 349657333 /nfs/dbraw/zinc/65/73/33/349657333.db2.gz BGWQLZQHQZORDW-CALCHBBNSA-N 0 3 272.392 2.990 20 30 CFEDHN Cc1cc(CN(C)[C@@H](CO)Cc2ccccc2)ccc1C#N ZINC000595592777 349668230 /nfs/dbraw/zinc/66/82/30/349668230.db2.gz PXAPFBFQKNXCHJ-LJQANCHMSA-N 0 3 294.398 2.902 20 30 CFEDHN CC[C@@H](C)N(CC)CC(=O)Nc1sccc1C#N ZINC000595592037 349667085 /nfs/dbraw/zinc/66/70/85/349667085.db2.gz AMVPEUNUPNRLBX-SNVBAGLBSA-N 0 3 265.382 2.679 20 30 CFEDHN N#CC[C@@H]1CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000595614268 349677102 /nfs/dbraw/zinc/67/71/02/349677102.db2.gz JNZOHJHEEVFKEJ-AWEZNQCLSA-N 0 3 296.374 2.905 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000595614438 349677747 /nfs/dbraw/zinc/67/77/47/349677747.db2.gz HZBKVXYXTLEJLT-HNNXBMFYSA-N 0 3 280.375 2.998 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@@](C)(C2CC2)C1 ZINC000595618285 349678856 /nfs/dbraw/zinc/67/88/56/349678856.db2.gz NDNDTLGLLZGHQO-OAHLLOKOSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCN(Cc1ccc(C#N)cc1C)[C@H](C)COC ZINC000595639688 349685574 /nfs/dbraw/zinc/68/55/74/349685574.db2.gz WJAVOUIAOHCJTE-CQSZACIVSA-N 0 3 258.365 2.890 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@H](O)CCc2ccccc2)C1 ZINC000595621098 349679419 /nfs/dbraw/zinc/67/94/19/349679419.db2.gz TUVJJYBVAFNRGB-IAGOWNOFSA-N 0 3 272.392 2.606 20 30 CFEDHN N#CC[C@H]1CCCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623211 349680634 /nfs/dbraw/zinc/68/06/34/349680634.db2.gz JXCIRQVWLDOKBS-MSOLQXFVSA-N 0 3 283.419 2.887 20 30 CFEDHN CC[C@@H](CNCc1cccc(OCCCC#N)c1)OC ZINC000353098981 529490655 /nfs/dbraw/zinc/49/06/55/529490655.db2.gz WMCWPZTYNWFGCU-HNNXBMFYSA-N 0 3 276.380 2.884 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000351963791 529491469 /nfs/dbraw/zinc/49/14/69/529491469.db2.gz HLLHXLNCXHHWQH-INIZCTEOSA-N 0 3 289.379 2.505 20 30 CFEDHN CO[C@@H](CNC(C)(C)c1cccc(C#N)c1)C1CC1 ZINC000595633673 349684013 /nfs/dbraw/zinc/68/40/13/349684013.db2.gz VGWJVMBOWOVPNJ-HNNXBMFYSA-N 0 3 258.365 2.808 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1[C@H](C)CO ZINC000595679489 349698462 /nfs/dbraw/zinc/69/84/62/349698462.db2.gz WNGIVQAOOLIZSE-CJNGLKHVSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000595670323 349695593 /nfs/dbraw/zinc/69/55/93/349695593.db2.gz BKONDUNFSNMTKI-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000595671811 349695959 /nfs/dbraw/zinc/69/59/59/349695959.db2.gz WAPDASJEBIFUCY-PBHICJAKSA-N 0 3 297.402 2.794 20 30 CFEDHN CC1(C)CCN(CC(=O)NC2(C#N)CCC2)CC(C)(C)C1 ZINC000595747729 349721698 /nfs/dbraw/zinc/72/16/98/349721698.db2.gz DAOCHOACEJWWRC-UHFFFAOYSA-N 0 3 291.439 2.697 20 30 CFEDHN C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)[C@H]1CCO ZINC000595703519 349710266 /nfs/dbraw/zinc/71/02/66/349710266.db2.gz TTWJQASOSIRQBS-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H]1CCCN(Cc2cccc(C#N)c2F)[C@H]1CCO ZINC000595706067 349710995 /nfs/dbraw/zinc/71/09/95/349710995.db2.gz XDVLREQDBYZXKI-WFASDCNBSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000595830571 349744991 /nfs/dbraw/zinc/74/49/91/349744991.db2.gz FPCVJRMMRTUXET-HOCLYGCPSA-N 0 3 297.402 2.564 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000595764372 349726385 /nfs/dbraw/zinc/72/63/85/349726385.db2.gz ASAAPHNAAAPNGA-CQSZACIVSA-N 0 3 291.782 2.928 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595785537 349732920 /nfs/dbraw/zinc/73/29/20/349732920.db2.gz XOIVMLFZRHBJJB-HUUCEWRRSA-N 0 3 299.418 2.685 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)nc1 ZINC000595787484 349733752 /nfs/dbraw/zinc/73/37/52/349733752.db2.gz JGFFCKBORGZGHK-DOTOQJQBSA-N 0 3 285.391 2.734 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)CC1=CCSC1 ZINC000595888825 349761526 /nfs/dbraw/zinc/76/15/26/349761526.db2.gz OYEGQJMYQLRPLS-UHFFFAOYSA-N 0 3 258.390 2.706 20 30 CFEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H]1CC1(C)C ZINC000595913830 349767206 /nfs/dbraw/zinc/76/72/06/349767206.db2.gz VMXLMCOMRXNBEG-JSGCOSHPSA-N 0 3 285.391 2.863 20 30 CFEDHN N#Cc1cnccc1CN(CCC1CC1)CC1CC1 ZINC000595870963 349758481 /nfs/dbraw/zinc/75/84/81/349758481.db2.gz IJJPZZGVNLUFNL-UHFFFAOYSA-N 0 3 255.365 2.965 20 30 CFEDHN CCc1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1 ZINC000347066497 529631187 /nfs/dbraw/zinc/63/11/87/529631187.db2.gz JXHPMMIZNXGDDQ-GFCCVEGCSA-N 0 3 256.349 2.900 20 30 CFEDHN CC(C)(C#N)c1ccc(CNCCOCCF)cc1 ZINC000596057551 349783969 /nfs/dbraw/zinc/78/39/69/349783969.db2.gz UATAREMTWVESOM-UHFFFAOYSA-N 0 3 264.344 2.563 20 30 CFEDHN Cn1ncc(C#N)c1NC[C@H](c1ccccc1)N1CCCC1 ZINC000596052725 349781962 /nfs/dbraw/zinc/78/19/62/349781962.db2.gz IRVWCHVSNGEHBR-MRXNPFEDSA-N 0 3 295.390 2.541 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@H](Cc1ccccc1)N(C)C ZINC000596055585 349782906 /nfs/dbraw/zinc/78/29/06/349782906.db2.gz RTRABRKIUZTASH-KRWDZBQOSA-N 0 3 294.402 2.847 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC1(C)C ZINC000595915477 349768828 /nfs/dbraw/zinc/76/88/28/349768828.db2.gz ZRQHBHXTCDDOPW-KGLIPLIRSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](N)CCSC)CCCC1 ZINC000595938339 349770781 /nfs/dbraw/zinc/77/07/81/349770781.db2.gz OLHKWHLWGIOZHX-CYBMUJFWSA-N 0 3 284.469 2.710 20 30 CFEDHN C[C@H](C(=O)NCC1(C#N)CCCCC1)[C@@H](N)c1ccccc1 ZINC000595942677 349772318 /nfs/dbraw/zinc/77/23/18/349772318.db2.gz GJUYLWTVLZFWGH-GOEBONIOSA-N 0 3 299.418 2.913 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1cc(F)ccc1F ZINC000354666065 529656931 /nfs/dbraw/zinc/65/69/31/529656931.db2.gz ZOOBIQPHVBVINK-PRHODGIISA-N 0 3 252.264 2.692 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000126585119 187249486 /nfs/dbraw/zinc/24/94/86/187249486.db2.gz ILDAHBSAYLZXCT-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H](C)[C@H](C)C1 ZINC000072873791 346945459 /nfs/dbraw/zinc/94/54/59/346945459.db2.gz WUKQCNRCGYEUBV-OAGGEKHMSA-N 0 3 299.418 2.910 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231217298 781923288 /nfs/dbraw/zinc/92/32/88/781923288.db2.gz PPCXRRAMRXNFBX-JKSUJKDBSA-N 0 3 296.455 2.548 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)CCN(C)C1CC1 ZINC000351953807 529822836 /nfs/dbraw/zinc/82/28/36/529822836.db2.gz LWGIIHRKXDOQHP-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN CO[C@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC000295073100 199331556 /nfs/dbraw/zinc/33/15/56/199331556.db2.gz RGEXKMLVHXLPBR-HNNXBMFYSA-N 0 3 258.365 2.805 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(C#N)cc1F ZINC000596307626 349858941 /nfs/dbraw/zinc/85/89/41/349858941.db2.gz NNWQCUWKCNFGMP-GFCCVEGCSA-N 0 3 261.344 2.982 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H]2CCN(C(C)(C)C)C2)n1 ZINC000596337660 349868824 /nfs/dbraw/zinc/86/88/24/349868824.db2.gz ZNVHHZOLSSBXJJ-ZDUSSCGKSA-N 0 3 258.369 2.546 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@H]2CC)CC1 ZINC000074130034 346999242 /nfs/dbraw/zinc/99/92/42/346999242.db2.gz RLBSZWSNQRDRLG-GDBMZVCRSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000596441643 349904534 /nfs/dbraw/zinc/90/45/34/349904534.db2.gz PXHVFCDFHIQGGI-CQSZACIVSA-N 0 3 286.379 2.553 20 30 CFEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000075022334 347048132 /nfs/dbraw/zinc/04/81/32/347048132.db2.gz INICAGGOVZDSSB-CABCVRRESA-N 0 3 291.439 2.792 20 30 CFEDHN CN1CC=C(CNC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000329221074 530047118 /nfs/dbraw/zinc/04/71/18/530047118.db2.gz UHQCXEDVRPUXQP-UHFFFAOYSA-N 0 3 277.368 2.539 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNc1ncc(C#N)cc1F ZINC000413269232 530051713 /nfs/dbraw/zinc/05/17/13/530051713.db2.gz PJFXSJSPYLFFLU-CYBMUJFWSA-N 0 3 276.359 2.625 20 30 CFEDHN Cc1nsc(N[C@@H](C)CN2CCC(C)CC2)c1C#N ZINC000596486976 349917429 /nfs/dbraw/zinc/91/74/29/349917429.db2.gz CPBOODVWRZIEJV-NSHDSACASA-N 0 3 278.425 2.856 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CCC(C3CC3)CC2)CC1 ZINC000668369186 539430522 /nfs/dbraw/zinc/43/05/22/539430522.db2.gz PXLJMNYABJRAAK-UHFFFAOYSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000668368475 539430628 /nfs/dbraw/zinc/43/06/28/539430628.db2.gz AFECRVIALIJCTA-HOTGVXAUSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCN(C)CCCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000295098912 199343605 /nfs/dbraw/zinc/34/36/05/199343605.db2.gz VSPSXHIYWRVSFI-INIZCTEOSA-N 0 3 294.826 2.572 20 30 CFEDHN CC[C@@H](CNc1nccc(C)c1C#N)N1CCCC1 ZINC000273275431 192096121 /nfs/dbraw/zinc/09/61/21/192096121.db2.gz CHMFTWUAMXXLPU-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN C=C(C)CN1CCC(NCc2ccc(COC)o2)CC1 ZINC000127564673 187315555 /nfs/dbraw/zinc/31/55/55/187315555.db2.gz LDAZROSSCOULCH-UHFFFAOYSA-N 0 3 278.396 2.556 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CC)C1 ZINC000042145645 346361679 /nfs/dbraw/zinc/36/16/79/346361679.db2.gz GCGIHQGDWXDYFZ-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000042145474 346361956 /nfs/dbraw/zinc/36/19/56/346361956.db2.gz UFWLNHLBJOSBGS-LZWOXQAQSA-N 0 3 279.428 2.551 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cscn1 ZINC001085149984 781926591 /nfs/dbraw/zinc/92/65/91/781926591.db2.gz NLRVWDWPXXVUGE-GHMZBOCLSA-N 0 3 299.827 2.526 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC(=O)NCC2CC2)C1 ZINC000328854490 539545369 /nfs/dbraw/zinc/54/53/69/539545369.db2.gz XMEOVXLHLCDJIE-BVUBDWEXSA-N 0 3 294.439 2.614 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000596675537 349973012 /nfs/dbraw/zinc/97/30/12/349973012.db2.gz WAIPBCJNISSQPR-CHWSQXEVSA-N 0 3 291.420 2.551 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000052660035 346526721 /nfs/dbraw/zinc/52/67/21/346526721.db2.gz RAVRGJYXTYPHMW-LJQANCHMSA-N 0 3 291.398 2.922 20 30 CFEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000052795435 346528527 /nfs/dbraw/zinc/52/85/27/346528527.db2.gz OZORLRBBESNITR-CQSZACIVSA-N 0 3 272.392 2.589 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000057155583 346619655 /nfs/dbraw/zinc/61/96/55/346619655.db2.gz HSNBELPEPHECSW-OAHLLOKOSA-N 0 3 284.403 2.517 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000060479226 346666256 /nfs/dbraw/zinc/66/62/56/346666256.db2.gz MNRDCKZBVLWACD-HNNXBMFYSA-N 0 3 296.374 2.540 20 30 CFEDHN CN(CCNC(=O)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000057398202 346626453 /nfs/dbraw/zinc/62/64/53/346626453.db2.gz FMWWUCKZMRYFNV-UHFFFAOYSA-N 0 3 299.418 2.709 20 30 CFEDHN C=CCNC(=O)CN(CCc1ccccc1)C1CCCC1 ZINC000063754873 346709659 /nfs/dbraw/zinc/70/96/59/346709659.db2.gz CSXXVHDBCATTLT-UHFFFAOYSA-N 0 3 286.419 2.776 20 30 CFEDHN N#Cc1nc(N2CC[C@H](N3CCCCC3)C2)ccc1Cl ZINC000067372577 346799673 /nfs/dbraw/zinc/79/96/73/346799673.db2.gz BWOZRUWAEIIMHT-LBPRGKRZSA-N 0 3 290.798 2.671 20 30 CFEDHN C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000076110351 347120572 /nfs/dbraw/zinc/12/05/72/347120572.db2.gz VUPFPPBDWHPKKR-VXGBXAGGSA-N 0 3 282.347 2.696 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000076738160 347151139 /nfs/dbraw/zinc/15/11/39/347151139.db2.gz CEAPWTUCAHLSNI-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN CN(CCCSCC#N)Cc1cccc(C#N)c1 ZINC000080626386 260317263 /nfs/dbraw/zinc/31/72/63/260317263.db2.gz KVKBBXBECTXUNL-UHFFFAOYSA-N 0 3 259.378 2.637 20 30 CFEDHN COC(=O)c1ccc(CN(C)CCCSCC#N)cc1 ZINC000080722186 260318611 /nfs/dbraw/zinc/31/86/11/260318611.db2.gz TTWOJPUWIRKVRJ-UHFFFAOYSA-N 0 3 292.404 2.552 20 30 CFEDHN COCC#CCN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000677133409 539556392 /nfs/dbraw/zinc/55/63/92/539556392.db2.gz USWJDTUFTANVDQ-HOTGVXAUSA-N 0 3 257.377 2.823 20 30 CFEDHN CN(CC[C@@H]1CCCCN1C)c1snc(Cl)c1C#N ZINC000078455159 347253613 /nfs/dbraw/zinc/25/36/13/347253613.db2.gz REQQMKARRHROSM-JTQLQIEISA-N 0 3 298.843 2.979 20 30 CFEDHN CC(C(=O)Nc1ccc(CC#N)cc1)C(F)(F)F ZINC000079319225 347298437 /nfs/dbraw/zinc/29/84/37/347298437.db2.gz YWADBGXQSWVHOQ-QMMMGPOBSA-N 0 3 256.227 2.890 20 30 CFEDHN Cc1cc(C)c(C#N)c(NCCN2CCC[C@@H](C)C2)n1 ZINC000079914637 347331529 /nfs/dbraw/zinc/33/15/29/347331529.db2.gz HGQAZCNRXUKCSN-GFCCVEGCSA-N 0 3 272.396 2.714 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)C1CCC(CO)CC1 ZINC000089924685 347531414 /nfs/dbraw/zinc/53/14/14/347531414.db2.gz WZNVPIJIEWHYGX-UHFFFAOYSA-N 0 3 275.367 2.660 20 30 CFEDHN COc1ccc([C@@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000090340147 347547151 /nfs/dbraw/zinc/54/71/51/347547151.db2.gz VCOZNMRWWOWJSA-GFCCVEGCSA-N 0 3 267.332 2.813 20 30 CFEDHN C[C@@H]1C[C@H](N(C)c2snc(Cl)c2C#N)CCN1C ZINC000092656970 347637596 /nfs/dbraw/zinc/63/75/96/347637596.db2.gz SMRRFJDJVFWUHT-RKDXNWHRSA-N 0 3 284.816 2.587 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1sc(CCOC)nc1C ZINC000092767491 347646861 /nfs/dbraw/zinc/64/68/61/347646861.db2.gz SWRVKZCRDSKYKZ-ZJUUUORDSA-N 0 3 254.399 2.866 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000092073684 347609311 /nfs/dbraw/zinc/60/93/11/347609311.db2.gz SXEPETUMHULLQO-GFCCVEGCSA-N 0 3 272.377 2.722 20 30 CFEDHN N#CCN1CCC(Nc2ccnc3ccccc32)CC1 ZINC000110824755 347749715 /nfs/dbraw/zinc/74/97/15/347749715.db2.gz LEZCHKXLSAYUNH-UHFFFAOYSA-N 0 3 266.348 2.635 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CCCCC2)s1 ZINC000122144399 347814816 /nfs/dbraw/zinc/81/48/16/347814816.db2.gz OVFIPMWPKPANMQ-UHFFFAOYSA-N 0 3 264.394 2.652 20 30 CFEDHN C=CCC1(NCc2ccc3c(n2)CCC3)CCOCC1 ZINC000668551546 539571978 /nfs/dbraw/zinc/57/19/78/539571978.db2.gz QGGSMOLBBISPFL-UHFFFAOYSA-N 0 3 272.392 2.785 20 30 CFEDHN CCCCN(C)CCNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000127076374 347839230 /nfs/dbraw/zinc/83/92/30/347839230.db2.gz DDJLNMQMNNSVOZ-UHFFFAOYSA-N 0 3 293.798 2.673 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCC(C)C ZINC000126684699 347836636 /nfs/dbraw/zinc/83/66/36/347836636.db2.gz DNORXAHYNHYJFK-CQSZACIVSA-N 0 3 254.418 2.777 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1nc(C)ccc1C#N ZINC000161437049 348024410 /nfs/dbraw/zinc/02/44/10/348024410.db2.gz HUVYAGISJOODRR-HNNXBMFYSA-N 0 3 272.396 2.938 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCN(CC(C)C)CC1 ZINC000165474097 348040236 /nfs/dbraw/zinc/04/02/36/348040236.db2.gz YZQRJKQMEWBWEC-UHFFFAOYSA-N 0 3 271.408 2.640 20 30 CFEDHN CCS[C@H]1CCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000300649998 348370089 /nfs/dbraw/zinc/37/00/89/348370089.db2.gz HUQBLCDPNPTHNI-KBPBESRZSA-N 0 3 261.394 2.717 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCSC2)cc1Cl ZINC000309561242 348407296 /nfs/dbraw/zinc/40/72/96/348407296.db2.gz JIWQSYNJBDNRDH-LLVKDONJSA-N 0 3 252.770 2.807 20 30 CFEDHN COc1cc(CN[C@@H]2CCC(F)(F)C2)ccc1C#N ZINC000311618087 348413760 /nfs/dbraw/zinc/41/37/60/348413760.db2.gz HCAHQFGOJLNSPO-GFCCVEGCSA-N 0 3 266.291 2.844 20 30 CFEDHN CN(C)[C@H](CNc1ncc(C#N)cc1F)c1cccs1 ZINC000413026913 233006569 /nfs/dbraw/zinc/00/65/69/233006569.db2.gz KIRVUNCNBSMPJP-GFCCVEGCSA-N 0 3 290.367 2.869 20 30 CFEDHN C=CCN1CCC(NC(=O)CC(C)(C)C2CC2)CC1 ZINC000339999324 348454903 /nfs/dbraw/zinc/45/49/03/348454903.db2.gz LIRKFZBKXOOGNX-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000354023436 348500472 /nfs/dbraw/zinc/50/04/72/348500472.db2.gz CBUWBCJBIIKJJM-CQSZACIVSA-N 0 3 264.413 2.555 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000383089404 348530755 /nfs/dbraw/zinc/53/07/55/348530755.db2.gz POTWWXXLCIFVCK-WBVHZDCISA-N 0 3 299.418 2.659 20 30 CFEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@@H]1CCCOC1 ZINC000402830245 348583431 /nfs/dbraw/zinc/58/34/31/348583431.db2.gz LAPHFWKBLFIHRH-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C[C@H]1SCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000404031011 348589449 /nfs/dbraw/zinc/58/94/49/348589449.db2.gz XAWACLDNCRCKLW-RNCFNFMXSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)o2)CCN(Cc2ccccc2)C1 ZINC000406002852 348599003 /nfs/dbraw/zinc/59/90/03/348599003.db2.gz OCOKJMLZPCGVDU-GOSISDBHSA-N 0 3 295.386 2.905 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1ccc(CC#N)cc1)OC ZINC000399037272 348568351 /nfs/dbraw/zinc/56/83/51/348568351.db2.gz PJJQXWMZVBFDQM-CJNGLKHVSA-N 0 3 260.381 2.903 20 30 CFEDHN N#CCCC1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000584780074 348714500 /nfs/dbraw/zinc/71/45/00/348714500.db2.gz BDQKWVDIGXEXDF-MRXNPFEDSA-N 0 3 291.439 2.826 20 30 CFEDHN COc1cc(C#N)ccc1OCc1ccc2c(c1)CNCC2 ZINC000584722337 348709236 /nfs/dbraw/zinc/70/92/36/348709236.db2.gz LAHAKNZAVAUKFS-UHFFFAOYSA-N 0 3 294.354 2.792 20 30 CFEDHN N#CCCCCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000588157297 348774568 /nfs/dbraw/zinc/77/45/68/348774568.db2.gz BVJWYLABGZEWGV-OAHLLOKOSA-N 0 3 277.412 2.547 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000273478196 192167451 /nfs/dbraw/zinc/16/74/51/192167451.db2.gz KQTXCGMNTJJIKF-HNNXBMFYSA-N 0 3 291.391 2.669 20 30 CFEDHN COC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000589193467 348818355 /nfs/dbraw/zinc/81/83/55/348818355.db2.gz ITZHRAPHYNADPZ-ZFWWWQNUSA-N 0 3 272.348 2.645 20 30 CFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCCCCC#N ZINC000588951512 348805502 /nfs/dbraw/zinc/80/55/02/348805502.db2.gz AXUSEDVKVCQCGM-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN N#CCCC[C@H](NCCn1ccccc1=O)c1ccccc1 ZINC000590121823 348875806 /nfs/dbraw/zinc/87/58/06/348875806.db2.gz ZQYVRRLMBMKPEY-KRWDZBQOSA-N 0 3 295.386 2.873 20 30 CFEDHN COCCN(CCOCCC#N)Cc1ccc(C)cc1C ZINC000590155064 348880299 /nfs/dbraw/zinc/88/02/99/348880299.db2.gz USRUVICJGQJGLT-UHFFFAOYSA-N 0 3 290.407 2.682 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)CC1(C#N)CC1)N(C)C ZINC000590336652 348894703 /nfs/dbraw/zinc/89/47/03/348894703.db2.gz FVGIKUSZHCGDLA-WMLDXEAASA-N 0 3 299.418 2.796 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCCC2 ZINC000590739056 348940376 /nfs/dbraw/zinc/94/03/76/348940376.db2.gz KCNRQTDWRGPPIR-CVEARBPZSA-N 0 3 285.391 2.781 20 30 CFEDHN CC(C)O[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756642 348943985 /nfs/dbraw/zinc/94/39/85/348943985.db2.gz JURGSFHPTZAFOK-LSDHHAIUSA-N 0 3 273.380 2.635 20 30 CFEDHN C=C[C@@H](C(=O)OC)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000590762929 348944902 /nfs/dbraw/zinc/94/49/02/348944902.db2.gz ODZQOIDIINBXFY-AWEZNQCLSA-N 0 3 296.455 2.546 20 30 CFEDHN C[C@H](Cc1cnccn1)NCc1ccc(C#N)c(Cl)c1 ZINC000590778618 348948122 /nfs/dbraw/zinc/94/81/22/348948122.db2.gz JGDHFZBLFFEYRP-LLVKDONJSA-N 0 3 286.766 2.722 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CC2(CC2)C1)C(C)C ZINC000668683439 539693656 /nfs/dbraw/zinc/69/36/56/539693656.db2.gz WFFNGTJNUWFJEL-INIZCTEOSA-N 0 3 290.451 2.991 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 ZINC000172605251 539699073 /nfs/dbraw/zinc/69/90/73/539699073.db2.gz INFDPYOWZOOLEA-ZWKOTPCHSA-N 0 3 298.430 2.865 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)cc1F ZINC000591733617 349041286 /nfs/dbraw/zinc/04/12/86/349041286.db2.gz AXSGPTZAQYFNJZ-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1nc(C(C)(C)C)ccc1C#N ZINC000591464246 349025913 /nfs/dbraw/zinc/02/59/13/349025913.db2.gz YQRAQNKGWDSDIQ-CQSZACIVSA-N 0 3 286.423 2.781 20 30 CFEDHN N#Cc1ccc(CNCCN2Cc3ccccc3C2)cc1F ZINC000591500941 349027596 /nfs/dbraw/zinc/02/75/96/349027596.db2.gz NDASFZVIJYWFBB-UHFFFAOYSA-N 0 3 295.361 2.803 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3ccccc3n2C)CC1 ZINC000592068451 349078272 /nfs/dbraw/zinc/07/82/72/349078272.db2.gz LFGACHGLLLRSOZ-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000592068498 349078814 /nfs/dbraw/zinc/07/88/14/349078814.db2.gz ZTZKKNDAFSJSMR-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN(CC3=CCCC3)C2)nc1 ZINC000592122502 349085926 /nfs/dbraw/zinc/08/59/26/349085926.db2.gz LDQHWPSHTUSZER-HNNXBMFYSA-N 0 3 269.348 2.517 20 30 CFEDHN CC(C)(C)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592144953 349090112 /nfs/dbraw/zinc/09/01/12/349090112.db2.gz KYDSIQTVLCYKJK-KRWDZBQOSA-N 0 3 272.392 2.835 20 30 CFEDHN N#CC1(CCCN2CCOC[C@H]2C2CCC2)CCOCC1 ZINC000592155924 349092272 /nfs/dbraw/zinc/09/22/72/349092272.db2.gz UXYIOIMDCJNXLM-INIZCTEOSA-N 0 3 292.423 2.588 20 30 CFEDHN C=CCOCCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158606 349093925 /nfs/dbraw/zinc/09/39/25/349093925.db2.gz HFMKZMBWTUDURN-UHFFFAOYSA-N 0 3 283.412 2.633 20 30 CFEDHN C[C@@H]1CN(CCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592195748 349097291 /nfs/dbraw/zinc/09/72/91/349097291.db2.gz USBIGOSLFZZLKJ-CYBMUJFWSA-N 0 3 250.386 2.960 20 30 CFEDHN CCCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000592212862 349101831 /nfs/dbraw/zinc/10/18/31/349101831.db2.gz NYWJUADAIKODQZ-OAHLLOKOSA-N 0 3 286.379 2.506 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2CCCCC2)CC1 ZINC000592303762 349104619 /nfs/dbraw/zinc/10/46/19/349104619.db2.gz NYZHOPVOEMSFOF-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN CCc1cc(N2CC[C@](O)(CC#N)C2)c2ccccc2n1 ZINC000591975995 349068439 /nfs/dbraw/zinc/06/84/39/349068439.db2.gz RUEGKKHLEHIWBL-QGZVFWFLSA-N 0 3 281.359 2.652 20 30 CFEDHN C=CCSCCNCc1cn(C)nc1-c1ccc(C)o1 ZINC000592363180 349109585 /nfs/dbraw/zinc/10/95/85/349109585.db2.gz JVJGRVMJUTWRSV-UHFFFAOYSA-N 0 3 291.420 2.997 20 30 CFEDHN N#CCc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000592391477 349114566 /nfs/dbraw/zinc/11/45/66/349114566.db2.gz XRCUBIYSXPHKDL-HZPDHXFCSA-N 0 3 253.349 2.925 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592936524 349178233 /nfs/dbraw/zinc/17/82/33/349178233.db2.gz RMIMEEALTRTKPA-BXKDBHETSA-N 0 3 296.729 2.539 20 30 CFEDHN Cc1cncc(CCN(C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000593034822 349190444 /nfs/dbraw/zinc/19/04/44/349190444.db2.gz JOUBXAZTPOEVFX-AWEZNQCLSA-N 0 3 280.375 2.892 20 30 CFEDHN CN(CCN1CCCCC1)Cc1ccc(F)c(C#N)c1 ZINC000593111738 349211245 /nfs/dbraw/zinc/21/12/45/349211245.db2.gz IAZZIBDVXKIVKY-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593071440 349201256 /nfs/dbraw/zinc/20/12/56/349201256.db2.gz XJTXLPXBGJGKEE-UKRRQHHQSA-N 0 3 289.335 2.514 20 30 CFEDHN C[C@@H](NC1(C2CCC2)CC1)C(=O)Nc1ccccc1C#N ZINC000593081592 349203984 /nfs/dbraw/zinc/20/39/84/349203984.db2.gz FHKOLIVHPGSPNU-GFCCVEGCSA-N 0 3 283.375 2.808 20 30 CFEDHN CN1CCN(CCCCC#N)[C@H](Cc2ccccc2)C1 ZINC000593088557 349205662 /nfs/dbraw/zinc/20/56/62/349205662.db2.gz GYUWOWVWPDTYJD-QGZVFWFLSA-N 0 3 271.408 2.539 20 30 CFEDHN CC[C@H](C#N)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000593559724 349292740 /nfs/dbraw/zinc/29/27/40/349292740.db2.gz BSAZKQVFHVCRFQ-CYBMUJFWSA-N 0 3 259.353 2.545 20 30 CFEDHN C=CC[C@H]1CC[C@@H](N2CCC[C@@H]2C(=O)OCC)C1 ZINC000593617022 349299589 /nfs/dbraw/zinc/29/95/89/349299589.db2.gz JRDSJJDBMIPTKL-BFHYXJOUSA-N 0 3 251.370 2.759 20 30 CFEDHN C[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)N1CCCCCC1 ZINC000593365627 349254692 /nfs/dbraw/zinc/25/46/92/349254692.db2.gz LNKAGMHZXWJEPY-AWEZNQCLSA-N 0 3 297.402 2.665 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000593828616 349330138 /nfs/dbraw/zinc/33/01/38/349330138.db2.gz NQCYTOZMIAUTGS-OCCSQVGLSA-N 0 3 274.339 2.909 20 30 CFEDHN CCC(C#N)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593848051 349331506 /nfs/dbraw/zinc/33/15/06/349331506.db2.gz WSYWUHPBDARINC-QWHCGFSZSA-N 0 3 294.395 2.649 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccc(C#N)cn1 ZINC000593965322 349341471 /nfs/dbraw/zinc/34/14/71/349341471.db2.gz DEGGKHDEEMEJFP-JKSUJKDBSA-N 0 3 287.407 2.979 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCCC#N ZINC000594004788 349351513 /nfs/dbraw/zinc/35/15/13/349351513.db2.gz CXFUSDKBWJNWCX-DOTOQJQBSA-N 0 3 299.418 2.707 20 30 CFEDHN CCC(C)(C)N1CCN(Cc2ccccc2C#N)CC1 ZINC000594020319 349355864 /nfs/dbraw/zinc/35/58/64/349355864.db2.gz HLNOWDYBSLTFLH-UHFFFAOYSA-N 0 3 271.408 2.864 20 30 CFEDHN CC[C@@H](C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000593684572 349309228 /nfs/dbraw/zinc/30/92/28/349309228.db2.gz CYZZFDBMLAGNBB-FZMZJTMJSA-N 0 3 293.798 2.609 20 30 CFEDHN C[C@H](CCO)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000593695237 349311194 /nfs/dbraw/zinc/31/11/94/349311194.db2.gz YYDSJIALXYHOBA-SNVBAGLBSA-N 0 3 286.297 2.780 20 30 CFEDHN CCC(C#N)C(=O)N=c1cc(C)n(C2CCCCC2)[nH]1 ZINC000593715010 349314059 /nfs/dbraw/zinc/31/40/59/349314059.db2.gz FWIPFMFDAADOGK-LBPRGKRZSA-N 0 3 274.368 2.607 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H](CO)CCF ZINC000593719430 349314500 /nfs/dbraw/zinc/31/45/00/349314500.db2.gz XVXYITUZBPZLQB-ZBFHGGJFSA-N 0 3 276.355 2.636 20 30 CFEDHN C[C@H](O)CN(Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000594065683 349367892 /nfs/dbraw/zinc/36/78/92/349367892.db2.gz SRGHZRCADSJUBC-ZDUSSCGKSA-N 0 3 272.392 2.833 20 30 CFEDHN CCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000594438698 349422556 /nfs/dbraw/zinc/42/25/56/349422556.db2.gz VSZGFZALFSKWTQ-CQSZACIVSA-N 0 3 277.343 2.738 20 30 CFEDHN CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594439319 349422994 /nfs/dbraw/zinc/42/29/94/349422994.db2.gz PXAGSAHVIBLURC-HOTGVXAUSA-N 0 3 287.407 2.535 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2ncccc2c1 ZINC000594441876 349423421 /nfs/dbraw/zinc/42/34/21/349423421.db2.gz XNTJFUXIZNSWTP-AWEZNQCLSA-N 0 3 282.347 2.585 20 30 CFEDHN CC(C)CC[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594443569 349423432 /nfs/dbraw/zinc/42/34/32/349423432.db2.gz RPPXXWBHIOTDEB-CABCVRRESA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1nc2ccsc2s1 ZINC000594446160 349424250 /nfs/dbraw/zinc/42/42/50/349424250.db2.gz QVGXSPZHUVGQDC-QMMMGPOBSA-N 0 3 294.405 2.708 20 30 CFEDHN CC[C@H]1CCCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594446267 349424349 /nfs/dbraw/zinc/42/43/49/349424349.db2.gz RPEABGJQLZLYTA-UONOGXRCSA-N 0 3 265.401 2.579 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2ccccc2n1 ZINC000594446831 349424463 /nfs/dbraw/zinc/42/44/63/349424463.db2.gz XPIMXIHVEUHGFT-CYBMUJFWSA-N 0 3 282.347 2.585 20 30 CFEDHN CCS[C@@H]1CCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594446753 349424657 /nfs/dbraw/zinc/42/46/57/349424657.db2.gz XGNNVNRMNNRPND-MCIONIFRSA-N 0 3 297.468 2.578 20 30 CFEDHN CCC(CC)(CC)CNC(=O)[C@H](N)CCCCC#N ZINC000594445998 349424666 /nfs/dbraw/zinc/42/46/66/349424666.db2.gz OOSUHVLKXAJFJP-CYBMUJFWSA-N 0 3 267.417 2.730 20 30 CFEDHN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H](N)CCCCC#N)C1 ZINC000594445255 349424748 /nfs/dbraw/zinc/42/47/48/349424748.db2.gz CDMGBOVCJLQCTO-BFHYXJOUSA-N 0 3 297.468 2.530 20 30 CFEDHN CCS[C@@H]1CCC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594446755 349424909 /nfs/dbraw/zinc/42/49/09/349424909.db2.gz XGNNVNRMNNRPND-MJBXVCDLSA-N 0 3 297.468 2.578 20 30 CFEDHN C[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)CCc2ccccc21 ZINC000594451714 349425701 /nfs/dbraw/zinc/42/57/01/349425701.db2.gz BTQXLEGULBBFCO-YOEHRIQHSA-N 0 3 299.418 2.586 20 30 CFEDHN C[C@H](CCNC(=O)[C@@H](N)CCCCC#N)CC(C)(C)C ZINC000594456609 349426116 /nfs/dbraw/zinc/42/61/16/349426116.db2.gz RXQDWFYQFQPYNG-KGLIPLIRSA-N 0 3 281.444 2.976 20 30 CFEDHN CC(C)C1(C)CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594457380 349426292 /nfs/dbraw/zinc/42/62/92/349426292.db2.gz ZGLBDNAXGBHBDM-AWEZNQCLSA-N 0 3 279.428 2.682 20 30 CFEDHN C[C@@H](CC#N)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000597114823 350031725 /nfs/dbraw/zinc/03/17/25/350031725.db2.gz LLJNQPGVOOTODU-DOTOQJQBSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000668739981 539744314 /nfs/dbraw/zinc/74/43/14/539744314.db2.gz QNFMLHVCRBZBOA-WMLDXEAASA-N 0 3 275.392 2.702 20 30 CFEDHN COC(=O)c1ccc(CNCC2(CC#N)CC2)cc1Cl ZINC000597116803 350031931 /nfs/dbraw/zinc/03/19/31/350031931.db2.gz IMFVEYBDOGCBGX-UHFFFAOYSA-N 0 3 292.766 2.910 20 30 CFEDHN N#CC1(c2ccc(CN3CCN(C4CCC4)CC3)cc2)CC1 ZINC000597009336 350015343 /nfs/dbraw/zinc/01/53/43/350015343.db2.gz JQPHVZNLXRTLNC-UHFFFAOYSA-N 0 3 295.430 2.912 20 30 CFEDHN C[C@]1(O)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597013423 350016060 /nfs/dbraw/zinc/01/60/60/350016060.db2.gz JNNHNCMNZFBXHL-INIZCTEOSA-N 0 3 270.376 2.589 20 30 CFEDHN C[C@@]1(O)CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597013426 350016198 /nfs/dbraw/zinc/01/61/98/350016198.db2.gz JNNHNCMNZFBXHL-MRXNPFEDSA-N 0 3 270.376 2.589 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000597120624 350032541 /nfs/dbraw/zinc/03/25/41/350032541.db2.gz IBMUONAJGLBWLY-HIFRSBDPSA-N 0 3 276.767 2.869 20 30 CFEDHN C=CCNC(=O)CNC(C)(C)c1ccc(C(C)C)cc1 ZINC000594396209 349414204 /nfs/dbraw/zinc/41/42/04/349414204.db2.gz MTOXVHJTTYRIJS-UHFFFAOYSA-N 0 3 274.408 2.937 20 30 CFEDHN CCOC(=O)[C@@H](NC(=O)C(C#N)CC)C1CCCCCC1 ZINC000594407891 349415375 /nfs/dbraw/zinc/41/53/75/349415375.db2.gz FULNLVXHAXOGAO-JSGCOSHPSA-N 0 3 294.395 2.554 20 30 CFEDHN C[C@H](c1ccccc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594425258 349417201 /nfs/dbraw/zinc/41/72/01/349417201.db2.gz GWGFRJORWSTQEC-UKRRQHHQSA-N 0 3 273.380 2.617 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000594425171 349417260 /nfs/dbraw/zinc/41/72/60/349417260.db2.gz GDSPTOUIYIFCIL-CHWSQXEVSA-N 0 3 291.420 2.823 20 30 CFEDHN CN(Cc1ccc(Cl)cc1)C(=O)[C@H](N)CCCCC#N ZINC000594426163 349417516 /nfs/dbraw/zinc/41/75/16/349417516.db2.gz PPMYLDKDJLYNRL-CQSZACIVSA-N 0 3 293.798 2.710 20 30 CFEDHN CC(C)N(C(=O)[C@@H](N)CCCCC#N)C1CCCC1 ZINC000594427486 349418530 /nfs/dbraw/zinc/41/85/30/349418530.db2.gz JBJWEURGGNUTBH-AWEZNQCLSA-N 0 3 265.401 2.577 20 30 CFEDHN CC(C)CN(C(=O)[C@H](N)CCCCC#N)C1CCCC1 ZINC000594427470 349418648 /nfs/dbraw/zinc/41/86/48/349418648.db2.gz ILJMJBGSQWCUJP-OAHLLOKOSA-N 0 3 279.428 2.825 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000594427560 349419012 /nfs/dbraw/zinc/41/90/12/349419012.db2.gz VINGRRDUVQGVMQ-CQSZACIVSA-N 0 3 277.343 2.590 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000594429930 349419349 /nfs/dbraw/zinc/41/93/49/349419349.db2.gz WRIHKGACSFXHGP-RDJZCZTQSA-N 0 3 299.418 2.634 20 30 CFEDHN Cc1cc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c(C)s1 ZINC000594429409 349419620 /nfs/dbraw/zinc/41/96/20/349419620.db2.gz TVIKKBSDGYVYHQ-RISCZKNCSA-N 0 3 293.436 2.953 20 30 CFEDHN CCCC1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594432101 349420622 /nfs/dbraw/zinc/42/06/22/349420622.db2.gz XRUSLCVDIUWNHF-YMAMQOFZSA-N 0 3 279.428 2.873 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594432819 349420747 /nfs/dbraw/zinc/42/07/47/349420747.db2.gz BZVYWGNYBQOCJD-KKUMJFAQSA-N 0 3 279.428 2.729 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1cccc(C)c1 ZINC000594430298 349420835 /nfs/dbraw/zinc/42/08/35/349420835.db2.gz YVAGVCPVKCRPPJ-OAHLLOKOSA-N 0 3 273.380 2.759 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433585 349420941 /nfs/dbraw/zinc/42/09/41/349420941.db2.gz HMKAVXMBHHYUCI-ILXRZTDVSA-N 0 3 279.428 2.730 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594434597 349421407 /nfs/dbraw/zinc/42/14/07/349421407.db2.gz PWIBVNWEYNZZJD-ZBFHGGJFSA-N 0 3 287.407 2.892 20 30 CFEDHN CC(C)(C)c1cnc(NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594435647 349421470 /nfs/dbraw/zinc/42/14/70/349421470.db2.gz DYILLTLWVUCRCW-SNVBAGLBSA-N 0 3 294.424 2.790 20 30 CFEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CCCCC#N)CC2 ZINC000594434045 349421716 /nfs/dbraw/zinc/42/17/16/349421716.db2.gz JSNZPLFOSDYWCB-HOTGVXAUSA-N 0 3 285.391 2.510 20 30 CFEDHN CCNc1cc(C)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594435867 349421848 /nfs/dbraw/zinc/42/18/48/349421848.db2.gz GAMKGDKUXBKDDY-CYBMUJFWSA-N 0 3 288.395 2.777 20 30 CFEDHN C[C@H](CC#N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000597256804 350074163 /nfs/dbraw/zinc/07/41/63/350074163.db2.gz HEYPPTOVGWSBSB-CABCVRRESA-N 0 3 299.418 2.878 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597144891 350037825 /nfs/dbraw/zinc/03/78/25/350037825.db2.gz OIAZKTQTNKGLGG-LBPRGKRZSA-N 0 3 297.782 2.543 20 30 CFEDHN COC(=O)c1ccc(CNCC(C)(C)CC#N)cc1F ZINC000597152190 350039543 /nfs/dbraw/zinc/03/95/43/350039543.db2.gz XITLUJAFJOAQQN-UHFFFAOYSA-N 0 3 278.327 2.642 20 30 CFEDHN Cc1ccc(CCCN2CCC[C@@H](CC#N)C2)cn1 ZINC000597178488 350045286 /nfs/dbraw/zinc/04/52/86/350045286.db2.gz YKSRWSPDKSHBNW-INIZCTEOSA-N 0 3 257.381 2.948 20 30 CFEDHN COC(=O)c1cc(CNCCc2ccc(C#N)cc2)c(C)o1 ZINC000597177323 350045396 /nfs/dbraw/zinc/04/53/96/350045396.db2.gz JXESLXNBJTWVSC-UHFFFAOYSA-N 0 3 298.342 2.579 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000597187687 350048017 /nfs/dbraw/zinc/04/80/17/350048017.db2.gz OJNOVWNRHPNWTE-AWEZNQCLSA-N 0 3 280.375 2.994 20 30 CFEDHN C[C@H](O)C1(NCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000597235541 350067375 /nfs/dbraw/zinc/06/73/75/350067375.db2.gz YYYWQDDMASJKOA-VIFPVBQESA-N 0 3 284.281 2.580 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)CC#N)N(C)C ZINC000597543990 350109904 /nfs/dbraw/zinc/10/99/04/350109904.db2.gz CFLHQSZOUGIINU-YCPHGPKFSA-N 0 3 287.407 2.652 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(C)cc(C)cc2C)CC1 ZINC000090554040 180002275 /nfs/dbraw/zinc/00/22/75/180002275.db2.gz MORPJAGFPIXWSP-UHFFFAOYSA-N 0 3 286.419 2.992 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CN1C1CC1 ZINC000597363337 350089414 /nfs/dbraw/zinc/08/94/14/350089414.db2.gz BHPDNUSANITVNT-ZIAGYGMSSA-N 0 3 289.423 2.592 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597424302 350095983 /nfs/dbraw/zinc/09/59/83/350095983.db2.gz IFDOKFJZVDZHOQ-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000090883974 180052701 /nfs/dbraw/zinc/05/27/01/180052701.db2.gz UXSDLZDTTGQUQP-DJJJIMSYSA-N 0 3 281.421 2.667 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000597734808 350130370 /nfs/dbraw/zinc/13/03/70/350130370.db2.gz DJWKKUWZEBOHOR-CVEARBPZSA-N 0 3 299.418 2.517 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000597751196 350131482 /nfs/dbraw/zinc/13/14/82/350131482.db2.gz IRLDACKRTWMDDF-AWEZNQCLSA-N 0 3 293.455 2.895 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCC1CSC1 ZINC000597790533 350135940 /nfs/dbraw/zinc/13/59/40/350135940.db2.gz ZGUNTQJIFQQKMS-HNNXBMFYSA-N 0 3 288.416 2.628 20 30 CFEDHN N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000597907611 350154660 /nfs/dbraw/zinc/15/46/60/350154660.db2.gz FWIXHFKBBMIEIT-HOCLYGCPSA-N 0 3 289.423 2.546 20 30 CFEDHN N#CCC1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000598023305 350177467 /nfs/dbraw/zinc/17/74/67/350177467.db2.gz RVDBJUVQMHZAQM-UHFFFAOYSA-N 0 3 297.402 2.658 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CCC2)cc1 ZINC000598214960 350216866 /nfs/dbraw/zinc/21/68/66/350216866.db2.gz DOBMDDCRDBGJDF-QGZVFWFLSA-N 0 3 295.386 2.937 20 30 CFEDHN C[C@H](C#N)N(C(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000598131650 350205311 /nfs/dbraw/zinc/20/53/11/350205311.db2.gz KAOIGHKHVXOUJY-CQSZACIVSA-N 0 3 297.402 2.799 20 30 CFEDHN C[C@H](C#N)N(C(=O)C[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000598136588 350208085 /nfs/dbraw/zinc/20/80/85/350208085.db2.gz HVGBJJGLOCSXOQ-CJNGLKHVSA-N 0 3 285.391 2.582 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccoc1 ZINC000598204243 350213419 /nfs/dbraw/zinc/21/34/19/350213419.db2.gz KMPKGOHDHQYIHE-INIZCTEOSA-N 0 3 282.343 2.711 20 30 CFEDHN C[C@]1(C#N)CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000598415332 350263324 /nfs/dbraw/zinc/26/33/24/350263324.db2.gz OHBBGMQYTSVOTJ-NVXWUHKLSA-N 0 3 289.423 2.546 20 30 CFEDHN Cc1ccc2c(c1Br)CN(C(=O)C(C)C#N)C2 ZINC000598470866 350273994 /nfs/dbraw/zinc/27/39/94/350273994.db2.gz ZTDHHSIWVFMGAI-VIFPVBQESA-N 0 3 293.164 2.759 20 30 CFEDHN N#CCCCNCc1ccnn1CCc1ccccc1 ZINC000598640292 350299621 /nfs/dbraw/zinc/29/96/21/350299621.db2.gz YELWBQYNNAWNAD-UHFFFAOYSA-N 0 3 268.364 2.519 20 30 CFEDHN COc1ccc(CN2CC(C)(C)CC[C@@H]2CO)cc1C#N ZINC000598646603 350301433 /nfs/dbraw/zinc/30/14/33/350301433.db2.gz HXPKRRHSXGCAEA-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN Cc1ccc2c(c1C)OC[C@@H]2NC[C@H](O)CC(C)(C)C#N ZINC000598721064 350317642 /nfs/dbraw/zinc/31/76/42/350317642.db2.gz RJHWHNOCJJLEJB-HIFRSBDPSA-N 0 3 288.391 2.627 20 30 CFEDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@@H](O)CC(C)(C)C#N)o1 ZINC000598721723 350318482 /nfs/dbraw/zinc/31/84/82/350318482.db2.gz YQGUNWLLIJKVBF-MBNYWOFBSA-N 0 3 276.380 2.793 20 30 CFEDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H](O)CC(C)(C)C#N)o1 ZINC000598721722 350318612 /nfs/dbraw/zinc/31/86/12/350318612.db2.gz YQGUNWLLIJKVBF-DYEKYZERSA-N 0 3 276.380 2.793 20 30 CFEDHN Cc1cccnc1[C@H](NC[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598595323 350289105 /nfs/dbraw/zinc/28/91/05/350289105.db2.gz ICMVUTZVBYKZBA-LSDHHAIUSA-N 0 3 289.423 2.978 20 30 CFEDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598594238 350289198 /nfs/dbraw/zinc/28/91/98/350289198.db2.gz ZZOKJULYVAJDPQ-HOCLYGCPSA-N 0 3 287.407 2.828 20 30 CFEDHN COc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598598556 350289830 /nfs/dbraw/zinc/28/98/30/350289830.db2.gz BDXIYSQJZNGKNM-AAEUAGOBSA-N 0 3 294.370 2.786 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](c2ccccn2)C1 ZINC000598618816 350294356 /nfs/dbraw/zinc/29/43/56/350294356.db2.gz RGGXMCDTJOGHTP-CABCVRRESA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000598622420 350295239 /nfs/dbraw/zinc/29/52/39/350295239.db2.gz JVYVPEMABVQYAR-HUUCEWRRSA-N 0 3 294.439 2.711 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccsc1 ZINC000598621935 350295451 /nfs/dbraw/zinc/29/54/51/350295451.db2.gz WWNCEQGPVHVFTP-ZYHUDNBSSA-N 0 3 252.383 2.699 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC(=O)C(C)C(F)(F)F)n1 ZINC000598852584 350340214 /nfs/dbraw/zinc/34/02/14/350340214.db2.gz IGBHHGAUARKNSP-QMMMGPOBSA-N 0 3 271.242 2.707 20 30 CFEDHN CCC[C@H](CNCc1ccc(C#N)c(F)c1)OCC ZINC000598989314 350354810 /nfs/dbraw/zinc/35/48/10/350354810.db2.gz GDSDTRRQWIZNAX-CQSZACIVSA-N 0 3 264.344 2.992 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000599068607 350369763 /nfs/dbraw/zinc/36/97/63/350369763.db2.gz AEBHIQNGDJDJEX-ZIAGYGMSSA-N 0 3 279.428 2.553 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000599068605 350370164 /nfs/dbraw/zinc/37/01/64/350370164.db2.gz AEBHIQNGDJDJEX-KGLIPLIRSA-N 0 3 279.428 2.553 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CO[C@@H](C3CC3)C1)CC2 ZINC000599085295 350373441 /nfs/dbraw/zinc/37/34/41/350373441.db2.gz OSFHSGHNWJHXCW-USXIJHARSA-N 0 3 268.360 2.703 20 30 CFEDHN CCC1(N2CCOCC2)CCN(c2ccc(C#N)cc2)CC1 ZINC000599186405 350392052 /nfs/dbraw/zinc/39/20/52/350392052.db2.gz FLKLALRJHVVFAH-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN Cc1ccc(CN(C)[C@H]2CCN(C3CC3)C2)cc1C#N ZINC000599290980 350407130 /nfs/dbraw/zinc/40/71/30/350407130.db2.gz GPFVWWYULKIJFX-KRWDZBQOSA-N 0 3 269.392 2.535 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599350431 350420453 /nfs/dbraw/zinc/42/04/53/350420453.db2.gz SGARPBMKDYDANI-KBPBESRZSA-N 0 3 288.391 2.709 20 30 CFEDHN CCO[C@@H](CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000599357737 350422208 /nfs/dbraw/zinc/42/22/08/350422208.db2.gz XHPIXCSRHULQKX-INIZCTEOSA-N 0 3 270.376 2.952 20 30 CFEDHN Cc1cnc([C@H](NC[C@@H](O)CC2(C#N)CC2)C2CC2)s1 ZINC000599358950 350423765 /nfs/dbraw/zinc/42/37/65/350423765.db2.gz JZQFYGQDUNGNAK-QWHCGFSZSA-N 0 3 291.420 2.547 20 30 CFEDHN CO[C@@]1(C)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599391253 350429855 /nfs/dbraw/zinc/42/98/55/350429855.db2.gz IWNAMJKWYAOXEU-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CCO[C@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000599399450 350431652 /nfs/dbraw/zinc/43/16/52/350431652.db2.gz TUGHFODOHDQRAR-MRXNPFEDSA-N 0 3 299.418 2.754 20 30 CFEDHN C=CC[C@H]1CCN(CC[S@@](=O)c2ccccc2)C1 ZINC000599526098 350450529 /nfs/dbraw/zinc/45/05/29/350450529.db2.gz DSMPLFBQVMFTAD-KBXCAEBGSA-N 0 3 263.406 2.692 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000599526450 350450648 /nfs/dbraw/zinc/45/06/48/350450648.db2.gz LSEMLIPDZSYVIP-INIZCTEOSA-N 0 3 297.402 2.831 20 30 CFEDHN COc1cc(C#N)ccc1OCCN(C1CC1)C1CC1 ZINC000599597857 350462730 /nfs/dbraw/zinc/46/27/30/350462730.db2.gz ATMPPVIBOAPRIJ-UHFFFAOYSA-N 0 3 272.348 2.572 20 30 CFEDHN Cc1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1C#N ZINC000599470958 350442883 /nfs/dbraw/zinc/44/28/83/350442883.db2.gz WGEQTJJVPZEZNQ-KRWDZBQOSA-N 0 3 270.376 2.604 20 30 CFEDHN C=CCCCN1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599667001 350475852 /nfs/dbraw/zinc/47/58/52/350475852.db2.gz BNUNBAYCFNBHQW-HNNXBMFYSA-N 0 3 259.349 2.725 20 30 CFEDHN N#CC1(CCN2CCN(CCCF)CC2)CCCCC1 ZINC000599666723 350476476 /nfs/dbraw/zinc/47/64/76/350476476.db2.gz BSPCUICEVXHAKE-UHFFFAOYSA-N 0 3 281.419 2.828 20 30 CFEDHN CCn1cc(CCN2CCc3c(CC#N)cccc3C2)cn1 ZINC000599676455 350479887 /nfs/dbraw/zinc/47/98/87/350479887.db2.gz AFDCOMJTGJBOCK-UHFFFAOYSA-N 0 3 294.402 2.570 20 30 CFEDHN CC(C)(C)[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599676547 350480176 /nfs/dbraw/zinc/48/01/76/350480176.db2.gz BJRRQRVLNORTPB-INIZCTEOSA-N 0 3 272.392 2.518 20 30 CFEDHN COCC[C@@H](C)N1CCc2c(CC#N)cccc2C1 ZINC000599678308 350480225 /nfs/dbraw/zinc/48/02/25/350480225.db2.gz HNFMSXXYVUEAQT-CYBMUJFWSA-N 0 3 258.365 2.536 20 30 CFEDHN CC[C@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000599679187 350480999 /nfs/dbraw/zinc/48/09/99/350480999.db2.gz XAYIQIMZSFJYFR-OAHLLOKOSA-N 0 3 258.365 2.536 20 30 CFEDHN C/C=C/C[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599688042 350483078 /nfs/dbraw/zinc/48/30/78/350483078.db2.gz BMHUIKLIIBPHAW-LRPXVYOUSA-N 0 3 289.423 2.616 20 30 CFEDHN C/C=C\C[C@@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000599691177 350484073 /nfs/dbraw/zinc/48/40/73/350484073.db2.gz QXIKDJMIUSXTRD-HVLYNSROSA-N 0 3 291.439 2.673 20 30 CFEDHN COC(=O)C1C[C@H](C)N(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000599692438 350484153 /nfs/dbraw/zinc/48/41/53/350484153.db2.gz WVDAGNIDKJFVIU-STQMWFEESA-N 0 3 286.375 2.720 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)OCC)n2)C1 ZINC000600187396 350535366 /nfs/dbraw/zinc/53/53/66/350535366.db2.gz XZMORJZPUAKWDQ-CYBMUJFWSA-N 0 3 274.364 2.656 20 30 CFEDHN CCOc1cc(C)ccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600730671 350602957 /nfs/dbraw/zinc/60/29/57/350602957.db2.gz MTKFNQKFYOLAEM-OAHLLOKOSA-N 0 3 288.391 2.538 20 30 CFEDHN CSc1cccc(F)c1CNC[C@H](O)CC1(C#N)CC1 ZINC000600741497 350604859 /nfs/dbraw/zinc/60/48/59/350604859.db2.gz OKOYXMRMVVGHFL-LLVKDONJSA-N 0 3 294.395 2.692 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2ccc(C(F)(F)F)cc2)CC1 ZINC000600719711 350600842 /nfs/dbraw/zinc/60/08/42/350600842.db2.gz VXRIEVHHRRJJMG-CYBMUJFWSA-N 0 3 298.308 2.850 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2ccccc2C(F)(F)F)CC1 ZINC000600720472 350601482 /nfs/dbraw/zinc/60/14/82/350601482.db2.gz ZCWLUJCVPBMDQZ-LBPRGKRZSA-N 0 3 298.308 2.850 20 30 CFEDHN Cc1ncsc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000600847946 350619290 /nfs/dbraw/zinc/61/92/90/350619290.db2.gz ACJYZECWBGVAJI-NSHDSACASA-N 0 3 279.409 2.640 20 30 CFEDHN COc1ccc(-c2ccc([C@H]3CNCCO3)cc2)c(C#N)c1 ZINC000600789488 350612093 /nfs/dbraw/zinc/61/20/93/350612093.db2.gz FJWIHHPBUQODBL-GOSISDBHSA-N 0 3 294.354 2.895 20 30 CFEDHN COC[C@H](C)N(C(=O)C(C)C#N)[C@H]1CCc2ccccc21 ZINC000600792307 350613584 /nfs/dbraw/zinc/61/35/84/350613584.db2.gz KOCAPNHXTOFSFT-WWGRRREGSA-N 0 3 286.375 2.697 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1 ZINC000600986579 350641784 /nfs/dbraw/zinc/64/17/84/350641784.db2.gz IRPUOIBAGJFJGP-UHFFFAOYSA-N 0 3 283.375 2.771 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccccc1CC#N ZINC000601011893 350645358 /nfs/dbraw/zinc/64/53/58/350645358.db2.gz VPVLKNAUCUJWQV-LSDHHAIUSA-N 0 3 299.418 2.603 20 30 CFEDHN CN(C)C[C@@H]1CCCN1c1ncc(C#N)c2ccsc21 ZINC000601127856 350676008 /nfs/dbraw/zinc/67/60/08/350676008.db2.gz SMOZMAJMFROFGE-LBPRGKRZSA-N 0 3 286.404 2.698 20 30 CFEDHN CC(C)(CC#N)CNCc1ccnn1CC1CCC1 ZINC000601127817 350676080 /nfs/dbraw/zinc/67/60/80/350676080.db2.gz QZDCXJKULUTPGG-UHFFFAOYSA-N 0 3 260.385 2.713 20 30 CFEDHN C[C@](CO)(Cc1ccc(F)cc1)NCc1cccc(C#N)c1 ZINC000601152158 350683061 /nfs/dbraw/zinc/68/30/61/350683061.db2.gz BGTPESWXCVRSEU-GOSISDBHSA-N 0 3 298.361 2.781 20 30 CFEDHN CC[C@H](C)N[C@@H](CNc1cc(C#N)cc(C)n1)c1ccco1 ZINC000601164300 350685996 /nfs/dbraw/zinc/68/59/96/350685996.db2.gz BCNLCOUMJOMFMB-WFASDCNBSA-N 0 3 298.390 2.818 20 30 CFEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000601321259 350723898 /nfs/dbraw/zinc/72/38/98/350723898.db2.gz NISJCVKGUPYBHV-KMUNFCNLSA-N 0 3 262.328 2.651 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CC(C3CCCCC3)C2)CC1 ZINC000601960824 350819525 /nfs/dbraw/zinc/81/95/25/350819525.db2.gz ZVUHMRDUTZRLBT-OAHLLOKOSA-N 0 3 262.397 2.553 20 30 CFEDHN Cc1cccc(CN2CC[C@@H](NC(=O)CC(C)(C)C#N)C2)c1 ZINC000601851671 350792345 /nfs/dbraw/zinc/79/23/45/350792345.db2.gz WATNOFRIIMGOQU-MRXNPFEDSA-N 0 3 299.418 2.625 20 30 CFEDHN COC1CCC(CNCc2cccc(F)c2C#N)CC1 ZINC000602012192 350830645 /nfs/dbraw/zinc/83/06/45/350830645.db2.gz KBJNTVXQJTYDGC-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN N#Cc1ccc(CNCCn2ccc(C(F)(F)F)n2)cc1 ZINC000602017935 350832935 /nfs/dbraw/zinc/83/29/35/350832935.db2.gz UCYOIYREIRVHNT-UHFFFAOYSA-N 0 3 294.280 2.563 20 30 CFEDHN CC(C)(C)N1CC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602029327 350835967 /nfs/dbraw/zinc/83/59/67/350835967.db2.gz UNTAGQVPRKNYLG-CYBMUJFWSA-N 0 3 275.371 2.660 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000602055358 350836755 /nfs/dbraw/zinc/83/67/55/350836755.db2.gz ZFQZOUAKNNBKMG-KRWDZBQOSA-N 0 3 297.402 2.534 20 30 CFEDHN C[C@H](NC(=O)CN(C)CC(C)(C)C)c1cccc(C#N)c1 ZINC000602110851 350842015 /nfs/dbraw/zinc/84/20/15/350842015.db2.gz XNFMBBIPIASODD-ZDUSSCGKSA-N 0 3 287.407 2.713 20 30 CFEDHN CN(CC(=O)NC1(c2cccc(C#N)c2)CC1)CC(C)(C)C ZINC000602126946 350844455 /nfs/dbraw/zinc/84/44/55/350844455.db2.gz CJGFGFCRHZERAM-UHFFFAOYSA-N 0 3 299.418 2.641 20 30 CFEDHN C[C@H](CCC#N)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000602484043 350901817 /nfs/dbraw/zinc/90/18/17/350901817.db2.gz KVDSXQFUBDKBHM-YJYMSZOUSA-N 0 3 278.421 2.796 20 30 CFEDHN CCC(C#N)(CC)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000602492899 350905061 /nfs/dbraw/zinc/90/50/61/350905061.db2.gz STSZFSVOUQBXAF-UHFFFAOYSA-N 0 3 289.354 2.740 20 30 CFEDHN CC(C)Oc1ncccc1CNC[C@@H](C)CCC#N ZINC000602499719 350906242 /nfs/dbraw/zinc/90/62/42/350906242.db2.gz KZIXWBBJJOXRIF-ZDUSSCGKSA-N 0 3 261.369 2.898 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccsc1 ZINC000602507936 350908942 /nfs/dbraw/zinc/90/89/42/350908942.db2.gz XMIHBGBFXQKLFW-GFCCVEGCSA-N 0 3 264.394 2.937 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C)c1nnc2n1CCCCC2 ZINC000602511738 350910426 /nfs/dbraw/zinc/91/04/26/350910426.db2.gz QTWWQLGIDROJBX-OLZOCXBDSA-N 0 3 275.400 2.595 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)N(C)c1ccccc1 ZINC000602516343 350912458 /nfs/dbraw/zinc/91/24/58/350912458.db2.gz ZIWZXBDZOMEUMW-CQSZACIVSA-N 0 3 280.375 2.568 20 30 CFEDHN C[C@@H](Cc1ccsc1)NCc1cccc(C#N)n1 ZINC000602519270 350913178 /nfs/dbraw/zinc/91/31/78/350913178.db2.gz WUVVQELXMRUVGK-NSHDSACASA-N 0 3 257.362 2.736 20 30 CFEDHN CCN[C@H](C)C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000602533414 350916596 /nfs/dbraw/zinc/91/65/96/350916596.db2.gz XXNMABVTSWMTIW-CQSZACIVSA-N 0 3 287.407 2.541 20 30 CFEDHN CC(C)CC[C@@H](N)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000602533000 350916936 /nfs/dbraw/zinc/91/69/36/350916936.db2.gz YBHYEWYMMYQPCM-OAHLLOKOSA-N 0 3 287.407 2.673 20 30 CFEDHN COc1ccc(-n2ccc(CNC[C@H](C)CCC#N)n2)cc1 ZINC000602540162 350918416 /nfs/dbraw/zinc/91/84/16/350918416.db2.gz JZKWWKFSVXOTCZ-CQSZACIVSA-N 0 3 298.390 2.910 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602546824 350920440 /nfs/dbraw/zinc/92/04/40/350920440.db2.gz XJOQODYSOGUYOO-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN CC(C)(C)[C@H]1OCCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602551105 350920916 /nfs/dbraw/zinc/92/09/16/350920916.db2.gz MHQKTQWMUBJLBS-BBRMVZONSA-N 0 3 287.407 2.884 20 30 CFEDHN Cc1ccc2nc(CNC3CCC(C#N)CC3)cn2c1 ZINC000602550799 350921351 /nfs/dbraw/zinc/92/13/51/350921351.db2.gz NDWPIMOJCIUHNT-UHFFFAOYSA-N 0 3 268.364 2.815 20 30 CFEDHN Cc1ccn2cc(CNC[C@@H](C)CCC#N)nc2c1 ZINC000602553613 350921809 /nfs/dbraw/zinc/92/18/09/350921809.db2.gz VPMLCWIYWOMKBJ-ZDUSSCGKSA-N 0 3 256.353 2.672 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc(C)ccc1C ZINC000602557442 350923765 /nfs/dbraw/zinc/92/37/65/350923765.db2.gz JZYNNHCQBGAQOD-HOTGVXAUSA-N 0 3 287.407 2.892 20 30 CFEDHN Cc1ccc(CC[C@@H](C)NCc2cccc(C#N)n2)o1 ZINC000602566194 350927042 /nfs/dbraw/zinc/92/70/42/350927042.db2.gz JIAJIZKOHNKNPG-GFCCVEGCSA-N 0 3 269.348 2.966 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(c2ccccc2F)CC1 ZINC000602428790 350878103 /nfs/dbraw/zinc/87/81/03/350878103.db2.gz KCVXRDKOPQJZMR-CQSZACIVSA-N 0 3 275.371 2.888 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(c2ccccc2)CC1 ZINC000602429604 350878695 /nfs/dbraw/zinc/87/86/95/350878695.db2.gz PYRCBQQRIRVLGY-OAHLLOKOSA-N 0 3 257.381 2.748 20 30 CFEDHN Cc1nc(CN2CCN(C[C@@H](C)CCC#N)CC2)cs1 ZINC000602435468 350881033 /nfs/dbraw/zinc/88/10/33/350881033.db2.gz UFTZGOAFGQADGA-ZDUSSCGKSA-N 0 3 292.452 2.509 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000602438807 350882855 /nfs/dbraw/zinc/88/28/55/350882855.db2.gz ARLWFHIJIDCUTA-ZDUSSCGKSA-N 0 3 292.814 2.797 20 30 CFEDHN CC(C)Cn1ccnc1CNC1CCC(C#N)CC1 ZINC000602593632 350938844 /nfs/dbraw/zinc/93/88/44/350938844.db2.gz LXNRAHGYRNSMAF-UHFFFAOYSA-N 0 3 260.385 2.711 20 30 CFEDHN CCOc1ncccc1CNC1CCC(C#N)CC1 ZINC000602594130 350938943 /nfs/dbraw/zinc/93/89/43/350938943.db2.gz RYLWJQDWDVAJFN-UHFFFAOYSA-N 0 3 259.353 2.652 20 30 CFEDHN COC(=O)C1(N(C)C[C@H](C)CCC#N)CCCCC1 ZINC000602473721 350895721 /nfs/dbraw/zinc/89/57/21/350895721.db2.gz OUZORYVJFGBWLI-CYBMUJFWSA-N 0 3 266.385 2.734 20 30 CFEDHN CO[C@H](CNCC1(CC#N)CC1)Cc1ccccc1 ZINC000602642778 350959244 /nfs/dbraw/zinc/95/92/44/350959244.db2.gz NFYQWVLSDYBPDP-HNNXBMFYSA-N 0 3 258.365 2.528 20 30 CFEDHN C[C@@H]1CC(CCNCc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000602651034 350961573 /nfs/dbraw/zinc/96/15/73/350961573.db2.gz FBNDOVYBYPGUNA-CHWSQXEVSA-N 0 3 273.380 2.637 20 30 CFEDHN CC[C@](C)(CN1CCC(C#N)(c2ccccn2)CC1)OC ZINC000602651501 350962179 /nfs/dbraw/zinc/96/21/79/350962179.db2.gz IONYSIFQBFQEKE-MRXNPFEDSA-N 0 3 287.407 2.754 20 30 CFEDHN N#Cc1cccc(CNCC2(c3ccccn3)CCC2)n1 ZINC000602654363 350962854 /nfs/dbraw/zinc/96/28/54/350962854.db2.gz LWQLGCDRSWIZNU-UHFFFAOYSA-N 0 3 278.359 2.560 20 30 CFEDHN C[C@@H](CCC#N)CN(CCN(C)C)Cc1ccco1 ZINC000602665059 350967281 /nfs/dbraw/zinc/96/72/81/350967281.db2.gz YJYRMPANOLUXPN-AWEZNQCLSA-N 0 3 263.385 2.583 20 30 CFEDHN C[C@H](CCC#N)CN1CCOC[C@H]1CC1CCC1 ZINC000602672066 350970609 /nfs/dbraw/zinc/97/06/09/350970609.db2.gz MJUTUDAAMGCRTO-UKRRQHHQSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCC1(CNCc2cc(C(=O)OC)no2)CCCC1 ZINC000602683083 350976533 /nfs/dbraw/zinc/97/65/33/350976533.db2.gz HOZANXYVYGRNRM-UHFFFAOYSA-N 0 3 278.352 2.687 20 30 CFEDHN CC(C)n1cc(C(C)(C)NC[C@H](C)CCC#N)nn1 ZINC000602692846 350981396 /nfs/dbraw/zinc/98/13/96/350981396.db2.gz CLKSVCBLNQYDFG-GFCCVEGCSA-N 0 3 263.389 2.624 20 30 CFEDHN N#CC1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCC1 ZINC000602699300 350986138 /nfs/dbraw/zinc/98/61/38/350986138.db2.gz MCZNUHDMFBHQEO-MJBXVCDLSA-N 0 3 260.381 2.618 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CSc3ccccc3O2)n1 ZINC000602701001 350986747 /nfs/dbraw/zinc/98/67/47/350986747.db2.gz PSWOURLWOWGOCD-AWEZNQCLSA-N 0 3 297.383 2.596 20 30 CFEDHN CC[C@H](C(=O)OC(C)(C)C)N(C)C[C@H](C)CCC#N ZINC000602708050 350992165 /nfs/dbraw/zinc/99/21/65/350992165.db2.gz WMVMRACTFCSWTF-CHWSQXEVSA-N 0 3 268.401 2.978 20 30 CFEDHN CC[C@@H](C(=O)OC(C)(C)C)N(C)C[C@@H](C)CCC#N ZINC000602708056 350992189 /nfs/dbraw/zinc/99/21/89/350992189.db2.gz WMVMRACTFCSWTF-STQMWFEESA-N 0 3 268.401 2.978 20 30 CFEDHN COC(=O)c1ccc(CNC[C@@H](C)CCC#N)c(F)c1 ZINC000602713353 350994801 /nfs/dbraw/zinc/99/48/01/350994801.db2.gz LRKIJBIHVOLCDX-NSHDSACASA-N 0 3 278.327 2.642 20 30 CFEDHN C[C@@H](CCC#N)CN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000602714389 350995947 /nfs/dbraw/zinc/99/59/47/350995947.db2.gz IESMFRAVHOLWFU-LBPRGKRZSA-N 0 3 260.385 2.734 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000602716157 350996721 /nfs/dbraw/zinc/99/67/21/350996721.db2.gz IVQSAIMFMJFATC-YOEHRIQHSA-N 0 3 285.391 2.734 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)c(C)[nH]2)C1 ZINC000602720235 350998813 /nfs/dbraw/zinc/99/88/13/350998813.db2.gz FEBOOBDQTKWZHC-LBPRGKRZSA-N 0 3 262.353 2.508 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000602720678 350999695 /nfs/dbraw/zinc/99/96/95/350999695.db2.gz KWLYEZAAUSDOIK-GFCCVEGCSA-N 0 3 262.353 2.589 20 30 CFEDHN Cc1cc(C2(NC[C@H](C)CCC#N)CCOCC2)on1 ZINC000602731717 351004961 /nfs/dbraw/zinc/00/49/61/351004961.db2.gz XLRODQPBVVUGOP-GFCCVEGCSA-N 0 3 277.368 2.518 20 30 CFEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NC[C@H](C)C#N)cc1 ZINC000602607091 350943674 /nfs/dbraw/zinc/94/36/74/350943674.db2.gz GXNHGNGQIRXIOR-CZPYZCIJSA-N 0 3 258.365 2.936 20 30 CFEDHN CC(C)(C#N)CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000602608153 350943793 /nfs/dbraw/zinc/94/37/93/350943793.db2.gz QAHRFCQGUXLPCP-AWEZNQCLSA-N 0 3 257.381 2.652 20 30 CFEDHN CCC[C@@]1(COC)CCCN1Cc1cccc(C#N)n1 ZINC000602635598 350955052 /nfs/dbraw/zinc/95/50/52/350955052.db2.gz ABPYXNWDIPWKBM-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN CCN(Cc1ccc2c(c1)OCO2)CC1(CC#N)CC1 ZINC000602764505 351016935 /nfs/dbraw/zinc/01/69/35/351016935.db2.gz XTRGTDSHPJRTRC-UHFFFAOYSA-N 0 3 272.348 2.931 20 30 CFEDHN N#CCC1(CN2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000602768356 351019222 /nfs/dbraw/zinc/01/92/22/351019222.db2.gz UPLCDMJCRDDOGE-UHFFFAOYSA-N 0 3 297.402 2.575 20 30 CFEDHN CN1CCN(CC2(CC#N)CC2)Cc2ccccc21 ZINC000602773807 351020156 /nfs/dbraw/zinc/02/01/56/351020156.db2.gz WAYXSSMIGPHVAC-UHFFFAOYSA-N 0 3 255.365 2.632 20 30 CFEDHN N#CCC1(CN[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000602793775 351028042 /nfs/dbraw/zinc/02/80/42/351028042.db2.gz LATMGCCBGDYTEC-MRXNPFEDSA-N 0 3 280.375 2.908 20 30 CFEDHN C[C@@H](CCO)N(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602801095 351030371 /nfs/dbraw/zinc/03/03/71/351030371.db2.gz ZNTDNLCVTBBWAJ-HNNXBMFYSA-N 0 3 272.392 2.953 20 30 CFEDHN N#CCC1(CN[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000602804408 351031461 /nfs/dbraw/zinc/03/14/61/351031461.db2.gz FSICEXQCXJEXHG-ZDUSSCGKSA-N 0 3 264.756 2.657 20 30 CFEDHN C[C@@H]1CN(CCCc2ccsc2)C[C@H](C)N1CC#N ZINC000602853053 351046178 /nfs/dbraw/zinc/04/61/78/351046178.db2.gz GFEUGLADFLCZGF-OKILXGFUSA-N 0 3 277.437 2.599 20 30 CFEDHN C[C@@H]1CN(CCSC2CCCCC2)C[C@H](C)N1CC#N ZINC000602854679 351047688 /nfs/dbraw/zinc/04/76/88/351047688.db2.gz QBWSTLQPDDIKTM-GASCZTMLSA-N 0 3 295.496 2.970 20 30 CFEDHN C[C@H](CCc1ccccc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602859424 351048458 /nfs/dbraw/zinc/04/84/58/351048458.db2.gz YIMRAYGUODCXIB-IKGGRYGDSA-N 0 3 285.435 2.926 20 30 CFEDHN COc1ccc(C2CCN(CC3(CC#N)CC3)CC2)nc1 ZINC000602866913 351051669 /nfs/dbraw/zinc/05/16/69/351051669.db2.gz URYVXBVTFNLOJL-UHFFFAOYSA-N 0 3 285.391 2.963 20 30 CFEDHN N#Cc1cccc(OCCCN2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602883068 351057563 /nfs/dbraw/zinc/05/75/63/351057563.db2.gz VXGNWERYBDFEAP-QGZVFWFLSA-N 0 3 296.374 2.887 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](n2ccnn2)CC1 ZINC000602892384 351059332 /nfs/dbraw/zinc/05/93/32/351059332.db2.gz OIMDPRGZPZEVBF-KRWDZBQOSA-N 0 3 295.390 2.685 20 30 CFEDHN N#CCC1(CN2CCC([C@H]3CCCCO3)CC2)CC1 ZINC000602902389 351061562 /nfs/dbraw/zinc/06/15/62/351061562.db2.gz XMCSVPFJQDXEEQ-OAHLLOKOSA-N 0 3 262.397 2.961 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000602743983 351011812 /nfs/dbraw/zinc/01/18/12/351011812.db2.gz VRBQETROOQJDIC-STQMWFEESA-N 0 3 284.281 2.580 20 30 CFEDHN CC[C@H]1CCC[C@H](CN2CCN(CCC#N)CC2)C1 ZINC000602748736 351012604 /nfs/dbraw/zinc/01/26/04/351012604.db2.gz RHDDKTWGEZPILN-HOTGVXAUSA-N 0 3 263.429 2.734 20 30 CFEDHN C[C@@H](CCN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748325 351013203 /nfs/dbraw/zinc/01/32/03/351013203.db2.gz MFLYHAXDDSAQTL-INIZCTEOSA-N 0 3 271.408 2.711 20 30 CFEDHN CCC[C@@H](N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603233238 351122951 /nfs/dbraw/zinc/12/29/51/351122951.db2.gz IUHBAGPGMMJSIJ-BXUZGUMPSA-N 0 3 269.352 2.559 20 30 CFEDHN CN(CCCN(C)[C@H]1CCC[C@@H]1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602981021 351082710 /nfs/dbraw/zinc/08/27/10/351082710.db2.gz YRGHMWOTBZLOOM-VQHPVUNQSA-N 0 3 288.439 2.625 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC(C)(F)CC1 ZINC000602992904 351086862 /nfs/dbraw/zinc/08/68/62/351086862.db2.gz JJCUYBBPSOMYNW-UHFFFAOYSA-N 0 3 292.354 2.770 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C2CCC2)CC1 ZINC000603000005 351089188 /nfs/dbraw/zinc/08/91/88/351089188.db2.gz RAVQICXLPZSYCP-GDBMZVCRSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000602998363 351089324 /nfs/dbraw/zinc/08/93/24/351089324.db2.gz KQCSBQWRSWGLPW-HZSPNIEDSA-N 0 3 278.396 2.732 20 30 CFEDHN C[C@H](CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000603055123 351096017 /nfs/dbraw/zinc/09/60/17/351096017.db2.gz MRFODMWBPYJXIM-OLZOCXBDSA-N 0 3 279.428 2.551 20 30 CFEDHN COc1ccc(OC2CCN(CCCC#N)CC2)cc1 ZINC000603854567 351186501 /nfs/dbraw/zinc/18/65/01/351186501.db2.gz FGYUZUHIKKXFJE-UHFFFAOYSA-N 0 3 274.364 2.842 20 30 CFEDHN C=CCOc1ccc(CN(C)C2(CO)CC2)cc1Cl ZINC000668801611 539813864 /nfs/dbraw/zinc/81/38/64/539813864.db2.gz VSCDWLBLRQMSQI-UHFFFAOYSA-N 0 3 281.783 2.862 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC(C)(C)CC1 ZINC000607748451 351359458 /nfs/dbraw/zinc/35/94/58/351359458.db2.gz APHVTNARSVYLAA-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000609620243 351512389 /nfs/dbraw/zinc/51/23/89/351512389.db2.gz UMSDBSYNACABRB-VIFPVBQESA-N 0 3 270.254 2.524 20 30 CFEDHN C[C@@](CO)(NCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000609799722 351520701 /nfs/dbraw/zinc/52/07/01/351520701.db2.gz FMPJGONRQLYPDI-ZDUSSCGKSA-N 0 3 286.297 2.806 20 30 CFEDHN CC[C@@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1F ZINC000610008929 351531512 /nfs/dbraw/zinc/53/15/12/351531512.db2.gz RUWJLNQVMCBNMM-MRXNPFEDSA-N 0 3 293.361 2.993 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000610015872 351531643 /nfs/dbraw/zinc/53/16/43/351531643.db2.gz DHGQHHLMBXOLHV-PELKAZGASA-N 0 3 252.264 2.692 20 30 CFEDHN COc1ccccc1OCCCNCc1ccc(C#N)o1 ZINC000610270881 351545351 /nfs/dbraw/zinc/54/53/51/351545351.db2.gz YFZCQZQHCAUFCM-UHFFFAOYSA-N 0 3 286.331 2.719 20 30 CFEDHN N#Cc1ccc(OCCNCc2n[nH]c3ccccc23)cc1 ZINC000610271295 351545962 /nfs/dbraw/zinc/54/59/62/351545962.db2.gz QXPCZWUXXSVILK-UHFFFAOYSA-N 0 3 292.342 2.603 20 30 CFEDHN N#Cc1ccc(OCCNCc2[nH]nc3ccccc32)cc1 ZINC000610271295 351545966 /nfs/dbraw/zinc/54/59/66/351545966.db2.gz QXPCZWUXXSVILK-UHFFFAOYSA-N 0 3 292.342 2.603 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610360395 351558764 /nfs/dbraw/zinc/55/87/64/351558764.db2.gz YJYYSOUULZRWAS-CJNGLKHVSA-N 0 3 285.391 2.610 20 30 CFEDHN CS[C@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000610995184 351632339 /nfs/dbraw/zinc/63/23/39/351632339.db2.gz UNXGJWFSVLEZQT-AWEZNQCLSA-N 0 3 261.394 2.671 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccccc1C#N ZINC000611119097 351641770 /nfs/dbraw/zinc/64/17/70/351641770.db2.gz SGXMCRJXXPOTPQ-KSSFIOAISA-N 0 3 280.371 2.812 20 30 CFEDHN Cc1ccccc1[C@@H](C)N1CCN(CCC#N)CC1 ZINC000611175704 351646813 /nfs/dbraw/zinc/64/68/13/351646813.db2.gz KINVBBNODXZIAZ-OAHLLOKOSA-N 0 3 257.381 2.587 20 30 CFEDHN N#Cc1ccccc1CN1CCC2(CCOC2)CC1 ZINC000611178326 351647450 /nfs/dbraw/zinc/64/74/50/351647450.db2.gz URBIGOZUYVWXOP-UHFFFAOYSA-N 0 3 256.349 2.561 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@H](C(F)F)C2)cc1 ZINC000611180072 351649054 /nfs/dbraw/zinc/64/90/54/351649054.db2.gz REBDBUQREPEJRV-LBPRGKRZSA-N 0 3 266.291 2.524 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)cc1F)c1ccncc1 ZINC000610947087 351623498 /nfs/dbraw/zinc/62/34/98/351623498.db2.gz JZSITJIBJFVIGM-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN COc1ccc([C@H]2CCN(Cc3ccnc(C#N)c3)C2)cc1 ZINC000610992304 351629913 /nfs/dbraw/zinc/62/99/13/351629913.db2.gz UFKVOUVNBKBKCO-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN CN(CCC(C)(C)C#N)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000611462652 351692224 /nfs/dbraw/zinc/69/22/24/351692224.db2.gz DZWFJPZVAXQPEM-UHFFFAOYSA-N 0 3 299.418 2.950 20 30 CFEDHN CC(C)(C#N)CCN1CCc2ccc(O)cc2CC1 ZINC000611462668 351692653 /nfs/dbraw/zinc/69/26/53/351692653.db2.gz LJEJRBSJSDCCQB-UHFFFAOYSA-N 0 3 258.365 2.733 20 30 CFEDHN C[C@@H](N[C@@H](C)C(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000611470171 351694100 /nfs/dbraw/zinc/69/41/00/351694100.db2.gz JGFRSKUIWDCTDJ-ZJUUUORDSA-N 0 3 250.317 2.507 20 30 CFEDHN C[C@H](N[C@@H](C)C(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000611470169 351694259 /nfs/dbraw/zinc/69/42/59/351694259.db2.gz JGFRSKUIWDCTDJ-UWVGGRQHSA-N 0 3 250.317 2.507 20 30 CFEDHN COC(=O)c1cccc(CN(C(C)C)C(C)C)c1C#N ZINC000611516888 351702653 /nfs/dbraw/zinc/70/26/53/351702653.db2.gz GLFNKMOSTZKDSL-UHFFFAOYSA-N 0 3 274.364 2.964 20 30 CFEDHN CC(C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000259394054 535165001 /nfs/dbraw/zinc/16/50/01/535165001.db2.gz BUQZOCMOFFPCIW-UHFFFAOYSA-N 0 3 262.328 2.949 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000611801302 351742128 /nfs/dbraw/zinc/74/21/28/351742128.db2.gz VQYLOWHRECIRBO-VEVIJQCQSA-N 0 3 263.406 2.877 20 30 CFEDHN C[C@@H](N[C@@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000611588933 351712583 /nfs/dbraw/zinc/71/25/83/351712583.db2.gz BYQXTTJSTIUWOF-ZWNOBZJWSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1F ZINC000611587852 351712677 /nfs/dbraw/zinc/71/26/77/351712677.db2.gz LDOPOMXSVBUZMT-WFASDCNBSA-N 0 3 287.382 2.832 20 30 CFEDHN COC1(CN[C@H](C)c2ccc(C#N)cc2F)CCOCC1 ZINC000611589035 351713016 /nfs/dbraw/zinc/71/30/16/351713016.db2.gz LDUZBYNCDXKUGO-GFCCVEGCSA-N 0 3 292.354 2.544 20 30 CFEDHN COc1cccc(C[C@H](C)NCc2ccc(C#N)cc2F)n1 ZINC000611967406 351756445 /nfs/dbraw/zinc/75/64/45/351756445.db2.gz IWNYNIGWBZGVHA-LBPRGKRZSA-N 0 3 299.349 2.822 20 30 CFEDHN CCN1CCC[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1 ZINC000612072214 351769534 /nfs/dbraw/zinc/76/95/34/351769534.db2.gz JPKWYQJYLXQHBM-LLVKDONJSA-N 0 3 278.787 2.811 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1nccc(C)c1C#N ZINC000612080103 351770960 /nfs/dbraw/zinc/77/09/60/351770960.db2.gz PZGIOXSUJKABEU-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN C[C@@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000612417052 351818450 /nfs/dbraw/zinc/81/84/50/351818450.db2.gz VNHKZQOIOLXIQR-LLVKDONJSA-N 0 3 292.342 2.991 20 30 CFEDHN C=CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C1CC1 ZINC000271447929 191142428 /nfs/dbraw/zinc/14/24/28/191142428.db2.gz NMTIQVMFIOQXOC-INIZCTEOSA-N 0 3 299.418 2.621 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)CN1C1CC1 ZINC000122267498 187023587 /nfs/dbraw/zinc/02/35/87/187023587.db2.gz CJPAEZXHQQCDJX-JQWIXIFHSA-N 0 3 286.335 2.504 20 30 CFEDHN N#Cc1csc(CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000612402081 351814553 /nfs/dbraw/zinc/81/45/53/351814553.db2.gz DVKXRTVNGWUKMU-CQSZACIVSA-N 0 3 276.405 2.868 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC2(CCC2)C1 ZINC000122994777 187064584 /nfs/dbraw/zinc/06/45/84/187064584.db2.gz SHKNQMREDXRXQE-UHFFFAOYSA-N 0 3 286.375 2.822 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H](O)Cc1ccccc1 ZINC000123307968 187084291 /nfs/dbraw/zinc/08/42/91/187084291.db2.gz GPTDUYDSRQBINY-LRDDRELGSA-N 0 3 286.400 2.701 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H](O)Cc1ccccc1 ZINC000123308204 187084581 /nfs/dbraw/zinc/08/45/81/187084581.db2.gz GPTDUYDSRQBINY-WBMJQRKESA-N 0 3 286.400 2.701 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000613389797 351949173 /nfs/dbraw/zinc/94/91/73/351949173.db2.gz RADZERBBUJNACC-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)N(C)C ZINC000613411906 351954026 /nfs/dbraw/zinc/95/40/26/351954026.db2.gz WEJUWVJGIBUTAV-LLVKDONJSA-N 0 3 260.385 2.613 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000613666867 351995129 /nfs/dbraw/zinc/99/51/29/351995129.db2.gz PXZOTRAJMBHLRU-UMNHJUIQSA-N 0 3 270.336 2.611 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2N(C)CCN(C)C1CC1 ZINC000613701249 351999715 /nfs/dbraw/zinc/99/97/15/351999715.db2.gz HVRINTFCEGZOSU-UHFFFAOYSA-N 0 3 294.402 2.945 20 30 CFEDHN C[C@@H](O)CCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168447 352055950 /nfs/dbraw/zinc/05/59/50/352055950.db2.gz BKKIAMIFROWQMY-CYBMUJFWSA-N 0 3 260.381 2.690 20 30 CFEDHN CCN1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000614963192 352136967 /nfs/dbraw/zinc/13/69/67/352136967.db2.gz PWLPMLVKYNAJJZ-KBPBESRZSA-N 0 3 257.381 2.645 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H]4CCC[C@H]43)o2)c1 ZINC000614600743 352106935 /nfs/dbraw/zinc/10/69/35/352106935.db2.gz IEOPKSVSQZEMAI-UKRRQHHQSA-N 0 3 294.358 2.983 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1ccc2ccccc2n1)C1CC1 ZINC000616177128 352296878 /nfs/dbraw/zinc/29/68/78/352296878.db2.gz ZDHNPCSNLGGABD-FZMZJTMJSA-N 0 3 279.343 2.757 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC000617039164 352474966 /nfs/dbraw/zinc/47/49/66/352474966.db2.gz DCZWFYNVUIHPSJ-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000617042919 352478376 /nfs/dbraw/zinc/47/83/76/352478376.db2.gz XEFZEDAPSKGALZ-QWHCGFSZSA-N 0 3 261.369 2.512 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000617786166 352646444 /nfs/dbraw/zinc/64/64/44/352646444.db2.gz VFDUEBIZBSORGJ-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCc3cc(O)ccc3C2)o1 ZINC000618197826 352736858 /nfs/dbraw/zinc/73/68/58/352736858.db2.gz DGWBEDKSRSJDNS-CYBMUJFWSA-N 0 3 268.316 2.504 20 30 CFEDHN Cc1ccccc1[C@H](CO)N[C@@H]1CCC[C@H](C#N)C1 ZINC000618570116 352812992 /nfs/dbraw/zinc/81/29/92/352812992.db2.gz NHCZQJKGWKEURL-LZWOXQAQSA-N 0 3 258.365 2.700 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(C)ccc1OC ZINC000271646583 191256522 /nfs/dbraw/zinc/25/65/22/191256522.db2.gz IHERXNBGULIPPU-UONOGXRCSA-N 0 3 263.381 2.981 20 30 CFEDHN Cc1cc(C2CCN(Cc3cccc(C#N)c3)CC2)n[nH]1 ZINC000271648474 191258361 /nfs/dbraw/zinc/25/83/61/191258361.db2.gz RLTYPWLJQULEFS-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1cc(C2CCN(Cc3cccc(C#N)c3)CC2)[nH]n1 ZINC000271648474 191258363 /nfs/dbraw/zinc/25/83/63/191258363.db2.gz RLTYPWLJQULEFS-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN C=C(C)[C@H](CO)SCCN(C)Cc1ccccc1 ZINC000618966030 352922302 /nfs/dbraw/zinc/92/23/02/352922302.db2.gz VNOMYNYFJQMDMN-HNNXBMFYSA-N 0 3 265.422 2.789 20 30 CFEDHN CC[C@@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N(CC)CC ZINC000618788559 352881608 /nfs/dbraw/zinc/88/16/08/352881608.db2.gz BISXTNHYYZAESF-IRXDYDNUSA-N 0 3 299.418 2.782 20 30 CFEDHN Cc1n[nH]cc1[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618801804 352883294 /nfs/dbraw/zinc/88/32/94/352883294.db2.gz CEGTWJRNOHRGEN-QFYYESIMSA-N 0 3 266.348 2.928 20 30 CFEDHN Cc1nn(C)cc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618803600 352883356 /nfs/dbraw/zinc/88/33/56/352883356.db2.gz YHAJRYSECXXTOC-DIFFPNOSSA-N 0 3 280.375 2.938 20 30 CFEDHN 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CCC#C[C@H](C)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000671255228 540609730 /nfs/dbraw/zinc/60/97/30/540609730.db2.gz AUEHLPZSOWPAKV-FUHWJXTLSA-N 0 3 270.420 2.647 20 30 CFEDHN CCOc1ccc(C#N)cc1NC1CCN(C2CC2)CC1 ZINC000297583956 200233513 /nfs/dbraw/zinc/23/35/13/200233513.db2.gz IRJVPWIVMINMIF-UHFFFAOYSA-N 0 3 285.391 2.996 20 30 CFEDHN C[C@]12CCN(CCOc3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000298258262 200374649 /nfs/dbraw/zinc/37/46/49/200374649.db2.gz LYWZIBZOXGANRQ-CABCVRRESA-N 0 3 292.329 2.914 20 30 CFEDHN CN(C)C[C@H](Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000176953049 189016679 /nfs/dbraw/zinc/01/66/79/189016679.db2.gz LOEWPKRMWLYHHR-HNNXBMFYSA-N 0 3 299.443 2.882 20 30 CFEDHN Cc1ccccc1[C@H](O)CNCc1ccc(C#N)s1 ZINC000176968609 189017292 /nfs/dbraw/zinc/01/72/92/189017292.db2.gz VWJLKWNGVWIIMR-OAHLLOKOSA-N 0 3 272.373 2.751 20 30 CFEDHN CCC(CC)[C@@H](O)CNCc1ccc(C#N)s1 ZINC000176968146 189017345 /nfs/dbraw/zinc/01/73/45/189017345.db2.gz RJTRJIAKTWMSPH-ZDUSSCGKSA-N 0 3 252.383 2.506 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)s1)c1ccsc1 ZINC000176974511 189018041 /nfs/dbraw/zinc/01/80/41/189018041.db2.gz DRUFAZZUQRADHC-ZDUSSCGKSA-N 0 3 278.402 2.679 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000176980595 189018846 /nfs/dbraw/zinc/01/88/46/189018846.db2.gz YPYOQHHQTYWCCT-TZMCWYRMSA-N 0 3 264.394 2.913 20 30 CFEDHN C[C@@H]1[C@@H](C)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177908108 189078417 /nfs/dbraw/zinc/07/84/17/189078417.db2.gz PIRDSOODZDSKAT-NWDGAFQWSA-N 0 3 282.347 2.839 20 30 CFEDHN N#Cc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000178776926 189145310 /nfs/dbraw/zinc/14/53/10/189145310.db2.gz YLECHILCMXGUMY-KBMXLJTQSA-N 0 3 286.350 2.745 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2CN2CCCC2)s1 ZINC000179646547 189209683 /nfs/dbraw/zinc/20/96/83/189209683.db2.gz UKPBFMQELDONOG-ZDUSSCGKSA-N 0 3 275.421 2.680 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000180365432 189251514 /nfs/dbraw/zinc/25/15/14/189251514.db2.gz TZAHXNZXIMBYJI-FUHWJXTLSA-N 0 3 298.430 2.959 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180438478 189255311 /nfs/dbraw/zinc/25/53/11/189255311.db2.gz YCLDLRGAEAZGIL-RISCZKNCSA-N 0 3 264.325 2.573 20 30 CFEDHN COCCCOCCN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000180716682 189271583 /nfs/dbraw/zinc/27/15/83/189271583.db2.gz CQIJLUNWPRORAE-CQSZACIVSA-N 0 3 276.380 2.604 20 30 CFEDHN CN(C[C@@H]1CCCN(C)C1)c1c(Cl)cccc1C#N ZINC000301412513 201000393 /nfs/dbraw/zinc/00/03/93/201000393.db2.gz YXJMNYYUKOGPNF-GFCCVEGCSA-N 0 3 277.799 2.990 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc(F)cc1C#N ZINC000301522331 201046637 /nfs/dbraw/zinc/04/66/37/201046637.db2.gz GGQPNYPMPMINMZ-CQSZACIVSA-N 0 3 261.344 2.984 20 30 CFEDHN CCN1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301552767 201066110 /nfs/dbraw/zinc/06/61/10/201066110.db2.gz VTQDNEAQKRWMHO-UHFFFAOYSA-N 0 3 263.772 2.744 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)c1ccc(C#N)cn1 ZINC000301646519 201114236 /nfs/dbraw/zinc/11/42/36/201114236.db2.gz NYMFUXLDRHYKNK-UHFFFAOYSA-N 0 3 280.375 2.521 20 30 CFEDHN C[C@H](CN(C)Cc1ccc(C#N)o1)c1nccs1 ZINC000183262986 189352980 /nfs/dbraw/zinc/35/29/80/189352980.db2.gz WGCNDCUGZFCKTA-SNVBAGLBSA-N 0 3 261.350 2.843 20 30 CFEDHN COC(=O)C1(CNCc2cccc(C#N)c2)CCCCC1 ZINC000183235591 189351538 /nfs/dbraw/zinc/35/15/38/189351538.db2.gz TWHKHLSSIOAOJA-UHFFFAOYSA-N 0 3 286.375 2.771 20 30 CFEDHN C[C@@H](NCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000184653858 189391924 /nfs/dbraw/zinc/39/19/24/189391924.db2.gz FBQXFJOWUSPRCI-SNVBAGLBSA-N 0 3 277.393 2.727 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000666760944 541141161 /nfs/dbraw/zinc/14/11/61/541141161.db2.gz JIMVGJVMZWHITK-OAHLLOKOSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)N1CCC[C@H]1C ZINC000425531524 239092541 /nfs/dbraw/zinc/09/25/41/239092541.db2.gz HPUWBSOHMOKCMO-HUUCEWRRSA-N 0 3 299.418 2.952 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667803836 541319469 /nfs/dbraw/zinc/31/94/69/541319469.db2.gz PNGAPWSSRRGXKD-GFCCVEGCSA-N 0 3 288.395 2.594 20 30 CFEDHN COCCN(Cc1cccc(C#N)c1)[C@H]1CCCSC1 ZINC000433184419 240120006 /nfs/dbraw/zinc/12/00/06/240120006.db2.gz YRUVJQCYCHHOAU-INIZCTEOSA-N 0 3 290.432 2.902 20 30 CFEDHN C=C1CCN(CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000275419893 193028669 /nfs/dbraw/zinc/02/86/69/193028669.db2.gz FTYSXCJIYYWRNN-UHFFFAOYSA-N 0 3 284.403 2.613 20 30 CFEDHN C#CCCCCC(=O)Nc1ccccc1CCN(C)C ZINC000275466493 193049531 /nfs/dbraw/zinc/04/95/31/193049531.db2.gz AFBZKUNKPBXSRG-UHFFFAOYSA-N 0 3 272.392 2.923 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@H](c2ccccc2)C1 ZINC000275666181 193100833 /nfs/dbraw/zinc/10/08/33/193100833.db2.gz YKRMFFBZBGCFHM-HOTGVXAUSA-N 0 3 293.432 2.513 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000275690214 193104786 /nfs/dbraw/zinc/10/47/86/193104786.db2.gz AQFMHAZJVIMILW-QGZVFWFLSA-N 0 3 287.403 2.682 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@H]1CC[C@H](O)CC1 ZINC000275827952 193140082 /nfs/dbraw/zinc/14/00/82/193140082.db2.gz LCKQMSYJCABVKZ-WKILWMFISA-N 0 3 277.795 2.927 20 30 CFEDHN COc1cc(CN(C)CCc2ccccc2O)ccc1C#N ZINC000442848838 241007377 /nfs/dbraw/zinc/00/73/77/241007377.db2.gz FUAHDLZJQYCDBO-UHFFFAOYSA-N 0 3 296.370 2.947 20 30 CFEDHN CN(CCN1CCCC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443509414 241067070 /nfs/dbraw/zinc/06/70/70/241067070.db2.gz NQAWUYUVXFZCJS-UHFFFAOYSA-N 0 3 298.312 2.504 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)s1 ZINC000443791203 241090023 /nfs/dbraw/zinc/09/00/23/241090023.db2.gz PXPLAUHYHOPWRR-GYSYKLTISA-N 0 3 264.394 2.601 20 30 CFEDHN CC1(C)CCCN(CCNc2nc3c(cc2C#N)CCC3)C1 ZINC000443951543 241097865 /nfs/dbraw/zinc/09/78/65/241097865.db2.gz YGEOEXHBHVHZRE-UHFFFAOYSA-N 0 3 298.434 2.976 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1 ZINC000443336447 241054412 /nfs/dbraw/zinc/05/44/12/241054412.db2.gz QGOFWCKXRMDTKW-WWGRRREGSA-N 0 3 258.365 2.540 20 30 CFEDHN CC[C@@H](N[C@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000447600804 241392747 /nfs/dbraw/zinc/39/27/47/241392747.db2.gz NSFDOHZCNDUYMX-QWHCGFSZSA-N 0 3 268.307 2.615 20 30 CFEDHN Cn1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC000449532853 242009448 /nfs/dbraw/zinc/00/94/48/242009448.db2.gz DRLDUCCZWCTBFQ-CVEARBPZSA-N 0 3 255.365 2.517 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)n2C)c1 ZINC000450269028 242333694 /nfs/dbraw/zinc/33/36/94/242333694.db2.gz GSUFZQPTTIOLLT-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN C[C@H]1CCCN(CCNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450256432 242327910 /nfs/dbraw/zinc/32/79/10/242327910.db2.gz HINFIUQFELSTFL-LBPRGKRZSA-N 0 3 288.351 2.610 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CN1C1CC1 ZINC000450380810 242387255 /nfs/dbraw/zinc/38/72/55/242387255.db2.gz SEFJCJLMVBWPGW-ZYHUDNBSSA-N 0 3 286.335 2.504 20 30 CFEDHN C=CCOCCN[C@H]1CCc2c1ccc(OC)c2F ZINC000675925283 541710152 /nfs/dbraw/zinc/71/01/52/541710152.db2.gz XERAJCHDCQCMAC-ZDUSSCGKSA-N 0 3 265.328 2.614 20 30 CFEDHN CS[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000276033036 193194880 /nfs/dbraw/zinc/19/48/80/193194880.db2.gz MHDYXWAYGSAOTF-DAXOMENPSA-N 0 3 289.448 2.597 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000276072365 193204686 /nfs/dbraw/zinc/20/46/86/193204686.db2.gz AANOITLXADLHSO-QWHCGFSZSA-N 0 3 278.371 2.899 20 30 CFEDHN C=CCOc1cccc(CN(CCO)C2CCC2)c1 ZINC000276077959 193207835 /nfs/dbraw/zinc/20/78/35/193207835.db2.gz URDVAHFVHNCBSD-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN CC(C)[C@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000330784223 203231418 /nfs/dbraw/zinc/23/14/18/203231418.db2.gz JOTYNRCWBKSDGQ-XHDPSFHLSA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000457096682 244390487 /nfs/dbraw/zinc/39/04/87/244390487.db2.gz RJVHLPYIYQEEMH-RHSMWYFYSA-N 0 3 299.418 2.603 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000276179178 193234887 /nfs/dbraw/zinc/23/48/87/193234887.db2.gz VGKRRLAGCCCEQT-MRXNPFEDSA-N 0 3 289.423 2.815 20 30 CFEDHN C=CCCN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000276224255 193247634 /nfs/dbraw/zinc/24/76/34/193247634.db2.gz JGCGOSSDYUUDKT-UHFFFAOYSA-N 0 3 272.392 2.931 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000276332297 193289100 /nfs/dbraw/zinc/28/91/00/193289100.db2.gz HADUJOCKTFTMFD-CABZTGNLSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCCN(C)CCc1nc(-c2ccccc2)no1 ZINC000276476005 193347845 /nfs/dbraw/zinc/34/78/45/193347845.db2.gz SCSUIEWPIJXWRJ-UHFFFAOYSA-N 0 3 257.337 2.787 20 30 CFEDHN CCC#C[C@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000677047392 541812798 /nfs/dbraw/zinc/81/27/98/541812798.db2.gz YZLIJYRSOXHQNX-KRWDZBQOSA-N 0 3 270.420 2.649 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000459462761 245186228 /nfs/dbraw/zinc/18/62/28/245186228.db2.gz MSKHUCBZNLTQOH-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN COc1cccc2c1C[C@@H](NCc1ccc(C#N)cc1F)C2 ZINC000459697869 245277874 /nfs/dbraw/zinc/27/78/74/245277874.db2.gz KRRAEERIIJXDHR-HNNXBMFYSA-N 0 3 296.345 2.963 20 30 CFEDHN COc1ccc(OCCNCc2cccc(C#N)c2)cc1 ZINC000011095501 371918297 /nfs/dbraw/zinc/91/82/97/371918297.db2.gz RBYHTVRDGFXLBX-UHFFFAOYSA-N 0 3 282.343 2.735 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000677478175 541864575 /nfs/dbraw/zinc/86/45/75/541864575.db2.gz PYGBCMICWGEEEE-JYJNAYRXSA-N 0 3 278.440 2.805 20 30 CFEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000023386516 372258250 /nfs/dbraw/zinc/25/82/50/372258250.db2.gz IYTDVPANCMJQDP-YOEHRIQHSA-N 0 3 296.370 2.649 20 30 CFEDHN CCCN(CC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000037096152 372649020 /nfs/dbraw/zinc/64/90/20/372649020.db2.gz OXULTHQLCGNBRE-UHFFFAOYSA-N 0 3 259.353 2.617 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)C(C)C ZINC000037800127 372715008 /nfs/dbraw/zinc/71/50/08/372715008.db2.gz NMLHOTKSJSZYTI-LBPRGKRZSA-N 0 3 286.828 2.899 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1F ZINC000451699935 383685534 /nfs/dbraw/zinc/68/55/34/383685534.db2.gz MLALMQXBEWNVAE-IVMMDQJWSA-N 0 3 288.366 2.680 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000044812386 373009744 /nfs/dbraw/zinc/00/97/44/373009744.db2.gz UCHKNIGZJSDZRV-QMMMGPOBSA-N 0 3 271.147 2.812 20 30 CFEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C)C1 ZINC000263785515 383688313 /nfs/dbraw/zinc/68/83/13/383688313.db2.gz ZUTHJEPRXNAVNA-LSDHHAIUSA-N 0 3 285.391 2.664 20 30 CFEDHN CN(CC(=O)Nc1cccc(C#N)c1)C(C1CC1)C1CC1 ZINC000050989460 373386271 /nfs/dbraw/zinc/38/62/71/373386271.db2.gz OILIVTFWDZPCHH-UHFFFAOYSA-N 0 3 283.375 2.617 20 30 CFEDHN COCc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000069674188 220201095 /nfs/dbraw/zinc/20/10/95/220201095.db2.gz NALBGWYNFCTFEJ-UHFFFAOYSA-N 0 3 266.344 2.994 20 30 CFEDHN CCCN1CCC(N(C)C(=O)c2sccc2C#N)CC1 ZINC000052050262 373432129 /nfs/dbraw/zinc/43/21/29/373432129.db2.gz LMYQEDOKAMUWIV-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000054183342 373504930 /nfs/dbraw/zinc/50/49/30/373504930.db2.gz OWMCOSBBLSMIBJ-SJORKVTESA-N 0 3 271.408 2.933 20 30 CFEDHN N#CC1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000057879091 373616976 /nfs/dbraw/zinc/61/69/76/373616976.db2.gz CHXUEVOYXBSBSS-UHFFFAOYSA-N 0 3 291.782 2.904 20 30 CFEDHN N#CC1CCN(CCCOCCc2ccccc2)CC1 ZINC000057875284 373617289 /nfs/dbraw/zinc/61/72/89/373617289.db2.gz RRRQRQQTJKJRFK-UHFFFAOYSA-N 0 3 272.392 2.871 20 30 CFEDHN N#Cc1ccc(N[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000061846494 373733455 /nfs/dbraw/zinc/73/34/55/373733455.db2.gz DELANNYYZRRROL-LBPRGKRZSA-N 0 3 261.756 2.860 20 30 CFEDHN C[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000068829812 374040565 /nfs/dbraw/zinc/04/05/65/374040565.db2.gz TYRASJHKKQVRNT-WMLDXEAASA-N 0 3 297.402 2.786 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000069508804 374070499 /nfs/dbraw/zinc/07/04/99/374070499.db2.gz NXUIBJWDJVUKGV-OAHLLOKOSA-N 0 3 290.407 2.562 20 30 CFEDHN C=CCSCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000431807666 383697836 /nfs/dbraw/zinc/69/78/36/383697836.db2.gz HRXGYWCEMVUPSA-HNNXBMFYSA-N 0 3 296.480 2.819 20 30 CFEDHN C=CCCC(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000677841171 541911902 /nfs/dbraw/zinc/91/19/02/541911902.db2.gz PUVMJXUNRDWTKL-UHFFFAOYSA-N 0 3 288.391 2.548 20 30 CFEDHN CCN(CC#CCOC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000677818228 541910149 /nfs/dbraw/zinc/91/01/49/541910149.db2.gz XFOJDYDLEDYDIH-HNNXBMFYSA-N 0 3 275.392 2.598 20 30 CFEDHN CCCCO[C@H]1C[C@H](N(C)CC#CCOC)C1(C)C ZINC000677819275 541910299 /nfs/dbraw/zinc/91/02/99/541910299.db2.gz WBBXOGHNPUXMCJ-GJZGRUSLSA-N 0 3 267.413 2.552 20 30 CFEDHN CCC[C@H]1[C@@H](C)CCCN1CC(=O)N(CC)CCC#N ZINC000072775220 374284777 /nfs/dbraw/zinc/28/47/77/374284777.db2.gz LQYHNHJHXKIAIJ-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc(C)c2Cl)CC1 ZINC000073344828 374336066 /nfs/dbraw/zinc/33/60/66/374336066.db2.gz RORZEYYWTRIOMJ-UHFFFAOYSA-N 0 3 290.794 2.932 20 30 CFEDHN C=CCN1CCC(NC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000074132405 374407976 /nfs/dbraw/zinc/40/79/76/374407976.db2.gz MANDAKKQYXUHSM-ZDUSSCGKSA-N 0 3 291.439 2.609 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000076734092 374556830 /nfs/dbraw/zinc/55/68/30/374556830.db2.gz SSFJFTIKRHYPHF-AWEZNQCLSA-N 0 3 292.398 2.771 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCCc1ccccc1 ZINC000076736134 374557128 /nfs/dbraw/zinc/55/71/28/374557128.db2.gz BETCCVRKZWEZIH-OAHLLOKOSA-N 0 3 274.408 2.632 20 30 CFEDHN C=C1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678241252 541982061 /nfs/dbraw/zinc/98/20/61/541982061.db2.gz CYQYLRHBGZPWOW-UHFFFAOYSA-N 0 3 270.376 2.731 20 30 CFEDHN CCN(C(=O)C1CCN(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000081013791 374680711 /nfs/dbraw/zinc/68/07/11/374680711.db2.gz XFCYSVAHNPPVMD-AWEZNQCLSA-N 0 3 299.418 2.810 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)c2cc(C#N)cn2C)n1 ZINC000083773407 374756921 /nfs/dbraw/zinc/75/69/21/374756921.db2.gz UNFTVBZMVYXDFS-LLVKDONJSA-N 0 3 298.371 2.967 20 30 CFEDHN CCOC(=O)CCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000081548115 374706256 /nfs/dbraw/zinc/70/62/56/374706256.db2.gz UAEWLFROSOXPQW-LBPRGKRZSA-N 0 3 260.337 2.552 20 30 CFEDHN CCN(Cc1ccc(OC)c(C#N)c1)C[C@H]1CCCO1 ZINC000087833234 374832538 /nfs/dbraw/zinc/83/25/38/374832538.db2.gz IKMGNKAIZWJXAF-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CCC[C@@H]1O ZINC000089161260 374879353 /nfs/dbraw/zinc/87/93/53/374879353.db2.gz OLAHDVLOENDQRG-HIFRSBDPSA-N 0 3 261.365 2.502 20 30 CFEDHN CO[C@@H]1CC[C@@H]2OCCN(CC(C)(C)CCC#N)[C@H]2C1 ZINC000092097693 375088186 /nfs/dbraw/zinc/08/81/86/375088186.db2.gz XNZYOXUUQKQGFU-ILXRZTDVSA-N 0 3 280.412 2.585 20 30 CFEDHN Cc1nc(C2CCN(CC(C)(C)CCC#N)CC2)no1 ZINC000092787989 375154739 /nfs/dbraw/zinc/15/47/39/375154739.db2.gz HZKOIQWKFJOGRC-UHFFFAOYSA-N 0 3 276.384 2.887 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506623 375257912 /nfs/dbraw/zinc/25/79/12/375257912.db2.gz SCIHGGFRRFLDQN-AEFFLSMTSA-N 0 3 285.387 2.700 20 30 CFEDHN C=CCCCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000093533583 375263380 /nfs/dbraw/zinc/26/33/80/375263380.db2.gz HLKGDCVEYPYZBM-UHFFFAOYSA-N 0 3 254.337 2.604 20 30 CFEDHN C=CCCCN(C)Cc1cc2c(c(OC)c1)OCO2 ZINC000093533525 375263899 /nfs/dbraw/zinc/26/38/99/375263899.db2.gz SNMKONFKDWKQIP-UHFFFAOYSA-N 0 3 263.337 2.822 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1 ZINC000102410291 375672507 /nfs/dbraw/zinc/67/25/07/375672507.db2.gz ZJHSOCBRPUCBJC-INIZCTEOSA-N 0 3 266.348 2.592 20 30 CFEDHN N#Cc1cccc(NC(=O)CN2CCC[C@@H]2C2CCC2)c1 ZINC000102926693 375701947 /nfs/dbraw/zinc/70/19/47/375701947.db2.gz XDPHPWIXMJDVND-MRXNPFEDSA-N 0 3 283.375 2.761 20 30 CFEDHN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C#N)cc1F ZINC000512652560 247214931 /nfs/dbraw/zinc/21/49/31/247214931.db2.gz ALPIZPFWZZPLTP-VGKMCQHDSA-N 0 3 260.312 2.668 20 30 CFEDHN C=C(CC)CN1CCc2c(cccc2NC(C)=O)C1 ZINC000678623954 542055491 /nfs/dbraw/zinc/05/54/91/542055491.db2.gz YTPLVAYCWDICLR-UHFFFAOYSA-N 0 3 258.365 2.969 20 30 CFEDHN COCC#CCN[C@H](C)c1ccc(SCCOC)cc1 ZINC000678765723 542065626 /nfs/dbraw/zinc/06/56/26/542065626.db2.gz ZWUKHWXXMROYBX-CQSZACIVSA-N 0 3 293.432 2.726 20 30 CFEDHN C[C@@H](NCCc1cscn1)c1cccc(C#N)c1 ZINC000111626422 375858612 /nfs/dbraw/zinc/85/86/12/375858612.db2.gz KWNCZKPXIQMUFK-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000678730649 542062436 /nfs/dbraw/zinc/06/24/36/542062436.db2.gz VFHNYRHTSXAZBM-KGLIPLIRSA-N 0 3 268.364 2.720 20 30 CFEDHN N#CC1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000264225338 383711848 /nfs/dbraw/zinc/71/18/48/383711848.db2.gz VIQNKQJGXYLJQC-UHFFFAOYSA-N 0 3 297.402 2.658 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000640100067 383711547 /nfs/dbraw/zinc/71/15/47/383711547.db2.gz LKBSEWDSJHQYSR-RCCFBDPRSA-N 0 3 269.388 2.664 20 30 CFEDHN CC(C)C[C@@H](CNC(=O)/C=C/c1cccc(C#N)c1)N(C)C ZINC000114376445 376061678 /nfs/dbraw/zinc/06/16/78/376061678.db2.gz HWWQXGZPZPBIJJ-IJDCCNJMSA-N 0 3 299.418 2.664 20 30 CFEDHN C=CCN(CCCC(=O)OC)CCc1ccccc1 ZINC000116379724 376182252 /nfs/dbraw/zinc/18/22/52/376182252.db2.gz SMWVURXMXVKDFM-UHFFFAOYSA-N 0 3 261.365 2.670 20 30 CFEDHN C=CC[C@H](C)N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000116907918 376213310 /nfs/dbraw/zinc/21/33/10/376213310.db2.gz UTBGPBAGSOBYDZ-XHDPSFHLSA-N 0 3 276.355 2.700 20 30 CFEDHN COC(=O)CCN(Cc1ccc(C#N)s1)CC(C)C ZINC000119357781 376401633 /nfs/dbraw/zinc/40/16/33/376401633.db2.gz GBPPIHGSJLBHEG-UHFFFAOYSA-N 0 3 280.393 2.641 20 30 CFEDHN C[C@@H]1C[C@@H](C)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000119278447 376383391 /nfs/dbraw/zinc/38/33/91/376383391.db2.gz URXMJJBIUJVQEF-LOWVWBTDSA-N 0 3 291.420 2.973 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000119331344 376395165 /nfs/dbraw/zinc/39/51/65/376395165.db2.gz WTIRYCWTMFQFMD-MNOVXSKESA-N 0 3 265.353 2.938 20 30 CFEDHN N#CCCCCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000120074912 376540564 /nfs/dbraw/zinc/54/05/64/376540564.db2.gz FLXNCQKXHITPMT-UHFFFAOYSA-N 0 3 285.391 2.575 20 30 CFEDHN CC[C@@H](COC)NCc1cccc(OCCCC#N)c1 ZINC000120229769 376572740 /nfs/dbraw/zinc/57/27/40/376572740.db2.gz VUTQSSSNSDDSDK-HNNXBMFYSA-N 0 3 276.380 2.884 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000120654070 376661382 /nfs/dbraw/zinc/66/13/82/376661382.db2.gz SIYQEEBTOAOTJQ-MJBXVCDLSA-N 0 3 252.402 2.672 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000121199631 376779841 /nfs/dbraw/zinc/77/98/41/376779841.db2.gz ASDOABKSKAKXTG-ZIAGYGMSSA-N 0 3 256.349 2.799 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C)C1 ZINC000122876867 376938772 /nfs/dbraw/zinc/93/87/72/376938772.db2.gz KDFSRFYHPKWEAR-ILXRZTDVSA-N 0 3 264.413 2.553 20 30 CFEDHN C[C@@H](C#N)CN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000264258425 383716510 /nfs/dbraw/zinc/71/65/10/383716510.db2.gz ORWKAHMBSAZPNU-AWEZNQCLSA-N 0 3 285.391 2.514 20 30 CFEDHN CC(C)C[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000123492949 376955149 /nfs/dbraw/zinc/95/51/49/376955149.db2.gz YDGZABQFFMWYNM-RDJZCZTQSA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(C)COc1cc(CNCC[C@H](O)CC)ccc1OC ZINC000124217014 377028301 /nfs/dbraw/zinc/02/83/01/377028301.db2.gz PEZZKHQOFZDIAD-OAHLLOKOSA-N 0 3 293.407 2.901 20 30 CFEDHN CC#CCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000124586573 377068758 /nfs/dbraw/zinc/06/87/58/377068758.db2.gz RLZNABZMFZZBQP-INIZCTEOSA-N 0 3 257.333 2.522 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCO2)cc1OC ZINC000124633503 377072325 /nfs/dbraw/zinc/07/23/25/377072325.db2.gz UJLCCWHFUHGPTH-OAHLLOKOSA-N 0 3 291.391 2.871 20 30 CFEDHN C[C@H]1CCC[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125260969 377133795 /nfs/dbraw/zinc/13/37/95/377133795.db2.gz QUDQFHMGDCITSC-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000128081974 377317804 /nfs/dbraw/zinc/31/78/04/377317804.db2.gz OTZWFFQPKAZZTG-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccccc1OCC ZINC000129026514 377375179 /nfs/dbraw/zinc/37/51/79/377375179.db2.gz ZUOXIXATZHQENQ-HNNXBMFYSA-N 0 3 263.381 2.844 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000129786111 377472056 /nfs/dbraw/zinc/47/20/56/377472056.db2.gz YPNAGGONYTZDPT-ZOBUZTSGSA-N 0 3 286.419 2.803 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1CC(C)C ZINC000130227034 377525571 /nfs/dbraw/zinc/52/55/71/377525571.db2.gz VDOMNBZMIVQYQS-HUUCEWRRSA-N 0 3 279.428 2.505 20 30 CFEDHN C[C@@H](N[C@H](CO)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000130346653 377541207 /nfs/dbraw/zinc/54/12/07/377541207.db2.gz XOLDZZMNSDVLCL-DYVFJYSZSA-N 0 3 298.361 2.952 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@H]1CCSC1 ZINC000130400424 377551018 /nfs/dbraw/zinc/55/10/18/377551018.db2.gz QAYKSWUDJVBDTR-ZDUSSCGKSA-N 0 3 262.378 2.504 20 30 CFEDHN C=CCOCCNc1cc(CC)nc2ccccc21 ZINC000679471289 542193998 /nfs/dbraw/zinc/19/39/98/542193998.db2.gz DDPQQJXATBJESC-UHFFFAOYSA-N 0 3 256.349 2.834 20 30 CFEDHN C=CCOCCNCc1ccccc1OCc1ccccn1 ZINC000679486005 542196841 /nfs/dbraw/zinc/19/68/41/542196841.db2.gz PUVQOOILHAASHE-UHFFFAOYSA-N 0 3 298.386 2.953 20 30 CFEDHN C=CCOCCNCc1ccc(Oc2cnccn2)cc1 ZINC000679487193 542197332 /nfs/dbraw/zinc/19/73/32/542197332.db2.gz ZNRKFAARFPLYIH-UHFFFAOYSA-N 0 3 285.347 2.561 20 30 CFEDHN C#CCCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000130761760 377609182 /nfs/dbraw/zinc/60/91/82/377609182.db2.gz BYDIQNSCXSTDGH-MRXNPFEDSA-N 0 3 288.366 2.539 20 30 CFEDHN Cc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000131925357 377779728 /nfs/dbraw/zinc/77/97/28/377779728.db2.gz XRALSCWNVUQULH-LBPRGKRZSA-N 0 3 276.299 2.756 20 30 CFEDHN Cc1cncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000131925143 377779967 /nfs/dbraw/zinc/77/99/67/377779967.db2.gz XRALSCWNVUQULH-GFCCVEGCSA-N 0 3 276.299 2.756 20 30 CFEDHN C=CCC[C@@H](O)CN1CCCC[C@@H]1c1cccn1C ZINC000132861700 377883575 /nfs/dbraw/zinc/88/35/75/377883575.db2.gz ZLEHPNWOZJVOST-GDBMZVCRSA-N 0 3 262.397 2.879 20 30 CFEDHN CN1CCC[C@H](CNc2c(F)cc(C#N)cc2F)C1 ZINC000133606107 377943845 /nfs/dbraw/zinc/94/38/45/377943845.db2.gz DEIVBMAZNWMTNK-SNVBAGLBSA-N 0 3 265.307 2.590 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCc1cccc(CN(C)C)c1 ZINC000134920006 378063957 /nfs/dbraw/zinc/06/39/57/378063957.db2.gz MHFYPZAQYLKASM-QGZVFWFLSA-N 0 3 274.408 2.967 20 30 CFEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000135335687 378119918 /nfs/dbraw/zinc/11/99/18/378119918.db2.gz MJJMNYNRZHQNTK-ARFHVFGLSA-N 0 3 293.455 2.895 20 30 CFEDHN N#Cc1ccc(CNCCN2CCCCCC2)s1 ZINC000135675354 378156950 /nfs/dbraw/zinc/15/69/50/378156950.db2.gz HXZMVRFYJBNYAG-UHFFFAOYSA-N 0 3 263.410 2.585 20 30 CFEDHN C[C@@H](NCCC(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000135725546 378161075 /nfs/dbraw/zinc/16/10/75/378161075.db2.gz JHDBZFPUXCZBEE-GFCCVEGCSA-N 0 3 273.380 2.514 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCc2c(C)nn(C)c2C)cc1 ZINC000151141584 378301182 /nfs/dbraw/zinc/30/11/82/378301182.db2.gz ZFIZPUBHYDRNMR-CYBMUJFWSA-N 0 3 297.402 2.900 20 30 CFEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H](C)CO)cc1 ZINC000151180939 378304000 /nfs/dbraw/zinc/30/40/00/378304000.db2.gz QLVCDIUGSGJGTK-NEPJUHHUSA-N 0 3 269.772 2.849 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H](C)C2=CCN(C)CC2)CC(=O)N1 ZINC000329667495 378476868 /nfs/dbraw/zinc/47/68/68/378476868.db2.gz LLNGQCVOSGBYRE-FPMFFAJLSA-N 0 3 293.411 2.738 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3C[C@@H]4CCC[C@H]4C3)o2)c1 ZINC000329811344 378499901 /nfs/dbraw/zinc/49/99/01/378499901.db2.gz MSDSXOFYQXBXGL-GJZGRUSLSA-N 0 3 294.358 2.840 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000329883913 378507939 /nfs/dbraw/zinc/50/79/39/378507939.db2.gz RRQRSSUOPAFATJ-CYBMUJFWSA-N 0 3 295.427 2.964 20 30 CFEDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(C#N)c1 ZINC000153743009 378507847 /nfs/dbraw/zinc/50/78/47/378507847.db2.gz LYMYPAAFWAUIHA-FZMZJTMJSA-N 0 3 297.324 2.845 20 30 CFEDHN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@@H]1C ZINC000330265176 378530215 /nfs/dbraw/zinc/53/02/15/378530215.db2.gz YWVYVWPXHIFMEW-SYQHCUMBSA-N 0 3 290.411 2.526 20 30 CFEDHN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)[C@@H]1C ZINC000330265176 378530220 /nfs/dbraw/zinc/53/02/20/378530220.db2.gz YWVYVWPXHIFMEW-SYQHCUMBSA-N 0 3 290.411 2.526 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2ccncc2)cc1 ZINC000154055165 378535872 /nfs/dbraw/zinc/53/58/72/378535872.db2.gz CDFBTWBPXIIONJ-QZTJIDSGSA-N 0 3 293.370 2.824 20 30 CFEDHN CC#CCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000154646431 378586094 /nfs/dbraw/zinc/58/60/94/378586094.db2.gz ZXKSJFSJNYYECL-HNNXBMFYSA-N 0 3 280.375 2.674 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC000330659153 378594288 /nfs/dbraw/zinc/59/42/88/378594288.db2.gz AKJVKVCANSSIHT-LBPRGKRZSA-N 0 3 279.384 2.724 20 30 CFEDHN CC#CCCN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000155330243 378621556 /nfs/dbraw/zinc/62/15/56/378621556.db2.gz ISZCDRXCEWZIMU-CQSZACIVSA-N 0 3 280.412 2.637 20 30 CFEDHN C=C(C)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000156849038 378646738 /nfs/dbraw/zinc/64/67/38/378646738.db2.gz ZXAPUYKSXJWUCW-MRXNPFEDSA-N 0 3 287.407 2.699 20 30 CFEDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000331194164 378646863 /nfs/dbraw/zinc/64/68/63/378646863.db2.gz XESNWNZUKHVZKQ-HUUCEWRRSA-N 0 3 278.783 2.852 20 30 CFEDHN CC[C@@H]1CCCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000332054133 378721726 /nfs/dbraw/zinc/72/17/26/378721726.db2.gz WTMJQHKNEJIFCO-QGZVFWFLSA-N 0 3 299.418 2.829 20 30 CFEDHN Cc1noc([C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000332107925 378727474 /nfs/dbraw/zinc/72/74/74/378727474.db2.gz ZZJIPRHJDZEEOS-NHYWBVRUSA-N 0 3 282.347 2.800 20 30 CFEDHN CCCCN(CC#Cc1ccc(F)cc1)CCOC ZINC000161173889 378827870 /nfs/dbraw/zinc/82/78/70/378827870.db2.gz URHFDQLJTCZPGL-UHFFFAOYSA-N 0 3 263.356 2.926 20 30 CFEDHN Cc1nc2ccccn2c1CN1CCC(CC#N)CC1 ZINC000334176406 378900655 /nfs/dbraw/zinc/90/06/55/378900655.db2.gz COSRLRPZSVQSIC-UHFFFAOYSA-N 0 3 268.364 2.768 20 30 CFEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)s2)CC1 ZINC000264377039 383733021 /nfs/dbraw/zinc/73/30/21/383733021.db2.gz HLCBGMXYDAPKGV-UHFFFAOYSA-N 0 3 293.436 2.506 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000335337876 379117047 /nfs/dbraw/zinc/11/70/47/379117047.db2.gz FQCITATZOBXMDR-IMTBSYHQSA-N 0 3 285.130 2.703 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCc1ccncc1 ZINC000170953634 379196708 /nfs/dbraw/zinc/19/67/08/379196708.db2.gz RBPWQTDFYWCGKF-UHFFFAOYSA-N 0 3 280.371 2.768 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)cc1 ZINC000335421624 379265960 /nfs/dbraw/zinc/26/59/60/379265960.db2.gz USOQRZRVHGRTOX-KRWDZBQOSA-N 0 3 263.344 2.943 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000171718635 379383194 /nfs/dbraw/zinc/38/31/94/379383194.db2.gz USBSYTVOGRHFSR-UHFFFAOYSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000171722005 379384320 /nfs/dbraw/zinc/38/43/20/379384320.db2.gz BLMIDNSWSLKGKS-UHFFFAOYSA-N 0 3 297.402 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2ccco2)CC1 ZINC000171739897 379392223 /nfs/dbraw/zinc/39/22/23/379392223.db2.gz JUVHFLAOGLDHDY-ZDUSSCGKSA-N 0 3 291.395 2.632 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2C2(O)CC2)cc1F ZINC000334516080 379435298 /nfs/dbraw/zinc/43/52/98/379435298.db2.gz XHFQPGNURLYDFB-OAHLLOKOSA-N 0 3 274.339 2.577 20 30 CFEDHN C#Cc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000278953885 194227791 /nfs/dbraw/zinc/22/77/91/194227791.db2.gz NIBNWOYRMPFVIC-UHFFFAOYSA-N 0 3 265.360 2.702 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1 ZINC000172113714 379496905 /nfs/dbraw/zinc/49/69/05/379496905.db2.gz MWTWWJMEZOGELN-ZDUSSCGKSA-N 0 3 283.375 2.591 20 30 CFEDHN N#CCCCCNCc1cn2cc(Cl)ccc2n1 ZINC000172118655 379496812 /nfs/dbraw/zinc/49/68/12/379496812.db2.gz CCWUZJGGXOZRAU-UHFFFAOYSA-N 0 3 262.744 2.771 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000335556374 379506025 /nfs/dbraw/zinc/50/60/25/379506025.db2.gz CXJKJOWIRMOEAM-LRDDRELGSA-N 0 3 274.339 2.909 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C#N)cs1 ZINC000571910110 383738610 /nfs/dbraw/zinc/73/86/10/383738610.db2.gz WZXFYAOBNMKVLL-ZDUSSCGKSA-N 0 3 291.420 2.566 20 30 CFEDHN Cc1c(NC(=O)C(C)C(F)(F)F)ccc(C#N)c1C#N ZINC000335623691 379618194 /nfs/dbraw/zinc/61/81/94/379618194.db2.gz UKVXZYILZOYDAJ-MRVPVSSYSA-N 0 3 281.237 2.875 20 30 CFEDHN COCCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000529637281 383740125 /nfs/dbraw/zinc/74/01/25/383740125.db2.gz AXIVCOCEWAFJFI-UHFFFAOYSA-N 0 3 264.394 2.868 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000335769386 379859978 /nfs/dbraw/zinc/85/99/78/379859978.db2.gz SWBAVNOBELUVQE-JTQLQIEISA-N 0 3 278.302 2.830 20 30 CFEDHN N#Cc1ccc(CNCCCc2nc3ccccc3[nH]2)o1 ZINC000174308617 379862172 /nfs/dbraw/zinc/86/21/72/379862172.db2.gz AHJTUXQPYSLLNX-UHFFFAOYSA-N 0 3 280.331 2.750 20 30 CFEDHN CCc1nc(CCNCc2ccc(C#N)o2)cs1 ZINC000174336374 379867215 /nfs/dbraw/zinc/86/72/15/379867215.db2.gz JFLKQZFLZPFVQU-UHFFFAOYSA-N 0 3 261.350 2.502 20 30 CFEDHN C#C[C@H](NC(=O)c1ccc(CN(C)C)cc1)C(C)(C)C ZINC000288224503 197030000 /nfs/dbraw/zinc/03/00/00/197030000.db2.gz NRBQHAYPAPTWBL-HNNXBMFYSA-N 0 3 272.392 2.526 20 30 CFEDHN COc1ccc(CNC[C@@H](O)c2ccccc2C)cc1C#N ZINC000174383521 379874981 /nfs/dbraw/zinc/87/49/81/379874981.db2.gz IUBRDXWVWCGLCZ-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN Cn1c(CCNCc2ccc(C#N)o2)nc2c1cccc2F ZINC000174392072 379876561 /nfs/dbraw/zinc/87/65/61/379876561.db2.gz NBGLMTSWIWTGQT-UHFFFAOYSA-N 0 3 298.321 2.509 20 30 CFEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000174442148 379887854 /nfs/dbraw/zinc/88/78/54/379887854.db2.gz JUPFXMDGVFORMT-WFASDCNBSA-N 0 3 286.379 2.505 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000432360760 383741454 /nfs/dbraw/zinc/74/14/54/383741454.db2.gz WQXWIWWBCHNCDN-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCOc1cccc(CNC[C@](C)(O)c2ccco2)c1 ZINC000174526881 379902570 /nfs/dbraw/zinc/90/25/70/379902570.db2.gz GNWXUBNCPLXPGE-KRWDZBQOSA-N 0 3 287.359 2.842 20 30 CFEDHN C=CCN1C(=O)c2ccccc2N[C@]12CCN(C)[C@H](C)C2 ZINC000334879818 379937718 /nfs/dbraw/zinc/93/77/18/379937718.db2.gz DEAUCJQTFOSJQE-CXAGYDPISA-N 0 3 285.391 2.551 20 30 CFEDHN C=CCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175370756 380051902 /nfs/dbraw/zinc/05/19/02/380051902.db2.gz CKGVCAUNEFCYPY-PXAZEXFGSA-N 0 3 251.395 2.993 20 30 CFEDHN CCN1CC[C@H](N(C)C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000335884322 380049424 /nfs/dbraw/zinc/04/94/24/380049424.db2.gz PTKNSIOKIBWINM-YPMHNXCESA-N 0 3 291.420 2.565 20 30 CFEDHN Cc1ccc([C@@H]2CSCCN2C(=O)C(C)C#N)cc1 ZINC000336054629 380259220 /nfs/dbraw/zinc/25/92/20/380259220.db2.gz PLKLFGAEZKBQEQ-OCCSQVGLSA-N 0 3 274.389 2.771 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H]3CCC[C@H]32)CC1 ZINC000336097515 380266774 /nfs/dbraw/zinc/26/67/74/380266774.db2.gz ILLQSVHQWLNWQX-GDBMZVCRSA-N 0 3 291.439 2.611 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000176988676 380291554 /nfs/dbraw/zinc/29/15/54/380291554.db2.gz BEQJIFZKLVYLLF-UHFFFAOYSA-N 0 3 297.377 2.919 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000336393708 380338792 /nfs/dbraw/zinc/33/87/92/380338792.db2.gz JRKRECQUIGFQLE-QMMMGPOBSA-N 0 3 299.143 2.706 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000178578998 380466811 /nfs/dbraw/zinc/46/68/11/380466811.db2.gz MJIXVBQGUHZTFV-OAHLLOKOSA-N 0 3 298.390 2.569 20 30 CFEDHN C[C@H]1CCN(C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000336569302 380481307 /nfs/dbraw/zinc/48/13/07/380481307.db2.gz FKIQXCTWLGKGTG-AWEZNQCLSA-N 0 3 299.418 2.654 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC(C)C)c1cccs1 ZINC000180034960 380611463 /nfs/dbraw/zinc/61/14/63/380611463.db2.gz RAIJORBMQHSCAU-LBPRGKRZSA-N 0 3 266.410 2.727 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000180633370 380685200 /nfs/dbraw/zinc/68/52/00/380685200.db2.gz CCCUVWWBCLKFDE-UHFFFAOYSA-N 0 3 278.371 2.661 20 30 CFEDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000279167422 194313461 /nfs/dbraw/zinc/31/34/61/194313461.db2.gz BPVSALQQNCGUKU-CMPLNLGQSA-N 0 3 277.393 2.727 20 30 CFEDHN C#CCSCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000181094315 380738431 /nfs/dbraw/zinc/73/84/31/380738431.db2.gz LJTQQMDAXMVDKX-GFCCVEGCSA-N 0 3 278.377 2.920 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(F)cc1F ZINC000181100512 380739638 /nfs/dbraw/zinc/73/96/38/380739638.db2.gz UKRQNIYHCZAMBM-JTQLQIEISA-N 0 3 255.333 2.982 20 30 CFEDHN CC1(C)C[C@H](O)CCN(Cc2ccc(C#N)cc2)C1 ZINC000295359608 380807656 /nfs/dbraw/zinc/80/76/56/380807656.db2.gz ZJOSNJZHSDJFRX-OAHLLOKOSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CCC[C@H](NCC1([S@](C)=O)CC1)c1ccco1 ZINC000287490902 380844471 /nfs/dbraw/zinc/84/44/71/380844471.db2.gz NHUYFSXVQVOPIA-SGTLLEGYSA-N 0 3 267.394 2.788 20 30 CFEDHN N#Cc1cccc(C2(NCCOC3CCC3)CC2)c1 ZINC000346983745 380847146 /nfs/dbraw/zinc/84/71/46/380847146.db2.gz GIPDJRQZKHLJJA-UHFFFAOYSA-N 0 3 256.349 2.706 20 30 CFEDHN C[C@H](NCCc1ccccn1)c1ccc(C#N)cc1F ZINC000358557899 380925385 /nfs/dbraw/zinc/92/53/85/380925385.db2.gz NWPNMBQQCZWERA-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN C=C(CC)CN1CCC(C(=O)N2CCCCC2)CC1 ZINC000358495106 380881578 /nfs/dbraw/zinc/88/15/78/380881578.db2.gz HFHBHNXCXNQMBI-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(OC)cc1Cl ZINC000341269504 380885239 /nfs/dbraw/zinc/88/52/39/380885239.db2.gz CSLRLRGXROBDNF-NSHDSACASA-N 0 3 269.772 2.623 20 30 CFEDHN C[C@@H](O)CC(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000404183438 380903053 /nfs/dbraw/zinc/90/30/53/380903053.db2.gz FFKSHKARSRALIR-LLVKDONJSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCNC(=O)CC1 ZINC000295516803 380909210 /nfs/dbraw/zinc/90/92/10/380909210.db2.gz LZIZITYVBXKXIG-AWEZNQCLSA-N 0 3 290.382 2.730 20 30 CFEDHN CC(C)(C)OC(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407990435 380912325 /nfs/dbraw/zinc/91/23/25/380912325.db2.gz OGOXJRWBEDZDKM-OCCSQVGLSA-N 0 3 278.396 2.732 20 30 CFEDHN CCN(Cc1cnc2ccc(C#N)cn12)C1CCC1 ZINC000353871412 380916559 /nfs/dbraw/zinc/91/65/59/380916559.db2.gz LRRSBSSTQMRDJU-UHFFFAOYSA-N 0 3 254.337 2.580 20 30 CFEDHN C[C@H](C[C@H](C)O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000341311493 380924492 /nfs/dbraw/zinc/92/44/92/380924492.db2.gz WSLFLRCDRFJTEQ-VWYCJHECSA-N 0 3 250.317 2.507 20 30 CFEDHN C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000181999476 380959548 /nfs/dbraw/zinc/95/95/48/380959548.db2.gz USWGTPPUDJPSHZ-IUODEOHRSA-N 0 3 285.391 2.608 20 30 CFEDHN CC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358569956 380938147 /nfs/dbraw/zinc/93/81/47/380938147.db2.gz MUAQANASPHRYSJ-QMTHXVAHSA-N 0 3 250.317 2.509 20 30 CFEDHN C=CCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000288235545 381010050 /nfs/dbraw/zinc/01/00/50/381010050.db2.gz SVEQHFZJFAAEQF-GOEBONIOSA-N 0 3 289.423 2.895 20 30 CFEDHN C=CCN(CCCC(=O)NCCC)Cc1ccccc1 ZINC000411134004 381010763 /nfs/dbraw/zinc/01/07/63/381010763.db2.gz MXOWCSZJCPNXHT-UHFFFAOYSA-N 0 3 274.408 2.981 20 30 CFEDHN COC(=O)[C@H](C)CN(C)CCC1(C#N)CCCCC1 ZINC000411172582 381013186 /nfs/dbraw/zinc/01/31/86/381013186.db2.gz MJDZLYPHNDSYKF-CYBMUJFWSA-N 0 3 266.385 2.591 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000411176330 381015450 /nfs/dbraw/zinc/01/54/50/381015450.db2.gz WJFMDLJVGYPIGE-HNNXBMFYSA-N 0 3 291.439 2.649 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)CCc1ccccc1 ZINC000182194203 381016726 /nfs/dbraw/zinc/01/67/26/381016726.db2.gz USAZTVUCZXWSFC-LJQANCHMSA-N 0 3 294.398 2.984 20 30 CFEDHN N#CC1(CCN2CCC(n3cncn3)CC2)CCCCC1 ZINC000411211343 381018956 /nfs/dbraw/zinc/01/89/56/381018956.db2.gz SEZJZZNYNLVVGR-UHFFFAOYSA-N 0 3 287.411 2.779 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)N(C)C ZINC000411259270 381020967 /nfs/dbraw/zinc/02/09/67/381020967.db2.gz NAQYUEFXIXSENO-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(F)(c2ccccn2)CC1 ZINC000289315892 381031803 /nfs/dbraw/zinc/03/18/03/381031803.db2.gz JPFZDNYQOMZTBQ-CQSZACIVSA-N 0 3 278.371 2.669 20 30 CFEDHN COc1ccc(CNCCc2cccc(C#N)c2)cc1O ZINC000341457498 381024708 /nfs/dbraw/zinc/02/47/08/381024708.db2.gz KWHHYXRGNUCQQS-UHFFFAOYSA-N 0 3 282.343 2.605 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@]2(C1)OCc1ccccc12 ZINC000411540985 381031964 /nfs/dbraw/zinc/03/19/64/381031964.db2.gz GIZPRUAIUFBIMP-CZUORRHYSA-N 0 3 256.349 2.810 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](c1ccc(F)cn1)C(C)C ZINC000354022791 381026566 /nfs/dbraw/zinc/02/65/66/381026566.db2.gz UBDCXTVBLQIZGK-SWLSCSKDSA-N 0 3 266.360 2.692 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1ccc(SC)cc1 ZINC000411489145 381028536 /nfs/dbraw/zinc/02/85/36/381028536.db2.gz PYCZARGPUQDLTD-ZDUSSCGKSA-N 0 3 281.421 2.656 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000411484550 381029360 /nfs/dbraw/zinc/02/93/60/381029360.db2.gz PAQJWLXMIXWCNE-CHWSQXEVSA-N 0 3 269.352 2.610 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)[C@@H](C)C#N)cc1)C1CC1 ZINC000410892344 381003070 /nfs/dbraw/zinc/00/30/70/381003070.db2.gz VUCGGKKENGBBNU-ZDUSSCGKSA-N 0 3 285.391 2.655 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CCCC)c1ccc(OC)cc1 ZINC000182146662 381003230 /nfs/dbraw/zinc/00/32/30/381003230.db2.gz ATCSDHKDAYKSNV-INIZCTEOSA-N 0 3 290.407 2.818 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182169803 381008408 /nfs/dbraw/zinc/00/84/08/381008408.db2.gz GKLZHPRXKDCUES-ZDUSSCGKSA-N 0 3 276.380 2.888 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(C)cc1 ZINC000182316673 381059917 /nfs/dbraw/zinc/05/99/17/381059917.db2.gz HKTGDMXVVAZCEP-OAHLLOKOSA-N 0 3 272.392 2.846 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000295774382 381067373 /nfs/dbraw/zinc/06/73/73/381067373.db2.gz YWGVPTRWKNBWAP-UHFFFAOYSA-N 0 3 296.414 2.849 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1ccccc1C#N)C1CC1 ZINC000411952233 381068309 /nfs/dbraw/zinc/06/83/09/381068309.db2.gz RCDKYVSXUGGSQP-LRDDRELGSA-N 0 3 258.365 2.851 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H](C)C1(OC)CCC1 ZINC000412027039 381103335 /nfs/dbraw/zinc/10/33/35/381103335.db2.gz UPXJXQXNMQSJNZ-GFCCVEGCSA-N 0 3 274.364 2.614 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000368667671 381104972 /nfs/dbraw/zinc/10/49/72/381104972.db2.gz AQNRUDIOYLBYDT-AWEZNQCLSA-N 0 3 276.355 2.946 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289698284 381109334 /nfs/dbraw/zinc/10/93/34/381109334.db2.gz ILMOZLAPYQSNOF-VXGBXAGGSA-N 0 3 296.798 2.502 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN[C@H](CO)C1CCCC1 ZINC000289701892 381110674 /nfs/dbraw/zinc/11/06/74/381110674.db2.gz YCFALNWQKZMRCR-OAHLLOKOSA-N 0 3 278.783 2.852 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC000354156738 381112829 /nfs/dbraw/zinc/11/28/29/381112829.db2.gz BRSHTTOOPAYWPX-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(C#N)cc1 ZINC000354205413 381139525 /nfs/dbraw/zinc/13/95/25/381139525.db2.gz BCQBQCOALYZWKF-UHFFFAOYSA-N 0 3 293.370 2.915 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCCOC(C)C ZINC000354219229 381147234 /nfs/dbraw/zinc/14/72/34/381147234.db2.gz DENIEPYNZSZECN-OAHLLOKOSA-N 0 3 284.444 2.546 20 30 CFEDHN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000295920134 381156854 /nfs/dbraw/zinc/15/68/54/381156854.db2.gz DYRJRILTEYVVCS-HNNXBMFYSA-N 0 3 299.399 2.977 20 30 CFEDHN COC1(CNCc2ccc(C#N)s2)CCCC1 ZINC000295923003 381159560 /nfs/dbraw/zinc/15/95/60/381159560.db2.gz FEHMITHQHXKJIE-UHFFFAOYSA-N 0 3 250.367 2.669 20 30 CFEDHN C=CCOCCCC(=O)Nc1ccccc1CCN(C)C ZINC000354198027 381134904 /nfs/dbraw/zinc/13/49/04/381134904.db2.gz CHIMJFTXAPVJJG-UHFFFAOYSA-N 0 3 290.407 2.712 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000368792855 381136658 /nfs/dbraw/zinc/13/66/58/381136658.db2.gz YNBMANWYDLLALB-KRWDZBQOSA-N 0 3 270.376 2.949 20 30 CFEDHN CC#CCCN(CCOC)[C@H]1CCCc2cccnc21 ZINC000369020383 381181345 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ZINC000348248373 381476331 /nfs/dbraw/zinc/47/63/31/381476331.db2.gz UZHSQUYIAQFVKF-LRDDRELGSA-N 0 3 281.359 2.545 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC2(CCC2)C1 ZINC000348191829 381469758 /nfs/dbraw/zinc/46/97/58/381469758.db2.gz FPVOUQDBSCMVET-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000342739301 381511106 /nfs/dbraw/zinc/51/11/06/381511106.db2.gz VBPJTZBVBCZTEJ-MGPQQGTHSA-N 0 3 252.402 2.672 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000342720270 381498077 /nfs/dbraw/zinc/49/80/77/381498077.db2.gz KPHXQLBPEDMDAH-GBJTYRQASA-N 0 3 266.429 2.824 20 30 CFEDHN C=CC1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359606079 381501859 /nfs/dbraw/zinc/50/18/59/381501859.db2.gz VTLIWWADMRKCIM-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN CN1CC[C@@H](Nc2ncc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000413214827 381537722 /nfs/dbraw/zinc/53/77/22/381537722.db2.gz WTMXHUDNDUKFHV-HZPDHXFCSA-N 0 3 296.349 2.950 20 30 CFEDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000354964060 381539935 /nfs/dbraw/zinc/53/99/35/381539935.db2.gz HUDYJWXRAABPQK-KNXALSJPSA-N 0 3 292.354 2.542 20 30 CFEDHN C=CCOCCN[C@H](COC)c1cccc(Cl)c1 ZINC000290701563 381526632 /nfs/dbraw/zinc/52/66/32/381526632.db2.gz NJUASEYFHZHSNZ-CQSZACIVSA-N 0 3 269.772 2.820 20 30 CFEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCc3c2cccc3O)cc1 ZINC000296759000 381532113 /nfs/dbraw/zinc/53/21/13/381532113.db2.gz PFVFIZXXXXSLEN-FUHWJXTLSA-N 0 3 294.354 2.574 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N(CCC)CCN1CCCCC1 ZINC000342778388 381532775 /nfs/dbraw/zinc/53/27/75/381532775.db2.gz ITOHQHXGIQBGJU-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN CC(C)CN1CCC[C@H]1CNc1nccc(C#N)c1Cl ZINC000342778821 381534867 /nfs/dbraw/zinc/53/48/67/381534867.db2.gz KLLQJPMGRYGWDC-ZDUSSCGKSA-N 0 3 292.814 2.561 20 30 CFEDHN N#CCCCCNCc1cccc2c1OC(F)(F)O2 ZINC000414320215 381580008 /nfs/dbraw/zinc/58/00/08/381580008.db2.gz BMVYFFUZXSNTNI-UHFFFAOYSA-N 0 3 268.263 2.792 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000290790670 381553368 /nfs/dbraw/zinc/55/33/68/381553368.db2.gz OIQXIJIBTINKPG-ZWNOBZJWSA-N 0 3 286.335 2.504 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ccn(C)n1)C(C)C ZINC000414074103 381558938 /nfs/dbraw/zinc/55/89/38/381558938.db2.gz WRKFUUIYPQWHTK-RDJZCZTQSA-N 0 3 290.455 2.769 20 30 CFEDHN COc1ccc2c(c1)C[C@H](NCC(C)(C)CC#N)CO2 ZINC000414165081 381566087 /nfs/dbraw/zinc/56/60/87/381566087.db2.gz LEVXKXUZKGPYDU-ZDUSSCGKSA-N 0 3 274.364 2.528 20 30 CFEDHN FC(F)O[C@@H]1CCC[C@@H]1NCC#Cc1ccccc1 ZINC000348519740 381603949 /nfs/dbraw/zinc/60/39/49/381603949.db2.gz FUGCPTJUJMVWPT-UONOGXRCSA-N 0 3 265.303 2.788 20 30 CFEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000359738809 381588557 /nfs/dbraw/zinc/58/85/57/381588557.db2.gz JBYHQAUXRVSPBE-FHSNZYRGSA-N 0 3 295.386 2.940 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC2CCC1CC2 ZINC000371388505 381609506 /nfs/dbraw/zinc/60/95/06/381609506.db2.gz NNDPMOXNWULHOZ-UHFFFAOYSA-N 0 3 286.375 2.820 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](c1ncc(C)s1)C1CC1 ZINC000185370875 381616106 /nfs/dbraw/zinc/61/61/06/381616106.db2.gz RPCGMXKVZAVSIQ-STQMWFEESA-N 0 3 266.410 2.819 20 30 CFEDHN CC(C)CN(CC(=O)NCc1ccc(C#N)cc1)C(C)C ZINC000298445077 381629613 /nfs/dbraw/zinc/62/96/13/381629613.db2.gz FDNMAHMONJUBPU-UHFFFAOYSA-N 0 3 287.407 2.541 20 30 CFEDHN CN(Cc1ccc(Cl)cc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000359860939 381646785 /nfs/dbraw/zinc/64/67/85/381646785.db2.gz XSPKYCWUZQBIPK-INIZCTEOSA-N 0 3 289.810 2.880 20 30 CFEDHN CCOCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000355169800 381655161 /nfs/dbraw/zinc/65/51/61/381655161.db2.gz DUVQQOJYUQSXCJ-HNNXBMFYSA-N 0 3 288.391 2.690 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC000343246235 381670257 /nfs/dbraw/zinc/67/02/57/381670257.db2.gz HDSGHLYLLBSZQJ-KGLIPLIRSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291263913 381728736 /nfs/dbraw/zinc/72/87/36/381728736.db2.gz NFCVOINXSZJJHZ-INIZCTEOSA-N 0 3 283.375 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LJUXTLAZWQRTNE-NILFDRSVSA-N 0 3 262.328 2.531 20 30 CFEDHN C[C@H]1[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CCCN1C ZINC000343456894 381723968 /nfs/dbraw/zinc/72/39/68/381723968.db2.gz KCKZEZPSMUWZKD-ONGXEEELSA-N 0 3 298.312 2.867 20 30 CFEDHN C[C@@H]1[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CCCN1C ZINC000343456890 381724190 /nfs/dbraw/zinc/72/41/90/381724190.db2.gz KCKZEZPSMUWZKD-MWLCHTKSSA-N 0 3 298.312 2.867 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@H](C)C1 ZINC000360605551 381785171 /nfs/dbraw/zinc/78/51/71/381785171.db2.gz SPCNMNLXURSURR-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H]1CCC[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000360674045 381788611 /nfs/dbraw/zinc/78/86/11/381788611.db2.gz FDKKHBVJEVKVPL-KFZJALRRSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000343554617 381793839 /nfs/dbraw/zinc/79/38/39/381793839.db2.gz QTYWVOSCLWDKCH-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN CC#CCCNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000360957814 381795969 /nfs/dbraw/zinc/79/59/69/381795969.db2.gz NTWOENOXXOHJKT-LBPRGKRZSA-N 0 3 259.349 2.522 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000360123083 381764796 /nfs/dbraw/zinc/76/47/96/381764796.db2.gz FYVIWZRJTAQQTR-CHWSQXEVSA-N 0 3 274.364 2.634 20 30 CFEDHN COc1ccc([C@@H](CCO)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185875686 381765545 /nfs/dbraw/zinc/76/55/45/381765545.db2.gz CCAMJGLZCQKWRL-JLJPHGGASA-N 0 3 288.391 2.791 20 30 CFEDHN COC(=O)c1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000348921508 381765664 /nfs/dbraw/zinc/76/56/64/381765664.db2.gz NNDNGIBMMNVUQO-UHFFFAOYSA-N 0 3 280.327 2.635 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC000355398093 381766176 /nfs/dbraw/zinc/76/61/76/381766176.db2.gz DZUZQOQMBIADFD-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN CC[C@H](C(=O)N(CC)[C@H](C)c1ccc(C#N)cc1)N(C)C ZINC000298860624 381768586 /nfs/dbraw/zinc/76/85/86/381768586.db2.gz JLPYXKJFFHLEJR-CZUORRHYSA-N 0 3 287.407 2.808 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CCCN(C)[C@@H]2C)c1C#N ZINC000343599755 381831094 /nfs/dbraw/zinc/83/10/94/381831094.db2.gz PEFHENSSSGSWOB-MFKMUULPSA-N 0 3 278.787 2.810 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361471880 381834621 /nfs/dbraw/zinc/83/46/21/381834621.db2.gz VSWKYMPYXICPMU-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2CCCC#N ZINC000372556355 381834999 /nfs/dbraw/zinc/83/49/99/381834999.db2.gz JGRNTZCWDXTRMO-ZSOGYDGISA-N 0 3 293.411 2.810 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCC(C)(C)C1 ZINC000361470953 381834849 /nfs/dbraw/zinc/83/48/49/381834849.db2.gz WPXCXGVFTSQDBK-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN COCCOc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000361465981 381834936 /nfs/dbraw/zinc/83/49/36/381834936.db2.gz YNXHYBGTSDJWRQ-GOEBONIOSA-N 0 3 288.391 2.884 20 30 CFEDHN C=CCOCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000292789759 381836881 /nfs/dbraw/zinc/83/68/81/381836881.db2.gz LKZFRRPDQCFWNV-MRXNPFEDSA-N 0 3 291.391 2.576 20 30 CFEDHN C=CCOCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000292789759 381836885 /nfs/dbraw/zinc/83/68/85/381836885.db2.gz LKZFRRPDQCFWNV-MRXNPFEDSA-N 0 3 291.391 2.576 20 30 CFEDHN CN1CC[C@H]2CCN(c3ccc4cc(C#N)ccc4n3)[C@@H]2C1 ZINC000361069253 381801193 /nfs/dbraw/zinc/80/11/93/381801193.db2.gz SIIRRUAGXXPPQL-WMLDXEAASA-N 0 3 292.386 2.637 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000361150941 381805794 /nfs/dbraw/zinc/80/57/94/381805794.db2.gz CPITXXDWEAOQCR-LSDHHAIUSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCOc1ccccc1CN(CC)[C@H]1CCOC1 ZINC000361235451 381812889 /nfs/dbraw/zinc/81/28/89/381812889.db2.gz BJFPZVWLKNURNB-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN CCN(Cc1cccc(OCCCC#N)c1)[C@@H]1CCOC1 ZINC000361252525 381815877 /nfs/dbraw/zinc/81/58/77/381815877.db2.gz PEXQNLNFGKWBNC-MRXNPFEDSA-N 0 3 288.391 2.980 20 30 CFEDHN CN1CCC[C@]2(CCN(c3cccc(F)c3C#N)C2)C1 ZINC000292647104 381816910 /nfs/dbraw/zinc/81/69/10/381816910.db2.gz BJIORQPOOHIKOE-INIZCTEOSA-N 0 3 273.355 2.619 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(C#N)o1 ZINC000349080847 381818287 /nfs/dbraw/zinc/81/82/87/381818287.db2.gz RDDMWPIBCSFGCS-UHFFFAOYSA-N 0 3 283.331 2.508 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000343664292 381876133 /nfs/dbraw/zinc/87/61/33/381876133.db2.gz UQJHJTLZYGZUFM-XCBNKYQSSA-N 0 3 274.217 2.705 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1OC ZINC000292812772 381846630 /nfs/dbraw/zinc/84/66/30/381846630.db2.gz OXIOHOMLORZQHQ-ZFWWWQNUSA-N 0 3 291.391 2.605 20 30 CFEDHN C=CCc1cc(CN(C)C(C)(C)COC)cc(OC)c1O ZINC000292852324 381865360 /nfs/dbraw/zinc/86/53/60/381865360.db2.gz UIFMETXHPDERSH-UHFFFAOYSA-N 0 3 293.407 2.986 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CO ZINC000362072478 381897143 /nfs/dbraw/zinc/89/71/43/381897143.db2.gz NQWLFLRTDKXJEY-TZMCWYRMSA-N 0 3 297.320 2.617 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000362147286 381928659 /nfs/dbraw/zinc/92/86/59/381928659.db2.gz QALUBEOWDNUIIP-KKUMJFAQSA-N 0 3 266.429 2.968 20 30 CFEDHN N#Cc1csc(CNCCn2cnc3ccccc32)c1 ZINC000343809136 381955284 /nfs/dbraw/zinc/95/52/84/381955284.db2.gz NLTCNXFWSQYYGX-UHFFFAOYSA-N 0 3 282.372 2.759 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000362156485 381933262 /nfs/dbraw/zinc/93/32/62/381933262.db2.gz YTGGSYADSDFUBE-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)[C@H](NCC#Cc1ccccc1)C1(CO)CCC1 ZINC000293061063 381972961 /nfs/dbraw/zinc/97/29/61/381972961.db2.gz NPSSNXQXVUHVTQ-KRWDZBQOSA-N 0 3 271.404 2.815 20 30 CFEDHN CC(C)[C@@H]1CN(CCOc2ccccc2C#N)CCCO1 ZINC000293118828 381996332 /nfs/dbraw/zinc/99/63/32/381996332.db2.gz MDBCSNYQPXUHBL-KRWDZBQOSA-N 0 3 288.391 2.684 20 30 CFEDHN C#CCOc1ccccc1CNCCC1(OC)CCC1 ZINC000293121822 381998652 /nfs/dbraw/zinc/99/86/52/381998652.db2.gz ZGFBOPJLCYEDPR-UHFFFAOYSA-N 0 3 273.376 2.747 20 30 CFEDHN C=CCN(Cc1cccc(OCCOC)c1)C1CC1 ZINC000350266103 382010147 /nfs/dbraw/zinc/01/01/47/382010147.db2.gz MIJZKGAUXPSHMV-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@H](CN[C@@H]1CCC[C@H]1C#N)CC1CCOCC1 ZINC000350353884 382011953 /nfs/dbraw/zinc/01/19/53/382011953.db2.gz JZDHLTMLGLNAIL-AEGPPILISA-N 0 3 250.386 2.721 20 30 CFEDHN CC(C)(CO)[C@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC000293063363 381974554 /nfs/dbraw/zinc/97/45/54/381974554.db2.gz NRWXPAIXRXHLTN-OAHLLOKOSA-N 0 3 276.355 2.584 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](CC)CC1 ZINC000343909065 382015071 /nfs/dbraw/zinc/01/50/71/382015071.db2.gz BKYCOQDMRHWQHC-OAHLLOKOSA-N 0 3 264.413 2.699 20 30 CFEDHN CCCN1CCC[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000343908929 382015219 /nfs/dbraw/zinc/01/52/19/382015219.db2.gz IUZOUAJRLHVOER-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN CCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1OC ZINC000349806352 381990697 /nfs/dbraw/zinc/99/06/97/381990697.db2.gz YKHZYHBLGRFZHI-GXTWGEPZSA-N 0 3 274.364 2.876 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](CO)C/C=C\C)c1 ZINC000349827302 381992445 /nfs/dbraw/zinc/99/24/45/381992445.db2.gz IPYPGOLXDLOGJU-UYWPIULCSA-N 0 3 261.365 2.668 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)Cc1cccc(C#N)c1 ZINC000343869514 381994471 /nfs/dbraw/zinc/99/44/71/381994471.db2.gz CNYRQQNVJZRXRV-UHFFFAOYSA-N 0 3 274.364 2.722 20 30 CFEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)C(C)C#N ZINC000351596077 382046518 /nfs/dbraw/zinc/04/65/18/382046518.db2.gz RRBYAIWFAGFBML-KWBADKCTSA-N 0 3 280.755 2.692 20 30 CFEDHN C=CCCCN(C)Cc1ccc2c(c1)oc(=O)n2C ZINC000351641860 382050828 /nfs/dbraw/zinc/05/08/28/382050828.db2.gz RPVNAXBLZOZXPR-UHFFFAOYSA-N 0 3 260.337 2.530 20 30 CFEDHN C=CCCCCNC(=O)NCCN1CCCC[C@H]1CC ZINC000351685196 382054937 /nfs/dbraw/zinc/05/49/37/382054937.db2.gz MJFYMPORVMRRBV-OAHLLOKOSA-N 0 3 281.444 2.906 20 30 CFEDHN C=CCOCCN1CCSC[C@H]1c1ccccc1 ZINC000293288571 382064238 /nfs/dbraw/zinc/06/42/38/382064238.db2.gz YVPPLKINQQNJCE-HNNXBMFYSA-N 0 3 263.406 2.979 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC(C)(C)C2)CC1 ZINC000351832491 382065288 /nfs/dbraw/zinc/06/52/88/382065288.db2.gz MVCVSMQOLYBSFE-AWEZNQCLSA-N 0 3 279.428 2.515 20 30 CFEDHN CC#CCN(C)CCCc1nc(-c2ccccc2)no1 ZINC000293188996 382025416 /nfs/dbraw/zinc/02/54/16/382025416.db2.gz QBUROBSWIWLCEH-UHFFFAOYSA-N 0 3 269.348 2.624 20 30 CFEDHN CC(C)[C@@H](NCC#Cc1ccc(F)cc1)C1(CO)CCC1 ZINC000293193512 382026406 /nfs/dbraw/zinc/02/64/06/382026406.db2.gz WOADEPQPQQUBRO-QGZVFWFLSA-N 0 3 289.394 2.954 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418042968 382115179 /nfs/dbraw/zinc/11/51/79/382115179.db2.gz YFNBPPRQMVPPNL-MRXNPFEDSA-N 0 3 289.423 2.904 20 30 CFEDHN C#CCNC(=O)CCN1CCC[C@H]1c1ccccc1Cl ZINC000293424030 382118255 /nfs/dbraw/zinc/11/82/55/382118255.db2.gz IXDINTYSPJAJDL-HNNXBMFYSA-N 0 3 290.794 2.616 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCCCC[C@@H]32)CC1 ZINC000376192974 382124599 /nfs/dbraw/zinc/12/45/99/382124599.db2.gz BSULWOCZGVUZKS-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC2(CC2)C1 ZINC000186993780 382071980 /nfs/dbraw/zinc/07/19/80/382071980.db2.gz SKYYKADNHHKXOQ-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000344030005 382078188 /nfs/dbraw/zinc/07/81/88/382078188.db2.gz BMDPDBYKCGFMNB-HNNXBMFYSA-N 0 3 283.375 2.785 20 30 CFEDHN COc1ccc(CN2CC[C@@H](C3CC3)C2)cc1C#N ZINC000344029678 382078467 /nfs/dbraw/zinc/07/84/67/382078467.db2.gz LDKYEFCGXBYXCZ-CQSZACIVSA-N 0 3 256.349 2.799 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@H](n2cncn2)C1 ZINC000375406343 382084281 /nfs/dbraw/zinc/08/42/81/382084281.db2.gz SKMOTRDJQVZQRH-AWEZNQCLSA-N 0 3 275.400 2.635 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293341272 382085195 /nfs/dbraw/zinc/08/51/95/382085195.db2.gz HCKZIFSRDFIUDP-MJBXVCDLSA-N 0 3 257.381 2.644 20 30 CFEDHN C[C@H](C#N)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375471595 382088712 /nfs/dbraw/zinc/08/87/12/382088712.db2.gz RBJHRMCFKPJGGX-FVQBIDKESA-N 0 3 257.381 2.571 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375496252 382088843 /nfs/dbraw/zinc/08/88/43/382088843.db2.gz MDROEXLXRBHXDF-HNNXBMFYSA-N 0 3 284.403 2.653 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000344169501 382176875 /nfs/dbraw/zinc/17/68/75/382176875.db2.gz BJOIZAIUUZHGNB-CYBMUJFWSA-N 0 3 275.421 2.726 20 30 CFEDHN CCOCCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000344106682 382134379 /nfs/dbraw/zinc/13/43/79/382134379.db2.gz HLIAELDALLKJIA-UHFFFAOYSA-N 0 3 258.365 2.949 20 30 CFEDHN COc1cccc(N2CC[C@H](NCc3ccc(C#N)o3)C2)c1 ZINC000344112159 382136140 /nfs/dbraw/zinc/13/61/40/382136140.db2.gz ZSKHDOKHTUXUGN-ZDUSSCGKSA-N 0 3 297.358 2.528 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000344118810 382140382 /nfs/dbraw/zinc/14/03/82/382140382.db2.gz AGHSYUXWPZLZLY-BPLDGKMQSA-N 0 3 256.349 2.989 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000301313431 382145355 /nfs/dbraw/zinc/14/53/55/382145355.db2.gz DTWAOPNDNXEVRV-INIZCTEOSA-N 0 3 277.408 2.941 20 30 CFEDHN Cc1ccc(CN(C(=O)C(C)C#N)C(C)C)s1 ZINC000344138088 382152991 /nfs/dbraw/zinc/15/29/91/382152991.db2.gz TUZJWFDRRNZZGU-JTQLQIEISA-N 0 3 250.367 2.953 20 30 CFEDHN CN(CCc1ccccc1O)Cc1ccc(C#N)cc1 ZINC000344144521 382157361 /nfs/dbraw/zinc/15/73/61/382157361.db2.gz CAFFTCMMIPZGJW-UHFFFAOYSA-N 0 3 266.344 2.938 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000352171567 382206204 /nfs/dbraw/zinc/20/62/04/382206204.db2.gz RFSDUCAQMKXWFR-AWEZNQCLSA-N 0 3 277.343 2.803 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000345102196 382283967 /nfs/dbraw/zinc/28/39/67/382283967.db2.gz GIVPYRICGWHKDC-LHLIQPBNSA-N 0 3 292.207 2.844 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345113673 382285166 /nfs/dbraw/zinc/28/51/66/382285166.db2.gz PWKCSZWIAVYHEN-HIFRSBDPSA-N 0 3 285.391 2.678 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345117902 382285183 /nfs/dbraw/zinc/28/51/83/382285183.db2.gz WYIBQLKOPJRTGF-LSDHHAIUSA-N 0 3 299.418 2.905 20 30 CFEDHN Cc1ccc(NCCN(C)Cc2ccc(F)cc2)nc1C#N ZINC000302686763 382292457 /nfs/dbraw/zinc/29/24/57/382292457.db2.gz YJNHSXMGTFQGCF-UHFFFAOYSA-N 0 3 298.365 2.945 20 30 CFEDHN COC1(C(F)(F)F)CCN(CCCSCC#N)CC1 ZINC000419321907 382286183 /nfs/dbraw/zinc/28/61/83/382286183.db2.gz GCNHDBVTUJCMPV-UHFFFAOYSA-N 0 3 296.358 2.677 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000363740436 382245084 /nfs/dbraw/zinc/24/50/84/382245084.db2.gz WAFIEUASLBHUNU-OKZBNKHCSA-N 0 3 298.430 2.899 20 30 CFEDHN CCOCCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000357603035 382247901 /nfs/dbraw/zinc/24/79/01/382247901.db2.gz ODNNRWALEYYCBG-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN C=CC(C)(C)CN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000419228318 382251323 /nfs/dbraw/zinc/25/13/23/382251323.db2.gz MDPASWUSHRMULR-HNNXBMFYSA-N 0 3 272.392 2.808 20 30 CFEDHN C[C@@H](NCc1ccc(OCCO)cc1)c1cccc(C#N)c1 ZINC000344288599 382253165 /nfs/dbraw/zinc/25/31/65/382253165.db2.gz JPVLPGHXTCSSEF-CQSZACIVSA-N 0 3 296.370 2.780 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000187715799 382255373 /nfs/dbraw/zinc/25/53/73/382255373.db2.gz PJKOXTWJVWQWHU-ZBFHGGJFSA-N 0 3 295.390 2.623 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@H]2CCCO[C@H]21 ZINC000344293821 382256189 /nfs/dbraw/zinc/25/61/89/382256189.db2.gz RISHTMIEUYVKGE-FVQBIDKESA-N 0 3 288.366 2.991 20 30 CFEDHN C=CCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000419247785 382260000 /nfs/dbraw/zinc/26/00/00/382260000.db2.gz CGMZRNKZWOJHSM-INIZCTEOSA-N 0 3 297.402 2.811 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)CCC[C@@H]1C ZINC000357713764 382291256 /nfs/dbraw/zinc/29/12/56/382291256.db2.gz FRMZQLHMOAROQE-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000345773720 382311629 /nfs/dbraw/zinc/31/16/29/382311629.db2.gz ZGCXXTCCGLHFJD-LBPRGKRZSA-N 0 3 274.364 2.778 20 30 CFEDHN CC(C#N)C(=O)NCc1ccccc1OC1CCCC1 ZINC000345785902 382312800 /nfs/dbraw/zinc/31/28/00/382312800.db2.gz POPFAEBPVXBQDY-LBPRGKRZSA-N 0 3 272.348 2.784 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419391730 382313709 /nfs/dbraw/zinc/31/37/09/382313709.db2.gz KFOWIVKIFKKJEP-CBBWQLFWSA-N 0 3 291.439 2.694 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC[C@@H](C)C1 ZINC000187984981 382316753 /nfs/dbraw/zinc/31/67/53/382316753.db2.gz KRXRMXUDNGCSBD-CABCVRRESA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)CCN1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000352413111 382316850 /nfs/dbraw/zinc/31/68/50/382316850.db2.gz LVUGUCWXPJCULH-ROUUACIJSA-N 0 3 286.419 2.538 20 30 CFEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000357786165 382320558 /nfs/dbraw/zinc/32/05/58/382320558.db2.gz ABABYYUBBITJSP-FZMZJTMJSA-N 0 3 260.337 2.668 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000188033769 382329522 /nfs/dbraw/zinc/32/95/22/382329522.db2.gz YAZCEZLMXNOFTB-KDOFPFPSSA-N 0 3 297.402 2.794 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000346065203 382331078 /nfs/dbraw/zinc/33/10/78/382331078.db2.gz YJSCAVUSGDLNRR-HZPDHXFCSA-N 0 3 289.423 2.943 20 30 CFEDHN C=C[C@H](CO)NCc1cccc(OCc2ccccc2)c1 ZINC000352452200 382339718 /nfs/dbraw/zinc/33/97/18/382339718.db2.gz CFSDKUYDQKAMBG-QGZVFWFLSA-N 0 3 283.371 2.902 20 30 CFEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364630049 382342983 /nfs/dbraw/zinc/34/29/83/382342983.db2.gz NQRMMMOTDLUTHY-FVQBIDKESA-N 0 3 288.366 2.943 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419365889 382299026 /nfs/dbraw/zinc/29/90/26/382299026.db2.gz YPWFMOWCPZETNB-AWEZNQCLSA-N 0 3 299.418 2.977 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OCc1ccccn1 ZINC000680484186 542330500 /nfs/dbraw/zinc/33/05/00/542330500.db2.gz GRIJMEFPTXBBNJ-INIZCTEOSA-N 0 3 298.386 2.687 20 30 CFEDHN C=CCC(C)(C)CNCc1ncc(C2OCCO2)s1 ZINC000294014955 382378370 /nfs/dbraw/zinc/37/83/70/382378370.db2.gz UNKLLDBZOHJVIR-UHFFFAOYSA-N 0 3 282.409 2.880 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)s2)[C@@H]2CCCO[C@@H]21 ZINC000378012668 382384679 /nfs/dbraw/zinc/38/46/79/382384679.db2.gz VFTLYQGVSRVXIV-MJBXVCDLSA-N 0 3 276.405 2.913 20 30 CFEDHN CC(C)C1(C)CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346517169 382393545 /nfs/dbraw/zinc/39/35/45/382393545.db2.gz CYBMEPSGKNPZCP-CQSZACIVSA-N 0 3 291.439 2.695 20 30 CFEDHN N#Cc1csc(CN(CCO)C2CCCCC2)c1 ZINC000305156385 382429444 /nfs/dbraw/zinc/42/94/44/382429444.db2.gz AERQJRWGTACNIM-UHFFFAOYSA-N 0 3 264.394 2.747 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)Nc1cncc(C#N)n1)N(C)C ZINC000420636278 382437687 /nfs/dbraw/zinc/43/76/87/382437687.db2.gz MDPAXCDMANJQFJ-GUYCJALGSA-N 0 3 295.390 2.760 20 30 CFEDHN N#CCCCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000305366636 382439988 /nfs/dbraw/zinc/43/99/88/382439988.db2.gz VWCLZXLVJZNWFK-MRXNPFEDSA-N 0 3 258.365 2.563 20 30 CFEDHN C[C@H](O)CC(C)(C)CNCc1cc(C#N)cs1 ZINC000304619887 382413599 /nfs/dbraw/zinc/41/35/99/382413599.db2.gz HUXKDNWMSMHOIR-JTQLQIEISA-N 0 3 252.383 2.506 20 30 CFEDHN CC[C@H](C)[C@](C)(O)CNCc1cc(C#N)cs1 ZINC000304614410 382413804 /nfs/dbraw/zinc/41/38/04/382413804.db2.gz GCAOSLGNGJTXSP-GXFFZTMASA-N 0 3 252.383 2.506 20 30 CFEDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CC(C)(C)C#N ZINC000365993173 382470359 /nfs/dbraw/zinc/47/03/59/382470359.db2.gz ZRBXPWPKMVDULF-NVXWUHKLSA-N 0 3 299.418 2.660 20 30 CFEDHN C=CCN(CCC(=O)N1CCCCC1)CCc1ccco1 ZINC000352702579 382451296 /nfs/dbraw/zinc/45/12/96/382451296.db2.gz ZPOKCYAIIPGNGM-UHFFFAOYSA-N 0 3 290.407 2.713 20 30 CFEDHN C=CCCCCCN1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000365853391 382453867 /nfs/dbraw/zinc/45/38/67/382453867.db2.gz CGDMTEINGKONNM-UHFFFAOYSA-N 0 3 289.423 2.909 20 30 CFEDHN CCC(C)(C)OCCNCc1cc(C#N)cs1 ZINC000308549552 382478340 /nfs/dbraw/zinc/47/83/40/382478340.db2.gz UHUACSSMDQONBT-UHFFFAOYSA-N 0 3 252.383 2.915 20 30 CFEDHN CC(C)[C@H](NCCCCC#N)c1nnc2ccccn21 ZINC000352964666 382486515 /nfs/dbraw/zinc/48/65/15/382486515.db2.gz GYCAXRMTFBTYOI-AWEZNQCLSA-N 0 3 271.368 2.710 20 30 CFEDHN CC#CCCN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366532985 382525258 /nfs/dbraw/zinc/52/52/58/382525258.db2.gz GORRZLCDNZUBPD-GJZGRUSLSA-N 0 3 292.423 2.731 20 30 CFEDHN CSC[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000310919282 382498319 /nfs/dbraw/zinc/49/83/19/382498319.db2.gz FRZUEVHGWYOZJU-CYBMUJFWSA-N 0 3 261.394 2.528 20 30 CFEDHN CCN1CCc2c(cccc2NC(=O)C(C)(C)C#N)C1 ZINC000366353664 382499669 /nfs/dbraw/zinc/49/96/69/382499669.db2.gz DVVZHNVCYAESIQ-UHFFFAOYSA-N 0 3 271.364 2.553 20 30 CFEDHN N#CCCOCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420949677 382500553 /nfs/dbraw/zinc/50/05/53/382500553.db2.gz OYRBCNHOQDTGNT-LLVKDONJSA-N 0 3 264.291 2.581 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000420958999 382501350 /nfs/dbraw/zinc/50/13/50/382501350.db2.gz CSWKKMVBNDBUOH-WBVHZDCISA-N 0 3 291.439 2.553 20 30 CFEDHN COCC1(CNCc2nc(C#N)cs2)CCCCC1 ZINC000353158561 382502575 /nfs/dbraw/zinc/50/25/75/382502575.db2.gz WMHJYZQZSMFTEH-UHFFFAOYSA-N 0 3 279.409 2.701 20 30 CFEDHN C[C@@H](Cc1ccncc1)NCc1ccc(C#N)cc1F ZINC000358203275 382503755 /nfs/dbraw/zinc/50/37/55/382503755.db2.gz NFURBELXNAGSPC-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN C[C@@H](CCC#N)N1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421018451 382508042 /nfs/dbraw/zinc/50/80/42/382508042.db2.gz MQCXIDUVCYTMDU-RDBSUJKOSA-N 0 3 280.412 2.978 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](O)CC[C@H]2C)cc1OC ZINC000421373513 382513794 /nfs/dbraw/zinc/51/37/94/382513794.db2.gz MQEQPHOFZSPQGE-HIFRSBDPSA-N 0 3 291.391 2.605 20 30 CFEDHN N#CCCCN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000346801238 382519474 /nfs/dbraw/zinc/51/94/74/382519474.db2.gz RWUWXHNVYUCWQD-INIZCTEOSA-N 0 3 266.348 2.654 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000346844435 382541489 /nfs/dbraw/zinc/54/14/89/382541489.db2.gz LNYBLIPHIOTLPR-HNNXBMFYSA-N 0 3 265.784 2.917 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)Nc1ncccc1C#N ZINC000294903211 382542957 /nfs/dbraw/zinc/54/29/57/382542957.db2.gz HJEULTOUXOJPSN-HNNXBMFYSA-N 0 3 272.396 2.876 20 30 CFEDHN CC(C#N)C(=O)NC1CC(c2ccc(Cl)cc2)C1 ZINC000358338392 382576304 /nfs/dbraw/zinc/57/63/04/382576304.db2.gz SUQXETXYVPQQAI-CBZQXFMTSA-N 0 3 262.740 2.862 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1 ZINC000189125725 382549695 /nfs/dbraw/zinc/54/96/95/382549695.db2.gz VAQKETBHSMJWQG-UONOGXRCSA-N 0 3 261.365 2.602 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000294962349 382553753 /nfs/dbraw/zinc/55/37/53/382553753.db2.gz IHVNPPTVUDTHKN-KRWDZBQOSA-N 0 3 287.403 2.946 20 30 CFEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000680617202 542342405 /nfs/dbraw/zinc/34/24/05/542342405.db2.gz HZNADVMSTZNGRQ-CQSZACIVSA-N 0 3 281.315 2.754 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CN(C)Cc3ccccc32)cc1 ZINC000367307740 382563975 /nfs/dbraw/zinc/56/39/75/382563975.db2.gz KVJPARZSDFNVKD-IBGZPJMESA-N 0 3 276.383 2.944 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC(CF)CC1 ZINC000295050836 382567468 /nfs/dbraw/zinc/56/74/68/382567468.db2.gz BKFLVNGYDPULOM-UHFFFAOYSA-N 0 3 262.328 2.619 20 30 CFEDHN COc1cc(CN2CC[C@H](OC)C(C)(C)C2)ccc1C#N ZINC000295054908 382568522 /nfs/dbraw/zinc/56/85/22/382568522.db2.gz PVLKAFYBIMTKRX-INIZCTEOSA-N 0 3 288.391 2.814 20 30 CFEDHN CN(CCN[C@H]1CCc2ccc(C#N)cc21)CC(F)(F)F ZINC000353255729 382531837 /nfs/dbraw/zinc/53/18/37/382531837.db2.gz OBAMGGMKXMZZEQ-AWEZNQCLSA-N 0 3 297.324 2.629 20 30 CFEDHN CC[C@H](C)N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000346827135 382532093 /nfs/dbraw/zinc/53/20/93/382532093.db2.gz OTXRQBLZZOTHBN-HNNXBMFYSA-N 0 3 299.418 2.850 20 30 CFEDHN C=CCCN(C)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000346831429 382533623 /nfs/dbraw/zinc/53/36/23/382533623.db2.gz YMRYMKRZYZNACU-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCCC[C@H]1C ZINC000358405317 382602017 /nfs/dbraw/zinc/60/20/17/382602017.db2.gz YTQNTWWESVNKID-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN Cc1nc(NC[C@H]2CCCN(C)C2)c(Cl)cc1C#N ZINC000388300313 382605196 /nfs/dbraw/zinc/60/51/96/382605196.db2.gz DCTACDSLYKPVMW-LLVKDONJSA-N 0 3 278.787 2.669 20 30 CFEDHN C[C@H](CNC(=O)C1(C#N)CC(C)C1)N(C)Cc1ccccc1 ZINC000390801582 382618766 /nfs/dbraw/zinc/61/87/66/382618766.db2.gz ZQOJTTXKAPIYCJ-SWKXRBFHSA-N 0 3 299.418 2.563 20 30 CFEDHN CCc1nc(C2CCN(CC#Cc3ccccc3)CC2)n[nH]1 ZINC000190651399 382676379 /nfs/dbraw/zinc/67/63/79/382676379.db2.gz QCOCQUMTSBGRQL-UHFFFAOYSA-N 0 3 294.402 2.598 20 30 CFEDHN CCc1n[nH]c(C2CCN(CC#Cc3ccccc3)CC2)n1 ZINC000190651399 382676380 /nfs/dbraw/zinc/67/63/80/382676380.db2.gz QCOCQUMTSBGRQL-UHFFFAOYSA-N 0 3 294.402 2.598 20 30 CFEDHN CCc1nnc(C2CCN(CC#Cc3ccccc3)CC2)[nH]1 ZINC000190651399 382676382 /nfs/dbraw/zinc/67/63/82/382676382.db2.gz QCOCQUMTSBGRQL-UHFFFAOYSA-N 0 3 294.402 2.598 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCC2(C)OCCCO2)cc1 ZINC000190655054 382676737 /nfs/dbraw/zinc/67/67/37/382676737.db2.gz ZUQBETSCDYJPKV-AWEZNQCLSA-N 0 3 289.375 2.502 20 30 CFEDHN CCc1ccc(CNCc2cc(C#N)n(C)c2)s1 ZINC000190767487 382679917 /nfs/dbraw/zinc/67/99/17/382679917.db2.gz JMEJFDNAPVFHTN-UHFFFAOYSA-N 0 3 259.378 2.810 20 30 CFEDHN COc1cc(CN[C@H]2CS[C@H](C)C2)ccc1C#N ZINC000397951383 382635194 /nfs/dbraw/zinc/63/51/94/382635194.db2.gz ZUAYJKBYMLAVFY-ZWNOBZJWSA-N 0 3 262.378 2.550 20 30 CFEDHN COC(=O)c1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000399360043 382638792 /nfs/dbraw/zinc/63/87/92/382638792.db2.gz PPVRCYQIGIELME-UHFFFAOYSA-N 0 3 286.375 2.989 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)CC1CCCC1 ZINC000191297268 382697951 /nfs/dbraw/zinc/69/79/51/382697951.db2.gz GWUKHBUOZOEZAL-KRWDZBQOSA-N 0 3 272.392 2.931 20 30 CFEDHN C=CCC1(C(=O)NC2CCN(CC(=C)C)CC2)CCC1 ZINC000191366459 382699196 /nfs/dbraw/zinc/69/91/96/382699196.db2.gz KEJZSFFHJCGNBK-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN CCSCC[C@H](C)N(C)Cc1cc(C#N)n(C)c1 ZINC000191434313 382700307 /nfs/dbraw/zinc/70/03/07/382700307.db2.gz ZRPPURHDTFSSPS-LBPRGKRZSA-N 0 3 265.426 2.860 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000191446956 382700475 /nfs/dbraw/zinc/70/04/75/382700475.db2.gz OATHNKFSMXKQES-CVEARBPZSA-N 0 3 287.407 2.676 20 30 CFEDHN Cn1cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1C#N ZINC000191442401 382700558 /nfs/dbraw/zinc/70/05/58/382700558.db2.gz DCAZLEBQKZFRED-ZBFHGGJFSA-N 0 3 299.374 2.578 20 30 CFEDHN C=CCN(CCOC)Cc1cccc2cccnc21 ZINC000191756473 382702376 /nfs/dbraw/zinc/70/23/76/382702376.db2.gz BBTLKYINFWGKLH-UHFFFAOYSA-N 0 3 256.349 2.869 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000192034131 382704327 /nfs/dbraw/zinc/70/43/27/382704327.db2.gz VYABPSGOECYGES-IAGOWNOFSA-N 0 3 257.377 2.664 20 30 CFEDHN C#CCCCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000192345080 382707465 /nfs/dbraw/zinc/70/74/65/382707465.db2.gz NDKMDHRCFQCQHD-KRWDZBQOSA-N 0 3 298.430 2.913 20 30 CFEDHN COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C2 ZINC000192816983 382712703 /nfs/dbraw/zinc/71/27/03/382712703.db2.gz ICSBEMHSPIBVEO-NWANDNLSSA-N 0 3 286.375 2.671 20 30 CFEDHN C[C@@](O)(CN[C@@H]1CCC[C@H](C#N)C1)c1cccs1 ZINC000192887688 382713404 /nfs/dbraw/zinc/71/34/04/382713404.db2.gz DAANZDCGFBWGHM-OUCADQQQSA-N 0 3 264.394 2.628 20 30 CFEDHN C=CCCCCCN1CCCN(C(=O)C(C)C)CC1 ZINC000193331031 382718782 /nfs/dbraw/zinc/71/87/82/382718782.db2.gz KRULJNBBVLROGJ-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000194173225 382736698 /nfs/dbraw/zinc/73/66/98/382736698.db2.gz HLJJYWBRQCUOOS-KBPBESRZSA-N 0 3 269.772 2.554 20 30 CFEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)o1 ZINC000195198163 382763647 /nfs/dbraw/zinc/76/36/47/382763647.db2.gz KLQYQPTXFVEACL-OAHLLOKOSA-N 0 3 262.353 2.932 20 30 CFEDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C#N)o2)C1 ZINC000195194856 382763804 /nfs/dbraw/zinc/76/38/04/382763804.db2.gz IHIWJQQZRGEIBS-INIZCTEOSA-N 0 3 290.363 2.562 20 30 CFEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C(C1CC1)C1CC1 ZINC000195229077 382764617 /nfs/dbraw/zinc/76/46/17/382764617.db2.gz IKAUJBBINBPGNR-UHFFFAOYSA-N 0 3 283.375 2.617 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccc(C)s2)C1=O ZINC000337187944 382773183 /nfs/dbraw/zinc/77/31/83/382773183.db2.gz PYCKZDGAHCYYDX-KGLIPLIRSA-N 0 3 290.432 2.980 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(C)(C(C)C)CC2)C1=O ZINC000337205594 382776768 /nfs/dbraw/zinc/77/67/68/382776768.db2.gz KXLNZTQFWGAMJM-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3cc(C)cc(C)c3)C2)C1=O ZINC000337205626 382776911 /nfs/dbraw/zinc/77/69/11/382776911.db2.gz KYOUVKGMUMBNPX-WMZOPIPTSA-N 0 3 298.430 2.880 20 30 CFEDHN C[C@@H]1COC(C)(C)CN1CCCC1(C#N)CCOCC1 ZINC000337207679 382777296 /nfs/dbraw/zinc/77/72/96/382777296.db2.gz PBCBDHGKHVNEHF-CQSZACIVSA-N 0 3 280.412 2.586 20 30 CFEDHN CCO[C@H](CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000194462553 382744753 /nfs/dbraw/zinc/74/47/53/382744753.db2.gz NEOUQQPLQHJDLH-QGZVFWFLSA-N 0 3 283.375 2.764 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)o1 ZINC000337277132 382792395 /nfs/dbraw/zinc/79/23/95/382792395.db2.gz GRDRMZNBTLVKDS-VXGBXAGGSA-N 0 3 270.279 2.791 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1F)C1CCOCC1 ZINC000223841126 382807301 /nfs/dbraw/zinc/80/73/01/382807301.db2.gz MMNNVOLPSNNQGO-NSHDSACASA-N 0 3 262.328 2.602 20 30 CFEDHN CCN(CCCCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000493982890 382907924 /nfs/dbraw/zinc/90/79/24/382907924.db2.gz UHGNPIIRKZHUDN-UHFFFAOYSA-N 0 3 281.400 2.621 20 30 CFEDHN N#CC1CCC(CNCc2ccn(C(F)F)n2)CC1 ZINC000441385758 382912602 /nfs/dbraw/zinc/91/26/02/382912602.db2.gz OIKBMLNWBZVPBZ-UHFFFAOYSA-N 0 3 268.311 2.698 20 30 CFEDHN C=C[C@@H](CC(=O)NCCN1CC[C@H](C)C1)c1ccccc1 ZINC000533928568 382912592 /nfs/dbraw/zinc/91/25/92/382912592.db2.gz SMIMYNWDTANFRO-HOTGVXAUSA-N 0 3 286.419 2.804 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441356706 382909004 /nfs/dbraw/zinc/90/90/04/382909004.db2.gz LNOASUADWBXLIK-IRXDYDNUSA-N 0 3 286.419 2.865 20 30 CFEDHN CCOC[C@@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000233734433 382871567 /nfs/dbraw/zinc/87/15/67/382871567.db2.gz HYIJBHSVYBIVDZ-OAHLLOKOSA-N 0 3 264.344 2.848 20 30 CFEDHN N#Cc1cnn2cc(CN[C@@H]3C[C@@H]3C3CCCCC3)cnc12 ZINC000577850737 382872884 /nfs/dbraw/zinc/87/28/84/382872884.db2.gz IRLANHGQYFEZEU-HZPDHXFCSA-N 0 3 295.390 2.659 20 30 CFEDHN COc1ccccc1SC[C@H](C)CNC(=O)C(C)C#N ZINC000347119426 532960151 /nfs/dbraw/zinc/96/01/51/532960151.db2.gz XALCXWUMFPVKOC-NEPJUHHUSA-N 0 3 292.404 2.699 20 30 CFEDHN COc1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000234994273 382876130 /nfs/dbraw/zinc/87/61/30/382876130.db2.gz ZNOAZYQNTISQPB-UHFFFAOYSA-N 0 3 282.343 2.865 20 30 CFEDHN C/C(=C/c1ccccc1)CN(C)CCC(=O)N(C)CCC#N ZINC000494233872 382910844 /nfs/dbraw/zinc/91/08/44/382910844.db2.gz LOPWJZLBEFAQQB-PEZBUJJGSA-N 0 3 299.418 2.784 20 30 CFEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@H](c1ccccc1)N(C)C ZINC000578065061 382886926 /nfs/dbraw/zinc/88/69/26/382886926.db2.gz CVBQZFNVIIRXAP-YQQAZPJKSA-N 0 3 284.407 2.711 20 30 CFEDHN C[C@@H]1OCC[C@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000494242327 382911413 /nfs/dbraw/zinc/91/14/13/382911413.db2.gz ROEMZMZMHKRDIB-WFASDCNBSA-N 0 3 263.768 2.849 20 30 CFEDHN CCOC[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000494224792 382911600 /nfs/dbraw/zinc/91/16/00/382911600.db2.gz VTEGTCZXSGZUMF-AWEZNQCLSA-N 0 3 276.380 2.884 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000338012416 382901182 /nfs/dbraw/zinc/90/11/82/382901182.db2.gz QMWPWKJKYTYANR-HZSPNIEDSA-N 0 3 277.412 2.590 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H](N)[C@H](C)CC)c1 ZINC000237008472 382943734 /nfs/dbraw/zinc/94/37/34/382943734.db2.gz WTEHKNPJTJDHGS-BXUZGUMPSA-N 0 3 262.353 2.563 20 30 CFEDHN C=CCCCCCN(C)C(=O)C1(N)CCCCC1 ZINC000237043826 382947100 /nfs/dbraw/zinc/94/71/00/382947100.db2.gz DNLIORPSZLTZKH-UHFFFAOYSA-N 0 3 252.402 2.853 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@]1(C)CCCCN1 ZINC000237045022 382947689 /nfs/dbraw/zinc/94/76/89/382947689.db2.gz BSDKBIRXVVJQMZ-OAHLLOKOSA-N 0 3 252.402 2.723 20 30 CFEDHN C[C@H](C(=O)NCC1CCC(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000442984194 382964250 /nfs/dbraw/zinc/96/42/50/382964250.db2.gz RUTANAHZPMVXIH-AUVVZJRPSA-N 0 3 291.439 2.694 20 30 CFEDHN CCN(CC)C(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442712706 382948657 /nfs/dbraw/zinc/94/86/57/382948657.db2.gz GYGPWQVBGXUNQW-RDJZCZTQSA-N 0 3 299.418 2.950 20 30 CFEDHN C[C@H](COc1cccc(F)c1)N[C@H]1CC[C@H](C#N)C1 ZINC000442718603 382949408 /nfs/dbraw/zinc/94/94/08/382949408.db2.gz PGMBOTFJKHHPQR-DYEKYZERSA-N 0 3 262.328 2.875 20 30 CFEDHN C=CCCN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000494995022 382951752 /nfs/dbraw/zinc/95/17/52/382951752.db2.gz XYBRGTNBVYRZMP-UONOGXRCSA-N 0 3 298.427 2.567 20 30 CFEDHN C=CCc1cc(CN(C)CC(C)(C)OC)cc(OC)c1O ZINC000535851091 382955863 /nfs/dbraw/zinc/95/58/63/382955863.db2.gz FSDCNXKARPURLD-UHFFFAOYSA-N 0 3 293.407 2.986 20 30 CFEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)C2CCCC2)nc1 ZINC000578834545 382957992 /nfs/dbraw/zinc/95/79/92/382957992.db2.gz BBENMIMIVPBYAH-QGZVFWFLSA-N 0 3 285.391 2.877 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)s1)C1CCCC1 ZINC000421887899 382961398 /nfs/dbraw/zinc/96/13/98/382961398.db2.gz SXPLSJVSTLOBRI-AWEZNQCLSA-N 0 3 264.394 2.915 20 30 CFEDHN CN1CCN(Cc2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442874406 382961943 /nfs/dbraw/zinc/96/19/43/382961943.db2.gz NBLXXDHDUQIXPC-CRAIPNDOSA-N 0 3 298.434 2.538 20 30 CFEDHN C[C@H]1C[C@H](C)N(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441429286 382914634 /nfs/dbraw/zinc/91/46/34/382914634.db2.gz OMGXSGRXBHKLDZ-RYUDHWBXSA-N 0 3 282.347 2.839 20 30 CFEDHN N#CCC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000540993254 382963641 /nfs/dbraw/zinc/96/36/41/382963641.db2.gz IBMQMIMDBMHWLO-UHFFFAOYSA-N 0 3 272.348 2.583 20 30 CFEDHN Cc1nccn1-c1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000444450897 382973494 /nfs/dbraw/zinc/97/34/94/382973494.db2.gz QWWSEJQTFBNQEV-NWDGAFQWSA-N 0 3 282.347 2.518 20 30 CFEDHN C=CCN(Cc1ccc(-n2cncn2)c(F)c1)C1CC1 ZINC000544598136 382975470 /nfs/dbraw/zinc/97/54/70/382975470.db2.gz BYWKPHVXPSSMJD-UHFFFAOYSA-N 0 3 272.327 2.557 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000545228484 382976351 /nfs/dbraw/zinc/97/63/51/382976351.db2.gz IPEBSWRWHPTIFS-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CC[C@H]1N(Cc2n[nH]c(CC)n2)CCCC1(C)C ZINC000444780275 382980346 /nfs/dbraw/zinc/98/03/46/382980346.db2.gz DNXHPIVURMXAHJ-GFCCVEGCSA-N 0 3 262.401 2.934 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000444758956 382980994 /nfs/dbraw/zinc/98/09/94/382980994.db2.gz HNOIVAFHZXHWNL-GJZGRUSLSA-N 0 3 268.445 2.508 20 30 CFEDHN C=CCNC1(c2ccc(OC)c(F)c2)CCOCC1 ZINC000444805259 382981659 /nfs/dbraw/zinc/98/16/59/382981659.db2.gz JZDGUUSQRVOXGC-UHFFFAOYSA-N 0 3 265.328 2.616 20 30 CFEDHN CC(C)[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000446732420 382991062 /nfs/dbraw/zinc/99/10/62/382991062.db2.gz RFHQAUNFTCQEQC-CABCVRRESA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCOCCCN1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000495514301 382992842 /nfs/dbraw/zinc/99/28/42/382992842.db2.gz UGYKDLRCQKRRET-CQSZACIVSA-N 0 3 298.427 2.568 20 30 CFEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1C ZINC000245431933 383000928 /nfs/dbraw/zinc/00/09/28/383000928.db2.gz BACXIWROKOCVRE-DGNOSDGRSA-N 0 3 291.439 2.790 20 30 CFEDHN CCOC(=O)c1coc(CNCC2CCC(C#N)CC2)c1 ZINC000443065544 382965671 /nfs/dbraw/zinc/96/56/71/382965671.db2.gz QOMGGROKZSJOEX-UHFFFAOYSA-N 0 3 290.363 2.876 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CC)C1 ZINC000338407041 383016174 /nfs/dbraw/zinc/01/61/74/383016174.db2.gz GCGIHQGDWXDYFZ-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC1(C)C)C(C)C ZINC000338272983 382970967 /nfs/dbraw/zinc/97/09/67/382970967.db2.gz VRMPXXLSPAFNAT-GJZGRUSLSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCC1(C(=O)NCCN2CC[C@H](C)C2)CCCC1 ZINC000579674081 383040756 /nfs/dbraw/zinc/04/07/56/383040756.db2.gz YCHNGIOTTSWWEE-AWEZNQCLSA-N 0 3 264.413 2.581 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000245866281 383042313 /nfs/dbraw/zinc/04/23/13/383042313.db2.gz GDLJECUIPXEQJC-HOCLYGCPSA-N 0 3 286.375 2.568 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@](C)(CNCCC#N)C1 ZINC000496236107 383079288 /nfs/dbraw/zinc/07/92/88/383079288.db2.gz IXYDVVRWBRBKEZ-OAHLLOKOSA-N 0 3 281.400 2.527 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000579995461 383074991 /nfs/dbraw/zinc/07/49/91/383074991.db2.gz MCCQCUKCICPUFK-GMTAPVOTSA-N 0 3 262.740 2.862 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C(=O)OC(C)(C)C ZINC000579468425 383019148 /nfs/dbraw/zinc/01/91/48/383019148.db2.gz BYCHGYOEXINXON-TUVASFSCSA-N 0 3 292.423 2.978 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000245666173 383019230 /nfs/dbraw/zinc/01/92/30/383019230.db2.gz QZNOVDNQZGCRJP-HOCLYGCPSA-N 0 3 272.392 2.557 20 30 CFEDHN C#CCCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245662978 383019268 /nfs/dbraw/zinc/01/92/68/383019268.db2.gz QDONWNCNYNJJIJ-DLBZAZTESA-N 0 3 299.418 2.535 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNCc1ccc(C#N)s1 ZINC000447899635 383027828 /nfs/dbraw/zinc/02/78/28/383027828.db2.gz VJMRHLDYLAZJNY-CQSZACIVSA-N 0 3 277.437 2.830 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC[C@@H](SC)C1 ZINC000246928799 383122841 /nfs/dbraw/zinc/12/28/41/383122841.db2.gz SXQMXFCFNGQKSC-LSDHHAIUSA-N 0 3 296.480 2.793 20 30 CFEDHN C[C@H](C#N)CNC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496702929 383123606 /nfs/dbraw/zinc/12/36/06/383123606.db2.gz QOQGNDHZGJISRX-HZSPNIEDSA-N 0 3 295.427 2.771 20 30 CFEDHN N#CC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000597905101 383128599 /nfs/dbraw/zinc/12/85/99/383128599.db2.gz MVXTWHMALMVHRF-SJORKVTESA-N 0 3 295.386 2.911 20 30 CFEDHN C=CCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000497079202 383129883 /nfs/dbraw/zinc/12/98/83/383129883.db2.gz HXJTWAUMVVFSFV-UHFFFAOYSA-N 0 3 254.374 2.552 20 30 CFEDHN Cn1cncc1CCCN(CCC#N)CC(C)(C)C ZINC000580900210 383081504 /nfs/dbraw/zinc/08/15/04/383081504.db2.gz JEXCOHNMUKGNGA-UHFFFAOYSA-N 0 3 262.401 2.614 20 30 CFEDHN C[C@@H]1[C@@H](NC[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000580948238 383082161 /nfs/dbraw/zinc/08/21/61/383082161.db2.gz LVFBDIBELJZZQB-NXHRZFHOSA-N 0 3 296.418 2.683 20 30 CFEDHN C=CCC1(C(=O)NC2CCN(C)CC2)CCCCC1 ZINC000448598223 383082361 /nfs/dbraw/zinc/08/23/61/383082361.db2.gz OAJTZOKYUUWLAT-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCCCN1CCC[C@H](NC(=O)OCC)C1 ZINC000496286380 383083742 /nfs/dbraw/zinc/08/37/42/383083742.db2.gz VCWYMCGCSUXUEI-ZDUSSCGKSA-N 0 3 254.374 2.553 20 30 CFEDHN C=CCN(C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000496319532 383087506 /nfs/dbraw/zinc/08/75/06/383087506.db2.gz CWRMBROLEMZLPX-GUYCJALGSA-N 0 3 292.423 2.894 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496343885 383090574 /nfs/dbraw/zinc/09/05/74/383090574.db2.gz MHNQCLZCCKFWAC-CJNGLKHVSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCC1(C(=O)NCCN(C)C2CC2)CCCCC1 ZINC000448800517 383102066 /nfs/dbraw/zinc/10/20/66/383102066.db2.gz YIZADEWVCMALOH-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000448919617 383106677 /nfs/dbraw/zinc/10/66/77/383106677.db2.gz BVNXQEZMBOJZSN-WMLDXEAASA-N 0 3 278.440 2.969 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000246902681 383118895 /nfs/dbraw/zinc/11/88/95/383118895.db2.gz MJJMNYNRZHQNTK-OWCLPIDISA-N 0 3 293.455 2.895 20 30 CFEDHN CC1(C)COc2ccc(C(=O)C(C#N)c3ccncn3)cc21 ZINC000565393990 383178870 /nfs/dbraw/zinc/17/88/70/383178870.db2.gz VNRRATOTVNLGEB-GFCCVEGCSA-N 0 3 293.326 2.637 20 30 CFEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccc(C2CC2)cc1 ZINC000565763894 383180990 /nfs/dbraw/zinc/18/09/90/383180990.db2.gz NBDWJZCOKYSTAV-ZDUSSCGKSA-N 0 3 297.402 2.777 20 30 CFEDHN C=CCCCCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000565784928 383181652 /nfs/dbraw/zinc/18/16/52/383181652.db2.gz XJRTZEMGMAIVRK-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCOCCN1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000339203512 383183192 /nfs/dbraw/zinc/18/31/92/383183192.db2.gz YNAWYLOMWOEVJU-GDBMZVCRSA-N 0 3 295.810 2.550 20 30 CFEDHN CC1(C#N)CCC(NCC(=O)Nc2ccc(F)cc2)CC1 ZINC000449217590 383185014 /nfs/dbraw/zinc/18/50/14/383185014.db2.gz AEXXVBUMRFAZBG-UHFFFAOYSA-N 0 3 289.354 2.826 20 30 CFEDHN Cc1ncc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000339258388 383186655 /nfs/dbraw/zinc/18/66/55/383186655.db2.gz UFQFQBGWOHYITQ-AWEZNQCLSA-N 0 3 299.399 2.840 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000248141279 383213808 /nfs/dbraw/zinc/21/38/08/383213808.db2.gz UBMPGQNLSPLTFI-MRXNPFEDSA-N 0 3 280.375 2.538 20 30 CFEDHN CC[C@@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000518683938 383207266 /nfs/dbraw/zinc/20/72/66/383207266.db2.gz HUYNKBLPWGYFRT-DLBZAZTESA-N 0 3 288.391 2.795 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1CCCC[C@@H]1C ZINC000424603224 383208288 /nfs/dbraw/zinc/20/82/88/383208288.db2.gz ZUSYEVZKKJGVGN-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cnc(CNCCc2cccc(C#N)c2)s1 ZINC000449303718 383209547 /nfs/dbraw/zinc/20/95/47/383209547.db2.gz NAPSJPPJHPUXMB-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508895388 383147621 /nfs/dbraw/zinc/14/76/21/383147621.db2.gz HGUDMWBNRJYVHY-GOEBONIOSA-N 0 3 289.423 2.895 20 30 CFEDHN C=CCCCCN1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000556266782 383151007 /nfs/dbraw/zinc/15/10/07/383151007.db2.gz DRFVLCIKGZPKNZ-CABCVRRESA-N 0 3 253.386 2.613 20 30 CFEDHN CC(C)[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247201587 383152046 /nfs/dbraw/zinc/15/20/46/383152046.db2.gz TXQZDNNGQDKFMM-GDBMZVCRSA-N 0 3 279.428 2.551 20 30 CFEDHN Cc1cc(NC(=O)c2cc(C#N)cn2C)ccc1CN(C)C ZINC000458285900 383152680 /nfs/dbraw/zinc/15/26/80/383152680.db2.gz OKHFARLYSIVPNN-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN C=CCOCCN(Cc1ccccc1)C[C@](C)(O)CC ZINC000339113423 383153471 /nfs/dbraw/zinc/15/34/71/383153471.db2.gz FQTYRKZCSDEREY-QGZVFWFLSA-N 0 3 277.408 2.852 20 30 CFEDHN CC(C)(C)C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514940854 383156968 /nfs/dbraw/zinc/15/69/68/383156968.db2.gz ZYBRNGPDAJGOTC-ZDUSSCGKSA-N 0 3 297.406 2.859 20 30 CFEDHN CC1(C)CN(CCOCCC#N)CC[C@H]1C(F)(F)F ZINC000339127576 383159484 /nfs/dbraw/zinc/15/94/84/383159484.db2.gz KRUAEGHBGGXWTR-LLVKDONJSA-N 0 3 278.318 2.827 20 30 CFEDHN Cc1ccn(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000339138878 383162220 /nfs/dbraw/zinc/16/22/20/383162220.db2.gz ZWLATCWGLKJDPA-DZGCQCFKSA-N 0 3 258.369 2.521 20 30 CFEDHN CC1(C#N)CCC(NCc2nncn2-c2ccccc2)CC1 ZINC000449076275 383163078 /nfs/dbraw/zinc/16/30/78/383163078.db2.gz ONDJIOHIPRRRTM-UHFFFAOYSA-N 0 3 295.390 2.829 20 30 CFEDHN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@H](C)N1C ZINC000339623249 383265550 /nfs/dbraw/zinc/26/55/50/383265550.db2.gz UJBOLWGISTUATK-RYUDHWBXSA-N 0 3 277.799 2.736 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000424648194 383220584 /nfs/dbraw/zinc/22/05/84/383220584.db2.gz LLHWIXWECBKYLN-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN N#Cc1csc(CNC[C@H]2C[C@H]2c2ccccc2)n1 ZINC000339509296 383224317 /nfs/dbraw/zinc/22/43/17/383224317.db2.gz JGQRVFUPZKBDLM-OCCSQVGLSA-N 0 3 269.373 2.908 20 30 CFEDHN COC[C@H](C#N)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000248374560 383230867 /nfs/dbraw/zinc/23/08/67/383230867.db2.gz RMMSVSAXHLPSIH-ZFWWWQNUSA-N 0 3 287.407 2.997 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@H]1C ZINC000248372009 383231405 /nfs/dbraw/zinc/23/14/05/383231405.db2.gz ZJHVHDWBYQCSDP-MCIONIFRSA-N 0 3 252.402 2.530 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000566980874 383231525 /nfs/dbraw/zinc/23/15/25/383231525.db2.gz BZVCAYHPVTZREV-BBRMVZONSA-N 0 3 272.392 2.592 20 30 CFEDHN CN(CCSc1ccnc(C#N)n1)Cc1ccccc1 ZINC000519768439 383233993 /nfs/dbraw/zinc/23/39/93/383233993.db2.gz HXKVAQDWPBZTGS-UHFFFAOYSA-N 0 3 284.388 2.572 20 30 CFEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000567121482 383244787 /nfs/dbraw/zinc/24/47/87/383244787.db2.gz IEKKWWRCPLSLDH-UHFFFAOYSA-N 0 3 279.428 2.792 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000425125466 383327192 /nfs/dbraw/zinc/32/71/92/383327192.db2.gz GLTYNQZAIMWPKR-SOUVJXGZSA-N 0 3 299.418 2.950 20 30 CFEDHN CCO[C@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1C ZINC000449490709 383328412 /nfs/dbraw/zinc/32/84/12/383328412.db2.gz CLTAKDJNJZDNLH-CJNGLKHVSA-N 0 3 258.365 2.805 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000249136544 383330773 /nfs/dbraw/zinc/33/07/73/383330773.db2.gz OLCPZXWYKOBISL-HZPDHXFCSA-N 0 3 288.416 2.573 20 30 CFEDHN CC1(C)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989746 383340722 /nfs/dbraw/zinc/34/07/22/383340722.db2.gz OZLYDRSIDHYNHA-UHFFFAOYSA-N 0 3 259.309 2.841 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339676484 383284042 /nfs/dbraw/zinc/28/40/42/383284042.db2.gz UMUFALCCUTVGCA-UNEWFSDZSA-N 0 3 291.439 2.551 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)o1 ZINC000449451446 383301242 /nfs/dbraw/zinc/30/12/42/383301242.db2.gz IVJMWCGNNBXQCM-OAGGEKHMSA-N 0 3 274.364 2.667 20 30 CFEDHN C=C(C)COc1cccc(NC[C@H](O)CN(C)C2CC2)c1 ZINC000567701450 383305030 /nfs/dbraw/zinc/30/50/30/383305030.db2.gz CKFXUXBXDGARCH-INIZCTEOSA-N 0 3 290.407 2.509 20 30 CFEDHN CC(C)[C@H](CO)[C@@H](NCc1ccc(C#N)o1)C(C)C ZINC000449512218 383347810 /nfs/dbraw/zinc/34/78/10/383347810.db2.gz OWUPGRMZKPQDTR-GJZGRUSLSA-N 0 3 264.369 2.530 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000248973278 383312809 /nfs/dbraw/zinc/31/28/09/383312809.db2.gz DBYXNQLZFQDQCP-DVOMOZLQSA-N 0 3 286.375 2.750 20 30 CFEDHN COc1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1C#N ZINC000567799133 383317733 /nfs/dbraw/zinc/31/77/33/383317733.db2.gz BUYRQPVQXHVSOT-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN N#CC(C(=O)c1cccc(C2CC2)c1)c1ccncn1 ZINC000568412528 383401077 /nfs/dbraw/zinc/40/10/77/383401077.db2.gz XLDGKMQLFWPWEF-CQSZACIVSA-N 0 3 263.300 2.844 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1 ZINC000426494534 383402423 /nfs/dbraw/zinc/40/24/23/383402423.db2.gz BXBLFQAGLUWDGN-QGZVFWFLSA-N 0 3 273.376 2.598 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000249705120 383356715 /nfs/dbraw/zinc/35/67/15/383356715.db2.gz AFLPITKPRSHWPG-ZNMIVQPWSA-N 0 3 279.428 2.505 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449664307 383360232 /nfs/dbraw/zinc/36/02/32/383360232.db2.gz BGIVNSVBOMTEIK-QWRGUYRKSA-N 0 3 278.318 2.561 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000449694413 383360789 /nfs/dbraw/zinc/36/07/89/383360789.db2.gz BLULBQZBAPIVMO-ZDUSSCGKSA-N 0 3 298.308 2.994 20 30 CFEDHN C=C(CC)CNCc1ccc(COCCOC)cc1 ZINC000449735118 383363574 /nfs/dbraw/zinc/36/35/74/383363574.db2.gz PIWSZQMIWTYGGH-UHFFFAOYSA-N 0 3 263.381 2.905 20 30 CFEDHN COc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)cc1C#N ZINC000340198729 383379689 /nfs/dbraw/zinc/37/96/89/383379689.db2.gz QVSSQROWUQAEFU-ZBFHGGJFSA-N 0 3 286.375 2.568 20 30 CFEDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccccc2C#N)C1 ZINC000340205941 383382034 /nfs/dbraw/zinc/38/20/34/383382034.db2.gz ISKBJTUZQGYAIF-XJKSGUPXSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccco2)s1 ZINC000487571600 383481147 /nfs/dbraw/zinc/48/11/47/383481147.db2.gz ISSCXRXVANDUHQ-LLVKDONJSA-N 0 3 278.377 2.677 20 30 CFEDHN CC(C#N)C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC000482851813 383438382 /nfs/dbraw/zinc/43/83/82/383438382.db2.gz CZSILOGSZBHPDF-ZDUSSCGKSA-N 0 3 288.391 2.981 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000526941791 383438981 /nfs/dbraw/zinc/43/89/81/383438981.db2.gz QKKNCPFCCBEASN-GDBMZVCRSA-N 0 3 294.402 2.917 20 30 CFEDHN CC(C#N)C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC000482851812 383439072 /nfs/dbraw/zinc/43/90/72/383439072.db2.gz CZSILOGSZBHPDF-CYBMUJFWSA-N 0 3 288.391 2.981 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CCC(C)(C)C1 ZINC000483111901 383441021 /nfs/dbraw/zinc/44/10/21/383441021.db2.gz FWRBVKWPOVXJON-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1cc(NC[C@@H]2CCN2C2CCCCC2)c(C#N)cn1 ZINC000528117207 383474496 /nfs/dbraw/zinc/47/44/96/383474496.db2.gz LAPDSEGUVXXFAJ-INIZCTEOSA-N 0 3 284.407 2.503 20 30 CFEDHN C[C@@H]1CC[C@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000429569008 383548845 /nfs/dbraw/zinc/54/88/45/383548845.db2.gz RLCBNGZYHVWDOB-CABCVRRESA-N 0 3 291.439 2.792 20 30 CFEDHN CC1(C)CC(CN2CCN(c3ncccc3C#N)CC2)C1 ZINC000528343439 383497020 /nfs/dbraw/zinc/49/70/20/383497020.db2.gz XCVDIKSQOQIDHQ-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000428633189 383497463 /nfs/dbraw/zinc/49/74/63/383497463.db2.gz VEQAHAYGCXHMBB-ZBFHGGJFSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CCN1C ZINC000488205131 383505893 /nfs/dbraw/zinc/50/58/93/383505893.db2.gz UDMQISSEGPZKRM-YOEHRIQHSA-N 0 3 271.408 2.891 20 30 CFEDHN Cc1cc(CN(C)CCOCC2CC2)ccc1C#N ZINC000488234335 383507482 /nfs/dbraw/zinc/50/74/82/383507482.db2.gz SHAKBQVAHSBVSS-UHFFFAOYSA-N 0 3 258.365 2.725 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CSC)C1 ZINC000429279254 383508838 /nfs/dbraw/zinc/50/88/38/383508838.db2.gz ZXYQJPYIEKPPGF-CABCVRRESA-N 0 3 298.496 2.875 20 30 CFEDHN Cc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)ccc1C#N ZINC000488259518 383510015 /nfs/dbraw/zinc/51/00/15/383510015.db2.gz DUWYDOFZPHYHJK-SJORKVTESA-N 0 3 270.376 2.914 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(C#N)cc1 ZINC000341064624 383550945 /nfs/dbraw/zinc/55/09/45/383550945.db2.gz SHSVTPWNLLCEQE-ZIAGYGMSSA-N 0 3 285.391 2.551 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429300005 383515791 /nfs/dbraw/zinc/51/57/91/383515791.db2.gz HDDCBJYQWVZBNA-OAHLLOKOSA-N 0 3 294.354 2.529 20 30 CFEDHN C[C@H]1C[C@@H](O)CCN1Cc1cccc(OCCCC#N)c1 ZINC000430140380 383589368 /nfs/dbraw/zinc/58/93/68/383589368.db2.gz OFVHLZXRTXBHPH-HOCLYGCPSA-N 0 3 288.391 2.714 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@H]1C ZINC000488992722 383589739 /nfs/dbraw/zinc/58/97/39/383589739.db2.gz LJMQLSQUEVGMII-WBMJQRKESA-N 0 3 258.365 2.724 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@@H]1C ZINC000488992720 383589836 /nfs/dbraw/zinc/58/98/36/383589836.db2.gz LJMQLSQUEVGMII-LRDDRELGSA-N 0 3 258.365 2.724 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(C#N)c(C)c2)CC[C@@H]1C ZINC000488992719 383590109 /nfs/dbraw/zinc/59/01/09/383590109.db2.gz LJMQLSQUEVGMII-BLLLJJGKSA-N 0 3 258.365 2.724 20 30 CFEDHN COc1ccc2c(c1)[C@H](NCC1(CC#N)CC1)CC2 ZINC000430754160 383599923 /nfs/dbraw/zinc/59/99/23/383599923.db2.gz LQZVTQILCKCGOM-OAHLLOKOSA-N 0 3 256.349 2.966 20 30 CFEDHN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1ccccn1 ZINC000429682922 383557347 /nfs/dbraw/zinc/55/73/47/383557347.db2.gz HPTNXOZFPPCCIZ-SECBINFHSA-N 0 3 279.221 2.919 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H]2NCCc3ccccc32)n1 ZINC000261777722 383558477 /nfs/dbraw/zinc/55/84/77/383558477.db2.gz WPYNRULGENAUDR-INIZCTEOSA-N 0 3 278.359 2.561 20 30 CFEDHN CCN(CCN(C)Cc1ccccc1)C[C@H](C)C#N ZINC000429691204 383559504 /nfs/dbraw/zinc/55/95/04/383559504.db2.gz VPPZPWDADUTOIL-OAHLLOKOSA-N 0 3 259.397 2.600 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(F)c(F)c1 ZINC000429701350 383560780 /nfs/dbraw/zinc/56/07/80/383560780.db2.gz KOJZIUDCOKKNST-UHFFFAOYSA-N 0 3 268.351 2.905 20 30 CFEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2[N+](=O)[O-])CCC1 ZINC000570048419 383565754 /nfs/dbraw/zinc/56/57/54/383565754.db2.gz UCXCOVHDYCQPTK-LLVKDONJSA-N 0 3 289.335 2.514 20 30 CFEDHN C[C@H]1CC[C@@H](N(CC#Cc2ccc(F)cc2)CCO)C1 ZINC000429771683 383567659 /nfs/dbraw/zinc/56/76/59/383567659.db2.gz NCILNVOSIDWXCP-WMLDXEAASA-N 0 3 275.367 2.660 20 30 CFEDHN C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)CC12CCC2 ZINC000570843943 383641923 /nfs/dbraw/zinc/64/19/23/383641923.db2.gz WHBNTKISZLGWJX-CYBMUJFWSA-N 0 3 295.390 2.613 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@@H]2CCO[C@H]21 ZINC000451464723 383620581 /nfs/dbraw/zinc/62/05/81/383620581.db2.gz FXULCNFBIMIZOF-NILFDRSVSA-N 0 3 274.339 2.600 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528741101 383621133 /nfs/dbraw/zinc/62/11/33/383621133.db2.gz FZALDUSXJQXOOS-HNNXBMFYSA-N 0 3 290.382 2.696 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(F)cc2C#N)[C@H]2CCCO[C@H]21 ZINC000451481439 383624998 /nfs/dbraw/zinc/62/49/98/383624998.db2.gz UCYSIKUUOMZKRD-BZUAXINKSA-N 0 3 288.366 2.991 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451490285 383626774 /nfs/dbraw/zinc/62/67/74/383626774.db2.gz ADGDMLZYKLUHMT-HFBAOOFYSA-N 0 3 288.391 2.716 20 30 CFEDHN C=CCCOCc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000680772524 542363219 /nfs/dbraw/zinc/36/32/19/542363219.db2.gz YYJDOFDOTRFMQI-YHWZYXNKSA-N 0 3 277.368 2.503 20 30 CFEDHN N#CCC1(CNCc2cccc(-n3cccn3)c2)CC1 ZINC000570777498 383634246 /nfs/dbraw/zinc/63/42/46/383634246.db2.gz ABYVWCGTFMFQCB-UHFFFAOYSA-N 0 3 266.348 2.656 20 30 CFEDHN CCN(CC)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433023048 383753002 /nfs/dbraw/zinc/75/30/02/383753002.db2.gz NAFBFJRUXAOGSI-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN N#CCCC[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000433021988 383753017 /nfs/dbraw/zinc/75/30/17/383753017.db2.gz SOIUDGIEQCKNTF-QWHCGFSZSA-N 0 3 286.297 2.934 20 30 CFEDHN CN(Cc1ccc(OCC#N)cc1)C[C@@H]1CCCCO1 ZINC000264545692 383753400 /nfs/dbraw/zinc/75/34/00/383753400.db2.gz JKVSDRVFQWZRRC-INIZCTEOSA-N 0 3 274.364 2.590 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433047271 383753993 /nfs/dbraw/zinc/75/39/93/383753993.db2.gz WQKWJTUYGCGHQN-PBHICJAKSA-N 0 3 286.419 2.729 20 30 CFEDHN CC(C)OCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433122161 383754960 /nfs/dbraw/zinc/75/49/60/383754960.db2.gz PSANODSFDPLFCY-INIZCTEOSA-N 0 3 288.391 2.690 20 30 CFEDHN CC(C)[C@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000529802257 383755407 /nfs/dbraw/zinc/75/54/07/383755407.db2.gz GALWMBCDPYGQKI-NVXWUHKLSA-N 0 3 299.418 2.515 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN(C)CC(C)(C)C#N ZINC000433308900 383759338 /nfs/dbraw/zinc/75/93/38/383759338.db2.gz VYUWPRGOZJHQIN-UHFFFAOYSA-N 0 3 268.401 2.837 20 30 CFEDHN CN(Cc1ccccn1)C(=O)C(C#N)CCc1ccccc1 ZINC000433312059 383760478 /nfs/dbraw/zinc/76/04/78/383760478.db2.gz PGPOLBRTUHRJJV-INIZCTEOSA-N 0 3 293.370 2.813 20 30 CFEDHN CN(C(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000433380288 383761788 /nfs/dbraw/zinc/76/17/88/383761788.db2.gz AKOMSTWZTRBCLZ-AWEZNQCLSA-N 0 3 256.349 2.770 20 30 CFEDHN CC1(C)CCC[C@@H]1CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000530126047 383766984 /nfs/dbraw/zinc/76/69/84/383766984.db2.gz OASUWMRWGHOAQB-CVEARBPZSA-N 0 3 299.418 2.891 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N1CCCC1 ZINC000530421092 383770796 /nfs/dbraw/zinc/77/07/96/383770796.db2.gz NKVZLIGLBGLAKC-AWEZNQCLSA-N 0 3 299.418 2.702 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000572363861 383776070 /nfs/dbraw/zinc/77/60/70/383776070.db2.gz JQBDUXRPFPOZIJ-QWHCGFSZSA-N 0 3 283.379 2.611 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)nc1 ZINC000572374807 383778551 /nfs/dbraw/zinc/77/85/51/383778551.db2.gz ATMMSTDICZKDRG-SJORKVTESA-N 0 3 297.402 2.734 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccccc1C#N ZINC000264998014 383814385 /nfs/dbraw/zinc/81/43/85/383814385.db2.gz DJFYLHKTVDPFFJ-HZPDHXFCSA-N 0 3 258.365 2.684 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1nnc(C)c(C)c1C#N ZINC000265027667 383818463 /nfs/dbraw/zinc/81/84/63/383818463.db2.gz ZKJMHKRYQFWPTB-CQSZACIVSA-N 0 3 287.411 2.642 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000453338698 383843964 /nfs/dbraw/zinc/84/39/64/383843964.db2.gz CJXOXACUFJKPGT-YPMHNXCESA-N 0 3 262.328 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453337963 383843992 /nfs/dbraw/zinc/84/39/92/383843992.db2.gz ARKJIUYFDYAFPV-KMUNFCNLSA-N 0 3 260.312 2.691 20 30 CFEDHN CC1(C)C[C@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000453576647 383856853 /nfs/dbraw/zinc/85/68/53/383856853.db2.gz GFDTUYWYGCQHGD-CYBMUJFWSA-N 0 3 276.355 2.992 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000573035760 383861560 /nfs/dbraw/zinc/86/15/60/383861560.db2.gz PYGONPMCXIEUQX-GOEBONIOSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@H](N[C@H](CO)CC1CCC1)c1ccc(C#N)c(F)c1 ZINC000280993076 195060996 /nfs/dbraw/zinc/06/09/96/195060996.db2.gz MXFLKZXBUDVQAY-NHYWBVRUSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC[C@H]1CCCO1 ZINC000573114256 383873420 /nfs/dbraw/zinc/87/34/20/383873420.db2.gz MGKYDRLPCPULIZ-WMLDXEAASA-N 0 3 288.391 2.747 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@@H](CC)N(CC)CC)c1 ZINC000265482260 383929390 /nfs/dbraw/zinc/92/93/90/383929390.db2.gz VKXKJDNELOZZQY-OAHLLOKOSA-N 0 3 258.365 2.727 20 30 CFEDHN CC1(C)CCC[C@](O)(CNCc2ccc(C#N)o2)C1 ZINC000438366477 383995334 /nfs/dbraw/zinc/99/53/34/383995334.db2.gz WMLIRSOIIWRNBU-OAHLLOKOSA-N 0 3 262.353 2.572 20 30 CFEDHN C=C(Cl)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265518959 383936590 /nfs/dbraw/zinc/93/65/90/383936590.db2.gz LTCSMUBGWJZKPS-UHFFFAOYSA-N 0 3 292.810 2.767 20 30 CFEDHN C=CCN(C(=O)NC[C@@H]1CCN1C1CCCCC1)C1CC1 ZINC000637369680 384047156 /nfs/dbraw/zinc/04/71/56/384047156.db2.gz AUMZCSSUPPQFAK-INIZCTEOSA-N 0 3 291.439 2.753 20 30 CFEDHN CC1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000266009511 384051932 /nfs/dbraw/zinc/05/19/32/384051932.db2.gz LRQSNIMOFZLMQJ-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C#CCCCC(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000192024503 533025223 /nfs/dbraw/zinc/02/52/23/533025223.db2.gz NTAFAUDAAVVMQP-UHFFFAOYSA-N 0 3 299.418 2.935 20 30 CFEDHN C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000266028536 384058889 /nfs/dbraw/zinc/05/88/89/384058889.db2.gz YVJHRCFJRNCTMO-OMAIJTBJSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCSC2)cc1OC ZINC000266150660 384096363 /nfs/dbraw/zinc/09/63/63/384096363.db2.gz KDKGLNYABQZAHW-ZDUSSCGKSA-N 0 3 279.405 2.855 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000646927283 384097050 /nfs/dbraw/zinc/09/70/50/384097050.db2.gz HQMRYHPBJVITCI-IXDOHACOSA-N 0 3 284.403 2.509 20 30 CFEDHN COc1ccc(CNCc2cccc(N(C)C)c2)cc1C#N ZINC000266209857 384116354 /nfs/dbraw/zinc/11/63/54/384116354.db2.gz NZLOYMIQQZSVCA-UHFFFAOYSA-N 0 3 295.386 2.923 20 30 CFEDHN N#Cc1ccc(Cl)cc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266229722 384123923 /nfs/dbraw/zinc/12/39/23/384123923.db2.gz JIBWFHPJEWSYJU-CQSZACIVSA-N 0 3 273.767 2.662 20 30 CFEDHN CC[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000574876270 384156944 /nfs/dbraw/zinc/15/69/44/384156944.db2.gz ASBXUDVKPAISNX-JKSUJKDBSA-N 0 3 299.418 2.998 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](CC)c1ccc(Cl)cc1 ZINC000266446096 384176637 /nfs/dbraw/zinc/17/66/37/384176637.db2.gz IITUSYIKLCCUQJ-AWEZNQCLSA-N 0 3 278.783 2.520 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(C3CC3)ncn2)CC1 ZINC000641358360 384176861 /nfs/dbraw/zinc/17/68/61/384176861.db2.gz HVKYHOGDLXHLNM-UHFFFAOYSA-N 0 3 272.396 2.806 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1ccc(Cl)cc1F ZINC000266930423 384263480 /nfs/dbraw/zinc/26/34/80/384263480.db2.gz OKLFNSSMOFWVEG-UHFFFAOYSA-N 0 3 282.746 2.763 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000267166295 384313048 /nfs/dbraw/zinc/31/30/48/384313048.db2.gz GXIVGENYCGADNZ-STQMWFEESA-N 0 3 250.367 2.667 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc2ccccc21 ZINC000641768687 384335337 /nfs/dbraw/zinc/33/53/37/384335337.db2.gz FZRNTKKEELYLDQ-MRXNPFEDSA-N 0 3 253.345 2.704 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(-n2ccnc2)nc1 ZINC000267327042 384357953 /nfs/dbraw/zinc/35/79/53/384357953.db2.gz BFNSWKPIICXKKJ-UHFFFAOYSA-N 0 3 256.353 2.665 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cccc(F)c1OC(F)F ZINC000641759759 384325881 /nfs/dbraw/zinc/32/58/81/384325881.db2.gz IRIYJQPGLHSGRG-NSHDSACASA-N 0 3 289.297 2.844 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(Cl)c(C)c1 ZINC000641766782 384331451 /nfs/dbraw/zinc/33/14/51/384331451.db2.gz BRSRZLQXMJKSJY-CYBMUJFWSA-N 0 3 251.757 2.512 20 30 CFEDHN CC#CC[C@@H](CO)NC/C(C)=C\c1ccccc1COC ZINC000641766704 384331935 /nfs/dbraw/zinc/33/19/35/384331935.db2.gz APPPFHITGCPJQV-RXBGNRNISA-N 0 3 287.403 2.600 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccccc1CC(F)(F)F ZINC000641767757 384333312 /nfs/dbraw/zinc/33/33/12/384333312.db2.gz QIPQSHBIUVZKBE-CQSZACIVSA-N 0 3 285.309 2.655 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc(Cl)cc2cccnc21 ZINC000641767988 384333883 /nfs/dbraw/zinc/33/38/83/384333883.db2.gz SVQNHMUZOZUIJE-HNNXBMFYSA-N 0 3 288.778 2.752 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000641768328 384334719 /nfs/dbraw/zinc/33/47/19/384334719.db2.gz ZLZJOLYUROFECJ-HNNXBMFYSA-N 0 3 271.360 2.914 20 30 CFEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000277738137 384391553 /nfs/dbraw/zinc/39/15/53/384391553.db2.gz ZZWMZDHMFIUUEO-INIZCTEOSA-N 0 3 298.390 2.697 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccccc1C#N ZINC000277874033 384429829 /nfs/dbraw/zinc/42/98/29/384429829.db2.gz UWPFQOBRHHSJPN-INIZCTEOSA-N 0 3 258.365 2.685 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccccc3C)C2)C1=O ZINC000281138810 195119650 /nfs/dbraw/zinc/11/96/50/195119650.db2.gz ALWBRBGHCSOWKW-NVXWUHKLSA-N 0 3 284.403 2.571 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3C)C2)C1=O ZINC000281138814 195120605 /nfs/dbraw/zinc/12/06/05/195120605.db2.gz ALWBRBGHCSOWKW-WBVHZDCISA-N 0 3 284.403 2.571 20 30 CFEDHN C#C[C@@H](C)NCC1=Cc2cc(Br)ccc2OC1 ZINC000289317688 197294478 /nfs/dbraw/zinc/29/44/78/197294478.db2.gz FLCHIVLCZHDUPD-SNVBAGLBSA-N 0 3 292.176 2.836 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](C)NCC)CCCC1 ZINC000638404841 384626303 /nfs/dbraw/zinc/62/63/03/384626303.db2.gz NRADLOQUJBMCQY-CYBMUJFWSA-N 0 3 252.402 2.627 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)cc(CC)n2)CC1 ZINC000680956750 542389172 /nfs/dbraw/zinc/38/91/72/542389172.db2.gz CAYMSRQADDVJAB-UHFFFAOYSA-N 0 3 274.412 2.800 20 30 CFEDHN CCCN(CC#CCOC)CCc1cccs1 ZINC000680987682 542394870 /nfs/dbraw/zinc/39/48/70/542394870.db2.gz RXBCMJLXWYAAFQ-UHFFFAOYSA-N 0 3 251.395 2.652 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000638472740 384684281 /nfs/dbraw/zinc/68/42/81/384684281.db2.gz VZOZJEGCHIJPSJ-UKRRQHHQSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@](C)(O)CC2)c1 ZINC000279759510 384749373 /nfs/dbraw/zinc/74/93/73/384749373.db2.gz ZRCVIKKOFRXFKS-QGZVFWFLSA-N 0 3 275.392 2.988 20 30 CFEDHN C=CCn1cc(CNCC(C)(C)c2ccccc2)nn1 ZINC000643794497 384763818 /nfs/dbraw/zinc/76/38/18/384763818.db2.gz UEZTVOYTHXVQLE-UHFFFAOYSA-N 0 3 270.380 2.532 20 30 CFEDHN COc1ccc(CN(C)CCCOC(C)C)cc1C#N ZINC000269686844 384837228 /nfs/dbraw/zinc/83/72/28/384837228.db2.gz GQZXCHKMJTYEIS-UHFFFAOYSA-N 0 3 276.380 2.814 20 30 CFEDHN C[C@@]1(O)CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000279948627 384824160 /nfs/dbraw/zinc/82/41/60/384824160.db2.gz GPMPHTBDCYWAFD-MRXNPFEDSA-N 0 3 277.795 2.928 20 30 CFEDHN COc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1C#N ZINC000269719255 384849296 /nfs/dbraw/zinc/84/92/96/384849296.db2.gz SVZJWTMSHTWWEQ-AWEZNQCLSA-N 0 3 296.374 2.670 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@](C)(O)CC1 ZINC000280166075 384910602 /nfs/dbraw/zinc/91/06/02/384910602.db2.gz SGVZIVBLBGYGTP-CJNGLKHVSA-N 0 3 258.365 2.856 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc2ccc(F)c(F)c2n1 ZINC000638828319 384959855 /nfs/dbraw/zinc/95/98/55/384959855.db2.gz BVCQIOLCYSWTOU-NSHDSACASA-N 0 3 292.329 2.787 20 30 CFEDHN C#CC[C@@H](NC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000270154284 384995309 /nfs/dbraw/zinc/99/53/09/384995309.db2.gz WHMZGZPWJADKJZ-QGZVFWFLSA-N 0 3 299.418 2.536 20 30 CFEDHN C#CC[C@@H](NC(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000270461582 385111702 /nfs/dbraw/zinc/11/17/02/385111702.db2.gz UENCNZRZJSLEFY-QGZVFWFLSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000280756967 385141541 /nfs/dbraw/zinc/14/15/41/385141541.db2.gz YHYBAUYKFAATHG-INIZCTEOSA-N 0 3 297.402 2.876 20 30 CFEDHN CN(Cc1ccc(OCC#N)cc1)[C@H]1CCSC1 ZINC000270493194 385123221 /nfs/dbraw/zinc/12/32/21/385123221.db2.gz GRIDBOTWQRWWEL-ZDUSSCGKSA-N 0 3 262.378 2.526 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000280623162 385087559 /nfs/dbraw/zinc/08/75/59/385087559.db2.gz LFHIBMLKDQUMHL-DYVFJYSZSA-N 0 3 291.391 2.862 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000280660720 385103232 /nfs/dbraw/zinc/10/32/32/385103232.db2.gz PAHFWGOZZNHYPV-YPMHNXCESA-N 0 3 282.365 2.727 20 30 CFEDHN C#CCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000270687648 385189430 /nfs/dbraw/zinc/18/94/30/385189430.db2.gz ZSJQMIQFHGVZKP-UHFFFAOYSA-N 0 3 277.314 2.883 20 30 CFEDHN C=CCOCCN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000645113780 385196037 /nfs/dbraw/zinc/19/60/37/385196037.db2.gz QNFSQOSCRLSMQT-WDEREUQCSA-N 0 3 251.292 2.852 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000289156059 197248667 /nfs/dbraw/zinc/24/86/67/197248667.db2.gz QPQMZYHPYMXUMS-INIZCTEOSA-N 0 3 281.359 2.739 20 30 CFEDHN CC(C)(C)[C@H]1C[C@@H](NCc2ccc(C#N)o2)CCO1 ZINC000270650502 385176813 /nfs/dbraw/zinc/17/68/13/385176813.db2.gz LTGDKNZVYLRHIS-SMDDNHRTSA-N 0 3 262.353 2.835 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000270769584 385220590 /nfs/dbraw/zinc/22/05/90/385220590.db2.gz HJAVAAPLVSCEHS-MSOLQXFVSA-N 0 3 278.355 2.648 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000334694037 533109005 /nfs/dbraw/zinc/10/90/05/533109005.db2.gz HTPPMJKFMXHGOS-QMMMGPOBSA-N 0 3 299.143 2.706 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)[C@@H]2C)C1=O ZINC000282138838 385223157 /nfs/dbraw/zinc/22/31/57/385223157.db2.gz ZIWBHOGGSFFYOD-UAGQMJEPSA-N 0 3 284.403 2.651 20 30 CFEDHN C#CCCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000270875267 385254503 /nfs/dbraw/zinc/25/45/03/385254503.db2.gz AIYKMGPEBMJNKS-HNNXBMFYSA-N 0 3 290.794 2.791 20 30 CFEDHN C=CCc1cc(CN(CC)CCOC)cc(OC)c1O ZINC000271031961 385310135 /nfs/dbraw/zinc/31/01/35/385310135.db2.gz CXUCGLKLFNLVOR-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN CCC(CC)(CCO)NCC#Cc1ccc(F)cc1 ZINC000282359069 385292979 /nfs/dbraw/zinc/29/29/79/385292979.db2.gz DCQHSGYEHKLJQP-UHFFFAOYSA-N 0 3 263.356 2.708 20 30 CFEDHN CCC(CC)(CCO)NCc1cc(C#N)ccc1F ZINC000282521479 385333181 /nfs/dbraw/zinc/33/31/81/385333181.db2.gz TZNXKOGOVDLATH-UHFFFAOYSA-N 0 3 264.344 2.728 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000347101165 533115525 /nfs/dbraw/zinc/11/55/25/533115525.db2.gz GQFZONKGQMYFOF-UWVGGRQHSA-N 0 3 286.360 2.542 20 30 CFEDHN C=C(C)COc1cc(CN2CC[C@H](OC)C2)ccc1OC ZINC000271198532 385373318 /nfs/dbraw/zinc/37/33/18/385373318.db2.gz SBLYBWJUBZJGPP-HNNXBMFYSA-N 0 3 291.391 2.871 20 30 CFEDHN C#CCCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000271068388 385327905 /nfs/dbraw/zinc/32/79/05/385327905.db2.gz VBLWROIFRZEBIT-UGSOOPFHSA-N 0 3 263.406 2.830 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@H](C)c2cccc(C#N)c2)o1 ZINC000271913502 385398861 /nfs/dbraw/zinc/39/88/61/385398861.db2.gz YJKFFTCVYAVUAV-DOMZBBRYSA-N 0 3 270.332 2.844 20 30 CFEDHN C=CCn1cc(CNC[C@H](C)C2CCCCC2)nn1 ZINC000639273799 385402572 /nfs/dbraw/zinc/40/25/72/385402572.db2.gz FSKVWWGEEIXXFZ-ZDUSSCGKSA-N 0 3 262.401 2.770 20 30 CFEDHN C[C@@H](NCCOCC1CC1)c1ccc(C#N)c(F)c1 ZINC000271930033 385404939 /nfs/dbraw/zinc/40/49/39/385404939.db2.gz HWSFRDPHSFTAJG-LLVKDONJSA-N 0 3 262.328 2.775 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000347069047 533116800 /nfs/dbraw/zinc/11/68/00/533116800.db2.gz MTMPCOYBNSQHQZ-SMDDNHRTSA-N 0 3 254.289 2.645 20 30 CFEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc(C#N)s1 ZINC000272367564 385521134 /nfs/dbraw/zinc/52/11/34/385521134.db2.gz ATUMYTLCIIIHPH-UKRRQHHQSA-N 0 3 292.404 2.831 20 30 CFEDHN C=CCC[C@@H](NC[C@@]1(O)CCSC1)c1ccco1 ZINC000286339380 385594018 /nfs/dbraw/zinc/59/40/18/385594018.db2.gz YFUCFWOEOYIKQW-OCCSQVGLSA-N 0 3 267.394 2.745 20 30 CFEDHN C#CCN(Cc1ccccc1)C(=O)C1CCN(C2CC2)CC1 ZINC000286390638 385606068 /nfs/dbraw/zinc/60/60/68/385606068.db2.gz MNLDTYWTWXSUKO-UHFFFAOYSA-N 0 3 296.414 2.523 20 30 CFEDHN CN1CC[C@@H](Nc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000286583266 385657037 /nfs/dbraw/zinc/65/70/37/385657037.db2.gz STFMLWWCFSKEKJ-SJORKVTESA-N 0 3 278.359 2.811 20 30 CFEDHN C=CCN1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000639754974 385697527 /nfs/dbraw/zinc/69/75/27/385697527.db2.gz AVEWHRLMAXLBBZ-UHFFFAOYSA-N 0 3 268.364 2.837 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccccc2F)CC1 ZINC000639981200 385801902 /nfs/dbraw/zinc/80/19/02/385801902.db2.gz VSMRQSDIIAEYPA-HNNXBMFYSA-N 0 3 279.355 2.606 20 30 CFEDHN CN(CCN(C)C1CC1)c1c(C#N)cnc2ccccc21 ZINC000274454491 385802033 /nfs/dbraw/zinc/80/20/33/385802033.db2.gz JGDXJWMOMYXQMW-UHFFFAOYSA-N 0 3 280.375 2.637 20 30 CFEDHN C=C1CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287245969 385811104 /nfs/dbraw/zinc/81/11/04/385811104.db2.gz KCBULYLIHXYRBX-OAHLLOKOSA-N 0 3 265.784 2.895 20 30 CFEDHN CCN1CCCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000274765602 385866764 /nfs/dbraw/zinc/86/67/64/385866764.db2.gz GAVJAHZHEIOMPI-UHFFFAOYSA-N 0 3 277.799 2.739 20 30 CFEDHN C=C(C)CCN1CCN(Cc2csc(CC)n2)CC1 ZINC000274769013 385867543 /nfs/dbraw/zinc/86/75/43/385867543.db2.gz GWZIPLBWEJXQIV-UHFFFAOYSA-N 0 3 279.453 2.789 20 30 CFEDHN C#CCCCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000275152879 385945153 /nfs/dbraw/zinc/94/51/53/385945153.db2.gz HAGGDEMFVMYRSP-ZDUSSCGKSA-N 0 3 288.420 2.527 20 30 CFEDHN C=CCC[C@@H](C(=O)NC[C@@H](C)N(C)C)c1ccccc1 ZINC000275193861 385954886 /nfs/dbraw/zinc/95/48/86/385954886.db2.gz ZECKIIUUNADUKH-GDBMZVCRSA-N 0 3 274.408 2.803 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000275260266 385967203 /nfs/dbraw/zinc/96/72/03/385967203.db2.gz RWIKYCKRLIOQQS-CABCVRRESA-N 0 3 262.328 2.745 20 30 CFEDHN Cn1cc(CN2CCC(c3ccc(O)cc3)CC2)cc1C#N ZINC000276823642 386052623 /nfs/dbraw/zinc/05/26/23/386052623.db2.gz ZYZHPWKWZVKSAZ-UHFFFAOYSA-N 0 3 295.386 2.982 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000277016285 386108008 /nfs/dbraw/zinc/10/80/08/386108008.db2.gz QIAJVAXYUFDIPY-CABCVRRESA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)CC#Cc2ccccc2)C1 ZINC000277049160 386116928 /nfs/dbraw/zinc/11/69/28/386116928.db2.gz USJMHDBQSXPQRD-WBVHZDCISA-N 0 3 257.377 2.521 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000276900776 386073774 /nfs/dbraw/zinc/07/37/74/386073774.db2.gz HSNODKMHVTZUDM-LBPRGKRZSA-N 0 3 279.343 2.778 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(C)c2C)C1=O ZINC000281380063 195217965 /nfs/dbraw/zinc/21/79/65/195217965.db2.gz YVDMKVARNVDSDF-GOEBONIOSA-N 0 3 272.392 2.741 20 30 CFEDHN C=CC[C@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000186690522 260004904 /nfs/dbraw/zinc/00/49/04/260004904.db2.gz IHNDWUPPWMWDKF-BXUZGUMPSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917192 262258063 /nfs/dbraw/zinc/25/80/63/262258063.db2.gz LNCCAUFBSPFRQE-UHFFFAOYSA-N 0 3 262.328 2.662 20 30 CFEDHN COc1cc(CNc2cccc(N(C)C)n2)ccc1C#N ZINC000281633933 195316524 /nfs/dbraw/zinc/31/65/24/195316524.db2.gz IMCCYCKRGYBHLY-UHFFFAOYSA-N 0 3 282.347 2.640 20 30 CFEDHN COCCSc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000347117588 533269291 /nfs/dbraw/zinc/26/92/91/533269291.db2.gz UZAFTLOZRGOBCU-RYUDHWBXSA-N 0 3 292.404 2.762 20 30 CFEDHN COCCSc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000347117590 533269801 /nfs/dbraw/zinc/26/98/01/533269801.db2.gz UZAFTLOZRGOBCU-VXGBXAGGSA-N 0 3 292.404 2.762 20 30 CFEDHN COc1ccc2cc(CN(C)C(=O)C(C)C#N)ccc2c1 ZINC000347069073 533327247 /nfs/dbraw/zinc/32/72/47/533327247.db2.gz MWUCPYVPOWDFJF-LBPRGKRZSA-N 0 3 282.343 2.966 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426484279 533496612 /nfs/dbraw/zinc/49/66/12/533496612.db2.gz FVMOTRZWZBXYTI-ZFWWWQNUSA-N 0 3 256.349 2.941 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CCC[C@H]21 ZINC000426484278 533497158 /nfs/dbraw/zinc/49/71/58/533497158.db2.gz FVMOTRZWZBXYTI-UKRRQHHQSA-N 0 3 256.349 2.941 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341799850 130038440 /nfs/dbraw/zinc/03/84/40/130038440.db2.gz CWEXMLHAPQZPAE-DYVFJYSZSA-N 0 3 280.375 2.810 20 30 CFEDHN CN(C)CCN(C(=O)c1ccc(C#N)s1)C1CCCC1 ZINC000355350268 130286792 /nfs/dbraw/zinc/28/67/92/130286792.db2.gz YPLXATBMNKBHOV-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN CC(C)(C)CN(CC#Cc1ccccc1)CCCO ZINC000192012880 130350378 /nfs/dbraw/zinc/35/03/78/130350378.db2.gz TYKQXDGSMRTHCR-UHFFFAOYSA-N 0 3 259.393 2.769 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000342246685 130369807 /nfs/dbraw/zinc/36/98/07/130369807.db2.gz KYBLYHQRMGRLSL-NOZJJQNGSA-N 0 3 276.771 2.501 20 30 CFEDHN C[C@H](O)CCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356116527 130376630 /nfs/dbraw/zinc/37/66/30/130376630.db2.gz VCEBMMNFYCMYII-JTQLQIEISA-N 0 3 286.297 2.780 20 30 CFEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H]1CCCCO1 ZINC000356690707 130398795 /nfs/dbraw/zinc/39/87/95/130398795.db2.gz FUSOCURJJCGECI-GWCFXTLKSA-N 0 3 250.367 2.667 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C1CC1 ZINC000353146470 130584889 /nfs/dbraw/zinc/58/48/89/130584889.db2.gz XKTJODPEPLKXKR-AFAVFJNCSA-N 0 3 298.386 2.750 20 30 CFEDHN C=CCN(C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000249453317 131121241 /nfs/dbraw/zinc/12/12/41/131121241.db2.gz MUXWEDNCVFGJNO-WBVHZDCISA-N 0 3 275.392 2.559 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(F)c(Cl)c1 ZINC000683369153 542672194 /nfs/dbraw/zinc/67/21/94/542672194.db2.gz WDBSNGIZXBKQIS-CYBMUJFWSA-N 0 3 257.736 2.848 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2ncc(C)s2)CC1 ZINC000683373098 542672674 /nfs/dbraw/zinc/67/26/74/542672674.db2.gz JWIWBCOPMKOXOR-ZDUSSCGKSA-N 0 3 266.410 2.568 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H](C)C1 ZINC000261378527 131150727 /nfs/dbraw/zinc/15/07/27/131150727.db2.gz AMGVYCHISKPNHP-UONOGXRCSA-N 0 3 292.448 2.993 20 30 CFEDHN C[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000263697758 131311084 /nfs/dbraw/zinc/31/10/84/131311084.db2.gz RQUVMDNIJUKRLG-LJISPDSOSA-N 0 3 299.418 2.997 20 30 CFEDHN C=CCCC(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000263768219 131326299 /nfs/dbraw/zinc/32/62/99/131326299.db2.gz IGFVGOITIYQRBR-OAHLLOKOSA-N 0 3 264.413 2.767 20 30 CFEDHN CCN1CCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000263784606 131329721 /nfs/dbraw/zinc/32/97/21/131329721.db2.gz MJZZPYDGAPWRBE-NSHDSACASA-N 0 3 264.760 2.503 20 30 CFEDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000263781532 131330239 /nfs/dbraw/zinc/33/02/39/131330239.db2.gz VMSUYVCLZXOSGV-QGZVFWFLSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCC[NH+]1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000265781888 131635753 /nfs/dbraw/zinc/63/57/53/131635753.db2.gz GHCUJWYEDSEVHQ-UHFFFAOYSA-N 0 3 274.364 2.619 20 30 CFEDHN C=CCC[C@@H](O)CN1CCc2sccc2[C@H]1C ZINC000268530499 132023455 /nfs/dbraw/zinc/02/34/55/132023455.db2.gz FLDSRODYTPLYCE-VXGBXAGGSA-N 0 3 251.395 2.994 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000268658681 132043991 /nfs/dbraw/zinc/04/39/91/132043991.db2.gz LLSYEZLLCSIEGX-IAGOWNOFSA-N 0 3 281.359 2.757 20 30 CFEDHN C#CCOc1ccc([C@H](C)NC[C@@H]2CCCCO2)cc1 ZINC000268813840 132070361 /nfs/dbraw/zinc/07/03/61/132070361.db2.gz OWUGCYBHYOAGAU-YOEHRIQHSA-N 0 3 273.376 2.918 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H](CC)CN1CCCC1 ZINC000683840120 542733322 /nfs/dbraw/zinc/73/33/22/542733322.db2.gz QQNWEEWSKOJECS-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)NCc1ccc(C#N)cc1F ZINC000269445018 132172389 /nfs/dbraw/zinc/17/23/89/132172389.db2.gz UPJGEYFCWKWMBQ-KBPBESRZSA-N 0 3 289.398 2.907 20 30 CFEDHN C#CCN1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000372517149 393451317 /nfs/dbraw/zinc/45/13/17/393451317.db2.gz TUFDWGIZANTNPV-UHFFFAOYSA-N 0 3 292.423 2.733 20 30 CFEDHN CC(C)N(C)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000372634093 393452607 /nfs/dbraw/zinc/45/26/07/393452607.db2.gz FBFHBHBECQWQAZ-IAGOWNOFSA-N 0 3 299.418 2.625 20 30 CFEDHN CCCCCCCN1CCC[C@]2(CNC(=O)O2)C1 ZINC000372622896 393452726 /nfs/dbraw/zinc/45/27/26/393452726.db2.gz XGIILDGZVMBPLJ-AWEZNQCLSA-N 0 3 254.374 2.531 20 30 CFEDHN N#CCCCCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179559720 393468203 /nfs/dbraw/zinc/46/82/03/393468203.db2.gz LGTOMXQFGNYFKX-INIZCTEOSA-N 0 3 285.391 2.634 20 30 CFEDHN C=CCN1CCC(Nc2cc(-c3nc(C)no3)ccn2)CC1 ZINC000301360256 393470938 /nfs/dbraw/zinc/47/09/38/393470938.db2.gz AECRFOLKHWAPQI-UHFFFAOYSA-N 0 3 299.378 2.502 20 30 CFEDHN CC[C@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000373806227 393473600 /nfs/dbraw/zinc/47/36/00/393473600.db2.gz RBPFQRFYCYKZMX-HOCLYGCPSA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@@H]1C[C@@]2(CCO1)CN(CC(C)(C)CCC#N)C[C@H](C)O2 ZINC000373973422 393478007 /nfs/dbraw/zinc/47/80/07/393478007.db2.gz BMNMIZSJMJEZNZ-VYDXJSESSA-N 0 3 294.439 2.975 20 30 CFEDHN CC#CCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000304290210 393498279 /nfs/dbraw/zinc/49/82/79/393498279.db2.gz JGFPFQGSTRIXGY-INIZCTEOSA-N 0 3 261.340 2.594 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000308341247 393515945 /nfs/dbraw/zinc/51/59/45/393515945.db2.gz ITZFFOIWQHAWFW-GJZGRUSLSA-N 0 3 256.349 2.605 20 30 CFEDHN C=CC[C@@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000184274303 393525936 /nfs/dbraw/zinc/52/59/36/393525936.db2.gz PPZDXQIXRVOLJZ-AWEZNQCLSA-N 0 3 291.782 2.552 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Cl)cc2cccnc21 ZINC000184267941 393526157 /nfs/dbraw/zinc/52/61/57/393526157.db2.gz DYAUKQHFUJMURV-CQSZACIVSA-N 0 3 276.767 2.915 20 30 CFEDHN O=C(N[C@@H]1CCCCC[C@H]1O)C1CCN(C2CC2)CC1 ZINC000329350620 393532134 /nfs/dbraw/zinc/53/21/34/393532134.db2.gz WWLBWMXJMPPBME-HUUCEWRRSA-N 0 3 280.412 2.511 20 30 CFEDHN O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN1C1CCCC1 ZINC000329355263 393532369 /nfs/dbraw/zinc/53/23/69/393532369.db2.gz VSXZJPPYVLSKQA-UONOGXRCSA-N 0 3 293.411 2.859 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN2CC)CC(=O)N1 ZINC000329464559 393536151 /nfs/dbraw/zinc/53/61/51/393536151.db2.gz UTAISRUGSMAAAC-XQQFMLRXSA-N 0 3 281.400 2.572 20 30 CFEDHN Cc1cccc(C2=CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334298142 393591571 /nfs/dbraw/zinc/59/15/71/393591571.db2.gz BBKLDLANJAOAHF-ZDUSSCGKSA-N 0 3 254.333 2.770 20 30 CFEDHN CCN(CC)CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000075682540 393677035 /nfs/dbraw/zinc/67/70/35/393677035.db2.gz PUTIWIZFVHHJJX-AWEZNQCLSA-N 0 3 287.407 2.810 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)c(F)c1)OC ZINC000404118819 393617370 /nfs/dbraw/zinc/61/73/70/393617370.db2.gz MUWABKYSOFMMEE-XHDPSFHLSA-N 0 3 264.344 2.848 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000336495368 393738512 /nfs/dbraw/zinc/73/85/12/393738512.db2.gz UYWHSLJFBOMUJN-RDJZCZTQSA-N 0 3 273.351 2.678 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000411696565 393739697 /nfs/dbraw/zinc/73/96/97/393739697.db2.gz UQAUKDCGSOSEQY-DOTOQJQBSA-N 0 3 272.392 2.705 20 30 CFEDHN CCN1CCN(CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411716172 393741960 /nfs/dbraw/zinc/74/19/60/393741960.db2.gz FDUDCEXUWKLMHI-OAHLLOKOSA-N 0 3 263.429 2.877 20 30 CFEDHN CC(C)N(CCC1(C#N)CCCCC1)C[C@H]1CCC(=O)N1 ZINC000412094227 393762185 /nfs/dbraw/zinc/76/21/85/393762185.db2.gz WUXBQZKKUSLWNB-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN N#CC1(CCN2CC[C@@](O)(C(F)F)C2)CCCCC1 ZINC000411795074 393748600 /nfs/dbraw/zinc/74/86/00/393748600.db2.gz JPERNDPSSXTITD-AWEZNQCLSA-N 0 3 272.339 2.552 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000335725407 393693386 /nfs/dbraw/zinc/69/33/86/393693386.db2.gz AFJHTANOBIYEIR-DOMZBBRYSA-N 0 3 271.364 2.576 20 30 CFEDHN C[C@H](CCC#N)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411979618 393759292 /nfs/dbraw/zinc/75/92/92/393759292.db2.gz DVOPJHFZLZIQIY-CVEARBPZSA-N 0 3 271.408 2.885 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC[C@H]2F)cc1 ZINC000412671007 393771264 /nfs/dbraw/zinc/77/12/64/393771264.db2.gz JQQHLWCQLSOUAC-ARFHVFGLSA-N 0 3 299.349 2.637 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000338141951 393775261 /nfs/dbraw/zinc/77/52/61/393775261.db2.gz FBVKBTOMBCDVAP-MRXNPFEDSA-N 0 3 297.402 2.567 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)N(C)C ZINC000413991687 393793052 /nfs/dbraw/zinc/79/30/52/393793052.db2.gz WJKZQQGYGGJLSM-IAGOWNOFSA-N 0 3 288.435 2.876 20 30 CFEDHN C=CCN(C)CCOc1ccc(Br)cc1 ZINC000338973389 393807542 /nfs/dbraw/zinc/80/75/42/393807542.db2.gz ZQSZZTHIRFTPIT-UHFFFAOYSA-N 0 3 270.170 2.946 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1cnn(Cc2ccccc2)c1 ZINC000339085535 393815977 /nfs/dbraw/zinc/81/59/77/393815977.db2.gz PBTIVPISFIEJMH-OAHLLOKOSA-N 0 3 298.390 2.512 20 30 CFEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCOCCC#N ZINC000339095967 393818444 /nfs/dbraw/zinc/81/84/44/393818444.db2.gz RAOBSXHHHZFBBM-MRXNPFEDSA-N 0 3 287.407 2.517 20 30 CFEDHN COCCO[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000245744927 393826364 /nfs/dbraw/zinc/82/63/64/393826364.db2.gz AAWSQIMLEDSWLB-WMLDXEAASA-N 0 3 288.391 2.747 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC000106040065 393865241 /nfs/dbraw/zinc/86/52/41/393865241.db2.gz YYECBOHVSPCBGM-UHFFFAOYSA-N 0 3 286.419 2.694 20 30 CFEDHN C=C[C@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000342823360 393871089 /nfs/dbraw/zinc/87/10/89/393871089.db2.gz ITJRDSPXKIXIGS-AXFHLTTASA-N 0 3 292.345 2.586 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000342846083 393871643 /nfs/dbraw/zinc/87/16/43/393871643.db2.gz ICRJFEINIDWEAG-CABCVRRESA-N 0 3 281.444 2.762 20 30 CFEDHN CCCc1ccc([C@@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000343038416 393878176 /nfs/dbraw/zinc/87/81/76/393878176.db2.gz RTHMOJZRMBEBJU-KRWDZBQOSA-N 0 3 287.407 2.566 20 30 CFEDHN COc1ccccc1[C@@H](NC(=O)C(C)C#N)c1ccco1 ZINC000426972347 393891389 /nfs/dbraw/zinc/89/13/89/393891389.db2.gz OCDBECGRCPLFTJ-XHDPSFHLSA-N 0 3 284.315 2.653 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@](C)(CC)C1 ZINC000344234238 393897108 /nfs/dbraw/zinc/89/71/08/393897108.db2.gz JCQOKVIOCGGEML-GOEBONIOSA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345714385 393913973 /nfs/dbraw/zinc/91/39/73/393913973.db2.gz QOBCOKAAZFDRJX-AWEZNQCLSA-N 0 3 293.455 2.799 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)NCc1cc(C#N)cs1 ZINC000246159544 393851183 /nfs/dbraw/zinc/85/11/83/393851183.db2.gz ICBSEEMAHSOGIO-STQMWFEESA-N 0 3 277.437 2.830 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000345496085 393909939 /nfs/dbraw/zinc/90/99/39/393909939.db2.gz YJQUUJGFJQEZAQ-MNOVXSKESA-N 0 3 287.450 2.842 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2c(s1)CCC2 ZINC000684767371 542851122 /nfs/dbraw/zinc/85/11/22/542851122.db2.gz GSOZIAHZRFANJZ-ABAIWWIYSA-N 0 3 278.421 2.703 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000684671346 542843855 /nfs/dbraw/zinc/84/38/55/542843855.db2.gz LXNHAUARNKFVFU-JKSUJKDBSA-N 0 3 284.403 2.773 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](CC2CC2)c2ccccc2)C1=O ZINC000684890221 542866255 /nfs/dbraw/zinc/86/62/55/542866255.db2.gz DNGPQGSAYVBQFK-SJORKVTESA-N 0 3 284.403 2.904 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000121163135 393950527 /nfs/dbraw/zinc/95/05/27/393950527.db2.gz QXBUQBQOSUSCOE-CYBMUJFWSA-N 0 3 276.380 2.920 20 30 CFEDHN COc1ccc(C[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000346438573 393929940 /nfs/dbraw/zinc/92/99/40/393929940.db2.gz QZHUKVSXEXILFJ-HIFRSBDPSA-N 0 3 286.375 2.636 20 30 CFEDHN C[C@@H]1CN(CCC(C)(C)C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000347075629 393936707 /nfs/dbraw/zinc/93/67/07/393936707.db2.gz FFEFUATZSMAJKW-FMKPAKJESA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000121120162 393948954 /nfs/dbraw/zinc/94/89/54/393948954.db2.gz VOVNZCHBCGNNHX-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C#N)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000346189455 393922526 /nfs/dbraw/zinc/92/25/26/393922526.db2.gz OUEYTHZXUAGICL-NSHDSACASA-N 0 3 260.312 2.519 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346192269 393922694 /nfs/dbraw/zinc/92/26/94/393922694.db2.gz MUZNXPDOIYHFGE-YHUYYLMFSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1[nH]ccc1C)C(C)C ZINC000435458483 394018655 /nfs/dbraw/zinc/01/86/55/394018655.db2.gz JQWPSKHBVAZUTN-OAHLLOKOSA-N 0 3 289.423 2.752 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]ccc1C)C(C)C ZINC000435458478 394018722 /nfs/dbraw/zinc/01/87/22/394018722.db2.gz JQWPSKHBVAZUTN-HNNXBMFYSA-N 0 3 289.423 2.752 20 30 CFEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000271735698 394022498 /nfs/dbraw/zinc/02/24/98/394022498.db2.gz ZKMTZNJIKSBMCT-NVXWUHKLSA-N 0 3 287.407 2.782 20 30 CFEDHN C=CCc1cc(CN(C)C[C@@H](C)OC)cc(OC)c1O ZINC000348836517 393959380 /nfs/dbraw/zinc/95/93/80/393959380.db2.gz CRYVSENIVJXAHX-GFCCVEGCSA-N 0 3 279.380 2.596 20 30 CFEDHN C[C@@H]1C[C@@H]1N1CCN(Cc2ccc(C#N)s2)C[C@@H](C)C1 ZINC000430145660 393961702 /nfs/dbraw/zinc/96/17/02/393961702.db2.gz GSFLIDMBYVZVGM-IOASZLSFSA-N 0 3 289.448 2.782 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@H](O)CCOC(C)C ZINC000349241577 393965856 /nfs/dbraw/zinc/96/58/56/393965856.db2.gz KUQPXMFCXWLIQT-AWEZNQCLSA-N 0 3 283.437 2.912 20 30 CFEDHN COC[C@H](Cc1ccccc1)N[C@H]1CC[C@@H](C#N)C1 ZINC000349338726 393968192 /nfs/dbraw/zinc/96/81/92/393968192.db2.gz AEMMYAQNZJVACB-PMPSAXMXSA-N 0 3 258.365 2.526 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000349601596 393971563 /nfs/dbraw/zinc/97/15/63/393971563.db2.gz STMMAQVHLFCDOR-WDMOLILDSA-N 0 3 260.312 2.895 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000265523696 393974072 /nfs/dbraw/zinc/97/40/72/393974072.db2.gz OMJXDOKDTQNVAI-BBRMVZONSA-N 0 3 298.386 2.894 20 30 CFEDHN N#CCc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000122963790 393974342 /nfs/dbraw/zinc/97/43/42/393974342.db2.gz VRVBXURUNKUEAV-INIZCTEOSA-N 0 3 283.375 2.566 20 30 CFEDHN CC1=C[C@@H](C)CN(CCOc2ccccc2C#N)C1 ZINC000430283964 393979556 /nfs/dbraw/zinc/97/95/56/393979556.db2.gz LOZQPFYYKGBIFI-CYBMUJFWSA-N 0 3 256.349 2.835 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000351226087 393983169 /nfs/dbraw/zinc/98/31/69/393983169.db2.gz MGKXOFHYCVVZRH-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000491338672 394048875 /nfs/dbraw/zinc/04/88/75/394048875.db2.gz KLMRSKONZPRNOK-ZOBUZTSGSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](CCC)C(C)(C)C)CC1 ZINC000491679092 394056052 /nfs/dbraw/zinc/05/60/52/394056052.db2.gz WLTXPQPZCDNCCG-HNNXBMFYSA-N 0 3 278.440 2.663 20 30 CFEDHN C#C[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(C)(C)C ZINC000491692142 394056751 /nfs/dbraw/zinc/05/67/51/394056751.db2.gz QJKWTPIMMPDWSI-LSDHHAIUSA-N 0 3 276.424 2.558 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2)C2CC2)C1=O ZINC000281969140 394102696 /nfs/dbraw/zinc/10/26/96/394102696.db2.gz KYZJWEVOOPVOED-HOTGVXAUSA-N 0 3 270.376 2.514 20 30 CFEDHN CC(C)=CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280034667 394069620 /nfs/dbraw/zinc/06/96/20/394069620.db2.gz NLVBCADYDUVKMT-MRXNPFEDSA-N 0 3 281.359 2.713 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2C)C2CC2)C1=O ZINC000281886369 394089067 /nfs/dbraw/zinc/08/90/67/394089067.db2.gz DLBWOGZANYQRFE-IRXDYDNUSA-N 0 3 284.403 2.823 20 30 CFEDHN C=CCN(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000492946397 394104960 /nfs/dbraw/zinc/10/49/60/394104960.db2.gz VTVUTBKIYVRWPQ-UHFFFAOYSA-N 0 3 256.390 2.655 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000130308099 394108169 /nfs/dbraw/zinc/10/81/69/394108169.db2.gz CSAAQFYOVXMKJO-IRXDYDNUSA-N 0 3 275.367 2.803 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccncc2OCC(F)F)C1 ZINC000442862422 394140132 /nfs/dbraw/zinc/14/01/32/394140132.db2.gz ZZHIRZIXROSFHL-AAEUAGOBSA-N 0 3 295.333 2.897 20 30 CFEDHN C[C@@H]1CCN(C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000360310382 394148509 /nfs/dbraw/zinc/14/85/09/394148509.db2.gz LDTXKVNQJNZPLL-MRXNPFEDSA-N 0 3 299.418 2.803 20 30 CFEDHN C=CCC[C@@H](NCCC(=O)NC(C)C)c1ccco1 ZINC000285824994 394152229 /nfs/dbraw/zinc/15/22/29/394152229.db2.gz WQFCFCKHAIGIOU-CYBMUJFWSA-N 0 3 264.369 2.791 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(Cl)cc2c1OCC2 ZINC000361044349 394163579 /nfs/dbraw/zinc/16/35/79/394163579.db2.gz SXVLADAIHMDPGD-LLVKDONJSA-N 0 3 281.783 2.549 20 30 CFEDHN Cc1c([C@H](C)NCCCCC#N)nnn1-c1ccccc1 ZINC000361107858 394165700 /nfs/dbraw/zinc/16/57/00/394165700.db2.gz ISTYNBFSCBPBKN-ZDUSSCGKSA-N 0 3 283.379 2.920 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](O)c1ccccc1 ZINC000288614980 394213185 /nfs/dbraw/zinc/21/31/85/394213185.db2.gz RAJKTGOUTGJZPJ-ABAIWWIYSA-N 0 3 272.373 2.831 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1C(C)(C)C)C(C)(C)C ZINC000290060013 394226009 /nfs/dbraw/zinc/22/60/09/394226009.db2.gz FFLSQLPBRBYQAZ-CYBMUJFWSA-N 0 3 261.413 2.855 20 30 CFEDHN Cc1nc(N[C@H]2CCN3CCCC[C@@H]23)c(Cl)cc1C#N ZINC000290926793 394235759 /nfs/dbraw/zinc/23/57/59/394235759.db2.gz INAZHODYNJGHPO-KBPBESRZSA-N 0 3 290.798 2.954 20 30 CFEDHN C=CCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367068972 394250471 /nfs/dbraw/zinc/25/04/71/394250471.db2.gz ZTXIAHAFBYHMRX-UHFFFAOYSA-N 0 3 255.365 2.905 20 30 CFEDHN CC[C@H]1CCCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000150748049 394250930 /nfs/dbraw/zinc/25/09/30/394250930.db2.gz ZKCOMKWZLOVPKU-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN Cc1nsc(NCCN2CCCC[C@H]2C)c1C#N ZINC000286068233 394187373 /nfs/dbraw/zinc/18/73/73/394187373.db2.gz IYGWPZUFWXJPDT-SNVBAGLBSA-N 0 3 264.398 2.610 20 30 CFEDHN C=CCC[C@@H](NCC1(C(N)=O)CCCC1)c1ccco1 ZINC000286082296 394189077 /nfs/dbraw/zinc/18/90/77/394189077.db2.gz MIMUSYINWAETDM-CYBMUJFWSA-N 0 3 276.380 2.922 20 30 CFEDHN CN1CCC[C@@H]2CN(c3nc(Cl)c(C#N)s3)CC[C@@H]21 ZINC000286117619 394193284 /nfs/dbraw/zinc/19/32/84/394193284.db2.gz GMJZMFKSCIMZEU-ZJUUUORDSA-N 0 3 296.827 2.589 20 30 CFEDHN Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)c(Cl)cc1C#N ZINC000292708327 394275826 /nfs/dbraw/zinc/27/58/26/394275826.db2.gz SOLBISLPOXHMPJ-OLZOCXBDSA-N 0 3 290.798 2.588 20 30 CFEDHN C=CCOc1ccc(CNC2(CF)CCOCC2)cc1 ZINC000449444332 394277586 /nfs/dbraw/zinc/27/75/86/394277586.db2.gz ABANNLQCHJMPQR-UHFFFAOYSA-N 0 3 279.355 2.860 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1scnc1C1CC1 ZINC000449549621 394280464 /nfs/dbraw/zinc/28/04/64/394280464.db2.gz ZNOOKIWLUFBRML-NEPJUHHUSA-N 0 3 264.394 2.844 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ncccc1C(F)(F)F ZINC000449548655 394280826 /nfs/dbraw/zinc/28/08/26/394280826.db2.gz PJSJHCORSJBZEQ-YPMHNXCESA-N 0 3 286.297 2.924 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)O ZINC000449542508 394280953 /nfs/dbraw/zinc/28/09/53/394280953.db2.gz MNTOBRRVEYWVLX-RNCFNFMXSA-N 0 3 286.297 2.826 20 30 CFEDHN C#CCCN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000371183768 394298563 /nfs/dbraw/zinc/29/85/63/394298563.db2.gz KQPIUTREBRIUSZ-QGZVFWFLSA-N 0 3 276.424 2.513 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H](O)C(F)F ZINC000296233558 394306537 /nfs/dbraw/zinc/30/65/37/394306537.db2.gz CDURDVPWUCVTKL-TVYUQYBPSA-N 0 3 268.307 2.613 20 30 CFEDHN CC#CCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000155366251 394315724 /nfs/dbraw/zinc/31/57/24/394315724.db2.gz SLSSBWIYFCZERD-UHFFFAOYSA-N 0 3 296.374 2.724 20 30 CFEDHN CC#CCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000156601629 394336249 /nfs/dbraw/zinc/33/62/49/394336249.db2.gz ASGAQKHEQPQHJF-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000453362629 394391140 /nfs/dbraw/zinc/39/11/40/394391140.db2.gz BMAGMHDNXQZDGG-MRXNPFEDSA-N 0 3 276.355 2.992 20 30 CFEDHN C[C@H]1CCN(CCCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000516648471 394369964 /nfs/dbraw/zinc/36/99/64/394369964.db2.gz XBXHEXATWORHES-QWHCGFSZSA-N 0 3 266.385 2.590 20 30 CFEDHN N#CCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241503 394378113 /nfs/dbraw/zinc/37/81/13/394378113.db2.gz HDPQVGWIHXPFRV-UHFFFAOYSA-N 0 3 289.335 2.742 20 30 CFEDHN CN(CCCSCC#N)Cc1ccc(Cl)nc1 ZINC000177626448 394384263 /nfs/dbraw/zinc/38/42/63/394384263.db2.gz WEDAGQNWEGDWEG-UHFFFAOYSA-N 0 3 269.801 2.814 20 30 CFEDHN C[C@H](CC(C)(C)O)N[C@H](C)c1ccc(C#N)cc1F ZINC000453320466 394385276 /nfs/dbraw/zinc/38/52/76/394385276.db2.gz NGRUGTGENKAIDJ-GHMZBOCLSA-N 0 3 264.344 2.897 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@@H](C)O ZINC000453324208 394385450 /nfs/dbraw/zinc/38/54/50/394385450.db2.gz BRTDPINAANTZQJ-RULNRJAQSA-N 0 3 250.317 2.507 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](C)O ZINC000453324204 394385517 /nfs/dbraw/zinc/38/55/17/394385517.db2.gz BRTDPINAANTZQJ-BHDSKKPTSA-N 0 3 250.317 2.507 20 30 CFEDHN CC[C@H](O)[C@H](CC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453347121 394388274 /nfs/dbraw/zinc/38/82/74/394388274.db2.gz FFQSTAWRYNTCRS-LKTVYLICSA-N 0 3 264.344 2.897 20 30 CFEDHN CC(C)OC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000531164647 394529660 /nfs/dbraw/zinc/52/96/60/394529660.db2.gz RDISJNYRENUDES-UHFFFAOYSA-N 0 3 288.391 2.826 20 30 CFEDHN COC(=O)c1cccc(CN2C[C@H]3CCCC[C@@H]3C2)c1C#N ZINC000535962320 394551023 /nfs/dbraw/zinc/55/10/23/394551023.db2.gz DOQKNNFNRRDJPM-ZIAGYGMSSA-N 0 3 298.386 2.967 20 30 CFEDHN Cn1cc(C(C)(C)NCCCOc2cccc(C#N)c2)cn1 ZINC000547412743 394864646 /nfs/dbraw/zinc/86/46/46/394864646.db2.gz CZTPULCWLWNCPA-UHFFFAOYSA-N 0 3 298.390 2.586 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)cc1 ZINC000548126733 394913217 /nfs/dbraw/zinc/91/32/17/394913217.db2.gz LZMWNCGGGAQHSV-MRXNPFEDSA-N 0 3 285.391 2.505 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCCc2ccccc21 ZINC000594426938 395103401 /nfs/dbraw/zinc/10/34/01/395103401.db2.gz GMXJEGQALGNQMT-OAHLLOKOSA-N 0 3 285.391 2.767 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnn(-c2ccccc2C)c1 ZINC000647215870 395232958 /nfs/dbraw/zinc/23/29/58/395232958.db2.gz KIYCHTPXAVNVQN-MRXNPFEDSA-N 0 3 285.391 2.597 20 30 CFEDHN Cn1cccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647371786 395318019 /nfs/dbraw/zinc/31/80/19/395318019.db2.gz YUPCHNOJHPOYHQ-SNVBAGLBSA-N 0 3 271.345 2.849 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc2cc(Cl)cnc2o1 ZINC000648822550 395328242 /nfs/dbraw/zinc/32/82/42/395328242.db2.gz XDONCPMDFITGTQ-LBPRGKRZSA-N 0 3 280.755 2.898 20 30 CFEDHN C=CCCCCN1CCN(Cc2ccccn2)CC1 ZINC000649234496 395457585 /nfs/dbraw/zinc/45/75/85/395457585.db2.gz QWVWDZCPMWMCSI-UHFFFAOYSA-N 0 3 259.397 2.556 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCS[C@@H](c2ccccc2)C1 ZINC000649316936 395472187 /nfs/dbraw/zinc/47/21/87/395472187.db2.gz AYCXVXSZDCHJFD-HUUCEWRRSA-N 0 3 263.406 2.714 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(OCc2ccccc2F)CC1 ZINC000649406396 395487539 /nfs/dbraw/zinc/48/75/39/395487539.db2.gz HPNXNIKWRJMARS-QGZVFWFLSA-N 0 3 293.382 2.744 20 30 CFEDHN C=CCN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000649782226 395570278 /nfs/dbraw/zinc/57/02/78/395570278.db2.gz HLTPIWDSMGNWBA-YPMHNXCESA-N 0 3 261.369 2.634 20 30 CFEDHN C=CCOCCN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649895230 395586906 /nfs/dbraw/zinc/58/69/06/395586906.db2.gz GSBHQEUQHIJKHE-ZDUSSCGKSA-N 0 3 263.356 2.990 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000380002590 543070133 /nfs/dbraw/zinc/07/01/33/543070133.db2.gz AYKDZBYBHPPSKC-CYBMUJFWSA-N 0 3 277.364 2.701 20 30 CFEDHN C=CCOCCNCc1ccc(OC)c(Cl)c1 ZINC000383004839 543099817 /nfs/dbraw/zinc/09/98/17/543099817.db2.gz GBBLGTWKFQQHNU-UHFFFAOYSA-N 0 3 255.745 2.641 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000426380496 397573700 /nfs/dbraw/zinc/57/37/00/397573700.db2.gz LLQDIZQPXHPUCP-HOCLYGCPSA-N 0 3 291.439 2.753 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177544629 397609265 /nfs/dbraw/zinc/60/92/65/397609265.db2.gz CVAQCLXUFXTNQP-YQQAZPJKSA-N 0 3 299.418 2.625 20 30 CFEDHN CCC#C[C@H](C)N1CCC(OCCOC(C)C)CC1 ZINC000650251502 397738141 /nfs/dbraw/zinc/73/81/41/397738141.db2.gz VXLLPDKSUHBYRP-HNNXBMFYSA-N 0 3 267.413 2.694 20 30 CFEDHN C=CCCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000660247829 413182145 /nfs/dbraw/zinc/18/21/45/413182145.db2.gz BOHUFHAJTGFPGH-MRXNPFEDSA-N 0 3 289.423 2.945 20 30 CFEDHN C[C@@]1(O)CCCN(CCC2(C#N)CCCCC2)C1 ZINC000334558251 289208078 /nfs/dbraw/zinc/20/80/78/289208078.db2.gz LQKKOPFRMOZZND-CQSZACIVSA-N 0 3 250.386 2.697 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000335755887 289235752 /nfs/dbraw/zinc/23/57/52/289235752.db2.gz KIEVCOLZJSAIFL-BDAKNGLRSA-N 0 3 264.275 2.570 20 30 CFEDHN C[C@@H]1CC[C@H](N(CCO)Cc2ccc(C#N)cc2F)C1 ZINC000356357424 155238558 /nfs/dbraw/zinc/23/85/58/155238558.db2.gz FTZANYQIYWHZSK-DOMZBBRYSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](CNC(=O)c1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000343313056 154172888 /nfs/dbraw/zinc/17/28/88/154172888.db2.gz HIDISGRWZGRSGO-ZIAGYGMSSA-N 0 3 285.391 2.551 20 30 CFEDHN C[C@H](NC[C@@H](O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000358594791 155814974 /nfs/dbraw/zinc/81/49/74/155814974.db2.gz UGCPUEKLDBCNHN-IINYFYTJSA-N 0 3 264.344 2.755 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](COC)OC ZINC000660446139 413322723 /nfs/dbraw/zinc/32/27/23/413322723.db2.gz PUYXXGZITRMLCO-INIZCTEOSA-N 0 3 263.381 2.726 20 30 CFEDHN COc1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1C#N ZINC000367449514 156333905 /nfs/dbraw/zinc/33/39/05/156333905.db2.gz MXCRPRNNZLIDGT-QGZVFWFLSA-N 0 3 286.375 2.569 20 30 CFEDHN C=CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000660451110 413326626 /nfs/dbraw/zinc/32/66/26/413326626.db2.gz XZVNPXOPVRIPMT-ZBFHGGJFSA-N 0 3 287.407 2.697 20 30 CFEDHN COc1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)ccc1C#N ZINC000374206041 157081155 /nfs/dbraw/zinc/08/11/55/157081155.db2.gz QSQZFJPYLKTRKH-CVEARBPZSA-N 0 3 286.375 2.568 20 30 CFEDHN COc1ccc(CN2CCC[C@H](OC)CC2)cc1C#N ZINC000374678020 157148605 /nfs/dbraw/zinc/14/86/05/157148605.db2.gz JCTDBJMOWLXLAH-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)s1 ZINC000375024239 157184641 /nfs/dbraw/zinc/18/46/41/157184641.db2.gz WQNISYGPADUSGY-MRCXROJRSA-N 0 3 262.378 2.838 20 30 CFEDHN Cn1ccnc1[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000376046079 157318115 /nfs/dbraw/zinc/31/81/15/157318115.db2.gz YISMIEABCRMMJS-LBPRGKRZSA-N 0 3 286.404 2.733 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000408225237 157388991 /nfs/dbraw/zinc/38/89/91/157388991.db2.gz JCPGIGPQMWUBDL-QWHCGFSZSA-N 0 3 270.380 2.607 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)C2CCCCC2)nn1 ZINC000653599326 413397402 /nfs/dbraw/zinc/39/74/02/413397402.db2.gz IQCLRALRAUIRLA-ZDUSSCGKSA-N 0 3 262.401 2.913 20 30 CFEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000344698867 162102372 /nfs/dbraw/zinc/10/23/72/162102372.db2.gz IUDQVLLPELLPAX-CQSZACIVSA-N 0 3 286.400 2.967 20 30 CFEDHN C[C@@H](CO)NCc1cccc(OCc2ccccc2C#N)c1 ZINC000344760471 162117721 /nfs/dbraw/zinc/11/77/21/162117721.db2.gz LVSLGRJMOPEZSA-AWEZNQCLSA-N 0 3 296.370 2.608 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCCN1CC ZINC000660634898 413453834 /nfs/dbraw/zinc/45/38/34/413453834.db2.gz WFXCYAHLTGAHPX-XHSDSOJGSA-N 0 3 291.439 2.753 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085304513 782011143 /nfs/dbraw/zinc/01/11/43/782011143.db2.gz FCCGDBVXOUGIIU-GZBLMMOJSA-N 0 3 296.842 2.802 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCC[C@@H](C)C2)nn1 ZINC000657328508 413454833 /nfs/dbraw/zinc/45/48/33/413454833.db2.gz XURJFPLEPNQYPT-KGLIPLIRSA-N 0 3 262.401 2.770 20 30 CFEDHN CN(CCN(C)C1CC1)c1cc(C#N)c2ccccc2n1 ZINC000351566246 163148533 /nfs/dbraw/zinc/14/85/33/163148533.db2.gz YPWMIWSINAEGNB-UHFFFAOYSA-N 0 3 280.375 2.637 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)n1 ZINC000352824201 163243510 /nfs/dbraw/zinc/24/35/10/163243510.db2.gz CZPSKVDKNDDJAK-LZWOXQAQSA-N 0 3 281.384 2.690 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352840540 163249997 /nfs/dbraw/zinc/24/99/97/163249997.db2.gz NNXOLCTYTOWGRN-CQSZACIVSA-N 0 3 292.452 2.759 20 30 CFEDHN Cc1c2c(nc(SC[C@H]3CCN(C)C3)c1C#N)CCC2 ZINC000352900835 163265762 /nfs/dbraw/zinc/26/57/62/163265762.db2.gz KBUAUPFMQDERMP-LBPRGKRZSA-N 0 3 287.432 2.794 20 30 CFEDHN CC(C)(C)C[C@H](O)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353272125 163335319 /nfs/dbraw/zinc/33/53/19/163335319.db2.gz ADGVQHOEFVHZHW-GOEBONIOSA-N 0 3 272.392 2.932 20 30 CFEDHN CC[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000353556449 163393745 /nfs/dbraw/zinc/39/37/45/163393745.db2.gz GCVKTBVQWOJGFQ-ZWNOBZJWSA-N 0 3 250.317 2.773 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnc(C)s1 ZINC000651452881 413473515 /nfs/dbraw/zinc/47/35/15/413473515.db2.gz UTVMCDBDJHGIHN-JLLWLGSASA-N 0 3 252.383 2.836 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@H]1[C@H]1CCCO1 ZINC000284338958 196033926 /nfs/dbraw/zinc/03/39/26/196033926.db2.gz CAPBTCUGFPWWDN-DLBZAZTESA-N 0 3 255.361 2.682 20 30 CFEDHN CN(CCc1cscn1)Cc1cccc(C#N)c1 ZINC000284360753 196038643 /nfs/dbraw/zinc/03/86/43/196038643.db2.gz STOCZKIJJUXZOE-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN N#Cc1ccc(OCCN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284374052 196042793 /nfs/dbraw/zinc/04/27/93/196042793.db2.gz FDSOVMQYLGXOBR-SJORKVTESA-N 0 3 286.375 2.580 20 30 CFEDHN COc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1C#N ZINC000284730756 196119780 /nfs/dbraw/zinc/11/97/80/196119780.db2.gz KHVMFMHDVWAXTO-DOTOQJQBSA-N 0 3 286.375 2.710 20 30 CFEDHN COc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000284730759 196120362 /nfs/dbraw/zinc/12/03/62/196120362.db2.gz KHVMFMHDVWAXTO-NVXWUHKLSA-N 0 3 286.375 2.710 20 30 CFEDHN C=C(C)COCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657397359 413554202 /nfs/dbraw/zinc/55/42/02/413554202.db2.gz ARWNETVHSNCZFG-QGZVFWFLSA-N 0 3 291.391 2.537 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)CCc2ccc(C)o2)nn1 ZINC000657376099 413521831 /nfs/dbraw/zinc/52/18/31/413521831.db2.gz CEYBXDHRURZIET-CYBMUJFWSA-N 0 3 288.395 2.867 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](C)Cc2cccs2)nn1 ZINC000657379847 413526730 /nfs/dbraw/zinc/52/67/30/413526730.db2.gz DSCNQOGADPVAPL-ZDUSSCGKSA-N 0 3 290.436 2.884 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)s1 ZINC000285067757 196189583 /nfs/dbraw/zinc/18/95/83/196189583.db2.gz LUUFQYLZHCCFDJ-KGLIPLIRSA-N 0 3 262.378 2.763 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NCCCC ZINC000285073596 196191512 /nfs/dbraw/zinc/19/15/12/196191512.db2.gz KFROSXYMRDTYDK-WBVHZDCISA-N 0 3 286.419 2.515 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)Cn2cccn2)cc1 ZINC000035272038 172092882 /nfs/dbraw/zinc/09/28/82/172092882.db2.gz GCLIRNQEUKHWDK-AWEZNQCLSA-N 0 3 271.364 2.626 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2cccnc2OCCOC)C1 ZINC000651678528 413566436 /nfs/dbraw/zinc/56/64/36/413566436.db2.gz SXZCASPKCULGJS-HOCLYGCPSA-N 0 3 290.407 2.941 20 30 CFEDHN N#Cc1ccc(OC2CCN(CCCF)CC2)c(F)c1 ZINC000285380110 196265750 /nfs/dbraw/zinc/26/57/50/196265750.db2.gz COJMOBILHPZWIZ-UHFFFAOYSA-N 0 3 280.318 2.900 20 30 CFEDHN C=CC[C@H](CO)CNCc1cccc(OC2CC2)c1F ZINC000657426473 413591805 /nfs/dbraw/zinc/59/18/05/413591805.db2.gz FTAYOMVIOCSWND-LBPRGKRZSA-N 0 3 279.355 2.641 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nccn1C(C)C ZINC000657454763 413627564 /nfs/dbraw/zinc/62/75/64/413627564.db2.gz MAYYIECSBKYCRZ-ZFWWWQNUSA-N 0 3 263.385 2.535 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CO[C@@H](CC)C2)cc1 ZINC000657460569 413631346 /nfs/dbraw/zinc/63/13/46/413631346.db2.gz HKXJXXRWJZYVQU-GJZGRUSLSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000664216310 413639872 /nfs/dbraw/zinc/63/98/72/413639872.db2.gz GXSSTJQQEBENDA-KBPBESRZSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H]2CC)nn1 ZINC000657478828 413659577 /nfs/dbraw/zinc/65/95/77/413659577.db2.gz OXINOTJTLCSMTR-KBPBESRZSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCCn1cc(CNCCC(C)(C)C2CC2)nn1 ZINC000657476965 413661187 /nfs/dbraw/zinc/66/11/87/413661187.db2.gz VMWWCYFOOZAETO-UHFFFAOYSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[n-]2)C1 ZINC000651829119 413671889 /nfs/dbraw/zinc/67/18/89/413671889.db2.gz PHMWDTBWCDFOGB-NEPJUHHUSA-N 0 3 262.401 2.937 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2nnc(C(C)(C)C)[nH]2)C1 ZINC000651829119 413671899 /nfs/dbraw/zinc/67/18/99/413671899.db2.gz PHMWDTBWCDFOGB-NEPJUHHUSA-N 0 3 262.401 2.937 20 30 CFEDHN C=CCCCCNCc1c(C(F)(F)F)cnn1C ZINC000657438367 413606557 /nfs/dbraw/zinc/60/65/57/413606557.db2.gz JQGLUJWFRPBIFB-UHFFFAOYSA-N 0 3 261.291 2.885 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000651763654 413623085 /nfs/dbraw/zinc/62/30/85/413623085.db2.gz GSWUXEVZHQAENW-BYCMXARLSA-N 0 3 276.355 2.687 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654314345 413807357 /nfs/dbraw/zinc/80/73/57/413807357.db2.gz IMAVTCAHLOXOQN-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC1(NCc2cc(OC)ccc2OC)CCOCC1 ZINC000657632977 413810458 /nfs/dbraw/zinc/81/04/58/413810458.db2.gz PHHVAOKTBOXMKW-UHFFFAOYSA-N 0 3 291.391 2.919 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ncnn1CCC ZINC000661113794 413767018 /nfs/dbraw/zinc/76/70/18/413767018.db2.gz ARPXWAYOAVJYDT-KBPBESRZSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1cc(C)no1 ZINC000661117602 413769131 /nfs/dbraw/zinc/76/91/31/413769131.db2.gz SJNFREDIUSQCRL-OLZOCXBDSA-N 0 3 277.368 2.646 20 30 CFEDHN CN(C)[C@@H](CNc1ccnc(C#N)c1)c1ccccc1 ZINC000285545947 196321480 /nfs/dbraw/zinc/32/14/80/196321480.db2.gz IFWCNAVAIWGXKX-INIZCTEOSA-N 0 3 266.348 2.668 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000657703058 413870383 /nfs/dbraw/zinc/87/03/83/413870383.db2.gz LDDZPYPOUAWRPP-CVEARBPZSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000654482069 413880883 /nfs/dbraw/zinc/88/08/83/413880883.db2.gz WUSDLPGVQIPWOK-KGLIPLIRSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCOc1cccc(CNCCc2cncc(C)n2)c1 ZINC000657711024 413883298 /nfs/dbraw/zinc/88/32/98/413883298.db2.gz ZXBAPMARTMCQBW-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN C=CCOCCCNCc1cnc(C)n1-c1ccccc1 ZINC000657658294 413825226 /nfs/dbraw/zinc/82/52/26/413825226.db2.gz RETLYQDDKROFFM-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCOCCCNCc1nc2ccc(OC)cc2s1 ZINC000657659258 413825608 /nfs/dbraw/zinc/82/56/08/413825608.db2.gz UKWJXBJQDXDRTM-UHFFFAOYSA-N 0 3 292.404 2.987 20 30 CFEDHN C=CCOCCCNCc1ccc(Br)cn1 ZINC000657658390 413826826 /nfs/dbraw/zinc/82/68/26/413826826.db2.gz VQSVBZFXTUPXOB-UHFFFAOYSA-N 0 3 285.185 2.526 20 30 CFEDHN C=CC[C@H]1CCCN(CCN2C(=O)c3ccccc3C2=O)C1 ZINC000661378236 413935775 /nfs/dbraw/zinc/93/57/75/413935775.db2.gz AYGRHICODSKLCE-AWEZNQCLSA-N 0 3 298.386 2.571 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)NC(C)(C)CC)C1 ZINC000661377753 413939062 /nfs/dbraw/zinc/93/90/62/413939062.db2.gz TUWJPNGSUAWQMB-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000661379139 413939443 /nfs/dbraw/zinc/93/94/43/413939443.db2.gz UOXCAHUOJFRXKB-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000661384446 413943556 /nfs/dbraw/zinc/94/35/56/413943556.db2.gz IZBHQOQMUOUZBG-LVQVYYBASA-N 0 3 276.424 2.722 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000661383840 413945416 /nfs/dbraw/zinc/94/54/16/413945416.db2.gz FLAKHZCCLHUDEV-ZIAGYGMSSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000661416758 413965136 /nfs/dbraw/zinc/96/51/36/413965136.db2.gz DDDBUXPQSMQZQQ-GOEBONIOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000664875226 413988151 /nfs/dbraw/zinc/98/81/51/413988151.db2.gz XVEDLQOCYGHBLW-STQMWFEESA-N 0 3 279.384 2.584 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cncc(Br)c1 ZINC000657972468 414082217 /nfs/dbraw/zinc/08/22/17/414082217.db2.gz QNIPZMSVQBVIBF-JTQLQIEISA-N 0 3 285.185 2.697 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CCF)C1 ZINC000661695668 414137196 /nfs/dbraw/zinc/13/71/96/414137196.db2.gz HEWXFBHANGBSHS-GJZGRUSLSA-N 0 3 282.403 2.647 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(CC=C)nn1 ZINC000658036680 414121639 /nfs/dbraw/zinc/12/16/39/414121639.db2.gz ASQSIDMTORBTQA-DZGCQCFKSA-N 0 3 260.385 2.689 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655271374 414163087 /nfs/dbraw/zinc/16/30/87/414163087.db2.gz FLMRHPRPLICJCN-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(CC(=O)NCc1ccccc1OC)C(C)(C)C ZINC000661755828 414193680 /nfs/dbraw/zinc/19/36/80/414193680.db2.gz RKJHFVBEBOOHFZ-UHFFFAOYSA-N 0 3 290.407 2.598 20 30 CFEDHN C=CCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)(C)C ZINC000661755215 414195095 /nfs/dbraw/zinc/19/50/95/414195095.db2.gz JHZDOLYMHOYEEZ-ZIAGYGMSSA-N 0 3 266.429 2.777 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000665286324 414259343 /nfs/dbraw/zinc/25/93/43/414259343.db2.gz JFCXSYARHPPIEM-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000655434597 414272144 /nfs/dbraw/zinc/27/21/44/414272144.db2.gz QLGSMFRNMIXSDJ-OAHLLOKOSA-N 0 3 299.374 2.555 20 30 CFEDHN C=CCOCCCN[C@H](C)c1ccc(Cl)cn1 ZINC000658204691 414277583 /nfs/dbraw/zinc/27/75/83/414277583.db2.gz AFHREDFCASKNGT-LLVKDONJSA-N 0 3 254.761 2.978 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)CN(C)C ZINC000665385575 414314933 /nfs/dbraw/zinc/31/49/33/414314933.db2.gz GKNJPLNOTDSPEV-KGLIPLIRSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCOCCNC1(c2cccc(OC)c2)CCC1 ZINC000662110144 414411813 /nfs/dbraw/zinc/41/18/13/414411813.db2.gz DLNBUFTUORQIGM-UHFFFAOYSA-N 0 3 261.365 2.867 20 30 CFEDHN C=CCNC(=O)CN1CCCC[C@@H]1CCCCC ZINC000662156480 414435669 /nfs/dbraw/zinc/43/56/69/414435669.db2.gz RFBZPPOKNGHNMD-AWEZNQCLSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCC[C@H](C)N[C@@H](CO)c1ccc(F)cc1F ZINC000662164436 414440190 /nfs/dbraw/zinc/44/01/90/414440190.db2.gz DEZFEYNMRUFUKL-HZMBPMFUSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C(C)C)C(C)C ZINC000662077577 414398128 /nfs/dbraw/zinc/39/81/28/414398128.db2.gz CIMQDHMKWZBRFS-GASCZTMLSA-N 0 3 264.413 2.815 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(CC)CC ZINC000662078810 414398218 /nfs/dbraw/zinc/39/82/18/414398218.db2.gz HBRJXZLOVMDZNU-AEGPPILISA-N 0 3 264.413 2.863 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H]1CC1(C)C ZINC000662348031 414518146 /nfs/dbraw/zinc/51/81/46/414518146.db2.gz POFVZYWAYUGIEY-KBPBESRZSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)c1cccc2c1CCNC2 ZINC000662530020 414559624 /nfs/dbraw/zinc/55/96/24/414559624.db2.gz KNXQHPHWPQHOKB-UHFFFAOYSA-N 0 3 298.308 2.523 20 30 CFEDHN C=CCCCCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662582950 414567792 /nfs/dbraw/zinc/56/77/92/414567792.db2.gz BYRBFYRYNSOAGU-UHFFFAOYSA-N 0 3 278.421 2.870 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000286341010 196572997 /nfs/dbraw/zinc/57/29/97/196572997.db2.gz LZEIOODASFTFIN-GUYCJALGSA-N 0 3 297.402 2.824 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000286341003 196573217 /nfs/dbraw/zinc/57/32/17/196573217.db2.gz LZEIOODASFTFIN-DYVFJYSZSA-N 0 3 297.402 2.824 20 30 CFEDHN C=CCN(CCCC(=O)OCC)Cc1cccc(C#N)c1 ZINC000072082262 176313181 /nfs/dbraw/zinc/31/31/81/176313181.db2.gz UTGXOBQKCFFFFO-UHFFFAOYSA-N 0 3 286.375 2.890 20 30 CFEDHN COCCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000353855465 225136660 /nfs/dbraw/zinc/13/66/60/225136660.db2.gz NGFZZRASONWJQI-HOTGVXAUSA-N 0 3 288.391 2.884 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000334739427 225296610 /nfs/dbraw/zinc/29/66/10/225296610.db2.gz TXEODHLMHSUDEB-RISCZKNCSA-N 0 3 257.312 2.869 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cnn3ccccc23)C1 ZINC000334740690 225297835 /nfs/dbraw/zinc/29/78/35/225297835.db2.gz PQWSHIKTUXWWGS-JSGCOSHPSA-N 0 3 254.337 2.506 20 30 CFEDHN Cc1ccccc1C1CCN(C(=O)C(C)C#N)CC1 ZINC000334674863 225244586 /nfs/dbraw/zinc/24/45/86/225244586.db2.gz APPTWDXNSOITAV-ZDUSSCGKSA-N 0 3 256.349 2.861 20 30 CFEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OC(C)C ZINC000347082118 226042321 /nfs/dbraw/zinc/04/23/21/226042321.db2.gz YARDLPNOAQUNGB-NWDGAFQWSA-N 0 3 290.363 2.819 20 30 CFEDHN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)C(C)C#N)C2)c1 ZINC000335697945 226554569 /nfs/dbraw/zinc/55/45/69/226554569.db2.gz WUVMXANEKZUNEQ-IAQYHMDHSA-N 0 3 278.302 2.691 20 30 CFEDHN Cc1cnn(CCCCCN2CCC(F)(C#N)CC2)c1 ZINC000352492231 227000535 /nfs/dbraw/zinc/00/05/35/227000535.db2.gz XBDALXPEERXHAA-UHFFFAOYSA-N 0 3 278.375 2.690 20 30 CFEDHN CN(C(=O)c1ccc(CN2CCCC2)cc1)C1(C#N)CCC1 ZINC000354880142 227196916 /nfs/dbraw/zinc/19/69/16/227196916.db2.gz CFOMMTNRJRSLCF-UHFFFAOYSA-N 0 3 297.402 2.801 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330189563 228060967 /nfs/dbraw/zinc/06/09/67/228060967.db2.gz LWNMCUBXTKKDFB-MCIONIFRSA-N 0 3 290.411 2.528 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)NCC1CCCCC1 ZINC000330222992 228070728 /nfs/dbraw/zinc/07/07/28/228070728.db2.gz AAZLCZWPSIIALE-OUCADQQQSA-N 0 3 268.401 2.679 20 30 CFEDHN O=C(CN1CC[C@@H](O)C12CCCC2)NCC1CCCCC1 ZINC000330331481 228154081 /nfs/dbraw/zinc/15/40/81/228154081.db2.gz OBSCZLOVYRXXRX-OAHLLOKOSA-N 0 3 294.439 2.903 20 30 CFEDHN COc1cccc(C2(N[C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000353841019 228157652 /nfs/dbraw/zinc/15/76/52/228157652.db2.gz CZHGETVSDRZQMW-JSGCOSHPSA-N 0 3 256.349 2.966 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000335976213 228172658 /nfs/dbraw/zinc/17/26/58/228172658.db2.gz ZSRYJJCTPUFRDC-GFCCVEGCSA-N 0 3 274.339 2.766 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(c2)COC3)C1 ZINC000336231989 228218579 /nfs/dbraw/zinc/21/85/79/228218579.db2.gz SQHROCDSIULNTJ-LRDDRELGSA-N 0 3 256.349 2.889 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1nccs1 ZINC001085372235 782027573 /nfs/dbraw/zinc/02/75/73/782027573.db2.gz DWKLRDIQQPAQRA-GHMZBOCLSA-N 0 3 299.827 2.526 20 30 CFEDHN C=CCN(CCO[C@H]1CC1(F)F)CCc1ccco1 ZINC000660225045 420502346 /nfs/dbraw/zinc/50/23/46/420502346.db2.gz LZOJBISSDXESJF-ZDUSSCGKSA-N 0 3 271.307 2.734 20 30 CFEDHN C=CCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187167438 260028502 /nfs/dbraw/zinc/02/85/02/260028502.db2.gz JDYQVZCUQLVBKX-CZUORRHYSA-N 0 3 260.381 2.760 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC1CC1)C(C)C ZINC000298395811 260153385 /nfs/dbraw/zinc/15/33/85/260153385.db2.gz FWKHNZXYBFRCQB-HNNXBMFYSA-N 0 3 264.413 2.601 20 30 CFEDHN CC(=O)Nc1cccc([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000088249650 260229949 /nfs/dbraw/zinc/22/99/49/260229949.db2.gz DXVRSIQLQHFVBL-GFCCVEGCSA-N 0 3 271.364 2.989 20 30 CFEDHN C=CCC1(C(=O)NC2CCN(C3CC3)CC2)CCCC1 ZINC000449200630 260294098 /nfs/dbraw/zinc/29/40/98/260294098.db2.gz CPHPMRXTXIRERU-UHFFFAOYSA-N 0 3 276.424 2.866 20 30 CFEDHN CN(CCCSCC#N)CCOc1ccc(F)cc1 ZINC000080625784 260317510 /nfs/dbraw/zinc/31/75/10/260317510.db2.gz AUJJBHKLCNIAMP-UHFFFAOYSA-N 0 3 282.384 2.783 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000151683114 260604984 /nfs/dbraw/zinc/60/49/84/260604984.db2.gz DTWACBNFPHSRMI-HIFRSBDPSA-N 0 3 260.381 2.726 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448257085 261067165 /nfs/dbraw/zinc/06/71/65/261067165.db2.gz SEWWEYKPTKLYJI-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](COC)C1CC1 ZINC000161533712 261087869 /nfs/dbraw/zinc/08/78/69/261087869.db2.gz NYCOEVYAMPVCPD-HNNXBMFYSA-N 0 3 261.365 2.766 20 30 CFEDHN C#CCN(Cc1cccc(C(=O)NC)c1)C1CCCCC1 ZINC000490648747 261177545 /nfs/dbraw/zinc/17/75/45/261177545.db2.gz CBAWPHGMVIZATI-UHFFFAOYSA-N 0 3 284.403 2.814 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000106264771 261322899 /nfs/dbraw/zinc/32/28/99/261322899.db2.gz RDNNHKIYJMYJCL-GDBMZVCRSA-N 0 3 293.455 2.905 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]2CCCC[C@H]21 ZINC000302751675 261355018 /nfs/dbraw/zinc/35/50/18/261355018.db2.gz LNFLZOBBLGMJRL-INMHGKMJSA-N 0 3 291.439 2.695 20 30 CFEDHN C#C[C@H](NC(=O)CN(C)C(C)C)c1ccc(Cl)cc1F ZINC000491182263 261363355 /nfs/dbraw/zinc/36/33/55/261363355.db2.gz ZJBVAMGKGDXKAE-AWEZNQCLSA-N 0 3 296.773 2.610 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000184090749 262008574 /nfs/dbraw/zinc/00/85/74/262008574.db2.gz UFVFMFNDMGKGEG-KRWDZBQOSA-N 0 3 296.418 2.805 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(c2)OCO3)C1 ZINC000185710111 262067924 /nfs/dbraw/zinc/06/79/24/262067924.db2.gz ADZSRDSRMZTUHL-AAEUAGOBSA-N 0 3 258.321 2.587 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000185711476 262067994 /nfs/dbraw/zinc/06/79/94/262067994.db2.gz ZKFBGZOWPBBOIW-GDBMZVCRSA-N 0 3 284.407 2.854 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)OCCO3)C1 ZINC000185758339 262069083 /nfs/dbraw/zinc/06/90/83/262069083.db2.gz VMHBYAKPBWQRNJ-TZMCWYRMSA-N 0 3 272.348 2.630 20 30 CFEDHN CCNC(=O)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185791303 262071863 /nfs/dbraw/zinc/07/18/63/262071863.db2.gz QUSQFWWCXFHSJL-XJKSGUPXSA-N 0 3 285.391 2.608 20 30 CFEDHN COCC1=CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000187621110 262142083 /nfs/dbraw/zinc/14/20/83/262142083.db2.gz YYTPFQNSQUDGPA-UHFFFAOYSA-N 0 3 299.418 2.815 20 30 CFEDHN CC(=O)Nc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192628738 262206828 /nfs/dbraw/zinc/20/68/28/262206828.db2.gz VLJSUYDOALAVHU-ZBFHGGJFSA-N 0 3 271.364 2.817 20 30 CFEDHN C#CCOc1ccccc1CNCCCOCC1CC1 ZINC000020191180 262233161 /nfs/dbraw/zinc/23/31/61/262233161.db2.gz QHFBCFBEJDWHHP-UHFFFAOYSA-N 0 3 273.376 2.605 20 30 CFEDHN CC#CCCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000364532934 262253608 /nfs/dbraw/zinc/25/36/08/262253608.db2.gz OWVLHEHLGCSXOA-HNNXBMFYSA-N 0 3 253.349 2.697 20 30 CFEDHN CC[C@H](C)[C@H](C)N(CC(=O)N(CC)C[C@@H](C)C#N)C1CC1 ZINC000111226985 262258351 /nfs/dbraw/zinc/25/83/51/262258351.db2.gz PWFRKVMKPDOKFJ-KKUMJFAQSA-N 0 3 293.455 2.894 20 30 CFEDHN C=CC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000111260345 262258911 /nfs/dbraw/zinc/25/89/11/262258911.db2.gz OIZBDRXXEXHXSP-KRWDZBQOSA-N 0 3 284.403 2.904 20 30 CFEDHN C=C(C)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000119098934 262271613 /nfs/dbraw/zinc/27/16/13/262271613.db2.gz BSKHZKVQHVWMIP-AWEZNQCLSA-N 0 3 289.423 2.991 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000184262544 262274877 /nfs/dbraw/zinc/27/48/77/262274877.db2.gz XCJNMUDOFQZLKI-LBPRGKRZSA-N 0 3 277.261 2.871 20 30 CFEDHN CC(C)NC(=O)OC[C@H]1CCCCN1CCCCC#N ZINC000495747539 262298883 /nfs/dbraw/zinc/29/88/83/262298883.db2.gz GQUMISDNMFWCGW-CQSZACIVSA-N 0 3 281.400 2.669 20 30 CFEDHN CC(C)[C@H](CCO)NCC#Cc1ccccc1Cl ZINC000161920778 262322280 /nfs/dbraw/zinc/32/22/80/262322280.db2.gz QLQODFAJNNKBQZ-HNNXBMFYSA-N 0 3 265.784 2.688 20 30 CFEDHN C=CCCOCCNCc1cc(Cl)cc2c1OCC2 ZINC000228560114 262342594 /nfs/dbraw/zinc/34/25/94/262342594.db2.gz LADFMGGJIBNNMT-UHFFFAOYSA-N 0 3 281.783 2.957 20 30 CFEDHN CCCCCCC[C@H](C)NCc1nnc2n1CCOC2 ZINC000365235009 262352770 /nfs/dbraw/zinc/35/27/70/262352770.db2.gz RGMYQTMDYQIIFR-ZDUSSCGKSA-N 0 3 280.416 2.647 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@H](CC)Cc2ccccc2)C1=O ZINC000337198275 262432398 /nfs/dbraw/zinc/43/23/98/262432398.db2.gz YBDXTGPJCFEPJQ-IAGOWNOFSA-N 0 3 286.419 2.726 20 30 CFEDHN COc1ccccc1[C@H]1CCCN1CCOCCC#N ZINC000338959098 262575520 /nfs/dbraw/zinc/57/55/20/262575520.db2.gz AJLKZLCSDOLXFI-OAHLLOKOSA-N 0 3 274.364 2.762 20 30 CFEDHN N#CCCOCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000339001112 262578480 /nfs/dbraw/zinc/57/84/80/262578480.db2.gz ZPWYMYUIOFFTBG-UHFFFAOYSA-N 0 3 292.354 2.599 20 30 CFEDHN CCCCOC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339009580 262581832 /nfs/dbraw/zinc/58/18/32/262581832.db2.gz LUGNNVWRSVCJGH-KGLIPLIRSA-N 0 3 250.386 2.960 20 30 CFEDHN CC#CCCNCc1cc(OC)c(OC)cc1SC ZINC000158298944 262847549 /nfs/dbraw/zinc/84/75/49/262847549.db2.gz XNUJCGVZWBDHSR-UHFFFAOYSA-N 0 3 279.405 2.929 20 30 CFEDHN Cc1nc2sccn2c1CN(C)CCCCC#N ZINC000268486374 262952839 /nfs/dbraw/zinc/95/28/39/262952839.db2.gz MSZIJUUSJFBZIX-UHFFFAOYSA-N 0 3 262.382 2.830 20 30 CFEDHN CSc1cc2c(cc1CNCCCC#N)OCCO2 ZINC000273034663 263011306 /nfs/dbraw/zinc/01/13/06/263011306.db2.gz GYGGWSBFWZAONJ-UHFFFAOYSA-N 0 3 278.377 2.573 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000437352194 263014689 /nfs/dbraw/zinc/01/46/89/263014689.db2.gz BZWPCMBUZUNJBH-VFWDIBGWSA-N 0 3 266.703 2.611 20 30 CFEDHN CCOc1ccc([C@H](C)NCCCC#N)cc1[N+](=O)[O-] ZINC000273267348 263014732 /nfs/dbraw/zinc/01/47/32/263014732.db2.gz OAHNIOXTHKWJMN-NSHDSACASA-N 0 3 277.324 2.948 20 30 CFEDHN CC1(C)OCc2cc(CNCCCC#N)ccc2O1 ZINC000274463131 263024677 /nfs/dbraw/zinc/02/46/77/263024677.db2.gz VKRXNOHMOVTCSG-UHFFFAOYSA-N 0 3 260.337 2.725 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274630024 263028390 /nfs/dbraw/zinc/02/83/90/263028390.db2.gz ONPXETBFBCUSKE-HUBLWGQQSA-N 0 3 283.375 2.548 20 30 CFEDHN Cc1cccc(OCCN(C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000278651212 263049419 /nfs/dbraw/zinc/04/94/19/263049419.db2.gz PVGLUXBKPLWVIQ-CABCVRRESA-N 0 3 258.365 2.998 20 30 CFEDHN CC(C)=CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278673388 263049601 /nfs/dbraw/zinc/04/96/01/263049601.db2.gz OJUHWBUVTGVBQK-UHFFFAOYSA-N 0 3 295.390 2.915 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000279354035 263054741 /nfs/dbraw/zinc/05/47/41/263054741.db2.gz QOLNDHUGFDOJPZ-IRXDYDNUSA-N 0 3 293.370 2.713 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279683506 263056687 /nfs/dbraw/zinc/05/66/87/263056687.db2.gz FBZMFGURNZQMDO-CKEIUWERSA-N 0 3 295.386 2.745 20 30 CFEDHN C=CCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279925630 263058199 /nfs/dbraw/zinc/05/81/99/263058199.db2.gz GDBDEBVHVKSGER-INIZCTEOSA-N 0 3 281.359 2.713 20 30 CFEDHN Cc1ccccc1-n1nccc1CNCCCC#N ZINC000280266806 263059983 /nfs/dbraw/zinc/05/99/83/263059983.db2.gz LPBPXZBEJGLVEQ-UHFFFAOYSA-N 0 3 254.337 2.574 20 30 CFEDHN N#CC1CCC(CNCc2cn3ccccc3n2)CC1 ZINC000282430932 263076548 /nfs/dbraw/zinc/07/65/48/263076548.db2.gz RGUZFYSZHUOQIQ-UHFFFAOYSA-N 0 3 268.364 2.754 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340160455 263081701 /nfs/dbraw/zinc/08/17/01/263081701.db2.gz CQSBBOUMCGPGKO-HUUCEWRRSA-N 0 3 299.418 2.745 20 30 CFEDHN CN1CCN([C@@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000284323163 263086434 /nfs/dbraw/zinc/08/64/34/263086434.db2.gz PVCZPLPFQQJVIW-DZGCQCFKSA-N 0 3 255.365 2.631 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000284428781 263086776 /nfs/dbraw/zinc/08/67/76/263086776.db2.gz RUMPTVJUMNYJSA-ZYHUDNBSSA-N 0 3 281.306 2.855 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccn(C2CCCC2)n1 ZINC000340211110 263094468 /nfs/dbraw/zinc/09/44/68/263094468.db2.gz ZQKMDGDVHYJKPP-UHFFFAOYSA-N 0 3 290.455 2.938 20 30 CFEDHN CCCCCCCN1CCc2c(ncn(CC)c2=O)C1 ZINC000286175576 263097577 /nfs/dbraw/zinc/09/75/77/263097577.db2.gz OXFFJQSTOJYOOC-UHFFFAOYSA-N 0 3 277.412 2.592 20 30 CFEDHN c1ccc(CN2CCCO[C@H](CON=C3CCC3)C2)cc1 ZINC000289454968 263110357 /nfs/dbraw/zinc/11/03/57/263110357.db2.gz VGCFMTNQVNCATJ-KRWDZBQOSA-N 0 3 288.391 2.834 20 30 CFEDHN CN(Cc1ccccc1)[C@H](CNC(=O)CCCC#N)C1CC1 ZINC000291602301 263124099 /nfs/dbraw/zinc/12/40/99/263124099.db2.gz CCCIBKVWPCLXOG-QGZVFWFLSA-N 0 3 299.418 2.707 20 30 CFEDHN CN(C(=O)CCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000292185273 263129300 /nfs/dbraw/zinc/12/93/00/263129300.db2.gz QNDUKPZEKWAHFV-KRWDZBQOSA-N 0 3 299.418 2.803 20 30 CFEDHN N#CCCCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000292245961 263130067 /nfs/dbraw/zinc/13/00/67/263130067.db2.gz GSRJTONNXYOPPX-QGZVFWFLSA-N 0 3 299.418 2.851 20 30 CFEDHN CC1(C)C[C@]1(C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000292486098 263132862 /nfs/dbraw/zinc/13/28/62/263132862.db2.gz NWGBYBCXLRUHNI-GOSISDBHSA-N 0 3 297.402 2.704 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCCO1 ZINC000292898173 263136315 /nfs/dbraw/zinc/13/63/15/263136315.db2.gz AFTLUKFOBCIBTK-KRWDZBQOSA-N 0 3 288.391 2.836 20 30 CFEDHN N#CCCOCCN(Cc1ccc(F)cc1)CC1CC1 ZINC000292978474 263136885 /nfs/dbraw/zinc/13/68/85/263136885.db2.gz FCGXJUCLWMGJPP-UHFFFAOYSA-N 0 3 276.355 2.968 20 30 CFEDHN C[C@@]1(c2ccccc2)CCCN(CCOCCC#N)C1 ZINC000293074089 263137687 /nfs/dbraw/zinc/13/76/87/263137687.db2.gz LZHDCDAFZZCQJY-QGZVFWFLSA-N 0 3 272.392 2.970 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCN(CCc3cccs3)CC2)C1 ZINC000293459173 263140804 /nfs/dbraw/zinc/14/08/04/263140804.db2.gz LBDZGDGVCRBUBO-CABCVRRESA-N 0 3 289.448 2.600 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)Cc2ccccc2O1 ZINC000293509743 263142314 /nfs/dbraw/zinc/14/23/14/263142314.db2.gz HYWYTYSDLKVOFR-NFAWXSAZSA-N 0 3 256.349 2.962 20 30 CFEDHN C[C@H](NCCOCCC#N)c1ccccc1OC(F)F ZINC000293806939 263150116 /nfs/dbraw/zinc/15/01/16/263150116.db2.gz NVQRRJYEDYTSFK-NSHDSACASA-N 0 3 284.306 2.869 20 30 CFEDHN C=C(C)CN(CCOCCC#N)Cc1ccccc1 ZINC000294077065 263155749 /nfs/dbraw/zinc/15/57/49/263155749.db2.gz LBXOATSIDNTOJH-UHFFFAOYSA-N 0 3 258.365 2.995 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]1C1CC1 ZINC000452996766 263174415 /nfs/dbraw/zinc/17/44/15/263174415.db2.gz UHQMBGMRCIDOQC-HZPDHXFCSA-N 0 3 268.360 2.770 20 30 CFEDHN C[C@]1(F)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000295413835 263177227 /nfs/dbraw/zinc/17/72/27/263177227.db2.gz CEKQQXIFKFIXNI-WBVHZDCISA-N 0 3 299.349 2.591 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCc2cc(Br)cc(C)c21 ZINC000353577344 263184175 /nfs/dbraw/zinc/18/41/75/263184175.db2.gz PNGIYWLOLQHPBD-STQMWFEESA-N 0 3 296.208 2.881 20 30 CFEDHN CCCN(Cc1ccccc1)[C@H](C)C(=O)N(C)CCC#N ZINC000296696519 263195340 /nfs/dbraw/zinc/19/53/40/263195340.db2.gz CDLNPTLSJJMGGB-OAHLLOKOSA-N 0 3 287.407 2.659 20 30 CFEDHN N#CCCCNCc1ccc(OC(F)(F)F)cc1 ZINC000298078464 263214920 /nfs/dbraw/zinc/21/49/20/263214920.db2.gz DIFJEHHHOYAWID-UHFFFAOYSA-N 0 3 258.243 2.979 20 30 CFEDHN COc1cc2nccc(NCCCC#N)c2cc1OC ZINC000298499054 263220713 /nfs/dbraw/zinc/22/07/13/263220713.db2.gz ARXBYFWYIVRTIV-UHFFFAOYSA-N 0 3 271.320 2.968 20 30 CFEDHN Cc1ccccc1CN1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000298986027 263228696 /nfs/dbraw/zinc/22/86/96/263228696.db2.gz QFUKROROSMOJNL-UHFFFAOYSA-N 0 3 299.418 2.625 20 30 CFEDHN C=CCCN[C@H](CCSC)c1nnc2ccccn21 ZINC000119937407 263278633 /nfs/dbraw/zinc/27/86/33/263278633.db2.gz BSTJIEIAMWEVLT-GFCCVEGCSA-N 0 3 276.409 2.689 20 30 CFEDHN C#CCCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000119853996 263279366 /nfs/dbraw/zinc/27/93/66/263279366.db2.gz GYONSCWDHIPCSX-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN C=C(CC)CN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000341142549 263324451 /nfs/dbraw/zinc/32/44/51/263324451.db2.gz GYKXLRLIFHWVMI-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CC1CCN(Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000341181921 263325942 /nfs/dbraw/zinc/32/59/42/263325942.db2.gz LPDZHRGLLWSHOR-UHFFFAOYSA-N 0 3 289.375 2.636 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc2ccccc2n1CCC ZINC000341276952 263329936 /nfs/dbraw/zinc/32/99/36/263329936.db2.gz QOPINPQPLSTWGW-CQSZACIVSA-N 0 3 287.407 2.721 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc2ccc(Cl)cc2n1C ZINC000341302048 263332916 /nfs/dbraw/zinc/33/29/16/263332916.db2.gz MCXMFWUYLGEERP-NSHDSACASA-N 0 3 293.798 2.501 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341648690 263345698 /nfs/dbraw/zinc/34/56/98/263345698.db2.gz JDPHUQXCCLXAOR-LZWOXQAQSA-N 0 3 287.407 2.523 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000341790226 263351654 /nfs/dbraw/zinc/35/16/54/263351654.db2.gz NIQCUYLLLXCKQS-ZDUSSCGKSA-N 0 3 296.436 2.554 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(F)cc1F ZINC000341886202 263363186 /nfs/dbraw/zinc/36/31/86/263363186.db2.gz XHAQKLNHAYKLPS-MNOVXSKESA-N 0 3 255.308 2.800 20 30 CFEDHN C=CCC[C@H](NCCc1cnn(C)c1)c1ccco1 ZINC000353674810 263376992 /nfs/dbraw/zinc/37/69/92/263376992.db2.gz XTROSYYVFGSAHQ-AWEZNQCLSA-N 0 3 259.353 2.853 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000342485453 263441517 /nfs/dbraw/zinc/44/15/17/263441517.db2.gz VHPHXMKFHQIEPU-BFHYXJOUSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC000342788687 263485325 /nfs/dbraw/zinc/48/53/25/263485325.db2.gz PIRBBLZILDGFSG-CYBMUJFWSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415951600 263656325 /nfs/dbraw/zinc/65/63/25/263656325.db2.gz GDYKUCKILZFEHQ-UHFFFAOYSA-N 0 3 291.370 2.901 20 30 CFEDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000328646996 263831953 /nfs/dbraw/zinc/83/19/53/263831953.db2.gz HDAKJQBCKCPVQK-UWVGGRQHSA-N 0 3 279.409 2.998 20 30 CFEDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccn1 ZINC000331007236 264106639 /nfs/dbraw/zinc/10/66/39/264106639.db2.gz SZPVHOUCAXMRDJ-GXTWGEPZSA-N 0 3 291.395 2.656 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1C ZINC000331068965 264112735 /nfs/dbraw/zinc/11/27/35/264112735.db2.gz AYMSIXINEVDQSN-OUCADQQQSA-N 0 3 292.427 2.950 20 30 CFEDHN CNC(=O)c1cccc(CN2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000331310414 264186583 /nfs/dbraw/zinc/18/65/83/264186583.db2.gz GOFZCGJQXQUAHR-XJKSGUPXSA-N 0 3 290.407 2.746 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000424866553 264240291 /nfs/dbraw/zinc/24/02/91/264240291.db2.gz OUJWUKGTMSBYON-CYBMUJFWSA-N 0 3 252.402 2.530 20 30 CFEDHN CC[C@]1(CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000189650913 264317608 /nfs/dbraw/zinc/31/76/08/264317608.db2.gz XCZDMFSKVMZHGM-MRXNPFEDSA-N 0 3 277.795 2.928 20 30 CFEDHN C=C(C)CN(C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425459435 264330675 /nfs/dbraw/zinc/33/06/75/264330675.db2.gz PDDPYVYXNQRUTE-HNNXBMFYSA-N 0 3 261.365 2.841 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000076734372 264344086 /nfs/dbraw/zinc/34/40/86/264344086.db2.gz PRSRZCXQJKZDTC-CYBMUJFWSA-N 0 3 292.448 2.919 20 30 CFEDHN CC(C)C[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000130355113 264349726 /nfs/dbraw/zinc/34/97/26/264349726.db2.gz FKDMDTJNJATNQN-ZBFHGGJFSA-N 0 3 279.428 2.551 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@](C)(F)C2)CC1 ZINC000334508142 264381384 /nfs/dbraw/zinc/38/13/84/264381384.db2.gz UUTXTXLZHOOKHM-MRXNPFEDSA-N 0 3 297.418 2.561 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000442783230 264973093 /nfs/dbraw/zinc/97/30/93/264973093.db2.gz PQVRLQQVNIEWLZ-UKRRQHHQSA-N 0 3 271.364 2.652 20 30 CFEDHN C=CCOCCN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000293978147 264992482 /nfs/dbraw/zinc/99/24/82/264992482.db2.gz DNWJLWOMNZVLON-CABCVRRESA-N 0 3 281.783 2.962 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000320782751 265035204 /nfs/dbraw/zinc/03/52/04/265035204.db2.gz RPEKXBOPMDDHMX-AAEUAGOBSA-N 0 3 264.325 2.573 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000345754183 265096748 /nfs/dbraw/zinc/09/67/48/265096748.db2.gz CVDOWNLGQBRTKO-DGCLKSJQSA-N 0 3 282.347 2.804 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281120740 265632272 /nfs/dbraw/zinc/63/22/72/265632272.db2.gz BHGFYBPHJJFKIE-JKSUJKDBSA-N 0 3 281.359 2.711 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2cc(C)ccn2)CC1 ZINC000353504136 266039464 /nfs/dbraw/zinc/03/94/64/266039464.db2.gz QDTFOAUNVWOMQT-CQSZACIVSA-N 0 3 259.397 2.691 20 30 CFEDHN CCC[C@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000187455139 266075641 /nfs/dbraw/zinc/07/56/41/266075641.db2.gz NGNQHZHUBQEGQB-AWEZNQCLSA-N 0 3 257.381 2.869 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000356454045 266116846 /nfs/dbraw/zinc/11/68/46/266116846.db2.gz KOZXJHUHXLRWRF-UHFFFAOYSA-N 0 3 291.439 2.699 20 30 CFEDHN C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000356742729 266167503 /nfs/dbraw/zinc/16/75/03/266167503.db2.gz TVNPCECLCWBQAY-CZUORRHYSA-N 0 3 299.418 2.700 20 30 CFEDHN CC[C@@H]1C[C@@H](CN(C[C@@H](C)C#N)C2CC2)CCO1 ZINC000356976242 266222891 /nfs/dbraw/zinc/22/28/91/266222891.db2.gz CJJUXOTVGGGDHC-KCQAQPDRSA-N 0 3 250.386 2.816 20 30 CFEDHN CC(C#N)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000357810811 266369531 /nfs/dbraw/zinc/36/95/31/266369531.db2.gz XQYYFXITHOCIIP-GFCCVEGCSA-N 0 3 274.364 2.639 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1(C#N)CCC1)N(C)C ZINC000357880202 266381745 /nfs/dbraw/zinc/38/17/45/266381745.db2.gz WERBUDUKAHJJGV-GOEBONIOSA-N 0 3 299.418 2.796 20 30 CFEDHN C=CC[C@@H]1N(C(=O)N[C@H](C)CN(C)C)CCCC1(C)C ZINC000358524752 266473709 /nfs/dbraw/zinc/47/37/09/266473709.db2.gz NJWAMOXPCJCDJB-KGLIPLIRSA-N 0 3 281.444 2.713 20 30 CFEDHN CNC(=O)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000360922937 266755568 /nfs/dbraw/zinc/75/55/68/266755568.db2.gz ZNMISPSWNSKELK-BMFZPTHFSA-N 0 3 285.391 2.536 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000362655025 267030754 /nfs/dbraw/zinc/03/07/54/267030754.db2.gz HTGUBMKMLHLLDN-XJKSGUPXSA-N 0 3 289.423 2.725 20 30 CFEDHN CCCCCCCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363124983 267075491 /nfs/dbraw/zinc/07/54/91/267075491.db2.gz GBBCTTQTHKXBEU-HZPDHXFCSA-N 0 3 296.455 2.716 20 30 CFEDHN C#CCCOc1ccc(CN2CCOCC[C@@H]2C)cc1 ZINC000367706076 267110472 /nfs/dbraw/zinc/11/04/72/267110472.db2.gz NHENXCGMOHMLJN-HNNXBMFYSA-N 0 3 273.376 2.700 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000399673737 267137890 /nfs/dbraw/zinc/13/78/90/267137890.db2.gz OYSAOQOJBVRCCB-ZOBORPQBSA-N 0 3 285.391 2.862 20 30 CFEDHN CC#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000368485081 267176398 /nfs/dbraw/zinc/17/63/98/267176398.db2.gz DZSFXXJOTISTMF-CABCVRRESA-N 0 3 292.423 2.874 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000116958218 267194728 /nfs/dbraw/zinc/19/47/28/267194728.db2.gz LGGQZKYUOJMQLU-CABCVRRESA-N 0 3 289.423 2.771 20 30 CFEDHN C[C@H]1OCC[C@]12CN(CCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000369389177 267239370 /nfs/dbraw/zinc/23/93/70/267239370.db2.gz MHEUPUARVKLNDI-FMKPAKJESA-N 0 3 280.412 2.585 20 30 CFEDHN OC[C@H]1CCc2ccccc2[C@@H]1NCC#Cc1ccccc1 ZINC000370519246 267326295 /nfs/dbraw/zinc/32/62/95/267326295.db2.gz VRRVJPVZVPYUSX-UYAOXDASSA-N 0 3 291.394 2.924 20 30 CFEDHN C#CCCN1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000370685236 267339101 /nfs/dbraw/zinc/33/91/01/267339101.db2.gz YUXBGJBOKOATDL-QGZVFWFLSA-N 0 3 292.423 2.733 20 30 CFEDHN Cc1ccc(C[C@H](CO)NCc2ccc(C#N)s2)cc1 ZINC000188966685 267417220 /nfs/dbraw/zinc/41/72/20/267417220.db2.gz AOXYNWNCFIFASQ-CQSZACIVSA-N 0 3 286.400 2.621 20 30 CFEDHN COCCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000528572382 267439713 /nfs/dbraw/zinc/43/97/13/267439713.db2.gz FNTQCCOSPNIZGW-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000371707701 267450685 /nfs/dbraw/zinc/45/06/85/267450685.db2.gz CZLIXUWRRQQDLB-GOEBONIOSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000305784331 267997448 /nfs/dbraw/zinc/99/74/48/267997448.db2.gz WWLSCGPUEODYTJ-AAEUAGOBSA-N 0 3 267.344 2.812 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000305815597 268001384 /nfs/dbraw/zinc/00/13/84/268001384.db2.gz OIEHBOVTZTYQBI-FUHWJXTLSA-N 0 3 289.419 2.949 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000305815601 268001430 /nfs/dbraw/zinc/00/14/30/268001430.db2.gz OIEHBOVTZTYQBI-WMZOPIPTSA-N 0 3 289.419 2.949 20 30 CFEDHN C=CCC1(C(=O)N2CCCN(CCC)CC2)CCC1 ZINC000376629414 268003600 /nfs/dbraw/zinc/00/36/00/268003600.db2.gz WENOIZVRSMUVOG-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000123304704 268035131 /nfs/dbraw/zinc/03/51/31/268035131.db2.gz YRGVGEWRNMYNRG-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN N#Cc1ccc(CNCCOCC2CCCC2)cc1 ZINC000313280474 268074248 /nfs/dbraw/zinc/07/42/48/268074248.db2.gz IXPLKLAQDAHIAH-UHFFFAOYSA-N 0 3 258.365 2.855 20 30 CFEDHN N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1 ZINC000529719018 268200772 /nfs/dbraw/zinc/20/07/72/268200772.db2.gz OWQLDVAMXPEECO-QGZVFWFLSA-N 0 3 297.402 2.695 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN2C2CCCC2)cc1F ZINC000527811924 268233341 /nfs/dbraw/zinc/23/33/41/268233341.db2.gz SNTYEHDUPRRCIG-MRXNPFEDSA-N 0 3 287.382 2.804 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC[C@@H]2C2CC2)C(N)=O)cc1 ZINC000516917100 268263719 /nfs/dbraw/zinc/26/37/19/268263719.db2.gz RCMXZBZJINIOQB-BBWFWOEESA-N 0 3 297.402 2.501 20 30 CFEDHN N#Cc1ncccc1NC[C@H]1CCN1C1CCCCC1 ZINC000528119917 268323823 /nfs/dbraw/zinc/32/38/23/268323823.db2.gz YBSZLZRHLOODNJ-CQSZACIVSA-N 0 3 270.380 2.772 20 30 CFEDHN C=C(C)CCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000274798493 273483136 /nfs/dbraw/zinc/48/31/36/273483136.db2.gz UHKILYLJSLBGRY-UHFFFAOYSA-N 0 3 285.391 2.933 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H](C)O ZINC000449542509 273722524 /nfs/dbraw/zinc/72/25/24/273722524.db2.gz MNTOBRRVEYWVLX-TVQRCGJNSA-N 0 3 286.297 2.826 20 30 CFEDHN CS[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1N(C)C ZINC000340756568 274182510 /nfs/dbraw/zinc/18/25/10/274182510.db2.gz VUUPRRXRIWSFOJ-ZIAGYGMSSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@@H](N(C)Cc1ccc(C#N)cc1OC(F)F)C(C)(C)O ZINC000451362446 274234237 /nfs/dbraw/zinc/23/42/37/274234237.db2.gz PMCPLWWPFWIWPV-SNVBAGLBSA-N 0 3 298.333 2.751 20 30 CFEDHN N#Cc1cc2c(nc1NC1CCN(C3CC3)CC1)CCCC2 ZINC000297389355 274921515 /nfs/dbraw/zinc/92/15/15/274921515.db2.gz LQWNNVMTHVRCNC-UHFFFAOYSA-N 0 3 296.418 2.871 20 30 CFEDHN OCC[C@H]1CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000286022950 275048018 /nfs/dbraw/zinc/04/80/18/275048018.db2.gz HMPMTANQGOMMGI-GDBMZVCRSA-N 0 3 277.795 2.832 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296418104 275419497 /nfs/dbraw/zinc/41/94/97/275419497.db2.gz LGGRXWZQYDIWCW-CPUCHLNUSA-N 0 3 273.376 2.950 20 30 CFEDHN C=CC[C@@H]1N(C(=O)/C=C/CN(C)C)CCCC1(C)C ZINC000278170332 275748445 /nfs/dbraw/zinc/74/84/45/275748445.db2.gz QAUWEXYVXKXZBA-RNVIBTMRSA-N 0 3 264.413 2.698 20 30 CFEDHN CC(C)c1cccc2c1CCN(C(=O)C(C)C#N)C2 ZINC000335370009 276059864 /nfs/dbraw/zinc/05/98/64/276059864.db2.gz XJQDRQLXEJXPQP-LBPRGKRZSA-N 0 3 256.349 2.854 20 30 CFEDHN CCN1CCN(CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000286433249 276193377 /nfs/dbraw/zinc/19/33/77/276193377.db2.gz IZKVCZQDMDNBIL-AWEZNQCLSA-N 0 3 276.811 2.718 20 30 CFEDHN C#CCCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000277107782 276777366 /nfs/dbraw/zinc/77/73/66/276777366.db2.gz UUFYGCKMEWLUEQ-KBPBESRZSA-N 0 3 267.731 2.922 20 30 CFEDHN C#CC[C@@H](NC(=O)[C@@H](CC)N(CC)CC)c1ccccc1 ZINC000274063367 276790307 /nfs/dbraw/zinc/79/03/07/276790307.db2.gz MCZKHFKWJGTNBM-IAGOWNOFSA-N 0 3 286.419 2.988 20 30 CFEDHN CN1CCC[C@H]2CN(c3nc(Cl)c(C#N)s3)CC[C@@H]21 ZINC000286117613 277085090 /nfs/dbraw/zinc/08/50/90/277085090.db2.gz GMJZMFKSCIMZEU-UWVGGRQHSA-N 0 3 296.827 2.589 20 30 CFEDHN CN1CC[C@@H](Nc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000270284695 277138878 /nfs/dbraw/zinc/13/88/78/277138878.db2.gz MYEGORISFKNCMK-NVXWUHKLSA-N 0 3 278.359 2.811 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2c2nc(Cl)c(C#N)s2)C1 ZINC000278763162 277181975 /nfs/dbraw/zinc/18/19/75/277181975.db2.gz UBDNPZYFCKJMOT-UWVGGRQHSA-N 0 3 296.827 2.589 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)[C@@H](CC)N(CC)CC ZINC000343523993 277830613 /nfs/dbraw/zinc/83/06/13/277830613.db2.gz MAFPFOSKIKUHHU-UONOGXRCSA-N 0 3 254.418 2.968 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000334689316 278132550 /nfs/dbraw/zinc/13/25/50/278132550.db2.gz WXRIWLHTTUXBLM-LDYMZIIASA-N 0 3 264.325 2.638 20 30 CFEDHN C[C@@H](Cn1cccn1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000341799852 278301220 /nfs/dbraw/zinc/30/12/20/278301220.db2.gz CWEXMLHAPQZPAE-GUYCJALGSA-N 0 3 280.375 2.810 20 30 CFEDHN C[C@@]1(NCC#Cc2ccc(F)cc2)CCO[C@H]1C1CC1 ZINC000273027557 279171676 /nfs/dbraw/zinc/17/16/76/279171676.db2.gz FRFWTUGNEQIYML-DLBZAZTESA-N 0 3 273.351 2.724 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCNc1ccccn1)CC2 ZINC000353278319 279531050 /nfs/dbraw/zinc/53/10/50/279531050.db2.gz WQQRMLASFRXHHU-MRXNPFEDSA-N 0 3 278.359 2.642 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC000286417276 279952976 /nfs/dbraw/zinc/95/29/76/279952976.db2.gz QTCKJXKDCYDKOD-WCQYABFASA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)[C@@H](C)CN1C ZINC000443515754 288257981 /nfs/dbraw/zinc/25/79/81/288257981.db2.gz DHHLQNUCZNRTMJ-MNOVXSKESA-N 0 3 263.772 2.740 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2cc(C#N)cs2)c1 ZINC000189008411 280867511 /nfs/dbraw/zinc/86/75/11/280867511.db2.gz ZFNGXTNVMSUDQS-HNNXBMFYSA-N 0 3 286.400 2.621 20 30 CFEDHN CC[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447580632 280970162 /nfs/dbraw/zinc/97/01/62/280970162.db2.gz PNQKGYVIOOSUSV-STQMWFEESA-N 0 3 286.297 2.912 20 30 CFEDHN C[C@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540706695 281589103 /nfs/dbraw/zinc/58/91/03/281589103.db2.gz XLNPYHSMDGMCTF-WFASDCNBSA-N 0 3 292.354 2.544 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)N(C)c1cccc(C#N)c1 ZINC000548446979 281785467 /nfs/dbraw/zinc/78/54/67/281785467.db2.gz PNTYQCAVKHGEIB-GFCCVEGCSA-N 0 3 273.380 2.688 20 30 CFEDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1cc(C#N)ncn1)N(C)C ZINC000557754033 281971657 /nfs/dbraw/zinc/97/16/57/281971657.db2.gz PJQZXJLBQKIUMC-CXAGYDPISA-N 0 3 295.390 2.760 20 30 CFEDHN C[C@H](O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000305638812 290008792 /nfs/dbraw/zinc/00/87/92/290008792.db2.gz JCNSIMNWZVPUQU-HEHGZKQESA-N 0 3 258.365 2.712 20 30 CFEDHN CC1CCC(O)(CNCc2ccc(C#N)c(F)c2)CC1 ZINC000404094693 290028569 /nfs/dbraw/zinc/02/85/69/290028569.db2.gz AFCOFJJHDCQFFA-UHFFFAOYSA-N 0 3 276.355 2.728 20 30 CFEDHN CCC[C@@H]1CCCC[C@@H]1NCc1ncc(C#N)cn1 ZINC000563616699 290163980 /nfs/dbraw/zinc/16/39/80/290163980.db2.gz BTALOAGZBJXIGW-KGLIPLIRSA-N 0 3 258.369 2.797 20 30 CFEDHN CC(C)N(Cc1cnc2c(C#N)cnn2c1)CC1CCC1 ZINC000563811124 290175942 /nfs/dbraw/zinc/17/59/42/290175942.db2.gz ROERBJWMYXTJLN-UHFFFAOYSA-N 0 3 283.379 2.611 20 30 CFEDHN CN1CC[C@H]2CCN(c3ccc(C#N)c(Cl)c3)[C@@H]2C1 ZINC000334236077 290233691 /nfs/dbraw/zinc/23/36/91/290233691.db2.gz KWLLQVRONUJMHY-XHDPSFHLSA-N 0 3 275.783 2.742 20 30 CFEDHN CC(C)[C@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564989578 290255237 /nfs/dbraw/zinc/25/52/37/290255237.db2.gz RQOCNEKJNKGGPU-OAHLLOKOSA-N 0 3 283.379 2.611 20 30 CFEDHN Cc1cc(CN[C@@H]2CCN(CC(F)(F)F)C2)ccc1C#N ZINC000565400996 290298914 /nfs/dbraw/zinc/29/89/14/290298914.db2.gz CZDABYCKEHQMRF-CQSZACIVSA-N 0 3 297.324 2.593 20 30 CFEDHN C[C@H]1CCCC[C@@H]1N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000566243241 290361244 /nfs/dbraw/zinc/36/12/44/290361244.db2.gz SDFNZWGOWUNWPH-WFASDCNBSA-N 0 3 283.379 2.611 20 30 CFEDHN C[C@H]1CCCC[C@H]1N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000566243240 290361642 /nfs/dbraw/zinc/36/16/42/290361642.db2.gz SDFNZWGOWUNWPH-SWLSCSKDSA-N 0 3 283.379 2.611 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000333103255 303160243 /nfs/dbraw/zinc/16/02/43/303160243.db2.gz QGPCLJVZUUYSKP-DMRZNYOFSA-N 0 3 271.364 2.584 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCOC1 ZINC000360658435 303201425 /nfs/dbraw/zinc/20/14/25/303201425.db2.gz SNGMLMNIZUCQRS-GDBMZVCRSA-N 0 3 256.349 2.704 20 30 CFEDHN Cc1cc(NCCC#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000563008778 327747705 /nfs/dbraw/zinc/74/77/05/327747705.db2.gz BGXBYLGQTJCWFW-UHFFFAOYSA-N 0 3 286.423 2.851 20 30 CFEDHN C=CC[C@H](C)N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000116907935 327872633 /nfs/dbraw/zinc/87/26/33/327872633.db2.gz WNIPRYZNWGODQF-WFASDCNBSA-N 0 3 258.365 2.561 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1C[C@H]1C)C(C)C ZINC000570975460 327967709 /nfs/dbraw/zinc/96/77/09/327967709.db2.gz FABFDFLPFSVFDE-OWCLPIDISA-N 0 3 278.440 2.847 20 30 CFEDHN CC1(C#N)CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000338287376 327975278 /nfs/dbraw/zinc/97/52/78/327975278.db2.gz ILEMWFNIVSDNLV-AWEZNQCLSA-N 0 3 266.385 2.545 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000531587390 328016651 /nfs/dbraw/zinc/01/66/51/328016651.db2.gz CXXAEBWATJSUKZ-PMPSAXMXSA-N 0 3 293.455 2.895 20 30 CFEDHN COCCO[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411405211 328087499 /nfs/dbraw/zinc/08/74/99/328087499.db2.gz CBXSVLMYPMYGFF-MRXNPFEDSA-N 0 3 294.439 2.978 20 30 CFEDHN N#CCC1(CN[C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000571282080 328097461 /nfs/dbraw/zinc/09/74/61/328097461.db2.gz IPOUTSBEWCNSRG-ZDUSSCGKSA-N 0 3 269.348 2.743 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H](C)CCC#N)C[C@H]1c1ccccc1 ZINC000411667216 328098269 /nfs/dbraw/zinc/09/82/69/328098269.db2.gz HGYCQQHSEXENPV-CWRNSKLLSA-N 0 3 286.375 2.567 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000412060951 328101640 /nfs/dbraw/zinc/10/16/40/328101640.db2.gz HHAHFSCRQNVICW-KRWDZBQOSA-N 0 3 286.375 2.528 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](C)N(C)C)CCCCC1 ZINC000412392464 328109586 /nfs/dbraw/zinc/10/95/86/328109586.db2.gz DCBMHMXMAVMDOF-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@@H](CC#N)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000264009345 328156801 /nfs/dbraw/zinc/15/68/01/328156801.db2.gz AGRIKLFGMIAJAB-AWEZNQCLSA-N 0 3 285.391 2.657 20 30 CFEDHN CC(C)[C@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264689492 328161626 /nfs/dbraw/zinc/16/16/26/328161626.db2.gz AJDGRAADMBIESZ-KRWDZBQOSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](O)CCN(C)Cc1ccccc1C(C)(C)C#N ZINC000268988354 328188385 /nfs/dbraw/zinc/18/83/85/328188385.db2.gz RDWDDNMFSNSOSG-ZDUSSCGKSA-N 0 3 260.381 2.690 20 30 CFEDHN CCOc1ccc(O)c(CN2CCC(C)(C#N)CC2)c1 ZINC000272507631 328200013 /nfs/dbraw/zinc/20/00/13/328200013.db2.gz IHDXSBOIALHIRK-UHFFFAOYSA-N 0 3 274.364 2.917 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000274168881 328208686 /nfs/dbraw/zinc/20/86/86/328208686.db2.gz AXAFQUBHPFHBFF-OCCSQVGLSA-N 0 3 274.364 2.876 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000284702217 328246617 /nfs/dbraw/zinc/24/66/17/328246617.db2.gz SQZZPJLOEVKVGD-DRPJVOAASA-N 0 3 271.364 2.584 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)CCCC#N)N2CCCC2)cc1 ZINC000292308731 328269560 /nfs/dbraw/zinc/26/95/60/328269560.db2.gz LRKRFCALFUBNEV-KRWDZBQOSA-N 0 3 299.418 2.942 20 30 CFEDHN COc1cc(CN(C)[C@H]2CC[C@H](C#N)C2)cc(OC)c1 ZINC000292942043 328274175 /nfs/dbraw/zinc/27/41/75/328274175.db2.gz BADJVCODOKNODM-JSGCOSHPSA-N 0 3 274.364 2.828 20 30 CFEDHN N#CCCOCCN(Cc1ccc(F)cc1)C1CC1 ZINC000292947567 328274206 /nfs/dbraw/zinc/27/42/06/328274206.db2.gz BIJSQOTYBXBCDD-UHFFFAOYSA-N 0 3 262.328 2.720 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001085539648 782093709 /nfs/dbraw/zinc/09/37/09/782093709.db2.gz BUCJIVMUIWSLPZ-CYBMUJFWSA-N 0 3 286.366 2.531 20 30 CFEDHN CC[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573853952 322671611 /nfs/dbraw/zinc/67/16/11/322671611.db2.gz PUOKXUAGLLDWIW-MNOVXSKESA-N 0 3 261.325 2.991 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)[C@@H]1COc2ccccc21 ZINC000575114097 322718502 /nfs/dbraw/zinc/71/85/02/322718502.db2.gz XCEFWDAMIZJJND-LRDDRELGSA-N 0 3 279.343 2.608 20 30 CFEDHN CC(C)(C#N)CCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305188184 328395888 /nfs/dbraw/zinc/39/58/88/328395888.db2.gz XRDNCNZSTJXTHF-LBPRGKRZSA-N 0 3 292.345 2.952 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415897265 328430190 /nfs/dbraw/zinc/43/01/90/328430190.db2.gz PIJXOYSTBYXHLK-CQSZACIVSA-N 0 3 273.380 2.809 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1ccccc1CNC ZINC000415910164 328431147 /nfs/dbraw/zinc/43/11/47/328431147.db2.gz HJRITDAATBHKAW-UHFFFAOYSA-N 0 3 261.369 2.836 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ncc2c(c1C#N)CCC2 ZINC000579944991 324992649 /nfs/dbraw/zinc/99/26/49/324992649.db2.gz YKHZKRSZCNSOSS-CYBMUJFWSA-N 0 3 284.407 2.728 20 30 CFEDHN CC1CCC(CN2CCN(c3cnccc3C#N)CC2)CC1 ZINC000580388894 325030524 /nfs/dbraw/zinc/03/05/24/325030524.db2.gz DKDTZORXHFAMGE-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(C#N)s1 ZINC000580572872 325048668 /nfs/dbraw/zinc/04/86/68/325048668.db2.gz CPIFCUQAGMXZSG-ZWNOBZJWSA-N 0 3 252.383 2.506 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCCN1CCCC1=O ZINC000580654326 325053575 /nfs/dbraw/zinc/05/35/75/325053575.db2.gz RWRIPVHCENRXSF-QGZVFWFLSA-N 0 3 297.402 2.538 20 30 CFEDHN CO[C@]1(C)C[C@@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000581377731 325115915 /nfs/dbraw/zinc/11/59/15/325115915.db2.gz NFHTXGUUZSLJKI-GDBMZVCRSA-N 0 3 273.380 2.589 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000583875329 325316484 /nfs/dbraw/zinc/31/64/84/325316484.db2.gz DSQGAVSFKLHZBA-NHYWBVRUSA-N 0 3 264.344 2.584 20 30 CFEDHN CC[C@H](C)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000087608691 330373714 /nfs/dbraw/zinc/37/37/14/330373714.db2.gz HTQZMWCLACFPGV-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186692503 326794704 /nfs/dbraw/zinc/79/47/04/326794704.db2.gz AJBXVNYPVCICMJ-DGCLKSJQSA-N 0 3 294.351 2.581 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000558518241 327101250 /nfs/dbraw/zinc/10/12/50/327101250.db2.gz DBZAWGYCZAOASC-HRCADAONSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)C1)C(C)C ZINC000410387575 327190773 /nfs/dbraw/zinc/19/07/73/327190773.db2.gz IOCQCLLDJCTKLB-JKSUJKDBSA-N 0 3 293.455 2.736 20 30 CFEDHN C[C@@H](C(=O)Nc1ccc(CC#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000101635115 327221153 /nfs/dbraw/zinc/22/11/53/327221153.db2.gz DGSWMEVMJNRPNI-MCIONIFRSA-N 0 3 285.391 2.952 20 30 CFEDHN C#CCN1CCC(C(=O)NCC(CC)(CC)CC)CC1 ZINC000150869701 327392873 /nfs/dbraw/zinc/39/28/73/327392873.db2.gz XWJAKLXYFQDLSI-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000245459754 327415897 /nfs/dbraw/zinc/41/58/97/327415897.db2.gz LPFOMEKKFBHHGO-ZSHCYNCHSA-N 0 3 276.424 2.579 20 30 CFEDHN N#CC1(NC(=O)CN[C@H](c2ccccc2)C2CCC2)CCC1 ZINC000561867326 327426316 /nfs/dbraw/zinc/42/63/16/327426316.db2.gz RRBVQSDWQXMHII-QGZVFWFLSA-N 0 3 297.402 2.680 20 30 CFEDHN C[C@@H](CCc1ccc2c(c1)OCO2)NCC1(C#N)CC1 ZINC000562392079 327478211 /nfs/dbraw/zinc/47/82/11/327478211.db2.gz IYXKTRITGDWIFJ-LBPRGKRZSA-N 0 3 272.348 2.630 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Br)cn1 ZINC000570283754 327581204 /nfs/dbraw/zinc/58/12/04/327581204.db2.gz UEHMFUCSQJLUHD-BIMULSAOSA-N 0 3 297.196 2.838 20 30 CFEDHN N#CCCC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000570328817 327583729 /nfs/dbraw/zinc/58/37/29/327583729.db2.gz ALKLQHGVZVOPRA-UHFFFAOYSA-N 0 3 286.375 2.974 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000399082698 328661844 /nfs/dbraw/zinc/66/18/44/328661844.db2.gz QFQORVNQUDDGQF-HNNXBMFYSA-N 0 3 271.408 2.669 20 30 CFEDHN C#Cc1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000377616490 329020545 /nfs/dbraw/zinc/02/05/45/329020545.db2.gz QAUKRIJLYVFRQQ-UHFFFAOYSA-N 0 3 255.361 2.670 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000377657986 329023209 /nfs/dbraw/zinc/02/32/09/329023209.db2.gz IXWRVDTWJUVNGC-INIZCTEOSA-N 0 3 265.360 2.771 20 30 CFEDHN CN1CC[C@@H](NCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000377670946 329023765 /nfs/dbraw/zinc/02/37/65/329023765.db2.gz OWSWCBHTGSIWQC-HUUCEWRRSA-N 0 3 277.799 2.979 20 30 CFEDHN CC(C)[C@@]1(CO)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000377680959 329024305 /nfs/dbraw/zinc/02/43/05/329024305.db2.gz NHKAJBWRZQINDR-KRWDZBQOSA-N 0 3 275.367 2.518 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(F)cc1Cl ZINC000320980838 329078385 /nfs/dbraw/zinc/07/83/85/329078385.db2.gz HQKVSWRXDIMXOP-LBPRGKRZSA-N 0 3 257.736 2.896 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000172265008 329084517 /nfs/dbraw/zinc/08/45/17/329084517.db2.gz QBHFPSUJCCAZFG-IIAWOOMASA-N 0 3 293.455 2.761 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418336827 329158432 /nfs/dbraw/zinc/15/84/32/329158432.db2.gz XUIVPFBYEAYRCB-DOMZBBRYSA-N 0 3 275.396 2.684 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N[C@@H](C#N)C2CCCCC2)c1 ZINC000176613408 329177352 /nfs/dbraw/zinc/17/73/52/329177352.db2.gz STHJRFRTPQMPIE-KRWDZBQOSA-N 0 3 299.418 2.950 20 30 CFEDHN C=CCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000177839264 329193002 /nfs/dbraw/zinc/19/30/02/329193002.db2.gz KGTSFBLVKIDBSJ-OAHLLOKOSA-N 0 3 272.392 2.862 20 30 CFEDHN COC[C@H](C)N(C)Cc1cccc(OCCCC#N)c1 ZINC000179368425 329204880 /nfs/dbraw/zinc/20/48/80/329204880.db2.gz JISJSQYYGQPAET-AWEZNQCLSA-N 0 3 276.380 2.836 20 30 CFEDHN C#CCSCCNCc1cn(C)nc1-c1cccs1 ZINC000179427516 329208070 /nfs/dbraw/zinc/20/80/70/329208070.db2.gz CEFWMHSHANLNGX-UHFFFAOYSA-N 0 3 291.445 2.605 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000582794124 329211249 /nfs/dbraw/zinc/21/12/49/329211249.db2.gz CSDXINUPUNOOSI-HNNXBMFYSA-N 0 3 279.428 2.613 20 30 CFEDHN C=CCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181295391 329230434 /nfs/dbraw/zinc/23/04/34/329230434.db2.gz VAGIUHQVZZGWAH-AWEZNQCLSA-N 0 3 268.364 2.837 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000321144169 329266411 /nfs/dbraw/zinc/26/64/11/329266411.db2.gz ULMCDAUWYOUDSF-UKRRQHHQSA-N 0 3 278.352 2.963 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)[C@H]1CC ZINC000185646087 329328223 /nfs/dbraw/zinc/32/82/23/329328223.db2.gz VEYWVEVXMYOPLN-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1sc(C)nc1C ZINC000321278400 329340220 /nfs/dbraw/zinc/34/02/20/329340220.db2.gz FUWMMFMCZVLUSR-PWSUYJOCSA-N 0 3 254.399 2.738 20 30 CFEDHN C=CCC1(C(=O)N[C@H](C)CN2CCCCC2)CCC1 ZINC000188589632 329367593 /nfs/dbraw/zinc/36/75/93/329367593.db2.gz LCLBKXXFZDXRRV-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCC[C@@H](C)C2)CCC1 ZINC000188730846 329370897 /nfs/dbraw/zinc/37/08/97/329370897.db2.gz RGSYIWWXMUSOFJ-CQSZACIVSA-N 0 3 264.413 2.581 20 30 CFEDHN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NCCC#N ZINC000584406253 329458622 /nfs/dbraw/zinc/45/86/22/329458622.db2.gz WYINCBCFWSITQD-NSHDSACASA-N 0 3 259.328 2.752 20 30 CFEDHN N#CC[C@@H]1CC[C@H](N[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000419262708 329714768 /nfs/dbraw/zinc/71/47/68/329714768.db2.gz TZLPYLYSJNHYAE-RRQGHBQHSA-N 0 3 297.402 2.678 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000419358028 329719833 /nfs/dbraw/zinc/71/98/33/329719833.db2.gz PTRAMGUPPYXSJD-CHWSQXEVSA-N 0 3 272.392 2.905 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCC#Cc1cccc(F)c1 ZINC000572394616 330057647 /nfs/dbraw/zinc/05/76/47/330057647.db2.gz MHMWRTYCPFGYIG-DNVCBOLYSA-N 0 3 297.373 2.931 20 30 CFEDHN C=CC[C@H](C(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000421708873 330069185 /nfs/dbraw/zinc/06/91/85/330069185.db2.gz BIHZPVXBCIWCAG-SJORKVTESA-N 0 3 286.419 2.899 20 30 CFEDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000421710611 330069505 /nfs/dbraw/zinc/06/95/05/330069505.db2.gz LMGMHFYRPUSJJW-INIZCTEOSA-N 0 3 299.418 2.654 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC12CC2)C(C)C ZINC000421772905 330074985 /nfs/dbraw/zinc/07/49/85/330074985.db2.gz OVOUPDBFMBBPSJ-GJZGRUSLSA-N 0 3 276.424 2.601 20 30 CFEDHN C=C(C)[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(F)c(F)c1 ZINC000274796961 330107416 /nfs/dbraw/zinc/10/74/16/330107416.db2.gz OEIWANVBEXEQKW-SQRWCISFSA-N 0 3 294.345 2.816 20 30 CFEDHN CC[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000421918391 330109311 /nfs/dbraw/zinc/10/93/11/330109311.db2.gz PLJKLBPQERJYOH-HIFRSBDPSA-N 0 3 258.365 2.921 20 30 CFEDHN C=CCC[C@H](N[C@H]1CNCCC1(F)F)c1ccco1 ZINC000423466962 330204586 /nfs/dbraw/zinc/20/45/86/330204586.db2.gz AWSIXEWTKZENQT-AAEUAGOBSA-N 0 3 270.323 2.874 20 30 CFEDHN CC(C)(C)c1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424054882 330218308 /nfs/dbraw/zinc/21/83/08/330218308.db2.gz CCMACUVPYUWHCF-CYBMUJFWSA-N 0 3 273.380 2.944 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc2ccccc2o1 ZINC000424058803 330218621 /nfs/dbraw/zinc/21/86/21/330218621.db2.gz ANYKWDPBQHKDSQ-AAEUAGOBSA-N 0 3 285.347 2.631 20 30 CFEDHN CC(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424068634 330219497 /nfs/dbraw/zinc/21/94/97/330219497.db2.gz SDVWKVZXVKLGKN-HZPDHXFCSA-N 0 3 287.407 2.911 20 30 CFEDHN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424069067 330219858 /nfs/dbraw/zinc/21/98/58/330219858.db2.gz OLGDUUFXEYLHPW-YGRLFVJLSA-N 0 3 295.333 2.505 20 30 CFEDHN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424084278 330222525 /nfs/dbraw/zinc/22/25/25/330222525.db2.gz NZRWHNHWYUZIGB-OCCSQVGLSA-N 0 3 299.374 2.973 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc2ccccc21 ZINC000424084013 330222675 /nfs/dbraw/zinc/22/26/75/330222675.db2.gz XYQVSZXRLQRGSR-CQSZACIVSA-N 0 3 267.332 2.799 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1cccc2ccccc21 ZINC000424084012 330222713 /nfs/dbraw/zinc/22/27/13/330222713.db2.gz XYQVSZXRLQRGSR-AWEZNQCLSA-N 0 3 267.332 2.799 20 30 CFEDHN C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424085397 330222901 /nfs/dbraw/zinc/22/29/01/330222901.db2.gz CUTCNENYVFFAHP-RISCZKNCSA-N 0 3 293.798 2.881 20 30 CFEDHN CC(C)(C)c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424081781 330223550 /nfs/dbraw/zinc/22/35/50/330223550.db2.gz VQZPRHDMBNCOLJ-AWEZNQCLSA-N 0 3 273.380 2.944 20 30 CFEDHN Cc1cccc2sc(NC(=O)[C@H](N)CCCC#N)nc21 ZINC000424086049 330223594 /nfs/dbraw/zinc/22/35/94/330223594.db2.gz ZWSPZCDPESDDHF-SNVBAGLBSA-N 0 3 288.376 2.564 20 30 CFEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424087015 330223844 /nfs/dbraw/zinc/22/38/44/330223844.db2.gz CZVAWUWFWWZUBL-OCCSQVGLSA-N 0 3 299.374 2.940 20 30 CFEDHN CC[C@@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCC#N ZINC000424091721 330225427 /nfs/dbraw/zinc/22/54/27/330225427.db2.gz FDWQRUNCLUVFSI-CHWSQXEVSA-N 0 3 291.420 2.605 20 30 CFEDHN CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCCC#N ZINC000424092314 330225996 /nfs/dbraw/zinc/22/59/96/330225996.db2.gz PSLCWPIFPREKJW-AWEZNQCLSA-N 0 3 293.798 2.710 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N(CC1CCCCC1)C1CC1 ZINC000424095307 330226514 /nfs/dbraw/zinc/22/65/14/330226514.db2.gz XCCOZWHHMHTWFE-OAHLLOKOSA-N 0 3 277.412 2.579 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424095785 330227036 /nfs/dbraw/zinc/22/70/36/330227036.db2.gz OAVGKXKRVVLOBY-CYBMUJFWSA-N 0 3 279.771 2.714 20 30 CFEDHN CC(C)OCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424097901 330228139 /nfs/dbraw/zinc/22/81/39/330228139.db2.gz GELIRAFCOIAKEV-OAHLLOKOSA-N 0 3 289.379 2.571 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000424104130 330233930 /nfs/dbraw/zinc/23/39/30/330233930.db2.gz GIYOFWXFVVTIAP-KRWDZBQOSA-N 0 3 299.418 2.836 20 30 CFEDHN CC(C)Oc1ccc(F)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424114675 330242814 /nfs/dbraw/zinc/24/28/14/330242814.db2.gz RXKVHKQCVYIPOO-LBPRGKRZSA-N 0 3 293.342 2.573 20 30 CFEDHN CC(C)Oc1ccc(F)cc1NC(=O)[C@H](N)CCCC#N ZINC000424114674 330242869 /nfs/dbraw/zinc/24/28/69/330242869.db2.gz RXKVHKQCVYIPOO-GFCCVEGCSA-N 0 3 293.342 2.573 20 30 CFEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)sc2c1CCCC2 ZINC000424115684 330243364 /nfs/dbraw/zinc/24/33/64/330243364.db2.gz AWRROLDJGKEWLH-GFCCVEGCSA-N 0 3 291.420 2.895 20 30 CFEDHN CC(C)n1ncc2ccc(NC(=O)[C@@H](N)CCCC#N)cc21 ZINC000424117289 330243788 /nfs/dbraw/zinc/24/37/88/330243788.db2.gz YOEYLIVMNBTLQU-AWEZNQCLSA-N 0 3 299.378 2.577 20 30 CFEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424117422 330243841 /nfs/dbraw/zinc/24/38/41/330243841.db2.gz YRIGEZWTIUPNSO-KKUMJFAQSA-N 0 3 279.428 2.729 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000528396991 330251850 /nfs/dbraw/zinc/25/18/50/330251850.db2.gz QFUNWVGKDJOXJV-KBMXLJTQSA-N 0 3 270.376 2.734 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1F ZINC000424127058 330259392 /nfs/dbraw/zinc/25/93/92/330259392.db2.gz PTCYXJFCVVSNLX-KBPBESRZSA-N 0 3 295.333 2.553 20 30 CFEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)c2cccnc12 ZINC000424128997 330259880 /nfs/dbraw/zinc/25/98/80/330259880.db2.gz FUSRGIVTZIPBRX-CYBMUJFWSA-N 0 3 282.347 2.503 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)c1c(F)cccc1Cl ZINC000424149573 330295759 /nfs/dbraw/zinc/29/57/59/330295759.db2.gz HGTXMVOPWJHYCR-CABZTGNLSA-N 0 3 297.761 2.677 20 30 CFEDHN Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](N)CCCC#N ZINC000424167232 330309780 /nfs/dbraw/zinc/30/97/80/330309780.db2.gz HCTPDHRTMBJODE-CYBMUJFWSA-N 0 3 298.346 2.610 20 30 CFEDHN Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424167233 330309817 /nfs/dbraw/zinc/30/98/17/330309817.db2.gz HCTPDHRTMBJODE-ZDUSSCGKSA-N 0 3 298.346 2.610 20 30 CFEDHN CC1(c2ccccc2)CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424167330 330309832 /nfs/dbraw/zinc/30/98/32/330309832.db2.gz DKVSLMKMAPHCCJ-INIZCTEOSA-N 0 3 299.418 2.588 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000424170964 330311038 /nfs/dbraw/zinc/31/10/38/330311038.db2.gz LQUHYOMUWDDQMA-ZACQAIPSSA-N 0 3 299.418 2.535 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000424196611 330325353 /nfs/dbraw/zinc/32/53/53/330325353.db2.gz NILPNMOBWORALZ-LPQXIQMLSA-N 0 3 271.320 2.890 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@@H]2C[C@H]2c2cccs2)nn1 ZINC000424292774 330335168 /nfs/dbraw/zinc/33/51/68/330335168.db2.gz HGZYGVTUIUCWAE-KWCYVHTRSA-N 0 3 288.420 2.807 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)[C@@H]2C[C@H]2c2cccs2)nn1 ZINC000424292773 330335211 /nfs/dbraw/zinc/33/52/11/330335211.db2.gz HGZYGVTUIUCWAE-FPMFFAJLSA-N 0 3 288.420 2.807 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCc2ccc(C)cc2)nn1 ZINC000424294385 330335746 /nfs/dbraw/zinc/33/57/46/330335746.db2.gz KUBRARUPHGXIEK-HNNXBMFYSA-N 0 3 284.407 2.883 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)C2CCC(F)(F)CC2)nn1 ZINC000424296490 330336148 /nfs/dbraw/zinc/33/61/48/330336148.db2.gz OSNFKFHOQVUPRQ-NSHDSACASA-N 0 3 284.354 2.768 20 30 CFEDHN CC(=O)N1CCC(N[C@H](CCC#N)c2ccccc2)CC1 ZINC000090665560 330394552 /nfs/dbraw/zinc/39/45/52/330394552.db2.gz BQGUHZFGXVQGAV-QGZVFWFLSA-N 0 3 285.391 2.632 20 30 CFEDHN CC(C)(C#N)CCCN1CCCN(CC(F)F)CC1 ZINC000091083954 330398284 /nfs/dbraw/zinc/39/82/84/330398284.db2.gz LVGVRHHDOVNPJU-UHFFFAOYSA-N 0 3 273.371 2.589 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000424608642 330414443 /nfs/dbraw/zinc/41/44/43/330414443.db2.gz BAPKCJWSJGZRHD-ZDUSSCGKSA-N 0 3 254.418 2.681 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(C)CCC1)C(C)C ZINC000426266566 330502594 /nfs/dbraw/zinc/50/25/94/330502594.db2.gz YSIJQDSEHMGXIM-OAHLLOKOSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCc1cc(CNCC2(CC#N)CC2)cc(OC)c1O ZINC000430036862 330557794 /nfs/dbraw/zinc/55/77/94/330557794.db2.gz GFZLFSDMZSJASS-UHFFFAOYSA-N 0 3 286.375 2.913 20 30 CFEDHN CC[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)N(CC)CC ZINC000434447867 330639095 /nfs/dbraw/zinc/63/90/95/330639095.db2.gz FDEPTTPFLPVDCH-UONOGXRCSA-N 0 3 279.428 2.648 20 30 CFEDHN COC(=O)CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442864457 330788296 /nfs/dbraw/zinc/78/82/96/330788296.db2.gz ZQEHFYXYNNMGFK-BMFZPTHFSA-N 0 3 286.375 2.963 20 30 CFEDHN N#C[C@H]1CC[C@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000442867393 330788643 /nfs/dbraw/zinc/78/86/43/330788643.db2.gz LFMJIDGBGISTHY-MJVIPROJSA-N 0 3 260.312 2.931 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](CC(F)(F)F)C(C)C ZINC000445886296 330841208 /nfs/dbraw/zinc/84/12/08/330841208.db2.gz CKIGXVZNRJRXCG-GFCCVEGCSA-N 0 3 292.345 2.754 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000447971431 330881765 /nfs/dbraw/zinc/88/17/65/330881765.db2.gz KOWDUZUFGKFITJ-INIZCTEOSA-N 0 3 289.423 2.863 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(C(C)(C)C)s1 ZINC000449519382 330933363 /nfs/dbraw/zinc/93/33/63/330933363.db2.gz MENPNGNEBDTDGJ-NEPJUHHUSA-N 0 3 266.410 2.874 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)ccc1F ZINC000449547162 330935434 /nfs/dbraw/zinc/93/54/34/330935434.db2.gz GVJXPCUVHFMFQG-KGLIPLIRSA-N 0 3 253.292 2.788 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(Cc2ccccc2)c1 ZINC000449547562 330935536 /nfs/dbraw/zinc/93/55/36/330935536.db2.gz IQTTVKSVYYLRHS-MSOLQXFVSA-N 0 3 297.402 2.755 20 30 CFEDHN C=CCN(CCCC(=O)c1ccccc1)CCOC ZINC000450834003 331001872 /nfs/dbraw/zinc/00/18/72/331001872.db2.gz CKDWNFQCDICLQS-UHFFFAOYSA-N 0 3 261.365 2.784 20 30 CFEDHN COCCN(CC1(C#N)CCC1)[C@H]1CCC[C@@H]1C ZINC000450846823 331002524 /nfs/dbraw/zinc/00/25/24/331002524.db2.gz PKGYCIQHOGGSAL-KBPBESRZSA-N 0 3 250.386 2.817 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2CC2(C#N)CCC2)C1 ZINC000450897560 331005642 /nfs/dbraw/zinc/00/56/42/331005642.db2.gz AMSKPIAKQAJULE-WCVJEAGWSA-N 0 3 276.424 2.942 20 30 CFEDHN N#CC1(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCC1 ZINC000450904616 331006225 /nfs/dbraw/zinc/00/62/25/331006225.db2.gz MLEJYKIUQORXBO-KFWWJZLASA-N 0 3 262.397 2.696 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451365678 331025853 /nfs/dbraw/zinc/02/58/53/331025853.db2.gz XAOXDMRJLGIFFG-HPFXQQBRSA-N 0 3 288.435 2.555 20 30 CFEDHN OC[C@@H]([C@H](NCC#Cc1ccc(F)cc1)C1CC1)C1CC1 ZINC000451610475 331036909 /nfs/dbraw/zinc/03/69/09/331036909.db2.gz OJNVPGZQBBVPAY-QZTJIDSGSA-N 0 3 287.378 2.564 20 30 CFEDHN N#CC1(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451623856 331037224 /nfs/dbraw/zinc/03/72/24/331037224.db2.gz CZOLKUZZKJEWGO-KGLIPLIRSA-N 0 3 260.381 2.571 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000451675673 331038494 /nfs/dbraw/zinc/03/84/94/331038494.db2.gz QJCJEEIPHVOCDE-HIFRSBDPSA-N 0 3 276.336 2.726 20 30 CFEDHN CC1(C)COC[C@@H]1NCC#Cc1ccccc1Cl ZINC000451811837 331043492 /nfs/dbraw/zinc/04/34/92/331043492.db2.gz OFGPNWNGGZQVLT-AWEZNQCLSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875740 331045778 /nfs/dbraw/zinc/04/57/78/331045778.db2.gz WFVHALAPORARNS-LBPRGKRZSA-N 0 3 264.335 2.769 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915403 331047193 /nfs/dbraw/zinc/04/71/93/331047193.db2.gz VKSOYCKWICQFHX-MNOVXSKESA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1cccc([C@@H](C)NCC(=O)NC2(C#N)CCCCC2)c1 ZINC000452070080 331052745 /nfs/dbraw/zinc/05/27/45/331052745.db2.gz FVOOFQPAPJYHLG-OAHLLOKOSA-N 0 3 299.418 2.988 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](CC(C)(C)C)C2)C1=O ZINC000452083937 331053437 /nfs/dbraw/zinc/05/34/37/331053437.db2.gz UQTJUDKEGOVPBI-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C(C)C)C2CC(C)(C)C2)C1=O ZINC000452111479 331054590 /nfs/dbraw/zinc/05/45/90/331054590.db2.gz UNEFNNBSKQUNPC-AWEZNQCLSA-N 0 3 264.413 2.672 20 30 CFEDHN OCCC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000452119086 331054899 /nfs/dbraw/zinc/05/48/99/331054899.db2.gz KPEXLMMQGZBDRG-HNNXBMFYSA-N 0 3 277.795 2.786 20 30 CFEDHN Cc1ccc(C2(CNC(=O)C(C)C#N)CC2)c(C)c1 ZINC000452295241 331061283 /nfs/dbraw/zinc/06/12/83/331061283.db2.gz JMADEHFUYNJJON-CYBMUJFWSA-N 0 3 256.349 2.611 20 30 CFEDHN CC(C#N)C(=O)NCCOc1ccc(Cl)c(Cl)c1 ZINC000452415665 331064378 /nfs/dbraw/zinc/06/43/78/331064378.db2.gz HASDHZFIRXXMJB-MRVPVSSYSA-N 0 3 287.146 2.648 20 30 CFEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000194853358 331065280 /nfs/dbraw/zinc/06/52/80/331065280.db2.gz RABQBDZHYDCYJW-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000194853344 331065310 /nfs/dbraw/zinc/06/53/10/331065310.db2.gz RABQBDZHYDCYJW-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000452720095 331073606 /nfs/dbraw/zinc/07/36/06/331073606.db2.gz DCLDILLINMVUJP-UHFFFAOYSA-N 0 3 272.392 2.978 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453162371 331095787 /nfs/dbraw/zinc/09/57/87/331095787.db2.gz KFAYXOIUMVTVPP-CABCVRRESA-N 0 3 299.418 2.922 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453162096 331095877 /nfs/dbraw/zinc/09/58/77/331095877.db2.gz JRLZTRGEWPMKPC-LSDHHAIUSA-N 0 3 299.418 2.922 20 30 CFEDHN C=CC(C)(C)CN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453312144 331114943 /nfs/dbraw/zinc/11/49/43/331114943.db2.gz URVSROUVXSTPBQ-AWEZNQCLSA-N 0 3 295.448 2.959 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)[C@H](OC)c1ccccc1 ZINC000453338064 331118807 /nfs/dbraw/zinc/11/88/07/331118807.db2.gz ARXJNSZXHPYWMQ-OJLVUWQFSA-N 0 3 261.365 2.696 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1ccc(OC)c2F ZINC000453356577 331121722 /nfs/dbraw/zinc/12/17/22/331121722.db2.gz LWMKOZUSEZTAAG-MJBXVCDLSA-N 0 3 277.339 2.755 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1sc(CCOC)nc1C ZINC000453369364 331123714 /nfs/dbraw/zinc/12/37/14/331123714.db2.gz TZUDIVBWDFXZKI-YPMHNXCESA-N 0 3 298.452 2.618 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453372972 331124253 /nfs/dbraw/zinc/12/42/53/331124253.db2.gz VPNNFXNJMGMASN-BBRMVZONSA-N 0 3 290.363 2.889 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000453376992 331125101 /nfs/dbraw/zinc/12/51/01/331125101.db2.gz YHYCVSJPJULDAZ-DTGLCGDCSA-N 0 3 293.432 2.808 20 30 CFEDHN CC(C)OCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000163951888 331143158 /nfs/dbraw/zinc/14/31/58/331143158.db2.gz MIOIFKMDXMFJJE-CYBMUJFWSA-N 0 3 262.353 2.665 20 30 CFEDHN C=C(C)CCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000454476645 331147085 /nfs/dbraw/zinc/14/70/85/331147085.db2.gz HLSRCTKRYUEUHC-OKILXGFUSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000454863091 331155224 /nfs/dbraw/zinc/15/52/24/331155224.db2.gz PXPIZZSBRKPWDY-CQSZACIVSA-N 0 3 279.428 2.515 20 30 CFEDHN CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)N1CCCCC1 ZINC000456054957 331183486 /nfs/dbraw/zinc/18/34/86/331183486.db2.gz VNAGZQPMYXOFRQ-HRCADAONSA-N 0 3 291.439 2.695 20 30 CFEDHN C=C(C)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000456116415 331184581 /nfs/dbraw/zinc/18/45/81/331184581.db2.gz DNMZVERTMSRKLI-HNNXBMFYSA-N 0 3 256.349 2.841 20 30 CFEDHN CC[C@@](C)(CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000456117821 331184656 /nfs/dbraw/zinc/18/46/56/331184656.db2.gz HCKGQSGKBIXPOW-RDJZCZTQSA-N 0 3 288.391 2.690 20 30 CFEDHN N#CCc1cccc(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000456760457 331200835 /nfs/dbraw/zinc/20/08/35/331200835.db2.gz WRBUETSCKWPVKH-UHFFFAOYSA-N 0 3 283.375 2.566 20 30 CFEDHN C=C(CC)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000456831033 331206631 /nfs/dbraw/zinc/20/66/31/331206631.db2.gz SFWREMHQFNLRLK-UHFFFAOYSA-N 0 3 272.392 2.978 20 30 CFEDHN C=C[C@H](CC(=O)NC(C)(C)CN(C)C)c1ccccc1 ZINC000457257401 331217449 /nfs/dbraw/zinc/21/74/49/331217449.db2.gz ZPNXASXILJZGRA-CQSZACIVSA-N 0 3 274.408 2.803 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C2CCC2)CC1 ZINC000457539562 331226319 /nfs/dbraw/zinc/22/63/19/331226319.db2.gz HIOLENOHMOMTRD-ZDUSSCGKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000458324549 331248798 /nfs/dbraw/zinc/24/87/98/331248798.db2.gz RJGRHWCVXSQDFT-GDBMZVCRSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](CCC)C2CCC2)CC1 ZINC000458332352 331249064 /nfs/dbraw/zinc/24/90/64/331249064.db2.gz JJVNUZSNMFUCEK-INIZCTEOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@]2(C)CCCC[C@H]2C)CC1 ZINC000458333891 331249250 /nfs/dbraw/zinc/24/92/50/331249250.db2.gz LRNUOUALLMBYSM-PBHICJAKSA-N 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269.352 2.501 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464789588 331368417 /nfs/dbraw/zinc/36/84/17/331368417.db2.gz PARQIDGJZCQRJT-INIZCTEOSA-N 0 3 292.398 2.627 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000466385311 331394206 /nfs/dbraw/zinc/39/42/06/331394206.db2.gz CUFYXJMGFLMGNJ-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC)CC2CCC2)CC1 ZINC000474328507 331580514 /nfs/dbraw/zinc/58/05/14/331580514.db2.gz JPGYLWLODFCSER-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)[C@H](C)N1CCCCCC1 ZINC000488878999 332031723 /nfs/dbraw/zinc/03/17/23/332031723.db2.gz RBFQVXAHFOMWLO-GJZGRUSLSA-N 0 3 264.413 2.818 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1cccc(C)c1 ZINC000489427213 332051449 /nfs/dbraw/zinc/05/14/49/332051449.db2.gz LZVRDMPXPAMBJR-CVEARBPZSA-N 0 3 275.392 2.775 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc(C(=O)NC)cc1 ZINC000489426413 332051558 /nfs/dbraw/zinc/05/15/58/332051558.db2.gz BRUNRDMEDKCSMA-HNNXBMFYSA-N 0 3 258.365 2.587 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1(C)CCCC1 ZINC000490198244 332084236 /nfs/dbraw/zinc/08/42/36/332084236.db2.gz CELQMYBPRSHLJV-UHFFFAOYSA-N 0 3 277.412 2.594 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000490605605 332094998 /nfs/dbraw/zinc/09/49/98/332094998.db2.gz RQCSPDLZBWMPON-SFHVURJKSA-N 0 3 298.430 2.908 20 30 CFEDHN C#CCN(Cc1c(C)nn(C)c1C)C1CCCCC1 ZINC000490897935 332126718 /nfs/dbraw/zinc/12/67/18/332126718.db2.gz GRADHYCFIFPNTD-UHFFFAOYSA-N 0 3 259.397 2.805 20 30 CFEDHN CN(C[C@@H]1CCCN(CCCC#N)C1)C(=O)OC(C)(C)C ZINC000490958155 332133149 /nfs/dbraw/zinc/13/31/49/332133149.db2.gz CMBYMEQLHFJBAO-AWEZNQCLSA-N 0 3 295.427 2.869 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000491093131 332148155 /nfs/dbraw/zinc/14/81/55/332148155.db2.gz DRCVXENWHAONDD-ZDUSSCGKSA-N 0 3 279.343 2.618 20 30 CFEDHN C#C[C@@H](NCc1ccc(N(C)CC)nc1)C(C)(C)C ZINC000491277255 332179561 /nfs/dbraw/zinc/17/95/61/332179561.db2.gz NMWUUFBZXQBDIW-CQSZACIVSA-N 0 3 259.397 2.675 20 30 CFEDHN C#CCN1CCC(C(=O)NC2(CC=C)CCCCC2)CC1 ZINC000491619844 332245988 /nfs/dbraw/zinc/24/59/88/332245988.db2.gz CLRVRKGPOFWSPI-UHFFFAOYSA-N 0 3 288.435 2.727 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1cccc2ccccc21 ZINC000491621510 332246686 /nfs/dbraw/zinc/24/66/86/332246686.db2.gz CVXFKHWQLLVQDT-GOEBONIOSA-N 0 3 283.371 2.533 20 30 CFEDHN C#C[C@H](CC)NCc1cnc(-c2ccncc2)s1 ZINC000491635399 332256060 /nfs/dbraw/zinc/25/60/60/332256060.db2.gz UYHSFWJFUQORPT-GFCCVEGCSA-N 0 3 257.362 2.707 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000491635026 332256248 /nfs/dbraw/zinc/25/62/48/332256248.db2.gz KDZGFOTXXKIOEV-WMLDXEAASA-N 0 3 273.376 2.698 20 30 CFEDHN C#C[C@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000491660574 332270904 /nfs/dbraw/zinc/27/09/04/332270904.db2.gz MPODRZMNUUVGDS-BBRMVZONSA-N 0 3 256.349 2.725 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccccc1Cl ZINC000491660770 332271031 /nfs/dbraw/zinc/27/10/31/332271031.db2.gz DDSFWAPBFGSULF-NSHDSACASA-N 0 3 264.756 2.622 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c(OC)c1C)C(C)C ZINC000491663619 332272450 /nfs/dbraw/zinc/27/24/50/332272450.db2.gz ICGRHTARQBODFV-CQSZACIVSA-N 0 3 261.365 2.760 20 30 CFEDHN C#CCN(C(=O)NC[C@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000491714203 332304822 /nfs/dbraw/zinc/30/48/22/332304822.db2.gz FXTBQVWNHPYFSI-KRWDZBQOSA-N 0 3 299.418 2.617 20 30 CFEDHN C#CCN1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000491740347 332319288 /nfs/dbraw/zinc/31/92/88/332319288.db2.gz YJJSXCNQUNMKIZ-GJZGRUSLSA-N 0 3 292.423 2.589 20 30 CFEDHN C#C[C@@H](CCC)NC(=N)Nc1cc(F)ccc1F ZINC000491772712 332338901 /nfs/dbraw/zinc/33/89/01/332338901.db2.gz UFYFMKZMRVTQKU-JTQLQIEISA-N 0 3 251.280 2.703 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccc(F)cc1)C(C)C ZINC000491786550 332349240 /nfs/dbraw/zinc/34/92/40/332349240.db2.gz UHUHEDCYVTVUAW-MRXNPFEDSA-N 0 3 285.366 2.974 20 30 CFEDHN CN(C)C/C=C/C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000491841184 332371727 /nfs/dbraw/zinc/37/17/27/332371727.db2.gz BUUXWVCZQDXHCU-FYCOFBDGSA-N 0 3 299.418 2.783 20 30 CFEDHN C=CCN(C[C@H](C)NC(=O)OC(C)(C)C)C1CC1 ZINC000492279945 332390516 /nfs/dbraw/zinc/39/05/16/332390516.db2.gz YXXGZOFJMGIOQO-NSHDSACASA-N 0 3 254.374 2.550 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336656347 335109967 /nfs/dbraw/zinc/10/99/67/335109967.db2.gz MJIGXDIUQZSRBI-SJLPKXTDSA-N 0 3 299.418 2.659 20 30 CFEDHN N#CCCn1cc(CN[C@H]2CC23CC3)c(-c2ccncc2)n1 ZINC000575741113 335110670 /nfs/dbraw/zinc/11/06/70/335110670.db2.gz SWZNSXSCUALCGB-HNNXBMFYSA-N 0 3 293.374 2.501 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000494698950 332483523 /nfs/dbraw/zinc/48/35/23/332483523.db2.gz LWQCNFQEAPKYRM-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCC[C@H](C(=O)NCCN1CCCC1)c1ccccc1 ZINC000494922588 332491381 /nfs/dbraw/zinc/49/13/81/332491381.db2.gz ONOMCZZGSKEDHE-KRWDZBQOSA-N 0 3 286.419 2.948 20 30 CFEDHN C#CC[C@H](C)NCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000496125425 332539576 /nfs/dbraw/zinc/53/95/76/332539576.db2.gz RGNSBEGWQJFVDP-JTQLQIEISA-N 0 3 295.408 2.992 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1C)C(C)C ZINC000173927773 332986317 /nfs/dbraw/zinc/98/63/17/332986317.db2.gz DGKJHJQORXOUFV-JKSUJKDBSA-N 0 3 293.455 2.879 20 30 CFEDHN C[C@H](CC#N)N(C)CCCCCN(C)[C@@H](C)CC#N ZINC000177364886 333057977 /nfs/dbraw/zinc/05/79/77/333057977.db2.gz WRXYCIWAHHCFBD-GASCZTMLSA-N 0 3 264.417 2.625 20 30 CFEDHN CC[C@@H](C)CN(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000177860482 333064177 /nfs/dbraw/zinc/06/41/77/333064177.db2.gz FTSZBLWUSVPICD-CQSZACIVSA-N 0 3 279.428 2.697 20 30 CFEDHN C#C[C@H](NCc1ccc(-n2ccnc2)cc1)C(C)C ZINC000311290231 333066939 /nfs/dbraw/zinc/06/69/39/333066939.db2.gz SGWMVMFXGLSYHH-INIZCTEOSA-N 0 3 253.349 2.620 20 30 CFEDHN C#C[C@@H](NCc1ccc(-n2ccnc2)cc1)C(C)C ZINC000311290232 333066994 /nfs/dbraw/zinc/06/69/94/333066994.db2.gz SGWMVMFXGLSYHH-MRXNPFEDSA-N 0 3 253.349 2.620 20 30 CFEDHN Cc1c(Br)cccc1CNC(=O)C(C)C#N ZINC000516785256 333082597 /nfs/dbraw/zinc/08/25/97/333082597.db2.gz VKIULKYRAHMCQS-QMMMGPOBSA-N 0 3 281.153 2.533 20 30 CFEDHN C[C@@H](CCC#N)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978771 333088765 /nfs/dbraw/zinc/08/87/65/333088765.db2.gz IRDBNJUTWUVVBU-JSGCOSHPSA-N 0 3 260.385 2.538 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H]1CN(c2ccccc2)CCO1 ZINC000517387744 333098587 /nfs/dbraw/zinc/09/85/87/333098587.db2.gz NKKDJDIWWLQXKT-AEFFLSMTSA-N 0 3 286.419 2.932 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1CCCCCC1 ZINC000190375793 333206316 /nfs/dbraw/zinc/20/63/16/333206316.db2.gz BFSJQSCVGMRDRM-OAHLLOKOSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCN(CCOC)C[C@H](C)c1ccc(OC)cc1 ZINC000191758938 333224678 /nfs/dbraw/zinc/22/46/78/333224678.db2.gz MMKJCUUYRQLKIE-AWEZNQCLSA-N 0 3 263.381 2.933 20 30 CFEDHN C=CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000522052668 333232142 /nfs/dbraw/zinc/23/21/42/333232142.db2.gz BWEYKHOZYCEGJL-GASCZTMLSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1ccc(C(=O)C2CCN(C(=O)C(C)C#N)CC2)c(C)c1 ZINC000522984992 333303248 /nfs/dbraw/zinc/30/32/48/333303248.db2.gz ZTLQZZPAXZJVGJ-AWEZNQCLSA-N 0 3 298.386 2.884 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000524811549 333389260 /nfs/dbraw/zinc/38/92/60/333389260.db2.gz NNVAXAUELRPPOH-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(C)o2)CC1 ZINC000123681909 333550939 /nfs/dbraw/zinc/55/09/39/333550939.db2.gz LAMSMSBEJBLMBJ-UHFFFAOYSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(C)COCCNCc1ccc(OCC)c(OC)c1 ZINC000125806015 333574314 /nfs/dbraw/zinc/57/43/14/333574314.db2.gz BMWSZKJLITVERD-UHFFFAOYSA-N 0 3 279.380 2.776 20 30 CFEDHN CC(C)n1cc([C@@H](C)NCCCSCC#N)cn1 ZINC000541644474 333785724 /nfs/dbraw/zinc/78/57/24/333785724.db2.gz OUNBLFDACNFUPH-GFCCVEGCSA-N 0 3 266.414 2.761 20 30 CFEDHN CC(C)(C#N)CCN1CCC(C(=O)N2CCCCC2)CC1 ZINC000131045598 333895741 /nfs/dbraw/zinc/89/57/41/333895741.db2.gz GCZGTPKEHYHEPO-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN CC#CCCN1CCC(Oc2ccc(OC)cc2)CC1 ZINC000545196799 333968253 /nfs/dbraw/zinc/96/82/53/333968253.db2.gz ZNMMYPNIFXASSO-UHFFFAOYSA-N 0 3 273.376 2.952 20 30 CFEDHN C[C@H](C#N)CN[C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000546655312 334044069 /nfs/dbraw/zinc/04/40/69/334044069.db2.gz JXTXXNBGZSNBIJ-UXLLHSPISA-N 0 3 271.408 2.646 20 30 CFEDHN C[C@@H](C#N)CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133815283 334059638 /nfs/dbraw/zinc/05/96/38/334059638.db2.gz IKEZRFCHZIMQNC-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H]2CCCC(C)(C)C2)C1=O ZINC000547405765 334086088 /nfs/dbraw/zinc/08/60/88/334086088.db2.gz SWRXDPMDQJTCQR-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000134292224 334087271 /nfs/dbraw/zinc/08/72/71/334087271.db2.gz JUOLPWKQPLZMJD-GDBMZVCRSA-N 0 3 264.413 2.579 20 30 CFEDHN CC(C)CC[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000135318958 334125634 /nfs/dbraw/zinc/12/56/34/334125634.db2.gz QIJTVWWRAFAVAB-WBVHZDCISA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H]1CCCc1ccccc1 ZINC000135357896 334127333 /nfs/dbraw/zinc/12/73/33/334127333.db2.gz BLQDGAVDEUGZSV-QGZVFWFLSA-N 0 3 286.419 2.776 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CCO1 ZINC000576271988 335180182 /nfs/dbraw/zinc/18/01/82/335180182.db2.gz NOWAGBDJFDLLQA-IHRRRGAJSA-N 0 3 263.385 2.613 20 30 CFEDHN C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000246918448 334271821 /nfs/dbraw/zinc/27/18/21/334271821.db2.gz YIFIECMBIDZIGZ-GJZGRUSLSA-N 0 3 291.439 2.697 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]2CCC[C@H]21 ZINC000247475147 334282248 /nfs/dbraw/zinc/28/22/48/334282248.db2.gz JOUMCWCWKIXSQU-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000552080199 334286751 /nfs/dbraw/zinc/28/67/51/334286751.db2.gz NCUSYSWEZKWKAZ-LBPRGKRZSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCNC(=O)CN1CCCC[C@H]1CCc1ccccc1 ZINC000090010689 334355490 /nfs/dbraw/zinc/35/54/90/334355490.db2.gz DPIZHQXQUNEYIL-KRWDZBQOSA-N 0 3 286.419 2.776 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)c(CC)o2)CC1 ZINC000155966194 334732740 /nfs/dbraw/zinc/73/27/40/334732740.db2.gz UUDMQRIBGDVAMB-UHFFFAOYSA-N 0 3 290.407 2.921 20 30 CFEDHN C=CCCCCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC000577410817 335350014 /nfs/dbraw/zinc/35/00/14/335350014.db2.gz GQYQAKJTGCXCHX-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN C=C(C)CN[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000179730797 335512909 /nfs/dbraw/zinc/51/29/09/335512909.db2.gz ZXBXLGGEJMZJQP-HNNXBMFYSA-N 0 3 290.407 2.770 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC000582012530 336191664 /nfs/dbraw/zinc/19/16/64/336191664.db2.gz KHIVHAMJDZRJBW-INIZCTEOSA-N 0 3 286.419 2.933 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001085586300 782108064 /nfs/dbraw/zinc/10/80/64/782108064.db2.gz RRCDXBRQMUDMPW-CYBMUJFWSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738651 782147144 /nfs/dbraw/zinc/14/71/44/782147144.db2.gz RMFAFZRLMKRLMB-YVSFHVDLSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085747974 782149153 /nfs/dbraw/zinc/14/91/53/782149153.db2.gz UZNLQPLCGVBMBP-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCN(CC)CCOc1ccc(Br)cc1 ZINC000741806882 574304986 /nfs/dbraw/zinc/30/49/86/574304986.db2.gz FEGINNWJKWULOD-UHFFFAOYSA-N 0 3 282.181 2.783 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000742412407 574328873 /nfs/dbraw/zinc/32/88/73/574328873.db2.gz QLMDUWKLUQXGOS-SFYZADRCSA-N 0 3 270.789 2.563 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC1(O)CCC1 ZINC000425538048 534079653 /nfs/dbraw/zinc/07/96/53/534079653.db2.gz RENOHXWWOHXCQJ-ZDUSSCGKSA-N 0 3 258.365 2.856 20 30 CFEDHN C[C@@H](CNc1ncc(C#N)cc1F)N1CCCC[C@H]1C ZINC000413054892 534096825 /nfs/dbraw/zinc/09/68/25/534096825.db2.gz PIFAQMDGPWGGOO-NEPJUHHUSA-N 0 3 276.359 2.767 20 30 CFEDHN C[C@H]1OCC[C@H]1NCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000330280823 534128702 /nfs/dbraw/zinc/12/87/02/534128702.db2.gz TTWGUNSCZOCQQI-XGFWRYKXSA-N 0 3 268.401 2.535 20 30 CFEDHN Cc1ccc(C[C@@H](NC(=O)C(C)C#N)c2ccccn2)cc1 ZINC000347123327 534129858 /nfs/dbraw/zinc/12/98/58/534129858.db2.gz NLQJCJWYXPHYNC-RHSMWYFYSA-N 0 3 293.370 2.950 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccn(CC)c1C ZINC001085781271 782160455 /nfs/dbraw/zinc/16/04/55/782160455.db2.gz QQFYAJKUZANJFK-OAHLLOKOSA-N 0 3 289.423 2.539 20 30 CFEDHN O=C(CN[C@@H]1CCO[C@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000330258289 534339105 /nfs/dbraw/zinc/33/91/05/534339105.db2.gz MIJUNDBDSHHPDY-HIFRSBDPSA-N 0 3 296.317 2.710 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(OC)c(COC)c1 ZINC000181098764 518337681 /nfs/dbraw/zinc/33/76/81/518337681.db2.gz BIBRCZUIZOSVIW-CYBMUJFWSA-N 0 3 293.432 2.859 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(C(=O)OC)o1 ZINC000268897303 534354043 /nfs/dbraw/zinc/35/40/43/534354043.db2.gz PLCIGRZGDOCCFY-WDEREUQCSA-N 0 3 251.326 2.757 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1ccc(C#N)c(F)c1 ZINC000192012903 518664134 /nfs/dbraw/zinc/66/41/34/518664134.db2.gz JTTSVCZMEBPYLM-UHFFFAOYSA-N 0 3 278.371 2.928 20 30 CFEDHN CC(C)(CCO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356184172 519226368 /nfs/dbraw/zinc/22/63/68/519226368.db2.gz UNQKMYLUQOVPTJ-UHFFFAOYSA-N 0 3 286.297 2.828 20 30 CFEDHN CC(C)C(=O)NCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360648749 519501682 /nfs/dbraw/zinc/50/16/82/519501682.db2.gz SCXUYWJSPMOABH-QGZVFWFLSA-N 0 3 299.418 2.688 20 30 CFEDHN CC(C)NC(=O)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360657210 519703966 /nfs/dbraw/zinc/70/39/66/519703966.db2.gz MSDXHQDFUQZQKG-QGZVFWFLSA-N 0 3 299.418 2.830 20 30 CFEDHN CCCCN(CCOC)CCOc1cccc(C#N)c1 ZINC000068851458 520535432 /nfs/dbraw/zinc/53/54/32/520535432.db2.gz CXBJDCHMSCTMKR-UHFFFAOYSA-N 0 3 276.380 2.686 20 30 CFEDHN CCCCN(CCOC)CCOc1ccccc1C#N ZINC000068852231 520535569 /nfs/dbraw/zinc/53/55/69/520535569.db2.gz SHPWYYICOVFZBO-UHFFFAOYSA-N 0 3 276.380 2.686 20 30 CFEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(C#N)c1 ZINC000366052885 520778133 /nfs/dbraw/zinc/77/81/33/520778133.db2.gz NJKZQFRUACNIPM-MZBDJJRSSA-N 0 3 274.339 2.575 20 30 CFEDHN CCN1CCC[C@H]1CN(C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360307307 521651860 /nfs/dbraw/zinc/65/18/60/521651860.db2.gz ARNXSURRUJUSTA-PBHICJAKSA-N 0 3 299.418 2.604 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1C#N ZINC000336084710 521722634 /nfs/dbraw/zinc/72/26/34/521722634.db2.gz PPSRTCPHKXMEMN-CABCVRRESA-N 0 3 287.382 2.756 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361864777 521727156 /nfs/dbraw/zinc/72/71/56/521727156.db2.gz FEMACLIQHOMDBD-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000263660857 534611245 /nfs/dbraw/zinc/61/12/45/534611245.db2.gz JVEWQQLGRXJLDE-UHFFFAOYSA-N 0 3 272.392 2.733 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000233854159 522126542 /nfs/dbraw/zinc/12/65/42/522126542.db2.gz MMXPKALGVNNBSE-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN N#CCCCN[C@H](Cc1ccccn1)c1cccnc1 ZINC000346801240 534615654 /nfs/dbraw/zinc/61/56/54/534615654.db2.gz RWUWXHNVYUCWQD-MRXNPFEDSA-N 0 3 266.348 2.654 20 30 CFEDHN CN(CCC1CCOCC1)Cc1cccc(C#N)c1F ZINC000340926339 522717759 /nfs/dbraw/zinc/71/77/59/522717759.db2.gz SAQQWHZLERDPNP-UHFFFAOYSA-N 0 3 276.355 2.946 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192034232 523010352 /nfs/dbraw/zinc/01/03/52/523010352.db2.gz MSLMUEUGRUPKBR-HZPDHXFCSA-N 0 3 276.355 2.823 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H](CO)C(C)(C)C ZINC000192120430 523207977 /nfs/dbraw/zinc/20/79/77/523207977.db2.gz MQPGLFCBDGROAR-CQSZACIVSA-N 0 3 264.344 2.536 20 30 CFEDHN CN(Cc1ccc(CO)cc1)Cc1cccc(C#N)c1 ZINC000168735003 523219512 /nfs/dbraw/zinc/21/95/12/523219512.db2.gz LJJTZXBHZLVLIR-UHFFFAOYSA-N 0 3 266.344 2.683 20 30 CFEDHN Cn1c2ccccc2cc(CN[C@H]2CCC[C@@H](C#N)C2)c1=O ZINC000336106923 534712066 /nfs/dbraw/zinc/71/20/66/534712066.db2.gz QOFXJROAOGTZGY-CJNGLKHVSA-N 0 3 295.386 2.710 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F ZINC000361747690 523569716 /nfs/dbraw/zinc/56/97/16/523569716.db2.gz CXSCQFTYGQPGEH-UONOGXRCSA-N 0 3 262.328 2.745 20 30 CFEDHN Cc1[nH]cnc1CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352207363 534719229 /nfs/dbraw/zinc/71/92/29/534719229.db2.gz WTTZCZRVIPLESZ-OAHLLOKOSA-N 0 3 296.374 2.812 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000246376494 523647206 /nfs/dbraw/zinc/64/72/06/523647206.db2.gz OJQQPXIHYHGSQD-LCCAYYTGSA-N 0 3 296.461 2.789 20 30 CFEDHN COCCN(Cc1ccc(C#N)o1)[C@@H]1CC[C@@H](C)C1 ZINC000361643431 523744210 /nfs/dbraw/zinc/74/42/10/523744210.db2.gz MLOYXGKTTYFOGY-CHWSQXEVSA-N 0 3 262.353 2.788 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000234843783 523759486 /nfs/dbraw/zinc/75/94/86/523759486.db2.gz TWLHKQHHULVIQX-CHWSQXEVSA-N 0 3 262.328 2.600 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000234834232 523775145 /nfs/dbraw/zinc/77/51/45/523775145.db2.gz TWLHKQHHULVIQX-QWHCGFSZSA-N 0 3 262.328 2.600 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000227598686 523775491 /nfs/dbraw/zinc/77/54/91/523775491.db2.gz KAKSTTCXXPOQJH-UONOGXRCSA-N 0 3 262.328 2.600 20 30 CFEDHN CO[C@H](C)CN(Cc1ccc(C#N)c(F)c1)C(C)C ZINC000361825159 523878373 /nfs/dbraw/zinc/87/83/73/523878373.db2.gz JXNAWYLAIZUCBP-GFCCVEGCSA-N 0 3 264.344 2.943 20 30 CFEDHN CN1CC[C@@H](CNCc2ccc(C#N)o2)c2ccccc21 ZINC000174295983 523961708 /nfs/dbraw/zinc/96/17/08/523961708.db2.gz OWQKIYMSDFMACB-ZDUSSCGKSA-N 0 3 281.359 2.865 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F ZINC000361747688 523965578 /nfs/dbraw/zinc/96/55/78/523965578.db2.gz CXSCQFTYGQPGEH-KBPBESRZSA-N 0 3 262.328 2.745 20 30 CFEDHN CN1CCc2cc(CNCc3cccc(C#N)c3)ccc21 ZINC000050286707 523997127 /nfs/dbraw/zinc/99/71/27/523997127.db2.gz FXOIRPKYGIJFNG-UHFFFAOYSA-N 0 3 277.371 2.840 20 30 CFEDHN Cc1cc(CN[C@@H]2CCCc3cn[nH]c32)ccc1C#N ZINC000336426307 524772961 /nfs/dbraw/zinc/77/29/61/524772961.db2.gz FROCMEHLBBPFLF-OAHLLOKOSA-N 0 3 266.348 2.757 20 30 CFEDHN Cc1cccc(O[C@@H](C)CNCc2cc(C#N)n(C)c2)c1 ZINC000191213392 524776249 /nfs/dbraw/zinc/77/62/49/524776249.db2.gz KVXIXVQKZHPZIB-AWEZNQCLSA-N 0 3 283.375 2.762 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccncc1 ZINC000156163545 525452732 /nfs/dbraw/zinc/45/27/32/525452732.db2.gz VAQJVINHZKKTQB-CYBMUJFWSA-N 0 3 267.332 2.683 20 30 CFEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H](O)Cc1ccccc1 ZINC000305213314 525510546 /nfs/dbraw/zinc/51/05/46/525510546.db2.gz QIQMDQVWWDJJDQ-WBMJQRKESA-N 0 3 286.400 2.701 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCOC1 ZINC000162837942 525519102 /nfs/dbraw/zinc/51/91/02/525519102.db2.gz ZNUDCHZRHOGDQW-ZWNOBZJWSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@H](N[C@@H](CO)Cc1ccccc1)c1cccc(C#N)c1 ZINC000063218838 525542955 /nfs/dbraw/zinc/54/29/55/525542955.db2.gz QCKGUXAXDBDURA-KBXCAEBGSA-N 0 3 280.371 2.812 20 30 CFEDHN C[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000305834494 525554616 /nfs/dbraw/zinc/55/46/16/525554616.db2.gz PKSPMAVTESMNHB-VQISRLSMSA-N 0 3 262.328 2.651 20 30 CFEDHN C[C@@H](N[C@@H]1CCOC1(C)C)c1ccc(C#N)cc1F ZINC000334896564 525642217 /nfs/dbraw/zinc/64/22/17/525642217.db2.gz RIEIXTSJFZWDSU-QMTHXVAHSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@@H](C(=O)N(C)CC1(N(C)C)CCC1)c1cccc(C#N)c1 ZINC000360465464 526241871 /nfs/dbraw/zinc/24/18/71/526241871.db2.gz DQVRNISEBUUVAW-CQSZACIVSA-N 0 3 299.418 2.604 20 30 CFEDHN C=CCN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000109328220 526455619 /nfs/dbraw/zinc/45/56/19/526455619.db2.gz MQFTYNVZWYPDOK-CYBMUJFWSA-N 0 3 291.370 2.845 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](C(C)(C)C)C[C@H]2C)C1=O ZINC000347599801 526512112 /nfs/dbraw/zinc/51/21/12/526512112.db2.gz MERBXLULSXXMRK-KFWWJZLASA-N 0 3 278.440 2.920 20 30 CFEDHN N#Cc1c(Br)cccc1NCCN1CCCC1 ZINC000168529870 526517597 /nfs/dbraw/zinc/51/75/97/526517597.db2.gz YDAREDFHWPGIAJ-UHFFFAOYSA-N 0 3 294.196 2.828 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000106341270 526530461 /nfs/dbraw/zinc/53/04/61/526530461.db2.gz KNDRNIGZVRJNHG-UHFFFAOYSA-N 0 3 279.428 2.635 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](COCC)C1 ZINC000113939485 526540970 /nfs/dbraw/zinc/54/09/70/526540970.db2.gz VLWMHFDUJQOLIH-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H]3COCC[C@@H]32)ccc1F ZINC000336455142 526549694 /nfs/dbraw/zinc/54/96/94/526549694.db2.gz VAKMEQDFCPPEGD-BBRMVZONSA-N 0 3 274.339 2.698 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000106039101 526600175 /nfs/dbraw/zinc/60/01/75/526600175.db2.gz WWEIJJYRZOZALF-UHFFFAOYSA-N 0 3 294.345 2.735 20 30 CFEDHN N#Cc1ccc(CN2CCC3(C2)CCOCC3)cc1F ZINC000336085696 526611644 /nfs/dbraw/zinc/61/16/44/526611644.db2.gz IPZVSQDKTSJKPU-UHFFFAOYSA-N 0 3 274.339 2.700 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)s1 ZINC000336470966 526616469 /nfs/dbraw/zinc/61/64/69/526616469.db2.gz WLWRLFOZVFHWRR-ZDUSSCGKSA-N 0 3 276.405 2.868 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)s1 ZINC000336116596 526626742 /nfs/dbraw/zinc/62/67/42/526626742.db2.gz LPDZKFMCKPOQGP-LLVKDONJSA-N 0 3 270.357 2.582 20 30 CFEDHN N#Cc1ccc(OCCNCc2cccs2)cc1 ZINC000078668276 526675502 /nfs/dbraw/zinc/67/55/02/526675502.db2.gz LHEWDCXQQYVAIE-UHFFFAOYSA-N 0 3 258.346 2.788 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365161230 526709157 /nfs/dbraw/zinc/70/91/57/526709157.db2.gz JOVSXDSVCPNCLS-MJGOQNOKSA-N 0 3 292.382 2.944 20 30 CFEDHN N#Cc1cccc(OCCN2CCC(C(F)F)CC2)c1 ZINC000307885597 526726886 /nfs/dbraw/zinc/72/68/86/526726886.db2.gz UAAQCIDHAZCMSR-UHFFFAOYSA-N 0 3 280.318 2.914 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000334945748 526735537 /nfs/dbraw/zinc/73/55/37/526735537.db2.gz TWKOGVJRHYLLBU-HOTGVXAUSA-N 0 3 256.349 2.559 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000334978050 526735717 /nfs/dbraw/zinc/73/57/17/526735717.db2.gz XXJJSUDCOACIFA-IRXDYDNUSA-N 0 3 270.376 2.807 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000339507132 526737275 /nfs/dbraw/zinc/73/72/75/526737275.db2.gz KIEFABIIJIVYSX-OAGGEKHMSA-N 0 3 268.360 2.605 20 30 CFEDHN C=CCOCCCN(C)Cc1ccc(F)c(F)c1 ZINC000347968416 526748049 /nfs/dbraw/zinc/74/80/49/526748049.db2.gz RFFHQZRHRZKNKC-UHFFFAOYSA-N 0 3 255.308 2.989 20 30 CFEDHN C=CCOCCCN1CCN(Cc2ccccc2C)CC1 ZINC000347958049 526755321 /nfs/dbraw/zinc/75/53/21/526755321.db2.gz BIUFXXVCXGYNNA-UHFFFAOYSA-N 0 3 288.435 2.705 20 30 CFEDHN C=C(CNC(=O)NCCN(C)CCCC)c1ccccc1 ZINC000353302328 526870860 /nfs/dbraw/zinc/87/08/60/526870860.db2.gz IYKGIOALFLLIRU-UHFFFAOYSA-N 0 3 289.423 2.731 20 30 CFEDHN C=C1CCN(Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000353313134 526905432 /nfs/dbraw/zinc/90/54/32/526905432.db2.gz ZMFQYQRBCUCRBQ-UHFFFAOYSA-N 0 3 299.462 2.981 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](COC)C1 ZINC000353590259 526933202 /nfs/dbraw/zinc/93/32/02/526933202.db2.gz DFJKHAGLQXYRTL-AWEZNQCLSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCC1 ZINC000336209449 527047289 /nfs/dbraw/zinc/04/72/89/527047289.db2.gz PGCKTNSSCYKCIY-CABCVRRESA-N 0 3 276.424 2.818 20 30 CFEDHN C#CCOc1ccc(CNC[C@@H](c2ccco2)N(C)C)cc1 ZINC000113313142 527104914 /nfs/dbraw/zinc/10/49/14/527104914.db2.gz RKUONBHWBSXLCJ-KRWDZBQOSA-N 0 3 298.386 2.684 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCc1ccccn1 ZINC000106861299 527124456 /nfs/dbraw/zinc/12/44/56/527124456.db2.gz CRNKKFGJCSLGQK-UHFFFAOYSA-N 0 3 280.371 2.768 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000353274838 527124949 /nfs/dbraw/zinc/12/49/49/527124949.db2.gz PRPZQQNWKGVVPC-AWEZNQCLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@H](CC)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000367185887 527165187 /nfs/dbraw/zinc/16/51/87/527165187.db2.gz KNAMHLUPDNDACQ-SMDDNHRTSA-N 0 3 297.395 2.989 20 30 CFEDHN CC(C)(CNCc1cnc2ccc(C#N)cn12)OCC1CC1 ZINC000414515140 527173364 /nfs/dbraw/zinc/17/33/64/527173364.db2.gz KTUSQMLVOJNIBS-UHFFFAOYSA-N 0 3 298.390 2.501 20 30 CFEDHN Cn1cccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000194256076 527391835 /nfs/dbraw/zinc/39/18/35/527391835.db2.gz MABSUGJINYVDSF-UHFFFAOYSA-N 0 3 294.402 2.609 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000353582940 527444631 /nfs/dbraw/zinc/44/46/31/527444631.db2.gz VJAGHGACHNGRQT-HIFRSBDPSA-N 0 3 263.381 2.919 20 30 CFEDHN C=CCC[C@@H](NC[C@H]1CCCN1CCOC)c1ccco1 ZINC000356061801 527449932 /nfs/dbraw/zinc/44/99/32/527449932.db2.gz CSBBEQPZGWGFKK-HZPDHXFCSA-N 0 3 292.423 2.987 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000353570181 527594948 /nfs/dbraw/zinc/59/49/48/527594948.db2.gz DNHVXFVCLMWAAT-BZUAXINKSA-N 0 3 275.392 2.507 20 30 CFEDHN COC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000452104599 536525406 /nfs/dbraw/zinc/52/54/06/536525406.db2.gz NYFVPDDRBCEXLS-AWEZNQCLSA-N 0 3 288.391 2.815 20 30 CFEDHN CCCN(CCc1cccc(F)c1)C(=O)C(C)C#N ZINC000347108627 528105157 /nfs/dbraw/zinc/10/51/57/528105157.db2.gz OJETWNGEUDVTTH-LBPRGKRZSA-N 0 3 262.328 2.766 20 30 CFEDHN CC(C)C[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347039771 528356735 /nfs/dbraw/zinc/35/67/35/528356735.db2.gz QCPFXDCSTBVXQK-SMDDNHRTSA-N 0 3 284.363 2.926 20 30 CFEDHN CC(C)C[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347039768 528356839 /nfs/dbraw/zinc/35/68/39/528356839.db2.gz QCPFXDCSTBVXQK-BXUZGUMPSA-N 0 3 284.363 2.926 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000347533296 528363737 /nfs/dbraw/zinc/36/37/37/528363737.db2.gz NFLHUBAFWZGBJN-OAHLLOKOSA-N 0 3 291.420 2.551 20 30 CFEDHN CCOC(=O)C1(C)CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000354655784 528589530 /nfs/dbraw/zinc/58/95/30/528589530.db2.gz WOVNOUBFIJQMCK-ILTLLKDXSA-N 0 3 278.396 2.780 20 30 CFEDHN CCN(Cc1ccc(Cl)cc1)C(=O)C(C)C#N ZINC000347075566 528783941 /nfs/dbraw/zinc/78/39/41/528783941.db2.gz SNUJIWFNCRHJQV-SNVBAGLBSA-N 0 3 250.729 2.848 20 30 CFEDHN CCN(Cc1cccc(Cl)c1)C(=O)C(C)C#N ZINC000347062689 528804178 /nfs/dbraw/zinc/80/41/78/528804178.db2.gz GMMCFDFYBGXOIC-SNVBAGLBSA-N 0 3 250.729 2.848 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085801996 782167577 /nfs/dbraw/zinc/16/75/77/782167577.db2.gz IMCSKHBPXGOWTO-INIZCTEOSA-N 0 3 276.424 2.842 20 30 CFEDHN CCOC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000427873650 528980047 /nfs/dbraw/zinc/98/00/47/528980047.db2.gz GSYIVUTTXYKQLR-WDEREUQCSA-N 0 3 250.317 2.773 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@]1(C)CCCNC1=O ZINC000330264107 529271523 /nfs/dbraw/zinc/27/15/23/529271523.db2.gz XMLCSAFJSGHBAY-CJNGLKHVSA-N 0 3 295.427 2.964 20 30 CFEDHN CC[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)C1 ZINC000330180683 529312942 /nfs/dbraw/zinc/31/29/42/529312942.db2.gz GCMVJIHVZFPMFI-RDBSUJKOSA-N 0 3 290.411 2.670 20 30 CFEDHN CC[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330180683 529312943 /nfs/dbraw/zinc/31/29/43/529312943.db2.gz GCMVJIHVZFPMFI-RDBSUJKOSA-N 0 3 290.411 2.670 20 30 CFEDHN CCN1CCC(N(C)C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491449958 535454414 /nfs/dbraw/zinc/45/44/14/535454414.db2.gz SJXTVTUCURVHBE-HJWRWDBZSA-N 0 3 297.402 2.514 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1cccc(C#N)c1F ZINC000444775522 535768203 /nfs/dbraw/zinc/76/82/03/535768203.db2.gz ITZMIRUMUCEEHN-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN CN(C)C[C@H]1CCCCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000491533957 535956560 /nfs/dbraw/zinc/95/65/60/535956560.db2.gz SHFRPKQRFYYXST-OAGJVSPASA-N 0 3 297.402 2.514 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC000269456811 536639594 /nfs/dbraw/zinc/63/95/94/536639594.db2.gz XAROLAWAAHWWSM-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN COc1cc(CN2CCC[C@H]3COCC[C@H]32)ccc1C#N ZINC000442873942 536759342 /nfs/dbraw/zinc/75/93/42/536759342.db2.gz AIYOLLSLZADMKW-JKSUJKDBSA-N 0 3 286.375 2.568 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)cc1 ZINC000414543142 545569218 /nfs/dbraw/zinc/56/92/18/545569218.db2.gz ZESGNDLFWIYBRT-LSDHHAIUSA-N 0 3 297.345 2.890 20 30 CFEDHN CCc1cc(CNCc2ccc(N(C)CCC#N)cc2)n[nH]1 ZINC000738430036 574049364 /nfs/dbraw/zinc/04/93/64/574049364.db2.gz DVYSZHCUMYOFEX-UHFFFAOYSA-N 0 3 297.406 2.612 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccco1 ZINC000744029312 574049823 /nfs/dbraw/zinc/04/98/23/574049823.db2.gz QKALYQQZLVQBKG-YPMHNXCESA-N 0 3 282.299 2.731 20 30 CFEDHN CC(=CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(C)C ZINC000744038926 574049986 /nfs/dbraw/zinc/04/99/86/574049986.db2.gz DHQGHKJEAYGFNY-UCQJPZFISA-N 0 3 285.347 2.721 20 30 CFEDHN C#CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000753913425 574054326 /nfs/dbraw/zinc/05/43/26/574054326.db2.gz DPSHJGIDGRRXJA-UHFFFAOYSA-N 0 3 292.382 2.665 20 30 CFEDHN COc1cccc(N=NC2C[C@@H](C)N(C3CC3)C2)c1 ZINC000753954526 574058931 /nfs/dbraw/zinc/05/89/31/574058931.db2.gz DUJFIRGRSZKOOQ-LLVKDONJSA-N 0 3 259.353 2.720 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000736680543 574065045 /nfs/dbraw/zinc/06/50/45/574065045.db2.gz OAMAHZPJYXNZOY-RKDXNWHRSA-N 0 3 259.334 2.633 20 30 CFEDHN Cc1nc(Cl)cc(N=NC2CN(C(C)C)C[C@H]2C)n1 ZINC000754259476 574084796 /nfs/dbraw/zinc/08/47/96/574084796.db2.gz NTDKMJHBKQAVRM-SECBINFHSA-N 0 3 281.791 2.566 20 30 CFEDHN Cc1ccc(CNCc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000728711383 574105546 /nfs/dbraw/zinc/10/55/46/574105546.db2.gz BFIOJTYBRDFHTB-AWEZNQCLSA-N 0 3 281.359 2.971 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000754748694 574117900 /nfs/dbraw/zinc/11/79/00/574117900.db2.gz RHTUYAXBSQUYLU-ZDUSSCGKSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000754748694 574117903 /nfs/dbraw/zinc/11/79/03/574117903.db2.gz RHTUYAXBSQUYLU-ZDUSSCGKSA-N 0 3 291.391 2.598 20 30 CFEDHN C#CCCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000745738606 574124628 /nfs/dbraw/zinc/12/46/28/574124628.db2.gz VUMRPYHTHRTGLA-WBVHZDCISA-N 0 3 299.418 2.535 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@H]1CCCN(C)C1 ZINC000754864346 574125267 /nfs/dbraw/zinc/12/52/67/574125267.db2.gz FVGWTFKGDCSIMB-OAHLLOKOSA-N 0 3 283.460 2.988 20 30 CFEDHN C#CCN(CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000756911737 574133400 /nfs/dbraw/zinc/13/34/00/574133400.db2.gz DULYURMUXOUVCV-UHFFFAOYSA-N 0 3 288.347 2.851 20 30 CFEDHN C#CCN(CC)Cc1ccc(Br)cc1 ZINC000746134911 574136762 /nfs/dbraw/zinc/13/67/62/574136762.db2.gz XWNLYJMCCLSIQL-UHFFFAOYSA-N 0 3 252.155 2.904 20 30 CFEDHN C[C@H]1OCC[C@]1(C)NCc1cc(Cl)ccc1OCC#N ZINC000755171265 574144147 /nfs/dbraw/zinc/14/41/47/574144147.db2.gz ZLIDCDCPONTWFO-ABAIWWIYSA-N 0 3 294.782 2.899 20 30 CFEDHN C[C@@H]1OCC[C@@]1(C)NCc1cc(Cl)ccc1OCC#N ZINC000755171272 574144376 /nfs/dbraw/zinc/14/43/76/574144376.db2.gz ZLIDCDCPONTWFO-XHDPSFHLSA-N 0 3 294.782 2.899 20 30 CFEDHN CCCCCCCCN1CCN(c2cnn(C)c2)CC1 ZINC000746669346 574161678 /nfs/dbraw/zinc/16/16/78/574161678.db2.gz UGCYEXUJHGTANK-UHFFFAOYSA-N 0 3 278.444 2.903 20 30 CFEDHN CSCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000729070454 574167432 /nfs/dbraw/zinc/16/74/32/574167432.db2.gz VTCQNRKJAIZRSB-SECBINFHSA-N 0 3 296.779 2.740 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc(O)cc2)cc1 ZINC000733326925 574221667 /nfs/dbraw/zinc/22/16/67/574221667.db2.gz FMQACMHCPNXIOY-UHFFFAOYSA-N 0 3 267.328 2.694 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2ccccc2C)CC1 ZINC000729941704 574239769 /nfs/dbraw/zinc/23/97/69/574239769.db2.gz ALWVPFOIYCGOSW-UHFFFAOYSA-N 0 3 289.448 2.932 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)C2CC2)CC1 ZINC000729976930 574240828 /nfs/dbraw/zinc/24/08/28/574240828.db2.gz DJNUMHKVPBLFLX-CYBMUJFWSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)[C@H](CC(=O)C(C#N)c1nc(C)cs1)OCC ZINC000756504457 574242050 /nfs/dbraw/zinc/24/20/50/574242050.db2.gz OJTKFNPCJOJKHZ-YPMHNXCESA-N 0 3 278.377 2.999 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000740736561 574264840 /nfs/dbraw/zinc/26/48/40/574264840.db2.gz ZSXUTOFMPOZXNR-UHFFFAOYSA-N 0 3 290.794 2.558 20 30 CFEDHN CCCNC(=S)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000748779885 574266183 /nfs/dbraw/zinc/26/61/83/574266183.db2.gz FTQJRWDDSGFMMJ-CQSZACIVSA-N 0 3 296.484 2.645 20 30 CFEDHN COCCON=C1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000748789687 574266747 /nfs/dbraw/zinc/26/67/47/574266747.db2.gz NMZIHLCXTGBHRJ-CQSZACIVSA-N 0 3 276.380 2.690 20 30 CFEDHN CCCCCCCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000740888962 574272959 /nfs/dbraw/zinc/27/29/59/574272959.db2.gz UUXDLHRPEVAFLP-AWEZNQCLSA-N 0 3 275.458 2.713 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCCCC(C)C ZINC000749027219 574277370 /nfs/dbraw/zinc/27/73/70/574277370.db2.gz YMDAEAKBIAIZDZ-CYBMUJFWSA-N 0 3 264.369 2.604 20 30 CFEDHN C[C@H]1CC(N=Nc2ncnc3sccc32)CCN1C ZINC000741453910 574290732 /nfs/dbraw/zinc/29/07/32/574290732.db2.gz BOWYKGNVVGCTAS-VIFPVBQESA-N 0 3 275.381 2.573 20 30 CFEDHN C[C@H]1CC(=NN=c2sc3ccccc3n2C)CCN1C ZINC000741452127 574290805 /nfs/dbraw/zinc/29/08/05/574290805.db2.gz YLVGWAONJCKSRV-NSHDSACASA-N 0 3 288.420 2.611 20 30 CFEDHN CCN1CCC(=NNC(=S)Nc2ccccc2)[C@@H](C)C1 ZINC000741458833 574291405 /nfs/dbraw/zinc/29/14/05/574291405.db2.gz XADONFKFKOJCEH-LBPRGKRZSA-N 0 3 290.436 2.691 20 30 CFEDHN CCCCCCCCOCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000741721647 574300014 /nfs/dbraw/zinc/30/00/14/574300014.db2.gz AIWFWUOPIULWAW-HZPDHXFCSA-N 0 3 298.471 2.962 20 30 CFEDHN CC(C)CON=Cc1ccc(OCCN(C)C)cc1 ZINC000749632001 574303365 /nfs/dbraw/zinc/30/33/65/574303365.db2.gz UNGRNXBLSKDPEQ-UHFFFAOYSA-N 0 3 264.369 2.634 20 30 CFEDHN COc1cccc(CNCc2cc(C#N)ccc2F)c1O ZINC000742381828 574326794 /nfs/dbraw/zinc/32/67/94/574326794.db2.gz LZTCBXOKNCMAKW-UHFFFAOYSA-N 0 3 286.306 2.701 20 30 CFEDHN CCOc1ccc(O)c(CNCc2ccc(C#N)cc2)c1 ZINC000725845804 574327503 /nfs/dbraw/zinc/32/75/03/574327503.db2.gz MPCPVZNQABKCDP-UHFFFAOYSA-N 0 3 282.343 2.952 20 30 CFEDHN C[C@H]1CC(N=Nc2cccnn2)CCN1Cc1ccccc1 ZINC000735977216 574346222 /nfs/dbraw/zinc/34/62/22/574346222.db2.gz VVXLKYHIMJXHHD-AWEZNQCLSA-N 0 3 295.390 2.929 20 30 CFEDHN N=C(N)NN=C1CCCc2cc(SC(F)F)ccc21 ZINC000750912776 574362600 /nfs/dbraw/zinc/36/26/00/574362600.db2.gz QJVQCEVMQLWGBE-UHFFFAOYSA-N 0 3 284.335 2.525 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2cc(C)ccc2C)CC1 ZINC000743492961 574366890 /nfs/dbraw/zinc/36/68/90/574366890.db2.gz CKPXVCFKNGARKE-UHFFFAOYSA-N 0 3 284.403 2.521 20 30 CFEDHN N#CCOc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000751481451 574377697 /nfs/dbraw/zinc/37/76/97/574377697.db2.gz NBRRABMEVZTPCP-UHFFFAOYSA-N 0 3 296.374 2.692 20 30 CFEDHN CN(Cc1ccccc1)Cc1cccc(C(=O)OCC#N)c1 ZINC000751780521 574382820 /nfs/dbraw/zinc/38/28/20/574382820.db2.gz LRBFVABGIZNCJE-UHFFFAOYSA-N 0 3 294.354 2.999 20 30 CFEDHN C#CCSCCNCc1cnc(-c2ccccn2)s1 ZINC000753370620 574401851 /nfs/dbraw/zinc/40/18/51/574401851.db2.gz DPCDLXAICRFKPU-UHFFFAOYSA-N 0 3 289.429 2.661 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@H](C)NC(C)(C)CC)c1 ZINC000753795562 574410364 /nfs/dbraw/zinc/41/03/64/574410364.db2.gz ZWEDEYCZDVNZNN-LBPRGKRZSA-N 0 3 258.365 2.773 20 30 CFEDHN CN(C(=O)c1ccc(NC2=NCCC2)cc1)C1(C#N)CCC1 ZINC000900354529 620663702 /nfs/dbraw/zinc/66/37/02/620663702.db2.gz FCAPCYLORRBVKE-UHFFFAOYSA-N 0 3 296.374 2.809 20 30 CFEDHN CCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821056416 606694575 /nfs/dbraw/zinc/69/45/75/606694575.db2.gz QWJNIGCWSZFXSZ-UHFFFAOYSA-N 0 3 273.384 2.927 20 30 CFEDHN CCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821056416 606694576 /nfs/dbraw/zinc/69/45/76/606694576.db2.gz QWJNIGCWSZFXSZ-UHFFFAOYSA-N 0 3 273.384 2.927 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823888186 608520555 /nfs/dbraw/zinc/52/05/55/608520555.db2.gz GVDCRARZLHAIBP-IAQYHMDHSA-N 0 3 283.379 2.798 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823888186 608520556 /nfs/dbraw/zinc/52/05/56/608520556.db2.gz GVDCRARZLHAIBP-IAQYHMDHSA-N 0 3 283.379 2.798 20 30 CFEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000824764882 609142524 /nfs/dbraw/zinc/14/25/24/609142524.db2.gz ZMBRPHZTBGTFFZ-LBPRGKRZSA-N 0 3 296.378 2.553 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969954883 612994009 /nfs/dbraw/zinc/99/40/09/612994009.db2.gz VBYIUJKKEZDFJP-HZPDHXFCSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000983387421 613003400 /nfs/dbraw/zinc/00/34/00/613003400.db2.gz CLYVYRVBMPTLNB-IAGOWNOFSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000983387412 613003783 /nfs/dbraw/zinc/00/37/83/613003783.db2.gz CLYVYRVBMPTLNB-DLBZAZTESA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000981502967 613004973 /nfs/dbraw/zinc/00/49/73/613004973.db2.gz DORQVQHLLXASOW-SJORKVTESA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190374 613013172 /nfs/dbraw/zinc/01/31/72/613013172.db2.gz KHHDMYCQCXMSJE-WBVHZDCISA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588794 613013693 /nfs/dbraw/zinc/01/36/93/613013693.db2.gz NUZFXXJNRGPCDH-AEFFLSMTSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965946757 613015216 /nfs/dbraw/zinc/01/52/16/613015216.db2.gz RFCADNXDUAUFMQ-NVXWUHKLSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965860433 613015444 /nfs/dbraw/zinc/01/54/44/613015444.db2.gz JZFFUVZNNWQIRD-ZIAGYGMSSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190370 613022555 /nfs/dbraw/zinc/02/25/55/613022555.db2.gz KHHDMYCQCXMSJE-RDJZCZTQSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968424151 613023454 /nfs/dbraw/zinc/02/34/54/613023454.db2.gz ZFXSUIUABCWCFV-WFASDCNBSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588795 613024492 /nfs/dbraw/zinc/02/44/92/613024492.db2.gz NUZFXXJNRGPCDH-FUHWJXTLSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973039239 613030849 /nfs/dbraw/zinc/03/08/49/613030849.db2.gz HHCXYUDYUKOJJT-CQSZACIVSA-N 0 3 292.398 2.634 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977557851 613032611 /nfs/dbraw/zinc/03/26/11/613032611.db2.gz GXGIGPIYGFCVQI-QGZVFWFLSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975060776 613032614 /nfs/dbraw/zinc/03/26/14/613032614.db2.gz BJIMKAIDELEKLL-MRXNPFEDSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974569192 613032804 /nfs/dbraw/zinc/03/28/04/613032804.db2.gz GLWGYSZYCFOEQB-CQSZACIVSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977496015 613037245 /nfs/dbraw/zinc/03/72/45/613037245.db2.gz HXASRKSOQHYUPP-RDJZCZTQSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2CCCCCC2)CC1 ZINC000948239905 613161049 /nfs/dbraw/zinc/16/10/49/613161049.db2.gz AZFCZBKCEFPGPB-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C=C2CCCCC2)CC1 ZINC000948209886 613161240 /nfs/dbraw/zinc/16/12/40/613161240.db2.gz WLHUONYDFNJORR-QGZVFWFLSA-N 0 3 288.435 2.823 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cc(C)cs2)CC1 ZINC000948358181 613162723 /nfs/dbraw/zinc/16/27/23/613162723.db2.gz WAODZNYTHYOSSQ-CQSZACIVSA-N 0 3 290.432 2.616 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccccc2CC)CC1 ZINC000948722469 613163525 /nfs/dbraw/zinc/16/35/25/613163525.db2.gz PZIOUMWGWYIUDG-QGZVFWFLSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccccc2C)CC1 ZINC000948159344 613163572 /nfs/dbraw/zinc/16/35/72/613163572.db2.gz MOSLARNWIZNLPW-MRXNPFEDSA-N 0 3 284.403 2.555 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)C[C@H]1C ZINC000948008103 613222443 /nfs/dbraw/zinc/22/24/43/613222443.db2.gz ZQHSKGKPZBWHST-NVXWUHKLSA-N 0 3 298.430 2.567 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCCC2)C[C@H]1C ZINC000947399217 613222870 /nfs/dbraw/zinc/22/28/70/613222870.db2.gz DKVUBTCCZUHECH-HZPDHXFCSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](C)C1 ZINC000945365920 613223235 /nfs/dbraw/zinc/22/32/35/613223235.db2.gz MTNROCPNFWZNNX-ZIAGYGMSSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@@H]1C ZINC000947951811 613229237 /nfs/dbraw/zinc/22/92/37/613229237.db2.gz DPWDFUHSMOTNNJ-LUKYLMHMSA-N 0 3 290.451 2.805 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981741244 613240048 /nfs/dbraw/zinc/24/00/48/613240048.db2.gz 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C=CCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)C[C@H]1C ZINC000947993752 613752527 /nfs/dbraw/zinc/75/25/27/613752527.db2.gz HKTLKHUSHHMKKT-DGCLKSJQSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948083321 613753568 /nfs/dbraw/zinc/75/35/68/613753568.db2.gz RFDHZCLDAGXXOE-WDEREUQCSA-N 0 3 282.384 2.656 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2ccsc2C)C[C@@H]1C ZINC000947284920 613756545 /nfs/dbraw/zinc/75/65/45/613756545.db2.gz BLZPNNQSLNYPQU-WCQYABFASA-N 0 3 278.421 2.825 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000940832625 613785061 /nfs/dbraw/zinc/78/50/61/613785061.db2.gz ZWWUWCUFTGAOKY-CABCVRRESA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cs2)C[C@@H]1C ZINC000947287717 613787762 /nfs/dbraw/zinc/78/77/62/613787762.db2.gz ZTKGSLKNGLIFFD-STQMWFEESA-N 0 3 278.421 2.825 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)C[C@H]1C ZINC000947201282 613787817 /nfs/dbraw/zinc/78/78/17/613787817.db2.gz ZTOAPVBOWJRQDT-OCCSQVGLSA-N 0 3 276.380 2.665 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)C[C@@H]1C ZINC000947502939 613788895 /nfs/dbraw/zinc/78/88/95/613788895.db2.gz XEIGRAVZVRTOLR-JSGCOSHPSA-N 0 3 299.374 2.597 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)C[C@H]1C ZINC000947988531 613790119 /nfs/dbraw/zinc/79/01/19/613790119.db2.gz BLMHCTDIJDQNGS-CJNGLKHVSA-N 0 3 299.418 2.728 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(CC)s2)[C@@H](C)C1 ZINC000942313586 613790640 /nfs/dbraw/zinc/79/06/40/613790640.db2.gz JWDZGDBRGDQZKX-JSGCOSHPSA-N 0 3 292.448 2.937 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2F)C[C@@H]1C ZINC000947661912 613792357 /nfs/dbraw/zinc/79/23/57/613792357.db2.gz CNGWEBKYFDZVRZ-RYUDHWBXSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000940719320 613802073 /nfs/dbraw/zinc/80/20/73/613802073.db2.gz VQBKGNUTFAGBDJ-LBPRGKRZSA-N 0 3 296.411 2.904 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000961953154 613840408 /nfs/dbraw/zinc/84/04/08/613840408.db2.gz DZNBVRLLNALWKF-YPIIOCQESA-N 0 3 290.451 2.681 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2cccc(C)c2o1 ZINC000962837055 613841340 /nfs/dbraw/zinc/84/13/40/613841340.db2.gz SNDWXYXGXHTUOW-FOLVSLTJSA-N 0 3 296.370 2.587 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C1(C)CC1 ZINC000961747402 613843158 /nfs/dbraw/zinc/84/31/58/613843158.db2.gz XXHKXJCXZMIQQT-QLPKVWCKSA-N 0 3 296.414 2.584 20 30 CFEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C=C1CCC1 ZINC000960260740 613870941 /nfs/dbraw/zinc/87/09/41/613870941.db2.gz KPFRRAXRYNLAMH-SJLPKXTDSA-N 0 3 282.387 2.655 20 30 CFEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC000960257420 613870989 /nfs/dbraw/zinc/87/09/89/613870989.db2.gz YPGFTOBSPPPHAN-CSMYWGQOSA-N 0 3 284.403 2.590 20 30 CFEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C2CC2)CC1 ZINC000960275945 613871059 /nfs/dbraw/zinc/87/10/59/613871059.db2.gz JPYNMYWVXZKOBX-IAGOWNOFSA-N 0 3 296.414 2.734 20 30 CFEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C ZINC000960326586 613871089 /nfs/dbraw/zinc/87/10/89/613871089.db2.gz XBLXSSSGVWTBQF-HUUCEWRRSA-N 0 3 272.392 2.590 20 30 CFEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccsc1 ZINC000960243166 613871252 /nfs/dbraw/zinc/87/12/52/613871252.db2.gz WIJYICVCFOUVHW-HZPDHXFCSA-N 0 3 298.411 2.920 20 30 CFEDHN CC(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000941831698 613955920 /nfs/dbraw/zinc/95/59/20/613955920.db2.gz FFTDLHXNOINAKJ-YOEHRIQHSA-N 0 3 299.418 2.541 20 30 CFEDHN CC(C)C(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000960417320 614367026 /nfs/dbraw/zinc/36/70/26/614367026.db2.gz CMFVXZKZMLOSJG-KRWDZBQOSA-N 0 3 299.418 2.637 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001021007568 617906457 /nfs/dbraw/zinc/90/64/57/617906457.db2.gz YFNRSIKINWPFKU-SHTZXODSSA-N 0 3 292.810 2.906 20 30 CFEDHN CC[C@H](C)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000255109520 617964117 /nfs/dbraw/zinc/96/41/17/617964117.db2.gz VEGMPNBHYILGDE-AWEZNQCLSA-N 0 3 276.380 2.920 20 30 CFEDHN C#CCN(CCOCCC#N)[C@@H]1CCCc2ccccc21 ZINC000933421824 617624301 /nfs/dbraw/zinc/62/43/01/617624301.db2.gz XVLUHZPGTMQPGN-GOSISDBHSA-N 0 3 282.387 2.929 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(CC)ccn3)CCC[C@H]12 ZINC000990867265 620741881 /nfs/dbraw/zinc/74/18/81/620741881.db2.gz AFIYBUHCIGYSKF-WMZOPIPTSA-N 0 3 299.418 2.557 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001020524525 617689966 /nfs/dbraw/zinc/68/99/66/617689966.db2.gz UMZZNRJSWXQVNL-ZRJCITRHSA-N 0 3 284.831 2.802 20 30 CFEDHN C=CCN(Cc1ccccc1OCC(=O)OC)C(C)C ZINC000891675806 617705234 /nfs/dbraw/zinc/70/52/34/617705234.db2.gz YCJZIMHULHXMSQ-UHFFFAOYSA-N 0 3 277.364 2.635 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2ccnc(C)n2)c([O-])c1 ZINC000254977051 617707150 /nfs/dbraw/zinc/70/71/50/617707150.db2.gz CMIKCLOBIDRYKI-WQRHYEAKSA-N 0 3 298.390 2.956 20 30 CFEDHN CC(CN1CCCCCC1)=NOCCOC(C)C ZINC000812237699 617750794 /nfs/dbraw/zinc/75/07/94/617750794.db2.gz KNJVRDUBHJUJOP-UHFFFAOYSA-N 0 3 256.390 2.680 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001020618196 617749080 /nfs/dbraw/zinc/74/90/80/617749080.db2.gz OHGFEIHFIAKIAO-HDJSIYSDSA-N 0 3 292.810 2.906 20 30 CFEDHN CCOC(=O)CCN(Cc1csc(C#N)c1)CC1CC1 ZINC000891814205 617766858 /nfs/dbraw/zinc/76/68/58/617766858.db2.gz CANRFFHCQHGKPQ-UHFFFAOYSA-N 0 3 292.404 2.785 20 30 CFEDHN C#CCN(Cc1cn(CC)nc1C)C1CCCCC1 ZINC000891824322 617771193 /nfs/dbraw/zinc/77/11/93/617771193.db2.gz PEBPVFMXAXBRLS-UHFFFAOYSA-N 0 3 259.397 2.979 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CCOC1 ZINC000176080428 617827695 /nfs/dbraw/zinc/82/76/95/617827695.db2.gz WNNRVTOKVKRQJF-STQMWFEESA-N 0 3 297.358 2.566 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1csc(C#N)c1 ZINC000891948895 617845726 /nfs/dbraw/zinc/84/57/26/617845726.db2.gz JNMFAHAISDHVCB-UHFFFAOYSA-N 0 3 266.410 2.850 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001022556698 617903636 /nfs/dbraw/zinc/90/36/36/617903636.db2.gz AZGXCQNRBKHUKD-FRRDWIJNSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001021089100 617939265 /nfs/dbraw/zinc/93/92/65/617939265.db2.gz ANSWNAUXSIQQTC-HAQNSBGRSA-N 0 3 298.839 2.588 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001022644350 617970397 /nfs/dbraw/zinc/97/03/97/617970397.db2.gz MUPGGBAYDPFZLP-BETUJISGSA-N 0 3 284.831 2.946 20 30 CFEDHN CCCCOC(=O)CCN(C)Cc1cccc(C#N)c1 ZINC000051400907 617978700 /nfs/dbraw/zinc/97/87/00/617978700.db2.gz IHOXMLADXRWIKY-UHFFFAOYSA-N 0 3 274.364 2.723 20 30 CFEDHN COc1ccc([C@H]2CCCN2CCCSCC#N)nc1 ZINC000934348844 618010570 /nfs/dbraw/zinc/01/05/70/618010570.db2.gz IRXMVCYVHDBVQU-OAHLLOKOSA-N 0 3 291.420 2.874 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1CCOC12CCCC2 ZINC000934386960 618027144 /nfs/dbraw/zinc/02/71/44/618027144.db2.gz VHDXKEAZMXETKU-MRXNPFEDSA-N 0 3 255.361 2.729 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000051651176 618036120 /nfs/dbraw/zinc/03/61/20/618036120.db2.gz BDKROXAUQHYFPP-CJNGLKHVSA-N 0 3 298.386 2.948 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001022777614 618070179 /nfs/dbraw/zinc/07/01/79/618070179.db2.gz JMUZZJJWTPJSLZ-MJBXVCDLSA-N 0 3 296.773 2.687 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001022777613 618070287 /nfs/dbraw/zinc/07/02/87/618070287.db2.gz JMUZZJJWTPJSLZ-HZSPNIEDSA-N 0 3 296.773 2.687 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000128030110 618077570 /nfs/dbraw/zinc/07/75/70/618077570.db2.gz WRMXKSMCVAGPSY-BBRMVZONSA-N 0 3 274.364 2.588 20 30 CFEDHN C#Cc1ccc(NC(=O)[C@@H](CC)N(CC)CC)cc1 ZINC000891314201 618121399 /nfs/dbraw/zinc/12/13/99/618121399.db2.gz MIPRPSUJJBHGAN-OAHLLOKOSA-N 0 3 258.365 2.727 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCOCC3)C2)o1 ZINC000933088777 618153096 /nfs/dbraw/zinc/15/30/96/618153096.db2.gz NUTPKFMAPFJSLR-CQSZACIVSA-N 0 3 274.364 2.790 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCCCC2)C1 ZINC001021785560 618154503 /nfs/dbraw/zinc/15/45/03/618154503.db2.gz IWQWHGVZMNEXBG-BETUJISGSA-N 0 3 270.804 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC001023095129 618156839 /nfs/dbraw/zinc/15/68/39/618156839.db2.gz GEYLQNYOQFRREF-BETUJISGSA-N 0 3 295.814 2.672 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001021799161 618158927 /nfs/dbraw/zinc/15/89/27/618158927.db2.gz MIRZSBKJXYGCSQ-OKILXGFUSA-N 0 3 278.783 2.598 20 30 CFEDHN C[C@H]1CC(NN=Cc2ccc3c(c2)CCN3C)C[C@H](C)O1 ZINC000901308540 620782091 /nfs/dbraw/zinc/78/20/91/620782091.db2.gz UPVOMSNRQLPJID-STQMWFEESA-N 0 3 287.407 2.558 20 30 CFEDHN N#CC1(CCCN2CCOC[C@@H]2CC2CC2)CCOCC1 ZINC000933208438 618170168 /nfs/dbraw/zinc/17/01/68/618170168.db2.gz JELGUEDQELXBOR-INIZCTEOSA-N 0 3 292.423 2.588 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001023406206 618187685 /nfs/dbraw/zinc/18/76/85/618187685.db2.gz DGIJNUZFRRSJLC-INIZCTEOSA-N 0 3 298.430 2.885 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001023485715 618193125 /nfs/dbraw/zinc/19/31/25/618193125.db2.gz DMCQHCJQSLKPLU-ARFHVFGLSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc(F)c(Cl)c2)CCC1 ZINC000933299993 618193958 /nfs/dbraw/zinc/19/39/58/618193958.db2.gz YTKQENWJSSNCDC-UHFFFAOYSA-N 0 3 294.757 2.953 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)c2occc2Cl)C1 ZINC001023572113 618201168 /nfs/dbraw/zinc/20/11/68/618201168.db2.gz VSIFIQFPAVZRQH-NSHDSACASA-N 0 3 282.771 2.561 20 30 CFEDHN C=Cc1ccc(C(=O)NC[C@H]2CCCN(CC#CC)C2)cc1 ZINC001023604020 618204211 /nfs/dbraw/zinc/20/42/11/618204211.db2.gz HUKALFMHWHMDOR-QGZVFWFLSA-N 0 3 296.414 2.795 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC000935249683 618215784 /nfs/dbraw/zinc/21/57/84/618215784.db2.gz DJUSNXTZCHIZLQ-KGLIPLIRSA-N 0 3 252.402 2.720 20 30 CFEDHN C[C@H](C#N)OCCN(C)Cc1cccc(Br)c1 ZINC000310191726 618271084 /nfs/dbraw/zinc/27/10/84/618271084.db2.gz XMWYSSXQXUVQTM-LLVKDONJSA-N 0 3 297.196 2.810 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000894028349 618280722 /nfs/dbraw/zinc/28/07/22/618280722.db2.gz NUTXOWVVWXAGMY-SOUVJXGZSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001024299484 618288001 /nfs/dbraw/zinc/28/80/01/618288001.db2.gz LXEQIDONLAUVKQ-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccccc1F ZINC001024305648 618289816 /nfs/dbraw/zinc/28/98/16/618289816.db2.gz VZWRFRBLNAVLRL-AWEZNQCLSA-N 0 3 290.382 2.986 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001024295457 618290688 /nfs/dbraw/zinc/29/06/88/618290688.db2.gz JJHKJBKLVAASID-INIZCTEOSA-N 0 3 290.382 2.986 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024320582 618291593 /nfs/dbraw/zinc/29/15/93/618291593.db2.gz UHBPFLUZZFFGST-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ncccc1C ZINC001024380813 618302559 /nfs/dbraw/zinc/30/25/59/618302559.db2.gz SGJAEVDDLADOGJ-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C#CC1CCN(Cc2cnn(CC3CCC3)c2)CC1 ZINC000895117013 618318548 /nfs/dbraw/zinc/31/85/48/618318548.db2.gz ZDRKLEQORGZGNN-UHFFFAOYSA-N 0 3 257.381 2.528 20 30 CFEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001024546957 618359956 /nfs/dbraw/zinc/35/99/56/618359956.db2.gz GQKLSIVVPWJLST-OAHLLOKOSA-N 0 3 297.402 2.710 20 30 CFEDHN C=CCOCCNCc1ccc(OC)cc1OC(F)F ZINC000679487020 618390356 /nfs/dbraw/zinc/39/03/56/618390356.db2.gz WBXPTTATCSRZNN-UHFFFAOYSA-N 0 3 287.306 2.589 20 30 CFEDHN C[C@H]([NH2+][C@@H]1CCCN([O-])C1=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000895159816 618406893 /nfs/dbraw/zinc/40/68/93/618406893.db2.gz IMVZKKMRVKQWHU-UHIISALHSA-N 0 3 296.798 2.802 20 30 CFEDHN O=C1[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CCCN1[O-] ZINC000895162077 618409441 /nfs/dbraw/zinc/40/94/41/618409441.db2.gz WCRDVNWCMQQUNW-UXUKBGGZSA-N 0 3 294.782 2.556 20 30 CFEDHN COCCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000178845476 618422054 /nfs/dbraw/zinc/42/20/54/618422054.db2.gz JNYBOGRDPJOCER-NSHDSACASA-N 0 3 284.315 2.821 20 30 CFEDHN C#CC1(O)CCN(CCO[C@@H](CC)c2ccccc2)CC1 ZINC000931151745 618426844 /nfs/dbraw/zinc/42/68/44/618426844.db2.gz RRGYNTRINRMZRP-KRWDZBQOSA-N 0 3 287.403 2.614 20 30 CFEDHN C#CC1(O)CCN(CCO[C@H](CC)c2ccccc2)CC1 ZINC000931151746 618426985 /nfs/dbraw/zinc/42/69/85/618426985.db2.gz RRGYNTRINRMZRP-QGZVFWFLSA-N 0 3 287.403 2.614 20 30 CFEDHN C[C@@H](CCC#N)CNCc1cc(F)cnc1Cl ZINC000877555762 618427002 /nfs/dbraw/zinc/42/70/02/618427002.db2.gz AUYUTENTQFHALK-VIFPVBQESA-N 0 3 255.724 2.904 20 30 CFEDHN CN(C)[C@@H](CNCC#Cc1ccccc1)c1ccsc1 ZINC000892508380 618427886 /nfs/dbraw/zinc/42/78/86/618427886.db2.gz SBNBDEAPQDWNMN-KRWDZBQOSA-N 0 3 284.428 2.992 20 30 CFEDHN C=CCCCCC[C@@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895178325 618438866 /nfs/dbraw/zinc/43/88/66/618438866.db2.gz ZFKXGLSZQQXQLJ-NEPJUHHUSA-N 0 3 266.389 2.696 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001024777983 618468563 /nfs/dbraw/zinc/46/85/63/618468563.db2.gz SDHJJFFIDXYXCT-KRWDZBQOSA-N 0 3 298.430 2.911 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024804309 618474757 /nfs/dbraw/zinc/47/47/57/618474757.db2.gz CPSRWBFLGZJCAG-QGZVFWFLSA-N 0 3 288.435 2.727 20 30 CFEDHN COCCN(C)N=C(C)c1ccc(N2CCCCC2)cc1 ZINC000794969205 618496143 /nfs/dbraw/zinc/49/61/43/618496143.db2.gz XCXFTSRLSOQWHL-UHFFFAOYSA-N 0 3 289.423 2.979 20 30 CFEDHN C#CC1(O)CCN(Cc2c(C)cc(Cl)cc2C)CC1 ZINC000895384432 618561098 /nfs/dbraw/zinc/56/10/98/618561098.db2.gz NUJBYTOQIBKZNZ-UHFFFAOYSA-N 0 3 277.795 2.917 20 30 CFEDHN C#CC1(O)CCN(C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000895384423 618561340 /nfs/dbraw/zinc/56/13/40/618561340.db2.gz NKRVNZMXIOVISX-ZDUSSCGKSA-N 0 3 277.795 2.904 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCNC(=O)CC2(C)C)cc1 ZINC000895400324 618569755 /nfs/dbraw/zinc/56/97/55/618569755.db2.gz NYJZTPKVDJOMLM-UHFFFAOYSA-N 0 3 299.418 2.588 20 30 CFEDHN C#CCCCCCCN1CCc2nc(COC)ncc2C1 ZINC000895416884 618573520 /nfs/dbraw/zinc/57/35/20/618573520.db2.gz FZBGICIPVBDGNG-UHFFFAOYSA-N 0 3 287.407 2.565 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1c(C(F)(F)F)cnn1C ZINC000926742902 618623097 /nfs/dbraw/zinc/62/30/97/618623097.db2.gz UYWHMFPVFPICQK-SECBINFHSA-N 0 3 288.317 2.857 20 30 CFEDHN C#CCCCNCc1cc(O)ccc1Br ZINC000178168012 618629580 /nfs/dbraw/zinc/62/95/80/618629580.db2.gz WRNKHWGZIHZTIA-UHFFFAOYSA-N 0 3 268.154 2.658 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000850571960 618655137 /nfs/dbraw/zinc/65/51/37/618655137.db2.gz FUJZKUNWFQEDOP-ZYHUDNBSSA-N 0 3 269.772 2.855 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(N(C)C)ccn1 ZINC000926881310 618784205 /nfs/dbraw/zinc/78/42/05/618784205.db2.gz AFHDKYXEHYQSIV-LBPRGKRZSA-N 0 3 260.385 2.566 20 30 CFEDHN CC(C)CC[C@@](C)(O)CNCC#Cc1ccccc1 ZINC000892998401 618796695 /nfs/dbraw/zinc/79/66/95/618796695.db2.gz OOQLCCUICCOIKS-QGZVFWFLSA-N 0 3 259.393 2.815 20 30 CFEDHN C[C@](O)(CNCC#Cc1ccccc1)c1ccsc1 ZINC000893000685 618799231 /nfs/dbraw/zinc/79/92/31/618799231.db2.gz LUVNKGDSKZZDIH-INIZCTEOSA-N 0 3 271.385 2.597 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001020186501 618804419 /nfs/dbraw/zinc/80/44/19/618804419.db2.gz QVPLUBIVMGZOAZ-GHYVTOPFSA-N 0 3 284.831 2.802 20 30 CFEDHN N#CCC[C@@H](NC1CCS(=O)CC1)c1ccccc1 ZINC000893194503 618877617 /nfs/dbraw/zinc/87/76/17/618877617.db2.gz HEXPVGOXCJHGAU-XAUUPUKJSA-N 0 3 276.405 2.532 20 30 CFEDHN CC[C@H]1[C@@H](CO)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930607181 618888240 /nfs/dbraw/zinc/88/82/40/618888240.db2.gz LHRJLNAPUSCZEP-HIFRSBDPSA-N 0 3 278.783 2.804 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009077187 618977731 /nfs/dbraw/zinc/97/77/31/618977731.db2.gz VZNPYEQORFEZNF-ZDUSSCGKSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006713651 619002720 /nfs/dbraw/zinc/00/27/20/619002720.db2.gz HMAZKOUOFVONMQ-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000893878082 619233976 /nfs/dbraw/zinc/23/39/76/619233976.db2.gz NWXBGZFJLYQFTO-CABCVRRESA-N 0 3 287.407 2.696 20 30 CFEDHN C#Cc1ccc(CNCc2cc(C(=O)OC)c(CC)[nH]2)cc1 ZINC000894874303 619493562 /nfs/dbraw/zinc/49/35/62/619493562.db2.gz UAJRNBIUBNBYMG-UHFFFAOYSA-N 0 3 296.370 2.635 20 30 CFEDHN C#CCOc1ccccc1CNCCN(C)c1ccccc1 ZINC000237158717 619519773 /nfs/dbraw/zinc/51/97/73/619519773.db2.gz VCQIFUUBLYCXDZ-UHFFFAOYSA-N 0 3 294.398 2.925 20 30 CFEDHN Cc1noc2ncc(CNCC(C)(C)CC#N)cc12 ZINC000894984278 619522572 /nfs/dbraw/zinc/52/25/72/619522572.db2.gz FSCUAPJQRSRVGU-UHFFFAOYSA-N 0 3 258.325 2.561 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1Cc2ccccc2[C@H]1CC ZINC000895057719 619537688 /nfs/dbraw/zinc/53/76/88/619537688.db2.gz XAPWBVHMSDLVBZ-QGZVFWFLSA-N 0 3 299.418 2.618 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1csc(C#N)c1 ZINC000895662804 619578491 /nfs/dbraw/zinc/57/84/91/619578491.db2.gz NHLVVZQALSCFCB-UHFFFAOYSA-N 0 3 252.383 2.603 20 30 CFEDHN CN1Cc2ccccc2[C@@H]1CNCC#Cc1ccccc1 ZINC000895840324 619616355 /nfs/dbraw/zinc/61/63/55/619616355.db2.gz QIIRGZNNIPQVJS-IBGZPJMESA-N 0 3 276.383 2.814 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000896288011 619710980 /nfs/dbraw/zinc/71/09/80/619710980.db2.gz ZHRDVSYAJPCCEY-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN O[C@H]1C[C@](CNCC#Cc2ccccc2)(c2ccccc2)C1 ZINC000896451803 619737066 /nfs/dbraw/zinc/73/70/66/619737066.db2.gz IJIZKZMUFGZWMZ-MXVIHJGJSA-N 0 3 291.394 2.720 20 30 CFEDHN C=CCOc1cccc(CN2CCO[C@@H](C)CC2)c1 ZINC000896586263 619768073 /nfs/dbraw/zinc/76/80/73/619768073.db2.gz YXHTUSMEEVLKAZ-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN C=C1CCC(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC000896665909 619787179 /nfs/dbraw/zinc/78/71/79/619787179.db2.gz LKBIXJSYTXZPCM-HZPDHXFCSA-N 0 3 291.439 2.611 20 30 CFEDHN N#Cc1ccc(C2CCN(c3ccnc(CO)c3)CC2)cc1 ZINC000896864967 619850128 /nfs/dbraw/zinc/85/01/28/619850128.db2.gz POMRTYBBEVLUES-UHFFFAOYSA-N 0 3 293.370 2.830 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@H](OCC)C2)cc1 ZINC000897067962 619924329 /nfs/dbraw/zinc/92/43/29/619924329.db2.gz GFFIKAGNFQRBIM-KRWDZBQOSA-N 0 3 273.376 2.700 20 30 CFEDHN C#CCN(Cc1ccnc2c(C(=O)OC)cccc12)C(C)C ZINC000897170755 619943996 /nfs/dbraw/zinc/94/39/96/619943996.db2.gz HBMXMHGTAVGQGY-UHFFFAOYSA-N 0 3 296.370 2.865 20 30 CFEDHN C#CCC1(NCc2ccnc(Cl)c2F)CCC1 ZINC000897351187 620014003 /nfs/dbraw/zinc/01/40/03/620014003.db2.gz VWQJBMFPWUBJKL-UHFFFAOYSA-N 0 3 252.720 2.910 20 30 CFEDHN C=CCC[C@H](CCC)NCc1noc2c1COCC2 ZINC000897365910 620063891 /nfs/dbraw/zinc/06/38/91/620063891.db2.gz HJBFAWMLBGMSRO-LBPRGKRZSA-N 0 3 264.369 2.972 20 30 CFEDHN C=CCC[C@@H](CCC)NCc1noc2c1COCC2 ZINC000897365909 620063915 /nfs/dbraw/zinc/06/39/15/620063915.db2.gz HJBFAWMLBGMSRO-GFCCVEGCSA-N 0 3 264.369 2.972 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)N[C@H](C)c1cncs1 ZINC000897931046 620302137 /nfs/dbraw/zinc/30/21/37/620302137.db2.gz VFGFWFIFTSIKBE-VXGBXAGGSA-N 0 3 279.409 2.893 20 30 CFEDHN Cn1nc(CNC2CCC(C#N)CC2)cc1C(F)(F)F ZINC000898021169 620324167 /nfs/dbraw/zinc/32/41/67/620324167.db2.gz XECREOSTQNPXKV-UHFFFAOYSA-N 0 3 286.301 2.611 20 30 CFEDHN CC1(C)CCN(CCNCc2cccc(F)c2C#N)C1 ZINC000898033807 620326879 /nfs/dbraw/zinc/32/68/79/620326879.db2.gz CUTFGCIBEXABDH-UHFFFAOYSA-N 0 3 275.371 2.519 20 30 CFEDHN COC1(CNCc2cccc(C#N)n2)CCCCCC1 ZINC000898262094 620360722 /nfs/dbraw/zinc/36/07/22/620360722.db2.gz XXIOYZNYLOMXCM-UHFFFAOYSA-N 0 3 273.380 2.782 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000989708644 620386943 /nfs/dbraw/zinc/38/69/43/620386943.db2.gz VMXXWGZRQNSAQG-WMLDXEAASA-N 0 3 298.430 2.810 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H](C)c2ccccc2C)CC1 ZINC000989719642 620387872 /nfs/dbraw/zinc/38/78/72/620387872.db2.gz KGPCUDALLDYVFA-QGZVFWFLSA-N 0 3 298.430 2.656 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2oc3ccccc3c2C)C1 ZINC000989756718 620391654 /nfs/dbraw/zinc/39/16/54/620391654.db2.gz YUAZQRIEJYHAFI-GXTWGEPZSA-N 0 3 296.370 2.567 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989933360 620403564 /nfs/dbraw/zinc/40/35/64/620403564.db2.gz YLNAIPOLTQUXLT-WBVHZDCISA-N 0 3 288.391 2.891 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)CC3CCCCC3)CCC[C@@H]12 ZINC000989936201 620404393 /nfs/dbraw/zinc/40/43/93/620404393.db2.gz RYUXELPYYQPNGC-AEFFLSMTSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)oc3C)CCC[C@@H]12 ZINC000989945584 620404662 /nfs/dbraw/zinc/40/46/62/620404662.db2.gz NRQRCCWSAWQRJT-NVXWUHKLSA-N 0 3 288.391 2.809 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccoc3)CCC[C@H]12 ZINC000989952130 620404994 /nfs/dbraw/zinc/40/49/94/620404994.db2.gz ZITNDGGBRVIARO-HOCLYGCPSA-N 0 3 274.364 2.583 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3oc(C)cc3C)CCC[C@H]12 ZINC000990119678 620409420 /nfs/dbraw/zinc/40/94/20/620409420.db2.gz DPLLPDFTSIQTPY-WMLDXEAASA-N 0 3 288.391 2.809 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990611533 620434921 /nfs/dbraw/zinc/43/49/21/620434921.db2.gz FOWYHKWRCLJDPB-FUHWJXTLSA-N 0 3 286.419 2.623 20 30 CFEDHN C#CCN(C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000071088592 625451654 /nfs/dbraw/zinc/45/16/54/625451654.db2.gz QUPMUOHEMGXOAX-KRWDZBQOSA-N 0 3 297.398 2.923 20 30 CFEDHN CCCC[C@H](COC)N[C@H](C)c1cc(C#N)ccn1 ZINC000902808075 621175571 /nfs/dbraw/zinc/17/55/71/621175571.db2.gz BNXBXBALOLREKI-TZMCWYRMSA-N 0 3 261.369 2.809 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902809340 621184241 /nfs/dbraw/zinc/18/42/41/621184241.db2.gz KYUWJVRYGJSYPT-NVGCLXPQSA-N 0 3 299.349 2.865 20 30 CFEDHN CC(C)CC[C@](C)(O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902814309 621185119 /nfs/dbraw/zinc/18/51/19/621185119.db2.gz CDSWTLYIRXVNOG-CJNGLKHVSA-N 0 3 275.396 2.791 20 30 CFEDHN C[C@@H](N[C@@H](CO)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902874363 621194699 /nfs/dbraw/zinc/19/46/99/621194699.db2.gz FFJIMPKIZJCKEP-WBMJQRKESA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)Cc1ccccc1 ZINC000902885034 621199092 /nfs/dbraw/zinc/19/90/92/621199092.db2.gz SJTFDLCCQXXMKI-IYOUNJFTSA-N 0 3 295.386 2.596 20 30 CFEDHN C[C@@H](NC[C@@H](O)CCc1ccccc1)c1cc(C#N)ccn1 ZINC000902950260 621212516 /nfs/dbraw/zinc/21/25/16/621212516.db2.gz GIDROAGHKCPNAU-PBHICJAKSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@H](NCC[C@@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902964276 621215854 /nfs/dbraw/zinc/21/58/54/621215854.db2.gz LDKOOSBRUAMWLS-KBXCAEBGSA-N 0 3 295.386 2.902 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)c1ccccc1 ZINC000902995176 621217609 /nfs/dbraw/zinc/21/76/09/621217609.db2.gz WDQVGQWWWKKMMP-AHIWAGSCSA-N 0 3 281.359 2.726 20 30 CFEDHN C[C@@H](NC[C@H](CO)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000903019099 621223062 /nfs/dbraw/zinc/22/30/62/621223062.db2.gz KEPSUZNXFMJTFF-IUODEOHRSA-N 0 3 299.349 2.519 20 30 CFEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)C(=O)OC(C)(C)C ZINC000903043053 621232671 /nfs/dbraw/zinc/23/26/71/621232671.db2.gz OGBPONPKXOACIO-VXGBXAGGSA-N 0 3 289.379 2.582 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ncccn2)C1 ZINC000903023625 621233753 /nfs/dbraw/zinc/23/37/53/621233753.db2.gz OYOIDJYAWJNFLZ-CJNGLKHVSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1cc(C#N)ccn1 ZINC000903054576 621235181 /nfs/dbraw/zinc/23/51/81/621235181.db2.gz MTWBBIKJDIMRNB-SKDRFNHKSA-N 0 3 265.307 2.895 20 30 CFEDHN CC[C@H](N[C@H](C)[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000903077210 621244205 /nfs/dbraw/zinc/24/42/05/621244205.db2.gz FUBHZIXYQUVSIX-ICCXJUOJSA-N 0 3 286.297 2.911 20 30 CFEDHN C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cc(C#N)ccn1 ZINC000903084798 621246667 /nfs/dbraw/zinc/24/66/67/621246667.db2.gz JVNWNZTZECUYHT-PCBIJLKTSA-N 0 3 271.364 2.561 20 30 CFEDHN N#CC1(CNC2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC000903109740 621256841 /nfs/dbraw/zinc/25/68/41/621256841.db2.gz UDDQKCHZXILZCF-UHFFFAOYSA-N 0 3 290.329 2.896 20 30 CFEDHN CC[C@@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1 ZINC000903095226 621258588 /nfs/dbraw/zinc/25/85/88/621258588.db2.gz SWPQICPUEHOWQL-IAGOWNOFSA-N 0 3 297.402 2.610 20 30 CFEDHN COc1cc([C@H](C)NCC2(CC#N)CC2)cc([N+](=O)[O-])c1 ZINC000903166271 621272603 /nfs/dbraw/zinc/27/26/03/621272603.db2.gz ATQWEABHWZCUEX-NSHDSACASA-N 0 3 289.335 2.948 20 30 CFEDHN CC[C@@H](N[C@@H]1CCCN(CC)C1=O)c1cccc(C#N)c1 ZINC000903389163 621359672 /nfs/dbraw/zinc/35/96/72/621359672.db2.gz TVOITBYGOZKIGD-HZPDHXFCSA-N 0 3 285.391 2.610 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(CCO)cc1)CC2 ZINC000903403910 621369847 /nfs/dbraw/zinc/36/98/47/621369847.db2.gz VURCQOBSJGCJRL-IBGZPJMESA-N 0 3 292.382 2.870 20 30 CFEDHN CC1/C(=C/c2ccccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905080269 621690891 /nfs/dbraw/zinc/69/08/91/621690891.db2.gz JQTYLLRYCAIULN-ZEVOCZHWSA-N 0 3 295.342 2.908 20 30 CFEDHN CC1/C(=C/c2ccccc2C2CC2)C(=O)c2ncnn21 ZINC000905082395 621691376 /nfs/dbraw/zinc/69/13/76/621691376.db2.gz VYYVYGXWVZLBLP-DOQDJBIESA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C\c2cccc3c2OC(C)(C)C3)C(=O)c2ncnn21 ZINC000905082272 621691578 /nfs/dbraw/zinc/69/15/78/621691578.db2.gz VEDJFYKDWVYMFA-SRMXYGTFSA-N 0 3 295.342 2.833 20 30 CFEDHN Cc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905082928 621691788 /nfs/dbraw/zinc/69/17/88/621691788.db2.gz YOQIBBIWRJXAMG-HKMIMPICSA-N 0 3 253.305 2.736 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@H](O)CCc2ccccc2)c1 ZINC000905518655 621788432 /nfs/dbraw/zinc/78/84/32/621788432.db2.gz NKWPDXNRSQZQRW-QGZVFWFLSA-N 0 3 298.361 2.781 20 30 CFEDHN CCCN(CCN(C)C)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906580845 622014615 /nfs/dbraw/zinc/01/46/15/622014615.db2.gz SHJYWDMPRIDGNA-VMBOVVBDSA-N 0 3 291.439 2.507 20 30 CFEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccnnc1 ZINC000924809209 622043155 /nfs/dbraw/zinc/04/31/55/622043155.db2.gz AJAGEZZILKHHOF-CYBMUJFWSA-N 0 3 298.415 2.932 20 30 CFEDHN CC[C@H](CC#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907388588 622120266 /nfs/dbraw/zinc/12/02/66/622120266.db2.gz QAUZNXDZKWXJCC-CYBMUJFWSA-N 0 3 284.363 2.713 20 30 CFEDHN CC1(C)C[C@]1(C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908299189 622215949 /nfs/dbraw/zinc/21/59/49/622215949.db2.gz MXYLFMDNZURJID-QGZVFWFLSA-N 0 3 296.374 2.713 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910281380 622424559 /nfs/dbraw/zinc/42/45/59/622424559.db2.gz XKJHWIWNUWYZMB-ZFWWWQNUSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCC34CC4)CCC[C@@H]12 ZINC000991362615 622603103 /nfs/dbraw/zinc/60/31/03/622603103.db2.gz RUJFMNYHLITPDT-HDMKZQKVSA-N 0 3 288.435 2.866 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(C)cc1 ZINC000912006637 622607207 /nfs/dbraw/zinc/60/72/07/622607207.db2.gz AJNMKQHCQFAGST-HNNXBMFYSA-N 0 3 260.381 2.637 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1C ZINC000912045236 622617766 /nfs/dbraw/zinc/61/77/66/622617766.db2.gz NQAJPRREGMXARH-DZGCQCFKSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000912200338 622659746 /nfs/dbraw/zinc/65/97/46/622659746.db2.gz ILVUZJSXNKTJNM-DLBZAZTESA-N 0 3 286.419 2.904 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000912230874 622666129 /nfs/dbraw/zinc/66/61/29/622666129.db2.gz KADKZXHOVMFYLN-XJKSGUPXSA-N 0 3 290.407 2.898 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000912443325 622711074 /nfs/dbraw/zinc/71/10/74/622711074.db2.gz XQYGXCZAHKZYHV-JKSUJKDBSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CCc1cc(CN2CCC(C#N)CC2)c(O)c(OC)c1 ZINC000164228153 622942176 /nfs/dbraw/zinc/94/21/76/622942176.db2.gz QGUXIKJENTWNGT-UHFFFAOYSA-N 0 3 286.375 2.865 20 30 CFEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156489724 622945202 /nfs/dbraw/zinc/94/52/02/622945202.db2.gz MCZADWATWDGASR-OLZOCXBDSA-N 0 3 290.388 2.784 20 30 CFEDHN C#CCCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000821630633 622957324 /nfs/dbraw/zinc/95/73/24/622957324.db2.gz FULZMFPBCKIOKP-INIZCTEOSA-N 0 3 284.403 2.700 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](O)CC(C)C ZINC000224262998 623000005 /nfs/dbraw/zinc/00/00/05/623000005.db2.gz ATTSZFHDPNIAGN-HNNXBMFYSA-N 0 3 263.381 2.748 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000821953451 623012099 /nfs/dbraw/zinc/01/20/99/623012099.db2.gz QCXSTPNJDGKPCE-OAHLLOKOSA-N 0 3 271.364 2.564 20 30 CFEDHN C=C(C)CN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652815 623171713 /nfs/dbraw/zinc/17/17/13/623171713.db2.gz XZEFYKORMMZNDT-ZDUSSCGKSA-N 0 3 268.401 2.894 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCCCC)CC1 ZINC000171719905 623239035 /nfs/dbraw/zinc/23/90/35/623239035.db2.gz XYIOTRYNRXGPEJ-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000171776964 623241819 /nfs/dbraw/zinc/24/18/19/623241819.db2.gz NEYDYHNDHWEAGU-GOEBONIOSA-N 0 3 298.386 2.730 20 30 CFEDHN C#CCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184709484 625637080 /nfs/dbraw/zinc/63/70/80/625637080.db2.gz UNOPHMRHRXPXEL-UHFFFAOYSA-N 0 3 253.729 2.557 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccc(F)cn1 ZINC000823618194 623363742 /nfs/dbraw/zinc/36/37/42/623363742.db2.gz PKPNTEHNZNMGBY-SJCJKPOMSA-N 0 3 299.349 2.819 20 30 CFEDHN Cc1c(CNCC2(CC#N)CC2)cccc1[N+](=O)[O-] ZINC000231885230 623373207 /nfs/dbraw/zinc/37/32/07/623373207.db2.gz ICBMJAXEVQOPII-UHFFFAOYSA-N 0 3 259.309 2.687 20 30 CFEDHN Cc1ncsc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173963673 623376704 /nfs/dbraw/zinc/37/67/04/623376704.db2.gz VXZWXPFRDRFKNW-LBPRGKRZSA-N 0 3 299.355 2.721 20 30 CFEDHN Cc1ncsc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000173963679 623376727 /nfs/dbraw/zinc/37/67/27/623376727.db2.gz VXZWXPFRDRFKNW-GFCCVEGCSA-N 0 3 299.355 2.721 20 30 CFEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173936516 623377373 /nfs/dbraw/zinc/37/73/73/623377373.db2.gz WSQLGKQRNGMAPG-KGLIPLIRSA-N 0 3 278.396 2.924 20 30 CFEDHN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173936450 623377953 /nfs/dbraw/zinc/37/79/53/623377953.db2.gz WSQLGKQRNGMAPG-ZIAGYGMSSA-N 0 3 278.396 2.924 20 30 CFEDHN C#CCCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000174273211 623408373 /nfs/dbraw/zinc/40/83/73/623408373.db2.gz PXHHDZRTTAKXAS-MRXNPFEDSA-N 0 3 272.392 2.599 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894478 623415438 /nfs/dbraw/zinc/41/54/38/623415438.db2.gz RFSKTEFJWZDLSO-GFCCVEGCSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894478 623415442 /nfs/dbraw/zinc/41/54/42/623415442.db2.gz RFSKTEFJWZDLSO-GFCCVEGCSA-N 0 3 271.368 2.701 20 30 CFEDHN CC1(C#N)CCC(NCc2cn(-c3ccccc3)nn2)CC1 ZINC000824107895 623453878 /nfs/dbraw/zinc/45/38/78/623453878.db2.gz ISBFYIMFKKMZSV-UHFFFAOYSA-N 0 3 295.390 2.829 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2N(CC=C)CC3)cc1 ZINC000992100105 623455555 /nfs/dbraw/zinc/45/55/55/623455555.db2.gz PLRBCDGTVIYARE-HKUYNNGSSA-N 0 3 294.398 2.581 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992124409 623462028 /nfs/dbraw/zinc/46/20/28/623462028.db2.gz ZZJKHZJAKJZQMI-CKEIUWERSA-N 0 3 276.424 2.722 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@H]12 ZINC000992125239 623462064 /nfs/dbraw/zinc/46/20/64/623462064.db2.gz CTWBGSNAVZBXOC-RVKKMQEKSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992157391 623472933 /nfs/dbraw/zinc/47/29/33/623472933.db2.gz AIKRPDZBILVJDY-KCYZZUKISA-N 0 3 276.424 2.722 20 30 CFEDHN C=C1CCN(C[C@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000929604494 623490959 /nfs/dbraw/zinc/49/09/59/623490959.db2.gz RPMUUMMAHLYLJY-OAHLLOKOSA-N 0 3 259.349 2.651 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000824368671 623496642 /nfs/dbraw/zinc/49/66/42/623496642.db2.gz TXQFNMWNMIWSPB-DLBZAZTESA-N 0 3 297.402 2.613 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929698462 623515613 /nfs/dbraw/zinc/51/56/13/623515613.db2.gz MMKOKOATFVGMOJ-GJZGRUSLSA-N 0 3 273.380 2.589 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3(F)CCCCC3)CCC[C@H]12 ZINC000992377847 623528666 /nfs/dbraw/zinc/52/86/66/623528666.db2.gz IRLQYAKWWZBDCV-WMLDXEAASA-N 0 3 294.414 2.958 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](OC)C(C)(C)C1 ZINC000824820476 623572253 /nfs/dbraw/zinc/57/22/53/623572253.db2.gz GGBNTMWKVDADCR-QGZVFWFLSA-N 0 3 287.403 2.946 20 30 CFEDHN C#Cc1cccc(CNCc2ccc(OCCOC)cc2)c1 ZINC000825225912 623652760 /nfs/dbraw/zinc/65/27/60/623652760.db2.gz BHHRTYYNDDUGNA-UHFFFAOYSA-N 0 3 295.382 2.983 20 30 CFEDHN C#CCOc1ccccc1CN1CC(C)(C)[C@H]2COC[C@H]21 ZINC000825331647 623674706 /nfs/dbraw/zinc/67/47/06/623674706.db2.gz JSARVFLJSOCYNW-JKSUJKDBSA-N 0 3 285.387 2.555 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993051463 623871520 /nfs/dbraw/zinc/87/15/20/623871520.db2.gz SEKYDBISHBSOSU-CZUORRHYSA-N 0 3 288.391 2.502 20 30 CFEDHN C[C@@H](CC#N)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834965817 623911599 /nfs/dbraw/zinc/91/15/99/623911599.db2.gz WIMKNWMNQAZBEN-FTLWCTJLSA-N 0 3 256.353 2.643 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnc([C@@H](C)O)s2)C1 ZINC000826948469 623914149 /nfs/dbraw/zinc/91/41/49/623914149.db2.gz ZCOSSZDAUXSGHZ-NEPJUHHUSA-N 0 3 266.410 2.985 20 30 CFEDHN C#CCNN=C(C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000835006892 623930626 /nfs/dbraw/zinc/93/06/26/623930626.db2.gz GAGCBMUNBMJVKM-UHFFFAOYSA-N 0 3 299.418 2.628 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ncccc2C)[C@H]1C ZINC000993171449 623974848 /nfs/dbraw/zinc/97/48/48/623974848.db2.gz PSDHPIQDOGIUQZ-HUUCEWRRSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cncc(C)c2)[C@H]1C ZINC000993176649 623979180 /nfs/dbraw/zinc/97/91/80/623979180.db2.gz BXZKKCNUFZTSCF-ZBFHGGJFSA-N 0 3 287.407 2.549 20 30 CFEDHN CCN(C(=O)CN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000915217621 623999368 /nfs/dbraw/zinc/99/93/68/623999368.db2.gz WZBTYCVJARRBEY-AWEZNQCLSA-N 0 3 285.391 2.564 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000827458613 624008568 /nfs/dbraw/zinc/00/85/68/624008568.db2.gz AYMCBNJNNDOVMR-MRXNPFEDSA-N 0 3 297.402 2.613 20 30 CFEDHN C#C[C@H](NCc1ccc(Cl)s1)C1CCOCC1 ZINC000827569830 624034825 /nfs/dbraw/zinc/03/48/25/624034825.db2.gz GUZYGBXSKJGEOA-LBPRGKRZSA-N 0 3 269.797 2.920 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993224323 624052979 /nfs/dbraw/zinc/05/29/79/624052979.db2.gz DPJPJOIYFGZYDL-ZFWWWQNUSA-N 0 3 262.397 2.642 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993239422 624056280 /nfs/dbraw/zinc/05/62/80/624056280.db2.gz VSWDRPDNMOYONG-DZGCQCFKSA-N 0 3 292.398 2.776 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993309195 624077421 /nfs/dbraw/zinc/07/74/21/624077421.db2.gz YJGUIYCABTWRNY-DOTOQJQBSA-N 0 3 288.435 2.869 20 30 CFEDHN C#CCOc1ccc(CN(C)CC2=CCSC2)cc1 ZINC000827806727 624098114 /nfs/dbraw/zinc/09/81/14/624098114.db2.gz WATAPEKXWLAVLD-UHFFFAOYSA-N 0 3 273.401 2.804 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2csnc2C)C1 ZINC001007152258 624099588 /nfs/dbraw/zinc/09/95/88/624099588.db2.gz ZXSSZVFTSMTLDJ-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993381093 624128790 /nfs/dbraw/zinc/12/87/90/624128790.db2.gz NCYJRSCPKHNIJD-WBVHZDCISA-N 0 3 286.419 2.830 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccns2)[C@H]1C ZINC000993392417 624129972 /nfs/dbraw/zinc/12/99/72/624129972.db2.gz HYFNQQSKHIMFIK-CHWSQXEVSA-N 0 3 293.436 2.692 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC000993567627 624151900 /nfs/dbraw/zinc/15/19/00/624151900.db2.gz KTFJHUPXWRCNKD-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993654289 624156451 /nfs/dbraw/zinc/15/64/51/624156451.db2.gz FKXIDDGVMSFYCO-ZBFHGGJFSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993704168 624163197 /nfs/dbraw/zinc/16/31/97/624163197.db2.gz PZNKTSHDOOZQRT-YJBOKZPZSA-N 0 3 298.430 2.855 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC000994035389 624177353 /nfs/dbraw/zinc/17/73/53/624177353.db2.gz FOGXNXMEQOAIJK-GDBMZVCRSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015737729 624276040 /nfs/dbraw/zinc/27/60/40/624276040.db2.gz QTKDZDFAUVPZQU-ZDUSSCGKSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)c1cc(OC)ccc1OC ZINC000916968111 624296373 /nfs/dbraw/zinc/29/63/73/624296373.db2.gz OLKJHBTUMFRWHL-OAHLLOKOSA-N 0 3 279.380 2.635 20 30 CFEDHN C=CCN(C[C@H](O)COc1cccc(C(C)=O)c1)C(C)C ZINC000917069066 624306550 /nfs/dbraw/zinc/30/65/50/624306550.db2.gz GAPPOPXTLDXDHR-INIZCTEOSA-N 0 3 291.391 2.525 20 30 CFEDHN N#Cc1ccc(SCCN2CCCC2)c(F)c1 ZINC000917091750 624311349 /nfs/dbraw/zinc/31/13/49/624311349.db2.gz CHNQCZOHFIFINM-UHFFFAOYSA-N 0 3 250.342 2.885 20 30 CFEDHN C=CCN1CCC(NC(=O)N2[C@H](C)CCC2(C)C)CC1 ZINC000917136788 624316506 /nfs/dbraw/zinc/31/65/06/624316506.db2.gz IGHVGSOLDZAVMX-CYBMUJFWSA-N 0 3 279.428 2.609 20 30 CFEDHN CC(C)N1CC[C@H](N(C)c2snc(Cl)c2C#N)C1 ZINC000829572593 624456084 /nfs/dbraw/zinc/45/60/84/624456084.db2.gz PNUZRJLOLPWWQQ-VIFPVBQESA-N 0 3 284.816 2.587 20 30 CFEDHN N#CC1(CCCCN2CCCC3(C2)OCCO3)CCC1 ZINC000930053501 624518942 /nfs/dbraw/zinc/51/89/42/624518942.db2.gz GVTXDNTVNUNFIG-UHFFFAOYSA-N 0 3 278.396 2.689 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000829768976 624529514 /nfs/dbraw/zinc/52/95/14/624529514.db2.gz MGTPOHUAZZMAMW-HOTGVXAUSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2C)C1 ZINC000829774855 624530912 /nfs/dbraw/zinc/53/09/12/624530912.db2.gz VKZHAJQJVOPJQC-KRWDZBQOSA-N 0 3 298.430 2.689 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000829778905 624532774 /nfs/dbraw/zinc/53/27/74/624532774.db2.gz KCIGBZDMPFMZNS-LRDDRELGSA-N 0 3 279.330 2.734 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000830105132 624628694 /nfs/dbraw/zinc/62/86/94/624628694.db2.gz FTFIHFKQPYZGGB-MRXNPFEDSA-N 0 3 285.391 2.954 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000830305082 624704249 /nfs/dbraw/zinc/70/42/49/624704249.db2.gz FKQOZFWHRPCHPJ-HUUCEWRRSA-N 0 3 284.403 2.598 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000830311717 624706199 /nfs/dbraw/zinc/70/61/99/624706199.db2.gz UBUCUHATUPUVKP-HOTGVXAUSA-N 0 3 298.430 2.640 20 30 CFEDHN CN(C)[C@@H](C/N=C\c1cccc(O)c1O)c1ccccc1 ZINC000920943373 624784991 /nfs/dbraw/zinc/78/49/91/624784991.db2.gz XAMAFVZFSUTJGX-GZQZNAIASA-N 0 3 284.359 2.820 20 30 CFEDHN N#CC(C(=O)CCC1CCC1)C(=O)NCc1ccccc1 ZINC000175102195 624926122 /nfs/dbraw/zinc/92/61/22/624926122.db2.gz PAMVYMRMYNNDNJ-HNNXBMFYSA-N 0 3 284.359 2.592 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1cccc(F)c1 ZINC000069067115 625048279 /nfs/dbraw/zinc/04/82/79/625048279.db2.gz INFXVAQJPGRHMY-KRWDZBQOSA-N 0 3 299.345 2.661 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(Br)cc2)CN1C ZINC000761804285 626859546 /nfs/dbraw/zinc/85/95/46/626859546.db2.gz NHRQTUSGUMYSEQ-VIFPVBQESA-N 0 3 282.185 2.941 20 30 CFEDHN CO[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000069952364 625250475 /nfs/dbraw/zinc/25/04/75/625250475.db2.gz YBIQQNIYCMNOFT-CZUORRHYSA-N 0 3 266.300 2.646 20 30 CFEDHN C#Cc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000834904516 625917015 /nfs/dbraw/zinc/91/70/15/625917015.db2.gz ZCUXWIQFAHOVQK-HNNXBMFYSA-N 0 3 251.333 2.558 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2sccc2C)CC1 ZINC000996865056 625933193 /nfs/dbraw/zinc/93/31/93/625933193.db2.gz UCJAWCWNFKPVQY-CYBMUJFWSA-N 0 3 290.432 2.520 20 30 CFEDHN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccsc1 ZINC000834966772 625936154 /nfs/dbraw/zinc/93/61/54/625936154.db2.gz SLHZBRHYIRNDKJ-CHWSQXEVSA-N 0 3 276.409 2.722 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)C2CCCCCC2)CC1 ZINC000996961940 625948764 /nfs/dbraw/zinc/94/87/64/625948764.db2.gz CCBKHDYWBSGOPP-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000997835746 626016740 /nfs/dbraw/zinc/01/67/40/626016740.db2.gz XGWSCLYIGJWIKX-ZOBUZTSGSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000997848470 626017139 /nfs/dbraw/zinc/01/71/39/626017139.db2.gz CEZLVTVYDCFQJH-INIZCTEOSA-N 0 3 298.430 2.767 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997912747 626020785 /nfs/dbraw/zinc/02/07/85/626020785.db2.gz HVOYABYROGSVFM-INIZCTEOSA-N 0 3 288.391 2.620 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccoc2C)CC1 ZINC000997921686 626022507 /nfs/dbraw/zinc/02/25/07/626022507.db2.gz PDPNAURDTCNOQG-HNNXBMFYSA-N 0 3 288.391 2.538 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccc(C)cc2)CC1 ZINC000998176515 626034726 /nfs/dbraw/zinc/03/47/26/626034726.db2.gz KBHPOOZOIDXBTA-SFHVURJKSA-N 0 3 298.430 2.945 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)C=C(C)C)CC[C@@H]1C(F)(F)F ZINC000998227485 626036479 /nfs/dbraw/zinc/03/64/79/626036479.db2.gz SSXKXHSNTONMKX-NWDGAFQWSA-N 0 3 290.329 2.508 20 30 CFEDHN CCCC(=O)N1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000998391317 626047861 /nfs/dbraw/zinc/04/78/61/626047861.db2.gz XUCVIBSWJGIZNO-GFCCVEGCSA-N 0 3 291.420 2.500 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)(C)C2CC2)C1 ZINC000999259488 626069781 /nfs/dbraw/zinc/06/97/81/626069781.db2.gz LOLSYGSHUZJGLD-UHFFFAOYSA-N 0 3 284.831 2.754 20 30 CFEDHN N#Cc1cc(CN[C@H]2CCN(c3ccccc3)C2)cs1 ZINC000921705981 626096106 /nfs/dbraw/zinc/09/61/06/626096106.db2.gz DLFFKHBHFYURFQ-AWEZNQCLSA-N 0 3 283.400 2.988 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001016200615 626112930 /nfs/dbraw/zinc/11/29/30/626112930.db2.gz WROSNWJCPAGVAL-ZDUSSCGKSA-N 0 3 292.448 2.999 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C2CCCCCC2)CC1 ZINC001001238442 626151998 /nfs/dbraw/zinc/15/19/98/626151998.db2.gz QDSLEDLDMRAQBK-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C[C@@H](CCCO)NCc1cc(C#N)ccc1Br ZINC000921833254 626153721 /nfs/dbraw/zinc/15/37/21/626153721.db2.gz TYQFLJHZCNZXRF-JTQLQIEISA-N 0 3 297.196 2.571 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001001314635 626154495 /nfs/dbraw/zinc/15/44/95/626154495.db2.gz MSGLDJBNEQYHOG-IAGOWNOFSA-N 0 3 288.435 2.747 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001002153414 626167917 /nfs/dbraw/zinc/16/79/17/626167917.db2.gz NASALKHIWPSSOZ-GJZGRUSLSA-N 0 3 290.451 2.520 20 30 CFEDHN N#Cc1ccc(Br)c(CNCCCCCO)c1 ZINC000922078740 626204621 /nfs/dbraw/zinc/20/46/21/626204621.db2.gz HJJFCWWEQHKBOC-UHFFFAOYSA-N 0 3 297.196 2.573 20 30 CFEDHN CC[C@H](NCc1cc(C#N)ccc1Br)[C@H](C)O ZINC000922157239 626220056 /nfs/dbraw/zinc/22/00/56/626220056.db2.gz BMYJLIQBKIPNSH-ZANVPECISA-N 0 3 297.196 2.570 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)ccc1Br)[C@H](C)O ZINC000922157238 626220280 /nfs/dbraw/zinc/22/02/80/626220280.db2.gz BMYJLIQBKIPNSH-TVQRCGJNSA-N 0 3 297.196 2.570 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)Cc1ccc(N)nc1 ZINC000929270452 626224951 /nfs/dbraw/zinc/22/49/51/626224951.db2.gz ORNPJOYKEKGOAP-UHFFFAOYSA-N 0 3 280.375 2.948 20 30 CFEDHN CO[C@@H](CNCc1csc(C#N)c1)CC(C)C ZINC000922190319 626237270 /nfs/dbraw/zinc/23/72/70/626237270.db2.gz JJLXXTPIRWWBBA-GFCCVEGCSA-N 0 3 252.383 2.770 20 30 CFEDHN C[C@H](COCC1CC1)NCc1csc(C#N)c1 ZINC000922218995 626243309 /nfs/dbraw/zinc/24/33/09/626243309.db2.gz DIXPVTJRHLVITF-SNVBAGLBSA-N 0 3 250.367 2.524 20 30 CFEDHN C[C@@H]1CCC[C@H](CNCc2csc(C#N)c2)O1 ZINC000922249346 626251113 /nfs/dbraw/zinc/25/11/13/626251113.db2.gz JFXKEMQQLCUFCU-ZYHUDNBSSA-N 0 3 250.367 2.667 20 30 CFEDHN C=CCCn1cc(CNCC2C[C@H]3CC[C@@H](C2)S3)nn1 ZINC000922420652 626285543 /nfs/dbraw/zinc/28/55/43/626285543.db2.gz JWOPQLRBPKEFGA-LQDVMPOASA-N 0 3 292.452 2.618 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCSC3(CCC3)C2)n1 ZINC000922841119 626377671 /nfs/dbraw/zinc/37/76/71/626377671.db2.gz XHJOKCJJPMDQTN-SNVBAGLBSA-N 0 3 279.434 2.923 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccccn1)[C@@H]1CCc2ccccc21 ZINC000851734881 634498765 /nfs/dbraw/zinc/49/87/65/634498765.db2.gz AALXOHYYEZDTIY-RTBURBONSA-N 0 3 292.382 2.738 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C(C)=C2CCCC2)CC1 ZINC001005233185 626413207 /nfs/dbraw/zinc/41/32/07/626413207.db2.gz NXTRDWBYOHRLRI-UHFFFAOYSA-N 0 3 276.424 2.986 20 30 CFEDHN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000175107292 626420481 /nfs/dbraw/zinc/42/04/81/626420481.db2.gz XNIWWLMLSFLNER-CYBMUJFWSA-N 0 3 282.299 2.858 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)[C@@H]1CC[C@@H](OC)C1 ZINC000851737981 634501865 /nfs/dbraw/zinc/50/18/65/634501865.db2.gz STSRURTYDYQWRO-HZPDHXFCSA-N 0 3 261.340 2.828 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc3ncccc3o2)CC1 ZINC001005733088 626420965 /nfs/dbraw/zinc/42/09/65/626420965.db2.gz WIYINLZQUQURGH-UHFFFAOYSA-N 0 3 299.374 2.550 20 30 CFEDHN C#CCC1(NCc2cccc(OC)c2OC)CCC1 ZINC000923001036 626440781 /nfs/dbraw/zinc/44/07/81/626440781.db2.gz QDYXIIIZDZRKMO-UHFFFAOYSA-N 0 3 259.349 2.739 20 30 CFEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CC2)cc1F ZINC000923028207 626443120 /nfs/dbraw/zinc/44/31/20/626443120.db2.gz NOXHJBKIAPMJGY-OAHLLOKOSA-N 0 3 274.339 2.889 20 30 CFEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CC2)s1 ZINC000923028657 626443321 /nfs/dbraw/zinc/44/33/21/626443321.db2.gz ABMJSAPAOSNLKJ-ZDUSSCGKSA-N 0 3 262.378 2.811 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2occc2CC)CC1 ZINC001005942766 626452703 /nfs/dbraw/zinc/45/27/03/626452703.db2.gz LKLQUXANIHFLHD-UHFFFAOYSA-N 0 3 290.407 2.955 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016422800 626481236 /nfs/dbraw/zinc/48/12/36/626481236.db2.gz BLRSDBPZSKIXPK-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN(C)CCCNC(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000838622324 626502121 /nfs/dbraw/zinc/50/21/21/626502121.db2.gz DFRUPFPRPKFEQW-GJZGRUSLSA-N 0 3 293.455 2.550 20 30 CFEDHN CCC(C)(C)OCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838786333 626506653 /nfs/dbraw/zinc/50/66/53/626506653.db2.gz HZUSFILYEHINNO-ZDUSSCGKSA-N 0 3 288.347 2.539 20 30 CFEDHN COc1ccc(CNCC(C)(C)CC#N)cc1C#N ZINC000839163515 626531586 /nfs/dbraw/zinc/53/15/86/626531586.db2.gz NZVPJSCKVCKYAH-UHFFFAOYSA-N 0 3 257.337 2.596 20 30 CFEDHN C#CCC1(C(=O)NCCN2CCCC[C@@H]2C)CCCCC1 ZINC000788160240 626538804 /nfs/dbraw/zinc/53/88/04/626538804.db2.gz YGBMUSMWEGCRQK-INIZCTEOSA-N 0 3 290.451 2.951 20 30 CFEDHN C1CCN([C@H]2CCCCC2=NNC2CCOCC2)CC1 ZINC000757589781 626556028 /nfs/dbraw/zinc/55/60/28/626556028.db2.gz IALLFZFERJVXSO-INIZCTEOSA-N 0 3 279.428 2.540 20 30 CFEDHN C#CCOc1ccc([C@H](C)NC2COC(C)(C)OC2)cc1 ZINC000757705025 626559433 /nfs/dbraw/zinc/55/94/33/626559433.db2.gz KYHXDSWPKQKQMF-ZDUSSCGKSA-N 0 3 289.375 2.501 20 30 CFEDHN C=CCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000757923474 626568067 /nfs/dbraw/zinc/56/80/67/626568067.db2.gz NMLOQHGLDUSRQC-UHFFFAOYSA-N 0 3 290.382 2.813 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000758279563 626586702 /nfs/dbraw/zinc/58/67/02/626586702.db2.gz VZFAUZOVIGEPDS-LSDHHAIUSA-N 0 3 297.443 2.510 20 30 CFEDHN COc1cc(F)cc(N=NC2C[C@@H](C)N(C3CC3)C2)c1 ZINC000759211055 626636981 /nfs/dbraw/zinc/63/69/81/626636981.db2.gz YEHGNBPLJNRHHD-SNVBAGLBSA-N 0 3 277.343 2.859 20 30 CFEDHN C=CCCCCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000805184158 626677539 /nfs/dbraw/zinc/67/75/39/626677539.db2.gz OPTIPUXACKKNQK-AWEZNQCLSA-N 0 3 279.428 2.659 20 30 CFEDHN C#CCOCCN1C[C@H](C)C[C@H]1c1ccccc1F ZINC000851786846 634530791 /nfs/dbraw/zinc/53/07/91/634530791.db2.gz GBMZLTVKYVZSHW-CJNGLKHVSA-N 0 3 261.340 2.858 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000766663824 627213536 /nfs/dbraw/zinc/21/35/36/627213536.db2.gz MMBOVDBSMPQDER-LLVKDONJSA-N 0 3 261.365 2.849 20 30 CFEDHN C#CCCCN(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000766894307 627225118 /nfs/dbraw/zinc/22/51/18/627225118.db2.gz DIJOZMKYRXTCFG-UHFFFAOYSA-N 0 3 258.321 2.996 20 30 CFEDHN N#CCCNC(=O)CN1CCC[C@@H]1CCC1CCCCC1 ZINC000767902004 627293032 /nfs/dbraw/zinc/29/30/32/627293032.db2.gz KJQNQXNXZVGEGM-MRXNPFEDSA-N 0 3 291.439 2.841 20 30 CFEDHN N#Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)o1 ZINC000768980047 627392556 /nfs/dbraw/zinc/39/25/56/627392556.db2.gz FDOZJBPNSCDGMY-GJZGRUSLSA-N 0 3 293.370 2.719 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](n2ccnc2)C1 ZINC000769311576 627422275 /nfs/dbraw/zinc/42/22/75/627422275.db2.gz NCXMHMVLYGNBTP-KRWDZBQOSA-N 0 3 295.386 2.732 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(CC)[C@@H](C)C2)cc1 ZINC000769382591 627432540 /nfs/dbraw/zinc/43/25/40/627432540.db2.gz YPHHAUGDTHUMNI-INIZCTEOSA-N 0 3 286.419 2.615 20 30 CFEDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000769553224 627455333 /nfs/dbraw/zinc/45/53/33/627455333.db2.gz GISBNGBJNYUXIF-NEPJUHHUSA-N 0 3 283.416 2.818 20 30 CFEDHN C#C[C@@H](C)N(C)CCOc1ccc(OCCC)cc1 ZINC000769962140 627492392 /nfs/dbraw/zinc/49/23/92/627492392.db2.gz YJOKRAXIKRWDKN-CQSZACIVSA-N 0 3 261.365 2.808 20 30 CFEDHN N#CCC[C@H](NC[C@@H](O)c1ccccn1)c1ccccc1 ZINC000851904764 634582194 /nfs/dbraw/zinc/58/21/94/634582194.db2.gz BAPOJTLBIQVJTK-DOTOQJQBSA-N 0 3 281.359 2.750 20 30 CFEDHN N#CC(C(=O)CCCC(F)(F)F)c1ccccn1 ZINC000771257787 627588285 /nfs/dbraw/zinc/58/82/85/627588285.db2.gz GJRYZMMJTGPKBU-SECBINFHSA-N 0 3 256.227 2.990 20 30 CFEDHN CCCCCCCC(=O)N(CCN(C)C)C1CC1 ZINC000773112476 627784444 /nfs/dbraw/zinc/78/44/44/627784444.db2.gz KGFYVPYBFIQPJS-UHFFFAOYSA-N 0 3 254.418 2.900 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(N(C)CC)cc1 ZINC000773889419 627867888 /nfs/dbraw/zinc/86/78/88/627867888.db2.gz VIKFQNZVZOTUEQ-UHFFFAOYSA-N 0 3 262.397 2.777 20 30 CFEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000774200573 627902423 /nfs/dbraw/zinc/90/24/23/627902423.db2.gz CTNNWXAXVLDGPA-XEZPLFJOSA-N 0 3 270.380 2.834 20 30 CFEDHN C#CCOCCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000851978783 634615095 /nfs/dbraw/zinc/61/50/95/634615095.db2.gz PPJPVUSWACAXEL-NSHDSACASA-N 0 3 263.303 2.547 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cc(Cl)cc(OC)c1O ZINC000775177642 627998310 /nfs/dbraw/zinc/99/83/10/627998310.db2.gz BTKKSFRRGRUQRN-SECBINFHSA-N 0 3 253.729 2.508 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cccnc1Cl ZINC000775422297 628024562 /nfs/dbraw/zinc/02/45/62/628024562.db2.gz LUEJWIAIXIIDKC-MNOVXSKESA-N 0 3 254.761 2.570 20 30 CFEDHN C#C[C@H](N[C@@H](CC)c1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000775572488 628041028 /nfs/dbraw/zinc/04/10/28/628041028.db2.gz BAEVINNJNQSADR-ULQDDVLXSA-N 0 3 273.376 2.917 20 30 CFEDHN C#C[C@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CCCO1 ZINC000775575353 628042588 /nfs/dbraw/zinc/04/25/88/628042588.db2.gz WAKYZHLJGKCGTC-JLSDUUJJSA-N 0 3 295.386 2.704 20 30 CFEDHN N#CC1(COC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000775859594 628077311 /nfs/dbraw/zinc/07/73/11/628077311.db2.gz XXPWRUGGGVSTOT-UHFFFAOYSA-N 0 3 298.386 2.746 20 30 CFEDHN CCc1cc(CN[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000776159649 628108164 /nfs/dbraw/zinc/10/81/64/628108164.db2.gz YTZZMIIZRDMVSE-LLVKDONJSA-N 0 3 254.337 2.695 20 30 CFEDHN C=C(C)CNC(=S)N[C@H](C)CN(C)Cc1ccccc1 ZINC000776205418 628116402 /nfs/dbraw/zinc/11/64/02/628116402.db2.gz YDMHOCSDABHNDV-CQSZACIVSA-N 0 3 291.464 2.547 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)c1cccc(CO)c1 ZINC000776307125 628129353 /nfs/dbraw/zinc/12/93/53/628129353.db2.gz VOYCJGLDYBCYCD-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN C[C@@H](C1CC1)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000777821062 628254601 /nfs/dbraw/zinc/25/46/01/628254601.db2.gz LNBVLRHLXGAXTA-LBPRGKRZSA-N 0 3 273.355 2.618 20 30 CFEDHN COc1cccc2[nH]cc(CCNC[C@H](C#N)CCC#N)c21 ZINC000777944169 628266647 /nfs/dbraw/zinc/26/66/47/628266647.db2.gz YBFWRARQMSHMQK-ZDUSSCGKSA-N 0 3 296.374 2.752 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@H](O)CC1 ZINC000778172189 628283632 /nfs/dbraw/zinc/28/36/32/628283632.db2.gz YIFBZMQEACRBQP-JOCQHMNTSA-N 0 3 293.794 2.745 20 30 CFEDHN C#CCOCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000852088469 634646924 /nfs/dbraw/zinc/64/69/24/634646924.db2.gz KDJNEOCTHQEGMU-CQSZACIVSA-N 0 3 263.768 2.779 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000852098289 634651774 /nfs/dbraw/zinc/65/17/74/634651774.db2.gz IZYQVIDBIVWCRU-XJKSGUPXSA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000852098522 634651997 /nfs/dbraw/zinc/65/19/97/634651997.db2.gz PCVWEGYCTAEKHB-OGHNNQOOSA-N 0 3 290.382 2.783 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000852097973 634652018 /nfs/dbraw/zinc/65/20/18/634652018.db2.gz BJMOARXVOWSGIC-LRDDRELGSA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000852098846 634652848 /nfs/dbraw/zinc/65/28/48/634652848.db2.gz XPXFNKOBNIKNMK-MJGOQNOKSA-N 0 3 298.430 2.914 20 30 CFEDHN C#CCCCCCC(=O)NCc1ccccc1CN(C)C ZINC000779869141 628415340 /nfs/dbraw/zinc/41/53/40/628415340.db2.gz DYSNWIJELCZVJZ-UHFFFAOYSA-N 0 3 286.419 2.948 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000852099642 634653863 /nfs/dbraw/zinc/65/38/63/634653863.db2.gz OPBYPNJTRFNLND-RTBURBONSA-N 0 3 298.430 2.954 20 30 CFEDHN COc1cc(CN2CCC(C)(C#N)CC2)c(O)cc1C ZINC000779878219 628415973 /nfs/dbraw/zinc/41/59/73/628415973.db2.gz BNXVYWNKXHYYOO-UHFFFAOYSA-N 0 3 274.364 2.835 20 30 CFEDHN C#C[C@@](C)(CC)NCc1cccc(C(=O)NCC(C)C)c1 ZINC000852100595 634655626 /nfs/dbraw/zinc/65/56/26/634655626.db2.gz YOGCZCFSXHIAQW-SFHVURJKSA-N 0 3 286.419 2.964 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)NC1(c2ccccc2)CCC1 ZINC000852102896 634657873 /nfs/dbraw/zinc/65/78/73/634657873.db2.gz SLVTWPWQUJHCCH-KRWDZBQOSA-N 0 3 284.403 2.574 20 30 CFEDHN COc1ccc(N=NC2CN(C)C[C@H]2C)cc1Cl ZINC000782231824 628617900 /nfs/dbraw/zinc/61/79/00/628617900.db2.gz YQTVVSPEHDTMCO-SECBINFHSA-N 0 3 267.760 2.698 20 30 CFEDHN C#CCCCN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782561809 628645066 /nfs/dbraw/zinc/64/50/66/628645066.db2.gz SVBRNGBYSATUMC-GASCZTMLSA-N 0 3 292.423 2.874 20 30 CFEDHN COC(=O)C[C@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000784348034 628807987 /nfs/dbraw/zinc/80/79/87/628807987.db2.gz RUPUVSVHEPNEMG-AWEZNQCLSA-N 0 3 292.766 2.643 20 30 CFEDHN COCC#CCN1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784374663 628811927 /nfs/dbraw/zinc/81/19/27/628811927.db2.gz UYDYZYIRJREESM-GOSISDBHSA-N 0 3 286.419 2.545 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000785536237 628891727 /nfs/dbraw/zinc/89/17/27/628891727.db2.gz CZGULKBGOUIMIC-HIFRSBDPSA-N 0 3 252.402 2.579 20 30 CFEDHN C#CCOCCNC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000852218634 634693758 /nfs/dbraw/zinc/69/37/58/634693758.db2.gz YOCLHTPBZPBEEI-UHFFFAOYSA-N 0 3 299.292 2.814 20 30 CFEDHN C=CCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000786435539 628956301 /nfs/dbraw/zinc/95/63/01/628956301.db2.gz GETPGIXRBLSPBP-GFCCVEGCSA-N 0 3 299.399 2.980 20 30 CFEDHN C=CCCN(C)[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000786445124 628957218 /nfs/dbraw/zinc/95/72/18/628957218.db2.gz MMZKHXKLDMWMDH-MRXNPFEDSA-N 0 3 272.392 2.998 20 30 CFEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534328 628966827 /nfs/dbraw/zinc/96/68/27/628966827.db2.gz KASWBDMMMXEJHP-MFKMUULPSA-N 0 3 292.766 2.711 20 30 CFEDHN N#CCCCCOC(=O)CCN1CCc2ccccc2C1 ZINC000786813284 628980366 /nfs/dbraw/zinc/98/03/66/628980366.db2.gz IZIGZYLSWPIGGD-UHFFFAOYSA-N 0 3 286.375 2.672 20 30 CFEDHN CC(C)(C#N)CCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786884251 628983473 /nfs/dbraw/zinc/98/34/73/628983473.db2.gz VZOLIIMNWSJWMM-AWEZNQCLSA-N 0 3 278.396 2.876 20 30 CFEDHN N#Cc1ccc(CNC2CC(OCc3ccccc3)C2)nc1 ZINC000786915381 628984489 /nfs/dbraw/zinc/98/44/89/628984489.db2.gz ALSNFWVVILYKHY-UHFFFAOYSA-N 0 3 293.370 2.791 20 30 CFEDHN C#CCC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCCCC1 ZINC000788227249 629052095 /nfs/dbraw/zinc/05/20/95/629052095.db2.gz MKRFHPDFRMBEFT-LSDHHAIUSA-N 0 3 288.435 2.702 20 30 CFEDHN N#CC1(OC(=O)C2CCN(Cc3ccccc3)CC2)CCC1 ZINC000805893422 629162903 /nfs/dbraw/zinc/16/29/03/629162903.db2.gz QPLYRPZUKGCXLR-UHFFFAOYSA-N 0 3 298.386 2.888 20 30 CFEDHN C=C(C)CCN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789520944 629163465 /nfs/dbraw/zinc/16/34/65/629163465.db2.gz KBNDDDWZEXLFSR-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC[N-]C(=O)C(F)(F)F ZINC000852303655 634715451 /nfs/dbraw/zinc/71/54/51/634715451.db2.gz VTPDXJQIHGZFKE-RYUDHWBXSA-N 0 3 292.345 2.780 20 30 CFEDHN CCN(C)c1ccc(C=NNCCC(C)(C)C)cn1 ZINC000790174777 629216303 /nfs/dbraw/zinc/21/63/03/629216303.db2.gz WLPGRWWFARTGLL-UHFFFAOYSA-N 0 3 262.401 2.897 20 30 CFEDHN Cc1cc(F)ccc1[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000852319232 634719195 /nfs/dbraw/zinc/71/91/95/634719195.db2.gz ICSNHZOTCHEWAS-XJKSGUPXSA-N 0 3 276.355 2.793 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000852319074 634719354 /nfs/dbraw/zinc/71/93/54/634719354.db2.gz GIOLGOGRYKLMMG-AWEZNQCLSA-N 0 3 269.348 2.715 20 30 CFEDHN N#CC(C(=O)[C@@H]1C[C@H]1C(F)(F)F)c1nc2ccccc2[nH]1 ZINC000835036265 629328523 /nfs/dbraw/zinc/32/85/23/629328523.db2.gz JQQKTJCVLISFNX-HRDYMLBCSA-N 0 3 293.248 2.938 20 30 CFEDHN CCCCCCCN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000791586860 629337185 /nfs/dbraw/zinc/33/71/85/629337185.db2.gz ZJBXKARZDKVPSQ-CABCVRRESA-N 0 3 255.402 2.837 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1 ZINC000835061269 629363158 /nfs/dbraw/zinc/36/31/58/629363158.db2.gz YHOFWLMETRWWAR-ISZGNANSSA-N 0 3 299.374 2.643 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(F)cc1C)[C@@H](C)COC ZINC000852358130 634732215 /nfs/dbraw/zinc/73/22/15/634732215.db2.gz NOCAPJGPXNOSSH-BBRMVZONSA-N 0 3 281.371 2.690 20 30 CFEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCC1 ZINC000792094702 629397433 /nfs/dbraw/zinc/39/74/33/629397433.db2.gz PNMISGHVUJDMEM-AWEZNQCLSA-N 0 3 280.327 2.980 20 30 CFEDHN Cc1ccc2c(c1)CCN(C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000792313725 629419916 /nfs/dbraw/zinc/41/99/16/629419916.db2.gz ZCALUMKGSOTALD-LJQANCHMSA-N 0 3 292.382 2.958 20 30 CFEDHN C[C@H](NN=Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000793112576 629488678 /nfs/dbraw/zinc/48/86/78/629488678.db2.gz UUJSLHKGDRPKJL-AWEZNQCLSA-N 0 3 289.423 2.881 20 30 CFEDHN CC[C@@H]1CCN1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000793825400 629598739 /nfs/dbraw/zinc/59/87/39/629598739.db2.gz YLUUUQSTIWDSDF-OAHLLOKOSA-N 0 3 281.363 2.567 20 30 CFEDHN COCCN(C)N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000794966638 629712189 /nfs/dbraw/zinc/71/21/89/629712189.db2.gz VGQAJOCUXGCPMV-KRHMZKEVSA-N 0 3 287.407 2.862 20 30 CFEDHN C=C(Br)CN1CCN(C2CCC2)C[C@H](C)C1 ZINC000795128438 629737108 /nfs/dbraw/zinc/73/71/08/629737108.db2.gz SYMQFKPPMKKZAG-LLVKDONJSA-N 0 3 287.245 2.701 20 30 CFEDHN C=CC(C)(C)COC(=O)C1CCN(C2CC2)CC1 ZINC000835722876 629985428 /nfs/dbraw/zinc/98/54/28/629985428.db2.gz ZAMRLSWNKKCIFP-UHFFFAOYSA-N 0 3 251.370 2.616 20 30 CFEDHN COc1cc(Cl)cc(C[NH2+]CC2(CC#N)CC2)c1[O-] ZINC000797604302 630086987 /nfs/dbraw/zinc/08/69/87/630086987.db2.gz NTHDSOKJCYDDJY-UHFFFAOYSA-N 0 3 280.755 2.838 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000799339448 630301132 /nfs/dbraw/zinc/30/11/32/630301132.db2.gz PFHPPXAETNQKHZ-PBHICJAKSA-N 0 3 298.430 2.818 20 30 CFEDHN Cc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1C#N ZINC000799376920 630305562 /nfs/dbraw/zinc/30/55/62/630305562.db2.gz FZSMFTZHUZDFER-MRXNPFEDSA-N 0 3 299.418 2.717 20 30 CFEDHN CCCCCCN(C)CC(=O)NCC1CCC(C#N)CC1 ZINC000799735420 630341791 /nfs/dbraw/zinc/34/17/91/630341791.db2.gz SACRKVWCXYQSGF-UHFFFAOYSA-N 0 3 293.455 2.945 20 30 CFEDHN C#CCOc1ccc(CN2CC(C3CCOCC3)C2)cc1 ZINC000800530652 630394703 /nfs/dbraw/zinc/39/47/03/630394703.db2.gz SEHTYKRYOJHKNR-UHFFFAOYSA-N 0 3 285.387 2.557 20 30 CFEDHN C#CCCN(CCOC)Cc1cc(C)sc1C ZINC000852748703 634823582 /nfs/dbraw/zinc/82/35/82/634823582.db2.gz FSVXVYMDLLLTTR-UHFFFAOYSA-N 0 3 251.395 2.837 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc(OC(F)F)c1 ZINC000852752098 634826057 /nfs/dbraw/zinc/82/60/57/634826057.db2.gz SKQKCFGQZZNWGB-UHFFFAOYSA-N 0 3 283.318 2.760 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(C)[C@H](C)C1CCCCC1 ZINC000836490382 630833041 /nfs/dbraw/zinc/83/30/41/630833041.db2.gz YFHVXHHDRGTESN-OAHLLOKOSA-N 0 3 293.455 2.552 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC(C)(C)C)OC)CC1 ZINC000806744630 630833084 /nfs/dbraw/zinc/83/30/84/630833084.db2.gz GRAPWNQPGGEXBS-UHFFFAOYSA-N 0 3 297.443 2.646 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(CCN(C)C)C1CC1 ZINC000807265244 630873052 /nfs/dbraw/zinc/87/30/52/630873052.db2.gz GLCLOFVFLNZGNH-HNNXBMFYSA-N 0 3 297.443 2.510 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000807681752 630904131 /nfs/dbraw/zinc/90/41/31/630904131.db2.gz MYDWRWIRVIYYFP-KGLIPLIRSA-N 0 3 290.407 2.875 20 30 CFEDHN Cc1ccc([C@@H](CNC(=O)C#CC(C)(C)C)N(C)C)cc1 ZINC000837367705 631015234 /nfs/dbraw/zinc/01/52/34/631015234.db2.gz AWUQHYOYSQOMLZ-MRXNPFEDSA-N 0 3 286.419 2.763 20 30 CFEDHN CN(C)CCN(C(=O)C#CC(C)(C)C)C1CCCCC1 ZINC000837409636 631022964 /nfs/dbraw/zinc/02/29/64/631022964.db2.gz IMQIDYOUTDQSEW-UHFFFAOYSA-N 0 3 278.440 2.759 20 30 CFEDHN C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](c1ccccc1)N(C)C ZINC000837539852 631060482 /nfs/dbraw/zinc/06/04/82/631060482.db2.gz XUCLUSXPHIHXGD-PBHICJAKSA-N 0 3 286.419 2.844 20 30 CFEDHN C#C[C@@H]1COCCN1Cn1ccc(=S)c2ccccc21 ZINC000840168016 631105469 /nfs/dbraw/zinc/10/54/69/631105469.db2.gz IVTUIPPRLIZVQN-CYBMUJFWSA-N 0 3 284.384 2.662 20 30 CFEDHN C#Cc1ccc(CN(CCO)Cc2ccc(C)cc2)cc1 ZINC000809637327 631252657 /nfs/dbraw/zinc/25/26/57/631252657.db2.gz DZLKFNRBNKJUSQ-UHFFFAOYSA-N 0 3 279.383 2.971 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OCc2ccncc2)cc1 ZINC000809683364 631260231 /nfs/dbraw/zinc/26/02/31/631260231.db2.gz BBUCCRMJEVVEBD-AWEZNQCLSA-N 0 3 266.344 2.772 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC)c(COCC)c1 ZINC000809686139 631262952 /nfs/dbraw/zinc/26/29/52/631262952.db2.gz SEQRHLOGIPMRNC-HNNXBMFYSA-N 0 3 261.365 2.733 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H](O)c2ccccc2)c(F)c1 ZINC000809747857 631280096 /nfs/dbraw/zinc/28/00/96/631280096.db2.gz WGYVJIYVLLOZFE-QGZVFWFLSA-N 0 3 284.334 2.911 20 30 CFEDHN CN(CCOc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000841493138 631416938 /nfs/dbraw/zinc/41/69/38/631416938.db2.gz VMJKNPDLIFYOFY-SFHVURJKSA-N 0 3 296.370 2.602 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001010046772 651170050 /nfs/dbraw/zinc/17/00/50/651170050.db2.gz XKZRCCHTDVYBPO-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN c1ccc([C@H]2CC(=NN3CCOCC3)CCN2C2CC2)cc1 ZINC000841606092 631429269 /nfs/dbraw/zinc/42/92/69/631429269.db2.gz YHZOXEMEYIVUOE-GOSISDBHSA-N 0 3 299.418 2.674 20 30 CFEDHN C[C@H](O)CN(C)N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000841653669 631444391 /nfs/dbraw/zinc/44/43/91/631444391.db2.gz PXQOUHUJPRPNKD-YWWZSJOGSA-N 0 3 287.407 2.596 20 30 CFEDHN N#CC1(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)CCC1 ZINC000841898060 631490374 /nfs/dbraw/zinc/49/03/74/631490374.db2.gz KIYKNSMTWFYHEF-UTUOFQBUSA-N 0 3 268.451 2.649 20 30 CFEDHN C[C@@H]1C[C@H](NCC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000841898315 631491130 /nfs/dbraw/zinc/49/11/30/631491130.db2.gz MQLWYOGKKNDXME-WBVHZDCISA-N 0 3 283.419 2.933 20 30 CFEDHN C=CCCCCCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000841903461 631491231 /nfs/dbraw/zinc/49/12/31/631491231.db2.gz SFEYFEMHZASWOA-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811496448 631571371 /nfs/dbraw/zinc/57/13/71/631571371.db2.gz XHLPAAWXIHZGCK-KGLIPLIRSA-N 0 3 282.428 2.879 20 30 CFEDHN CN(C)c1ncc(C=NN2CCC(C(C)(C)C)CC2)n1C ZINC000811648151 631592228 /nfs/dbraw/zinc/59/22/28/631592228.db2.gz FZQZJJMGAXMJGG-UHFFFAOYSA-N 0 3 291.443 2.578 20 30 CFEDHN CC(=NNC[C@@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000811659448 631597979 /nfs/dbraw/zinc/59/79/79/631597979.db2.gz SAAAFYZKTYKPCJ-ZDUSSCGKSA-N 0 3 277.437 2.819 20 30 CFEDHN CCOC(=O)c1ccc(N=NC2CN(C)C[C@H]2C)cc1C ZINC000812228189 631671243 /nfs/dbraw/zinc/67/12/43/631671243.db2.gz GKFSXOXOXYTEKT-GFCCVEGCSA-N 0 3 289.379 2.521 20 30 CFEDHN CCN(CCO)c1ccc(C=NOC2CCC2)c(C)c1 ZINC000812235296 631673808 /nfs/dbraw/zinc/67/38/08/631673808.db2.gz CKEMWQMHQAZRES-UHFFFAOYSA-N 0 3 276.380 2.717 20 30 CFEDHN C#C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)c1ccc(Cl)cc1 ZINC000812351107 631694340 /nfs/dbraw/zinc/69/43/40/631694340.db2.gz GCDWAYRUNKBKII-HUUCEWRRSA-N 0 3 292.810 2.717 20 30 CFEDHN C#C[C@H](N[C@H](C)C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000812792663 631779415 /nfs/dbraw/zinc/77/94/15/631779415.db2.gz GDINFSZDWJNFPE-WWGRRREGSA-N 0 3 261.340 2.905 20 30 CFEDHN C#C[C@H](N[C@@H](C)C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000812792664 631779651 /nfs/dbraw/zinc/77/96/51/631779651.db2.gz GDINFSZDWJNFPE-XEZPLFJOSA-N 0 3 261.340 2.905 20 30 CFEDHN C=CC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813102015 631838080 /nfs/dbraw/zinc/83/80/80/631838080.db2.gz MUYRWZALFHKUHX-YPMHNXCESA-N 0 3 263.293 2.555 20 30 CFEDHN CCO[C@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212693 631881407 /nfs/dbraw/zinc/88/14/07/631881407.db2.gz FKCGSXSCPMOGLG-SCZZXKLOSA-N 0 3 286.253 2.702 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccc(C)o1)C(C)C ZINC000843408292 631946353 /nfs/dbraw/zinc/94/63/53/631946353.db2.gz DHNHKUAUEHAEPH-CQSZACIVSA-N 0 3 271.364 2.736 20 30 CFEDHN C#CC[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000843423933 631953634 /nfs/dbraw/zinc/95/36/34/631953634.db2.gz LZPQQJSOLBBGKG-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000843423933 631953635 /nfs/dbraw/zinc/95/36/35/631953635.db2.gz LZPQQJSOLBBGKG-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000843427002 631954568 /nfs/dbraw/zinc/95/45/68/631954568.db2.gz QECHQWSZVKTQMI-UHFFFAOYSA-N 0 3 294.402 2.729 20 30 CFEDHN COCc1ccccc1/C=C(\C)C=Nn1c(C)nnc1C ZINC000814214832 632039798 /nfs/dbraw/zinc/03/97/98/632039798.db2.gz GNEWEFDRPABOMV-KBLMJJCZSA-N 0 3 284.363 2.979 20 30 CFEDHN Brc1ccc(C2CC(=Nn3cnnc3)C2)cc1 ZINC000814682622 632107975 /nfs/dbraw/zinc/10/79/75/632107975.db2.gz MFTXASVUNCDIML-UHFFFAOYSA-N 0 3 291.152 2.822 20 30 CFEDHN CC(Cc1c(Cl)cccc1Cl)=NNC1=N[C@@H](C)CN1 ZINC000814898190 632153961 /nfs/dbraw/zinc/15/39/61/632153961.db2.gz RKDJSWCWUSMRNI-VIFPVBQESA-N 0 3 299.205 2.849 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439743 632212129 /nfs/dbraw/zinc/21/21/29/632212129.db2.gz POBYGCPFIHIZCE-LSDHHAIUSA-N 0 3 292.329 2.713 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC2(CC1)OCCCO2 ZINC000815157976 632219343 /nfs/dbraw/zinc/21/93/43/632219343.db2.gz ZQEAKLOGQMRKNM-UHFFFAOYSA-N 0 3 286.375 2.596 20 30 CFEDHN C[C@@H](C#N)OCCN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000844468782 632223577 /nfs/dbraw/zinc/22/35/77/632223577.db2.gz MMRFTZGFQFGQQN-STQMWFEESA-N 0 3 276.355 2.716 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845444190 632436230 /nfs/dbraw/zinc/43/62/30/632436230.db2.gz MFNQPRUDVUQOGS-LXTVHRRPSA-N 0 3 288.391 2.604 20 30 CFEDHN C=C[C@H](C)ONC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000845615690 632485616 /nfs/dbraw/zinc/48/56/16/632485616.db2.gz BPBCUALAXISNCY-RWMBFGLXSA-N 0 3 295.383 2.514 20 30 CFEDHN CC(C)OCCNN=C1CCCCc2ccc(N)cc21 ZINC000817326028 632602438 /nfs/dbraw/zinc/60/24/38/632602438.db2.gz KKMKDJANTJPPKP-UHFFFAOYSA-N 0 3 275.396 2.714 20 30 CFEDHN O[C@@H]1CCC[C@H]1NN=Cc1ccc(N2CCCCC2)cc1 ZINC000817332603 632606050 /nfs/dbraw/zinc/60/60/50/632606050.db2.gz RVQDFXMIMZKPPE-IAGOWNOFSA-N 0 3 287.407 2.514 20 30 CFEDHN C[C@]1(CCNCc2nc(C#N)cs2)C[C@]1(F)Cl ZINC000846041430 632621851 /nfs/dbraw/zinc/62/18/51/632621851.db2.gz ZVBCWHQTUGEEQN-WDEREUQCSA-N 0 3 273.764 2.809 20 30 CFEDHN C#CCC1(C(=O)N(C)CCN2CCCCC2)CCCCC1 ZINC000846613522 632759740 /nfs/dbraw/zinc/75/97/40/632759740.db2.gz GPOZWTOEBYGOSM-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN Cc1ccc(N(C)C(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000818118809 632804254 /nfs/dbraw/zinc/80/42/54/632804254.db2.gz SMQGEQQIQBNFMP-ZDUSSCGKSA-N 0 3 279.771 2.632 20 30 CFEDHN CC(C)c1ccc(N(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000818138412 632804724 /nfs/dbraw/zinc/80/47/24/632804724.db2.gz FVXFQRHLVPAOLE-OAHLLOKOSA-N 0 3 273.380 2.794 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nn1 ZINC000818346466 632835207 /nfs/dbraw/zinc/83/52/07/632835207.db2.gz LLQVNFJTYPIHGU-SOUVJXGZSA-N 0 3 274.412 2.913 20 30 CFEDHN CC[C@H](CC#N)NCCCOc1ccc(C#N)cc1 ZINC000846990913 632871623 /nfs/dbraw/zinc/87/16/23/632871623.db2.gz FTFFNKQCCOMCOL-CQSZACIVSA-N 0 3 257.337 2.609 20 30 CFEDHN CC[C@@H](CC#N)NCCCOc1ccc(C#N)cc1 ZINC000846990891 632871777 /nfs/dbraw/zinc/87/17/77/632871777.db2.gz FTFFNKQCCOMCOL-AWEZNQCLSA-N 0 3 257.337 2.609 20 30 CFEDHN C#CCN(C)CCCNC(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000818589163 632873304 /nfs/dbraw/zinc/87/33/04/632873304.db2.gz SIOOLFBHKZCQKH-ICFOKQHNSA-N 0 3 298.430 2.860 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCCCC1(C)C ZINC000818606107 632877606 /nfs/dbraw/zinc/87/76/06/632877606.db2.gz DCMKJDHCSUJXSO-HNNXBMFYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)C(C)(C)CCCCC ZINC000818609205 632878854 /nfs/dbraw/zinc/87/88/54/632878854.db2.gz OEUQURPQJZMAMY-UHFFFAOYSA-N 0 3 266.429 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)C1(c2ccccc2)CCCC1 ZINC000818612263 632879874 /nfs/dbraw/zinc/87/98/74/632879874.db2.gz RBGDONOYYCGVRS-UHFFFAOYSA-N 0 3 298.430 2.570 20 30 CFEDHN C#C[C@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000847021883 632887030 /nfs/dbraw/zinc/88/70/30/632887030.db2.gz CNEIGUMRWXDVLV-SJORKVTESA-N 0 3 298.430 2.687 20 30 CFEDHN C#C[C@H]1CCCN([C@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000847034979 632898444 /nfs/dbraw/zinc/89/84/44/632898444.db2.gz XRQOSMSONKHZJD-SJORKVTESA-N 0 3 298.430 2.769 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000847033364 632898557 /nfs/dbraw/zinc/89/85/57/632898557.db2.gz WMBCMNYVKCWLGX-AWEZNQCLSA-N 0 3 281.355 2.947 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000819140188 632982416 /nfs/dbraw/zinc/98/24/16/632982416.db2.gz QHIQTMDEOVWYHO-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1ccc2c(c1)[C@H](NC[C@H](O)c1ccc(C#N)cc1)CO2 ZINC000819165321 632994397 /nfs/dbraw/zinc/99/43/97/632994397.db2.gz UFMYLFCPBWHLTD-SJORKVTESA-N 0 3 294.354 2.623 20 30 CFEDHN C=CCC1(C(=O)OC[C@H](C)N2CCCCC2)CCOCC1 ZINC000847961932 633167911 /nfs/dbraw/zinc/16/79/11/633167911.db2.gz CDVHZBNKUIEWJR-HNNXBMFYSA-N 0 3 295.423 2.777 20 30 CFEDHN C#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000848286598 633233084 /nfs/dbraw/zinc/23/30/84/633233084.db2.gz HTNFDOQVGGKDIB-AEFFLSMTSA-N 0 3 296.414 2.523 20 30 CFEDHN C#C[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000848286617 633233773 /nfs/dbraw/zinc/23/37/73/633233773.db2.gz HTNFDOQVGGKDIB-SJLPKXTDSA-N 0 3 296.414 2.523 20 30 CFEDHN C#C[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000848286613 633233889 /nfs/dbraw/zinc/23/38/89/633233889.db2.gz HTNFDOQVGGKDIB-FUHWJXTLSA-N 0 3 296.414 2.523 20 30 CFEDHN C#CCCCCCC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000848301732 633237719 /nfs/dbraw/zinc/23/77/19/633237719.db2.gz KAIJNCCQUTTWEW-UHFFFAOYSA-N 0 3 278.440 2.903 20 30 CFEDHN c1ccc2[nH]c(N=NC3CCCN4CCCC[C@H]34)nc2c1 ZINC000848400096 633248802 /nfs/dbraw/zinc/24/88/02/633248802.db2.gz BVLGLDXUNNTSJW-OAHLLOKOSA-N 0 3 283.379 2.979 20 30 CFEDHN Cc1cccnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848409171 633250926 /nfs/dbraw/zinc/25/09/26/633250926.db2.gz OJSMYKSROPYLQV-AWEZNQCLSA-N 0 3 258.369 2.806 20 30 CFEDHN CC(C)CC1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000848407932 633251089 /nfs/dbraw/zinc/25/10/89/633251089.db2.gz XNLZDQYXNNUCQJ-OAHLLOKOSA-N 0 3 279.428 2.682 20 30 CFEDHN CC1(C)C[C@@H](N=NC2CCCN3CCCC[C@@H]23)CCO1 ZINC000848408965 633251132 /nfs/dbraw/zinc/25/11/32/633251132.db2.gz HSKVHPBISPSVRR-ZFWWWQNUSA-N 0 3 279.428 2.538 20 30 CFEDHN FC(F)(F)CCON=C1CCCN2CCCC[C@@H]12 ZINC000848409322 633251548 /nfs/dbraw/zinc/25/15/48/633251548.db2.gz TUTQRPZSVXNBNR-NSHDSACASA-N 0 3 264.291 2.960 20 30 CFEDHN Clc1cncnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848409261 633251997 /nfs/dbraw/zinc/25/19/97/633251997.db2.gz RFELBIPRLPXLDQ-LBPRGKRZSA-N 0 3 279.775 2.546 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000848924740 633407782 /nfs/dbraw/zinc/40/77/82/633407782.db2.gz ZELSTCYWBNBTEW-CQSZACIVSA-N 0 3 265.360 2.922 20 30 CFEDHN C[C@@H](CC/N=C/c1cc(Br)ccc1[O-])[NH+](C)C ZINC000849170143 633578475 /nfs/dbraw/zinc/57/84/75/633578475.db2.gz LMNXUSFHZREZPE-CNOAHFENSA-N 0 3 299.212 2.914 20 30 CFEDHN N#CC1(CNCC2(O)CCCCC2)CCCCC1 ZINC000849324072 633617373 /nfs/dbraw/zinc/61/73/73/633617373.db2.gz DFPPTGAZORLRJS-UHFFFAOYSA-N 0 3 250.386 2.745 20 30 CFEDHN C#C[C@H](NCc1cc2ccncc2s1)[C@H]1CCCO1 ZINC000850250870 633912626 /nfs/dbraw/zinc/91/26/26/633912626.db2.gz FDYXDBHJIRMCDB-UONOGXRCSA-N 0 3 272.373 2.567 20 30 CFEDHN C=CCCn1cc(CNCC[C@]2(C)C[C@@]2(F)Cl)nn1 ZINC000850338639 633944482 /nfs/dbraw/zinc/94/44/82/633944482.db2.gz JVHKGMQLCLIFIY-OLZOCXBDSA-N 0 3 286.782 2.649 20 30 CFEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850421377 633985244 /nfs/dbraw/zinc/98/52/44/633985244.db2.gz XPKFSECZZVTYTK-BEFAXECRSA-N 0 3 295.382 2.910 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](O)c3ccccc32)C1 ZINC000850529323 634035117 /nfs/dbraw/zinc/03/51/17/634035117.db2.gz QHVXREHVLLGRBS-KNPMLCFXSA-N 0 3 256.349 2.837 20 30 CFEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000850739036 634068535 /nfs/dbraw/zinc/06/85/35/634068535.db2.gz RVKCTSNLNBGDNZ-NOOOWODRSA-N 0 3 265.316 2.785 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)C2CC3(CC3)C2)cc1 ZINC000850761032 634081823 /nfs/dbraw/zinc/08/18/23/634081823.db2.gz FXHFUDAIVAQYDK-CQSZACIVSA-N 0 3 298.342 2.533 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850977643 634163348 /nfs/dbraw/zinc/16/33/48/634163348.db2.gz AWLAETGKLFEPCO-CABCVRRESA-N 0 3 298.386 2.790 20 30 CFEDHN C=CCN(Cn1cnc2cc(F)c(F)cc21)[C@@H](C)COC ZINC000853532738 635029763 /nfs/dbraw/zinc/02/97/63/635029763.db2.gz KUYZFXNXWDPZBG-NSHDSACASA-N 0 3 295.333 2.795 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C[C@@](C)(CC)CC2=O)C1 ZINC000853537351 635032322 /nfs/dbraw/zinc/03/23/22/635032322.db2.gz VSNBLMDUMGTRNV-HOCLYGCPSA-N 0 3 264.413 2.881 20 30 CFEDHN C#C[C@@H](CC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000854073216 635205415 /nfs/dbraw/zinc/20/54/15/635205415.db2.gz SKVRBYYIPOJUQW-INIZCTEOSA-N 0 3 293.455 2.552 20 30 CFEDHN C=CCCCCN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126130 635217290 /nfs/dbraw/zinc/21/72/90/635217290.db2.gz HTDFKDFKAUYWHT-UHFFFAOYSA-N 0 3 297.406 2.592 20 30 CFEDHN N#CC1(CN[C@@H]2CCCc3cn[nH]c32)CCCCC1 ZINC000857869852 636042307 /nfs/dbraw/zinc/04/23/07/636042307.db2.gz AMENKALNPLTEGF-CYBMUJFWSA-N 0 3 258.369 2.851 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cc(F)c(N(C)C)cc1F ZINC000858333797 636192849 /nfs/dbraw/zinc/19/28/49/636192849.db2.gz BJERVXQLJASPLQ-ZDUSSCGKSA-N 0 3 296.361 2.549 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(C(F)(F)F)s1 ZINC000858334980 636195852 /nfs/dbraw/zinc/19/58/52/636195852.db2.gz JPNQMCMPNOWDDA-SECBINFHSA-N 0 3 277.311 2.895 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(OC)c(OCCC)c1 ZINC000858336199 636196929 /nfs/dbraw/zinc/19/69/29/636196929.db2.gz ZKSQMUUDORNINF-OAHLLOKOSA-N 0 3 291.391 2.612 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(OCC)c(OCC)c1 ZINC000858335964 636197115 /nfs/dbraw/zinc/19/71/15/636197115.db2.gz PJYYEPDLEJANQY-OAHLLOKOSA-N 0 3 291.391 2.612 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1cc(C)ccc1C ZINC000858404805 636221838 /nfs/dbraw/zinc/22/18/38/636221838.db2.gz XDVDWEDRWSFAND-MRXNPFEDSA-N 0 3 295.448 2.945 20 30 CFEDHN COC(=O)C1=CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000858475361 636262501 /nfs/dbraw/zinc/26/25/01/636262501.db2.gz YNFNJRQJYPXVKF-IINYFYTJSA-N 0 3 288.322 2.610 20 30 CFEDHN C#CCCOC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000859148472 636474201 /nfs/dbraw/zinc/47/42/01/636474201.db2.gz JBZCTUKYUHMTBR-AWEZNQCLSA-N 0 3 294.782 2.692 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000859412344 636559442 /nfs/dbraw/zinc/55/94/42/636559442.db2.gz SHCUCSZZCAQAAJ-TYNCELHUSA-N 0 3 294.345 2.815 20 30 CFEDHN C=CCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117101635 636754284 /nfs/dbraw/zinc/75/42/84/636754284.db2.gz DRNSIZHLUBWCHN-HNNXBMFYSA-N 0 3 259.349 2.770 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000862448065 637389356 /nfs/dbraw/zinc/38/93/56/637389356.db2.gz WJBKTOIGESTZKV-LBPRGKRZSA-N 0 3 278.346 2.876 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc3occc3c2)CC1 ZINC000863008514 637535370 /nfs/dbraw/zinc/53/53/70/637535370.db2.gz VCEXEOIEUQRYPE-UHFFFAOYSA-N 0 3 282.343 2.717 20 30 CFEDHN Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1C#N ZINC000863033431 637539780 /nfs/dbraw/zinc/53/97/80/637539780.db2.gz VESLHZHWNLRTRI-KRWDZBQOSA-N 0 3 297.402 2.613 20 30 CFEDHN Cc1cc(NN=Cc2nc3c(s2)CCCC3)ccn1 ZINC000863159149 637573156 /nfs/dbraw/zinc/57/31/56/637573156.db2.gz FSECQZLDKFGNLN-UHFFFAOYSA-N 0 3 272.377 2.593 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1ccc2c(c1)CCCO2 ZINC000863160838 637575050 /nfs/dbraw/zinc/57/50/50/637575050.db2.gz SFLAQTFPXVQLMZ-UHFFFAOYSA-N 0 3 281.359 2.973 20 30 CFEDHN Cc1cccc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000863160442 637575565 /nfs/dbraw/zinc/57/55/65/637575565.db2.gz FEPTXHDPRYPZHX-AWEZNQCLSA-N 0 3 258.369 2.806 20 30 CFEDHN C#CCCCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000120133797 638041680 /nfs/dbraw/zinc/04/16/80/638041680.db2.gz JBPUNNMKVFZPBU-UHFFFAOYSA-N 0 3 278.440 2.903 20 30 CFEDHN CN(C)CCSc1c(Br)cccc1C#N ZINC000865603156 638452631 /nfs/dbraw/zinc/45/26/31/638452631.db2.gz BPWGDUQDDYYPFM-UHFFFAOYSA-N 0 3 285.210 2.974 20 30 CFEDHN C=CCCNCc1cc(Br)cnc1OC ZINC000865623301 638470364 /nfs/dbraw/zinc/47/03/64/638470364.db2.gz NJAPFPVXSKQDJG-UHFFFAOYSA-N 0 3 271.158 2.518 20 30 CFEDHN CC(C)n1ccnc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865846915 638609882 /nfs/dbraw/zinc/60/98/82/638609882.db2.gz AWVAHQPXYGMYBW-MRXNPFEDSA-N 0 3 280.375 2.593 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1ccncc1Cl)C2 ZINC000865847074 638610405 /nfs/dbraw/zinc/61/04/05/638610405.db2.gz FZDMTPQZJVPUDN-HNNXBMFYSA-N 0 3 283.762 2.864 20 30 CFEDHN Cc1csc(CN[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865848741 638611107 /nfs/dbraw/zinc/61/11/07/638611107.db2.gz PMJIYQIRQSCHHL-CQSZACIVSA-N 0 3 269.373 2.580 20 30 CFEDHN C=CCN1CCC(N[C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866261746 638783149 /nfs/dbraw/zinc/78/31/49/638783149.db2.gz YUNMUWLAEKJUFA-RDJZCZTQSA-N 0 3 290.382 2.698 20 30 CFEDHN C[C@@H](C1CC1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000866589357 638850244 /nfs/dbraw/zinc/85/02/44/638850244.db2.gz GLUBMRSJZCSNFV-LBPRGKRZSA-N 0 3 273.355 2.618 20 30 CFEDHN C#CCN(C(=O)NCCC(C)(C)CC)C1CCN(C)CC1 ZINC000923606613 639049950 /nfs/dbraw/zinc/04/99/50/639049950.db2.gz LLULVKSHJMTMQV-UHFFFAOYSA-N 0 3 293.455 2.552 20 30 CFEDHN CN(CCOC(=O)C1(C#N)CC2(CC2)C1)Cc1ccccc1 ZINC000869613557 639323213 /nfs/dbraw/zinc/32/32/13/639323213.db2.gz CZEQXSQKCRXAJD-UHFFFAOYSA-N 0 3 298.386 2.746 20 30 CFEDHN N#CC(C(=O)C1=CCCCC1)c1nnc2n1CCCCC2 ZINC000123461856 641180359 /nfs/dbraw/zinc/18/03/59/641180359.db2.gz PGLPXKREOGMJPF-CYBMUJFWSA-N 0 3 284.363 2.681 20 30 CFEDHN C=CC(C)(C)CCCNC(=S)NC1CCN(C)CC1 ZINC000871682265 641401240 /nfs/dbraw/zinc/40/12/40/641401240.db2.gz VSQAVLBHJUXNNX-UHFFFAOYSA-N 0 3 283.485 2.537 20 30 CFEDHN C=C(C)COCCN[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871874836 641493989 /nfs/dbraw/zinc/49/39/89/641493989.db2.gz XBMHTNSKCTUUSY-MRXNPFEDSA-N 0 3 290.407 2.894 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cccc(O)c1F ZINC000872047223 641581028 /nfs/dbraw/zinc/58/10/28/641581028.db2.gz CZFWMTSUFPGWTQ-JTQLQIEISA-N 0 3 253.342 2.548 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(O)ccc1F ZINC000872078067 641610552 /nfs/dbraw/zinc/61/05/52/641610552.db2.gz OTOFHPWZHKHHTE-GHMZBOCLSA-N 0 3 253.317 2.509 20 30 CFEDHN C=CCCN(C)Cn1ncc2c1ccc(C)c2C(=O)OC ZINC000872599279 641871030 /nfs/dbraw/zinc/87/10/30/641871030.db2.gz LLOUJRHPDXFNTH-UHFFFAOYSA-N 0 3 287.363 2.597 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1CCC2(CCC2)C1=O ZINC000872622200 641879131 /nfs/dbraw/zinc/87/91/31/641879131.db2.gz AXBCUSPBZRQNFY-OKILXGFUSA-N 0 3 260.381 2.530 20 30 CFEDHN C#C[C@H](NCc1cccc2ncccc12)[C@H]1CCCO1 ZINC000873109112 642014031 /nfs/dbraw/zinc/01/40/31/642014031.db2.gz ZYJSKLASZUZULZ-DOTOQJQBSA-N 0 3 266.344 2.505 20 30 CFEDHN C=C(Br)CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000125199215 642540373 /nfs/dbraw/zinc/54/03/73/642540373.db2.gz LGEPWEJUSSKJHO-MWLCHTKSSA-N 0 3 262.191 2.688 20 30 CFEDHN N#Cc1ccc(CNCCCSc2nccs2)o1 ZINC000084044722 650771874 /nfs/dbraw/zinc/77/18/74/650771874.db2.gz UFMVGHQNCBKMOK-UHFFFAOYSA-N 0 3 279.390 2.880 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(SC)c1 ZINC000876545305 642913100 /nfs/dbraw/zinc/91/31/00/642913100.db2.gz CZAVFICUUYNECU-LLVKDONJSA-N 0 3 270.785 2.817 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)c(C)c1 ZINC000876545449 642913429 /nfs/dbraw/zinc/91/34/29/642913429.db2.gz MTXDAJCTPUTCMX-GFCCVEGCSA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCCCCCC1 ZINC000876547262 642916083 /nfs/dbraw/zinc/91/60/83/642916083.db2.gz NEKZKGBOLWAWAV-LBPRGKRZSA-N 0 3 258.793 2.685 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CC)c1 ZINC000876548528 642916344 /nfs/dbraw/zinc/91/63/44/642916344.db2.gz KJZUULLFIWYCGW-GFCCVEGCSA-N 0 3 252.745 2.657 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000876548777 642916426 /nfs/dbraw/zinc/91/64/26/642916426.db2.gz SQEOLWQYNMFRSA-SNVBAGLBSA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCCC(C)C ZINC000876548067 642916830 /nfs/dbraw/zinc/91/68/30/642916830.db2.gz RYIGWNGPYTXCNO-RYUDHWBXSA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1ccccc1C ZINC000876548987 642916908 /nfs/dbraw/zinc/91/69/08/642916908.db2.gz FTFLCECBORSNQK-GFCCVEGCSA-N 0 3 266.772 2.818 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000876558690 642921074 /nfs/dbraw/zinc/92/10/74/642921074.db2.gz ROVJYLKPTLORGE-PELKAZGASA-N 0 3 288.725 2.612 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000876570676 642928195 /nfs/dbraw/zinc/92/81/95/642928195.db2.gz LCZZQAGPAMHQMS-UONOGXRCSA-N 0 3 278.783 2.820 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000876571144 642928580 /nfs/dbraw/zinc/92/85/80/642928580.db2.gz HAOAYTMJIVAWLQ-KGLIPLIRSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000876581747 642932736 /nfs/dbraw/zinc/93/27/36/642932736.db2.gz PBZFZRZEKANYTD-ZWNOBZJWSA-N 0 3 284.762 2.815 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000876586717 642934848 /nfs/dbraw/zinc/93/48/48/642934848.db2.gz ILADUNXKDCEUND-GFCCVEGCSA-N 0 3 282.746 2.575 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccs1)C(C)C ZINC000876594735 642938024 /nfs/dbraw/zinc/93/80/24/642938024.db2.gz QCUATELYWDHFOK-LBPRGKRZSA-N 0 3 286.828 2.955 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000876603465 642941570 /nfs/dbraw/zinc/94/15/70/642941570.db2.gz SQIRIVDQFSMAQK-ZWNOBZJWSA-N 0 3 278.783 2.997 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC000876602817 642941785 /nfs/dbraw/zinc/94/17/85/642941785.db2.gz GXRNFYSAINAGNK-GRYCIOLGSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000876613286 642944665 /nfs/dbraw/zinc/94/46/65/642944665.db2.gz AVBBVNVHHPVMSV-QWHCGFSZSA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000876617591 642946730 /nfs/dbraw/zinc/94/67/30/642946730.db2.gz DDJNAACMFAMMQH-KGLIPLIRSA-N 0 3 294.782 2.526 20 30 CFEDHN CCN(Cc1cc(C#N)ccc1N(C)C)C[C@H]1CCCO1 ZINC000876633063 642951089 /nfs/dbraw/zinc/95/10/89/642951089.db2.gz LYDJQZZCAUJLPB-MRXNPFEDSA-N 0 3 287.407 2.625 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2C)C1 ZINC000876638784 642953484 /nfs/dbraw/zinc/95/34/84/642953484.db2.gz ODZZXUWYDJDGLP-ZFWWWQNUSA-N 0 3 292.810 2.781 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)Cc1ccccc1 ZINC000876637157 642953499 /nfs/dbraw/zinc/95/34/99/642953499.db2.gz RPDFIHRUAJLUEN-KGLIPLIRSA-N 0 3 280.799 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3 293.436 2.635 20 30 CFEDHN C=CCC1(O)CCN(CCc2ccccc2F)CC1 ZINC000886778815 647133830 /nfs/dbraw/zinc/13/38/30/647133830.db2.gz WKLPDKVDKRUBTP-UHFFFAOYSA-N 0 3 263.356 2.771 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886837911 647158201 /nfs/dbraw/zinc/15/82/01/647158201.db2.gz OVJRQPFUQDFGLR-GDBMZVCRSA-N 0 3 274.339 2.698 20 30 CFEDHN C=C(C)[C@@H](CO)N1Cc2ccccc2OC2(CCC2)C1 ZINC000887149979 647232757 /nfs/dbraw/zinc/23/27/57/647232757.db2.gz RLCAUOJEBBBYHX-OAHLLOKOSA-N 0 3 273.376 2.741 20 30 CFEDHN CCCN(C)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000887704778 647394322 /nfs/dbraw/zinc/39/43/22/647394322.db2.gz UIWFNRVZHFUXOY-UHFFFAOYSA-N 0 3 299.418 2.606 20 30 CFEDHN COc1ccccc1[C@H]1CC[C@H](C)CN1C[C@H](O)CC#N ZINC000930448948 647893214 /nfs/dbraw/zinc/89/32/14/647893214.db2.gz YHNZDBRBQHXOHE-SQWLQELKSA-N 0 3 288.391 2.743 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)OCCN1CCCCC1 ZINC000924390641 647971039 /nfs/dbraw/zinc/97/10/39/647971039.db2.gz DPBIVRFCMZFVLP-UHFFFAOYSA-N 0 3 272.348 2.509 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(C(=O)NC2CC2)c1 ZINC000924838140 648056013 /nfs/dbraw/zinc/05/60/13/648056013.db2.gz PDYKDRJPIHEHPT-ZDUSSCGKSA-N 0 3 299.418 2.997 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCC(=O)N(C)C1CCCCC1 ZINC000925212875 648132341 /nfs/dbraw/zinc/13/23/41/648132341.db2.gz NKELFKNDIOOFTE-ZDUSSCGKSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCSCCN[C@H](C)c1cnnn1-c1ccccc1 ZINC000925349724 648158148 /nfs/dbraw/zinc/15/81/48/648158148.db2.gz BXGAVUDUYTWANE-CYBMUJFWSA-N 0 3 288.420 2.837 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NC[C@H](O)c1c(F)cccc1F ZINC000925457284 648174255 /nfs/dbraw/zinc/17/42/55/648174255.db2.gz RTXMXXWRFNWENI-GWCFXTLKSA-N 0 3 282.334 2.916 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1ccsc1 ZINC000926198177 648431360 /nfs/dbraw/zinc/43/13/60/648431360.db2.gz JHAWRTTYVBYPBR-CMPLNLGQSA-N 0 3 252.383 2.699 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2cn(C(C)C)nn2)CC1 ZINC000926838720 648632078 /nfs/dbraw/zinc/63/20/78/648632078.db2.gz GPUJQQRTXDIZLI-MGPQQGTHSA-N 0 3 260.385 2.702 20 30 CFEDHN C=CCC[C@@H](NCCO[C@@H]1CCOC1)c1ccco1 ZINC000927081313 648702825 /nfs/dbraw/zinc/70/28/25/648702825.db2.gz OLVHDDJEYIRYRY-ZIAGYGMSSA-N 0 3 265.353 2.682 20 30 CFEDHN C=CCC[C@@H](C)NCc1nc2c(s1)COCC2 ZINC000927120233 648719105 /nfs/dbraw/zinc/71/91/05/648719105.db2.gz FYJHVQOFLWBCRU-SNVBAGLBSA-N 0 3 252.383 2.660 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1nc2c(s1)COCC2 ZINC000927118733 648719795 /nfs/dbraw/zinc/71/97/95/648719795.db2.gz UZSHMSXUUZBLBL-WDEREUQCSA-N 0 3 266.410 2.906 20 30 CFEDHN COc1ccccc1[C@H](C)NCCNc1ccc(C#N)cn1 ZINC000927164745 648733769 /nfs/dbraw/zinc/73/37/69/648733769.db2.gz LWWQFSCQISNAKE-ZDUSSCGKSA-N 0 3 296.374 2.725 20 30 CFEDHN C=CCN(CCc1nnc(C)o1)Cc1cccs1 ZINC000929141829 648988990 /nfs/dbraw/zinc/98/89/90/648988990.db2.gz WUGKFKQGRUZSOG-UHFFFAOYSA-N 0 3 263.366 2.670 20 30 CFEDHN C=CCN(CCOC1CC1)Cc1ccc(OC)cc1 ZINC000929318562 649030244 /nfs/dbraw/zinc/03/02/44/649030244.db2.gz YGCBVVVJQCLFHR-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN C#CCN(CCOCCOCC)[C@@H]1CCc2ccccc21 ZINC000929335259 649033793 /nfs/dbraw/zinc/03/37/93/649033793.db2.gz VBBGFSZTGNAHBF-GOSISDBHSA-N 0 3 287.403 2.662 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NCc1ccccc1CN(C)C ZINC000929419430 649047025 /nfs/dbraw/zinc/04/70/25/649047025.db2.gz XVTWNHCZWGCJRA-AWEZNQCLSA-N 0 3 274.408 2.967 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000929467400 649054524 /nfs/dbraw/zinc/05/45/24/649054524.db2.gz AFUCVHOMIGGCTC-RDJZCZTQSA-N 0 3 288.435 2.878 20 30 CFEDHN C#CCC1(NC(=O)Nc2cccc(CN(C)C)c2)CCC1 ZINC000929563591 649069300 /nfs/dbraw/zinc/06/93/00/649069300.db2.gz PGQMXYCHFYWRKI-UHFFFAOYSA-N 0 3 285.391 2.816 20 30 CFEDHN C=CC[C@H]1CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000929563066 649069622 /nfs/dbraw/zinc/06/96/22/649069622.db2.gz KIQRWFZWBWEWDW-HNNXBMFYSA-N 0 3 273.380 2.931 20 30 CFEDHN C=C1CCN(C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000929603801 649076300 /nfs/dbraw/zinc/07/63/00/649076300.db2.gz NDIKLLWSUIPPKG-IAGOWNOFSA-N 0 3 275.392 2.513 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCN(C2CCC2)CC1 ZINC000929638803 649084150 /nfs/dbraw/zinc/08/41/50/649084150.db2.gz IJWKBSSHOSRNIW-UHFFFAOYSA-N 0 3 283.419 2.845 20 30 CFEDHN CO[C@@]1(C)C[C@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929756339 649112975 /nfs/dbraw/zinc/11/29/75/649112975.db2.gz FANWHEAEQRDISA-HOCLYGCPSA-N 0 3 273.380 2.589 20 30 CFEDHN C[C@@H]1C[C@H]1[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930238045 649212140 /nfs/dbraw/zinc/21/21/40/649212140.db2.gz MBEATIIPRYNSIV-QZKOUSHUSA-N 0 3 278.783 2.901 20 30 CFEDHN CCCOc1ccc(C(C)(C)NC[C@H](O)CC#N)cc1 ZINC000930302355 649225789 /nfs/dbraw/zinc/22/57/89/649225789.db2.gz KZYSOYOARYCVRC-CQSZACIVSA-N 0 3 276.380 2.575 20 30 CFEDHN C[C@H](NC[C@H](O)CC#N)c1ccc(Oc2cccnc2)cc1 ZINC000930496358 649261228 /nfs/dbraw/zinc/26/12/28/649261228.db2.gz NBSNVWGPHJFQQK-DZGCQCFKSA-N 0 3 297.358 2.799 20 30 CFEDHN CN(Cc1ccsc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000035719204 649308994 /nfs/dbraw/zinc/30/89/94/649308994.db2.gz XGRBWXMZLKNSFN-OAHLLOKOSA-N 0 3 272.373 2.785 20 30 CFEDHN CN(Cc1ccsc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000035719203 649309102 /nfs/dbraw/zinc/30/91/02/649309102.db2.gz XGRBWXMZLKNSFN-HNNXBMFYSA-N 0 3 272.373 2.785 20 30 CFEDHN N#CC[C@]1(O)CCN(C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000930819231 649331279 /nfs/dbraw/zinc/33/12/79/649331279.db2.gz UXCVYYVHYPXKSH-HOTGVXAUSA-N 0 3 292.423 2.609 20 30 CFEDHN C[C@H](O)CN(Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000930891545 649344829 /nfs/dbraw/zinc/34/48/29/649344829.db2.gz JXCXDXDMNCRKSM-JTQLQIEISA-N 0 3 264.756 2.557 20 30 CFEDHN COc1ccc2c(c1)C[C@H](CN1CCC[C@H](CC#N)C1)O2 ZINC000930923441 649350865 /nfs/dbraw/zinc/35/08/65/649350865.db2.gz PPDUVEPHOIVJAV-CZUORRHYSA-N 0 3 286.375 2.624 20 30 CFEDHN C=CCN(CC[S@](=O)C(F)(F)F)C(C)(C)C ZINC000931017016 649365892 /nfs/dbraw/zinc/36/58/92/649365892.db2.gz LJDHYTLXRVPBQH-INIZCTEOSA-N 0 3 257.321 2.541 20 30 CFEDHN N#CC1CCC(CN2CCOc3ccc(O)cc3C2)CC1 ZINC000931064059 649374009 /nfs/dbraw/zinc/37/40/09/649374009.db2.gz KZVJBGOSJZMMMV-UHFFFAOYSA-N 0 3 286.375 2.917 20 30 CFEDHN C#CC1(O)CCN([C@H](CC)c2ccc(F)cc2)CC1 ZINC000931143344 649386776 /nfs/dbraw/zinc/38/67/76/649386776.db2.gz HKOPFXQFCOYBFV-OAHLLOKOSA-N 0 3 261.340 2.737 20 30 CFEDHN C#Cc1ccc(NC(=O)CCN[C@@H](C)c2ccns2)cc1 ZINC000931333879 649411102 /nfs/dbraw/zinc/41/11/02/649411102.db2.gz YFRAQSRBGDZUCB-LBPRGKRZSA-N 0 3 299.399 2.804 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000931466657 649434571 /nfs/dbraw/zinc/43/45/71/649434571.db2.gz FKDLBJIWICOZQO-ZWKOTPCHSA-N 0 3 293.370 2.651 20 30 CFEDHN C=CCCC[C@H](NC[C@H](O)CC#N)c1ccccc1 ZINC000931694140 649473925 /nfs/dbraw/zinc/47/39/25/649473925.db2.gz HTXAVPLGYCJNRJ-CVEARBPZSA-N 0 3 258.365 2.948 20 30 CFEDHN CCN(C(=O)Nc1sccc1C#N)[C@H]1CCN(CC)C1 ZINC000931834997 649497570 /nfs/dbraw/zinc/49/75/70/649497570.db2.gz JZUVVGMXVGYFMA-LBPRGKRZSA-N 0 3 292.408 2.568 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)[C@H]2CCCN2C(C)C)c1 ZINC000931881187 649504381 /nfs/dbraw/zinc/50/43/81/649504381.db2.gz ROSQNXSIOCTWFD-MRXNPFEDSA-N 0 3 270.376 2.504 20 30 CFEDHN Cc1nc([C@@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936701 649515630 /nfs/dbraw/zinc/51/56/30/649515630.db2.gz FKCCMIUVPUBWAU-XHDPSFHLSA-N 0 3 282.347 2.800 20 30 CFEDHN C=CC1(CC(=O)N[C@H]2CCCN(C)C2)CCCCC1 ZINC000932070339 649531351 /nfs/dbraw/zinc/53/13/51/649531351.db2.gz GYTNITMQZSRBHL-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1COC(C)(C)C ZINC000932171892 649558753 /nfs/dbraw/zinc/55/87/53/649558753.db2.gz JQOFAGUUNHHRGC-HNNXBMFYSA-N 0 3 296.455 2.691 20 30 CFEDHN N#CCCOCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932215157 649565309 /nfs/dbraw/zinc/56/53/09/649565309.db2.gz UYTGFHSZJRMUOL-OAHLLOKOSA-N 0 3 286.375 2.953 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000932388472 649590740 /nfs/dbraw/zinc/59/07/40/649590740.db2.gz LGUKQYWOIBFMCD-CQSZACIVSA-N 0 3 269.747 2.856 20 30 CFEDHN C#CCN(Cc1cccc(NC(C)=O)c1)C(C)(C)C ZINC000932463363 649605426 /nfs/dbraw/zinc/60/54/26/649605426.db2.gz FCGNEBXKLCBGCH-UHFFFAOYSA-N 0 3 258.365 2.879 20 30 CFEDHN N#Cc1cnccc1CN1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932889069 649658208 /nfs/dbraw/zinc/65/82/08/649658208.db2.gz BNRZEXBENFEKJI-NVXWUHKLSA-N 0 3 267.376 2.964 20 30 CFEDHN C#CCC1(NCc2nccn2CC(F)F)CCCCC1 ZINC000933262649 649683424 /nfs/dbraw/zinc/68/34/24/649683424.db2.gz BZNQZPQBOAJZRW-UHFFFAOYSA-N 0 3 281.350 2.964 20 30 CFEDHN C#CCC1(NCc2ccc(C(=O)OC)o2)CCCCC1 ZINC000933267581 649683931 /nfs/dbraw/zinc/68/39/31/649683931.db2.gz KWFADKVUOXVHJH-UHFFFAOYSA-N 0 3 275.348 2.882 20 30 CFEDHN C#CCC1(NCc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000933296892 649685727 /nfs/dbraw/zinc/68/57/27/649685727.db2.gz QIVHCVCKRHYPNE-UHFFFAOYSA-N 0 3 274.320 2.639 20 30 CFEDHN C#CCC1(NCc2cnc3ccccc3n2)CCC1 ZINC000933295564 649685783 /nfs/dbraw/zinc/68/57/83/649685783.db2.gz VOOXIBIOTSZHBP-UHFFFAOYSA-N 0 3 251.333 2.665 20 30 CFEDHN C#CCC1(NCc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000933295483 649685820 /nfs/dbraw/zinc/68/58/20/649685820.db2.gz UOADPQRNXYTVOG-UHFFFAOYSA-N 0 3 262.284 2.770 20 30 CFEDHN C#CCN(CCO[C@H](C)C#N)[C@H]1CCCc2ccccc21 ZINC000933417093 649692604 /nfs/dbraw/zinc/69/26/04/649692604.db2.gz FQWDIXMVATYMGC-QAPCUYQASA-N 0 3 282.387 2.928 20 30 CFEDHN C[C@](CO)(Cc1ccc(F)cc1)NCC#Cc1ccccc1 ZINC000933447906 649694073 /nfs/dbraw/zinc/69/40/73/649694073.db2.gz YDCRTRSYVJXSGP-LJQANCHMSA-N 0 3 297.373 2.761 20 30 CFEDHN C[C@H](CCC#N)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933469009 649695332 /nfs/dbraw/zinc/69/53/32/649695332.db2.gz YOXFGVQGVXNUBZ-OLZOCXBDSA-N 0 3 281.400 2.620 20 30 CFEDHN Cc1cccc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933653022 649710429 /nfs/dbraw/zinc/71/04/29/649710429.db2.gz APEIQJUZEYTJTR-UHFFFAOYSA-N 0 3 271.360 2.833 20 30 CFEDHN C=C(CC)CN1CCCSC[C@H]1c1cnn(C)c1 ZINC000933976185 649738371 /nfs/dbraw/zinc/73/83/71/649738371.db2.gz NFTNMPYKCKIMSB-AWEZNQCLSA-N 0 3 265.426 2.866 20 30 CFEDHN N#Cc1ccccc1CN[C@@H](CCO)C1CCCC1 ZINC000934006019 649741137 /nfs/dbraw/zinc/74/11/37/649741137.db2.gz JXFBPUPWKFKMFN-INIZCTEOSA-N 0 3 258.365 2.589 20 30 CFEDHN COc1ccccc1N1CCCN(CC2(CC#N)CC2)CC1 ZINC000934178549 649757053 /nfs/dbraw/zinc/75/70/53/649757053.db2.gz CVPKHUYGHAJJAZ-UHFFFAOYSA-N 0 3 299.418 2.901 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(OC)cn1 ZINC000934347952 649778540 /nfs/dbraw/zinc/77/85/40/649778540.db2.gz APECQQAXUSAKET-BBRMVZONSA-N 0 3 276.380 2.554 20 30 CFEDHN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000934473151 649791735 /nfs/dbraw/zinc/79/17/35/649791735.db2.gz XKYURRBRERZANE-UONOGXRCSA-N 0 3 252.402 2.671 20 30 CFEDHN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000934473007 649791799 /nfs/dbraw/zinc/79/17/99/649791799.db2.gz TXTLLDPSAIUJSJ-LJISPDSOSA-N 0 3 264.413 2.815 20 30 CFEDHN C=CC[C@H]1CCN1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000934473145 649791823 /nfs/dbraw/zinc/79/18/23/649791823.db2.gz XKYURRBRERZANE-KBPBESRZSA-N 0 3 252.402 2.671 20 30 CFEDHN C=CCCCN(CC)Cc1cncc(C(=O)OC)c1 ZINC000934643153 649811086 /nfs/dbraw/zinc/81/10/86/649811086.db2.gz QTYRUFASUYOSSN-UHFFFAOYSA-N 0 3 262.353 2.656 20 30 CFEDHN C=CCCCN(CC)Cc1cnc(C2OCCO2)s1 ZINC000934644499 649811149 /nfs/dbraw/zinc/81/11/49/649811149.db2.gz FBTFLXCOAPDPOH-UHFFFAOYSA-N 0 3 282.409 2.977 20 30 CFEDHN C=CCCCN(CC)Cc1cc(C(=O)OC)co1 ZINC000934646679 649811623 /nfs/dbraw/zinc/81/16/23/649811623.db2.gz SHOZFVLGKGUARZ-UHFFFAOYSA-N 0 3 251.326 2.854 20 30 CFEDHN N#Cc1cnccc1CN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934835610 649838032 /nfs/dbraw/zinc/83/80/32/649838032.db2.gz VZRWMQVXOYXWFH-ZBFHGGJFSA-N 0 3 285.391 2.592 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2scnc2C)C1 ZINC001006836799 651129980 /nfs/dbraw/zinc/12/99/80/651129980.db2.gz WJVFASUIRVAQLJ-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001008663123 651152411 /nfs/dbraw/zinc/15/24/11/651152411.db2.gz BJBYLTFTFJUYSE-CQSZACIVSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001010214765 651172073 /nfs/dbraw/zinc/17/20/73/651172073.db2.gz SMCDLZUGQCIUMA-LLVKDONJSA-N 0 3 282.771 2.703 20 30 CFEDHN 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2.859 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001015774688 651213770 /nfs/dbraw/zinc/21/37/70/651213770.db2.gz GQDNFNRVOPFJQN-KRWDZBQOSA-N 0 3 286.419 2.558 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015805581 651214925 /nfs/dbraw/zinc/21/49/25/651214925.db2.gz CZCNCGXXMDKOOS-BBWFWOEESA-N 0 3 284.403 2.557 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015860132 651216433 /nfs/dbraw/zinc/21/64/33/651216433.db2.gz JKRDTIYKSXJFLW-MAUKXSAKSA-N 0 3 298.430 2.566 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3ccsc32)C1 ZINC001015947451 651218762 /nfs/dbraw/zinc/21/87/62/651218762.db2.gz MEQGADAZSIQHBF-AWEZNQCLSA-N 0 3 298.411 2.729 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001016098041 651224559 /nfs/dbraw/zinc/22/45/59/651224559.db2.gz WONJTVQXWYHYHT-OAHLLOKOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001016138525 651225916 /nfs/dbraw/zinc/22/59/16/651225916.db2.gz 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C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](F)C1 ZINC001017554303 651254111 /nfs/dbraw/zinc/25/41/11/651254111.db2.gz VYEMKNQCERLDOP-YHUYYLMFSA-N 0 3 294.414 2.766 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001017801259 651258155 /nfs/dbraw/zinc/25/81/55/651258155.db2.gz UVESXMSOHSRGRO-ZACQAIPSSA-N 0 3 288.435 2.984 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001017972457 651262590 /nfs/dbraw/zinc/26/25/90/651262590.db2.gz WCWTZPGKXMFQHP-LVQVYYBASA-N 0 3 276.424 2.674 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC2CC2)c1 ZINC000115903670 651277400 /nfs/dbraw/zinc/27/74/00/651277400.db2.gz UOMMDTBVYDQAKK-AWEZNQCLSA-N 0 3 270.332 2.833 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2CC(C)(C)C)C1 ZINC001019015786 651278413 /nfs/dbraw/zinc/27/84/13/651278413.db2.gz OUPTWKAZOXQZFJ-INIZCTEOSA-N 0 3 298.430 2.713 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CCCC2)C1 ZINC001019952563 651295079 /nfs/dbraw/zinc/29/50/79/651295079.db2.gz XSVTWLSYXMJCEY-JOCQHMNTSA-N 0 3 270.804 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001020289946 651301002 /nfs/dbraw/zinc/30/10/02/651301002.db2.gz DZVDERCPJFGECS-JHJVBQTASA-N 0 3 282.815 2.556 20 30 CFEDHN Cc1cc(C#N)c(N2CCN(C3CCCC3)CC2)nc1C ZINC001165027921 721855474 /nfs/dbraw/zinc/85/54/74/721855474.db2.gz CMWFAEAEDTXINV-UHFFFAOYSA-N 0 3 284.407 2.635 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937355 782208424 /nfs/dbraw/zinc/20/84/24/782208424.db2.gz CYJTWWMWXPTICJ-OAHLLOKOSA-N 0 3 290.382 2.857 20 30 CFEDHN Cc1cc(C#N)cc(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001155257266 782258238 /nfs/dbraw/zinc/25/82/38/782258238.db2.gz DPIFKJRWGUIJFE-LLVKDONJSA-N 0 3 277.331 2.620 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001086187333 782285420 /nfs/dbraw/zinc/28/54/20/782285420.db2.gz PUMWJVIKGLQYJC-OTVXOJSOSA-N 0 3 296.842 2.970 20 30 CFEDHN CC/C=C(/C)C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001277766120 777803266 /nfs/dbraw/zinc/80/32/66/777803266.db2.gz BOLHGAKAGMVVOG-RNIVLKNTSA-N 0 3 298.430 2.831 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC001168052923 777843070 /nfs/dbraw/zinc/84/30/70/777843070.db2.gz LTZHHUINFBTYQL-HZPDHXFCSA-N 0 3 299.418 2.842 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033255131 780634411 /nfs/dbraw/zinc/63/44/11/780634411.db2.gz UBKMDDFWJVASKM-KRWDZBQOSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033647700 780743330 /nfs/dbraw/zinc/74/33/30/780743330.db2.gz IUCPXJGWNUIKIR-KRWDZBQOSA-N 0 3 298.430 2.520 20 30 CFEDHN CS[C@@H]1CC[C@H]1NCc1cc(C#N)ccc1F ZINC000702354566 780911696 /nfs/dbraw/zinc/91/16/96/780911696.db2.gz ZNCKNCZADNLDIM-CHWSQXEVSA-N 0 3 250.342 2.681 20 30 CFEDHN C#CCCN(C)CCNC(=O)c1cc2cscc2s1 ZINC001266298785 769931682 /nfs/dbraw/zinc/93/16/82/769931682.db2.gz PVNHSTHDIVCSRN-UHFFFAOYSA-N 0 3 292.429 2.648 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)C1CC(F)(F)C1 ZINC001208920911 769965350 /nfs/dbraw/zinc/96/53/50/769965350.db2.gz SVQIXCBDCPXZHY-UHFFFAOYSA-N 0 3 250.292 2.830 20 30 CFEDHN C[Si](C)(C)C#CNCc1ccc(-c2ncon2)cc1 ZINC001167089179 769968528 /nfs/dbraw/zinc/96/85/28/769968528.db2.gz JMXZJGGEWIRZBR-UHFFFAOYSA-N 0 3 271.396 2.665 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001266344311 769992214 /nfs/dbraw/zinc/99/22/14/769992214.db2.gz GIUUOPQLNRSAOS-SJLPKXTDSA-N 0 3 298.430 2.784 20 30 CFEDHN C=CCN(C)CCNC(=O)c1cccc(C2CCC2)c1 ZINC001266348160 769997882 /nfs/dbraw/zinc/99/78/82/769997882.db2.gz XQZPNVGWZMWIAE-UHFFFAOYSA-N 0 3 272.392 2.802 20 30 CFEDHN C#CCCN(C)CCNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001266347930 769998905 /nfs/dbraw/zinc/99/89/05/769998905.db2.gz SXNMKIJUSVWLJF-CQSZACIVSA-N 0 3 298.386 2.608 20 30 CFEDHN CCCCCCCN1CC[C@@H](NC(=O)c2nccs2)C1 ZINC001266350380 770004849 /nfs/dbraw/zinc/00/48/49/770004849.db2.gz SKXCKLYLODJFRV-CYBMUJFWSA-N 0 3 295.452 2.918 20 30 CFEDHN C=CCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC001209430691 770082495 /nfs/dbraw/zinc/08/24/95/770082495.db2.gz BIFSYFAQABHWFF-INIZCTEOSA-N 0 3 266.429 2.529 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1ccc(-n2cccc2)cc1 ZINC001266400612 770092098 /nfs/dbraw/zinc/09/20/98/770092098.db2.gz PPTYNEYLLUARMI-UHFFFAOYSA-N 0 3 297.402 2.715 20 30 CFEDHN CN(C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H]1CCC[C@@H]1C#N ZINC000693106813 770237437 /nfs/dbraw/zinc/23/74/37/770237437.db2.gz DESMLILEWSONGR-LBELIVKGSA-N 0 3 254.324 2.902 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](CC)c2ccc(C)cc2)C1 ZINC001266549686 770313093 /nfs/dbraw/zinc/31/30/93/770313093.db2.gz BPYAAXDZKMPZFC-WMZOPIPTSA-N 0 3 298.430 2.702 20 30 CFEDHN C#CCN(CCC)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001266572999 770357542 /nfs/dbraw/zinc/35/75/42/770357542.db2.gz DQAQJKLUMZFRCQ-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(C)CN(CCNC(=O)[C@@H]1CC[C@H](C)C1)C1CC1 ZINC001266613907 770432612 /nfs/dbraw/zinc/43/26/12/770432612.db2.gz LAGOITIZJUEMEP-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN(CCNC(=O)C[C@@H](C)n1cccc1)C1CC1 ZINC001266617553 770443613 /nfs/dbraw/zinc/44/36/13/770443613.db2.gz OKHRHFWLMQBMSK-OAHLLOKOSA-N 0 3 289.423 2.596 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC(C)C)C1 ZINC001266655842 770490588 /nfs/dbraw/zinc/49/05/88/770490588.db2.gz IGYUTNXESPKAMN-DLBZAZTESA-N 0 3 290.451 2.759 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)C=C(CC)CC)C1 ZINC001266747442 770572574 /nfs/dbraw/zinc/57/25/74/770572574.db2.gz RTMWVGDUFUREFJ-INIZCTEOSA-N 0 3 276.424 2.584 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H]2CCCN(C[C@@H](F)CC)C2)C1 ZINC001266760335 770586253 /nfs/dbraw/zinc/58/62/53/770586253.db2.gz CLOYBMZSLVRHHC-CABCVRRESA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1cnc(C)s1 ZINC001266973965 770779709 /nfs/dbraw/zinc/77/97/09/770779709.db2.gz CMYWRIJINWNRIA-LLVKDONJSA-N 0 3 295.452 2.648 20 30 CFEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)nc1 ZINC001140544546 770864983 /nfs/dbraw/zinc/86/49/83/770864983.db2.gz TVDWRNGVFAQRLA-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)/C=C(/C)C1CC1 ZINC001267121954 770922904 /nfs/dbraw/zinc/92/29/04/770922904.db2.gz NUULMUIJZZXADT-CUZBXDDWSA-N 0 3 270.804 2.580 20 30 CFEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)/C=C(/C)CC ZINC001267127960 770927856 /nfs/dbraw/zinc/92/78/56/770927856.db2.gz YTQKYYZPHDQSOU-CUZBXDDWSA-N 0 3 258.793 2.580 20 30 CFEDHN CCOCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000127976671 770947920 /nfs/dbraw/zinc/94/79/20/770947920.db2.gz NXSDJYKDGXIFDL-FOWTUZBSSA-N 0 3 264.369 2.694 20 30 CFEDHN C#CCCCCC(=O)NCCN(C)Cc1cccc(C)c1 ZINC001267192801 773197759 /nfs/dbraw/zinc/19/77/59/773197759.db2.gz SLBYAGNDIRQVCS-UHFFFAOYSA-N 0 3 286.419 2.737 20 30 CFEDHN C#CCCN(C)CCNC(=O)c1cc2ccccc2cc1F ZINC001267207020 773210041 /nfs/dbraw/zinc/21/00/41/773210041.db2.gz YWKZOQZTNQLYRG-UHFFFAOYSA-N 0 3 298.361 2.664 20 30 CFEDHN C=CC1(CC(=O)NCCN(C)CCCF)CCCCC1 ZINC001267221320 773221332 /nfs/dbraw/zinc/22/13/32/773221332.db2.gz CWNSPOOYARHGCQ-UHFFFAOYSA-N 0 3 284.419 2.921 20 30 CFEDHN C=CCN(C)CCNC(=O)Cc1ccc2ccccc2c1 ZINC001267229708 773231525 /nfs/dbraw/zinc/23/15/25/773231525.db2.gz UJRBQXKZQSDCDY-UHFFFAOYSA-N 0 3 282.387 2.616 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1cc(Cl)cs1 ZINC001167660078 773234542 /nfs/dbraw/zinc/23/45/42/773234542.db2.gz ZXGBQYIQSOFSOR-UHFFFAOYSA-N 0 3 293.219 2.864 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001267232987 773234895 /nfs/dbraw/zinc/23/48/95/773234895.db2.gz HKFULHGGFGWQCN-JKSUJKDBSA-N 0 3 290.382 2.553 20 30 CFEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001276946499 775101205 /nfs/dbraw/zinc/10/12/05/775101205.db2.gz LEZOPHDCAAZZAO-PCDJXCHMSA-N 0 3 282.815 2.580 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN(C[C@H](F)CC)C2)C1 ZINC001267302295 775173852 /nfs/dbraw/zinc/17/38/52/775173852.db2.gz ONMXISHVRLXIJR-ZIAGYGMSSA-N 0 3 282.403 2.529 20 30 CFEDHN C#CCN(CCC)CCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001267320537 775200043 /nfs/dbraw/zinc/20/00/43/775200043.db2.gz NPBKPEIWVWEFOF-GOSISDBHSA-N 0 3 290.451 2.974 20 30 CFEDHN C=C(Cl)CNC1CC(CNC(=O)C2(C)CC=CC2)C1 ZINC001100636959 775201792 /nfs/dbraw/zinc/20/17/92/775201792.db2.gz TYGYEHKYOIVXNS-UHFFFAOYSA-N 0 3 282.815 2.580 20 30 CFEDHN C#CCCN[C@H](CNC(=O)CC)c1ccc(C(C)C)cc1 ZINC001267341579 775229130 /nfs/dbraw/zinc/22/91/30/775229130.db2.gz ZTRXFPFXKRIYQE-QGZVFWFLSA-N 0 3 286.419 2.990 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001276985869 775229328 /nfs/dbraw/zinc/22/93/28/775229328.db2.gz KMKNMHVIOSOECK-MRXNPFEDSA-N 0 3 298.430 2.793 20 30 CFEDHN C=C(C)CN[C@H](CNC(=O)CCC)c1ccccc1 ZINC001267345091 775232824 /nfs/dbraw/zinc/23/28/24/775232824.db2.gz BBLSTENTZCASSL-OAHLLOKOSA-N 0 3 260.381 2.810 20 30 CFEDHN CN1CCCC[C@@H]1CO[C@@H](C#N)c1cccc(F)c1 ZINC001224707435 775256204 /nfs/dbraw/zinc/25/62/04/775256204.db2.gz RFKLWGZOGOPLKL-CABCVRRESA-N 0 3 262.328 2.891 20 30 CFEDHN C#CCNCCN(C)C(=O)[C@H](CCC)CC1CCCC1 ZINC001267434983 775323779 /nfs/dbraw/zinc/32/37/79/775323779.db2.gz JPQSFBDOEOYSQX-MRXNPFEDSA-N 0 3 278.440 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)CC(C)C)CC1 ZINC001225142386 775354284 /nfs/dbraw/zinc/35/42/84/775354284.db2.gz KCGPMZJDCFPNEJ-MRXNPFEDSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001225143429 775355291 /nfs/dbraw/zinc/35/52/91/775355291.db2.gz ZSLDJNMUWKUFKM-HNNXBMFYSA-N 0 3 278.440 2.520 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F ZINC001225177808 775360206 /nfs/dbraw/zinc/36/02/06/775360206.db2.gz SPUZTNZTGHYESR-NXEZZACHSA-N 0 3 298.736 2.708 20 30 CFEDHN C#CCCN[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267518164 775413059 /nfs/dbraw/zinc/41/30/59/775413059.db2.gz UBYQMYZIZYZMMD-SJLPKXTDSA-N 0 3 296.414 2.813 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC001225497402 775481686 /nfs/dbraw/zinc/48/16/86/775481686.db2.gz DYCQUXPDJGAOLD-GOSISDBHSA-N 0 3 293.370 2.997 20 30 CFEDHN Cc1cc(C#N)c(OC2CCN(C3CC3)CC2)nc1C ZINC001225529757 775491774 /nfs/dbraw/zinc/49/17/74/775491774.db2.gz VCARPQAFKVFMSG-UHFFFAOYSA-N 0 3 271.364 2.576 20 30 CFEDHN N#CCCOc1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167698022 775527809 /nfs/dbraw/zinc/52/78/09/775527809.db2.gz KJBIBAOOMLDVMK-UHFFFAOYSA-N 0 3 292.342 2.777 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001025191501 775565375 /nfs/dbraw/zinc/56/53/75/775565375.db2.gz JVHZESNRQBLRRC-SJORKVTESA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001025219703 775574322 /nfs/dbraw/zinc/57/43/22/775574322.db2.gz ZCSWSXXLMWILPC-DLBZAZTESA-N 0 3 286.419 2.575 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025236389 775578455 /nfs/dbraw/zinc/57/84/55/775578455.db2.gz UHHYTPSZFMXQTI-HOTGVXAUSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C=C ZINC001025256464 775581103 /nfs/dbraw/zinc/58/11/03/775581103.db2.gz XMVOAOOYDRPSKY-CVEARBPZSA-N 0 3 288.435 2.677 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001025264420 775582610 /nfs/dbraw/zinc/58/26/10/775582610.db2.gz ACTUBBWRBYAIKY-UONOGXRCSA-N 0 3 298.377 2.510 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC001025321541 775599804 /nfs/dbraw/zinc/59/98/04/775599804.db2.gz XYYJTJPMXIGWCA-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001025377855 775628364 /nfs/dbraw/zinc/62/83/64/775628364.db2.gz JAHRBUUYFCVJQY-KGLIPLIRSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cscc2C)C1 ZINC001025380797 775629809 /nfs/dbraw/zinc/62/98/09/775629809.db2.gz JXSOFDHOPWCGAH-KGLIPLIRSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025389616 775636943 /nfs/dbraw/zinc/63/69/43/775636943.db2.gz YBGHGAZIHXTHIQ-RDJZCZTQSA-N 0 3 288.435 2.727 20 30 CFEDHN C=CCCCCCN1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC001267611389 775669060 /nfs/dbraw/zinc/66/90/60/775669060.db2.gz RSCNGINYHQRXHE-CQSZACIVSA-N 0 3 291.395 2.615 20 30 CFEDHN C[NH+](C)[C@H]1CC[C@H](Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226114584 775703867 /nfs/dbraw/zinc/70/38/67/775703867.db2.gz MQVGPWTVHXYOME-RHFIQFJPSA-N 0 3 262.353 2.746 20 30 CFEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603728 775705464 /nfs/dbraw/zinc/70/54/64/775705464.db2.gz XEVOALGQBMAPSC-AEFFLSMTSA-N 0 3 298.430 2.849 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603730 775706530 /nfs/dbraw/zinc/70/65/30/775706530.db2.gz XEVOALGQBMAPSC-SJLPKXTDSA-N 0 3 298.430 2.849 20 30 CFEDHN CC(C)c1ccc(C#N)c(O[C@@H]2CCN(C(C)C)C2)n1 ZINC001226356928 775789695 /nfs/dbraw/zinc/78/96/95/775789695.db2.gz VKYRXAQFYPJQFT-CQSZACIVSA-N 0 3 273.380 2.938 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001267703195 775790159 /nfs/dbraw/zinc/79/01/59/775790159.db2.gz TVBYKWXTFGKIOX-GJZGRUSLSA-N 0 3 288.391 2.761 20 30 CFEDHN C=C(C)CN[C@@H]1CN(C(=O)CCCC)C[C@H]1C(F)(F)F ZINC001112049853 775851238 /nfs/dbraw/zinc/85/12/38/775851238.db2.gz GSWXSERWULBMDT-VXGBXAGGSA-N 0 3 292.345 2.732 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001267750442 775879012 /nfs/dbraw/zinc/87/90/12/775879012.db2.gz FQAKAJXGKJXRNC-HUUCEWRRSA-N 0 3 278.440 2.663 20 30 CFEDHN C#CCCCCCC(=O)N(C)[C@H]1CCN(CC(=C)C)C1 ZINC001267767059 775900430 /nfs/dbraw/zinc/90/04/30/775900430.db2.gz CLHJCKQUSCDYGO-INIZCTEOSA-N 0 3 276.424 2.679 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccco2)C1 ZINC001267776605 775918507 /nfs/dbraw/zinc/91/85/07/775918507.db2.gz LNNSPUVPAMXMQY-GJZGRUSLSA-N 0 3 290.407 2.882 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001267788381 775931069 /nfs/dbraw/zinc/93/10/69/775931069.db2.gz WEWSFLMVVBMMNX-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001267790353 775932173 /nfs/dbraw/zinc/93/21/73/775932173.db2.gz KRSRDMZAUZKZSD-INIZCTEOSA-N 0 3 290.451 2.759 20 30 CFEDHN C/C=C(/C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001267798923 775940779 /nfs/dbraw/zinc/94/07/79/775940779.db2.gz ABNVVECAOJNDBA-MCWZUMHDSA-N 0 3 291.420 2.570 20 30 CFEDHN CC(=O)c1cc(C#N)ccc1O[C@H]1CCN(C(C)C)C1 ZINC001226974079 776041878 /nfs/dbraw/zinc/04/18/78/776041878.db2.gz BSODAVNKYODKOJ-AWEZNQCLSA-N 0 3 272.348 2.622 20 30 CFEDHN C=CCOCCN1CCC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001267937653 776070240 /nfs/dbraw/zinc/07/02/40/776070240.db2.gz QRBGFJLIPFZAQE-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN CN1CC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227164097 776121894 /nfs/dbraw/zinc/12/18/94/776121894.db2.gz IYTRMXSMZGBISO-JTQLQIEISA-N 0 3 270.254 2.660 20 30 CFEDHN C#CCCCCC(=O)NCCNCc1ccc(C)c(F)c1 ZINC001125938919 776129746 /nfs/dbraw/zinc/12/97/46/776129746.db2.gz OVGRKQBLIBVJMN-UHFFFAOYSA-N 0 3 290.382 2.534 20 30 CFEDHN C#CCCCCC(=O)NCCNCc1ccc(Cl)s1 ZINC001125951819 776173400 /nfs/dbraw/zinc/17/34/00/776173400.db2.gz XGMUMUJDVUTTPK-UHFFFAOYSA-N 0 3 298.839 2.801 20 30 CFEDHN CC(C)[N@@H+]1CCC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227350943 776183492 /nfs/dbraw/zinc/18/34/92/776183492.db2.gz RBDXVYNMXPOISK-CYBMUJFWSA-N 0 3 260.337 2.515 20 30 CFEDHN CC(C)[N@H+]1CCC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227350943 776183499 /nfs/dbraw/zinc/18/34/99/776183499.db2.gz RBDXVYNMXPOISK-CYBMUJFWSA-N 0 3 260.337 2.515 20 30 CFEDHN N#Cc1cc(OC2CCN(C3CC3)CC2)cnc1Cl ZINC001227744587 776276952 /nfs/dbraw/zinc/27/69/52/776276952.db2.gz KEGGXTVJIIWTCC-UHFFFAOYSA-N 0 3 277.755 2.612 20 30 CFEDHN CCN1CC[C@H](Oc2nc(C)c(Cl)c(C)c2C#N)C1 ZINC001227828045 776300540 /nfs/dbraw/zinc/30/05/40/776300540.db2.gz LMUVCFYCMPDPMB-NSHDSACASA-N 0 3 279.771 2.697 20 30 CFEDHN C=CCCCCCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC001228040517 776373491 /nfs/dbraw/zinc/37/34/91/776373491.db2.gz IPUSGMZNVMXZNQ-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001027603584 776378209 /nfs/dbraw/zinc/37/82/09/776378209.db2.gz LVYKDQQXOFPVFS-WBVHZDCISA-N 0 3 290.451 2.759 20 30 CFEDHN COCCN1CCC(Oc2cc(C)c(C#N)cc2C)CC1 ZINC001228147489 776409520 /nfs/dbraw/zinc/40/95/20/776409520.db2.gz NLCDTAFRKXKPAV-UHFFFAOYSA-N 0 3 288.391 2.665 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001027727413 776428223 /nfs/dbraw/zinc/42/82/23/776428223.db2.gz IODMOJIJYNUHSX-MRXNPFEDSA-N 0 3 272.392 2.765 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001027807110 776457646 /nfs/dbraw/zinc/45/76/46/776457646.db2.gz OGPPICCEOYBBRL-WCVJEAGWSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)C(C)(F)F ZINC001277299533 776489251 /nfs/dbraw/zinc/48/92/51/776489251.db2.gz VKOIJRDUUWEPTG-WDEREUQCSA-N 0 3 296.789 2.905 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001027933468 776517919 /nfs/dbraw/zinc/51/79/19/776517919.db2.gz WVZIITATFASPTH-CYBMUJFWSA-N 0 3 294.345 2.735 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027963851 776530916 /nfs/dbraw/zinc/53/09/16/776530916.db2.gz FNJJNOLIQSANTR-GJZGRUSLSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CC(C)(C)C(=O)NC1CCN(CCOCCCC)CC1 ZINC001228631653 776545561 /nfs/dbraw/zinc/54/55/61/776545561.db2.gz SDOGRCHAMRWUHY-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001028007386 776553704 /nfs/dbraw/zinc/55/37/04/776553704.db2.gz JSRWPNBEBADVSS-AWEZNQCLSA-N 0 3 295.386 2.615 20 30 CFEDHN CCN1CCC[C@@H](OCc2ccc(C#N)s2)C1 ZINC001223288306 776559681 /nfs/dbraw/zinc/55/96/81/776559681.db2.gz HTMMZFOPQMVXES-LLVKDONJSA-N 0 3 250.367 2.621 20 30 CFEDHN FC(F)(F)[C@@H]1CC[C@@H](CNCC#Cc2ccccc2)O1 ZINC000722381904 776565389 /nfs/dbraw/zinc/56/53/89/776565389.db2.gz BWXOKEHDGKKCCU-KBPBESRZSA-N 0 3 283.293 2.738 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043577 776569482 /nfs/dbraw/zinc/56/94/82/776569482.db2.gz RYSKLGXXRYNVTF-LVQVYYBASA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028067892 776582115 /nfs/dbraw/zinc/58/21/15/776582115.db2.gz FEBJNIXITKTDFC-OAHLLOKOSA-N 0 3 297.402 2.857 20 30 CFEDHN N#Cc1ccc(NCCN2CCSCC2)c2cc[nH]c21 ZINC001167837067 776586920 /nfs/dbraw/zinc/58/69/20/776586920.db2.gz LWJMOGOJVZAAFY-UHFFFAOYSA-N 0 3 286.404 2.500 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001028087015 776603480 /nfs/dbraw/zinc/60/34/80/776603480.db2.gz JNBHRIAMXDOCAL-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001028104768 776624643 /nfs/dbraw/zinc/62/46/43/776624643.db2.gz LMZMUGDUBJLTPI-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107672 776627255 /nfs/dbraw/zinc/62/72/55/776627255.db2.gz VNMJJGNCRWUMSW-SFHVURJKSA-N 0 3 298.430 2.857 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001028116328 776636752 /nfs/dbraw/zinc/63/67/52/776636752.db2.gz DOAWCYNRNHXSEW-NRXISQOPSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123259 776642456 /nfs/dbraw/zinc/64/24/56/776642456.db2.gz PMVSRVGYGPNDHJ-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001028160379 776671177 /nfs/dbraw/zinc/67/11/77/776671177.db2.gz STZNHDZOEUKGCZ-GOSISDBHSA-N 0 3 298.430 2.558 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001028168947 776677816 /nfs/dbraw/zinc/67/78/16/776677816.db2.gz NLNREOVIGVHTKA-OAHLLOKOSA-N 0 3 283.375 2.548 20 30 CFEDHN COC(=O)[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)[C@@H]1C ZINC001139726664 776682032 /nfs/dbraw/zinc/68/20/32/776682032.db2.gz YSTCVTMSTYZSAY-CZUORRHYSA-N 0 3 286.375 2.640 20 30 CFEDHN Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1C#N ZINC001139729364 776683644 /nfs/dbraw/zinc/68/36/44/776683644.db2.gz XZKQKURHERJWQX-GOEBONIOSA-N 0 3 268.360 2.668 20 30 CFEDHN C=C(C)CCC(=O)NC[C@@H](NCc1cnoc1C)C(C)C ZINC001268214188 776707943 /nfs/dbraw/zinc/70/79/43/776707943.db2.gz SKENVKVDJSPGCW-OAHLLOKOSA-N 0 3 293.411 2.570 20 30 CFEDHN Cc1cccc(CN(C)CCN(C)C(=O)C#CC(C)C)c1 ZINC001268235817 776714323 /nfs/dbraw/zinc/71/43/23/776714323.db2.gz ODXWSDDYGRHDST-UHFFFAOYSA-N 0 3 286.419 2.545 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CO[C@H]1CCC[C@H](C)C1 ZINC001268252897 776724461 /nfs/dbraw/zinc/72/44/61/776724461.db2.gz GKNOXULHDPPIHH-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028242725 776745645 /nfs/dbraw/zinc/74/56/45/776745645.db2.gz HRUCZOGOHRSVLE-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(Br)CNCC[C@@H](C)NC(=O)CCCC ZINC001268344767 776755635 /nfs/dbraw/zinc/75/56/35/776755635.db2.gz BNZKFPHLDDKVDA-LLVKDONJSA-N 0 3 291.233 2.570 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cscc1C ZINC001268355053 776761169 /nfs/dbraw/zinc/76/11/69/776761169.db2.gz XCKYHSJFZLYVDK-NSHDSACASA-N 0 3 286.828 2.907 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028270185 776776824 /nfs/dbraw/zinc/77/68/24/776776824.db2.gz ZHOUDWWPKSLFCD-OKZBNKHCSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C1CCC(CNC(=O)[C@H](N)CCC(C)C)CC1 ZINC000724458584 776778370 /nfs/dbraw/zinc/77/83/70/776778370.db2.gz MWXBYWOYORXDOX-CQSZACIVSA-N 0 3 252.402 2.613 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001268399305 776786249 /nfs/dbraw/zinc/78/62/49/776786249.db2.gz VGQZNOJTGQEVNI-YDHLFZDLSA-N 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GLBFXCHKTOTKAB-HNNXBMFYSA-N 0 3 297.402 2.938 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028330842 776857756 /nfs/dbraw/zinc/85/77/56/776857756.db2.gz NZOYOMCDHURMTN-SFHVURJKSA-N 0 3 296.414 2.782 20 30 CFEDHN CC#CCNCCN(CC)C(=O)C[C@H](CC)C(C)C ZINC001268492762 776893535 /nfs/dbraw/zinc/89/35/35/776893535.db2.gz NDQHRJRDOKODBF-HNNXBMFYSA-N 0 3 266.429 2.520 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768602 776899164 /nfs/dbraw/zinc/89/91/64/776899164.db2.gz KIXRGZAUQFRFIY-HUUCEWRRSA-N 0 3 284.444 2.572 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001075650656 776948741 /nfs/dbraw/zinc/94/87/41/776948741.db2.gz XKZBPRRRHXYDJD-FIDHJVLJSA-N 0 3 288.435 2.531 20 30 CFEDHN CCN1CCC[C@@H](Oc2nc(C)cc(Cl)c2C#N)C1 ZINC001230183336 776957658 /nfs/dbraw/zinc/95/76/58/776957658.db2.gz LPGMXDODFXAMRP-LLVKDONJSA-N 0 3 279.771 2.778 20 30 CFEDHN CN1CCC[C@@H](Oc2cccc(Br)c2C#N)C1 ZINC001230321339 776979073 /nfs/dbraw/zinc/97/90/73/776979073.db2.gz KHHMIAJANICYFN-SNVBAGLBSA-N 0 3 295.180 2.794 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001028625645 777013150 /nfs/dbraw/zinc/01/31/50/777013150.db2.gz WEYHORUNVBIQDA-DLBZAZTESA-N 0 3 288.435 2.584 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001028625648 777013470 /nfs/dbraw/zinc/01/34/70/777013470.db2.gz WEYHORUNVBIQDA-SJORKVTESA-N 0 3 288.435 2.584 20 30 CFEDHN CC[C@@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268684157 777020958 /nfs/dbraw/zinc/02/09/58/777020958.db2.gz KWXNGXAVFQJZGX-CVEARBPZSA-N 0 3 286.419 2.569 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230603207 777023076 /nfs/dbraw/zinc/02/30/76/777023076.db2.gz JDQOASOKJGWGPU-RYUDHWBXSA-N 0 3 274.355 2.529 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268703826 777025607 /nfs/dbraw/zinc/02/56/07/777025607.db2.gz RUQBHFCWCNADLH-QFBILLFUSA-N 0 3 298.430 2.735 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001268749978 777044678 /nfs/dbraw/zinc/04/46/78/777044678.db2.gz GVFVHNWKRHXVOM-LESCRADOSA-N 0 3 286.419 2.803 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CSC ZINC001230701593 777046746 /nfs/dbraw/zinc/04/67/46/777046746.db2.gz FZWGTSDFDKPZAK-CQSZACIVSA-N 0 3 286.485 2.853 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CSC ZINC001230701592 777047285 /nfs/dbraw/zinc/04/72/85/777047285.db2.gz FZWGTSDFDKPZAK-AWEZNQCLSA-N 0 3 286.485 2.853 20 30 CFEDHN C=C1CC(C)(C(=O)NCC2CN(Cc3cccc(C)c3)C2)C1 ZINC001268879160 777069650 /nfs/dbraw/zinc/06/96/50/777069650.db2.gz MNBADNHXGAMBMF-UHFFFAOYSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C ZINC001268922500 777073829 /nfs/dbraw/zinc/07/38/29/777073829.db2.gz PXWSIMVIIXFTAY-KKUMJFAQSA-N 0 3 288.391 2.841 20 30 CFEDHN C#CCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001268935390 777077480 /nfs/dbraw/zinc/07/74/80/777077480.db2.gz WEHAVLIJEUVYPM-GQGLESIBSA-N 0 3 288.435 2.511 20 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2.644 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001269240491 777148215 /nfs/dbraw/zinc/14/82/15/777148215.db2.gz KYDHSESLLDPXSD-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C(C1CCC1)C1CCC1 ZINC001269278627 777156482 /nfs/dbraw/zinc/15/64/82/777156482.db2.gz MFAINKQQGVXBDI-INIZCTEOSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001269291592 777161192 /nfs/dbraw/zinc/16/11/92/777161192.db2.gz KPSAKSNNNABYMN-RRFJBIMHSA-N 0 3 288.391 2.540 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231217295 777172525 /nfs/dbraw/zinc/17/25/25/777172525.db2.gz PPCXRRAMRXNFBX-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C[C@H]2C=CCCC2)C1 ZINC001269333515 777172852 /nfs/dbraw/zinc/17/28/52/777172852.db2.gz XVFFFWLSOBREMU-DLBZAZTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CCCOC(C)C)C1 ZINC001269360614 777178413 /nfs/dbraw/zinc/17/84/13/777178413.db2.gz GDEJAZMSBOYZES-INIZCTEOSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC1(NC/C=C\Cl)CC1 ZINC001269497122 777199709 /nfs/dbraw/zinc/19/97/09/777199709.db2.gz JEYNEMLCZBVOAT-UITAMQMPSA-N 0 3 270.804 2.580 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC1(NC[C@@H](F)CC)CC1 ZINC001269497129 777199869 /nfs/dbraw/zinc/19/98/69/777199869.db2.gz JIQVSADRIVHAOO-LBPRGKRZSA-N 0 3 270.392 2.575 20 30 CFEDHN CC#CCN1CC[C@]2(CCN(C(=O)CCCC3CC3)C2)C1 ZINC001269738085 777239055 /nfs/dbraw/zinc/23/90/55/777239055.db2.gz YIDVZPFGATURHX-SFHVURJKSA-N 0 3 288.435 2.514 20 30 CFEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001277537555 777264211 /nfs/dbraw/zinc/26/42/11/777264211.db2.gz GZLXUQUHBPHWGP-FUHWJXTLSA-N 0 3 290.451 2.616 20 30 CFEDHN CN1CC2(C1)CCCN(Cc1ccc(C#N)cc1Cl)C2 ZINC001277538308 777266247 /nfs/dbraw/zinc/26/62/47/777266247.db2.gz FBBRUZNDDHFRSJ-UHFFFAOYSA-N 0 3 289.810 2.739 20 30 CFEDHN C#Cc1cccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001231657966 777296073 /nfs/dbraw/zinc/29/60/73/777296073.db2.gz PFJOTBSQCWJRQN-DLBZAZTESA-N 0 3 255.361 2.669 20 30 CFEDHN C#CCN(C(=O)CC1CCCC1)C1CCN(CC=C)CC1 ZINC001270284510 777347636 /nfs/dbraw/zinc/34/76/36/777347636.db2.gz BNFOZCCGWPZYDO-UHFFFAOYSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C(=O)[C@@H](C)[C@H](C)CC)C1CCN(CC=C)CC1 ZINC001270350866 777360438 /nfs/dbraw/zinc/36/04/38/777360438.db2.gz BZNVRIXNUUAHBZ-CVEARBPZSA-N 0 3 290.451 2.781 20 30 CFEDHN C=CCCC(=O)NC[C@@H](C)CNCc1ccncc1Cl ZINC001270371398 777364325 /nfs/dbraw/zinc/36/43/25/777364325.db2.gz GOAXZOOTNYBKDM-LBPRGKRZSA-N 0 3 295.814 2.543 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001029009679 777375336 /nfs/dbraw/zinc/37/53/36/777375336.db2.gz UMXYTJJAVOLDFY-ZDUSSCGKSA-N 0 3 290.432 2.556 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC001231906737 777376654 /nfs/dbraw/zinc/37/66/54/777376654.db2.gz FPHQBHCMEBCJMS-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001075788978 777554044 /nfs/dbraw/zinc/55/40/44/777554044.db2.gz UGDRAUWVTCMWRQ-HRCADAONSA-N 0 3 288.435 2.676 20 30 CFEDHN COc1cccc(CCN(C)Cc2cc(C#N)ccn2)c1 ZINC001232479545 777574892 /nfs/dbraw/zinc/57/48/92/777574892.db2.gz SPNGNKDYKZMHJC-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1cc(C#N)ccn1)C2 ZINC001232476647 777575004 /nfs/dbraw/zinc/57/50/04/777575004.db2.gz VBUYCQPXWFXLOR-WBVHZDCISA-N 0 3 285.391 2.592 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(CCOCCC#N)[C@H]2C ZINC000339080762 777583651 /nfs/dbraw/zinc/58/36/51/777583651.db2.gz NGABIOCJVHPLHK-KBPBESRZSA-N 0 3 288.391 2.933 20 30 CFEDHN C=CCN1CCC[C@@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001270982306 777619861 /nfs/dbraw/zinc/61/98/61/777619861.db2.gz HQGWLUKQFLXYLX-BXUGYJKXSA-N 0 3 276.424 2.913 20 30 CFEDHN N#C[C@H]1CCCN(Cc2cncc3cnccc32)CC1 ZINC001232651245 777630053 /nfs/dbraw/zinc/63/00/53/777630053.db2.gz BNQCEXDTUKCRCC-ZDUSSCGKSA-N 0 3 266.348 2.755 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccns1 ZINC001271075073 777643261 /nfs/dbraw/zinc/64/32/61/777643261.db2.gz KITJBXVFXXYJMD-STQMWFEESA-N 0 3 295.452 2.682 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNC[C@H](F)CC)CCC1 ZINC001271093661 777648621 /nfs/dbraw/zinc/64/86/21/777648621.db2.gz RBEHBOQLWJRKDE-UONOGXRCSA-N 0 3 284.419 2.917 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1CC ZINC001087561200 777655698 /nfs/dbraw/zinc/65/56/98/777655698.db2.gz IVFUSUFGSZVFGF-UONOGXRCSA-N 0 3 276.380 2.665 20 30 CFEDHN CN(Cc1ccc(CCO)cc1)Cc1cccc(C#N)c1 ZINC001232781066 777663414 /nfs/dbraw/zinc/66/34/14/777663414.db2.gz RUHWPZVWNYLFBY-UHFFFAOYSA-N 0 3 280.371 2.725 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2nc(C)sc2C)[C@H]1CC ZINC001087620529 777668463 /nfs/dbraw/zinc/66/84/63/777668463.db2.gz JJEOFWBZMBBMFS-QWHCGFSZSA-N 0 3 293.436 2.529 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1CC ZINC001087698076 777682355 /nfs/dbraw/zinc/68/23/55/777682355.db2.gz GDUMAXNAKDYRGZ-LSDHHAIUSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1CC ZINC001087706045 777683918 /nfs/dbraw/zinc/68/39/18/777683918.db2.gz XGSHHUHDDLYMJR-UONOGXRCSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087717141 777685636 /nfs/dbraw/zinc/68/56/36/777685636.db2.gz SRUYEUXMZNNYQA-APIJFGDWSA-N 0 3 264.413 2.578 20 30 CFEDHN CCN(Cc1cccc(C#N)n1)Cc1ccccc1O ZINC001232926662 777724691 /nfs/dbraw/zinc/72/46/91/777724691.db2.gz ZFMBIWMNCQUYCU-UHFFFAOYSA-N 0 3 267.332 2.681 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001233082363 777791040 /nfs/dbraw/zinc/79/10/40/777791040.db2.gz JZNKYSUSKIUVLE-HNNXBMFYSA-N 0 3 292.329 2.867 20 30 CFEDHN CC(C)CN(C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233097226 777794415 /nfs/dbraw/zinc/79/44/15/777794415.db2.gz RWFBTBSHVYEWQD-UHFFFAOYSA-N 0 3 263.360 2.851 20 30 CFEDHN C=C(C)CN[C@@H](CNC(=O)C1CC1)c1ccccc1CC ZINC001271438233 777852632 /nfs/dbraw/zinc/85/26/32/777852632.db2.gz MYRNJZJJKYYGAR-KRWDZBQOSA-N 0 3 286.419 2.982 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CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233691508 778040587 /nfs/dbraw/zinc/04/05/87/778040587.db2.gz BHXONYWVJSZXQK-HOTGVXAUSA-N 0 3 289.423 2.548 20 30 CFEDHN CN1CCC[C@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233920151 778113093 /nfs/dbraw/zinc/11/30/93/778113093.db2.gz BVNUQNLIUMSXDO-LBPRGKRZSA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001233947018 778118796 /nfs/dbraw/zinc/11/87/96/778118796.db2.gz HHCXSXHCKGAEOU-GOSISDBHSA-N 0 3 298.430 2.831 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088490639 778164072 /nfs/dbraw/zinc/16/40/72/778164072.db2.gz LBPBASVBXNRHGW-ZBFHGGJFSA-N 0 3 276.424 2.559 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001234120806 778170915 /nfs/dbraw/zinc/17/09/15/778170915.db2.gz WCCCQUUHBWJOPT-CQSZACIVSA-N 0 3 292.427 2.526 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)c1ncc[nH]1 ZINC001234120805 778171025 /nfs/dbraw/zinc/17/10/25/778171025.db2.gz WCCCQUUHBWJOPT-AWEZNQCLSA-N 0 3 292.427 2.526 20 30 CFEDHN N#Cc1cc([O-])cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001234141549 778175100 /nfs/dbraw/zinc/17/51/00/778175100.db2.gz PKQLFLBAILKYMY-KRWDZBQOSA-N 0 3 294.354 2.917 20 30 CFEDHN N#Cc1cc([O-])cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001234141549 778175107 /nfs/dbraw/zinc/17/51/07/778175107.db2.gz PKQLFLBAILKYMY-KRWDZBQOSA-N 0 3 294.354 2.917 20 30 CFEDHN CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234159412 778178754 /nfs/dbraw/zinc/17/87/54/778178754.db2.gz AMHSYCBOUGZIRW-ZPUOCTKUSA-N 0 3 290.451 2.925 20 30 CFEDHN CCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234194167 778182514 /nfs/dbraw/zinc/18/25/14/778182514.db2.gz BGOYRITZMKNRGL-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@H]1CCN2CC#CC ZINC001272035375 778191658 /nfs/dbraw/zinc/19/16/58/778191658.db2.gz VMQLHWFKONIIHK-IXDOHACOSA-N 0 3 288.435 2.677 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234536593 778245908 /nfs/dbraw/zinc/24/59/08/778245908.db2.gz FPMAWTQMIGQWHD-AWEZNQCLSA-N 0 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/nfs/dbraw/zinc/48/37/82/778483782.db2.gz BSHJPAVAMWGNPS-HUUCEWRRSA-N 0 3 258.365 2.647 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)[C@H]1C ZINC001088770971 778486066 /nfs/dbraw/zinc/48/60/66/778486066.db2.gz LGEUZZWJMRCZOM-UPJWGTAASA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccsn1 ZINC001235683248 778536045 /nfs/dbraw/zinc/53/60/45/778536045.db2.gz GBANOAIMMQMOFL-OLZOCXBDSA-N 0 3 293.436 2.644 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235761560 778553408 /nfs/dbraw/zinc/55/34/08/778553408.db2.gz TWYZDYUJJVGFSZ-HZPDHXFCSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001076209663 778575235 /nfs/dbraw/zinc/57/52/35/778575235.db2.gz BYLHIOQAJAOQGH-BHDPWAOGSA-N 0 3 294.414 2.624 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001076231730 778577352 /nfs/dbraw/zinc/57/73/52/778577352.db2.gz PUDFSSUGOMDZNB-HZSPNIEDSA-N 0 3 298.377 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076526536 778594173 /nfs/dbraw/zinc/59/41/73/778594173.db2.gz MYHQIXGKZJGATB-DLBZAZTESA-N 0 3 284.403 2.636 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076542761 778595004 /nfs/dbraw/zinc/59/50/04/778595004.db2.gz CGMLOIDXRGBQNB-ZWKOTPCHSA-N 0 3 298.430 2.565 20 30 CFEDHN N#CC1(CN[C@H]2CCc3cc(F)ccc3C2)CCC1 ZINC001168398446 778789777 /nfs/dbraw/zinc/78/97/77/778789777.db2.gz SKJJWUGRTBJRIW-HNNXBMFYSA-N 0 3 258.340 2.966 20 30 CFEDHN C=CCCSCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000696072082 778829866 /nfs/dbraw/zinc/82/98/66/778829866.db2.gz GEGDOQSSALEHDX-UHFFFAOYSA-N 0 3 255.358 2.930 20 30 CFEDHN COc1ccc(C#N)cc1-c1cncc(CN(C)C)c1 ZINC001236546263 778873095 /nfs/dbraw/zinc/87/30/95/778873095.db2.gz DFVSZGQLUBWWSA-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001278001578 778922010 /nfs/dbraw/zinc/92/20/10/778922010.db2.gz BLQBWMWCCXTGOM-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H]1C ZINC001088887099 778937478 /nfs/dbraw/zinc/93/74/78/778937478.db2.gz RMAKKZWUNRBHLA-PBHICJAKSA-N 0 3 286.419 2.557 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970676 778964210 /nfs/dbraw/zinc/96/42/10/778964210.db2.gz KLEHLHZYTKHSHT-GUTXKFCHSA-N 0 3 264.413 2.578 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089003646 778972456 /nfs/dbraw/zinc/97/24/56/778972456.db2.gz BQKDSVTXFBANSK-WBVHZDCISA-N 0 3 284.403 2.519 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(F)cc2)[C@H]1C ZINC001089015812 778973710 /nfs/dbraw/zinc/97/37/10/778973710.db2.gz SFFWEVXGEOQRRF-CJNGLKHVSA-N 0 3 290.382 2.523 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)CCCCC)CC1 ZINC001278023638 778974815 /nfs/dbraw/zinc/97/48/15/778974815.db2.gz CWKXGFAZNHDKAN-UHFFFAOYSA-N 0 3 264.413 2.561 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H]1C ZINC001089039886 778980136 /nfs/dbraw/zinc/98/01/36/778980136.db2.gz LYIBMZQXSZVBMC-DYVFJYSZSA-N 0 3 295.386 2.613 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1C ZINC001089061582 778984081 /nfs/dbraw/zinc/98/40/81/778984081.db2.gz BREJHETXESJZGX-WXGPCXSOSA-N 0 3 290.451 2.968 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065808 778985833 /nfs/dbraw/zinc/98/58/33/778985833.db2.gz CIZZSLPFSGIKBB-PMPSAXMXSA-N 0 3 290.451 2.805 20 30 CFEDHN CCc1cc(CN2CCNC3=CCCC[C@H]32)ccc1C#N ZINC001237227624 779055146 /nfs/dbraw/zinc/05/51/46/779055146.db2.gz CISCYWSBOMDUFI-GOSISDBHSA-N 0 3 281.403 2.962 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC001237461990 779113026 /nfs/dbraw/zinc/11/30/26/779113026.db2.gz DDBHLXWQADELLQ-UHFFFAOYSA-N 0 3 267.332 2.681 20 30 CFEDHN CN(Cc1cn2cc(C#N)ccc2n1)C[C@H]1CC1(C)C ZINC001237605892 779140551 /nfs/dbraw/zinc/14/05/51/779140551.db2.gz FRZISOJGMNKJDY-CYBMUJFWSA-N 0 3 268.364 2.684 20 30 CFEDHN C[C@@H]1CCCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237614847 779142961 /nfs/dbraw/zinc/14/29/61/779142961.db2.gz SBNOUZSAJDQRQL-CYBMUJFWSA-N 0 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LOAJXIHVEHATAC-INIZCTEOSA-N 0 3 298.430 2.849 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccs2)CC(C)(C)C1 ZINC001089307917 779190478 /nfs/dbraw/zinc/19/04/78/779190478.db2.gz WRTJTNLRUFXLCG-CYBMUJFWSA-N 0 3 290.432 2.602 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cccc(-c3ccccn3)n2)C1 ZINC001237834622 779191438 /nfs/dbraw/zinc/19/14/38/779191438.db2.gz YEMKFVVCMJTIIZ-OAHLLOKOSA-N 0 3 277.371 2.989 20 30 CFEDHN COc1cc(CN2C[C@H]3[C@H](CC3(F)F)C2)ccc1C#N ZINC001238410016 779307942 /nfs/dbraw/zinc/30/79/42/779307942.db2.gz MORSRLRRHSGFEB-OLZOCXBDSA-N 0 3 278.302 2.654 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001046749712 779347352 /nfs/dbraw/zinc/34/73/52/779347352.db2.gz NNUNTVIASZOIOP-ZBFHGGJFSA-N 0 3 276.424 2.723 20 30 CFEDHN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C ZINC001099321339 779455058 /nfs/dbraw/zinc/45/50/58/779455058.db2.gz UWRGXLXXARFYOR-AWEZNQCLSA-N 0 3 278.440 2.663 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C ZINC001099321319 779455705 /nfs/dbraw/zinc/45/57/05/779455705.db2.gz UNCFLFPPYREAER-CYBMUJFWSA-N 0 3 266.429 2.825 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)CC(C)(C)C1 ZINC001089417282 779460698 /nfs/dbraw/zinc/46/06/98/779460698.db2.gz XQHZDGKGSGBDQM-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)CC(C)(C)C1 ZINC001089487922 779495094 /nfs/dbraw/zinc/49/50/94/779495094.db2.gz QBRREVXAKHDKIJ-BZUAXINKSA-N 0 3 290.451 2.663 20 30 CFEDHN CN(CCO)Cc1ccccc1C#Cc1ccccc1 ZINC001236256728 779513750 /nfs/dbraw/zinc/51/37/50/779513750.db2.gz SCIVPMQINYOCAN-UHFFFAOYSA-N 0 3 265.356 2.511 20 30 CFEDHN CCCCCCCCOC(=O)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001239330095 779518897 /nfs/dbraw/zinc/51/88/97/779518897.db2.gz MBNJDURLMIUICP-GJZGRUSLSA-N 0 3 298.427 2.546 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001031665041 779522371 /nfs/dbraw/zinc/52/23/71/779522371.db2.gz UQLBTFDYWZJBMU-TZMCWYRMSA-N 0 3 288.391 2.641 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2scc(C)c2Cl)C1 ZINC001031696061 779531925 /nfs/dbraw/zinc/53/19/25/779531925.db2.gz GLAJOPCXXDKVDN-UHFFFAOYSA-N 0 3 298.839 2.948 20 30 CFEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccco1 ZINC001089596116 779534518 /nfs/dbraw/zinc/53/45/18/779534518.db2.gz UKXJNCYZGBWRKH-CQSZACIVSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001089626844 779547299 /nfs/dbraw/zinc/54/72/99/779547299.db2.gz PYQYNVNUKCLJJO-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN CCCCCCCCNC(=S)N1[C@H](C)CNC[C@H]1C ZINC001239444990 779570807 /nfs/dbraw/zinc/57/08/07/779570807.db2.gz DFFBPAHJYNILAG-ZIAGYGMSSA-N 0 3 285.501 2.904 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089702029 779572889 /nfs/dbraw/zinc/57/28/89/779572889.db2.gz SZCAHFQJKQLNGX-UONOGXRCSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001089732174 779579646 /nfs/dbraw/zinc/57/96/46/779579646.db2.gz OAKGKESREINEBG-CQSZACIVSA-N 0 3 289.423 2.730 20 30 CFEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)C ZINC001089775100 779590867 /nfs/dbraw/zinc/59/08/67/779590867.db2.gz DUYQCIZVZJRKBH-XGUBFFRZSA-N 0 3 296.842 2.564 20 30 CFEDHN Cn1ccnc1[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000446850500 779666667 /nfs/dbraw/zinc/66/66/67/779666667.db2.gz ZYEMYTKRFVVVBX-CYBMUJFWSA-N 0 3 286.404 2.733 20 30 CFEDHN C=C1CCC(C(=O)NCC2CN(CC[C@@H](C)F)C2)CC1 ZINC001031951223 779681532 /nfs/dbraw/zinc/68/15/32/779681532.db2.gz FAIGRVCWWLAZOB-CYBMUJFWSA-N 0 3 282.403 2.529 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001032268426 779801483 /nfs/dbraw/zinc/80/14/83/779801483.db2.gz DBDSARIUPUMGIX-KBPBESRZSA-N 0 3 276.405 2.613 20 30 CFEDHN C#CC1CCN(Cc2cc(C)cnc2SC)CC1 ZINC001238720261 779820834 /nfs/dbraw/zinc/82/08/34/779820834.db2.gz JMCKRQDJJBRGOW-UHFFFAOYSA-N 0 3 260.406 2.957 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC ZINC001032423000 779951131 /nfs/dbraw/zinc/95/11/31/779951131.db2.gz QOYXVDWPNYMYMO-STQMWFEESA-N 0 3 284.831 2.850 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)c1 ZINC001032424654 779951921 /nfs/dbraw/zinc/95/19/21/779951921.db2.gz NAAWAIKAPVOVOM-IRXDYDNUSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C(C)CCC(=O)NC[C@@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001107976269 780051557 /nfs/dbraw/zinc/05/15/57/780051557.db2.gz HTZKJTUKGYJMCF-WBVHZDCISA-N 0 3 296.455 2.596 20 30 CFEDHN CCC(=O)N[C@H](C)CCCCNCc1ccccc1C#N ZINC001168616927 780088321 /nfs/dbraw/zinc/08/83/21/780088321.db2.gz GQLUUMOUZCJUOJ-CQSZACIVSA-N 0 3 287.407 2.733 20 30 CFEDHN C[C@@H](O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000140228064 780115844 /nfs/dbraw/zinc/11/58/44/780115844.db2.gz BSXCMVMWJBUYJN-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032661744 780122777 /nfs/dbraw/zinc/12/27/77/780122777.db2.gz FDXQOVQLOPCXNF-ILXRZTDVSA-N 0 3 264.413 2.530 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)o1 ZINC001032670940 780123928 /nfs/dbraw/zinc/12/39/28/780123928.db2.gz UMXSRALXSDLRFY-ILXRZTDVSA-N 0 3 288.391 2.553 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000131674149 780158547 /nfs/dbraw/zinc/15/85/47/780158547.db2.gz VJQLYDLSBQXLDW-CQSZACIVSA-N 0 3 288.347 2.779 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1 ZINC001032742879 780167287 /nfs/dbraw/zinc/16/72/87/780167287.db2.gz ZUVPPFORNRMWEE-PVAVHDDUSA-N 0 3 284.403 2.651 20 30 CFEDHN C=C[C@@H](COC)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC001116644377 780207979 /nfs/dbraw/zinc/20/79/79/780207979.db2.gz ZJAIURGQIBWKAQ-UONOGXRCSA-N 0 3 277.364 2.700 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1C ZINC001032795835 780244351 /nfs/dbraw/zinc/24/43/51/780244351.db2.gz PDNQAXMGGPUNJJ-ULQDDVLXSA-N 0 3 298.430 2.960 20 30 CFEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C)c1ccccc1 ZINC001032796624 780247644 /nfs/dbraw/zinc/24/76/44/780247644.db2.gz FBHXCVOGIDNWHC-OKZBNKHCSA-N 0 3 298.430 2.897 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccco2)C12CCC2 ZINC001078538205 780272820 /nfs/dbraw/zinc/27/28/20/780272820.db2.gz BYGNARPNGMGBBV-QWHCGFSZSA-N 0 3 294.782 2.663 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2=CCCC2)C12CCC2 ZINC001078589197 780281193 /nfs/dbraw/zinc/28/11/93/780281193.db2.gz NTEPKFQFKYJIGV-UONOGXRCSA-N 0 3 294.826 2.866 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(C)nc1C ZINC001128241699 780367209 /nfs/dbraw/zinc/36/72/09/780367209.db2.gz BOYFCBHJINAIAI-UHFFFAOYSA-N 0 3 289.423 2.507 20 30 CFEDHN C=C(C)CCC(=O)NCCNCc1ccc(C)c(F)c1 ZINC001128409013 780429198 /nfs/dbraw/zinc/42/91/98/780429198.db2.gz PPJHHNJNHCEOTH-UHFFFAOYSA-N 0 3 278.371 2.696 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016375120 780431980 /nfs/dbraw/zinc/43/19/80/780431980.db2.gz MEFOURBFOSWZTR-NRXISQOPSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1Cc2ccccc21 ZINC001272985003 780444826 /nfs/dbraw/zinc/44/48/26/780444826.db2.gz JKPLQDFEDYQYTJ-SWLSCSKDSA-N 0 3 292.810 2.563 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)cc2)C1 ZINC001032867840 780490878 /nfs/dbraw/zinc/49/08/78/780490878.db2.gz XFFGJRSPCPQUCN-HNNXBMFYSA-N 0 3 276.355 2.548 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964922 780519268 /nfs/dbraw/zinc/51/92/68/780519268.db2.gz SXPMSSSRKZFHMA-HNNXBMFYSA-N 0 3 262.397 2.596 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033088771 780557423 /nfs/dbraw/zinc/55/74/23/780557423.db2.gz RZVBWPVFRNYZDE-BZSNNMDCSA-N 0 3 298.430 2.899 20 30 CFEDHN CC(C)N1CC[C@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838414 780559778 /nfs/dbraw/zinc/55/97/78/780559778.db2.gz OZJYDHSHERRECZ-NSHDSACASA-N 0 3 266.291 2.698 20 30 CFEDHN C=CCCC(=O)NCC1(NCc2cc(C)ns2)CCC1 ZINC001273055690 780572328 /nfs/dbraw/zinc/57/23/28/780572328.db2.gz NFVIVHOTAYHSIP-UHFFFAOYSA-N 0 3 293.436 2.546 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2c(C)cccc2C)C1 ZINC001033117525 780573352 /nfs/dbraw/zinc/57/33/52/780573352.db2.gz HZXNLRGBJJGSBJ-MRXNPFEDSA-N 0 3 286.419 2.565 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001033132917 780577656 /nfs/dbraw/zinc/57/76/56/780577656.db2.gz AKYGTMYYSBRCRT-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033156616 780585175 /nfs/dbraw/zinc/58/51/75/780585175.db2.gz SYAVDVCDIDMDKV-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033346719 780661909 /nfs/dbraw/zinc/66/19/09/780661909.db2.gz SEWZHLFQELAXPH-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033344385 780662947 /nfs/dbraw/zinc/66/29/47/780662947.db2.gz QTJFUDQYJVIEAL-AWEZNQCLSA-N 0 3 289.423 2.690 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033380881 780666966 /nfs/dbraw/zinc/66/69/66/780666966.db2.gz NEKZFAKDBJQRDQ-HNNXBMFYSA-N 0 3 292.810 2.601 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033562212 780715316 /nfs/dbraw/zinc/71/53/16/780715316.db2.gz NQOKLTZTMQCUED-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033576200 780716633 /nfs/dbraw/zinc/71/66/33/780716633.db2.gz UZXJUFUHTORGCB-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033576203 780716889 /nfs/dbraw/zinc/71/68/89/780716889.db2.gz UZXJUFUHTORGCB-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)CC(F)(F)C2)C1 ZINC001033574579 780717193 /nfs/dbraw/zinc/71/71/93/780717193.db2.gz ZDJVATDWKPTUJW-GFCCVEGCSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033600351 780724727 /nfs/dbraw/zinc/72/47/27/780724727.db2.gz DWSZOZYJSAOYHK-BRWVUGGUSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033664793 780744536 /nfs/dbraw/zinc/74/45/36/780744536.db2.gz IBDNWDGPOMESTA-MRXNPFEDSA-N 0 3 276.424 2.842 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033692725 780751084 /nfs/dbraw/zinc/75/10/84/780751084.db2.gz LVHLLCJLSPAYIF-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033689853 780753534 /nfs/dbraw/zinc/75/35/34/780753534.db2.gz AGOSKMOOTKZZCW-AWEZNQCLSA-N 0 3 297.402 2.809 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033691282 780754911 /nfs/dbraw/zinc/75/49/11/780754911.db2.gz LNWPWSZJUPRPSV-GQGLESIBSA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737395 780769527 /nfs/dbraw/zinc/76/95/27/780769527.db2.gz OHCYDENPNUCYBO-KRWDZBQOSA-N 0 3 284.403 2.555 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cncc(C)c2)C1 ZINC001033781188 780784492 /nfs/dbraw/zinc/78/44/92/780784492.db2.gz PNWJKYYAQBVKAA-MRXNPFEDSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001033785123 780785211 /nfs/dbraw/zinc/78/52/11/780785211.db2.gz YQYKWIDKQQWZAF-CAOSSQGBSA-N 0 3 276.424 2.531 20 30 CFEDHN CO/N=C/c1cc(C2=CCN(C)CC2)cc(F)c1F ZINC001241332325 780785954 /nfs/dbraw/zinc/78/59/54/780785954.db2.gz JPTYHSHGIORHLC-RQZCQDPDSA-N 0 3 266.291 2.664 20 30 CFEDHN CC(C)P(CCNC(=O)C1(C#N)CC1)C(C)C ZINC001143188789 780796080 /nfs/dbraw/zinc/79/60/80/780796080.db2.gz UHNOYLDDTUZSIZ-UHFFFAOYSA-N 0 3 254.314 2.705 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033824602 780797441 /nfs/dbraw/zinc/79/74/41/780797441.db2.gz DTAMGJKHIQPQBY-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033931939 780829740 /nfs/dbraw/zinc/82/97/40/780829740.db2.gz XPZIPAVYFXZVLU-JJXSEGSLSA-N 0 3 276.424 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033951669 780836557 /nfs/dbraw/zinc/83/65/57/780836557.db2.gz KUBGPIFJGNHJQW-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033962404 780845730 /nfs/dbraw/zinc/84/57/30/780845730.db2.gz DCVMEBOOFPCOQS-IXDOHACOSA-N 0 3 290.451 2.615 20 30 CFEDHN COc1cc(C#N)ccc1-c1cncc(CN(C)C)c1 ZINC001241408651 780854171 /nfs/dbraw/zinc/85/41/71/780854171.db2.gz YSMGLRHVMOFBRR-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020265 780856506 /nfs/dbraw/zinc/85/65/06/780856506.db2.gz ISVYUJOSUUWNNM-ULQDDVLXSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020264 780856847 /nfs/dbraw/zinc/85/68/47/780856847.db2.gz ISVYUJOSUUWNNM-BRWVUGGUSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001034079264 780880430 /nfs/dbraw/zinc/88/04/30/780880430.db2.gz CRPXVEUXLRJCHA-OAHLLOKOSA-N 0 3 276.355 2.596 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001034082594 780881549 /nfs/dbraw/zinc/88/15/49/780881549.db2.gz KUOIVDUTOBWWKZ-CQSZACIVSA-N 0 3 290.432 2.664 20 30 CFEDHN C#C[C@@H](NCc1cc(OC)cc(OC)c1)C(C)(C)C ZINC000702281398 780909387 /nfs/dbraw/zinc/90/93/87/780909387.db2.gz GWIOXHKZFMCIOE-OAHLLOKOSA-N 0 3 261.365 2.841 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001034152900 780909451 /nfs/dbraw/zinc/90/94/51/780909451.db2.gz ASZPAGRAMZSJSA-CYBMUJFWSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034153088 780909642 /nfs/dbraw/zinc/90/96/42/780909642.db2.gz ZXKXWGVUPYIPHR-CAOSSQGBSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001034331423 780947899 /nfs/dbraw/zinc/94/78/99/780947899.db2.gz XUYXGLYRUJQGBG-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034345151 780952050 /nfs/dbraw/zinc/95/20/50/780952050.db2.gz MSHGFMZSSKNRDG-DOTOQJQBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001034388193 780962780 /nfs/dbraw/zinc/96/27/80/780962780.db2.gz FEUDIMUDKTWHFO-ZOBUZTSGSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034480204 780980509 /nfs/dbraw/zinc/98/05/09/780980509.db2.gz GYIGKSDTRFFGRT-HOCLYGCPSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034490723 780981652 /nfs/dbraw/zinc/98/16/52/780981652.db2.gz LTWZYTNRKRIFKZ-DOTOQJQBSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034499641 780985787 /nfs/dbraw/zinc/98/57/87/780985787.db2.gz VZBHBCKFRRIMEU-OKZBNKHCSA-N 0 3 298.430 2.947 20 30 CFEDHN CN1CCC=C(c2cccc3[nH]cc(CC#N)c32)C1 ZINC001241570640 780987155 /nfs/dbraw/zinc/98/71/55/780987155.db2.gz LTAJKZWLXUGYHG-UHFFFAOYSA-N 0 3 251.333 2.953 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034545228 780997484 /nfs/dbraw/zinc/99/74/84/780997484.db2.gz ZGENTEGJWFSTLT-SJJHQCBESA-N 0 3 290.451 2.969 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001045600901 781070286 /nfs/dbraw/zinc/07/02/86/781070286.db2.gz IQLHTXKMXAQFMY-YJBOKZPZSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001035652367 781152220 /nfs/dbraw/zinc/15/22/20/781152220.db2.gz SFKWMWVFMFOUNB-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C=C1CCC1)CC2 ZINC001035684116 781157836 /nfs/dbraw/zinc/15/78/36/781157836.db2.gz QWYBFWZBJIIRTP-UHFFFAOYSA-N 0 3 274.408 2.597 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1C[C@H]1C)CC2 ZINC001035786544 781168855 /nfs/dbraw/zinc/16/88/55/781168855.db2.gz GIBSZVYANGBZSZ-CABCVRRESA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CC3(CC3)C1)CC2 ZINC001035792318 781169864 /nfs/dbraw/zinc/16/98/64/781169864.db2.gz OPZFTMVUTMNZJZ-UHFFFAOYSA-N 0 3 288.435 2.677 20 30 CFEDHN COc1ccc(-c2cncc(C#N)c2)cc1CN(C)C ZINC001242274496 781357092 /nfs/dbraw/zinc/35/70/92/781357092.db2.gz PFVFEIPPCHSXCF-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN CC1(C)C[C@H](CN2CCC[C@H](C#N)C2)C(C)(C)O1 ZINC000711262127 781405055 /nfs/dbraw/zinc/40/50/55/781405055.db2.gz NMUINNSERCMDMU-CHWSQXEVSA-N 0 3 250.386 2.816 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@@H](CF)C1 ZINC000711422877 781430477 /nfs/dbraw/zinc/43/04/77/781430477.db2.gz TZGXVGJOXDSORO-ZDUSSCGKSA-N 0 3 262.328 2.619 20 30 CFEDHN COc1cc(CN2CCC[C@@H](CF)C2)ccc1C#N ZINC000711424348 781430614 /nfs/dbraw/zinc/43/06/14/781430614.db2.gz YJAGJJZXGFMJKE-ZDUSSCGKSA-N 0 3 262.328 2.748 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1CCC2(CCC2)O1 ZINC000711432878 781432131 /nfs/dbraw/zinc/43/21/31/781432131.db2.gz QHLATNBADGYZLG-INIZCTEOSA-N 0 3 255.361 2.729 20 30 CFEDHN C#CCNC1(CNC(=O)C[C@@H](CC)C(C)(C)C)CCC1 ZINC001273179773 781470737 /nfs/dbraw/zinc/47/07/37/781470737.db2.gz LQRXEYXNTVTNBI-CQSZACIVSA-N 0 3 278.440 2.711 20 30 CFEDHN Cc1cc(C#N)cc(-c2cccc(CN(C)C)n2)c1 ZINC001242478215 781532213 /nfs/dbraw/zinc/53/22/13/781532213.db2.gz COJDWPZWZSYBTG-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001079731908 781618325 /nfs/dbraw/zinc/61/83/25/781618325.db2.gz NYTGHTKDPAQYGW-NQNKBUKLSA-N 0 3 288.435 2.601 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001079746089 781619456 /nfs/dbraw/zinc/61/94/56/781619456.db2.gz AXDCZNXXBVHAFC-CZUORRHYSA-N 0 3 296.370 2.506 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001080397335 781657714 /nfs/dbraw/zinc/65/77/14/781657714.db2.gz VOQPFSROWDCPOW-DLTWYDFYSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001080884364 781685117 /nfs/dbraw/zinc/68/51/17/781685117.db2.gz XNYQVFKGXINRSG-GDBMZVCRSA-N 0 3 272.392 2.540 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001081013881 781689858 /nfs/dbraw/zinc/68/98/58/781689858.db2.gz HZCWTBOZGKKMRQ-UKRRQHHQSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C[C@H](C)[C@@H](C)C(=O)NCCCNCC=C(Cl)Cl ZINC001164221329 781694680 /nfs/dbraw/zinc/69/46/80/781694680.db2.gz AEFUQPAABVJPFR-WDEREUQCSA-N 0 3 293.238 2.860 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001081018809 781695673 /nfs/dbraw/zinc/69/56/73/781695673.db2.gz OHYGOTGBWJTOCQ-OWCLPIDISA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084453444 781795554 /nfs/dbraw/zinc/79/55/54/781795554.db2.gz OCZUPIICOCCPIO-RRFJBIMHSA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591397 781806899 /nfs/dbraw/zinc/80/68/99/781806899.db2.gz GWYBQLYRTUMFBI-GDBMZVCRSA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC3(C)C)C[C@@H]21 ZINC001085010040 781880786 /nfs/dbraw/zinc/88/07/86/781880786.db2.gz KABVTTYUNZBVBE-ILXRZTDVSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C3CCCC3)C[C@@H]21 ZINC001085072148 781898629 /nfs/dbraw/zinc/89/86/29/781898629.db2.gz KBYHYNXVDJTEBA-UAGQMJEPSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001231062680 781899940 /nfs/dbraw/zinc/89/99/40/781899940.db2.gz RZGRIFQFOMIEFZ-HZPDHXFCSA-N 0 3 296.455 2.691 20 30 CFEDHN C[C@H](Cc1ccccn1)NCc1ccc(C#N)c(F)c1 ZINC000594517168 349439070 /nfs/dbraw/zinc/43/90/70/349439070.db2.gz HKOWILWMFYGWHA-GFCCVEGCSA-N 0 3 269.323 2.813 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@H](NCc2ccc(C#N)cc2)C1 ZINC000594517223 349439370 /nfs/dbraw/zinc/43/93/70/349439370.db2.gz IMQGVMDCSMYWNB-SHTZXODSSA-N 0 3 258.365 2.994 20 30 CFEDHN C[C@@H](Cc1ccccn1)NCc1ccc(C#N)s1 ZINC000594517171 349439390 /nfs/dbraw/zinc/43/93/90/349439390.db2.gz HLCVNNYNANRHQU-NSHDSACASA-N 0 3 257.362 2.736 20 30 CFEDHN CCC(C)(C)N1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000594594769 349455144 /nfs/dbraw/zinc/45/51/44/349455144.db2.gz RLCIXAKNOPMOKY-UHFFFAOYSA-N 0 3 298.434 2.753 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594599411 349457269 /nfs/dbraw/zinc/45/72/69/349457269.db2.gz JQRQDXKXRHKNEL-CVEARBPZSA-N 0 3 284.407 2.999 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594599420 349457369 /nfs/dbraw/zinc/45/73/69/349457369.db2.gz JQRQDXKXRHKNEL-JKSUJKDBSA-N 0 3 284.407 2.999 20 30 CFEDHN CCOC(=O)CCN(Cc1cc(C#N)cs1)C(C)C ZINC000594609771 349462418 /nfs/dbraw/zinc/46/24/18/349462418.db2.gz BXCZLHNCIASRPL-UHFFFAOYSA-N 0 3 280.393 2.783 20 30 CFEDHN N#CC1(c2ccc(CNC[C@@H]3CCCO3)cc2)CC1 ZINC000594929724 349514324 /nfs/dbraw/zinc/51/43/24/349514324.db2.gz WUPHGSFAPGKIHF-HNNXBMFYSA-N 0 3 256.349 2.510 20 30 CFEDHN C[C@@H]1C[C@H](CCNCc2ccc(C#N)cc2F)CCO1 ZINC000273046382 192029239 /nfs/dbraw/zinc/02/92/39/192029239.db2.gz JROIVTJWPMCAON-CHWSQXEVSA-N 0 3 276.355 2.992 20 30 CFEDHN CC(C)n1cc(CNCCc2ccc(C#N)cc2)cn1 ZINC000594954322 349527112 /nfs/dbraw/zinc/52/71/12/349527112.db2.gz FNMZCHCUHAKXQP-UHFFFAOYSA-N 0 3 268.364 2.668 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000594955425 349527292 /nfs/dbraw/zinc/52/72/92/349527292.db2.gz OGSHRFSHRIJHTM-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN C=CCCn1cc(CNC2CCC(CSC)CC2)nn1 ZINC000594955154 349527373 /nfs/dbraw/zinc/52/73/73/349527373.db2.gz KGMREIOTNPDEQU-UHFFFAOYSA-N 0 3 294.468 2.866 20 30 CFEDHN Cc1nc(CNCCc2ccc(C#N)cc2)cs1 ZINC000594954116 349527597 /nfs/dbraw/zinc/52/75/97/349527597.db2.gz BKFWSYNZUZTUSO-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=CCCSCCNCc1cc2c(cc1OC)OCO2 ZINC000594960006 349530555 /nfs/dbraw/zinc/53/05/55/349530555.db2.gz HUIZVGAOICHYBT-UHFFFAOYSA-N 0 3 295.404 2.823 20 30 CFEDHN Cn1ccc(CNC(C)(C)c2cccc(C#N)c2)c1 ZINC000594967571 349534425 /nfs/dbraw/zinc/53/44/25/349534425.db2.gz FHOMRKAOKZBPIS-UHFFFAOYSA-N 0 3 253.349 2.922 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)c(F)c2)CC1(F)F ZINC000594976438 349536470 /nfs/dbraw/zinc/53/64/70/349536470.db2.gz DRZHSQGNCIXMJF-GFCCVEGCSA-N 0 3 254.255 2.832 20 30 CFEDHN C[C@H]1CCC[C@H](CNCc2cc(C#N)cs2)O1 ZINC000594986017 349538816 /nfs/dbraw/zinc/53/88/16/349538816.db2.gz RPWWLOCXBJLAEC-CMPLNLGQSA-N 0 3 250.367 2.667 20 30 CFEDHN COc1cc(CNC[C@@]2(C)CC2(F)F)ccc1C#N ZINC000594976829 349537214 /nfs/dbraw/zinc/53/72/14/349537214.db2.gz HAHUEBXSIHUNII-CYBMUJFWSA-N 0 3 266.291 2.702 20 30 CFEDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000290180256 197622226 /nfs/dbraw/zinc/62/22/26/197622226.db2.gz NKUDILFMFMSIPP-VWYCJHECSA-N 0 3 250.317 2.771 20 30 CFEDHN COc1cc(CNC[C@H]2C(C)(C)C2(F)F)ccc1C#N ZINC000594991586 349541170 /nfs/dbraw/zinc/54/11/70/349541170.db2.gz JFUZYSPSBDJGHK-ZDUSSCGKSA-N 0 3 280.318 2.948 20 30 CFEDHN C[C@@H](CSCCF)NCc1cccc(C#N)c1 ZINC000595007397 349546270 /nfs/dbraw/zinc/54/62/70/349546270.db2.gz MOJUYXJBQJUCBF-NSHDSACASA-N 0 3 252.358 2.739 20 30 CFEDHN C=CCCSCCN[C@H]1CCCc2nn(C)cc21 ZINC000595060193 349570142 /nfs/dbraw/zinc/57/01/42/349570142.db2.gz UFUMHMKRIAZNGA-ZDUSSCGKSA-N 0 3 265.426 2.696 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595061107 349571018 /nfs/dbraw/zinc/57/10/18/349571018.db2.gz PDUOSTISXZMPBZ-KOLCDFICSA-N 0 3 284.285 2.667 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1COC2(CCC2)C1 ZINC000595039138 349559786 /nfs/dbraw/zinc/55/97/86/349559786.db2.gz CXDJCQGZYVJBCE-ZBFHGGJFSA-N 0 3 268.360 2.847 20 30 CFEDHN COC[C@H](CC1CCOCC1)NCC1(C#N)CCCCC1 ZINC000595090305 349577304 /nfs/dbraw/zinc/57/73/04/349577304.db2.gz NDAKBYOYZQQWCY-INIZCTEOSA-N 0 3 294.439 2.882 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1NCC1(C#N)CCCCC1 ZINC000595091061 349578033 /nfs/dbraw/zinc/57/80/33/349578033.db2.gz MVEMBKMZSUKEMW-UKRRQHHQSA-N 0 3 261.413 2.533 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)c(F)c1 ZINC000595090877 349578046 /nfs/dbraw/zinc/57/80/46/349578046.db2.gz PEKOZFKLVOYQRH-COLVAYQJSA-N 0 3 274.339 2.651 20 30 CFEDHN C[C@@H](NC[C@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000595092825 349579369 /nfs/dbraw/zinc/57/93/69/349579369.db2.gz XHBZRZRUXQAOGX-BXUZGUMPSA-N 0 3 276.355 2.757 20 30 CFEDHN C[C@@H](CNC(=O)c1cccc(CC#N)c1)N1CCC[C@@H](C)C1 ZINC000068084345 346834634 /nfs/dbraw/zinc/83/46/34/346834634.db2.gz BMNPLPUPRGGDFJ-CABCVRRESA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@@H]1N(C(=O)[C@@H](N)CCCC#N)c2ccccc2C1(C)C ZINC000595256917 349588150 /nfs/dbraw/zinc/58/81/50/349588150.db2.gz FKQGKOCTYMOORD-JSGCOSHPSA-N 0 3 285.391 2.720 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC2(CCCC2)CC1 ZINC000595257745 349588377 /nfs/dbraw/zinc/58/83/77/349588377.db2.gz VWXVSERJLZMWJX-OAHLLOKOSA-N 0 3 291.439 2.971 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000595256372 349588385 /nfs/dbraw/zinc/58/83/85/349588385.db2.gz NZRRUXBSPWYIGW-HZPDHXFCSA-N 0 3 291.439 2.826 20 30 CFEDHN Cc1cccc2c1CCC[C@@H]2NC(=O)[C@H](N)CCCCC#N ZINC000595260033 349589217 /nfs/dbraw/zinc/58/92/17/349589217.db2.gz SMQFOJYWHBNOLA-SJORKVTESA-N 0 3 299.418 2.900 20 30 CFEDHN CCN(C[C@H](COC)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000595296286 349594600 /nfs/dbraw/zinc/59/46/00/349594600.db2.gz ZHJWBFRBWMZCEP-XJKSGUPXSA-N 0 3 276.380 2.603 20 30 CFEDHN N#Cc1ccc(CN(CCO[C@H]2CC2(F)F)C2CC2)cc1 ZINC000595296511 349594993 /nfs/dbraw/zinc/59/49/93/349594993.db2.gz FFVVINZIQVRALT-HNNXBMFYSA-N 0 3 292.329 2.947 20 30 CFEDHN CS[C@H]1CN(c2c(Cl)cccc2C#N)C[C@H]1N(C)C ZINC000340757697 295672273 /nfs/dbraw/zinc/67/22/73/295672273.db2.gz ZSZPROFMZMOADV-OLZOCXBDSA-N 0 3 295.839 2.693 20 30 CFEDHN CO[C@H](CN[C@@H](CCC#N)c1ccccc1)[C@H]1CCOC1 ZINC000595418187 349619833 /nfs/dbraw/zinc/61/98/33/349619833.db2.gz DHSAAQQDFZGBCI-YESZJQIVSA-N 0 3 288.391 2.673 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@H](C)[C@H](C)O1 ZINC000595447597 349629547 /nfs/dbraw/zinc/62/95/47/349629547.db2.gz IQWRGUDHMWFXLI-MCIONIFRSA-N 0 3 258.365 2.598 20 30 CFEDHN CC(C)[C@H]1CN([C@H](C#N)c2ccccc2)CCN1C ZINC000595461803 349634689 /nfs/dbraw/zinc/63/46/89/349634689.db2.gz NXIOLTPSCOUSIB-HZPDHXFCSA-N 0 3 257.381 2.523 20 30 CFEDHN Cc1ccncc1CN(C)CCc1ccc(C#N)cc1 ZINC000595464299 349634915 /nfs/dbraw/zinc/63/49/15/349634915.db2.gz ILPSWBHDTYFSCY-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN Cc1ccc(CN(C)CCc2ccc(C#N)cc2)nc1 ZINC000595509843 349646834 /nfs/dbraw/zinc/64/68/34/349646834.db2.gz XCAXHQRNSRUXHX-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN CC[C@H]1CN(CCc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000595558192 349659006 /nfs/dbraw/zinc/65/90/06/349659006.db2.gz MYVONJGTEIVSDK-IRXDYDNUSA-N 0 3 272.392 2.990 20 30 CFEDHN CC[C@@H]1CN(CCc2ccc(C#N)cc2)C[C@@H](CC)O1 ZINC000595548935 349657317 /nfs/dbraw/zinc/65/73/17/349657317.db2.gz 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349730852 /nfs/dbraw/zinc/73/08/52/349730852.db2.gz FKMWHBLBTAPLTP-UHFFFAOYSA-N 0 3 283.375 2.975 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781025 349731814 /nfs/dbraw/zinc/73/18/14/349731814.db2.gz PHNVYXSEWLWFFH-KGLIPLIRSA-N 0 3 258.365 2.866 20 30 CFEDHN N#Cc1ccc(OCCN2CCC(c3ccon3)CC2)cc1 ZINC000595837118 349749342 /nfs/dbraw/zinc/74/93/42/349749342.db2.gz OPPQHYCFCVWMIR-UHFFFAOYSA-N 0 3 297.358 2.805 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](CCCC)C(=O)OC ZINC000595844214 349752798 /nfs/dbraw/zinc/75/27/98/349752798.db2.gz CFEAOVKUDOJPIP-MJBXVCDLSA-N 0 3 251.370 2.901 20 30 CFEDHN N#CC1(CNC(=O)c2cccc3c2CCNC3)CCCCC1 ZINC000595971579 349773165 /nfs/dbraw/zinc/77/31/65/349773165.db2.gz GFBSIPBYMJLAMF-UHFFFAOYSA-N 0 3 297.402 2.536 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000596002132 349775780 /nfs/dbraw/zinc/77/57/80/349775780.db2.gz RPTILTZHMUIHCY-HQVVEAJESA-N 0 3 297.402 2.545 20 30 CFEDHN N#Cc1c(C(F)F)cccc1N1C[C@H]2CCC[C@@H](C1)N2 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CCN1CC[C@@H](N(C)c2nc(C#N)c(Cl)s2)[C@H](C)C1 ZINC000596135844 349803889 /nfs/dbraw/zinc/80/38/89/349803889.db2.gz BVFYJVSRPCUBPF-MWLCHTKSSA-N 0 3 298.843 2.835 20 30 CFEDHN C[C@H]1C[C@H](Nc2nc3ncccc3cc2C#N)CN1C1CC1 ZINC000596156683 349811919 /nfs/dbraw/zinc/81/19/19/349811919.db2.gz RGTRMQXDGZIPBE-FZMZJTMJSA-N 0 3 293.374 2.539 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000072839931 346943270 /nfs/dbraw/zinc/94/32/70/346943270.db2.gz GIDCBDCFLTUDQQ-CQSZACIVSA-N 0 3 290.407 2.976 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000295016193 199300414 /nfs/dbraw/zinc/30/04/14/199300414.db2.gz MPPACUSTFKYKKZ-MRXNPFEDSA-N 0 3 257.377 2.915 20 30 CFEDHN C=CCc1cc(CNC[C@@H](OC)C(C)C)cc(OC)c1O ZINC000072924531 346948857 /nfs/dbraw/zinc/94/88/57/346948857.db2.gz AFTRKFUHXAXYEJ-MRXNPFEDSA-N 0 3 293.407 2.890 20 30 CFEDHN C[C@H]1CN(c2nc(C#N)c(Cl)s2)CCN(C2CC2)C1 ZINC000596255031 349841756 /nfs/dbraw/zinc/84/17/56/349841756.db2.gz IROHCUXBJQLNJJ-SECBINFHSA-N 0 3 296.827 2.589 20 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C=C(C)COc1cccc(N[C@H]2CCN(CCOC)C2)c1 ZINC000273218066 192077773 /nfs/dbraw/zinc/07/77/73/192077773.db2.gz UXIVOIPZPHDZPP-INIZCTEOSA-N 0 3 290.407 2.774 20 30 CFEDHN C[C@@H]1CN(CCCOc2cccc(C#N)c2)CCS1 ZINC000127294774 187294435 /nfs/dbraw/zinc/29/44/35/187294435.db2.gz NDURQNILQNENCK-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000295122801 199357156 /nfs/dbraw/zinc/35/71/56/199357156.db2.gz WZBHUWPJPXTSMV-CQSZACIVSA-N 0 3 274.408 2.835 20 30 CFEDHN C=CCOc1cccc(CN2CC(CCOC)C2)c1 ZINC000668473885 539517541 /nfs/dbraw/zinc/51/75/41/539517541.db2.gz FDXPADRHPWMBOQ-UHFFFAOYSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000668493213 539534758 /nfs/dbraw/zinc/53/47/58/539534758.db2.gz KXGQMXUKNGLPBD-CYBMUJFWSA-N 0 3 275.396 2.505 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 ZINC000668493963 539535272 /nfs/dbraw/zinc/53/52/72/539535272.db2.gz SSGNVRRWJWEYDI-LLVKDONJSA-N 0 3 264.394 2.635 20 30 CFEDHN CC[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000029623204 346283061 /nfs/dbraw/zinc/28/30/61/346283061.db2.gz RVNQBSQZPFMDHA-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)(C#N)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000042127839 346360992 /nfs/dbraw/zinc/36/09/92/346360992.db2.gz NESMPNOZOMFASQ-UHFFFAOYSA-N 0 3 299.418 2.838 20 30 CFEDHN C[C@H]1CCCN(CCNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000047405034 346450082 /nfs/dbraw/zinc/45/00/82/346450082.db2.gz GOJDYALIYMSMFX-LBPRGKRZSA-N 0 3 288.351 2.610 20 30 CFEDHN C[C@@](C#N)(NC(=O)CN(C1CC1)C1CCCCC1)C1CC1 ZINC000047904017 346459729 /nfs/dbraw/zinc/45/97/29/346459729.db2.gz SIEXOVJRTVFDFT-KRWDZBQOSA-N 0 3 289.423 2.592 20 30 CFEDHN C[C@@H](CNC(=O)c1cccc(CC#N)c1)N1CCCC[C@@H]1C ZINC000049749449 346485934 /nfs/dbraw/zinc/48/59/34/346485934.db2.gz DQXPRFAXRBYFQA-GJZGRUSLSA-N 0 3 299.418 2.745 20 30 CFEDHN CC(C)N1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000051405686 346502968 /nfs/dbraw/zinc/50/29/68/346502968.db2.gz DGAVJVPICKXGBG-UHFFFAOYSA-N 0 3 284.816 2.953 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000596675538 349972968 /nfs/dbraw/zinc/97/29/68/349972968.db2.gz WAIPBCJNISSQPR-OLZOCXBDSA-N 0 3 291.420 2.551 20 30 CFEDHN CC(C)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000053064934 346537404 /nfs/dbraw/zinc/53/74/04/346537404.db2.gz WUEPKMDZJHUVEJ-UHFFFAOYSA-N 0 3 271.408 2.722 20 30 CFEDHN C=C(C)CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000055504448 346591094 /nfs/dbraw/zinc/59/10/94/346591094.db2.gz JUDQNHOEEDCYNJ-UHFFFAOYSA-N 0 3 262.372 2.910 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)CN(C)CCC ZINC000063761671 346710233 /nfs/dbraw/zinc/71/02/33/346710233.db2.gz BSHZCFOGCBTXDI-UHFFFAOYSA-N 0 3 266.410 2.605 20 30 CFEDHN C=CCN(CCCN1CCCC1=O)Cc1cccs1 ZINC000064138591 346715786 /nfs/dbraw/zinc/71/57/86/346715786.db2.gz HTSICHARDSJHPZ-UHFFFAOYSA-N 0 3 278.421 2.749 20 30 CFEDHN CCN(CC(=O)NC1(C#N)CCCCC1)[C@H](C)C(C)C ZINC000065298951 346732932 /nfs/dbraw/zinc/73/29/32/346732932.db2.gz PIQGOKRBOLYONK-CQSZACIVSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCN1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1 ZINC000075925965 347109884 /nfs/dbraw/zinc/10/98/84/347109884.db2.gz ZNHOFDXIFNTXTI-GFCCVEGCSA-N 0 3 292.345 2.685 20 30 CFEDHN C[C@H](CNC(=O)c1cccc(CC#N)c1)N1CCC(C)CC1 ZINC000067270224 346796129 /nfs/dbraw/zinc/79/61/29/346796129.db2.gz YJDOORXNPDTNHA-OAHLLOKOSA-N 0 3 299.418 2.603 20 30 CFEDHN C=CCCCN(C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000076734721 347149616 /nfs/dbraw/zinc/14/96/16/347149616.db2.gz DQFBDGFPBBBHBX-ZIAGYGMSSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCCN(C)C[C@H](O)c1ccc(F)cc1F ZINC000076734281 347150392 /nfs/dbraw/zinc/15/03/92/347150392.db2.gz XFIIMNPXJWKQKG-AWEZNQCLSA-N 0 3 255.308 2.896 20 30 CFEDHN N#Cc1ccc(CN2CCC3(C2)CCOCC3)c(F)c1 ZINC000076157266 347126713 /nfs/dbraw/zinc/12/67/13/347126713.db2.gz FEVHGHBQIYXEBC-UHFFFAOYSA-N 0 3 274.339 2.700 20 30 CFEDHN N#Cc1nnc2ccccc2c1NCCN1CCCCCC1 ZINC000076324234 347133780 /nfs/dbraw/zinc/13/37/80/347133780.db2.gz UUYJCVTUAZDRSH-UHFFFAOYSA-N 0 3 295.390 2.789 20 30 CFEDHN COCC#CCN1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000677133255 539555189 /nfs/dbraw/zinc/55/51/89/539555189.db2.gz PBNTXFAMJSMQBV-UKRRQHHQSA-N 0 3 261.340 2.653 20 30 CFEDHN C=C(Cl)CNC(=O)NCCCN(C)Cc1ccccc1 ZINC000077790317 347215285 /nfs/dbraw/zinc/21/52/85/347215285.db2.gz OTZXCVAMGJJUPA-UHFFFAOYSA-N 0 3 295.814 2.560 20 30 CFEDHN COC[C@H](Cc1ccccc1)NCc1ccc(C#N)cc1 ZINC000080244152 347351062 /nfs/dbraw/zinc/35/10/62/347351062.db2.gz VECOQXUSGSJQHS-SFHVURJKSA-N 0 3 280.371 2.906 20 30 CFEDHN CCN(CCNc1snc(Cl)c1C#N)C1CC1 ZINC000080977222 347392434 /nfs/dbraw/zinc/39/24/34/347392434.db2.gz AYNIVDNZCRTSCR-UHFFFAOYSA-N 0 3 270.789 2.564 20 30 CFEDHN O=C(C#Cc1ccccc1)N1CCC[C@H]1CN1CCCCC1 ZINC000081657046 347432145 /nfs/dbraw/zinc/43/21/45/347432145.db2.gz JVCOOGKGWSJYEC-SFHVURJKSA-N 0 3 296.414 2.515 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000357843761 539563082 /nfs/dbraw/zinc/56/30/82/539563082.db2.gz XTKMRRMMYUCOCA-RKDXNWHRSA-N 0 3 268.263 2.625 20 30 CFEDHN C=CCCC[C@H](C)N1CCCN(C(=O)C(C)C)CC1 ZINC000091510667 347591021 /nfs/dbraw/zinc/59/10/21/347591021.db2.gz FWPDQJITPNFWKE-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCC[C@H](C)N1CCOC2(CCOCC2)C1 ZINC000091594623 347593528 /nfs/dbraw/zinc/59/35/28/347593528.db2.gz QHSZCHWZZIPWJG-AWEZNQCLSA-N 0 3 253.386 2.613 20 30 CFEDHN N#Cc1c(Cl)nsc1N[C@@H]1CCN2CCCC[C@@H]12 ZINC000092609695 347634551 /nfs/dbraw/zinc/63/45/51/347634551.db2.gz NBYZZHWBOSNLMN-ZJUUUORDSA-N 0 3 282.800 2.707 20 30 CFEDHN CN(C[C@H]1CCCN(C)C1)c1ccc2cc(C#N)ccc2n1 ZINC000092898217 347650656 /nfs/dbraw/zinc/65/06/56/347650656.db2.gz SHZCWQUSVWOEJV-HNNXBMFYSA-N 0 3 294.402 2.884 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1cnccc1C#N ZINC000094158783 347693688 /nfs/dbraw/zinc/69/36/88/347693688.db2.gz RDFLVLZWGAYQGM-AWEZNQCLSA-N 0 3 258.369 2.630 20 30 CFEDHN N#Cc1csc(CN(CCO)CCc2ccccc2)c1 ZINC000093389849 347672868 /nfs/dbraw/zinc/67/28/68/347672868.db2.gz USEALRYTAJRZIT-UHFFFAOYSA-N 0 3 286.400 2.657 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2c(C)oc(C)c2C)CC1 ZINC000106038251 347730772 /nfs/dbraw/zinc/73/07/72/347730772.db2.gz GHTCZVGWMQOZFF-UHFFFAOYSA-N 0 3 290.407 2.975 20 30 CFEDHN N#Cc1csc(CNCC2(CO)CCCCC2)c1 ZINC000122873844 347816975 /nfs/dbraw/zinc/81/69/75/347816975.db2.gz KDWARSJSEBMBCH-UHFFFAOYSA-N 0 3 264.394 2.652 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCCC[C@H]1CC(C)C ZINC000123653628 347820582 /nfs/dbraw/zinc/82/05/82/347820582.db2.gz ZMSSUQKBMVKDJU-HNNXBMFYSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCN1C ZINC000139401040 347920073 /nfs/dbraw/zinc/92/00/73/347920073.db2.gz HYUMDTFLWKEDDD-ZDUSSCGKSA-N 0 3 293.436 2.540 20 30 CFEDHN CC(C)[C@@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000140442804 347925958 /nfs/dbraw/zinc/92/59/58/347925958.db2.gz DEEGHBZLGHDFFT-HNNXBMFYSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N[C@H](C)C(C)C ZINC000150887492 347957269 /nfs/dbraw/zinc/95/72/69/347957269.db2.gz UYODGVBRLVZNPI-CQSZACIVSA-N 0 3 254.418 2.825 20 30 CFEDHN C[C@@H](CNC(=O)C1(C#N)CCCCC1)N1CCC[C@@H](C)C1 ZINC000148513013 347950333 /nfs/dbraw/zinc/95/03/33/347950333.db2.gz NVXMHHJZANSNNH-CABCVRRESA-N 0 3 291.439 2.697 20 30 CFEDHN CC#CCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000155634255 347987813 /nfs/dbraw/zinc/98/78/13/347987813.db2.gz YMPVMOLZJSAHGW-KRWDZBQOSA-N 0 3 275.367 2.985 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)CCN1C ZINC000157953674 348004541 /nfs/dbraw/zinc/00/45/41/348004541.db2.gz DZPXMPGNVDZFQM-DOMZBBRYSA-N 0 3 284.407 2.727 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000171442203 348077187 /nfs/dbraw/zinc/07/71/87/348077187.db2.gz FGZCQDOJYRRAOU-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCN(C2CCCC2)CC1 ZINC000165473201 348039845 /nfs/dbraw/zinc/03/98/45/348039845.db2.gz NWTVIPUOVUORLY-UHFFFAOYSA-N 0 3 283.419 2.927 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000165461050 348039890 /nfs/dbraw/zinc/03/98/90/348039890.db2.gz SXHPHNANNIBCMF-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN Fc1ccc(C#CCN2CCN(C3CCCC3)CC2)cc1 ZINC000156051780 282974302 /nfs/dbraw/zinc/97/43/02/282974302.db2.gz XWDOUIOEPTXGHG-UHFFFAOYSA-N 0 3 286.394 2.737 20 30 CFEDHN COc1ccc2c(c1)OC[C@H](N[C@H]1CCC[C@H](C#N)C1)C2 ZINC000274228510 348334764 /nfs/dbraw/zinc/33/47/64/348334764.db2.gz RZFJVIJVJHKZFB-AEGPPILISA-N 0 3 286.375 2.671 20 30 CFEDHN N#CC(C(=O)c1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000302221716 348373302 /nfs/dbraw/zinc/37/33/02/348373302.db2.gz KGSMFIYKAOZTDP-CYBMUJFWSA-N 0 3 298.321 2.634 20 30 CFEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1F)c1ccccc1 ZINC000413022678 233004927 /nfs/dbraw/zinc/00/49/27/233004927.db2.gz FNOLENGGPLRPPF-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN Cc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)cc(C#N)n1 ZINC000308276260 348403567 /nfs/dbraw/zinc/40/35/67/348403567.db2.gz HSCKFCBBUPQTPH-MRXNPFEDSA-N 0 3 292.386 2.948 20 30 CFEDHN CCN1CCCC[C@H]1CNc1nccc(C)c1C#N ZINC000273374524 192131067 /nfs/dbraw/zinc/13/10/67/192131067.db2.gz SDNNKJNHCMVHKI-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@@H](C)CC#N)c1ccsc1 ZINC000596793372 349990207 /nfs/dbraw/zinc/99/02/07/349990207.db2.gz HIMLNINHDCGAKQ-GXTWGEPZSA-N 0 3 293.436 2.797 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@H](C)CC#N)c1ccsc1 ZINC000596793376 349990500 /nfs/dbraw/zinc/99/05/00/349990500.db2.gz HIMLNINHDCGAKQ-TZMCWYRMSA-N 0 3 293.436 2.797 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H](c2ccncn2)C1 ZINC000363472954 348508639 /nfs/dbraw/zinc/50/86/39/348508639.db2.gz WNPQQQCGTUQAOQ-ZDUSSCGKSA-N 0 3 258.369 2.596 20 30 CFEDHN C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)cnc2C#N)CCN1C ZINC000413156715 233025994 /nfs/dbraw/zinc/02/59/94/233025994.db2.gz GAGHZKRRVCMQED-ONGXEEELSA-N 0 3 298.312 2.867 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C)[C@@H]1CCCOC1 ZINC000402689172 348582774 /nfs/dbraw/zinc/58/27/74/348582774.db2.gz AVOSMRYBFLNSJV-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404358307 348591537 /nfs/dbraw/zinc/59/15/37/348591537.db2.gz MQSZGDBZLLFBAX-UGUYLWEFSA-N 0 3 299.418 2.656 20 30 CFEDHN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1CCC#N ZINC000404450117 348592003 /nfs/dbraw/zinc/59/20/03/348592003.db2.gz YJVSCBAUUWWQPF-XHSDSOJGSA-N 0 3 271.408 2.883 20 30 CFEDHN CO[C@@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000397615060 348562098 /nfs/dbraw/zinc/56/20/98/348562098.db2.gz OYDKOCCVHKXHGU-ZBFHGGJFSA-N 0 3 258.365 3.000 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@H](O)CC2CCCC2)C1 ZINC000397659245 348562987 /nfs/dbraw/zinc/56/29/87/348562987.db2.gz NLJZRNPBXDTICL-LSDHHAIUSA-N 0 3 250.386 2.553 20 30 CFEDHN C=CCC(C)(C)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000450296661 348620597 /nfs/dbraw/zinc/62/05/97/348620597.db2.gz FFDGGBYKFVPTID-UHFFFAOYSA-N 0 3 291.395 2.563 20 30 CFEDHN Cc1ccn2c(CNCC(C)(C)CC#N)cnc2c1 ZINC000459734635 348625225 /nfs/dbraw/zinc/62/52/25/348625225.db2.gz SIPLHDMBHRAZSC-UHFFFAOYSA-N 0 3 256.353 2.672 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1CNCC(C)(C)CC#N ZINC000459734735 348625247 /nfs/dbraw/zinc/62/52/47/348625247.db2.gz SSUFAIMBKNAMFT-UHFFFAOYSA-N 0 3 261.325 2.933 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000491429921 348628057 /nfs/dbraw/zinc/62/80/57/348628057.db2.gz WLPAFZDQCDPTNJ-WMLDXEAASA-N 0 3 284.403 2.524 20 30 CFEDHN C#CCN1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000491784890 348630638 /nfs/dbraw/zinc/63/06/38/348630638.db2.gz RIMNJOUKERITPG-CQSZACIVSA-N 0 3 292.423 2.731 20 30 CFEDHN C=CCCCCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000584701224 348706314 /nfs/dbraw/zinc/70/63/14/348706314.db2.gz WHVXLRCZCCNJEE-OAHLLOKOSA-N 0 3 276.380 2.717 20 30 CFEDHN CN(C)[C@@H](CNC(=O)CCCCCC#N)c1ccccc1 ZINC000588147360 348772548 /nfs/dbraw/zinc/77/25/48/348772548.db2.gz WYHRTZWCFMITCA-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091591182 539663543 /nfs/dbraw/zinc/66/35/43/539663543.db2.gz KIAHMGONNIZADM-KKUMJFAQSA-N 0 3 253.386 2.611 20 30 CFEDHN Cc1ccc(C#N)nc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000589103359 348810887 /nfs/dbraw/zinc/81/08/87/348810887.db2.gz IVSKFXYIOSLCHP-KRWDZBQOSA-N 0 3 292.386 2.948 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@@H](O)C1CC1 ZINC000589198183 348819205 /nfs/dbraw/zinc/81/92/05/348819205.db2.gz PSANQOBFXPXYCU-QGZVFWFLSA-N 0 3 288.391 2.572 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)[C@@H]1CCOC(C)(C)C1 ZINC000589274713 348824123 /nfs/dbraw/zinc/82/41/23/348824123.db2.gz BCLBEBINTCQXNS-OAHLLOKOSA-N 0 3 273.380 2.733 20 30 CFEDHN COCC[C@@H](COC)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000589350338 348829325 /nfs/dbraw/zinc/82/93/25/348829325.db2.gz KDNUJQVRHVJBAN-RDJZCZTQSA-N 0 3 288.391 2.577 20 30 CFEDHN N#Cc1ccc(CN(CCCO)C2CC2)c(C(F)(F)F)c1 ZINC000589499854 348836482 /nfs/dbraw/zinc/83/64/82/348836482.db2.gz HMXPESSUTZTLTR-UHFFFAOYSA-N 0 3 298.308 2.924 20 30 CFEDHN CC/C=C\CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590005490 348869108 /nfs/dbraw/zinc/86/91/08/348869108.db2.gz MKEAKGPZRQWKQW-ABCZVMIZSA-N 0 3 271.364 2.763 20 30 CFEDHN Cc1nccc([C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000590154589 348879793 /nfs/dbraw/zinc/87/97/93/348879793.db2.gz KQGQPLCHABQURQ-RRFJBIMHSA-N 0 3 270.380 2.657 20 30 CFEDHN CC[C@@H]1c2ccccc2CCN1CCOCCC#N ZINC000590161679 348880985 /nfs/dbraw/zinc/88/09/85/348880985.db2.gz JVCVCLMQJNLCSZ-MRXNPFEDSA-N 0 3 258.365 2.926 20 30 CFEDHN COC[C@H]1CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590184921 348883588 /nfs/dbraw/zinc/88/35/88/348883588.db2.gz FWUDXTVYXOIFKK-OAHLLOKOSA-N 0 3 258.365 2.708 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000590757356 348943736 /nfs/dbraw/zinc/94/37/36/348943736.db2.gz RIPIDMIXYVQOEJ-XJKSGUPXSA-N 0 3 258.365 2.724 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)cc1C ZINC000590759595 348944617 /nfs/dbraw/zinc/94/46/17/348944617.db2.gz PMDLNZGMBPXYMJ-KRWDZBQOSA-N 0 3 271.408 2.783 20 30 CFEDHN CCCN(CCN1CCCCCC1)C(=O)CC1(C#N)CC1 ZINC000590395590 348898007 /nfs/dbraw/zinc/89/80/07/348898007.db2.gz KHTUNUPFALOZKS-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN CC(C#N)C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590423476 348899882 /nfs/dbraw/zinc/89/98/82/348899882.db2.gz QCLSSBYMWUZPJT-SNVBAGLBSA-N 0 3 296.292 2.866 20 30 CFEDHN CC(C#N)C(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590423475 348900004 /nfs/dbraw/zinc/90/00/04/348900004.db2.gz QCLSSBYMWUZPJT-JTQLQIEISA-N 0 3 296.292 2.866 20 30 CFEDHN Cn1nc(CN[C@H]2CC[C@@H](CC#N)C2)c2ccccc21 ZINC000590656425 348921964 /nfs/dbraw/zinc/92/19/64/348921964.db2.gz FTKSYBITVRTPGC-STQMWFEESA-N 0 3 268.364 2.745 20 30 CFEDHN N#CC1(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)CC1 ZINC000590979865 348975694 /nfs/dbraw/zinc/97/56/94/348975694.db2.gz QTVWFKGTLYNCNH-OAHLLOKOSA-N 0 3 295.386 2.691 20 30 CFEDHN C[C@H](CCC#N)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000591016782 348978096 /nfs/dbraw/zinc/97/80/96/348978096.db2.gz APHXQEUVYOMFET-CYBMUJFWSA-N 0 3 285.391 2.703 20 30 CFEDHN Cc1nccc([C@H]2CCCN([C@@H](C)CCC#N)C2)n1 ZINC000591011532 348978125 /nfs/dbraw/zinc/97/81/25/348978125.db2.gz CJEHINZKIUZLTM-JSGCOSHPSA-N 0 3 258.369 2.657 20 30 CFEDHN N#CC1(CCN(CCCO)C2CC2)CCCCC1 ZINC000591014548 348978256 /nfs/dbraw/zinc/97/82/56/348978256.db2.gz LNYWLAVDAGSLOK-UHFFFAOYSA-N 0 3 250.386 2.697 20 30 CFEDHN CCCCNC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000591022923 348979385 /nfs/dbraw/zinc/97/93/85/348979385.db2.gz ALZSQOWODUYKKW-ZDUSSCGKSA-N 0 3 273.380 2.515 20 30 CFEDHN COc1ccc(C[C@H](C)NCc2ccc(C#N)cc2F)cn1 ZINC000591238988 349002063 /nfs/dbraw/zinc/00/20/63/349002063.db2.gz DIEUKJYZPMEAGX-LBPRGKRZSA-N 0 3 299.349 2.822 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)CC2(C#N)CC2)c(F)c1 ZINC000591094271 348987491 /nfs/dbraw/zinc/98/74/91/348987491.db2.gz WFIDEYLEOGCSIV-UHFFFAOYSA-N 0 3 275.327 2.520 20 30 CFEDHN Cc1cc(NC(=O)CC2(C#N)CC2)ccc1CN(C)C ZINC000590922086 348967140 /nfs/dbraw/zinc/96/71/40/348967140.db2.gz AVJIXOWARCUXIU-UHFFFAOYSA-N 0 3 271.364 2.689 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCCC2)cc1Cl ZINC000591765709 349042999 /nfs/dbraw/zinc/04/29/99/349042999.db2.gz BSLTTYISKRCMLE-UHFFFAOYSA-N 0 3 264.756 2.606 20 30 CFEDHN N#Cc1cc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)ccn1 ZINC000591856313 349051045 /nfs/dbraw/zinc/05/10/45/349051045.db2.gz GMNSJZAKAWKEFV-KRWDZBQOSA-N 0 3 297.402 2.734 20 30 CFEDHN CC1(C)C[C@H](N[C@H]2CCc3cc(C#N)ccc32)CO1 ZINC000591356895 349011554 /nfs/dbraw/zinc/01/15/54/349011554.db2.gz IPDLECOJVJLWQN-ZFWWWQNUSA-N 0 3 256.349 2.703 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccncc2C#N)[C@H](C)[C@H]1OC ZINC000592114152 349085199 /nfs/dbraw/zinc/08/51/99/349085199.db2.gz VNENGQOEYWWKOL-APHBMKBZSA-N 0 3 287.407 2.883 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](OC(C)C)C1 ZINC000592133046 349089295 /nfs/dbraw/zinc/08/92/95/349089295.db2.gz MNLISDJRHIKDCV-MRXNPFEDSA-N 0 3 258.365 2.866 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2cccc3ccccc32)C1 ZINC000592148396 349091065 /nfs/dbraw/zinc/09/10/65/349091065.db2.gz UWDGABOGAXBXLI-KRWDZBQOSA-N 0 3 266.344 2.690 20 30 CFEDHN C[C@@H]1CCC[C@H](CCN2CC[C@](O)(CC#N)C2)C1 ZINC000592151382 349091688 /nfs/dbraw/zinc/09/16/88/349091688.db2.gz NXUZSMBNFXEILY-RBSFLKMASA-N 0 3 250.386 2.553 20 30 CFEDHN CC(C)O[C@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592153689 349092458 /nfs/dbraw/zinc/09/24/58/349092458.db2.gz NTJCJQHXCJSOIC-SJORKVTESA-N 0 3 288.391 2.503 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC[C@H]1C1CCC1 ZINC000592198704 349097656 /nfs/dbraw/zinc/09/76/56/349097656.db2.gz QDYJWTAGFIUMHB-DOTOQJQBSA-N 0 3 291.439 2.695 20 30 CFEDHN CC[C@H](C)C[C@@H](CO)NCc1ccc(C#N)s1 ZINC000592374439 349111431 /nfs/dbraw/zinc/11/14/31/349111431.db2.gz GVHJLYZIVNGHDG-QWRGUYRKSA-N 0 3 252.383 2.506 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CCO)c2ccccc2F)C1 ZINC000592403547 349116975 /nfs/dbraw/zinc/11/69/75/349116975.db2.gz OKHPYMZPTJFKAN-IOASZLSFSA-N 0 3 276.355 2.921 20 30 CFEDHN CC(C)[C@@H]1[C@@H](C(C)C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000592515194 349130487 /nfs/dbraw/zinc/13/04/87/349130487.db2.gz SZTWMBDIEQQIKU-HZPDHXFCSA-N 0 3 297.406 2.713 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)[C@@H]1C(C)C ZINC000592515196 349130845 /nfs/dbraw/zinc/13/08/45/349130845.db2.gz SZTWMBDIEQQIKU-JKSUJKDBSA-N 0 3 297.406 2.713 20 30 CFEDHN CC(C)c1ccc(CCN2CC[C@](O)(CC#N)C2)cc1 ZINC000592522252 349132966 /nfs/dbraw/zinc/13/29/66/349132966.db2.gz JXHGGPCQXAZVAF-QGZVFWFLSA-N 0 3 272.392 2.703 20 30 CFEDHN CCc1oc2ccccc2c1CN1CC[C@@](O)(CC#N)C1 ZINC000592524052 349134042 /nfs/dbraw/zinc/13/40/42/349134042.db2.gz UEPJNYAJVZUCMV-KRWDZBQOSA-N 0 3 284.359 2.846 20 30 CFEDHN CN1CC=C(CNc2c(F)cc(C#N)cc2F)CC1 ZINC000273978348 192386971 /nfs/dbraw/zinc/38/69/71/192386971.db2.gz QFVDEHAVPHFXNZ-UHFFFAOYSA-N 0 3 263.291 2.510 20 30 CFEDHN C[C@@H]1SCC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000592904848 349176626 /nfs/dbraw/zinc/17/66/26/349176626.db2.gz SZTRQXGDCBTXLO-CFVMTHIKSA-N 0 3 288.416 2.769 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC12CCCC2 ZINC000593038836 349192064 /nfs/dbraw/zinc/19/20/64/349192064.db2.gz LSKZTWXOMYVLAB-UHFFFAOYSA-N 0 3 286.375 2.964 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000593015292 349187201 /nfs/dbraw/zinc/18/72/01/349187201.db2.gz QLCZALSOIDNYHN-STQMWFEESA-N 0 3 271.320 2.698 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000593016845 349188054 /nfs/dbraw/zinc/18/80/54/349188054.db2.gz XCTDMBSZUCIICL-MNOVXSKESA-N 0 3 259.309 2.697 20 30 CFEDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1CCOCCC#N ZINC000593095495 349208014 /nfs/dbraw/zinc/20/80/14/349208014.db2.gz NKOUOELRPXNGMI-CQSZACIVSA-N 0 3 296.411 2.503 20 30 CFEDHN C[C@@H]1C[C@H]1c1noc(CC2CCN(CCCC#N)CC2)n1 ZINC000593075588 349202112 /nfs/dbraw/zinc/20/21/12/349202112.db2.gz CXMJKIUDOHZQKZ-TZMCWYRMSA-N 0 3 288.395 2.751 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000593090318 349205299 /nfs/dbraw/zinc/20/52/99/349205299.db2.gz QPIYODJKYQBTMU-BSWAZPDLSA-N 0 3 298.386 2.567 20 30 CFEDHN CN(CCN1CCCCC1)c1ccc(C#N)cc1F ZINC000593517919 349288783 /nfs/dbraw/zinc/28/87/83/349288783.db2.gz UVRKQLRBFJSDHV-UHFFFAOYSA-N 0 3 261.344 2.619 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N2CCC[C@@H]2C(=O)OCC)C1 ZINC000593617025 349299833 /nfs/dbraw/zinc/29/98/33/349299833.db2.gz JRDSJJDBMIPTKL-MGPQQGTHSA-N 0 3 251.370 2.759 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000593497438 349284990 /nfs/dbraw/zinc/28/49/90/349284990.db2.gz DATPTJUCXFJCBX-VNQPRFMTSA-N 0 3 281.359 2.835 20 30 CFEDHN CSc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1C ZINC000593918746 349335029 /nfs/dbraw/zinc/33/50/29/349335029.db2.gz HJGDCWCWZXVGSC-LBPRGKRZSA-N 0 3 277.393 2.677 20 30 CFEDHN Cn1ccnc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593943981 349337089 /nfs/dbraw/zinc/33/70/89/349337089.db2.gz HJOLKEHBGWFJDP-UHFFFAOYSA-N 0 3 254.337 2.833 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)nc1 ZINC000593969341 349342600 /nfs/dbraw/zinc/34/26/00/349342600.db2.gz DEYCQSSPDIKORZ-CABCVRRESA-N 0 3 285.391 2.592 20 30 CFEDHN C[C@H](CNC(=O)CCCCC#N)N(C)Cc1ccccc1 ZINC000593976468 349344357 /nfs/dbraw/zinc/34/43/57/349344357.db2.gz PVBLLOQRMJZELF-OAHLLOKOSA-N 0 3 287.407 2.707 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c(C(F)(F)F)c1 ZINC000593665627 349306620 /nfs/dbraw/zinc/30/66/20/349306620.db2.gz JXAKKUILFNJZRL-BNOWGMLFSA-N 0 3 296.292 2.987 20 30 CFEDHN C[C@@H](CCO)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000593695236 349311470 /nfs/dbraw/zinc/31/14/70/349311470.db2.gz YYDSJIALXYHOBA-JTQLQIEISA-N 0 3 286.297 2.780 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000593744833 349318665 /nfs/dbraw/zinc/31/86/65/349318665.db2.gz KRRJVYYIUVESAZ-JHJVBQTASA-N 0 3 294.395 2.505 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC23CCCC3)cc1 ZINC000593757167 349321269 /nfs/dbraw/zinc/32/12/69/349321269.db2.gz DKJZMAWNQPTUAK-INIZCTEOSA-N 0 3 293.370 2.786 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)CCCCC#N)cc1 ZINC000594225387 349395943 /nfs/dbraw/zinc/39/59/43/349395943.db2.gz SLSVREZPIRKDNO-UHFFFAOYSA-N 0 3 259.353 2.771 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)CN1CC[C@@H](C)C1 ZINC000594282867 349404413 /nfs/dbraw/zinc/40/44/13/349404413.db2.gz AOQQAEARNSASPA-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN Cc1cc(C)c2c(c1)N(C(=O)[C@H](N)CCCCC#N)CCC2 ZINC000594440421 349422584 /nfs/dbraw/zinc/42/25/84/349422584.db2.gz ZCTBNFAIOJKQCB-MRXNPFEDSA-N 0 3 299.418 2.994 20 30 CFEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594437309 349422907 /nfs/dbraw/zinc/42/29/07/349422907.db2.gz LFQVXLWQSWBNQN-GOEBONIOSA-N 0 3 287.407 2.660 20 30 CFEDHN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594438365 349422919 /nfs/dbraw/zinc/42/29/19/349422919.db2.gz UHNKFRYMJZFWIR-COXVUDFISA-N 0 3 299.418 2.837 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594440778 349423015 /nfs/dbraw/zinc/42/30/15/349423015.db2.gz ZJLGPMPDWFCCAK-LSDHHAIUSA-N 0 3 279.428 2.873 20 30 CFEDHN Cc1ccc([C@@H](C)CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594443419 349423366 /nfs/dbraw/zinc/42/33/66/349423366.db2.gz HFNUSQXCOLDQKH-HOCLYGCPSA-N 0 3 287.407 2.626 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(F)c1F ZINC000594443820 349423386 /nfs/dbraw/zinc/42/33/86/349423386.db2.gz VETZPQAWMRNCDE-MFKMUULPSA-N 0 3 295.333 2.553 20 30 CFEDHN Cc1cccc(C(C)(C)NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594444440 349423851 /nfs/dbraw/zinc/42/38/51/349423851.db2.gz MAHHGJXYMMXTQP-OAHLLOKOSA-N 0 3 287.407 2.758 20 30 CFEDHN CCCC[C@@H](NC(=O)[C@@H](N)CCCCC#N)C1CCC1 ZINC000594444438 349423963 /nfs/dbraw/zinc/42/39/63/349423963.db2.gz LYEAJIKCSLSTND-LSDHHAIUSA-N 0 3 279.428 2.873 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594445516 349424390 /nfs/dbraw/zinc/42/43/90/349424390.db2.gz GWHLFZBWGKCVDM-MGPQQGTHSA-N 0 3 279.428 2.729 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(C2CC2)cc1 ZINC000594447211 349424422 /nfs/dbraw/zinc/42/44/22/349424422.db2.gz VNXCZTNONAKSLX-INIZCTEOSA-N 0 3 285.391 2.591 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CC2(CCC2)c2ccccc21 ZINC000594457359 349426528 /nfs/dbraw/zinc/42/65/28/349426528.db2.gz YQVBTHBYLZFMBE-HNNXBMFYSA-N 0 3 297.402 2.866 20 30 CFEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1Cl ZINC000594458767 349427090 /nfs/dbraw/zinc/42/70/90/349427090.db2.gz WPDZGUSYAWTMPG-CYBMUJFWSA-N 0 3 279.771 2.998 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000668740248 539744260 /nfs/dbraw/zinc/74/42/60/539744260.db2.gz SCLMFFNMYNVWID-PBHICJAKSA-N 0 3 275.392 2.702 20 30 CFEDHN C[C@@H](CC#N)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000597114828 350031852 /nfs/dbraw/zinc/03/18/52/350031852.db2.gz LLJNQPGVOOTODU-RDJZCZTQSA-N 0 3 299.418 2.880 20 30 CFEDHN C=C(C)COCCNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597063239 350024008 /nfs/dbraw/zinc/02/40/08/350024008.db2.gz OJRJBUZPBIFCIL-UHFFFAOYSA-N 0 3 297.782 2.809 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000594424379 349416966 /nfs/dbraw/zinc/41/69/66/349416966.db2.gz CEQLRRCWPGKORS-GFCCVEGCSA-N 0 3 297.305 2.638 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000594428220 349418726 /nfs/dbraw/zinc/41/87/26/349418726.db2.gz LURMVVUFLGETJR-INIZCTEOSA-N 0 3 299.418 2.636 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000594430199 349419445 /nfs/dbraw/zinc/41/94/45/349419445.db2.gz WRQMTGQMMRACTD-CVEARBPZSA-N 0 3 285.391 2.761 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCCCCc1ccccc1 ZINC000594428970 349419834 /nfs/dbraw/zinc/41/98/34/349419834.db2.gz PQYSZPRFKGGNBE-MRXNPFEDSA-N 0 3 287.407 2.537 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCCc1cc2ccccc2o1 ZINC000594433651 349420922 /nfs/dbraw/zinc/42/09/22/349420922.db2.gz QCNNNJFCORWRKQ-HNNXBMFYSA-N 0 3 299.374 2.503 20 30 CFEDHN Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](N)CCCCC#N ZINC000594431180 349420959 /nfs/dbraw/zinc/42/09/59/349420959.db2.gz JJGLVFNUVVGUFT-CVEARBPZSA-N 0 3 285.391 2.510 20 30 CFEDHN C[C@@]1(c2ccccc2)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433808 349421581 /nfs/dbraw/zinc/42/15/81/349421581.db2.gz UBOAJENJVYGKSH-FUHWJXTLSA-N 0 3 299.418 2.588 20 30 CFEDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597291125 350079589 /nfs/dbraw/zinc/07/95/89/350079589.db2.gz BMFHOKXWEBFJQR-LSDHHAIUSA-N 0 3 291.439 2.649 20 30 CFEDHN N#CC1(c2ccc(CN3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000597133604 350036157 /nfs/dbraw/zinc/03/61/57/350036157.db2.gz WSVGCMUPTOTWEF-QGZVFWFLSA-N 0 3 292.386 2.885 20 30 CFEDHN Cn1cnc2cc(CN3CCC[C@@H](CC#N)C3)ccc21 ZINC000597177865 350045666 /nfs/dbraw/zinc/04/56/66/350045666.db2.gz RJTYPYSETZSSKP-ZDUSSCGKSA-N 0 3 268.364 2.699 20 30 CFEDHN COC(=O)c1oc(CNCCc2ccc(C#N)cc2)cc1C ZINC000597179924 350046241 /nfs/dbraw/zinc/04/62/41/350046241.db2.gz XVPHHARTSKBEPQ-UHFFFAOYSA-N 0 3 298.342 2.579 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000597186088 350047906 /nfs/dbraw/zinc/04/79/06/350047906.db2.gz BHMCZKKPGDDSPR-GFCCVEGCSA-N 0 3 262.353 2.589 20 30 CFEDHN C[C@H](CC#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000597229782 350063824 /nfs/dbraw/zinc/06/38/24/350063824.db2.gz BELFLKKAVHUGLY-OAHLLOKOSA-N 0 3 299.418 2.659 20 30 CFEDHN CC(C)N1CCC[C@@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000597520211 350108177 /nfs/dbraw/zinc/10/81/77/350108177.db2.gz ISTVATFVZKCTCX-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H](CC#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000597334003 350084952 /nfs/dbraw/zinc/08/49/52/350084952.db2.gz QMKOBYLISHKZSL-HZPDHXFCSA-N 0 3 299.418 2.659 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H](C)CC#N)c1 ZINC000597447431 350098708 /nfs/dbraw/zinc/09/87/08/350098708.db2.gz UTJRNGAPMCUEFU-LBPRGKRZSA-N 0 3 259.353 2.545 20 30 CFEDHN CCN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CCN(C)C1 ZINC000597946938 350160741 /nfs/dbraw/zinc/16/07/41/350160741.db2.gz SSPROGUYFXRQFN-SJORKVTESA-N 0 3 299.418 2.627 20 30 CFEDHN C[C@H]1C[C@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000271271326 191040914 /nfs/dbraw/zinc/04/09/14/191040914.db2.gz CMVXXTGEFIUIII-WCQYABFASA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000598039505 350182148 /nfs/dbraw/zinc/18/21/48/350182148.db2.gz LADDNUIGVRKMFU-YPMHNXCESA-N 0 3 258.321 2.883 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccoc1 ZINC000598204244 350213214 /nfs/dbraw/zinc/21/32/14/350213214.db2.gz KMPKGOHDHQYIHE-MRXNPFEDSA-N 0 3 282.343 2.711 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1F)CC1CC1 ZINC000598252828 350224944 /nfs/dbraw/zinc/22/49/44/350224944.db2.gz XWLWDEPAGKGLBY-NSHDSACASA-N 0 3 260.312 2.724 20 30 CFEDHN CCN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)[C@H](C)C#N ZINC000598356167 350245856 /nfs/dbraw/zinc/24/58/56/350245856.db2.gz LPGPUKBQWFHBGR-NVXWUHKLSA-N 0 3 299.418 2.659 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H]1c1ccc(Br)cc1 ZINC000598426136 350267616 /nfs/dbraw/zinc/26/76/16/350267616.db2.gz YCSUFLWHKLKJKB-JOYOIKCWSA-N 0 3 293.164 2.882 20 30 CFEDHN CN(Cc1ccc(F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598583890 350285251 /nfs/dbraw/zinc/28/52/51/350285251.db2.gz GORYJSRHZJRRKV-AWEZNQCLSA-N 0 3 264.344 2.558 20 30 CFEDHN CC[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H](C)N1 ZINC000598531564 350279842 /nfs/dbraw/zinc/27/98/42/350279842.db2.gz KTHPXVRHLZCNOI-USXIJHARSA-N 0 3 299.418 2.673 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598623320 350296247 /nfs/dbraw/zinc/29/62/47/350296247.db2.gz WICPCKZGCVTLEZ-BBRMVZONSA-N 0 3 285.391 2.852 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598623322 350296402 /nfs/dbraw/zinc/29/64/02/350296402.db2.gz WICPCKZGCVTLEZ-CZUORRHYSA-N 0 3 285.391 2.852 20 30 CFEDHN N#CCC1(CNCc2ccnn2CCc2ccccc2)CC1 ZINC000598637732 350298889 /nfs/dbraw/zinc/29/88/89/350298889.db2.gz DFJQTTCCZJNLHG-UHFFFAOYSA-N 0 3 294.402 2.909 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(OC(F)F)cc1 ZINC000598703214 350313334 /nfs/dbraw/zinc/31/33/34/350313334.db2.gz DSMGIMYYJXGSHK-LBPRGKRZSA-N 0 3 298.333 2.678 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCCOc2ccccc21 ZINC000598719845 350316996 /nfs/dbraw/zinc/31/69/96/350316996.db2.gz JXXFPBYPDOIQBD-ZFWWWQNUSA-N 0 3 288.391 2.791 20 30 CFEDHN Cc1ccc2c(c1C)OC[C@H]2NC[C@H](O)CC(C)(C)C#N ZINC000598721065 350317650 /nfs/dbraw/zinc/31/76/50/350317650.db2.gz RJHWHNOCJJLEJB-UKRRQHHQSA-N 0 3 288.391 2.627 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1COc2c1cccc2Cl ZINC000598722209 350318781 /nfs/dbraw/zinc/31/87/81/350318781.db2.gz ATJIACZJLGIOMR-MFKMUULPSA-N 0 3 294.782 2.664 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)cc1F ZINC000598723358 350319551 /nfs/dbraw/zinc/31/95/51/350319551.db2.gz GXJHYRSWXJSUAM-GFCCVEGCSA-N 0 3 284.762 2.869 20 30 CFEDHN Cc1cccnc1[C@@H](NC[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598595319 350289045 /nfs/dbraw/zinc/28/90/45/350289045.db2.gz ICMVUTZVBYKZBA-GJZGRUSLSA-N 0 3 289.423 2.978 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccccn1 ZINC000598592909 350289135 /nfs/dbraw/zinc/28/91/35/350289135.db2.gz NBICXPDWCDIQHZ-UKRRQHHQSA-N 0 3 273.380 2.519 20 30 CFEDHN COc1ccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)cc1F ZINC000598598558 350289881 /nfs/dbraw/zinc/28/98/81/350289881.db2.gz BDXIYSQJZNGKNM-WCQYABFASA-N 0 3 294.370 2.786 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNC1(c2nccs2)CCCC1 ZINC000598597016 350289990 /nfs/dbraw/zinc/28/99/90/350289990.db2.gz CERGVCAMGFCIIZ-LBPRGKRZSA-N 0 3 293.436 2.803 20 30 CFEDHN CC[C@](C)(NC[C@@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598596833 350290105 /nfs/dbraw/zinc/29/01/05/350290105.db2.gz APVPZUZIOUDODN-WFASDCNBSA-N 0 3 295.452 2.967 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598598833 350291176 /nfs/dbraw/zinc/29/11/76/350291176.db2.gz DIMBPUZHAIOHLK-ZIAGYGMSSA-N 0 3 290.407 2.955 20 30 CFEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@H](O)CC(C)(C)C#N ZINC000598613175 350294015 /nfs/dbraw/zinc/29/40/15/350294015.db2.gz HFGJXLFNIMNAQR-GMTAPVOTSA-N 0 3 278.318 2.560 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](c2ccncc2)C1 ZINC000598617053 350294345 /nfs/dbraw/zinc/29/43/45/350294345.db2.gz PEQULQAJTURDCV-CVEARBPZSA-N 0 3 287.407 2.562 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3CO2)cc1F ZINC000598989714 350354790 /nfs/dbraw/zinc/35/47/90/350354790.db2.gz RINVWVGYVWBKEE-KRWDZBQOSA-N 0 3 296.345 2.928 20 30 CFEDHN CC(C)CC[C@@H](CO)NCc1cc(C#N)cs1 ZINC000598990803 350355624 /nfs/dbraw/zinc/35/56/24/350355624.db2.gz IOZFFEWAYASZAH-LBPRGKRZSA-N 0 3 252.383 2.506 20 30 CFEDHN CCC[C@H](CNCc1ccc(C#N)cc1F)OCC ZINC000598989935 350355862 /nfs/dbraw/zinc/35/58/62/350355862.db2.gz WNAYJUJDGHDFAW-CQSZACIVSA-N 0 3 264.344 2.992 20 30 CFEDHN Cn1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000092034299 180310452 /nfs/dbraw/zinc/31/04/52/180310452.db2.gz AAJFGRKEJRRDHZ-UHFFFAOYSA-N 0 3 295.386 2.940 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000599068604 350370179 /nfs/dbraw/zinc/37/01/79/350370179.db2.gz AEBHIQNGDJDJEX-KBPBESRZSA-N 0 3 279.428 2.553 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)o1 ZINC000599277417 350405548 /nfs/dbraw/zinc/40/55/48/350405548.db2.gz HFAJGRJJKHJCJR-HNNXBMFYSA-N 0 3 296.374 2.938 20 30 CFEDHN Cc1noc([C@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599271244 350402755 /nfs/dbraw/zinc/40/27/55/350402755.db2.gz VVQUDIBZRXEKLE-HNNXBMFYSA-N 0 3 296.374 2.938 20 30 CFEDHN Cc1ccc(CN2CC[C@H](O)CC23CCC3)cc1C#N ZINC000599440483 350439543 /nfs/dbraw/zinc/43/95/43/350439543.db2.gz LPWPUYVLOGJHFV-INIZCTEOSA-N 0 3 270.376 2.746 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)cc1C#N ZINC000599432787 350436857 /nfs/dbraw/zinc/43/68/57/350436857.db2.gz CVBNPEXSPRVNJB-MRXNPFEDSA-N 0 3 272.392 2.850 20 30 CFEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599436091 350437824 /nfs/dbraw/zinc/43/78/24/350437824.db2.gz FQWUGUFRMHQPOJ-QGZVFWFLSA-N 0 3 286.375 2.642 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599298324 350409421 /nfs/dbraw/zinc/40/94/21/350409421.db2.gz VNVDNKCHPQPSSY-IAGOWNOFSA-N 0 3 272.392 2.992 20 30 CFEDHN Cc1cccnc1[C@H](NC[C@@H](O)CC1(C#N)CC1)C(C)C ZINC000599327450 350414615 /nfs/dbraw/zinc/41/46/15/350414615.db2.gz IIPRXMSQSGRMNK-LSDHHAIUSA-N 0 3 287.407 2.732 20 30 CFEDHN Cc1csc([C@@H](NC[C@@H](O)CC2(C#N)CC2)C2CC2)n1 ZINC000599353048 350421357 /nfs/dbraw/zinc/42/13/57/350421357.db2.gz KCCUTGDGRAKIOB-STQMWFEESA-N 0 3 291.420 2.547 20 30 CFEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(F)c1F ZINC000599352558 350421421 /nfs/dbraw/zinc/42/14/21/350421421.db2.gz CUCYLJMIJICCNG-QWRGUYRKSA-N 0 3 280.318 2.670 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599360494 350423232 /nfs/dbraw/zinc/42/32/32/350423232.db2.gz BNKKTVFCGUMIIP-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C[C@@H]1C[C@H]1CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000599366173 350424597 /nfs/dbraw/zinc/42/45/97/350424597.db2.gz LHDGAEKQNDNPJU-KMFMINBZSA-N 0 3 287.382 2.664 20 30 CFEDHN C=CC[C@@H]1CCN(CC[S@@](=O)c2ccccc2)C1 ZINC000599526101 350450715 /nfs/dbraw/zinc/45/07/15/350450715.db2.gz DSMPLFBQVMFTAD-RDTXWAMCSA-N 0 3 263.406 2.692 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000599526225 350450775 /nfs/dbraw/zinc/45/07/75/350450775.db2.gz HYJFNYZDMHSJDS-LLVKDONJSA-N 0 3 265.378 2.933 20 30 CFEDHN N#CC1(C[C@H](O)CN[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000599573412 350458657 /nfs/dbraw/zinc/45/86/57/350458657.db2.gz HBZIGXOXISFXOG-GOEBONIOSA-N 0 3 285.391 2.567 20 30 CFEDHN N#CC1(C[C@@H](O)CN[C@H](c2ccccn2)C2CCC2)CC1 ZINC000599573414 350458693 /nfs/dbraw/zinc/45/86/93/350458693.db2.gz HBZIGXOXISFXOG-ZBFHGGJFSA-N 0 3 285.391 2.567 20 30 CFEDHN COc1ccc(C(C)(C)NCCCC#N)cc1F ZINC000599599810 350463246 /nfs/dbraw/zinc/46/32/46/350463246.db2.gz VDAZQEBLWLGUPP-UHFFFAOYSA-N 0 3 250.317 2.963 20 30 CFEDHN Cc1ccc(CN2C[C@]3(C)COC[C@]3(C)C2)cc1C#N ZINC000599465803 350442800 /nfs/dbraw/zinc/44/28/00/350442800.db2.gz RUHFQRQVDWGCLQ-CALCHBBNSA-N 0 3 270.376 2.725 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599638868 350470008 /nfs/dbraw/zinc/47/00/08/350470008.db2.gz WWMDNYHJJSQLGS-BIENJYKASA-N 0 3 282.453 2.692 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@@H]2CCC[C@H]21 ZINC000599651491 350473019 /nfs/dbraw/zinc/47/30/19/350473019.db2.gz CHRPKRZFWLMKQO-BFHYXJOUSA-N 0 3 278.396 2.590 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000600183689 350533436 /nfs/dbraw/zinc/53/34/36/350533436.db2.gz CSCUJPPUWRMKPP-ZDUSSCGKSA-N 0 3 256.349 2.965 20 30 CFEDHN COC(=O)Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000600186488 350534405 /nfs/dbraw/zinc/53/44/05/350534405.db2.gz YZKMVPNWODBYKK-CVEARBPZSA-N 0 3 286.375 2.574 20 30 CFEDHN N#CCCCCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600229507 350544467 /nfs/dbraw/zinc/54/44/67/350544467.db2.gz LBCHHSUFSYRSKE-OAHLLOKOSA-N 0 3 277.412 2.594 20 30 CFEDHN Cc1oc2ccccc2c1CNC[C@H](O)CC1(C#N)CC1 ZINC000600737117 350603751 /nfs/dbraw/zinc/60/37/51/350603751.db2.gz UDXRVRVSJKNDIO-CYBMUJFWSA-N 0 3 284.359 2.886 20 30 CFEDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@@H](O)CC2(C#N)CC2)o1 ZINC000600716273 350600665 /nfs/dbraw/zinc/60/06/65/350600665.db2.gz JJFKWKVSQGMLPK-DYEKYZERSA-N 0 3 274.364 2.547 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000600763212 350607013 /nfs/dbraw/zinc/60/70/13/350607013.db2.gz KEIJHXPAGGHFAI-MRVPVSSYSA-N 0 3 293.729 2.779 20 30 CFEDHN Cc1ccc(-c2ccc(N3CCNCC3)cc2)c(C#N)c1 ZINC000600778178 350609762 /nfs/dbraw/zinc/60/97/62/350609762.db2.gz VALPSCBNGGDSBY-UHFFFAOYSA-N 0 3 277.371 2.943 20 30 CFEDHN COC[C@H](C)N(C(=O)C(C)C#N)[C@H]1CCc2ccccc21 ZINC000600792308 350613574 /nfs/dbraw/zinc/61/35/74/350613574.db2.gz KOCAPNHXTOFSFT-XEZPLFJOSA-N 0 3 286.375 2.697 20 30 CFEDHN C[C@H](CNC(=O)c1ccccc1CC#N)N1CCC[C@H](C)C1 ZINC000600998277 350643252 /nfs/dbraw/zinc/64/32/52/350643252.db2.gz UICYGVRXOOHENG-LSDHHAIUSA-N 0 3 299.418 2.603 20 30 CFEDHN N#Cc1cnc(N2CC[C@H](N3CCCC3)C2)c2sccc21 ZINC000601111249 350671455 /nfs/dbraw/zinc/67/14/55/350671455.db2.gz PJBUCQBKKPWISM-ZDUSSCGKSA-N 0 3 298.415 2.842 20 30 CFEDHN CCOC(=O)C1(C)CC(N[C@H](C)c2cccc(C#N)c2)C1 ZINC000601265673 350712526 /nfs/dbraw/zinc/71/25/26/350712526.db2.gz AUPPKUNXVGUQLH-OLJMKKDRSA-N 0 3 286.375 2.941 20 30 CFEDHN N#Cc1ccc(OCCN[C@@H]2CCCc3ncccc32)cc1 ZINC000601271764 350714086 /nfs/dbraw/zinc/71/40/86/350714086.db2.gz RQZQPBXXYNDOAT-GOSISDBHSA-N 0 3 293.370 2.999 20 30 CFEDHN CN1CCC(n2cc(NCc3cccc(C#N)c3)cn2)CC1 ZINC000601149311 350681959 /nfs/dbraw/zinc/68/19/59/350681959.db2.gz KVEFZDIRVUPCBL-UHFFFAOYSA-N 0 3 295.390 2.634 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccccc1CC#N ZINC000601170408 350687094 /nfs/dbraw/zinc/68/70/94/350687094.db2.gz QYXJQWXJBWKFIR-INIZCTEOSA-N 0 3 299.418 2.747 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000601622790 350749398 /nfs/dbraw/zinc/74/93/98/350749398.db2.gz VIOMNAKYQVCUBY-INIZCTEOSA-N 0 3 289.379 2.635 20 30 CFEDHN COc1ccc2c(c1)CC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000601282884 350717104 /nfs/dbraw/zinc/71/71/04/350717104.db2.gz HTHZMRULQIBUCL-NORZTCDRSA-N 0 3 256.349 2.964 20 30 CFEDHN CC(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000601301142 350720239 /nfs/dbraw/zinc/72/02/39/350720239.db2.gz RZRNRMIVKLFNIU-USZNOCQGSA-N 0 3 278.318 2.606 20 30 CFEDHN CN(CCCCC(C)(C)C#N)[C@H]1CCCCN(C)C1=O ZINC000601971001 350821873 /nfs/dbraw/zinc/82/18/73/350821873.db2.gz SQSBIRPJCVKYTD-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000601807174 350779733 /nfs/dbraw/zinc/77/97/33/350779733.db2.gz HKBMJTFHDFHSII-HOTGVXAUSA-N 0 3 285.391 2.512 20 30 CFEDHN Cc1cccc(CN2CC[C@@H](NC(=O)CCCCC#N)C2)c1 ZINC000601851552 350792255 /nfs/dbraw/zinc/79/22/55/350792255.db2.gz JAPVCTWTDRGBCA-QGZVFWFLSA-N 0 3 299.418 2.770 20 30 CFEDHN CC(C)OCCCCNCc1cccc(F)c1C#N ZINC000602014485 350831474 /nfs/dbraw/zinc/83/14/74/350831474.db2.gz DUOVVWIZIABRTG-UHFFFAOYSA-N 0 3 264.344 2.992 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCN1C1CCCC1 ZINC000602055359 350836886 /nfs/dbraw/zinc/83/68/86/350836886.db2.gz ZFQZOUAKNNBKMG-QGZVFWFLSA-N 0 3 297.402 2.534 20 30 CFEDHN C[C@H]1CCCN(CCNCc2cccc(F)c2C#N)C1 ZINC000602006272 350828731 /nfs/dbraw/zinc/82/87/31/350828731.db2.gz RQYNRMUXBHEZGG-ZDUSSCGKSA-N 0 3 275.371 2.519 20 30 CFEDHN CN(C)Cc1cccc(NCc2cccc(C#N)n2)c1 ZINC000602482424 350900552 /nfs/dbraw/zinc/90/05/52/350900552.db2.gz BYRQYHXMWYDGLB-UHFFFAOYSA-N 0 3 266.348 2.627 20 30 CFEDHN CS[C@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602482581 350901089 /nfs/dbraw/zinc/90/10/89/350901089.db2.gz DKMSYVVBMGBUIK-AWEZNQCLSA-N 0 3 261.394 2.671 20 30 CFEDHN C[C@@H](CCC#N)CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000602484041 350902049 /nfs/dbraw/zinc/90/20/49/350902049.db2.gz KVDSXQFUBDKBHM-ORAYPTAESA-N 0 3 278.421 2.796 20 30 CFEDHN C[C@@H]1CC[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1 ZINC000602595888 350939817 /nfs/dbraw/zinc/93/98/17/350939817.db2.gz FWVGOOFVGWFTQI-CJNGLKHVSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1 ZINC000602595889 350940039 /nfs/dbraw/zinc/94/00/39/350940039.db2.gz FWVGOOFVGWFTQI-CZUORRHYSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@@H](NC1CCC(C#N)CC1)c1nnc2n1CCCCC2 ZINC000602511631 350910499 /nfs/dbraw/zinc/91/04/99/350910499.db2.gz PFWRNRASFPLRGB-IYXRBSQSSA-N 0 3 287.411 2.737 20 30 CFEDHN Cc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602515672 350912199 /nfs/dbraw/zinc/91/21/99/350912199.db2.gz BINIMXYNZCREBC-AWEZNQCLSA-N 0 3 273.380 2.579 20 30 CFEDHN Cc1cccc(OC[C@H](C)NCc2cccc(C#N)n2)c1 ZINC000602525644 350913866 /nfs/dbraw/zinc/91/38/66/350913866.db2.gz IXLNPWUOIULMPB-AWEZNQCLSA-N 0 3 281.359 2.819 20 30 CFEDHN Cc1nc(CNC[C@H](C)CCC#N)nc2ccccc12 ZINC000602528449 350915175 /nfs/dbraw/zinc/91/51/75/350915175.db2.gz MXQAVLHPLNFWOM-GFCCVEGCSA-N 0 3 268.364 2.968 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000602535348 350916644 /nfs/dbraw/zinc/91/66/44/350916644.db2.gz YXISQAPBYBCKJL-INIZCTEOSA-N 0 3 291.439 2.730 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000602535349 350916800 /nfs/dbraw/zinc/91/68/00/350916800.db2.gz YXISQAPBYBCKJL-MRXNPFEDSA-N 0 3 291.439 2.730 20 30 CFEDHN Cc1cccc2nc(CNC[C@H](C)CCC#N)cn21 ZINC000602541159 350918553 /nfs/dbraw/zinc/91/85/53/350918553.db2.gz WCINGXWFBRAHIU-GFCCVEGCSA-N 0 3 256.353 2.672 20 30 CFEDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)CCC#N ZINC000602550304 350921250 /nfs/dbraw/zinc/92/12/50/350921250.db2.gz MCACLJCIUUKXNG-NSHDSACASA-N 0 3 277.324 2.633 20 30 CFEDHN CO[C@@H](C)c1nc(CNC[C@@H](C)CCC#N)cs1 ZINC000602564506 350925993 /nfs/dbraw/zinc/92/59/93/350925993.db2.gz MQBLFTYHXLWCKF-QWRGUYRKSA-N 0 3 267.398 2.880 20 30 CFEDHN CC(C)OC1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602584312 350935181 /nfs/dbraw/zinc/93/51/81/350935181.db2.gz ZYLJXHSSFZGJPD-UHFFFAOYSA-N 0 3 273.380 2.779 20 30 CFEDHN CCOc1ccc(NC(=O)CNC[C@H](C)CCC#N)cc1 ZINC000602584992 350935399 /nfs/dbraw/zinc/93/53/99/350935399.db2.gz ALTQBAVEVYUWJX-CYBMUJFWSA-N 0 3 289.379 2.553 20 30 CFEDHN COc1ccccc1N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602427404 350878094 /nfs/dbraw/zinc/87/80/94/350878094.db2.gz GUSHRWQRVPNBCO-HNNXBMFYSA-N 0 3 287.407 2.757 20 30 CFEDHN Cc1nc(CN2CCN(C[C@H](C)CCC#N)CC2)cs1 ZINC000602435430 350881041 /nfs/dbraw/zinc/88/10/41/350881041.db2.gz UFTZGOAFGQADGA-CYBMUJFWSA-N 0 3 292.452 2.509 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000602446239 350886346 /nfs/dbraw/zinc/88/63/46/350886346.db2.gz ZMZIFCDWCJKRTB-NWDGAFQWSA-N 0 3 278.318 2.970 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2cccc(C#N)n2)C1 ZINC000602593624 350938655 /nfs/dbraw/zinc/93/86/55/350938655.db2.gz LSTPTAAVMRCGAN-SUMWQHHRSA-N 0 3 287.407 2.620 20 30 CFEDHN C[C@@H](CCC#N)CN(C)Cc1nc2ccccc2n1C ZINC000602473726 350896231 /nfs/dbraw/zinc/89/62/31/350896231.db2.gz OVDJZLJWWYAHST-ZDUSSCGKSA-N 0 3 270.380 2.945 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000602642070 350958451 /nfs/dbraw/zinc/95/84/51/350958451.db2.gz HPZSEXOUGJAUBE-LVQVYYBASA-N 0 3 280.412 2.585 20 30 CFEDHN CC(C)c1ncc(CN(C)C[C@@H](C)CCC#N)cn1 ZINC000602658328 350963489 /nfs/dbraw/zinc/96/34/89/350963489.db2.gz UMCNAUHLMJTVFV-ZDUSSCGKSA-N 0 3 260.385 2.972 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)Cc2ccccc21 ZINC000602668736 350968932 /nfs/dbraw/zinc/96/89/32/350968932.db2.gz FKEADSFLOGOMQD-AWEZNQCLSA-N 0 3 257.381 2.878 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)n1 ZINC000602668884 350969105 /nfs/dbraw/zinc/96/91/05/350969105.db2.gz VFSRPQZWUILHLG-LSDHHAIUSA-N 0 3 285.391 2.592 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000602679811 350974506 /nfs/dbraw/zinc/97/45/06/350974506.db2.gz SCBOQHPVUUSLEM-PVAVHDDUSA-N 0 3 290.382 2.726 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000602679320 350975053 /nfs/dbraw/zinc/97/50/53/350975053.db2.gz CZKNRJZPBCPIDT-KFWWJZLASA-N 0 3 299.418 2.882 20 30 CFEDHN COC(=O)c1cccc2c1CCN(C[C@@H](C)CCC#N)C2 ZINC000602687864 350979679 /nfs/dbraw/zinc/97/96/79/350979679.db2.gz NEBGHYJYBZEDKJ-ZDUSSCGKSA-N 0 3 286.375 2.771 20 30 CFEDHN C[C@H](O)[C@@H](NC1CCC(C#N)CC1)c1ccccc1F ZINC000602697812 350984402 /nfs/dbraw/zinc/98/44/02/350984402.db2.gz IODAMRBOXUYBGD-PIISCBOPSA-N 0 3 276.355 2.920 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000602701890 350987882 /nfs/dbraw/zinc/98/78/82/350987882.db2.gz ZAKQSKVNUZKZAI-RHSMWYFYSA-N 0 3 263.344 2.847 20 30 CFEDHN C[C@H](CCC#N)CNCc1cnc(C(F)(F)F)nc1 ZINC000602704034 350989359 /nfs/dbraw/zinc/98/93/59/350989359.db2.gz AZFNQMRCOBCQJC-SECBINFHSA-N 0 3 272.274 2.525 20 30 CFEDHN C=CCCSCCNCc1cc(C(=O)OC)cs1 ZINC000602711688 350993684 /nfs/dbraw/zinc/99/36/84/350993684.db2.gz VMZSDRHKDVZQOZ-UHFFFAOYSA-N 0 3 285.434 2.934 20 30 CFEDHN COc1ccc(F)c(CNC[C@@H](C)CCC#N)c1 ZINC000602714401 350996030 /nfs/dbraw/zinc/99/60/30/350996030.db2.gz IRKASUAPQOSSKF-NSHDSACASA-N 0 3 250.317 2.864 20 30 CFEDHN C[C@@H](CCC#N)CN[C@H](CO)c1ccc(F)cc1F ZINC000602723849 351001293 /nfs/dbraw/zinc/00/12/93/351001293.db2.gz UHRNMVVZXFFNNY-IINYFYTJSA-N 0 3 268.307 2.528 20 30 CFEDHN N#CCc1cccc2c1CCN(CCC[C@H]1CCO1)C2 ZINC000602730609 351003933 /nfs/dbraw/zinc/00/39/33/351003933.db2.gz RQHHMGWFQRKEIQ-INIZCTEOSA-N 0 3 270.376 2.680 20 30 CFEDHN C=CCCC(C)(C)CNCc1cc(C(=O)OC)no1 ZINC000602731835 351004722 /nfs/dbraw/zinc/00/47/22/351004722.db2.gz BVQUTYRTVJDNDY-UHFFFAOYSA-N 0 3 266.341 2.543 20 30 CFEDHN C[C@H](CCC#N)CN[C@H]1COc2cc(F)cc(F)c21 ZINC000602609820 350944638 /nfs/dbraw/zinc/94/46/38/350944638.db2.gz WALZHVSBIJBLGH-SKDRFNHKSA-N 0 3 266.291 2.928 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000602615348 350947177 /nfs/dbraw/zinc/94/71/77/350947177.db2.gz UNLRWTKYMSUEFL-HZPDHXFCSA-N 0 3 291.439 2.826 20 30 CFEDHN COc1ccc2c(c1)nc(CNC1CCC(C#N)CC1)n2C ZINC000602618531 350949149 /nfs/dbraw/zinc/94/91/49/350949149.db2.gz IVSLPOJASZJVKU-UHFFFAOYSA-N 0 3 298.390 2.754 20 30 CFEDHN CO[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000602639572 350957471 /nfs/dbraw/zinc/95/74/71/350957471.db2.gz KKEQWALFHCURBE-HZPDHXFCSA-N 0 3 256.349 2.560 20 30 CFEDHN CO[C@@H](CN[C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000602639569 350957552 /nfs/dbraw/zinc/95/75/52/350957552.db2.gz KKEQWALFHCURBE-HOTGVXAUSA-N 0 3 256.349 2.560 20 30 CFEDHN Cc1ccc(OCCN(C)CC2(CC#N)CC2)cc1 ZINC000602766502 351018443 /nfs/dbraw/zinc/01/84/43/351018443.db2.gz METIEQXSBWTLFT-UHFFFAOYSA-N 0 3 258.365 3.000 20 30 CFEDHN N#CCC1(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000602796748 351029683 /nfs/dbraw/zinc/02/96/83/351029683.db2.gz FRDWOTBPZIJUNQ-ZDUSSCGKSA-N 0 3 285.395 2.555 20 30 CFEDHN N#CCC1(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000602796748 351029688 /nfs/dbraw/zinc/02/96/88/351029688.db2.gz FRDWOTBPZIJUNQ-ZDUSSCGKSA-N 0 3 285.395 2.555 20 30 CFEDHN CC1(C)CO[C@@H](CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000602804946 351032588 /nfs/dbraw/zinc/03/25/88/351032588.db2.gz ICAHNEQXKQLDNN-OAHLLOKOSA-N 0 3 270.376 2.952 20 30 CFEDHN N#CCC1(CN2CCC(c3ccncc3)CC2)CC1 ZINC000602822365 351038024 /nfs/dbraw/zinc/03/80/24/351038024.db2.gz SDXVRQGXEVYZSZ-UHFFFAOYSA-N 0 3 255.365 2.955 20 30 CFEDHN CC[C@@H](CC(F)F)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847383 351044127 /nfs/dbraw/zinc/04/41/27/351044127.db2.gz AYYWUTBTXQDWIC-XQQFMLRXSA-N 0 3 273.371 2.586 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)Cc1cc[nH]c(=O)c1 ZINC000602847623 351044177 /nfs/dbraw/zinc/04/41/77/351044177.db2.gz SZKYRMINZXQZKV-GFCCVEGCSA-N 0 3 267.332 2.852 20 30 CFEDHN C[C@@H]1CN(CCC2CCCCC2)C[C@@H](C)N1CC#N ZINC000602855999 351047313 /nfs/dbraw/zinc/04/73/13/351047313.db2.gz XPLFSMNJULLYGW-HUUCEWRRSA-N 0 3 263.429 2.875 20 30 CFEDHN C[C@H]1CCN(CC2(CC#N)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000602857422 351047817 /nfs/dbraw/zinc/04/78/17/351047817.db2.gz WQCZNVWAWJRXOH-UONOGXRCSA-N 0 3 292.423 2.980 20 30 CFEDHN Cc1ccccc1CCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865445 351052160 /nfs/dbraw/zinc/05/21/60/351052160.db2.gz SXDQBHYPSLGURA-CALCHBBNSA-N 0 3 285.435 2.846 20 30 CFEDHN CN1CCN(CCc2ccc(C#N)cc2)C[C@@H]1C(C)(C)C ZINC000602873806 351055118 /nfs/dbraw/zinc/05/51/18/351055118.db2.gz LPFCSMHBWWHPLD-QGZVFWFLSA-N 0 3 285.435 2.763 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602880828 351056316 /nfs/dbraw/zinc/05/63/16/351056316.db2.gz MQDMRYGEJOSRGV-MRXNPFEDSA-N 0 3 266.348 2.813 20 30 CFEDHN Cn1cc(C2=CCCN(CCCC(C)(C)C#N)C2)cn1 ZINC000602883990 351057320 /nfs/dbraw/zinc/05/73/20/351057320.db2.gz AJZPZRPMLZKREM-UHFFFAOYSA-N 0 3 272.396 2.839 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602883806 351057601 /nfs/dbraw/zinc/05/76/01/351057601.db2.gz MPAPRPKIQBLZIW-YPMHNXCESA-N 0 3 278.356 2.553 20 30 CFEDHN Cn1cc(C2=CCCN(Cc3ccc(C#N)cc3)C2)cn1 ZINC000602890269 351059693 /nfs/dbraw/zinc/05/96/93/351059693.db2.gz ZTVZOQMHQRWAQC-UHFFFAOYSA-N 0 3 278.359 2.581 20 30 CFEDHN COc1ccc([C@@H](NCC2(CC#N)CC2)C2CC2)cn1 ZINC000602916969 351064209 /nfs/dbraw/zinc/06/42/09/351064209.db2.gz JMZWXYSQOHUFJC-HNNXBMFYSA-N 0 3 271.364 2.825 20 30 CFEDHN CC1(C)CCC[C@@H](CN2CCN(CCC#N)CC2)C1 ZINC000602748673 351012622 /nfs/dbraw/zinc/01/26/22/351012622.db2.gz PRFPBXXWAZOTMN-OAHLLOKOSA-N 0 3 263.429 2.734 20 30 CFEDHN CCC[C@H](N)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603228588 351122163 /nfs/dbraw/zinc/12/21/63/351122163.db2.gz RFWMJHGIGNPYHO-FZMZJTMJSA-N 0 3 269.352 2.559 20 30 CFEDHN Cc1cc(C#N)ccc1Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000603234829 351122786 /nfs/dbraw/zinc/12/27/86/351122786.db2.gz FBVYJNVRFYDEQL-HNNXBMFYSA-N 0 3 283.379 2.552 20 30 CFEDHN CC[C@@](C)(NCCOCCC#N)c1ccc(F)cc1 ZINC000602924220 351067955 /nfs/dbraw/zinc/06/79/55/351067955.db2.gz MHXVBCPIXJYZSP-OAHLLOKOSA-N 0 3 264.344 2.971 20 30 CFEDHN N#CCCOCCN1CCC(Oc2ccccc2F)CC1 ZINC000602944052 351070981 /nfs/dbraw/zinc/07/09/81/351070981.db2.gz BJIITUAAPLKKTG-UHFFFAOYSA-N 0 3 292.354 2.599 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1F ZINC000602997523 351088239 /nfs/dbraw/zinc/08/82/39/351088239.db2.gz MAJXNEAEUYGPMK-XIRDDKMYSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1F ZINC000602997276 351088545 /nfs/dbraw/zinc/08/85/45/351088545.db2.gz GTTHCWOWBRFCJD-PVAVHDDUSA-N 0 3 288.366 2.823 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](C2CCC2)CC1 ZINC000603000007 351089404 /nfs/dbraw/zinc/08/94/04/351089404.db2.gz RAVQICXLPZSYCP-HOCLYGCPSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3occc3s2)CC1 ZINC000605509725 351251025 /nfs/dbraw/zinc/25/10/25/351251025.db2.gz FFUFYRUYFJUAJG-UHFFFAOYSA-N 0 3 290.388 2.875 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000604328484 351208137 /nfs/dbraw/zinc/20/81/37/351208137.db2.gz VUUXCYOETPIKTL-INIZCTEOSA-N 0 3 298.430 2.873 20 30 CFEDHN N#Cc1ccc(N2CCC(NCc3ccccn3)CC2)cc1 ZINC000604497477 351215613 /nfs/dbraw/zinc/21/56/13/351215613.db2.gz BPWQTBBMYVEXHT-UHFFFAOYSA-N 0 3 292.386 2.712 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000271431443 191134394 /nfs/dbraw/zinc/13/43/94/191134394.db2.gz DDWJVOFEXVWODU-OLZOCXBDSA-N 0 3 269.348 2.834 20 30 CFEDHN CCC[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000608815929 351474948 /nfs/dbraw/zinc/47/49/48/351474948.db2.gz PQTXQIURRGOEMF-SJORKVTESA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CCO)C1 ZINC000609826672 351521900 /nfs/dbraw/zinc/52/19/00/351521900.db2.gz PJAWFFOSZQACPN-HIFRSBDPSA-N 0 3 258.365 2.714 20 30 CFEDHN CCCN(Cc1ccc(OC)cc1)C(=O)C(C)C#N ZINC000609919728 351528203 /nfs/dbraw/zinc/52/82/03/351528203.db2.gz GXFOQESKJQWVFW-LBPRGKRZSA-N 0 3 260.337 2.593 20 30 CFEDHN CC(C#N)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000609921122 351528456 /nfs/dbraw/zinc/52/84/56/351528456.db2.gz KSYIDGLHHIBCSN-QMMMGPOBSA-N 0 3 287.146 2.648 20 30 CFEDHN COc1cc(C)ccc1[C@H](C)NC1CCN(CC#N)CC1 ZINC000610813526 351611739 /nfs/dbraw/zinc/61/17/39/351611739.db2.gz JTVDDNVEUQAHTP-AWEZNQCLSA-N 0 3 287.407 2.642 20 30 CFEDHN N#CCCCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000610847197 351613093 /nfs/dbraw/zinc/61/30/93/351613093.db2.gz UMWUNFKTWVQFGE-UHFFFAOYSA-N 0 3 254.337 2.656 20 30 CFEDHN CC(C)(C)CN(CCO)Cc1ccc(F)c(C#N)c1 ZINC000610719799 351597225 /nfs/dbraw/zinc/59/72/25/351597225.db2.gz WVCPBKQODPSIFD-UHFFFAOYSA-N 0 3 264.344 2.538 20 30 CFEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@H]3CCC[C@@H]3C2)C(N)=O)cc1 ZINC000610342659 351555990 /nfs/dbraw/zinc/55/59/90/351555990.db2.gz VMOAWPDSLGGPEE-DZUCGIPZSA-N 0 3 297.402 2.643 20 30 CFEDHN N#Cc1cccc(CN2CCC3(CCOC3)CC2)c1 ZINC000611177763 351647467 /nfs/dbraw/zinc/64/74/67/351647467.db2.gz KURXKCAYDMYERN-UHFFFAOYSA-N 0 3 256.349 2.561 20 30 CFEDHN Cc1cc(C)n(CCN[C@H](C)c2cccc(C#N)c2)n1 ZINC000611388747 351679306 /nfs/dbraw/zinc/67/93/06/351679306.db2.gz MFPLTORIAPZCFJ-CQSZACIVSA-N 0 3 268.364 2.722 20 30 CFEDHN CC(C)OC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000611388356 351679402 /nfs/dbraw/zinc/67/94/02/351679402.db2.gz GCPQJLYTQGKERX-GFCCVEGCSA-N 0 3 260.337 2.551 20 30 CFEDHN N#Cc1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)ccn1 ZINC000611395636 351682418 /nfs/dbraw/zinc/68/24/18/351682418.db2.gz LJOWZFCKVSQNDP-FUHWJXTLSA-N 0 3 293.370 2.821 20 30 CFEDHN CC(C)(C#N)CCNC(C)(C)C(=O)Nc1ccccc1 ZINC000611463062 351693399 /nfs/dbraw/zinc/69/33/99/351693399.db2.gz RYVZQJWWDOYFBW-UHFFFAOYSA-N 0 3 273.380 2.933 20 30 CFEDHN CCN1CCN(c2ccc3cc(C#N)ccc3n2)C[C@H]1C ZINC000611305571 351667548 /nfs/dbraw/zinc/66/75/48/351667548.db2.gz KFMRRZXJXJOZFV-CYBMUJFWSA-N 0 3 280.375 2.637 20 30 CFEDHN N#CCC1CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000611622796 351716978 /nfs/dbraw/zinc/71/69/78/351716978.db2.gz LZEZRZHVGYCEKF-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN N#CCC1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000611622796 351716983 /nfs/dbraw/zinc/71/69/83/351716983.db2.gz LZEZRZHVGYCEKF-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000611696399 351724607 /nfs/dbraw/zinc/72/46/07/351724607.db2.gz ADFXTVHGVOCKBM-XJKSGUPXSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@@H](N[C@@H](C)C(C)(C)O)c1ccc(C#N)cc1F ZINC000611588546 351712513 /nfs/dbraw/zinc/71/25/13/351712513.db2.gz FJCPGQJPNFDAAN-ZJUUUORDSA-N 0 3 250.317 2.507 20 30 CFEDHN C[C@H](N[C@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000611588930 351712685 /nfs/dbraw/zinc/71/26/85/351712685.db2.gz BYQXTTJSTIUWOF-GWCFXTLKSA-N 0 3 262.328 2.509 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCCC2)o1 ZINC000418131073 233784433 /nfs/dbraw/zinc/78/44/33/233784433.db2.gz VVBBDKRBZNWUNZ-ZDUSSCGKSA-N 0 3 262.353 2.572 20 30 CFEDHN COc1cccc(CC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000612335134 351804856 /nfs/dbraw/zinc/80/48/56/351804856.db2.gz LRNWJSJANJFFJV-CYBMUJFWSA-N 0 3 286.375 2.636 20 30 CFEDHN C[C@]1(C#N)CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000612365432 351808059 /nfs/dbraw/zinc/80/80/59/351808059.db2.gz VXFHQWHUDIBCHZ-NVXWUHKLSA-N 0 3 289.423 2.546 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)cc2F)CN1C1CC1 ZINC000123024946 187066646 /nfs/dbraw/zinc/06/66/46/187066646.db2.gz NTHAYCSVRHQLCD-CMPLNLGQSA-N 0 3 259.328 2.734 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](O)Cc1ccccc1 ZINC000123307718 187084266 /nfs/dbraw/zinc/08/42/66/187084266.db2.gz GPTDUYDSRQBINY-MLGOLLRUSA-N 0 3 286.400 2.701 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)[C@H](O)Cc1ccccc1 ZINC000123326708 187085168 /nfs/dbraw/zinc/08/51/68/187085168.db2.gz YYIDXVDBGHSKFA-RDTXWAMCSA-N 0 3 280.371 2.640 20 30 CFEDHN CN1CC[C@@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)[C@H]2C1 ZINC000613429337 351958375 /nfs/dbraw/zinc/95/83/75/351958375.db2.gz QTDUMEDYAFMDGM-HIFRSBDPSA-N 0 3 298.434 2.781 20 30 CFEDHN CCN1CCN(Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000614177545 352057242 /nfs/dbraw/zinc/05/72/42/352057242.db2.gz QRPQUORZJZDTFP-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCN(c2ccncc2)CC1 ZINC000614464582 352096675 /nfs/dbraw/zinc/09/66/75/352096675.db2.gz UOAGFLROQWEPHV-OAHLLOKOSA-N 0 3 292.386 2.836 20 30 CFEDHN C=CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000271482385 191164008 /nfs/dbraw/zinc/16/40/08/191164008.db2.gz STIUKWKFEYMXSD-MRXNPFEDSA-N 0 3 287.407 2.649 20 30 CFEDHN COCCN(Cc1ccnc(C#N)c1)[C@@H]1CC[C@@H](C)C1 ZINC000616873156 352435799 /nfs/dbraw/zinc/43/57/99/352435799.db2.gz VWWASMAVZIHZOH-CZUORRHYSA-N 0 3 273.380 2.590 20 30 CFEDHN N#Cc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292075393 198154164 /nfs/dbraw/zinc/15/41/64/198154164.db2.gz FBPCVQJYUXIZMN-KRWDZBQOSA-N 0 3 270.376 2.807 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC000617039096 352474510 /nfs/dbraw/zinc/47/45/10/352474510.db2.gz CDEWSYCJVRNHDM-MGPQQGTHSA-N 0 3 252.402 2.578 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN([C@@H]3C=CCCC3)C2)nc1 ZINC000292089379 198158789 /nfs/dbraw/zinc/15/87/89/198158789.db2.gz FIXOGAQGEPRYSW-CABCVRRESA-N 0 3 269.348 2.515 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OC(F)(F)F ZINC000320333245 539901679 /nfs/dbraw/zinc/90/16/79/539901679.db2.gz ZQTYIYFOJQSBMH-LLVKDONJSA-N 0 3 275.270 2.612 20 30 CFEDHN CCCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292123628 198171767 /nfs/dbraw/zinc/17/17/67/198171767.db2.gz IEBOCXPDYXEQLD-AWEZNQCLSA-N 0 3 259.353 2.597 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccnc(C#N)c2)C[C@H]1OC ZINC000617548450 352579288 /nfs/dbraw/zinc/57/92/88/352579288.db2.gz OBEFEFZCEFONPF-HUUCEWRRSA-N 0 3 273.380 2.637 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000617925767 352672601 /nfs/dbraw/zinc/67/26/01/352672601.db2.gz SUNKZQYHAHQJQE-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1cc(CNCCN2Cc3ccccc3C2)ccc1C#N ZINC000618191991 352735390 /nfs/dbraw/zinc/73/53/90/352735390.db2.gz CFQCGUWLKAHUDJ-UHFFFAOYSA-N 0 3 291.398 2.972 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618891006 352906581 /nfs/dbraw/zinc/90/65/81/352906581.db2.gz QIMQBUMDTFFOGL-IIYDPXPESA-N 0 3 297.402 2.535 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618893794 352906973 /nfs/dbraw/zinc/90/69/73/352906973.db2.gz ZZZIIJAOJBURSW-IRXDYDNUSA-N 0 3 297.402 2.536 20 30 CFEDHN Cc1nn(C)cc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618803604 352883340 /nfs/dbraw/zinc/88/33/40/352883340.db2.gz YHAJRYSECXXTOC-PIGZYNQJSA-N 0 3 280.375 2.938 20 30 CFEDHN C=CC[C@@H](CO)NCc1c(C)nn(-c2ccccc2)c1C ZINC000321050493 539944061 /nfs/dbraw/zinc/94/40/61/539944061.db2.gz VNFVYEQURRTYGG-HNNXBMFYSA-N 0 3 285.391 2.516 20 30 CFEDHN CC(C)CCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619273674 352989686 /nfs/dbraw/zinc/98/96/86/352989686.db2.gz JPCYCCXWWARZOD-INIZCTEOSA-N 0 3 283.375 2.745 20 30 CFEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000619748631 353063544 /nfs/dbraw/zinc/06/35/44/353063544.db2.gz PFQHULJMSDVFLD-SMDDNHRTSA-N 0 3 289.810 2.926 20 30 CFEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000619612236 353040176 /nfs/dbraw/zinc/04/01/76/353040176.db2.gz KRSGMIKYDIAKID-BFHYXJOUSA-N 0 3 250.386 2.721 20 30 CFEDHN CCN(CC)C(=O)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000154341997 188136770 /nfs/dbraw/zinc/13/67/70/188136770.db2.gz MQLQNCQRVMUNSM-KBPBESRZSA-N 0 3 287.407 2.856 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCOC1 ZINC000154597207 188152549 /nfs/dbraw/zinc/15/25/49/188152549.db2.gz ZNSXRKFUFCZUNP-AWEZNQCLSA-N 0 3 263.768 2.660 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2O[C@H](C)C1 ZINC000292441080 198289241 /nfs/dbraw/zinc/28/92/41/198289241.db2.gz OLGHIQXEVWZIKL-HIFRSBDPSA-N 0 3 261.365 2.597 20 30 CFEDHN CC#CCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000155046500 188178749 /nfs/dbraw/zinc/17/87/49/188178749.db2.gz KFTWXWFCIHNMCI-UHFFFAOYSA-N 0 3 255.361 2.995 20 30 CFEDHN CC#CCCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000155054593 188178923 /nfs/dbraw/zinc/17/89/23/188178923.db2.gz IZLBTAYLRYCSAP-UHFFFAOYSA-N 0 3 270.376 2.751 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C1CCC1)C1CCC1 ZINC000292474199 198301969 /nfs/dbraw/zinc/30/19/69/198301969.db2.gz ROSZABFIKGPWBY-UHFFFAOYSA-N 0 3 262.397 2.594 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)c2F)CC1 ZINC000155966444 188238351 /nfs/dbraw/zinc/23/83/51/188238351.db2.gz RSOWXHNXHWUKAL-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCN[C@@H](C(C)C)C1)c1ccccc1 ZINC000621156979 353288736 /nfs/dbraw/zinc/28/87/36/353288736.db2.gz MABCPSLCMNBQKM-IAGOWNOFSA-N 0 3 286.419 2.803 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000156486204 188265003 /nfs/dbraw/zinc/26/50/03/188265003.db2.gz IQFUBLBHNMWNNX-PBHICJAKSA-N 0 3 280.375 2.838 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000156818485 188283561 /nfs/dbraw/zinc/28/35/61/188283561.db2.gz DJNDIUQEEHIGBI-INIZCTEOSA-N 0 3 287.407 2.699 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000292621187 198353430 /nfs/dbraw/zinc/35/34/30/198353430.db2.gz JTBPVPIQIGWITQ-CYBMUJFWSA-N 0 3 282.334 2.617 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(F)cc1F ZINC000271696836 191281147 /nfs/dbraw/zinc/28/11/47/191281147.db2.gz RVQWNRLMPBCRAT-JQWIXIFHSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NCCN1CCCC[C@H]1C ZINC000623461418 353650181 /nfs/dbraw/zinc/65/01/81/353650181.db2.gz KLAKUQOCXFTCNE-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(Cl)c(OC)c1 ZINC000623542152 353667397 /nfs/dbraw/zinc/66/73/97/353667397.db2.gz PIXJCSNOMJWTTP-GFCCVEGCSA-N 0 3 269.772 2.765 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000623735131 353713962 /nfs/dbraw/zinc/71/39/62/353713962.db2.gz LRLAOWVNJGQKOI-STQMWFEESA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC)c1cc(C)ccc1C ZINC000623945917 353767177 /nfs/dbraw/zinc/76/71/77/353767177.db2.gz HSQMHKYZXNLHIA-HNNXBMFYSA-N 0 3 260.381 2.646 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623964930 353770399 /nfs/dbraw/zinc/77/03/99/353770399.db2.gz UXMZNCGRPRZOAW-HNNXBMFYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000624377259 353872785 /nfs/dbraw/zinc/87/27/85/353872785.db2.gz UNLSGXQPCTYAFA-JKSUJKDBSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)C(F)(F)F)CC1 ZINC000625323454 354021947 /nfs/dbraw/zinc/02/19/47/354021947.db2.gz XVAFIRGCCTVEJC-NSHDSACASA-N 0 3 292.345 2.732 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cncc(OC)n1 ZINC000625529742 354065308 /nfs/dbraw/zinc/06/53/08/354065308.db2.gz SMBYTXOWQHMRFX-OCCSQVGLSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C12CC(C1)C2)C(C)C ZINC000625557811 354068518 /nfs/dbraw/zinc/06/85/18/354068518.db2.gz PTWPUODCKQZXGA-CKDBGZEDSA-N 0 3 276.424 2.601 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000625700521 354089260 /nfs/dbraw/zinc/08/92/60/354089260.db2.gz JSONOVWAPXCVDI-CYBMUJFWSA-N 0 3 270.380 2.675 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000625702516 354090057 /nfs/dbraw/zinc/09/00/57/354090057.db2.gz ZBSCUEGTHAMGTD-CABCVRRESA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(CC)c2ccccc2)C1 ZINC000625703277 354090284 /nfs/dbraw/zinc/09/02/84/354090284.db2.gz MMXNIJOCQSSYHM-HNNXBMFYSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000625702091 354090414 /nfs/dbraw/zinc/09/04/14/354090414.db2.gz NBYKZBVDXPKIBD-AWEZNQCLSA-N 0 3 268.364 2.665 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000625705165 354091235 /nfs/dbraw/zinc/09/12/35/354091235.db2.gz YBLGUFYZTOPIGS-RRFJBIMHSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(OC)cc1OC ZINC000625847210 354127157 /nfs/dbraw/zinc/12/71/57/354127157.db2.gz QYOOOVNGSUEUFG-QWHCGFSZSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCC1(NCc2nnnn2C(C)(C)C)CCCCC1 ZINC000625934850 354149105 /nfs/dbraw/zinc/14/91/05/354149105.db2.gz CSWNRWWQNJJJRA-UHFFFAOYSA-N 0 3 277.416 2.797 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1C[C@@H](O)C1 ZINC000626044931 354179052 /nfs/dbraw/zinc/17/90/52/354179052.db2.gz ZKBKMYUCAYKVCI-OTVXOJSOSA-N 0 3 297.320 2.760 20 30 CFEDHN C=CCn1cc(CNC[C@H]2CCCC[C@@H]2CC)nn1 ZINC000628318534 354543351 /nfs/dbraw/zinc/54/33/51/354543351.db2.gz JUVVNIZXNAVIEB-UONOGXRCSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCC1(NCc2oc(C)nc2C)CCOCC1 ZINC000628338852 354552306 /nfs/dbraw/zinc/55/23/06/354552306.db2.gz XNXVUMAXPJURDV-UHFFFAOYSA-N 0 3 250.342 2.506 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cn(-c3ccncc3)nc2C)C1 ZINC000628406855 354579935 /nfs/dbraw/zinc/57/99/35/354579935.db2.gz SIBUYWXKHMJXFE-OAHLLOKOSA-N 0 3 282.391 2.974 20 30 CFEDHN C=CC(C)(C)CCNCCS(=O)(=O)c1ccccc1 ZINC000629588154 354852587 /nfs/dbraw/zinc/85/25/87/354852587.db2.gz IUVOVFJJQCSBKB-UHFFFAOYSA-N 0 3 281.421 2.652 20 30 CFEDHN C=CCOCCNCc1ccc(OCc2ccncc2)cc1 ZINC000679485643 540065110 /nfs/dbraw/zinc/06/51/10/540065110.db2.gz JSMIUMGLJBFQDQ-UHFFFAOYSA-N 0 3 298.386 2.953 20 30 CFEDHN N#Cc1c(Cl)cccc1N1CCN(CC2CC2)CC1 ZINC000048346400 283072902 /nfs/dbraw/zinc/07/29/02/283072902.db2.gz VNLVOJAQMGYLJA-UHFFFAOYSA-N 0 3 275.783 2.744 20 30 CFEDHN C=C1CC(C)(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000630713334 355158091 /nfs/dbraw/zinc/15/80/91/355158091.db2.gz AMJFYHQHBZAXEW-UHFFFAOYSA-N 0 3 298.430 2.907 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271786249 191326190 /nfs/dbraw/zinc/32/61/90/191326190.db2.gz TXPPRFIYZWWMPN-RYUDHWBXSA-N 0 3 264.325 2.573 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cccc(F)c1F ZINC000271801611 191335140 /nfs/dbraw/zinc/33/51/40/191335140.db2.gz PMXHHJASVYPICG-QWRGUYRKSA-N 0 3 255.308 2.943 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(C#N)c1 ZINC000271845461 191362869 /nfs/dbraw/zinc/36/28/69/191362869.db2.gz HNDHZVFOEDJAIS-BXKDBHETSA-N 0 3 272.270 2.522 20 30 CFEDHN N#Cc1cc(Cl)ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266305334 283095014 /nfs/dbraw/zinc/09/50/14/283095014.db2.gz ZGALMJROGIOUQQ-CQSZACIVSA-N 0 3 273.767 2.662 20 30 CFEDHN C=CCCC(C)(C)CNCc1c(C)nnn1CC ZINC000631220064 355357503 /nfs/dbraw/zinc/35/75/03/355357503.db2.gz PSUXNAIIZXKRBV-UHFFFAOYSA-N 0 3 250.390 2.688 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000668139194 540158710 /nfs/dbraw/zinc/15/87/10/540158710.db2.gz XNQVKCHOHSXNAP-DOTOQJQBSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCC[C@@H](C)NCc1c(Br)cnn1C ZINC000631685359 355547260 /nfs/dbraw/zinc/54/72/60/355547260.db2.gz SSTPQFBKCWWPLP-SECBINFHSA-N 0 3 272.190 2.627 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2cc(OC)ccc21 ZINC000631598976 355509174 /nfs/dbraw/zinc/50/91/74/355509174.db2.gz HBFPTOYQXAWQJB-MRXNPFEDSA-N 0 3 261.365 2.865 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634278264 356135745 /nfs/dbraw/zinc/13/57/45/356135745.db2.gz UWSGEZJYOWUCCM-SFHVURJKSA-N 0 3 298.430 2.879 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000680580823 540240306 /nfs/dbraw/zinc/24/03/06/540240306.db2.gz FQLCUEUFYUCSKT-ZWKOTPCHSA-N 0 3 288.435 2.520 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCOC(F)(F)F)CC2 ZINC000353592376 283198370 /nfs/dbraw/zinc/19/83/70/283198370.db2.gz ANNGNDQNERFLQX-GFCCVEGCSA-N 0 3 270.254 2.672 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCO[C@H]1C1CC1)CC2 ZINC000353262062 283199391 /nfs/dbraw/zinc/19/93/91/283199391.db2.gz HHXRKURGVUYNSI-ZACQAIPSSA-N 0 3 268.360 2.703 20 30 CFEDHN N#Cc1cccc(C#N)c1N1CCC[C@@H](N2CCCCC2)C1 ZINC000370064748 283203224 /nfs/dbraw/zinc/20/32/24/283203224.db2.gz WTWWIERULNDGPM-QGZVFWFLSA-N 0 3 294.402 2.885 20 30 CFEDHN N#Cc1ccnc(N2CC[C@H](N3CCCCC3)C2)c1Cl ZINC000236029603 283223490 /nfs/dbraw/zinc/22/34/90/283223490.db2.gz JBUFQDOITJMIJL-ZDUSSCGKSA-N 0 3 290.798 2.671 20 30 CFEDHN N#Cc1cnc(N2CCC[C@@H]2CN2CCCCC2)c(F)c1 ZINC000413254918 283231285 /nfs/dbraw/zinc/23/12/85/283231285.db2.gz ZWUZQHICQJEMDE-CQSZACIVSA-N 0 3 288.370 2.547 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000449478501 283246890 /nfs/dbraw/zinc/24/68/90/283246890.db2.gz YKMKRLRHPHZJNS-KFWWJZLASA-N 0 3 276.405 2.745 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000294612582 199106916 /nfs/dbraw/zinc/10/69/16/199106916.db2.gz DPGZCARQKPFKNU-OAHLLOKOSA-N 0 3 274.408 2.926 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000294724337 199152804 /nfs/dbraw/zinc/15/28/04/199152804.db2.gz VUBZGOUPHIOMHY-INIZCTEOSA-N 0 3 290.382 2.642 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1nc(C)sc1C ZINC000678775434 540479608 /nfs/dbraw/zinc/47/96/08/540479608.db2.gz RYIVILFAHJLQAF-BXKDBHETSA-N 0 3 254.399 2.595 20 30 CFEDHN CC(C)(CO)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000589316951 540587360 /nfs/dbraw/zinc/58/73/60/540587360.db2.gz SVQUNVNFSOJSDB-UHFFFAOYSA-N 0 3 286.297 2.685 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943870 540624387 /nfs/dbraw/zinc/62/43/87/540624387.db2.gz YBKCGJXXBGOTMZ-NWDGAFQWSA-N 0 3 277.330 2.978 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCCCC1 ZINC000052867564 540644664 /nfs/dbraw/zinc/64/46/64/540644664.db2.gz SNEWDBBCCJONPC-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC000298246260 200370398 /nfs/dbraw/zinc/37/03/98/200370398.db2.gz MMVRKSKKUJACRU-OAHLLOKOSA-N 0 3 260.381 2.541 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000574078058 334990258 /nfs/dbraw/zinc/99/02/58/334990258.db2.gz MYNSMPUJLXVNQX-OAHLLOKOSA-N 0 3 289.423 2.591 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1ccsc1 ZINC000298313687 200391827 /nfs/dbraw/zinc/39/18/27/200391827.db2.gz PUKQFRABMGHDOV-ZDUSSCGKSA-N 0 3 272.377 2.730 20 30 CFEDHN N#Cc1ccc(CNCCN2CCc3ccccc3C2)s1 ZINC000176944421 189015595 /nfs/dbraw/zinc/01/55/95/189015595.db2.gz QZZKYAABPXTSQU-UHFFFAOYSA-N 0 3 297.427 2.768 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)s2)CCCC[C@H]1O ZINC000176981847 189018742 /nfs/dbraw/zinc/01/87/42/189018742.db2.gz VWZNSFBWBVVEEU-ZIAGYGMSSA-N 0 3 264.394 2.651 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000177200511 189036280 /nfs/dbraw/zinc/03/62/80/189036280.db2.gz TWLQPDNJRQBDGC-CVEARBPZSA-N 0 3 298.430 2.640 20 30 CFEDHN CC(C)CO[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000177419043 189049654 /nfs/dbraw/zinc/04/96/54/189049654.db2.gz RBHXBASXTUXDDV-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN CCN(CC)C[C@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000347401938 540716988 /nfs/dbraw/zinc/71/69/88/540716988.db2.gz DTPMEFPVZKBNJV-LBPRGKRZSA-N 0 3 273.380 2.903 20 30 CFEDHN CCN(CCCOc1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000178313953 189106209 /nfs/dbraw/zinc/10/62/09/189106209.db2.gz APALSHOFCGTZRX-UHFFFAOYSA-N 0 3 298.390 2.583 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(C)(C)C1)C(C)C ZINC000683977392 540793049 /nfs/dbraw/zinc/79/30/49/540793049.db2.gz QGUSFKHRDLJKSE-OAHLLOKOSA-N 0 3 293.455 2.736 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000684907641 540888861 /nfs/dbraw/zinc/88/88/61/540888861.db2.gz MWKOJDINIVPDPU-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000180038430 189234335 /nfs/dbraw/zinc/23/43/35/189234335.db2.gz BNIAIFLHCKXMDF-MRXNPFEDSA-N 0 3 272.392 2.810 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000301511959 201040000 /nfs/dbraw/zinc/04/00/00/201040000.db2.gz ITEYMGZBESFKRU-NSHDSACASA-N 0 3 278.787 2.893 20 30 CFEDHN C=CCC[C@H](NCCN1CCC(OC)CC1)c1ccco1 ZINC000671750275 541075071 /nfs/dbraw/zinc/07/50/71/541075071.db2.gz XMQPXSAJXFKNRR-INIZCTEOSA-N 0 3 292.423 2.987 20 30 CFEDHN CC1([C@H]2CCCN(Cc3ccccc3C#N)C2)OCCO1 ZINC000183850647 189369079 /nfs/dbraw/zinc/36/90/79/189369079.db2.gz HFOFEJHNIIFMLE-INIZCTEOSA-N 0 3 286.375 2.533 20 30 CFEDHN Cc1cc(C#N)cnc1NCC1CN(Cc2ccccc2)C1 ZINC000716189944 781947105 /nfs/dbraw/zinc/94/71/05/781947105.db2.gz UGRXWQVLLFRJGE-UHFFFAOYSA-N 0 3 292.386 2.806 20 30 CFEDHN Cc1cccc(CN(CCN(C)C)c2cccc(C#N)n2)c1 ZINC000301807837 201210515 /nfs/dbraw/zinc/21/05/15/201210515.db2.gz AQKFDRAMYLKPIP-UHFFFAOYSA-N 0 3 294.402 2.830 20 30 CFEDHN Cc1cnn(CCN(C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425531803 239093374 /nfs/dbraw/zinc/09/33/74/239093374.db2.gz ICHLATBRXFYFLH-CQSZACIVSA-N 0 3 268.364 2.756 20 30 CFEDHN CCc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1 ZINC000431549700 383681240 /nfs/dbraw/zinc/68/12/40/383681240.db2.gz INLGVBZFSIWJGQ-GFCCVEGCSA-N 0 3 258.365 2.802 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCCN(C)C1 ZINC000302078580 201333289 /nfs/dbraw/zinc/33/32/89/201333289.db2.gz BAZNISPWKGLXRT-CQSZACIVSA-N 0 3 271.364 2.515 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NCC(C)(C)CN(C)C ZINC000302100230 201341146 /nfs/dbraw/zinc/34/11/46/201341146.db2.gz LBGZTBRHUKAHQN-UHFFFAOYSA-N 0 3 273.380 2.761 20 30 CFEDHN CCCNC(=O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187201516 189461165 /nfs/dbraw/zinc/46/11/65/189461165.db2.gz PLDFVKNZLFEGGF-CQSZACIVSA-N 0 3 299.418 2.857 20 30 CFEDHN C=CCCn1cc(CNC23CC4CC(CC(C4)C2)C3)nn1 ZINC000667924929 541344096 /nfs/dbraw/zinc/34/40/96/541344096.db2.gz FLRLVZWZXZMAOR-UHFFFAOYSA-N 0 3 286.423 2.913 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCC2(N(C)C)CCC2)c1 ZINC000275447677 193040843 /nfs/dbraw/zinc/04/08/43/193040843.db2.gz LAQVPIIJVOHWAI-UHFFFAOYSA-N 0 3 271.364 2.657 20 30 CFEDHN Cc1cc(CNCc2ccc3c(c2)OCO3)ccc1C#N ZINC000443973633 241100312 /nfs/dbraw/zinc/10/03/12/241100312.db2.gz PLWFGANEGCZTPD-UHFFFAOYSA-N 0 3 280.327 2.885 20 30 CFEDHN Cc1cc(CNC[C@@H](O)CCc2ccccc2)ccc1C#N ZINC000444000575 241106269 /nfs/dbraw/zinc/10/62/69/241106269.db2.gz HORSZYNBHWLRPE-IBGZPJMESA-N 0 3 294.398 2.950 20 30 CFEDHN CC(C)[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000444764024 241187334 /nfs/dbraw/zinc/18/73/34/241187334.db2.gz ADPDAWHEGSIWMI-KRWDZBQOSA-N 0 3 299.418 2.542 20 30 CFEDHN CC(C)c1ccc2ncc(C#N)c(NCCN(C)C)c2c1 ZINC000447687332 241399378 /nfs/dbraw/zinc/39/93/78/241399378.db2.gz IDPDTJOOYLDHDX-UHFFFAOYSA-N 0 3 282.391 2.625 20 30 CFEDHN CO[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C12CCC2 ZINC000449632513 242081199 /nfs/dbraw/zinc/08/11/99/242081199.db2.gz MXMFCIIEWDSOEB-HOTGVXAUSA-N 0 3 270.376 2.948 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)nc2)CC1 ZINC000161351667 541599091 /nfs/dbraw/zinc/59/90/91/541599091.db2.gz XXJTWLSNAZFWIR-UHFFFAOYSA-N 0 3 288.395 2.552 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC12CCC2)C(C)C ZINC000675329856 541642308 /nfs/dbraw/zinc/64/23/08/541642308.db2.gz FRRIAJPVFSEXLD-HZPDHXFCSA-N 0 3 290.451 2.991 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000453098633 243399589 /nfs/dbraw/zinc/39/95/89/243399589.db2.gz JSDGYCKQWKTHEX-CABCVRRESA-N 0 3 274.339 2.745 20 30 CFEDHN CC[C@H](CC#N)NCCCOCCc1ccccc1 ZINC000574288777 335007241 /nfs/dbraw/zinc/00/72/41/335007241.db2.gz UAJZAUJULXUIKX-MRXNPFEDSA-N 0 3 260.381 2.918 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000276072357 193205389 /nfs/dbraw/zinc/20/53/89/193205389.db2.gz AANOITLXADLHSO-CHWSQXEVSA-N 0 3 278.371 2.899 20 30 CFEDHN C=CCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000276089977 193211009 /nfs/dbraw/zinc/21/10/09/193211009.db2.gz MJDYKRPKEDKAGJ-HZPDHXFCSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CCCN(C)Cc1cc(C(=O)OC)sc1C ZINC000276341347 193293803 /nfs/dbraw/zinc/29/38/03/193293803.db2.gz CLJDQIVCBAMSAQ-UHFFFAOYSA-N 0 3 253.367 2.851 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000276372460 193304695 /nfs/dbraw/zinc/30/46/95/193304695.db2.gz HADSAWAANHCQDU-DZGCQCFKSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCCN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000276375857 193305864 /nfs/dbraw/zinc/30/58/64/193305864.db2.gz HKFYKBMQFHWFEZ-UHFFFAOYSA-N 0 3 280.375 2.967 20 30 CFEDHN COCC#CCN1CCC[C@H]1CCc1ccccc1 ZINC000677133488 541826375 /nfs/dbraw/zinc/82/63/75/541826375.db2.gz YUTDAODFZCMFDJ-KRWDZBQOSA-N 0 3 257.377 2.733 20 30 CFEDHN C[C@@H](CCCc1cccnc1)NCc1nc(C#N)cs1 ZINC000459646547 245257266 /nfs/dbraw/zinc/25/72/66/245257266.db2.gz IVODBDDDCLEKCY-LBPRGKRZSA-N 0 3 286.404 2.911 20 30 CFEDHN COc1cccc2c1C[C@@H](NCc1ccc(C#N)s1)C2 ZINC000459711788 245283021 /nfs/dbraw/zinc/28/30/21/245283021.db2.gz VUTPFHYVEPNMGL-LBPRGKRZSA-N 0 3 284.384 2.885 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCCOc1ccccc1C ZINC000677477355 541864470 /nfs/dbraw/zinc/86/44/70/541864470.db2.gz DHNZWPSFZHTHQG-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000176507780 261292661 /nfs/dbraw/zinc/29/26/61/261292661.db2.gz IDJSGZNLLXRBQG-AWEZNQCLSA-N 0 3 279.428 2.515 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccccc1 ZINC000035111751 372540049 /nfs/dbraw/zinc/54/00/49/372540049.db2.gz MCHORFHERKOQIQ-QGZVFWFLSA-N 0 3 281.355 2.522 20 30 CFEDHN Cc1cncn1CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000528964998 383684260 /nfs/dbraw/zinc/68/42/60/383684260.db2.gz ADUHUILPZSSQCL-NSHDSACASA-N 0 3 288.376 2.648 20 30 CFEDHN CC(C)(CNC(=O)c1cccc(C#N)c1)N1CCCCC1 ZINC000041298104 372829516 /nfs/dbraw/zinc/82/95/16/372829516.db2.gz WKRHJHPBHKVTRH-UHFFFAOYSA-N 0 3 285.391 2.553 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 ZINC000042247618 372896484 /nfs/dbraw/zinc/89/64/84/372896484.db2.gz XIYHHKXRTKTWCR-KFWWJZLASA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000042269613 372897821 /nfs/dbraw/zinc/89/78/21/372897821.db2.gz SQCXKNDKGBCOJU-WDEREUQCSA-N 0 3 266.410 2.706 20 30 CFEDHN COc1cc2c(cc1OC)CN(CCCCC#N)CC2 ZINC000042312821 372906803 /nfs/dbraw/zinc/90/68/03/372906803.db2.gz BENVGSRBQWJGAF-UHFFFAOYSA-N 0 3 274.364 2.756 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCN(C3CCCC3)CC2)c1 ZINC000045768548 373033091 /nfs/dbraw/zinc/03/30/91/373033091.db2.gz AKQHUOSYJYSXBW-UHFFFAOYSA-N 0 3 287.382 2.758 20 30 CFEDHN CCOc1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000046439790 373055072 /nfs/dbraw/zinc/05/50/72/373055072.db2.gz ZTHSWYQEOJGCRM-ZDUSSCGKSA-N 0 3 266.300 2.970 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)CC)C(C)C ZINC000047633748 373110612 /nfs/dbraw/zinc/11/06/12/373110612.db2.gz RMXKZNGROCHASX-LSDHHAIUSA-N 0 3 266.429 2.847 20 30 CFEDHN N#CCCCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000048391344 373175234 /nfs/dbraw/zinc/17/52/34/373175234.db2.gz UIQXYRCNTAMOOW-AWEZNQCLSA-N 0 3 271.364 2.641 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)C[C@H]1CCCCO1 ZINC000048947899 373235603 /nfs/dbraw/zinc/23/56/03/373235603.db2.gz QYCAFZADHXBPRI-QGZVFWFLSA-N 0 3 288.391 2.828 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCC(C)CC1 ZINC000049067226 373259843 /nfs/dbraw/zinc/25/98/43/373259843.db2.gz LBUOMMRNQXTURV-XUJLQICISA-N 0 3 279.428 2.551 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@H](N3CCCCC3)C2)c1 ZINC000062979966 373775814 /nfs/dbraw/zinc/77/58/14/373775814.db2.gz GXFRBYQIQRBNCK-INIZCTEOSA-N 0 3 287.382 2.758 20 30 CFEDHN N#Cc1ccc(Cl)cc1N1CCN(CC2CC2)CC1 ZINC000062789985 373765538 /nfs/dbraw/zinc/76/55/38/373765538.db2.gz YDRQMWRCEKPCJP-UHFFFAOYSA-N 0 3 275.783 2.744 20 30 CFEDHN C#CCN1CCC(C(=O)NC2CCC(CCC)CC2)CC1 ZINC000068118005 374022034 /nfs/dbraw/zinc/02/20/34/374022034.db2.gz JODVCEZXAGMMCC-UHFFFAOYSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CC[C@H](CC)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289521627 197387509 /nfs/dbraw/zinc/38/75/09/197387509.db2.gz PVFCMMHESBBUJU-KKUMJFAQSA-N 0 3 287.359 2.762 20 30 CFEDHN CC(C)N1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000069224711 374051593 /nfs/dbraw/zinc/05/15/93/374051593.db2.gz KKHLTBGQEZRIRU-UHFFFAOYSA-N 0 3 286.379 2.506 20 30 CFEDHN C=CC[C@H](CC)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289521631 197387185 /nfs/dbraw/zinc/38/71/85/197387185.db2.gz PVFCMMHESBBUJU-RRFJBIMHSA-N 0 3 287.359 2.762 20 30 CFEDHN CCCCO[C@H]1C[C@@H](N(C)CC#CCOC)C1(C)C ZINC000677819274 541910333 /nfs/dbraw/zinc/91/03/33/541910333.db2.gz WBBXOGHNPUXMCJ-CABCVRRESA-N 0 3 267.413 2.552 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)/C=C\CN(C)C ZINC000491905698 246116983 /nfs/dbraw/zinc/11/69/83/246116983.db2.gz NOVRYWUFIFXJFJ-WAYWQWQTSA-N 0 3 299.418 2.661 20 30 CFEDHN C[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N1CCCCCC1 ZINC000074435908 374420225 /nfs/dbraw/zinc/42/02/25/374420225.db2.gz XREVHMDPGXRAEK-OAHLLOKOSA-N 0 3 299.418 2.781 20 30 CFEDHN CN(C)[C@H](CC(=O)N(CCC#N)CC1CC1)c1ccccc1 ZINC000431844936 383700393 /nfs/dbraw/zinc/70/03/93/383700393.db2.gz NACKIONLSZSJOW-QGZVFWFLSA-N 0 3 299.418 2.832 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@](C)(O)c1ccccc1 ZINC000075826913 374506883 /nfs/dbraw/zinc/50/68/83/374506883.db2.gz JVIWVJHSBOURIP-SFHVURJKSA-N 0 3 280.371 2.898 20 30 CFEDHN C=CCCCN1CCCN(c2nc(CC)ns2)CC1 ZINC000076185095 374540206 /nfs/dbraw/zinc/54/02/06/374540206.db2.gz FEEYOSXBCIWCEH-UHFFFAOYSA-N 0 3 280.441 2.579 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000076737281 374556017 /nfs/dbraw/zinc/55/60/17/374556017.db2.gz OWQXDXQVOVIUGQ-ZDUSSCGKSA-N 0 3 278.400 2.689 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000076738123 374556162 /nfs/dbraw/zinc/55/61/62/374556162.db2.gz DCEOTXRTMKELEN-AWEZNQCLSA-N 0 3 272.392 2.862 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1cccc(Cl)c1 ZINC000076736145 374556672 /nfs/dbraw/zinc/55/66/72/374556672.db2.gz LYJRZJPBVCXFQE-UHFFFAOYSA-N 0 3 280.799 2.854 20 30 CFEDHN C=CCCCN(C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000076734378 374557400 /nfs/dbraw/zinc/55/74/00/374557400.db2.gz XARAWMJTTNMWOZ-UHFFFAOYSA-N 0 3 286.419 2.732 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000076734112 374557609 /nfs/dbraw/zinc/55/76/09/374557609.db2.gz AANUKHPFFFZHCG-ZDUSSCGKSA-N 0 3 276.380 2.920 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)C1CCCCC1 ZINC000076908376 374559797 /nfs/dbraw/zinc/55/97/97/374559797.db2.gz SAWXEXDJXGLKMY-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000078538762 374569580 /nfs/dbraw/zinc/56/95/80/374569580.db2.gz HKIWKXODXMLNJF-DZKIICNBSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000078538766 374569716 /nfs/dbraw/zinc/56/97/16/374569716.db2.gz HKIWKXODXMLNJF-FMKPAKJESA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCN(CC=C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431848221 383700942 /nfs/dbraw/zinc/70/09/42/383700942.db2.gz NSWDOIORHCYROG-INIZCTEOSA-N 0 3 272.392 2.880 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000087710226 374827502 /nfs/dbraw/zinc/82/75/02/374827502.db2.gz XLQXTUGDZXYGTK-HOTGVXAUSA-N 0 3 270.376 2.996 20 30 CFEDHN O[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1cccc(Cl)c1)C2 ZINC000640078876 383704931 /nfs/dbraw/zinc/70/49/31/383704931.db2.gz WJVMNWOVDLUUFO-VNQPRFMTSA-N 0 3 275.779 2.537 20 30 CFEDHN C=CCOc1ccc(CN(CCCO)C2CC2)cc1 ZINC000678264237 541989901 /nfs/dbraw/zinc/98/99/01/541989901.db2.gz RHTDWJLAPNAPGA-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN CC[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000091919327 375071883 /nfs/dbraw/zinc/07/18/83/375071883.db2.gz ODBPSLMITJANOY-CYBMUJFWSA-N 0 3 268.364 2.828 20 30 CFEDHN CO[C@@H]1CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000091772448 375062505 /nfs/dbraw/zinc/06/25/05/375062505.db2.gz FQBCGSUHWJLZAW-QGZVFWFLSA-N 0 3 288.391 2.980 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1cc(Cl)ccc1C#N ZINC000092631032 375133328 /nfs/dbraw/zinc/13/33/28/375133328.db2.gz ALXMPTSFWGCWIP-ZDUSSCGKSA-N 0 3 263.772 2.742 20 30 CFEDHN C=CCc1cc(CN(C)CCCOC)cc(OC)c1O ZINC000092537104 375119020 /nfs/dbraw/zinc/11/90/20/375119020.db2.gz BZISOBMVNUVNLW-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN COc1ccc(COCCNCc2ccc(C#N)cc2)cc1 ZINC000093112725 375189517 /nfs/dbraw/zinc/18/95/17/375189517.db2.gz AUAMESMCSQEISE-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN CCCN(Cc1ccc(C#N)o1)C[C@@H]1CCCCO1 ZINC000093132385 375189593 /nfs/dbraw/zinc/18/95/93/375189593.db2.gz ZYXVICUOOJUCNN-AWEZNQCLSA-N 0 3 262.353 2.932 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](C)c2nccs2)CC1 ZINC000093405889 375230153 /nfs/dbraw/zinc/23/01/53/375230153.db2.gz RLQMVDFPVSIMLQ-LBPRGKRZSA-N 0 3 265.426 2.834 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](C)c2nccs2)CC1 ZINC000093405890 375231546 /nfs/dbraw/zinc/23/15/46/375231546.db2.gz RLQMVDFPVSIMLQ-GFCCVEGCSA-N 0 3 265.426 2.834 20 30 CFEDHN C=C(C)COCCNCc1cn(C)nc1-c1cccs1 ZINC000093968115 375333943 /nfs/dbraw/zinc/33/39/43/375333943.db2.gz YHRBGZGMDOPQQE-UHFFFAOYSA-N 0 3 291.420 2.831 20 30 CFEDHN CN(C)CCSc1nc(C(F)(F)F)ccc1C#N ZINC000095020304 375403500 /nfs/dbraw/zinc/40/35/00/375403500.db2.gz RUDMYMUDWFXSDN-UHFFFAOYSA-N 0 3 275.299 2.626 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N(C)CCC1CCCCC1 ZINC000101565884 375640557 /nfs/dbraw/zinc/64/05/57/375640557.db2.gz HYBYFNCNECMQPH-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN C#CCN(C)CCCc1cc(-c2ccccc2)no1 ZINC000101559095 375641666 /nfs/dbraw/zinc/64/16/66/375641666.db2.gz MVSZRKOZYOXOCK-UHFFFAOYSA-N 0 3 254.333 2.839 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000103054079 375709782 /nfs/dbraw/zinc/70/97/82/375709782.db2.gz HTCDMPXTYZDSAP-IAGOWNOFSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000678716025 542060219 /nfs/dbraw/zinc/06/02/19/542060219.db2.gz KIAHMGONNIZADM-RRFJBIMHSA-N 0 3 253.386 2.611 20 30 CFEDHN CC[C@@H](C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111036627 375834314 /nfs/dbraw/zinc/83/43/14/375834314.db2.gz VFYUYQBXIFUPAG-GFCCVEGCSA-N 0 3 261.344 2.618 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000116955307 376217649 /nfs/dbraw/zinc/21/76/49/376217649.db2.gz KJJKIXKMGYLNSC-GOEBONIOSA-N 0 3 289.423 2.862 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000117345255 376237742 /nfs/dbraw/zinc/23/77/42/376237742.db2.gz SXQVVUNMPFZDJH-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000119331600 376395060 /nfs/dbraw/zinc/39/50/60/376395060.db2.gz WTIRYCWTMFQFMD-GHMZBOCLSA-N 0 3 265.353 2.938 20 30 CFEDHN C=C(C)CNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000119661002 376448209 /nfs/dbraw/zinc/44/82/09/376448209.db2.gz MLSYYSCIKNDCRG-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN CC(C)CO[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000119977510 376518347 /nfs/dbraw/zinc/51/83/47/376518347.db2.gz OYQUQPOHDHJYIA-QGZVFWFLSA-N 0 3 288.391 2.684 20 30 CFEDHN CCN(CC(=O)Nc1sccc1C#N)[C@H](C)C(C)C ZINC000120232504 376575693 /nfs/dbraw/zinc/57/56/93/376575693.db2.gz NVUMJMJGEQHLIO-LLVKDONJSA-N 0 3 279.409 2.925 20 30 CFEDHN N#Cc1cnc(NC[C@H](c2cccs2)N2CCCC2)cn1 ZINC000120576787 376644895 /nfs/dbraw/zinc/64/48/95/376644895.db2.gz BGFDBHLENKFZPW-CYBMUJFWSA-N 0 3 299.403 2.659 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000121199767 376779550 /nfs/dbraw/zinc/77/95/50/376779550.db2.gz ASDOABKSKAKXTG-KBPBESRZSA-N 0 3 256.349 2.799 20 30 CFEDHN C=CCN(C[C@@H](O)C(F)(F)F)CC1CCCCC1 ZINC000121316380 376804157 /nfs/dbraw/zinc/80/41/57/376804157.db2.gz NVIOMQZLMZDEHP-GFCCVEGCSA-N 0 3 265.319 2.978 20 30 CFEDHN COC[C@H](NCc1cccc(OCCCC#N)c1)C1CC1 ZINC000121320601 376806519 /nfs/dbraw/zinc/80/65/19/376806519.db2.gz CWSHFXOOGBPFJL-KRWDZBQOSA-N 0 3 288.391 2.884 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000121479792 376841777 /nfs/dbraw/zinc/84/17/77/376841777.db2.gz YVKNMFYFSVUTPU-OAHLLOKOSA-N 0 3 277.408 2.842 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCO1 ZINC000122582235 376934229 /nfs/dbraw/zinc/93/42/29/376934229.db2.gz OHAZPPKDVSZQAF-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000124100984 377016341 /nfs/dbraw/zinc/01/63/41/377016341.db2.gz HAZFNTHUZVKARY-INIZCTEOSA-N 0 3 294.826 2.789 20 30 CFEDHN C=C[C@@H](CC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000124264660 377032666 /nfs/dbraw/zinc/03/26/66/377032666.db2.gz TVXKRHQFAACIFW-AWEZNQCLSA-N 0 3 272.392 2.557 20 30 CFEDHN C=C[C@@H](CC(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000124667940 377074426 /nfs/dbraw/zinc/07/44/26/377074426.db2.gz ISMPWDFNTBSFDO-HNNXBMFYSA-N 0 3 286.419 2.947 20 30 CFEDHN CC1CCN(CCNc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000125868241 377199367 /nfs/dbraw/zinc/19/93/67/377199367.db2.gz SJNCDIDOSATTOB-UHFFFAOYSA-N 0 3 288.351 2.610 20 30 CFEDHN C=C[C@@H](CC(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000128814171 377357696 /nfs/dbraw/zinc/35/76/96/377357696.db2.gz MNHQOSWZHUDGKW-HNNXBMFYSA-N 0 3 286.419 2.947 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(Cl)nc1 ZINC000130006060 377499691 /nfs/dbraw/zinc/49/96/91/377499691.db2.gz WOSYVHHJBACBAJ-SNVBAGLBSA-N 0 3 254.786 2.752 20 30 CFEDHN C[C@H](N[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000130318711 377536524 /nfs/dbraw/zinc/53/65/24/377536524.db2.gz SOFJTRHWUARTHM-BBRMVZONSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@H](C)O)cc1Cl ZINC000130656752 377590388 /nfs/dbraw/zinc/59/03/88/377590388.db2.gz BGPNDMUWZLOPKE-NSHDSACASA-N 0 3 269.772 2.717 20 30 CFEDHN N#CCSCCCN1CCc2ccsc2C1 ZINC000132905220 377887012 /nfs/dbraw/zinc/88/70/12/377887012.db2.gz DFNPQZMAFIHIJJ-UHFFFAOYSA-N 0 3 252.408 2.753 20 30 CFEDHN CCOC(=O)[C@H]1CC[C@H](N[C@H](CC)CC#N)C[C@H]1C ZINC000133195629 377913440 /nfs/dbraw/zinc/91/34/40/377913440.db2.gz QYPZVCLICVWPEN-MQYQWHSLSA-N 0 3 266.385 2.636 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@@H](CO)C(C)(C)C ZINC000134377454 378008182 /nfs/dbraw/zinc/00/81/82/378008182.db2.gz FVTUMRSBJHJBDJ-HNNXBMFYSA-N 0 3 263.356 2.516 20 30 CFEDHN C[C@H]1SCCN(CCOc2ccccc2C#N)[C@@H]1C ZINC000134774209 378048615 /nfs/dbraw/zinc/04/86/15/378048615.db2.gz JKLCTQZTCBNEJR-CHWSQXEVSA-N 0 3 276.405 2.763 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2COc3ccccc3O2)s1 ZINC000135668471 378154762 /nfs/dbraw/zinc/15/47/62/378154762.db2.gz QSVNYEJIPTXDPX-NSHDSACASA-N 0 3 286.356 2.549 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)o2)CN1Cc1ccccc1 ZINC000151321514 378317309 /nfs/dbraw/zinc/31/73/09/378317309.db2.gz JJIDAFDBOIGOOY-GDBMZVCRSA-N 0 3 295.386 2.904 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)CC1(O)CCCC1 ZINC000152033017 378386627 /nfs/dbraw/zinc/38/66/27/378386627.db2.gz MZYGKEUTGPWMAN-UHFFFAOYSA-N 0 3 277.795 2.928 20 30 CFEDHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1CC(=O)NCC1CC1 ZINC000329114751 378449049 /nfs/dbraw/zinc/44/90/49/378449049.db2.gz HWBSKUGJPHVORQ-VYDXJSESSA-N 0 3 294.439 2.759 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329296276 378451744 /nfs/dbraw/zinc/45/17/44/378451744.db2.gz SUHXHAVZRHFTTM-UONOGXRCSA-N 0 3 295.427 2.964 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)C1 ZINC000328826388 378428649 /nfs/dbraw/zinc/42/86/49/378428649.db2.gz JHMYBXPROSEODM-KWCYVHTRSA-N 0 3 285.395 2.554 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)[C@H]1CCCC(=O)N1 ZINC000328819421 378429560 /nfs/dbraw/zinc/42/95/60/378429560.db2.gz QJHHWLFOMQTPKK-QWHCGFSZSA-N 0 3 281.400 2.716 20 30 CFEDHN CCC(CC)CN(CC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000153896316 378521296 /nfs/dbraw/zinc/52/12/96/378521296.db2.gz VMVDDVNREJKUPH-MRXNPFEDSA-N 0 3 287.407 2.843 20 30 CFEDHN CC1CCN(CCN(CCC#N)CC(C)(C)C)CC1 ZINC000153895170 378521988 /nfs/dbraw/zinc/52/19/88/378521988.db2.gz LIVOEUNQWPOXNJ-UHFFFAOYSA-N 0 3 265.445 2.980 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H]2CCC[C@@H]2C1 ZINC000153268668 378484947 /nfs/dbraw/zinc/48/49/47/378484947.db2.gz PKPSDIUZRXUVRW-RBSFLKMASA-N 0 3 264.413 2.531 20 30 CFEDHN CC1(C)CC[C@H]([NH+]=C([O-])NC[C@H]2CCc3nccn3C2)C1 ZINC000329897369 378511420 /nfs/dbraw/zinc/51/14/20/378511420.db2.gz CVKUXUHMZLRPMZ-OLZOCXBDSA-N 0 3 290.411 2.528 20 30 CFEDHN N#Cc1ccc(CNC2CCN(c3cccs3)CC2)o1 ZINC000154217740 378549536 /nfs/dbraw/zinc/54/95/36/378549536.db2.gz PQDTUAVAYGYMCI-UHFFFAOYSA-N 0 3 287.388 2.971 20 30 CFEDHN CCN1CCC[C@@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC000330507433 378573026 /nfs/dbraw/zinc/57/30/26/378573026.db2.gz MXFMUQQBJWEXMK-CQSZACIVSA-N 0 3 291.395 2.658 20 30 CFEDHN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C(C)(C)C1 ZINC000331009161 378614536 /nfs/dbraw/zinc/61/45/36/378614536.db2.gz REWRAGFEQZFAQV-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN CCN1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000331048561 378620240 /nfs/dbraw/zinc/62/02/40/378620240.db2.gz HGMZJSNVWOOERS-MRXNPFEDSA-N 0 3 299.418 2.702 20 30 CFEDHN C=CC1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000157697828 378657248 /nfs/dbraw/zinc/65/72/48/378657248.db2.gz NEBDWYWMSNOFIW-BBRMVZONSA-N 0 3 272.392 2.747 20 30 CFEDHN COc1ccc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1C#N ZINC000331286012 378662571 /nfs/dbraw/zinc/66/25/71/378662571.db2.gz MAHVLJFGWKVORY-HEHGZKQESA-N 0 3 288.391 2.548 20 30 CFEDHN CC[C@@H](C)NC(=O)CCNC1CC(C#N)(c2ccccc2)C1 ZINC000158476734 378670017 /nfs/dbraw/zinc/67/00/17/378670017.db2.gz CLPLKQUWAUIQPB-MXWWQKGMSA-N 0 3 299.418 2.505 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@]3(CCOC3)C2)c1 ZINC000156825428 378645975 /nfs/dbraw/zinc/64/59/75/378645975.db2.gz YTGYHMBCKBPJNR-INIZCTEOSA-N 0 3 275.779 2.804 20 30 CFEDHN COC(=O)C1(N(C)CCCC(C)(C)C#N)CCCC1 ZINC000159430676 378708905 /nfs/dbraw/zinc/70/89/05/378708905.db2.gz RSVZXEIOMYDPQM-UHFFFAOYSA-N 0 3 266.385 2.734 20 30 CFEDHN Cc1nc([C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)n[nH]1 ZINC000332381820 378755496 /nfs/dbraw/zinc/75/54/96/378755496.db2.gz YULVLLALTUIITR-CQSZACIVSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000332381820 378755507 /nfs/dbraw/zinc/75/55/07/378755507.db2.gz YULVLLALTUIITR-CQSZACIVSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)[nH]1 ZINC000332381820 378755516 /nfs/dbraw/zinc/75/55/16/378755516.db2.gz YULVLLALTUIITR-CQSZACIVSA-N 0 3 299.353 2.504 20 30 CFEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000332057304 378722175 /nfs/dbraw/zinc/72/21/75/378722175.db2.gz ZRXOLRDMPZQPLE-HUUCEWRRSA-N 0 3 299.418 2.542 20 30 CFEDHN C[C@@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332177626 378732920 /nfs/dbraw/zinc/73/29/20/378732920.db2.gz MMJNAHMRQOWSSE-BXUZGUMPSA-N 0 3 282.347 2.886 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160440623 378771786 /nfs/dbraw/zinc/77/17/86/378771786.db2.gz ZVEILANAHKRBLB-SJORKVTESA-N 0 3 270.376 2.685 20 30 CFEDHN CCn1cnnc1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000161291497 378835515 /nfs/dbraw/zinc/83/55/15/378835515.db2.gz FGOMRPUWYOPYBW-INIZCTEOSA-N 0 3 295.390 2.549 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162135096 378895673 /nfs/dbraw/zinc/89/56/73/378895673.db2.gz RDGHXAWJSLPBKC-BXKDBHETSA-N 0 3 297.196 2.530 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc2n(n1)CCC2 ZINC000333935219 378878821 /nfs/dbraw/zinc/87/88/21/378878821.db2.gz JGXJPGPAFCRXPP-AGIUHOORSA-N 0 3 258.369 2.562 20 30 CFEDHN Cn1nccc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000334200768 378917029 /nfs/dbraw/zinc/91/70/29/378917029.db2.gz NKXYXORCZXTYJL-INIZCTEOSA-N 0 3 280.375 2.671 20 30 CFEDHN N#Cc1cccc(C2(NCCO[C@@H]3CCCCO3)CC2)c1 ZINC000278625969 194073562 /nfs/dbraw/zinc/07/35/62/194073562.db2.gz GCRHVLMYSIDPCU-MRXNPFEDSA-N 0 3 286.375 2.680 20 30 CFEDHN Cc1cc(CN[C@H]2CCCc3nn(C)cc32)ccc1C#N ZINC000334298193 379053428 /nfs/dbraw/zinc/05/34/28/379053428.db2.gz BGNDSSCJZMRBOO-INIZCTEOSA-N 0 3 280.375 2.767 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@@H]2C)CC1 ZINC000335315377 379071578 /nfs/dbraw/zinc/07/15/78/379071578.db2.gz XQYQDKBGPQSFDB-AWEZNQCLSA-N 0 3 279.428 2.611 20 30 CFEDHN CC(C)N1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000335321564 379085690 /nfs/dbraw/zinc/08/56/90/379085690.db2.gz UHTPTHPJGHGNCO-UHFFFAOYSA-N 0 3 263.410 2.536 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000278710352 194115053 /nfs/dbraw/zinc/11/50/53/194115053.db2.gz LNWKJGAODUEOOO-RRFJBIMHSA-N 0 3 258.365 2.758 20 30 CFEDHN CC(C)(C#N)CNC1CCN(Cc2ccccc2)CC1 ZINC000168938793 379100754 /nfs/dbraw/zinc/10/07/54/379100754.db2.gz BVQIYUSGAJBTIZ-UHFFFAOYSA-N 0 3 271.408 2.790 20 30 CFEDHN CCC(=O)N1CC[C@@H](N[C@H](CC)c2ccc(C#N)cc2)C1 ZINC000278735571 194129434 /nfs/dbraw/zinc/12/94/34/194129434.db2.gz NAZSNOPHAIUTCN-HZPDHXFCSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@H](N[C@H]1CCc2c[nH]nc2C1)c1ccc(C#N)cc1F ZINC000334343588 379127901 /nfs/dbraw/zinc/12/79/01/379127901.db2.gz RFJAGPPJUGNWMB-GWCFXTLKSA-N 0 3 284.338 2.629 20 30 CFEDHN N#CC1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000170644082 379132212 /nfs/dbraw/zinc/13/22/12/379132212.db2.gz DLRCAWVWXUSNOR-UHFFFAOYSA-N 0 3 266.348 2.608 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000334347207 379133105 /nfs/dbraw/zinc/13/31/05/379133105.db2.gz RAMSCVFAOCYBPE-OAHLLOKOSA-N 0 3 288.366 2.946 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc2ccccc21 ZINC000335366777 379170920 /nfs/dbraw/zinc/17/09/20/379170920.db2.gz MPXATKQMVXCNIU-LBPRGKRZSA-N 0 3 252.317 2.958 20 30 CFEDHN C=C(C)[C@@H](NC[C@H](O)CCOCC)c1ccc(F)c(F)c1 ZINC000278830629 194173761 /nfs/dbraw/zinc/17/37/61/194173761.db2.gz QFTWVDOBPCOKFB-CZUORRHYSA-N 0 3 299.361 2.959 20 30 CFEDHN C=C(C)[C@@H](NC[C@@H](O)CCOCC)c1ccc(F)c(F)c1 ZINC000278830630 194174337 /nfs/dbraw/zinc/17/43/37/194174337.db2.gz QFTWVDOBPCOKFB-XJKSGUPXSA-N 0 3 299.361 2.959 20 30 CFEDHN C=CCN(CCO[C@H]1CCCCO1)CCc1ccco1 ZINC000278877990 194194477 /nfs/dbraw/zinc/19/44/77/194194477.db2.gz SYIKFFZSURHKEP-INIZCTEOSA-N 0 3 279.380 2.853 20 30 CFEDHN C=CC[C@@H]1N(C(=O)C2CCN(C)CC2)CCCC1(C)C ZINC000335435713 379291177 /nfs/dbraw/zinc/29/11/77/379291177.db2.gz RBVJLJAFYUFBET-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)c(C)c2)CC1 ZINC000171640972 379360268 /nfs/dbraw/zinc/36/02/68/379360268.db2.gz DIZJHELZJZPAOZ-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)cc1F ZINC000334569458 379547596 /nfs/dbraw/zinc/54/75/96/379547596.db2.gz RDSKCIOXANVHSL-AWEZNQCLSA-N 0 3 282.318 2.660 20 30 CFEDHN Cn1cc(CN[C@@H]2CCCN(C)c3ccccc32)cc1C#N ZINC000334580375 379568777 /nfs/dbraw/zinc/56/87/77/379568777.db2.gz FXTKTVNTKXOMED-QGZVFWFLSA-N 0 3 294.402 2.958 20 30 CFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CCC1 ZINC000172899455 379665668 /nfs/dbraw/zinc/66/56/68/379665668.db2.gz WDGSMTRQMHMGBZ-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173435696 379739025 /nfs/dbraw/zinc/73/90/25/379739025.db2.gz QRAHTDDIGVKIOG-NSHDSACASA-N 0 3 264.350 2.612 20 30 CFEDHN C[C@H](NCCNC(=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000173867139 379789475 /nfs/dbraw/zinc/78/94/75/379789475.db2.gz NLWSVXHXQLDDHI-AWEZNQCLSA-N 0 3 293.370 2.639 20 30 CFEDHN C[C@@H]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715750 379773790 /nfs/dbraw/zinc/77/37/90/379773790.db2.gz SBKPJUTTXNEBNQ-OCCSQVGLSA-N 0 3 268.364 2.826 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000335724370 379786660 /nfs/dbraw/zinc/78/66/60/379786660.db2.gz IYCDCWKSAJGRJW-CABZTGNLSA-N 0 3 276.311 2.704 20 30 CFEDHN C=CCSCCNCc1ccc(OC)c(C#N)c1 ZINC000174352494 379869421 /nfs/dbraw/zinc/86/94/21/379869421.db2.gz XQHOLYAQDJOVMH-UHFFFAOYSA-N 0 3 262.378 2.576 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)ccc1C#N ZINC000335749599 379828231 /nfs/dbraw/zinc/82/82/31/379828231.db2.gz KEFAYMHTPFBCFJ-MRXNPFEDSA-N 0 3 280.375 2.969 20 30 CFEDHN COCc1cccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000174558254 379908420 /nfs/dbraw/zinc/90/84/20/379908420.db2.gz JJAXCZMDDOYQAG-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN CCc1cnc(CCNCc2ccc(C#N)cc2)s1 ZINC000174624543 379919627 /nfs/dbraw/zinc/91/96/27/379919627.db2.gz VAUKWBATDDVYJN-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN C[C@H]1CSC[C@H]1NCc1cccc(C#N)c1F ZINC000335824013 379950070 /nfs/dbraw/zinc/95/00/70/379950070.db2.gz KOQKFKQCEWWJEW-JOYOIKCWSA-N 0 3 250.342 2.538 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000335015172 379955690 /nfs/dbraw/zinc/95/56/90/379955690.db2.gz VSBWEHMOGAXBPP-BLLLJJGKSA-N 0 3 274.339 2.909 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](CO)c1ccccc1 ZINC000175048815 379984781 /nfs/dbraw/zinc/98/47/81/379984781.db2.gz MBASSXOHCLRFDJ-GOSISDBHSA-N 0 3 295.382 2.564 20 30 CFEDHN Cc1cccc2ncc(CN3CCC(CC#N)CC3)n21 ZINC000335860651 380010257 /nfs/dbraw/zinc/01/02/57/380010257.db2.gz TUICEHUUCWUFRB-UHFFFAOYSA-N 0 3 268.364 2.768 20 30 CFEDHN N#Cc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000335249408 380080202 /nfs/dbraw/zinc/08/02/02/380080202.db2.gz PTMADJSNXUIOSD-QZTJIDSGSA-N 0 3 278.355 2.866 20 30 CFEDHN C[C@H]1CC(C)(C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000335260404 380097850 /nfs/dbraw/zinc/09/78/50/380097850.db2.gz HRXQZLBPYMAHNE-LBPRGKRZSA-N 0 3 268.364 2.826 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2Cc3ccc(O)cc3C3(CC3)C2)C1 ZINC000336328969 380321688 /nfs/dbraw/zinc/32/16/88/380321688.db2.gz BHYRMUHMOLZEGT-GXTWGEPZSA-N 0 3 268.360 2.932 20 30 CFEDHN N#Cc1csc(CNCCc2cn3ccccc3n2)c1 ZINC000177684096 380367201 /nfs/dbraw/zinc/36/72/01/380367201.db2.gz DXZLNYUSVQDJFF-UHFFFAOYSA-N 0 3 282.372 2.600 20 30 CFEDHN CN(CCNCc1cc(C#N)cs1)c1ccccc1 ZINC000177683682 380367982 /nfs/dbraw/zinc/36/79/82/380367982.db2.gz QCPAFPVEYGACQZ-UHFFFAOYSA-N 0 3 271.389 2.846 20 30 CFEDHN CO[C@H](CNCc1cc(C#N)cs1)C(C)(C)C ZINC000177708310 380370595 /nfs/dbraw/zinc/37/05/95/380370595.db2.gz KKMQTQAVJHGNGK-GFCCVEGCSA-N 0 3 252.383 2.770 20 30 CFEDHN CN1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000336400646 380339466 /nfs/dbraw/zinc/33/94/66/380339466.db2.gz VPNDPTGXEXLFHT-UHFFFAOYSA-N 0 3 297.324 2.715 20 30 CFEDHN Cc1c(CN[C@@H]2CCCc3cc(C#N)ccc32)cnn1C ZINC000336441906 380348255 /nfs/dbraw/zinc/34/82/55/380348255.db2.gz XXSJKGGDSCQCBX-QGZVFWFLSA-N 0 3 280.375 2.767 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000336531976 380424821 /nfs/dbraw/zinc/42/48/21/380424821.db2.gz RMBRVJPWVQTNOT-HOCLYGCPSA-N 0 3 288.366 2.946 20 30 CFEDHN COCC#CCN1CCC(Cc2cccc(OC)c2)CC1 ZINC000680078549 542277020 /nfs/dbraw/zinc/27/70/20/542277020.db2.gz BLVYROVUHGRJJR-UHFFFAOYSA-N 0 3 287.403 2.600 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000178091366 380408412 /nfs/dbraw/zinc/40/84/12/380408412.db2.gz ULHJRAHTQGDWBW-QGZVFWFLSA-N 0 3 270.376 2.850 20 30 CFEDHN CC(C(=O)N(C)c1ccccc1C#N)C(F)(F)F ZINC000336560129 380465545 /nfs/dbraw/zinc/46/55/45/380465545.db2.gz HKDZVWPHUHVTMM-QMMMGPOBSA-N 0 3 256.227 2.719 20 30 CFEDHN COc1cc(C)c([C@H](C)NCCCC#N)cc1OC ZINC000179635510 380565826 /nfs/dbraw/zinc/56/58/26/380565826.db2.gz TYVADPDLOZJUET-LBPRGKRZSA-N 0 3 262.353 2.967 20 30 CFEDHN CC(C)C[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000179722016 380574895 /nfs/dbraw/zinc/57/48/95/380574895.db2.gz MHMGXEYPRGHPOS-CQSZACIVSA-N 0 3 293.798 2.657 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179780128 380580891 /nfs/dbraw/zinc/58/08/91/380580891.db2.gz ZZRJGNDKLXOUKM-GFCCVEGCSA-N 0 3 271.364 2.989 20 30 CFEDHN N#Cc1cccc(NCC2CCN(c3ccncc3)CC2)n1 ZINC000180043730 380613238 /nfs/dbraw/zinc/61/32/38/380613238.db2.gz TZFCPSWJVCIYGC-UHFFFAOYSA-N 0 3 293.374 2.677 20 30 CFEDHN CN(C)c1cccc(NCc2cc(C#N)cs2)n1 ZINC000180526459 380673002 /nfs/dbraw/zinc/67/30/02/380673002.db2.gz SIIWTZRBCHSOCC-UHFFFAOYSA-N 0 3 258.350 2.693 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000180793486 380699699 /nfs/dbraw/zinc/69/96/99/380699699.db2.gz DWJDVDYXURFABI-INIZCTEOSA-N 0 3 274.408 2.974 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181007846 380723368 /nfs/dbraw/zinc/72/33/68/380723368.db2.gz BUOYVKLQQARPQL-QGZVFWFLSA-N 0 3 290.382 2.949 20 30 CFEDHN C#CCCOc1ccc(CN(C)CCOCC)cc1 ZINC000181491953 380807026 /nfs/dbraw/zinc/80/70/26/380807026.db2.gz HUYDHEOVWSONPX-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1 ZINC000181531411 380817458 /nfs/dbraw/zinc/81/74/58/380817458.db2.gz UPUQHZOHCYNSEA-LBTNJELSSA-N 0 3 299.418 2.577 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(N2CCOC2=O)cc1 ZINC000181293999 380770845 /nfs/dbraw/zinc/77/08/45/380770845.db2.gz NWSOTJBXYWMYFZ-GFCCVEGCSA-N 0 3 273.336 2.598 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc3c[nH]nc3c2)s1 ZINC000341258340 380874498 /nfs/dbraw/zinc/87/44/98/380874498.db2.gz WXBSTOPPLGSIKR-UHFFFAOYSA-N 0 3 282.372 2.828 20 30 CFEDHN C[C@@H](N[C@@H]1CCO[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358563282 380929604 /nfs/dbraw/zinc/92/96/04/380929604.db2.gz VRKRJFBCEZMYHO-NQBHXWOUSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CCC ZINC000295483550 380886947 /nfs/dbraw/zinc/88/69/47/380886947.db2.gz JIRKPBKWMZQMTA-INIZCTEOSA-N 0 3 258.365 2.707 20 30 CFEDHN C=C(CC)CN1CCN(CCc2cccs2)CC1 ZINC000358500297 380887364 /nfs/dbraw/zinc/88/73/64/380887364.db2.gz QIOPJVILDSWMBE-UHFFFAOYSA-N 0 3 264.438 2.874 20 30 CFEDHN C=C(CC)CN1CCC(C(=O)N(C)CCCC)CC1 ZINC000358506949 380892827 /nfs/dbraw/zinc/89/28/27/380892827.db2.gz JSYBQFPNTQLLMU-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C[C@H](NC[C@@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000358551266 380917279 /nfs/dbraw/zinc/91/72/79/380917279.db2.gz AKKYFZRJLAQDAO-AAEUAGOBSA-N 0 3 262.328 2.775 20 30 CFEDHN C[C@H](NC[C@@]1(C)CCOC1)c1ccc(C#N)cc1F ZINC000358564094 380931658 /nfs/dbraw/zinc/93/16/58/380931658.db2.gz WUGTWXWTVNOHRR-XHDPSFHLSA-N 0 3 262.328 2.775 20 30 CFEDHN CC(C)N(C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358553420 380920629 /nfs/dbraw/zinc/92/06/29/380920629.db2.gz ILUMYOHYPDNJOB-GFCCVEGCSA-N 0 3 263.360 2.688 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC000358588538 380951031 /nfs/dbraw/zinc/95/10/31/380951031.db2.gz KJDKEVQQFIOHGV-UHFFFAOYSA-N 0 3 274.408 2.586 20 30 CFEDHN C[C@@H](NC[C@@H](O)C(C)(C)C)c1ccc(C#N)cc1F ZINC000358594792 380957625 /nfs/dbraw/zinc/95/76/25/380957625.db2.gz UGCPUEKLDBCNHN-QMTHXVAHSA-N 0 3 264.344 2.755 20 30 CFEDHN C=C(CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000287862988 380958186 /nfs/dbraw/zinc/95/81/86/380958186.db2.gz DAGOSKLKXGFCKE-HOCLYGCPSA-N 0 3 299.418 2.624 20 30 CFEDHN C=CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287947667 380978793 /nfs/dbraw/zinc/97/87/93/380978793.db2.gz HOIVZYDAAHUCRE-ZFWWWQNUSA-N 0 3 275.396 2.505 20 30 CFEDHN C[C@H](N[C@@H](C)[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358567879 380933696 /nfs/dbraw/zinc/93/36/96/380933696.db2.gz KITFTDJTOWYZQB-GVXVVHGQSA-N 0 3 262.328 2.773 20 30 CFEDHN CC[C@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358569953 380938042 /nfs/dbraw/zinc/93/80/42/380938042.db2.gz MUAQANASPHRYSJ-HZMBPMFUSA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@H](NC1CCC(CO)CC1)c1ccc(C#N)cc1F ZINC000358577715 380943709 /nfs/dbraw/zinc/94/37/09/380943709.db2.gz UWPBLPIXHKWTOH-DCBWTQNWSA-N 0 3 276.355 2.899 20 30 CFEDHN CCCCCNC(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000411167783 381012380 /nfs/dbraw/zinc/01/23/80/381012380.db2.gz YJRMJELZWSMRLF-AWEZNQCLSA-N 0 3 279.428 2.697 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)CCc1ccccc1 ZINC000182194227 381016911 /nfs/dbraw/zinc/01/69/11/381016911.db2.gz USAZTVUCZXWSFC-IBGZPJMESA-N 0 3 294.398 2.984 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000411267440 381021037 /nfs/dbraw/zinc/02/10/37/381021037.db2.gz RNVXMHRZDRWWDU-KBPBESRZSA-N 0 3 279.428 2.553 20 30 CFEDHN CNC(=O)CC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411304315 381021571 /nfs/dbraw/zinc/02/15/71/381021571.db2.gz HSLVVMIPPDLOHF-UHFFFAOYSA-N 0 3 291.439 2.699 20 30 CFEDHN C=CCNC(=O)CN[C@H](CCCC)c1ccc(OC)cc1 ZINC000182146682 381004014 /nfs/dbraw/zinc/00/40/14/381004014.db2.gz ATCSDHKDAYKSNV-MRXNPFEDSA-N 0 3 290.407 2.818 20 30 CFEDHN CCCCN(CCCO)Cc1ccc(C#N)cc1OC ZINC000182147162 381004052 /nfs/dbraw/zinc/00/40/52/381004052.db2.gz ORUAKPMQTRBKDN-UHFFFAOYSA-N 0 3 276.380 2.551 20 30 CFEDHN N#CC1CCN(CCCOCc2ccccc2)CC1 ZINC000182291384 381049886 /nfs/dbraw/zinc/04/98/86/381049886.db2.gz ORPGJEJSLUNTOG-UHFFFAOYSA-N 0 3 258.365 2.829 20 30 CFEDHN N#Cc1csc(CNC[C@H](CO)CC2CCCC2)c1 ZINC000341500063 381051393 /nfs/dbraw/zinc/05/13/93/381051393.db2.gz MONVOEQNTGUBGF-CQSZACIVSA-N 0 3 278.421 2.898 20 30 CFEDHN COCC1(C)CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000358765303 381068078 /nfs/dbraw/zinc/06/80/78/381068078.db2.gz FOWSBTPPDULATR-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CC)CC1 ZINC000358787778 381083892 /nfs/dbraw/zinc/08/38/92/381083892.db2.gz ODPNBQZJQNJHHB-GDBMZVCRSA-N 0 3 293.455 2.905 20 30 CFEDHN CCCN(CCc1ccccn1)Cc1cc(C#N)n(C)c1 ZINC000289664587 381091301 /nfs/dbraw/zinc/09/13/01/381091301.db2.gz DCRIAZIIFUFHNZ-UHFFFAOYSA-N 0 3 282.391 2.746 20 30 CFEDHN COC1([C@H](C)NCc2ccc(C#N)c(F)c2)CCC1 ZINC000412020186 381092869 /nfs/dbraw/zinc/09/28/69/381092869.db2.gz HUFOBTZHXRCFEM-NSHDSACASA-N 0 3 262.328 2.745 20 30 CFEDHN COC1([C@@H](C)NCc2cc(C#N)ccc2F)CCC1 ZINC000412024168 381098573 /nfs/dbraw/zinc/09/85/73/381098573.db2.gz YSOGBCABOGXOCM-LLVKDONJSA-N 0 3 262.328 2.745 20 30 CFEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289686809 381104536 /nfs/dbraw/zinc/10/45/36/381104536.db2.gz ZYFMMKVFILNOSS-VXGBXAGGSA-N 0 3 278.783 2.977 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](CCC)C1 ZINC000341602522 381115927 /nfs/dbraw/zinc/11/59/27/381115927.db2.gz CWTAPJUUMBLCGC-HNNXBMFYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=CC[C@H](CC)NCc1ncc(C2OCCO2)s1 ZINC000289758024 381141148 /nfs/dbraw/zinc/14/11/48/381141148.db2.gz QGCNLNAMFMVGBF-JTQLQIEISA-N 0 3 268.382 2.633 20 30 CFEDHN CN(CC1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182779756 381156208 /nfs/dbraw/zinc/15/62/08/381156208.db2.gz RLCAOTDMRIIMRS-QGZVFWFLSA-N 0 3 297.402 2.786 20 30 CFEDHN CC#CCCNCc1cccc(OCCCOC)c1 ZINC000354182516 381125273 /nfs/dbraw/zinc/12/52/73/381125273.db2.gz ZZTJESLEPLHWGT-UHFFFAOYSA-N 0 3 261.365 2.605 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000412060853 381133367 /nfs/dbraw/zinc/13/33/67/381133367.db2.gz GVQJRLRZXGBSBZ-GUYCJALGSA-N 0 3 286.375 2.894 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347483269 381179357 /nfs/dbraw/zinc/17/93/57/381179357.db2.gz MBYVCDYUQPKKKE-MRXNPFEDSA-N 0 3 266.429 2.827 20 30 CFEDHN CC#CCCN(CCOC)[C@@H]1CCCc2cccnc21 ZINC000369020384 381182238 /nfs/dbraw/zinc/18/22/38/381182238.db2.gz XKHSABCVTWMUGM-MRXNPFEDSA-N 0 3 272.392 2.821 20 30 CFEDHN C=CCCCN1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000369168344 381204580 /nfs/dbraw/zinc/20/45/80/381204580.db2.gz YPAZRAUZEDOCCT-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000342084501 381210251 /nfs/dbraw/zinc/21/02/51/381210251.db2.gz LMFAWSKFRHKSKK-BFHYXJOUSA-N 0 3 267.417 2.513 20 30 CFEDHN CC1(C)C[C@H](O)CCN(CC#Cc2ccccc2)C1 ZINC000296029612 381219496 /nfs/dbraw/zinc/21/94/96/381219496.db2.gz MJUUCCUBYNBNMM-MRXNPFEDSA-N 0 3 257.377 2.521 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000296100870 381254706 /nfs/dbraw/zinc/25/47/06/381254706.db2.gz RUIQJHKGBGIJKX-UWVGGRQHSA-N 0 3 290.190 2.897 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000290012368 381261167 /nfs/dbraw/zinc/26/11/67/381261167.db2.gz ZZXJGFCWUDGURR-KBPBESRZSA-N 0 3 290.407 2.664 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NC[C@@H](CC)OC)cc1 ZINC000290015196 381261743 /nfs/dbraw/zinc/26/17/43/381261743.db2.gz BYDHANHDLMEVNK-UKRRQHHQSA-N 0 3 261.365 2.774 20 30 CFEDHN C=CCN(CCc1cncn1C)Cc1cccc(C#N)c1 ZINC000290021466 381266357 /nfs/dbraw/zinc/26/63/57/381266357.db2.gz MRDWYNYPPMSSFN-UHFFFAOYSA-N 0 3 280.375 2.522 20 30 CFEDHN N#Cc1cccc(CN2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000369469974 381268655 /nfs/dbraw/zinc/26/86/55/381268655.db2.gz MDFBDZYFGWDWCM-HZPDHXFCSA-N 0 3 256.349 2.702 20 30 CFEDHN CO[C@H]1CCN(CCOc2ccc(C#N)cc2)CC1(C)C ZINC000296130068 381268737 /nfs/dbraw/zinc/26/87/37/381268737.db2.gz SEWWNGUFFGEZDA-INIZCTEOSA-N 0 3 288.391 2.684 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000342278820 381242853 /nfs/dbraw/zinc/24/28/53/381242853.db2.gz CVQKOYWXXYHBSS-ZDUSSCGKSA-N 0 3 291.395 2.563 20 30 CFEDHN Cc1cnn([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)c1 ZINC000290081083 381292445 /nfs/dbraw/zinc/29/24/45/381292445.db2.gz YYRYJSAOBVECCG-MRXNPFEDSA-N 0 3 266.348 2.510 20 30 CFEDHN C=CCC[C@@H](NCc1nnc(CC)s1)C1CC1 ZINC000290086038 381294409 /nfs/dbraw/zinc/29/44/09/381294409.db2.gz HECDGNVESTXKJM-LLVKDONJSA-N 0 3 251.399 2.935 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000347700843 381304427 /nfs/dbraw/zinc/30/44/27/381304427.db2.gz HAHBWGBJKAKKBW-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN CO[C@H]1CCN(CCOc2ccccc2C#N)CC1(C)C ZINC000296145717 381274169 /nfs/dbraw/zinc/27/41/69/381274169.db2.gz SZJLVTRGSZNJSQ-INIZCTEOSA-N 0 3 288.391 2.684 20 30 CFEDHN COc1ccc(CNCCSC(C)C)cc1C#N ZINC000290057809 381282636 /nfs/dbraw/zinc/28/26/36/381282636.db2.gz GYCAHXAPAMBZBO-UHFFFAOYSA-N 0 3 264.394 2.798 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](CC)c2cnn(C)c2)cc1 ZINC000296262033 381324715 /nfs/dbraw/zinc/32/47/15/381324715.db2.gz DHKPOGTWECNRRK-KRWDZBQOSA-N 0 3 283.375 2.673 20 30 CFEDHN CCCCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C1(C)C ZINC000354511967 381312323 /nfs/dbraw/zinc/31/23/23/381312323.db2.gz NKTWJBDTSKXNKP-FRRDWIJNSA-N 0 3 266.385 2.588 20 30 CFEDHN C#C[C@H](NCc1ccc(COCCOC)cc1)C(C)(C)C ZINC000290144747 381318577 /nfs/dbraw/zinc/31/85/77/381318577.db2.gz KPTMLNARLGTJIW-KRWDZBQOSA-N 0 3 289.419 2.987 20 30 CFEDHN C=CCOc1cccc(CN2CCC(C)(CO)CC2)c1 ZINC000184066737 381366652 /nfs/dbraw/zinc/36/66/52/381366652.db2.gz AWSQJHUNVKCIJW-UHFFFAOYSA-N 0 3 275.392 2.846 20 30 CFEDHN COC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)cn1C ZINC000347916553 381413543 /nfs/dbraw/zinc/41/35/43/381413543.db2.gz SVTWJFHBALICDK-GFCCVEGCSA-N 0 3 297.358 2.534 20 30 CFEDHN C#CCSCCN[C@H]1CCc2c1ccc(OC)c2F ZINC000290334373 381388374 /nfs/dbraw/zinc/38/83/74/381388374.db2.gz PCGJONNQXRNIKD-ZDUSSCGKSA-N 0 3 279.380 2.778 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(NCCN(C)C3CC3)c2c1 ZINC000359491127 381432959 /nfs/dbraw/zinc/43/29/59/381432959.db2.gz ZXVSPAIAEJCULI-UHFFFAOYSA-N 0 3 294.402 2.651 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000296525001 381433575 /nfs/dbraw/zinc/43/35/75/381433575.db2.gz ZWRGDAPEHORZCZ-SFHVURJKSA-N 0 3 297.402 2.618 20 30 CFEDHN Cc1nnc(C2CCN(Cc3ccc(F)cc3C#N)CC2)[nH]1 ZINC000370377368 381438372 /nfs/dbraw/zinc/43/83/72/381438372.db2.gz QHBSRJHJUXPEPK-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN C[C@@H](CC(C)(C)O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000296542128 381440601 /nfs/dbraw/zinc/44/06/01/381440601.db2.gz RCAVXTUTPOLRCY-QWRGUYRKSA-N 0 3 264.344 2.897 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1cccnc1C#N ZINC000290552797 381478483 /nfs/dbraw/zinc/47/84/83/381478483.db2.gz JQENHJOZLTZYKH-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cc(OC)ccc1OC ZINC000348036046 381454476 /nfs/dbraw/zinc/45/44/76/381454476.db2.gz PSCYRLDUZUFHJZ-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000184653726 381454927 /nfs/dbraw/zinc/45/49/27/381454927.db2.gz FXQBREXDSQIHQU-GFCCVEGCSA-N 0 3 271.364 2.665 20 30 CFEDHN C=CCOCCCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000348048557 381456566 /nfs/dbraw/zinc/45/65/66/381456566.db2.gz MZDWTWRWRWCOME-QGZVFWFLSA-N 0 3 288.435 2.785 20 30 CFEDHN C=CCOCCCN1CCC(C(F)(F)F)CC1 ZINC000348057208 381458418 /nfs/dbraw/zinc/45/84/18/381458418.db2.gz SRVWDWMXVKSNCG-UHFFFAOYSA-N 0 3 251.292 2.853 20 30 CFEDHN C=CCCN(C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000342727216 381503395 /nfs/dbraw/zinc/50/33/95/381503395.db2.gz BJTYJCIJOQBHAI-UHFFFAOYSA-N 0 3 297.402 2.561 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)c1cccs1 ZINC000348321787 381506528 /nfs/dbraw/zinc/50/65/28/381506528.db2.gz NWEHXOBKKXWXDO-OAHLLOKOSA-N 0 3 293.436 2.627 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)c1cccs1 ZINC000348321782 381506646 /nfs/dbraw/zinc/50/66/46/381506646.db2.gz NWEHXOBKKXWXDO-HNNXBMFYSA-N 0 3 293.436 2.627 20 30 CFEDHN C=CCCN(C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000342733717 381507341 /nfs/dbraw/zinc/50/73/41/381507341.db2.gz NSQUTSHLCXOZNU-AWEZNQCLSA-N 0 3 278.783 2.953 20 30 CFEDHN COC[C@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000342703232 381490244 /nfs/dbraw/zinc/49/02/44/381490244.db2.gz POWZYAUUJDTDHD-ZDUSSCGKSA-N 0 3 276.355 2.946 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000342722755 381499104 /nfs/dbraw/zinc/49/91/04/381499104.db2.gz OZCZHBWOOYOQLK-MJBXVCDLSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCCN(C)CC(=O)N(CC(C)C)CC(C)C ZINC000342722695 381499650 /nfs/dbraw/zinc/49/96/50/381499650.db2.gz AQDPFRROYGQOQQ-UHFFFAOYSA-N 0 3 254.418 2.635 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000342722754 381499750 /nfs/dbraw/zinc/49/97/50/381499750.db2.gz OZCZHBWOOYOQLK-MGPQQGTHSA-N 0 3 252.402 2.578 20 30 CFEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C1CC1 ZINC000290746869 381537808 /nfs/dbraw/zinc/53/78/08/381537808.db2.gz ICJRQOKWOWBHCN-JKSUJKDBSA-N 0 3 270.376 2.712 20 30 CFEDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000354987186 381552255 /nfs/dbraw/zinc/55/22/55/381552255.db2.gz ZZOJHBLHRQMZEY-HFBAOOFYSA-N 0 3 292.354 2.542 20 30 CFEDHN Cc1cc(NCCN(C)Cc2ccc(F)cc2)cc(C#N)n1 ZINC000342787605 381539554 /nfs/dbraw/zinc/53/95/54/381539554.db2.gz NLBHGSMALYYZHY-UHFFFAOYSA-N 0 3 298.365 2.945 20 30 CFEDHN COc1ccc([C@H](CN(C)C)N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000342795007 381546064 /nfs/dbraw/zinc/54/60/64/381546064.db2.gz VKCZYVOEYZWVDO-QRTARXTBSA-N 0 3 287.407 2.580 20 30 CFEDHN CCc1cnccc1[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000359676316 381549512 /nfs/dbraw/zinc/54/95/12/381549512.db2.gz KWMUSRFVDLYUIK-GFCCVEGCSA-N 0 3 268.364 2.705 20 30 CFEDHN CCN1CCC[C@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000413025531 381533431 /nfs/dbraw/zinc/53/34/31/381533431.db2.gz QHCIDVFXAZHPRM-NSHDSACASA-N 0 3 298.312 2.868 20 30 CFEDHN C=CCC[C@H](NCCCS(=O)(=O)CC)c1ccco1 ZINC000414337743 381580131 /nfs/dbraw/zinc/58/01/31/381580131.db2.gz JMEXGHLGLGDBCB-ZDUSSCGKSA-N 0 3 285.409 2.701 20 30 CFEDHN C=C(CC)CN[C@@H](C)Cn1cc(Br)ccc1=O ZINC000414138857 381564209 /nfs/dbraw/zinc/56/42/09/381564209.db2.gz FVFGKDBVYVNGHZ-NSHDSACASA-N 0 3 299.212 2.555 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1cccc(C#N)c1C ZINC000355010730 381565076 /nfs/dbraw/zinc/56/50/76/381565076.db2.gz CGSCKQLZNBSSAQ-HNNXBMFYSA-N 0 3 273.380 2.972 20 30 CFEDHN C[C@H](NCC(C)(C)CCC#N)c1cc2n(n1)CCC2 ZINC000414164421 381565719 /nfs/dbraw/zinc/56/57/19/381565719.db2.gz OFZPAPSQXOTAJJ-LBPRGKRZSA-N 0 3 260.385 2.810 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCC[C@@H]2OC(F)F)c1F ZINC000348522365 381606039 /nfs/dbraw/zinc/60/60/39/381606039.db2.gz XANVBTFSCDYWGP-RYUDHWBXSA-N 0 3 284.281 2.947 20 30 CFEDHN Cn1cc(CNC(C)(C)c2cccs2)cc1C#N ZINC000359749747 381595562 /nfs/dbraw/zinc/59/55/62/381595562.db2.gz WHSYXGPFIXELGD-UHFFFAOYSA-N 0 3 259.378 2.983 20 30 CFEDHN CC#CCCCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000359781411 381607602 /nfs/dbraw/zinc/60/76/02/381607602.db2.gz CPBUAYRVIAUUNL-INIZCTEOSA-N 0 3 290.382 2.738 20 30 CFEDHN C[C@@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348504865 381597151 /nfs/dbraw/zinc/59/71/51/381597151.db2.gz CUBUJASFDWHZJY-WQVCFCJDSA-N 0 3 281.359 2.545 20 30 CFEDHN CC(C)[C@H](CO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000359787089 381611975 /nfs/dbraw/zinc/61/19/75/381611975.db2.gz CMGBDMUUGNYEBJ-AWEZNQCLSA-N 0 3 285.309 2.663 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000298409849 381613539 /nfs/dbraw/zinc/61/35/39/381613539.db2.gz FLCBDIVWPWEZSG-ZIAGYGMSSA-N 0 3 250.773 2.774 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185370858 381616022 /nfs/dbraw/zinc/61/60/22/381616022.db2.gz RPCGMXKVZAVSIQ-QWHCGFSZSA-N 0 3 266.410 2.819 20 30 CFEDHN Cc1c2ccccc2n(C)c1CNCc1cc(C#N)n(C)c1 ZINC000355110286 381616910 /nfs/dbraw/zinc/61/69/10/381616910.db2.gz GFZKEDNYHDAWTI-UHFFFAOYSA-N 0 3 292.386 2.987 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(C#N)c2F)[C@H]2CCO[C@H]21 ZINC000355120431 381625688 /nfs/dbraw/zinc/62/56/88/381625688.db2.gz JVWKGKCWBMCRNV-BPLDGKMQSA-N 0 3 274.339 2.600 20 30 CFEDHN CO[C@@](C)(CNCc1ccc(C#N)s1)C1CC1 ZINC000291025047 381636744 /nfs/dbraw/zinc/63/67/44/381636744.db2.gz HRVDHVDYNIYXSU-ZDUSSCGKSA-N 0 3 250.367 2.524 20 30 CFEDHN CC[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)N(CC)CC ZINC000359863818 381647369 /nfs/dbraw/zinc/64/73/69/381647369.db2.gz ZMNPVYAKXOKOEI-LSDHHAIUSA-N 0 3 279.428 2.695 20 30 CFEDHN C=C(C)CN(CC[C@H]1CCOC1)Cc1ccc(CO)o1 ZINC000348631695 381647521 /nfs/dbraw/zinc/64/75/21/381647521.db2.gz FRNVEQHNMUQXCH-AWEZNQCLSA-N 0 3 279.380 2.577 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1ccccc1SC ZINC000298473522 381641840 /nfs/dbraw/zinc/64/18/40/381641840.db2.gz SMKXHQJVPGYEIR-UHFFFAOYSA-N 0 3 276.405 2.692 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1C1CCC1 ZINC000343113706 381662221 /nfs/dbraw/zinc/66/22/21/381662221.db2.gz MAPAUGOGTUEKSQ-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCCN(C)Cc1cc(C(=O)OC)c(C)n1C ZINC000291103538 381667916 /nfs/dbraw/zinc/66/79/16/381667916.db2.gz BDZSRUCWIMWSOU-UHFFFAOYSA-N 0 3 264.369 2.518 20 30 CFEDHN C[C@H](C#N)CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000185573755 381669004 /nfs/dbraw/zinc/66/90/04/381669004.db2.gz RHSLOHUFKNUEJI-NEPJUHHUSA-N 0 3 261.325 2.665 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC2(C1)CCCCCC2 ZINC000371862644 381712674 /nfs/dbraw/zinc/71/26/74/381712674.db2.gz GKOKUNIRZNOOFK-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN N#CC(C(=O)NCc1ccco1)c1nccc2ccccc21 ZINC000359923605 381682603 /nfs/dbraw/zinc/68/26/03/381682603.db2.gz LSUYOPQOGQHISH-OAHLLOKOSA-N 0 3 291.310 2.751 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(CCCC#N)n2)cc1 ZINC000359941810 381692579 /nfs/dbraw/zinc/69/25/79/381692579.db2.gz UKDFNQCLTAWACX-UHFFFAOYSA-N 0 3 270.336 2.644 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000291233728 381717236 /nfs/dbraw/zinc/71/72/36/381717236.db2.gz KPNNTTNFOZRZFE-KRWDZBQOSA-N 0 3 295.386 2.732 20 30 CFEDHN C#CCOc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000371808895 381704546 /nfs/dbraw/zinc/70/45/46/381704546.db2.gz LNFBQMWASAWZDB-SFHVURJKSA-N 0 3 299.414 2.947 20 30 CFEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cncs1 ZINC000343507073 381758706 /nfs/dbraw/zinc/75/87/06/381758706.db2.gz GZQQDNFCLRJWBX-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN C=CCCC1(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000355313203 381745308 /nfs/dbraw/zinc/74/53/08/381745308.db2.gz LLTRUSGKMFGBIN-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN COCC1=CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000185821771 381745944 /nfs/dbraw/zinc/74/59/44/381745944.db2.gz YOJNXEVVBLBVBI-CYBMUJFWSA-N 0 3 256.349 2.898 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000185824324 381746148 /nfs/dbraw/zinc/74/61/48/381746148.db2.gz GNXRTAWKNUFICA-AWEZNQCLSA-N 0 3 278.396 2.772 20 30 CFEDHN CC[C@@H](CNC(=O)CCCC#N)N1CCc2ccccc2C1 ZINC000360002191 381721047 /nfs/dbraw/zinc/72/10/47/381721047.db2.gz AFRCMLRMDVYTGD-KRWDZBQOSA-N 0 3 299.418 2.633 20 30 CFEDHN C=CCCCS(=O)(=O)Nc1ccc(C)cc1CN(C)C ZINC000291894962 381784520 /nfs/dbraw/zinc/78/45/20/381784520.db2.gz PKURSSIUNUDNLZ-UHFFFAOYSA-N 0 3 296.436 2.765 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1CCC ZINC000343563147 381800208 /nfs/dbraw/zinc/80/02/08/381800208.db2.gz GGUGFJICWCIDLM-HIFRSBDPSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1ccnc(N[C@@H](C)CN2CCC[C@@H](C)C2)c1C#N ZINC000343544956 381785605 /nfs/dbraw/zinc/78/56/05/381785605.db2.gz ZBEDFAFXFGSBBH-OCCSQVGLSA-N 0 3 272.396 2.794 20 30 CFEDHN CC(C)(CCC#N)CNCc1cccc2c1OCCO2 ZINC000355703000 381796181 /nfs/dbraw/zinc/79/61/81/381796181.db2.gz AADOSZHMVPYKDT-UHFFFAOYSA-N 0 3 274.364 2.877 20 30 CFEDHN C=CCOc1cccc(CN(C)CC2(O)CCC2)c1 ZINC000355371661 381764690 /nfs/dbraw/zinc/76/46/90/381764690.db2.gz OJOWGWGFMDHCMM-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CCCN(CC(C)C)CC1 ZINC000372186322 381771293 /nfs/dbraw/zinc/77/12/93/381771293.db2.gz POHZZPFPIOIMFS-UHFFFAOYSA-N 0 3 299.418 2.671 20 30 CFEDHN CCn1cc([C@H](C)NCCc2cccc(C#N)c2)cn1 ZINC000343527081 381775467 /nfs/dbraw/zinc/77/54/67/381775467.db2.gz ZYLIMJFFJCKDHF-ZDUSSCGKSA-N 0 3 268.364 2.668 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000343529161 381776993 /nfs/dbraw/zinc/77/69/93/381776993.db2.gz MFLBGDWTPBMSIG-KBPBESRZSA-N 0 3 298.308 2.640 20 30 CFEDHN C#CCN(CC)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000299151588 381844779 /nfs/dbraw/zinc/84/47/79/381844779.db2.gz FPPJVIVMFNZGOD-XJKSGUPXSA-N 0 3 295.810 2.734 20 30 CFEDHN C=CC[C@H](CC)NCc1cc(C(=O)OCC)co1 ZINC000343608094 381835706 /nfs/dbraw/zinc/83/57/06/381835706.db2.gz UCUZWPYHBCUBPF-LBPRGKRZSA-N 0 3 251.326 2.901 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCC[C@H]1O ZINC000356320880 381843183 /nfs/dbraw/zinc/84/31/83/381843183.db2.gz PFOFEHONIMPXKO-ZIAGYGMSSA-N 0 3 298.308 2.922 20 30 CFEDHN C=CC[C@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186052604 381813212 /nfs/dbraw/zinc/81/32/12/381813212.db2.gz MRIPMMGLKAZBIX-UONOGXRCSA-N 0 3 281.421 2.711 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000186067561 381816485 /nfs/dbraw/zinc/81/64/85/381816485.db2.gz SJZXWRJOGLKELZ-FUHWJXTLSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361260472 381816698 /nfs/dbraw/zinc/81/66/98/381816698.db2.gz GMHDHEQQXADTOU-OAHLLOKOSA-N 0 3 291.391 2.669 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000343664291 381876227 /nfs/dbraw/zinc/87/62/27/381876227.db2.gz UQJHJTLZYGZUFM-OIBJUYFYSA-N 0 3 274.217 2.705 20 30 CFEDHN C#CCCN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000372841636 381879570 /nfs/dbraw/zinc/87/95/70/381879570.db2.gz XZEGXHUQLXFQTA-AWEZNQCLSA-N 0 3 288.391 2.603 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2)c(F)c1 ZINC000343670869 381879861 /nfs/dbraw/zinc/87/98/61/381879861.db2.gz SVFQOFLVSROARU-MRXNPFEDSA-N 0 3 298.361 2.638 20 30 CFEDHN C=CC[C@@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416166641 381881315 /nfs/dbraw/zinc/88/13/15/381881315.db2.gz NGAWGEUIHPAUJD-UKRRQHHQSA-N 0 3 260.381 2.760 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000416253903 381883871 /nfs/dbraw/zinc/88/38/71/381883871.db2.gz TYCGIAKOFBLIHI-CHWSQXEVSA-N 0 3 294.395 2.649 20 30 CFEDHN CC[C@H](NCCc1cccc(C#N)c1)c1ccn(C)n1 ZINC000343618635 381846918 /nfs/dbraw/zinc/84/69/18/381846918.db2.gz UAQJGKTYHDFSDK-HNNXBMFYSA-N 0 3 268.364 2.575 20 30 CFEDHN CC[C@@H](NCCc1cccc(C#N)c1)c1ccn(C)n1 ZINC000343618639 381847316 /nfs/dbraw/zinc/84/73/16/381847316.db2.gz UAQJGKTYHDFSDK-OAHLLOKOSA-N 0 3 268.364 2.575 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccccc1 ZINC000361840558 381865325 /nfs/dbraw/zinc/86/53/25/381865325.db2.gz UZNHSUGKXCESQB-VYDXJSESSA-N 0 3 257.377 2.519 20 30 CFEDHN C#CCCN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000299238946 381867735 /nfs/dbraw/zinc/86/77/35/381867735.db2.gz UJIQVHALUKVKIH-HNNXBMFYSA-N 0 3 259.349 2.864 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)CC#Cc1ccccc1 ZINC000361861268 381867972 /nfs/dbraw/zinc/86/79/72/381867972.db2.gz YILYPGTZXLISJO-UHFFFAOYSA-N 0 3 273.376 2.702 20 30 CFEDHN C=C(C)CNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415951277 381871719 /nfs/dbraw/zinc/87/17/19/381871719.db2.gz IYEUANCMBZMXAM-UHFFFAOYSA-N 0 3 287.285 2.862 20 30 CFEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccccc2C)C1=O ZINC000292952019 381919541 /nfs/dbraw/zinc/91/95/41/381919541.db2.gz IUZAMORKFNIMTJ-OAHLLOKOSA-N 0 3 272.392 2.607 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343766166 381931384 /nfs/dbraw/zinc/93/13/84/381931384.db2.gz CXVVQGBBPDFTHR-HIFRSBDPSA-N 0 3 264.413 2.864 20 30 CFEDHN CC(C)[C@@]1(CO)CCCN(Cc2cccc(C#N)c2)C1 ZINC000292895751 381889364 /nfs/dbraw/zinc/88/93/64/381889364.db2.gz ADFNMAYNEXOHBN-KRWDZBQOSA-N 0 3 272.392 2.789 20 30 CFEDHN N#CCc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000343689090 381889366 /nfs/dbraw/zinc/88/93/66/381889366.db2.gz LGOUWOMBHMVEIB-GOSISDBHSA-N 0 3 280.371 2.966 20 30 CFEDHN N#Cc1ccc(CNCCn2cnc3ccccc32)s1 ZINC000343807083 381955588 /nfs/dbraw/zinc/95/55/88/381955588.db2.gz MDRGRPGVTMSUSY-UHFFFAOYSA-N 0 3 282.372 2.759 20 30 CFEDHN CC#CCCN1CCC(O)(Cc2ccccc2F)CC1 ZINC000373228753 381956532 /nfs/dbraw/zinc/95/65/32/381956532.db2.gz NAKGOJCNROIULL-UHFFFAOYSA-N 0 3 275.367 2.609 20 30 CFEDHN C[C@H]1CCC[C@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC000356969138 381933984 /nfs/dbraw/zinc/93/39/84/381933984.db2.gz BQSVRFHDAFAPRL-HOTGVXAUSA-N 0 3 298.434 2.902 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000343779248 381937375 /nfs/dbraw/zinc/93/73/75/381937375.db2.gz ZLOVFQZIMWPCRP-CRWXNKLISA-N 0 3 252.402 2.719 20 30 CFEDHN C=CCOc1cccc(CNCCc2nccnc2C)c1 ZINC000293004950 381946429 /nfs/dbraw/zinc/94/64/29/381946429.db2.gz NJEDMMKVQDDPQA-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](C2CC2)O1 ZINC000373401642 381996884 /nfs/dbraw/zinc/99/68/84/381996884.db2.gz ADCSZXVGQXTWDW-OCCSQVGLSA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCCC[C@H](C)N1CCCN(CCC)C(=O)C1 ZINC000349954104 382000859 /nfs/dbraw/zinc/00/08/59/382000859.db2.gz HPKFBOJWVXCQSW-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000343908928 382014799 /nfs/dbraw/zinc/01/47/99/382014799.db2.gz IUZOUAJRLHVOER-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000343854298 381982691 /nfs/dbraw/zinc/98/26/91/381982691.db2.gz ITFPWKOVLJKIME-ARFHVFGLSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)cc2)CCCO1 ZINC000293090922 381986836 /nfs/dbraw/zinc/98/68/36/381986836.db2.gz KJLPULXOXOKAHW-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN Cn1cc(-c2cccc(CN[C@@H]3CC[C@@H](C#N)C3)c2)cn1 ZINC000349805375 381990370 /nfs/dbraw/zinc/99/03/70/381990370.db2.gz VNISCIXJQGOLGP-CXAGYDPISA-N 0 3 280.375 2.869 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCSc2ccc(F)cc21 ZINC000186715548 381991302 /nfs/dbraw/zinc/99/13/02/381991302.db2.gz LCWDLQCCBUMKSK-DGCLKSJQSA-N 0 3 267.369 2.889 20 30 CFEDHN Cn1cc(CN[C@H]2CC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000349848273 381994473 /nfs/dbraw/zinc/99/44/73/381994473.db2.gz ADNIAEWRGAFMEP-BBRMVZONSA-N 0 3 280.375 2.869 20 30 CFEDHN N#CCSCCCN1CC=C(c2cncc(F)c2)CC1 ZINC000374324591 382043311 /nfs/dbraw/zinc/04/33/11/382043311.db2.gz MUKLMUFPKKRKJA-UHFFFAOYSA-N 0 3 291.395 2.957 20 30 CFEDHN C[C@H]1CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000293240850 382044802 /nfs/dbraw/zinc/04/48/02/382044802.db2.gz ZUALJCCAGBNZNE-QWRGUYRKSA-N 0 3 291.782 2.880 20 30 CFEDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000293240857 382044841 /nfs/dbraw/zinc/04/48/41/382044841.db2.gz ZUALJCCAGBNZNE-WDEREUQCSA-N 0 3 291.782 2.880 20 30 CFEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)C(C)C#N ZINC000351596076 382045633 /nfs/dbraw/zinc/04/56/33/382045633.db2.gz RRBYAIWFAGFBML-CWSCBRNRSA-N 0 3 280.755 2.692 20 30 CFEDHN C=C(C)CCN1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000351848945 382066001 /nfs/dbraw/zinc/06/60/01/382066001.db2.gz CQCSMHBTCCJAJA-UHFFFAOYSA-N 0 3 292.398 2.918 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000362368839 382028947 /nfs/dbraw/zinc/02/89/47/382028947.db2.gz CLKYORZMQVGSEL-ZBFHGGJFSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(C)(CC(C)C)CC2)C1=O ZINC000344015308 382068309 /nfs/dbraw/zinc/06/83/09/382068309.db2.gz RJXPFTFKOWHGKQ-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000344064351 382103061 /nfs/dbraw/zinc/10/30/61/382103061.db2.gz FIXJDLAHAOSSGP-KRWDZBQOSA-N 0 3 288.391 2.576 20 30 CFEDHN CC(C)CCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301207193 382105513 /nfs/dbraw/zinc/10/55/13/382105513.db2.gz QWVKNNXKXJGOLE-UHFFFAOYSA-N 0 3 275.371 2.865 20 30 CFEDHN Cc1nc(CNCC(C)(C)CCC#N)c2n1CCCC2 ZINC000375851680 382108486 /nfs/dbraw/zinc/10/84/86/382108486.db2.gz VJPPCJLSBZXLRK-UHFFFAOYSA-N 0 3 274.412 2.947 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)CCC(C)(C)C#N ZINC000344076626 382112461 /nfs/dbraw/zinc/11/24/61/382112461.db2.gz VFXYNNOVMUHANK-UHFFFAOYSA-N 0 3 285.391 2.947 20 30 CFEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1ccccc1Cl ZINC000293424033 382117676 /nfs/dbraw/zinc/11/76/76/382117676.db2.gz IXDINTYSPJAJDL-OAHLLOKOSA-N 0 3 290.794 2.616 20 30 CFEDHN CC1CCC(N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000301257235 382124325 /nfs/dbraw/zinc/12/43/25/382124325.db2.gz DNFQNHZSIGONMO-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN C#CCCN1CCN(c2ccccc2OC)CC[C@H]1C ZINC000375671725 382096203 /nfs/dbraw/zinc/09/62/03/382096203.db2.gz JDNDJOXFRTWGEV-OAHLLOKOSA-N 0 3 272.392 2.619 20 30 CFEDHN CC(C)(C#N)CCCCN1CCO[C@]2(CCCOC2)C1 ZINC000375664872 382096353 /nfs/dbraw/zinc/09/63/53/382096353.db2.gz PBKSZPKKRUIHLR-MRXNPFEDSA-N 0 3 280.412 2.588 20 30 CFEDHN CC(C)COCCN(C)CCOCc1ccc(C#N)cc1 ZINC000344134754 382151357 /nfs/dbraw/zinc/15/13/57/382151357.db2.gz ZLFGUDSEYDJEIY-UHFFFAOYSA-N 0 3 290.407 2.679 20 30 CFEDHN C=CCOCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000293632227 382205549 /nfs/dbraw/zinc/20/55/49/382205549.db2.gz WWGRWJXMUVIYHG-CQSZACIVSA-N 0 3 281.421 2.932 20 30 CFEDHN C=CCN(C[C@@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000357532809 382211710 /nfs/dbraw/zinc/21/17/10/382211710.db2.gz VZFPXHLEVCAMHK-CQSZACIVSA-N 0 3 281.783 2.730 20 30 CFEDHN CC[C@H]1[C@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000187580918 382216523 /nfs/dbraw/zinc/21/65/23/382216523.db2.gz JUTNYSGCIIYLKT-DOMZBBRYSA-N 0 3 268.364 2.826 20 30 CFEDHN N#Cc1ccc(N2CCCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000362957238 382224894 /nfs/dbraw/zinc/22/48/94/382224894.db2.gz DJGWSZRGIDJAEF-GOSISDBHSA-N 0 3 299.418 2.639 20 30 CFEDHN CC(C)(C#N)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363087618 382226647 /nfs/dbraw/zinc/22/66/47/382226647.db2.gz INGOQVOCWJAFCF-MRXNPFEDSA-N 0 3 299.418 2.565 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000345053519 382281611 /nfs/dbraw/zinc/28/16/11/382281611.db2.gz UHTRNCVRAYXJLK-SNVBAGLBSA-N 0 3 262.740 2.647 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000345102194 382283929 /nfs/dbraw/zinc/28/39/29/382283929.db2.gz GIVPYRICGWHKDC-LDWIPMOCSA-N 0 3 292.207 2.844 20 30 CFEDHN CC#CCN(CCCOc1ccc(F)cc1)CCOC ZINC000357704782 382285831 /nfs/dbraw/zinc/28/58/31/382285831.db2.gz MRAREHAXZDRSIB-UHFFFAOYSA-N 0 3 279.355 2.566 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@@]2(CCCOC2)C1 ZINC000352359499 382288151 /nfs/dbraw/zinc/28/81/51/382288151.db2.gz AZCJDUKTXSGTSK-CABCVRRESA-N 0 3 253.386 2.613 20 30 CFEDHN Cc1ccc(N2CCN(CCC(C)(C)C)CC2)nc1C#N ZINC000302676351 382288956 /nfs/dbraw/zinc/28/89/56/382288956.db2.gz UNUMCTKRBZXYID-UHFFFAOYSA-N 0 3 286.423 2.820 20 30 CFEDHN COC(=O)[C@]1(C)CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187708309 382253208 /nfs/dbraw/zinc/25/32/08/382253208.db2.gz CNVNYOUVHWPVLC-BLLLJJGKSA-N 0 3 272.348 2.504 20 30 CFEDHN CCOCCO[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000187715504 382255254 /nfs/dbraw/zinc/25/52/54/382255254.db2.gz DTVYBNKVUUSCSM-PBHICJAKSA-N 0 3 288.391 2.747 20 30 CFEDHN C=CCCN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000364082506 382260280 /nfs/dbraw/zinc/26/02/80/382260280.db2.gz QXPUACAHOJNQRH-AWEZNQCLSA-N 0 3 262.353 2.629 20 30 CFEDHN N#CC(C(=O)Nc1cccc2ccccc21)c1ccncn1 ZINC000352306709 382269084 /nfs/dbraw/zinc/26/90/84/382269084.db2.gz OYAVPTBSJCUXTM-CQSZACIVSA-N 0 3 288.310 2.876 20 30 CFEDHN CC(C)[C@]1(CO)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000377632880 382306763 /nfs/dbraw/zinc/30/67/63/382306763.db2.gz WACRJKRPIIWWFI-MRXNPFEDSA-N 0 3 276.355 2.538 20 30 CFEDHN C[C@H]1[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000419391674 382313046 /nfs/dbraw/zinc/31/30/46/382313046.db2.gz JYRLCUPDDXRQFK-RBSFLKMASA-N 0 3 291.439 2.648 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1C[C@@H]1C(F)F ZINC000345803732 382315056 /nfs/dbraw/zinc/31/50/56/382315056.db2.gz KWQHBQQHWZXWDP-AVGNSLFASA-N 0 3 278.302 2.529 20 30 CFEDHN CCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OCC ZINC000345841851 382317350 /nfs/dbraw/zinc/31/73/50/382317350.db2.gz KLXIRQRYUQTVHQ-VXGBXAGGSA-N 0 3 290.363 2.821 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000188033793 382329400 /nfs/dbraw/zinc/32/94/00/382329400.db2.gz YAZCEZLMXNOFTB-KSSFIOAISA-N 0 3 297.402 2.794 20 30 CFEDHN CC(C)C[C@]1(CO)CCCN1Cc1cc(C#N)cs1 ZINC000188038386 382330524 /nfs/dbraw/zinc/33/05/24/382330524.db2.gz SJGGSAJEDKLTFK-HNNXBMFYSA-N 0 3 278.421 2.993 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346136156 382332133 /nfs/dbraw/zinc/33/21/33/382332133.db2.gz DSDMBSGTRQLYPW-LJIGWXMPSA-N 0 3 278.440 2.777 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC/C=C/c1ccccc1 ZINC000293912673 382333290 /nfs/dbraw/zinc/33/32/90/382333290.db2.gz GDCQLKSKFBGBLI-KPKJPENVSA-N 0 3 284.403 2.551 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1C[C@H]2CCCC[C@H]21 ZINC000377758382 382336876 /nfs/dbraw/zinc/33/68/76/382336876.db2.gz IDKNFHASUGJIJH-CHWSQXEVSA-N 0 3 289.404 2.823 20 30 CFEDHN CC(C#N)C(=O)N(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000346273400 382339049 /nfs/dbraw/zinc/33/90/49/382339049.db2.gz DBNYXTVDTGBWSM-OOJKYFRXSA-N 0 3 278.396 2.732 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1ncnn1-c1ccccc1 ZINC000279630401 194506106 /nfs/dbraw/zinc/50/61/06/194506106.db2.gz YZLUXYRORVRKCG-UONOGXRCSA-N 0 3 270.380 2.958 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000680483829 542329316 /nfs/dbraw/zinc/32/93/16/542329316.db2.gz BQMJUODPVXFYLA-DZGCQCFKSA-N 0 3 293.407 2.899 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@@H](CC)N(CC)CC ZINC000352488131 382360845 /nfs/dbraw/zinc/36/08/45/382360845.db2.gz MQWKAELVQCHCMI-CYBMUJFWSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CC[C@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000680485074 542330481 /nfs/dbraw/zinc/33/04/81/542330481.db2.gz URWBQDCHRMDJOW-QGZVFWFLSA-N 0 3 299.418 2.575 20 30 CFEDHN C=CCCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365376398 382383039 /nfs/dbraw/zinc/38/30/39/382383039.db2.gz BPXHYNQKZRAJMU-ZIAGYGMSSA-N 0 3 280.412 2.894 20 30 CFEDHN C=CCCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365376395 382383376 /nfs/dbraw/zinc/38/33/76/382383376.db2.gz BPXHYNQKZRAJMU-KGLIPLIRSA-N 0 3 280.412 2.894 20 30 CFEDHN C=CCCCCCN[C@H](c1nncn1C)C(C)C ZINC000352466324 382347199 /nfs/dbraw/zinc/34/71/99/382347199.db2.gz BSNGWHOXJTUUPW-ZDUSSCGKSA-N 0 3 250.390 2.848 20 30 CFEDHN CN(CCSc1cncc(C#N)n1)Cc1ccccc1 ZINC000420607509 382423760 /nfs/dbraw/zinc/42/37/60/382423760.db2.gz BZMMTXCCTWRUKB-UHFFFAOYSA-N 0 3 284.388 2.572 20 30 CFEDHN OCC1(NCC#Cc2ccc(Cl)cc2)CCCC1 ZINC000305197123 382434294 /nfs/dbraw/zinc/43/42/94/382434294.db2.gz DWAOMOJLRJONBM-UHFFFAOYSA-N 0 3 263.768 2.586 20 30 CFEDHN CC[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C ZINC000378354685 382445563 /nfs/dbraw/zinc/44/55/63/382445563.db2.gz HTRHOBYKJRAURK-KRWDZBQOSA-N 0 3 297.402 2.514 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000304975245 382419821 /nfs/dbraw/zinc/41/98/21/382419821.db2.gz CAIRNNPVZGJLIM-INIZCTEOSA-N 0 3 261.340 2.737 20 30 CFEDHN C#CCN(C[C@H](O)c1ccccc1F)C1CCCC1 ZINC000305035883 382420338 /nfs/dbraw/zinc/42/03/38/382420338.db2.gz YTLCLPXCTWPLML-INIZCTEOSA-N 0 3 261.340 2.737 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@@H]2C=CCCCCC2)C1=O ZINC000294212489 382462221 /nfs/dbraw/zinc/46/22/21/382462221.db2.gz RYLXOZIQDMGMPU-HUUCEWRRSA-N 0 3 262.397 2.594 20 30 CFEDHN CCC(C)(C)OCCNCc1ccc(C#N)c(OC)c1 ZINC000308689831 382483509 /nfs/dbraw/zinc/48/35/09/382483509.db2.gz GUHCRRUMNVOMCU-UHFFFAOYSA-N 0 3 276.380 2.862 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(Br)c(F)c1 ZINC000309559252 382489249 /nfs/dbraw/zinc/48/92/49/382489249.db2.gz KOEIJFDKGBQVPS-SCZZXKLOSA-N 0 3 288.160 2.786 20 30 CFEDHN CCOC[C@H](NCc1ccc(OC)c(C#N)c1)C(C)C ZINC000188860000 382492453 /nfs/dbraw/zinc/49/24/53/382492453.db2.gz ZIHODPNRSGCSDZ-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2cccc(C#N)c2)c1 ZINC000189004864 382522879 /nfs/dbraw/zinc/52/28/79/382522879.db2.gz UGGSZEZJUTYALK-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN C=CCOCCN1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420928819 382498827 /nfs/dbraw/zinc/49/88/27/382498827.db2.gz PXFNIFLKFZOPQD-ZIAGYGMSSA-N 0 3 283.412 2.631 20 30 CFEDHN COc1cc(CN[C@H]2CCS[C@@H]2C)ccc1C#N ZINC000310905661 382499224 /nfs/dbraw/zinc/49/92/24/382499224.db2.gz XAKDCOFQZXNFOS-MFKMUULPSA-N 0 3 262.378 2.550 20 30 CFEDHN C=CCCC(=O)Nc1cccc2c1CCN(CC)C2 ZINC000366370917 382499819 /nfs/dbraw/zinc/49/98/19/382499819.db2.gz KMBDSAAUJJIWNT-UHFFFAOYSA-N 0 3 258.365 2.969 20 30 CFEDHN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](CC)O1 ZINC000420957714 382501002 /nfs/dbraw/zinc/50/10/02/382501002.db2.gz OQMJNVOMNMWVNF-HZPDHXFCSA-N 0 3 294.439 2.976 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C2CCCC2)C1 ZINC000420958993 382501188 /nfs/dbraw/zinc/50/11/88/382501188.db2.gz CSWKKMVBNDBUOH-NVXWUHKLSA-N 0 3 291.439 2.553 20 30 CFEDHN C=C(C)CN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421024333 382506712 /nfs/dbraw/zinc/50/67/12/382506712.db2.gz PZBXKQFJDFTBEY-CHWSQXEVSA-N 0 3 253.386 2.862 20 30 CFEDHN C=C(C)CN1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421024341 382507407 /nfs/dbraw/zinc/50/74/07/382507407.db2.gz PZBXKQFJDFTBEY-STQMWFEESA-N 0 3 253.386 2.862 20 30 CFEDHN C=CCN(CC=C)CCC(=O)N1CCc2ccccc2C1 ZINC000188961470 382512893 /nfs/dbraw/zinc/51/28/93/382512893.db2.gz DBMYQMZLZOPSNA-UHFFFAOYSA-N 0 3 284.403 2.635 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)cc2)cc1 ZINC000188969341 382514006 /nfs/dbraw/zinc/51/40/06/382514006.db2.gz MOFOCYCWIZONTO-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](O)CC[C@@H]2C)cc1OC ZINC000421373517 382514031 /nfs/dbraw/zinc/51/40/31/382514031.db2.gz MQEQPHOFZSPQGE-ZFWWWQNUSA-N 0 3 291.391 2.605 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H](CCO)CC2)c1 ZINC000421398052 382516481 /nfs/dbraw/zinc/51/64/81/382516481.db2.gz NITNSHIGUDMBRZ-GFCCVEGCSA-N 0 3 264.394 2.604 20 30 CFEDHN N#Cc1cccc(CN2CCC([C@H]3CCCO3)CC2)c1 ZINC000189131633 382551175 /nfs/dbraw/zinc/55/11/75/382551175.db2.gz BVYJAVFJTFASGV-QGZVFWFLSA-N 0 3 270.376 2.949 20 30 CFEDHN CCCN(C)CC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328610587 382553071 /nfs/dbraw/zinc/55/30/71/382553071.db2.gz IOLFZAOASHIKLB-OCCSQVGLSA-N 0 3 270.417 2.736 20 30 CFEDHN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000328603400 382553167 /nfs/dbraw/zinc/55/31/67/382553167.db2.gz HSEDETJMCTUDEU-RDBSUJKOSA-N 0 3 290.411 2.670 20 30 CFEDHN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000328603400 382553170 /nfs/dbraw/zinc/55/31/70/382553170.db2.gz HSEDETJMCTUDEU-RDBSUJKOSA-N 0 3 290.411 2.670 20 30 CFEDHN C=C(C)COCCN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000358305542 382559494 /nfs/dbraw/zinc/55/94/94/382559494.db2.gz VFYAFYSCXGRFPI-SFHVURJKSA-N 0 3 297.402 2.943 20 30 CFEDHN CN(CCNC(=O)c1coc(C2CCCC2)n1)C1CC1 ZINC000328676973 382563448 /nfs/dbraw/zinc/56/34/48/382563448.db2.gz AIXUVQJCLSVAQC-UHFFFAOYSA-N 0 3 277.368 2.731 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000358321168 382566638 /nfs/dbraw/zinc/56/66/38/382566638.db2.gz QZSXEWOEQPHTTM-STQMWFEESA-N 0 3 279.380 2.946 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000367393796 382567888 /nfs/dbraw/zinc/56/78/88/382567888.db2.gz GXWHAKMQZJAOTB-OAHLLOKOSA-N 0 3 264.413 2.818 20 30 CFEDHN C[C@@H]1CN(C)C[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358331418 382572726 /nfs/dbraw/zinc/57/27/26/382572726.db2.gz SQBUZWLCVPMWRD-KBMXLJTQSA-N 0 3 257.381 2.571 20 30 CFEDHN CN(CC(C)(C)C#N)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000353294453 382534563 /nfs/dbraw/zinc/53/45/63/382534563.db2.gz JQCHGYXFPMBELT-HNNXBMFYSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000320226723 382536461 /nfs/dbraw/zinc/53/64/61/382536461.db2.gz HTFYKTCCVQXREJ-YPMHNXCESA-N 0 3 267.344 2.812 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccccc1OC(F)F ZINC000320348828 382537239 /nfs/dbraw/zinc/53/72/39/382537239.db2.gz CFKJMSUUQBJHBF-LBPRGKRZSA-N 0 3 271.307 2.705 20 30 CFEDHN C=CCC[C@H](CO)NCc1sccc1Br ZINC000320310823 382537314 /nfs/dbraw/zinc/53/73/14/382537314.db2.gz UPKCNLVLPYKWLJ-SECBINFHSA-N 0 3 290.226 2.927 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)c(OC)c1 ZINC000320311141 382537558 /nfs/dbraw/zinc/53/75/58/382537558.db2.gz VFUOQMMRMKHUTG-YPMHNXCESA-N 0 3 267.344 2.812 20 30 CFEDHN C#CCCCN(C)C[C@H](O)c1ccccc1Br ZINC000295216081 382587451 /nfs/dbraw/zinc/58/74/51/382587451.db2.gz ALJYYCQVLFMEJA-AWEZNQCLSA-N 0 3 296.208 2.828 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000295243620 382596890 /nfs/dbraw/zinc/59/68/90/382596890.db2.gz SYTIUXOTGFKCAN-GZBFAFLISA-N 0 3 261.365 2.907 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000189352337 382597480 /nfs/dbraw/zinc/59/74/80/382597480.db2.gz WOCRNWNLMMIPFZ-HUUCEWRRSA-N 0 3 261.365 2.500 20 30 CFEDHN Cn1cc(CNCc2ccc(Cl)cc2)cc1C#N ZINC000189580225 382626375 /nfs/dbraw/zinc/62/63/75/382626375.db2.gz UDTBBTFVXVQELP-UHFFFAOYSA-N 0 3 259.740 2.840 20 30 CFEDHN COc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1F ZINC000189585141 382627108 /nfs/dbraw/zinc/62/71/08/382627108.db2.gz CZXTZJRITXBDDF-LLVKDONJSA-N 0 3 287.338 2.895 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccccc1-n1ccnn1 ZINC000353621278 382581925 /nfs/dbraw/zinc/58/19/25/382581925.db2.gz LOOORSUTZKYDIK-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2c(C)ccn2C)n1 ZINC000190638663 382676067 /nfs/dbraw/zinc/67/60/67/382676067.db2.gz ZGYDUOUTRHXPIY-JTQLQIEISA-N 0 3 259.334 2.589 20 30 CFEDHN CC1(C)CC[C@@H](CNCc2ccc(C#N)s2)O1 ZINC000189713733 382636574 /nfs/dbraw/zinc/63/65/74/382636574.db2.gz NANHTTWJQCJJLT-JTQLQIEISA-N 0 3 250.367 2.667 20 30 CFEDHN Cn1cc(CN[C@@H](CCCO)c2ccccc2)cc1C#N ZINC000191177107 382694617 /nfs/dbraw/zinc/69/46/17/382694617.db2.gz BESJBYLWUYVSFP-KRWDZBQOSA-N 0 3 283.375 2.500 20 30 CFEDHN COc1ccc([C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191298533 382697974 /nfs/dbraw/zinc/69/79/74/382697974.db2.gz DFHVCBIQUNVJLV-MRXNPFEDSA-N 0 3 295.386 2.895 20 30 CFEDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000191305964 382698268 /nfs/dbraw/zinc/69/82/68/382698268.db2.gz NSJWMQIVIKFTQI-AWEZNQCLSA-N 0 3 271.364 2.665 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(-n2cccn2)cc1 ZINC000191759881 382702370 /nfs/dbraw/zinc/70/23/70/382702370.db2.gz ZNDXWMRNBJMDFI-UHFFFAOYSA-N 0 3 271.364 2.507 20 30 CFEDHN C=CCCCCCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000193308308 382718469 /nfs/dbraw/zinc/71/84/69/382718469.db2.gz HWDJSQJYMGEWRO-CQSZACIVSA-N 0 3 273.442 2.632 20 30 CFEDHN COc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000193872261 382727827 /nfs/dbraw/zinc/72/78/27/382727827.db2.gz COEUJDQFHMGDIB-UGSOOPFHSA-N 0 3 296.370 2.951 20 30 CFEDHN CCCN(CC(=O)Nc1ccc(C#N)cc1)CC(C)C ZINC000336844529 382733045 /nfs/dbraw/zinc/73/30/45/382733045.db2.gz ZVZYYEIDPRYMRG-UHFFFAOYSA-N 0 3 273.380 2.865 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000337123744 382763408 /nfs/dbraw/zinc/76/34/08/382763408.db2.gz CDSSPJCBIWCABQ-DLBZAZTESA-N 0 3 284.403 2.919 20 30 CFEDHN CC(C)C[C@H]1COCCN1CCCC1(C#N)CCOCC1 ZINC000337134917 382765999 /nfs/dbraw/zinc/76/59/99/382765999.db2.gz BOTOVJZZUKVUFJ-INIZCTEOSA-N 0 3 294.439 2.834 20 30 CFEDHN CC[C@@H]1CO[C@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337143857 382767227 /nfs/dbraw/zinc/76/72/27/382767227.db2.gz VUIXHBALIUCVDL-HUUCEWRRSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCN1CC[C@H](N(CCCCC)C(C)C)C1=O ZINC000337144256 382767336 /nfs/dbraw/zinc/76/73/36/382767336.db2.gz ZNHHQFMLUOQIKA-AWEZNQCLSA-N 0 3 252.402 2.674 20 30 CFEDHN N#Cc1cc(NC(=O)C2CCN(C3CC3)CC2)ccc1F ZINC000195453137 382768190 /nfs/dbraw/zinc/76/81/90/382768190.db2.gz QYPQKTRQCPUEJN-UHFFFAOYSA-N 0 3 287.338 2.510 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000337183187 382772859 /nfs/dbraw/zinc/77/28/59/382772859.db2.gz NERJFZFFSMHRKB-NVXWUHKLSA-N 0 3 274.408 2.596 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000337183191 382772898 /nfs/dbraw/zinc/77/28/98/382772898.db2.gz NERJFZFFSMHRKB-RDJZCZTQSA-N 0 3 274.408 2.596 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@]3(CC=CCC3)C2)C1=O ZINC000337183192 382772910 /nfs/dbraw/zinc/77/29/10/382772910.db2.gz NERJFZFFSMHRKB-WBVHZDCISA-N 0 3 274.408 2.596 20 30 CFEDHN C=CCCCCCN(C)Cc1cnc(OC)nc1C ZINC000337181455 382772920 /nfs/dbraw/zinc/77/29/20/382772920.db2.gz MOTXUWQJIYKNCI-UHFFFAOYSA-N 0 3 263.385 2.972 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H](C(C)C)CC2)C1=O ZINC000337186338 382773315 /nfs/dbraw/zinc/77/33/15/382773315.db2.gz OXUPHIIXNHGSGG-HUUCEWRRSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1OC(F)F)[C@@H]1CCOC1 ZINC000337211355 382777990 /nfs/dbraw/zinc/77/79/90/382777990.db2.gz AJOXIVCXPUWTAB-ZWNOBZJWSA-N 0 3 296.317 2.674 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@]1(O)CCC[C@H]1C ZINC000336906608 382740640 /nfs/dbraw/zinc/74/06/40/382740640.db2.gz YEFADFNBCWXRTO-PBHICJAKSA-N 0 3 275.392 2.892 20 30 CFEDHN C#CCCCN[C@@H](C)c1ccc(Br)cn1 ZINC000280003489 194663635 /nfs/dbraw/zinc/66/36/35/194663635.db2.gz GEPVCPJSCXDVBJ-JTQLQIEISA-N 0 3 267.170 2.908 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337295370 382796243 /nfs/dbraw/zinc/79/62/43/382796243.db2.gz IMCCPVJLORPYSA-UHFFFAOYSA-N 0 3 289.335 2.574 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@H]2CCCO2)cc1 ZINC000337343933 382806537 /nfs/dbraw/zinc/80/65/37/382806537.db2.gz JZCYJFYSGLFLGG-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCCC[C@@H](C)N1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337391437 382814841 /nfs/dbraw/zinc/81/48/41/382814841.db2.gz HMQIXZOTDYIIDW-KGLIPLIRSA-N 0 3 273.442 2.630 20 30 CFEDHN C=CCCC[C@H](C)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337391438 382814855 /nfs/dbraw/zinc/81/48/55/382814855.db2.gz HMQIXZOTDYIIDW-UONOGXRCSA-N 0 3 273.442 2.630 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)cc2)cs1 ZINC000225618418 382819511 /nfs/dbraw/zinc/81/95/11/382819511.db2.gz BCYHTMVHVVWPRS-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(OC)cc1CC ZINC000337490740 382830440 /nfs/dbraw/zinc/83/04/40/382830440.db2.gz DXHFAGOVDQSSCG-UHFFFAOYSA-N 0 3 263.381 2.892 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000227360931 382836712 /nfs/dbraw/zinc/83/67/12/382836712.db2.gz ZVEILANAHKRBLB-IRXDYDNUSA-N 0 3 270.376 2.685 20 30 CFEDHN CSC1(CNCc2ccc(C#N)cc2F)CC1 ZINC000227949041 382842613 /nfs/dbraw/zinc/84/26/13/382842613.db2.gz LWHBDSJSRLUSEM-UHFFFAOYSA-N 0 3 250.342 2.683 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@H](c3ccncc3)C2)c1 ZINC000577053135 382845640 /nfs/dbraw/zinc/84/56/40/382845640.db2.gz PAXVBVUCXZNJQP-KRWDZBQOSA-N 0 3 293.370 2.822 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2nccn2C)C1 ZINC000578263649 382905806 /nfs/dbraw/zinc/90/58/06/382905806.db2.gz OQEMKDQYCKDVIP-XJKSGUPXSA-N 0 3 280.375 2.842 20 30 CFEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493901717 382907110 /nfs/dbraw/zinc/90/71/10/382907110.db2.gz WNPMNFRBATZWLU-DZGCQCFKSA-N 0 3 296.773 2.917 20 30 CFEDHN C=CCCCCN1CCN(Cc2cscn2)CC1 ZINC000578310202 382908976 /nfs/dbraw/zinc/90/89/76/382908976.db2.gz LGFLZPLTUFSJJW-UHFFFAOYSA-N 0 3 265.426 2.617 20 30 CFEDHN COc1cc(CN2CCC[C@@](C)(OC)C2)ccc1C#N ZINC000230265314 382858327 /nfs/dbraw/zinc/85/83/27/382858327.db2.gz APBTUIGNSGFPQZ-MRXNPFEDSA-N 0 3 274.364 2.568 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@@H](c3cccnc3)C2)c1 ZINC000577748761 382869993 /nfs/dbraw/zinc/86/99/93/382869993.db2.gz PNXUNPCDICAPMP-QGZVFWFLSA-N 0 3 293.370 2.822 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000577818895 382871714 /nfs/dbraw/zinc/87/17/14/382871714.db2.gz WBRLTCIHXAJFRZ-WMLDXEAASA-N 0 3 297.402 2.591 20 30 CFEDHN COc1cc(CNCCOCCC(C)C)ccc1C#N ZINC000234842450 382875418 /nfs/dbraw/zinc/87/54/18/382875418.db2.gz KMLDSTADZNELAQ-UHFFFAOYSA-N 0 3 276.380 2.719 20 30 CFEDHN C[C@H]1C[C@@H](Nc2nccc(C#N)c2Cl)CCN1C ZINC000235676455 382886127 /nfs/dbraw/zinc/88/61/27/382886127.db2.gz YCYCGFCDDILCCI-ONGXEEELSA-N 0 3 264.760 2.501 20 30 CFEDHN Cn1cc([C@H](N[C@H]2CC[C@H](C#N)C2)C(C)(C)C)cn1 ZINC000442882932 382963857 /nfs/dbraw/zinc/96/38/57/382963857.db2.gz SVMKHWRWRKBHIM-UBHSHLNASA-N 0 3 260.385 2.789 20 30 CFEDHN C=CCCN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000494995019 382952059 /nfs/dbraw/zinc/95/20/59/382952059.db2.gz XYBRGTNBVYRZMP-KBPBESRZSA-N 0 3 298.427 2.567 20 30 CFEDHN COCc1cc(CN[C@H]2CC[C@H](C#N)C2)ccc1F ZINC000442764173 382953447 /nfs/dbraw/zinc/95/34/47/382953447.db2.gz CFQZHKBELHYDSI-FZMZJTMJSA-N 0 3 262.328 2.754 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCCCN1CC ZINC000495045405 382954832 /nfs/dbraw/zinc/95/48/32/382954832.db2.gz LYVKLZOIEMHYMW-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN N#CCCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000495049023 382955229 /nfs/dbraw/zinc/95/52/29/382955229.db2.gz RUJZRHLTVQLINR-CYBMUJFWSA-N 0 3 261.373 2.710 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccccc1SC ZINC000442861500 382962311 /nfs/dbraw/zinc/96/23/11/382962311.db2.gz MYXVIEIHAXNBAJ-VXGBXAGGSA-N 0 3 251.395 2.996 20 30 CFEDHN CC#CCN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578403544 382916688 /nfs/dbraw/zinc/91/66/88/382916688.db2.gz JRTXLULGFZPRGM-CABCVRRESA-N 0 3 280.774 2.837 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000494687238 382919067 /nfs/dbraw/zinc/91/90/67/382919067.db2.gz DTYVYCAXOKGKEG-ARFHVFGLSA-N 0 3 293.455 2.999 20 30 CFEDHN N#CCCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000237818884 382972023 /nfs/dbraw/zinc/97/20/23/382972023.db2.gz NWBXGGYAKANRMW-UHFFFAOYSA-N 0 3 299.277 2.980 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000444407159 382973254 /nfs/dbraw/zinc/97/32/54/382973254.db2.gz CASQYUJXQOTHDI-GYSYKLTISA-N 0 3 292.766 2.788 20 30 CFEDHN N#CC(C(=O)c1cccnc1C1CC1)c1ccccn1 ZINC000544147306 382974794 /nfs/dbraw/zinc/97/47/94/382974794.db2.gz ISLNBLDPPGBUQD-ZDUSSCGKSA-N 0 3 263.300 2.844 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)[C@H](C)CN1C ZINC000444670346 382976659 /nfs/dbraw/zinc/97/66/59/382976659.db2.gz HVGHDVQCSXJJQI-ZIAGYGMSSA-N 0 3 251.418 2.731 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000545253608 382977020 /nfs/dbraw/zinc/97/70/20/382977020.db2.gz JPFPIUWSUKYSPZ-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN N#CC(C(=O)c1ccccc1OCC1CC1)c1ccncn1 ZINC000545447350 382977510 /nfs/dbraw/zinc/97/75/10/382977510.db2.gz WXIIQSXQOVXXPL-AWEZNQCLSA-N 0 3 293.326 2.755 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CNCC2(C#N)CC2)C1 ZINC000495338973 382980904 /nfs/dbraw/zinc/98/09/04/382980904.db2.gz YNVSZEBJSOQEDA-HNNXBMFYSA-N 0 3 293.411 2.527 20 30 CFEDHN CCC[C@]1(CO)CCCN1CC#Cc1ccccc1 ZINC000444762577 382980857 /nfs/dbraw/zinc/98/08/57/382980857.db2.gz AIYPJYQGHHNNDU-QGZVFWFLSA-N 0 3 257.377 2.665 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N(CC)CCC#N)CCCC1(C)C ZINC000444780801 382981252 /nfs/dbraw/zinc/98/12/52/382981252.db2.gz FXTKWXWFXQKSNX-HNNXBMFYSA-N 0 3 291.439 2.815 20 30 CFEDHN C=CC[C@@H]1N(CC2(CS(C)(=O)=O)CC2)CCCC1(C)C ZINC000444781722 382981420 /nfs/dbraw/zinc/98/14/20/382981420.db2.gz HBGVMIIOQKWLJL-AWEZNQCLSA-N 0 3 299.480 2.878 20 30 CFEDHN C=CC[C@H]1N(C[C@H](C)CS(C)(=O)=O)CCCC1(C)C ZINC000444793176 382981855 /nfs/dbraw/zinc/98/18/55/382981855.db2.gz RHQVOTPVJVEBKT-UONOGXRCSA-N 0 3 287.469 2.734 20 30 CFEDHN C=CCCC[C@@H](C)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444794499 382982667 /nfs/dbraw/zinc/98/26/67/382982667.db2.gz KEFSCGZGOHPHTO-ZIAGYGMSSA-N 0 3 273.442 2.630 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCC1(N(C)C)CCC1 ZINC000445849299 382986453 /nfs/dbraw/zinc/98/64/53/382986453.db2.gz NDHJHYFOIBFOQN-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OC(C)C)c1 ZINC000446703163 382991113 /nfs/dbraw/zinc/99/11/13/382991113.db2.gz WZTYQJHRJMJHKR-LBPRGKRZSA-N 0 3 260.337 2.558 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNc1nc2ccccn2c1C#N ZINC000447817331 383011536 /nfs/dbraw/zinc/01/15/36/383011536.db2.gz PXVUWYDSWYKFAL-AWEZNQCLSA-N 0 3 297.406 2.738 20 30 CFEDHN C#CCCCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000495677002 383012586 /nfs/dbraw/zinc/01/25/86/383012586.db2.gz KMCBIAQQNDLINY-QGZVFWFLSA-N 0 3 292.423 2.875 20 30 CFEDHN C[C@@H](NCc1ccc2c(c1)nnn2C)c1ccc(C#N)cc1 ZINC000338381490 383013225 /nfs/dbraw/zinc/01/32/25/383013225.db2.gz WHMCXFHXNRTHKJ-GFCCVEGCSA-N 0 3 291.358 2.691 20 30 CFEDHN Cc1cc(CN2CC[C@H](Cc3cnn(C)c3)C2)ccc1C#N ZINC000579425127 383014050 /nfs/dbraw/zinc/01/40/50/383014050.db2.gz RIEUUVOENMBWNA-MRXNPFEDSA-N 0 3 294.402 2.665 20 30 CFEDHN CC#CCCNCc1cc2ccccc2nc1OC ZINC000541853173 382967102 /nfs/dbraw/zinc/96/71/02/382967102.db2.gz OXZKVEMGJGIUQK-UHFFFAOYSA-N 0 3 254.333 2.746 20 30 CFEDHN Cc1cc(CN2CCC(CC#N)CC2)ccc1-n1cncn1 ZINC000542854564 382969693 /nfs/dbraw/zinc/96/96/93/382969693.db2.gz UOVJTUVVQYYQTL-UHFFFAOYSA-N 0 3 295.390 2.701 20 30 CFEDHN CC(C)(C)OC(=O)CCCN1CCC(CC#N)CC1 ZINC000543184541 382971402 /nfs/dbraw/zinc/97/14/02/382971402.db2.gz BPUDEGODLPXYIJ-UHFFFAOYSA-N 0 3 266.385 2.734 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CN(C)C(=O)O1)c1ccccc1 ZINC000495796806 383028127 /nfs/dbraw/zinc/02/81/27/383028127.db2.gz YMTSGOHYQMFDHK-GJZGRUSLSA-N 0 3 274.364 2.734 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC2(CCCCC2)CC1 ZINC000338723862 383030073 /nfs/dbraw/zinc/03/00/73/383030073.db2.gz BNBBQPFDXRTKIV-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1CC#N)N1[C@H](C)CC[C@H]1C ZINC000580215189 383078198 /nfs/dbraw/zinc/07/81/98/383078198.db2.gz QNFNBKICTMDXHG-MGPQQGTHSA-N 0 3 285.391 2.952 20 30 CFEDHN C#CCCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000495892460 383039418 /nfs/dbraw/zinc/03/94/18/383039418.db2.gz MWLQVHZQAXAOFJ-OAHLLOKOSA-N 0 3 278.396 2.533 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@@H](F)C2)cc1 ZINC000580329783 383079122 /nfs/dbraw/zinc/07/91/22/383079122.db2.gz MYXQFVDXLHCNGZ-BZUAXINKSA-N 0 3 299.349 2.637 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000245965153 383054522 /nfs/dbraw/zinc/05/45/22/383054522.db2.gz VLCRUQBVUMFDLF-QLFBSQMISA-N 0 3 291.439 2.695 20 30 CFEDHN CN([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000579829733 383056108 /nfs/dbraw/zinc/05/61/08/383056108.db2.gz ZQYKQBQUBDLUDZ-HNNXBMFYSA-N 0 3 285.391 2.784 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CNC/C=C\CC ZINC000579824850 383056115 /nfs/dbraw/zinc/05/61/15/383056115.db2.gz WWPGGVXBEFMTSK-KQQSKNTNSA-N 0 3 275.392 2.711 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000246316264 383072218 /nfs/dbraw/zinc/07/22/18/383072218.db2.gz CVAQCLXUFXTNQP-ZMSDIMECSA-N 0 3 299.418 2.625 20 30 CFEDHN C=CCCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000338542162 383020077 /nfs/dbraw/zinc/02/00/77/383020077.db2.gz LKWLSGXBUXVCAI-UKRRQHHQSA-N 0 3 296.773 2.917 20 30 CFEDHN C=CC[C@H](CO)CNCc1ncc(C(C)(C)C)s1 ZINC000447897658 383025577 /nfs/dbraw/zinc/02/55/77/383025577.db2.gz OFYWFCCHTFODJJ-NSHDSACASA-N 0 3 268.426 2.715 20 30 CFEDHN Cc1ccc(C[C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000554819728 383145790 /nfs/dbraw/zinc/14/57/90/383145790.db2.gz DRSOTGLHIHSOED-GOEBONIOSA-N 0 3 270.376 2.936 20 30 CFEDHN CC[C@@H](CC#N)NCCCN(C)C(=O)OC(C)(C)C ZINC000496777498 383124550 /nfs/dbraw/zinc/12/45/50/383124550.db2.gz MKTBWDQRKCKLOD-LBPRGKRZSA-N 0 3 269.389 2.525 20 30 CFEDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCC1(C#N)CC1 ZINC000497085739 383130047 /nfs/dbraw/zinc/13/00/47/383130047.db2.gz VYKBZDOVCJSOMQ-OLZOCXBDSA-N 0 3 293.411 2.525 20 30 CFEDHN CN(C)[C@@H](CNc1cnccc1C#N)Cc1ccccc1 ZINC000339044093 383130346 /nfs/dbraw/zinc/13/03/46/383130346.db2.gz KSIMLNXCPUYTQT-MRXNPFEDSA-N 0 3 280.375 2.538 20 30 CFEDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)Nc1ccccc1C#N ZINC000554404516 383133781 /nfs/dbraw/zinc/13/37/81/383133781.db2.gz FMNNSKUXYIHVOK-FZMZJTMJSA-N 0 3 271.364 2.663 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000554839983 383146510 /nfs/dbraw/zinc/14/65/10/383146510.db2.gz VWAQKEREGNIFSN-PBHICJAKSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CC[C@@H](CC)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000500808915 383136269 /nfs/dbraw/zinc/13/62/69/383136269.db2.gz FDHHBWXDBLNGKB-ZIAGYGMSSA-N 0 3 280.799 2.681 20 30 CFEDHN C=CCCc1ccccc1N[C@@H]1CCN(CCOC)C1 ZINC000502309675 383138724 /nfs/dbraw/zinc/13/87/24/383138724.db2.gz MOLQOFVTLAFRNO-MRXNPFEDSA-N 0 3 274.408 2.938 20 30 CFEDHN C[C@H](C(=O)NCc1ccc(CC#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000581013730 383082272 /nfs/dbraw/zinc/08/22/72/383082272.db2.gz FICNFVNILCXOHA-QLFBSQMISA-N 0 3 299.418 2.630 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000582190390 383085963 /nfs/dbraw/zinc/08/59/63/383085963.db2.gz SIYUDXCEMVXBOI-QGZVFWFLSA-N 0 3 293.455 2.860 20 30 CFEDHN CC(C)COC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338920743 383086087 /nfs/dbraw/zinc/08/60/87/383086087.db2.gz MHVZMALUHSDVMC-ZIAGYGMSSA-N 0 3 250.386 2.816 20 30 CFEDHN CC(C)Cc1ccc([C@@H](CNCCC#N)N(C)C)cc1 ZINC000582177342 383086151 /nfs/dbraw/zinc/08/61/51/383086151.db2.gz PEPLRFIQDHHJQO-QGZVFWFLSA-N 0 3 273.424 2.991 20 30 CFEDHN CCC[C@@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246700181 383094665 /nfs/dbraw/zinc/09/46/65/383094665.db2.gz ZFLLGPLNPXXNFY-HUUCEWRRSA-N 0 3 279.428 2.507 20 30 CFEDHN COc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)ccc1O ZINC000338963174 383102314 /nfs/dbraw/zinc/10/23/14/383102314.db2.gz MKHWARSYSKMNNR-YPMHNXCESA-N 0 3 260.337 2.525 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC000448919446 383107073 /nfs/dbraw/zinc/10/70/73/383107073.db2.gz BBCIVCVSYCIMBO-QGZVFWFLSA-N 0 3 276.424 2.890 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](CC(C)C)C1 ZINC000246818891 383109207 /nfs/dbraw/zinc/10/92/07/383109207.db2.gz ADTFVJQRZMODSC-HOTGVXAUSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CCNC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000246852967 383112899 /nfs/dbraw/zinc/11/28/99/383112899.db2.gz NBTYVSMWEJUUJK-OCCSQVGLSA-N 0 3 293.436 2.616 20 30 CFEDHN C[C@H](CNc1ncccc1C#N)N1CCCC[C@H]1C ZINC000339000137 383114241 /nfs/dbraw/zinc/11/42/41/383114241.db2.gz BEFYNRNXEADFAG-CHWSQXEVSA-N 0 3 258.369 2.628 20 30 CFEDHN CN1CC[C@H](CNCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566112936 383183942 /nfs/dbraw/zinc/18/39/42/383183942.db2.gz AGPKMXVPKDQDQL-DOMZBBRYSA-N 0 3 295.789 2.975 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cncc(Br)c1 ZINC000566500610 383188123 /nfs/dbraw/zinc/18/81/23/383188123.db2.gz KMRAIVUOXMOGON-BIMULSAOSA-N 0 3 297.196 2.838 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000280539437 194875443 /nfs/dbraw/zinc/87/54/43/194875443.db2.gz CTVWHZDHVIYXFE-IUODEOHRSA-N 0 3 265.328 2.602 20 30 CFEDHN C=C(C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000339358908 383191237 /nfs/dbraw/zinc/19/12/37/383191237.db2.gz NDJFLGPVQBJARA-OAHLLOKOSA-N 0 3 256.349 2.793 20 30 CFEDHN C=CCCN(C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449268819 383192376 /nfs/dbraw/zinc/19/23/76/383192376.db2.gz JRCVUWUJLBVVGS-ZDUSSCGKSA-N 0 3 281.421 2.702 20 30 CFEDHN CCC1CCC(N(CCO)Cc2ccc(C#N)cn2)CC1 ZINC000566627757 383195733 /nfs/dbraw/zinc/19/57/33/383195733.db2.gz SFPOATFMCKHWGC-UHFFFAOYSA-N 0 3 287.407 2.716 20 30 CFEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248058548 383209539 /nfs/dbraw/zinc/20/95/39/383209539.db2.gz OSWPBADOBHOMRJ-IAGOWNOFSA-N 0 3 299.418 2.815 20 30 CFEDHN CCc1ccc([C@H](CNC[C@H](C#N)CCC#N)N(C)C)cc1 ZINC000556481500 383151901 /nfs/dbraw/zinc/15/19/01/383151901.db2.gz NYDOHOPRAVGZDV-WMZOPIPTSA-N 0 3 298.434 2.885 20 30 CFEDHN C=CCC[C@@H](NCCN1CCO[C@H](C)C1)c1ccco1 ZINC000514828130 383155962 /nfs/dbraw/zinc/15/59/62/383155962.db2.gz IEFVMTHIHNXZEJ-HUUCEWRRSA-N 0 3 278.396 2.597 20 30 CFEDHN C=CCCCCCNC(=O)NC1CCN(CC)CC1 ZINC000515309256 383159633 /nfs/dbraw/zinc/15/96/33/383159633.db2.gz BGNWJDSIMQJPJI-UHFFFAOYSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCOCCN1CCC(c2ncc(C)s2)CC1 ZINC000339126679 383159632 /nfs/dbraw/zinc/15/96/32/383159632.db2.gz KEKRYFIJOKIGJN-UHFFFAOYSA-N 0 3 266.410 2.834 20 30 CFEDHN C=CCOCCN[C@@H](c1ccccc1)C(C)(C)CO ZINC000339131755 383160643 /nfs/dbraw/zinc/16/06/43/383160643.db2.gz VRPISFGWAHJZFJ-HNNXBMFYSA-N 0 3 263.381 2.538 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC000516312760 383164577 /nfs/dbraw/zinc/16/45/77/383164577.db2.gz KAFISSCCNYWECV-DOTOQJQBSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCOCCN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000339147226 383166699 /nfs/dbraw/zinc/16/66/99/383166699.db2.gz BDQVXWOCELRLEJ-MRXNPFEDSA-N 0 3 263.356 2.992 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCN1Cc1ccccc1 ZINC000563759893 383168183 /nfs/dbraw/zinc/16/81/83/383168183.db2.gz ZQEHIIVTCYUUPU-MSOLQXFVSA-N 0 3 296.418 2.684 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248476026 383249236 /nfs/dbraw/zinc/24/92/36/383249236.db2.gz YASPNTBEPQQTLN-GDBMZVCRSA-N 0 3 279.355 2.606 20 30 CFEDHN CC(=O)N1CC[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000567208477 383252027 /nfs/dbraw/zinc/25/20/27/383252027.db2.gz CACFXNZNCRYQKO-WMZOPIPTSA-N 0 3 297.402 2.536 20 30 CFEDHN COC[C@]1(C)CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000449396101 383262426 /nfs/dbraw/zinc/26/24/26/383262426.db2.gz RJVWJQLOOUHZBD-MRXNPFEDSA-N 0 3 258.365 2.725 20 30 CFEDHN N#Cc1cccc(CN2CCNC[C@@H]2c2cccc(F)c2)c1 ZINC000567392507 383271196 /nfs/dbraw/zinc/27/11/96/383271196.db2.gz UBGYVHBJTXWNMM-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248619490 383271654 /nfs/dbraw/zinc/27/16/54/383271654.db2.gz KOFROFRXBUVBCN-NVXWUHKLSA-N 0 3 298.430 2.673 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000248625263 383272956 /nfs/dbraw/zinc/27/29/56/383272956.db2.gz NSQMMSNATZIANV-ILXRZTDVSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cccc(C#N)n1 ZINC000248388596 383232349 /nfs/dbraw/zinc/23/23/49/383232349.db2.gz FHJCYPZRMLNGCE-RHSMWYFYSA-N 0 3 292.386 2.886 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](CC)CC#N)C[C@H]1C ZINC000248396986 383234793 /nfs/dbraw/zinc/23/47/93/383234793.db2.gz QYPZVCLICVWPEN-YIYPIFLZSA-N 0 3 266.385 2.636 20 30 CFEDHN CC(C)[C@H]1C[C@H](CNCc2nc(C#N)cs2)CCO1 ZINC000449489894 383327029 /nfs/dbraw/zinc/32/70/29/383327029.db2.gz BBNRXZXJSDLMJZ-DGCLKSJQSA-N 0 3 279.409 2.556 20 30 CFEDHN CCO[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000449490711 383328933 /nfs/dbraw/zinc/32/89/33/383328933.db2.gz CLTAKDJNJZDNLH-XJKSGUPXSA-N 0 3 258.365 2.805 20 30 CFEDHN Cc1cc(NC[C@H](c2cccc(F)c2)N(C)C)c(C#N)cn1 ZINC000425200276 383338659 /nfs/dbraw/zinc/33/86/59/383338659.db2.gz KJSJNEXKIZOSTG-QGZVFWFLSA-N 0 3 298.365 2.538 20 30 CFEDHN C=CCCC[C@H](C)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634743009 383342133 /nfs/dbraw/zinc/34/21/33/383342133.db2.gz GKJNIQKKPCVHEB-UONOGXRCSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCCCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248744351 383287648 /nfs/dbraw/zinc/28/76/48/383287648.db2.gz SETJKDXVNCVRFG-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000248752900 383288453 /nfs/dbraw/zinc/28/84/53/383288453.db2.gz HKIWKXODXMLNJF-IJEWVQPXSA-N 0 3 279.428 2.551 20 30 CFEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCC(C)(C)C#N ZINC000248819326 383293087 /nfs/dbraw/zinc/29/30/87/383293087.db2.gz IXNXKSYGVHBMKY-MJBXVCDLSA-N 0 3 278.396 2.590 20 30 CFEDHN Cc1cc(C#N)ccc1CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248849986 383297436 /nfs/dbraw/zinc/29/74/36/383297436.db2.gz SWOLUZGDBCEZMC-YWVIFJGQSA-N 0 3 258.365 2.600 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)o1 ZINC000449451445 383300915 /nfs/dbraw/zinc/30/09/15/383300915.db2.gz IVJMWCGNNBXQCM-BZUAXINKSA-N 0 3 274.364 2.667 20 30 CFEDHN CC/C=C\CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000449454368 383303288 /nfs/dbraw/zinc/30/32/88/383303288.db2.gz JPSBOWHXMBMTEZ-ARJAWSKDSA-N 0 3 295.390 2.915 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@H](c2cccnc2)C1 ZINC000567798587 383317935 /nfs/dbraw/zinc/31/79/35/383317935.db2.gz SFVUFPSHGRYXAL-KRWDZBQOSA-N 0 3 293.370 2.822 20 30 CFEDHN CO[C@@](C)(CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000449487260 383326250 /nfs/dbraw/zinc/32/62/50/383326250.db2.gz XLGCJXIAMOLIPE-KRWDZBQOSA-N 0 3 283.375 2.548 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000425125462 383326729 /nfs/dbraw/zinc/32/67/29/383326729.db2.gz GLTYNQZAIMWPKR-QLFBSQMISA-N 0 3 299.418 2.950 20 30 CFEDHN CO[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[C@@H]1C ZINC000251615616 383391969 /nfs/dbraw/zinc/39/19/69/383391969.db2.gz GIQVTILMSNIAHM-HEHGZKQESA-N 0 3 258.365 2.976 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1O ZINC000426216087 383395535 /nfs/dbraw/zinc/39/55/35/383395535.db2.gz PEUBGLSFAXFJST-HZPDHXFCSA-N 0 3 277.795 2.927 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc(OCC(=O)OC)cc1 ZINC000426569943 383405394 /nfs/dbraw/zinc/40/53/94/383405394.db2.gz GMAOEIWXHNPPBB-HNNXBMFYSA-N 0 3 289.375 2.779 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(N2CCCC2)nc1 ZINC000449548665 383355702 /nfs/dbraw/zinc/35/57/02/383355702.db2.gz PLBXLFKXJRZXDI-CVEARBPZSA-N 0 3 287.407 2.505 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449690751 383360840 /nfs/dbraw/zinc/36/08/40/383360840.db2.gz RKFIIBBABHAHNV-QWHCGFSZSA-N 0 3 284.338 2.793 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000449695580 383360858 /nfs/dbraw/zinc/36/08/58/383360858.db2.gz FPZXYSSZRNCJGR-LBPRGKRZSA-N 0 3 289.297 2.828 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cn(-c2ccccc2)nc1C ZINC000449697661 383361837 /nfs/dbraw/zinc/36/18/37/383361837.db2.gz LLIBINZNUBRXMY-INIZCTEOSA-N 0 3 285.391 2.597 20 30 CFEDHN Cn1cc([C@H]2CN(CC#Cc3ccccc3)CC2(C)C)cn1 ZINC000568176054 383368116 /nfs/dbraw/zinc/36/81/16/383368116.db2.gz OUSASRODHIFHNV-GOSISDBHSA-N 0 3 293.414 2.897 20 30 CFEDHN C=CCC1(C(=O)N2C[C@H]3CCCN3C[C@H]2C)CCCC1 ZINC000449885927 383369797 /nfs/dbraw/zinc/36/97/97/383369797.db2.gz IEFVRSPSETYQSX-HUUCEWRRSA-N 0 3 276.424 2.818 20 30 CFEDHN Cc1ccc(NC(=O)c2ccc(C#N)o2)c(CN(C)C)c1 ZINC000340342312 383414332 /nfs/dbraw/zinc/41/43/32/383414332.db2.gz XMNHNAWKNIPFQK-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN CC(C)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471044896 383376601 /nfs/dbraw/zinc/37/66/01/383376601.db2.gz VOFWVCXEXOJFEC-IAGOWNOFSA-N 0 3 295.386 2.745 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000450104186 383380479 /nfs/dbraw/zinc/38/04/79/383380479.db2.gz LETBOQITMFDVTE-ZBFHGGJFSA-N 0 3 288.391 2.586 20 30 CFEDHN C=CCCCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000472840446 383381246 /nfs/dbraw/zinc/38/12/46/383381246.db2.gz KXPKBEAIQYYUHO-HNNXBMFYSA-N 0 3 279.428 2.613 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)C[C@H](C)C(C)(C)C)CC1 ZINC000634864387 383386107 /nfs/dbraw/zinc/38/61/07/383386107.db2.gz JFHMQELWJICYGG-AWEZNQCLSA-N 0 3 295.471 2.960 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@H]1CCNC(=O)CC1 ZINC000450220778 383386529 /nfs/dbraw/zinc/38/65/29/383386529.db2.gz LCNJTSXDNRUAKL-ZDUSSCGKSA-N 0 3 278.421 2.652 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000475635233 383387239 /nfs/dbraw/zinc/38/72/39/383387239.db2.gz BEAJPOPYVALPOM-HOCLYGCPSA-N 0 3 278.440 2.969 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)c[nH]1 ZINC000568698318 383427369 /nfs/dbraw/zinc/42/73/69/383427369.db2.gz YQOLVKHTAVQMNR-UHFFFAOYSA-N 0 3 297.362 2.556 20 30 CFEDHN CO[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000340485027 383438341 /nfs/dbraw/zinc/43/83/41/383438341.db2.gz AEYIGUUFTHAVQN-CVEARBPZSA-N 0 3 256.349 2.560 20 30 CFEDHN CO[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000340485032 383438884 /nfs/dbraw/zinc/43/88/84/383438884.db2.gz AEYIGUUFTHAVQN-HOTGVXAUSA-N 0 3 256.349 2.560 20 30 CFEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccncc1F ZINC000340528632 383459618 /nfs/dbraw/zinc/45/96/18/383459618.db2.gz BILCZXWXQUVTEW-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@H]1CC[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000429579909 383549956 /nfs/dbraw/zinc/54/99/56/383549956.db2.gz NDNKCTXIHLWZIH-WFASDCNBSA-N 0 3 271.364 2.617 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CSC)C1 ZINC000429279257 383509140 /nfs/dbraw/zinc/50/91/40/383509140.db2.gz ZXYQJPYIEKPPGF-HUUCEWRRSA-N 0 3 298.496 2.875 20 30 CFEDHN CC[C@H]1CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000429287850 383510137 /nfs/dbraw/zinc/51/01/37/383510137.db2.gz VTVACEOITNDFCY-INIZCTEOSA-N 0 3 280.375 2.943 20 30 CFEDHN C=CCN(CCCC(=O)c1ccc(F)cc1)CCOC ZINC000450838402 383514708 /nfs/dbraw/zinc/51/47/08/383514708.db2.gz OSCFERAKXXBGRS-UHFFFAOYSA-N 0 3 279.355 2.923 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccco2)CC1 ZINC000528447276 383540021 /nfs/dbraw/zinc/54/00/21/383540021.db2.gz FWIHZCIAJXWQBT-CYBMUJFWSA-N 0 3 276.380 2.540 20 30 CFEDHN C=CCN1CCC(NC(=O)CC2(c3ccccc3)CC2)CC1 ZINC000528451324 383541110 /nfs/dbraw/zinc/54/11/10/383541110.db2.gz XBOBPNLTAZOTQK-UHFFFAOYSA-N 0 3 298.430 2.875 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCCNC(=O)C1CCC1 ZINC000429538326 383542047 /nfs/dbraw/zinc/54/20/47/383542047.db2.gz OTYXVRHFDDKIEC-AWEZNQCLSA-N 0 3 299.418 2.857 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000429853050 383573725 /nfs/dbraw/zinc/57/37/25/383573725.db2.gz YGNVLNQBUCOWJG-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN Cc1cc(CN[C@@H]2CCO[C@H]2C2CC2)ccc1C#N ZINC000488996465 383589703 /nfs/dbraw/zinc/58/97/03/383589703.db2.gz MOLWNZJEVHIRMT-CVEARBPZSA-N 0 3 256.349 2.524 20 30 CFEDHN CC(=O)NCCc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430732438 383597326 /nfs/dbraw/zinc/59/73/26/383597326.db2.gz BCSXHUHGNFSOKZ-CQSZACIVSA-N 0 3 299.418 2.710 20 30 CFEDHN CN(CCOc1ccccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000429710171 383562432 /nfs/dbraw/zinc/56/24/32/383562432.db2.gz VCKQJVVUUFWSSD-QWHCGFSZSA-N 0 3 262.328 2.829 20 30 CFEDHN Cc1nc(N(C)[C@@H]2CCN(C(C)C)C2)c(Cl)cc1C#N ZINC000450950514 383565265 /nfs/dbraw/zinc/56/52/65/383565265.db2.gz CUQDZFMTQLSDFR-CYBMUJFWSA-N 0 3 292.814 2.834 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nccs1 ZINC000280892141 195016972 /nfs/dbraw/zinc/01/69/72/195016972.db2.gz QEVYSWOXRRXBBJ-UTUOFQBUSA-N 0 3 252.383 2.775 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528717697 383613340 /nfs/dbraw/zinc/61/33/40/383613340.db2.gz FTZNLSJHOFBJMW-UHFFFAOYSA-N 0 3 289.379 2.599 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451490996 383626957 /nfs/dbraw/zinc/62/69/57/383626957.db2.gz DURJUQXFGXBJRV-OAGGEKHMSA-N 0 3 286.350 2.745 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC000635866374 383657436 /nfs/dbraw/zinc/65/74/36/383657436.db2.gz DRZAVYSIAVKHQX-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN CCO[C@@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000451521397 383633694 /nfs/dbraw/zinc/63/36/94/383633694.db2.gz DOTLRNKNJWVUFH-RHSMWYFYSA-N 0 3 288.391 2.684 20 30 CFEDHN C=C(C)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528777820 383635507 /nfs/dbraw/zinc/63/55/07/383635507.db2.gz DUOJBHAMZFNNMD-UHFFFAOYSA-N 0 3 256.349 2.730 20 30 CFEDHN COc1cccc([C@H]2CN(C(=O)C(C)C#N)CC2(C)C)c1 ZINC000529729445 383751270 /nfs/dbraw/zinc/75/12/70/383751270.db2.gz WAHNSXYLYKDBSK-IUODEOHRSA-N 0 3 286.375 2.807 20 30 CFEDHN N#CCCC[C@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC000433013146 383753032 /nfs/dbraw/zinc/75/30/32/383753032.db2.gz NKONYVWVIJEWPI-KRWDZBQOSA-N 0 3 299.418 2.927 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2ccccc2)C1 ZINC000433048525 383754044 /nfs/dbraw/zinc/75/40/44/383754044.db2.gz NMNNDCMJZNPLDQ-GOEBONIOSA-N 0 3 272.392 2.557 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000435740472 383779074 /nfs/dbraw/zinc/77/90/74/383779074.db2.gz KJEJKHQPJLKHMW-BLLLJJGKSA-N 0 3 287.363 2.741 20 30 CFEDHN C=CC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000452777059 383758561 /nfs/dbraw/zinc/75/85/61/383758561.db2.gz TZVWKVXYDXZTPH-OAHLLOKOSA-N 0 3 281.359 2.569 20 30 CFEDHN CN(C)[C@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 ZINC000433343943 383761367 /nfs/dbraw/zinc/76/13/67/383761367.db2.gz PKXFGDATEPZJEF-QGZVFWFLSA-N 0 3 299.418 2.974 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000453098641 383764898 /nfs/dbraw/zinc/76/48/98/383764898.db2.gz JSDGYCKQWKTHEX-HUUCEWRRSA-N 0 3 274.339 2.745 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433961597 383765168 /nfs/dbraw/zinc/76/51/68/383765168.db2.gz VISRKGJDOFRDFS-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434753060 383771444 /nfs/dbraw/zinc/77/14/44/383771444.db2.gz PICJPZXJWWTOGS-MAUKXSAKSA-N 0 3 286.419 2.649 20 30 CFEDHN C[C@@H](NCC[C@H](C)CCO)c1ccc(C#N)cc1F ZINC000453235809 383811470 /nfs/dbraw/zinc/81/14/70/383811470.db2.gz NFDYEJFXFWMUTR-NWDGAFQWSA-N 0 3 264.344 2.757 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C(=O)OC)co1 ZINC000280968808 195050004 /nfs/dbraw/zinc/05/00/04/195050004.db2.gz ZWBGZCDYPZPFMQ-JMSVASOKSA-N 0 3 293.363 2.698 20 30 CFEDHN COc1cc(CN[C@@H](Cn2cccn2)C(C)C)ccc1C#N ZINC000453258247 383818676 /nfs/dbraw/zinc/81/86/76/383818676.db2.gz SPLFDEIOZOCLLV-INIZCTEOSA-N 0 3 298.390 2.578 20 30 CFEDHN CC1=CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000436264196 383794682 /nfs/dbraw/zinc/79/46/82/383794682.db2.gz WBCJDELQPCXLRR-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN C=CCOc1ccc(CNC[C@](C)(O)CCC)cc1OC ZINC000264874425 383795061 /nfs/dbraw/zinc/79/50/61/383795061.db2.gz SIIYQYODIJCQNN-QGZVFWFLSA-N 0 3 293.407 2.901 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NCC2(C#N)CC2)C1 ZINC000572580421 383795157 /nfs/dbraw/zinc/79/51/57/383795157.db2.gz DMSHMRHZUZTGCR-ZBFHGGJFSA-N 0 3 269.392 2.715 20 30 CFEDHN C=CCOc1ccc(CNC[C@@](C)(O)CCC)cc1OC ZINC000264874422 383795346 /nfs/dbraw/zinc/79/53/46/383795346.db2.gz SIIYQYODIJCQNN-KRWDZBQOSA-N 0 3 293.407 2.901 20 30 CFEDHN CCN1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265267871 383879388 /nfs/dbraw/zinc/87/93/88/383879388.db2.gz UGXCYWIOKSZWNF-UHFFFAOYSA-N 0 3 298.312 2.504 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCN(C)C2)CCCCC1 ZINC000572947810 383843795 /nfs/dbraw/zinc/84/37/95/383843795.db2.gz KTVROEOKGCVLTH-HNNXBMFYSA-N 0 3 278.440 2.971 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3nc(C)oc3c2)CC1 ZINC000280991898 195060506 /nfs/dbraw/zinc/06/05/06/195060506.db2.gz SYWOUEZFFHBISC-UHFFFAOYSA-N 0 3 299.374 2.516 20 30 CFEDHN COC(=O)CC1(NCC2(C#N)CCC2)CCCCC1 ZINC000573072003 383866566 /nfs/dbraw/zinc/86/65/66/383866566.db2.gz ZCHAIKRODHUJMF-UHFFFAOYSA-N 0 3 264.369 2.536 20 30 CFEDHN C=C(C)CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640563279 383829985 /nfs/dbraw/zinc/82/99/85/383829985.db2.gz UTJQCDHUSJZXMN-CHWSQXEVSA-N 0 3 273.298 2.687 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000437616076 383907514 /nfs/dbraw/zinc/90/75/14/383907514.db2.gz KFYTWZIVLJXTDD-HLLBOEOZSA-N 0 3 296.455 2.594 20 30 CFEDHN CC[C@H](C(=O)Nc1cc(C#N)ccc1OC)N(CC)CC ZINC000265435059 383915090 /nfs/dbraw/zinc/91/50/90/383915090.db2.gz DUGFRBCMXHCRAA-CQSZACIVSA-N 0 3 289.379 2.626 20 30 CFEDHN C=CCCCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000573436157 383927651 /nfs/dbraw/zinc/92/76/51/383927651.db2.gz GMBWMPSVCPMCES-VXGBXAGGSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCCCCN1CCCN(c2nc(C)ns2)CC1 ZINC000573196615 383888252 /nfs/dbraw/zinc/88/82/52/383888252.db2.gz WHDIFJHHRUCPQO-UHFFFAOYSA-N 0 3 280.441 2.715 20 30 CFEDHN N#Cc1cccc(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000265586541 383951700 /nfs/dbraw/zinc/95/17/00/383951700.db2.gz XKKJNCWRYSSVSA-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN O[C@H](CNCC#Cc1cccc(F)c1)C1CCCCC1 ZINC000573599259 383961079 /nfs/dbraw/zinc/96/10/79/383961079.db2.gz ZKVQLFFYIMRMDI-QGZVFWFLSA-N 0 3 275.367 2.708 20 30 CFEDHN C=CCCC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000265636624 383965043 /nfs/dbraw/zinc/96/50/43/383965043.db2.gz OTVDYUZFMMVDQK-UHFFFAOYSA-N 0 3 276.380 2.840 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)C1(C#N)CC(C)C1 ZINC000532072799 383969482 /nfs/dbraw/zinc/96/94/82/383969482.db2.gz RPNFDEMJCDLQKH-CKDBGZEDSA-N 0 3 291.439 2.697 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)C1(C#N)CC(C)C1 ZINC000532072800 383969718 /nfs/dbraw/zinc/96/97/18/383969718.db2.gz RPNFDEMJCDLQKH-ISXOHVOVSA-N 0 3 291.439 2.697 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3ccncc3)C2)cc1 ZINC000573905581 384009917 /nfs/dbraw/zinc/00/99/17/384009917.db2.gz IYYJBMXNGSNILZ-KRWDZBQOSA-N 0 3 263.344 2.943 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000573917226 384012143 /nfs/dbraw/zinc/01/21/43/384012143.db2.gz PHSYVNFJAPBEQQ-MAZHCROVSA-N 0 3 256.349 2.730 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438688817 384028209 /nfs/dbraw/zinc/02/82/09/384028209.db2.gz XFMVHZMSWLACOG-VHDGCEQUSA-N 0 3 256.349 2.674 20 30 CFEDHN CC1CCC(O)(CN(C)Cc2ccc(C#N)cc2)CC1 ZINC000266023357 384057099 /nfs/dbraw/zinc/05/70/99/384057099.db2.gz QKBKLSWSCWPEAE-UHFFFAOYSA-N 0 3 272.392 2.931 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000266041242 384062900 /nfs/dbraw/zinc/06/29/00/384062900.db2.gz VWMRWEFRYHMSJX-HIFRSBDPSA-N 0 3 260.381 2.664 20 30 CFEDHN N#Cc1cnn2cc(CN3CCC4(CCCC4)CC3)cnc12 ZINC000574324471 384078738 /nfs/dbraw/zinc/07/87/38/384078738.db2.gz PSDFUIZZXIKIOQ-UHFFFAOYSA-N 0 3 295.390 2.757 20 30 CFEDHN C=CCC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000646913642 384096877 /nfs/dbraw/zinc/09/68/77/384096877.db2.gz KPKWFLLPXMSNGU-FGTMMUONSA-N 0 3 298.430 2.899 20 30 CFEDHN CC[C@H](F)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000440703021 384128178 /nfs/dbraw/zinc/12/81/78/384128178.db2.gz GIXJIZIENOAFCX-KRWDZBQOSA-N 0 3 289.398 2.814 20 30 CFEDHN C=CCCC[C@@H](C)n1cc([C@@H](N)C2CCOCC2)nn1 ZINC000641232591 384140016 /nfs/dbraw/zinc/14/00/16/384140016.db2.gz HCOKYFXGWIXDPI-DOMZBBRYSA-N 0 3 278.400 2.622 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000574912923 384163893 /nfs/dbraw/zinc/16/38/93/384163893.db2.gz RLVIDOVKGSMHQW-WMLDXEAASA-N 0 3 297.402 2.704 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc2oc(=O)n(C)c2c1 ZINC000637837620 384212560 /nfs/dbraw/zinc/21/25/60/384212560.db2.gz JFCPMORJSRSWJL-UHFFFAOYSA-N 0 3 260.337 2.530 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2Cc3ccccc3C2)CC1 ZINC000277154704 384216591 /nfs/dbraw/zinc/21/65/91/384216591.db2.gz BLNMITYXEVPJLR-UHFFFAOYSA-N 0 3 298.430 2.558 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ccc(Cl)c(C#N)n1 ZINC000267170588 384313410 /nfs/dbraw/zinc/31/34/10/384313410.db2.gz BZPSCBHELKREPS-NSHDSACASA-N 0 3 278.787 2.893 20 30 CFEDHN CC[C@@H](C)CN(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000267374060 384371741 /nfs/dbraw/zinc/37/17/41/384371741.db2.gz SNWFTIPQGJUTPL-CQSZACIVSA-N 0 3 287.407 2.542 20 30 CFEDHN C=CCC[C@@H](CO)NCc1nccc2ccccc21 ZINC000641760023 384327040 /nfs/dbraw/zinc/32/70/40/384327040.db2.gz LRVMYHIJBZBAOQ-AWEZNQCLSA-N 0 3 256.349 2.652 20 30 CFEDHN C=CCC[C@@H](CO)NCc1c(F)cccc1CC ZINC000641760384 384327284 /nfs/dbraw/zinc/32/72/84/384327284.db2.gz QZNDXCJPBAMLKT-ZDUSSCGKSA-N 0 3 251.345 2.805 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc(C)cc(Cl)c1 ZINC000641766853 384332626 /nfs/dbraw/zinc/33/26/26/384332626.db2.gz CGBDUSIELUXNAC-AWEZNQCLSA-N 0 3 251.757 2.512 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000641767400 384333374 /nfs/dbraw/zinc/33/33/74/384333374.db2.gz KEOUVGSSINDZJL-VIFPVBQESA-N 0 3 277.311 2.631 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)CC#CC)cc1Cl ZINC000641768607 384334830 /nfs/dbraw/zinc/33/48/30/384334830.db2.gz DFOCQGFUQQZXQA-CQSZACIVSA-N 0 3 293.794 2.769 20 30 CFEDHN C[C@H]1CN(CCCNc2cccc(F)c2C#N)CCCO1 ZINC000277847238 384422862 /nfs/dbraw/zinc/42/28/62/384422862.db2.gz CDGVLAFRYWIXEB-ZDUSSCGKSA-N 0 3 291.370 2.610 20 30 CFEDHN Clc1ccc(C#CCN2CCN(C3CCC3)CC2)cc1 ZINC000267384584 384375887 /nfs/dbraw/zinc/37/58/87/384375887.db2.gz NISMGXNXPLYGHA-UHFFFAOYSA-N 0 3 288.822 2.862 20 30 CFEDHN C[C@H](CNc1ccc(C#N)nc1)N1CCc2ccccc2C1 ZINC000267405786 384382821 /nfs/dbraw/zinc/38/28/21/384382821.db2.gz QPOQTKNDKJYVCB-CQSZACIVSA-N 0 3 292.386 2.812 20 30 CFEDHN C#CCN(CC)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000267648667 384432655 /nfs/dbraw/zinc/43/26/55/384432655.db2.gz SZNWDRLDEQOPQM-UHFFFAOYSA-N 0 3 276.405 2.915 20 30 CFEDHN C=CCN1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000267683914 384442235 /nfs/dbraw/zinc/44/22/35/384442235.db2.gz GVKNMZVTFMCMMN-ZDUSSCGKSA-N 0 3 295.452 2.544 20 30 CFEDHN COc1cc([C@@H](C)NCCc2cccc(C#N)c2)c(F)cn1 ZINC000348330201 220291128 /nfs/dbraw/zinc/29/11/28/220291128.db2.gz RZPUUQSGIVRASY-GFCCVEGCSA-N 0 3 299.349 2.994 20 30 CFEDHN C=CCN(CCC1OCCCO1)Cc1cccc(C#N)c1 ZINC000267964432 384498680 /nfs/dbraw/zinc/49/86/80/384498680.db2.gz UEANEQGRQNFESQ-UHFFFAOYSA-N 0 3 286.375 2.699 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCCC2CC2)CC1 ZINC000643199650 384508551 /nfs/dbraw/zinc/50/85/51/384508551.db2.gz YNNRWIRNRVPKGK-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289387028 197324130 /nfs/dbraw/zinc/32/41/30/197324130.db2.gz NCQWTHSGLIUIEV-UONOGXRCSA-N 0 3 258.365 2.632 20 30 CFEDHN C#C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)C(C)C ZINC000289400651 197329879 /nfs/dbraw/zinc/32/98/79/197329879.db2.gz OPSPDKMVXRHMCX-OAHLLOKOSA-N 0 3 253.349 2.824 20 30 CFEDHN C#C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)C(C)C ZINC000289400651 197329881 /nfs/dbraw/zinc/32/98/81/197329881.db2.gz OPSPDKMVXRHMCX-OAHLLOKOSA-N 0 3 253.349 2.824 20 30 CFEDHN C#CCOc1ccccc1CNCC[C@H](O)c1ccccc1 ZINC000289373450 197317113 /nfs/dbraw/zinc/31/71/13/197317113.db2.gz BLNOYALAWQLUNV-SFHVURJKSA-N 0 3 295.382 2.912 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000289338523 197301761 /nfs/dbraw/zinc/30/17/61/197301761.db2.gz HONUMDOMPQTCIR-AWEZNQCLSA-N 0 3 296.370 2.781 20 30 CFEDHN C#Cc1ccc(CN2CC=C(c3ccnn3C)CC2)cc1 ZINC000289320757 197295321 /nfs/dbraw/zinc/29/53/21/197295321.db2.gz FQRPLLCFGLNVJX-UHFFFAOYSA-N 0 3 277.371 2.691 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1ncc(C)o1)C(C)C ZINC000638356253 384578789 /nfs/dbraw/zinc/57/87/89/384578789.db2.gz FWYNCZIDQQDDMF-HNNXBMFYSA-N 0 3 277.412 2.771 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1snnc1C)C(C)C ZINC000638356659 384579473 /nfs/dbraw/zinc/57/94/73/384579473.db2.gz JUKVLLBVIVIDGL-AWEZNQCLSA-N 0 3 294.468 2.635 20 30 CFEDHN C=CCCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000279545296 384672685 /nfs/dbraw/zinc/67/26/85/384672685.db2.gz MEHRGXCKRVIEHS-JKSUJKDBSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCCOCCN[C@H](C)[C@@H](OC)c1ccccc1 ZINC000279679866 384720478 /nfs/dbraw/zinc/72/04/78/384720478.db2.gz HAPJFNKJFNKBKT-GDBMZVCRSA-N 0 3 263.381 2.945 20 30 CFEDHN C#CCn1ccc(CN(CC)CC2CCCCC2)n1 ZINC000279820628 384774491 /nfs/dbraw/zinc/77/44/91/384774491.db2.gz YNHHDKFDXXLQFD-UHFFFAOYSA-N 0 3 259.397 2.919 20 30 CFEDHN C=CCN(C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279829520 384777736 /nfs/dbraw/zinc/77/77/36/384777736.db2.gz YYOXBSBAYKKGAR-QGZVFWFLSA-N 0 3 255.361 2.861 20 30 CFEDHN C=CCCCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000279716841 384734366 /nfs/dbraw/zinc/73/43/66/384734366.db2.gz INVLWMOBFISBRO-GFCCVEGCSA-N 0 3 297.196 2.531 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638671963 384825830 /nfs/dbraw/zinc/82/58/30/384825830.db2.gz VPDKNWMBFONGSQ-GFCCVEGCSA-N 0 3 274.364 2.709 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)Cc2cccs2)nn1 ZINC000643902262 384786398 /nfs/dbraw/zinc/78/63/98/384786398.db2.gz LPRIJIYCEPVGQK-GFCCVEGCSA-N 0 3 276.409 2.637 20 30 CFEDHN O[C@H](CNCC#Cc1ccccc1)C1CCCCC1 ZINC000644514903 384913184 /nfs/dbraw/zinc/91/31/84/384913184.db2.gz JOBYYGMIKGAVDH-QGZVFWFLSA-N 0 3 257.377 2.569 20 30 CFEDHN N#Cc1ccncc1N1CCCN(Cc2ccccc2)CC1 ZINC000269978593 384929678 /nfs/dbraw/zinc/92/96/78/384929678.db2.gz QJQDNSHSTUVAFT-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN C[C@H](C(=O)N1CCc2ccc(C#N)cc21)N1[C@H](C)CC[C@H]1C ZINC000270195658 385011387 /nfs/dbraw/zinc/01/13/87/385011387.db2.gz DIPRNTZEUOWNTF-MGPQQGTHSA-N 0 3 297.402 2.709 20 30 CFEDHN C=CCOCCNC[C@@H](OC(C)C)c1ccccc1 ZINC000638969029 385061597 /nfs/dbraw/zinc/06/15/97/385061597.db2.gz LTFBGOLJADRCNN-MRXNPFEDSA-N 0 3 263.381 2.945 20 30 CFEDHN C[C@@H](CO)N(CC#Cc1ccccc1)CC1CCC1 ZINC000280584384 385072495 /nfs/dbraw/zinc/07/24/95/385072495.db2.gz TVBIXDUSLNQJBB-HNNXBMFYSA-N 0 3 257.377 2.521 20 30 CFEDHN C#CCCN1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000270461360 385110950 /nfs/dbraw/zinc/11/09/50/385110950.db2.gz AHAIJBTVJJLCKS-UHFFFAOYSA-N 0 3 289.375 2.570 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc2c1OCCO2 ZINC000280699564 385118686 /nfs/dbraw/zinc/11/86/86/385118686.db2.gz SHDBBESYGHUCPE-HOCLYGCPSA-N 0 3 289.375 2.529 20 30 CFEDHN C=C(Br)CN[C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000270450633 385107777 /nfs/dbraw/zinc/10/77/77/385107777.db2.gz MYFHTBWHODKFDZ-PWSUYJOCSA-N 0 3 290.201 2.607 20 30 CFEDHN COc1ccc([C@@H](CO)N(C)CCC(C)(C)C#N)cc1 ZINC000270665176 385181587 /nfs/dbraw/zinc/18/15/87/385181587.db2.gz PXQDTRWJDCVQPL-OAHLLOKOSA-N 0 3 276.380 2.600 20 30 CFEDHN CCCN(CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000270678889 385187444 /nfs/dbraw/zinc/18/74/44/385187444.db2.gz CCCLRDAWAXEPND-NSHDSACASA-N 0 3 277.368 2.827 20 30 CFEDHN C=CCOCCN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000645113777 385196718 /nfs/dbraw/zinc/19/67/18/385196718.db2.gz QNFSQOSCRLSMQT-MNOVXSKESA-N 0 3 251.292 2.852 20 30 CFEDHN CCC#C[C@H](C)N1CCC(CO)(c2ccccc2)CC1 ZINC000645011172 385162994 /nfs/dbraw/zinc/16/29/94/385162994.db2.gz MDOBOSZFIPVAKL-INIZCTEOSA-N 0 3 271.404 2.814 20 30 CFEDHN C=CCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280930900 385180469 /nfs/dbraw/zinc/18/04/69/385180469.db2.gz VCZCYLHVRLHWJD-UKRRQHHQSA-N 0 3 281.421 2.635 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000336603266 533108880 /nfs/dbraw/zinc/10/88/80/533108880.db2.gz AURAQVLHPMANLF-QMMMGPOBSA-N 0 3 254.692 2.597 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)[C@H]2C)C1=O ZINC000282138831 385222614 /nfs/dbraw/zinc/22/26/14/385222614.db2.gz ZIWBHOGGSFFYOD-PVAVHDDUSA-N 0 3 284.403 2.651 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000282138452 385222878 /nfs/dbraw/zinc/22/28/78/385222878.db2.gz ZHZNYXCJXHRGCN-XIRDDKMYSA-N 0 3 284.403 2.651 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@H](CC)c2ccccc2)C1=O ZINC000282145858 385226774 /nfs/dbraw/zinc/22/67/74/385226774.db2.gz ZYKQZQOYTXJDMA-CVEARBPZSA-N 0 3 272.392 2.856 20 30 CFEDHN C#C[C@@H](NCc1cnn(Cc2ccccc2)c1)C(C)C ZINC000289080960 197230557 /nfs/dbraw/zinc/23/05/57/197230557.db2.gz AVOVRNVOBZNCDR-QGZVFWFLSA-N 0 3 267.376 2.679 20 30 CFEDHN C#CCCOc1ccc(CN(CC)CCOC)cc1 ZINC000271061338 385324145 /nfs/dbraw/zinc/32/41/45/385324145.db2.gz XNIDZVIEFUOGOJ-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncnc(CC)c2F)CC1 ZINC000271044563 385317325 /nfs/dbraw/zinc/31/73/25/385317325.db2.gz GKLRVKWKBZFJHU-UHFFFAOYSA-N 0 3 278.375 2.631 20 30 CFEDHN C#CCN(CC)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282758188 385383753 /nfs/dbraw/zinc/38/37/53/385383753.db2.gz HXHXTAZMXWEJBM-UHFFFAOYSA-N 0 3 267.376 2.851 20 30 CFEDHN C#CCCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271068386 385327884 /nfs/dbraw/zinc/32/78/84/385327884.db2.gz VBLWROIFRZEBIT-FZKQIMNGSA-N 0 3 263.406 2.830 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000271955863 385410515 /nfs/dbraw/zinc/41/05/15/385410515.db2.gz PXGUKIFFSCSIKG-IAQYHMDHSA-N 0 3 288.322 2.983 20 30 CFEDHN Cc1nccn1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271967806 385413966 /nfs/dbraw/zinc/41/39/66/385413966.db2.gz SZHFZOPRRVQFQV-NSHDSACASA-N 0 3 272.327 2.553 20 30 CFEDHN CC(C)C[C@H]1C[C@H](NCc2ccc(C#N)o2)CCO1 ZINC000271973506 385415527 /nfs/dbraw/zinc/41/55/27/385415527.db2.gz IITCNJFMDWIWSI-DOMZBBRYSA-N 0 3 262.353 2.835 20 30 CFEDHN C[C@]1(CCCO)CCCN1CC#Cc1ccc(F)cc1 ZINC000272003502 385422958 /nfs/dbraw/zinc/42/29/58/385422958.db2.gz IDRMQHIXGJKDPQ-QGZVFWFLSA-N 0 3 275.367 2.804 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@]1(C)CCCO ZINC000272060204 385438775 /nfs/dbraw/zinc/43/87/75/385438775.db2.gz WLIMIUIUUXANMU-QGZVFWFLSA-N 0 3 288.391 2.694 20 30 CFEDHN CS[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000272021263 385427902 /nfs/dbraw/zinc/42/79/02/385427902.db2.gz LOGDOKSVSIHPLK-DAXOMENPSA-N 0 3 289.448 2.597 20 30 CFEDHN C#CCCN1CCN(CCCc2ccccc2C)CC1 ZINC000272039946 385433234 /nfs/dbraw/zinc/43/32/34/385433234.db2.gz QXFLOYLBEGHYLY-UHFFFAOYSA-N 0 3 270.420 2.569 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000283091176 385434750 /nfs/dbraw/zinc/43/47/50/385434750.db2.gz LHEXAZQFKQQJPJ-FRRDWIJNSA-N 0 3 274.364 2.797 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@H]1CCCCO1 ZINC000272057529 385437335 /nfs/dbraw/zinc/43/73/35/385437335.db2.gz ZGVGCIIGUCXBDG-GXFFZTMASA-N 0 3 250.367 2.667 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn2cc(C)ccc2n1 ZINC000283813880 385503018 /nfs/dbraw/zinc/50/30/18/385503018.db2.gz DIILEFMIDHIFQF-YOEHRIQHSA-N 0 3 285.391 2.714 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H](C)CN2CCC[C@@H](C)C2)n1 ZINC000286230926 385575566 /nfs/dbraw/zinc/57/55/66/385575566.db2.gz HMTMKCYBAUTBIH-TZMCWYRMSA-N 0 3 272.396 2.794 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000285817730 385557577 /nfs/dbraw/zinc/55/75/77/385557577.db2.gz WWXDIFLSFYSPDB-QGPMSJSTSA-N 0 3 299.418 2.705 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000285918998 385558587 /nfs/dbraw/zinc/55/85/87/385558587.db2.gz LERCDNVRGRKTID-PBHICJAKSA-N 0 3 287.407 2.563 20 30 CFEDHN CC[C@@H](CNc1nc(Cl)c(C#N)s1)N1CCCC1 ZINC000286126338 385561919 /nfs/dbraw/zinc/56/19/19/385561919.db2.gz MPKZINHBAFRZLJ-VIFPVBQESA-N 0 3 284.816 2.954 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c(F)cc(C#N)cc1F ZINC000286184664 385568956 /nfs/dbraw/zinc/56/89/56/385568956.db2.gz ASLURCBWNWNHRB-DGCLKSJQSA-N 0 3 291.345 2.899 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)[C@@H]1CCC[C@H]1O ZINC000286382927 385605087 /nfs/dbraw/zinc/60/50/87/385605087.db2.gz GRQBVOWSKYBSOL-HUUCEWRRSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CCC[C@H](NC[C@H](O)C1CCOCC1)c1ccco1 ZINC000286314615 385587277 /nfs/dbraw/zinc/58/72/77/385587277.db2.gz XQWULPYFZRHVEW-GJZGRUSLSA-N 0 3 279.380 2.664 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000288731709 197154046 /nfs/dbraw/zinc/15/40/46/197154046.db2.gz GSCMFCWZCYSMLJ-QGZVFWFLSA-N 0 3 288.391 2.551 20 30 CFEDHN C#CCOc1ccc(CN2CCCSCC2)cc1 ZINC000272837583 385629639 /nfs/dbraw/zinc/62/96/39/385629639.db2.gz QTCGWVAKOMJQCB-UHFFFAOYSA-N 0 3 261.390 2.638 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC[C@H](C)OC)C(C)C ZINC000272898549 385645780 /nfs/dbraw/zinc/64/57/80/385645780.db2.gz BFSUSQWHQQPIGQ-HOTGVXAUSA-N 0 3 296.455 2.616 20 30 CFEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C#N)cc4F)[C@H]1[C@H]3C2 ZINC000286693067 385687328 /nfs/dbraw/zinc/68/73/28/385687328.db2.gz VYYSKVYGBXRMRL-CUINURIISA-N 0 3 286.350 2.553 20 30 CFEDHN CC#CCN1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000639755696 385697188 /nfs/dbraw/zinc/69/71/88/385697188.db2.gz LBRNBRYELXYHJJ-UHFFFAOYSA-N 0 3 280.375 2.674 20 30 CFEDHN C=CCOCCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793968 385711986 /nfs/dbraw/zinc/71/19/86/385711986.db2.gz XQQASJKWPMMMOK-HNNXBMFYSA-N 0 3 283.375 2.622 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(c2ccc(F)cn2)CC1 ZINC000639872625 385741248 /nfs/dbraw/zinc/74/12/48/385741248.db2.gz MQHGJIHFNPCNIH-HNNXBMFYSA-N 0 3 278.371 2.727 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000274263305 385750893 /nfs/dbraw/zinc/75/08/93/385750893.db2.gz DHLRHLOBMXCTMA-KRWDZBQOSA-N 0 3 284.403 2.571 20 30 CFEDHN C=CCN1CC[C@@H](N[C@](C)(CC)c2ccc(F)cc2)C1=O ZINC000639928788 385778662 /nfs/dbraw/zinc/77/86/62/385778662.db2.gz OHYAPAZTZSESRJ-NVXWUHKLSA-N 0 3 290.382 2.827 20 30 CFEDHN C=CCC[C@H](NCC(C)(C)OCCO)c1ccco1 ZINC000287198483 385801449 /nfs/dbraw/zinc/80/14/49/385801449.db2.gz DOYYGLBBPXLDBF-ZDUSSCGKSA-N 0 3 267.369 2.664 20 30 CFEDHN C=CCN1CCC(NC(=O)C2=CCCCCC2)CC1 ZINC000274661556 385843151 /nfs/dbraw/zinc/84/31/51/385843151.db2.gz GRIDCEKJYPNADC-UHFFFAOYSA-N 0 3 262.397 2.644 20 30 CFEDHN C=CCC[C@H](NC[C@@](C)(O)C(=O)OCC)c1ccccc1 ZINC000274684669 385848802 /nfs/dbraw/zinc/84/88/02/385848802.db2.gz YAKZWJZQGOYQSN-DOTOQJQBSA-N 0 3 291.391 2.598 20 30 CFEDHN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000274796117 385873661 /nfs/dbraw/zinc/87/36/61/385873661.db2.gz PKSPMAVTESMNHB-VCTAVGKDSA-N 0 3 262.328 2.651 20 30 CFEDHN C#CCCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274828564 385879411 /nfs/dbraw/zinc/87/94/11/385879411.db2.gz UKXRIAHFMOJVBL-INIZCTEOSA-N 0 3 271.339 2.652 20 30 CFEDHN C=CC[C@@H](C(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000275091373 385930932 /nfs/dbraw/zinc/93/09/32/385930932.db2.gz ICJFCRVESFDFSC-QGZVFWFLSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCC[C@H](C(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000275193867 385955052 /nfs/dbraw/zinc/95/50/52/385955052.db2.gz ZECKIIUUNADUKH-HOCLYGCPSA-N 0 3 274.408 2.803 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000275260275 385966666 /nfs/dbraw/zinc/96/66/66/385966666.db2.gz RWIKYCKRLIOQQS-LSDHHAIUSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000275282644 385970269 /nfs/dbraw/zinc/97/02/69/385970269.db2.gz WJFHKVSVQOMFCK-JKSUJKDBSA-N 0 3 261.340 2.724 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000275282640 385970291 /nfs/dbraw/zinc/97/02/91/385970291.db2.gz WJFHKVSVQOMFCK-HZPDHXFCSA-N 0 3 261.340 2.724 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288409545 197071091 /nfs/dbraw/zinc/07/10/91/197071091.db2.gz WVKLXCXKXGQIKM-AEFFLSMTSA-N 0 3 298.430 2.959 20 30 CFEDHN C=C(C)CN1CCC(Nc2nccnc2C(F)F)CC1 ZINC000288284185 197043262 /nfs/dbraw/zinc/04/32/62/197043262.db2.gz BHLKMTLMOGYRKW-UHFFFAOYSA-N 0 3 282.338 2.867 20 30 CFEDHN C=C(C)[C@H](NC[C@H](C)CO)c1ccc(F)c(F)c1 ZINC000681463313 542452323 /nfs/dbraw/zinc/45/23/23/542452323.db2.gz JDYZIZVDUASBNT-HZMBPMFUSA-N 0 3 255.308 2.800 20 30 CFEDHN C=C(C)[C@H](NC[C@@H](C)CO)c1ccc(F)c(F)c1 ZINC000681463316 542453042 /nfs/dbraw/zinc/45/30/42/542453042.db2.gz JDYZIZVDUASBNT-YGRLFVJLSA-N 0 3 255.308 2.800 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2ccsc2)CC1 ZINC000681606800 542469226 /nfs/dbraw/zinc/46/92/26/542469226.db2.gz LXFOQHXIRZIVFB-AWEZNQCLSA-N 0 3 251.395 2.865 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCc2ccccc2C)C1=O ZINC000281247632 195166492 /nfs/dbraw/zinc/16/64/92/195166492.db2.gz GOELPWKARXJADE-KRWDZBQOSA-N 0 3 286.419 2.646 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)Cc2ccccc2)C1=O ZINC000281263214 195172678 /nfs/dbraw/zinc/17/26/78/195172678.db2.gz NIDCYYIKYQBRAN-NVXWUHKLSA-N 0 3 286.419 2.584 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3cccc(C)c3)C2)C1=O ZINC000281363145 195211971 /nfs/dbraw/zinc/21/19/71/195211971.db2.gz NZVSPSRXRPNLRJ-SJORKVTESA-N 0 3 284.403 2.571 20 30 CFEDHN CC(C)(C)OC(=O)[C@]1(C)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000332394667 260005627 /nfs/dbraw/zinc/00/56/27/260005627.db2.gz SIVAAGIWFIHHBY-DVOMOZLQSA-N 0 3 278.396 2.732 20 30 CFEDHN C=CC[C@H](CO)N[C@H](CC)c1cc(F)ccc1F ZINC000186711937 260008718 /nfs/dbraw/zinc/00/87/18/260008718.db2.gz NWGYFHNSIZQLSY-BXUZGUMPSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)CN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000111255973 262258285 /nfs/dbraw/zinc/25/82/85/262258285.db2.gz TUGOESIIYRVPKX-UHFFFAOYSA-N 0 3 283.318 2.906 20 30 CFEDHN Cc1cc2ncc([C@H](C)NCC3(CC#N)CC3)c(C)n2n1 ZINC000430743754 224597846 /nfs/dbraw/zinc/59/78/46/224597846.db2.gz PXKMDLFZZPNQTB-LBPRGKRZSA-N 0 3 283.379 2.691 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)CC#Cc2ccc(F)cc2)C1 ZINC000187916608 260065719 /nfs/dbraw/zinc/06/57/19/260065719.db2.gz BONDHTJUKCWKJO-PBHICJAKSA-N 0 3 275.367 2.660 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000347042994 533236792 /nfs/dbraw/zinc/23/67/92/533236792.db2.gz DLCSAJGMCJZSOU-DTWKUNHWSA-N 0 3 292.289 2.768 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000336608947 533635242 /nfs/dbraw/zinc/63/52/42/533635242.db2.gz DXASZDQMUZOQNT-CJNGLKHVSA-N 0 3 299.418 2.700 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1nccc(C#N)c1Cl ZINC000342119569 130275758 /nfs/dbraw/zinc/27/57/58/130275758.db2.gz AVBUUBQPODRYEZ-CYBMUJFWSA-N 0 3 292.814 2.705 20 30 CFEDHN C[C@H](O)[C@](C)(CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000191719270 130286031 /nfs/dbraw/zinc/28/60/31/130286031.db2.gz FDKXSJYWYZSRKB-KSSFIOAISA-N 0 3 298.386 2.871 20 30 CFEDHN CN(CC#Cc1ccccc1)CCC1CCOCC1 ZINC000192069096 130363489 /nfs/dbraw/zinc/36/34/89/130363489.db2.gz KAEVNLQFIHHEEI-UHFFFAOYSA-N 0 3 257.377 2.787 20 30 CFEDHN CC#CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192070225 130364183 /nfs/dbraw/zinc/36/41/83/130364183.db2.gz BOMPAQPKDCWYIE-ZIAGYGMSSA-N 0 3 267.731 2.922 20 30 CFEDHN C#CCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192093873 130368050 /nfs/dbraw/zinc/36/80/50/130368050.db2.gz NVWJRGCTCXVKSH-QWHCGFSZSA-N 0 3 253.704 2.532 20 30 CFEDHN OCC[C@@H](NCC#Cc1ccccc1)C1CCCCC1 ZINC000192164480 130385206 /nfs/dbraw/zinc/38/52/06/130385206.db2.gz FINHWMWRFNYWNN-GOSISDBHSA-N 0 3 271.404 2.959 20 30 CFEDHN Cc1nsc(NCCN2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000342222484 130394720 /nfs/dbraw/zinc/39/47/20/130394720.db2.gz MASBKYYKYVODIJ-PHIMTYICSA-N 0 3 278.425 2.998 20 30 CFEDHN C=CCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263786016 131330598 /nfs/dbraw/zinc/33/05/98/131330598.db2.gz ZWAVYSZTVVWQJR-UHFFFAOYSA-N 0 3 262.328 2.662 20 30 CFEDHN CN(CCOc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268581107 132030425 /nfs/dbraw/zinc/03/04/25/132030425.db2.gz CRHMIUAPRXSORQ-GOSISDBHSA-N 0 3 296.370 2.602 20 30 CFEDHN C=CCC[C@@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268688186 132048794 /nfs/dbraw/zinc/04/87/94/132048794.db2.gz ZFIAOYSUEMTYJI-OAHLLOKOSA-N 0 3 297.402 2.979 20 30 CFEDHN C[C@@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000268705006 132052946 /nfs/dbraw/zinc/05/29/46/132052946.db2.gz WFCNGPUNLNRJRB-AWEZNQCLSA-N 0 3 296.370 2.608 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCc3cn[nH]c32)s1 ZINC000268875637 132082222 /nfs/dbraw/zinc/08/22/22/132082222.db2.gz WPRWUHDSPMPEMN-LBPRGKRZSA-N 0 3 258.350 2.510 20 30 CFEDHN COCC#CCN1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000683799523 542725887 /nfs/dbraw/zinc/72/58/87/542725887.db2.gz CDFKKQUMARYPIK-RDJZCZTQSA-N 0 3 257.377 2.823 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)cc1F)N1CCC(C)CC1 ZINC000269403250 132165659 /nfs/dbraw/zinc/16/56/59/132165659.db2.gz GZZTYFDMQNCKFJ-CQSZACIVSA-N 0 3 289.398 2.907 20 30 CFEDHN C=CCC[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372416618 393447716 /nfs/dbraw/zinc/44/77/16/393447716.db2.gz PPPYCTKBWWTZIN-SFHVURJKSA-N 0 3 282.387 2.974 20 30 CFEDHN C/C=C/C[C@H](CO)NC1CC(C#N)(c2ccccc2)C1 ZINC000372699696 393454159 /nfs/dbraw/zinc/45/41/59/393454159.db2.gz DGRKWPHMWDLOBH-JAIMQPHQSA-N 0 3 270.376 2.527 20 30 CFEDHN Cc1noc([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC000186174080 393540551 /nfs/dbraw/zinc/54/05/51/393540551.db2.gz FUJZLSVNWNHDPQ-INIZCTEOSA-N 0 3 296.374 2.938 20 30 CFEDHN C=C(C)CN1CCC[C@H]1[C@H](O)c1ccc(OC)cc1 ZINC000374407623 393495112 /nfs/dbraw/zinc/49/51/12/393495112.db2.gz WSHZUFFUTNNPTJ-JKSUJKDBSA-N 0 3 261.365 2.769 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@@H](Nc2c(C#N)cccc2C#N)C1 ZINC000302869929 393496074 /nfs/dbraw/zinc/49/60/74/393496074.db2.gz BDHGBSAYGKCXMD-DOMZBBRYSA-N 0 3 268.364 2.571 20 30 CFEDHN C[C@H](NCCOc1ccccc1C#N)c1ccccn1 ZINC000181782107 393502747 /nfs/dbraw/zinc/50/27/47/393502747.db2.gz XITLHRFBFYIIMM-ZDUSSCGKSA-N 0 3 267.332 2.683 20 30 CFEDHN CCC[C@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305829520 393503730 /nfs/dbraw/zinc/50/37/30/393503730.db2.gz OGKHUPHAQJFYPN-MFKMUULPSA-N 0 3 250.317 2.509 20 30 CFEDHN C#CCSCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000183298236 393518306 /nfs/dbraw/zinc/51/83/06/393518306.db2.gz ZZUKHWWTACTLFN-CQSZACIVSA-N 0 3 285.359 2.608 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H]1CNc2ccnn2C1 ZINC000684194651 542773368 /nfs/dbraw/zinc/77/33/68/542773368.db2.gz IPZJCEIPNCCNLK-INIZCTEOSA-N 0 3 282.391 2.613 20 30 CFEDHN C=CCOCCCN[C@H](C)c1nc2ccccc2n1C ZINC000684207285 542776657 /nfs/dbraw/zinc/77/66/57/542776657.db2.gz WQXWLPDOJCXIOS-CYBMUJFWSA-N 0 3 273.380 2.817 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(C#N)cc2C)CC[C@H]1C ZINC000189357316 393571303 /nfs/dbraw/zinc/57/13/03/393571303.db2.gz NDZSZKZOOFSXDY-MLGOLLRUSA-N 0 3 258.365 2.724 20 30 CFEDHN CC(C)(O)C(C)(C)CNCc1cc(C#N)cs1 ZINC000393696330 393594715 /nfs/dbraw/zinc/59/47/15/393594715.db2.gz QGXUCNHSNCWALB-UHFFFAOYSA-N 0 3 252.383 2.506 20 30 CFEDHN Cc1cc(C#N)ccc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000191177119 393589412 /nfs/dbraw/zinc/58/94/12/393589412.db2.gz SWOLUZGDBCEZMC-STQMWFEESA-N 0 3 258.365 2.600 20 30 CFEDHN CCCN(CCC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411163900 393677439 /nfs/dbraw/zinc/67/74/39/393677439.db2.gz GQUYRIZVBGFSLA-INIZCTEOSA-N 0 3 285.391 2.786 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193764153 393662991 /nfs/dbraw/zinc/66/29/91/393662991.db2.gz MNRDCKZBVLWACD-OAHLLOKOSA-N 0 3 296.374 2.540 20 30 CFEDHN COCCN(CCC1(C#N)CCCCC1)[C@H]1CCO[C@H]1C ZINC000411658047 393736211 /nfs/dbraw/zinc/73/62/11/393736211.db2.gz VWIRMVLGEATKAH-HOTGVXAUSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@@H](CN1CCOCC1)N(C)CCC1(C#N)CCCCC1 ZINC000411679260 393738203 /nfs/dbraw/zinc/73/82/03/393738203.db2.gz CNFQONQNDVCFQT-INIZCTEOSA-N 0 3 293.455 2.503 20 30 CFEDHN CC(C)N(CCOCCO)CCC1(C#N)CCCCC1 ZINC000411688301 393739278 /nfs/dbraw/zinc/73/92/78/393739278.db2.gz BTYZNYVHLPJXLV-UHFFFAOYSA-N 0 3 282.428 2.570 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCOCc1ccc(C#N)cc1 ZINC000411739403 393743459 /nfs/dbraw/zinc/74/34/59/393743459.db2.gz WRGRKTURCLIZFQ-AWEZNQCLSA-N 0 3 271.364 2.699 20 30 CFEDHN C[C@H](CCC#N)N(C)CCOCc1ccc(C#N)cc1 ZINC000411739404 393743762 /nfs/dbraw/zinc/74/37/62/393743762.db2.gz WRGRKTURCLIZFQ-CQSZACIVSA-N 0 3 271.364 2.699 20 30 CFEDHN CC(C)(C)O[C@@H]1C[C@H](NCC2(C#N)CC2)C1(C)C ZINC000412079062 393762227 /nfs/dbraw/zinc/76/22/27/393762227.db2.gz PTFBNIZMPSZDJC-NWDGAFQWSA-N 0 3 250.386 2.862 20 30 CFEDHN COCC[C@H](c1ccccc1)N1CCC(C#N)CC1 ZINC000412098933 393762299 /nfs/dbraw/zinc/76/22/99/393762299.db2.gz YZPSTCDCOYASHG-MRXNPFEDSA-N 0 3 258.365 3.000 20 30 CFEDHN CN(C)Cc1ccc(CNC(=O)c2cc(C#N)cs2)cc1 ZINC000084382562 393748517 /nfs/dbraw/zinc/74/85/17/393748517.db2.gz UEAJHNGDVFGGFZ-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN CO[C@](C)([C@@H](C)NCC#Cc1ccc(F)cc1)C1CC1 ZINC000411974826 393758856 /nfs/dbraw/zinc/75/88/56/393758856.db2.gz UUWBHVXQZFUFLU-CXAGYDPISA-N 0 3 275.367 2.970 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NCCC#N)CC3 ZINC000336109126 393718664 /nfs/dbraw/zinc/71/86/64/393718664.db2.gz ZXLAIDUALFLNLJ-GFCCVEGCSA-N 0 3 253.349 2.837 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000412039436 393761078 /nfs/dbraw/zinc/76/10/78/393761078.db2.gz JPUXALASMOBYOI-ZIAGYGMSSA-N 0 3 264.413 2.696 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCCC(F)(F)C2)C1=O ZINC000338342035 393781814 /nfs/dbraw/zinc/78/18/14/393781814.db2.gz FCZIKWWCECYNJG-STQMWFEESA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCCCCCN1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338350508 393782961 /nfs/dbraw/zinc/78/29/61/393782961.db2.gz JQBSOZRRLRVEIR-LVQVYYBASA-N 0 3 295.423 2.916 20 30 CFEDHN C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1[C@H](C)CC[C@@H]1C ZINC000413471134 393784371 /nfs/dbraw/zinc/78/43/71/393784371.db2.gz NCHYJAWKGFVEBW-GAGVYUBLSA-N 0 3 291.439 2.836 20 30 CFEDHN Cc1ccc(CNCCCC#N)c(-c2ccnn2C)c1 ZINC000338445547 393787626 /nfs/dbraw/zinc/78/76/26/393787626.db2.gz LCJBOTLNJVXYDD-UHFFFAOYSA-N 0 3 268.364 2.789 20 30 CFEDHN CC[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)N(C)C ZINC000413817853 393789331 /nfs/dbraw/zinc/78/93/31/393789331.db2.gz MWRUBUBBYYOFPX-HZPDHXFCSA-N 0 3 287.407 2.878 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000338534369 393789395 /nfs/dbraw/zinc/78/93/95/393789395.db2.gz DJVNTDFFODZQIY-MRXNPFEDSA-N 0 3 285.391 2.560 20 30 CFEDHN CCCC(C)(C)N(CC(=O)NCC#N)Cc1cccs1 ZINC000338587010 393792479 /nfs/dbraw/zinc/79/24/79/393792479.db2.gz HCAQFHGBTRNDCC-UHFFFAOYSA-N 0 3 293.436 2.769 20 30 CFEDHN N#CCCOCCN1CCC(OC2CCCCC2)CC1 ZINC000338943182 393806302 /nfs/dbraw/zinc/80/63/02/393806302.db2.gz USZBNRWMRBJSRO-UHFFFAOYSA-N 0 3 280.412 2.730 20 30 CFEDHN C[C@@H](Cn1ccnc1)NCc1cccc(OCCCC#N)c1 ZINC000338953160 393807258 /nfs/dbraw/zinc/80/72/58/393807258.db2.gz RBLDTAZZTDDSMB-HNNXBMFYSA-N 0 3 298.390 2.744 20 30 CFEDHN C=CC[C@H](CO)CNCc1conc1Cc1ccccc1 ZINC000339337713 393823210 /nfs/dbraw/zinc/82/32/10/393823210.db2.gz FJRFHDNAFLEORD-HNNXBMFYSA-N 0 3 286.375 2.540 20 30 CFEDHN C=C[C@H](C)NC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000342823362 393871023 /nfs/dbraw/zinc/87/10/23/393871023.db2.gz ITJRDSPXKIXIGS-GARJFASQSA-N 0 3 292.345 2.586 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)C1CCN(CC)CC1 ZINC000342835275 393871777 /nfs/dbraw/zinc/87/17/77/393871777.db2.gz NZNZHLZHZMNDQB-UHFFFAOYSA-N 0 3 296.455 2.692 20 30 CFEDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345709306 393914251 /nfs/dbraw/zinc/91/42/51/393914251.db2.gz JCUNHSSXPKTWSC-CQSZACIVSA-N 0 3 293.455 2.801 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344129066 393896235 /nfs/dbraw/zinc/89/62/35/393896235.db2.gz XLJAMQJCHDVOMG-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(C)C#N)C2)cc1 ZINC000428315707 393897538 /nfs/dbraw/zinc/89/75/38/393897538.db2.gz OTLGSZYDZCTRPE-VNHYZAJKSA-N 0 3 256.349 2.859 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000345682509 393913603 /nfs/dbraw/zinc/91/36/03/393913603.db2.gz ZMEGFQUFJSIXQV-QWHCGFSZSA-N 0 3 274.389 2.787 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCCC2)o1 ZINC000418131072 394016862 /nfs/dbraw/zinc/01/68/62/394016862.db2.gz VVBBDKRBZNWUNZ-CYBMUJFWSA-N 0 3 262.353 2.572 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1cccc(C#N)c1 ZINC000434675249 394017327 /nfs/dbraw/zinc/01/73/27/394017327.db2.gz KPXWVWXLLDLSCM-UHFFFAOYSA-N 0 3 269.348 2.561 20 30 CFEDHN C[C@@H](N[C@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1 ZINC000417378058 393952786 /nfs/dbraw/zinc/95/27/86/393952786.db2.gz DSWYKFOQTHRWDB-RISCZKNCSA-N 0 3 279.334 2.548 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121242201 393952894 /nfs/dbraw/zinc/95/28/94/393952894.db2.gz KBUDODPZQJKSNG-INIZCTEOSA-N 0 3 295.386 2.801 20 30 CFEDHN C=CCOc1ccccc1CN(C)C1CC(OC)C1 ZINC000348709498 393957477 /nfs/dbraw/zinc/95/74/77/393957477.db2.gz BQTXUCDKCMWCPL-UHFFFAOYSA-N 0 3 261.365 2.861 20 30 CFEDHN N#CC1(F)CCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000348710833 393957842 /nfs/dbraw/zinc/95/78/42/393957842.db2.gz DSNPVUUBRYVYKE-UHFFFAOYSA-N 0 3 288.366 2.882 20 30 CFEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000348920201 393960647 /nfs/dbraw/zinc/96/06/47/393960647.db2.gz JBDSPHFXYCQOJS-IUODEOHRSA-N 0 3 272.348 2.645 20 30 CFEDHN CC1=C[C@H](C)CN(CCOc2cccc(C#N)c2)C1 ZINC000430273744 393976804 /nfs/dbraw/zinc/97/68/04/393976804.db2.gz FOJYZRQBNWIUKJ-ZDUSSCGKSA-N 0 3 256.349 2.835 20 30 CFEDHN CC(C)[C@H]1CN(c2ccc(C#N)c(Cl)c2)CCN1C ZINC000487105864 393984274 /nfs/dbraw/zinc/98/42/74/393984274.db2.gz WOZVRCKCRMMEHB-OAHLLOKOSA-N 0 3 277.799 2.988 20 30 CFEDHN C=C(C)CCN1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000352399777 394014000 /nfs/dbraw/zinc/01/40/00/394014000.db2.gz BGRLCQBZBRNDSD-QLFBSQMISA-N 0 3 253.386 2.611 20 30 CFEDHN CN(C)C1(CNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000418119772 394014379 /nfs/dbraw/zinc/01/43/79/394014379.db2.gz YHEQXCBUXDNQHU-UHFFFAOYSA-N 0 3 297.324 2.761 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000437356545 394054526 /nfs/dbraw/zinc/05/45/26/394054526.db2.gz XZJGLJUIJTVTCN-OCCSQVGLSA-N 0 3 290.338 2.519 20 30 CFEDHN C#C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000281965463 394101908 /nfs/dbraw/zinc/10/19/08/394101908.db2.gz ITTWJPPSQMITPU-SFHVURJKSA-N 0 3 298.430 2.673 20 30 CFEDHN CN(CC[C@@H]1CCOC1)Cc1cc(C#N)ccc1F ZINC000437582814 394060401 /nfs/dbraw/zinc/06/04/01/394060401.db2.gz OHBUOIYNUPWFQL-GFCCVEGCSA-N 0 3 262.328 2.556 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492883909 394088895 /nfs/dbraw/zinc/08/88/95/394088895.db2.gz RXSYMYOMEUQLRR-GFCCVEGCSA-N 0 3 254.374 2.504 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N[C@@H]3CCCN(C)[C@@H]3C)c2c1 ZINC000488129348 394036248 /nfs/dbraw/zinc/03/62/48/394036248.db2.gz RCDKAMJHUTVNLP-CZUORRHYSA-N 0 3 294.402 2.731 20 30 CFEDHN C=CCn1c(SC[C@@H](C)N(C)C)nnc1-c1ccco1 ZINC000358857509 394114218 /nfs/dbraw/zinc/11/42/18/394114218.db2.gz ZSQYERRQTQLAMS-LLVKDONJSA-N 0 3 292.408 2.766 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)[C@H](C)CN1C ZINC000439440127 394115262 /nfs/dbraw/zinc/11/52/62/394115262.db2.gz POYIQXYZVOAUEX-VXGBXAGGSA-N 0 3 277.799 2.736 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000358904395 394115374 /nfs/dbraw/zinc/11/53/74/394115374.db2.gz IUKRZMNKWWNNCT-JCOFBHIZSA-N 0 3 296.729 2.585 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000358935076 394116219 /nfs/dbraw/zinc/11/62/19/394116219.db2.gz OCBVRVUBVAMJRM-TZMCWYRMSA-N 0 3 271.364 2.857 20 30 CFEDHN CC(C)CN1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000130872115 394120397 /nfs/dbraw/zinc/12/03/97/394120397.db2.gz VDPQBPANXZLKMW-CQSZACIVSA-N 0 3 275.396 2.751 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000359235107 394127977 /nfs/dbraw/zinc/12/79/77/394127977.db2.gz YVYQEYWIQFUQOG-KKUMJFAQSA-N 0 3 281.444 2.903 20 30 CFEDHN C=C(C)CCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000283979796 394133868 /nfs/dbraw/zinc/13/38/68/394133868.db2.gz CRJNIJDWZUZLMK-KRWDZBQOSA-N 0 3 258.409 2.811 20 30 CFEDHN CC[C@H](N[C@H](CCO)CSC)c1ccc(C#N)cc1 ZINC000447542214 394151837 /nfs/dbraw/zinc/15/18/37/394151837.db2.gz IKFOMKAIUOKFHP-CABCVRRESA-N 0 3 278.421 2.713 20 30 CFEDHN C[C@@H](C(=O)NCC(C)(C)CCC#N)N1[C@H](C)CC[C@H]1C ZINC000360427523 394152309 /nfs/dbraw/zinc/15/23/09/394152309.db2.gz VHRHBMNJWNKUNJ-MCIONIFRSA-N 0 3 279.428 2.694 20 30 CFEDHN CC#CCCN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360628170 394155604 /nfs/dbraw/zinc/15/56/04/394155604.db2.gz GLCTWMQARZTYRQ-UHFFFAOYSA-N 0 3 275.367 2.609 20 30 CFEDHN CC[C@@H](C)N[C@H](CNC(=O)CCCC#N)c1ccco1 ZINC000360620948 394155797 /nfs/dbraw/zinc/15/57/97/394155797.db2.gz PAQQBRPRNIUTJQ-CHWSQXEVSA-N 0 3 277.368 2.519 20 30 CFEDHN CCN(C(=O)CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000360653284 394156874 /nfs/dbraw/zinc/15/68/74/394156874.db2.gz OWPAOEONBRCKAN-KRWDZBQOSA-N 0 3 299.418 2.803 20 30 CFEDHN C=CCC[C@H](NCCCN1CCOCC1)c1ccco1 ZINC000285877112 394159437 /nfs/dbraw/zinc/15/94/37/394159437.db2.gz ZGOMOZXNGADUCQ-HNNXBMFYSA-N 0 3 278.396 2.599 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000361153860 394166620 /nfs/dbraw/zinc/16/66/20/394166620.db2.gz KSJMHUCAHQLQSO-CABCVRRESA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000361154058 394167166 /nfs/dbraw/zinc/16/71/66/394167166.db2.gz OFCFLRWCFDRQKR-CABCVRRESA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCC[C@H](N[C@H](C)CN1CCN(C)CC1)c1ccco1 ZINC000285939473 394169249 /nfs/dbraw/zinc/16/92/49/394169249.db2.gz FQJFBUNANMMYSD-CVEARBPZSA-N 0 3 291.439 2.512 20 30 CFEDHN CS[C@@H]1CC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000421370740 394206446 /nfs/dbraw/zinc/20/64/46/394206446.db2.gz XETHXVVYUXXPFK-CHWSQXEVSA-N 0 3 250.342 2.681 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)C2CCCCC2)cc1F ZINC000421376747 394208603 /nfs/dbraw/zinc/20/86/03/394208603.db2.gz FGPONSKTGBKSNK-INIZCTEOSA-N 0 3 290.382 2.976 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(F)(c2ccccn2)CC1 ZINC000289315887 394217118 /nfs/dbraw/zinc/21/71/18/394217118.db2.gz JPFZDNYQOMZTBQ-AWEZNQCLSA-N 0 3 278.371 2.669 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000289695406 394221090 /nfs/dbraw/zinc/22/10/90/394221090.db2.gz OLHWHLKJCNLEOX-OAHLLOKOSA-N 0 3 297.320 2.947 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000289784903 394221942 /nfs/dbraw/zinc/22/19/42/394221942.db2.gz MXCARFHCVNZPHZ-ZBFHGGJFSA-N 0 3 274.408 2.874 20 30 CFEDHN CC(C)OCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367065683 394250505 /nfs/dbraw/zinc/25/05/05/394250505.db2.gz JSIXDTYRPBEMSC-UHFFFAOYSA-N 0 3 287.407 2.754 20 30 CFEDHN N#Cc1ccnc(NCC2CCN(c3ccncc3)CC2)c1 ZINC000286054412 394185188 /nfs/dbraw/zinc/18/51/88/394185188.db2.gz AACXEZUISLYKGP-UHFFFAOYSA-N 0 3 293.374 2.677 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCN(C(=O)NCC)C1)c1ccco1 ZINC000286098697 394192029 /nfs/dbraw/zinc/19/20/29/394192029.db2.gz MKSBTRYYBSJEDR-KGLIPLIRSA-N 0 3 291.395 2.680 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](O)Cc1ccccc1 ZINC000421343736 394192391 /nfs/dbraw/zinc/19/23/91/394192391.db2.gz QMRCFIIKHSRILV-FZKQIMNGSA-N 0 3 298.361 2.779 20 30 CFEDHN C=CCC[C@H](NC[C@@H](COC)OC)c1ccco1 ZINC000286311888 394195219 /nfs/dbraw/zinc/19/52/19/394195219.db2.gz XNXOPTXTTGTDEY-STQMWFEESA-N 0 3 253.342 2.538 20 30 CFEDHN C=CCC[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccco1 ZINC000286363301 394196138 /nfs/dbraw/zinc/19/61/38/394196138.db2.gz ZHNUTJBBIWPGFA-UONOGXRCSA-N 0 3 276.380 2.887 20 30 CFEDHN Cc1nc(C)n(C[C@H]2CCCCN2CCC(C)(C)C#N)n1 ZINC000363477843 394196198 /nfs/dbraw/zinc/19/61/98/394196198.db2.gz BOEPBXKUKPFVPX-OAHLLOKOSA-N 0 3 289.427 2.689 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000493567012 394280028 /nfs/dbraw/zinc/28/00/28/394280028.db2.gz ZGDAYAVZBJYFAW-KBOKABMXSA-N 0 3 297.402 2.513 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@]3(CCOC3)C2)cc1 ZINC000153730288 394290374 /nfs/dbraw/zinc/29/03/74/394290374.db2.gz IWOQNZDLNJIISZ-INIZCTEOSA-N 0 3 275.779 2.804 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000157499081 394346618 /nfs/dbraw/zinc/34/66/18/394346618.db2.gz XDKAKLNZWDGABU-UHFFFAOYSA-N 0 3 268.364 2.970 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN(CC3=CCCCC3)C2)nc1 ZINC000451055966 394351986 /nfs/dbraw/zinc/35/19/86/394351986.db2.gz NBWKWVWNWTYMQD-INIZCTEOSA-N 0 3 283.375 2.907 20 30 CFEDHN N#C[C@H]1CC[C@@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000516706553 394370276 /nfs/dbraw/zinc/37/02/76/394370276.db2.gz ZQKDBCSPZCWHEQ-WMLDXEAASA-N 0 3 299.418 2.747 20 30 CFEDHN CC(C)(CCC#N)CNCC(=O)Nc1ccc(F)cc1 ZINC000174324938 394378430 /nfs/dbraw/zinc/37/84/30/394378430.db2.gz MLSRLVDZAWFTPA-UHFFFAOYSA-N 0 3 277.343 2.684 20 30 CFEDHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453333430 394386819 /nfs/dbraw/zinc/38/68/19/394386819.db2.gz WCVHQEZARVVTRS-VCTAVGKDSA-N 0 3 262.328 2.915 20 30 CFEDHN CN(CCCCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000178424902 394388148 /nfs/dbraw/zinc/38/81/48/394388148.db2.gz DQEYTKBNHNKNDH-SFHVURJKSA-N 0 3 264.394 2.550 20 30 CFEDHN CCC1(CN[C@@H](C)c2ccc(C#N)cc2F)COC1 ZINC000453354720 394389870 /nfs/dbraw/zinc/38/98/70/394389870.db2.gz HULILHUTPKZEMM-NSHDSACASA-N 0 3 262.328 2.775 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(C3CCCC3)CC2)C1=O ZINC000685002066 542886061 /nfs/dbraw/zinc/88/60/61/542886061.db2.gz ZTHZJUTWYPSRFV-MRXNPFEDSA-N 0 3 276.424 2.676 20 30 CFEDHN Cc1cnc(CCN[C@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000453405861 394398382 /nfs/dbraw/zinc/39/83/82/394398382.db2.gz QPRHOLGPQOTSTB-GFCCVEGCSA-N 0 3 284.338 2.689 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(SC)cc1 ZINC000685005474 542886849 /nfs/dbraw/zinc/88/68/49/542886849.db2.gz VTYCKEDLOXQSMV-FZMZJTMJSA-N 0 3 251.395 2.996 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc(C#N)cc1F ZINC000527803226 394409438 /nfs/dbraw/zinc/40/94/38/394409438.db2.gz DKUFGIBUQHSNHI-ZVXAKGHKSA-N 0 3 262.328 2.599 20 30 CFEDHN COCc1ccc(NC(=O)C(C)C(F)(F)F)cc1C#N ZINC000529815572 394425247 /nfs/dbraw/zinc/42/52/47/394425247.db2.gz GOZSXGGQPIYVLV-QMMMGPOBSA-N 0 3 286.253 2.842 20 30 CFEDHN CCC#C[C@H](C)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000685592649 542932463 /nfs/dbraw/zinc/93/24/63/542932463.db2.gz ZPHZUXKCAWPTBP-DOTOQJQBSA-N 0 3 268.404 2.925 20 30 CFEDHN N#Cc1ccc(CNCCc2cnc(C3CC3)nc2)c(F)c1 ZINC000535187095 394532414 /nfs/dbraw/zinc/53/24/14/394532414.db2.gz SGLJFRLSNKADPB-UHFFFAOYSA-N 0 3 296.349 2.697 20 30 CFEDHN Cc1ccccc1[C@@H](CO)NCCOc1ccc(C#N)cc1 ZINC000543836956 394744841 /nfs/dbraw/zinc/74/48/41/394744841.db2.gz VYIZHYISXBGITE-GOSISDBHSA-N 0 3 296.370 2.569 20 30 CFEDHN CCCN(CCN(C)C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000542510418 394705340 /nfs/dbraw/zinc/70/53/40/394705340.db2.gz CFSHAFXHFDOQFO-UHFFFAOYSA-N 0 3 293.798 2.625 20 30 CFEDHN N#Cc1cnccc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000547824513 394893122 /nfs/dbraw/zinc/89/31/22/394893122.db2.gz KRGUKMSVWVTUTQ-SFHVURJKSA-N 0 3 292.386 2.624 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccncc2C#N)C1 ZINC000548481252 394934996 /nfs/dbraw/zinc/93/49/96/394934996.db2.gz IGHGEDCGQWCDDT-YOEHRIQHSA-N 0 3 292.386 2.623 20 30 CFEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@H]2C)c1C#N ZINC000558618759 395066356 /nfs/dbraw/zinc/06/63/56/395066356.db2.gz GLPDMKHLQYBSSY-ABAIWWIYSA-N 0 3 272.348 2.623 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ncc[nH]1)C(C)C ZINC000285524265 542970690 /nfs/dbraw/zinc/97/06/90/542970690.db2.gz FBYIIROQLGXAIL-GJZGRUSLSA-N 0 3 276.428 2.759 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(Cl)c1 ZINC000594426566 395103299 /nfs/dbraw/zinc/10/32/99/395103299.db2.gz OXORGTCFJTZTFN-LBPRGKRZSA-N 0 3 279.771 2.998 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ncc[nH]1)C(C)C ZINC000285524263 542970371 /nfs/dbraw/zinc/97/03/71/542970371.db2.gz FBYIIROQLGXAIL-CABCVRRESA-N 0 3 276.428 2.759 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2CCOC2)ccc1OC ZINC000178994650 543005093 /nfs/dbraw/zinc/00/50/93/543005093.db2.gz FUKJWQFGCLKCIN-AWEZNQCLSA-N 0 3 277.364 2.529 20 30 CFEDHN C=CCC1(NCc2cncnc2OC)CCCCC1 ZINC000647215288 395232241 /nfs/dbraw/zinc/23/22/41/395232241.db2.gz OIVJCWCNIMHATP-UHFFFAOYSA-N 0 3 261.369 2.854 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000648997503 395391257 /nfs/dbraw/zinc/39/12/57/395391257.db2.gz QYNIXPMNMHFLKU-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(OC2CCC(C)CC2)CC1 ZINC000649303454 395470802 /nfs/dbraw/zinc/47/08/02/395470802.db2.gz WPQXUHQCJUSYIU-VMBOVVBDSA-N 0 3 281.440 2.983 20 30 CFEDHN C=CCCCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000649589687 395533198 /nfs/dbraw/zinc/53/31/98/395533198.db2.gz QSJKTAJWESADKA-NEPJUHHUSA-N 0 3 265.319 2.835 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2cc(Cl)cn2C)n1 ZINC000041517917 397554705 /nfs/dbraw/zinc/55/47/05/397554705.db2.gz XTZMANAAYXXEEY-VIFPVBQESA-N 0 3 279.752 2.934 20 30 CFEDHN Cc1c(C(=O)C(C#N)c2ccc3ccccc3n2)cnn1C ZINC000047375938 397585145 /nfs/dbraw/zinc/58/51/45/397585145.db2.gz KCIUSRRCGHDDLS-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN Cc1ccc(C[C@H](CO)NCc2ccc(C#N)c(F)c2)cc1 ZINC000421384749 397572927 /nfs/dbraw/zinc/57/29/27/397572927.db2.gz KWKCNAZDOOERQY-QGZVFWFLSA-N 0 3 298.361 2.699 20 30 CFEDHN CCCN(CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356056334 155151157 /nfs/dbraw/zinc/15/11/57/155151157.db2.gz MJYGUTUKINZRMB-UHFFFAOYSA-N 0 3 286.297 2.781 20 30 CFEDHN C=C(C)[C@H](NC[C@]1(O)CCCOC1)c1ccc(F)c(F)c1 ZINC000660311696 413236811 /nfs/dbraw/zinc/23/68/11/413236811.db2.gz JEUZVVPDFMYLAF-JKSUJKDBSA-N 0 3 297.345 2.713 20 30 CFEDHN C[C@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)s2)C1 ZINC000356369842 155241516 /nfs/dbraw/zinc/24/15/16/155241516.db2.gz QEEHVVCSAFSNDA-NWDGAFQWSA-N 0 3 264.394 2.603 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC1CC(O)C1 ZINC000356425849 155262816 /nfs/dbraw/zinc/26/28/16/155262816.db2.gz NPZZWWSNFRZVMP-UHFFFAOYSA-N 0 3 298.308 2.780 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CCO[C@H](C)C1 ZINC000420968300 413247613 /nfs/dbraw/zinc/24/76/13/413247613.db2.gz VXJMHZZOAFPOAP-ZIAGYGMSSA-N 0 3 279.380 2.718 20 30 CFEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](CC)c1ccc(C#N)cc1 ZINC000447590262 286226421 /nfs/dbraw/zinc/22/64/21/286226421.db2.gz BFELTDSXIWBKBF-IXDOHACOSA-N 0 3 288.391 2.793 20 30 CFEDHN C=CCN1CCC(Nc2cc(OCC)ncc2F)CC1 ZINC000663570773 413276029 /nfs/dbraw/zinc/27/60/29/413276029.db2.gz YVHCUOYELDYNLE-UHFFFAOYSA-N 0 3 279.359 2.682 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000343115761 154118884 /nfs/dbraw/zinc/11/88/84/154118884.db2.gz APGMVEBOBGNCGT-KRWDZBQOSA-N 0 3 266.344 2.724 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)N1CCCC[C@H]1C ZINC000343281403 154165996 /nfs/dbraw/zinc/16/59/96/154165996.db2.gz CKEONMVQCCWZNJ-OLZOCXBDSA-N 0 3 277.437 2.972 20 30 CFEDHN CC(C)[C@@H](O)C1(CNCc2cc(C#N)cs2)CC1 ZINC000345713774 154248767 /nfs/dbraw/zinc/24/87/67/154248767.db2.gz UMBQDHLKKHOOES-CYBMUJFWSA-N 0 3 264.394 2.506 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc1 ZINC000355598764 155051151 /nfs/dbraw/zinc/05/11/51/155051151.db2.gz QJLSIJPAGYKGJL-UHFFFAOYSA-N 0 3 293.330 2.665 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000355782808 155085225 /nfs/dbraw/zinc/08/52/25/155085225.db2.gz FWEYBXJZHCIPHR-RBSFLKMASA-N 0 3 299.418 2.541 20 30 CFEDHN COCC#CCN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000657110774 413311110 /nfs/dbraw/zinc/31/11/10/413311110.db2.gz PKJGISVRPKPPIY-IAGOWNOFSA-N 0 3 257.377 2.904 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@@H](C)CN1C ZINC000360141426 156032186 /nfs/dbraw/zinc/03/21/86/156032186.db2.gz SGWGIXOMXSOPMK-NEPJUHHUSA-N 0 3 277.799 2.736 20 30 CFEDHN CN1CC[C@H](NCc2ccc(C#N)o2)[C@H]1c1ccc(F)cc1 ZINC000362760026 156080980 /nfs/dbraw/zinc/08/09/80/156080980.db2.gz SFWNXBGCAXMLTO-DLBZAZTESA-N 0 3 299.349 2.825 20 30 CFEDHN N#Cc1ccc(C2=CCN(CC[C@@H]3CCOC3=O)CC2)cc1 ZINC000374307845 157098020 /nfs/dbraw/zinc/09/80/20/157098020.db2.gz IORLKJKQZXYKND-QGZVFWFLSA-N 0 3 296.370 2.601 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1csc(C)c1 ZINC000653647305 413425821 /nfs/dbraw/zinc/42/58/21/413425821.db2.gz FDQMRDWFQCCVDO-UHFFFAOYSA-N 0 3 252.427 2.996 20 30 CFEDHN CO[C@H](C)CN(Cc1ccc(F)c(C#N)c1)C(C)C ZINC000344369401 162027901 /nfs/dbraw/zinc/02/79/01/162027901.db2.gz QEUHLTJUCSMJTM-GFCCVEGCSA-N 0 3 264.344 2.943 20 30 CFEDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccc(C#N)cc1F ZINC000344382394 162029122 /nfs/dbraw/zinc/02/91/22/162029122.db2.gz OWDMQJKSHUDRKR-ABAIWWIYSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)Cc2ccccc2C)nn1 ZINC000657318286 413440379 /nfs/dbraw/zinc/44/03/79/413440379.db2.gz IQZPGUWJTCUHMX-HNNXBMFYSA-N 0 3 284.407 2.883 20 30 CFEDHN CC(C)CN(Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC000350661315 163097722 /nfs/dbraw/zinc/09/77/22/163097722.db2.gz PTKLXXACPPESTI-UHFFFAOYSA-N 0 3 268.364 2.940 20 30 CFEDHN N#Cc1ccc(N2CCN(CCc3cccs3)CC2)cc1 ZINC000352696422 163225320 /nfs/dbraw/zinc/22/53/20/163225320.db2.gz LXGGRSOSKOTKTP-UHFFFAOYSA-N 0 3 297.427 2.984 20 30 CFEDHN CCC[C@@]1(NCc2cc(C#N)ccc2OC)CCOC1 ZINC000352828118 163245826 /nfs/dbraw/zinc/24/58/26/163245826.db2.gz XDRCBCSBGUCUIJ-MRXNPFEDSA-N 0 3 274.364 2.616 20 30 CFEDHN CN(C)Cc1cccc(NCc2nc(C#N)cs2)c1 ZINC000352837532 163247243 /nfs/dbraw/zinc/24/72/43/163247243.db2.gz BDRFVEZNYPDRSM-UHFFFAOYSA-N 0 3 272.377 2.688 20 30 CFEDHN CC(C)[C@@](C)(CO)NCc1ccc(C#N)cc1OC(F)F ZINC000352895457 163263744 /nfs/dbraw/zinc/26/37/44/163263744.db2.gz VUJVONJHZDFCME-OAHLLOKOSA-N 0 3 298.333 2.656 20 30 CFEDHN C[S@](=O)Cc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000353121748 163310853 /nfs/dbraw/zinc/31/08/53/163310853.db2.gz SSGUGGNPUVJNAV-NRFANRHFSA-N 0 3 298.411 2.727 20 30 CFEDHN COc1cc(CNCc2cccc3c[nH]nc32)ccc1C#N ZINC000353219642 163320618 /nfs/dbraw/zinc/32/06/18/163320618.db2.gz BTTUXYMIQMNRAI-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN N#Cc1csc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000353237733 163324547 /nfs/dbraw/zinc/32/45/47/163324547.db2.gz DRSALARODNCYQY-DLBZAZTESA-N 0 3 298.411 2.876 20 30 CFEDHN C=C1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCCF)CC1 ZINC001085321397 782015236 /nfs/dbraw/zinc/01/52/36/782015236.db2.gz VHUMBKDKTPXOJQ-HUUCEWRRSA-N 0 3 282.403 2.719 20 30 CFEDHN C=CCN(CCc1ccco1)CCc1ccnn1CC ZINC000284342056 196034989 /nfs/dbraw/zinc/03/49/89/196034989.db2.gz JMKNHEUVCIOWRZ-UHFFFAOYSA-N 0 3 273.380 2.769 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)C[C@H](C)C1 ZINC000007385998 170281869 /nfs/dbraw/zinc/28/18/69/170281869.db2.gz MGWYJTDIXSHIIR-MJBXVCDLSA-N 0 3 285.391 2.863 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N[C@H](C)CC ZINC000284966929 196167017 /nfs/dbraw/zinc/16/70/17/196167017.db2.gz CUGISOFIZDGFEY-BFYDXBDKSA-N 0 3 286.419 2.514 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N(C)CCN1CCCCC1 ZINC000651477494 413496549 /nfs/dbraw/zinc/49/65/49/413496549.db2.gz AUYIQHFFKSTFPL-UHFFFAOYSA-N 0 3 285.391 2.683 20 30 CFEDHN OC[C@@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000653783895 413497983 /nfs/dbraw/zinc/49/79/83/413497983.db2.gz WWVRECCJDLSVIL-INIZCTEOSA-N 0 3 277.795 2.928 20 30 CFEDHN OC[C@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000653782204 413498617 /nfs/dbraw/zinc/49/86/17/413498617.db2.gz SJXWRHOHLKTFTK-MRXNPFEDSA-N 0 3 277.795 2.928 20 30 CFEDHN C=CCCn1cc(CNC[C@H](c2cccnc2)C(C)C)nn1 ZINC000657390915 413543621 /nfs/dbraw/zinc/54/36/21/413543621.db2.gz KLBOUBGXASZNJB-KRWDZBQOSA-N 0 3 299.422 2.779 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)s1 ZINC000285067754 196189564 /nfs/dbraw/zinc/18/95/64/196189564.db2.gz LUUFQYLZHCCFDJ-KBPBESRZSA-N 0 3 262.378 2.763 20 30 CFEDHN C=CCCCC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000285252289 196233209 /nfs/dbraw/zinc/23/32/09/196233209.db2.gz OMXQJLVKNGJQOG-UHFFFAOYSA-N 0 3 262.328 2.766 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@H](C)c1cnccn1 ZINC000285268878 196237119 /nfs/dbraw/zinc/23/71/19/196237119.db2.gz YBZIARZJGXNGIW-ZBFHGGJFSA-N 0 3 265.360 2.762 20 30 CFEDHN C=CCOCCN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903973 413586236 /nfs/dbraw/zinc/58/62/36/413586236.db2.gz MJGCVPJNJAAZIS-CQSZACIVSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC)CC1 ZINC000660818967 413591994 /nfs/dbraw/zinc/59/19/94/413591994.db2.gz FOIUPWAKSMWAQC-ZBFHGGJFSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1 ZINC000664181769 413624118 /nfs/dbraw/zinc/62/41/18/413624118.db2.gz LHJUIOUSNABYQG-HNNXBMFYSA-N 0 3 291.439 2.659 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2ncnn2C(C)(C)C)C1 ZINC000651794892 413644450 /nfs/dbraw/zinc/64/44/50/413644450.db2.gz FVIBPJGCHFBZKX-CHWSQXEVSA-N 0 3 262.401 2.868 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2ncccc2N(C)C)C1 ZINC000651813298 413656129 /nfs/dbraw/zinc/65/61/29/413656129.db2.gz DVACHBYUWWLDGA-KGLIPLIRSA-N 0 3 259.397 2.982 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)c(OC)cc1OC ZINC000651822704 413662869 /nfs/dbraw/zinc/66/28/69/413662869.db2.gz HCSYLWXJMBDCDR-KGLIPLIRSA-N 0 3 295.354 2.666 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2cnccc2o1 ZINC000651822691 413664023 /nfs/dbraw/zinc/66/40/23/413664023.db2.gz GTXQUJGZVUDIMO-KGLIPLIRSA-N 0 3 258.321 2.651 20 30 CFEDHN C=CCCn1cc(CNCC(C(C)C)C(C)C)nn1 ZINC000657444670 413611628 /nfs/dbraw/zinc/61/16/28/413611628.db2.gz JEPLBIACCFKKTE-UHFFFAOYSA-N 0 3 264.417 2.872 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000660844622 413614648 /nfs/dbraw/zinc/61/46/48/413614648.db2.gz RCXGJFHXSMOIAF-YCPHGPKFSA-N 0 3 291.439 2.657 20 30 CFEDHN C=CCCn1cc(CNC[C@H](C)CC(F)(F)F)nn1 ZINC000657493100 413681012 /nfs/dbraw/zinc/68/10/12/413681012.db2.gz XFICNZYIOTXNSU-SNVBAGLBSA-N 0 3 276.306 2.532 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccc(S(C)(=O)=O)o1 ZINC000657529882 413714701 /nfs/dbraw/zinc/71/47/01/413714701.db2.gz KJOZSAMJDHBWFN-GXTWGEPZSA-N 0 3 297.420 2.908 20 30 CFEDHN C=C(C)COc1cc(CN(C)[C@H](C)CCO)ccc1OC ZINC000652047357 413792575 /nfs/dbraw/zinc/79/25/75/413792575.db2.gz MUOHDPVARTXTMN-CQSZACIVSA-N 0 3 293.407 2.853 20 30 CFEDHN C=CCOc1ccc(CNCCO[C@@H]2CC2(F)F)cc1 ZINC000657618153 413795868 /nfs/dbraw/zinc/79/58/68/413795868.db2.gz QMYLZKTYXFPXFN-CQSZACIVSA-N 0 3 283.318 2.765 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654317742 413809144 /nfs/dbraw/zinc/80/91/44/413809144.db2.gz INULOMNAMBFEKA-SOUVJXGZSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC1(NCc2ncc(C)s2)CCOCC1 ZINC000657635099 413811325 /nfs/dbraw/zinc/81/13/25/413811325.db2.gz VLPOREWPAOMMPA-UHFFFAOYSA-N 0 3 252.383 2.666 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H](CC)CN2CCCC2)C1 ZINC000664410179 413749182 /nfs/dbraw/zinc/74/91/82/413749182.db2.gz SZYZRYICELPTHU-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC)CN1CCCC1 ZINC000664409954 413749520 /nfs/dbraw/zinc/74/95/20/413749520.db2.gz RSFWDFRCWWCFQB-HRCADAONSA-N 0 3 291.439 2.753 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(C)on1 ZINC000661119058 413768835 /nfs/dbraw/zinc/76/88/35/413768835.db2.gz PGDZMXJCJGROMS-QWHCGFSZSA-N 0 3 277.368 2.646 20 30 CFEDHN C=CCOc1ccccc1CNCCC1(CO)CCC1 ZINC000652035547 413781153 /nfs/dbraw/zinc/78/11/53/413781153.db2.gz ZEWJIPJBOOVVPH-UHFFFAOYSA-N 0 3 275.392 2.894 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2cc(=O)n3ccccc3n2)C1 ZINC000652039066 413784544 /nfs/dbraw/zinc/78/45/44/413784544.db2.gz KSBYDGHYVLDEHU-UONOGXRCSA-N 0 3 283.375 2.529 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661268426 413864720 /nfs/dbraw/zinc/86/47/20/413864720.db2.gz DLAQICNQOJKCMR-CQSZACIVSA-N 0 3 281.444 2.618 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000657702367 413867854 /nfs/dbraw/zinc/86/78/54/413867854.db2.gz FIQAMBNBDOVENQ-JKSUJKDBSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOCCCNCc1c(C)nn(CCC)c1C ZINC000657658371 413826771 /nfs/dbraw/zinc/82/67/71/413826771.db2.gz UUHVVQDQZXLPHS-UHFFFAOYSA-N 0 3 265.401 2.592 20 30 CFEDHN C=CCOCCCNCc1cc(Cl)cc2c1OCC2 ZINC000657658179 413826931 /nfs/dbraw/zinc/82/69/31/413826931.db2.gz OEXMSFRBFGVVKY-UHFFFAOYSA-N 0 3 281.783 2.957 20 30 CFEDHN C=CCOCCCNCc1cn(-c2ccccc2)nc1C ZINC000657658377 413828330 /nfs/dbraw/zinc/82/83/30/413828330.db2.gz VHCAPRCHTPAFDG-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661232308 413833442 /nfs/dbraw/zinc/83/34/42/413833442.db2.gz CXPJFBVLQHPLKI-ZDUSSCGKSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN(Cc1cccc(-n2cccn2)c1)[C@H](C)COC ZINC000661241461 413841323 /nfs/dbraw/zinc/84/13/23/413841323.db2.gz YOEUPOSXRGEVCT-OAHLLOKOSA-N 0 3 285.391 2.895 20 30 CFEDHN C=CCN(CCCc1cc(CC)no1)[C@H](C)COC ZINC000661240974 413842744 /nfs/dbraw/zinc/84/27/44/413842744.db2.gz URQSLXQLTSGASU-CYBMUJFWSA-N 0 3 266.385 2.693 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)[C@H](C)COC ZINC000661243074 413844910 /nfs/dbraw/zinc/84/49/10/413844910.db2.gz XQIKZNCNFQGBRP-CYBMUJFWSA-N 0 3 294.370 2.677 20 30 CFEDHN C=CCN(Cc1ccc(-n2cccn2)cc1)[C@@H](C)COC ZINC000661242883 413848092 /nfs/dbraw/zinc/84/80/92/413848092.db2.gz GORSWZSOJIRBFG-HNNXBMFYSA-N 0 3 285.391 2.895 20 30 CFEDHN C=CCN(CCOc1ccccc1F)[C@H](C)COC ZINC000661247329 413850414 /nfs/dbraw/zinc/85/04/14/413850414.db2.gz PKWNDTRHVQBCGI-CYBMUJFWSA-N 0 3 267.344 2.727 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2C[C@]2(C)OC)ccc1OC ZINC000657788175 413932576 /nfs/dbraw/zinc/93/25/76/413932576.db2.gz IHFZLYZIAXLOEL-SJORKVTESA-N 0 3 291.391 2.917 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000661379431 413938301 /nfs/dbraw/zinc/93/83/01/413938301.db2.gz YKEIIXFAZHMZFL-OAHLLOKOSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000661378868 413939518 /nfs/dbraw/zinc/93/95/18/413939518.db2.gz NLTMNNALPWUINW-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H]1CCCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000661385443 413941288 /nfs/dbraw/zinc/94/12/88/413941288.db2.gz OSGLCLXVUQMTSX-QWRGUYRKSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000661380226 413944994 /nfs/dbraw/zinc/94/49/94/413944994.db2.gz LFXLSKOKOOWSKQ-ZIAGYGMSSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCOc1ccc(CNCC2=CCCOC2)cc1 ZINC000285612290 196342743 /nfs/dbraw/zinc/34/27/43/196342743.db2.gz QECFAFGZGTXIGE-UHFFFAOYSA-N 0 3 259.349 2.688 20 30 CFEDHN C=CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000664867997 413987393 /nfs/dbraw/zinc/98/73/93/413987393.db2.gz VGABEZVZQNGTPC-HIFRSBDPSA-N 0 3 275.396 2.553 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000661515737 414032058 /nfs/dbraw/zinc/03/20/58/414032058.db2.gz UFORFXJXSZIXAG-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)C1 ZINC000661515735 414032494 /nfs/dbraw/zinc/03/24/94/414032494.db2.gz UFORFXJXSZIXAG-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN C#CCN[C@H](C)c1ccc(F)c(Br)c1 ZINC000037184904 173016192 /nfs/dbraw/zinc/01/61/92/173016192.db2.gz NERQZWKXPKUMPQ-MRVPVSSYSA-N 0 3 256.118 2.872 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CCF)C1 ZINC000661695670 414142149 /nfs/dbraw/zinc/14/21/49/414142149.db2.gz HEWXFBHANGBSHS-LSDHHAIUSA-N 0 3 282.403 2.647 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(C(F)F)nc1 ZINC000658030965 414116559 /nfs/dbraw/zinc/11/65/59/414116559.db2.gz AKYRFYZVZLTHDH-ZYHUDNBSSA-N 0 3 270.323 2.997 20 30 CFEDHN C=CCN(CC(=O)NCCc1ccc(F)cc1)C(C)(C)C ZINC000661755690 414195543 /nfs/dbraw/zinc/19/55/43/414195543.db2.gz OMKUQCZGWHASJR-UHFFFAOYSA-N 0 3 292.398 2.771 20 30 CFEDHN C=CCCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000658117500 414217137 /nfs/dbraw/zinc/21/71/37/414217137.db2.gz VOEOBFSJIXAEJN-LLVKDONJSA-N 0 3 274.343 2.942 20 30 CFEDHN O[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000661832718 414247363 /nfs/dbraw/zinc/24/73/63/414247363.db2.gz HHSPWXIXNZOBON-CABCVRRESA-N 0 3 275.779 2.585 20 30 CFEDHN O[C@@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000661831261 414248028 /nfs/dbraw/zinc/24/80/28/414248028.db2.gz NBHBKYALYFJWJH-HUUCEWRRSA-N 0 3 275.779 2.585 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C2CCC2)C1 ZINC000665284381 414255007 /nfs/dbraw/zinc/25/50/07/414255007.db2.gz JJBQNTDGBUHWFJ-HNNXBMFYSA-N 0 3 264.413 2.533 20 30 CFEDHN CC[C@@H]1C[C@@H](CN2CCC(F)(C#N)CC2)CCO1 ZINC000348713456 287281472 /nfs/dbraw/zinc/28/14/72/287281472.db2.gz KUHJHLIUHHCEJG-QWHCGFSZSA-N 0 3 254.349 2.519 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665555057 414373771 /nfs/dbraw/zinc/37/37/71/414373771.db2.gz XJNWDGHJDXYPOC-KGLIPLIRSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000658333611 414383631 /nfs/dbraw/zinc/38/36/31/414383631.db2.gz PTOFDFMOPVUKAJ-OCCSQVGLSA-N 0 3 251.757 2.854 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000665394346 414322592 /nfs/dbraw/zinc/32/25/92/414322592.db2.gz JRZWXHSVYZFUHL-BZUAXINKSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CNCc1cn(-c2ccccc2F)nc1C ZINC000655770420 414421568 /nfs/dbraw/zinc/42/15/68/414421568.db2.gz JWPYGVHHBOHALN-UHFFFAOYSA-N 0 3 259.328 2.986 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2c(C3CC3)cnn2C)n1 ZINC000659010738 414431039 /nfs/dbraw/zinc/43/10/39/414431039.db2.gz YMDKJVPJXABCMA-JTQLQIEISA-N 0 3 286.360 2.553 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000659017927 414436005 /nfs/dbraw/zinc/43/60/05/414436005.db2.gz JPIXUCGVPBICMZ-ZDUSSCGKSA-N 0 3 273.380 2.965 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCC1CC1)CC1CC1 ZINC000662179461 414447250 /nfs/dbraw/zinc/44/72/50/414447250.db2.gz FYDGGLDEOZWJCA-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC(C)(C)CC ZINC000662080334 414397966 /nfs/dbraw/zinc/39/79/66/414397966.db2.gz OMVZBXZULWVIRI-MELADBBJSA-N 0 3 264.413 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000662079305 414398176 /nfs/dbraw/zinc/39/81/76/414398176.db2.gz MFYBARWASMJUQQ-GEEKYZPCSA-N 0 3 276.424 2.959 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCCCCS(=O)(=O)CC ZINC000662089539 414404021 /nfs/dbraw/zinc/40/40/21/414404021.db2.gz BVQFOSJYSDTMIB-GASCZTMLSA-N 0 3 285.453 2.774 20 30 CFEDHN C=CCCC1(CNC(=O)C[C@@H]2CSCCN2)CCCC1 ZINC000659335165 414502017 /nfs/dbraw/zinc/50/20/17/414502017.db2.gz UUUVVKOJTGCPRZ-CQSZACIVSA-N 0 3 296.480 2.724 20 30 CFEDHN COCC#CCN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000656596213 414612703 /nfs/dbraw/zinc/61/27/03/414612703.db2.gz MYQDHBFMLIIYLT-KRWDZBQOSA-N 0 3 287.403 2.520 20 30 CFEDHN C=CCC1(NC(=O)c2ccc3c(c2)CNC3)CCCC1 ZINC000662888824 414628056 /nfs/dbraw/zinc/62/80/56/414628056.db2.gz NBOUEPAULHNSPM-UHFFFAOYSA-N 0 3 270.376 2.909 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCNC2(CCCCC2)C1 ZINC000656363564 414564853 /nfs/dbraw/zinc/56/48/53/414564853.db2.gz HRIQHGXMXMDRFW-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCC1(CNC(=O)C(N)C(F)(F)F)CCCC1 ZINC000662620448 414578358 /nfs/dbraw/zinc/57/83/58/414578358.db2.gz IJQTWXIJYQCJMK-SNVBAGLBSA-N 0 3 278.318 2.519 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)n1cc(CCN(C)C)nn1 ZINC000656457111 414581074 /nfs/dbraw/zinc/58/10/74/414581074.db2.gz GAIJJRKTILOMKN-QGZVFWFLSA-N 0 3 284.407 2.742 20 30 CFEDHN CN1CCC[C@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000044537869 175200050 /nfs/dbraw/zinc/20/00/50/175200050.db2.gz NVWDJVGIRSDKBJ-CYBMUJFWSA-N 0 3 284.407 2.586 20 30 CFEDHN C=CCCCN(C)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000077176942 177230364 /nfs/dbraw/zinc/23/03/64/177230364.db2.gz WRJFACJYPJKVQK-MRXNPFEDSA-N 0 3 291.391 2.527 20 30 CFEDHN C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)N(C)CCC#N ZINC000078595484 177357484 /nfs/dbraw/zinc/35/74/84/177357484.db2.gz MZCAQODKKAVVGK-VXGBXAGGSA-N 0 3 293.798 2.751 20 30 CFEDHN N#CCCCOc1cccc(CN[C@H]2CCSC2)c1 ZINC000344765025 225159312 /nfs/dbraw/zinc/15/93/12/225159312.db2.gz OQBUZKUTFDMLHS-AWEZNQCLSA-N 0 3 276.405 2.964 20 30 CFEDHN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000334743316 225299757 /nfs/dbraw/zinc/29/97/57/225299757.db2.gz RMGFMIBJSRKAAE-SMDDNHRTSA-N 0 3 260.312 2.957 20 30 CFEDHN Cc1cc(C)cc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345038777 225260209 /nfs/dbraw/zinc/26/02/09/225260209.db2.gz VANDNWMJMPHEIE-GJZGRUSLSA-N 0 3 299.418 2.905 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000347115207 226030985 /nfs/dbraw/zinc/03/09/85/226030985.db2.gz PRNSMMNLHFMTTG-WZRBSPASSA-N 0 3 260.312 2.690 20 30 CFEDHN CC(C#N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000347092566 226046171 /nfs/dbraw/zinc/04/61/71/226046171.db2.gz AERWLIDUOFORNO-NSHDSACASA-N 0 3 260.362 2.587 20 30 CFEDHN C=CCCC[C@H](C)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000575174538 335075295 /nfs/dbraw/zinc/07/52/95/335075295.db2.gz IOLNQSFDSXTZTO-ZDUSSCGKSA-N 0 3 299.411 2.934 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000171736625 335076629 /nfs/dbraw/zinc/07/66/29/335076629.db2.gz VVBGMPRPOODZDG-GOEBONIOSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000354539676 227027178 /nfs/dbraw/zinc/02/71/78/227027178.db2.gz HFCFQMUIRWTZBZ-LSDHHAIUSA-N 0 3 287.407 2.715 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000352530150 227032054 /nfs/dbraw/zinc/03/20/54/227032054.db2.gz HXIYOFITZUSRQC-MPKXVKKWSA-N 0 3 260.312 2.738 20 30 CFEDHN N#CC[C@@H](CC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000354598491 227045950 /nfs/dbraw/zinc/04/59/50/227045950.db2.gz KPBLYOQWYVFGPQ-KRWDZBQOSA-N 0 3 299.418 2.676 20 30 CFEDHN Cc1ccc(CCCN2CCC(C)(C#N)CC2)cn1 ZINC000354606807 227047577 /nfs/dbraw/zinc/04/75/77/227047577.db2.gz SJRXRPOOXVYBKD-UHFFFAOYSA-N 0 3 257.381 2.948 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000352606441 227104839 /nfs/dbraw/zinc/10/48/39/227104839.db2.gz HBZKWHIKCIFTIT-GFCCVEGCSA-N 0 3 265.316 2.524 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C=C[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000352842965 227318859 /nfs/dbraw/zinc/31/88/59/227318859.db2.gz PPRCCKCRDLQOAV-WCQYABFASA-N 0 3 296.292 2.604 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CCCCF)CC1 ZINC000367137867 227353598 /nfs/dbraw/zinc/35/35/98/227353598.db2.gz LVGRWUSRKXGOLM-UHFFFAOYSA-N 0 3 261.344 2.688 20 30 CFEDHN O=C(NCc1nccn1C(F)F)C1CCN(C2CC2)CC1 ZINC000330257993 228083100 /nfs/dbraw/zinc/08/31/00/228083100.db2.gz LZIBJFVETPUIJK-UHFFFAOYSA-N 0 3 298.337 2.609 20 30 CFEDHN COc1cccc(C2(N[C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000353841017 228157908 /nfs/dbraw/zinc/15/79/08/228157908.db2.gz CZHGETVSDRZQMW-GXTWGEPZSA-N 0 3 256.349 2.966 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000333056791 228189066 /nfs/dbraw/zinc/18/90/66/228189066.db2.gz HPMIHDPUGVTUIT-DZKIICNBSA-N 0 3 289.423 2.592 20 30 CFEDHN N#CC1(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCC1 ZINC000333635899 228207697 /nfs/dbraw/zinc/20/76/97/228207697.db2.gz BCISJHGDCZBSOC-ZDUSSCGKSA-N 0 3 285.395 2.555 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000187360177 260033597 /nfs/dbraw/zinc/03/35/97/260033597.db2.gz OOECWHAQOFQPSH-KRWDZBQOSA-N 0 3 298.386 2.784 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)c1c[nH]c(C#N)c1 ZINC000521317878 260043374 /nfs/dbraw/zinc/04/33/74/260043374.db2.gz BOHROMUDOHOZOR-UHFFFAOYSA-N 0 3 297.362 2.556 20 30 CFEDHN C#CCN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179694463 260064288 /nfs/dbraw/zinc/06/42/88/260064288.db2.gz JJGXYQWLHJXMPX-CQSZACIVSA-N 0 3 266.344 2.944 20 30 CFEDHN C=CCCCC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000363348114 260105805 /nfs/dbraw/zinc/10/58/05/260105805.db2.gz NSJWZSVPPQRWOQ-UHFFFAOYSA-N 0 3 287.407 2.865 20 30 CFEDHN C#CCN1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000374021518 260131587 /nfs/dbraw/zinc/13/15/87/260131587.db2.gz GHYOFBZTJCALGU-HNNXBMFYSA-N 0 3 292.423 2.731 20 30 CFEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C#N)CCCC1 ZINC000407979588 260142565 /nfs/dbraw/zinc/14/25/65/260142565.db2.gz CKLVHXDSIINDJY-KFWWJZLASA-N 0 3 291.439 2.553 20 30 CFEDHN C#CCOc1ccccc1CNCCN1CCC[C@@H](C)C1 ZINC000067672296 260144308 /nfs/dbraw/zinc/14/43/08/260144308.db2.gz JQLXBYYYAGNTIW-MRXNPFEDSA-N 0 3 286.419 2.520 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCCOCC(F)F)cc1 ZINC000188746483 260186539 /nfs/dbraw/zinc/18/65/39/260186539.db2.gz KNDKFKBVQMLJBU-LBPRGKRZSA-N 0 3 283.318 2.631 20 30 CFEDHN N#CCCCCN1CCC(NC(=O)c2ccsc2)CC1 ZINC000363385880 260190406 /nfs/dbraw/zinc/19/04/06/260190406.db2.gz GQMFHISNXDGYPA-UHFFFAOYSA-N 0 3 291.420 2.636 20 30 CFEDHN CC(C)[C@@H](CNC[C@H](C)C#N)CNC(=O)OC(C)(C)C ZINC000230944009 260196360 /nfs/dbraw/zinc/19/63/60/260196360.db2.gz VQIAELBQPUHECT-OLZOCXBDSA-N 0 3 283.416 2.533 20 30 CFEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000525486773 260197300 /nfs/dbraw/zinc/19/73/00/260197300.db2.gz HHPKNBQXUIDZLI-OAHLLOKOSA-N 0 3 280.371 2.941 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CC)[C@@H](O)CC ZINC000313096976 260247222 /nfs/dbraw/zinc/24/72/22/260247222.db2.gz XCZXDDQUHKNSEY-GJZGRUSLSA-N 0 3 263.381 2.891 20 30 CFEDHN N#Cc1ccc(CNCCOCC2CCCC2)s1 ZINC000313262244 260273572 /nfs/dbraw/zinc/27/35/72/260273572.db2.gz BGJYFCBVNFXNSF-UHFFFAOYSA-N 0 3 264.394 2.916 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449212569 260295640 /nfs/dbraw/zinc/29/56/40/260295640.db2.gz ZUPIZNJOFDPGHS-BXKDBHETSA-N 0 3 285.309 2.865 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NCC(C)(C)C#N)CC2 ZINC000126727293 260357025 /nfs/dbraw/zinc/35/70/25/260357025.db2.gz RMHFLEDNLWKCHZ-AWEZNQCLSA-N 0 3 258.365 2.692 20 30 CFEDHN C[C@@H](NCCOCC1CC1)c1ccc(OCC#N)cc1 ZINC000223732978 260358259 /nfs/dbraw/zinc/35/82/59/260358259.db2.gz VQVZUKSPWAHQPC-CYBMUJFWSA-N 0 3 274.364 2.666 20 30 CFEDHN C#CCCN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000371183767 260781221 /nfs/dbraw/zinc/78/12/21/260781221.db2.gz KQPIUTREBRIUSZ-KRWDZBQOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N(C)CC2CC2)CCCC1(C)C ZINC000444788558 261179874 /nfs/dbraw/zinc/17/98/74/261179874.db2.gz WNNHQMGHECJIED-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@H]2CCCC[C@H]2C)CC1 ZINC000490670488 261180898 /nfs/dbraw/zinc/18/08/98/261180898.db2.gz MROPQCSXEUGBCO-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000490670483 261181045 /nfs/dbraw/zinc/18/10/45/261181045.db2.gz MROPQCSXEUGBCO-HOTGVXAUSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN(CCC1OCCCO1)[C@H]1CCc2ccccc21 ZINC000490800532 261210628 /nfs/dbraw/zinc/21/06/28/261210628.db2.gz TWXJCCPZRDIUJM-KRWDZBQOSA-N 0 3 285.387 2.762 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C)CC1 ZINC000249825149 261258554 /nfs/dbraw/zinc/25/85/54/261258554.db2.gz JJWHWODPMGKJLG-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H]1C1CC1)C(C)C ZINC000176070526 261263716 /nfs/dbraw/zinc/26/37/16/261263716.db2.gz QOEBWMLRPZPVCL-BRWVUGGUSA-N 0 3 290.451 2.847 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000104066426 261290228 /nfs/dbraw/zinc/29/02/28/261290228.db2.gz UHWJODNCECDTJU-KRWDZBQOSA-N 0 3 288.435 2.785 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(C)CC2)CC1 ZINC000106276000 261324512 /nfs/dbraw/zinc/32/45/12/261324512.db2.gz UEFXPCWJGGDUSV-UHFFFAOYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C2CC2)C2CC2)CC1 ZINC000106274891 261324748 /nfs/dbraw/zinc/32/47/48/261324748.db2.gz SJWLPXPRFBABMP-UHFFFAOYSA-N 0 3 291.439 2.515 20 30 CFEDHN C#CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000491145420 261349026 /nfs/dbraw/zinc/34/90/26/261349026.db2.gz LENRUMMOZGVFIH-UHFFFAOYSA-N 0 3 292.423 2.731 20 30 CFEDHN C#CCNC(=O)CCN(C)[C@H](C)c1cc2ccccc2o1 ZINC000491201049 261368063 /nfs/dbraw/zinc/36/80/63/261368063.db2.gz FFJMVVGMMCUPPC-CYBMUJFWSA-N 0 3 284.359 2.565 20 30 CFEDHN C#CCN(CCc1ccccn1)Cc1ccccc1 ZINC000491209604 261371285 /nfs/dbraw/zinc/37/12/85/261371285.db2.gz JEZUGXPJVVVMQK-UHFFFAOYSA-N 0 3 250.345 2.760 20 30 CFEDHN CC[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000181058562 261883766 /nfs/dbraw/zinc/88/37/66/261883766.db2.gz UUBJFMBIEMEGDH-ZBFHGGJFSA-N 0 3 257.381 2.667 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000309723475 262009349 /nfs/dbraw/zinc/00/93/49/262009349.db2.gz MUOSCDCNRHKUPU-QGPMSJSTSA-N 0 3 299.418 2.705 20 30 CFEDHN CC(C)OCCNCc1ccc(N(C)CCC#N)cc1 ZINC000184168887 262011446 /nfs/dbraw/zinc/01/14/46/262011446.db2.gz LVKPYCDQZXUICP-UHFFFAOYSA-N 0 3 275.396 2.551 20 30 CFEDHN C#C[C@H](CC)NCc1cnc2ccc(Br)cn12 ZINC000491788555 262052351 /nfs/dbraw/zinc/05/23/51/262052351.db2.gz XOIUWYQDGAPBOG-LLVKDONJSA-N 0 3 292.180 2.598 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](C)OC)c([O-])c1 ZINC000188127839 262149552 /nfs/dbraw/zinc/14/95/52/262149552.db2.gz AQPCIFYFKHDFEZ-JASJWYONSA-N 0 3 264.369 2.692 20 30 CFEDHN CC(C#N)C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000525770651 262166616 /nfs/dbraw/zinc/16/66/16/262166616.db2.gz XFEHYCUSQLYWRD-ZDUSSCGKSA-N 0 3 278.396 2.734 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3c2OCO3)C1 ZINC000192713104 262209562 /nfs/dbraw/zinc/20/95/62/262209562.db2.gz XEKLPNSINMAUIK-WCQYABFASA-N 0 3 258.321 2.587 20 30 CFEDHN CCc1noc(CC)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000192945449 262212735 /nfs/dbraw/zinc/21/27/35/262212735.db2.gz ODFZHENLOZCTQO-VXGBXAGGSA-N 0 3 261.369 2.971 20 30 CFEDHN CC#CCCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000364532935 262253534 /nfs/dbraw/zinc/25/35/34/262253534.db2.gz OWVLHEHLGCSXOA-OAHLLOKOSA-N 0 3 253.349 2.697 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000111259775 262258741 /nfs/dbraw/zinc/25/87/41/262258741.db2.gz ZNYMXNBYSXFHFX-CQSZACIVSA-N 0 3 272.392 2.936 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000364739966 262260861 /nfs/dbraw/zinc/26/08/61/262260861.db2.gz WPFGAYOPNYBHOB-GJZGRUSLSA-N 0 3 288.391 2.540 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000119372006 262274272 /nfs/dbraw/zinc/27/42/72/262274272.db2.gz PDQBTLSBIXOMHN-BXUZGUMPSA-N 0 3 278.783 2.519 20 30 CFEDHN C=CCCCCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000354638857 262279005 /nfs/dbraw/zinc/27/90/05/262279005.db2.gz VPEIDABDOTUEOL-MJBXVCDLSA-N 0 3 252.402 2.720 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C)(C(C)C)CC1 ZINC000186198640 262311739 /nfs/dbraw/zinc/31/17/39/262311739.db2.gz DJMKZVBNAXEXBQ-OAHLLOKOSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186710940 262321244 /nfs/dbraw/zinc/32/12/44/262321244.db2.gz OUQQSJRANCBNEU-DZGCQCFKSA-N 0 3 278.352 2.963 20 30 CFEDHN C=CCCCC(=O)N1CC[C@@H](N)c2cc(OC)ccc21 ZINC000365222321 262352324 /nfs/dbraw/zinc/35/23/24/262352324.db2.gz RDSSKGRYFKPWSI-CQSZACIVSA-N 0 3 274.364 2.788 20 30 CFEDHN CCCN(CCN[C@@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496831865 262357168 /nfs/dbraw/zinc/35/71/68/262357168.db2.gz XDTLEQNHGOSVLU-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN1CC[C@@H](N(C2CC2)C2CCC(C)CC2)C1=O ZINC000337126066 262423237 /nfs/dbraw/zinc/42/32/37/262423237.db2.gz FPORGSKVOAKELX-ZBCRRDGASA-N 0 3 276.424 2.816 20 30 CFEDHN C=CCN1CC[C@H](N[C@@]2(C)CCCc3ccccc32)C1=O ZINC000337153258 262424649 /nfs/dbraw/zinc/42/46/49/262424649.db2.gz LSZDIXPKBNRTMO-WMZOPIPTSA-N 0 3 284.403 2.615 20 30 CFEDHN CC(C)(C#N)CCN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411924735 262710953 /nfs/dbraw/zinc/71/09/53/262710953.db2.gz MNXDVTJEBCFTPQ-CABCVRRESA-N 0 3 258.365 2.734 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000412972015 262753621 /nfs/dbraw/zinc/75/36/21/262753621.db2.gz SVXJQQJVTPIWQW-WDEREUQCSA-N 0 3 287.338 2.524 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cc(C(=O)OCC)co1 ZINC000437251361 263007604 /nfs/dbraw/zinc/00/76/04/263007604.db2.gz ZVUJKWSDSZKENV-IUODEOHRSA-N 0 3 293.363 2.527 20 30 CFEDHN COCCc1nc(C)c([C@@H](C)NCCCC#N)s1 ZINC000273256234 263014460 /nfs/dbraw/zinc/01/44/60/263014460.db2.gz MAQMIBSTFUEYQV-SNVBAGLBSA-N 0 3 267.398 2.595 20 30 CFEDHN COCc1cc([C@@H](C)NCCCC#N)ccc1OC ZINC000273282979 263014738 /nfs/dbraw/zinc/01/47/38/263014738.db2.gz QVUQMTFZXRJIOO-GFCCVEGCSA-N 0 3 262.353 2.796 20 30 CFEDHN CN(C)c1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000274193030 263021822 /nfs/dbraw/zinc/02/18/22/263021822.db2.gz ILNHPBMJHMSLGE-UKRRQHHQSA-N 0 3 257.381 2.925 20 30 CFEDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000274660636 263029103 /nfs/dbraw/zinc/02/91/03/263029103.db2.gz VNPJWHKPFNUNLV-GHJWDPDVSA-N 0 3 271.364 2.988 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/CCC(C)(C)O)c([O-])c1 ZINC000274832411 263030710 /nfs/dbraw/zinc/03/07/10/263030710.db2.gz OJVZFIYJXZGJGD-SFQUDFHCSA-N 0 3 278.396 2.818 20 30 CFEDHN Cc1ccc([C@H](CCn2cncn2)NCCCC#N)cc1 ZINC000275639310 263033833 /nfs/dbraw/zinc/03/38/33/263033833.db2.gz CEAPIECVGFWYOD-INIZCTEOSA-N 0 3 283.379 2.611 20 30 CFEDHN C[C@@H]1CSCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000276967416 263038876 /nfs/dbraw/zinc/03/88/76/263038876.db2.gz XTAKVEKNRGXIBD-ZDUSSCGKSA-N 0 3 276.405 2.774 20 30 CFEDHN CN(C)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000278160540 263045597 /nfs/dbraw/zinc/04/55/97/263045597.db2.gz AXHRHSAXVLDLAY-UKRRQHHQSA-N 0 3 257.381 2.925 20 30 CFEDHN CN(C)c1cccc(CN(C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000278521708 263048555 /nfs/dbraw/zinc/04/85/55/263048555.db2.gz CPIHGNZWICVJNZ-BBRMVZONSA-N 0 3 257.381 2.877 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000452227797 263048559 /nfs/dbraw/zinc/04/85/59/263048559.db2.gz DNALIKXRMIXKDK-RGOKHQFPSA-N 0 3 262.275 2.724 20 30 CFEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@@H]1CC[C@H](C#N)C1 ZINC000278672639 263049704 /nfs/dbraw/zinc/04/97/04/263049704.db2.gz RCRFYUHOSUZKGN-RRFJBIMHSA-N 0 3 286.375 2.841 20 30 CFEDHN N#Cc1ccccc1N1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278757714 263050629 /nfs/dbraw/zinc/05/06/29/263050629.db2.gz XPTKHPALLGMNRE-DOTOQJQBSA-N 0 3 294.402 2.763 20 30 CFEDHN CC[C@H](C)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279430616 263055216 /nfs/dbraw/zinc/05/52/16/263055216.db2.gz XRCHXKVUCUIKMD-XEZPLFJOSA-N 0 3 283.375 2.791 20 30 CFEDHN C=C(C)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000279406067 263055239 /nfs/dbraw/zinc/05/52/39/263055239.db2.gz MYDHYOWNTVAZKB-UHFFFAOYSA-N 0 3 281.363 2.524 20 30 CFEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280174199 263059353 /nfs/dbraw/zinc/05/93/53/263059353.db2.gz SQXCVBBXRVGOMW-OAHLLOKOSA-N 0 3 281.359 2.547 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000366592895 263068194 /nfs/dbraw/zinc/06/81/94/263068194.db2.gz QMIFWXYGAUTEGA-NVXWUHKLSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000366592897 263068291 /nfs/dbraw/zinc/06/82/91/263068291.db2.gz QMIFWXYGAUTEGA-WBVHZDCISA-N 0 3 294.439 2.976 20 30 CFEDHN CC(C)(C#N)CCCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000366601728 263069541 /nfs/dbraw/zinc/06/95/41/263069541.db2.gz ZJZSQDIAYVGONB-INIZCTEOSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccccc1)C1CCC1 ZINC000104698990 263078060 /nfs/dbraw/zinc/07/80/60/263078060.db2.gz NAVNBBIBMKIIJB-XJKSGUPXSA-N 0 3 272.392 2.808 20 30 CFEDHN N#CCCCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282952486 263079902 /nfs/dbraw/zinc/07/99/02/263079902.db2.gz ZILZJSUNIMUGSW-HNNXBMFYSA-N 0 3 278.783 2.935 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104704640 263081670 /nfs/dbraw/zinc/08/16/70/263081670.db2.gz CPYOMMPPVNHOOH-WBMJQRKESA-N 0 3 290.382 2.947 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000340167361 263082465 /nfs/dbraw/zinc/08/24/65/263082465.db2.gz WVSHFBKREOWYRU-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000285160293 263090722 /nfs/dbraw/zinc/09/07/22/263090722.db2.gz PKAOHXMHUZSDMI-WBVHZDCISA-N 0 3 287.407 2.654 20 30 CFEDHN C=CCCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340205629 263092833 /nfs/dbraw/zinc/09/28/33/263092833.db2.gz ZZCKWXKOXNNXMU-MNOVXSKESA-N 0 3 251.292 2.730 20 30 CFEDHN CCCCOCCNC(=N)Nc1cc(F)ccc1F ZINC000288789396 263106020 /nfs/dbraw/zinc/10/60/20/263106020.db2.gz XLFPFGLGUVGJCA-UHFFFAOYSA-N 0 3 271.311 2.508 20 30 CFEDHN N#CCCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000289371656 263109635 /nfs/dbraw/zinc/10/96/35/263109635.db2.gz PGCRJLBTFMSJGD-UHFFFAOYSA-N 0 3 280.375 2.661 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC#N ZINC000292028271 263127395 /nfs/dbraw/zinc/12/73/95/263127395.db2.gz DLWFEVLCPNVVSV-INIZCTEOSA-N 0 3 299.418 2.803 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCC#N ZINC000292120311 263128612 /nfs/dbraw/zinc/12/86/12/263128612.db2.gz NAVWXWIGHWYOFP-NVXWUHKLSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@H]1C[C@@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292116624 263128716 /nfs/dbraw/zinc/12/87/16/263128716.db2.gz MTNKZRKYQXBSCU-RDJZCZTQSA-N 0 3 299.418 2.850 20 30 CFEDHN CC(C)N(CCOCCC#N)Cc1cccc(F)c1 ZINC000293439267 263140465 /nfs/dbraw/zinc/14/04/65/263140465.db2.gz JWTUJTNOXREHQE-UHFFFAOYSA-N 0 3 264.344 2.966 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(c3ccncc3)CC2)C1 ZINC000293678173 263146803 /nfs/dbraw/zinc/14/68/03/263146803.db2.gz AHHCTFCMLAJOBX-BBRMVZONSA-N 0 3 255.365 2.953 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)[C@H](O)C(F)F ZINC000296576467 263192951 /nfs/dbraw/zinc/19/29/51/263192951.db2.gz TZKOGIANQBTCAQ-SWHYSGLUSA-N 0 3 298.333 2.644 20 30 CFEDHN C[C@H]1C[C@H](NCC2CCC(C#N)CC2)c2nccn21 ZINC000296609570 263194062 /nfs/dbraw/zinc/19/40/62/263194062.db2.gz YIDNDEFEEAUOGP-ABXWRUBCSA-N 0 3 258.369 2.808 20 30 CFEDHN N#CCOc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000298430429 263219284 /nfs/dbraw/zinc/21/92/84/263219284.db2.gz VSBGODLHCSOZCX-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN C=CCN(C)C[C@H](O)c1ccccc1Br ZINC000121172100 263291935 /nfs/dbraw/zinc/29/19/35/263291935.db2.gz AZLFSPWSGWVMDX-LBPRGKRZSA-N 0 3 270.170 2.600 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000119838016 263278267 /nfs/dbraw/zinc/27/82/67/263278267.db2.gz DLOSHSDAYZSAOT-UONOGXRCSA-N 0 3 294.439 2.511 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000119838145 263278674 /nfs/dbraw/zinc/27/86/74/263278674.db2.gz DLOSHSDAYZSAOT-ZIAGYGMSSA-N 0 3 294.439 2.511 20 30 CFEDHN C=CCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000121634498 263296303 /nfs/dbraw/zinc/29/63/03/263296303.db2.gz YKXJHSMUEZHCSV-UHFFFAOYSA-N 0 3 287.319 2.910 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCSC1 ZINC000341051140 263319332 /nfs/dbraw/zinc/31/93/32/263319332.db2.gz ZNKLOKNSPNJZFK-LSDHHAIUSA-N 0 3 288.416 2.771 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(C)nn(C(C)(C)C)c1C ZINC000341279846 263329840 /nfs/dbraw/zinc/32/98/40/263329840.db2.gz SSXQHMLKUHCYAL-AWEZNQCLSA-N 0 3 279.428 2.529 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cnc(-c2ccc(C)o2)s1 ZINC000341280196 263330053 /nfs/dbraw/zinc/33/00/53/263330053.db2.gz GTOHVNXYMBWBMV-GFCCVEGCSA-N 0 3 292.404 2.986 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC(C(C)(C)C)CC1 ZINC000341452910 263336007 /nfs/dbraw/zinc/33/60/07/263336007.db2.gz BBAKTERGZGRBFQ-UHFFFAOYSA-N 0 3 278.440 2.945 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000341796272 263349786 /nfs/dbraw/zinc/34/97/86/263349786.db2.gz MBVQRGKLICXIKL-TYNCELHUSA-N 0 3 293.436 2.842 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](Cc1ccccn1)c1cccnc1 ZINC000341878240 263361824 /nfs/dbraw/zinc/36/18/24/263361824.db2.gz MLNYVWXKTCUGNP-MAUKXSAKSA-N 0 3 297.402 2.535 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000341880982 263362442 /nfs/dbraw/zinc/36/24/42/263362442.db2.gz QMGQHYGFNAKWKK-CHWSQXEVSA-N 0 3 280.387 2.727 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000341884028 263363088 /nfs/dbraw/zinc/36/30/88/263363088.db2.gz JVDLFHCENIEAMS-RDJZCZTQSA-N 0 3 299.418 2.767 20 30 CFEDHN CC[C@@H](C)[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000341911497 263365985 /nfs/dbraw/zinc/36/59/85/263365985.db2.gz VAMGWHOFOLJMRM-IAQYHMDHSA-N 0 3 293.798 2.657 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000342009784 263377011 /nfs/dbraw/zinc/37/70/11/263377011.db2.gz BSWUDSPDPSEXJE-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN COCC1(C#N)CCN(Cc2ccccc2N(C)C)CC1 ZINC000341987807 263381194 /nfs/dbraw/zinc/38/11/94/263381194.db2.gz ILYIEVZSUUKEHN-UHFFFAOYSA-N 0 3 287.407 2.505 20 30 CFEDHN COCC1(C#N)CCN(CCCCC(C)(C)C#N)CC1 ZINC000341987595 263381219 /nfs/dbraw/zinc/38/12/19/263381219.db2.gz HFRDWXPETIVSJV-UHFFFAOYSA-N 0 3 277.412 2.959 20 30 CFEDHN CCN1CCC(NC(=O)N[C@@H](C)c2csc(C)n2)CC1 ZINC000330656782 263990181 /nfs/dbraw/zinc/99/01/81/263990181.db2.gz VIGDFWGYXYAXIG-JTQLQIEISA-N 0 3 296.440 2.500 20 30 CFEDHN CC[C@H](C(=O)N[C@]1(C#N)CCC[C@H](C)C1)N(CC)CC ZINC000330883402 264062254 /nfs/dbraw/zinc/06/22/54/264062254.db2.gz BEXCRMXWESLQJN-SQWLQELKSA-N 0 3 279.428 2.695 20 30 CFEDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2csc(=O)[n-]2)C1 ZINC000331005349 264106033 /nfs/dbraw/zinc/10/60/33/264106033.db2.gz ZHOIOLKCICRKPZ-PHIMTYICSA-N 0 3 297.424 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/nfs/dbraw/zinc/33/23/70/266332370.db2.gz KQRNUHOQJHDVGS-ZFWWWQNUSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1(C)CC1)C(C)C ZINC000357780817 266359421 /nfs/dbraw/zinc/35/94/21/266359421.db2.gz QJZVTKAMSMZPOV-OAHLLOKOSA-N 0 3 293.455 2.784 20 30 CFEDHN COc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000357794225 266364788 /nfs/dbraw/zinc/36/47/88/266364788.db2.gz FBSAQELYBGMQKN-LBPRGKRZSA-N 0 3 299.305 2.731 20 30 CFEDHN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000357809256 266369101 /nfs/dbraw/zinc/36/91/01/266369101.db2.gz VYWXWHYRHPOVBM-FZMZJTMJSA-N 0 3 288.347 2.527 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000357808521 266369628 /nfs/dbraw/zinc/36/96/28/266369628.db2.gz VTGURTUVUNEHAR-VIFPVBQESA-N 0 3 286.253 2.703 20 30 CFEDHN CC(C#N)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000357823793 266372988 /nfs/dbraw/zinc/37/29/88/266372988.db2.gz IOKCPNVHCWGZPS-LLVKDONJSA-N 0 3 299.305 2.789 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000358904387 266506173 /nfs/dbraw/zinc/50/61/73/266506173.db2.gz IUKRZMNKWWNNCT-BZHVJNSISA-N 0 3 296.729 2.585 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCCC#N)C1 ZINC000360040061 266671313 /nfs/dbraw/zinc/67/13/13/266671313.db2.gz WPQMHWWOJFDWIP-GOEBONIOSA-N 0 3 285.391 2.632 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)cn1)C1(CO)CCCC1 ZINC000516310015 266940773 /nfs/dbraw/zinc/94/07/73/266940773.db2.gz CREUEWFASYTKSF-MRXNPFEDSA-N 0 3 287.407 2.620 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000362368838 266969414 /nfs/dbraw/zinc/96/94/14/266969414.db2.gz CLKYORZMQVGSEL-HOCLYGCPSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CC)CC1 ZINC000362518928 267000084 /nfs/dbraw/zinc/00/00/84/267000084.db2.gz NHIMVXGBXNNQIH-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN CCCN(Cc1ccc(C#N)cn1)C[C@@H]1CCCCO1 ZINC000519612858 267016215 /nfs/dbraw/zinc/01/62/15/267016215.db2.gz XVPPIZNXMORANY-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN C[C@@H]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 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ZINC000370504693 267325455 /nfs/dbraw/zinc/32/54/55/267325455.db2.gz LAJORNPQUQJWBG-CABCVRRESA-N 0 3 289.423 2.546 20 30 CFEDHN CN1C(=O)c2ccccc2[C@@H]1CNCc1cc(C#N)cs1 ZINC000527804232 267329765 /nfs/dbraw/zinc/32/97/65/267329765.db2.gz CHSRCDCKANNXCV-HNNXBMFYSA-N 0 3 297.383 2.536 20 30 CFEDHN C#CCCN1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000370685235 267338636 /nfs/dbraw/zinc/33/86/36/267338636.db2.gz YUXBGJBOKOATDL-KRWDZBQOSA-N 0 3 292.423 2.733 20 30 CFEDHN CC(C)c1nccn1C[C@@H]1CCCN1CCCC#N ZINC000371068667 267349344 /nfs/dbraw/zinc/34/93/44/267349344.db2.gz IHSJARLPGDKFIK-AWEZNQCLSA-N 0 3 260.385 2.775 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418139514 267362600 /nfs/dbraw/zinc/36/26/00/267362600.db2.gz GUSYIGPFEYEGTO-GDBMZVCRSA-N 0 3 289.423 2.903 20 30 CFEDHN C#CCCOc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000371221319 267374269 /nfs/dbraw/zinc/37/42/69/267374269.db2.gz WECCLBJFFNNZLN-ROUUACIJSA-N 0 3 285.387 2.746 20 30 CFEDHN C#CCCN1CCC(c2ccnc(C(C)C)n2)CC1 ZINC000371228352 267374506 /nfs/dbraw/zinc/37/45/06/267374506.db2.gz XGCXNAIKTIIWAJ-UHFFFAOYSA-N 0 3 257.381 2.803 20 30 CFEDHN Cn1cc([C@H](NCCCCC#N)c2ccccc2)cn1 ZINC000376352201 267964813 /nfs/dbraw/zinc/96/48/13/267964813.db2.gz OMRIGHKOVNFOTQ-MRXNPFEDSA-N 0 3 268.364 2.793 20 30 CFEDHN C=C[C@H](C)NCc1cc(Br)c2c(c1)OCCO2 ZINC000123204614 268014425 /nfs/dbraw/zinc/01/44/25/268014425.db2.gz GRAZSNZANICIHV-VIFPVBQESA-N 0 3 298.180 2.884 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](C(=O)OC)C2)c1 ZINC000123211616 268015557 /nfs/dbraw/zinc/01/55/57/268015557.db2.gz VHMIEJONESHWCR-OAHLLOKOSA-N 0 3 289.375 2.636 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000123375138 268039800 /nfs/dbraw/zinc/03/98/00/268039800.db2.gz JBYCUKWRFJPSEO-ZIAGYGMSSA-N 0 3 277.412 2.544 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000377045904 268043263 /nfs/dbraw/zinc/04/32/63/268043263.db2.gz KZDZMMMIESWIAM-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3CCC2CC3)cc1 ZINC000373411022 268083887 /nfs/dbraw/zinc/08/38/87/268083887.db2.gz DXNZQZFZSPVTCW-CGZBRXJRSA-N 0 3 293.370 2.642 20 30 CFEDHN N#Cc1ccc(OCCN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185845905 268176109 /nfs/dbraw/zinc/17/61/09/268176109.db2.gz ODXYWIDIPRUKAN-LSDHHAIUSA-N 0 3 269.348 2.609 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](C3CCCC3)C2)nc1 ZINC000514796996 268222053 /nfs/dbraw/zinc/22/20/53/268222053.db2.gz XIJZSLJREPQJBX-HNNXBMFYSA-N 0 3 255.365 2.965 20 30 CFEDHN N#Cc1ccc(CNCC[C@H]2CCCOC2)c(F)c1 ZINC000527740744 268233235 /nfs/dbraw/zinc/23/32/35/268233235.db2.gz UVCZYKPDFAJQPO-GFCCVEGCSA-N 0 3 262.328 2.604 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](CC)OC ZINC000419203009 269560079 /nfs/dbraw/zinc/56/00/79/269560079.db2.gz ZMTTZUJWEFCDTP-INIZCTEOSA-N 0 3 258.365 2.971 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H](c2ccncc2)C1 ZINC000517008399 270394652 /nfs/dbraw/zinc/39/46/52/270394652.db2.gz FOSGREFNSASDNC-KRWDZBQOSA-N 0 3 263.344 2.943 20 30 CFEDHN C#C[C@H](NCc1ccc(N2CCCC2)nc1)C(C)(C)C ZINC000290009596 275386804 /nfs/dbraw/zinc/38/68/04/275386804.db2.gz DMNSHQNUAGFTEX-HNNXBMFYSA-N 0 3 271.408 2.819 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000192121881 275388788 /nfs/dbraw/zinc/38/87/88/275388788.db2.gz ZNPSRPVYZZVWBC-QUCCMNQESA-N 0 3 294.442 2.987 20 30 CFEDHN C=CCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000263967908 275422529 /nfs/dbraw/zinc/42/25/29/275422529.db2.gz GYDOFRHHIIAHRV-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CCCCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179559912 275423167 /nfs/dbraw/zinc/42/31/67/275423167.db2.gz LKBJRUZUBUKJAK-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN CC#CCCN1CCC2(CC1)OCCc1ccccc12 ZINC000334789437 275441033 /nfs/dbraw/zinc/44/10/33/275441033.db2.gz SMZSBKUBSRJRKT-UHFFFAOYSA-N 0 3 269.388 2.964 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000162603476 275989337 /nfs/dbraw/zinc/98/93/37/275989337.db2.gz JJMMRSTWZISSRZ-ULQDDVLXSA-N 0 3 299.418 2.889 20 30 CFEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000346207890 276241269 /nfs/dbraw/zinc/24/12/69/276241269.db2.gz MXYWJAPYDNXJPE-LSDHHAIUSA-N 0 3 274.383 2.592 20 30 CFEDHN CCOC(=O)C1(C)CCC(N[C@H](CC)CC#N)CC1 ZINC000354621655 276425507 /nfs/dbraw/zinc/42/55/07/276425507.db2.gz ANNMZSOZCDRRKP-DNOWBOINSA-N 0 3 266.385 2.780 20 30 CFEDHN CC[C@@H]1C[C@H](CN2CCC(F)(C#N)CC2)CCO1 ZINC000348713453 276518385 /nfs/dbraw/zinc/51/83/85/276518385.db2.gz KUHJHLIUHHCEJG-CHWSQXEVSA-N 0 3 254.349 2.519 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419247807 276547235 /nfs/dbraw/zinc/54/72/35/276547235.db2.gz XFKTXFVZRQJFFA-PVAVHDDUSA-N 0 3 299.418 2.891 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000246436151 276681448 /nfs/dbraw/zinc/68/14/48/276681448.db2.gz UCHKJPVJWCVVQB-QINHECLXSA-N 0 3 290.432 2.728 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000352436596 276925176 /nfs/dbraw/zinc/92/51/76/276925176.db2.gz ADXBOYQCWMOZFV-GOEBONIOSA-N 0 3 264.413 2.676 20 30 CFEDHN COC(=O)[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000191789065 277130570 /nfs/dbraw/zinc/13/05/70/277130570.db2.gz UVKWWHMCBLAOLH-XEZPLFJOSA-N 0 3 286.375 2.750 20 30 CFEDHN COC[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)OC ZINC000360875089 277591374 /nfs/dbraw/zinc/59/13/74/277591374.db2.gz WGOTYRDFXKFHSX-RDJZCZTQSA-N 0 3 288.391 2.577 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCC12CCN(C)CC2 ZINC000335686680 277780846 /nfs/dbraw/zinc/78/08/46/277780846.db2.gz HWVLAQPVMSBCPT-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCC12CCN(C)CC2 ZINC000335686679 277781987 /nfs/dbraw/zinc/78/19/87/277781987.db2.gz HWVLAQPVMSBCPT-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000288192667 277885619 /nfs/dbraw/zinc/88/56/19/277885619.db2.gz QGXCFUWDXDWMMM-OFQRWUPVSA-N 0 3 289.423 2.942 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000352445022 277915545 /nfs/dbraw/zinc/91/55/45/277915545.db2.gz JGEQHWNHZANVOJ-IIAWOOMASA-N 0 3 266.429 2.968 20 30 CFEDHN C[C@@H]1C[C@H](NC2CCC(C)(C#N)CC2)c2nccn21 ZINC000333552380 278024773 /nfs/dbraw/zinc/02/47/73/278024773.db2.gz MUCXWDBIDHWEHI-UQJCBBSYSA-N 0 3 258.369 2.951 20 30 CFEDHN C[C@@H]1C[C@H]1N1CCN(c2ccc(F)cc2C#N)C[C@@H](C)C1 ZINC000488770070 278035526 /nfs/dbraw/zinc/03/55/26/278035526.db2.gz ZSUONDGZZQSXQH-PBFPGSCMSA-N 0 3 287.382 2.864 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000334664590 278132714 /nfs/dbraw/zinc/13/27/14/278132714.db2.gz UWBVHDCIMFHBBQ-AMIZOPFISA-N 0 3 264.275 2.618 20 30 CFEDHN C[C@H](CCC#N)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000351273682 278167684 /nfs/dbraw/zinc/16/76/84/278167684.db2.gz WPZQMYZGURTLFW-ZBFHGGJFSA-N 0 3 280.412 2.729 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ccn1 ZINC000286499013 278242255 /nfs/dbraw/zinc/24/22/55/278242255.db2.gz MTWGJVDPWCBZOH-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@H]1CCSCCN1Cc1ccc(C#N)s1 ZINC000191820546 278376380 /nfs/dbraw/zinc/37/63/80/278376380.db2.gz NVEATZWOXZAFPF-JTQLQIEISA-N 0 3 252.408 2.947 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC000286417282 278970757 /nfs/dbraw/zinc/97/07/57/278970757.db2.gz QTCKJXKDCYDKOD-YPMHNXCESA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@H](CO)N(CC#Cc1ccccc1)C1CCCC1 ZINC000287786611 279356984 /nfs/dbraw/zinc/35/69/84/279356984.db2.gz NSRGSKKONIRJBF-OAHLLOKOSA-N 0 3 257.377 2.664 20 30 CFEDHN CC[C@H](N[C@@H](C)[C@@H](CO)SC)c1ccc(C#N)cc1 ZINC000278799749 280950865 /nfs/dbraw/zinc/95/08/65/280950865.db2.gz RBUHYACZPKXRSC-TUKIKUTGSA-N 0 3 278.421 2.711 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000543452241 281646835 /nfs/dbraw/zinc/64/68/35/281646835.db2.gz PMFQMZAZAXPEBK-CYBMUJFWSA-N 0 3 298.333 2.920 20 30 CFEDHN C[C@@H](N[C@H]1CCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000554407039 281892368 /nfs/dbraw/zinc/89/23/68/281892368.db2.gz IWJMWEQSPIDHSF-RISCZKNCSA-N 0 3 271.364 2.663 20 30 CFEDHN N#Cc1ccc(NC(=O)CN(CC2CC2)C2CCC2)cc1 ZINC000562318069 282074757 /nfs/dbraw/zinc/07/47/57/282074757.db2.gz OVLUYZFNYBABRF-UHFFFAOYSA-N 0 3 283.375 2.761 20 30 CFEDHN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000152917576 289857477 /nfs/dbraw/zinc/85/74/77/289857477.db2.gz DOSWLADACGYQEO-MRXNPFEDSA-N 0 3 299.418 2.891 20 30 CFEDHN CC[C@H](C)CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563215015 290118856 /nfs/dbraw/zinc/11/88/56/290118856.db2.gz BFIATDRZXWPMCT-NSHDSACASA-N 0 3 261.325 2.944 20 30 CFEDHN Cc1nsc(N2CCN(C3CCC3)C[C@H](C)C2)c1C#N ZINC000292216811 294003467 /nfs/dbraw/zinc/00/34/67/294003467.db2.gz HTAGSXIUURATGM-NSHDSACASA-N 0 3 290.436 2.634 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1F ZINC001085461724 782062158 /nfs/dbraw/zinc/06/21/58/782062158.db2.gz MPDIZUNVSKCWSS-CQSZACIVSA-N 0 3 290.382 2.938 20 30 CFEDHN N#C[C@H]1CC[C@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000333103264 303168678 /nfs/dbraw/zinc/16/86/78/303168678.db2.gz QGPCLJVZUUYSKP-QCEMKRCNSA-N 0 3 271.364 2.584 20 30 CFEDHN N#CCCCNCc1ccc(F)c(Br)c1 ZINC000273071074 327831344 /nfs/dbraw/zinc/83/13/44/327831344.db2.gz OHYLXWKIHFYJQT-UHFFFAOYSA-N 0 3 271.133 2.982 20 30 CFEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2cccc(F)c2)C1 ZINC000185803088 327845399 /nfs/dbraw/zinc/84/53/99/327845399.db2.gz SSNYNFJELQFZJO-CQDKDKBSSA-N 0 3 262.328 2.531 20 30 CFEDHN CN(C)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185764270 327844891 /nfs/dbraw/zinc/84/48/91/327844891.db2.gz PSOTXNVUQJPDNB-GJZGRUSLSA-N 0 3 257.381 2.925 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000119358664 327899175 /nfs/dbraw/zinc/89/91/75/327899175.db2.gz JRASVVYMGBHMGA-UONOGXRCSA-N 0 3 280.371 2.628 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616379 328019435 /nfs/dbraw/zinc/01/94/35/328019435.db2.gz QVMWUPPEKFVXBV-CABCVRRESA-N 0 3 297.439 2.757 20 30 CFEDHN CN1CCN(CC#Cc2ccccc2)CC12CCCCC2 ZINC000563365586 328059331 /nfs/dbraw/zinc/05/93/31/328059331.db2.gz UBGKNAANRCKATH-UHFFFAOYSA-N 0 3 282.431 2.988 20 30 CFEDHN C[C@H](NCCCC#N)c1cncc(Br)c1 ZINC000563445050 328067297 /nfs/dbraw/zinc/06/72/97/328067297.db2.gz WBNDBHAOWBSYQI-VIFPVBQESA-N 0 3 268.158 2.798 20 30 CFEDHN CN(CCOCCC#N)Cc1cccc(Br)c1 ZINC000293367894 328094828 /nfs/dbraw/zinc/09/48/28/328094828.db2.gz FOMWOUNWRDRXRV-UHFFFAOYSA-N 0 3 297.196 2.811 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(C(C)(C)C#N)n2)cc1 ZINC000267147487 328173307 /nfs/dbraw/zinc/17/33/07/328173307.db2.gz ZDWSVGRGMQRZPV-UHFFFAOYSA-N 0 3 270.336 2.599 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000272653971 328200262 /nfs/dbraw/zinc/20/02/62/328200262.db2.gz ZWDBFYTWKWECNB-UHFFFAOYSA-N 0 3 289.354 2.780 20 30 CFEDHN Cc1noc(C2CCN(CCCC(C)(C)C#N)CC2)n1 ZINC000174831305 329163521 /nfs/dbraw/zinc/16/35/21/329163521.db2.gz UYFCUQCIESZEGO-UHFFFAOYSA-N 0 3 276.384 2.887 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(N2CCOCC2)c(F)c1 ZINC000273182262 328204238 /nfs/dbraw/zinc/20/42/38/328204238.db2.gz FJBWKFLLGXQMMA-ZDUSSCGKSA-N 0 3 291.370 2.617 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC)c1 ZINC000274168885 328208711 /nfs/dbraw/zinc/20/87/11/328208711.db2.gz AXAFQUBHPFHBFF-TZMCWYRMSA-N 0 3 274.364 2.876 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCOc1ccccc1F ZINC000276361074 328218087 /nfs/dbraw/zinc/21/80/87/328218087.db2.gz YOYHWTCXODDOLN-LBPRGKRZSA-N 0 3 250.317 2.829 20 30 CFEDHN CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CCCN(C)C1 ZINC000280204881 328234887 /nfs/dbraw/zinc/23/48/87/328234887.db2.gz QTZVNYCAEGMENR-INIZCTEOSA-N 0 3 299.418 2.654 20 30 CFEDHN CC(C)CCOCCNC(=N)Nc1cc(F)ccc1F ZINC000288650191 328253182 /nfs/dbraw/zinc/25/31/82/328253182.db2.gz DXUCSPDFDRVWLB-UHFFFAOYSA-N 0 3 285.338 2.754 20 30 CFEDHN N#CCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000291023007 328261994 /nfs/dbraw/zinc/26/19/94/328261994.db2.gz WHGIKXWJOVEESQ-CYBMUJFWSA-N 0 3 291.420 2.695 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(N2CCCOC2=O)cc1 ZINC000292747288 328273177 /nfs/dbraw/zinc/27/31/77/328273177.db2.gz NRFIYHVOKNELDJ-ZDUSSCGKSA-N 0 3 287.363 2.988 20 30 CFEDHN CN(C[C@@H]1OCCc2ccccc21)[C@@H]1CC[C@H](C#N)C1 ZINC000293269425 328275020 /nfs/dbraw/zinc/27/50/20/328275020.db2.gz XXMYEOWJTOXJKT-LXZKKBNFSA-N 0 3 270.376 2.924 20 30 CFEDHN Cc1cccnc1OC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293979492 328278849 /nfs/dbraw/zinc/27/88/49/328278849.db2.gz DPMDXMAOSQAKGS-HUUCEWRRSA-N 0 3 285.391 2.926 20 30 CFEDHN Cc1cccnc1OC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293979489 328278875 /nfs/dbraw/zinc/27/88/75/328278875.db2.gz DPMDXMAOSQAKGS-GJZGRUSLSA-N 0 3 285.391 2.926 20 30 CFEDHN CCOc1cccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1[O-] ZINC000295062874 328284786 /nfs/dbraw/zinc/28/47/86/328284786.db2.gz ONYBWUQOVVWAOD-JSGCOSHPSA-N 0 3 274.364 2.963 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1ccncc1F ZINC000340533720 328289867 /nfs/dbraw/zinc/28/98/67/328289867.db2.gz OROHEAYNNIZCGF-XUJVJEKNSA-N 0 3 264.344 2.853 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001085541329 782092809 /nfs/dbraw/zinc/09/28/09/782092809.db2.gz WQVUKACTVJBHFJ-YMAMQOFZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1sccc1OC ZINC000453375346 328298775 /nfs/dbraw/zinc/29/87/75/328298775.db2.gz WRARYLOSJZMSBF-QWRGUYRKSA-N 0 3 255.383 2.734 20 30 CFEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000119748904 328306938 /nfs/dbraw/zinc/30/69/38/328306938.db2.gz VDECLFPEPKUOAC-UHFFFAOYSA-N 0 3 286.419 2.770 20 30 CFEDHN C=C(C)CN(CC)Cc1cc2ccccc2[nH]c1=O ZINC000111682899 328374678 /nfs/dbraw/zinc/37/46/78/328374678.db2.gz DSJPZWKDEQCXLA-UHFFFAOYSA-N 0 3 256.349 2.926 20 30 CFEDHN C[C@@H]1CCC[C@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000580075485 325004612 /nfs/dbraw/zinc/00/46/12/325004612.db2.gz BMUYDHWZQDDBPG-QWHCGFSZSA-N 0 3 283.379 2.611 20 30 CFEDHN COC(=O)c1cccc(CN[C@H](C)C(C)(C)C)c1C#N ZINC000580572570 325048398 /nfs/dbraw/zinc/04/83/98/325048398.db2.gz VTYWMXMATVJDOH-LLVKDONJSA-N 0 3 274.364 2.869 20 30 CFEDHN C[C@H](Nc1ncc2c(c1C#N)CCC2)C1=CCN(C)CC1 ZINC000580829434 325067207 /nfs/dbraw/zinc/06/72/07/325067207.db2.gz CHOYJZAMUDSYTH-LBPRGKRZSA-N 0 3 282.391 2.504 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccc3c(n2)CCC3)cc1 ZINC000582048374 325171990 /nfs/dbraw/zinc/17/19/90/325171990.db2.gz PYGZXOZNWUTHNK-UHFFFAOYSA-N 0 3 293.370 2.611 20 30 CFEDHN CC(C)(C)OCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000582211034 325186146 /nfs/dbraw/zinc/18/61/46/325186146.db2.gz STJRFYHKSMASTF-OAHLLOKOSA-N 0 3 258.365 2.950 20 30 CFEDHN CCN1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC1=O ZINC000584154876 325333900 /nfs/dbraw/zinc/33/39/00/325333900.db2.gz NQBCUJPXSKCFBP-WBVHZDCISA-N 0 3 297.402 2.536 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2ccccc2)CC1 ZINC000255640043 327002023 /nfs/dbraw/zinc/00/20/23/327002023.db2.gz JIQSAUIIMMTTDA-HJWRWDBZSA-N 0 3 284.403 2.857 20 30 CFEDHN C=C(C)COCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000255895523 327026184 /nfs/dbraw/zinc/02/61/84/327026184.db2.gz CQVZOKRXFOGJNN-ALCCZGGFSA-N 0 3 276.336 2.790 20 30 CFEDHN N#CCSCCCN1CCc2sccc2C1 ZINC000074981107 327122744 /nfs/dbraw/zinc/12/27/44/327122744.db2.gz YVGQGYPCARYQRR-UHFFFAOYSA-N 0 3 252.408 2.753 20 30 CFEDHN C=C(C)COCCNCc1ccnn1C1CCCC1 ZINC000449193638 327123902 /nfs/dbraw/zinc/12/39/02/327123902.db2.gz WHUAJLJCJMHTTB-UHFFFAOYSA-N 0 3 263.385 2.681 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000566174241 327155544 /nfs/dbraw/zinc/15/55/44/327155544.db2.gz QXKUKHVJASJPIP-CHWSQXEVSA-N 0 3 253.386 2.862 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1OC ZINC000569457095 327179656 /nfs/dbraw/zinc/17/96/56/327179656.db2.gz MSPBCWIYUMAZIV-OCCSQVGLSA-N 0 3 277.364 2.527 20 30 CFEDHN CC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408169312 327181110 /nfs/dbraw/zinc/18/11/10/327181110.db2.gz MYOXVOJCFPZHAI-CABCVRRESA-N 0 3 291.439 2.840 20 30 CFEDHN CC(=O)N1CC[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc21 ZINC000559784274 327261662 /nfs/dbraw/zinc/26/16/62/327261662.db2.gz XRGNGMCGUIOZDV-YCPHGPKFSA-N 0 3 283.375 2.766 20 30 CFEDHN C=CCOc1ccccc1CNCCN1CC=CCC1 ZINC000355489176 327379801 /nfs/dbraw/zinc/37/98/01/327379801.db2.gz XBJMAMUKMTXKGX-UHFFFAOYSA-N 0 3 272.392 2.603 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cc(C)cc(C)c1 ZINC000562552214 327491377 /nfs/dbraw/zinc/49/13/77/327491377.db2.gz JFUYZLWXYCCQOF-CVEARBPZSA-N 0 3 288.391 2.565 20 30 CFEDHN COc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1 ZINC000569768909 327546079 /nfs/dbraw/zinc/54/60/79/327546079.db2.gz DNDPGJMYKPHYGC-ZDUSSCGKSA-N 0 3 258.365 2.910 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000042269606 328764109 /nfs/dbraw/zinc/76/41/09/328764109.db2.gz SQCXKNDKGBCOJU-MNOVXSKESA-N 0 3 266.410 2.706 20 30 CFEDHN CCN1CCc2c(cccc2NC(=O)CC(C)(C)C#N)C1 ZINC000377464773 329015796 /nfs/dbraw/zinc/01/57/96/329015796.db2.gz NCFAHVIIITYPLZ-UHFFFAOYSA-N 0 3 285.391 2.943 20 30 CFEDHN C#Cc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000377647360 329022604 /nfs/dbraw/zinc/02/26/04/329022604.db2.gz KHITVZBHVVUHRP-IBGZPJMESA-N 0 3 277.367 2.592 20 30 CFEDHN CC#CCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377730483 329027444 /nfs/dbraw/zinc/02/74/44/329027444.db2.gz YKGVKQRZUBDMMZ-LSDHHAIUSA-N 0 3 292.423 2.589 20 30 CFEDHN C=CCCN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000378194185 329042905 /nfs/dbraw/zinc/04/29/05/329042905.db2.gz XBXMEDPJKNTLRG-UHFFFAOYSA-N 0 3 291.391 2.689 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCCOC(C)(C)C2)cc1 ZINC000378346953 329046940 /nfs/dbraw/zinc/04/69/40/329046940.db2.gz TUISEYDAUSWNCJ-CQSZACIVSA-N 0 3 288.391 2.978 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000171696203 329078450 /nfs/dbraw/zinc/07/84/50/329078450.db2.gz HTDUASFGIPNDRN-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C2CCCC2)CC1 ZINC000172187645 329081941 /nfs/dbraw/zinc/08/19/41/329081941.db2.gz XLTRSTWRMYBWAP-CQSZACIVSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)cs2)CC1 ZINC000176780296 329178851 /nfs/dbraw/zinc/17/88/51/329178851.db2.gz NIKICGIUVRXBQX-UHFFFAOYSA-N 0 3 294.420 2.527 20 30 CFEDHN COC[C@@H](C)N(C)Cc1cccc(OCCCC#N)c1 ZINC000179368437 329205006 /nfs/dbraw/zinc/20/50/06/329205006.db2.gz JISJSQYYGQPAET-CQSZACIVSA-N 0 3 276.380 2.836 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H]2CC(=O)OC)c1 ZINC000179890113 329213326 /nfs/dbraw/zinc/21/33/26/329213326.db2.gz XJSPQKSKRQLJIB-OAHLLOKOSA-N 0 3 289.375 2.779 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000181118413 329226462 /nfs/dbraw/zinc/22/64/62/329226462.db2.gz QHYKESIUKMGMOD-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000181633390 329235154 /nfs/dbraw/zinc/23/51/54/329235154.db2.gz DCHBQQWUXCVCNY-JKSUJKDBSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC000184281650 329258708 /nfs/dbraw/zinc/25/87/08/329258708.db2.gz BWMIEHDRNGIJAP-MRXNPFEDSA-N 0 3 286.350 2.914 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000321144170 329266546 /nfs/dbraw/zinc/26/65/46/329266546.db2.gz ULMCDAUWYOUDSF-ZFWWWQNUSA-N 0 3 278.352 2.963 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000185896652 329334624 /nfs/dbraw/zinc/33/46/24/329334624.db2.gz JPRLGLQRYRMQMM-ZNMIVQPWSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCCN1CC ZINC000188381847 329366498 /nfs/dbraw/zinc/36/64/98/329366498.db2.gz CSETZVBQXPIDAL-UKRRQHHQSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1CC ZINC000188381804 329366573 /nfs/dbraw/zinc/36/65/73/329366573.db2.gz CSETZVBQXPIDAL-DZGCQCFKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC1CCN(Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000191354440 329413303 /nfs/dbraw/zinc/41/33/03/329413303.db2.gz BZDJETDUSOQNSE-UHFFFAOYSA-N 0 3 289.423 2.562 20 30 CFEDHN N#CCCC1CCN(Cc2ccc(CO)cc2)CC1 ZINC000399422566 329453200 /nfs/dbraw/zinc/45/32/00/329453200.db2.gz VMHHOJWKRXNYIS-UHFFFAOYSA-N 0 3 258.365 2.695 20 30 CFEDHN Cc1cc(C)n(CC2CCN(CCCC#N)CC2)n1 ZINC000105887502 329535515 /nfs/dbraw/zinc/53/55/15/329535515.db2.gz KOJHXLPHOXMANZ-UHFFFAOYSA-N 0 3 260.385 2.516 20 30 CFEDHN CC#CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000135438330 329666888 /nfs/dbraw/zinc/66/68/88/329666888.db2.gz IEPIEDQHXBEISL-OAHLLOKOSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000247581145 329882924 /nfs/dbraw/zinc/88/29/24/329882924.db2.gz ILKZNDALEAHGFX-IJEWVQPXSA-N 0 3 293.455 2.761 20 30 CFEDHN C#CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000271081712 330077595 /nfs/dbraw/zinc/07/75/95/330077595.db2.gz YMZHLVJIBBPYRU-MRXNPFEDSA-N 0 3 273.376 2.787 20 30 CFEDHN C#CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000271081712 330077596 /nfs/dbraw/zinc/07/75/96/330077596.db2.gz YMZHLVJIBBPYRU-MRXNPFEDSA-N 0 3 273.376 2.787 20 30 CFEDHN C=CCCCCCN(C)Cc1cnn(CCOC)c1 ZINC000271165495 330077986 /nfs/dbraw/zinc/07/79/86/330077986.db2.gz FTMHWDCCBZHVDS-UHFFFAOYSA-N 0 3 265.401 2.708 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](c1ccccc1)C(C)C ZINC000272903688 330087501 /nfs/dbraw/zinc/08/75/01/330087501.db2.gz VPSMWPGPGRCPBP-HNNXBMFYSA-N 0 3 281.421 2.574 20 30 CFEDHN C#CCCN1CCN(CCCc2ccccc2Cl)CC1 ZINC000273212899 330090334 /nfs/dbraw/zinc/09/03/34/330090334.db2.gz UGTRTGPIMRKAKL-UHFFFAOYSA-N 0 3 290.838 2.914 20 30 CFEDHN CC[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000421918392 330109338 /nfs/dbraw/zinc/10/93/38/330109338.db2.gz PLJKLBPQERJYOH-UKRRQHHQSA-N 0 3 258.365 2.921 20 30 CFEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424060690 330218721 /nfs/dbraw/zinc/21/87/21/330218721.db2.gz DBCQUCYEGWNPMW-LSDHHAIUSA-N 0 3 273.380 2.665 20 30 CFEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)c(Cl)c1 ZINC000424073063 330220170 /nfs/dbraw/zinc/22/01/70/330220170.db2.gz DZHZPEHDQKYVDV-LLVKDONJSA-N 0 3 265.744 2.608 20 30 CFEDHN CCCCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424074548 330220496 /nfs/dbraw/zinc/22/04/96/330220496.db2.gz HNHYKLJXKVLUCA-HNNXBMFYSA-N 0 3 273.380 2.989 20 30 CFEDHN CC(C)c1ccc(CN(C)C(=O)[C@@H](N)CCCC#N)cc1 ZINC000424078054 330221381 /nfs/dbraw/zinc/22/13/81/330221381.db2.gz PFBHMDAFGGFODQ-INIZCTEOSA-N 0 3 287.407 2.790 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000424085539 330223228 /nfs/dbraw/zinc/22/32/28/330223228.db2.gz FXMKUJMIRFELLS-LBPRGKRZSA-N 0 3 298.346 2.665 20 30 CFEDHN Cc1ncc(-c2ccc(NC(=O)[C@H](N)CCCC#N)cc2)o1 ZINC000424088129 330224154 /nfs/dbraw/zinc/22/41/54/330224154.db2.gz SOBDMBDZNUUXBE-CQSZACIVSA-N 0 3 298.346 2.610 20 30 CFEDHN CC(C)(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424090785 330225273 /nfs/dbraw/zinc/22/52/73/330225273.db2.gz MYHARISQQLSPKS-HUUCEWRRSA-N 0 3 287.407 2.911 20 30 CFEDHN CCCCOc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424090910 330225384 /nfs/dbraw/zinc/22/53/84/330225384.db2.gz YLYVHJKLKURQGE-ZDUSSCGKSA-N 0 3 289.379 2.825 20 30 CFEDHN CC(C)OCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424097899 330228102 /nfs/dbraw/zinc/22/81/02/330228102.db2.gz GELIRAFCOIAKEV-HNNXBMFYSA-N 0 3 289.379 2.571 20 30 CFEDHN CC1CCC(N(C(=O)[C@H](N)CCCC#N)C2CC2)CC1 ZINC000424100197 330233222 /nfs/dbraw/zinc/23/32/22/330233222.db2.gz WIZQHAFXMZXVFM-SSDMNJCBSA-N 0 3 277.412 2.577 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000424104321 330233910 /nfs/dbraw/zinc/23/39/10/330233910.db2.gz SQOUBFIGJKHOQA-DLBZAZTESA-N 0 3 297.402 2.686 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC2(CCCCC2)CC1 ZINC000424109927 330237634 /nfs/dbraw/zinc/23/76/34/330237634.db2.gz BLAFNNNMQRHZQW-CQSZACIVSA-N 0 3 277.412 2.580 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000424112311 330240339 /nfs/dbraw/zinc/24/03/39/330240339.db2.gz JICDZVIQWUKBRC-HOTGVXAUSA-N 0 3 291.439 2.969 20 30 CFEDHN Cc1ccc(C[C@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424114885 330243083 /nfs/dbraw/zinc/24/30/83/330243083.db2.gz SQEYGBYSKZYPHN-IAGOWNOFSA-N 0 3 299.418 2.550 20 30 CFEDHN Cc1ccc(CN(C(=O)[C@@H](N)CCCC#N)C2CC2)cc1C ZINC000424116014 330243517 /nfs/dbraw/zinc/24/35/17/330243517.db2.gz BDDYTVJUMITGOF-KRWDZBQOSA-N 0 3 299.418 2.816 20 30 CFEDHN CCC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424115759 330243536 /nfs/dbraw/zinc/24/35/36/330243536.db2.gz VUCUHNQPOMLBPG-LSDHHAIUSA-N 0 3 279.428 2.873 20 30 CFEDHN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424117423 330243838 /nfs/dbraw/zinc/24/38/38/330243838.db2.gz YRIGEZWTIUPNSO-RRFJBIMHSA-N 0 3 279.428 2.729 20 30 CFEDHN CCSc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424120175 330248203 /nfs/dbraw/zinc/24/82/03/330248203.db2.gz GUUTYLKHHOJBJC-ZDUSSCGKSA-N 0 3 277.393 2.758 20 30 CFEDHN C#CCN(C)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000327986873 330263547 /nfs/dbraw/zinc/26/35/47/330263547.db2.gz KJJHWUUMJWIXKI-UHFFFAOYSA-N 0 3 298.346 2.510 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCc1ccccc1CN(C)C ZINC000527708180 330275494 /nfs/dbraw/zinc/27/54/94/330275494.db2.gz PVJPGVVFBGBMCS-UHFFFAOYSA-N 0 3 287.407 2.694 20 30 CFEDHN CCC1(CC)CCC(NC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424171529 330311683 /nfs/dbraw/zinc/31/16/83/330311683.db2.gz LZWYTSNGBKOYNX-AWEZNQCLSA-N 0 3 279.428 2.873 20 30 CFEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424178220 330318189 /nfs/dbraw/zinc/31/81/89/330318189.db2.gz WEKHOXGBIPSBKN-OIISXLGYSA-N 0 3 299.418 2.802 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424280921 330333926 /nfs/dbraw/zinc/33/39/26/330333926.db2.gz MOMYTDKNNCTNCF-WDEREUQCSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)nn1 ZINC000424289732 330334379 /nfs/dbraw/zinc/33/43/79/330334379.db2.gz ACNHPOIZPCJFPJ-IAOVAPTHSA-N 0 3 282.391 2.746 20 30 CFEDHN C=CCn1cc(CN[C@H](Cc2ccccc2)C(C)C)nn1 ZINC000424299990 330337041 /nfs/dbraw/zinc/33/70/41/330337041.db2.gz WLIZKZBEAQNQGA-QGZVFWFLSA-N 0 3 284.407 2.821 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 ZINC000424315565 330339301 /nfs/dbraw/zinc/33/93/01/330339301.db2.gz AEMMYAQNZJVACB-ARFHVFGLSA-N 0 3 258.365 2.526 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000119782866 330379838 /nfs/dbraw/zinc/37/98/38/330379838.db2.gz WXCJIEWTHQSADT-KBPBESRZSA-N 0 3 296.455 2.735 20 30 CFEDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)N(CC)CCC#N ZINC000120678831 330390304 /nfs/dbraw/zinc/39/03/04/330390304.db2.gz ZWBOYNAKIWFVJR-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN CC#CCCNCc1cnc(-c2ccccc2OC)nc1 ZINC000430062008 330558386 /nfs/dbraw/zinc/55/83/86/330558386.db2.gz ZECUMBDBGXZFQG-UHFFFAOYSA-N 0 3 281.359 2.655 20 30 CFEDHN COc1cc2c(cc1OC)[C@@H](NCC1(CC#N)CC1)CC2 ZINC000430760905 330573613 /nfs/dbraw/zinc/57/36/13/330573613.db2.gz KJRUGTIGUAOLJH-AWEZNQCLSA-N 0 3 286.375 2.975 20 30 CFEDHN CC1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438856548 330730059 /nfs/dbraw/zinc/73/00/59/330730059.db2.gz LWJPMMIHMJOTGY-UHFFFAOYSA-N 0 3 280.375 2.915 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(F)cc2F)C1 ZINC000442780720 330782499 /nfs/dbraw/zinc/78/24/99/330782499.db2.gz LFPCSEBTTXIQCN-CMPLNLGQSA-N 0 3 266.291 2.625 20 30 CFEDHN N#C[C@@H]1CC[C@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000442850675 330786839 /nfs/dbraw/zinc/78/68/39/330786839.db2.gz DNEBGINADXFKKW-ZBFHGGJFSA-N 0 3 299.418 2.747 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000442852051 330787014 /nfs/dbraw/zinc/78/70/14/330787014.db2.gz XMMHRAIKAJOPDX-TZMCWYRMSA-N 0 3 271.364 2.795 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C#N)C[C@H]1C ZINC000448883453 330886817 /nfs/dbraw/zinc/88/68/17/330886817.db2.gz NXBUSOCDCAMPJN-KDOFPFPSSA-N 0 3 299.418 2.646 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000448919355 330888227 /nfs/dbraw/zinc/88/82/27/330888227.db2.gz ACPPUUDRGTVLHB-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)C2CCC2)CC1 ZINC000448922819 330888465 /nfs/dbraw/zinc/88/84/65/330888465.db2.gz SAHDCQSOSGJQFG-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@H](NC1CCC(C)(C#N)CC1)c1nnc2ccccn21 ZINC000449067085 330896796 /nfs/dbraw/zinc/89/67/96/330896796.db2.gz IBPTXWUOOBBJIY-FUJMWEONSA-N 0 3 283.379 2.852 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC(C)C)c1 ZINC000449518419 330933123 /nfs/dbraw/zinc/93/31/23/330933123.db2.gz JQDBHCCMZPZIKC-CVEARBPZSA-N 0 3 261.365 2.907 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2COCC2(C)C)c1 ZINC000449620995 330940583 /nfs/dbraw/zinc/94/05/83/330940583.db2.gz XSHCPZHHPCMZDX-HNNXBMFYSA-N 0 3 261.365 2.766 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(CC=C)c(O)c(OC)c1 ZINC000449700207 330944800 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/nfs/dbraw/zinc/07/73/90/331077390.db2.gz UPZCOSAAHNAJQT-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CC(C)(C)CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000453311211 331114663 /nfs/dbraw/zinc/11/46/63/331114663.db2.gz SASCCDNVOASLQU-CYBMUJFWSA-N 0 3 274.343 2.835 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000453342033 331119344 /nfs/dbraw/zinc/11/93/44/331119344.db2.gz FJHOJZJICUUKPR-MAUKXSAKSA-N 0 3 299.418 2.909 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000453343083 331119375 /nfs/dbraw/zinc/11/93/75/331119375.db2.gz DIHUNJYOJAPCNV-LBPRGKRZSA-N 0 3 297.420 2.716 20 30 CFEDHN C=CCC[C@@H]([NH2+]Cc1nnc(-c2ccccn2)[n-]1)C1CC1 ZINC000453354554 331121327 /nfs/dbraw/zinc/12/13/27/331121327.db2.gz MBFQZWLTGXRWQX-CYBMUJFWSA-N 0 3 283.379 2.701 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453354272 331121397 /nfs/dbraw/zinc/12/13/97/331121397.db2.gz KRCVNKQPGZFYTI-KFWWJZLASA-N 0 3 277.339 2.755 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2c(O)cccc21 ZINC000453379876 331125543 /nfs/dbraw/zinc/12/55/43/331125543.db2.gz ZPZRXWXZDJHRKP-FMKPAKJESA-N 0 3 259.349 2.703 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCC[C@H]2O)cc1Cl ZINC000453616604 331136588 /nfs/dbraw/zinc/13/65/88/331136588.db2.gz PRWGBLVLBGKEQB-ZIAGYGMSSA-N 0 3 281.783 2.908 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000454549819 331148609 /nfs/dbraw/zinc/14/86/09/331148609.db2.gz QNSOAIZZZFTMLL-DOTOQJQBSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)CC(C)(C)C)CC1 ZINC000454552393 331148757 /nfs/dbraw/zinc/14/87/57/331148757.db2.gz ULCAEGKWYHZDEO-CYBMUJFWSA-N 0 3 281.444 2.761 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1cccc(CC#N)c1 ZINC000455909847 331180597 /nfs/dbraw/zinc/18/05/97/331180597.db2.gz BZEDXWSAPLBNJV-UHFFFAOYSA-N 0 3 288.395 2.606 20 30 CFEDHN C=CCC1(NC(=O)C2CCN(C)CC2)CCCCC1 ZINC000456363084 331191055 /nfs/dbraw/zinc/19/10/55/331191055.db2.gz IFVVNGCXCBIIHD-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000456741689 331199678 /nfs/dbraw/zinc/19/96/78/331199678.db2.gz YNFSCHNGAQORAJ-HNNXBMFYSA-N 0 3 271.364 2.566 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457080845 331211764 /nfs/dbraw/zinc/21/17/64/331211764.db2.gz CJSJYICJPFQPJV-CYBMUJFWSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C(C)C)C2)CCC1 ZINC000457090885 331212050 /nfs/dbraw/zinc/21/20/50/331212050.db2.gz MGVNVDGQTUQCKC-AWEZNQCLSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(CC)CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000457522663 331225737 /nfs/dbraw/zinc/22/57/37/331225737.db2.gz GXBZSIQXXZTAKJ-HNNXBMFYSA-N 0 3 275.396 2.555 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@H](C)[C@H]1C)C(C)C ZINC000457737681 331232790 /nfs/dbraw/zinc/23/27/90/331232790.db2.gz FDVQOGZPEIJVHK-ARFHVFGLSA-N 0 3 293.455 2.735 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000457997106 331240160 /nfs/dbraw/zinc/24/01/60/331240160.db2.gz OPKKDWJLCDLWIZ-MRVWCRGKSA-N 0 3 256.349 2.702 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270.380 2.826 20 30 CFEDHN N#CCCCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646812 331291971 /nfs/dbraw/zinc/29/19/71/331291971.db2.gz SRZVURPDDVDMMX-GFCCVEGCSA-N 0 3 290.329 2.971 20 30 CFEDHN COc1cc(F)cc(CNCC(C)(C)CC#N)c1 ZINC000459684287 331294258 /nfs/dbraw/zinc/29/42/58/331294258.db2.gz BYWUARXYXYGEGI-UHFFFAOYSA-N 0 3 250.317 2.864 20 30 CFEDHN Cc1ccnc(N2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000166122786 331306608 /nfs/dbraw/zinc/30/66/08/331306608.db2.gz JOPAWBWWFGUKMG-UHFFFAOYSA-N 0 3 286.423 2.842 20 30 CFEDHN CCN(CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C ZINC000463358258 331346549 /nfs/dbraw/zinc/34/65/49/331346549.db2.gz LTEPGHDHXZHBSP-UHFFFAOYSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CCNC(=O)CNC[C@H](CC(C)C)c1ccccc1 ZINC000474880489 331602541 /nfs/dbraw/zinc/60/25/41/331602541.db2.gz TVFOIAWQNFYFOS-INIZCTEOSA-N 0 3 274.408 2.708 20 30 CFEDHN C#CCN(CCCc1nc(C)no1)[C@@H]1CCc2ccccc21 ZINC000490867110 332122564 /nfs/dbraw/zinc/12/25/64/332122564.db2.gz ZXRYCICEWIYCRK-QGZVFWFLSA-N 0 3 295.386 2.933 20 30 CFEDHN C#CCN(CC)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490994384 332136927 /nfs/dbraw/zinc/13/69/27/332136927.db2.gz CIGXBUPBFPMXDR-INIZCTEOSA-N 0 3 280.412 2.589 20 30 CFEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000491155079 332158051 /nfs/dbraw/zinc/15/80/51/332158051.db2.gz OMRWHQZGEBWHQJ-OAHLLOKOSA-N 0 3 290.794 2.616 20 30 CFEDHN C#C[C@@H](CC)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000491288958 332182361 /nfs/dbraw/zinc/18/23/61/332182361.db2.gz WBVZVIQIFIHZFZ-INIZCTEOSA-N 0 3 284.403 2.813 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000491289089 332182553 /nfs/dbraw/zinc/18/25/53/332182553.db2.gz WOEMWOMSKYKSAL-XEZPLFJOSA-N 0 3 295.810 2.732 20 30 CFEDHN C#C[C@@H](NC[C@H](C)COC)c1ccc(Cl)cc1 ZINC000491307057 332186791 /nfs/dbraw/zinc/18/67/91/332186791.db2.gz OQKYKRYZHLABPX-SMDDNHRTSA-N 0 3 251.757 2.886 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccccc1SC ZINC000491371361 332198922 /nfs/dbraw/zinc/19/89/22/332198922.db2.gz DUDYVFANOAGWOD-GFCCVEGCSA-N 0 3 276.405 2.691 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280.318 2.637 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000491716590 332306403 /nfs/dbraw/zinc/30/64/03/332306403.db2.gz UBDRLMLEEROJTP-RDJZCZTQSA-N 0 3 273.376 2.746 20 30 CFEDHN C#C[C@@H](CC)NCc1cn(C)nc1-c1cccs1 ZINC000491738183 332317715 /nfs/dbraw/zinc/31/77/15/332317715.db2.gz WLBHUMVDQKKVOW-LBPRGKRZSA-N 0 3 259.378 2.650 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000491757029 332329980 /nfs/dbraw/zinc/32/99/80/332329980.db2.gz BOGKZJHYCSOAEJ-STQMWFEESA-N 0 3 298.361 2.767 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000491757026 332330122 /nfs/dbraw/zinc/33/01/22/332330122.db2.gz BOGKZJHYCSOAEJ-CHWSQXEVSA-N 0 3 298.361 2.767 20 30 CFEDHN C#C[C@H](NC(=O)c1ccccc1CN(C)C)C(C)(C)C ZINC000491765449 332333784 /nfs/dbraw/zinc/33/37/84/332333784.db2.gz DFTFQFPKAJDLAH-HNNXBMFYSA-N 0 3 272.392 2.526 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C/C(=C\C)CC)CC1 ZINC000492133461 332384225 /nfs/dbraw/zinc/38/42/25/332384225.db2.gz IKEFLRYKWHIPSJ-OSHWBVHWSA-N 0 3 274.408 2.503 20 30 CFEDHN C=CCC[C@@H](NC(=O)/C=C\CN(C)C)c1ccccc1 ZINC000492217813 332387881 /nfs/dbraw/zinc/38/78/81/332387881.db2.gz NOXJFQHHXGLZLX-RCBBPTIPSA-N 0 3 272.392 2.928 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336656346 335109838 /nfs/dbraw/zinc/10/98/38/335109838.db2.gz MJIGXDIUQZSRBI-FUHWJXTLSA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCOCCCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000495523140 332521758 /nfs/dbraw/zinc/52/17/58/332521758.db2.gz GHJHUNLAAJHOKV-UHFFFAOYSA-N 0 3 298.427 2.568 20 30 CFEDHN C=C(Cl)CNC1CCN(C(=O)OCC(C)C)CC1 ZINC000495815699 332530979 /nfs/dbraw/zinc/53/09/79/332530979.db2.gz BXGPDSLPFJAEGQ-UHFFFAOYSA-N 0 3 274.792 2.586 20 30 CFEDHN CC#CCN1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000496835883 332561821 /nfs/dbraw/zinc/56/18/21/332561821.db2.gz GCCSVCAVBZZXGK-UHFFFAOYSA-N 0 3 280.412 2.637 20 30 CFEDHN C=C[C@@H](C)NCc1cccc(I)c1 ZINC000308176088 332612947 /nfs/dbraw/zinc/61/29/47/332612947.db2.gz FLBCDRDQIUPDLH-SECBINFHSA-N 0 3 287.144 2.955 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1C[C@@H]1C)C(C)C ZINC000503440539 332689686 /nfs/dbraw/zinc/68/96/86/332689686.db2.gz NIVCDPVJFISULH-ARFHVFGLSA-N 0 3 293.455 2.640 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C(C)C)C2CC2)CC1 ZINC000176154275 333039603 /nfs/dbraw/zinc/03/96/03/333039603.db2.gz RDBDPIDDQQZQIT-UHFFFAOYSA-N 0 3 279.428 2.609 20 30 CFEDHN CN(CC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000405139238 333041077 /nfs/dbraw/zinc/04/10/77/333041077.db2.gz SPIAIOPCWUFOJN-MRXNPFEDSA-N 0 3 271.408 2.742 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000176678057 333045637 /nfs/dbraw/zinc/04/56/37/333045637.db2.gz XOKDYZMESYQGJR-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN CC#CCCNCc1ccc(Br)cc1OC ZINC000309927343 333051554 /nfs/dbraw/zinc/05/15/54/333051554.db2.gz VZGBQXCAQIZVAS-UHFFFAOYSA-N 0 3 282.181 2.961 20 30 CFEDHN C=CCN1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC000178066216 333067441 /nfs/dbraw/zinc/06/74/41/333067441.db2.gz IBGLIXZODZDKDM-UHFFFAOYSA-N 0 3 298.427 2.568 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC[C@@H](O)C(F)(F)F ZINC000521030964 333110244 /nfs/dbraw/zinc/11/02/44/333110244.db2.gz KLNUPLQJGYLJLX-CHWSQXEVSA-N 0 3 273.298 2.687 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC[C@H](O)C(F)(F)F ZINC000521030965 333110264 /nfs/dbraw/zinc/11/02/64/333110264.db2.gz KLNUPLQJGYLJLX-OLZOCXBDSA-N 0 3 273.298 2.687 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000185940950 333152240 /nfs/dbraw/zinc/15/22/40/333152240.db2.gz XOZIIUFCEWYXBU-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189328774 333190244 /nfs/dbraw/zinc/19/02/44/333190244.db2.gz GNUHCGSRNSPPTB-HZPDHXFCSA-N 0 3 291.391 2.509 20 30 CFEDHN CCN(CCCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000189463603 333193165 /nfs/dbraw/zinc/19/31/65/333193165.db2.gz OCLWQOKPBRJHQZ-JTQLQIEISA-N 0 3 266.307 2.561 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN([C@@H](C)CCC#N)C1 ZINC000575848664 335123012 /nfs/dbraw/zinc/12/30/12/335123012.db2.gz BCSUXBRSKXYHQV-SMDDNHRTSA-N 0 3 277.368 2.575 20 30 CFEDHN Cc1noc(C)c1CO[C@H]1CCN([C@H](C)CCC#N)C1 ZINC000575848663 335123031 /nfs/dbraw/zinc/12/30/31/335123031.db2.gz BCSUXBRSKXYHQV-RISCZKNCSA-N 0 3 277.368 2.575 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000173198039 335129360 /nfs/dbraw/zinc/12/93/60/335129360.db2.gz QZDBMOYYNKIIQD-ZBFHGGJFSA-N 0 3 291.439 2.611 20 30 CFEDHN CCC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000193631705 333254643 /nfs/dbraw/zinc/25/46/43/333254643.db2.gz RDWLPCOKXQZPPJ-SJLPKXTDSA-N 0 3 299.418 2.926 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000522976417 333302737 /nfs/dbraw/zinc/30/27/37/333302737.db2.gz QPFDRJJPGMCIHC-JFUSQASVSA-N 0 3 293.164 2.581 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000523414511 333326014 /nfs/dbraw/zinc/32/60/14/333326014.db2.gz CSCGWFWWGVZESL-SNPRPXQTSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000575942650 335134313 /nfs/dbraw/zinc/13/43/13/335134313.db2.gz BSXMEXOBKLKDCT-UHFFFAOYSA-N 0 3 295.386 2.850 20 30 CFEDHN CC(C)CN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000232570856 333338899 /nfs/dbraw/zinc/33/88/99/333338899.db2.gz UXXXDZMEOQRNNB-UHFFFAOYSA-N 0 3 265.445 2.980 20 30 CFEDHN C=CCOc1ccccc1CNCCN1CC[C@@H](C)C1 ZINC000524771407 333387801 /nfs/dbraw/zinc/38/78/01/333387801.db2.gz DOBGZENMNRSUAJ-OAHLLOKOSA-N 0 3 274.408 2.683 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC#Cc1ccc(F)cc1 ZINC000528757066 333455784 /nfs/dbraw/zinc/45/57/84/333455784.db2.gz BDZTVOFPDGILRP-BCUIYNNISA-N 0 3 261.340 2.579 20 30 CFEDHN C=C(C)COCCNCc1ccc(OC)c(F)c1 ZINC000125786344 333573218 /nfs/dbraw/zinc/57/32/18/333573218.db2.gz BUVVVAUHNKXIOS-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C=CC[C@@H](CO)CNc1cc(CC)nc2ccccc21 ZINC000539239645 333662688 /nfs/dbraw/zinc/66/26/88/333662688.db2.gz YCNWEQGRIJIKLL-CYBMUJFWSA-N 0 3 270.376 2.816 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540159908 333715547 /nfs/dbraw/zinc/71/55/47/333715547.db2.gz ASCXQHRBMQFPMH-CYBMUJFWSA-N 0 3 288.391 2.815 20 30 CFEDHN Cc1nn(-c2ccncc2)cc1CN1CCC(CC#N)CC1 ZINC000543414925 333872754 /nfs/dbraw/zinc/87/27/54/333872754.db2.gz QRSJVMXFGLHJPF-UHFFFAOYSA-N 0 3 295.390 2.701 20 30 CFEDHN C[C@@H](NC1(C2CC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000544415307 333930633 /nfs/dbraw/zinc/93/06/33/333930633.db2.gz KNZHEBXEYLBTIF-CQSZACIVSA-N 0 3 297.402 2.854 20 30 CFEDHN C[C@H](C#N)CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000133815066 334059795 /nfs/dbraw/zinc/05/97/95/334059795.db2.gz IKEZRFCHZIMQNC-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000076738404 334088403 /nfs/dbraw/zinc/08/84/03/334088403.db2.gz GIZBJJJSBCWDJB-HZPDHXFCSA-N 0 3 296.455 2.596 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCCCCC1 ZINC000076826764 334089699 /nfs/dbraw/zinc/08/96/99/334089699.db2.gz XTDWCHGTPCSYOI-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C=C(C)COCCNCc1cc(OC)c(OC)cc1C ZINC000134504450 334092567 /nfs/dbraw/zinc/09/25/67/334092567.db2.gz JPLFGPCVIGRVGJ-UHFFFAOYSA-N 0 3 279.380 2.695 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC1CC1 ZINC000077194729 334098069 /nfs/dbraw/zinc/09/80/69/334098069.db2.gz WTGFUQXQAWARCV-CYBMUJFWSA-N 0 3 292.448 2.993 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCCC#N ZINC000134660769 334099534 /nfs/dbraw/zinc/09/95/34/334099534.db2.gz XDYSYWPOZBTJRO-OLZOCXBDSA-N 0 3 281.400 2.668 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000547651583 334106032 /nfs/dbraw/zinc/10/60/32/334106032.db2.gz FFJRUEOOXZPJOL-RDJZCZTQSA-N 0 3 286.419 2.804 20 30 CFEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175171374 335176820 /nfs/dbraw/zinc/17/68/20/335176820.db2.gz HFCHZMBMASBGHE-INIZCTEOSA-N 0 3 272.392 2.847 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCC1CC1 ZINC000135284246 334123396 /nfs/dbraw/zinc/12/33/96/334123396.db2.gz XOKLENCPZXDKSS-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)CCO1 ZINC000576271989 335180167 /nfs/dbraw/zinc/18/01/67/335180167.db2.gz NOWAGBDJFDLLQA-MCIONIFRSA-N 0 3 263.385 2.613 20 30 CFEDHN C[C@@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000245418546 334191568 /nfs/dbraw/zinc/19/15/68/334191568.db2.gz AWIBTQSAYIFQTO-VYDXJSESSA-N 0 3 291.439 2.840 20 30 CFEDHN N#CCc1ccccc1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000549715281 334202516 /nfs/dbraw/zinc/20/25/16/334202516.db2.gz IRLYESNAFKZRRP-MRXNPFEDSA-N 0 3 283.375 2.566 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc3[nH]ccc32)CC1 ZINC000081687372 334203526 /nfs/dbraw/zinc/20/35/26/334203526.db2.gz HETVRTRLVJJYKN-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550079873 334212413 /nfs/dbraw/zinc/21/24/13/334212413.db2.gz SGKIQEHAKDNSTP-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1ccccc1CN(C)C ZINC000551828516 334263539 /nfs/dbraw/zinc/26/35/39/334263539.db2.gz XWWKLRNPEBIOTC-ZDUSSCGKSA-N 0 3 276.380 2.668 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248920252 334321720 /nfs/dbraw/zinc/32/17/20/334321720.db2.gz KSGVJMSKGKDQKW-KCQAQPDRSA-N 0 3 252.402 2.530 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000249289744 334331454 /nfs/dbraw/zinc/33/14/54/334331454.db2.gz AEHIXWZLVACRHH-OAGGEKHMSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@@H](CCc1n[nH]c2ccccc21)NCC1(C#N)CC1 ZINC000555709281 334487890 /nfs/dbraw/zinc/48/78/90/334487890.db2.gz MWCMXVCLONAZBX-LBPRGKRZSA-N 0 3 268.364 2.777 20 30 CFEDHN CN(C)c1ncc(CN2CCC(CCC#N)CC2)s1 ZINC000565716795 334590878 /nfs/dbraw/zinc/59/08/78/334590878.db2.gz CWFATSKYFWWBLI-UHFFFAOYSA-N 0 3 278.425 2.725 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(OC)cc1F ZINC000568033463 334786091 /nfs/dbraw/zinc/78/60/91/334786091.db2.gz NWWUWIDBYIFUMS-WFASDCNBSA-N 0 3 265.328 2.515 20 30 CFEDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CC1 ZINC000576450140 335204588 /nfs/dbraw/zinc/20/45/88/335204588.db2.gz BQEUHRLNLZOQII-GFCCVEGCSA-N 0 3 273.336 2.809 20 30 CFEDHN Cc1nc2ccccc2n1CCCNC[C@@H](C#N)CCC#N ZINC000576508314 335212627 /nfs/dbraw/zinc/21/26/27/335212627.db2.gz BLIQGEHAVRJNOE-OAHLLOKOSA-N 0 3 295.390 2.768 20 30 CFEDHN CN1CCC[C@@H](CNCCC#N)[C@H]1c1cccs1 ZINC000577216850 335324457 /nfs/dbraw/zinc/32/44/57/335324457.db2.gz VSOHZZFHPURNHJ-JSGCOSHPSA-N 0 3 263.410 2.634 20 30 CFEDHN C=CCCCCCNC(=O)[C@@H]1CCCN1CCC ZINC000577648220 335385837 /nfs/dbraw/zinc/38/58/37/335385837.db2.gz CNBZEQHSSINPOX-AWEZNQCLSA-N 0 3 252.402 2.723 20 30 CFEDHN C/C=C\C[C@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000349802706 335482507 /nfs/dbraw/zinc/48/25/07/335482507.db2.gz OKONRLFUEYECNT-RXYHWBRQSA-N 0 3 288.391 2.786 20 30 CFEDHN OC[C@@H](NCC#Cc1ccccc1Cl)C1CCCC1 ZINC000579531676 335784100 /nfs/dbraw/zinc/78/41/00/335784100.db2.gz FGGNUTCDXKMHSG-MRXNPFEDSA-N 0 3 277.795 2.832 20 30 CFEDHN Cc1cc([C@@H](C)NCCC(=O)N(C)CCC#N)c(C)s1 ZINC000182757858 335840734 /nfs/dbraw/zinc/84/07/34/335840734.db2.gz WIGPRXUZKSRVEU-GFCCVEGCSA-N 0 3 293.436 2.778 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CNC/C=C/CC ZINC000579824852 335896925 /nfs/dbraw/zinc/89/69/25/335896925.db2.gz WWPGGVXBEFMTSK-WHWKNOJMSA-N 0 3 275.392 2.711 20 30 CFEDHN N#CCCCNCCC(=O)Nc1cccc(Cl)c1 ZINC000581126838 336011708 /nfs/dbraw/zinc/01/17/08/336011708.db2.gz FUHXLVSRLIZSNU-UHFFFAOYSA-N 0 3 265.744 2.562 20 30 CFEDHN C#C[C@H](NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000382902885 336098679 /nfs/dbraw/zinc/09/86/79/336098679.db2.gz FUBTZJJVKIGIDC-UONOGXRCSA-N 0 3 285.309 2.986 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001085633098 782123268 /nfs/dbraw/zinc/12/32/68/782123268.db2.gz LWPBYXFYZMKKKO-STQMWFEESA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001085664393 782126462 /nfs/dbraw/zinc/12/64/62/782126462.db2.gz KMYMDMVXOAYGGB-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)n1cc(C(C)(C)N)nn1 ZINC000656457971 500580483 /nfs/dbraw/zinc/58/04/83/500580483.db2.gz UZIYVVBQPHAPPR-CQSZACIVSA-N 0 3 270.380 2.832 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085776499 782157172 /nfs/dbraw/zinc/15/71/72/782157172.db2.gz UCGQLUBUFZFAAL-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN CC(C#N)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000347141330 534281594 /nfs/dbraw/zinc/28/15/94/534281594.db2.gz VENKAKMHQLNHMR-SNVBAGLBSA-N 0 3 295.180 2.610 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000334183934 518707439 /nfs/dbraw/zinc/70/74/39/518707439.db2.gz CTALUFYFSIDTLC-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)CN(CC)CC ZINC000061757349 518789414 /nfs/dbraw/zinc/78/94/14/518789414.db2.gz VCIXJTKTJMCEAN-UHFFFAOYSA-N 0 3 266.410 2.605 20 30 CFEDHN CC(C)N1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000336030854 519674936 /nfs/dbraw/zinc/67/49/36/519674936.db2.gz HJDGXKKEZXNBIC-HNNXBMFYSA-N 0 3 299.418 2.604 20 30 CFEDHN CC(C)CN1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162899663 519726998 /nfs/dbraw/zinc/72/69/98/519726998.db2.gz BSSZLDOROQKVIH-UHFFFAOYSA-N 0 3 291.826 2.985 20 30 CFEDHN CC(C)OCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000361839633 519761919 /nfs/dbraw/zinc/76/19/19/519761919.db2.gz KHORGLIUIWGMIW-UHFFFAOYSA-N 0 3 264.344 2.944 20 30 CFEDHN CCCCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930684 519906238 /nfs/dbraw/zinc/90/62/38/519906238.db2.gz AVYJWQCFSIHEIB-UHFFFAOYSA-N 0 3 287.407 2.639 20 30 CFEDHN CC1(C)C[C@@H](O)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000336307002 520529004 /nfs/dbraw/zinc/52/90/04/520529004.db2.gz SBAHSKUJZZVUHT-AWEZNQCLSA-N 0 3 276.355 2.680 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000338438784 520587850 /nfs/dbraw/zinc/58/78/50/520587850.db2.gz ICVWHQDZBGVUQW-KRWDZBQOSA-N 0 3 299.418 2.943 20 30 CFEDHN N#CC1(F)CCN(CCCCC2CCOCC2)CC1 ZINC000352468524 534567237 /nfs/dbraw/zinc/56/72/37/534567237.db2.gz SNPWCFWYBOTXNJ-UHFFFAOYSA-N 0 3 268.376 2.911 20 30 CFEDHN CCN1CCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000311982942 521640560 /nfs/dbraw/zinc/64/05/60/521640560.db2.gz QYXVENLXCPLUJY-GFCCVEGCSA-N 0 3 278.787 2.811 20 30 CFEDHN CCC(O)(CC)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305864611 521657098 /nfs/dbraw/zinc/65/70/98/521657098.db2.gz YIJXFMFFFMWXSM-NSHDSACASA-N 0 3 264.344 2.899 20 30 CFEDHN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268609355 534603088 /nfs/dbraw/zinc/60/30/88/534603088.db2.gz WEXDHUXUIOHVEL-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248720369 534623575 /nfs/dbraw/zinc/62/35/75/534623575.db2.gz CGQILVVWROBBNL-GOEBONIOSA-N 0 3 272.392 2.589 20 30 CFEDHN Cc1nc2c(cccc2C(=O)N[C@@H]2CCN(C)[C@H](C)C2)o1 ZINC000329980102 534626698 /nfs/dbraw/zinc/62/66/98/534626698.db2.gz KQWNPABGYGBFQO-ZYHUDNBSSA-N 0 3 287.363 2.924 20 30 CFEDHN COc1cc(CN[C@@H](C)CC(F)(F)F)ccc1C#N ZINC000234851268 522474217 /nfs/dbraw/zinc/47/42/17/522474217.db2.gz MRVUMIGOMTYDQA-VIFPVBQESA-N 0 3 272.270 2.997 20 30 CFEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000361469245 522484386 /nfs/dbraw/zinc/48/43/86/522484386.db2.gz LPBNJWRDBBBCFI-INIZCTEOSA-N 0 3 299.418 2.685 20 30 CFEDHN CC[C@H](O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000305803011 522803463 /nfs/dbraw/zinc/80/34/63/522803463.db2.gz FGRYEFQHJNBBBA-JQWIXIFHSA-N 0 3 250.317 2.509 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192024541 522832274 /nfs/dbraw/zinc/83/22/74/522832274.db2.gz AQCSMPKQMVCKQM-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN CC[C@@H](O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000305803010 522990913 /nfs/dbraw/zinc/99/09/13/522990913.db2.gz FGRYEFQHJNBBBA-CMPLNLGQSA-N 0 3 250.317 2.509 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCC[C@@H]1O ZINC000192167878 523207884 /nfs/dbraw/zinc/20/78/84/523207884.db2.gz NKDPBISFWBXEJU-HOCLYGCPSA-N 0 3 276.355 2.680 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000227598678 523760004 /nfs/dbraw/zinc/76/00/04/523760004.db2.gz KAKSTTCXXPOQJH-ZIAGYGMSSA-N 0 3 262.328 2.600 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000227830589 523774914 /nfs/dbraw/zinc/77/49/14/523774914.db2.gz NPBZEOIJYNEKHA-NWDGAFQWSA-N 0 3 250.367 2.523 20 30 CFEDHN CN1CCC[C@@H](CNc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078836032 523814338 /nfs/dbraw/zinc/81/43/38/523814338.db2.gz CIXWZBXYUBFVRI-JTQLQIEISA-N 0 3 298.312 2.726 20 30 CFEDHN Cc1coc(SCC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000330110401 534751024 /nfs/dbraw/zinc/75/10/24/534751024.db2.gz QMBVTELDCBDTJK-UHFFFAOYSA-N 0 3 295.408 2.658 20 30 CFEDHN Cc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)cc1C ZINC000366366963 524444184 /nfs/dbraw/zinc/44/41/84/524444184.db2.gz BTHFYZNJCFKMLT-UHFFFAOYSA-N 0 3 295.390 2.604 20 30 CFEDHN C=CCC[C@H](O)CNC(C)(C)c1ccccc1OC ZINC000268578861 534806364 /nfs/dbraw/zinc/80/63/64/534806364.db2.gz SPYNRWNLPOKELP-ZDUSSCGKSA-N 0 3 263.381 2.847 20 30 CFEDHN C[C@@H](CO)N(Cc1cccc(C#N)c1F)CC1CCC1 ZINC000361502226 524787772 /nfs/dbraw/zinc/78/77/72/524787772.db2.gz VPDNXXQMQINCEF-LBPRGKRZSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000166716733 525404412 /nfs/dbraw/zinc/40/44/12/525404412.db2.gz OVVVWFHFADZVNX-RDBSUJKOSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@@H](N[C@H]1CCSC1)c1ccc(C#N)cc1F ZINC000334467580 525688524 /nfs/dbraw/zinc/68/85/24/525688524.db2.gz WSIXGOPYGOELNP-KOLCDFICSA-N 0 3 250.342 2.853 20 30 CFEDHN C[C@H](C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000360275263 525944868 /nfs/dbraw/zinc/94/48/68/525944868.db2.gz AEJNZASUKNGTDP-KEYYUXOJSA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)n(C)c1 ZINC000364716584 526025155 /nfs/dbraw/zinc/02/51/55/526025155.db2.gz GVEWEVPSTZXXEJ-SCLBCKFNSA-N 0 3 295.386 2.721 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)C[C@H](C)C1 ZINC000215965692 526152656 /nfs/dbraw/zinc/15/26/56/526152656.db2.gz MGWYJTDIXSHIIR-HZSPNIEDSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCN(CCC(=O)N1CCC[C@H]1C)CCc1ccco1 ZINC000352700703 526271195 /nfs/dbraw/zinc/27/11/95/526271195.db2.gz XCBZDESYCZKJEO-OAHLLOKOSA-N 0 3 290.407 2.711 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1ccc2c(c1)nnn2C ZINC000352721788 526327074 /nfs/dbraw/zinc/32/70/74/526327074.db2.gz XEJJQQSJKQREDJ-UHFFFAOYSA-N 0 3 296.374 2.792 20 30 CFEDHN C=C(C)CCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000351985718 526455224 /nfs/dbraw/zinc/45/52/24/526455224.db2.gz ATAODAGHCXJOJW-CYBMUJFWSA-N 0 3 256.353 2.884 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]3COCC[C@H]32)ccc1F ZINC000336455144 526549575 /nfs/dbraw/zinc/54/95/75/526549575.db2.gz VAKMEQDFCPPEGD-CZUORRHYSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)ccc1F ZINC000336449721 526549749 /nfs/dbraw/zinc/54/97/49/526549749.db2.gz FCTALLNHARXQFR-ZIAGYGMSSA-N 0 3 274.339 2.556 20 30 CFEDHN C=C(C)CN(CCCSC)Cc1ccc(CO)o1 ZINC000352801291 526550627 /nfs/dbraw/zinc/55/06/27/526550627.db2.gz SGSRENMXJWVTDS-UHFFFAOYSA-N 0 3 269.410 2.903 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)nc2)CC1 ZINC000106039732 526600707 /nfs/dbraw/zinc/60/07/07/526600707.db2.gz XQWAYNFZEFQLCV-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000336085718 526611298 /nfs/dbraw/zinc/61/12/98/526611298.db2.gz MORDWUJQMCUGSA-HZPDHXFCSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)cc1F ZINC000336085984 526616607 /nfs/dbraw/zinc/61/66/07/526616607.db2.gz RBVOKACTGWGRQZ-INIZCTEOSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(CNCCOc2cccc(F)c2)cc1 ZINC000069832950 526622751 /nfs/dbraw/zinc/62/27/51/526622751.db2.gz NTOIARAHCKFRBA-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN N#Cc1ccc(CNCCC[C@H]2CCCC[C@H]2O)o1 ZINC000305148534 526623354 /nfs/dbraw/zinc/62/33/54/526623354.db2.gz ZGBQEAGQFOIBOL-IUODEOHRSA-N 0 3 262.353 2.572 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccc(F)cc2)cc1 ZINC000072949266 526676596 /nfs/dbraw/zinc/67/65/96/526676596.db2.gz BCECXWOILQETBX-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCCC3(CCC3)C2)cc1 ZINC000366339206 526688543 /nfs/dbraw/zinc/68/85/43/526688543.db2.gz BAMUOOBTWSJJNX-INIZCTEOSA-N 0 3 270.376 2.858 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CCOC1 ZINC000360658437 526691662 /nfs/dbraw/zinc/69/16/62/526691662.db2.gz SNGMLMNIZUCQRS-HOCLYGCPSA-N 0 3 256.349 2.704 20 30 CFEDHN N#Cc1ccc2ncc(CN[C@H]3CCCC(F)(F)C3)n2c1 ZINC000334831944 526694289 /nfs/dbraw/zinc/69/42/89/526694289.db2.gz AYUJYMFPTBBNEW-LBPRGKRZSA-N 0 3 290.317 2.873 20 30 CFEDHN N#Cc1cccc(CNC2(CCO)CCCCC2)c1F ZINC000340842900 526707404 /nfs/dbraw/zinc/70/74/04/526707404.db2.gz VZJIFZFNZRJCKI-UHFFFAOYSA-N 0 3 276.355 2.872 20 30 CFEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(CC#N)cc2)C[C@H]1O ZINC000347804203 526733017 /nfs/dbraw/zinc/73/30/17/526733017.db2.gz ZISPQJVJGUPSQJ-DLBZAZTESA-N 0 3 286.419 2.982 20 30 CFEDHN C=C(C)[C@@H](CC(=O)NC[C@@H]1N(C)CCCC1(C)C)OCC ZINC000344628659 526749131 /nfs/dbraw/zinc/74/91/31/526749131.db2.gz AJPUXKDYSRMZND-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000336359245 526781773 /nfs/dbraw/zinc/78/17/73/526781773.db2.gz KNFFXXMWZRAAOU-UONOGXRCSA-N 0 3 276.405 2.868 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](COC)C1 ZINC000353590262 526932921 /nfs/dbraw/zinc/93/29/21/526932921.db2.gz DFJKHAGLQXYRTL-CQSZACIVSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000354644839 527043822 /nfs/dbraw/zinc/04/38/22/527043822.db2.gz UJVFCQYIBWFTLE-UKRRQHHQSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCCC1(C(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000356142611 527081415 /nfs/dbraw/zinc/08/14/15/527081415.db2.gz AJLSIXSZVWJOBF-AWEZNQCLSA-N 0 3 264.413 2.533 20 30 CFEDHN C#CCOc1ccc(CNC[C@H](O)c2ccccc2C)cc1 ZINC000113342107 527105432 /nfs/dbraw/zinc/10/54/32/527105432.db2.gz KQGGNZHDMVJIOC-IBGZPJMESA-N 0 3 295.382 2.830 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H]1CCCCN1CC ZINC000351683915 527158757 /nfs/dbraw/zinc/15/87/57/527158757.db2.gz GDJGXHMQCXMSSW-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN Cn1cc(CN2CC[C@H](Nc3ccccc3)C2)cc1C#N ZINC000191297156 527206688 /nfs/dbraw/zinc/20/66/88/527206688.db2.gz CRKREGRCMDJRAK-INIZCTEOSA-N 0 3 280.375 2.583 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC12CCC2 ZINC000353011623 527260996 /nfs/dbraw/zinc/26/09/96/527260996.db2.gz LAXMZNOQRPRNKN-INIZCTEOSA-N 0 3 287.403 2.783 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355124843 527275705 /nfs/dbraw/zinc/27/57/05/527275705.db2.gz LNYDJNOMGPRVCZ-HNNXBMFYSA-N 0 3 284.407 2.820 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000353582941 527594999 /nfs/dbraw/zinc/59/49/99/527594999.db2.gz VJAGHGACHNGRQT-UKRRQHHQSA-N 0 3 263.381 2.919 20 30 CFEDHN C=C[C@H](CO)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000353570186 527595390 /nfs/dbraw/zinc/59/53/90/527595390.db2.gz DNHVXFVCLMWAAT-OWCLPIDISA-N 0 3 275.392 2.507 20 30 CFEDHN Cn1nccc1[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000336255341 527629419 /nfs/dbraw/zinc/62/94/19/527629419.db2.gz PRDXLNYPPIWFPF-AWEZNQCLSA-N 0 3 298.365 2.810 20 30 CFEDHN CC(C)CCOCCNCc1ccc(C#N)c(F)c1 ZINC000404097290 527760343 /nfs/dbraw/zinc/76/03/43/527760343.db2.gz CRDGOAOTCFPCKD-UHFFFAOYSA-N 0 3 264.344 2.850 20 30 CFEDHN CC(C)CCOc1ccccc1CNC(=O)C(C)C#N ZINC000347132506 527788550 /nfs/dbraw/zinc/78/85/50/527788550.db2.gz JJXOLIOLHIDDNP-ZDUSSCGKSA-N 0 3 274.364 2.887 20 30 CFEDHN CC(C)COc1ccc(CCNC(=O)C(C)C#N)cc1 ZINC000347102073 528150982 /nfs/dbraw/zinc/15/09/82/528150982.db2.gz HHTQDSKQXKPZLG-ZDUSSCGKSA-N 0 3 274.364 2.540 20 30 CFEDHN CCOc1ccccc1C1=CCN(C(=O)C(C)C#N)CC1 ZINC000347039731 528713815 /nfs/dbraw/zinc/71/38/15/528713815.db2.gz PYBLWFRMGROAAQ-ZDUSSCGKSA-N 0 3 284.359 2.861 20 30 CFEDHN CC(C)[C@H](C(=O)N[C@H]1CCCNC1=O)N1CCCCC1 ZINC000329085710 528895497 /nfs/dbraw/zinc/89/54/97/528895497.db2.gz GLEODMKVFOPNPI-QWHCGFSZSA-N 0 3 281.400 2.572 20 30 CFEDHN CCOC[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000427887276 528980200 /nfs/dbraw/zinc/98/02/00/528980200.db2.gz PBFCFCFBZHLCBC-WDEREUQCSA-N 0 3 250.317 2.773 20 30 CFEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000331939352 529299196 /nfs/dbraw/zinc/29/91/96/529299196.db2.gz IGUVBKXIYQDNLL-BFYDXBDKSA-N 0 3 293.455 2.941 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@@H]2CCO[C@@H]21 ZINC000269422082 535072406 /nfs/dbraw/zinc/07/24/06/535072406.db2.gz LZZMNPSTQLLRGR-CFVMTHIKSA-N 0 3 274.339 2.600 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(C)c1 ZINC000449756672 535753668 /nfs/dbraw/zinc/75/36/68/535753668.db2.gz QIFYRDUISAODFO-HZPDHXFCSA-N 0 3 258.365 2.914 20 30 CFEDHN CN(C)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491507594 535955998 /nfs/dbraw/zinc/95/59/98/535955998.db2.gz TWSOFVJFRVJHQW-SXSDINLZSA-N 0 3 297.402 2.514 20 30 CFEDHN COC[C@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000449775939 536526885 /nfs/dbraw/zinc/52/68/85/536526885.db2.gz NOXSPDAUTOPBIX-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834464 782179539 /nfs/dbraw/zinc/17/95/39/782179539.db2.gz LIRANOPVDSSEJF-AWEZNQCLSA-N 0 3 297.402 2.890 20 30 CFEDHN COC1(C(=O)C(C#N)c2nc3ccccc3n2C)CCCC1 ZINC000753892027 574053316 /nfs/dbraw/zinc/05/33/16/574053316.db2.gz UBDWQGRGWOKSDJ-GFCCVEGCSA-N 0 3 297.358 2.709 20 30 CFEDHN CCc1ccc(C(C)=NNC2=N[C@H]3CCCC[C@@H]3N2)s1 ZINC000753933977 574056065 /nfs/dbraw/zinc/05/60/65/574056065.db2.gz DUDWBCSAGRPWSN-STQMWFEESA-N 0 3 290.436 2.895 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000754044769 574065112 /nfs/dbraw/zinc/06/51/12/574065112.db2.gz YWVOTOZSHHUTAO-FZMZJTMJSA-N 0 3 271.364 2.655 20 30 CFEDHN CO[C@@H](CNCc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000744449206 574075129 /nfs/dbraw/zinc/07/51/29/574075129.db2.gz SPSVETFFEMZRDY-BBRMVZONSA-N 0 3 276.380 2.738 20 30 CFEDHN CC#CCOC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000744523140 574079449 /nfs/dbraw/zinc/07/94/49/574079449.db2.gz ZVEBZKQJNNUWEQ-UHFFFAOYSA-N 0 3 271.360 2.853 20 30 CFEDHN COC[C@H](NCc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000754207010 574082388 /nfs/dbraw/zinc/08/23/88/574082388.db2.gz AGZHWCJOKGPPPI-AWEZNQCLSA-N 0 3 294.782 2.757 20 30 CFEDHN CC(C)N1CC(N=Nc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000754262222 574085248 /nfs/dbraw/zinc/08/52/48/574085248.db2.gz ZVGBFVJLHLZEDE-LBPRGKRZSA-N 0 3 285.395 2.701 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN2CCC)c1 ZINC000728537074 574099291 /nfs/dbraw/zinc/09/92/91/574099291.db2.gz XAGPFKLHKSDMAS-INIZCTEOSA-N 0 3 270.376 2.505 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C(C)=C\C)C(C)C ZINC000751383487 574103535 /nfs/dbraw/zinc/10/35/35/574103535.db2.gz WMCMRFVENIKINE-MZLJFPOFSA-N 0 3 264.413 2.767 20 30 CFEDHN CCN(Cc1ccc(F)cc1C#N)C[C@@H]1CCOC1 ZINC000728688111 574105087 /nfs/dbraw/zinc/10/50/87/574105087.db2.gz GZYVISNJZZLXOI-LBPRGKRZSA-N 0 3 262.328 2.556 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCCOC(C)(C)C)cc1 ZINC000728711491 574105819 /nfs/dbraw/zinc/10/58/19/574105819.db2.gz BDPKESOULIYULR-ZDUSSCGKSA-N 0 3 276.380 2.882 20 30 CFEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000728766534 574107253 /nfs/dbraw/zinc/10/72/53/574107253.db2.gz BFVKEGXHMLOHCP-BDAKNGLRSA-N 0 3 296.779 2.739 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(C)s1 ZINC000754670990 574112544 /nfs/dbraw/zinc/11/25/44/574112544.db2.gz CQJYCGLSIUKQFE-ZDUSSCGKSA-N 0 3 278.421 2.908 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000731211657 574113181 /nfs/dbraw/zinc/11/31/81/574113181.db2.gz SVQABBJMEYWTMC-OAHLLOKOSA-N 0 3 296.374 2.692 20 30 CFEDHN CCCCCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000754866986 574125840 /nfs/dbraw/zinc/12/58/40/574125840.db2.gz UIEZENDAIUBSDK-AWEZNQCLSA-N 0 3 269.433 2.740 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000746214951 574140592 /nfs/dbraw/zinc/14/05/92/574140592.db2.gz HDIFNGGFNFSJCP-KBPBESRZSA-N 0 3 270.376 2.504 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCCc1ccc(C)cc1 ZINC000746417458 574148561 /nfs/dbraw/zinc/14/85/61/574148561.db2.gz YYJIFOCODJKQQW-MRXNPFEDSA-N 0 3 298.386 2.719 20 30 CFEDHN CC(C)(C#N)CCCN1CCCC[C@H]1C1OCCO1 ZINC000746666088 574161418 /nfs/dbraw/zinc/16/14/18/574161418.db2.gz IOJGWTGKWJVTEP-ZDUSSCGKSA-N 0 3 266.385 2.544 20 30 CFEDHN CCCCCCCCNC(=O)N1CCN2CCC[C@H]2C1 ZINC000755077589 574199216 /nfs/dbraw/zinc/19/92/16/574199216.db2.gz HBORMKJYSPHAAB-HNNXBMFYSA-N 0 3 281.444 2.837 20 30 CFEDHN C#CCSCCNCc1ccc(OC)cc1Cl ZINC000740017868 574232226 /nfs/dbraw/zinc/23/22/26/574232226.db2.gz DMHHFYZGDPIEET-UHFFFAOYSA-N 0 3 269.797 2.805 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2ccc(CC)s2)CC1 ZINC000740735994 574264822 /nfs/dbraw/zinc/26/48/22/574264822.db2.gz YWGGEUMDFGNQAD-UHFFFAOYSA-N 0 3 290.432 2.528 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)[C@H](O)c1cccc(F)c1 ZINC000749120797 574281248 /nfs/dbraw/zinc/28/12/48/574281248.db2.gz WZWUJYXFEZGUKP-SJCJKPOMSA-N 0 3 284.334 2.909 20 30 CFEDHN C#CCN(CCOC[C@@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000741244022 574284298 /nfs/dbraw/zinc/28/42/98/574284298.db2.gz CBWWIDGHZFSFNH-HKUYNNGSSA-N 0 3 299.414 2.805 20 30 CFEDHN C[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000725780140 574307040 /nfs/dbraw/zinc/30/70/40/574307040.db2.gz XDYIZKJROKRLIY-ZDUSSCGKSA-N 0 3 266.348 2.721 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cccc1 ZINC000735208966 574316462 /nfs/dbraw/zinc/31/64/62/574316462.db2.gz PPQCFYJVXHFDQO-DZGCQCFKSA-N 0 3 295.342 2.787 20 30 CFEDHN C=CCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413681 574322527 /nfs/dbraw/zinc/32/25/27/574322527.db2.gz XGPYOUOQSORJFF-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCC[N@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735413681 574322529 /nfs/dbraw/zinc/32/25/29/574322529.db2.gz XGPYOUOQSORJFF-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413681 574322531 /nfs/dbraw/zinc/32/25/31/574322531.db2.gz XGPYOUOQSORJFF-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCC[N@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735413681 574322533 /nfs/dbraw/zinc/32/25/33/574322533.db2.gz XGPYOUOQSORJFF-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@@H]3CCCO3)nc21 ZINC000735792941 574335759 /nfs/dbraw/zinc/33/57/59/574335759.db2.gz PBJUFUFXVSSCHM-RYUDHWBXSA-N 0 3 283.331 2.617 20 30 CFEDHN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NCCC#N)cc1 ZINC000743858234 574374621 /nfs/dbraw/zinc/37/46/21/574374621.db2.gz VLJBNCHFDDKATQ-IAGOWNOFSA-N 0 3 299.418 2.593 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000744025152 574375838 /nfs/dbraw/zinc/37/58/38/574375838.db2.gz HMOMFLDUPZQMAX-UJYKQDJBSA-N 0 3 288.734 2.954 20 30 CFEDHN C[C@@H]1C[C@H](C)CN([C@@H]2CCCCC2=NN2CCOCC2)C1 ZINC000751517436 574378213 /nfs/dbraw/zinc/37/82/13/574378213.db2.gz WOCXDQUFHLMOLD-HLLBOEOZSA-N 0 3 293.455 2.595 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(Br)cc1 ZINC000752161987 574388737 /nfs/dbraw/zinc/38/87/37/574388737.db2.gz YUUPLXOCHJDXCL-SECBINFHSA-N 0 3 282.185 2.799 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccccc1Br ZINC000752161433 574388663 /nfs/dbraw/zinc/38/86/63/574388663.db2.gz SJDFFDVVJNFXTF-SECBINFHSA-N 0 3 282.185 2.799 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccccc1Br ZINC000752161435 574388696 /nfs/dbraw/zinc/38/86/96/574388696.db2.gz SJDFFDVVJNFXTF-VIFPVBQESA-N 0 3 282.185 2.799 20 30 CFEDHN CCCCCCCCCCN1CCN2C(=O)NC[C@@H]2C1 ZINC000752332685 574390379 /nfs/dbraw/zinc/39/03/79/574390379.db2.gz RJCAWTRHNVTOQO-OAHLLOKOSA-N 0 3 281.444 2.837 20 30 CFEDHN C#CCC1(NCc2cccc(Br)n2)CCC1 ZINC000933292805 618188712 /nfs/dbraw/zinc/18/87/12/618188712.db2.gz DRAANXFEBUTJED-UHFFFAOYSA-N 0 3 279.181 2.880 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000935663159 649927506 /nfs/dbraw/zinc/92/75/06/649927506.db2.gz PDKPBNBFKVCTMR-ZFWWWQNUSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823888473 608285081 /nfs/dbraw/zinc/28/50/81/608285081.db2.gz NIQCKNXILFGYCM-GHMZBOCLSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823888473 608285082 /nfs/dbraw/zinc/28/50/82/608285082.db2.gz NIQCKNXILFGYCM-GHMZBOCLSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823888847 609341856 /nfs/dbraw/zinc/34/18/56/609341856.db2.gz YOGPHAVGEUTELC-VHSXEESVSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823888847 609341858 /nfs/dbraw/zinc/34/18/58/609341858.db2.gz YOGPHAVGEUTELC-VHSXEESVSA-N 0 3 275.331 2.621 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000982047017 613003771 /nfs/dbraw/zinc/00/37/71/613003771.db2.gz LTMCFJRSJDGMRR-KRWDZBQOSA-N 0 3 298.430 2.656 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964774655 613022604 /nfs/dbraw/zinc/02/26/04/613022604.db2.gz QNXNXRKSXNNVST-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975057755 613031738 /nfs/dbraw/zinc/03/17/38/613031738.db2.gz QQSNNTZMQOWEJH-BZUAXINKSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977570845 613038329 /nfs/dbraw/zinc/03/83/29/613038329.db2.gz HXGOQJVLNCMNHO-KRWDZBQOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#Cc1ccc(C(=O)N2CCN(CC3CCCC3)CC2)cc1 ZINC000949597352 613170148 /nfs/dbraw/zinc/17/01/48/613170148.db2.gz WBYZGHDEPXWIOP-UHFFFAOYSA-N 0 3 296.414 2.616 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@H]2C)cc1 ZINC000967678349 613186712 /nfs/dbraw/zinc/18/67/12/613186712.db2.gz PCPCXDLFWBWOLT-CRAIPNDOSA-N 0 3 296.414 2.684 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCCC2)C[C@@H]1C ZINC000947399218 613223172 /nfs/dbraw/zinc/22/31/72/613223172.db2.gz DKVUBTCCZUHECH-JKSUJKDBSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C[C@@H]1C ZINC000948007538 613230752 /nfs/dbraw/zinc/23/07/52/613230752.db2.gz SYMMIIZGXDAQDF-DLBZAZTESA-N 0 3 298.430 2.828 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C[C@@H]1C ZINC000948082272 613257832 /nfs/dbraw/zinc/25/78/32/613257832.db2.gz AIPOQMUHRRLIEC-HOCLYGCPSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc3occc3c2)C[C@H]1C ZINC000947334631 613270047 /nfs/dbraw/zinc/27/00/47/613270047.db2.gz PEJSHGCCYFNJMF-CJNGLKHVSA-N 0 3 296.370 2.649 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)C[C@H]1C ZINC000947994010 613270103 /nfs/dbraw/zinc/27/01/03/613270103.db2.gz LNAUJLMYEHEYGI-ZBFHGGJFSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000945224317 613270729 /nfs/dbraw/zinc/27/07/29/613270729.db2.gz QTXKYYPNOXCGDK-KDOFPFPSSA-N 0 3 296.414 2.637 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC000969954062 613298898 /nfs/dbraw/zinc/29/88/98/613298898.db2.gz QIROQUPJDGMPBI-UKRRQHHQSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199192 613299401 /nfs/dbraw/zinc/29/94/01/613299401.db2.gz RIBXVSNGHNSZHB-FPCVCCKLSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000969819988 613299520 /nfs/dbraw/zinc/29/95/20/613299520.db2.gz FGYUVVVLRPNQEE-GFCCVEGCSA-N 0 3 287.407 2.518 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)ccc2F)C1 ZINC000970492452 613300105 /nfs/dbraw/zinc/30/01/05/613300105.db2.gz IWYBYRXQDGYPKC-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969528712 613301630 /nfs/dbraw/zinc/30/16/30/613301630.db2.gz 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/nfs/dbraw/zinc/19/44/24/618194424.db2.gz IWFIIMHNRDBFNU-LLVKDONJSA-N 0 3 291.782 2.598 20 30 CFEDHN C#CCC1(NCC(=O)Nc2cc(C)cc(C)c2)CCC1 ZINC000933300195 618194503 /nfs/dbraw/zinc/19/45/03/618194503.db2.gz UBEYSAZKQFZVLS-UHFFFAOYSA-N 0 3 270.376 2.778 20 30 CFEDHN C#CCC1([NH2+]Cc2cc(=O)oc3c(C)c([O-])ccc23)CCC1 ZINC000933300362 618194534 /nfs/dbraw/zinc/19/45/34/618194534.db2.gz ZQERPXKAZOKARG-UHFFFAOYSA-N 0 3 297.354 2.843 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)N(CC)c2ccccc2)CCC1 ZINC000933301376 618194574 /nfs/dbraw/zinc/19/45/74/618194574.db2.gz FIHVHTMUBQQIRA-OAHLLOKOSA-N 0 3 284.403 2.964 20 30 CFEDHN C=C1CCC(C(=O)NC[C@@H]2CCCN(CC#CC)C2)CC1 ZINC001023571209 618200413 /nfs/dbraw/zinc/20/04/13/618200413.db2.gz JWWYOFRPTCXMJM-INIZCTEOSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001023767230 618223783 /nfs/dbraw/zinc/22/37/83/618223783.db2.gz DLNCAGIBHMULTC-OAHLLOKOSA-N 0 3 296.414 2.639 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)c1cnn(C)n1 ZINC000926591653 618224534 /nfs/dbraw/zinc/22/45/34/618224534.db2.gz MZBMQYGFHSBILV-DZGCQCFKSA-N 0 3 270.380 2.653 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NNC1C[C@H](C)O[C@@H](C)C1 ZINC000901303827 620780591 /nfs/dbraw/zinc/78/05/91/620780591.db2.gz POEPHJTZAXLDNW-KBPBESRZSA-N 0 3 289.423 2.941 20 30 CFEDHN CC(C)C(=O)N1CCC[C@H](CNCc2ccccc2C#N)C1 ZINC001023848434 618229148 /nfs/dbraw/zinc/22/91/48/618229148.db2.gz IHMJHWJFNILWKB-OAHLLOKOSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000894028347 618280606 /nfs/dbraw/zinc/28/06/06/618280606.db2.gz NUTXOWVVWXAGMY-KKUMJFAQSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008323463 618288664 /nfs/dbraw/zinc/28/86/64/618288664.db2.gz QFORUOZEWVYQFI-CQSZACIVSA-N 0 3 288.391 2.927 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1C ZINC001024307436 618289797 /nfs/dbraw/zinc/28/97/97/618289797.db2.gz UKQYJOXIIZBXJL-MRXNPFEDSA-N 0 3 284.403 2.603 20 30 CFEDHN Cn1ccnc1[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000894061032 618299296 /nfs/dbraw/zinc/29/92/96/618299296.db2.gz AEXNRPGAUJHLBY-ZDUSSCGKSA-N 0 3 286.404 2.733 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024388319 618304795 /nfs/dbraw/zinc/30/47/95/618304795.db2.gz DGXTWFDVTXXNMX-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCCCCC ZINC000892464820 618305144 /nfs/dbraw/zinc/30/51/44/618305144.db2.gz KDNLNTQOKNRXPJ-GFCCVEGCSA-N 0 3 264.369 2.604 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccsc1C ZINC001024433196 618314848 /nfs/dbraw/zinc/31/48/48/618314848.db2.gz BBDYCYOGORPKFO-AWEZNQCLSA-N 0 3 290.432 2.664 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1O ZINC000894090433 618318429 /nfs/dbraw/zinc/31/84/29/618318429.db2.gz MDPXAKBDWDBXJK-CYBMUJFWSA-N 0 3 277.364 2.950 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1noc2c1COCC2 ZINC000930918453 618333906 /nfs/dbraw/zinc/33/39/06/618333906.db2.gz AHKUKFWSAZQVJT-TZMCWYRMSA-N 0 3 276.380 2.972 20 30 CFEDHN C=C(Br)CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000162546087 618375203 /nfs/dbraw/zinc/37/52/03/618375203.db2.gz NYWURWLVWBDBAU-MXWKQRLJSA-N 0 3 274.202 2.688 20 30 CFEDHN C#CCCN(CCOC)Cc1c(C)cc(C#N)cc1C ZINC000931070549 618402889 /nfs/dbraw/zinc/40/28/89/618402889.db2.gz HAZGUHUVLNPPAV-UHFFFAOYSA-N 0 3 270.376 2.647 20 30 CFEDHN C[C@H]([NH2+][C@H]1CCCN([O-])C1=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000895159815 618406684 /nfs/dbraw/zinc/40/66/84/618406684.db2.gz IMVZKKMRVKQWHU-SUNKGSAMSA-N 0 3 296.798 2.802 20 30 CFEDHN O=C1[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)CCCN1[O-] ZINC000895162070 618409259 /nfs/dbraw/zinc/40/92/59/618409259.db2.gz WCRDVNWCMQQUNW-UBHUBRDASA-N 0 3 294.782 2.556 20 30 CFEDHN COc1cc(CNC[C@H]2CC2(Cl)Cl)ccc1C#N ZINC000877539657 618416376 /nfs/dbraw/zinc/41/63/76/618416376.db2.gz QQTVTCWHPXDLDM-LLVKDONJSA-N 0 3 285.174 2.850 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001024671453 618437232 /nfs/dbraw/zinc/43/72/32/618437232.db2.gz DOYAGALRKYYDMW-AWEZNQCLSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCCCCC[C@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895178328 618438805 /nfs/dbraw/zinc/43/88/05/618438805.db2.gz ZFKXGLSZQQXQLJ-RYUDHWBXSA-N 0 3 266.389 2.696 20 30 CFEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1nccs1 ZINC001024726363 618455313 /nfs/dbraw/zinc/45/53/13/618455313.db2.gz RKKVLWZVMPDQOF-ZDUSSCGKSA-N 0 3 293.436 2.694 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024771174 618466133 /nfs/dbraw/zinc/46/61/33/618466133.db2.gz DQWNKWLAQUNTEU-ULQDDVLXSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CC1(O)CCN(Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000895386307 618562694 /nfs/dbraw/zinc/56/26/94/618562694.db2.gz XGHMMESBJHGGIW-UHFFFAOYSA-N 0 3 287.403 2.824 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000892559048 618633053 /nfs/dbraw/zinc/63/30/53/618633053.db2.gz IAMDOIVRPCXWOH-JTQLQIEISA-N 0 3 294.380 2.814 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)C1 ZINC001018022299 618683951 /nfs/dbraw/zinc/68/39/51/618683951.db2.gz GJXNQIUSTULGNJ-QXSJWSMHSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(CNC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC000935985635 618727020 /nfs/dbraw/zinc/72/70/20/618727020.db2.gz MLLZREBNVDBUHL-MRXNPFEDSA-N 0 3 272.392 2.689 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000852098017 618761710 /nfs/dbraw/zinc/76/17/10/618761710.db2.gz CJFNGKXIMGQJCB-CQSZACIVSA-N 0 3 298.839 2.751 20 30 CFEDHN C[C@@]1(Br)C[C@H]1CNCc1ccc(C#N)cc1F ZINC000892909991 618768128 /nfs/dbraw/zinc/76/81/28/618768128.db2.gz BSBBURLOYYBETI-WCQYABFASA-N 0 3 297.171 2.960 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cc(N(C)C)ccn1 ZINC000926881308 618784102 /nfs/dbraw/zinc/78/41/02/618784102.db2.gz AFHDKYXEHYQSIV-GFCCVEGCSA-N 0 3 260.385 2.566 20 30 CFEDHN C=C[C@@H](C)NCc1cnc(CC(F)(F)F)s1 ZINC000893114988 618836127 /nfs/dbraw/zinc/83/61/27/618836127.db2.gz ZIRDWICFQNGDEZ-SSDOTTSWSA-N 0 3 250.289 2.912 20 30 CFEDHN COc1ccc2c(c1)OC[C@@H](NCC#Cc1ccccc1)C2 ZINC000893266056 618916699 /nfs/dbraw/zinc/91/66/99/618916699.db2.gz OUIVKWMPPOPUHI-KRWDZBQOSA-N 0 3 293.366 2.640 20 30 CFEDHN C=CCOCCNCc1cnc(CC(F)(F)F)s1 ZINC000893475042 619012000 /nfs/dbraw/zinc/01/20/00/619012000.db2.gz HQLYOCDCBKKLCO-UHFFFAOYSA-N 0 3 280.315 2.540 20 30 CFEDHN Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848458 619107177 /nfs/dbraw/zinc/10/71/77/619107177.db2.gz XLMFOZLEWXXHAB-JKSUJKDBSA-N 0 3 299.418 2.750 20 30 CFEDHN CO[C@@](C)(C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000106983761 619127231 /nfs/dbraw/zinc/12/72/31/619127231.db2.gz BMFSKGOWFILHTK-WMLDXEAASA-N 0 3 280.327 2.820 20 30 CFEDHN COC[C@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC000893643336 619139289 /nfs/dbraw/zinc/13/92/89/619139289.db2.gz SZCWSFUTMUYLJI-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H](C)[C@H]1CC1(F)F ZINC000840966001 619167756 /nfs/dbraw/zinc/16/77/56/619167756.db2.gz LICIOWSANQKLEQ-WCQYABFASA-N 0 3 265.303 2.832 20 30 CFEDHN C=CCCC(=O)N(CCc1ccccc1)CCN(C)C ZINC000726502275 619249912 /nfs/dbraw/zinc/24/99/12/619249912.db2.gz KIMLHRFFRMPZKN-UHFFFAOYSA-N 0 3 274.408 2.586 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccsc1C(=O)OC ZINC000894217607 619268463 /nfs/dbraw/zinc/26/84/63/619268463.db2.gz BAEAAYHXEGVMEE-DGCLKSJQSA-N 0 3 295.404 2.606 20 30 CFEDHN C=CC[C@H](CC)NCc1cn(Cc2ccccc2)nn1 ZINC000894232863 619273376 /nfs/dbraw/zinc/27/33/76/619273376.db2.gz LJKUXQOOQZWJIF-HNNXBMFYSA-N 0 3 270.380 2.771 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](OCC)[C@@H]2OC)cc1 ZINC000894388799 619363536 /nfs/dbraw/zinc/36/35/36/619363536.db2.gz HNHQMWGQDXJPHO-GVDBMIGSSA-N 0 3 291.391 2.533 20 30 CFEDHN CNC(=O)CC[C@H]1CCCCN1Cc1csc(C#N)c1 ZINC000894432001 619382978 /nfs/dbraw/zinc/38/29/78/619382978.db2.gz MLOLYIQYLMWWQT-CYBMUJFWSA-N 0 3 291.420 2.500 20 30 CFEDHN C=C(C)CCNCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000894712124 619447175 /nfs/dbraw/zinc/44/71/75/619447175.db2.gz OYYJXGYNORZHAH-UHFFFAOYSA-N 0 3 294.399 2.823 20 30 CFEDHN C#C[C@H](NCc1cnc2onc(C)c2c1)C(C)(C)C ZINC000894785637 619467137 /nfs/dbraw/zinc/46/71/37/619467137.db2.gz XKMRUVDKRHWUOO-ZDUSSCGKSA-N 0 3 257.337 2.669 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCN(C)C(C)(C)C2)cc1 ZINC000895564453 619555962 /nfs/dbraw/zinc/55/59/62/619555962.db2.gz GAYCBPODAUIUFR-CQSZACIVSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCc1cc(CN2CC[C@H](CF)C2)cc(OC)c1O ZINC000895574770 619557944 /nfs/dbraw/zinc/55/79/44/619557944.db2.gz ZOKIHQXESDNOBU-GFCCVEGCSA-N 0 3 279.355 2.921 20 30 CFEDHN C#CCC1(O)CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000895669956 619582373 /nfs/dbraw/zinc/58/23/73/619582373.db2.gz MQQFZZBZGVWYNQ-ARJAWSKDSA-N 0 3 273.351 2.689 20 30 CFEDHN C=C1CCC(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000895731067 619593134 /nfs/dbraw/zinc/59/31/34/619593134.db2.gz VCNPKALVGKXETL-UHFFFAOYSA-N 0 3 264.413 2.581 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1cn(C)nc1C1CC1 ZINC000895785507 619606318 /nfs/dbraw/zinc/60/63/18/619606318.db2.gz HXAUMMRSEKYAGB-UHFFFAOYSA-N 0 3 294.402 2.844 20 30 CFEDHN C#CCN1CCC(Nc2cc(C(C)(C)C)ccn2)CC1 ZINC000895812025 619613265 /nfs/dbraw/zinc/61/32/65/619613265.db2.gz YXJDHKFCDCQSTC-UHFFFAOYSA-N 0 3 271.408 2.889 20 30 CFEDHN C=CCC1(O)CCN(Cc2c(C)cc(OC)nc2C)CC1 ZINC000895835745 619620261 /nfs/dbraw/zinc/62/02/61/619620261.db2.gz NNHFJCUAUDHMCR-UHFFFAOYSA-N 0 3 290.407 2.610 20 30 CFEDHN C=CCC1(O)CCN(Cc2cccc3c2OCC3)CC1 ZINC000896058612 619663379 /nfs/dbraw/zinc/66/33/79/619663379.db2.gz ORYWWINHDADQJK-UHFFFAOYSA-N 0 3 273.376 2.525 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1sccc1Br ZINC000883400211 619722416 /nfs/dbraw/zinc/72/24/16/619722416.db2.gz GUYOZVSNUXPESX-SECBINFHSA-N 0 3 290.226 2.927 20 30 CFEDHN C=CCOc1ccc(CN2CCO[C@@H](C)CC2)cc1 ZINC000896583756 619766734 /nfs/dbraw/zinc/76/67/34/619766734.db2.gz GIWDPQJPZKOBPC-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897331465 619997435 /nfs/dbraw/zinc/99/74/35/619997435.db2.gz OLAAHSZDNQMONB-MRXNPFEDSA-N 0 3 290.407 2.769 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000989096644 620231073 /nfs/dbraw/zinc/23/10/73/620231073.db2.gz YOHPGJCWAUMYCL-MAUKXSAKSA-N 0 3 298.430 2.565 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CC2(C)CCCCC2)C1 ZINC000989151242 620234466 /nfs/dbraw/zinc/23/44/66/620234466.db2.gz XCMMLIJBKJVDTC-LSDHHAIUSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2csc3ccccc23)C1 ZINC000989258436 620241175 /nfs/dbraw/zinc/24/11/75/620241175.db2.gz HKXFLBXBWNKSCD-CHWSQXEVSA-N 0 3 298.411 2.727 20 30 CFEDHN C[C@H](CCc1cccnc1)NCc1nc(C#N)cs1 ZINC000897626063 620262776 /nfs/dbraw/zinc/26/27/76/620262776.db2.gz LOIRELFEPMWSFO-LLVKDONJSA-N 0 3 272.377 2.521 20 30 CFEDHN COCCCC1(CNCc2nc(C#N)cs2)CCC1 ZINC000897626787 620263588 /nfs/dbraw/zinc/26/35/88/620263588.db2.gz WAZZFBOWJPZBOX-UHFFFAOYSA-N 0 3 279.409 2.701 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCOC23CCCCC3)n1 ZINC000897727050 620274761 /nfs/dbraw/zinc/27/47/61/620274761.db2.gz GMKWQLNTOYVCFP-OAHLLOKOSA-N 0 3 271.364 2.535 20 30 CFEDHN C#Cc1ccc(C(=O)N(CCC)CCN2CCCC2)cc1 ZINC000897735099 620280892 /nfs/dbraw/zinc/28/08/92/620280892.db2.gz LZPCNDDEIPTDJE-UHFFFAOYSA-N 0 3 284.403 2.616 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCSC(C)(C)C2)nn1 ZINC000897794014 620285874 /nfs/dbraw/zinc/28/58/74/620285874.db2.gz QYJJURLXKBIDKS-GFCCVEGCSA-N 0 3 280.441 2.618 20 30 CFEDHN C=C(C)CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897898614 620300663 /nfs/dbraw/zinc/30/06/63/620300663.db2.gz ODLMBQPXBBVHLH-INIZCTEOSA-N 0 3 290.407 2.817 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2CCCCCC2)C1 ZINC000989493830 620379186 /nfs/dbraw/zinc/37/91/86/620379186.db2.gz WSLZVMKIARSYAY-GDBMZVCRSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000989681132 620385775 /nfs/dbraw/zinc/38/57/75/620385775.db2.gz WVYOXXOXDBUUSM-KBXCAEBGSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2sccc2C(F)F)C1 ZINC000989734293 620388284 /nfs/dbraw/zinc/38/82/84/620388284.db2.gz SOCZTWDYXCSFQJ-NXEZZACHSA-N 0 3 298.358 2.512 20 30 CFEDHN CCC(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC000989867258 620396286 /nfs/dbraw/zinc/39/62/86/620396286.db2.gz ORJZHQTVSHTWLK-WMZOPIPTSA-N 0 3 297.402 2.581 20 30 CFEDHN CC(C)CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989872281 620397244 /nfs/dbraw/zinc/39/72/44/620397244.db2.gz LPNKQQRSCRFWCO-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(Cl)o3)CCC[C@@H]12 ZINC000989958151 620406840 /nfs/dbraw/zinc/40/68/40/620406840.db2.gz QIPWFPUVSUCJFZ-DOMZBBRYSA-N 0 3 294.782 2.846 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)CC3=CCCCC3)CCC[C@H]12 ZINC000990060057 620408126 /nfs/dbraw/zinc/40/81/26/620408126.db2.gz ZICROSLISXDLQV-FUHWJXTLSA-N 0 3 286.419 2.623 20 30 CFEDHN N#Cc1ccc(CNCCOC2CCSCC2)cc1F ZINC000898440359 620463185 /nfs/dbraw/zinc/46/31/85/620463185.db2.gz KLAJDYKYJRDBSR-UHFFFAOYSA-N 0 3 294.395 2.699 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cn(C)cn2)c([O-])c1 ZINC000899233039 620534565 /nfs/dbraw/zinc/53/45/65/620534565.db2.gz ZTLMZFVSBNNBTO-RQZCQDPDSA-N 0 3 286.379 2.591 20 30 CFEDHN C#CCN(C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000071088593 625450419 /nfs/dbraw/zinc/45/04/19/625450419.db2.gz QUPMUOHEMGXOAX-QGZVFWFLSA-N 0 3 297.398 2.923 20 30 CFEDHN CC(C)N(CCO[C@H](C)C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000801915451 621098804 /nfs/dbraw/zinc/09/88/04/621098804.db2.gz LMNVOZYEUQRHPO-CYBMUJFWSA-N 0 3 291.351 2.734 20 30 CFEDHN C=CCCCN(CC)CN1C[C@@H](c2ccccn2)CC1=O ZINC000902670016 621148221 /nfs/dbraw/zinc/14/82/21/621148221.db2.gz WZOKSYZVZUHZCV-HNNXBMFYSA-N 0 3 287.407 2.643 20 30 CFEDHN C[C@@H](NCCOc1ccccc1)c1cc(C#N)ccn1 ZINC000902725103 621158466 /nfs/dbraw/zinc/15/84/66/621158466.db2.gz PKMGKUANDXNDGV-CYBMUJFWSA-N 0 3 267.332 2.683 20 30 CFEDHN C[C@@H](NCCc1ccsc1)c1cc(C#N)ccn1 ZINC000902732792 621160267 /nfs/dbraw/zinc/16/02/67/621160267.db2.gz JUOLRGPUPFAUOJ-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000902777002 621171060 /nfs/dbraw/zinc/17/10/60/621171060.db2.gz QLGGYSUOUMXWCW-WFASDCNBSA-N 0 3 287.407 2.902 20 30 CFEDHN C=CCC[C@H](NCc1cc[nH]n1)[C@]1(C)CCCCO1 ZINC000902796917 621179504 /nfs/dbraw/zinc/17/95/04/621179504.db2.gz WIBLWGCBKRLMJJ-GJZGRUSLSA-N 0 3 263.385 2.793 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccco1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902846864 621190241 /nfs/dbraw/zinc/19/02/41/621190241.db2.gz AQZYTWPCPBELDK-TYNCELHUSA-N 0 3 285.347 2.709 20 30 CFEDHN CC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1cccc(C#N)c1 ZINC000902869318 621192415 /nfs/dbraw/zinc/19/24/15/621192415.db2.gz UTQKDNNIERDSFD-JKSUJKDBSA-N 0 3 285.391 2.608 20 30 CFEDHN Cc1cccc([C@@H](O)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902882847 621198516 /nfs/dbraw/zinc/19/85/16/621198516.db2.gz ZWGRXSRXRXESAH-GUYCJALGSA-N 0 3 281.359 2.646 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902885033 621199065 /nfs/dbraw/zinc/19/90/65/621199065.db2.gz SJTFDLCCQXXMKI-DEYYWGMASA-N 0 3 295.386 2.596 20 30 CFEDHN CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(C#N)c1 ZINC000902890302 621200623 /nfs/dbraw/zinc/20/06/23/621200623.db2.gz ZJUBKRBRZWOWMN-QWHCGFSZSA-N 0 3 286.297 2.912 20 30 CFEDHN CCC(O)(CC)CCN[C@H](C)c1cc(C#N)ccn1 ZINC000902970341 621213818 /nfs/dbraw/zinc/21/38/18/621213818.db2.gz LXEPGLOJXNTVPW-GFCCVEGCSA-N 0 3 261.369 2.545 20 30 CFEDHN CC[C@H](NCc1cncn1C)c1cccc(C#N)c1 ZINC000902992516 621218916 /nfs/dbraw/zinc/21/89/16/621218916.db2.gz LFEACENDDZBAQL-HNNXBMFYSA-N 0 3 254.337 2.533 20 30 CFEDHN CCOC1(CN[C@H](C)c2cc(C#N)ccn2)CCCC1 ZINC000903000535 621225203 /nfs/dbraw/zinc/22/52/03/621225203.db2.gz LDSBIQHGGOXTEE-CYBMUJFWSA-N 0 3 273.380 2.953 20 30 CFEDHN Cc1cccc2c1C[C@@H](N[C@H](C)c1cc(C#N)ccn1)CO2 ZINC000903063790 621238234 /nfs/dbraw/zinc/23/82/34/621238234.db2.gz IHSQEWVPKAHSFF-UKRRQHHQSA-N 0 3 293.370 2.916 20 30 CFEDHN Cc1cccc2c1C[C@H](N[C@H](C)c1cc(C#N)ccn1)CO2 ZINC000903063789 621238282 /nfs/dbraw/zinc/23/82/82/621238282.db2.gz IHSQEWVPKAHSFF-HIFRSBDPSA-N 0 3 293.370 2.916 20 30 CFEDHN CC[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(C#N)c1 ZINC000903043984 621240037 /nfs/dbraw/zinc/24/00/37/621240037.db2.gz IHHIEJVWJLDCDQ-HZPDHXFCSA-N 0 3 299.374 2.582 20 30 CFEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCCC2)cn1 ZINC000903109802 621256413 /nfs/dbraw/zinc/25/64/13/621256413.db2.gz VSWMTNSINLWZCP-CYBMUJFWSA-N 0 3 273.380 2.695 20 30 CFEDHN CC1(C)[C@H](NCC2(C#N)CCCC2)[C@@H]2CCCO[C@@H]21 ZINC000903109264 621256823 /nfs/dbraw/zinc/25/68/23/621256823.db2.gz LRHZPHYJDREINY-MJBXVCDLSA-N 0 3 262.397 2.864 20 30 CFEDHN C[C@@H](N[C@H](CO)CCc1ccccc1)c1cc(C#N)ccn1 ZINC000903288051 621319042 /nfs/dbraw/zinc/31/90/42/621319042.db2.gz JPDLAAHCOSMLGG-PBHICJAKSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@H](NC[C@@](C)(O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903309597 621326851 /nfs/dbraw/zinc/32/68/51/621326851.db2.gz VWGJOELIEGMDFG-YVEFUNNKSA-N 0 3 299.349 2.651 20 30 CFEDHN N#Cc1cccc(-c2nc(C(F)(F)F)n3c2CNCC3)c1 ZINC000904767078 621641895 /nfs/dbraw/zinc/64/18/95/621641895.db2.gz RKWLNTBAWCLLDO-UHFFFAOYSA-N 0 3 292.264 2.544 20 30 CFEDHN CN(C)Cc1ccc(-c2ccc(OCC#N)cn2)s1 ZINC000904857846 621652535 /nfs/dbraw/zinc/65/25/35/621652535.db2.gz DTYJJGFBUOVCLP-UHFFFAOYSA-N 0 3 273.361 2.774 20 30 CFEDHN CC1/C(=C/c2ccc3c(c2)CCCC3)C(=O)c2ncnn21 ZINC000905087793 621693227 /nfs/dbraw/zinc/69/32/27/621693227.db2.gz ZOXGFSJVBWRYBN-PDICVPPASA-N 0 3 279.343 2.998 20 30 CFEDHN Cc1cc(C#N)cc(C)c1Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000905827372 621878813 /nfs/dbraw/zinc/87/88/13/621878813.db2.gz IWDHSYRUQDIFAD-INIZCTEOSA-N 0 3 297.406 2.861 20 30 CFEDHN C[C@H](NC(=O)C(C)(C)N1CCCCC1)c1ccc(C#N)cc1 ZINC000905966680 621906873 /nfs/dbraw/zinc/90/68/73/621906873.db2.gz QGFXHBCJMYIJIC-AWEZNQCLSA-N 0 3 299.418 3.000 20 30 CFEDHN C=CCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC000907447069 622129279 /nfs/dbraw/zinc/12/92/79/622129279.db2.gz RTZUMRIUJOTQKZ-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C)c(C#N)c(C)c1 ZINC000907930889 622172042 /nfs/dbraw/zinc/17/20/42/622172042.db2.gz QLNNVIBGVTZJOH-MRXNPFEDSA-N 0 3 299.418 2.731 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)NCc1ccccc1 ZINC000924829027 622406271 /nfs/dbraw/zinc/40/62/71/622406271.db2.gz QVQKGCBXLZNRTM-ZIAGYGMSSA-N 0 3 287.407 2.609 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000911288205 622517310 /nfs/dbraw/zinc/51/73/10/622517310.db2.gz LQVPILPTBMMSIH-SWLSCSKDSA-N 0 3 296.374 2.713 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccc(N)nc1 ZINC000911751712 622547056 /nfs/dbraw/zinc/54/70/56/622547056.db2.gz CCWJOQZRLFQRLK-CYBMUJFWSA-N 0 3 278.400 2.680 20 30 CFEDHN Cc1c(Cl)cccc1N=NC1CCN(CCO)CC1 ZINC000819806224 622560208 /nfs/dbraw/zinc/56/02/08/622560208.db2.gz MQQFSYVHGUTVGH-UHFFFAOYSA-N 0 3 281.787 2.504 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1 ZINC000911905055 622579399 /nfs/dbraw/zinc/57/93/99/622579399.db2.gz XKTMZSRNCNAVCZ-LBPRGKRZSA-N 0 3 252.745 2.962 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000911951050 622587787 /nfs/dbraw/zinc/58/77/87/622587787.db2.gz GECHEFSTLYSDNA-GFCCVEGCSA-N 0 3 282.771 2.971 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccccc1OCC ZINC000911952482 622589132 /nfs/dbraw/zinc/58/91/32/622589132.db2.gz QOBAZJSTBZMIOW-LBPRGKRZSA-N 0 3 262.353 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000911931049 622590895 /nfs/dbraw/zinc/59/08/95/622590895.db2.gz JZLYWXFFBYMLNL-HOCLYGCPSA-N 0 3 274.408 2.808 20 30 CFEDHN CCCCCCCCC(=O)N(CCO)C1CCN(C)CC1 ZINC000911934726 622591967 /nfs/dbraw/zinc/59/19/67/622591967.db2.gz DSGUKJFFVWQSNG-UHFFFAOYSA-N 0 3 298.471 2.652 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991363065 622606088 /nfs/dbraw/zinc/60/60/88/622606088.db2.gz VHFRSOOEVWJLAF-YXJHDRRASA-N 0 3 288.435 2.559 20 30 CFEDHN CC[C@H](C)N[C@H](CNc1ccnc(C#N)c1)c1ccco1 ZINC000912151496 622651180 /nfs/dbraw/zinc/65/11/80/622651180.db2.gz YFRXXYJUQFYTEB-SWLSCSKDSA-N 0 3 284.363 2.509 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1CCC(C)C ZINC000912153644 622653022 /nfs/dbraw/zinc/65/30/22/622653022.db2.gz SBEPASVXBQIEDZ-ZDUSSCGKSA-N 0 3 278.400 2.551 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000912171455 622655616 /nfs/dbraw/zinc/65/56/16/622655616.db2.gz XCIJSFYVEUFTRU-CVEARBPZSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000912256618 622666176 /nfs/dbraw/zinc/66/61/76/622666176.db2.gz COOGXIYIDBHWQW-INIZCTEOSA-N 0 3 290.407 2.774 20 30 CFEDHN C[C@H](C#N)N(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000912410631 622709001 /nfs/dbraw/zinc/70/90/01/622709001.db2.gz FXRPTNTXKZCEON-GFCCVEGCSA-N 0 3 296.374 2.807 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000912440332 622711223 /nfs/dbraw/zinc/71/12/23/622711223.db2.gz GJPXRUKURHIEIC-ZBFHGGJFSA-N 0 3 290.407 2.562 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000912485992 622729465 /nfs/dbraw/zinc/72/94/65/622729465.db2.gz AOVMKKHSSLLDIO-SMDDNHRTSA-N 0 3 294.370 2.695 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC000820687948 622737623 /nfs/dbraw/zinc/73/76/23/622737623.db2.gz FSPPJLWTCFNFCD-QGZVFWFLSA-N 0 3 276.424 2.584 20 30 CFEDHN C[C@@]1(C#N)CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912707123 622764249 /nfs/dbraw/zinc/76/42/49/622764249.db2.gz KGUSHHLRHOEOQC-KRWDZBQOSA-N 0 3 296.374 2.667 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000820825104 622767484 /nfs/dbraw/zinc/76/74/84/622767484.db2.gz XVAAPXNPYBEDHQ-GFCCVEGCSA-N 0 3 266.772 2.905 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000820874684 622779993 /nfs/dbraw/zinc/77/99/93/622779993.db2.gz RUIVXKDMHYZXSC-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CC[C@@H]1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912986210 622813090 /nfs/dbraw/zinc/81/30/90/622813090.db2.gz VDEKGQYOIIQOKE-CQSZACIVSA-N 0 3 295.386 2.776 20 30 CFEDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCCC#N ZINC000913098146 622836096 /nfs/dbraw/zinc/83/60/96/622836096.db2.gz ZCHHOBAVXTXOPG-NVXWUHKLSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991498859 622945775 /nfs/dbraw/zinc/94/57/75/622945775.db2.gz CEUVKHHZEKEMSW-CJNGLKHVSA-N 0 3 280.387 2.568 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991502437 622948981 /nfs/dbraw/zinc/94/89/81/622948981.db2.gz KRHSHAVVJVBDPK-PBHICJAKSA-N 0 3 294.414 2.958 20 30 CFEDHN C#C[C@H](C)NCc1ccc(C)c(Br)c1 ZINC000164765841 622967975 /nfs/dbraw/zinc/96/79/75/622967975.db2.gz WTRWGTXTFLIMEB-JTQLQIEISA-N 0 3 252.155 2.869 20 30 CFEDHN C#CCSCCNCc1cccc(Cl)c1F ZINC000165969513 622998922 /nfs/dbraw/zinc/99/89/22/622998922.db2.gz OLXSVUGAMVBVOS-UHFFFAOYSA-N 0 3 257.761 2.935 20 30 CFEDHN N#CC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057872548 623018274 /nfs/dbraw/zinc/01/82/74/623018274.db2.gz CUCWJSZWXVKBMX-UHFFFAOYSA-N 0 3 289.335 2.599 20 30 CFEDHN N#CC(C(=O)C1CCCC1)c1nc2ccccc2[nH]1 ZINC000046440757 623074802 /nfs/dbraw/zinc/07/48/02/623074802.db2.gz DFFAURZTPCHQQI-LLVKDONJSA-N 0 3 253.305 2.929 20 30 CFEDHN CC(C)(C)OC(=O)NC1CCC(NCC(C)(C)C#N)CC1 ZINC000168928048 623109948 /nfs/dbraw/zinc/10/99/48/623109948.db2.gz RDWNQQKJPCMWCV-UHFFFAOYSA-N 0 3 295.427 2.962 20 30 CFEDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1[O-] ZINC000822498540 623116191 /nfs/dbraw/zinc/11/61/91/623116191.db2.gz ZPLNEKVMGLMWLH-JOYOIKCWSA-N 0 3 280.755 2.836 20 30 CFEDHN C#C[C@H](C)NCc1cc(Br)c(C)s1 ZINC000227856050 623121928 /nfs/dbraw/zinc/12/19/28/623121928.db2.gz UOBIGYDFSWBBHD-ZETCQYMHSA-N 0 3 258.184 2.930 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@@H]12 ZINC000991862198 623189133 /nfs/dbraw/zinc/18/91/33/623189133.db2.gz QCICWVUQBDVNRE-AEFFLSMTSA-N 0 3 299.418 2.611 20 30 CFEDHN C#CCOc1ccccc1CNCc1cc(OC)ccc1O ZINC000172015591 623252936 /nfs/dbraw/zinc/25/29/36/623252936.db2.gz FBKQQOCMFDYHQP-UHFFFAOYSA-N 0 3 297.354 2.703 20 30 CFEDHN C[C@@H]1CCCN(CCCC#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000081518341 625639561 /nfs/dbraw/zinc/63/95/61/625639561.db2.gz MVLXZMAZIBULCC-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173959706 623376833 /nfs/dbraw/zinc/37/68/33/623376833.db2.gz NFGGEXDCQNEPLF-FZMZJTMJSA-N 0 3 288.347 2.779 20 30 CFEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173936504 623378118 /nfs/dbraw/zinc/37/81/18/623378118.db2.gz WSQLGKQRNGMAPG-UONOGXRCSA-N 0 3 278.396 2.924 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992133779 623464567 /nfs/dbraw/zinc/46/45/67/623464567.db2.gz RJTQGGSANMPSTG-GOEBONIOSA-N 0 3 274.364 2.501 20 30 CFEDHN C#C[C@H](CC)NCc1ccc2c(c1)OCCCCO2 ZINC000824364164 623495825 /nfs/dbraw/zinc/49/58/25/623495825.db2.gz UZBIPAOOYNFXPK-CQSZACIVSA-N 0 3 259.349 2.739 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001015136622 623520291 /nfs/dbraw/zinc/52/02/91/623520291.db2.gz DAPSAPMNKBKUFW-CQSZACIVSA-N 0 3 297.402 2.559 20 30 CFEDHN CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c([O-])c1 ZINC000824683312 623544712 /nfs/dbraw/zinc/54/47/12/623544712.db2.gz DOIRRYSPOLLZCC-JSGCOSHPSA-N 0 3 274.364 2.963 20 30 CFEDHN COC(=O)C1(C#N)CCN(C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000824872235 623582056 /nfs/dbraw/zinc/58/20/56/623582056.db2.gz PUMWLDBEMWPOBZ-ZIAGYGMSSA-N 0 3 278.396 2.591 20 30 CFEDHN Cc1ccncc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000824909366 623586362 /nfs/dbraw/zinc/58/63/62/623586362.db2.gz LFTIBRVKWDWAFI-AWEZNQCLSA-N 0 3 281.359 2.971 20 30 CFEDHN C=C(CC)CNCc1cc(OC)ccc1OCOC ZINC000825221017 623651243 /nfs/dbraw/zinc/65/12/43/623651243.db2.gz DHTIUPKKCSLDIS-UHFFFAOYSA-N 0 3 265.353 2.734 20 30 CFEDHN C=CCCC(C)(C)NC(=O)[C@@H]1CCCN1C(C)C ZINC000826656049 623832148 /nfs/dbraw/zinc/83/21/48/623832148.db2.gz XMGPWAVNKAHAGW-ZDUSSCGKSA-N 0 3 252.402 2.720 20 30 CFEDHN C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993065515 623882373 /nfs/dbraw/zinc/88/23/73/623882373.db2.gz HRMGUXYZFYBGJL-HIFRSBDPSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993065515 623882386 /nfs/dbraw/zinc/88/23/86/623882386.db2.gz HRMGUXYZFYBGJL-HIFRSBDPSA-N 0 3 288.391 2.551 20 30 CFEDHN CC(C)(C)OC(=O)NC(C)(C)CN1CCC[C@@H](CC#N)C1 ZINC000826861967 623896822 /nfs/dbraw/zinc/89/68/22/623896822.db2.gz PMKPYIRZQDETQQ-ZDUSSCGKSA-N 0 3 295.427 2.915 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cnccc2C)[C@H]1C ZINC000993171095 623975483 /nfs/dbraw/zinc/97/54/83/623975483.db2.gz ZTXJHPZOGZKHHI-ZBFHGGJFSA-N 0 3 287.407 2.549 20 30 CFEDHN C#C[C@@H](NCc1cc(Cl)cs1)C1CCOCC1 ZINC000827561008 624032080 /nfs/dbraw/zinc/03/20/80/624032080.db2.gz WVHUMNXXZYVZRA-CYBMUJFWSA-N 0 3 269.797 2.920 20 30 CFEDHN C#C[C@H](NCc1cnc(Cl)c(C)c1)C1CCOCC1 ZINC000827564714 624033403 /nfs/dbraw/zinc/03/34/03/624033403.db2.gz FLORWUDTACLUCR-AWEZNQCLSA-N 0 3 278.783 2.561 20 30 CFEDHN C#C[C@@H](NCc1cc(C)ccc1F)C1CCOCC1 ZINC000827566460 624035217 /nfs/dbraw/zinc/03/52/17/624035217.db2.gz VPDFFAOBERSVAG-MRXNPFEDSA-N 0 3 261.340 2.652 20 30 CFEDHN C#C[C@@H](NCc1cc2ccccc2o1)C1CCOCC1 ZINC000827570869 624036682 /nfs/dbraw/zinc/03/66/82/624036682.db2.gz SSUHPCHOHYTBKR-MRXNPFEDSA-N 0 3 269.344 2.951 20 30 CFEDHN Cc1ccc(NC(=O)C#CC(C)C)c(CN(C)C)c1 ZINC000827727529 624078270 /nfs/dbraw/zinc/07/82/70/624078270.db2.gz CWHQFTXMQVLBFH-UHFFFAOYSA-N 0 3 258.365 2.655 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OCC=C)cc1 ZINC000827818938 624100912 /nfs/dbraw/zinc/10/09/12/624100912.db2.gz XCCMZMQBYYWZDZ-UHFFFAOYSA-N 0 3 273.376 2.723 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000993487515 624149615 /nfs/dbraw/zinc/14/96/15/624149615.db2.gz NZWBITNGHGCSSK-LSDHHAIUSA-N 0 3 289.423 2.790 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CCCCC2)[C@@H]1C ZINC000993738472 624163664 /nfs/dbraw/zinc/16/36/64/624163664.db2.gz CYIKOXQLVJBILS-JKSUJKDBSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993820243 624169656 /nfs/dbraw/zinc/16/96/56/624169656.db2.gz JUEDXAGBAQUTIW-CRAIPNDOSA-N 0 3 296.414 2.936 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993983876 624177012 /nfs/dbraw/zinc/17/70/12/624177012.db2.gz GVBAFWRMHUJKCW-ZFWWWQNUSA-N 0 3 290.432 2.663 20 30 CFEDHN C(/C=C\c1ccccc1)=NNCCN1CCCCC1 ZINC000915973275 624198869 /nfs/dbraw/zinc/19/88/69/624198869.db2.gz DYAIXVVCUNALCX-RCNMVENNSA-N 0 3 257.381 2.761 20 30 CFEDHN C#CCCN1CCN(CC/C=C/c2ccccc2)CC1 ZINC000828519393 624261068 /nfs/dbraw/zinc/26/10/68/624261068.db2.gz OVDCRPFPLBJKNS-YRNVUSSQSA-N 0 3 268.404 2.731 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994271340 624267613 /nfs/dbraw/zinc/26/76/13/624267613.db2.gz BNRIAYIZSVTHGS-DOTOQJQBSA-N 0 3 284.403 2.601 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994358347 624278500 /nfs/dbraw/zinc/27/85/00/624278500.db2.gz ZZVIZKJMKUENMI-SJLPKXTDSA-N 0 3 298.430 2.909 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC000994500309 624315801 /nfs/dbraw/zinc/31/58/01/624315801.db2.gz QZHSILLPNHSXTK-HIFRSBDPSA-N 0 3 292.448 2.754 20 30 CFEDHN CCOCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000917509870 624350223 /nfs/dbraw/zinc/35/02/23/624350223.db2.gz GECXUPWMBUDLPO-NSHDSACASA-N 0 3 272.304 2.821 20 30 CFEDHN CCC#C[C@@H](C)N(C)C[C@]1(O)CCc2ccccc21 ZINC000829365503 624424809 /nfs/dbraw/zinc/42/48/09/624424809.db2.gz HESOATPQPLEKAQ-RHSMWYFYSA-N 0 3 257.377 2.554 20 30 CFEDHN C=CCN(Cc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000918740187 624484899 /nfs/dbraw/zinc/48/48/99/624484899.db2.gz YMNZKRDKIPZRAU-UHFFFAOYSA-N 0 3 260.381 2.785 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000829769596 624528873 /nfs/dbraw/zinc/52/88/73/624528873.db2.gz XKQYCTGPOFKAIY-DLBZAZTESA-N 0 3 298.430 2.941 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000829769602 624529156 /nfs/dbraw/zinc/52/91/56/624529156.db2.gz XKQYCTGPOFKAIY-IAGOWNOFSA-N 0 3 298.430 2.941 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000829773108 624529199 /nfs/dbraw/zinc/52/91/99/624529199.db2.gz ARRDVTYNYGGCHJ-IAGOWNOFSA-N 0 3 298.430 2.735 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000829768975 624529297 /nfs/dbraw/zinc/52/92/97/624529297.db2.gz MGTPOHUAZZMAMW-CVEARBPZSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN(CC)C[C@H](O)COc1ccc2ccccc2c1 ZINC000920094305 624674501 /nfs/dbraw/zinc/67/45/01/624674501.db2.gz CYTJZFFGRPXGAY-KRWDZBQOSA-N 0 3 283.371 2.535 20 30 CFEDHN C#CCN(CC)C[C@H](O)COc1cccc2ccccc21 ZINC000920094888 624674525 /nfs/dbraw/zinc/67/45/25/624674525.db2.gz JNUOMWXUVXKOOC-INIZCTEOSA-N 0 3 283.371 2.535 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000830305080 624704904 /nfs/dbraw/zinc/70/49/04/624704904.db2.gz FKQOZFWHRPCHPJ-CABCVRRESA-N 0 3 284.403 2.598 20 30 CFEDHN C#CC1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000830343530 624714969 /nfs/dbraw/zinc/71/49/69/624714969.db2.gz YWRSGVRQVULNFT-GFCCVEGCSA-N 0 3 275.348 2.781 20 30 CFEDHN C#CCCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000920416227 624720847 /nfs/dbraw/zinc/72/08/47/624720847.db2.gz XPSJKDQWJAHHED-HNNXBMFYSA-N 0 3 259.349 2.864 20 30 CFEDHN C#CCCN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000920417392 624720874 /nfs/dbraw/zinc/72/08/74/624720874.db2.gz DZZMAJQMRHYJSS-UHFFFAOYSA-N 0 3 269.291 2.752 20 30 CFEDHN CC[C@H](C(=O)Nc1ccc(OC)c(C#N)c1)N(CC)CC ZINC000830416627 624740044 /nfs/dbraw/zinc/74/00/44/624740044.db2.gz CMYNGZVMMNFSQK-CQSZACIVSA-N 0 3 289.379 2.626 20 30 CFEDHN C=CCN(CC=C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000831011174 624952640 /nfs/dbraw/zinc/95/26/40/624952640.db2.gz AOWSTXDQMMPOKZ-ZDUSSCGKSA-N 0 3 293.798 2.634 20 30 CFEDHN COC(=O)C1(C#N)CCN(CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000831690824 625096957 /nfs/dbraw/zinc/09/69/57/625096957.db2.gz FHCYDEPFJPYUIU-LSDHHAIUSA-N 0 3 292.423 2.982 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(Cl)s1 ZINC000831829405 625147265 /nfs/dbraw/zinc/14/72/65/625147265.db2.gz JGSCYSBHWVTNMI-ZJUUUORDSA-N 0 3 258.774 2.620 20 30 CFEDHN C#CCN(CC#C)CC1CCC(C(F)(F)F)CC1 ZINC000185514612 625734777 /nfs/dbraw/zinc/73/47/77/625734777.db2.gz UJXPRCMDSHMLPL-UHFFFAOYSA-N 0 3 257.299 2.924 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@H](C)c2ccsc21 ZINC000834760339 625839096 /nfs/dbraw/zinc/83/90/96/625839096.db2.gz IUVZCUWFHHZYSC-AAEUAGOBSA-N 0 3 299.461 2.877 20 30 CFEDHN Cc1nnc(C)n1N=C/C=C\c1ccc(N(C)C)cc1 ZINC000834930233 625926019 /nfs/dbraw/zinc/92/60/19/625926019.db2.gz BDECTDYNJDXLMN-HSTLZJKPSA-N 0 3 269.352 2.508 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2sccc2C)CC1 ZINC000997467543 625996183 /nfs/dbraw/zinc/99/61/83/625996183.db2.gz UCJAWCWNFKPVQY-ZDUSSCGKSA-N 0 3 290.432 2.520 20 30 CFEDHN CCN(C(C)=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000997899634 626018873 /nfs/dbraw/zinc/01/88/73/626018873.db2.gz NYGCTAHURUFTPO-SFHVURJKSA-N 0 3 299.418 2.781 20 30 CFEDHN CCN(C(C)=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000997899627 626018897 /nfs/dbraw/zinc/01/88/97/626018897.db2.gz NYGCTAHURUFTPO-GOSISDBHSA-N 0 3 299.418 2.781 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)CC1 ZINC000997916847 626021179 /nfs/dbraw/zinc/02/11/79/626021179.db2.gz VANJGPGEHGLJJC-DLBZAZTESA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccc(C)c2)CC1 ZINC000997931343 626023325 /nfs/dbraw/zinc/02/33/25/626023325.db2.gz YQMRTSVQJFGRKU-GOSISDBHSA-N 0 3 298.430 2.945 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@H]2CC2(C)C)CC1 ZINC000997983878 626025619 /nfs/dbraw/zinc/02/56/19/626025619.db2.gz VWHKCXCRVKRWMX-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2CCCC2)C1 ZINC000998392178 626047522 /nfs/dbraw/zinc/04/75/22/626047522.db2.gz QNKOMFMBRCSIKU-UHFFFAOYSA-N 0 3 284.831 2.898 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC000998440282 626050514 /nfs/dbraw/zinc/05/05/14/626050514.db2.gz AVYJAWCTAFTQNS-IYXRBSQSSA-N 0 3 282.815 2.674 20 30 CFEDHN Cc1cc([C@](C)(O)CNCc2csc(C#N)c2)c(C)o1 ZINC000921776748 626118558 /nfs/dbraw/zinc/11/85/58/626118558.db2.gz VSWXEPWYLWEFGL-OAHLLOKOSA-N 0 3 290.388 2.827 20 30 CFEDHN CC(C)(CCO)NCc1cc(C#N)ccc1Br ZINC000921787084 626122520 /nfs/dbraw/zinc/12/25/20/626122520.db2.gz HYLNHLDWZLTQKY-UHFFFAOYSA-N 0 3 297.196 2.571 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccsc2C)CC1 ZINC001000660794 626128692 /nfs/dbraw/zinc/12/86/92/626128692.db2.gz QBGXXJVXBNPNJI-UHFFFAOYSA-N 0 3 276.405 2.604 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001099642 626143540 /nfs/dbraw/zinc/14/35/40/626143540.db2.gz KTACCHGMTFXVDY-ZBFHGGJFSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2c(C)cccc2C)CC1 ZINC001001195054 626148585 /nfs/dbraw/zinc/14/85/85/626148585.db2.gz GOVSCZIEIWFVDD-UHFFFAOYSA-N 0 3 284.403 2.851 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(Cl)cc2)CC1 ZINC001001396190 626156155 /nfs/dbraw/zinc/15/61/55/626156155.db2.gz QUARKDDWKCXHIO-UHFFFAOYSA-N 0 3 290.794 2.888 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001001564619 626160491 /nfs/dbraw/zinc/16/04/91/626160491.db2.gz SHRVOFBKSVWRJO-IAGOWNOFSA-N 0 3 290.451 2.664 20 30 CFEDHN CC[C@H](O)CCNCc1cc(C#N)ccc1Br ZINC000921851161 626165686 /nfs/dbraw/zinc/16/56/86/626165686.db2.gz KAZBGBXFNIALDV-LBPRGKRZSA-N 0 3 297.196 2.571 20 30 CFEDHN N#CC1CCC(CNCc2nc(Br)c[nH]2)CC1 ZINC000922096443 626207649 /nfs/dbraw/zinc/20/76/49/626207649.db2.gz IDWPJXKDHIGIIA-UHFFFAOYSA-N 0 3 297.200 2.592 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000929259555 626194684 /nfs/dbraw/zinc/19/46/84/626194684.db2.gz GQPDDNAAVKXGPY-HNNXBMFYSA-N 0 3 286.375 2.582 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016345248 626202729 /nfs/dbraw/zinc/20/27/29/626202729.db2.gz GVDXMIRDPYUJBH-FJBKBRRZSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CC[C@@H](CC)NCc1csc(-c2ccn(C)n2)n1 ZINC000922091121 626206779 /nfs/dbraw/zinc/20/67/79/626206779.db2.gz ATULHVMLGFLPAU-LLVKDONJSA-N 0 3 276.409 2.988 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc3cnccc3o2)CC1 ZINC001003252089 626224144 /nfs/dbraw/zinc/22/41/44/626224144.db2.gz LVIHZJDFZWIVDS-UHFFFAOYSA-N 0 3 299.374 2.598 20 30 CFEDHN CO[C@@H]([C@@H](C)NCc1csc(C#N)c1)C1CC1 ZINC000922165801 626228446 /nfs/dbraw/zinc/22/84/46/626228446.db2.gz GXZCFLJZGWEOAN-RNCFNFMXSA-N 0 3 250.367 2.523 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922297178 626261998 /nfs/dbraw/zinc/26/19/98/626261998.db2.gz KUTYWUPCJLTUII-HAQNSBGRSA-N 0 3 295.180 2.588 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001003876762 626265141 /nfs/dbraw/zinc/26/51/41/626265141.db2.gz FQMWQDJFHDVRBN-WBVHZDCISA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(Br)CN[C@](C)(CC(=O)OCC)C(C)C ZINC000186668307 626392366 /nfs/dbraw/zinc/39/23/66/626392366.db2.gz SJSQWWCUWQXOAR-GFCCVEGCSA-N 0 3 292.217 2.853 20 30 CFEDHN COc1ccc(CNCc2ccncc2C)cc1C#N ZINC000229662250 626410863 /nfs/dbraw/zinc/41/08/63/626410863.db2.gz IOUAQTCBIRDHLB-UHFFFAOYSA-N 0 3 267.332 2.560 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC001005777711 626420972 /nfs/dbraw/zinc/42/09/72/626420972.db2.gz RSJOZZQAMPXBAH-UHFFFAOYSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCC1(NCc2ccc(-c3cc[nH]n3)o2)CCC1 ZINC000922997493 626440942 /nfs/dbraw/zinc/44/09/42/626440942.db2.gz JHRZHBNPGUCBFO-UHFFFAOYSA-N 0 3 255.321 2.705 20 30 CFEDHN N#Cc1csc(CNC2([C@@H]3CCCCO3)CC2)c1 ZINC000923029112 626445113 /nfs/dbraw/zinc/44/51/13/626445113.db2.gz CWTJAFDBBHLFFW-ZDUSSCGKSA-N 0 3 262.378 2.811 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2csc(C)n2)CC1 ZINC001005875297 626445383 /nfs/dbraw/zinc/44/53/83/626445383.db2.gz GBSXTPXQPNVAJR-UHFFFAOYSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc[nH]c2C2CC2)CC1 ZINC001005893836 626447477 /nfs/dbraw/zinc/44/74/77/626447477.db2.gz QQSRJOQFSROGBG-UHFFFAOYSA-N 0 3 287.407 2.615 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001005950311 626453676 /nfs/dbraw/zinc/45/36/76/626453676.db2.gz SLHYUIKORMOMGT-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCN(C(=O)NCC[C@@H](C)CCC)C1CCN(C)CC1 ZINC000923995882 626454065 /nfs/dbraw/zinc/45/40/65/626454065.db2.gz BZGXVKUPJHDGEM-HNNXBMFYSA-N 0 3 293.455 2.552 20 30 CFEDHN COC(=O)/C=C(\C)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000929378583 626465620 /nfs/dbraw/zinc/46/56/20/626465620.db2.gz ACXFQJGHMZOSJM-NTEUORMPSA-N 0 3 286.375 2.888 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)[nH]c2C)CC1 ZINC001006059768 626468709 /nfs/dbraw/zinc/46/87/09/626468709.db2.gz KQRJGIYFRPYABQ-UHFFFAOYSA-N 0 3 289.423 2.744 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)cc1Cl ZINC000838624270 626502198 /nfs/dbraw/zinc/50/21/98/626502198.db2.gz PHLZTHRWOYDFOS-UHFFFAOYSA-N 0 3 293.798 2.725 20 30 CFEDHN C#CC[N@@H+](Cc1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000838800340 626505731 /nfs/dbraw/zinc/50/57/31/626505731.db2.gz YRKQYTBJKCWRDI-UHFFFAOYSA-N 0 3 285.391 2.828 20 30 CFEDHN C#CC[N@H+](Cc1cc(=O)[n-]c(C2CC2)n1)C1CCCCC1 ZINC000838800340 626505732 /nfs/dbraw/zinc/50/57/32/626505732.db2.gz YRKQYTBJKCWRDI-UHFFFAOYSA-N 0 3 285.391 2.828 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCC1 ZINC000838866080 626511938 /nfs/dbraw/zinc/51/19/38/626511938.db2.gz OBIPQDUFAFKRDU-BBRMVZONSA-N 0 3 298.386 2.790 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839188033 626530332 /nfs/dbraw/zinc/53/03/32/626530332.db2.gz VNIHUNOJWNYLKD-UNEWFSDZSA-N 0 3 286.375 2.588 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OCC)c(OCC)c1 ZINC000809685821 626548943 /nfs/dbraw/zinc/54/89/43/626548943.db2.gz TVNLWBADHBLLNR-CQSZACIVSA-N 0 3 261.365 2.985 20 30 CFEDHN COc1ccc(CN(C)CCO[C@@H](C)C#N)cc1Cl ZINC000839661266 626549916 /nfs/dbraw/zinc/54/99/16/626549916.db2.gz LCASBOSCRZBTFB-NSHDSACASA-N 0 3 282.771 2.709 20 30 CFEDHN C(=NNC1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000757597937 626556176 /nfs/dbraw/zinc/55/61/76/626556176.db2.gz JNFJQRQSIOFRGN-UHFFFAOYSA-N 0 3 287.407 2.779 20 30 CFEDHN CC(C)CCN(Cn1cccc(C#N)c1=O)C1CCCC1 ZINC000758211806 626582708 /nfs/dbraw/zinc/58/27/08/626582708.db2.gz ZGRUFSFUNCVURB-UHFFFAOYSA-N 0 3 287.407 2.968 20 30 CFEDHN C#Cc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)nc1 ZINC000759744176 626688801 /nfs/dbraw/zinc/68/88/01/626688801.db2.gz GWATUCQSXSYEGI-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000760478208 626749500 /nfs/dbraw/zinc/74/95/00/626749500.db2.gz IXKWLOUQKFTZIL-OLZOCXBDSA-N 0 3 256.353 2.883 20 30 CFEDHN C=CC[C@@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000760478206 626749674 /nfs/dbraw/zinc/74/96/74/626749674.db2.gz IXKWLOUQKFTZIL-CHWSQXEVSA-N 0 3 256.353 2.883 20 30 CFEDHN CCCCCCCN1CCN(c2nccn2C)CC1 ZINC000760873744 626780063 /nfs/dbraw/zinc/78/00/63/626780063.db2.gz CPGGXFGZXSUGOX-UHFFFAOYSA-N 0 3 264.417 2.513 20 30 CFEDHN C#CCOCCN1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000851777223 634523157 /nfs/dbraw/zinc/52/31/57/634523157.db2.gz LTITVEWSVBHSSC-HOCLYGCPSA-N 0 3 275.417 2.815 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC(Cc3ccccc3)C2)cc1 ZINC000761059395 626795272 /nfs/dbraw/zinc/79/52/72/626795272.db2.gz FGLLCOUOQJMHCF-LJQANCHMSA-N 0 3 292.382 2.766 20 30 CFEDHN C#CCOCCN(C)Cc1ccc(Br)cc1 ZINC000761107749 626805985 /nfs/dbraw/zinc/80/59/85/626805985.db2.gz HDHDDPPMKNBUAP-UHFFFAOYSA-N 0 3 282.181 2.531 20 30 CFEDHN C[C@H]1CC(N=Nc2cccc3ncccc23)CN1C ZINC000761805392 626859797 /nfs/dbraw/zinc/85/97/97/626859797.db2.gz CKEPDIOGMXRDIM-NSHDSACASA-N 0 3 254.337 2.727 20 30 CFEDHN CCCCCCCCN1CCN2C(=O)OCC[C@@H]2C1 ZINC000764426267 627059898 /nfs/dbraw/zinc/05/98/98/627059898.db2.gz RZZXLTMOPJVVSI-CQSZACIVSA-N 0 3 268.401 2.873 20 30 CFEDHN CC#CCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000765483982 627141628 /nfs/dbraw/zinc/14/16/28/627141628.db2.gz ZPPNAJSXIYXHLM-UHFFFAOYSA-N 0 3 285.387 2.855 20 30 CFEDHN CCCCCCCCN1CCN2C(=O)CC[C@H]2C1 ZINC000766270429 627189459 /nfs/dbraw/zinc/18/94/59/627189459.db2.gz JHGGSEULQAOKHR-AWEZNQCLSA-N 0 3 252.402 2.654 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cc(OC)cc(CC=C)c1O ZINC000766665615 627213345 /nfs/dbraw/zinc/21/33/45/627213345.db2.gz JLJDHUJAEVHXIO-GFCCVEGCSA-N 0 3 259.349 2.583 20 30 CFEDHN C#CCCCN1CCN(Cc2cccc(C)c2)CC1 ZINC000766895878 627225246 /nfs/dbraw/zinc/22/52/46/627225246.db2.gz JOBBWVJJQVQMPW-UHFFFAOYSA-N 0 3 256.393 2.526 20 30 CFEDHN Cc1ccc([C@@H](O)CNCc2ccc(C#N)c(C)c2)o1 ZINC000767692031 627275644 /nfs/dbraw/zinc/27/56/44/627275644.db2.gz SVFVIMFZTZTMHC-HNNXBMFYSA-N 0 3 270.332 2.591 20 30 CFEDHN N#CCCNC(=O)CN1CCC[C@H]1CCCc1ccccc1 ZINC000767909022 627293829 /nfs/dbraw/zinc/29/38/29/627293829.db2.gz YCDNKTXZGLNPIL-QGZVFWFLSA-N 0 3 299.418 2.504 20 30 CFEDHN C[C@H](CC#N)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000771886736 627642810 /nfs/dbraw/zinc/64/28/10/627642810.db2.gz RFWCRFJZLPDGET-CQSZACIVSA-N 0 3 270.380 2.903 20 30 CFEDHN C[C@@H](CC#N)NN=C1CCCC[C@H]1N1CCCCC1 ZINC000771891362 627644158 /nfs/dbraw/zinc/64/41/58/627644158.db2.gz YYPDYIXQLRNMEE-DZGCQCFKSA-N 0 3 262.401 2.663 20 30 CFEDHN C=CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772322402 627701831 /nfs/dbraw/zinc/70/18/31/627701831.db2.gz FSFJZNSDTMXSJL-CHWSQXEVSA-N 0 3 268.401 2.892 20 30 CFEDHN C#CCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772332029 627702493 /nfs/dbraw/zinc/70/24/93/627702493.db2.gz ORWISARZZRZAGW-KBPBESRZSA-N 0 3 280.412 2.730 20 30 CFEDHN C#C[C@H](NCCSc1cccc(OC)c1)[C@H]1CCCO1 ZINC000851949731 634604507 /nfs/dbraw/zinc/60/45/07/634604507.db2.gz IIHWEVOJBRZCGP-JKSUJKDBSA-N 0 3 291.416 2.558 20 30 CFEDHN C#CCCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000773380865 627811379 /nfs/dbraw/zinc/81/13/79/627811379.db2.gz ZVGKQEDPUHOKJI-UHFFFAOYSA-N 0 3 278.440 2.759 20 30 CFEDHN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773770287 627857562 /nfs/dbraw/zinc/85/75/62/627857562.db2.gz NHCBYOWEYIBJFO-DGCLKSJQSA-N 0 3 290.388 2.866 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774825549 627968225 /nfs/dbraw/zinc/96/82/25/627968225.db2.gz DLCWNFVZISIOED-SNVBAGLBSA-N 0 3 284.743 2.522 20 30 CFEDHN CCC(CC)[C@@H](NCC(=O)NCCC#N)c1cccs1 ZINC000775214029 628000614 /nfs/dbraw/zinc/00/06/14/628000614.db2.gz ZCINZZKDXJKAHQ-OAHLLOKOSA-N 0 3 293.436 2.845 20 30 CFEDHN C#CCNC(=O)CN[C@H](c1cccs1)C(CC)CC ZINC000775209397 628000629 /nfs/dbraw/zinc/00/06/29/628000629.db2.gz AVRUPGAPCHPBHC-HNNXBMFYSA-N 0 3 278.421 2.564 20 30 CFEDHN C#C[C@@H](NC1CC(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000775573049 628040704 /nfs/dbraw/zinc/04/07/04/628040704.db2.gz WEMDPNQZSGGLFJ-BACDZXNISA-N 0 3 255.361 2.703 20 30 CFEDHN C#C[C@H](N[C@H](CC)c1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000775572486 628040737 /nfs/dbraw/zinc/04/07/37/628040737.db2.gz BAEVINNJNQSADR-IKGGRYGDSA-N 0 3 273.376 2.917 20 30 CFEDHN C#C[C@H](N[C@H]1CCc2ccc(C)cc21)[C@H]1CCCO1 ZINC000775574186 628042557 /nfs/dbraw/zinc/04/25/57/628042557.db2.gz OFLVHEKDLMECKM-YESZJQIVSA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@@H]1Cc2ccc(Cl)cc2C1)[C@@H]1CCCO1 ZINC000775575479 628042570 /nfs/dbraw/zinc/04/25/70/628042570.db2.gz XMHPDCBJPHRCSJ-PMPSAXMXSA-N 0 3 275.779 2.578 20 30 CFEDHN C#C[C@H](NCCc1ccccc1Cl)[C@@H]1CCCO1 ZINC000775790027 628068101 /nfs/dbraw/zinc/06/81/01/628068101.db2.gz PFSWRWQTDUOZIK-GJZGRUSLSA-N 0 3 263.768 2.653 20 30 CFEDHN C#C[C@@H](NCCc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000775793134 628068965 /nfs/dbraw/zinc/06/89/65/628068965.db2.gz VLEGGJGWLOGRBI-CABCVRRESA-N 0 3 281.758 2.792 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000775984928 628090801 /nfs/dbraw/zinc/09/08/01/628090801.db2.gz IGXILEMAPYTXEK-RBSFLKMASA-N 0 3 287.407 2.502 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000775985115 628091457 /nfs/dbraw/zinc/09/14/57/628091457.db2.gz JUFVOULOTUSWKF-HOTGVXAUSA-N 0 3 286.419 2.613 20 30 CFEDHN C#C[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCCO1 ZINC000776001979 628093538 /nfs/dbraw/zinc/09/35/38/628093538.db2.gz RLYQECGGOIIORW-KGLIPLIRSA-N 0 3 279.767 2.624 20 30 CFEDHN C#C[C@@H](NCc1cc(Cl)cc(C)c1O)[C@@H]1CCCO1 ZINC000776001979 628093540 /nfs/dbraw/zinc/09/35/40/628093540.db2.gz RLYQECGGOIIORW-KGLIPLIRSA-N 0 3 279.767 2.624 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cccc(CO)c1 ZINC000776307123 628129485 /nfs/dbraw/zinc/12/94/85/628129485.db2.gz VOYCJGLDYBCYCD-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN C#CCOCCN(C)[C@@H](CC)c1ccccc1OC ZINC000852053110 634637516 /nfs/dbraw/zinc/63/75/16/634637516.db2.gz ZRBKRPTUBAFARW-HNNXBMFYSA-N 0 3 261.365 2.728 20 30 CFEDHN CCCCCCCN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000778188923 628285314 /nfs/dbraw/zinc/28/53/14/628285314.db2.gz KRRAYDPVEWHTJR-UHFFFAOYSA-N 0 3 284.444 2.526 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC1(CCO)CC1 ZINC000778217275 628288694 /nfs/dbraw/zinc/28/86/94/628288694.db2.gz XRWZGUZLPNHVTK-UHFFFAOYSA-N 0 3 293.794 2.604 20 30 CFEDHN C=C(Cl)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000779106012 628353251 /nfs/dbraw/zinc/35/32/51/628353251.db2.gz KORPBHSYHIXEHC-CMPLNLGQSA-N 0 3 288.819 2.974 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000852097698 634651106 /nfs/dbraw/zinc/65/11/06/634651106.db2.gz UXGKTLKBMUOVKT-CRAIPNDOSA-N 0 3 286.419 2.815 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000852097902 634651646 /nfs/dbraw/zinc/65/16/46/634651646.db2.gz ZXSMKWABEXHCPQ-LRDDRELGSA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccc(CC)cc1 ZINC000852098207 634651872 /nfs/dbraw/zinc/65/18/72/634651872.db2.gz HKWACJAMXGQJLX-SFHVURJKSA-N 0 3 286.419 2.599 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000852098287 634651906 /nfs/dbraw/zinc/65/19/06/634651906.db2.gz IZYQVIDBIVWCRU-CJNGLKHVSA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000852098470 634652076 /nfs/dbraw/zinc/65/20/76/634652076.db2.gz OFIAEQQOZDSMGT-WMLDXEAASA-N 0 3 278.440 2.948 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000852097702 634652218 /nfs/dbraw/zinc/65/22/18/634652218.db2.gz UXGKTLKBMUOVKT-QAPCUYQASA-N 0 3 286.419 2.815 20 30 CFEDHN CCC(N=Nc1ccncc1)c1ccc(OC)cc1 ZINC000779808748 628408553 /nfs/dbraw/zinc/40/85/53/628408553.db2.gz GZIQEAYMXVDPKE-UHFFFAOYSA-N 0 3 255.321 2.738 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000852100225 634654011 /nfs/dbraw/zinc/65/40/11/634654011.db2.gz GFLFGLFGOFWMEB-AEFFLSMTSA-N 0 3 284.403 2.569 20 30 CFEDHN C#CCCCCCC(=O)N(CCN(C)C)CC(C)C ZINC000780653333 628485134 /nfs/dbraw/zinc/48/51/34/628485134.db2.gz FPRJEKJDXAKFSS-UHFFFAOYSA-N 0 3 266.429 2.616 20 30 CFEDHN CC1(C#N)CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000780782777 628497046 /nfs/dbraw/zinc/49/70/46/628497046.db2.gz VCCLVECYBKHNJS-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)NCCN1CCCCC1 ZINC000780982007 628510529 /nfs/dbraw/zinc/51/05/29/628510529.db2.gz QGJGNMNDJNYXOQ-HNNXBMFYSA-N 0 3 297.443 2.560 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cn1)c1ccccc1O ZINC000783292304 628697691 /nfs/dbraw/zinc/69/76/91/628697691.db2.gz ADJDCXCQLSFUNK-HNNXBMFYSA-N 0 3 267.332 2.900 20 30 CFEDHN CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1[O-] ZINC000783292304 628697694 /nfs/dbraw/zinc/69/76/94/628697694.db2.gz ADJDCXCQLSFUNK-HNNXBMFYSA-N 0 3 267.332 2.900 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CC1CC1)c1ccccc1 ZINC000783533379 628718028 /nfs/dbraw/zinc/71/80/28/628718028.db2.gz ZCWFLHBWJFAHMJ-MRXNPFEDSA-N 0 3 293.432 2.718 20 30 CFEDHN C#CCOCCN[C@@H](CC)c1ccc(F)cc1F ZINC000784078994 628773556 /nfs/dbraw/zinc/77/35/56/628773556.db2.gz GXEMQOAAYOSJJI-AWEZNQCLSA-N 0 3 253.292 2.655 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1COC(C)(C)O1 ZINC000852193029 634685270 /nfs/dbraw/zinc/68/52/70/634685270.db2.gz WPZSROOFAMRFFS-SWLSCSKDSA-N 0 3 274.364 2.703 20 30 CFEDHN Cc1cc(C#N)ccc1COC(=O)C1CCN(C2CC2)CC1 ZINC000784349376 628808078 /nfs/dbraw/zinc/80/80/78/628808078.db2.gz VECIXUYPOVBCGK-UHFFFAOYSA-N 0 3 298.386 2.784 20 30 CFEDHN C=C(CC)CN1CCCN(c2ncccc2F)CC1 ZINC000784399665 628815057 /nfs/dbraw/zinc/81/50/57/628815057.db2.gz OHQQCSWRRSVOBJ-UHFFFAOYSA-N 0 3 263.360 2.699 20 30 CFEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000784488476 628820651 /nfs/dbraw/zinc/82/06/51/628820651.db2.gz KBEYPTYSGPZHPK-SKDRFNHKSA-N 0 3 259.284 2.733 20 30 CFEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000784489905 628820979 /nfs/dbraw/zinc/82/09/79/628820979.db2.gz ZRVHSXGJQYUYTM-GXFFZTMASA-N 0 3 273.311 2.744 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCC[C@@H](C)CC ZINC000784832120 628844438 /nfs/dbraw/zinc/84/44/38/628844438.db2.gz ZSMWGWJWSBZUHO-QWHCGFSZSA-N 0 3 264.369 2.604 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785998005 628929253 /nfs/dbraw/zinc/92/92/53/628929253.db2.gz UKQQUYHORNUOSA-UKRRQHHQSA-N 0 3 276.336 2.669 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000785998267 628929465 /nfs/dbraw/zinc/92/94/65/628929465.db2.gz BDMFAKKPTCZKEE-JKSUJKDBSA-N 0 3 256.349 2.632 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786539410 628967218 /nfs/dbraw/zinc/96/72/18/628967218.db2.gz IPYXYYOKVFUTAS-DZGCQCFKSA-N 0 3 286.375 2.756 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCCC(C)(C)C ZINC000805855516 629039031 /nfs/dbraw/zinc/03/90/31/629039031.db2.gz JRBJBFOWRBXEAF-LBPRGKRZSA-N 0 3 264.369 2.604 20 30 CFEDHN C#CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCCC1 ZINC000788231390 629052463 /nfs/dbraw/zinc/05/24/63/629052463.db2.gz DJPBLOKVWNWGOF-GOEBONIOSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCC1(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CCCCC1 ZINC000788231389 629052492 /nfs/dbraw/zinc/05/24/92/629052492.db2.gz DJPBLOKVWNWGOF-GDBMZVCRSA-N 0 3 288.435 2.559 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc3c(cc[nH]c3=O)c2)CN1C1CC1 ZINC000789073753 629123689 /nfs/dbraw/zinc/12/36/89/629123689.db2.gz QMSGBRPIUQVOJL-LLVKDONJSA-N 0 3 296.374 2.553 20 30 CFEDHN C#CCCCN1CCN(c2ccccc2F)C[C@H]1C ZINC000789498897 629162538 /nfs/dbraw/zinc/16/25/38/629162538.db2.gz UOLAIZQFUOMRTR-CQSZACIVSA-N 0 3 260.356 2.750 20 30 CFEDHN N#CC1(CCN2CCC3=C(CCC(=O)N3)C2)CCCCC1 ZINC000852295019 634713168 /nfs/dbraw/zinc/71/31/68/634713168.db2.gz PFLWKKBXMACKQQ-UHFFFAOYSA-N 0 3 287.407 2.720 20 30 CFEDHN COC1(CC(=O)C(C#N)c2nc3ccccc3o2)CCC1 ZINC000791783596 629357332 /nfs/dbraw/zinc/35/73/32/629357332.db2.gz NDGFWLXMZRYUEA-NSHDSACASA-N 0 3 284.315 2.963 20 30 CFEDHN CC[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000791892162 629372556 /nfs/dbraw/zinc/37/25/56/629372556.db2.gz XQRYXCYRCNLQMA-UKRRQHHQSA-N 0 3 286.375 2.790 20 30 CFEDHN C=CCN(C[C@H](O)c1cccc(Cl)c1)[C@H](C)COC ZINC000852358512 634732860 /nfs/dbraw/zinc/73/28/60/634732860.db2.gz VBLOFKWGWNMWTF-DOMZBBRYSA-N 0 3 283.799 2.896 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000794819005 629690482 /nfs/dbraw/zinc/69/04/82/629690482.db2.gz WIXUDSSKWGUXSU-UKRRQHHQSA-N 0 3 263.381 2.926 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000794819006 629690554 /nfs/dbraw/zinc/69/05/54/629690554.db2.gz WIXUDSSKWGUXSU-ZFWWWQNUSA-N 0 3 263.381 2.926 20 30 CFEDHN C#CCN(CCC(C)(C)C(=O)OC)Cc1ccccc1 ZINC000796632590 629943205 /nfs/dbraw/zinc/94/32/05/629943205.db2.gz MSNIWYHEDJLSNL-UHFFFAOYSA-N 0 3 273.376 2.711 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CCCc2n[nH]cc21 ZINC000796973432 629997888 /nfs/dbraw/zinc/99/78/88/629997888.db2.gz XKJVQKLJNGMIOP-HOTGVXAUSA-N 0 3 278.359 2.936 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000797877978 630116107 /nfs/dbraw/zinc/11/61/07/630116107.db2.gz IFWZHADPWJWQPP-YOEHRIQHSA-N 0 3 291.391 2.862 20 30 CFEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000103639228 630306608 /nfs/dbraw/zinc/30/66/08/630306608.db2.gz HMOHXVLHWLPLNR-ZFWWWQNUSA-N 0 3 286.375 2.804 20 30 CFEDHN CCc1cccc(C)c1NNC1=CC(=O)N2CCCC12 ZINC000799493804 630315237 /nfs/dbraw/zinc/31/52/37/630315237.db2.gz PZWQBODZJRFHPC-CQSZACIVSA-N 0 3 271.364 2.720 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000799717468 630338507 /nfs/dbraw/zinc/33/85/07/630338507.db2.gz GJYXIBOZQVXGJK-XBFCOCLRSA-N 0 3 298.308 2.718 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000799717466 630338581 /nfs/dbraw/zinc/33/85/81/630338581.db2.gz GJYXIBOZQVXGJK-KWCYVHTRSA-N 0 3 298.308 2.718 20 30 CFEDHN COc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)c([O-])c1 ZINC000799735469 630342112 /nfs/dbraw/zinc/34/21/12/630342112.db2.gz VQWXBHAIIKNNJI-UHFFFAOYSA-N 0 3 298.342 2.571 20 30 CFEDHN C#CCN(Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000801588258 630460894 /nfs/dbraw/zinc/46/08/94/630460894.db2.gz JOTYAGFVQMPPRE-CYBMUJFWSA-N 0 3 273.376 2.938 20 30 CFEDHN Cc1nc(C)c([C@H](C)N(C)CCO[C@@H](C)C#N)s1 ZINC000801919005 630484428 /nfs/dbraw/zinc/48/44/28/630484428.db2.gz FPLRLGDMTJASGP-ONGXEEELSA-N 0 3 267.398 2.681 20 30 CFEDHN C[C@@H](C#N)OCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000801910678 630485417 /nfs/dbraw/zinc/48/54/17/630485417.db2.gz PIOHWPZKHVNBTK-QWRGUYRKSA-N 0 3 268.307 2.886 20 30 CFEDHN COc1ccccc1[C@@H]1CCCN1CCO[C@@H](C)C#N ZINC000801917765 630487905 /nfs/dbraw/zinc/48/79/05/630487905.db2.gz OSEGXAALBQDAJX-ZFWWWQNUSA-N 0 3 274.364 2.761 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000801953855 630495053 /nfs/dbraw/zinc/49/50/53/630495053.db2.gz XPCZSEHKZKERGT-CJNGLKHVSA-N 0 3 276.355 2.718 20 30 CFEDHN COC[C@@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000801952405 630495115 /nfs/dbraw/zinc/49/51/15/630495115.db2.gz VXAHRZXOYCQWPF-SMDDNHRTSA-N 0 3 282.771 2.546 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000801955981 630495380 /nfs/dbraw/zinc/49/53/80/630495380.db2.gz YKBIVHOFSGGFRC-RYUDHWBXSA-N 0 3 290.329 2.970 20 30 CFEDHN C=C(Br)CNC1(COC)CCCCC1 ZINC000852771566 634829331 /nfs/dbraw/zinc/82/93/31/634829331.db2.gz SOLLGZAYBHDVKW-UHFFFAOYSA-N 0 3 262.191 2.834 20 30 CFEDHN C#C[C@@H](NC(=O)CN(C)CCC)c1ccc(Cl)cc1F ZINC000804421611 630680251 /nfs/dbraw/zinc/68/02/51/630680251.db2.gz ZKXKVUZHZSPESH-CQSZACIVSA-N 0 3 296.773 2.611 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000807681751 630903892 /nfs/dbraw/zinc/90/38/92/630903892.db2.gz MYDWRWIRVIYYFP-KBPBESRZSA-N 0 3 290.407 2.875 20 30 CFEDHN C#CCCCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000836920327 630916705 /nfs/dbraw/zinc/91/67/05/630916705.db2.gz RDMDPGZRSNMQGI-KRWDZBQOSA-N 0 3 298.430 2.770 20 30 CFEDHN CCN(C)c1ccc(C(C)=NN[C@H]2CCSC2)cc1 ZINC000808004147 630939488 /nfs/dbraw/zinc/93/94/88/630939488.db2.gz HDHRERXBUAWYAG-AWEZNQCLSA-N 0 3 277.437 2.962 20 30 CFEDHN CN(C)C[C@@H](NC(=O)C#CC(C)(C)C)c1ccc(F)cc1 ZINC000837653425 631097595 /nfs/dbraw/zinc/09/75/95/631097595.db2.gz WYLBNBQAUPUCFK-OAHLLOKOSA-N 0 3 290.382 2.594 20 30 CFEDHN C=CCC(F)(F)C(=O)OCCN(C)Cc1ccccc1 ZINC000837745432 631121949 /nfs/dbraw/zinc/12/19/49/631121949.db2.gz UISAITOKFPTKRM-UHFFFAOYSA-N 0 3 283.318 2.873 20 30 CFEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(-c2cccnc2)cc1 ZINC000809577745 631238376 /nfs/dbraw/zinc/23/83/76/631238376.db2.gz BJKXFCGSHDFBKY-CXAGYDPISA-N 0 3 281.359 2.674 20 30 CFEDHN C#Cc1ccc(CNCc2cccc(NC(C)=O)c2)cc1 ZINC000809605861 631245075 /nfs/dbraw/zinc/24/50/75/631245075.db2.gz QNDMWJFLDCCOFA-UHFFFAOYSA-N 0 3 278.355 2.916 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(OCCOC)cc2)cc1 ZINC000809605413 631245281 /nfs/dbraw/zinc/24/52/81/631245281.db2.gz HQVNLZKPZAGBRL-UHFFFAOYSA-N 0 3 295.382 2.983 20 30 CFEDHN C#Cc1ccc(CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000809617851 631247905 /nfs/dbraw/zinc/24/79/05/631247905.db2.gz BPSYBJFMVYQYGU-SFHVURJKSA-N 0 3 265.356 2.665 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2CCCc3nc(C)ncc32)cc1 ZINC000809618652 631247950 /nfs/dbraw/zinc/24/79/50/631247950.db2.gz MSYLICAPZPFBCD-QGZVFWFLSA-N 0 3 277.371 2.934 20 30 CFEDHN C#Cc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000809658506 631257616 /nfs/dbraw/zinc/25/76/16/631257616.db2.gz PHWAWZUQOFWUJE-UHFFFAOYSA-N 0 3 267.328 2.672 20 30 CFEDHN C#CCSCCN[C@H](COC)c1cccc(Cl)c1 ZINC000810227597 631346641 /nfs/dbraw/zinc/34/66/41/631346641.db2.gz YOJFKZXWZWQNQB-CQSZACIVSA-N 0 3 283.824 2.984 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NN[C@H]1CCOC1(C)C ZINC000841641788 631441239 /nfs/dbraw/zinc/44/12/39/631441239.db2.gz WIYFNEVFJVQAOY-HNNXBMFYSA-N 0 3 275.396 2.552 20 30 CFEDHN C=CCCCCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000841903463 631491466 /nfs/dbraw/zinc/49/14/66/631491466.db2.gz SFEYFEMHZASWOA-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCCCCCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000841903656 631492493 /nfs/dbraw/zinc/49/24/93/631492493.db2.gz ZPIXYEBAIYHERB-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(Br)CN(C)C(C)(C)CN1CCCC1 ZINC000842171390 631560575 /nfs/dbraw/zinc/56/05/75/631560575.db2.gz MTADYFPZVBSVKN-UHFFFAOYSA-N 0 3 275.234 2.701 20 30 CFEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000842335051 631596567 /nfs/dbraw/zinc/59/65/67/631596567.db2.gz ISCLXZGMJZFCLI-QWHCGFSZSA-N 0 3 275.352 2.638 20 30 CFEDHN CC(=NNC[C@H]1CCSC1)c1ccc(N)cc1C ZINC000811658854 631597484 /nfs/dbraw/zinc/59/74/84/631597484.db2.gz KSHXTWKPJBRGCW-GFCCVEGCSA-N 0 3 263.410 2.644 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000811811469 631625955 /nfs/dbraw/zinc/62/59/55/631625955.db2.gz CHUMRKLNIWCCBF-FZMZJTMJSA-N 0 3 283.375 2.798 20 30 CFEDHN C=CCCCCCCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000811892290 631636953 /nfs/dbraw/zinc/63/69/53/631636953.db2.gz PNBFNMDPEFQHIV-HNNXBMFYSA-N 0 3 281.444 2.906 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN(C)[C@H](C)CO)cc1 ZINC000842544119 631660487 /nfs/dbraw/zinc/66/04/87/631660487.db2.gz FHZAGMKMRIXKOL-OAHLLOKOSA-N 0 3 291.439 2.960 20 30 CFEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000813059537 631822634 /nfs/dbraw/zinc/82/26/34/631822634.db2.gz BNRBMAYOXCNOLL-SNVBAGLBSA-N 0 3 289.722 2.681 20 30 CFEDHN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000813090137 631833072 /nfs/dbraw/zinc/83/30/72/631833072.db2.gz GUSKARBMHNDXGH-OAGGEKHMSA-N 0 3 298.386 2.790 20 30 CFEDHN CCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813221542 631884146 /nfs/dbraw/zinc/88/41/46/631884146.db2.gz UHUIMVYLONSJHB-JTQLQIEISA-N 0 3 286.253 2.703 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cnc3c(C)cccn23)C1 ZINC000843424393 631953234 /nfs/dbraw/zinc/95/32/34/631953234.db2.gz SYWXBIKQJUFOML-HNNXBMFYSA-N 0 3 267.376 2.878 20 30 CFEDHN C#CC1CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000843426569 631954557 /nfs/dbraw/zinc/95/45/57/631954557.db2.gz AGRDXLYXHIZFOW-UHFFFAOYSA-N 0 3 259.397 2.563 20 30 CFEDHN C#C[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccccc1 ZINC000843637839 632012094 /nfs/dbraw/zinc/01/20/94/632012094.db2.gz GEBFKXHHAGBHHH-RDJZCZTQSA-N 0 3 284.403 2.742 20 30 CFEDHN CCN(CCO)c1ccc(C=NOCCC2CC2)c(C)c1 ZINC000814246750 632045774 /nfs/dbraw/zinc/04/57/74/632045774.db2.gz XJDKBJJLSJACLK-UHFFFAOYSA-N 0 3 290.407 2.964 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000814420214 632061683 /nfs/dbraw/zinc/06/16/83/632061683.db2.gz SCRJPQCNUYGOGT-MRXNPFEDSA-N 0 3 284.419 2.917 20 30 CFEDHN C#CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000844048197 632103489 /nfs/dbraw/zinc/10/34/89/632103489.db2.gz ASXOIYQCWVSPBW-UHFFFAOYSA-N 0 3 296.414 2.768 20 30 CFEDHN C#C[C@H](NCCO[C@H](CC)c1ccccc1)[C@H]1CCCO1 ZINC000844322750 632169739 /nfs/dbraw/zinc/16/97/39/632169739.db2.gz PDFBCAMMBWZPHM-RCCFBDPRSA-N 0 3 287.403 2.925 20 30 CFEDHN CCOc1ccc(N=NC2CN(C3CC3)C[C@H]2C)cc1 ZINC000814984613 632186232 /nfs/dbraw/zinc/18/62/32/632186232.db2.gz RJKYMVOEUKTJNH-GFCCVEGCSA-N 0 3 273.380 2.967 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1cccc2ccccc21)[C@@H]1CCCO1 ZINC000815093661 632200073 /nfs/dbraw/zinc/20/00/73/632200073.db2.gz PVOFFSVBRDGHQV-FHWLQOOXSA-N 0 3 295.382 2.644 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844439731 632211306 /nfs/dbraw/zinc/21/13/06/632211306.db2.gz POBYGCPFIHIZCE-GJZGRUSLSA-N 0 3 292.329 2.713 20 30 CFEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000815163510 632221251 /nfs/dbraw/zinc/22/12/51/632221251.db2.gz RXZPMWOWPQJTAC-GRYCIOLGSA-N 0 3 299.399 2.813 20 30 CFEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000815557246 632289071 /nfs/dbraw/zinc/28/90/71/632289071.db2.gz PCMODVBBMAGAAC-UHFFFAOYSA-N 0 3 288.382 2.921 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C)C[C@H]2CC)cc1 ZINC000816661018 632507582 /nfs/dbraw/zinc/50/75/82/632507582.db2.gz YGBWIDCVSSXQPA-QGZVFWFLSA-N 0 3 286.419 2.615 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN[C@@H]1CCC[C@H]1O ZINC000817330413 632605118 /nfs/dbraw/zinc/60/51/18/632605118.db2.gz MCEDBFZPSNLADZ-RCSYZCJSSA-N 0 3 299.418 2.787 20 30 CFEDHN C[C@H](NCc1ccc(C#N)o1)[C@@](C)(O)c1ccccc1 ZINC000846034654 632619126 /nfs/dbraw/zinc/61/91/26/632619126.db2.gz BEMMQTSZKZXXMK-BLLLJJGKSA-N 0 3 270.332 2.537 20 30 CFEDHN CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H](N)CCCC#N ZINC000818108223 632802030 /nfs/dbraw/zinc/80/20/30/632802030.db2.gz JIAKLYSBHZIFSZ-OAHLLOKOSA-N 0 3 299.418 2.894 20 30 CFEDHN COC(=O)/C(C)=C\CNC1(c2ccc(C#N)cc2)CCC1 ZINC000847054824 632904689 /nfs/dbraw/zinc/90/46/89/632904689.db2.gz VJPBRPKFUHFNIN-JYRVWZFOSA-N 0 3 284.359 2.646 20 30 CFEDHN Cc1cc(C)nc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848399917 633248569 /nfs/dbraw/zinc/24/85/69/633248569.db2.gz WCKSANHFRANIAD-CQSZACIVSA-N 0 3 273.384 2.510 20 30 CFEDHN Cc1ccnc(N=NC2CCCN3CCCC[C@@H]23)c1 ZINC000848406534 633250417 /nfs/dbraw/zinc/25/04/17/633250417.db2.gz GNEZEINDFHOCOO-AWEZNQCLSA-N 0 3 258.369 2.806 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC1(COC)CC1 ZINC000848565951 633290717 /nfs/dbraw/zinc/29/07/17/633290717.db2.gz VJRWOLXGSFDPKD-UHFFFAOYSA-N 0 3 293.794 2.868 20 30 CFEDHN C#C[C@@H](NC(=O)N1CCN(C(C)(C)CC)CC1)C(C)(C)C ZINC000848661291 633312387 /nfs/dbraw/zinc/31/23/87/633312387.db2.gz YPUISAVCCOTDTP-CQSZACIVSA-N 0 3 293.455 2.550 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c(C)nn(CCC)c2C)C1 ZINC000848924400 633407163 /nfs/dbraw/zinc/40/71/63/633407163.db2.gz RLKIDCQXNJZDPL-HNNXBMFYSA-N 0 3 259.397 2.755 20 30 CFEDHN N#CC1(CNC(=N)Nc2cc(F)ccc2F)CCCC1 ZINC000849047091 633479456 /nfs/dbraw/zinc/47/94/56/633479456.db2.gz PZAFTGLWYGEUHH-UHFFFAOYSA-N 0 3 278.306 2.985 20 30 CFEDHN C[C@@H](CC/N=C/c1cc(Cl)ccc1[O-])[NH+](C)C ZINC000849170453 633578054 /nfs/dbraw/zinc/57/80/54/633578054.db2.gz PNMQLBIEVQGKCN-CNOAHFENSA-N 0 3 254.761 2.805 20 30 CFEDHN C[C@@H](CC/N=C\c1cc(Cl)ccc1[O-])[NH+](C)C ZINC000849170456 633578222 /nfs/dbraw/zinc/57/82/22/633578222.db2.gz PNMQLBIEVQGKCN-QNKACBJSSA-N 0 3 254.761 2.805 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)n1 ZINC000850387775 633971234 /nfs/dbraw/zinc/97/12/34/633971234.db2.gz ZSJOXENJRAFPMX-IUODEOHRSA-N 0 3 298.415 2.911 20 30 CFEDHN N#CC(C(=O)CCCF)C(=O)Nc1ccc(Cl)cc1 ZINC000850756168 634080813 /nfs/dbraw/zinc/08/08/13/634080813.db2.gz NFRFMLYQTKWTFH-NSHDSACASA-N 0 3 282.702 2.737 20 30 CFEDHN C[C@@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000850757121 634081477 /nfs/dbraw/zinc/08/14/77/634081477.db2.gz WNRXQNVKVKWNEI-CABZTGNLSA-N 0 3 289.722 2.537 20 30 CFEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000850760736 634081774 /nfs/dbraw/zinc/08/17/74/634081774.db2.gz WLZFDWPTNAJUTL-NXEZZACHSA-N 0 3 289.722 2.537 20 30 CFEDHN C[C@@H](CC#N)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782502 634090720 /nfs/dbraw/zinc/09/07/20/634090720.db2.gz NBXGKUMSLNSEEE-UWVGGRQHSA-N 0 3 253.261 2.554 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)CC#N)nc21 ZINC000850850329 634109866 /nfs/dbraw/zinc/10/98/66/634109866.db2.gz UTSFCIUQRKPDKT-GHMZBOCLSA-N 0 3 266.304 2.597 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852779891 634833699 /nfs/dbraw/zinc/83/36/99/634833699.db2.gz GMKXTQWZTGXCHP-DOMZBBRYSA-N 0 3 261.365 2.599 20 30 CFEDHN Cn1c(C=NNCCN2CCCCC2)cc2ccccc21 ZINC000853292138 634960517 /nfs/dbraw/zinc/96/05/17/634960517.db2.gz VIPYFFZYNJYACQ-UHFFFAOYSA-N 0 3 284.407 2.588 20 30 CFEDHN C#CCCCOc1cccnc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000853435284 634998641 /nfs/dbraw/zinc/99/86/41/634998641.db2.gz JMPBSXWTNAEGFK-LSDHHAIUSA-N 0 3 299.418 2.911 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)cn1 ZINC000853437660 634998940 /nfs/dbraw/zinc/99/89/40/634998940.db2.gz RDRCPPIYNFCYHE-VIFPVBQESA-N 0 3 264.760 2.617 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C[C@](C)(CC)CC2=O)C1 ZINC000853537349 635031622 /nfs/dbraw/zinc/03/16/22/635031622.db2.gz VSNBLMDUMGTRNV-GDBMZVCRSA-N 0 3 264.413 2.881 20 30 CFEDHN C=CC[C@H]1CCCN(Cn2cc(-c3ccncn3)cn2)C1 ZINC000853537241 635032078 /nfs/dbraw/zinc/03/20/78/635032078.db2.gz SBICFGNKFHYIND-AWEZNQCLSA-N 0 3 283.379 2.586 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000853598043 635045870 /nfs/dbraw/zinc/04/58/70/635045870.db2.gz IIOAWJMTXGAJDH-ZNMIVQPWSA-N 0 3 274.408 2.774 20 30 CFEDHN C[C@@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000112149116 635286530 /nfs/dbraw/zinc/28/65/30/635286530.db2.gz BYFZOYXEJZJNHR-BBRMVZONSA-N 0 3 298.386 2.633 20 30 CFEDHN C[C@@H]1COC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000925488508 635395040 /nfs/dbraw/zinc/39/50/40/635395040.db2.gz KAJJXSVRSOYWQS-RISCZKNCSA-N 0 3 283.293 2.681 20 30 CFEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000114617593 635866461 /nfs/dbraw/zinc/86/64/61/635866461.db2.gz IYXPBINWALDCKN-TZMCWYRMSA-N 0 3 276.380 2.534 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cncc(OCC)c2)C1 ZINC000857049092 635917273 /nfs/dbraw/zinc/91/72/73/635917273.db2.gz GFARTQGLWFCAAP-CQSZACIVSA-N 0 3 258.365 2.716 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@H]1CC1(Cl)Cl ZINC000857239063 635955190 /nfs/dbraw/zinc/95/51/90/635955190.db2.gz NBTBLLRNNARYPG-UWVGGRQHSA-N 0 3 260.168 2.603 20 30 CFEDHN C=CCCSCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857873567 636044291 /nfs/dbraw/zinc/04/42/91/636044291.db2.gz ZMUUTSXKUPCWFA-GFCCVEGCSA-N 0 3 251.399 2.686 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc(Br)o1 ZINC000858332276 636192939 /nfs/dbraw/zinc/19/29/39/636192939.db2.gz RIRYRPIRPHNQJJ-SNVBAGLBSA-N 0 3 286.169 2.560 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cccc(OC2CC2)c1F ZINC000858334032 636194382 /nfs/dbraw/zinc/19/43/82/636194382.db2.gz GMLGCYJYCQAPAQ-CQSZACIVSA-N 0 3 291.366 2.885 20 30 CFEDHN C#CC[C@H](COC)NCc1cc2ccccc2c(OC)c1 ZINC000858334294 636194585 /nfs/dbraw/zinc/19/45/85/636194585.db2.gz LJXSASKIFPKLOL-MRXNPFEDSA-N 0 3 283.371 2.976 20 30 CFEDHN C#CC[C@H](COC)NCc1cnc(-c2ccco2)s1 ZINC000858334653 636195752 /nfs/dbraw/zinc/19/57/52/636195752.db2.gz FFHLTSXVCGHIGX-LLVKDONJSA-N 0 3 276.361 2.531 20 30 CFEDHN C#CC[C@H](COC)NCc1cccc(SCC)c1 ZINC000858335606 636196114 /nfs/dbraw/zinc/19/61/14/636196114.db2.gz ZXSWTTWFZCQKOP-CQSZACIVSA-N 0 3 263.406 2.927 20 30 CFEDHN C#CCCOC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000858943636 636391000 /nfs/dbraw/zinc/39/10/00/636391000.db2.gz PJOOFUAZYMUQSD-UHFFFAOYSA-N 0 3 288.391 2.519 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000859412345 636559002 /nfs/dbraw/zinc/55/90/02/636559002.db2.gz SHCUCSZZCAQAAJ-ZOWXZIJZSA-N 0 3 294.345 2.815 20 30 CFEDHN C#CCOCCN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859415682 636560474 /nfs/dbraw/zinc/56/04/74/636560474.db2.gz STMJPESAEFUMSP-AWEZNQCLSA-N 0 3 279.330 2.794 20 30 CFEDHN CCN(CCNC(=O)OC(C)(C)C)CCC(C)(C)C#N ZINC000859532069 636591448 /nfs/dbraw/zinc/59/14/48/636591448.db2.gz TXVTWLXJKYIONO-UHFFFAOYSA-N 0 3 283.416 2.773 20 30 CFEDHN C=CCC1(C(=O)OC[C@@]2(C)C[C@H](OC)CN2C)CCCC1 ZINC000861353749 637172615 /nfs/dbraw/zinc/17/26/15/637172615.db2.gz PYSMFCIZLBGKBK-GOEBONIOSA-N 0 3 295.423 2.775 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ncc(CN(C)C)s2)C1 ZINC000862439949 637379361 /nfs/dbraw/zinc/37/93/61/637379361.db2.gz CEIOHRFKJFXXRK-LBPRGKRZSA-N 0 3 265.426 2.603 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000862444209 637385244 /nfs/dbraw/zinc/38/52/44/637385244.db2.gz ZMNIMXHUNVRIEE-CYBMUJFWSA-N 0 3 289.375 2.558 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000862445297 637387513 /nfs/dbraw/zinc/38/75/13/637387513.db2.gz QCVSAIPYZQETBR-JSGCOSHPSA-N 0 3 276.405 2.840 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000862445298 637387768 /nfs/dbraw/zinc/38/77/68/637387768.db2.gz QCVSAIPYZQETBR-OCCSQVGLSA-N 0 3 276.405 2.840 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000862447863 637389625 /nfs/dbraw/zinc/38/96/25/637389625.db2.gz RPHXJWPTCCBXOY-AWEZNQCLSA-N 0 3 283.350 2.857 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862546071 637417909 /nfs/dbraw/zinc/41/79/09/637417909.db2.gz GUANHXSJRDSYOA-CJNGLKHVSA-N 0 3 282.403 2.624 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862546072 637418108 /nfs/dbraw/zinc/41/81/08/637418108.db2.gz GUANHXSJRDSYOA-CZUORRHYSA-N 0 3 282.403 2.624 20 30 CFEDHN CCC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(N)cc1 ZINC000863109011 637558927 /nfs/dbraw/zinc/55/89/27/637558927.db2.gz XHIWDBKMPUDCPM-AWEZNQCLSA-N 0 3 275.396 2.930 20 30 CFEDHN COc1ccc2c(c1F)CCC2=NNc1ccnc(C)c1 ZINC000863159209 637572523 /nfs/dbraw/zinc/57/25/23/637572523.db2.gz HQMYJCXNQNVNCH-UHFFFAOYSA-N 0 3 285.322 2.722 20 30 CFEDHN COc1cc(C)ccc1C(C)=NNc1ccnc(C)c1 ZINC000863158891 637573188 /nfs/dbraw/zinc/57/31/88/637573188.db2.gz WNDSJFLLAIABGC-UHFFFAOYSA-N 0 3 269.348 2.965 20 30 CFEDHN C[C@H]1C[C@@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000863452793 637662830 /nfs/dbraw/zinc/66/28/30/637662830.db2.gz VOHJHCLSWFNVDJ-DZGCQCFKSA-N 0 3 274.364 2.530 20 30 CFEDHN C=CCN(CC[C@H]1CCOC1=O)Cc1cccs1 ZINC000120036955 637960449 /nfs/dbraw/zinc/96/04/49/637960449.db2.gz ZLEIWERMKBHQMW-LBPRGKRZSA-N 0 3 265.378 2.689 20 30 CFEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccc(=O)[nH]c2)c1 ZINC000865462791 638352558 /nfs/dbraw/zinc/35/25/58/638352558.db2.gz BDXDOMBRCGCWCA-OAHLLOKOSA-N 0 3 297.358 2.758 20 30 CFEDHN CN(C)c1ccc(F)cc1CNCC1(CC#N)CC1 ZINC000865550715 638415935 /nfs/dbraw/zinc/41/59/35/638415935.db2.gz HIMKKNGCEWQSQA-UHFFFAOYSA-N 0 3 261.344 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(F)F)cc1F ZINC000865590475 638444800 /nfs/dbraw/zinc/44/48/00/638444800.db2.gz OMCNSMBIKJCITP-OLZOCXBDSA-N 0 3 287.281 2.860 20 30 CFEDHN N#Cc1ccc(CNCCSCCC(F)(F)F)o1 ZINC000865788329 638574440 /nfs/dbraw/zinc/57/44/40/638574440.db2.gz MGDAWKOMBFECCQ-UHFFFAOYSA-N 0 3 278.299 2.926 20 30 CFEDHN CCc1cnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865847577 638609941 /nfs/dbraw/zinc/60/99/41/638609941.db2.gz NUTFEINTGRFUPE-CQSZACIVSA-N 0 3 283.400 2.834 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@@H](NCc1nc3c(s1)CCC3)C2 ZINC000865847193 638610473 /nfs/dbraw/zinc/61/04/73/638610473.db2.gz AIGHFWIFJRMBTK-AWEZNQCLSA-N 0 3 295.411 2.760 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H](O)C2CCCC2)c(F)c1 ZINC000865874456 638634367 /nfs/dbraw/zinc/63/43/67/638634367.db2.gz DECHZOYPVIQPDJ-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN CC(C)N(C)CCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866225222 638773636 /nfs/dbraw/zinc/77/36/36/638773636.db2.gz RJUPPLNAXSUPRH-CYBMUJFWSA-N 0 3 275.396 2.645 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000121862057 638900067 /nfs/dbraw/zinc/90/00/67/638900067.db2.gz CWJYGKIGJXXJND-WDEREUQCSA-N 0 3 299.355 2.594 20 30 CFEDHN Cc1cncc(CNCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000123056468 639594269 /nfs/dbraw/zinc/59/42/69/639594269.db2.gz CXXLVUFMNNEYPE-CQSZACIVSA-N 0 3 281.359 2.971 20 30 CFEDHN CC(C)OCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000078735589 650528326 /nfs/dbraw/zinc/52/83/26/650528326.db2.gz DIQUZJSHEFCVAK-LLVKDONJSA-N 0 3 272.304 2.819 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccco1 ZINC000078878738 650540108 /nfs/dbraw/zinc/54/01/08/650540108.db2.gz VNLJAXSPSBXQTP-CQSZACIVSA-N 0 3 273.332 2.668 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871155852 641219012 /nfs/dbraw/zinc/21/90/12/641219012.db2.gz FIFIGCXBPFCCED-HNNXBMFYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871155853 641220236 /nfs/dbraw/zinc/22/02/36/641220236.db2.gz FIFIGCXBPFCCED-OAHLLOKOSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871157989 641224257 /nfs/dbraw/zinc/22/42/57/641224257.db2.gz JMYMBDBQOMWLEM-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000871188251 641235873 /nfs/dbraw/zinc/23/58/73/641235873.db2.gz NFIVNYTYGMCVEI-GOSISDBHSA-N 0 3 298.430 2.879 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018200959 651267016 /nfs/dbraw/zinc/26/70/16/651267016.db2.gz SAKOHIZWYFWKCK-OKILXGFUSA-N 0 3 264.413 2.674 20 30 CFEDHN C#CCSCCN[C@H](C)c1cccc(O)c1F ZINC000872047224 641580985 /nfs/dbraw/zinc/58/09/85/641580985.db2.gz CZFWMTSUFPGWTQ-SNVBAGLBSA-N 0 3 253.342 2.548 20 30 CFEDHN C[C@@H]1C(N=Nc2ccc(OC(F)F)cc2)CCN1C ZINC000872348773 641762566 /nfs/dbraw/zinc/76/25/66/641762566.db2.gz RKZXTBILZAUYGH-SECBINFHSA-N 0 3 269.295 2.780 20 30 CFEDHN CSCC[C@H](C)NCc1cccc(F)c1C#N ZINC000873055132 641997320 /nfs/dbraw/zinc/99/73/20/641997320.db2.gz DJCACQRHQWLXAE-JTQLQIEISA-N 0 3 252.358 2.929 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000873193224 642058789 /nfs/dbraw/zinc/05/87/89/642058789.db2.gz JZKQRGVPHYOTEW-JKSUJKDBSA-N 0 3 270.332 2.753 20 30 CFEDHN CC[C@H](Cc1cccc(C)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000873497845 642222959 /nfs/dbraw/zinc/22/29/59/642222959.db2.gz PTBIDMUZYNDIRB-ZBFHGGJFSA-N 0 3 298.386 2.551 20 30 CFEDHN N#CC(C(=O)NC1CCCC1)C(=O)C1CCC=CCC1 ZINC000873499224 642224358 /nfs/dbraw/zinc/22/43/58/642224358.db2.gz ZZQQNPVVNYLISK-AWEZNQCLSA-N 0 3 274.364 2.500 20 30 CFEDHN CC[C@@H](C#N)Oc1cccc(CNCc2ccn(C)c2)c1 ZINC000125526064 642664067 /nfs/dbraw/zinc/66/40/67/642664067.db2.gz ZQFWYXGTFLJNJB-INIZCTEOSA-N 0 3 283.375 2.996 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC1(C)C ZINC000125907720 642846729 /nfs/dbraw/zinc/84/67/29/642846729.db2.gz MSMCIQBMBZWINA-GHMZBOCLSA-N 0 3 267.332 2.796 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)ccc1C ZINC000876547121 642915638 /nfs/dbraw/zinc/91/56/38/642915638.db2.gz INQGOLCBOKEQGV-SNVBAGLBSA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)ccc1F ZINC000876549529 642917330 /nfs/dbraw/zinc/91/73/30/642917330.db2.gz FWOMZHZHLWDMLE-JTQLQIEISA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000876557988 642921344 /nfs/dbraw/zinc/92/13/44/642921344.db2.gz NJYYOIRWKNCQPT-NWDGAFQWSA-N 0 3 296.823 2.810 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1ccc(F)cc1 ZINC000876560202 642922959 /nfs/dbraw/zinc/92/29/59/642922959.db2.gz FTPJLPLBKSKWQG-GFCCVEGCSA-N 0 3 270.735 2.649 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](N)CC(=C)Cl ZINC000876561847 642924427 /nfs/dbraw/zinc/92/44/27/642924427.db2.gz MCTCJXZFNRKEHN-LBPRGKRZSA-N 0 3 284.812 2.733 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000876570186 642927513 /nfs/dbraw/zinc/92/75/13/642927513.db2.gz VRQCZWOLKYLAHY-GWCFXTLKSA-N 0 3 284.762 2.815 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN(C)[C@H]1CCSC1 ZINC000876572984 642929371 /nfs/dbraw/zinc/92/93/71/642929371.db2.gz LZMDYTILWLBFPO-AWEZNQCLSA-N 0 3 275.421 2.562 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1ccccc1 ZINC000876580230 642933394 /nfs/dbraw/zinc/93/33/94/642933394.db2.gz RTHHYSHLDQCYDT-GFCCVEGCSA-N 0 3 266.772 2.508 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000876591448 642937021 /nfs/dbraw/zinc/93/70/21/642937021.db2.gz LJCYZYKTYRJKKQ-NEPJUHHUSA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C1CC1)C1CCCCC1 ZINC000876595165 642938011 /nfs/dbraw/zinc/93/80/11/642938011.db2.gz XNUCXXVCCDMUPZ-ZDUSSCGKSA-N 0 3 270.804 2.780 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCC)cc1C ZINC000876610570 642943458 /nfs/dbraw/zinc/94/34/58/642943458.db2.gz XILAASRXVLKSSP-LBPRGKRZSA-N 0 3 282.771 2.802 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000876616467 642945599 /nfs/dbraw/zinc/94/55/99/642945599.db2.gz ODTSOHAKQSRDTQ-OLZOCXBDSA-N 0 3 299.201 2.913 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)CC(=C)Cl ZINC000876614709 642945916 /nfs/dbraw/zinc/94/59/16/642945916.db2.gz SOQKKINLKWZLAN-AWEZNQCLSA-N 0 3 296.773 2.810 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000876618939 642948579 /nfs/dbraw/zinc/94/85/79/642948579.db2.gz JOJUJWYURZCYFJ-ZANVPECISA-N 0 3 284.762 2.515 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)Cc1ccccc1 ZINC000876637158 642953348 /nfs/dbraw/zinc/95/33/48/642953348.db2.gz RPDFIHRUAJLUEN-UONOGXRCSA-N 0 3 280.799 2.594 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1CCC ZINC000876644298 642956323 /nfs/dbraw/zinc/95/63/23/642956323.db2.gz BZSYPXBOUSZKJC-AGIUHOORSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000876647723 642957470 /nfs/dbraw/zinc/95/74/70/642957470.db2.gz OIOJREITVIRSLT-AGIUHOORSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000876647180 642957510 /nfs/dbraw/zinc/95/75/10/642957510.db2.gz IIWZNIWXGKSNNA-FRRDWIJNSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2[C@H]1C ZINC000876649770 642958066 /nfs/dbraw/zinc/95/80/66/642958066.db2.gz FEFPKUMCJSAQNL-RISCZKNCSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000876657426 642960686 /nfs/dbraw/zinc/96/06/86/642960686.db2.gz NIZGYUMVWSBBRC-WXHSDQCUSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000876659704 642961528 /nfs/dbraw/zinc/96/15/28/642961528.db2.gz DVWFJYWOMRSOTL-VOAKCMCISA-N 0 3 270.804 2.636 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000876663487 642962799 /nfs/dbraw/zinc/96/27/99/642962799.db2.gz WFCSADBOMRLHIV-IIMNLJJBSA-N 0 3 278.783 2.506 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000876665050 642963811 /nfs/dbraw/zinc/96/38/11/642963811.db2.gz MQRMLYYNNULNAZ-QWHCGFSZSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCC1CCCC1 ZINC000876669421 642965592 /nfs/dbraw/zinc/96/55/92/642965592.db2.gz LWKPBQRONPDLKQ-ZDUSSCGKSA-N 0 3 272.820 2.933 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCC[C@H]1CC ZINC000876671116 642966291 /nfs/dbraw/zinc/96/62/91/642966291.db2.gz KAXLPUWNYYSPAM-VXGBXAGGSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)CC ZINC000876674673 642968218 /nfs/dbraw/zinc/96/82/18/642968218.db2.gz PVRTUECLOYVRBD-WXHSDQCUSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000876674671 642968492 /nfs/dbraw/zinc/96/84/92/642968492.db2.gz PVRTUECLOYVRBD-KGYLQXTDSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000876679154 642969188 /nfs/dbraw/zinc/96/91/88/642969188.db2.gz MPTJSDCAZROQBR-FZMZJTMJSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)nn1CCCCC ZINC000876687771 642973550 /nfs/dbraw/zinc/97/35/50/642973550.db2.gz RYBDHCOVHNRBHM-LBPRGKRZSA-N 0 3 298.818 2.790 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000876688070 642973786 /nfs/dbraw/zinc/97/37/86/642973786.db2.gz PYDPEHAUUPGRKF-QEJZJMRPSA-N 0 3 292.810 2.861 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC)CCCC ZINC000876697400 642979107 /nfs/dbraw/zinc/97/91/07/642979107.db2.gz CXVRHEGCIKLHFY-VXGBXAGGSA-N 0 3 260.809 2.931 20 30 CFEDHN CCN(Cc1cccc(C#N)n1)C[C@H](O)c1ccc(C)cc1 ZINC000876763349 643000130 /nfs/dbraw/zinc/00/01/30/643000130.db2.gz DKERJHTUDJCQBI-SFHVURJKSA-N 0 3 295.386 2.817 20 30 CFEDHN C#CCCCCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000876767015 643002099 /nfs/dbraw/zinc/00/20/99/643002099.db2.gz YUFOXJDBJFMATD-CVEARBPZSA-N 0 3 299.480 2.858 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC)cc1 ZINC000876877610 643046681 /nfs/dbraw/zinc/04/66/81/643046681.db2.gz DXKYYLONXQSXGM-CYBMUJFWSA-N 0 3 282.771 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1CC ZINC000876885911 643051756 /nfs/dbraw/zinc/05/17/56/643051756.db2.gz RRBUQVRSAWGPNL-GJZGRUSLSA-N 0 3 292.810 2.820 20 30 CFEDHN CC(C)COCCCNCc1cc(C#N)cnc1Cl ZINC000876901574 643058045 /nfs/dbraw/zinc/05/80/45/643058045.db2.gz FGBJUOVJWPTSRL-UHFFFAOYSA-N 0 3 281.787 2.759 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C)(C(C)C)CC1 ZINC000876908126 643059774 /nfs/dbraw/zinc/05/97/74/643059774.db2.gz ZVIFUOVTSQPDPA-LBPRGKRZSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)Cc1ccccc1C ZINC000876910633 643061209 /nfs/dbraw/zinc/06/12/09/643061209.db2.gz IALLYKDDAQUFAL-DZGCQCFKSA-N 0 3 294.826 2.854 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@@H]1CC2CCC1CC2 ZINC000876953141 643077561 /nfs/dbraw/zinc/07/75/61/643077561.db2.gz ZFWMPJQWGWMAKW-JKZOPUQSSA-N 0 3 284.831 2.787 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CC(=C)Cl ZINC000876956852 643080058 /nfs/dbraw/zinc/08/00/58/643080058.db2.gz PDHBBWCCCUYYCM-UPJWGTAASA-N 0 3 270.804 2.707 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877009448 643102191 /nfs/dbraw/zinc/10/21/91/643102191.db2.gz MONBLHWDJQTQDK-UHFFFAOYSA-N 0 3 274.408 2.831 20 30 CFEDHN CC(C)[C@H](O)C(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877122813 643162628 /nfs/dbraw/zinc/16/26/28/643162628.db2.gz ACTMYMZGWWKXQA-ZDUSSCGKSA-N 0 3 295.814 2.739 20 30 CFEDHN C[C@H]1CC(NCc2cc(C#N)cnc2Cl)C[C@H](C)O1 ZINC000877126229 643165112 /nfs/dbraw/zinc/16/51/12/643165112.db2.gz GTIVGCKEMOKEPG-UWVGGRQHSA-N 0 3 279.771 2.652 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccccc1)NCc1cccc(C#N)n1 ZINC000877127445 643165690 /nfs/dbraw/zinc/16/56/90/643165690.db2.gz HFKBTCQUDWJISM-CXAGYDPISA-N 0 3 281.359 2.555 20 30 CFEDHN CCC1(NCc2cc(C#N)cnc2Cl)CCOCC1 ZINC000877164787 643183674 /nfs/dbraw/zinc/18/36/74/643183674.db2.gz VFZXYTAOXSXNIJ-UHFFFAOYSA-N 0 3 279.771 2.655 20 30 CFEDHN C[C@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCCOC1 ZINC000877182791 643193705 /nfs/dbraw/zinc/19/37/05/643193705.db2.gz SHIZTHMQTYQEKP-JQWIXIFHSA-N 0 3 279.771 2.511 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245541053 650821547 /nfs/dbraw/zinc/82/15/47/650821547.db2.gz NQMPIPIXIFMSEA-CZUORRHYSA-N 0 3 274.364 2.588 20 30 CFEDHN CCOC(=O)N1CCC(C)(CN[C@H](CC)CC#N)CC1 ZINC000877365088 643247533 /nfs/dbraw/zinc/24/75/33/643247533.db2.gz OJPCRAXLTNLMAE-CYBMUJFWSA-N 0 3 281.400 2.527 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1ccc(F)c(C)c1 ZINC000877453561 643276791 /nfs/dbraw/zinc/27/67/91/643276791.db2.gz BOVFLCALYDVZDI-HNNXBMFYSA-N 0 3 291.370 2.898 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)cn1)C1CCCCC1 ZINC000877460392 643282111 /nfs/dbraw/zinc/28/21/11/643282111.db2.gz SPLZLPNNNLBMBK-MRXNPFEDSA-N 0 3 273.380 2.638 20 30 CFEDHN C[C@@H]1CCSCCN1Cc1cc(C#N)ccc1N(C)C ZINC000877473537 643291540 /nfs/dbraw/zinc/29/15/40/643291540.db2.gz IXOOLHDLFJKBCK-CYBMUJFWSA-N 0 3 289.448 2.952 20 30 CFEDHN CC(C)[C@H](NCc1cccc(C#N)n1)[C@@H](O)c1ccccc1 ZINC000877488728 643303635 /nfs/dbraw/zinc/30/36/35/643303635.db2.gz HTNFMGOJAKBLTR-ROUUACIJSA-N 0 3 295.386 2.801 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877496941 643310322 /nfs/dbraw/zinc/31/03/22/643310322.db2.gz ZKQVVMLQIHZMDG-CZUORRHYSA-N 0 3 261.365 2.771 20 30 CFEDHN C#CCCCCCCN[C@@H](c1nncn1C)C(C)C ZINC000877515639 643320972 /nfs/dbraw/zinc/32/09/72/643320972.db2.gz KVGMNIFERVVKPK-CQSZACIVSA-N 0 3 262.401 2.686 20 30 CFEDHN CCOC1CC(N(C)Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877529661 643332311 /nfs/dbraw/zinc/33/23/11/643332311.db2.gz KJAIDDNJQBXAAL-UHFFFAOYSA-N 0 3 287.407 2.624 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@@H]1C1CC1 ZINC000877562146 643361662 /nfs/dbraw/zinc/36/16/62/643361662.db2.gz QFGDLUBIUYKRCT-MRXNPFEDSA-N 0 3 255.365 2.609 20 30 CFEDHN COC1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877582575 643377644 /nfs/dbraw/zinc/37/76/44/643377644.db2.gz AVCVZLFTIQFTMS-UHFFFAOYSA-N 0 3 279.771 2.654 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)CC(F)F ZINC000877603764 643392320 /nfs/dbraw/zinc/39/23/20/643392320.db2.gz BPKPZFCLRURCNM-QMMMGPOBSA-N 0 3 273.714 2.988 20 30 CFEDHN C#CC1CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000877607161 643394404 /nfs/dbraw/zinc/39/44/04/643394404.db2.gz ZKCSVGFRWWBUPQ-UHFFFAOYSA-N 0 3 250.292 2.864 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCCCCO)C1 ZINC000877617516 643403778 /nfs/dbraw/zinc/40/37/78/643403778.db2.gz QBUSWPLTYAVPIB-MRXNPFEDSA-N 0 3 287.403 2.683 20 30 CFEDHN CCOC(=O)[C@@]1(F)CN(C[C@@H](C)CCC#N)CC12CCC2 ZINC000877622871 643408995 /nfs/dbraw/zinc/40/89/95/643408995.db2.gz VCYNOOIISPEWEG-BBRMVZONSA-N 0 3 296.386 2.684 20 30 CFEDHN C#CCCCCCCN1CCc2c(cccc2C(N)=O)C1 ZINC000877642460 643426875 /nfs/dbraw/zinc/42/68/75/643426875.db2.gz LWSPRYAFFZQLKR-UHFFFAOYSA-N 0 3 284.403 2.727 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccnn2CC2CCC2)C1 ZINC000877651540 643431983 /nfs/dbraw/zinc/43/19/83/643431983.db2.gz XPJRCOZVGVFJSO-CQSZACIVSA-N 0 3 257.381 2.528 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CC(C)(C)C2)cc1 ZINC000877717072 643481080 /nfs/dbraw/zinc/48/10/80/643481080.db2.gz FIMNPVJCQZVCAM-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@@H]3C2)c(F)c1 ZINC000877737821 643499340 /nfs/dbraw/zinc/49/93/40/643499340.db2.gz LDIHHQVWCVQAHA-KBPBESRZSA-N 0 3 276.380 2.882 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cc(C3CC3)no1)C2 ZINC000877766845 643545812 /nfs/dbraw/zinc/54/58/12/643545812.db2.gz NNDLAGLWYBMKFK-OAHLLOKOSA-N 0 3 279.343 2.681 20 30 CFEDHN C#CCCCCCN1CCN(c2cc(C)ccn2)CC1 ZINC000878198820 643791398 /nfs/dbraw/zinc/79/13/98/643791398.db2.gz UJDLHESQGNUAGF-UHFFFAOYSA-N 0 3 271.408 2.706 20 30 CFEDHN C=CC[C@@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000878252851 643809546 /nfs/dbraw/zinc/80/95/46/643809546.db2.gz WVWWDIWPUOTVCQ-NVXWUHKLSA-N 0 3 269.392 2.833 20 30 CFEDHN C=CC[C@H](C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000878390627 643870033 /nfs/dbraw/zinc/87/00/33/643870033.db2.gz VQNHDDHUUNTUOS-YOEHRIQHSA-N 0 3 287.382 2.973 20 30 CFEDHN N#CCC1(CN2CCC(O)(c3ccccc3)CC2)CC1 ZINC000878438964 643895221 /nfs/dbraw/zinc/89/52/21/643895221.db2.gz QDWQXAIQFYYIFY-UHFFFAOYSA-N 0 3 270.376 2.664 20 30 CFEDHN C#CCCCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000878665697 643983624 /nfs/dbraw/zinc/98/36/24/643983624.db2.gz LLUGRKGXJHXCOL-MSOLQXFVSA-N 0 3 289.394 2.980 20 30 CFEDHN COC(=O)C1(C#N)CCN(C[C@@H](C)CC(C)(C)C)CC1 ZINC000878675872 643987400 /nfs/dbraw/zinc/98/74/00/643987400.db2.gz LRHGLMUEQOMQFX-ZDUSSCGKSA-N 0 3 280.412 2.837 20 30 CFEDHN C[C@@H]1CN(CC[C@@H]2CCCC2(F)F)C[C@@H](C)N1CC#N ZINC000878771247 644021335 /nfs/dbraw/zinc/02/13/35/644021335.db2.gz GVMXCRRUFRWPEN-MCIONIFRSA-N 0 3 285.382 2.730 20 30 CFEDHN COc1ccc(N(C)CCN(C)CC2(CC#N)CC2)cc1 ZINC000878804991 644033322 /nfs/dbraw/zinc/03/33/22/644033322.db2.gz FLHHKNYTVADBOD-UHFFFAOYSA-N 0 3 287.407 2.757 20 30 CFEDHN C=CC[C@H]1CCN(Cc2nnc(-c3ccccc3O)o2)C1 ZINC000879032132 644118916 /nfs/dbraw/zinc/11/89/16/644118916.db2.gz LSMHKYAJIVIYFO-LBPRGKRZSA-N 0 3 285.347 2.840 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H](O)c2ccccc2)nc1 ZINC000879241623 644187367 /nfs/dbraw/zinc/18/73/67/644187367.db2.gz AMJFHNGUMWKNLH-ZWKOTPCHSA-N 0 3 293.370 2.651 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000879350463 644240977 /nfs/dbraw/zinc/24/09/77/644240977.db2.gz HYNWOXDXKYOJHB-MRXNPFEDSA-N 0 3 298.430 2.991 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000879350462 644241297 /nfs/dbraw/zinc/24/12/97/644241297.db2.gz HYNWOXDXKYOJHB-INIZCTEOSA-N 0 3 298.430 2.991 20 30 CFEDHN COc1ccc(CN(C)CCc2cccc(C#N)c2)nc1 ZINC000879432435 644268889 /nfs/dbraw/zinc/26/88/89/644268889.db2.gz AEFLEABSCGOYRA-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN COC(=O)C[C@@](C)(NCc1cc(C#N)ccc1F)C1CC1 ZINC000879438588 644272494 /nfs/dbraw/zinc/27/24/94/644272494.db2.gz JYSQDOYRBFAXBR-MRXNPFEDSA-N 0 3 290.338 2.519 20 30 CFEDHN COC(=O)c1cccc(CN2C[C@@H]3CC=CC[C@@H]3C2)c1C#N ZINC000879530244 644308747 /nfs/dbraw/zinc/30/87/47/644308747.db2.gz QOWSGZHZEDCBNJ-OKILXGFUSA-N 0 3 296.370 2.743 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000879963234 644478112 /nfs/dbraw/zinc/47/81/12/644478112.db2.gz HPAQQZIPHNOTTA-OAHLLOKOSA-N 0 3 275.367 2.660 20 30 CFEDHN COC(=O)CC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000880041542 644510555 /nfs/dbraw/zinc/51/05/55/644510555.db2.gz MKIRVSGPSFNSPF-KRWDZBQOSA-N 0 3 285.387 2.703 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098248 644531716 /nfs/dbraw/zinc/53/17/16/644531716.db2.gz JFVOUZIJZHKZQX-MWLCHTKSSA-N 0 3 274.286 2.688 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CF)C1 ZINC000880237641 644600824 /nfs/dbraw/zinc/60/08/24/644600824.db2.gz ZGANXJXUBOLNQT-ZDUSSCGKSA-N 0 3 262.328 2.748 20 30 CFEDHN CC(=O)[C@](C#N)(CCN1CC[C@H](CF)C1)c1ccccc1 ZINC000880300706 644641698 /nfs/dbraw/zinc/64/16/98/644641698.db2.gz HPXYZWGENHKCLO-NVXWUHKLSA-N 0 3 288.366 2.718 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@H](c2nccs2)C1 ZINC000880317573 644650364 /nfs/dbraw/zinc/65/03/64/644650364.db2.gz UODLFSNRHKRNEL-AWEZNQCLSA-N 0 3 299.399 2.883 20 30 CFEDHN C#CCC1(O)CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC000880479487 644730792 /nfs/dbraw/zinc/73/07/92/644730792.db2.gz VUEOCRZKKCEZHE-CYBMUJFWSA-N 0 3 261.340 2.737 20 30 CFEDHN Cc1ccc(NC[C@@H]2CCN2C(C)(C)C)c(C#N)n1 ZINC000882576069 645373320 /nfs/dbraw/zinc/37/33/20/645373320.db2.gz RZHDKQKBIFFDDU-LBPRGKRZSA-N 0 3 258.369 2.546 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000130654285 645544625 /nfs/dbraw/zinc/54/46/25/645544625.db2.gz WKGYUMAWFTZQCI-HNNXBMFYSA-N 0 3 299.418 2.505 20 30 CFEDHN C#CC[C@H](CO)NCc1cc2cc(C)c(C)cc2o1 ZINC000883123902 645613431 /nfs/dbraw/zinc/61/34/31/645613431.db2.gz OQVJHIPKODIXIG-CQSZACIVSA-N 0 3 257.333 2.523 20 30 CFEDHN C#CC[C@H](CO)NCc1ccccc1OCc1ccccc1 ZINC000883122865 645613540 /nfs/dbraw/zinc/61/35/40/645613540.db2.gz CIZSFGOHCZGXJI-GOSISDBHSA-N 0 3 295.382 2.739 20 30 CFEDHN C=CCC[C@H](NCc1nccn1C)[C@@H]1Cc2ccccc2O1 ZINC000883185000 645647251 /nfs/dbraw/zinc/64/72/51/645647251.db2.gz LGGUJOIERIJIQW-RDJZCZTQSA-N 0 3 297.402 2.848 20 30 CFEDHN C=CCC[C@H](NCc1cc[nH]n1)[C@@H]1Cc2ccccc2O1 ZINC000883187420 645648837 /nfs/dbraw/zinc/64/88/37/645648837.db2.gz NQPVETDQUOMPJK-RDJZCZTQSA-N 0 3 283.375 2.838 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccccc1)C1CCC1 ZINC000883215616 645669953 /nfs/dbraw/zinc/66/99/53/645669953.db2.gz BWECDFMKBJWEDY-INIZCTEOSA-N 0 3 293.432 2.718 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(-c3ccccn3)n2)C1 ZINC000883293636 645725856 /nfs/dbraw/zinc/72/58/56/645725856.db2.gz APBBQBIGMKYRCM-KGLIPLIRSA-N 0 3 293.374 2.711 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000883391581 645790133 /nfs/dbraw/zinc/79/01/33/645790133.db2.gz NWDZMABXTGPZEY-ZYHUDNBSSA-N 0 3 253.317 2.509 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H]1CCc2ccc(Cl)nc21 ZINC000883391181 645790492 /nfs/dbraw/zinc/79/04/92/645790492.db2.gz FCWHSWUCQHMNAR-NEPJUHHUSA-N 0 3 266.772 2.639 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883392270 645791494 /nfs/dbraw/zinc/79/14/94/645791494.db2.gz DLXRUIYDFNHDRX-NWDGAFQWSA-N 0 3 294.351 2.581 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000883391877 645791499 /nfs/dbraw/zinc/79/14/99/645791499.db2.gz UULCEAYNLDCQLD-CABCVRRESA-N 0 3 283.799 2.944 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883392269 645791513 /nfs/dbraw/zinc/79/15/13/645791513.db2.gz DLXRUIYDFNHDRX-NEPJUHHUSA-N 0 3 294.351 2.581 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1ccc(Cl)cc1F ZINC000883400459 645796511 /nfs/dbraw/zinc/79/65/11/645796511.db2.gz NDHGPFWORATOMO-LBPRGKRZSA-N 0 3 257.736 2.896 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cnc(C2CCC2)s1 ZINC000883400652 645797347 /nfs/dbraw/zinc/79/73/47/645797347.db2.gz RVRHWEXPHBJEJQ-GFCCVEGCSA-N 0 3 266.410 2.827 20 30 CFEDHN C=CCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000132535010 645929801 /nfs/dbraw/zinc/92/98/01/645929801.db2.gz KYHPZBCXJMHQOI-OAHLLOKOSA-N 0 3 274.364 2.674 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(CC)cc2)CC1 ZINC001006358211 646004457 /nfs/dbraw/zinc/00/44/57/646004457.db2.gz VWXHVAAARJDALS-UHFFFAOYSA-N 0 3 286.419 2.971 20 30 CFEDHN C=CC[C@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481242 646695319 /nfs/dbraw/zinc/69/53/19/646695319.db2.gz LXCUUQYICJRCNV-RYUDHWBXSA-N 0 3 267.369 2.531 20 30 CFEDHN CN(Cc1ccc(F)c(F)c1)C[C@H](O)CC1(C#N)CCC1 ZINC000885952193 646780289 /nfs/dbraw/zinc/78/02/89/646780289.db2.gz ZAVKQSDRGMISPW-CYBMUJFWSA-N 0 3 294.345 2.841 20 30 CFEDHN Cc1cc([C@@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)on1 ZINC000885958823 646784311 /nfs/dbraw/zinc/78/43/11/646784311.db2.gz MEVIDYSIJMMXNR-KGLIPLIRSA-N 0 3 289.379 2.565 20 30 CFEDHN C[C@@H](c1ccncc1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886091583 646863784 /nfs/dbraw/zinc/86/37/84/646863784.db2.gz DHYVFYUEVJXDHR-DZGCQCFKSA-N 0 3 273.380 2.519 20 30 CFEDHN C[C@H](c1cccnc1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886092534 646863893 /nfs/dbraw/zinc/86/38/93/646863893.db2.gz ZTWJDXJLHYUTCG-UKRRQHHQSA-N 0 3 273.380 2.519 20 30 CFEDHN C=C[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000136662198 646867083 /nfs/dbraw/zinc/86/70/83/646867083.db2.gz YMQPWCLAFNKWDW-UKRRQHHQSA-N 0 3 284.359 2.580 20 30 CFEDHN C=CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137060516 646872089 /nfs/dbraw/zinc/87/20/89/646872089.db2.gz CYSDSDYRYUKCAM-OAHLLOKOSA-N 0 3 276.336 2.526 20 30 CFEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886125010 646883219 /nfs/dbraw/zinc/88/32/19/646883219.db2.gz HBUILKBHWLSWOA-CHWSQXEVSA-N 0 3 293.436 2.937 20 30 CFEDHN C#CCN1CCC[C@@H](NCc2cscc2Cl)C1 ZINC000886211536 646923874 /nfs/dbraw/zinc/92/38/74/646923874.db2.gz ROCPZCGSJGUWGW-GFCCVEGCSA-N 0 3 268.813 2.589 20 30 CFEDHN CSc1ccc(CNCC2=CCCOC2)cc1C#N ZINC000886277681 646948394 /nfs/dbraw/zinc/94/83/94/646948394.db2.gz ZGQLEZPLFMAJNG-UHFFFAOYSA-N 0 3 274.389 2.716 20 30 CFEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000886353408 646982901 /nfs/dbraw/zinc/98/29/01/646982901.db2.gz IPJCEAFHKDZPBU-GJZGRUSLSA-N 0 3 270.376 2.667 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000886355784 646983836 /nfs/dbraw/zinc/98/38/36/646983836.db2.gz NOPPOHQICVMSBA-HZPDHXFCSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000886355008 646983924 /nfs/dbraw/zinc/98/39/24/646983924.db2.gz APFMMRGORPHYSW-HOTGVXAUSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000886356006 646984309 /nfs/dbraw/zinc/98/43/09/646984309.db2.gz ROUROFZWQOUTOW-HUUCEWRRSA-N 0 3 284.403 2.921 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000886355358 646984674 /nfs/dbraw/zinc/98/46/74/646984674.db2.gz HEWTVHVCWOVACK-QAPCUYQASA-N 0 3 296.414 2.525 20 30 CFEDHN C#CCC1(NCc2cc(F)ccc2F)CCOCC1 ZINC000886381574 646993326 /nfs/dbraw/zinc/99/33/26/646993326.db2.gz IUUFDCJUTGUYAF-UHFFFAOYSA-N 0 3 265.303 2.627 20 30 CFEDHN Cc1ccccc1[C@H](CO)N(C)CC1(CC#N)CC1 ZINC000886441804 647002812 /nfs/dbraw/zinc/00/28/12/647002812.db2.gz HJWIMCURQWSYFR-HNNXBMFYSA-N 0 3 258.365 2.654 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)C1CCN(C)CC1 ZINC000886575944 647052511 /nfs/dbraw/zinc/05/25/11/647052511.db2.gz PYBWMJGUFGKBSS-DOTOQJQBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)/C=C/C1CCCCC1)C1CCN(C)CC1 ZINC000886581363 647054228 /nfs/dbraw/zinc/05/42/28/647054228.db2.gz UXIFRPCKZMTOMJ-MDZDMXLPSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C(=O)[C@@H](CC)c1ccccc1)C1CCN(C)CC1 ZINC000886585122 647055655 /nfs/dbraw/zinc/05/56/55/647055655.db2.gz IVGVNRGEXRXRID-SFHVURJKSA-N 0 3 298.430 2.736 20 30 CFEDHN C#CCN1CCC[C@@H](N[C@H](C)c2ccc(CC)o2)C1 ZINC000886661315 647095351 /nfs/dbraw/zinc/09/53/51/647095351.db2.gz RIBDSGDNILTTQO-ZIAGYGMSSA-N 0 3 260.381 2.590 20 30 CFEDHN C=CCC1(O)CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000886776973 647133950 /nfs/dbraw/zinc/13/39/50/647133950.db2.gz UXPGXDQWZHLJKW-UHFFFAOYSA-N 0 3 287.403 2.971 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822287 647153359 /nfs/dbraw/zinc/15/33/59/647153359.db2.gz OMZMPNJSLFVFQF-SJORKVTESA-N 0 3 255.361 2.539 20 30 CFEDHN CN(CCc1ccc2c(c1)OCO2)Cc1ccc(C#N)o1 ZINC000887093222 647209352 /nfs/dbraw/zinc/20/93/52/647209352.db2.gz DPWPUDUNJBIWIL-UHFFFAOYSA-N 0 3 284.315 2.554 20 30 CFEDHN COC(=O)c1cccc(CNC2(C3CC3)CCC2)c1C#N ZINC000887147676 647231801 /nfs/dbraw/zinc/23/18/01/647231801.db2.gz XMWYXZMJXNDPTO-UHFFFAOYSA-N 0 3 284.359 2.767 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1nonc1C)C(C)C ZINC000924643998 648017232 /nfs/dbraw/zinc/01/72/32/648017232.db2.gz SBHDRLIKMTYGRJ-DZGCQCFKSA-N 0 3 292.427 2.727 20 30 CFEDHN CCNC(=O)c1cccc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000924817368 648053670 /nfs/dbraw/zinc/05/36/70/648053670.db2.gz KXRIYCJXHSGPPS-ZDUSSCGKSA-N 0 3 287.407 2.854 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cccc(Br)n1 ZINC000925453124 648171651 /nfs/dbraw/zinc/17/16/51/648171651.db2.gz GYTVEKUUJKSTFT-JTQLQIEISA-N 0 3 299.237 2.861 20 30 CFEDHN C=CCCOCCN[C@@H](CC)c1cccc(OC)n1 ZINC000925632232 648250945 /nfs/dbraw/zinc/25/09/45/648250945.db2.gz PSXVHNJDYGQFQI-ZDUSSCGKSA-N 0 3 264.369 2.724 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926532238 648520163 /nfs/dbraw/zinc/52/01/63/648520163.db2.gz IWXAEPZBVCGTSU-KMUNFCNLSA-N 0 3 265.328 2.916 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](CC)c1cccc(OC)n1 ZINC000926530084 648520092 /nfs/dbraw/zinc/52/00/92/648520092.db2.gz DDRIEINGDMOGMN-YUELXQCFSA-N 0 3 276.380 2.865 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000926615851 648551864 /nfs/dbraw/zinc/55/18/64/648551864.db2.gz RYDTVXUPABPJIY-KBPBESRZSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H]2[C@@H]3CCCC[C@@H]3C2(C)C)nn1 ZINC000926615893 648551927 /nfs/dbraw/zinc/55/19/27/648551927.db2.gz SQHWMKHTCSBVNP-QLFBSQMISA-N 0 3 274.412 2.769 20 30 CFEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)n1 ZINC000926615253 648552447 /nfs/dbraw/zinc/55/24/47/648552447.db2.gz NQFFVROGKBBBPX-YNEHKIRRSA-N 0 3 259.353 2.823 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCc2ccccc2NC1=O ZINC000926664624 648567114 /nfs/dbraw/zinc/56/71/14/648567114.db2.gz WLMQHKAPAHBUIG-WFASDCNBSA-N 0 3 285.391 2.858 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cnc(C(F)(F)F)nc1 ZINC000926676292 648571030 /nfs/dbraw/zinc/57/10/30/648571030.db2.gz NBVQDLXCISWKOF-VIFPVBQESA-N 0 3 286.301 2.913 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3c2OCC3)C1 ZINC000927092028 648708939 /nfs/dbraw/zinc/70/89/39/648708939.db2.gz XMMYCNGXBUHWMN-IUODEOHRSA-N 0 3 256.349 2.793 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928405348 648908681 /nfs/dbraw/zinc/90/86/81/648908681.db2.gz AYGQBVXJSSUCGE-MRXNPFEDSA-N 0 3 285.391 2.956 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1 ZINC000928445132 648912463 /nfs/dbraw/zinc/91/24/63/648912463.db2.gz XDCVBQAGUFDUKI-XIRDDKMYSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC000928445131 648912616 /nfs/dbraw/zinc/91/26/16/648912616.db2.gz XDCVBQAGUFDUKI-PVAVHDDUSA-N 0 3 286.419 2.945 20 30 CFEDHN CC(C)N1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929202148 649001298 /nfs/dbraw/zinc/00/12/98/649001298.db2.gz APJDXTIXQYPFLY-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1C(=O)OCC ZINC000929364776 649039202 /nfs/dbraw/zinc/03/92/02/649039202.db2.gz RLBFTKJJMBSTJE-DLBZAZTESA-N 0 3 298.386 2.745 20 30 CFEDHN C=CC1CCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000929617790 649079536 /nfs/dbraw/zinc/07/95/36/649079536.db2.gz KJWDMKZBPLLGTR-RYUDHWBXSA-N 0 3 263.303 2.994 20 30 CFEDHN CCOC(=O)CN(CC1CCC(C#N)CC1)C(C)(C)C ZINC000929856329 649140536 /nfs/dbraw/zinc/14/05/36/649140536.db2.gz JIIZRVVKZISMGX-UHFFFAOYSA-N 0 3 280.412 2.980 20 30 CFEDHN COc1ccc2c(c1)CCN(Cc1cncc(C#N)c1)CC2 ZINC000930115508 649187569 /nfs/dbraw/zinc/18/75/69/649187569.db2.gz VAGXUMCUMWBGKH-UHFFFAOYSA-N 0 3 293.370 2.563 20 30 CFEDHN C[C@@H]1CCN(Cc2cncc(C#N)c2)CC12CCC2 ZINC000930171153 649197553 /nfs/dbraw/zinc/19/75/53/649197553.db2.gz MHCXCQOTRFOMPJ-CYBMUJFWSA-N 0 3 255.365 2.965 20 30 CFEDHN CC[C@@](O)(CN[C@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000930215155 649208121 /nfs/dbraw/zinc/20/81/21/649208121.db2.gz ZTHOYXUQMKAKRV-ZWNOBZJWSA-N 0 3 286.297 2.912 20 30 CFEDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1C[C@H](O)CC#N ZINC000930448947 649249958 /nfs/dbraw/zinc/24/99/58/649249958.db2.gz YHNZDBRBQHXOHE-LZWOXQAQSA-N 0 3 288.391 2.743 20 30 CFEDHN CN(CCCN(C)Cc1cncc(C#N)c1)Cc1ccco1 ZINC000930475159 649256039 /nfs/dbraw/zinc/25/60/39/649256039.db2.gz FTOWCHFXCUBVOO-UHFFFAOYSA-N 0 3 298.390 2.500 20 30 CFEDHN CCc1nocc1CN(C)CC1CCC(C#N)CC1 ZINC000930581676 649280376 /nfs/dbraw/zinc/28/03/76/649280376.db2.gz XXNAOLCCBQFYNK-UHFFFAOYSA-N 0 3 261.369 2.999 20 30 CFEDHN C#Cc1ccc(NC(=O)CCN2CCC[C@](C)(F)C2)cc1 ZINC000930596797 649283875 /nfs/dbraw/zinc/28/38/75/649283875.db2.gz XJYYDCXQPBXRKE-KRWDZBQOSA-N 0 3 288.366 2.821 20 30 CFEDHN C[C@@H](NCCCCC1(C#N)CCC1)c1ccn(C)n1 ZINC000930706373 649311197 /nfs/dbraw/zinc/31/11/97/649311197.db2.gz YLQUGQLCTGFFET-CYBMUJFWSA-N 0 3 260.385 2.935 20 30 CFEDHN N#CCC1(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)CC1 ZINC000931921554 649510719 /nfs/dbraw/zinc/51/07/19/649510719.db2.gz HMLKCIMXZWFHJP-WBVHZDCISA-N 0 3 252.361 2.954 20 30 CFEDHN Cc1nc([C@H]2CCN(Cc3c(C)cc(C#N)cc3C)C2)no1 ZINC000931936626 649515861 /nfs/dbraw/zinc/51/58/61/649515861.db2.gz QFZKQNMQSAHHIG-HNNXBMFYSA-N 0 3 296.374 2.856 20 30 CFEDHN Cc1nc([C@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000931949163 649518077 /nfs/dbraw/zinc/51/80/77/649518077.db2.gz NWMIBCPYASEZCI-ABAIWWIYSA-N 0 3 282.347 2.800 20 30 CFEDHN N#CCCCN1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932038532 649527322 /nfs/dbraw/zinc/52/73/22/649527322.db2.gz LDKXMILYEUFBCG-UHFFFAOYSA-N 0 3 286.375 2.734 20 30 CFEDHN Cn1ccc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000932131648 649545698 /nfs/dbraw/zinc/54/56/98/649545698.db2.gz ZOJGTZVCMFQQQA-INIZCTEOSA-N 0 3 280.375 2.671 20 30 CFEDHN Cn1nccc1[C@H]1CCCN1CCCC(C)(C)C#N ZINC000932268867 649572108 /nfs/dbraw/zinc/57/21/08/649572108.db2.gz QABGGCLZKZNCLO-CQSZACIVSA-N 0 3 260.385 2.887 20 30 CFEDHN N#Cc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000932817045 649645832 /nfs/dbraw/zinc/64/58/32/649645832.db2.gz CHSDMJKPNPKJRU-UHFFFAOYSA-N 0 3 270.376 2.685 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000933168167 649676879 /nfs/dbraw/zinc/67/68/79/649676879.db2.gz DFQAJDOBUPOBLS-UKRRQHHQSA-N 0 3 286.375 2.640 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc(C)cc2F)CCC1 ZINC000933303635 649686289 /nfs/dbraw/zinc/68/62/89/649686289.db2.gz QFKAOPAOPJMNSO-UHFFFAOYSA-N 0 3 274.339 2.608 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000933632021 649708902 /nfs/dbraw/zinc/70/89/02/649708902.db2.gz DQZDLRIKAIQAMH-HNNXBMFYSA-N 0 3 290.794 2.558 20 30 CFEDHN C#CCCCCCCN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933672883 649712404 /nfs/dbraw/zinc/71/24/04/649712404.db2.gz FJRMZJLDQQYPNY-IRXDYDNUSA-N 0 3 279.424 2.698 20 30 CFEDHN C#CCCCCCCN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933672882 649712601 /nfs/dbraw/zinc/71/26/01/649712601.db2.gz FJRMZJLDQQYPNY-IAGOWNOFSA-N 0 3 279.424 2.698 20 30 CFEDHN CN(CC[C@@H]1COC(C)(C)O1)Cc1cc(C#N)cs1 ZINC000933771959 649720904 /nfs/dbraw/zinc/72/09/04/649720904.db2.gz WGLROYQSDOIUMV-GFCCVEGCSA-N 0 3 280.393 2.593 20 30 CFEDHN N#CC1(CCN2CCC[C@@H]2C2OCCO2)CCCCC1 ZINC000933903568 649729856 /nfs/dbraw/zinc/72/98/56/649729856.db2.gz SIWPYPSQUZNMOG-CQSZACIVSA-N 0 3 278.396 2.688 20 30 CFEDHN C[C@@H](Cc1cccnc1)NCc1ccccc1C#N ZINC000934234489 649765095 /nfs/dbraw/zinc/76/50/95/649765095.db2.gz PIRLYBUURHJFSG-ZDUSSCGKSA-N 0 3 251.333 2.674 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCN1c1ccccc1 ZINC000934323453 649774040 /nfs/dbraw/zinc/77/40/40/649774040.db2.gz YWETYQNCZMXDEV-HLLBOEOZSA-N 0 3 269.392 2.889 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCOC23CCCC3)c1F ZINC000934384426 649782217 /nfs/dbraw/zinc/78/22/17/649782217.db2.gz DLIWMUXOTPQOFR-AWEZNQCLSA-N 0 3 274.339 2.889 20 30 CFEDHN C=CC[C@H]1CCN1[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000934458842 649788024 /nfs/dbraw/zinc/78/80/24/649788024.db2.gz BGINQSUTZCTKLH-IRXDYDNUSA-N 0 3 284.403 2.828 20 30 CFEDHN C=CC[C@@H]1CCN1CCCn1c2ccccc2[nH]c1=O ZINC000934466787 649789234 /nfs/dbraw/zinc/78/92/34/649789234.db2.gz NHDOAHKCIKEIHI-CYBMUJFWSA-N 0 3 271.364 2.782 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2Cc3ncccc3N3CCC[C@H]3C2)C1 ZINC000934492965 649794440 /nfs/dbraw/zinc/79/44/40/649794440.db2.gz GGFNAFAFDJHFGD-ILXRZTDVSA-N 0 3 282.391 2.558 20 30 CFEDHN C[C@H](CCC#N)N1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934493058 649794721 /nfs/dbraw/zinc/79/47/21/649794721.db2.gz HOGDEHVLYZDDLG-KGLIPLIRSA-N 0 3 270.380 2.558 20 30 CFEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000934648904 649811545 /nfs/dbraw/zinc/81/15/45/649811545.db2.gz HABGDIIYGONOMZ-LBPRGKRZSA-N 0 3 265.357 2.598 20 30 CFEDHN C=CCCCN(CC)CC(=O)N1CCC[C@@H](C)C1 ZINC000934651742 649812557 /nfs/dbraw/zinc/81/25/57/649812557.db2.gz TWPNUDMCZXXSIB-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN C[C@]12CSC[C@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC000934779034 649830062 /nfs/dbraw/zinc/83/00/62/649830062.db2.gz QIIILFYCVBRDGG-HIFRSBDPSA-N 0 3 276.380 2.882 20 30 CFEDHN N#CCC[C@H](C#N)CN1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934842653 649840968 /nfs/dbraw/zinc/84/09/68/649840968.db2.gz NMYCWUXMTYXREQ-OAGGEKHMSA-N 0 3 275.396 2.569 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001007388110 651134276 /nfs/dbraw/zinc/13/42/76/651134276.db2.gz QXKGZHBOEARPTM-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007504360 651135813 /nfs/dbraw/zinc/13/58/13/651135813.db2.gz WNEMDAIAPUTXHH-CYBMUJFWSA-N 0 3 294.345 2.735 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001007594543 651136723 /nfs/dbraw/zinc/13/67/23/651136723.db2.gz HUKMCZCIHDYFFR-CYBMUJFWSA-N 0 3 293.436 2.530 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008203502 651143642 /nfs/dbraw/zinc/14/36/42/651143642.db2.gz RDWHEEKGHWTOQS-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001008619338 651151667 /nfs/dbraw/zinc/15/16/67/651151667.db2.gz BUFUTHOMESNIIK-QGZVFWFLSA-N 0 3 282.387 2.547 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001009666167 651163446 /nfs/dbraw/zinc/16/34/46/651163446.db2.gz DGOBOTLUDDDOBT-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014514901 651186724 /nfs/dbraw/zinc/18/67/24/651186724.db2.gz BCDRSSCJVMLTHU-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001014659434 651190194 /nfs/dbraw/zinc/19/01/94/651190194.db2.gz NLJDPAGHLCJQNN-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015272056 651198636 /nfs/dbraw/zinc/19/86/36/651198636.db2.gz QUMULSQPHLBRBV-QZTJIDSGSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001016036614 651221435 /nfs/dbraw/zinc/22/14/35/651221435.db2.gz GZBYDVQHJJVWCP-GDBMZVCRSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016074565 651223369 /nfs/dbraw/zinc/22/33/69/651223369.db2.gz IVPSEMUAHBSCJV-LLVKDONJSA-N 0 3 296.773 2.859 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001016069668 651223569 /nfs/dbraw/zinc/22/35/69/651223569.db2.gz SPLNDIDITSBICN-QGZVFWFLSA-N 0 3 298.430 2.812 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001016098040 651224156 /nfs/dbraw/zinc/22/41/56/651224156.db2.gz WONJTVQXWYHYHT-HNNXBMFYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001016186600 651227209 /nfs/dbraw/zinc/22/72/09/651227209.db2.gz HRDCLGSELDIRTF-MRXNPFEDSA-N 0 3 286.419 2.992 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001016260700 651228797 /nfs/dbraw/zinc/22/87/97/651228797.db2.gz GUDJTMDDSODHTI-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C#CCN1CCC2(C[C@@H]2NC(=O)C2CCCCCC2)CC1 ZINC001016537159 651236940 /nfs/dbraw/zinc/23/69/40/651236940.db2.gz BMKUKNIIHOSYKK-INIZCTEOSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C)c(C)c2)CC1 ZINC001016952964 651242967 /nfs/dbraw/zinc/24/29/67/651242967.db2.gz JASHYGAQSCHRBF-KRWDZBQOSA-N 0 3 296.414 2.521 20 30 CFEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C)cc2C)CC1 ZINC001016956494 651243321 /nfs/dbraw/zinc/24/33/21/651243321.db2.gz RDUDSORDQPLTTN-KRWDZBQOSA-N 0 3 296.414 2.521 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccco1 ZINC001017303696 651248991 /nfs/dbraw/zinc/24/89/91/651248991.db2.gz BKYITJRJMXKJMQ-VMZPBXKQSA-N 0 3 286.375 2.544 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001017521166 651253241 /nfs/dbraw/zinc/25/32/41/651253241.db2.gz NHJQZIQCJUOGCL-GASCZTMLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cscc2C)C1 ZINC001020057022 651296774 /nfs/dbraw/zinc/29/67/74/651296774.db2.gz VNXZCEQUAFIWEI-XYPYZODXSA-N 0 3 284.812 2.659 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001020175895 651298134 /nfs/dbraw/zinc/29/81/34/651298134.db2.gz BKODBGIEKASZKP-XLWJZTARSA-N 0 3 294.826 2.578 20 30 CFEDHN Cc1ccc(CC#N)c(N2CCN(C3CCCC3)CC2)n1 ZINC001165031618 721860347 /nfs/dbraw/zinc/86/03/47/721860347.db2.gz DVMPSUOCAHMGKU-UHFFFAOYSA-N 0 3 284.407 2.521 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085910243 782201776 /nfs/dbraw/zinc/20/17/76/782201776.db2.gz BONYKPBJGMRROD-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989138 782226488 /nfs/dbraw/zinc/22/64/88/782226488.db2.gz IQZXLHXMHKLOAK-SJJHQCBESA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2sccc2C)C1 ZINC001086012162 782239274 /nfs/dbraw/zinc/23/92/74/782239274.db2.gz KQRPGKZTLGCWEW-TXEJJXNPSA-N 0 3 298.839 2.907 20 30 CFEDHN C#CCN(CCC)CCNC(=O)C1(C)CCCCCC1 ZINC001266563042 770345370 /nfs/dbraw/zinc/34/53/70/770345370.db2.gz YDELSRJYWSODGD-UHFFFAOYSA-N 0 3 278.440 2.808 20 30 CFEDHN C=CCN(C)Cc1ccc(Br)c(C#N)c1 ZINC001232899106 777711858 /nfs/dbraw/zinc/71/18/58/777711858.db2.gz LNJSDIHWNQMOOL-UHFFFAOYSA-N 0 3 265.154 2.939 20 30 CFEDHN CCC[C@@H](C)CC(=O)NCCNCc1ccc(C#N)s1 ZINC001124588321 779694322 /nfs/dbraw/zinc/69/43/22/779694322.db2.gz RGRUOZXIXQXHNQ-GFCCVEGCSA-N 0 3 293.436 2.652 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCCN1CCC ZINC001117768317 780633916 /nfs/dbraw/zinc/63/39/16/780633916.db2.gz SYMRBRZKXIIZFJ-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001266245807 769823365 /nfs/dbraw/zinc/82/33/65/769823365.db2.gz GZPUAIQKTCRUOX-HOTGVXAUSA-N 0 3 278.440 2.663 20 30 CFEDHN CCN1CCN(Cc2cc(F)cc(C#N)c2)C(C)(C)C1 ZINC001139879223 769830188 /nfs/dbraw/zinc/83/01/88/769830188.db2.gz HFCOLUZUTPDBBP-UHFFFAOYSA-N 0 3 275.371 2.613 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039055106 769965931 /nfs/dbraw/zinc/96/59/31/769965931.db2.gz BTMSYAXHAKQJBZ-BHUNQDJPSA-N 0 3 290.451 2.969 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H]1CN1CCC(CC#N)CC1 ZINC001208991457 769969460 /nfs/dbraw/zinc/96/94/60/769969460.db2.gz MPKJSRTXVDRFBY-CQSZACIVSA-N 0 3 293.411 2.621 20 30 CFEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)CCC2(C)CC2)CC1 ZINC001266379662 770051835 /nfs/dbraw/zinc/05/18/35/770051835.db2.gz LMCXXEXVWUBWIJ-HNNXBMFYSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCN(CC)C[C@H]1CCCCO1 ZINC001266393150 770068700 /nfs/dbraw/zinc/06/87/00/770068700.db2.gz WTGHLQLSULUCFL-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCN(CC)C[C@@H]1CCCCO1 ZINC001266393149 770069127 /nfs/dbraw/zinc/06/91/27/770069127.db2.gz WTGHLQLSULUCFL-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC001209438618 770089958 /nfs/dbraw/zinc/08/99/58/770089958.db2.gz PSMAOCSINHDCBX-KRWDZBQOSA-N 0 3 280.456 2.920 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001020905902 770099536 /nfs/dbraw/zinc/09/95/36/770099536.db2.gz BMYXASKFMUSXQW-MRVWCRGKSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001282793180 770146481 /nfs/dbraw/zinc/14/64/81/770146481.db2.gz XUNHJIPERAXOSY-XETPBLJFSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN(CC)CCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001266440547 770158808 /nfs/dbraw/zinc/15/88/08/770158808.db2.gz XONKVBBNYOIZBT-ZIAGYGMSSA-N 0 3 266.429 2.683 20 30 CFEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178150 770246998 /nfs/dbraw/zinc/24/69/98/770246998.db2.gz MDFDZYIIEJEVFR-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178152 770247210 /nfs/dbraw/zinc/24/72/10/770247210.db2.gz MDFDZYIIEJEVFR-SJORKVTESA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001039188764 770279426 /nfs/dbraw/zinc/27/94/26/770279426.db2.gz ZTFMZTUNVTXTFU-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(CCC)CCNC(=O)c1c[nH]c2ccc(C)cc21 ZINC001266579305 770371398 /nfs/dbraw/zinc/37/13/98/770371398.db2.gz MWXUCXGSEKNLPJ-UHFFFAOYSA-N 0 3 297.402 2.551 20 30 CFEDHN C=CC[C@H](C(=O)OC)N1CCC[C@]2(CC=CCC2)C1 ZINC001167381886 770402242 /nfs/dbraw/zinc/40/22/42/770402242.db2.gz RQNMHIPCNGSGMX-GDBMZVCRSA-N 0 3 263.381 2.926 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1cccc(C)c1 ZINC001167403495 770429282 /nfs/dbraw/zinc/42/92/82/770429282.db2.gz XKIBDCRQLZLFTH-CQSZACIVSA-N 0 3 294.826 2.947 20 30 CFEDHN C=C(C)CN(CCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001266615491 770438334 /nfs/dbraw/zinc/43/83/34/770438334.db2.gz KKXLNIOKAVYYOV-UHFFFAOYSA-N 0 3 282.403 2.816 20 30 CFEDHN C=CCN(CCNC(=O)C(C)(C)CC(F)(F)F)C1CC1 ZINC001266616017 770439948 /nfs/dbraw/zinc/43/99/48/770439948.db2.gz YSTRXXGYPBVYNF-UHFFFAOYSA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCN(CCNC(=O)c1ccc(C)cc1C)C1CC1 ZINC001266617247 770443799 /nfs/dbraw/zinc/44/37/99/770443799.db2.gz BDQMTZQISNENSS-UHFFFAOYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001039315191 770472394 /nfs/dbraw/zinc/47/23/94/770472394.db2.gz CEHBOHHMZGHVIB-CVEARBPZSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCC(=O)N(C)CCNCc1csc(C)c1 ZINC001266654509 770490699 /nfs/dbraw/zinc/49/06/99/770490699.db2.gz GMSXRASUPLZRCZ-UHFFFAOYSA-N 0 3 266.410 2.571 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001266718679 770554363 /nfs/dbraw/zinc/55/43/63/770554363.db2.gz ZRNGWCPYFXHTFY-UHFFFAOYSA-N 0 3 284.403 2.639 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@H](CCC)C(C)C ZINC001167467113 770577087 /nfs/dbraw/zinc/57/70/87/770577087.db2.gz CHZBAFSBUDBPOW-CYBMUJFWSA-N 0 3 274.836 2.907 20 30 CFEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)n1cccc1 ZINC001283155505 770593060 /nfs/dbraw/zinc/59/30/60/770593060.db2.gz LKOIRIHNRNQAFT-KGLIPLIRSA-N 0 3 297.830 2.676 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1CCOC(C)C ZINC001266848710 770671541 /nfs/dbraw/zinc/67/15/41/770671541.db2.gz CNGHPLNXMKCEFP-OAHLLOKOSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@H](C)c1ccco1 ZINC001266857441 770683532 /nfs/dbraw/zinc/68/35/32/770683532.db2.gz MVKFZFCRIIOKCF-GJZGRUSLSA-N 0 3 290.407 2.930 20 30 CFEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@H](C)c1ccco1 ZINC001266857443 770683774 /nfs/dbraw/zinc/68/37/74/770683774.db2.gz MVKFZFCRIIOKCF-LSDHHAIUSA-N 0 3 290.407 2.930 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1cnc(C)s1 ZINC001266973966 770780280 /nfs/dbraw/zinc/78/02/80/770780280.db2.gz CMYWRIJINWNRIA-NSHDSACASA-N 0 3 295.452 2.648 20 30 CFEDHN CC#CCN[C@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001266975275 770781116 /nfs/dbraw/zinc/78/11/16/770781116.db2.gz MBCBXDVVCXSASJ-LSDHHAIUSA-N 0 3 278.440 2.711 20 30 CFEDHN C=C[C@H](C(=O)NC[C@@H](C)NC/C=C/Cl)c1ccccc1 ZINC001266997668 770793572 /nfs/dbraw/zinc/79/35/72/770793572.db2.gz VNAMWONYZGNUBK-BTMYIEMMSA-N 0 3 292.810 2.803 20 30 CFEDHN CN(Cc1cccc(C#N)c1)Cc1cccc2nonc21 ZINC001203143494 770822139 /nfs/dbraw/zinc/82/21/39/770822139.db2.gz YIPLLWFFVFXTGO-UHFFFAOYSA-N 0 3 278.315 2.726 20 30 CFEDHN C#CCNCCN(C)C(=O)c1ccccc1-c1ccccc1 ZINC001267027704 770824484 /nfs/dbraw/zinc/82/44/84/770824484.db2.gz VBYRTUKJJHYABC-UHFFFAOYSA-N 0 3 292.382 2.648 20 30 CFEDHN C=C1CCC(CNCc2ccoc2C(=O)OC)CC1 ZINC000724440404 770882111 /nfs/dbraw/zinc/88/21/11/770882111.db2.gz ARUAYQMFACUAAL-UHFFFAOYSA-N 0 3 263.337 2.902 20 30 CFEDHN C=CCN(C)CCNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001267216736 773217118 /nfs/dbraw/zinc/21/71/18/773217118.db2.gz YYVMTZNCFXNELV-CYBMUJFWSA-N 0 3 278.371 2.553 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001267221396 773222492 /nfs/dbraw/zinc/22/24/92/773222492.db2.gz GQOJQVJDYTYRBK-CQSZACIVSA-N 0 3 274.408 2.587 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C2(CCC)CCC2)CC1 ZINC001224180045 775121306 /nfs/dbraw/zinc/12/13/06/775121306.db2.gz MEWBACPJLMWDJW-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@H](C3CCC3)C2)c1 ZINC000721536212 775138185 /nfs/dbraw/zinc/13/81/85/775138185.db2.gz SHXVLKSIHOECBL-INIZCTEOSA-N 0 3 255.365 2.965 20 30 CFEDHN C#CCN1CCC(CNC(=O)C(CCC)CCC)CC1 ZINC001224269194 775141809 /nfs/dbraw/zinc/14/18/09/775141809.db2.gz QMOBSHALFVQXRU-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=CCCCC(=O)NCC1CCN(C[C@@H](F)CC)CC1 ZINC001224277479 775142607 /nfs/dbraw/zinc/14/26/07/775142607.db2.gz YPXUYWPICOOLJL-HNNXBMFYSA-N 0 3 284.419 2.919 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001267306676 775182954 /nfs/dbraw/zinc/18/29/54/775182954.db2.gz KBBMYPAISSJFDE-CVEARBPZSA-N 0 3 278.440 2.520 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001276977969 775212009 /nfs/dbraw/zinc/21/20/09/775212009.db2.gz KABRAMRVVUYTAD-RDJZCZTQSA-N 0 3 286.419 2.945 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@@H]1CCN1C(C)C)c1ccccc1 ZINC001276977972 775213057 /nfs/dbraw/zinc/21/30/57/775213057.db2.gz KABRAMRVVUYTAD-WBVHZDCISA-N 0 3 286.419 2.945 20 30 CFEDHN C#CCC1(C(=O)NC[C@@H]2CCN2CCCC)CCCCC1 ZINC001276985631 775228186 /nfs/dbraw/zinc/22/81/86/775228186.db2.gz FWSQPEUPRBJKRB-INIZCTEOSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1 ZINC001267356385 775243693 /nfs/dbraw/zinc/24/36/93/775243693.db2.gz DLBUMBNDGLXXEW-HOTGVXAUSA-N 0 3 284.403 2.503 20 30 CFEDHN CC(C)=CCN[C@@H](CNC(=O)C#CC1CC1)c1ccccc1 ZINC001267356846 775245200 /nfs/dbraw/zinc/24/52/00/775245200.db2.gz IPNAVHDAVGRJBG-SFHVURJKSA-N 0 3 296.414 2.813 20 30 CFEDHN CN1CCCC[C@@H]1CO[C@H](C#N)c1cccc(F)c1 ZINC001224707437 775255616 /nfs/dbraw/zinc/25/56/16/775255616.db2.gz RFKLWGZOGOPLKL-HUUCEWRRSA-N 0 3 262.328 2.891 20 30 CFEDHN C=C(C)CN[C@@H](CNC(=O)c1nocc1C)c1ccccc1 ZINC001267376954 775282462 /nfs/dbraw/zinc/28/24/62/775282462.db2.gz KLEUJJSWVNPVMS-HNNXBMFYSA-N 0 3 299.374 2.620 20 30 CFEDHN C=C(Cl)CNC1CC(CNC(=O)C(C)(C)C(F)F)C1 ZINC001100660307 775305118 /nfs/dbraw/zinc/30/51/18/775305118.db2.gz MKMRPENUSBTBLZ-UHFFFAOYSA-N 0 3 294.773 2.515 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1cccc2c1CCCCC2 ZINC001267388424 775307037 /nfs/dbraw/zinc/30/70/37/775307037.db2.gz YHOGVXUHDCLEDO-UHFFFAOYSA-N 0 3 298.430 2.640 20 30 CFEDHN C=CC(C)(C)C(=O)N(C)CCNCc1cccc(F)c1 ZINC001267414681 775314682 /nfs/dbraw/zinc/31/46/82/775314682.db2.gz MTPJPWWYCZFZMX-UHFFFAOYSA-N 0 3 278.371 2.586 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1scnc1C ZINC001267424500 775322721 /nfs/dbraw/zinc/32/27/21/775322721.db2.gz RMGLOTBONUVKSH-HNNXBMFYSA-N 0 3 295.452 2.602 20 30 CFEDHN C#CCN1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3)C(C)(C)[C@H]21 ZINC001087266086 775351806 /nfs/dbraw/zinc/35/18/06/775351806.db2.gz GISFKKFXVFQQHT-ZACQAIPSSA-N 0 3 296.414 2.539 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001225191399 775362094 /nfs/dbraw/zinc/36/20/94/775362094.db2.gz PWRWYJOFIBTZIH-MRXNPFEDSA-N 0 3 298.430 2.560 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@H](CC)C(C)C)CC1 ZINC001225207724 775365976 /nfs/dbraw/zinc/36/59/76/775365976.db2.gz ZEXOXNHHNLELSB-KRWDZBQOSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267518162 775412496 /nfs/dbraw/zinc/41/24/96/775412496.db2.gz UBYQMYZIZYZMMD-AEFFLSMTSA-N 0 3 296.414 2.813 20 30 CFEDHN CC#CCN1CCC(CNC(=O)CCCCCC)CC1 ZINC001225327156 775412770 /nfs/dbraw/zinc/41/27/70/775412770.db2.gz NIRZDTHGGHILNU-UHFFFAOYSA-N 0 3 278.440 2.808 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(CCC)C(=O)C(C)(F)F)C1 ZINC001267537677 775442922 /nfs/dbraw/zinc/44/29/22/775442922.db2.gz CJVFEKNJLLJUCU-ZDUSSCGKSA-N 0 3 288.382 2.921 20 30 CFEDHN CC(C)(C)C#CC(=O)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001267557084 775466392 /nfs/dbraw/zinc/46/63/92/775466392.db2.gz YCWRMAHADURXEK-MDDUGHTDSA-N 0 3 296.842 2.617 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038322705 775535167 /nfs/dbraw/zinc/53/51/67/775535167.db2.gz NWAMLTKBIWXHHV-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001025190331 775560369 /nfs/dbraw/zinc/56/03/69/775560369.db2.gz AUDXHSFVZOYJCS-GJZGRUSLSA-N 0 3 288.391 2.925 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001025187692 775560435 /nfs/dbraw/zinc/56/04/35/775560435.db2.gz BXNFCKOQUGNSIL-SJORKVTESA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001025211748 775569867 /nfs/dbraw/zinc/56/98/67/775569867.db2.gz FQXKUXNHFMKGQR-SJORKVTESA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025252997 775581771 /nfs/dbraw/zinc/58/17/71/775581771.db2.gz RWVQIIPCGCMPGX-HZPDHXFCSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001025264421 775582847 /nfs/dbraw/zinc/58/28/47/775582847.db2.gz ACTUBBWRBYAIKY-ZIAGYGMSSA-N 0 3 298.377 2.510 20 30 CFEDHN CN1CCC[C@@H](Oc2cc(Br)ccc2C#N)C1 ZINC001225786544 775593280 /nfs/dbraw/zinc/59/32/80/775593280.db2.gz PSLUOGHEXORWPK-GFCCVEGCSA-N 0 3 295.180 2.794 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001025312008 775593413 /nfs/dbraw/zinc/59/34/13/775593413.db2.gz MQHIEXGTKNOCRO-DOTOQJQBSA-N 0 3 284.403 2.540 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025325669 775604135 /nfs/dbraw/zinc/60/41/35/775604135.db2.gz IZKJPBVRHNWFGA-KBPBESRZSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025325672 775604341 /nfs/dbraw/zinc/60/43/41/775604341.db2.gz IZKJPBVRHNWFGA-ZIAGYGMSSA-N 0 3 290.432 2.520 20 30 CFEDHN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001125842501 775620642 /nfs/dbraw/zinc/62/06/42/775620642.db2.gz FWLBAJMXGSFIPI-KRWDZBQOSA-N 0 3 284.403 2.894 20 30 CFEDHN C#Cc1cccc(N(CC)C(=O)[C@H]2CCCN2C(C)C)c1 ZINC001125842502 775620659 /nfs/dbraw/zinc/62/06/59/775620659.db2.gz FWLBAJMXGSFIPI-QGZVFWFLSA-N 0 3 284.403 2.894 20 30 CFEDHN CC#CCN1CCC[C@H]([C@@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412365 775647976 /nfs/dbraw/zinc/64/79/76/775647976.db2.gz STNGSQFJLGRIOQ-CABCVRRESA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001267615505 775679340 /nfs/dbraw/zinc/67/93/40/775679340.db2.gz QDXAZVMSKPUKCP-HZPDHXFCSA-N 0 3 296.455 2.594 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562407 775697818 /nfs/dbraw/zinc/69/78/18/775697818.db2.gz SGKJNDVYQLZCHI-UONOGXRCSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccccc1C(C)(C)C ZINC000328187510 775730799 /nfs/dbraw/zinc/73/07/99/775730799.db2.gz PDEHAXOYKBSHHH-UHFFFAOYSA-N 0 3 286.419 2.669 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328219383 775734122 /nfs/dbraw/zinc/73/41/22/775734122.db2.gz ZHZSCWMGERUWJD-GVDBMIGSSA-N 0 3 290.451 2.664 20 30 CFEDHN Cc1c(C#N)c(O[C@H]2CCCN(C)C2)nc2ccccc12 ZINC001226444185 775824086 /nfs/dbraw/zinc/82/40/86/775824086.db2.gz FQRIGURPOJYCAE-ZDUSSCGKSA-N 0 3 281.359 2.888 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267768360 775901510 /nfs/dbraw/zinc/90/15/10/775901510.db2.gz UODGWORDEHNZKY-ZIAGYGMSSA-N 0 3 266.429 2.777 20 30 CFEDHN C#C[C@H](COc1cccc(Cl)c1)Oc1ccnc(N)c1 ZINC001226654040 775905167 /nfs/dbraw/zinc/90/51/67/775905167.db2.gz WKVYLQVCPGDIKB-GFCCVEGCSA-N 0 3 288.734 2.777 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(OCc2ccccc2)CC1 ZINC000310010234 775950805 /nfs/dbraw/zinc/95/08/05/775950805.db2.gz YRGNTRPPHPUZRF-HNNXBMFYSA-N 0 3 288.391 2.596 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1cnc(C)s1 ZINC001267814386 775954773 /nfs/dbraw/zinc/95/47/73/775954773.db2.gz BZFXIROBZVDHGY-GFCCVEGCSA-N 0 3 295.452 2.648 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C(C)C)cc1 ZINC000128471924 775959415 /nfs/dbraw/zinc/95/94/15/775959415.db2.gz OGJZSLBJUZPSCN-CYBMUJFWSA-N 0 3 258.321 2.552 20 30 CFEDHN C#CCCCCC(=O)NCCNCc1cc(F)ccc1C ZINC001125966824 776195047 /nfs/dbraw/zinc/19/50/47/776195047.db2.gz DUUWBSQWWISHAN-UHFFFAOYSA-N 0 3 290.382 2.534 20 30 CFEDHN CCCCCCCN1CC[C@@H]2C[C@@]21C(=O)N1CCCCO1 ZINC001277225030 776242513 /nfs/dbraw/zinc/24/25/13/776242513.db2.gz FCHUNXOLCXYBDT-WBVHZDCISA-N 0 3 294.439 2.975 20 30 CFEDHN CCN1CC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227790443 776291246 /nfs/dbraw/zinc/29/12/46/776291246.db2.gz VSXBXMOSQVDQTC-SNVBAGLBSA-N 0 3 250.729 2.685 20 30 CFEDHN C=CCc1ccc(O[C@H]2CN3CCC2CC3)c(OC)c1 ZINC001227926947 776332430 /nfs/dbraw/zinc/33/24/30/776332430.db2.gz MRQLKPITYRJNKX-KRWDZBQOSA-N 0 3 273.376 2.897 20 30 CFEDHN C=CCc1ccc(O[C@@H]2CCCN(C)C2)c(OC)c1 ZINC001227926749 776332469 /nfs/dbraw/zinc/33/24/69/776332469.db2.gz KFVGHQGPNJNBQG-CQSZACIVSA-N 0 3 261.365 2.897 20 30 CFEDHN C#CCNC1(CNC(=O)[C@H](CCC=C)c2ccccc2)CC1 ZINC001277266760 776388163 /nfs/dbraw/zinc/38/81/63/776388163.db2.gz LJFCHONGCNNAMQ-QGZVFWFLSA-N 0 3 296.414 2.608 20 30 CFEDHN COCCN1CCC(Oc2cc(Cl)ccc2C#N)CC1 ZINC001228084076 776389529 /nfs/dbraw/zinc/38/95/29/776389529.db2.gz HOAHZEFLMBVXAT-UHFFFAOYSA-N 0 3 294.782 2.701 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC001027659577 776398178 /nfs/dbraw/zinc/39/81/78/776398178.db2.gz OQJAGERAXINXNL-ZDUSSCGKSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001027699258 776412334 /nfs/dbraw/zinc/41/23/34/776412334.db2.gz BPDRTDKJWXFILS-GPANFISMSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001027721214 776426616 /nfs/dbraw/zinc/42/66/16/776426616.db2.gz FNFGNMBVVRVXTK-HNNXBMFYSA-N 0 3 276.355 2.596 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001027734553 776433095 /nfs/dbraw/zinc/43/30/95/776433095.db2.gz AZBVDXGIPIMZPX-HNNXBMFYSA-N 0 3 276.355 2.596 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccsc1 ZINC001027743623 776437546 /nfs/dbraw/zinc/43/75/46/776437546.db2.gz LWZSTKJRTYNTKP-CYBMUJFWSA-N 0 3 264.394 2.518 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001027862064 776480397 /nfs/dbraw/zinc/48/03/97/776480397.db2.gz JHDWGSCTINLVSQ-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H]2CCCC[C@H]2NCCF)CC1 ZINC001228413520 776484419 /nfs/dbraw/zinc/48/44/19/776484419.db2.gz MTDWFZMUPPFXMH-ZIAGYGMSSA-N 0 3 282.403 2.719 20 30 CFEDHN CCN(CC)C[C@H](C)Oc1cccc2c1C(=O)C=CC2=O ZINC001228469334 776500121 /nfs/dbraw/zinc/50/01/21/776500121.db2.gz BDIRCLXVFMGLJW-LBPRGKRZSA-N 0 3 287.359 2.731 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001027969088 776533769 /nfs/dbraw/zinc/53/37/69/776533769.db2.gz GGSRNKRTJVKQER-SJLPKXTDSA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001028008824 776553288 /nfs/dbraw/zinc/55/32/88/776553288.db2.gz DLDMHOZNXRCZPO-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)C(C)(C)C)CC1 ZINC001167829131 776559735 /nfs/dbraw/zinc/55/97/35/776559735.db2.gz BRJJFEMWIKQKOQ-UHFFFAOYSA-N 0 3 272.820 2.661 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001028049784 776572445 /nfs/dbraw/zinc/57/24/45/776572445.db2.gz KXZZPPYRZOBFKB-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001075597239 776575267 /nfs/dbraw/zinc/57/52/67/776575267.db2.gz MBUXCJJAYMUNJX-JKSUJKDBSA-N 0 3 274.408 2.596 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001028065821 776580727 /nfs/dbraw/zinc/58/07/27/776580727.db2.gz LIGHIFDUIOKGLG-GFCCVEGCSA-N 0 3 294.420 2.527 20 30 CFEDHN N#Cc1nccc2cc(NCCN3CCSCC3)ccc21 ZINC001167839306 776591074 /nfs/dbraw/zinc/59/10/74/776591074.db2.gz KYGZJDXEXRYJNH-UHFFFAOYSA-N 0 3 298.415 2.567 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107671 776628209 /nfs/dbraw/zinc/62/82/09/776628209.db2.gz VNMJJGNCRWUMSW-GOSISDBHSA-N 0 3 298.430 2.857 20 30 CFEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C(C)(C)C ZINC001277340861 776655527 /nfs/dbraw/zinc/65/55/27/776655527.db2.gz WZNINZDWQZIGCP-SUMGSTKGSA-N 0 3 276.424 2.840 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028154930 776665740 /nfs/dbraw/zinc/66/57/40/776665740.db2.gz UDDBNGZYSPNWHJ-MRXNPFEDSA-N 0 3 270.376 2.710 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001028153286 776665906 /nfs/dbraw/zinc/66/59/06/776665906.db2.gz MYXVNYFDUUAQAL-RRFJBIMHSA-N 0 3 288.391 2.540 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001028153354 776666217 /nfs/dbraw/zinc/66/62/17/776666217.db2.gz PKAJMWKNECKNLG-CQSZACIVSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197824 776699389 /nfs/dbraw/zinc/69/93/89/776699389.db2.gz RHMFZUMWCNSUOK-RYQLBKOJSA-N 0 3 298.430 2.865 20 30 CFEDHN C=C(Cl)CN[C@@H](CNC(=O)CCCC)C(C)C ZINC001268203047 776703965 /nfs/dbraw/zinc/70/39/65/776703965.db2.gz LQCPPGSGPNVVMU-LBPRGKRZSA-N 0 3 260.809 2.660 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)CC(F)(F)F ZINC001268243753 776719269 /nfs/dbraw/zinc/71/92/69/776719269.db2.gz PLLUWODTKIUTJY-LLVKDONJSA-N 0 3 280.334 2.541 20 30 CFEDHN C#C[C@H](Oc1ccc(C(=O)CCN(C)C)cc1)C(C)C ZINC001229301819 776774347 /nfs/dbraw/zinc/77/43/47/776774347.db2.gz COERXICIXMQURL-KRWDZBQOSA-N 0 3 273.376 2.858 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1scnc1Cl ZINC001028320237 776852385 /nfs/dbraw/zinc/85/23/85/776852385.db2.gz CJJMEWWGVKEFEE-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028332101 776858293 /nfs/dbraw/zinc/85/82/93/776858293.db2.gz YKWHFRLJTKCSRA-PQUAAJSLSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001028334904 776860156 /nfs/dbraw/zinc/86/01/56/776860156.db2.gz KCUGVOLFMOOYMF-AWEZNQCLSA-N 0 3 297.402 2.857 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028338931 776862999 /nfs/dbraw/zinc/86/29/99/776862999.db2.gz LAWHMOPVCQKAKZ-GOSISDBHSA-N 0 3 296.414 2.782 20 30 CFEDHN C#C[C@H](Oc1ccccc1CN(C)C)c1ccncc1 ZINC001229701402 776874375 /nfs/dbraw/zinc/87/43/75/776874375.db2.gz IWOCEGZUOFNQLZ-INIZCTEOSA-N 0 3 266.344 2.897 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001075659813 776970683 /nfs/dbraw/zinc/97/06/83/776970683.db2.gz QLAGCRXCFADIEK-DZGCQCFKSA-N 0 3 290.432 2.779 20 30 CFEDHN CCN1CC[C@H](Oc2cccc(Br)c2C#N)C1 ZINC001230322627 776979653 /nfs/dbraw/zinc/97/96/53/776979653.db2.gz YLHNZXJBARHCLC-JTQLQIEISA-N 0 3 295.180 2.794 20 30 CFEDHN CC#CCNC/C=C\CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001268633031 777003089 /nfs/dbraw/zinc/00/30/89/777003089.db2.gz LHOLUWPSHQDMMH-ZEVQVBBLSA-N 0 3 288.435 2.798 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230533022 777006135 /nfs/dbraw/zinc/00/61/35/777006135.db2.gz UJJVOTMKJVJKEN-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1cnc(C)s1 ZINC001268647072 777008772 /nfs/dbraw/zinc/00/87/72/777008772.db2.gz RUZLRDHGXQLVCP-LLVKDONJSA-N 0 3 295.452 2.648 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268657376 777011375 /nfs/dbraw/zinc/01/13/75/777011375.db2.gz TUCUCNWRYWJELJ-MRXNPFEDSA-N 0 3 298.430 2.735 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230588034 777020964 /nfs/dbraw/zinc/02/09/64/777020964.db2.gz LGBHBTVMSLWVRM-KGLIPLIRSA-N 0 3 276.380 2.781 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1cnc(C)s1 ZINC001268698810 777023127 /nfs/dbraw/zinc/02/31/27/777023127.db2.gz ZDFZXOZNTKESNG-NSHDSACASA-N 0 3 295.452 2.648 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001230621334 777028429 /nfs/dbraw/zinc/02/84/29/777028429.db2.gz NLNZGRJDBIAFRD-INIZCTEOSA-N 0 3 272.392 2.799 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1scnc1C(C)(C)C ZINC001268750854 777044340 /nfs/dbraw/zinc/04/43/40/777044340.db2.gz PRSVYXGSWSCXBX-NSHDSACASA-N 0 3 295.452 2.677 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](C=C)c1ccccc1 ZINC001268756527 777046160 /nfs/dbraw/zinc/04/61/60/777046160.db2.gz KLIKPWDIZLQESF-ZBFHGGJFSA-N 0 3 272.392 2.579 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C ZINC001268984016 777083086 /nfs/dbraw/zinc/08/30/86/777083086.db2.gz OQAUZHPXAAEGFM-KKUMJFAQSA-N 0 3 287.407 2.577 20 30 CFEDHN C=CCCCCCN1CC[C@H](NC(=O)C(C)(F)F)C1 ZINC001268993187 777084931 /nfs/dbraw/zinc/08/49/31/777084931.db2.gz NTTLXDFAXXEXJO-LBPRGKRZSA-N 0 3 274.355 2.579 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2cc3ccccc3s2)C1 ZINC001028667217 777111168 /nfs/dbraw/zinc/11/11/68/777111168.db2.gz MZJUTXLDFQDZFO-ZDUSSCGKSA-N 0 3 298.411 2.586 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001269220981 777142586 /nfs/dbraw/zinc/14/25/86/777142586.db2.gz DVIXWEGSZAMQNF-RCQQVGEISA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)OC ZINC001231112328 777144192 /nfs/dbraw/zinc/14/41/92/777144192.db2.gz BGCQOQLPEBVQHI-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN C=C(C)CCC(=O)NC[C@H]1CCN1CCCCC ZINC001269240143 777148726 /nfs/dbraw/zinc/14/87/26/777148726.db2.gz HYBBTUSTSSDBFS-CQSZACIVSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001269278422 777156650 /nfs/dbraw/zinc/15/66/50/777156650.db2.gz IQSVAXPAMQGFJY-ZIAGYGMSSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001269278420 777157518 /nfs/dbraw/zinc/15/75/18/777157518.db2.gz IQSVAXPAMQGFJY-KGLIPLIRSA-N 0 3 276.380 2.747 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231161901 777161608 /nfs/dbraw/zinc/16/16/08/777161608.db2.gz PKZWBAJJOMBRIZ-CVEARBPZSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC001269333623 777172300 /nfs/dbraw/zinc/17/23/00/777172300.db2.gz XQVMJVQDXHYDDY-DOTOQJQBSA-N 0 3 286.419 2.947 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)COC ZINC001231234235 777175060 /nfs/dbraw/zinc/17/50/60/777175060.db2.gz QAMFDNKNKMYLMB-HZPDHXFCSA-N 0 3 298.471 2.772 20 30 CFEDHN C=C(C)C(=O)Nc1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001231315372 777189916 /nfs/dbraw/zinc/18/99/16/777189916.db2.gz PLSNBTFTNPEQTB-INIZCTEOSA-N 0 3 286.375 2.674 20 30 CFEDHN C#CCCN(C)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)C(C)C ZINC001284533067 777204271 /nfs/dbraw/zinc/20/42/71/777204271.db2.gz DOYKITLWZGYSKN-HZPDHXFCSA-N 0 3 296.430 2.707 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001231411021 777213001 /nfs/dbraw/zinc/21/30/01/777213001.db2.gz WAMBQKJTSNVCPS-CAOSSQGBSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001280039625 777233772 /nfs/dbraw/zinc/23/37/72/777233772.db2.gz AJQIHFNLPIINGM-FWLQQBITSA-N 0 3 284.831 2.923 20 30 CFEDHN N#C[C@H]1CCCN(Cc2c[nH]c3cccnc23)CC1 ZINC001231491114 777238219 /nfs/dbraw/zinc/23/82/19/777238219.db2.gz FQFSAZBZWPMVPQ-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN N#Cc1ccc(N2CCN([C@@H]3C[C@H]4C[C@H]4C3)CC2)c(F)c1 ZINC001167954386 777238588 /nfs/dbraw/zinc/23/85/88/777238588.db2.gz DCBUZPFIURHISZ-QDMKHBRRSA-N 0 3 285.366 2.618 20 30 CFEDHN C=CCOc1cccc(CN(CC)CCn2cccn2)c1 ZINC001231624889 777284271 /nfs/dbraw/zinc/28/42/71/777284271.db2.gz GNDXSPZDIWDLIE-UHFFFAOYSA-N 0 3 285.391 2.970 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)C(C)(C)C2)c1 ZINC001231624015 777284385 /nfs/dbraw/zinc/28/43/85/777284385.db2.gz CYYQXDLUKJTVCP-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN C#Cc1cccc(C[N@@H+]2CCc3cccc([O-])c3C2)c1 ZINC001231660333 777298118 /nfs/dbraw/zinc/29/81/18/777298118.db2.gz CLOCFYJKTJEXJS-UHFFFAOYSA-N 0 3 263.340 2.932 20 30 CFEDHN C#Cc1cccc(C[N@H+]2CCc3cccc([O-])c3C2)c1 ZINC001231660333 777298122 /nfs/dbraw/zinc/29/81/22/777298122.db2.gz CLOCFYJKTJEXJS-UHFFFAOYSA-N 0 3 263.340 2.932 20 30 CFEDHN C#Cc1cccc(CN2CCC(c3nc(C)no3)CC2)c1 ZINC001231662995 777299986 /nfs/dbraw/zinc/29/99/86/777299986.db2.gz NCLZDZZCXLTXQY-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2cc[nH]c2cn1 ZINC001231669845 777303798 /nfs/dbraw/zinc/30/37/98/777303798.db2.gz PCSJNPYWYANSLS-UWEBFBLFSA-N 0 3 266.348 2.829 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)CCc2ccccc2)CC1 ZINC001270260762 777344154 /nfs/dbraw/zinc/34/41/54/777344154.db2.gz GIQKRZIEOGOKJH-UHFFFAOYSA-N 0 3 298.430 2.613 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001028974096 777352202 /nfs/dbraw/zinc/35/22/02/777352202.db2.gz APQCJMTVQOUXMD-QGZVFWFLSA-N 0 3 298.430 2.570 20 30 CFEDHN COc1cc(N(C)C)ccc1CN1CCC[C@H](C#N)CC1 ZINC001231853062 777352546 /nfs/dbraw/zinc/35/25/46/777352546.db2.gz DPYZEEGEHUOEFG-AWEZNQCLSA-N 0 3 287.407 2.887 20 30 CFEDHN C=CCC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001270366468 777364193 /nfs/dbraw/zinc/36/41/93/777364193.db2.gz ZIOAKTBDFWMHFT-UONOGXRCSA-N 0 3 290.407 2.702 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1csc(C)n1 ZINC001270478424 777391426 /nfs/dbraw/zinc/39/14/26/777391426.db2.gz QAFOSTMHZKYZEL-LLVKDONJSA-N 0 3 295.452 2.506 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@H](C)CC)C1 ZINC001270574994 777412319 /nfs/dbraw/zinc/41/23/19/777412319.db2.gz BXULCCFMCOIXCK-HIFRSBDPSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001270589505 777416497 /nfs/dbraw/zinc/41/64/97/777416497.db2.gz HFSVNZUZMSBBFA-GOSISDBHSA-N 0 3 298.430 2.875 20 30 CFEDHN CCN(CCn1cccn1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116192 777445886 /nfs/dbraw/zinc/44/58/86/777445886.db2.gz JQDIXIVKDAWNKG-UHFFFAOYSA-N 0 3 288.782 2.930 20 30 CFEDHN CC#CCN(C)CCCN(C)C(=O)C[C@H](CC)C(C)C ZINC001280873111 777468034 /nfs/dbraw/zinc/46/80/34/777468034.db2.gz JRKJYDVODNHGCG-INIZCTEOSA-N 0 3 280.456 2.862 20 30 CFEDHN CN1CC2(C1)CCCN(Cc1ccc(Cl)c(C#N)c1)C2 ZINC001277630132 777474508 /nfs/dbraw/zinc/47/45/08/777474508.db2.gz DFXSOMUUAKVFSA-UHFFFAOYSA-N 0 3 289.810 2.739 20 30 CFEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126822794 777561684 /nfs/dbraw/zinc/56/16/84/777561684.db2.gz VTGNHGXWSZFVJN-HNNXBMFYSA-N 0 3 286.375 2.982 20 30 CFEDHN CCCN(CCc1ccccn1)Cc1cc(C#N)ccn1 ZINC001232479218 777574667 /nfs/dbraw/zinc/57/46/67/777574667.db2.gz ONHZLSGSRVGCKY-UHFFFAOYSA-N 0 3 280.375 2.803 20 30 CFEDHN C=CCN1CCC[C@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001270949539 777612365 /nfs/dbraw/zinc/61/23/65/777612365.db2.gz GQZGMWLNJLUNPH-QGZVFWFLSA-N 0 3 290.407 2.617 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C2CCC2)cc1 ZINC001280341101 777617861 /nfs/dbraw/zinc/61/78/61/777617861.db2.gz VKEWXYWGEZHLTO-AWEZNQCLSA-N 0 3 284.403 2.777 20 30 CFEDHN C=CCN1CCC[C@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001270982308 777619833 /nfs/dbraw/zinc/61/98/33/777619833.db2.gz HQGWLUKQFLXYLX-XYMPBJBSSA-N 0 3 276.424 2.913 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1CC ZINC001087646189 777672870 /nfs/dbraw/zinc/67/28/70/777672870.db2.gz QPIXJTWIOAUIQU-ZWKOTPCHSA-N 0 3 298.430 2.530 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1CC ZINC001087668334 777673454 /nfs/dbraw/zinc/67/34/54/777673454.db2.gz QOKAZZPIYUNMJX-BQJWPVKWSA-N 0 3 290.451 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1CC ZINC001087702287 777681914 /nfs/dbraw/zinc/68/19/14/777681914.db2.gz NOHNVWLWOZXMRE-LSDHHAIUSA-N 0 3 288.391 2.926 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccncc2Cl)[C@H]1CC ZINC001087738497 777690294 /nfs/dbraw/zinc/69/02/94/777690294.db2.gz DHFKYKQTDWIBQJ-UONOGXRCSA-N 0 3 293.798 2.504 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC ZINC001029419484 777698005 /nfs/dbraw/zinc/69/80/05/777698005.db2.gz CMRDDBSQYUIRML-OKILXGFUSA-N 0 3 264.413 2.674 20 30 CFEDHN O=C1C=C2CN(Cc3ccc4ncoc4c3)CCC2S1 ZINC001232939112 777729449 /nfs/dbraw/zinc/72/94/49/777729449.db2.gz FDFPEKMYDYMNCV-AWEZNQCLSA-N 0 3 286.356 2.602 20 30 CFEDHN N#CCC1CCN(Cc2ccc3ncoc3c2)CC1 ZINC001232943258 777730923 /nfs/dbraw/zinc/73/09/23/777730923.db2.gz ZDTDRBIQEGUJAT-UHFFFAOYSA-N 0 3 255.321 2.953 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC2(CCCC(=O)N2)CC1 ZINC001233081808 777791300 /nfs/dbraw/zinc/79/13/00/777791300.db2.gz QFHIYVBDVFZQCS-UHFFFAOYSA-N 0 3 297.402 2.501 20 30 CFEDHN CN(C)c1ccc(CN(C)C(C)(C)C)c(F)c1C#N ZINC001233100250 777794370 /nfs/dbraw/zinc/79/43/70/777794370.db2.gz CYEHFBKTTOKELX-UHFFFAOYSA-N 0 3 263.360 2.994 20 30 CFEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3ccc(C)nc3)C2)C1 ZINC001040072643 777826397 /nfs/dbraw/zinc/82/63/97/777826397.db2.gz FNHUINUAMAQTSZ-SFHVURJKSA-N 0 3 299.418 2.504 20 30 CFEDHN C=CC(=NCOC)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168065545 777872015 /nfs/dbraw/zinc/87/20/15/777872015.db2.gz GCLIZBATUPWBLK-GXFFZTMASA-N 0 3 266.291 2.599 20 30 CFEDHN CCC(=O)N1CCC[C@@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001271684002 777902864 /nfs/dbraw/zinc/90/28/64/777902864.db2.gz AMHBTLJIHRFUOC-SJLPKXTDSA-N 0 3 298.430 2.665 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@H](F)CC)C1 ZINC001088361527 778028124 /nfs/dbraw/zinc/02/81/24/778028124.db2.gz YXNOBNWUUZVSHM-QWHCGFSZSA-N 0 3 290.810 2.848 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)c2c[nH]cc2C)CC1 ZINC001168109353 778063105 /nfs/dbraw/zinc/06/31/05/778063105.db2.gz DVTYWAKNOUTSHN-UHFFFAOYSA-N 0 3 295.814 2.565 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC001088446916 778098405 /nfs/dbraw/zinc/09/84/05/778098405.db2.gz HFFQHLBBONCHNN-DOMZBBRYSA-N 0 3 276.355 2.594 20 30 CFEDHN COCCN1CCC(Oc2ccc(Cl)c(C#N)c2)CC1 ZINC001233925104 778114019 /nfs/dbraw/zinc/11/40/19/778114019.db2.gz RTFSQAAOOYLURY-UHFFFAOYSA-N 0 3 294.782 2.701 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001233947644 778120465 /nfs/dbraw/zinc/12/04/65/778120465.db2.gz NKVYLIICYHRLCC-IQIBNGDESA-N 0 3 276.424 2.679 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088496368 778166979 /nfs/dbraw/zinc/16/69/79/778166979.db2.gz SFRGVTJRDNIDLF-HIFRSBDPSA-N 0 3 262.397 2.642 20 30 CFEDHN N#Cc1cc([O-])cc(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001234145014 778176153 /nfs/dbraw/zinc/17/61/53/778176153.db2.gz ZOWGTXMQKKPJRJ-UHFFFAOYSA-N 0 3 295.342 2.707 20 30 CFEDHN CC(C)C#CC(=O)N(C)C[C@@H]1CCN1CCCC(C)C ZINC001234163297 778179561 /nfs/dbraw/zinc/17/95/61/778179561.db2.gz YIFWICDGLUJNNU-INIZCTEOSA-N 0 3 278.440 2.615 20 30 CFEDHN CCCCCCN1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234194164 778182692 /nfs/dbraw/zinc/18/26/92/778182692.db2.gz BGOYRITZMKNRGL-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2)c1 ZINC000127617743 778224804 /nfs/dbraw/zinc/22/48/04/778224804.db2.gz GLZYYIYBKGLEOW-ZDUSSCGKSA-N 0 3 268.272 2.549 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cnn(CC3CCC3)c2)C1 ZINC000897432598 778227809 /nfs/dbraw/zinc/22/78/09/778227809.db2.gz OUVSDCGJZCXXSI-GOEBONIOSA-N 0 3 272.396 2.855 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CCN1CC1CC1 ZINC001234553990 778251182 /nfs/dbraw/zinc/25/11/82/778251182.db2.gz CBDBRUQJTDHWTN-CYBMUJFWSA-N 0 3 284.831 2.708 20 30 CFEDHN C#CC[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658154 778279489 /nfs/dbraw/zinc/27/94/89/778279489.db2.gz VNGRCAXXMUDGFY-OAHLLOKOSA-N 0 3 272.392 2.619 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CCCC1CC1 ZINC001272086553 778306760 /nfs/dbraw/zinc/30/67/60/778306760.db2.gz BQDUYIKGBQVNOL-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127729686 778344817 /nfs/dbraw/zinc/34/48/17/778344817.db2.gz DCHRRWJGASZTAY-YPMHNXCESA-N 0 3 258.321 2.689 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001235517135 778510570 /nfs/dbraw/zinc/51/05/70/778510570.db2.gz XGKRXQQWZHSJGM-NVXWUHKLSA-N 0 3 270.376 2.754 20 30 CFEDHN C=CCN1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235686202 778537293 /nfs/dbraw/zinc/53/72/93/778537293.db2.gz YIRDMYOYFAGNIW-UHFFFAOYSA-N 0 3 288.435 2.993 20 30 CFEDHN C[C@@H](NCCNC(=O)C#CC(C)(C)C)c1cccc(F)c1 ZINC001126907821 778538585 /nfs/dbraw/zinc/53/85/85/778538585.db2.gz WKMDRUPLXFRZGZ-CYBMUJFWSA-N 0 3 290.382 2.642 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001076147648 778572762 /nfs/dbraw/zinc/57/27/62/778572762.db2.gz PHYBRBHFRXKLCB-ARFHVFGLSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCCC3(F)F)[C@@H]2C1 ZINC001076174153 778574565 /nfs/dbraw/zinc/57/45/65/778574565.db2.gz AQUCJJYWUXQABM-BFHYXJOUSA-N 0 3 298.377 2.531 20 30 CFEDHN N#Cc1ccc(F)cc1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235853989 778582144 /nfs/dbraw/zinc/58/21/44/778582144.db2.gz CYUPHUUKZHUWRV-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001076595750 778598110 /nfs/dbraw/zinc/59/81/10/778598110.db2.gz MPGTZPJRUZQGME-RYQLBKOJSA-N 0 3 298.430 2.584 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@@H]1O ZINC001232112566 778899322 /nfs/dbraw/zinc/89/93/22/778899322.db2.gz XVWUHZGZDMPEGU-NHYWBVRUSA-N 0 3 278.783 2.804 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CO[C@H](C)CC ZINC001099023123 778920575 /nfs/dbraw/zinc/92/05/75/778920575.db2.gz KICQCXNATWRDBX-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001038563896 778925981 /nfs/dbraw/zinc/92/59/81/778925981.db2.gz MQNICXANHONNTK-AWEZNQCLSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1C ZINC001088886042 778937396 /nfs/dbraw/zinc/93/73/96/778937396.db2.gz AFKMHLDROAYFMK-VNQPRFMTSA-N 0 3 290.382 2.852 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC001088947525 778957622 /nfs/dbraw/zinc/95/76/22/778957622.db2.gz DXKMCHHYKODACO-WBMJQRKESA-N 0 3 287.407 2.661 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970936 778963514 /nfs/dbraw/zinc/96/35/14/778963514.db2.gz UZFCSAHHJQTPOZ-LZWOXQAQSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]1C ZINC001089015276 778973453 /nfs/dbraw/zinc/97/34/53/778973453.db2.gz NIIIEHNXGWCXCF-DOMZBBRYSA-N 0 3 292.810 2.648 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089070641 778987373 /nfs/dbraw/zinc/98/73/73/778987373.db2.gz PUQNRARUTUKPBR-LMPOIIKSSA-N 0 3 290.451 2.661 20 30 CFEDHN COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1N ZINC000061949309 779036993 /nfs/dbraw/zinc/03/69/93/779036993.db2.gz XRZIJZDZUMMCCM-UHFFFAOYSA-N 0 3 281.359 2.781 20 30 CFEDHN CC(C)N1CC[C@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233523943 779050627 /nfs/dbraw/zinc/05/06/27/779050627.db2.gz HJOTTXLKEBGWJG-ZDUSSCGKSA-N 0 3 272.348 2.644 20 30 CFEDHN Cn1cc(CN2CC[C@H]3OCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237473893 779117136 /nfs/dbraw/zinc/11/71/36/779117136.db2.gz YEFYHSNIDJUQSA-RDTXWAMCSA-N 0 3 295.386 2.661 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320532 779142752 /nfs/dbraw/zinc/14/27/52/779142752.db2.gz JCTKYOZKWJISPL-ZBFHGGJFSA-N 0 3 276.424 2.723 20 30 CFEDHN CCN1CCN(Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001237756168 779175253 /nfs/dbraw/zinc/17/52/53/779175253.db2.gz WOVHEPSNBRCIKR-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN O=C1C=C2CN(Cc3cnc(C4CC4)s3)CCC2S1 ZINC001237786987 779177418 /nfs/dbraw/zinc/17/74/18/779177418.db2.gz QQLVZOKZKKWEJV-GFCCVEGCSA-N 0 3 292.429 2.795 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cccc(-c3ccccn3)n2)C1 ZINC001237834618 779191006 /nfs/dbraw/zinc/19/10/06/779191006.db2.gz YEMKFVVCMJTIIZ-HNNXBMFYSA-N 0 3 277.371 2.989 20 30 CFEDHN Cc1cc(F)cc(CN2CCC(C)(C#N)CC2)c1O ZINC001238070654 779246941 /nfs/dbraw/zinc/24/69/41/779246941.db2.gz NXCBZFFUHPHCLI-UHFFFAOYSA-N 0 3 262.328 2.965 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cccs1 ZINC001272629238 779355871 /nfs/dbraw/zinc/35/58/71/779355871.db2.gz OKGWKPFAWFAXKS-JTQLQIEISA-N 0 3 272.801 2.599 20 30 CFEDHN CCc1cc(CN2CCCC3(COC3)C2)ccc1C#N ZINC001238761738 779383654 /nfs/dbraw/zinc/38/36/54/779383654.db2.gz WJUJFBWUSOCLTL-UHFFFAOYSA-N 0 3 270.376 2.733 20 30 CFEDHN CCc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C#N ZINC001238777848 779389500 /nfs/dbraw/zinc/38/95/00/779389500.db2.gz ISNSWXKHNMKWIL-OKILXGFUSA-N 0 3 271.408 2.645 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@H]1CCNC[C@H]1F ZINC001239228092 779479632 /nfs/dbraw/zinc/47/96/32/779479632.db2.gz UROVKYOWXZKSNC-ZIAGYGMSSA-N 0 3 287.423 2.594 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCC2)CC(C)(C)C1 ZINC001089455868 779481608 /nfs/dbraw/zinc/48/16/08/779481608.db2.gz AIUIPRAIMWBXFP-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCCCCCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC001239292035 779503640 /nfs/dbraw/zinc/50/36/40/779503640.db2.gz VVNIWVXBBPKLOZ-KBPBESRZSA-N 0 3 269.433 2.739 20 30 CFEDHN CCCCCCCCOC(=O)N[C@H]1CCNC[C@@H]1F ZINC001239315174 779509032 /nfs/dbraw/zinc/50/90/32/779509032.db2.gz LTVPCBMVFGBHAH-STQMWFEESA-N 0 3 274.380 2.773 20 30 CFEDHN CCCCCCCCOC(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001239317519 779510660 /nfs/dbraw/zinc/51/06/60/779510660.db2.gz FCFNKDSAMCCIRG-SOUVJXGZSA-N 0 3 298.427 2.593 20 30 CFEDHN CCCCCCCOC(=O)N1C[C@H](C)NC[C@H]1C ZINC001239332847 779522645 /nfs/dbraw/zinc/52/26/45/779522645.db2.gz XIUFVQOOJIBKOS-QWHCGFSZSA-N 0 3 256.390 2.776 20 30 CFEDHN CCCCCCCCOC(=O)N1CC[C@@H](F)[C@@H](N)C1 ZINC001239334235 779524284 /nfs/dbraw/zinc/52/42/84/779524284.db2.gz GPHLFVFXWBNVOY-OLZOCXBDSA-N 0 3 274.380 2.855 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001089686453 779566577 /nfs/dbraw/zinc/56/65/77/779566577.db2.gz UBXVGOCJUQFCJK-FXUDXRNXSA-N 0 3 290.451 2.825 20 30 CFEDHN CCCCCCCCNC(=S)N1CCN[C@@H](CC)C1 ZINC001239437435 779566849 /nfs/dbraw/zinc/56/68/49/779566849.db2.gz YBBZWDAGWIBVNJ-AWEZNQCLSA-N 0 3 285.501 2.905 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001089693494 779569358 /nfs/dbraw/zinc/56/93/58/779569358.db2.gz LJQZVROZDPVBIK-HNNXBMFYSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001031747037 779583711 /nfs/dbraw/zinc/58/37/11/779583711.db2.gz LBLHLRVRRZICFQ-UHFFFAOYSA-N 0 3 298.333 2.763 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001032274365 779803782 /nfs/dbraw/zinc/80/37/82/779803782.db2.gz HXSNJYQQYMCKGS-GJZGRUSLSA-N 0 3 288.391 2.761 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107515568 779854480 /nfs/dbraw/zinc/85/44/80/779854480.db2.gz XZGGBUWQWRLYHB-ZMSDIMECSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107702067 779883343 /nfs/dbraw/zinc/88/33/43/779883343.db2.gz ITRJLHOOYXTZMZ-NVXWUHKLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709643 779885480 /nfs/dbraw/zinc/88/54/80/779885480.db2.gz GSPARIZDQMWZIX-DOTOQJQBSA-N 0 3 294.439 2.514 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107851900 779908626 /nfs/dbraw/zinc/90/86/26/779908626.db2.gz COYAQPVWPAMYCD-IWPSQPJSSA-N 0 3 294.439 2.514 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001038610010 779938253 /nfs/dbraw/zinc/93/82/53/779938253.db2.gz JDQZOYWKZWNECB-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)ccn1 ZINC001032418635 779948519 /nfs/dbraw/zinc/94/85/19/779948519.db2.gz FYTKRUIDWVEICO-HOTGVXAUSA-N 0 3 299.418 2.509 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCCC1 ZINC001032472057 779963368 /nfs/dbraw/zinc/96/33/68/779963368.db2.gz KSVPBWVXCCWUMU-IKGGRYGDSA-N 0 3 288.435 2.984 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(CC)c1 ZINC001032520843 780010410 /nfs/dbraw/zinc/01/04/10/780010410.db2.gz HXRNNGVLSYAFQL-IRXDYDNUSA-N 0 3 299.418 2.509 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C(C)C ZINC001032582298 780051625 /nfs/dbraw/zinc/05/16/25/780051625.db2.gz VKPMSTKRKMGFJN-KBPBESRZSA-N 0 3 287.407 2.613 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001032637129 780094235 /nfs/dbraw/zinc/09/42/35/780094235.db2.gz CPUZDXVTOLQSLM-FXUDXRNXSA-N 0 3 276.424 2.530 20 30 CFEDHN N#CCc1ncc(C2=CCCN(Cc3ccccc3)C2)cn1 ZINC001240388291 780131563 /nfs/dbraw/zinc/13/15/63/780131563.db2.gz HSIUEGPKFGZKFB-UHFFFAOYSA-N 0 3 290.370 2.832 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC2 ZINC001032775712 780208696 /nfs/dbraw/zinc/20/86/96/780208696.db2.gz CYLVKWAGJMOYAH-ROUUACIJSA-N 0 3 296.414 2.650 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC2)C12CCC2 ZINC001078523888 780271011 /nfs/dbraw/zinc/27/10/11/780271011.db2.gz OBPQKECCMZFBKD-QWHCGFSZSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccoc2)C12CCC2 ZINC001078556998 780272296 /nfs/dbraw/zinc/27/22/96/780272296.db2.gz YVFJAFNWINSDIV-STQMWFEESA-N 0 3 294.782 2.663 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC001272937045 780315705 /nfs/dbraw/zinc/31/57/05/780315705.db2.gz WPSZFJDYMSFKFJ-HUUCEWRRSA-N 0 3 290.432 2.890 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1cc(F)cc(F)c1 ZINC001128242547 780367710 /nfs/dbraw/zinc/36/77/10/780367710.db2.gz SRVSNBQXGIMWII-UHFFFAOYSA-N 0 3 296.361 2.773 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCNCc1ocnc1C ZINC001273002071 780472097 /nfs/dbraw/zinc/47/20/97/780472097.db2.gz RKLQGNFMWJJCCR-BLLLJJGKSA-N 0 3 293.411 2.570 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1occc1Cl ZINC001273002401 780473808 /nfs/dbraw/zinc/47/38/08/780473808.db2.gz VAFHGWZPOBQIAM-VIFPVBQESA-N 0 3 291.178 2.784 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032875715 780494175 /nfs/dbraw/zinc/49/41/75/780494175.db2.gz FAUOGMWZNXDOMJ-OAHLLOKOSA-N 0 3 272.392 2.717 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033132586 780577612 /nfs/dbraw/zinc/57/76/12/780577612.db2.gz VAIKOWZJPXJGER-INIZCTEOSA-N 0 3 298.430 2.980 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033141741 780578828 /nfs/dbraw/zinc/57/88/28/780578828.db2.gz GQRNLNDYKQJMTA-AWEZNQCLSA-N 0 3 287.407 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033145594 780580839 /nfs/dbraw/zinc/58/08/39/780580839.db2.gz ITWZWGSYMDHHME-ZDUSSCGKSA-N 0 3 294.345 2.687 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033229910 780622670 /nfs/dbraw/zinc/62/26/70/780622670.db2.gz FWLQGSBXRRZDPD-INIZCTEOSA-N 0 3 299.418 2.681 20 30 CFEDHN CC#CCNC1(CNC(=O)CC2(C)CCCCC2)CCC1 ZINC001273121928 780635977 /nfs/dbraw/zinc/63/59/77/780635977.db2.gz LDRYZDACZSSQDA-UHFFFAOYSA-N 0 3 290.451 2.999 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001033271770 780638208 /nfs/dbraw/zinc/63/82/08/780638208.db2.gz JKLJNEQJOZFVHI-ZDUSSCGKSA-N 0 3 299.374 2.550 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nccc3occc32)C1 ZINC001033284660 780640365 /nfs/dbraw/zinc/64/03/65/780640365.db2.gz CFDOXGXCJWNXQQ-CYBMUJFWSA-N 0 3 299.374 2.550 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292668 780641904 /nfs/dbraw/zinc/64/19/04/780641904.db2.gz TZIJQNYMGGLAAZ-YYIAUSFCSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033299469 780643818 /nfs/dbraw/zinc/64/38/18/780643818.db2.gz CWPBJKRNSUURAT-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033299471 780644929 /nfs/dbraw/zinc/64/49/29/780644929.db2.gz CWPBJKRNSUURAT-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001033397998 780672816 /nfs/dbraw/zinc/67/28/16/780672816.db2.gz WEDUUTNXZBAIHV-ZOBUZTSGSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033416540 780676725 /nfs/dbraw/zinc/67/67/25/780676725.db2.gz MEPCRALJQKJOBJ-ZIAGYGMSSA-N 0 3 292.448 2.960 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033403622 780678967 /nfs/dbraw/zinc/67/89/67/780678967.db2.gz WFONXCGLODWNCA-QLFBSQMISA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033731988 780767612 /nfs/dbraw/zinc/76/76/12/780767612.db2.gz RMVXHAMXJSDKOZ-INIZCTEOSA-N 0 3 272.392 2.799 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)nc2)C1 ZINC001033747396 780775266 /nfs/dbraw/zinc/77/52/66/780775266.db2.gz ODQCJAKIMHPACQ-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cncc(C)c2)C1 ZINC001033781187 780784087 /nfs/dbraw/zinc/78/40/87/780784087.db2.gz PNWJKYYAQBVKAA-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033841698 780803701 /nfs/dbraw/zinc/80/37/01/780803701.db2.gz BXRQUDQPLROMBH-QGZVFWFLSA-N 0 3 286.419 2.784 20 30 CFEDHN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001033924367 780824609 /nfs/dbraw/zinc/82/46/09/780824609.db2.gz WVCXMSSLXNXZDG-GOSISDBHSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034025158 780864244 /nfs/dbraw/zinc/86/42/44/780864244.db2.gz DVZRXNOLEWKWGO-GOSISDBHSA-N 0 3 298.430 2.863 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034076273 780878180 /nfs/dbraw/zinc/87/81/80/780878180.db2.gz NFHSCBARKJIOKY-HNNXBMFYSA-N 0 3 276.355 2.596 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001034073076 780882316 /nfs/dbraw/zinc/88/23/16/780882316.db2.gz CRQOTVCBXXLBMD-AWEZNQCLSA-N 0 3 290.382 2.986 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034095086 780891004 /nfs/dbraw/zinc/89/10/04/780891004.db2.gz JTROBRSGXGDHEM-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226951 780925948 /nfs/dbraw/zinc/92/59/48/780925948.db2.gz WEGLNYDTLRKVAE-DOTOQJQBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CCN1CCCC[C@@H](NC(=O)c2ccns2)C1 ZINC001034229993 780927842 /nfs/dbraw/zinc/92/78/42/780927842.db2.gz ZYENPVLACHTVAM-CYBMUJFWSA-N 0 3 293.436 2.694 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034246891 780929157 /nfs/dbraw/zinc/92/91/57/780929157.db2.gz HOPQBJCIYIQWNX-CYBMUJFWSA-N 0 3 294.345 2.735 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034271931 780937161 /nfs/dbraw/zinc/93/71/61/780937161.db2.gz KDVODODWQGVVOK-LSDHHAIUSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034271874 780937217 /nfs/dbraw/zinc/93/72/17/780937217.db2.gz QRXOIKOIRRWMSI-CKDBGZEDSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034302411 780941832 /nfs/dbraw/zinc/94/18/32/780941832.db2.gz SQVDAPKCDUEDNQ-RRFJBIMHSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001034322466 780945392 /nfs/dbraw/zinc/94/53/92/780945392.db2.gz GUYZTGIOCGIXBQ-VVLHAWIVSA-N 0 3 290.451 2.969 20 30 CFEDHN N#CCc1cncc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241502778 780946725 /nfs/dbraw/zinc/94/67/25/780946725.db2.gz VJZVAMLHQJPNFQ-UHFFFAOYSA-N 0 3 290.370 2.832 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034323330 780947968 /nfs/dbraw/zinc/94/79/68/780947968.db2.gz NHRWXXCQCLLNDJ-KYHPRHEASA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034374195 780956746 /nfs/dbraw/zinc/95/67/46/780956746.db2.gz WTJZLLZMEBXZPN-CQSZACIVSA-N 0 3 287.407 2.662 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001034359485 780958237 /nfs/dbraw/zinc/95/82/37/780958237.db2.gz BRLGYMUIJBWDBK-AWEZNQCLSA-N 0 3 289.423 2.908 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001034433177 780975266 /nfs/dbraw/zinc/97/52/66/780975266.db2.gz CNNAUCJNWICODD-MRXNPFEDSA-N 0 3 297.402 2.710 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034480203 780981076 /nfs/dbraw/zinc/98/10/76/780981076.db2.gz GYIGKSDTRFFGRT-GOEBONIOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001034496840 780983433 /nfs/dbraw/zinc/98/34/33/780983433.db2.gz XPWQQLQRUROWQQ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001045539338 781029659 /nfs/dbraw/zinc/02/96/59/781029659.db2.gz QJINPCAIJSMVLA-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC=CCC1)CC2 ZINC001035646917 781154817 /nfs/dbraw/zinc/15/48/17/781154817.db2.gz FKURKXXMSSCLJX-MRXNPFEDSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCC3)CC2 ZINC001035805978 781173139 /nfs/dbraw/zinc/17/31/39/781173139.db2.gz PWPIWGRNUNRLER-HNNXBMFYSA-N 0 3 288.435 2.677 20 30 CFEDHN CC1(C)C[C@@H](CNCc2nc(C#N)cs2)C(C)(C)O1 ZINC000709666963 781297517 /nfs/dbraw/zinc/29/75/17/781297517.db2.gz GDPYVPMIIAYOIO-JTQLQIEISA-N 0 3 279.409 2.698 20 30 CFEDHN CCCCCCCC(=O)NC1CCN(CCOC)CC1 ZINC000141456429 781369578 /nfs/dbraw/zinc/36/95/78/781369578.db2.gz GWXWSITZXGSHBN-UHFFFAOYSA-N 0 3 284.444 2.574 20 30 CFEDHN CC[C@H](CC#N)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711401048 781424931 /nfs/dbraw/zinc/42/49/31/781424931.db2.gz NRRRBEIEBARMTQ-UPJWGTAASA-N 0 3 281.400 2.572 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001079694514 781615357 /nfs/dbraw/zinc/61/53/57/781615357.db2.gz FCYPEDALDTUBPM-OWCLPIDISA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079752249 781617940 /nfs/dbraw/zinc/61/79/40/781617940.db2.gz AUUACXXUBSEVSZ-BRWVUGGUSA-N 0 3 288.435 2.583 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001079963558 781629162 /nfs/dbraw/zinc/62/91/62/781629162.db2.gz ISGIKETUZIQGJB-FHLIZLRMSA-N 0 3 298.430 2.729 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001080300350 781645814 /nfs/dbraw/zinc/64/58/14/781645814.db2.gz OWEKOFQEDNYNJH-CZUORRHYSA-N 0 3 289.423 2.593 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080395901 781653604 /nfs/dbraw/zinc/65/36/04/781653604.db2.gz QSILAEOOUPRCTC-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001080524387 781668487 /nfs/dbraw/zinc/66/84/87/781668487.db2.gz KAKZEMYEEMRIIC-BMFZPTHFSA-N 0 3 290.382 2.710 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001080866946 781680579 /nfs/dbraw/zinc/68/05/79/781680579.db2.gz GTFKRSOUKPXFGZ-TZMCWYRMSA-N 0 3 292.448 2.530 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@H]2CCCCC2(C)C)CCC1 ZINC001273207830 781749299 /nfs/dbraw/zinc/74/92/99/781749299.db2.gz FDHVGHPRXPQFBI-HNNXBMFYSA-N 0 3 290.451 2.855 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001084255573 781781457 /nfs/dbraw/zinc/78/14/57/781781457.db2.gz OFNZOZGWNHQHMP-UUAJXVIYSA-N 0 3 288.435 2.531 20 30 CFEDHN CCCCCCCOC(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001278353642 781789352 /nfs/dbraw/zinc/78/93/52/781789352.db2.gz MSDHROPOSPVLSN-KBPBESRZSA-N 0 3 268.401 2.872 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(CC[C@H](C)F)C[C@H]21 ZINC001084574082 781802524 /nfs/dbraw/zinc/80/25/24/781802524.db2.gz PKXNHXBNYXKKEX-RRFJBIMHSA-N 0 3 296.430 2.870 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001084590384 781807972 /nfs/dbraw/zinc/80/79/72/781807972.db2.gz HECZAKWEKWPUCX-RBSFLKMASA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001084622963 781810761 /nfs/dbraw/zinc/81/07/61/781810761.db2.gz RXMHWLZDUULQGV-QZTJIDSGSA-N 0 3 298.430 2.646 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001084613718 781810909 /nfs/dbraw/zinc/81/09/09/781810909.db2.gz RZNACGGETGFJQQ-GDBMZVCRSA-N 0 3 299.418 2.615 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCOCC ZINC001098933187 781874391 /nfs/dbraw/zinc/87/43/91/781874391.db2.gz UBEVJZWRMSEYHD-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC3(C)C)C[C@@H]21 ZINC001085010846 781881336 /nfs/dbraw/zinc/88/13/36/781881336.db2.gz BULLAUYAHIEZSJ-OAGGEKHMSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCCCC ZINC001231062681 781900410 /nfs/dbraw/zinc/90/04/10/781900410.db2.gz RZGRIFQFOMIEFZ-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)F ZINC001085114802 781918123 /nfs/dbraw/zinc/91/81/23/781918123.db2.gz LTXARPBCWFMAMP-GHMZBOCLSA-N 0 3 276.783 2.504 20 30 CFEDHN CC(C)(CCC#N)CNCc1cc2n(n1)CCCC2 ZINC000594506933 349434194 /nfs/dbraw/zinc/43/41/94/349434194.db2.gz ZSKWGKKMUHWRGX-UHFFFAOYSA-N 0 3 260.385 2.639 20 30 CFEDHN C[C@@H](Cc1ccccn1)NCc1cc(C#N)cs1 ZINC000594517187 349439312 /nfs/dbraw/zinc/43/93/12/349439312.db2.gz HNYUJIQYDLUHOZ-NSHDSACASA-N 0 3 257.362 2.736 20 30 CFEDHN C[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)N1CCCC1 ZINC000594516586 349439374 /nfs/dbraw/zinc/43/93/74/349439374.db2.gz BIJMEUNRDRTOMQ-AWEZNQCLSA-N 0 3 299.418 2.588 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594519832 349440271 /nfs/dbraw/zinc/44/02/71/349440271.db2.gz LRSMRIFTOXDEID-SJORKVTESA-N 0 3 287.382 2.804 20 30 CFEDHN CCC(C)(C)N1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000594592338 349453894 /nfs/dbraw/zinc/45/38/94/349453894.db2.gz VQXYCSULJZVJAL-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN N#Cc1cccc(NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000594597627 349456174 /nfs/dbraw/zinc/45/61/74/349456174.db2.gz PVJONUGHHNNQEO-QGZVFWFLSA-N 0 3 285.391 2.614 20 30 CFEDHN N#Cc1c2c(cnc1N[C@H]1CCCN3CCCC[C@@H]13)CCC2 ZINC000594598785 349456828 /nfs/dbraw/zinc/45/68/28/349456828.db2.gz HUVVQHCHLBQNTG-IRXDYDNUSA-N 0 3 296.418 2.871 20 30 CFEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)CO)cc1 ZINC000127640842 187321825 /nfs/dbraw/zinc/32/18/25/187321825.db2.gz QLVCDIUGSGJGTK-RYUDHWBXSA-N 0 3 269.772 2.849 20 30 CFEDHN N#Cc1ncn(CCNCc2cccc(C3CCCC3)c2)n1 ZINC000594941647 349521157 /nfs/dbraw/zinc/52/11/57/349521157.db2.gz YBBQNTWQOQCTCC-UHFFFAOYSA-N 0 3 295.390 2.597 20 30 CFEDHN CC(C)(CC#N)CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594945624 349523570 /nfs/dbraw/zinc/52/35/70/349523570.db2.gz GWBVRBAHYZLOTL-INIZCTEOSA-N 0 3 288.391 2.884 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594948758 349525044 /nfs/dbraw/zinc/52/50/44/349525044.db2.gz BHDTVGPCMOMAPX-APHBMKBZSA-N 0 3 298.386 2.725 20 30 CFEDHN Cc1cc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)ccc1C#N ZINC000594964743 349532873 /nfs/dbraw/zinc/53/28/73/349532873.db2.gz FTVQUOWSOQESNO-GUXCAODWSA-N 0 3 290.432 2.646 20 30 CFEDHN C=CCCSCCNCc1nn(C)c2ccccc12 ZINC000594960182 349530144 /nfs/dbraw/zinc/53/01/44/349530144.db2.gz MMQWBWBUJWZXDN-UHFFFAOYSA-N 0 3 275.421 2.972 20 30 CFEDHN Cn1cccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594969809 349535331 /nfs/dbraw/zinc/53/53/31/349535331.db2.gz XFXVQJKIYAFGEU-UHFFFAOYSA-N 0 3 253.349 2.922 20 30 CFEDHN C=CCC1(NCc2ccc(C#N)cc2F)CCOCC1 ZINC000594973393 349535691 /nfs/dbraw/zinc/53/56/91/349535691.db2.gz AGEHGMIJCCYVLU-UHFFFAOYSA-N 0 3 274.339 2.912 20 30 CFEDHN C#Cc1ccc(CNCc2ccnc(N3CCCC3)c2)cc1 ZINC000290161013 197614619 /nfs/dbraw/zinc/61/46/19/197614619.db2.gz LUOYAUXFPBUSIT-UHFFFAOYSA-N 0 3 291.398 2.953 20 30 CFEDHN COc1cc(CNC[C@]2(C)CC2(F)F)ccc1C#N ZINC000594976830 349536709 /nfs/dbraw/zinc/53/67/09/349536709.db2.gz HAHUEBXSIHUNII-ZDUSSCGKSA-N 0 3 266.291 2.702 20 30 CFEDHN Cn1cc(C[C@H]2CCC[C@H]2NCc2ccccc2C#N)cn1 ZINC000594979390 349537838 /nfs/dbraw/zinc/53/78/38/349537838.db2.gz KEIXJBZWIRPAIC-CRAIPNDOSA-N 0 3 294.402 2.793 20 30 CFEDHN COc1cc(CNC[C@@H]2CCC[C@@H](C)O2)ccc1C#N ZINC000594988104 349539993 /nfs/dbraw/zinc/53/99/93/349539993.db2.gz YWICWJJLGDOMIM-DOMZBBRYSA-N 0 3 274.364 2.614 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000594986694 349540095 /nfs/dbraw/zinc/54/00/95/349540095.db2.gz GJRSSMXDVCEKBV-HZPDHXFCSA-N 0 3 284.403 2.881 20 30 CFEDHN COc1cc(CN[C@H](C)CSCCF)ccc1C#N ZINC000595046888 349562650 /nfs/dbraw/zinc/56/26/50/349562650.db2.gz CUQNYIVQMPLBNA-LLVKDONJSA-N 0 3 282.384 2.748 20 30 CFEDHN C[C@@H](CSCCF)NCc1ccc(C#N)c(F)c1 ZINC000595049977 349564943 /nfs/dbraw/zinc/56/49/43/349564943.db2.gz DQRKLANGQDDPNT-JTQLQIEISA-N 0 3 270.348 2.878 20 30 CFEDHN CCO[C@H]1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000595067179 349573440 /nfs/dbraw/zinc/57/34/40/349573440.db2.gz LTNBEJIPUQYABS-LERXQTSPSA-N 0 3 262.328 2.915 20 30 CFEDHN COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000595066234 349572529 /nfs/dbraw/zinc/57/25/29/349572529.db2.gz GVMKJORDRZKWRX-INWMFGNUSA-N 0 3 274.364 2.665 20 30 CFEDHN C=CCOCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595078014 349575120 /nfs/dbraw/zinc/57/51/20/349575120.db2.gz RURGFEYHRGGQKF-GFCCVEGCSA-N 0 3 294.351 2.847 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595089480 349577254 /nfs/dbraw/zinc/57/72/54/349577254.db2.gz IWUPEWXLFBMLGW-TUKIKUTGSA-N 0 3 256.349 2.512 20 30 CFEDHN CCCN1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000595097130 349580591 /nfs/dbraw/zinc/58/05/91/349580591.db2.gz PTRGEMBXLAERMS-TZMCWYRMSA-N 0 3 275.371 2.832 20 30 CFEDHN CC[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000125309966 187178912 /nfs/dbraw/zinc/17/89/12/187178912.db2.gz RWGWPGYSZUOULX-STQMWFEESA-N 0 3 271.364 2.617 20 30 CFEDHN N#CC1(CC(=O)N2C[C@H](N)Cc3ccccc32)CCCCC1 ZINC000595251825 349587134 /nfs/dbraw/zinc/58/71/34/349587134.db2.gz XYWQALSVNYNAMD-OAHLLOKOSA-N 0 3 297.402 2.767 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000595251757 349587497 /nfs/dbraw/zinc/58/74/97/349587497.db2.gz WXRVMSQGJAWQCW-ZIAGYGMSSA-N 0 3 277.412 2.627 20 30 CFEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CCCCC#N)[C@H](C)C2 ZINC000595256747 349587842 /nfs/dbraw/zinc/58/78/42/349587842.db2.gz DPFLZNSSJGEICF-COXVUDFISA-N 0 3 299.418 2.756 20 30 CFEDHN N#Cc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000068134541 346836782 /nfs/dbraw/zinc/83/67/82/346836782.db2.gz CGKYKVSUBCZXJI-KRWDZBQOSA-N 0 3 297.402 2.649 20 30 CFEDHN C=CCCSCCNC(=O)C[C@H](N)c1ccccc1 ZINC000595257245 349588491 /nfs/dbraw/zinc/58/84/91/349588491.db2.gz RLDNORRSPLSQTA-AWEZNQCLSA-N 0 3 278.421 2.502 20 30 CFEDHN CCCN(Cc1ccccc1F)C(=O)[C@H](N)CCCC#N ZINC000595257392 349588500 /nfs/dbraw/zinc/58/85/00/349588500.db2.gz JSDZXIQUFQTOJF-OAHLLOKOSA-N 0 3 291.370 2.585 20 30 CFEDHN CN(C[C@@H]1CCc2ccccc21)C(=O)[C@@H](N)CCCCC#N ZINC000595258292 349589370 /nfs/dbraw/zinc/58/93/70/349589370.db2.gz BMBKHCJOEZIVBZ-RDJZCZTQSA-N 0 3 299.418 2.586 20 30 CFEDHN N#Cc1cccnc1N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595288518 349591074 /nfs/dbraw/zinc/59/10/74/349591074.db2.gz NBPKJLBLCHBISG-HLLBOEOZSA-N 0 3 296.418 2.511 20 30 CFEDHN N#CCCN1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000595393382 349615344 /nfs/dbraw/zinc/61/53/44/349615344.db2.gz ZWZKMJHRZBHXJN-QGZVFWFLSA-N 0 3 283.419 2.638 20 30 CFEDHN CCN1C[C@@H](C)N(CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595404791 349617027 /nfs/dbraw/zinc/61/70/27/349617027.db2.gz NRPDVLUULBAVKA-HUUCEWRRSA-N 0 3 271.408 2.515 20 30 CFEDHN N#Cc1cccc(N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)n1 ZINC000595434814 349624761 /nfs/dbraw/zinc/62/47/61/349624761.db2.gz FXAMGGBOIRQUGP-OAGGEKHMSA-N 0 3 296.418 2.511 20 30 CFEDHN N#Cc1cccc(N2CCN(CCCC3CCC3)CC2)n1 ZINC000595435047 349624811 /nfs/dbraw/zinc/62/48/11/349624811.db2.gz KGGKNLBIHHTJGB-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000068838092 346874079 /nfs/dbraw/zinc/87/40/79/346874079.db2.gz XNIPESFKJGESHM-YCPHGPKFSA-N 0 3 279.428 2.551 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CCc2ccccc2)c(F)c1 ZINC000273136947 192054419 /nfs/dbraw/zinc/05/44/19/192054419.db2.gz NQRLXONLQCMJNQ-QGZVFWFLSA-N 0 3 298.361 2.781 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000069047241 346881571 /nfs/dbraw/zinc/88/15/71/346881571.db2.gz POYHFDNHYZGCPO-UHFFFAOYSA-N 0 3 299.418 2.699 20 30 CFEDHN N#Cc1ccc(C2(NCCO[C@@H]3CC3(F)F)CCC2)cc1 ZINC000595564221 349661685 /nfs/dbraw/zinc/66/16/85/349661685.db2.gz YNOMDGSGAMYHOK-CQSZACIVSA-N 0 3 292.329 2.951 20 30 CFEDHN N#CC[C@@H]1CCCN(CCOCCOc2ccccc2)C1 ZINC000595611296 349675044 /nfs/dbraw/zinc/67/50/44/349675044.db2.gz IYJGJAUZYHTLSP-INIZCTEOSA-N 0 3 288.391 2.708 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000595611277 349675180 /nfs/dbraw/zinc/67/51/80/349675180.db2.gz IOYDRXIULLUPHQ-HNNXBMFYSA-N 0 3 297.402 2.591 20 30 CFEDHN C=C(C)CCN1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595622261 349680381 /nfs/dbraw/zinc/68/03/81/349680381.db2.gz WTDHEVMLTOESSF-MNOVXSKESA-N 0 3 279.302 2.626 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000595623341 349680892 /nfs/dbraw/zinc/68/08/92/349680892.db2.gz NLDLVFPLLUGTOT-SJLPKXTDSA-N 0 3 299.418 2.517 20 30 CFEDHN COC[C@@H](NCCC(C)(C)C#N)c1cccc(OC)c1 ZINC000595683801 349699443 /nfs/dbraw/zinc/69/94/43/349699443.db2.gz KZFUAOQIFYSQFT-OAHLLOKOSA-N 0 3 276.380 2.912 20 30 CFEDHN COc1ccc(CN2CCCC[C@H]2[C@@H](C)CO)cc1C#N ZINC000595676759 349696968 /nfs/dbraw/zinc/69/69/68/349696968.db2.gz NZTVGPPEXXEPJX-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)[C@@H]1CCO ZINC000595698604 349707573 /nfs/dbraw/zinc/70/75/73/349707573.db2.gz NGQFPSUDWCTPIR-RHSMWYFYSA-N 0 3 297.402 2.794 20 30 CFEDHN C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000269850537 190559671 /nfs/dbraw/zinc/55/96/71/190559671.db2.gz XNWVXRZZSXMKDX-LSDHHAIUSA-N 0 3 299.418 2.542 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595743366 349721742 /nfs/dbraw/zinc/72/17/42/349721742.db2.gz MXTILLWWCZKNJF-UPJWGTAASA-N 0 3 258.365 2.568 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000595831231 349745644 /nfs/dbraw/zinc/74/56/44/349745644.db2.gz ZFKJRAJFBFFHLA-HOCLYGCPSA-N 0 3 297.402 2.564 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000595757975 349725333 /nfs/dbraw/zinc/72/53/33/349725333.db2.gz LQEBJLGFDBTUAM-DAXOMENPSA-N 0 3 256.349 2.588 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H]2COC[C@]2(C)C1 ZINC000595757976 349725531 /nfs/dbraw/zinc/72/55/31/349725531.db2.gz LQEBJLGFDBTUAM-KCXAZCMYSA-N 0 3 256.349 2.588 20 30 CFEDHN CC[C@@H](CNC1(c2cccc(C#N)c2)CCOCC1)OC ZINC000595769353 349728080 /nfs/dbraw/zinc/72/80/80/349728080.db2.gz QDLZTFYUQHYSFK-INIZCTEOSA-N 0 3 288.391 2.579 20 30 CFEDHN C[C@H](CCC#N)N1CCC([C@H]2CCCCO2)CC1 ZINC000595782896 349732905 /nfs/dbraw/zinc/73/29/05/349732905.db2.gz JNLGYGXGHCXDTF-UKRRQHHQSA-N 0 3 250.386 2.960 20 30 CFEDHN CC1(C)C[C@]1(NCCOCCC#N)c1ccccc1 ZINC000595910895 349767778 /nfs/dbraw/zinc/76/77/78/349767778.db2.gz UFVFSCZIVRTHDL-INIZCTEOSA-N 0 3 258.365 2.832 20 30 CFEDHN CN(C[C@H]1CC1(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595908602 349766145 /nfs/dbraw/zinc/76/61/45/349766145.db2.gz IUSVEIAWASTQRB-GDBMZVCRSA-N 0 3 297.402 2.641 20 30 CFEDHN CN(C[C@@H]1CC1(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595908603 349766153 /nfs/dbraw/zinc/76/61/53/349766153.db2.gz IUSVEIAWASTQRB-GOEBONIOSA-N 0 3 297.402 2.641 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595832947 349747439 /nfs/dbraw/zinc/74/74/39/349747439.db2.gz KNQOPILEKZFKMK-GOEBONIOSA-N 0 3 291.439 2.507 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC1(C)C ZINC000595911484 349767316 /nfs/dbraw/zinc/76/73/16/349767316.db2.gz XCFVMDUHJOLVHJ-OCCSQVGLSA-N 0 3 285.391 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](CCC)C(=O)OCC ZINC000595845004 349754119 /nfs/dbraw/zinc/75/41/19/349754119.db2.gz KEICPTUBQMDGPG-HZSPNIEDSA-N 0 3 251.370 2.901 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595849328 349755199 /nfs/dbraw/zinc/75/51/99/349755199.db2.gz GOHPRLYVFDNKBU-QGZVFWFLSA-N 0 3 299.418 2.603 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000596002114 349775642 /nfs/dbraw/zinc/77/56/42/349775642.db2.gz RPTILTZHMUIHCY-BFHRDPOASA-N 0 3 297.402 2.545 20 30 CFEDHN N#CCCCCC(N)C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000596002114 349775646 /nfs/dbraw/zinc/77/56/46/349775646.db2.gz RPTILTZHMUIHCY-BFHRDPOASA-N 0 3 297.402 2.545 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@@H]1CC1(C)C ZINC000595915475 349769132 /nfs/dbraw/zinc/76/91/32/349769132.db2.gz ZRQHBHXTCDDOPW-KBPBESRZSA-N 0 3 291.439 2.695 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1cc(F)ccc1F ZINC000354666066 529652528 /nfs/dbraw/zinc/65/25/28/529652528.db2.gz ZOOBIQPHVBVINK-QPUJVOFHSA-N 0 3 252.264 2.692 20 30 CFEDHN CCc1nc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)co1 ZINC000330021303 529705149 /nfs/dbraw/zinc/70/51/49/529705149.db2.gz XOZUYBBGAMNYBN-LLVKDONJSA-N 0 3 277.368 2.559 20 30 CFEDHN CCc1ccc([C@@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000335964245 529715586 /nfs/dbraw/zinc/71/55/86/529715586.db2.gz QPSCXVPFTPIOBE-IUODEOHRSA-N 0 3 256.349 2.725 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000072839932 346944006 /nfs/dbraw/zinc/94/40/06/346944006.db2.gz GIDCBDCFLTUDQQ-AWEZNQCLSA-N 0 3 290.407 2.976 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596160214 349812872 /nfs/dbraw/zinc/81/28/72/349812872.db2.gz BDIIMIDZUXXGPP-GMSGAONNSA-N 0 3 282.800 2.563 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H](CC)[C@@H](O)C(F)F)cc1 ZINC000295021371 199304185 /nfs/dbraw/zinc/30/41/85/199304185.db2.gz KQZUMECTZDTHKI-LSDHHAIUSA-N 0 3 297.345 2.583 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1csc(C(C)C)n1 ZINC000295037860 199313835 /nfs/dbraw/zinc/31/38/35/199313835.db2.gz PFBHNTAMKHXFQM-ZDUSSCGKSA-N 0 3 279.453 2.872 20 30 CFEDHN CN1CC[C@@H](Nc2ncc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000413214822 529796036 /nfs/dbraw/zinc/79/60/36/529796036.db2.gz WTMXHUDNDUKFHV-CVEARBPZSA-N 0 3 296.349 2.950 20 30 CFEDHN CCN1CCCN(c2ncc(Cl)c(C)c2C#N)[C@H](C)C1 ZINC000596270293 349848645 /nfs/dbraw/zinc/84/86/45/349848645.db2.gz YWMFUTRXBLNAMO-LLVKDONJSA-N 0 3 292.814 2.836 20 30 CFEDHN C#CCN(C)CCCN[C@H](CCC=C)c1ccco1 ZINC000295074407 199332090 /nfs/dbraw/zinc/33/20/90/199332090.db2.gz SKPDJINDJWKXJS-OAHLLOKOSA-N 0 3 260.381 2.832 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1O ZINC000352668473 529822920 /nfs/dbraw/zinc/82/29/20/529822920.db2.gz SDTJHCUQOLLGBT-CABCVRRESA-N 0 3 263.768 2.537 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@@H]1CCN1C(C)(C)C ZINC000596305889 349858404 /nfs/dbraw/zinc/85/84/04/349858404.db2.gz CBMYUEVKRUVBCX-ZDUSSCGKSA-N 0 3 258.369 2.546 20 30 CFEDHN Cc1ccnc(NC[C@@H]2CCN2C(C)(C)C)c1C#N ZINC000596307352 349858417 /nfs/dbraw/zinc/85/84/17/349858417.db2.gz LBYSZVLHALELIH-LBPRGKRZSA-N 0 3 258.369 2.546 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1cc(C#N)nc2ccccc21 ZINC000596306888 349857722 /nfs/dbraw/zinc/85/77/22/349857722.db2.gz JNIWQULMKPMMLP-AWEZNQCLSA-N 0 3 294.402 2.813 20 30 CFEDHN C=CCOCC(=O)N(C)C[C@@H]1CCN1CCCCCCC ZINC001231247631 781923975 /nfs/dbraw/zinc/92/39/75/781923975.db2.gz PTELMGSQUWEBOZ-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN CCN(CC)[C@@H](C)CNc1cc(C(C)=O)ccc1C#N ZINC000273181535 192067800 /nfs/dbraw/zinc/06/78/00/192067800.db2.gz HDDOSICOURMSKR-LBPRGKRZSA-N 0 3 273.380 2.903 20 30 CFEDHN CC(C(=O)N(CC#N)c1ccccc1)C(F)(F)F ZINC000074725245 347029015 /nfs/dbraw/zinc/02/90/15/347029015.db2.gz STMUCWDGFMFAQP-VIFPVBQESA-N 0 3 256.227 2.742 20 30 CFEDHN CN(CC1CN(C)C1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000596453900 349906958 /nfs/dbraw/zinc/90/69/58/349906958.db2.gz MMETWDDDDKBAMO-UHFFFAOYSA-N 0 3 283.297 2.575 20 30 CFEDHN CN(C)Cc1cccc(NCc2ccc(C#N)o2)c1 ZINC000156517717 232234091 /nfs/dbraw/zinc/23/40/91/232234091.db2.gz CVVXMAAPJNDAKY-UHFFFAOYSA-N 0 3 255.321 2.825 20 30 CFEDHN CCCCNC(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000029926443 346284540 /nfs/dbraw/zinc/28/45/40/346284540.db2.gz MQQSMAINWMBDAO-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN CCOC[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000313465811 260296653 /nfs/dbraw/zinc/29/66/53/260296653.db2.gz DNUSMBHYBKBJCQ-MRXNPFEDSA-N 0 3 258.365 2.949 20 30 CFEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000032730240 346307557 /nfs/dbraw/zinc/30/75/57/346307557.db2.gz HIDISGRWZGRSGO-KBPBESRZSA-N 0 3 285.391 2.551 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1 ZINC000042105659 346360595 /nfs/dbraw/zinc/36/05/95/346360595.db2.gz GKBPCVKQRWCIKM-OAHLLOKOSA-N 0 3 287.407 2.518 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCCCC1 ZINC000043999955 346388812 /nfs/dbraw/zinc/38/88/12/346388812.db2.gz YOUVPMJRMVXVND-YOEHRIQHSA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000044898403 346400995 /nfs/dbraw/zinc/40/09/95/346400995.db2.gz FKSOHIFUJLINHI-UHFFFAOYSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCN(CCC(=O)Nc1cc(C)on1)Cc1ccccc1 ZINC000045821989 346415228 /nfs/dbraw/zinc/41/52/28/346415228.db2.gz OAWJCIOETXANFZ-UHFFFAOYSA-N 0 3 299.374 3.000 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1cccc(C)c1 ZINC000046342178 346425769 /nfs/dbraw/zinc/42/57/69/346425769.db2.gz BQCIDXHNQJBYBV-HNNXBMFYSA-N 0 3 263.381 2.633 20 30 CFEDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000047405016 346449887 /nfs/dbraw/zinc/44/98/87/346449887.db2.gz NQXCFHNYTAIGEQ-LBPRGKRZSA-N 0 3 288.351 2.610 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)C1CCCC1 ZINC000047965604 346461851 /nfs/dbraw/zinc/46/18/51/346461851.db2.gz YUISEJLBCUYWJT-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C=C(C)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046130 346464738 /nfs/dbraw/zinc/46/47/38/346464738.db2.gz GISPONBCKLZNLZ-CQSZACIVSA-N 0 3 264.413 2.533 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)c(F)c2)nc(C)n1 ZINC000049405169 346483214 /nfs/dbraw/zinc/48/32/14/346483214.db2.gz RURBHXDSOLISSI-NSHDSACASA-N 0 3 287.269 2.862 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000053065370 346537301 /nfs/dbraw/zinc/53/73/01/346537301.db2.gz DBWLKGNSKJQHDX-CVEARBPZSA-N 0 3 276.424 2.842 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1CC(C)(C)C ZINC000060890068 346672992 /nfs/dbraw/zinc/67/29/92/346672992.db2.gz OAPPYKNJTSRKCP-WMLDXEAASA-N 0 3 293.455 2.941 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1ccc(F)cc1 ZINC000059394288 346656726 /nfs/dbraw/zinc/65/67/26/346656726.db2.gz JZIWMTBKSRLPKD-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCCN(CCCC#N)C1 ZINC000063626935 346705667 /nfs/dbraw/zinc/70/56/67/346705667.db2.gz MUHDAGSMTMLMBH-CYBMUJFWSA-N 0 3 281.400 2.527 20 30 CFEDHN Cc1ccc([C@@H](CNC(=O)C2(C#N)CCCC2)N(C)C)cc1 ZINC000067268354 346796476 /nfs/dbraw/zinc/79/64/76/346796476.db2.gz ALSCZPXHCBOSQZ-MRXNPFEDSA-N 0 3 299.418 2.798 20 30 CFEDHN Cc1ccc([C@@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000067383169 346800319 /nfs/dbraw/zinc/80/03/19/346800319.db2.gz SEOWJERIGSLPKV-MRXNPFEDSA-N 0 3 280.375 2.977 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000079121572 347290527 /nfs/dbraw/zinc/29/05/27/347290527.db2.gz QZSXVDICFHSFBO-MRXNPFEDSA-N 0 3 289.423 2.897 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2c1cccc2OC ZINC000090883985 347560375 /nfs/dbraw/zinc/56/03/75/347560375.db2.gz GOWVCBYRWXZELL-HNNXBMFYSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2c1cccc2OC ZINC000090883986 347560874 /nfs/dbraw/zinc/56/08/74/347560874.db2.gz GOWVCBYRWXZELL-OAHLLOKOSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCc3cc(C)ccc32)CC1 ZINC000091218539 347578644 /nfs/dbraw/zinc/57/86/44/347578644.db2.gz OLWQUTXFPYWIQE-UHFFFAOYSA-N 0 3 299.418 2.718 20 30 CFEDHN CN(CCNc1ccc2cc(C#N)ccc2n1)C1CC1 ZINC000091459595 347588382 /nfs/dbraw/zinc/58/83/82/347588382.db2.gz GLORMPKOGMMBDW-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN CCN(Cc1ccc(OCCN(C)C)cc1)C[C@@H](C)C#N ZINC000091982522 347605268 /nfs/dbraw/zinc/60/52/68/347605268.db2.gz UNVUBMCBJMFMMO-HNNXBMFYSA-N 0 3 289.423 2.609 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2c1cccc2OC ZINC000090451360 347549522 /nfs/dbraw/zinc/54/95/22/347549522.db2.gz OXOYNKXCZZOQGI-OAHLLOKOSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCc1cc(CN2CC[C@H](C)C2)cc(OC)c1O ZINC000092471357 347627431 /nfs/dbraw/zinc/62/74/31/347627431.db2.gz RIVDHIQRHVVQFS-LBPRGKRZSA-N 0 3 261.365 2.971 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000092072898 347609024 /nfs/dbraw/zinc/60/90/24/347609024.db2.gz RBBPVLZOFUPRAF-MRXNPFEDSA-N 0 3 295.386 2.801 20 30 CFEDHN N#Cc1ccc(CNC2(CO)CCCCC2)c(Cl)c1 ZINC000162699674 348031538 /nfs/dbraw/zinc/03/15/38/348031538.db2.gz CWLNHNMBIKONGA-UHFFFAOYSA-N 0 3 278.783 2.996 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2cc(C)ccc2C)CC1 ZINC000164737935 348037096 /nfs/dbraw/zinc/03/70/96/348037096.db2.gz AGFUMKRVIUEFLA-KRWDZBQOSA-N 0 3 288.435 2.753 20 30 CFEDHN C[C@@H](C(=O)N[C@@H](C)CN1CCCCC1)c1cccc(C#N)c1 ZINC000359982616 295782982 /nfs/dbraw/zinc/78/29/82/295782982.db2.gz XQJQSWFHTNAZMX-LSDHHAIUSA-N 0 3 299.418 2.652 20 30 CFEDHN C=CCCNCc1ccc(C(=O)OC)cc1Br ZINC000226717174 348184681 /nfs/dbraw/zinc/18/46/81/348184681.db2.gz KIOMBGMPTKPWNT-UHFFFAOYSA-N 0 3 298.180 2.901 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000668594824 539604950 /nfs/dbraw/zinc/60/49/50/539604950.db2.gz HIVPSBMSMZNTPG-RDJZCZTQSA-N 0 3 273.376 2.720 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H](C)N2CCC[C@@H](C)C2)n1 ZINC000245696785 348257097 /nfs/dbraw/zinc/25/70/97/348257097.db2.gz BOABUAFORRTFJA-OCCSQVGLSA-N 0 3 272.396 2.794 20 30 CFEDHN C#C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000289662761 348350262 /nfs/dbraw/zinc/35/02/62/348350262.db2.gz YSEBNZGCPDBBAA-LBPRGKRZSA-N 0 3 267.756 2.802 20 30 CFEDHN N#CCCCNCc1cc2c(c(Br)c1)OCO2 ZINC000273024858 348333045 /nfs/dbraw/zinc/33/30/45/348333045.db2.gz FDBZGUMOANWDPX-UHFFFAOYSA-N 0 3 297.152 2.571 20 30 CFEDHN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)C(C)C#N ZINC000335999107 348450315 /nfs/dbraw/zinc/45/03/15/348450315.db2.gz MCBGKMOPCPLUAR-IAQYHMDHSA-N 0 3 272.348 2.691 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC3(CCC3)C[C@@H]2C)CC1 ZINC000336418279 348451233 /nfs/dbraw/zinc/45/12/33/348451233.db2.gz WLCZYOYWYPQHAG-AWEZNQCLSA-N 0 3 291.439 2.611 20 30 CFEDHN Cc1ccccc1CN1CCC(NC(=O)[C@@H](C)CC#N)CC1 ZINC000596829145 349994516 /nfs/dbraw/zinc/99/45/16/349994516.db2.gz JJUPZPZBBCGKFE-HNNXBMFYSA-N 0 3 299.418 2.625 20 30 CFEDHN Cc1c(Cl)cnc(NC2CCN(C3CC3)CC2)c1C#N ZINC000273415441 192143547 /nfs/dbraw/zinc/14/35/47/192143547.db2.gz YFSSUUGONTXILJ-UHFFFAOYSA-N 0 3 290.798 2.954 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(c2cccc(OC)c2)CC1 ZINC000364848655 348510421 /nfs/dbraw/zinc/51/04/21/348510421.db2.gz CGDQLPUSXDVCNR-CQSZACIVSA-N 0 3 287.407 2.946 20 30 CFEDHN CC#CCCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365424534 348511912 /nfs/dbraw/zinc/51/19/12/348511912.db2.gz XCNGAHBDYRYBRI-CABCVRRESA-N 0 3 292.423 2.731 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379711822 348522402 /nfs/dbraw/zinc/52/24/02/348522402.db2.gz GXYLOIYBECAXHZ-UAGQMJEPSA-N 0 3 299.418 2.705 20 30 CFEDHN Cc1cc(N[C@H]2CCN(C)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413162549 233026731 /nfs/dbraw/zinc/02/67/31/233026731.db2.gz OQRWYWUXZNLFCI-AAEUAGOBSA-N 0 3 288.351 2.670 20 30 CFEDHN C=CCn1cc(CN[C@H]2CC[C@@H](c3ccccc3)C2)nn1 ZINC000424166780 348610150 /nfs/dbraw/zinc/61/01/50/348610150.db2.gz BGKSTWLASKJZBS-CVEARBPZSA-N 0 3 282.391 2.890 20 30 CFEDHN CCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCCOC1 ZINC000404096875 348589600 /nfs/dbraw/zinc/58/96/00/348589600.db2.gz WIXUKUDAIOXNGI-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN CC(C)O[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000404670552 348593699 /nfs/dbraw/zinc/59/36/99/348593699.db2.gz BJDUNIGFQRFPRN-MRXNPFEDSA-N 0 3 258.365 2.948 20 30 CFEDHN CC(C)O[C@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000404693808 348594189 /nfs/dbraw/zinc/59/41/89/348594189.db2.gz KLXCZPXQCYOWHN-INIZCTEOSA-N 0 3 288.391 2.826 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000411764197 348603931 /nfs/dbraw/zinc/60/39/31/348603931.db2.gz DSWCPCMWKGIEAC-RDJZCZTQSA-N 0 3 271.408 2.537 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1ccc(CC#N)cc1)OC ZINC000399037275 348568315 /nfs/dbraw/zinc/56/83/15/348568315.db2.gz PJJQXWMZVBFDQM-XJKSGUPXSA-N 0 3 260.381 2.903 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncc2c(c1C#N)CCC2 ZINC000584835307 348720714 /nfs/dbraw/zinc/72/07/14/348720714.db2.gz TTYNINUWJJBOEE-ZIAGYGMSSA-N 0 3 298.434 2.974 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)CCCCCC#N)CC1 ZINC000588328273 348784528 /nfs/dbraw/zinc/78/45/28/348784528.db2.gz QJGGQUKCJYRCMW-UHFFFAOYSA-N 0 3 279.428 2.793 20 30 CFEDHN CC(C)(C)N1C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000589341400 348828098 /nfs/dbraw/zinc/82/80/98/348828098.db2.gz CISNEYAWSUMEQS-HOCLYGCPSA-N 0 3 297.402 2.535 20 30 CFEDHN Cc1nc(N[C@H]2CCN(CC3CC3)C2)c(Cl)cc1C#N ZINC000589686851 348850438 /nfs/dbraw/zinc/85/04/38/348850438.db2.gz QXYFHXFJPVFKCX-ZDUSSCGKSA-N 0 3 290.798 2.811 20 30 CFEDHN Cn1cc(CN2CC(C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000589736731 348853591 /nfs/dbraw/zinc/85/35/91/348853591.db2.gz FRWYNCRFYRKZTC-UHFFFAOYSA-N 0 3 292.386 2.801 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)C[C@@H](O)Cc1ccccc1 ZINC000590120675 348875303 /nfs/dbraw/zinc/87/53/03/348875303.db2.gz OSCCCDSDYJXUIT-IBGZPJMESA-N 0 3 294.398 2.902 20 30 CFEDHN CCCN(CCOCCC#N)Cc1ccc(OC)cc1 ZINC000590155028 348879705 /nfs/dbraw/zinc/87/97/05/348879705.db2.gz NGUUMCWMSIPDSG-UHFFFAOYSA-N 0 3 276.380 2.837 20 30 CFEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCOCCC#N ZINC000590171248 348882368 /nfs/dbraw/zinc/88/23/68/348882368.db2.gz KKMUEESYIXDOFH-GHMZBOCLSA-N 0 3 264.291 2.579 20 30 CFEDHN CC1(C)OCC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000590254435 348887281 /nfs/dbraw/zinc/88/72/81/348887281.db2.gz LQBWYJCOAQPCHB-CYBMUJFWSA-N 0 3 264.756 2.869 20 30 CFEDHN C[C@@]12CN(Cc3ccnc(C#N)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000590753788 348943151 /nfs/dbraw/zinc/94/31/51/348943151.db2.gz PLTPHNBTPHQBPA-OHFALNGGSA-N 0 3 265.360 2.597 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000590752611 348943228 /nfs/dbraw/zinc/94/32/28/348943228.db2.gz ZEFWNINMABLEDI-GLQYFDAESA-N 0 3 272.348 2.551 20 30 CFEDHN CC1(C)COC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590780038 348949103 /nfs/dbraw/zinc/94/91/03/348949103.db2.gz ZDPSTBLTEXNXNU-CVEARBPZSA-N 0 3 270.376 2.950 20 30 CFEDHN CNCc1cccc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000591310708 349007313 /nfs/dbraw/zinc/00/73/13/349007313.db2.gz DMIXMOBZUMQCFQ-INIZCTEOSA-N 0 3 286.379 2.564 20 30 CFEDHN C[C@@H](N[C@@H]1COC(C)(C)C1)c1ccc(C#N)cc1F ZINC000591356391 349011550 /nfs/dbraw/zinc/01/15/50/349011550.db2.gz PFICEJAVHKPQBN-PWSUYJOCSA-N 0 3 262.328 2.915 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2N(C)C[C@@H]1CCCN1C ZINC000591464220 349025405 /nfs/dbraw/zinc/02/54/05/349025405.db2.gz PXWQTSFFEBNAJN-HNNXBMFYSA-N 0 3 294.402 2.945 20 30 CFEDHN CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000591614077 349034985 /nfs/dbraw/zinc/03/49/85/349034985.db2.gz GHJYUMAOUJJTRW-JKSUJKDBSA-N 0 3 285.391 2.544 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000591634777 349035213 /nfs/dbraw/zinc/03/52/13/349035213.db2.gz ZAAQGESRYCPIJR-ONGXEEELSA-N 0 3 280.274 2.790 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000592068497 349078182 /nfs/dbraw/zinc/07/81/82/349078182.db2.gz ZTZKKNDAFSJSMR-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CCC[C@@H]2CCOC2)CC1 ZINC000592122093 349085988 /nfs/dbraw/zinc/08/59/88/349085988.db2.gz WWEAOAXOVDJWLO-MRXNPFEDSA-N 0 3 299.418 2.755 20 30 CFEDHN N#CCCCN(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592138904 349090031 /nfs/dbraw/zinc/09/00/31/349090031.db2.gz FKCAEITVNOWBRE-QGZVFWFLSA-N 0 3 272.392 2.953 20 30 CFEDHN C[C@@H]1CCC[C@H](CCN2CC[C@@](O)(CC#N)C2)C1 ZINC000592151380 349091473 /nfs/dbraw/zinc/09/14/73/349091473.db2.gz NXUZSMBNFXEILY-KFWWJZLASA-N 0 3 250.386 2.553 20 30 CFEDHN C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@](O)(CC#N)C1 ZINC000592152774 349092772 /nfs/dbraw/zinc/09/27/72/349092772.db2.gz CXNMKNACSLTXRB-GUYCJALGSA-N 0 3 270.376 2.587 20 30 CFEDHN CC#CCCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592161123 349093665 /nfs/dbraw/zinc/09/36/65/349093665.db2.gz XZPCTUBPOVDEAI-UHFFFAOYSA-N 0 3 265.397 2.844 20 30 CFEDHN C[C@@H]1CC2(CN1Cc1ccccc1C#N)CCOCC2 ZINC000592182966 349095899 /nfs/dbraw/zinc/09/58/99/349095899.db2.gz FIVZAMKPLZGECV-CQSZACIVSA-N 0 3 270.376 2.949 20 30 CFEDHN CCCC[C@](C)(CO)NCc1ccc(C#N)cc1F ZINC000592374879 349111384 /nfs/dbraw/zinc/11/13/84/349111384.db2.gz NTENTWRNPCIRDJ-OAHLLOKOSA-N 0 3 264.344 2.728 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](c3cccnc3)C2)o1 ZINC000592375758 349111817 /nfs/dbraw/zinc/11/18/17/349111817.db2.gz YVVVSTJHOPCKBW-CZUORRHYSA-N 0 3 283.331 2.556 20 30 CFEDHN CC1(C)CN(Cc2cnc3c(C#N)cnn3c2)[C@H]2CCC[C@@H]21 ZINC000592514759 349130763 /nfs/dbraw/zinc/13/07/63/349130763.db2.gz ISIHEBKTQAZSSZ-GJZGRUSLSA-N 0 3 295.390 2.611 20 30 CFEDHN COc1ccc2ccccc2c1CN1CC[C@](O)(CC#N)C1 ZINC000592523527 349133636 /nfs/dbraw/zinc/13/36/36/349133636.db2.gz NWDOBXLZDJTYCE-GOSISDBHSA-N 0 3 296.370 2.699 20 30 CFEDHN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000592568683 349138220 /nfs/dbraw/zinc/13/82/20/349138220.db2.gz UPEIRBCROGITMV-ZNMIVQPWSA-N 0 3 291.439 2.682 20 30 CFEDHN N#CCCC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000592568413 349138293 /nfs/dbraw/zinc/13/82/93/349138293.db2.gz OSZJVIGSMYXUOP-INIZCTEOSA-N 0 3 285.391 2.619 20 30 CFEDHN CCCCN(C(=O)C(C)C#N)[C@@H]1CCc2ncsc2C1 ZINC000592901645 349176935 /nfs/dbraw/zinc/17/69/35/349176935.db2.gz MPKJUVKXYNRQCS-NWDGAFQWSA-N 0 3 291.420 2.789 20 30 CFEDHN CN(C)[C@@H](CNc1cccnc1C#N)c1cccc(F)c1 ZINC000274005279 192398353 /nfs/dbraw/zinc/39/83/53/192398353.db2.gz KGHDZIAZQOLFPW-INIZCTEOSA-N 0 3 284.338 2.807 20 30 CFEDHN Cc1cncc(CCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000593023611 349189610 /nfs/dbraw/zinc/18/96/10/349189610.db2.gz XMLSOXVRVHMLAN-LBPRGKRZSA-N 0 3 284.338 2.689 20 30 CFEDHN Cc1cncc(CCN(C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000593034823 349190705 /nfs/dbraw/zinc/19/07/05/349190705.db2.gz JOUBXAZTPOEVFX-CQSZACIVSA-N 0 3 280.375 2.892 20 30 CFEDHN C[C@@H]1[C@H](C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000593036227 349191221 /nfs/dbraw/zinc/19/12/21/349191221.db2.gz QVMPRQFXECZWTR-UTUOFQBUSA-N 0 3 273.336 2.943 20 30 CFEDHN C=CCOCCN1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593093729 349207584 /nfs/dbraw/zinc/20/75/84/349207584.db2.gz FHICZXBSMFTXEM-CQSZACIVSA-N 0 3 283.412 2.775 20 30 CFEDHN N#CCC1CCN(Cc2cc3cnccc3o2)CC1 ZINC000593614412 349298834 /nfs/dbraw/zinc/29/88/34/349298834.db2.gz SCECAUJWWKVHAK-UHFFFAOYSA-N 0 3 255.321 2.953 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000593403417 349261616 /nfs/dbraw/zinc/26/16/16/349261616.db2.gz NXGBDNAOKBWOHT-INIZCTEOSA-N 0 3 299.418 2.579 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000593410093 349262894 /nfs/dbraw/zinc/26/28/94/349262894.db2.gz IIIMZOBEZOIDMU-OCCSQVGLSA-N 0 3 293.436 2.797 20 30 CFEDHN CCC1(CC)[C@H](N(C)Cc2ccc(C#N)cn2)C[C@@H]1OC ZINC000593965316 349341628 /nfs/dbraw/zinc/34/16/28/349341628.db2.gz DEGGKHDEEMEJFP-CVEARBPZSA-N 0 3 287.407 2.979 20 30 CFEDHN N#Cc1ccc(C2(NCCOCC(F)F)CCC2)cc1 ZINC000594033080 349358332 /nfs/dbraw/zinc/35/83/32/349358332.db2.gz HEBNRMNGLMSTGE-UHFFFAOYSA-N 0 3 280.318 2.809 20 30 CFEDHN CN(C(=O)CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593995572 349348552 /nfs/dbraw/zinc/34/85/52/349348552.db2.gz XQKVBLUKFSIZMP-KRWDZBQOSA-N 0 3 299.418 2.803 20 30 CFEDHN C[C@H](NC(=O)CCCCC#N)[C@@H](c1ccccc1)N(C)C ZINC000594005018 349351574 /nfs/dbraw/zinc/35/15/74/349351574.db2.gz SYBQTRVYOHZBIE-YOEHRIQHSA-N 0 3 287.407 2.878 20 30 CFEDHN CC[C@@H](C#N)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000593682689 349309208 /nfs/dbraw/zinc/30/92/08/349309208.db2.gz BNAGDZWRADXQAA-HNNXBMFYSA-N 0 3 291.439 2.699 20 30 CFEDHN C[C@H](COCC1CC1)NCc1ccc(C#N)s1 ZINC000593682173 349309621 /nfs/dbraw/zinc/30/96/21/349309621.db2.gz PMKCZKOCNGGGEC-SNVBAGLBSA-N 0 3 250.367 2.524 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594195995 349393137 /nfs/dbraw/zinc/39/31/37/349393137.db2.gz JXAAOZMKPNQSHE-IRXDYDNUSA-N 0 3 297.402 2.613 20 30 CFEDHN CCOC(=O)CCN(Cc1ccc(C#N)s1)C(C)C ZINC000594051606 349364236 /nfs/dbraw/zinc/36/42/36/349364236.db2.gz RXHOOFYCIZZMRQ-UHFFFAOYSA-N 0 3 280.393 2.783 20 30 CFEDHN CC[C@H](C#N)N(C)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594094458 349375722 /nfs/dbraw/zinc/37/57/22/349375722.db2.gz KLSSUBUMXRCFFU-DLBZAZTESA-N 0 3 299.418 2.659 20 30 CFEDHN Cc1csc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000594111065 349379950 /nfs/dbraw/zinc/37/99/50/349379950.db2.gz QHGLZJYHWWXWRK-WDEREUQCSA-N 0 3 292.408 2.532 20 30 CFEDHN Cc1ccccc1C1(CNC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440160 349422487 /nfs/dbraw/zinc/42/24/87/349422487.db2.gz VENDJIZGUILHMP-MRXNPFEDSA-N 0 3 299.418 2.554 20 30 CFEDHN Cn1ccc2c1cccc2NC(=O)[C@H](N)CCCCC#N ZINC000594438413 349422780 /nfs/dbraw/zinc/42/27/80/349422780.db2.gz NQLBFZVQQJAABC-CYBMUJFWSA-N 0 3 284.363 2.528 20 30 CFEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(F)c1F ZINC000594443821 349423414 /nfs/dbraw/zinc/42/34/14/349423414.db2.gz VETZPQAWMRNCDE-ZWNOBZJWSA-N 0 3 295.333 2.553 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594443474 349423574 /nfs/dbraw/zinc/42/35/74/349423574.db2.gz IEIAPJGZOHSXOS-OFQRWUPVSA-N 0 3 287.407 2.706 20 30 CFEDHN Cc1ccc(C[C@@H](C)NC(=O)[C@H](N)CCCCC#N)s1 ZINC000594445018 349423709 /nfs/dbraw/zinc/42/37/09/349423709.db2.gz NUNJIADPBPJJFO-BXUZGUMPSA-N 0 3 293.436 2.515 20 30 CFEDHN Cc1cccc2c1CCCN2C(=O)[C@@H](N)CCCCC#N ZINC000594442148 349423772 /nfs/dbraw/zinc/42/37/72/349423772.db2.gz BMWZTDYKPVMOQQ-HNNXBMFYSA-N 0 3 285.391 2.686 20 30 CFEDHN CCC[C@@]1(C)CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594445089 349424619 /nfs/dbraw/zinc/42/46/19/349424619.db2.gz OYTWCMDQONONSV-ZBFHGGJFSA-N 0 3 279.428 2.826 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H]1CC2CCC1CC2 ZINC000594454209 349426190 /nfs/dbraw/zinc/42/61/90/349426190.db2.gz UTKHNMVGCFKUNZ-NXSPZCGBSA-N 0 3 291.439 2.729 20 30 CFEDHN CC1(c2ccccc2)CC(NC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594455739 349426259 /nfs/dbraw/zinc/42/62/59/349426259.db2.gz CIFARNFKXJBCCB-PQUAAJSLSA-N 0 3 299.418 2.634 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1CC1CCCC1 ZINC000594455672 349426475 /nfs/dbraw/zinc/42/64/75/349426475.db2.gz CVEXZMQUQLFJAI-HZPDHXFCSA-N 0 3 291.439 2.969 20 30 CFEDHN C[C@@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1[C@H](C)CC[C@H]1C ZINC000594406848 349415499 /nfs/dbraw/zinc/41/54/99/349415499.db2.gz NQSUQINFDJSUQJ-MCIONIFRSA-N 0 3 297.402 2.662 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNC(=O)CCCCC#N)c1ccco1 ZINC000594421136 349416210 /nfs/dbraw/zinc/41/62/10/349416210.db2.gz PSAOLPXFOYMMOL-KGLIPLIRSA-N 0 3 291.395 2.909 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccccc1Cl ZINC000594425179 349417192 /nfs/dbraw/zinc/41/71/92/349417192.db2.gz KJABBRDKGVYCEH-NSHDSACASA-N 0 3 265.744 2.690 20 30 CFEDHN CC1CCC(N(C(=O)[C@H](N)CCCCC#N)C2CC2)CC1 ZINC000594427438 349418493 /nfs/dbraw/zinc/41/84/93/349418493.db2.gz IGBUVCSWPBWYPI-ZBCRRDGASA-N 0 3 291.439 2.967 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N(C1CC1)C1CCCCC1 ZINC000594428561 349418683 /nfs/dbraw/zinc/41/86/83/349418683.db2.gz MWHKOUVANIXJHI-HNNXBMFYSA-N 0 3 277.412 2.721 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594427942 349418714 /nfs/dbraw/zinc/41/87/14/349418714.db2.gz YFPNNOGVLHKXRH-CQSZACIVSA-N 0 3 265.401 2.579 20 30 CFEDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594428409 349418794 /nfs/dbraw/zinc/41/87/94/349418794.db2.gz NIWJGOPCKPGGFV-UKRRQHHQSA-N 0 3 273.380 2.584 20 30 CFEDHN C[C@H](c1cccs1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594428450 349418799 /nfs/dbraw/zinc/41/87/99/349418799.db2.gz METLRVGFPHRFJB-NEPJUHHUSA-N 0 3 279.409 2.679 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000594428876 349419343 /nfs/dbraw/zinc/41/93/43/349419343.db2.gz OCNPEMCTKHRTDU-OAHLLOKOSA-N 0 3 285.391 2.593 20 30 CFEDHN CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1F ZINC000594429090 349419374 /nfs/dbraw/zinc/41/93/74/349419374.db2.gz QQVDFGDAMAOIQF-CYBMUJFWSA-N 0 3 293.342 2.574 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594432824 349420660 /nfs/dbraw/zinc/42/06/60/349420660.db2.gz BZVYWGNYBQOCJD-ZNMIVQPWSA-N 0 3 279.428 2.729 20 30 CFEDHN C[C@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCCC#N ZINC000594433146 349420979 /nfs/dbraw/zinc/42/09/79/349420979.db2.gz CIANHVPJAFNYQB-XJKSGUPXSA-N 0 3 285.391 2.544 20 30 CFEDHN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](N)CCCCC#N ZINC000594431183 349421016 /nfs/dbraw/zinc/42/10/16/349421016.db2.gz JJGLVFNUVVGUFT-JKSUJKDBSA-N 0 3 285.391 2.510 20 30 CFEDHN CC[C@H](C)[C@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594434658 349421457 /nfs/dbraw/zinc/42/14/57/349421457.db2.gz QUUREHWDBXOTFC-YDHLFZDLSA-N 0 3 279.428 2.823 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000594434952 349421757 /nfs/dbraw/zinc/42/17/57/349421757.db2.gz XFVLAVHGKPRNKR-HNNXBMFYSA-N 0 3 291.439 2.971 20 30 CFEDHN CCS[C@H]1CCCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594434062 349421774 /nfs/dbraw/zinc/42/17/74/349421774.db2.gz JXUGVSJQAYDWGV-KBPBESRZSA-N 0 3 297.468 2.532 20 30 CFEDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597291122 350079829 /nfs/dbraw/zinc/07/98/29/350079829.db2.gz BMFHOKXWEBFJQR-CABCVRRESA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)N1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597126139 350033328 /nfs/dbraw/zinc/03/33/28/350033328.db2.gz NTNYUVVSMVLFAE-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(=O)Nc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597173592 350043619 /nfs/dbraw/zinc/04/36/19/350043619.db2.gz KQWJVPNOLSOWIP-CQSZACIVSA-N 0 3 271.364 2.771 20 30 CFEDHN Cc1nn(-c2ccncc2)cc1CN1CCC[C@H](CC#N)C1 ZINC000597177472 350045162 /nfs/dbraw/zinc/04/51/62/350045162.db2.gz MVAZQVNSSJPAQE-OAHLLOKOSA-N 0 3 295.390 2.701 20 30 CFEDHN Cc1nn(-c2ccncc2)cc1CN1CCC[C@@H](CC#N)C1 ZINC000597177471 350045250 /nfs/dbraw/zinc/04/52/50/350045250.db2.gz MVAZQVNSSJPAQE-HNNXBMFYSA-N 0 3 295.390 2.701 20 30 CFEDHN COCCC1CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000597183981 350046882 /nfs/dbraw/zinc/04/68/82/350046882.db2.gz PIAYFFSQZIYJEH-UHFFFAOYSA-N 0 3 288.391 2.837 20 30 CFEDHN C=CCCSCCNCc1ccc2c(n1)CCC2 ZINC000597185175 350047351 /nfs/dbraw/zinc/04/73/51/350047351.db2.gz SSHZVNIUDIOIQS-UHFFFAOYSA-N 0 3 262.422 2.969 20 30 CFEDHN C[C@H](CC#N)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000597319481 350083105 /nfs/dbraw/zinc/08/31/05/350083105.db2.gz POBDPXMYPJQPEI-CVEARBPZSA-N 0 3 299.418 2.659 20 30 CFEDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1cc(C#N)cs1 ZINC000597240884 350069767 /nfs/dbraw/zinc/06/97/67/350069767.db2.gz QBGBMUXZBNHNSZ-ZFWWWQNUSA-N 0 3 292.404 2.831 20 30 CFEDHN C=CCCC(C)(C)NCc1ccc(C(=O)OC)o1 ZINC000597242883 350070600 /nfs/dbraw/zinc/07/06/00/350070600.db2.gz IKPIIQQBDYQXIZ-UHFFFAOYSA-N 0 3 251.326 2.901 20 30 CFEDHN CCN(C(=O)[C@@H](C)CC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597505017 350106057 /nfs/dbraw/zinc/10/60/57/350106057.db2.gz KISKIQKNOPOYJW-DOTOQJQBSA-N 0 3 299.418 2.659 20 30 CFEDHN CCN(C(=O)[C@@H](C)CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597505019 350106319 /nfs/dbraw/zinc/10/63/19/350106319.db2.gz KISKIQKNOPOYJW-RDJZCZTQSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)CC2(C#N)CCCCC2)CN1C1CC1 ZINC000597363326 350089716 /nfs/dbraw/zinc/08/97/16/350089716.db2.gz BHPDNUSANITVNT-KBPBESRZSA-N 0 3 289.423 2.592 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000090883972 180053123 /nfs/dbraw/zinc/05/31/23/180053123.db2.gz UXSDLZDTTGQUQP-ORAYPTAESA-N 0 3 281.421 2.667 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 ZINC000597758641 350132799 /nfs/dbraw/zinc/13/27/99/350132799.db2.gz XVJKDZLBOPZQFT-OAHLLOKOSA-N 0 3 291.439 2.792 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCC1CSC1 ZINC000597790534 350136165 /nfs/dbraw/zinc/13/61/65/350136165.db2.gz ZGUNTQJIFQQKMS-OAHLLOKOSA-N 0 3 288.416 2.628 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597859175 350144580 /nfs/dbraw/zinc/14/45/80/350144580.db2.gz AMSHODGKEIRFHR-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000597934323 350159541 /nfs/dbraw/zinc/15/95/41/350159541.db2.gz IMWHDIRCRKFDRZ-DZGCQCFKSA-N 0 3 286.375 2.742 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000598039502 350182028 /nfs/dbraw/zinc/18/20/28/350182028.db2.gz LADDNUIGVRKMFU-AAEUAGOBSA-N 0 3 258.321 2.883 20 30 CFEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598215532 350216582 /nfs/dbraw/zinc/21/65/82/350216582.db2.gz MGLONGBHHDYEBG-UKRRQHHQSA-N 0 3 292.329 2.920 20 30 CFEDHN Cc1cc(Br)c(CNC(=O)C(C)C#N)s1 ZINC000598218770 350218623 /nfs/dbraw/zinc/21/86/23/350218623.db2.gz CSKYQTNBWCUHRU-ZCFIWIBFSA-N 0 3 287.182 2.595 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(CC)CC)CC1 ZINC000132194476 539772569 /nfs/dbraw/zinc/77/25/69/539772569.db2.gz NOUDSTDRGOQKMK-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CCN(C(=O)c1cccc(CN2CCCC2)c1)[C@@H](C)C#N ZINC000598355340 350245800 /nfs/dbraw/zinc/24/58/00/350245800.db2.gz BHRPDZGCMWBVFF-AWEZNQCLSA-N 0 3 285.391 2.657 20 30 CFEDHN CC(C)[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598381887 350253870 /nfs/dbraw/zinc/25/38/70/350253870.db2.gz RFIREJOBVANSAH-IAGOWNOFSA-N 0 3 295.386 2.791 20 30 CFEDHN COCC#CCN1CCC(c2ccccc2C)CC1 ZINC000677818078 539791077 /nfs/dbraw/zinc/79/10/77/539791077.db2.gz TXBOQOBNGXATPG-UHFFFAOYSA-N 0 3 257.377 2.824 20 30 CFEDHN C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000598415331 350263244 /nfs/dbraw/zinc/26/32/44/350263244.db2.gz OHBBGMQYTSVOTJ-DOTOQJQBSA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000598583819 350285150 /nfs/dbraw/zinc/28/51/50/350285150.db2.gz DRWMTBAHHKMDHU-MNOVXSKESA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1cccc(CC2CN(C[C@@H](O)CC(C)(C)C#N)C2)c1 ZINC000598700835 350312523 /nfs/dbraw/zinc/31/25/23/350312523.db2.gz GHKBMPHPEQYFLP-KRWDZBQOSA-N 0 3 286.419 2.770 20 30 CFEDHN CCCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598700131 350312748 /nfs/dbraw/zinc/31/27/48/350312748.db2.gz LDSMIPDQIVFKHT-OAHLLOKOSA-N 0 3 290.407 2.866 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Cl)cc1 ZINC000598704427 350313436 /nfs/dbraw/zinc/31/34/36/350313436.db2.gz OXTSGDWPYRJMBZ-ZDUSSCGKSA-N 0 3 266.772 2.730 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCCc2occc21 ZINC000598713737 350316007 /nfs/dbraw/zinc/31/60/07/350316007.db2.gz CRGWJJZOSNYTBS-AAEUAGOBSA-N 0 3 262.353 2.547 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCOc2ccc(F)cc21 ZINC000598722020 350318831 /nfs/dbraw/zinc/31/88/31/350318831.db2.gz YJRYOPRZXRFISB-TZMCWYRMSA-N 0 3 292.354 2.540 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1COc2ccc(Cl)cc21 ZINC000598726134 350320181 /nfs/dbraw/zinc/32/01/81/350320181.db2.gz RMXOUICGPYXQGG-WCQYABFASA-N 0 3 294.782 2.664 20 30 CFEDHN CC(C)CCOC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585852 350286344 /nfs/dbraw/zinc/28/63/44/350286344.db2.gz LBCNBPATPAYDHX-OAHLLOKOSA-N 0 3 296.455 2.814 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](c2ccccc2F)C1 ZINC000598590391 350287109 /nfs/dbraw/zinc/28/71/09/350287109.db2.gz XQZYLZCHKODZLT-KBPBESRZSA-N 0 3 290.382 2.916 20 30 CFEDHN C[C@H]1c2ccccc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598590475 350287202 /nfs/dbraw/zinc/28/72/02/350287202.db2.gz ZGUDXXWNDXRMOH-ZFWWWQNUSA-N 0 3 272.392 2.906 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](c2cccc(F)c2)C1 ZINC000598591283 350288343 /nfs/dbraw/zinc/28/83/43/350288343.db2.gz YGPRWUGDYURBGD-GOEBONIOSA-N 0 3 290.382 2.916 20 30 CFEDHN CCc1cnccc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598603903 350292182 /nfs/dbraw/zinc/29/21/82/350292182.db2.gz LCVNLNZBOHOMLZ-TZMCWYRMSA-N 0 3 275.396 2.595 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccncc2)CC1 ZINC000598611490 350293897 /nfs/dbraw/zinc/29/38/97/350293897.db2.gz RWBYMVANRVZDDH-INIZCTEOSA-N 0 3 287.407 2.562 20 30 CFEDHN CN(C)c1c(F)c(F)ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000598982806 350354218 /nfs/dbraw/zinc/35/42/18/350354218.db2.gz OVMPEALZVUXKCR-CMPLNLGQSA-N 0 3 279.334 2.813 20 30 CFEDHN Cc1cc(CN[C@H](CO)CCC(C)C)ccc1C#N ZINC000598990252 350355444 /nfs/dbraw/zinc/35/54/44/350355444.db2.gz AWHWMXPMTHIUOD-INIZCTEOSA-N 0 3 260.381 2.753 20 30 CFEDHN Cc1ccc(CN2CC[C@H](n3cccn3)C2)cc1C#N ZINC000599423666 350433676 /nfs/dbraw/zinc/43/36/76/350433676.db2.gz FYMPEDREUBMIMX-INIZCTEOSA-N 0 3 266.348 2.510 20 30 CFEDHN COC[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599435519 350437772 /nfs/dbraw/zinc/43/77/72/350437772.db2.gz XARHMVCZUZJROR-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599298326 350409354 /nfs/dbraw/zinc/40/93/54/350409354.db2.gz VNVDNKCHPQPSSY-IRXDYDNUSA-N 0 3 272.392 2.992 20 30 CFEDHN Cc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1C#N ZINC000599335204 350416518 /nfs/dbraw/zinc/41/65/18/350416518.db2.gz PHLORJJOFVQICP-LJQANCHMSA-N 0 3 292.382 2.790 20 30 CFEDHN Cc1ccc(CN2CCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000599337252 350417682 /nfs/dbraw/zinc/41/76/82/350417682.db2.gz YJNLGBLFTBOUMY-CJNGLKHVSA-N 0 3 258.365 2.602 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599586576 350459952 /nfs/dbraw/zinc/45/99/52/350459952.db2.gz ARHCOPMFQCESSK-SOUVJXGZSA-N 0 3 297.439 2.613 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585432 350460363 /nfs/dbraw/zinc/46/03/63/350460363.db2.gz YUPKLUGSFYAOGB-TUVASFSCSA-N 0 3 292.423 2.978 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589521 350460893 /nfs/dbraw/zinc/46/08/93/350460893.db2.gz MOVMHFDGPMSJDJ-HZSPNIEDSA-N 0 3 280.412 2.978 20 30 CFEDHN C[C@@H]1CN(CCCCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599590194 350461074 /nfs/dbraw/zinc/46/10/74/350461074.db2.gz VSTFRUFQIVFPRI-ZIAGYGMSSA-N 0 3 280.412 2.980 20 30 CFEDHN Cc1ccc(CN2CCC(C3(O)CC3)CC2)cc1C#N ZINC000599451137 350440371 /nfs/dbraw/zinc/44/03/71/350440371.db2.gz BMZOGLUZQSRIQC-UHFFFAOYSA-N 0 3 270.376 2.604 20 30 CFEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599454843 350441374 /nfs/dbraw/zinc/44/13/74/350441374.db2.gz WUPLSZRBQBTSKZ-IUODEOHRSA-N 0 3 276.355 2.921 20 30 CFEDHN Cc1ccc(CN(C)[C@H](CO)Cc2ccccc2)cc1C#N ZINC000599469967 350442210 /nfs/dbraw/zinc/44/22/10/350442210.db2.gz NMDPGSFLGFUAAM-IBGZPJMESA-N 0 3 294.398 2.902 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@H]2CCC[C@@H]21 ZINC000599651492 350472823 /nfs/dbraw/zinc/47/28/23/350472823.db2.gz CHRPKRZFWLMKQO-MCIONIFRSA-N 0 3 278.396 2.590 20 30 CFEDHN N#CCCCCN1CCc2c(CC#N)cccc2C1 ZINC000599677599 350479685 /nfs/dbraw/zinc/47/96/85/350479685.db2.gz ADFWRBLSYUAHKN-UHFFFAOYSA-N 0 3 253.349 2.805 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600186077 350534552 /nfs/dbraw/zinc/53/45/52/350534552.db2.gz OJPJSKAKZRJVOE-JQWIXIFHSA-N 0 3 278.302 2.830 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC000600314126 350549051 /nfs/dbraw/zinc/54/90/51/350549051.db2.gz STUGLAGOEOPHLW-JQWIXIFHSA-N 0 3 266.291 2.529 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2ccc(Cl)cc2F)CC1 ZINC000600734805 350603769 /nfs/dbraw/zinc/60/37/69/350603769.db2.gz KUOHQCLIPYOSQE-LBPRGKRZSA-N 0 3 282.746 2.623 20 30 CFEDHN C=CCSCCNCc1cccc(NC(C)=O)c1 ZINC000601105842 350670081 /nfs/dbraw/zinc/67/00/81/350670081.db2.gz OIFYXFOHWKLEJP-UHFFFAOYSA-N 0 3 264.394 2.654 20 30 CFEDHN CN(c1ncc(C#N)c2ccsc21)[C@H]1CCN(C2CC2)C1 ZINC000601115759 350672190 /nfs/dbraw/zinc/67/21/90/350672190.db2.gz KDVYUEKJFXUIAV-ZDUSSCGKSA-N 0 3 298.415 2.841 20 30 CFEDHN COc1ccc2c(c1)CC[C@H]2NCC1(CC#N)CC1 ZINC000601280948 350716336 /nfs/dbraw/zinc/71/63/36/350716336.db2.gz UZVKVLVLZALXCY-OAHLLOKOSA-N 0 3 256.349 2.966 20 30 CFEDHN Cc1ccc(CN2CC[C@H](Nc3cnccc3C#N)C2)cc1 ZINC000601250046 350708962 /nfs/dbraw/zinc/70/89/62/350708962.db2.gz JMEXZOCTBWPRDK-KRWDZBQOSA-N 0 3 292.386 2.948 20 30 CFEDHN Cc1cccc2c1ncc(C)c2N1CCN(CCC#N)CC1 ZINC000601261726 350711681 /nfs/dbraw/zinc/71/16/81/350711681.db2.gz LOLNCPFSBZDZRU-UHFFFAOYSA-N 0 3 294.402 2.887 20 30 CFEDHN C[C@H]1C[C@H](Nc2ncc(C#N)c3ccsc32)CN1C1CC1 ZINC000601127869 350675885 /nfs/dbraw/zinc/67/58/85/350675885.db2.gz TUDQWUVCLSLOAP-JQWIXIFHSA-N 0 3 298.415 2.627 20 30 CFEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)o1 ZINC000601156647 350684555 /nfs/dbraw/zinc/68/45/55/350684555.db2.gz UWDHPBLBDBJRSY-GJZGRUSLSA-N 0 3 260.337 2.589 20 30 CFEDHN CC[C@H]1CN(C)CCCN1c1nc(C#N)c(Cl)s1 ZINC000601188073 350692161 /nfs/dbraw/zinc/69/21/61/350692161.db2.gz BDGTYSUESZPLMR-VIFPVBQESA-N 0 3 284.816 2.589 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000601695567 350763142 /nfs/dbraw/zinc/76/31/42/350763142.db2.gz HZWFMERVIDZAGQ-VIFPVBQESA-N 0 3 282.265 2.750 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1CC#N ZINC000601542065 350738215 /nfs/dbraw/zinc/73/82/15/350738215.db2.gz PDBUJBSHKADLQV-MRXNPFEDSA-N 0 3 299.418 2.603 20 30 CFEDHN Cc1cccc(CC2CN(C[C@H](O)CC3(C#N)CC3)C2)c1 ZINC000601955876 350818816 /nfs/dbraw/zinc/81/88/16/350818816.db2.gz DQZBISLKZFAWKO-QGZVFWFLSA-N 0 3 284.403 2.524 20 30 CFEDHN N#CCC1CN(CC2(O)CCC(c3ccccc3)CC2)C1 ZINC000601958802 350818991 /nfs/dbraw/zinc/81/89/91/350818991.db2.gz KEPZNAQEWXXFSS-UHFFFAOYSA-N 0 3 284.403 2.921 20 30 CFEDHN Cc1ccc2oc(CNC[C@@H](O)CC3(C#N)CC3)cc2c1 ZINC000601957242 350819048 /nfs/dbraw/zinc/81/90/48/350819048.db2.gz FTAWAAHBBXLKMB-AWEZNQCLSA-N 0 3 284.359 2.886 20 30 CFEDHN C[C@H](C#N)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601726092 350768878 /nfs/dbraw/zinc/76/88/78/350768878.db2.gz FQCIISDYNAAZOX-NVXWUHKLSA-N 0 3 299.418 2.707 20 30 CFEDHN CN(C)[C@H](CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000601818282 350784703 /nfs/dbraw/zinc/78/47/03/350784703.db2.gz LFLHSXFPDNULGE-BRWVUGGUSA-N 0 3 299.418 2.830 20 30 CFEDHN N#CCC[C@H](C#N)CNCC1([C@H]2CCCCO2)CCC1 ZINC000601938949 350809980 /nfs/dbraw/zinc/80/99/80/350809980.db2.gz HSECGXGSOKWURQ-HUUCEWRRSA-N 0 3 275.396 2.759 20 30 CFEDHN C[C@H]1C[C@@H](CCNCc2cccc(F)c2C#N)CCO1 ZINC000602014805 350831593 /nfs/dbraw/zinc/83/15/93/350831593.db2.gz GOVNRCLGGJYFIU-STQMWFEESA-N 0 3 276.355 2.992 20 30 CFEDHN CO[C@H]1CCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602014608 350831620 /nfs/dbraw/zinc/83/16/20/350831620.db2.gz FSFZYMIBROLDIX-DOMZBBRYSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@]1(CNCc2cccc(F)c2C#N)CCO[C@H]1C1CC1 ZINC000602017825 350832915 /nfs/dbraw/zinc/83/29/15/350832915.db2.gz RGOXAOGWIIRJIH-DLBZAZTESA-N 0 3 288.366 2.992 20 30 CFEDHN C=CCC1(NCc2cccc(F)c2C#N)CCOCC1 ZINC000602027281 350834777 /nfs/dbraw/zinc/83/47/77/350834777.db2.gz GFLDRDIOZUECIP-UHFFFAOYSA-N 0 3 274.339 2.912 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNCc1cccc(F)c1C#N ZINC000602029779 350836032 /nfs/dbraw/zinc/83/60/32/350836032.db2.gz XNXSRJCSZRCTSF-ZDUSSCGKSA-N 0 3 275.371 2.660 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCN1C1CCCC1 ZINC000602055267 350836629 /nfs/dbraw/zinc/83/66/29/350836629.db2.gz WKJDJXDINGHHLN-QGZVFWFLSA-N 0 3 297.402 2.534 20 30 CFEDHN N#Cc1cccc(CN(C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000602478211 350898546 /nfs/dbraw/zinc/89/85/46/350898546.db2.gz WMHGTAJWKWYKGH-KRWDZBQOSA-N 0 3 285.391 2.877 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000602479326 350899562 /nfs/dbraw/zinc/89/95/62/350899562.db2.gz ILJCCYUUMKTTLT-CMPLNLGQSA-N 0 3 278.318 2.561 20 30 CFEDHN CC[C@@H]1CN(C[C@H](C)CCC#N)CCN1CC(F)F ZINC000602479119 350899838 /nfs/dbraw/zinc/89/98/38/350899838.db2.gz FNICSJFRHADQLA-CHWSQXEVSA-N 0 3 273.371 2.588 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C[S@](C)=O)c1ccccc1 ZINC000602596547 350939562 /nfs/dbraw/zinc/93/95/62/350939562.db2.gz PWFWAURRBJDRJE-MUKKUYKPSA-N 0 3 278.421 2.636 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccccc1 ZINC000602499689 350906095 /nfs/dbraw/zinc/90/60/95/350906095.db2.gz SNGTVYNIHWUZRB-CQSZACIVSA-N 0 3 258.365 2.875 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCc3ccccc3C2)n1 ZINC000602504535 350908370 /nfs/dbraw/zinc/90/83/70/350908370.db2.gz SQXNJTZLBDSOTE-HNNXBMFYSA-N 0 3 263.344 2.600 20 30 CFEDHN N#Cc1cccc(CNCCCc2ccccc2)n1 ZINC000602506437 350908842 /nfs/dbraw/zinc/90/88/42/350908842.db2.gz VPPVXHGUCWVJSY-UHFFFAOYSA-N 0 3 251.333 2.676 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccs1 ZINC000602512055 350910350 /nfs/dbraw/zinc/91/03/50/350910350.db2.gz UXOKVMRRTZLSDX-LBPRGKRZSA-N 0 3 264.394 2.937 20 30 CFEDHN Cc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602512553 350910964 /nfs/dbraw/zinc/91/09/64/350910964.db2.gz CEXZOJHSOHEVOR-AWEZNQCLSA-N 0 3 273.380 2.579 20 30 CFEDHN CC1(C)CCC[C@@H]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000602523887 350914069 /nfs/dbraw/zinc/91/40/69/350914069.db2.gz HTPRPCFBYZWTQJ-KGLIPLIRSA-N 0 3 279.428 2.730 20 30 CFEDHN COc1cccc(C[C@H](C)NCc2cccc(C#N)n2)c1 ZINC000602545669 350919341 /nfs/dbraw/zinc/91/93/41/350919341.db2.gz IFDZNFSRUVPGAX-ZDUSSCGKSA-N 0 3 281.359 2.683 20 30 CFEDHN CCC(F)(F)C(C)(C)CNC(=O)[C@@H](N)CCCCC#N ZINC000602547362 350920143 /nfs/dbraw/zinc/92/01/43/350920143.db2.gz SVPRSGYGAHWXFH-NSHDSACASA-N 0 3 289.370 2.585 20 30 CFEDHN N#CC1CCC(NCc2cccnc2OCC(F)F)CC1 ZINC000602579201 350932153 /nfs/dbraw/zinc/93/21/53/350932153.db2.gz IGZDGKGINXDJNY-UHFFFAOYSA-N 0 3 295.333 2.897 20 30 CFEDHN COCC[C@H](NC[C@H](C)CCC#N)c1ccco1 ZINC000602601794 350941467 /nfs/dbraw/zinc/94/14/67/350941467.db2.gz BDPAGXRQYLMWJF-OLZOCXBDSA-N 0 3 250.342 2.887 20 30 CFEDHN C[C@H](CCC#N)CNCC(=O)Nc1ccc(F)c(F)c1F ZINC000602585265 350935479 /nfs/dbraw/zinc/93/54/79/350935479.db2.gz FSWOOQWDUMNNNF-SECBINFHSA-N 0 3 299.296 2.572 20 30 CFEDHN Cc1cccn2cc(CNC[C@@H](C)CCC#N)nc12 ZINC000602593996 350938811 /nfs/dbraw/zinc/93/88/11/350938811.db2.gz NUUZEBMVTJKKBC-LBPRGKRZSA-N 0 3 256.353 2.672 20 30 CFEDHN C[C@@H](CCC#N)CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000602469872 350893782 /nfs/dbraw/zinc/89/37/82/350893782.db2.gz AISZBOXXDCHLKI-LBPRGKRZSA-N 0 3 268.364 2.902 20 30 CFEDHN COC(=O)C1(N(C)C[C@@H](C)CCC#N)CCCCC1 ZINC000602473723 350896070 /nfs/dbraw/zinc/89/60/70/350896070.db2.gz OUZORYVJFGBWLI-ZDUSSCGKSA-N 0 3 266.385 2.734 20 30 CFEDHN CN(CCCN(C)Cc1cccc(C#N)n1)Cc1ccco1 ZINC000602656399 350963928 /nfs/dbraw/zinc/96/39/28/350963928.db2.gz TWFFEZFNYRXIBS-UHFFFAOYSA-N 0 3 298.390 2.500 20 30 CFEDHN CCCn1ccnc1CCCN(C)Cc1cccc(C#N)n1 ZINC000602662977 350966388 /nfs/dbraw/zinc/96/63/88/350966388.db2.gz PVLCHLAKSMLPTL-UHFFFAOYSA-N 0 3 297.406 2.624 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NCc1cccc(C#N)n1 ZINC000602672639 350970623 /nfs/dbraw/zinc/97/06/23/350970623.db2.gz DHWZSAADQPHDJB-KRWDZBQOSA-N 0 3 286.423 2.553 20 30 CFEDHN Cc1cc(CN[C@H](C)CC2(C#N)CCOCC2)cc(C)n1 ZINC000602695635 350983799 /nfs/dbraw/zinc/98/37/99/350983799.db2.gz BLUQBVPJKDRTJJ-OAHLLOKOSA-N 0 3 287.407 2.887 20 30 CFEDHN Cn1c(CN[C@@H]2CC[C@H](C#N)C2)cc2ccccc21 ZINC000602696347 350983964 /nfs/dbraw/zinc/98/39/64/350983964.db2.gz YWTAREMZBKETTB-GXTWGEPZSA-N 0 3 253.349 2.960 20 30 CFEDHN COc1cc(C)c([C@H](C)N2CC[C@](O)(CC#N)C2)cc1C ZINC000602696900 350984954 /nfs/dbraw/zinc/98/49/54/350984954.db2.gz LRHGFTMFYAXXHK-WMLDXEAASA-N 0 3 288.391 2.724 20 30 CFEDHN CCCN(Cc1cccc(F)c1C#N)[C@@H]1CCN(C)C1 ZINC000602697760 350985033 /nfs/dbraw/zinc/98/50/33/350985033.db2.gz AEADYQNABYRDMX-CQSZACIVSA-N 0 3 275.371 2.613 20 30 CFEDHN C[C@H](O)[C@H](NC1CCC(C#N)CC1)c1ccccc1F ZINC000602697804 350985077 /nfs/dbraw/zinc/98/50/77/350985077.db2.gz IODAMRBOXUYBGD-ITDKRANNSA-N 0 3 276.355 2.920 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](C3CCCC3)C2)n1 ZINC000602700825 350987023 /nfs/dbraw/zinc/98/70/23/350987023.db2.gz XKJIUOYQUKREDX-CQSZACIVSA-N 0 3 255.365 2.965 20 30 CFEDHN Cc1cc(CNCCc2ccc(C#N)cc2)sn1 ZINC000602706627 350990565 /nfs/dbraw/zinc/99/05/65/350990565.db2.gz RWZYFWIYAAAAHE-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C[C@H]1c2ccccc2C[C@H]1NCc1cccc(C#N)n1 ZINC000602706603 350991097 /nfs/dbraw/zinc/99/10/97/350991097.db2.gz GIIFWIYQHAYSPR-YVEFUNNKSA-N 0 3 263.344 2.771 20 30 CFEDHN CC[C@@H](C(=O)OC(C)(C)C)N(C)C[C@H](C)CCC#N ZINC000602708052 350991577 /nfs/dbraw/zinc/99/15/77/350991577.db2.gz WMVMRACTFCSWTF-OLZOCXBDSA-N 0 3 268.401 2.978 20 30 CFEDHN N#Cc1cccc(CN[C@H]2C[C@H](Oc3ccccc3)C2)n1 ZINC000602709719 350992968 /nfs/dbraw/zinc/99/29/68/350992968.db2.gz IKFSYUXTGBNQAB-JCNLHEQBSA-N 0 3 279.343 2.653 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000602741176 351009995 /nfs/dbraw/zinc/00/99/95/351009995.db2.gz DUTOEKMFKNFNBR-HBNTYKKESA-N 0 3 276.302 2.626 20 30 CFEDHN COc1ccc2c(c1)nc(CNC[C@H](C)CCC#N)n2C ZINC000602620037 350949198 /nfs/dbraw/zinc/94/91/98/350949198.db2.gz SDVMDABGXIJYBS-GFCCVEGCSA-N 0 3 286.379 2.611 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cscc1Cl ZINC000602626037 350951751 /nfs/dbraw/zinc/95/17/51/350951751.db2.gz WXSUUGQHRPVNPT-VIFPVBQESA-N 0 3 271.773 2.751 20 30 CFEDHN CO[C@]1(C(F)(F)F)CCCN(C[C@@H](C)CCC#N)C1 ZINC000602629620 350952722 /nfs/dbraw/zinc/95/27/22/350952722.db2.gz PHLOVBKLIHWRBB-NWDGAFQWSA-N 0 3 278.318 2.970 20 30 CFEDHN CC[C@H](C)c1nnc([C@H](C)[NH2+]C[C@@H](C)CCC#N)[n-]1 ZINC000602631668 350953284 /nfs/dbraw/zinc/95/32/84/350953284.db2.gz QIUJFEFJYFWBBZ-SRVKXCTJSA-N 0 3 263.389 2.909 20 30 CFEDHN CC[C@H](C)c1nnc([C@H](C)NC[C@@H](C)CCC#N)[nH]1 ZINC000602631668 350953286 /nfs/dbraw/zinc/95/32/86/350953286.db2.gz QIUJFEFJYFWBBZ-SRVKXCTJSA-N 0 3 263.389 2.909 20 30 CFEDHN C[C@H](CCC#N)CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000602633158 350954152 /nfs/dbraw/zinc/95/41/52/350954152.db2.gz LLTZZVCQGHTVSO-IJLUTSLNSA-N 0 3 278.318 2.561 20 30 CFEDHN CCN(C[C@@H]1CCc2ncnn21)[C@H](C)c1ccc(C#N)cc1 ZINC000602765560 351017392 /nfs/dbraw/zinc/01/73/92/351017392.db2.gz VJDPNHXVSMOAMU-CJNGLKHVSA-N 0 3 295.390 2.720 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCc2ncnn21 ZINC000602767784 351018128 /nfs/dbraw/zinc/01/81/28/351018128.db2.gz GFBYSVDGHLULRH-MRXNPFEDSA-N 0 3 295.390 2.548 20 30 CFEDHN N#CCC1(CN2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000602778958 351022319 /nfs/dbraw/zinc/02/23/19/351022319.db2.gz JWRKSAQVQGRXOU-MRXNPFEDSA-N 0 3 292.423 2.730 20 30 CFEDHN C[C@H](CCO)N(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602801096 351030811 /nfs/dbraw/zinc/03/08/11/351030811.db2.gz ZNTDNLCVTBBWAJ-OAHLLOKOSA-N 0 3 272.392 2.953 20 30 CFEDHN N#CCC1(CN2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000602808008 351034238 /nfs/dbraw/zinc/03/42/38/351034238.db2.gz YBIPKIFMJPLCHS-OAHLLOKOSA-N 0 3 274.339 2.973 20 30 CFEDHN N#CCC1(CN2CCC[C@@](CO)(Cc3ccccc3)C2)CC1 ZINC000602836094 351041369 /nfs/dbraw/zinc/04/13/69/351041369.db2.gz FKGCIBKXNZKVFB-LJQANCHMSA-N 0 3 298.430 2.997 20 30 CFEDHN C[C@H](CN(C)CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000602839878 351042360 /nfs/dbraw/zinc/04/23/60/351042360.db2.gz KJQMACNWOYAQKE-GFCCVEGCSA-N 0 3 266.385 2.590 20 30 CFEDHN CCN(C#N)CCN[C@H](CCCC#N)c1ccccc1 ZINC000602843004 351043328 /nfs/dbraw/zinc/04/33/28/351043328.db2.gz XKECOPRMPPPMFY-MRXNPFEDSA-N 0 3 270.380 2.814 20 30 CFEDHN C[C@@H]1CN(CC2CCC(F)(F)CC2)C[C@@H](C)N1CC#N ZINC000602847873 351043707 /nfs/dbraw/zinc/04/37/07/351043707.db2.gz DRWHZDKSJHNZHM-CHWSQXEVSA-N 0 3 285.382 2.730 20 30 CFEDHN C[C@@H]1CN([C@@H]2C=CCCCCC2)C[C@@H](C)N1CC#N ZINC000602851974 351045149 /nfs/dbraw/zinc/04/51/49/351045149.db2.gz ZJCLOJUBSNJUGK-BZUAXINKSA-N 0 3 261.413 2.793 20 30 CFEDHN C[C@H]1CN(CCC2=CCCCC2)C[C@H](C)N1CC#N ZINC000602851919 351045385 /nfs/dbraw/zinc/04/53/85/351045385.db2.gz YIMDCPZPKGVJCZ-GJZGRUSLSA-N 0 3 261.413 2.795 20 30 CFEDHN C[C@@H]1CN(CCCCc2ccccc2)C[C@H](C)N1CC#N ZINC000602852858 351046092 /nfs/dbraw/zinc/04/60/92/351046092.db2.gz DKOHRWQXFUWMAT-CALCHBBNSA-N 0 3 285.435 2.927 20 30 CFEDHN C[C@H]1CCN(CC2(CC#N)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000602857420 351046953 /nfs/dbraw/zinc/04/69/53/351046953.db2.gz WQCZNVWAWJRXOH-KBPBESRZSA-N 0 3 292.423 2.980 20 30 CFEDHN C[C@@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858516 351047265 /nfs/dbraw/zinc/04/72/65/351047265.db2.gz SMKJHZMXSWOFLT-HRCADAONSA-N 0 3 271.408 2.708 20 30 CFEDHN C[C@@H]1CN(CCCc2ccccc2)C[C@H](C)N1CC#N ZINC000602856122 351047455 /nfs/dbraw/zinc/04/74/55/351047455.db2.gz KBLUTKDHZWNERH-IYBDPMFKSA-N 0 3 271.408 2.537 20 30 CFEDHN CCc1ccccc1CCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854699 351047545 /nfs/dbraw/zinc/04/75/45/351047545.db2.gz QHFKMVVXYCZTBX-HOTGVXAUSA-N 0 3 285.435 2.710 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602883800 351057021 /nfs/dbraw/zinc/05/70/21/351057021.db2.gz MPAPRPKIQBLZIW-AAEUAGOBSA-N 0 3 278.356 2.553 20 30 CFEDHN N#CCC1(CN[C@@H](c2ccncc2)C2(CO)CCC2)CC1 ZINC000602903918 351061455 /nfs/dbraw/zinc/06/14/55/351061455.db2.gz SRCJZXBNBGXIQK-HNNXBMFYSA-N 0 3 285.391 2.569 20 30 CFEDHN N#Cc1ccc(C2CCN(CCOCC3CCC3)CC2)nc1 ZINC000602908047 351063408 /nfs/dbraw/zinc/06/34/08/351063408.db2.gz YFXDIQICDVIOMW-UHFFFAOYSA-N 0 3 299.418 2.949 20 30 CFEDHN COC(=O)c1oc(CNC2CCC(C#N)CC2)cc1C ZINC000602744508 351011885 /nfs/dbraw/zinc/01/18/85/351011885.db2.gz QUWBDZAEKLVNME-UHFFFAOYSA-N 0 3 276.336 2.547 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CC(C)(C)CO1 ZINC000602757893 351014788 /nfs/dbraw/zinc/01/47/88/351014788.db2.gz AZUKBOKZYYMBOO-OAHLLOKOSA-N 0 3 258.365 2.805 20 30 CFEDHN N#CCCCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602924870 351067789 /nfs/dbraw/zinc/06/77/89/351067789.db2.gz JLJYGVVJXSRAAR-LBPRGKRZSA-N 0 3 272.270 2.632 20 30 CFEDHN N#CCCCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602924869 351068213 /nfs/dbraw/zinc/06/82/13/351068213.db2.gz JLJYGVVJXSRAAR-GFCCVEGCSA-N 0 3 272.270 2.632 20 30 CFEDHN CCn1cc(CNCCCC#N)c(-c2ccccc2)n1 ZINC000603437606 351163926 /nfs/dbraw/zinc/16/39/26/351163926.db2.gz PQXMEQXXZYRELL-UHFFFAOYSA-N 0 3 268.364 2.963 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)o1 ZINC000604554185 351218309 /nfs/dbraw/zinc/21/83/09/351218309.db2.gz MJTBQUGLNAZNFX-OAHLLOKOSA-N 0 3 282.347 2.629 20 30 CFEDHN CCCNC(=O)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118392215 186772183 /nfs/dbraw/zinc/77/21/83/186772183.db2.gz JVMREUUBOGHIFO-AWEZNQCLSA-N 0 3 299.418 2.857 20 30 CFEDHN C#CC[C@@H](N[C@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC000271433012 191135135 /nfs/dbraw/zinc/13/51/35/191135135.db2.gz DIRDLSPQGIDLQB-NVXWUHKLSA-N 0 3 286.419 2.988 20 30 CFEDHN CC(C)[C@@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000507252935 535161192 /nfs/dbraw/zinc/16/11/92/535161192.db2.gz OUEYIBFGIXENGZ-GFCCVEGCSA-N 0 3 256.353 2.682 20 30 CFEDHN CCCN(CCn1ccccc1=O)Cc1ccc(C#N)cc1 ZINC000608788667 351470459 /nfs/dbraw/zinc/47/04/59/351470459.db2.gz KJUVCYARNHDMHP-UHFFFAOYSA-N 0 3 295.386 2.632 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCN(CC3CC3)C2)c(Cl)c1 ZINC000609631070 351513064 /nfs/dbraw/zinc/51/30/64/351513064.db2.gz FUWVTPXJTODDGB-LBPRGKRZSA-N 0 3 276.771 2.503 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCN(CC3CC3)C2)c(Cl)c1 ZINC000609631069 351513276 /nfs/dbraw/zinc/51/32/76/351513276.db2.gz FUWVTPXJTODDGB-GFCCVEGCSA-N 0 3 276.771 2.503 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609157391 351489781 /nfs/dbraw/zinc/48/97/81/351489781.db2.gz IBSSGYCFZORIOE-MRXNPFEDSA-N 0 3 266.348 2.592 20 30 CFEDHN CN(CCN1CCCCC1)Cc1cc(C#N)ccc1F ZINC000609925337 351528246 /nfs/dbraw/zinc/52/82/46/351528246.db2.gz NMBVOEKJUWLQJF-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN N#CCN1CCC(NCc2cc3cc(F)ccc3o2)CC1 ZINC000610270960 351545805 /nfs/dbraw/zinc/54/58/05/351545805.db2.gz ZPYQRKFCLLPZQA-UHFFFAOYSA-N 0 3 287.338 2.649 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCc2ccccc2C1 ZINC000609769889 351518341 /nfs/dbraw/zinc/51/83/41/351518341.db2.gz ZJDOESHYQQRUCL-CABCVRRESA-N 0 3 267.376 2.825 20 30 CFEDHN N#CCCCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000610432931 351567155 /nfs/dbraw/zinc/56/71/55/351567155.db2.gz IXRMAVZHIMWCSN-HNNXBMFYSA-N 0 3 254.337 2.518 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1nc(C)cc(C)c1C#N ZINC000610550211 351581312 /nfs/dbraw/zinc/58/13/12/351581312.db2.gz PTNAEZHBIMLJLW-CQSZACIVSA-N 0 3 272.396 2.856 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1CC[C@H](C(F)F)C1 ZINC000611180292 351648565 /nfs/dbraw/zinc/64/85/65/351648565.db2.gz WMPGRAJICZGNCL-JTQLQIEISA-N 0 3 299.346 2.535 20 30 CFEDHN CCOC(=O)CCN(Cc1ccc(C#N)s1)CC1CC1 ZINC000611265506 351660220 /nfs/dbraw/zinc/66/02/20/351660220.db2.gz ZTYRVURAUNIVMU-UHFFFAOYSA-N 0 3 292.404 2.785 20 30 CFEDHN N#Cc1ccc(CN2CCc3ccc(O)cc3CC2)s1 ZINC000611266618 351660907 /nfs/dbraw/zinc/66/09/07/351660907.db2.gz WKMUFTOUNNSBBO-UHFFFAOYSA-N 0 3 284.384 2.926 20 30 CFEDHN CCC(=O)N1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393276 351681469 /nfs/dbraw/zinc/68/14/69/351681469.db2.gz ALTQPBSAHQHIML-WBVHZDCISA-N 0 3 297.402 2.536 20 30 CFEDHN CC(C)N1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394881 351682369 /nfs/dbraw/zinc/68/23/69/351682369.db2.gz PDUQJECRVUPSJS-SJORKVTESA-N 0 3 297.402 2.535 20 30 CFEDHN CC(C)N1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000611394806 351682553 /nfs/dbraw/zinc/68/25/53/351682553.db2.gz FPCKQDFZSWMYPR-WBVHZDCISA-N 0 3 297.402 2.535 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+]C(C(C)C)C(C)C)c(C#N)c1C ZINC000611434068 351689193 /nfs/dbraw/zinc/68/91/93/351689193.db2.gz KOLDFZPDTSUPJB-UHFFFAOYSA-N 0 3 291.395 2.977 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000611462936 351693556 /nfs/dbraw/zinc/69/35/56/351693556.db2.gz MZGYVTYBGKXBTH-CYBMUJFWSA-N 0 3 280.412 2.837 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000611801303 351741831 /nfs/dbraw/zinc/74/18/31/351741831.db2.gz VQYLOWHRECIRBO-ZJNRKIDTSA-N 0 3 263.406 2.877 20 30 CFEDHN C[C@@H](N[C@H]1CCN(CC2CC2)C1)c1ccc(C#N)cc1F ZINC000611587846 351712142 /nfs/dbraw/zinc/71/21/42/351712142.db2.gz LDOPOMXSVBUZMT-DOMZBBRYSA-N 0 3 287.382 2.832 20 30 CFEDHN N#Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000612130807 351778837 /nfs/dbraw/zinc/77/88/37/351778837.db2.gz NNDHOVDRKNQFHH-QGZVFWFLSA-N 0 3 270.376 2.807 20 30 CFEDHN CCN(Cc1ccc(C#N)o1)[C@@H]1CCOC(C)(C)C1 ZINC000291675224 198059549 /nfs/dbraw/zinc/05/95/49/198059549.db2.gz WRJDLKRHTQNPER-GFCCVEGCSA-N 0 3 262.353 2.931 20 30 CFEDHN COc1ccc2c(c1)CC[C@@H](NCc1ccc(C#N)o1)C2 ZINC000612194045 351787154 /nfs/dbraw/zinc/78/71/54/351787154.db2.gz PSZVJHKWABIULL-CQSZACIVSA-N 0 3 282.343 2.807 20 30 CFEDHN CC[C@H]1CCCCN1CCNc1nccc(C)c1C#N ZINC000612079512 351770875 /nfs/dbraw/zinc/77/08/75/351770875.db2.gz HPTRHGOTIGXBII-AWEZNQCLSA-N 0 3 272.396 2.938 20 30 CFEDHN CCn1cncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000418138349 233788541 /nfs/dbraw/zinc/78/85/41/233788541.db2.gz CSYNWAGEKLPNCO-QGZVFWFLSA-N 0 3 280.375 2.942 20 30 CFEDHN CCC(CC)(CNCc1ccc(OC)c(C#N)c1)OC ZINC000291725460 198071673 /nfs/dbraw/zinc/07/16/73/198071673.db2.gz NENJJWVKJLTUID-UHFFFAOYSA-N 0 3 276.380 2.862 20 30 CFEDHN C[C@H]1C[C@@H](Nc2cccc(F)c2C#N)CN1C1CC1 ZINC000122267031 187023376 /nfs/dbraw/zinc/02/33/76/187023376.db2.gz IQYQUEPANWOVED-WDEREUQCSA-N 0 3 259.328 2.734 20 30 CFEDHN Cc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123156022 187074514 /nfs/dbraw/zinc/07/45/14/187074514.db2.gz NHGAMXIETJOMTE-UHFFFAOYSA-N 0 3 276.343 2.804 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1C[C@H](C)O ZINC000123833472 187111109 /nfs/dbraw/zinc/11/11/09/187111109.db2.gz CVRMRDSOGOHDML-XJKSGUPXSA-N 0 3 288.391 2.692 20 30 CFEDHN CC(C)(C)c1ccc(C#N)c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000613416978 351954774 /nfs/dbraw/zinc/95/47/74/351954774.db2.gz JKKLXRUHSFQREL-ZDUSSCGKSA-N 0 3 284.407 2.899 20 30 CFEDHN CCN1CCCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613422808 351956004 /nfs/dbraw/zinc/95/60/04/351956004.db2.gz CHHBXDOJXZWYRO-UHFFFAOYSA-N 0 3 286.423 2.783 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000614161514 352054662 /nfs/dbraw/zinc/05/46/62/352054662.db2.gz ZSLUDXMNONEWMC-UHFFFAOYSA-N 0 3 283.419 2.768 20 30 CFEDHN C[C@H](O)CCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168448 352056017 /nfs/dbraw/zinc/05/60/17/352056017.db2.gz BKKIAMIFROWQMY-ZDUSSCGKSA-N 0 3 260.381 2.690 20 30 CFEDHN N#CCCN1CCN(CCCCc2ccccc2)CC1 ZINC000614177005 352056756 /nfs/dbraw/zinc/05/67/56/352056756.db2.gz DZBPHLVWACNZMN-UHFFFAOYSA-N 0 3 271.408 2.541 20 30 CFEDHN Cc1ncc([C@@H](C)N2CCC(CC#N)CC2)c(C)n1 ZINC000614964064 352136910 /nfs/dbraw/zinc/13/69/10/352136910.db2.gz UZRIZLDFZNJVIW-GFCCVEGCSA-N 0 3 258.369 2.780 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)cc3C)C2)o1 ZINC000614396727 352088711 /nfs/dbraw/zinc/08/87/11/352088711.db2.gz JPSDMXCMYKNRAL-INIZCTEOSA-N 0 3 296.374 2.938 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614403444 352089887 /nfs/dbraw/zinc/08/98/87/352089887.db2.gz YJPTWRINYDDEKO-LSDHHAIUSA-N 0 3 271.408 2.781 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1O ZINC000614595431 352106335 /nfs/dbraw/zinc/10/63/35/352106335.db2.gz SJUBBEPIDFALDP-XJKSGUPXSA-N 0 3 272.392 2.690 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000614600684 352106677 /nfs/dbraw/zinc/10/66/77/352106677.db2.gz FAQKFQIWXXHZDT-ZFWWWQNUSA-N 0 3 294.358 2.983 20 30 CFEDHN C=CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000271471093 191157689 /nfs/dbraw/zinc/15/76/89/191157689.db2.gz RAZSYUUDXCUGDS-UHFFFAOYSA-N 0 3 292.335 2.633 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](n2cccn2)C1 ZINC000292026765 198137549 /nfs/dbraw/zinc/13/75/49/198137549.db2.gz YSNMDKWZYXBCJK-CZUORRHYSA-N 0 3 266.348 2.763 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1ccc2ccccc2n1)C1CC1 ZINC000616177129 352296548 /nfs/dbraw/zinc/29/65/48/352296548.db2.gz ZDHNPCSNLGGABD-RISCZKNCSA-N 0 3 279.343 2.757 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000312529470 539863714 /nfs/dbraw/zinc/86/37/14/539863714.db2.gz HBOQAASTJPVVHJ-CQSZACIVSA-N 0 3 271.364 2.726 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000678049184 539859401 /nfs/dbraw/zinc/85/94/01/539859401.db2.gz GQGLGSBOBMERQD-KRWDZBQOSA-N 0 3 275.392 2.775 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292078168 198154572 /nfs/dbraw/zinc/15/45/72/198154572.db2.gz CGACIVIEWSGXOI-VQIMIIECSA-N 0 3 298.430 2.901 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(C)C ZINC000617036438 352472889 /nfs/dbraw/zinc/47/28/89/352472889.db2.gz AVEWWBCOHPLYKS-KGLIPLIRSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000617039189 352474577 /nfs/dbraw/zinc/47/45/77/352474577.db2.gz DLVLPQHTLUUKPH-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617344201 352545126 /nfs/dbraw/zinc/54/51/26/352545126.db2.gz CSGQCASDLGUEPH-DOMZBBRYSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000617781843 352644709 /nfs/dbraw/zinc/64/47/09/352644709.db2.gz ULCFKNSZRIOLCY-HNNXBMFYSA-N 0 3 287.407 2.723 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)N(CC)CC)C1 ZINC000617784025 352645432 /nfs/dbraw/zinc/64/54/32/352645432.db2.gz LSXUFKBQXQERRE-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618355377 352757530 /nfs/dbraw/zinc/75/75/30/352757530.db2.gz VAXKUQZSXLPIOB-KRWDZBQOSA-N 0 3 286.419 2.728 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000618572058 352814940 /nfs/dbraw/zinc/81/49/40/352814940.db2.gz OHXAKCNZKLVJSG-IJEWVQPXSA-N 0 3 289.423 2.592 20 30 CFEDHN COc1ccccc1OCCN[C@H]1CCC[C@H](C#N)C1 ZINC000618561710 352808729 /nfs/dbraw/zinc/80/87/29/352808729.db2.gz USYTWCYOIIUEKS-KBPBESRZSA-N 0 3 274.364 2.746 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCOC3(CCCC3)C2)o1 ZINC000136715956 187885899 /nfs/dbraw/zinc/88/58/99/187885899.db2.gz DWQDIZUCMGHYCJ-GFCCVEGCSA-N 0 3 260.337 2.733 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618986320 352927838 /nfs/dbraw/zinc/92/78/38/352927838.db2.gz YEDGRQWWQJGSHZ-HUUCEWRRSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618986319 352928054 /nfs/dbraw/zinc/92/80/54/352928054.db2.gz YEDGRQWWQJGSHZ-GJZGRUSLSA-N 0 3 266.429 2.825 20 30 CFEDHN CCN(CC)C(=O)C[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618801946 352883176 /nfs/dbraw/zinc/88/31/76/352883176.db2.gz CREOKEQXEFNTGW-CXAGYDPISA-N 0 3 299.418 2.782 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)C[C@@H]1c1ccccc1 ZINC000618887211 352904632 /nfs/dbraw/zinc/90/46/32/352904632.db2.gz MBYVYIQZMZNDBQ-DOTOQJQBSA-N 0 3 271.408 2.915 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(Cc2ccccc2)CC1 ZINC000618887016 352904769 /nfs/dbraw/zinc/90/47/69/352904769.db2.gz FGDBEICDARJBDI-MRXNPFEDSA-N 0 3 271.408 2.744 20 30 CFEDHN CC1=C[C@H](C)CN(CCC(=O)Nc2sccc2C#N)C1 ZINC000619532304 353033624 /nfs/dbraw/zinc/03/36/24/353033624.db2.gz FLNGXRCRELTVPO-NSHDSACASA-N 0 3 289.404 2.846 20 30 CFEDHN C#CCCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000292259413 198220692 /nfs/dbraw/zinc/22/06/92/198220692.db2.gz SPHQIVBQESNTOT-AWEZNQCLSA-N 0 3 260.385 2.819 20 30 CFEDHN C[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000619748629 353063770 /nfs/dbraw/zinc/06/37/70/353063770.db2.gz PFQHULJMSDVFLD-FZMZJTMJSA-N 0 3 289.810 2.926 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C#N)cc1C ZINC000619781551 353066314 /nfs/dbraw/zinc/06/63/14/353066314.db2.gz KRBHVXNQICCHLP-CHWSQXEVSA-N 0 3 274.364 2.544 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1 ZINC000619900418 353074798 /nfs/dbraw/zinc/07/47/98/353074798.db2.gz CEGSTCULWOIYDR-NVXWUHKLSA-N 0 3 286.419 2.947 20 30 CFEDHN N#CC1(CCCN2CC3(C2)CC(F)(F)C3)CCOCC1 ZINC000619621092 353040836 /nfs/dbraw/zinc/04/08/36/353040836.db2.gz YBPRKLOGKSWJJV-UHFFFAOYSA-N 0 3 284.350 2.818 20 30 CFEDHN C#CCSCCNCc1ccc(OC(F)F)cc1 ZINC000152918099 188052379 /nfs/dbraw/zinc/05/23/79/188052379.db2.gz KVTCUGPCAMQYGV-UHFFFAOYSA-N 0 3 271.332 2.744 20 30 CFEDHN C#CCSCCNCc1c(F)cccc1N1CCCC1 ZINC000152939247 188054541 /nfs/dbraw/zinc/05/45/41/188054541.db2.gz LZPZTKYMKKQZJD-UHFFFAOYSA-N 0 3 292.423 2.882 20 30 CFEDHN C[C@](O)(CNCc1cccc(C#N)c1)c1cccs1 ZINC000152994792 188058211 /nfs/dbraw/zinc/05/82/11/188058211.db2.gz MDFLUVRRTCKYBV-HNNXBMFYSA-N 0 3 272.373 2.617 20 30 CFEDHN CCC[C@H](C)C(=O)NCCN[C@H](C)c1cccc(C#N)c1 ZINC000292436434 198288117 /nfs/dbraw/zinc/28/81/17/198288117.db2.gz 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C[C@@H](c1ccccc1)N1CC[C@@H](Nc2nccc(C#N)n2)C1 ZINC000450276841 242336759 /nfs/dbraw/zinc/33/67/59/242336759.db2.gz PROGEQWZSBJCGV-XJKSGUPXSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@@H]1CCC(C)(C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000452005899 243010750 /nfs/dbraw/zinc/01/07/50/243010750.db2.gz KPGJMRLHOACVLB-GFCCVEGCSA-N 0 3 271.364 2.760 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H]1CCCC[C@H]1O ZINC000574330420 335011113 /nfs/dbraw/zinc/01/11/13/335011113.db2.gz VPCUARNUPFIBAE-GOEBONIOSA-N 0 3 263.381 2.861 20 30 CFEDHN C=CCN(CCOCC(F)F)CCc1ccco1 ZINC000276287005 193273023 /nfs/dbraw/zinc/27/30/23/193273023.db2.gz VCNCCXVJTPPLME-UHFFFAOYSA-N 0 3 259.296 2.592 20 30 CFEDHN C#CC[C@H](NC[C@H](O)CC(F)(F)F)c1ccccc1 ZINC000276295729 193275781 /nfs/dbraw/zinc/27/57/81/193275781.db2.gz WIMMILBSKDFOEB-OLZOCXBDSA-N 0 3 271.282 2.654 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000412114675 284229810 /nfs/dbraw/zinc/22/98/10/284229810.db2.gz YBJJUUIKEZMBTQ-GUYCJALGSA-N 0 3 286.375 2.894 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000677047792 541813535 /nfs/dbraw/zinc/81/35/35/541813535.db2.gz HWJVTDIUKUKRCM-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000677047813 541813930 /nfs/dbraw/zinc/81/39/30/541813930.db2.gz IAPHTYZADUIOHZ-DLBZAZTESA-N 0 3 259.393 2.977 20 30 CFEDHN CCC#C[C@H](C)N1CCN(CCC(C)(C)C)CC1 ZINC000677048460 541814022 /nfs/dbraw/zinc/81/40/22/541814022.db2.gz YCLUSROQWFDKRK-HNNXBMFYSA-N 0 3 250.430 2.842 20 30 CFEDHN COCC#CCN(Cc1ccccc1)CC1CCOCC1 ZINC000677133496 541826305 /nfs/dbraw/zinc/82/63/05/541826305.db2.gz ZFADOLWTKZERQW-UHFFFAOYSA-N 0 3 287.403 2.565 20 30 CFEDHN COCC#CCN(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000677133156 541825667 /nfs/dbraw/zinc/82/56/67/541825667.db2.gz KIRDYXFXVGBJNF-CYBMUJFWSA-N 0 3 265.784 2.853 20 30 CFEDHN Cc1ncc(CNC2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000459681817 245271171 /nfs/dbraw/zinc/27/11/71/245271171.db2.gz XYAABZZKFQQUKB-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN Cn1cc(CN[C@@H]2C[C@H]2c2ccccc2F)cc1C#N ZINC000459737763 245294058 /nfs/dbraw/zinc/29/40/58/245294058.db2.gz WLPNQSUVADNRFM-GOEBONIOSA-N 0 3 269.323 2.682 20 30 CFEDHN CN(C)CCN(Cc1ccsc1)Cc1ccc(C#N)o1 ZINC000459761000 245309263 /nfs/dbraw/zinc/30/92/63/245309263.db2.gz XCUDKOVAPMSBCC-UHFFFAOYSA-N 0 3 289.404 2.777 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000677479977 541865324 /nfs/dbraw/zinc/86/53/24/541865324.db2.gz UEZUQVUTAQJLRJ-HNNXBMFYSA-N 0 3 290.451 2.949 20 30 CFEDHN COCC#CCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000677480266 541865334 /nfs/dbraw/zinc/86/53/34/541865334.db2.gz WFKZXNWUBUXDKC-INIZCTEOSA-N 0 3 261.340 2.906 20 30 CFEDHN CCCN(CCC)CC(=O)Nc1ccc(C#N)cc1 ZINC000019846797 372200164 /nfs/dbraw/zinc/20/01/64/372200164.db2.gz JMOYMGPZCUKKMV-UHFFFAOYSA-N 0 3 259.353 2.619 20 30 CFEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000023386512 372259264 /nfs/dbraw/zinc/25/92/64/372259264.db2.gz IYTDVPANCMJQDP-WMLDXEAASA-N 0 3 296.370 2.649 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000036777539 372591170 /nfs/dbraw/zinc/59/11/70/372591170.db2.gz KVVPIKFYZRWJEJ-UHFFFAOYSA-N 0 3 281.359 2.854 20 30 CFEDHN CN(C)CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000036805547 372598175 /nfs/dbraw/zinc/59/81/75/372598175.db2.gz LXDCGMWIYVMXAN-UHFFFAOYSA-N 0 3 257.259 2.551 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041520371 372845047 /nfs/dbraw/zinc/84/50/47/372845047.db2.gz TYCNKDUPRFDRFS-LBPRGKRZSA-N 0 3 272.329 2.950 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc(C)n2C)n1 ZINC000041518004 372845345 /nfs/dbraw/zinc/84/53/45/372845345.db2.gz WHRGDIBUALQUQJ-SNVBAGLBSA-N 0 3 259.334 2.589 20 30 CFEDHN N#Cc1nccnc1NCCN1CCC2(CCCCC2)CC1 ZINC000333265621 205165765 /nfs/dbraw/zinc/16/57/65/205165765.db2.gz GIUVOBJZPLQVDE-UHFFFAOYSA-N 0 3 299.422 2.806 20 30 CFEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H](C)C1 ZINC000263785511 383688570 /nfs/dbraw/zinc/68/85/70/383688570.db2.gz ZUTHJEPRXNAVNA-HUUCEWRRSA-N 0 3 285.391 2.664 20 30 CFEDHN OCCN(CC#Cc1ccccc1)C1CCCCC1 ZINC000051814907 373412436 /nfs/dbraw/zinc/41/24/36/373412436.db2.gz CCJMLZDDAWABRV-UHFFFAOYSA-N 0 3 257.377 2.665 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000054183495 373504609 /nfs/dbraw/zinc/50/46/09/373504609.db2.gz MDRCWSHNBGYRAP-LBPRGKRZSA-N 0 3 281.400 2.668 20 30 CFEDHN CN(CCCOCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000053607901 373483652 /nfs/dbraw/zinc/48/36/52/373483652.db2.gz HPIGYMQNFINRFB-UHFFFAOYSA-N 0 3 286.297 2.959 20 30 CFEDHN CCOC(=O)[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000057661402 373606712 /nfs/dbraw/zinc/60/67/12/373606712.db2.gz LYTJXTVFJUUCRO-INIZCTEOSA-N 0 3 286.375 2.528 20 30 CFEDHN CN(CCNc1c(C#N)cnc2ccccc21)C1CC1 ZINC000062010319 373742944 /nfs/dbraw/zinc/74/29/44/373742944.db2.gz PDKUYRNOBBNSJG-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN C[C@H](NCCc1nccs1)c1cccc(C#N)c1 ZINC000063133896 373787328 /nfs/dbraw/zinc/78/73/28/373787328.db2.gz OXGNMXHNZIFCNM-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN C[C@H](N[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000063218225 373798793 /nfs/dbraw/zinc/79/87/93/373798793.db2.gz CKCFVKXERZDLFF-KSSFIOAISA-N 0 3 280.371 2.812 20 30 CFEDHN C=CCN(CC=C)CCC(=O)NCC1CCCCC1 ZINC000066904731 373962494 /nfs/dbraw/zinc/96/24/94/373962494.db2.gz XHQULAVMFWNNKZ-UHFFFAOYSA-N 0 3 264.413 2.747 20 30 CFEDHN CN1CCC[C@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000069052385 374044526 /nfs/dbraw/zinc/04/45/26/374044526.db2.gz HMYKPXIKFWTQSB-CYBMUJFWSA-N 0 3 280.375 2.860 20 30 CFEDHN C=CC[C@H](CC)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289521634 197387797 /nfs/dbraw/zinc/38/77/97/197387797.db2.gz PVFCMMHESBBUJU-SOUVJXGZSA-N 0 3 287.359 2.762 20 30 CFEDHN C[C@H]1CSCCN1CCCOc1cccc(C#N)c1 ZINC000070219841 374148202 /nfs/dbraw/zinc/14/82/02/374148202.db2.gz UYGFLEVHSGBITN-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000070853657 374203049 /nfs/dbraw/zinc/20/30/49/374203049.db2.gz WIJJJUGAIFPLOY-IILDEKEXSA-N 0 3 290.451 2.825 20 30 CFEDHN COCC#CCNC1(c2ccc(Cl)cc2)CCC1 ZINC000677819055 541910097 /nfs/dbraw/zinc/91/00/97/541910097.db2.gz PPHWIRXKXZWFBV-UHFFFAOYSA-N 0 3 263.768 2.959 20 30 CFEDHN CCCCN(CCCO)Cc1ccc(C#N)c(OC)c1 ZINC000289484294 197369788 /nfs/dbraw/zinc/36/97/88/197369788.db2.gz QXTXSVCMTYMXKD-UHFFFAOYSA-N 0 3 276.380 2.551 20 30 CFEDHN CCCNC(=O)CN(CCC)CC(C)(C)CCC#N ZINC000092192781 375093804 /nfs/dbraw/zinc/09/38/04/375093804.db2.gz SHXUQZPVTLMHSA-UHFFFAOYSA-N 0 3 267.417 2.555 20 30 CFEDHN CC[C@H](C)CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000091796296 375061204 /nfs/dbraw/zinc/06/12/04/375061204.db2.gz QLXMZHFQPAFMFO-LBPRGKRZSA-N 0 3 256.353 2.684 20 30 CFEDHN CC[C@@H](C)CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000091796292 375062613 /nfs/dbraw/zinc/06/26/13/375062613.db2.gz QLXMZHFQPAFMFO-GFCCVEGCSA-N 0 3 256.353 2.684 20 30 CFEDHN Cc1nsc(NCCCN2CCCC[C@@H]2C)c1C#N ZINC000092912221 375165624 /nfs/dbraw/zinc/16/56/24/375165624.db2.gz RKPXCCGDAHGUQI-NSHDSACASA-N 0 3 278.425 3.000 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](n2cccn2)C1 ZINC000092967955 375171190 /nfs/dbraw/zinc/17/11/90/375171190.db2.gz JOWFTSSHMAHMRI-KRWDZBQOSA-N 0 3 295.386 2.732 20 30 CFEDHN C#CCN(Cc1c[nH]nc1-c1cccnc1)C1CCCC1 ZINC000093819815 375316596 /nfs/dbraw/zinc/31/65/96/375316596.db2.gz IIQVTRQDVDGHFX-UHFFFAOYSA-N 0 3 280.375 2.850 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@@H](COCC)C2)cc1 ZINC000093839108 375318972 /nfs/dbraw/zinc/31/89/72/375318972.db2.gz RHFGPLQKMFMRPZ-QGZVFWFLSA-N 0 3 287.403 2.947 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@H](COCC)C2)cc1 ZINC000093839109 375319563 /nfs/dbraw/zinc/31/95/63/375319563.db2.gz RHFGPLQKMFMRPZ-KRWDZBQOSA-N 0 3 287.403 2.947 20 30 CFEDHN C=CCCCN(C)Cc1cnc2nc(C)cc(C)n12 ZINC000093533608 375264478 /nfs/dbraw/zinc/26/44/78/375264478.db2.gz SPWYYIFHDKURBR-UHFFFAOYSA-N 0 3 258.369 2.744 20 30 CFEDHN C=CCOc1ccc(CN2CCCOC[C@@H]2C)cc1 ZINC000678274590 541995661 /nfs/dbraw/zinc/99/56/61/541995661.db2.gz QLCFLYXOOOZQPY-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591780 375367174 /nfs/dbraw/zinc/36/71/74/375367174.db2.gz JGFAQYOTJCWJSQ-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CC1CCN(CCNc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094591719 375367253 /nfs/dbraw/zinc/36/72/53/375367253.db2.gz QZRSUVOSGGKIIL-UHFFFAOYSA-N 0 3 288.351 2.610 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(C#N)c1F ZINC000451790768 383708205 /nfs/dbraw/zinc/70/82/05/383708205.db2.gz YZFSNJOUBQQRAX-KGLIPLIRSA-N 0 3 290.338 2.519 20 30 CFEDHN Cc1csc(N2CCCN(CCCCC#N)CC2)n1 ZINC000102398014 375671936 /nfs/dbraw/zinc/67/19/36/375671936.db2.gz XWFBNMGMTXHJMD-UHFFFAOYSA-N 0 3 278.425 2.658 20 30 CFEDHN COCC#CCNC(C)(C)c1cccc(Cl)c1 ZINC000678781563 542065432 /nfs/dbraw/zinc/06/54/32/542065432.db2.gz JWJDYEHZSAWMAX-UHFFFAOYSA-N 0 3 251.757 2.815 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1cccc(F)c1C#N ZINC000112011962 375877259 /nfs/dbraw/zinc/87/72/59/375877259.db2.gz CGXRCZGBAOUVHR-LBPRGKRZSA-N 0 3 261.344 2.984 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H](c1ccccc1)C(C)C ZINC000112699006 375949377 /nfs/dbraw/zinc/94/93/77/375949377.db2.gz OCGMAOWWOMUEQA-MRXNPFEDSA-N 0 3 260.381 2.618 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115554208 376136610 /nfs/dbraw/zinc/13/66/10/376136610.db2.gz KEYPSYXIGVAGHY-VYDXJSESSA-N 0 3 299.418 2.625 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115553327 376137349 /nfs/dbraw/zinc/13/73/49/376137349.db2.gz HBTLQVBYPJMBDN-DOTOQJQBSA-N 0 3 299.418 2.627 20 30 CFEDHN CN(CCCCC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115570404 376141169 /nfs/dbraw/zinc/14/11/69/376141169.db2.gz MRZWUBOGNCUFCE-INIZCTEOSA-N 0 3 285.391 2.808 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000678843964 542082221 /nfs/dbraw/zinc/08/22/21/542082221.db2.gz PTCNWUBSSYAZNA-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@H]1CCN(CCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000119977811 376519693 /nfs/dbraw/zinc/51/96/93/376519693.db2.gz ANEKKFNZXHKBGL-KBPBESRZSA-N 0 3 260.385 2.706 20 30 CFEDHN CN(Cc1ccccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120170839 376561428 /nfs/dbraw/zinc/56/14/28/376561428.db2.gz ICWJFNPZENLZFX-XHSDSOJGSA-N 0 3 270.376 2.804 20 30 CFEDHN CCCCCCCN1CCCN(C(=O)C2CC2)CC1 ZINC000121158507 376770735 /nfs/dbraw/zinc/77/07/35/376770735.db2.gz QMPFEZSMWSZTSF-UHFFFAOYSA-N 0 3 266.429 2.901 20 30 CFEDHN N#CC(C(=O)c1cccnc1)c1ccc(C(F)(F)F)cn1 ZINC000122452265 376929595 /nfs/dbraw/zinc/92/95/95/376929595.db2.gz DHQGMYGIAHJXGI-NSHDSACASA-N 0 3 291.232 2.985 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@@H]2CCCO2)cc1OC ZINC000124633266 377072498 /nfs/dbraw/zinc/07/24/98/377072498.db2.gz UJLCCWHFUHGPTH-HNNXBMFYSA-N 0 3 291.391 2.871 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2nccs2)C1 ZINC000124961539 377106189 /nfs/dbraw/zinc/10/61/89/377106189.db2.gz KYNHFZAWRDBUNS-QWHCGFSZSA-N 0 3 266.410 2.650 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127344602 377275415 /nfs/dbraw/zinc/27/54/15/377275415.db2.gz SUQHUAURVQQVOC-CABCVRRESA-N 0 3 293.455 2.999 20 30 CFEDHN C[C@@H]1C[C@H](NC2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603376 377290257 /nfs/dbraw/zinc/29/02/57/377290257.db2.gz ACRYBZNZIUUPAX-IGGSBBPBSA-N 0 3 295.430 2.825 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)C=C)C(C)C ZINC000128573771 377346792 /nfs/dbraw/zinc/34/67/92/377346792.db2.gz QRIZYFOLPNDITE-HUUCEWRRSA-N 0 3 279.428 2.559 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NCCN1CCCC[C@@H]1C ZINC000432094735 383721346 /nfs/dbraw/zinc/72/13/46/383721346.db2.gz VJFWOTHWWQWQTC-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C[C@H](N[C@H](CO)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000130346494 377541221 /nfs/dbraw/zinc/54/12/21/377541221.db2.gz XOLDZZMNSDVLCL-GUYCJALGSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCOCCN[C@H]1CCc2c1cc(F)cc2F ZINC000679463289 542193010 /nfs/dbraw/zinc/19/30/10/542193010.db2.gz VEYJVLWAOALUMQ-AWEZNQCLSA-N 0 3 253.292 2.744 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H]1c1ccc(COC)o1 ZINC000130887562 377627095 /nfs/dbraw/zinc/62/70/95/377627095.db2.gz VBEKYFLENCQLRB-UKRRQHHQSA-N 0 3 279.380 2.890 20 30 CFEDHN CC(C)(C)[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000131362421 377701089 /nfs/dbraw/zinc/70/10/89/377701089.db2.gz PEAIENNQSDSONO-AWEZNQCLSA-N 0 3 285.391 2.865 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000131636883 377738173 /nfs/dbraw/zinc/73/81/73/377738173.db2.gz ZJEWBTAODUTZDA-UKRRQHHQSA-N 0 3 258.365 2.523 20 30 CFEDHN C=CCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000132679759 377865333 /nfs/dbraw/zinc/86/53/33/377865333.db2.gz DTPSIXXYQJGQAK-UHFFFAOYSA-N 0 3 292.386 2.805 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCc3ccsc3C2)cc1 ZINC000132719923 377870385 /nfs/dbraw/zinc/87/03/85/377870385.db2.gz QTNGAGFYDKTVHX-OAHLLOKOSA-N 0 3 284.384 2.711 20 30 CFEDHN C=CCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000132750592 377872510 /nfs/dbraw/zinc/87/25/10/377872510.db2.gz PCPWNFZEOUGCOE-UHFFFAOYSA-N 0 3 284.363 2.887 20 30 CFEDHN N#Cc1ccc(CNC2CCSCC2)c(F)c1 ZINC000134424425 378013384 /nfs/dbraw/zinc/01/33/84/378013384.db2.gz KTLHVXSLRIDRPP-UHFFFAOYSA-N 0 3 250.342 2.683 20 30 CFEDHN C=CCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134869835 378056220 /nfs/dbraw/zinc/05/62/20/378056220.db2.gz MWTLKUJMEMQEAL-GOEBONIOSA-N 0 3 272.392 2.732 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000135128638 378086143 /nfs/dbraw/zinc/08/61/43/378086143.db2.gz WBYHIHYYYWQDPA-INIZCTEOSA-N 0 3 269.348 2.544 20 30 CFEDHN CC(C)CC[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000135313050 378114978 /nfs/dbraw/zinc/11/49/78/378114978.db2.gz CKIFAKQXNUGFGQ-RDJZCZTQSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C)CC[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000135313071 378115815 /nfs/dbraw/zinc/11/58/15/378115815.db2.gz CKIFAKQXNUGFGQ-WBVHZDCISA-N 0 3 291.439 2.695 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CSCCS2)s1 ZINC000135507666 378140317 /nfs/dbraw/zinc/14/03/17/378140317.db2.gz REQJVLVCGSFFTQ-LLVKDONJSA-N 0 3 270.448 2.558 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCC1CC1 ZINC000135284265 378110289 /nfs/dbraw/zinc/11/02/89/378110289.db2.gz XOKLENCPZXDKSS-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)o1 ZINC000136461797 378200321 /nfs/dbraw/zinc/20/03/21/378200321.db2.gz QDKWYYXZNOGTAP-BRWVUGGUSA-N 0 3 264.328 2.827 20 30 CFEDHN CCN(CC(OC)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000136747015 378209041 /nfs/dbraw/zinc/20/90/41/378209041.db2.gz HFAROYJGRNTEQW-LBPRGKRZSA-N 0 3 262.353 2.560 20 30 CFEDHN CC(C)CCOCCNCc1ccc(C#N)s1 ZINC000135687975 378158025 /nfs/dbraw/zinc/15/80/25/378158025.db2.gz LZVYVIWGJLFUTA-UHFFFAOYSA-N 0 3 252.383 2.772 20 30 CFEDHN C#CCCCCNCc1c(Cl)nc2ccccn21 ZINC000150736622 378268211 /nfs/dbraw/zinc/26/82/11/378268211.db2.gz ZEKVRLCVFNFVCA-UHFFFAOYSA-N 0 3 261.756 2.881 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(NC(=O)C3CC3)CC2)C1 ZINC000328706513 378416363 /nfs/dbraw/zinc/41/63/63/378416363.db2.gz AJPOVFNBHCFUSM-RISCZKNCSA-N 0 3 261.369 2.510 20 30 CFEDHN C[C@@H]1C[C@@H](C(=O)NCCN2CCCCCC2)CC(=O)N1 ZINC000329347712 378456963 /nfs/dbraw/zinc/45/69/63/378456963.db2.gz RXWZXFYJIBNNRY-CHWSQXEVSA-N 0 3 281.400 2.574 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)NC2CCN(C3CC3)CC2)CC(=O)N1 ZINC000329399903 378460457 /nfs/dbraw/zinc/46/04/57/378460457.db2.gz AWTPBQRVBJKQQY-NWDGAFQWSA-N 0 3 293.411 2.715 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC(=O)N1 ZINC000328826654 378428820 /nfs/dbraw/zinc/42/88/20/378428820.db2.gz SWGCLJOVBMLZAG-JHJVBQTASA-N 0 3 281.400 2.572 20 30 CFEDHN CN1CCC[C@@H]1CNC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000328831592 378430595 /nfs/dbraw/zinc/43/05/95/378430595.db2.gz LBPQGWCYFKQJMH-SNVBAGLBSA-N 0 3 296.440 2.861 20 30 CFEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)C(=O)NC1CCCC1 ZINC000328918720 378439754 /nfs/dbraw/zinc/43/97/54/378439754.db2.gz SENQRVITKJSIJQ-PSOPSSQASA-N 0 3 293.411 2.761 20 30 CFEDHN C[C@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)CN1C1CC1 ZINC000329727446 378487405 /nfs/dbraw/zinc/48/74/05/378487405.db2.gz OTTSPLCOLZMZDX-JSGCOSHPSA-N 0 3 292.386 2.565 20 30 CFEDHN C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)c1ncon1 ZINC000329901047 378510972 /nfs/dbraw/zinc/51/09/72/378510972.db2.gz GONSXUIBKXXELE-AAEUAGOBSA-N 0 3 292.383 2.884 20 30 CFEDHN CCC(CC)CN(CC)[C@@H](C)C(=O)N(C)CCC#N ZINC000153866950 378517887 /nfs/dbraw/zinc/51/78/87/378517887.db2.gz MQXOFHPXYCUCSD-ZDUSSCGKSA-N 0 3 267.417 2.505 20 30 CFEDHN C=CCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154215769 378549674 /nfs/dbraw/zinc/54/96/74/378549674.db2.gz FJGKCNPMWFDUPI-HNNXBMFYSA-N 0 3 290.382 2.682 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cnc(C)cn1 ZINC000330430049 378553738 /nfs/dbraw/zinc/55/37/38/378553738.db2.gz HWXATAATHSZEPG-AWEZNQCLSA-N 0 3 290.411 2.744 20 30 CFEDHN CCCCCNC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000330441373 378556401 /nfs/dbraw/zinc/55/64/01/378556401.db2.gz UXHYXKLTLCXRAG-GDBMZVCRSA-N 0 3 291.439 2.697 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)cc2F)n1 ZINC000155400180 378625911 /nfs/dbraw/zinc/62/59/11/378625911.db2.gz RAJYSGUDOAHQIO-SECBINFHSA-N 0 3 293.298 2.976 20 30 CFEDHN CC#CCCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000156003487 378635089 /nfs/dbraw/zinc/63/50/89/378635089.db2.gz PXAVDKASPMMVPA-KRWDZBQOSA-N 0 3 257.377 2.733 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)NCC(F)(F)F ZINC000156220643 378637020 /nfs/dbraw/zinc/63/70/20/378637020.db2.gz HFYMCFHWPSFFHX-LLVKDONJSA-N 0 3 280.334 2.732 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cn(C)nc1C(C)C ZINC000330669069 378596057 /nfs/dbraw/zinc/59/60/57/378596057.db2.gz KLWAZNZAVVIGPT-ZDUSSCGKSA-N 0 3 292.427 2.723 20 30 CFEDHN COc1ccc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1C#N ZINC000331286013 378662666 /nfs/dbraw/zinc/66/26/66/378662666.db2.gz MAHVLJFGWKVORY-WOSRLPQWSA-N 0 3 288.391 2.548 20 30 CFEDHN COCC(C)(C)NCC#Cc1cccc(Cl)c1 ZINC000158193997 378666811 /nfs/dbraw/zinc/66/68/11/378666811.db2.gz WIRSMWLWWJFOSK-UHFFFAOYSA-N 0 3 251.757 2.706 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2CC(N)=O)cc1F ZINC000331193532 378647215 /nfs/dbraw/zinc/64/72/15/378647215.db2.gz XZXMVFQZICOJHT-CYBMUJFWSA-N 0 3 275.327 2.977 20 30 CFEDHN CC[C@@H](CC#N)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000157064817 378649547 /nfs/dbraw/zinc/64/95/47/378649547.db2.gz UTIYEULNHNNXLZ-ZDUSSCGKSA-N 0 3 274.368 2.562 20 30 CFEDHN CCC(CC)(CNCc1ccccc1C#N)C(=O)OC ZINC000159669096 378723010 /nfs/dbraw/zinc/72/30/10/378723010.db2.gz VRGQIKWKYHSTJH-UHFFFAOYSA-N 0 3 274.364 2.627 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332177630 378732609 /nfs/dbraw/zinc/73/26/09/378732609.db2.gz MMJNAHMRQOWSSE-RISCZKNCSA-N 0 3 282.347 2.886 20 30 CFEDHN COc1cc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)ccc1C#N ZINC000332499411 378771002 /nfs/dbraw/zinc/77/10/02/378771002.db2.gz ZXBHXIGMNVMLQR-NVXWUHKLSA-N 0 3 288.391 2.860 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H](C)N2CCC[C@H](C)C2)n1 ZINC000160593278 378784246 /nfs/dbraw/zinc/78/42/46/378784246.db2.gz BOABUAFORRTFJA-GXTWGEPZSA-N 0 3 272.396 2.794 20 30 CFEDHN CCCN(CCO)Cc1cccc(OCCCC#N)c1 ZINC000161209878 378831229 /nfs/dbraw/zinc/83/12/29/378831229.db2.gz LDZJEYYQUKSLJP-UHFFFAOYSA-N 0 3 276.380 2.573 20 30 CFEDHN C=CCC[C@@H](NCCCN1CCN(C)CC1)c1ccco1 ZINC000278487357 194007902 /nfs/dbraw/zinc/00/79/02/194007902.db2.gz BEZCAKLQAYZMAV-MRXNPFEDSA-N 0 3 291.439 2.514 20 30 CFEDHN C=CC[C@H](C)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162134795 378895807 /nfs/dbraw/zinc/89/58/07/378895807.db2.gz RDGHXAWJSLPBKC-CABZTGNLSA-N 0 3 297.196 2.530 20 30 CFEDHN CCC[C@H](CC)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163084794 378954218 /nfs/dbraw/zinc/95/42/18/378954218.db2.gz SEXPFAZUTOUFEL-AWEZNQCLSA-N 0 3 294.420 2.500 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cc(F)c(F)c(F)c2)C1 ZINC000335285808 379027953 /nfs/dbraw/zinc/02/79/53/379027953.db2.gz HQZSIJVDAGVRNL-WCBMZHEXSA-N 0 3 254.255 2.886 20 30 CFEDHN CC1(C#N)CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000335313674 379067115 /nfs/dbraw/zinc/06/71/15/379067115.db2.gz OQDJGNLZSNIQLE-UHFFFAOYSA-N 0 3 280.375 2.998 20 30 CFEDHN CC(C)(C#N)CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000168925755 379100586 /nfs/dbraw/zinc/10/05/86/379100586.db2.gz ZRJKQAZDLJMLSM-MRXNPFEDSA-N 0 3 271.408 2.790 20 30 CFEDHN CC[C@@H](N[C@H]1CC(=O)N(C(C)C)C1)c1ccc(C#N)cc1 ZINC000278753536 194138864 /nfs/dbraw/zinc/13/88/64/194138864.db2.gz OCBUCJMDHDRHCT-JKSUJKDBSA-N 0 3 285.391 2.608 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000334345322 379129241 /nfs/dbraw/zinc/12/92/41/379129241.db2.gz OPHXVMUARRYLKF-HOTGVXAUSA-N 0 3 274.339 2.841 20 30 CFEDHN CC(C#N)C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC000335338476 379118838 /nfs/dbraw/zinc/11/88/38/379118838.db2.gz ZCKAPMCKAVQUBC-LRDDRELGSA-N 0 3 256.349 2.556 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000170776398 379157292 /nfs/dbraw/zinc/15/72/92/379157292.db2.gz ZZXFSWYUNMNETB-UHFFFAOYSA-N 0 3 276.380 2.667 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000334355618 379146874 /nfs/dbraw/zinc/14/68/74/379146874.db2.gz AUKZZEBPTLTDGO-LLVKDONJSA-N 0 3 292.766 2.869 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000335366562 379169069 /nfs/dbraw/zinc/16/90/69/379169069.db2.gz CEIUTXPPHOBZGP-IRXDYDNUSA-N 0 3 270.376 2.949 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000171718511 379383377 /nfs/dbraw/zinc/38/33/77/379383377.db2.gz IVZIKCLXZUAEHZ-UHFFFAOYSA-N 0 3 286.419 2.776 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)NCCCCC#N)c1 ZINC000171724555 379385013 /nfs/dbraw/zinc/38/50/13/379385013.db2.gz GVYSEWQSCIHAFP-UHFFFAOYSA-N 0 3 274.368 2.564 20 30 CFEDHN CC(=O)c1ccc2c(c1)CCN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000334473211 379360411 /nfs/dbraw/zinc/36/04/11/379360411.db2.gz IYOZHIVFVVJGKB-KDOFPFPSSA-N 0 3 282.387 2.982 20 30 CFEDHN CCCN(Cc1ccc(C#N)cn1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000571891953 383736218 /nfs/dbraw/zinc/73/62/18/383736218.db2.gz OQNJYWNZNBBYAA-GVDBMIGSSA-N 0 3 299.418 2.979 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccs2)CC1 ZINC000172349838 379546728 /nfs/dbraw/zinc/54/67/28/379546728.db2.gz NGLYRARNOBKXSA-GFCCVEGCSA-N 0 3 278.421 2.618 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1Cc1cc(C#N)cs1 ZINC000334581985 379571764 /nfs/dbraw/zinc/57/17/64/379571764.db2.gz JZBQJLWVUJWMDD-JSGCOSHPSA-N 0 3 275.421 2.678 20 30 CFEDHN C=CCCCN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172829507 379654101 /nfs/dbraw/zinc/65/41/01/379654101.db2.gz XVRXIXMZBXRPLX-HNNXBMFYSA-N 0 3 274.364 2.910 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H]3COCC[C@H]32)c1 ZINC000335659737 379675746 /nfs/dbraw/zinc/67/57/46/379675746.db2.gz QTWIRXJVIYKQKQ-GXTWGEPZSA-N 0 3 262.378 2.621 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC000334637762 379680482 /nfs/dbraw/zinc/68/04/82/379680482.db2.gz XHJJTKOXZWHGED-KRWDZBQOSA-N 0 3 297.402 2.535 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000173435786 379737922 /nfs/dbraw/zinc/73/79/22/379737922.db2.gz QJRMDVCLFSFPJU-GFCCVEGCSA-N 0 3 279.405 2.721 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C1CCC1)C(C)C ZINC000173927390 379802388 /nfs/dbraw/zinc/80/23/88/379802388.db2.gz GBFVJWSWEFYQFT-INIZCTEOSA-N 0 3 293.455 2.879 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000334730621 379839018 /nfs/dbraw/zinc/83/90/18/379839018.db2.gz KKCHPSXKCWIVII-CYBMUJFWSA-N 0 3 298.390 2.639 20 30 CFEDHN N#Cc1ccc(CNCC2(c3ccccc3)CCOCC2)o1 ZINC000174266640 379853714 /nfs/dbraw/zinc/85/37/14/379853714.db2.gz PHUQAJRFBZCEQC-UHFFFAOYSA-N 0 3 296.370 2.989 20 30 CFEDHN COc1cc(CN2CCS[C@H](C)CC2)ccc1C#N ZINC000335774012 379867000 /nfs/dbraw/zinc/86/70/00/379867000.db2.gz QGZJFPMSAKAPNS-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN CCc1nc2c(s1)[C@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000335774888 379867315 /nfs/dbraw/zinc/86/73/15/379867315.db2.gz VKKCMSCRSHBGKS-GXSJLCMTSA-N 0 3 277.393 2.701 20 30 CFEDHN COc1ccc(CNC[C@H](O)c2ccccc2C)cc1C#N ZINC000174383536 379874613 /nfs/dbraw/zinc/87/46/13/379874613.db2.gz IUBRDXWVWCGLCZ-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN C[C@@H](N[C@@H]1COCC1(C)C)c1ccc(C#N)cc1F ZINC000335223741 380034016 /nfs/dbraw/zinc/03/40/16/380034016.db2.gz PCDAXBSYEOWNHU-QMTHXVAHSA-N 0 3 262.328 2.773 20 30 CFEDHN CC(C(=O)Nc1nc2c(cc1C#N)CCCC2)C(F)(F)F ZINC000335871946 380028322 /nfs/dbraw/zinc/02/83/22/380028322.db2.gz SRQFSTCHJUIZAE-MRVPVSSYSA-N 0 3 297.280 2.969 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)C23CCCC3)c1F ZINC000335885242 380050489 /nfs/dbraw/zinc/05/04/89/380050489.db2.gz JCDARXIZOBZZIU-AWEZNQCLSA-N 0 3 274.339 2.577 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000335893308 380064532 /nfs/dbraw/zinc/06/45/32/380064532.db2.gz VSWJZKDVRWHCSC-CABZTGNLSA-N 0 3 278.739 2.830 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)N1CCC(C)(C#N)CC1 ZINC000335245707 380072797 /nfs/dbraw/zinc/07/27/97/380072797.db2.gz CTTBYRXJTNCEEL-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000335899489 380074290 /nfs/dbraw/zinc/07/42/90/380074290.db2.gz OROAGHYAWOPHCC-JKSUJKDBSA-N 0 3 264.413 2.533 20 30 CFEDHN Cc1cc(CN2CCS[C@H]3COCC[C@@H]32)ccc1C#N ZINC000335226703 380040607 /nfs/dbraw/zinc/04/06/07/380040607.db2.gz BPCUKIUVUWGICW-HOTGVXAUSA-N 0 3 288.416 2.573 20 30 CFEDHN CC[S@@](=O)[C@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000175866166 380145158 /nfs/dbraw/zinc/14/51/58/380145158.db2.gz OJQQPXIHYHGSQD-NXPJVHOHSA-N 0 3 296.461 2.789 20 30 CFEDHN CC[S@@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000175864415 380146181 /nfs/dbraw/zinc/14/61/81/380146181.db2.gz UCHKJPVJWCVVQB-RZQQEMMASA-N 0 3 290.432 2.728 20 30 CFEDHN C=C1CCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000264465038 383742880 /nfs/dbraw/zinc/74/28/80/383742880.db2.gz LNBZJIPLOUAOQP-INIZCTEOSA-N 0 3 299.418 2.666 20 30 CFEDHN C[C@H]1CN(CC#Cc2cccc(Cl)c2)[C@@H](C)CN1C ZINC000335975343 380183372 /nfs/dbraw/zinc/18/33/72/380183372.db2.gz NFNJAIIKOQMFQA-KBPBESRZSA-N 0 3 276.811 2.716 20 30 CFEDHN COc1ccc2c(c1)CCN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000336363145 380330592 /nfs/dbraw/zinc/33/05/92/380330592.db2.gz DTEYHPWSISRNRJ-CJNGLKHVSA-N 0 3 270.376 2.788 20 30 CFEDHN COc1ccc2c(c1)CCN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000336363147 380331078 /nfs/dbraw/zinc/33/10/78/380331078.db2.gz DTEYHPWSISRNRJ-CZUORRHYSA-N 0 3 270.376 2.788 20 30 CFEDHN C[C@H](CNC(=O)c1cscc1C#N)N1CCCC[C@@H]1C ZINC000432391809 383744612 /nfs/dbraw/zinc/74/46/12/383744612.db2.gz NVTFTPGFNJVWBF-NWDGAFQWSA-N 0 3 291.420 2.612 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000336290349 380309996 /nfs/dbraw/zinc/30/99/96/380309996.db2.gz XOOASGAMOLBWBI-QMMMGPOBSA-N 0 3 266.703 2.523 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000336510416 380386898 /nfs/dbraw/zinc/38/68/98/380386898.db2.gz QYEBACFVDGMNLO-UHFFFAOYSA-N 0 3 299.418 2.699 20 30 CFEDHN C[C@@H](O)CCN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000279069890 194270423 /nfs/dbraw/zinc/27/04/23/194270423.db2.gz LOJGBDFITYWXGS-ZJUUUORDSA-N 0 3 252.745 2.633 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000179098020 380508436 /nfs/dbraw/zinc/50/84/36/380508436.db2.gz AVWHAWPROAZIBB-GJZGRUSLSA-N 0 3 262.328 2.745 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000179106920 380510418 /nfs/dbraw/zinc/51/04/18/380510418.db2.gz ZMQKFABEKNVMEQ-KBXCAEBGSA-N 0 3 299.418 2.735 20 30 CFEDHN C=CCC[C@H](NCCCC(=O)N(C)C)c1ccco1 ZINC000279114055 194289013 /nfs/dbraw/zinc/28/90/13/194289013.db2.gz WOHDHSHIGSNRSX-ZDUSSCGKSA-N 0 3 264.369 2.745 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)C2CCCC2)CC1 ZINC000179312796 380529817 /nfs/dbraw/zinc/52/98/17/380529817.db2.gz LIAXCBXCISSHKF-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN CN(c1ccc(C#N)cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336654493 380583683 /nfs/dbraw/zinc/58/36/83/380583683.db2.gz BCLPPACRTQPZST-QGZVFWFLSA-N 0 3 292.386 2.664 20 30 CFEDHN Cc1cc(NC(=O)C(C#N)c2nc(C(C)C)cs2)no1 ZINC000179476080 380547272 /nfs/dbraw/zinc/54/72/72/380547272.db2.gz VHSIRYFXZVDPMC-SECBINFHSA-N 0 3 290.348 2.809 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179768172 380578239 /nfs/dbraw/zinc/57/82/39/380578239.db2.gz LELGNOXFGRNBHL-LBPRGKRZSA-N 0 3 256.349 2.709 20 30 CFEDHN COCC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399632 284838041 /nfs/dbraw/zinc/83/80/41/284838041.db2.gz JAVBLNVXWTYTRS-ZDUSSCGKSA-N 0 3 258.365 2.978 20 30 CFEDHN C=C(CC)CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336710025 380603094 /nfs/dbraw/zinc/60/30/94/380603094.db2.gz ORGDTUMHYBMBOA-NSHDSACASA-N 0 3 251.292 2.732 20 30 CFEDHN Cc1cc(C#N)cc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000336713541 380604642 /nfs/dbraw/zinc/60/46/42/380604642.db2.gz NBSIMNMYCZAEFC-QGZVFWFLSA-N 0 3 292.386 2.948 20 30 CFEDHN C#CCSCCN[C@@H](C)c1sc(C)nc1C ZINC000181094769 380738129 /nfs/dbraw/zinc/73/81/29/380738129.db2.gz JDATVMRNDFQNEW-VIFPVBQESA-N 0 3 254.424 2.777 20 30 CFEDHN C#CCSCCN[C@@H](C)c1sc(CCOC)nc1C ZINC000181101478 380740158 /nfs/dbraw/zinc/74/01/58/380740158.db2.gz MNZGQZKNCPYVIH-NSHDSACASA-N 0 3 298.477 2.657 20 30 CFEDHN CC(C)(C)[C@H](CCO)NCc1cc(C#N)ccc1F ZINC000181474987 380801355 /nfs/dbraw/zinc/80/13/55/380801355.db2.gz QKVPVEMNDMFKNX-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000341167917 380812860 /nfs/dbraw/zinc/81/28/60/380812860.db2.gz UDYXTBZGAPBQNK-CQSZACIVSA-N 0 3 293.370 2.525 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccccc1C ZINC000181539457 380821397 /nfs/dbraw/zinc/82/13/97/380821397.db2.gz JWILNCJUVVGVOV-UKRRQHHQSA-N 0 3 287.407 2.654 20 30 CFEDHN CCN(C[C@@H](C)C#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181668150 380860731 /nfs/dbraw/zinc/86/07/31/380860731.db2.gz QYZKMIDMPIHMPB-AWEZNQCLSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358559252 380926962 /nfs/dbraw/zinc/92/69/62/380926962.db2.gz PCVCBPPYXCTUJN-DGCLKSJQSA-N 0 3 262.328 2.533 20 30 CFEDHN C[C@@H]1CCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279238072 194347046 /nfs/dbraw/zinc/34/70/46/194347046.db2.gz JRUXDEQHYGINBN-BXUZGUMPSA-N 0 3 282.347 2.886 20 30 CFEDHN C=C(CC)CN1CCC(CC(=O)N2CCCC2)CC1 ZINC000358509105 380893767 /nfs/dbraw/zinc/89/37/67/380893767.db2.gz NEBUZBYOTVIUGH-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000368033981 380896089 /nfs/dbraw/zinc/89/60/89/380896089.db2.gz IMNIZUDUNKCNIU-LEWSCRJBSA-N 0 3 276.405 2.913 20 30 CFEDHN C=CC[C@H]1N(C(=O)N[C@@H](C)CN(C)C)CCCC1(C)C ZINC000358524753 380903835 /nfs/dbraw/zinc/90/38/35/380903835.db2.gz NJWAMOXPCJCDJB-UONOGXRCSA-N 0 3 281.444 2.713 20 30 CFEDHN N#Cc1ccc(N2CC[C@@H](N3C[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000368069643 380908846 /nfs/dbraw/zinc/90/88/46/380908846.db2.gz HDZQKHZAESHKNI-DJIMGWMZSA-N 0 3 295.386 2.538 20 30 CFEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000407991928 380911664 /nfs/dbraw/zinc/91/16/64/380911664.db2.gz YCIGSLWANPCDBH-QLFBSQMISA-N 0 3 291.439 2.553 20 30 CFEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000407991926 380912068 /nfs/dbraw/zinc/91/20/68/380912068.db2.gz YCIGSLWANPCDBH-KKUMJFAQSA-N 0 3 291.439 2.553 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000279249849 194352432 /nfs/dbraw/zinc/35/24/32/194352432.db2.gz LDLIVMUCZJJITD-YGRLFVJLSA-N 0 3 291.782 2.928 20 30 CFEDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000279249846 194352464 /nfs/dbraw/zinc/35/24/64/194352464.db2.gz LDLIVMUCZJJITD-QMTHXVAHSA-N 0 3 291.782 2.928 20 30 CFEDHN Cn1cc(CN[C@H](CCCC#N)c2ccccc2)cn1 ZINC000353913212 380951515 /nfs/dbraw/zinc/95/15/15/380951515.db2.gz HQYUOGQAWLEXJN-MRXNPFEDSA-N 0 3 268.364 2.945 20 30 CFEDHN C[C@@H](NC[C@H](C)N(C)C1CC1)c1ccc(C#N)cc1F ZINC000358596861 380957759 /nfs/dbraw/zinc/95/77/59/380957759.db2.gz WHQGPCFVWDHXPQ-NWDGAFQWSA-N 0 3 275.371 2.831 20 30 CFEDHN C[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)[S@](C)=O ZINC000358567092 380935499 /nfs/dbraw/zinc/93/54/99/380935499.db2.gz JCYUMPJKMQMNSE-FDMGOTLNSA-N 0 3 282.384 2.505 20 30 CFEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358575473 380941150 /nfs/dbraw/zinc/94/11/50/380941150.db2.gz SUMCMDTVYUSNIB-BONVTDFDSA-N 0 3 262.328 2.773 20 30 CFEDHN CC[C@H](COC)N[C@H](C)c1ccc(C#N)cc1F ZINC000358581594 380945720 /nfs/dbraw/zinc/94/57/20/380945720.db2.gz YVZRCLXRWHUVCF-ZYHUDNBSSA-N 0 3 250.317 2.773 20 30 CFEDHN CCCCN(C)C(=O)C1CCN([C@@H](C)CCC#N)CC1 ZINC000411185763 381015141 /nfs/dbraw/zinc/01/51/41/381015141.db2.gz WTDPFOOXSNHUAX-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@@H](C#N)CN(C)CC[C@H](C)CCN(C)C[C@H](C)C#N ZINC000411225824 381018460 /nfs/dbraw/zinc/01/84/60/381018460.db2.gz MEZHXXGYSZIYHG-PHZGNYQRSA-N 0 3 278.444 2.586 20 30 CFEDHN C[C@H](CO)N(Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000347237950 381021016 /nfs/dbraw/zinc/02/10/16/381021016.db2.gz UUPLDVWRBMJBFQ-GFCCVEGCSA-N 0 3 276.355 2.823 20 30 CFEDHN COc1cccc(CNCCc2cccc(C#N)c2)c1OC ZINC000341459172 381024366 /nfs/dbraw/zinc/02/43/66/381024366.db2.gz LIVGSNAVQPQESG-UHFFFAOYSA-N 0 3 296.370 2.908 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000411508298 381029897 /nfs/dbraw/zinc/02/98/97/381029897.db2.gz SDUDXRUFQABFPR-HIFRSBDPSA-N 0 3 268.364 2.975 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000287985707 380987949 /nfs/dbraw/zinc/98/79/49/380987949.db2.gz KRCOKCQMSCZHPL-DZGCQCFKSA-N 0 3 275.396 2.553 20 30 CFEDHN CN(CCc1cnccn1)CCC1(C#N)CCCCC1 ZINC000411433304 381030131 /nfs/dbraw/zinc/03/01/31/381030131.db2.gz UDUYOAFYIPSDFI-UHFFFAOYSA-N 0 3 272.396 2.815 20 30 CFEDHN N#CC1(CCN2CCC(O)(C(F)F)CC2)CCCCC1 ZINC000411564381 381030818 /nfs/dbraw/zinc/03/08/18/381030818.db2.gz DBTLKTXUAXZDAL-UHFFFAOYSA-N 0 3 286.366 2.943 20 30 CFEDHN C[C@@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000410892599 381003019 /nfs/dbraw/zinc/00/30/19/381003019.db2.gz WRVLROMRIIQVNM-AWEZNQCLSA-N 0 3 285.391 2.657 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1F ZINC000368504204 381049734 /nfs/dbraw/zinc/04/97/34/381049734.db2.gz PHVRMUXDXNBLCP-MRXNPFEDSA-N 0 3 274.339 2.700 20 30 CFEDHN C=CCCCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000279330040 194387285 /nfs/dbraw/zinc/38/72/85/194387285.db2.gz QAUOOYBHWUIXKH-UHFFFAOYSA-N 0 3 289.423 2.726 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1ccccc1C#N)C1CC1 ZINC000411952235 381069334 /nfs/dbraw/zinc/06/93/34/381069334.db2.gz RCDKYVSXUGGSQP-WBMJQRKESA-N 0 3 258.365 2.851 20 30 CFEDHN C[C@@H](CNc1nccc(C#N)c1Cl)N1CCC[C@@H](C)C1 ZINC000341532150 381069425 /nfs/dbraw/zinc/06/94/25/381069425.db2.gz NQWXYEJAWBQEHT-NEPJUHHUSA-N 0 3 292.814 2.561 20 30 CFEDHN Cc1ccc(SC[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000354042337 381040032 /nfs/dbraw/zinc/04/00/32/381040032.db2.gz LNWFUCSPJMIMOY-RYUDHWBXSA-N 0 3 262.378 2.752 20 30 CFEDHN Cc1ccc(SC[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000354042338 381040172 /nfs/dbraw/zinc/04/01/72/381040172.db2.gz LNWFUCSPJMIMOY-VXGBXAGGSA-N 0 3 262.378 2.752 20 30 CFEDHN Cc1ccc(SC[C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000354042336 381040641 /nfs/dbraw/zinc/04/06/41/381040641.db2.gz LNWFUCSPJMIMOY-NWDGAFQWSA-N 0 3 262.378 2.752 20 30 CFEDHN COC1([C@H](C)NCc2ccc(C#N)cc2F)CCC1 ZINC000412015671 381090897 /nfs/dbraw/zinc/09/08/97/381090897.db2.gz ABAXAIYAERHBKA-NSHDSACASA-N 0 3 262.328 2.745 20 30 CFEDHN CCN(CC(=O)NCc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000412032171 381108664 /nfs/dbraw/zinc/10/86/64/381108664.db2.gz GYIMQYWUPRBUQK-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCc2cc(Br)ccc21 ZINC000289758797 381141096 /nfs/dbraw/zinc/14/10/96/381141096.db2.gz LMGSLZXTCXHHNJ-AAEUAGOBSA-N 0 3 282.181 2.573 20 30 CFEDHN N#CCCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182835896 381167589 /nfs/dbraw/zinc/16/75/89/381167589.db2.gz FXDBVBQMAHSMTH-LLVKDONJSA-N 0 3 286.301 2.843 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(C#N)c(C)c2)C1 ZINC000347454180 381161194 /nfs/dbraw/zinc/16/11/94/381161194.db2.gz QUXFEVRECUTENU-UHFFFAOYSA-N 0 3 258.365 2.866 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000347466583 381168346 /nfs/dbraw/zinc/16/83/46/381168346.db2.gz SDJVSWFDOCBLAB-NHYWBVRUSA-N 0 3 271.364 2.655 20 30 CFEDHN CCC(CC)CN(CCC#N)CCCn1ccnc1 ZINC000182814650 381163035 /nfs/dbraw/zinc/16/30/35/381163035.db2.gz UXQMSXKJERYONE-UHFFFAOYSA-N 0 3 262.401 2.925 20 30 CFEDHN CC[C@H](C)N(CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000347455670 381163247 /nfs/dbraw/zinc/16/32/47/381163247.db2.gz NSZDJLFQAROBPF-NSHDSACASA-N 0 3 298.333 2.752 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SC)c(F)c1 ZINC000289804883 381166297 /nfs/dbraw/zinc/16/62/97/381166297.db2.gz OESCFGMCZMSJAS-GXSJLCMTSA-N 0 3 255.358 2.745 20 30 CFEDHN C[C@@H](NCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000182666171 381134358 /nfs/dbraw/zinc/13/43/58/381134358.db2.gz KCKUPNZMWXBZMN-GFCCVEGCSA-N 0 3 271.368 2.710 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)c1ccc(C#N)s1 ZINC000354198246 381134859 /nfs/dbraw/zinc/13/48/59/381134859.db2.gz FVMWKGWZAXYDRR-UHFFFAOYSA-N 0 3 299.399 2.976 20 30 CFEDHN C=CCCCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354264151 381171161 /nfs/dbraw/zinc/17/11/61/381171161.db2.gz IHWPXUFBEPVOOZ-OAHLLOKOSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CC[C@@H]1N(C[C@@H]2CCCS(=O)(=O)C2)CCCC1(C)C ZINC000342169005 381218538 /nfs/dbraw/zinc/21/85/38/381218538.db2.gz OYKFZWPIFIBQJU-GJZGRUSLSA-N 0 3 299.480 2.878 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000342084502 381210478 /nfs/dbraw/zinc/21/04/78/381210478.db2.gz LMFAWSKFRHKSKK-IHRRRGAJSA-N 0 3 267.417 2.513 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000296100871 381254929 /nfs/dbraw/zinc/25/49/29/381254929.db2.gz RUIQJHKGBGIJKX-VHSXEESVSA-N 0 3 290.190 2.897 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000183379106 381264646 /nfs/dbraw/zinc/26/46/46/381264646.db2.gz YMRCFXFDMDCILP-HUUCEWRRSA-N 0 3 287.407 2.530 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](C)[C@H](C)c1ccccc1 ZINC000183379148 381264759 /nfs/dbraw/zinc/26/47/59/381264759.db2.gz YMRCFXFDMDCILP-LSDHHAIUSA-N 0 3 287.407 2.530 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000289931434 381222274 /nfs/dbraw/zinc/22/22/74/381222274.db2.gz VNMRGFYXMQKXCP-NWDGAFQWSA-N 0 3 296.798 2.502 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000289932155 381223044 /nfs/dbraw/zinc/22/30/44/381223044.db2.gz TUNFOSSGYSAMJA-RTBURBONSA-N 0 3 292.382 2.814 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(C#N)cc1 ZINC000369328212 381236085 /nfs/dbraw/zinc/23/60/85/381236085.db2.gz ZPWYQKWVQCMRLW-VZEFYGNVSA-N 0 3 297.402 2.608 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](C(C)(C)C)C[C@H]2C)C1=O ZINC000347599798 381245991 /nfs/dbraw/zinc/24/59/91/381245991.db2.gz MERBXLULSXXMRK-ILXRZTDVSA-N 0 3 278.440 2.920 20 30 CFEDHN CN(C)Cc1cnc(CNCC(C)(C)CCC#N)s1 ZINC000342285550 381248683 /nfs/dbraw/zinc/24/86/83/381248683.db2.gz RVRYNOBKYGJMPG-UHFFFAOYSA-N 0 3 280.441 2.624 20 30 CFEDHN N#CC(C(=O)c1ccc(OC2CCC2)cc1)c1ccncn1 ZINC000354461085 381286497 /nfs/dbraw/zinc/28/64/97/381286497.db2.gz GQUWJKKPFYWANX-OAHLLOKOSA-N 0 3 293.326 2.898 20 30 CFEDHN N#CC(C(=O)c1cccc(-n2cccc2)c1)c1ccncn1 ZINC000354460708 381286986 /nfs/dbraw/zinc/28/69/86/381286986.db2.gz FORYAARQESWSBQ-OAHLLOKOSA-N 0 3 288.310 2.757 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000412408648 381289594 /nfs/dbraw/zinc/28/95/94/381289594.db2.gz LGLJCLBMJGUHFT-HNNXBMFYSA-N 0 3 273.380 2.972 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000347680242 381293285 /nfs/dbraw/zinc/29/32/85/381293285.db2.gz AKHZEXPPVALUAL-BETUJISGSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000354448263 381275236 /nfs/dbraw/zinc/27/52/36/381275236.db2.gz PNLGWIOAHJMXFS-GJZGRUSLSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCN(CCc1cncn1C)Cc1ccc(OC)cc1 ZINC000290067173 381283198 /nfs/dbraw/zinc/28/31/98/381283198.db2.gz PTGUYWASUAYFEX-UHFFFAOYSA-N 0 3 285.391 2.659 20 30 CFEDHN CCCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354458577 381284457 /nfs/dbraw/zinc/28/44/57/381284457.db2.gz BXDZAKMCAMXWCX-AWEZNQCLSA-N 0 3 265.316 2.919 20 30 CFEDHN C=CCn1c([C@@H](C)CC)nnc1N1CCCN(CC)CC1 ZINC000290150880 381321126 /nfs/dbraw/zinc/32/11/26/381321126.db2.gz HXGXKDZWPFXJEB-AWEZNQCLSA-N 0 3 291.443 2.510 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)C#N ZINC000342455412 381340378 /nfs/dbraw/zinc/34/03/78/381340378.db2.gz CUDQONPXURNTRR-CYBMUJFWSA-N 0 3 274.368 2.528 20 30 CFEDHN N#Cc1csc(CNC[C@H]2COc3ccccc32)c1 ZINC000342408280 381315389 /nfs/dbraw/zinc/31/53/89/381315389.db2.gz BNWSEJLTVFNQCL-LBPRGKRZSA-N 0 3 270.357 2.886 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2COc3ccccc32)c1 ZINC000342408279 381315940 /nfs/dbraw/zinc/31/59/40/381315940.db2.gz BNWSEJLTVFNQCL-GFCCVEGCSA-N 0 3 270.357 2.886 20 30 CFEDHN C#C[C@@H](NCc1ccc(NC(C)=O)cc1)C(C)(C)C ZINC000290216943 381346527 /nfs/dbraw/zinc/34/65/27/381346527.db2.gz RCFFPNBGMNMTGM-OAHLLOKOSA-N 0 3 258.365 2.783 20 30 CFEDHN C#Cc1ccc(CNC[C@](C)(O)c2ccsc2)cc1 ZINC000290225044 381348344 /nfs/dbraw/zinc/34/83/44/381348344.db2.gz FJNBPVTZJKZRRV-INIZCTEOSA-N 0 3 271.385 2.727 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC=CC[C@@H]2C)CC1 ZINC000342476450 381350485 /nfs/dbraw/zinc/35/04/85/381350485.db2.gz NXTJHTMDOSRTJM-HOCLYGCPSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCOCCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296343605 381353952 /nfs/dbraw/zinc/35/39/52/381353952.db2.gz PZZCOYGBMHNSRZ-CQSZACIVSA-N 0 3 269.772 2.508 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354594237 381358402 /nfs/dbraw/zinc/35/84/02/381358402.db2.gz FUMTUIAOJYHCPZ-CABCVRRESA-N 0 3 279.428 2.505 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCCc2nc(Cl)ccc21 ZINC000296487880 381417459 /nfs/dbraw/zinc/41/74/59/381417459.db2.gz PMDKPFVMRUEURQ-CMPLNLGQSA-N 0 3 266.772 2.639 20 30 CFEDHN C=CC[C@@H](C)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000342592102 381421171 /nfs/dbraw/zinc/42/11/71/381421171.db2.gz MEDYIWQPLRBVLO-CYBMUJFWSA-N 0 3 291.395 2.713 20 30 CFEDHN Cc1noc(C2CCC(NCc3ccc(C#N)o3)CC2)n1 ZINC000370291040 381423198 /nfs/dbraw/zinc/42/31/98/381423198.db2.gz PJJUSFSAFNBXDC-UHFFFAOYSA-N 0 3 286.335 2.659 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000347970295 381439548 /nfs/dbraw/zinc/43/95/48/381439548.db2.gz NIZUACOYWLAZNX-LLVKDONJSA-N 0 3 251.292 2.853 20 30 CFEDHN C#Cc1ccc(CNC[C@](C)(O)c2cccs2)cc1 ZINC000290487657 381447973 /nfs/dbraw/zinc/44/79/73/381447973.db2.gz VRILSDFADPZVKL-INIZCTEOSA-N 0 3 271.385 2.727 20 30 CFEDHN CC[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@H](O)C(F)F ZINC000296493901 381420449 /nfs/dbraw/zinc/42/04/49/381420449.db2.gz OTUOLRWUHIMDFB-XDTLVQLUSA-N 0 3 268.307 2.613 20 30 CFEDHN C=CCOCCCN[C@H](COC)c1ccc(F)cc1 ZINC000348034113 381453790 /nfs/dbraw/zinc/45/37/90/381453790.db2.gz NMAWYANSBZAIBW-OAHLLOKOSA-N 0 3 267.344 2.696 20 30 CFEDHN C=CCOCCCNC(C)(C)c1nc2ccccc2n1C ZINC000348030752 381454273 /nfs/dbraw/zinc/45/42/73/381454273.db2.gz JDQLPZVXSMRIOO-UHFFFAOYSA-N 0 3 287.407 2.991 20 30 CFEDHN C=CCOCCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000348050355 381456965 /nfs/dbraw/zinc/45/69/65/381456965.db2.gz MIXCMDFNWJYTPK-KRWDZBQOSA-N 0 3 275.392 2.825 20 30 CFEDHN C=CCOCCCN[C@@H](c1nnc2ccccn21)C(C)C ZINC000348052207 381458302 /nfs/dbraw/zinc/45/83/02/381458302.db2.gz NHVPUJMENBKMNG-OAHLLOKOSA-N 0 3 288.395 2.609 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000348194671 381470677 /nfs/dbraw/zinc/47/06/77/381470677.db2.gz XPJRONAASYIKFK-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000342737200 381509703 /nfs/dbraw/zinc/50/97/03/381509703.db2.gz QIPDSNFOTKNERW-ZIAGYGMSSA-N 0 3 252.402 2.674 20 30 CFEDHN C=C(C)CN(CC)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359616334 381510499 /nfs/dbraw/zinc/51/04/99/381510499.db2.gz ZBYYPZYXYGDRQL-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(CC=C)C(=O)CNC(C)(C)c1cccs1 ZINC000348305040 381493617 /nfs/dbraw/zinc/49/36/17/381493617.db2.gz HQHDQSCOSQNVAI-UHFFFAOYSA-N 0 3 278.421 2.773 20 30 CFEDHN C=CCCN(C)CC(=O)N(CC)C1CCCCC1 ZINC000342715425 381495796 /nfs/dbraw/zinc/49/57/96/381495796.db2.gz AZFVYHJNSPYMOG-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000290790652 381553579 /nfs/dbraw/zinc/55/35/79/381553579.db2.gz OIQXIJIBTINKPG-GXFFZTMASA-N 0 3 286.335 2.504 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810133 381558533 /nfs/dbraw/zinc/55/85/33/381558533.db2.gz OUGTXQZAHHVHDI-CXAGYDPISA-N 0 3 281.403 2.620 20 30 CFEDHN C=CCCCCCN1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348416521 381560688 /nfs/dbraw/zinc/56/06/88/381560688.db2.gz BGICOKXSGQYYAR-OAHLLOKOSA-N 0 3 276.428 2.835 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCC(=O)N2 ZINC000414162874 381565629 /nfs/dbraw/zinc/56/56/29/381565629.db2.gz HWHJTKKVRTZDSW-LLVKDONJSA-N 0 3 287.363 2.608 20 30 CFEDHN CC(C)(CC#N)CN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000414160069 381566071 /nfs/dbraw/zinc/56/60/71/381566071.db2.gz CFIUHTWWVZURGY-ZDUSSCGKSA-N 0 3 275.400 2.956 20 30 CFEDHN C[C@@H](NCC(C)(C)CCC#N)c1cc2n(n1)CCC2 ZINC000414164420 381566120 /nfs/dbraw/zinc/56/61/20/381566120.db2.gz OFZPAPSQXOTAJJ-GFCCVEGCSA-N 0 3 260.385 2.810 20 30 CFEDHN CN(C[C@H](O)CSc1ccc(C#N)cc1Cl)C1CC1 ZINC000290842565 381570730 /nfs/dbraw/zinc/57/07/30/381570730.db2.gz WGUYCFVVAUXRIU-LBPRGKRZSA-N 0 3 296.823 2.759 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@H](C#N)C1 ZINC000414226119 381571453 /nfs/dbraw/zinc/57/14/53/381571453.db2.gz SWTLTNRUXYNLBX-SDNTUTLCSA-N 0 3 270.376 2.971 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000371362090 381601510 /nfs/dbraw/zinc/60/15/10/381601510.db2.gz XERSVTZHGMXASN-UHFFFAOYSA-N 0 3 297.402 2.760 20 30 CFEDHN Cc1nc(NC2CCN(C3CC3)CC2)c(Cl)cc1C#N ZINC000290953351 381608976 /nfs/dbraw/zinc/60/89/76/381608976.db2.gz MKVHOGVBIFAKFG-UHFFFAOYSA-N 0 3 290.798 2.954 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)o1 ZINC000348555073 381631868 /nfs/dbraw/zinc/63/18/68/381631868.db2.gz ZHKPIBSWKFMURX-CHWSQXEVSA-N 0 3 262.353 2.667 20 30 CFEDHN CC[C@@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@H]1O ZINC000355190281 381664762 /nfs/dbraw/zinc/66/47/62/381664762.db2.gz PNLLKDCJKAWMEB-NVXWUHKLSA-N 0 3 288.391 2.572 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@H]2CCN(C3CC3)C2)c1C#N ZINC000343443905 381714500 /nfs/dbraw/zinc/71/45/00/381714500.db2.gz VICFLZATBAIMQX-LBPRGKRZSA-N 0 3 290.798 2.588 20 30 CFEDHN C=CCC[C@H](O)CN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000371735908 381690629 /nfs/dbraw/zinc/69/06/29/381690629.db2.gz MIQVDMOKNWJFKO-HNNXBMFYSA-N 0 3 297.402 2.979 20 30 CFEDHN C[C@H](C(=O)NCCN1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000360013971 381728103 /nfs/dbraw/zinc/72/81/03/381728103.db2.gz CZFFTZJHHLLGCH-CABCVRRESA-N 0 3 299.418 2.652 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000372003564 381734961 /nfs/dbraw/zinc/73/49/61/381734961.db2.gz ORPCUOMAYOZXMF-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360062009 381758977 /nfs/dbraw/zinc/75/89/77/381758977.db2.gz URZNFVWTZGUEIU-JKIFEVAISA-N 0 3 299.418 2.891 20 30 CFEDHN CCN1CCC(N(C)c2ncc(Cl)c(C)c2C#N)CC1 ZINC000343484852 381744165 /nfs/dbraw/zinc/74/41/65/381744165.db2.gz ZYIYGSKVZDFLLQ-UHFFFAOYSA-N 0 3 292.814 2.836 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1OC ZINC000185755303 381725312 /nfs/dbraw/zinc/72/53/12/381725312.db2.gz IGQICIBHKLPAEU-GXTWGEPZSA-N 0 3 274.364 2.876 20 30 CFEDHN CCC[C@@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000343538814 381782361 /nfs/dbraw/zinc/78/23/61/381782361.db2.gz WBISBLKERQDTMC-DOTOQJQBSA-N 0 3 299.418 2.659 20 30 CFEDHN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)C(C)C#N ZINC000360721389 381788265 /nfs/dbraw/zinc/78/82/65/381788265.db2.gz KUDAHQBNRMRYEH-FZMZJTMJSA-N 0 3 260.337 2.764 20 30 CFEDHN C=CCN(CC=C)C(=O)c1cccc(CN(C)C)c1 ZINC000360172390 381769216 /nfs/dbraw/zinc/76/92/16/381769216.db2.gz XBROVAUGWGJSSP-UHFFFAOYSA-N 0 3 258.365 2.562 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC2(C#N)CC2)C1 ZINC000361375846 381823304 /nfs/dbraw/zinc/82/33/04/381823304.db2.gz FQPGQEQLPMVZNI-UGUYLWEFSA-N 0 3 276.424 2.942 20 30 CFEDHN C#CCCOc1ccc(CN(C)C(C)(C)COC)cc1 ZINC000292796184 381838066 /nfs/dbraw/zinc/83/80/66/381838066.db2.gz MZFMERHXNDJSRJ-UHFFFAOYSA-N 0 3 275.392 2.946 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000343564268 381802369 /nfs/dbraw/zinc/80/23/69/381802369.db2.gz RHSSYRYMSGEEEZ-UXLLHSPISA-N 0 3 286.419 2.945 20 30 CFEDHN CN(Cc1ccc(C#N)s1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000372398960 381805154 /nfs/dbraw/zinc/80/51/54/381805154.db2.gz YXVWDMLZMPRTBZ-MGPQQGTHSA-N 0 3 276.405 2.865 20 30 CFEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1ccccc1Cl ZINC000361203679 381807257 /nfs/dbraw/zinc/80/72/57/381807257.db2.gz DDTHUTMTZLMVQH-GHMZBOCLSA-N 0 3 280.755 2.773 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3ccc(Cl)c(C#N)n3)C2)C1 ZINC000292714910 381818534 /nfs/dbraw/zinc/81/85/34/381818534.db2.gz GYRJBEDONIECNE-OAHLLOKOSA-N 0 3 290.798 2.529 20 30 CFEDHN C=CCN(CCOC)CCOc1cc(C)ccc1C ZINC000361997834 381878008 /nfs/dbraw/zinc/87/80/08/381878008.db2.gz YZBMQSNQGHFCKZ-UHFFFAOYSA-N 0 3 263.381 2.817 20 30 CFEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000416103367 381878097 /nfs/dbraw/zinc/87/80/97/381878097.db2.gz CDYMYWAQLZSHBN-OEUWWYETSA-N 0 3 295.386 2.743 20 30 CFEDHN C=C1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000416150868 381881983 /nfs/dbraw/zinc/88/19/83/381881983.db2.gz MRNSWLQTBQQSNG-INIZCTEOSA-N 0 3 272.392 2.858 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000343617957 381847100 /nfs/dbraw/zinc/84/71/00/381847100.db2.gz BFILCQDZDVQZEB-BBRMVZONSA-N 0 3 297.402 2.824 20 30 CFEDHN Cc1nc2ccc(C(=O)C(C#N)c3ccccn3)cc2n1C ZINC000361660596 381855537 /nfs/dbraw/zinc/85/55/37/381855537.db2.gz BODAWFDNPYAODL-ZDUSSCGKSA-N 0 3 290.326 2.767 20 30 CFEDHN OC[C@H]1CCCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000372767198 381862689 /nfs/dbraw/zinc/86/26/89/381862689.db2.gz PPQFWLKUDCISEY-HNNXBMFYSA-N 0 3 277.795 2.786 20 30 CFEDHN CCOC(=O)c1ccc(CNCCc2cccc(C#N)c2)o1 ZINC000343643377 381863245 /nfs/dbraw/zinc/86/32/45/381863245.db2.gz UZYOZINILSQPNI-UHFFFAOYSA-N 0 3 298.342 2.660 20 30 CFEDHN COCCN1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000299226064 381864107 /nfs/dbraw/zinc/86/41/07/381864107.db2.gz CNYIXZMALJIWPF-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN C=CCN(C(=O)Nc1cccc(CNC)c1)C1CC1 ZINC000415926183 381870858 /nfs/dbraw/zinc/87/08/58/381870858.db2.gz CQQCQLAKHVDDGH-UHFFFAOYSA-N 0 3 259.353 2.588 20 30 CFEDHN C=C[C@@H](C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415963169 381871731 /nfs/dbraw/zinc/87/17/31/381871731.db2.gz VCGHNBLWWNEEKW-MRVPVSSYSA-N 0 3 287.285 2.860 20 30 CFEDHN C=CCCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415978566 381873492 /nfs/dbraw/zinc/87/34/92/381873492.db2.gz VBTVSZVIMRQZBR-UHFFFAOYSA-N 0 3 277.343 2.559 20 30 CFEDHN CCCCCCCC(=O)N1CCCN(CC)CC1 ZINC000372948067 381894008 /nfs/dbraw/zinc/89/40/08/381894008.db2.gz MWSGHZYNIUNKPS-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN COc1ccc(CN2CCCO[C@@H](C(C)C)C2)cc1C#N ZINC000293029431 381957227 /nfs/dbraw/zinc/95/72/27/381957227.db2.gz GDDBNCPHXVUIGC-QGZVFWFLSA-N 0 3 288.391 2.814 20 30 CFEDHN CC#CCN(C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000293054187 381968847 /nfs/dbraw/zinc/96/88/47/381968847.db2.gz IBHZDFYZFWVILF-XJKSGUPXSA-N 0 3 295.810 2.734 20 30 CFEDHN C=C(CNCc1cc(C(N)=O)cs1)c1ccccc1 ZINC000343774514 381934979 /nfs/dbraw/zinc/93/49/79/381934979.db2.gz XRKGHTXJRCGQQH-UHFFFAOYSA-N 0 3 272.373 2.650 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCCCOC)C(C)C ZINC000299451040 381947134 /nfs/dbraw/zinc/94/71/34/381947134.db2.gz OBJALTICGQASKG-INIZCTEOSA-N 0 3 296.455 2.618 20 30 CFEDHN C[C@H](c1cccc(F)c1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373415486 382000504 /nfs/dbraw/zinc/00/05/04/382000504.db2.gz YZUVWNUUJRDYCT-GFCCVEGCSA-N 0 3 299.353 2.687 20 30 CFEDHN C[C@@H](c1cccc(F)c1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373415488 382000560 /nfs/dbraw/zinc/00/05/60/382000560.db2.gz YZUVWNUUJRDYCT-LBPRGKRZSA-N 0 3 299.353 2.687 20 30 CFEDHN C=CCN(Cc1ccc(OCCOC)c(OC)c1)C1CC1 ZINC000350268637 382010155 /nfs/dbraw/zinc/01/01/55/382010155.db2.gz QJJXPVSVWPYVGS-UHFFFAOYSA-N 0 3 291.391 2.871 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000293165598 382014954 /nfs/dbraw/zinc/01/49/54/382014954.db2.gz GBAUUKDIDZUEBR-AWEZNQCLSA-N 0 3 296.361 2.925 20 30 CFEDHN Cn1cc(-c2cccc(CN[C@H]3CC[C@H](C#N)C3)c2)cn1 ZINC000349805379 381990881 /nfs/dbraw/zinc/99/08/81/381990881.db2.gz VNISCIXJQGOLGP-GUYCJALGSA-N 0 3 280.375 2.869 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000186710136 381992000 /nfs/dbraw/zinc/99/20/00/381992000.db2.gz HEJFONPYCZQXEQ-RHSMWYFYSA-N 0 3 285.391 2.519 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000349823314 381993818 /nfs/dbraw/zinc/99/38/18/381993818.db2.gz UFXVWYADYWJVGH-ZFWWWQNUSA-N 0 3 266.348 2.654 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000351528568 382042032 /nfs/dbraw/zinc/04/20/32/382042032.db2.gz DJRZKYRAFWAOGW-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)C(C)C#N ZINC000343980075 382046703 /nfs/dbraw/zinc/04/67/03/382046703.db2.gz RAHDPZIVTSXWPV-DTZQCDIJSA-N 0 3 286.375 2.614 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@](C)(CC)C1 ZINC000362391548 382047254 /nfs/dbraw/zinc/04/72/54/382047254.db2.gz PRJZGRYKABIAQA-MRXNPFEDSA-N 0 3 266.429 2.923 20 30 CFEDHN C=C(C)CN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000375141918 382069305 /nfs/dbraw/zinc/06/93/05/382069305.db2.gz PZZVTCLXBYTWNV-AWEZNQCLSA-N 0 3 262.353 2.629 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000343995229 382056423 /nfs/dbraw/zinc/05/64/23/382056423.db2.gz BWUNQJMCMAFOSF-IPYPFGDCSA-N 0 3 256.349 2.941 20 30 CFEDHN C=C(C)CCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000351751031 382060130 /nfs/dbraw/zinc/06/01/30/382060130.db2.gz FEZIARHBHFCFCU-UHFFFAOYSA-N 0 3 284.407 2.647 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)CN(C)C(C)C ZINC000351855260 382066766 /nfs/dbraw/zinc/06/67/66/382066766.db2.gz SFKOBAJWWOZMMN-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN CC#CCCCC(=O)N1CCCN(CC2CCC2)CC1 ZINC000351026118 382021640 /nfs/dbraw/zinc/02/16/40/382021640.db2.gz AVYOZLYMQWHGPU-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN C[C@@H]1CC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000343969287 382040107 /nfs/dbraw/zinc/04/01/07/382040107.db2.gz VGYJRXMLMKRHEI-SNPRPXQTSA-N 0 3 256.349 2.674 20 30 CFEDHN COCC[C@@H]1CCCCN(C[C@H](C#N)CCC#N)C1 ZINC000375810348 382104403 /nfs/dbraw/zinc/10/44/03/382104403.db2.gz LBMJFKDZAJRXQL-GJZGRUSLSA-N 0 3 263.385 2.569 20 30 CFEDHN CO[C@]1(C)CCCN(CC#Cc2ccccc2)CC1 ZINC000376012222 382115586 /nfs/dbraw/zinc/11/55/86/382115586.db2.gz CLRLIMVRRQKGPL-QGZVFWFLSA-N 0 3 257.377 2.929 20 30 CFEDHN CC[C@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCCOC2)O1 ZINC000376030549 382116295 /nfs/dbraw/zinc/11/62/95/382116295.db2.gz SLAHTXGBBFOLQM-RDJZCZTQSA-N 0 3 294.439 2.976 20 30 CFEDHN C=C(C)CN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000344024496 382074213 /nfs/dbraw/zinc/07/42/13/382074213.db2.gz IROMDRZQDRMRDV-MRXNPFEDSA-N 0 3 277.364 2.639 20 30 CFEDHN C=C(C)CN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000344024494 382075056 /nfs/dbraw/zinc/07/50/56/382075056.db2.gz IROMDRZQDRMRDV-INIZCTEOSA-N 0 3 277.364 2.639 20 30 CFEDHN N#Cc1c(CN2CCC[C@H]3COCC[C@H]32)cn2ccccc12 ZINC000362455769 382079660 /nfs/dbraw/zinc/07/96/60/382079660.db2.gz TXHATMUMPOLLMZ-WMLDXEAASA-N 0 3 295.386 2.812 20 30 CFEDHN C[C@@H](NCCNC(=O)CC1CCCC1)c1cccc(C#N)c1 ZINC000344094017 382126454 /nfs/dbraw/zinc/12/64/54/382126454.db2.gz GGIIMTLWPWNKJA-CQSZACIVSA-N 0 3 299.418 2.905 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@H](c2nnc[nH]2)C1 ZINC000375407168 382084417 /nfs/dbraw/zinc/08/44/17/382084417.db2.gz VVBVBSVEWSYZPR-ZDUSSCGKSA-N 0 3 275.400 2.704 20 30 CFEDHN CC#CCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375406249 382084888 /nfs/dbraw/zinc/08/48/88/382084888.db2.gz UKDXKLAUSRUONU-KRWDZBQOSA-N 0 3 255.361 2.921 20 30 CFEDHN CCCCCCCN1CCO[C@]2(CCCOC2)C1 ZINC000375617116 382094875 /nfs/dbraw/zinc/09/48/75/382094875.db2.gz GNQPVXFSRZIIPZ-OAHLLOKOSA-N 0 3 255.402 2.838 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC2(CCN2CCCC#N)CC1 ZINC000375705864 382099003 /nfs/dbraw/zinc/09/90/03/382099003.db2.gz QWCKSBOXNVUPKS-UHFFFAOYSA-N 0 3 293.411 2.766 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418250745 382136347 /nfs/dbraw/zinc/13/63/47/382136347.db2.gz VQLVPXFVKOZUTE-OAHLLOKOSA-N 0 3 275.396 2.514 20 30 CFEDHN C=CCC1(CNC(=O)N2CCN[C@@H](C)[C@H]2C)CCCC1 ZINC000418259821 382139242 /nfs/dbraw/zinc/13/92/42/382139242.db2.gz OWICYBJVXDZIGY-UONOGXRCSA-N 0 3 279.428 2.515 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293549292 382169697 /nfs/dbraw/zinc/16/96/97/382169697.db2.gz RBGWKRRZQZYXFK-SFHVURJKSA-N 0 3 298.361 2.733 20 30 CFEDHN C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000357440661 382172351 /nfs/dbraw/zinc/17/23/51/382172351.db2.gz LERQPCQTDZHARK-NSHDSACASA-N 0 3 286.335 2.529 20 30 CFEDHN C=CCSCCNCc1cc(OC)ccc1F ZINC000293610586 382195833 /nfs/dbraw/zinc/19/58/33/382195833.db2.gz PPUBAPGUIHOZJO-UHFFFAOYSA-N 0 3 255.358 2.843 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C(C)(C)C)C1 ZINC000344204404 382197319 /nfs/dbraw/zinc/19/73/19/382197319.db2.gz GYHKIFUIFNRMAZ-CKEIUWERSA-N 0 3 293.455 2.797 20 30 CFEDHN C=CCC[C@H](NCCCc1cnn(C)n1)c1ccco1 ZINC000293633239 382205270 /nfs/dbraw/zinc/20/52/70/382205270.db2.gz GRDSFRNWBVSILF-AWEZNQCLSA-N 0 3 274.368 2.638 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000352184449 382210600 /nfs/dbraw/zinc/21/06/00/382210600.db2.gz RAESJIJYXODYJD-AWEZNQCLSA-N 0 3 259.353 2.663 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000357530812 382211166 /nfs/dbraw/zinc/21/11/66/382211166.db2.gz ZAJXIOMGYLDRDN-AVGNSLFASA-N 0 3 279.384 2.583 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NCc1ccc(C#N)s1 ZINC000187566963 382211325 /nfs/dbraw/zinc/21/13/25/382211325.db2.gz XBRJCYPVNGAFIT-ZDUSSCGKSA-N 0 3 277.437 2.974 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNCc1cc(C#N)cs1 ZINC000344227050 382214537 /nfs/dbraw/zinc/21/45/37/382214537.db2.gz UUAYGYYMUBZWPJ-BETUJISGSA-N 0 3 277.437 2.972 20 30 CFEDHN CC[C@@H]1[C@@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000187580935 382215898 /nfs/dbraw/zinc/21/58/98/382215898.db2.gz JUTNYSGCIIYLKT-SWLSCSKDSA-N 0 3 268.364 2.826 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1ccccc1Cl)C(C)C ZINC000302270484 382233054 /nfs/dbraw/zinc/23/30/54/382233054.db2.gz CWXDEJOHCRZJMQ-KGLIPLIRSA-N 0 3 251.757 2.621 20 30 CFEDHN N#CCCOCCN1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419297894 382277213 /nfs/dbraw/zinc/27/72/13/382277213.db2.gz GXRAFKJEGLXVBH-OAHLLOKOSA-N 0 3 294.345 2.902 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc(C)c(C#N)n1 ZINC000302646659 382281735 /nfs/dbraw/zinc/28/17/35/382281735.db2.gz MGPMNOVULUYCFS-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCOCCCN1CCC(Oc2ccncc2C)CC1 ZINC000352351713 382285993 /nfs/dbraw/zinc/28/59/93/382285993.db2.gz ZQZHEQQVWCDVMO-UHFFFAOYSA-N 0 3 290.407 2.826 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(n2cncn2)CC1 ZINC000187663776 382239245 /nfs/dbraw/zinc/23/92/45/382239245.db2.gz BQMATGUGUSCFBG-CYBMUJFWSA-N 0 3 281.363 2.548 20 30 CFEDHN C=CCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000352233232 382240270 /nfs/dbraw/zinc/24/02/70/382240270.db2.gz BBTUHQNNJRJGOU-OAHLLOKOSA-N 0 3 258.365 2.690 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363631577 382240479 /nfs/dbraw/zinc/24/04/79/382240479.db2.gz ORTCCVFQHARNFY-QGZVFWFLSA-N 0 3 286.419 2.981 20 30 CFEDHN C[C@H](NCCOCCC#N)c1cccc(Cl)c1 ZINC000293701412 382240754 /nfs/dbraw/zinc/24/07/54/382240754.db2.gz CUJQERXUKJWTKS-NSHDSACASA-N 0 3 252.745 2.921 20 30 CFEDHN C=CCOCCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000293710146 382243931 /nfs/dbraw/zinc/24/39/31/382243931.db2.gz DOTCOKXKIUZYFC-QGZVFWFLSA-N 0 3 291.391 2.947 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2cncn2)C1 ZINC000187678045 382244259 /nfs/dbraw/zinc/24/42/59/382244259.db2.gz VOKQYRYNNQYMMJ-BBRMVZONSA-N 0 3 281.363 2.548 20 30 CFEDHN COCCCC[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000352361576 382290255 /nfs/dbraw/zinc/29/02/55/382290255.db2.gz RUUMGCIGJLDNFA-ZFWWWQNUSA-N 0 3 274.364 2.820 20 30 CFEDHN C=CC(C)(C)CN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000419227195 382251773 /nfs/dbraw/zinc/25/17/73/382251773.db2.gz JXQDDCPRUBWXJG-CYBMUJFWSA-N 0 3 293.411 2.704 20 30 CFEDHN CCC[C@@H](CNCc1ccc(C#N)cc1F)OC ZINC000293731371 382253889 /nfs/dbraw/zinc/25/38/89/382253889.db2.gz RJKOZLLQDXEORR-ZDUSSCGKSA-N 0 3 250.317 2.602 20 30 CFEDHN Cc1ccc(NCCN2CCCC[C@H]2C)nc1C#N ZINC000302600519 382275084 /nfs/dbraw/zinc/27/50/84/382275084.db2.gz BZQMNOLSRRORDP-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN CN1CC[C@H]2CCN(c3cc(Cl)ccc3C#N)C[C@H]21 ZINC000364311119 382304309 /nfs/dbraw/zinc/30/43/09/382304309.db2.gz VOWGLMAFYDNVDJ-XHDPSFHLSA-N 0 3 275.783 2.742 20 30 CFEDHN Cc1nc(-c2ccccc2)sc1CNC(=O)C(C)C#N ZINC000345793871 382313680 /nfs/dbraw/zinc/31/36/80/382313680.db2.gz FEAWSOIMZLIGNO-JTQLQIEISA-N 0 3 285.372 2.894 20 30 CFEDHN CCN(CCc1ccccc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345848158 382318743 /nfs/dbraw/zinc/31/87/43/382318743.db2.gz IWMLDSAEOCLPOB-HNNXBMFYSA-N 0 3 299.418 2.502 20 30 CFEDHN Cc1c(C(=O)C(C#N)c2ccncn2)ccn1C(C)C ZINC000346000768 382326944 /nfs/dbraw/zinc/32/69/44/382326944.db2.gz ZUWCXALLVNUZCL-CYBMUJFWSA-N 0 3 268.320 2.658 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000346050100 382329295 /nfs/dbraw/zinc/32/92/95/382329295.db2.gz BHVYCTRJXGIICF-CQSZACIVSA-N 0 3 281.444 2.905 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000188033747 382329420 /nfs/dbraw/zinc/32/94/20/382329420.db2.gz YAZCEZLMXNOFTB-KBXCAEBGSA-N 0 3 297.402 2.794 20 30 CFEDHN CN(C)C1(CN(C)C(=O)/C=C/c2cccc(C#N)c2)CCC1 ZINC000188043867 382332275 /nfs/dbraw/zinc/33/22/75/382332275.db2.gz CWIZCDSRYCGMPO-CMDGGOBGSA-N 0 3 297.402 2.514 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000352436598 382332596 /nfs/dbraw/zinc/33/25/96/382332596.db2.gz ADXBOYQCWMOZFV-ZBFHGGJFSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(C#N)C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000346204894 382336494 /nfs/dbraw/zinc/33/64/94/382336494.db2.gz CBQDZYWKLJCBLW-YRGRVCCFSA-N 0 3 274.389 2.851 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352446125 382336867 /nfs/dbraw/zinc/33/68/67/382336867.db2.gz VHOCWVWTLZDWRF-UXLLHSPISA-N 0 3 296.455 2.594 20 30 CFEDHN CCOc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000357826915 382338881 /nfs/dbraw/zinc/33/88/81/382338881.db2.gz MMRYXMHMLRUFNI-SWLSCSKDSA-N 0 3 272.348 2.908 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCc2ccccc2C1 ZINC000357827244 382340924 /nfs/dbraw/zinc/34/09/24/382340924.db2.gz ZPBYDJCXOWFLNC-CZUORRHYSA-N 0 3 270.376 2.942 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(C)cc1Cl ZINC000293930704 382342562 /nfs/dbraw/zinc/34/25/62/382342562.db2.gz HYBOZHPLGNSTIR-UHFFFAOYSA-N 0 3 292.810 2.642 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187926278 382299698 /nfs/dbraw/zinc/29/96/98/382299698.db2.gz JCAMEMRHSFYOKV-CXAGYDPISA-N 0 3 288.391 2.550 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187926362 382299739 /nfs/dbraw/zinc/29/97/39/382299739.db2.gz JCAMEMRHSFYOKV-GUYCJALGSA-N 0 3 288.391 2.550 20 30 CFEDHN CN1CC[C@@H]2CCN(c3cc(C#N)c4ccccc4n3)[C@@H]2C1 ZINC000364988428 382359181 /nfs/dbraw/zinc/35/91/81/382359181.db2.gz OAODIZIBHYDTQC-CXAGYDPISA-N 0 3 292.386 2.637 20 30 CFEDHN COc1cc(CN2CCCO[C@@H](C(C)C)C2)ccc1C#N ZINC000294004847 382374592 /nfs/dbraw/zinc/37/45/92/382374592.db2.gz MKWWPULNVDZPRK-QGZVFWFLSA-N 0 3 288.391 2.814 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OCCC(C)C)cc1 ZINC000352465801 382347782 /nfs/dbraw/zinc/34/77/82/382347782.db2.gz OTLRQAHQQCJPFE-OAHLLOKOSA-N 0 3 263.381 2.748 20 30 CFEDHN CCCN(CCN(C)C)C(=O)c1cc(C#N)ccc1Cl ZINC000352633993 382425297 /nfs/dbraw/zinc/42/52/97/382425297.db2.gz VENGFSFRPOJBEK-UHFFFAOYSA-N 0 3 293.798 2.625 20 30 CFEDHN C=C(CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000294124204 382425462 /nfs/dbraw/zinc/42/54/62/382425462.db2.gz GMZWHVZLKKZMKF-HZPDHXFCSA-N 0 3 293.432 2.645 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cccs1 ZINC000346585755 382425756 /nfs/dbraw/zinc/42/57/56/382425756.db2.gz VTZPEVXLONFJGI-NWDGAFQWSA-N 0 3 291.420 2.740 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1cc(C#N)ccc1C ZINC000352648740 382432526 /nfs/dbraw/zinc/43/25/26/382432526.db2.gz URBNOTMYVADTLY-CQSZACIVSA-N 0 3 273.380 2.972 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000305687981 382441574 /nfs/dbraw/zinc/44/15/74/382441574.db2.gz AUELOPYURMZFRH-HNNXBMFYSA-N 0 3 277.795 2.927 20 30 CFEDHN C=CCOc1ccccc1CN(C)C[C@H]1CCC[C@H]1O ZINC000305746991 382445206 /nfs/dbraw/zinc/44/52/06/382445206.db2.gz RIUPHYUEPYMZIE-GDBMZVCRSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000346557388 382411590 /nfs/dbraw/zinc/41/15/90/382411590.db2.gz SJZHSQGDURKUSJ-KBPBESRZSA-N 0 3 296.480 2.627 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC000420591471 382413521 /nfs/dbraw/zinc/41/35/21/382413521.db2.gz YKBRLIZBCGLYTP-UKRRQHHQSA-N 0 3 293.374 2.596 20 30 CFEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)C[C@@H](C)O ZINC000304787902 382417503 /nfs/dbraw/zinc/41/75/03/382417503.db2.gz JCLRWVLDMCECJZ-CYBMUJFWSA-N 0 3 265.784 2.783 20 30 CFEDHN N#CCCCCN1CCC(O)(Cc2ccccc2F)CC1 ZINC000365841527 382452982 /nfs/dbraw/zinc/45/29/82/382452982.db2.gz ZBXYGGMLDWKVBD-UHFFFAOYSA-N 0 3 290.382 2.889 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)C2CCCC2)c(Cl)c1 ZINC000352708957 382454023 /nfs/dbraw/zinc/45/40/23/382454023.db2.gz YGJUCBBQRWGRTI-OAHLLOKOSA-N 0 3 278.783 2.852 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000358146145 382469522 /nfs/dbraw/zinc/46/95/22/382469522.db2.gz GXJAJEPEIZSZBP-OSMZGAPFSA-N 0 3 260.312 2.738 20 30 CFEDHN CCCN(CC#Cc1ccccc1)CCN1CCCC1 ZINC000352888609 382480123 /nfs/dbraw/zinc/48/01/23/382480123.db2.gz VQGCBYUOJYKYGH-UHFFFAOYSA-N 0 3 270.420 2.846 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC(C)(C)C)CC1 ZINC000358172227 382485123 /nfs/dbraw/zinc/48/51/23/382485123.db2.gz SORRNJUWCJUUHP-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN N#CCc1ccc(CN2CC[C@@H](COC(F)F)C2)cc1 ZINC000353026527 382489044 /nfs/dbraw/zinc/48/90/44/382489044.db2.gz WAANQIPFYABOGZ-CQSZACIVSA-N 0 3 280.318 2.814 20 30 CFEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1 ZINC000366496536 382521664 /nfs/dbraw/zinc/52/16/64/382521664.db2.gz OMOUAVIZKMDDMK-SJPCQFCGSA-N 0 3 273.351 2.555 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2ccc(C#N)cc2)c1 ZINC000189006992 382522635 /nfs/dbraw/zinc/52/26/35/382522635.db2.gz VSRDYLGVYCLOCJ-GOSISDBHSA-N 0 3 280.371 2.560 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)cc2F)c(C)o1 ZINC000346815894 382526949 /nfs/dbraw/zinc/52/69/49/382526949.db2.gz BYLXYXLPOAPMKN-UHFFFAOYSA-N 0 3 273.311 2.635 20 30 CFEDHN CC#CCCN(CC(=O)N1CCCCCC1)C(C)C ZINC000353205694 382527805 /nfs/dbraw/zinc/52/78/05/382527805.db2.gz VUVLDVSTKWVLND-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN CC[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](CC)O1 ZINC000420957713 382501045 /nfs/dbraw/zinc/50/10/45/382501045.db2.gz OQMJNVOMNMWVNF-HOTGVXAUSA-N 0 3 294.439 2.976 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420958991 382501219 /nfs/dbraw/zinc/50/12/19/382501219.db2.gz CSWKKMVBNDBUOH-DOTOQJQBSA-N 0 3 291.439 2.553 20 30 CFEDHN C=CC[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189031163 382528192 /nfs/dbraw/zinc/52/81/92/382528192.db2.gz JNDLHYSYIBWYRG-SJORKVTESA-N 0 3 286.419 2.899 20 30 CFEDHN CC1=CCN(CCN[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000358223395 382511909 /nfs/dbraw/zinc/51/19/09/382511909.db2.gz IPMWDGASTJQJPA-OAHLLOKOSA-N 0 3 269.392 2.861 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1 ZINC000421362040 382512954 /nfs/dbraw/zinc/51/29/54/382512954.db2.gz MFCFFIHCTDFGQJ-GDBMZVCRSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H](CO)C[C@H](C)C1 ZINC000421364347 382513049 /nfs/dbraw/zinc/51/30/49/382513049.db2.gz RTOXDTJSGWHVDO-LSDHHAIUSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@H](CO)C1 ZINC000312406116 382514345 /nfs/dbraw/zinc/51/43/45/382514345.db2.gz IJOWBCFHCZFRFA-GOEBONIOSA-N 0 3 275.392 2.892 20 30 CFEDHN C#CCCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000366897777 382553669 /nfs/dbraw/zinc/55/36/69/382553669.db2.gz XINGESZRIOAWTC-UHFFFAOYSA-N 0 3 281.359 2.939 20 30 CFEDHN CC(C#N)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000346908339 382567259 /nfs/dbraw/zinc/56/72/59/382567259.db2.gz KRBFBMZRHXPHHF-LLVKDONJSA-N 0 3 260.312 2.519 20 30 CFEDHN C[C@@H]1CN(C)C[C@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358331417 382572596 /nfs/dbraw/zinc/57/25/96/382572596.db2.gz SQBUZWLCVPMWRD-FVQBIDKESA-N 0 3 257.381 2.571 20 30 CFEDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000385644038 382573632 /nfs/dbraw/zinc/57/36/32/382573632.db2.gz KHTMQZGAIVQKFI-DZGCQCFKSA-N 0 3 278.783 2.804 20 30 CFEDHN C=CCC[C@@H](CO)NCc1sccc1Br ZINC000320310824 382537404 /nfs/dbraw/zinc/53/74/04/382537404.db2.gz UPKCNLVLPYKWLJ-VIFPVBQESA-N 0 3 290.226 2.927 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](Cc2ccccc2)C1 ZINC000358362326 382587466 /nfs/dbraw/zinc/58/74/66/382587466.db2.gz BZTLTAQPAYBXBW-NVXWUHKLSA-N 0 3 286.419 2.632 20 30 CFEDHN CC(C)CC[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000346966782 382590707 /nfs/dbraw/zinc/59/07/07/382590707.db2.gz JZSBOAYPGDRDMC-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN COc1cc(CN[C@@H]2CS[C@@H](C)C2)ccc1C#N ZINC000397951380 382635029 /nfs/dbraw/zinc/63/50/29/382635029.db2.gz ZUAYJKBYMLAVFY-GWCFXTLKSA-N 0 3 262.378 2.550 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000190981813 382687362 /nfs/dbraw/zinc/68/73/62/382687362.db2.gz ZEKHAFKYXCISLK-LZWOXQAQSA-N 0 3 266.429 2.825 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C)O1 ZINC000190486949 382670670 /nfs/dbraw/zinc/67/06/70/382670670.db2.gz CKJKOEVROHCZIF-WMLDXEAASA-N 0 3 288.391 2.574 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCSC[C@@H](C)C1 ZINC000190486647 382670755 /nfs/dbraw/zinc/67/07/55/382670755.db2.gz WGOYDZAGLUIJOV-LBPRGKRZSA-N 0 3 276.405 2.752 20 30 CFEDHN C[C@@H](C(=O)N1CCCCCC1)N1CCC(CCC#N)CC1 ZINC000399289505 382638238 /nfs/dbraw/zinc/63/82/38/382638238.db2.gz ACQAOWBBHXMASG-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN Cn1cc(CNCCOC2CCCCCC2)cc1C#N ZINC000191119794 382691819 /nfs/dbraw/zinc/69/18/19/382691819.db2.gz JWPXJLWEJYZKDN-UHFFFAOYSA-N 0 3 275.396 2.726 20 30 CFEDHN Cn1cc(CN[C@H](CCCO)c2ccccc2)cc1C#N ZINC000191177128 382694716 /nfs/dbraw/zinc/69/47/16/382694716.db2.gz BESJBYLWUYVSFP-QGZVFWFLSA-N 0 3 283.375 2.500 20 30 CFEDHN Cc1cccc(OCCN(C)Cc2cc(C#N)n(C)c2)c1 ZINC000191194590 382695219 /nfs/dbraw/zinc/69/52/19/382695219.db2.gz PSIABIRIOUSNSV-UHFFFAOYSA-N 0 3 283.375 2.716 20 30 CFEDHN Cc1ccccc1O[C@@H](C)CNCc1cc(C#N)n(C)c1 ZINC000191219751 382696063 /nfs/dbraw/zinc/69/60/63/382696063.db2.gz JUYXZRINOOKIHD-AWEZNQCLSA-N 0 3 283.375 2.762 20 30 CFEDHN C[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1n1ccnc1 ZINC000192119205 382705004 /nfs/dbraw/zinc/70/50/04/382705004.db2.gz ITWXGVFCVZMEHG-WMZOPIPTSA-N 0 3 279.387 2.818 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccnn1C)C(C)C ZINC000192656971 382711108 /nfs/dbraw/zinc/71/11/08/382711108.db2.gz HPEUVPXHZVKVLA-DOTOQJQBSA-N 0 3 290.455 2.769 20 30 CFEDHN C[C@@](O)(CN[C@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000192890962 382713322 /nfs/dbraw/zinc/71/33/22/382713322.db2.gz XNJPQVSXDDWFEN-FPMFFAJLSA-N 0 3 264.394 2.628 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000193677601 382722296 /nfs/dbraw/zinc/72/22/96/382722296.db2.gz FOHHWCFCENFLRE-HUUCEWRRSA-N 0 3 283.799 2.944 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCCc2ccccc2)C1=O ZINC000337135815 382766033 /nfs/dbraw/zinc/76/60/33/382766033.db2.gz MRIQUFNWFNZJJV-QGZVFWFLSA-N 0 3 286.419 2.728 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H](CC(C)C)C2)C1=O ZINC000337161977 382769627 /nfs/dbraw/zinc/76/96/27/382769627.db2.gz VDYMOFXSEKSZIR-LSDHHAIUSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@H]1CSCCN1CCCC1(C#N)CCOCC1 ZINC000337169968 382770815 /nfs/dbraw/zinc/77/08/15/382770815.db2.gz DUWLGOKCDLLSKH-ZDUSSCGKSA-N 0 3 268.426 2.524 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC2CCC(C)CC2)C1=O ZINC000337186277 382773202 /nfs/dbraw/zinc/77/32/02/382773202.db2.gz OURNHAVDZUNKEA-NRXISQOPSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C)C2CCC(C)(C)CC2)C1=O ZINC000337191415 382774041 /nfs/dbraw/zinc/77/40/41/382774041.db2.gz SMZKKLAJDFBMOJ-AWEZNQCLSA-N 0 3 264.413 2.674 20 30 CFEDHN N#CCCN(CCCC1(C#N)CCOCC1)CC1CC1 ZINC000337196568 382774775 /nfs/dbraw/zinc/77/47/75/382774775.db2.gz WMKATPDRWUUBRP-UHFFFAOYSA-N 0 3 275.396 2.713 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@]2(C)Cc2ccccc2)C1=O ZINC000337203725 382776400 /nfs/dbraw/zinc/77/64/00/382776400.db2.gz ICINRYCXKYFYCB-MJGOQNOKSA-N 0 3 298.430 2.871 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)c2c(C)cccc2C)C1=O ZINC000337206970 382777058 /nfs/dbraw/zinc/77/70/58/382777058.db2.gz NNKPAZUSZNWTJR-GJZGRUSLSA-N 0 3 272.392 2.741 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(CC)(CC)CC2)C1=O ZINC000337216833 382779199 /nfs/dbraw/zinc/77/91/99/382779199.db2.gz ZSLZTHBQTUFYHG-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H](CC)NC(=O)c1cccc(CN(C)C)c1 ZINC000337087880 382759792 /nfs/dbraw/zinc/75/97/92/382759792.db2.gz GOENFORMVKHEHR-HNNXBMFYSA-N 0 3 260.381 2.833 20 30 CFEDHN Cc1cnccc1CNCc1ccc(OCC#N)cc1 ZINC000228654936 382848437 /nfs/dbraw/zinc/84/84/37/382848437.db2.gz KCMAMEQHVWRGHW-UHFFFAOYSA-N 0 3 267.332 2.582 20 30 CFEDHN CC(C)(CCCO)CNCc1ccc(C#N)cc1F ZINC000221387131 382798503 /nfs/dbraw/zinc/79/85/03/382798503.db2.gz PZBURGCBWIKDSR-UHFFFAOYSA-N 0 3 264.344 2.586 20 30 CFEDHN COc1cc(CN[C@H]2CCC[C@H]2OC(F)F)ccc1C#N ZINC000337314521 382799821 /nfs/dbraw/zinc/79/98/21/382799821.db2.gz WQUYPQGUSKVCAG-QWHCGFSZSA-N 0 3 296.317 2.817 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337476920 382827804 /nfs/dbraw/zinc/82/78/04/382827804.db2.gz PGHYQYLGIRDIFP-ZIAGYGMSSA-N 0 3 277.412 2.833 20 30 CFEDHN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000227360928 382836911 /nfs/dbraw/zinc/83/69/11/382836911.db2.gz ZVEILANAHKRBLB-DLBZAZTESA-N 0 3 270.376 2.685 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)cc2F)cs1 ZINC000227595653 382838199 /nfs/dbraw/zinc/83/81/99/382838199.db2.gz YBYAMVNSFGNWOI-UHFFFAOYSA-N 0 3 275.352 2.795 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CCC1)C(C)C ZINC000337538236 382838792 /nfs/dbraw/zinc/83/87/92/382838792.db2.gz IDZLKUGKRIFCAD-OAHLLOKOSA-N 0 3 279.428 2.537 20 30 CFEDHN COc1ccc(CN2CCC[C@@](C)(OC)C2)cc1C#N ZINC000230265083 382858368 /nfs/dbraw/zinc/85/83/68/382858368.db2.gz DRETXFNRAHWGDQ-MRXNPFEDSA-N 0 3 274.364 2.568 20 30 CFEDHN COc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000232315502 382868456 /nfs/dbraw/zinc/86/84/56/382868456.db2.gz BEDNIZNKFRHYHT-GFCCVEGCSA-N 0 3 269.348 2.756 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCC2)c(F)c1 ZINC000337836454 382870445 /nfs/dbraw/zinc/87/04/45/382870445.db2.gz XTBVIEADIOVGLP-OAHLLOKOSA-N 0 3 276.355 2.728 20 30 CFEDHN Cc1cccc2oc(CCN[C@H]3CC[C@@H](C#N)C3)nc21 ZINC000577818797 382871705 /nfs/dbraw/zinc/87/17/05/382871705.db2.gz DIZFYSSZQZTUON-OLZOCXBDSA-N 0 3 269.348 2.961 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000233983026 382872407 /nfs/dbraw/zinc/87/24/07/382872407.db2.gz XXKOLQUUCIATKY-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN COc1cc(CN(C)CCc2ccncc2)ccc1C#N ZINC000234922745 382875372 /nfs/dbraw/zinc/87/53/72/382875372.db2.gz RLCIRLJUORARJF-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C[C@H](NCCCOC(F)F)c1ccc(C#N)cc1F ZINC000338008089 382899033 /nfs/dbraw/zinc/89/90/33/382899033.db2.gz ASGRQRLZVVEDBQ-VIFPVBQESA-N 0 3 272.270 2.977 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000338163020 382938236 /nfs/dbraw/zinc/93/82/36/382938236.db2.gz VCLMMMWDQRKXAJ-ZIAGYGMSSA-N 0 3 299.418 2.717 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000338162739 382938275 /nfs/dbraw/zinc/93/82/75/382938275.db2.gz RFSWAECTRKQXGF-CQSZACIVSA-N 0 3 299.418 2.717 20 30 CFEDHN CC[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC000578884077 382963901 /nfs/dbraw/zinc/96/39/01/382963901.db2.gz PIEQWJLIVNGEFD-AWEZNQCLSA-N 0 3 277.799 2.738 20 30 CFEDHN COc1cncc(/C=C\CCN2CCC(C#N)CC2)c1 ZINC000578645606 382941401 /nfs/dbraw/zinc/94/14/01/382941401.db2.gz RWEYOJPHJWCKCF-RQOWECAXSA-N 0 3 271.364 2.729 20 30 CFEDHN C[C@@H](C(=O)NCC1CCC(C#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000442984198 382964295 /nfs/dbraw/zinc/96/42/95/382964295.db2.gz RUTANAHZPMVXIH-OXLPJUHDSA-N 0 3 291.439 2.694 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(C#N)cn2)C1 ZINC000578761655 382952721 /nfs/dbraw/zinc/95/27/21/382952721.db2.gz LRUVBYOXGDDVJQ-DYVFJYSZSA-N 0 3 287.407 2.620 20 30 CFEDHN COC(=O)c1cccc(CN(C)[C@H](C)C(C)C)c1C#N ZINC000535222180 382953948 /nfs/dbraw/zinc/95/39/48/382953948.db2.gz WYLRIMPOTUIWOC-GFCCVEGCSA-N 0 3 274.364 2.821 20 30 CFEDHN N#CC(C(=O)c1cccc2c1CCCC2)c1ccncn1 ZINC000578837686 382959036 /nfs/dbraw/zinc/95/90/36/382959036.db2.gz UFUWVRGUMNMEGK-OAHLLOKOSA-N 0 3 277.327 2.845 20 30 CFEDHN CO[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000442855834 382961469 /nfs/dbraw/zinc/96/14/69/382961469.db2.gz KSGBZFZWVDRIIO-TUKIKUTGSA-N 0 3 262.328 2.795 20 30 CFEDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCCC#N)C1 ZINC000494455769 382913684 /nfs/dbraw/zinc/91/36/84/382913684.db2.gz SODGFHVKFYAYCJ-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C(C)C)CC1 ZINC000441487392 382917075 /nfs/dbraw/zinc/91/70/75/382917075.db2.gz OIIPMTMVDUITNU-OAHLLOKOSA-N 0 3 278.440 2.944 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000494687241 382919271 /nfs/dbraw/zinc/91/92/71/382919271.db2.gz DTYVYCAXOKGKEG-OWCLPIDISA-N 0 3 293.455 2.999 20 30 CFEDHN C[C@@]1(CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000545396661 382977836 /nfs/dbraw/zinc/97/78/36/382977836.db2.gz FRBPGCGPERLNCQ-HNNXBMFYSA-N 0 3 297.320 2.904 20 30 CFEDHN CCC[C@@]1(C(=O)OCC)CCCN1CCCSCC#N ZINC000444775450 382980688 /nfs/dbraw/zinc/98/06/88/382980688.db2.gz NHDIKLKDMOQHCX-HNNXBMFYSA-N 0 3 298.452 2.831 20 30 CFEDHN C=CCCC[C@H](C)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444794496 382982564 /nfs/dbraw/zinc/98/25/64/382982564.db2.gz KEFSCGZGOHPHTO-KBPBESRZSA-N 0 3 273.442 2.630 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@](C)(c2ccccc2)C1 ZINC000446712257 382990537 /nfs/dbraw/zinc/99/05/37/382990537.db2.gz QPILOWRWVRRGDN-LJQANCHMSA-N 0 3 298.430 2.851 20 30 CFEDHN CC(C)[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000446722349 382991478 /nfs/dbraw/zinc/99/14/78/382991478.db2.gz DZJHWJRWGYCZGI-INIZCTEOSA-N 0 3 299.418 2.911 20 30 CFEDHN C#CCCN1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000495654577 383007363 /nfs/dbraw/zinc/00/73/63/383007363.db2.gz FHMNDMQCYMFSKA-QGZVFWFLSA-N 0 3 292.423 2.733 20 30 CFEDHN C=CCN(C(=O)CNC(C)C)c1nc2c(s1)CCCC2 ZINC000579386652 383012298 /nfs/dbraw/zinc/01/22/98/383012298.db2.gz ZQUZUIIGBNEXFL-UHFFFAOYSA-N 0 3 293.436 2.539 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC(C)(C)C2)CC1 ZINC000443187293 382966596 /nfs/dbraw/zinc/96/65/96/382966596.db2.gz OFPAWBKFGIPXGI-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1CC(C)C ZINC000246473107 383078030 /nfs/dbraw/zinc/07/80/30/383078030.db2.gz GXMIPGCGYAGKJO-CVEARBPZSA-N 0 3 293.455 2.895 20 30 CFEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)cn1 ZINC000579609133 383035220 /nfs/dbraw/zinc/03/52/20/383035220.db2.gz OGSROKCADJUWGK-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C#CCCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000495892459 383039320 /nfs/dbraw/zinc/03/93/20/383039320.db2.gz MWLQVHZQAXAOFJ-HNNXBMFYSA-N 0 3 278.396 2.533 20 30 CFEDHN C=CCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496008161 383053691 /nfs/dbraw/zinc/05/36/91/383053691.db2.gz SSVKWMGLXFNQEF-GFCCVEGCSA-N 0 3 260.337 2.822 20 30 CFEDHN CC(C)(C)OC(=O)NC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000496253592 383079729 /nfs/dbraw/zinc/07/97/29/383079729.db2.gz KAKFUJDHSNXMBY-OCCSQVGLSA-N 0 3 293.411 2.668 20 30 CFEDHN C=CCN(Cc1ccccc1)CC1(C(=O)OC)CC1 ZINC000448523682 383062752 /nfs/dbraw/zinc/06/27/52/383062752.db2.gz AOFYPYAURORNSO-UHFFFAOYSA-N 0 3 259.349 2.628 20 30 CFEDHN CC(C)(C)OC(=O)NCC1(CN2CCC(C#N)CC2)CC1 ZINC000496186118 383073423 /nfs/dbraw/zinc/07/34/23/383073423.db2.gz MPLWVQAQHGCUOG-UHFFFAOYSA-N 0 3 293.411 2.527 20 30 CFEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN2CCC[C@H]2C1 ZINC000246393063 383075191 /nfs/dbraw/zinc/07/51/91/383075191.db2.gz CLIWPDZNXGNPCM-ZDUSSCGKSA-N 0 3 295.308 2.861 20 30 CFEDHN CN1CCN(Cc2ccc(N[C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000579550664 383027033 /nfs/dbraw/zinc/02/70/33/383027033.db2.gz MVWUSZUHDGMNCW-WMZOPIPTSA-N 0 3 298.434 2.538 20 30 CFEDHN Cc1cc(CNCc2ccccc2CO)ccc1C#N ZINC000579550899 383027050 /nfs/dbraw/zinc/02/70/50/383027050.db2.gz XKCBSMMBFNNZGL-UHFFFAOYSA-N 0 3 266.344 2.649 20 30 CFEDHN CC#CCN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496588073 383119423 /nfs/dbraw/zinc/11/94/23/383119423.db2.gz BYFQTSWVHMNZJY-CQSZACIVSA-N 0 3 280.412 2.637 20 30 CFEDHN C=C(C)CCN1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496691981 383123759 /nfs/dbraw/zinc/12/37/59/383123759.db2.gz BRJILTCXOPQPHB-AWEZNQCLSA-N 0 3 298.427 2.568 20 30 CFEDHN CC#CCN(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496765175 383124609 /nfs/dbraw/zinc/12/46/09/383124609.db2.gz VWCSMCVZGGQUCA-CQSZACIVSA-N 0 3 280.412 2.589 20 30 CFEDHN CC[C@H]1CN(C)CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000596436012 383126336 /nfs/dbraw/zinc/12/63/36/383126336.db2.gz HIXJRUBZQLLUKC-HNNXBMFYSA-N 0 3 286.379 2.506 20 30 CFEDHN N#CC[C@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000597905098 383128636 /nfs/dbraw/zinc/12/86/36/383128636.db2.gz MVXTWHMALMVHRF-IAGOWNOFSA-N 0 3 295.386 2.911 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC(Cc2cccs2)C1 ZINC000601961830 383130426 /nfs/dbraw/zinc/13/04/26/383130426.db2.gz ALZUBTJAQBCZDW-ZDUSSCGKSA-N 0 3 278.421 2.523 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000246997198 383130609 /nfs/dbraw/zinc/13/06/09/383130609.db2.gz YRTYKNGPZBDSGM-HOTGVXAUSA-N 0 3 276.424 2.698 20 30 CFEDHN CN(CCCN1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000497100032 383130705 /nfs/dbraw/zinc/13/07/05/383130705.db2.gz PVUYFKIFMSYZBH-UHFFFAOYSA-N 0 3 295.427 2.869 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554359917 383131739 /nfs/dbraw/zinc/13/17/39/383131739.db2.gz KCQNJCUFULUBFP-CABCVRRESA-N 0 3 273.380 2.635 20 30 CFEDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000554407040 383134100 /nfs/dbraw/zinc/13/41/00/383134100.db2.gz IWJMWEQSPIDHSF-SMDDNHRTSA-N 0 3 271.364 2.663 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)o1 ZINC000247056604 383136945 /nfs/dbraw/zinc/13/69/45/383136945.db2.gz VFNIGWLJUIRBTB-SUMWQHHRSA-N 0 3 285.391 2.600 20 30 CFEDHN C=CCCc1ccccc1N[C@H]1CCN(CCOC)C1 ZINC000502309674 383138316 /nfs/dbraw/zinc/13/83/16/383138316.db2.gz MOLQOFVTLAFRNO-INIZCTEOSA-N 0 3 274.408 2.938 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)Cc2cccc(OCCCC#N)c2)C1 ZINC000580801310 383081076 /nfs/dbraw/zinc/08/10/76/383081076.db2.gz YHVJLVNJFXUYCS-WOVMCDHWSA-N 0 3 288.391 2.978 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCCN(C)C(=O)OC(C)(C)C ZINC000496262319 383081116 /nfs/dbraw/zinc/08/11/16/383081116.db2.gz ISCBHKOJASHBAD-ZDUSSCGKSA-N 0 3 283.416 2.867 20 30 CFEDHN CCC(CC)CN(CCC#N)CCCC(=O)N(C)C ZINC000580960604 383082192 /nfs/dbraw/zinc/08/21/92/383082192.db2.gz SKSYLNZVKGQHGR-UHFFFAOYSA-N 0 3 267.417 2.507 20 30 CFEDHN CC(C)COC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338920738 383086147 /nfs/dbraw/zinc/08/61/47/383086147.db2.gz MHVZMALUHSDVMC-KBPBESRZSA-N 0 3 250.386 2.816 20 30 CFEDHN Cc1cc(NC(=O)c2ccc(C#N)o2)ccc1CN(C)C ZINC000458258393 383143952 /nfs/dbraw/zinc/14/39/52/383143952.db2.gz FKZRYFKFUGOHGG-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN C[C@](O)(CN[C@@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000553335928 383106707 /nfs/dbraw/zinc/10/67/07/383106707.db2.gz ZYKCOTGUMNVYLM-KGLIPLIRSA-N 0 3 298.308 2.839 20 30 CFEDHN C=CCOCCN1CCC(F)(c2cccnc2)CC1 ZINC000339169503 383173689 /nfs/dbraw/zinc/17/36/89/383173689.db2.gz VNRDHNLTDFWGIC-UHFFFAOYSA-N 0 3 264.344 2.545 20 30 CFEDHN CC1=C(c2ccco2)CN(CCOCCC#N)CC1 ZINC000339172313 383175135 /nfs/dbraw/zinc/17/51/35/383175135.db2.gz PROFIFZMZMKMHR-UHFFFAOYSA-N 0 3 260.337 2.689 20 30 CFEDHN CN1CC[C@H](CNCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566112937 383184114 /nfs/dbraw/zinc/18/41/14/383184114.db2.gz AGPKMXVPKDQDQL-IUODEOHRSA-N 0 3 295.789 2.975 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634456754 383198889 /nfs/dbraw/zinc/19/88/89/383198889.db2.gz KLVQHFMVNDAORQ-INIZCTEOSA-N 0 3 272.392 2.652 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000339458518 383204400 /nfs/dbraw/zinc/20/44/00/383204400.db2.gz SQRVSCVBOSOFIY-LLVKDONJSA-N 0 3 253.305 2.510 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000619755290 383147630 /nfs/dbraw/zinc/14/76/30/383147630.db2.gz VZPDFRROUFSORQ-YGRLFVJLSA-N 0 3 264.756 2.869 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508895389 383147716 /nfs/dbraw/zinc/14/77/16/383147716.db2.gz HGUDMWBNRJYVHY-HOCLYGCPSA-N 0 3 289.423 2.895 20 30 CFEDHN CN1CCN([C@H]2CC[C@H](C#N)C2)CC12CCCCC2 ZINC000514738198 383154837 /nfs/dbraw/zinc/15/48/37/383154837.db2.gz VPOLVROTHKOAMX-GJZGRUSLSA-N 0 3 261.413 2.629 20 30 CFEDHN CC#CCN[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000561749178 383155247 /nfs/dbraw/zinc/15/52/47/383155247.db2.gz SZKNICAGKPBQIT-CVEARBPZSA-N 0 3 257.377 2.983 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515073365 383157964 /nfs/dbraw/zinc/15/79/64/383157964.db2.gz PYLWSSLALOSQSV-NFAWXSAZSA-N 0 3 274.320 2.515 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000424618087 383211396 /nfs/dbraw/zinc/21/13/96/383211396.db2.gz QAMKSCSBDYJYOY-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000562698868 383161769 /nfs/dbraw/zinc/16/17/69/383161769.db2.gz FZADFILRRUCKLW-UHFFFAOYSA-N 0 3 274.412 2.765 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](O)Cc1ccc(F)cc1 ZINC000339135894 383162201 /nfs/dbraw/zinc/16/22/01/383162201.db2.gz WQYVCAAKQSMLHZ-HZPDHXFCSA-N 0 3 263.356 2.770 20 30 CFEDHN N#CCCCC(=O)N(CCN1CCCC1)c1ccccc1 ZINC000563758129 383167671 /nfs/dbraw/zinc/16/76/71/383167671.db2.gz IBBXMJMVMXMAEF-UHFFFAOYSA-N 0 3 285.391 2.809 20 30 CFEDHN CC[C@H](CO)N(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000449375588 383246611 /nfs/dbraw/zinc/24/66/11/383246611.db2.gz HSTQTYPYTNTBMS-GFCCVEGCSA-N 0 3 286.297 2.780 20 30 CFEDHN N#CCCC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000520575519 383264294 /nfs/dbraw/zinc/26/42/94/383264294.db2.gz RJFJYUGGIKZLNH-UHFFFAOYSA-N 0 3 296.308 2.919 20 30 CFEDHN CC#CCN1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000566828379 383215813 /nfs/dbraw/zinc/21/58/13/383215813.db2.gz NELWPPLKBLKRBL-MRXNPFEDSA-N 0 3 257.377 2.973 20 30 CFEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@H]2CCCO[C@H]21 ZINC000339500745 383218501 /nfs/dbraw/zinc/21/85/01/383218501.db2.gz ADNWTEHUYDEPAO-BZUAXINKSA-N 0 3 270.376 2.851 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000424655385 383222218 /nfs/dbraw/zinc/22/22/18/383222218.db2.gz WGDAUYPCEYILRY-KGLIPLIRSA-N 0 3 282.403 2.671 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1CCCC[C@H]1CC ZINC000424669830 383225857 /nfs/dbraw/zinc/22/58/57/383225857.db2.gz TVYVCSWIBTWNPF-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)C2CCCCC2)c(F)c1 ZINC000339512950 383226407 /nfs/dbraw/zinc/22/64/07/383226407.db2.gz ZUPXTUTYTSLPNI-INIZCTEOSA-N 0 3 290.382 2.976 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000519614994 383231004 /nfs/dbraw/zinc/23/10/04/383231004.db2.gz PJNWRHNLNKCVFL-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCOc1ccccc1CNCCc1nccnc1C ZINC000339530633 383234841 /nfs/dbraw/zinc/23/48/41/383234841.db2.gz JNUWEJCJDDWLOX-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000339820791 383329918 /nfs/dbraw/zinc/32/99/18/383329918.db2.gz LQMGMLXJAKCOBA-HZPDHXFCSA-N 0 3 296.455 2.546 20 30 CFEDHN CC(C)OC1CC(N(C)Cc2ccc(C#N)cc2)C1 ZINC000459282006 383283377 /nfs/dbraw/zinc/28/33/77/383283377.db2.gz CNKVEZFFAGXSFE-UHFFFAOYSA-N 0 3 258.365 2.946 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339678428 383284353 /nfs/dbraw/zinc/28/43/53/383284353.db2.gz MLKJXLAWBIRMJH-HNNXBMFYSA-N 0 3 264.413 2.533 20 30 CFEDHN Cn1cc(CN2CC[C@@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000449429019 383289454 /nfs/dbraw/zinc/28/94/54/383289454.db2.gz SVNVJSOYJWWYGN-QGZVFWFLSA-N 0 3 292.386 2.943 20 30 CFEDHN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000248819327 383293080 /nfs/dbraw/zinc/29/30/80/383293080.db2.gz IXNXKSYGVHBMKY-RDBSUJKOSA-N 0 3 278.396 2.590 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000339720199 383297316 /nfs/dbraw/zinc/29/73/16/383297316.db2.gz PZPYILPWTAKPKW-CABCVRRESA-N 0 3 276.424 2.698 20 30 CFEDHN CC#CCN(C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000339760974 383307905 /nfs/dbraw/zinc/30/79/05/383307905.db2.gz YNMASEAOUIQDSB-ZDUSSCGKSA-N 0 3 285.309 2.564 20 30 CFEDHN C=C(C)CCNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000449478172 383319361 /nfs/dbraw/zinc/31/93/61/383319361.db2.gz RBLCXBNEGDBHGK-UHFFFAOYSA-N 0 3 279.453 2.965 20 30 CFEDHN CC(C)[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000522005947 383321701 /nfs/dbraw/zinc/32/17/01/383321701.db2.gz IZJIQRNYNKNKHC-CYBMUJFWSA-N 0 3 273.336 2.944 20 30 CFEDHN C=CC(C)(C)CNCc1cc2c(cc1OC)OCO2 ZINC000449485224 383324798 /nfs/dbraw/zinc/32/47/98/383324798.db2.gz LILZDGNKQYPVLZ-UHFFFAOYSA-N 0 3 263.337 2.726 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000425125468 383326780 /nfs/dbraw/zinc/32/67/80/383326780.db2.gz GLTYNQZAIMWPKR-ZNMIVQPWSA-N 0 3 299.418 2.950 20 30 CFEDHN C[C@H](CNc1ncc2c(c1C#N)CCC2)N1CCCC[C@@H]1C ZINC000568385078 383396657 /nfs/dbraw/zinc/39/66/57/383396657.db2.gz IPORFXSKGHDGIG-UONOGXRCSA-N 0 3 298.434 2.539 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(C)CCC1)C(C)C ZINC000426266562 383397012 /nfs/dbraw/zinc/39/70/12/383397012.db2.gz YSIJQDSEHMGXIM-HNNXBMFYSA-N 0 3 278.440 2.991 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(C#N)s1 ZINC000252000486 383402487 /nfs/dbraw/zinc/40/24/87/383402487.db2.gz WPKZWAMYULNKLF-FTYKPCCVSA-N 0 3 262.378 2.838 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc(-n2cncn2)cc1 ZINC000426563349 383405681 /nfs/dbraw/zinc/40/56/81/383405681.db2.gz WTYUSXIMANHBLO-OAHLLOKOSA-N 0 3 268.364 2.808 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccncc2)s1 ZINC000449521932 383353080 /nfs/dbraw/zinc/35/30/80/383353080.db2.gz TZCNOUUKFITPKM-KGLIPLIRSA-N 0 3 287.388 2.638 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000449547608 383354689 /nfs/dbraw/zinc/35/46/89/383354689.db2.gz IZQWUFIKGKXOAB-KGLIPLIRSA-N 0 3 253.292 2.788 20 30 CFEDHN C[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000249738607 383359300 /nfs/dbraw/zinc/35/93/00/383359300.db2.gz HKYTZDFVYQITEJ-QLFBSQMISA-N 0 3 299.418 2.778 20 30 CFEDHN C=CCC[C@@H](CO)NCc1nc2ccc(Cl)cc2n1C ZINC000449694930 383360658 /nfs/dbraw/zinc/36/06/58/383360658.db2.gz CWQJPERBJHYYIH-LBPRGKRZSA-N 0 3 293.798 2.643 20 30 CFEDHN C=C(CC)CNCc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000449729330 383362798 /nfs/dbraw/zinc/36/27/98/383362798.db2.gz ALXHWLKPYPXEJE-CYBMUJFWSA-N 0 3 277.364 2.683 20 30 CFEDHN N#CCCCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000449843876 383367203 /nfs/dbraw/zinc/36/72/03/383367203.db2.gz JKMIUEHTKKLLSU-OAHLLOKOSA-N 0 3 277.412 2.594 20 30 CFEDHN CO[C@@H](CN(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000425393624 383377488 /nfs/dbraw/zinc/37/74/88/383377488.db2.gz CWAFSDALSWXEDE-KRWDZBQOSA-N 0 3 270.376 2.948 20 30 CFEDHN C=CCC1(C(=O)N(C)CCN(C)C)CCCCC1 ZINC000450019042 383377585 /nfs/dbraw/zinc/37/75/85/383377585.db2.gz ATDPMAUKTGTENY-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=C(C)COc1cc(CN2C[C@@H](O)C[C@H]2C)ccc1OC ZINC000471802621 383378813 /nfs/dbraw/zinc/37/88/13/383378813.db2.gz DCHGQMJILYQJMU-HIFRSBDPSA-N 0 3 291.391 2.605 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000471881023 383379833 /nfs/dbraw/zinc/37/98/33/383379833.db2.gz RMSUGNFVSICLEC-TTZDDIAXSA-N 0 3 297.402 2.635 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1cscc1C#N ZINC000340330426 383414819 /nfs/dbraw/zinc/41/48/19/383414819.db2.gz ZROQPABILIXAGW-ZDUSSCGKSA-N 0 3 291.420 2.614 20 30 CFEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CC(C)(C)C#N ZINC000425601462 383386713 /nfs/dbraw/zinc/38/67/13/383386713.db2.gz GJEMIFNZABXION-HNNXBMFYSA-N 0 3 299.418 2.836 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1 ZINC000450272294 383388136 /nfs/dbraw/zinc/38/81/36/383388136.db2.gz WVELNOWMOBSKPJ-LRDDRELGSA-N 0 3 271.364 2.545 20 30 CFEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000340490663 383440933 /nfs/dbraw/zinc/44/09/33/383440933.db2.gz OOLKUGURVXCWFX-BMIGLBTASA-N 0 3 262.328 2.773 20 30 CFEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000340490669 383441068 /nfs/dbraw/zinc/44/10/68/383441068.db2.gz OOLKUGURVXCWFX-ZUZCIYMTSA-N 0 3 262.328 2.773 20 30 CFEDHN CCCN1CCC[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450535891 383451126 /nfs/dbraw/zinc/45/11/26/383451126.db2.gz QMHWRCLMMFSZAF-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@](O)(CC)C2)cc1OC ZINC000428419863 383468098 /nfs/dbraw/zinc/46/80/98/383468098.db2.gz GIYMKTMVXQOQCL-QGZVFWFLSA-N 0 3 291.391 2.607 20 30 CFEDHN Cc1cnccc1CCN(C)Cc1ccc(C#N)cc1 ZINC000569236071 383480338 /nfs/dbraw/zinc/48/03/38/383480338.db2.gz BWYKSUKMEQZCBY-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN CCC(CC)CN(CCC#N)C[C@@H]1CCNC(=O)CC1 ZINC000450461610 383419920 /nfs/dbraw/zinc/41/99/20/383419920.db2.gz BRQMJZIDVORTMZ-HNNXBMFYSA-N 0 3 279.428 2.555 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(Oc2ccccc2F)c1 ZINC000428031602 383420389 /nfs/dbraw/zinc/42/03/89/383420389.db2.gz LTFCSYNDKASWAL-LLVKDONJSA-N 0 3 299.305 2.789 20 30 CFEDHN C=C(C)CNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000428109077 383421577 /nfs/dbraw/zinc/42/15/77/383421577.db2.gz VZJJOHAGAMYBJX-UHFFFAOYSA-N 0 3 272.392 2.977 20 30 CFEDHN C[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429569577 383547916 /nfs/dbraw/zinc/54/79/16/383547916.db2.gz TZMWQZFKWSMXJR-SWLSCSKDSA-N 0 3 271.364 2.617 20 30 CFEDHN Cc1c(C#N)c(N[C@H]2CCN(C)[C@H](C)C2)nc2ccccc12 ZINC000569917522 383549435 /nfs/dbraw/zinc/54/94/35/383549435.db2.gz BFQDJJKQDGMWIZ-OCCSQVGLSA-N 0 3 294.402 2.731 20 30 CFEDHN CC(C)[C@@H]1CN(CC#Cc2ccccc2Cl)CCN1C ZINC000488021447 383489417 /nfs/dbraw/zinc/48/94/17/383489417.db2.gz DNPDTOMNZLSRHP-KRWDZBQOSA-N 0 3 290.838 2.964 20 30 CFEDHN CS[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@H]1N(C)C ZINC000340757696 383493221 /nfs/dbraw/zinc/49/32/21/383493221.db2.gz ZSZPROFMZMOADV-CHWSQXEVSA-N 0 3 295.839 2.693 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000428636499 383498054 /nfs/dbraw/zinc/49/80/54/383498054.db2.gz ADAZSCJAKATRBL-GOEBONIOSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C(C)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000428636500 383498216 /nfs/dbraw/zinc/49/82/16/383498216.db2.gz ADAZSCJAKATRBL-HOCLYGCPSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C(CC)CN1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428795890 383499215 /nfs/dbraw/zinc/49/92/15/383499215.db2.gz UCENHIYOEVBGIZ-QGZVFWFLSA-N 0 3 273.376 2.769 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000528396975 383518900 /nfs/dbraw/zinc/51/89/00/383518900.db2.gz QFUNWVGKDJOXJV-BMFZPTHFSA-N 0 3 270.376 2.734 20 30 CFEDHN CC[C@H]1CN(C)CCN1CC#Cc1ccccc1Cl ZINC000569805099 383538699 /nfs/dbraw/zinc/53/86/99/383538699.db2.gz CTBVZBDATRGWFP-HNNXBMFYSA-N 0 3 276.811 2.718 20 30 CFEDHN C=CCN(CCc1ccccc1)Cc1cnc(N)s1 ZINC000261867944 383572647 /nfs/dbraw/zinc/57/26/47/383572647.db2.gz OFZXEYFLJFNBPI-UHFFFAOYSA-N 0 3 273.405 2.956 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000429871120 383574981 /nfs/dbraw/zinc/57/49/81/383574981.db2.gz UQGXBPKAQPRAIU-UONOGXRCSA-N 0 3 266.429 2.968 20 30 CFEDHN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341130233 383576790 /nfs/dbraw/zinc/57/67/90/383576790.db2.gz AJKFABQNDOWFQL-CQSZACIVSA-N 0 3 293.370 2.525 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(CC#N)CC1 ZINC000430001994 383581370 /nfs/dbraw/zinc/58/13/70/383581370.db2.gz FJWAXDFIESEUQQ-UHFFFAOYSA-N 0 3 259.309 2.687 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCc1cccc(C#N)c1F ZINC000570215325 383582793 /nfs/dbraw/zinc/58/27/93/383582793.db2.gz HNFQYHIAWJXUKY-SMDDNHRTSA-N 0 3 264.344 2.584 20 30 CFEDHN COc1ccccc1/C=C/CNCC1(CC#N)CC1 ZINC000430016809 383582866 /nfs/dbraw/zinc/58/28/66/383582866.db2.gz BCFPZQBNPQYPFJ-GQCTYLIASA-N 0 3 256.349 2.992 20 30 CFEDHN COc1ccccc1-n1nccc1CNCC1(CC#N)CC1 ZINC000430036709 383584944 /nfs/dbraw/zinc/58/49/44/383584944.db2.gz PVZQBMNQOBSKMS-UHFFFAOYSA-N 0 3 296.374 2.664 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(F)cc1 ZINC000429698468 383560343 /nfs/dbraw/zinc/56/03/43/383560343.db2.gz CCSDLUSQBHPIHL-UHFFFAOYSA-N 0 3 250.361 2.765 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncccc1C#N ZINC000341100797 383565206 /nfs/dbraw/zinc/56/52/06/383565206.db2.gz LGDDNFMVKHNMNV-CHWSQXEVSA-N 0 3 258.369 2.628 20 30 CFEDHN CC(C)N1CC[C@H](N(C)c2nccc(C#N)c2Cl)C1 ZINC000450959833 383568840 /nfs/dbraw/zinc/56/88/40/383568840.db2.gz ZBIMWEZFZJDTJH-LBPRGKRZSA-N 0 3 278.787 2.526 20 30 CFEDHN C[C@H]1C[C@H]1N1CCN(c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000488719426 383568956 /nfs/dbraw/zinc/56/89/56/383568956.db2.gz YERCDNDOWWPFMB-IIYDPXPESA-N 0 3 287.382 2.864 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C[C@@H]1C[C@@H]1C)C(C)C ZINC000570975458 383652097 /nfs/dbraw/zinc/65/20/97/383652097.db2.gz FABFDFLPFSVFDE-HRCADAONSA-N 0 3 278.440 2.847 20 30 CFEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(C)cn1 ZINC000489505039 383626041 /nfs/dbraw/zinc/62/60/41/383626041.db2.gz BJMUDJBMJFDYCQ-AWEZNQCLSA-N 0 3 273.380 2.759 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1cc(C#N)cs1)C1CC1 ZINC000414505819 533006831 /nfs/dbraw/zinc/00/68/31/533006831.db2.gz VKSUVAYZIQZLIQ-YGRLFVJLSA-N 0 3 264.394 2.913 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCc1ccccn1 ZINC000433122524 383754860 /nfs/dbraw/zinc/75/48/60/383754860.db2.gz QYDJDVATJCCQRM-INIZCTEOSA-N 0 3 293.370 2.513 20 30 CFEDHN CCN(C(=O)/C=C/CN(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000264614598 383762308 /nfs/dbraw/zinc/76/23/08/383762308.db2.gz JGDRFRACWIMYCR-UZYOAWRESA-N 0 3 285.391 2.586 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530021868 383763267 /nfs/dbraw/zinc/76/32/67/383763267.db2.gz ADZAICOJFPGAOZ-INIZCTEOSA-N 0 3 297.402 2.613 20 30 CFEDHN CC[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)N(CC)CC ZINC000434447866 383768411 /nfs/dbraw/zinc/76/84/11/383768411.db2.gz FDEPTTPFLPVDCH-KGLIPLIRSA-N 0 3 279.428 2.648 20 30 CFEDHN CC[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)N(CC)CC ZINC000434447865 383768565 /nfs/dbraw/zinc/76/85/65/383768565.db2.gz FDEPTTPFLPVDCH-KBPBESRZSA-N 0 3 279.428 2.648 20 30 CFEDHN CC(C#N)C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000434566291 383769872 /nfs/dbraw/zinc/76/98/72/383769872.db2.gz MSLRJSDVVPYWKQ-LBPRGKRZSA-N 0 3 299.399 2.704 20 30 CFEDHN CC(C)OC1CCN(CCOc2ccccc2C#N)CC1 ZINC000530925993 383803954 /nfs/dbraw/zinc/80/39/54/383803954.db2.gz RXZZARBIXSPZFU-UHFFFAOYSA-N 0 3 288.391 2.826 20 30 CFEDHN CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000572733494 383811731 /nfs/dbraw/zinc/81/17/31/383811731.db2.gz CCOQAYAOVGWBQV-HOTGVXAUSA-N 0 3 299.418 2.563 20 30 CFEDHN CC(C)[C@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000436485574 383823141 /nfs/dbraw/zinc/82/31/41/383823141.db2.gz PDOBDBHXPURYQS-QGZVFWFLSA-N 0 3 290.838 2.964 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000435972536 383782338 /nfs/dbraw/zinc/78/23/38/383782338.db2.gz QPJKRKHIWDLXDF-UBHAPETDSA-N 0 3 293.164 2.581 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000264802706 383784596 /nfs/dbraw/zinc/78/45/96/383784596.db2.gz ULXIXEHBKIJRRO-SXSDINLZSA-N 0 3 297.402 2.562 20 30 CFEDHN CC(C)OC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000530686619 383784775 /nfs/dbraw/zinc/78/47/75/383784775.db2.gz HNMGQISQBCPSPQ-UHFFFAOYSA-N 0 3 258.365 2.948 20 30 CFEDHN C[C@H](CCCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000453282069 383835512 /nfs/dbraw/zinc/83/55/12/383835512.db2.gz TXYOUDUHUGIFAU-NEPJUHHUSA-N 0 3 264.344 2.757 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(C)C#N)C1 ZINC000531294305 383844822 /nfs/dbraw/zinc/84/48/22/383844822.db2.gz YKSULMKODOLIIF-BFHYXJOUSA-N 0 3 256.349 2.859 20 30 CFEDHN C#CCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000191983215 533016335 /nfs/dbraw/zinc/01/63/35/533016335.db2.gz YPUSMGLFRRMRBZ-MRXNPFEDSA-N 0 3 272.392 2.517 20 30 CFEDHN Cc1ccc(CCNCc2cc(C#N)cs2)nc1 ZINC000453593665 383865086 /nfs/dbraw/zinc/86/50/86/383865086.db2.gz AYNVHNYCOKWEHQ-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3oc(C)nc32)CC1 ZINC000280994504 195061404 /nfs/dbraw/zinc/06/14/04/195061404.db2.gz TYXCNOBEZYCEOA-UHFFFAOYSA-N 0 3 299.374 2.516 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)C1(CO)CCCC1 ZINC000453597604 383867568 /nfs/dbraw/zinc/86/75/68/383867568.db2.gz CSPWSNXAMPSIHE-OAHLLOKOSA-N 0 3 276.380 2.818 20 30 CFEDHN C#CCCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000192065687 533013902 /nfs/dbraw/zinc/01/39/02/533013902.db2.gz ABCWOSHUQHASAQ-UHFFFAOYSA-N 0 3 298.430 2.743 20 30 CFEDHN N#CCCCN(CCCO)[C@H]1CCc2ccccc21 ZINC000265259745 383876190 /nfs/dbraw/zinc/87/61/90/383876190.db2.gz VBLCBRLNKGFKBN-INIZCTEOSA-N 0 3 258.365 2.662 20 30 CFEDHN C[C@@H](NCCC(C)(C)CO)c1ccc(C#N)cc1F ZINC000453283536 383835220 /nfs/dbraw/zinc/83/52/20/383835220.db2.gz VORVHXWBBAXYGX-LLVKDONJSA-N 0 3 264.344 2.757 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000437616075 383907170 /nfs/dbraw/zinc/90/71/70/383907170.db2.gz KFYTWZIVLJXTDD-BFYDXBDKSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000265431099 383914477 /nfs/dbraw/zinc/91/44/77/383914477.db2.gz FUHRYQQVVSHHGR-OAHLLOKOSA-N 0 3 258.365 2.516 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)C1CCC(OC)CC1 ZINC000437899914 383917974 /nfs/dbraw/zinc/91/79/74/383917974.db2.gz WBBOGGZPIAEAJC-UHFFFAOYSA-N 0 3 288.391 2.956 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000414499109 533018442 /nfs/dbraw/zinc/01/84/42/533018442.db2.gz JKGNFADZROTDET-HZMBPMFUSA-N 0 3 264.394 2.913 20 30 CFEDHN CC[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N(CC)CC ZINC000265473235 383925445 /nfs/dbraw/zinc/92/54/45/383925445.db2.gz SJKIDDCNHCDGSM-XJKSGUPXSA-N 0 3 287.407 2.856 20 30 CFEDHN N#CCCCN(CCO)[C@H]1CCCc2ccccc21 ZINC000265275176 383883161 /nfs/dbraw/zinc/88/31/61/383883161.db2.gz XYUYMOPRLICNTE-INIZCTEOSA-N 0 3 258.365 2.662 20 30 CFEDHN C=CCN1CC[C@@H](NC2(c3ccc(C)cc3)CCC2)C1=O ZINC000646130278 383885563 /nfs/dbraw/zinc/88/55/63/383885563.db2.gz MVRSVHZCKYXFMW-MRXNPFEDSA-N 0 3 284.403 2.751 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(C)c2C)CC1 ZINC000265312924 383891267 /nfs/dbraw/zinc/89/12/67/383891267.db2.gz UBGPCJBMQKJTGH-INIZCTEOSA-N 0 3 298.430 2.826 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000265334571 383897171 /nfs/dbraw/zinc/89/71/71/383897171.db2.gz NPGKDCNNMYJCIO-HNNXBMFYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000646154457 383900083 /nfs/dbraw/zinc/90/00/83/383900083.db2.gz TYTSGGSGXLACEM-HBNTYKKESA-N 0 3 251.292 2.634 20 30 CFEDHN Cc1ccc([C@@H](CNc2nc(C)cc(C#N)n2)N(C)C)cc1 ZINC000281038118 195078725 /nfs/dbraw/zinc/07/87/25/195078725.db2.gz VETSFWIRDJBESJ-MRXNPFEDSA-N 0 3 295.390 2.680 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000637321125 384026744 /nfs/dbraw/zinc/02/67/44/384026744.db2.gz FJSGGGWLYAVNTJ-UONOGXRCSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCCN1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000265833369 384011109 /nfs/dbraw/zinc/01/11/09/384011109.db2.gz UZOMCMIFIPTLKA-UHFFFAOYSA-N 0 3 271.364 2.834 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000439255067 384033920 /nfs/dbraw/zinc/03/39/20/384033920.db2.gz FWYBVHUUFGLILF-SHTZXODSSA-N 0 3 277.795 2.927 20 30 CFEDHN Cc1cc([C@](C)(O)CNCc2ccc(C#N)cc2)c(C)o1 ZINC000266137256 384089869 /nfs/dbraw/zinc/08/98/69/384089869.db2.gz FVZUMIFRPAABRO-QGZVFWFLSA-N 0 3 284.359 2.765 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637471566 384077945 /nfs/dbraw/zinc/07/79/45/384077945.db2.gz VXENNPNMPHQVED-ZBFHGGJFSA-N 0 3 291.439 2.753 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637472512 384079378 /nfs/dbraw/zinc/07/93/78/384079378.db2.gz KGAMTOBEKGRGFY-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN CCCC(O)(CCC)CNCc1ccc(C#N)o1 ZINC000266171575 384103745 /nfs/dbraw/zinc/10/37/45/384103745.db2.gz RKNQEWFXEBMFCU-UHFFFAOYSA-N 0 3 250.342 2.572 20 30 CFEDHN COc1cc(CN[C@H]2Cc3cccc(O)c3C2)ccc1C#N ZINC000440624088 384115675 /nfs/dbraw/zinc/11/56/75/384115675.db2.gz YAMSUVRCSQCWPH-HNNXBMFYSA-N 0 3 294.354 2.529 20 30 CFEDHN COc1cc(CNC[C@@H](C)C(F)(F)F)ccc1C#N ZINC000440624029 384116165 /nfs/dbraw/zinc/11/61/65/384116165.db2.gz IJSSNFIUKZQLCN-SECBINFHSA-N 0 3 272.270 2.855 20 30 CFEDHN C#CCOc1ccccc1CNCC(C)(C)C[C@H](C)O ZINC000266141185 384092802 /nfs/dbraw/zinc/09/28/02/384092802.db2.gz HIAMVNVKBMMCGL-AWEZNQCLSA-N 0 3 275.392 2.585 20 30 CFEDHN COc1ccc(CN[C@H]2CCCC[C@@H]2OC)cc1C#N ZINC000266149699 384094442 /nfs/dbraw/zinc/09/44/42/384094442.db2.gz JZSYHZWLYLBURB-HOCLYGCPSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCN1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000266331858 384150790 /nfs/dbraw/zinc/15/07/90/384150790.db2.gz GYZKCCAJMDKWLG-UHFFFAOYSA-N 0 3 259.328 2.760 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000637623947 384140706 /nfs/dbraw/zinc/14/07/06/384140706.db2.gz RJCXAIMVJWNVFN-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C#CCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000268697087 533045144 /nfs/dbraw/zinc/04/51/44/533045144.db2.gz IYYPNYKABKBAGL-AWEZNQCLSA-N 0 3 258.365 2.749 20 30 CFEDHN CN1CCN(CCCSCC#N)Cc2ccccc21 ZINC000266743774 384231123 /nfs/dbraw/zinc/23/11/23/384231123.db2.gz OSFGIDTWSSWZRZ-UHFFFAOYSA-N 0 3 275.421 2.585 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@]1(OC)CCOC1 ZINC000637872431 384238691 /nfs/dbraw/zinc/23/86/91/384238691.db2.gz ZBOCXPMPYPWGQY-CQSZACIVSA-N 0 3 267.394 2.542 20 30 CFEDHN CC(C)C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266701617 384222808 /nfs/dbraw/zinc/22/28/08/384222808.db2.gz FLPQMHLEZOAFFJ-QGZVFWFLSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCN1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266939046 384265967 /nfs/dbraw/zinc/26/59/67/384265967.db2.gz ALOGFEFXLLORPY-UHFFFAOYSA-N 0 3 275.352 2.966 20 30 CFEDHN C#CCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000277369391 384281760 /nfs/dbraw/zinc/28/17/60/384281760.db2.gz BKXCSFRPOQJEMO-QGZVFWFLSA-N 0 3 284.403 2.523 20 30 CFEDHN C#CCCOc1ccc(CNCc2ccn(C)c2)cc1 ZINC000267119505 384303164 /nfs/dbraw/zinc/30/31/64/384303164.db2.gz TUOKTYHHURVJAY-UHFFFAOYSA-N 0 3 268.360 2.717 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc(OC2CCCC2)c1 ZINC000641768902 384335311 /nfs/dbraw/zinc/33/53/11/384335311.db2.gz LFYCQGZZJHMQGQ-INIZCTEOSA-N 0 3 287.403 2.872 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(OCCCC)cc1 ZINC000641769029 384335414 /nfs/dbraw/zinc/33/54/14/384335414.db2.gz OFBAHUMWZGPUOL-MRXNPFEDSA-N 0 3 275.392 2.729 20 30 CFEDHN C[C@@H]1CN(CCCNc2ccc(C#N)cc2F)CCCO1 ZINC000277585760 384345693 /nfs/dbraw/zinc/34/56/93/384345693.db2.gz CDFFDIFHUXPHJR-CYBMUJFWSA-N 0 3 291.370 2.610 20 30 CFEDHN C#CCC(CC#C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000277660887 384368758 /nfs/dbraw/zinc/36/87/58/384368758.db2.gz LNTQYOHMVKJUJF-UHFFFAOYSA-N 0 3 282.387 2.658 20 30 CFEDHN CC#CC[C@@H](CO)NC/C(C)=C/c1ccccc1COC ZINC000641766703 384331856 /nfs/dbraw/zinc/33/18/56/384331856.db2.gz APPPFHITGCPJQV-OTMARIDSSA-N 0 3 287.403 2.600 20 30 CFEDHN CC#CC[C@H](CO)NC/C(C)=C/c1ccccc1COC ZINC000641766702 384332340 /nfs/dbraw/zinc/33/23/40/384332340.db2.gz APPPFHITGCPJQV-HAZIXKIPSA-N 0 3 287.403 2.600 20 30 CFEDHN CC#CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000277551596 384334458 /nfs/dbraw/zinc/33/44/58/384334458.db2.gz WEYDSSYSOALCSB-KRWDZBQOSA-N 0 3 284.403 2.599 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(CCC)s1 ZINC000641768150 384334892 /nfs/dbraw/zinc/33/48/92/384334892.db2.gz XMMBKCYDIIHSHL-GFCCVEGCSA-N 0 3 251.395 2.565 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccccc1C(F)(F)F ZINC000641768984 384334919 /nfs/dbraw/zinc/33/49/19/384334919.db2.gz NCXOXJFAMHEJDD-GFCCVEGCSA-N 0 3 271.282 2.569 20 30 CFEDHN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)cn1 ZINC000267445441 384394532 /nfs/dbraw/zinc/39/45/32/384394532.db2.gz ZSMNUCAYRNDKKU-HNNXBMFYSA-N 0 3 282.347 2.795 20 30 CFEDHN C=CCN(CCC(C)(C)O)Cc1cccc(C#N)c1 ZINC000267405968 384382025 /nfs/dbraw/zinc/38/20/25/384382025.db2.gz JRWYULWAIRQISF-UHFFFAOYSA-N 0 3 258.365 2.707 20 30 CFEDHN C=CCN1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000267683912 384443048 /nfs/dbraw/zinc/44/30/48/384443048.db2.gz GVKNMZVTFMCMMN-CYBMUJFWSA-N 0 3 295.452 2.544 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1ccc(CO)o1)C(C)C ZINC000267862885 384480320 /nfs/dbraw/zinc/48/03/20/384480320.db2.gz JFIYPBOAROZTHU-QGZVFWFLSA-N 0 3 292.423 2.560 20 30 CFEDHN C=CCN1CCC(Nc2ccnc(Cl)c2)CC1 ZINC000268147751 384544862 /nfs/dbraw/zinc/54/48/62/384544862.db2.gz DNOSVYTTWQDOAW-UHFFFAOYSA-N 0 3 251.761 2.797 20 30 CFEDHN C[C@@]1(NCc2ccc(F)c(C#N)c2)CCO[C@H]1C1CC1 ZINC000374633573 220324661 /nfs/dbraw/zinc/32/46/61/220324661.db2.gz WFPYSVVCDXNBPQ-JKSUJKDBSA-N 0 3 274.339 2.745 20 30 CFEDHN CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccc(C#N)cc1 ZINC000278360909 384540199 /nfs/dbraw/zinc/54/01/99/384540199.db2.gz BIOICMIGEBQKBC-HZPDHXFCSA-N 0 3 295.390 2.514 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000268229537 384573039 /nfs/dbraw/zinc/57/30/39/384573039.db2.gz UAAPSKVIIKKKQD-INIZCTEOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000268249250 384579968 /nfs/dbraw/zinc/57/99/68/384579968.db2.gz ZDLZCDULUJBALA-HNNXBMFYSA-N 0 3 266.429 2.847 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)C1CCC(CO)CC1 ZINC000268340013 384608611 /nfs/dbraw/zinc/60/86/11/384608611.db2.gz OOWJVOKRHCQRGX-UHFFFAOYSA-N 0 3 276.355 2.680 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)c1ncccc1C#N ZINC000268366845 384615286 /nfs/dbraw/zinc/61/52/86/384615286.db2.gz XWZWFNNCEXTFBC-UHFFFAOYSA-N 0 3 280.375 2.521 20 30 CFEDHN C=CC(C)(C)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000638454247 384672653 /nfs/dbraw/zinc/67/26/53/384672653.db2.gz FGDFWMYLXDEDAO-UHFFFAOYSA-N 0 3 258.365 2.622 20 30 CFEDHN CC[C@@H](NCc1ccc(C)n(C)c1=O)c1ccc(C#N)cc1 ZINC000279488862 384653381 /nfs/dbraw/zinc/65/33/81/384653381.db2.gz LNZKMGGPQPJXDG-QGZVFWFLSA-N 0 3 295.386 2.806 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000638472741 384684115 /nfs/dbraw/zinc/68/41/15/384684115.db2.gz VZOZJEGCHIJPSJ-ZFWWWQNUSA-N 0 3 258.365 2.501 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000279722415 384736233 /nfs/dbraw/zinc/73/62/33/384736233.db2.gz MJUGQUZWTNYGLN-HZPDHXFCSA-N 0 3 288.391 2.668 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCc3ccccc3C2)nn1 ZINC000643902064 384786575 /nfs/dbraw/zinc/78/65/75/384786575.db2.gz NEPJBJYEAFKXFP-INIZCTEOSA-N 0 3 282.391 2.501 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1NCC1(C)C ZINC000643983586 384802841 /nfs/dbraw/zinc/80/28/41/384802841.db2.gz IFODPGMEYVRJNZ-GFCCVEGCSA-N 0 3 298.839 2.914 20 30 CFEDHN C#Cc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1 ZINC000289290288 197286232 /nfs/dbraw/zinc/28/62/32/197286232.db2.gz POJRPQLIOCHZFU-CABCVRRESA-N 0 3 284.403 2.547 20 30 CFEDHN C=CCN1CCC(Nc2ccc(OC(F)F)cn2)CC1 ZINC000269926919 384906717 /nfs/dbraw/zinc/90/67/17/384906717.db2.gz CBJSQERWDOYCNX-UHFFFAOYSA-N 0 3 283.322 2.745 20 30 CFEDHN CN(C)CCN(Cc1ccccc1F)c1cccc(C#N)n1 ZINC000270054491 384960408 /nfs/dbraw/zinc/96/04/08/384960408.db2.gz NIMFWUVBBFCBKN-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)CC(F)(F)F)cc1 ZINC000644644899 384974152 /nfs/dbraw/zinc/97/41/52/384974152.db2.gz XQSHICAOTIYOKU-GFCCVEGCSA-N 0 3 289.297 2.654 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000289266804 197280162 /nfs/dbraw/zinc/28/01/62/197280162.db2.gz NBAWSIHPTYUGHA-QAPCUYQASA-N 0 3 279.387 2.948 20 30 CFEDHN C[C@@H](C(=O)N1CCc2ccc(C#N)cc21)N1[C@H](C)CC[C@H]1C ZINC000270195656 385011497 /nfs/dbraw/zinc/01/14/97/385011497.db2.gz DIPRNTZEUOWNTF-MCIONIFRSA-N 0 3 297.402 2.709 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(CC)n1 ZINC000280552994 385059476 /nfs/dbraw/zinc/05/94/76/385059476.db2.gz FALBZXBVNOQMAL-RISCZKNCSA-N 0 3 266.410 2.776 20 30 CFEDHN CC1=C(C)CN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000280496812 385035030 /nfs/dbraw/zinc/03/50/30/385035030.db2.gz BRPMLIHDZUFOHT-MRXNPFEDSA-N 0 3 256.349 2.634 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc2c1OCCO2 ZINC000280699557 385118353 /nfs/dbraw/zinc/11/83/53/385118353.db2.gz SHDBBESYGHUCPE-GDBMZVCRSA-N 0 3 289.375 2.529 20 30 CFEDHN CC(C)(C)[C@H]1C[C@H](NCc2ccc(C#N)o2)CCO1 ZINC000270650496 385177164 /nfs/dbraw/zinc/17/71/64/385177164.db2.gz LTGDKNZVYLRHIS-BXUZGUMPSA-N 0 3 262.353 2.835 20 30 CFEDHN C=CCOCCN1CCCO[C@H](c2ccccc2)C1 ZINC000645083113 385179770 /nfs/dbraw/zinc/17/97/70/385179770.db2.gz CAZDCZCHQJDAPH-INIZCTEOSA-N 0 3 261.365 2.653 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000336597745 533108963 /nfs/dbraw/zinc/10/89/63/533108963.db2.gz HCRVADANMUKAKT-QMMMGPOBSA-N 0 3 299.143 2.706 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000335974694 533110063 /nfs/dbraw/zinc/11/00/63/533110063.db2.gz VYJOYLYHNYKTMI-FZMZJTMJSA-N 0 3 260.312 2.519 20 30 CFEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccccc1CC ZINC000289083196 197230452 /nfs/dbraw/zinc/23/04/52/197230452.db2.gz BABGEEWEJYYLMK-OLZOCXBDSA-N 0 3 258.365 2.577 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282453449 385315277 /nfs/dbraw/zinc/31/52/77/385315277.db2.gz VELRRDALFHUKPU-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000271058548 385323035 /nfs/dbraw/zinc/32/30/35/385323035.db2.gz RWYWSHSCJNWLMI-JKSUJKDBSA-N 0 3 288.391 2.692 20 30 CFEDHN COc1cc(CN2CC[C@@H](OC)C[C@@H]2C)ccc1C#N ZINC000282328256 385283917 /nfs/dbraw/zinc/28/39/17/385283917.db2.gz OASBZTGMFPXCMN-SWLSCSKDSA-N 0 3 274.364 2.566 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000347030990 533116034 /nfs/dbraw/zinc/11/60/34/533116034.db2.gz DBYKNOHNKIEEDP-UWVGGRQHSA-N 0 3 295.180 2.656 20 30 CFEDHN N#Cc1c(Cl)nsc1N[C@@H]1CCN2CCCC[C@H]12 ZINC000271313254 385379933 /nfs/dbraw/zinc/37/99/33/385379933.db2.gz NBYZZHWBOSNLMN-NXEZZACHSA-N 0 3 282.800 2.707 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000347125559 533117962 /nfs/dbraw/zinc/11/79/62/533117962.db2.gz PNFPIJAEPKQRHN-HZMBPMFUSA-N 0 3 260.312 2.943 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000347103426 533116558 /nfs/dbraw/zinc/11/65/58/533116558.db2.gz JIKLWVDHGPHIPW-FZMZJTMJSA-N 0 3 292.354 2.895 20 30 CFEDHN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271957575 385411618 /nfs/dbraw/zinc/41/16/18/385411618.db2.gz QMQDFQSMWVLJPC-JMSVASOKSA-N 0 3 292.354 2.542 20 30 CFEDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271969397 385414461 /nfs/dbraw/zinc/41/44/61/385414461.db2.gz UFICATVVHWAHGY-XCJKDKRRSA-N 0 3 282.384 2.505 20 30 CFEDHN CC(C)C[C@@H]1C[C@H](NCc2ccc(C#N)o2)CCO1 ZINC000271973507 385415887 /nfs/dbraw/zinc/41/58/87/385415887.db2.gz IITCNJFMDWIWSI-IUODEOHRSA-N 0 3 262.353 2.835 20 30 CFEDHN C[C@H](NC[C@H]1CCCCO1)c1ccc(C#N)c(F)c1 ZINC000271990898 385421346 /nfs/dbraw/zinc/42/13/46/385421346.db2.gz ZERJNVXSTFWDEY-SMDDNHRTSA-N 0 3 262.328 2.917 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnc(CCOC)s2)C1 ZINC000639348529 385471692 /nfs/dbraw/zinc/47/16/92/385471692.db2.gz RKASWXYDUISZAX-LBPRGKRZSA-N 0 3 266.410 2.730 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnc(CCOC)s2)C1 ZINC000639348528 385472125 /nfs/dbraw/zinc/47/21/25/385472125.db2.gz RKASWXYDUISZAX-GFCCVEGCSA-N 0 3 266.410 2.730 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCCc3occc3C2)cc1 ZINC000288867380 197182764 /nfs/dbraw/zinc/18/27/64/197182764.db2.gz QETBLKNBRWGAMO-INIZCTEOSA-N 0 3 282.343 2.633 20 30 CFEDHN C#CCCOc1ccc(CNC2(COC)CCC2)cc1 ZINC000284174365 385543743 /nfs/dbraw/zinc/54/37/43/385543743.db2.gz XFXKFTMTJZYFDI-UHFFFAOYSA-N 0 3 273.376 2.747 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)C[C@H]1CCCC[C@@H]1O ZINC000272606283 385574680 /nfs/dbraw/zinc/57/46/80/385574680.db2.gz WCEOECUMPFWFRP-ZBFHGGJFSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCC[C@H](NC[C@@]1(O)CCSC1)c1ccco1 ZINC000286339378 385594154 /nfs/dbraw/zinc/59/41/54/385594154.db2.gz YFUCFWOEOYIKQW-JSGCOSHPSA-N 0 3 267.394 2.745 20 30 CFEDHN CCCN(CCN1CCCC1)c1nc(Cl)c(C#N)s1 ZINC000286369703 385599986 /nfs/dbraw/zinc/59/99/86/385599986.db2.gz NPUQJFKRJNEJTB-UHFFFAOYSA-N 0 3 298.843 2.980 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccccc1Cl ZINC000286374340 385600965 /nfs/dbraw/zinc/60/09/65/385600965.db2.gz YWMLMLUJBUVSQF-CYBMUJFWSA-N 0 3 251.757 2.717 20 30 CFEDHN CCCN(CCN1CCCCC1)c1ccc(C#N)cn1 ZINC000286260395 385579672 /nfs/dbraw/zinc/57/96/72/385579672.db2.gz FMZQYTSDQSZZGY-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281195004 195143912 /nfs/dbraw/zinc/14/39/12/195143912.db2.gz IQYYKYYUXXPXRP-CJNGLKHVSA-N 0 3 290.382 2.648 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272658228 385583864 /nfs/dbraw/zinc/58/38/64/385583864.db2.gz GWWDFFZLCOBHHN-ZDUSSCGKSA-N 0 3 298.390 2.639 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)c2ccc(F)cc2)C1=O ZINC000281195010 195144613 /nfs/dbraw/zinc/14/46/13/195144613.db2.gz IQYYKYYUXXPXRP-XJKSGUPXSA-N 0 3 290.382 2.648 20 30 CFEDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000286301306 385585563 /nfs/dbraw/zinc/58/55/63/385585563.db2.gz VROGPLVPEJHMCH-HIFRSBDPSA-N 0 3 271.364 2.665 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCN(CCOC)C1)c1ccco1 ZINC000286303765 385585862 /nfs/dbraw/zinc/58/58/62/385585862.db2.gz WVRGSUFDXURRAS-CABCVRRESA-N 0 3 278.396 2.597 20 30 CFEDHN CN1CC[C@@H](Nc2cc(C#N)ccn2)[C@@H]1c1ccccc1 ZINC000286420138 385615617 /nfs/dbraw/zinc/61/56/17/385615617.db2.gz HFQSYMQDZPBCKM-WBVHZDCISA-N 0 3 278.359 2.811 20 30 CFEDHN C#CCCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000272795835 385618237 /nfs/dbraw/zinc/61/82/37/385618237.db2.gz CXCONVFWEBBMRE-HNNXBMFYSA-N 0 3 259.349 2.682 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](C)CCc1ccc(C)cc1 ZINC000272802395 385619533 /nfs/dbraw/zinc/61/95/33/385619533.db2.gz BQDMZCRNOOPZOT-OAHLLOKOSA-N 0 3 295.448 2.507 20 30 CFEDHN N#Cc1sc(NC2CCN(CC3CC3)CC2)nc1Cl ZINC000286433720 385619734 /nfs/dbraw/zinc/61/97/34/385619734.db2.gz QCWCWMMKZCWKKX-UHFFFAOYSA-N 0 3 296.827 2.954 20 30 CFEDHN N#Cc1ccc(OCCN2CCCc3occc3C2)cc1 ZINC000288693843 197146058 /nfs/dbraw/zinc/14/60/58/197146058.db2.gz DJTLFUCERDUOQZ-UHFFFAOYSA-N 0 3 282.343 2.978 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2cc(C)ccn2)CC1 ZINC000272945969 385663247 /nfs/dbraw/zinc/66/32/47/385663247.db2.gz LUKPBWQYPHCYJU-HNNXBMFYSA-N 0 3 290.407 2.560 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000273328853 385677063 /nfs/dbraw/zinc/67/70/63/385677063.db2.gz QROAJJNUYKHWJF-SJORKVTESA-N 0 3 297.402 2.681 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(C#N)ccn1 ZINC000286807946 385714755 /nfs/dbraw/zinc/71/47/55/385714755.db2.gz KYANFMUIUQJXGX-YOEHRIQHSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@H](Nc1ccc(Cl)c(C#N)n1)C1=CCN(C)CC1 ZINC000272958209 385666490 /nfs/dbraw/zinc/66/64/90/385666490.db2.gz NGKBQWDYEMUCJQ-JTQLQIEISA-N 0 3 276.771 2.669 20 30 CFEDHN C=CCOCCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917860 385770220 /nfs/dbraw/zinc/77/02/20/385770220.db2.gz IJVGEANPYQALOY-CYBMUJFWSA-N 0 3 289.297 2.531 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc(C#N)cn1 ZINC000274135988 385725073 /nfs/dbraw/zinc/72/50/73/385725073.db2.gz FWLUZVBSEZGUBU-WMLDXEAASA-N 0 3 292.386 2.886 20 30 CFEDHN C=C(C)[C@H](NC[C@H](O)COCC)c1ccc(F)c(F)c1 ZINC000274899021 385893306 /nfs/dbraw/zinc/89/33/06/385893306.db2.gz RZJVXNWQGBKVLI-WFASDCNBSA-N 0 3 285.334 2.569 20 30 CFEDHN C=C(C)CCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000274788143 385870877 /nfs/dbraw/zinc/87/08/77/385870877.db2.gz NBKWDNBWLADDQA-QGZVFWFLSA-N 0 3 251.395 2.822 20 30 CFEDHN C=C(C)CCN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000274814559 385876650 /nfs/dbraw/zinc/87/66/50/385876650.db2.gz IQINQGUEOCNKGJ-ZDUSSCGKSA-N 0 3 296.436 2.554 20 30 CFEDHN C[C@@H](NCc1ccc(Cl)cc1C#N)[C@@H]1CCOC1 ZINC000274825834 385879312 /nfs/dbraw/zinc/87/93/12/385879312.db2.gz KUNPUZQBHWFKAF-ZYHUDNBSSA-N 0 3 264.756 2.726 20 30 CFEDHN C=CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276935129 386085649 /nfs/dbraw/zinc/08/56/49/386085649.db2.gz BFXPZXQTOOZMLK-OCCSQVGLSA-N 0 3 282.746 2.527 20 30 CFEDHN CN(C)[C@@H](CNc1ccnc(C#N)c1)c1cccc(F)c1 ZINC000287173405 196795050 /nfs/dbraw/zinc/79/50/50/196795050.db2.gz ZBHCPDWIVGWEKZ-INIZCTEOSA-N 0 3 284.338 2.807 20 30 CFEDHN CC1(C#N)CCN(CCOCCOc2ccccc2)CC1 ZINC000356462747 260005780 /nfs/dbraw/zinc/00/57/80/260005780.db2.gz UXMJNNYYGUMVCV-UHFFFAOYSA-N 0 3 288.391 2.708 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccsc2)C[C@H]1C ZINC000364633547 262255799 /nfs/dbraw/zinc/25/57/99/262255799.db2.gz RDPPBZZBLXVEHH-MBNYWOFBSA-N 0 3 278.421 2.617 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000367873174 260041812 /nfs/dbraw/zinc/04/18/12/260041812.db2.gz DVEOFDSWCMROJL-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN FC(F)[C@@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000682531352 542563625 /nfs/dbraw/zinc/56/36/25/542563625.db2.gz CQBLRYFUGOOMNP-SSDOTTSWSA-N 0 3 297.214 2.788 20 30 CFEDHN COc1cc(CNC[C@]2(C)CCCC[C@H]2O)ccc1C#N ZINC000281757203 195367798 /nfs/dbraw/zinc/36/77/98/195367798.db2.gz RLORXTIXGHUHFD-SJORKVTESA-N 0 3 288.391 2.598 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000347101166 533236382 /nfs/dbraw/zinc/23/63/82/533236382.db2.gz GQFZONKGQMYFOF-VHSXEESVSA-N 0 3 286.360 2.542 20 30 CFEDHN C=CCOCCNCc1ccc(OCC2CC2)cc1 ZINC000682943020 542613628 /nfs/dbraw/zinc/61/36/28/542613628.db2.gz MDMUCCZHTHXUEF-UHFFFAOYSA-N 0 3 261.365 2.768 20 30 CFEDHN N#Cc1cc(CN2CCCCC[C@H]2CCO)ccc1F ZINC000342022845 130204842 /nfs/dbraw/zinc/20/48/42/130204842.db2.gz PXZUNIJTBQRUEV-HNNXBMFYSA-N 0 3 276.355 2.824 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000683036860 542632960 /nfs/dbraw/zinc/63/29/60/542632960.db2.gz PNDBVOXGVIAZOV-WDEREUQCSA-N 0 3 265.319 2.834 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000683036857 542633105 /nfs/dbraw/zinc/63/31/05/542633105.db2.gz PNDBVOXGVIAZOV-GHMZBOCLSA-N 0 3 265.319 2.834 20 30 CFEDHN C=CCN(CCOC)CCOc1cc(C)cc(C)c1 ZINC000683041503 542633936 /nfs/dbraw/zinc/63/39/36/542633936.db2.gz YKPGYDFTDUMTNW-UHFFFAOYSA-N 0 3 263.381 2.817 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000192078246 130365832 /nfs/dbraw/zinc/36/58/32/130365832.db2.gz MVPCRPQGWXRDPG-KRWDZBQOSA-N 0 3 286.419 2.989 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1c(C#N)nnc2ccccc21 ZINC000265785534 131636542 /nfs/dbraw/zinc/63/65/42/131636542.db2.gz AEUORACBIALXJI-CYBMUJFWSA-N 0 3 295.390 2.788 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(Cl)c1OCC ZINC000683775017 542722659 /nfs/dbraw/zinc/72/26/59/542722659.db2.gz RJLBZUANUIDTRB-LBPRGKRZSA-N 0 3 269.772 2.765 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(F)(c2ccccc2)CC1 ZINC000683997159 542755348 /nfs/dbraw/zinc/75/53/48/542755348.db2.gz GCVRRFOAFONWKB-HNNXBMFYSA-N 0 3 263.356 2.884 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000684093866 542764342 /nfs/dbraw/zinc/76/43/42/542764342.db2.gz DNFCNJKXXWOUOF-OIISXLGYSA-N 0 3 275.392 2.681 20 30 CFEDHN C[C@H](NCCCCC#N)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178645095 393446561 /nfs/dbraw/zinc/44/65/61/393446561.db2.gz PQLKQSQKSYOJDG-NSHDSACASA-N 0 3 298.383 2.574 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2CCOC2)ccc1OC ZINC000178994639 393451045 /nfs/dbraw/zinc/45/10/45/393451045.db2.gz FUKJWQFGCLKCIN-CQSZACIVSA-N 0 3 277.364 2.529 20 30 CFEDHN CC#CCN1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000372646391 393454359 /nfs/dbraw/zinc/45/43/59/393454359.db2.gz YIJZOVVNFRLCSO-CQSZACIVSA-N 0 3 253.349 2.697 20 30 CFEDHN CC[C@H]1CN(CCCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000373806224 393473421 /nfs/dbraw/zinc/47/34/21/393473421.db2.gz RBPFQRFYCYKZMX-GOEBONIOSA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973419 393477530 /nfs/dbraw/zinc/47/75/30/393477530.db2.gz BMNMIZSJMJEZNZ-BFYDXBDKSA-N 0 3 294.439 2.975 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)Nc2cc(C3CC3)ccn2)CCN1C ZINC000329524821 393541715 /nfs/dbraw/zinc/54/17/15/393541715.db2.gz QPTPAYOJTCVUNE-BXUZGUMPSA-N 0 3 288.395 2.768 20 30 CFEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186191781 393541760 /nfs/dbraw/zinc/54/17/60/393541760.db2.gz NBORKGSDVKTXBM-KRWDZBQOSA-N 0 3 299.418 2.605 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000374178829 393487793 /nfs/dbraw/zinc/48/77/93/393487793.db2.gz QGRBSXDCLNMWQE-GOEBONIOSA-N 0 3 272.392 2.557 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)CCCSC ZINC000305935395 393504220 /nfs/dbraw/zinc/50/42/20/393504220.db2.gz FBNPJBLJXCRKBY-UHFFFAOYSA-N 0 3 264.394 2.752 20 30 CFEDHN Cc1cc(NCCN(C)Cc2ccccc2)cc(C#N)n1 ZINC000308278976 393516218 /nfs/dbraw/zinc/51/62/18/393516218.db2.gz VQJSGLILQLHWSX-UHFFFAOYSA-N 0 3 280.375 2.806 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](c1nc(C)cs1)C1CC1 ZINC000183560640 393521068 /nfs/dbraw/zinc/52/10/68/393521068.db2.gz HQEVRRMRZVCOQI-CHWSQXEVSA-N 0 3 266.410 2.819 20 30 CFEDHN C=CCN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183499748 393521289 /nfs/dbraw/zinc/52/12/89/393521289.db2.gz ILGAGVPUVYATAV-CYBMUJFWSA-N 0 3 260.381 2.693 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OCCC)c(OC)c1 ZINC000184276634 393526398 /nfs/dbraw/zinc/52/63/98/393526398.db2.gz QIWVYGFLELGKGQ-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](CC)c1nc(C)cs1 ZINC000184435015 393529325 /nfs/dbraw/zinc/52/93/25/393529325.db2.gz OWPSOMRFVYOFQF-RYUDHWBXSA-N 0 3 254.399 2.819 20 30 CFEDHN O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC000330145267 393551468 /nfs/dbraw/zinc/55/14/68/393551468.db2.gz HHCWSACAALHOEZ-QLFBSQMISA-N 0 3 280.412 2.653 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000380962992 393559022 /nfs/dbraw/zinc/55/90/22/393559022.db2.gz XIKYKAVYOJBRIJ-DLBZAZTESA-N 0 3 299.418 2.565 20 30 CFEDHN N#Cc1ccc([C@H](N[C@@H]2CCC[C@H]3OCC[C@H]32)C(N)=O)cc1 ZINC000331795209 393557319 /nfs/dbraw/zinc/55/73/19/393557319.db2.gz IQHFUTRXJRQSPF-JJXSEGSLSA-N 0 3 299.374 2.682 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CCC1)C(C)C ZINC000046049348 393575238 /nfs/dbraw/zinc/57/52/38/393575238.db2.gz HIYQCTZFUZQZKA-OAHLLOKOSA-N 0 3 264.413 2.601 20 30 CFEDHN Cc1ccccc1C[C@@H](CO)NCc1cccc(C#N)c1 ZINC000188918241 393568934 /nfs/dbraw/zinc/56/89/34/393568934.db2.gz IBKVQCAWBCYMFO-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccccc1Cl ZINC000192922025 393638135 /nfs/dbraw/zinc/63/81/35/393638135.db2.gz YFCNOTPLWAWLSE-CYBMUJFWSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(C)nc1C ZINC000411640623 393733581 /nfs/dbraw/zinc/73/35/81/393733581.db2.gz KXSUSBDPDOWCJX-UHFFFAOYSA-N 0 3 261.413 2.638 20 30 CFEDHN COC[C@H](NCCC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000411660497 393736197 /nfs/dbraw/zinc/73/61/97/393736197.db2.gz ALSUSYCXVXWPIS-LSDHHAIUSA-N 0 3 280.412 2.634 20 30 CFEDHN CC(C)N(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000085862134 393753506 /nfs/dbraw/zinc/75/35/06/393753506.db2.gz YVYKPWZXGLCDTI-UHFFFAOYSA-N 0 3 285.309 2.760 20 30 CFEDHN CC(C#N)C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000335741137 393697281 /nfs/dbraw/zinc/69/72/81/393697281.db2.gz FPBJKSXTEHWHSP-LBPRGKRZSA-N 0 3 280.327 2.991 20 30 CFEDHN CC1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000335763166 393699489 /nfs/dbraw/zinc/69/94/89/393699489.db2.gz ZBIJUBGNXGWDMC-MRXNPFEDSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)C(C)(C)C1 ZINC000335944475 393710071 /nfs/dbraw/zinc/71/00/71/393710071.db2.gz GJFDDSJFRVFVIF-LBPRGKRZSA-N 0 3 268.364 2.826 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412563458 393770074 /nfs/dbraw/zinc/77/00/74/393770074.db2.gz ZWBMPZBENXBUJI-GFCCVEGCSA-N 0 3 294.370 2.807 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cscc1C#N ZINC000340044587 393835442 /nfs/dbraw/zinc/83/54/42/393835442.db2.gz FFFCPVUANSWORH-TXEJJXNPSA-N 0 3 291.420 2.612 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(CC2CC2)CC1 ZINC000338174588 393776817 /nfs/dbraw/zinc/77/68/17/393776817.db2.gz PSSPNZRLZBCBHB-UHFFFAOYSA-N 0 3 286.419 2.779 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(NC3CC3)ncn2)CC1 ZINC000413125006 393779474 /nfs/dbraw/zinc/77/94/74/393779474.db2.gz HAAHAXOAPDGQDG-UHFFFAOYSA-N 0 3 287.411 2.503 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2F)CC1 ZINC000413230116 393780210 /nfs/dbraw/zinc/78/02/10/393780210.db2.gz DLZMNTWDWOCUKD-HUUCEWRRSA-N 0 3 297.418 2.607 20 30 CFEDHN C=C(C)CCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338317867 393781779 /nfs/dbraw/zinc/78/17/79/393781779.db2.gz XAOYVZSMRWREHB-UHFFFAOYSA-N 0 3 280.437 2.961 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000338338789 393781916 /nfs/dbraw/zinc/78/19/16/393781916.db2.gz ANTHGUIFDKRUIK-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1ccncc1F ZINC000338341090 393781951 /nfs/dbraw/zinc/78/19/51/393781951.db2.gz DFAWJMMQBNTOSF-ZDUSSCGKSA-N 0 3 291.370 2.972 20 30 CFEDHN C=CCCCCCN1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000338350507 393782907 /nfs/dbraw/zinc/78/29/07/393782907.db2.gz JQBSOZRRLRVEIR-FXUDXRNXSA-N 0 3 295.423 2.916 20 30 CFEDHN CC(C)[C@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000338534367 393789537 /nfs/dbraw/zinc/78/95/37/393789537.db2.gz DJVNTDFFODZQIY-INIZCTEOSA-N 0 3 285.391 2.560 20 30 CFEDHN C[C@H](c1ccco1)N(CCC(=O)N(C)CCC#N)C1CC1 ZINC000092805652 393791054 /nfs/dbraw/zinc/79/10/54/393791054.db2.gz OOKWBKINJFWXEM-CYBMUJFWSA-N 0 3 289.379 2.567 20 30 CFEDHN C=CCCN1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000338571726 393792534 /nfs/dbraw/zinc/79/25/34/393792534.db2.gz YJIXVPGZKVFYHU-UHFFFAOYSA-N 0 3 288.420 2.698 20 30 CFEDHN C=CCOCC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000339054362 393813889 /nfs/dbraw/zinc/81/38/89/393813889.db2.gz KIUKRJIRFLHTBI-HNNXBMFYSA-N 0 3 298.390 2.811 20 30 CFEDHN C=CCOCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000339054362 393813894 /nfs/dbraw/zinc/81/38/94/393813894.db2.gz KIUKRJIRFLHTBI-HNNXBMFYSA-N 0 3 298.390 2.811 20 30 CFEDHN Cc1nccn1-c1ccc([C@H](C)NCCOCCC#N)cc1 ZINC000339070648 393815469 /nfs/dbraw/zinc/81/54/69/393815469.db2.gz CPFAHZPUBICPON-AWEZNQCLSA-N 0 3 298.390 2.762 20 30 CFEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1c(C)nn(C)c1C ZINC000339086144 393816858 /nfs/dbraw/zinc/81/68/58/393816858.db2.gz YGBUGTVMKLQAMM-MJBXVCDLSA-N 0 3 260.385 2.770 20 30 CFEDHN C=CCOCCN1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000339087807 393818334 /nfs/dbraw/zinc/81/83/34/393818334.db2.gz JXEXTYLLEPKSSH-GOSISDBHSA-N 0 3 288.435 2.785 20 30 CFEDHN C=C(C)CN(CC)C(=O)c1ccccc1CN(C)C ZINC000345521420 393910598 /nfs/dbraw/zinc/91/05/98/393910598.db2.gz IDMIXKVUAOXZLD-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN CN(C(=O)c1cc(C#N)cs1)C(C)(C)CN1CCCC1 ZINC000416108059 393873136 /nfs/dbraw/zinc/87/31/36/393873136.db2.gz PHMFHRZACPLRBB-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000342984423 393876373 /nfs/dbraw/zinc/87/63/73/393876373.db2.gz ASCIHPUYHSEBTI-CABCVRRESA-N 0 3 281.444 2.905 20 30 CFEDHN CN(CC1(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000343316583 393883750 /nfs/dbraw/zinc/88/37/50/393883750.db2.gz SXGTXNMHLYYGMW-KRWDZBQOSA-N 0 3 283.419 2.887 20 30 CFEDHN CCCN(CC1(C#N)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000343318632 393883760 /nfs/dbraw/zinc/88/37/60/393883760.db2.gz YOUBAZYGGJNUPD-MJBXVCDLSA-N 0 3 262.397 2.816 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nccc(C#N)c1Cl ZINC000343616055 393889095 /nfs/dbraw/zinc/88/90/95/393889095.db2.gz UCSDGOSWXDJMNF-DGCLKSJQSA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@@H]1CN(C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427020168 393891311 /nfs/dbraw/zinc/89/13/11/393891311.db2.gz OYFWMKJORKTRFA-CYBMUJFWSA-N 0 3 296.336 2.693 20 30 CFEDHN C=CCOCC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000427491833 393892941 /nfs/dbraw/zinc/89/29/41/393892941.db2.gz ARNZBTXPGLBEPJ-UHFFFAOYSA-N 0 3 288.391 2.732 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C2CC2)C1 ZINC000344007830 393893085 /nfs/dbraw/zinc/89/30/85/393893085.db2.gz HDXKQQKXYPICOT-DZGCQCFKSA-N 0 3 264.413 2.531 20 30 CFEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@@H](C)C#N ZINC000427497530 393893173 /nfs/dbraw/zinc/89/31/73/393893173.db2.gz QQBMEENUGPQOQM-ZDUSSCGKSA-N 0 3 271.364 2.689 20 30 CFEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000114729616 393902814 /nfs/dbraw/zinc/90/28/14/393902814.db2.gz DZLGAQKQMPEKLZ-GJZGRUSLSA-N 0 3 279.428 2.505 20 30 CFEDHN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc[nH]c(=O)c1 ZINC000340447872 393842860 /nfs/dbraw/zinc/84/28/60/393842860.db2.gz IQIAQLHUKKYQHE-ZBEGNZNMSA-N 0 3 279.343 2.997 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn2cccc(F)c2n1 ZINC000684767645 542851049 /nfs/dbraw/zinc/85/10/49/542851049.db2.gz OEJMWLHVGWLVAO-IUODEOHRSA-N 0 3 289.354 2.544 20 30 CFEDHN CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000119645444 393922974 /nfs/dbraw/zinc/92/29/74/393922974.db2.gz DMSPRCJZKAPZEI-UHFFFAOYSA-N 0 3 291.398 2.973 20 30 CFEDHN C=CCCCC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346242068 393924358 /nfs/dbraw/zinc/92/43/58/393924358.db2.gz RGKSRROHHKHFLL-SOUVJXGZSA-N 0 3 264.413 2.531 20 30 CFEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(C)C#N ZINC000346253924 393924611 /nfs/dbraw/zinc/92/46/11/393924611.db2.gz OESZDZKXEMUDPW-HIFRSBDPSA-N 0 3 258.365 2.934 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 ZINC000346547149 393931080 /nfs/dbraw/zinc/93/10/80/393931080.db2.gz OTKRPBCQUNMZBO-KFWWJZLASA-N 0 3 266.429 2.777 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000347108822 393936541 /nfs/dbraw/zinc/93/65/41/393936541.db2.gz PHVZDGSJBQPXGU-QRTLGDNMSA-N 0 3 282.265 2.837 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000120909406 393943400 /nfs/dbraw/zinc/94/34/00/393943400.db2.gz GDHFOKDANNXDTC-INIZCTEOSA-N 0 3 294.826 2.789 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)NCC2(C#N)CCC2)c1 ZINC000416754818 393945086 /nfs/dbraw/zinc/94/50/86/393945086.db2.gz HDCIEZKUPBGWBI-UHFFFAOYSA-N 0 3 286.379 2.564 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000121120288 393949038 /nfs/dbraw/zinc/94/90/38/393949038.db2.gz VOVNZCHBCGNNHX-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1 ZINC000417378056 393952717 /nfs/dbraw/zinc/95/27/17/393952717.db2.gz DSWYKFOQTHRWDB-BXUZGUMPSA-N 0 3 279.334 2.548 20 30 CFEDHN CCN(Cc1cccc(OCCCC#N)c1)C[C@@H](C)O ZINC000348707981 393956555 /nfs/dbraw/zinc/95/65/55/393956555.db2.gz JVZVUJFHVPPPOP-CQSZACIVSA-N 0 3 276.380 2.572 20 30 CFEDHN C=CCOc1ccc(CN(C)C2CC(OC)C2)cc1OC ZINC000348717436 393957300 /nfs/dbraw/zinc/95/73/00/393957300.db2.gz UBICDKMCBHIROE-UHFFFAOYSA-N 0 3 291.391 2.869 20 30 CFEDHN Cc1nc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000487768539 394022809 /nfs/dbraw/zinc/02/28/09/394022809.db2.gz JETDWBYWQKVXOF-KDOFPFPSSA-N 0 3 294.402 2.787 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H](O)CCOC(C)C ZINC000349241578 393965870 /nfs/dbraw/zinc/96/58/70/393965870.db2.gz KUQPXMFCXWLIQT-CQSZACIVSA-N 0 3 283.437 2.912 20 30 CFEDHN CCOC(=O)c1ccc(CNCC(C)(C)CCC#N)o1 ZINC000349299893 393967424 /nfs/dbraw/zinc/96/74/24/393967424.db2.gz RTQZGFOFWDQIQQ-UHFFFAOYSA-N 0 3 278.352 2.876 20 30 CFEDHN C=CCOc1ccccc1CNCC[C@@H](O)C(F)(F)F ZINC000349335362 393968328 /nfs/dbraw/zinc/96/83/28/393968328.db2.gz URQZPYCACVSFJS-CYBMUJFWSA-N 0 3 289.297 2.654 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)c1ccc(NC(N)=O)cc1 ZINC000123021474 393974903 /nfs/dbraw/zinc/97/49/03/393974903.db2.gz DDUWMIFXEYCPJC-LBPRGKRZSA-N 0 3 294.358 2.900 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@@H](Nc2nc3c(cc2C#N)CCC3)C1 ZINC000268261330 393991074 /nfs/dbraw/zinc/99/10/74/393991074.db2.gz RLJGVSXOSFTGDI-WBMJQRKESA-N 0 3 284.407 2.583 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000269794189 394007152 /nfs/dbraw/zinc/00/71/52/394007152.db2.gz KICDSPJRVMFXSE-BBRMVZONSA-N 0 3 277.795 2.927 20 30 CFEDHN C=C[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000489474272 394041105 /nfs/dbraw/zinc/04/11/05/394041105.db2.gz KRYRJPKUVYTJBX-OAHLLOKOSA-N 0 3 256.349 2.978 20 30 CFEDHN C#CCN(C)CC1(COc2cccc(COC)c2)CC1 ZINC000491313993 394048090 /nfs/dbraw/zinc/04/80/90/394048090.db2.gz CBZFSVYVRHSYJV-UHFFFAOYSA-N 0 3 273.376 2.557 20 30 CFEDHN CN(Cc1ccc(C#N)s1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000130083585 394101639 /nfs/dbraw/zinc/10/16/39/394101639.db2.gz YXVWDMLZMPRTBZ-MJBXVCDLSA-N 0 3 276.405 2.865 20 30 CFEDHN CN(CC[C@H]1CCOC1)Cc1cc(C#N)ccc1F ZINC000437582815 394060872 /nfs/dbraw/zinc/06/08/72/394060872.db2.gz OHBUOIYNUPWFQL-LBPRGKRZSA-N 0 3 262.328 2.556 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCCCC#N)C1 ZINC000492882028 394088238 /nfs/dbraw/zinc/08/82/38/394088238.db2.gz IOPVRWWSWSVLKW-ZDUSSCGKSA-N 0 3 281.400 2.621 20 30 CFEDHN COc1cc(C#N)ccc1CN(CCO)[C@@H]1CC[C@H](C)C1 ZINC000439008223 394093486 /nfs/dbraw/zinc/09/34/86/394093486.db2.gz TXCYTUYINPCSCG-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CN1C1CC1 ZINC000133557520 394177702 /nfs/dbraw/zinc/17/77/02/394177702.db2.gz AAEQJJXSFKQDJJ-ZJUUUORDSA-N 0 3 276.771 2.644 20 30 CFEDHN C=CCC[C@@H](NCCN1CCOC(C)(C)C1)c1ccco1 ZINC000286015450 394179376 /nfs/dbraw/zinc/17/93/76/394179376.db2.gz JKZJQOQLFVFLNQ-OAHLLOKOSA-N 0 3 292.423 2.987 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000358855301 394114243 /nfs/dbraw/zinc/11/42/43/394114243.db2.gz AUUTVVRWCQORTC-WDEREUQCSA-N 0 3 251.292 2.730 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC1CC(F)(F)C1 ZINC000358851921 394114369 /nfs/dbraw/zinc/11/43/69/394114369.db2.gz KECIEKBDEUDBMI-CQSZACIVSA-N 0 3 292.329 2.920 20 30 CFEDHN CC(C)(C#N)CCCN[C@@H](CO)c1cccc(F)c1 ZINC000359533906 394137032 /nfs/dbraw/zinc/13/70/32/394137032.db2.gz ZPWZPZGNXBOZDF-AWEZNQCLSA-N 0 3 264.344 2.779 20 30 CFEDHN C[C@H](C(=O)NCC(C)(C)CCC#N)N1CCCCCC1 ZINC000360426097 394151831 /nfs/dbraw/zinc/15/18/31/394151831.db2.gz QNDRMXDPFQLLPX-CQSZACIVSA-N 0 3 279.428 2.697 20 30 CFEDHN C=C(C)COCCN[C@H]1CCCc2c(O)cccc21 ZINC000360995253 394161966 /nfs/dbraw/zinc/16/19/66/394161966.db2.gz IAZRCUZEFZEUSN-HNNXBMFYSA-N 0 3 261.365 2.952 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)C[S@](C)=O)c1ccco1 ZINC000285915412 394165556 /nfs/dbraw/zinc/16/55/56/394165556.db2.gz CBMMYERAQMTQNG-PRXAMGSTSA-N 0 3 255.383 2.644 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CCc2ccc(OC)cc2C1 ZINC000133255587 394173112 /nfs/dbraw/zinc/17/31/12/394173112.db2.gz OIEDYBSXBQIFBD-HUUCEWRRSA-N 0 3 258.365 2.834 20 30 CFEDHN CS[C@@H]1CC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000421370743 394206050 /nfs/dbraw/zinc/20/60/50/394206050.db2.gz XETHXVVYUXXPFK-QWHCGFSZSA-N 0 3 250.342 2.681 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CC23CCSCC3)n1 ZINC000421373678 394207512 /nfs/dbraw/zinc/20/75/12/394207512.db2.gz GVMSCBKCZGDTJI-JTQLQIEISA-N 0 3 279.434 2.638 20 30 CFEDHN CC(C)(C)CC[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000421390836 394217295 /nfs/dbraw/zinc/21/72/95/394217295.db2.gz MUIGORBNLRQMTJ-AWEZNQCLSA-N 0 3 278.371 2.974 20 30 CFEDHN C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1cccc(C#N)c1 ZINC000290192066 394227477 /nfs/dbraw/zinc/22/74/77/394227477.db2.gz FYVOYLDVDWMSQO-IWEFOYFVSA-N 0 3 294.354 2.703 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(O)(c2ccccc2C)CC1 ZINC000366166460 394240292 /nfs/dbraw/zinc/24/02/92/394240292.db2.gz YLWVODVXCOQYAF-INIZCTEOSA-N 0 3 289.419 2.606 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@H](C)C1 ZINC000150878899 394254304 /nfs/dbraw/zinc/25/43/04/394254304.db2.gz QQCLJOKDZPGMMX-HNNXBMFYSA-N 0 3 266.429 2.923 20 30 CFEDHN C[C@@H](COCC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000421322366 394187424 /nfs/dbraw/zinc/18/74/24/394187424.db2.gz FVFJHMSGHHDWLP-VIFPVBQESA-N 0 3 290.260 2.754 20 30 CFEDHN C=CCC[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccco1 ZINC000286107027 394192942 /nfs/dbraw/zinc/19/29/42/394192942.db2.gz MWRNAHXVPYLGEG-ZDUSSCGKSA-N 0 3 297.420 2.701 20 30 CFEDHN Cc1ccnc(N2CCN(C3CCC3)C[C@H](C)C2)c1C#N ZINC000292153094 394270881 /nfs/dbraw/zinc/27/08/81/394270881.db2.gz CLKYLOGUPKTPDN-ZDUSSCGKSA-N 0 3 284.407 2.572 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccccc2)n[nH]1 ZINC000449517299 394279853 /nfs/dbraw/zinc/27/98/53/394279853.db2.gz FDTPDJUHEWBTRR-ZBFHGGJFSA-N 0 3 269.348 2.510 20 30 CFEDHN C=CCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000293882159 394285699 /nfs/dbraw/zinc/28/56/99/394285699.db2.gz XXEIAKGUCJTXKM-MRXNPFEDSA-N 0 3 295.386 2.959 20 30 CFEDHN CC#CCCN1CCc2cc(OC)c(OC)cc2CC1 ZINC000372082521 394306197 /nfs/dbraw/zinc/30/61/97/394306197.db2.gz BTHXQNFZYNESQS-UHFFFAOYSA-N 0 3 273.376 2.518 20 30 CFEDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000494236190 394345839 /nfs/dbraw/zinc/34/58/39/394345839.db2.gz BOBRXZRKOGFJMW-BONVTDFDSA-N 0 3 296.317 2.817 20 30 CFEDHN CC(C)(O)C(C)(C)NCC#Cc1ccccc1Cl ZINC000505629013 394367381 /nfs/dbraw/zinc/36/73/81/394367381.db2.gz CLNSPKWESAZUMR-UHFFFAOYSA-N 0 3 265.784 2.831 20 30 CFEDHN C=CCC[C@H](NCCNC(=O)NC(C)C)c1ccccc1 ZINC000519715645 394376349 /nfs/dbraw/zinc/37/63/49/394376349.db2.gz YLWBTKUXDZQGCH-INIZCTEOSA-N 0 3 289.423 2.991 20 30 CFEDHN N#Cc1csc(CNCCCN2CCCCCC2=O)c1 ZINC000177681004 394384461 /nfs/dbraw/zinc/38/44/61/394384461.db2.gz LNBZPHXLBQFTHR-UHFFFAOYSA-N 0 3 291.420 2.502 20 30 CFEDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453333429 394386610 /nfs/dbraw/zinc/38/66/10/394386610.db2.gz WCVHQEZARVVTRS-COLVAYQJSA-N 0 3 262.328 2.915 20 30 CFEDHN COc1ccc(CN[C@@H]2C[C@]2(C)OC(C)C)cc1C#N ZINC000527802844 394409152 /nfs/dbraw/zinc/40/91/52/394409152.db2.gz SHXMSDDOGLTJIU-CVEARBPZSA-N 0 3 274.364 2.612 20 30 CFEDHN COCc1ccc(NC2CCN(C3CC3)CC2)cc1C#N ZINC000529642083 394417758 /nfs/dbraw/zinc/41/77/58/394417758.db2.gz DVCUBIBPWFLCAL-UHFFFAOYSA-N 0 3 285.391 2.743 20 30 CFEDHN CC(C)(C#N)CCN1CCC(Nc2ccccn2)CC1 ZINC000540714411 394651674 /nfs/dbraw/zinc/65/16/74/394651674.db2.gz LUJLJRKFMUMZPA-UHFFFAOYSA-N 0 3 272.396 2.898 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000543457524 394731598 /nfs/dbraw/zinc/73/15/98/394731598.db2.gz IECAJVZLGMVIMA-UHFFFAOYSA-N 0 3 293.798 2.624 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000556885360 395023464 /nfs/dbraw/zinc/02/34/64/395023464.db2.gz XBDKBLYKJHIPQU-UONOGXRCSA-N 0 3 264.394 2.745 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(Br)cn1 ZINC000564783668 395082001 /nfs/dbraw/zinc/08/20/01/395082001.db2.gz RNVHRRMSIGYYJP-QWRGUYRKSA-N 0 3 299.212 2.679 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1 ZINC000594426673 395103408 /nfs/dbraw/zinc/10/34/08/395103408.db2.gz QUGGVJQLBFVWEG-GFCCVEGCSA-N 0 3 265.744 2.690 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](C)C[C@@H]2c2ccccc2)C1=O ZINC000285848220 542971266 /nfs/dbraw/zinc/97/12/66/542971266.db2.gz WYAHZGMPHXAMQS-BHYGNILZSA-N 0 3 284.403 2.856 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000647297564 395278863 /nfs/dbraw/zinc/27/88/63/395278863.db2.gz LSEXSAMCMCBRJA-INIZCTEOSA-N 0 3 290.407 2.674 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(OCC2CCCCC2)CC1 ZINC000649323860 395473671 /nfs/dbraw/zinc/47/36/71/395473671.db2.gz UNQMSGLUALNBRI-KRWDZBQOSA-N 0 3 281.440 2.985 20 30 CFEDHN C=CCCCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000649589689 395533680 /nfs/dbraw/zinc/53/36/80/395533680.db2.gz QSJKTAJWESADKA-RYUDHWBXSA-N 0 3 265.319 2.835 20 30 CFEDHN C=CCN1CC[C@@H](NC2(c3ccccc3C)CCC2)C1=O ZINC000649644445 395544779 /nfs/dbraw/zinc/54/47/79/395544779.db2.gz BYEXOYQKVPLTMU-MRXNPFEDSA-N 0 3 284.403 2.751 20 30 CFEDHN C=CCOCCN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649661538 395547657 /nfs/dbraw/zinc/54/76/57/395547657.db2.gz CQSXLZYFLCBFNJ-MRXNPFEDSA-N 0 3 263.356 2.992 20 30 CFEDHN C[C@@H](CCO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000649868117 395583340 /nfs/dbraw/zinc/58/33/40/395583340.db2.gz ZQKPIDQGLUGEJG-LBPRGKRZSA-N 0 3 285.309 2.760 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@]2(CC2(F)F)C1 ZINC000649901557 395587964 /nfs/dbraw/zinc/58/79/64/395587964.db2.gz OLMBIDWJQXIYCF-OCCSQVGLSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCOCCNCc1ccc(OC(C)C)c(OC)c1 ZINC000383593435 543100516 /nfs/dbraw/zinc/10/05/16/543100516.db2.gz LUJRUCZYOXHEKE-UHFFFAOYSA-N 0 3 279.380 2.775 20 30 CFEDHN CC(C)N(CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356063775 155154338 /nfs/dbraw/zinc/15/43/38/155154338.db2.gz XBOCQEHWKCHAQN-UHFFFAOYSA-N 0 3 286.297 2.780 20 30 CFEDHN N#Cc1ccc(CN(CCO)C2CC2)c(C(F)(F)F)c1 ZINC000356079105 155156515 /nfs/dbraw/zinc/15/65/15/155156515.db2.gz APEGGGTUCSPJHP-UHFFFAOYSA-N 0 3 284.281 2.534 20 30 CFEDHN C=CCC1(NC(=O)NC2CCN(CC)CC2)CCCC1 ZINC000663454163 413212816 /nfs/dbraw/zinc/21/28/16/413212816.db2.gz GEOQOTAEMTUHBB-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000660281041 413217861 /nfs/dbraw/zinc/21/78/61/413217861.db2.gz SUKSTSFIPIABQH-CQSZACIVSA-N 0 3 291.439 2.611 20 30 CFEDHN C[C@@H]1CC[C@H](N(CCO)Cc2cc(C#N)cs2)C1 ZINC000356373461 155243740 /nfs/dbraw/zinc/24/37/40/155243740.db2.gz VRZUXSPNIXUYEJ-YPMHNXCESA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)NCc1cc(C#N)cs1 ZINC000574099091 413274656 /nfs/dbraw/zinc/27/46/56/413274656.db2.gz GUWWYQMWIJLNRD-ZDUSSCGKSA-N 0 3 277.437 2.830 20 30 CFEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCOC1 ZINC000356830230 155383500 /nfs/dbraw/zinc/38/35/00/155383500.db2.gz DOIVQNUMXNJUAV-DGCLKSJQSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCOC1 ZINC000356830231 155383650 /nfs/dbraw/zinc/38/36/50/155383650.db2.gz DOIVQNUMXNJUAV-WCQYABFASA-N 0 3 262.328 2.602 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000660396698 413285110 /nfs/dbraw/zinc/28/51/10/413285110.db2.gz NOMCAVZTWPUWRB-HZPDHXFCSA-N 0 3 293.455 2.716 20 30 CFEDHN COc1ccccc1[C@@H](CNCc1ccc(C#N)o1)N(C)C ZINC000343081295 154108409 /nfs/dbraw/zinc/10/84/09/154108409.db2.gz VVWJCDZRMXXPOX-MRXNPFEDSA-N 0 3 299.374 2.552 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NCCN1CCC(C)CC1 ZINC000663631165 413292081 /nfs/dbraw/zinc/29/20/81/413292081.db2.gz TXDFPCKZCDXNNO-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000663643281 413294926 /nfs/dbraw/zinc/29/49/26/413294926.db2.gz SMHYDXNVVLACQT-AWEZNQCLSA-N 0 3 281.444 2.905 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc1 ZINC000355598811 155051740 /nfs/dbraw/zinc/05/17/40/155051740.db2.gz RCEPEKMPCZUVHE-UHFFFAOYSA-N 0 3 293.330 2.665 20 30 CFEDHN COCC[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358562333 155802060 /nfs/dbraw/zinc/80/20/60/155802060.db2.gz GQTXYPHHEIKBKD-QWRGUYRKSA-N 0 3 250.317 2.773 20 30 CFEDHN C=CCCCCCNC(=O)NCCN1CCCCC1 ZINC000653477490 413317903 /nfs/dbraw/zinc/31/79/03/413317903.db2.gz PXQDWVCQHYIZHK-UHFFFAOYSA-N 0 3 267.417 2.518 20 30 CFEDHN Cc1noc([C@H]2CCCN(Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000362921839 156114498 /nfs/dbraw/zinc/11/44/98/156114498.db2.gz KEAGQUCQCMKHNR-INIZCTEOSA-N 0 3 296.374 2.938 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)c2ccc(C#N)s2)c1 ZINC000362968002 156130594 /nfs/dbraw/zinc/13/05/94/156130594.db2.gz VQCVDVGYHNDGKU-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN CC[C@H](C)[C@H](CNCc1cc(C#N)cs1)OC ZINC000362977614 156134123 /nfs/dbraw/zinc/13/41/23/156134123.db2.gz SFNVQZPRDZZRDG-GWCFXTLKSA-N 0 3 252.383 2.770 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000363525337 156179054 /nfs/dbraw/zinc/17/90/54/156179054.db2.gz NIVDHJNDNMGUFY-QGZVFWFLSA-N 0 3 297.402 2.535 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1Cc2ccccc2O1 ZINC000363874975 156201426 /nfs/dbraw/zinc/20/14/26/156201426.db2.gz KMCAQJCRRCTSHB-QGZVFWFLSA-N 0 3 278.355 2.994 20 30 CFEDHN Cn1nccc1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367122226 156284396 /nfs/dbraw/zinc/28/43/96/156284396.db2.gz YFVHIVUXRZFSQE-UHFFFAOYSA-N 0 3 292.386 2.624 20 30 CFEDHN C=CCCn1cc(CN(CC)[C@H](C)C(C)C)nn1 ZINC000653509527 413341411 /nfs/dbraw/zinc/34/14/11/413341411.db2.gz LBEUYQRNMJHSLX-CYBMUJFWSA-N 0 3 250.390 2.721 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2C[C@H](CO)c3ccccc32)c1 ZINC000373633735 157015934 /nfs/dbraw/zinc/01/59/34/157015934.db2.gz KLIUZRGJWPRXOB-CRAIPNDOSA-N 0 3 278.355 2.869 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000374690564 157151045 /nfs/dbraw/zinc/15/10/45/157151045.db2.gz AIXUQSDZZOFLLT-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@H]1[C@H]1CCCO1 ZINC000375277345 157216720 /nfs/dbraw/zinc/21/67/20/157216720.db2.gz JEVHBXYZNAXIMZ-DOTOQJQBSA-N 0 3 286.375 2.580 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000375374562 157235528 /nfs/dbraw/zinc/23/55/28/157235528.db2.gz YJWRSROOOFEYQY-NVXWUHKLSA-N 0 3 286.375 2.710 20 30 CFEDHN N#Cc1cccc(OCCN2CCC(c3cn[nH]c3)CC2)c1 ZINC000375771421 157282592 /nfs/dbraw/zinc/28/25/92/157282592.db2.gz KMFYEEAPFPIBHP-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN C=CCCn1cc(CN2C[C@@H](C)CCC[C@H]2C)nn1 ZINC000653559137 413369727 /nfs/dbraw/zinc/36/97/27/413369727.db2.gz KKEXAXBEYZMUDG-UONOGXRCSA-N 0 3 262.401 2.865 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCCCC2(C)C)nn1 ZINC000653619772 413407420 /nfs/dbraw/zinc/40/74/20/413407420.db2.gz DTTHEFVXIWTUMS-AWEZNQCLSA-N 0 3 262.401 2.913 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343391678 161755816 /nfs/dbraw/zinc/75/58/16/161755816.db2.gz FDBMESRRDNQEGI-CABCVRRESA-N 0 3 285.372 2.635 20 30 CFEDHN C[C@]1(NCc2cc(C#N)cs2)CCO[C@@H]1C1CC1 ZINC000344376723 162028932 /nfs/dbraw/zinc/02/89/32/162028932.db2.gz MHLIMOIGRAOYAA-KGLIPLIRSA-N 0 3 262.378 2.667 20 30 CFEDHN CC[C@H](C)[C@@](C)(O)CNCc1ccc(C#N)cc1F ZINC000344382396 162029513 /nfs/dbraw/zinc/02/95/13/162029513.db2.gz OWDMQJKSHUDRKR-NHYWBVRUSA-N 0 3 264.344 2.584 20 30 CFEDHN CC[C@H](C[C@@H](C)CO)NCc1ccc(C#N)cc1F ZINC000344605671 162078032 /nfs/dbraw/zinc/07/80/32/162078032.db2.gz MZQCJOUABDFICA-BXUZGUMPSA-N 0 3 264.344 2.584 20 30 CFEDHN N#Cc1csc(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000344616569 162080776 /nfs/dbraw/zinc/08/07/76/162080776.db2.gz SQZLQVPXWWIGMW-UHFFFAOYSA-N 0 3 287.344 2.860 20 30 CFEDHN N#Cc1ccc(CNC2(CCO)CCCCC2)c(F)c1 ZINC000344614173 162080852 /nfs/dbraw/zinc/08/08/52/162080852.db2.gz QKZAEUZISOBAQT-UHFFFAOYSA-N 0 3 276.355 2.872 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000346140188 162328504 /nfs/dbraw/zinc/32/85/04/162328504.db2.gz XCFCYDVTVOTOGM-NVXWUHKLSA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@H](NC[C@@](C)(O)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346161715 162333990 /nfs/dbraw/zinc/33/39/90/162333990.db2.gz CDLDGZJFIPOOMO-ZUZCIYMTSA-N 0 3 262.328 2.509 20 30 CFEDHN CC(C)[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346198766 162348783 /nfs/dbraw/zinc/34/87/83/162348783.db2.gz RMSMXPJLOHNWFB-NHYWBVRUSA-N 0 3 264.344 2.755 20 30 CFEDHN CCN(CCN1CCCCCC1)C(=O)c1ccc(C#N)cc1 ZINC000346351668 162392186 /nfs/dbraw/zinc/39/21/86/162392186.db2.gz NZNLNKPLERUOAW-UHFFFAOYSA-N 0 3 299.418 2.896 20 30 CFEDHN C=CCCn1cc(CN(CC)C(CC)CC)nn1 ZINC000653677870 413444270 /nfs/dbraw/zinc/44/42/70/413444270.db2.gz IZQSAAYWRJIQMD-UHFFFAOYSA-N 0 3 250.390 2.865 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1ccc(F)c(C#N)c1 ZINC000350643583 163095245 /nfs/dbraw/zinc/09/52/45/163095245.db2.gz WZOHWWXMANKERL-UHFFFAOYSA-N 0 3 292.354 2.909 20 30 CFEDHN CC(C)[C@](C)(CO)NCc1ccc(C#N)cc1OC(F)F ZINC000352895456 163264267 /nfs/dbraw/zinc/26/42/67/163264267.db2.gz VUJVONJHZDFCME-HNNXBMFYSA-N 0 3 298.333 2.656 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCOCC(F)(F)F)CC2 ZINC000353241729 163325879 /nfs/dbraw/zinc/32/58/79/163325879.db2.gz LXZWYPNMWXDZPM-CYBMUJFWSA-N 0 3 284.281 2.714 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCC(=O)N1CCCCC1)CC2 ZINC000353270779 163334243 /nfs/dbraw/zinc/33/42/43/163334243.db2.gz XBKKXKVOTOQXBF-KRWDZBQOSA-N 0 3 297.402 2.538 20 30 CFEDHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000181764675 287030303 /nfs/dbraw/zinc/03/03/03/287030303.db2.gz XQUOCWIZSHDLHR-BLVKFPJESA-N 0 3 278.421 2.756 20 30 CFEDHN N#Cc1ccc(OCCN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284374044 196042765 /nfs/dbraw/zinc/04/27/65/196042765.db2.gz FDSOVMQYLGXOBR-IAGOWNOFSA-N 0 3 286.375 2.580 20 30 CFEDHN C#CCSCCN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284429012 196053834 /nfs/dbraw/zinc/05/38/34/196053834.db2.gz RFMJDVHEMHGWOG-SNVBAGLBSA-N 0 3 284.812 2.761 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284723393 196119017 /nfs/dbraw/zinc/11/90/17/196119017.db2.gz JVQXJMJLDWKYGX-JKSUJKDBSA-N 0 3 256.349 2.702 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC000329831938 287262621 /nfs/dbraw/zinc/26/26/21/287262621.db2.gz FTTPWRYVFYRCAU-CHWSQXEVSA-N 0 3 281.400 2.716 20 30 CFEDHN C=CCCn1cc(CN[C@]2(C)CCCC[C@H]2C)nn1 ZINC000653757701 413482118 /nfs/dbraw/zinc/48/21/18/413482118.db2.gz ALXCHOXXPHWQDF-UKRRQHHQSA-N 0 3 262.401 2.913 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000285027367 196181394 /nfs/dbraw/zinc/18/13/94/196181394.db2.gz KFZMHVDAGRWXIU-SJLPKXTDSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)Cc2ccc(C)s2)nn1 ZINC000657367068 413505562 /nfs/dbraw/zinc/50/55/62/413505562.db2.gz FRXOWOJNGDIPDB-GFCCVEGCSA-N 0 3 290.436 2.945 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@](C)(CC)C2CC2)CC1 ZINC000664021720 413519989 /nfs/dbraw/zinc/51/99/89/413519989.db2.gz ZMVOSLVVFPWLPH-INIZCTEOSA-N 0 3 279.428 2.515 20 30 CFEDHN CC[C@H](NCC#Cc1ccccc1)[C@H]1CCCCO1 ZINC000653874052 413550696 /nfs/dbraw/zinc/55/06/96/413550696.db2.gz AGSSUKQXFRJVHG-DLBZAZTESA-N 0 3 257.377 2.975 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285057131 196187309 /nfs/dbraw/zinc/18/73/09/196187309.db2.gz ISPGAVFVJJOOMG-JTQLQIEISA-N 0 3 281.381 2.747 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@H](C(N)=O)c2ccccc2)C1 ZINC000651672910 413555723 /nfs/dbraw/zinc/55/57/23/413555723.db2.gz PDJXLBONDNAMLP-YUELXQCFSA-N 0 3 258.365 2.547 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000651672907 413556683 /nfs/dbraw/zinc/55/66/83/413556683.db2.gz PDJXLBONDNAMLP-BPLDGKMQSA-N 0 3 258.365 2.547 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(F)ccc1OC(F)F ZINC000657426493 413591513 /nfs/dbraw/zinc/59/15/13/413591513.db2.gz GGPFIRYHIKSVCJ-SNVBAGLBSA-N 0 3 289.297 2.701 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](C)[C@H](C)C2)nn1 ZINC000657434267 413604431 /nfs/dbraw/zinc/60/44/31/413604431.db2.gz BPSARXJAGQBFGE-MGPQQGTHSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000651782755 413635145 /nfs/dbraw/zinc/63/51/45/413635145.db2.gz DFNHEFYQPCZNOL-NEPJUHHUSA-N 0 3 299.461 2.986 20 30 CFEDHN C=CCCn1cc(CNCCC2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000657464171 413635560 /nfs/dbraw/zinc/63/55/60/413635560.db2.gz PIKXQTOXZAYGKN-ZIAGYGMSSA-N 0 3 292.427 2.538 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2ccc(OC)nc2OC)C1 ZINC000651815118 413657876 /nfs/dbraw/zinc/65/78/76/413657876.db2.gz XRANKHWYARKCJM-GXTWGEPZSA-N 0 3 276.380 2.933 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(F)c(F)c1F ZINC000657485668 413672257 /nfs/dbraw/zinc/67/22/57/413672257.db2.gz PJHAHBKKEBNRHD-JTQLQIEISA-N 0 3 259.271 2.521 20 30 CFEDHN C=CCCn1cc(CN[C@@H](CC)C2CCCC2)nn1 ZINC000657485655 413672486 /nfs/dbraw/zinc/67/24/86/413672486.db2.gz OZHAPGILHXBCQT-HNNXBMFYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCCCNCc1cc(C(F)(F)F)nn1C ZINC000657438441 413606207 /nfs/dbraw/zinc/60/62/07/413606207.db2.gz KSUDJJZZTYSTPW-UHFFFAOYSA-N 0 3 261.291 2.885 20 30 CFEDHN C=CCCn1cc(CN[C@H](C2CC2)C2CCC2)nn1 ZINC000657486967 413673750 /nfs/dbraw/zinc/67/37/50/413673750.db2.gz DGVRWYFSKRUZFQ-HNNXBMFYSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000660858007 413618874 /nfs/dbraw/zinc/61/88/74/413618874.db2.gz AMAAJMCWTSLZCU-WCVJEAGWSA-N 0 3 293.455 2.903 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccc(S(C)(=O)=O)o1 ZINC000657529885 413713615 /nfs/dbraw/zinc/71/36/15/413713615.db2.gz KJOZSAMJDHBWFN-TZMCWYRMSA-N 0 3 297.420 2.908 20 30 CFEDHN C=CCOCCCNc1cc(C)nc2ccccc21 ZINC000664386519 413725662 /nfs/dbraw/zinc/72/56/62/413725662.db2.gz OYOYWHDMMOJKKM-UHFFFAOYSA-N 0 3 256.349 2.970 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654311740 413801905 /nfs/dbraw/zinc/80/19/05/413801905.db2.gz LDORJKFIEBWYOF-CVEARBPZSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCCn1cc(CNCCc2ccc(C)c(C)c2)nn1 ZINC000657626141 413803597 /nfs/dbraw/zinc/80/35/97/413803597.db2.gz GIIFVIMROHWWBI-UHFFFAOYSA-N 0 3 284.407 2.803 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000664409396 413749160 /nfs/dbraw/zinc/74/91/60/413749160.db2.gz VLIFVTQMYVBTSU-TZMCWYRMSA-N 0 3 279.428 2.513 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654319991 413813890 /nfs/dbraw/zinc/81/38/90/413813890.db2.gz REIORRALYLFISF-SQWLQELKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000657582786 413770377 /nfs/dbraw/zinc/77/03/77/413770377.db2.gz GHMGTJJMKSTUBU-UHFFFAOYSA-N 0 3 271.263 2.682 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)C2(CO)CC2)cc1OC ZINC000657602599 413783326 /nfs/dbraw/zinc/78/33/26/413783326.db2.gz KLCOBHVDBDTYBU-ZDUSSCGKSA-N 0 3 291.391 2.511 20 30 CFEDHN C=CCOCCCNCc1c(F)cc(C)cc1F ZINC000657658778 413828409 /nfs/dbraw/zinc/82/84/09/413828409.db2.gz DWGIXDMNAIBOOI-UHFFFAOYSA-N 0 3 255.308 2.956 20 30 CFEDHN C=CCN(CCc1ccccc1F)[C@@H](C)COC ZINC000661241364 413840618 /nfs/dbraw/zinc/84/06/18/413840618.db2.gz WNPQAYSGNRIESP-ZDUSSCGKSA-N 0 3 251.345 2.891 20 30 CFEDHN C=CCN(Cc1cccc(-n2cccn2)c1)[C@@H](C)COC ZINC000661241460 413843212 /nfs/dbraw/zinc/84/32/12/413843212.db2.gz YOEUPOSXRGEVCT-HNNXBMFYSA-N 0 3 285.391 2.895 20 30 CFEDHN C=CCN(CCN(C)c1ccccc1)[C@H](C)COC ZINC000661241746 413845177 /nfs/dbraw/zinc/84/51/77/413845177.db2.gz AXDXOSXEZTZFGU-OAHLLOKOSA-N 0 3 262.397 2.646 20 30 CFEDHN C=CCN(Cc1cccc(NC(C)=O)c1)[C@@H](C)COC ZINC000661245298 413846205 /nfs/dbraw/zinc/84/62/05/413846205.db2.gz ZQOSVYTYJAGDPY-ZDUSSCGKSA-N 0 3 276.380 2.668 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1F)[C@H](C)COC ZINC000661243606 413848219 /nfs/dbraw/zinc/84/82/19/413848219.db2.gz LXQBNPPUONANAZ-CYBMUJFWSA-N 0 3 294.370 2.677 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664590409 413853912 /nfs/dbraw/zinc/85/39/12/413853912.db2.gz WKBWAPBAHXSBCH-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000661376270 413932072 /nfs/dbraw/zinc/93/20/72/413932072.db2.gz ADCYMUCDVDAPPC-CABCVRRESA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCC1(CNC(=O)N[C@@H]2CCCN(C)C2)CCCC1 ZINC000652417848 413933969 /nfs/dbraw/zinc/93/39/69/413933969.db2.gz IWUWBUPLGYERIN-CQSZACIVSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000661378556 413935953 /nfs/dbraw/zinc/93/59/53/413935953.db2.gz IZKAZJQNUGVWSF-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccco2)C1 ZINC000661378417 413936155 /nfs/dbraw/zinc/93/61/55/413936155.db2.gz FZORCRBSNDRDDD-CQSZACIVSA-N 0 3 276.380 2.526 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC(C)CC2)C1 ZINC000661378456 413936641 /nfs/dbraw/zinc/93/66/41/413936641.db2.gz GWUDPHYVIFEXQC-OAHLLOKOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000661378558 413936948 /nfs/dbraw/zinc/93/69/48/413936948.db2.gz IZKAZJQNUGVWSF-QWHCGFSZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000661381328 413940556 /nfs/dbraw/zinc/94/05/56/413940556.db2.gz JCRIHTDPVBDORM-CYBMUJFWSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000661380223 413942157 /nfs/dbraw/zinc/94/21/57/413942157.db2.gz LFXLSKOKOOWSKQ-KBPBESRZSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000661381789 413943272 /nfs/dbraw/zinc/94/32/72/413943272.db2.gz PJQXOPAFILFCIT-UKRRQHHQSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CC[C@@H]1CCCN(CCc2nc(C(C)=O)c(C)[nH]2)C1 ZINC000661379950 413945114 /nfs/dbraw/zinc/94/51/14/413945114.db2.gz CNTQTPLZSONYBX-CQSZACIVSA-N 0 3 275.396 2.751 20 30 CFEDHN C=CC[C@@H]1CCCN(CCc2nc(C)c(C(C)=O)[nH]2)C1 ZINC000661379950 413945122 /nfs/dbraw/zinc/94/51/22/413945122.db2.gz CNTQTPLZSONYBX-CQSZACIVSA-N 0 3 275.396 2.751 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654554740 413903686 /nfs/dbraw/zinc/90/36/86/413903686.db2.gz SDJNUORXACSLGP-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654573987 413913664 /nfs/dbraw/zinc/91/36/64/413913664.db2.gz XIXUNOCNJOGOBR-LSDHHAIUSA-N 0 3 293.455 2.905 20 30 CFEDHN C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)[C@H]1CCO ZINC000661497036 414010952 /nfs/dbraw/zinc/01/09/52/414010952.db2.gz HTFAAEUNIINANO-PBHICJAKSA-N 0 3 275.367 2.660 20 30 CFEDHN C=CCCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000661570683 414053828 /nfs/dbraw/zinc/05/38/28/414053828.db2.gz QRHHBXZWAFBDLK-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN Cc1noc(C)c1C(C)(C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000285754085 196387325 /nfs/dbraw/zinc/38/73/25/196387325.db2.gz RUMDAGBVPHUIAP-HNNXBMFYSA-N 0 3 299.374 2.721 20 30 CFEDHN COC(=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037488173 173230838 /nfs/dbraw/zinc/23/08/38/173230838.db2.gz NERIAEAPEQUDIJ-UHFFFAOYSA-N 0 3 280.327 2.635 20 30 CFEDHN C=CCC[C@H](NC[C@H](OC)[C@H]1CCOC1)c1ccco1 ZINC000658073746 414156548 /nfs/dbraw/zinc/15/65/48/414156548.db2.gz ZGURGVBXIIPFFO-DZKIICNBSA-N 0 3 279.380 2.928 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000658027088 414111444 /nfs/dbraw/zinc/11/14/44/414111444.db2.gz KIEQHUIUVMIJDG-DGCLKSJQSA-N 0 3 260.385 2.907 20 30 CFEDHN C=CCCCCCNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000665255544 414213089 /nfs/dbraw/zinc/21/30/89/414213089.db2.gz VXNVKTZDLJLBLJ-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCC1(NCc2cn(CC3CC3)nn2)CCCC1 ZINC000661850332 414257513 /nfs/dbraw/zinc/25/75/13/414257513.db2.gz HPTNSGUYWCOXHD-UHFFFAOYSA-N 0 3 260.385 2.667 20 30 CFEDHN C=CCC1(NCc2cn3cccnc3n2)CCCC1 ZINC000661849889 414258147 /nfs/dbraw/zinc/25/81/47/414258147.db2.gz IICFRSRVVMQDEF-UHFFFAOYSA-N 0 3 256.353 2.708 20 30 CFEDHN N#Cc1ccc(CCN2CCC3(CCCC3=O)CC2)cc1 ZINC000661959176 414310663 /nfs/dbraw/zinc/31/06/63/414310663.db2.gz BKSRHFBDXHFSGK-UHFFFAOYSA-N 0 3 282.387 2.936 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000665389971 414318007 /nfs/dbraw/zinc/31/80/07/414318007.db2.gz SZLQXWZKBLPLNL-ZBFHGGJFSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC[C@H](O)CNC1(c2cccc(OC)c2)CCC1 ZINC000662108835 414411317 /nfs/dbraw/zinc/41/13/17/414411317.db2.gz AOWLYTJGRJIIRE-HNNXBMFYSA-N 0 3 275.392 2.991 20 30 CFEDHN C=CCC[C@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000662164437 414441498 /nfs/dbraw/zinc/44/14/98/414441498.db2.gz DEZFEYNMRUFUKL-IINYFYTJSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000662084840 414400603 /nfs/dbraw/zinc/40/06/03/414400603.db2.gz WVZCQEBXJCUHBI-XYPHTWIQSA-N 0 3 288.435 2.959 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000662082592 414400906 /nfs/dbraw/zinc/40/09/06/414400906.db2.gz WHDYMRBUGFDNKU-IXDOHACOSA-N 0 3 284.403 2.999 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccccc1 ZINC000662082208 414401752 /nfs/dbraw/zinc/40/17/52/414401752.db2.gz ZGZLFCNQZLPBJP-BHYGNILZSA-N 0 3 284.403 2.874 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(-c2cnn(C)c2)no1 ZINC000662090542 414402841 /nfs/dbraw/zinc/40/28/41/414402841.db2.gz QAMWBSUTFNARDM-OKILXGFUSA-N 0 3 284.363 2.758 20 30 CFEDHN C=CCCCCCN1CCc2c(cccc2C(N)=O)C1 ZINC000662299381 414499022 /nfs/dbraw/zinc/49/90/22/414499022.db2.gz ZJHCVFMCDZEXHH-UHFFFAOYSA-N 0 3 272.392 2.890 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC[C@H](N)c1ccccc1 ZINC000659519235 414529591 /nfs/dbraw/zinc/52/95/91/414529591.db2.gz GLDKQTOPFZVXSD-AWEZNQCLSA-N 0 3 275.396 2.730 20 30 CFEDHN C=CCCC(C)(C)NC(=O)c1ccc2c(c1)CNC2 ZINC000662954491 414639116 /nfs/dbraw/zinc/63/91/16/414639116.db2.gz VMXQDNJXFFRNNE-UHFFFAOYSA-N 0 3 258.365 2.764 20 30 CFEDHN CC1CCN(CCNc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000040444324 174263870 /nfs/dbraw/zinc/26/38/70/174263870.db2.gz DJVWYDWWDCMAAK-UHFFFAOYSA-N 0 3 288.351 2.610 20 30 CFEDHN C#CCOc1ccccc1CNCCOCCCC ZINC000040506626 174302156 /nfs/dbraw/zinc/30/21/56/174302156.db2.gz PLBIGJBDXPNDIR-UHFFFAOYSA-N 0 3 261.365 2.605 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C)CC2)CC1 ZINC000171607102 335072614 /nfs/dbraw/zinc/07/26/14/335072614.db2.gz NMOMJUQJMHLUHF-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCN(CC(=O)N(CC)CC)CC1CCCCC1 ZINC000078652236 177366791 /nfs/dbraw/zinc/36/67/91/177366791.db2.gz OAZJJXZXURXNGR-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN Cc1ccc([C@@]2(C)CCN(C(=O)C(C)C#N)C2)cc1 ZINC000334590739 225025888 /nfs/dbraw/zinc/02/58/88/225025888.db2.gz FPMPOCMLGHMDFF-CJNGLKHVSA-N 0 3 256.349 2.645 20 30 CFEDHN Cc1ccccc1C1CCN(C(=O)C(C)C#N)CC1 ZINC000334674862 225245096 /nfs/dbraw/zinc/24/50/96/225245096.db2.gz APPTWDXNSOITAV-CYBMUJFWSA-N 0 3 256.349 2.861 20 30 CFEDHN C[C@H]1CC(C)(C)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000335208057 225876454 /nfs/dbraw/zinc/87/64/54/225876454.db2.gz OVDGWYGDVHYOHP-BBRMVZONSA-N 0 3 295.386 2.888 20 30 CFEDHN CC(C#N)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000347038652 226025484 /nfs/dbraw/zinc/02/54/84/226025484.db2.gz PFKYAFMNXPYHEB-JTQLQIEISA-N 0 3 271.345 2.586 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccccc2)cc1 ZINC000347964076 226390104 /nfs/dbraw/zinc/39/01/04/226390104.db2.gz USTLBTODPSHOKR-QGZVFWFLSA-N 0 3 289.338 2.557 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cccs2)cc1 ZINC000348020883 226396484 /nfs/dbraw/zinc/39/64/84/226396484.db2.gz VCLLLFLCARKYHY-CQSZACIVSA-N 0 3 295.367 2.618 20 30 CFEDHN CCn1c(C(=O)C(C#N)c2ccncn2)cc2ccccc21 ZINC000354472676 227007698 /nfs/dbraw/zinc/00/76/98/227007698.db2.gz PHCRZFPCQGGSAA-CYBMUJFWSA-N 0 3 290.326 2.941 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000350631040 227045851 /nfs/dbraw/zinc/04/58/51/227045851.db2.gz GFGAIQHZGXFAAA-NFAWXSAZSA-N 0 3 256.349 2.626 20 30 CFEDHN C[C@H]([NH+]=C([O-])N[C@@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330189980 228060662 /nfs/dbraw/zinc/06/06/62/228060662.db2.gz MFHKHNCMVBIUGQ-GXTWGEPZSA-N 0 3 290.411 2.670 20 30 CFEDHN C[C@H](NC([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330189980 228060665 /nfs/dbraw/zinc/06/06/65/228060665.db2.gz MFHKHNCMVBIUGQ-GXTWGEPZSA-N 0 3 290.411 2.670 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000330204806 228065300 /nfs/dbraw/zinc/06/53/00/228065300.db2.gz BXZZHJXCHGTQSP-UZMCECQYSA-N 0 3 280.412 2.679 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000330287439 228093504 /nfs/dbraw/zinc/09/35/04/228093504.db2.gz BERVCQDGKVTYGT-CHWSQXEVSA-N 0 3 299.378 2.728 20 30 CFEDHN O=C(NCCC1CC(O)C1)[C@@H]1CCCN1C1CCCC1 ZINC000330341761 228160440 /nfs/dbraw/zinc/16/04/40/228160440.db2.gz ZRNFDGRXQNKWMO-ZALBZXLWSA-N 0 3 280.412 2.511 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000335974695 228172501 /nfs/dbraw/zinc/17/25/01/228172501.db2.gz VYJOYLYHNYKTMI-RISCZKNCSA-N 0 3 260.312 2.519 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000336000951 228176983 /nfs/dbraw/zinc/17/69/83/228176983.db2.gz GNSOKIHBBANBEY-UKRRQHHQSA-N 0 3 256.349 2.627 20 30 CFEDHN Cc1ccccc1C[C@@H]1CCCN1C(=O)C(C)C#N ZINC000336001178 228177053 /nfs/dbraw/zinc/17/70/53/228177053.db2.gz UEFWEBMEHNTVLF-ZFWWWQNUSA-N 0 3 256.349 2.688 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)COC3)C1 ZINC000336231990 228218602 /nfs/dbraw/zinc/21/86/02/228218602.db2.gz SQHROCDSIULNTJ-MLGOLLRUSA-N 0 3 256.349 2.889 20 30 CFEDHN C=C(C)[C@@H](NCC(C)(C)O)c1ccc(F)c(F)c1 ZINC000187771975 260057130 /nfs/dbraw/zinc/05/71/30/260057130.db2.gz ZIFHPBJIPTYSPL-CYBMUJFWSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297514145 260128129 /nfs/dbraw/zinc/12/81/29/260128129.db2.gz MNCPOYNTCUGOPI-HOTGVXAUSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCOc1ccc(CNCCOCC(F)(F)F)cc1 ZINC000070167152 260152862 /nfs/dbraw/zinc/15/28/62/260152862.db2.gz DZYRQIFWQNGURQ-UHFFFAOYSA-N 0 3 289.297 2.920 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)CC(F)(F)F ZINC000188618867 260163280 /nfs/dbraw/zinc/16/32/80/260163280.db2.gz XQPWCANLEHWPBC-CYBMUJFWSA-N 0 3 273.298 2.988 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)CCC)CC1 ZINC000521588733 260194459 /nfs/dbraw/zinc/19/44/59/260194459.db2.gz JCEWEYHXCKVTPH-CQSZACIVSA-N 0 3 281.444 2.857 20 30 CFEDHN CC(=O)Nc1cccc([C@H](C)NCC2(CC#N)CC2)c1 ZINC000088249649 260229779 /nfs/dbraw/zinc/22/97/79/260229779.db2.gz DXVRSIQLQHFVBL-LBPRGKRZSA-N 0 3 271.364 2.989 20 30 CFEDHN N#CCOc1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000077012641 260295398 /nfs/dbraw/zinc/29/53/98/260295398.db2.gz WQOGWXCNQGGWEB-UHFFFAOYSA-N 0 3 296.370 2.583 20 30 CFEDHN CCOC[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000313482567 260297964 /nfs/dbraw/zinc/29/79/64/260297964.db2.gz KMGNSRHKDCECIU-MRXNPFEDSA-N 0 3 288.391 2.958 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000517988811 260332139 /nfs/dbraw/zinc/33/21/39/260332139.db2.gz WJCRVXJXYYFVOG-UHFFFAOYSA-N 0 3 297.402 2.857 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)cc1OC ZINC000090450937 260359783 /nfs/dbraw/zinc/35/97/83/260359783.db2.gz WYECHTRORZGVSZ-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccc(C)cc1 ZINC000237791532 260705666 /nfs/dbraw/zinc/70/56/66/260705666.db2.gz VCAYCCOCVZBQNB-GOSISDBHSA-N 0 3 295.382 2.830 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)Nc2ccccn2)n1 ZINC000155769688 261107304 /nfs/dbraw/zinc/10/73/04/261107304.db2.gz PENXORWCGRQLGE-SNVBAGLBSA-N 0 3 286.360 2.907 20 30 CFEDHN C=CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000448382711 261136122 /nfs/dbraw/zinc/13/61/22/261136122.db2.gz NXQASGSAOVOEKP-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000248927299 261220830 /nfs/dbraw/zinc/22/08/30/261220830.db2.gz XJSDFXNGJIHWCB-GUTXKFCHSA-N 0 3 271.364 2.686 20 30 CFEDHN C#CCN(CC)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000490853989 261231059 /nfs/dbraw/zinc/23/10/59/261231059.db2.gz WWXKZRXZCGQRAQ-CYBMUJFWSA-N 0 3 285.309 2.564 20 30 CFEDHN N#CCC1(CNCc2c[nH]nc2-c2cccs2)CC1 ZINC000368463878 261311274 /nfs/dbraw/zinc/31/12/74/261311274.db2.gz ZEBKWWXSSHJZBV-UHFFFAOYSA-N 0 3 272.377 2.922 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(C)cs2)CC1 ZINC000106252967 261323799 /nfs/dbraw/zinc/32/37/99/261323799.db2.gz SPDAVIMBVOSFIM-UHFFFAOYSA-N 0 3 294.424 2.614 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2C)CC1 ZINC000106275348 261324435 /nfs/dbraw/zinc/32/44/35/261324435.db2.gz HZNQWJSQIQGRNR-AWEZNQCLSA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@H](N(C)CC(=O)N(C)C1(C#N)CCCCC1)C1(C)CC1 ZINC000177219256 261340182 /nfs/dbraw/zinc/34/01/82/261340182.db2.gz RPKBTTDORMFYNN-AWEZNQCLSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCNCc1cccc(I)c1 ZINC000307965574 261414452 /nfs/dbraw/zinc/41/44/52/261414452.db2.gz QRCGBACEHNDZQL-UHFFFAOYSA-N 0 3 273.117 2.567 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106341338 261834740 /nfs/dbraw/zinc/83/47/40/261834740.db2.gz UYALMQNCQLIGEC-GASCZTMLSA-N 0 3 293.455 2.714 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000185711451 262068015 /nfs/dbraw/zinc/06/80/15/262068015.db2.gz ZKFBGZOWPBBOIW-HOCLYGCPSA-N 0 3 284.407 2.854 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc3c(c2)OCCO3)C1 ZINC000185758318 262069057 /nfs/dbraw/zinc/06/90/57/262069057.db2.gz VMHBYAKPBWQRNJ-JSGCOSHPSA-N 0 3 272.348 2.630 20 30 CFEDHN CCNC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185778964 262070026 /nfs/dbraw/zinc/07/00/26/262070026.db2.gz PMAFSPIQVZCTOK-HOCLYGCPSA-N 0 3 285.391 2.608 20 30 CFEDHN N#C[C@H]1CCC[C@H](NC[C@H](O)c2ccccc2F)C1 ZINC000185793297 262071876 /nfs/dbraw/zinc/07/18/76/262071876.db2.gz YIYKARZOBQWKEN-HUBLWGQQSA-N 0 3 262.328 2.531 20 30 CFEDHN CC#CCN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497189437 262094603 /nfs/dbraw/zinc/09/46/03/262094603.db2.gz GXRMEVHEEHXNFU-UHFFFAOYSA-N 0 3 280.412 2.589 20 30 CFEDHN CC#CCCN1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 ZINC000364021552 262104407 /nfs/dbraw/zinc/10/44/07/262104407.db2.gz FJZKEPUDHXZWRH-ZDUSSCGKSA-N 0 3 291.420 2.515 20 30 CFEDHN CN(C[C@@H]1CCCN1CCCC#N)c1ccccc1 ZINC000364043548 262117717 /nfs/dbraw/zinc/11/77/17/262117717.db2.gz UXGNTEMWWWFZOQ-INIZCTEOSA-N 0 3 257.381 2.891 20 30 CFEDHN C=CC1CCN(CC(=O)N(C(C)C)C(C)C)CC1 ZINC000111256754 262258099 /nfs/dbraw/zinc/25/80/99/262258099.db2.gz OYXCATWZCXKECN-UHFFFAOYSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000111257536 262258140 /nfs/dbraw/zinc/25/81/40/262258140.db2.gz ZOSAFVOPWYLMMS-GFCCVEGCSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000111260347 262258818 /nfs/dbraw/zinc/25/88/18/262258818.db2.gz OIZBDRXXEXHXSP-QGZVFWFLSA-N 0 3 284.403 2.904 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1CCC1 ZINC000111296495 262260231 /nfs/dbraw/zinc/26/02/31/262260231.db2.gz OBPHNNOVMKVFSE-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@H]3CCN(C)[C@H]3C2)CCCCC1 ZINC000364998284 262266859 /nfs/dbraw/zinc/26/68/59/262266859.db2.gz AENJVTAQIYNLPI-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C)cc1Br ZINC000184287848 262276784 /nfs/dbraw/zinc/27/67/84/262276784.db2.gz DRVLZFJSBSXUKH-LBPRGKRZSA-N 0 3 284.197 2.784 20 30 CFEDHN C=CCCC1(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000354592511 262276813 /nfs/dbraw/zinc/27/68/13/262276813.db2.gz DEZUBMLAIJJFPU-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000186686349 262320339 /nfs/dbraw/zinc/32/03/39/262320339.db2.gz ACPHGWOZYQXTFB-MNOVXSKESA-N 0 3 271.307 2.876 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000186718004 262320372 /nfs/dbraw/zinc/32/03/72/262320372.db2.gz NTAGRJFRYPPVJF-ZYHUDNBSSA-N 0 3 271.307 2.876 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)CC1(N(C)C)CCC1 ZINC000186820926 262325808 /nfs/dbraw/zinc/32/58/08/262325808.db2.gz ZPPJGJUCHYLVEE-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN C[C@@H](CCCCNC(=O)OC(C)(C)C)NCCC#N ZINC000390813277 262348529 /nfs/dbraw/zinc/34/85/29/262348529.db2.gz ZJEVMKFCPZMMGL-LBPRGKRZSA-N 0 3 269.389 2.573 20 30 CFEDHN COC[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000365266580 262356454 /nfs/dbraw/zinc/35/64/54/262356454.db2.gz XAYIECOZURYUII-KRWDZBQOSA-N 0 3 257.377 2.787 20 30 CFEDHN CCCN(CCN[C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496831564 262356847 /nfs/dbraw/zinc/35/68/47/262356847.db2.gz XDTLEQNHGOSVLU-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCCCCCN1CCCN(C(=O)CC)CC1 ZINC000365491953 262367052 /nfs/dbraw/zinc/36/70/52/262367052.db2.gz PLJXSPFCNBTVRZ-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN C=CC1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000111838600 262377522 /nfs/dbraw/zinc/37/75/22/262377522.db2.gz FHCYEOKBJIQRRJ-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2ccc(C)cc2)C1=O ZINC000337183626 262434935 /nfs/dbraw/zinc/43/49/35/262434935.db2.gz NVQFYNIDVXPPEB-JKSUJKDBSA-N 0 3 272.392 2.823 20 30 CFEDHN CC(C#N)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000338202461 262513815 /nfs/dbraw/zinc/51/38/15/262513815.db2.gz CTGFEPLNUZNOSG-UWJCENJNSA-N 0 3 260.381 2.821 20 30 CFEDHN COc1cc2c(cc1OC)CCN([C@@H](C)CCC#N)CC2 ZINC000411185917 262682566 /nfs/dbraw/zinc/68/25/66/262682566.db2.gz OJVAZISZJIWNAW-ZDUSSCGKSA-N 0 3 288.391 2.797 20 30 CFEDHN Cn1cnc2cc(CN3CCC(C)(C#N)CC3)ccc21 ZINC000272540617 263006373 /nfs/dbraw/zinc/00/63/73/263006373.db2.gz PBJNKDOGHJRIBT-UHFFFAOYSA-N 0 3 268.364 2.699 20 30 CFEDHN Cn1cc(CNCCCC#N)c(C2CCCCC2)n1 ZINC000273095159 263012539 /nfs/dbraw/zinc/01/25/39/263012539.db2.gz ULYJPISZGUJPJR-UHFFFAOYSA-N 0 3 260.385 2.861 20 30 CFEDHN COCCOc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000273260634 263014702 /nfs/dbraw/zinc/01/47/02/263014702.db2.gz MXHBCCHQAXJYOU-CYBMUJFWSA-N 0 3 262.353 2.666 20 30 CFEDHN CCOc1ccc([C@@H](C)NCCCC#N)cc1[N+](=O)[O-] ZINC000273267345 263014750 /nfs/dbraw/zinc/01/47/50/263014750.db2.gz OAHNIOXTHKWJMN-LLVKDONJSA-N 0 3 277.324 2.948 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274630030 263028270 /nfs/dbraw/zinc/02/82/70/263028270.db2.gz ONPXETBFBCUSKE-YWPYICTPSA-N 0 3 283.375 2.548 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000277979034 263044849 /nfs/dbraw/zinc/04/48/49/263044849.db2.gz QMXRZKKVKVXJPZ-MRXNPFEDSA-N 0 3 299.418 2.903 20 30 CFEDHN CCCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279498030 263055963 /nfs/dbraw/zinc/05/59/63/263055963.db2.gz QBYUQXGVGCMGEU-MRXNPFEDSA-N 0 3 283.375 2.937 20 30 CFEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280383341 263061090 /nfs/dbraw/zinc/06/10/90/263061090.db2.gz KAUNZSCZBIOABV-SUMWQHHRSA-N 0 3 295.386 2.935 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282185411 263074887 /nfs/dbraw/zinc/07/48/87/263074887.db2.gz FYBUFPBVPHTBBM-NEPJUHHUSA-N 0 3 253.349 2.917 20 30 CFEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000340155158 263079988 /nfs/dbraw/zinc/07/99/88/263079988.db2.gz JPCLFBJPWAALRQ-CRAIPNDOSA-N 0 3 298.430 2.899 20 30 CFEDHN CN1CC[C@H](NCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000284400496 263086605 /nfs/dbraw/zinc/08/66/05/263086605.db2.gz WIIFZANXRGLKJS-GJZGRUSLSA-N 0 3 279.334 2.603 20 30 CFEDHN Cc1noc(C)c1C(C)(C)NCCCSCC#N ZINC000285599836 263094634 /nfs/dbraw/zinc/09/46/34/263094634.db2.gz JQWIOZMEPZDFLL-UHFFFAOYSA-N 0 3 267.398 2.763 20 30 CFEDHN C[C@@H]1[C@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000288251425 263103843 /nfs/dbraw/zinc/10/38/43/263103843.db2.gz OTPZGSCPAURIPV-GDBMZVCRSA-N 0 3 299.418 2.705 20 30 CFEDHN COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1[O-] ZINC000289373578 263109663 /nfs/dbraw/zinc/10/96/63/263109663.db2.gz BMNRRPFRHRZDBI-DGCLKSJQSA-N 0 3 260.337 2.573 20 30 CFEDHN COc1ccc(OCCN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000293658231 263146437 /nfs/dbraw/zinc/14/64/37/263146437.db2.gz YMGYWBKUCFDJFJ-ZIAGYGMSSA-N 0 3 274.364 2.698 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ncccc3F)CC2)C1 ZINC000293683925 263146764 /nfs/dbraw/zinc/14/67/64/263146764.db2.gz ATEAJTBCJINDHH-CHWSQXEVSA-N 0 3 289.354 2.756 20 30 CFEDHN CC[C@H](NCCCC#N)c1ccc(C(=O)OC)cc1 ZINC000293964308 263153502 /nfs/dbraw/zinc/15/35/02/263153502.db2.gz AGPOHDBGKDUKQM-AWEZNQCLSA-N 0 3 260.337 2.818 20 30 CFEDHN Cc1cnccc1OC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000294182575 263156996 /nfs/dbraw/zinc/15/69/96/263156996.db2.gz QOAPHHGWUGBUCU-LSDHHAIUSA-N 0 3 285.391 2.926 20 30 CFEDHN CCn1nccc1C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000294280759 263159298 /nfs/dbraw/zinc/15/92/98/263159298.db2.gz VZJAPCOPBZGBBX-HIFRSBDPSA-N 0 3 272.396 2.775 20 30 CFEDHN Cc1ccc2nc(CN[C@H]3CC[C@@H](CC#N)C3)cn2c1 ZINC000295135032 263173109 /nfs/dbraw/zinc/17/31/09/263173109.db2.gz YRDLQZFNLWTFRE-KBPBESRZSA-N 0 3 268.364 2.815 20 30 CFEDHN C[C@@H]1[C@H](O)CCCN1Cc1ccccc1C(C)(C)C#N ZINC000296429208 263191523 /nfs/dbraw/zinc/19/15/23/263191523.db2.gz WAFWSZUWNKPXBW-CZUORRHYSA-N 0 3 272.392 2.833 20 30 CFEDHN C[C@@H]1C[C@@H](NCC2CCC(C#N)CC2)c2nccn21 ZINC000296609572 263194226 /nfs/dbraw/zinc/19/42/26/263194226.db2.gz YIDNDEFEEAUOGP-BLYZHGLHSA-N 0 3 258.369 2.808 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000299164550 263232892 /nfs/dbraw/zinc/23/28/92/263232892.db2.gz XRUACIVQZQZYAQ-RYUDHWBXSA-N 0 3 271.364 2.548 20 30 CFEDHN C[C@@H](CC#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299698050 263252989 /nfs/dbraw/zinc/25/29/89/263252989.db2.gz ZDPODGZHRNQQNW-AWEZNQCLSA-N 0 3 285.391 2.704 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353626668 263277199 /nfs/dbraw/zinc/27/71/99/263277199.db2.gz YJWMHMDKFPJMEI-UKRRQHHQSA-N 0 3 277.412 2.805 20 30 CFEDHN C=CC[C@@H](C)NCc1cc(OC)ccc1OCOC ZINC000119841057 263279581 /nfs/dbraw/zinc/27/95/81/263279581.db2.gz YZQPPGTXXHXPIE-GFCCVEGCSA-N 0 3 265.353 2.732 20 30 CFEDHN C=C(C)COc1cc(CN[C@]2(C)CCOC2)ccc1OC ZINC000120126852 263281064 /nfs/dbraw/zinc/28/10/64/263281064.db2.gz YTWYWXAPTPTLIS-QGZVFWFLSA-N 0 3 291.391 2.919 20 30 CFEDHN C=CCN(CCc1ccccc1)CC[C@@H]1CCOC1=O ZINC000120283291 263284791 /nfs/dbraw/zinc/28/47/91/263284791.db2.gz ZPYKSRVFXOSKDX-MRXNPFEDSA-N 0 3 273.376 2.670 20 30 CFEDHN CC[C@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000340684285 263286677 /nfs/dbraw/zinc/28/66/77/263286677.db2.gz XASGNNKHXJGUMF-AWEZNQCLSA-N 0 3 277.412 2.546 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N(CC)CC(=C)C ZINC000121039325 263290229 /nfs/dbraw/zinc/29/02/29/263290229.db2.gz BOWJUOUIZNZTRQ-AWEZNQCLSA-N 0 3 252.402 2.698 20 30 CFEDHN C=CCN(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121180172 263291063 /nfs/dbraw/zinc/29/10/63/263291063.db2.gz MRLDUDPUOQBTKX-ZDUSSCGKSA-N 0 3 273.298 2.727 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000121426135 263294924 /nfs/dbraw/zinc/29/49/24/263294924.db2.gz LKBZWUCWAGUMQR-UHFFFAOYSA-N 0 3 262.353 2.532 20 30 CFEDHN C=C(CC)CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340868168 263309677 /nfs/dbraw/zinc/30/96/77/263309677.db2.gz AAJOKLIHYSWQQL-ZDUSSCGKSA-N 0 3 260.385 2.759 20 30 CFEDHN C=C(CC)CN[C@H](CC(=O)N(C)C)c1ccccc1 ZINC000341447583 263335757 /nfs/dbraw/zinc/33/57/57/263335757.db2.gz DDVBHJZLMUJYCQ-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN C=CCN(CCc1ccccc1)CCn1cc(C)cn1 ZINC000341838410 263357336 /nfs/dbraw/zinc/35/73/36/263357336.db2.gz YTYXBSPHNFZLRJ-UHFFFAOYSA-N 0 3 269.392 2.922 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(F)ccc1F ZINC000341886635 263363202 /nfs/dbraw/zinc/36/32/02/263363202.db2.gz OAEGVOJYSJYAGV-MNOVXSKESA-N 0 3 255.308 2.800 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(C)ccc1OC ZINC000341891006 263364321 /nfs/dbraw/zinc/36/43/21/263364321.db2.gz UPFWWIMEGVBJPC-KGLIPLIRSA-N 0 3 263.381 2.839 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](CC(C)C)c1ccccn1 ZINC000341894279 263366313 /nfs/dbraw/zinc/36/63/13/263366313.db2.gz ZSPQJXDQMFTYBB-HOCLYGCPSA-N 0 3 262.397 2.943 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(CC(F)(F)F)CC1 ZINC000341974172 263373014 /nfs/dbraw/zinc/37/30/14/263373014.db2.gz HLIRFBOSUSRHAL-LBPRGKRZSA-N 0 3 265.319 2.978 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000342009777 263377173 /nfs/dbraw/zinc/37/71/73/263377173.db2.gz BSWUDSPDPSEXJE-CABCVRRESA-N 0 3 264.413 2.676 20 30 CFEDHN COCC1(C#N)CCN([C@@H](C)c2ccccc2)CC1 ZINC000341985941 263380904 /nfs/dbraw/zinc/38/09/04/263380904.db2.gz YCIXKLFIJUKLPB-AWEZNQCLSA-N 0 3 258.365 3.000 20 30 CFEDHN COCCCCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000416340095 263695935 /nfs/dbraw/zinc/69/59/35/263695935.db2.gz QHAMTYWZRBIMGZ-MRXNPFEDSA-N 0 3 288.391 2.644 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000416676786 263744682 /nfs/dbraw/zinc/74/46/82/263744682.db2.gz DADRCFJOKCBVHD-HUUCEWRRSA-N 0 3 293.455 2.761 20 30 CFEDHN CC(C)C[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330745970 264028488 /nfs/dbraw/zinc/02/84/88/264028488.db2.gz FKDMDTJNJATNQN-GOEBONIOSA-N 0 3 279.428 2.551 20 30 CFEDHN CCc1nc(C(=O)NCCN2CCCC[C@H]2CC)co1 ZINC000330802158 264042036 /nfs/dbraw/zinc/04/20/36/264042036.db2.gz APTGXKADQOCLAO-GFCCVEGCSA-N 0 3 279.384 2.806 20 30 CFEDHN CCC1CCC(N(C)CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330786126 264053707 /nfs/dbraw/zinc/05/37/07/264053707.db2.gz MRHACKCHGCEXHV-DQPZFDDXSA-N 0 3 293.455 2.941 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330899046 264079196 /nfs/dbraw/zinc/07/91/96/264079196.db2.gz IRMCKWFMHFNQDY-VXGBXAGGSA-N 0 3 291.351 2.691 20 30 CFEDHN Cc1noc(C)c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330966042 264090485 /nfs/dbraw/zinc/09/04/85/264090485.db2.gz LCLKEYGBWDXDRA-UHFFFAOYSA-N 0 3 279.384 2.718 20 30 CFEDHN CCN1CCC[C@@H](NC(=O)c2ccc(NC(C)C)nc2)C1 ZINC000331069413 264113046 /nfs/dbraw/zinc/11/30/46/264113046.db2.gz BLVNBBBEVSFNIG-CQSZACIVSA-N 0 3 290.411 2.691 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425355074 264128028 /nfs/dbraw/zinc/12/80/28/264128028.db2.gz TXHORUUPZLYHPX-MRXNPFEDSA-N 0 3 298.390 2.680 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000126219832 264209826 /nfs/dbraw/zinc/20/98/26/264209826.db2.gz JCVOYUMTQLBWPI-HUUCEWRRSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000076911706 264349777 /nfs/dbraw/zinc/34/97/77/264349777.db2.gz WNLCOGDCDDRESB-OAHLLOKOSA-N 0 3 273.380 2.849 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000442783234 264973753 /nfs/dbraw/zinc/97/37/53/264973753.db2.gz PQVRLQQVNIEWLZ-ZFWWWQNUSA-N 0 3 271.364 2.652 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)[C@@H]2C)cc1 ZINC000347276481 265127258 /nfs/dbraw/zinc/12/72/58/265127258.db2.gz LDUQINUHLRDQDK-XJKSGUPXSA-N 0 3 289.375 2.635 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccccc1CC#N ZINC000519180104 265358579 /nfs/dbraw/zinc/35/85/79/265358579.db2.gz IWIWTARGUQZRQS-GFCCVEGCSA-N 0 3 273.380 2.858 20 30 CFEDHN C=CC1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000114274618 266069422 /nfs/dbraw/zinc/06/94/22/266069422.db2.gz DPINZPWBYYHGGI-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN CN(C)C1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000356957284 266218672 /nfs/dbraw/zinc/21/86/72/266218672.db2.gz WRIXARUSZIJAHI-UHFFFAOYSA-N 0 3 299.418 2.702 20 30 CFEDHN CC[C@H]1CC[C@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000357524219 266315556 /nfs/dbraw/zinc/31/55/56/266315556.db2.gz BLIMNPZYWUBTHN-GJZGRUSLSA-N 0 3 291.439 2.934 20 30 CFEDHN CC(C#N)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000357810820 266370083 /nfs/dbraw/zinc/37/00/83/266370083.db2.gz XQYYFXITHOCIIP-LBPRGKRZSA-N 0 3 274.364 2.639 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000358798220 266493142 /nfs/dbraw/zinc/49/31/42/266493142.db2.gz ZQLPAMLGDTUDOQ-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN CCCO[C@H]1CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000514871264 267026788 /nfs/dbraw/zinc/02/67/88/267026788.db2.gz RYFUPGITZICIED-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1CCC1CCCC1 ZINC000362953308 267065212 /nfs/dbraw/zinc/06/52/12/267065212.db2.gz YMPJNCZAYVNZGB-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115554642 267099118 /nfs/dbraw/zinc/09/91/18/267099118.db2.gz VRQLZXTUYFXKOE-OFQRWUPVSA-N 0 3 272.392 2.555 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000368041056 267140971 /nfs/dbraw/zinc/14/09/71/267140971.db2.gz KIXRPWJJMQVNBR-INIZCTEOSA-N 0 3 293.370 2.918 20 30 CFEDHN C=C(C)CN(CCOC)[C@@H]1CCCc2cccnc21 ZINC000368375239 267167590 /nfs/dbraw/zinc/16/75/90/267167590.db2.gz SWNMCLYKUQSVNG-OAHLLOKOSA-N 0 3 260.381 2.984 20 30 CFEDHN CC#CCCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000368485059 267176688 /nfs/dbraw/zinc/17/66/88/267176688.db2.gz DQTJDKSSAZBVQT-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCCCCNc1ccncc1-c1cccnc1 ZINC000368546956 267182912 /nfs/dbraw/zinc/18/29/12/267182912.db2.gz YLYLSTBSSQWXHE-UHFFFAOYSA-N 0 3 251.333 2.781 20 30 CFEDHN C#Cc1ccc(CN2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000368566796 267186139 /nfs/dbraw/zinc/18/61/39/267186139.db2.gz JXGQRMAGFYQLRO-SFHVURJKSA-N 0 3 296.414 2.645 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368590918 267188921 /nfs/dbraw/zinc/18/89/21/267188921.db2.gz LNPVYBNBWRYNMX-HUUCEWRRSA-N 0 3 266.429 2.900 20 30 CFEDHN C=CCC[C@H](O)CN1CC=C(c2cnccc2C)CC1 ZINC000368841292 267208802 /nfs/dbraw/zinc/20/88/02/267208802.db2.gz DPTSDHDAKMRZIU-INIZCTEOSA-N 0 3 272.392 2.806 20 30 CFEDHN C#CCCCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000368904481 267211421 /nfs/dbraw/zinc/21/14/21/267211421.db2.gz KKCKYRRGJHHBMV-QGZVFWFLSA-N 0 3 284.403 2.523 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000338037341 267276077 /nfs/dbraw/zinc/27/60/77/267276077.db2.gz CGHLMJDLSJXPST-INIZCTEOSA-N 0 3 299.418 2.717 20 30 CFEDHN CC(=O)N1CC[C@H](NCC2(CC#N)CC2)c2ccccc2C1 ZINC000370204156 267299280 /nfs/dbraw/zinc/29/92/80/267299280.db2.gz NJNRCGJOLDPQDT-KRWDZBQOSA-N 0 3 297.402 2.763 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC(NC(=O)C2CC2)CC1 ZINC000370501203 267325179 /nfs/dbraw/zinc/32/51/79/267325179.db2.gz WEVDWHJQQZXBFI-UHFFFAOYSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418139519 267361914 /nfs/dbraw/zinc/36/19/14/267361914.db2.gz GUSYIGPFEYEGTO-HOCLYGCPSA-N 0 3 289.423 2.903 20 30 CFEDHN Cc1cc([C@H]2CCCN(CCC(C)(C)C#N)C2)n[nH]1 ZINC000371206477 267370824 /nfs/dbraw/zinc/37/08/24/267370824.db2.gz GJUVLTAEZNYTKE-ZDUSSCGKSA-N 0 3 260.385 2.837 20 30 CFEDHN Cc1cc([C@H]2CCCN(CCC(C)(C)C#N)C2)[nH]n1 ZINC000371206477 267370826 /nfs/dbraw/zinc/37/08/26/267370826.db2.gz GJUVLTAEZNYTKE-ZDUSSCGKSA-N 0 3 260.385 2.837 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418153669 267371519 /nfs/dbraw/zinc/37/15/19/267371519.db2.gz WPQMTUGVYORRBT-HOCLYGCPSA-N 0 3 287.407 2.527 20 30 CFEDHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000373223788 267651637 /nfs/dbraw/zinc/65/16/37/267651637.db2.gz LFCAKSITZIATTI-CLWVCHIJSA-N 0 3 289.379 2.621 20 30 CFEDHN Cc1ccccc1[C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000123188299 268005972 /nfs/dbraw/zinc/00/59/72/268005972.db2.gz JDPWWOYZJKSHJC-PBHICJAKSA-N 0 3 287.407 2.700 20 30 CFEDHN CC(C)(C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000376648482 268006214 /nfs/dbraw/zinc/00/62/14/268006214.db2.gz IZDBPMKLXGTGMI-UHFFFAOYSA-N 0 3 257.381 2.985 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COCc1ccccc1Cl ZINC000305842585 268008799 /nfs/dbraw/zinc/00/87/99/268008799.db2.gz ZXUIXNQHTMBDSW-CQSZACIVSA-N 0 3 283.799 2.725 20 30 CFEDHN Cc1cc(NC[C@@H]2CCN2C2CCCC2)cc(C#N)n1 ZINC000528212215 268012084 /nfs/dbraw/zinc/01/20/84/268012084.db2.gz RXHWAFGFMBJSDJ-INIZCTEOSA-N 0 3 270.380 2.691 20 30 CFEDHN Cn1cc(CN[C@@H]2CCc3ccc(F)cc32)cc1C#N ZINC000516902027 268129092 /nfs/dbraw/zinc/12/90/92/268129092.db2.gz PKXKRFOFGSHUSG-MRXNPFEDSA-N 0 3 269.323 2.813 20 30 CFEDHN Cn1ncc2ccc(CNCc3cc(C#N)cs3)cc21 ZINC000517003979 268135577 /nfs/dbraw/zinc/13/55/77/268135577.db2.gz ZWWQJQOQZNZNAZ-UHFFFAOYSA-N 0 3 282.372 2.796 20 30 CFEDHN CN(CCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000042123090 270227513 /nfs/dbraw/zinc/22/75/13/270227513.db2.gz HDIQTPUUFOHBOY-UHFFFAOYSA-N 0 3 274.364 2.722 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289685829 273487462 /nfs/dbraw/zinc/48/74/62/273487462.db2.gz HYQPFDCFUPSMDM-CABZTGNLSA-N 0 3 259.271 2.903 20 30 CFEDHN COc1cc(C#N)ccc1CN(CCO)C1CCCCC1 ZINC000270991298 274090932 /nfs/dbraw/zinc/09/09/32/274090932.db2.gz DYBDYXDOEXTKAV-UHFFFAOYSA-N 0 3 288.391 2.694 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1 ZINC000153064064 274258151 /nfs/dbraw/zinc/25/81/51/274258151.db2.gz SVENIDMNYRPBTQ-RHSMWYFYSA-N 0 3 292.386 2.883 20 30 CFEDHN C[C@@H]1CC[C@@H](CN2CCCN(c3ccc(C#N)cc3)CC2)O1 ZINC000365072156 274311565 /nfs/dbraw/zinc/31/15/65/274311565.db2.gz OPSNHFZBLQAGFR-QAPCUYQASA-N 0 3 299.418 2.638 20 30 CFEDHN C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1 ZINC000420249396 274360352 /nfs/dbraw/zinc/36/03/52/274360352.db2.gz XORLWYQVYXAOPX-SNVBAGLBSA-N 0 3 286.766 2.558 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2c(C#N)nnc3ccccc32)CN1C1CC1 ZINC000267867638 274394753 /nfs/dbraw/zinc/39/47/53/274394753.db2.gz KNKPFZHGLOFUMK-VXGBXAGGSA-N 0 3 293.374 2.539 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC000286417261 274621424 /nfs/dbraw/zinc/62/14/24/274621424.db2.gz QTCKJXKDCYDKOD-AAEUAGOBSA-N 0 3 290.798 2.670 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C=C[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000352842963 274922958 /nfs/dbraw/zinc/92/29/58/274922958.db2.gz PPRCCKCRDLQOAV-DGCLKSJQSA-N 0 3 296.292 2.604 20 30 CFEDHN N#Cc1ccc(N2C[C@H]3CCC[C@@H](C2)N3)cc1Cl ZINC000334992000 274925193 /nfs/dbraw/zinc/92/51/93/274925193.db2.gz GOFPMNOQVBUBBL-TXEJJXNPSA-N 0 3 261.756 2.542 20 30 CFEDHN OCC[C@@H]1CCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000348153870 275047678 /nfs/dbraw/zinc/04/76/78/275047678.db2.gz UVIUWUWPABBPHG-HOCLYGCPSA-N 0 3 277.795 2.832 20 30 CFEDHN CC(C)[C@H](Cn1cccn1)NCc1ccc(C#N)c(F)c1 ZINC000404753449 275701929 /nfs/dbraw/zinc/70/19/29/275701929.db2.gz JILBFNFCVKYXDJ-INIZCTEOSA-N 0 3 286.354 2.708 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)[C@H](CC)N(CC)CC ZINC000343523985 275742829 /nfs/dbraw/zinc/74/28/29/275742829.db2.gz MAFPFOSKIKUHHU-KBPBESRZSA-N 0 3 254.418 2.968 20 30 CFEDHN CC1(C)OCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451247995 275881311 /nfs/dbraw/zinc/88/13/11/275881311.db2.gz YMJVGAQNABASRF-ZDUSSCGKSA-N 0 3 296.317 2.817 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302210436 276158208 /nfs/dbraw/zinc/15/82/08/276158208.db2.gz MEWSFRKKPXHOOZ-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN CCN1C[C@H](C)N(c2cccc(F)c2C#N)C[C@@H]1C ZINC000345177602 276250996 /nfs/dbraw/zinc/25/09/96/276250996.db2.gz VLALZBHMOKQLGL-RYUDHWBXSA-N 0 3 261.344 2.616 20 30 CFEDHN CC(=O)N[C@H](C)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000331142698 277053009 /nfs/dbraw/zinc/05/30/09/277053009.db2.gz UXUMDNWTGHRJAG-ZIAGYGMSSA-N 0 3 299.418 2.856 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3c(F)cc(C#N)cc3F)C2)C1 ZINC000292631076 277072539 /nfs/dbraw/zinc/07/25/39/277072539.db2.gz AETFRRMVFXRTIY-MRXNPFEDSA-N 0 3 291.345 2.759 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ccc4cc(C#N)ccc4n3)[C@H]2C1 ZINC000361069239 277146967 /nfs/dbraw/zinc/14/69/67/277146967.db2.gz SIIRRUAGXXPPQL-PBHICJAKSA-N 0 3 292.386 2.637 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCCC12CCN(C)CC2 ZINC000366991978 277886522 /nfs/dbraw/zinc/88/65/22/277886522.db2.gz VNOYAAXAJAFXSY-AWEZNQCLSA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@@H]1COCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000277502115 277941288 /nfs/dbraw/zinc/94/12/88/277941288.db2.gz PNSTWTLJAUHMJT-DOMZBBRYSA-N 0 3 263.768 2.706 20 30 CFEDHN CC1(C)CCC([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330259943 278192221 /nfs/dbraw/zinc/19/22/21/278192221.db2.gz SKDHBXVYWQCWOC-ZDUSSCGKSA-N 0 3 290.411 2.670 20 30 CFEDHN CC1(C)CCC(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330259943 278192223 /nfs/dbraw/zinc/19/22/23/278192223.db2.gz SKDHBXVYWQCWOC-ZDUSSCGKSA-N 0 3 290.411 2.670 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293341267 278306571 /nfs/dbraw/zinc/30/65/71/278306571.db2.gz HCKZIFSRDFIUDP-HZSPNIEDSA-N 0 3 257.381 2.644 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360068417 278462662 /nfs/dbraw/zinc/46/26/62/278462662.db2.gz IZHIBVXTEHBIFT-FRFSOERESA-N 0 3 299.418 2.891 20 30 CFEDHN CC[C@H](N[C@@H](C)CN1CCCC1=O)c1ccc(C#N)cc1 ZINC000278175608 288058732 /nfs/dbraw/zinc/05/87/32/288058732.db2.gz CVCIRLMPNZRRMO-BBRMVZONSA-N 0 3 285.391 2.610 20 30 CFEDHN CCN(C)C(=O)[C@@H](C)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360883386 279024441 /nfs/dbraw/zinc/02/44/41/279024441.db2.gz JROPFRHVHCARTA-DYVFJYSZSA-N 0 3 299.418 2.782 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1CCC1(C#N)CCCCC1 ZINC000334798087 288100099 /nfs/dbraw/zinc/10/00/99/288100099.db2.gz UMWGLNVNPKVYGG-LSDHHAIUSA-N 0 3 263.429 2.875 20 30 CFEDHN CCN(CCCN1CCC(C)(C#N)CC1)CC(F)(F)F ZINC000355048794 279179743 /nfs/dbraw/zinc/17/97/43/279179743.db2.gz JZKPDUBRILLEMT-UHFFFAOYSA-N 0 3 291.361 2.886 20 30 CFEDHN C[C@]1(CN[C@H]2CC[C@@H](C#N)C2)OCCc2sccc21 ZINC000353610128 280159701 /nfs/dbraw/zinc/15/97/01/280159701.db2.gz LPAFBVRNMYIWRE-TYNCELHUSA-N 0 3 276.405 2.818 20 30 CFEDHN CC[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447580629 280193021 /nfs/dbraw/zinc/19/30/21/280193021.db2.gz PNQKGYVIOOSUSV-CHWSQXEVSA-N 0 3 286.297 2.912 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@H]1C(=O)OC(C)(C)C ZINC000332394097 288250093 /nfs/dbraw/zinc/25/00/93/288250093.db2.gz SFJIRJHBBDPQJU-XJFOESAGSA-N 0 3 278.396 2.588 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000133950015 280751562 /nfs/dbraw/zinc/75/15/62/280751562.db2.gz CIBSJFCGWLUCHU-ZIAGYGMSSA-N 0 3 256.349 2.799 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@H]2CCCO[C@H]21 ZINC000246392424 280983839 /nfs/dbraw/zinc/98/38/39/280983839.db2.gz PLWDPBXRNXGYSX-FVQBIDKESA-N 0 3 288.366 2.991 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000354199693 281283267 /nfs/dbraw/zinc/28/32/67/281283267.db2.gz HDOTULIUFSSAFR-GDBMZVCRSA-N 0 3 279.428 2.553 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1cncc(C#N)n1)N(C)C ZINC000420636282 281362010 /nfs/dbraw/zinc/36/20/10/281362010.db2.gz MDPAXCDMANJQFJ-SUMWQHHRSA-N 0 3 295.390 2.760 20 30 CFEDHN CC1(C)C[C@]1(C#N)NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000330309025 281367729 /nfs/dbraw/zinc/36/77/29/281367729.db2.gz MPXNJYHHNJNRNT-SWLSCSKDSA-N 0 3 261.369 2.510 20 30 CFEDHN C[C@@](O)(CN[C@@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000553335930 281875414 /nfs/dbraw/zinc/87/54/14/281875414.db2.gz ZYKCOTGUMNVYLM-ZIAGYGMSSA-N 0 3 298.308 2.839 20 30 CFEDHN C[C@H]1CCC[C@@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC000562362344 282077337 /nfs/dbraw/zinc/07/73/37/282077337.db2.gz OWSOILZOUPPDLH-JKSUJKDBSA-N 0 3 298.434 2.902 20 30 CFEDHN COC(C)(C)CN(C)Cc1ccc(F)c(C#N)c1 ZINC000404349255 290029008 /nfs/dbraw/zinc/02/90/08/290029008.db2.gz JQWZPLAXMPMIAG-UHFFFAOYSA-N 0 3 250.317 2.554 20 30 CFEDHN N#Cc1ccc(CN2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000563210538 290118485 /nfs/dbraw/zinc/11/84/85/290118485.db2.gz GHJBLUQMWUQRDI-UHFFFAOYSA-N 0 3 271.320 2.985 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2c2ncc(C#N)cc2Cl)C1 ZINC000269076282 290244271 /nfs/dbraw/zinc/24/42/71/290244271.db2.gz CCKRXNIZRYDUDO-OCCSQVGLSA-N 0 3 290.798 2.527 20 30 CFEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)cn1 ZINC000565606376 290313486 /nfs/dbraw/zinc/31/34/86/290313486.db2.gz BQPBMKJHXARMLH-CYBMUJFWSA-N 0 3 281.359 2.722 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085456353 782056643 /nfs/dbraw/zinc/05/66/43/782056643.db2.gz IBRWTNOTMIQPLV-HNNXBMFYSA-N 0 3 276.355 2.548 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085464228 782065646 /nfs/dbraw/zinc/06/56/46/782065646.db2.gz XUQMHACFQDETAL-MRXNPFEDSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001085476604 782073613 /nfs/dbraw/zinc/07/36/13/782073613.db2.gz DRENVCWLGDMBGH-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085490409 782079396 /nfs/dbraw/zinc/07/93/96/782079396.db2.gz XGZAAZJKCXGPKZ-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085490409 782079403 /nfs/dbraw/zinc/07/94/03/782079403.db2.gz XGZAAZJKCXGPKZ-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN Cc1cc([C@](C)(O)CN[C@H]2CCC[C@H](C#N)C2)c(C)o1 ZINC000185843478 327847513 /nfs/dbraw/zinc/84/75/13/327847513.db2.gz XCCCGDSDLRHISR-OFQRWUPVSA-N 0 3 276.380 2.776 20 30 CFEDHN N#CCCC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000563069780 327875309 /nfs/dbraw/zinc/87/53/09/327875309.db2.gz WHQGABCEKLZZJI-UHFFFAOYSA-N 0 3 286.375 2.974 20 30 CFEDHN Cc1cnc([C@@H](C)NCCCSCC#N)s1 ZINC000184977535 327914859 /nfs/dbraw/zinc/91/48/59/327914859.db2.gz ZUVRIUMGHPCJDI-SNVBAGLBSA-N 0 3 255.412 2.749 20 30 CFEDHN N#CCCC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000563158248 327933862 /nfs/dbraw/zinc/93/38/62/327933862.db2.gz OJAAJVKFSFPQOC-UHFFFAOYSA-N 0 3 299.374 2.533 20 30 CFEDHN C=CCCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337467649 327955115 /nfs/dbraw/zinc/95/51/15/327955115.db2.gz UTBRDGWANWCPPV-MRXNPFEDSA-N 0 3 268.360 2.755 20 30 CFEDHN C=CCCCCCN1CCO[C@]2(CCCOC2)C1 ZINC000375637262 329004734 /nfs/dbraw/zinc/00/47/34/329004734.db2.gz SMXZFSDMNRUYLW-OAHLLOKOSA-N 0 3 253.386 2.614 20 30 CFEDHN C=C(C)[C@@H](CC(=O)NC[C@H](C)N1CCC(C)CC1)OCC ZINC000339391055 328009327 /nfs/dbraw/zinc/00/93/27/328009327.db2.gz KTXOKQKQRCMMOP-JKSUJKDBSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)C2CC2)CC1 ZINC000534292262 328044584 /nfs/dbraw/zinc/04/45/84/328044584.db2.gz NRABMQLKXPTGMD-UHFFFAOYSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)C1CC(C)(C)C1 ZINC000412042291 328102010 /nfs/dbraw/zinc/10/20/10/328102010.db2.gz UQFPIBDTWZCQAN-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@H]1CCOC2(CCCC2)C1 ZINC000571614965 328137742 /nfs/dbraw/zinc/13/77/42/328137742.db2.gz ULACEYIBBUYAFD-KBPBESRZSA-N 0 3 261.369 2.511 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)[C@H](CC)N(C)C ZINC000413377702 328144577 /nfs/dbraw/zinc/14/45/77/328144577.db2.gz XSFVJRPJKJVIEC-AWEZNQCLSA-N 0 3 267.417 2.505 20 30 CFEDHN Cc1cc([C@@H](C)NCCC(=O)N(C)CCC#N)ccc1F ZINC000271816928 328197647 /nfs/dbraw/zinc/19/76/47/328197647.db2.gz SQWNRWWHICWWQO-CYBMUJFWSA-N 0 3 291.370 2.547 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000274168877 328208731 /nfs/dbraw/zinc/20/87/31/328208731.db2.gz AXAFQUBHPFHBFF-GXTWGEPZSA-N 0 3 274.364 2.876 20 30 CFEDHN N#CCCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278633741 328228969 /nfs/dbraw/zinc/22/89/69/328228969.db2.gz HBZXDUOPHXUKCX-AWEZNQCLSA-N 0 3 259.309 2.866 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)C[C@@H](C)CC ZINC000177855019 329193051 /nfs/dbraw/zinc/19/30/51/329193051.db2.gz VELGZNQSJOFJDB-AWEZNQCLSA-N 0 3 254.418 2.779 20 30 CFEDHN CN(Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](C#N)C1 ZINC000278688240 328229390 /nfs/dbraw/zinc/22/93/90/328229390.db2.gz SAUGVLLFJZWYLL-DGCLKSJQSA-N 0 3 258.321 2.539 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(F)F ZINC000452681372 328269156 /nfs/dbraw/zinc/26/91/56/328269156.db2.gz ZABGNYKKMMNAPF-CHWSQXEVSA-N 0 3 280.318 2.919 20 30 CFEDHN Cc1ccc(C)n1C1CCN(CCOCCC#N)CC1 ZINC000293285640 328275233 /nfs/dbraw/zinc/27/52/33/328275233.db2.gz YQDHRRXNUULJHI-UHFFFAOYSA-N 0 3 275.396 2.672 20 30 CFEDHN CN(Cc1ccccc1N1CCOCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293417468 328275796 /nfs/dbraw/zinc/27/57/96/328275796.db2.gz IMSOREZPUVCBIB-WBVHZDCISA-N 0 3 299.418 2.647 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000353577341 328288533 /nfs/dbraw/zinc/28/85/33/328288533.db2.gz PNGIYWLOLQHPBD-CHWSQXEVSA-N 0 3 296.208 2.881 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCc2cc(Br)cc(C)c21 ZINC000353577343 328288539 /nfs/dbraw/zinc/28/85/39/328288539.db2.gz PNGIYWLOLQHPBD-QWHCGFSZSA-N 0 3 296.208 2.881 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cnccc1C ZINC001085529166 782088674 /nfs/dbraw/zinc/08/86/74/782088674.db2.gz QSCBYLBSIZUTRG-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001085541328 782093427 /nfs/dbraw/zinc/09/34/27/782093427.db2.gz WQVUKACTVJBHFJ-NRXISQOPSA-N 0 3 264.413 2.531 20 30 CFEDHN COc1ccc(C#N)cc1CN(CCCO)CC(C)(C)C ZINC000160041135 322331885 /nfs/dbraw/zinc/33/18/85/322331885.db2.gz IQGCYWVXWVJKAW-UHFFFAOYSA-N 0 3 290.407 2.797 20 30 CFEDHN C=CC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000111439362 328355346 /nfs/dbraw/zinc/35/53/46/328355346.db2.gz QXXPIDXDLXCPGD-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000572037785 322605035 /nfs/dbraw/zinc/60/50/35/322605035.db2.gz IABRMCOWWFUUHU-KGLIPLIRSA-N 0 3 297.406 2.907 20 30 CFEDHN C=CC[C@H](CO)CNCc1cccc(Cl)c1F ZINC000341260072 328405524 /nfs/dbraw/zinc/40/55/24/328405524.db2.gz BZUWLBKYRZADTL-JTQLQIEISA-N 0 3 257.736 2.753 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000174558744 323651343 /nfs/dbraw/zinc/65/13/43/323651343.db2.gz PGRYQULGDLXIIM-UHFFFAOYSA-N 0 3 297.314 2.635 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1ccccc1CNC ZINC000415904438 328430541 /nfs/dbraw/zinc/43/05/41/328430541.db2.gz RKJRNVNVYIBBHW-UHFFFAOYSA-N 0 3 261.369 2.740 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192620721 324062576 /nfs/dbraw/zinc/06/25/76/324062576.db2.gz OEZBTUSYYBAWDK-CKEIUWERSA-N 0 3 297.402 2.926 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCN1CCCC1=O ZINC000580654325 325053510 /nfs/dbraw/zinc/05/35/10/325053510.db2.gz RWRIPVHCENRXSF-KRWDZBQOSA-N 0 3 297.402 2.538 20 30 CFEDHN CCN1CCC(CNc2cc(C(C)=O)ccc2C#N)CC1 ZINC000581395960 325117311 /nfs/dbraw/zinc/11/73/11/325117311.db2.gz FZZIYYAOZQYFLS-UHFFFAOYSA-N 0 3 285.391 2.905 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000184366135 328529947 /nfs/dbraw/zinc/52/99/47/328529947.db2.gz YFQAUOXZTCUAID-VXGBXAGGSA-N 0 3 286.400 2.690 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(CC)c(F)c2)CC1 ZINC000152429067 328545617 /nfs/dbraw/zinc/54/56/17/328545617.db2.gz NEEBDRGBROVMTL-UHFFFAOYSA-N 0 3 288.366 2.672 20 30 CFEDHN CC#CCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000557530139 327011919 /nfs/dbraw/zinc/01/19/19/327011919.db2.gz GUAHTJFFHUTAIC-QGZVFWFLSA-N 0 3 255.361 2.870 20 30 CFEDHN N#CCc1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000313445855 327130872 /nfs/dbraw/zinc/13/08/72/327130872.db2.gz KLEWVPZARJENDZ-UHFFFAOYSA-N 0 3 255.365 2.791 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(Nc3ccccn3)CC2)C1 ZINC000559145695 327142971 /nfs/dbraw/zinc/14/29/71/327142971.db2.gz QAEIFYDORJJDDD-UKRRQHHQSA-N 0 3 270.380 2.650 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(Nc3ccccn3)CC2)C1 ZINC000559145691 327143013 /nfs/dbraw/zinc/14/30/13/327143013.db2.gz QAEIFYDORJJDDD-DZGCQCFKSA-N 0 3 270.380 2.650 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000566174251 327155577 /nfs/dbraw/zinc/15/55/77/327155577.db2.gz QXKUKHVJASJPIP-STQMWFEESA-N 0 3 253.386 2.862 20 30 CFEDHN CC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408169313 327181265 /nfs/dbraw/zinc/18/12/65/327181265.db2.gz MYOXVOJCFPZHAI-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000426776451 327191222 /nfs/dbraw/zinc/19/12/22/327191222.db2.gz YOHLACXEMROSRX-PNBKFKSVSA-N 0 3 291.439 2.551 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000115278958 327231707 /nfs/dbraw/zinc/23/17/07/327231707.db2.gz KYZXRZRNXWPHTA-HOTGVXAUSA-N 0 3 290.451 2.664 20 30 CFEDHN CCOC(=O)C1CCN(CC(C)(C)CCC#N)CC1 ZINC000158116658 327455201 /nfs/dbraw/zinc/45/52/01/327455201.db2.gz AUWPOMRHBDTPCN-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(F)cc1F ZINC000569802363 327548235 /nfs/dbraw/zinc/54/82/35/327548235.db2.gz BCXDRMPQTJJVNX-FZMZJTMJSA-N 0 3 253.292 2.646 20 30 CFEDHN COC1(CN2CCC(C#N)(c3ccccn3)CC2)CCCC1 ZINC000582193042 328625565 /nfs/dbraw/zinc/62/55/65/328625565.db2.gz GFUDVDHVMHJASW-UHFFFAOYSA-N 0 3 299.418 2.898 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000358324735 328882533 /nfs/dbraw/zinc/88/25/33/328882533.db2.gz XBIUMHKBOQNUHK-GHMZBOCLSA-N 0 3 262.353 2.879 20 30 CFEDHN C=CCc1cc(CNCCC#CC)cc(OC)c1O ZINC000360967953 328913322 /nfs/dbraw/zinc/91/33/22/328913322.db2.gz FXCFABZDIAZWCZ-UHFFFAOYSA-N 0 3 259.349 2.632 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](c3noc(CC)n3)C2)cc1 ZINC000377403135 329014364 /nfs/dbraw/zinc/01/43/64/329014364.db2.gz VRBWFQSCUYNSBF-MRXNPFEDSA-N 0 3 295.386 2.993 20 30 CFEDHN CN1CC[C@@H](NCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377670944 329023882 /nfs/dbraw/zinc/02/38/82/329023882.db2.gz OWSWCBHTGSIWQC-CABCVRRESA-N 0 3 277.799 2.979 20 30 CFEDHN CN1CC[C@H](NCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000377670947 329023838 /nfs/dbraw/zinc/02/38/38/329023838.db2.gz OWSWCBHTGSIWQC-LSDHHAIUSA-N 0 3 277.799 2.979 20 30 CFEDHN C#C[C@@H](C)NCc1c[nH]nc1-c1cc2ccccc2o1 ZINC000377705497 329026032 /nfs/dbraw/zinc/02/60/32/329026032.db2.gz TYZOSHXDAQMMKR-LLVKDONJSA-N 0 3 265.316 2.934 20 30 CFEDHN C#CCN1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377721993 329027134 /nfs/dbraw/zinc/02/71/34/329027134.db2.gz NGUZJDGHMPTWSB-HNNXBMFYSA-N 0 3 292.423 2.589 20 30 CFEDHN C=CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377731361 329027630 /nfs/dbraw/zinc/02/76/30/329027630.db2.gz DSWARSDXTPYTRB-JSGCOSHPSA-N 0 3 251.757 2.534 20 30 CFEDHN C=CCCCN(C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000360059596 329071102 /nfs/dbraw/zinc/07/11/02/329071102.db2.gz PWOBUSLTAKIYRH-UHFFFAOYSA-N 0 3 256.353 2.870 20 30 CFEDHN CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000582602544 329114088 /nfs/dbraw/zinc/11/40/88/329114088.db2.gz WUPSLFXZSBDCLN-CQSZACIVSA-N 0 3 295.390 2.595 20 30 CFEDHN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](c2nnc[n-]2)C1 ZINC000582602544 329114090 /nfs/dbraw/zinc/11/40/90/329114090.db2.gz WUPSLFXZSBDCLN-CQSZACIVSA-N 0 3 295.390 2.595 20 30 CFEDHN Clc1cccc(C#CCN2CCCN(C3CC3)CC2)c1 ZINC000178926316 329202948 /nfs/dbraw/zinc/20/29/48/329202948.db2.gz HQJBNJNQIBYBQI-UHFFFAOYSA-N 0 3 288.822 2.862 20 30 CFEDHN C=C(C)[C@H](NCCCC(=O)NC)c1ccc(F)c(F)c1 ZINC000582793993 329210885 /nfs/dbraw/zinc/21/08/85/329210885.db2.gz XUFHXJVLGSJNQC-HNNXBMFYSA-N 0 3 282.334 2.698 20 30 CFEDHN C=C(C)CN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000180016451 329214584 /nfs/dbraw/zinc/21/45/84/329214584.db2.gz KVPNDSTUWFWXIV-UHFFFAOYSA-N 0 3 261.369 2.788 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000181098284 329226057 /nfs/dbraw/zinc/22/60/57/329226057.db2.gz KAOCRTZNZJGAGL-ZNMIVQPWSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000181252229 329227881 /nfs/dbraw/zinc/22/78/81/329227881.db2.gz ZHBZGHIDGFFHAZ-OAHLLOKOSA-N 0 3 263.381 2.551 20 30 CFEDHN C=C(C)CN(C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000181297602 329230336 /nfs/dbraw/zinc/23/03/36/329230336.db2.gz FWFCKWPWCOFFTL-UHFFFAOYSA-N 0 3 274.364 2.726 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1cc(C)ccc1C ZINC000181308150 329230716 /nfs/dbraw/zinc/23/07/16/329230716.db2.gz BMPJDAUBZATWPQ-HNNXBMFYSA-N 0 3 263.381 2.551 20 30 CFEDHN C[C@H](NCCCC#N)c1ccccc1-n1cccn1 ZINC000183172653 329245259 /nfs/dbraw/zinc/24/52/59/329245259.db2.gz URICMCRCTAPRCV-ZDUSSCGKSA-N 0 3 254.337 2.827 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CCN(C)C)C1CCCC1 ZINC000185250699 329269685 /nfs/dbraw/zinc/26/96/85/329269685.db2.gz UFYBCGSTJLQFDX-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN N#CCC[C@H](C#N)CNC1CCC(C(F)F)CC1 ZINC000582960031 329289957 /nfs/dbraw/zinc/28/99/57/329289957.db2.gz XMHJRANBUMWEMV-VOMCLLRMSA-N 0 3 255.312 2.843 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccc(F)c1F ZINC000321297615 329341158 /nfs/dbraw/zinc/34/11/58/329341158.db2.gz ICARXGAZIOYTOB-WDEREUQCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cccc(F)c1F ZINC000321297579 329341288 /nfs/dbraw/zinc/34/12/88/329341288.db2.gz ICARXGAZIOYTOB-GHMZBOCLSA-N 0 3 255.308 2.943 20 30 CFEDHN CCC1(CC)CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000186541585 329345031 /nfs/dbraw/zinc/34/50/31/329345031.db2.gz GACNIXLVKUKXGN-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(CC)(CC)CC1 ZINC000186556052 329345504 /nfs/dbraw/zinc/34/55/04/329345504.db2.gz YLFVSJWCOLGRAY-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@H](O)CNC(C)(C)c1nc2ccccc2n1C ZINC000186571048 329345717 /nfs/dbraw/zinc/34/57/17/329345717.db2.gz ZCXZGVVSFQRWKF-ZDUSSCGKSA-N 0 3 287.407 2.725 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](C)N2CCC(C)CC2)CCC1 ZINC000190406453 329396399 /nfs/dbraw/zinc/39/63/99/329396399.db2.gz MKLUUVNOOGJLTK-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(=C)C)C(C)C ZINC000498142703 329432922 /nfs/dbraw/zinc/43/29/22/329432922.db2.gz UGJQEUUKGUHFLQ-MRXNPFEDSA-N 0 3 293.455 2.903 20 30 CFEDHN CC[C@@H](CC#N)NCCCc1ccc2c(c1)CCO2 ZINC000193314562 329439919 /nfs/dbraw/zinc/43/99/19/329439919.db2.gz XPKANDSZOVVUQF-HNNXBMFYSA-N 0 3 258.365 2.836 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418644091 329537984 /nfs/dbraw/zinc/53/79/84/329537984.db2.gz BUMJYCNYXSPAEA-INIZCTEOSA-N 0 3 289.423 2.856 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC3(CCC3)C2)CC1 ZINC000125605407 329584989 /nfs/dbraw/zinc/58/49/89/329584989.db2.gz FFRBTELERGLJRU-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@H]1CCC[C@H]1F ZINC000572149533 329947695 /nfs/dbraw/zinc/94/76/95/329947695.db2.gz ITDUEMACBSKEPM-XHSDSOJGSA-N 0 3 293.382 2.635 20 30 CFEDHN CC1(C)CCC[C@]1(O)CNC(=N)Nc1cc(F)ccc1F ZINC000263065517 330041663 /nfs/dbraw/zinc/04/16/63/330041663.db2.gz GCSCPCRTPLWYPG-HNNXBMFYSA-N 0 3 297.349 2.633 20 30 CFEDHN CN(C[C@@H]1CCCN1C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000421709699 330069227 /nfs/dbraw/zinc/06/92/27/330069227.db2.gz GLUBPZPEUMCDHG-SJORKVTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000421713194 330069480 /nfs/dbraw/zinc/06/94/80/330069480.db2.gz SABZZHZDMZXEIX-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269668810 330070261 /nfs/dbraw/zinc/07/02/61/330070261.db2.gz TXGNAWWCIYVSHJ-AWEZNQCLSA-N 0 3 264.325 2.526 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000572428763 330071910 /nfs/dbraw/zinc/07/19/10/330071910.db2.gz LJAZNLPJAQJEDN-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCC[C@@H](NCC1(CC(N)=O)CC1)c1ccco1 ZINC000421884653 330102783 /nfs/dbraw/zinc/10/27/83/330102783.db2.gz QWTYJPAXLRLJOK-GFCCVEGCSA-N 0 3 262.353 2.532 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000276420213 330113623 /nfs/dbraw/zinc/11/36/23/330113623.db2.gz MNECBXBRXXCMIX-LBPRGKRZSA-N 0 3 280.799 2.853 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CC(F)F)c1ccccc1 ZINC000422027845 330117616 /nfs/dbraw/zinc/11/76/16/330117616.db2.gz RGFBXCNMXIQVNT-MWLCHTKSSA-N 0 3 252.264 2.659 20 30 CFEDHN C=CCC[C@@H](Nc1ccc(N2CCNCC2)cn1)C1CC1 ZINC000423228583 330180503 /nfs/dbraw/zinc/18/05/03/330180503.db2.gz DFCIVKRXXBKNFR-MRXNPFEDSA-N 0 3 286.423 2.648 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000424071686 330219903 /nfs/dbraw/zinc/21/99/03/330219903.db2.gz BTYZOBHDDGMAGX-LLVKDONJSA-N 0 3 286.162 2.953 20 30 CFEDHN CCc1cccc(C)c1NC(=O)[C@H](N)CCCC#N ZINC000424072189 330220152 /nfs/dbraw/zinc/22/01/52/330220152.db2.gz CPFBDLFIZJEPLM-CYBMUJFWSA-N 0 3 259.353 2.517 20 30 CFEDHN CCCCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424074550 330220570 /nfs/dbraw/zinc/22/05/70/330220570.db2.gz HNHYKLJXKVLUCA-OAHLLOKOSA-N 0 3 273.380 2.989 20 30 CFEDHN CCCOc1cc(C)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424084110 330222549 /nfs/dbraw/zinc/22/25/49/330222549.db2.gz DLIPCFHLTMHDEM-ZDUSSCGKSA-N 0 3 289.379 2.744 20 30 CFEDHN CCCN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCc2ccccc21 ZINC000424085494 330222984 /nfs/dbraw/zinc/22/29/84/330222984.db2.gz FUYXSAKLOKEGQJ-IRXDYDNUSA-N 0 3 299.418 2.934 20 30 CFEDHN CC(C)(C)[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424090786 330225345 /nfs/dbraw/zinc/22/53/45/330225345.db2.gz MYHARISQQLSPKS-LSDHHAIUSA-N 0 3 287.407 2.911 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000424095737 330226964 /nfs/dbraw/zinc/22/69/64/330226964.db2.gz WWGQCPXUTKPUAQ-CABCVRRESA-N 0 3 289.354 2.510 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1cc(C)cc(C)c1 ZINC000424106847 330234559 /nfs/dbraw/zinc/23/45/59/330234559.db2.gz XYNSVRDHZQPASH-HNNXBMFYSA-N 0 3 273.380 2.678 20 30 CFEDHN CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424119964 330248022 /nfs/dbraw/zinc/24/80/22/330248022.db2.gz DJDJJMGQPUFDIV-CVEARBPZSA-N 0 3 287.407 2.863 20 30 CFEDHN CCSc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424120172 330248155 /nfs/dbraw/zinc/24/81/55/330248155.db2.gz GUUTYLKHHOJBJC-CYBMUJFWSA-N 0 3 277.393 2.758 20 30 CFEDHN CCc1ccc(C(C)(C)NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424124128 330256570 /nfs/dbraw/zinc/25/65/70/330256570.db2.gz LMCYJGGKMHHPMR-HNNXBMFYSA-N 0 3 287.407 2.621 20 30 CFEDHN CCc1ccc(C(C)(C)NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424124129 330256600 /nfs/dbraw/zinc/25/66/00/330256600.db2.gz LMCYJGGKMHHPMR-OAHLLOKOSA-N 0 3 287.407 2.621 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N(CC1CCC1)c1ccccc1 ZINC000424125064 330258184 /nfs/dbraw/zinc/25/81/84/330258184.db2.gz NIAUOVJBRYTGCJ-INIZCTEOSA-N 0 3 285.391 2.841 20 30 CFEDHN CC(C)(C)C1CCC(CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424126226 330259057 /nfs/dbraw/zinc/25/90/57/330259057.db2.gz OWCJGMJEFAEJMM-YMAMQOFZSA-N 0 3 293.455 2.976 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1-c1ncco1 ZINC000424127836 330259667 /nfs/dbraw/zinc/25/96/67/330259667.db2.gz QVZBMQQKGSEBBB-AWEZNQCLSA-N 0 3 298.346 2.610 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1C ZINC000424129941 330260159 /nfs/dbraw/zinc/26/01/59/330260159.db2.gz SLBNAKZXTUUUGH-DLBZAZTESA-N 0 3 299.418 2.988 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000424135853 330270825 /nfs/dbraw/zinc/27/08/25/330270825.db2.gz ZXUUPWREPJBNFX-MRXNPFEDSA-N 0 3 299.418 2.983 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)N[C@@H]1Cc2ccccc2NC1=O ZINC000528002369 330300185 /nfs/dbraw/zinc/30/01/85/330300185.db2.gz QXDNBFKQCVAWFC-YWPYICTPSA-N 0 3 258.365 2.740 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(Br)o1 ZINC000424166539 330309308 /nfs/dbraw/zinc/30/93/08/330309308.db2.gz CPEZXEBYPQATBH-ONGXEEELSA-N 0 3 286.169 2.723 20 30 CFEDHN CC(F)(F)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424190788 330323150 /nfs/dbraw/zinc/32/31/50/330323150.db2.gz OZLZJLZNEUZFEP-GFCCVEGCSA-N 0 3 281.306 2.758 20 30 CFEDHN COc1ccccc1/C=C/CN[C@@H]1CC[C@H](C#N)C1 ZINC000424200167 330326595 /nfs/dbraw/zinc/32/65/95/330326595.db2.gz RATICBIJRHBEFB-OZQCQIJRSA-N 0 3 256.349 2.990 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1Cl ZINC000424280915 330333910 /nfs/dbraw/zinc/33/39/10/330333910.db2.gz MOMYTDKNNCTNCF-MNOVXSKESA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@@H](c3ccccc3)[C@H]2C)nn1 ZINC000424289733 330334445 /nfs/dbraw/zinc/33/44/45/330334445.db2.gz ACNHPOIZPCJFPJ-KBRIMQKVSA-N 0 3 282.391 2.746 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)Cc2ccccc2)nn1 ZINC000424292510 330335123 /nfs/dbraw/zinc/33/51/23/330335123.db2.gz GXKJHQWSWPDEIL-HNNXBMFYSA-N 0 3 270.380 2.575 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)C[C@@H](C)CC)nn1 ZINC000424294935 330335800 /nfs/dbraw/zinc/33/58/00/330335800.db2.gz LWINTVPZPMYNMP-STQMWFEESA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)C(C)(C)c2ccccc2)nn1 ZINC000424298902 330336722 /nfs/dbraw/zinc/33/67/22/330336722.db2.gz ULEXYARZACQPGF-AWEZNQCLSA-N 0 3 284.407 2.920 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCC(C)(C)C)nn1 ZINC000424300686 330337116 /nfs/dbraw/zinc/33/71/16/330337116.db2.gz YMTUGIGDHXTKGF-LBPRGKRZSA-N 0 3 250.390 2.769 20 30 CFEDHN COc1cc2c(cc1OC)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424317234 330339549 /nfs/dbraw/zinc/33/95/49/330339549.db2.gz BODOHFNESZNRHB-LNSITVRQSA-N 0 3 286.375 2.973 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N(CCC#N)CC2CC2)c1 ZINC000424440913 330352069 /nfs/dbraw/zinc/35/20/69/330352069.db2.gz VUHJOXHCTOHBBH-UHFFFAOYSA-N 0 3 286.379 2.611 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000058523906 330389290 /nfs/dbraw/zinc/38/92/90/330389290.db2.gz NGBDJLDZKOHSPM-SJORKVTESA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H](C)Cc1ccccc1C ZINC000121073606 330396022 /nfs/dbraw/zinc/39/60/22/330396022.db2.gz SKXSOPKWDPRUEG-INIZCTEOSA-N 0 3 288.435 2.940 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(C)cc1OC ZINC000537092041 330398360 /nfs/dbraw/zinc/39/83/60/330398360.db2.gz FRSKNMDZMMMIHH-KGLIPLIRSA-N 0 3 263.381 2.839 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCCc2ccc(Cl)cc21 ZINC000537478224 330438955 /nfs/dbraw/zinc/43/89/55/330438955.db2.gz RBKQZMMBTYVYRV-CQSZACIVSA-N 0 3 278.783 2.609 20 30 CFEDHN C=C[C@H](C)NCc1ccc(OC)c(OC(F)F)c1 ZINC000123190552 330453953 /nfs/dbraw/zinc/45/39/53/330453953.db2.gz DOMMBHZIDDDDQH-VIFPVBQESA-N 0 3 257.280 2.961 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000515195759 330472520 /nfs/dbraw/zinc/47/25/20/330472520.db2.gz FLFHFQWIXKYRBG-ZFVVBOAOSA-N 0 3 265.360 2.605 20 30 CFEDHN CC(C)(C)c1ccc(OC[C@H](O)CNCCCC#N)cc1 ZINC000515639457 330480467 /nfs/dbraw/zinc/48/04/67/330480467.db2.gz QOEUCVLATJPPLW-OAHLLOKOSA-N 0 3 290.407 2.617 20 30 CFEDHN C=C(C)[C@H](NCC[C@H]1CCNC1=O)c1ccc(F)c(F)c1 ZINC000516082886 330486919 /nfs/dbraw/zinc/48/69/19/330486919.db2.gz GWKSGACDBIOWQU-NHYWBVRUSA-N 0 3 294.345 2.698 20 30 CFEDHN C=C(C)CNC1(C(=O)NCCCC)CCCCC1 ZINC000085906561 330492720 /nfs/dbraw/zinc/49/27/20/330492720.db2.gz AFKHWNLSSNIPHP-UHFFFAOYSA-N 0 3 252.402 2.771 20 30 CFEDHN Cn1cc(CNCC2(CC#N)CC2)c(C(C)(C)C)n1 ZINC000430046449 330558224 /nfs/dbraw/zinc/55/82/24/330558224.db2.gz NUOSIUWWGDHGLL-UHFFFAOYSA-N 0 3 260.385 2.501 20 30 CFEDHN COc1cc2c(cc1OC)[C@H](NCC1(CC#N)CC1)CC2 ZINC000430760907 330573611 /nfs/dbraw/zinc/57/36/11/330573611.db2.gz KJRUGTIGUAOLJH-CQSZACIVSA-N 0 3 286.375 2.975 20 30 CFEDHN CC[C@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)N(CC)CC ZINC000434447868 330639093 /nfs/dbraw/zinc/63/90/93/330639093.db2.gz FDEPTTPFLPVDCH-ZIAGYGMSSA-N 0 3 279.428 2.648 20 30 CFEDHN Cc1cccc(C)c1OCCN[C@H]1CC[C@H](C#N)C1 ZINC000442784205 330782976 /nfs/dbraw/zinc/78/29/76/330782976.db2.gz PCMFKEUBOSFRHA-GJZGRUSLSA-N 0 3 258.365 2.964 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000442851374 330786834 /nfs/dbraw/zinc/78/68/34/330786834.db2.gz QUNAMZXFQGLPNB-TZMCWYRMSA-N 0 3 282.347 2.561 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCC1(N(C)C)CCC1 ZINC000445849300 330839769 /nfs/dbraw/zinc/83/97/69/330839769.db2.gz NDHJHYFOIBFOQN-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000448923358 330888426 /nfs/dbraw/zinc/88/84/26/330888426.db2.gz USRYSCOJUWFAOD-CZUORRHYSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccccc1OCC(C)C ZINC000449201824 330905930 /nfs/dbraw/zinc/90/59/30/330905930.db2.gz HNMBMNDDHQPAFO-HNNXBMFYSA-N 0 3 277.408 2.996 20 30 CFEDHN CO[C@](C)(CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000449483369 330929610 /nfs/dbraw/zinc/92/96/10/330929610.db2.gz ITQKXIRVSOUFRI-FVQBIDKESA-N 0 3 258.365 2.830 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnn(-c2ccccc2)c1 ZINC000449545906 330935245 /nfs/dbraw/zinc/93/52/45/330935245.db2.gz ACKZPMOVMOVQGY-SJORKVTESA-N 0 3 283.375 2.696 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC(F)F)c(F)c1 ZINC000449696187 330944366 /nfs/dbraw/zinc/94/43/66/330944366.db2.gz HKSRFWXMGDNIKY-LLVKDONJSA-N 0 3 289.297 2.844 20 30 CFEDHN C=C(CC)CNCc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000449734523 330946694 /nfs/dbraw/zinc/94/66/94/330946694.db2.gz RRUHKBSKCBXVKX-UHFFFAOYSA-N 0 3 285.391 2.540 20 30 CFEDHN COCC1(C#N)CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450930353 331007719 /nfs/dbraw/zinc/00/77/19/331007719.db2.gz MGMOWRKIMIDBAB-GFCCVEGCSA-N 0 3 272.339 2.674 20 30 CFEDHN CCN(CC1(C#N)CCC1)[C@H]1CCOC(C)(C)C1 ZINC000451047854 331013390 /nfs/dbraw/zinc/01/33/90/331013390.db2.gz XVBUYPLVOSSZCW-ZDUSSCGKSA-N 0 3 250.386 2.960 20 30 CFEDHN C[C@H](N(C)CC#Cc1ccccc1Cl)C(C)(C)O ZINC000451364077 331025929 /nfs/dbraw/zinc/02/59/29/331025929.db2.gz CDJWTFSORXNLQU-LBPRGKRZSA-N 0 3 265.784 2.783 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000451596027 331035584 /nfs/dbraw/zinc/03/55/84/331035584.db2.gz FCANYQUUFXBFGE-IMJJTQAJSA-N 0 3 288.391 2.564 20 30 CFEDHN C=CCCC[C@@H](C)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451740067 331040761 /nfs/dbraw/zinc/04/07/61/331040761.db2.gz KKKYTFRQJAZCJS-CABCVRRESA-N 0 3 285.453 2.632 20 30 CFEDHN CC1(C)COC[C@H]1NCC#Cc1ccccc1Cl ZINC000451811839 331043480 /nfs/dbraw/zinc/04/34/80/331043480.db2.gz OFGPNWNGGZQVLT-CQSZACIVSA-N 0 3 263.768 2.706 20 30 CFEDHN C=C(C)CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000452719534 331073466 /nfs/dbraw/zinc/07/34/66/331073466.db2.gz TYVULQSJTUGCAQ-HNNXBMFYSA-N 0 3 264.413 2.866 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccncn1)C(C)C ZINC000453070427 331086433 /nfs/dbraw/zinc/08/64/33/331086433.db2.gz CCMLZENFSZRLRD-WBVHZDCISA-N 0 3 288.439 2.826 20 30 CFEDHN C=CC(C)(C)CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453302714 331113527 /nfs/dbraw/zinc/11/35/27/331113527.db2.gz ALGQYDLASINLLA-AWEZNQCLSA-N 0 3 274.343 2.835 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)cc1N(C)C ZINC000453340735 331119116 /nfs/dbraw/zinc/11/91/16/331119116.db2.gz CGDUJIJUZCMRPR-XFJVYGCCSA-N 0 3 278.371 2.886 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000453342034 331119420 /nfs/dbraw/zinc/11/94/20/331119420.db2.gz FJHOJZJICUUKPR-QAPCUYQASA-N 0 3 299.418 2.909 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OCCOC)cc1 ZINC000453344038 331119562 /nfs/dbraw/zinc/11/95/62/331119562.db2.gz FFLRKVICQJDYEW-XKQJLSEDSA-N 0 3 291.391 2.706 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(Cl)cn1 ZINC000453361950 331122720 /nfs/dbraw/zinc/12/27/20/331122720.db2.gz QEXRNDKZVOOTTC-PWSUYJOCSA-N 0 3 254.761 2.713 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453366493 331123322 /nfs/dbraw/zinc/12/33/22/331123322.db2.gz RXXQWDBLBGRROR-JSGCOSHPSA-N 0 3 279.428 2.924 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453375385 331124698 /nfs/dbraw/zinc/12/46/98/331124698.db2.gz WUZIKQIQPOUVIE-IUODEOHRSA-N 0 3 279.355 2.738 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453444444 331132138 /nfs/dbraw/zinc/13/21/38/331132138.db2.gz MZFPHGJGRVUWEQ-AWEZNQCLSA-N 0 3 291.443 2.508 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000454480987 331147045 /nfs/dbraw/zinc/14/70/45/331147045.db2.gz MVSLEJQHEBSTKZ-ZIAGYGMSSA-N 0 3 281.444 2.761 20 30 CFEDHN C=C(C)CCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000454476643 331147116 /nfs/dbraw/zinc/14/71/16/331147116.db2.gz HLSRCTKRYUEUHC-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCC1(CNC(=O)NC2CCN(CC)CC2)CCCC1 ZINC000454621207 331149971 /nfs/dbraw/zinc/14/99/71/331149971.db2.gz PJTAIYHLMUZYSR-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000454646768 331150419 /nfs/dbraw/zinc/15/04/19/331150419.db2.gz QPBWKYHMRNWWEW-KGLIPLIRSA-N 0 3 281.444 2.618 20 30 CFEDHN C=C(CC)CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000454715897 331152115 /nfs/dbraw/zinc/15/21/15/331152115.db2.gz DZWSQTKLIOTWAG-JKSUJKDBSA-N 0 3 287.407 2.697 20 30 CFEDHN CS[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000456055126 331183499 /nfs/dbraw/zinc/18/34/99/331183499.db2.gz GFUZXDSARYKMFK-CABCVRRESA-N 0 3 288.416 2.723 20 30 CFEDHN C=CCC1(CNC(=O)CN(C)C(C)C)CCCC1 ZINC000456484834 331193717 /nfs/dbraw/zinc/19/37/17/331193717.db2.gz JWFYWHNWZXWOJZ-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC000456510950 331194815 /nfs/dbraw/zinc/19/48/15/331194815.db2.gz SLZCCKOZHWDZFU-UHFFFAOYSA-N 0 3 261.369 2.513 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(CC#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000456724115 331199187 /nfs/dbraw/zinc/19/91/87/331199187.db2.gz FMSJWXLDWDGWDD-MJBXVCDLSA-N 0 3 285.391 2.952 20 30 CFEDHN COc1ccc([C@H](NC(=O)C(C)C#N)c2ccco2)cc1 ZINC000457006549 331210116 /nfs/dbraw/zinc/21/01/16/331210116.db2.gz QIUJOHMLARCHFA-NHYWBVRUSA-N 0 3 284.315 2.653 20 30 CFEDHN CC(C#N)C(=O)N[C@](C)(Cc1ccccc1)C1CC1 ZINC000457044265 331210855 /nfs/dbraw/zinc/21/08/55/331210855.db2.gz MZZBZAPVTMWIBJ-BLLLJJGKSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000457545396 331226600 /nfs/dbraw/zinc/22/66/00/331226600.db2.gz RBDWJMDYTNPOOG-UHFFFAOYSA-N 0 3 278.440 2.825 20 30 CFEDHN CC(C)(CC#N)CNC(=O)C(C#N)CCc1ccccc1 ZINC000457988367 331238981 /nfs/dbraw/zinc/23/89/81/331238981.db2.gz CJDOJMJLIRLAPV-OAHLLOKOSA-N 0 3 283.375 2.815 20 30 CFEDHN CC(C)[C@@H]1C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458118544 331243272 /nfs/dbraw/zinc/24/32/72/331243272.db2.gz VGZDXDCKJSYIFR-HRCADAONSA-N 0 3 270.376 2.920 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458268953 331246972 /nfs/dbraw/zinc/24/69/72/331246972.db2.gz RBRDRIVFCRDFNO-CVEARBPZSA-N 0 3 288.391 2.586 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)C2CCC2)CC1 ZINC000458312252 331248197 /nfs/dbraw/zinc/24/81/97/331248197.db2.gz BCNGKYCNQLGYGO-UHFFFAOYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(CC)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000458789907 331259846 /nfs/dbraw/zinc/25/98/46/331259846.db2.gz ZEKJFJLTTKBBQJ-GOEBONIOSA-N 0 3 289.423 2.943 20 30 CFEDHN C=C(C)CCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000458998500 331265415 /nfs/dbraw/zinc/26/54/15/331265415.db2.gz KSENNXCFIDCUPX-OAHLLOKOSA-N 0 3 279.428 2.613 20 30 CFEDHN C=C(CC)CNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000459082203 331269674 /nfs/dbraw/zinc/26/96/74/331269674.db2.gz FVCMSEMRIYKTBV-OAHLLOKOSA-N 0 3 293.386 2.694 20 30 CFEDHN C=CCN(CCc1ccco1)CCn1cc(Cl)cn1 ZINC000459407720 331280237 /nfs/dbraw/zinc/28/02/37/331280237.db2.gz WCWVIYZSHYYMCP-UHFFFAOYSA-N 0 3 279.771 2.860 20 30 CFEDHN C[C@H]1CN(c2ccccc2CNCC2(CC#N)CC2)CCO1 ZINC000459512077 331285520 /nfs/dbraw/zinc/28/55/20/331285520.db2.gz NNQGTCWDZZTKMI-HNNXBMFYSA-N 0 3 299.418 2.695 20 30 CFEDHN C=CCC[C@H](CO)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459572798 331288605 /nfs/dbraw/zinc/28/86/05/331288605.db2.gz PZGQGDXGNIMDSK-GFCCVEGCSA-N 0 3 299.798 2.861 20 30 CFEDHN C[C@@H](CCCc1cccnc1)NC[C@@H](C#N)CCC#N ZINC000459640534 331291740 /nfs/dbraw/zinc/29/17/40/331291740.db2.gz LMWBWNVQGLWBNC-GOEBONIOSA-N 0 3 270.380 2.826 20 30 CFEDHN COc1cc(CNCC(C)(C)CC#N)cc(OC)c1 ZINC000459693566 331294766 /nfs/dbraw/zinc/29/47/66/331294766.db2.gz NHLDHMYOTYHGRY-UHFFFAOYSA-N 0 3 262.353 2.733 20 30 CFEDHN CC#CCCN1CCC(NC(=O)CCCCC)CC1 ZINC000462329554 331319779 /nfs/dbraw/zinc/31/97/79/331319779.db2.gz XHZDHIIUOBGNJG-UHFFFAOYSA-N 0 3 264.413 2.561 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000473823896 331558381 /nfs/dbraw/zinc/55/83/81/331558381.db2.gz YCHXSJYFVOYFJI-KFWWJZLASA-N 0 3 293.455 2.713 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000475635232 331640075 /nfs/dbraw/zinc/64/00/75/331640075.db2.gz BEAJPOPYVALPOM-GOEBONIOSA-N 0 3 278.440 2.969 20 30 CFEDHN CC#CCCNCc1cc(C(=O)OC)ccc1Cl ZINC000482254939 331829289 /nfs/dbraw/zinc/82/92/89/331829289.db2.gz VJURYHLBKQGKIE-UHFFFAOYSA-N 0 3 265.740 2.630 20 30 CFEDHN C=CCCCCCN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000488146753 331991925 /nfs/dbraw/zinc/99/19/25/331991925.db2.gz IPYJFIOJVNANNI-UHFFFAOYSA-N 0 3 288.439 2.962 20 30 CFEDHN C=CCn1cccc1C(=O)Nc1cccc(CN(C)C)c1 ZINC000488385893 332003341 /nfs/dbraw/zinc/00/33/41/332003341.db2.gz KUOJZPTVDWFNCM-UHFFFAOYSA-N 0 3 283.375 2.988 20 30 CFEDHN C=C(CNC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000488895921 332032555 /nfs/dbraw/zinc/03/25/55/332032555.db2.gz IHKYQJRPEYHPRK-HUUCEWRRSA-N 0 3 272.392 2.689 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1F ZINC000489431526 332051922 /nfs/dbraw/zinc/05/19/22/332051922.db2.gz HSKUMRKQWKFNBB-JKSUJKDBSA-N 0 3 293.382 2.744 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000490301892 332086185 /nfs/dbraw/zinc/08/61/85/332086185.db2.gz RCDCVPWBWPNPPM-LVQVYYBASA-N 0 3 293.455 2.713 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490304001 332086308 /nfs/dbraw/zinc/08/63/08/332086308.db2.gz XNZKADGABSJILG-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C#CC(C)(C)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000490656458 332100496 /nfs/dbraw/zinc/10/04/96/332100496.db2.gz KYNLJYMPABPECR-UHFFFAOYSA-N 0 3 284.403 2.813 20 30 CFEDHN C#C[C@@H](CCC)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000491067800 332144757 /nfs/dbraw/zinc/14/47/57/332144757.db2.gz KIACMUQIHHOEQX-KRWDZBQOSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CCN(Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000491070784 332145902 /nfs/dbraw/zinc/14/59/02/332145902.db2.gz FQKOOXAKYBNINV-UHFFFAOYSA-N 0 3 281.350 2.916 20 30 CFEDHN C#CC(C)(C)N(C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000491164292 332158959 /nfs/dbraw/zinc/15/89/59/332158959.db2.gz ABRUJHYEEBVJDF-UHFFFAOYSA-N 0 3 270.380 2.856 20 30 CFEDHN C#CCN(C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491396626 332204782 /nfs/dbraw/zinc/20/47/82/332204782.db2.gz YZKCPYOHFRUIMI-CQSZACIVSA-N 0 3 280.412 2.589 20 30 CFEDHN C#CCNC(=O)CCN[C@H](CCC)c1ccc(F)cc1F ZINC000491408497 332206889 /nfs/dbraw/zinc/20/68/89/332206889.db2.gz VXYNUSNOHDYIGM-OAHLLOKOSA-N 0 3 294.345 2.535 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(C)c(C)c1Cl ZINC000491425554 332209044 /nfs/dbraw/zinc/20/90/44/332209044.db2.gz ALYPVQMJLQXEKO-UHFFFAOYSA-N 0 3 292.810 2.642 20 30 CFEDHN C#CCN(CCc1ccnn1C)[C@@H]1CCc2ccccc21 ZINC000491508248 332225990 /nfs/dbraw/zinc/22/59/90/332225990.db2.gz ZGCYFHDXBNKYKX-GOSISDBHSA-N 0 3 279.387 2.585 20 30 CFEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1cccc(OC)c1)C(C)C ZINC000491623561 332248030 /nfs/dbraw/zinc/24/80/30/332248030.db2.gz HFPTVGRLLNFWRQ-BBRMVZONSA-N 0 3 288.391 2.660 20 30 CFEDHN C#C[C@H](NCc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000491660576 332270878 /nfs/dbraw/zinc/27/08/78/332270878.db2.gz MPODRZMNUUVGDS-CJNGLKHVSA-N 0 3 256.349 2.725 20 30 CFEDHN C#C[C@H](NCc1ccc(OC)c(OC)c1C)C(C)C ZINC000491663585 332272562 /nfs/dbraw/zinc/27/25/62/332272562.db2.gz ICGRHTARQBODFV-AWEZNQCLSA-N 0 3 261.365 2.760 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000491699940 332294584 /nfs/dbraw/zinc/29/45/84/332294584.db2.gz VFEJSKDQLLXQIK-AWEZNQCLSA-N 0 3 287.359 2.512 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(Oc2cnccn2)cc1 ZINC000491711276 332302788 /nfs/dbraw/zinc/30/27/88/332302788.db2.gz UCDDYFMTIKKEOT-CQSZACIVSA-N 0 3 267.332 2.770 20 30 CFEDHN C#CCN(C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000491714204 332305084 /nfs/dbraw/zinc/30/50/84/332305084.db2.gz FXTBQVWNHPYFSI-QGZVFWFLSA-N 0 3 299.418 2.617 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000491716388 332306155 /nfs/dbraw/zinc/30/61/55/332306155.db2.gz UBDRLMLEEROJTP-DOTOQJQBSA-N 0 3 273.376 2.746 20 30 CFEDHN C#C[C@@H](N[C@@H](C)CCn1cccn1)c1ccc(F)cc1 ZINC000491736085 332316324 /nfs/dbraw/zinc/31/63/24/332316324.db2.gz CZVYXJLTDFPQKY-XJKSGUPXSA-N 0 3 271.339 2.765 20 30 CFEDHN C#C[C@H](CCC)NC(=N)Nc1cc(F)ccc1F ZINC000491772728 332338801 /nfs/dbraw/zinc/33/88/01/332338801.db2.gz UFYFMKZMRVTQKU-SNVBAGLBSA-N 0 3 251.280 2.703 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000491779115 332344100 /nfs/dbraw/zinc/34/41/00/332344100.db2.gz YZOWREKMGREMII-NSHDSACASA-N 0 3 264.756 2.622 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC(=O)CC)c(OCC)c1 ZINC000491803128 332357140 /nfs/dbraw/zinc/35/71/40/332357140.db2.gz IMKPKAOCIBSHHR-CQSZACIVSA-N 0 3 289.375 2.902 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCn2ccnc2C1 ZINC000494411888 332472585 /nfs/dbraw/zinc/47/25/85/332472585.db2.gz PBWOZJMBGBMNTH-HNNXBMFYSA-N 0 3 283.375 2.553 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000249733336 334339652 /nfs/dbraw/zinc/33/96/52/334339652.db2.gz UZBHBXOTLNYOGH-KFWWJZLASA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCN1CCC(NC(=O)N([C@H](C)C(C)C)C2CC2)CC1 ZINC000086394694 332571452 /nfs/dbraw/zinc/57/14/52/332571452.db2.gz OXNNIIDZRMUSER-CQSZACIVSA-N 0 3 293.455 2.855 20 30 CFEDHN C=CCN1CCC(NC(=O)N([C@@H](C)C(C)C)C2CC2)CC1 ZINC000086394696 332571472 /nfs/dbraw/zinc/57/14/72/332571472.db2.gz OXNNIIDZRMUSER-AWEZNQCLSA-N 0 3 293.455 2.855 20 30 CFEDHN C=CCN1CCC(NC(=O)NC(CC)(CC)CC)CC1 ZINC000174776983 333007053 /nfs/dbraw/zinc/00/70/53/333007053.db2.gz WKISVMIAJHNKMK-UHFFFAOYSA-N 0 3 281.444 2.905 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)C(C)C)CC1 ZINC000517324631 333097328 /nfs/dbraw/zinc/09/73/28/333097328.db2.gz ZIUYHQNYANFMLG-CQSZACIVSA-N 0 3 281.444 2.713 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000185656619 333146043 /nfs/dbraw/zinc/14/60/43/333146043.db2.gz LLIQFCSYUYFLGO-BFHYXJOUSA-N 0 3 252.402 2.530 20 30 CFEDHN C/C=C/C[C@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000185815761 333149663 /nfs/dbraw/zinc/14/96/63/333149663.db2.gz OKONRLFUEYECNT-WOMSROEHSA-N 0 3 288.391 2.786 20 30 CFEDHN C[C@H](C#N)CN[C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000223976591 333214682 /nfs/dbraw/zinc/21/46/82/333214682.db2.gz NXUYMHBGWHHHTR-RDBSUJKOSA-N 0 3 295.427 2.914 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc3ncsc3c2)CC1 ZINC000194052449 333264577 /nfs/dbraw/zinc/26/45/77/333264577.db2.gz CNCNDRWSAAOPER-UHFFFAOYSA-N 0 3 299.399 2.580 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@H]2C)cc1 ZINC000230150359 333314877 /nfs/dbraw/zinc/31/48/77/333314877.db2.gz VICPSNRNCFJLKW-BBRMVZONSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000523414513 333325925 /nfs/dbraw/zinc/32/59/25/333325925.db2.gz CSCGWFWWGVZESL-YUELXQCFSA-N 0 3 256.349 2.674 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000339129565 335141575 /nfs/dbraw/zinc/14/15/75/335141575.db2.gz STKMDRCNVKTFOE-GOEBONIOSA-N 0 3 277.795 2.784 20 30 CFEDHN COc1cc(CN2CCC(CC#N)CC2)cc(OC)c1 ZINC000540993163 333757297 /nfs/dbraw/zinc/75/72/97/333757297.db2.gz GFXWOQUUDMKOKL-UHFFFAOYSA-N 0 3 274.364 2.829 20 30 CFEDHN C=C(CC)CN1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000547294483 334076261 /nfs/dbraw/zinc/07/62/61/334076261.db2.gz SSFBSCKSAZBLIT-CQSZACIVSA-N 0 3 264.369 2.849 20 30 CFEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CC1 ZINC000077194547 334098171 /nfs/dbraw/zinc/09/81/71/334098171.db2.gz HPYLZROKVXZTPE-AWEZNQCLSA-N 0 3 285.391 2.664 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@H](C)N1CCCC1)c1ccccc1 ZINC000547665077 334107352 /nfs/dbraw/zinc/10/73/52/334107352.db2.gz KMZZGHIKYNZHPF-DOTOQJQBSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175171353 335176736 /nfs/dbraw/zinc/17/67/36/335176736.db2.gz HFCHZMBMASBGHE-MRXNPFEDSA-N 0 3 272.392 2.847 20 30 CFEDHN C=C[C@H](CC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC000135784901 334138777 /nfs/dbraw/zinc/13/87/77/334138777.db2.gz NBXXNJMJILODGN-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN Cc1ccc([C@@H](CNCCC#N)N2CCCC2)cc1 ZINC000576272269 335180439 /nfs/dbraw/zinc/18/04/39/335180439.db2.gz UZIUICIMONNDRC-MRXNPFEDSA-N 0 3 257.381 2.635 20 30 CFEDHN CCC[C@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000549421054 334193341 /nfs/dbraw/zinc/19/33/41/334193341.db2.gz IKGKHMOYSIEXCH-MRXNPFEDSA-N 0 3 285.391 2.704 20 30 CFEDHN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000246918432 334271733 /nfs/dbraw/zinc/27/17/33/334271733.db2.gz YIFIECMBIDZIGZ-CABCVRRESA-N 0 3 291.439 2.697 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550079872 334212556 /nfs/dbraw/zinc/21/25/56/334212556.db2.gz SGKIQEHAKDNSTP-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1ccccc1CN(C)C ZINC000551828515 334263657 /nfs/dbraw/zinc/26/36/57/334263657.db2.gz XWWKLRNPEBIOTC-CYBMUJFWSA-N 0 3 276.380 2.668 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN1CCC(C)(C)C1 ZINC000553084875 334360616 /nfs/dbraw/zinc/36/06/16/334360616.db2.gz CHOHPXNDGWEQJA-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN N#CCC[C@H](C#N)CNCCC1Cc2ccccc2C1 ZINC000555588765 334483422 /nfs/dbraw/zinc/48/34/22/334483422.db2.gz ZUDWYOOQLPWSQU-OAHLLOKOSA-N 0 3 267.376 2.825 20 30 CFEDHN CC[C@@H](CC#N)NCCCCC(=O)OC(C)(C)C ZINC000565174354 334540478 /nfs/dbraw/zinc/54/04/78/334540478.db2.gz QDCRQEGHQFMPGL-LBPRGKRZSA-N 0 3 254.374 2.780 20 30 CFEDHN C=C(C)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000567293050 334701547 /nfs/dbraw/zinc/70/15/47/334701547.db2.gz INCVZLGPENBXEX-UHFFFAOYSA-N 0 3 255.365 2.905 20 30 CFEDHN CC[C@H](C(=O)N1CCC(NCCC#N)CC1)c1ccccc1 ZINC000567683265 334751770 /nfs/dbraw/zinc/75/17/70/334751770.db2.gz KSPSFNPFVBXXOV-KRWDZBQOSA-N 0 3 299.418 2.674 20 30 CFEDHN CCCCNC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000157960543 334788299 /nfs/dbraw/zinc/78/82/99/334788299.db2.gz MTDGFADJHJFDFB-UHFFFAOYSA-N 0 3 279.428 2.555 20 30 CFEDHN C=CCN(CC=C)Cc1cc2ccccc2n(C)c1=O ZINC000572942022 334893136 /nfs/dbraw/zinc/89/31/36/334893136.db2.gz KBMTYRNIAFTJEP-UHFFFAOYSA-N 0 3 268.360 2.713 20 30 CFEDHN Cc1nc2ccccc2n1CCCNC[C@H](C#N)CCC#N ZINC000576508313 335212523 /nfs/dbraw/zinc/21/25/23/335212523.db2.gz BLIQGEHAVRJNOE-HNNXBMFYSA-N 0 3 295.390 2.768 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000576799867 335249071 /nfs/dbraw/zinc/24/90/71/335249071.db2.gz FKDMNRWOEXPPGV-DOMZBBRYSA-N 0 3 274.339 2.909 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(C)cc1 ZINC000192944997 335329112 /nfs/dbraw/zinc/32/91/12/335329112.db2.gz ZOOZYLKXWQOMAI-HOCLYGCPSA-N 0 3 287.407 2.796 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(C)c2F)CC1 ZINC000179941635 335533749 /nfs/dbraw/zinc/53/37/49/335533749.db2.gz IAIHHFALMDJCAG-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000579116228 335711303 /nfs/dbraw/zinc/71/13/03/335711303.db2.gz LRPWCISTYQBVSB-UKRRQHHQSA-N 0 3 297.418 2.607 20 30 CFEDHN C=CCOc1ccccc1CNCC1(CC)COC1 ZINC000353872910 335755624 /nfs/dbraw/zinc/75/56/24/335755624.db2.gz BCSIUAKEVPHQOM-UHFFFAOYSA-N 0 3 261.365 2.768 20 30 CFEDHN CC[C@@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000182264052 335806934 /nfs/dbraw/zinc/80/69/34/335806934.db2.gz MIUVJDRXXCNNCL-CVEARBPZSA-N 0 3 261.340 2.724 20 30 CFEDHN C=CCCCCN[C@@](C)(CC(=O)OC)c1ccccn1 ZINC000581351206 336057477 /nfs/dbraw/zinc/05/74/77/336057477.db2.gz FQWTXFOJYMUMJQ-INIZCTEOSA-N 0 3 276.380 2.806 20 30 CFEDHN Cc1c(CNC(=O)C(C)C#N)oc2ccc(F)cc12 ZINC000334962050 533862193 /nfs/dbraw/zinc/86/21/93/533862193.db2.gz YTNSWGBAWHHBOW-QMMMGPOBSA-N 0 3 260.268 2.656 20 30 CFEDHN Cc1c(CNC(=O)C(C)C#N)oc2ccc(F)cc12 ZINC000334962049 533862370 /nfs/dbraw/zinc/86/23/70/533862370.db2.gz YTNSWGBAWHHBOW-MRVPVSSYSA-N 0 3 260.268 2.656 20 30 CFEDHN COc1cc(CNCC(C)(C)OCC2CC2)ccc1C#N ZINC000414506095 533869720 /nfs/dbraw/zinc/86/97/20/533869720.db2.gz SLHQPKXYFWCNMC-UHFFFAOYSA-N 0 3 288.391 2.862 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000192635415 534000625 /nfs/dbraw/zinc/00/06/25/534000625.db2.gz HIOYCAPDAPZGHK-OBJOEFQTSA-N 0 3 299.374 2.750 20 30 CFEDHN C[C@H]([NH+]=C([O-])N[C@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330189981 534280481 /nfs/dbraw/zinc/28/04/81/534280481.db2.gz MFHKHNCMVBIUGQ-JSGCOSHPSA-N 0 3 290.411 2.670 20 30 CFEDHN C[C@H](NC([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330189981 534280483 /nfs/dbraw/zinc/28/04/83/534280483.db2.gz MFHKHNCMVBIUGQ-JSGCOSHPSA-N 0 3 290.411 2.670 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1cccc(Br)c1 ZINC000347030992 534283294 /nfs/dbraw/zinc/28/32/94/534283294.db2.gz DBYKNOHNKIEEDP-ZJUUUORDSA-N 0 3 295.180 2.656 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F ZINC000347042998 534284834 /nfs/dbraw/zinc/28/48/34/534284834.db2.gz DLCSAJGMCJZSOU-RKDXNWHRSA-N 0 3 292.289 2.768 20 30 CFEDHN COC(=O)c1csc([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000353586579 534336805 /nfs/dbraw/zinc/33/68/05/534336805.db2.gz DRVWMNMCEAGHNP-SNVBAGLBSA-N 0 3 278.377 2.879 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181093221 518337971 /nfs/dbraw/zinc/33/79/71/518337971.db2.gz BVPJFJQUMXINMN-GFCCVEGCSA-N 0 3 278.377 2.920 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787195 782162000 /nfs/dbraw/zinc/16/20/00/782162000.db2.gz IPVQHEWBUJSRIB-CQSZACIVSA-N 0 3 287.407 2.615 20 30 CFEDHN CC(C)C[C@H](C)CN1CCN(c2ncccc2C#N)CC1 ZINC000337140716 519305242 /nfs/dbraw/zinc/30/52/42/519305242.db2.gz USFCVNZFFHNOAP-HNNXBMFYSA-N 0 3 286.423 2.757 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000360311478 519693660 /nfs/dbraw/zinc/69/36/60/519693660.db2.gz PRXIYIRPLBABMK-JKIFEVAISA-N 0 3 299.418 2.507 20 30 CFEDHN CC(C)[C@H](O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000305830006 519823051 /nfs/dbraw/zinc/82/30/51/519823051.db2.gz SZQTVSJCUOWLNP-IAQYHMDHSA-N 0 3 264.344 2.755 20 30 CFEDHN CCCN1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000068772069 519859895 /nfs/dbraw/zinc/85/98/95/519859895.db2.gz DFZQXDMNUVJHTP-UHFFFAOYSA-N 0 3 280.375 2.638 20 30 CFEDHN CCCCN(CCCO)Cc1ccc(C#N)c(F)c1 ZINC000192163143 520504979 /nfs/dbraw/zinc/50/49/79/520504979.db2.gz HZTXDVMZDBBFJX-UHFFFAOYSA-N 0 3 264.344 2.682 20 30 CFEDHN CCCCO[C@@H]1C[C@@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191283302 520827491 /nfs/dbraw/zinc/82/74/91/520827491.db2.gz LDVCMNSTLQRQQS-HZPDHXFCSA-N 0 3 289.423 2.970 20 30 CFEDHN CCC[C@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305829518 521191588 /nfs/dbraw/zinc/19/15/88/521191588.db2.gz OGKHUPHAQJFYPN-GWCFXTLKSA-N 0 3 250.317 2.509 20 30 CFEDHN CCC(CC)(CNCc1cccc(C#N)c1F)C(=O)OC ZINC000340872316 521443199 /nfs/dbraw/zinc/44/31/99/521443199.db2.gz CMMZFHJXADSRNV-UHFFFAOYSA-N 0 3 292.354 2.766 20 30 CFEDHN CCN1CC[C@H](N(C)C(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000336355214 521718762 /nfs/dbraw/zinc/71/87/62/521718762.db2.gz RSBAJAMNWYQXBN-RYUDHWBXSA-N 0 3 291.420 2.565 20 30 CFEDHN CC[C@H](C)[C@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305841292 521997446 /nfs/dbraw/zinc/99/74/46/521997446.db2.gz ZJVDYIFIAAKVNL-FIXISWKDSA-N 0 3 264.344 2.755 20 30 CFEDHN CC[C@@H](O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000305803013 522991108 /nfs/dbraw/zinc/99/11/08/522991108.db2.gz FGRYEFQHJNBBBA-ZYHUDNBSSA-N 0 3 250.317 2.509 20 30 CFEDHN CO[C@@H](C)CN(Cc1ccc(C#N)c(F)c1)C(C)C ZINC000361825160 523409380 /nfs/dbraw/zinc/40/93/80/523409380.db2.gz JXNAWYLAIZUCBP-LBPRGKRZSA-N 0 3 264.344 2.943 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCC[C@H]1O ZINC000305807532 523520584 /nfs/dbraw/zinc/52/05/84/523520584.db2.gz KMYZHDBBFIUYFC-GOEBONIOSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1CCCC[C@H]1OC ZINC000361768161 523525940 /nfs/dbraw/zinc/52/59/40/523525940.db2.gz YNEVMGIYAADPFS-GDBMZVCRSA-N 0 3 274.364 2.614 20 30 CFEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000246376505 523653694 /nfs/dbraw/zinc/65/36/94/523653694.db2.gz OJQQPXIHYHGSQD-WQBCIRTESA-N 0 3 296.461 2.789 20 30 CFEDHN COCCN(Cc1ccc(C#N)o1)C[C@H]1CC=CCC1 ZINC000361685997 523744225 /nfs/dbraw/zinc/74/42/25/523744225.db2.gz HMCBQOORHQWMOS-AWEZNQCLSA-N 0 3 274.364 2.956 20 30 CFEDHN CN1CC[C@@H](CNc2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000361155467 523957591 /nfs/dbraw/zinc/95/75/91/523957591.db2.gz WMQHFUPXNCMXII-BBRMVZONSA-N 0 3 298.415 2.542 20 30 CFEDHN CN1CC[C@H](CNc2ccnc(C#N)c2)[C@@H]1c1cccs1 ZINC000367731747 523979117 /nfs/dbraw/zinc/97/91/17/523979117.db2.gz XYOOTFOLPWVEIH-MLGOLLRUSA-N 0 3 298.415 2.542 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000300654510 524015099 /nfs/dbraw/zinc/01/50/99/524015099.db2.gz TWLHKQHHULVIQX-OLZOCXBDSA-N 0 3 262.328 2.600 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000227829736 524020281 /nfs/dbraw/zinc/02/02/81/524020281.db2.gz IFBKUQBFQMLNQC-RYUDHWBXSA-N 0 3 250.367 2.523 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000349822961 534755610 /nfs/dbraw/zinc/75/56/10/534755610.db2.gz RFGMLMKMUSQHBZ-CMPLNLGQSA-N 0 3 292.766 2.893 20 30 CFEDHN C=CCC[C@H](O)CN[C@](C)(CC)c1nc(C)cs1 ZINC000268534724 534806445 /nfs/dbraw/zinc/80/64/45/534806445.db2.gz JLACMHCAHIZFOM-GXTWGEPZSA-N 0 3 268.426 2.993 20 30 CFEDHN C[C@H](NCc1cc(C#N)cs1)[C@@H](O)Cc1ccccc1 ZINC000305213312 525430351 /nfs/dbraw/zinc/43/03/51/525430351.db2.gz QIQMDQVWWDJJDQ-LRDDRELGSA-N 0 3 286.400 2.701 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)[C@H](O)Cc1ccccc1 ZINC000305182005 525452345 /nfs/dbraw/zinc/45/23/45/525452345.db2.gz HSZNICOZCKJMSX-KBXCAEBGSA-N 0 3 280.371 2.640 20 30 CFEDHN C[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000158244058 525626817 /nfs/dbraw/zinc/62/68/17/525626817.db2.gz SOFJTRHWUARTHM-CZUORRHYSA-N 0 3 298.361 2.952 20 30 CFEDHN Cc1nc(C)c(CNC(=O)[C@H](C2CC2)N2CCCC2)o1 ZINC000329200878 534881317 /nfs/dbraw/zinc/88/13/17/534881317.db2.gz WLIFUSAHHTUPAT-AWEZNQCLSA-N 0 3 277.368 2.622 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000361867328 525826779 /nfs/dbraw/zinc/82/67/79/525826779.db2.gz YZXURQHQPHPZID-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360275261 525943239 /nfs/dbraw/zinc/94/32/39/525943239.db2.gz AEJNZASUKNGTDP-GRDNDAEWSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C(C)CN(CCCSCC#N)Cc1ccc(CO)o1 ZINC000352815602 526550822 /nfs/dbraw/zinc/55/08/22/526550822.db2.gz KUQUEYCORKXTEH-UHFFFAOYSA-N 0 3 294.420 2.797 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2CC(C)(C)C2)CC1 ZINC000352274549 526582496 /nfs/dbraw/zinc/58/24/96/526582496.db2.gz UYDAJBVDLOMWQR-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)ccc2F)CC1 ZINC000106034600 526599091 /nfs/dbraw/zinc/59/90/91/526599091.db2.gz VTHHSHTYPOAUCE-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000106039690 526600038 /nfs/dbraw/zinc/60/00/38/526600038.db2.gz ZNOJOHHOUIWXCY-UHFFFAOYSA-N 0 3 272.392 2.765 20 30 CFEDHN N#Cc1ccc(C(F)(F)F)nc1NCCN1CCCCC1 ZINC000078833887 526603355 /nfs/dbraw/zinc/60/33/55/526603355.db2.gz FMRQIJYSJXLMAI-UHFFFAOYSA-N 0 3 298.312 2.870 20 30 CFEDHN N#Cc1ccc(CN2CCC23CCC(CO)CC3)s1 ZINC000361986711 526612071 /nfs/dbraw/zinc/61/20/71/526612071.db2.gz POUOLLYHDVJPBQ-UHFFFAOYSA-N 0 3 276.405 2.747 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000336085717 526613694 /nfs/dbraw/zinc/61/36/94/526613694.db2.gz MORDWUJQMCUGSA-HOTGVXAUSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156357671 526617427 /nfs/dbraw/zinc/61/74/27/526617427.db2.gz ADBMHEIJSJNYSB-KRWDZBQOSA-N 0 3 279.343 2.607 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000236058686 526624273 /nfs/dbraw/zinc/62/42/73/526624273.db2.gz IASWQWRMTNQWEO-HUUCEWRRSA-N 0 3 276.767 2.869 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000246252521 526627110 /nfs/dbraw/zinc/62/71/10/526627110.db2.gz YLECHILCMXGUMY-NUEKZKHPSA-N 0 3 286.350 2.745 20 30 CFEDHN N#Cc1ccc(N2CC[C@H](OCCN3CCCCC3)C2)cc1 ZINC000165673739 526647037 /nfs/dbraw/zinc/64/70/37/526647037.db2.gz MXJGKLREMHOGMD-SFHVURJKSA-N 0 3 299.418 2.639 20 30 CFEDHN C=C(C)COc1cc(CNC(C)(C)CO)ccc1OC ZINC000116341136 526660885 /nfs/dbraw/zinc/66/08/85/526660885.db2.gz QNTBMEUDKHIXOS-UHFFFAOYSA-N 0 3 279.380 2.511 20 30 CFEDHN N#Cc1ccc([C@H](NCCC2CCCCC2)C(N)=O)cc1 ZINC000360058287 526687981 /nfs/dbraw/zinc/68/79/81/526687981.db2.gz BGDZLGNXZLUYJC-INIZCTEOSA-N 0 3 285.391 2.645 20 30 CFEDHN N#Cc1cccc(CNCCOc2ccccc2F)c1 ZINC000340372199 526707725 /nfs/dbraw/zinc/70/77/25/526707725.db2.gz NKLRRNKUWCNVLQ-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2COc3ccccc3C2)c1 ZINC000195252051 526709551 /nfs/dbraw/zinc/70/95/51/526709551.db2.gz AKOLKUXLQAMRFV-INIZCTEOSA-N 0 3 264.328 2.652 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]1C1CCOCC1 ZINC000336351896 526735972 /nfs/dbraw/zinc/73/59/72/526735972.db2.gz VJTRQRWVFWZLBS-QGZVFWFLSA-N 0 3 270.376 2.949 20 30 CFEDHN N#Cc1ccnc(N[C@@H]2CCN3CCCC[C@@H]23)c1Cl ZINC000236051333 526762948 /nfs/dbraw/zinc/76/29/48/526762948.db2.gz FGTZCNBJOCJUIV-NEPJUHHUSA-N 0 3 276.771 2.645 20 30 CFEDHN N#Cc1csc(CN[C@H](CO)CC2CCCC2)c1 ZINC000337803536 526783801 /nfs/dbraw/zinc/78/38/01/526783801.db2.gz JNMFWGJWBQFIJD-ZDUSSCGKSA-N 0 3 264.394 2.651 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)C(F)F)cc1Cl ZINC000344752633 526886047 /nfs/dbraw/zinc/88/60/47/526886047.db2.gz FYAMXJGXLXKTSJ-LLVKDONJSA-N 0 3 291.725 2.620 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)Cc2ccccc2)cc1 ZINC000105493592 526886135 /nfs/dbraw/zinc/88/61/35/526886135.db2.gz XLPYHCXYFYVIID-GOSISDBHSA-N 0 3 297.398 2.945 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@@H]2C)cc1OC ZINC000344415491 526888929 /nfs/dbraw/zinc/88/89/29/526888929.db2.gz XMXLHRSHJUPMBQ-DYVFJYSZSA-N 0 3 291.391 2.917 20 30 CFEDHN COC[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000449759817 536505533 /nfs/dbraw/zinc/50/55/33/536505533.db2.gz KTYDEBJUJDRQJO-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000347811811 526970502 /nfs/dbraw/zinc/97/05/02/526970502.db2.gz CTCRWNMDQBTNKB-MRXNPFEDSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000335262665 526971336 /nfs/dbraw/zinc/97/13/36/526971336.db2.gz MMBMYWLBQXJDOE-UHFFFAOYSA-N 0 3 271.364 2.720 20 30 CFEDHN C=CC[C@@H](CC)NCc1ncc(CN(C)C)s1 ZINC000352867256 527053683 /nfs/dbraw/zinc/05/36/83/527053683.db2.gz OPJJKFDNHDFBKT-LLVKDONJSA-N 0 3 253.415 2.649 20 30 CFEDHN C=CCCCC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344618713 527108687 /nfs/dbraw/zinc/10/86/87/527108687.db2.gz PUSKCYJFSPYCNG-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@H](CO)NCc1cnc(-c2ccc(C)o2)s1 ZINC000351603329 527209225 /nfs/dbraw/zinc/20/92/25/527209225.db2.gz KFUPXONFTDYKRO-LLVKDONJSA-N 0 3 278.377 2.738 20 30 CFEDHN Cn1cc(CNCc2ccc3ncccc3c2)cc1C#N ZINC000192978671 527220422 /nfs/dbraw/zinc/22/04/22/527220422.db2.gz NEWNHJJBVGNGJB-UHFFFAOYSA-N 0 3 276.343 2.735 20 30 CFEDHN CC(C)(C#N)CCCN[C@H](CO)c1ccsc1 ZINC000352033156 527464367 /nfs/dbraw/zinc/46/43/67/527464367.db2.gz QVJJTJQLOIDYHP-GFCCVEGCSA-N 0 3 252.383 2.701 20 30 CFEDHN C=CCC[C@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417906168 527476138 /nfs/dbraw/zinc/47/61/38/527476138.db2.gz BFODBSONUOWHQB-INIZCTEOSA-N 0 3 287.407 2.699 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000344232272 527494829 /nfs/dbraw/zinc/49/48/29/527494829.db2.gz QSXRFGUQOZEUIE-GJZGRUSLSA-N 0 3 283.799 2.944 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000353570931 527593952 /nfs/dbraw/zinc/59/39/52/527593952.db2.gz OEJXOFZIVVRXCL-SUMWQHHRSA-N 0 3 268.360 2.946 20 30 CFEDHN Cn1nccc1[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000336360306 527629705 /nfs/dbraw/zinc/62/97/05/527629705.db2.gz AMITUVMHDUXUJL-LBPRGKRZSA-N 0 3 286.404 2.733 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1cc(C)nc(C)n1)C(C)C ZINC000352753534 527645825 /nfs/dbraw/zinc/64/58/25/527645825.db2.gz ADRKXFOUPBABSV-INIZCTEOSA-N 0 3 288.439 2.626 20 30 CFEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)O ZINC000352231200 527879434 /nfs/dbraw/zinc/87/94/34/527879434.db2.gz PXGVFDYCROSLDB-LBPRGKRZSA-N 0 3 285.309 2.760 20 30 CFEDHN CCCN(CCc1cccs1)C(=O)C(C)C#N ZINC000344795313 528114396 /nfs/dbraw/zinc/11/43/96/528114396.db2.gz NJHXFOQBAPSICF-NSHDSACASA-N 0 3 250.367 2.689 20 30 CFEDHN CC(C)c1nc([C@H]2CCCCCN2C(=O)C(C)C#N)no1 ZINC000355059946 528314602 /nfs/dbraw/zinc/31/46/02/528314602.db2.gz OSVXTUIAHDEQEQ-VXGBXAGGSA-N 0 3 290.367 2.796 20 30 CFEDHN CCCc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000355096208 528597993 /nfs/dbraw/zinc/59/79/93/528597993.db2.gz ISQCQAXBHJQUMU-HNNXBMFYSA-N 0 3 294.358 2.931 20 30 CFEDHN CC(C)N(C)CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352207574 528811545 /nfs/dbraw/zinc/81/15/45/528811545.db2.gz ZQPBUVVYICYENC-INIZCTEOSA-N 0 3 287.407 2.878 20 30 CFEDHN CC1(C)CCC([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330259942 528893452 /nfs/dbraw/zinc/89/34/52/528893452.db2.gz SKDHBXVYWQCWOC-CYBMUJFWSA-N 0 3 290.411 2.670 20 30 CFEDHN CC1(C)CCC(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330259942 528893457 /nfs/dbraw/zinc/89/34/57/528893457.db2.gz SKDHBXVYWQCWOC-CYBMUJFWSA-N 0 3 290.411 2.670 20 30 CFEDHN CCC1(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCC1 ZINC000330188230 529032380 /nfs/dbraw/zinc/03/23/80/529032380.db2.gz LAUUNFFHFIDQNP-ZDUSSCGKSA-N 0 3 290.411 2.672 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)o1)C1(O)CCCC1 ZINC000449737568 535147094 /nfs/dbraw/zinc/14/70/94/535147094.db2.gz SGFVTSMHKYSLGS-UHFFFAOYSA-N 0 3 262.353 2.572 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000435784803 535565548 /nfs/dbraw/zinc/56/55/48/535565548.db2.gz IVUOPMROKWZGPO-WQVCFCJDSA-N 0 3 286.375 2.941 20 30 CFEDHN CCC[C@H](C)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355467649 535609522 /nfs/dbraw/zinc/60/95/22/535609522.db2.gz LGDOTFFTLYVNKY-AWEZNQCLSA-N 0 3 272.396 2.511 20 30 CFEDHN CC[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000447527074 535804920 /nfs/dbraw/zinc/80/49/20/535804920.db2.gz DWQRQTJELHDTEU-NEPJUHHUSA-N 0 3 272.270 2.522 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1cccs1 ZINC000248000760 536132256 /nfs/dbraw/zinc/13/22/56/536132256.db2.gz NRHLMQLKGSADND-LBPRGKRZSA-N 0 3 272.377 2.730 20 30 CFEDHN COC(=O)[C@@]12CN(Cc3ccccc3C#N)C[C@@H]1CCCC2 ZINC000342126469 536588248 /nfs/dbraw/zinc/58/82/48/536588248.db2.gz QEEFYILNUFQUHB-WMZOPIPTSA-N 0 3 298.386 2.723 20 30 CFEDHN C=CCOCCNCc1ccccc1OC(F)(F)F ZINC000311638223 545517168 /nfs/dbraw/zinc/51/71/68/545517168.db2.gz ONMVFUNXJKERRB-UHFFFAOYSA-N 0 3 275.270 2.877 20 30 CFEDHN C#C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000491363346 545518396 /nfs/dbraw/zinc/51/83/96/545518396.db2.gz YYOBVMBBSWTMSU-HZPDHXFCSA-N 0 3 282.387 2.923 20 30 CFEDHN C#C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(C)C ZINC000491363344 545518430 /nfs/dbraw/zinc/51/84/30/545518430.db2.gz YYOBVMBBSWTMSU-CVEARBPZSA-N 0 3 282.387 2.923 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001085807742 782171891 /nfs/dbraw/zinc/17/18/91/782171891.db2.gz OFSBYEXAMQLXOC-QLFBSQMISA-N 0 3 264.413 2.531 20 30 CFEDHN CC(=CC(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(C)C ZINC000744038927 574049852 /nfs/dbraw/zinc/04/98/52/574049852.db2.gz DHQGHKJEAYGFNY-ZKQHCESOSA-N 0 3 285.347 2.721 20 30 CFEDHN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753928431 574055690 /nfs/dbraw/zinc/05/56/90/574055690.db2.gz JYTCMFAIPAIEOD-GASCZTMLSA-N 0 3 270.380 2.661 20 30 CFEDHN CC(C)CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccn1 ZINC000753934826 574055930 /nfs/dbraw/zinc/05/59/30/574055930.db2.gz KHURXANRGLJDHU-GASCZTMLSA-N 0 3 299.422 2.692 20 30 CFEDHN CCCCCCCC(=O)N1CCC[C@@H]1CN(C)C ZINC000727759084 574064352 /nfs/dbraw/zinc/06/43/52/574064352.db2.gz PUVAZLGXCSIGBY-CQSZACIVSA-N 0 3 254.418 2.900 20 30 CFEDHN CCCCN(C)CCNc1cc(C#N)ccc1C(C)=O ZINC000754038606 574064644 /nfs/dbraw/zinc/06/46/44/574064644.db2.gz UKMWKTFKAXEYOT-UHFFFAOYSA-N 0 3 273.380 2.905 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000736680688 574064918 /nfs/dbraw/zinc/06/49/18/574064918.db2.gz CIIFSHSEMAUFLT-RNCFNFMXSA-N 0 3 264.275 2.788 20 30 CFEDHN CO[C@@H](CNCc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000744449207 574074788 /nfs/dbraw/zinc/07/47/88/574074788.db2.gz SPSVETFFEMZRDY-CJNGLKHVSA-N 0 3 276.380 2.738 20 30 CFEDHN CC1(CN[C@@H]2CCCc3cc(C#N)ccc32)OCCCO1 ZINC000754128645 574076377 /nfs/dbraw/zinc/07/63/77/574076377.db2.gz VWXXHDUMDCQPLW-MRXNPFEDSA-N 0 3 286.375 2.678 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C#N)cn2)CS1 ZINC000754150529 574078153 /nfs/dbraw/zinc/07/81/53/574078153.db2.gz TUYCCGUKIXKOEV-KBPBESRZSA-N 0 3 275.421 2.963 20 30 CFEDHN CC(C)N1CC(N=Nc2ncccc2Cl)[C@@H](C)C1 ZINC000754256490 574084616 /nfs/dbraw/zinc/08/46/16/574084616.db2.gz DGOHATHVPPKASU-JTQLQIEISA-N 0 3 266.776 2.863 20 30 CFEDHN CC(C)N1CC(N=Nc2cnnc3ccccc23)[C@@H](C)C1 ZINC000754259134 574084670 /nfs/dbraw/zinc/08/46/70/574084670.db2.gz MASALKPVJOTLIV-LBPRGKRZSA-N 0 3 283.379 2.758 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754407586 574094316 /nfs/dbraw/zinc/09/43/16/574094316.db2.gz HFDUUSSHSAXRAM-TZMCWYRMSA-N 0 3 280.412 2.681 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@](C)(CC)c2ccccc2)CC1 ZINC000730763436 574096023 /nfs/dbraw/zinc/09/60/23/574096023.db2.gz AZTHVSIQHGVJJV-LJQANCHMSA-N 0 3 298.430 2.773 20 30 CFEDHN CC(C)c1nc(C#N)c(N=NC2CN(C(C)C)C[C@@H]2C)o1 ZINC000754259760 574097100 /nfs/dbraw/zinc/09/71/00/574097100.db2.gz PVUIEUYDYPKEQX-NSHDSACASA-N 0 3 289.383 2.798 20 30 CFEDHN CC(C)c1nc(C#N)c(N=NC2CN(C(C)C)C[C@H]2C)o1 ZINC000754259758 574097365 /nfs/dbraw/zinc/09/73/65/574097365.db2.gz PVUIEUYDYPKEQX-LLVKDONJSA-N 0 3 289.383 2.798 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNCCOC(C)(C)C)cc1 ZINC000728711489 574105596 /nfs/dbraw/zinc/10/55/96/574105596.db2.gz BDPKESOULIYULR-CYBMUJFWSA-N 0 3 276.380 2.882 20 30 CFEDHN C#CCOc1ccc(NC(=O)[C@H]2CCCN2CCC)cc1 ZINC000731012071 574106962 /nfs/dbraw/zinc/10/69/62/574106962.db2.gz DGNQCHYSBVSKKJ-MRXNPFEDSA-N 0 3 286.375 2.512 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000728766610 574107127 /nfs/dbraw/zinc/10/71/27/574107127.db2.gz DEUPRNFDONZUIY-CVEARBPZSA-N 0 3 298.386 2.827 20 30 CFEDHN CCCCCCCC(=O)NC[C@H]1CCCN(C)C1 ZINC000731025746 574107359 /nfs/dbraw/zinc/10/73/59/574107359.db2.gz YRYQJUYWLQITCR-CQSZACIVSA-N 0 3 254.418 2.805 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000731135511 574110936 /nfs/dbraw/zinc/11/09/36/574110936.db2.gz AVWCYVDZPREQCQ-ZBFHGGJFSA-N 0 3 296.370 2.508 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)s1 ZINC000754667691 574111777 /nfs/dbraw/zinc/11/17/77/574111777.db2.gz AOVYFWVTWJKBEE-YPMHNXCESA-N 0 3 293.436 2.715 20 30 CFEDHN Fc1ccc(NN=Cc2ccc(-n3ccnc3)cc2)nc1 ZINC000731318620 574116575 /nfs/dbraw/zinc/11/65/75/574116575.db2.gz MCMKWPWSHYJOSK-UHFFFAOYSA-N 0 3 281.294 2.852 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+](C)CC(C)(C)OC)c1[O-] ZINC000754741248 574117957 /nfs/dbraw/zinc/11/79/57/574117957.db2.gz ZTMFLTPFAWEKKM-UHFFFAOYSA-N 0 3 293.407 2.986 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+](C)CC(C)(C)OC)c1[O-] ZINC000754741248 574117959 /nfs/dbraw/zinc/11/79/59/574117959.db2.gz ZTMFLTPFAWEKKM-UHFFFAOYSA-N 0 3 293.407 2.986 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1ccc(Cl)cc1 ZINC000746456810 574149387 /nfs/dbraw/zinc/14/93/87/574149387.db2.gz KUFUSEMDRWRLKA-UHFFFAOYSA-N 0 3 264.756 2.624 20 30 CFEDHN C#CCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000732667567 574165078 /nfs/dbraw/zinc/16/50/78/574165078.db2.gz RCTJGQWRGWTYEI-UHFFFAOYSA-N 0 3 286.463 2.844 20 30 CFEDHN COc1ccc(CNCc2[nH]nc3ccccc32)cc1C#N ZINC000746740615 574165406 /nfs/dbraw/zinc/16/54/06/574165406.db2.gz GKYXXKWPBWUGIS-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C#Cc2ccccc2)C1 ZINC000747368180 574193298 /nfs/dbraw/zinc/19/32/98/574193298.db2.gz APANFLOAWCNMDK-INIZCTEOSA-N 0 3 298.430 2.665 20 30 CFEDHN C=CCOc1ccc(C(=O)N[C@H](CN(C)C)C(C)C)cc1 ZINC000733164650 574193508 /nfs/dbraw/zinc/19/35/08/574193508.db2.gz ANMKRQYFQAGRSR-MRXNPFEDSA-N 0 3 290.407 2.567 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C(F)(F)F)cn1 ZINC000755879545 574193792 /nfs/dbraw/zinc/19/37/92/574193792.db2.gz LXAHVSFPYYEJAD-SECBINFHSA-N 0 3 298.312 2.982 20 30 CFEDHN COc1cccc2c1CC[C@H](NCc1ccc(C#N)cn1)C2 ZINC000756052393 574206766 /nfs/dbraw/zinc/20/67/66/574206766.db2.gz AILVIARTEYNXKD-HNNXBMFYSA-N 0 3 293.370 2.609 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000739901423 574228306 /nfs/dbraw/zinc/22/83/06/574228306.db2.gz ASHBTIWPLBCTHZ-LBPRGKRZSA-N 0 3 254.374 2.552 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)C2CC2)CC1 ZINC000729976931 574240738 /nfs/dbraw/zinc/24/07/38/574240738.db2.gz DJNUMHKVPBLFLX-ZDUSSCGKSA-N 0 3 264.413 2.579 20 30 CFEDHN C#Cc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)nc1 ZINC000733783190 574256680 /nfs/dbraw/zinc/25/66/80/574256680.db2.gz ZNIKVVKJGOMIPE-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN C=CCCCC(=O)N(C)c1ccc(OCCN(C)C)cc1 ZINC000748538388 574257325 /nfs/dbraw/zinc/25/73/25/574257325.db2.gz CPEBGGYQGWLEGO-UHFFFAOYSA-N 0 3 290.407 2.946 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000740737258 574264914 /nfs/dbraw/zinc/26/49/14/574264914.db2.gz HXRHVDMDOXTKCQ-UHFFFAOYSA-N 0 3 296.823 2.619 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2ccc(C)cc2C)CC1 ZINC000740737733 574265040 /nfs/dbraw/zinc/26/50/40/574265040.db2.gz UUQOYNAPBFRNFD-UHFFFAOYSA-N 0 3 284.403 2.521 20 30 CFEDHN CC(C)(C)CC(=NNC(=N)N)c1ccc(Cl)cc1 ZINC000740759830 574266005 /nfs/dbraw/zinc/26/60/05/574266005.db2.gz ASXBIKYHRIJTEF-UHFFFAOYSA-N 0 3 266.776 2.963 20 30 CFEDHN C[C@H]1CC(N=Nc2cnccn2)CCN1Cc1ccccc1 ZINC000734298728 574280769 /nfs/dbraw/zinc/28/07/69/574280769.db2.gz JJSZYXNWGRSTLI-AWEZNQCLSA-N 0 3 295.390 2.929 20 30 CFEDHN C[C@H]1CC(=NNC(=S)Nc2ccc(F)cc2)CCN1C ZINC000741458338 574290653 /nfs/dbraw/zinc/29/06/53/574290653.db2.gz UDFHLKCBLIIQBL-JTQLQIEISA-N 0 3 294.399 2.582 20 30 CFEDHN CCN1CCC(=NNC(=S)NC2CCCCC2)[C@H](C)C1 ZINC000741457521 574290915 /nfs/dbraw/zinc/29/09/15/574290915.db2.gz MNOMZWKWKYRJKC-GFCCVEGCSA-N 0 3 296.484 2.501 20 30 CFEDHN CCCCCCCCOCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000741721641 574299697 /nfs/dbraw/zinc/29/96/97/574299697.db2.gz AIWFWUOPIULWAW-CVEARBPZSA-N 0 3 298.471 2.962 20 30 CFEDHN CCCCCCCCOCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741721648 574299990 /nfs/dbraw/zinc/29/99/90/574299990.db2.gz AIWFWUOPIULWAW-JKSUJKDBSA-N 0 3 298.471 2.962 20 30 CFEDHN CC#CCN(CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741784210 574302992 /nfs/dbraw/zinc/30/29/92/574302992.db2.gz GYXQFYUODZPVJW-AWEZNQCLSA-N 0 3 280.412 2.731 20 30 CFEDHN C#CCN(CCC(=O)NCCCC)[C@@H]1CCc2ccccc21 ZINC000734835438 574305094 /nfs/dbraw/zinc/30/50/94/574305094.db2.gz VXZXHEYSIORHGH-GOSISDBHSA-N 0 3 298.430 2.916 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000735206180 574316338 /nfs/dbraw/zinc/31/63/38/574316338.db2.gz AKJNVPQPZXBQTJ-ZQNFCJTASA-N 0 3 256.305 2.690 20 30 CFEDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(C)C#N ZINC000742246272 574321565 /nfs/dbraw/zinc/32/15/65/574321565.db2.gz XMPYHJSQTJRYTI-CYBMUJFWSA-N 0 3 273.380 2.649 20 30 CFEDHN C=C1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402840 574323718 /nfs/dbraw/zinc/32/37/18/574323718.db2.gz LEYDNWHRGCTZTI-GFCCVEGCSA-N 0 3 269.352 2.580 20 30 CFEDHN CC(C)(CCC#N)CNCC(=O)Nc1ccc(F)c(F)c1 ZINC000742366278 574324487 /nfs/dbraw/zinc/32/44/87/574324487.db2.gz RRPKLFBHYBYGHZ-UHFFFAOYSA-N 0 3 295.333 2.823 20 30 CFEDHN CN(CCC#N)c1ccc(CNCCOC2CCC2)cc1 ZINC000742385778 574326447 /nfs/dbraw/zinc/32/64/47/574326447.db2.gz TXPDPSKUUGVFHG-UHFFFAOYSA-N 0 3 287.407 2.695 20 30 CFEDHN CCCCCCN(C)CC(=O)N(CCC#N)C(C)C ZINC000735653130 574332110 /nfs/dbraw/zinc/33/21/10/574332110.db2.gz CCOXPINZIASMQV-UHFFFAOYSA-N 0 3 267.417 2.649 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3CCOCC3)nc21 ZINC000735789142 574335346 /nfs/dbraw/zinc/33/53/46/574335346.db2.gz KDHOABZUODWVGW-ZDUSSCGKSA-N 0 3 297.358 2.864 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC3CCOCC3)[nH]c21 ZINC000735789142 574335349 /nfs/dbraw/zinc/33/53/49/574335349.db2.gz KDHOABZUODWVGW-ZDUSSCGKSA-N 0 3 297.358 2.864 20 30 CFEDHN C#CCOc1cc(F)ccc1NC(=O)C(C)C(F)(F)F ZINC000742707228 574340562 /nfs/dbraw/zinc/34/05/62/574340562.db2.gz LCQDQCDQWJXMOU-QMMMGPOBSA-N 0 3 289.228 2.975 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)[C@H](CC)N(CC)CC)c1 ZINC000736012545 574347312 /nfs/dbraw/zinc/34/73/12/574347312.db2.gz GNCWNPRAVAVURJ-INIZCTEOSA-N 0 3 272.392 2.751 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)[C@@H](CC)N(CC)CC)c1 ZINC000736012547 574347452 /nfs/dbraw/zinc/34/74/52/574347452.db2.gz GNCWNPRAVAVURJ-MRXNPFEDSA-N 0 3 272.392 2.751 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCCC(C)(C)C)CC1 ZINC000743492106 574366934 /nfs/dbraw/zinc/36/69/34/574366934.db2.gz PRDAZYJJSHWLCN-UHFFFAOYSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](CC)C2CCCCC2)CC1 ZINC000751191531 574371238 /nfs/dbraw/zinc/37/12/38/574371238.db2.gz OVCICMSTVMMCPP-KRWDZBQOSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)/C(C)=C\C)C(C)C ZINC000751383486 574376154 /nfs/dbraw/zinc/37/61/54/574376154.db2.gz WMCMRFVENIKINE-KQGZCTBQSA-N 0 3 264.413 2.767 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)/C(C)=C/C)C(C)C ZINC000751383484 574376183 /nfs/dbraw/zinc/37/61/83/574376183.db2.gz WMCMRFVENIKINE-AAWPKVBNSA-N 0 3 264.413 2.767 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ncnc2c3ccccc3oc21 ZINC000752163209 574388790 /nfs/dbraw/zinc/38/87/90/574388790.db2.gz SOLSYRAHCBRWTD-SNVBAGLBSA-N 0 3 295.346 2.725 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000752762292 574394878 /nfs/dbraw/zinc/39/48/78/574394878.db2.gz REWOKIHJXZRJBV-LLVKDONJSA-N 0 3 260.312 2.691 20 30 CFEDHN C#CCSCCNCc1cnc(-c2ccncc2)s1 ZINC000753371724 574401796 /nfs/dbraw/zinc/40/17/96/574401796.db2.gz PEGQKKIOYUWRRN-UHFFFAOYSA-N 0 3 289.429 2.661 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cccnc1Cl ZINC000775422306 628024652 /nfs/dbraw/zinc/02/46/52/628024652.db2.gz LUEJWIAIXIIDKC-WDEREUQCSA-N 0 3 254.761 2.570 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@H]1CCC2(CCC2)O1 ZINC000901631799 620876050 /nfs/dbraw/zinc/87/60/50/620876050.db2.gz POVVMIQVAHNJRK-UONOGXRCSA-N 0 3 261.369 2.511 20 30 CFEDHN COc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC000900437584 620677043 /nfs/dbraw/zinc/67/70/43/620677043.db2.gz CPDWEFIAEUFCAZ-ZFWWWQNUSA-N 0 3 299.374 2.522 20 30 CFEDHN C#CCCN1CCCCC[C@H]1CNC(=O)c1cccs1 ZINC000968738288 613001521 /nfs/dbraw/zinc/00/15/21/613001521.db2.gz RJWOVSVEOFYGHR-AWEZNQCLSA-N 0 3 290.432 2.746 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665112 613013398 /nfs/dbraw/zinc/01/33/98/613013398.db2.gz NEVSYBLSXFEJKM-WBVHZDCISA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 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C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024664258 618437250 /nfs/dbraw/zinc/43/72/50/618437250.db2.gz PXZAJGPRKGGGBN-OAHLLOKOSA-N 0 3 297.402 2.938 20 30 CFEDHN N#CCC1(CNCc2cc(O)cc(Cl)c2)CC1 ZINC000894197241 618437654 /nfs/dbraw/zinc/43/76/54/618437654.db2.gz FJZAXNCETWZQKV-UHFFFAOYSA-N 0 3 250.729 2.829 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001024710593 618450853 /nfs/dbraw/zinc/45/08/53/618450853.db2.gz XDFRYGXQHIEFLT-HNNXBMFYSA-N 0 3 290.432 2.664 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745307 618459648 /nfs/dbraw/zinc/45/96/48/618459648.db2.gz SPYNWOXDBYHZNE-JKSUJKDBSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773022 618466845 /nfs/dbraw/zinc/46/68/45/618466845.db2.gz AEDOYSFSASHRKJ-KRWDZBQOSA-N 0 3 284.403 2.603 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785446 618469513 /nfs/dbraw/zinc/46/95/13/618469513.db2.gz KJQOUXOYEUSQRX-QGZVFWFLSA-N 0 3 298.430 2.911 20 30 CFEDHN 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20 30 CFEDHN CC(C)N1CCCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931848171 619128396 /nfs/dbraw/zinc/12/83/96/619128396.db2.gz UVYDZCDWSFSFJN-UHFFFAOYSA-N 0 3 292.408 2.568 20 30 CFEDHN C=C(Br)CN[C@H]1CCOC12CCCCC2 ZINC000924961542 619304888 /nfs/dbraw/zinc/30/48/88/619304888.db2.gz RVRQVWLBHZJZLI-NSHDSACASA-N 0 3 274.202 2.976 20 30 CFEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)NC1CCCCC1 ZINC000048541049 619353794 /nfs/dbraw/zinc/35/37/94/619353794.db2.gz BLIMKADJBXKBFZ-JSGCOSHPSA-N 0 3 274.364 2.500 20 30 CFEDHN CC(C)(CCC#N)CNCc1cn(Cc2ccccc2)nn1 ZINC000894514884 619406860 /nfs/dbraw/zinc/40/68/60/619406860.db2.gz QCBFCQVIZLVNFZ-UHFFFAOYSA-N 0 3 297.406 2.746 20 30 CFEDHN C=C(CNC(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000894847764 619481626 /nfs/dbraw/zinc/48/16/26/619481626.db2.gz GARAEBRJWIEIJV-IAGOWNOFSA-N 0 3 299.418 2.578 20 30 CFEDHN COC(=O)c1c[nH]c(CNCC(C)(C)CC#N)c1C1CC1 ZINC000894855635 619484153 /nfs/dbraw/zinc/48/41/53/619484153.db2.gz MOSJICVQFCOWHQ-UHFFFAOYSA-N 0 3 289.379 2.708 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000895669935 619582415 /nfs/dbraw/zinc/58/24/15/619582415.db2.gz LZRLZOVCKRUEHW-UHFFFAOYSA-N 0 3 299.370 2.792 20 30 CFEDHN C#Cc1ccc(CN(CCO)Cc2ccc(OC)cc2)cc1 ZINC000895710094 619590141 /nfs/dbraw/zinc/59/01/41/619590141.db2.gz GBRYFMVYWNZWDX-UHFFFAOYSA-N 0 3 295.382 2.671 20 30 CFEDHN C=CCC1(O)CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000895836210 619620179 /nfs/dbraw/zinc/62/01/79/619620179.db2.gz YQLLOWZMDRRMDJ-UHFFFAOYSA-N 0 3 285.387 2.865 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(C)c(Br)cn1 ZINC000883399405 619720410 /nfs/dbraw/zinc/72/04/10/619720410.db2.gz LQAGUJOBHSXSLC-LBPRGKRZSA-N 0 3 299.212 2.569 20 30 CFEDHN C#CCCCCCCNCc1cn(C)nc1Br ZINC000896280821 619709353 /nfs/dbraw/zinc/70/93/53/619709353.db2.gz CWVNGKFOLWTKQE-UHFFFAOYSA-N 0 3 298.228 2.856 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cccc(F)c1F ZINC000883390408 619715534 /nfs/dbraw/zinc/71/55/34/619715534.db2.gz LKOGGWMLJFOELF-WDEREUQCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CC[C@H](C)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896413447 619732298 /nfs/dbraw/zinc/73/22/98/619732298.db2.gz FFENNJCDSIGCNY-XJKSGUPXSA-N 0 3 290.407 2.815 20 30 CFEDHN Cc1cc(N2CCC(c3ccc(C#N)cc3)CC2)nc(N)n1 ZINC000896862806 619848442 /nfs/dbraw/zinc/84/84/42/619848442.db2.gz JQJBMHXLVYLLCV-UHFFFAOYSA-N 0 3 293.374 2.623 20 30 CFEDHN C#CCOc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000897033182 619915381 /nfs/dbraw/zinc/91/53/81/619915381.db2.gz DOLUAUNWHWPVPG-UHFFFAOYSA-N 0 3 299.414 2.826 20 30 CFEDHN C=CCC(C)(C)CNCc1nc(Br)c[nH]1 ZINC000310520938 619929916 /nfs/dbraw/zinc/92/99/16/619929916.db2.gz WRZZFMFIRWMZBC-UHFFFAOYSA-N 0 3 272.190 2.864 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCCCCC2)CC1 ZINC000171737966 620076334 /nfs/dbraw/zinc/07/63/34/620076334.db2.gz DTZUHOOAQZFSEB-UHFFFAOYSA-N 0 3 279.428 2.613 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2scc(C)c2Cl)C1 ZINC000988874256 620226437 /nfs/dbraw/zinc/22/64/37/620226437.db2.gz CQUPUPJLXROHIT-MNOVXSKESA-N 0 3 296.823 2.536 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000988926279 620227392 /nfs/dbraw/zinc/22/73/92/620227392.db2.gz GLKSMZUQDHCCNJ-KBXCAEBGSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)C2CCCCCCC2)C1 ZINC000989162798 620235360 /nfs/dbraw/zinc/23/53/60/620235360.db2.gz WYDGCBCXMZUGKC-HOCLYGCPSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)C2CCCCCCC2)C1 ZINC000989162797 620235561 /nfs/dbraw/zinc/23/55/61/620235561.db2.gz WYDGCBCXMZUGKC-GOEBONIOSA-N 0 3 276.424 2.559 20 30 CFEDHN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)s1 ZINC000897602228 620256145 /nfs/dbraw/zinc/25/61/45/620256145.db2.gz JXLNBXBFDGKQSO-UHFFFAOYSA-N 0 3 277.389 2.894 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H](C)c1cncs1 ZINC000897931043 620302224 /nfs/dbraw/zinc/30/22/24/620302224.db2.gz VFGFWFIFTSIKBE-NEPJUHHUSA-N 0 3 279.409 2.893 20 30 CFEDHN CC1(C)CC2(CC(NCc3ccc(C#N)o3)C2)CO1 ZINC000897973562 620306775 /nfs/dbraw/zinc/30/67/75/620306775.db2.gz VQICRSNNUSGGCK-UHFFFAOYSA-N 0 3 260.337 2.589 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CC2CCCCCC2)C1 ZINC000989493831 620379035 /nfs/dbraw/zinc/37/90/35/620379035.db2.gz WSLZVMKIARSYAY-GOEBONIOSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000989829749 620393471 /nfs/dbraw/zinc/39/34/71/620393471.db2.gz VZQHCDRJEHHDSK-UKRRQHHQSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)C)s2)C1 ZINC000989837313 620394160 /nfs/dbraw/zinc/39/41/60/620394160.db2.gz AKYJYZRHKZAMJO-STQMWFEESA-N 0 3 290.432 2.697 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989913605 620401813 /nfs/dbraw/zinc/40/18/13/620401813.db2.gz UBKAFTIHVCVSJF-GOEBONIOSA-N 0 3 274.364 2.583 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(F)c3)CCC[C@H]12 ZINC000989916196 620401922 /nfs/dbraw/zinc/40/19/22/620401922.db2.gz QOVZNELLNCDWHX-DOTOQJQBSA-N 0 3 288.366 2.739 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989922701 620402130 /nfs/dbraw/zinc/40/21/30/620402130.db2.gz RNMVWDCUOQHZTI-HIFRSBDPSA-N 0 3 276.405 2.661 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C3=CCCCCC3)CCC[C@@H]12 ZINC000990414155 620419050 /nfs/dbraw/zinc/41/90/50/620419050.db2.gz DSDVKBBOZGSEFJ-SJLPKXTDSA-N 0 3 286.419 2.623 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C3=CCCCCC3)CCC[C@@H]12 ZINC000990414148 620419161 /nfs/dbraw/zinc/41/91/61/620419161.db2.gz DSDVKBBOZGSEFJ-AEFFLSMTSA-N 0 3 286.419 2.623 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990611534 620434904 /nfs/dbraw/zinc/43/49/04/620434904.db2.gz FOWYHKWRCLJDPB-SJLPKXTDSA-N 0 3 286.419 2.623 20 30 CFEDHN CN(CCC#N)c1ccc(CNC/C=C/Cl)cc1 ZINC000898434882 620464134 /nfs/dbraw/zinc/46/41/34/620464134.db2.gz CKRDDPVMQMVRJZ-KRXBUXKQSA-N 0 3 263.772 2.879 20 30 CFEDHN CCc1noc(C)c1[C@@H](C)NCCNc1ccc(C#N)cn1 ZINC000927165705 620519855 /nfs/dbraw/zinc/51/98/55/620519855.db2.gz TZAVJWCUBJBQCM-LLVKDONJSA-N 0 3 299.378 2.575 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000899812605 620601889 /nfs/dbraw/zinc/60/18/89/620601889.db2.gz BHGQLHRPNGHPGC-UHFFFAOYSA-N 0 3 299.418 2.731 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000901568472 620859722 /nfs/dbraw/zinc/85/97/22/620859722.db2.gz XHSOTLIXOBSTGI-IJLUTSLNSA-N 0 3 289.301 2.520 20 30 CFEDHN CC1(C)C[C@@H](CNC[C@@H](C#N)CCC#N)C(C)(C)O1 ZINC000901624806 620874474 /nfs/dbraw/zinc/87/44/74/620874474.db2.gz RAYJNVXBKNGQEB-OLZOCXBDSA-N 0 3 263.385 2.613 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@H]1CCC(F)(F)C1 ZINC000901674813 620881993 /nfs/dbraw/zinc/88/19/93/620881993.db2.gz VSNJOJZUOOAADK-NEPJUHHUSA-N 0 3 255.312 2.845 20 30 CFEDHN C=CCCCN(CC)Cn1cc(-c2ccncn2)cn1 ZINC000902670184 621148589 /nfs/dbraw/zinc/14/85/89/621148589.db2.gz ZFFJBVMCDCTHBF-UHFFFAOYSA-N 0 3 271.368 2.586 20 30 CFEDHN Cc1nc(CCN[C@H](C)c2cc(C#N)ccn2)cs1 ZINC000902736186 621161346 /nfs/dbraw/zinc/16/13/46/621161346.db2.gz FNUZFVLZBKLOPI-SNVBAGLBSA-N 0 3 272.377 2.612 20 30 CFEDHN Cc1csc(CCN[C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902742413 621163019 /nfs/dbraw/zinc/16/30/19/621163019.db2.gz PLASFLQKYAWPGD-NSHDSACASA-N 0 3 272.377 2.612 20 30 CFEDHN C[C@H](NCCN(C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902759785 621166620 /nfs/dbraw/zinc/16/66/20/621166620.db2.gz FHBYQWGXYHXJJI-HNNXBMFYSA-N 0 3 294.402 2.736 20 30 CFEDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(C#N)ccn1 ZINC000902792455 621177713 /nfs/dbraw/zinc/17/77/13/621177713.db2.gz AGRZQKHBMYJMPV-LBPRGKRZSA-N 0 3 296.330 2.755 20 30 CFEDHN C=CCC[C@H](NCc1cc[nH]n1)[C@@]1(C)CCCCO1 ZINC000902796919 621179242 /nfs/dbraw/zinc/17/92/42/621179242.db2.gz WIBLWGCBKRLMJJ-LSDHHAIUSA-N 0 3 263.385 2.793 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)c1ccc(F)cc1 ZINC000902809342 621183921 /nfs/dbraw/zinc/18/39/21/621183921.db2.gz KYUWJVRYGJSYPT-XWCIJXRUSA-N 0 3 299.349 2.865 20 30 CFEDHN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902812479 621184682 /nfs/dbraw/zinc/18/46/82/621184682.db2.gz UDTDTTNJZRHNDU-PWSUYJOCSA-N 0 3 284.363 2.840 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902830867 621186330 /nfs/dbraw/zinc/18/63/30/621186330.db2.gz SGHULHOJJLYGJN-WMLDXEAASA-N 0 3 295.386 2.862 20 30 CFEDHN C[C@H](N[C@@H](C)[C@H](O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902875418 621195031 /nfs/dbraw/zinc/19/50/31/621195031.db2.gz NCHWFNMLUHFWFU-PRXAMGSTSA-N 0 3 299.349 2.865 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902898413 621197386 /nfs/dbraw/zinc/19/73/86/621197386.db2.gz ZQIBBWCTCJGMAL-BAESOJJISA-N 0 3 273.380 2.663 20 30 CFEDHN CC(C)[C@H](O)C(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902887029 621199410 /nfs/dbraw/zinc/19/94/10/621199410.db2.gz DMBFYGSEQIVJOK-DOMZBBRYSA-N 0 3 275.396 2.647 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)N2CCC[C@@H](C#N)C2)c1 ZINC000902917266 621202557 /nfs/dbraw/zinc/20/25/57/621202557.db2.gz QGSSETIXNOSKRO-AWEZNQCLSA-N 0 3 286.379 2.516 20 30 CFEDHN CCOC[C@H](N[C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902969921 621215872 /nfs/dbraw/zinc/21/58/72/621215872.db2.gz ISFUQXPPAXMQDV-WFASDCNBSA-N 0 3 261.369 2.665 20 30 CFEDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)c1cc(C#N)ccn1 ZINC000902981762 621217168 /nfs/dbraw/zinc/21/71/68/621217168.db2.gz DCQLMXQXVUGJSQ-XJKSGUPXSA-N 0 3 293.370 2.998 20 30 CFEDHN C=CCCCCCCCN[C@@H](C)c1cn(C)nn1 ZINC000902992229 621219215 /nfs/dbraw/zinc/21/92/15/621219215.db2.gz HZFHPQKTPCUJFD-ZDUSSCGKSA-N 0 3 250.390 2.992 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@](C)(O)c1ccccc1 ZINC000903037804 621231435 /nfs/dbraw/zinc/23/14/35/621231435.db2.gz BWNSOLFQXYMSJM-IYOUNJFTSA-N 0 3 295.386 2.900 20 30 CFEDHN CC[C@@H](COCC1CC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903047012 621240520 /nfs/dbraw/zinc/24/05/20/621240520.db2.gz FFWWTGOTVWDMPQ-WFASDCNBSA-N 0 3 273.380 2.809 20 30 CFEDHN C[C@H](NCC[C@@H](O)C1CCCC1)c1cc(C#N)ccn1 ZINC000903084891 621246873 /nfs/dbraw/zinc/24/68/73/621246873.db2.gz LUSKNZWYPGHLJN-BLLLJJGKSA-N 0 3 273.380 2.545 20 30 CFEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCCC2)cn1 ZINC000903109803 621256710 /nfs/dbraw/zinc/25/67/10/621256710.db2.gz VSWMTNSINLWZCP-ZDUSSCGKSA-N 0 3 273.380 2.695 20 30 CFEDHN COC(=O)[C@@H]1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000903128601 621262780 /nfs/dbraw/zinc/26/27/80/621262780.db2.gz DCFJKCZKLOCPDC-RTXFEEFZSA-N 0 3 290.338 2.690 20 30 CFEDHN COC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000903128602 621262905 /nfs/dbraw/zinc/26/29/05/621262905.db2.gz DCFJKCZKLOCPDC-UHTWSYAYSA-N 0 3 290.338 2.690 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cc(C#N)ccn1 ZINC000903176969 621275318 /nfs/dbraw/zinc/27/53/18/621275318.db2.gz WPBCEWOOLOLZNJ-NDMJEZRESA-N 0 3 299.296 2.714 20 30 CFEDHN C[C@H](NC[C@](C)(O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000903309595 621326556 /nfs/dbraw/zinc/32/65/56/621326556.db2.gz VWGJOELIEGMDFG-SJCJKPOMSA-N 0 3 299.349 2.651 20 30 CFEDHN C[C@H](NCc1ccc(CCO)cc1)c1ccc(C#N)cc1 ZINC000903395072 621353217 /nfs/dbraw/zinc/35/32/17/621353217.db2.gz AGZOVMODASDOEM-AWEZNQCLSA-N 0 3 280.371 2.944 20 30 CFEDHN C[C@H](NCc1ccc(CCO)cc1)c1cccc(C#N)c1 ZINC000903402318 621369303 /nfs/dbraw/zinc/36/93/03/621369303.db2.gz BSVWKWHMWCOUIF-AWEZNQCLSA-N 0 3 280.371 2.944 20 30 CFEDHN CCN(C(=O)[C@@H]1CCCN1C(C)C)c1ccc(C#N)cc1 ZINC000903636767 621412616 /nfs/dbraw/zinc/41/26/16/621412616.db2.gz AVCCUJKSHMEYNJ-INIZCTEOSA-N 0 3 285.391 2.784 20 30 CFEDHN CCCCN([O-])C(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000904210623 621544985 /nfs/dbraw/zinc/54/49/85/621544985.db2.gz UWTLOCZARHCGKB-UHFFFAOYSA-N 0 3 291.395 2.624 20 30 CFEDHN CC(C)Oc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080466 621690677 /nfs/dbraw/zinc/69/06/77/621690677.db2.gz LARLGAGKMMLJFT-ZEVOCZHWSA-N 0 3 283.331 2.906 20 30 CFEDHN Cc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905082929 621691599 /nfs/dbraw/zinc/69/15/99/621691599.db2.gz YOQIBBIWRJXAMG-NUBYWOLOSA-N 0 3 253.305 2.736 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1F ZINC000905084684 621692309 /nfs/dbraw/zinc/69/23/09/621692309.db2.gz KIBOGZFUYNWDBO-VKRGWIQLSA-N 0 3 287.294 2.657 20 30 CFEDHN CC1/C(=C/c2cn(C)nc2C2CCCC2)C(=O)c2ncnn21 ZINC000905086975 621692810 /nfs/dbraw/zinc/69/28/10/621692810.db2.gz UYCFZWQFKHGXRZ-BNDQCTAISA-N 0 3 297.362 2.510 20 30 CFEDHN CC1/C(=C\c2ccc3c(c2)CCCC3)C(=O)c2ncnn21 ZINC000905087788 621693576 /nfs/dbraw/zinc/69/35/76/621693576.db2.gz ZOXGFSJVBWRYBN-BTAWCLGRSA-N 0 3 279.343 2.998 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1cscc1Cl ZINC000905458876 621777655 /nfs/dbraw/zinc/77/76/55/621777655.db2.gz YPAIBVRBQJRLCJ-JTQLQIEISA-N 0 3 272.801 2.792 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@H]1CCCC1(F)F ZINC000905779874 621846509 /nfs/dbraw/zinc/84/65/09/621846509.db2.gz DUQRNFLPDOYSAN-NWDGAFQWSA-N 0 3 255.312 2.845 20 30 CFEDHN C[C@]1(CNC[C@@H](C#N)CCC#N)CCOC2(CCC2)C1 ZINC000905842664 621874212 /nfs/dbraw/zinc/87/42/12/621874212.db2.gz CSYCVGTUJXIDJE-CABCVRRESA-N 0 3 275.396 2.759 20 30 CFEDHN CC(C)(C)[C@@H](N)c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905815137 621874865 /nfs/dbraw/zinc/87/48/65/621874865.db2.gz GHXRVDRYFRRRQG-YIZWMMSDSA-N 0 3 275.400 2.654 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000906592398 622009970 /nfs/dbraw/zinc/00/99/70/622009970.db2.gz NHOKWBPSJSIUHZ-UHFFFAOYSA-N 0 3 297.402 2.555 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001015869575 625549724 /nfs/dbraw/zinc/54/97/24/625549724.db2.gz XMWRCJGYPDIYRI-UONOGXRCSA-N 0 3 290.382 2.696 20 30 CFEDHN CN1CCN(C(=O)c2cccc(C#N)c2)CC12CCCCC2 ZINC000908576351 622247950 /nfs/dbraw/zinc/24/79/50/622247950.db2.gz IPGGCKDFNHBXBY-UHFFFAOYSA-N 0 3 297.402 2.649 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910275022 622423222 /nfs/dbraw/zinc/42/32/22/622423222.db2.gz RXJQOEIGTPLIRO-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CC[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000911515794 622525583 /nfs/dbraw/zinc/52/55/83/622525583.db2.gz VXHOEBVDKJQMTG-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OCC)cc1 ZINC000911907332 622581220 /nfs/dbraw/zinc/58/12/20/622581220.db2.gz XSWVDAWXCABBTQ-CQSZACIVSA-N 0 3 262.353 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1cccc(Cl)c1 ZINC000911930564 622591154 /nfs/dbraw/zinc/59/11/54/622591154.db2.gz HLNUYMGCPSHYDF-ZDUSSCGKSA-N 0 3 266.772 2.640 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000911936563 622592074 /nfs/dbraw/zinc/59/20/74/622592074.db2.gz DGUCRNPFOHSRHO-HOTGVXAUSA-N 0 3 272.392 2.864 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000912222128 622664831 /nfs/dbraw/zinc/66/48/31/622664831.db2.gz VWPVWCBHQAEDKO-MRXNPFEDSA-N 0 3 272.392 2.861 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC1CCC(CC)CC1 ZINC000912338363 622695881 /nfs/dbraw/zinc/69/58/81/622695881.db2.gz NKCORVGKDIRDND-RUXDESIVSA-N 0 3 252.402 2.755 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000912254064 622673753 /nfs/dbraw/zinc/67/37/53/622673753.db2.gz QFCKJNDMRWWYLX-DOMZBBRYSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(OCC)c1 ZINC000912274650 622679073 /nfs/dbraw/zinc/67/90/73/622679073.db2.gz ZBBJKJYKOVTNEJ-CQSZACIVSA-N 0 3 262.353 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC)c1ccc(OC)cc1 ZINC000912277502 622679634 /nfs/dbraw/zinc/67/96/34/622679634.db2.gz UAOQGEGYUVLHJJ-HNNXBMFYSA-N 0 3 276.380 2.732 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCN1C(C)C ZINC000820501534 622690054 /nfs/dbraw/zinc/69/00/54/622690054.db2.gz RPJHDMAHTCNCJU-CYBMUJFWSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000912400871 622705516 /nfs/dbraw/zinc/70/55/16/622705516.db2.gz FOOOWJWFJNKXEG-MRXNPFEDSA-N 0 3 298.390 2.554 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@H](N2CCC2)C1)c1ccccc1 ZINC000912913337 622794961 /nfs/dbraw/zinc/79/49/61/622794961.db2.gz JESSTWBZZHSUHD-NVXWUHKLSA-N 0 3 284.403 2.653 20 30 CFEDHN C#CC[C@H](NC(=O)CN(C)CC(C)(C)C)c1ccccc1 ZINC000821340460 622898421 /nfs/dbraw/zinc/89/84/21/622898421.db2.gz YOLQCQIEMBZVIQ-INIZCTEOSA-N 0 3 286.419 2.845 20 30 CFEDHN CCCCCCC[C@H](C)CNCc1ncnn1C ZINC000876957569 622999225 /nfs/dbraw/zinc/99/92/25/622999225.db2.gz CLKMKJSHMZXFDD-ZDUSSCGKSA-N 0 3 252.406 2.901 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000224736075 623011371 /nfs/dbraw/zinc/01/13/71/623011371.db2.gz OZLPGZDNNYZFEZ-CABCVRRESA-N 0 3 276.355 2.991 20 30 CFEDHN CCCCCCN(C)CC(=O)NCC(C)(C)CC#N ZINC000837889603 631148184 /nfs/dbraw/zinc/14/81/84/631148184.db2.gz VVSWSECJYFAAPQ-UHFFFAOYSA-N 0 3 267.417 2.555 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000823617818 623363448 /nfs/dbraw/zinc/36/34/48/623363448.db2.gz NJYLNLKEJQWCMO-WFASDCNBSA-N 0 3 284.359 2.647 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173959682 623377059 /nfs/dbraw/zinc/37/70/59/623377059.db2.gz NFGGEXDCQNEPLF-SMDDNHRTSA-N 0 3 288.347 2.779 20 30 CFEDHN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000173936528 623378033 /nfs/dbraw/zinc/37/80/33/623378033.db2.gz WSQLGKQRNGMAPG-KBPBESRZSA-N 0 3 278.396 2.924 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CCCC2)C1 ZINC000174268918 623404032 /nfs/dbraw/zinc/40/40/32/623404032.db2.gz QOGNHCHYTKVAHC-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000823894413 623415625 /nfs/dbraw/zinc/41/56/25/623415625.db2.gz PNIPPYVNWQSSLQ-JTQLQIEISA-N 0 3 277.397 2.763 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000823894413 623415628 /nfs/dbraw/zinc/41/56/28/623415628.db2.gz PNIPPYVNWQSSLQ-JTQLQIEISA-N 0 3 277.397 2.763 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000232554268 623425438 /nfs/dbraw/zinc/42/54/38/623425438.db2.gz OASRQKGZOCFFQR-WBVHZDCISA-N 0 3 273.376 2.909 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992158673 623473827 /nfs/dbraw/zinc/47/38/27/623473827.db2.gz DTLPEKOZGQDNAS-IIDMSEBBSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)CCCCO ZINC000824655600 623539678 /nfs/dbraw/zinc/53/96/78/623539678.db2.gz XYUTYENSINEIMW-CYBMUJFWSA-N 0 3 295.810 2.993 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000824840543 623575084 /nfs/dbraw/zinc/57/50/84/623575084.db2.gz BKEPUGZZSTXAHN-MRXNPFEDSA-N 0 3 299.418 2.782 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824861093 623580143 /nfs/dbraw/zinc/58/01/43/623580143.db2.gz HOMKTVOIIRPXMC-YPMHNXCESA-N 0 3 282.727 2.681 20 30 CFEDHN C#CCN(C(=O)N[C@@H](C)CCCCC)C1CCN(C)CC1 ZINC000913846524 623616474 /nfs/dbraw/zinc/61/64/74/623616474.db2.gz AQPCZKBTBBVBGK-HNNXBMFYSA-N 0 3 293.455 2.694 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990202 623831928 /nfs/dbraw/zinc/83/19/28/623831928.db2.gz YZTNAUNHBNTTDK-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccs2)[C@H]1C ZINC000993011723 623843291 /nfs/dbraw/zinc/84/32/91/623843291.db2.gz GTBQSHAYWULMMY-CHWSQXEVSA-N 0 3 278.421 2.907 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993051472 623872770 /nfs/dbraw/zinc/87/27/70/623872770.db2.gz SEKYDBISHBSOSU-XJKSGUPXSA-N 0 3 288.391 2.502 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993116799 623922779 /nfs/dbraw/zinc/92/27/79/623922779.db2.gz FOKIWXXWPHSCNQ-RDJZCZTQSA-N 0 3 290.451 2.949 20 30 CFEDHN C=CCC1([NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000827145975 623952969 /nfs/dbraw/zinc/95/29/69/623952969.db2.gz ADLUXTPOECIMKO-UHFFFAOYSA-N 0 3 265.328 2.746 20 30 CFEDHN C#Cc1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000827383562 623996562 /nfs/dbraw/zinc/99/65/62/623996562.db2.gz GCRZEXOCABXDQX-QGZVFWFLSA-N 0 3 292.386 2.534 20 30 CFEDHN C#C[C@H](NCc1coc2ccccc12)C1CCOCC1 ZINC000827565105 624033732 /nfs/dbraw/zinc/03/37/32/624033732.db2.gz JCYGSJKAQHITIN-INIZCTEOSA-N 0 3 269.344 2.951 20 30 CFEDHN C#C[C@H](NCc1cnc2ccccc2c1)C1CCOCC1 ZINC000827570268 624034939 /nfs/dbraw/zinc/03/49/39/624034939.db2.gz KKNFCYQYNZEFNX-KRWDZBQOSA-N 0 3 280.371 2.753 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC000993224320 624053308 /nfs/dbraw/zinc/05/33/08/624053308.db2.gz DPJPJOIYFGZYDL-HIFRSBDPSA-N 0 3 262.397 2.642 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000993260423 624060062 /nfs/dbraw/zinc/06/00/62/624060062.db2.gz QSZQLXJNLTVXRT-BBRMVZONSA-N 0 3 289.423 2.736 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993321465 624094836 /nfs/dbraw/zinc/09/48/36/624094836.db2.gz CRHUIVMZEONDSW-IUODEOHRSA-N 0 3 290.432 2.663 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(CC)s1 ZINC000827823804 624103840 /nfs/dbraw/zinc/10/38/40/624103840.db2.gz UNMWASYKYGDYJS-UHFFFAOYSA-N 0 3 251.395 2.782 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993381089 624128718 /nfs/dbraw/zinc/12/87/18/624128718.db2.gz NCYJRSCPKHNIJD-DOTOQJQBSA-N 0 3 286.419 2.830 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000993487510 624149370 /nfs/dbraw/zinc/14/93/70/624149370.db2.gz NZWBITNGHGCSSK-CABCVRRESA-N 0 3 289.423 2.790 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993630424 624156290 /nfs/dbraw/zinc/15/62/90/624156290.db2.gz HFRMEVATJQAGLF-HOCLYGCPSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC000993738466 624163630 /nfs/dbraw/zinc/16/36/30/624163630.db2.gz CYIKOXQLVJBILS-CVEARBPZSA-N 0 3 290.451 2.949 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994196273 624181828 /nfs/dbraw/zinc/18/18/28/624181828.db2.gz YOPSDVQBPLERLP-CZUORRHYSA-N 0 3 290.451 2.968 20 30 CFEDHN C(/C=C/c1ccccc1)=NNCCN1CCCCC1 ZINC000915973276 624198789 /nfs/dbraw/zinc/19/87/89/624198789.db2.gz DYAIXVVCUNALCX-UHYLOLGCSA-N 0 3 257.381 2.761 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000915983204 624201460 /nfs/dbraw/zinc/20/14/60/624201460.db2.gz TUDUKNRAVRLPGP-RYGYZRHUSA-N 0 3 290.407 2.961 20 30 CFEDHN CC(C)C#CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000829245449 624407593 /nfs/dbraw/zinc/40/75/93/624407593.db2.gz MAJJTVSKGJUXMJ-KRWDZBQOSA-N 0 3 298.430 2.769 20 30 CFEDHN CCC#C[C@H](C)N(C)C[C@@]1(O)CCc2ccccc21 ZINC000829365505 624425231 /nfs/dbraw/zinc/42/52/31/624425231.db2.gz HESOATPQPLEKAQ-YOEHRIQHSA-N 0 3 257.377 2.554 20 30 CFEDHN CC1(C)CCCN1CCNc1snc(Cl)c1C#N ZINC000829572358 624457434 /nfs/dbraw/zinc/45/74/34/624457434.db2.gz IPHAMQNCRYEZSP-UHFFFAOYSA-N 0 3 284.816 2.954 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000829768547 624527659 /nfs/dbraw/zinc/52/76/59/624527659.db2.gz FWFFRTWZDIVJTI-HRCADAONSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000829773333 624529120 /nfs/dbraw/zinc/52/91/20/624529120.db2.gz DDZBIGQLEVPQSM-CVEARBPZSA-N 0 3 284.403 2.773 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000829773321 624529614 /nfs/dbraw/zinc/52/96/14/624529614.db2.gz CWPSRUHHKFEDNL-HZPDHXFCSA-N 0 3 296.414 2.700 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000829810028 624549867 /nfs/dbraw/zinc/54/98/67/624549867.db2.gz KOMMYVXMRRSIFK-ZDUSSCGKSA-N 0 3 288.347 2.839 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000829811089 624550410 /nfs/dbraw/zinc/55/04/10/624550410.db2.gz XXWQMTAYZXXWOJ-RHSMWYFYSA-N 0 3 282.387 2.675 20 30 CFEDHN C#CC1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000830326191 624708695 /nfs/dbraw/zinc/70/86/95/624708695.db2.gz FRPFWGKIKQHYHQ-OAHLLOKOSA-N 0 3 263.768 2.719 20 30 CFEDHN CC(=Nn1cnnc1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000920359260 624714677 /nfs/dbraw/zinc/71/46/77/624714677.db2.gz JHJCBFYIXRVDGB-VXGBXAGGSA-N 0 3 260.728 2.959 20 30 CFEDHN C#CC1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000830350683 624718522 /nfs/dbraw/zinc/71/85/22/624718522.db2.gz GHEUKFGAKGVYHC-HNNXBMFYSA-N 0 3 263.768 2.719 20 30 CFEDHN C#CCOc1ccccc1CN(C)C[C@@H]1CCCC[C@@H]1O ZINC000181094304 625064894 /nfs/dbraw/zinc/06/48/94/625064894.db2.gz WMXIZCLSXOBZOZ-RDJZCZTQSA-N 0 3 287.403 2.682 20 30 CFEDHN COC(=O)C1(C#N)CCN(CCC2=CCCCC2)CC1 ZINC000831698985 625099831 /nfs/dbraw/zinc/09/98/31/625099831.db2.gz FLXOCIDMBRVIJS-UHFFFAOYSA-N 0 3 276.380 2.656 20 30 CFEDHN CCCCC[C@@H](NCC(=O)NCC#N)c1ccccc1 ZINC000181748647 625212304 /nfs/dbraw/zinc/21/23/04/625212304.db2.gz OJHXNBXAJCMVSB-OAHLLOKOSA-N 0 3 273.380 2.537 20 30 CFEDHN N#Cc1ccc(OCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834668894 625772951 /nfs/dbraw/zinc/77/29/51/625772951.db2.gz PNLRABDOOPZYLM-MRXNPFEDSA-N 0 3 294.354 2.920 20 30 CFEDHN CC(C)[C@@H](Cn1cccn1)NCc1cc(C#N)ccc1F ZINC000834673328 625776094 /nfs/dbraw/zinc/77/60/94/625776094.db2.gz PCRFPCITWBZKJP-MRXNPFEDSA-N 0 3 286.354 2.708 20 30 CFEDHN Cc1nnc(C)n1N=C/C=C/c1ccc(N(C)C)cc1 ZINC000834930236 625925889 /nfs/dbraw/zinc/92/58/89/625925889.db2.gz BDECTDYNJDXLMN-IQYABZLSSA-N 0 3 269.352 2.508 20 30 CFEDHN CCC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1ccsc1 ZINC000834966770 625936406 /nfs/dbraw/zinc/93/64/06/625936406.db2.gz SLHZBRHYIRNDKJ-BETUJISGSA-N 0 3 276.409 2.722 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)OCCN1CCCCC1 ZINC000770417150 625939413 /nfs/dbraw/zinc/93/94/13/625939413.db2.gz GLXKCBSRNNLWOA-OAHLLOKOSA-N 0 3 298.427 2.987 20 30 CFEDHN C#CCNN=C(C)c1ccc(N2CCCCC2)cc1 ZINC000835007669 625954391 /nfs/dbraw/zinc/95/43/91/625954391.db2.gz VAORGFDMXZAXQZ-UHFFFAOYSA-N 0 3 255.365 2.624 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2c(C)cccc2C)CC1 ZINC000997317423 625987554 /nfs/dbraw/zinc/98/75/54/625987554.db2.gz ZWHCENJYWASSEI-MRXNPFEDSA-N 0 3 298.430 2.767 20 30 CFEDHN Cc1nn(C)c(C)c1CNCc1c(C)cc(C#N)cc1C ZINC000921641672 626007225 /nfs/dbraw/zinc/00/72/25/626007225.db2.gz IZWPVANLRAXMKN-UHFFFAOYSA-N 0 3 282.391 2.815 20 30 CFEDHN C=C1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000888375449 626024514 /nfs/dbraw/zinc/02/45/14/626024514.db2.gz XWAMZOWPZWIGKT-UHFFFAOYSA-N 0 3 286.419 2.981 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000998091884 626030858 /nfs/dbraw/zinc/03/08/58/626030858.db2.gz GNWSFTDRSCBFHP-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cc(C)co2)CC1 ZINC000998105350 626031840 /nfs/dbraw/zinc/03/18/40/626031840.db2.gz YOPKABRSWXBAQT-HNNXBMFYSA-N 0 3 288.391 2.538 20 30 CFEDHN C=CCN[C@H]1CN(C(=O)C=C(C)C)CC[C@H]1C(F)(F)F ZINC000998227483 626036701 /nfs/dbraw/zinc/03/67/01/626036701.db2.gz SSXKXHSNTONMKX-NEPJUHHUSA-N 0 3 290.329 2.508 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)CC(C)C)CC[C@@H]1C(F)(F)F ZINC000998234971 626036955 /nfs/dbraw/zinc/03/69/55/626036955.db2.gz KFVBMFZWCYLAPV-NWDGAFQWSA-N 0 3 292.345 2.588 20 30 CFEDHN C=CCN[C@H]1CN(C(=O)CC(C)C)CC[C@H]1C(F)(F)F ZINC000998234967 626037351 /nfs/dbraw/zinc/03/73/51/626037351.db2.gz KFVBMFZWCYLAPV-NEPJUHHUSA-N 0 3 292.345 2.588 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)oc2C)C1 ZINC000998436741 626050494 /nfs/dbraw/zinc/05/04/94/626050494.db2.gz DALKOJHLXUVESQ-UHFFFAOYSA-N 0 3 296.798 2.842 20 30 CFEDHN CO[C@H](C)CCNCc1cc(C#N)ccc1Br ZINC000921656031 626050631 /nfs/dbraw/zinc/05/06/31/626050631.db2.gz QDKYZWSQAFZTTL-SNVBAGLBSA-N 0 3 297.196 2.835 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc[nH]c2CC)C1 ZINC000998721812 626059661 /nfs/dbraw/zinc/05/96/61/626059661.db2.gz MOOZRNWDGSPAKB-UHFFFAOYSA-N 0 3 295.814 2.522 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000999144047 626066670 /nfs/dbraw/zinc/06/66/70/626066670.db2.gz UMILFGXEUNLHCE-PPWQZUPISA-N 0 3 296.842 2.754 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001016137702 626068986 /nfs/dbraw/zinc/06/89/86/626068986.db2.gz NPIVPQJGHGNOIJ-OFLPRAFFSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2CC3(CC3)C2)C1 ZINC000999378511 626072620 /nfs/dbraw/zinc/07/26/20/626072620.db2.gz CFYVABRXVSGDMS-UHFFFAOYSA-N 0 3 282.815 2.508 20 30 CFEDHN Cc1nc(CNCCCCC#N)sc1Br ZINC000921683714 626073624 /nfs/dbraw/zinc/07/36/24/626073624.db2.gz NYRFTBWYHLECCW-UHFFFAOYSA-N 0 3 288.214 2.998 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CCCCCC2)CC1 ZINC001000507019 626123216 /nfs/dbraw/zinc/12/32/16/626123216.db2.gz ONPVEWUIBOCUKC-UHFFFAOYSA-N 0 3 276.424 2.891 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2c(C)oc(C)c2C)CC1 ZINC001000926543 626136143 /nfs/dbraw/zinc/13/61/43/626136143.db2.gz GXBYRFAIFCFTCU-UHFFFAOYSA-N 0 3 288.391 2.753 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001001101362 626143742 /nfs/dbraw/zinc/14/37/42/626143742.db2.gz TVKSFJMULLABFM-HOCLYGCPSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001001121253 626146587 /nfs/dbraw/zinc/14/65/87/626146587.db2.gz QPFGIPKLAGIOEA-OAHLLOKOSA-N 0 3 276.424 2.747 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2cc(C)cs2)CC1 ZINC001001385645 626157291 /nfs/dbraw/zinc/15/72/91/626157291.db2.gz DUGZXXAJOWPOKM-UHFFFAOYSA-N 0 3 290.432 2.522 20 30 CFEDHN C#CCN1CCC(CNC(=O)c2ccc(CCC)cc2)CC1 ZINC001001786526 626163783 /nfs/dbraw/zinc/16/37/83/626163783.db2.gz RUYBTWVKNLEDNK-UHFFFAOYSA-N 0 3 298.430 2.714 20 30 CFEDHN C#CCN1CCC(CNC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001002143173 626167562 /nfs/dbraw/zinc/16/75/62/626167562.db2.gz WGVLLCWOLCTAIO-UHFFFAOYSA-N 0 3 296.414 2.639 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001002161337 626167679 /nfs/dbraw/zinc/16/76/79/626167679.db2.gz ZAJFTNRMEPIJDE-UHFFFAOYSA-N 0 3 290.451 2.664 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CNC[C@](C)(O)C(F)(F)F ZINC000921939504 626181793 /nfs/dbraw/zinc/18/17/93/626181793.db2.gz RSFBAWWWZDSCGS-ZDUSSCGKSA-N 0 3 286.297 2.578 20 30 CFEDHN C[C@@H](C[C@H](O)c1ccco1)NCc1csc(C#N)c1 ZINC000921950943 626183996 /nfs/dbraw/zinc/18/39/96/626183996.db2.gz UPAMOTYWWWWMCS-GWCFXTLKSA-N 0 3 276.361 2.815 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2csc(C#N)c2)c1 ZINC000922039646 626200297 /nfs/dbraw/zinc/20/02/97/626200297.db2.gz ULPXSNGHBYIFGH-HNNXBMFYSA-N 0 3 286.400 2.621 20 30 CFEDHN C[C@@H](O)CCCNCc1cc(C#N)ccc1Br ZINC000922073473 626203763 /nfs/dbraw/zinc/20/37/63/626203763.db2.gz IIPNOWPOXAZGAV-SNVBAGLBSA-N 0 3 297.196 2.571 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1csc(C#N)c1)OC ZINC000922153328 626219211 /nfs/dbraw/zinc/21/92/11/626219211.db2.gz GLINZWQAJGFCHZ-MFKMUULPSA-N 0 3 252.383 2.770 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2CCC3(CCC3)O2)cs1 ZINC000922338537 626274896 /nfs/dbraw/zinc/27/48/96/626274896.db2.gz SZAWQYVZMSRJNP-LBPRGKRZSA-N 0 3 262.378 2.811 20 30 CFEDHN C=CCN1CCC(NC(=O)c2occ3c2CCCC3)CC1 ZINC001004042996 626279509 /nfs/dbraw/zinc/27/95/09/626279509.db2.gz WOFSAZXJNUDEAY-UHFFFAOYSA-N 0 3 288.391 2.539 20 30 CFEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1nc(C#N)cs1 ZINC000922604725 626323617 /nfs/dbraw/zinc/32/36/17/626323617.db2.gz XCCPAMVRPFGHOE-UHFFFAOYSA-N 0 3 296.399 2.997 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2=CCCCCC2)CC1 ZINC001005312679 626414199 /nfs/dbraw/zinc/41/41/99/626414199.db2.gz XZQDWLLNUMSUST-UHFFFAOYSA-N 0 3 276.424 2.986 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2coc(C)c2)CC1 ZINC001005314347 626414210 /nfs/dbraw/zinc/41/42/10/626414210.db2.gz MFRDXSXPRNZARY-UHFFFAOYSA-N 0 3 276.380 2.701 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1O ZINC000851737467 634501427 /nfs/dbraw/zinc/50/14/27/634501427.db2.gz DVBPJTIJQIVIGQ-HZPDHXFCSA-N 0 3 261.340 2.564 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC001005579007 626418021 /nfs/dbraw/zinc/41/80/21/626418021.db2.gz IRGIULUEQHHODO-HNNXBMFYSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001005699641 626419936 /nfs/dbraw/zinc/41/99/36/626419936.db2.gz OXIBMUGREXKGJS-HUUCEWRRSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001005755940 626421003 /nfs/dbraw/zinc/42/10/03/626421003.db2.gz JNVVDMDCRAPRCZ-PHZGNYQRSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001005908636 626448525 /nfs/dbraw/zinc/44/85/25/626448525.db2.gz XWUJIQDJOFYLMW-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001005950299 626453582 /nfs/dbraw/zinc/45/35/82/626453582.db2.gz SLHYUIKORMOMGT-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001005960113 626454457 /nfs/dbraw/zinc/45/44/57/626454457.db2.gz PQQWGWLSGRKJPO-CQSZACIVSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2ccsc2)CC1 ZINC001005983165 626456833 /nfs/dbraw/zinc/45/68/33/626456833.db2.gz USJMNXKQXWTLPY-ZDUSSCGKSA-N 0 3 292.448 2.960 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C(C2CC2)C2CC2)CC1 ZINC001006264323 626481547 /nfs/dbraw/zinc/48/15/47/626481547.db2.gz ATNIHUSHORCQKJ-UHFFFAOYSA-N 0 3 276.424 2.531 20 30 CFEDHN CC(C)(C)OC(=O)N1CC2(CC(NCC(C)(C)C#N)C2)C1 ZINC000839012595 626520335 /nfs/dbraw/zinc/52/03/35/626520335.db2.gz VKPAJYYQKBVQOK-UHFFFAOYSA-N 0 3 293.411 2.525 20 30 CFEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103330203 626531446 /nfs/dbraw/zinc/53/14/46/626531446.db2.gz KZVWKIZRQFXDSO-JKSUJKDBSA-N 0 3 298.386 2.804 20 30 CFEDHN C#CCC1(C(=O)NCCN2CCC(C)CC2)CCCCC1 ZINC000788161521 626538756 /nfs/dbraw/zinc/53/87/56/626538756.db2.gz SHDQMZHMPDLREO-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C#CC[C@H](NCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000756994993 626543243 /nfs/dbraw/zinc/54/32/43/626543243.db2.gz AYRLBZURBLSFEN-KRWDZBQOSA-N 0 3 278.355 2.640 20 30 CFEDHN C=C(Br)CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC000839639116 626550674 /nfs/dbraw/zinc/55/06/74/626550674.db2.gz LYQMTNDCQWIXJT-ONGXEEELSA-N 0 3 262.191 2.688 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757694977 626558594 /nfs/dbraw/zinc/55/85/94/626558594.db2.gz AXUFONSCFSXMBL-FOGDFJRCSA-N 0 3 265.328 2.606 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1snc(Cl)c1C#N ZINC000758454245 626594400 /nfs/dbraw/zinc/59/44/00/626594400.db2.gz WNEVYCBITBODJP-VIFPVBQESA-N 0 3 284.816 2.954 20 30 CFEDHN CCCCCCCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000760210714 626720126 /nfs/dbraw/zinc/72/01/26/626720126.db2.gz ZPMGNRHNQVYIEA-KBPBESRZSA-N 0 3 286.485 2.851 20 30 CFEDHN C#CCOCCN1CCC(c2ccccc2F)CC1 ZINC000851777478 634522387 /nfs/dbraw/zinc/52/23/87/634522387.db2.gz SSERSUUPBTUGHB-UHFFFAOYSA-N 0 3 261.340 2.655 20 30 CFEDHN CC1(C)CC(N=Nc2cccnn2)CN1Cc1ccccc1 ZINC000761266636 626819727 /nfs/dbraw/zinc/81/97/27/626819727.db2.gz JIDXOCMKAKRHHQ-UHFFFAOYSA-N 0 3 295.390 2.929 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccccc2Br)CN1C ZINC000761803664 626859842 /nfs/dbraw/zinc/85/98/42/626859842.db2.gz DXKJNGLQTDHCPX-SECBINFHSA-N 0 3 282.185 2.941 20 30 CFEDHN COc1ccc(C)cc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000763232126 626972041 /nfs/dbraw/zinc/97/20/41/626972041.db2.gz QVAJTSFLCPWJPP-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN CCCCCCCCN1CCN(C(C)=O)C[C@@H]1C ZINC000763414738 626987404 /nfs/dbraw/zinc/98/74/04/626987404.db2.gz BTFSFQJRTKANQG-AWEZNQCLSA-N 0 3 254.418 2.900 20 30 CFEDHN Cc1cc(CNCC[S@@](=O)C(C)(C)C)ccc1C#N ZINC000767688055 627275296 /nfs/dbraw/zinc/27/52/96/627275296.db2.gz AGWJSNVKDPFKFD-LJQANCHMSA-N 0 3 278.421 2.504 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(CCC)CC2)cc1 ZINC000768136795 627319694 /nfs/dbraw/zinc/31/96/94/627319694.db2.gz BQDWCFIJPDIGAY-UHFFFAOYSA-N 0 3 286.419 2.616 20 30 CFEDHN CC(C)N1CC(N=Nc2cc(C#N)cc(Cl)n2)[C@@H](C)C1 ZINC000768376727 627338886 /nfs/dbraw/zinc/33/88/86/627338886.db2.gz UZZDWUQPROQIBT-JTQLQIEISA-N 0 3 291.786 2.735 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)o1 ZINC000768980051 627392193 /nfs/dbraw/zinc/39/21/93/627392193.db2.gz FDOZJBPNSCDGMY-HUUCEWRRSA-N 0 3 293.370 2.719 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769285427 627419218 /nfs/dbraw/zinc/41/92/18/627419218.db2.gz ZBRJGJZHJGOANM-ZIAGYGMSSA-N 0 3 290.338 2.712 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000769414485 627436349 /nfs/dbraw/zinc/43/63/49/627436349.db2.gz UVZDELQTMYGPEN-OAHLLOKOSA-N 0 3 299.418 2.648 20 30 CFEDHN C#CCCOc1ccc(CN2CCCOC[C@@H]2C)cc1 ZINC000769456964 627441670 /nfs/dbraw/zinc/44/16/70/627441670.db2.gz MYHIOIKDPCGHDK-HNNXBMFYSA-N 0 3 273.376 2.700 20 30 CFEDHN CC(C)(C)[C@H](CO)NCc1cc(Cl)ccc1OCC#N ZINC000769807268 627476526 /nfs/dbraw/zinc/47/65/26/627476526.db2.gz SUVUOFBCWCIPFT-AWEZNQCLSA-N 0 3 296.798 2.739 20 30 CFEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000771581880 627616048 /nfs/dbraw/zinc/61/60/48/627616048.db2.gz GLWWMQNKLMZWII-XCODYQFDSA-N 0 3 294.763 2.864 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000771935084 627650869 /nfs/dbraw/zinc/65/08/69/627650869.db2.gz KRNBJHNIIYDFKS-RHSMWYFYSA-N 0 3 288.391 2.978 20 30 CFEDHN C=CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772322406 627701683 /nfs/dbraw/zinc/70/16/83/627701683.db2.gz FSFJZNSDTMXSJL-STQMWFEESA-N 0 3 268.401 2.892 20 30 CFEDHN C=CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772322404 627702177 /nfs/dbraw/zinc/70/21/77/627702177.db2.gz FSFJZNSDTMXSJL-QWHCGFSZSA-N 0 3 268.401 2.892 20 30 CFEDHN Cc1ncc(CCNCc2ccc(C#N)cc2F)s1 ZINC000772933460 627759841 /nfs/dbraw/zinc/75/98/41/627759841.db2.gz FCSLAIQRSMPUEP-UHFFFAOYSA-N 0 3 275.352 2.795 20 30 CFEDHN C#CCSCCN[C@@H]1CCc2c1c(F)ccc2F ZINC000773010426 627768628 /nfs/dbraw/zinc/76/86/28/627768628.db2.gz KCBWNJWDEMDGMT-CYBMUJFWSA-N 0 3 267.344 2.908 20 30 CFEDHN CC(C)c1nccnc1N=NC1CN(C(C)C)C[C@@H]1C ZINC000773092946 627782578 /nfs/dbraw/zinc/78/25/78/627782578.db2.gz HNMTWYCGPADHIL-LBPRGKRZSA-N 0 3 275.400 2.728 20 30 CFEDHN C=C(CC)CN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000773428445 627818129 /nfs/dbraw/zinc/81/81/29/627818129.db2.gz PMMQICWDGZABAD-UHFFFAOYSA-N 0 3 268.401 2.895 20 30 CFEDHN C#CCCN1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000773952686 627872923 /nfs/dbraw/zinc/87/29/23/627872923.db2.gz BBFWMNPWSKZERS-HNNXBMFYSA-N 0 3 279.387 2.769 20 30 CFEDHN C#CCOCCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000851978782 634615279 /nfs/dbraw/zinc/61/52/79/634615279.db2.gz PPJPVUSWACAXEL-LLVKDONJSA-N 0 3 263.303 2.547 20 30 CFEDHN C#CCOCCN1CCC(F)(c2ccccc2)CC1 ZINC000851992620 634619249 /nfs/dbraw/zinc/61/92/49/634619249.db2.gz BGWUQYVLTDEURP-UHFFFAOYSA-N 0 3 261.340 2.597 20 30 CFEDHN CCC(CC)[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775127259 627995675 /nfs/dbraw/zinc/99/56/75/627995675.db2.gz CIJODSNDIARUBY-QGZVFWFLSA-N 0 3 287.407 2.783 20 30 CFEDHN C#C[C@@H](NCc1cc(C)nc2ccccc12)[C@@H]1CCCO1 ZINC000775783786 628067369 /nfs/dbraw/zinc/06/73/69/628067369.db2.gz DKFNDVNWNABSPK-AEFFLSMTSA-N 0 3 280.371 2.814 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000775985116 628091714 /nfs/dbraw/zinc/09/17/14/628091714.db2.gz JUFVOULOTUSWKF-HZPDHXFCSA-N 0 3 286.419 2.613 20 30 CFEDHN C[C@@H](NCc1ccccc1CO)c1ccc(OCC#N)cc1 ZINC000776160022 628109236 /nfs/dbraw/zinc/10/92/36/628109236.db2.gz ZFMCTHGSLKGXPG-CQSZACIVSA-N 0 3 296.370 2.932 20 30 CFEDHN COc1cc(F)cc([N-][NH+]=Cc2cnccc2N(C)C)c1 ZINC000776187123 628113831 /nfs/dbraw/zinc/11/38/31/628113831.db2.gz AKRHGJXSBJUYFT-UHFFFAOYSA-N 0 3 288.326 2.741 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776610715 628165315 /nfs/dbraw/zinc/16/53/15/628165315.db2.gz VWYMEDLBSVTLTP-ZIAGYGMSSA-N 0 3 280.412 2.730 20 30 CFEDHN C[C@@H](NCCOC1CCC1)c1ccc(C#N)c(F)c1 ZINC000777120490 628202045 /nfs/dbraw/zinc/20/20/45/628202045.db2.gz IXRLTOGBAXMTAM-LLVKDONJSA-N 0 3 262.328 2.917 20 30 CFEDHN Cc1nc(C#N)c(N=NC(C)CN2CCCCCC2)o1 ZINC000777433148 628224595 /nfs/dbraw/zinc/22/45/95/628224595.db2.gz WCRHCKGZLAFVGN-UHFFFAOYSA-N 0 3 275.356 2.519 20 30 CFEDHN CC(C)N1CC(=NOCCC(F)(F)F)[C@@H](C)C1 ZINC000777462734 628228288 /nfs/dbraw/zinc/22/82/88/628228288.db2.gz JXLGHLKVWDUAPF-VIFPVBQESA-N 0 3 252.280 2.672 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737268 628250403 /nfs/dbraw/zinc/25/04/03/628250403.db2.gz VSOSGQZCMHDBAB-CZUORRHYSA-N 0 3 261.340 2.521 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@@H](CC)CCO ZINC000778168801 628283004 /nfs/dbraw/zinc/28/30/04/628283004.db2.gz JJJDRNZUCXCYID-LBPRGKRZSA-N 0 3 281.783 2.603 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC[C@H]1O ZINC000778173878 628283570 /nfs/dbraw/zinc/28/35/70/628283570.db2.gz ZPZOALAQHUATJK-SWLSCSKDSA-N 0 3 293.794 2.603 20 30 CFEDHN C#CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000779084013 628350992 /nfs/dbraw/zinc/35/09/92/628350992.db2.gz CXXSYJRGGBAJMI-UHFFFAOYSA-N 0 3 285.318 2.833 20 30 CFEDHN C=C(Cl)CN[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000779106024 628353285 /nfs/dbraw/zinc/35/32/85/628353285.db2.gz KORPBHSYHIXEHC-ZYHUDNBSSA-N 0 3 288.819 2.974 20 30 CFEDHN C#CCCCCCC(=O)NCCN(C)Cc1ccccc1 ZINC000779859478 628414971 /nfs/dbraw/zinc/41/49/71/628414971.db2.gz MCCLZSPEDYKJES-UHFFFAOYSA-N 0 3 286.419 2.818 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1ccccc1)C1CC1 ZINC000852100663 634655164 /nfs/dbraw/zinc/65/51/64/634655164.db2.gz ZDNRKQGMBXDSFK-SFHVURJKSA-N 0 3 284.403 2.569 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(C)C)c1 ZINC000780287599 628451250 /nfs/dbraw/zinc/45/12/50/628451250.db2.gz MZAKWFLGOKXTGT-ZDUSSCGKSA-N 0 3 258.365 2.583 20 30 CFEDHN C#C[C@@](C)(CC)NCc1ccc(OCC(F)(F)F)nc1 ZINC000852102807 634657545 /nfs/dbraw/zinc/65/75/45/634657545.db2.gz QITDIDBCJYBJJL-ZDUSSCGKSA-N 0 3 286.297 2.914 20 30 CFEDHN C[C@@H](N[C@@H](C)Cc1cnccn1)c1ccc(C#N)cc1F ZINC000781420375 628547103 /nfs/dbraw/zinc/54/71/03/628547103.db2.gz JSVZXFFEIPXWBF-NWDGAFQWSA-N 0 3 284.338 2.769 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCCS1 ZINC000783348990 628700415 /nfs/dbraw/zinc/70/04/15/628700415.db2.gz BFCNHDVAKWMMTN-OLZOCXBDSA-N 0 3 288.372 2.620 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CC1CC1)c1ccccc1 ZINC000783533378 628718278 /nfs/dbraw/zinc/71/82/78/628718278.db2.gz ZCWFLHBWJFAHMJ-INIZCTEOSA-N 0 3 293.432 2.718 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1COC(C)(C)O1 ZINC000852193024 634685231 /nfs/dbraw/zinc/68/52/31/634685231.db2.gz WPZSROOFAMRFFS-DOMZBBRYSA-N 0 3 274.364 2.703 20 30 CFEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000784488475 628821179 /nfs/dbraw/zinc/82/11/79/628821179.db2.gz KBEYPTYSGPZHPK-JOYOIKCWSA-N 0 3 259.284 2.733 20 30 CFEDHN COc1cc(Br)cc(C[NH2+]CCCC#N)c1[O-] ZINC000784620883 628832160 /nfs/dbraw/zinc/83/21/60/628832160.db2.gz CCWOXWAGYUOWRI-UHFFFAOYSA-N 0 3 299.168 2.557 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cnccc2C)nc(C)n1 ZINC000784834989 628844309 /nfs/dbraw/zinc/84/43/09/628844309.db2.gz WXJXRSAPBNGKCA-RGDDUWESSA-N 0 3 292.342 2.687 20 30 CFEDHN Cc1nc(F)ccc1CNCCOc1ccc(C#N)cc1 ZINC000785477246 628886913 /nfs/dbraw/zinc/88/69/13/628886913.db2.gz OEFUZBBOIDQCRW-UHFFFAOYSA-N 0 3 285.322 2.569 20 30 CFEDHN CC[C@@H](C#N)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000785721979 628907477 /nfs/dbraw/zinc/90/74/77/628907477.db2.gz FMHCDOXFHHIFJB-HNNXBMFYSA-N 0 3 272.348 2.741 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCC1 ZINC000787065300 628990837 /nfs/dbraw/zinc/99/08/37/628990837.db2.gz FZBORLWFSMRFAD-HNNXBMFYSA-N 0 3 284.359 2.544 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000787997616 629047445 /nfs/dbraw/zinc/04/74/45/629047445.db2.gz MSEIXDNDOLUSNH-CYBMUJFWSA-N 0 3 295.810 2.732 20 30 CFEDHN C#CCC1(C(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCCC1 ZINC000788510562 629077037 /nfs/dbraw/zinc/07/70/37/629077037.db2.gz GHVKETGPSDAUKG-INIZCTEOSA-N 0 3 288.435 2.655 20 30 CFEDHN C#C[C@H](CC)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805918274 629221212 /nfs/dbraw/zinc/22/12/12/629221212.db2.gz NMMACILSJSZLDP-QGZVFWFLSA-N 0 3 285.387 2.854 20 30 CFEDHN Cn1ccnc1N=NCc1ccc(OC(F)(F)F)cc1 ZINC000790305829 629229242 /nfs/dbraw/zinc/22/92/42/629229242.db2.gz OTJYNHWZNGNVKD-UHFFFAOYSA-N 0 3 284.241 2.765 20 30 CFEDHN Cc1ccccc1[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000852319460 634719850 /nfs/dbraw/zinc/71/98/50/634719850.db2.gz NGKKXIDQSVNQSE-ZBFHGGJFSA-N 0 3 258.365 2.654 20 30 CFEDHN C=CCN(Cc1ccc(N(C)CCOC)nc1)C(C)C ZINC000792162840 629404125 /nfs/dbraw/zinc/40/41/25/629404125.db2.gz QFHSMAWOHXODLU-UHFFFAOYSA-N 0 3 277.412 2.561 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC000792378543 629423399 /nfs/dbraw/zinc/42/33/99/629423399.db2.gz QUBDLXBNRFAWLZ-QGZVFWFLSA-N 0 3 285.391 2.625 20 30 CFEDHN C#CCNC(=O)CN(CC(C)C)[C@@H](C)c1ccccc1C ZINC000792929433 629467576 /nfs/dbraw/zinc/46/75/76/629467576.db2.gz YFHNFNNPYNIRLE-INIZCTEOSA-N 0 3 286.419 2.763 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSC3CC3)nc21 ZINC000835174891 629489082 /nfs/dbraw/zinc/48/90/82/629489082.db2.gz WSYSTEXFEBURDL-LLVKDONJSA-N 0 3 285.372 2.943 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CSC3CC3)[nH]c21 ZINC000835174891 629489089 /nfs/dbraw/zinc/48/90/89/629489089.db2.gz WSYSTEXFEBURDL-LLVKDONJSA-N 0 3 285.372 2.943 20 30 CFEDHN COc1cc(C=NOCCN2CCCCC2)cc(OC)c1 ZINC000794727349 629680735 /nfs/dbraw/zinc/68/07/35/629680735.db2.gz KHPMPBWCSYGVED-UHFFFAOYSA-N 0 3 292.379 2.540 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796357514 629908303 /nfs/dbraw/zinc/90/83/03/629908303.db2.gz OIJHLZJDHYKOJK-GOSISDBHSA-N 0 3 265.356 2.855 20 30 CFEDHN C#CCCN1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796572795 629936201 /nfs/dbraw/zinc/93/62/01/629936201.db2.gz SVJNTOKCUMAYJY-HOTGVXAUSA-N 0 3 292.423 2.733 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)NC(C)C ZINC000796705747 629953119 /nfs/dbraw/zinc/95/31/19/629953119.db2.gz HMRXUCAXBITFRM-AWEZNQCLSA-N 0 3 268.401 2.942 20 30 CFEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000797548675 630078874 /nfs/dbraw/zinc/07/88/74/630078874.db2.gz LAXCAZBJHDREFU-ZDUSSCGKSA-N 0 3 282.299 2.803 20 30 CFEDHN N#Cc1ccc(CNCCSCc2ccccc2)nc1 ZINC000797603300 630087639 /nfs/dbraw/zinc/08/76/39/630087639.db2.gz DPTRQFKSTCYKKC-UHFFFAOYSA-N 0 3 283.400 2.976 20 30 CFEDHN N#CCOc1ccc(CN2CCC3(CCCC3=O)CC2)cc1 ZINC000852631990 634793244 /nfs/dbraw/zinc/79/32/44/634793244.db2.gz NNPJWOBLWORDSY-UHFFFAOYSA-N 0 3 298.386 2.924 20 30 CFEDHN N#CC(C(=O)CCCC1CCOCC1)c1ccccn1 ZINC000798817521 630241021 /nfs/dbraw/zinc/24/10/21/630241021.db2.gz YUZQDSZOBBQKNH-AWEZNQCLSA-N 0 3 272.348 2.855 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000799339453 630301229 /nfs/dbraw/zinc/30/12/29/630301229.db2.gz PFHPPXAETNQKHZ-YOEHRIQHSA-N 0 3 298.430 2.818 20 30 CFEDHN C#C[C@H](NC/C(C)=C/c1ccccc1)[C@H]1CCCO1 ZINC000800264901 630364636 /nfs/dbraw/zinc/36/46/36/630364636.db2.gz LGXKKWMGXVSFKI-WJUDILCISA-N 0 3 255.361 2.860 20 30 CFEDHN C#CCCOc1ccc(CN2CC(C3CCOCC3)C2)cc1 ZINC000800531667 630394731 /nfs/dbraw/zinc/39/47/31/630394731.db2.gz IEBFEATYAHKGEY-UHFFFAOYSA-N 0 3 299.414 2.947 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@@H]1c1ccsc1 ZINC000801915594 630483772 /nfs/dbraw/zinc/48/37/72/630483772.db2.gz SIBKQLSOTSEARK-DGCLKSJQSA-N 0 3 250.367 2.814 20 30 CFEDHN COc1ccc(CN(CCO[C@@H](C)C#N)C2CC2)cc1 ZINC000801910514 630485181 /nfs/dbraw/zinc/48/51/81/630485181.db2.gz SELJPQQCLLCZNH-ZDUSSCGKSA-N 0 3 274.364 2.588 20 30 CFEDHN C[C@H](C#N)OCCN(C)Cc1ccc(OC(F)F)cc1 ZINC000801910571 630485394 /nfs/dbraw/zinc/48/53/94/630485394.db2.gz VDBDFWQYGMUNRU-LLVKDONJSA-N 0 3 284.306 2.648 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@H]1c1cccc(F)c1 ZINC000801913617 630485946 /nfs/dbraw/zinc/48/59/46/630485946.db2.gz YNPFVXNNYAMDMK-DOMZBBRYSA-N 0 3 262.328 2.891 20 30 CFEDHN CCC[N@H+](CCO[C@H](C)C#N)Cc1ccccc1[O-] ZINC000801925281 630489539 /nfs/dbraw/zinc/48/95/39/630489539.db2.gz KTZADTZQMQIEJW-CYBMUJFWSA-N 0 3 262.353 2.533 20 30 CFEDHN CCC[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1[O-] ZINC000801925281 630489541 /nfs/dbraw/zinc/48/95/41/630489541.db2.gz KTZADTZQMQIEJW-CYBMUJFWSA-N 0 3 262.353 2.533 20 30 CFEDHN Cc1nc2c(s1)[C@@H](N(C)CCO[C@H](C)C#N)CCC2 ZINC000801932865 630490696 /nfs/dbraw/zinc/49/06/96/630490696.db2.gz ZXAOBGCZYBDGDA-MFKMUULPSA-N 0 3 279.409 2.689 20 30 CFEDHN Cc1cccnc1[C@H](NCCO[C@H](C)C#N)C(C)C ZINC000801933238 630490831 /nfs/dbraw/zinc/49/08/31/630490831.db2.gz LQUWUPQUSKFVNN-ZIAGYGMSSA-N 0 3 261.369 2.605 20 30 CFEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccccc1OC(F)F ZINC000801937575 630491400 /nfs/dbraw/zinc/49/14/00/630491400.db2.gz QBVGTRUEFSDMOB-MNOVXSKESA-N 0 3 284.306 2.867 20 30 CFEDHN CC[C@@H](NCCO[C@H](C)C#N)c1cc(F)ccc1F ZINC000801939756 630493294 /nfs/dbraw/zinc/49/32/94/630493294.db2.gz RRJZANXWZOOYCC-QMTHXVAHSA-N 0 3 268.307 2.934 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000801953856 630494968 /nfs/dbraw/zinc/49/49/68/630494968.db2.gz XPCZSEHKZKERGT-CZUORRHYSA-N 0 3 276.355 2.718 20 30 CFEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nc2ccccc2[nH]1 ZINC000802033091 630498581 /nfs/dbraw/zinc/49/85/81/630498581.db2.gz XZTWDVQPAXCQPX-XHNCKOQMSA-N 0 3 275.258 2.640 20 30 CFEDHN C1C[C@@H](NN=C2CCCC[C@H]2N2CCCCC2)CS1 ZINC000808000585 630936835 /nfs/dbraw/zinc/93/68/35/630936835.db2.gz QQGYDLCOJMUBOZ-UKRRQHHQSA-N 0 3 281.469 2.866 20 30 CFEDHN C1CC(NN=C2C3CC4CC(C3)CC2C4)CS1 ZINC000808003949 630939618 /nfs/dbraw/zinc/93/96/18/630939618.db2.gz ZYZPRIRVGONHCA-XHFUNPKLSA-N 0 3 250.411 2.894 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](C)c2ccnc(OC)c2)cc1 ZINC000808432248 630991767 /nfs/dbraw/zinc/99/17/67/630991767.db2.gz HICZNOBSQSBOHF-AWEZNQCLSA-N 0 3 296.370 2.953 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)C#CC(C)(C)C ZINC000837338733 631006201 /nfs/dbraw/zinc/00/62/01/631006201.db2.gz PVPMISCSYPGVAH-UHFFFAOYSA-N 0 3 258.365 2.736 20 30 CFEDHN CN(C(=O)C#CC1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000837416476 631024507 /nfs/dbraw/zinc/02/45/07/631024507.db2.gz DPITVMKRQROCMN-UHFFFAOYSA-N 0 3 296.414 2.523 20 30 CFEDHN CC(C)CN(C(=O)C#CC(C)(C)C)C1CCN(C)CC1 ZINC000837416241 631024716 /nfs/dbraw/zinc/02/47/16/631024716.db2.gz QIVOJOOFRZKRJI-UHFFFAOYSA-N 0 3 278.440 2.615 20 30 CFEDHN C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714987 631032953 /nfs/dbraw/zinc/03/29/53/631032953.db2.gz RCYADWQDYKKVGX-JQWIXIFHSA-N 0 3 269.772 2.942 20 30 CFEDHN CN(C(=O)C#CC1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000837448381 631033318 /nfs/dbraw/zinc/03/33/18/631033318.db2.gz XTEKVNGQAUIAKY-SFHVURJKSA-N 0 3 296.414 2.523 20 30 CFEDHN N#CC(C(=O)CCc1ccco1)c1nc2ccccc2[nH]1 ZINC000041495609 649991534 /nfs/dbraw/zinc/99/15/34/649991534.db2.gz BXJHANRHKBSVPX-LBPRGKRZSA-N 0 3 279.299 2.965 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OCCC)c(OCC)c1 ZINC000809683596 631261306 /nfs/dbraw/zinc/26/13/06/631261306.db2.gz HRDFTUJDPMHRGC-CYBMUJFWSA-N 0 3 261.365 2.985 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OCCC)c1 ZINC000809686015 631262859 /nfs/dbraw/zinc/26/28/59/631262859.db2.gz IKJCGOBOUOIWFZ-AWEZNQCLSA-N 0 3 261.365 2.985 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1cnn(CC)n1 ZINC000840971355 631289884 /nfs/dbraw/zinc/28/98/84/631289884.db2.gz LUFYDNXPCWBCTI-HNNXBMFYSA-N 0 3 270.380 2.575 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810013632 631315086 /nfs/dbraw/zinc/31/50/86/631315086.db2.gz JGZZLFSFMQFTQU-QGZVFWFLSA-N 0 3 288.366 2.819 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN1CCC[C@@H]1CO ZINC000841661221 631446374 /nfs/dbraw/zinc/44/63/74/631446374.db2.gz LMIXOFUBJKFARJ-RXPATQPPSA-N 0 3 299.418 2.740 20 30 CFEDHN C#CCCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842292864 631580665 /nfs/dbraw/zinc/58/06/65/631580665.db2.gz OHADAGCOIUBKGQ-UHFFFAOYSA-N 0 3 271.360 2.853 20 30 CFEDHN CN1CCCc2cc(C=NNC[C@H]3CCSC3)ccc21 ZINC000811662005 631599509 /nfs/dbraw/zinc/59/95/09/631599509.db2.gz ZMMFGUVEMULSON-CQSZACIVSA-N 0 3 289.448 2.746 20 30 CFEDHN c1ccc(CN2CCC(=NN3CCOCC3)CC23CC3)cc1 ZINC000842518877 631651187 /nfs/dbraw/zinc/65/11/87/631651187.db2.gz ALOQKHCZZVNARL-UHFFFAOYSA-N 0 3 299.418 2.503 20 30 CFEDHN C#C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)c1ccc(Cl)cc1 ZINC000812351108 631694436 /nfs/dbraw/zinc/69/44/36/631694436.db2.gz GCDWAYRUNKBKII-LSDHHAIUSA-N 0 3 292.810 2.717 20 30 CFEDHN N#CC(C(=O)[C@@H]1CCC(=O)C1)c1ccc2ccccc2n1 ZINC000842681856 631705672 /nfs/dbraw/zinc/70/56/72/631705672.db2.gz IKPCBLGVTOCZHJ-TZMCWYRMSA-N 0 3 278.311 2.780 20 30 CFEDHN Cc1nc(NCCN2CCC[C@H]2C)c(Cl)cc1C#N ZINC000812460606 631721985 /nfs/dbraw/zinc/72/19/85/631721985.db2.gz WFNSSYQLEXHJJR-SNVBAGLBSA-N 0 3 278.787 2.811 20 30 CFEDHN C#CCCOc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000812775127 631770828 /nfs/dbraw/zinc/77/08/28/631770828.db2.gz GRCQLDFIONJQPI-UHFFFAOYSA-N 0 3 255.361 2.931 20 30 CFEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000812824555 631791803 /nfs/dbraw/zinc/79/18/03/631791803.db2.gz VDTPFAIYKQGBDP-MRXNPFEDSA-N 0 3 289.354 2.709 20 30 CFEDHN N#Cc1ccc(N2CC[C@H](N3CCCCCCC3)C2=O)cc1 ZINC000813057580 631821061 /nfs/dbraw/zinc/82/10/61/631821061.db2.gz MUVQKLQCDYWKHU-KRWDZBQOSA-N 0 3 297.402 2.930 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813059607 631822403 /nfs/dbraw/zinc/82/24/03/631822403.db2.gz CZNOZOUEDFEJAU-CQSZACIVSA-N 0 3 283.331 2.590 20 30 CFEDHN N#CC(C(=O)CCCC1CC1)C(=O)NCc1ccccc1 ZINC000813060058 631822573 /nfs/dbraw/zinc/82/25/73/631822573.db2.gz ONDVQTOACQBVQQ-OAHLLOKOSA-N 0 3 284.359 2.592 20 30 CFEDHN CC(C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214460 631882771 /nfs/dbraw/zinc/88/27/71/631882771.db2.gz XTAONQNTLITWEO-JTQLQIEISA-N 0 3 286.253 2.702 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1-c1ccc(C)o1)C(C)C ZINC000843408290 631946859 /nfs/dbraw/zinc/94/68/59/631946859.db2.gz DHNHKUAUEHAEPH-AWEZNQCLSA-N 0 3 271.364 2.736 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cc(CN(C)[C@H](C)C#C)cc(OC)c1 ZINC000814633619 632100289 /nfs/dbraw/zinc/10/02/89/632100289.db2.gz HLWOIIBKFQPAFA-HZPDHXFCSA-N 0 3 298.430 2.602 20 30 CFEDHN Nc1ccc2c(c1)C(=NNC[C@H]1CCSC1)CCC2 ZINC000814934604 632172920 /nfs/dbraw/zinc/17/29/20/632172920.db2.gz BQHDMKGOBCENHN-LLVKDONJSA-N 0 3 275.421 2.652 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844356410 632178912 /nfs/dbraw/zinc/17/89/12/632178912.db2.gz IDULMUHGGURQKK-CZUORRHYSA-N 0 3 276.355 2.718 20 30 CFEDHN C#CCN(CCOCC=C)[C@@H]1CCc2ccccc21 ZINC000815023530 632188090 /nfs/dbraw/zinc/18/80/90/632188090.db2.gz XMADSOOWWHVRPJ-QGZVFWFLSA-N 0 3 255.361 2.812 20 30 CFEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000815163519 632220939 /nfs/dbraw/zinc/22/09/39/632220939.db2.gz RXZPMWOWPQJTAC-IJLUTSLNSA-N 0 3 299.399 2.813 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815651926 632305460 /nfs/dbraw/zinc/30/54/60/632305460.db2.gz JASFIEPUMRQHSY-OCCSQVGLSA-N 0 3 290.382 2.624 20 30 CFEDHN C=C(C)CONC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000845612124 632483549 /nfs/dbraw/zinc/48/35/49/632483549.db2.gz SDBOBGCHAPFUCF-STQMWFEESA-N 0 3 295.383 2.516 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845729547 632536714 /nfs/dbraw/zinc/53/67/14/632536714.db2.gz ATCYQDPQSNWMSZ-XJKSGUPXSA-N 0 3 283.412 2.631 20 30 CFEDHN C=C(C)[C@H](CC(=O)OC[C@@H]1CCN1C(C)(C)C)OCC ZINC000845733918 632540330 /nfs/dbraw/zinc/54/03/30/632540330.db2.gz MVNAZHBOMRCGCS-KBPBESRZSA-N 0 3 283.412 2.774 20 30 CFEDHN C#CCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882700 632590357 /nfs/dbraw/zinc/59/03/57/632590357.db2.gz PVJUBCLRSKBSEA-XHDPSFHLSA-N 0 3 293.294 2.879 20 30 CFEDHN CC(C)(C)OC(=O)NCCC1CC(NCC(C)(C)C#N)C1 ZINC000845954760 632604103 /nfs/dbraw/zinc/60/41/03/632604103.db2.gz SEUCMTJMCDBVJP-UHFFFAOYSA-N 0 3 295.427 2.819 20 30 CFEDHN COc1cccc([C@H](C)NCc2ccc(C#N)cn2)c1O ZINC000846163636 632651314 /nfs/dbraw/zinc/65/13/14/632651314.db2.gz JIJYODRMZCGTOB-NSHDSACASA-N 0 3 283.331 2.518 20 30 CFEDHN N#CC(C(=O)[C@@H]1CC12CC2)c1nc2ccccc2[nH]1 ZINC000817715024 632691264 /nfs/dbraw/zinc/69/12/64/632691264.db2.gz ZWZQJISOMNKYLC-ZJUUUORDSA-N 0 3 251.289 2.539 20 30 CFEDHN N#CC(C(=O)[C@H]1CC12CC2)c1nc2ccccc2[nH]1 ZINC000817715021 632691354 /nfs/dbraw/zinc/69/13/54/632691354.db2.gz ZWZQJISOMNKYLC-NXEZZACHSA-N 0 3 251.289 2.539 20 30 CFEDHN C=C(C)CO[N-]C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000846539633 632728555 /nfs/dbraw/zinc/72/85/55/632728555.db2.gz KJQYDDZXMJRQHX-MRXNPFEDSA-N 0 3 288.391 2.523 20 30 CFEDHN C=C(C)CO[N-]C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000846539633 632728557 /nfs/dbraw/zinc/72/85/57/632728557.db2.gz KJQYDDZXMJRQHX-MRXNPFEDSA-N 0 3 288.391 2.523 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)cn1)[C@H](O)c1ccccc1 ZINC000846903742 632840113 /nfs/dbraw/zinc/84/01/13/632840113.db2.gz YBUBHTXSJJEGST-ZWKOTPCHSA-N 0 3 295.386 2.801 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)cn1)[C@@H](O)c1ccccc1 ZINC000846903740 632840320 /nfs/dbraw/zinc/84/03/20/632840320.db2.gz YBUBHTXSJJEGST-ROUUACIJSA-N 0 3 295.386 2.801 20 30 CFEDHN COC(=O)C1(C#N)CCN(CCC(C)(C)C2CC2)CC1 ZINC000846954534 632857613 /nfs/dbraw/zinc/85/76/13/632857613.db2.gz AIEXSKHIBUERDM-UHFFFAOYSA-N 0 3 278.396 2.591 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(C2CCC2)cc1 ZINC000818588728 632873602 /nfs/dbraw/zinc/87/36/02/632873602.db2.gz DXIWXGXDOXAFHN-UHFFFAOYSA-N 0 3 284.403 2.639 20 30 CFEDHN C#C[C@@H]1CCCN([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000847021334 632884827 /nfs/dbraw/zinc/88/48/27/632884827.db2.gz JNGPETNZVHMNTH-SJLPKXTDSA-N 0 3 296.414 2.523 20 30 CFEDHN C#C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000848288039 633234504 /nfs/dbraw/zinc/23/45/04/633234504.db2.gz YSRZXJIGAHNTFQ-MRXNPFEDSA-N 0 3 296.414 2.768 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc2ccccc2c1 ZINC000848396187 633247825 /nfs/dbraw/zinc/24/78/25/633247825.db2.gz NGNMMEQLQLBETM-KRWDZBQOSA-N 0 3 295.386 2.867 20 30 CFEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000848398181 633248819 /nfs/dbraw/zinc/24/88/19/633248819.db2.gz DOXJIUGOTJAFLB-CQSZACIVSA-N 0 3 291.370 2.588 20 30 CFEDHN COc1c(C)cccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000848676796 633315723 /nfs/dbraw/zinc/31/57/23/633315723.db2.gz SDHBAEJNYRHNPY-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000848924721 633407533 /nfs/dbraw/zinc/40/75/33/633407533.db2.gz YVKWZKWMYNWDNK-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000848924721 633407537 /nfs/dbraw/zinc/40/75/37/633407537.db2.gz YVKWZKWMYNWDNK-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C[C@H](CC/N=C\c1cc(Cl)ccc1[O-])[NH+](C)C ZINC000849170457 633577995 /nfs/dbraw/zinc/57/79/95/633577995.db2.gz PNMQLBIEVQGKCN-XBDQXEDDSA-N 0 3 254.761 2.805 20 30 CFEDHN C#C[C@H](NCc1cc2ccncc2s1)[C@@H]1CCCO1 ZINC000850250868 633913248 /nfs/dbraw/zinc/91/32/48/633913248.db2.gz FDYXDBHJIRMCDB-KBPBESRZSA-N 0 3 272.373 2.567 20 30 CFEDHN Cc1nn(C)c(Cl)c1CNCCc1ccc(C#N)cc1 ZINC000850345827 633947836 /nfs/dbraw/zinc/94/78/36/633947836.db2.gz LTKOXQLTFYGPKL-UHFFFAOYSA-N 0 3 288.782 2.586 20 30 CFEDHN C=CCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000850354225 633951453 /nfs/dbraw/zinc/95/14/53/633951453.db2.gz AIBJWZPNPUKYOF-UHFFFAOYSA-N 0 3 286.169 2.829 20 30 CFEDHN C=CCOCCCNCc1c(Cl)n(C)nc1C(C)C ZINC000850378287 633965503 /nfs/dbraw/zinc/96/55/03/633965503.db2.gz XBAWNYWSPNCYND-UHFFFAOYSA-N 0 3 285.819 2.879 20 30 CFEDHN C=CCCCCC[C@@H](C)NCc1cn(CC)nn1 ZINC000850522158 634030653 /nfs/dbraw/zinc/03/06/53/634030653.db2.gz FZRAJQNOMHSEBY-CYBMUJFWSA-N 0 3 250.390 2.913 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2C[C@H](O)c3ccccc32)C1 ZINC000850529325 634035978 /nfs/dbraw/zinc/03/59/78/634035978.db2.gz QHVXREHVLLGRBS-KOZAUXTDSA-N 0 3 256.349 2.837 20 30 CFEDHN N#CC(C(=O)C1CC2(CC2(F)F)C1)c1ccccn1 ZINC000850755917 634080631 /nfs/dbraw/zinc/08/06/31/634080631.db2.gz KHFATYQTKPDWGQ-RUETXSTFSA-N 0 3 262.259 2.693 20 30 CFEDHN N#CC(C(=O)CCCF)C(=O)Nc1ccccc1Cl ZINC000850758714 634081530 /nfs/dbraw/zinc/08/15/30/634081530.db2.gz CSNJVHPEEJEPDO-SECBINFHSA-N 0 3 282.702 2.737 20 30 CFEDHN Cc1ccc([C@@H]2C[C@H]2C(=O)C(C#N)C(=O)NC(C)C)cc1C ZINC000850761114 634081852 /nfs/dbraw/zinc/08/18/52/634081852.db2.gz HHJWVBZIVHIYTQ-XHSDSOJGSA-N 0 3 298.386 2.640 20 30 CFEDHN C[C@@H](CC#N)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000850906448 634132382 /nfs/dbraw/zinc/13/23/82/634132382.db2.gz KBSQCWLCQRNWMS-ZDUSSCGKSA-N 0 3 290.363 2.585 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850977644 634163402 /nfs/dbraw/zinc/16/34/02/634163402.db2.gz AWLAETGKLFEPCO-GJZGRUSLSA-N 0 3 298.386 2.790 20 30 CFEDHN C=CC[C@@H]1CCCN(Cn2cc(-c3ccncn3)cn2)C1 ZINC000853537242 635032298 /nfs/dbraw/zinc/03/22/98/635032298.db2.gz SBICFGNKFHYIND-CQSZACIVSA-N 0 3 283.379 2.586 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000854387373 635297900 /nfs/dbraw/zinc/29/79/00/635297900.db2.gz XVFFMDXPGQPIQW-HNNXBMFYSA-N 0 3 292.810 2.718 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000856408908 635807288 /nfs/dbraw/zinc/80/72/88/635807288.db2.gz XFRXFRSKGARLDX-QLFBSQMISA-N 0 3 297.443 2.557 20 30 CFEDHN CCCCCCCC(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000856409760 635807461 /nfs/dbraw/zinc/80/74/61/635807461.db2.gz ZRHIUIHJCJTPPJ-KGLIPLIRSA-N 0 3 254.418 2.946 20 30 CFEDHN C=CCCn1cc(CNCC[C@H]2CC2(Cl)Cl)nn1 ZINC000856803234 635864089 /nfs/dbraw/zinc/86/40/89/635864089.db2.gz BQQXRHVNQVNLLG-JTQLQIEISA-N 0 3 289.210 2.528 20 30 CFEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000114617595 635866799 /nfs/dbraw/zinc/86/67/99/635866799.db2.gz IYXPBINWALDCKN-JSGCOSHPSA-N 0 3 276.380 2.534 20 30 CFEDHN CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(CCCC#N)C2 ZINC000856813511 635867874 /nfs/dbraw/zinc/86/78/74/635867874.db2.gz HZSLWWHWGUHWFT-BBRMVZONSA-N 0 3 293.411 2.669 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cncc(OCC)c2)C1 ZINC000857049090 635917711 /nfs/dbraw/zinc/91/77/11/635917711.db2.gz GFARTQGLWFCAAP-AWEZNQCLSA-N 0 3 258.365 2.716 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCCCCC)CC1 ZINC000858111818 636129386 /nfs/dbraw/zinc/12/93/86/636129386.db2.gz UTARPYNBZNKEPZ-UHFFFAOYSA-N 0 3 281.444 2.906 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc(OC)cc1Cl ZINC000858334417 636193889 /nfs/dbraw/zinc/19/38/89/636193889.db2.gz WMLMLBXBDPNIEH-CYBMUJFWSA-N 0 3 281.783 2.867 20 30 CFEDHN C#CC[C@@H](COC)NCc1cn(-c2cccc(C)c2)nc1C ZINC000858334498 636194564 /nfs/dbraw/zinc/19/45/64/636194564.db2.gz OQMCRIVLEBINKI-KRWDZBQOSA-N 0 3 297.402 2.617 20 30 CFEDHN C#CC[C@@H](COC)NCc1cc2cc(F)ccc2o1 ZINC000858335274 636196091 /nfs/dbraw/zinc/19/60/91/636196091.db2.gz RDYUFHSRLJOEJY-ZDUSSCGKSA-N 0 3 261.296 2.700 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000858334701 636196361 /nfs/dbraw/zinc/19/63/61/636196361.db2.gz XTDAZTGIBIYVJM-GZBFAFLISA-N 0 3 261.365 2.921 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000858335945 636197220 /nfs/dbraw/zinc/19/72/20/636197220.db2.gz OYYCXKMVIURJLB-AWEZNQCLSA-N 0 3 290.363 2.846 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2Nc1ccnc(CO)c1 ZINC000858518631 636280534 /nfs/dbraw/zinc/28/05/34/636280534.db2.gz UCUHYIOJCNNPFS-MRXNPFEDSA-N 0 3 265.316 2.545 20 30 CFEDHN C=CCN1CCC(NC(=O)OCC2CCCCC2)CC1 ZINC000858950166 636392014 /nfs/dbraw/zinc/39/20/14/636392014.db2.gz HFLCLFKQUALEST-UHFFFAOYSA-N 0 3 280.412 2.943 20 30 CFEDHN C#CCn1ccc(CN(CC)CC2CC(C)(C)C2)n1 ZINC000859283269 636531485 /nfs/dbraw/zinc/53/14/85/636531485.db2.gz ODFJNVAQISRESZ-UHFFFAOYSA-N 0 3 259.397 2.774 20 30 CFEDHN COc1ccc([C@@H]2CCN(CCO[C@@H](C)C#N)C2)cc1F ZINC000860104230 636788975 /nfs/dbraw/zinc/78/89/75/636788975.db2.gz KTVWZIXPWMVWFG-GXTWGEPZSA-N 0 3 292.354 2.552 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000860483166 636894360 /nfs/dbraw/zinc/89/43/60/636894360.db2.gz PXIRHBGBAQCVON-RYUDHWBXSA-N 0 3 297.314 2.516 20 30 CFEDHN Cc1ccccc1CO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000860657638 636939389 /nfs/dbraw/zinc/93/93/89/636939389.db2.gz ZJDRDQHDLHCTGP-DZGCQCFKSA-N 0 3 295.342 2.567 20 30 CFEDHN CCCCCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000862356187 637329928 /nfs/dbraw/zinc/32/99/28/637329928.db2.gz DMHMWODQVLRFHS-CQSZACIVSA-N 0 3 252.402 2.700 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000862447865 637389092 /nfs/dbraw/zinc/38/90/92/637389092.db2.gz RPHXJWPTCCBXOY-CQSZACIVSA-N 0 3 283.350 2.857 20 30 CFEDHN C#CC[C@@H](CCOC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000862548160 637420390 /nfs/dbraw/zinc/42/03/90/637420390.db2.gz YZNLBIXVAUOXFC-ZDUSSCGKSA-N 0 3 297.782 2.572 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000862627708 637454467 /nfs/dbraw/zinc/45/44/67/637454467.db2.gz CVXMZLRPQBAPJM-ZDUSSCGKSA-N 0 3 286.366 2.721 20 30 CFEDHN Cc1cc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)ccn1 ZINC000863158454 637572572 /nfs/dbraw/zinc/57/25/72/637572572.db2.gz CAGZQDGTYXYDPE-IINYFYTJSA-N 0 3 255.321 2.974 20 30 CFEDHN COCCOc1ccc(C(C)=NNc2ccnc(C)c2)cc1 ZINC000863158718 637572670 /nfs/dbraw/zinc/57/26/70/637572670.db2.gz NCYXBZBEVJBWEA-UHFFFAOYSA-N 0 3 299.374 2.673 20 30 CFEDHN COc1cc2c(cc1C=NNc1ccnc(C)c1)O[C@@H](C)C2 ZINC000863158865 637573360 /nfs/dbraw/zinc/57/33/60/637573360.db2.gz VFTOGCZAMWTXLN-LBPRGKRZSA-N 0 3 297.358 2.590 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(F)c(Cl)c1 ZINC000863178923 637579787 /nfs/dbraw/zinc/57/97/87/637579787.db2.gz KQIXSHGGFROLQQ-MRVPVSSYSA-N 0 3 255.724 2.829 20 30 CFEDHN C#CCCCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000119857550 637880673 /nfs/dbraw/zinc/88/06/73/637880673.db2.gz DCYPJMNXVLLUIT-UHFFFAOYSA-N 0 3 290.451 2.903 20 30 CFEDHN CCCCCCCNCc1cn(C[C@H]2CCCO2)nn1 ZINC000865404891 638315039 /nfs/dbraw/zinc/31/50/39/638315039.db2.gz VRDNVUQHSCYTTG-OAHLLOKOSA-N 0 3 280.416 2.517 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCCC(F)(F)F ZINC000865480743 638367733 /nfs/dbraw/zinc/36/77/33/638367733.db2.gz BPJCRCPDVQHRAP-UHFFFAOYSA-N 0 3 271.286 2.666 20 30 CFEDHN C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1[O-])CN1CCCC1 ZINC000866239194 638777426 /nfs/dbraw/zinc/77/74/26/638777426.db2.gz ROAHODXIMHBXFE-ZIAGYGMSSA-N 0 3 287.407 2.646 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1cc(C(=O)OCC)no1 ZINC000866514827 638833817 /nfs/dbraw/zinc/83/38/17/638833817.db2.gz SXHCFCVBODOJAR-QWRGUYRKSA-N 0 3 266.341 2.542 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1cc(C(=O)OCC)no1 ZINC000866514826 638834106 /nfs/dbraw/zinc/83/41/06/638834106.db2.gz SXHCFCVBODOJAR-MNOVXSKESA-N 0 3 266.341 2.542 20 30 CFEDHN CCNN=Cc1c(C)nn(-c2ccccc2)c1N1CCCC1 ZINC000866599876 638852074 /nfs/dbraw/zinc/85/20/74/638852074.db2.gz GFBULXSKGCRPKL-UHFFFAOYSA-N 0 3 297.406 2.724 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(C2CC2)cc1F ZINC000868025595 638916419 /nfs/dbraw/zinc/91/64/19/638916419.db2.gz SAQKKDGMGGBVFT-ZDUSSCGKSA-N 0 3 275.327 2.663 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000122289237 638978949 /nfs/dbraw/zinc/97/89/49/638978949.db2.gz MWINBKAXJXPPLZ-STQMWFEESA-N 0 3 295.427 2.962 20 30 CFEDHN COc1cc(CN(C)C)ccc1NC(=O)C#CC(C)(C)C ZINC000868818175 638982405 /nfs/dbraw/zinc/98/24/05/638982405.db2.gz TTXAYXNFEILVHP-UHFFFAOYSA-N 0 3 288.391 2.745 20 30 CFEDHN Cc1cccc(CO[C@@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000870288273 639582011 /nfs/dbraw/zinc/58/20/11/639582011.db2.gz OUJUJIDVYJZJMM-ZFWWWQNUSA-N 0 3 295.342 2.567 20 30 CFEDHN CCCCCCN(C)CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000870672156 639762519 /nfs/dbraw/zinc/76/25/19/639762519.db2.gz JVZUEHLFDDYPTQ-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(F)s2)CC1 ZINC001006465236 650556062 /nfs/dbraw/zinc/55/60/62/650556062.db2.gz JZQRSKKWFFFXPB-UHFFFAOYSA-N 0 3 282.384 2.610 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870908618 641117757 /nfs/dbraw/zinc/11/77/57/641117757.db2.gz RVNFLNZRPVOZKU-QGZVFWFLSA-N 0 3 298.430 2.735 20 30 CFEDHN C#CCSCCN[C@H](C)c1cc(O)ccc1F ZINC000872049388 641584105 /nfs/dbraw/zinc/58/41/05/641584105.db2.gz RTKVSRAXMIVJPK-SNVBAGLBSA-N 0 3 253.342 2.548 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc(O)ccc1F ZINC000872076559 641609107 /nfs/dbraw/zinc/60/91/07/641609107.db2.gz NGAZRKJNNJMORN-KMUNFCNLSA-N 0 3 265.328 2.916 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(O)ccc1F ZINC000872078070 641610464 /nfs/dbraw/zinc/61/04/64/641610464.db2.gz OTOFHPWZHKHHTE-WDEREUQCSA-N 0 3 253.317 2.509 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078226 641610523 /nfs/dbraw/zinc/61/05/23/641610523.db2.gz ADGSXYGHLNMQLW-SUNKGSAMSA-N 0 3 294.326 2.976 20 30 CFEDHN CCNc1ccccc1C=NOCCOC(C)C ZINC000872377116 641780599 /nfs/dbraw/zinc/78/05/99/641780599.db2.gz XMDQBNHEYDZLDO-UHFFFAOYSA-N 0 3 250.342 2.894 20 30 CFEDHN Cc1cccc([C@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000124150234 641858797 /nfs/dbraw/zinc/85/87/97/641858797.db2.gz WPAQHVXNEPVPLQ-BBRMVZONSA-N 0 3 298.386 2.866 20 30 CFEDHN C=CCCn1cc(CNCCC[C@@H]2C=CCC2)nn1 ZINC000873154188 642036126 /nfs/dbraw/zinc/03/61/26/642036126.db2.gz RASWVIHRVIZSEJ-CQSZACIVSA-N 0 3 260.385 2.690 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000873193221 642057939 /nfs/dbraw/zinc/05/79/39/642057939.db2.gz JZKQRGVPHYOTEW-CVEARBPZSA-N 0 3 270.332 2.753 20 30 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CFEDHN CCCc1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884056278 646168100 /nfs/dbraw/zinc/16/81/00/646168100.db2.gz RKOBBGHVKYARGQ-SWKXRBFHSA-N 0 3 297.402 2.717 20 30 CFEDHN CCc1cc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)ccc1C ZINC000884311466 646301587 /nfs/dbraw/zinc/30/15/87/646301587.db2.gz CHSPGFTVFILCDP-SWKXRBFHSA-N 0 3 297.402 2.635 20 30 CFEDHN CC(=NNCCOC(C)C)c1c(C)cc(N)cc1C ZINC000884447798 646363243 /nfs/dbraw/zinc/36/32/43/646363243.db2.gz JMTHVUVTFYOZAI-UHFFFAOYSA-N 0 3 263.385 2.624 20 30 CFEDHN CCN(Cc1ccoc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885981932 646794633 /nfs/dbraw/zinc/79/46/33/646794633.db2.gz QRBWROXCDCLFIQ-AWEZNQCLSA-N 0 3 262.353 2.546 20 30 CFEDHN C=C(C)COCCNCc1cc(C)cc(OC)c1OC ZINC000886021193 646823550 /nfs/dbraw/zinc/82/35/50/646823550.db2.gz QTOAPZLDFUOESY-UHFFFAOYSA-N 0 3 279.380 2.695 20 30 CFEDHN N#CCCCNCc1ccccc1OCC(F)F ZINC000886059598 646848271 /nfs/dbraw/zinc/84/82/71/646848271.db2.gz JIBCPUFNOZLAOO-UHFFFAOYSA-N 0 3 254.280 2.724 20 30 CFEDHN 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/nfs/dbraw/zinc/71/55/36/648715536.db2.gz PXORMDZSYWSCMQ-NVXWUHKLSA-N 0 3 289.423 2.901 20 30 CFEDHN CC[C@@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccccc1[O-] ZINC000927166404 648734213 /nfs/dbraw/zinc/73/42/13/648734213.db2.gz XIXFNQPTOAWPHQ-OAHLLOKOSA-N 0 3 296.374 2.812 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC000928439035 648911464 /nfs/dbraw/zinc/91/14/64/648911464.db2.gz GYOASBCEXJKTEG-VNQPRFMTSA-N 0 3 272.392 2.555 20 30 CFEDHN C=CC(C)(C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000929562927 649069644 /nfs/dbraw/zinc/06/96/44/649069644.db2.gz JENDCJHKBUCSEC-UHFFFAOYSA-N 0 3 261.369 2.834 20 30 CFEDHN C=C1CCN(C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000929603800 649076596 /nfs/dbraw/zinc/07/65/96/649076596.db2.gz NDIKLLWSUIPPKG-DLBZAZTESA-N 0 3 275.392 2.513 20 30 CFEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929756341 649113221 /nfs/dbraw/zinc/11/32/21/649113221.db2.gz FANWHEAEQRDISA-ZBFHGGJFSA-N 0 3 273.380 2.589 20 30 CFEDHN N#CC[C@@H](O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000929815547 649129294 /nfs/dbraw/zinc/12/92/94/649129294.db2.gz DPEMVINAQKAZIM-SJLPKXTDSA-N 0 3 284.403 2.631 20 30 CFEDHN COC(=O)CN(CC1CCC(C#N)CC1)C1CCCC1 ZINC000929834329 649134806 /nfs/dbraw/zinc/13/48/06/649134806.db2.gz LHDLDQCPNURNNN-UHFFFAOYSA-N 0 3 278.396 2.734 20 30 CFEDHN N#CC[C@@H](O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000929860602 649141220 /nfs/dbraw/zinc/14/12/20/649141220.db2.gz KELZCMFZEVFTAI-QZTJIDSGSA-N 0 3 280.371 2.835 20 30 CFEDHN C[C@H](C#N)CN(C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000930088344 649181524 /nfs/dbraw/zinc/18/15/24/649181524.db2.gz QUSFBAZXCIZCMV-VCDKRKBESA-N 0 3 254.324 2.902 20 30 CFEDHN COCC1(N(C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930121768 649188729 /nfs/dbraw/zinc/18/87/29/649188729.db2.gz WTZQEWXYIROLLG-UHFFFAOYSA-N 0 3 264.756 2.822 20 30 CFEDHN CN(CCc1cnccn1)Cc1cc(Cl)cc(C#N)c1 ZINC000930170269 649197219 /nfs/dbraw/zinc/19/72/19/649197219.db2.gz XRVCPEREAGSZSJ-UHFFFAOYSA-N 0 3 286.766 2.676 20 30 CFEDHN C[C@@H]1C[C@@H]1[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930238042 649211976 /nfs/dbraw/zinc/21/19/76/649211976.db2.gz MBEATIIPRYNSIV-QPKOPYBWSA-N 0 3 278.783 2.901 20 30 CFEDHN C[C@@H]1OCC[C@@]12CN(CCCCC1(C#N)CCC1)CCO2 ZINC000930275494 649220627 /nfs/dbraw/zinc/22/06/27/649220627.db2.gz JWSHDEWQTXZAFC-DOTOQJQBSA-N 0 3 292.423 2.730 20 30 CFEDHN N#CC1(CCCCN2CCO[C@]3(CCCOC3)C2)CCC1 ZINC000930438992 649247418 /nfs/dbraw/zinc/24/74/18/649247418.db2.gz OIZQHYQCCPUHSB-QGZVFWFLSA-N 0 3 292.423 2.732 20 30 CFEDHN N#CC1(CCCCN2CCO[C@@]3(CCCOC3)C2)CCC1 ZINC000930438989 649247877 /nfs/dbraw/zinc/24/78/77/649247877.db2.gz OIZQHYQCCPUHSB-KRWDZBQOSA-N 0 3 292.423 2.732 20 30 CFEDHN CO[C@H](C)CN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000930477194 649257136 /nfs/dbraw/zinc/25/71/36/649257136.db2.gz ZOGAPUBUKIQDGQ-SNVBAGLBSA-N 0 3 252.745 2.678 20 30 CFEDHN N#Cc1cc(Cl)cc(CN2CC[C@H](CCCO)C2)c1 ZINC000930677646 649304727 /nfs/dbraw/zinc/30/47/27/649304727.db2.gz XTDAEWKMCAIFRG-LBPRGKRZSA-N 0 3 278.783 2.806 20 30 CFEDHN N#Cc1cncc(CN2CCSC3(CCC3)CC2)c1 ZINC000930711029 649312591 /nfs/dbraw/zinc/31/25/91/649312591.db2.gz HWJGVGQPMOTOSE-UHFFFAOYSA-N 0 3 273.405 2.815 20 30 CFEDHN C=CCN(C[C@@H]1CC[C@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930930422 649352343 /nfs/dbraw/zinc/35/23/43/649352343.db2.gz HJJJOFQSHRIICF-SDDRHHMPSA-N 0 3 281.318 2.619 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000931026199 649366903 /nfs/dbraw/zinc/36/69/03/649366903.db2.gz SDLFQGXJZFIJDK-IAGOWNOFSA-N 0 3 285.391 2.734 20 30 CFEDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931066637 649374631 /nfs/dbraw/zinc/37/46/31/649374631.db2.gz ZDTNFMDOUJKARD-XBXGTLAGSA-N 0 3 292.766 2.595 20 30 CFEDHN CC(C)(NC[C@H](O)CC#N)c1ccc2ccccc2c1 ZINC000931334307 649410891 /nfs/dbraw/zinc/41/08/91/649410891.db2.gz JZSJCMYQUHRORM-MRXNPFEDSA-N 0 3 268.360 2.939 20 30 CFEDHN N#Cc1ccc(OCCN2CCC(c3ncco3)CC2)cc1 ZINC000931450202 649430083 /nfs/dbraw/zinc/43/00/83/649430083.db2.gz SGIQEGNFYQSZSD-UHFFFAOYSA-N 0 3 297.358 2.805 20 30 CFEDHN N#Cc1cncc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000931555447 649453841 /nfs/dbraw/zinc/45/38/41/649453841.db2.gz FKLMFQUELNTQPV-CHWSQXEVSA-N 0 3 281.281 2.940 20 30 CFEDHN Cc1nc([C@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000931949165 649518379 /nfs/dbraw/zinc/51/83/79/649518379.db2.gz NWMIBCPYASEZCI-NHYWBVRUSA-N 0 3 282.347 2.800 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)N(CCN(C)C)CC(C)C ZINC000932030362 649526011 /nfs/dbraw/zinc/52/60/11/649526011.db2.gz BHKHJDYFEQNJOB-UHFFFAOYSA-N 0 3 287.407 2.527 20 30 CFEDHN C[C@H](C#N)OCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932215447 649565448 /nfs/dbraw/zinc/56/54/48/649565448.db2.gz ZPELVJPXTWCSOH-UKRRQHHQSA-N 0 3 286.375 2.951 20 30 CFEDHN CC(C)(C#N)CCCN[C@@H](c1ncccn1)C1CC1 ZINC000932361459 649585187 /nfs/dbraw/zinc/58/51/87/649585187.db2.gz SPNPAJCHGHOKIX-CYBMUJFWSA-N 0 3 258.369 2.847 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000932388471 649590923 /nfs/dbraw/zinc/59/09/23/649590923.db2.gz LGUKQYWOIBFMCD-AWEZNQCLSA-N 0 3 269.747 2.856 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc(F)c(F)c1)C(C)(C)C ZINC000932464109 649605940 /nfs/dbraw/zinc/60/59/40/649605940.db2.gz MAMFPIMZWUNGRY-AWEZNQCLSA-N 0 3 267.319 2.732 20 30 CFEDHN C#CCC1(NCc2nnc(C(C)C)[nH]2)CCCCC1 ZINC000933265667 649683800 /nfs/dbraw/zinc/68/38/00/649683800.db2.gz IKRRNSQKPVHYCJ-UHFFFAOYSA-N 0 3 260.385 2.744 20 30 CFEDHN C#CCC1(NCc2csc(C(=O)OC)c2)CCC1 ZINC000933293856 649685638 /nfs/dbraw/zinc/68/56/38/649685638.db2.gz CRCQIKYSAHHIMR-UHFFFAOYSA-N 0 3 263.362 2.570 20 30 CFEDHN C#CCC1(NCc2ccc(C#N)cc2OC)CCC1 ZINC000933299145 649685815 /nfs/dbraw/zinc/68/58/15/649685815.db2.gz NZIGNBRVMQQKOB-UHFFFAOYSA-N 0 3 254.333 2.602 20 30 CFEDHN C#CCC1(NCC(=O)N2c3ccccc3CC[C@H]2C)CCC1 ZINC000933303724 649686133 /nfs/dbraw/zinc/68/61/33/649686133.db2.gz YPLRQAGNZPTUCV-OAHLLOKOSA-N 0 3 296.414 2.890 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CCC1 ZINC000933303651 649686273 /nfs/dbraw/zinc/68/62/73/649686273.db2.gz QUFJJJFCLIOBKC-CABCVRRESA-N 0 3 296.414 2.888 20 30 CFEDHN Cc1noc(C[C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000933569684 649702672 /nfs/dbraw/zinc/70/26/72/649702672.db2.gz LVBJCDJXNVUAMO-INIZCTEOSA-N 0 3 296.374 2.704 20 30 CFEDHN CCCCCCCCCN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933724399 649717365 /nfs/dbraw/zinc/71/73/65/649717365.db2.gz MODGTJFUEBYISA-GASCZTMLSA-N 0 3 287.469 2.713 20 30 CFEDHN CN1CCCN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC000933851205 649725168 /nfs/dbraw/zinc/72/51/68/649725168.db2.gz WJLKGDBCPBRFLW-UHFFFAOYSA-N 0 3 298.390 2.605 20 30 CFEDHN COc1ccc([C@H]2CCCN2CCCCC#N)nc1 ZINC000934348497 649778561 /nfs/dbraw/zinc/77/85/61/649778561.db2.gz FVVOHKWAVGXXTO-OAHLLOKOSA-N 0 3 259.353 2.921 20 30 CFEDHN C=CC[C@@H]1CCN1CCOCC(F)(F)C(F)F ZINC000934460884 649787866 /nfs/dbraw/zinc/78/78/66/649787866.db2.gz KSFVZFABOHLGEH-SECBINFHSA-N 0 3 255.255 2.554 20 30 CFEDHN C=C(C)CN[C@](C)(CO)c1cccc(Br)c1 ZINC000934492277 649794725 /nfs/dbraw/zinc/79/47/25/649794725.db2.gz ATXZNFKQSVHCEH-CYBMUJFWSA-N 0 3 284.197 2.822 20 30 CFEDHN CSCC(C)(C)NCc1cc(C#N)ccc1F ZINC000934678496 649814944 /nfs/dbraw/zinc/81/49/44/649814944.db2.gz PJTNRNNSOVDMRA-UHFFFAOYSA-N 0 3 252.358 2.929 20 30 CFEDHN C=C(C)c1cccc(NC(=O)N(C)CCN(C)C)c1 ZINC000934877106 649846184 /nfs/dbraw/zinc/84/61/84/649846184.db2.gz OFPAXYFNBGUVHG-UHFFFAOYSA-N 0 3 261.369 2.745 20 30 CFEDHN C#C[C@@H](NCc1cnc(N(CC)CC)s1)C(C)C ZINC000305905613 651086822 /nfs/dbraw/zinc/08/68/22/651086822.db2.gz COJALYCMUKNKEO-CYBMUJFWSA-N 0 3 265.426 2.737 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cscc2C)C1 ZINC001007005785 651130661 /nfs/dbraw/zinc/13/06/61/651130661.db2.gz PQOPKIRUBWCIOB-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001008074874 651142330 /nfs/dbraw/zinc/14/23/30/651142330.db2.gz CTQIXDCFWPFGKM-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001008355339 651146933 /nfs/dbraw/zinc/14/69/33/651146933.db2.gz HVHSPOKMMBLRRC-QGZVFWFLSA-N 0 3 286.419 2.694 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001010748411 651178675 /nfs/dbraw/zinc/17/86/75/651178675.db2.gz NCSSMHRCEZQILY-OAHLLOKOSA-N 0 3 262.397 2.644 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001014659435 651190509 /nfs/dbraw/zinc/19/05/09/651190509.db2.gz NLJDPAGHLCJQNN-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014893406 651193177 /nfs/dbraw/zinc/19/31/77/651193177.db2.gz IFJNXUDZKOHNSD-LBPRGKRZSA-N 0 3 294.345 2.653 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014922229 651194259 /nfs/dbraw/zinc/19/42/59/651194259.db2.gz ZRVUJIHKCQXYSX-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001015142615 651196063 /nfs/dbraw/zinc/19/60/63/651196063.db2.gz GFMDAYRILFWCDQ-ZDUSSCGKSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015307991 651198777 /nfs/dbraw/zinc/19/87/77/651198777.db2.gz VCRXZCJWKPGWGF-HNNXBMFYSA-N 0 3 276.424 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/nfs/dbraw/zinc/22/18/09/651221809.db2.gz SOWRWFRQIQXAJF-BZUAXINKSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016042190 651221879 /nfs/dbraw/zinc/22/18/79/651221879.db2.gz SOWRWFRQIQXAJF-JYJNAYRXSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001016104729 651224898 /nfs/dbraw/zinc/22/48/98/651224898.db2.gz QYNXXXNNAXSAMO-LLVKDONJSA-N 0 3 289.404 2.610 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016130083 651225231 /nfs/dbraw/zinc/22/52/31/651225231.db2.gz UXDUTOOQMYLIIN-MRXNPFEDSA-N 0 3 288.435 2.561 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001016356473 651231560 /nfs/dbraw/zinc/23/15/60/651231560.db2.gz IWKVRWAGEFQFKO-HNNXBMFYSA-N 0 3 298.430 2.864 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001016356474 651231626 /nfs/dbraw/zinc/23/16/26/651231626.db2.gz IWKVRWAGEFQFKO-OAHLLOKOSA-N 0 3 298.430 2.864 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)C2(C)CCCCC2)CC1 ZINC001016812144 651241162 /nfs/dbraw/zinc/24/11/62/651241162.db2.gz YXGFVEIYOSUHGK-OAHLLOKOSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C=C)cc2)CC1 ZINC001016840710 651241725 /nfs/dbraw/zinc/24/17/25/651241725.db2.gz QRUHBQOZSQPZOI-QGZVFWFLSA-N 0 3 294.398 2.547 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C1CC1 ZINC001017440068 651251101 /nfs/dbraw/zinc/25/11/01/651251101.db2.gz BMNGIMWMJHXWPT-QVOOOWOGSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001017442814 651251967 /nfs/dbraw/zinc/25/19/67/651251967.db2.gz HHOSCCXTKLWDJD-IYBDPMFKSA-N 0 3 276.424 2.818 20 30 CFEDHN CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001017541993 651254090 /nfs/dbraw/zinc/25/40/90/651254090.db2.gz PUBQASZNVHGZPU-IYBDPMFKSA-N 0 3 288.435 2.511 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001017968718 651262475 /nfs/dbraw/zinc/26/24/75/651262475.db2.gz VFZNCCIMJCPHMX-GASCZTMLSA-N 0 3 294.414 2.768 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001017972969 651263157 /nfs/dbraw/zinc/26/31/57/651263157.db2.gz HMJWIWCOFYPPKV-WCXIOVBPSA-N 0 3 290.451 2.920 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001018004835 651264035 /nfs/dbraw/zinc/26/40/35/651264035.db2.gz MLKFYFQBXWYNPT-XHSDSOJGSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867498 782190283 /nfs/dbraw/zinc/19/02/83/782190283.db2.gz NFZAHIHDJRPBSG-IXDOHACOSA-N 0 3 290.451 2.922 20 30 CFEDHN C[C@H]1CN(c2nccc3ccc(C#N)cc32)[C@@H](C)CN1C ZINC001164631078 719186053 /nfs/dbraw/zinc/18/60/53/719186053.db2.gz AIRFGVZTWZTDAC-STQMWFEESA-N 0 3 280.375 2.635 20 30 CFEDHN CC(C)CN1CCN(c2ccc(C3(C#N)CCC3)cn2)CC1 ZINC001164654006 719333325 /nfs/dbraw/zinc/33/33/25/719333325.db2.gz KFCVIMNSRDUHGT-UHFFFAOYSA-N 0 3 298.434 2.805 20 30 CFEDHN CN(C)Cc1ccnc(N(CCC#N)C2CCCC2)c1 ZINC001165016603 721835757 /nfs/dbraw/zinc/83/57/57/721835757.db2.gz DBVCZHUGLHIEFJ-UHFFFAOYSA-N 0 3 272.396 2.806 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995527 782232353 /nfs/dbraw/zinc/23/23/53/782232353.db2.gz OLUIUFNIMRGHDC-MRXNPFEDSA-N 0 3 298.430 2.898 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001085989135 782228380 /nfs/dbraw/zinc/22/83/80/782228380.db2.gz IQZXLHXMHKLOAK-BACDZXNISA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccsc2)C1 ZINC001086021883 782242328 /nfs/dbraw/zinc/24/23/28/782242328.db2.gz PGORQXNJSTYVCS-KLPPZKSPSA-N 0 3 284.812 2.599 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001209266212 770026834 /nfs/dbraw/zinc/02/68/34/770026834.db2.gz HHMRNADIUHNDJJ-AWEZNQCLSA-N 0 3 280.412 2.731 20 30 CFEDHN C=CCCC(=O)N(CCC)C1CCN(CC=C)CC1 ZINC001266384484 770056413 /nfs/dbraw/zinc/05/64/13/770056413.db2.gz KGOPMXZHQISFLA-UHFFFAOYSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCCCCCCN1CCCC2(C1)OCCO2 ZINC001209440395 770090890 /nfs/dbraw/zinc/09/08/90/770090890.db2.gz JNDYDHXHZVIRSQ-UHFFFAOYSA-N 0 3 253.386 2.962 20 30 CFEDHN C=CCCCCCCCCN1CCN2CCOC[C@@H]2C1 ZINC001209442232 770093025 /nfs/dbraw/zinc/09/30/25/770093025.db2.gz CAAZKKJHLUKTFK-KRWDZBQOSA-N 0 3 280.456 2.920 20 30 CFEDHN C=CCCCCCCN1CC(N(C)[C@@H]2CCOC2)C1 ZINC001209436113 770088868 /nfs/dbraw/zinc/08/88/68/770088868.db2.gz NSJHSEGTSQKJLR-OAHLLOKOSA-N 0 3 266.429 2.528 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](C)NCc1ccnc(Cl)c1 ZINC001266967545 770776816 /nfs/dbraw/zinc/77/68/16/770776816.db2.gz NEWNEZOMZTVCLU-GFCCVEGCSA-N 0 3 295.814 2.686 20 30 CFEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC001040056513 777780180 /nfs/dbraw/zinc/78/01/80/777780180.db2.gz UHRQMGJDFIJYTC-QGZVFWFLSA-N 0 3 288.391 2.702 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@H](C)N(C)C[C@H]1CCCCO1 ZINC001282390521 769906857 /nfs/dbraw/zinc/90/68/57/769906857.db2.gz YNXKYDIAPWUNSW-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)CC(C)(F)F)CC1 ZINC001167080460 769929014 /nfs/dbraw/zinc/92/90/14/769929014.db2.gz MGJOOXAZRJAXFC-UHFFFAOYSA-N 0 3 294.773 2.660 20 30 CFEDHN CCCCCCCN1CC[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001266304873 769942981 /nfs/dbraw/zinc/94/29/81/769942981.db2.gz GWCPIUKGMJETOI-KGLIPLIRSA-N 0 3 286.485 2.899 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039055108 769965756 /nfs/dbraw/zinc/96/57/56/769965756.db2.gz BTMSYAXHAKQJBZ-SJJHQCBESA-N 0 3 290.451 2.969 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001266377086 770047694 /nfs/dbraw/zinc/04/76/94/770047694.db2.gz OKNYPXRXSAELPO-UJZCVKTISA-N 0 3 296.842 2.922 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)C2(C)CC(=C)C2)CC1 ZINC001167130199 770075104 /nfs/dbraw/zinc/07/51/04/770075104.db2.gz LNSSFFZYFLTBDS-UHFFFAOYSA-N 0 3 296.842 2.971 20 30 CFEDHN C=CCCCCCCN1CCN(CC(C)(C)O)CC1 ZINC001209438637 770089210 /nfs/dbraw/zinc/08/92/10/770089210.db2.gz QGKQUKMBLDYSEL-UHFFFAOYSA-N 0 3 268.445 2.511 20 30 CFEDHN CN1CC[C@H](Nc2nc(-c3ccccc3)ccc2C#N)C1 ZINC001167270015 770194405 /nfs/dbraw/zinc/19/44/05/770194405.db2.gz 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/nfs/dbraw/zinc/32/59/61/770325961.db2.gz PBLTXTZNQNWHSI-UHFFFAOYSA-N 0 3 290.407 2.800 20 30 CFEDHN C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccccc1[O-] ZINC001266556492 770325970 /nfs/dbraw/zinc/32/59/70/770325970.db2.gz PBLTXTZNQNWHSI-UHFFFAOYSA-N 0 3 290.407 2.800 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001167403494 770428857 /nfs/dbraw/zinc/42/88/57/770428857.db2.gz XKIBDCRQLZLFTH-AWEZNQCLSA-N 0 3 294.826 2.947 20 30 CFEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001283079873 770553506 /nfs/dbraw/zinc/55/35/06/770553506.db2.gz KRRYFFZUUVXKOE-JOCQHMNTSA-N 0 3 282.815 2.580 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001022064196 770613442 /nfs/dbraw/zinc/61/34/42/770613442.db2.gz AFXIQNURFMARGD-ZDEQEGDKSA-N 0 3 288.794 2.504 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001266891993 770718220 /nfs/dbraw/zinc/71/82/20/770718220.db2.gz SFUBGCMQGPOAAW-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1ccc2ccccc2c1 ZINC001267010721 770805690 /nfs/dbraw/zinc/80/56/90/770805690.db2.gz IHUODHQDEBPMAF-UHFFFAOYSA-N 0 3 280.371 2.525 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)CCCCC)C[C@H]1c1ccccc1 ZINC001211532535 770805705 /nfs/dbraw/zinc/80/57/05/770805705.db2.gz WKYGOVGQBMRVGL-ZWKOTPCHSA-N 0 3 298.430 2.784 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001267026763 770823606 /nfs/dbraw/zinc/82/36/06/770823606.db2.gz UNXYJPGHSMVHGP-CVEARBPZSA-N 0 3 278.440 2.663 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001267026578 770824599 /nfs/dbraw/zinc/82/45/99/770824599.db2.gz QWURDSCFVQKSOJ-HNNXBMFYSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001267110468 770911686 /nfs/dbraw/zinc/91/16/86/770911686.db2.gz CYZJLWNLQBVEIX-INIZCTEOSA-N 0 3 278.440 2.759 20 30 CFEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001161397652 770989653 /nfs/dbraw/zinc/98/96/53/770989653.db2.gz CNINCSYKHGUQJO-WBVHZDCISA-N 0 3 288.435 2.584 20 30 CFEDHN C/C=C(/CC)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000588566348 773213927 /nfs/dbraw/zinc/21/39/27/773213927.db2.gz GKFZSNIZPIKKMU-ZWSORDCHSA-N 0 3 299.418 2.805 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC001267221284 773221462 /nfs/dbraw/zinc/22/14/62/773221462.db2.gz AXEBWGIXFREIJA-GOSISDBHSA-N 0 3 286.419 2.515 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)coc3C)C[C@H]21 ZINC001042037780 773229402 /nfs/dbraw/zinc/22/94/02/773229402.db2.gz BCLAOGXMZPFHNG-LSDHHAIUSA-N 0 3 288.391 2.619 20 30 CFEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001279613017 773234252 /nfs/dbraw/zinc/23/42/52/773234252.db2.gz INXNNVBDHXLUGN-HRCADAONSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1sccc1CC ZINC001267232183 773234569 /nfs/dbraw/zinc/23/45/69/773234569.db2.gz BRFMRCIHLAHTNQ-UHFFFAOYSA-N 0 3 266.410 2.548 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001267233529 773236554 /nfs/dbraw/zinc/23/65/54/773236554.db2.gz VMARONKYUNNPSH-MRXNPFEDSA-N 0 3 288.435 2.798 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001267281952 775149564 /nfs/dbraw/zinc/14/95/64/775149564.db2.gz NCJKUBASNFDFLZ-IAGOWNOFSA-N 0 3 284.403 2.723 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001267281953 775149962 /nfs/dbraw/zinc/14/99/62/775149962.db2.gz NCJKUBASNFDFLZ-IRXDYDNUSA-N 0 3 284.403 2.723 20 30 CFEDHN C#CCN(CCC)CCNC(=O)c1c(F)cccc1Cl ZINC001267319996 775199293 /nfs/dbraw/zinc/19/92/93/775199293.db2.gz WJJYOZBHZKVWLX-UHFFFAOYSA-N 0 3 296.773 2.554 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001267320815 775200594 /nfs/dbraw/zinc/20/05/94/775200594.db2.gz XIDWPVBVJIXKNO-UHFFFAOYSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C/C(C)=C/CC(=O)NCCN(CC(=C)C)C1CC1 ZINC001267331977 775212795 /nfs/dbraw/zinc/21/27/95/775212795.db2.gz YCAMTHKUBUCFSH-MKMNVTDBSA-N 0 3 262.397 2.666 20 30 CFEDHN C=CCN(CCNC(=O)Cc1coc2ccccc12)C1CC1 ZINC001267334571 775218691 /nfs/dbraw/zinc/21/86/91/775218691.db2.gz BCUJFGBTRLFXKX-UHFFFAOYSA-N 0 3 298.386 2.742 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C1(c2ccccc2C)CC1 ZINC001276985868 775229654 /nfs/dbraw/zinc/22/96/54/775229654.db2.gz KMKNMHVIOSOECK-INIZCTEOSA-N 0 3 298.430 2.793 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001224753220 775266467 /nfs/dbraw/zinc/26/64/67/775266467.db2.gz GKPXXUXHCBIYTC-CQSZACIVSA-N 0 3 278.440 2.520 20 30 CFEDHN C#CCCN[C@H](CNC(=O)C[C@@H](C)C1CC1)c1ccccc1 ZINC001267381539 775293455 /nfs/dbraw/zinc/29/34/55/775293455.db2.gz DDJSGZYKTLEIDL-CRAIPNDOSA-N 0 3 298.430 2.893 20 30 CFEDHN CCCCc1ccc(CO[C@@H]2CNC[C@@H]2C#N)cc1 ZINC001217830672 775307152 /nfs/dbraw/zinc/30/71/52/775307152.db2.gz HLIBHSRARNCMMD-JKSUJKDBSA-N 0 3 258.365 2.657 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H](CC)CCC)CC1 ZINC001224980862 775326042 /nfs/dbraw/zinc/32/60/42/775326042.db2.gz OKDKVENRYJJEDD-INIZCTEOSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001225149137 775356012 /nfs/dbraw/zinc/35/60/12/775356012.db2.gz HOPSMNSJZURNOD-MRXNPFEDSA-N 0 3 292.467 2.910 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001225174325 775360329 /nfs/dbraw/zinc/36/03/29/775360329.db2.gz LLACTNGWQIAIJP-INIZCTEOSA-N 0 3 298.430 2.642 20 30 CFEDHN C#CCCN1CC[C@H](N(CCC)C(=O)Cc2ccccc2)C1 ZINC001267466099 775363160 /nfs/dbraw/zinc/36/31/60/775363160.db2.gz MNJGBHUXJZZPJU-SFHVURJKSA-N 0 3 298.430 2.565 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)CC1(c2ccccc2)CC1 ZINC001283621283 775414144 /nfs/dbraw/zinc/41/41/44/775414144.db2.gz JSNYOSSLEFHCIR-MRXNPFEDSA-N 0 3 298.430 2.568 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038311104 775415255 /nfs/dbraw/zinc/41/52/55/775415255.db2.gz SILFPEPCHMUTBZ-LBPRGKRZSA-N 0 3 287.363 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2[nH]ccc2C)C1 ZINC001267540456 775447470 /nfs/dbraw/zinc/44/74/70/775447470.db2.gz NVUSBGQYDJDRLS-OAHLLOKOSA-N 0 3 289.423 2.826 20 30 CFEDHN Cc1cc(-n2nc(CN)c3ccccc32)ccc1CC#N ZINC001167697893 775526598 /nfs/dbraw/zinc/52/65/98/775526598.db2.gz GXZFXVCZKOOBCG-UHFFFAOYSA-N 0 3 276.343 2.859 20 30 CFEDHN CC#CCCCC(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001267588518 775529451 /nfs/dbraw/zinc/52/94/51/775529451.db2.gz VYZUBJCPHIAANK-YYRKOSNBSA-N 0 3 296.842 2.713 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001025190037 775561714 /nfs/dbraw/zinc/56/17/14/775561714.db2.gz UZXAUZVLOAFYGK-IAGOWNOFSA-N 0 3 288.435 2.655 20 30 CFEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025190003 775563098 /nfs/dbraw/zinc/56/30/98/775563098.db2.gz UPNINQRPAURURH-QWHCGFSZSA-N 0 3 286.366 2.673 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025215738 775571770 /nfs/dbraw/zinc/57/17/70/775571770.db2.gz CGKNHZOFQSBNCR-KZIQZQBPSA-N 0 3 288.435 2.821 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025268424 775583815 /nfs/dbraw/zinc/58/38/15/775583815.db2.gz YPQPTRCCEJXWNT-JKSUJKDBSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025268421 775583851 /nfs/dbraw/zinc/58/38/51/775583851.db2.gz YPQPTRCCEJXWNT-CVEARBPZSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025268423 775583896 /nfs/dbraw/zinc/58/38/96/775583896.db2.gz YPQPTRCCEJXWNT-HZPDHXFCSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cccc2ccccc21 ZINC000328037640 775701015 /nfs/dbraw/zinc/70/10/15/775701015.db2.gz WQGUIBFIUUWBEB-UHFFFAOYSA-N 0 3 295.386 2.916 20 30 CFEDHN N#Cc1ccc(C2CC2)nc1OC1CCN(C2CC2)CC1 ZINC001226262969 775760330 /nfs/dbraw/zinc/76/03/30/775760330.db2.gz XZZGWRHTFZGOGO-UHFFFAOYSA-N 0 3 283.375 2.836 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc3cccc(O)c3n2)C1 ZINC001141022185 775781691 /nfs/dbraw/zinc/78/16/91/775781691.db2.gz PIAJIOHTBHPIGB-CYBMUJFWSA-N 0 3 266.344 2.786 20 30 CFEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C ZINC001267710880 775799518 /nfs/dbraw/zinc/79/95/18/775799518.db2.gz CAOWXEHCRBEFMI-FXUDXRNXSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(=C)C1 ZINC001267712812 775802012 /nfs/dbraw/zinc/80/20/12/775802012.db2.gz VSJPXHNPTDRDRF-JYJNAYRXSA-N 0 3 288.435 2.983 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001267722663 775813271 /nfs/dbraw/zinc/81/32/71/775813271.db2.gz LWVUEPOBGUAVCL-SFHVURJKSA-N 0 3 298.430 2.797 20 30 CFEDHN CCN1CC[C@H](Oc2nc3ccccc3c(C)c2C#N)C1 ZINC001226444587 775824653 /nfs/dbraw/zinc/82/46/53/775824653.db2.gz LJUBBZDTCUYJQW-ZDUSSCGKSA-N 0 3 281.359 2.888 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001226474398 775838296 /nfs/dbraw/zinc/83/82/96/775838296.db2.gz LFOVHNBCCRSIAV-CHWSQXEVSA-N 0 3 270.392 2.575 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)CCCC2CCCCC2)C1 ZINC001267754454 775883038 /nfs/dbraw/zinc/88/30/38/775883038.db2.gz IPCFMMRCBWBIRS-QGZVFWFLSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001267772057 775908258 /nfs/dbraw/zinc/90/82/58/775908258.db2.gz SCSWWWVDIANOKZ-NEPJUHHUSA-N 0 3 292.345 2.684 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001267776604 775918317 /nfs/dbraw/zinc/91/83/17/775918317.db2.gz LNNSPUVPAMXMQY-CABCVRRESA-N 0 3 290.407 2.882 20 30 CFEDHN C=CCCC(=O)N(CC)[C@H]1CCN(CC=C(C)C)C1 ZINC001267781893 775926966 /nfs/dbraw/zinc/92/69/66/775926966.db2.gz OLTLLBIRVIVXLM-HNNXBMFYSA-N 0 3 264.413 2.842 20 30 CFEDHN C/C=C(\C)C(=O)NC[C@@H](CC)NCc1ccc(C#N)s1 ZINC001267798921 775940795 /nfs/dbraw/zinc/94/07/95/775940795.db2.gz ABNVVECAOJNDBA-KBVBDRTLSA-N 0 3 291.420 2.570 20 30 CFEDHN C=CCCCN1CCC[C@@H](NC(=O)c2occc2C)C1 ZINC001267910334 776033389 /nfs/dbraw/zinc/03/33/89/776033389.db2.gz WCJXFNFTBKULQB-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN CC(=O)c1cc(C#N)ccc1O[C@@H]1CCCN(C)CC1 ZINC001226966037 776037349 /nfs/dbraw/zinc/03/73/49/776037349.db2.gz FRUVYDQRTLLNPD-CQSZACIVSA-N 0 3 272.348 2.624 20 30 CFEDHN CC[C@@H](C)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026695052 776129843 /nfs/dbraw/zinc/12/98/43/776129843.db2.gz KMXHQZXWKKXLKX-HUUCEWRRSA-N 0 3 299.418 2.542 20 30 CFEDHN CCCCCCCCN1CC2(C[C@@H]2C(=O)N(C)C)C1 ZINC001277232201 776261453 /nfs/dbraw/zinc/26/14/53/776261453.db2.gz WKIWKHXMRWMRLD-CQSZACIVSA-N 0 3 266.429 2.757 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc3occc3c2)C1 ZINC001027423341 776317174 /nfs/dbraw/zinc/31/71/74/776317174.db2.gz WXHLBCHPQYXUFQ-INIZCTEOSA-N 0 3 296.370 2.602 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001027460534 776326562 /nfs/dbraw/zinc/32/65/62/776326562.db2.gz KGQIHXIUAQTIEK-DLBZAZTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCc1ccc(O[C@H]2CCCN(C)C2)c(OC)c1 ZINC001227926748 776331944 /nfs/dbraw/zinc/33/19/44/776331944.db2.gz KFVGHQGPNJNBQG-AWEZNQCLSA-N 0 3 261.365 2.897 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001027509500 776340794 /nfs/dbraw/zinc/34/07/94/776340794.db2.gz CHVUZMKNBYOZGO-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001027603583 776377144 /nfs/dbraw/zinc/37/71/44/776377144.db2.gz LVYKDQQXOFPVFS-RDJZCZTQSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC001027671382 776403867 /nfs/dbraw/zinc/40/38/67/776403867.db2.gz URZBGOWRBJBDBR-FUHWJXTLSA-N 0 3 298.430 2.736 20 30 CFEDHN Cc1ccnc(O[C@H]2CCCN(C(C)C)C2)c1C#N ZINC001228305119 776452454 /nfs/dbraw/zinc/45/24/54/776452454.db2.gz LZPPUAHXRCPSGE-ZDUSSCGKSA-N 0 3 259.353 2.513 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811510 776459594 /nfs/dbraw/zinc/45/95/94/776459594.db2.gz IMDAKQBDYAIINZ-CYBMUJFWSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001027851362 776478168 /nfs/dbraw/zinc/47/81/68/776478168.db2.gz LZLQQRRDZHNCKB-NSHDSACASA-N 0 3 282.771 2.703 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027904493 776502310 /nfs/dbraw/zinc/50/23/10/776502310.db2.gz UUGRLYVDRRVRDA-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001027962136 776530271 /nfs/dbraw/zinc/53/02/71/776530271.db2.gz MHPCJYTYQFKDOJ-CYBMUJFWSA-N 0 3 293.436 2.530 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001028004038 776551190 /nfs/dbraw/zinc/55/11/90/776551190.db2.gz NHDXTIWKGQVUBG-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001028040217 776567080 /nfs/dbraw/zinc/56/70/80/776567080.db2.gz ZYJNYYUJVAGIST-ZDUSSCGKSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028046049 776570534 /nfs/dbraw/zinc/57/05/34/776570534.db2.gz XGKWJKJCCTYSBQ-VVLHAWIVSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001028110351 776631544 /nfs/dbraw/zinc/63/15/44/776631544.db2.gz CQQKYHATRFGKEA-HNNXBMFYSA-N 0 3 283.375 2.548 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2C#N)C1 ZINC001228926213 776659175 /nfs/dbraw/zinc/65/91/75/776659175.db2.gz HXYRFRNZQCFRDV-CQSZACIVSA-N 0 3 289.335 2.718 20 30 CFEDHN CN1CCc2cc(O[C@@H]3CC[C@@H](C#N)C3)ccc2C1 ZINC001228937064 776663029 /nfs/dbraw/zinc/66/30/29/776663029.db2.gz VCWRZRDHTWKCFN-IUODEOHRSA-N 0 3 256.349 2.746 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001028178343 776682400 /nfs/dbraw/zinc/68/24/00/776682400.db2.gz PKMQWYRYALJYHJ-QGZVFWFLSA-N 0 3 297.402 2.710 20 30 CFEDHN Cc1ccc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)cc1C#N ZINC001139729366 776683960 /nfs/dbraw/zinc/68/39/60/776683960.db2.gz XZKQKURHERJWQX-ZBFHGGJFSA-N 0 3 268.360 2.668 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001028192128 776694132 /nfs/dbraw/zinc/69/41/32/776694132.db2.gz CZLWDCFSECWBNE-HRCADAONSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197823 776699462 /nfs/dbraw/zinc/69/94/62/776699462.db2.gz RHMFZUMWCNSUOK-BPQIPLTHSA-N 0 3 298.430 2.865 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001028202584 776707062 /nfs/dbraw/zinc/70/70/62/776707062.db2.gz DXSCCCADIUQBQH-AWEZNQCLSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C(C)CCC(=O)NC[C@H](NCc1cnoc1C)C(C)C ZINC001268214187 776708352 /nfs/dbraw/zinc/70/83/52/776708352.db2.gz SKENVKVDJSPGCW-HNNXBMFYSA-N 0 3 293.411 2.570 20 30 CFEDHN C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C#CC1CC1 ZINC001268237563 776715426 /nfs/dbraw/zinc/71/54/26/776715426.db2.gz LNNCPUBHJCDZOA-HNNXBMFYSA-N 0 3 284.403 2.551 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC001268252899 776724252 /nfs/dbraw/zinc/72/42/52/776724252.db2.gz GKNOXULHDPPIHH-JKSUJKDBSA-N 0 3 296.455 2.548 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1cccc2ccccc21 ZINC001268256564 776727496 /nfs/dbraw/zinc/72/74/96/776727496.db2.gz PNGPWFWXISIEEK-UHFFFAOYSA-N 0 3 294.398 2.867 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270024 776776572 /nfs/dbraw/zinc/77/65/72/776776572.db2.gz CZLHMCGWMBCRHF-RBSFLKMASA-N 0 3 264.413 2.579 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001028276304 776788207 /nfs/dbraw/zinc/78/82/07/776788207.db2.gz IXYYAEDLBCCLGV-ZDUSSCGKSA-N 0 3 290.794 2.558 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001028282975 776813008 /nfs/dbraw/zinc/81/30/08/776813008.db2.gz RPUGPMYAFMANDN-GFCCVEGCSA-N 0 3 294.345 2.735 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001028303317 776849596 /nfs/dbraw/zinc/84/95/96/776849596.db2.gz DBJGMWQAFBZSFN-MRXNPFEDSA-N 0 3 286.419 2.992 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001028320239 776852452 /nfs/dbraw/zinc/85/24/52/776852452.db2.gz CJJMEWWGVKEFEE-SNVBAGLBSA-N 0 3 299.827 2.567 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001028318010 776853976 /nfs/dbraw/zinc/85/39/76/776853976.db2.gz NPNCNBFVQBKDQX-OAHLLOKOSA-N 0 3 289.423 2.839 20 30 CFEDHN CCCCCCCCCCN1CCN(C)[C@H](CO)C1 ZINC000687594191 776857044 /nfs/dbraw/zinc/85/70/44/776857044.db2.gz SQATUDZTBJVWMR-INIZCTEOSA-N 0 3 270.461 2.735 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001028342876 776862376 /nfs/dbraw/zinc/86/23/76/776862376.db2.gz MHPAEUTVCOTSFD-MRXNPFEDSA-N 0 3 290.382 2.926 20 30 CFEDHN N#CCCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000425972186 776871821 /nfs/dbraw/zinc/87/18/21/776871821.db2.gz WQPVBGZAOQMKTH-TZMCWYRMSA-N 0 3 273.336 2.809 20 30 CFEDHN CC#CCNC/C=C/CNC(=O)c1ccccc1CCC ZINC001268567022 776936959 /nfs/dbraw/zinc/93/69/59/776936959.db2.gz ZHTCTBURUADGFB-CMDGGOBGSA-N 0 3 284.403 2.538 20 30 CFEDHN CCCCCCCCCC(=O)NC1CCN(CCO)CC1 ZINC001230121501 776953890 /nfs/dbraw/zinc/95/38/90/776953890.db2.gz FOUKHYGXBUDGDD-UHFFFAOYSA-N 0 3 298.471 2.700 20 30 CFEDHN Cc1cc(Cl)c(C#N)c(O[C@H]2CCN(C(C)C)C2)n1 ZINC001230182584 776958178 /nfs/dbraw/zinc/95/81/78/776958178.db2.gz DUFKRELOYPKELF-NSHDSACASA-N 0 3 279.771 2.777 20 30 CFEDHN CC#CCNC/C=C\CNC(=O)C(C)(C)C1CCCCC1 ZINC001268598961 776994415 /nfs/dbraw/zinc/99/44/15/776994415.db2.gz GDHUSJGECUVOIP-KTKRTIGZSA-N 0 3 290.451 2.878 20 30 CFEDHN N#Cc1cncc(CN2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000721542981 776994756 /nfs/dbraw/zinc/99/47/56/776994756.db2.gz CLIXCIWAPAPPCM-CVEARBPZSA-N 0 3 255.365 2.965 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001028618480 777009193 /nfs/dbraw/zinc/00/91/93/777009193.db2.gz VAZMDLDUIWQFPR-HNNXBMFYSA-N 0 3 298.430 2.669 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CSC ZINC001230714986 777049635 /nfs/dbraw/zinc/04/96/35/777049635.db2.gz NPWAAKCEZWNQJJ-CQSZACIVSA-N 0 3 284.469 2.629 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230734401 777053467 /nfs/dbraw/zinc/05/34/67/777053467.db2.gz DHUBPDVJLCUJMS-HNNXBMFYSA-N 0 3 289.423 2.907 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230753807 777057389 /nfs/dbraw/zinc/05/73/89/777057389.db2.gz ZVDOTXDPAZYERE-AWEZNQCLSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCCCC(=O)NCC1CN(CCc2ccccc2)C1 ZINC001268867094 777067286 /nfs/dbraw/zinc/06/72/86/777067286.db2.gz GSXNZKKZMWNZHF-UHFFFAOYSA-N 0 3 286.419 2.633 20 30 CFEDHN C#CCCN1CC(CNC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001268883251 777069631 /nfs/dbraw/zinc/06/96/31/777069631.db2.gz FEPBPXHIVRQZBJ-INIZCTEOSA-N 0 3 298.430 2.642 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230822972 777070944 /nfs/dbraw/zinc/07/09/44/777070944.db2.gz DVLUHEUINAZHRZ-AWEZNQCLSA-N 0 3 284.469 2.627 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]n1 ZINC001230823182 777071301 /nfs/dbraw/zinc/07/13/01/777071301.db2.gz FWWHZDXBFGDARB-CQSZACIVSA-N 0 3 292.427 2.526 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC ZINC001230855286 777076409 /nfs/dbraw/zinc/07/64/09/777076409.db2.gz KVQXIMRSMPUIIK-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC ZINC001230855283 777076466 /nfs/dbraw/zinc/07/64/66/777076466.db2.gz KVQXIMRSMPUIIK-CVEARBPZSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CCF)CC1 ZINC001268955642 777077286 /nfs/dbraw/zinc/07/72/86/777077286.db2.gz HPWFCBABYYXRNH-KKUMJFAQSA-N 0 3 294.414 2.766 20 30 CFEDHN CCCC[C@@H](CC)CN1CCC12CN(C(=O)CCS)C2 ZINC001268959849 777079182 /nfs/dbraw/zinc/07/91/82/777079182.db2.gz NHOMLHLVTKOCPG-CQSZACIVSA-N 0 3 298.496 2.809 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001269088153 777099765 /nfs/dbraw/zinc/09/97/65/777099765.db2.gz QWXSYBKNYLXTSU-NSHDSACASA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCCCN1CC[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001269221798 777142967 /nfs/dbraw/zinc/14/29/67/777142967.db2.gz PDQCICUINLAZJE-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001231121216 777148663 /nfs/dbraw/zinc/14/86/63/777148663.db2.gz ATRSLGCQRQDKLZ-QGZVFWFLSA-N 0 3 286.419 2.728 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001269249171 777150242 /nfs/dbraw/zinc/15/02/42/777150242.db2.gz QEYIFJGCRXQIPS-STQMWFEESA-N 0 3 288.382 2.825 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)/C=C/c2ccco2)C1 ZINC001269307855 777166030 /nfs/dbraw/zinc/16/60/30/777166030.db2.gz YDSOHPUWEVDORQ-MVGZEHJDSA-N 0 3 288.391 2.792 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001269348322 777175248 /nfs/dbraw/zinc/17/52/48/777175248.db2.gz JPTTYWALYFRTPN-LSDHHAIUSA-N 0 3 290.407 2.882 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231234234 777175612 /nfs/dbraw/zinc/17/56/12/777175612.db2.gz QAMFDNKNKMYLMB-HOTGVXAUSA-N 0 3 298.471 2.772 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)COC ZINC001231234236 777176061 /nfs/dbraw/zinc/17/60/61/777176061.db2.gz QAMFDNKNKMYLMB-JKSUJKDBSA-N 0 3 298.471 2.772 20 30 CFEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCC1=CCCCC1 ZINC001231292703 777185880 /nfs/dbraw/zinc/18/58/80/777185880.db2.gz FFLPIZXXJWFOGU-HOCLYGCPSA-N 0 3 289.423 2.569 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C#N ZINC001231293313 777186410 /nfs/dbraw/zinc/18/64/10/777186410.db2.gz LPUJPPKNFRYUFA-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN C=CC(C)(C)CC(=O)NCC1(NC[C@H](F)CC)CC1 ZINC001269420427 777188324 /nfs/dbraw/zinc/18/83/24/777188324.db2.gz WQVHNJKPUQVCRG-GFCCVEGCSA-N 0 3 270.392 2.575 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231313102 777189624 /nfs/dbraw/zinc/18/96/24/777189624.db2.gz VLJNHYHKQASBDL-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN N#Cc1ccc2ccc(O[C@@H]3CN4CCC3CC4)nc2c1 ZINC001231371180 777203583 /nfs/dbraw/zinc/20/35/83/777203583.db2.gz SVSRYNDUYMMZQO-MRXNPFEDSA-N 0 3 279.343 2.579 20 30 CFEDHN CC#CCN1CCC2(CCN(C(=O)CCCCC)C2)CC1 ZINC001269699189 777233669 /nfs/dbraw/zinc/23/36/69/777233669.db2.gz ARBIOZFNNPBJRO-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN C=C1CCC(C(=O)NC[C@@H]2CCN(C[C@@H](F)CC)C2)CC1 ZINC001028781253 777244054 /nfs/dbraw/zinc/24/40/54/777244054.db2.gz SOMNRUPDVXFDRE-HOCLYGCPSA-N 0 3 296.430 2.919 20 30 CFEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001277537554 777264596 /nfs/dbraw/zinc/26/45/96/777264596.db2.gz GZLXUQUHBPHWGP-AEFFLSMTSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001028926513 777325723 /nfs/dbraw/zinc/32/57/23/777325723.db2.gz OBVBABBITAYWRR-OAHLLOKOSA-N 0 3 296.414 2.639 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)CC2CC(C)(C)C2)C1 ZINC001270624107 777426879 /nfs/dbraw/zinc/42/68/79/777426879.db2.gz OACDJMDMWRACEW-KRWDZBQOSA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C#N)c(Cl)c1 ZINC001232112967 777443749 /nfs/dbraw/zinc/44/37/49/777443749.db2.gz NUEYWZDDOIGDNU-NWDGAFQWSA-N 0 3 277.799 2.736 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)SC)C(C)(C)C1 ZINC001281547027 777487939 /nfs/dbraw/zinc/48/79/39/777487939.db2.gz PFRROAKFFCQVEJ-OLZOCXBDSA-N 0 3 284.469 2.531 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087489928 777500508 /nfs/dbraw/zinc/50/05/08/777500508.db2.gz WYEVKXRSMJFZAR-JKSUJKDBSA-N 0 3 276.424 2.559 20 30 CFEDHN C=CCCC(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001270867518 777551586 /nfs/dbraw/zinc/55/15/86/777551586.db2.gz WHJZSVZIESWWBG-WEVVVXLNSA-N 0 3 284.831 2.923 20 30 CFEDHN COc1ccccc1[C@H]1CCN(Cc2cc(C#N)ccn2)C1 ZINC001232474744 777575148 /nfs/dbraw/zinc/57/51/48/777575148.db2.gz ISQHSDFRSNOHIM-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cnc(C)s1 ZINC001270975764 777618711 /nfs/dbraw/zinc/61/87/11/777618711.db2.gz IBBWDSWAJMEVAF-GFCCVEGCSA-N 0 3 295.452 2.744 20 30 CFEDHN CC#CCN1CCC[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001270991279 777622259 /nfs/dbraw/zinc/62/22/59/777622259.db2.gz MVOLTESNFJMWNU-QGZVFWFLSA-N 0 3 278.440 2.664 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1CC ZINC001087696284 777682685 /nfs/dbraw/zinc/68/26/85/777682685.db2.gz PAHCWKNFOCDFAG-JKSUJKDBSA-N 0 3 289.423 2.585 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(C#N)s2)CC[C@]1(C)O ZINC001232842177 777684548 /nfs/dbraw/zinc/68/45/48/777684548.db2.gz NERWCBSQPHESKR-FZMZJTMJSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@]1(CO)CCCN(Cc2ccc(C#N)s2)CC1 ZINC001232842202 777690455 /nfs/dbraw/zinc/69/04/55/777690455.db2.gz NZIFGKLCGDQPES-AWEZNQCLSA-N 0 3 264.394 2.604 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1CC ZINC001087815999 777705077 /nfs/dbraw/zinc/70/50/77/777705077.db2.gz OIJUZSRWHUDINI-LSDHHAIUSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H]1CC ZINC001087820110 777707470 /nfs/dbraw/zinc/70/74/70/777707470.db2.gz KZPOTJPIGIBYGO-JKSUJKDBSA-N 0 3 290.382 2.523 20 30 CFEDHN Cc1cc(O)cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001232885470 777707525 /nfs/dbraw/zinc/70/75/25/777707525.db2.gz IVFGFCRGJYLDEH-XMQYKBBCSA-N 0 3 256.349 2.967 20 30 CFEDHN CCN1CCN(Cc2cc(F)ccc2C#N)C(C)(C)C1 ZINC001232892537 777708915 /nfs/dbraw/zinc/70/89/15/777708915.db2.gz OQFHJDTYMMRWIY-UHFFFAOYSA-N 0 3 275.371 2.613 20 30 CFEDHN Cc1ccc(CN2CCN(C3CCC3)CC2)c(C#N)c1 ZINC001232962929 777740455 /nfs/dbraw/zinc/74/04/55/777740455.db2.gz UQCWZHBZAOYMGW-UHFFFAOYSA-N 0 3 269.392 2.537 20 30 CFEDHN Cc1ccc(CN2CCN3CCCC[C@H]3C2)c(C#N)c1 ZINC001232966538 777742717 /nfs/dbraw/zinc/74/27/17/777742717.db2.gz PPXOHQORWCBTBA-KRWDZBQOSA-N 0 3 269.392 2.537 20 30 CFEDHN COC(=O)CC[C@H]1CCN(Cc2ccc(C)cc2C#N)C1 ZINC001232967165 777743431 /nfs/dbraw/zinc/74/34/31/777743431.db2.gz FWAYQAINARNBOX-AWEZNQCLSA-N 0 3 286.375 2.642 20 30 CFEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c2cc(F)ccc21 ZINC001233123073 777801545 /nfs/dbraw/zinc/80/15/45/777801545.db2.gz HLHHZROMLMUOHV-UOJUARBOSA-N 0 3 284.338 2.969 20 30 CFEDHN COCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001233282018 777862922 /nfs/dbraw/zinc/86/29/22/777862922.db2.gz ZGTIYCDJDOBYPF-AWEZNQCLSA-N 0 3 274.364 2.795 20 30 CFEDHN COC(=O)/C=C/c1ccc(CN2CCC(C#N)CC2)cc1 ZINC001233296600 777872073 /nfs/dbraw/zinc/87/20/73/777872073.db2.gz SYSPKZNHWUZDRB-VOTSOKGWSA-N 0 3 284.359 2.608 20 30 CFEDHN COC(=O)/C=C/c1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC001233299175 777874241 /nfs/dbraw/zinc/87/42/41/777874241.db2.gz NVOFOGREEKLCBX-ROJDOSBLSA-N 0 3 298.386 2.998 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2CC2)C1 ZINC001088246237 777915536 /nfs/dbraw/zinc/91/55/36/777915536.db2.gz ODPLJTPPLUVKMN-CYBMUJFWSA-N 0 3 270.804 2.510 20 30 CFEDHN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2)c([O-])c1 ZINC001233386021 777928088 /nfs/dbraw/zinc/92/80/88/777928088.db2.gz BUMSGTMQHTYSHF-KRWDZBQOSA-N 0 3 299.418 2.714 20 30 CFEDHN N#Cc1ccc(C[N@H+]2CCCC[C@H]2CN2CCCC2)c([O-])c1 ZINC001233386021 777928097 /nfs/dbraw/zinc/92/80/97/777928097.db2.gz BUMSGTMQHTYSHF-KRWDZBQOSA-N 0 3 299.418 2.714 20 30 CFEDHN CC#CCNCCN(Cc1ccccc1)C(=O)CC1CCC1 ZINC001271797847 777976397 /nfs/dbraw/zinc/97/63/97/777976397.db2.gz SFXXSICKEAYPBC-UHFFFAOYSA-N 0 3 298.430 2.818 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001233530490 777979572 /nfs/dbraw/zinc/97/95/72/777979572.db2.gz UJUUNYVGJOCGJW-CYBMUJFWSA-N 0 3 286.366 2.531 20 30 CFEDHN CN1CCC(Oc2c(Cl)cccc2C#N)CC1 ZINC001233547523 777984288 /nfs/dbraw/zinc/98/42/88/777984288.db2.gz LSXXCJMEONWTLU-UHFFFAOYSA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCN1C[C@@H]2CN(C(=O)CCCC[C@@H](C)CC)C[C@@H]2C1 ZINC001271859946 778004210 /nfs/dbraw/zinc/00/42/10/778004210.db2.gz FHFLYLYITWQULU-YESZJQIVSA-N 0 3 290.451 2.616 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654935 778026323 /nfs/dbraw/zinc/02/63/23/778026323.db2.gz UQKBVXIPNFXUNH-ZDUSSCGKSA-N 0 3 268.376 2.749 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C=C(CC)CC ZINC001233654985 778026998 /nfs/dbraw/zinc/02/69/98/778026998.db2.gz VHOPTWYXEURRHP-OAHLLOKOSA-N 0 3 264.413 2.842 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088374409 778036412 /nfs/dbraw/zinc/03/64/12/778036412.db2.gz GQYQSKOZCKYPAK-GDBMZVCRSA-N 0 3 284.419 2.919 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC001088452220 778119852 /nfs/dbraw/zinc/11/98/52/778119852.db2.gz APFIPWBNQCPLEN-ZBFHGGJFSA-N 0 3 272.392 2.764 20 30 CFEDHN COCCN1CCC(Oc2ccc3cc(C#N)[nH]c3c2)CC1 ZINC001233997584 778134281 /nfs/dbraw/zinc/13/42/81/778134281.db2.gz YDKGBFTZTJSMFU-UHFFFAOYSA-N 0 3 299.374 2.529 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C(C)(C)C1CCCC1 ZINC001272033988 778187795 /nfs/dbraw/zinc/18/77/95/778187795.db2.gz ZBCYRKKOXLBTLV-UHFFFAOYSA-N 0 3 278.440 2.616 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)C[C@H]1CCN1CCC ZINC001234276658 778199781 /nfs/dbraw/zinc/19/97/81/778199781.db2.gz SNWHZLZOSLRWBU-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN COc1cc(/C=C\C(C)=O)ccc1O[C@H]1CCCN(C)C1 ZINC001234336135 778210881 /nfs/dbraw/zinc/21/08/81/778210881.db2.gz PDNSKAMYVMJXJW-XHPSBEMXSA-N 0 3 289.375 2.770 20 30 CFEDHN COc1cc(/C=C/C(C)=O)ccc1O[C@@H]1CCCN(C)C1 ZINC001234336134 778210942 /nfs/dbraw/zinc/21/09/42/778210942.db2.gz PDNSKAMYVMJXJW-LQYUOIDQSA-N 0 3 289.375 2.770 20 30 CFEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001272042658 778216318 /nfs/dbraw/zinc/21/63/18/778216318.db2.gz HYVXKRKJHISTIL-CABCVRRESA-N 0 3 276.424 2.840 20 30 CFEDHN C#C[C@@H]1CCC[C@H]1Oc1cccc2c1CCN(C)C2 ZINC001234422679 778223363 /nfs/dbraw/zinc/22/33/63/778223363.db2.gz IVRULGCTLWSTDC-CZUORRHYSA-N 0 3 255.361 2.855 20 30 CFEDHN C[N+](C)(C)C[C@@H](CC#N)Oc1c([O-])cc(Cl)cc1F ZINC001234448502 778229103 /nfs/dbraw/zinc/22/91/03/778229103.db2.gz SSIFMDCUGNYXMZ-SNVBAGLBSA-O 0 3 287.742 2.552 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001234510073 778239663 /nfs/dbraw/zinc/23/96/63/778239663.db2.gz UGCXYGSXRHBXSU-HNNXBMFYSA-N 0 3 264.413 2.696 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234553987 778250415 /nfs/dbraw/zinc/25/04/15/778250415.db2.gz CANQAKMLCFHYFP-CYBMUJFWSA-N 0 3 284.831 2.874 20 30 CFEDHN CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127655731 778342267 /nfs/dbraw/zinc/34/22/67/778342267.db2.gz ZDFDYHGBKNVJLB-ZDUSSCGKSA-N 0 3 258.321 2.833 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1C ZINC001088628363 778371072 /nfs/dbraw/zinc/37/10/72/778371072.db2.gz PBDCXDDHVQZDQR-CVEARBPZSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCC(=C)C)CCC1 ZINC001235210696 778416591 /nfs/dbraw/zinc/41/65/91/778416591.db2.gz VAVWQMRSULJKNP-INIZCTEOSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC000989628691 778421005 /nfs/dbraw/zinc/42/10/05/778421005.db2.gz JQSMNBNTTZCSDS-WFASDCNBSA-N 0 3 298.411 2.727 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235227391 778422185 /nfs/dbraw/zinc/42/21/85/778422185.db2.gz UBZUDIFAUXCASX-OLZOCXBDSA-N 0 3 288.382 2.777 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](OCC)C(C)C ZINC001235279633 778441546 /nfs/dbraw/zinc/44/15/46/778441546.db2.gz FHQSGCWYHUPEJS-CVEARBPZSA-N 0 3 296.455 2.546 20 30 CFEDHN Nc1ccc(N=C(NO)c2ccccc2N)cc1Cl ZINC001212118969 778448617 /nfs/dbraw/zinc/44/86/17/778448617.db2.gz IECWZUDDCWNKPL-UHFFFAOYSA-N 0 3 276.727 2.562 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1C ZINC001088710589 778448749 /nfs/dbraw/zinc/44/87/49/778448749.db2.gz WQVBNVMTWASOPT-CJNGLKHVSA-N 0 3 299.418 2.728 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cn(C)c3ccccc23)[C@H]1C ZINC001088712925 778451728 /nfs/dbraw/zinc/45/17/28/778451728.db2.gz NGIADOHGVDKAKI-CJNGLKHVSA-N 0 3 297.402 2.557 20 30 CFEDHN CCCCCCCCCCN1C[C@H]2CNC[C@@H](C1)O2 ZINC001235339686 778460422 /nfs/dbraw/zinc/46/04/22/778460422.db2.gz YFXLTSRFBHJWOK-IYBDPMFKSA-N 0 3 268.445 2.800 20 30 CFEDHN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1)C2 ZINC001098248624 778461659 /nfs/dbraw/zinc/46/16/59/778461659.db2.gz RKXDURRXDTYJFV-DDBAPUKQSA-N 0 3 296.414 2.535 20 30 CFEDHN C#CC1CCN(Cc2cc(O)cc(OCC)c2)CC1 ZINC001235402418 778476387 /nfs/dbraw/zinc/47/63/87/778476387.db2.gz RBSDOCGJCHZQFI-UHFFFAOYSA-N 0 3 259.349 2.636 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764242 778481945 /nfs/dbraw/zinc/48/19/45/778481945.db2.gz ROSZCKAVXPFDRW-MTSZKFMLSA-N 0 3 290.451 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ncccc32)[C@H]1C ZINC001088781645 778489369 /nfs/dbraw/zinc/48/93/69/778489369.db2.gz YSBMKULPNQMKKO-CJNGLKHVSA-N 0 3 295.386 2.613 20 30 CFEDHN C=CCCCCCCCCCN1CCN[C@@H](C(=O)OC)C1 ZINC001235440364 778490628 /nfs/dbraw/zinc/49/06/28/778490628.db2.gz BMSILYGFZHTGOE-MRXNPFEDSA-N 0 3 296.455 2.740 20 30 CFEDHN C=CCCC(=O)NCCCN(C)Cc1ccc(C)nc1C ZINC001235435947 778490912 /nfs/dbraw/zinc/49/09/12/778490912.db2.gz CDEHJHXCFQJZLQ-UHFFFAOYSA-N 0 3 289.423 2.603 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801449 778501394 /nfs/dbraw/zinc/50/13/94/778501394.db2.gz CIPJLYPKRFVRQS-ILXRZTDVSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1C ZINC001088803417 778504508 /nfs/dbraw/zinc/50/45/08/778504508.db2.gz IOSMWNROGMMQML-MCIONIFRSA-N 0 3 264.413 2.578 20 30 CFEDHN O=C1C=C2CN(Cc3cncc(F)c3Cl)CCC2S1 ZINC001235497393 778504750 /nfs/dbraw/zinc/50/47/50/778504750.db2.gz HYNXFQBKHBWDBL-NSHDSACASA-N 0 3 298.770 2.648 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001235517165 778509928 /nfs/dbraw/zinc/50/99/28/778509928.db2.gz XGKRXQQWZHSJGM-WBVHZDCISA-N 0 3 270.376 2.754 20 30 CFEDHN Cc1ncn(C)c1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001235542151 778515278 /nfs/dbraw/zinc/51/52/78/778515278.db2.gz GKNPIOLSTRSQTO-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1C ZINC001088821038 778533642 /nfs/dbraw/zinc/53/36/42/778533642.db2.gz XTERKDPOUNXHMX-DOMZBBRYSA-N 0 3 288.391 2.926 20 30 CFEDHN N#Cc1ccc(CN2CCN[C@H](c3ccccc3)C2)cc1F ZINC001235856170 778582001 /nfs/dbraw/zinc/58/20/01/778582001.db2.gz VLGKBFABIWVVOQ-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001076483755 778591260 /nfs/dbraw/zinc/59/12/60/778591260.db2.gz PVDQSRAUBAHGBM-LUKYLMHMSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001076482449 778591717 /nfs/dbraw/zinc/59/17/17/778591717.db2.gz LEXOSYDBTGLMFO-YHUYYLMFSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@H]1C ZINC001088833983 778596803 /nfs/dbraw/zinc/59/68/03/778596803.db2.gz SNEARIRYKADXQU-WBVHZDCISA-N 0 3 286.419 2.611 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4c3CCC4)[C@@H]2C1 ZINC001076627199 778599074 /nfs/dbraw/zinc/59/90/74/778599074.db2.gz YMAQMWPGCDKZQV-MAUKXSAKSA-N 0 3 296.414 2.508 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232117016 778900337 /nfs/dbraw/zinc/90/03/37/778900337.db2.gz UBBSNFZVXGHMOV-AWEZNQCLSA-N 0 3 278.783 2.947 20 30 CFEDHN N#Cc1ccc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c([O-])c1 ZINC001236654639 778904818 /nfs/dbraw/zinc/90/48/18/778904818.db2.gz QORVDLUVGMENFZ-KRWDZBQOSA-N 0 3 299.418 2.760 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC001089030513 778978922 /nfs/dbraw/zinc/97/89/22/778978922.db2.gz INWJIJYILVJXFX-WBVHZDCISA-N 0 3 286.419 2.693 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1C ZINC001089055497 778982717 /nfs/dbraw/zinc/98/27/17/778982717.db2.gz NVYVMMKOLBYDAQ-NUJGCVRESA-N 0 3 298.430 2.701 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC001089054968 778982834 /nfs/dbraw/zinc/98/28/34/778982834.db2.gz ORQABWDOSJRTSF-CTMQZQKCSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)[C@@H](CC)CC(F)F)CC1 ZINC001278057954 779026885 /nfs/dbraw/zinc/02/68/85/779026885.db2.gz ZVRNXTJWHYLCTI-LBPRGKRZSA-N 0 3 288.382 2.825 20 30 CFEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)C1CC1 ZINC000130106452 779033508 /nfs/dbraw/zinc/03/35/08/779033508.db2.gz UGVFOMNZDXXVQN-VIFPVBQESA-N 0 3 280.686 2.536 20 30 CFEDHN C=CCN(Cc1ccc(C(=O)OC)nc1)C(C)(C)C ZINC001237441141 779108392 /nfs/dbraw/zinc/10/83/92/779108392.db2.gz MJQQNXTZGRGIBA-UHFFFAOYSA-N 0 3 262.353 2.655 20 30 CFEDHN Cn1cc(CN2CCC3(CCO3)CC2)c2cc(C#N)ccc21 ZINC001237470323 779115928 /nfs/dbraw/zinc/11/59/28/779115928.db2.gz BHOPEXQQDRMJRD-UHFFFAOYSA-N 0 3 295.386 2.805 20 30 CFEDHN COC(=O)Cc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001237479507 779116697 /nfs/dbraw/zinc/11/66/97/779116697.db2.gz CQYZRCCZRIAKOQ-AWEZNQCLSA-N 0 3 286.375 2.528 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001121883709 779123188 /nfs/dbraw/zinc/12/31/88/779123188.db2.gz UTXYXUPEEOSQAS-SOUVJXGZSA-N 0 3 296.455 2.628 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCC(OC2CCCC2)CC1 ZINC001121944489 779140055 /nfs/dbraw/zinc/14/00/55/779140055.db2.gz PXSQXGLDAIKPMD-MRXNPFEDSA-N 0 3 294.439 2.620 20 30 CFEDHN COc1c(C)cnc(CN2CCC(S)CC2)c1C ZINC001238174481 779269156 /nfs/dbraw/zinc/26/91/56/779269156.db2.gz CLPCORAXNRCRSZ-UHFFFAOYSA-N 0 3 266.410 2.601 20 30 CFEDHN N#CC(C(=O)CCCc1cccnc1)c1cccc(F)n1 ZINC001122654717 779282880 /nfs/dbraw/zinc/28/28/80/779282880.db2.gz ACTVRWOJVYRCIT-ZDUSSCGKSA-N 0 3 283.306 2.815 20 30 CFEDHN C=CCCC(=O)NCCCN(C)Cc1sc(C)nc1C ZINC001235481445 779358318 /nfs/dbraw/zinc/35/83/18/779358318.db2.gz ZKWBNDRNIMUDRB-UHFFFAOYSA-N 0 3 295.452 2.664 20 30 CFEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)CCCC)[C@H](OC)C1 ZINC001212211584 779383362 /nfs/dbraw/zinc/38/33/62/779383362.db2.gz VLEMWCUSRANJQK-BZUAXINKSA-N 0 3 296.455 2.594 20 30 CFEDHN CCc1cc(CN2CCN(CC3CC3)CC2)ccc1C#N ZINC001238775986 779389645 /nfs/dbraw/zinc/38/96/45/779389645.db2.gz QHGDPILACYFZAY-UHFFFAOYSA-N 0 3 283.419 2.648 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464916 779489600 /nfs/dbraw/zinc/48/96/00/779489600.db2.gz MBECZAMRANYPSI-GJZGRUSLSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCCOC(=O)NC[C@@H]1CCNC[C@H]1F ZINC001239320691 779513387 /nfs/dbraw/zinc/51/33/87/779513387.db2.gz VLKADNSFIZLSSO-QWHCGFSZSA-N 0 3 274.380 2.631 20 30 CFEDHN CCCCCCCCNC(=S)N[C@H]1CCNC[C@@H]1F ZINC001239353265 779532542 /nfs/dbraw/zinc/53/25/42/779532542.db2.gz GAHPXTINCYLYLV-STQMWFEESA-N 0 3 289.464 2.511 20 30 CFEDHN CC(=O)NC[C@H]1CCC(C)(C)CN1Cc1ccc(C#N)cc1 ZINC001089598391 779535633 /nfs/dbraw/zinc/53/56/33/779535633.db2.gz DZCKUHXSOKFVRZ-QGZVFWFLSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001089672599 779560417 /nfs/dbraw/zinc/56/04/17/779560417.db2.gz MUZCBFLRRCWNHB-RVKKMQEKSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001089705515 779573159 /nfs/dbraw/zinc/57/31/59/779573159.db2.gz GJBACPUIHSFSSX-GJZGRUSLSA-N 0 3 290.451 2.969 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)C(C)(F)F)cc1 ZINC001272683313 779598697 /nfs/dbraw/zinc/59/86/97/779598697.db2.gz PMEQDEHRCWMDNC-LBPRGKRZSA-N 0 3 294.345 2.632 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(Cl)cc1 ZINC000130908463 779628514 /nfs/dbraw/zinc/62/85/14/779628514.db2.gz NSEYRMWBGIYIHL-CYBMUJFWSA-N 0 3 292.766 2.506 20 30 CFEDHN C#CCN[C@H](C)c1ccc(CNC(=O)C2(C)CC=CC2)cc1 ZINC001272702114 779673964 /nfs/dbraw/zinc/67/39/64/779673964.db2.gz ZEPHVUNSLDELEQ-OAHLLOKOSA-N 0 3 296.414 2.943 20 30 CFEDHN N#Cc1ccc(CNCCNC(=O)CC2=CCCCC2)cc1 ZINC001124810290 779723120 /nfs/dbraw/zinc/72/31/20/779723120.db2.gz MZEJBUSLKFRDPO-UHFFFAOYSA-N 0 3 297.402 2.655 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc(Cl)c(C#N)c1 ZINC001238198479 779762052 /nfs/dbraw/zinc/76/20/52/779762052.db2.gz KTKADQLFGBBNFU-AWEZNQCLSA-N 0 3 278.783 2.947 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC=CCC1 ZINC001032274627 779804196 /nfs/dbraw/zinc/80/41/96/779804196.db2.gz IYIVIOPFSNTXCR-PMPSAXMXSA-N 0 3 274.408 2.594 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107420924 779844852 /nfs/dbraw/zinc/84/48/52/779844852.db2.gz POCDTKIBRLIRJJ-RHSMWYFYSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107702069 779883848 /nfs/dbraw/zinc/88/38/48/779883848.db2.gz ITRJLHOOYXTZMZ-WBVHZDCISA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001107709645 779885756 /nfs/dbraw/zinc/88/57/56/779885756.db2.gz GSPARIZDQMWZIX-RDJZCZTQSA-N 0 3 294.439 2.514 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032422726 779951160 /nfs/dbraw/zinc/95/11/60/779951160.db2.gz INFOFJZRMZXRSZ-KBPBESRZSA-N 0 3 296.842 2.850 20 30 CFEDHN CN(C)Cc1cccc(-c2ccc(C#N)c(F)c2)n1 ZINC001240149857 779972035 /nfs/dbraw/zinc/97/20/35/779972035.db2.gz JYUMLNHILDNXHQ-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032557509 780030126 /nfs/dbraw/zinc/03/01/26/780030126.db2.gz KEFIHHMEZQBTRO-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC1(F)F ZINC001032586923 780053904 /nfs/dbraw/zinc/05/39/04/780053904.db2.gz HGMKTTFAQWVRAC-RDBSUJKOSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032607505 780069583 /nfs/dbraw/zinc/06/95/83/780069583.db2.gz VTYYABVVSGSLEW-ZOBUZTSGSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001032624087 780082346 /nfs/dbraw/zinc/08/23/46/780082346.db2.gz XYLQAFFCHAXHTC-RDBSUJKOSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccco1 ZINC001032624751 780082510 /nfs/dbraw/zinc/08/25/10/780082510.db2.gz UOLBNFGFDJUPLV-ILXRZTDVSA-N 0 3 288.391 2.634 20 30 CFEDHN N#Cc1ccc(C2=CCCN(Cc3ccccc3)C2)nn1 ZINC001240384403 780127973 /nfs/dbraw/zinc/12/79/73/780127973.db2.gz BTBIWIPJHGGDFM-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001032743510 780166235 /nfs/dbraw/zinc/16/62/35/780166235.db2.gz RFUCXRZBGZXXNA-VGWMRTNUSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C[C@@H](COC)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC001116620297 780200061 /nfs/dbraw/zinc/20/00/61/780200061.db2.gz IBQCJUBCIGFISD-HIFRSBDPSA-N 0 3 271.364 2.724 20 30 CFEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001032796477 780249517 /nfs/dbraw/zinc/24/95/17/780249517.db2.gz BSKBTXRXCOQXEE-OKZBNKHCSA-N 0 3 296.414 2.651 20 30 CFEDHN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001032797455 780251347 /nfs/dbraw/zinc/25/13/47/780251347.db2.gz UGDAZTHRTLYQIT-ULQDDVLXSA-N 0 3 284.403 2.650 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CC1 ZINC001032806475 780260617 /nfs/dbraw/zinc/26/06/17/780260617.db2.gz RMVDLNZSWZJPDH-BPUTZDHNSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CC2)C12CCC2 ZINC001078529150 780267796 /nfs/dbraw/zinc/26/77/96/780267796.db2.gz MOOJMNNZFCHGIQ-STQMWFEESA-N 0 3 282.815 2.556 20 30 CFEDHN C#CCN1CCC(CNC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001002102153 780335371 /nfs/dbraw/zinc/33/53/71/780335371.db2.gz JNSDVCPVJZPGNO-UHFFFAOYSA-N 0 3 298.430 2.687 20 30 CFEDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCOCCC#N ZINC000451402600 780366353 /nfs/dbraw/zinc/36/63/53/780366353.db2.gz BSMDTXPWPLUCKS-GHMZBOCLSA-N 0 3 264.291 2.579 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(C)c(F)c1 ZINC001128246408 780367685 /nfs/dbraw/zinc/36/76/85/780367685.db2.gz YBZRVXANZTYBGG-UHFFFAOYSA-N 0 3 292.398 2.942 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016375121 780432610 /nfs/dbraw/zinc/43/26/10/780432610.db2.gz MEFOURBFOSWZTR-YMAMQOFZSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(F)c2)C1 ZINC001032875767 780494596 /nfs/dbraw/zinc/49/45/96/780494596.db2.gz HNUIHQIIWAIJPM-HNNXBMFYSA-N 0 3 276.355 2.548 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032951735 780518384 /nfs/dbraw/zinc/51/83/84/780518384.db2.gz PSXKSNBRCBVUPG-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001032985555 780526181 /nfs/dbraw/zinc/52/61/81/780526181.db2.gz KNSUXJDKLWTYQU-CAOSSQGBSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H](C)C(C)(F)F ZINC001273019512 780534246 /nfs/dbraw/zinc/53/42/46/780534246.db2.gz WXGYUHGGERFNQX-NXEZZACHSA-N 0 3 282.762 2.515 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001033051368 780543151 /nfs/dbraw/zinc/54/31/51/780543151.db2.gz JOEKOEOIDRDDIP-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033133688 780577839 /nfs/dbraw/zinc/57/78/39/780577839.db2.gz KHGOQTUKUQFZGZ-STQMWFEESA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033183693 780606805 /nfs/dbraw/zinc/60/68/05/780606805.db2.gz LHKNPUYIYHFOEX-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001033226276 780622734 /nfs/dbraw/zinc/62/27/34/780622734.db2.gz QABPNPPJCDIBEM-OAHLLOKOSA-N 0 3 299.418 2.681 20 30 CFEDHN C#CCN1CCC2(CCN(C(=O)CC3CCCC3)C2)CC1 ZINC001040587498 780637918 /nfs/dbraw/zinc/63/79/18/780637918.db2.gz ZURDWMTURRWBJX-UHFFFAOYSA-N 0 3 288.435 2.514 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033380882 780667905 /nfs/dbraw/zinc/66/79/05/780667905.db2.gz NEKZFAKDBJQRDQ-OAHLLOKOSA-N 0 3 292.810 2.601 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459003 780687255 /nfs/dbraw/zinc/68/72/55/780687255.db2.gz VGRBLXREIOMTIE-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001033554210 780713176 /nfs/dbraw/zinc/71/31/76/780713176.db2.gz PMMSWOROACPSEO-CYBMUJFWSA-N 0 3 291.395 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033612906 780722683 /nfs/dbraw/zinc/72/26/83/780722683.db2.gz IUUKXFOQBURABH-GOSISDBHSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606553 780728401 /nfs/dbraw/zinc/72/84/01/780728401.db2.gz OJIYDIBXMQMYKP-OAHLLOKOSA-N 0 3 290.794 2.510 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033621337 780732590 /nfs/dbraw/zinc/73/25/90/780732590.db2.gz YIVQJPNFKMHAJL-NSHDSACASA-N 0 3 298.333 2.940 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033630488 780736093 /nfs/dbraw/zinc/73/60/93/780736093.db2.gz GLELBPHRDKWQIE-QGZVFWFLSA-N 0 3 286.419 2.971 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033667558 780745134 /nfs/dbraw/zinc/74/51/34/780745134.db2.gz NPVFLRFUOUKHBR-SNVBAGLBSA-N 0 3 299.827 2.519 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033677531 780747323 /nfs/dbraw/zinc/74/73/23/780747323.db2.gz BXVJVKZPUUWGOD-DLBZAZTESA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033679430 780748910 /nfs/dbraw/zinc/74/89/10/780748910.db2.gz XTFMFCGNLFQQJZ-SFHVURJKSA-N 0 3 296.414 2.734 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693278 780750071 /nfs/dbraw/zinc/75/00/71/780750071.db2.gz RKIDDEWGQOQMSH-GOSISDBHSA-N 0 3 296.414 2.734 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033697930 780752694 /nfs/dbraw/zinc/75/26/94/780752694.db2.gz KPFBSSNVXHCGOZ-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033924635 780824274 /nfs/dbraw/zinc/82/42/74/780824274.db2.gz DQKYTXLTDKHVTR-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034028521 780859362 /nfs/dbraw/zinc/85/93/62/780859362.db2.gz GYWATSOQRNDZQH-KRWDZBQOSA-N 0 3 298.430 2.863 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034025370 780864075 /nfs/dbraw/zinc/86/40/75/780864075.db2.gz GPKZEEFONRPSPE-QGZVFWFLSA-N 0 3 298.430 2.863 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034025369 780864609 /nfs/dbraw/zinc/86/46/09/780864609.db2.gz GPKZEEFONRPSPE-KRWDZBQOSA-N 0 3 298.430 2.863 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034025159 780865709 /nfs/dbraw/zinc/86/57/09/780865709.db2.gz DVZRXNOLEWKWGO-SFHVURJKSA-N 0 3 298.430 2.863 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC001034110599 780895134 /nfs/dbraw/zinc/89/51/34/780895134.db2.gz YTERWLZEYFXZNB-MRXNPFEDSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC001034110631 780895769 /nfs/dbraw/zinc/89/57/69/780895769.db2.gz OYFBWJCIPWUTLM-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C#C[C@@H](NCc1ccc(C(=O)OC)cc1)C(C)(C)C ZINC000702224317 780901365 /nfs/dbraw/zinc/90/13/65/780901365.db2.gz OAHBWPHCZPHCHM-CQSZACIVSA-N 0 3 259.349 2.611 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034159715 780906104 /nfs/dbraw/zinc/90/61/04/780906104.db2.gz BLQSBAVIGKNDRF-HNNXBMFYSA-N 0 3 292.398 2.778 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034300328 780940356 /nfs/dbraw/zinc/94/03/56/780940356.db2.gz HXVAPCCQIAHTLW-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034300343 780941099 /nfs/dbraw/zinc/94/10/99/780941099.db2.gz HXVAPCCQIAHTLW-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034343223 780952506 /nfs/dbraw/zinc/95/25/06/780952506.db2.gz PISGULPCMNPWNW-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034378496 780961073 /nfs/dbraw/zinc/96/10/73/780961073.db2.gz TXDLKIJJGVYZLM-MRXNPFEDSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034385981 780962541 /nfs/dbraw/zinc/96/25/41/780962541.db2.gz ORJSGCUTHGDDSV-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034388190 780962875 /nfs/dbraw/zinc/96/28/75/780962875.db2.gz FEUDIMUDKTWHFO-HLLBOEOZSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034425653 780967930 /nfs/dbraw/zinc/96/79/30/780967930.db2.gz WPHYFAYUEUZGJN-MRXNPFEDSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001034424318 780968267 /nfs/dbraw/zinc/96/82/67/780968267.db2.gz NRGLRFSVMPIFKR-AWEZNQCLSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001034438294 780975953 /nfs/dbraw/zinc/97/59/53/780975953.db2.gz LWIUDXYEHJEJHS-HNNXBMFYSA-N 0 3 292.448 2.756 20 30 CFEDHN N#Cc1csc(CNCC2SCCS2)c1 ZINC000703011853 780977542 /nfs/dbraw/zinc/97/75/42/780977542.db2.gz MSCNQZZKIFBXGP-UHFFFAOYSA-N 0 3 256.421 2.515 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001045539339 781029309 /nfs/dbraw/zinc/02/93/09/781029309.db2.gz QJINPCAIJSMVLA-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001045538760 781030483 /nfs/dbraw/zinc/03/04/83/781030483.db2.gz JOLOFMDSHFVFTR-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCCCCCNC(=O)[C@]1(N)C[C@@H](OCC)C1(C)C ZINC000703783216 781061400 /nfs/dbraw/zinc/06/14/00/781061400.db2.gz UPYAFGUNUPOHOR-CZUORRHYSA-N 0 3 284.444 2.606 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035213608 781131121 /nfs/dbraw/zinc/13/11/21/781131121.db2.gz MSKFCHPYHVDKCD-UHFFFAOYSA-N 0 3 296.430 2.873 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC001035641503 781153568 /nfs/dbraw/zinc/15/35/68/781153568.db2.gz NCAACPSIGPVBIA-UHFFFAOYSA-N 0 3 290.432 2.862 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cocc1C)CC2 ZINC001035768856 781166639 /nfs/dbraw/zinc/16/66/39/781166639.db2.gz UTKILUVLCJXYHQ-UHFFFAOYSA-N 0 3 288.391 2.702 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C)CC=CC1)CC2 ZINC001035784049 781168935 /nfs/dbraw/zinc/16/89/35/781168935.db2.gz IWGLBNLUBBZQLP-UHFFFAOYSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)C)CC2 ZINC001035840233 781176536 /nfs/dbraw/zinc/17/65/36/781176536.db2.gz CIAHMWZKGSBSQV-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H](C)C1CC1)CC2 ZINC001035857481 781179388 /nfs/dbraw/zinc/17/93/88/781179388.db2.gz NFJSZOGLEWOKSW-HNNXBMFYSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)F ZINC001098855613 781207079 /nfs/dbraw/zinc/20/70/79/781207079.db2.gz OAJIBWDXUWBULC-CYBMUJFWSA-N 0 3 284.419 2.917 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000708117101 781265079 /nfs/dbraw/zinc/26/50/79/781265079.db2.gz SMMOIRQDOQDHKS-UHFFFAOYSA-N 0 3 283.293 2.666 20 30 CFEDHN CCCCCC(C)(C)CNC(=O)[C@@H](N)CCCC#N ZINC000709413566 781310995 /nfs/dbraw/zinc/31/09/95/781310995.db2.gz CZSLTEMQIQWKLF-ZDUSSCGKSA-N 0 3 267.417 2.730 20 30 CFEDHN C=C(C)CNc1ccc(N2CCN(C(C)C)CC2)nc1 ZINC001163378945 781456916 /nfs/dbraw/zinc/45/69/16/781456916.db2.gz ZEBDTFKMLKOSJF-UHFFFAOYSA-N 0 3 274.412 2.600 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001079854642 781623308 /nfs/dbraw/zinc/62/33/08/781623308.db2.gz WFWWMZBWMUQJAB-IAQYHMDHSA-N 0 3 294.345 2.591 20 30 CFEDHN Cc1ccc(-c2cc(CN(C)C)ccn2)c(C#N)c1 ZINC001242591501 781624172 /nfs/dbraw/zinc/62/41/72/781624172.db2.gz SKUNOQCVTUCEJN-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080098324 781636848 /nfs/dbraw/zinc/63/68/48/781636848.db2.gz PMDLQHOYMWBWGI-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001080282266 781648777 /nfs/dbraw/zinc/64/87/77/781648777.db2.gz VVKASCQIGRAHOH-UKRRQHHQSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001080395900 781652918 /nfs/dbraw/zinc/65/29/18/781652918.db2.gz QSILAEOOUPRCTC-QLFBSQMISA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001080551546 781668573 /nfs/dbraw/zinc/66/85/73/781668573.db2.gz ZFZRYRCIXLTTRM-RHSMWYFYSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001080816346 781678824 /nfs/dbraw/zinc/67/88/24/781678824.db2.gz CPDJVRGFMKQJLP-CZUORRHYSA-N 0 3 290.382 2.760 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001080900568 781685148 /nfs/dbraw/zinc/68/51/48/781685148.db2.gz PLAGILXTEISDAT-IAGOWNOFSA-N 0 3 298.430 2.685 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001081012470 781689256 /nfs/dbraw/zinc/68/92/56/781689256.db2.gz VCQBVXLIBDEJHL-CXAGYDPISA-N 0 3 284.403 2.800 20 30 CFEDHN C#CCNC1(CNC(=O)c2cc3c(cccc3C)o2)CCC1 ZINC001273207810 781748926 /nfs/dbraw/zinc/74/89/26/781748926.db2.gz DFVLLLCXXKPPLL-UHFFFAOYSA-N 0 3 296.370 2.617 20 30 CFEDHN C#CCNC1(CNC(=O)[C@@H](CCC)CC(C)C)CCC1 ZINC001273209029 781755663 /nfs/dbraw/zinc/75/56/63/781755663.db2.gz VFYLIDKDSJLLLP-HNNXBMFYSA-N 0 3 278.440 2.711 20 30 CFEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc(C)n1C ZINC001119290024 781756672 /nfs/dbraw/zinc/75/66/72/781756672.db2.gz XTCAZYPMVCWNNH-INIZCTEOSA-N 0 3 284.407 2.791 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001084198773 781779293 /nfs/dbraw/zinc/77/92/93/781779293.db2.gz BFDHCGFBCWVDSJ-HUUCEWRRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001084280503 781786045 /nfs/dbraw/zinc/78/60/45/781786045.db2.gz OJZBMMOQYIZLIQ-HUUCEWRRSA-N 0 3 288.391 2.619 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001084444650 781797465 /nfs/dbraw/zinc/79/74/65/781797465.db2.gz ACIRAEVNVKEMRH-GVDBMIGSSA-N 0 3 288.435 2.842 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098905513 781800817 /nfs/dbraw/zinc/80/08/17/781800817.db2.gz OJZFZGUGEBMADX-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001084594664 781809582 /nfs/dbraw/zinc/80/95/82/781809582.db2.gz RJSPITUUWYTVEZ-HUUCEWRRSA-N 0 3 288.391 2.701 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001084635243 781813539 /nfs/dbraw/zinc/81/35/39/781813539.db2.gz STBGEOGHHYPRIN-GYTBAZASSA-N 0 3 294.414 2.624 20 30 CFEDHN C=C[C@H](C(=O)N1C[C@H]2CCN(CC)C[C@H]21)c1ccccc1 ZINC001084847039 781845406 /nfs/dbraw/zinc/84/54/06/781845406.db2.gz IVUDZJKWHUXZCR-IXDOHACOSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]21 ZINC001084947800 781864764 /nfs/dbraw/zinc/86/47/64/781864764.db2.gz PFJYLNYHVIOWFC-RYRKJORJSA-N 0 3 288.435 2.842 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000594514546 349437497 /nfs/dbraw/zinc/43/74/97/349437497.db2.gz KVSYFWSRQYEDOV-SNVBAGLBSA-N 0 3 280.393 2.687 20 30 CFEDHN CO[C@H](C)[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516114 349437917 /nfs/dbraw/zinc/43/79/17/349437917.db2.gz BDZHMBNFGCLJAA-CHWSQXEVSA-N 0 3 258.365 2.950 20 30 CFEDHN COC[C@@H](NC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594520076 349440859 /nfs/dbraw/zinc/44/08/59/349440859.db2.gz YHQMVAGXMATRPH-MRXNPFEDSA-N 0 3 270.376 2.952 20 30 CFEDHN CC(C)(C#N)c1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000594522668 349442240 /nfs/dbraw/zinc/44/22/40/349442240.db2.gz NNPMVDDVZRUVLP-UHFFFAOYSA-N 0 3 281.359 2.878 20 30 CFEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1CCCCO1 ZINC000594612493 349463105 /nfs/dbraw/zinc/46/31/05/349463105.db2.gz SWZRDKSVOMMKNG-HOTGVXAUSA-N 0 3 298.390 2.643 20 30 CFEDHN N#CCc1ccc(NC2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000594611347 349463252 /nfs/dbraw/zinc/46/32/52/349463252.db2.gz ITNHXQOHIZKAAS-GOSISDBHSA-N 0 3 299.418 2.808 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000067706459 346815632 /nfs/dbraw/zinc/81/56/32/346815632.db2.gz IXMRNGJCAKWDSK-UHFFFAOYSA-N 0 3 290.794 2.932 20 30 CFEDHN CC1CCN(CCSc2ccncc2C#N)CC1 ZINC000594911121 349502795 /nfs/dbraw/zinc/50/27/95/349502795.db2.gz ZIWDXMSYENXPSW-UHFFFAOYSA-N 0 3 261.394 2.777 20 30 CFEDHN COc1ccc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594915638 349505035 /nfs/dbraw/zinc/50/50/35/349505035.db2.gz VIAJEDCSLLWCRD-UHFFFAOYSA-N 0 3 293.370 2.935 20 30 CFEDHN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000124586863 187144564 /nfs/dbraw/zinc/14/45/64/187144564.db2.gz ZJXGMQKDSDBBSC-WFASDCNBSA-N 0 3 271.364 2.760 20 30 CFEDHN CC[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594940390 349520984 /nfs/dbraw/zinc/52/09/84/349520984.db2.gz BGHGKNKFBDFMRO-HNNXBMFYSA-N 0 3 258.365 2.756 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cnn2c1CCC2 ZINC000594952119 349526500 /nfs/dbraw/zinc/52/65/00/349526500.db2.gz WCXXEOJTPGNBIZ-KRWDZBQOSA-N 0 3 292.386 2.868 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1cc(C#N)cs1 ZINC000594955778 349528110 /nfs/dbraw/zinc/52/81/10/349528110.db2.gz DPRPAPVWZUMJLF-ZDUSSCGKSA-N 0 3 264.394 2.915 20 30 CFEDHN CC(C)Cn1nccc1CNCCc1ccc(C#N)cc1 ZINC000594955685 349528285 /nfs/dbraw/zinc/52/82/85/349528285.db2.gz SAEZWOAWNQEWAR-UHFFFAOYSA-N 0 3 282.391 2.743 20 30 CFEDHN COc1ccc(CN2CCN(C3CCCC3)CC2)cc1C#N ZINC000125022350 187166228 /nfs/dbraw/zinc/16/62/28/187166228.db2.gz LAVQPUHSVGCVKC-UHFFFAOYSA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCCSCCNCc1ccnn1-c1ccccn1 ZINC000594968548 349535284 /nfs/dbraw/zinc/53/52/84/349535284.db2.gz RVMHIOMPKOTFQN-UHFFFAOYSA-N 0 3 288.420 2.666 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCN(C3CCCCC3)C2)o1 ZINC000594979022 349537700 /nfs/dbraw/zinc/53/77/00/349537700.db2.gz ZWWUICWGAWZVRI-ZDUSSCGKSA-N 0 3 273.380 2.648 20 30 CFEDHN CC1(C)[C@@H](CNCc2ccc(C#N)cc2)C1(F)F ZINC000594991898 349541204 /nfs/dbraw/zinc/54/12/04/349541204.db2.gz MWHGYFKZXNWCMN-GFCCVEGCSA-N 0 3 250.292 2.939 20 30 CFEDHN CC1(C)OCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000594993552 349541458 /nfs/dbraw/zinc/54/14/58/349541458.db2.gz BUZZACZSYZCKQG-ZDUSSCGKSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C#N)s2)O1 ZINC000594987097 349540101 /nfs/dbraw/zinc/54/01/01/349540101.db2.gz WIUWUYAWKMGROM-GHMZBOCLSA-N 0 3 250.367 2.667 20 30 CFEDHN N#CC1(c2ccc(CN[C@H]3C[C@@H](O)C34CCC4)cc2)CC1 ZINC000594990515 349541144 /nfs/dbraw/zinc/54/11/44/349541144.db2.gz ZNPDLPDXNUJESQ-JKSUJKDBSA-N 0 3 282.387 2.635 20 30 CFEDHN C#Cc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000290196787 197628033 /nfs/dbraw/zinc/62/80/33/197628033.db2.gz CPNGXTFNBGNEEX-UHFFFAOYSA-N 0 3 286.419 2.698 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)cc1F)C1CCCC1 ZINC000594995882 349542366 /nfs/dbraw/zinc/54/23/66/349542366.db2.gz VKXBTHHESJYVBE-MRXNPFEDSA-N 0 3 276.355 2.992 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cc(C#N)cs1 ZINC000595000687 349542774 /nfs/dbraw/zinc/54/27/74/349542774.db2.gz MAZQNZQTKBGFKX-MLGOLLRUSA-N 0 3 286.400 2.874 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)o1 ZINC000594997159 349543201 /nfs/dbraw/zinc/54/32/01/349543201.db2.gz YPZWGIAMMIRHFF-OWCLPIDISA-N 0 3 268.291 2.718 20 30 CFEDHN N#CCc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1 ZINC000595043977 349561815 /nfs/dbraw/zinc/56/18/15/349561815.db2.gz HTQBHPGWVMROLM-HNNXBMFYSA-N 0 3 256.349 2.554 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000595055752 349567346 /nfs/dbraw/zinc/56/73/46/349567346.db2.gz IOVCEXLUDHRANA-CYBMUJFWSA-N 0 3 280.375 2.594 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1nccs1 ZINC000595055620 349567514 /nfs/dbraw/zinc/56/75/14/349567514.db2.gz HGWZJKGMZIROTF-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cncs1 ZINC000595056739 349568271 /nfs/dbraw/zinc/56/82/71/349568271.db2.gz VQCTVTFGDSZKSR-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN C=CCCSCCN[C@H](C)c1cncnc1C ZINC000595060528 349571200 /nfs/dbraw/zinc/57/12/00/349571200.db2.gz UVARIGNFRGDCCD-LLVKDONJSA-N 0 3 251.399 2.745 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595092763 349579408 /nfs/dbraw/zinc/57/94/08/349579408.db2.gz WKFORJNNBAXRNN-ARFHVFGLSA-N 0 3 270.376 2.902 20 30 CFEDHN CN(C[C@@H]1CCc2ccccc21)C(=O)[C@H](N)CCCCC#N ZINC000595258289 349588283 /nfs/dbraw/zinc/58/82/83/349588283.db2.gz BMBKHCJOEZIVBZ-DOTOQJQBSA-N 0 3 299.418 2.586 20 30 CFEDHN CC[C@@H]1CO[C@@H](C)CN1CCc1ccc(C#N)cc1 ZINC000595290568 349592094 /nfs/dbraw/zinc/59/20/94/349592094.db2.gz MBARTEVZHFMQDK-XJKSGUPXSA-N 0 3 258.365 2.600 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273116952 192048559 /nfs/dbraw/zinc/04/85/59/192048559.db2.gz YPOYXVMYDVZPPS-SJORKVTESA-N 0 3 286.375 2.614 20 30 CFEDHN CCC(CC)CN(CC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345770392 282161914 /nfs/dbraw/zinc/16/19/14/282161914.db2.gz LOOOVIZPPWKZBD-ZDUSSCGKSA-N 0 3 279.428 2.695 20 30 CFEDHN CC[C@H](CC#N)NC[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595530247 349652397 /nfs/dbraw/zinc/65/23/97/349652397.db2.gz PZAPRISQDUOCBO-UONOGXRCSA-N 0 3 279.428 2.553 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000595566027 349662280 /nfs/dbraw/zinc/66/22/80/349662280.db2.gz FUCOEQYOOULSKP-CQSZACIVSA-N 0 3 270.376 2.744 20 30 CFEDHN C[C@H]1CCCN1C(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595637318 349684875 /nfs/dbraw/zinc/68/48/75/349684875.db2.gz XAEUECWYRQUXMS-AWEZNQCLSA-N 0 3 299.418 2.784 20 30 CFEDHN CCC(C)(C)[C@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000595639613 349685425 /nfs/dbraw/zinc/68/54/25/349685425.db2.gz VJFXLXKRZZZAGL-LBPRGKRZSA-N 0 3 273.380 2.911 20 30 CFEDHN C=CCN(CCc1ccccc1C(=O)OC)[C@H](C)COC ZINC000595638854 349685475 /nfs/dbraw/zinc/68/54/75/349685475.db2.gz MOVKXKMFLCXTSO-CQSZACIVSA-N 0 3 291.391 2.539 20 30 CFEDHN CC(C)(C)OC(=O)CCCN1CCC[C@H](CC#N)C1 ZINC000595621468 349679722 /nfs/dbraw/zinc/67/97/22/349679722.db2.gz VFJGGDDESVANQI-CYBMUJFWSA-N 0 3 266.385 2.734 20 30 CFEDHN CC(C)(NCCOC1CCC1)c1cccc(C#N)c1 ZINC000595633753 349683987 /nfs/dbraw/zinc/68/39/87/349683987.db2.gz YLUCNPNRLPEALE-UHFFFAOYSA-N 0 3 258.365 2.952 20 30 CFEDHN C=CCN(CCCOc1cccc(C#N)c1)[C@@H](C)COC ZINC000595647822 349689163 /nfs/dbraw/zinc/68/91/63/349689163.db2.gz QIEHUNMGIPXGAQ-HNNXBMFYSA-N 0 3 288.391 2.850 20 30 CFEDHN C[C@H]1CCCN(Cc2ccccc2C#N)[C@@H]1CCO ZINC000595693009 349703727 /nfs/dbraw/zinc/70/37/27/349703727.db2.gz CTGJTZJAOGFHNH-XJKSGUPXSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H]1c2ccccc2C[C@H]1NCc1ccncc1C#N ZINC000595705149 349711423 /nfs/dbraw/zinc/71/14/23/349711423.db2.gz DCOBOCRSEAPQMT-YVEFUNNKSA-N 0 3 263.344 2.771 20 30 CFEDHN C[C@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1CCO ZINC000595706892 349712130 /nfs/dbraw/zinc/71/21/30/349712130.db2.gz YFIZUWZHMIHERL-XJKSGUPXSA-N 0 3 258.365 2.541 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCOC(C3CC3)(C3CC3)C2)C1 ZINC000595822579 349743390 /nfs/dbraw/zinc/74/33/90/349743390.db2.gz WSBLBSVGHNWLPV-IUODEOHRSA-N 0 3 260.381 2.570 20 30 CFEDHN CCc1ccc(-c2noc([C@@H](C)NC(=O)C(C)C#N)n2)cc1 ZINC000350641448 529580110 /nfs/dbraw/zinc/58/01/10/529580110.db2.gz IAXJIIYOTMHXPB-WDEREUQCSA-N 0 3 298.346 2.636 20 30 CFEDHN N#CCSCCCN1CCC(c2ccon2)CC1 ZINC000595829604 349745000 /nfs/dbraw/zinc/74/50/00/349745000.db2.gz WROQRGPEZUKPBD-UHFFFAOYSA-N 0 3 265.382 2.501 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000595832212 349745673 /nfs/dbraw/zinc/74/56/73/349745673.db2.gz SXEWHFXOEXBJKU-OFQRWUPVSA-N 0 3 256.349 2.832 20 30 CFEDHN N#CCCOCCN(Cc1ccccc1F)CC1CC1 ZINC000595767966 349728609 /nfs/dbraw/zinc/72/86/09/349728609.db2.gz VFCWQXJOCKPKGV-UHFFFAOYSA-N 0 3 276.355 2.968 20 30 CFEDHN C[C@@H]1CCN(CCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000595779730 349730870 /nfs/dbraw/zinc/73/08/70/349730870.db2.gz HARVYZRRBVCMEQ-CABCVRRESA-N 0 3 288.391 2.826 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)c(Cl)c1 ZINC000595779491 349730901 /nfs/dbraw/zinc/73/09/01/349730901.db2.gz FQQXLWGXUTUEHP-UONOGXRCSA-N 0 3 276.767 2.605 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)CC1=CCSC1 ZINC000595895283 349764172 /nfs/dbraw/zinc/76/41/72/349764172.db2.gz HQVBKNLLFDKXIY-UHFFFAOYSA-N 0 3 274.389 2.542 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595837673 349749262 /nfs/dbraw/zinc/74/92/62/349749262.db2.gz QRWMGMXZPOAIIV-NVXWUHKLSA-N 0 3 291.439 2.553 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C2CCC2)C1 ZINC000595837675 349749731 /nfs/dbraw/zinc/74/97/31/349749731.db2.gz QRWMGMXZPOAIIV-WBVHZDCISA-N 0 3 291.439 2.553 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595837674 349749790 /nfs/dbraw/zinc/74/97/90/349749790.db2.gz QRWMGMXZPOAIIV-RDJZCZTQSA-N 0 3 291.439 2.553 20 30 CFEDHN CC(C)NC(=O)[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000595852196 349755308 /nfs/dbraw/zinc/75/53/08/349755308.db2.gz YSMYHLDFXRRBOP-PBHICJAKSA-N 0 3 299.418 2.856 20 30 CFEDHN CC(C)(CNC[C@H](C#N)CCC#N)CC(F)(F)F ZINC000596049822 349781141 /nfs/dbraw/zinc/78/11/41/349781141.db2.gz IRFWFRBNPOGYAA-JTQLQIEISA-N 0 3 261.291 2.998 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1nc2ncccc2cc1C#N ZINC000596078332 349789184 /nfs/dbraw/zinc/78/91/84/349789184.db2.gz WNFTXBVPYGGOTN-ZDUSSCGKSA-N 0 3 295.390 2.788 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C#N)ccc2C)CC1 ZINC000596114878 349798008 /nfs/dbraw/zinc/79/80/08/349798008.db2.gz IOMGISQBJUEPJG-UHFFFAOYSA-N 0 3 270.380 2.714 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000126585002 187249271 /nfs/dbraw/zinc/24/92/71/187249271.db2.gz ILDAHBSAYLZXCT-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN C[C@@H]1C[C@H](N(C)c2nc(C#N)c(Cl)s2)CCN1C ZINC000596137802 349804537 /nfs/dbraw/zinc/80/45/37/349804537.db2.gz XEFUZMZCYUSLGA-RKDXNWHRSA-N 0 3 284.816 2.587 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)no2)CC1 ZINC000072804342 346941636 /nfs/dbraw/zinc/94/16/36/346941636.db2.gz YVUSUTTWGZBUCA-UHFFFAOYSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccsn1)C(C)C ZINC000295000747 199293533 /nfs/dbraw/zinc/29/35/33/199293533.db2.gz VWHDINIBVFGLCV-AWEZNQCLSA-N 0 3 293.436 2.572 20 30 CFEDHN CCc1ccc([C@H]2CCN(C(=O)C(C)C#N)C2)cc1 ZINC000335964244 529727920 /nfs/dbraw/zinc/72/79/20/529727920.db2.gz QPSCXVPFTPIOBE-DOMZBBRYSA-N 0 3 256.349 2.725 20 30 CFEDHN C[C@H](Nc1nc2ncccc2cc1C#N)C1=CCN(C)CC1 ZINC000596185732 349820676 /nfs/dbraw/zinc/82/06/76/349820676.db2.gz GOGIVMGHAJZLCL-LBPRGKRZSA-N 0 3 293.374 2.564 20 30 CFEDHN CN1CC[C@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)C1 ZINC000336626799 529802918 /nfs/dbraw/zinc/80/29/18/529802918.db2.gz DDWNDWKKSBBCHX-CBCUQQMYSA-N 0 3 291.439 2.553 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)CC1(O)CCC1 ZINC000353486861 529823056 /nfs/dbraw/zinc/82/30/56/529823056.db2.gz CLGXYLAKFMOSOA-UHFFFAOYSA-N 0 3 263.768 2.538 20 30 CFEDHN Cc1ccnc(N[C@H]2CCN(C(C)(C)C)C2)c1C#N ZINC000596336433 349868354 /nfs/dbraw/zinc/86/83/54/349868354.db2.gz PHRJXNJMRNVDIA-LBPRGKRZSA-N 0 3 258.369 2.546 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000074046446 346993632 /nfs/dbraw/zinc/99/36/32/346993632.db2.gz OGOLSKSVDQANQL-HUUCEWRRSA-N 0 3 299.418 3.000 20 30 CFEDHN C[C@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N1CCCCCC1 ZINC000074046442 346993818 /nfs/dbraw/zinc/99/38/18/346993818.db2.gz OGOLSKSVDQANQL-LSDHHAIUSA-N 0 3 299.418 3.000 20 30 CFEDHN CN(CCNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000177694779 529917197 /nfs/dbraw/zinc/91/71/97/529917197.db2.gz UKPBHUPUYFQDAS-UHFFFAOYSA-N 0 3 295.408 2.576 20 30 CFEDHN C=CCOc1ccccc1CNCC1=CCCOC1 ZINC000127210715 187288953 /nfs/dbraw/zinc/28/89/53/187288953.db2.gz MSXQRACQWKBTTJ-UHFFFAOYSA-N 0 3 259.349 2.688 20 30 CFEDHN Cc1ccc(N2CCN(C3CCCCC3)CC2)nc1C#N ZINC000302657920 136457806 /nfs/dbraw/zinc/45/78/06/136457806.db2.gz OISHAGHRMHNPSI-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CN1CCC(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000352226158 530047979 /nfs/dbraw/zinc/04/79/79/530047979.db2.gz RXTBUCBGXXEQMN-KRWDZBQOSA-N 0 3 299.418 2.880 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000668369808 539430243 /nfs/dbraw/zinc/43/02/43/539430243.db2.gz FOBNCUZIPWQOHT-AWEZNQCLSA-N 0 3 290.407 2.615 20 30 CFEDHN Cc1cccnc1CCCNCc1ccc(C#N)o1 ZINC000295098462 199343857 /nfs/dbraw/zinc/34/38/57/199343857.db2.gz UOLHIFUAYWHHNP-UHFFFAOYSA-N 0 3 255.321 2.577 20 30 CFEDHN C[C@H](CNc1ccc(C#N)cn1)N1CCc2ccccc2C1 ZINC000075607266 347086795 /nfs/dbraw/zinc/08/67/95/347086795.db2.gz UMKWHCJRSXKLFJ-CQSZACIVSA-N 0 3 292.386 2.812 20 30 CFEDHN CCOc1cc(/C=C2\C(=O)c3ncnn3C2C)ccc1OC ZINC000823364537 781925922 /nfs/dbraw/zinc/92/59/22/781925922.db2.gz JLGBWZHYQFTKLY-VPMLRQHESA-N 0 3 299.330 2.526 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccsc2)nc(C)n1 ZINC000041562905 346352396 /nfs/dbraw/zinc/35/23/96/346352396.db2.gz CPEMPQPOCUWVAO-NSHDSACASA-N 0 3 257.318 2.645 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000042247665 346363142 /nfs/dbraw/zinc/36/31/42/346363142.db2.gz OTKRPBCQUNMZBO-ZNMIVQPWSA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000046374930 346426637 /nfs/dbraw/zinc/42/66/37/346426637.db2.gz TYJMRUYEPQWCHB-CYBMUJFWSA-N 0 3 286.379 2.554 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1F)C[C@H]1CCOC1 ZINC000047726327 346458083 /nfs/dbraw/zinc/45/80/83/346458083.db2.gz XLTBUNJYSKMGFM-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN CCN(CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000047966268 346461723 /nfs/dbraw/zinc/46/17/23/346461723.db2.gz ARULIPXKULHGCB-UHFFFAOYSA-N 0 3 277.412 2.594 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CC)CC1 ZINC000052280128 346520200 /nfs/dbraw/zinc/52/02/00/346520200.db2.gz DOXLLZHELFUCOC-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC(=O)NCC2CC2)C1 ZINC000328854491 539545149 /nfs/dbraw/zinc/54/51/49/539545149.db2.gz XMEOVXLHLCDJIE-OEAJRASXSA-N 0 3 294.439 2.614 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H]1Cc1ccccc1 ZINC000055505137 346590984 /nfs/dbraw/zinc/59/09/84/346590984.db2.gz VOPVUVODHLHKRX-SFHVURJKSA-N 0 3 298.430 2.894 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc(OCC=C)c2)CC1 ZINC000066922361 346784486 /nfs/dbraw/zinc/78/44/86/346784486.db2.gz NFAYVFDSEMRXGP-UHFFFAOYSA-N 0 3 298.386 2.535 20 30 CFEDHN N#Cc1ccc(CN2CCN([C@H]3C=CCCC3)CC2)cc1 ZINC000076668006 347146654 /nfs/dbraw/zinc/14/66/54/347146654.db2.gz NZWNXTLZGZQJDM-SFHVURJKSA-N 0 3 281.403 2.785 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000076738146 347150921 /nfs/dbraw/zinc/15/09/21/347150921.db2.gz CEAPWTUCAHLSNI-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C1CC1)C1CCCCC1 ZINC000076948822 347161535 /nfs/dbraw/zinc/16/15/35/347161535.db2.gz UGSZPUGXYTUNGH-CQSZACIVSA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)cc1)c1ccsc1 ZINC000077460500 347193029 /nfs/dbraw/zinc/19/30/29/347193029.db2.gz OFQZBYBQVBTMPE-HNNXBMFYSA-N 0 3 272.373 2.617 20 30 CFEDHN C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000077656642 347207131 /nfs/dbraw/zinc/20/71/31/347207131.db2.gz NKSCDOAWVHEOGT-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCCC2CC2)CC1 ZINC000077663077 347208266 /nfs/dbraw/zinc/20/82/66/347208266.db2.gz QXZUPCLSGFFCGQ-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN COCC#CCN(C)Cc1cccc2ccccc21 ZINC000677133123 539554523 /nfs/dbraw/zinc/55/45/23/539554523.db2.gz IQOWFUQUCLCFDE-UHFFFAOYSA-N 0 3 253.345 2.921 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000090117594 347544031 /nfs/dbraw/zinc/54/40/31/347544031.db2.gz WBBSLPYOMKOCIY-ZBFHGGJFSA-N 0 3 276.355 2.991 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000090107313 347543310 /nfs/dbraw/zinc/54/33/10/347543310.db2.gz FPVIJTAVBSHQKS-LBPRGKRZSA-N 0 3 285.322 2.822 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(NCCN(C)C)c2c1 ZINC000090998451 347564584 /nfs/dbraw/zinc/56/45/84/347564584.db2.gz BOBZLIKOBTZSFY-UHFFFAOYSA-N 0 3 268.364 2.697 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(Cc2ccon2)CC1 ZINC000091512488 347591163 /nfs/dbraw/zinc/59/11/63/347591163.db2.gz YTJAGNAOZODWFJ-CQSZACIVSA-N 0 3 263.385 2.537 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2cc(OC)ccn2)CC1 ZINC000091556299 347592969 /nfs/dbraw/zinc/59/29/69/347592969.db2.gz GUZFWZHLRPHCND-OAHLLOKOSA-N 0 3 289.423 2.957 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@](C)(C(=O)OC)C1 ZINC000093813717 347683994 /nfs/dbraw/zinc/68/39/94/347683994.db2.gz YGJYQUJHUOYQDH-KRWDZBQOSA-N 0 3 289.375 2.636 20 30 CFEDHN CC(C)(C)CCN1CCN(c2cnccc2C#N)CC1 ZINC000094149337 347692948 /nfs/dbraw/zinc/69/29/48/347692948.db2.gz KEHBQNXBQSQKEE-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C=C(C)CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000119099014 347800149 /nfs/dbraw/zinc/80/01/49/347800149.db2.gz BSKHZKVQHVWMIP-CQSZACIVSA-N 0 3 289.423 2.991 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CC)CC1 ZINC000119953771 347804937 /nfs/dbraw/zinc/80/49/37/347804937.db2.gz MEQRXAJJMLCPNJ-HOCLYGCPSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000668556480 539577143 /nfs/dbraw/zinc/57/71/43/539577143.db2.gz UVNCAZDBZWNADX-GOSISDBHSA-N 0 3 287.403 2.988 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@](O)(C2CC2)C1 ZINC000668555925 539577290 /nfs/dbraw/zinc/57/72/90/539577290.db2.gz IPWSSWYOOHJLJF-GOSISDBHSA-N 0 3 287.403 2.988 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N[C@@H](C)C(C)C ZINC000150887553 347957304 /nfs/dbraw/zinc/95/73/04/347957304.db2.gz UYODGVBRLVZNPI-AWEZNQCLSA-N 0 3 254.418 2.825 20 30 CFEDHN COc1ccc([C@@H](CCO)NCc2cccc(C#N)c2)cc1 ZINC000128698841 187385087 /nfs/dbraw/zinc/38/50/87/187385087.db2.gz MPWLCGIMBVPGGY-GOSISDBHSA-N 0 3 296.370 2.780 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000154391812 347980055 /nfs/dbraw/zinc/98/00/55/347980055.db2.gz SBSSXGJEOCZXSC-MRXNPFEDSA-N 0 3 293.455 2.859 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165473845 348040014 /nfs/dbraw/zinc/04/00/14/348040014.db2.gz LYYXDLRTBLGEEB-OAHLLOKOSA-N 0 3 271.408 2.783 20 30 CFEDHN C=CCSCCNCc1cnc2ccccc2n1 ZINC000231933526 348209825 /nfs/dbraw/zinc/20/98/25/348209825.db2.gz VPYNYAPBDWDQEK-UHFFFAOYSA-N 0 3 259.378 2.639 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CC2CCCC2)cc1 ZINC000232129220 348210828 /nfs/dbraw/zinc/21/08/28/348210828.db2.gz NSTJBQVOJNYJJO-INIZCTEOSA-N 0 3 258.365 2.589 20 30 CFEDHN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000271825622 348332297 /nfs/dbraw/zinc/33/22/97/348332297.db2.gz DAMVMOCBOZUTHT-RDTXWAMCSA-N 0 3 296.370 2.973 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000297775977 348365719 /nfs/dbraw/zinc/36/57/19/348365719.db2.gz PKFCBNIRMUQXKE-DZGCQCFKSA-N 0 3 274.412 2.519 20 30 CFEDHN C[C@@H]1SCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000310359453 348409080 /nfs/dbraw/zinc/40/90/80/348409080.db2.gz SXTOJYHLUJHDPA-ZANVPECISA-N 0 3 250.342 2.681 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000311271231 348412207 /nfs/dbraw/zinc/41/22/07/348412207.db2.gz KWXFHZKIPGTIKI-XJKSGUPXSA-N 0 3 258.365 2.866 20 30 CFEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccn1 ZINC000319290604 348434127 /nfs/dbraw/zinc/43/41/27/348434127.db2.gz NLRFUHILVQSATA-KURKYZTESA-N 0 3 299.418 2.859 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320802952 348437319 /nfs/dbraw/zinc/43/73/19/348437319.db2.gz VZPARPUFMGFXJQ-WCQYABFASA-N 0 3 264.325 2.573 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000335999085 348450487 /nfs/dbraw/zinc/45/04/87/348450487.db2.gz OFRKNQLPGPWQAX-BDAKNGLRSA-N 0 3 252.264 2.644 20 30 CFEDHN C=CCCC1(C(=O)N(C)C[C@H]2CCCN2CC)CC1 ZINC000356327589 348503774 /nfs/dbraw/zinc/50/37/74/348503774.db2.gz WVWXTDWMBXAXIM-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366482537 348512686 /nfs/dbraw/zinc/51/26/86/348512686.db2.gz HOYWAVYMZRWWPZ-GDBMZVCRSA-N 0 3 280.412 2.586 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388174759 348537764 /nfs/dbraw/zinc/53/77/64/348537764.db2.gz LHWPXEBBWYXIGB-IRXDYDNUSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1CCC#N ZINC000404450114 348592298 /nfs/dbraw/zinc/59/22/98/348592298.db2.gz YJVSCBAUUWWQPF-ARFHVFGLSA-N 0 3 271.408 2.883 20 30 CFEDHN N#Cc1cc(CN2CCC3(CC3(F)F)CC2)ccn1 ZINC000404836974 348595119 /nfs/dbraw/zinc/59/51/19/348595119.db2.gz AMVGZKYBVFTPEQ-UHFFFAOYSA-N 0 3 263.291 2.574 20 30 CFEDHN CC[C@@H](C)[C@@H](CNCc1ccc(CC#N)cc1)OC ZINC000399037273 348568472 /nfs/dbraw/zinc/56/84/72/348568472.db2.gz PJJQXWMZVBFDQM-CZUORRHYSA-N 0 3 260.381 2.903 20 30 CFEDHN COc1cc(CNCC(C)(C)CCC#N)sn1 ZINC000399318153 348568840 /nfs/dbraw/zinc/56/88/40/348568840.db2.gz OVRDGDPUMYYSRA-UHFFFAOYSA-N 0 3 253.371 2.571 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCC2)C1 ZINC000526061684 348646040 /nfs/dbraw/zinc/64/60/40/348646040.db2.gz MJIDYFNTJJSMOW-AWEZNQCLSA-N 0 3 289.423 2.594 20 30 CFEDHN CC(C)(CN1CCCC1)NCc1cccc(F)c1C#N ZINC000452096936 535077146 /nfs/dbraw/zinc/07/71/46/535077146.db2.gz PBMCTGPWOZHHOQ-UHFFFAOYSA-N 0 3 275.371 2.661 20 30 CFEDHN CN(C)CCN(C(=O)CCCCCC#N)C1CCCC1 ZINC000588648214 348790162 /nfs/dbraw/zinc/79/01/62/348790162.db2.gz ICTWDFQRMDVYES-UHFFFAOYSA-N 0 3 279.428 2.793 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@]1(C)CCCO1 ZINC000585726024 348740699 /nfs/dbraw/zinc/74/06/99/348740699.db2.gz PWYRKQVFWGDQAM-ABAIWWIYSA-N 0 3 262.328 2.745 20 30 CFEDHN CN(C)CCN(Cc1ccsc1)c1ccc(C#N)cn1 ZINC000413463464 233078060 /nfs/dbraw/zinc/07/80/60/233078060.db2.gz YSIJKIBDUHYFRN-UHFFFAOYSA-N 0 3 286.404 2.583 20 30 CFEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CCCC#N ZINC000589706995 348852906 /nfs/dbraw/zinc/85/29/06/348852906.db2.gz NTGIBVXOVJLFPX-MRXNPFEDSA-N 0 3 299.418 2.803 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H](CCO)C1 ZINC000093106413 539685309 /nfs/dbraw/zinc/68/53/09/539685309.db2.gz SKBXFZHSYVYURC-HNNXBMFYSA-N 0 3 275.392 2.846 20 30 CFEDHN N#CC1(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000590143741 348877504 /nfs/dbraw/zinc/87/75/04/348877504.db2.gz AZDJGWLQRLNTSP-INIZCTEOSA-N 0 3 297.402 2.634 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@H](C)O1 ZINC000590746508 348941017 /nfs/dbraw/zinc/94/10/17/348941017.db2.gz GDRXHADJBUALBR-CJTUPEFNSA-N 0 3 256.349 2.701 20 30 CFEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756641 348943583 /nfs/dbraw/zinc/94/35/83/348943583.db2.gz JURGSFHPTZAFOK-HUUCEWRRSA-N 0 3 273.380 2.635 20 30 CFEDHN N#Cc1cc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccn1 ZINC000590758576 348943808 /nfs/dbraw/zinc/94/38/08/348943808.db2.gz CZXQTBITJILLPE-SJORKVTESA-N 0 3 297.402 2.734 20 30 CFEDHN CC[C@H](C)N[C@H](CNC(=O)CC1(C#N)CC1)c1ccco1 ZINC000590759004 348944096 /nfs/dbraw/zinc/94/40/96/348944096.db2.gz VRXSFUJNLKPRCX-QWHCGFSZSA-N 0 3 289.379 2.519 20 30 CFEDHN C[C@@H]1C[C@H](NCCc2cccc(C#N)c2)c2nccn21 ZINC000590778640 348948219 /nfs/dbraw/zinc/94/82/19/348948219.db2.gz XRBWDUTUBXPZJI-DOMZBBRYSA-N 0 3 266.348 2.593 20 30 CFEDHN CC(C)N1CCC(N(C)c2nc(C#N)c(Cl)s2)CC1 ZINC000590569517 348909835 /nfs/dbraw/zinc/90/98/35/348909835.db2.gz MYFDYLHZSBLHOG-UHFFFAOYSA-N 0 3 298.843 2.977 20 30 CFEDHN COCCN(Cc1ccco1)C[C@@H](C)CCC#N ZINC000590593855 348912110 /nfs/dbraw/zinc/91/21/10/348912110.db2.gz XSEKRTITORKWSK-ZDUSSCGKSA-N 0 3 250.342 2.668 20 30 CFEDHN CC(C)(CC#N)CNCc1ccc(C(=O)NC2CC2)cc1 ZINC000590970636 348974739 /nfs/dbraw/zinc/97/47/39/348974739.db2.gz JBOHYLZZGYDPDQ-UHFFFAOYSA-N 0 3 285.391 2.608 20 30 CFEDHN N#CC1(CC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)CC1 ZINC000590979864 348975665 /nfs/dbraw/zinc/97/56/65/348975665.db2.gz QTVWFKGTLYNCNH-HNNXBMFYSA-N 0 3 295.386 2.691 20 30 CFEDHN COCC1(N(C)CCC2(C#N)CCCCC2)CC1 ZINC000591021353 348979348 /nfs/dbraw/zinc/97/93/48/348979348.db2.gz AOUVSJZQHYLTOA-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN COc1cccc(-c2n[nH]cc2CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000591640226 349036270 /nfs/dbraw/zinc/03/62/70/349036270.db2.gz WYPKXGQVJUWHHT-SWLSCSKDSA-N 0 3 296.374 2.867 20 30 CFEDHN CC(C)(C)CCN1CCN(Cc2ccncc2C#N)CC1 ZINC000592062653 349077711 /nfs/dbraw/zinc/07/77/11/349077711.db2.gz BMRIFSXIWJUUTG-UHFFFAOYSA-N 0 3 286.423 2.507 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000592069437 349078589 /nfs/dbraw/zinc/07/85/89/349078589.db2.gz MXTDAUUTPMUTKR-CVEARBPZSA-N 0 3 290.451 2.991 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)n2cccc2)CC1 ZINC000592313492 349104931 /nfs/dbraw/zinc/10/49/31/349104931.db2.gz XQNQXPPTDQRMCW-OAHLLOKOSA-N 0 3 289.423 2.596 20 30 CFEDHN Cc1cccc2c1ncc(C)c2N1CC[C@](O)(CC#N)C1 ZINC000591974126 349067720 /nfs/dbraw/zinc/06/77/20/349067720.db2.gz IMIFXRPRKUOTOY-QGZVFWFLSA-N 0 3 281.359 2.707 20 30 CFEDHN Cc1ccccc1-n1cc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000592368961 349110662 /nfs/dbraw/zinc/11/06/62/349110662.db2.gz YBIVREMTDKKNKZ-GOEBONIOSA-N 0 3 280.375 2.963 20 30 CFEDHN CC[C@H](C)C[C@@H](CO)NCc1cc(C#N)cs1 ZINC000592375106 349111031 /nfs/dbraw/zinc/11/10/31/349111031.db2.gz QRKWESQBLRPIEC-JQWIXIFHSA-N 0 3 252.383 2.506 20 30 CFEDHN CC[C@@H](C)C[C@@H](CO)NCc1cc(C#N)cs1 ZINC000592375108 349111350 /nfs/dbraw/zinc/11/13/50/349111350.db2.gz QRKWESQBLRPIEC-PWSUYJOCSA-N 0 3 252.383 2.506 20 30 CFEDHN CCCC[C@](C)(CO)NCc1ccc(C#N)s1 ZINC000592375490 349112123 /nfs/dbraw/zinc/11/21/23/349112123.db2.gz VTPGURVIECSKKK-CYBMUJFWSA-N 0 3 252.383 2.651 20 30 CFEDHN CCCN(Cc1ccc(C#N)s1)[C@@H]1CCN(C)C1 ZINC000592521156 349131273 /nfs/dbraw/zinc/13/12/73/349131273.db2.gz VMUYNUQIEJNYNV-GFCCVEGCSA-N 0 3 263.410 2.536 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000592521928 349132729 /nfs/dbraw/zinc/13/27/29/349132729.db2.gz DXWRELYQRUOFOR-SFHVURJKSA-N 0 3 293.370 2.599 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1F)[C@@H]1CCN(C)C1 ZINC000592521213 349132816 /nfs/dbraw/zinc/13/28/16/349132816.db2.gz WXAZOJRFZCODOF-OAHLLOKOSA-N 0 3 275.371 2.613 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000593036228 349191430 /nfs/dbraw/zinc/19/14/30/349191430.db2.gz QVMPRQFXECZWTR-WOPDTQHZSA-N 0 3 273.336 2.943 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593114581 349212371 /nfs/dbraw/zinc/21/23/71/349212371.db2.gz DDHVKSBWHQTNLI-AWEZNQCLSA-N 0 3 278.302 2.668 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C2(O)CC2)CC1 ZINC000593051008 349194172 /nfs/dbraw/zinc/19/41/72/349194172.db2.gz RIKNRBKHCJGJJG-ZDUSSCGKSA-N 0 3 270.376 2.856 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Cn2cnnc2)CC1 ZINC000593077003 349202082 /nfs/dbraw/zinc/20/20/82/349202082.db2.gz HMCWLDDKFCMSDK-AWEZNQCLSA-N 0 3 295.390 2.623 20 30 CFEDHN C[C@H]1C[C@@H]1c1noc(CC2CCN(CCCC#N)CC2)n1 ZINC000593075586 349202163 /nfs/dbraw/zinc/20/21/63/349202163.db2.gz CXMJKIUDOHZQKZ-JSGCOSHPSA-N 0 3 288.395 2.751 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cn2cnnc2)CC1 ZINC000593077044 349203345 /nfs/dbraw/zinc/20/33/45/349203345.db2.gz VNOWPMFDVLIEFG-CQSZACIVSA-N 0 3 295.390 2.623 20 30 CFEDHN CCn1cc(CN(CCCSCC#N)C(C)C)cn1 ZINC000593080306 349204097 /nfs/dbraw/zinc/20/40/97/349204097.db2.gz LYUIRAWVKGIYNC-UHFFFAOYSA-N 0 3 280.441 2.760 20 30 CFEDHN Cc1cc(CN2CCC([C@@H](C)CO)CC2)ccc1C#N ZINC000593083443 349204974 /nfs/dbraw/zinc/20/49/74/349204974.db2.gz NJURBAADCZKYDV-AWEZNQCLSA-N 0 3 272.392 2.707 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC([C@H](C)CO)CC1 ZINC000593082845 349205020 /nfs/dbraw/zinc/20/50/20/349205020.db2.gz IOMNHWFKERRUNR-ZIAGYGMSSA-N 0 3 272.392 2.960 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593604206 349297577 /nfs/dbraw/zinc/29/75/77/349297577.db2.gz ISAOLYNTVDXUTQ-DLBZAZTESA-N 0 3 299.418 2.659 20 30 CFEDHN CCC(C#N)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000593456124 349274797 /nfs/dbraw/zinc/27/47/97/349274797.db2.gz AIZNBNXYRRSECB-LLVKDONJSA-N 0 3 259.284 2.622 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593814623 349329463 /nfs/dbraw/zinc/32/94/63/349329463.db2.gz JUSACBRMTFMXRF-SKDRFNHKSA-N 0 3 276.311 2.704 20 30 CFEDHN CN(C)CCOc1ccc(NC(=O)CCCCC#N)cc1 ZINC000593965533 349341284 /nfs/dbraw/zinc/34/12/84/349341284.db2.gz STLWPDUIEDFSPP-UHFFFAOYSA-N 0 3 289.379 2.649 20 30 CFEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccc(C#N)cn1 ZINC000593965319 349341600 /nfs/dbraw/zinc/34/16/00/349341600.db2.gz DEGGKHDEEMEJFP-HOTGVXAUSA-N 0 3 287.407 2.979 20 30 CFEDHN CC(C)[C@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033539 349358595 /nfs/dbraw/zinc/35/85/95/349358595.db2.gz RLLPWKAYEBCDCB-OAHLLOKOSA-N 0 3 258.365 2.544 20 30 CFEDHN CC[C@H](CC#N)NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000594006569 349352193 /nfs/dbraw/zinc/35/21/93/349352193.db2.gz HSZHBTLCQMYNNL-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN CC(C)[C@@H]1C[C@H](NCC2(C#N)CCCC2)CCO1 ZINC000593653282 349304941 /nfs/dbraw/zinc/30/49/41/349304941.db2.gz HIHIDEZIQSGKIT-KGLIPLIRSA-N 0 3 250.386 2.864 20 30 CFEDHN CC(C)(C)C[C@@H]1C[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000593660236 349306042 /nfs/dbraw/zinc/30/60/42/349306042.db2.gz DNULBFZSMHFDBJ-GXTWGEPZSA-N 0 3 283.379 2.515 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000414337215 233228135 /nfs/dbraw/zinc/22/81/35/233228135.db2.gz KTBHIYOJCKYSFL-IACUBPJLSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)CCCCC#N)CN1Cc1ccccc1 ZINC000594317707 349406561 /nfs/dbraw/zinc/40/65/61/349406561.db2.gz FFFLGBKDTGXTLI-NVXWUHKLSA-N 0 3 299.418 2.850 20 30 CFEDHN N#Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594059045 349367361 /nfs/dbraw/zinc/36/73/61/349367361.db2.gz ONDFKIQSEYBMPH-CVEARBPZSA-N 0 3 298.390 2.697 20 30 CFEDHN CC[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)N(CC)CC ZINC000594153090 349387144 /nfs/dbraw/zinc/38/71/44/349387144.db2.gz GMIJPQKQKXTPMQ-MRXNPFEDSA-N 0 3 285.391 2.521 20 30 CFEDHN Cc1nn(-c2ccc(C)cc2)cc1CNCCCC#N ZINC000594501456 349433246 /nfs/dbraw/zinc/43/32/46/349433246.db2.gz WPIPDOOUBNZMEC-UHFFFAOYSA-N 0 3 268.364 2.883 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N(CC1CC1)C1CCCCC1 ZINC000594440384 349422765 /nfs/dbraw/zinc/42/27/65/349422765.db2.gz YQBPZKDHJOXPFJ-INIZCTEOSA-N 0 3 291.439 2.969 20 30 CFEDHN Cc1cccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)c1C ZINC000594442110 349423760 /nfs/dbraw/zinc/42/37/60/349423760.db2.gz AUQLYKBPUYRNHK-ZBFHGGJFSA-N 0 3 287.407 2.892 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594445517 349424432 /nfs/dbraw/zinc/42/44/32/349424432.db2.gz GWHLFZBWGKCVDM-RDBSUJKOSA-N 0 3 279.428 2.729 20 30 CFEDHN Cc1cccc(C2(NC(=O)[C@@H](N)CCCCC#N)CCC2)c1 ZINC000594450064 349425711 /nfs/dbraw/zinc/42/57/11/349425711.db2.gz SQNGROLUWYIEFF-INIZCTEOSA-N 0 3 299.418 2.902 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000594455671 349426156 /nfs/dbraw/zinc/42/61/56/349426156.db2.gz CVEXZMQUQLFJAI-HOTGVXAUSA-N 0 3 291.439 2.969 20 30 CFEDHN C[C@H](CC[S@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497195 349431320 /nfs/dbraw/zinc/43/13/20/349431320.db2.gz DMGBWOASGZJGGJ-XCLFUZPHSA-N 0 3 292.448 2.734 20 30 CFEDHN C[C@@H](CC[S@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497190 349431390 /nfs/dbraw/zinc/43/13/90/349431390.db2.gz DMGBWOASGZJGGJ-RBZFPXEDSA-N 0 3 292.448 2.734 20 30 CFEDHN CC(C)N1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000594501097 349431977 /nfs/dbraw/zinc/43/19/77/349431977.db2.gz HRIFZBJQVCTZKG-MRXNPFEDSA-N 0 3 299.418 2.587 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000596972010 350009836 /nfs/dbraw/zinc/00/98/36/350009836.db2.gz QEBKTBVMHVSEPJ-WBVHZDCISA-N 0 3 299.418 2.565 20 30 CFEDHN COC(=O)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596978115 350011182 /nfs/dbraw/zinc/01/11/82/350011182.db2.gz TVSPDDZLUJONJE-UHFFFAOYSA-N 0 3 298.386 2.627 20 30 CFEDHN COC(=O)c1ccc(CNCCCC#N)cc1Cl ZINC000597081934 350026371 /nfs/dbraw/zinc/02/63/71/350026371.db2.gz JCVCOVAJQGNZBA-UHFFFAOYSA-N 0 3 266.728 2.520 20 30 CFEDHN COCCc1ccc(OC[C@H](C)NCCCC#N)cc1 ZINC000597083155 350027046 /nfs/dbraw/zinc/02/70/46/350027046.db2.gz SIVFDFXNIVEINU-AWEZNQCLSA-N 0 3 276.380 2.536 20 30 CFEDHN CC[C@H](CC#N)N[C@@H](C)CC(C)(C)CC(=O)OC ZINC000597088015 350029117 /nfs/dbraw/zinc/02/91/17/350029117.db2.gz XSEYNAKXTUDBRM-NWDGAFQWSA-N 0 3 254.374 2.636 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)CCCCC#N ZINC000594357514 349410505 /nfs/dbraw/zinc/41/05/05/349410505.db2.gz HEQPLAVSNFXZPG-UHFFFAOYSA-N 0 3 279.428 2.795 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)CCCCC#N)CCN1Cc1ccccc1 ZINC000594361236 349411290 /nfs/dbraw/zinc/41/12/90/349411290.db2.gz PCFSEDXXPLMSMF-RDJZCZTQSA-N 0 3 299.418 2.850 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)[C@@H](C#N)CC ZINC000594362097 349411306 /nfs/dbraw/zinc/41/13/06/349411306.db2.gz PYQDFGTZSZKJFX-LLVKDONJSA-N 0 3 274.368 2.592 20 30 CFEDHN COc1c(Cl)cccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594425888 349417807 /nfs/dbraw/zinc/41/78/07/349417807.db2.gz BJGOSLZQJQYHDW-NSHDSACASA-N 0 3 295.770 2.698 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1 ZINC000594426090 349417980 /nfs/dbraw/zinc/41/79/80/349417980.db2.gz MVDRYMPVHRGTON-LBPRGKRZSA-N 0 3 265.744 2.690 20 30 CFEDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594428407 349419049 /nfs/dbraw/zinc/41/90/49/349419049.db2.gz NIWJGOPCKPGGFV-DZGCQCFKSA-N 0 3 273.380 2.584 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000594429932 349419523 /nfs/dbraw/zinc/41/95/23/349419523.db2.gz WRIHKGACSFXHGP-WBVHZDCISA-N 0 3 299.418 2.634 20 30 CFEDHN Cc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594429389 349419595 /nfs/dbraw/zinc/41/95/95/349419595.db2.gz SUIYQJIHIAMHKN-ZBFHGGJFSA-N 0 3 287.407 2.926 20 30 CFEDHN CCN(Cc1ccccc1C)C(=O)[C@@H](N)CCCCC#N ZINC000594429091 349420000 /nfs/dbraw/zinc/42/00/00/349420000.db2.gz QOORRWDRZGZIOG-INIZCTEOSA-N 0 3 287.407 2.755 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000594428758 349420112 /nfs/dbraw/zinc/42/01/12/349420112.db2.gz NYERUFNLXKCZCZ-HOTGVXAUSA-N 0 3 291.439 2.969 20 30 CFEDHN CC(C)c1ccc(CNC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594429423 349420132 /nfs/dbraw/zinc/42/01/32/349420132.db2.gz UAWBSSARMVAZAK-MRXNPFEDSA-N 0 3 287.407 2.837 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000594431674 349420864 /nfs/dbraw/zinc/42/08/64/349420864.db2.gz PODWIPKELJRYLC-HUUCEWRRSA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)C[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594433643 349420945 /nfs/dbraw/zinc/42/09/45/349420945.db2.gz QBCOUOBWXRMFOU-GJZGRUSLSA-N 0 3 279.428 2.825 20 30 CFEDHN CCNc1cc(C)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594435868 349421734 /nfs/dbraw/zinc/42/17/34/349421734.db2.gz GAMKGDKUXBKDDY-ZDUSSCGKSA-N 0 3 288.395 2.777 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000668739979 539744611 /nfs/dbraw/zinc/74/46/11/539744611.db2.gz QNFMLHVCRBZBOA-PBHICJAKSA-N 0 3 275.392 2.702 20 30 CFEDHN CN(C)C[C@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 ZINC000597137280 350037223 /nfs/dbraw/zinc/03/72/23/350037223.db2.gz PENOXWBAOHEEHP-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CCCN(CCN(C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597159196 350041627 /nfs/dbraw/zinc/04/16/27/350041627.db2.gz IZQZRHOJEZBHQF-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN COc1ccc(C[C@@H](C)CN2CC(CC#N)C2)cc1F ZINC000597203601 350054035 /nfs/dbraw/zinc/05/40/35/350054035.db2.gz MEIHAKDEJCVAEW-GFCCVEGCSA-N 0 3 276.355 2.858 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(OC)cc1OC ZINC000090883598 180052783 /nfs/dbraw/zinc/05/27/83/180052783.db2.gz DNCWPGKVDPZAIV-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccccc1N(C)C ZINC000090883507 180053056 /nfs/dbraw/zinc/05/30/56/180053056.db2.gz RQNPLGPTFIHLPC-CQSZACIVSA-N 0 3 262.397 2.996 20 30 CFEDHN N#Cc1csc(CNC[C@@H](CO)c2ccc(F)cc2)c1 ZINC000414529425 233283053 /nfs/dbraw/zinc/28/30/53/233283053.db2.gz PBDDTPBAXPBWQU-ZDUSSCGKSA-N 0 3 290.363 2.625 20 30 CFEDHN CCCN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCN(C)C1 ZINC000597797725 350136818 /nfs/dbraw/zinc/13/68/18/350136818.db2.gz GIINNEAVBUEUNP-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)[C@H](C(=O)N1CCC[C@@H](CC#N)C1)N1CCCCC1 ZINC000597913214 350156538 /nfs/dbraw/zinc/15/65/38/350156538.db2.gz ZMGAKULIBARCDT-JKSUJKDBSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCCSCCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000597973075 350167156 /nfs/dbraw/zinc/16/71/56/350167156.db2.gz RAFVJAOGIQOAKM-MCIONIFRSA-N 0 3 284.469 2.673 20 30 CFEDHN CN(C)[C@@H](CNc1cnccc1C#N)c1ccsc1 ZINC000271308543 191064705 /nfs/dbraw/zinc/06/47/05/191064705.db2.gz SAPBSQXGBYLDRY-AWEZNQCLSA-N 0 3 272.377 2.730 20 30 CFEDHN Cc1cc([C@H]2CCN(C(=O)C(C)C#N)C2)c(O)cc1Cl ZINC000598328842 350236297 /nfs/dbraw/zinc/23/62/97/350236297.db2.gz HSQDTKVRWTVPIQ-QWRGUYRKSA-N 0 3 292.766 2.830 20 30 CFEDHN COCC#CCN(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000677818688 539793206 /nfs/dbraw/zinc/79/32/06/539793206.db2.gz TZPXWQJEOFXJKG-HNNXBMFYSA-N 0 3 287.403 2.946 20 30 CFEDHN CC(C)Oc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598699533 350311922 /nfs/dbraw/zinc/31/19/22/350311922.db2.gz GAJXERGTOHBQEN-OAHLLOKOSA-N 0 3 290.407 2.864 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC2(C1)CCCCC2 ZINC000598701459 350312646 /nfs/dbraw/zinc/31/26/46/350312646.db2.gz KTVMVTWIHCWOOT-CYBMUJFWSA-N 0 3 250.386 2.553 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(OC(F)F)cc1 ZINC000598703212 350313483 /nfs/dbraw/zinc/31/34/83/350313483.db2.gz DSMGIMYYJXGSHK-GFCCVEGCSA-N 0 3 298.333 2.678 20 30 CFEDHN CCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1F ZINC000598721223 350317961 /nfs/dbraw/zinc/31/79/61/350317961.db2.gz UJNYFLDGIDBVLP-ZDUSSCGKSA-N 0 3 294.370 2.615 20 30 CFEDHN CCC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccn1 ZINC000598721784 350318757 /nfs/dbraw/zinc/31/87/57/350318757.db2.gz ZPZKLILHWJCOEK-KGLIPLIRSA-N 0 3 275.396 2.813 20 30 CFEDHN CC(C)(C)c1ccncc1CNC[C@H](O)CC(C)(C)C#N ZINC000598726761 350320031 /nfs/dbraw/zinc/32/00/31/350320031.db2.gz AWAKFGAURWRLML-CQSZACIVSA-N 0 3 289.423 2.769 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(C#N)c(Cl)c1 ZINC000598729057 350321261 /nfs/dbraw/zinc/32/12/61/350321261.db2.gz YWIVCFJVLINEJX-ZDUSSCGKSA-N 0 3 291.782 2.602 20 30 CFEDHN C[C@@H]1Cc2ccccc2CN1C[C@H](O)CC(C)(C)C#N ZINC000598592373 350288380 /nfs/dbraw/zinc/28/83/80/350288380.db2.gz KCRIDFNQCVPYNZ-CZUORRHYSA-N 0 3 272.392 2.734 20 30 CFEDHN Cn1cccc1[C@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598595081 350289173 /nfs/dbraw/zinc/28/91/73/350289173.db2.gz NGWWVQDTUIHLAS-GOEBONIOSA-N 0 3 289.423 2.853 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000598600787 350291119 /nfs/dbraw/zinc/29/11/19/350291119.db2.gz JZYNBBHEUWNTAV-SWLSCSKDSA-N 0 3 271.364 2.510 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598599931 350291166 /nfs/dbraw/zinc/29/11/66/350291166.db2.gz LKBVNUZYHFIVQQ-CMPLNLGQSA-N 0 3 282.334 2.916 20 30 CFEDHN Cc1csc([C@H](NC[C@@H](O)CC(C)(C)C#N)C2CC2)n1 ZINC000598601404 350291337 /nfs/dbraw/zinc/29/13/37/350291337.db2.gz KISQJHJIMBXJKZ-QWHCGFSZSA-N 0 3 293.436 2.793 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](CCC#N)c1ccccc1 ZINC000598602563 350292206 /nfs/dbraw/zinc/29/22/06/350292206.db2.gz TWYGZIXMGPUGIX-HZPDHXFCSA-N 0 3 285.391 2.922 20 30 CFEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598611156 350294143 /nfs/dbraw/zinc/29/41/43/350294143.db2.gz GGTLGNDBUUSVSH-RYUDHWBXSA-N 0 3 281.425 2.793 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC=C(c2ccco2)C1 ZINC000598617588 350294870 /nfs/dbraw/zinc/29/48/70/350294870.db2.gz TYZAEXSUWWXZBW-AWEZNQCLSA-N 0 3 274.364 2.669 20 30 CFEDHN C[C@H](NCc1cccc(C#N)n1)[C@H](c1ccccc1)N(C)C ZINC000598894898 350345729 /nfs/dbraw/zinc/34/57/29/350345729.db2.gz IHIFDTBEABXWAU-KBXCAEBGSA-N 0 3 294.402 2.734 20 30 CFEDHN N#CCCCCN1CCc2nccc(Br)c2C1 ZINC000598946876 350348007 /nfs/dbraw/zinc/34/80/07/350348007.db2.gz WMEQTUNIMLSCRZ-UHFFFAOYSA-N 0 3 294.196 2.896 20 30 CFEDHN C=C(CC)CNCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598978263 350353073 /nfs/dbraw/zinc/35/30/73/350353073.db2.gz LOAKNJDVEVICLS-UHFFFAOYSA-N 0 3 264.369 2.864 20 30 CFEDHN CCOC(=O)c1[nH]c(C)c(CNCC(C)(C)CC#N)c1C ZINC000598981853 350353347 /nfs/dbraw/zinc/35/33/47/350353347.db2.gz RPTMPVLWEXFJTB-UHFFFAOYSA-N 0 3 291.395 2.838 20 30 CFEDHN CC(C)CC[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000598991324 350355773 /nfs/dbraw/zinc/35/57/73/350355773.db2.gz NTGZDLFADYDOMK-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000598996079 350356376 /nfs/dbraw/zinc/35/63/76/350356376.db2.gz BGKFQSJARWTJCL-CVEARBPZSA-N 0 3 270.376 2.899 20 30 CFEDHN CC1(C)CCC[C@](CO)(NCc2ccc(C#N)o2)C1 ZINC000598995069 350356878 /nfs/dbraw/zinc/35/68/78/350356878.db2.gz OSQSGZSFOWLUOZ-HNNXBMFYSA-N 0 3 262.353 2.572 20 30 CFEDHN Cc1cccc2c1C[C@H](N[C@@H]1CC[C@H](C#N)C1)CO2 ZINC000599066808 350368937 /nfs/dbraw/zinc/36/89/37/350368937.db2.gz ZMZAEKUPBAPYEM-MJBXVCDLSA-N 0 3 256.349 2.580 20 30 CFEDHN CC[C@H](NCc1ccc[nH]c1=O)c1ccc(C#N)cc1 ZINC000599088736 350374503 /nfs/dbraw/zinc/37/45/03/350374503.db2.gz UEYUFLISDYFBGH-HNNXBMFYSA-N 0 3 267.332 2.900 20 30 CFEDHN CO[C@H]1C[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000599093431 350375380 /nfs/dbraw/zinc/37/53/80/350375380.db2.gz YORDUTLELGWBMN-WCFLWFBJSA-N 0 3 262.328 2.773 20 30 CFEDHN COC(=O)C[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599279195 350405532 /nfs/dbraw/zinc/40/55/32/350405532.db2.gz NMWQVFUHCFWCMQ-INIZCTEOSA-N 0 3 286.375 2.784 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2CCO)cc1C#N ZINC000599283844 350405846 /nfs/dbraw/zinc/40/58/46/350405846.db2.gz FGPALNKDBPDJHW-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000599184750 350391943 /nfs/dbraw/zinc/39/19/43/350391943.db2.gz ODKAJVOYVVVQOG-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN Cc1ccc(CN2CCN(C)C[C@H]2C(C)C)cc1C#N ZINC000599427339 350434624 /nfs/dbraw/zinc/43/46/24/350434624.db2.gz NARMJHVLUMZNET-KRWDZBQOSA-N 0 3 271.408 2.639 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1C#N ZINC000599287669 350407317 /nfs/dbraw/zinc/40/73/17/350407317.db2.gz NJMROUGSHMQFBU-QGZVFWFLSA-N 0 3 280.375 2.900 20 30 CFEDHN COCC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599291971 350407554 /nfs/dbraw/zinc/40/75/54/350407554.db2.gz ATSBBYJORCCECB-UHFFFAOYSA-N 0 3 258.365 2.725 20 30 CFEDHN Cc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1C#N ZINC000599319626 350413333 /nfs/dbraw/zinc/41/33/33/350413333.db2.gz OQJHNAMVOUWUMN-JKSUJKDBSA-N 0 3 288.416 2.573 20 30 CFEDHN Cc1cccnc1[C@@H](NC[C@@H](O)CC1(C#N)CC1)C(C)C ZINC000599327448 350414995 /nfs/dbraw/zinc/41/49/95/350414995.db2.gz IIPRXMSQSGRMNK-GJZGRUSLSA-N 0 3 287.407 2.732 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1C#N ZINC000599330212 350415810 /nfs/dbraw/zinc/41/58/10/350415810.db2.gz VTSGLJCLBSYYFR-OAHLLOKOSA-N 0 3 280.375 2.969 20 30 CFEDHN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1nc(C)cs1 ZINC000599360237 350423119 /nfs/dbraw/zinc/42/31/19/350423119.db2.gz UWUDLNZDORJJQR-VXGBXAGGSA-N 0 3 279.409 2.547 20 30 CFEDHN C[C@@H]1C[C@H]1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000599366174 350424789 /nfs/dbraw/zinc/42/47/89/350424789.db2.gz LHDGAEKQNDNPJU-UKPHBRMFSA-N 0 3 287.382 2.664 20 30 CFEDHN Cc1ccc(CN2[C@H](C)CC(O)C[C@H]2C)cc1C#N ZINC000599378220 350427309 /nfs/dbraw/zinc/42/73/09/350427309.db2.gz IJVNOTCEPUYVOU-CHWSQXEVSA-N 0 3 258.365 2.600 20 30 CFEDHN Cc1ccc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1C#N ZINC000599378222 350427423 /nfs/dbraw/zinc/42/74/23/350427423.db2.gz IJVNOTCEPUYVOU-YWVIFJGQSA-N 0 3 258.365 2.600 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C)c(C#N)c2)CCOC1 ZINC000599415742 350432464 /nfs/dbraw/zinc/43/24/64/350432464.db2.gz QRGZOBAXEYXKEE-MRXNPFEDSA-N 0 3 258.365 2.916 20 30 CFEDHN C=CCCCCN(C)Cc1ccc(C(=O)OC)cn1 ZINC000599450305 350440391 /nfs/dbraw/zinc/44/03/91/350440391.db2.gz QIVIMGSAXWFMRW-UHFFFAOYSA-N 0 3 262.353 2.656 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cc(C#N)ccc1F ZINC000599627614 350467179 /nfs/dbraw/zinc/46/71/79/350467179.db2.gz XZKVDXIVQMOEIA-JNIYBQFBSA-N 0 3 262.328 2.599 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@@H]2CCC[C@@H]21 ZINC000599651493 350472920 /nfs/dbraw/zinc/47/29/20/350472920.db2.gz CHRPKRZFWLMKQO-MGPQQGTHSA-N 0 3 278.396 2.590 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1C[C@@H](O)C1 ZINC000599655526 350473948 /nfs/dbraw/zinc/47/39/48/350473948.db2.gz NPZZWWSNFRZVMP-BJHJDKERSA-N 0 3 298.308 2.780 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1ccc(C#N)c(F)c1 ZINC000599672274 350477476 /nfs/dbraw/zinc/47/74/76/350477476.db2.gz CHJGGLOHCZLBBP-UHFFFAOYSA-N 0 3 264.344 2.680 20 30 CFEDHN COCC[C@H](C)N1CCc2c(CC#N)cccc2C1 ZINC000599678310 350479478 /nfs/dbraw/zinc/47/94/78/350479478.db2.gz HNFMSXXYVUEAQT-ZDUSSCGKSA-N 0 3 258.365 2.536 20 30 CFEDHN N#CCc1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)C2 ZINC000599677770 350479626 /nfs/dbraw/zinc/47/96/26/350479626.db2.gz KVCCMXLRCSBQDP-BBRMVZONSA-N 0 3 265.360 2.803 20 30 CFEDHN CC(C)CC[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599679040 350480879 /nfs/dbraw/zinc/48/08/79/350480879.db2.gz VEEWNVRRRHFTHW-KRWDZBQOSA-N 0 3 286.419 2.908 20 30 CFEDHN CCO[C@H](CN1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599683258 350482019 /nfs/dbraw/zinc/48/20/19/350482019.db2.gz PPFPNGUOSHVQKL-GOSISDBHSA-N 0 3 284.403 2.926 20 30 CFEDHN CCO[C@@H](CN1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599683259 350482030 /nfs/dbraw/zinc/48/20/30/350482030.db2.gz PPFPNGUOSHVQKL-SFHVURJKSA-N 0 3 284.403 2.926 20 30 CFEDHN C/C=C\C[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599688041 350483118 /nfs/dbraw/zinc/48/31/18/350483118.db2.gz BMHUIKLIIBPHAW-LPUOJRKPSA-N 0 3 289.423 2.616 20 30 CFEDHN C/C=C/C[C@@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000599691179 350483730 /nfs/dbraw/zinc/48/37/30/350483730.db2.gz QXIKDJMIUSXTRD-RKIWFNSJSA-N 0 3 291.439 2.673 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600186076 350534542 /nfs/dbraw/zinc/53/45/42/350534542.db2.gz OJPJSKAKZRJVOE-CMPLNLGQSA-N 0 3 278.302 2.830 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000600508449 350560095 /nfs/dbraw/zinc/56/00/95/350560095.db2.gz KQSCGHFJIMFUNV-ZANVPECISA-N 0 3 262.740 2.993 20 30 CFEDHN Cc1cc(CNC[C@@H](O)CC2(C#N)CC2)ccc1Cl ZINC000600733877 350603518 /nfs/dbraw/zinc/60/35/18/350603518.db2.gz GETVNRCIIWJHJH-ZDUSSCGKSA-N 0 3 278.783 2.793 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2cccc(C(F)(F)F)c2)CC1 ZINC000600713512 350600152 /nfs/dbraw/zinc/60/01/52/350600152.db2.gz AUAOJAWUJCTMAK-ZDUSSCGKSA-N 0 3 298.308 2.850 20 30 CFEDHN C[C@H](C#N)n1cc(-c2cccc(OCCN(C)C)c2)cn1 ZINC000600778921 350610166 /nfs/dbraw/zinc/61/01/66/350610166.db2.gz JTEWSGSKOQCNPP-CYBMUJFWSA-N 0 3 284.363 2.575 20 30 CFEDHN CCN(C(=O)[C@@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000110061205 186284262 /nfs/dbraw/zinc/28/42/62/186284262.db2.gz KKZCZZQYXLYWCL-CJNGLKHVSA-N 0 3 285.391 2.562 20 30 CFEDHN C=CCSCCNCc1ccnn1CC1CCC1 ZINC000601105482 350669391 /nfs/dbraw/zinc/66/93/91/350669391.db2.gz HZKIRGJCPLQVQK-UHFFFAOYSA-N 0 3 265.426 2.692 20 30 CFEDHN N#CCCCCNCc1ccncc1Br ZINC000601105847 350670044 /nfs/dbraw/zinc/67/00/44/350670044.db2.gz OQARYXZZRFUVSB-UHFFFAOYSA-N 0 3 268.158 2.628 20 30 CFEDHN COc1cncc(CNCc2ccc(CC#N)cc2)c1C ZINC000601129909 350676704 /nfs/dbraw/zinc/67/67/04/350676704.db2.gz OBAYDRMPJGDPKW-UHFFFAOYSA-N 0 3 281.359 2.755 20 30 CFEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@@H]2CCCO2)o1 ZINC000601156649 350684494 /nfs/dbraw/zinc/68/44/94/350684494.db2.gz UWDHPBLBDBJRSY-LSDHHAIUSA-N 0 3 260.337 2.589 20 30 CFEDHN COCC#CCN[C@@H](C)c1ccc(Br)cc1 ZINC000309666910 539805253 /nfs/dbraw/zinc/80/52/53/539805253.db2.gz UOWQYDIPZDBJHV-NSHDSACASA-N 0 3 282.181 2.750 20 30 CFEDHN CCOC(=O)C1(C)CC(NCc2ccc(CC#N)cc2)C1 ZINC000601283099 350717168 /nfs/dbraw/zinc/71/71/68/350717168.db2.gz NXBFJNJLDRHLPV-UHFFFAOYSA-N 0 3 286.375 2.574 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)[C@H](C)O1 ZINC000601298440 350719029 /nfs/dbraw/zinc/71/90/29/350719029.db2.gz HXZPNYRVBCRMPO-OVTCNUJSSA-N 0 3 256.349 2.701 20 30 CFEDHN N#CCCN1CCN([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000601316564 350723286 /nfs/dbraw/zinc/72/32/86/350723286.db2.gz MONDGRSLABMAFG-QZTJIDSGSA-N 0 3 283.419 2.854 20 30 CFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1CC#N ZINC000601391239 350729118 /nfs/dbraw/zinc/72/91/18/350729118.db2.gz NHJXFOHCXDNVCT-AWEZNQCLSA-N 0 3 299.418 2.555 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601521387 350736819 /nfs/dbraw/zinc/73/68/19/350736819.db2.gz XXAWEOMCSSSSOT-UHFFFAOYSA-N 0 3 297.402 2.813 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccccc1CC#N ZINC000601542063 350738287 /nfs/dbraw/zinc/73/82/87/350738287.db2.gz PDBUJBSHKADLQV-INIZCTEOSA-N 0 3 299.418 2.603 20 30 CFEDHN CNCc1cccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000601565296 350740029 /nfs/dbraw/zinc/74/00/29/350740029.db2.gz JJKJJORINMSOOF-DZGCQCFKSA-N 0 3 286.379 2.562 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000601567098 350740833 /nfs/dbraw/zinc/74/08/33/350740833.db2.gz QGIMVHZKVRNLSX-UKRRQHHQSA-N 0 3 286.379 2.610 20 30 CFEDHN Cc1scc(CNC[C@@H](O)CC(C)(C)C#N)c1C ZINC000601966342 350820958 /nfs/dbraw/zinc/82/09/58/350820958.db2.gz COZZMAYXUCLFIP-ZDUSSCGKSA-N 0 3 266.410 2.755 20 30 CFEDHN CN(C)[C@H](CC(=O)N(C)[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000601818292 350784372 /nfs/dbraw/zinc/78/43/72/350784372.db2.gz LFLHSXFPDNULGE-IXDOHACOSA-N 0 3 299.418 2.830 20 30 CFEDHN C[C@@H](CC1CCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601869814 350795407 /nfs/dbraw/zinc/79/54/07/350795407.db2.gz KZLNDTXFOMMWBZ-SUMWQHHRSA-N 0 3 295.386 2.935 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@H](CCO)c1ccccc1 ZINC000602006484 350829268 /nfs/dbraw/zinc/82/92/68/350829268.db2.gz LKMPATSACNZNPF-HNNXBMFYSA-N 0 3 298.361 2.953 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000602011522 350830652 /nfs/dbraw/zinc/83/06/52/350830652.db2.gz HIDSVJOWPMYTCZ-MAZHCROVSA-N 0 3 274.339 2.745 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602017417 350833168 /nfs/dbraw/zinc/83/31/68/350833168.db2.gz PYQPDNHNYRVUAW-XJKSGUPXSA-N 0 3 274.339 2.768 20 30 CFEDHN CC1(C)OCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602028817 350835652 /nfs/dbraw/zinc/83/56/52/350835652.db2.gz QAHZUWIHXAYBSU-LBPRGKRZSA-N 0 3 262.328 2.602 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cccc(C#N)n1 ZINC000602482339 350900671 /nfs/dbraw/zinc/90/06/71/350900671.db2.gz FLCFRVNLCSCSMZ-HZPDHXFCSA-N 0 3 287.407 2.979 20 30 CFEDHN COc1cc(OC)c(OC)cc1CNC[C@@H](C)CCC#N ZINC000602503573 350907435 /nfs/dbraw/zinc/90/74/35/350907435.db2.gz LVDHHELKBOREKO-LBPRGKRZSA-N 0 3 292.379 2.742 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccsc1 ZINC000602507938 350908839 /nfs/dbraw/zinc/90/88/39/350908839.db2.gz XMIHBGBFXQKLFW-LBPRGKRZSA-N 0 3 264.394 2.937 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000602512584 350911529 /nfs/dbraw/zinc/91/15/29/350911529.db2.gz VMXAXIVNUOZXJT-HNNXBMFYSA-N 0 3 292.386 2.569 20 30 CFEDHN N#Cc1cccc(CNCCCOc2ccc(F)cc2)n1 ZINC000602524225 350914162 /nfs/dbraw/zinc/91/41/62/350914162.db2.gz LRPCYQGWMYAWRD-UHFFFAOYSA-N 0 3 285.322 2.651 20 30 CFEDHN N#CC1CCC(NCc2nccn2CC(F)(F)F)CC1 ZINC000602535483 350917006 /nfs/dbraw/zinc/91/70/06/350917006.db2.gz ODLQKYJVJPPMDF-UHFFFAOYSA-N 0 3 286.301 2.617 20 30 CFEDHN CCOC1CC(CNCc2ccc(C#N)cc2F)C1 ZINC000602537575 350917705 /nfs/dbraw/zinc/91/77/05/350917705.db2.gz GMFOAGRHFMKCSJ-UHFFFAOYSA-N 0 3 262.328 2.602 20 30 CFEDHN Cc1ccccc1O[C@@H](C)CNCc1cccc(C#N)n1 ZINC000602555820 350923051 /nfs/dbraw/zinc/92/30/51/350923051.db2.gz AMWIQIGXXWMQRJ-AWEZNQCLSA-N 0 3 281.359 2.819 20 30 CFEDHN Cc1cccc(C)c1CCNCc1cccc(C#N)n1 ZINC000602571688 350929324 /nfs/dbraw/zinc/92/93/24/350929324.db2.gz BUMYIKJDHKTVSN-UHFFFAOYSA-N 0 3 265.360 2.902 20 30 CFEDHN Cc1ccsc1CCNCc1cccc(C#N)n1 ZINC000602584216 350935517 /nfs/dbraw/zinc/93/55/17/350935517.db2.gz YHJYYTNLHAPWKO-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN CC(C)c1ccc([C@@H](N)CNC(=O)C2(C#N)CCC2)cc1 ZINC000602427398 350878058 /nfs/dbraw/zinc/87/80/58/350878058.db2.gz GQPYGMKBYQGITF-HNNXBMFYSA-N 0 3 285.391 2.620 20 30 CFEDHN COCCN(CCC[C@@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602445924 350885857 /nfs/dbraw/zinc/88/58/57/350885857.db2.gz YRWSJWNRVRSTNW-QGZVFWFLSA-N 0 3 288.391 2.576 20 30 CFEDHN C[C@H](CCC#N)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000602464065 350891648 /nfs/dbraw/zinc/89/16/48/350891648.db2.gz IQOXOZRVUCOKGJ-ZBFHGGJFSA-N 0 3 285.391 2.664 20 30 CFEDHN C=CCCCN(C)Cc1ccc(C(=O)OCC)[nH]1 ZINC000602474069 350895691 /nfs/dbraw/zinc/89/56/91/350895691.db2.gz PGCGMFMDDIBKIL-UHFFFAOYSA-N 0 3 250.342 2.589 20 30 CFEDHN CCCN(Cc1cccc(C#N)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000602475795 350896920 /nfs/dbraw/zinc/89/69/20/350896920.db2.gz ZLZDNYFUSUGMKF-ZACQAIPSSA-N 0 3 299.418 2.979 20 30 CFEDHN C[C@H](CCC#N)CN1CCCC[C@@H]1c1ccnn1C ZINC000602646248 350960103 /nfs/dbraw/zinc/96/01/03/350960103.db2.gz BRSWFGPWUGFYRM-UKRRQHHQSA-N 0 3 260.385 2.887 20 30 CFEDHN C[C@@H](CCC#N)CN1CCCC[C@H]1c1ccnn1C ZINC000602646249 350960118 /nfs/dbraw/zinc/96/01/18/350960118.db2.gz BRSWFGPWUGFYRM-ZFWWWQNUSA-N 0 3 260.385 2.887 20 30 CFEDHN C=CCCC(C)(C)CNCc1cc(C(=O)OCC)no1 ZINC000602735266 351007453 /nfs/dbraw/zinc/00/74/53/351007453.db2.gz VOVJUYQISMVTKD-UHFFFAOYSA-N 0 3 280.368 2.933 20 30 CFEDHN CCCN(CCN1CCCCC1)Cc1cccc(C#N)n1 ZINC000602656199 350962692 /nfs/dbraw/zinc/96/26/92/350962692.db2.gz SAQDWTLQXJKGQX-UHFFFAOYSA-N 0 3 286.423 2.651 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)n1 ZINC000602668882 350969088 /nfs/dbraw/zinc/96/90/88/350969088.db2.gz VFSRPQZWUILHLG-HUUCEWRRSA-N 0 3 285.391 2.592 20 30 CFEDHN CO[C@@H](CNCC(C)(C)CC#N)Cc1ccccc1 ZINC000602691692 350981214 /nfs/dbraw/zinc/98/12/14/350981214.db2.gz QKAFAUAXYFURRN-OAHLLOKOSA-N 0 3 260.381 2.774 20 30 CFEDHN C[C@@]1(CN2CC[C@](O)(CC#N)C2)C[C@H]1c1ccccc1 ZINC000602696906 350984442 /nfs/dbraw/zinc/98/44/42/350984442.db2.gz LSBVWZUBBYBMSH-YESZJQIVSA-N 0 3 270.376 2.531 20 30 CFEDHN CO[C@H](CNCc1ccc(CC#N)cc1)CC(C)C ZINC000602697826 350984468 /nfs/dbraw/zinc/98/44/68/350984468.db2.gz AURCTLMNTVXTNW-INIZCTEOSA-N 0 3 260.381 2.903 20 30 CFEDHN N#CC1(CN[C@H]2CCc3cccnc3CC2)CCC1 ZINC000602700932 350986642 /nfs/dbraw/zinc/98/66/42/350986642.db2.gz XVJFZGMIDBCOHK-AWEZNQCLSA-N 0 3 255.365 2.612 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc3nccnc3c2)C1 ZINC000602705449 350990061 /nfs/dbraw/zinc/99/00/61/350990061.db2.gz GDDGDXHTIQZUAT-CYBMUJFWSA-N 0 3 266.348 2.755 20 30 CFEDHN N#CC1CCC(N[C@H](CO)c2ccc(F)cc2F)CC1 ZINC000602722588 351000473 /nfs/dbraw/zinc/00/04/73/351000473.db2.gz OKJQRTAZWKHNDX-MBRGGSNBSA-N 0 3 280.318 2.670 20 30 CFEDHN CS[C@@H](CNCc1cccc(C#N)n1)C(C)(C)C ZINC000602609037 350944305 /nfs/dbraw/zinc/94/43/05/350944305.db2.gz PROAIVMVXSBBTD-ZDUSSCGKSA-N 0 3 263.410 2.821 20 30 CFEDHN C[C@H](CCC#N)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000602610934 350945139 /nfs/dbraw/zinc/94/51/39/350945139.db2.gz KGXKSSNBJDEKDJ-YPMHNXCESA-N 0 3 292.345 2.952 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000602610921 350945286 /nfs/dbraw/zinc/94/52/86/350945286.db2.gz KGXKSSNBJDEKDJ-AAEUAGOBSA-N 0 3 292.345 2.952 20 30 CFEDHN Cn1nc(CNC2CCC(C#N)CC2)c2ccccc21 ZINC000602615992 350947206 /nfs/dbraw/zinc/94/72/06/350947206.db2.gz KASPZDKBZQELFX-UHFFFAOYSA-N 0 3 268.364 2.745 20 30 CFEDHN C[C@@H](CN(C)C(=O)[C@H](N)CCCCC#N)C(C)(C)C ZINC000602625427 350950508 /nfs/dbraw/zinc/95/05/08/350950508.db2.gz ONUKVOXTFOZTBE-QWHCGFSZSA-N 0 3 267.417 2.538 20 30 CFEDHN C[C@@H](CN(C)C(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000602625429 350950979 /nfs/dbraw/zinc/95/09/79/350950979.db2.gz ONUKVOXTFOZTBE-STQMWFEESA-N 0 3 267.417 2.538 20 30 CFEDHN CCCCCNC(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602764172 351017176 /nfs/dbraw/zinc/01/71/76/351017176.db2.gz TZKAVJWJMJWVKC-UHFFFAOYSA-N 0 3 291.439 2.699 20 30 CFEDHN COCCN(CCc1ccccc1)CC1(CC#N)CC1 ZINC000602765382 351017247 /nfs/dbraw/zinc/01/72/47/351017247.db2.gz KRPFWZDAQAYBPI-UHFFFAOYSA-N 0 3 272.392 2.871 20 30 CFEDHN Cc1cc(C2CCN(CC3(CC#N)CC3)CC2)n[nH]1 ZINC000602795669 351028369 /nfs/dbraw/zinc/02/83/69/351028369.db2.gz CCTLACDDBXFMCZ-UHFFFAOYSA-N 0 3 258.369 2.591 20 30 CFEDHN Cc1cc(C2CCN(CC3(CC#N)CC3)CC2)[nH]n1 ZINC000602795669 351028372 /nfs/dbraw/zinc/02/83/72/351028372.db2.gz CCTLACDDBXFMCZ-UHFFFAOYSA-N 0 3 258.369 2.591 20 30 CFEDHN Cc1noc(C[C@@H](NCC2(CC#N)CC2)c2ccccc2)n1 ZINC000602822873 351037415 /nfs/dbraw/zinc/03/74/15/351037415.db2.gz SYXVXXFPTVWNCB-OAHLLOKOSA-N 0 3 296.374 2.945 20 30 CFEDHN CCN(C#N)CCN[C@@H](CCCC#N)c1ccccc1 ZINC000602843003 351043107 /nfs/dbraw/zinc/04/31/07/351043107.db2.gz XKECOPRMPPPMFY-INIZCTEOSA-N 0 3 270.380 2.814 20 30 CFEDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CC2(CC#N)CC2)C1 ZINC000602847123 351044095 /nfs/dbraw/zinc/04/40/95/351044095.db2.gz SDXYKFUFLLSGIA-UONOGXRCSA-N 0 3 292.423 2.980 20 30 CFEDHN C[C@@H]1CN([C@@H]2C=CCCCCC2)C[C@H](C)N1CC#N ZINC000602851976 351044997 /nfs/dbraw/zinc/04/49/97/351044997.db2.gz ZJCLOJUBSNJUGK-OWCLPIDISA-N 0 3 261.413 2.793 20 30 CFEDHN C[C@@H]1CN(CCC2=CCCCC2)C[C@H](C)N1CC#N ZINC000602851918 351045294 /nfs/dbraw/zinc/04/52/94/351045294.db2.gz YIMDCPZPKGVJCZ-GASCZTMLSA-N 0 3 261.413 2.795 20 30 CFEDHN C[C@@H]1CN(CCCCC2CCOCC2)C[C@@H](C)N1CC#N ZINC000602854379 351045868 /nfs/dbraw/zinc/04/58/68/351045868.db2.gz OKOLHGWRAWICJZ-HZPDHXFCSA-N 0 3 293.455 2.501 20 30 CFEDHN C[C@H]1CN(CCCCc2ccccc2)C[C@H](C)N1CC#N ZINC000602852864 351046467 /nfs/dbraw/zinc/04/64/67/351046467.db2.gz DKOHRWQXFUWMAT-IRXDYDNUSA-N 0 3 285.435 2.927 20 30 CFEDHN COc1cccc(OC)c1OCCCCN[C@H](C)CC#N ZINC000602869027 351052738 /nfs/dbraw/zinc/05/27/38/351052738.db2.gz FJBGRDUMZGCWMQ-CYBMUJFWSA-N 0 3 292.379 2.755 20 30 CFEDHN CN(C)C[C@H]1COC2(CCCC2)CN1CCC(C)(C)C#N ZINC000602905925 351062529 /nfs/dbraw/zinc/06/25/29/351062529.db2.gz HJYKRLLBXNUKPT-HNNXBMFYSA-N 0 3 293.455 2.501 20 30 CFEDHN CN(CCCC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602979922 351081143 /nfs/dbraw/zinc/08/11/43/351081143.db2.gz JEKJRLINGBORCC-GJZGRUSLSA-N 0 3 250.386 2.817 20 30 CFEDHN CC[C@H](C)N1CCN(c2ccc(C#N)cc2COC)CC1 ZINC000603390836 351154551 /nfs/dbraw/zinc/15/45/51/351154551.db2.gz DJBNKJRIHZOVNG-AWEZNQCLSA-N 0 3 287.407 2.625 20 30 CFEDHN Cc1nc(C#N)n(CCN(C)Cc2ccccc2)c1C ZINC000603425218 351161723 /nfs/dbraw/zinc/16/17/23/351161723.db2.gz BTYZGXSRYNUCHK-UHFFFAOYSA-N 0 3 268.364 2.504 20 30 CFEDHN N#Cc1ccccc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000603855111 351186563 /nfs/dbraw/zinc/18/65/63/351186563.db2.gz FDXKSWPUMZVBFG-INIZCTEOSA-N 0 3 285.391 2.614 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000605845971 351257096 /nfs/dbraw/zinc/25/70/96/351257096.db2.gz AGSXMWZJGBRSEQ-LSDHHAIUSA-N 0 3 281.444 2.857 20 30 CFEDHN C#CC[C@H](N[C@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC000271433017 191134792 /nfs/dbraw/zinc/13/47/92/191134792.db2.gz DIRDLSPQGIDLQB-WBVHZDCISA-N 0 3 286.419 2.988 20 30 CFEDHN N#Cc1c(F)cccc1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384402 351500511 /nfs/dbraw/zinc/50/05/11/351500511.db2.gz SUCJXUVFXBAKTE-GFCCVEGCSA-N 0 3 259.328 2.594 20 30 CFEDHN Cc1nccc([C@H]2CCCN(CCCCC#N)C2)n1 ZINC000608832658 351478556 /nfs/dbraw/zinc/47/85/56/351478556.db2.gz GURJQGKEPPOEES-AWEZNQCLSA-N 0 3 258.369 2.658 20 30 CFEDHN CC(C#N)C(=O)NCCCc1cccc(Br)c1 ZINC000609921773 351528528 /nfs/dbraw/zinc/52/85/28/351528528.db2.gz BYZDVKOIRGQECV-JTQLQIEISA-N 0 3 295.180 2.658 20 30 CFEDHN CC(C#N)C(=O)NCc1c(Cl)cccc1Cl ZINC000609919708 351528847 /nfs/dbraw/zinc/52/88/47/351528847.db2.gz DXYCQUKQXPLIGZ-ZETCQYMHSA-N 0 3 257.120 2.769 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000610001830 351530555 /nfs/dbraw/zinc/53/05/55/351530555.db2.gz CMWHWOPCEAJWDU-LXZKKBNFSA-N 0 3 291.439 2.695 20 30 CFEDHN Cc1nccc([C@@H]2CCCN(CCCSCC#N)C2)n1 ZINC000610409715 351563384 /nfs/dbraw/zinc/56/33/84/351563384.db2.gz WQVDIOPYUCIYOA-CQSZACIVSA-N 0 3 290.436 2.611 20 30 CFEDHN CCN1CCC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000329962117 539818187 /nfs/dbraw/zinc/81/81/87/539818187.db2.gz SNZTVAKYJVMROM-LBPRGKRZSA-N 0 3 287.363 2.925 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)o1)[C@H]1CCCCO1 ZINC000610717381 351597337 /nfs/dbraw/zinc/59/73/37/351597337.db2.gz CBUNXHOKEJJMMY-CQSZACIVSA-N 0 3 262.353 2.836 20 30 CFEDHN CC(C)[C@H]1c2ccccc2CCN1C(=O)C(C)C#N ZINC000610792087 351609709 /nfs/dbraw/zinc/60/97/09/351609709.db2.gz LFRIEHBUPXMRKB-WFASDCNBSA-N 0 3 256.349 2.928 20 30 CFEDHN N#Cc1csc(CN2CCc3ccc(O)cc3CC2)c1 ZINC000611266580 351661483 /nfs/dbraw/zinc/66/14/83/351661483.db2.gz DWPLVAGQYMWJHE-UHFFFAOYSA-N 0 3 284.384 2.926 20 30 CFEDHN N#CCN1CCC(N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000611071424 351637693 /nfs/dbraw/zinc/63/76/93/351637693.db2.gz YDWWYMKHYHFYNF-OAHLLOKOSA-N 0 3 291.345 2.530 20 30 CFEDHN CC(C)CNC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611158163 351645757 /nfs/dbraw/zinc/64/57/57/351645757.db2.gz IXLOUHNCBRPISA-ZDUSSCGKSA-N 0 3 267.332 2.614 20 30 CFEDHN Cc1ccc(C)c([C@@H](C)N2CCN(CCC#N)CC2)c1 ZINC000611173865 351647076 /nfs/dbraw/zinc/64/70/76/351647076.db2.gz ONVFBMQEVSNIGQ-MRXNPFEDSA-N 0 3 271.408 2.896 20 30 CFEDHN C[C@H]1CCC[C@H](CCN2CCN(CCC#N)CC2)C1 ZINC000611175265 351647092 /nfs/dbraw/zinc/64/70/92/351647092.db2.gz ZDWHGBZZGRLWMN-JKSUJKDBSA-N 0 3 263.429 2.734 20 30 CFEDHN COc1ccc(CN2CCC3(CC3)CC2)cc1C#N ZINC000611177245 351647629 /nfs/dbraw/zinc/64/76/29/351647629.db2.gz BZFAUQAYOAWKOQ-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C(F)F)C1 ZINC000611180463 351648301 /nfs/dbraw/zinc/64/83/01/351648301.db2.gz XXCXVSWDXBDCPX-LBPRGKRZSA-N 0 3 296.317 2.533 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@@H](C(F)F)C1 ZINC000611180039 351648804 /nfs/dbraw/zinc/64/88/04/351648804.db2.gz QCBOASXWVLTFDK-GFCCVEGCSA-N 0 3 266.291 2.524 20 30 CFEDHN CC(C)(C)NC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611249177 351657231 /nfs/dbraw/zinc/65/72/31/351657231.db2.gz ZMLJZXIRUFMVLS-GFCCVEGCSA-N 0 3 267.332 2.757 20 30 CFEDHN CC(C)(C)CCN1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610991523 351629767 /nfs/dbraw/zinc/62/97/67/351629767.db2.gz MMCJVEHSLDKJCI-UHFFFAOYSA-N 0 3 286.423 2.507 20 30 CFEDHN COc1ccccc1[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610993090 351629828 /nfs/dbraw/zinc/62/98/28/351629828.db2.gz CIADTLFFQWNDQF-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccnc(C#N)c1 ZINC000610993944 351631130 /nfs/dbraw/zinc/63/11/30/351631130.db2.gz IJMPKXNDORYBAM-ZDUSSCGKSA-N 0 3 281.359 2.722 20 30 CFEDHN CCCN(Cc1ccnc(C#N)c1)C[C@@H]1CCCCO1 ZINC000610993304 351631222 /nfs/dbraw/zinc/63/12/22/351631222.db2.gz KNDDZFRLNVVXML-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN CSC[C@@H](CCO)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393259 351681605 /nfs/dbraw/zinc/68/16/05/351681605.db2.gz RSYHGCLKWSKJHQ-GDBMZVCRSA-N 0 3 290.432 2.639 20 30 CFEDHN CC(C)(C)NC(=O)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394057 351681683 /nfs/dbraw/zinc/68/16/83/351681683.db2.gz ALZPUBYWEKILJP-MRXNPFEDSA-N 0 3 299.418 2.830 20 30 CFEDHN CC(C)[C@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000611438857 351690255 /nfs/dbraw/zinc/69/02/55/351690255.db2.gz BKNWVTVSJHBLDJ-PBHICJAKSA-N 0 3 299.418 2.856 20 30 CFEDHN CC(C)N(CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611290102 351664620 /nfs/dbraw/zinc/66/46/20/351664620.db2.gz ZIIGQFPQNSECAD-QGZVFWFLSA-N 0 3 271.408 2.885 20 30 CFEDHN C[C@@H](N[C@H](C)C(C)(C)O)c1ccc(C#N)cc1F ZINC000611588543 351712592 /nfs/dbraw/zinc/71/25/92/351712592.db2.gz FJCPGQJPNFDAAN-NXEZZACHSA-N 0 3 250.317 2.507 20 30 CFEDHN C=CCN1CCC(Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611616458 351714472 /nfs/dbraw/zinc/71/44/72/351714472.db2.gz QWEYZEJHIOBTIV-UHFFFAOYSA-N 0 3 290.367 2.669 20 30 CFEDHN N#CCc1ccc(CN2CC[C@H](C(F)F)C2)cc1 ZINC000612110392 351776981 /nfs/dbraw/zinc/77/69/81/351776981.db2.gz KIRVJYTYPJHKAG-ZDUSSCGKSA-N 0 3 250.292 2.840 20 30 CFEDHN COc1ccc2c(c1)CC[C@H](NC[C@@H](C#N)CCC#N)C2 ZINC000612049424 351766036 /nfs/dbraw/zinc/76/60/36/351766036.db2.gz OBMLSWBOCJKSLT-CJNGLKHVSA-N 0 3 283.375 2.586 20 30 CFEDHN C=CCCCCNCc1cnnn1Cc1ccccc1 ZINC000291730284 198073509 /nfs/dbraw/zinc/07/35/09/198073509.db2.gz NPRUTYBABOSZJJ-UHFFFAOYSA-N 0 3 270.380 2.772 20 30 CFEDHN C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000612365434 351808286 /nfs/dbraw/zinc/80/82/86/351808286.db2.gz VXFHQWHUDIBCHZ-RDJZCZTQSA-N 0 3 289.423 2.546 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612586557 351839688 /nfs/dbraw/zinc/83/96/88/351839688.db2.gz FSZJJMSWGBRSHO-ZBFHGGJFSA-N 0 3 271.408 2.789 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc(F)cc2C#N)CN1C1CC1 ZINC000123033246 187067404 /nfs/dbraw/zinc/06/74/04/187067404.db2.gz KGHQRMYLDVKJHP-GWCFXTLKSA-N 0 3 259.328 2.734 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000123818842 187110425 /nfs/dbraw/zinc/11/04/25/187110425.db2.gz CCNQSJZWEPJZEO-KCEHYLLSSA-N 0 3 297.402 2.513 20 30 CFEDHN CCN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160349 352054193 /nfs/dbraw/zinc/05/41/93/352054193.db2.gz VBAGNCHVJWXCQW-UHFFFAOYSA-N 0 3 271.408 2.625 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC1 ZINC000614167324 352056053 /nfs/dbraw/zinc/05/60/53/352056053.db2.gz PUDNRWSYRWBZBS-HNNXBMFYSA-N 0 3 258.365 2.708 20 30 CFEDHN N#CC1(NC(=O)CN[C@@H](CC2CC2)c2ccccc2)CCC1 ZINC000615229087 352170606 /nfs/dbraw/zinc/17/06/06/352170606.db2.gz GEQWDBHQRWGMHH-INIZCTEOSA-N 0 3 297.402 2.680 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OC)cc1OC ZINC000311554887 539844801 /nfs/dbraw/zinc/84/48/01/539844801.db2.gz MSHCMOCFYPGCPD-GFCCVEGCSA-N 0 3 265.353 2.557 20 30 CFEDHN C=CCN1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000292014164 198134723 /nfs/dbraw/zinc/13/47/23/198134723.db2.gz XYJYTGJRNQIMJX-INIZCTEOSA-N 0 3 261.365 2.627 20 30 CFEDHN CC[C@]1(NCc2ccc(C#N)cc2OC(F)F)CCOC1 ZINC000616866021 352435666 /nfs/dbraw/zinc/43/56/66/352435666.db2.gz HSDJUEHZAJAETJ-HNNXBMFYSA-N 0 3 296.317 2.818 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCC1 ZINC000617008491 352462730 /nfs/dbraw/zinc/46/27/30/352462730.db2.gz HLWIYHKGWZOMEW-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617009350 352463259 /nfs/dbraw/zinc/46/32/59/352463259.db2.gz XJDJYMKZCFMVAQ-IUODEOHRSA-N 0 3 252.402 2.578 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CO)CC(F)F ZINC000617585453 352598940 /nfs/dbraw/zinc/59/89/40/352598940.db2.gz HRAIMGNSKMMFKX-GXTWGEPZSA-N 0 3 280.318 2.541 20 30 CFEDHN C=CCCC1(CNC(=O)Cc2nc[nH]c2C)CCCC1 ZINC000617418092 352562097 /nfs/dbraw/zinc/56/20/97/352562097.db2.gz RSDZYRIQSJCEPS-UHFFFAOYSA-N 0 3 275.396 2.903 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](C)CC[S@@](C)=O)cc1 ZINC000271571121 191219207 /nfs/dbraw/zinc/21/92/07/191219207.db2.gz ZCFNZVLQZLKQFT-LAPQFRIASA-N 0 3 293.432 2.506 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000617782558 352644900 /nfs/dbraw/zinc/64/49/00/352644900.db2.gz HVXYFURQFNTCGE-ZNMIVQPWSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000617786167 352646548 /nfs/dbraw/zinc/64/65/48/352646548.db2.gz VFDUEBIZBSORGJ-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCC[C@H](O)CNC(C)(C)c1ccccc1F ZINC000292144931 198180362 /nfs/dbraw/zinc/18/03/62/198180362.db2.gz MXHPMMFDEQZPMA-LBPRGKRZSA-N 0 3 251.345 2.978 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN(C[C@H]2CCCO2)CC1 ZINC000618271609 352743655 /nfs/dbraw/zinc/74/36/55/352743655.db2.gz DAAXNJBRGATMIZ-MRXNPFEDSA-N 0 3 293.455 2.503 20 30 CFEDHN COc1nc(C)cc(C)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000618568705 352812212 /nfs/dbraw/zinc/81/22/12/352812212.db2.gz YFQUXVGDVRQJNV-UONOGXRCSA-N 0 3 273.380 2.879 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CO)c2cccc(F)c2)C1 ZINC000618571764 352813769 /nfs/dbraw/zinc/81/37/69/352813769.db2.gz WWXXLIWEIDQJMC-UGFHNGPFSA-N 0 3 262.328 2.531 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000618572056 352814565 /nfs/dbraw/zinc/81/45/65/352814565.db2.gz OHXAKCNZKLVJSG-FMKPAKJESA-N 0 3 289.423 2.592 20 30 CFEDHN Cc1cc(CN2CCN(c3ccncc3)CC2)ccc1C#N ZINC000618590235 352824883 /nfs/dbraw/zinc/82/48/83/352824883.db2.gz CVPGRTUKCYJTPO-UHFFFAOYSA-N 0 3 292.386 2.584 20 30 CFEDHN COc1ccc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742309 352876111 /nfs/dbraw/zinc/87/61/11/352876111.db2.gz MHHDSELQMHFOCV-INIZCTEOSA-N 0 3 279.343 2.739 20 30 CFEDHN CC[C@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(CC)CC ZINC000618788558 352881733 /nfs/dbraw/zinc/88/17/33/352881733.db2.gz BISXTNHYYZAESF-IAGOWNOFSA-N 0 3 299.418 2.782 20 30 CFEDHN Cc1ccnc(NC[C@H]2N(C)CCCC2(C)C)c1C#N ZINC000619158256 352968435 /nfs/dbraw/zinc/96/84/35/352968435.db2.gz HVSHJDMJTQATNG-CQSZACIVSA-N 0 3 272.396 2.794 20 30 CFEDHN COc1cc(C)c(C[C@@H](C)NCC2(C#N)CC2)cc1OC ZINC000619726094 353060571 /nfs/dbraw/zinc/06/05/71/353060571.db2.gz JAAMIZJMEDFTSM-CYBMUJFWSA-N 0 3 288.391 2.837 20 30 CFEDHN C=C[C@@H](Nc1cccc2c1CN(CCCC)C2)C(=O)OC ZINC000619734390 353061554 /nfs/dbraw/zinc/06/15/54/353061554.db2.gz HGCJKFNRESZDLV-OAHLLOKOSA-N 0 3 288.391 2.942 20 30 CFEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000619612239 353040529 /nfs/dbraw/zinc/04/05/29/353040529.db2.gz KRSGMIKYDIAKID-MGPQQGTHSA-N 0 3 250.386 2.721 20 30 CFEDHN CC1(C)CN(CCCC2(C#N)CCOCC2)C(C)(C)CO1 ZINC000619620472 353041098 /nfs/dbraw/zinc/04/10/98/353041098.db2.gz XTLKXTOZKIVXOQ-UHFFFAOYSA-N 0 3 294.439 2.976 20 30 CFEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000619672827 353047830 /nfs/dbraw/zinc/04/78/30/353047830.db2.gz KMZCEIRLUKTVTP-JMSVASOKSA-N 0 3 272.348 2.801 20 30 CFEDHN CC(C)OC[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619715419 353056449 /nfs/dbraw/zinc/05/64/49/353056449.db2.gz AVCJUZHXEZQEBL-MLGOLLRUSA-N 0 3 258.365 2.949 20 30 CFEDHN CCN(CC)C(=O)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000154342105 188136727 /nfs/dbraw/zinc/13/67/27/188136727.db2.gz MQLQNCQRVMUNSM-ZIAGYGMSSA-N 0 3 287.407 2.856 20 30 CFEDHN CS[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1N(C)C ZINC000271674357 191271026 /nfs/dbraw/zinc/27/10/26/191271026.db2.gz XVGCBXLCEOJDJJ-KGLIPLIRSA-N 0 3 295.839 2.693 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Cl)ccc1OC(F)F ZINC000321535233 539981359 /nfs/dbraw/zinc/98/13/59/539981359.db2.gz ZHQARBLRKAXXRV-LLVKDONJSA-N 0 3 291.725 2.968 20 30 CFEDHN C=CCCC(C)(C)NC(=O)[C@H](CC)N(CC)CC ZINC000620858448 353241637 /nfs/dbraw/zinc/24/16/37/353241637.db2.gz HEXHOFJHITXJHF-ZDUSSCGKSA-N 0 3 254.418 2.968 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)[C@H]1OCCc2sccc21 ZINC000292479349 198304053 /nfs/dbraw/zinc/30/40/53/198304053.db2.gz SAKQDNRWFGPNJU-SLEUVZQESA-N 0 3 281.421 2.667 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CCO[C@@H](C2CC2)C1 ZINC000157135525 188299358 /nfs/dbraw/zinc/29/93/58/188299358.db2.gz OEZQYKFIBJMZSQ-FUHWJXTLSA-N 0 3 285.387 2.746 20 30 CFEDHN CC(C)(C#N)CCN1CCC(NC(=O)c2ccccc2)CC1 ZINC000157510847 188321932 /nfs/dbraw/zinc/32/19/32/188321932.db2.gz VDBYGCBMVYSTPT-UHFFFAOYSA-N 0 3 299.418 2.821 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)CCc1nccs1 ZINC000157808965 188340302 /nfs/dbraw/zinc/34/03/02/188340302.db2.gz KEYFSXYXHNZFJO-UHFFFAOYSA-N 0 3 287.388 2.568 20 30 CFEDHN CC#CCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000157965532 188350273 /nfs/dbraw/zinc/35/02/73/188350273.db2.gz NKWGBKZWMUSRMQ-UHFFFAOYSA-N 0 3 253.349 2.766 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@H](CO)C1 ZINC000621738509 353415644 /nfs/dbraw/zinc/41/56/44/353415644.db2.gz IGDCLAFHRQQNFO-HOCLYGCPSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CC[C@H](C)[C@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623233205 353598287 /nfs/dbraw/zinc/59/82/87/353598287.db2.gz RNYHRVJOUYPIJI-XEZPLFJOSA-N 0 3 272.392 2.890 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000623369332 353627619 /nfs/dbraw/zinc/62/76/19/353627619.db2.gz ZRKUFEZCOQNSCW-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(C)COCCNCc1ccc(OC)c(OC2CC2)c1 ZINC000623449765 353647665 /nfs/dbraw/zinc/64/76/65/353647665.db2.gz KQLRCNIEJDXECD-UHFFFAOYSA-N 0 3 291.391 2.919 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000623462395 353650221 /nfs/dbraw/zinc/65/02/21/353650221.db2.gz IZMCOCGNCUHORN-AWEZNQCLSA-N 0 3 281.444 2.620 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(C)c(Br)cn1 ZINC000623542190 353667426 /nfs/dbraw/zinc/66/74/26/353667426.db2.gz QMBQPKVGRKKJDM-LLVKDONJSA-N 0 3 299.212 2.569 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(OCC)c(OC)cc1F ZINC000623542004 353667601 /nfs/dbraw/zinc/66/76/01/353667601.db2.gz IGDOYJOWARBBSX-ZDUSSCGKSA-N 0 3 297.370 2.650 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccsc1Br ZINC000623483639 353654452 /nfs/dbraw/zinc/65/44/52/353654452.db2.gz MTABVBGHTIPMBA-SECBINFHSA-N 0 3 290.226 2.785 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(OCC)c(OC)cc1F ZINC000623483718 353654497 /nfs/dbraw/zinc/65/44/97/353654497.db2.gz ONYUIYSIJDMMPX-GFCCVEGCSA-N 0 3 297.370 2.507 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1cccc(C(C)C)c1 ZINC000623946082 353767171 /nfs/dbraw/zinc/76/71/71/353767171.db2.gz MXGXIMZPDOHIAI-ZDUSSCGKSA-N 0 3 260.381 2.763 20 30 CFEDHN C=C(C)CN1CCC(N=c2[nH]c3cccc(F)c3o2)CC1 ZINC000623951323 353767845 /nfs/dbraw/zinc/76/78/45/353767845.db2.gz ITLORMXWOKATBJ-UHFFFAOYSA-N 0 3 289.354 2.841 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623990723 353777218 /nfs/dbraw/zinc/77/72/18/353777218.db2.gz KWBNDXUMIMNECG-UKRRQHHQSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624156011 353820694 /nfs/dbraw/zinc/82/06/94/353820694.db2.gz MNSXKUGDDFPLRO-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624156288 353820758 /nfs/dbraw/zinc/82/07/58/353820758.db2.gz XUCHQPXRIPRTJW-CQSZACIVSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC(C)(C)CCNC(=O)Nc1cccc(CN)c1 ZINC000625894652 354134906 /nfs/dbraw/zinc/13/49/06/354134906.db2.gz TYZCRKGVCIJPMM-UHFFFAOYSA-N 0 3 261.369 2.869 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCCc2ccccc2C)C1 ZINC000625705018 354090965 /nfs/dbraw/zinc/09/09/65/354090965.db2.gz WHZUGUPJCOYOMQ-MRXNPFEDSA-N 0 3 286.419 2.552 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2C)C1 ZINC000625705145 354091066 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ZINC000176980576 189018920 /nfs/dbraw/zinc/01/89/20/189018920.db2.gz FVCCOYVCEKQKEW-LBPRGKRZSA-N 0 3 252.383 2.770 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(OC)ccc1OC ZINC000178033151 189086957 /nfs/dbraw/zinc/08/69/57/189086957.db2.gz LEODQZVDNDQOCD-OLZOCXBDSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCc1cc(CN[C@@]2(CC)CCOC2)cc(OC)c1O ZINC000682951298 540731415 /nfs/dbraw/zinc/73/14/15/540731415.db2.gz AIKZEEWTNRLMPD-KRWDZBQOSA-N 0 3 291.391 2.788 20 30 CFEDHN C=CC[C@@H]1N(CC[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000683527642 540769607 /nfs/dbraw/zinc/76/96/07/540769607.db2.gz HXVFVMJSKYLOID-CABCVRRESA-N 0 3 299.480 2.878 20 30 CFEDHN C=CC[C@H]1N(CC[C@@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000683527644 540769672 /nfs/dbraw/zinc/76/96/72/540769672.db2.gz HXVFVMJSKYLOID-HUUCEWRRSA-N 0 3 299.480 2.878 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2nc(C)sc2C)CC1 ZINC000178541361 189125575 /nfs/dbraw/zinc/12/55/75/189125575.db2.gz FPFRYHHGDXLIFV-UHFFFAOYSA-N 0 3 293.436 2.530 20 30 CFEDHN C=C(C)COc1cc(CNC2(CO)CCC2)ccc1OC ZINC000178638005 189133244 /nfs/dbraw/zinc/13/32/44/189133244.db2.gz CGYBJJRUDKTCRB-UHFFFAOYSA-N 0 3 291.391 2.655 20 30 CFEDHN C=CCC[C@H](NCC(=O)NC(C)C)c1ccccc1 ZINC000178755944 189142923 /nfs/dbraw/zinc/14/29/23/189142923.db2.gz LHHJVUATHJPNHU-HNNXBMFYSA-N 0 3 260.381 2.808 20 30 CFEDHN CCC[C@H](C)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000179672506 189212167 /nfs/dbraw/zinc/21/21/67/189212167.db2.gz RRNTVEZJMBNDOA-AWEZNQCLSA-N 0 3 272.396 2.511 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000179631568 189208558 /nfs/dbraw/zinc/20/85/58/189208558.db2.gz GFJOQXQYFOFIIL-KGLIPLIRSA-N 0 3 293.407 2.990 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@](C)(C(=O)OC)C2)c1 ZINC000180080050 189235832 /nfs/dbraw/zinc/23/58/32/189235832.db2.gz NZTMWEPKHAMVNY-KRWDZBQOSA-N 0 3 289.375 2.636 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccccc1 ZINC000180754849 189273348 /nfs/dbraw/zinc/27/33/48/189273348.db2.gz BXHGPJIHNRSAGQ-HNNXBMFYSA-N 0 3 260.381 2.666 20 30 CFEDHN N#Cc1cccc(OCCN2CCC3(CCCC3=O)CC2)c1 ZINC000661954029 541031844 /nfs/dbraw/zinc/03/18/44/541031844.db2.gz HECSMMSBTIGLTI-UHFFFAOYSA-N 0 3 298.386 2.772 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]ccc1C ZINC001085186517 781939017 /nfs/dbraw/zinc/93/90/17/781939017.db2.gz WNSWVDZTSTUABY-CHWSQXEVSA-N 0 3 295.814 2.706 20 30 CFEDHN C=CCOCCCN1CCOC2(CCCCC2)C1 ZINC000348024748 781941077 /nfs/dbraw/zinc/94/10/77/781941077.db2.gz AIGVTTPSBBBEAZ-UHFFFAOYSA-N 0 3 253.386 2.614 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)cs1 ZINC000671749385 541071856 /nfs/dbraw/zinc/07/18/56/541071856.db2.gz QFEIFEVRJINBLI-LBPRGKRZSA-N 0 3 271.345 2.953 20 30 CFEDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000183051354 189344421 /nfs/dbraw/zinc/34/44/21/189344421.db2.gz GGFWYZIWPVBFSB-VXGBXAGGSA-N 0 3 259.353 2.521 20 30 CFEDHN Cc1cnc([C@H](C)CNCc2ccc(C#N)o2)s1 ZINC000184347666 189383754 /nfs/dbraw/zinc/38/37/54/189383754.db2.gz RXUOWUOLDIUABJ-SECBINFHSA-N 0 3 261.350 2.810 20 30 CFEDHN CN(C)CCN(CC1CCCCC1)c1ncccc1C#N ZINC000301798468 201203491 /nfs/dbraw/zinc/20/34/91/201203491.db2.gz UUHJJDVCWKKEJQ-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)c1nccs1 ZINC000184292796 189382664 /nfs/dbraw/zinc/38/26/64/189382664.db2.gz APJFCFRCBHDPRT-SECBINFHSA-N 0 3 263.391 2.970 20 30 CFEDHN Cc1noc(CCCN(C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425529842 239090789 /nfs/dbraw/zinc/09/07/89/239090789.db2.gz CSYBMBVOYDVWAX-LBPRGKRZSA-N 0 3 284.363 2.875 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000666920517 541160078 /nfs/dbraw/zinc/16/00/78/541160078.db2.gz WWADUMXKDMJKGR-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NCCN1CCC(C)CC1 ZINC000302032286 201307725 /nfs/dbraw/zinc/30/77/25/201307725.db2.gz COGSEOOJEMONEI-UHFFFAOYSA-N 0 3 285.391 2.905 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CCC[C@H](N2CCCC2)C1 ZINC000302061809 201326841 /nfs/dbraw/zinc/32/68/41/201326841.db2.gz UCFWCRJXXFWSDK-INIZCTEOSA-N 0 3 297.402 2.825 20 30 CFEDHN CCOC(=O)CC1(NCc2cccc(C#N)c2)CCCC1 ZINC000434612669 240248754 /nfs/dbraw/zinc/24/87/54/240248754.db2.gz VDBYUNTVFCWLNJ-UHFFFAOYSA-N 0 3 286.375 2.914 20 30 CFEDHN CCOC(=O)CC1(NCc2ccc(C#N)s2)CCCC1 ZINC000435290674 240301803 /nfs/dbraw/zinc/30/18/03/240301803.db2.gz ROBJRMMMPWYCNC-UHFFFAOYSA-N 0 3 292.404 2.975 20 30 CFEDHN COc1cc(CN[C@H]2CC[C@@H]2SC)ccc1C#N ZINC000440624492 240866040 /nfs/dbraw/zinc/86/60/40/240866040.db2.gz YVCHUPXTDFUWBO-JSGCOSHPSA-N 0 3 262.378 2.550 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(C#N)cs1 ZINC000443785221 241087104 /nfs/dbraw/zinc/08/71/04/241087104.db2.gz UKJNLPWZYNXGFM-JTNHKYCSSA-N 0 3 264.394 2.601 20 30 CFEDHN Cc1cc(CNCCc2ccccc2O)ccc1C#N ZINC000443962002 241098610 /nfs/dbraw/zinc/09/86/10/241098610.db2.gz IQKDSKKNKYBGIC-UHFFFAOYSA-N 0 3 266.344 2.905 20 30 CFEDHN Cc1cc(CNC[C@@H]2COc3ccccc3O2)ccc1C#N ZINC000443972760 241101073 /nfs/dbraw/zinc/10/10/73/241101073.db2.gz YOFNHKKDDUKJIM-MRXNPFEDSA-N 0 3 294.354 2.796 20 30 CFEDHN Cc1cc(CNCCOc2ncccc2F)ccc1C#N ZINC000443991512 241104809 /nfs/dbraw/zinc/10/48/09/241104809.db2.gz VJRLXYGTOSOPCM-UHFFFAOYSA-N 0 3 285.322 2.569 20 30 CFEDHN CC[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000449124351 241706993 /nfs/dbraw/zinc/70/69/93/241706993.db2.gz GJFMOFYNTZADPR-ZIAGYGMSSA-N 0 3 262.328 2.745 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000449626108 242074251 /nfs/dbraw/zinc/07/42/51/242074251.db2.gz CUDGJNOPXQUQCD-HNNXBMFYSA-N 0 3 271.408 2.783 20 30 CFEDHN COC[C@H](CC(C)C)NCc1ccc(C#N)c(F)c1 ZINC000449734228 242125025 /nfs/dbraw/zinc/12/50/25/242125025.db2.gz AMHZHWQDVCVWRT-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN CC(C)OC[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449736191 242125837 /nfs/dbraw/zinc/12/58/37/242125837.db2.gz LNNZFGRIRZTMTO-LLVKDONJSA-N 0 3 250.317 2.600 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450258114 242329250 /nfs/dbraw/zinc/32/92/50/242329250.db2.gz OVYCQNBSAJBTHM-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000275964193 193175057 /nfs/dbraw/zinc/17/50/57/193175057.db2.gz BUHWBCPEGIPVRX-WMZOPIPTSA-N 0 3 286.419 2.979 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)[C@H]1C ZINC000347230787 284066065 /nfs/dbraw/zinc/06/60/65/284066065.db2.gz XVLICNYFCJOPHF-SLEUVZQESA-N 0 3 272.348 2.503 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000330640129 203069058 /nfs/dbraw/zinc/06/90/58/203069058.db2.gz HRGYJSXUHONRGV-PBHICJAKSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000330640136 203069551 /nfs/dbraw/zinc/06/95/51/203069551.db2.gz HRGYJSXUHONRGV-YOEHRIQHSA-N 0 3 299.418 2.685 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000457096683 244391058 /nfs/dbraw/zinc/39/10/58/244391058.db2.gz RJVHLPYIYQEEMH-WMLDXEAASA-N 0 3 299.418 2.603 20 30 CFEDHN CC[C@@H](c1cccc(OC)c1)N(C)CC#CCOC ZINC000676729587 541783690 /nfs/dbraw/zinc/78/36/90/541783690.db2.gz QGYGPLKZEYJZIA-INIZCTEOSA-N 0 3 261.365 2.728 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000276346143 193294071 /nfs/dbraw/zinc/29/40/71/193294071.db2.gz CVPHISZVQYFYPJ-CABCVRRESA-N 0 3 274.408 2.803 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000276372462 193304580 /nfs/dbraw/zinc/30/45/80/193304580.db2.gz HADSAWAANHCQDU-HIFRSBDPSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000276494263 193354957 /nfs/dbraw/zinc/35/49/57/193354957.db2.gz VHMOORWSOBFQQX-ZDUSSCGKSA-N 0 3 278.371 2.681 20 30 CFEDHN C=CCCN(C)C[C@@H](O)c1ccccc1Br ZINC000276458326 193340107 /nfs/dbraw/zinc/34/01/07/193340107.db2.gz QKYQJGYYMCZDOA-CYBMUJFWSA-N 0 3 284.197 2.990 20 30 CFEDHN CC(C)O[C@@H]1C[C@@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000276598944 193396061 /nfs/dbraw/zinc/39/60/61/193396061.db2.gz FVXXGDAEKUBCLD-HUUCEWRRSA-N 0 3 275.396 2.578 20 30 CFEDHN C#CCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277107793 193556691 /nfs/dbraw/zinc/55/66/91/193556691.db2.gz UUFYGCKMEWLUEQ-ZIAGYGMSSA-N 0 3 267.731 2.922 20 30 CFEDHN COCC#CCN1CC[C@@H](CSc2ccccc2)C1 ZINC000677133068 541825934 /nfs/dbraw/zinc/82/59/34/541825934.db2.gz GFCSVNLUHMPQNY-OAHLLOKOSA-N 0 3 275.417 2.750 20 30 CFEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000459767474 245314263 /nfs/dbraw/zinc/31/42/63/245314263.db2.gz FQXDPWMNNFDENY-OLZOCXBDSA-N 0 3 296.317 2.817 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000677478210 541862466 /nfs/dbraw/zinc/86/24/66/541862466.db2.gz RLECXJBGUHYPJN-OAHLLOKOSA-N 0 3 263.381 2.681 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000677479807 541865788 /nfs/dbraw/zinc/86/57/88/541865788.db2.gz RTGSQVMPXSZOIX-HZPDHXFCSA-N 0 3 299.418 2.842 20 30 CFEDHN COCC#CCN1CCC(Cc2ccc(OC)cc2)CC1 ZINC000677478078 541864979 /nfs/dbraw/zinc/86/49/79/541864979.db2.gz LTSIBWJFLUZYAX-UHFFFAOYSA-N 0 3 287.403 2.600 20 30 CFEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000023386510 372258932 /nfs/dbraw/zinc/25/89/32/372258932.db2.gz IYTDVPANCMJQDP-RHSMWYFYSA-N 0 3 296.370 2.649 20 30 CFEDHN CC(C)CN(CC(=O)Nc1sccc1C#N)C(C)C ZINC000031582137 372412665 /nfs/dbraw/zinc/41/26/65/372412665.db2.gz YQXWPQGSCREOJO-UHFFFAOYSA-N 0 3 279.409 2.925 20 30 CFEDHN CCCN(CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037095039 372649355 /nfs/dbraw/zinc/64/93/55/372649355.db2.gz GYXCVENLQZUKNY-LBPRGKRZSA-N 0 3 259.353 2.617 20 30 CFEDHN CN1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000037413235 372664082 /nfs/dbraw/zinc/66/40/82/372664082.db2.gz DKTZCMGOKPATMX-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1F ZINC000451699934 383686134 /nfs/dbraw/zinc/68/61/34/383686134.db2.gz MLALMQXBEWNVAE-INWMFGNUSA-N 0 3 288.366 2.680 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000042244958 372893671 /nfs/dbraw/zinc/89/36/71/372893671.db2.gz NTDBNXGRYOCGDA-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H]2CCCCO2)cc1 ZINC000042813735 372958030 /nfs/dbraw/zinc/95/80/30/372958030.db2.gz ZODFBPJOYQEDPC-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000044814694 373009457 /nfs/dbraw/zinc/00/94/57/373009457.db2.gz TUNHBNKQIQDJPF-ZDUSSCGKSA-N 0 3 256.349 2.627 20 30 CFEDHN Cc1ccccc1[C@@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000263741682 383687211 /nfs/dbraw/zinc/68/72/11/383687211.db2.gz RMHLJMVCBDORPB-HZPDHXFCSA-N 0 3 299.418 2.545 20 30 CFEDHN CN(CCCCC#N)C[C@H]1OCCc2ccccc21 ZINC000263836826 383688663 /nfs/dbraw/zinc/68/86/63/383688663.db2.gz XANZNYKFDQMIKG-MRXNPFEDSA-N 0 3 258.365 2.926 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(C)(C)C#N ZINC000263846215 383689287 /nfs/dbraw/zinc/68/92/87/383689287.db2.gz DAQMUTNCOMNEEN-UHFFFAOYSA-N 0 3 287.407 2.646 20 30 CFEDHN C=C(C)CN1CCC(C(=O)NCCCCC)CC1 ZINC000051800932 373410289 /nfs/dbraw/zinc/41/02/89/373410289.db2.gz MJTOEECRBBFHIA-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCN(CCC(=O)NC(C)C)Cc1ccc(OC)cc1 ZINC000054272511 373508730 /nfs/dbraw/zinc/50/87/30/373508730.db2.gz RRIPUGAHEXTQBG-UHFFFAOYSA-N 0 3 290.407 2.598 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(F)c(C#N)c1 ZINC000451730470 383693115 /nfs/dbraw/zinc/69/31/15/383693115.db2.gz OUVMQNXNCPFTEH-OAHLLOKOSA-N 0 3 275.371 2.613 20 30 CFEDHN C=C(C)COc1cc(CNC[C@H]2CCCO2)ccc1OC ZINC000057959038 373619339 /nfs/dbraw/zinc/61/93/39/373619339.db2.gz DQWFLVUCFSOLFW-OAHLLOKOSA-N 0 3 291.391 2.919 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640060196 383693665 /nfs/dbraw/zinc/69/36/65/383693665.db2.gz ATUJOLXTDLWMHH-JQWIXIFHSA-N 0 3 276.336 2.511 20 30 CFEDHN CC(C)N1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061850895 373733343 /nfs/dbraw/zinc/73/33/43/373733343.db2.gz IIUBGVQNIBHDDA-UHFFFAOYSA-N 0 3 263.772 2.742 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)CN(C)C(C)C ZINC000063582714 373808845 /nfs/dbraw/zinc/80/88/45/373808845.db2.gz FRWJRXRIKFJXKC-UHFFFAOYSA-N 0 3 278.371 2.681 20 30 CFEDHN C[C@H](O)CNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066904855 373962757 /nfs/dbraw/zinc/96/27/57/373962757.db2.gz GALNMEZSXREYBV-AWEZNQCLSA-N 0 3 296.370 2.608 20 30 CFEDHN COc1cc(CNCC[C@H](O)c2ccccc2)ccc1C#N ZINC000289536288 197394109 /nfs/dbraw/zinc/39/41/09/197394109.db2.gz WMMXYVIZBZXSRJ-KRWDZBQOSA-N 0 3 296.370 2.780 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000068045799 374019635 /nfs/dbraw/zinc/01/96/35/374019635.db2.gz PEVAQXQOGJBJQL-AWEZNQCLSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000070754318 374202780 /nfs/dbraw/zinc/20/27/80/374202780.db2.gz XPISHWBFAMXPOY-KBPBESRZSA-N 0 3 286.419 2.907 20 30 CFEDHN COCC#CCN1CCC(C)(c2ccccc2)CC1 ZINC000677819694 541910374 /nfs/dbraw/zinc/91/03/74/541910374.db2.gz LEIIWCONJCWALT-UHFFFAOYSA-N 0 3 257.377 2.690 20 30 CFEDHN CCC[C@@]1(C)CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000072896140 374299766 /nfs/dbraw/zinc/29/97/66/374299766.db2.gz SYRQDJXTPDBJKL-RDJZCZTQSA-N 0 3 293.455 2.897 20 30 CFEDHN CCOC[C@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000072975170 374306469 /nfs/dbraw/zinc/30/64/69/374306469.db2.gz RVBMBZMIELDTMS-INIZCTEOSA-N 0 3 288.391 2.686 20 30 CFEDHN CCC[C@H]1[C@H](C)CCCN1CC(=O)N(CC)CCC#N ZINC000072775216 374284468 /nfs/dbraw/zinc/28/44/68/374284468.db2.gz LQYHNHJHXKIAIJ-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1cccc(OC(C)C)c1 ZINC000678049339 541942003 /nfs/dbraw/zinc/94/20/03/541942003.db2.gz IASHCCJTUCKTAX-MRXNPFEDSA-N 0 3 263.381 2.843 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000678049340 541942096 /nfs/dbraw/zinc/94/20/96/541942096.db2.gz IBQAHXNWSYKXTR-HNNXBMFYSA-N 0 3 297.345 2.745 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000076734572 374556329 /nfs/dbraw/zinc/55/63/29/374556329.db2.gz RHOWJIGKUFVFGJ-OAHLLOKOSA-N 0 3 288.391 2.524 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000076737909 374556922 /nfs/dbraw/zinc/55/69/22/374556922.db2.gz OKIOTXOGPUGMSD-OAHLLOKOSA-N 0 3 274.408 2.898 20 30 CFEDHN CCN(C(=O)C1CCN(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000081013794 374681350 /nfs/dbraw/zinc/68/13/50/374681350.db2.gz XFCYSVAHNPPVMD-CQSZACIVSA-N 0 3 299.418 2.810 20 30 CFEDHN C=CCN(CCCc1cncn1C)Cc1cccc(C#N)c1 ZINC000574529367 335027371 /nfs/dbraw/zinc/02/73/71/335027371.db2.gz CMGDKVYGTFLQQH-UHFFFAOYSA-N 0 3 294.402 2.913 20 30 CFEDHN COc1ccc(CN(C)CCc2ccncc2)cc1C#N ZINC000087833193 374832739 /nfs/dbraw/zinc/83/27/39/374832739.db2.gz CNVQCYXPOKSSBN-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C[C@@H]1C[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CCN1C ZINC000090794994 375029467 /nfs/dbraw/zinc/02/94/67/375029467.db2.gz GMGYKLNOTVCNLM-MWLCHTKSSA-N 0 3 298.312 2.867 20 30 CFEDHN C[C@@H](NCCCCC#N)c1nc2ccccc2n1C ZINC000091319672 375046984 /nfs/dbraw/zinc/04/69/84/375046984.db2.gz OWKCSDXRINLYIL-GFCCVEGCSA-N 0 3 256.353 2.918 20 30 CFEDHN Cc1noc([C@@H]2CCCN(CC(C)(C)CCC#N)C2)n1 ZINC000091833486 375065009 /nfs/dbraw/zinc/06/50/09/375065009.db2.gz JZVZMONADPZHCA-CYBMUJFWSA-N 0 3 276.384 2.887 20 30 CFEDHN CCC[C@H]1CN(CC(C)(C)CCC#N)CCN1CCOC ZINC000091858992 375066441 /nfs/dbraw/zinc/06/64/41/375066441.db2.gz SLPDBWAKKGBNEL-INIZCTEOSA-N 0 3 295.471 2.749 20 30 CFEDHN C=C(C)COc1cc(CN(C)CC[C@@H](C)O)ccc1OC ZINC000093481940 375252750 /nfs/dbraw/zinc/25/27/50/375252750.db2.gz ZLLOALMUQZRKQR-CQSZACIVSA-N 0 3 293.407 2.853 20 30 CFEDHN C=CC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093359302 375220098 /nfs/dbraw/zinc/22/00/98/375220098.db2.gz SISOXZAWRPIYMQ-UHFFFAOYSA-N 0 3 268.364 2.870 20 30 CFEDHN C=CCc1cc(CN(C)CCSC)cc(OC)c1O ZINC000093509479 375260067 /nfs/dbraw/zinc/26/00/67/375260067.db2.gz YRTMIDJRUYVSGH-UHFFFAOYSA-N 0 3 281.421 2.924 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(CC)(CO)CC1 ZINC000093592218 375269365 /nfs/dbraw/zinc/26/93/65/375269365.db2.gz YIUPUGOEPYETSP-UHFFFAOYSA-N 0 3 287.403 2.683 20 30 CFEDHN C#CCOc1ccccc1CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000093609786 375271784 /nfs/dbraw/zinc/27/17/84/375271784.db2.gz JDGNMFVVFDYYGL-NXHRZFHOSA-N 0 3 299.414 2.944 20 30 CFEDHN CN(C)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N ZINC000094335286 375351797 /nfs/dbraw/zinc/35/17/97/375351797.db2.gz YFDYVRHMFLIIOB-LLVKDONJSA-N 0 3 298.312 2.502 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@@H](CO)CC(C)(C)C ZINC000451791950 383707873 /nfs/dbraw/zinc/70/78/73/383707873.db2.gz RPTKJQKADZGPRZ-OAHLLOKOSA-N 0 3 290.407 2.796 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000102410289 375673091 /nfs/dbraw/zinc/67/30/91/375673091.db2.gz ZJHSOCBRPUCBJC-MRXNPFEDSA-N 0 3 266.348 2.592 20 30 CFEDHN C=CCN(CCOCc1ccc(OC)cc1)C1CC1 ZINC000678537227 542038731 /nfs/dbraw/zinc/03/87/31/542038731.db2.gz RYJZIQXHQNUJSC-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103480048 375750607 /nfs/dbraw/zinc/75/06/07/375750607.db2.gz BZUFEINFHUVFKU-AWEZNQCLSA-N 0 3 277.343 2.598 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ccc(F)cc1C#N ZINC000104186740 375771373 /nfs/dbraw/zinc/77/13/73/375771373.db2.gz FSXCBXQSPGRSIN-GFCCVEGCSA-N 0 3 261.344 2.984 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@H](NCc2ccncc2)C1 ZINC000109077746 375819698 /nfs/dbraw/zinc/81/96/98/375819698.db2.gz HOPZNFFIBGJMIE-KRWDZBQOSA-N 0 3 292.386 2.712 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@@H](NCc2ccncc2)C1 ZINC000109077748 375820112 /nfs/dbraw/zinc/82/01/12/375820112.db2.gz HOPZNFFIBGJMIE-QGZVFWFLSA-N 0 3 292.386 2.712 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000678741957 542064164 /nfs/dbraw/zinc/06/41/64/542064164.db2.gz HSTWLSZYVUGCSJ-GXTWGEPZSA-N 0 3 279.380 2.600 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000678723539 542062301 /nfs/dbraw/zinc/06/23/01/542062301.db2.gz LONOHKUQKMYIEG-YOEHRIQHSA-N 0 3 299.418 2.988 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678723539 542062303 /nfs/dbraw/zinc/06/23/03/542062303.db2.gz LONOHKUQKMYIEG-YOEHRIQHSA-N 0 3 299.418 2.988 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H]1CCc2c1cc(F)cc2F ZINC000678775607 542068531 /nfs/dbraw/zinc/06/85/31/542068531.db2.gz YHFCXUPVIIYGPO-BMIGLBTASA-N 0 3 267.319 2.726 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CC2CC2)CC1 ZINC000112719955 375956376 /nfs/dbraw/zinc/95/63/76/375956376.db2.gz FXDJJGIYBUSUEW-CYBMUJFWSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000678797204 542072168 /nfs/dbraw/zinc/07/21/68/542072168.db2.gz DYLOGZARLNTCKK-RHSMWYFYSA-N 0 3 274.408 2.874 20 30 CFEDHN CCC[C@@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000112377506 375914217 /nfs/dbraw/zinc/91/42/17/375914217.db2.gz ADHQSTTUZBOOIN-OAHLLOKOSA-N 0 3 276.380 2.620 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114643582 376076658 /nfs/dbraw/zinc/07/66/58/376076658.db2.gz ROWZJYUXMIQRKG-INIZCTEOSA-N 0 3 272.392 2.733 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1C(C)C ZINC000117350226 376238953 /nfs/dbraw/zinc/23/89/53/376238953.db2.gz TWSGSIRSSQILFV-HUUCEWRRSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCN(CCCCOC)Cc1cccc(C#N)c1 ZINC000117875131 376264699 /nfs/dbraw/zinc/26/46/99/376264699.db2.gz QBNIBXPSSIPCFH-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 ZINC000640101124 383712957 /nfs/dbraw/zinc/71/29/57/383712957.db2.gz OBWBVLTYXMEYRP-KZNAEPCWSA-N 0 3 287.378 2.803 20 30 CFEDHN CC(C)CN1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391416 376291429 /nfs/dbraw/zinc/29/14/29/376291429.db2.gz NEDZKUHBDINFPF-HNNXBMFYSA-N 0 3 271.408 2.893 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(Cc2cccnc2)CC1 ZINC000119765194 376468033 /nfs/dbraw/zinc/46/80/33/376468033.db2.gz LDHBOEOWBHINJB-UHFFFAOYSA-N 0 3 286.423 2.529 20 30 CFEDHN CC(C)N(CC(=O)Nc1cccc(C#N)c1)C1CCC1 ZINC000119761432 376468913 /nfs/dbraw/zinc/46/89/13/376468913.db2.gz VBFIVBBESSFRBU-UHFFFAOYSA-N 0 3 271.364 2.760 20 30 CFEDHN C[C@@H]1CCN(CCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000119977633 376518419 /nfs/dbraw/zinc/51/84/19/376518419.db2.gz ANEKKFNZXHKBGL-KGLIPLIRSA-N 0 3 260.385 2.706 20 30 CFEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C)cc1 ZINC000120540112 376635949 /nfs/dbraw/zinc/63/59/49/376635949.db2.gz PRNMINFEHAXKBA-AEFFLSMTSA-N 0 3 299.418 2.844 20 30 CFEDHN Cc1occc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001243065760 781966689 /nfs/dbraw/zinc/96/66/89/781966689.db2.gz HZAKPOMMHGUUNH-LBPRGKRZSA-N 0 3 299.330 2.994 20 30 CFEDHN C=CCC[C@H](O)CN(C)CCOc1ccccc1C ZINC000121399984 376823582 /nfs/dbraw/zinc/82/35/82/376823582.db2.gz RVWPRCPDWPQKER-HNNXBMFYSA-N 0 3 263.381 2.633 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccoc1 ZINC000122189513 376924198 /nfs/dbraw/zinc/92/41/98/376924198.db2.gz ISSHOGCKXFJUGM-NSHDSACASA-N 0 3 265.272 2.656 20 30 CFEDHN C#CCN(Cc1ccc(OC(C)=O)cc1)C1CCCC1 ZINC000124454865 377052199 /nfs/dbraw/zinc/05/21/99/377052199.db2.gz UQEYQDUZMXKMLU-UHFFFAOYSA-N 0 3 271.360 2.990 20 30 CFEDHN CN(C)[C@H](CNC(=O)c1sccc1C#N)c1ccccc1 ZINC000127987882 377310660 /nfs/dbraw/zinc/31/06/60/377310660.db2.gz KQLANXGYRIWMJO-CQSZACIVSA-N 0 3 299.399 2.652 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000128699685 377353228 /nfs/dbraw/zinc/35/32/28/377353228.db2.gz LWVJYJVHOOKYCZ-SJLPKXTDSA-N 0 3 288.435 2.520 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@](C)(O)C2)c1 ZINC000129460219 377430009 /nfs/dbraw/zinc/43/00/09/377430009.db2.gz HDYABZWJILOYCL-MRXNPFEDSA-N 0 3 261.365 2.598 20 30 CFEDHN CC#CCN(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000129298430 377408709 /nfs/dbraw/zinc/40/87/09/377408709.db2.gz UJEDCUKEIBJKHU-KRWDZBQOSA-N 0 3 256.393 2.606 20 30 CFEDHN CC#CCN(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000129298220 377409135 /nfs/dbraw/zinc/40/91/35/377409135.db2.gz UJEDCUKEIBJKHU-QGZVFWFLSA-N 0 3 256.393 2.606 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H]2CCOC2)C2CC2)s1 ZINC000130022909 377501285 /nfs/dbraw/zinc/50/12/85/377501285.db2.gz INTFEZNCGUHGNV-NSHDSACASA-N 0 3 262.378 2.621 20 30 CFEDHN N#Cc1ccc(CNCC2([C@H](O)c3ccccc3)CC2)o1 ZINC000129680820 377459815 /nfs/dbraw/zinc/45/98/15/377459815.db2.gz FZUYKHNBXRSVLH-MRXNPFEDSA-N 0 3 282.343 2.755 20 30 CFEDHN CC(C)(C)CN1CCCN(c2ncccc2C#N)CC1 ZINC000129702534 377463097 /nfs/dbraw/zinc/46/30/97/377463097.db2.gz FLVMRNUMFUMKDB-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1ccc(N(C)C)nc1 ZINC000679364849 542181923 /nfs/dbraw/zinc/18/19/23/542181923.db2.gz QAXITCCYRWDJOI-UHFFFAOYSA-N 0 3 285.391 2.971 20 30 CFEDHN C=CCOCCNCc1c(C(C)C)nc2sc(C)nn12 ZINC000679486096 542196823 /nfs/dbraw/zinc/19/68/23/542196823.db2.gz QSCMWAOIPZRKKL-UHFFFAOYSA-N 0 3 294.424 2.515 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000679576138 542210871 /nfs/dbraw/zinc/21/08/71/542210871.db2.gz IGAJPEBVGXKZSD-LBPRGKRZSA-N 0 3 292.379 2.507 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1c1cc(C)ccc1C ZINC000133800105 377958512 /nfs/dbraw/zinc/95/85/12/377958512.db2.gz KTBGMPKHNJUJQI-MRXNPFEDSA-N 0 3 272.392 2.743 20 30 CFEDHN Cc1cn2c(n1)CC[C@@H](N[C@@H](C)c1ccc(C#N)s1)C2 ZINC000134852175 378054951 /nfs/dbraw/zinc/05/49/51/378054951.db2.gz NWQZZBBPRLFAHI-NWDGAFQWSA-N 0 3 286.404 2.790 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Cl)cn2)CC1 ZINC000134862555 378055132 /nfs/dbraw/zinc/05/51/32/378055132.db2.gz RVWDRDCCQIGEKB-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN CCCN(Cc1cc(C#N)ccc1F)CC(C)(C)O ZINC000264315291 383725289 /nfs/dbraw/zinc/72/52/89/383725289.db2.gz VVWGLPSEGASDNI-UHFFFAOYSA-N 0 3 264.344 2.680 20 30 CFEDHN Cc1cccc([C@@H](O)CNCc2ccc(C#N)s2)c1 ZINC000136477546 378200636 /nfs/dbraw/zinc/20/06/36/378200636.db2.gz MBCWYGZWDYKFQE-HNNXBMFYSA-N 0 3 272.373 2.751 20 30 CFEDHN CCOc1cccc(CCNCc2ccc(C#N)o2)c1 ZINC000136046518 378176257 /nfs/dbraw/zinc/17/62/57/378176257.db2.gz DIMPFCUMRPSTAW-UHFFFAOYSA-N 0 3 270.332 2.882 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328696827 378416027 /nfs/dbraw/zinc/41/60/27/378416027.db2.gz LBOORMNMHXFQKX-FRRDWIJNSA-N 0 3 293.411 2.857 20 30 CFEDHN C=CCc1cc(CNC[C@@]2(C)CCCO2)cc(OC)c1O ZINC000152945530 378460901 /nfs/dbraw/zinc/46/09/01/378460901.db2.gz WPENNSRAUZNAMZ-QGZVFWFLSA-N 0 3 291.391 2.788 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000329611266 378469059 /nfs/dbraw/zinc/46/90/59/378469059.db2.gz CFGBDHONUCNYCN-ZYHUDNBSSA-N 0 3 277.368 2.585 20 30 CFEDHN C[C@@H]1CCCN(CCNC(=O)c2c[nH]c3cccnc23)C1 ZINC000328778780 378424250 /nfs/dbraw/zinc/42/42/50/378424250.db2.gz LYMXTXYOWNTKBI-GFCCVEGCSA-N 0 3 286.379 2.599 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C[C@H]1CCCCNC1=O ZINC000328778775 378424474 /nfs/dbraw/zinc/42/44/74/378424474.db2.gz DSJHKBYVRRPHDD-BZPMIXESSA-N 0 3 293.411 2.572 20 30 CFEDHN CN1CCC[C@H]1CNC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000328831589 378430398 /nfs/dbraw/zinc/43/03/98/378430398.db2.gz LBPQGWCYFKQJMH-JTQLQIEISA-N 0 3 296.440 2.861 20 30 CFEDHN C[C@@H]1CCCN(CCNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328857414 378432539 /nfs/dbraw/zinc/43/25/39/378432539.db2.gz KPTXATWLDLUVNB-KGLIPLIRSA-N 0 3 295.427 2.822 20 30 CFEDHN N#Cc1cccc(CCNC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000328910389 378439679 /nfs/dbraw/zinc/43/96/79/378439679.db2.gz NJYSAMADDXGUHV-INIZCTEOSA-N 0 3 283.375 2.684 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(CC)C2)CC(=O)N1 ZINC000329682213 378481178 /nfs/dbraw/zinc/48/11/78/378481178.db2.gz SIVOCPTVCACSAO-XQQFMLRXSA-N 0 3 281.400 2.572 20 30 CFEDHN C[C@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)CN1C1CC1 ZINC000329727439 378488136 /nfs/dbraw/zinc/48/81/36/378488136.db2.gz OTTSPLCOLZMZDX-GXTWGEPZSA-N 0 3 292.386 2.565 20 30 CFEDHN O=C(NC[C@@H]1CCCCN1C1CC1)C1CCC(O)CC1 ZINC000329946016 378515930 /nfs/dbraw/zinc/51/59/30/378515930.db2.gz GCNVMCDXXLUZSX-BLZCZZARSA-N 0 3 280.412 2.511 20 30 CFEDHN C=CCN(C)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000154136257 378543187 /nfs/dbraw/zinc/54/31/87/378543187.db2.gz JLAYCNUHVLKAFZ-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN COC1(CN2CCC(F)(C#N)CC2)CCCCC1 ZINC000348707441 284701980 /nfs/dbraw/zinc/70/19/80/284701980.db2.gz IVIJQNUENOMLCH-UHFFFAOYSA-N 0 3 254.349 2.663 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000679823641 542239245 /nfs/dbraw/zinc/23/92/45/542239245.db2.gz NYIXJUGWNZWQLA-SUMWQHHRSA-N 0 3 285.391 2.768 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000330543749 378582317 /nfs/dbraw/zinc/58/23/17/378582317.db2.gz BCSIHWNYCIESFJ-OAGGEKHMSA-N 0 3 294.439 2.568 20 30 CFEDHN CC[C@H]1CC[C@H](C)N1CC(=O)NC(=O)Nc1ccccc1 ZINC000330656333 378594324 /nfs/dbraw/zinc/59/43/24/378594324.db2.gz NKSBPXLKFAXLEM-JSGCOSHPSA-N 0 3 289.379 2.611 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330987606 378610308 /nfs/dbraw/zinc/61/03/08/378610308.db2.gz RKRSDNVTUPHOIO-UHFFFAOYSA-N 0 3 299.418 2.719 20 30 CFEDHN C=CCOc1ccccc1CN(CCO)CCCC ZINC000159094367 378685950 /nfs/dbraw/zinc/68/59/50/378685950.db2.gz MHLRZZLSDLRHHG-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN CC#CCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000156787125 378646768 /nfs/dbraw/zinc/64/67/68/378646768.db2.gz NLPHTBLHKGJXOL-KBPBESRZSA-N 0 3 280.412 2.777 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCOCC1CC1 ZINC000159756821 378729232 /nfs/dbraw/zinc/72/92/32/378729232.db2.gz FDOYSXRJQDHWLQ-CYBMUJFWSA-N 0 3 258.365 2.978 20 30 CFEDHN COc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1C#N ZINC000332466777 378766732 /nfs/dbraw/zinc/76/67/32/378766732.db2.gz QZMXCDYEXSOQCB-UHFFFAOYSA-N 0 3 296.374 2.670 20 30 CFEDHN C[C@H](NCC1(CO)CCC1)c1ccc(C#N)cc1F ZINC000332503825 378770573 /nfs/dbraw/zinc/77/05/73/378770573.db2.gz XNQXTLBTFWYPFJ-NSHDSACASA-N 0 3 262.328 2.511 20 30 CFEDHN C[C@H]1[C@H](C)N(CC#Cc2ccccc2Cl)CCN1C ZINC000334175772 378901057 /nfs/dbraw/zinc/90/10/57/378901057.db2.gz BZLZMHCMIDWGKB-KBPBESRZSA-N 0 3 276.811 2.716 20 30 CFEDHN CC[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000335319377 379079815 /nfs/dbraw/zinc/07/98/15/379079815.db2.gz KFOLUOXVGKKFKS-ZDUSSCGKSA-N 0 3 254.337 2.580 20 30 CFEDHN N#Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000168966049 379100891 /nfs/dbraw/zinc/10/08/91/379100891.db2.gz DHHJSRIKWDXNJN-KKUMJFAQSA-N 0 3 272.348 2.589 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000278728244 194125133 /nfs/dbraw/zinc/12/51/33/194125133.db2.gz MNFSGAKPXPFRDW-JKSUJKDBSA-N 0 3 272.392 2.763 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H](C2CCOCC2)C1 ZINC000335330760 379102464 /nfs/dbraw/zinc/10/24/64/379102464.db2.gz LKPDMIMMKCANAZ-QGZVFWFLSA-N 0 3 270.376 2.807 20 30 CFEDHN COc1ccc(C[C@@H](C)NCC(C)(C)C#N)cc1OC ZINC000169279588 379104879 /nfs/dbraw/zinc/10/48/79/379104879.db2.gz ANNHOJVXKCKJJE-GFCCVEGCSA-N 0 3 276.380 2.774 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278748618 194135704 /nfs/dbraw/zinc/13/57/04/194135704.db2.gz LZMRZJJJYHIMOQ-TZMCWYRMSA-N 0 3 298.308 2.866 20 30 CFEDHN CN1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000335377419 379188454 /nfs/dbraw/zinc/18/84/54/379188454.db2.gz ZREZZGDOLHXYKI-UHFFFAOYSA-N 0 3 271.408 2.625 20 30 CFEDHN N#CCCCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000171033639 379215695 /nfs/dbraw/zinc/21/56/95/379215695.db2.gz IBMRWSATOMKALJ-UHFFFAOYSA-N 0 3 291.420 2.590 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3ncccc3c2)CC1 ZINC000171714705 379383416 /nfs/dbraw/zinc/38/34/16/379383416.db2.gz BMZBVKGWISBNEW-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000171723737 379385698 /nfs/dbraw/zinc/38/56/98/379385698.db2.gz CDXGWEKOVHGBCM-UHFFFAOYSA-N 0 3 298.430 2.946 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(CC#N)c2)CC1 ZINC000171728807 379388038 /nfs/dbraw/zinc/38/80/38/379388038.db2.gz JYEXXTCVQWMWNF-UHFFFAOYSA-N 0 3 297.402 2.523 20 30 CFEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1cccc(C#N)c1 ZINC000171734387 379390047 /nfs/dbraw/zinc/39/00/47/379390047.db2.gz CSAKXCNTAWTUTB-LBPRGKRZSA-N 0 3 274.364 2.768 20 30 CFEDHN C[C@@H](N[C@@H]1CCSC1)c1ccc(C#N)cc1F ZINC000334467581 379351090 /nfs/dbraw/zinc/35/10/90/379351090.db2.gz WSIXGOPYGOELNP-MWLCHTKSSA-N 0 3 250.342 2.853 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000264414147 383737013 /nfs/dbraw/zinc/73/70/13/383737013.db2.gz USODDZBEFFNIDT-UHFFFAOYSA-N 0 3 298.390 2.720 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000334567499 379542335 /nfs/dbraw/zinc/54/23/35/379542335.db2.gz WUWGRXMZNPCWAS-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2cccs2)CC1 ZINC000172349837 379546658 /nfs/dbraw/zinc/54/66/58/379546658.db2.gz NGLYRARNOBKXSA-LBPRGKRZSA-N 0 3 278.421 2.618 20 30 CFEDHN CC1(C)CN(CCC2(C#N)CCCCC2)CC[C@@H]1O ZINC000334553650 379514514 /nfs/dbraw/zinc/51/45/14/379514514.db2.gz IHJYWALXPAODBY-AWEZNQCLSA-N 0 3 264.413 2.943 20 30 CFEDHN N#Cc1cccc(C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000172419589 379565511 /nfs/dbraw/zinc/56/55/11/379565511.db2.gz WOXJZXOIHPGJKL-UHFFFAOYSA-N 0 3 297.402 2.649 20 30 CFEDHN N#Cc1ccc(N2CCN(CCC3CCCC3)CC2)nc1 ZINC000172760001 379641829 /nfs/dbraw/zinc/64/18/29/379641829.db2.gz XXCSNCHMNXHZCY-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CCCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000172651873 379615403 /nfs/dbraw/zinc/61/54/03/379615403.db2.gz GKNHYZSJZPQQGP-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000335671462 379694985 /nfs/dbraw/zinc/69/49/85/379694985.db2.gz MBSUBDNPRJLEOK-FZMZJTMJSA-N 0 3 260.312 2.519 20 30 CFEDHN COc1ccc(C2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000335775539 379868965 /nfs/dbraw/zinc/86/89/65/379868965.db2.gz TWQIBQUURKEIEU-GFCCVEGCSA-N 0 3 272.348 2.561 20 30 CFEDHN COc1cccc(O[C@H](C)CNCc2ccc(C#N)o2)c1 ZINC000174587409 379914134 /nfs/dbraw/zinc/91/41/34/379914134.db2.gz LDLAIHQPOQOCOG-GFCCVEGCSA-N 0 3 286.331 2.717 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)o2)C12CCCC2 ZINC000174654362 379923923 /nfs/dbraw/zinc/92/39/23/379923923.db2.gz OGNFVUZWJQTLIB-LSDHHAIUSA-N 0 3 274.364 2.979 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCCC2 ZINC000174654386 379924371 /nfs/dbraw/zinc/92/43/71/379924371.db2.gz OGNFVUZWJQTLIB-HUUCEWRRSA-N 0 3 274.364 2.979 20 30 CFEDHN C[C@@]1(CNCc2cc(C#N)cs2)CCCC[C@H]1O ZINC000174938640 379964985 /nfs/dbraw/zinc/96/49/85/379964985.db2.gz YGXYBXSUOFCTJG-KGLIPLIRSA-N 0 3 264.394 2.651 20 30 CFEDHN C[C@H](N[C@@H]1COCC1(C)C)c1ccc(C#N)cc1F ZINC000335223740 380033885 /nfs/dbraw/zinc/03/38/85/380033885.db2.gz PCDAXBSYEOWNHU-IINYFYTJSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@H]1CSC[C@@H]1NCc1ccc(C#N)cc1F ZINC000335202058 380000234 /nfs/dbraw/zinc/00/02/34/380000234.db2.gz PXBCLEMYHLLVFN-ZANVPECISA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@H]1CSC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000335202103 380000330 /nfs/dbraw/zinc/00/03/30/380000330.db2.gz XJMQEPDCVHQGGN-ZANVPECISA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@H]1CC(C)(C)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000335208060 380010741 /nfs/dbraw/zinc/01/07/41/380010741.db2.gz OVDGWYGDVHYOHP-XJKSGUPXSA-N 0 3 295.386 2.888 20 30 CFEDHN C=C(C)CN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175380714 380054631 /nfs/dbraw/zinc/05/46/31/380054631.db2.gz XLDISFDQHCPLFM-SJCJKPOMSA-N 0 3 251.395 2.993 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000335888938 380056661 /nfs/dbraw/zinc/05/66/61/380056661.db2.gz ASDJAEIDIBVGGB-ZIAGYGMSSA-N 0 3 262.378 2.763 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCN(CC3CCCCC3)CC2)C1 ZINC000335909801 380091513 /nfs/dbraw/zinc/09/15/13/380091513.db2.gz XIPJZAVKTFZWPD-SJORKVTESA-N 0 3 275.440 2.877 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000335909208 380091665 /nfs/dbraw/zinc/09/16/65/380091665.db2.gz IEJOPMLWLHRYOO-ZANVPECISA-N 0 3 296.729 2.539 20 30 CFEDHN C[C@H]1[C@H](C)N(CC#Cc2ccc(Cl)cc2)CCN1C ZINC000336126057 380272250 /nfs/dbraw/zinc/27/22/50/380272250.db2.gz RGPREDLFMUESNR-KBPBESRZSA-N 0 3 276.811 2.716 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CC2CC(F)(F)C2)CC1 ZINC000336268481 380304375 /nfs/dbraw/zinc/30/43/75/380304375.db2.gz SXXVJYNKNYUGEO-UHFFFAOYSA-N 0 3 291.345 2.984 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000336303574 380312266 /nfs/dbraw/zinc/31/22/66/380312266.db2.gz UWBVHDCIMFHBBQ-SDBXPKJASA-N 0 3 264.275 2.618 20 30 CFEDHN N#Cc1csc(CNC[C@H](O)C2CCCCC2)c1 ZINC000177695571 380369744 /nfs/dbraw/zinc/36/97/44/380369744.db2.gz ZDANXLIUZTXAEL-AWEZNQCLSA-N 0 3 264.394 2.651 20 30 CFEDHN CCN1CCCC[C@H]1CNCc1cc(C#N)cs1 ZINC000177699094 380370811 /nfs/dbraw/zinc/37/08/11/380370811.db2.gz MZQVDHFLEDWKTE-ZDUSSCGKSA-N 0 3 263.410 2.584 20 30 CFEDHN CO[C@]1(C)C[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000177708344 380371292 /nfs/dbraw/zinc/37/12/92/380371292.db2.gz PJIKIDRGXMZGJM-GXTWGEPZSA-N 0 3 264.394 2.913 20 30 CFEDHN N#CCC[C@@H](C#N)CNC1CCc2ccccc2CC1 ZINC000574750340 335044364 /nfs/dbraw/zinc/04/43/64/335044364.db2.gz PBGDRTYMIBIDLC-AWEZNQCLSA-N 0 3 267.376 2.967 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000336518579 380399199 /nfs/dbraw/zinc/39/91/99/380399199.db2.gz UDEWTFUUHCMGMQ-MRXNPFEDSA-N 0 3 266.348 2.592 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000177983853 380399457 /nfs/dbraw/zinc/39/94/57/380399457.db2.gz JJROGIDBKSSNMA-HZPDHXFCSA-N 0 3 256.349 2.559 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000178574621 380466411 /nfs/dbraw/zinc/46/64/11/380466411.db2.gz AALFRAWLQOWHOO-INIZCTEOSA-N 0 3 274.408 2.934 20 30 CFEDHN CCCN(Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC000179458520 380546694 /nfs/dbraw/zinc/54/66/94/380546694.db2.gz RFBLLUPHNHYZDM-UHFFFAOYSA-N 0 3 254.337 2.694 20 30 CFEDHN N#Cc1csc(CN[C@H]2COc3ccc(F)cc3C2)c1 ZINC000336617744 380557775 /nfs/dbraw/zinc/55/77/75/380557775.db2.gz VSKLMKCXVARXPQ-CYBMUJFWSA-N 0 3 288.347 2.852 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000179797495 380581634 /nfs/dbraw/zinc/58/16/34/380581634.db2.gz IADMUOIUFITOCH-UHFFFAOYSA-N 0 3 254.337 2.580 20 30 CFEDHN N#Cc1ccc2nc(N3CCCN(C4CC4)CC3)ccc2c1 ZINC000179900340 380593109 /nfs/dbraw/zinc/59/31/09/380593109.db2.gz GSMKFEPYELIAKZ-UHFFFAOYSA-N 0 3 292.386 2.781 20 30 CFEDHN Cc1cc(C#N)cc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000336713527 380605021 /nfs/dbraw/zinc/60/50/21/380605021.db2.gz NBSIMNMYCZAEFC-KRWDZBQOSA-N 0 3 292.386 2.948 20 30 CFEDHN C[C@H](NCCn1cc(Cl)cn1)c1ccc(C#N)cc1 ZINC000336809969 380668460 /nfs/dbraw/zinc/66/84/60/380668460.db2.gz GSFOSKXHYCUUES-NSHDSACASA-N 0 3 274.755 2.759 20 30 CFEDHN CC[C@H](NCc1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000180558131 380676343 /nfs/dbraw/zinc/67/63/43/380676343.db2.gz LRHSQIAPGFQFLV-INIZCTEOSA-N 0 3 284.363 2.563 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cncc3ccccc32)CC1 ZINC000264504851 383748203 /nfs/dbraw/zinc/74/82/03/383748203.db2.gz RDLWNJLXVRDFAR-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCCN(CC)C1CC1 ZINC000180708618 380692120 /nfs/dbraw/zinc/69/21/20/380692120.db2.gz GUEICMNHCRZTET-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000529715379 383749698 /nfs/dbraw/zinc/74/96/98/383749698.db2.gz FOPRMZNWTYXCRH-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000181436993 380792461 /nfs/dbraw/zinc/79/24/61/380792461.db2.gz XLTBNVAAHWZHGW-DOMZBBRYSA-N 0 3 285.334 2.569 20 30 CFEDHN C[C@H](NCC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000341167915 380812351 /nfs/dbraw/zinc/81/23/51/380812351.db2.gz UDYXTBZGAPBQNK-AWEZNQCLSA-N 0 3 293.370 2.525 20 30 CFEDHN COc1cc(CN2C[C@H]3CCCC[C@H]32)ccc1C#N ZINC000367955678 380865379 /nfs/dbraw/zinc/86/53/79/380865379.db2.gz KMKPOOJEMTUTEO-HUUCEWRRSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cnc(CC(C)C)s1 ZINC000341257290 380871431 /nfs/dbraw/zinc/87/14/31/380871431.db2.gz JZARBEBBDDLIHW-GFCCVEGCSA-N 0 3 268.426 2.616 20 30 CFEDHN C[C@@H](NCCNC(=O)c1ccccc1)c1cccc(C#N)c1 ZINC000181615277 380843804 /nfs/dbraw/zinc/84/38/04/380843804.db2.gz CTKSIBCLNSWZGE-CQSZACIVSA-N 0 3 293.370 2.639 20 30 CFEDHN CCNC(=O)C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358437073 380845823 /nfs/dbraw/zinc/84/58/23/380845823.db2.gz DNSQSJVYHAEPNZ-NSHDSACASA-N 0 3 291.370 2.510 20 30 CFEDHN CC(C)[C@H](CCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358559922 380926937 /nfs/dbraw/zinc/92/69/37/380926937.db2.gz DXFGCJIARJEWQQ-NHYWBVRUSA-N 0 3 264.344 2.755 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCC4(CCC4)CC3)n2c1 ZINC000368036401 380896186 /nfs/dbraw/zinc/89/61/86/380896186.db2.gz IXOKLAAJLUUDQU-UHFFFAOYSA-N 0 3 280.375 2.972 20 30 CFEDHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1ccc(C#N)cc1F ZINC000341294945 380910211 /nfs/dbraw/zinc/91/02/11/380910211.db2.gz HXOZMUGJZUHSBT-GARJFASQSA-N 0 3 250.317 2.507 20 30 CFEDHN C#Cc1ccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1 ZINC000295535774 380924775 /nfs/dbraw/zinc/92/47/75/380924775.db2.gz RRWDXWROZINDQK-ZNMIVQPWSA-N 0 3 284.403 2.545 20 30 CFEDHN Cc1sc(NC(=O)CN[C@@H]2CCC[C@@H]2C)c(C#N)c1C ZINC000279262584 194357658 /nfs/dbraw/zinc/35/76/58/194357658.db2.gz MJVVNOJTHSNOKR-TVQRCGJNSA-N 0 3 291.420 2.953 20 30 CFEDHN Cn1cncc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353910852 380949863 /nfs/dbraw/zinc/94/98/63/380949863.db2.gz AGNJVNMATRVZGI-MRXNPFEDSA-N 0 3 268.364 2.945 20 30 CFEDHN Cc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccc1C#N ZINC000347121493 380955229 /nfs/dbraw/zinc/95/52/29/380955229.db2.gz GBUYAXSEFFOQEZ-GOSISDBHSA-N 0 3 293.370 2.915 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000341385216 380981488 /nfs/dbraw/zinc/98/14/88/380981488.db2.gz SNKLQKCRPFBGOS-UKRRQHHQSA-N 0 3 281.444 2.713 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1cccc(C#N)c1 ZINC000182071519 380983092 /nfs/dbraw/zinc/98/30/92/380983092.db2.gz XCFHPODNSLBMGF-RHSMWYFYSA-N 0 3 292.386 2.883 20 30 CFEDHN C[C@@H](CO)N(CC#Cc1ccccc1)C1CCCC1 ZINC000287786609 380939524 /nfs/dbraw/zinc/93/95/24/380939524.db2.gz NSRGSKKONIRJBF-HNNXBMFYSA-N 0 3 257.377 2.664 20 30 CFEDHN C[C@H](NCCNc1ccccn1)c1ccc(C#N)cc1F ZINC000358580558 380944551 /nfs/dbraw/zinc/94/45/51/380944551.db2.gz XZNMQQODRPCZGP-LBPRGKRZSA-N 0 3 284.338 2.855 20 30 CFEDHN CN(CCC#N)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411188980 381014693 /nfs/dbraw/zinc/01/46/93/381014693.db2.gz RVXNQCIDGWJGSF-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN CC(=O)NC[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411196764 381015953 /nfs/dbraw/zinc/01/59/53/381015953.db2.gz KDJCBORFUTYRNM-MRXNPFEDSA-N 0 3 291.439 2.699 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC000411216253 381018035 /nfs/dbraw/zinc/01/80/35/381018035.db2.gz JHXMKFLBLAEFEA-LBPRGKRZSA-N 0 3 266.385 2.732 20 30 CFEDHN COc1cc(C#N)ccc1CNC1(CCO)CCCCC1 ZINC000347240100 381022655 /nfs/dbraw/zinc/02/26/55/381022655.db2.gz REIYPRCWEZNGFB-UHFFFAOYSA-N 0 3 288.391 2.742 20 30 CFEDHN CC(CCN(C)[C@H](C)CC#N)CCN(C)[C@H](C)CC#N ZINC000411314702 381023221 /nfs/dbraw/zinc/02/32/21/381023221.db2.gz FQOTWCCBUFVWPK-HZPDHXFCSA-N 0 3 278.444 2.871 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000411332134 381023851 /nfs/dbraw/zinc/02/38/51/381023851.db2.gz MYTIWPKDVXJTFQ-JKSUJKDBSA-N 0 3 299.418 2.821 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](c1ccc(F)cn1)C(C)C ZINC000354022792 381027125 /nfs/dbraw/zinc/02/71/25/381027125.db2.gz UBDCXTVBLQIZGK-WFASDCNBSA-N 0 3 266.360 2.692 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000411552076 381032028 /nfs/dbraw/zinc/03/20/28/381032028.db2.gz NEQKJABOTLCULY-OLZOCXBDSA-N 0 3 266.385 2.732 20 30 CFEDHN C=C(CNC(=O)N(CCN(C)C)C(C)C)c1ccccc1 ZINC000287990287 380987660 /nfs/dbraw/zinc/98/76/60/380987660.db2.gz KMFHVUWBZSZRIG-UHFFFAOYSA-N 0 3 289.423 2.681 20 30 CFEDHN C[C@H](CCC#N)N1CCC(n2cc(Cl)cn2)CC1 ZINC000411496231 381030102 /nfs/dbraw/zinc/03/01/02/381030102.db2.gz LKDCTWDNIJIIOV-LLVKDONJSA-N 0 3 266.776 2.866 20 30 CFEDHN C=C(C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287985726 380988150 /nfs/dbraw/zinc/98/81/50/380988150.db2.gz KRCOKCQMSCZHPL-HIFRSBDPSA-N 0 3 275.396 2.553 20 30 CFEDHN Cc1cc(CCN[C@H](C)c2ccc(C#N)c(F)c2)on1 ZINC000353985473 381000319 /nfs/dbraw/zinc/00/03/19/381000319.db2.gz CKROEFJEEQRGOZ-LLVKDONJSA-N 0 3 273.311 2.887 20 30 CFEDHN C=C(CNC(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC000288074328 381004566 /nfs/dbraw/zinc/00/45/66/381004566.db2.gz GGUWFCBKELVKKD-MRXNPFEDSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CC[C@H](CC)NCc1cnc(C2OCCO2)s1 ZINC000289623138 381073142 /nfs/dbraw/zinc/07/31/42/381073142.db2.gz KBENWBUDTGKENJ-JTQLQIEISA-N 0 3 268.382 2.633 20 30 CFEDHN CCCN(CCN1CCCCC1)Cc1cc(C#N)n(C)c1 ZINC000289565450 381045280 /nfs/dbraw/zinc/04/52/80/381045280.db2.gz JHJQOPLIUQJMAC-UHFFFAOYSA-N 0 3 288.439 2.595 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](c1nncn1C)C(C)C ZINC000289683033 381100278 /nfs/dbraw/zinc/10/02/78/381100278.db2.gz ZTDWHPWQHMCNKC-YNEHKIRRSA-N 0 3 250.390 2.703 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCSc2cc(C)c(C)cc21 ZINC000289682777 381100440 /nfs/dbraw/zinc/10/04/40/381100440.db2.gz HTYYPYPXBAOKFC-JSGCOSHPSA-N 0 3 263.406 2.977 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@](CC)(CO)C2)cc1 ZINC000289719807 381119885 /nfs/dbraw/zinc/11/98/85/381119885.db2.gz OIJSBNZLRYTDTA-KRWDZBQOSA-N 0 3 257.377 2.652 20 30 CFEDHN CC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182628920 381124672 /nfs/dbraw/zinc/12/46/72/381124672.db2.gz WRHDYCDLYGVUSU-KRWDZBQOSA-N 0 3 297.402 2.786 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000368792856 381136628 /nfs/dbraw/zinc/13/66/28/381136628.db2.gz YNBMANWYDLLALB-QGZVFWFLSA-N 0 3 270.376 2.949 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000182881323 381177088 /nfs/dbraw/zinc/17/70/88/381177088.db2.gz YRGDUIYHUJHZIS-KDOFPFPSSA-N 0 3 299.418 2.763 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000182938366 381186420 /nfs/dbraw/zinc/18/64/20/381186420.db2.gz XYAFBAAZZPBINI-HNNXBMFYSA-N 0 3 287.407 2.716 20 30 CFEDHN COc1cc(CN2CC[C@H](C3CC3)C2)ccc1C#N ZINC000369111467 381195528 /nfs/dbraw/zinc/19/55/28/381195528.db2.gz HDXOCHCKGODCIC-HNNXBMFYSA-N 0 3 256.349 2.799 20 30 CFEDHN CC(C#N)C(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000354320910 381199896 /nfs/dbraw/zinc/19/98/96/381199896.db2.gz VGEOHSWXXBGKGL-CQSZACIVSA-N 0 3 286.375 2.649 20 30 CFEDHN CC1(C)C[C@@H](O)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000296090864 381250929 /nfs/dbraw/zinc/25/09/29/381250929.db2.gz PQRJQKISDBGHDR-INIZCTEOSA-N 0 3 275.367 2.660 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000289924799 381219854 /nfs/dbraw/zinc/21/98/54/381219854.db2.gz VCWQSDWQHIFCMM-WCBMZHEXSA-N 0 3 288.160 2.786 20 30 CFEDHN C=CCc1cc(CN[C@@H]2C[C@@H]2C(F)F)cc(OC)c1O ZINC000342203090 381220665 /nfs/dbraw/zinc/22/06/65/381220665.db2.gz HFHXEQJSZJEXQE-NWDGAFQWSA-N 0 3 283.318 2.873 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000342224116 381222297 /nfs/dbraw/zinc/22/22/97/381222297.db2.gz MVIHVPHNHWFZOA-CHWSQXEVSA-N 0 3 253.292 2.995 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)cc2F)cc1 ZINC000342309759 381268881 /nfs/dbraw/zinc/26/88/81/381268881.db2.gz ZNKIMMMKEDUDSF-KRWDZBQOSA-N 0 3 298.361 2.699 20 30 CFEDHN C[C@@H](N[C@@H](CO)CC1CCC1)c1ccc(C#N)cc1F ZINC000359033461 381225680 /nfs/dbraw/zinc/22/56/80/381225680.db2.gz GFZAYIWNBJCAIH-BXUZGUMPSA-N 0 3 276.355 2.899 20 30 CFEDHN N#CC(C(=O)c1ccnc2ccccc21)c1ccncn1 ZINC000354405748 381245955 /nfs/dbraw/zinc/24/59/55/381245955.db2.gz JCKBKZPDQHPKNA-CYBMUJFWSA-N 0 3 274.283 2.515 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000289984706 381248324 /nfs/dbraw/zinc/24/83/24/381248324.db2.gz YBHBZJLAIHNHAZ-GXSJLCMTSA-N 0 3 275.270 2.783 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)s1 ZINC000289986113 381248745 /nfs/dbraw/zinc/24/87/45/381248745.db2.gz XFNOMSRGKVNGSC-SJORKVTESA-N 0 3 298.411 2.876 20 30 CFEDHN C#C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)C(C)(C)C ZINC000290112656 381305007 /nfs/dbraw/zinc/30/50/07/381305007.db2.gz IISYQEDABAYWKG-INIZCTEOSA-N 0 3 284.403 2.733 20 30 CFEDHN CC#CCCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296167833 381284071 /nfs/dbraw/zinc/28/40/71/381284071.db2.gz HQMVCSVBFSYLRI-AWEZNQCLSA-N 0 3 251.757 2.719 20 30 CFEDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(C)C#N)cc1 ZINC000347729528 381319324 /nfs/dbraw/zinc/31/93/24/381319324.db2.gz HSGXZEPQAYNEEK-KBMXLJTQSA-N 0 3 286.375 2.739 20 30 CFEDHN C=CCOCCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296343603 381354580 /nfs/dbraw/zinc/35/45/80/381354580.db2.gz PZZCOYGBMHNSRZ-AWEZNQCLSA-N 0 3 269.772 2.508 20 30 CFEDHN CCCn1ccnc1CCCN(C)Cc1cc(C#N)n(C)c1 ZINC000290540024 381472628 /nfs/dbraw/zinc/47/26/28/381472628.db2.gz RDQACXLOKDDWQK-UHFFFAOYSA-N 0 3 299.422 2.568 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359566501 381476211 /nfs/dbraw/zinc/47/62/11/381476211.db2.gz VVDYNSSWWIKRQH-RDJZCZTQSA-N 0 3 276.424 2.699 20 30 CFEDHN C=CCN(CCc1cnn(C)c1)Cc1cccs1 ZINC000348276937 381477722 /nfs/dbraw/zinc/47/77/22/381477722.db2.gz PZCJCVFVBOKZLM-UHFFFAOYSA-N 0 3 261.394 2.712 20 30 CFEDHN C=CCOCCCNC(C)(C)c1ncc(C)s1 ZINC000348047035 381456923 /nfs/dbraw/zinc/45/69/23/381456923.db2.gz FCRZRXZSWGJKDJ-UHFFFAOYSA-N 0 3 254.399 2.869 20 30 CFEDHN C=C(C)CN(C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348072491 381460315 /nfs/dbraw/zinc/46/03/15/381460315.db2.gz BDILSNWWIYJSIU-CHWSQXEVSA-N 0 3 283.416 2.563 20 30 CFEDHN CC(C)[C@@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348062234 381461077 /nfs/dbraw/zinc/46/10/77/381461077.db2.gz CIFCHEBKZGJTJW-CZUORRHYSA-N 0 3 283.375 2.743 20 30 CFEDHN C=C(C)CN(C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348072495 381461202 /nfs/dbraw/zinc/46/12/02/381461202.db2.gz BDILSNWWIYJSIU-QWHCGFSZSA-N 0 3 283.416 2.563 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCSC1)C(C)C ZINC000354804651 381462647 /nfs/dbraw/zinc/46/26/47/381462647.db2.gz PQYSWHNQIKPENG-CABCVRRESA-N 0 3 296.480 2.554 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000342727095 381503851 /nfs/dbraw/zinc/50/38/51/381503851.db2.gz ATDCCCPXMXQLEH-OAHLLOKOSA-N 0 3 274.408 2.850 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000342737195 381509994 /nfs/dbraw/zinc/50/99/94/381509994.db2.gz QIPDSNFOTKNERW-KBPBESRZSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000342740176 381512258 /nfs/dbraw/zinc/51/22/58/381512258.db2.gz QRYZJZFRUROSSG-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000359627482 381519448 /nfs/dbraw/zinc/51/94/48/381519448.db2.gz CRGQDUWNTIHAHZ-WDEREUQCSA-N 0 3 254.761 2.570 20 30 CFEDHN COC[C@]1(C)CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000296654363 381491740 /nfs/dbraw/zinc/49/17/40/381491740.db2.gz JGLKUCINEHSFJD-XJKSGUPXSA-N 0 3 258.365 2.978 20 30 CFEDHN COC[C@]1(C)CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000296654362 381491942 /nfs/dbraw/zinc/49/19/42/381491942.db2.gz JGLKUCINEHSFJD-CZUORRHYSA-N 0 3 258.365 2.978 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(OCC)cc1 ZINC000342721424 381500390 /nfs/dbraw/zinc/50/03/90/381500390.db2.gz LUVOGDAXSQQJCO-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN C=CCCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290622293 381501694 /nfs/dbraw/zinc/50/16/94/381501694.db2.gz XIMOTEQYSNADKQ-HUUCEWRRSA-N 0 3 287.359 2.763 20 30 CFEDHN C=CC1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359606077 381501877 /nfs/dbraw/zinc/50/18/77/381501877.db2.gz VTLIWWADMRKCIM-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN COc1ccc([C@H](CN(C)C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000342795006 381545858 /nfs/dbraw/zinc/54/58/58/381545858.db2.gz VKCZYVOEYZWVDO-LXZKKBNFSA-N 0 3 287.407 2.580 20 30 CFEDHN C=C1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000342794293 381546135 /nfs/dbraw/zinc/54/61/35/381546135.db2.gz XJYVFAXRNRBQDV-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1nccc2ccccc21 ZINC000290781012 381549146 /nfs/dbraw/zinc/54/91/46/381549146.db2.gz TXRJHENLWSKBNZ-TZMCWYRMSA-N 0 3 256.349 2.822 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000354984612 381550470 /nfs/dbraw/zinc/55/04/70/381550470.db2.gz WIBQYKCKGBRWNO-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCC(C)(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000185069696 381527963 /nfs/dbraw/zinc/52/79/63/381527963.db2.gz LEEXNJMLGTVLTA-UHFFFAOYSA-N 0 3 258.365 2.736 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(CCC)CCN1CCCCC1 ZINC000342778385 381532816 /nfs/dbraw/zinc/53/28/16/381532816.db2.gz ITOHQHXGIQBGJU-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414243115 381573072 /nfs/dbraw/zinc/57/30/72/381573072.db2.gz QVQKPDJIPCLRAP-QWHCGFSZSA-N 0 3 281.421 2.780 20 30 CFEDHN CC#CCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000185274172 381583815 /nfs/dbraw/zinc/58/38/15/381583815.db2.gz XDUJLBHFFNVORF-LBPRGKRZSA-N 0 3 285.313 2.952 20 30 CFEDHN CCS[C@@H]1CCC[C@H]1NC[C@H](C#N)CCC#N ZINC000348466526 381580089 /nfs/dbraw/zinc/58/00/89/381580089.db2.gz GJBJZIMKLVVSEA-YNEHKIRRSA-N 0 3 251.399 2.694 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348415324 381559016 /nfs/dbraw/zinc/55/90/16/381559016.db2.gz YWUNKBXNVYDWSG-LSDHHAIUSA-N 0 3 276.428 2.833 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414108423 381561831 /nfs/dbraw/zinc/56/18/31/381561831.db2.gz LRTMPLXGVGGVDU-DZGCQCFKSA-N 0 3 292.810 2.868 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCC[C@H]2OC(F)F)c1F ZINC000348522366 381606105 /nfs/dbraw/zinc/60/61/05/381606105.db2.gz XANVBTFSCDYWGP-VXGBXAGGSA-N 0 3 284.281 2.947 20 30 CFEDHN COc1ccc(CN2CC[C@H]3CCC[C@@H]32)cc1C#N ZINC000355096513 381608108 /nfs/dbraw/zinc/60/81/08/381608108.db2.gz CKKGTGLIYKTXLB-HIFRSBDPSA-N 0 3 256.349 2.941 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCC[C@H]1SCC ZINC000348478235 381584789 /nfs/dbraw/zinc/58/47/89/381584789.db2.gz LUXAFQRUDHGZIV-ZIAGYGMSSA-N 0 3 284.469 2.675 20 30 CFEDHN C=CC[C@H](CC)NCc1ccc(S(C)(=O)=O)s1 ZINC000414450422 381586664 /nfs/dbraw/zinc/58/66/64/381586664.db2.gz XOZHGKWWHFBJBJ-JTQLQIEISA-N 0 3 273.423 2.596 20 30 CFEDHN CC(C)C[C@H](CO)N(C)Cc1ccc(F)c(C#N)c1 ZINC000185314468 381594816 /nfs/dbraw/zinc/59/48/16/381594816.db2.gz KCTOQQNPQPQCRE-CQSZACIVSA-N 0 3 264.344 2.536 20 30 CFEDHN COc1ccc(C[C@@H](C)CNC[C@@H](C)C#N)cc1F ZINC000185323980 381597273 /nfs/dbraw/zinc/59/72/73/381597273.db2.gz UEXYKAZVOIUOTJ-NEPJUHHUSA-N 0 3 264.344 2.762 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C(C)C)C2)CCC1 ZINC000359802043 381616331 /nfs/dbraw/zinc/61/63/31/381616331.db2.gz OBYJNIKDIMSENR-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1OC ZINC000348562449 381637737 /nfs/dbraw/zinc/63/77/37/381637737.db2.gz ZGUIXGYOOJTGIN-CABCVRRESA-N 0 3 291.391 2.605 20 30 CFEDHN C#CCOc1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1 ZINC000291028290 381638612 /nfs/dbraw/zinc/63/86/12/381638612.db2.gz BABBKBGOTREXGY-MRXNPFEDSA-N 0 3 273.376 2.698 20 30 CFEDHN CC#CCCCC(=O)N(CCN(C)C)c1ccccc1 ZINC000185546904 381664097 /nfs/dbraw/zinc/66/40/97/381664097.db2.gz DLKMMMRPJXAKJO-UHFFFAOYSA-N 0 3 272.392 2.775 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000371533720 381651693 /nfs/dbraw/zinc/65/16/93/381651693.db2.gz JEACEWSCMXDIRV-HUUCEWRRSA-N 0 3 266.429 2.900 20 30 CFEDHN C[C@@H](CN1CCCCC1)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000359982614 381711205 /nfs/dbraw/zinc/71/12/05/381711205.db2.gz XQJQSWFHTNAZMX-GJZGRUSLSA-N 0 3 299.418 2.652 20 30 CFEDHN CN(CCCN(C)c1cccnc1C#N)Cc1ccco1 ZINC000291272205 381730443 /nfs/dbraw/zinc/73/04/43/381730443.db2.gz ZVYYFQSIYJWCTO-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN CN(CC[C@@H]1CCCO1)Cc1ccc(C#N)s1 ZINC000343471979 381736400 /nfs/dbraw/zinc/73/64/00/381736400.db2.gz PYTORBVFBCJTLU-NSHDSACASA-N 0 3 250.367 2.621 20 30 CFEDHN Cc1c(Cl)cnc(NCCN2CCCCCC2)c1C#N ZINC000343473356 381738621 /nfs/dbraw/zinc/73/86/21/381738621.db2.gz INUZLFMTYALLQP-UHFFFAOYSA-N 0 3 292.814 2.625 20 30 CFEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000185808553 381740108 /nfs/dbraw/zinc/74/01/08/381740108.db2.gz QDYDDLRCHCTTFL-UHFFFAOYSA-N 0 3 292.448 2.832 20 30 CFEDHN N#Cc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291321051 381747865 /nfs/dbraw/zinc/74/78/65/381747865.db2.gz STEQEHBYTSQTIZ-IBGZPJMESA-N 0 3 292.382 2.694 20 30 CFEDHN CC(C)(C)CCN1CCN(c2ncccc2C#N)CC1 ZINC000298802802 381752446 /nfs/dbraw/zinc/75/24/46/381752446.db2.gz ZRKRXBXHDHRZMM-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN N#CCC1(CN[C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343497734 381752883 /nfs/dbraw/zinc/75/28/83/381752883.db2.gz RLMPLOHBYJICEP-AWEZNQCLSA-N 0 3 259.328 2.955 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCCOc2ncccc2Cl)C1 ZINC000185855756 381757668 /nfs/dbraw/zinc/75/76/68/381757668.db2.gz IUCMMCDYUOZDFH-NEPJUHHUSA-N 0 3 279.771 2.786 20 30 CFEDHN C=CCOCCCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000343540795 381784308 /nfs/dbraw/zinc/78/43/08/381784308.db2.gz GNTLLBNVYLPIQN-CVEARBPZSA-N 0 3 279.355 2.526 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952653 381786710 /nfs/dbraw/zinc/78/67/10/381786710.db2.gz HHDUDUVSMNOYHF-JKSUJKDBSA-N 0 3 284.403 2.598 20 30 CFEDHN CCCN(C)CC(=O)N(CCC#N)CC(CC)CC ZINC000355642834 381789358 /nfs/dbraw/zinc/78/93/58/381789358.db2.gz ZHSCTAYGUYAWIA-UHFFFAOYSA-N 0 3 267.417 2.507 20 30 CFEDHN C=CCN(CC=C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355757832 381800868 /nfs/dbraw/zinc/80/08/68/381800868.db2.gz KPELOHGPJAEERH-KRWDZBQOSA-N 0 3 256.393 2.935 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360068420 381760446 /nfs/dbraw/zinc/76/04/46/381760446.db2.gz IZHIBVXTEHBIFT-UNEWFSDZSA-N 0 3 299.418 2.891 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000185881821 381768114 /nfs/dbraw/zinc/76/81/14/381768114.db2.gz QFOXJAAMAVLNDZ-QWHCGFSZSA-N 0 3 259.309 2.767 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](n2cccn2)C1 ZINC000291772968 381771161 /nfs/dbraw/zinc/77/11/61/381771161.db2.gz LTYAVZARJUBPKU-XJKSGUPXSA-N 0 3 266.348 2.763 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](n2cccn2)C1 ZINC000291772959 381771538 /nfs/dbraw/zinc/77/15/38/381771538.db2.gz LTYAVZARJUBPKU-BBRMVZONSA-N 0 3 266.348 2.763 20 30 CFEDHN N#CCCCOc1cccc(CNCCN2CC=CCC2)c1 ZINC000355538316 381780520 /nfs/dbraw/zinc/78/05/20/381780520.db2.gz YBOZJGDXRYFMCP-UHFFFAOYSA-N 0 3 299.418 2.721 20 30 CFEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000343608932 381837717 /nfs/dbraw/zinc/83/77/17/381837717.db2.gz LXPFQHZLXVOYPL-NSHDSACASA-N 0 3 279.409 2.973 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000361550320 381842248 /nfs/dbraw/zinc/84/22/48/381842248.db2.gz DQMHHDIEEPMVGW-HUUCEWRRSA-N 0 3 293.455 2.753 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000343564263 381801272 /nfs/dbraw/zinc/80/12/72/381801272.db2.gz RHSSYRYMSGEEEZ-BFYDXBDKSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355781760 381804681 /nfs/dbraw/zinc/80/46/81/381804681.db2.gz KZOHLRSDGRXMDV-ILXRZTDVSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361559116 381843989 /nfs/dbraw/zinc/84/39/89/381843989.db2.gz MKPDMWZBIMSTRT-OAHLLOKOSA-N 0 3 273.376 2.567 20 30 CFEDHN C=CCOc1cccc(CN(CC)[C@H]2CCOC2)c1 ZINC000361239351 381814135 /nfs/dbraw/zinc/81/41/35/381814135.db2.gz YZPXLABSSUJHNG-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN CCN(C[C@@H](O)COC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299068808 381814304 /nfs/dbraw/zinc/81/43/04/381814304.db2.gz AXSBKTGSHGJLBP-WMLDXEAASA-N 0 3 290.407 2.727 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)c1cccc(C#N)c1 ZINC000186294411 381875972 /nfs/dbraw/zinc/87/59/72/381875972.db2.gz HCZHWXCEQYPUFZ-CQSZACIVSA-N 0 3 285.391 2.553 20 30 CFEDHN C[C@H]1[C@@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000416103372 381878549 /nfs/dbraw/zinc/87/85/49/381878549.db2.gz CDYMYWAQLZSHBN-WBOJAVRRSA-N 0 3 295.386 2.743 20 30 CFEDHN C=C(C)CN(C)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416189417 381880958 /nfs/dbraw/zinc/88/09/58/381880958.db2.gz KRUKPFYCLGYUJS-HNNXBMFYSA-N 0 3 260.381 2.714 20 30 CFEDHN C=CC[C@H](C)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416166642 381881444 /nfs/dbraw/zinc/88/14/44/381881444.db2.gz NGAWGEUIHPAUJD-ZFWWWQNUSA-N 0 3 260.381 2.760 20 30 CFEDHN C[C@@H](C#N)CN(C(=O)C[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000416179294 381882140 /nfs/dbraw/zinc/88/21/40/381882140.db2.gz MHBCDOMMNJYXBA-WMLDXEAASA-N 0 3 299.418 2.830 20 30 CFEDHN C=C(CC)CNC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416247831 381883630 /nfs/dbraw/zinc/88/36/30/381883630.db2.gz PSVLHLLQXIUHNV-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN C=CCN(CCOC)CCOc1c(C)cccc1C ZINC000362048851 381884697 /nfs/dbraw/zinc/88/46/97/381884697.db2.gz QZOYIYOALUYJKV-UHFFFAOYSA-N 0 3 263.381 2.817 20 30 CFEDHN C=CCSc1ccccc1C(=O)NCC1(N(C)C)CC1 ZINC000416306563 381885550 /nfs/dbraw/zinc/88/55/50/381885550.db2.gz GRUAQQRNTRYJJP-UHFFFAOYSA-N 0 3 290.432 2.789 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000343617960 381846949 /nfs/dbraw/zinc/84/69/49/381846949.db2.gz BFILCQDZDVQZEB-CJNGLKHVSA-N 0 3 297.402 2.824 20 30 CFEDHN C=C[C@@H](CC(=O)NCC1(N(C)C)CC1)c1ccccc1 ZINC000416307119 381885842 /nfs/dbraw/zinc/88/58/42/381885842.db2.gz JBUJGARTCLXKDF-AWEZNQCLSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNCC2)C1CC1 ZINC000415891465 381869728 /nfs/dbraw/zinc/86/97/28/381869728.db2.gz GJCATWVNXWEMBA-UHFFFAOYSA-N 0 3 271.364 2.515 20 30 CFEDHN CNCc1cccc(NC(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000415944288 381871088 /nfs/dbraw/zinc/87/10/88/381871088.db2.gz OSQROCWQSUOKPF-GFCCVEGCSA-N 0 3 286.379 2.562 20 30 CFEDHN CC(C)CN1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186284162 381873026 /nfs/dbraw/zinc/87/30/26/381873026.db2.gz ZXTAVNCXRBRTMU-OAHLLOKOSA-N 0 3 271.408 2.893 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000299250852 381873116 /nfs/dbraw/zinc/87/31/16/381873116.db2.gz RJOLNNWRCAOQJD-IJDCCNJMSA-N 0 3 299.418 2.664 20 30 CFEDHN C=CCOCCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000292916164 381901152 /nfs/dbraw/zinc/90/11/52/381901152.db2.gz XNRUMTVJAXBOQR-UHFFFAOYSA-N 0 3 285.391 2.945 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)O1 ZINC000186495276 381926197 /nfs/dbraw/zinc/92/61/97/381926197.db2.gz XWHFZNVCAQGNCY-OAHLLOKOSA-N 0 3 258.365 2.948 20 30 CFEDHN N#CCc1ccc(CN[C@@H](CCO)c2ccccc2)cc1 ZINC000343689096 381888918 /nfs/dbraw/zinc/88/89/18/381888918.db2.gz LGOUWOMBHMVEIB-SFHVURJKSA-N 0 3 280.371 2.966 20 30 CFEDHN C#CCN(C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372945219 381893173 /nfs/dbraw/zinc/89/31/73/381893173.db2.gz HIUFAAUCYMVKDN-UHFFFAOYSA-N 0 3 272.323 2.978 20 30 CFEDHN C=CCOCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000293050076 381966424 /nfs/dbraw/zinc/96/64/24/381966424.db2.gz KKMFFERFBHYJRU-UHFFFAOYSA-N 0 3 286.375 2.604 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN(C)C(C)C ZINC000299516527 381968879 /nfs/dbraw/zinc/96/88/79/381968879.db2.gz WEJAMAPXCPZFBV-UHFFFAOYSA-N 0 3 287.407 2.637 20 30 CFEDHN C=C(C)CN1CCC(c2noc(C(F)F)n2)CC1 ZINC000373287872 381969918 /nfs/dbraw/zinc/96/99/18/381969918.db2.gz WSMIYTKIEBCSIZ-UHFFFAOYSA-N 0 3 257.284 2.763 20 30 CFEDHN C[C@H]1CCC[C@@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC000356969140 381934254 /nfs/dbraw/zinc/93/42/54/381934254.db2.gz BQSVRFHDAFAPRL-JKSUJKDBSA-N 0 3 298.434 2.902 20 30 CFEDHN CC[C@H](C(=O)N[C@@H](C#N)c1ccccc1F)N(CC)CC ZINC000349485967 381943413 /nfs/dbraw/zinc/94/34/13/381943413.db2.gz WMVYYTKQVQRUQC-LSDHHAIUSA-N 0 3 291.370 2.627 20 30 CFEDHN CC(C#N)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000349535620 381955009 /nfs/dbraw/zinc/95/50/09/381955009.db2.gz LEZYNDSAIKRVFD-ZDUSSCGKSA-N 0 3 256.349 2.818 20 30 CFEDHN C[C@H](CN[C@H]1CCC[C@H]1C#N)CC1CCOCC1 ZINC000350353887 382012090 /nfs/dbraw/zinc/01/20/90/382012090.db2.gz JZDHLTMLGLNAIL-QEJZJMRPSA-N 0 3 250.386 2.721 20 30 CFEDHN C#CCN[C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000362285820 381991397 /nfs/dbraw/zinc/99/13/97/381991397.db2.gz NJGHMBGRUXLNEK-GFCCVEGCSA-N 0 3 257.312 2.604 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000343976947 382044786 /nfs/dbraw/zinc/04/47/86/382044786.db2.gz SLOVAIXXNCQRMQ-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCCCCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000351637330 382049425 /nfs/dbraw/zinc/04/94/25/382049425.db2.gz GLIWZXDAPGVUOT-GJZGRUSLSA-N 0 3 281.444 2.762 20 30 CFEDHN C[C@H]1CC[C@@H](N(CC#Cc2ccccc2)CCO)C1 ZINC000351630055 382049962 /nfs/dbraw/zinc/04/99/62/382049962.db2.gz QRFAWOPLMMBHMV-DOTOQJQBSA-N 0 3 257.377 2.521 20 30 CFEDHN CC#CCN[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000374773236 382055750 /nfs/dbraw/zinc/05/57/50/382055750.db2.gz BUZALYVNJUNHII-ROUUACIJSA-N 0 3 284.403 2.586 20 30 CFEDHN C=CCC[C@H](O)CN1CC=C(c2cncc(F)c2)CC1 ZINC000374799770 382055908 /nfs/dbraw/zinc/05/59/08/382055908.db2.gz NPYYFJWEOJBWLJ-INIZCTEOSA-N 0 3 276.355 2.637 20 30 CFEDHN C#CCN[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374829752 382057963 /nfs/dbraw/zinc/05/79/63/382057963.db2.gz PDOSSLLODVWEBY-HOTGVXAUSA-N 0 3 278.346 2.711 20 30 CFEDHN C=C(C)CCN[C@@H](c1nnc2ccccn21)C(C)C ZINC000351731293 382059364 /nfs/dbraw/zinc/05/93/64/382059364.db2.gz UZOFQGAARFYDDJ-CQSZACIVSA-N 0 3 258.369 2.982 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1nccc(C)c1C#N ZINC000343934901 382028497 /nfs/dbraw/zinc/02/84/97/382028497.db2.gz VXNZOHYMBHZYGC-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@@H]1O ZINC000186843394 382028722 /nfs/dbraw/zinc/02/87/22/382028722.db2.gz GNNZQUVRPDMQAI-BBRMVZONSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2OC(C)(C)C1 ZINC000344065116 382103219 /nfs/dbraw/zinc/10/32/19/382103219.db2.gz GADZJEOZZBHSAP-OAHLLOKOSA-N 0 3 275.392 2.987 20 30 CFEDHN C#CCN1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000375798983 382103788 /nfs/dbraw/zinc/10/37/88/382103788.db2.gz YKKKVJRQCUGIHQ-KRWDZBQOSA-N 0 3 288.435 2.513 20 30 CFEDHN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000376030547 382117088 /nfs/dbraw/zinc/11/70/88/382117088.db2.gz SLAHTXGBBFOLQM-NVXWUHKLSA-N 0 3 294.439 2.976 20 30 CFEDHN C#CCCOc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000376022035 382117880 /nfs/dbraw/zinc/11/78/80/382117880.db2.gz QWWJBIBUGOWQSI-MRXNPFEDSA-N 0 3 285.387 2.557 20 30 CFEDHN CN(C)CCOc1ccc(CNc2cccc(C#N)n2)cc1 ZINC000301253950 382122831 /nfs/dbraw/zinc/12/28/31/382122831.db2.gz CNPDDRXTEISLOY-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN N#Cc1c(CN2CCC[C@@H]3COCC[C@@H]32)cn2ccccc12 ZINC000362455755 382079255 /nfs/dbraw/zinc/07/92/55/382079255.db2.gz TXHATMUMPOLLMZ-PBHICJAKSA-N 0 3 295.386 2.812 20 30 CFEDHN C=C(Cl)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000375426417 382087116 /nfs/dbraw/zinc/08/71/16/382087116.db2.gz PCPYJZWDEBJCJX-CYBMUJFWSA-N 0 3 270.804 2.652 20 30 CFEDHN CCCCCCCCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000375500094 382089638 /nfs/dbraw/zinc/08/96/38/382089638.db2.gz XGWIAKIFLHBIAH-MRXNPFEDSA-N 0 3 298.471 2.652 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000375767801 382101674 /nfs/dbraw/zinc/10/16/74/382101674.db2.gz JEXHBVYUOCAIJN-WMLDXEAASA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCOCCCN(C)Cc1ccccc1N(C)C ZINC000344112229 382135254 /nfs/dbraw/zinc/13/52/54/382135254.db2.gz KZSPINNAMMTRPT-UHFFFAOYSA-N 0 3 262.397 2.777 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H]2OCCc3ccccc32)C1 ZINC000376478391 382137366 /nfs/dbraw/zinc/13/73/66/382137366.db2.gz OQZNMMZWHYEYLI-UNEWFSDZSA-N 0 3 270.376 2.972 20 30 CFEDHN C=CCOCCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000293538221 382164599 /nfs/dbraw/zinc/16/45/99/382164599.db2.gz QCQCHFYBTUGUIF-KRWDZBQOSA-N 0 3 275.392 2.635 20 30 CFEDHN CC(C)(C)[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000344209813 382200521 /nfs/dbraw/zinc/20/05/21/382200521.db2.gz LOFOGHCHXWORAQ-INIZCTEOSA-N 0 3 299.418 2.542 20 30 CFEDHN CC[C@]1(C)CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000344214914 382204291 /nfs/dbraw/zinc/20/42/91/382204291.db2.gz HBPUVYRIMGPPKB-IMJJTQAJSA-N 0 3 279.428 2.551 20 30 CFEDHN CC[C@]1(C)CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000344214913 382204365 /nfs/dbraw/zinc/20/43/65/382204365.db2.gz HBPUVYRIMGPPKB-FVQBIDKESA-N 0 3 279.428 2.551 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362703242 382206679 /nfs/dbraw/zinc/20/66/79/382206679.db2.gz IZHRCQOGORVPSO-OFQRWUPVSA-N 0 3 287.407 2.696 20 30 CFEDHN C[C@H]1CCCCN1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302227063 382221213 /nfs/dbraw/zinc/22/12/13/382221213.db2.gz WPBBMDWCMITHJI-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN CO[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000293605657 382193755 /nfs/dbraw/zinc/19/37/55/382193755.db2.gz DRTVTNLRZOBHPP-BMIGLBTASA-N 0 3 262.328 2.773 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345113674 382285802 /nfs/dbraw/zinc/28/58/02/382285802.db2.gz PWKCSZWIAVYHEN-UKRRQHHQSA-N 0 3 285.391 2.678 20 30 CFEDHN C=CCOCCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000293809213 382288161 /nfs/dbraw/zinc/28/81/61/382288161.db2.gz OAQWVCDCTXQHPB-QGZVFWFLSA-N 0 3 275.392 2.561 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(n2cncn2)CC1 ZINC000187663758 382239528 /nfs/dbraw/zinc/23/95/28/382239528.db2.gz BQMATGUGUSCFBG-ZDUSSCGKSA-N 0 3 281.363 2.548 20 30 CFEDHN CCCNC(=O)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187666755 382240881 /nfs/dbraw/zinc/24/08/81/382240881.db2.gz SFTVMKLEWIFNQZ-WMLDXEAASA-N 0 3 299.418 2.857 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000344271738 382241962 /nfs/dbraw/zinc/24/19/62/382241962.db2.gz AHWWOUSDCNLWBP-WKPIXPDZSA-N 0 3 276.355 2.846 20 30 CFEDHN CC[C@H](CN1CCC(Oc2ccc(C#N)cc2)CC1)OC ZINC000419223429 382250013 /nfs/dbraw/zinc/25/00/13/382250013.db2.gz YGQCEUJYEKZGJK-OAHLLOKOSA-N 0 3 288.391 2.826 20 30 CFEDHN CC[C@@H]1CCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419241838 382257136 /nfs/dbraw/zinc/25/71/36/382257136.db2.gz SCBAMTSWLWYUSB-VNQPRFMTSA-N 0 3 285.391 2.501 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2c2cccnc2)C1 ZINC000344302598 382258879 /nfs/dbraw/zinc/25/88/79/382258879.db2.gz SQZZPJLOEVKVGD-BVUBDWEXSA-N 0 3 271.364 2.584 20 30 CFEDHN N#CCCCNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000344299401 382258912 /nfs/dbraw/zinc/25/89/12/382258912.db2.gz HSMQRQVMSJEEFD-INIZCTEOSA-N 0 3 274.364 2.638 20 30 CFEDHN CN1CC[C@@H]2CCN(c3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000364311116 382304421 /nfs/dbraw/zinc/30/44/21/382304421.db2.gz VOWGLMAFYDNVDJ-ABAIWWIYSA-N 0 3 275.783 2.742 20 30 CFEDHN C=CCOCCN(C)[C@H]1CCCc2nc(C)sc21 ZINC000293934454 382344249 /nfs/dbraw/zinc/34/42/49/382344249.db2.gz ZBYMKMQCJWGVHO-ZDUSSCGKSA-N 0 3 266.410 2.963 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419391731 382313723 /nfs/dbraw/zinc/31/37/23/382313723.db2.gz KFOWIVKIFKKJEP-KBUPBQIOSA-N 0 3 291.439 2.694 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](CC(C)C)C1 ZINC000345859570 382318365 /nfs/dbraw/zinc/31/83/65/382318365.db2.gz FICRDZYRABTNGI-MRXNPFEDSA-N 0 3 278.440 2.945 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCC2CC2)CC1 ZINC000345937175 382324133 /nfs/dbraw/zinc/32/41/33/382324133.db2.gz DGIVGJSBVWLBAV-AWEZNQCLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCC2CC2)CC1 ZINC000345937176 382324288 /nfs/dbraw/zinc/32/42/88/382324288.db2.gz DGIVGJSBVWLBAV-CQSZACIVSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000346065198 382330840 /nfs/dbraw/zinc/33/08/40/382330840.db2.gz YJSCAVUSGDLNRR-CVEARBPZSA-N 0 3 289.423 2.943 20 30 CFEDHN CC(C)C[C@]1(CO)CCCN1Cc1ccc(C#N)o1 ZINC000188037532 382330902 /nfs/dbraw/zinc/33/09/02/382330902.db2.gz AKKUJVBXZSWYRM-HNNXBMFYSA-N 0 3 262.353 2.524 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302829178 382331193 /nfs/dbraw/zinc/33/11/93/382331193.db2.gz JMDGXAMZVWPLRV-ZIAGYGMSSA-N 0 3 282.391 2.962 20 30 CFEDHN C=CCOc1ccccc1CNCCc1nnc(C)s1 ZINC000352455519 382341350 /nfs/dbraw/zinc/34/13/50/382341350.db2.gz YZYYWRPGLHVNLL-UHFFFAOYSA-N 0 3 289.404 2.744 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)Cc2cc(C#N)ccc2F)C1 ZINC000187907314 382293074 /nfs/dbraw/zinc/29/30/74/382293074.db2.gz ORPGSAPNJXHTSA-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)Cc2cc(C#N)ccc2F)C1 ZINC000187907340 382293753 /nfs/dbraw/zinc/29/37/53/382293753.db2.gz ORPGSAPNJXHTSA-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCN(CCCC(=O)OC)Cc1cccs1 ZINC000345399403 382301633 /nfs/dbraw/zinc/30/16/33/382301633.db2.gz GKNTXSCHNZNIOO-UHFFFAOYSA-N 0 3 253.367 2.689 20 30 CFEDHN C=C[C@H](CO)NC/C(C)=C\c1ccccc1OC(F)F ZINC000352473446 382351256 /nfs/dbraw/zinc/35/12/56/382351256.db2.gz UVERTLGQCFLWIP-BIRHUZIMSA-N 0 3 283.318 2.828 20 30 CFEDHN C=CCOc1ccc(CNCCOC(C)C)cc1OC ZINC000680484218 542330649 /nfs/dbraw/zinc/33/06/49/542330649.db2.gz FNYGKTINQIKEBI-UHFFFAOYSA-N 0 3 279.380 2.775 20 30 CFEDHN CC(C)[C@@]1(CO)CCCN(Cc2ccc(C#N)s2)C1 ZINC000294018814 382380073 /nfs/dbraw/zinc/38/00/73/382380073.db2.gz NLLDVBIMNZWCBI-HNNXBMFYSA-N 0 3 278.421 2.850 20 30 CFEDHN N#CCCCOc1cccc(CN2CCC[C@@H](CO)C2)c1 ZINC000305226733 382435993 /nfs/dbraw/zinc/43/59/93/382435993.db2.gz WFCPNHCNSZLTNC-MRXNPFEDSA-N 0 3 288.391 2.573 20 30 CFEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000352698697 382448331 /nfs/dbraw/zinc/44/83/31/382448331.db2.gz WQYYDXXMHSRPMG-IXDOHACOSA-N 0 3 282.387 2.795 20 30 CFEDHN N#CCCCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000305366635 382440226 /nfs/dbraw/zinc/44/02/26/382440226.db2.gz VWCLZXLVJZNWFK-INIZCTEOSA-N 0 3 258.365 2.563 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000420644535 382442201 /nfs/dbraw/zinc/44/22/01/382442201.db2.gz ZELJCIXBNGXLKB-JTQLQIEISA-N 0 3 298.312 2.502 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1ccc(C#N)s1)OC ZINC000294097085 382413852 /nfs/dbraw/zinc/41/38/52/382413852.db2.gz BPNBBCIWXGCZTE-MFKMUULPSA-N 0 3 252.383 2.770 20 30 CFEDHN N#Cc1cccc(OCCN2CC3CCC2CC3)c1 ZINC000378379442 382450942 /nfs/dbraw/zinc/45/09/42/382450942.db2.gz APABXNXBGQTWLI-UHFFFAOYSA-N 0 3 256.349 2.811 20 30 CFEDHN C=CCC1(C(=O)NCC2(SC)CCN(C)CC2)CCC1 ZINC000358103905 382454503 /nfs/dbraw/zinc/45/45/03/382454503.db2.gz DUYQZIYARWYNFB-UHFFFAOYSA-N 0 3 296.480 2.676 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000358146157 382468906 /nfs/dbraw/zinc/46/89/06/382468906.db2.gz GXJAJEPEIZSZBP-SCDSUCTJSA-N 0 3 260.312 2.738 20 30 CFEDHN C=C(C)CN(CCCOC(C)C)Cc1ccc(CO)o1 ZINC000352819169 382476540 /nfs/dbraw/zinc/47/65/40/382476540.db2.gz VUBDBBRHBLPZDU-UHFFFAOYSA-N 0 3 281.396 2.965 20 30 CFEDHN CC[C@@H](C)[C@@H](CNCc1ccc(OC)c(C#N)c1)OC ZINC000294273191 382489039 /nfs/dbraw/zinc/48/90/39/382489039.db2.gz RYJBBALDIUOZGA-MLGOLLRUSA-N 0 3 276.380 2.718 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC000353069217 382490406 /nfs/dbraw/zinc/49/04/06/382490406.db2.gz SGLVTNBILBGZAD-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN C=CCN(CCOCC(F)F)Cc1ccc(OC)cc1 ZINC000188850653 382490960 /nfs/dbraw/zinc/49/09/60/382490960.db2.gz NFHDYYHUISEHEN-UHFFFAOYSA-N 0 3 285.334 2.965 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCCN2C2CC2)cc1F ZINC000421401721 382520206 /nfs/dbraw/zinc/52/02/06/382520206.db2.gz VUTFXRWPLGRKAI-INIZCTEOSA-N 0 3 287.382 2.804 20 30 CFEDHN CC1=CCN(CCN[C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000358239133 382520858 /nfs/dbraw/zinc/52/08/58/382520858.db2.gz OYCCYLPZNHCXGV-CQSZACIVSA-N 0 3 287.382 3.000 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(Br)c1F ZINC000294665635 382522187 /nfs/dbraw/zinc/52/21/87/382522187.db2.gz AAOKMYCFIIMDSJ-JTQLQIEISA-N 0 3 288.160 2.615 20 30 CFEDHN C=CCN(C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000189019970 382527460 /nfs/dbraw/zinc/52/74/60/382527460.db2.gz AXVKSJHFSYRTFH-UHFFFAOYSA-N 0 3 259.305 2.837 20 30 CFEDHN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1CCCC#N ZINC000420924717 382498906 /nfs/dbraw/zinc/49/89/06/382498906.db2.gz KILZGURPGMESEJ-QWHCGFSZSA-N 0 3 266.385 2.732 20 30 CFEDHN CC#CCCN1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420922883 382499253 /nfs/dbraw/zinc/49/92/53/382499253.db2.gz GPTIGNZOSOQVKO-UONOGXRCSA-N 0 3 265.397 2.842 20 30 CFEDHN C[C@@H]1CC[C@H](O)CN1Cc1cccc(OCCCC#N)c1 ZINC000421383687 382514788 /nfs/dbraw/zinc/51/47/88/382514788.db2.gz ZZDJVHWDJGHIQA-ZBFHGGJFSA-N 0 3 288.391 2.714 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1nc2ccccc2n1C ZINC000320667560 382538464 /nfs/dbraw/zinc/53/84/64/382538464.db2.gz RRZVNLOJVXJURW-CHWSQXEVSA-N 0 3 273.380 2.551 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000294889703 382540424 /nfs/dbraw/zinc/54/04/24/382540424.db2.gz WJYWVRVHSAFAPI-AWEZNQCLSA-N 0 3 286.400 2.967 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2[C@H](C)CCC[C@H]2C)n1 ZINC000346852841 382545664 /nfs/dbraw/zinc/54/56/64/382545664.db2.gz QSYBPMHJZJZWHU-ZIAGYGMSSA-N 0 3 272.396 2.937 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000294962368 382553949 /nfs/dbraw/zinc/55/39/49/382553949.db2.gz JIXLYNMRBNCOAX-HNNXBMFYSA-N 0 3 281.403 2.841 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H]2Cn2nc(C)nc2C)cc1 ZINC000367298521 382564626 /nfs/dbraw/zinc/56/46/26/382564626.db2.gz BXJBXFXDOMZJSI-SFHVURJKSA-N 0 3 294.402 2.541 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(c2cc(C#N)ccn2)C1 ZINC000367465657 382572357 /nfs/dbraw/zinc/57/23/57/382572357.db2.gz MLQZDUKOMOEIDP-KRWDZBQOSA-N 0 3 292.386 2.664 20 30 CFEDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000385644063 382574074 /nfs/dbraw/zinc/57/40/74/382574074.db2.gz KHTMQZGAIVQKFI-HIFRSBDPSA-N 0 3 278.783 2.804 20 30 CFEDHN CC(C)[C@H](C(=O)N(C)CC(C)(C)C#N)N1CCCCC1 ZINC000353220960 382530299 /nfs/dbraw/zinc/53/02/99/382530299.db2.gz WKUOZNQLVLSCLR-CQSZACIVSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000189041494 382531005 /nfs/dbraw/zinc/53/10/05/382531005.db2.gz QQGZPESQIAYVCM-UHFFFAOYSA-N 0 3 252.745 2.786 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H](CO)C1CCCCC1 ZINC000386348137 382587491 /nfs/dbraw/zinc/58/74/91/382587491.db2.gz MNIYEURICPCVEZ-INIZCTEOSA-N 0 3 288.391 2.598 20 30 CFEDHN C#CCCCN(C)C[C@@H](O)c1ccccc1Br ZINC000295216083 382587487 /nfs/dbraw/zinc/58/74/87/382587487.db2.gz ALJYYCQVLFMEJA-CQSZACIVSA-N 0 3 296.208 2.828 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000295243621 382597237 /nfs/dbraw/zinc/59/72/37/382597237.db2.gz SYTIUXOTGFKCAN-KCQAQPDRSA-N 0 3 261.365 2.907 20 30 CFEDHN C=CCC[C@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000189494064 382616330 /nfs/dbraw/zinc/61/63/30/382616330.db2.gz HRJZLMRWWYAQEI-IRXDYDNUSA-N 0 3 286.419 2.947 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000367612629 382578294 /nfs/dbraw/zinc/57/82/94/382578294.db2.gz DPVZNCJFCTZUFW-WMZOPIPTSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@@H]1CSC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000367690351 382582996 /nfs/dbraw/zinc/58/29/96/382582996.db2.gz RSWKMGIWQSXOBD-SMOPSLFNSA-N 0 3 272.417 2.951 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000190981782 382687344 /nfs/dbraw/zinc/68/73/44/382687344.db2.gz ZEKHAFKYXCISLK-DZKIICNBSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)C#N ZINC000398168644 382635341 /nfs/dbraw/zinc/63/53/41/382635341.db2.gz NNNXBYBBGOGFDH-GOEBONIOSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](COCc1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191227807 382696340 /nfs/dbraw/zinc/69/63/40/382696340.db2.gz LWPXQMRKVCPJBY-CQSZACIVSA-N 0 3 283.375 2.592 20 30 CFEDHN C[C@H](CNCc1cc(C#N)n(C)c1)Oc1ccccc1F ZINC000191222571 382696415 /nfs/dbraw/zinc/69/64/15/382696415.db2.gz YYYFJKYSSSCLTR-GFCCVEGCSA-N 0 3 287.338 2.593 20 30 CFEDHN CCCO[C@H]1CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191348455 382698816 /nfs/dbraw/zinc/69/88/16/382698816.db2.gz JTTMAOWNABCJKE-INIZCTEOSA-N 0 3 275.396 2.678 20 30 CFEDHN Cn1cc(CN2CCC[C@H](Nc3ccccc3)C2)cc1C#N ZINC000191408482 382699951 /nfs/dbraw/zinc/69/99/51/382699951.db2.gz CLBOSXBSFJXLLK-KRWDZBQOSA-N 0 3 294.402 2.973 20 30 CFEDHN CO[C@]1(C)C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434659 382700341 /nfs/dbraw/zinc/70/03/41/382700341.db2.gz POGHMMLOVIDMAI-GDBMZVCRSA-N 0 3 275.396 2.532 20 30 CFEDHN CCCCCCCCCN1CCc2nn(C)c(=O)cc2C1 ZINC000192049535 382704449 /nfs/dbraw/zinc/70/44/49/382704449.db2.gz CCQWMTGZBRGLKG-UHFFFAOYSA-N 0 3 291.439 2.889 20 30 CFEDHN C[C@@H](NC[C@H](O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000192959357 382713941 /nfs/dbraw/zinc/71/39/41/382713941.db2.gz JLIGHRZHADIZSL-KDOFPFPSSA-N 0 3 296.370 2.973 20 30 CFEDHN COc1cnccc1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000193328975 382718766 /nfs/dbraw/zinc/71/87/66/382718766.db2.gz JNLNBTMKPDNPEB-AVGNSLFASA-N 0 3 259.353 2.823 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CC[C@H](C(=O)OC)C2)c1 ZINC000193505948 382720504 /nfs/dbraw/zinc/72/05/04/382720504.db2.gz DUCFYDGGMVWUFF-LSDHHAIUSA-N 0 3 289.375 2.683 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2Cc2ccc(C)cc2)C1=O ZINC000337133467 382765494 /nfs/dbraw/zinc/76/54/94/382765494.db2.gz AXLXEEZFDLQWRO-MSOLQXFVSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)[C@@H](C)C2)C1=O ZINC000337188579 382773538 /nfs/dbraw/zinc/77/35/38/382773538.db2.gz QJUPKAKWRZTQAD-JQHSSLGASA-N 0 3 298.430 2.899 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](C)[C@H](C)O1 ZINC000337200464 382775419 /nfs/dbraw/zinc/77/54/19/382775419.db2.gz FDLYMSRGPVZVMY-KFWWJZLASA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCc3ccccc3C2)C1=O ZINC000337224933 382780390 /nfs/dbraw/zinc/78/03/90/382780390.db2.gz NWARYVNRXVGNHQ-YJBOKZPZSA-N 0 3 298.430 2.510 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCC(C)(C)CC)C1=O ZINC000337227259 382780746 /nfs/dbraw/zinc/78/07/46/382780746.db2.gz PXHOPXCWMFPMHL-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@H]2CCC[C@H](C)C2)C1=O ZINC000337229361 382781184 /nfs/dbraw/zinc/78/11/84/382781184.db2.gz RTMHNYHXXGQMDV-XHSDSOJGSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccc(C)cc3C)C2)C1=O ZINC000337233027 382781693 /nfs/dbraw/zinc/78/16/93/382781693.db2.gz KBJMMTVONFYKIK-WMZOPIPTSA-N 0 3 298.430 2.880 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2OC(F)F)c(F)c1 ZINC000337270927 382790789 /nfs/dbraw/zinc/79/07/89/382790789.db2.gz BILNPDFNSWTCAO-STQMWFEESA-N 0 3 284.281 2.947 20 30 CFEDHN C=CCCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000280060796 194687013 /nfs/dbraw/zinc/68/70/13/194687013.db2.gz LIMUNUPSBNFHFA-CQSZACIVSA-N 0 3 281.421 2.713 20 30 CFEDHN CCOc1cc(Cl)ccc1CNC(=O)C(C)C#N ZINC000337319352 382800564 /nfs/dbraw/zinc/80/05/64/382800564.db2.gz ADHXFEDNEMISBY-VIFPVBQESA-N 0 3 266.728 2.515 20 30 CFEDHN Cc1nc(CCNCc2cc(C#N)cs2)cs1 ZINC000224158900 382809489 /nfs/dbraw/zinc/80/94/89/382809489.db2.gz YGYAKBVHPYZJJI-UHFFFAOYSA-N 0 3 263.391 2.717 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3ccccc3)C2)nc1 ZINC000576450026 382822860 /nfs/dbraw/zinc/82/28/60/382822860.db2.gz BNILCBRBWNBAAT-INIZCTEOSA-N 0 3 263.344 2.943 20 30 CFEDHN N#Cc1cc2c(nc1NC[C@@H]1CCCCN1C1CC1)CCC2 ZINC000577016581 382844987 /nfs/dbraw/zinc/84/49/87/382844987.db2.gz XXIHQUHDMDLXAR-INIZCTEOSA-N 0 3 296.418 2.871 20 30 CFEDHN C=CCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000338015972 382903557 /nfs/dbraw/zinc/90/35/57/382903557.db2.gz HIRWGWBDYJWZFN-UHFFFAOYSA-N 0 3 258.365 2.587 20 30 CFEDHN Clc1ccccc1C#CCN[C@H]1CCO[C@@H]1C1CC1 ZINC000494447587 382912338 /nfs/dbraw/zinc/91/23/38/382912338.db2.gz SBKDKOPEEKCOKJ-JKSUJKDBSA-N 0 3 275.779 2.849 20 30 CFEDHN C#CCCN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000493832050 382905189 /nfs/dbraw/zinc/90/51/89/382905189.db2.gz PKBVZVWESDUCPW-CQSZACIVSA-N 0 3 280.412 2.589 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000441356698 382908965 /nfs/dbraw/zinc/90/89/65/382908965.db2.gz LNOASUADWBXLIK-DLBZAZTESA-N 0 3 286.419 2.865 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C)(CC)CC1 ZINC000337687959 382855732 /nfs/dbraw/zinc/85/57/32/382855732.db2.gz LXZDZWCIAUPRQX-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN C#CCCCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000494094038 382909096 /nfs/dbraw/zinc/90/90/96/382909096.db2.gz GQOGAVGQQNZGPO-AWEZNQCLSA-N 0 3 280.412 2.731 20 30 CFEDHN COC(=O)CC1(NCc2ccccc2C#N)CCCCC1 ZINC000533068853 382879390 /nfs/dbraw/zinc/87/93/90/382879390.db2.gz OOTXYTAFBGRXLO-UHFFFAOYSA-N 0 3 286.375 2.914 20 30 CFEDHN Cn1cc(CCNC[C@H](C#N)CCC#N)c2ccc(F)cc21 ZINC000577998496 382880827 /nfs/dbraw/zinc/88/08/27/382880827.db2.gz MDMDZEMBMAIZSD-ZDUSSCGKSA-N 0 3 298.365 2.893 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCc2ccc(C#N)s2)cc1 ZINC000421598687 382883369 /nfs/dbraw/zinc/88/33/69/382883369.db2.gz BFIBIJKYETUAIS-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000440803975 382884179 /nfs/dbraw/zinc/88/41/79/382884179.db2.gz BGAJIOZVVVYUMY-IUCAKERBSA-N 0 3 286.253 2.922 20 30 CFEDHN COc1cc(CNC[C@@](C)(O)CCC(C)C)ccc1C#N ZINC000440817878 382885620 /nfs/dbraw/zinc/88/56/20/382885620.db2.gz DZNQLVMRWVHJGB-KRWDZBQOSA-N 0 3 290.407 2.844 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000494876637 382937577 /nfs/dbraw/zinc/93/75/77/382937577.db2.gz XQVJKGCMBSAWBA-OWCLPIDISA-N 0 3 293.455 2.999 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000442635079 382940252 /nfs/dbraw/zinc/94/02/52/382940252.db2.gz OSKCPOGLHMXKAV-RWMBFGLXSA-N 0 3 263.410 2.633 20 30 CFEDHN C=CC[C@H](C(=O)NCCN1CCCC1)c1ccccc1 ZINC000494919762 382941203 /nfs/dbraw/zinc/94/12/03/382941203.db2.gz CSPDOAXNAIVIAC-INIZCTEOSA-N 0 3 272.392 2.558 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@]1(C)CCCO1 ZINC000421848721 382945348 /nfs/dbraw/zinc/94/53/48/382945348.db2.gz AMNZHMCIKFQBLK-MFKMUULPSA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@@]1(C)CCCO1 ZINC000421848719 382945816 /nfs/dbraw/zinc/94/58/16/382945816.db2.gz AMNZHMCIKFQBLK-GXFFZTMASA-N 0 3 250.367 2.667 20 30 CFEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(N2CCOCC2)c1 ZINC000442761821 382952128 /nfs/dbraw/zinc/95/21/28/382952128.db2.gz CXCXIESBBQBDNQ-NVXWUHKLSA-N 0 3 299.418 2.614 20 30 CFEDHN CCSc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccn1 ZINC000442838538 382959819 /nfs/dbraw/zinc/95/98/19/382959819.db2.gz TUCPVBJFUPNCTP-WCQYABFASA-N 0 3 261.394 2.975 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000442854689 382961094 /nfs/dbraw/zinc/96/10/94/382961094.db2.gz LGECMKFTXQVHHM-MNOVXSKESA-N 0 3 266.291 2.625 20 30 CFEDHN C=C[C@@H](CC(=O)NCCN1CC[C@@H](C)C1)c1ccccc1 ZINC000533928566 382912830 /nfs/dbraw/zinc/91/28/30/382912830.db2.gz SMIMYNWDTANFRO-CVEARBPZSA-N 0 3 286.419 2.804 20 30 CFEDHN C=C(CC)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000494485519 382913647 /nfs/dbraw/zinc/91/36/47/382913647.db2.gz LDTZGNCIGGDLNP-GFCCVEGCSA-N 0 3 254.374 2.552 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000494593005 382914473 /nfs/dbraw/zinc/91/44/73/382914473.db2.gz VJRFVLUMFVZIFY-WFASDCNBSA-N 0 3 283.799 2.802 20 30 CFEDHN CC(C)(C#N)CC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000578366239 382914962 /nfs/dbraw/zinc/91/49/62/382914962.db2.gz SGPBULBRZUHATK-SFHVURJKSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccccc1SC ZINC000442861499 382962516 /nfs/dbraw/zinc/96/25/16/382962516.db2.gz MYXVIEIHAXNBAJ-RYUDHWBXSA-N 0 3 251.395 2.996 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000540159909 382962698 /nfs/dbraw/zinc/96/26/98/382962698.db2.gz ASCXQHRBMQFPMH-ZDUSSCGKSA-N 0 3 288.391 2.815 20 30 CFEDHN CN(CCC(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494710920 382923136 /nfs/dbraw/zinc/92/31/36/382923136.db2.gz MHUZHGYZXPCTLK-CYBMUJFWSA-N 0 3 295.427 2.867 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000338119318 382924707 /nfs/dbraw/zinc/92/47/07/382924707.db2.gz LFRTXPGZEGLSBN-INIZCTEOSA-N 0 3 297.402 2.567 20 30 CFEDHN COc1ccc([C@@H]2CCN(Cc3ccc(C#N)cn3)C2)cc1 ZINC000578518677 382927840 /nfs/dbraw/zinc/92/78/40/382927840.db2.gz DGJQTDNOCXJZDX-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCCN(C(C)C)CC1 ZINC000540566131 382963182 /nfs/dbraw/zinc/96/31/82/382963182.db2.gz FMPNKFLNIADZBP-HNNXBMFYSA-N 0 3 281.444 2.857 20 30 CFEDHN COCCOc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000543779475 382973484 /nfs/dbraw/zinc/97/34/84/382973484.db2.gz HANWHRQWDLLYDW-UHFFFAOYSA-N 0 3 288.391 2.837 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)Cc2cccc(C#N)c2F)C1 ZINC000495228186 382973991 /nfs/dbraw/zinc/97/39/91/382973991.db2.gz DAFHUWHAPHGEHT-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@H](COC(C)C)C1 ZINC000545326848 382977799 /nfs/dbraw/zinc/97/77/99/382977799.db2.gz CHCMWNQGPVYFRV-LSDHHAIUSA-N 0 3 255.402 2.857 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOCC2(CC2)C1 ZINC000444690313 382977942 /nfs/dbraw/zinc/97/79/42/382977942.db2.gz RYHGPOHCMMEJMI-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N(CC)CCC#N)CCCC1(C)C ZINC000444780802 382981472 /nfs/dbraw/zinc/98/14/72/382981472.db2.gz FXTKWXWFXQKSNX-OAHLLOKOSA-N 0 3 291.439 2.815 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)c(OCC2CC2)c1 ZINC000446529788 382989885 /nfs/dbraw/zinc/98/98/85/382989885.db2.gz FQNRNCIBVQIUKH-LBPRGKRZSA-N 0 3 272.348 2.560 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC000495729295 383018798 /nfs/dbraw/zinc/01/87/98/383018798.db2.gz OBCALACWLQUBDD-FQUUOJAGSA-N 0 3 293.411 2.666 20 30 CFEDHN C=CCCCCN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000579315718 383002790 /nfs/dbraw/zinc/00/27/90/383002790.db2.gz KAKXNZQZPXPQPH-UHFFFAOYSA-N 0 3 274.412 2.572 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000447815044 383011423 /nfs/dbraw/zinc/01/14/23/383011423.db2.gz BFDZSUQXNFFNID-MRXNPFEDSA-N 0 3 298.434 2.974 20 30 CFEDHN COc1ccsc1CN1CCC(CC#N)CC1 ZINC000541919029 382967029 /nfs/dbraw/zinc/96/70/29/382967029.db2.gz FIFHITQPTHJGBW-UHFFFAOYSA-N 0 3 250.367 2.882 20 30 CFEDHN COCCOc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000541922578 382967119 /nfs/dbraw/zinc/96/71/19/382967119.db2.gz HTGJAUZMLLXATD-UHFFFAOYSA-N 0 3 288.391 2.837 20 30 CFEDHN CCN1CCCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443508176 382967750 /nfs/dbraw/zinc/96/77/50/382967750.db2.gz JXCNNTCOXOGAFA-UHFFFAOYSA-N 0 3 298.312 2.504 20 30 CFEDHN C=CCCC[C@H](C)N[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000542209837 382967895 /nfs/dbraw/zinc/96/78/95/382967895.db2.gz JBHQCEPSQYTGQH-WFASDCNBSA-N 0 3 278.371 2.557 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000542323424 382968433 /nfs/dbraw/zinc/96/84/33/382968433.db2.gz VOAABDCXMDYIRR-SFHVURJKSA-N 0 3 298.430 2.985 20 30 CFEDHN N#Cc1ccc(NCCN2CC=CCC2)cc1Cl ZINC000338712029 383029461 /nfs/dbraw/zinc/02/94/61/383029461.db2.gz LAFFVRASHTVXTG-UHFFFAOYSA-N 0 3 261.756 2.885 20 30 CFEDHN CC#CCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495853845 383034945 /nfs/dbraw/zinc/03/49/45/383034945.db2.gz BUSAWPOAMCMLLI-CYBMUJFWSA-N 0 3 272.348 2.659 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000245981425 383055142 /nfs/dbraw/zinc/05/51/42/383055142.db2.gz YNDZHASXJVLRJQ-YOEHRIQHSA-N 0 3 286.375 2.568 20 30 CFEDHN COCCN(Cc1ccc(C#N)s1)[C@@H]1CCCSC1 ZINC000448359748 383057935 /nfs/dbraw/zinc/05/79/35/383057935.db2.gz OWWOXLCZRJORTQ-GFCCVEGCSA-N 0 3 296.461 2.964 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1C[C@H]1C1CC1)C(C)C ZINC000246509635 383079796 /nfs/dbraw/zinc/07/97/96/383079796.db2.gz QOEBWMLRPZPVCL-YESZJQIVSA-N 0 3 290.451 2.847 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000448541114 383064059 /nfs/dbraw/zinc/06/40/59/383064059.db2.gz DLHSQZMGNPSRDQ-LBPRGKRZSA-N 0 3 276.299 2.756 20 30 CFEDHN OC[C@H](NCC#Cc1ccccc1Cl)C1CCCC1 ZINC000579531675 383026547 /nfs/dbraw/zinc/02/65/47/383026547.db2.gz FGGNUTCDXKMHSG-INIZCTEOSA-N 0 3 277.795 2.832 20 30 CFEDHN CC#CCCN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495788522 383026603 /nfs/dbraw/zinc/02/66/03/383026603.db2.gz SEFHSMPEXJIKSL-INIZCTEOSA-N 0 3 280.412 2.637 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000553907933 383120065 /nfs/dbraw/zinc/12/00/65/383120065.db2.gz RWDLXARLZSZXFP-CQSZACIVSA-N 0 3 291.395 2.822 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000246977912 383127362 /nfs/dbraw/zinc/12/73/62/383127362.db2.gz SELHGGJCAPIKQT-IIAWOOMASA-N 0 3 279.428 2.551 20 30 CFEDHN N#CC[C@@H]1CCCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000597905100 383128730 /nfs/dbraw/zinc/12/87/30/383128730.db2.gz MVXTWHMALMVHRF-IRXDYDNUSA-N 0 3 295.386 2.911 20 30 CFEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(N2CCCC2)n1 ZINC000619673787 383146527 /nfs/dbraw/zinc/14/65/27/383146527.db2.gz USIHVRRMSUUEQS-HOCLYGCPSA-N 0 3 284.407 2.772 20 30 CFEDHN C=CCN1CC[C@H](N(C)C2CCC(C(C)C)CC2)C1=O ZINC000499735747 383135168 /nfs/dbraw/zinc/13/51/68/383135168.db2.gz RSVNUMAFIOIJMJ-GPANFISMSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccccc3)C(C)(C)C2)C1=O ZINC000499554233 383135533 /nfs/dbraw/zinc/13/55/33/383135533.db2.gz STTMDLCZNFBUCB-IRXDYDNUSA-N 0 3 298.430 2.899 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(CC)c1 ZINC000580993323 383082573 /nfs/dbraw/zinc/08/25/73/383082573.db2.gz MVKFXBWETXVWDG-CVEARBPZSA-N 0 3 288.391 2.511 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H]1CCCN(C)C1=O ZINC000583679715 383091641 /nfs/dbraw/zinc/09/16/41/383091641.db2.gz HWZJWJJKVCZFEM-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(C)[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000246664798 383091662 /nfs/dbraw/zinc/09/16/62/383091662.db2.gz DZLGAQKQMPEKLZ-CABCVRRESA-N 0 3 279.428 2.505 20 30 CFEDHN CCC[C@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246700164 383095053 /nfs/dbraw/zinc/09/50/53/383095053.db2.gz ZFLLGPLNPXXNFY-CABCVRRESA-N 0 3 279.428 2.507 20 30 CFEDHN Cc1cc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc(C#N)n1 ZINC000553146245 383099172 /nfs/dbraw/zinc/09/91/72/383099172.db2.gz GTXRLDNOJOAUCJ-MSOLQXFVSA-N 0 3 292.386 2.541 20 30 CFEDHN C=CCOc1cccc(CN(C)C[C@@H]2CCC[C@H]2O)c1 ZINC000246822533 383108778 /nfs/dbraw/zinc/10/87/78/383108778.db2.gz RJZBYAXLPYGYMM-DOTOQJQBSA-N 0 3 275.392 2.844 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](CC(C)C)C1 ZINC000246818875 383108813 /nfs/dbraw/zinc/10/88/13/383108813.db2.gz ADTFVJQRZMODSC-CVEARBPZSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC000565194595 383176540 /nfs/dbraw/zinc/17/65/40/383176540.db2.gz MIKYPKFJVIOTJR-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(C)n1c2ccccc2nc1NC(=O)[C@H](N)CCCC#N ZINC000565432454 383179648 /nfs/dbraw/zinc/17/96/48/383179648.db2.gz UEJFYHIEKIRSLE-GFCCVEGCSA-N 0 3 299.378 2.577 20 30 CFEDHN CC(C)C[C@@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000517373189 383179698 /nfs/dbraw/zinc/17/96/98/383179698.db2.gz IYPFNXCALWNSQN-HNNXBMFYSA-N 0 3 283.379 2.611 20 30 CFEDHN C=CCOCCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000339203546 383183252 /nfs/dbraw/zinc/18/32/52/383183252.db2.gz YNAWYLOMWOEVJU-HOCLYGCPSA-N 0 3 295.810 2.550 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC[C@H](C#N)CCC#N)c1ccco1 ZINC000566120081 383184199 /nfs/dbraw/zinc/18/41/99/383184199.db2.gz GGNZLUAESSBCON-KKUMJFAQSA-N 0 3 288.395 2.742 20 30 CFEDHN C=CCN1CCC(NCc2ncc(CSC)s2)CC1 ZINC000339243007 383185876 /nfs/dbraw/zinc/18/58/76/383185876.db2.gz TVKVQHJGLGKWOF-UHFFFAOYSA-N 0 3 297.493 2.746 20 30 CFEDHN CC[C@@H](CSC)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000518442133 383197512 /nfs/dbraw/zinc/19/75/12/383197512.db2.gz TVHQOMDECYIGES-ZDUSSCGKSA-N 0 3 288.420 2.779 20 30 CFEDHN Cc1cc(CN[C@@H](C)c2cc[nH]c(=O)c2)ccc1C#N ZINC000339459027 383204905 /nfs/dbraw/zinc/20/49/05/383204905.db2.gz GPUBAPPDMKTEFW-LBPRGKRZSA-N 0 3 267.332 2.818 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000424606031 383208573 /nfs/dbraw/zinc/20/85/73/383208573.db2.gz IVUSXRZJWRSTOS-KGLIPLIRSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)CN(C)C ZINC000512435781 383151809 /nfs/dbraw/zinc/15/18/09/383151809.db2.gz CGQGUJWCJSLWKO-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN CC(C)(C)C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514940852 383156750 /nfs/dbraw/zinc/15/67/50/383156750.db2.gz ZYBRNGPDAJGOTC-CYBMUJFWSA-N 0 3 297.406 2.859 20 30 CFEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000514930160 383156761 /nfs/dbraw/zinc/15/67/61/383156761.db2.gz VQMVQVLCGGEBQZ-SUMWQHHRSA-N 0 3 291.439 2.695 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000424616357 383211482 /nfs/dbraw/zinc/21/14/82/383211482.db2.gz ZRMOLLQQQAVWDL-UHFFFAOYSA-N 0 3 274.408 2.837 20 30 CFEDHN C=C(C)[C@@H](NCC[C@@H]1CCNC1=O)c1ccc(F)c(F)c1 ZINC000516082885 383162409 /nfs/dbraw/zinc/16/24/09/383162409.db2.gz GWKSGACDBIOWQU-IAQYHMDHSA-N 0 3 294.345 2.698 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)CCC1 ZINC000563194778 383166709 /nfs/dbraw/zinc/16/67/09/383166709.db2.gz OVJVAXGBVIBFCL-AWEZNQCLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCn1cccc1C(=O)N(CC)C[C@H]1CCCN1CC ZINC000564116283 383169738 /nfs/dbraw/zinc/16/97/38/383169738.db2.gz IMWKQEVJQAFVIZ-OAHLLOKOSA-N 0 3 289.423 2.621 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000247396741 383170278 /nfs/dbraw/zinc/17/02/78/383170278.db2.gz LWVJYJVHOOKYCZ-WMZOPIPTSA-N 0 3 288.435 2.520 20 30 CFEDHN CCOc1ccc(Cl)cc1CCNC(=O)C(C)C#N ZINC000339612714 383262001 /nfs/dbraw/zinc/26/20/01/383262001.db2.gz GFCMMRAWHXCZDP-SNVBAGLBSA-N 0 3 280.755 2.557 20 30 CFEDHN CCC[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000248574875 383262590 /nfs/dbraw/zinc/26/25/90/383262590.db2.gz GYAVNLUQTUNTKH-GDBMZVCRSA-N 0 3 279.428 2.695 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000248688802 383281578 /nfs/dbraw/zinc/28/15/78/383281578.db2.gz IJKBFASZRWBRCL-IIAWOOMASA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248613196 383270972 /nfs/dbraw/zinc/27/09/72/383270972.db2.gz HHDUDUVSMNOYHF-HOTGVXAUSA-N 0 3 284.403 2.598 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000248610929 383271063 /nfs/dbraw/zinc/27/10/63/383271063.db2.gz GIWYBRJUQQLSCN-SOUVJXGZSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000424841730 383276702 /nfs/dbraw/zinc/27/67/02/383276702.db2.gz APCUWCWEWFFRMG-CYBMUJFWSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)COCCNCc1c(C)nn(C(C)(C)C)c1C ZINC000339501680 383220013 /nfs/dbraw/zinc/22/00/13/383220013.db2.gz YVJHQYMVWIDCIH-UHFFFAOYSA-N 0 3 279.428 2.937 20 30 CFEDHN CC[C@H](NCc1ccccc1C#N)C1CCOCC1 ZINC000339508235 383223096 /nfs/dbraw/zinc/22/30/96/383223096.db2.gz SNCJUXZHUSCTJX-INIZCTEOSA-N 0 3 258.365 2.853 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000519829091 383240489 /nfs/dbraw/zinc/24/04/89/383240489.db2.gz PORSDRFWRLUUGZ-VBNZEHGJSA-N 0 3 290.382 2.681 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000519832003 383240657 /nfs/dbraw/zinc/24/06/57/383240657.db2.gz KWFGTFCHKFTQCN-ZJNRKIDTSA-N 0 3 293.370 2.996 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000449498413 383335926 /nfs/dbraw/zinc/33/59/26/383335926.db2.gz LHLKCTVEGXUQGI-XJKSGUPXSA-N 0 3 288.391 2.814 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425220230 383341781 /nfs/dbraw/zinc/34/17/81/383341781.db2.gz BYIZQIAPYFYFDT-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000249402948 383343616 /nfs/dbraw/zinc/34/36/16/383343616.db2.gz VOKQYRYNNQYMMJ-CZUORRHYSA-N 0 3 281.363 2.548 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339676481 383285220 /nfs/dbraw/zinc/28/52/20/383285220.db2.gz UMUFALCCUTVGCA-FRFSOERESA-N 0 3 291.439 2.551 20 30 CFEDHN CC(C)[C@@H](C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521252681 383292472 /nfs/dbraw/zinc/29/24/72/383292472.db2.gz MBNJSIQTUNYEPG-LLVKDONJSA-N 0 3 261.325 2.943 20 30 CFEDHN COc1cc(C)nc(CN[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000449444442 383296202 /nfs/dbraw/zinc/29/62/02/383296202.db2.gz AISBCYCAHLRDPN-STQMWFEESA-N 0 3 259.353 2.571 20 30 CFEDHN COc1ncc(CN[C@H]2CC[C@H](C#N)C2)cc1Cl ZINC000449461836 383307125 /nfs/dbraw/zinc/30/71/25/383307125.db2.gz RUOBVSPPLOJAEY-ONGXEEELSA-N 0 3 265.744 2.525 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000427695920 383415289 /nfs/dbraw/zinc/41/52/89/383415289.db2.gz MUOBTTLJDOATBD-INMHGKMJSA-N 0 3 273.376 2.909 20 30 CFEDHN CCCO[C@@H]1CCCN(CC2(C#N)CCC2)CC1 ZINC000450396241 383393814 /nfs/dbraw/zinc/39/38/14/383393814.db2.gz STTRXHINQWONIJ-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN CS[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000568384019 383395966 /nfs/dbraw/zinc/39/59/66/383395966.db2.gz RUPDOJUJAMJJPV-JHJVBQTASA-N 0 3 251.399 2.694 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC=C(C)C)C(C)C ZINC000478767540 383397176 /nfs/dbraw/zinc/39/71/76/383397176.db2.gz XVJBCCOJVLBCHP-MRXNPFEDSA-N 0 3 293.455 2.950 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(C#N)s1 ZINC000252000487 383402141 /nfs/dbraw/zinc/40/21/41/383402141.db2.gz WPKZWAMYULNKLF-SQNXGDPESA-N 0 3 262.378 2.838 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(N(C)C(C)C)nc1 ZINC000449548626 383354469 /nfs/dbraw/zinc/35/44/69/383354469.db2.gz PBUSQYOXNLFJRH-CVEARBPZSA-N 0 3 289.423 2.749 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(-c2ccccc2)n[nH]1 ZINC000449546704 383354674 /nfs/dbraw/zinc/35/46/74/383354674.db2.gz DKNDFFUFKANIDZ-WBVHZDCISA-N 0 3 283.375 2.900 20 30 CFEDHN C[C@H]1C[C@H](O)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449769482 383365136 /nfs/dbraw/zinc/36/51/36/383365136.db2.gz UTVKNLKHTYFKTK-HOCLYGCPSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000449941108 383373001 /nfs/dbraw/zinc/37/30/01/383373001.db2.gz OSIKCTZRJBYPCC-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCCCCN(C)Cc1cnc(N(C)C)n1C ZINC000425337844 383375166 /nfs/dbraw/zinc/37/51/66/383375166.db2.gz OLFJDMSULRUTKG-UHFFFAOYSA-N 0 3 264.417 2.664 20 30 CFEDHN CC(C)[C@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470983223 383376468 /nfs/dbraw/zinc/37/64/68/383376468.db2.gz LOLGAGTXFJSXNN-CJNGLKHVSA-N 0 3 283.375 2.649 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCCC1 ZINC000450106537 383382065 /nfs/dbraw/zinc/38/20/65/383382065.db2.gz OJNBJGCLXNZDBL-HIFRSBDPSA-N 0 3 276.424 2.722 20 30 CFEDHN N#CC1(CCN2CCC[C@H](n3ccnn3)C2)CCCCC1 ZINC000425518635 383382756 /nfs/dbraw/zinc/38/27/56/383382756.db2.gz VXPKULCCUJMRJB-HNNXBMFYSA-N 0 3 287.411 2.779 20 30 CFEDHN CC[C@@](C)(C(=O)OC)N(CCCCC#N)CC1CC1 ZINC000425516489 383382938 /nfs/dbraw/zinc/38/29/38/383382938.db2.gz VHCIPCLEMPFJTP-HNNXBMFYSA-N 0 3 266.385 2.734 20 30 CFEDHN C=CCNC(=O)CNC[C@@H](CC(C)C)c1ccccc1 ZINC000474880490 383385763 /nfs/dbraw/zinc/38/57/63/383385763.db2.gz TVFOIAWQNFYFOS-MRXNPFEDSA-N 0 3 274.408 2.708 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC23CCCC3)cc1 ZINC000526930249 383438031 /nfs/dbraw/zinc/43/80/31/383438031.db2.gz DWPLZFSVOCEIOI-HOTGVXAUSA-N 0 3 293.370 2.689 20 30 CFEDHN C=C[C@@H](CO)Nc1ccnc2ccc(CCC)cc21 ZINC000450533016 383450095 /nfs/dbraw/zinc/45/00/95/383450095.db2.gz SFTLWUBPRPQILW-ZDUSSCGKSA-N 0 3 256.349 2.568 20 30 CFEDHN C=CCN(CC(=O)N[C@H](C)CC)CC1CCCCC1 ZINC000484576922 383457091 /nfs/dbraw/zinc/45/70/91/383457091.db2.gz ZRWCPKXXNLOSKO-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000527801362 383471540 /nfs/dbraw/zinc/47/15/40/383471540.db2.gz ITIVMDKBKZBOBO-CABCVRRESA-N 0 3 262.328 2.743 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@](O)(CC)C2)cc1 ZINC000428447473 383475079 /nfs/dbraw/zinc/47/50/79/383475079.db2.gz MTEKLQCZJADMKK-INIZCTEOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H]2CCO)cc1OC ZINC000428469189 383480546 /nfs/dbraw/zinc/48/05/46/383480546.db2.gz SKDHXCHOWJGEAW-HNNXBMFYSA-N 0 3 291.391 2.607 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC1(C#N)CCC1 ZINC000450756995 383485696 /nfs/dbraw/zinc/48/56/96/383485696.db2.gz LNQQNPDXADASJH-KGLIPLIRSA-N 0 3 250.386 2.864 20 30 CFEDHN Cc1c(C#N)c(N2C[C@H]3CCN(C)[C@H]3C2)nc2ccccc12 ZINC000450778286 383487919 /nfs/dbraw/zinc/48/79/19/383487919.db2.gz LTLXTPHOEAFJCY-DYVFJYSZSA-N 0 3 292.386 2.555 20 30 CFEDHN Cc1cc(CN(C)CCc2nccs2)ccc1C#N ZINC000488104277 383496145 /nfs/dbraw/zinc/49/61/45/383496145.db2.gz SZOJYQXAUJFYKM-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000488153469 383499957 /nfs/dbraw/zinc/49/99/57/383499957.db2.gz SFZYBFDLCSHSCR-LLVKDONJSA-N 0 3 271.345 2.929 20 30 CFEDHN Cc1cc(CN2[C@H](C)CCC[C@@H]2CO)ccc1C#N ZINC000488166711 383502722 /nfs/dbraw/zinc/50/27/22/383502722.db2.gz UZPCEVBSXPSKQA-CZUORRHYSA-N 0 3 258.365 2.602 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429275621 383506312 /nfs/dbraw/zinc/50/63/12/383506312.db2.gz VDNDGIAGFXWGPC-PBHICJAKSA-N 0 3 292.398 2.663 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429275624 383506605 /nfs/dbraw/zinc/50/66/05/383506605.db2.gz VDNDGIAGFXWGPC-WMLDXEAASA-N 0 3 292.398 2.663 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)cn1 ZINC000280800537 194979187 /nfs/dbraw/zinc/97/91/87/194979187.db2.gz KOGFZLCUAHXPTC-HUBLWGQQSA-N 0 3 264.344 2.853 20 30 CFEDHN N#CCC1(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000430001308 383581182 /nfs/dbraw/zinc/58/11/82/383581182.db2.gz CWFMESQYQGFWKE-UHFFFAOYSA-N 0 3 298.365 2.854 20 30 CFEDHN CCN(CC)c1ncc(CNCC2(CC#N)CC2)s1 ZINC000430015594 383582478 /nfs/dbraw/zinc/58/24/78/383582478.db2.gz ANUNDPNZYFIEAV-UHFFFAOYSA-N 0 3 278.425 2.773 20 30 CFEDHN CC(C)N(C)c1ccc(CNCC2(CC#N)CC2)cn1 ZINC000430032457 383585164 /nfs/dbraw/zinc/58/51/64/383585164.db2.gz CMADNNGSXFLNOQ-UHFFFAOYSA-N 0 3 272.396 2.710 20 30 CFEDHN CCC(C#N)(CC)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000528617166 383591538 /nfs/dbraw/zinc/59/15/38/383591538.db2.gz PHHRRRINNNHYAA-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(=O)Nc1ccc([C@@H](C)NCC2(CC#N)CC2)cc1 ZINC000430726330 383596728 /nfs/dbraw/zinc/59/67/28/383596728.db2.gz DBGCDPNZLZPFHK-GFCCVEGCSA-N 0 3 271.364 2.989 20 30 CFEDHN Cc1ccc2c(CN3CCC(C#N)CC3)ccc(O)c2n1 ZINC000429678568 383557603 /nfs/dbraw/zinc/55/76/03/383557603.db2.gz AVRHEZQVZFMKGB-UHFFFAOYSA-N 0 3 281.359 2.984 20 30 CFEDHN C=CCN(C)CCN(CC)[C@@H](C)c1nc(C(C)C)no1 ZINC000429719211 383562468 /nfs/dbraw/zinc/56/24/68/383562468.db2.gz OJGWWDQJFWHZRP-ZDUSSCGKSA-N 0 3 280.416 2.694 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)c2cccc(F)c2C#N)C1 ZINC000450950423 383564603 /nfs/dbraw/zinc/56/46/03/383564603.db2.gz MQYUEPQNWKKMPG-GFCCVEGCSA-N 0 3 261.344 2.616 20 30 CFEDHN C=CCCCCCNCc1ccc(S(C)(=O)=O)s1 ZINC000570060263 383568462 /nfs/dbraw/zinc/56/84/62/383568462.db2.gz SBJSOKOMUIYRHY-UHFFFAOYSA-N 0 3 287.450 2.988 20 30 CFEDHN CCO[C@@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1C ZINC000451541055 383638915 /nfs/dbraw/zinc/63/89/15/383638915.db2.gz LHMQJANHSUKWMV-GOEBONIOSA-N 0 3 288.391 2.684 20 30 CFEDHN CO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451549419 383642323 /nfs/dbraw/zinc/64/23/23/383642323.db2.gz SXQWLWDEFCVMEB-WOSRLPQWSA-N 0 3 258.365 2.976 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1nccs1 ZINC000280892143 195017674 /nfs/dbraw/zinc/01/76/74/195017674.db2.gz QEVYSWOXRRXBBJ-WOPDTQHZSA-N 0 3 252.383 2.775 20 30 CFEDHN C=CCNC(=O)CN1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528741102 383620708 /nfs/dbraw/zinc/62/07/08/383620708.db2.gz FZALDUSXJQXOOS-OAHLLOKOSA-N 0 3 290.382 2.696 20 30 CFEDHN C=CCC(C)(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000431025897 383624304 /nfs/dbraw/zinc/62/43/04/383624304.db2.gz QBUWOMCZOWYFQY-UHFFFAOYSA-N 0 3 274.408 2.967 20 30 CFEDHN N#CCCCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762139 383629001 /nfs/dbraw/zinc/62/90/01/383629001.db2.gz KTHAKPHTUDJPQW-UHFFFAOYSA-N 0 3 282.391 2.984 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000414499112 533006523 /nfs/dbraw/zinc/00/65/23/533006523.db2.gz JKGNFADZROTDET-YGRLFVJLSA-N 0 3 264.394 2.913 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(CC)cc3)C2)C1=O ZINC000433083200 383754184 /nfs/dbraw/zinc/75/41/84/383754184.db2.gz OAWLYYYIQCSWME-QZTJIDSGSA-N 0 3 298.430 2.825 20 30 CFEDHN CC(C)[C@@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000529802258 383755451 /nfs/dbraw/zinc/75/54/51/383755451.db2.gz GALWMBCDPYGQKI-RDJZCZTQSA-N 0 3 299.418 2.515 20 30 CFEDHN CN(Cc1ccncc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433221597 383755893 /nfs/dbraw/zinc/75/58/93/383755893.db2.gz QFEOHHADIYNWGK-KRWDZBQOSA-N 0 3 293.370 2.813 20 30 CFEDHN CN(CC1CCN(C(=O)C(C)(C)C)CC1)CC(C)(C)C#N ZINC000433289864 383757533 /nfs/dbraw/zinc/75/75/33/383757533.db2.gz RIPYKFCIQRMCSI-UHFFFAOYSA-N 0 3 293.455 2.753 20 30 CFEDHN CC(C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000433316585 383760720 /nfs/dbraw/zinc/76/07/20/383760720.db2.gz GJBBUXRSUAQNLU-HNNXBMFYSA-N 0 3 258.365 2.873 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC=CCC1 ZINC000433351222 383761741 /nfs/dbraw/zinc/76/17/41/383761741.db2.gz GNJNMRLUHSOWMQ-CVEARBPZSA-N 0 3 268.360 2.984 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(C#N)CC1 ZINC000433349588 383761972 /nfs/dbraw/zinc/76/19/72/383761972.db2.gz DDNSIVYYOKPMLY-INIZCTEOSA-N 0 3 281.359 2.521 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2CCC3(CC3)CC2)CC1 ZINC000433903920 383763651 /nfs/dbraw/zinc/76/36/51/383763651.db2.gz NGBBJKMQGWIPDA-UHFFFAOYSA-N 0 3 291.439 2.659 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434355449 383767820 /nfs/dbraw/zinc/76/78/20/383767820.db2.gz NDWALTKBIRWQGR-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@H](O)CCOCC ZINC000434626011 383769916 /nfs/dbraw/zinc/76/99/16/383769916.db2.gz GQHNSXJPIDXKGU-ZDUSSCGKSA-N 0 3 269.410 2.524 20 30 CFEDHN CC1=CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000280943290 195040190 /nfs/dbraw/zinc/04/01/90/195040190.db2.gz WIFRWCOSJOSHCL-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN C#Cc1ccc(CNCCc2c(C)noc2C)cc1 ZINC000280920224 195028203 /nfs/dbraw/zinc/02/82/03/195028203.db2.gz GGUFGPKDBVYIEL-UHFFFAOYSA-N 0 3 254.333 2.605 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc(C#N)c1 ZINC000264939730 383805357 /nfs/dbraw/zinc/80/53/57/383805357.db2.gz HDJJSNJLMLNWPE-INIZCTEOSA-N 0 3 285.391 2.553 20 30 CFEDHN CCCN(C)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000436349957 383807925 /nfs/dbraw/zinc/80/79/25/383807925.db2.gz FFCKTOAIWBNPMZ-IRXDYDNUSA-N 0 3 299.418 2.627 20 30 CFEDHN CN(CCOc1ccccc1C#N)Cc1cccc(O)c1 ZINC000530662794 383781312 /nfs/dbraw/zinc/78/13/12/383781312.db2.gz CABZRJMNZFCCIK-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN CC(C)OC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000530686606 383784718 /nfs/dbraw/zinc/78/47/18/383784718.db2.gz JJHCZDBJOHDWNI-UHFFFAOYSA-N 0 3 258.365 2.948 20 30 CFEDHN CC(C)[C@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000264832654 383788644 /nfs/dbraw/zinc/78/86/44/383788644.db2.gz ZMMZWGDBIFECOV-IRXDYDNUSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C(C)CN(CCC[C@H]1CCOC1)Cc1ccc(CO)o1 ZINC000645910821 383789926 /nfs/dbraw/zinc/78/99/26/383789926.db2.gz YCCFZEZSRYSFSH-HNNXBMFYSA-N 0 3 293.407 2.967 20 30 CFEDHN C#CCCCC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000192079832 533013052 /nfs/dbraw/zinc/01/30/52/533013052.db2.gz XRJPKFQAXYRJOD-UHFFFAOYSA-N 0 3 298.430 2.879 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NCC2(C#N)CC2)C1 ZINC000572580419 383795023 /nfs/dbraw/zinc/79/50/23/383795023.db2.gz DMSHMRHZUZTGCR-GOEBONIOSA-N 0 3 269.392 2.715 20 30 CFEDHN C=CCN1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000265163175 383848701 /nfs/dbraw/zinc/84/87/01/383848701.db2.gz WMKOFCMIWOVCRZ-UHFFFAOYSA-N 0 3 276.771 2.669 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000573035761 383861447 /nfs/dbraw/zinc/86/14/47/383861447.db2.gz PYGONPMCXIEUQX-HOCLYGCPSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H]1CC2(CN1CC#Cc1ccccc1)CCOCC2 ZINC000646097321 383871394 /nfs/dbraw/zinc/87/13/94/383871394.db2.gz SNYSIPPOBBAIFF-MRXNPFEDSA-N 0 3 269.388 2.929 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCOC[C@@H]1CCCO1 ZINC000573114257 383873488 /nfs/dbraw/zinc/87/34/88/383873488.db2.gz MGKYDRLPCPULIZ-YOEHRIQHSA-N 0 3 288.391 2.747 20 30 CFEDHN CCC(C)(C)OCCNCc1cnc2ccc(C#N)cn12 ZINC000453618589 383881182 /nfs/dbraw/zinc/88/11/82/383881182.db2.gz SOAWPQPYVBBGSV-UHFFFAOYSA-N 0 3 286.379 2.501 20 30 CFEDHN C=CCCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640565430 383830005 /nfs/dbraw/zinc/83/00/05/383830005.db2.gz YFCFTVODFFHBSE-QWHCGFSZSA-N 0 3 273.298 2.687 20 30 CFEDHN CCCC[C@@H](CC)CCN1CCN(CC#N)CC1 ZINC000437605600 383907546 /nfs/dbraw/zinc/90/75/46/383907546.db2.gz RXLWHSJFBAXUNP-OAHLLOKOSA-N 0 3 251.418 2.734 20 30 CFEDHN CC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N(CC)CC ZINC000265404793 383908618 /nfs/dbraw/zinc/90/86/18/383908618.db2.gz BMCHNTDQBNREQP-MRXNPFEDSA-N 0 3 287.407 2.637 20 30 CFEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)c1cccc(F)c1 ZINC000265553725 383945045 /nfs/dbraw/zinc/94/50/45/383945045.db2.gz QXTZFLOMVVYLQN-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN N#CCCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265649062 383968075 /nfs/dbraw/zinc/96/80/75/383968075.db2.gz NCKSFEWCSQSFKR-UHFFFAOYSA-N 0 3 266.348 2.956 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C(C)C)no2)CC1 ZINC000265669843 383973600 /nfs/dbraw/zinc/97/36/00/383973600.db2.gz ZCQAIFYLOZVSAT-UHFFFAOYSA-N 0 3 264.373 2.645 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000573917227 384011310 /nfs/dbraw/zinc/01/13/10/384011310.db2.gz PHSYVNFJAPBEQQ-WQVCFCJDSA-N 0 3 256.349 2.730 20 30 CFEDHN C=CCCCN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000532920964 384083524 /nfs/dbraw/zinc/08/35/24/384083524.db2.gz YOKLLRCRIFSKBO-IHRRRGAJSA-N 0 3 251.370 2.759 20 30 CFEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cnn(C)c1 ZINC000266133789 384089381 /nfs/dbraw/zinc/08/93/81/384089381.db2.gz DRIYVCJIFQXGPF-AWEZNQCLSA-N 0 3 297.406 2.621 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000440004981 384054833 /nfs/dbraw/zinc/05/48/33/384054833.db2.gz RHNLZVUBGOZDPC-WPRPVWTQSA-N 0 3 262.275 2.773 20 30 CFEDHN CC[C@H](CNC(=O)C(C)C#N)Oc1cccc(Cl)c1 ZINC000440638006 384117443 /nfs/dbraw/zinc/11/74/43/384117443.db2.gz IWHOCFMJZCNJPJ-ZYHUDNBSSA-N 0 3 280.755 2.773 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000637621165 384137181 /nfs/dbraw/zinc/13/71/81/384137181.db2.gz KLWINPSEWPSWSH-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000637623946 384140370 /nfs/dbraw/zinc/14/03/70/384140370.db2.gz RJCXAIMVJWNVFN-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000574888112 384160447 /nfs/dbraw/zinc/16/04/47/384160447.db2.gz NEJPUAXBCNIWAX-HUUCEWRRSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCN1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000266412770 384169837 /nfs/dbraw/zinc/16/98/37/384169837.db2.gz QWDJJANXSBLGMY-UHFFFAOYSA-N 0 3 277.318 2.899 20 30 CFEDHN C=CCOCCNCc1cn(CC)nc1-c1ccccc1 ZINC000641745826 384310493 /nfs/dbraw/zinc/31/04/93/384310493.db2.gz DJEZPLJHPLLNRE-UHFFFAOYSA-N 0 3 285.391 2.862 20 30 CFEDHN CN(C)[C@@]1(CNc2ccc(F)cc2C#N)CCSC1 ZINC000267104313 384301090 /nfs/dbraw/zinc/30/10/90/384301090.db2.gz PTIFAKMIECSZRK-CQSZACIVSA-N 0 3 279.384 2.547 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](C)NCC ZINC000637994814 384337654 /nfs/dbraw/zinc/33/76/54/384337654.db2.gz OJWQCQRDYMOBMZ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@H](CO)NCc1nccc2ccccc21 ZINC000641760024 384326773 /nfs/dbraw/zinc/32/67/73/384326773.db2.gz LRVMYHIJBZBAOQ-CQSZACIVSA-N 0 3 256.349 2.652 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(F)c2ccccc12 ZINC000641767120 384333498 /nfs/dbraw/zinc/33/34/98/384333498.db2.gz HAHRIEHKFDMRCV-CQSZACIVSA-N 0 3 271.335 2.843 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc2ccccc2s1 ZINC000641768064 384334704 /nfs/dbraw/zinc/33/47/04/384334704.db2.gz VNNMOGZFYWFWMR-CYBMUJFWSA-N 0 3 259.374 2.765 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)[nH]1 ZINC000642282656 384419899 /nfs/dbraw/zinc/41/98/99/384419899.db2.gz QLNHGUAHUDERSW-CYBMUJFWSA-N 0 3 268.320 2.528 20 30 CFEDHN C=CC[C@H]1N(Cc2cc(=O)c(O)co2)CCCC1(C)C ZINC000277933166 384442933 /nfs/dbraw/zinc/44/29/33/384442933.db2.gz YVKFISGBDWBREL-OAHLLOKOSA-N 0 3 277.364 2.912 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C2\CC[C@H](C)C2)CC1 ZINC000267837238 384476122 /nfs/dbraw/zinc/47/61/22/384476122.db2.gz GMSANBJKZWQRLB-AYYGCFCKSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@H](CC(F)(F)F)C1 ZINC000643253762 384528191 /nfs/dbraw/zinc/52/81/91/384528191.db2.gz DXOLHTRJGXTJBH-MNOVXSKESA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCC[C@@H](CC)N[C@H](c1nncn1C)C(C)C ZINC000289357193 197309938 /nfs/dbraw/zinc/30/99/38/197309938.db2.gz JWGSBCXXOWAWOW-OLZOCXBDSA-N 0 3 250.390 2.847 20 30 CFEDHN N#Cc1cc(CN2CCC3(C2)CCOCC3)ccc1F ZINC000268258429 384582669 /nfs/dbraw/zinc/58/26/69/384582669.db2.gz WNCJYZGNBWWFRY-UHFFFAOYSA-N 0 3 274.339 2.700 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](C)NCC)CCCC1 ZINC000638404842 384626512 /nfs/dbraw/zinc/62/65/12/384626512.db2.gz NRADLOQUJBMCQY-ZDUSSCGKSA-N 0 3 252.402 2.627 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC(C)(C)C#N ZINC000278686335 384592840 /nfs/dbraw/zinc/59/28/40/384592840.db2.gz DTFKWMPPTHHZJK-HOCLYGCPSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCc1cc(CN2CC(C3CC3)C2)cc(OC)c1O ZINC000643345101 384598433 /nfs/dbraw/zinc/59/84/33/384598433.db2.gz BHBQPJNWKBTCAJ-UHFFFAOYSA-N 0 3 273.376 2.971 20 30 CFEDHN C=CC(C)(C)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000638454495 384672738 /nfs/dbraw/zinc/67/27/38/384672738.db2.gz HNFKROWWQUALPE-CQSZACIVSA-N 0 3 260.381 2.795 20 30 CFEDHN CCC[C@@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1ccccc1 ZINC000279682986 384720161 /nfs/dbraw/zinc/72/01/61/384720161.db2.gz OYZGIVHOGNTRSQ-MSOLQXFVSA-N 0 3 297.402 2.889 20 30 CFEDHN C=CCCCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000279716842 384734489 /nfs/dbraw/zinc/73/44/89/384734489.db2.gz INVLWMOBFISBRO-LBPRGKRZSA-N 0 3 297.196 2.531 20 30 CFEDHN COc1ccc(CN2CCC3(C2)CCOCC3)cc1C#N ZINC000269683864 384834900 /nfs/dbraw/zinc/83/49/00/384834900.db2.gz FSOQMOIYMUVOIT-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN C#Cc1ccc(CN[C@@H](C)COCC(F)(F)F)cc1 ZINC000289298669 197287912 /nfs/dbraw/zinc/28/79/12/197287912.db2.gz QOXFASYWUPZHMD-NSHDSACASA-N 0 3 271.282 2.725 20 30 CFEDHN C=CCCOCC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000644123861 384866737 /nfs/dbraw/zinc/86/67/37/384866737.db2.gz LVOOQNZKHCJDOV-QGZVFWFLSA-N 0 3 298.386 2.549 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(Br)cn1 ZINC000280266153 384952755 /nfs/dbraw/zinc/95/27/55/384952755.db2.gz CMMVDZFRFVFAGJ-ZYHUDNBSSA-N 0 3 299.212 2.822 20 30 CFEDHN CC(C)[C@H](O)C(C)(C)CNCc1ccc(C#N)cc1F ZINC000269960045 384921144 /nfs/dbraw/zinc/92/11/44/384921144.db2.gz UWIQFHLILNZBTB-HNNXBMFYSA-N 0 3 278.371 2.830 20 30 CFEDHN C[C@]1(O)CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000280285900 384960146 /nfs/dbraw/zinc/96/01/46/384960146.db2.gz ZFWPTIZPWQYOJD-INIZCTEOSA-N 0 3 277.795 2.928 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCC[C@H]1O ZINC000270220171 385019253 /nfs/dbraw/zinc/01/92/53/385019253.db2.gz ZDIMUZIZUVLLGM-GDBMZVCRSA-N 0 3 277.795 2.784 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(CC)n1 ZINC000280552991 385059332 /nfs/dbraw/zinc/05/93/32/385059332.db2.gz FALBZXBVNOQMAL-BXUZGUMPSA-N 0 3 266.410 2.776 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000280561848 385061509 /nfs/dbraw/zinc/06/15/09/385061509.db2.gz FXFRPKVVOAZFRO-WMLDXEAASA-N 0 3 291.391 2.862 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000270387403 385083245 /nfs/dbraw/zinc/08/32/45/385083245.db2.gz RMJJJRBDMNDQMO-IIDMSEBBSA-N 0 3 298.430 2.945 20 30 CFEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccccc1C#N ZINC000270455735 385109287 /nfs/dbraw/zinc/10/92/87/385109287.db2.gz NYNYNHSWEGENSG-WBVHZDCISA-N 0 3 286.375 2.770 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC000639045048 385120565 /nfs/dbraw/zinc/12/05/65/385120565.db2.gz FWFIYPGREZHWSA-GFCCVEGCSA-N 0 3 278.302 2.540 20 30 CFEDHN C#CC[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000270400994 385089341 /nfs/dbraw/zinc/08/93/41/385089341.db2.gz JSIJWIQBVRNHOE-WMLDXEAASA-N 0 3 299.418 2.533 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(OC)ccc1OC ZINC000280635815 385093996 /nfs/dbraw/zinc/09/39/96/385093996.db2.gz MSSKNSKGYVUKEZ-GUYCJALGSA-N 0 3 291.391 2.775 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1csc(C)n1 ZINC000280666964 385107733 /nfs/dbraw/zinc/10/77/33/385107733.db2.gz PNSAOFUEFJCUHR-DGCLKSJQSA-N 0 3 252.383 2.522 20 30 CFEDHN Cn1ccc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000270689353 385192958 /nfs/dbraw/zinc/19/29/58/385192958.db2.gz VKYJXLUUEDXLMO-UHFFFAOYSA-N 0 3 251.333 2.676 20 30 CFEDHN C=CC[C@H](CC)N[C@H](C(=O)N(C)C)c1ccccc1 ZINC000280984709 385179515 /nfs/dbraw/zinc/17/95/15/385179515.db2.gz IQTVYOMTTYQWTJ-GJZGRUSLSA-N 0 3 260.381 2.760 20 30 CFEDHN C=CCC[C@@H](NC(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000289104204 197234876 /nfs/dbraw/zinc/23/48/76/197234876.db2.gz GAWHGUXFWJBAHX-GOEBONIOSA-N 0 3 289.423 2.943 20 30 CFEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000289083192 197230408 /nfs/dbraw/zinc/23/04/08/197230408.db2.gz BABGEEWEJYYLMK-CHWSQXEVSA-N 0 3 258.365 2.577 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@](C)(CC)OC ZINC000639160981 385264730 /nfs/dbraw/zinc/26/47/30/385264730.db2.gz IHWLGKXGVAKPKK-INIZCTEOSA-N 0 3 281.396 2.965 20 30 CFEDHN C#C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)C(C)C ZINC000282273189 385266781 /nfs/dbraw/zinc/26/67/81/385266781.db2.gz WLSITZKBLAKJRA-KRWDZBQOSA-N 0 3 284.403 2.670 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000270916579 385269636 /nfs/dbraw/zinc/26/96/36/385269636.db2.gz RDOVPNPMOJCPTN-UHFFFAOYSA-N 0 3 288.391 2.573 20 30 CFEDHN COc1cc(CN2CCCC3(CC3)C2)ccc1C#N ZINC000282284939 385270040 /nfs/dbraw/zinc/27/00/40/385270040.db2.gz LHFWRHONEVMLOZ-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000271706885 385388752 /nfs/dbraw/zinc/38/87/52/385388752.db2.gz UKSRTVOIEFFUTC-GOEBONIOSA-N 0 3 287.407 2.735 20 30 CFEDHN C[C@H](c1ccccn1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000271091967 385334179 /nfs/dbraw/zinc/33/41/79/385334179.db2.gz VIORUOCQIHKJLB-CXAGYDPISA-N 0 3 281.359 2.680 20 30 CFEDHN CC(C#N)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000352683623 533114528 /nfs/dbraw/zinc/11/45/28/533114528.db2.gz KXIGWBXSTOLIAW-CMPLNLGQSA-N 0 3 284.281 2.998 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000347116852 533115277 /nfs/dbraw/zinc/11/52/77/533115277.db2.gz SPBFROCVAVCBSG-CMPLNLGQSA-N 0 3 271.345 2.508 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000347034425 533115564 /nfs/dbraw/zinc/11/55/64/533115564.db2.gz JFXBTCFTLJUTQG-UWVGGRQHSA-N 0 3 295.180 2.656 20 30 CFEDHN COc1ccc(CN[C@@H]2CSC2(C)C)cc1C#N ZINC000282699094 385373847 /nfs/dbraw/zinc/37/38/47/385373847.db2.gz LWIDKRBPJSOJFX-CYBMUJFWSA-N 0 3 262.378 2.550 20 30 CFEDHN COc1cc(CN2CCCC[C@@H]2C[C@H](C)O)ccc1C#N ZINC000282490917 385325705 /nfs/dbraw/zinc/32/57/05/385325705.db2.gz XMJDTZKFANMAON-XJKSGUPXSA-N 0 3 288.391 2.692 20 30 CFEDHN COc1cc(C#N)ccc1CN(CCCO)CC(C)(C)C ZINC000271067165 385328054 /nfs/dbraw/zinc/32/80/54/385328054.db2.gz USJKCZFNFQBZQJ-UHFFFAOYSA-N 0 3 290.407 2.797 20 30 CFEDHN COc1cc([C@H](C)NCCCC#N)cc(OC)c1OC ZINC000271795014 385392915 /nfs/dbraw/zinc/39/29/15/385392915.db2.gz RELAEOKGNNZYSV-NSHDSACASA-N 0 3 278.352 2.667 20 30 CFEDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000271911604 385397709 /nfs/dbraw/zinc/39/77/09/385397709.db2.gz YBHGMIAVGMOICN-JOYOIKCWSA-N 0 3 272.270 2.522 20 30 CFEDHN C=C1CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283029112 385425379 /nfs/dbraw/zinc/42/53/79/385425379.db2.gz HMPDSZFKGXATHW-INIZCTEOSA-N 0 3 284.403 2.801 20 30 CFEDHN CC[C@@H](NCc1cnn(CCOC)c1)c1ccc(C#N)cc1 ZINC000282885348 385405697 /nfs/dbraw/zinc/40/56/97/385405697.db2.gz VXJSUKIWKOSTJT-QGZVFWFLSA-N 0 3 298.390 2.642 20 30 CFEDHN Cc1nccn1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271967799 385413698 /nfs/dbraw/zinc/41/36/98/385413698.db2.gz SZHFZOPRRVQFQV-LLVKDONJSA-N 0 3 272.327 2.553 20 30 CFEDHN CCC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271977319 385416753 /nfs/dbraw/zinc/41/67/53/385416753.db2.gz VYDMAJBBNOAOBC-XHDPSFHLSA-N 0 3 264.344 2.899 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000347069043 533117425 /nfs/dbraw/zinc/11/74/25/533117425.db2.gz MTMPCOYBNSQHQZ-FZMZJTMJSA-N 0 3 254.289 2.645 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000347042155 533118253 /nfs/dbraw/zinc/11/82/53/533118253.db2.gz UAVUUBQHGXXZNR-ZANVPECISA-N 0 3 294.301 2.941 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CNCc2cccc(C#N)c2)c1 ZINC000283073727 385432804 /nfs/dbraw/zinc/43/28/04/385432804.db2.gz UZZJCXCXLGVBDX-SFHVURJKSA-N 0 3 280.371 2.998 20 30 CFEDHN C=CCN(CCc1ccco1)CCc1ccccn1 ZINC000272249164 385487131 /nfs/dbraw/zinc/48/71/31/385487131.db2.gz HZWPNNHUZJFIIM-UHFFFAOYSA-N 0 3 256.349 2.948 20 30 CFEDHN CC(C)[C@H](Cn1cccn1)NCc1cccc(C#N)c1 ZINC000283849476 385508228 /nfs/dbraw/zinc/50/82/28/385508228.db2.gz BDKDXGSZBIEKKZ-INIZCTEOSA-N 0 3 268.364 2.569 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000272471671 385545491 /nfs/dbraw/zinc/54/54/91/385545491.db2.gz LKKMLTBDCXBPQZ-KBAYOESNSA-N 0 3 298.430 2.899 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN[C@H]1CCC[C@H]1CCO ZINC000286233943 385575556 /nfs/dbraw/zinc/57/55/56/385575556.db2.gz RMBZTMSJYHMEJV-NHYWBVRUSA-N 0 3 278.783 2.852 20 30 CFEDHN C=CCC[C@@H](NC[C@H](C)CN1CCOCC1)c1ccco1 ZINC000286239716 385576123 /nfs/dbraw/zinc/57/61/23/385576123.db2.gz TWUJNDBHTWFFAH-JKSUJKDBSA-N 0 3 292.423 2.845 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1c(F)cc(C#N)cc1F ZINC000286184669 385568605 /nfs/dbraw/zinc/56/86/05/385568605.db2.gz ASLURCBWNWNHRB-WCQYABFASA-N 0 3 291.345 2.899 20 30 CFEDHN C=CCOCCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000272619804 385577614 /nfs/dbraw/zinc/57/76/14/385577614.db2.gz XXXFQGIHBLWKLA-AWEZNQCLSA-N 0 3 264.325 2.838 20 30 CFEDHN C=CCC[C@H](NCCOCCOC)c1ccco1 ZINC000286353714 385596206 /nfs/dbraw/zinc/59/62/06/385596206.db2.gz YXCHRBSQUZNBTK-ZDUSSCGKSA-N 0 3 253.342 2.540 20 30 CFEDHN Cc1nsc(NC2CCN(C(C)C)CC2)c1C#N ZINC000286275995 385581722 /nfs/dbraw/zinc/58/17/22/385581722.db2.gz WTFYETYSEHHLCV-UHFFFAOYSA-N 0 3 264.398 2.608 20 30 CFEDHN Cc1nsc(NC[C@H](C)CN2CCCCC2)c1C#N ZINC000286423761 385615906 /nfs/dbraw/zinc/61/59/06/385615906.db2.gz PJKFILNLNKCCDA-NSHDSACASA-N 0 3 278.425 2.857 20 30 CFEDHN C=CCS(=O)(=O)CCNC[C@@H](CCC)c1ccccc1 ZINC000272816187 385623433 /nfs/dbraw/zinc/62/34/33/385623433.db2.gz IAKCHRMNOJZTHP-MRXNPFEDSA-N 0 3 295.448 2.761 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CCCc2ccc(C)cc21 ZINC000272917771 385652854 /nfs/dbraw/zinc/65/28/54/385652854.db2.gz XPTWKJMDCYLZNX-INIZCTEOSA-N 0 3 293.432 2.563 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@@H]1CCC[C@H]1O ZINC000286623961 385668553 /nfs/dbraw/zinc/66/85/53/385668553.db2.gz SDTJHCUQOLLGBT-HUUCEWRRSA-N 0 3 263.768 2.537 20 30 CFEDHN C#CCCCN1CCN([C@H](C)c2ccsc2)CC1 ZINC000274148273 385728552 /nfs/dbraw/zinc/72/85/52/385728552.db2.gz IJBRBTKBKGDRGR-CQSZACIVSA-N 0 3 262.422 2.840 20 30 CFEDHN C=C(CC)CN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639880225 385746908 /nfs/dbraw/zinc/74/69/08/385746908.db2.gz UUHOONHMJPIUKH-HNNXBMFYSA-N 0 3 260.381 2.841 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274295730 385758462 /nfs/dbraw/zinc/75/84/62/385758462.db2.gz QNXSAXBZBABZPX-DOTOQJQBSA-N 0 3 286.419 2.979 20 30 CFEDHN C#CCC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274300295 385761061 /nfs/dbraw/zinc/76/10/61/385761061.db2.gz FCPAZVKBYJJTFG-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Cc2nccs2)CC1 ZINC000639984038 385805730 /nfs/dbraw/zinc/80/57/30/385805730.db2.gz FXPYPBFEXYFMPH-AWEZNQCLSA-N 0 3 280.437 2.725 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CCF)CC1 ZINC000639987690 385808260 /nfs/dbraw/zinc/80/82/60/385808260.db2.gz NDMGDPZYCYTRTL-AWEZNQCLSA-N 0 3 284.419 2.871 20 30 CFEDHN C=CCCCCCCN[C@H](Cc1ccccc1)C(N)=O ZINC000287271840 385816763 /nfs/dbraw/zinc/81/67/63/385816763.db2.gz QTIFZTCXBUFEGY-MRXNPFEDSA-N 0 3 274.408 2.809 20 30 CFEDHN C=CCCCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000274542543 385820281 /nfs/dbraw/zinc/82/02/81/385820281.db2.gz USCFJHQNTUZACP-MRXNPFEDSA-N 0 3 272.392 2.952 20 30 CFEDHN C=CCC[C@H](NC[C@](C)(O)C(=O)OCC)c1ccccc1 ZINC000274684672 385848683 /nfs/dbraw/zinc/84/86/83/385848683.db2.gz YAKZWJZQGOYQSN-RDJZCZTQSA-N 0 3 291.391 2.598 20 30 CFEDHN C#CCCCN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000275082148 385929516 /nfs/dbraw/zinc/92/95/16/385929516.db2.gz DTDBHROWVNCHRX-UHFFFAOYSA-N 0 3 279.330 2.662 20 30 CFEDHN C=CCCCCCCCCNCc1cnnn1C ZINC000288547640 197109466 /nfs/dbraw/zinc/10/94/66/197109466.db2.gz XIMDIMOHZUWNNK-UHFFFAOYSA-N 0 3 250.390 2.821 20 30 CFEDHN C=CC[C@H](C(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000275100080 385932297 /nfs/dbraw/zinc/93/22/97/385932297.db2.gz FEKXMBCFJIOEQL-KRWDZBQOSA-N 0 3 286.419 2.947 20 30 CFEDHN COc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)ccc1C#N ZINC000288496916 197094468 /nfs/dbraw/zinc/09/44/68/197094468.db2.gz HQQOCQRUUFCFHP-FZKQIMNGSA-N 0 3 296.370 2.779 20 30 CFEDHN COc1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1C#N ZINC000288488406 197092963 /nfs/dbraw/zinc/09/29/63/197092963.db2.gz HBIDVMGIRFCRLU-SCLBCKFNSA-N 0 3 296.370 2.779 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCc2cc[nH]c(=O)c2C1 ZINC000276987589 386101365 /nfs/dbraw/zinc/10/13/65/386101365.db2.gz UFZWXJPAFSSXHI-LBPRGKRZSA-N 0 3 279.343 2.778 20 30 CFEDHN Cc1cc(C2CCN(CC#Cc3ccccc3)CC2)[nH]n1 ZINC000277018368 386109694 /nfs/dbraw/zinc/10/96/94/386109694.db2.gz QSIKWFSSAGIHKB-UHFFFAOYSA-N 0 3 279.387 2.949 20 30 CFEDHN OCCCC1CCN(CC#Cc2ccccc2)CC1 ZINC000277037278 386113800 /nfs/dbraw/zinc/11/38/00/386113800.db2.gz SRYZIFCOUIWNJR-UHFFFAOYSA-N 0 3 257.377 2.523 20 30 CFEDHN C#CCN(C)CCCC(=O)Nc1c(C)cccc1C ZINC000277065868 386120010 /nfs/dbraw/zinc/12/00/10/386120010.db2.gz WQESEHMUBJCPOJ-UHFFFAOYSA-N 0 3 258.365 2.587 20 30 CFEDHN Cn1cc(CN[C@H]2CCc3c2cccc3F)cc1C#N ZINC000276946419 386088662 /nfs/dbraw/zinc/08/86/62/386088662.db2.gz IBSRAPONPJHDHU-INIZCTEOSA-N 0 3 269.323 2.813 20 30 CFEDHN C=C(CNC(=O)N[C@@H](C)C1=CCN(C)CC1)c1ccccc1 ZINC000288237412 197033754 /nfs/dbraw/zinc/03/37/54/197033754.db2.gz QIJLMGYAWFVURE-HNNXBMFYSA-N 0 3 299.418 2.649 20 30 CFEDHN CC[C@H](C)[C@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573853953 322671497 /nfs/dbraw/zinc/67/14/97/322671497.db2.gz PUOKXUAGLLDWIW-QWRGUYRKSA-N 0 3 261.325 2.991 20 30 CFEDHN C=C(C)[C@@H](NC[C@@H](C)CO)c1ccc(F)c(F)c1 ZINC000681463315 542452987 /nfs/dbraw/zinc/45/29/87/542452987.db2.gz JDYZIZVDUASBNT-QMTHXVAHSA-N 0 3 255.308 2.800 20 30 CFEDHN CCC#C[C@H](C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000681473074 542453513 /nfs/dbraw/zinc/45/35/13/542453513.db2.gz ZGSPPHASELZZKH-AWEZNQCLSA-N 0 3 286.423 2.596 20 30 CFEDHN COCC#CCN[C@@H](C)c1ccc2ncsc2c1 ZINC000681595791 542466937 /nfs/dbraw/zinc/46/69/37/542466937.db2.gz UJUMZVIBXSWIIA-NSHDSACASA-N 0 3 260.362 2.597 20 30 CFEDHN OCC[C@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000279153563 285267448 /nfs/dbraw/zinc/26/74/48/285267448.db2.gz AQWWKHORTQRMAP-GDBMZVCRSA-N 0 3 277.795 2.832 20 30 CFEDHN CC[C@](C)(O)CN(CCCC#N)Cc1ccccc1 ZINC000189730447 262175378 /nfs/dbraw/zinc/17/53/78/262175378.db2.gz HHDHSYDANFGXFI-INIZCTEOSA-N 0 3 260.381 2.953 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000186685661 260004772 /nfs/dbraw/zinc/00/47/72/260004772.db2.gz ULBNRTPIRDPTCT-UKRRQHHQSA-N 0 3 273.376 2.960 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000681726856 542482122 /nfs/dbraw/zinc/48/21/22/542482122.db2.gz KQPPTOGVHBZQDX-SJORKVTESA-N 0 3 286.419 2.947 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](CC)c1cc(F)ccc1F ZINC000186711923 260008722 /nfs/dbraw/zinc/00/87/22/260008722.db2.gz NWGYFHNSIZQLSY-RISCZKNCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)[C@H](NC[C@H](O)COC(C)C)c1ccc(F)c(F)c1 ZINC000187781222 260057955 /nfs/dbraw/zinc/05/79/55/260057955.db2.gz RAQZEEMOWGUQNK-BBRMVZONSA-N 0 3 299.361 2.958 20 30 CFEDHN COc1cc(CN[C@]2(C)CCO[C@@H]2C2CC2)ccc1C#N ZINC000281661303 195325427 /nfs/dbraw/zinc/32/54/27/195325427.db2.gz KVACLYLOMAWCBV-IAGOWNOFSA-N 0 3 286.375 2.614 20 30 CFEDHN COc1cc(CN[C@]2(C)CCO[C@H]2C2CC2)ccc1C#N ZINC000281661298 195325834 /nfs/dbraw/zinc/32/58/34/195325834.db2.gz KVACLYLOMAWCBV-DLBZAZTESA-N 0 3 286.375 2.614 20 30 CFEDHN COc1cc(CNC[C@H](O)c2ccccc2C)ccc1C#N ZINC000281698585 195341915 /nfs/dbraw/zinc/34/19/15/195341915.db2.gz NOCSGUMEKFNKQG-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN COc1cc(CNC[C@@H](O)c2ccccc2C)ccc1C#N ZINC000281698589 195342124 /nfs/dbraw/zinc/34/21/24/195342124.db2.gz NOCSGUMEKFNKQG-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(C(=O)C(C)C#N)[C@@H]2C ZINC000332679754 533272790 /nfs/dbraw/zinc/27/27/90/533272790.db2.gz LVOHPXJWAXZRHP-GRYCIOLGSA-N 0 3 272.348 2.689 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)NC[C@@H](C)N(C)C)c1 ZINC000263653960 533521107 /nfs/dbraw/zinc/52/11/07/533521107.db2.gz MBWCDBGCBNQNQF-CYBMUJFWSA-N 0 3 291.395 2.713 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1nccc(C#N)c1Cl ZINC000341840582 130084982 /nfs/dbraw/zinc/08/49/82/130084982.db2.gz HLXDQYBURAHFKR-NWDGAFQWSA-N 0 3 292.814 2.561 20 30 CFEDHN Cc1cc(CNC[C@H](O)Cc2ccccc2)ccc1C#N ZINC000342174296 130308507 /nfs/dbraw/zinc/30/85/07/130308507.db2.gz AOWCOLABHRMYFW-GOSISDBHSA-N 0 3 280.371 2.560 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000191885805 130324029 /nfs/dbraw/zinc/32/40/29/130324029.db2.gz TYXKDBBBORNILN-KRWDZBQOSA-N 0 3 286.419 2.771 20 30 CFEDHN Cc1nsc(NCCN2[C@@H](C)CCC[C@@H]2C)c1C#N ZINC000342222485 130393994 /nfs/dbraw/zinc/39/39/94/130393994.db2.gz MASBKYYKYVODIJ-QWRGUYRKSA-N 0 3 278.425 2.998 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C)C1 ZINC000261378528 131151152 /nfs/dbraw/zinc/15/11/52/131151152.db2.gz AMGVYCHISKPNHP-ZIAGYGMSSA-N 0 3 292.448 2.993 20 30 CFEDHN CCc1ccc([C@H](CNc2nccnc2C#N)N(C)C)cc1 ZINC000263907210 131357853 /nfs/dbraw/zinc/35/78/53/131357853.db2.gz RCGIKBAKRWPEKU-INIZCTEOSA-N 0 3 295.390 2.625 20 30 CFEDHN C=CCN1CCC(NC(=O)C=C2CCC(C)CC2)CC1 ZINC000265270946 131570710 /nfs/dbraw/zinc/57/07/10/131570710.db2.gz LYNYEESTQHSLMO-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN COc1ccccc1[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000268599175 132033159 /nfs/dbraw/zinc/03/31/59/132033159.db2.gz HZPDPVCEMUHRAS-GUYCJALGSA-N 0 3 296.370 2.951 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000268658683 132044092 /nfs/dbraw/zinc/04/40/92/132044092.db2.gz LLSYEZLLCSIEGX-IRXDYDNUSA-N 0 3 281.359 2.757 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](CC)c1ccc(Cl)s1 ZINC000268821729 132072287 /nfs/dbraw/zinc/07/22/87/132072287.db2.gz POIUHCQWNDGIBS-JTQLQIEISA-N 0 3 284.812 2.582 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CCCC[C@H]1O ZINC000269409918 132166173 /nfs/dbraw/zinc/16/61/73/132166173.db2.gz ISJMQNFNEAIBQF-HZPDHXFCSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@H]1CCCCN1CCNCc1ccc(C#N)cc1F ZINC000269429592 132169658 /nfs/dbraw/zinc/16/96/58/132169658.db2.gz PBGVRGIAOWRVSP-ZDUSSCGKSA-N 0 3 275.371 2.661 20 30 CFEDHN C[C@@H](c1ccc(F)cc1)N(C)CCC(=O)N(C)CCC#N ZINC000179187998 393455726 /nfs/dbraw/zinc/45/57/26/393455726.db2.gz MGTVIUYZPWAGFB-ZDUSSCGKSA-N 0 3 291.370 2.581 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000179218937 393458780 /nfs/dbraw/zinc/45/87/80/393458780.db2.gz RFZQCBTZFNNCKI-UHFFFAOYSA-N 0 3 291.439 2.516 20 30 CFEDHN O[C@@]1(C2CC2)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000373909869 393475676 /nfs/dbraw/zinc/47/56/76/393475676.db2.gz MAWNMGHCOUXQRS-INIZCTEOSA-N 0 3 275.779 2.538 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCCNC2=O)CN1C1CC1 ZINC000329511268 393540553 /nfs/dbraw/zinc/54/05/53/393540553.db2.gz BZMOMYDLKJZMPR-AGIUHOORSA-N 0 3 293.411 2.715 20 30 CFEDHN CCC[C@@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305829519 393504143 /nfs/dbraw/zinc/50/41/43/393504143.db2.gz OGKHUPHAQJFYPN-GXFFZTMASA-N 0 3 250.317 2.509 20 30 CFEDHN COC[C@H](NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000183442069 393520218 /nfs/dbraw/zinc/52/02/18/393520218.db2.gz JIRBACDRQKNULO-HNNXBMFYSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCSCCNCc1cccc(OC)c1OC ZINC000222061377 413066417 /nfs/dbraw/zinc/06/64/17/413066417.db2.gz HXTYVFVXWFNMRJ-UHFFFAOYSA-N 0 3 267.394 2.713 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccoc1)C(C)C ZINC000046049056 393575275 /nfs/dbraw/zinc/57/52/75/393575275.db2.gz ZPIRCLGNEQELNO-OAHLLOKOSA-N 0 3 276.380 2.708 20 30 CFEDHN N#CC1(c2ccccn2)CCN(C[C@H]2CCSC2)CC1 ZINC000334213681 393580514 /nfs/dbraw/zinc/58/05/14/393580514.db2.gz GBPJSQSHGHZNOS-CQSZACIVSA-N 0 3 287.432 2.692 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000334286864 393590404 /nfs/dbraw/zinc/59/04/04/393590404.db2.gz XRTHCZDMDBQXHU-NEPJUHHUSA-N 0 3 256.349 2.902 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000334300542 393591470 /nfs/dbraw/zinc/59/14/70/393591470.db2.gz UVFBICLELAAJFA-HZMBPMFUSA-N 0 3 280.730 2.897 20 30 CFEDHN C#CCCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000192194989 393617179 /nfs/dbraw/zinc/61/71/79/393617179.db2.gz NHRQPIFLDGHTBD-INIZCTEOSA-N 0 3 282.387 2.801 20 30 CFEDHN Cc1cccc(C)c1NC(=O)CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000192603243 393628303 /nfs/dbraw/zinc/62/83/03/393628303.db2.gz WLBHQYVPZRMLPB-HUUCEWRRSA-N 0 3 285.391 2.914 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1ccccc1Cl ZINC000192947188 393638159 /nfs/dbraw/zinc/63/81/59/393638159.db2.gz CPQDZBATYVWUMZ-ZDUSSCGKSA-N 0 3 281.783 2.754 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411625875 393731566 /nfs/dbraw/zinc/73/15/66/393731566.db2.gz XSCXUTFMQVTWGK-LSDHHAIUSA-N 0 3 292.423 2.982 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(OC)cc1 ZINC000411641119 393733466 /nfs/dbraw/zinc/73/34/66/393733466.db2.gz LNUJULKIEDXNDY-UHFFFAOYSA-N 0 3 262.397 2.635 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000411714916 393741385 /nfs/dbraw/zinc/74/13/85/393741385.db2.gz AHRFWXPHOGMLEQ-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN N#CC1(CCN2CCC(F)(F)[C@H](CO)C2)CCCCC1 ZINC000411750415 393745076 /nfs/dbraw/zinc/74/50/76/393745076.db2.gz YXCIUOGYHNAXLK-ZDUSSCGKSA-N 0 3 286.366 2.800 20 30 CFEDHN CC(C#N)C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000335727444 393693790 /nfs/dbraw/zinc/69/37/90/393693790.db2.gz QXHYMBZSCAGXIC-JTQLQIEISA-N 0 3 287.750 2.797 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCCC[C@H]1C ZINC000077247122 393696760 /nfs/dbraw/zinc/69/67/60/393696760.db2.gz BSQTTYIQMHTTOQ-CYBMUJFWSA-N 0 3 274.364 2.820 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C)C1 ZINC000077247056 393697273 /nfs/dbraw/zinc/69/72/73/393697273.db2.gz IVHOMYDMKDZQIV-CYBMUJFWSA-N 0 3 274.364 2.678 20 30 CFEDHN CC(C#N)C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000335813785 393702128 /nfs/dbraw/zinc/70/21/28/393702128.db2.gz NWPMMHBTTFLQHL-OIKLOGQESA-N 0 3 274.286 2.918 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000078460098 393707795 /nfs/dbraw/zinc/70/77/95/393707795.db2.gz DVPJCJLPQKOKTC-MRXNPFEDSA-N 0 3 258.365 2.949 20 30 CFEDHN N#CC1(CCN(CCO)C2CCC2)CCCCC1 ZINC000411617374 393730843 /nfs/dbraw/zinc/73/08/43/393730843.db2.gz NLPZEWFAAQJECF-UHFFFAOYSA-N 0 3 250.386 2.697 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000412283831 393765811 /nfs/dbraw/zinc/76/58/11/393765811.db2.gz DRNYYBKYHMQILF-LJISPDSOSA-N 0 3 264.413 2.815 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN(C)CCC ZINC000412840594 393775019 /nfs/dbraw/zinc/77/50/19/393775019.db2.gz NSRPSZKZUQWZMJ-MRXNPFEDSA-N 0 3 274.408 2.632 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 ZINC000412972012 393776672 /nfs/dbraw/zinc/77/66/72/393776672.db2.gz SVXJQQJVTPIWQW-GHMZBOCLSA-N 0 3 287.338 2.524 20 30 CFEDHN C=C[C@H](C)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000413181457 393779719 /nfs/dbraw/zinc/77/97/19/393779719.db2.gz FKVZOLYRDQQLSZ-JTQLQIEISA-N 0 3 258.321 2.660 20 30 CFEDHN C[C@@H](C(=O)N(CC#N)C1CCCC1)N1[C@H](C)CC[C@@H]1C ZINC000413476734 393784475 /nfs/dbraw/zinc/78/44/75/393784475.db2.gz FMPHGVBHFHCHIA-MJBXVCDLSA-N 0 3 277.412 2.542 20 30 CFEDHN CC[C@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000413535604 393785264 /nfs/dbraw/zinc/78/52/64/393785264.db2.gz DWGLDAXWVBSGOZ-BRWVUGGUSA-N 0 3 299.418 2.625 20 30 CFEDHN CCc1nc2cc(CNC(=O)C(C)C#N)ccc2n1C1CC1 ZINC000338683124 393795031 /nfs/dbraw/zinc/79/50/31/393795031.db2.gz GFNMWPFLZVZLDN-NSHDSACASA-N 0 3 296.374 2.709 20 30 CFEDHN C=CCOCCN(C)CCOc1ccc(Cl)cc1 ZINC000338906998 393804324 /nfs/dbraw/zinc/80/43/24/393804324.db2.gz STKTZVUZLHIGPJ-UHFFFAOYSA-N 0 3 269.772 2.853 20 30 CFEDHN C=CCOCCN1CC=C(c2cccc(OC)c2)CC1 ZINC000338941452 393805349 /nfs/dbraw/zinc/80/53/49/393805349.db2.gz IFRAMZGQPGRRQY-UHFFFAOYSA-N 0 3 273.376 2.987 20 30 CFEDHN COc1c(C)cc(CN(C)CCOCCC#N)cc1C ZINC000338956000 393807219 /nfs/dbraw/zinc/80/72/19/393807219.db2.gz WMFXQFDZEPWEIL-UHFFFAOYSA-N 0 3 276.380 2.674 20 30 CFEDHN CCCCOC1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339009582 393810060 /nfs/dbraw/zinc/81/00/60/393810060.db2.gz LUGNNVWRSVCJGH-ZIAGYGMSSA-N 0 3 250.386 2.960 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(Oc3ccccn3)CC2)C1 ZINC000339037660 393812138 /nfs/dbraw/zinc/81/21/38/393812138.db2.gz PHTBDVRSZQUUAH-KGLIPLIRSA-N 0 3 271.364 2.617 20 30 CFEDHN C=CCOCCN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000339046041 393812497 /nfs/dbraw/zinc/81/24/97/393812497.db2.gz UXUZNABRLDDRDW-XJKSGUPXSA-N 0 3 261.365 2.513 20 30 CFEDHN CC(C)(NCCOCCC#N)c1cccc(F)c1 ZINC000339073741 393816845 /nfs/dbraw/zinc/81/68/45/393816845.db2.gz MCQGMWHQXWXJNY-UHFFFAOYSA-N 0 3 250.317 2.581 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000339093708 393817518 /nfs/dbraw/zinc/81/75/18/393817518.db2.gz DHAZGXDBHLVKQF-UKPHBRMFSA-N 0 3 268.360 2.810 20 30 CFEDHN CC[C@H]1CN(c2ccccc2)CCN1CCOCCC#N ZINC000339095966 393818506 /nfs/dbraw/zinc/81/85/06/393818506.db2.gz RAOBSXHHHZFBBM-INIZCTEOSA-N 0 3 287.407 2.517 20 30 CFEDHN COCCO[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245744921 393826192 /nfs/dbraw/zinc/82/61/92/393826192.db2.gz AAWSQIMLEDSWLB-RHSMWYFYSA-N 0 3 288.391 2.747 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000342846085 393871702 /nfs/dbraw/zinc/87/17/02/393871702.db2.gz ICRJFEINIDWEAG-HUUCEWRRSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC1CCN(CC)CC1 ZINC000343005278 393877825 /nfs/dbraw/zinc/87/78/25/393877825.db2.gz UFXJIIIPKXAOCQ-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)cc1 ZINC000343389769 393884788 /nfs/dbraw/zinc/88/47/88/393884788.db2.gz LQHOVRITEVYPFD-IAGOWNOFSA-N 0 3 279.343 2.573 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000343505356 393886556 /nfs/dbraw/zinc/88/65/56/393886556.db2.gz MVGVKNDIQORMTE-XJKSGUPXSA-N 0 3 285.391 2.610 20 30 CFEDHN C=CCC[C@@H](NC[C@]1(CCO)CCOC1)c1ccco1 ZINC000428464550 393897432 /nfs/dbraw/zinc/89/74/32/393897432.db2.gz XRWCWNNSXXCXRZ-ZBFHGGJFSA-N 0 3 279.380 2.666 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344697594 393902020 /nfs/dbraw/zinc/90/20/20/393902020.db2.gz LNOOYJVLQQGFQM-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000684630287 542840256 /nfs/dbraw/zinc/84/02/56/542840256.db2.gz INLHRUIVWLWFNR-CVEARBPZSA-N 0 3 263.356 2.726 20 30 CFEDHN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(C)C#N ZINC000346253926 393924380 /nfs/dbraw/zinc/92/43/80/393924380.db2.gz OESZDZKXEMUDPW-ZFWWWQNUSA-N 0 3 258.365 2.934 20 30 CFEDHN C=CCN(CCn1ccnc1C)Cc1cccs1 ZINC000346251778 393924647 /nfs/dbraw/zinc/92/46/47/393924647.db2.gz ZJSWGHKGEOMYMZ-UHFFFAOYSA-N 0 3 261.394 2.941 20 30 CFEDHN Cc1ccc(C)c([C@@H]2CN(C(=O)C(C)C#N)[C@H](C)CO2)c1 ZINC000346327620 393926355 /nfs/dbraw/zinc/92/63/55/393926355.db2.gz JKOLDJZLWDITEF-FMKPAKJESA-N 0 3 286.375 2.752 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000346337476 393927460 /nfs/dbraw/zinc/92/74/60/393927460.db2.gz MMVCNPZSZMZUHA-FRRDWIJNSA-N 0 3 266.385 2.588 20 30 CFEDHN CCC[C@@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000120886066 393942853 /nfs/dbraw/zinc/94/28/53/393942853.db2.gz ZFLLGPLNPXXNFY-LSDHHAIUSA-N 0 3 279.428 2.507 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](C)C1 ZINC000347578467 393942971 /nfs/dbraw/zinc/94/29/71/393942971.db2.gz HRJNKOCXFODFMH-ILXRZTDVSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346195586 393922628 /nfs/dbraw/zinc/92/26/28/393922628.db2.gz QEVPERGCLBSKGB-YQQAZPJKSA-N 0 3 290.451 2.944 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000435725252 394018902 /nfs/dbraw/zinc/01/89/02/394018902.db2.gz GAJFDEFLLRQYDS-SWLSCSKDSA-N 0 3 294.326 2.805 20 30 CFEDHN CCCN(CCN1CCCC1)c1ccc(C#N)c(C)n1 ZINC000487746918 394022254 /nfs/dbraw/zinc/02/22/54/394022254.db2.gz DRCNTIIMQVYLFC-UHFFFAOYSA-N 0 3 272.396 2.574 20 30 CFEDHN C=CCOc1cccc(CN(C)C2CC(OC)C2)c1 ZINC000348715116 393957215 /nfs/dbraw/zinc/95/72/15/393957215.db2.gz OLBICOCHTUDJMD-UHFFFAOYSA-N 0 3 261.365 2.861 20 30 CFEDHN C=CCc1cc(CN(C)C2CC(OC)C2)cc(OC)c1O ZINC000348710863 393957386 /nfs/dbraw/zinc/95/73/86/393957386.db2.gz DWAVWGQRGYOZCR-UHFFFAOYSA-N 0 3 291.391 2.739 20 30 CFEDHN C=CCOc1cccc(CN(C)[C@@H]2CCCOC2)c1 ZINC000348713498 393957797 /nfs/dbraw/zinc/95/77/97/393957797.db2.gz LACPDNCVHGVGTQ-OAHLLOKOSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@H]1C[C@H]1N1CCN(Cc2ccc(C#N)s2)C[C@@H](C)C1 ZINC000430145659 393961654 /nfs/dbraw/zinc/96/16/54/393961654.db2.gz GSFLIDMBYVZVGM-DVOMOZLQSA-N 0 3 289.448 2.782 20 30 CFEDHN COC(=O)[C@H]1CCN(Cc2ccc(C#N)s2)[C@H]1C(C)C ZINC000430149857 393962753 /nfs/dbraw/zinc/96/27/53/393962753.db2.gz XRTCZRHZKHPOGO-KBPBESRZSA-N 0 3 292.404 2.639 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000122507516 393969796 /nfs/dbraw/zinc/96/97/96/393969796.db2.gz VYMUALCTMGBZLO-JKIFEVAISA-N 0 3 297.402 2.641 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1=CCCC1)C(C)C ZINC000349655009 393971965 /nfs/dbraw/zinc/97/19/65/393971965.db2.gz LHGCRQHWIIUBQZ-MRXNPFEDSA-N 0 3 276.424 2.912 20 30 CFEDHN C[C@H]1CCCCN1CCNc1c(C#N)nnc2ccccc21 ZINC000265871483 393977578 /nfs/dbraw/zinc/97/75/78/393977578.db2.gz JBKXJUSUMZOYGB-ZDUSSCGKSA-N 0 3 295.390 2.788 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@H](SCC)C1 ZINC000350948384 393980097 /nfs/dbraw/zinc/98/00/97/393980097.db2.gz HYCIXIIVUPAOBB-HNNXBMFYSA-N 0 3 296.480 2.795 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCC(C)CC1 ZINC000123526372 393982611 /nfs/dbraw/zinc/98/26/11/393982611.db2.gz YOVZAZAYHHLZCA-UHFFFAOYSA-N 0 3 264.413 2.603 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)CC1(O)CCCC1 ZINC000487496573 394006529 /nfs/dbraw/zinc/00/65/29/394006529.db2.gz YNSVMLZYQAKQMR-UHFFFAOYSA-N 0 3 270.376 2.851 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc([S@@](C)=O)cc1 ZINC000430753172 394006697 /nfs/dbraw/zinc/00/66/97/394006697.db2.gz JJTWNFFUJFOTPW-CWTRNNRKSA-N 0 3 276.405 2.768 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc([S@@](C)=O)cc1 ZINC000430753173 394006818 /nfs/dbraw/zinc/00/68/18/394006818.db2.gz JJTWNFFUJFOTPW-HXPMCKFVSA-N 0 3 276.405 2.768 20 30 CFEDHN C[C@H](CC(=O)N(C)c1ccccc1)NCC1(CC#N)CC1 ZINC000430754343 394007007 /nfs/dbraw/zinc/00/70/07/394007007.db2.gz MBEMSDRBCDZYIZ-CQSZACIVSA-N 0 3 285.391 2.711 20 30 CFEDHN C=C(C)CCN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000352399775 394013624 /nfs/dbraw/zinc/01/36/24/394013624.db2.gz BGRLCQBZBRNDSD-ILXRZTDVSA-N 0 3 253.386 2.611 20 30 CFEDHN C[C@H]1C[C@@H]1N1CCN(c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000488719424 394038681 /nfs/dbraw/zinc/03/86/81/394038681.db2.gz YERCDNDOWWPFMB-IGCXYCKISA-N 0 3 287.382 2.864 20 30 CFEDHN N#CC(C(=O)c1cccc(Cl)c1)c1ccncn1 ZINC000354463492 394047129 /nfs/dbraw/zinc/04/71/29/394047129.db2.gz IQFQMJXZLSWZJT-NSHDSACASA-N 0 3 257.680 2.620 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000491338671 394048754 /nfs/dbraw/zinc/04/87/54/394048754.db2.gz KLMRSKONZPRNOK-YQQAZPJKSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000355398092 394064588 /nfs/dbraw/zinc/06/45/88/394064588.db2.gz DZUZQOQMBIADFD-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)CC(C)(C)C ZINC000355412819 394064834 /nfs/dbraw/zinc/06/48/34/394064834.db2.gz UFGDQRORBIZEQK-OKILXGFUSA-N 0 3 279.428 2.648 20 30 CFEDHN COC1(CNCc2cc(C#N)n(C)c2)CCC(C)CC1 ZINC000279620341 394067623 /nfs/dbraw/zinc/06/76/23/394067623.db2.gz ASYWSKMELVKGDU-UHFFFAOYSA-N 0 3 275.396 2.582 20 30 CFEDHN C=CCCC1(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000356201907 394075540 /nfs/dbraw/zinc/07/55/40/394075540.db2.gz IZMKCPHEGJDKPN-ZIAGYGMSSA-N 0 3 264.413 2.674 20 30 CFEDHN CC(C)N1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1 ZINC000281158425 394075752 /nfs/dbraw/zinc/07/57/52/394075752.db2.gz LCSLZYWFRPKGQT-MRVPVSSYSA-N 0 3 270.789 2.563 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2)C2CCC2)C1=O ZINC000281898914 394090577 /nfs/dbraw/zinc/09/05/77/394090577.db2.gz FKZGUPWSJKOADY-SJORKVTESA-N 0 3 284.403 2.904 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1ccc(C#N)c(C)n1)C(C)C ZINC000487909728 394030341 /nfs/dbraw/zinc/03/03/41/394030341.db2.gz NKYNQCWDJYDPFF-QGZVFWFLSA-N 0 3 298.434 2.794 20 30 CFEDHN Cc1cc(CN2CCCC[C@@H]2CCO)ccc1C#N ZINC000487913836 394030450 /nfs/dbraw/zinc/03/04/50/394030450.db2.gz NVMRHEPNXAZQKG-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN Cc1ccc2ncc(C#N)c(NCCN3CCCCC3)c2c1 ZINC000487930408 394031096 /nfs/dbraw/zinc/03/10/96/394031096.db2.gz FRTGDUSIZYNHPZ-UHFFFAOYSA-N 0 3 294.402 2.735 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccc(C)c2)C1=O ZINC000281990109 394106372 /nfs/dbraw/zinc/10/63/72/394106372.db2.gz MTXUHUOXBWGHNV-IAGOWNOFSA-N 0 3 284.403 2.919 20 30 CFEDHN C=CCN1CC[C@@H](NC(C)(C)c2cccc(C)c2)C1=O ZINC000282057570 394116860 /nfs/dbraw/zinc/11/68/60/394116860.db2.gz RYCNWZKZWAFGNK-OAHLLOKOSA-N 0 3 272.392 2.607 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000359235112 394128114 /nfs/dbraw/zinc/12/81/14/394128114.db2.gz YVYQEYWIQFUQOG-QLFBSQMISA-N 0 3 281.444 2.903 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493025435 394128629 /nfs/dbraw/zinc/12/86/29/394128629.db2.gz OXROXPTZFVRXND-JJEJIETFSA-N 0 3 297.402 2.560 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000359452601 394135005 /nfs/dbraw/zinc/13/50/05/394135005.db2.gz AWXXSNNMGIPCKO-GFCCVEGCSA-N 0 3 286.366 2.579 20 30 CFEDHN CC(C#N)C(=O)N(Cc1c(F)cccc1F)C1CC1 ZINC000360306948 394146976 /nfs/dbraw/zinc/14/69/76/394146976.db2.gz BBHRLENRVCGRIK-SECBINFHSA-N 0 3 264.275 2.615 20 30 CFEDHN C=CCOCCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000360640563 394156752 /nfs/dbraw/zinc/15/67/52/394156752.db2.gz ZAXLUVRYKPIVGH-UHFFFAOYSA-N 0 3 275.327 2.508 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](CCO)CC2)cc1F ZINC000421015193 394157351 /nfs/dbraw/zinc/15/73/51/394157351.db2.gz LIUYJUWPEUUYAB-ZDUSSCGKSA-N 0 3 276.355 2.682 20 30 CFEDHN CC(C)(C#N)CCCN1CCCC[C@H]1C(=O)N1CCCC1 ZINC000360851430 394160648 /nfs/dbraw/zinc/16/06/48/394160648.db2.gz QRRAPTJPPXUVAL-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CCN1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000361016522 394162785 /nfs/dbraw/zinc/16/27/85/394162785.db2.gz IUDFKFONMLWNGI-UHFFFAOYSA-N 0 3 292.386 2.591 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000361153862 394166814 /nfs/dbraw/zinc/16/68/14/394166814.db2.gz KSJMHUCAHQLQSO-HUUCEWRRSA-N 0 3 274.408 2.776 20 30 CFEDHN CC[C@@H](C)N(CC#Cc1ccc(Cl)cc1)CCO ZINC000287293176 394204269 /nfs/dbraw/zinc/20/42/69/394204269.db2.gz IPQZPJOFYOSFSV-CYBMUJFWSA-N 0 3 265.784 2.784 20 30 CFEDHN CC[C@@H](C)[C@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000421368961 394204947 /nfs/dbraw/zinc/20/49/47/394204947.db2.gz VGWGMHKSCXJPHC-IAQYHMDHSA-N 0 3 264.344 2.584 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000421373154 394207431 /nfs/dbraw/zinc/20/74/31/394207431.db2.gz ZLALYNLTYWQKIB-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN CC(=O)N[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135130375 394211242 /nfs/dbraw/zinc/21/12/42/394211242.db2.gz RZAMMUCSSSVBTO-MRXNPFEDSA-N 0 3 299.418 2.588 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CC23CCSCC3)o1 ZINC000421381093 394211860 /nfs/dbraw/zinc/21/18/60/394211860.db2.gz MJDQOQQLWBCTDC-NSHDSACASA-N 0 3 262.378 2.774 20 30 CFEDHN CC[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000449124350 394220803 /nfs/dbraw/zinc/22/08/03/394220803.db2.gz GJFMOFYNTZADPR-UONOGXRCSA-N 0 3 262.328 2.745 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@]23CCOC3)cc1 ZINC000367047307 394250608 /nfs/dbraw/zinc/25/06/08/394250608.db2.gz HPHCBXNNWBHANM-GOSISDBHSA-N 0 3 285.387 2.844 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)c(OC)c1)OC ZINC000291646669 394252396 /nfs/dbraw/zinc/25/23/96/394252396.db2.gz CEAFNZNHEWRZIX-UHFFFAOYSA-N 0 3 276.380 2.862 20 30 CFEDHN COC(=O)c1ccoc1CC1CCN(CCCC#N)CC1 ZINC000367335135 394253428 /nfs/dbraw/zinc/25/34/28/394253428.db2.gz VJIZNAYQQCYTAQ-UHFFFAOYSA-N 0 3 290.363 2.624 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000286051730 394184721 /nfs/dbraw/zinc/18/47/21/394184721.db2.gz KELZHPSOLJEUCV-CYBMUJFWSA-N 0 3 279.380 2.865 20 30 CFEDHN CN(C)[C@@H](CNc1cc(C#N)ccn1)c1ccsc1 ZINC000286097296 394191906 /nfs/dbraw/zinc/19/19/06/394191906.db2.gz KUFOKABVYXPBDZ-ZDUSSCGKSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCC[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccco1 ZINC000286107024 394192629 /nfs/dbraw/zinc/19/26/29/394192629.db2.gz MWRNAHXVPYLGEG-CYBMUJFWSA-N 0 3 297.420 2.701 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc(Cl)c(C#N)s1 ZINC000286215605 394194521 /nfs/dbraw/zinc/19/45/21/394194521.db2.gz CTMAKNUDRPOOIX-ZJUUUORDSA-N 0 3 296.827 2.731 20 30 CFEDHN CC(C)CN1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000363411664 394195896 /nfs/dbraw/zinc/19/58/96/394195896.db2.gz QNWCCBQPJMBOEK-UHFFFAOYSA-N 0 3 292.814 2.775 20 30 CFEDHN N#CCCCOc1cccc(CNCC2=CCOCC2)c1 ZINC000449400645 394276183 /nfs/dbraw/zinc/27/61/83/394276183.db2.gz CLIYYFMVDWOPHI-UHFFFAOYSA-N 0 3 286.375 2.805 20 30 CFEDHN C=CCc1cc(CN[C@@H]2CCO[C@H]2C=C)cc(OC)c1O ZINC000449518409 394279895 /nfs/dbraw/zinc/27/98/95/394279895.db2.gz JNZRNRUNKDBHTC-CABCVRRESA-N 0 3 289.375 2.562 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C\c1ccc(F)cc1F ZINC000449518748 394280788 /nfs/dbraw/zinc/28/07/88/394280788.db2.gz KUUBZWOXUHHCHW-OVNWPICBSA-N 0 3 265.303 2.911 20 30 CFEDHN C=CCC1(CNCc2ccnc(N(C)C)n2)CCCC1 ZINC000449604883 394282469 /nfs/dbraw/zinc/28/24/69/394282469.db2.gz LTXOFKLBZNDFIY-UHFFFAOYSA-N 0 3 274.412 2.769 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154842173 394303154 /nfs/dbraw/zinc/30/31/54/394303154.db2.gz DWRKUOIKEGZAER-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000372158032 394307472 /nfs/dbraw/zinc/30/74/72/394307472.db2.gz SKRJPCBOVZQIIA-CVEARBPZSA-N 0 3 273.351 2.536 20 30 CFEDHN C=CCCCCNC(=O)N1CCCN(CC(C)C)CC1 ZINC000372153685 394307604 /nfs/dbraw/zinc/30/76/04/394307604.db2.gz YIHUNQQYNMRFSE-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296418150 394309353 /nfs/dbraw/zinc/30/93/53/394309353.db2.gz LGGRXWZQYDIWCW-ZQIUZPCESA-N 0 3 273.376 2.950 20 30 CFEDHN C[C@H](NC[C@H](O)C1CCC1)c1ccc(C#N)cc1F ZINC000453365090 394390912 /nfs/dbraw/zinc/39/09/12/394390912.db2.gz CQYYVBCWIRLSCC-BONVTDFDSA-N 0 3 262.328 2.509 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCC#Cc2ccccc2)C1(C)C ZINC000451507341 394376571 /nfs/dbraw/zinc/37/65/71/394376571.db2.gz WTDFBVKFUMNWFD-CWRNSKLLSA-N 0 3 257.377 2.687 20 30 CFEDHN N#Cc1ccncc1NC[C@H]1CCN1C1CCCCC1 ZINC000528119996 394393864 /nfs/dbraw/zinc/39/38/64/394393864.db2.gz YMLPGHPCUVHHDP-OAHLLOKOSA-N 0 3 270.380 2.772 20 30 CFEDHN C[C@@H](CC(C)(C)O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453320474 394385370 /nfs/dbraw/zinc/38/53/70/394385370.db2.gz NGRUGTGENKAIDJ-QWRGUYRKSA-N 0 3 264.344 2.897 20 30 CFEDHN CCC(CC)c1cc(CNC(=N)Nc2ccccn2)on1 ZINC000178584396 394389510 /nfs/dbraw/zinc/38/95/10/394389510.db2.gz GBNJUQRXHTXIDE-UHFFFAOYSA-N 0 3 287.367 2.900 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000279923516 542890495 /nfs/dbraw/zinc/89/04/95/542890495.db2.gz AGNXRLXJTBMNJI-OAHLLOKOSA-N 0 3 291.391 2.873 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000685055694 542891308 /nfs/dbraw/zinc/89/13/08/542891308.db2.gz JMMHJTPMGYPIFP-CRAIPNDOSA-N 0 3 289.394 2.855 20 30 CFEDHN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000453419914 394401197 /nfs/dbraw/zinc/40/11/97/394401197.db2.gz XEJNVEDMRXOREV-JTNHKYCSSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@@H](NCC(C)(C)C(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000528015403 394439374 /nfs/dbraw/zinc/43/93/74/394439374.db2.gz LQDZXESKMXYBFS-CQSZACIVSA-N 0 3 299.418 2.857 20 30 CFEDHN CC(C)N(Cc1cnc2ccc(C#N)cn12)CC1CC1 ZINC000536640211 394565047 /nfs/dbraw/zinc/56/50/47/394565047.db2.gz GBBGGZILUWBPJW-UHFFFAOYSA-N 0 3 268.364 2.826 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000685599551 542933011 /nfs/dbraw/zinc/93/30/11/542933011.db2.gz OCWDZUNUCMHBIQ-SJORKVTESA-N 0 3 287.403 2.607 20 30 CFEDHN CCOC(=O)C1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000541553979 394675832 /nfs/dbraw/zinc/67/58/32/394675832.db2.gz UGBVIBBINOSAIE-UHFFFAOYSA-N 0 3 290.338 2.520 20 30 CFEDHN N#Cc1ccc(N2CCC[C@H](NC3(C4CC4)CC3)C2=O)cc1 ZINC000542521551 394706162 /nfs/dbraw/zinc/70/61/62/394706162.db2.gz NRMBJPBOMIBUJR-INIZCTEOSA-N 0 3 295.386 2.586 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000555512126 394974538 /nfs/dbraw/zinc/97/45/38/394974538.db2.gz WJURDMIDEBYLAK-UHFFFAOYSA-N 0 3 293.370 2.801 20 30 CFEDHN C=CCOCCNCc1ccc2c(c1)OCCCCO2 ZINC000648509895 395177607 /nfs/dbraw/zinc/17/76/07/395177607.db2.gz ICKVUEXBQKLBSD-UHFFFAOYSA-N 0 3 277.364 2.530 20 30 CFEDHN C[C@@H]1C[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CO1 ZINC000647189389 395212308 /nfs/dbraw/zinc/21/23/08/395212308.db2.gz RORGQHUTLKJQIZ-BXUZGUMPSA-N 0 3 283.293 2.824 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)n1 ZINC000136398085 292044326 /nfs/dbraw/zinc/04/43/26/292044326.db2.gz UYGABBSWBDNUDD-ZMSDIMECSA-N 0 3 296.418 2.572 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCS[C@H](c2ccccc2)C1 ZINC000649316934 395472206 /nfs/dbraw/zinc/47/22/06/395472206.db2.gz AYCXVXSZDCHJFD-CABCVRRESA-N 0 3 263.406 2.714 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(N(C)c2ccccc2)CC1 ZINC000649339440 395475394 /nfs/dbraw/zinc/47/53/94/395475394.db2.gz BUMHHVGPDLCJGM-KRWDZBQOSA-N 0 3 274.408 2.524 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000649406460 395487572 /nfs/dbraw/zinc/48/75/72/395487572.db2.gz SGAFPPNATHWFLX-KRWDZBQOSA-N 0 3 293.382 2.744 20 30 CFEDHN CC#CCCN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000649779336 395570359 /nfs/dbraw/zinc/57/03/59/395570359.db2.gz LHTCGXZSJBOUNS-DZGCQCFKSA-N 0 3 287.407 2.861 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@]2(CC2(F)F)C1 ZINC000649901558 395587653 /nfs/dbraw/zinc/58/76/53/395587653.db2.gz OLMBIDWJQXIYCF-TZMCWYRMSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCOCCNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000380047477 543070057 /nfs/dbraw/zinc/07/00/57/543070057.db2.gz POXNXAMNPZKQIF-UHFFFAOYSA-N 0 3 297.782 2.794 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OC)cc1F ZINC000381010139 543081861 /nfs/dbraw/zinc/08/18/61/543081861.db2.gz QZMMAGITYVCGHO-LLVKDONJSA-N 0 3 253.317 2.688 20 30 CFEDHN C=CCCNCc1cc(O)ccc1Br ZINC000315228132 413099386 /nfs/dbraw/zinc/09/93/86/413099386.db2.gz JHAGQQQQQOGHDR-UHFFFAOYSA-N 0 3 256.143 2.820 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1ccc(C)cc1C ZINC000046342205 397581237 /nfs/dbraw/zinc/58/12/37/397581237.db2.gz QIPCMPOYMAEDMD-INIZCTEOSA-N 0 3 277.408 2.941 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1c(C)cccc1C ZINC000046342186 397581337 /nfs/dbraw/zinc/58/13/37/397581337.db2.gz ZIVGTYYWURTHKB-INIZCTEOSA-N 0 3 277.408 2.941 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)CCCCC1 ZINC000650511686 397817652 /nfs/dbraw/zinc/81/76/52/397817652.db2.gz DQALUFJNZVCFSA-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(-n2cccn2)cc1 ZINC000411634723 413234691 /nfs/dbraw/zinc/23/46/91/413234691.db2.gz AQDIPDBAOIPBOV-UHFFFAOYSA-N 0 3 298.434 2.812 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2cc(C#N)cs2)C1 ZINC000356373458 155243654 /nfs/dbraw/zinc/24/36/54/155243654.db2.gz VRZUXSPNIXUYEJ-DGCLKSJQSA-N 0 3 264.394 2.603 20 30 CFEDHN COc1cc(CN[C@H](C)[C@@H]2CCCCO2)ccc1C#N ZINC000356740235 155347303 /nfs/dbraw/zinc/34/73/03/155347303.db2.gz YTPKCIOZAJUAPY-DOMZBBRYSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CCC[C@H](C)C1 ZINC000660395974 413285694 /nfs/dbraw/zinc/28/56/94/413285694.db2.gz NLQAUPGXQQQUDA-CWRNSKLLSA-N 0 3 291.439 2.611 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000343107425 154115705 /nfs/dbraw/zinc/11/57/05/154115705.db2.gz RAIKXMZHRIHAFO-HNNXBMFYSA-N 0 3 299.443 2.882 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)N1CCCC[C@H]1C ZINC000343275328 154164149 /nfs/dbraw/zinc/16/41/49/154164149.db2.gz HMXNZUUVUZMXON-CHWSQXEVSA-N 0 3 277.437 2.972 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000345694354 154241710 /nfs/dbraw/zinc/24/17/10/154241710.db2.gz AQNUZLPPYLJHBR-OASPWFOLSA-N 0 3 264.394 2.769 20 30 CFEDHN CC(C)[C@H](O)C1(CNCc2cc(C#N)cs2)CC1 ZINC000345713775 154248626 /nfs/dbraw/zinc/24/86/26/154248626.db2.gz UMBQDHLKKHOOES-ZDUSSCGKSA-N 0 3 264.394 2.506 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1F)[C@@H]1CCCOC1 ZINC000348138646 154336990 /nfs/dbraw/zinc/33/69/90/154336990.db2.gz FZZSBDQAPDVBHK-SMDDNHRTSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H](NC[C@H](CO)c1cccnc1)c1ccc(C#N)cc1F ZINC000348207297 154363022 /nfs/dbraw/zinc/36/30/22/154363022.db2.gz OSURWOMLVOCMPN-SWLSCSKDSA-N 0 3 299.349 2.519 20 30 CFEDHN CN(C[C@H]1CCCN(C)C1)c1cc(C#N)c2ccccc2n1 ZINC000355740688 155073138 /nfs/dbraw/zinc/07/31/38/155073138.db2.gz DQMSUBLUXSFZGM-AWEZNQCLSA-N 0 3 294.402 2.884 20 30 CFEDHN N#Cc1ccc(CNCCc2cc(F)c(F)c(F)c2)o1 ZINC000355764635 155079446 /nfs/dbraw/zinc/07/94/46/155079446.db2.gz HRDKIVJWRFBCPN-UHFFFAOYSA-N 0 3 280.249 2.901 20 30 CFEDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(Cl)cc1C#N ZINC000360135282 156029753 /nfs/dbraw/zinc/02/97/53/156029753.db2.gz ZNAYIECVAMISRC-NWDGAFQWSA-N 0 3 277.799 2.736 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)c(F)c2)CCO[C@H]1C1CC1 ZINC000365259771 156228143 /nfs/dbraw/zinc/22/81/43/156228143.db2.gz RCSYNPGKQDVGJE-JKSUJKDBSA-N 0 3 274.339 2.745 20 30 CFEDHN COc1cc(CN2CC[C@H]3OCCC[C@@H]3C2)ccc1C#N ZINC000374206044 157082207 /nfs/dbraw/zinc/08/22/07/157082207.db2.gz QSQZFJPYLKTRKH-HZPDHXFCSA-N 0 3 286.375 2.568 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000374229827 157084497 /nfs/dbraw/zinc/08/44/97/157084497.db2.gz MCFCAAOPMFWJSK-HNNXBMFYSA-N 0 3 288.391 2.815 20 30 CFEDHN C=CCCn1cc(CNC2[C@H](C)CCC[C@H]2C)nn1 ZINC000653599333 413397359 /nfs/dbraw/zinc/39/73/59/413397359.db2.gz JCKSBBMSSRHOPG-CHWSQXEVSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCCCCN[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660599701 413424604 /nfs/dbraw/zinc/42/46/04/413424604.db2.gz LXQRCIZUFBHSND-MRXNPFEDSA-N 0 3 291.439 2.960 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C(C)C)C2CC2)CC1 ZINC000660596993 413422840 /nfs/dbraw/zinc/42/28/40/413422840.db2.gz KTDROUKDFQUZMI-INIZCTEOSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1nc(C)c[nH]1)C(C)C ZINC000657307600 413426077 /nfs/dbraw/zinc/42/60/77/413426077.db2.gz QFGKLDROBRMAJP-OAHLLOKOSA-N 0 3 276.428 2.506 20 30 CFEDHN Cc1cc(CN[C@H]2CCO[C@H]2c2cccnc2)ccc1C#N ZINC000343397415 161755659 /nfs/dbraw/zinc/75/56/59/161755659.db2.gz WLSPWRYRSQJOEC-ROUUACIJSA-N 0 3 293.370 2.882 20 30 CFEDHN N#Cc1csc(CNC[C@@H](O)CCc2ccccc2)c1 ZINC000344357425 162021598 /nfs/dbraw/zinc/02/15/98/162021598.db2.gz YGWKHMYZCSAHPC-HNNXBMFYSA-N 0 3 286.400 2.703 20 30 CFEDHN CO[C@@H](C)CN(Cc1ccc(F)c(C#N)c1)C(C)C ZINC000344369402 162026302 /nfs/dbraw/zinc/02/63/02/162026302.db2.gz QEUHLTJUCSMJTM-LBPRGKRZSA-N 0 3 264.344 2.943 20 30 CFEDHN CCOc1cccc(CNCCOc2ccc(C#N)cc2)n1 ZINC000344572655 162070377 /nfs/dbraw/zinc/07/03/77/162070377.db2.gz BWWUOZXKWVOCNS-UHFFFAOYSA-N 0 3 297.358 2.521 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCc1cc(C#N)cs1 ZINC000344722557 162107588 /nfs/dbraw/zinc/10/75/88/162107588.db2.gz BWOVYQUUCGGKLR-UHFFFAOYSA-N 0 3 280.393 2.831 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1cc(C#N)cs1 ZINC000344773790 162120659 /nfs/dbraw/zinc/12/06/59/162120659.db2.gz MDQALSXKEJWGHM-UHFFFAOYSA-N 0 3 280.393 2.831 20 30 CFEDHN C=CCC1(NC(=O)NCCN(CC)C2CC2)CCCC1 ZINC000663920025 413440474 /nfs/dbraw/zinc/44/04/74/413440474.db2.gz KPDZWCTZVHBBGE-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C[C@@H](NCCn1cnnc1C1CC1)c1ccc(C#N)c(F)c1 ZINC000346132068 162324824 /nfs/dbraw/zinc/32/48/24/162324824.db2.gz OMHZUVBELIERFA-LLVKDONJSA-N 0 3 299.353 2.517 20 30 CFEDHN COc1cccc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346129005 162326769 /nfs/dbraw/zinc/32/67/69/162326769.db2.gz KTBIHGFTCXTQJG-LBPRGKRZSA-N 0 3 299.349 2.994 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1CCC[C@@H]1OC(F)F ZINC000348527719 162868132 /nfs/dbraw/zinc/86/81/32/162868132.db2.gz IJQLTXMLSLFPCI-STQMWFEESA-N 0 3 296.317 2.817 20 30 CFEDHN CC1CCC(CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000349853467 163026055 /nfs/dbraw/zinc/02/60/55/163026055.db2.gz KLOXWEYTJYEWMM-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN CC[C@@H](C)CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000350810357 163108550 /nfs/dbraw/zinc/10/85/50/163108550.db2.gz IHFRNHZOLAHDAZ-CYBMUJFWSA-N 0 3 275.371 2.865 20 30 CFEDHN C[C@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352835470 163248476 /nfs/dbraw/zinc/24/84/76/163248476.db2.gz PKBGAEARWQZTEM-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN Cc1ccsc1CCNCc1nc(C#N)cs1 ZINC000352836314 163248581 /nfs/dbraw/zinc/24/85/81/163248581.db2.gz KBMUANMOHCUQHR-UHFFFAOYSA-N 0 3 263.391 2.717 20 30 CFEDHN CCC[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352842262 163249467 /nfs/dbraw/zinc/24/94/67/163249467.db2.gz UTGDMNWNKKFOQR-LBPRGKRZSA-N 0 3 286.297 2.828 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000352863950 163254742 /nfs/dbraw/zinc/25/47/42/163254742.db2.gz XXTPOYBULHUCBF-CZUORRHYSA-N 0 3 299.399 2.882 20 30 CFEDHN COC(=O)CCN(Cc1cccc(C#N)c1F)CC(C)C ZINC000352871973 163257747 /nfs/dbraw/zinc/25/77/47/163257747.db2.gz WDRXVBBYFCXGNN-UHFFFAOYSA-N 0 3 292.354 2.718 20 30 CFEDHN CC(C)[C@@](C)(CO)NCc1ccc(C#N)cc1Cl ZINC000352884372 163263131 /nfs/dbraw/zinc/26/31/31/163263131.db2.gz RCGWJIRSDIRRKN-CQSZACIVSA-N 0 3 266.772 2.708 20 30 CFEDHN N#Cc1csc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000353237749 163323825 /nfs/dbraw/zinc/32/38/25/163323825.db2.gz DRSALARODNCYQY-SJORKVTESA-N 0 3 298.411 2.876 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284710091 196116327 /nfs/dbraw/zinc/11/63/27/196116327.db2.gz IZSKLJXHCFUUPS-HZPDHXFCSA-N 0 3 256.349 2.702 20 30 CFEDHN COc1cccc([C@@H](CNc2cc(C#N)ccn2)N(C)C)c1 ZINC000022242174 171382056 /nfs/dbraw/zinc/38/20/56/171382056.db2.gz KONKPILDGLFDGC-MRXNPFEDSA-N 0 3 296.374 2.677 20 30 CFEDHN N#Cc1cccc(OCCN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284879421 196150210 /nfs/dbraw/zinc/15/02/10/196150210.db2.gz SXIZUKVBZBURFU-IRXDYDNUSA-N 0 3 286.375 2.580 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H]1CCCN(C(C)C)C1=O ZINC000284972490 196167537 /nfs/dbraw/zinc/16/75/37/196167537.db2.gz CZUPMHYZLHKZOY-ZWKOTPCHSA-N 0 3 298.430 2.610 20 30 CFEDHN C=CCCn1cc(CN2CC[C@@H]3CCCC[C@@H]32)nn1 ZINC000653775313 413493892 /nfs/dbraw/zinc/49/38/92/413493892.db2.gz WFKYOCODNAXTRK-ZFWWWQNUSA-N 0 3 260.385 2.619 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCc3ccccc3C2)nn1 ZINC000657364339 413501648 /nfs/dbraw/zinc/50/16/48/413501648.db2.gz XQMKTVRWHIRNLZ-HNNXBMFYSA-N 0 3 296.418 2.749 20 30 CFEDHN C=CCC1(NC(=O)NC[C@@H](C)N(C)C2CC2)CCCC1 ZINC000664000164 413502951 /nfs/dbraw/zinc/50/29/51/413502951.db2.gz WDGRYFFAQKFDBD-CYBMUJFWSA-N 0 3 279.428 2.657 20 30 CFEDHN C=C(CC)CN1CCC(Oc2ncc(C)cn2)CC1 ZINC000653800602 413507044 /nfs/dbraw/zinc/50/70/44/413507044.db2.gz OINHLJCIHVHOPU-UHFFFAOYSA-N 0 3 261.369 2.594 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)C(C)(C)CC)CC1 ZINC000660704299 413509135 /nfs/dbraw/zinc/50/91/35/413509135.db2.gz BUFWYVOUWJEZSV-CYBMUJFWSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cccc(OC2CC2)c1F ZINC000657426472 413589016 /nfs/dbraw/zinc/58/90/16/413589016.db2.gz FTAYOMVIOCSWND-GFCCVEGCSA-N 0 3 279.355 2.641 20 30 CFEDHN C=CCCC1(CNC(=O)NC2CCN(C)CC2)CCCC1 ZINC000660820248 413591348 /nfs/dbraw/zinc/59/13/48/413591348.db2.gz CGCDRTBQQPLPPW-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CC)CC1 ZINC000660818960 413592916 /nfs/dbraw/zinc/59/29/16/413592916.db2.gz FOIUPWAKSMWAQC-GDBMZVCRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000660835046 413605085 /nfs/dbraw/zinc/60/50/85/413605085.db2.gz CQDRGPDGBZRZEJ-KFWWJZLASA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@@H](CO)NCc1cn(-c2cccc(C)c2)nc1C ZINC000651761320 413625040 /nfs/dbraw/zinc/62/50/40/413625040.db2.gz NSLHIJFVHPSMCI-INIZCTEOSA-N 0 3 285.391 2.516 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000657474186 413657144 /nfs/dbraw/zinc/65/71/44/413657144.db2.gz BHNDRJFFUJBTQT-RDJZCZTQSA-N 0 3 282.391 2.748 20 30 CFEDHN CO[C@H](C)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285411968 196276657 /nfs/dbraw/zinc/27/66/57/196276657.db2.gz FULNRCKGMBZZIA-GFCCVEGCSA-N 0 3 292.354 2.575 20 30 CFEDHN C=C(C)CCNCc1cc(F)c(OC)cc1OC ZINC000651821553 413665406 /nfs/dbraw/zinc/66/54/06/413665406.db2.gz QTGFFXDCUJTADX-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN C=CCOCCNCc1cn(-c2cccc(C)c2)nc1C ZINC000651758074 413617519 /nfs/dbraw/zinc/61/75/19/413617519.db2.gz NDEBPFPSOGUAHY-UHFFFAOYSA-N 0 3 285.391 2.781 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@@H](C)c2nnc3n2CCC3)C1 ZINC000651755487 413618478 /nfs/dbraw/zinc/61/84/78/413618478.db2.gz PXFWCJWXUUDIST-XQQFMLRXSA-N 0 3 260.385 2.620 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccnc(OC)n1 ZINC000657530224 413712465 /nfs/dbraw/zinc/71/24/65/413712465.db2.gz NRPMSXYWCJDHBH-OCCSQVGLSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nccnc1OC ZINC000657529298 413714732 /nfs/dbraw/zinc/71/47/32/413714732.db2.gz BRNJHNXORZGGCO-STQMWFEESA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661036901 413718526 /nfs/dbraw/zinc/71/85/26/413718526.db2.gz ZAOMRFUUCPGQQD-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN N#Cc1cc(N[C@H]2CCN(Cc3ccccc3)C2)ccn1 ZINC000285474530 196296692 /nfs/dbraw/zinc/29/66/92/196296692.db2.gz COYKZIZWEQYVPK-INIZCTEOSA-N 0 3 278.359 2.640 20 30 CFEDHN OC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000661154355 413787735 /nfs/dbraw/zinc/78/77/35/413787735.db2.gz LZLPYCPZFOKICU-OAHLLOKOSA-N 0 3 297.320 2.808 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](CO)CC1CC1 ZINC000657705132 413874348 /nfs/dbraw/zinc/87/43/48/413874348.db2.gz ILPYCVKVBYJNAT-OAHLLOKOSA-N 0 3 275.392 2.750 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000664630070 413876432 /nfs/dbraw/zinc/87/64/32/413876432.db2.gz PKXJTAAJNRFKPV-ZDUSSCGKSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCOCCCNCc1nc2cc(Cl)ccc2n1C ZINC000657658370 413826395 /nfs/dbraw/zinc/82/63/95/413826395.db2.gz UTAWHZAUGSKASA-UHFFFAOYSA-N 0 3 293.798 2.909 20 30 CFEDHN C=CCOCCCNCc1c(C2CC2)nc2sccn12 ZINC000657658254 413828169 /nfs/dbraw/zinc/82/81/69/413828169.db2.gz QKKOAFKUBBLXON-UHFFFAOYSA-N 0 3 291.420 2.956 20 30 CFEDHN C=CCN(CCc1ncc(C)cc1C)[C@@H](C)COC ZINC000661241015 413841689 /nfs/dbraw/zinc/84/16/89/413841689.db2.gz UZARSIOYLGMAPT-HNNXBMFYSA-N 0 3 262.397 2.764 20 30 CFEDHN C=CCN(Cc1cccc(COC)c1)[C@H](C)COC ZINC000661242475 413847252 /nfs/dbraw/zinc/84/72/52/413847252.db2.gz PLVSDNDWDAKACV-CQSZACIVSA-N 0 3 263.381 2.856 20 30 CFEDHN C=CCOc1ccccc1CNCC(O)(C1CC1)C1CC1 ZINC000657698168 413861443 /nfs/dbraw/zinc/86/14/43/413861443.db2.gz QNCUHRYYHPEMKS-UHFFFAOYSA-N 0 3 287.403 2.892 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000661376680 413935798 /nfs/dbraw/zinc/93/57/98/413935798.db2.gz FQDUGMHLTTUXGY-OAHLLOKOSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCCC[C@H]2C)C1 ZINC000661378869 413938108 /nfs/dbraw/zinc/93/81/08/413938108.db2.gz NLTMNNALPWUINW-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H]1CCC[N@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000661385728 413944306 /nfs/dbraw/zinc/94/43/06/413944306.db2.gz PIWLDHJVSCUFQU-GFCCVEGCSA-N 0 3 273.380 2.848 20 30 CFEDHN C=CC[C@@H]1CCC[N@@H+](Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000661385728 413944316 /nfs/dbraw/zinc/94/43/16/413944316.db2.gz PIWLDHJVSCUFQU-GFCCVEGCSA-N 0 3 273.380 2.848 20 30 CFEDHN C=CC[C@H]1CCCN(C[C@](C)(O)C(F)(F)F)C1 ZINC000661387336 413944966 /nfs/dbraw/zinc/94/49/66/413944966.db2.gz XYVYXKXRLGEFOP-QWRGUYRKSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCCCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654533712 413895651 /nfs/dbraw/zinc/89/56/51/413895651.db2.gz MRPREPWXHNIMCL-LSDHHAIUSA-N 0 3 279.428 2.659 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654724290 413979791 /nfs/dbraw/zinc/97/97/91/413979791.db2.gz BMSOROMSLGCVBT-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000664869222 413988104 /nfs/dbraw/zinc/98/81/04/413988104.db2.gz LUBVKTULLSZHQQ-GDBMZVCRSA-N 0 3 289.423 2.862 20 30 CFEDHN C=C(Cl)CN(C)CCCN(C)Cc1ccco1 ZINC000285640317 196352236 /nfs/dbraw/zinc/35/22/36/196352236.db2.gz LRWJINJYBWFXBT-UHFFFAOYSA-N 0 3 256.777 2.786 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](C3CCCCC3)C2)C1=O ZINC000661578324 414059737 /nfs/dbraw/zinc/05/97/37/414059737.db2.gz KRPKOSHLLOQRBR-CVEARBPZSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](CCF)C1 ZINC000661694819 414141695 /nfs/dbraw/zinc/14/16/95/414141695.db2.gz BMPRBWBUAYPXGZ-GJZGRUSLSA-N 0 3 284.419 2.871 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661705983 414161671 /nfs/dbraw/zinc/16/16/71/414161671.db2.gz HCHXALSBBMAZTQ-IAGOWNOFSA-N 0 3 275.392 2.596 20 30 CFEDHN C[C@@]12COC[C@@H]1CN(CC#Cc1cccc(Cl)c1)C2 ZINC000661698462 414144717 /nfs/dbraw/zinc/14/47/17/414144717.db2.gz GWCGKYFRVSEZCG-GOEBONIOSA-N 0 3 275.779 2.660 20 30 CFEDHN C[C@@]12COC[C@H]1CN(CC#Cc1ccc(Cl)cc1)C2 ZINC000661700400 414148737 /nfs/dbraw/zinc/14/87/37/414148737.db2.gz CPAQHNRCKOLNGF-GDBMZVCRSA-N 0 3 275.779 2.660 20 30 CFEDHN C=CCC[C@H](NC[C@@H](OC)[C@H]1CCOC1)c1ccco1 ZINC000658073749 414156458 /nfs/dbraw/zinc/15/64/58/414156458.db2.gz ZGURGVBXIIPFFO-OFQRWUPVSA-N 0 3 279.380 2.928 20 30 CFEDHN C=CCC[C@H](NC[C@@H](OC)[C@@H]1CCOC1)c1ccco1 ZINC000658073747 414157907 /nfs/dbraw/zinc/15/79/07/414157907.db2.gz ZGURGVBXIIPFFO-IJEWVQPXSA-N 0 3 279.380 2.928 20 30 CFEDHN C[C@@H](O)[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000661771017 414209617 /nfs/dbraw/zinc/20/96/17/414209617.db2.gz HDDQULBNTDDZBF-IUODEOHRSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CCCN[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000658115259 414215170 /nfs/dbraw/zinc/21/51/70/414215170.db2.gz ACSINPSSLSMNLD-HOTGVXAUSA-N 0 3 294.826 2.877 20 30 CFEDHN O[C@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C12CCC2 ZINC000661831259 414247995 /nfs/dbraw/zinc/24/79/95/414247995.db2.gz NBHBKYALYFJWJH-CABCVRRESA-N 0 3 275.779 2.585 20 30 CFEDHN C=CCC1(NCc2nc3ccc(OC)nc3[nH]2)CCCC1 ZINC000661851792 414259733 /nfs/dbraw/zinc/25/97/33/414259733.db2.gz FDZQAWUVCJOCEW-UHFFFAOYSA-N 0 3 286.379 2.945 20 30 CFEDHN C=C(C)[C@@H](CO)N(CCC)Cc1ccccc1F ZINC000661859925 414267553 /nfs/dbraw/zinc/26/75/53/414267553.db2.gz LJJOGCVOWDXWJR-OAHLLOKOSA-N 0 3 251.345 2.975 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000662033469 414367740 /nfs/dbraw/zinc/36/77/40/414367740.db2.gz IIVFOVKHHPNGSM-CABCVRRESA-N 0 3 275.779 2.660 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000662033473 414369341 /nfs/dbraw/zinc/36/93/41/414369341.db2.gz IIVFOVKHHPNGSM-HUUCEWRRSA-N 0 3 275.779 2.660 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC2(CCc3ccccc3O2)CC1 ZINC000662048714 414384418 /nfs/dbraw/zinc/38/44/18/414384418.db2.gz BLNNFDFVTJXTQE-MRXNPFEDSA-N 0 3 287.403 2.783 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000665394347 414323284 /nfs/dbraw/zinc/32/32/84/414323284.db2.gz JRZWXHSVYZFUHL-OAGGEKHMSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655756806 414412128 /nfs/dbraw/zinc/41/21/28/414412128.db2.gz YPYLNVGDWAROTP-MRXNPFEDSA-N 0 3 299.418 2.763 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H](C2CCCCC2)C1 ZINC000662203524 414456775 /nfs/dbraw/zinc/45/67/75/414456775.db2.gz XYWSYQGCPCXJSF-HNNXBMFYSA-N 0 3 264.413 2.581 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CCC(C)CC1 ZINC000662081751 414401424 /nfs/dbraw/zinc/40/14/24/414401424.db2.gz RSVZGAGKDSHFDQ-DVMLXDCBSA-N 0 3 276.424 2.864 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659267750 414485621 /nfs/dbraw/zinc/48/56/21/414485621.db2.gz PNKXLZLGFCZOCL-ZDUSSCGKSA-N 0 3 298.308 2.798 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H]2NCC2(C)C)CCCC1 ZINC000659334497 414502534 /nfs/dbraw/zinc/50/25/34/414502534.db2.gz LMFDLRBTTAAKPN-ZDUSSCGKSA-N 0 3 264.413 2.627 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCC[C@@H]1SCC ZINC000286001583 196467284 /nfs/dbraw/zinc/46/72/84/196467284.db2.gz GICVZQGCGPQYCH-ZNMIVQPWSA-N 0 3 296.480 2.839 20 30 CFEDHN C=CCCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000659513184 414528275 /nfs/dbraw/zinc/52/82/75/414528275.db2.gz UEOHRQHUOGDLEZ-HNNXBMFYSA-N 0 3 275.396 2.685 20 30 CFEDHN C=CCN(CCc1c[nH]nn1)Cc1ccc(Cl)s1 ZINC000659817452 414567591 /nfs/dbraw/zinc/56/75/91/414567591.db2.gz JHXSLXUJQJEKND-UHFFFAOYSA-N 0 3 282.800 2.750 20 30 CFEDHN C=C(C)[C@@H](CO)N(CCC)Cc1ccc(F)cc1 ZINC000662598563 414570913 /nfs/dbraw/zinc/57/09/13/414570913.db2.gz IFPNRHMJYUUIGY-OAHLLOKOSA-N 0 3 251.345 2.975 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000662631401 414581730 /nfs/dbraw/zinc/58/17/30/414581730.db2.gz SOCRQAPKGVCWJP-RHSMWYFYSA-N 0 3 284.403 2.688 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000662631493 414582162 /nfs/dbraw/zinc/58/21/62/414582162.db2.gz UUWAGJULFJLUAF-GOEBONIOSA-N 0 3 272.392 2.891 20 30 CFEDHN C=C(Br)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676080 174373961 /nfs/dbraw/zinc/37/39/61/174373961.db2.gz UIBVYOWJHGIARH-UHFFFAOYSA-N 0 3 285.141 2.636 20 30 CFEDHN C#CCOc1ccccc1CNCCc1ccc(O)cc1 ZINC000040735814 174389179 /nfs/dbraw/zinc/38/91/79/174389179.db2.gz YXEOJOPBBQHRBI-UHFFFAOYSA-N 0 3 281.355 2.737 20 30 CFEDHN C=CCN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587837 335072107 /nfs/dbraw/zinc/07/21/07/335072107.db2.gz UYSAKAHCYWFGHS-LBPRGKRZSA-N 0 3 268.401 2.798 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000334806446 225303803 /nfs/dbraw/zinc/30/38/03/225303803.db2.gz LBIVUJXSRCLDJJ-HIFRSBDPSA-N 0 3 268.360 2.942 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000335025727 225397203 /nfs/dbraw/zinc/39/72/03/225397203.db2.gz KGCGRDAMAUKPAH-TZMCWYRMSA-N 0 3 256.349 2.941 20 30 CFEDHN COc1cc([C@@H](C)NC(=O)C(C)C#N)ccc1OC(C)C ZINC000347082122 226042801 /nfs/dbraw/zinc/04/28/01/226042801.db2.gz YARDLPNOAQUNGB-VXGBXAGGSA-N 0 3 290.363 2.819 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000347109609 226053116 /nfs/dbraw/zinc/05/31/16/226053116.db2.gz QBGCRNADSPHGGY-JTQLQIEISA-N 0 3 262.740 2.647 20 30 CFEDHN CC(C#N)C(=O)NCCCCOc1ccc(Cl)cc1 ZINC000347036329 226023092 /nfs/dbraw/zinc/02/30/92/226023092.db2.gz LTENBQSBXMRGAR-NSHDSACASA-N 0 3 280.755 2.775 20 30 CFEDHN COc1ccccc1SC[C@H](C)CNCCC#N ZINC000575174711 335075311 /nfs/dbraw/zinc/07/53/11/335075311.db2.gz PMQNVHIKQNTNRE-GFCCVEGCSA-N 0 3 264.394 2.927 20 30 CFEDHN Cc1cc(Br)ccc1CN(C)C(=O)C(C)C#N ZINC000335750820 226772698 /nfs/dbraw/zinc/77/26/98/226772698.db2.gz KUAXJSYTDLLMSZ-SNVBAGLBSA-N 0 3 295.180 2.876 20 30 CFEDHN CC(C#N)C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000335785500 226825340 /nfs/dbraw/zinc/82/53/40/226825340.db2.gz RJMFYHJFMPQWEZ-VOALNZTBSA-N 0 3 280.730 2.943 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000335839579 226909849 /nfs/dbraw/zinc/90/98/49/226909849.db2.gz QOCZTLWHMASVMR-TZMCWYRMSA-N 0 3 255.365 2.742 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000352530153 227032267 /nfs/dbraw/zinc/03/22/67/227032267.db2.gz HXIYOFITZUSRQC-SCDSUCTJSA-N 0 3 260.312 2.738 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000350631041 227045875 /nfs/dbraw/zinc/04/58/75/227045875.db2.gz GFGAIQHZGXFAAA-UMVBOHGHSA-N 0 3 256.349 2.626 20 30 CFEDHN CO[C@]1(C)C[C@H](NCC(=O)NC2CCCC2)C1(C)C ZINC000329185249 227342734 /nfs/dbraw/zinc/34/27/34/227342734.db2.gz QBLFPCVZBRAHAU-SWLSCSKDSA-N 0 3 268.401 2.679 20 30 CFEDHN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@@H]1CCCN1C1CC1 ZINC000330262377 228084701 /nfs/dbraw/zinc/08/47/01/228084701.db2.gz UXLMVANNGSHQHL-HNNXBMFYSA-N 0 3 297.362 2.687 20 30 CFEDHN CN(C)C(=O)[C@@H](NCC(C)(C)CCC#N)c1ccccc1 ZINC000352269997 228211963 /nfs/dbraw/zinc/21/19/63/228211963.db2.gz AZXBCPKHWNNARG-HNNXBMFYSA-N 0 3 287.407 2.735 20 30 CFEDHN N#CCC1(CN[C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353643129 228137341 /nfs/dbraw/zinc/13/73/41/228137341.db2.gz VQXUMKDYFZPQNZ-OAHLLOKOSA-N 0 3 251.333 2.829 20 30 CFEDHN COc1cccc(C2(N[C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000353841023 228157655 /nfs/dbraw/zinc/15/76/55/228157655.db2.gz CZHGETVSDRZQMW-TZMCWYRMSA-N 0 3 256.349 2.966 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000336016218 228178080 /nfs/dbraw/zinc/17/80/80/228178080.db2.gz QUQWTOQUMGYIDJ-VIFPVBQESA-N 0 3 293.164 2.714 20 30 CFEDHN N#C[C@@H]1CC[C@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333035216 228187938 /nfs/dbraw/zinc/18/79/38/228187938.db2.gz CZNMSQAZZYBLCH-YPMHNXCESA-N 0 3 270.332 2.686 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333642083 228207836 /nfs/dbraw/zinc/20/78/36/228207836.db2.gz XMDAMAAPSQPHKG-YWPYICTPSA-N 0 3 269.348 2.742 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085358568 782024458 /nfs/dbraw/zinc/02/44/58/782024458.db2.gz IMRZJEICOBVQTF-GBJTYRQASA-N 0 3 296.842 2.802 20 30 CFEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C=C1CCC1 ZINC001273324601 782031011 /nfs/dbraw/zinc/03/10/11/782031011.db2.gz SFIKWFNUYOLWHW-UHFFFAOYSA-N 0 3 297.402 2.607 20 30 CFEDHN CO[C@@H]1CCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000086037881 260207001 /nfs/dbraw/zinc/20/70/01/260207001.db2.gz KPIVBHWLMPTALH-VUROTCPHSA-N 0 3 270.376 2.767 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C)CC1 ZINC000068830192 260226248 /nfs/dbraw/zinc/22/62/48/260226248.db2.gz JJWHWODPMGKJLG-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223002728 260256485 /nfs/dbraw/zinc/25/64/85/260256485.db2.gz HXZRGQCCIUJSBN-JHJVBQTASA-N 0 3 281.400 2.572 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)C2CCN(C)CC2)cc1 ZINC000073108084 260280255 /nfs/dbraw/zinc/28/02/55/260280255.db2.gz LDCOTXBTYNHHDC-UHFFFAOYSA-N 0 3 285.391 2.584 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449250399 260314695 /nfs/dbraw/zinc/31/46/95/260314695.db2.gz LRVNGQLAQUOHEO-ZFWWWQNUSA-N 0 3 292.810 2.868 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000090451135 260359516 /nfs/dbraw/zinc/35/95/16/260359516.db2.gz UJMWNMZWXKYIGS-ZDUSSCGKSA-N 0 3 277.364 2.701 20 30 CFEDHN C=CCCOCCNC1CC(C#N)(c2ccccc2)C1 ZINC000128221762 260373160 /nfs/dbraw/zinc/37/31/60/260373160.db2.gz SYLWGASHCKZEIH-UHFFFAOYSA-N 0 3 270.376 2.793 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000357822702 260482978 /nfs/dbraw/zinc/48/29/78/260482978.db2.gz USXLAYKEJILZQT-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN CCc1oc(CN[C@H]2CC[C@@H](CC#N)C2)cc1C(=O)OC ZINC000449445269 260589639 /nfs/dbraw/zinc/58/96/39/260589639.db2.gz HJWKUXIAQGARCJ-RYUDHWBXSA-N 0 3 290.363 2.801 20 30 CFEDHN CC#CCCN1CCC(Nc2cccc(OC)c2)CC1 ZINC000155881865 260774669 /nfs/dbraw/zinc/77/46/69/260774669.db2.gz UMTDMHXPMVVGKY-UHFFFAOYSA-N 0 3 272.392 2.985 20 30 CFEDHN CC#CCCN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000155910211 260776769 /nfs/dbraw/zinc/77/67/69/260776769.db2.gz LHMDKURNKHDCKV-UHFFFAOYSA-N 0 3 298.430 2.737 20 30 CFEDHN CC(C(=O)N(C)c1cccc(C#N)c1)C(F)(F)F ZINC000525710956 261059561 /nfs/dbraw/zinc/05/95/61/261059561.db2.gz GZOSUXLKJKLQPO-QMMMGPOBSA-N 0 3 256.227 2.719 20 30 CFEDHN CC1CCN([C@@H](CNC(=O)CC#N)c2cccs2)CC1 ZINC000153484782 261078967 /nfs/dbraw/zinc/07/89/67/261078967.db2.gz UPSQQAPCLKZYRP-ZDUSSCGKSA-N 0 3 291.420 2.551 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444771822 261171866 /nfs/dbraw/zinc/17/18/66/261171866.db2.gz KTUXTEPAWOHSJI-OAHLLOKOSA-N 0 3 266.429 2.779 20 30 CFEDHN CC(C)[C@@H](O)C1(CNC2CC(C#N)(c3ccccc3)C2)CC1 ZINC000368425915 261246862 /nfs/dbraw/zinc/24/68/62/261246862.db2.gz SPZGGDAMGHCAQT-TVRKMHQQSA-N 0 3 298.430 2.997 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CC1CCC1 ZINC000361482036 261290977 /nfs/dbraw/zinc/29/09/77/261290977.db2.gz TYOAERXKGQNCBZ-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN C#CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000491048064 261311709 /nfs/dbraw/zinc/31/17/09/261311709.db2.gz WSWRGJJHUAFWFG-CQSZACIVSA-N 0 3 292.423 2.731 20 30 CFEDHN N#CCCCCN1CCC(O)(c2ccccc2)CC1 ZINC000185495268 262057050 /nfs/dbraw/zinc/05/70/50/262057050.db2.gz DTEXEFDWNVLKKC-UHFFFAOYSA-N 0 3 258.365 2.664 20 30 CFEDHN CCNC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185778943 262070021 /nfs/dbraw/zinc/07/00/21/262070021.db2.gz PMAFSPIQVZCTOK-GOEBONIOSA-N 0 3 285.391 2.608 20 30 CFEDHN CN(C[C@H]1CCCN1CCCC#N)c1ccccc1 ZINC000364043569 262117613 /nfs/dbraw/zinc/11/76/13/262117613.db2.gz UXGNTEMWWWFZOQ-MRXNPFEDSA-N 0 3 257.381 2.891 20 30 CFEDHN C[C@H](O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000192723884 262209583 /nfs/dbraw/zinc/20/95/83/262209583.db2.gz ZTDAKERMYAETNO-NOLJZWGESA-N 0 3 258.365 2.912 20 30 CFEDHN C[C@@H](O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000192723901 262209684 /nfs/dbraw/zinc/20/96/84/262209684.db2.gz ZTDAKERMYAETNO-INWMFGNUSA-N 0 3 258.365 2.912 20 30 CFEDHN N#CCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192982009 262213739 /nfs/dbraw/zinc/21/37/39/262213739.db2.gz QFYRNAYDABIMGH-HUUCEWRRSA-N 0 3 269.348 2.761 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000120626285 262221352 /nfs/dbraw/zinc/22/13/52/262221352.db2.gz SLZWCIOVHHCKGU-CYBMUJFWSA-N 0 3 268.360 2.793 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000111256348 262258177 /nfs/dbraw/zinc/25/81/77/262258177.db2.gz MGMXTMNAMYBJNY-CQSZACIVSA-N 0 3 266.429 2.777 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N(CC)CCC#N)C1CC1 ZINC000111226852 262258313 /nfs/dbraw/zinc/25/83/13/262258313.db2.gz YGNPAWDWKAOKEB-UONOGXRCSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CC1CCN(CCOc2ccccc2OC)CC1 ZINC000111259948 262264791 /nfs/dbraw/zinc/26/47/91/262264791.db2.gz MVXWWLKFPDQUGP-UHFFFAOYSA-N 0 3 261.365 2.972 20 30 CFEDHN C=CCN1CCC(Nc2ccc(-c3nc(C)no3)cn2)CC1 ZINC000364910235 262264999 /nfs/dbraw/zinc/26/49/99/262264999.db2.gz RDSQUGJODJWWIJ-UHFFFAOYSA-N 0 3 299.378 2.502 20 30 CFEDHN C#CCCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000119474053 262274042 /nfs/dbraw/zinc/27/40/42/262274042.db2.gz UVKVGKINYXUXBK-UHFFFAOYSA-N 0 3 298.430 2.961 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000184267142 262275294 /nfs/dbraw/zinc/27/52/94/262275294.db2.gz RUTXATJETSDXCG-JTQLQIEISA-N 0 3 277.261 2.871 20 30 CFEDHN CN(CCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495481995 262277734 /nfs/dbraw/zinc/27/77/34/262277734.db2.gz TXOSPPNWHVDMHH-ZDUSSCGKSA-N 0 3 281.400 2.525 20 30 CFEDHN CC(C)C1(C)CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000186197609 262311810 /nfs/dbraw/zinc/31/18/10/262311810.db2.gz RTQQPGVYDHDIKJ-AWEZNQCLSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCN1CC[C@@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000365226315 262352719 /nfs/dbraw/zinc/35/27/19/262352719.db2.gz IEQBCVFAJMRWQV-CJNGLKHVSA-N 0 3 280.412 2.942 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CCO)CC1 ZINC000527481782 269887280 /nfs/dbraw/zinc/88/72/80/269887280.db2.gz FFLINYNYARUUSN-CYBMUJFWSA-N 0 3 258.365 2.714 20 30 CFEDHN CC(C)(C#N)CCN1CCC(Oc2ccccn2)CC1 ZINC000336823584 262397965 /nfs/dbraw/zinc/39/79/65/262397965.db2.gz QGZYOXSUTDROKS-UHFFFAOYSA-N 0 3 273.380 2.865 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2Cc2ccccc2C)C1=O ZINC000337195159 262431988 /nfs/dbraw/zinc/43/19/88/262431988.db2.gz VSNYIJHSBLAPIY-ZWKOTPCHSA-N 0 3 298.430 2.789 20 30 CFEDHN CCC(=O)N[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411214645 262684037 /nfs/dbraw/zinc/68/40/37/262684037.db2.gz BCIZLYTWDNUDGV-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000411332131 262689478 /nfs/dbraw/zinc/68/94/78/262689478.db2.gz MYTIWPKDVXJTFQ-HOTGVXAUSA-N 0 3 299.418 2.821 20 30 CFEDHN CC[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000263769357 262853522 /nfs/dbraw/zinc/85/35/22/262853522.db2.gz DZRMVFOWVJPNMV-INIZCTEOSA-N 0 3 285.391 2.704 20 30 CFEDHN COc1ccc([C@@H](CCO)NCCC(C)(C)C#N)cc1 ZINC000272009678 263001048 /nfs/dbraw/zinc/00/10/48/263001048.db2.gz KCDSLJRHKGOMJH-OAHLLOKOSA-N 0 3 276.380 2.648 20 30 CFEDHN CC1(C#N)CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000272600652 263007245 /nfs/dbraw/zinc/00/72/45/263007245.db2.gz QVQKUSPJZJJYOP-UHFFFAOYSA-N 0 3 280.375 2.998 20 30 CFEDHN N#CCCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000273091061 263012487 /nfs/dbraw/zinc/01/24/87/263012487.db2.gz SRGMPPMXWFEEOG-UHFFFAOYSA-N 0 3 266.728 2.505 20 30 CFEDHN N#CCCCNCc1ccc(Oc2cnccn2)cc1 ZINC000273102656 263012648 /nfs/dbraw/zinc/01/26/48/263012648.db2.gz VYUMYKDNWMPYFW-UHFFFAOYSA-N 0 3 268.320 2.662 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000451956869 263013982 /nfs/dbraw/zinc/01/39/82/263013982.db2.gz SFEZPVCAFGNARJ-QLFBSQMISA-N 0 3 279.428 2.505 20 30 CFEDHN C[C@H](CNC(=O)CC(C)(C)C#N)N(C)Cc1ccccc1 ZINC000278366772 263047355 /nfs/dbraw/zinc/04/73/55/263047355.db2.gz OUGDMTOGOZSOGL-CQSZACIVSA-N 0 3 287.407 2.563 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)C(=O)CC(C)(C)C#N ZINC000278381603 263047883 /nfs/dbraw/zinc/04/78/83/263047883.db2.gz HQPWKLPSUMGYCV-UHFFFAOYSA-N 0 3 287.407 2.517 20 30 CFEDHN CC(C)(C#N)CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000278435344 263047924 /nfs/dbraw/zinc/04/79/24/263047924.db2.gz ZXNWJOXXHUCRTR-INIZCTEOSA-N 0 3 299.418 2.707 20 30 CFEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@H]1CC[C@H](C#N)C1 ZINC000278672651 263049618 /nfs/dbraw/zinc/04/96/18/263049618.db2.gz RCRFYUHOSUZKGN-SOUVJXGZSA-N 0 3 286.375 2.841 20 30 CFEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)C1CCC1 ZINC000279365934 263055114 /nfs/dbraw/zinc/05/51/14/263055114.db2.gz IDDQKDDGEIOHDO-UHFFFAOYSA-N 0 3 295.390 2.843 20 30 CFEDHN C[C@@H]1CCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279520221 263055976 /nfs/dbraw/zinc/05/59/76/263055976.db2.gz SNYGEWSWQDQRGR-CJNGLKHVSA-N 0 3 281.359 2.642 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000280311374 263060195 /nfs/dbraw/zinc/06/01/95/263060195.db2.gz GEADQGDISIHZRM-JKIFEVAISA-N 0 3 295.386 2.888 20 30 CFEDHN Cc1cccc(CC2(O)CCN(CCCC#N)CC2)c1 ZINC000280359123 263060603 /nfs/dbraw/zinc/06/06/03/263060603.db2.gz JOVYHBSHWHUAEJ-UHFFFAOYSA-N 0 3 272.392 2.668 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340093191 263069113 /nfs/dbraw/zinc/06/91/13/263069113.db2.gz CORLPECDDZONGJ-GDBMZVCRSA-N 0 3 284.403 2.699 20 30 CFEDHN COC[C@@H](NCCCC1(C#N)CCOCC1)c1ccco1 ZINC000281507391 263069687 /nfs/dbraw/zinc/06/96/87/263069687.db2.gz YLBHVRXMNUADGD-CQSZACIVSA-N 0 3 292.379 2.657 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000285282046 263091845 /nfs/dbraw/zinc/09/18/45/263091845.db2.gz ZGRAFTMYIBRRBK-INIZCTEOSA-N 0 3 289.379 2.505 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC#N ZINC000292028274 263127420 /nfs/dbraw/zinc/12/74/20/263127420.db2.gz DLWFEVLCPNVVSV-MRXNPFEDSA-N 0 3 299.418 2.803 20 30 CFEDHN N#CCCOCCN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000292885419 263136117 /nfs/dbraw/zinc/13/61/17/263136117.db2.gz UNWRVAULMSLFES-UHFFFAOYSA-N 0 3 298.390 2.673 20 30 CFEDHN CC(C)(C#N)CCN1CCC(CO)(c2ccccc2)CC1 ZINC000293298135 263139194 /nfs/dbraw/zinc/13/91/94/263139194.db2.gz KQBNEDAXKFJRSA-UHFFFAOYSA-N 0 3 286.419 2.952 20 30 CFEDHN CCOc1cccc([C@@H](C)NCCOCCC#N)c1 ZINC000293708472 263147414 /nfs/dbraw/zinc/14/74/14/263147414.db2.gz DLMCRGWTOVUIMP-CYBMUJFWSA-N 0 3 262.353 2.666 20 30 CFEDHN CC1(c2ccccc2)CCN(CCOCCC#N)CC1 ZINC000293734154 263148034 /nfs/dbraw/zinc/14/80/34/263148034.db2.gz GVIXEJOCFZSXQR-UHFFFAOYSA-N 0 3 272.392 2.970 20 30 CFEDHN N#CCCOCCN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000293956865 263153026 /nfs/dbraw/zinc/15/30/26/263153026.db2.gz CEVRVQQXTPYKHV-GJZGRUSLSA-N 0 3 294.782 2.690 20 30 CFEDHN N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2NCc2ccco2)O1 ZINC000366701238 263164013 /nfs/dbraw/zinc/16/40/13/263164013.db2.gz YMQTXPKHSXOWNX-NMFUWQPSSA-N 0 3 260.337 2.609 20 30 CFEDHN CN(CCOCCC#N)CC1(c2ccccc2)CC1 ZINC000294702045 263166287 /nfs/dbraw/zinc/16/62/87/263166287.db2.gz UQFBXZBVQLASEU-UHFFFAOYSA-N 0 3 258.365 2.580 20 30 CFEDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295119431 263172776 /nfs/dbraw/zinc/17/27/76/263172776.db2.gz WIKKWPVXWNUXOL-JSGCOSHPSA-N 0 3 274.364 2.963 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2c(Br)cccc21 ZINC000353570539 263175417 /nfs/dbraw/zinc/17/54/17/263175417.db2.gz TXTYSIMSZWJJJB-QMTHXVAHSA-N 0 3 296.208 2.963 20 30 CFEDHN CN(CCCSCC#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296323485 263190172 /nfs/dbraw/zinc/19/01/72/263190172.db2.gz OWZLQVULESKJPW-CQSZACIVSA-N 0 3 298.839 2.952 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3cncn3c2)C1 ZINC000297499625 263205557 /nfs/dbraw/zinc/20/55/57/263205557.db2.gz LHARLDNJPHILCC-TZMCWYRMSA-N 0 3 254.337 2.506 20 30 CFEDHN C=CCC[C@H](NCC[C@](C)(O)COC)c1ccco1 ZINC000453260211 263212930 /nfs/dbraw/zinc/21/29/30/263212930.db2.gz QWIYEUCMMBQHSS-ZFWWWQNUSA-N 0 3 267.369 2.664 20 30 CFEDHN C[C@H](CCC#N)N1CCC(Oc2ncccc2F)CC1 ZINC000298473139 263219877 /nfs/dbraw/zinc/21/98/77/263219877.db2.gz ITVITVMSIWXRJI-GFCCVEGCSA-N 0 3 277.343 2.756 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(CCC)CCc1cccs1 ZINC000299186720 263234437 /nfs/dbraw/zinc/23/44/37/263234437.db2.gz BYIHUVNDQDGMCA-ZDUSSCGKSA-N 0 3 280.437 2.693 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCC[C@@H]1C(=O)NC)c1ccco1 ZINC000353617616 263271810 /nfs/dbraw/zinc/27/18/10/263271810.db2.gz DSIPMFJNGVJNOA-MJBXVCDLSA-N 0 3 276.380 2.791 20 30 CFEDHN C=CCN(CC[C@@H]1CCOC1=O)Cc1ccccc1 ZINC000120135135 263281352 /nfs/dbraw/zinc/28/13/52/263281352.db2.gz KROSOHPSRGEBTG-OAHLLOKOSA-N 0 3 259.349 2.628 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093215893 263289141 /nfs/dbraw/zinc/28/91/41/263289141.db2.gz HXZRGQCCIUJSBN-UPJWGTAASA-N 0 3 281.400 2.572 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CCCSC1 ZINC000341051138 263319325 /nfs/dbraw/zinc/31/93/25/263319325.db2.gz ZNKLOKNSPNJZFK-GJZGRUSLSA-N 0 3 288.416 2.771 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000341447972 263335896 /nfs/dbraw/zinc/33/58/96/263335896.db2.gz CNHSIXUZOCTIFY-ZIAGYGMSSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)CC(C)C ZINC000341430125 263337342 /nfs/dbraw/zinc/33/73/42/263337342.db2.gz IVAXVKGFPZNRQF-CQSZACIVSA-N 0 3 269.433 2.570 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC000341509957 263340777 /nfs/dbraw/zinc/34/07/77/263340777.db2.gz NBOOAUJBBPXNIB-HNNXBMFYSA-N 0 3 293.455 2.897 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](Cc1ccccn1)c1cccnc1 ZINC000341878239 263362320 /nfs/dbraw/zinc/36/23/20/263362320.db2.gz MLNYVWXKTCUGNP-CRAIPNDOSA-N 0 3 297.402 2.535 20 30 CFEDHN C=CCC[C@@H](NCCc1cnn(C)c1)c1ccco1 ZINC000353674811 263377020 /nfs/dbraw/zinc/37/70/20/263377020.db2.gz XTROSYYVFGSAHQ-CQSZACIVSA-N 0 3 259.353 2.853 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2ccnc(C)n2)CC1 ZINC000353674808 263377254 /nfs/dbraw/zinc/37/72/54/263377254.db2.gz XSYQQACUOSVMOP-AWEZNQCLSA-N 0 3 274.412 2.652 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341992385 263382079 /nfs/dbraw/zinc/38/20/79/263382079.db2.gz IUZMVRNMNSDVQO-UHFFFAOYSA-N 0 3 289.335 2.575 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000334300543 263570262 /nfs/dbraw/zinc/57/02/62/263570262.db2.gz UVFBICLELAAJFA-IINYFYTJSA-N 0 3 280.730 2.897 20 30 CFEDHN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)N(C)C1CC1 ZINC000328636014 263830056 /nfs/dbraw/zinc/83/00/56/263830056.db2.gz CGWUJWWXXUDTAV-NEPJUHHUSA-N 0 3 281.400 2.715 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1CCC ZINC000343246239 263838362 /nfs/dbraw/zinc/83/83/62/263838362.db2.gz HDSGHLYLLBSZQJ-ZIAGYGMSSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCn1cc(CNCC[C@H](C)c2ccccc2)nn1 ZINC000425346057 264018033 /nfs/dbraw/zinc/01/80/33/264018033.db2.gz AUOFEGVMEXPSDZ-AWEZNQCLSA-N 0 3 270.380 2.748 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000330708931 264020006 /nfs/dbraw/zinc/02/00/06/264020006.db2.gz VWUSKNXGOWZQDI-MRXNPFEDSA-N 0 3 285.391 2.932 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000330775579 264035015 /nfs/dbraw/zinc/03/50/15/264035015.db2.gz HSMPSTVPBDWZET-UHFFFAOYSA-N 0 3 296.374 2.513 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000330851989 264068479 /nfs/dbraw/zinc/06/84/79/264068479.db2.gz QLTHDAKVHIAPJI-BFYDXBDKSA-N 0 3 291.439 2.717 20 30 CFEDHN C=CCn1cc(CNCCCC2CCCCC2)nn1 ZINC000425352283 264123451 /nfs/dbraw/zinc/12/34/51/264123451.db2.gz KKUCYMVQXYTVGX-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN CC[C@H](CC#N)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000331210156 264162750 /nfs/dbraw/zinc/16/27/50/264162750.db2.gz XHZXVAXXQRGKPX-HIFRSBDPSA-N 0 3 277.412 2.592 20 30 CFEDHN CNC(=O)c1cccc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1 ZINC000331277101 264170800 /nfs/dbraw/zinc/17/08/00/264170800.db2.gz FVOLYYKWGPQQQU-WOSRLPQWSA-N 0 3 290.407 2.602 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C#N)oc2C)CC1 ZINC000331233862 264173465 /nfs/dbraw/zinc/17/34/65/264173465.db2.gz RZXUTWXMIUJXIU-UHFFFAOYSA-N 0 3 287.363 2.805 20 30 CFEDHN C=C(C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976248 264243030 /nfs/dbraw/zinc/24/30/30/264243030.db2.gz HJCIGQXJSLFGFQ-HNNXBMFYSA-N 0 3 261.365 2.949 20 30 CFEDHN C=C(C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976248 264243032 /nfs/dbraw/zinc/24/30/32/264243032.db2.gz HJCIGQXJSLFGFQ-HNNXBMFYSA-N 0 3 261.365 2.949 20 30 CFEDHN CCCCN(CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343262680 264260883 /nfs/dbraw/zinc/26/08/83/264260883.db2.gz CYHGITPPRQHZAX-ZFWWWQNUSA-N 0 3 267.417 2.551 20 30 CFEDHN C[C@@H]1[C@H](CO)CCN1Cc1cccc(OCCCC#N)c1 ZINC000425998309 264304601 /nfs/dbraw/zinc/30/46/01/264304601.db2.gz HUHBZZKLYKKFQF-ZBFHGGJFSA-N 0 3 288.391 2.572 20 30 CFEDHN C[C@@H](c1ccccc1)N(CC(=O)NCC#N)C1CCCC1 ZINC000425457857 264330503 /nfs/dbraw/zinc/33/05/03/264330503.db2.gz LILHLSXBCHOEFC-AWEZNQCLSA-N 0 3 285.391 2.632 20 30 CFEDHN CCCN(CC(=O)NC1(C#N)CCC1)CC1CCCCC1 ZINC000525885626 265031975 /nfs/dbraw/zinc/03/19/75/265031975.db2.gz CRUJDSNCYJSLMB-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN CC[C@H](CC#N)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000094010447 265209112 /nfs/dbraw/zinc/20/91/12/265209112.db2.gz FVVIZCGHCIBYJX-CQSZACIVSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000096704096 265381154 /nfs/dbraw/zinc/38/11/54/265381154.db2.gz BVTUXMOEABGGKQ-INIZCTEOSA-N 0 3 287.407 2.617 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2cc(C)ccn2)CC1 ZINC000353504135 266039232 /nfs/dbraw/zinc/03/92/32/266039232.db2.gz QDTFOAUNVWOMQT-AWEZNQCLSA-N 0 3 259.397 2.691 20 30 CFEDHN CCCOc1ccc(CNC(=O)C(C)C#N)c(C)c1 ZINC000356634514 266151844 /nfs/dbraw/zinc/15/18/44/266151844.db2.gz MFHUINVYJDLVHC-LBPRGKRZSA-N 0 3 260.337 2.560 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(C)CCCOC2)cc1OC ZINC000357347091 266280291 /nfs/dbraw/zinc/28/02/91/266280291.db2.gz UBGJKMISHHCCRO-KRWDZBQOSA-N 0 3 291.391 2.919 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000357395341 266289539 /nfs/dbraw/zinc/28/95/39/266289539.db2.gz YDKMVSWJDWKZRM-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000357514604 266314799 /nfs/dbraw/zinc/31/47/99/266314799.db2.gz FSTUIBWGIPNMBM-ZIAGYGMSSA-N 0 3 293.411 2.926 20 30 CFEDHN C=CCN(C(=O)NCCN1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000357591865 266332741 /nfs/dbraw/zinc/33/27/41/266332741.db2.gz UJTGVDDXZGFYLM-OKILXGFUSA-N 0 3 279.428 2.609 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1ccc(Br)s1 ZINC000357920503 266386291 /nfs/dbraw/zinc/38/62/91/266386291.db2.gz LNIDXAMGSJGDNW-CSMHCCOUSA-N 0 3 299.193 2.642 20 30 CFEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N(CC)CC ZINC000359172957 266546390 /nfs/dbraw/zinc/54/63/90/266546390.db2.gz XLCCXKAVUAHHHS-HUUCEWRRSA-N 0 3 291.370 2.627 20 30 CFEDHN C=CCN(CCOC)[C@@H](CCOC)c1ccccc1 ZINC000362051167 266922924 /nfs/dbraw/zinc/92/29/24/266922924.db2.gz ZDXNVEMMNJPGRY-INIZCTEOSA-N 0 3 263.381 2.899 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000362371301 266971391 /nfs/dbraw/zinc/97/13/91/266971391.db2.gz QJXXYXPAOVVPCH-ZBFHGGJFSA-N 0 3 289.423 2.943 20 30 CFEDHN C=C[C@H](C)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000362680870 267034804 /nfs/dbraw/zinc/03/48/04/267034804.db2.gz XDZSSSSHRIIUEE-ZDUSSCGKSA-N 0 3 291.395 2.631 20 30 CFEDHN N#CCCCN1CCC[C@H](n2cnc3ccccc32)C1 ZINC000362814337 267050331 /nfs/dbraw/zinc/05/03/31/267050331.db2.gz MQLKLSQORLMEJR-AWEZNQCLSA-N 0 3 268.364 2.977 20 30 CFEDHN CCCCCCCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363124984 267075448 /nfs/dbraw/zinc/07/54/48/267075448.db2.gz GBBCTTQTHKXBEU-JKSUJKDBSA-N 0 3 296.455 2.716 20 30 CFEDHN N#CCCCCN1CCC(NC(=O)c2cccs2)CC1 ZINC000363200421 267079384 /nfs/dbraw/zinc/07/93/84/267079384.db2.gz KFEXWZCEUVZNRA-UHFFFAOYSA-N 0 3 291.420 2.636 20 30 CFEDHN C#CCN[C@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000367664375 267107436 /nfs/dbraw/zinc/10/74/36/267107436.db2.gz SQCVEUSBSFUCNX-LLVKDONJSA-N 0 3 257.312 2.604 20 30 CFEDHN C=CCC[C@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368033183 267139297 /nfs/dbraw/zinc/13/92/97/267139297.db2.gz DDVNDBCALLFIDF-SFHVURJKSA-N 0 3 286.419 2.779 20 30 CFEDHN C#C[C@H](C)NCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000368038635 267140136 /nfs/dbraw/zinc/14/01/36/267140136.db2.gz PEBFYMVYGLLCJH-LBPRGKRZSA-N 0 3 279.343 2.945 20 30 CFEDHN CC#CCCN1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000368485856 267176413 /nfs/dbraw/zinc/17/64/13/267176413.db2.gz KRLKPBMYQMXESY-KRWDZBQOSA-N 0 3 282.387 2.848 20 30 CFEDHN CC#CCCN1CCC2(CC1)OCc1ccccc12 ZINC000368487823 267177656 /nfs/dbraw/zinc/17/76/56/267177656.db2.gz WKRKIOWHOIBQMV-UHFFFAOYSA-N 0 3 255.361 2.921 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccc(C)cc3)C2)C1=O ZINC000368534576 267180647 /nfs/dbraw/zinc/18/06/47/267180647.db2.gz NWCFHXJZHHBURE-IRXDYDNUSA-N 0 3 284.403 2.571 20 30 CFEDHN N#CCC1(CNc2ccncc2-c2cccnc2)CC1 ZINC000368552029 267183401 /nfs/dbraw/zinc/18/34/01/267183401.db2.gz VLDKJPCDXSYGHA-UHFFFAOYSA-N 0 3 264.332 2.671 20 30 CFEDHN C#Cc1ccc(CN2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000368566795 267186556 /nfs/dbraw/zinc/18/65/56/267186556.db2.gz JXGQRMAGFYQLRO-GOSISDBHSA-N 0 3 296.414 2.645 20 30 CFEDHN C=CC[C@@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000116907721 267193590 /nfs/dbraw/zinc/19/35/90/267193590.db2.gz CGGOGPBQIBANNY-SKDRFNHKSA-N 0 3 297.196 2.530 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000117346123 267212322 /nfs/dbraw/zinc/21/23/22/267212322.db2.gz XIIMWKJPLKQNFK-GJZGRUSLSA-N 0 3 279.428 2.507 20 30 CFEDHN N#CC1(CCCN2CCOC3(CCCC3)C2)CCOCC1 ZINC000369053982 267219024 /nfs/dbraw/zinc/21/90/24/267219024.db2.gz JHRYINRGBGRLLM-UHFFFAOYSA-N 0 3 292.423 2.732 20 30 CFEDHN C=CCCCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000117882238 267224056 /nfs/dbraw/zinc/22/40/56/267224056.db2.gz OOGPDDHYCHNZEU-HNNXBMFYSA-N 0 3 258.365 2.690 20 30 CFEDHN C=CCN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000369253799 267229490 /nfs/dbraw/zinc/22/94/90/267229490.db2.gz AEAARJOVNHBNIY-INIZCTEOSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC2(CCC2)C1 ZINC000369361224 267238168 /nfs/dbraw/zinc/23/81/68/267238168.db2.gz AXXMQMRPVNQPOI-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCCCCC[C@@H]21 ZINC000369462200 267244122 /nfs/dbraw/zinc/24/41/22/267244122.db2.gz JSNMSHFOAGBANZ-PMPSAXMXSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000369556312 267250496 /nfs/dbraw/zinc/25/04/96/267250496.db2.gz KVSLEIGPAHBOFW-HOCLYGCPSA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000369684675 267259949 /nfs/dbraw/zinc/25/99/49/267259949.db2.gz WULIQEVMAXZEOQ-JLJPHGGASA-N 0 3 286.375 2.588 20 30 CFEDHN OC[C@@H]1CCCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000370206461 267299039 /nfs/dbraw/zinc/29/90/39/267299039.db2.gz AVMPVGWPQSMYAL-OAHLLOKOSA-N 0 3 277.795 2.786 20 30 CFEDHN CC#CCCN1CCC(Nc2cccc(C)n2)CC1 ZINC000370420816 267318002 /nfs/dbraw/zinc/31/80/02/267318002.db2.gz LWEAYTLWRHIUQY-UHFFFAOYSA-N 0 3 257.381 2.680 20 30 CFEDHN Cn1cc(-c2cccc(CNCC3(CC#N)CC3)c2)cn1 ZINC000370517914 267325991 /nfs/dbraw/zinc/32/59/91/267325991.db2.gz IMPCEFJEURLNEK-UHFFFAOYSA-N 0 3 280.375 2.871 20 30 CFEDHN CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(C#N)s1 ZINC000527805039 267330645 /nfs/dbraw/zinc/33/06/45/267330645.db2.gz HOKKIJJGFURDPU-HNNXBMFYSA-N 0 3 297.383 2.536 20 30 CFEDHN N#CC1(CN[C@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000418139013 267360845 /nfs/dbraw/zinc/36/08/45/267360845.db2.gz HBNDRHUTPIVPPA-KRWDZBQOSA-N 0 3 283.419 2.934 20 30 CFEDHN Cc1nnc([C@@H]2CC23CCN(CCC(C)(C)C#N)CC3)o1 ZINC000371204320 267370025 /nfs/dbraw/zinc/37/00/25/267370025.db2.gz GZGLFXALQCRYIO-ZDUSSCGKSA-N 0 3 288.395 2.887 20 30 CFEDHN C=CC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120927301 267531584 /nfs/dbraw/zinc/53/15/84/267531584.db2.gz PWKCGIFUFPYKHL-UHFFFAOYSA-N 0 3 256.349 2.965 20 30 CFEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCCC(C)(C)C#N ZINC000376658305 268006835 /nfs/dbraw/zinc/00/68/35/268006835.db2.gz RDMBOMCAATXYFK-KFWWJZLASA-N 0 3 292.423 2.980 20 30 CFEDHN C=C(C)CN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000376880032 268026592 /nfs/dbraw/zinc/02/65/92/268026592.db2.gz LXUWUPPTEPIRDP-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN Cn1cc(CN[C@H]2CCc3ccc(F)cc32)cc1C#N ZINC000516902026 268128358 /nfs/dbraw/zinc/12/83/58/268128358.db2.gz PKXKRFOFGSHUSG-INIZCTEOSA-N 0 3 269.323 2.813 20 30 CFEDHN N#Cc1cccc(CN2CCCCC[C@@H]2CCO)c1F ZINC000342058520 268246838 /nfs/dbraw/zinc/24/68/38/268246838.db2.gz JWKNDOHKQUVBJU-OAHLLOKOSA-N 0 3 276.355 2.824 20 30 CFEDHN N#Cc1cccc(CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000374629901 268247049 /nfs/dbraw/zinc/24/70/49/268247049.db2.gz JFVKEBKSBVRLAB-KRWDZBQOSA-N 0 3 270.376 2.807 20 30 CFEDHN COCCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000397150349 270315817 /nfs/dbraw/zinc/31/58/17/270315817.db2.gz GXNDAISHSNLCBC-UHFFFAOYSA-N 0 3 250.317 2.556 20 30 CFEDHN C[C@@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000276918334 274250529 /nfs/dbraw/zinc/25/05/29/274250529.db2.gz GUOKXLBQOMVMHC-IUODEOHRSA-N 0 3 284.359 2.695 20 30 CFEDHN C[C@H]1CCCC[C@@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000346140187 274553065 /nfs/dbraw/zinc/55/30/65/274553065.db2.gz XCFCYDVTVOTOGM-DOTOQJQBSA-N 0 3 298.434 2.902 20 30 CFEDHN CCN(CC(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000153714983 276088580 /nfs/dbraw/zinc/08/85/80/276088580.db2.gz CYARJZMXNBYMLU-INIZCTEOSA-N 0 3 285.391 2.641 20 30 CFEDHN CC[C@H](C)[C@H](CNCc1ccc(C#N)c(F)c1)OC ZINC000404118816 276621160 /nfs/dbraw/zinc/62/11/60/276621160.db2.gz MUWABKYSOFMMEE-NHYWBVRUSA-N 0 3 264.344 2.848 20 30 CFEDHN CCc1nc2n(n1)CCC[C@@H]2NC1CCC(C)(C#N)CC1 ZINC000331820892 276693782 /nfs/dbraw/zinc/69/37/82/276693782.db2.gz OSGHNPDLPAAYNW-UYJPIKCFSA-N 0 3 287.411 2.737 20 30 CFEDHN C#CC[C@H](NC(=O)[C@H](CC)N(CC)CC)c1ccccc1 ZINC000274063370 276790653 /nfs/dbraw/zinc/79/06/53/276790653.db2.gz MCZKHFKWJGTNBM-IRXDYDNUSA-N 0 3 286.419 2.988 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000161227799 276888886 /nfs/dbraw/zinc/88/88/86/276888886.db2.gz JLXWPTBNKUFXAG-CYBMUJFWSA-N 0 3 293.436 2.712 20 30 CFEDHN CN1CCC[C@H]2CN(c3snc(Cl)c3C#N)CC[C@@H]21 ZINC000301709793 277085383 /nfs/dbraw/zinc/08/53/83/277085383.db2.gz JUMILPQDKNFUNB-ONGXEEELSA-N 0 3 296.827 2.589 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCCC#N ZINC000089140619 277199631 /nfs/dbraw/zinc/19/96/31/277199631.db2.gz QETHFMGBRQJQDN-STQMWFEESA-N 0 3 281.400 2.573 20 30 CFEDHN COc1cc(CN2CCCCC[C@@H]2CCO)ccc1C#N ZINC000342823712 277376494 /nfs/dbraw/zinc/37/64/94/277376494.db2.gz NOORBSUYVHBTHF-MRXNPFEDSA-N 0 3 288.391 2.694 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccccc1N(C)C ZINC000181093190 277696275 /nfs/dbraw/zinc/69/62/75/277696275.db2.gz UQMZBGUGWJDFNQ-CYBMUJFWSA-N 0 3 262.422 2.770 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](C)c2nccn2CC)CC1 ZINC000297731257 277775931 /nfs/dbraw/zinc/77/59/31/277775931.db2.gz NPHHIXVABUBYFU-CQSZACIVSA-N 0 3 276.428 2.594 20 30 CFEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CC[C@@H](C#N)C1)CCO2 ZINC000333091891 277985087 /nfs/dbraw/zinc/98/50/87/277985087.db2.gz OHSULDGGAWJNNH-XUJVJEKNSA-N 0 3 272.348 2.801 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000347116361 278132611 /nfs/dbraw/zinc/13/26/11/278132611.db2.gz RWEGJHQXSBSBKW-JTNHKYCSSA-N 0 3 292.766 2.788 20 30 CFEDHN CS[C@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1N(C)C ZINC000297467366 278167910 /nfs/dbraw/zinc/16/79/10/278167910.db2.gz KPEZVLUBFMBBSN-KBPBESRZSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000271911601 278265837 /nfs/dbraw/zinc/26/58/37/278265837.db2.gz YBHGMIAVGMOICN-CABZTGNLSA-N 0 3 272.270 2.522 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000120984153 278442680 /nfs/dbraw/zinc/44/26/80/278442680.db2.gz MYXWLZUJQSDZSA-WQVCFCJDSA-N 0 3 299.418 2.889 20 30 CFEDHN CC1CCC(N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000336116943 278522412 /nfs/dbraw/zinc/52/24/12/278522412.db2.gz YGSOQZNDHRMNIT-ODZFXCKXSA-N 0 3 275.440 2.875 20 30 CFEDHN CC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000278786415 288069543 /nfs/dbraw/zinc/06/95/43/288069543.db2.gz QDKGKBLNSQSMFA-JKSUJKDBSA-N 0 3 285.391 2.608 20 30 CFEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H](O)C(F)F ZINC000453272955 288072446 /nfs/dbraw/zinc/07/24/46/288072446.db2.gz SSBMSNULSWIHRM-BFHYXJOUSA-N 0 3 280.318 2.540 20 30 CFEDHN C[C@@H]1COCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000277547089 278854099 /nfs/dbraw/zinc/85/40/99/278854099.db2.gz SMRSRKJMISIHAW-IUODEOHRSA-N 0 3 263.768 2.706 20 30 CFEDHN C[C@@H]1[C@H](C)N(Cc2ccc(C#N)cc2Cl)CCN1C ZINC000439440738 279104053 /nfs/dbraw/zinc/10/40/53/279104053.db2.gz OUSTTYGDXJZIQQ-NEPJUHHUSA-N 0 3 277.799 2.736 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347613210 279172556 /nfs/dbraw/zinc/17/25/56/279172556.db2.gz GWXIJZDJVJDNED-CABCVRRESA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000276918341 279475191 /nfs/dbraw/zinc/47/51/91/279475191.db2.gz GUOKXLBQOMVMHC-WFASDCNBSA-N 0 3 284.359 2.695 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCN(CC3CCCCC3)CC2)C1 ZINC000335909799 279490151 /nfs/dbraw/zinc/49/01/51/279490151.db2.gz XIPJZAVKTFZWPD-IRXDYDNUSA-N 0 3 275.440 2.877 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCCC2=O)CC1 ZINC000118397840 279595629 /nfs/dbraw/zinc/59/56/29/279595629.db2.gz MXTFCMSJUIUGHF-CQSZACIVSA-N 0 3 297.402 2.706 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)C[C@H]1C(=O)OC(C)(C)C ZINC000332394099 288254662 /nfs/dbraw/zinc/25/46/62/288254662.db2.gz SFJIRJHBBDPQJU-YIYPIFLZSA-N 0 3 278.396 2.588 20 30 CFEDHN Cc1ccnc(N2CCC[C@@H]2CN2CCCCC2)c1C#N ZINC000275051640 281455599 /nfs/dbraw/zinc/45/55/99/281455599.db2.gz OVWOVPSISQBQHY-OAHLLOKOSA-N 0 3 284.407 2.716 20 30 CFEDHN N#Cc1ccc2ncc(CNC[C@@H]3CCCCS3)n2c1 ZINC000542484922 281626702 /nfs/dbraw/zinc/62/67/02/281626702.db2.gz AEQUHHDUVDCDNS-AWEZNQCLSA-N 0 3 286.404 2.581 20 30 CFEDHN CC1(C)CC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000554406728 281892239 /nfs/dbraw/zinc/89/22/39/281892239.db2.gz ILBSTHWROIXMDZ-RYUDHWBXSA-N 0 3 289.404 2.503 20 30 CFEDHN Cc1n[nH]cc1C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000556521595 281936863 /nfs/dbraw/zinc/93/68/63/281936863.db2.gz VECUMCGUBPKZAC-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1cc(C#N)ncn1)N(C)C ZINC000557754174 281971041 /nfs/dbraw/zinc/97/10/41/281971041.db2.gz PJQZXJLBQKIUMC-DYVFJYSZSA-N 0 3 295.390 2.760 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000335810622 289236454 /nfs/dbraw/zinc/23/64/54/289236454.db2.gz NKSWPIINUQJKSC-LDYMZIIASA-N 0 3 264.325 2.638 20 30 CFEDHN N#Cc1csc(CNCCc2cccc([N+](=O)[O-])c2)c1 ZINC000158035702 289968710 /nfs/dbraw/zinc/96/87/10/289968710.db2.gz IKYPBWDOLMETFA-UHFFFAOYSA-N 0 3 287.344 2.860 20 30 CFEDHN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)cc1 ZINC000414294800 290003837 /nfs/dbraw/zinc/00/38/37/290003837.db2.gz FASLYIYSOWXVJP-GDLCADMTSA-N 0 3 280.318 2.758 20 30 CFEDHN N#Cc1ccsc1NC(=O)CN[C@H]1CC2CCC1CC2 ZINC000562424009 290042241 /nfs/dbraw/zinc/04/22/41/290042241.db2.gz AYBOYYRLWHAWCJ-XIVSLSHWSA-N 0 3 289.404 2.727 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC[C@H]2CCCCN2C2CC2)n1 ZINC000562437380 290043198 /nfs/dbraw/zinc/04/31/98/290043198.db2.gz JMKVLAVYQPDFHV-OAHLLOKOSA-N 0 3 284.407 2.999 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc(C#N)cc2Cl)C1 ZINC000269076278 290175617 /nfs/dbraw/zinc/17/56/17/290175617.db2.gz CCKRXNIZRYDUDO-GXTWGEPZSA-N 0 3 290.798 2.527 20 30 CFEDHN CCCN(Cc1cccc(C(=O)OC)c1C#N)C(C)C ZINC000564667159 290223161 /nfs/dbraw/zinc/22/31/61/290223161.db2.gz SECXGPJQLHJDCV-UHFFFAOYSA-N 0 3 274.364 2.965 20 30 CFEDHN C[C@@H]1CCC[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989316 290255292 /nfs/dbraw/zinc/25/52/92/290255292.db2.gz YMGNFJQIYOBBQD-DOMZBBRYSA-N 0 3 283.379 2.611 20 30 CFEDHN C=C(C)CCNCc1c(Br)c(C)nn1C ZINC000386676218 336177081 /nfs/dbraw/zinc/17/70/81/336177081.db2.gz HGMBQHDCXBXGRI-UHFFFAOYSA-N 0 3 272.190 2.547 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001085460181 782061642 /nfs/dbraw/zinc/06/16/42/782061642.db2.gz AGLWSJGEZFRJCT-HNNXBMFYSA-N 0 3 272.392 2.717 20 30 CFEDHN N#Cc1ccc([C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C(N)=O)cc1 ZINC000331795211 294944313 /nfs/dbraw/zinc/94/43/13/294944313.db2.gz IQHFUTRXJRQSPF-WCVJEAGWSA-N 0 3 299.374 2.682 20 30 CFEDHN CS[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@@H]1N(C)C ZINC000340757698 295651144 /nfs/dbraw/zinc/65/11/44/295651144.db2.gz ZSZPROFMZMOADV-QWHCGFSZSA-N 0 3 295.839 2.693 20 30 CFEDHN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000329785478 303224907 /nfs/dbraw/zinc/22/49/07/303224907.db2.gz PZHSLIXHXFDJIZ-RDBSUJKOSA-N 0 3 293.411 2.911 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001085475444 782073468 /nfs/dbraw/zinc/07/34/68/782073468.db2.gz AUOKVRRPOSGJSE-CQSZACIVSA-N 0 3 278.421 2.861 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001085480901 782075815 /nfs/dbraw/zinc/07/58/15/782075815.db2.gz VWUIWOYWPWGMHJ-CVEARBPZSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000359947372 328900523 /nfs/dbraw/zinc/90/05/23/328900523.db2.gz BCWZSLSICLQPKL-CYBMUJFWSA-N 0 3 266.429 2.825 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC000378758036 327756534 /nfs/dbraw/zinc/75/65/34/327756534.db2.gz UIMLAZPVODQHCE-IUCAKERBSA-N 0 3 255.774 2.968 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000185826448 327846737 /nfs/dbraw/zinc/84/67/37/327846737.db2.gz NBPMBAWSSLWXEO-HUBLWGQQSA-N 0 3 286.379 2.910 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000185881859 327849310 /nfs/dbraw/zinc/84/93/10/327849310.db2.gz QFOXJAAMAVLNDZ-CHWSQXEVSA-N 0 3 259.309 2.767 20 30 CFEDHN CCC[C@H](O)CNCc1cccc(OCCCC#N)c1 ZINC000112377504 327961659 /nfs/dbraw/zinc/96/16/59/327961659.db2.gz ADHQSTTUZBOOIN-HNNXBMFYSA-N 0 3 276.380 2.620 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000531587388 328016600 /nfs/dbraw/zinc/01/66/00/328016600.db2.gz CXXAEBWATJSUKZ-JYJNAYRXSA-N 0 3 293.455 2.895 20 30 CFEDHN CC(C)(C)OC(=O)C[C@@H]1CCCN(CCCC#N)C1 ZINC000531869543 328053221 /nfs/dbraw/zinc/05/32/21/328053221.db2.gz IVTHEKBWRZRQEF-ZDUSSCGKSA-N 0 3 266.385 2.734 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC000412040949 328102238 /nfs/dbraw/zinc/10/22/38/328102238.db2.gz MUTCHPKWYSQYNM-UHFFFAOYSA-N 0 3 289.423 2.593 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC)C1CC(C)(C)C1 ZINC000412042998 328102430 /nfs/dbraw/zinc/10/24/30/328102430.db2.gz VYDIJCKGPDZLER-CYBMUJFWSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412314947 328108458 /nfs/dbraw/zinc/10/84/58/328108458.db2.gz KWSCVLACTNVDET-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000571391153 328118823 /nfs/dbraw/zinc/11/88/23/328118823.db2.gz UALHGSDHNXUFRA-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN N#CCOc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000264610404 328160882 /nfs/dbraw/zinc/16/08/82/328160882.db2.gz JJPJHQPEFXXQCT-UHFFFAOYSA-N 0 3 296.374 2.623 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)N1CCC(C)CC1 ZINC000270256534 328192471 /nfs/dbraw/zinc/19/24/71/328192471.db2.gz GSTRIKXMTGEJFV-HNNXBMFYSA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(N2CCOC2=O)c1 ZINC000274637478 328212156 /nfs/dbraw/zinc/21/21/56/328212156.db2.gz QGTYLPRENKNURE-GUTXKFCHSA-N 0 3 299.374 2.986 20 30 CFEDHN C[C@H](CCC#N)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000276351685 328217710 /nfs/dbraw/zinc/21/77/10/328217710.db2.gz WPYJLFHJUCHECX-CQSZACIVSA-N 0 3 285.391 2.573 20 30 CFEDHN N#CCc1ccc(COC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000278799501 328230391 /nfs/dbraw/zinc/23/03/91/328230391.db2.gz RAGNKVJHYWQQJW-UHFFFAOYSA-N 0 3 298.386 2.670 20 30 CFEDHN CN(Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](C#N)C1 ZINC000278688243 328229434 /nfs/dbraw/zinc/22/94/34/328229434.db2.gz SAUGVLLFJZWYLL-WCQYABFASA-N 0 3 258.321 2.539 20 30 CFEDHN C=CCOc1ccccc1CNCCc1ncc(C)cn1 ZINC000340106626 328240962 /nfs/dbraw/zinc/24/09/62/328240962.db2.gz SNWPBPSVBFSNKM-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)CCCC#N)c1ccccc1 ZINC000290903764 328260958 /nfs/dbraw/zinc/26/09/58/328260958.db2.gz FKTPVNUINZQYEL-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN Cc1ccccc1CN1CCC(NC(=O)CCCC#N)CC1 ZINC000292808879 328273778 /nfs/dbraw/zinc/27/37/78/328273778.db2.gz YYTRIBVVOLYYMC-UHFFFAOYSA-N 0 3 299.418 2.770 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085528520 782088030 /nfs/dbraw/zinc/08/80/30/782088030.db2.gz ANBBEHBHWDXTAM-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536907 782093036 /nfs/dbraw/zinc/09/30/36/782093036.db2.gz MEOZEYMQJCMVHD-ZDUSSCGKSA-N 0 3 278.440 2.777 20 30 CFEDHN C[C@H](NCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551040 328306597 /nfs/dbraw/zinc/30/65/97/328306597.db2.gz ZTLONDZWXZJDOW-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN CCOC(=O)c1c(C)c(C)sc1NC(=O)C(C)C#N ZINC000531936148 328321642 /nfs/dbraw/zinc/32/16/42/328321642.db2.gz BLYKTUQJUIUGTK-ZETCQYMHSA-N 0 3 280.349 2.640 20 30 CFEDHN CN(CCC1CCCCC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000101565986 328356943 /nfs/dbraw/zinc/35/69/43/328356943.db2.gz YEWMKPDJPGZRCN-QGZVFWFLSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(CCO)CC1 ZINC000535068998 328383716 /nfs/dbraw/zinc/38/37/16/328383716.db2.gz LVIOLFHECALMHS-UHFFFAOYSA-N 0 3 275.392 2.846 20 30 CFEDHN N#Cc1csc(CN[C@H]2COc3ccccc3C2)c1 ZINC000177692269 323701459 /nfs/dbraw/zinc/70/14/59/323701459.db2.gz GVKHJLQZQRVEMO-CYBMUJFWSA-N 0 3 270.357 2.713 20 30 CFEDHN CC[C@H](NCc1cc(C#N)ccc1F)[C@H]1CCCO1 ZINC000182287116 323853116 /nfs/dbraw/zinc/85/31/16/323853116.db2.gz CJKAYRQTPCUJKQ-LSDHHAIUSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@H]([C@@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000388253792 324501375 /nfs/dbraw/zinc/50/13/75/324501375.db2.gz AOHLXHRIKCZFPY-NOZJJQNGSA-N 0 3 250.367 2.523 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCCc1nc2ccccc2[nH]1 ZINC000563710042 328486802 /nfs/dbraw/zinc/48/68/02/328486802.db2.gz UNXMLQRTBHNPMO-ZDUSSCGKSA-N 0 3 281.363 2.529 20 30 CFEDHN Cc1cc(OCc2nc(C#N)cs2)c(C)c(C)n1 ZINC000583213849 325269921 /nfs/dbraw/zinc/26/99/21/325269921.db2.gz GUQQCUIFKZYYSG-UHFFFAOYSA-N 0 3 259.334 2.914 20 30 CFEDHN C[C@@H]1CC[C@@]2(CCN(Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583500152 325291969 /nfs/dbraw/zinc/29/19/69/325291969.db2.gz OJXPNOVXEAECBW-CXAGYDPISA-N 0 3 295.390 2.613 20 30 CFEDHN C[C@H]1CC[C@]2(CCN(Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583500154 325292039 /nfs/dbraw/zinc/29/20/39/325292039.db2.gz OJXPNOVXEAECBW-GUYCJALGSA-N 0 3 295.390 2.613 20 30 CFEDHN CCN1C[C@H](C)N(CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000347687595 328575337 /nfs/dbraw/zinc/57/53/37/328575337.db2.gz JCIKWJZTMYNJIJ-GJZGRUSLSA-N 0 3 274.383 2.592 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186701539 326796267 /nfs/dbraw/zinc/79/62/67/326796267.db2.gz HONOGXLFVSPFFG-IUODEOHRSA-N 0 3 275.392 2.859 20 30 CFEDHN CC#CCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000557530131 327012048 /nfs/dbraw/zinc/01/20/48/327012048.db2.gz GUAHTJFFHUTAIC-KRWDZBQOSA-N 0 3 255.361 2.870 20 30 CFEDHN Cc1ccc(Cl)cc1N1CC[C@H](CNCCC#N)C1 ZINC000566004814 327109003 /nfs/dbraw/zinc/10/90/03/327109003.db2.gz FDFJRBOHTHSZRU-CYBMUJFWSA-N 0 3 277.799 2.978 20 30 CFEDHN COc1cccc(C[C@@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000566116615 327140305 /nfs/dbraw/zinc/14/03/05/327140305.db2.gz LWNKHAUIFIIHMN-UKRRQHHQSA-N 0 3 271.364 2.659 20 30 CFEDHN CC(C)(C)OC(=O)CCN1CCC(CCC#N)CC1 ZINC000564915252 327141159 /nfs/dbraw/zinc/14/11/59/327141159.db2.gz FNCBEVHMSRLICM-UHFFFAOYSA-N 0 3 266.385 2.734 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC(C)(C)CC1 ZINC000127049438 327148886 /nfs/dbraw/zinc/14/88/86/327148886.db2.gz FIPURRMYSPKCEX-YOEHRIQHSA-N 0 3 293.455 2.941 20 30 CFEDHN CCCn1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000569356491 327162026 /nfs/dbraw/zinc/16/20/26/327162026.db2.gz CWOZMUGWYPKXKX-LLVKDONJSA-N 0 3 293.330 2.659 20 30 CFEDHN C=CCCCCCN(C)Cc1cc(=O)n2ccccc2n1 ZINC000150887135 327394907 /nfs/dbraw/zinc/39/49/07/327394907.db2.gz VLUILNVNIXMYFV-UHFFFAOYSA-N 0 3 285.391 2.873 20 30 CFEDHN CC#CCN[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000561749183 327416769 /nfs/dbraw/zinc/41/67/69/327416769.db2.gz SZKNICAGKPBQIT-JKSUJKDBSA-N 0 3 257.377 2.983 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(C)CC2)CC1 ZINC000520696688 328727397 /nfs/dbraw/zinc/72/73/97/328727397.db2.gz LPZDINYUDCJOIU-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCN1CCN(c2nccc3sccc32)CC1 ZINC000358672261 328890996 /nfs/dbraw/zinc/89/09/96/328890996.db2.gz FAHXTGZSDBZBTM-UHFFFAOYSA-N 0 3 273.405 2.994 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CC)CC1 ZINC000358787784 328895097 /nfs/dbraw/zinc/89/50/97/328895097.db2.gz ODPNBQZJQNJHHB-ZBFHGGJFSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C2CC2)CC1 ZINC000377403454 329014412 /nfs/dbraw/zinc/01/44/12/329014412.db2.gz SYCPVNCAKDMLCK-MRXNPFEDSA-N 0 3 291.439 2.611 20 30 CFEDHN N#CCCCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000377508834 329017275 /nfs/dbraw/zinc/01/72/75/329017275.db2.gz CSOZYZYIMIYKQW-UHFFFAOYSA-N 0 3 285.391 2.528 20 30 CFEDHN N#CCCCN1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377567618 329019245 /nfs/dbraw/zinc/01/92/45/329019245.db2.gz QCLFCYJQNCDFGX-INIZCTEOSA-N 0 3 258.365 2.664 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@](CO)(C(C)C)C1 ZINC000378130027 329040851 /nfs/dbraw/zinc/04/08/51/329040851.db2.gz MXPZMPHPRQNXLK-GOSISDBHSA-N 0 3 287.403 2.539 20 30 CFEDHN C#CCCCCC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000378423925 329049748 /nfs/dbraw/zinc/04/97/48/329049748.db2.gz QPHUKNFKMYQCAH-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000171696146 329078640 /nfs/dbraw/zinc/07/86/40/329078640.db2.gz ILKZNDALEAHGFX-IIAWOOMASA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)SCCCC)CC1 ZINC000171715539 329079051 /nfs/dbraw/zinc/07/90/51/329079051.db2.gz ILQPRLBFAWNSLS-CYBMUJFWSA-N 0 3 284.469 2.675 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC[C@H]2C)CC1 ZINC000171725155 329079117 /nfs/dbraw/zinc/07/91/17/329079117.db2.gz RXGRJRDRTGQYQW-HUUCEWRRSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000171726167 329079177 /nfs/dbraw/zinc/07/91/77/329079177.db2.gz WBVCJDLQWXRVMC-OAHLLOKOSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000171723264 329079210 /nfs/dbraw/zinc/07/92/10/329079210.db2.gz PTIJBMGMMKRUEI-CABCVRRESA-N 0 3 293.455 2.762 20 30 CFEDHN COc1ccc(C[C@H](C)CNCC2(C#N)CC2)cc1F ZINC000582762300 329151938 /nfs/dbraw/zinc/15/19/38/329151938.db2.gz ZCQJPFQPRFCOJS-LBPRGKRZSA-N 0 3 276.355 2.906 20 30 CFEDHN C=CCC[C@H](O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000178036636 329191777 /nfs/dbraw/zinc/19/17/77/329191777.db2.gz TYWGCZBTYFCZFW-KRWDZBQOSA-N 0 3 273.376 2.808 20 30 CFEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000179396568 329204850 /nfs/dbraw/zinc/20/48/50/329204850.db2.gz JRKHGXPMNXKYDE-OAHLLOKOSA-N 0 3 288.391 2.980 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CC23CCCCC3)CC1 ZINC000180370665 329215317 /nfs/dbraw/zinc/21/53/17/329215317.db2.gz KQHIHMSEEKNOSW-HNNXBMFYSA-N 0 3 291.439 2.659 20 30 CFEDHN C[C@H](O)[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000180855575 329223432 /nfs/dbraw/zinc/22/34/32/329223432.db2.gz DKVPCOBMQMOTBU-HOCLYGCPSA-N 0 3 288.391 2.572 20 30 CFEDHN C=C(C)CN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000183047115 329246601 /nfs/dbraw/zinc/24/66/01/329246601.db2.gz UNHKQSBHRGTQSI-UHFFFAOYSA-N 0 3 272.392 2.931 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000184276477 329258442 /nfs/dbraw/zinc/25/84/42/329258442.db2.gz YLEVBJWSXSAZKF-ZDUSSCGKSA-N 0 3 278.352 2.745 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000185136888 329266451 /nfs/dbraw/zinc/26/64/51/329266451.db2.gz GIWYBRJUQQLSCN-KKUMJFAQSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185484772 329274269 /nfs/dbraw/zinc/27/42/69/329274269.db2.gz VNKHSGLRVTVZEJ-CYBMUJFWSA-N 0 3 256.353 2.884 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2N2CCOCC2)C1 ZINC000185799657 329332129 /nfs/dbraw/zinc/33/21/29/329332129.db2.gz GUXVOJJACXTZCP-NVXWUHKLSA-N 0 3 299.418 2.695 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000321292677 329340586 /nfs/dbraw/zinc/34/05/86/329340586.db2.gz HNHFEBKGWBTIMH-CMPLNLGQSA-N 0 3 255.308 2.943 20 30 CFEDHN N#CCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000397316278 329349753 /nfs/dbraw/zinc/34/97/53/329349753.db2.gz VGBAYLAWWSTLHD-UHFFFAOYSA-N 0 3 273.336 2.763 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(F)ccc1F ZINC000321448569 329358272 /nfs/dbraw/zinc/35/82/72/329358272.db2.gz NPHQDCKXAAYHFN-JQWIXIFHSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)[C@@H](NCCCNC(C)=O)c1ccc(F)c(F)c1 ZINC000187765757 329360425 /nfs/dbraw/zinc/36/04/25/329360425.db2.gz UIIODPSDXFSPLC-OAHLLOKOSA-N 0 3 282.334 2.698 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188060143 329364063 /nfs/dbraw/zinc/36/40/63/329364063.db2.gz IJPXXOKFMAWXAR-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188060121 329364077 /nfs/dbraw/zinc/36/40/77/329364077.db2.gz IJPXXOKFMAWXAR-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CCC1 ZINC000188716942 329370594 /nfs/dbraw/zinc/37/05/94/329370594.db2.gz OUMUJXBKMITMNE-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CCC1 ZINC000190406473 329396425 /nfs/dbraw/zinc/39/64/25/329396425.db2.gz MKLUUVNOOGJLTK-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN CC#CCN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418495076 329532303 /nfs/dbraw/zinc/53/23/03/329532303.db2.gz ABIRYHNBBZCTRO-KRWDZBQOSA-N 0 3 295.386 2.504 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418647715 329538333 /nfs/dbraw/zinc/53/83/33/329538333.db2.gz YIOFFZQOLBAFJQ-DOTOQJQBSA-N 0 3 299.418 2.624 20 30 CFEDHN CC[C@H](C)[C@@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000126884598 329595302 /nfs/dbraw/zinc/59/53/02/329595302.db2.gz YVRYPWRIIIPCMA-PXZKZTPFSA-N 0 3 272.392 2.607 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419358031 329719736 /nfs/dbraw/zinc/71/97/36/329719736.db2.gz PTRAMGUPPYXSJD-STQMWFEESA-N 0 3 272.392 2.905 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000248746298 329898722 /nfs/dbraw/zinc/89/87/22/329898722.db2.gz FMPWJGOCKOLMOJ-VYDXJSESSA-N 0 3 297.402 2.854 20 30 CFEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000302757142 332883874 /nfs/dbraw/zinc/88/38/74/332883874.db2.gz MBOITRZEKCKAQP-SFHVURJKSA-N 0 3 294.398 2.862 20 30 CFEDHN COc1cccc2c1OC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C2 ZINC000253354766 329962521 /nfs/dbraw/zinc/96/25/21/329962521.db2.gz ICSBEMHSPIBVEO-VHDGCEQUSA-N 0 3 286.375 2.671 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264745982 330061757 /nfs/dbraw/zinc/06/17/57/330061757.db2.gz TXLPKTZIFCHBCV-GXTWGEPZSA-N 0 3 292.810 2.820 20 30 CFEDHN CC[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000421918393 330109329 /nfs/dbraw/zinc/10/93/29/330109329.db2.gz PLJKLBPQERJYOH-ZFWWWQNUSA-N 0 3 258.365 2.921 20 30 CFEDHN C=C(C)COc1cc(CNC[C@H](O)CC)ccc1OC ZINC000422087468 330123851 /nfs/dbraw/zinc/12/38/51/330123851.db2.gz QQJYDYQBFWWHIS-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccccc2F)CC1 ZINC000170999074 330125079 /nfs/dbraw/zinc/12/50/79/330125079.db2.gz QGOPAELVQQCLCD-CYBMUJFWSA-N 0 3 290.382 2.696 20 30 CFEDHN C=CCN(CC=C)C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000422913521 330160391 /nfs/dbraw/zinc/16/03/91/330160391.db2.gz YTCNCLJXGJVMHE-HNNXBMFYSA-N 0 3 272.392 2.913 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CNCCC1(F)F)c1ccco1 ZINC000423466964 330204556 /nfs/dbraw/zinc/20/45/56/330204556.db2.gz AWSIXEWTKZENQT-WCQYABFASA-N 0 3 270.323 2.874 20 30 CFEDHN Cc1ccccc1[C@H](C)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424082605 330223888 /nfs/dbraw/zinc/22/38/88/330223888.db2.gz AFJYBSDEPXLJGW-ZFWWWQNUSA-N 0 3 273.380 2.536 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)c1cccc(C)c1C ZINC000424094248 330226523 /nfs/dbraw/zinc/22/65/23/330226523.db2.gz LJTFTIXBBKMAIV-CQSZACIVSA-N 0 3 273.380 2.678 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000424095740 330226901 /nfs/dbraw/zinc/22/69/01/330226901.db2.gz WWGQCPXUTKPUAQ-HUUCEWRRSA-N 0 3 289.354 2.510 20 30 CFEDHN CC(C)CCN(C(=O)[C@H](N)CCCC#N)C1CCCC1 ZINC000424096388 330227280 /nfs/dbraw/zinc/22/72/80/330227280.db2.gz OZOPVZWFNJMYTF-OAHLLOKOSA-N 0 3 279.428 2.825 20 30 CFEDHN Cc1cc([C@H](C)NC(=O)[C@@H](N)CCCC#N)c(C)s1 ZINC000424097303 330227801 /nfs/dbraw/zinc/22/78/01/330227801.db2.gz JNNCHEASFNSYKS-GWCFXTLKSA-N 0 3 279.409 2.563 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000424122799 330254824 /nfs/dbraw/zinc/25/48/24/330254824.db2.gz JSWOWPXHMFAEHB-IKGGRYGDSA-N 0 3 299.418 2.535 20 30 CFEDHN CC(C)n1cc2cc(NC(=O)[C@@H](N)CCCC#N)ccc2n1 ZINC000424122918 330255036 /nfs/dbraw/zinc/25/50/36/330255036.db2.gz JZPBPYCFEQQFKK-AWEZNQCLSA-N 0 3 299.378 2.577 20 30 CFEDHN CCc1ccc(CC)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424130419 330261335 /nfs/dbraw/zinc/26/13/35/330261335.db2.gz ZGDYENLFMIZKRP-CQSZACIVSA-N 0 3 273.380 2.771 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)cc1Cl ZINC000327984302 330263622 /nfs/dbraw/zinc/26/36/22/330263622.db2.gz JSHJYEWFVSXOOY-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN CC#CCCN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527578588 330264412 /nfs/dbraw/zinc/26/44/12/330264412.db2.gz WEUMMNGJLMUGEW-UHFFFAOYSA-N 0 3 288.391 2.504 20 30 CFEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CC[C@H]1c1ccccc1 ZINC000424134064 330266724 /nfs/dbraw/zinc/26/67/24/330266724.db2.gz XVRWJAQMDXQNKH-OIISXLGYSA-N 0 3 299.418 2.660 20 30 CFEDHN CC(C)CC[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424140117 330280209 /nfs/dbraw/zinc/28/02/09/330280209.db2.gz SJXOULCHXWXSSL-CABCVRRESA-N 0 3 279.428 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC[C@@H]2CC=CCC2)CC1 ZINC000527769053 330281956 /nfs/dbraw/zinc/28/19/56/330281956.db2.gz VTIYQEJDJOFUJO-OAHLLOKOSA-N 0 3 291.439 2.682 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@]2(C)OCC)c1 ZINC000527783375 330283232 /nfs/dbraw/zinc/28/32/32/330283232.db2.gz KZCRSQNQEXZEND-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCc2ccccc2)nn1 ZINC000424144620 330289881 /nfs/dbraw/zinc/28/98/81/330289881.db2.gz SNCHUCQKKQHOQV-AWEZNQCLSA-N 0 3 270.380 2.575 20 30 CFEDHN Cc1ccccc1C1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424147124 330293855 /nfs/dbraw/zinc/29/38/55/330293855.db2.gz XQZSWPDYRRVDFE-QGZVFWFLSA-N 0 3 299.418 2.722 20 30 CFEDHN CC(C)Nc1cc(F)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424151740 330297128 /nfs/dbraw/zinc/29/71/28/330297128.db2.gz HVSYMYVKAUITHK-GFCCVEGCSA-N 0 3 292.358 2.606 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000424176397 330316511 /nfs/dbraw/zinc/31/65/11/330316511.db2.gz XMVRBLWEMISDBA-WDEREUQCSA-N 0 3 288.317 2.675 20 30 CFEDHN C=CCn1cc(CNC2CCC(C)(CC)CC2)nn1 ZINC000424290726 330334767 /nfs/dbraw/zinc/33/47/67/330334767.db2.gz CABCHLURZKFWJL-UHFFFAOYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2Cc2ccccc2)nn1 ZINC000424292854 330335173 /nfs/dbraw/zinc/33/51/73/330335173.db2.gz HSHLVJVWZPQKAZ-WMZOPIPTSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCn1cc(CN[C@H](Cc2ccc(C)cc2)C2CC2)nn1 ZINC000424299071 330336769 /nfs/dbraw/zinc/33/67/69/330336769.db2.gz UTNNDNGRHJNJGL-GOSISDBHSA-N 0 3 296.418 2.883 20 30 CFEDHN COC(=O)c1csc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424316249 330339421 /nfs/dbraw/zinc/33/94/21/330339421.db2.gz AZIVBSSLEIXSPQ-JBLDHEPKSA-N 0 3 278.377 2.878 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000424333552 330342977 /nfs/dbraw/zinc/34/29/77/330342977.db2.gz UMWKDBPICODJOQ-COLVAYQJSA-N 0 3 259.328 2.954 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(OC[C@H]3CCCCO3)CC2)C1 ZINC000429682840 330551967 /nfs/dbraw/zinc/55/19/67/330551967.db2.gz IDKXDNMKMRVAHA-BFYDXBDKSA-N 0 3 292.423 2.729 20 30 CFEDHN COc1ccc2c(c1)[C@@H](NCC1(CC#N)CC1)CC2 ZINC000430754158 330573140 /nfs/dbraw/zinc/57/31/40/330573140.db2.gz LQZVTQILCKCGOM-HNNXBMFYSA-N 0 3 256.349 2.966 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000430753020 330573206 /nfs/dbraw/zinc/57/32/06/330573206.db2.gz GGGILIWFAHHRPU-OAHLLOKOSA-N 0 3 299.418 2.868 20 30 CFEDHN C=CCSCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000431809715 330589231 /nfs/dbraw/zinc/58/92/31/330589231.db2.gz MYHIFSXIWLWIAH-OAHLLOKOSA-N 0 3 292.448 2.715 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C2)CC1 ZINC000435969939 330667038 /nfs/dbraw/zinc/66/70/38/330667038.db2.gz UXPNYCLWSUNRIT-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C[C@@H](C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441037564 330758827 /nfs/dbraw/zinc/75/88/27/330758827.db2.gz HNNSQZWXFALPRZ-OAHLLOKOSA-N 0 3 293.455 2.906 20 30 CFEDHN COc1ccccc1[C@H](CN[C@H]1CC[C@H](C#N)C1)N(C)C ZINC000442633302 330777649 /nfs/dbraw/zinc/77/76/49/330777649.db2.gz INJDFDQAAZMPCU-DZKIICNBSA-N 0 3 287.407 2.580 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000442819780 330785481 /nfs/dbraw/zinc/78/54/81/330785481.db2.gz QVXQCZKWOQBTGF-WDEREUQCSA-N 0 3 299.296 2.761 20 30 CFEDHN CCN1CCN(c2ccccc2N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442859425 330787816 /nfs/dbraw/zinc/78/78/16/330787816.db2.gz ACGIDEYDJMIPPH-JKSUJKDBSA-N 0 3 298.434 2.933 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000442871004 330789051 /nfs/dbraw/zinc/78/90/51/330789051.db2.gz LFMJIDGBGISTHY-JTNHKYCSSA-N 0 3 260.312 2.931 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000448800731 330884277 /nfs/dbraw/zinc/88/42/77/330884277.db2.gz MPCKEYFCVUUVLY-WMLDXEAASA-N 0 3 291.439 2.553 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235962 330908315 /nfs/dbraw/zinc/90/83/15/330908315.db2.gz IETLYSOGZQSGSS-GXSJLCMTSA-N 0 3 271.282 2.618 20 30 CFEDHN C=CCC[C@H](CO)NCc1nc2ccc(Cl)cc2n1C ZINC000449694929 330943998 /nfs/dbraw/zinc/94/39/98/330943998.db2.gz CWQJPERBJHYYIH-GFCCVEGCSA-N 0 3 293.798 2.643 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(C(F)(F)F)s1 ZINC000449694927 330944096 /nfs/dbraw/zinc/94/40/96/330944096.db2.gz CWNZBPNULSASTR-MRVPVSSYSA-N 0 3 280.315 2.579 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OC(F)F)c(F)c1 ZINC000449696189 330944420 /nfs/dbraw/zinc/94/44/20/330944420.db2.gz HKSRFWXMGDNIKY-NSHDSACASA-N 0 3 289.297 2.844 20 30 CFEDHN C=C[C@H](CO)Nc1ccnc2ccc(CCC)cc21 ZINC000450533015 330985197 /nfs/dbraw/zinc/98/51/97/330985197.db2.gz SFTLWUBPRPQILW-CYBMUJFWSA-N 0 3 256.349 2.568 20 30 CFEDHN CCOC(=O)C[C@](C)(NCC1(C#N)CCC1)C(C)C ZINC000450760459 330998587 /nfs/dbraw/zinc/99/85/87/330998587.db2.gz QZEZFAZXILPUEO-AWEZNQCLSA-N 0 3 266.385 2.638 20 30 CFEDHN N#CC1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCC1 ZINC000450868271 331003867 /nfs/dbraw/zinc/00/38/67/331003867.db2.gz VXHIAUKNFPVEDY-MJBXVCDLSA-N 0 3 260.381 2.618 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC/C=C\c2ccccc2)C1=O ZINC000450913841 331006901 /nfs/dbraw/zinc/00/69/01/331006901.db2.gz ZRUGFYOTSDZGOK-CGICMKJESA-N 0 3 284.403 2.809 20 30 CFEDHN C[C@@H](N(C)CC#Cc1ccccc1Cl)C(C)(C)O ZINC000451364075 331025932 /nfs/dbraw/zinc/02/59/32/331025932.db2.gz CDJWTFSORXNLQU-GFCCVEGCSA-N 0 3 265.784 2.783 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](OCC)[C@@H](C)C1 ZINC000451522794 331032420 /nfs/dbraw/zinc/03/24/20/331032420.db2.gz ICQMLMGDTANFEB-JYJNAYRXSA-N 0 3 296.455 2.546 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ncc(C)c(OC)c1C ZINC000451674126 331038452 /nfs/dbraw/zinc/03/84/52/331038452.db2.gz MPKVOWBPDTZLQI-HIFRSBDPSA-N 0 3 276.380 2.530 20 30 CFEDHN CC1(C)COC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000451810045 331043280 /nfs/dbraw/zinc/04/32/80/331043280.db2.gz KIVUFRJVLFZVCG-CQSZACIVSA-N 0 3 263.768 2.706 20 30 CFEDHN N#CC1(CNC2(Cc3ccccc3)CCOCC2)CC1 ZINC000451935511 331047516 /nfs/dbraw/zinc/04/75/16/331047516.db2.gz FGDGXURWZVNOTH-UHFFFAOYSA-N 0 3 270.376 2.672 20 30 CFEDHN CC(C)(C)C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000452068219 331052743 /nfs/dbraw/zinc/05/27/43/331052743.db2.gz BOZDZKPEYDJWHN-DYVFJYSZSA-N 0 3 291.439 2.553 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](CC(C)(C)C)C1 ZINC000452077351 331053163 /nfs/dbraw/zinc/05/31/63/331053163.db2.gz KEYFUFDXHNKXBT-ZIAGYGMSSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(C)c1 ZINC000452085641 331053505 /nfs/dbraw/zinc/05/35/05/331053505.db2.gz WKTWNYSLQGVGRH-HNNXBMFYSA-N 0 3 272.392 2.846 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](COC)CC1 ZINC000452087901 331053589 /nfs/dbraw/zinc/05/35/89/331053589.db2.gz PSWXLAACBPAMTP-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](COC)CC1 ZINC000452087902 331053671 /nfs/dbraw/zinc/05/36/71/331053671.db2.gz PSWXLAACBPAMTP-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452178311 331057147 /nfs/dbraw/zinc/05/71/47/331057147.db2.gz YYLSGVCQLOALLQ-CJNGLKHVSA-N 0 3 264.413 2.531 20 30 CFEDHN CC1(F)CC(NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000452700389 331072545 /nfs/dbraw/zinc/07/25/45/331072545.db2.gz GXDBKMDFSWCCST-VQCLRJIVSA-N 0 3 274.339 2.766 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453162095 331095810 /nfs/dbraw/zinc/09/58/10/331095810.db2.gz JRLZTRGEWPMKPC-HUUCEWRRSA-N 0 3 299.418 2.922 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000453322946 331116652 /nfs/dbraw/zinc/11/66/52/331116652.db2.gz AKXLVIIPOSUWQL-ZNMIVQPWSA-N 0 3 289.375 2.842 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000453335696 331118324 /nfs/dbraw/zinc/11/83/24/331118324.db2.gz FNVOPXQXEFDJOC-CFVMTHIKSA-N 0 3 289.375 2.842 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453340753 331119075 /nfs/dbraw/zinc/11/90/75/331119075.db2.gz CJFYCNBYPARTOW-KFWWJZLASA-N 0 3 276.336 2.979 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000453342035 331119492 /nfs/dbraw/zinc/11/94/92/331119492.db2.gz FJHOJZJICUUKPR-YJBOKZPZSA-N 0 3 299.418 2.909 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000453345991 331119901 /nfs/dbraw/zinc/11/99/01/331119901.db2.gz GLAURRYYNWSUSN-XHSDSOJGSA-N 0 3 289.375 2.857 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000453346096 331120036 /nfs/dbraw/zinc/12/00/36/331120036.db2.gz GQMMCZJABCCEGB-WQAKAFBOSA-N 0 3 282.771 2.738 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000453353296 331120966 /nfs/dbraw/zinc/12/09/66/331120966.db2.gz LFZOFVOOWMJBSU-JSGCOSHPSA-N 0 3 280.387 2.869 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)cc1F ZINC000453352581 331120983 /nfs/dbraw/zinc/12/09/83/331120983.db2.gz JPMXGGIWOXLQPU-KMUNFCNLSA-N 0 3 265.328 2.828 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000453353300 331121060 /nfs/dbraw/zinc/12/10/60/331121060.db2.gz LFZOFVOOWMJBSU-TZMCWYRMSA-N 0 3 280.387 2.869 20 30 CFEDHN C=CCC[C@H]([NH2+]Cc1nnc(-c2ccccn2)[n-]1)C1CC1 ZINC000453354557 331121347 /nfs/dbraw/zinc/12/13/47/331121347.db2.gz MBFQZWLTGXRWQX-ZDUSSCGKSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](COC)c1ccc(Cl)cc1 ZINC000453365248 331123119 /nfs/dbraw/zinc/12/31/19/331123119.db2.gz RGSVGLRHBNRBBY-HUUCEWRRSA-N 0 3 283.799 2.944 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000453365302 331123196 /nfs/dbraw/zinc/12/31/96/331123196.db2.gz RLCYUCGNPKDKFJ-CMPLNLGQSA-N 0 3 283.393 2.512 20 30 CFEDHN C=CCC[C@H](CO)N[C@H]1CCc2cc(F)c(OC)cc21 ZINC000453375383 331124763 /nfs/dbraw/zinc/12/47/63/331124763.db2.gz WUZIKQIQPOUVIE-DOMZBBRYSA-N 0 3 279.355 2.738 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000453377001 331125035 /nfs/dbraw/zinc/12/50/35/331125035.db2.gz YHYCVSJPJULDAZ-ZIKOISBGSA-N 0 3 293.432 2.808 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(OC)ncc1F ZINC000453376888 331125072 /nfs/dbraw/zinc/12/50/72/331125072.db2.gz YFFTUTATFZFRME-GDLCADMTSA-N 0 3 280.343 2.614 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(C)nc1C ZINC000453380325 331125489 /nfs/dbraw/zinc/12/54/89/331125489.db2.gz ZTNFSCBWJJWKRJ-WCQGTBRESA-N 0 3 252.383 2.754 20 30 CFEDHN C=CCC[C@@H](C)N[C@@H](C)C(=O)Nc1cccnc1C ZINC000453451666 331132397 /nfs/dbraw/zinc/13/23/97/331132397.db2.gz ROHWGGLGVKCNCH-YPMHNXCESA-N 0 3 261.369 2.661 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000454549824 331148637 /nfs/dbraw/zinc/14/86/37/331148637.db2.gz QNSOAIZZZFTMLL-RDJZCZTQSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCC1(CNC(=O)NC[C@@H]2CCCN2C)CCCC1 ZINC000454627560 331150090 /nfs/dbraw/zinc/15/00/90/331150090.db2.gz HMYSOCYFVXPOGF-AWEZNQCLSA-N 0 3 279.428 2.516 20 30 CFEDHN C=C(C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000455310092 331165328 /nfs/dbraw/zinc/16/53/28/331165328.db2.gz LWJOFVXBLOSAQP-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(CF)CC1 ZINC000456091004 331184121 /nfs/dbraw/zinc/18/41/21/331184121.db2.gz SBFUFGYPRJPRMR-MRXNPFEDSA-N 0 3 288.366 2.967 20 30 CFEDHN CCc1ncc(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000456483019 331193567 /nfs/dbraw/zinc/19/35/67/331193567.db2.gz FLGWDGZBWUXEIP-AWEZNQCLSA-N 0 3 297.358 2.626 20 30 CFEDHN C=CCC1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC000456489397 331194083 /nfs/dbraw/zinc/19/40/83/331194083.db2.gz UGTJYFYSBRPDGZ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(C(=O)Nc1cccc(CC#N)c1)C(F)(F)F ZINC000456756254 331200388 /nfs/dbraw/zinc/20/03/88/331200388.db2.gz SOMXYKYKILTIEB-QMMMGPOBSA-N 0 3 256.227 2.890 20 30 CFEDHN CC(C#N)C(=O)NC1(C(C)(C)c2ccccc2)CC1 ZINC000456818718 331205597 /nfs/dbraw/zinc/20/55/97/331205597.db2.gz UZBJVZLSEDLTER-LBPRGKRZSA-N 0 3 256.349 2.773 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000456872721 331208020 /nfs/dbraw/zinc/20/80/20/331208020.db2.gz WBSBGJDELWYQEL-ULQDDVLXSA-N 0 3 282.387 2.921 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457093301 331212200 /nfs/dbraw/zinc/21/22/00/331212200.db2.gz NXBNGBTUYFOTPX-MRXNPFEDSA-N 0 3 296.455 2.691 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457097922 331212288 /nfs/dbraw/zinc/21/22/88/331212288.db2.gz SPNZWNNVPWROQL-KBPBESRZSA-N 0 3 252.402 2.530 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000458776993 331259672 /nfs/dbraw/zinc/25/96/72/331259672.db2.gz SFMQMKPSZQOOQS-KGLIPLIRSA-N 0 3 293.411 2.974 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000458812849 331261040 /nfs/dbraw/zinc/26/10/40/331261040.db2.gz RKOONXFJLLVDNT-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000458993499 331265001 /nfs/dbraw/zinc/26/50/01/331265001.db2.gz XSGKXHLPHOMIOR-RRFJBIMHSA-N 0 3 293.455 2.570 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000458993496 331265016 /nfs/dbraw/zinc/26/50/16/331265016.db2.gz XSGKXHLPHOMIOR-QLFBSQMISA-N 0 3 293.455 2.570 20 30 CFEDHN C=C(CC)CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000459078252 331269533 /nfs/dbraw/zinc/26/95/33/331269533.db2.gz NXMQBBCPMMFKGB-UHFFFAOYSA-N 0 3 279.428 2.613 20 30 CFEDHN C=C(C)CN(CCc1cn[nH]c1)Cc1cnn(C(C)C)c1 ZINC000459460676 331282623 /nfs/dbraw/zinc/28/26/23/331282623.db2.gz IYJPLGUUWIVXCZ-UHFFFAOYSA-N 0 3 287.411 2.808 20 30 CFEDHN C=CCC[C@@H](CO)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459572799 331288618 /nfs/dbraw/zinc/28/86/18/331288618.db2.gz PZGQGDXGNIMDSK-LBPRGKRZSA-N 0 3 299.798 2.861 20 30 CFEDHN OCC1(NCC#Cc2ccccc2Cl)CCSCC1 ZINC000459693284 331294757 /nfs/dbraw/zinc/29/47/57/331294757.db2.gz ISPSTXUVYKEGFX-UHFFFAOYSA-N 0 3 295.835 2.539 20 30 CFEDHN COc1ccc(CNCC(C)(C)CC#N)cc1OC ZINC000459704108 331295142 /nfs/dbraw/zinc/29/51/42/331295142.db2.gz WZAXEFPABXIYLE-UHFFFAOYSA-N 0 3 262.353 2.733 20 30 CFEDHN Cc1nn(-c2ccncc2)cc1CNCC(C)(C)CC#N ZINC000459730102 331296436 /nfs/dbraw/zinc/29/64/36/331296436.db2.gz LKCCBFWQZRSGRK-UHFFFAOYSA-N 0 3 283.379 2.605 20 30 CFEDHN Cc1cc(CNCC(C)(C)CC#N)ccc1-n1cncn1 ZINC000459733811 331296785 /nfs/dbraw/zinc/29/67/85/331296785.db2.gz QYQKQEBOUPBVSM-UHFFFAOYSA-N 0 3 283.379 2.605 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)NCC1CCC(C#N)CC1 ZINC000488574861 332018446 /nfs/dbraw/zinc/01/84/46/332018446.db2.gz JFFVORGFEYYZOA-UHFFFAOYSA-N 0 3 299.418 2.808 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)NCC(C)(C)CCC#N ZINC000489878762 332071263 /nfs/dbraw/zinc/07/12/63/332071263.db2.gz JPKBRPFMBZFCPV-UHFFFAOYSA-N 0 3 287.407 2.808 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490304003 332086558 /nfs/dbraw/zinc/08/65/58/332086558.db2.gz XNZKADGABSJILG-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](c1ccccc1Cl)C(C)C ZINC000491066491 332144375 /nfs/dbraw/zinc/14/43/75/332144375.db2.gz COQZHPZILJXFNW-MRXNPFEDSA-N 0 3 292.810 2.766 20 30 CFEDHN C#C[C@@H](NC(=O)[C@@H](CC)N(C)C)c1ccc(Cl)cc1F ZINC000491096668 332149267 /nfs/dbraw/zinc/14/92/67/332149267.db2.gz VHEFGZKEBXWVTA-ZIAGYGMSSA-N 0 3 296.773 2.610 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(O)c2nc(C)ccc12 ZINC000491191470 332162651 /nfs/dbraw/zinc/16/26/51/332162651.db2.gz DPFWWASHZKFVHO-LBPRGKRZSA-N 0 3 254.333 2.702 20 30 CFEDHN C=CC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172801023 332947384 /nfs/dbraw/zinc/94/73/84/332947384.db2.gz OLPOOUUYTRQDPS-INIZCTEOSA-N 0 3 286.375 2.910 20 30 CFEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccccc1F ZINC000491267778 332177920 /nfs/dbraw/zinc/17/79/20/332177920.db2.gz VFRGOOXPLADBDB-LBPRGKRZSA-N 0 3 257.312 2.717 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000491289087 332182599 /nfs/dbraw/zinc/18/25/99/332182599.db2.gz WOEMWOMSKYKSAL-HEHGZKQESA-N 0 3 295.810 2.732 20 30 CFEDHN C#C[C@@H](CC)NCc1cccc(OCCCOC)c1 ZINC000491546253 332235258 /nfs/dbraw/zinc/23/52/58/332235258.db2.gz UXLPCPKYHSVHFZ-HNNXBMFYSA-N 0 3 261.365 2.603 20 30 CFEDHN C#C[C@@H](N[C@H](C)CC(=O)Nc1cccc(OC)c1)C(C)C ZINC000491623565 332248037 /nfs/dbraw/zinc/24/80/37/332248037.db2.gz HFPTVGRLLNFWRQ-CZUORRHYSA-N 0 3 288.391 2.660 20 30 CFEDHN C#C[C@@H](CC)NCc1cnc(-c2ccncc2)s1 ZINC000491635400 332256088 /nfs/dbraw/zinc/25/60/88/332256088.db2.gz UYHSFWJFUQORPT-LBPRGKRZSA-N 0 3 257.362 2.707 20 30 CFEDHN C#C[C@H](NC1CCC(C(=O)OC)CC1)c1ccc(F)cc1 ZINC000491657229 332268537 /nfs/dbraw/zinc/26/85/37/332268537.db2.gz JVGOKXNDOUHIKS-BCLQGDPASA-N 0 3 289.350 2.821 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491672237 332278862 /nfs/dbraw/zinc/27/88/62/332278862.db2.gz OWIMGOHGGGDXOJ-KGLIPLIRSA-N 0 3 280.412 2.587 20 30 CFEDHN C#C[C@H](CC)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000491732180 332313600 /nfs/dbraw/zinc/31/36/00/332313600.db2.gz HGJQWJHPCJVXOL-USXIJHARSA-N 0 3 299.418 2.533 20 30 CFEDHN C#C[C@H](N[C@H](C)CCn1cccn1)c1ccc(F)cc1 ZINC000491736077 332316360 /nfs/dbraw/zinc/31/63/60/332316360.db2.gz CZVYXJLTDFPQKY-CJNGLKHVSA-N 0 3 271.339 2.765 20 30 CFEDHN C#C[C@H](CCC)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000491741065 332320003 /nfs/dbraw/zinc/32/00/03/332320003.db2.gz ZBHKCIHHHVZLQJ-CVEARBPZSA-N 0 3 272.392 2.598 20 30 CFEDHN CN(C)C/C=C\C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000491841222 332371652 /nfs/dbraw/zinc/37/16/52/332371652.db2.gz BUUXWVCZQDXHCU-WLMCBFPDSA-N 0 3 299.418 2.783 20 30 CFEDHN Cc1ccsc1[C@@H](CO)NCc1ccc(CC#N)cc1 ZINC000494656805 332482108 /nfs/dbraw/zinc/48/21/08/332482108.db2.gz QMQKPFZJGDLUBU-OAHLLOKOSA-N 0 3 286.400 2.946 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000177742201 333062488 /nfs/dbraw/zinc/06/24/88/333062488.db2.gz GGRFYLDDPSOJNA-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN CC[C@H](C)CN(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000177860493 333064216 /nfs/dbraw/zinc/06/42/16/333064216.db2.gz FTSZBLWUSVPICD-AWEZNQCLSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CCN1CCC(NC(=O)CCO[C@H](C)CC(C)C)CC1 ZINC000087318061 333082827 /nfs/dbraw/zinc/08/28/27/333082827.db2.gz BBSLRFLXNJGEJQ-OAHLLOKOSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000517056373 333091203 /nfs/dbraw/zinc/09/12/03/333091203.db2.gz VPMWJRWMFVODLI-UHFFFAOYSA-N 0 3 291.351 2.666 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccnc(OC)c1 ZINC000517104201 333092828 /nfs/dbraw/zinc/09/28/28/333092828.db2.gz FTRGWXSNNGXQTQ-LLVKDONJSA-N 0 3 252.383 2.660 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000185940970 333152268 /nfs/dbraw/zinc/15/22/68/333152268.db2.gz XOZIIUFCEWYXBU-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCNC(=O)CN(Cc1cccc(C)c1)CC(C)C ZINC000521821612 333190230 /nfs/dbraw/zinc/19/02/30/333190230.db2.gz LXYSVJFDORWIMN-UHFFFAOYSA-N 0 3 274.408 2.755 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)Cc1cccc(O)c1 ZINC000522282771 333278853 /nfs/dbraw/zinc/27/88/53/333278853.db2.gz LNPHLZYHNGPZHQ-UHFFFAOYSA-N 0 3 288.391 2.925 20 30 CFEDHN CCC[C@@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000522590605 333291807 /nfs/dbraw/zinc/29/18/07/333291807.db2.gz SYZPHNUZISWLJF-KRWDZBQOSA-N 0 3 299.418 2.707 20 30 CFEDHN C=C[C@@H](C)NCc1ccc(I)cc1 ZINC000229206899 333301907 /nfs/dbraw/zinc/30/19/07/333301907.db2.gz XHBXWJZWBMPFGQ-SECBINFHSA-N 0 3 287.144 2.955 20 30 CFEDHN Cc1nc(-c2ccc(CNC(=O)C(C)C#N)cc2)cs1 ZINC000522979385 333302695 /nfs/dbraw/zinc/30/26/95/333302695.db2.gz NMPANUNKWHFXDK-SNVBAGLBSA-N 0 3 285.372 2.894 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC)c(OC(F)F)c1 ZINC000229884598 333310851 /nfs/dbraw/zinc/31/08/51/333310851.db2.gz SZULMLDJXAGZBG-LLVKDONJSA-N 0 3 269.291 2.798 20 30 CFEDHN CC(C)[C@H](CNC[C@@H](C)C#N)CNC(=O)OC(C)(C)C ZINC000230944006 333322869 /nfs/dbraw/zinc/32/28/69/333322869.db2.gz VQIAELBQPUHECT-QWHCGFSZSA-N 0 3 283.416 2.533 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000523414510 333326027 /nfs/dbraw/zinc/32/60/27/333326027.db2.gz CSCGWFWWGVZESL-BPLDGKMQSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CC[C@@H](OC)C1 ZINC000231680235 333327933 /nfs/dbraw/zinc/32/79/33/333327933.db2.gz CZOAPVGHLLZZJF-LSDHHAIUSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000523605360 333333771 /nfs/dbraw/zinc/33/37/71/333333771.db2.gz ZACAWHMISPJXNA-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000524811714 333388967 /nfs/dbraw/zinc/38/89/67/333388967.db2.gz LSALHBFZYJQJJQ-ZOBUZTSGSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCCCN1CCN(c2cccc(O)c2)CC1 ZINC000575986692 335138538 /nfs/dbraw/zinc/13/85/38/335138538.db2.gz UQVPWKLHLAKSIW-UHFFFAOYSA-N 0 3 260.381 2.871 20 30 CFEDHN CO[C@@H](Cc1ccc(F)cc1)CN1CCC(C#N)CC1 ZINC000528365964 333416245 /nfs/dbraw/zinc/41/62/45/333416245.db2.gz NNGMSFXBCYSSRY-INIZCTEOSA-N 0 3 276.355 2.619 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2cccc(F)c2)CC1 ZINC000528574077 333446612 /nfs/dbraw/zinc/44/66/12/333446612.db2.gz IVIPRHZREFATEI-OAHLLOKOSA-N 0 3 293.382 2.996 20 30 CFEDHN C=CCC(C)(C)CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000576030310 335143471 /nfs/dbraw/zinc/14/34/71/335143471.db2.gz VHPSEUWWIBJMKA-UHFFFAOYSA-N 0 3 299.411 2.791 20 30 CFEDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336977 333543297 /nfs/dbraw/zinc/54/32/97/333543297.db2.gz XKPLXBIBXAXPKQ-BBRMVZONSA-N 0 3 297.402 2.678 20 30 CFEDHN CC#CCNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000540341011 333726434 /nfs/dbraw/zinc/72/64/34/333726434.db2.gz FNMLFHSZZWFKDH-UHFFFAOYSA-N 0 3 271.360 2.840 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000546225501 334020162 /nfs/dbraw/zinc/02/01/62/334020162.db2.gz OQEUDMLPPWBWBZ-KDOFPFPSSA-N 0 3 299.418 2.763 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]2CCC[C@@H]21 ZINC000075768932 334050784 /nfs/dbraw/zinc/05/07/84/334050784.db2.gz JOUMCWCWKIXSQU-CABCVRRESA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC(C)(C)C)C(C)C ZINC000134014246 334077259 /nfs/dbraw/zinc/07/72/59/334077259.db2.gz ZUQDLEWYIKENAS-CQSZACIVSA-N 0 3 281.444 2.783 20 30 CFEDHN C=C(C)COCCNCc1c(C)nn(CCC)c1C ZINC000134502355 334092310 /nfs/dbraw/zinc/09/23/10/334092310.db2.gz WSXMHHYVMMWDFM-UHFFFAOYSA-N 0 3 265.401 2.592 20 30 CFEDHN C=CCOc1ccccc1CNCCC(=O)NC(C)(C)C ZINC000134593763 334096558 /nfs/dbraw/zinc/09/65/58/334096558.db2.gz QGPHXEWMYCHATB-UHFFFAOYSA-N 0 3 290.407 2.646 20 30 CFEDHN C=CC[C@@H](C(=O)NCCN1CC[C@H](C)C1)c1ccccc1 ZINC000547654123 334106390 /nfs/dbraw/zinc/10/63/90/334106390.db2.gz DXPZPQOTMIROSN-DOTOQJQBSA-N 0 3 286.419 2.804 20 30 CFEDHN CC(C)CN1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134948827 334109355 /nfs/dbraw/zinc/10/93/55/334109355.db2.gz AMNPKYTVLDNZGJ-UHFFFAOYSA-N 0 3 290.838 2.965 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000548095736 334139737 /nfs/dbraw/zinc/13/97/37/334139737.db2.gz UCXOHERGVCFEGV-CYBMUJFWSA-N 0 3 251.374 2.707 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H](CN1CCCC1)c1ccccc1 ZINC000548781968 334173789 /nfs/dbraw/zinc/17/37/89/334173789.db2.gz NOJXKMRNQSWYOA-SJLPKXTDSA-N 0 3 296.418 2.857 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC000245854909 334221731 /nfs/dbraw/zinc/22/17/31/334221731.db2.gz GXTJQJWBRJUSMZ-ZIAGYGMSSA-N 0 3 252.402 2.722 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000246821480 334270219 /nfs/dbraw/zinc/27/02/19/334270219.db2.gz WHMKLZUZBPXSJX-HZPDHXFCSA-N 0 3 293.455 2.753 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000249514255 334335327 /nfs/dbraw/zinc/33/53/27/334335327.db2.gz ANJSNFJRJGKEMJ-CABCVRRESA-N 0 3 281.444 2.714 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000554576095 334440233 /nfs/dbraw/zinc/44/02/33/334440233.db2.gz PXNBUMUNBRIWPO-KGLIPLIRSA-N 0 3 297.320 2.806 20 30 CFEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(CC#N)cc1 ZINC000567269632 334699766 /nfs/dbraw/zinc/69/97/66/334699766.db2.gz PNWKGFCOWQHUMR-CYBMUJFWSA-N 0 3 288.391 2.963 20 30 CFEDHN N#CCCCNC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000567710895 334754227 /nfs/dbraw/zinc/75/42/27/334754227.db2.gz VCERYZOPMOIRHL-ZDUSSCGKSA-N 0 3 286.297 2.502 20 30 CFEDHN C[C@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)CO1 ZINC000567854013 334768664 /nfs/dbraw/zinc/76/86/64/334768664.db2.gz WLEMEYGSHFVPSJ-DZGCQCFKSA-N 0 3 274.364 2.636 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000576612046 335226554 /nfs/dbraw/zinc/22/65/54/335226554.db2.gz BMCAVFODXAQDMB-KBMXLJTQSA-N 0 3 253.349 2.823 20 30 CFEDHN COC1CCC(CCNC[C@H](C#N)CCC#N)CC1 ZINC000577386319 335346293 /nfs/dbraw/zinc/34/62/93/335346293.db2.gz TXSWZHNOVUHHBC-SLTAFYQDSA-N 0 3 263.385 2.615 20 30 CFEDHN COc1ccc([C@H](CCC#N)N[C@H]2CO[C@H](C)C2)cc1 ZINC000579472361 335767121 /nfs/dbraw/zinc/76/71/21/335767121.db2.gz PQXIPUIEFMBYNW-XPKDYRNWSA-N 0 3 274.364 2.807 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCCc2ccc(SC)cc21 ZINC000581251311 336032122 /nfs/dbraw/zinc/03/21/22/336032122.db2.gz MFOSRFVOJLZTDC-OAHLLOKOSA-N 0 3 290.432 2.678 20 30 CFEDHN C=CCCCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000581487635 336088206 /nfs/dbraw/zinc/08/82/06/336088206.db2.gz YFXNWAFLXUDZEJ-MRXNPFEDSA-N 0 3 287.407 2.610 20 30 CFEDHN C=CCCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000581588958 336107955 /nfs/dbraw/zinc/10/79/55/336107955.db2.gz LNQCYPNUOMGJTR-ZDUSSCGKSA-N 0 3 290.367 2.832 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C)cc1OC ZINC000581649495 336117683 /nfs/dbraw/zinc/11/76/83/336117683.db2.gz VKTJPMMSQZAOIQ-CFVMTHIKSA-N 0 3 261.365 2.998 20 30 CFEDHN C=CC(C)(C)CNCc1c(Br)c(C)nn1C ZINC000384835425 336132345 /nfs/dbraw/zinc/13/23/45/336132345.db2.gz GQKMWLRHSFQTAM-UHFFFAOYSA-N 0 3 286.217 2.793 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001085581949 782109500 /nfs/dbraw/zinc/10/95/00/782109500.db2.gz XRFUBJLLOILJGQ-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085609728 782113398 /nfs/dbraw/zinc/11/33/98/782113398.db2.gz YPTGHCXPSAKYLY-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085642013 782123309 /nfs/dbraw/zinc/12/33/09/782123309.db2.gz BNRCCBBDFHSRQA-CYBMUJFWSA-N 0 3 294.345 2.687 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nccc2occc21 ZINC001085737809 782146686 /nfs/dbraw/zinc/14/66/86/782146686.db2.gz YWDNKDHHARXMGZ-CYBMUJFWSA-N 0 3 299.374 2.550 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000333257338 501029342 /nfs/dbraw/zinc/02/93/42/501029342.db2.gz DKOWLFJGWBUOKV-WFASDCNBSA-N 0 3 298.390 2.536 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncc(C#N)cc1F ZINC000413136397 533737773 /nfs/dbraw/zinc/73/77/73/533737773.db2.gz OARGMYFDEDTMOZ-VXGBXAGGSA-N 0 3 276.359 2.767 20 30 CFEDHN C[C@H](NCC1(CCO)CC1)c1ccc(C#N)cc1F ZINC000427983429 533831868 /nfs/dbraw/zinc/83/18/68/533831868.db2.gz UITVNIFMOOCXJR-NSHDSACASA-N 0 3 262.328 2.511 20 30 CFEDHN Cc1cn[nH]c1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425367799 533992054 /nfs/dbraw/zinc/99/20/54/533992054.db2.gz UTVUNJIBOGSXET-GFCCVEGCSA-N 0 3 254.337 2.783 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)c(F)c1 ZINC000336597743 534281633 /nfs/dbraw/zinc/28/16/33/534281633.db2.gz HCRVADANMUKAKT-MRVPVSSYSA-N 0 3 299.143 2.706 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](COc1ccccc1F)C(C)(C)C ZINC000347103430 534283688 /nfs/dbraw/zinc/28/36/88/534283688.db2.gz JIKLWVDHGPHIPW-RISCZKNCSA-N 0 3 292.354 2.895 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccccc2)CC1 ZINC000182406845 518858622 /nfs/dbraw/zinc/85/86/22/518858622.db2.gz GQFIQUOXJXMRBV-CQSZACIVSA-N 0 3 272.392 2.557 20 30 CFEDHN CC(C)(O)C(C)(C)NCc1ccc(C#N)cc1Cl ZINC000221121125 519337112 /nfs/dbraw/zinc/33/71/12/519337112.db2.gz WHLAHHDNKMKQIM-UHFFFAOYSA-N 0 3 266.772 2.851 20 30 CFEDHN CC(C)CC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000151733326 519632073 /nfs/dbraw/zinc/63/20/73/519632073.db2.gz CGWZIZBEAFMSTL-MRXNPFEDSA-N 0 3 299.418 2.891 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000226266575 520427796 /nfs/dbraw/zinc/42/77/96/520427796.db2.gz BLZPNBSVONXISQ-QWHCGFSZSA-N 0 3 264.394 2.913 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000174509385 520549577 /nfs/dbraw/zinc/54/95/77/520549577.db2.gz VIILMRYSZUDBHL-KGLIPLIRSA-N 0 3 260.337 2.589 20 30 CFEDHN CCN(CCOCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000079400214 521148175 /nfs/dbraw/zinc/14/81/75/521148175.db2.gz QWADZOKTEUIMME-CQSZACIVSA-N 0 3 276.380 2.604 20 30 CFEDHN CNC(=O)c1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000079070602 521819146 /nfs/dbraw/zinc/81/91/46/521819146.db2.gz PWSANAZLZCLTFL-ZDUSSCGKSA-N 0 3 293.370 2.769 20 30 CFEDHN CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000361469943 522484563 /nfs/dbraw/zinc/48/45/63/522484563.db2.gz PNIWZAIJVUCWSM-MRXNPFEDSA-N 0 3 299.418 2.685 20 30 CFEDHN CN(CCC(=O)OC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC000192070303 522687089 /nfs/dbraw/zinc/68/70/89/522687089.db2.gz MGLNTSCZDRCTBQ-UHFFFAOYSA-N 0 3 292.354 2.861 20 30 CFEDHN COC(=O)C(C)(C)CCN(C)Cc1cccc(C#N)c1 ZINC000338546890 522750631 /nfs/dbraw/zinc/75/06/31/522750631.db2.gz SPRQCVABSGVIPT-UHFFFAOYSA-N 0 3 274.364 2.579 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000192179513 522871083 /nfs/dbraw/zinc/87/10/83/522871083.db2.gz SALHSQRHARNSMX-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1cc(Cl)ccc1C#N ZINC000092631029 523121547 /nfs/dbraw/zinc/12/15/47/523121547.db2.gz ALXMPTSFWGCWIP-CYBMUJFWSA-N 0 3 263.772 2.742 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCCC[C@H]1O ZINC000305807530 523519075 /nfs/dbraw/zinc/51/90/75/523519075.db2.gz KMYZHDBBFIUYFC-GDBMZVCRSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000156259807 523524539 /nfs/dbraw/zinc/52/45/39/523524539.db2.gz HBCRVPIXWMRAGG-AWEZNQCLSA-N 0 3 296.374 2.670 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@H]2CCCCN2C[C@H]1C ZINC000360341656 523527140 /nfs/dbraw/zinc/52/71/40/523527140.db2.gz GZCQYKJEQAJVIW-RHSMWYFYSA-N 0 3 299.418 2.625 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1CCCC[C@H]1OC ZINC000361768167 523530163 /nfs/dbraw/zinc/53/01/63/523530163.db2.gz YNEVMGIYAADPFS-GOEBONIOSA-N 0 3 274.364 2.614 20 30 CFEDHN COCCN(Cc1ccc(C#N)c(F)c1)CC(C)C ZINC000191942069 523742098 /nfs/dbraw/zinc/74/20/98/523742098.db2.gz QRHQPKGEVHVKNC-UHFFFAOYSA-N 0 3 264.344 2.802 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000227598689 524021093 /nfs/dbraw/zinc/02/10/93/524021093.db2.gz KAKSTTCXXPOQJH-KBPBESRZSA-N 0 3 262.328 2.600 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193447736 524388862 /nfs/dbraw/zinc/38/88/62/524388862.db2.gz CATOTIPOMWRKMK-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN Cc1cc(CN2CC[C@@H](c3nccn3C)C2)ccc1C#N ZINC000334951388 524705111 /nfs/dbraw/zinc/70/51/11/524705111.db2.gz NXSMTNRLUFMKLT-MRXNPFEDSA-N 0 3 280.375 2.590 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000166716951 525225539 /nfs/dbraw/zinc/22/55/39/525225539.db2.gz OVVVWFHFADZVNX-MCIONIFRSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@H](NCC[S@](=O)C(C)(C)C)c1cccc(C#N)c1 ZINC000181764986 525365346 /nfs/dbraw/zinc/36/53/46/525365346.db2.gz UZNFKDJOESEXEP-BUXKBTBVSA-N 0 3 278.421 2.756 20 30 CFEDHN C[C@@H](NCCOCC(F)(F)F)c1ccc(C#N)cc1 ZINC000049311007 525451424 /nfs/dbraw/zinc/45/14/24/525451424.db2.gz LNVJQEPPDWTANZ-SNVBAGLBSA-N 0 3 272.270 2.788 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000339971493 526180591 /nfs/dbraw/zinc/18/05/91/526180591.db2.gz YOBXZHZDXXFDDA-HNNXBMFYSA-N 0 3 296.374 2.526 20 30 CFEDHN CC#CCCNCc1ccnn1-c1ccccc1C ZINC000354629650 526337948 /nfs/dbraw/zinc/33/79/48/526337948.db2.gz KDHAGKXJYZTRMH-UHFFFAOYSA-N 0 3 253.349 2.684 20 30 CFEDHN CC#CCCNCc1conc1Cc1ccccc1 ZINC000352819763 526338170 /nfs/dbraw/zinc/33/81/70/526338170.db2.gz XQKHIEAHBRXQAD-UHFFFAOYSA-N 0 3 254.333 2.768 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(C)(CC(C)C)CC2)C1=O ZINC000344015306 526504783 /nfs/dbraw/zinc/50/47/83/526504783.db2.gz RJXPFTFKOWHGKQ-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](COCC)C1 ZINC000113939484 526536400 /nfs/dbraw/zinc/53/64/00/526536400.db2.gz VLWMHFDUJQOLIH-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C23CCC(CC2)C3)CC1 ZINC000344819262 526582191 /nfs/dbraw/zinc/58/21/91/526582191.db2.gz BZGIVTHJDHSZGT-UHFFFAOYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[C@H](C)C2)CC1 ZINC000353719959 526591754 /nfs/dbraw/zinc/59/17/54/526591754.db2.gz KIBSUPDZGHIAEC-GJZGRUSLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000106038993 526599588 /nfs/dbraw/zinc/59/95/88/526599588.db2.gz GUWQEYGEQXZLAZ-UHFFFAOYSA-N 0 3 294.345 2.735 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000334797552 526617788 /nfs/dbraw/zinc/61/77/88/526617788.db2.gz TUHFWMKJICHOBO-ZWKOTPCHSA-N 0 3 284.403 2.931 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC ZINC001085789316 782164206 /nfs/dbraw/zinc/16/42/06/782164206.db2.gz FNALLSNYHTVXST-INIZCTEOSA-N 0 3 286.419 2.971 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccccc2)cc1 ZINC000072938440 526675554 /nfs/dbraw/zinc/67/55/54/526675554.db2.gz WZGARGYYNZUXCN-UHFFFAOYSA-N 0 3 252.317 2.727 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CO)CC(F)F ZINC000360873153 526690942 /nfs/dbraw/zinc/69/09/42/526690942.db2.gz ONBGYCOLJOQVDI-UKRRQHHQSA-N 0 3 294.345 2.931 20 30 CFEDHN N#Cc1ccc2ncc(CN3C[C@H]4CCCC[C@@H]4C3)n2c1 ZINC000093441940 526693290 /nfs/dbraw/zinc/69/32/90/526693290.db2.gz XUOMIBFLVCBCHS-HUUCEWRRSA-N 0 3 280.375 2.828 20 30 CFEDHN N#Cc1cccc(CN2CCC(n3cccn3)CC2)c1 ZINC000361524467 526702847 /nfs/dbraw/zinc/70/28/47/526702847.db2.gz FFRYJMPNLODKSV-UHFFFAOYSA-N 0 3 266.348 2.592 20 30 CFEDHN N#Cc1cccc(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000336117902 526708989 /nfs/dbraw/zinc/70/89/89/526708989.db2.gz MRQHIGKOLKBVQZ-HNNXBMFYSA-N 0 3 264.328 2.521 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000337279793 526710014 /nfs/dbraw/zinc/71/00/14/526710014.db2.gz GUPMFBMUANIVLS-CHWSQXEVSA-N 0 3 266.291 2.808 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000185488109 526710011 /nfs/dbraw/zinc/71/00/11/526710011.db2.gz OTRLLCYNKAFRBC-AWEZNQCLSA-N 0 3 264.413 2.745 20 30 CFEDHN Cc1nsc(N[C@@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000360961821 526716136 /nfs/dbraw/zinc/71/61/36/526716136.db2.gz VGBCGVXEHSNFGO-QWRGUYRKSA-N 0 3 278.425 2.856 20 30 CFEDHN N#Cc1cccc(OCCN2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000363411726 526727950 /nfs/dbraw/zinc/72/79/50/526727950.db2.gz MCQJMGCMIOQVLR-DLBZAZTESA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000336479692 526736076 /nfs/dbraw/zinc/73/60/76/526736076.db2.gz HJCQCDOLOCEPPE-QGZVFWFLSA-N 0 3 270.376 2.951 20 30 CFEDHN C=CCOc1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000353727621 526869529 /nfs/dbraw/zinc/86/95/29/526869529.db2.gz ZZSVMOYQKKUFHI-AWEZNQCLSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)CC2(C)C)c1 ZINC000353671078 526899881 /nfs/dbraw/zinc/89/98/81/526899881.db2.gz JKYREBDKIXNEBA-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](c3nc(C)no3)C2)c1 ZINC000344834728 526902145 /nfs/dbraw/zinc/90/21/45/526902145.db2.gz SGWBZQYERVIPME-HNNXBMFYSA-N 0 3 299.374 2.932 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H](CO)CC1 ZINC000354688187 526931896 /nfs/dbraw/zinc/93/18/96/526931896.db2.gz GFYKOLDRKCIKPG-OAHLLOKOSA-N 0 3 275.392 2.846 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000352507939 527013269 /nfs/dbraw/zinc/01/32/69/527013269.db2.gz FGBSAIQHLGZBKI-MCIONIFRSA-N 0 3 266.429 2.966 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000354644838 527044347 /nfs/dbraw/zinc/04/43/47/527044347.db2.gz UJVFCQYIBWFTLE-HIFRSBDPSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](COC)c1cccc(Cl)c1 ZINC000353355951 527083295 /nfs/dbraw/zinc/08/32/95/527083295.db2.gz UDTISBHVOCUJSR-IUODEOHRSA-N 0 3 283.799 2.802 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000347748870 527155923 /nfs/dbraw/zinc/15/59/23/527155923.db2.gz HSZHHXXXJBNPKM-ILXRZTDVSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCCCN(CC)CC(=O)N1CCCCCC1 ZINC000353188124 527195751 /nfs/dbraw/zinc/19/57/51/527195751.db2.gz YIWICRWOOGLNTG-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353264249 527368358 /nfs/dbraw/zinc/36/83/58/527368358.db2.gz KRRQEIFOLFKNLT-MRXNPFEDSA-N 0 3 256.349 2.728 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344622393 527385922 /nfs/dbraw/zinc/38/59/22/527385922.db2.gz UHHNWMIKJKKLHF-OAHLLOKOSA-N 0 3 289.423 2.524 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000353574019 527441819 /nfs/dbraw/zinc/44/18/19/527441819.db2.gz IYCCEPRHXHCMEE-JSGCOSHPSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCC[C@@H](NCCc1cnccn1)c1ccco1 ZINC000353589788 527447201 /nfs/dbraw/zinc/44/72/01/527447201.db2.gz HOXDSYBTDSBDPA-CQSZACIVSA-N 0 3 257.337 2.909 20 30 CFEDHN C=CCC[C@@H](N[C@H](C)CCN1CCOCC1)c1ccco1 ZINC000353622345 527451713 /nfs/dbraw/zinc/45/17/13/527451713.db2.gz NYSCEHPOMGZGCG-HZPDHXFCSA-N 0 3 292.423 2.987 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccc(OC)cc1)C1CC1 ZINC000036102298 527454000 /nfs/dbraw/zinc/45/40/00/527454000.db2.gz GVGRRRIFLUUZNC-MRXNPFEDSA-N 0 3 275.392 2.987 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000347161711 527465687 /nfs/dbraw/zinc/46/56/87/527465687.db2.gz RUVYDRVAMGUZPA-MNOVXSKESA-N 0 3 278.318 2.561 20 30 CFEDHN C=C[C@H](CO)NC1CC(c2ccccc2Cl)C1 ZINC000353571609 527591994 /nfs/dbraw/zinc/59/19/94/527591994.db2.gz IBVZPHBLGKWOEP-MOENNCHZSA-N 0 3 251.757 2.723 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000353572597 527593318 /nfs/dbraw/zinc/59/33/18/527593318.db2.gz SQNPCIAAJBMEPF-CMPLNLGQSA-N 0 3 289.297 2.825 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000344243714 527638716 /nfs/dbraw/zinc/63/87/16/527638716.db2.gz QDVCHFPDJGPJBU-MRXNPFEDSA-N 0 3 276.424 2.984 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(OC)cc1 ZINC000114723907 527642477 /nfs/dbraw/zinc/64/24/77/527642477.db2.gz JOOUUGJHNZVWDM-UHFFFAOYSA-N 0 3 274.364 2.698 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@@H]1C)C(C)C ZINC000347774720 527649928 /nfs/dbraw/zinc/64/99/28/527649928.db2.gz JVDFLTVMUPAQAB-HRCADAONSA-N 0 3 293.455 2.783 20 30 CFEDHN CC(C)NC(=O)[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000414342226 527711952 /nfs/dbraw/zinc/71/19/52/527711952.db2.gz LYHTUKHPRFILGE-SUMWQHHRSA-N 0 3 299.418 2.828 20 30 CFEDHN CC(C)CCOc1ccccc1CNC(=O)C(C)C#N ZINC000347132388 527788690 /nfs/dbraw/zinc/78/86/90/527788690.db2.gz JJXOLIOLHIDDNP-CYBMUJFWSA-N 0 3 274.364 2.887 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)[C@@H]1SC ZINC000421349381 527837285 /nfs/dbraw/zinc/83/72/85/527837285.db2.gz IPKCHEHYULSPGQ-UPJWGTAASA-N 0 3 282.434 2.618 20 30 CFEDHN CCO[C@H]1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000414148217 528102561 /nfs/dbraw/zinc/10/25/61/528102561.db2.gz ROJGWAAKTCBVIM-WCFLWFBJSA-N 0 3 262.328 2.915 20 30 CFEDHN CCN(CC1(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355019715 528318935 /nfs/dbraw/zinc/31/89/35/528318935.db2.gz VUPGWOVRWUSCSC-QGZVFWFLSA-N 0 3 283.419 2.887 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(CC)(CC)C1 ZINC000347530904 528619277 /nfs/dbraw/zinc/61/92/77/528619277.db2.gz VIWQNWOCMPQRSE-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN CCCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354481182 528736555 /nfs/dbraw/zinc/73/65/55/528736555.db2.gz XZNYWRILGCJXEQ-CQSZACIVSA-N 0 3 281.315 2.755 20 30 CFEDHN CCN(Cc1ccc(C(=O)N[C@@H](C#N)C(C)C)cc1)C1CC1 ZINC000347519347 528776204 /nfs/dbraw/zinc/77/62/04/528776204.db2.gz NTYIRCONPYTGAZ-KRWDZBQOSA-N 0 3 299.418 2.949 20 30 CFEDHN CCN(Cc1cccc(Cl)c1)C(=O)C(C)C#N ZINC000347062687 528804606 /nfs/dbraw/zinc/80/46/06/528804606.db2.gz GMMCFDFYBGXOIC-JTQLQIEISA-N 0 3 250.729 2.848 20 30 CFEDHN CCOC[C@H](NCc1cc(C#N)cs1)C(C)C ZINC000188870174 528992409 /nfs/dbraw/zinc/99/24/09/528992409.db2.gz DNEQMDPWUSEZJW-ZDUSSCGKSA-N 0 3 252.383 2.770 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC000330180115 529019860 /nfs/dbraw/zinc/01/98/60/529019860.db2.gz NCMWQVVENDIJDZ-OLZOCXBDSA-N 0 3 281.400 2.715 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@@H](O)C(C)C ZINC000414519456 529182081 /nfs/dbraw/zinc/18/20/81/529182081.db2.gz CIQZFKPNGYQLFR-OLZOCXBDSA-N 0 3 252.383 2.505 20 30 CFEDHN CC1([C@@H]2CCCN(CC#Cc3ccccc3)C2)OCCO1 ZINC000192175741 535205471 /nfs/dbraw/zinc/20/54/71/535205471.db2.gz QCWFYWYHLCMMDD-QGZVFWFLSA-N 0 3 285.387 2.513 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000191616748 535294738 /nfs/dbraw/zinc/29/47/38/535294738.db2.gz NOMBJDWMELOOFW-CVEARBPZSA-N 0 3 275.396 2.580 20 30 CFEDHN CN(C)C1(CN(C)C(=O)/C=C\c2ccc(C#N)cc2)CCC1 ZINC000492016132 536110953 /nfs/dbraw/zinc/11/09/53/536110953.db2.gz MUZKHSDXOGJDJA-KTKRTIGZSA-N 0 3 297.402 2.514 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](OC)C12CCC2 ZINC000459753201 536646206 /nfs/dbraw/zinc/64/62/06/536646206.db2.gz IVUWSLRAVMPZQI-JKSUJKDBSA-N 0 3 286.375 2.614 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000459798765 536797015 /nfs/dbraw/zinc/79/70/15/536797015.db2.gz XWYPOLASGFAKKT-CHWSQXEVSA-N 0 3 262.378 2.667 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCCC[C@@H]1CCO ZINC000342044864 536878330 /nfs/dbraw/zinc/87/83/30/536878330.db2.gz GNVMUMHGHCBRJG-MRXNPFEDSA-N 0 3 288.391 2.694 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837040 782178767 /nfs/dbraw/zinc/17/87/67/782178767.db2.gz ARCWSZQIQDLDPJ-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC000935104261 649875977 /nfs/dbraw/zinc/87/59/77/649875977.db2.gz ZKSFRWTWRSSBKL-IRXDYDNUSA-N 0 3 284.403 2.740 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085840532 782179970 /nfs/dbraw/zinc/17/99/70/782179970.db2.gz KJYKDZQSMSJUPM-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN CC(Cc1cccc(F)c1)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753934847 574055940 /nfs/dbraw/zinc/05/59/40/574055940.db2.gz KVABNJGZFIEHSM-GASCZTMLSA-N 0 3 288.370 2.604 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C)cc1 ZINC000753941045 574056990 /nfs/dbraw/zinc/05/69/90/574056990.db2.gz WHOMJGLTNRIEIO-GASCZTMLSA-N 0 3 270.380 2.579 20 30 CFEDHN C[C@H]1CC(N=Nc2nncc3ccccc32)CN1C1CC1 ZINC000753955220 574058801 /nfs/dbraw/zinc/05/88/01/574058801.db2.gz LCZRTFNWGJECRT-NSHDSACASA-N 0 3 281.363 2.654 20 30 CFEDHN C#Cc1cccc(NC(=S)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000753967063 574060201 /nfs/dbraw/zinc/06/02/01/574060201.db2.gz YPJAQYLECUIDCV-DOMZBBRYSA-N 0 3 299.443 2.580 20 30 CFEDHN C#Cc1cccc(NC(=S)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000753967068 574060281 /nfs/dbraw/zinc/06/02/81/574060281.db2.gz YPJAQYLECUIDCV-IUODEOHRSA-N 0 3 299.443 2.580 20 30 CFEDHN Cc1ccc(C2=CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000736666723 574064490 /nfs/dbraw/zinc/06/44/90/574064490.db2.gz JLMRMPGAIKCUBC-ZDUSSCGKSA-N 0 3 254.333 2.770 20 30 CFEDHN Cc1ccc(C2=CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000736666718 574064569 /nfs/dbraw/zinc/06/45/69/574064569.db2.gz JLMRMPGAIKCUBC-CYBMUJFWSA-N 0 3 254.333 2.770 20 30 CFEDHN C#CCOCCN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000753760485 574074887 /nfs/dbraw/zinc/07/48/87/574074887.db2.gz KNBBILGJBPKUNE-INIZCTEOSA-N 0 3 261.340 2.825 20 30 CFEDHN CC(C)(C)[C@H]1C[C@H](NCc2ccc(C#N)cn2)CS1 ZINC000754150531 574078048 /nfs/dbraw/zinc/07/80/48/574078048.db2.gz TUYCCGUKIXKOEV-UONOGXRCSA-N 0 3 275.421 2.963 20 30 CFEDHN COC[C@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000756233170 574085029 /nfs/dbraw/zinc/08/50/29/574085029.db2.gz AGQGRJFEERZVGY-GHMZBOCLSA-N 0 3 272.304 2.677 20 30 CFEDHN CC(C)N1CC(N=Nc2ncnc3sccc32)[C@H](C)C1 ZINC000754260690 574085333 /nfs/dbraw/zinc/08/53/33/574085333.db2.gz WKMUSFCLHRTFTN-SNVBAGLBSA-N 0 3 289.408 2.819 20 30 CFEDHN COc1ccc(N=NC2CN(C3CC3)C[C@H]2C)cc1 ZINC000750946016 574088383 /nfs/dbraw/zinc/08/83/83/574088383.db2.gz MCCNTEMFFJISIM-LLVKDONJSA-N 0 3 259.353 2.577 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cocn2)c([O-])c1 ZINC000730733349 574093782 /nfs/dbraw/zinc/09/37/82/574093782.db2.gz YDFJMBMUPIIJKP-LZYBPNLTSA-N 0 3 273.336 2.846 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@](C)(CC)c2ccccc2)CC1 ZINC000730763435 574095724 /nfs/dbraw/zinc/09/57/24/574095724.db2.gz AZTHVSIQHGVJJV-IBGZPJMESA-N 0 3 298.430 2.773 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC(=C)Cl)C(C)C ZINC000737037822 574099242 /nfs/dbraw/zinc/09/92/42/574099242.db2.gz SECZRGHYOHIVKE-AWEZNQCLSA-N 0 3 299.846 2.737 20 30 CFEDHN COC(=O)C[C@H](N[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000754541790 574101199 /nfs/dbraw/zinc/10/11/99/574101199.db2.gz SAFMYESMRDKAOK-ABAIWWIYSA-N 0 3 272.348 2.551 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000731135508 574111014 /nfs/dbraw/zinc/11/10/14/574111014.db2.gz AVWCYVDZPREQCQ-GOEBONIOSA-N 0 3 296.370 2.508 20 30 CFEDHN C=CCc1cc(CN2CCCOC[C@H]2C)c(O)c(OC)c1 ZINC000754740096 574118158 /nfs/dbraw/zinc/11/81/58/574118158.db2.gz JEWWKUCHWCZFCJ-CYBMUJFWSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCc1cc(CN2CCOC[C@H](C)C2)c(O)c(OC)c1 ZINC000754747768 574118242 /nfs/dbraw/zinc/11/82/42/574118242.db2.gz BVKVDOAIVBHPKC-CYBMUJFWSA-N 0 3 291.391 2.598 20 30 CFEDHN C[C@H](CC#N)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000731485119 574121925 /nfs/dbraw/zinc/12/19/25/574121925.db2.gz YILFOGBMLZMRNJ-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C=C(C)CNC(=S)NC[C@H](C)N(C)Cc1ccccc1 ZINC000731942905 574134586 /nfs/dbraw/zinc/13/45/86/574134586.db2.gz VETWSSAXWKTKAE-AWEZNQCLSA-N 0 3 291.464 2.547 20 30 CFEDHN C#CCNC(=O)CN(CCC)[C@H](CC)c1ccccc1 ZINC000746145998 574137363 /nfs/dbraw/zinc/13/73/63/574137363.db2.gz YYJATARGYTZEMQ-MRXNPFEDSA-N 0 3 272.392 2.599 20 30 CFEDHN COc1ccc(CCNN=C(C)c2ccc(N)cc2)cc1 ZINC000737439907 574141408 /nfs/dbraw/zinc/14/14/08/574141408.db2.gz NQXSLVKINSSJJD-UHFFFAOYSA-N 0 3 283.375 2.834 20 30 CFEDHN C[C@@H]1OCC[C@]1(C)NCc1cc(Cl)ccc1OCC#N ZINC000755171270 574144238 /nfs/dbraw/zinc/14/42/38/574144238.db2.gz ZLIDCDCPONTWFO-NHYWBVRUSA-N 0 3 294.782 2.899 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2ccc(CCC)cc2)CC1 ZINC000740738085 574171351 /nfs/dbraw/zinc/17/13/51/574171351.db2.gz TZOGGMWMAMPZQT-UHFFFAOYSA-N 0 3 298.430 2.857 20 30 CFEDHN Cc1ncc(C=CC(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899653 574177147 /nfs/dbraw/zinc/17/71/47/574177147.db2.gz AAYIJDPHQXKCPJ-DSYXLKISSA-N 0 3 298.371 2.748 20 30 CFEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000747108340 574180513 /nfs/dbraw/zinc/18/05/13/574180513.db2.gz MUOYJRKYXVNNKO-HNNXBMFYSA-N 0 3 296.326 2.868 20 30 CFEDHN N#CC(C(=O)C1CCSCC1)c1nc2ccccc2[nH]1 ZINC000733053000 574184579 /nfs/dbraw/zinc/18/45/79/574184579.db2.gz HUIVVSSADVQMRF-NSHDSACASA-N 0 3 285.372 2.882 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)C#Cc1ccccc1 ZINC000747377623 574193151 /nfs/dbraw/zinc/19/31/51/574193151.db2.gz QKLAVTLKKRACDG-GOSISDBHSA-N 0 3 298.430 2.809 20 30 CFEDHN CCCCCCCCN1CCN(C(C)(C)CO)CC1 ZINC000747840921 574215068 /nfs/dbraw/zinc/21/50/68/574215068.db2.gz SXZXNWGIJQYQKI-UHFFFAOYSA-N 0 3 270.461 2.735 20 30 CFEDHN CC(C)CN(CCC#N)CCCCCn1cccn1 ZINC000739915246 574228963 /nfs/dbraw/zinc/22/89/63/574228963.db2.gz XOJXCPAMPUXIJD-UHFFFAOYSA-N 0 3 262.401 2.925 20 30 CFEDHN C=CCN1CCC(NC(=S)N[C@H]2CCCC[C@H]2C)CC1 ZINC000729942537 574239582 /nfs/dbraw/zinc/23/95/82/574239582.db2.gz IOGRGLAUQDDGSN-HIFRSBDPSA-N 0 3 295.496 2.680 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2ccccc2F)CC1 ZINC000729977209 574240688 /nfs/dbraw/zinc/24/06/88/574240688.db2.gz OEZSAFVINGTPNV-FPLPWBNLSA-N 0 3 288.366 2.606 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000730019567 574241894 /nfs/dbraw/zinc/24/18/94/574241894.db2.gz LJPCXCWRNFJZIK-UHFFFAOYSA-N 0 3 290.407 2.531 20 30 CFEDHN CCCN(CC(=O)NCCC#N)[C@H](CC)c1ccccc1 ZINC000746145426 574259249 /nfs/dbraw/zinc/25/92/49/574259249.db2.gz NHWXGZOYNVMCEK-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000740735992 574265092 /nfs/dbraw/zinc/26/50/92/574265092.db2.gz YSTIPWANZBLKLX-UHFFFAOYSA-N 0 3 296.370 2.650 20 30 CFEDHN C#CCCCNCc1c(C)nn(CC(C)C)c1OCC ZINC000742385124 574279703 /nfs/dbraw/zinc/27/97/03/574279703.db2.gz OIXVGOGBUFZQMJ-UHFFFAOYSA-N 0 3 277.412 2.749 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)c2c(F)cccc2F)s1 ZINC000749110229 574280261 /nfs/dbraw/zinc/28/02/61/574280261.db2.gz BBFGHYZDCZYELS-ZDUSSCGKSA-N 0 3 294.326 2.721 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C)ns2)CC1 ZINC000749116188 574280745 /nfs/dbraw/zinc/28/07/45/574280745.db2.gz XMHSELZARMMZEZ-UHFFFAOYSA-N 0 3 294.424 2.614 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC000749514598 574298777 /nfs/dbraw/zinc/29/87/77/574298777.db2.gz ORJHPKBBIGJNSD-SFHVURJKSA-N 0 3 295.386 2.817 20 30 CFEDHN CCCCCCCCOCC(=O)N[C@H]1CCCN(C)C1 ZINC000741688461 574298870 /nfs/dbraw/zinc/29/88/70/574298870.db2.gz MHXKWRMBBMJPHG-HNNXBMFYSA-N 0 3 284.444 2.574 20 30 CFEDHN CC#CCN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000741779274 574302542 /nfs/dbraw/zinc/30/25/42/574302542.db2.gz SMYZMOFMGWRQSN-AWEZNQCLSA-N 0 3 280.412 2.589 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206621 574316416 /nfs/dbraw/zinc/31/64/16/574316416.db2.gz MGUDXPMEMUJDTC-GEXIGZQTSA-N 0 3 286.331 2.699 20 30 CFEDHN CC(C)N(Cc1cc(Cl)ccc1OCC#N)C[C@H](C)O ZINC000735309215 574320556 /nfs/dbraw/zinc/32/05/56/574320556.db2.gz JGADHXJJYDFGBU-LBPRGKRZSA-N 0 3 296.798 2.834 20 30 CFEDHN N#Cc1cc2ccccc2nc1N1CC[C@H](N2CC=CC2)C1 ZINC000750029135 574321695 /nfs/dbraw/zinc/32/16/95/574321695.db2.gz BLEIOKWOKQBYII-INIZCTEOSA-N 0 3 290.370 2.557 20 30 CFEDHN C[C@@H]1CCCN1CCNc1ncc(C#N)cc1Cl ZINC000742427996 574329919 /nfs/dbraw/zinc/32/99/19/574329919.db2.gz XIDFQTJGTWWYAI-SNVBAGLBSA-N 0 3 264.760 2.503 20 30 CFEDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1cccc(C#N)c1 ZINC000743497338 574366993 /nfs/dbraw/zinc/36/69/93/574366993.db2.gz VZLSBXDHITVDBU-NSHDSACASA-N 0 3 296.326 2.843 20 30 CFEDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccc(C#N)c1 ZINC000743497338 574366995 /nfs/dbraw/zinc/36/69/95/574366995.db2.gz VZLSBXDHITVDBU-NSHDSACASA-N 0 3 296.326 2.843 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccc(OC(F)F)cc1 ZINC000752165302 574388660 /nfs/dbraw/zinc/38/86/60/574388660.db2.gz PTYTXXHSBBTIIZ-VIFPVBQESA-N 0 3 269.295 2.637 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1nccc2sccc21 ZINC000752164710 574388797 /nfs/dbraw/zinc/38/87/97/574388797.db2.gz OVENXWNYPXJSEZ-VIFPVBQESA-N 0 3 260.366 2.646 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000752741372 574394327 /nfs/dbraw/zinc/39/43/27/574394327.db2.gz IBAFBZSZRKOOFX-NSHDSACASA-N 0 3 260.312 2.691 20 30 CFEDHN CCC#C[C@H](C)N(C)CCOc1ccccc1OC ZINC000752856507 574395810 /nfs/dbraw/zinc/39/58/10/574395810.db2.gz QSAMBGVCEKAISK-AWEZNQCLSA-N 0 3 261.365 2.808 20 30 CFEDHN Cc1ccc(N(C)[C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000753049543 574397948 /nfs/dbraw/zinc/39/79/48/574397948.db2.gz XPYDUKBBUNFABZ-ZBFHGGJFSA-N 0 3 285.391 2.582 20 30 CFEDHN CCCCCCN(C)CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000753158780 574399599 /nfs/dbraw/zinc/39/95/99/574399599.db2.gz BBUUKHFOKYJAES-INIZCTEOSA-N 0 3 279.428 2.651 20 30 CFEDHN C#CCOCCN[C@@H](CC)c1cc(F)ccc1F ZINC000753762472 574409819 /nfs/dbraw/zinc/40/98/19/574409819.db2.gz RTQWTIQUZZHDFO-AWEZNQCLSA-N 0 3 253.292 2.655 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC[C@H](C)F)C2)C1 ZINC001008463986 651148917 /nfs/dbraw/zinc/14/89/17/651148917.db2.gz LGFDQNIYRSIDTL-KBPBESRZSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC000900425535 620675021 /nfs/dbraw/zinc/67/50/21/620675021.db2.gz RCRUYYFRXFFFLT-NEPJUHHUSA-N 0 3 290.329 2.580 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC000900425539 620675308 /nfs/dbraw/zinc/67/53/08/620675308.db2.gz RCRUYYFRXFFFLT-RYUDHWBXSA-N 0 3 290.329 2.580 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009097170 651155749 /nfs/dbraw/zinc/15/57/49/651155749.db2.gz QQFHDUQGIFVGHA-CQSZACIVSA-N 0 3 282.403 2.816 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2sc(C)cc2C)CC1 ZINC000900600731 620693371 /nfs/dbraw/zinc/69/33/71/620693371.db2.gz ZZEHQIIILQXCQY-UHFFFAOYSA-N 0 3 292.448 2.674 20 30 CFEDHN C#CCCC[N@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841475 608355784 /nfs/dbraw/zinc/35/57/84/608355784.db2.gz NZXFRCBBQSCZNH-ZDUSSCGKSA-N 0 3 283.379 2.663 20 30 CFEDHN C#CCCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841475 608355781 /nfs/dbraw/zinc/35/57/81/608355781.db2.gz NZXFRCBBQSCZNH-ZDUSSCGKSA-N 0 3 283.379 2.663 20 30 CFEDHN C#CCCC[N@H+](CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841475 608355782 /nfs/dbraw/zinc/35/57/82/608355782.db2.gz NZXFRCBBQSCZNH-ZDUSSCGKSA-N 0 3 283.379 2.663 20 30 CFEDHN C#CCCC[N@@H+](CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841475 608355783 /nfs/dbraw/zinc/35/57/83/608355783.db2.gz NZXFRCBBQSCZNH-ZDUSSCGKSA-N 0 3 283.379 2.663 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)o2)CC1(Cl)Cl ZINC000824765326 623560438 /nfs/dbraw/zinc/56/04/38/623560438.db2.gz KHEKXIMIOYYWPM-JTQLQIEISA-N 0 3 259.136 2.825 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C)c3ccccc23)C1 ZINC000970107007 612965575 /nfs/dbraw/zinc/96/55/75/612965575.db2.gz NRJFYTITOKBVLJ-OAHLLOKOSA-N 0 3 292.382 2.586 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000969735543 612996644 /nfs/dbraw/zinc/99/66/44/612996644.db2.gz VJBZBHQJFOAEKE-JKSUJKDBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967498895 613013401 /nfs/dbraw/zinc/01/34/01/613013401.db2.gz PJYWOLDPBQITMP-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965453633 613015032 /nfs/dbraw/zinc/01/50/32/613015032.db2.gz UVRCTZTZCNZKEK-NVXWUHKLSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC000968588796 613015545 /nfs/dbraw/zinc/01/55/45/613015545.db2.gz NUZFXXJNRGPCDH-SJLPKXTDSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968215022 613022772 /nfs/dbraw/zinc/02/27/72/613022772.db2.gz UWRCIAWYQSWSLU-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968606760 613024843 /nfs/dbraw/zinc/02/48/43/613024843.db2.gz JGBKMCBQFJKTCJ-MAUKXSAKSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977545399 613032339 /nfs/dbraw/zinc/03/23/39/613032339.db2.gz OKNONUPVUWPKQL-QGZVFWFLSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974626721 613037886 /nfs/dbraw/zinc/03/78/86/613037886.db2.gz ZBMOAYIODFFMIU-YJBOKZPZSA-N 0 3 288.435 2.583 20 30 CFEDHN C/C=C(/C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971305331 613117040 /nfs/dbraw/zinc/11/70/40/613117040.db2.gz OHHHYEPEAYMOKF-SHDIAVBESA-N 0 3 297.402 2.557 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000948693344 613162513 /nfs/dbraw/zinc/16/25/13/613162513.db2.gz JZKKEAMRJVLIBR-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2=CCCCCC2)CC1 ZINC000948326562 613177740 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C#CCN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)[C@H](C)C1 ZINC000942585551 613235771 /nfs/dbraw/zinc/23/57/71/613235771.db2.gz HHDYQVWQWQAZGX-CRAIPNDOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCCCCCC2)C[C@@H]1C ZINC000947529244 613257862 /nfs/dbraw/zinc/25/78/62/613257862.db2.gz RLFWBIDEYRFSEQ-RDJZCZTQSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCCCCCC2)C[C@H]1C ZINC000947529245 613258148 /nfs/dbraw/zinc/25/81/48/613258148.db2.gz RLFWBIDEYRFSEQ-WBVHZDCISA-N 0 3 290.451 2.949 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000969219092 613298655 /nfs/dbraw/zinc/29/86/55/613298655.db2.gz LQZNBMASYPGVMD-CYBMUJFWSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC000969714232 613300408 /nfs/dbraw/zinc/30/04/08/613300408.db2.gz QCSSNFSFRYEQOL-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cscc2C)C1 ZINC000969452966 613303925 /nfs/dbraw/zinc/30/39/25/613303925.db2.gz RYLWKEXQNRMWKM-LBPRGKRZSA-N 0 3 278.421 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C=CCN1CC[C@@H](NC(=O)c2oc(C)cc2C)C[C@H]1C ZINC000947165344 613762440 /nfs/dbraw/zinc/76/24/40/613762440.db2.gz FGLKUEPNGCDOST-TZMCWYRMSA-N 0 3 276.380 2.665 20 30 CFEDHN C=CCN1CC[C@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965448886 613771755 /nfs/dbraw/zinc/77/17/55/613771755.db2.gz MCOHNJYBMQHXNH-GOEBONIOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000941025768 613784997 /nfs/dbraw/zinc/78/49/97/613784997.db2.gz GSNHLZDEHFRYPW-HIFRSBDPSA-N 0 3 290.407 2.786 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959769 613785078 /nfs/dbraw/zinc/78/50/78/613785078.db2.gz QJHCDPWFFAMTTM-WMLDXEAASA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H](C)C1 ZINC000942390617 613785746 /nfs/dbraw/zinc/78/57/46/613785746.db2.gz BIMZJMOWCBTEMO-ABAIWWIYSA-N 0 3 290.407 2.831 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2)C(C)(C)C1 ZINC000940535564 613791259 /nfs/dbraw/zinc/79/12/59/613791259.db2.gz LQFVJCIOIXVCEJ-HNNXBMFYSA-N 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/nfs/dbraw/zinc/84/23/04/613842304.db2.gz UEQIMIMIYCNLIE-FVQHAEBGSA-N 0 3 284.403 2.656 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C(C)C ZINC000962700772 613844748 /nfs/dbraw/zinc/84/47/48/613844748.db2.gz MRKMLONMDNYCQL-WDNDVIMCSA-N 0 3 290.432 2.718 20 30 CFEDHN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000940496953 614436583 /nfs/dbraw/zinc/43/65/83/614436583.db2.gz DHFBQRPSULXQPO-INIZCTEOSA-N 0 3 299.418 2.685 20 30 CFEDHN CCCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000960369775 614773379 /nfs/dbraw/zinc/77/33/79/614773379.db2.gz FMABBFQHAZWKIH-KRWDZBQOSA-N 0 3 299.418 2.781 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001022500779 617882948 /nfs/dbraw/zinc/88/29/48/617882948.db2.gz CPPAERDKEZSWTI-BETUJISGSA-N 0 3 282.815 2.556 20 30 CFEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCCC2)C1 ZINC001021507214 618035246 /nfs/dbraw/zinc/03/52/46/618035246.db2.gz WQDQRPIITMSGCS-IRXDYDNUSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001022132527 617642099 /nfs/dbraw/zinc/64/20/99/617642099.db2.gz IWKWZKKCTMPYSD-GUTXKFCHSA-N 0 3 282.815 2.722 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccccc2CC)C1 ZINC001020518737 617687960 /nfs/dbraw/zinc/68/79/60/617687960.db2.gz SOJIOUCIZVCCNJ-HDJSIYSDSA-N 0 3 292.810 2.852 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@]2(C)CCC[C@@H]2C)C1 ZINC001020555278 617703664 /nfs/dbraw/zinc/70/36/64/617703664.db2.gz CMGQSGSEYDGSRK-NHULGOKLSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001022289389 617723903 /nfs/dbraw/zinc/72/39/03/617723903.db2.gz XBJOWVTZBAZXEO-WZSRBFQBSA-N 0 3 282.815 2.556 20 30 CFEDHN O=C1C=COC2(CCN(Cc3ccccc3)CC2)C1 ZINC000933659428 617741488 /nfs/dbraw/zinc/74/14/88/617741488.db2.gz YGHVWZPAQNNKTA-UHFFFAOYSA-N 0 3 257.333 2.524 20 30 CFEDHN CC[C@@H](NCCO[C@@H](C)C#N)c1cc(F)ccc1OC ZINC000932468296 617783133 /nfs/dbraw/zinc/78/31/33/617783133.db2.gz HMBHEMHVXXDUIN-SMDDNHRTSA-N 0 3 280.343 2.804 20 30 CFEDHN CC[C@H](NCCO[C@H](C)C#N)c1cc(F)ccc1OC ZINC000932468295 617783226 /nfs/dbraw/zinc/78/32/26/617783226.db2.gz HMBHEMHVXXDUIN-RISCZKNCSA-N 0 3 280.343 2.804 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001022381889 617784316 /nfs/dbraw/zinc/78/43/16/617784316.db2.gz YBRGVNJOLCOZGD-TXEJJXNPSA-N 0 3 298.839 2.968 20 30 CFEDHN C=CCCCCNCc1nc(Br)c[nH]1 ZINC000308702869 617793260 /nfs/dbraw/zinc/79/32/60/617793260.db2.gz VPDXPTFUYMBUTR-UHFFFAOYSA-N 0 3 258.163 2.618 20 30 CFEDHN C#CCOc1ccccc1CNCCOC(C)(C)C ZINC000308699325 617793550 /nfs/dbraw/zinc/79/35/50/617793550.db2.gz VXPLZNUCTCHXKC-UHFFFAOYSA-N 0 3 261.365 2.603 20 30 CFEDHN COC1CCC(CN(CCC#N)CC2CC2)CC1 ZINC000891937910 617838769 /nfs/dbraw/zinc/83/87/69/617838769.db2.gz USFPIAYVAWAYPO-UHFFFAOYSA-N 0 3 250.386 2.817 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001021003546 617900572 /nfs/dbraw/zinc/90/05/72/617900572.db2.gz IRYPYPCOPWGFBV-HDJSIYSDSA-N 0 3 292.810 2.906 20 30 CFEDHN CCCCCC[C@@H](C)NN=C(C)c1c[nH]c(N)n1 ZINC000901194705 620762715 /nfs/dbraw/zinc/76/27/15/620762715.db2.gz NLFZEGVMAKUSMG-SNVBAGLBSA-N 0 3 251.378 2.664 20 30 CFEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021506869 618034426 /nfs/dbraw/zinc/03/44/26/618034426.db2.gz UHEXEFCYVMUEHA-MSOLQXFVSA-N 0 3 296.414 2.636 20 30 CFEDHN C=CC[C@H]1CCN1[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000934458840 618038555 /nfs/dbraw/zinc/03/85/55/618038555.db2.gz BGINQSUTZCTKLH-DLBZAZTESA-N 0 3 284.403 2.828 20 30 CFEDHN C=CC(C)(C)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000891266604 618088560 /nfs/dbraw/zinc/08/85/60/618088560.db2.gz FFZUFFLXPVTUQP-UHFFFAOYSA-N 0 3 271.364 2.985 20 30 CFEDHN Cc1nn(C(C)C)c(C)c1C=NNc1ccnc(C)c1 ZINC000901268044 620778824 /nfs/dbraw/zinc/77/88/24/620778824.db2.gz RTOGMHXBFAZHFJ-UHFFFAOYSA-N 0 3 271.368 2.652 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001023004321 618144644 /nfs/dbraw/zinc/14/46/44/618144644.db2.gz GJGULZKGFSHDQX-BETUJISGSA-N 0 3 299.201 2.943 20 30 CFEDHN C[C@@H]1CC(NN=Cc2ccc3c(c2)CCN3C)C[C@@H](C)O1 ZINC000901308539 620781920 /nfs/dbraw/zinc/78/19/20/620781920.db2.gz UPVOMSNRQLPJID-CHWSQXEVSA-N 0 3 287.407 2.558 20 30 CFEDHN COc1ccccc1OCCN(C)CCC(C)(C)C#N ZINC000157741787 618182450 /nfs/dbraw/zinc/18/24/50/618182450.db2.gz HZEJTBSOMADOKD-UHFFFAOYSA-N 0 3 276.380 2.946 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001023336620 618182952 /nfs/dbraw/zinc/18/29/52/618182952.db2.gz JRXAVYBPCCPRDW-NSHDSACASA-N 0 3 282.771 2.561 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(F)cc2F)CCC1 ZINC000933301516 618194835 /nfs/dbraw/zinc/19/48/35/618194835.db2.gz OMSXHSHYQQPHOF-LLVKDONJSA-N 0 3 292.329 2.827 20 30 CFEDHN C#CCC1(N[C@@H](C)c2ccc(C(=O)OC)o2)CCC1 ZINC000933302095 618195152 /nfs/dbraw/zinc/19/51/52/618195152.db2.gz RUXWRKVUDGDKAF-NSHDSACASA-N 0 3 261.321 2.663 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cnn(C)n1 ZINC000926591655 618224430 /nfs/dbraw/zinc/22/44/30/618224430.db2.gz MZBMQYGFHSBILV-UKRRQHHQSA-N 0 3 270.380 2.653 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)c2cccc(F)c2)s1 ZINC000176956606 618246908 /nfs/dbraw/zinc/24/69/08/618246908.db2.gz ZFMXYFFTAKTZIB-CQSZACIVSA-N 0 3 276.336 2.582 20 30 CFEDHN C=C(Br)CN1CCC[C@@]1(CO)CC(C)C ZINC000191656477 618276109 /nfs/dbraw/zinc/27/61/09/618276109.db2.gz ZHFRCAGTAVKRLR-LBPRGKRZSA-N 0 3 276.218 2.768 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001024308315 618291396 /nfs/dbraw/zinc/29/13/96/618291396.db2.gz DUIJXUUROZHXKJ-INIZCTEOSA-N 0 3 290.382 2.986 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001024333178 618294871 /nfs/dbraw/zinc/29/48/71/618294871.db2.gz NCVITMJHBCFMCC-INIZCTEOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C1CCC(C(=O)C(C#N)C(=O)NCCCCC)CC1 ZINC000892464809 618306532 /nfs/dbraw/zinc/30/65/32/618306532.db2.gz KATZAMXDHOCTFB-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024411890 618312365 /nfs/dbraw/zinc/31/23/65/618312365.db2.gz VZLHFGHBQMDKJG-QGZVFWFLSA-N 0 3 288.435 2.871 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](OCC(C)C)C1 ZINC000091964463 618328214 /nfs/dbraw/zinc/32/82/14/618328214.db2.gz PVNWCDFMTHIESX-KRWDZBQOSA-N 0 3 287.403 2.946 20 30 CFEDHN CCOC(=O)C(C)(C)ON=Cc1ccc(N(C)C)cc1C ZINC000841640513 618330512 /nfs/dbraw/zinc/33/05/12/618330512.db2.gz GWNWEKJSJWVUBM-UHFFFAOYSA-N 0 3 292.379 2.753 20 30 CFEDHN CCc1nn(C)c(CC)c1CN[C@@H](C)CC(C)(C)C#N ZINC000925628381 618355015 /nfs/dbraw/zinc/35/50/15/618355015.db2.gz FAWCVXHEGWIJLY-LBPRGKRZSA-N 0 3 276.428 2.963 20 30 CFEDHN C[C@]1(Br)C[C@H]1CNCC1(C#N)CCCC1 ZINC000895140805 618373369 /nfs/dbraw/zinc/37/33/69/618373369.db2.gz HBRUOTVEMORHOE-QWRGUYRKSA-N 0 3 271.202 2.833 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024608449 618413897 /nfs/dbraw/zinc/41/38/97/618413897.db2.gz PMRYYEZKPPWHLX-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccnc1C ZINC001024625204 618424345 /nfs/dbraw/zinc/42/43/45/618424345.db2.gz KNZJKNADPHHSIY-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001024636280 618428550 /nfs/dbraw/zinc/42/85/50/618428550.db2.gz QYBXZWLCBOHGDB-JZXOWHBKSA-N 0 3 288.435 2.561 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635495 618428644 /nfs/dbraw/zinc/42/86/44/618428644.db2.gz GEKYMIMELHIHND-GFCCVEGCSA-N 0 3 295.814 2.829 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635496 618428784 /nfs/dbraw/zinc/42/87/84/618428784.db2.gz GEKYMIMELHIHND-LBPRGKRZSA-N 0 3 295.814 2.829 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001024671777 618437473 /nfs/dbraw/zinc/43/74/73/618437473.db2.gz LMIHWJKCJCRCLI-KRWDZBQOSA-N 0 3 298.430 2.911 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cn(C)nc2C2CCCC2)C1 ZINC000895203435 618467453 /nfs/dbraw/zinc/46/74/53/618467453.db2.gz POYWEVHIWKDJKL-AWEZNQCLSA-N 0 3 271.408 2.923 20 30 CFEDHN CCN(CC)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877929189 618474969 /nfs/dbraw/zinc/47/49/69/618474969.db2.gz ABNNGQOOWXZTIL-INIZCTEOSA-N 0 3 258.365 2.769 20 30 CFEDHN C#CC1(O)CCN(Cc2cc3cccc(CC)c3o2)CC1 ZINC000895385968 618562528 /nfs/dbraw/zinc/56/25/28/618562528.db2.gz QXUUULCGPFZFLQ-UHFFFAOYSA-N 0 3 283.371 2.955 20 30 CFEDHN Cc1ccnc(N)c1CN(C)CCc1cccc(C#N)c1 ZINC000895452372 618594431 /nfs/dbraw/zinc/59/44/31/618594431.db2.gz VOWRFKPTNULZNI-UHFFFAOYSA-N 0 3 280.375 2.518 20 30 CFEDHN C=C1CCC(C(=O)C(C#N)C(=O)NC2CCCC2)CC1 ZINC000892530151 618611676 /nfs/dbraw/zinc/61/16/76/618611676.db2.gz IZKSJPSBOHJSDE-CQSZACIVSA-N 0 3 274.364 2.500 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000892778960 618745695 /nfs/dbraw/zinc/74/56/95/618745695.db2.gz OCWLPNHSYZBDFG-HNAYVOBHSA-N 0 3 298.430 2.947 20 30 CFEDHN C#CCSCCNCc1cnc(CC(F)(F)F)s1 ZINC000892990871 618793032 /nfs/dbraw/zinc/79/30/32/618793032.db2.gz ARCCTRYDQNZTIY-UHFFFAOYSA-N 0 3 294.367 2.704 20 30 CFEDHN CC[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930607178 618887996 /nfs/dbraw/zinc/88/79/96/618887996.db2.gz LHRJLNAPUSCZEP-DZGCQCFKSA-N 0 3 278.783 2.804 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001009601742 619003046 /nfs/dbraw/zinc/00/30/46/619003046.db2.gz HQWTYCIIDSKGTN-IAGOWNOFSA-N 0 3 298.430 2.702 20 30 CFEDHN COc1cccc(/C=N/CCN(C)Cc2ccccc2)c1O ZINC000066887662 619006019 /nfs/dbraw/zinc/00/60/19/619006019.db2.gz KPCCAXRXWXFQGG-CPNJWEJPSA-N 0 3 298.386 2.952 20 30 CFEDHN C=C1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000893875636 619233413 /nfs/dbraw/zinc/23/34/13/619233413.db2.gz UWDXUMBGTDZUOH-IRXDYDNUSA-N 0 3 299.418 2.793 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000893878090 619234084 /nfs/dbraw/zinc/23/40/84/619234084.db2.gz NWXBGZFJLYQFTO-LSDHHAIUSA-N 0 3 287.407 2.696 20 30 CFEDHN C#CCNC(=O)CN1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000738340744 619331090 /nfs/dbraw/zinc/33/10/90/619331090.db2.gz OTYXQPHSZFBKST-QAPCUYQASA-N 0 3 284.403 2.517 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1C1CCCC1)C(C)C ZINC000894388009 619363714 /nfs/dbraw/zinc/36/37/14/619363714.db2.gz YXHVNRSUVYWQSB-HNNXBMFYSA-N 0 3 259.397 2.825 20 30 CFEDHN C#C[C@H](NC1CCC(C)(O)CC1)c1ccc(F)cc1 ZINC000894575127 619422246 /nfs/dbraw/zinc/42/22/46/619422246.db2.gz PTXKGBSYTFXZRB-PCKAHOCUSA-N 0 3 261.340 2.783 20 30 CFEDHN Cc1ncsc1CCNCC#Cc1ccccc1 ZINC000894707089 619448757 /nfs/dbraw/zinc/44/87/57/619448757.db2.gz VSMFQYCWCCPCCH-UHFFFAOYSA-N 0 3 256.374 2.635 20 30 CFEDHN C#CCC1(O)CCN(Cc2cnc3c(F)cccc3c2)CC1 ZINC000895669528 619582448 /nfs/dbraw/zinc/58/24/48/619582448.db2.gz CNLJYFBKJFRKRK-UHFFFAOYSA-N 0 3 298.361 2.724 20 30 CFEDHN C#CCN(C[C@@H]1CCN(c2ccccc2)C1)C1CSC1 ZINC000895814049 619613504 /nfs/dbraw/zinc/61/35/04/619613504.db2.gz KKRDELPGVICAGP-HNNXBMFYSA-N 0 3 286.444 2.564 20 30 CFEDHN C=CCC1(O)CCN(Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000895835224 619620300 /nfs/dbraw/zinc/62/03/00/619620300.db2.gz BYSNYEBPJNPNBC-UHFFFAOYSA-N 0 3 291.439 2.621 20 30 CFEDHN COc1cc(CN2CC(C)(C)CC[C@@H]2CO)ccc1C#N ZINC000895922668 619635220 /nfs/dbraw/zinc/63/52/20/619635220.db2.gz LGXFGOYJATWIAC-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc(C)nc3c2CCCC3)CC1 ZINC000896025131 619654943 /nfs/dbraw/zinc/65/49/43/619654943.db2.gz FDKVDXYHIIDQBY-UHFFFAOYSA-N 0 3 298.430 2.619 20 30 CFEDHN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNCC#Cc1ccccc1)O2 ZINC000896055660 619662423 /nfs/dbraw/zinc/66/24/23/619662423.db2.gz WTLBUUMLGLJVIQ-KCITZHQASA-N 0 3 299.414 2.600 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000896057197 619663013 /nfs/dbraw/zinc/66/30/13/619663013.db2.gz DKJLJOPIMHXFHB-CQSZACIVSA-N 0 3 287.403 2.913 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\C=C(Cl)Cl)CC1 ZINC000896208584 619694213 /nfs/dbraw/zinc/69/42/13/619694213.db2.gz JDJPIHBEOGUQGW-HYXAFXHYSA-N 0 3 289.206 2.628 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](OCC)C2)cc1 ZINC000897071508 619925733 /nfs/dbraw/zinc/92/57/33/619925733.db2.gz SFYZKOVILABWPX-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](OCC)C1 ZINC000897071020 619925861 /nfs/dbraw/zinc/92/58/61/619925861.db2.gz LPDKPRBXSROTBU-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Cl)ccc1OC ZINC000320980892 620079076 /nfs/dbraw/zinc/07/90/76/620079076.db2.gz HSIDOINVBGVXPQ-ZDUSSCGKSA-N 0 3 269.772 2.765 20 30 CFEDHN C=CCCN(C)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897517751 620201513 /nfs/dbraw/zinc/20/15/13/620201513.db2.gz ZBAWHSOEBVUSAT-INIZCTEOSA-N 0 3 290.407 2.769 20 30 CFEDHN N#Cc1ccc(CNCC[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000897536904 620222465 /nfs/dbraw/zinc/22/24/65/620222465.db2.gz XWYKGGPUXHSPJQ-CZUORRHYSA-N 0 3 276.355 2.728 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CCC)s2)C1 ZINC000988889888 620226721 /nfs/dbraw/zinc/22/67/21/620226721.db2.gz BCGXTGAUQSNAFM-OLZOCXBDSA-N 0 3 290.432 2.526 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CCC)s2)C1 ZINC000988889890 620226816 /nfs/dbraw/zinc/22/68/16/620226816.db2.gz BCGXTGAUQSNAFM-STQMWFEESA-N 0 3 290.432 2.526 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000989096646 620231094 /nfs/dbraw/zinc/23/10/94/620231094.db2.gz YOHPGJCWAUMYCL-QAPCUYQASA-N 0 3 298.430 2.565 20 30 CFEDHN Cc1ncc(CN2CCC(c3ccc(C#N)cc3)CC2)n1C ZINC000897589288 620252839 /nfs/dbraw/zinc/25/28/39/620252839.db2.gz WBYZTRWKIOVARH-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN C[C@@H]1CC2(CC(NCc3cccc(F)c3C#N)C2)CO1 ZINC000897776443 620279946 /nfs/dbraw/zinc/27/99/46/620279946.db2.gz QJDCVAWVTZDZMN-FFKNIBCLSA-N 0 3 274.339 2.745 20 30 CFEDHN CC1(C)CCC[C@H](CNCC#Cc2ccccc2)O1 ZINC000898046327 620320568 /nfs/dbraw/zinc/32/05/68/620320568.db2.gz GDWYKAIYEPWTMD-MRXNPFEDSA-N 0 3 257.377 2.975 20 30 CFEDHN CC1(C)CCC[C@@H](CNCC#Cc2ccccc2)O1 ZINC000898046326 620320845 /nfs/dbraw/zinc/32/08/45/620320845.db2.gz GDWYKAIYEPWTMD-INIZCTEOSA-N 0 3 257.377 2.975 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc3ccccc32)C1 ZINC000989746161 620388688 /nfs/dbraw/zinc/38/86/88/620388688.db2.gz UQRQMNRTKVASGL-ZBFHGGJFSA-N 0 3 292.382 2.666 20 30 CFEDHN C#CCCN1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000989772913 620391817 /nfs/dbraw/zinc/39/18/17/620391817.db2.gz KIQKCPKDNJMMDR-DLBZAZTESA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000989835601 620394235 /nfs/dbraw/zinc/39/42/35/620394235.db2.gz VGNGJWDLBJXCBP-DOTOQJQBSA-N 0 3 298.430 2.567 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989921580 620402521 /nfs/dbraw/zinc/40/25/21/620402521.db2.gz IMPMLRQQKKYISS-AEFFLSMTSA-N 0 3 284.403 2.908 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989920129 620402977 /nfs/dbraw/zinc/40/29/77/620402977.db2.gz ZHQVHZHZIAVFPI-FUHWJXTLSA-N 0 3 288.435 2.703 20 30 CFEDHN CC[C@H](C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989970497 620406085 /nfs/dbraw/zinc/40/60/85/620406085.db2.gz SAWDMIBEJPFPCA-AWEZNQCLSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3coc(C)c3)CCC[C@H]12 ZINC000990418791 620419929 /nfs/dbraw/zinc/41/99/29/620419929.db2.gz MVMOIGKUYFQLIP-GOEBONIOSA-N 0 3 274.364 2.501 20 30 CFEDHN Cc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1C#N ZINC000926966315 620434395 /nfs/dbraw/zinc/43/43/95/620434395.db2.gz WJIQJNXNFSPTAU-MRXNPFEDSA-N 0 3 280.375 2.767 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1COC[C@H]1C1CC1 ZINC000898388440 620457962 /nfs/dbraw/zinc/45/79/62/620457962.db2.gz SZQBLJACNPFLGW-JKSUJKDBSA-N 0 3 273.376 2.766 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNC/C=C/Cl)cc1 ZINC000898437205 620464755 /nfs/dbraw/zinc/46/47/55/620464755.db2.gz YOVPEVQKVYDDDO-FOKSMMDQSA-N 0 3 250.729 2.820 20 30 CFEDHN N#Cc1csc(CNCCOC2CCSCC2)c1 ZINC000898443062 620465636 /nfs/dbraw/zinc/46/56/36/620465636.db2.gz ZRFDOBQZZRZQJG-UHFFFAOYSA-N 0 3 282.434 2.622 20 30 CFEDHN N#Cc1ccc(CNCCCOc2cccc(F)c2)o1 ZINC000898445355 620466202 /nfs/dbraw/zinc/46/62/02/620466202.db2.gz JJXZANSSKHOHMK-UHFFFAOYSA-N 0 3 274.295 2.849 20 30 CFEDHN C[C@H](NCCNc1ccc(C#N)cn1)c1ccccc1F ZINC000927168081 620521909 /nfs/dbraw/zinc/52/19/09/620521909.db2.gz ISLNHTNGKDJBHY-LBPRGKRZSA-N 0 3 284.338 2.855 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@H]12 ZINC000990905317 620925349 /nfs/dbraw/zinc/92/53/49/620925349.db2.gz FTQAWRWYJHTRLD-WMZOPIPTSA-N 0 3 299.418 2.611 20 30 CFEDHN C[C@H](NCCc1ccccc1F)c1cc(C#N)ccn1 ZINC000902725911 621158758 /nfs/dbraw/zinc/15/87/58/621158758.db2.gz IENPSVPOJRBNCQ-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN Cc1cccc(OCCN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902766784 621169174 /nfs/dbraw/zinc/16/91/74/621169174.db2.gz RNCUUONOGZNJGX-CQSZACIVSA-N 0 3 281.359 2.991 20 30 CFEDHN C[C@H](NCCc1ccccc1O)c1cc(C#N)ccn1 ZINC000902786617 621176079 /nfs/dbraw/zinc/17/60/79/621176079.db2.gz QOIDNLYGPASWNS-LBPRGKRZSA-N 0 3 267.332 2.552 20 30 CFEDHN C=CCC[C@H](NCc1nccn1C)[C@]1(C)CCCCO1 ZINC000902789631 621177285 /nfs/dbraw/zinc/17/72/85/621177285.db2.gz LQGWTMPUNITPLS-HOCLYGCPSA-N 0 3 277.412 2.804 20 30 CFEDHN C[C@H](C[C@H](O)c1ccco1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902846865 621190065 /nfs/dbraw/zinc/19/00/65/621190065.db2.gz AQZYTWPCPBELDK-XUJVJEKNSA-N 0 3 285.347 2.709 20 30 CFEDHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1cc(C#N)ccn1 ZINC000902941774 621206784 /nfs/dbraw/zinc/20/67/84/621206784.db2.gz HYUVOJMMANUFGK-RISCZKNCSA-N 0 3 273.380 2.950 20 30 CFEDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)c1cc(C#N)ccn1 ZINC000902981758 621217203 /nfs/dbraw/zinc/21/72/03/621217203.db2.gz DCQLMXQXVUGJSQ-CJNGLKHVSA-N 0 3 293.370 2.998 20 30 CFEDHN CC[C@H](N[C@@H](CO)CC(F)F)c1cccc(C#N)c1 ZINC000902972217 621220789 /nfs/dbraw/zinc/22/07/89/621220789.db2.gz BSRXIENNHMWNSP-OLZOCXBDSA-N 0 3 268.307 2.615 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000903014423 621229945 /nfs/dbraw/zinc/22/99/45/621229945.db2.gz SFCBUNWAWCPGLJ-NJZAAPMLSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@](C)(O)c1ccccc1 ZINC000903037805 621231298 /nfs/dbraw/zinc/23/12/98/621231298.db2.gz BWNSOLFQXYMSJM-PMUMKWKESA-N 0 3 295.386 2.900 20 30 CFEDHN COC1([C@@H](C)N[C@H](C)c2cc(C#N)ccn2)CCC1 ZINC000903024101 621233817 /nfs/dbraw/zinc/23/38/17/621233817.db2.gz KUYKULCDTNOQLH-VXGBXAGGSA-N 0 3 259.353 2.561 20 30 CFEDHN C=CCCC1(CN[C@H](C)c2cn(C)nn2)CCCC1 ZINC000903047905 621240897 /nfs/dbraw/zinc/24/08/97/621240897.db2.gz SYYOIFJYOVTIHA-CYBMUJFWSA-N 0 3 262.401 2.992 20 30 CFEDHN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903051281 621242256 /nfs/dbraw/zinc/24/22/56/621242256.db2.gz HZKFXDWHCHAHSZ-BZPMIXESSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@@H](N[C@@H]1CC(C)(C)CC[C@H]1O)c1cc(C#N)ccn1 ZINC000903077951 621244282 /nfs/dbraw/zinc/24/42/82/621244282.db2.gz RVNLBODMTIEPNR-KCPJHIHWSA-N 0 3 273.380 2.543 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12 ZINC000991019285 621268498 /nfs/dbraw/zinc/26/84/98/621268498.db2.gz MLZSYEAYRCLRRJ-QAPCUYQASA-N 0 3 299.418 2.805 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2nccc3c2CCCC3)C1 ZINC000903180905 621276636 /nfs/dbraw/zinc/27/66/36/621276636.db2.gz AQPAOWHUAYBGBK-TZMCWYRMSA-N 0 3 255.365 2.742 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1cn(C)nc1Br ZINC000903189094 621286133 /nfs/dbraw/zinc/28/61/33/621286133.db2.gz OOEPNXAHVVNXGW-NXEZZACHSA-N 0 3 286.217 2.873 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1nc(CN(C)C)cs1 ZINC000903227460 621297139 /nfs/dbraw/zinc/29/71/39/621297139.db2.gz VLDYKPWZKONFGT-NEPJUHHUSA-N 0 3 267.442 2.895 20 30 CFEDHN CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCc1nc(C#N)cs1 ZINC000903265169 621298697 /nfs/dbraw/zinc/29/86/97/621298697.db2.gz YIIKDHPIZSLLDP-MDZLAQPJSA-N 0 3 261.394 2.929 20 30 CFEDHN CCN1CCC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000903392862 621351529 /nfs/dbraw/zinc/35/15/29/621351529.db2.gz ZQXLMOGPUUEOFB-IRXDYDNUSA-N 0 3 297.402 2.536 20 30 CFEDHN CC1(C)[C@@H](N)c2ccccc2N1C(=O)C1(C#N)CC2(CC2)C1 ZINC000904937981 621677246 /nfs/dbraw/zinc/67/72/46/621677246.db2.gz FMHUEOITMONQOM-AWEZNQCLSA-N 0 3 295.386 2.896 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2COC[C@H]2C)c([O-])c1 ZINC000905003176 621680133 /nfs/dbraw/zinc/68/01/33/621680133.db2.gz OUCMPRVQHFRMEI-RPBHGJHRSA-N 0 3 276.380 2.692 20 30 CFEDHN Cc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905079651 621690701 /nfs/dbraw/zinc/69/07/01/621690701.db2.gz DFFHFHISAIWZAC-DELQEKLWSA-N 0 3 253.305 2.736 20 30 CFEDHN CCOc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080180 621690755 /nfs/dbraw/zinc/69/07/55/621690755.db2.gz IUAIAPKSHZDGRX-GARZTLJTSA-N 0 3 269.304 2.518 20 30 CFEDHN Cc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905079652 621690919 /nfs/dbraw/zinc/69/09/19/621690919.db2.gz DFFHFHISAIWZAC-HKMIMPICSA-N 0 3 253.305 2.736 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080940 621690956 /nfs/dbraw/zinc/69/09/56/621690956.db2.gz ONJHNBHGSJIWNP-GARZTLJTSA-N 0 3 269.304 2.518 20 30 CFEDHN CC(C)Oc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905082444 621691652 /nfs/dbraw/zinc/69/16/52/621691652.db2.gz WIVWSINYDHCVTP-JYVXZMADSA-N 0 3 283.331 2.906 20 30 CFEDHN CC1/C(=C\c2ccc(C3CC3)cc2)C(=O)c2ncnn21 ZINC000905084360 621691976 /nfs/dbraw/zinc/69/19/76/621691976.db2.gz IQULZGWAHYUDFA-WWNSAXIVSA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C\c2ccc(C(C)(C)C#N)cc2)C(=O)c2ncnn21 ZINC000905084329 621692242 /nfs/dbraw/zinc/69/22/42/621692242.db2.gz IQTQIUJRIURSMU-GYBQTFJISA-N 0 3 292.342 2.920 20 30 CFEDHN Cc1cccc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905087352 621692585 /nfs/dbraw/zinc/69/25/85/621692585.db2.gz XORWEIBRRNZPPO-HKMIMPICSA-N 0 3 253.305 2.736 20 30 CFEDHN CC[C@@](O)(CN[C@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000905236052 621731533 /nfs/dbraw/zinc/73/15/33/621731533.db2.gz DHOLNPWLQSLQDQ-UONOGXRCSA-N 0 3 298.308 2.839 20 30 CFEDHN CC[C@](O)(CNCc1ccc(C)c(C#N)c1)C(F)(F)F ZINC000905580304 621796905 /nfs/dbraw/zinc/79/69/05/621796905.db2.gz NNCKTPOJRZUKPW-ZDUSSCGKSA-N 0 3 286.297 2.660 20 30 CFEDHN CC[C@@](O)(CNCc1ccc(C)c(C#N)c1)C(F)(F)F ZINC000905580303 621797028 /nfs/dbraw/zinc/79/70/28/621797028.db2.gz NNCKTPOJRZUKPW-CYBMUJFWSA-N 0 3 286.297 2.660 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CNCCC#N)CCC[C@@H]12 ZINC000905587640 621798146 /nfs/dbraw/zinc/79/81/46/621798146.db2.gz QIQPUWQQFTUFPZ-CZUORRHYSA-N 0 3 293.411 2.669 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905844026 621886152 /nfs/dbraw/zinc/88/61/52/621886152.db2.gz NKYJZRZXEKQMKZ-SUMWQHHRSA-N 0 3 292.382 2.555 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905844023 621886364 /nfs/dbraw/zinc/88/63/64/621886364.db2.gz NKYJZRZXEKQMKZ-CXAGYDPISA-N 0 3 292.382 2.555 20 30 CFEDHN C#CCN(C(=O)C(CCC)CCC)C1CCN(C)CC1 ZINC000906452636 621991510 /nfs/dbraw/zinc/99/15/10/621991510.db2.gz XBJFMWSAGGKZGR-UHFFFAOYSA-N 0 3 278.440 2.759 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819730318 622549001 /nfs/dbraw/zinc/54/90/01/622549001.db2.gz VPSJEMCBKNZDRR-RYUDHWBXSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819730318 622549002 /nfs/dbraw/zinc/54/90/02/622549002.db2.gz VPSJEMCBKNZDRR-RYUDHWBXSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000911778070 622550619 /nfs/dbraw/zinc/55/06/19/622550619.db2.gz FIDXNDDZOXXXKD-CQSZACIVSA-N 0 3 273.380 2.667 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCCc2ccccc21 ZINC000911891558 622571202 /nfs/dbraw/zinc/57/12/02/622571202.db2.gz KNRPKNRNFIVCKO-CQSZACIVSA-N 0 3 258.365 2.649 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(Cl)cc1 ZINC000911906166 622580401 /nfs/dbraw/zinc/58/04/01/622580401.db2.gz JONUIZCYMPHILN-GFCCVEGCSA-N 0 3 252.745 2.962 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000911936566 622591572 /nfs/dbraw/zinc/59/15/72/622591572.db2.gz DGUCRNPFOHSRHO-JKSUJKDBSA-N 0 3 272.392 2.864 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC)C1CCCCC1 ZINC000911940014 622593815 /nfs/dbraw/zinc/59/38/15/622593815.db2.gz AHOCLDUMLDTQRO-AWEZNQCLSA-N 0 3 252.402 2.851 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)ccc1F ZINC000911956640 622596176 /nfs/dbraw/zinc/59/61/76/622596176.db2.gz IZYXLNMGUBFISF-GFCCVEGCSA-N 0 3 250.317 2.756 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991363061 622606294 /nfs/dbraw/zinc/60/62/94/622606294.db2.gz VHFRSOOEVWJLAF-QGPMSJSTSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccccc1C ZINC000912006874 622607102 /nfs/dbraw/zinc/60/71/02/622607102.db2.gz WVIASSJZVBHUFB-HNNXBMFYSA-N 0 3 260.381 2.637 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCSc1ccccc1 ZINC000912096426 622624020 /nfs/dbraw/zinc/62/40/20/622624020.db2.gz AXIJEQFXFWDKGY-CQSZACIVSA-N 0 3 278.421 2.579 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000912079530 622626181 /nfs/dbraw/zinc/62/61/81/622626181.db2.gz OLOHGDOUELITCE-HIFRSBDPSA-N 0 3 260.381 2.890 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000912170779 622655602 /nfs/dbraw/zinc/65/56/02/622655602.db2.gz PNVMVPNNGPBNRU-CJNGLKHVSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000912200340 622660316 /nfs/dbraw/zinc/66/03/16/622660316.db2.gz ILVUZJSXNKTJNM-IRXDYDNUSA-N 0 3 286.419 2.904 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000912263047 622668395 /nfs/dbraw/zinc/66/83/95/622668395.db2.gz FUZFXAPNKKDDNJ-ZDUSSCGKSA-N 0 3 284.762 2.779 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000912299992 622679049 /nfs/dbraw/zinc/67/90/49/622679049.db2.gz ASCWAVJSPCJWHJ-AWEZNQCLSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000912342021 622690084 /nfs/dbraw/zinc/69/00/84/622690084.db2.gz GRIFALSFKBQFFB-MCIONIFRSA-N 0 3 252.402 2.707 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)NCc1cc(C)on1 ZINC000912438319 622710859 /nfs/dbraw/zinc/71/08/59/622710859.db2.gz OFUACVCLGVTQDK-AWEZNQCLSA-N 0 3 281.400 2.677 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCc2cccnc2)cc1 ZINC000151083982 622832541 /nfs/dbraw/zinc/83/25/41/622832541.db2.gz MKIRCAJHKCSYJJ-CQSZACIVSA-N 0 3 266.344 2.944 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991502450 622949167 /nfs/dbraw/zinc/94/91/67/622949167.db2.gz KRHSHAVVJVBDPK-YOEHRIQHSA-N 0 3 294.414 2.958 20 30 CFEDHN CN(C)Cc1cccc(C(=O)O[C@H](C#N)C(C)(C)C)c1 ZINC000821627847 622957632 /nfs/dbraw/zinc/95/76/32/622957632.db2.gz QLGVWTVNGPVCPN-CQSZACIVSA-N 0 3 274.364 2.843 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(F)c1SC ZINC000876959886 622999546 /nfs/dbraw/zinc/99/95/46/622999546.db2.gz YIZSCOMZTSTAQD-VIFPVBQESA-N 0 3 288.775 2.956 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000224736166 623011311 /nfs/dbraw/zinc/01/13/11/623011311.db2.gz OZLPGZDNNYZFEZ-GJZGRUSLSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894483 623415870 /nfs/dbraw/zinc/41/58/70/623415870.db2.gz RGTJILVONILQKH-LBPRGKRZSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894483 623415916 /nfs/dbraw/zinc/41/59/16/623415916.db2.gz RGTJILVONILQKH-LBPRGKRZSA-N 0 3 271.368 2.701 20 30 CFEDHN C#CCCC[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000174612112 623432041 /nfs/dbraw/zinc/43/20/41/623432041.db2.gz COYGFUBOGABARF-UHFFFAOYSA-N 0 3 298.180 2.666 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992158672 623474059 /nfs/dbraw/zinc/47/40/59/623474059.db2.gz DTLPEKOZGQDNAS-HDMKZQKVSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccco3)CCC[C@@H]12 ZINC000992166808 623475931 /nfs/dbraw/zinc/47/59/31/623475931.db2.gz IQBRLFQQKMSLQU-YSVLISHTSA-N 0 3 288.391 2.682 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000824291944 623484667 /nfs/dbraw/zinc/48/46/67/623484667.db2.gz KOCQGZDTZDFUIB-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000824291947 623484991 /nfs/dbraw/zinc/48/49/91/623484991.db2.gz KOCQGZDTZDFUIB-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C#CCSCCNCc1nc2ccccc2n1CCC ZINC000152920379 623491796 /nfs/dbraw/zinc/49/17/96/623491796.db2.gz RGXMLLONICDTMP-UHFFFAOYSA-N 0 3 287.432 2.902 20 30 CFEDHN C#C[C@H](NCc1cnn(-c2ccc(OC)cc2)c1)C(C)C ZINC000824363595 623495679 /nfs/dbraw/zinc/49/56/79/623495679.db2.gz HCHRKMCUDRYZIX-KRWDZBQOSA-N 0 3 283.375 2.628 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000824368672 623496763 /nfs/dbraw/zinc/49/67/63/623496763.db2.gz TXQFNMWNMIWSPB-IAGOWNOFSA-N 0 3 297.402 2.613 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CC3(CC3)C2)cc1 ZINC000824533983 623519999 /nfs/dbraw/zinc/51/99/99/623519999.db2.gz VOHIOFNVIWXHKN-UHFFFAOYSA-N 0 3 255.365 2.632 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000824861534 623580400 /nfs/dbraw/zinc/58/04/00/623580400.db2.gz MVFBDZGPKAXREH-YPMHNXCESA-N 0 3 282.727 2.681 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000824954856 623594839 /nfs/dbraw/zinc/59/48/39/623594839.db2.gz TUZSHEZQKHWNHU-ZBFHGGJFSA-N 0 3 277.364 2.614 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000913815659 623596592 /nfs/dbraw/zinc/59/65/92/623596592.db2.gz OAILBWOJUVSRPC-SHTZXODSSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN(C(=O)N[C@@H](C)CCC(C)C)C1CCN(C)CC1 ZINC000913849103 623617976 /nfs/dbraw/zinc/61/79/76/623617976.db2.gz ABGYBINJYFGHKO-HNNXBMFYSA-N 0 3 293.455 2.550 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccnc(Cl)c1Cl ZINC000825168771 623642883 /nfs/dbraw/zinc/64/28/83/623642883.db2.gz OBRWAOWXAJGJSQ-JTQLQIEISA-N 0 3 275.179 2.805 20 30 CFEDHN CCCCCCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152239112 623670034 /nfs/dbraw/zinc/67/00/34/623670034.db2.gz QLZUXZKCNQJABD-GJZGRUSLSA-N 0 3 255.402 2.837 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)C(C)(F)F)[C@@H]1C ZINC000992978251 623827148 /nfs/dbraw/zinc/82/71/48/623827148.db2.gz FCQTVEAMBKHGOH-NWDGAFQWSA-N 0 3 274.355 2.577 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2cccs2)[C@@H]1C ZINC000992981476 623827637 /nfs/dbraw/zinc/82/76/37/623827637.db2.gz LEISEDVGJGPFTG-DZGCQCFKSA-N 0 3 292.448 2.836 20 30 CFEDHN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993073190 623888414 /nfs/dbraw/zinc/88/84/14/623888414.db2.gz QCOCLJYNTYMZOC-UKRRQHHQSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC000993073190 623888430 /nfs/dbraw/zinc/88/84/30/623888430.db2.gz QCOCLJYNTYMZOC-UKRRQHHQSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccncc2C)[C@H]1C ZINC000993325891 624099531 /nfs/dbraw/zinc/09/95/31/624099531.db2.gz KZKMNAYKOHVXFG-GDBMZVCRSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccncc2C)[C@@H]1C ZINC000993325897 624099752 /nfs/dbraw/zinc/09/97/52/624099752.db2.gz KZKMNAYKOHVXFG-HOCLYGCPSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993334385 624115099 /nfs/dbraw/zinc/11/50/99/624115099.db2.gz SQTNOFWKYCRDBI-HIFRSBDPSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)[C@H](CO)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000827968760 624141630 /nfs/dbraw/zinc/14/16/30/624141630.db2.gz KJQVJRIHWWIPCP-WMZOPIPTSA-N 0 3 288.435 2.751 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993657722 624159408 /nfs/dbraw/zinc/15/94/08/624159408.db2.gz QOWNYRIYELPEGU-HUUCEWRRSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993700292 624162099 /nfs/dbraw/zinc/16/20/99/624162099.db2.gz DRUQCQSQFHNFAH-GOEBONIOSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCC[C@@H](O)CNc1ccnc2ccc(CCC)cc21 ZINC000828080500 624166046 /nfs/dbraw/zinc/16/60/46/624166046.db2.gz CCYUSADGMQENLO-OAHLLOKOSA-N 0 3 282.387 2.795 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2cccc(C)c2)[C@@H]1C ZINC000993775895 624167130 /nfs/dbraw/zinc/16/71/30/624167130.db2.gz MKAOWLUAXUJBFR-RDJZCZTQSA-N 0 3 286.419 2.693 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@@H]1C ZINC000993856679 624172333 /nfs/dbraw/zinc/17/23/33/624172333.db2.gz ONMXPOBMPTWXOI-BBRMVZONSA-N 0 3 297.402 2.937 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000915983202 624201348 /nfs/dbraw/zinc/20/13/48/624201348.db2.gz TUDUKNRAVRLPGP-NDTRWUQDSA-N 0 3 290.407 2.961 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C)[C@H]1C ZINC000994255139 624243736 /nfs/dbraw/zinc/24/37/36/624243736.db2.gz BGAOVEXKWHOERV-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C)[C@@H]1C ZINC000994255143 624243830 /nfs/dbraw/zinc/24/38/30/624243830.db2.gz BGAOVEXKWHOERV-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994348433 624277233 /nfs/dbraw/zinc/27/72/33/624277233.db2.gz IFZDULNCBDEHIS-QAPCUYQASA-N 0 3 298.430 2.855 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994358350 624278463 /nfs/dbraw/zinc/27/84/63/624278463.db2.gz ZZVIZKJMKUENMI-WMZOPIPTSA-N 0 3 298.430 2.909 20 30 CFEDHN C=CCN(C[C@@H](O)COc1cccc(C(C)=O)c1)C(C)C ZINC000917069067 624306930 /nfs/dbraw/zinc/30/69/30/624306930.db2.gz GAPPOPXTLDXDHR-MRXNPFEDSA-N 0 3 291.391 2.525 20 30 CFEDHN CN1CCC[C@@H]1CSc1ccc(C#N)cc1F ZINC000917092506 624311466 /nfs/dbraw/zinc/31/14/66/624311466.db2.gz OALUTKDDJXTPLK-LLVKDONJSA-N 0 3 250.342 2.884 20 30 CFEDHN CC(C)C#CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000829710800 624512929 /nfs/dbraw/zinc/51/29/29/624512929.db2.gz HSSQFXPQTMZVJT-UHFFFAOYSA-N 0 3 298.430 2.769 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829744637 624518913 /nfs/dbraw/zinc/51/89/13/624518913.db2.gz JECSYFQJDDMXDA-KBPBESRZSA-N 0 3 285.391 2.669 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000829768549 624527303 /nfs/dbraw/zinc/52/73/03/624527303.db2.gz FWFFRTWZDIVJTI-XHSDSOJGSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000829773110 624529489 /nfs/dbraw/zinc/52/94/89/624529489.db2.gz ARRDVTYNYGGCHJ-SJORKVTESA-N 0 3 298.430 2.735 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000829774581 624530811 /nfs/dbraw/zinc/53/08/11/624530811.db2.gz QLEPZVTVASJUPO-MWDXBVQZSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000829775165 624531530 /nfs/dbraw/zinc/53/15/30/624531530.db2.gz YTKASWMNWWEZIO-ZDUSSCGKSA-N 0 3 275.348 2.610 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000829779008 624533004 /nfs/dbraw/zinc/53/30/04/624533004.db2.gz LTBTUEPDILSESW-BLLLJJGKSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000829778494 624533125 /nfs/dbraw/zinc/53/31/25/624533125.db2.gz CUYUTJMQXATPJF-DNVCBOLYSA-N 0 3 275.417 2.530 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000829778606 624533245 /nfs/dbraw/zinc/53/32/45/624533245.db2.gz FFTVSOUVPLTYEJ-QWHCGFSZSA-N 0 3 275.348 2.863 20 30 CFEDHN C#CC[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000829778495 624533276 /nfs/dbraw/zinc/53/32/76/624533276.db2.gz CUYUTJMQXATPJF-HNAYVOBHSA-N 0 3 275.417 2.530 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000829810204 624549620 /nfs/dbraw/zinc/54/96/20/624549620.db2.gz MVIUXIMSWWKCNI-ZDUSSCGKSA-N 0 3 256.324 2.933 20 30 CFEDHN C#CC[C@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000829811091 624551054 /nfs/dbraw/zinc/55/10/54/624551054.db2.gz XXWQMTAYZXXWOJ-YOEHRIQHSA-N 0 3 282.387 2.675 20 30 CFEDHN C[C@@H](C#N)OCCNC1(c2ccccc2F)CCC1 ZINC000829891744 624578428 /nfs/dbraw/zinc/57/84/28/624578428.db2.gz IDTFSXWCOLATAB-LBPRGKRZSA-N 0 3 262.328 2.723 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000830300978 624703477 /nfs/dbraw/zinc/70/34/77/624703477.db2.gz FEFDTDQVSPTXSV-GOEBONIOSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000830311158 624704817 /nfs/dbraw/zinc/70/48/17/624704817.db2.gz GIVKNQJDCYQLPU-OAHLLOKOSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CC1CC[NH+](Cc2cc(=O)oc3c(C)c([O-])ccc23)CC1 ZINC000830333592 624712443 /nfs/dbraw/zinc/71/24/43/624712443.db2.gz CWQSWMKSSBAQCD-UHFFFAOYSA-N 0 3 297.354 2.652 20 30 CFEDHN CCOCCCNCc1cc(C#N)ccc1Br ZINC000921471016 624902128 /nfs/dbraw/zinc/90/21/28/624902128.db2.gz RXGOAWYPBVKGBC-UHFFFAOYSA-N 0 3 297.196 2.837 20 30 CFEDHN CN(C)[C@@H](CNCc1csc(C#N)c1)c1ccco1 ZINC000921478655 624908574 /nfs/dbraw/zinc/90/85/74/624908574.db2.gz OYVXBPFCCNROEY-ZDUSSCGKSA-N 0 3 275.377 2.605 20 30 CFEDHN CC(C)CO[C@@H]1C[C@@H](NCC2(C#N)CC2)C1(C)C ZINC000831275834 624981421 /nfs/dbraw/zinc/98/14/21/624981421.db2.gz DVZYEBGNOWUNFN-CHWSQXEVSA-N 0 3 250.386 2.719 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCCCCCC1 ZINC000831925799 625183151 /nfs/dbraw/zinc/18/31/51/625183151.db2.gz AJEMTZMVLGVQKR-INIZCTEOSA-N 0 3 279.428 2.697 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000069910947 625242920 /nfs/dbraw/zinc/24/29/20/625242920.db2.gz QUHAHAMNXDAUJK-KGLIPLIRSA-N 0 3 276.380 2.748 20 30 CFEDHN CC(C)[C@H](Cn1cccn1)NCc1cc(C#N)ccc1F ZINC000834673327 625775809 /nfs/dbraw/zinc/77/58/09/625775809.db2.gz PCRFPCITWBZKJP-INIZCTEOSA-N 0 3 286.354 2.708 20 30 CFEDHN C#CCOc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000834890046 625911302 /nfs/dbraw/zinc/91/13/02/625911302.db2.gz IEAYUXHAZFKXLQ-MRXNPFEDSA-N 0 3 281.359 2.589 20 30 CFEDHN C[C@@H](C#N)CNN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834965784 625936305 /nfs/dbraw/zinc/93/63/05/625936305.db2.gz VESSCYORIJYLMH-HMXLRYEISA-N 0 3 256.353 2.501 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2cccs2)CC1 ZINC000996905485 625942348 /nfs/dbraw/zinc/94/23/48/625942348.db2.gz DGJHHFWQTRZIRV-CYBMUJFWSA-N 0 3 290.432 2.602 20 30 CFEDHN CCn1cc(CNCc2ccc(N(C)CCC#N)cc2)cn1 ZINC000735676610 625944354 /nfs/dbraw/zinc/94/43/54/625944354.db2.gz VSCGRHGDOAYZBD-UHFFFAOYSA-N 0 3 297.406 2.543 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccccc2CC)CC1 ZINC000997277302 625986551 /nfs/dbraw/zinc/98/65/51/625986551.db2.gz RAUQCWXAFVBGEL-OAHLLOKOSA-N 0 3 298.430 2.713 20 30 CFEDHN N#Cc1cc(CNCCOC2CCCC2)cs1 ZINC000921610901 625993571 /nfs/dbraw/zinc/99/35/71/625993571.db2.gz ZKTKZJXWPHFCSX-UHFFFAOYSA-N 0 3 250.367 2.669 20 30 CFEDHN N#Cc1cc(CN[C@H]2COc3ccccc3C2)cs1 ZINC000921612903 625993905 /nfs/dbraw/zinc/99/39/05/625993905.db2.gz OAHHZTNAAJMSNZ-CYBMUJFWSA-N 0 3 270.357 2.713 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000997474293 625997999 /nfs/dbraw/zinc/99/79/99/625997999.db2.gz INBCQICRUCHHCA-DOTOQJQBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)C2=CCCCCC2)CC1 ZINC000997562126 626008762 /nfs/dbraw/zinc/00/87/62/626008762.db2.gz IHMOIXCRYHIEPU-HNNXBMFYSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000997670334 626013102 /nfs/dbraw/zinc/01/31/02/626013102.db2.gz PAIFKHCBCKXRPS-NUEKZKHPSA-N 0 3 290.451 2.519 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997903490 626019611 /nfs/dbraw/zinc/01/96/11/626019611.db2.gz XJODHRFQWRUIQX-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CN[C@H]1CN(C(=O)C(C)C)CC[C@H]1C(F)(F)F ZINC000998248417 626037928 /nfs/dbraw/zinc/03/79/28/626037928.db2.gz VETDKKXMAFEXQA-NEPJUHHUSA-N 0 3 292.345 2.588 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccccc2)C1 ZINC000998378938 626047186 /nfs/dbraw/zinc/04/71/86/626047186.db2.gz BVWATVMQATZIMB-UHFFFAOYSA-N 0 3 278.783 2.632 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2[nH]c(C)cc2C)C1 ZINC000998997565 626064791 /nfs/dbraw/zinc/06/47/91/626064791.db2.gz LUANDLXMAFGJRC-UHFFFAOYSA-N 0 3 295.814 2.577 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC000999243305 626069784 /nfs/dbraw/zinc/06/97/84/626069784.db2.gz FZRFBFYEXZIACZ-WXRRBKDZSA-N 0 3 284.831 2.754 20 30 CFEDHN C=C1CC(C)(C(=O)N(C)C2CC(NCc3ccccn3)C2)C1 ZINC000999357415 626072056 /nfs/dbraw/zinc/07/20/56/626072056.db2.gz CVZRZMDFUHFMNJ-UHFFFAOYSA-N 0 3 299.418 2.517 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001000706193 626130085 /nfs/dbraw/zinc/13/00/85/626130085.db2.gz YCKSXTACADLKIU-JKSUJKDBSA-N 0 3 290.451 2.993 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001000840315 626132685 /nfs/dbraw/zinc/13/26/85/626132685.db2.gz IRNVLODCJPFSQD-HNNXBMFYSA-N 0 3 274.408 2.501 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CCC3(CC3)CC2)CC1 ZINC001000961895 626138648 /nfs/dbraw/zinc/13/86/48/626138648.db2.gz YNKUNHSGYRYSFY-UHFFFAOYSA-N 0 3 288.435 2.891 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CCC(=C)CC2)CC1 ZINC001001116650 626145625 /nfs/dbraw/zinc/14/56/25/626145625.db2.gz FCRYWLZSLHKIAN-UHFFFAOYSA-N 0 3 274.408 2.667 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CCC(F)(F)CC2)CC1 ZINC001001192967 626148804 /nfs/dbraw/zinc/14/88/04/626148804.db2.gz BFSKWCRPZXDXEQ-UHFFFAOYSA-N 0 3 298.377 2.746 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc(Cl)c2)CC1 ZINC001001395842 626156119 /nfs/dbraw/zinc/15/61/19/626156119.db2.gz HFTPCGHZVRWMTJ-UHFFFAOYSA-N 0 3 290.794 2.888 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccn2C(C)C)CC1 ZINC001001450766 626158531 /nfs/dbraw/zinc/15/85/31/626158531.db2.gz XLNXUUYLEIMZII-UHFFFAOYSA-N 0 3 287.407 2.617 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001001485404 626159649 /nfs/dbraw/zinc/15/96/49/626159649.db2.gz YGZKLRODAIJOJI-UHFFFAOYSA-N 0 3 290.451 2.993 20 30 CFEDHN C=C1CCC(C(=O)NCC2CCN(CC#CC)CC2)CC1 ZINC001001798961 626163883 /nfs/dbraw/zinc/16/38/83/626163883.db2.gz XRGSHHFWPRIGTN-UHFFFAOYSA-N 0 3 288.435 2.584 20 30 CFEDHN C=CCCOCCNCc1nccc2c1CCCC2 ZINC000921937652 626181608 /nfs/dbraw/zinc/18/16/08/626181608.db2.gz DQMWUDKUVKOWEV-UHFFFAOYSA-N 0 3 260.381 2.643 20 30 CFEDHN C[C@H](C[C@H](O)c1ccco1)NCc1csc(C#N)c1 ZINC000921950945 626184294 /nfs/dbraw/zinc/18/42/94/626184294.db2.gz UPAMOTYWWWWMCS-MFKMUULPSA-N 0 3 276.361 2.815 20 30 CFEDHN N#Cc1cc(CN[C@@H]2Cc3cccc(O)c3C2)cs1 ZINC000922058766 626202178 /nfs/dbraw/zinc/20/21/78/626202178.db2.gz BEEPYXKKYFQCNF-GFCCVEGCSA-N 0 3 270.357 2.582 20 30 CFEDHN C=C(CC)CNCc1ccccc1O[C@@H](C)C(=O)OC ZINC000922167817 626228917 /nfs/dbraw/zinc/22/89/17/626228917.db2.gz GINCSRRNONGRBL-ZDUSSCGKSA-N 0 3 277.364 2.683 20 30 CFEDHN Cc1nn(C)c(CNCCc2ccc(C#N)cc2)c1Cl ZINC000922236707 626248524 /nfs/dbraw/zinc/24/85/24/626248524.db2.gz DGXWLQGQAGKXJZ-UHFFFAOYSA-N 0 3 288.782 2.586 20 30 CFEDHN COC(OC)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000922313638 626268059 /nfs/dbraw/zinc/26/80/59/626268059.db2.gz PBNCQYNINUQLCJ-LBPRGKRZSA-N 0 3 276.380 2.585 20 30 CFEDHN N#Cc1cc(CNC[C@H]2CCC3(CCC3)O2)cs1 ZINC000922338536 626274601 /nfs/dbraw/zinc/27/46/01/626274601.db2.gz SZAWQYVZMSRJNP-GFCCVEGCSA-N 0 3 262.378 2.811 20 30 CFEDHN Cc1cc(CNCc2cc(N(C)C)ccn2)ccc1C#N ZINC000922483270 626297597 /nfs/dbraw/zinc/29/75/97/626297597.db2.gz SDDPFRMSIDTATO-UHFFFAOYSA-N 0 3 280.375 2.618 20 30 CFEDHN C=C(C)C[NH+]1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001005135029 626412077 /nfs/dbraw/zinc/41/20/77/626412077.db2.gz YWMGXENLQFKTRT-UHFFFAOYSA-N 0 3 288.391 2.505 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC23CC3)CC1 ZINC001005576157 626417751 /nfs/dbraw/zinc/41/77/51/626417751.db2.gz SBKVRDIKWUVYDL-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc3cnccc3o2)CC1 ZINC001005663523 626419140 /nfs/dbraw/zinc/41/91/40/626419140.db2.gz FLPRMUUDNQXVRA-UHFFFAOYSA-N 0 3 299.374 2.550 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001005762038 626420989 /nfs/dbraw/zinc/42/09/89/626420989.db2.gz FOVTVVUFYMFNKQ-BHYGNILZSA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCC1(NCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000922998037 626441234 /nfs/dbraw/zinc/44/12/34/626441234.db2.gz PJMNWBIBDBSVOX-UHFFFAOYSA-N 0 3 262.284 2.770 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cccc(F)c2F)CC1 ZINC001005902426 626448314 /nfs/dbraw/zinc/44/83/14/626448314.db2.gz RJYGRUTXPSHOBK-UHFFFAOYSA-N 0 3 294.345 2.687 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001005908640 626448451 /nfs/dbraw/zinc/44/84/51/626448451.db2.gz XWUJIQDJOFYLMW-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000923173329 626454295 /nfs/dbraw/zinc/45/42/95/626454295.db2.gz FCBWOGHDHFJZKE-YJNKXOJESA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2c[nH]cc2C2CC2)CC1 ZINC001006219247 626480689 /nfs/dbraw/zinc/48/06/89/626480689.db2.gz NUSWGUZZFHAPPH-UHFFFAOYSA-N 0 3 287.407 2.615 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc2ccccc2c1 ZINC000838624077 626502153 /nfs/dbraw/zinc/50/21/53/626502153.db2.gz GEQXZUHPTZOTMQ-UHFFFAOYSA-N 0 3 295.386 2.916 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(C)C1CCCCCCC1 ZINC000838622753 626502172 /nfs/dbraw/zinc/50/21/72/626502172.db2.gz LCFUKPFPHMQVLJ-UHFFFAOYSA-N 0 3 293.455 2.696 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(CC(C)C)CC(C)(C)C ZINC000838623724 626502190 /nfs/dbraw/zinc/50/21/90/626502190.db2.gz JFBNRKQQYXQKPT-UHFFFAOYSA-N 0 3 295.471 2.655 20 30 CFEDHN CN(C)Cc1cccc(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000839065306 626522831 /nfs/dbraw/zinc/52/28/31/626522831.db2.gz ZVXDSXOBMFVSFV-CZUORRHYSA-N 0 3 286.375 2.987 20 30 CFEDHN C#CCC[C@@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000839042861 626523469 /nfs/dbraw/zinc/52/34/69/626523469.db2.gz ZBZSNVRHNRIUHD-CYBMUJFWSA-N 0 3 259.349 2.707 20 30 CFEDHN CC[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000839199272 626531915 /nfs/dbraw/zinc/53/19/15/626531915.db2.gz INXKKJLGHIYXLI-KGLIPLIRSA-N 0 3 294.782 2.899 20 30 CFEDHN CC[C@H]1CN(CCCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757103465 626545026 /nfs/dbraw/zinc/54/50/26/626545026.db2.gz CVIOCLNGVDFZAK-KBPBESRZSA-N 0 3 295.427 2.915 20 30 CFEDHN C#CC(C)(C)N(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000839579758 626547155 /nfs/dbraw/zinc/54/71/55/626547155.db2.gz AMLIVVSZEIOXFV-UHFFFAOYSA-N 0 3 279.767 2.955 20 30 CFEDHN CCCCCCCCN1CCN(CCC#N)CC1 ZINC000760943364 626786994 /nfs/dbraw/zinc/78/69/94/626786994.db2.gz LGNMEEYMBQVHNJ-UHFFFAOYSA-N 0 3 251.418 2.878 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000761076943 626797711 /nfs/dbraw/zinc/79/77/11/626797711.db2.gz QGYCSWPTZNGCFN-AWEZNQCLSA-N 0 3 271.408 2.624 20 30 CFEDHN COc1cc(F)ccc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000761891217 626870674 /nfs/dbraw/zinc/87/06/74/626870674.db2.gz XHVFOUXIHOXKOV-JTQLQIEISA-N 0 3 277.343 2.859 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H]2CC3(CC3)C(=O)O2)C2CC2)cc1 ZINC000763672792 627003977 /nfs/dbraw/zinc/00/39/77/627003977.db2.gz CEPIHMONWOLSSD-INIZCTEOSA-N 0 3 296.370 2.618 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000765009536 627112298 /nfs/dbraw/zinc/11/22/98/627112298.db2.gz HNDGBUQCYKKIBJ-OAHLLOKOSA-N 0 3 254.337 2.533 20 30 CFEDHN C#CCOCCNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000851838102 634551848 /nfs/dbraw/zinc/55/18/48/634551848.db2.gz ULQBIWFOHWSADU-UHFFFAOYSA-N 0 3 283.293 2.934 20 30 CFEDHN C#CCCCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000766936355 627228042 /nfs/dbraw/zinc/22/80/42/627228042.db2.gz YBCXXBHSKPBPSG-QGZVFWFLSA-N 0 3 255.361 2.574 20 30 CFEDHN CON=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000767490046 627255225 /nfs/dbraw/zinc/25/52/25/627255225.db2.gz JDVMJVXDYUVWLK-UHFFFAOYSA-N 0 3 262.353 2.661 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)c2ccc(F)cc2)c(F)c1 ZINC000767714683 627279571 /nfs/dbraw/zinc/27/95/71/627279571.db2.gz QODWJDNBTDQTBF-INIZCTEOSA-N 0 3 288.297 2.660 20 30 CFEDHN CN(CCOC(C)(C)C)Cc1ccc(OCC#N)cc1 ZINC000767904567 627293580 /nfs/dbraw/zinc/29/35/80/627293580.db2.gz KNUCOWVMGDLMTM-UHFFFAOYSA-N 0 3 276.380 2.836 20 30 CFEDHN CCC1(O)CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769485879 627447079 /nfs/dbraw/zinc/44/70/79/627447079.db2.gz PLCJYKQKHPQKMD-CQSZACIVSA-N 0 3 288.391 2.714 20 30 CFEDHN C#CCN(CC[C@@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000851937955 634600673 /nfs/dbraw/zinc/60/06/73/634600673.db2.gz FVBCSXSUQZUDMJ-HNNXBMFYSA-N 0 3 286.400 2.587 20 30 CFEDHN N#Cc1ccc(CNCCN2CCc3ccccc32)c(F)c1 ZINC000772918497 627758996 /nfs/dbraw/zinc/75/89/96/627758996.db2.gz LQKYLRWGNYOVGA-UHFFFAOYSA-N 0 3 295.361 2.850 20 30 CFEDHN C=C(CC)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000773184367 627792620 /nfs/dbraw/zinc/79/26/20/627792620.db2.gz QWRMBLOUEDDRDS-UHFFFAOYSA-N 0 3 274.364 2.840 20 30 CFEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773770291 627857724 /nfs/dbraw/zinc/85/77/24/627857724.db2.gz NHCBYOWEYIBJFO-WCQYABFASA-N 0 3 290.388 2.866 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cccc3c2OCCO3)C1 ZINC000774242663 627907861 /nfs/dbraw/zinc/90/78/61/627907861.db2.gz HUCBEMDYMJFBJX-JSGCOSHPSA-N 0 3 272.348 2.630 20 30 CFEDHN CCC(CC)[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775127253 627995658 /nfs/dbraw/zinc/99/56/58/627995658.db2.gz CIJODSNDIARUBY-KRWDZBQOSA-N 0 3 287.407 2.783 20 30 CFEDHN CCCCC[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775317065 628008873 /nfs/dbraw/zinc/00/88/73/628008873.db2.gz HLCZHIOMAVMLHL-MRXNPFEDSA-N 0 3 287.407 2.927 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000775574034 628041321 /nfs/dbraw/zinc/04/13/21/628041321.db2.gz NISGJHALMBVGQW-RRQGHBQHSA-N 0 3 272.392 2.584 20 30 CFEDHN C#C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000775574032 628041657 /nfs/dbraw/zinc/04/16/57/628041657.db2.gz NISGJHALMBVGQW-COXVUDFISA-N 0 3 272.392 2.584 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)[C@@H]1CCCO1 ZINC000775575845 628041958 /nfs/dbraw/zinc/04/19/58/628041958.db2.gz ZJJLWXDKPVNALV-WBAXXEDZSA-N 0 3 286.419 2.974 20 30 CFEDHN C=C(C)CCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000775613378 628046078 /nfs/dbraw/zinc/04/60/78/628046078.db2.gz ONSNTYOXJMKBLT-UHFFFAOYSA-N 0 3 278.371 2.923 20 30 CFEDHN C#C[C@@H](NCCSc1ccccc1)[C@@H]1CCCO1 ZINC000775799888 628069758 /nfs/dbraw/zinc/06/97/58/628069758.db2.gz NKIASLSVJVGPJU-CABCVRRESA-N 0 3 261.390 2.549 20 30 CFEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776608683 628165180 /nfs/dbraw/zinc/16/51/80/628165180.db2.gz DSUYJAHDMPZRQA-OLZOCXBDSA-N 0 3 268.401 2.892 20 30 CFEDHN C#CCN(CC[C@@H]1COC(C)(C)O1)Cc1ccccc1 ZINC000852044978 634634449 /nfs/dbraw/zinc/63/44/49/634634449.db2.gz JGFQBVAVRPSMLS-MRXNPFEDSA-N 0 3 273.376 2.663 20 30 CFEDHN Clc1ccc(OCCC=Nn2cnnc2)cc1Cl ZINC000777422309 628224265 /nfs/dbraw/zinc/22/42/65/628224265.db2.gz VWQCFTRCNJDCRW-UHFFFAOYSA-N 0 3 285.134 2.888 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC[C@H](C)OC ZINC000778165880 628282454 /nfs/dbraw/zinc/28/24/54/628282454.db2.gz UXSWJTUQRXPISH-LBPRGKRZSA-N 0 3 281.783 2.867 20 30 CFEDHN C#CCCCNCc1c(Cl)cccc1OCC#C ZINC000778173836 628283699 /nfs/dbraw/zinc/28/36/99/628283699.db2.gz YSBGEADYOWKUKV-UHFFFAOYSA-N 0 3 261.752 2.855 20 30 CFEDHN N#CCCNC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000778234052 628290598 /nfs/dbraw/zinc/29/05/98/628290598.db2.gz IUVSTSKDBCJGFF-MRXNPFEDSA-N 0 3 285.391 2.537 20 30 CFEDHN C=C(Cl)CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000779106022 628353053 /nfs/dbraw/zinc/35/30/53/628353053.db2.gz KORPBHSYHIXEHC-PWSUYJOCSA-N 0 3 288.819 2.974 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000852096828 634651148 /nfs/dbraw/zinc/65/11/48/634651148.db2.gz GFWMBQGOWIITBP-IJEWVQPXSA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000852098471 634651986 /nfs/dbraw/zinc/65/19/86/634651986.db2.gz OFIAEQQOZDSMGT-YOEHRIQHSA-N 0 3 278.440 2.948 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1Cl ZINC000852097942 634652085 /nfs/dbraw/zinc/65/20/85/634652085.db2.gz ARSXXAZRSZUYNX-MLGOLLRUSA-N 0 3 292.810 2.736 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000852098521 634652097 /nfs/dbraw/zinc/65/20/97/634652097.db2.gz PCVWEGYCTAEKHB-IIYDPXPESA-N 0 3 290.382 2.783 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000852098776 634652999 /nfs/dbraw/zinc/65/29/99/634652999.db2.gz VSGQRHUKTUFFJS-GUYCJALGSA-N 0 3 290.382 2.564 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000852100711 634655695 /nfs/dbraw/zinc/65/56/95/634655695.db2.gz ZSXVVZUSSXRKLF-DYVFJYSZSA-N 0 3 290.382 2.737 20 30 CFEDHN C#C[C@](C)(CC)NCc1cncn1Cc1ccccc1 ZINC000852104045 634658828 /nfs/dbraw/zinc/65/88/28/634658828.db2.gz ZEIRVPKVQBFSLL-QGZVFWFLSA-N 0 3 267.376 2.823 20 30 CFEDHN C#C[C@@](C)(CC)NCc1ccnc(Br)c1 ZINC000852103731 634659622 /nfs/dbraw/zinc/65/96/22/634659622.db2.gz PSEOEJUYLCFGAU-LBPRGKRZSA-N 0 3 267.170 2.736 20 30 CFEDHN CCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)c([O-])c1 ZINC000780781576 628497000 /nfs/dbraw/zinc/49/70/00/628497000.db2.gz GGYWUQUBNPDLAX-UHFFFAOYSA-N 0 3 274.364 2.917 20 30 CFEDHN CCOc1ccc(CN2CCC(C)(C#N)CC2)c(O)c1 ZINC000780781576 628497004 /nfs/dbraw/zinc/49/70/04/628497004.db2.gz GGYWUQUBNPDLAX-UHFFFAOYSA-N 0 3 274.364 2.917 20 30 CFEDHN CC[C@@H](C#N)Oc1cc(CNC2CSC2)ccc1OC ZINC000780875972 628501297 /nfs/dbraw/zinc/50/12/97/628501297.db2.gz CRTBQDYIURWWFH-ZDUSSCGKSA-N 0 3 292.404 2.581 20 30 CFEDHN CC[C@@H](C#N)Oc1cccc(CNC2CSC2)c1 ZINC000780875746 628501486 /nfs/dbraw/zinc/50/14/86/628501486.db2.gz BFCCARPQAAGDCL-ZDUSSCGKSA-N 0 3 262.378 2.573 20 30 CFEDHN CC[C@H](C#N)OC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000781177846 628529900 /nfs/dbraw/zinc/52/99/00/628529900.db2.gz DDNWCJUXRFQPFR-JKSUJKDBSA-N 0 3 286.375 2.744 20 30 CFEDHN CC[C@H](C#N)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000781189238 628531104 /nfs/dbraw/zinc/53/11/04/628531104.db2.gz ZXCBNTUZMGXYFO-MRXNPFEDSA-N 0 3 286.375 2.744 20 30 CFEDHN C[C@H](Cc1cnccn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000781420368 628547174 /nfs/dbraw/zinc/54/71/74/628547174.db2.gz JSVZXFFEIPXWBF-NEPJUHHUSA-N 0 3 284.338 2.769 20 30 CFEDHN C#C[C@H](N[C@@H](C)Cc1ccccc1F)[C@@H]1CCCO1 ZINC000783293557 628697547 /nfs/dbraw/zinc/69/75/47/628697547.db2.gz HIWOVMJYHLGGDS-RCBQFDQVSA-N 0 3 261.340 2.527 20 30 CFEDHN C#C[C@H](N[C@@H](C)Cc1ccccc1F)[C@H]1CCCO1 ZINC000783293559 628697768 /nfs/dbraw/zinc/69/77/68/628697768.db2.gz HIWOVMJYHLGGDS-VBNZEHGJSA-N 0 3 261.340 2.527 20 30 CFEDHN C#C[C@H](N[C@H](C)Cc1ccccc1F)[C@@H]1CCCO1 ZINC000783293556 628697845 /nfs/dbraw/zinc/69/78/45/628697845.db2.gz HIWOVMJYHLGGDS-KCXAZCMYSA-N 0 3 261.340 2.527 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000783727814 628738253 /nfs/dbraw/zinc/73/82/53/628738253.db2.gz FMQYNUKZNYWWKF-XJKSGUPXSA-N 0 3 288.391 2.570 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)c1ccccn1 ZINC000852192864 634684872 /nfs/dbraw/zinc/68/48/72/634684872.db2.gz VKWLOVATZQXOOM-SUMWQHHRSA-N 0 3 281.359 2.680 20 30 CFEDHN C#CCOCCNC(C)(C)c1cc(Cl)ccc1OC ZINC000852191526 634685203 /nfs/dbraw/zinc/68/52/03/634685203.db2.gz ZHPPOJSXRIOPFT-UHFFFAOYSA-N 0 3 281.783 2.823 20 30 CFEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000784489908 628820999 /nfs/dbraw/zinc/82/09/99/628820999.db2.gz ZRVHSXGJQYUYTM-ZWNOBZJWSA-N 0 3 273.311 2.744 20 30 CFEDHN N#CCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785713166 628907359 /nfs/dbraw/zinc/90/73/59/628907359.db2.gz MHZDSKYIONOPIJ-UHFFFAOYSA-N 0 3 272.348 2.743 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CC2)c1 ZINC000786551089 628968375 /nfs/dbraw/zinc/96/83/75/628968375.db2.gz ZYDQNLBXTLRZTC-HNNXBMFYSA-N 0 3 284.359 2.510 20 30 CFEDHN C=CCCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786879008 628982773 /nfs/dbraw/zinc/98/27/73/628982773.db2.gz IBMBFXXVWZGBFZ-AWEZNQCLSA-N 0 3 251.370 2.903 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCC1 ZINC000787065301 628990981 /nfs/dbraw/zinc/99/09/81/628990981.db2.gz FZBORLWFSMRFAD-OAHLLOKOSA-N 0 3 284.359 2.544 20 30 CFEDHN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787066725 628991003 /nfs/dbraw/zinc/99/10/03/628991003.db2.gz OSMOGDWDSPNGMV-HIFRSBDPSA-N 0 3 286.375 2.646 20 30 CFEDHN CC(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070582 628991526 /nfs/dbraw/zinc/99/15/26/628991526.db2.gz YBEIJUCUSYFECN-ARFHVFGLSA-N 0 3 298.386 2.646 20 30 CFEDHN C#CCN(CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787406399 629011390 /nfs/dbraw/zinc/01/13/90/629011390.db2.gz KQOWKFOEKOORQI-JLHYYAGUSA-N 0 3 258.321 2.953 20 30 CFEDHN C#CCC1(C(=O)NC2CCN(CC=C)CC2)CCCCC1 ZINC000788503118 629075544 /nfs/dbraw/zinc/07/55/44/629075544.db2.gz BPWLTSUQWVXGRF-UHFFFAOYSA-N 0 3 288.435 2.727 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000788538911 629080216 /nfs/dbraw/zinc/08/02/16/629080216.db2.gz OXQBYUVTIUUXOS-IAGOWNOFSA-N 0 3 284.359 2.999 20 30 CFEDHN C=CCOCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000788735312 629095458 /nfs/dbraw/zinc/09/54/58/629095458.db2.gz PHSXYZUSAHPZFG-LLVKDONJSA-N 0 3 252.745 2.515 20 30 CFEDHN C[C@@H](C#N)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805899259 629180182 /nfs/dbraw/zinc/18/01/82/629180182.db2.gz OLFHOJJDPBXHAG-ZDUSSCGKSA-N 0 3 272.348 2.599 20 30 CFEDHN C#C[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000805902026 629183849 /nfs/dbraw/zinc/18/38/49/629183849.db2.gz GJXKJPWXDYSWFU-QGZVFWFLSA-N 0 3 283.371 2.851 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000852319076 634719709 /nfs/dbraw/zinc/71/97/09/634719709.db2.gz GIOLGOGRYKLMMG-CQSZACIVSA-N 0 3 269.348 2.715 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000852319024 634720124 /nfs/dbraw/zinc/72/01/24/634720124.db2.gz FJFUHHAXJQICIP-IUODEOHRSA-N 0 3 278.783 2.999 20 30 CFEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1nccc2ccccc21 ZINC000792106598 629397790 /nfs/dbraw/zinc/39/77/90/629397790.db2.gz SDNFWJDRWADDOA-SWLSCSKDSA-N 0 3 280.327 2.838 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CSC3CC3)nc21 ZINC000835174892 629488789 /nfs/dbraw/zinc/48/87/89/629488789.db2.gz WSYSTEXFEBURDL-NSHDSACASA-N 0 3 285.372 2.943 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CSC3CC3)[nH]c21 ZINC000835174892 629488793 /nfs/dbraw/zinc/48/87/93/629488793.db2.gz WSYSTEXFEBURDL-NSHDSACASA-N 0 3 285.372 2.943 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc(Cl)n2)[C@H](C)C1 ZINC000793181227 629500915 /nfs/dbraw/zinc/50/09/15/629500915.db2.gz MKVNIRSESPFHPU-SNVBAGLBSA-N 0 3 266.776 2.863 20 30 CFEDHN COc1ccc(C[NH2+]Cc2ccc(C#N)s2)c([O-])c1 ZINC000793386501 629535927 /nfs/dbraw/zinc/53/59/27/629535927.db2.gz UFOJJCRFOMSGSQ-UHFFFAOYSA-N 0 3 274.345 2.624 20 30 CFEDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c([O-])c1 ZINC000793386425 629535992 /nfs/dbraw/zinc/53/59/92/629535992.db2.gz PWWSUVYVUDXHNI-AAEUAGOBSA-N 0 3 260.337 2.573 20 30 CFEDHN CCC(CC)NN=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794907925 629702854 /nfs/dbraw/zinc/70/28/54/629702854.db2.gz FTLLNSCWVGAWNV-UHFFFAOYSA-N 0 3 285.395 2.875 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000796071022 629872898 /nfs/dbraw/zinc/87/28/98/629872898.db2.gz FXQISPCVMAKSPJ-GOSISDBHSA-N 0 3 298.430 2.613 20 30 CFEDHN C=C(C)CN1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852528298 634771673 /nfs/dbraw/zinc/77/16/73/634771673.db2.gz ZADHEZBMZPVDOS-UHFFFAOYSA-N 0 3 266.385 2.552 20 30 CFEDHN C#CCCCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000796314855 629902494 /nfs/dbraw/zinc/90/24/94/629902494.db2.gz GAOHSZVDWARNMS-UHFFFAOYSA-N 0 3 288.782 2.732 20 30 CFEDHN CC#CCN1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796411810 629915183 /nfs/dbraw/zinc/91/51/83/629915183.db2.gz AZKFRYYSUDKRQU-QGZVFWFLSA-N 0 3 257.377 2.764 20 30 CFEDHN COc1ccc(N2CCC(NCC3(C#N)CC3)CC2)cc1 ZINC000797604927 630088182 /nfs/dbraw/zinc/08/81/82/630088182.db2.gz FOHFLJYAFQGWJT-UHFFFAOYSA-N 0 3 285.391 2.557 20 30 CFEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103638833 630305398 /nfs/dbraw/zinc/30/53/98/630305398.db2.gz KMOUPKHQUOIDRS-DOMZBBRYSA-N 0 3 284.359 2.558 20 30 CFEDHN C=CCCCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552613 630457532 /nfs/dbraw/zinc/45/75/32/630457532.db2.gz FZYGMBRSSNVPJC-UHFFFAOYSA-N 0 3 284.407 2.822 20 30 CFEDHN C=CCC[C@@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000801874387 630483287 /nfs/dbraw/zinc/48/32/87/630483287.db2.gz FBUIHCLMYMSHDM-GFCCVEGCSA-N 0 3 251.370 2.759 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@H]1c1cccc(F)c1 ZINC000801913620 630486111 /nfs/dbraw/zinc/48/61/11/630486111.db2.gz YNPFVXNNYAMDMK-WFASDCNBSA-N 0 3 262.328 2.891 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000801926773 630490348 /nfs/dbraw/zinc/49/03/48/630490348.db2.gz ZPAMWPANZXGQJT-MGPQQGTHSA-N 0 3 262.353 2.981 20 30 CFEDHN CCc1nc2c(s1)[C@@H](N(C)CCO[C@@H](C)C#N)CCC2 ZINC000801934479 630490711 /nfs/dbraw/zinc/49/07/11/630490711.db2.gz MTTCUYOHYUNHPE-AAEUAGOBSA-N 0 3 293.436 2.943 20 30 CFEDHN Cc1nc2c(s1)[C@H](N(C)CCO[C@@H](C)C#N)CCC2 ZINC000801932864 630490873 /nfs/dbraw/zinc/49/08/73/630490873.db2.gz ZXAOBGCZYBDGDA-GXFFZTMASA-N 0 3 279.409 2.689 20 30 CFEDHN CC(C)Oc1cccc(CN(C)CCO[C@H](C)C#N)c1 ZINC000801936456 630491855 /nfs/dbraw/zinc/49/18/55/630491855.db2.gz PTMPKSHRLCXQEB-CQSZACIVSA-N 0 3 276.380 2.834 20 30 CFEDHN Cc1cnc(C2CCN(CCO[C@@H](C)C#N)CC2)s1 ZINC000801951209 630494579 /nfs/dbraw/zinc/49/45/79/630494579.db2.gz SIZKGMIJOQCAFX-NSHDSACASA-N 0 3 279.409 2.560 20 30 CFEDHN C=C(C)CN(CCO[C@H](C)C#N)Cc1ccccc1 ZINC000801952344 630495240 /nfs/dbraw/zinc/49/52/40/630495240.db2.gz UDEYUVLETLTYAQ-OAHLLOKOSA-N 0 3 258.365 2.993 20 30 CFEDHN N#CC(C(=O)C1=CCOCC1)c1nccc2ccccc21 ZINC000802226146 630514612 /nfs/dbraw/zinc/51/46/12/630514612.db2.gz CXIXEPGIRFFGMJ-OAHLLOKOSA-N 0 3 278.311 2.758 20 30 CFEDHN COC[C@@H](NCCO[C@H](C)C#N)c1cccc(Cl)c1 ZINC000808798161 630533902 /nfs/dbraw/zinc/53/39/02/630533902.db2.gz JLCWYUWFCHQTAV-BXUZGUMPSA-N 0 3 282.771 2.546 20 30 CFEDHN C=C(C)COCCN[C@H]1CCc2nc(Cl)ccc21 ZINC000806147453 630774429 /nfs/dbraw/zinc/77/44/29/630774429.db2.gz JBCUHHAJJNZLDA-LBPRGKRZSA-N 0 3 266.772 2.905 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(C)CCC1CCCCC1 ZINC000836487372 630833152 /nfs/dbraw/zinc/83/31/52/630833152.db2.gz FCYREHRTTACUNT-UHFFFAOYSA-N 0 3 293.455 2.553 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000807441241 630886726 /nfs/dbraw/zinc/88/67/26/630886726.db2.gz DGLAFXOQWVPNBB-RYUDHWBXSA-N 0 3 299.802 2.761 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000807441240 630887017 /nfs/dbraw/zinc/88/70/17/630887017.db2.gz DGLAFXOQWVPNBB-NWDGAFQWSA-N 0 3 299.802 2.761 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1cnccc1N(C)C ZINC000807989113 630932290 /nfs/dbraw/zinc/93/22/90/630932290.db2.gz KVBLXNFALSVJDI-UHFFFAOYSA-N 0 3 299.334 2.810 20 30 CFEDHN CC(C)(C)C#CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000837318070 630996910 /nfs/dbraw/zinc/99/69/10/630996910.db2.gz ROKLFQWOIIRXJF-QGZVFWFLSA-N 0 3 298.430 2.989 20 30 CFEDHN CC(C)(C)C#CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000837330469 631001662 /nfs/dbraw/zinc/00/16/62/631001662.db2.gz YAYAYBWTYOFAIN-KRWDZBQOSA-N 0 3 298.430 2.989 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C#CC(C)(C)C ZINC000837513162 631051890 /nfs/dbraw/zinc/05/18/90/631051890.db2.gz ARHJVLORJGHZGJ-OAHLLOKOSA-N 0 3 286.419 2.673 20 30 CFEDHN C#CCC(C)(C)C(=O)OCCN(C)Cc1ccccc1 ZINC000837639605 631094843 /nfs/dbraw/zinc/09/48/43/631094843.db2.gz IIVCWEJZJDNUOE-UHFFFAOYSA-N 0 3 273.376 2.711 20 30 CFEDHN C=CC(C)(C)C(=O)OCCN(C)Cc1ccccc1 ZINC000837863007 631143686 /nfs/dbraw/zinc/14/36/86/631143686.db2.gz XQFLRWUQLPNKQU-UHFFFAOYSA-N 0 3 261.365 2.874 20 30 CFEDHN N#CC[C@@H](O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000809573645 631236987 /nfs/dbraw/zinc/23/69/87/631236987.db2.gz TYJMSKIEVKOZHP-IEBWSBKVSA-N 0 3 292.382 2.909 20 30 CFEDHN N#CC[C@@H](O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000809573646 631237372 /nfs/dbraw/zinc/23/73/72/631237372.db2.gz TYJMSKIEVKOZHP-MJGOQNOKSA-N 0 3 292.382 2.909 20 30 CFEDHN C=CCN1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000809568597 631237542 /nfs/dbraw/zinc/23/75/42/631237542.db2.gz BBOAIZRBZHNKDV-UHFFFAOYSA-N 0 3 280.412 2.942 20 30 CFEDHN N#CC[C@@H](O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000809576173 631239187 /nfs/dbraw/zinc/23/91/87/631239187.db2.gz QQKZTINFKALQIR-CABCVRRESA-N 0 3 262.328 2.531 20 30 CFEDHN C#Cc1ccc(CNCc2cccc(OCCOC)c2)cc1 ZINC000809606922 631244829 /nfs/dbraw/zinc/24/48/29/631244829.db2.gz JIISLWJUTJOERT-UHFFFAOYSA-N 0 3 295.382 2.983 20 30 CFEDHN C#Cc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000809612537 631246947 /nfs/dbraw/zinc/24/69/47/631246947.db2.gz QDPPRQJRUFVFLH-UHFFFAOYSA-N 0 3 263.340 2.893 20 30 CFEDHN C#Cc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[n-]2)cc1 ZINC000809633056 631251669 /nfs/dbraw/zinc/25/16/69/631251669.db2.gz BQEBLUGUNFIMRW-UHFFFAOYSA-N 0 3 288.354 2.743 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000809683855 631261336 /nfs/dbraw/zinc/26/13/36/631261336.db2.gz IARHTSVGGKJVNP-ZDUSSCGKSA-N 0 3 261.365 2.841 20 30 CFEDHN C#C[C@H](NCc1cn(-c2ccccc2)nc1C)C(C)C ZINC000809685359 631262675 /nfs/dbraw/zinc/26/26/75/631262675.db2.gz PIFBMVQLUKREPI-KRWDZBQOSA-N 0 3 267.376 2.928 20 30 CFEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2cccc(C#N)c2)C1 ZINC000809996889 631311931 /nfs/dbraw/zinc/31/19/31/631311931.db2.gz QNLDKJCXARCDCS-MRXNPFEDSA-N 0 3 289.354 2.709 20 30 CFEDHN c1ccc([C@@H]2CC(=NN3CCOCC3)CCN2C2CC2)cc1 ZINC000841606093 631429045 /nfs/dbraw/zinc/42/90/45/631429045.db2.gz YHZOXEMEYIVUOE-SFHVURJKSA-N 0 3 299.418 2.674 20 30 CFEDHN C[C@@H](O)CN(C)N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000841653665 631444697 /nfs/dbraw/zinc/44/46/97/631444697.db2.gz PXQOUHUJPRPNKD-FOCJWIDLSA-N 0 3 287.407 2.596 20 30 CFEDHN C=CCCCCCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000841903464 631491331 /nfs/dbraw/zinc/49/13/31/631491331.db2.gz SFEYFEMHZASWOA-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C[C@]1(CCNC[C@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842156121 631555223 /nfs/dbraw/zinc/55/52/23/631555223.db2.gz LTGNUYHUBRRGHZ-QWRGUYRKSA-N 0 3 274.195 2.994 20 30 CFEDHN CCN(CCO)N=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000842535255 631655003 /nfs/dbraw/zinc/65/50/03/631655003.db2.gz HFRVKZXHFNMPCH-GJWZEZQRSA-N 0 3 287.407 2.598 20 30 CFEDHN C#C[C@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000812045601 631655746 /nfs/dbraw/zinc/65/57/46/631655746.db2.gz NFJKEVYUEKPKIZ-DOTOQJQBSA-N 0 3 299.418 2.535 20 30 CFEDHN C#C[C@H](NC(=O)[C@H](C(C)C)N(C)C)c1ccc(Cl)cc1 ZINC000812351106 631694502 /nfs/dbraw/zinc/69/45/02/631694502.db2.gz GCDWAYRUNKBKII-GJZGRUSLSA-N 0 3 292.810 2.717 20 30 CFEDHN CCCCCCCCNCc1cncnc1OC ZINC000842662107 631696281 /nfs/dbraw/zinc/69/62/81/631696281.db2.gz OFKYPLXMCVVBPL-UHFFFAOYSA-N 0 3 251.374 2.935 20 30 CFEDHN N#CC(C(=O)[C@H]1CCC(=O)C1)c1ccc2ccccc2n1 ZINC000842681854 631706346 /nfs/dbraw/zinc/70/63/46/631706346.db2.gz IKPCBLGVTOCZHJ-JSGCOSHPSA-N 0 3 278.311 2.780 20 30 CFEDHN C#CCN(Cc1ccccc1)CC1(COC)CCC1 ZINC000812843919 631795411 /nfs/dbraw/zinc/79/54/11/631795411.db2.gz GBYHUSREUDVIHQ-UHFFFAOYSA-N 0 3 257.377 2.939 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](OC(C)C)C1 ZINC000843413701 631947804 /nfs/dbraw/zinc/94/78/04/631947804.db2.gz NELLHZFAHRIBPW-MRXNPFEDSA-N 0 3 273.376 2.698 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccnn2CC(C)C)C1 ZINC000843424245 631953444 /nfs/dbraw/zinc/95/34/44/631953444.db2.gz WPRITRBTGRKAOE-OAHLLOKOSA-N 0 3 259.397 2.774 20 30 CFEDHN C#CC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000843428662 631955461 /nfs/dbraw/zinc/95/54/61/631955461.db2.gz LOSOCDLTAJOAHJ-UHFFFAOYSA-N 0 3 258.321 2.748 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)SC ZINC000156290987 650051690 /nfs/dbraw/zinc/05/16/90/650051690.db2.gz SNMWENPJNZVKPT-NEPJUHHUSA-N 0 3 284.425 2.533 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814661677 632104884 /nfs/dbraw/zinc/10/48/84/632104884.db2.gz RMKXZLQDCHYFTB-CYBMUJFWSA-N 0 3 272.348 2.707 20 30 CFEDHN C#CCN(CCOCC=C)[C@H]1CCc2ccccc21 ZINC000815023525 632188575 /nfs/dbraw/zinc/18/85/75/632188575.db2.gz XMADSOOWWHVRPJ-KRWDZBQOSA-N 0 3 255.361 2.812 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000815170875 632222312 /nfs/dbraw/zinc/22/23/12/632222312.db2.gz DTXITMWIMCGTIO-ZDUSSCGKSA-N 0 3 288.382 2.969 20 30 CFEDHN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)/C=C\c1ccccc1C#N ZINC000844647602 632273796 /nfs/dbraw/zinc/27/37/96/632273796.db2.gz ZJYXRKLBUHTNAS-YQJRRPNCSA-N 0 3 297.402 2.511 20 30 CFEDHN N#CC(C(=O)CCc1cncs1)c1nc2ccccc2[nH]1 ZINC000815898219 632329501 /nfs/dbraw/zinc/32/95/01/632329501.db2.gz WQTPFBPQRBDAOW-LLVKDONJSA-N 0 3 296.355 2.828 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C)C[C@@H]2CC)cc1 ZINC000816661017 632507348 /nfs/dbraw/zinc/50/73/48/632507348.db2.gz YGBWIDCVSSXQPA-KRWDZBQOSA-N 0 3 286.419 2.615 20 30 CFEDHN C#CCOc1ccccc1CN1CCCO[C@H](C(C)C)C1 ZINC000816675821 632510332 /nfs/dbraw/zinc/51/03/32/632510332.db2.gz MCPUZASGKKUVOO-SFHVURJKSA-N 0 3 287.403 2.946 20 30 CFEDHN C=C[C@@H](C)O[N-]C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000846549204 632737702 /nfs/dbraw/zinc/73/77/02/632737702.db2.gz IQWZRNLCMQDMDQ-CQSZACIVSA-N 0 3 288.391 2.521 20 30 CFEDHN C=C[C@H](C)O[N-]C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000846550750 632738057 /nfs/dbraw/zinc/73/80/57/632738057.db2.gz OZLBMFVIGNZKDC-HOCLYGCPSA-N 0 3 288.391 2.521 20 30 CFEDHN C=C[C@H](C)O[N-]C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000846550750 632738067 /nfs/dbraw/zinc/73/80/67/632738067.db2.gz OZLBMFVIGNZKDC-HOCLYGCPSA-N 0 3 288.391 2.521 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(C(OC)OC)ccc1F ZINC000818216620 632814940 /nfs/dbraw/zinc/81/49/40/632814940.db2.gz XFETXFYCVZZAQB-CQSZACIVSA-N 0 3 297.370 2.534 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000818595711 632876463 /nfs/dbraw/zinc/87/64/63/632876463.db2.gz KPQJIFJTDLEVCC-IXDOHACOSA-N 0 3 290.451 2.664 20 30 CFEDHN C#C[C@H]1CCCN(CCOc2ccccc2OCC)C1 ZINC000847023548 632889003 /nfs/dbraw/zinc/88/90/03/632889003.db2.gz DNEMGGQFIVPWDG-HNNXBMFYSA-N 0 3 273.376 2.809 20 30 CFEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCCc3occc32)cc1 ZINC000818947833 632912879 /nfs/dbraw/zinc/91/28/79/632912879.db2.gz SGAZWARZXUVMRH-HZPDHXFCSA-N 0 3 282.343 2.852 20 30 CFEDHN COc1cc(C)ccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819152418 632987430 /nfs/dbraw/zinc/98/74/30/632987430.db2.gz SUSVAKLUZJSKNN-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847624265 633010857 /nfs/dbraw/zinc/01/08/57/633010857.db2.gz NETZHIKKZCHABR-AWEZNQCLSA-N 0 3 276.380 2.748 20 30 CFEDHN C[C@H](COC(=O)c1cccc(CC#N)c1)N1CCCCC1 ZINC000847958519 633165942 /nfs/dbraw/zinc/16/59/42/633165942.db2.gz BUAKSMZLXXHPFP-CQSZACIVSA-N 0 3 286.375 2.784 20 30 CFEDHN Clc1cnccc1N=NC1CCCN2CCCC[C@H]12 ZINC000848408038 633251141 /nfs/dbraw/zinc/25/11/41/633251141.db2.gz YNBMITVSMUUBND-CQSZACIVSA-N 0 3 278.787 2.573 20 30 CFEDHN CCN(CC)c1ccc(C=NNCCCn2ccnc2)cc1 ZINC000848419878 633255814 /nfs/dbraw/zinc/25/58/14/633255814.db2.gz HYGHSBHCFDYMTE-UHFFFAOYSA-N 0 3 299.422 2.743 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000848923291 633406040 /nfs/dbraw/zinc/40/60/40/633406040.db2.gz ICYFSVAZEFWZPN-GFCCVEGCSA-N 0 3 271.389 2.983 20 30 CFEDHN C#C[C@H]1CCC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000848924722 633407216 /nfs/dbraw/zinc/40/72/16/633407216.db2.gz YVKWZKWMYNWDNK-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000848924722 633407222 /nfs/dbraw/zinc/40/72/22/633407222.db2.gz YVKWZKWMYNWDNK-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C=CCCn1cc(CNCC[C@@]2(C)C[C@@]2(F)Cl)nn1 ZINC000850338643 633944379 /nfs/dbraw/zinc/94/43/79/633944379.db2.gz JVHKGMQLCLIFIY-STQMWFEESA-N 0 3 286.782 2.649 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nn(CC)nc1C ZINC000850343010 633946665 /nfs/dbraw/zinc/94/66/65/633946665.db2.gz XRBCLOPACCQHTL-ZIAGYGMSSA-N 0 3 262.401 2.831 20 30 CFEDHN C#CCOc1ccccc1CN[C@H](CC)COCC1CC1 ZINC000850349299 633949883 /nfs/dbraw/zinc/94/98/83/633949883.db2.gz FCPADDDWBSABKT-QGZVFWFLSA-N 0 3 287.403 2.993 20 30 CFEDHN C=C(Br)CN[C@H](C)CSCCF ZINC000850431981 633989432 /nfs/dbraw/zinc/98/94/32/633989432.db2.gz OFJVEHJZVCDINE-MRVPVSSYSA-N 0 3 256.184 2.576 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](C)CC#N)c1ccccc1 ZINC000850978577 634163218 /nfs/dbraw/zinc/16/32/18/634163218.db2.gz VYNFTBUOIXMWLZ-YUELXQCFSA-N 0 3 297.358 2.513 20 30 CFEDHN C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000109773401 634234788 /nfs/dbraw/zinc/23/47/88/634234788.db2.gz ZBLFGOUMESHWHD-UHFFFAOYSA-N 0 3 252.317 2.896 20 30 CFEDHN C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000109773401 634234789 /nfs/dbraw/zinc/23/47/89/634234789.db2.gz ZBLFGOUMESHWHD-UHFFFAOYSA-N 0 3 252.317 2.896 20 30 CFEDHN C#Cc1cccnc1NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000853089555 634900544 /nfs/dbraw/zinc/90/05/44/634900544.db2.gz VOTXQJYTEMSYHY-KRWDZBQOSA-N 0 3 295.386 2.786 20 30 CFEDHN C[C@H]1CCCN1CCNc1nc(C#N)c(Cl)s1 ZINC000853389890 634990605 /nfs/dbraw/zinc/99/06/05/634990605.db2.gz CUDLOTKEBZJZCX-QMMMGPOBSA-N 0 3 270.789 2.564 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccnc(Cl)c2)CN1C1CC1 ZINC000853395357 634992143 /nfs/dbraw/zinc/99/21/43/634992143.db2.gz UNZWFZOUPYNTCH-SECBINFHSA-N 0 3 264.760 2.760 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000853537187 635031953 /nfs/dbraw/zinc/03/19/53/635031953.db2.gz QSQSBPGNZLBFMQ-ZFWWWQNUSA-N 0 3 276.424 2.879 20 30 CFEDHN C=CCCCN1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081959 635208316 /nfs/dbraw/zinc/20/83/16/635208316.db2.gz ODLGDXZWWQSJGF-UHFFFAOYSA-N 0 3 284.363 2.671 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2CC=C)CC1 ZINC000855169938 635476680 /nfs/dbraw/zinc/47/66/80/635476680.db2.gz GZMSPUPTZWUDMK-NVXWUHKLSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCSCCN[C@@H]1CCc2ccc(Cl)nc21 ZINC000857906558 636059540 /nfs/dbraw/zinc/05/95/40/636059540.db2.gz ZEWOQRKOCFPFHO-LLVKDONJSA-N 0 3 266.797 2.678 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(N(CC)CC)c(F)c1 ZINC000858335419 636195277 /nfs/dbraw/zinc/19/52/77/636195277.db2.gz UMPNIKUGUCJJJN-HNNXBMFYSA-N 0 3 292.398 2.800 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc2nc(C)sc2c1 ZINC000858335407 636195443 /nfs/dbraw/zinc/19/54/43/636195443.db2.gz TVPFQKQFNVYRNM-ZDUSSCGKSA-N 0 3 274.389 2.733 20 30 CFEDHN C#CC[C@@H](COC)NCc1cnc(-c2ccccc2)s1 ZINC000858335218 636195472 /nfs/dbraw/zinc/19/54/72/636195472.db2.gz PBEIVHFADKSFBM-AWEZNQCLSA-N 0 3 286.400 2.938 20 30 CFEDHN CCCCCCCCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000116309151 636337050 /nfs/dbraw/zinc/33/70/50/636337050.db2.gz AFOFPQZZBKMLTG-KBPBESRZSA-N 0 3 254.418 2.946 20 30 CFEDHN C#CCN(CCOC1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000859090589 636449854 /nfs/dbraw/zinc/44/98/54/636449854.db2.gz UZBGMBDTWWPESD-LJQANCHMSA-N 0 3 299.414 2.805 20 30 CFEDHN C#CCCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000859501064 636582544 /nfs/dbraw/zinc/58/25/44/636582544.db2.gz AFWRKJFFFAXFPM-DGCLKSJQSA-N 0 3 269.266 2.534 20 30 CFEDHN C=CCC1([NH2+]CCC[N-]C(=O)C(F)(F)F)CCCCC1 ZINC000859743570 636675854 /nfs/dbraw/zinc/67/58/54/636675854.db2.gz FFNJQHIOPRLENL-UHFFFAOYSA-N 0 3 292.345 2.924 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015690677 651210132 /nfs/dbraw/zinc/21/01/32/651210132.db2.gz WSHLVFNXFOHHEX-JSGCOSHPSA-N 0 3 278.421 2.618 20 30 CFEDHN C#C[C@@H](NCc1ccc(Cl)c(OC)c1)C1CCOCC1 ZINC000862419890 637372576 /nfs/dbraw/zinc/37/25/76/637372576.db2.gz UAHGKVPSUPIHLI-OAHLLOKOSA-N 0 3 293.794 2.867 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(CCOC)CC1 ZINC000862437933 637377865 /nfs/dbraw/zinc/37/78/65/637377865.db2.gz VSWFGLWKXXOISI-UHFFFAOYSA-N 0 3 287.403 2.947 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862448556 637389762 /nfs/dbraw/zinc/38/97/62/637389762.db2.gz ZWPLJKZPQBVARQ-LBPRGKRZSA-N 0 3 278.346 2.876 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cc2ccccc2nc1OC ZINC000862547494 637419421 /nfs/dbraw/zinc/41/94/21/637419421.db2.gz HVMWGXUXVXWOBD-INIZCTEOSA-N 0 3 298.386 2.761 20 30 CFEDHN C#CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000862563078 637430423 /nfs/dbraw/zinc/43/04/23/637430423.db2.gz IMOCIIHXGLFDSI-AEFFLSMTSA-N 0 3 296.414 2.523 20 30 CFEDHN Cc1cc(NN=C2CSCCc3ccccc32)ccn1 ZINC000863159038 637572588 /nfs/dbraw/zinc/57/25/88/637572588.db2.gz AEFQWAQCNOOEMF-UHFFFAOYSA-N 0 3 283.400 2.917 20 30 CFEDHN CCc1nc(C)c(C(C)=NNc2ccnc(C)c2)s1 ZINC000863158777 637573085 /nfs/dbraw/zinc/57/30/85/637573085.db2.gz QHYPZBLQIXGBII-UHFFFAOYSA-N 0 3 274.393 2.975 20 30 CFEDHN COc1ccc(C(C)=Nn2cccn2)cc1CN1CCCC1 ZINC000863165620 637577469 /nfs/dbraw/zinc/57/74/69/637577469.db2.gz HTDBTGVAWPHDPR-UHFFFAOYSA-N 0 3 298.390 2.760 20 30 CFEDHN C#CCSCCNCc1ccc(Cl)cc1F ZINC000189354940 650376852 /nfs/dbraw/zinc/37/68/52/650376852.db2.gz OOGFSQPKAUHFCF-UHFFFAOYSA-N 0 3 257.761 2.935 20 30 CFEDHN CC1(c2ccc(Cl)cc2)CCN(C[C@H](O)CC#N)CC1 ZINC000930271563 637941678 /nfs/dbraw/zinc/94/16/78/637941678.db2.gz ZKBCPXCWRKBKRI-OAHLLOKOSA-N 0 3 292.810 2.968 20 30 CFEDHN CCCCOCCNCc1cc(C#N)ccc1N(C)C ZINC000865435301 638331862 /nfs/dbraw/zinc/33/18/62/638331862.db2.gz GICZRSUJEPDWGX-UHFFFAOYSA-N 0 3 275.396 2.531 20 30 CFEDHN C=CCSCCNCc1cnc(Cl)c(F)c1 ZINC000865450905 638343012 /nfs/dbraw/zinc/34/30/12/638343012.db2.gz WMGJVFBXPNJMSD-UHFFFAOYSA-N 0 3 260.765 2.883 20 30 CFEDHN C=C(C)COCCNCc1cc(F)ccc1N(C)C ZINC000865493546 638377831 /nfs/dbraw/zinc/37/78/31/638377831.db2.gz LWXQQNYDFQYDFD-UHFFFAOYSA-N 0 3 266.360 2.574 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc(C(C)(C)C)cs1 ZINC000865520495 638392677 /nfs/dbraw/zinc/39/26/77/638392677.db2.gz REBLIWHVRAXWBW-NSHDSACASA-N 0 3 268.426 2.715 20 30 CFEDHN C=CCCn1cc(CNCC2CCC3(CC3)CC2)nn1 ZINC000865721804 638535219 /nfs/dbraw/zinc/53/52/19/638535219.db2.gz GNHFNIYVLCRVLQ-UHFFFAOYSA-N 0 3 274.412 2.914 20 30 CFEDHN Cn1cc(C(F)F)c(CNCC(C)(C)CCC#N)n1 ZINC000865809011 638586635 /nfs/dbraw/zinc/58/66/35/638586635.db2.gz WCQYISKGUNWUEV-UHFFFAOYSA-N 0 3 270.327 2.777 20 30 CFEDHN CC(C)CN(C)CCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866381778 638810103 /nfs/dbraw/zinc/81/01/03/638810103.db2.gz OIIZLAXJQODKDZ-CQSZACIVSA-N 0 3 289.423 2.892 20 30 CFEDHN Cc1cccc(CO[C@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000870288267 639581995 /nfs/dbraw/zinc/58/19/95/639581995.db2.gz OUJUJIDVYJZJMM-HIFRSBDPSA-N 0 3 295.342 2.567 20 30 CFEDHN CCCCCCN(C)CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000870672153 639763040 /nfs/dbraw/zinc/76/30/40/639763040.db2.gz JVZUEHLFDDYPTQ-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](O)c1ccco1 ZINC000078878735 650540104 /nfs/dbraw/zinc/54/01/04/650540104.db2.gz VNLJAXSPSBXQTP-AWEZNQCLSA-N 0 3 273.332 2.668 20 30 CFEDHN CCOc1ccc(O)c(CN2CCC(C#N)CC2)c1 ZINC000123762077 641440118 /nfs/dbraw/zinc/44/01/18/641440118.db2.gz PSKWASAMVUEOSM-UHFFFAOYSA-N 0 3 260.337 2.526 20 30 CFEDHN CC[C@H](NCC1(CC#N)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871884616 641500113 /nfs/dbraw/zinc/50/01/13/641500113.db2.gz CURSHSDZNBJQHM-HNNXBMFYSA-N 0 3 285.391 2.996 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000871938461 641518282 /nfs/dbraw/zinc/51/82/82/641518282.db2.gz AAIIAIQMASSIFU-DJIMGWMZSA-N 0 3 284.403 2.598 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062579 641594321 /nfs/dbraw/zinc/59/43/21/641594321.db2.gz NIVQJADHGXUUHI-MNOVXSKESA-N 0 3 296.392 2.904 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(O)ccc1F ZINC000872078069 641610484 /nfs/dbraw/zinc/61/04/84/641610484.db2.gz OTOFHPWZHKHHTE-QWRGUYRKSA-N 0 3 253.317 2.509 20 30 CFEDHN CCNc1ccccc1C=NNC[C@@H]1CCSC1 ZINC000872374586 641778500 /nfs/dbraw/zinc/77/85/00/641778500.db2.gz DJGURCPPTHKMIJ-LBPRGKRZSA-N 0 3 263.410 2.795 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000872966238 641972938 /nfs/dbraw/zinc/97/29/38/641972938.db2.gz LXXKHAWZVWDGPU-CQSZACIVSA-N 0 3 293.455 2.928 20 30 CFEDHN C=CCCOCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873098635 642012320 /nfs/dbraw/zinc/01/23/20/642012320.db2.gz SYSGZKAJUXHGRU-UHFFFAOYSA-N 0 3 278.352 2.894 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cn(-c3ccccc3)nn2)CC1 ZINC000873198456 642063084 /nfs/dbraw/zinc/06/30/84/642063084.db2.gz LAJVGPSXLUQNBO-SHTZXODSSA-N 0 3 280.375 2.549 20 30 CFEDHN C=CCN(Cc1cnc(N)cn1)CC1CCCCC1 ZINC000873204476 642065325 /nfs/dbraw/zinc/06/53/25/642065325.db2.gz DBVWDOHIOJHOKY-UHFFFAOYSA-N 0 3 260.385 2.627 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)C(C)C ZINC000876550169 642918700 /nfs/dbraw/zinc/91/87/00/642918700.db2.gz RIPUIAOKIFLWFK-AWEZNQCLSA-N 0 3 280.799 2.894 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)Cc1ccccc1 ZINC000876554980 642919645 /nfs/dbraw/zinc/91/96/45/642919645.db2.gz WWEZBCDENMJPKB-AWEZNQCLSA-N 0 3 280.799 2.895 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2cc(C)ccc21 ZINC000876559016 642922293 /nfs/dbraw/zinc/92/22/93/642922293.db2.gz ULJJRPCTSKSOCY-CYBMUJFWSA-N 0 3 278.783 2.744 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000876566889 642926013 /nfs/dbraw/zinc/92/60/13/642926013.db2.gz WLQGATMVPFUEMZ-AWEZNQCLSA-N 0 3 296.773 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000876568884 642927459 /nfs/dbraw/zinc/92/74/59/642927459.db2.gz AELGBEOUHBMRFN-ZDUSSCGKSA-N 0 3 278.783 2.652 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000876571008 642928744 /nfs/dbraw/zinc/92/87/44/642928744.db2.gz RJJFPGLQGBWHSU-BXUZGUMPSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1cccc(C)c1 ZINC000876575391 642930188 /nfs/dbraw/zinc/93/01/88/642930188.db2.gz CSQXKQICXJMHGI-ZDUSSCGKSA-N 0 3 266.772 2.818 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000876577920 642931390 /nfs/dbraw/zinc/93/13/90/642931390.db2.gz UTAGVFPARHSGDC-CYBMUJFWSA-N 0 3 282.771 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccccc1 ZINC000876580231 642933091 /nfs/dbraw/zinc/93/30/91/642933091.db2.gz RTHHYSHLDQCYDT-LBPRGKRZSA-N 0 3 266.772 2.508 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1OCC ZINC000876595403 642939041 /nfs/dbraw/zinc/93/90/41/642939041.db2.gz GMHREWLXEMVZMG-LLVKDONJSA-N 0 3 282.771 2.802 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccc(OC)cc1 ZINC000876607463 642942739 /nfs/dbraw/zinc/94/27/39/642942739.db2.gz NKMCGDUERITYCX-AWEZNQCLSA-N 0 3 296.798 2.514 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000876613285 642944458 /nfs/dbraw/zinc/94/44/58/642944458.db2.gz AVBBVNVHHPVMSV-OLZOCXBDSA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000876613284 642945014 /nfs/dbraw/zinc/94/50/14/642945014.db2.gz AVBBVNVHHPVMSV-CHWSQXEVSA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000876613287 642945184 /nfs/dbraw/zinc/94/51/84/642945184.db2.gz AVBBVNVHHPVMSV-STQMWFEESA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2cc(C)ccc21 ZINC000876616994 642946915 /nfs/dbraw/zinc/94/69/15/642946915.db2.gz ZFUOBZGPGWROFC-KBPBESRZSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1cccc(C)c1 ZINC000876627276 642950374 /nfs/dbraw/zinc/95/03/74/642950374.db2.gz FGTCJIBEEVLIAU-CQSZACIVSA-N 0 3 294.826 2.859 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC)Cc1ccccc1O ZINC000876632592 642950884 /nfs/dbraw/zinc/95/08/84/642950884.db2.gz LUUGMOOMENHRNN-ZDUSSCGKSA-N 0 3 296.798 2.601 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000876643059 642955196 /nfs/dbraw/zinc/95/51/96/642955196.db2.gz SFBHXJVVWSYUBG-RISCZKNCSA-N 0 3 280.799 2.718 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCCc1ccccc1 ZINC000876643635 642956125 /nfs/dbraw/zinc/95/61/25/642956125.db2.gz IOSREAAWRUNNGQ-HNNXBMFYSA-N 0 3 294.826 2.986 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000876653731 642959826 /nfs/dbraw/zinc/95/98/26/642959826.db2.gz VBFIOGWKVDMBSH-HIFRSBDPSA-N 0 3 280.799 2.898 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)c1cccs1 ZINC000876664555 642963746 /nfs/dbraw/zinc/96/37/46/642963746.db2.gz WAWSNYLXJTVJRG-SECBINFHSA-N 0 3 272.801 2.569 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000876665451 642963867 /nfs/dbraw/zinc/96/38/67/642963867.db2.gz BFPKEWIDRSNMSU-LLVKDONJSA-N 0 3 285.174 2.699 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCCC)C1CCC1 ZINC000876666974 642964384 /nfs/dbraw/zinc/96/43/84/642964384.db2.gz ZSPIAJYQZFCHKH-QWHCGFSZSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000876673429 642967613 /nfs/dbraw/zinc/96/76/13/642967613.db2.gz NDYGLRGMWTVOOG-BXKDBHETSA-N 0 3 286.828 2.574 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000876683789 642971695 /nfs/dbraw/zinc/97/16/95/642971695.db2.gz 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/nfs/dbraw/zinc/04/40/99/643044099.db2.gz WPYKWUPUTCWQKY-LLVKDONJSA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)c(O)c(C)c1C ZINC000876883870 643049931 /nfs/dbraw/zinc/04/99/31/643049931.db2.gz MRRGWVGOXDVJJS-NSHDSACASA-N 0 3 282.771 2.726 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(F)cc1C ZINC000876888782 643053119 /nfs/dbraw/zinc/05/31/19/643053119.db2.gz GJJSXBGXHLVDGZ-ZDUSSCGKSA-N 0 3 284.762 2.562 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1CCC(C)C ZINC000876896403 643055673 /nfs/dbraw/zinc/05/56/73/643055673.db2.gz CDRZTMNMVDUNEO-OLZOCXBDSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccccc1OCC ZINC000876903258 643059057 /nfs/dbraw/zinc/05/90/57/643059057.db2.gz UQEGRKWQTQPZDK-NSHDSACASA-N 0 3 282.771 2.518 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)(C(C)C)CC1 ZINC000876908125 643059972 /nfs/dbraw/zinc/05/99/72/643059972.db2.gz ZVIFUOVTSQPDPA-GFCCVEGCSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)c2cccc(O)c21 ZINC000876908181 643061254 /nfs/dbraw/zinc/06/12/54/643061254.db2.gz KTQFOOZKIQSTHG-SKDRFNHKSA-N 0 3 294.782 2.702 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000876940430 643074363 /nfs/dbraw/zinc/07/43/63/643074363.db2.gz UUUNLEJWHVLARB-STQMWFEESA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000876957118 643079543 /nfs/dbraw/zinc/07/95/43/643079543.db2.gz URVFDOCYCLZJSD-CABCVRRESA-N 0 3 292.810 2.863 20 30 CFEDHN CCCCCCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000876988296 643093873 /nfs/dbraw/zinc/09/38/73/643093873.db2.gz YCEMJQJHLIUZBI-UHFFFAOYSA-N 0 3 274.408 2.569 20 30 CFEDHN COCCCCCNCc1cc(C#N)cnc1Cl ZINC000876990143 643095348 /nfs/dbraw/zinc/09/53/48/643095348.db2.gz RQJRMQZLTGUTRP-UHFFFAOYSA-N 0 3 267.760 2.513 20 30 CFEDHN C=C(Br)CN[C@H](C)Cc1ccnc(OC)c1 ZINC000877019733 643099209 /nfs/dbraw/zinc/09/92/09/643099209.db2.gz DFEOZNYQNUSUAA-SNVBAGLBSA-N 0 3 285.185 2.519 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)CCc1ccccc1 ZINC000877003732 643100650 /nfs/dbraw/zinc/10/06/50/643100650.db2.gz AHNMJPXUTYICHR-CABCVRRESA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000877010503 643103690 /nfs/dbraw/zinc/10/36/90/643103690.db2.gz AUYVRWVNARPQFQ-GXTWGEPZSA-N 0 3 293.798 2.509 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC2(CO)CCCCC2)c1 ZINC000877082631 643141415 /nfs/dbraw/zinc/14/14/15/643141415.db2.gz ZRCHLPLGOYBLPH-UHFFFAOYSA-N 0 3 293.798 2.639 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@H](N)CC(=C)Cl ZINC000877147622 643177132 /nfs/dbraw/zinc/17/71/32/643177132.db2.gz IHBUVHYYZMLIBS-LLVKDONJSA-N 0 3 258.793 2.565 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCC2(CC2)CC1 ZINC000877202317 643201712 /nfs/dbraw/zinc/20/17/12/643201712.db2.gz KXMYVLKPKDPDTG-LBPRGKRZSA-N 0 3 270.804 2.543 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)cn1)Oc1ccccc1 ZINC000877459133 643280863 /nfs/dbraw/zinc/28/08/63/643280863.db2.gz GLBJYFUKCNDLHD-UHFFFAOYSA-N 0 3 281.359 2.900 20 30 CFEDHN C#CCCCCCCNCc1ccc(C(=O)OC)o1 ZINC000877526525 643330143 /nfs/dbraw/zinc/33/01/43/643330143.db2.gz JYQCHPYVXZUGOV-UHFFFAOYSA-N 0 3 263.337 2.740 20 30 CFEDHN C[C@H](CCC#N)CNCc1cc(F)cnc1Cl ZINC000877555761 643357220 /nfs/dbraw/zinc/35/72/20/643357220.db2.gz AUYUTENTQFHALK-SECBINFHSA-N 0 3 255.724 2.904 20 30 CFEDHN COCC1CCC(NCc2cc(C#N)cnc2Cl)CC1 ZINC000877589945 643384151 /nfs/dbraw/zinc/38/41/51/643384151.db2.gz ULAOMTDOGISJJC-UHFFFAOYSA-N 0 3 293.798 2.901 20 30 CFEDHN CC(C)(C)[C@H]1C[C@@H](NCC2(C#N)CCC2)CCO1 ZINC000877595074 643387969 /nfs/dbraw/zinc/38/79/69/643387969.db2.gz QOWHDUJAITVFOS-QWHCGFSZSA-N 0 3 250.386 2.864 20 30 CFEDHN C#C[C@H](NCc1ccc(C)cc1F)C1CCOCC1 ZINC000877637680 643422561 /nfs/dbraw/zinc/42/25/61/643422561.db2.gz KRIDRAMZWZGXGC-INIZCTEOSA-N 0 3 261.340 2.652 20 30 CFEDHN C#C[C@@H](NCc1ccc(C(F)F)nc1)C1CCOCC1 ZINC000877637731 643422688 /nfs/dbraw/zinc/42/26/88/643422688.db2.gz LIGOTBSJILHFTM-CYBMUJFWSA-N 0 3 280.318 2.537 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CC2(F)F)c1 ZINC000877648094 643429378 /nfs/dbraw/zinc/42/93/78/643429378.db2.gz VOMRCLDQHMOFME-SNVBAGLBSA-N 0 3 271.698 2.742 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1ccccn1 ZINC000877704377 643470962 /nfs/dbraw/zinc/47/09/62/643470962.db2.gz NQKPGUCWTRUSOK-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN COc1ccc(CN2CCC[C@H](C(C)(C)O)C2)cc1C#N ZINC000877796268 643563268 /nfs/dbraw/zinc/56/32/68/643563268.db2.gz BQDBMFJQSONLGK-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN N#Cc1cccnc1N1CCN(CC2CC3(CCC3)C2)CC1 ZINC000877909945 643635978 /nfs/dbraw/zinc/63/59/78/643635978.db2.gz MVHDVUHBVDRVIN-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN C#CCCCCCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000878101886 643735437 /nfs/dbraw/zinc/73/54/37/643735437.db2.gz MDBKMSJANFDETM-MRXNPFEDSA-N 0 3 288.391 2.554 20 30 CFEDHN C#CC1(NC(=O)Nc2cccc(CN(C)C)c2)CCCC1 ZINC000878182806 643781431 /nfs/dbraw/zinc/78/14/31/643781431.db2.gz UIAPUJGZLDDMCZ-UHFFFAOYSA-N 0 3 285.391 2.816 20 30 CFEDHN C#CCCCCCN(CC(N)=O)[C@H](C)c1ccccc1 ZINC000878269366 643816383 /nfs/dbraw/zinc/81/63/83/643816383.db2.gz LRJAZCDKEBSTCE-OAHLLOKOSA-N 0 3 272.392 2.729 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127046746 643851249 /nfs/dbraw/zinc/85/12/49/643851249.db2.gz QNJBFBQSQDLVPJ-GOSISDBHSA-N 0 3 291.354 2.595 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC[C@@H]2CCCC2(F)F)C1=O ZINC000878550065 643938004 /nfs/dbraw/zinc/93/80/04/643938004.db2.gz OTKGKXQVDGPKSI-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878886354 644061188 /nfs/dbraw/zinc/06/11/88/644061188.db2.gz GZLJQJITMCHZSQ-JKSUJKDBSA-N 0 3 292.423 2.588 20 30 CFEDHN CC(=O)[C@](C#N)(CCN1CC[C@H]2C[C@H]2C1)c1ccccc1 ZINC000878987838 644098497 /nfs/dbraw/zinc/09/84/97/644098497.db2.gz LEZSLLTXDVOMNP-XYJFISCASA-N 0 3 282.387 2.769 20 30 CFEDHN C[C@H](CN(C)CC1(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000879062580 644129369 /nfs/dbraw/zinc/12/93/69/644129369.db2.gz DIMNWAWMDOUQOM-GFCCVEGCSA-N 0 3 281.400 2.525 20 30 CFEDHN C[C@@H](CN(C)CC1(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000879062581 644129763 /nfs/dbraw/zinc/12/97/63/644129763.db2.gz DIMNWAWMDOUQOM-LBPRGKRZSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CC(C)(C)CC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000879070483 644132821 /nfs/dbraw/zinc/13/28/21/644132821.db2.gz QEZOBXSKRAGORU-UHFFFAOYSA-N 0 3 296.455 2.594 20 30 CFEDHN COc1ccc([C@H]2CN(CCC(C)(C)C#N)CCN2)cc1 ZINC000879519931 644300525 /nfs/dbraw/zinc/30/05/25/644300525.db2.gz BKSJGCGHRDNVJA-MRXNPFEDSA-N 0 3 287.407 2.581 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](O)CC(C)(C)C1 ZINC000879623142 644351241 /nfs/dbraw/zinc/35/12/41/644351241.db2.gz SGKFSYVNIRFZGY-WFASDCNBSA-N 0 3 258.365 2.712 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649673 644363377 /nfs/dbraw/zinc/36/33/77/644363377.db2.gz SIYSAZODZFLCNE-KGLIPLIRSA-N 0 3 288.391 2.632 20 30 CFEDHN C#CCN1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879652788 644366363 /nfs/dbraw/zinc/36/63/63/644366363.db2.gz IHUPWJOWUADPML-KRWDZBQOSA-N 0 3 294.439 2.883 20 30 CFEDHN CC(C)(C#N)CCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690745 644382994 /nfs/dbraw/zinc/38/29/94/644382994.db2.gz GHEKHJVNHNCCEQ-HNNXBMFYSA-N 0 3 284.407 2.806 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2Cc3cccnc3N3CCC[C@H]3C2)C1 ZINC000879692401 644384512 /nfs/dbraw/zinc/38/45/12/644384512.db2.gz ULJOKCVTTLODGH-KBMXLJTQSA-N 0 3 282.391 2.558 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C(C)(C)O)C1 ZINC000879964474 644478171 /nfs/dbraw/zinc/47/81/71/644478171.db2.gz YSGQJHQNPUYOHD-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](C#N)OCCN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098777 644531978 /nfs/dbraw/zinc/53/19/78/644531978.db2.gz SONXNPSOIUTNBB-NXEZZACHSA-N 0 3 287.285 2.680 20 30 CFEDHN C=CC(C)(C)CC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000880151558 644557245 /nfs/dbraw/zinc/55/72/45/644557245.db2.gz HRWZUFSSDFUVFU-ZDUSSCGKSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@@H](c3nccs3)C2)cc1 ZINC000880316061 644649459 /nfs/dbraw/zinc/64/94/59/644649459.db2.gz YPUDANQKIPOMPT-CQSZACIVSA-N 0 3 299.399 2.883 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000880478534 644729109 /nfs/dbraw/zinc/72/91/09/644729109.db2.gz BAIXXIKDLIFMNA-UHFFFAOYSA-N 0 3 287.403 2.824 20 30 CFEDHN C#CCC1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000880479194 644729488 /nfs/dbraw/zinc/72/94/88/644729488.db2.gz LUQSBRJNOKIIMF-UHFFFAOYSA-N 0 3 277.795 2.733 20 30 CFEDHN N#Cc1cnccc1CN1CCCC[C@H](C2CCOCC2)C1 ZINC000880577584 644775558 /nfs/dbraw/zinc/77/55/58/644775558.db2.gz MQJRNAZFEOYCOO-INIZCTEOSA-N 0 3 299.418 2.982 20 30 CFEDHN C#CCN(C[C@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000249717414 650966541 /nfs/dbraw/zinc/96/65/41/650966541.db2.gz JOTFNZQBLYLBQH-WBVHZDCISA-N 0 3 255.361 2.788 20 30 CFEDHN CC[C@@H](C)N[C@H](CNc1cc(C#N)nc(C)n1)c1ccco1 ZINC000882350343 645289596 /nfs/dbraw/zinc/28/95/96/645289596.db2.gz KMCOBMAJNITVGM-BXUZGUMPSA-N 0 3 299.378 2.791 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc(OC(C)(C)C)c1 ZINC000883156433 645630493 /nfs/dbraw/zinc/63/04/93/645630493.db2.gz OFDSZUWGISKROB-OAHLLOKOSA-N 0 3 275.392 2.728 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCCC23OCCO3)c1 ZINC000883180109 645643670 /nfs/dbraw/zinc/64/36/70/645643670.db2.gz STWBVZIUDYXTAV-INIZCTEOSA-N 0 3 289.375 2.637 20 30 CFEDHN C=CCC[C@H](NCc1nccn1C)[C@H]1Cc2ccccc2O1 ZINC000883184998 645646651 /nfs/dbraw/zinc/64/66/51/645646651.db2.gz LGGUJOIERIJIQW-DOTOQJQBSA-N 0 3 297.402 2.848 20 30 CFEDHN C=CCC[C@@H](NCc1cc(C)no1)[C@H]1CCCO1 ZINC000883186171 645648055 /nfs/dbraw/zinc/64/80/55/645648055.db2.gz MXGYILAOZRWHGK-ZIAGYGMSSA-N 0 3 250.342 2.586 20 30 CFEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnnn1C1CC1 ZINC000883204591 645662956 /nfs/dbraw/zinc/66/29/56/645662956.db2.gz DRZJFJAJNIVAKG-HNNXBMFYSA-N 0 3 297.406 2.675 20 30 CFEDHN C=CCC[C@@H](NCc1cccc(F)n1)[C@@H]1CCCO1 ZINC000883207944 645664577 /nfs/dbraw/zinc/66/45/77/645664577.db2.gz WBDPGQLKBCFSIJ-KGLIPLIRSA-N 0 3 264.344 2.824 20 30 CFEDHN C=CCC[C@@H](NCc1cnccc1OC)[C@H]1CCCO1 ZINC000883224597 645675198 /nfs/dbraw/zinc/67/51/98/645675198.db2.gz OUPOCTLDRYRIGV-GDBMZVCRSA-N 0 3 276.380 2.694 20 30 CFEDHN C=CCC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000883226685 645677546 /nfs/dbraw/zinc/67/75/46/645677546.db2.gz CXBXMASXHQFODM-BYNSBNAKSA-N 0 3 275.396 2.992 20 30 CFEDHN C=CCC[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1ccco1 ZINC000883308908 645731256 /nfs/dbraw/zinc/73/12/56/645731256.db2.gz ZTTXEHKFRLDEPC-UONOGXRCSA-N 0 3 297.420 2.844 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)o2)OCCc2ccccc21 ZINC000883340630 645750392 /nfs/dbraw/zinc/75/03/92/645750392.db2.gz VLTNGRPGSLQCNS-KRWDZBQOSA-N 0 3 282.343 2.729 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC)c(F)c1 ZINC000305043372 651041705 /nfs/dbraw/zinc/04/17/05/651041705.db2.gz AEPXHRAWSBXOCD-ZDUSSCGKSA-N 0 3 267.344 2.593 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cccnc1Cl ZINC000883390382 645789484 /nfs/dbraw/zinc/78/94/84/645789484.db2.gz LAFREIFNEOREFA-MNOVXSKESA-N 0 3 254.761 2.713 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000883401815 645798556 /nfs/dbraw/zinc/79/85/56/645798556.db2.gz ZFRZTUABXUMTSM-NSHDSACASA-N 0 3 268.426 2.857 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C3CC3)cn2)CC1 ZINC001006355431 646000852 /nfs/dbraw/zinc/00/08/52/646000852.db2.gz HUEQYVZRARKNPF-UHFFFAOYSA-N 0 3 299.418 2.681 20 30 CFEDHN CCCCCC[C@@H](C)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884048011 646150737 /nfs/dbraw/zinc/15/07/37/646150737.db2.gz UTPNCAOBQNDYTG-HCEZTOJASA-N 0 3 291.439 2.601 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000884284872 646291195 /nfs/dbraw/zinc/29/11/95/646291195.db2.gz UTIYCXLJZVGMTM-OAHLLOKOSA-N 0 3 272.392 2.592 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CC[C@@H]2c2ccccc2)CCC1 ZINC000886032805 646831851 /nfs/dbraw/zinc/83/18/51/646831851.db2.gz OOSPUAGHHCKAOM-HZPDHXFCSA-N 0 3 270.376 2.878 20 30 CFEDHN C#CC[C@H](NCc1n[nH]c(C)c1C)c1ccccc1 ZINC000886049922 646842820 /nfs/dbraw/zinc/84/28/20/646842820.db2.gz YFMMKPFOBVWGBT-HNNXBMFYSA-N 0 3 253.349 2.881 20 30 CFEDHN C[C@H](c1ccccn1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000886092290 646864021 /nfs/dbraw/zinc/86/40/21/646864021.db2.gz SVOHGYJKOBVTAM-ZIAGYGMSSA-N 0 3 273.380 2.519 20 30 CFEDHN C=C[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000136662160 646867754 /nfs/dbraw/zinc/86/77/54/646867754.db2.gz YMQPWCLAFNKWDW-HIFRSBDPSA-N 0 3 284.359 2.580 20 30 CFEDHN Cc1[nH]nc(CNCc2ccc(C#N)c(Cl)c2)c1C ZINC000886107504 646875701 /nfs/dbraw/zinc/87/57/01/646875701.db2.gz SSEUBDCLZDCYTM-UHFFFAOYSA-N 0 3 274.755 2.841 20 30 CFEDHN C=CCN1CCN(CC=C)[C@H](Cc2ccccc2)C1 ZINC000886381439 646993420 /nfs/dbraw/zinc/99/34/20/646993420.db2.gz CKLUGHIKCLKMOF-QGZVFWFLSA-N 0 3 256.393 2.587 20 30 CFEDHN Cc1ccccc1[C@H](CO)N(C)CCC(C)(C)C#N ZINC000886439349 647002950 /nfs/dbraw/zinc/00/29/50/647002950.db2.gz VRBGXYHAXAPBNX-HNNXBMFYSA-N 0 3 260.381 2.900 20 30 CFEDHN COC(=O)[C@@H]1CC[C@@H](N[C@H](CCC#N)c2ccccc2)C1 ZINC000886553677 647045031 /nfs/dbraw/zinc/04/50/31/647045031.db2.gz SWQCGCSZNAJDOJ-BZUAXINKSA-N 0 3 286.375 2.963 20 30 CFEDHN COC(=O)[C@@H]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000886553680 647045066 /nfs/dbraw/zinc/04/50/66/647045066.db2.gz SWQCGCSZNAJDOJ-PMPSAXMXSA-N 0 3 286.375 2.963 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)C1CCN(C)CC1 ZINC000886576153 647052416 /nfs/dbraw/zinc/05/24/16/647052416.db2.gz YOHWQXOFBORHSG-BZUAXINKSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN(C(=O)C[C@@H](CC)C(C)C)C1CCN(C)CC1 ZINC000886582237 647053728 /nfs/dbraw/zinc/05/37/28/647053728.db2.gz KZHJQVOMFJCTPE-OAHLLOKOSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C(=O)C[C@H](C)CC(C)C)C1CCN(C)CC1 ZINC000886582082 647053966 /nfs/dbraw/zinc/05/39/66/647053966.db2.gz FXUZEWVWHZCAQE-OAHLLOKOSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C(=O)CCCc1ccccc1)C1CCN(C)CC1 ZINC000886583652 647054681 /nfs/dbraw/zinc/05/46/81/647054681.db2.gz ZHNXQCBWGHZSEH-UHFFFAOYSA-N 0 3 298.430 2.565 20 30 CFEDHN C#CCN(C(=O)CCCCCC)C1CCN(C)CC1 ZINC000886585105 647055838 /nfs/dbraw/zinc/05/58/38/647055838.db2.gz IEXISQIXHZLNMK-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN C#CCC1(NC(=O)[C@H]2CCCN2C(C)C)CCCCC1 ZINC000886658762 647093321 /nfs/dbraw/zinc/09/33/21/647093321.db2.gz OPJNYAHBRHATKL-OAHLLOKOSA-N 0 3 276.424 2.702 20 30 CFEDHN C#CCC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCCC1 ZINC000886658761 647093452 /nfs/dbraw/zinc/09/34/52/647093452.db2.gz OPJNYAHBRHATKL-HNNXBMFYSA-N 0 3 276.424 2.702 20 30 CFEDHN C#CCN1CCC[C@H]([NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000886663038 647096979 /nfs/dbraw/zinc/09/69/79/647096979.db2.gz RTXAAVFTEWEFLU-GOEBONIOSA-N 0 3 272.392 2.531 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H](c2ncccn2)C1 ZINC000886686428 647110852 /nfs/dbraw/zinc/11/08/52/647110852.db2.gz PQOGZFRRRLJNPB-ZDUSSCGKSA-N 0 3 258.369 2.596 20 30 CFEDHN CC[C@@H](NCC(=O)NCC#N)c1cccc2ccccc21 ZINC000886918262 647174640 /nfs/dbraw/zinc/17/46/40/647174640.db2.gz WFIUYOMHXUPCSY-MRXNPFEDSA-N 0 3 281.359 2.520 20 30 CFEDHN C=C1CCC(C(=O)N2CCNC3(CCCCC3)C2)CC1 ZINC000886922147 647176637 /nfs/dbraw/zinc/17/66/37/647176637.db2.gz USQUHMJBLVUCGQ-UHFFFAOYSA-N 0 3 276.424 2.868 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1nonc1C)C(C)C ZINC000924644000 648017522 /nfs/dbraw/zinc/01/75/22/648017522.db2.gz SBHDRLIKMTYGRJ-HIFRSBDPSA-N 0 3 292.427 2.727 20 30 CFEDHN COc1cccc([C@@H](CO)N[C@H](C)CC(C)(C)C#N)c1 ZINC000925143832 648115887 /nfs/dbraw/zinc/11/58/87/648115887.db2.gz PSHKLUVLHGHUJK-IUODEOHRSA-N 0 3 276.380 2.647 20 30 CFEDHN C=CCC[C@@H](CC)N1CCc2sc(CN)nc2C1 ZINC000925751649 648307577 /nfs/dbraw/zinc/30/75/77/648307577.db2.gz QLGPJYHOPNLUIR-LLVKDONJSA-N 0 3 265.426 2.705 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926523863 648518616 /nfs/dbraw/zinc/51/86/16/648518616.db2.gz JCJGIMJXQJSLFX-FZZIBODNSA-N 0 3 251.301 2.525 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(O)cc(F)c1 ZINC000926523863 648518617 /nfs/dbraw/zinc/51/86/17/648518617.db2.gz JCJGIMJXQJSLFX-FZZIBODNSA-N 0 3 251.301 2.525 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccc(Br)n1 ZINC000926544761 648526694 /nfs/dbraw/zinc/52/66/94/648526694.db2.gz FNKFZPGVIYDEKS-WDEREUQCSA-N 0 3 299.212 2.822 20 30 CFEDHN C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926546677 648527590 /nfs/dbraw/zinc/52/75/90/648527590.db2.gz WUIVLXTXRPWAKT-MFKMUULPSA-N 0 3 253.317 2.509 20 30 CFEDHN C=C1CCC(CNC(=O)N(CCC)[C@@H]2CCN(C)C2)CC1 ZINC000926547758 648528556 /nfs/dbraw/zinc/52/85/56/648528556.db2.gz PAOQQCLIVXPPHO-MRXNPFEDSA-N 0 3 293.455 2.859 20 30 CFEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(OC)n1 ZINC000926615251 648551892 /nfs/dbraw/zinc/55/18/92/648551892.db2.gz NQFFVROGKBBBPX-XQQFMLRXSA-N 0 3 259.353 2.823 20 30 CFEDHN N#CC1(CNC2CCN(OCc3ccccc3)CC2)CCC1 ZINC000926627000 648553562 /nfs/dbraw/zinc/55/35/62/648553562.db2.gz MVLBJEUYWCVGAP-UHFFFAOYSA-N 0 3 299.418 2.866 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H]1CCc2c1nccc2Cl ZINC000926864777 648638367 /nfs/dbraw/zinc/63/83/67/648638367.db2.gz ONNLMZGWBJODNM-GWCFXTLKSA-N 0 3 266.772 2.639 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H]1CCc2c1nccc2Cl ZINC000926864780 648638435 /nfs/dbraw/zinc/63/84/35/648638435.db2.gz ONNLMZGWBJODNM-ZWNOBZJWSA-N 0 3 266.772 2.639 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cc(C(F)(F)F)nn1C ZINC000926926035 648660764 /nfs/dbraw/zinc/66/07/64/648660764.db2.gz IDGYPBYMJBUKLC-VIFPVBQESA-N 0 3 288.317 2.857 20 30 CFEDHN CCC[C@H](O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000927019010 648685179 /nfs/dbraw/zinc/68/51/79/648685179.db2.gz QDBPRKMNRMKNCX-AAEUAGOBSA-N 0 3 264.344 2.899 20 30 CFEDHN C=CCC[C@H](NCc1cc(C2CC2)n(C)n1)[C@H]1CCCO1 ZINC000927109546 648714907 /nfs/dbraw/zinc/71/49/07/648714907.db2.gz PXORMDZSYWSCMQ-DOTOQJQBSA-N 0 3 289.423 2.901 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1nc2c(s1)COCC2 ZINC000927118729 648719614 /nfs/dbraw/zinc/71/96/14/648719614.db2.gz UZSHMSXUUZBLBL-GHMZBOCLSA-N 0 3 266.410 2.906 20 30 CFEDHN Cc1ccc([C@H](C)NCCNc2ccc(C#N)cn2)o1 ZINC000927169614 648735274 /nfs/dbraw/zinc/73/52/74/648735274.db2.gz QREFKONFMJJIGX-LBPRGKRZSA-N 0 3 270.336 2.617 20 30 CFEDHN N#CC1CCC(CN2CCN(Cc3ccco3)CC2)CC1 ZINC000929191854 648998811 /nfs/dbraw/zinc/99/88/11/648998811.db2.gz QCUGFHFUEQNEKT-UHFFFAOYSA-N 0 3 287.407 2.727 20 30 CFEDHN C#CCN(CCc1nnc(C)o1)[C@H]1CCc2ccccc21 ZINC000929334497 649032689 /nfs/dbraw/zinc/03/26/89/649032689.db2.gz PAICYTWTUQLYTC-INIZCTEOSA-N 0 3 281.359 2.543 20 30 CFEDHN C#CCN(CCOCCOCC)[C@H]1CCc2ccccc21 ZINC000929335260 649034122 /nfs/dbraw/zinc/03/41/22/649034122.db2.gz VBBGFSZTGNAHBF-SFHVURJKSA-N 0 3 287.403 2.662 20 30 CFEDHN C#CCN(Cc1cnn(CCF)c1)C1CCCCC1 ZINC000929362407 649039007 /nfs/dbraw/zinc/03/90/07/649039007.db2.gz QCXAIMLANJBPEJ-UHFFFAOYSA-N 0 3 263.360 2.621 20 30 CFEDHN N#CC1CCN(C2CC(OCc3ccccc3)C2)CC1 ZINC000929416054 649046942 /nfs/dbraw/zinc/04/69/42/649046942.db2.gz CZYGKDUCNQHLAV-UHFFFAOYSA-N 0 3 270.376 2.970 20 30 CFEDHN COc1ccc([C@H]2CCN(Cc3cncc(C#N)c3)C2)cc1 ZINC000929431134 649048343 /nfs/dbraw/zinc/04/83/43/649048343.db2.gz SCKRSGPVWJOHEP-KRWDZBQOSA-N 0 3 293.370 2.951 20 30 CFEDHN N#CC[C@@H](O)CNC1(c2cccc(Cl)c2)CCCC1 ZINC000930232011 649210630 /nfs/dbraw/zinc/21/06/30/649210630.db2.gz VJFXZNULQCEYBZ-CQSZACIVSA-N 0 3 278.783 2.973 20 30 CFEDHN Cc1cccc([C@H](NC[C@H](O)CC#N)C(C)(C)C)c1 ZINC000930230174 649210684 /nfs/dbraw/zinc/21/06/84/649210684.db2.gz RFBCBKYNGYCMBF-CABCVRRESA-N 0 3 260.381 2.946 20 30 CFEDHN N#CC[C@@H](O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000930612110 649287158 /nfs/dbraw/zinc/28/71/58/649287158.db2.gz PRGMGMDYKOPWQG-RISCZKNCSA-N 0 3 282.746 2.794 20 30 CFEDHN N#CC[C@@H](O)CNC1(c2cccc(Cl)c2)CCC1 ZINC000930823755 649331503 /nfs/dbraw/zinc/33/15/03/649331503.db2.gz URMIEWOFKZSVTH-CYBMUJFWSA-N 0 3 264.756 2.583 20 30 CFEDHN N#Cc1ccc(C2CCN(CCc3ccns3)CC2)nc1 ZINC000931112663 649381602 /nfs/dbraw/zinc/38/16/02/649381602.db2.gz IAGATFCEUBLJFS-UHFFFAOYSA-N 0 3 298.415 2.832 20 30 CFEDHN CCCCCCCCN1CCc2c(=O)[nH]n(C)c2C1 ZINC000931197364 649393160 /nfs/dbraw/zinc/39/31/60/649393160.db2.gz VIQNHDGVWXQGNQ-UHFFFAOYSA-N 0 3 265.401 2.844 20 30 CFEDHN CC1(C)[C@H](c2cccc(F)c2)CCN1C[C@H](O)CC#N ZINC000931258838 649398004 /nfs/dbraw/zinc/39/80/04/649398004.db2.gz YIIDFAQXKPNGKI-CABCVRRESA-N 0 3 276.355 2.668 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCN(CCCF)CC1 ZINC000931292503 649402178 /nfs/dbraw/zinc/40/21/78/649402178.db2.gz BWYPCICDNNXOJM-UHFFFAOYSA-N 0 3 289.398 2.652 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1CCCn2nccc21 ZINC000931570834 649456675 /nfs/dbraw/zinc/45/66/75/649456675.db2.gz NEWMYAAJMIAENE-MRXNPFEDSA-N 0 3 280.375 2.996 20 30 CFEDHN CN(CCN1CCCCC1)C(=O)Nc1sccc1C#N ZINC000931833234 649497142 /nfs/dbraw/zinc/49/71/42/649497142.db2.gz AHCAEOSYMYYQHR-UHFFFAOYSA-N 0 3 292.408 2.569 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214301 649565391 /nfs/dbraw/zinc/56/53/91/649565391.db2.gz BIBXOSJIJZIQKD-HUUCEWRRSA-N 0 3 273.376 2.960 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CSC)CC1 ZINC000932595825 649626078 /nfs/dbraw/zinc/62/60/78/649626078.db2.gz ZRMYMFHOAQYARJ-CQSZACIVSA-N 0 3 296.480 2.651 20 30 CFEDHN Cc1ccc(CN2CCC(O)(C3CCC3)CC2)cc1C#N ZINC000932814654 649645396 /nfs/dbraw/zinc/64/53/96/649645396.db2.gz WIHOKCCRIZETLK-UHFFFAOYSA-N 0 3 284.403 2.994 20 30 CFEDHN CC(C)(C#N)CCN1CCC(CO)(C(F)(F)F)CC1 ZINC000932828437 649646856 /nfs/dbraw/zinc/64/68/56/649646856.db2.gz RZDJTAGCZJLVKK-UHFFFAOYSA-N 0 3 278.318 2.563 20 30 CFEDHN C[C@@H](C#N)OCCN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933273111 649684745 /nfs/dbraw/zinc/68/47/45/649684745.db2.gz PQKBGXQNPURBFZ-QWRGUYRKSA-N 0 3 294.782 2.854 20 30 CFEDHN COCCCCCN(C)Cc1cc(C#N)cs1 ZINC000933779202 649721323 /nfs/dbraw/zinc/72/13/23/649721323.db2.gz ZAQZBURBJCBWJE-UHFFFAOYSA-N 0 3 252.383 2.868 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCOC23CCCCC3)o1 ZINC000933876503 649727605 /nfs/dbraw/zinc/72/76/05/649727605.db2.gz MHBBABBTEREGOS-AWEZNQCLSA-N 0 3 260.337 2.733 20 30 CFEDHN C#Cc1ccc(NC(=O)CCN[C@H](C)c2cncs2)cc1 ZINC000934195102 649758406 /nfs/dbraw/zinc/75/84/06/649758406.db2.gz FHHJPHAWDAKUAC-GFCCVEGCSA-N 0 3 299.399 2.804 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCN1c1ccccc1 ZINC000934323454 649774033 /nfs/dbraw/zinc/77/40/33/649774033.db2.gz YWETYQNCZMXDEV-INMHGKMJSA-N 0 3 269.392 2.889 20 30 CFEDHN C#CCCCCCN1CCOC[C@@H]1CC1CCOCC1 ZINC000934635733 649809280 /nfs/dbraw/zinc/80/92/80/649809280.db2.gz XDVMAARSNPOXOQ-KRWDZBQOSA-N 0 3 279.424 2.698 20 30 CFEDHN C=CCCCN(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000934650991 649812515 /nfs/dbraw/zinc/81/25/15/649812515.db2.gz OTPBBTQFJPOQLD-UHFFFAOYSA-N 0 3 277.412 2.617 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2CCCC#N ZINC000934663392 649813330 /nfs/dbraw/zinc/81/33/30/649813330.db2.gz ZUGHKHMMKGZEMP-BBRMVZONSA-N 0 3 293.411 2.669 20 30 CFEDHN C=CCN[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000305787727 651078496 /nfs/dbraw/zinc/07/84/96/651078496.db2.gz YTIOAHODFIBJBM-LBPRGKRZSA-N 0 3 278.371 2.623 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001007298000 651091377 /nfs/dbraw/zinc/09/13/77/651091377.db2.gz MVPMXXLZNYCBKI-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001008086346 651142070 /nfs/dbraw/zinc/14/20/70/651142070.db2.gz ZOAVLKYBHQGRQU-MRXNPFEDSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001008417353 651147874 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C#CCN(CC)[C@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001155418385 782287496 /nfs/dbraw/zinc/28/74/96/782287496.db2.gz FRZYYKHUKMHIJT-HUUCEWRRSA-N 0 3 280.456 2.909 20 30 CFEDHN C=CCCCN1CC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001266301795 769937023 /nfs/dbraw/zinc/93/70/23/769937023.db2.gz CKGCZFZYKRCNOX-NSHDSACASA-N 0 3 282.771 2.703 20 30 CFEDHN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039335685 770504156 /nfs/dbraw/zinc/50/41/56/770504156.db2.gz JKZLQPYCPYAOFD-ZNMIVQPWSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)c2ccco2)C1 ZINC001266245908 769824589 /nfs/dbraw/zinc/82/45/89/769824589.db2.gz IDKAYZFQYWOJFT-GJZGRUSLSA-N 0 3 290.407 2.930 20 30 CFEDHN CN1CC=C(Nc2cc(Br)cc(C#N)c2)CC1 ZINC001208844136 769946129 /nfs/dbraw/zinc/94/61/29/769946129.db2.gz MGFOWBOCOCCPDA-UHFFFAOYSA-N 0 3 292.180 2.952 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@H](CCC)c1ccccn1 ZINC001266313525 769950687 /nfs/dbraw/zinc/95/06/87/769950687.db2.gz LMUVSSZGTOHOBH-OAHLLOKOSA-N 0 3 289.423 2.589 20 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C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)CC ZINC001266483744 770200401 /nfs/dbraw/zinc/20/04/01/770200401.db2.gz CONYBGJXHMJBPY-YXEVMUQDSA-N 0 3 276.424 2.984 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001266537386 770295049 /nfs/dbraw/zinc/29/50/49/770295049.db2.gz KRCNXNSOLOWHIR-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266570118 770354336 /nfs/dbraw/zinc/35/43/36/770354336.db2.gz ZVBYMOTZCXKQSK-HOTGVXAUSA-N 0 3 278.440 2.663 20 30 CFEDHN CC(C(=O)NCCNCc1ccc(C#N)cc1)=C1CCCC1 ZINC001125524296 770605322 /nfs/dbraw/zinc/60/53/22/770605322.db2.gz YXRWOIQWTKBXTJ-UHFFFAOYSA-N 0 3 297.402 2.655 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001266856214 770680550 /nfs/dbraw/zinc/68/05/50/770680550.db2.gz LUFQBOMHWWIEBA-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001266891992 770718052 /nfs/dbraw/zinc/71/80/52/770718052.db2.gz SFUBGCMQGPOAAW-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C1CCC(C(=O)NC[C@H](C)NC[C@H](F)CC)CC1 ZINC001266968737 770777902 /nfs/dbraw/zinc/77/79/02/770777902.db2.gz UXTDZWYDRGHCQS-GXTWGEPZSA-N 0 3 270.392 2.575 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001022549431 770817916 /nfs/dbraw/zinc/81/79/16/770817916.db2.gz OPGCPMKOVHAMGN-MCIONIFRSA-N 0 3 282.815 2.722 20 30 CFEDHN CC(C)=CC(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001267118332 770919092 /nfs/dbraw/zinc/91/90/92/770919092.db2.gz IAJKXZGVPGTIOK-AWEZNQCLSA-N 0 3 285.391 2.509 20 30 CFEDHN Cc1nc[nH]c1CN1CCC(c2cccc(C#N)c2)CC1 ZINC001204588386 770920029 /nfs/dbraw/zinc/92/00/29/770920029.db2.gz IXYCZROCGQXNLO-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN C=C(Cl)CN[C@H](C)CCNC(=O)/C=C(/C)CC ZINC001267127962 770927549 /nfs/dbraw/zinc/92/75/49/770927549.db2.gz YTQKYYZPHDQSOU-VPUINMBXSA-N 0 3 258.793 2.580 20 30 CFEDHN CC#CCN1CC[C@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 ZINC001042007904 770980834 /nfs/dbraw/zinc/98/08/34/770980834.db2.gz 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/nfs/dbraw/zinc/19/12/46/775191246.db2.gz JBENNSYRSDLURM-UHFFFAOYSA-N 0 3 298.430 2.640 20 30 CFEDHN C=C(C)CN(CCNC(=O)c1ccc(C2CC2)cn1)C1CC1 ZINC001267337292 775223528 /nfs/dbraw/zinc/22/35/28/775223528.db2.gz PBAVYDRVRCXXIM-UHFFFAOYSA-N 0 3 299.418 2.729 20 30 CFEDHN CC#CCN1CCC(CNC(=O)CCCC(C)C)CC1 ZINC001224643310 775236358 /nfs/dbraw/zinc/23/63/58/775236358.db2.gz FJOBCMKWYNZNMY-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001224824709 775283667 /nfs/dbraw/zinc/28/36/67/775283667.db2.gz BQIKORPQJQDFCJ-GJZGRUSLSA-N 0 3 292.467 2.766 20 30 CFEDHN N#Cc1cccc(CN2CC3(CCN3C3CCCC3)C2)c1F ZINC001277007121 775309903 /nfs/dbraw/zinc/30/99/03/775309903.db2.gz LBPYRWGWBQPHEW-UHFFFAOYSA-N 0 3 299.393 2.900 20 30 CFEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042173261 775366410 /nfs/dbraw/zinc/36/64/10/775366410.db2.gz NDCUTRTVGFNRCI-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1cncs1 ZINC001225308397 775403351 /nfs/dbraw/zinc/40/33/51/775403351.db2.gz ZTRIHKUNINPZCT-ZIAGYGMSSA-N 0 3 293.436 2.626 20 30 CFEDHN C=CCN[C@@H](CNC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC001267516147 775409537 /nfs/dbraw/zinc/40/95/37/775409537.db2.gz APORPHBSQSNVMC-CJNGLKHVSA-N 0 3 272.392 2.666 20 30 CFEDHN C=CCN[C@H](CNC(=O)c1oc(C)nc1C)c1ccccc1 ZINC001267517357 775409553 /nfs/dbraw/zinc/40/95/53/775409553.db2.gz OTWHGJNJRGHESW-OAHLLOKOSA-N 0 3 299.374 2.538 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2(CC)CCCCC2)CC1 ZINC001225543100 775497641 /nfs/dbraw/zinc/49/76/41/775497641.db2.gz RGIUTQWRCNGHMO-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001025191499 775565237 /nfs/dbraw/zinc/56/52/37/775565237.db2.gz JVHZESNRQBLRRC-IAGOWNOFSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001025197419 775566645 /nfs/dbraw/zinc/56/66/45/775566645.db2.gz IDEHREKAGURRCL-IRXDYDNUSA-N 0 3 290.451 2.901 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C 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C#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025362290 775622253 /nfs/dbraw/zinc/62/22/53/775622253.db2.gz UNFABGNEFCFPDC-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cscc2C)C1 ZINC001025380799 775629770 /nfs/dbraw/zinc/62/97/70/775629770.db2.gz JXSOFDHOPWCGAH-ZIAGYGMSSA-N 0 3 290.432 2.520 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC1 ZINC000122245633 775636278 /nfs/dbraw/zinc/63/62/78/775636278.db2.gz GUQLWKZTYUASDP-LLVKDONJSA-N 0 3 253.305 2.550 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CC)C1 ZINC001025517855 775688206 /nfs/dbraw/zinc/68/82/06/775688206.db2.gz BHAJDCDSHGJORE-RDJZCZTQSA-N 0 3 298.430 2.713 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001267619139 775699848 /nfs/dbraw/zinc/69/98/48/775699848.db2.gz ZTQRZMOLLLFUEZ-UONOGXRCSA-N 0 3 270.392 2.529 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603290 775705913 /nfs/dbraw/zinc/70/59/13/775705913.db2.gz TUAHVHQMNCCVPQ-VQHPVUNQSA-N 0 3 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/nfs/dbraw/zinc/58/37/85/776583785.db2.gz NAUFURWVERTCFP-HNNXBMFYSA-N 0 3 290.382 2.823 20 30 CFEDHN N#Cc1ccc2cc(NCCN3CCSCC3)ccc2n1 ZINC001167839352 776591029 /nfs/dbraw/zinc/59/10/29/776591029.db2.gz LPRYQASXLRKVCA-UHFFFAOYSA-N 0 3 298.415 2.567 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028097435 776618190 /nfs/dbraw/zinc/61/81/90/776618190.db2.gz UFOUAZBANITVPL-SNVBAGLBSA-N 0 3 299.827 2.567 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001028098774 776619236 /nfs/dbraw/zinc/61/92/36/776619236.db2.gz DUDMHFDAJGAZNA-AWEZNQCLSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001098155453 776631598 /nfs/dbraw/zinc/63/15/98/776631598.db2.gz MQEJQELCUAPTKB-FPCVCCKLSA-N 0 3 288.435 2.864 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001028110590 776633235 /nfs/dbraw/zinc/63/32/35/776633235.db2.gz DSDVDILWWNSCHJ-INIZCTEOSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)C2CC2)C1 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ZINC001161248006 776828245 /nfs/dbraw/zinc/82/82/45/776828245.db2.gz PMMXZBIEDIRXIE-UHFFFAOYSA-N 0 3 298.430 2.830 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001028293320 776838360 /nfs/dbraw/zinc/83/83/60/776838360.db2.gz HLAPTXPIUSKBIZ-INIZCTEOSA-N 0 3 299.418 2.729 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001028296779 776840558 /nfs/dbraw/zinc/84/05/58/776840558.db2.gz DVGSXGJTKPCEAK-ZDUSSCGKSA-N 0 3 294.345 2.735 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028296179 776841050 /nfs/dbraw/zinc/84/10/50/776841050.db2.gz PPKBJYONVZMHDI-MRXNPFEDSA-N 0 3 272.392 2.629 20 30 CFEDHN C#CCNCCN(CC)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001268458559 776843333 /nfs/dbraw/zinc/84/33/33/776843333.db2.gz OYOCUDCBKYSDSS-QZTJIDSGSA-N 0 3 298.430 2.642 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028302408 776847519 /nfs/dbraw/zinc/84/75/19/776847519.db2.gz BCXRKSBLMGDHDY-HNNXBMFYSA-N 0 3 296.370 2.650 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028334527 776859589 /nfs/dbraw/zinc/85/95/89/776859589.db2.gz CFGFABSJEMPZJI-FJBKBRRZSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001028342875 776862240 /nfs/dbraw/zinc/86/22/40/776862240.db2.gz MHPAEUTVCOTSFD-INIZCTEOSA-N 0 3 290.382 2.926 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028341705 776865594 /nfs/dbraw/zinc/86/55/94/776865594.db2.gz RTAZSRWBJNCYIT-MRXNPFEDSA-N 0 3 298.430 2.946 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229739456 776883614 /nfs/dbraw/zinc/88/36/14/776883614.db2.gz XCPOBTBWGUZFDI-YFKYKJIASA-N 0 3 288.391 2.994 20 30 CFEDHN C/C(=N\[O-])c1ccccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229739456 776883621 /nfs/dbraw/zinc/88/36/21/776883621.db2.gz XCPOBTBWGUZFDI-YFKYKJIASA-N 0 3 288.391 2.994 20 30 CFEDHN N#Cc1cc(F)c(F)cc1OC1CCN(C2CC2)CC1 ZINC001229838148 776900838 /nfs/dbraw/zinc/90/08/38/776900838.db2.gz GPDMGRJTXWJKIZ-UHFFFAOYSA-N 0 3 278.302 2.842 20 30 CFEDHN C#CCNC/C=C/CNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001268601631 776995886 /nfs/dbraw/zinc/99/58/86/776995886.db2.gz WKLBJQVCXAFDOA-BLGFXRMMSA-N 0 3 298.430 2.712 20 30 CFEDHN CCC[C@@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268639270 777005586 /nfs/dbraw/zinc/00/55/86/777005586.db2.gz FVMVKCLWOSSASH-HZPDHXFCSA-N 0 3 286.419 2.569 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001028618481 777009806 /nfs/dbraw/zinc/00/98/06/777009806.db2.gz VAZMDLDUIWQFPR-OAHLLOKOSA-N 0 3 298.430 2.669 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001230584835 777020672 /nfs/dbraw/zinc/02/06/72/777020672.db2.gz OBSBBDMWVJZBAJ-INIZCTEOSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)C[C@H]1CCCCO1 ZINC001268739944 777040559 /nfs/dbraw/zinc/04/05/59/777040559.db2.gz GSSFMBIFKCMDCF-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)CSC ZINC001230714985 777048976 /nfs/dbraw/zinc/04/89/76/777048976.db2.gz NPWAAKCEZWNQJJ-AWEZNQCLSA-N 0 3 284.469 2.629 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CC ZINC001230809696 777070197 /nfs/dbraw/zinc/07/01/97/777070197.db2.gz HEUBKXFPHGRICT-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230823977 777071415 /nfs/dbraw/zinc/07/14/15/777071415.db2.gz QPRNIRMMGAIAOT-AWEZNQCLSA-N 0 3 284.469 2.627 20 30 CFEDHN C#CCN1CCC[C@@]2(CCN(C(=O)CCC3(C)CC3)C2)C1 ZINC001277473847 777100398 /nfs/dbraw/zinc/10/03/98/777100398.db2.gz KLBKDIIDGUSZBT-GOSISDBHSA-N 0 3 288.435 2.514 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNC[C@@H](F)CC)C1CC1 ZINC001269098785 777101038 /nfs/dbraw/zinc/10/10/38/777101038.db2.gz ATQBVCFEORDNIF-KBPBESRZSA-N 0 3 284.419 2.821 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001269214978 777140455 /nfs/dbraw/zinc/14/04/55/777140455.db2.gz NABKLKNTJIFUBV-GOEBONIOSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C ZINC001231123418 777148877 /nfs/dbraw/zinc/14/88/77/777148877.db2.gz TVYZQJKQECIJKX-QGZVFWFLSA-N 0 3 286.419 2.994 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)OC ZINC001231139161 777153775 /nfs/dbraw/zinc/15/37/75/777153775.db2.gz LZEICTIXISJNAO-HOTGVXAUSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231177322 777165810 /nfs/dbraw/zinc/16/58/10/777165810.db2.gz DAEAHBCEAVTOCD-GJZGRUSLSA-N 0 3 266.429 2.777 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001269330969 777172789 /nfs/dbraw/zinc/17/27/89/777172789.db2.gz HIKHFHCADPSOEF-LLVKDONJSA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001269339797 777174110 /nfs/dbraw/zinc/17/41/10/777174110.db2.gz RQBPHAZZRKJNRH-QGZVFWFLSA-N 0 3 286.419 2.646 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001269350439 777176896 /nfs/dbraw/zinc/17/68/96/777176896.db2.gz ILGPOGJEBOGPBO-GOSISDBHSA-N 0 3 296.414 2.585 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231262955 777180336 /nfs/dbraw/zinc/18/03/36/777180336.db2.gz IMJRWZDVVVHJCU-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231262954 777180401 /nfs/dbraw/zinc/18/04/01/777180401.db2.gz IMJRWZDVVVHJCU-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2c[nH]c3cccnc23)CC1 ZINC001231491113 777238540 /nfs/dbraw/zinc/23/85/40/777238540.db2.gz FQFSAZBZWPMVPQ-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN CC1(C#N)CCN(Cc2c[nH]c3cnccc23)CC1 ZINC001231521362 777250491 /nfs/dbraw/zinc/25/04/91/777250491.db2.gz JJAWMHSTHFESDS-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN O[C@@H]1CCN(Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577228 777265131 /nfs/dbraw/zinc/26/51/31/777265131.db2.gz RATFONFGJJPNJU-LJQANCHMSA-N 0 3 277.367 2.653 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H]3OCC[C@H]32)c1 ZINC001231621620 777282456 /nfs/dbraw/zinc/28/24/56/777282456.db2.gz FPIXVAUTPLIBRI-HZPDHXFCSA-N 0 3 259.349 2.615 20 30 CFEDHN C=CCOc1cccc(CN2CCc3nccn3CC2)c1 ZINC001231624906 777284144 /nfs/dbraw/zinc/28/41/44/777284144.db2.gz HFCNBQQOXZUYPV-UHFFFAOYSA-N 0 3 283.375 2.506 20 30 CFEDHN C#Cc1cccc(CN2CC[C@]3(C2)CC(F)(F)CO3)c1 ZINC001231662016 777299511 /nfs/dbraw/zinc/29/95/11/777299511.db2.gz CKXGKICQOUCGQF-OAHLLOKOSA-N 0 3 277.314 2.668 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038412107 777300030 /nfs/dbraw/zinc/30/00/30/777300030.db2.gz RRGWSOWNJFMPLL-SJLPKXTDSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](CNCCF)C1CCCC1 ZINC001270442285 777384668 /nfs/dbraw/zinc/38/46/68/777384668.db2.gz KKYDTXGEMCKEGZ-CQSZACIVSA-N 0 3 284.419 2.823 20 30 CFEDHN Cc1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C)n1 ZINC001232001339 777407422 /nfs/dbraw/zinc/40/74/22/777407422.db2.gz QUQSOTMJSSPYRI-MKZZRHPPSA-N 0 3 255.365 2.965 20 30 CFEDHN CCN(CCn1ccnc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232118337 777445279 /nfs/dbraw/zinc/44/52/79/777445279.db2.gz LYBXIUDSPLLEDO-UHFFFAOYSA-N 0 3 288.782 2.930 20 30 CFEDHN CN(C)Cc1cc(F)cc(CN2CCCC[C@@H]2C#N)c1 ZINC001232146180 777450764 /nfs/dbraw/zinc/45/07/64/777450764.db2.gz KOZVFHFMBIEBRT-MRXNPFEDSA-N 0 3 275.371 2.765 20 30 CFEDHN CSc1ccc(CN2CCC3SC(=O)C=C3C2)cn1 ZINC001232325981 777521716 /nfs/dbraw/zinc/52/17/16/777521716.db2.gz CXQGSMCKKFORHD-GFCCVEGCSA-N 0 3 292.429 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1CC ZINC001087621071 777668122 /nfs/dbraw/zinc/66/81/22/777668122.db2.gz HDXGMZOTRXWDOQ-OWCLPIDISA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccn3ccccc23)[C@H]1CC ZINC001087652894 777673399 /nfs/dbraw/zinc/67/33/99/777673399.db2.gz RVAAKTCPEAKHHE-JKSUJKDBSA-N 0 3 297.402 2.708 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)[C@H]1CC ZINC001087803520 777701704 /nfs/dbraw/zinc/70/17/04/777701704.db2.gz AUPBYVAURYZVOH-BPQIPLTHSA-N 0 3 298.430 2.783 20 30 CFEDHN Cc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)c(C#N)c1 ZINC001232961661 777738952 /nfs/dbraw/zinc/73/89/52/777738952.db2.gz BZTUHLOUOAMFDQ-DOTOQJQBSA-N 0 3 270.376 2.868 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232967389 777742873 /nfs/dbraw/zinc/74/28/73/777742873.db2.gz KLPLWHZLWHGMLK-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029456470 777745356 /nfs/dbraw/zinc/74/53/56/777745356.db2.gz FQEKBXHJMFCHPC-LZWOXQAQSA-N 0 3 264.413 2.672 20 30 CFEDHN CCCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001126559680 777755205 /nfs/dbraw/zinc/75/52/05/777755205.db2.gz FLFYYJFJAIJIEQ-CQSZACIVSA-N 0 3 287.407 2.590 20 30 CFEDHN OC[C@@H]1CCN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001141975642 777839632 /nfs/dbraw/zinc/83/96/32/777839632.db2.gz FCSHDDPROIEZDE-MRXNPFEDSA-N 0 3 297.423 2.962 20 30 CFEDHN COCOc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001233282100 777863599 /nfs/dbraw/zinc/86/35/99/777863599.db2.gz CFHQQGMNTSHEEZ-PHZGNYQRSA-N 0 3 286.375 2.936 20 30 CFEDHN COC(=O)/C=C/c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC001233299174 777873760 /nfs/dbraw/zinc/87/37/60/777873760.db2.gz NVOFOGREEKLCBX-FDMDGMSGSA-N 0 3 298.386 2.998 20 30 CFEDHN C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC)c1ccccc1 ZINC001029594716 777879083 /nfs/dbraw/zinc/87/90/83/777879083.db2.gz UVIXZKZCTVEZRF-BBWFWOEESA-N 0 3 284.403 2.651 20 30 CFEDHN CN1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(C(=O)CC#N)cc1 ZINC001233522632 777976286 /nfs/dbraw/zinc/97/62/86/777976286.db2.gz LIIAYIFYNMNZPE-JLVBRIDZSA-N 0 3 298.386 2.892 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc(C(=O)CC#N)cc2)CC1 ZINC001233524795 777978057 /nfs/dbraw/zinc/97/80/57/777978057.db2.gz FQXOOCFFVLZUCL-CQSZACIVSA-N 0 3 272.348 2.646 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233691511 778043292 /nfs/dbraw/zinc/04/32/92/778043292.db2.gz BHXONYWVJSZXQK-JKSUJKDBSA-N 0 3 289.423 2.548 20 30 CFEDHN C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001277803856 778059749 /nfs/dbraw/zinc/05/97/49/778059749.db2.gz BHUQESCKNJFQAR-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC001088450592 778115630 /nfs/dbraw/zinc/11/56/30/778115630.db2.gz SMUHZZPLJUCYNU-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN C#Cc1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC001233968227 778125795 /nfs/dbraw/zinc/12/57/95/778125795.db2.gz WANMSFMRUQPJNM-QGZVFWFLSA-N 0 3 278.355 2.716 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234038915 778149720 /nfs/dbraw/zinc/14/97/20/778149720.db2.gz GZVUYZHLORVLFI-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN C#CCCN1CCC[C@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029919461 778152421 /nfs/dbraw/zinc/15/24/21/778152421.db2.gz XBTHTOYJXOQQGA-SFHVURJKSA-N 0 3 284.403 2.523 20 30 CFEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCCC(C)C ZINC001234163300 778179380 /nfs/dbraw/zinc/17/93/80/778179380.db2.gz YIFWICDGLUJNNU-MRXNPFEDSA-N 0 3 278.440 2.615 20 30 CFEDHN COc1cc(CN(C)C)cc(F)c1O[C@@H]1CC[C@@H](C#N)C1 ZINC001234239891 778192123 /nfs/dbraw/zinc/19/21/23/778192123.db2.gz ZELSMFDPIGWIGA-DGCLKSJQSA-N 0 3 292.354 2.967 20 30 CFEDHN C#C[C@@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243760 778193252 /nfs/dbraw/zinc/19/32/52/778193252.db2.gz JWGLSIDYNOEYLX-LBPRGKRZSA-N 0 3 265.328 2.687 20 30 CFEDHN C#C[C@H](CC)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243758 778193378 /nfs/dbraw/zinc/19/33/78/778193378.db2.gz JWGLSIDYNOEYLX-GFCCVEGCSA-N 0 3 265.328 2.687 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088540299 778208098 /nfs/dbraw/zinc/20/80/98/778208098.db2.gz RHZKIOCOKSIRPO-HIFRSBDPSA-N 0 3 262.397 2.642 20 30 CFEDHN CCN1CC[C@H](Oc2ccc(/C=C/C(C)=O)cc2OC)C1 ZINC001234334293 778210678 /nfs/dbraw/zinc/21/06/78/778210678.db2.gz GDDRGKIUCNMKMI-NFAHFFEMSA-N 0 3 289.375 2.770 20 30 CFEDHN CCN1CC[C@H](Oc2ccc(/C=C\C(C)=O)cc2OC)C1 ZINC001234334295 778210739 /nfs/dbraw/zinc/21/07/39/778210739.db2.gz GDDRGKIUCNMKMI-YVACAVLKSA-N 0 3 289.375 2.770 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001234508948 778239371 /nfs/dbraw/zinc/23/93/71/778239371.db2.gz GIYAWIWYCZGXPW-LBPRGKRZSA-N 0 3 272.820 2.706 20 30 CFEDHN CCN1CCC[C@@H](Oc2nc3cc(C#N)ccc3o2)C1 ZINC001234461433 778232085 /nfs/dbraw/zinc/23/20/85/778232085.db2.gz ZFCRIWBLIAAVOP-GFCCVEGCSA-N 0 3 271.320 2.563 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C[C@@H](CC)OC ZINC001234554070 778250714 /nfs/dbraw/zinc/25/07/14/778250714.db2.gz DFXWKYDTPAHFCL-HUUCEWRRSA-N 0 3 296.455 2.546 20 30 CFEDHN COc1ccc2c(c1)C[C@H](NC1(CC#N)CCCC1)C2 ZINC001168261061 778278522 /nfs/dbraw/zinc/27/85/22/778278522.db2.gz RQYNDDVHJVCWTO-OAHLLOKOSA-N 0 3 270.376 2.978 20 30 CFEDHN CCN1CCN(c2ccc(O[C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC001234658245 778279972 /nfs/dbraw/zinc/27/99/72/778279972.db2.gz YLWUCKTWVQNPGQ-MAUKXSAKSA-N 0 3 299.418 2.900 20 30 CFEDHN CCN1CCN(c2ccc(O[C@H](C)[C@H](C)S)cc2)CC1 ZINC001234660630 778280531 /nfs/dbraw/zinc/28/05/31/778280531.db2.gz JUXWHWXJLLNKLG-KGLIPLIRSA-N 0 3 294.464 2.914 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001272131892 778360852 /nfs/dbraw/zinc/36/08/52/778360852.db2.gz QPYNYOGMUVTGBT-KBPBESRZSA-N 0 3 268.445 2.881 20 30 CFEDHN CO[C@@H]1CCN(CCOc2cccc(C#N)c2C(C)C)C1 ZINC001234857251 778313285 /nfs/dbraw/zinc/31/32/85/778313285.db2.gz SAHDLBKOCLTOFL-OAHLLOKOSA-N 0 3 288.391 2.781 20 30 CFEDHN C=CCOc1ccccc1O[C@@H]1CN2CCC1CC2 ZINC001229612035 778321758 /nfs/dbraw/zinc/32/17/58/778321758.db2.gz RIJXALIKCBVDEQ-MRXNPFEDSA-N 0 3 259.349 2.724 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001272117177 778357070 /nfs/dbraw/zinc/35/70/70/778357070.db2.gz CFTPQSIZRRAKSM-HUUCEWRRSA-N 0 3 278.440 2.779 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001272132119 778361072 /nfs/dbraw/zinc/36/10/72/778361072.db2.gz VNWOAQKUCADSMK-GJZGRUSLSA-N 0 3 280.456 2.718 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1C ZINC001088623036 778368829 /nfs/dbraw/zinc/36/88/29/778368829.db2.gz DCWLHYCTBFMUFQ-ABAIWWIYSA-N 0 3 294.345 2.734 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1C ZINC001088642375 778372496 /nfs/dbraw/zinc/37/24/96/778372496.db2.gz BLLNKCMRQVRBFA-MFKMUULPSA-N 0 3 296.823 2.617 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1C ZINC001088656904 778378991 /nfs/dbraw/zinc/37/89/91/778378991.db2.gz KKARHCYELPUSSN-OAGGEKHMSA-N 0 3 276.424 2.888 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000989523606 778415537 /nfs/dbraw/zinc/41/55/37/778415537.db2.gz OGQQZIDTAFKPHO-QAQDUYKDSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cccnc32)[C@H]1C ZINC001088711583 778449913 /nfs/dbraw/zinc/44/99/13/778449913.db2.gz PBQXBDAUYRISLC-CJNGLKHVSA-N 0 3 295.386 2.613 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)CC/C=C\c1ccccc1 ZINC001277938019 778459107 /nfs/dbraw/zinc/45/91/07/778459107.db2.gz NBVZXFROEAJGQW-GQPJMJRUSA-N 0 3 298.430 2.940 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H]1C ZINC001088723397 778459795 /nfs/dbraw/zinc/45/97/95/778459795.db2.gz BTZLYAZESQUZQU-HIFRSBDPSA-N 0 3 297.402 2.855 20 30 CFEDHN C=CCCC(=O)NCCCN(C)Cc1ccsc1 ZINC001235452435 778495020 /nfs/dbraw/zinc/49/50/20/778495020.db2.gz ZWNRMBVRRBQJQN-UHFFFAOYSA-N 0 3 266.410 2.652 20 30 CFEDHN N#CCc1ccccc1CN1CC(c2cccnc2)C1 ZINC001235527053 778512100 /nfs/dbraw/zinc/51/21/00/778512100.db2.gz GZJJAJUYCVLGKL-UHFFFAOYSA-N 0 3 263.344 2.747 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001235528083 778512567 /nfs/dbraw/zinc/51/25/67/778512567.db2.gz MBTXNFVIRLUJDK-HNNXBMFYSA-N 0 3 292.329 2.753 20 30 CFEDHN CC1(C#N)CCN(Cc2ccccc2CC#N)CC1 ZINC001235529514 778513406 /nfs/dbraw/zinc/51/34/06/778513406.db2.gz NGNVULTUJSHZDJ-UHFFFAOYSA-N 0 3 253.349 2.878 20 30 CFEDHN Cc1ccnc(CN2CCC3SC(=O)C=C3C2)c1Cl ZINC001235582529 778519714 /nfs/dbraw/zinc/51/97/14/778519714.db2.gz YRAGOLATVMSBLI-GFCCVEGCSA-N 0 3 294.807 2.818 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001076208637 778575367 /nfs/dbraw/zinc/57/53/67/778575367.db2.gz CXUWIMXCFKOOCD-DLBZAZTESA-N 0 3 288.435 2.842 20 30 CFEDHN CN(C)Cc1cncc(-c2ccc(F)c(C#N)c2)c1 ZINC001235895410 778595791 /nfs/dbraw/zinc/59/57/91/778595791.db2.gz JVRPXUXWXBMTHU-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001076630031 778598915 /nfs/dbraw/zinc/59/89/15/778598915.db2.gz ISSDPCJUWFBIOT-NWDGAFQWSA-N 0 3 294.395 2.610 20 30 CFEDHN C#Cc1ccc(CN2CCc3cc(N)ccc3C2)cc1 ZINC001236106761 778696740 /nfs/dbraw/zinc/69/67/40/778696740.db2.gz YFRPTQCIGSRJRS-UHFFFAOYSA-N 0 3 262.356 2.808 20 30 CFEDHN CCN1CCN(Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC001232116812 778900161 /nfs/dbraw/zinc/90/01/61/778900161.db2.gz QKFQPAUAMVISKI-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN O=C1C=C2CN(Cc3nc(Cl)ccc3F)CCC2S1 ZINC001232156319 778905044 /nfs/dbraw/zinc/90/50/44/778905044.db2.gz DDHJQJQQKYIXSE-NSHDSACASA-N 0 3 298.770 2.648 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@H]1C ZINC001088872785 778926398 /nfs/dbraw/zinc/92/63/98/778926398.db2.gz NGALODIROMCQNB-TUVASFSCSA-N 0 3 288.391 2.538 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898179 778940821 /nfs/dbraw/zinc/94/08/21/778940821.db2.gz RZBKSIDXPSVERD-PWSUYJOCSA-N 0 3 296.823 2.617 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]1C ZINC001088985754 778966915 /nfs/dbraw/zinc/96/69/15/778966915.db2.gz RZYFXGJTWMJKLD-LZWOXQAQSA-N 0 3 272.392 2.555 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)[C@H]1C ZINC001088993296 778967615 /nfs/dbraw/zinc/96/76/15/778967615.db2.gz AJFFVVMJSBKPKT-INMHGKMJSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)[C@H]1C ZINC001088988518 778968146 /nfs/dbraw/zinc/96/81/46/778968146.db2.gz AVBWZTZGQSMPFT-INMHGKMJSA-N 0 3 286.419 2.864 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CCC[C@@]1(C)O ZINC001232844512 778982479 /nfs/dbraw/zinc/98/24/79/778982479.db2.gz RZBRLYWOCNCBGO-BXUZGUMPSA-N 0 3 264.394 2.603 20 30 CFEDHN CCC(=O)N1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC001089093672 778996784 /nfs/dbraw/zinc/99/67/84/778996784.db2.gz ZKKVBPCTVYKYNM-KRWDZBQOSA-N 0 3 299.418 2.781 20 30 CFEDHN CCN(Cc1ccc(C)cc1C#N)C1CCOCC1 ZINC001232966724 779000628 /nfs/dbraw/zinc/00/06/28/779000628.db2.gz SQORZSBCPIKZKL-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@H]12 ZINC000992237877 779054702 /nfs/dbraw/zinc/05/47/02/779054702.db2.gz BGFSEAQCPXRSIT-CBZIJGRNSA-N 0 3 290.451 2.968 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)Cc2cccc(C)c2)CC1 ZINC001278071629 779058815 /nfs/dbraw/zinc/05/88/15/779058815.db2.gz MERXLGIZOQOLIW-UHFFFAOYSA-N 0 3 298.430 2.532 20 30 CFEDHN C=CCCC(=O)N1CC[C@@H](CCNCC(=C)Cl)C1 ZINC001272377274 779070638 /nfs/dbraw/zinc/07/06/38/779070638.db2.gz SPOOMPZPVVROCM-CYBMUJFWSA-N 0 3 270.804 2.533 20 30 CFEDHN N#Cc1cc(CN2CCC3(CC(F)(F)C3)CC2)ccn1 ZINC001237462104 779112672 /nfs/dbraw/zinc/11/26/72/779112672.db2.gz HJTLDWWSCJXDLP-UHFFFAOYSA-N 0 3 277.318 2.965 20 30 CFEDHN COc1cccc([C@H]2CCN(Cc3ccnc(C#N)c3)C2)c1 ZINC001237461717 779113088 /nfs/dbraw/zinc/11/30/88/779113088.db2.gz CXFYTANLOGLRBU-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN CO[C@@H]1CCCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237464704 779114144 /nfs/dbraw/zinc/11/41/44/779114144.db2.gz GAJAJBHUMWUBAN-OAHLLOKOSA-N 0 3 283.375 2.661 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2C ZINC001121872358 779120758 /nfs/dbraw/zinc/12/07/58/779120758.db2.gz JAWDXROPDXMZBF-JKSUJKDBSA-N 0 3 272.392 2.782 20 30 CFEDHN N#Cc1ccc2nc(CN3C[C@H]4CCCC[C@@H]4C3)cn2c1 ZINC001237609067 779141976 /nfs/dbraw/zinc/14/19/76/779141976.db2.gz MBYBDGXKYVDBBP-HUUCEWRRSA-N 0 3 280.375 2.828 20 30 CFEDHN C[C@H]1CCCCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237614849 779142993 /nfs/dbraw/zinc/14/29/93/779142993.db2.gz SBNOUZSAJDQRQL-ZDUSSCGKSA-N 0 3 268.364 2.970 20 30 CFEDHN CC(C)[C@H]1CCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237618151 779144176 /nfs/dbraw/zinc/14/41/76/779144176.db2.gz PNJVMUCEEQBLRL-OAHLLOKOSA-N 0 3 268.364 2.826 20 30 CFEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCCOC1 ZINC001237754391 779175782 /nfs/dbraw/zinc/17/57/82/779175782.db2.gz KRCCNKVRIZFWDJ-CQSZACIVSA-N 0 3 264.756 2.822 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccs2)CC(C)(C)C1 ZINC001089307919 779190526 /nfs/dbraw/zinc/19/05/26/779190526.db2.gz WRTJTNLRUFXLCG-ZDUSSCGKSA-N 0 3 290.432 2.602 20 30 CFEDHN C=CCN(Cc1cccc(N2CCOCC2)n1)C(C)(C)C ZINC001237853717 779194553 /nfs/dbraw/zinc/19/45/53/779194553.db2.gz HMLDKCADGRQDAD-UHFFFAOYSA-N 0 3 289.423 2.705 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)CC(C)(C)C1 ZINC001089311614 779204142 /nfs/dbraw/zinc/20/41/42/779204142.db2.gz CEADVVYZDAGUKR-HZPDHXFCSA-N 0 3 288.435 2.583 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000176530251 779218480 /nfs/dbraw/zinc/21/84/80/779218480.db2.gz JQYMPMWYDRGFLE-CQSZACIVSA-N 0 3 270.332 2.999 20 30 CFEDHN COc1cc(CN2CCC[C@H](F)CC2)ccc1C#N ZINC001238408994 779307302 /nfs/dbraw/zinc/30/73/02/779307302.db2.gz AOKKGIWYXGETIN-AWEZNQCLSA-N 0 3 262.328 2.891 20 30 CFEDHN CCc1cc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)ccc1C#N ZINC001238767838 779385169 /nfs/dbraw/zinc/38/51/69/779385169.db2.gz CQIBXCVFTJVIAV-CSMYWGQOSA-N 0 3 270.376 2.587 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046866989 779399243 /nfs/dbraw/zinc/39/92/43/779399243.db2.gz QJMFSLCOPMCELH-QGZVFWFLSA-N 0 3 290.382 2.926 20 30 CFEDHN N#Cc1ncc(-c2ccc3c(N)ccnc3c2)cc1F ZINC001238991748 779435433 /nfs/dbraw/zinc/43/54/33/779435433.db2.gz COANEEYWVHNHCH-UHFFFAOYSA-N 0 3 264.263 2.890 20 30 CFEDHN CC[NH+](CC)CCn1cc(-c2ccccc2C=N[O-])cn1 ZINC001239217345 779476935 /nfs/dbraw/zinc/47/69/35/779476935.db2.gz WISDWBNRVKKCMH-UHFFFAOYSA-N 0 3 286.379 2.700 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)CC(C)(C)C1 ZINC001089487923 779495072 /nfs/dbraw/zinc/49/50/72/779495072.db2.gz QBRREVXAKHDKIJ-OWCLPIDISA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCCCNC(=O)N1CCN[C@H](C(C)C)C1 ZINC001239283113 779500140 /nfs/dbraw/zinc/50/01/40/779500140.db2.gz FUXZACFYPHIVSX-HNNXBMFYSA-N 0 3 283.460 2.986 20 30 CFEDHN CCCCCCCCOC(=O)N[C@H]1CCNC[C@H]1F ZINC001239315170 779509446 /nfs/dbraw/zinc/50/94/46/779509446.db2.gz LTVPCBMVFGBHAH-OLZOCXBDSA-N 0 3 274.380 2.773 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CC1 ZINC001089593554 779533395 /nfs/dbraw/zinc/53/33/95/779533395.db2.gz NDGNSSLYYXQBED-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN CCCCCCCCNC(=S)N[C@@H]1CCNC[C@H]1F ZINC001239355261 779533497 /nfs/dbraw/zinc/53/34/97/779533497.db2.gz GAHPXTINCYLYLV-CHWSQXEVSA-N 0 3 289.464 2.511 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)/C(C)=C/CC ZINC001272673987 779536303 /nfs/dbraw/zinc/53/63/03/779536303.db2.gz YQESVCDSVIIDJU-JXPAYYINSA-N 0 3 258.793 2.580 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089600459 779538983 /nfs/dbraw/zinc/53/89/83/779538983.db2.gz NSVISTGOCYHLDI-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001089732173 779579454 /nfs/dbraw/zinc/57/94/54/779579454.db2.gz OAKGKESREINEBG-AWEZNQCLSA-N 0 3 289.423 2.730 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(Cl)s1 ZINC000131048008 779711885 /nfs/dbraw/zinc/71/18/85/779711885.db2.gz GBBZGONDRZFNOI-JTQLQIEISA-N 0 3 298.795 2.568 20 30 CFEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccncc1C ZINC001272717095 779716568 /nfs/dbraw/zinc/71/65/68/779716568.db2.gz PBPDJQCNIUXNRJ-SFHVURJKSA-N 0 3 299.418 2.533 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001032234363 779779787 /nfs/dbraw/zinc/77/97/87/779779787.db2.gz PDKKMFWIMFHRMN-UHFFFAOYSA-N 0 3 293.436 2.504 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001032403872 779932264 /nfs/dbraw/zinc/93/22/64/779932264.db2.gz JNYQZXKLXAKICS-PMPSAXMXSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032420732 779949346 /nfs/dbraw/zinc/94/93/46/779949346.db2.gz ASLBGXQGVHRHSA-XYJFISCASA-N 0 3 288.435 2.984 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032420731 779950071 /nfs/dbraw/zinc/95/00/71/779950071.db2.gz ASLBGXQGVHRHSA-BQFCYCMXSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1CC ZINC001032471826 779965007 /nfs/dbraw/zinc/96/50/07/779965007.db2.gz HCINXYOOPCINTP-ROUUACIJSA-N 0 3 298.430 2.653 20 30 CFEDHN COc1ccc([C@H]2C[C@@H](NCC3(C#N)CC3)CCO2)cc1 ZINC001168598133 780029736 /nfs/dbraw/zinc/02/97/36/780029736.db2.gz CWJOTXXNEJKYBH-GOEBONIOSA-N 0 3 286.375 2.809 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038524885 780034100 /nfs/dbraw/zinc/03/41/00/780034100.db2.gz KFVORJVJLMDBNE-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(C)c1 ZINC001032596652 780061084 /nfs/dbraw/zinc/06/10/84/780061084.db2.gz MVWGBPXXLAFTBJ-GJZGRUSLSA-N 0 3 288.366 2.609 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)F ZINC001032614511 780075166 /nfs/dbraw/zinc/07/51/66/780075166.db2.gz SANRHXZNZQYDIG-RYUDHWBXSA-N 0 3 286.366 2.529 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001032669582 780124074 /nfs/dbraw/zinc/12/40/74/780124074.db2.gz QYNONVBRGVZLQY-FJIDUMEYSA-N 0 3 296.414 2.651 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1 ZINC001032748420 780175660 /nfs/dbraw/zinc/17/56/60/780175660.db2.gz NQTQROVAKPKDFP-ROUUACIJSA-N 0 3 298.430 2.871 20 30 CFEDHN C=C[C@H](COC)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC001116620298 780200221 /nfs/dbraw/zinc/20/02/21/780200221.db2.gz IBQCJUBCIGFISD-UKRRQHHQSA-N 0 3 271.364 2.724 20 30 CFEDHN C=C[C@H](COC)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC001116644381 780207866 /nfs/dbraw/zinc/20/78/66/780207866.db2.gz ZJAIURGQIBWKAQ-ZIAGYGMSSA-N 0 3 277.364 2.700 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccccc1 ZINC001032794622 780243546 /nfs/dbraw/zinc/24/35/46/780243546.db2.gz YMFDWKONQMDXET-NJAFHUGGSA-N 0 3 298.430 2.726 20 30 CFEDHN C#CCN1CC[C@]2(CCCN2Cc2ccc(C)c(C)c2)C1=O ZINC001272988379 780453062 /nfs/dbraw/zinc/45/30/62/780453062.db2.gz QHGCQYVWRKYFDJ-LJQANCHMSA-N 0 3 296.414 2.504 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCNCc1ocnc1C ZINC001273002074 780472064 /nfs/dbraw/zinc/47/20/64/780472064.db2.gz RKLQGNFMWJJCCR-WBMJQRKESA-N 0 3 293.411 2.570 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001033058346 780547007 /nfs/dbraw/zinc/54/70/07/780547007.db2.gz ORNPHFMOVFFYAW-GFCCVEGCSA-N 0 3 296.411 3.000 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001033102547 780563264 /nfs/dbraw/zinc/56/32/64/780563264.db2.gz ZLSXBYRXKOAOQQ-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033103339 780563775 /nfs/dbraw/zinc/56/37/75/780563775.db2.gz OUYNHFSPNVUARO-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033289781 780642982 /nfs/dbraw/zinc/64/29/82/780642982.db2.gz LMQWLDVHBBGYQG-SFHVURJKSA-N 0 3 298.430 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2cccc(C)c2)C1 ZINC001033379979 780667035 /nfs/dbraw/zinc/66/70/35/780667035.db2.gz OJMWYLIFUWGOMO-KRWDZBQOSA-N 0 3 286.419 2.646 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033386131 780673850 /nfs/dbraw/zinc/67/38/50/780673850.db2.gz ZXSAXWGWEBPCQK-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033416530 780676871 /nfs/dbraw/zinc/67/68/71/780676871.db2.gz MEPCRALJQKJOBJ-KBPBESRZSA-N 0 3 292.448 2.960 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459002 780687388 /nfs/dbraw/zinc/68/73/88/780687388.db2.gz VGRBLXREIOMTIE-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(CC)cc2)C1 ZINC001033468946 780690386 /nfs/dbraw/zinc/69/03/86/780690386.db2.gz AXGYSCVJEODWCF-KRWDZBQOSA-N 0 3 286.419 2.510 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033519836 780702378 /nfs/dbraw/zinc/70/23/78/780702378.db2.gz WYSFIVIGYDMYID-IRXDYDNUSA-N 0 3 298.430 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C)CC(F)(F)C2)C1 ZINC001033574580 780716452 /nfs/dbraw/zinc/71/64/52/780716452.db2.gz ZDJVATDWKPTUJW-LBPRGKRZSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033692727 780750995 /nfs/dbraw/zinc/75/09/95/780750995.db2.gz LVHLLCJLSPAYIF-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001033691283 780754892 /nfs/dbraw/zinc/75/48/92/780754892.db2.gz LNWPWSZJUPRPSV-SJJHQCBESA-N 0 3 290.451 2.922 20 30 CFEDHN CN1CCC[C@](C)(Nc2nc(Cl)c(F)cc2C#N)C1 ZINC001162330775 780755747 /nfs/dbraw/zinc/75/57/47/780755747.db2.gz IZBRJTVQCCOTRX-ZDUSSCGKSA-N 0 3 282.750 2.642 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033704430 780756591 /nfs/dbraw/zinc/75/65/91/780756591.db2.gz LLDWFNXLOPFAJZ-AWEZNQCLSA-N 0 3 288.391 2.573 20 30 CFEDHN CN1CC=C(c2ccc(C3(C#N)CCC3)cn2)CC1 ZINC001241308971 780772377 /nfs/dbraw/zinc/77/23/77/780772377.db2.gz OKBDKMCELXUOSL-UHFFFAOYSA-N 0 3 253.349 2.746 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001033785127 780785637 /nfs/dbraw/zinc/78/56/37/780785637.db2.gz YQYKWIDKQQWZAF-WCVJEAGWSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnccc2C)C1 ZINC001033779744 780786961 /nfs/dbraw/zinc/78/69/61/780786961.db2.gz CEQMCBQFGQIARR-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033874513 780815631 /nfs/dbraw/zinc/81/56/31/780815631.db2.gz ZXEYZCCHSBQHQL-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CC(C)(C)CCNCc1nc(Br)c[nH]1 ZINC000701865957 780846920 /nfs/dbraw/zinc/84/69/20/780846920.db2.gz YGNBKDBDDPTMKU-UHFFFAOYSA-N 0 3 272.190 2.864 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033983770 780849389 /nfs/dbraw/zinc/84/93/89/780849389.db2.gz XSXSJNHFLJZEEJ-YESZJQIVSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccnc(C)c2)C1 ZINC001033993400 780850242 /nfs/dbraw/zinc/85/02/42/780850242.db2.gz WFRIVSRPKPXADV-MRXNPFEDSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001034091568 780887558 /nfs/dbraw/zinc/88/75/58/780887558.db2.gz PWWMVKMKRFRSAD-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001034156475 780905024 /nfs/dbraw/zinc/90/50/24/780905024.db2.gz ALSCDZLWCPZEGK-WCVJEAGWSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034152394 780909589 /nfs/dbraw/zinc/90/95/89/780909589.db2.gz SKNNRYNTSWBJHK-ZDUSSCGKSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034155809 780911051 /nfs/dbraw/zinc/91/10/51/780911051.db2.gz OMQQQGJKEMSLEP-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034225453 780929524 /nfs/dbraw/zinc/92/95/24/780929524.db2.gz JCYLUXFWVSRCAM-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034266197 780935293 /nfs/dbraw/zinc/93/52/93/780935293.db2.gz NITVXNKYOQGCIC-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034271929 780936966 /nfs/dbraw/zinc/93/69/66/780936966.db2.gz KDVODODWQGVVOK-GJZGRUSLSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034302409 780942311 /nfs/dbraw/zinc/94/23/11/780942311.db2.gz SQVDAPKCDUEDNQ-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034320841 780946461 /nfs/dbraw/zinc/94/64/61/780946461.db2.gz BGFQQHPRBRXUJY-NXOAAHMSSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034355596 780950826 /nfs/dbraw/zinc/95/08/26/780950826.db2.gz LFHSNOHVCHGXHF-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034352940 780955416 /nfs/dbraw/zinc/95/54/16/780955416.db2.gz FKQPCRQZAOHAQU-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376230 780961692 /nfs/dbraw/zinc/96/16/92/780961692.db2.gz KXHIYAYGIKZEDS-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccccc2C)C1 ZINC001034515666 780990085 /nfs/dbraw/zinc/99/00/85/780990085.db2.gz JQBVTMUJHLJRTO-KRWDZBQOSA-N 0 3 286.419 2.694 20 30 CFEDHN CCN1CCN(c2ccc(-c3ccncc3C#N)cc2)CC1 ZINC001241742473 781105200 /nfs/dbraw/zinc/10/52/00/781105200.db2.gz FHHGMPMENJPAIO-UHFFFAOYSA-N 0 3 292.386 2.762 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1C=CCC1)CC2 ZINC001035648439 781151788 /nfs/dbraw/zinc/15/17/88/781151788.db2.gz JMHARXOVHRQOBK-MRXNPFEDSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001035676072 781155487 /nfs/dbraw/zinc/15/54/87/781155487.db2.gz ZMBPGATXVVWKAD-UHFFFAOYSA-N 0 3 276.424 2.677 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@]1(C)CC)CC2 ZINC001035826495 781172969 /nfs/dbraw/zinc/17/29/69/781172969.db2.gz GWWSJJYWDWKCOT-RDJZCZTQSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)CC2 ZINC001035811971 781174246 /nfs/dbraw/zinc/17/42/46/781174246.db2.gz LGDFWWBBWMFQOF-HZPDHXFCSA-N 0 3 290.451 2.923 20 30 CFEDHN CCC(=O)N1CCC[C@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001036335375 781238443 /nfs/dbraw/zinc/23/84/43/781238443.db2.gz VFLRWIBZIWTXBS-YOEHRIQHSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@H](C#N)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707919385 781258928 /nfs/dbraw/zinc/25/89/28/781258928.db2.gz VJCIDNVJCYKTIQ-RFGFWPKPSA-N 0 3 293.411 2.524 20 30 CFEDHN C[C@@H](C#N)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707919377 781259218 /nfs/dbraw/zinc/25/92/18/781259218.db2.gz VJCIDNVJCYKTIQ-FQUUOJAGSA-N 0 3 293.411 2.524 20 30 CFEDHN C#Cc1ccc(-c2ccc3c(c2)COC32CNC2)cc1 ZINC001242296200 781375340 /nfs/dbraw/zinc/37/53/40/781375340.db2.gz WKTPYXBKOJZOCY-UHFFFAOYSA-N 0 3 261.324 2.664 20 30 CFEDHN CC1(C)C[C@@H](CN2CCC[C@H](C#N)C2)C(C)(C)O1 ZINC000711262131 781404492 /nfs/dbraw/zinc/40/44/92/781404492.db2.gz NMUINNSERCMDMU-OLZOCXBDSA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCCCC(=O)NC[C@@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001108169113 781409243 /nfs/dbraw/zinc/40/92/43/781409243.db2.gz KGLBPWNZWAAALU-RDJZCZTQSA-N 0 3 296.455 2.596 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@H](C)c2cccc(C)c2)CCC1 ZINC001273161477 781427708 /nfs/dbraw/zinc/42/77/08/781427708.db2.gz JVPPMNQMFQCQCY-INIZCTEOSA-N 0 3 298.430 2.750 20 30 CFEDHN C#CCNC1(CNC(=O)C[C@H](CC)C(C)(C)C)CCC1 ZINC001273179771 781470906 /nfs/dbraw/zinc/47/09/06/781470906.db2.gz LQRXEYXNTVTNBI-AWEZNQCLSA-N 0 3 278.440 2.711 20 30 CFEDHN Cc1cc(C#N)cc(-c2ccc3c(c2)COC32CNC2)c1 ZINC001242480638 781533945 /nfs/dbraw/zinc/53/39/45/781533945.db2.gz NFEIOCSKTQOGNY-UHFFFAOYSA-N 0 3 276.339 2.862 20 30 CFEDHN Cc1ccc(C#N)cc1-c1cnccc1N1CCOCC1 ZINC001242541413 781580570 /nfs/dbraw/zinc/58/05/70/781580570.db2.gz DZPIBNMFGPVNOY-UHFFFAOYSA-N 0 3 279.343 2.765 20 30 CFEDHN Cc1ccc(C#N)cc1-c1cc(CN(C)C)ccn1 ZINC001242543740 781583144 /nfs/dbraw/zinc/58/31/44/781583144.db2.gz IYCRZKVFBWRRTI-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN CN(C)Cc1cccc(-c2ccc(F)cc2C#N)n1 ZINC001242582157 781615278 /nfs/dbraw/zinc/61/52/78/781615278.db2.gz MQHWJUJBIQWBTL-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)C1 ZINC001080404484 781659970 /nfs/dbraw/zinc/65/99/70/781659970.db2.gz KAXWTFRYGNSRCV-HUUCEWRRSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001080490384 781662651 /nfs/dbraw/zinc/66/26/51/781662651.db2.gz QSHNKWAKSKDZCR-HUUCEWRRSA-N 0 3 272.392 2.540 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001080725071 781674383 /nfs/dbraw/zinc/67/43/83/781674383.db2.gz AZNVTFZQXYSQNF-RBSFLKMASA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001080777757 781676178 /nfs/dbraw/zinc/67/61/78/781676178.db2.gz FDXCYUNKCXQXLD-KWCYVHTRSA-N 0 3 292.448 2.783 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001080871897 781683217 /nfs/dbraw/zinc/68/32/17/781683217.db2.gz VDPWVPMGBRYEGA-CXAGYDPISA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001080958528 781688513 /nfs/dbraw/zinc/68/85/13/781688513.db2.gz YIPGVAALASCUSW-GDBMZVCRSA-N 0 3 276.424 2.745 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001081012113 781689637 /nfs/dbraw/zinc/68/96/37/781689637.db2.gz CBLAKQQVHDMUGY-RDTXWAMCSA-N 0 3 296.414 2.637 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001081014226 781689967 /nfs/dbraw/zinc/68/99/67/781689967.db2.gz ZBURQPSQEIKFBV-OWCLPIDISA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001081031043 781692858 /nfs/dbraw/zinc/69/28/58/781692858.db2.gz MSFWOOLTGXHLQU-AGERRDQYSA-N 0 3 298.430 2.803 20 30 CFEDHN C=C[C@H](C)[C@H](C)C(=O)NCCCNCC=C(Cl)Cl ZINC001164221305 781694415 /nfs/dbraw/zinc/69/44/15/781694415.db2.gz AEFUQPAABVJPFR-QWRGUYRKSA-N 0 3 293.238 2.860 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCCC[C@H]2C)CCC1 ZINC001273208118 781750162 /nfs/dbraw/zinc/75/01/62/781750162.db2.gz JMHPIGRBCCMZDB-CVEARBPZSA-N 0 3 290.451 2.855 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC001084590383 781806172 /nfs/dbraw/zinc/80/61/72/781806172.db2.gz HECZAKWEKWPUCX-QLFBSQMISA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CCC)C[C@@H]21 ZINC001085026518 781884435 /nfs/dbraw/zinc/88/44/35/781884435.db2.gz OBCYBSNRCHOYJR-FPCVCCKLSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001231062679 781899797 /nfs/dbraw/zinc/89/97/97/781899797.db2.gz RZGRIFQFOMIEFZ-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN COC[C@H](CC(C)(C)C)NCc1ccc(C#N)o1 ZINC000594512228 349436579 /nfs/dbraw/zinc/43/65/79/349436579.db2.gz CHBOUIWFSFORMC-NSHDSACASA-N 0 3 250.342 2.692 20 30 CFEDHN CS[C@H](CO)[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594514046 349437225 /nfs/dbraw/zinc/43/72/25/349437225.db2.gz OSTKLWHZVPLGNX-IUODEOHRSA-N 0 3 292.448 2.690 20 30 CFEDHN CO[C@H](C)[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516127 349437954 /nfs/dbraw/zinc/43/79/54/349437954.db2.gz BDZHMBNFGCLJAA-QWHCGFSZSA-N 0 3 258.365 2.950 20 30 CFEDHN CO[C@@H](C)[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516124 349438385 /nfs/dbraw/zinc/43/83/85/349438385.db2.gz BDZHMBNFGCLJAA-OLZOCXBDSA-N 0 3 258.365 2.950 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)C1 ZINC000594516710 349439352 /nfs/dbraw/zinc/43/93/52/349439352.db2.gz DVHUDPBRSPQTDJ-CTYIDZIISA-N 0 3 298.390 2.642 20 30 CFEDHN N#Cc1cc2c(nc1N[C@@H]1CCCN3CCCC[C@H]13)CCC2 ZINC000594597972 349456010 /nfs/dbraw/zinc/45/60/10/349456010.db2.gz FPJMLKUUTVTWCX-IAGOWNOFSA-N 0 3 296.418 2.871 20 30 CFEDHN N#Cc1cc2c(nc1N[C@H]1CCCN3CCCC[C@H]13)CCC2 ZINC000594597971 349456272 /nfs/dbraw/zinc/45/62/72/349456272.db2.gz FPJMLKUUTVTWCX-DLBZAZTESA-N 0 3 296.418 2.871 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594596523 349456316 /nfs/dbraw/zinc/45/63/16/349456316.db2.gz AJVOUWAMOGKPQM-LSDHHAIUSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1cccc(NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000594597620 349456336 /nfs/dbraw/zinc/45/63/36/349456336.db2.gz PVJONUGHHNNQEO-KRWDZBQOSA-N 0 3 285.391 2.614 20 30 CFEDHN C=CCCCCNCc1cc(C(=O)OC)oc1C ZINC000594611261 349463270 /nfs/dbraw/zinc/46/32/70/349463270.db2.gz HFRSCPVCGRSXSX-UHFFFAOYSA-N 0 3 251.326 2.821 20 30 CFEDHN CC(C)OC(=O)C[C@@H](NCc1ccc(C#N)o1)C(C)C ZINC000594622370 349466014 /nfs/dbraw/zinc/46/60/14/349466014.db2.gz FGSKJOJMUNCRLI-CQSZACIVSA-N 0 3 278.352 2.607 20 30 CFEDHN CCC[C@@H](N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657426 349470114 /nfs/dbraw/zinc/47/01/14/349470114.db2.gz BBNPGMJLDCEPHD-GFCCVEGCSA-N 0 3 261.373 2.552 20 30 CFEDHN C[C@@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000594719867 349479922 /nfs/dbraw/zinc/47/99/22/349479922.db2.gz FYDIBACBIZIIJY-MFKMUULPSA-N 0 3 266.291 2.633 20 30 CFEDHN N#CC1(c2ccc(CNC[C@@H]3CCCCO3)cc2)CC1 ZINC000594919052 349506793 /nfs/dbraw/zinc/50/67/93/349506793.db2.gz VZTNFVYTKNJRBG-INIZCTEOSA-N 0 3 270.376 2.900 20 30 CFEDHN C=CCCOCCNCc1cc(F)cc(OC)c1 ZINC000312508926 260134881 /nfs/dbraw/zinc/13/48/81/260134881.db2.gz IVIYLRPMHSLVEA-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN N#CC1(c2ccc(CNCc3cccnc3)cc2)CC1 ZINC000594922346 349509411 /nfs/dbraw/zinc/50/94/11/349509411.db2.gz KOBHXLKTMQGXLO-UHFFFAOYSA-N 0 3 263.344 2.927 20 30 CFEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cnn(C)c1 ZINC000594924266 349510261 /nfs/dbraw/zinc/51/02/61/349510261.db2.gz XXLDPPHLLVWNCB-CYBMUJFWSA-N 0 3 280.375 2.826 20 30 CFEDHN COCc1csc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000594948285 349524610 /nfs/dbraw/zinc/52/46/10/349524610.db2.gz YPOOGHJVWHAOQW-PWSUYJOCSA-N 0 3 250.367 2.676 20 30 CFEDHN COC[C@@H](C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000594950427 349525550 /nfs/dbraw/zinc/52/55/50/349525550.db2.gz KVUSCUROIYJNQA-VNQPRFMTSA-N 0 3 288.391 2.882 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)c1ccccn1 ZINC000594954530 349527218 /nfs/dbraw/zinc/52/72/18/349527218.db2.gz NASSGWMUPGOZQH-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN C=CCCSCCNCc1ccc(C#N)c(OC)c1 ZINC000594960615 349530614 /nfs/dbraw/zinc/53/06/14/349530614.db2.gz WFUFOYVQMOGGSK-UHFFFAOYSA-N 0 3 276.405 2.966 20 30 CFEDHN C=CCCSCCNCc1ccc([N+](=O)[O-])cc1 ZINC000594959918 349530645 /nfs/dbraw/zinc/53/06/45/349530645.db2.gz FZADQBTYZSTJTD-UHFFFAOYSA-N 0 3 266.366 2.994 20 30 CFEDHN C=CCCSCCNCc1ccccc1[N+](=O)[O-] ZINC000594960551 349530661 /nfs/dbraw/zinc/53/06/61/349530661.db2.gz SMVYCAOXTSWNLK-UHFFFAOYSA-N 0 3 266.366 2.994 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNCc1ccc(C#N)cc1F ZINC000594961143 349531342 /nfs/dbraw/zinc/53/13/42/349531342.db2.gz GBELOVNMPRJGRV-AWEZNQCLSA-N 0 3 275.371 2.660 20 30 CFEDHN C=CCCSCCNCc1c(C2CC2)cnn1C ZINC000594968518 349534229 /nfs/dbraw/zinc/53/42/29/349534229.db2.gz QKAYIAQVJVXJJO-UHFFFAOYSA-N 0 3 265.426 2.696 20 30 CFEDHN C=CCCSCCNCc1cnc(C2CC2)nc1 ZINC000594968531 349534329 /nfs/dbraw/zinc/53/43/29/349534329.db2.gz RHACHMIRJZOUGL-UHFFFAOYSA-N 0 3 263.410 2.753 20 30 CFEDHN C[C@H]1CCC[C@H](CNCc2ccc(C#N)c(F)c2)O1 ZINC000594982936 349537807 /nfs/dbraw/zinc/53/78/07/349537807.db2.gz CWWOTSHFEUTCSF-SMDDNHRTSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)cc1)C1CCCC1 ZINC000594993442 349541253 /nfs/dbraw/zinc/54/12/53/349541253.db2.gz GLIWFLHFRGHRDV-INIZCTEOSA-N 0 3 258.365 2.853 20 30 CFEDHN Cn1ccc(CNC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594984698 349539269 /nfs/dbraw/zinc/53/92/69/349539269.db2.gz RGSAGXLUOMQDTJ-UHFFFAOYSA-N 0 3 295.386 2.692 20 30 CFEDHN CCSC1(CNCc2ccc(C#N)s2)CC1 ZINC000594986771 349540090 /nfs/dbraw/zinc/54/00/90/349540090.db2.gz JFRYSAFSVZNPKE-UHFFFAOYSA-N 0 3 252.408 2.995 20 30 CFEDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCCC#N ZINC000595010938 349547903 /nfs/dbraw/zinc/54/79/03/349547903.db2.gz KGDLMCJEVHFKNH-LLVKDONJSA-N 0 3 277.324 2.948 20 30 CFEDHN CO[C@H](CNCc1cccc(C#N)c1)C1CCCC1 ZINC000594994682 349541946 /nfs/dbraw/zinc/54/19/46/349541946.db2.gz NFIPDHAYDFXVJS-MRXNPFEDSA-N 0 3 258.365 2.853 20 30 CFEDHN CC(C)OCCCNCc1ccc(C#N)cc1F ZINC000083382596 178383401 /nfs/dbraw/zinc/38/34/01/178383401.db2.gz FZTQICAEHDGDPW-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000595058147 349569767 /nfs/dbraw/zinc/56/97/67/349569767.db2.gz YPQFHIQFEQKZDF-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595089478 349576979 /nfs/dbraw/zinc/57/69/79/349576979.db2.gz IWUPEWXLFBMLGW-GLQYFDAESA-N 0 3 256.349 2.512 20 30 CFEDHN COC[C@@H](CC1CCOCC1)NCC1(C#N)CCCCC1 ZINC000595090306 349577151 /nfs/dbraw/zinc/57/71/51/349577151.db2.gz NDAKBYOYZQQWCY-MRXNPFEDSA-N 0 3 294.439 2.882 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@H]1NCC1(C#N)CCCCC1 ZINC000595091059 349578584 /nfs/dbraw/zinc/57/85/84/349578584.db2.gz MVEMBKMZSUKEMW-DZGCQCFKSA-N 0 3 261.413 2.533 20 30 CFEDHN C[C@H](NC[C@@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000595092826 349579495 /nfs/dbraw/zinc/57/94/95/349579495.db2.gz XHBZRZRUXQAOGX-FZMZJTMJSA-N 0 3 276.355 2.757 20 30 CFEDHN N#CC1(CNC(=O)Nc2cccc(CN)c2)CCCCC1 ZINC000595233135 349585486 /nfs/dbraw/zinc/58/54/86/349585486.db2.gz UHZAVMGSCNQZDS-UHFFFAOYSA-N 0 3 286.379 2.741 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000595256373 349588159 /nfs/dbraw/zinc/58/81/59/349588159.db2.gz NZRRUXBSPWYIGW-JKSUJKDBSA-N 0 3 291.439 2.826 20 30 CFEDHN C[C@@H]1N(C(=O)[C@H](N)CCCC#N)c2ccccc2C1(C)C ZINC000595256916 349588320 /nfs/dbraw/zinc/58/83/20/349588320.db2.gz FKQGKOCTYMOORD-GXTWGEPZSA-N 0 3 285.391 2.720 20 30 CFEDHN C[C@H]1C[C@H](C)CN(CCN(CCC#N)Cc2ccco2)C1 ZINC000595334513 349604716 /nfs/dbraw/zinc/60/47/16/349604716.db2.gz RNCXVJROHGFOQM-HOTGVXAUSA-N 0 3 289.423 2.973 20 30 CFEDHN CC1(C)CN(CCc2ccc(C#N)cc2)C(C)(C)CO1 ZINC000595321450 349601272 /nfs/dbraw/zinc/60/12/72/349601272.db2.gz JLEBVZAANOWXRE-UHFFFAOYSA-N 0 3 272.392 2.990 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000595286535 349591560 /nfs/dbraw/zinc/59/15/60/349591560.db2.gz KRIYXLBPXRVKNI-UHFFFAOYSA-N 0 3 294.354 2.961 20 30 CFEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000595293687 349593727 /nfs/dbraw/zinc/59/37/27/349593727.db2.gz DFBJHWYRCVEHBG-ZDUSSCGKSA-N 0 3 258.365 2.600 20 30 CFEDHN Cc1noc([C@@H]2CCCN(CCc3ccc(C#N)cc3)C2)n1 ZINC000595296241 349594542 /nfs/dbraw/zinc/59/45/42/349594542.db2.gz YIWARDVUTZPYCS-MRXNPFEDSA-N 0 3 296.374 2.672 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000595397462 349616104 /nfs/dbraw/zinc/61/61/04/349616104.db2.gz IUBVEWOFECGVSF-ULQDDVLXSA-N 0 3 277.456 2.978 20 30 CFEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001231171122 781919911 /nfs/dbraw/zinc/91/99/11/781919911.db2.gz YCJCFEKLKHQLJN-AWEZNQCLSA-N 0 3 270.392 2.625 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000273116944 192048516 /nfs/dbraw/zinc/04/85/16/192048516.db2.gz YPOYXVMYDVZPPS-DLBZAZTESA-N 0 3 286.375 2.614 20 30 CFEDHN N#Cc1nccnc1N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000068768386 346868248 /nfs/dbraw/zinc/86/82/48/346868248.db2.gz BEMWGXCDFVGBTQ-CYBMUJFWSA-N 0 3 285.395 2.557 20 30 CFEDHN CC1(C)CN(CCc2ccc(C#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000595492058 349641389 /nfs/dbraw/zinc/64/13/89/349641389.db2.gz ZULVXEQFCIECMY-DLBZAZTESA-N 0 3 284.403 2.990 20 30 CFEDHN C=CCC[C@@H](NCCS(=O)(=O)c1ccccc1)C1CC1 ZINC000269742720 190546248 /nfs/dbraw/zinc/54/62/48/190546248.db2.gz WGYOWMIAROUMSU-MRXNPFEDSA-N 0 3 293.432 2.795 20 30 CFEDHN CC[C@@H]1CN(CCc2ccc(C#N)cc2)[C@H](CC)CO1 ZINC000595558191 349658836 /nfs/dbraw/zinc/65/88/36/349658836.db2.gz MYVONJGTEIVSDK-IAGOWNOFSA-N 0 3 272.392 2.990 20 30 CFEDHN CC[C@@H](CC#N)NCC[C@H]1Sc2ccccc2NC1=O ZINC000595530265 349652337 /nfs/dbraw/zinc/65/23/37/349652337.db2.gz QMKBBFALVYZFLT-SMDDNHRTSA-N 0 3 289.404 2.771 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccccc2F)C1 ZINC000595612355 349676267 /nfs/dbraw/zinc/67/62/67/349676267.db2.gz USWGPNCLWQTWEC-CYBMUJFWSA-N 0 3 289.354 2.780 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2F)C1 ZINC000595612356 349676440 /nfs/dbraw/zinc/67/64/40/349676440.db2.gz USWGPNCLWQTWEC-ZDUSSCGKSA-N 0 3 289.354 2.780 20 30 CFEDHN CN(C)c1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595615299 349677271 /nfs/dbraw/zinc/67/72/71/349677271.db2.gz PSDVUQKNDRQGLG-CQSZACIVSA-N 0 3 257.381 2.878 20 30 CFEDHN C[C@@H]1CC[C@H](CNC(C)(C)c2cccc(C#N)c2)O1 ZINC000595638384 349685418 /nfs/dbraw/zinc/68/54/18/349685418.db2.gz CMAPAACTYKBQJR-IUODEOHRSA-N 0 3 258.365 2.950 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000595623192 349680554 /nfs/dbraw/zinc/68/05/54/349680554.db2.gz JLTPHGYLIRVUTI-HLLBOEOZSA-N 0 3 272.392 2.777 20 30 CFEDHN COC(=O)c1ccccc1CCN1CCC[C@@H](CC#N)C1 ZINC000595623616 349680809 /nfs/dbraw/zinc/68/08/09/349680809.db2.gz VMJBTPFGZHGXBB-AWEZNQCLSA-N 0 3 286.375 2.641 20 30 CFEDHN N#CC[C@@H]1CCCN(CCOCC2CCCC2)C1 ZINC000595622778 349680962 /nfs/dbraw/zinc/68/09/62/349680962.db2.gz CQZGBUZETZWMHQ-AWEZNQCLSA-N 0 3 250.386 2.819 20 30 CFEDHN CCc1cc(CCCN2CCC[C@@H](CC#N)C2)on1 ZINC000595622449 349681077 /nfs/dbraw/zinc/68/10/77/349681077.db2.gz ASVVIRYDLKWYGM-ZDUSSCGKSA-N 0 3 261.369 2.795 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)o1 ZINC001085125231 781921135 /nfs/dbraw/zinc/92/11/35/781921135.db2.gz GPXQWCMPEDBXFL-CHWSQXEVSA-N 0 3 296.798 2.971 20 30 CFEDHN CC[C@@H](Cc1ccccc1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000347047824 529541827 /nfs/dbraw/zinc/54/18/27/529541827.db2.gz APBBFMPFBHRSQL-INIZCTEOSA-N 0 3 299.418 2.502 20 30 CFEDHN Cc1cc(C#N)ccc1CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689485 349701785 /nfs/dbraw/zinc/70/17/85/349701785.db2.gz QJVWBTQWXMTQOG-CALCHBBNSA-N 0 3 270.376 2.725 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595741897 349720551 /nfs/dbraw/zinc/72/05/51/349720551.db2.gz FESOISSHJBESIM-JHJVBQTASA-N 0 3 258.365 2.568 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@](O)(C2CC2)C1 ZINC000595751494 349722920 /nfs/dbraw/zinc/72/29/20/349722920.db2.gz RJOWGGYRVKTOFX-SUMWQHHRSA-N 0 3 270.376 2.856 20 30 CFEDHN C[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1CCO ZINC000595706925 349712193 /nfs/dbraw/zinc/71/21/93/349712193.db2.gz YVGAHHSFWCXQNI-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCOC(C3CC3)(C3CC3)C2)C1 ZINC000595822578 349743717 /nfs/dbraw/zinc/74/37/17/349743717.db2.gz WSBLBSVGHNWLPV-DOMZBBRYSA-N 0 3 260.381 2.570 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000595830573 349744545 /nfs/dbraw/zinc/74/45/45/349744545.db2.gz FPCVJRMMRTUXET-ZBFHGGJFSA-N 0 3 297.402 2.564 20 30 CFEDHN CC(C)CC1(NCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000595831446 349745538 /nfs/dbraw/zinc/74/55/38/349745538.db2.gz OITAFSAHVYAQKQ-UHFFFAOYSA-N 0 3 271.364 2.665 20 30 CFEDHN CC(C)CC1(N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000595835046 349746680 /nfs/dbraw/zinc/74/66/80/349746680.db2.gz RHIYNHXNWPNSGP-DZGCQCFKSA-N 0 3 279.428 2.598 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC1(C)C ZINC000595911485 349767434 /nfs/dbraw/zinc/76/74/34/349767434.db2.gz XCFVMDUHJOLVHJ-TZMCWYRMSA-N 0 3 285.391 2.863 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N(CC)C[C@@H](C)C#N ZINC000595865554 349757209 /nfs/dbraw/zinc/75/72/09/349757209.db2.gz AVPHXUIXNCRVOG-SOUVJXGZSA-N 0 3 279.428 2.648 20 30 CFEDHN C[C@H](CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000596048302 349780898 /nfs/dbraw/zinc/78/08/98/349780898.db2.gz UDMWAHJSNMBWLW-CXAGYDPISA-N 0 3 299.418 2.891 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000595915204 349768699 /nfs/dbraw/zinc/76/86/99/349768699.db2.gz LNFLZOBBLGMJRL-YQQAZPJKSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](C(=O)NCC1(C#N)CCCCC1)[C@@H](N)c1ccccc1 ZINC000595942676 349771963 /nfs/dbraw/zinc/77/19/63/349771963.db2.gz GJUYLWTVLZFWGH-GDBMZVCRSA-N 0 3 299.418 2.913 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCCOCCF ZINC000596096687 349794097 /nfs/dbraw/zinc/79/40/97/349794097.db2.gz XEKRHXYUAOSYRC-INIZCTEOSA-N 0 3 276.355 2.901 20 30 CFEDHN CC[NH+](CC)CCCCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596096834 349794128 /nfs/dbraw/zinc/79/41/28/349794128.db2.gz CBSQVTYSBVRVAK-UHFFFAOYSA-N 0 3 286.832 2.624 20 30 CFEDHN COc1ccc(CC[C@H](C)NCC(C)(C)C#N)cc1O ZINC000617315606 352535180 /nfs/dbraw/zinc/53/51/80/352535180.db2.gz OYUMCDGBQGRHMM-LBPRGKRZSA-N 0 3 276.380 2.861 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442827836 529724505 /nfs/dbraw/zinc/72/45/05/529724505.db2.gz ORVFVCKGPBBVSE-IMJJTQAJSA-N 0 3 258.365 2.564 20 30 CFEDHN N#Cc1nc(N2CCC[C@@H]2CN2CCCC2)sc1Cl ZINC000596200998 349825723 /nfs/dbraw/zinc/82/57/23/349825723.db2.gz UVBFFINBJNMJAJ-SNVBAGLBSA-N 0 3 296.827 2.733 20 30 CFEDHN Cc1ccc(C#N)nc1N1CC(N(C)Cc2ccccc2)C1 ZINC000596230423 349834257 /nfs/dbraw/zinc/83/42/57/349834257.db2.gz AWEQEVLEPUKRSK-UHFFFAOYSA-N 0 3 292.386 2.582 20 30 CFEDHN C=CCc1cc(CN(C)C[C@H]2CCCO2)cc(OC)c1O ZINC000128028983 187346644 /nfs/dbraw/zinc/34/66/44/187346644.db2.gz UZQSUKMAFBTEIG-OAHLLOKOSA-N 0 3 291.391 2.740 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccoc1 ZINC001085133279 781923557 /nfs/dbraw/zinc/92/35/57/781923557.db2.gz PVWGFXFSDANIJZ-CHWSQXEVSA-N 0 3 282.771 2.663 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)C[C@@H]2CC)CC1 ZINC000074130035 346999031 /nfs/dbraw/zinc/99/90/31/346999031.db2.gz RLBSZWSNQRDRLG-ZBFHGGJFSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000596441711 349904377 /nfs/dbraw/zinc/90/43/77/349904377.db2.gz QPFKBMNXSOCHFW-CQSZACIVSA-N 0 3 286.379 2.553 20 30 CFEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000075022331 347048399 /nfs/dbraw/zinc/04/83/99/347048399.db2.gz INICAGGOVZDSSB-LSDHHAIUSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncs1 ZINC001085144397 781924759 /nfs/dbraw/zinc/92/47/59/781924759.db2.gz SYWLLBBUTXOZNX-GHMZBOCLSA-N 0 3 299.827 2.526 20 30 CFEDHN C=CCN1CCC(NC(=O)c2oc(SC)cc2C)CC1 ZINC000668369044 539430441 /nfs/dbraw/zinc/43/04/41/539430441.db2.gz NBZYSUIEMNGVMK-UHFFFAOYSA-N 0 3 294.420 2.690 20 30 CFEDHN CCCN1CC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000596516931 349927303 /nfs/dbraw/zinc/92/73/03/349927303.db2.gz JHYBABWJSXOIFI-NSHDSACASA-N 0 3 264.760 2.503 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](CC)[C@@H](O)C(F)F)c1 ZINC000295114586 199351534 /nfs/dbraw/zinc/35/15/34/199351534.db2.gz VPSFIGYYCRYPFE-UONOGXRCSA-N 0 3 285.334 2.746 20 30 CFEDHN O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CCCN1C1CCCC1 ZINC000328799517 539524534 /nfs/dbraw/zinc/52/45/34/539524534.db2.gz HHCWSACAALHOEZ-KFWWJZLASA-N 0 3 280.412 2.653 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccnn2CCCOC)C1 ZINC000668492432 539533385 /nfs/dbraw/zinc/53/33/85/539533385.db2.gz AKVOLKZVXRLSFD-OAHLLOKOSA-N 0 3 277.412 2.708 20 30 CFEDHN C[C@@H](N(C)CC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000027132176 346268083 /nfs/dbraw/zinc/26/80/83/346268083.db2.gz XBYGVDZSJRJGMO-GFCCVEGCSA-N 0 3 273.380 2.863 20 30 CFEDHN Cn1ncc2c1CC(C)(C)CN(CCC(C)(C)C#N)C2 ZINC000596598986 349952837 /nfs/dbraw/zinc/95/28/37/349952837.db2.gz PSDGJAXOFFRGCN-UHFFFAOYSA-N 0 3 274.412 2.744 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CNC1CC1 ZINC000037495951 346330011 /nfs/dbraw/zinc/33/00/11/346330011.db2.gz NYUDWKAUUBJHHQ-UHFFFAOYSA-N 0 3 284.812 2.668 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)cc2)nc(C)n1 ZINC000041574353 346353560 /nfs/dbraw/zinc/35/35/60/346353560.db2.gz IJWFKTSVUNZVIL-CYBMUJFWSA-N 0 3 269.279 2.723 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC1CCCCC1 ZINC000043999952 346388822 /nfs/dbraw/zinc/38/88/22/346388822.db2.gz YOUVPMJRMVXVND-WMLDXEAASA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000313491208 260298422 /nfs/dbraw/zinc/29/84/22/260298422.db2.gz XWZFUZFOTABNGS-NSHDSACASA-N 0 3 260.337 2.634 20 30 CFEDHN C=C(C)CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000046085902 346419656 /nfs/dbraw/zinc/41/96/56/346419656.db2.gz XAQOLWWKDWATQB-UHFFFAOYSA-N 0 3 255.365 2.646 20 30 CFEDHN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051063136 346498650 /nfs/dbraw/zinc/49/86/50/346498650.db2.gz KAEXLRWXPUHPEK-KRWDZBQOSA-N 0 3 299.418 2.687 20 30 CFEDHN CN(C)Cc1ccc(CNC(=O)C2(C#N)CCCCC2)cc1 ZINC000057420260 346628307 /nfs/dbraw/zinc/62/83/07/346628307.db2.gz YUFQCNWCENKEHD-UHFFFAOYSA-N 0 3 299.418 2.838 20 30 CFEDHN CCN1C[C@@H](CN(C)CCCCC#N)Oc2ccccc21 ZINC000057624409 346633257 /nfs/dbraw/zinc/63/32/57/346633257.db2.gz OJKYZYZLMFXTQV-OAHLLOKOSA-N 0 3 287.407 2.900 20 30 CFEDHN CCN1CCC[C@H](NC(=O)CNC(=O)C2CCCCC2)C1 ZINC000328923539 539549428 /nfs/dbraw/zinc/54/94/28/539549428.db2.gz UZHPFMVWJPXVQB-AWEZNQCLSA-N 0 3 295.427 2.964 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000064026363 346713974 /nfs/dbraw/zinc/71/39/74/346713974.db2.gz XPVPFJZWYYJCTL-HNNXBMFYSA-N 0 3 299.418 2.904 20 30 CFEDHN CN(CC1CCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000064020686 346714467 /nfs/dbraw/zinc/71/44/67/346714467.db2.gz CXWTYMQLYCTNGG-KRWDZBQOSA-N 0 3 297.402 2.786 20 30 CFEDHN C=CCN(CCCN1CCCC1=O)Cc1cccc(C#N)c1 ZINC000063299744 346699117 /nfs/dbraw/zinc/69/91/17/346699117.db2.gz KWJTUEFBJCWLPG-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000066406413 346758732 /nfs/dbraw/zinc/75/87/32/346758732.db2.gz ZFNLWPYFVNOKBN-HUUCEWRRSA-N 0 3 291.439 2.649 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@H](C)CCC[C@H]1C ZINC000066531735 346766806 /nfs/dbraw/zinc/76/68/06/346766806.db2.gz FONRAHTTWLWFSG-ZIAGYGMSSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2ccccc2)CC1 ZINC000066898325 346783868 /nfs/dbraw/zinc/78/38/68/346783868.db2.gz GYHSZALAFJVBRE-RDJZCZTQSA-N 0 3 286.419 2.947 20 30 CFEDHN N#Cc1cccc(CNCCN2Cc3ccccc3C2)c1 ZINC000067450230 346802475 /nfs/dbraw/zinc/80/24/75/346802475.db2.gz FVBIZTITHFGGLV-UHFFFAOYSA-N 0 3 277.371 2.664 20 30 CFEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000076110797 347121326 /nfs/dbraw/zinc/12/13/26/347121326.db2.gz KEBCKMLCXKUYHI-BETUJISGSA-N 0 3 253.349 2.899 20 30 CFEDHN C[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000076110987 347121662 /nfs/dbraw/zinc/12/16/62/347121662.db2.gz HFSGCNUODBMTFN-VXGBXAGGSA-N 0 3 282.347 2.696 20 30 CFEDHN CN(C)CCOc1ccc(CNc2ncccc2C#N)cc1 ZINC000076836307 347156927 /nfs/dbraw/zinc/15/69/27/347156927.db2.gz KEOPCULGQVQKBG-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2CCC)CC1 ZINC000077307286 347185384 /nfs/dbraw/zinc/18/53/84/347185384.db2.gz WVIIDYIUNJOAIR-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCOCCCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000079451156 347305084 /nfs/dbraw/zinc/30/50/84/347305084.db2.gz CLAORBHLCDLRMH-UHFFFAOYSA-N 0 3 276.380 2.670 20 30 CFEDHN CN(C)CCN(C)c1cc(C#N)c2cc(Cl)ccc2n1 ZINC000080685045 347374898 /nfs/dbraw/zinc/37/48/98/347374898.db2.gz FGEORJAALBVWEE-UHFFFAOYSA-N 0 3 288.782 2.758 20 30 CFEDHN O=C(C#Cc1ccccc1)N1CCCN(C2CCCC2)CC1 ZINC000081795653 347436658 /nfs/dbraw/zinc/43/66/58/347436658.db2.gz ACFOTIDSZYJHQX-UHFFFAOYSA-N 0 3 296.414 2.515 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(Cc2ccncc2)CC1 ZINC000089267646 347514774 /nfs/dbraw/zinc/51/47/74/347514774.db2.gz BQACIHIHYNBOHF-MRXNPFEDSA-N 0 3 273.424 2.944 20 30 CFEDHN Cc1ncc([C@H](C)NCCOc2ccc(C#N)cc2)c(C)n1 ZINC000090106792 347542383 /nfs/dbraw/zinc/54/23/83/347542383.db2.gz CLSVSROIMMFYFV-LBPRGKRZSA-N 0 3 296.374 2.695 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2NCCN(C)C1CC1 ZINC000091459925 347588069 /nfs/dbraw/zinc/58/80/69/347588069.db2.gz FDVYOILPKYZJIQ-UHFFFAOYSA-N 0 3 280.375 2.921 20 30 CFEDHN C=CCCC[C@@H](C)N1CCOC2(CCOCC2)C1 ZINC000091594624 347593732 /nfs/dbraw/zinc/59/37/32/347593732.db2.gz QHSZCHWZZIPWJG-CQSZACIVSA-N 0 3 253.386 2.613 20 30 CFEDHN CN(CCNc1cnccc1C#N)Cc1ccc(F)cc1 ZINC000091733178 347597366 /nfs/dbraw/zinc/59/73/66/347597366.db2.gz SZRSQTQDHAVKJN-UHFFFAOYSA-N 0 3 284.338 2.636 20 30 CFEDHN CCCN1CC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000092621871 347635142 /nfs/dbraw/zinc/63/51/42/347635142.db2.gz JDNRDKNLWLTOOP-VIFPVBQESA-N 0 3 284.816 2.812 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H]1C[C@H](C)O ZINC000093482613 347676193 /nfs/dbraw/zinc/67/61/93/347676193.db2.gz IRJUGSRTZCBFAN-HOCLYGCPSA-N 0 3 275.392 2.987 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000111693197 347756063 /nfs/dbraw/zinc/75/60/63/347756063.db2.gz NSNWAULSRWOCEQ-OAHLLOKOSA-N 0 3 298.430 2.858 20 30 CFEDHN CCc1nnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(C#N)c1CC ZINC000128644090 187381596 /nfs/dbraw/zinc/38/15/96/187381596.db2.gz DEUJURRXFVAITQ-VXGBXAGGSA-N 0 3 299.422 2.510 20 30 CFEDHN C=CCCCN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000135089157 347904524 /nfs/dbraw/zinc/90/45/24/347904524.db2.gz PQHXTLGRANBQNM-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCCN1C ZINC000139400902 347920202 /nfs/dbraw/zinc/92/02/02/347920202.db2.gz HYUMDTFLWKEDDD-CYBMUJFWSA-N 0 3 293.436 2.540 20 30 CFEDHN C=CCN(CCOC[C@@H]1CCCO1)Cc1ccccc1 ZINC000152147585 347967172 /nfs/dbraw/zinc/96/71/72/347967172.db2.gz KERSPRNJSITVDU-KRWDZBQOSA-N 0 3 275.392 2.870 20 30 CFEDHN C=CCN(CCOC[C@H]1CCCO1)Cc1ccccc1 ZINC000152147685 347967480 /nfs/dbraw/zinc/96/74/80/347967480.db2.gz KERSPRNJSITVDU-QGZVFWFLSA-N 0 3 275.392 2.870 20 30 CFEDHN C[C@H](N[C@@H](C)C1CCC1)C(=O)Nc1ccccc1C#N ZINC000157753421 348002409 /nfs/dbraw/zinc/00/24/09/348002409.db2.gz AMCKLCHRQXEHQH-RYUDHWBXSA-N 0 3 271.364 2.663 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(c2ccccc2)CC1 ZINC000184082141 348127249 /nfs/dbraw/zinc/12/72/49/348127249.db2.gz KEJRFCDMEICCPR-AWEZNQCLSA-N 0 3 257.381 2.937 20 30 CFEDHN COc1ccc([C@@H](CCO)NCc2ccc(C#N)cc2)cc1 ZINC000128741735 187387417 /nfs/dbraw/zinc/38/74/17/187387417.db2.gz FEAFNYBZHAJGBP-GOSISDBHSA-N 0 3 296.370 2.780 20 30 CFEDHN C[C@@H](NCc1ccc(CO)cc1)c1cccc(C#N)c1 ZINC000226560441 348183887 /nfs/dbraw/zinc/18/38/87/348183887.db2.gz YXNGBOJOSLSUGD-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN N#Cc1ccccc1CN1CCc2ccccc2[C@@H]1CN ZINC000227723100 348190351 /nfs/dbraw/zinc/19/03/51/348190351.db2.gz MIHHXMSVWSPLJR-SFHVURJKSA-N 0 3 277.371 2.616 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC[C@H](C)C#N)C1 ZINC000248567493 348274645 /nfs/dbraw/zinc/27/46/45/348274645.db2.gz BZBAUFMUPTVFCH-IIAWOOMASA-N 0 3 257.381 2.571 20 30 CFEDHN COC(=O)c1cccc(CN2CCC(CC#N)CC2)c1 ZINC000260632008 348310711 /nfs/dbraw/zinc/31/07/11/348310711.db2.gz ULJLXGJYZVOSQN-UHFFFAOYSA-N 0 3 272.348 2.599 20 30 CFEDHN COc1ccc2c(c1)OC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C2 ZINC000274228515 348334720 /nfs/dbraw/zinc/33/47/20/348334720.db2.gz RZFJVIJVJHKZFB-BPLDGKMQSA-N 0 3 286.375 2.671 20 30 CFEDHN Cc1cccc(CCNCc2ccc(C#N)s2)n1 ZINC000280599445 348341335 /nfs/dbraw/zinc/34/13/35/348341335.db2.gz NXEYOZMVXNUYFJ-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccn1 ZINC000319290606 348434291 /nfs/dbraw/zinc/43/42/91/348434291.db2.gz NLRFUHILVQSATA-RCCFBDPRSA-N 0 3 299.418 2.859 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)[C@@H](C)CC#N)c1ccsc1 ZINC000596793373 349990327 /nfs/dbraw/zinc/99/03/27/349990327.db2.gz HIMLNINHDCGAKQ-JSGCOSHPSA-N 0 3 293.436 2.797 20 30 CFEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)C(C)C#N ZINC000335999105 348450405 /nfs/dbraw/zinc/45/04/05/348450405.db2.gz MCBGKMOPCPLUAR-ABAIWWIYSA-N 0 3 272.348 2.691 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000335999091 348450445 /nfs/dbraw/zinc/45/04/45/348450445.db2.gz OFRKNQLPGPWQAX-RKDXNWHRSA-N 0 3 252.264 2.644 20 30 CFEDHN Cc1[nH]c2c(cc(C)cc2CNC(=O)C(C)C#N)c1C ZINC000335999119 348450497 /nfs/dbraw/zinc/45/04/97/348450497.db2.gz PEEVJIRUWVJUAV-SNVBAGLBSA-N 0 3 269.348 2.869 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)CC(C)(C)C ZINC000355412820 348502766 /nfs/dbraw/zinc/50/27/66/348502766.db2.gz UFGDQRORBIZEQK-ZIAGYGMSSA-N 0 3 279.428 2.648 20 30 CFEDHN COC(=O)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000397684539 348563654 /nfs/dbraw/zinc/56/36/54/348563654.db2.gz MWWAZLYDNKAKAW-ZDUSSCGKSA-N 0 3 272.348 2.599 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000398035306 348565723 /nfs/dbraw/zinc/56/57/23/348565723.db2.gz SKRDIOBAVMCXFD-AEFFLSMTSA-N 0 3 299.418 2.707 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398035309 348566927 /nfs/dbraw/zinc/56/69/27/348566927.db2.gz SKRDIOBAVMCXFD-FUHWJXTLSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)CCN(C)c1ccncc1 ZINC000543713001 348653205 /nfs/dbraw/zinc/65/32/05/348653205.db2.gz XKHHBQMLWNQJBI-CQSZACIVSA-N 0 3 275.396 2.769 20 30 CFEDHN C=CCOCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000559143409 348657066 /nfs/dbraw/zinc/65/70/66/348657066.db2.gz WZVYNVUYSZKSAC-MRXNPFEDSA-N 0 3 260.381 2.766 20 30 CFEDHN CC(C)C[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)CCO1 ZINC000567710278 348663957 /nfs/dbraw/zinc/66/39/57/348663957.db2.gz HXKQQULGILWRPS-SOUVJXGZSA-N 0 3 263.385 2.613 20 30 CFEDHN C=CCCC[C@@H](C)N1CC[S@](=O)C(C)(C)CC1 ZINC000451751665 348622462 /nfs/dbraw/zinc/62/24/62/348622462.db2.gz CHWDOJJJZUSVBK-DYVFJYSZSA-N 0 3 257.443 2.964 20 30 CFEDHN N#CCCCC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000589720622 348853867 /nfs/dbraw/zinc/85/38/67/348853867.db2.gz NXXICRNPJSLEOY-UHFFFAOYSA-N 0 3 291.439 2.843 20 30 CFEDHN C[C@@H](NCc1ccnc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000590024795 348869588 /nfs/dbraw/zinc/86/95/88/348869588.db2.gz NERCUHOPYBHXPS-BZNIZROVSA-N 0 3 299.399 2.807 20 30 CFEDHN C[C@H]1CN(C(=O)CCCCCC#N)CCN(C2CCC2)C1 ZINC000590048303 348870736 /nfs/dbraw/zinc/87/07/36/348870736.db2.gz XILABDKJYCNEGP-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@H](NCC(=O)NC1(C#N)CCC1)c1cccc(C2CC2)c1 ZINC000590745416 348941163 /nfs/dbraw/zinc/94/11/63/348941163.db2.gz GTCNRVWUBGTYFU-ZDUSSCGKSA-N 0 3 297.402 2.777 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000590751509 348942068 /nfs/dbraw/zinc/94/20/68/348942068.db2.gz DKBUTOOWNJWRDE-DFBGVHRSSA-N 0 3 272.348 2.551 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000590757353 348943523 /nfs/dbraw/zinc/94/35/23/348943523.db2.gz RIPIDMIXYVQOEJ-BBRMVZONSA-N 0 3 258.365 2.724 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1C ZINC000590761501 348944762 /nfs/dbraw/zinc/94/47/62/348944762.db2.gz SXKWXXYBUDGHFT-CVEARBPZSA-N 0 3 286.375 2.688 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)cc1C ZINC000590759596 348945109 /nfs/dbraw/zinc/94/51/09/348945109.db2.gz PMDLNZGMBPXYMJ-QGZVFWFLSA-N 0 3 271.408 2.783 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2c2nc(C#N)c(Cl)s2)C1 ZINC000590583562 348911487 /nfs/dbraw/zinc/91/14/87/348911487.db2.gz YUXVYHIYGRYHBE-ONGXEEELSA-N 0 3 296.827 2.589 20 30 CFEDHN C[C@@H](CCC#N)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000591016783 348978288 /nfs/dbraw/zinc/97/82/88/348978288.db2.gz APHXQEUVYOMFET-ZDUSSCGKSA-N 0 3 285.391 2.703 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000591026508 348980442 /nfs/dbraw/zinc/98/04/42/348980442.db2.gz CVMHOBBKYHYYFE-WFASDCNBSA-N 0 3 262.328 2.971 20 30 CFEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000591056281 348982958 /nfs/dbraw/zinc/98/29/58/348982958.db2.gz TXQHJKLEJAGSKM-QGZVFWFLSA-N 0 3 286.375 2.642 20 30 CFEDHN CC1(C)COC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000590780041 348948897 /nfs/dbraw/zinc/94/88/97/348948897.db2.gz ZDPSTBLTEXNXNU-JKSUJKDBSA-N 0 3 270.376 2.950 20 30 CFEDHN N#CC1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CCC1 ZINC000591323001 349009269 /nfs/dbraw/zinc/00/92/69/349009269.db2.gz SHJFBLVOPZIYEL-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000591636214 349036474 /nfs/dbraw/zinc/03/64/74/349036474.db2.gz MMFYHXLYIQFAJK-OAHLLOKOSA-N 0 3 291.439 2.971 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CC[C@H](Oc3ccccc3)C2)C1 ZINC000592136409 349089030 /nfs/dbraw/zinc/08/90/30/349089030.db2.gz SXEWHFXOEXBJKU-DZKIICNBSA-N 0 3 256.349 2.832 20 30 CFEDHN C[C@@H](CCSc1ccccc1)N1CC[C@@](O)(CC#N)C1 ZINC000592151473 349091168 /nfs/dbraw/zinc/09/11/68/349091168.db2.gz MGRPSHYCUWPDQO-HOCLYGCPSA-N 0 3 290.432 2.908 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157211 349093475 /nfs/dbraw/zinc/09/34/75/349093475.db2.gz OSINWSJFZGLFBP-AWEZNQCLSA-N 0 3 297.439 2.757 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000592199076 349098019 /nfs/dbraw/zinc/09/80/19/349098019.db2.gz WELZQSJPAROAST-GOEBONIOSA-N 0 3 291.439 2.649 20 30 CFEDHN CC[C@@H](C)C[C@H](CO)NCc1ccc(C#N)s1 ZINC000592374437 349111312 /nfs/dbraw/zinc/11/13/12/349111312.db2.gz GVHJLYZIVNGHDG-GHMZBOCLSA-N 0 3 252.383 2.506 20 30 CFEDHN Cc1oc2ccccc2c1CN1CC[C@](O)(CC#N)C1 ZINC000592523126 349132338 /nfs/dbraw/zinc/13/23/38/349132338.db2.gz VYVGSILTEQMFAS-MRXNPFEDSA-N 0 3 270.332 2.592 20 30 CFEDHN N#CC[C@@]1(O)CCN(CCC2CCCCCC2)C1 ZINC000592523185 349132435 /nfs/dbraw/zinc/13/24/35/349132435.db2.gz WZSLPJRWUZZGRO-OAHLLOKOSA-N 0 3 250.386 2.697 20 30 CFEDHN CCCC[C@@H](CC)CCN1CC[C@@](O)(CC#N)C1 ZINC000592522140 349132527 /nfs/dbraw/zinc/13/25/27/349132527.db2.gz IICFMMOKYVYLHP-CABCVRRESA-N 0 3 252.402 2.943 20 30 CFEDHN CC[C@@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592523315 349133932 /nfs/dbraw/zinc/13/39/32/349133932.db2.gz YFBVOFRYQZEZFA-GOEBONIOSA-N 0 3 258.365 2.531 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)o1)C1(CO)CC=CC1 ZINC000592531327 349136291 /nfs/dbraw/zinc/13/62/91/349136291.db2.gz YRQFXYQDVQISSB-HNNXBMFYSA-N 0 3 274.364 2.594 20 30 CFEDHN C[C@@H]1SCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000592904849 349176531 /nfs/dbraw/zinc/17/65/31/349176531.db2.gz SZTRQXGDCBTXLO-NWANDNLSSA-N 0 3 288.416 2.769 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592936531 349178285 /nfs/dbraw/zinc/17/82/85/349178285.db2.gz RMIMEEALTRTKPA-JOYOIKCWSA-N 0 3 296.729 2.539 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000593024973 349189474 /nfs/dbraw/zinc/18/94/74/349189474.db2.gz MHAUZIFILIOXPG-OCCSQVGLSA-N 0 3 271.320 2.841 20 30 CFEDHN Cc1ccccc1C1(NCC(=O)NC2(C#N)CCC2)CCC1 ZINC000593038824 349192442 /nfs/dbraw/zinc/19/24/42/349192442.db2.gz ITLIAILSJBEKEK-UHFFFAOYSA-N 0 3 297.402 2.526 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000593640379 349303124 /nfs/dbraw/zinc/30/31/24/349303124.db2.gz FVUYKKYIMZOORX-IIAWOOMASA-N 0 3 287.407 2.652 20 30 CFEDHN CC[C@H](C#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000593452017 349274077 /nfs/dbraw/zinc/27/40/77/349274077.db2.gz XHBJRWBZBSFNML-UONOGXRCSA-N 0 3 287.407 2.782 20 30 CFEDHN CC[C@H](C#N)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000593484543 349280845 /nfs/dbraw/zinc/28/08/45/349280845.db2.gz PPDLCWTWYXMERF-OAHLLOKOSA-N 0 3 285.391 2.665 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000593484541 349281286 /nfs/dbraw/zinc/28/12/86/349281286.db2.gz PPDLCWTWYXMERF-HNNXBMFYSA-N 0 3 285.391 2.665 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593814620 349329226 /nfs/dbraw/zinc/32/92/26/349329226.db2.gz JUSACBRMTFMXRF-JOYOIKCWSA-N 0 3 276.311 2.704 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1CC=CC1 ZINC000593854747 349331390 /nfs/dbraw/zinc/33/13/90/349331390.db2.gz DCNFOBIXHJVOKG-AWEZNQCLSA-N 0 3 254.333 2.594 20 30 CFEDHN CC(C)OCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000593932536 349335386 /nfs/dbraw/zinc/33/53/86/349335386.db2.gz MGGKWNUFCKQULL-UHFFFAOYSA-N 0 3 287.407 2.860 20 30 CFEDHN N#CCCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000593979196 349344318 /nfs/dbraw/zinc/34/43/18/349344318.db2.gz SSEWTDUZPMMWGY-KRWDZBQOSA-N 0 3 299.418 2.851 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)s2)CCN(C2CCC2)C1 ZINC000593992586 349347686 /nfs/dbraw/zinc/34/76/86/349347686.db2.gz UQXVYLCLVBCXPT-ZDUSSCGKSA-N 0 3 289.448 2.926 20 30 CFEDHN C[C@@H](COCC1CC1)NCc1ccc(C#N)s1 ZINC000593682172 349309405 /nfs/dbraw/zinc/30/94/05/349309405.db2.gz PMKCZKOCNGGGEC-JTQLQIEISA-N 0 3 250.367 2.524 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000593684573 349309472 /nfs/dbraw/zinc/30/94/72/349309472.db2.gz CYZZFDBMLAGNBB-RISCZKNCSA-N 0 3 293.798 2.609 20 30 CFEDHN CC[C@H](C#N)C(=O)N(CCN1CCCCCC1)C(C)C ZINC000593708441 349313157 /nfs/dbraw/zinc/31/31/57/349313157.db2.gz VUKYBGQUPLDJSQ-OAHLLOKOSA-N 0 3 279.428 2.649 20 30 CFEDHN N#CC1(CNC(=O)[C@@H]2CCCN2C2CCCC2)CCCC1 ZINC000593776313 349324361 /nfs/dbraw/zinc/32/43/61/349324361.db2.gz VNMVMRQBGSOBFL-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)[C@](C)(CO)C2)cc1 ZINC000668738510 539739437 /nfs/dbraw/zinc/73/94/37/539739437.db2.gz FDAPWRIXIGYBLX-YOEHRIQHSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)cc1 ZINC000668738509 539739594 /nfs/dbraw/zinc/73/95/94/539739594.db2.gz FDAPWRIXIGYBLX-WMLDXEAASA-N 0 3 275.392 2.702 20 30 CFEDHN CC[C@H](NCc1ccccc1C#N)[C@H]1CCCCO1 ZINC000594040159 349359772 /nfs/dbraw/zinc/35/97/72/349359772.db2.gz DSDCYZLNFIYIFG-JKSUJKDBSA-N 0 3 258.365 2.996 20 30 CFEDHN CC(C)OC(=O)C[C@H](NCC#Cc1ccccc1)C(C)C ZINC000594042864 349361318 /nfs/dbraw/zinc/36/13/18/349361318.db2.gz HQTGLLYTAAFGQR-KRWDZBQOSA-N 0 3 287.403 2.994 20 30 CFEDHN C[C@]1(NC(=O)CCCCC#N)CCN(Cc2ccccc2)C1 ZINC000594057691 349366536 /nfs/dbraw/zinc/36/65/36/349366536.db2.gz LFWHOODBJKWLAW-SFHVURJKSA-N 0 3 299.418 2.851 20 30 CFEDHN N#Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594059053 349367128 /nfs/dbraw/zinc/36/71/28/349367128.db2.gz ONDFKIQSEYBMPH-JKSUJKDBSA-N 0 3 298.390 2.697 20 30 CFEDHN CC(C)CC[C@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594443571 349423639 /nfs/dbraw/zinc/42/36/39/349423639.db2.gz RPPXXWBHIOTDEB-HUUCEWRRSA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](N)CCCCC#N ZINC000594444430 349423875 /nfs/dbraw/zinc/42/38/75/349423875.db2.gz LXMXUQWXMQPRQS-OLZOCXBDSA-N 0 3 267.417 2.729 20 30 CFEDHN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594445260 349424337 /nfs/dbraw/zinc/42/43/37/349424337.db2.gz CDMGBOVCJLQCTO-MJBXVCDLSA-N 0 3 297.468 2.530 20 30 CFEDHN CC(C)[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594447849 349424683 /nfs/dbraw/zinc/42/46/83/349424683.db2.gz VXVNHVFPOTWYRD-CABCVRRESA-N 0 3 279.428 2.682 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000594457294 349426307 /nfs/dbraw/zinc/42/63/07/349426307.db2.gz YWDYSHIRERGQLA-LSDHHAIUSA-N 0 3 277.412 2.579 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1F ZINC000594452743 349426430 /nfs/dbraw/zinc/42/64/30/349426430.db2.gz ITXDYXRCLUAPOV-CABCVRRESA-N 0 3 291.370 2.804 20 30 CFEDHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000597044017 350020652 /nfs/dbraw/zinc/02/06/52/350020652.db2.gz SILBMKPIRONODF-XZJROXQQSA-N 0 3 256.349 2.776 20 30 CFEDHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cccc(C#N)c1 ZINC000597061049 350023070 /nfs/dbraw/zinc/02/30/70/350023070.db2.gz IXAHGVSLXHXKBI-IUIKQTSFSA-N 0 3 256.349 2.776 20 30 CFEDHN N#CC1(CC(=O)N2CC[C@H](N3CCCC3)C2)CCCCC1 ZINC000597086050 350028315 /nfs/dbraw/zinc/02/83/15/350028315.db2.gz MEMJIRXCBLRYLW-HNNXBMFYSA-N 0 3 289.423 2.547 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597090006 350029203 /nfs/dbraw/zinc/02/92/03/350029203.db2.gz ZNBQIJGXKBHPKM-LSDHHAIUSA-N 0 3 283.419 2.766 20 30 CFEDHN CN(C)C[C@H](NC(=O)CCCCC#N)c1ccc(F)cc1 ZINC000594361266 349411254 /nfs/dbraw/zinc/41/12/54/349411254.db2.gz QGIWWXCTSJNNOQ-HNNXBMFYSA-N 0 3 291.370 2.629 20 30 CFEDHN CCN(Cc1cccs1)C(=O)[C@@H](N)CCCCC#N ZINC000594425393 349416728 /nfs/dbraw/zinc/41/67/28/349416728.db2.gz IBESBGIZGVRBPQ-ZDUSSCGKSA-N 0 3 279.409 2.508 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1nc2ccccc2s1 ZINC000594424589 349417296 /nfs/dbraw/zinc/41/72/96/349417296.db2.gz GKNQWQRIIWXLLY-SNVBAGLBSA-N 0 3 288.376 2.646 20 30 CFEDHN Cc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1C ZINC000594425680 349417818 /nfs/dbraw/zinc/41/78/18/349417818.db2.gz LXBORVBORULKIO-ZDUSSCGKSA-N 0 3 259.353 2.653 20 30 CFEDHN C[C@@H](c1cccs1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594428460 349418688 /nfs/dbraw/zinc/41/86/88/349418688.db2.gz METLRVGFPHRFJB-RYUDHWBXSA-N 0 3 279.409 2.679 20 30 CFEDHN C[C@H](c1ccccc1F)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594427327 349418847 /nfs/dbraw/zinc/41/88/47/349418847.db2.gz IJHOQRFHWNJDPK-IUODEOHRSA-N 0 3 291.370 2.756 20 30 CFEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@H]1CCCc2ccccc21 ZINC000594427570 349419058 /nfs/dbraw/zinc/41/90/58/349419058.db2.gz VJOFWWBTEZHBNS-SJORKVTESA-N 0 3 299.418 2.934 20 30 CFEDHN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCCC#N ZINC000594432533 349420473 /nfs/dbraw/zinc/42/04/73/349420473.db2.gz CLWUPWSISCQPEL-DJIMGWMZSA-N 0 3 299.418 2.802 20 30 CFEDHN CCS[C@H]1CCCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594434064 349421544 /nfs/dbraw/zinc/42/15/44/349421544.db2.gz JXUGVSJQAYDWGV-UONOGXRCSA-N 0 3 297.468 2.532 20 30 CFEDHN CSc1ccc(N(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594434629 349421778 /nfs/dbraw/zinc/42/17/78/349421778.db2.gz QLXNZPNELNOOBM-CQSZACIVSA-N 0 3 291.420 2.783 20 30 CFEDHN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](N)CCCCC#N)CC2 ZINC000594434046 349421828 /nfs/dbraw/zinc/42/18/28/349421828.db2.gz JSNZPLFOSDYWCB-HZPDHXFCSA-N 0 3 285.391 2.510 20 30 CFEDHN CC1(C)C[C@@H](NC(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594436497 349421832 /nfs/dbraw/zinc/42/18/32/349421832.db2.gz IYBCUUZOZBZGJT-HZPDHXFCSA-N 0 3 299.418 2.936 20 30 CFEDHN COC(=O)c1oc(CNCC2CCC(C#N)CC2)cc1C ZINC000597130867 350035619 /nfs/dbraw/zinc/03/56/19/350035619.db2.gz HXKVMRCOAFVBNR-UHFFFAOYSA-N 0 3 290.363 2.794 20 30 CFEDHN C[C@@H](O)CN(Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597159880 350042117 /nfs/dbraw/zinc/04/21/17/350042117.db2.gz SLZCNUHJSSNVSJ-CYBMUJFWSA-N 0 3 270.376 2.587 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000597174610 350044030 /nfs/dbraw/zinc/04/40/30/350044030.db2.gz SCDLGTHRFCBMPO-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000597174610 350044036 /nfs/dbraw/zinc/04/40/36/350044036.db2.gz SCDLGTHRFCBMPO-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@](C)(C2CC2)C1 ZINC000597178265 350045685 /nfs/dbraw/zinc/04/56/85/350045685.db2.gz BVDFXQRPFGWXLX-HNNXBMFYSA-N 0 3 250.386 2.817 20 30 CFEDHN CN(C)Cc1ccc(NCc2nc(C#N)cs2)c(F)c1 ZINC000414497028 233271504 /nfs/dbraw/zinc/27/15/04/233271504.db2.gz JNZNHHNSTUOVLI-UHFFFAOYSA-N 0 3 290.367 2.828 20 30 CFEDHN COC1([C@H](C)NCc2ccc(C#N)s2)CCC1 ZINC000414531273 233284844 /nfs/dbraw/zinc/28/48/44/233284844.db2.gz YSLXEAKBCGCBLG-JTQLQIEISA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000597628764 350119282 /nfs/dbraw/zinc/11/92/82/350119282.db2.gz HMBAVSNNFMTYKV-RISCZKNCSA-N 0 3 293.798 2.609 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCc2cnn(C)c2C)cc1 ZINC000090888179 180054226 /nfs/dbraw/zinc/05/42/26/180054226.db2.gz HXODJDYYXWFFMI-ZDUSSCGKSA-N 0 3 283.375 2.591 20 30 CFEDHN C[C@H](CC#N)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000597655938 350121006 /nfs/dbraw/zinc/12/10/06/350121006.db2.gz HHVLDIWDRHGNTA-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000597849783 350142158 /nfs/dbraw/zinc/14/21/58/350142158.db2.gz AGMYIWMJVCDIMB-DZGCQCFKSA-N 0 3 286.375 2.556 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000597849785 350142374 /nfs/dbraw/zinc/14/23/74/350142374.db2.gz AGMYIWMJVCDIMB-UKRRQHHQSA-N 0 3 286.375 2.556 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC12CCOCC2 ZINC000597946169 350160417 /nfs/dbraw/zinc/16/04/17/350160417.db2.gz ZUNXRHQEWZJQBT-MRXNPFEDSA-N 0 3 298.386 2.540 20 30 CFEDHN CC[C@H](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000597977949 350170369 /nfs/dbraw/zinc/17/03/69/350170369.db2.gz MGBDTCZNOOZTMJ-BBRMVZONSA-N 0 3 283.375 2.793 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc(CC#N)c1 ZINC000598260324 350225297 /nfs/dbraw/zinc/22/52/97/350225297.db2.gz APLIPQAOOHUKMB-OAHLLOKOSA-N 0 3 299.418 2.603 20 30 CFEDHN CC[C@H](C(=O)NCC1(C#N)CCCCC1)N(CC)CC ZINC000598303766 350230036 /nfs/dbraw/zinc/23/00/36/350230036.db2.gz DEOVPDOVXKSWSL-CQSZACIVSA-N 0 3 279.428 2.697 20 30 CFEDHN Cc1cc([C@@H]2CCN(C(=O)C(C)C#N)C2)c(O)cc1Cl ZINC000598328844 350236247 /nfs/dbraw/zinc/23/62/47/350236247.db2.gz HSQDTKVRWTVPIQ-WDEREUQCSA-N 0 3 292.766 2.830 20 30 CFEDHN Cc1cc([C@H]2CCN(C(=O)C(C)C#N)C2)c(O)cc1Cl ZINC000598328840 350236275 /nfs/dbraw/zinc/23/62/75/350236275.db2.gz HSQDTKVRWTVPIQ-MNOVXSKESA-N 0 3 292.766 2.830 20 30 CFEDHN CC(C)[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CCN1 ZINC000598574569 350284908 /nfs/dbraw/zinc/28/49/08/350284908.db2.gz RUGYHCJQTGWARR-IAGOWNOFSA-N 0 3 299.418 2.530 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000598426134 350267562 /nfs/dbraw/zinc/26/75/62/350267562.db2.gz YCSUFLWHKLKJKB-CABZTGNLSA-N 0 3 293.164 2.882 20 30 CFEDHN Cc1ccccc1C1(NC[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598624926 350296341 /nfs/dbraw/zinc/29/63/41/350296341.db2.gz LTZQHAGUAGFNOC-AWEZNQCLSA-N 0 3 272.392 2.875 20 30 CFEDHN CC1(C)CC[C@H](CO)N(Cc2ccc(C#N)cc2)C1 ZINC000598646342 350301651 /nfs/dbraw/zinc/30/16/51/350301651.db2.gz FMSGYQPJBHGXDE-OAHLLOKOSA-N 0 3 258.365 2.541 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccccc1OC(F)F ZINC000598701530 350312537 /nfs/dbraw/zinc/31/25/37/350312537.db2.gz WNGXBUGYOVBVQN-GFCCVEGCSA-N 0 3 298.333 2.678 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC2(C1)CCCCC2 ZINC000598701460 350312681 /nfs/dbraw/zinc/31/26/81/350312681.db2.gz KTVMVTWIHCWOOT-ZDUSSCGKSA-N 0 3 250.386 2.553 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccccc1OC(F)F ZINC000598701531 350312880 /nfs/dbraw/zinc/31/28/80/350312880.db2.gz WNGXBUGYOVBVQN-LBPRGKRZSA-N 0 3 298.333 2.678 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715859 350316613 /nfs/dbraw/zinc/31/66/13/350316613.db2.gz UHHQVEPRVBBYCE-NEPJUHHUSA-N 0 3 286.379 2.514 20 30 CFEDHN CCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1F ZINC000598721218 350317913 /nfs/dbraw/zinc/31/79/13/350317913.db2.gz UJNYFLDGIDBVLP-CYBMUJFWSA-N 0 3 294.370 2.615 20 30 CFEDHN COCC#CCN1CCCC[C@@H]1Cc1ccccc1 ZINC000677818533 539792689 /nfs/dbraw/zinc/79/26/89/539792689.db2.gz QVPJWJXXLQTCPN-QGZVFWFLSA-N 0 3 257.377 2.733 20 30 CFEDHN C[C@H](c1ccco1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598586598 350286529 /nfs/dbraw/zinc/28/65/29/350286529.db2.gz ISSVEXYSVXVFJT-VXGBXAGGSA-N 0 3 250.342 2.573 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](c2ccccc2F)C1 ZINC000598590393 350287129 /nfs/dbraw/zinc/28/71/29/350287129.db2.gz XQZYLZCHKODZLT-UONOGXRCSA-N 0 3 290.382 2.916 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000598591961 350287860 /nfs/dbraw/zinc/28/78/60/350287860.db2.gz CSKKWCOZMIGUCG-FVQBIDKESA-N 0 3 272.392 2.980 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccco1 ZINC000598591823 350288031 /nfs/dbraw/zinc/28/80/31/350288031.db2.gz CMMPFPWQPHSIFT-OLZOCXBDSA-N 0 3 262.353 2.717 20 30 CFEDHN CC(C)(C)OC1CCN(C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598592669 350288377 /nfs/dbraw/zinc/28/83/77/350288377.db2.gz LJBJJTFJVLZMIQ-CYBMUJFWSA-N 0 3 282.428 2.567 20 30 CFEDHN CC[C@H](c1ccncc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598598684 350290266 /nfs/dbraw/zinc/29/02/66/350290266.db2.gz IOGFMWBKJQDAFM-LSDHHAIUSA-N 0 3 275.396 2.765 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)Cc2ccccc2O1 ZINC000598618943 350294665 /nfs/dbraw/zinc/29/46/65/350294665.db2.gz SPDVKXDDEWISKR-HIFRSBDPSA-N 0 3 288.391 2.570 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](c2ccccn2)C1 ZINC000598618817 350294716 /nfs/dbraw/zinc/29/47/16/350294716.db2.gz RGGXMCDTJOGHTP-GJZGRUSLSA-N 0 3 287.407 2.562 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3CO2)c(F)c1 ZINC000598989604 350355041 /nfs/dbraw/zinc/35/50/41/350355041.db2.gz NIZYPBCAAZLYIM-KRWDZBQOSA-N 0 3 296.345 2.928 20 30 CFEDHN Cc1ccc(C(C)(C)CNCc2ccc(C#N)o2)nc1 ZINC000598991915 350355684 /nfs/dbraw/zinc/35/56/84/350355684.db2.gz UWDUKZBDBKZTPS-UHFFFAOYSA-N 0 3 269.348 2.922 20 30 CFEDHN N#Cc1cccc(OC2CCN(CC3=CCCOC3)CC2)c1 ZINC000092034403 180309999 /nfs/dbraw/zinc/30/99/99/180309999.db2.gz UNSPXKMGJKFDKT-UHFFFAOYSA-N 0 3 298.386 2.748 20 30 CFEDHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000599085113 350373331 /nfs/dbraw/zinc/37/33/31/350373331.db2.gz MOKTWRLEJIXRDY-JMPLFQLZSA-N 0 3 274.339 2.915 20 30 CFEDHN C[C@H](NCCN(C)CC(F)F)c1ccc(C#N)cc1F ZINC000599095085 350375185 /nfs/dbraw/zinc/37/51/85/350375185.db2.gz QFDRRVFOTHRTAE-JTQLQIEISA-N 0 3 285.313 2.545 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1C#N ZINC000599423667 350433606 /nfs/dbraw/zinc/43/36/06/350433606.db2.gz FYMPEDREUBMIMX-MRXNPFEDSA-N 0 3 266.348 2.510 20 30 CFEDHN Cc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1C#N ZINC000599433613 350436410 /nfs/dbraw/zinc/43/64/10/350436410.db2.gz JAHINTNGTJNODU-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN Cc1ccc(CN2CCN(C3CCC3)CC2)cc1C#N ZINC000599293251 350408189 /nfs/dbraw/zinc/40/81/89/350408189.db2.gz QCDIYSOCZDYTQG-UHFFFAOYSA-N 0 3 269.392 2.537 20 30 CFEDHN Cc1ccc(CN2CCC3(C2)CCOCC3)cc1C#N ZINC000599303907 350410174 /nfs/dbraw/zinc/41/01/74/350410174.db2.gz HJOFMUWISHEADH-UHFFFAOYSA-N 0 3 270.376 2.869 20 30 CFEDHN Cc1ccc(CN2CCN3CCCC[C@H]3C2)cc1C#N ZINC000599329715 350415525 /nfs/dbraw/zinc/41/55/25/350415525.db2.gz PFTHAAJMFZWHGI-KRWDZBQOSA-N 0 3 269.392 2.537 20 30 CFEDHN COc1ccc(F)cc1[C@@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599350866 350420798 /nfs/dbraw/zinc/42/07/98/350420798.db2.gz VHXXWVFHJCQYBL-DGCLKSJQSA-N 0 3 292.354 2.540 20 30 CFEDHN Cc1ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1C#N ZINC000599358220 350422681 /nfs/dbraw/zinc/42/26/81/350422681.db2.gz ATSRHAYIRKWABI-IAGOWNOFSA-N 0 3 270.376 2.914 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599360879 350423303 /nfs/dbraw/zinc/42/33/03/350423303.db2.gz BUNJTMLKBJLERK-QWHCGFSZSA-N 0 3 274.364 2.544 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000599393848 350431099 /nfs/dbraw/zinc/43/10/99/350431099.db2.gz SPWLRUATWQYKLH-PBHICJAKSA-N 0 3 272.392 2.992 20 30 CFEDHN C=CCCN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599555433 350455097 /nfs/dbraw/zinc/45/50/97/350455097.db2.gz LSPSFXFHCCVITF-UHFFFAOYSA-N 0 3 280.393 2.685 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599586572 350460165 /nfs/dbraw/zinc/46/01/65/350460165.db2.gz ARHCOPMFQCESSK-KKUMJFAQSA-N 0 3 297.439 2.613 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc(C#N)ccc1F ZINC000599627618 350467165 /nfs/dbraw/zinc/46/71/65/350467165.db2.gz XZKVDXIVQMOEIA-KIGUWFBYSA-N 0 3 262.328 2.599 20 30 CFEDHN N#CCc1cccc2c1CCN(CCC[C@H]1CCOC1)C2 ZINC000599677899 350480138 /nfs/dbraw/zinc/48/01/38/350480138.db2.gz MATKNFKRIAZCMH-HNNXBMFYSA-N 0 3 284.403 2.927 20 30 CFEDHN N#CCc1cccc2c1CCN(CCOC1CCC1)C2 ZINC000599677952 350480232 /nfs/dbraw/zinc/48/02/32/350480232.db2.gz NRQJDSCRVMMCBA-UHFFFAOYSA-N 0 3 270.376 2.680 20 30 CFEDHN N#CCc1cccc2c1CCN(CC[C@@H]1CCOC1)C2 ZINC000599678970 350480993 /nfs/dbraw/zinc/48/09/93/350480993.db2.gz USFVXDGFZDAALB-CQSZACIVSA-N 0 3 270.376 2.537 20 30 CFEDHN Cc1noc([C@@H]2OCC[C@@H]2NCCCCC(C)(C)C#N)n1 ZINC000599683346 350481855 /nfs/dbraw/zinc/48/18/55/350481855.db2.gz RGQZLICEUJJDMS-QWHCGFSZSA-N 0 3 292.383 2.518 20 30 CFEDHN C/C=C/C[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000599688043 350482896 /nfs/dbraw/zinc/48/28/96/350482896.db2.gz BMHUIKLIIBPHAW-NMONBKHDSA-N 0 3 289.423 2.616 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)CC1CCOCC1 ZINC000107064617 186159047 /nfs/dbraw/zinc/15/90/47/186159047.db2.gz VQPAAVIFBBBZIV-UHFFFAOYSA-N 0 3 262.328 2.556 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000271378309 191107064 /nfs/dbraw/zinc/10/70/64/191107064.db2.gz NIQCLUAFMREWSG-KRWDZBQOSA-N 0 3 284.403 2.571 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)CC1(C)COC1 ZINC000600191505 350536135 /nfs/dbraw/zinc/53/61/35/350536135.db2.gz POFXFCNHKGLIGN-UHFFFAOYSA-N 0 3 288.391 2.837 20 30 CFEDHN C/C=C\C[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600212144 350540439 /nfs/dbraw/zinc/54/04/39/350540439.db2.gz AQNIPMJSFWZIGM-PYLYLYNFSA-N 0 3 295.390 2.779 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC000600314127 350548996 /nfs/dbraw/zinc/54/89/96/350548996.db2.gz STUGLAGOEOPHLW-PWSUYJOCSA-N 0 3 266.291 2.529 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2cc(C3CC3)ccc2F)CC1 ZINC000600739283 350604118 /nfs/dbraw/zinc/60/41/18/350604118.db2.gz PHMRUEKPODCGLV-OAHLLOKOSA-N 0 3 288.366 2.847 20 30 CFEDHN CCSc1cccc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600738709 350604197 /nfs/dbraw/zinc/60/41/97/350604197.db2.gz KCOSXMBLZLJEHL-CQSZACIVSA-N 0 3 290.432 2.943 20 30 CFEDHN N#CC1(C[C@H](O)CN[C@H]2CCSc3ccccc32)CC1 ZINC000600714132 350600383 /nfs/dbraw/zinc/60/03/83/350600383.db2.gz JLLDKFQEBJOIPM-JSGCOSHPSA-N 0 3 288.416 2.868 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2ccc(F)c(Cl)c2)CC1 ZINC000600723048 350601492 /nfs/dbraw/zinc/60/14/92/350601492.db2.gz LZXFDHBGMCJWNK-NSHDSACASA-N 0 3 282.746 2.623 20 30 CFEDHN N#C[C@@H]1CC[C@@H](n2cc(CNC3CCCCC3)nn2)C1 ZINC000600812747 350616460 /nfs/dbraw/zinc/61/64/60/350616460.db2.gz FHAAVVSDQVDYPP-IUODEOHRSA-N 0 3 273.384 2.565 20 30 CFEDHN COc1ccc(-c2ccc([C@H]3CNCCO3)cc2)cc1C#N ZINC000600787530 350611641 /nfs/dbraw/zinc/61/16/41/350611641.db2.gz AGVRWAADADOLMH-GOSISDBHSA-N 0 3 294.354 2.895 20 30 CFEDHN COc1ccc(-c2cccc([C@H]3CNCCO3)c2)cc1C#N ZINC000600788725 350611987 /nfs/dbraw/zinc/61/19/87/350611987.db2.gz MCQMVHVXFIQAPN-GOSISDBHSA-N 0 3 294.354 2.895 20 30 CFEDHN CN(c1ncc(C#N)c2ccsc21)[C@H]1CCCN(C)C1 ZINC000601119111 350673060 /nfs/dbraw/zinc/67/30/60/350673060.db2.gz MUAUNMYTABZEDR-LBPRGKRZSA-N 0 3 286.404 2.698 20 30 CFEDHN C=CC1CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000601067567 350657761 /nfs/dbraw/zinc/65/77/61/350657761.db2.gz IVQBBNPTJMFOOT-CQSZACIVSA-N 0 3 259.349 2.724 20 30 CFEDHN CCOC(=O)C1(C)CC(N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000601265850 350712480 /nfs/dbraw/zinc/71/24/80/350712480.db2.gz XJJVVKSZLLPSEA-VWDMACCTSA-N 0 3 286.375 2.941 20 30 CFEDHN CCC[C@@H](NC1CCN(CC#N)CC1)c1cc(C)ccn1 ZINC000601267626 350713350 /nfs/dbraw/zinc/71/33/50/350713350.db2.gz OTIPGZYMGXDOMS-MRXNPFEDSA-N 0 3 286.423 2.809 20 30 CFEDHN Cn1cc(CNCC(C)(C)F)c(-c2ccc(C#N)cc2)n1 ZINC000601137459 350679297 /nfs/dbraw/zinc/67/92/97/350679297.db2.gz YKZMXXIJUHHKDL-UHFFFAOYSA-N 0 3 286.354 2.796 20 30 CFEDHN CN1CCC(n2cc(NCC(C)(C)CCC#N)cn2)CC1 ZINC000601150509 350683054 /nfs/dbraw/zinc/68/30/54/350683054.db2.gz YPLCRTAFVARDLO-UHFFFAOYSA-N 0 3 289.427 2.892 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNc1cc(C#N)cc(C)n1)c1ccco1 ZINC000601164297 350686092 /nfs/dbraw/zinc/68/60/92/350686092.db2.gz BCNLCOUMJOMFMB-DOMZBBRYSA-N 0 3 298.390 2.818 20 30 CFEDHN CC[C@H]1CN(C)CCCN1c1ncc(C#N)cc1Cl ZINC000601192045 350693103 /nfs/dbraw/zinc/69/31/03/350693103.db2.gz PPKFJNKXDSXTSF-LBPRGKRZSA-N 0 3 278.787 2.527 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]1C(F)F ZINC000601604626 350745738 /nfs/dbraw/zinc/74/57/38/350745738.db2.gz NSZFGIHESQGKKS-STQMWFEESA-N 0 3 278.302 2.625 20 30 CFEDHN COc1cc(CN(C)C)ccc1NC(=O)CCCCC#N ZINC000601619335 350748621 /nfs/dbraw/zinc/74/86/21/350748621.db2.gz BEHQZZJPMPHPBK-UHFFFAOYSA-N 0 3 289.379 2.779 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc3c2CCOC3)C1 ZINC000601303749 350719754 /nfs/dbraw/zinc/71/97/54/350719754.db2.gz HTYKDZOCOIRZHU-CZUORRHYSA-N 0 3 270.376 2.931 20 30 CFEDHN CC(C)C[C@H](C)C[C@@H](C)N1CCN(CCC#N)CC1 ZINC000601316064 350722078 /nfs/dbraw/zinc/72/20/78/350722078.db2.gz FZYFWDNKMZPHSL-JKSUJKDBSA-N 0 3 265.445 2.978 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000601567097 350740921 /nfs/dbraw/zinc/74/09/21/350740921.db2.gz QGIMVHZKVRNLSX-HIFRSBDPSA-N 0 3 286.379 2.610 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000601567096 350740979 /nfs/dbraw/zinc/74/09/79/350740979.db2.gz QGIMVHZKVRNLSX-DZGCQCFKSA-N 0 3 286.379 2.610 20 30 CFEDHN Cc1ccc(CC2CN(C[C@@H](O)CC3(C#N)CC3)C2)cc1 ZINC000601958508 350818931 /nfs/dbraw/zinc/81/89/31/350818931.db2.gz IUYPEVWNNHNZOU-KRWDZBQOSA-N 0 3 284.403 2.524 20 30 CFEDHN CCSCCCNCc1cccc(F)c1C#N ZINC000602015905 350832195 /nfs/dbraw/zinc/83/21/95/350832195.db2.gz KHDBFZBNTKJNJH-UHFFFAOYSA-N 0 3 252.358 2.930 20 30 CFEDHN CC[C@H](C[C@@H](C)CO)NCc1cccc(F)c1C#N ZINC000602015200 350832422 /nfs/dbraw/zinc/83/24/22/350832422.db2.gz ZGVKOLNKBBWKBE-DGCLKSJQSA-N 0 3 264.344 2.584 20 30 CFEDHN CN(CC(=O)NCC1(C#N)CCCCC1)CC(C)(C)C ZINC000602183609 350849981 /nfs/dbraw/zinc/84/99/81/350849981.db2.gz PBHNQEIUHIKMDA-UHFFFAOYSA-N 0 3 279.428 2.555 20 30 CFEDHN CCOCCCCNCc1cccc(F)c1C#N ZINC000602005210 350828271 /nfs/dbraw/zinc/82/82/71/350828271.db2.gz OIOMZEWPORDJRZ-UHFFFAOYSA-N 0 3 250.317 2.604 20 30 CFEDHN C[C@H](Cc1ccsc1)NCc1cccc(C#N)n1 ZINC000602519269 350913252 /nfs/dbraw/zinc/91/32/52/350913252.db2.gz WUVVQELXMRUVGK-LLVKDONJSA-N 0 3 257.362 2.736 20 30 CFEDHN Cc1ccc(CCNCc2cccc(C#N)n2)c(C)c1 ZINC000602526638 350914895 /nfs/dbraw/zinc/91/48/95/350914895.db2.gz DYLUVDJVBBAAFJ-UHFFFAOYSA-N 0 3 265.360 2.902 20 30 CFEDHN CS[C@@H]1CCC[C@@H](NCc2cccc(C#N)n2)C1 ZINC000602551963 350922079 /nfs/dbraw/zinc/92/20/79/350922079.db2.gz QATXAGIDXDUYLS-BXUZGUMPSA-N 0 3 261.394 2.717 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)Cc1cccs1 ZINC000602558767 350923454 /nfs/dbraw/zinc/92/34/54/350923454.db2.gz DWFWZYGZPPCQGD-LBPRGKRZSA-N 0 3 271.389 2.983 20 30 CFEDHN CCOc1ccccc1CCNCc1cccc(C#N)n1 ZINC000602562896 350926221 /nfs/dbraw/zinc/92/62/21/350926221.db2.gz HUXHSRUPRGWEOI-UHFFFAOYSA-N 0 3 281.359 2.684 20 30 CFEDHN COc1cccc(O[C@@H](C)CNCc2cccc(C#N)n2)c1 ZINC000602572833 350929432 /nfs/dbraw/zinc/92/94/32/350929432.db2.gz YJMBZXPJJFLTSW-ZDUSSCGKSA-N 0 3 297.358 2.519 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@H](NCc2cccc(C#N)n2)CCO1 ZINC000602580107 350932963 /nfs/dbraw/zinc/93/29/63/350932963.db2.gz NBAKSLBZACYOQU-DOMZBBRYSA-N 0 3 273.380 2.637 20 30 CFEDHN N#CCCCNCc1cc(Cl)cc(Cl)c1N ZINC000602603431 350941453 /nfs/dbraw/zinc/94/14/53/350941453.db2.gz AKEZSFLFXLIYFL-UHFFFAOYSA-N 0 3 258.152 2.969 20 30 CFEDHN CC(C)C[C@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602585391 350935205 /nfs/dbraw/zinc/93/52/05/350935205.db2.gz PLYXFRWYLKOIRY-BBRMVZONSA-N 0 3 273.380 2.637 20 30 CFEDHN CC(C)[C@@H](NC[C@@H](C)CCC#N)c1nnc2ccccn21 ZINC000602586248 350936400 /nfs/dbraw/zinc/93/64/00/350936400.db2.gz NZZAYDHBUJOVLB-DZGCQCFKSA-N 0 3 285.395 2.956 20 30 CFEDHN C[C@H](CCC#N)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000602438134 350882301 /nfs/dbraw/zinc/88/23/01/350882301.db2.gz BCVGVCHNVWZTTI-GFCCVEGCSA-N 0 3 261.325 2.966 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](c3ccccc3)C2)n1 ZINC000602443136 350884629 /nfs/dbraw/zinc/88/46/29/350884629.db2.gz RKOYTNQABVGABR-HNNXBMFYSA-N 0 3 263.344 2.943 20 30 CFEDHN COCCN(CCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602445904 350885845 /nfs/dbraw/zinc/88/58/45/350885845.db2.gz YQTQISJXAIHIQQ-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN C[C@H](CCC#N)CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000602469869 350893637 /nfs/dbraw/zinc/89/36/37/350893637.db2.gz AISZBOXXDCHLKI-GFCCVEGCSA-N 0 3 268.364 2.902 20 30 CFEDHN C[C@H](CCC#N)CN1CCOC2(CCCCC2)C1 ZINC000602475591 350896894 /nfs/dbraw/zinc/89/68/94/350896894.db2.gz LDKMJOOPARRTIP-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN COCCN(Cc1scnc1C)C[C@@H](C)CCC#N ZINC000602642516 350959073 /nfs/dbraw/zinc/95/90/73/350959073.db2.gz YQCHRTFXHDMFJP-LBPRGKRZSA-N 0 3 281.425 2.840 20 30 CFEDHN COc1ccc2c(c1)OCCN(C[C@H](C)CCC#N)C2 ZINC000602652677 350961725 /nfs/dbraw/zinc/96/17/25/350961725.db2.gz JIAYVFVIRQJWTB-CYBMUJFWSA-N 0 3 274.364 2.829 20 30 CFEDHN CN(Cc1cccc(C#N)n1)C1CCC(F)(F)CC1 ZINC000602664276 350966357 /nfs/dbraw/zinc/96/63/57/350966357.db2.gz YRXBNYJWNGIOHE-UHFFFAOYSA-N 0 3 265.307 2.963 20 30 CFEDHN N#Cc1cccc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)n1 ZINC000602679643 350974825 /nfs/dbraw/zinc/97/48/25/350974825.db2.gz ARHLCLZHLGYLQB-HOTGVXAUSA-N 0 3 253.349 2.574 20 30 CFEDHN N#Cc1cccc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)n1 ZINC000602679645 350974879 /nfs/dbraw/zinc/97/48/79/350974879.db2.gz ARHLCLZHLGYLQB-JKSUJKDBSA-N 0 3 253.349 2.574 20 30 CFEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)nc1C ZINC000602690639 350980569 /nfs/dbraw/zinc/98/05/69/350980569.db2.gz LCBCKUQLJAIIDM-CQSZACIVSA-N 0 3 287.407 2.887 20 30 CFEDHN CO[C@H](CNCC(C)(C)CC#N)Cc1ccccc1 ZINC000602691691 350981530 /nfs/dbraw/zinc/98/15/30/350981530.db2.gz QKAFAUAXYFURRN-HNNXBMFYSA-N 0 3 260.381 2.774 20 30 CFEDHN CO[C@@H](CNCc1ccc(CC#N)cc1)CC(C)C ZINC000602697827 350984448 /nfs/dbraw/zinc/98/44/48/350984448.db2.gz AURCTLMNTVXTNW-MRXNPFEDSA-N 0 3 260.381 2.903 20 30 CFEDHN CO[C@H](CNCC1(C#N)CCCC1)C1CCCC1 ZINC000602701051 350987171 /nfs/dbraw/zinc/98/71/71/350987171.db2.gz ZVIVCESEXNEFGP-CQSZACIVSA-N 0 3 250.386 2.865 20 30 CFEDHN CCC(C)(C)N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602704707 350988801 /nfs/dbraw/zinc/98/88/01/350988801.db2.gz JQTLFACSXZOAHR-CQSZACIVSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)OC)no1 ZINC000602704011 350989216 /nfs/dbraw/zinc/98/92/16/350989216.db2.gz ACKPLTMCNKBEOU-YPMHNXCESA-N 0 3 278.352 2.686 20 30 CFEDHN C=CCCSCCNCc1cccn(C(F)F)c1=O ZINC000602711675 350994038 /nfs/dbraw/zinc/99/40/38/350994038.db2.gz UTCNVFLNUVJYFV-UHFFFAOYSA-N 0 3 288.363 2.642 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)n1 ZINC000602716156 350996616 /nfs/dbraw/zinc/99/66/16/350996616.db2.gz IVQSAIMFMJFATC-WMLDXEAASA-N 0 3 285.391 2.734 20 30 CFEDHN C=CCCC(C)(C)NCc1cc(C(=O)OCC)no1 ZINC000602718385 350998098 /nfs/dbraw/zinc/99/80/98/350998098.db2.gz XGPFROURBCVCQV-UHFFFAOYSA-N 0 3 266.341 2.686 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(C)[nH]2)C1 ZINC000602720234 350998956 /nfs/dbraw/zinc/99/89/56/350998956.db2.gz FEBOOBDQTKWZHC-GFCCVEGCSA-N 0 3 262.353 2.508 20 30 CFEDHN C=CC(C)(C)CCNCc1cc(C(=O)OCC)no1 ZINC000602719853 350999104 /nfs/dbraw/zinc/99/91/04/350999104.db2.gz BDWWXDUNPXERAM-UHFFFAOYSA-N 0 3 266.341 2.543 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000602720679 350999601 /nfs/dbraw/zinc/99/96/01/350999601.db2.gz KWLYEZAAUSDOIK-LBPRGKRZSA-N 0 3 262.353 2.589 20 30 CFEDHN CCn1nc(C)c(CN(C)C[C@H](C)CCC#N)c1C ZINC000602730297 351004235 /nfs/dbraw/zinc/00/42/35/351004235.db2.gz ZVLANOPWKWWTPZ-GFCCVEGCSA-N 0 3 262.401 2.892 20 30 CFEDHN COCC[C@@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602610864 350945537 /nfs/dbraw/zinc/94/55/37/350945537.db2.gz JOXZKOWHSRCTMZ-AWEZNQCLSA-N 0 3 273.380 2.592 20 30 CFEDHN Cc1cnc([C@H](C)CNCc2cccc(C#N)n2)s1 ZINC000602613729 350946406 /nfs/dbraw/zinc/94/64/06/350946406.db2.gz PLPSNIZZPLHZTK-SNVBAGLBSA-N 0 3 272.377 2.612 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602621665 350949760 /nfs/dbraw/zinc/94/97/60/350949760.db2.gz PJDDTUBWCITMGC-JKSUJKDBSA-N 0 3 273.380 2.637 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cccc(C#N)n1 ZINC000602621650 350949976 /nfs/dbraw/zinc/94/99/76/350949976.db2.gz PJDDTUBWCITMGC-CVEARBPZSA-N 0 3 273.380 2.637 20 30 CFEDHN CC(C)COC1CCN(CC2(CC#N)CC2)CC1 ZINC000602770011 351019331 /nfs/dbraw/zinc/01/93/31/351019331.db2.gz YUMVACWHUANMTO-UHFFFAOYSA-N 0 3 250.386 2.817 20 30 CFEDHN N#CCC1(CN2CCC(c3ccccn3)CC2)CC1 ZINC000602802907 351032050 /nfs/dbraw/zinc/03/20/50/351032050.db2.gz XISKHCXEEAIOAM-UHFFFAOYSA-N 0 3 255.365 2.955 20 30 CFEDHN CN(CCc1cccc([N+](=O)[O-])c1)CC1(CC#N)CC1 ZINC000602826627 351039165 /nfs/dbraw/zinc/03/91/65/351039165.db2.gz WRCLNPHREHCAAE-UHFFFAOYSA-N 0 3 273.336 2.763 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1NCC1(CC#N)CC1 ZINC000602839926 351041611 /nfs/dbraw/zinc/04/16/11/351041611.db2.gz LVCHDOVRRCREPS-CABCVRRESA-N 0 3 256.349 2.582 20 30 CFEDHN C[C@H]1CN(CCc2ccc(Cl)cc2)C[C@H](C)N1CC#N ZINC000602848622 351044055 /nfs/dbraw/zinc/04/40/55/351044055.db2.gz HOLVUIMHWIHNFY-KBPBESRZSA-N 0 3 291.826 2.801 20 30 CFEDHN C[C@H]1CN(CCCC2CCCC2)C[C@H](C)N1CC#N ZINC000602858458 351047014 /nfs/dbraw/zinc/04/70/14/351047014.db2.gz BDRYNUALVNWDAU-GJZGRUSLSA-N 0 3 263.429 2.875 20 30 CFEDHN CN1CCN(CC2(CC#N)CC2)[C@H](Cc2ccccc2)C1 ZINC000602867186 351051620 /nfs/dbraw/zinc/05/16/20/351051620.db2.gz QUBNPGSRUACRKW-QGZVFWFLSA-N 0 3 283.419 2.539 20 30 CFEDHN CCN1[C@H](C)CN([C@H](C#N)c2ccccc2)C[C@@H]1C ZINC000602872947 351053644 /nfs/dbraw/zinc/05/36/44/351053644.db2.gz DYEDWZUEXNYRSJ-IJEWVQPXSA-N 0 3 257.381 2.666 20 30 CFEDHN N#CC1(CCCN2CCC[C@@H]2c2cn[nH]c2)CCOCC1 ZINC000602878784 351056020 /nfs/dbraw/zinc/05/60/20/351056020.db2.gz ANRSSLKYANVZGT-OAHLLOKOSA-N 0 3 288.395 2.647 20 30 CFEDHN Cc1cc(CN2CCC[C@H](n3ccnn3)CC2)ccc1C#N ZINC000602894017 351059148 /nfs/dbraw/zinc/05/91/48/351059148.db2.gz WQFHZHCBTXCCAU-KRWDZBQOSA-N 0 3 295.390 2.685 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](n3ccnn3)CC2)ccc1C#N ZINC000602894018 351059613 /nfs/dbraw/zinc/05/96/13/351059613.db2.gz WQFHZHCBTXCCAU-QGZVFWFLSA-N 0 3 295.390 2.685 20 30 CFEDHN COc1ccc([C@H](NCC2(CC#N)CC2)C2CC2)cn1 ZINC000602916970 351064099 /nfs/dbraw/zinc/06/40/99/351064099.db2.gz JMZWXYSQOHUFJC-OAHLLOKOSA-N 0 3 271.364 2.825 20 30 CFEDHN N#Cc1cccc(CNCC2([C@@H]3CCCCO3)CCC2)n1 ZINC000602740213 351010233 /nfs/dbraw/zinc/01/02/33/351010233.db2.gz HFKOWBFDCIOIAY-INIZCTEOSA-N 0 3 285.391 2.782 20 30 CFEDHN CC[C@@]1(O)CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000602742326 351011088 /nfs/dbraw/zinc/01/10/88/351011088.db2.gz XGTGLESUUYLJBA-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN CC(C)(C)[C@@H](N)c1cn(CCCC(C)(C)C#N)nn1 ZINC000603259157 351126595 /nfs/dbraw/zinc/12/65/95/351126595.db2.gz DXSZUSXTBRSDKX-LBPRGKRZSA-N 0 3 263.389 2.654 20 30 CFEDHN Cc1ccc(Cn2cc([C@@H](N)C(C)(C)C)nn2)cc1C#N ZINC000603221528 351120274 /nfs/dbraw/zinc/12/02/74/351120274.db2.gz CGZAOAXQMLDKBL-OAHLLOKOSA-N 0 3 283.379 2.552 20 30 CFEDHN CCC[C@@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227999 351121881 /nfs/dbraw/zinc/12/18/81/351121881.db2.gz YEKUVCITEWUYQE-CYBMUJFWSA-N 0 3 289.770 2.651 20 30 CFEDHN Cc1ncc([C@H](C)NCCCSCC#N)s1 ZINC000602955273 351071811 /nfs/dbraw/zinc/07/18/11/351071811.db2.gz IKMWRCIRQYRKTB-VIFPVBQESA-N 0 3 255.412 2.749 20 30 CFEDHN CN(CCCCCn1cccn1)[C@H]1CCC[C@H]1C#N ZINC000602978984 351079729 /nfs/dbraw/zinc/07/97/29/351079729.db2.gz ZLLSXTYPOUGEQD-GJZGRUSLSA-N 0 3 260.385 2.677 20 30 CFEDHN Cc1nccn1CCCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602979533 351080812 /nfs/dbraw/zinc/08/08/12/351080812.db2.gz FJWQAPJHTHAFFV-LSDHHAIUSA-N 0 3 260.385 2.596 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1F ZINC000602997521 351087977 /nfs/dbraw/zinc/08/79/77/351087977.db2.gz MAJXNEAEUYGPMK-PVAVHDDUSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1F ZINC000602997520 351088049 /nfs/dbraw/zinc/08/80/49/351088049.db2.gz MAJXNEAEUYGPMK-OIISXLGYSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c1F ZINC000602996998 351088403 /nfs/dbraw/zinc/08/84/03/351088403.db2.gz AFCGADLQXXSFCA-XHSDSOJGSA-N 0 3 288.366 2.823 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H](C)C(C)(C)C ZINC000603056904 351096945 /nfs/dbraw/zinc/09/69/45/351096945.db2.gz XCKXPFSYCRWAHG-CJNGLKHVSA-N 0 3 281.444 2.655 20 30 CFEDHN COCc1cc(C#N)ccc1NC[C@@H]1CCN1C(C)(C)C ZINC000603406204 351158028 /nfs/dbraw/zinc/15/80/28/351158028.db2.gz QVRAUYDYKOCRCC-HNNXBMFYSA-N 0 3 287.407 2.989 20 30 CFEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)C(F)F ZINC000603428337 351162319 /nfs/dbraw/zinc/16/23/19/351162319.db2.gz IGJYJRXDMBUPDC-LBPRGKRZSA-N 0 3 293.361 2.766 20 30 CFEDHN COCc1cc(C#N)ccc1NCCN1CCCCC1 ZINC000603284898 351130167 /nfs/dbraw/zinc/13/01/67/351130167.db2.gz WLLXHWFTDPFQAJ-UHFFFAOYSA-N 0 3 273.380 2.602 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000605738786 351257134 /nfs/dbraw/zinc/25/71/34/351257134.db2.gz XOFCYOSWSDIILA-QLFBSQMISA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CCC(C)(C)C)CC1 ZINC000609577954 351508737 /nfs/dbraw/zinc/50/87/37/351508737.db2.gz KVARGABRPITQRV-CQSZACIVSA-N 0 3 251.418 2.588 20 30 CFEDHN N#Cc1cccc(CN(CCO)CCc2ccccc2)c1 ZINC000609578155 351509787 /nfs/dbraw/zinc/50/97/87/351509787.db2.gz OOKIYIYZWGAUHU-UHFFFAOYSA-N 0 3 280.371 2.595 20 30 CFEDHN CCC[C@@H](C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000608815928 351474758 /nfs/dbraw/zinc/47/47/58/351474758.db2.gz PQTXQIURRGOEMF-IRXDYDNUSA-N 0 3 299.418 2.707 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000609920130 351528559 /nfs/dbraw/zinc/52/85/59/351528559.db2.gz LSEZMFYUIBWHSL-LBPRGKRZSA-N 0 3 281.315 2.650 20 30 CFEDHN CCN1CCC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000329962115 539817500 /nfs/dbraw/zinc/81/75/00/539817500.db2.gz SNZTVAKYJVMROM-GFCCVEGCSA-N 0 3 287.363 2.925 20 30 CFEDHN C[C@H](C[C@@H]1CCOC1)NCc1ccc(C#N)cc1F ZINC000610812779 351611560 /nfs/dbraw/zinc/61/15/60/351611560.db2.gz QLAZQLLGMZLYLT-YPMHNXCESA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C(=O)N(C)c1ccc(C#N)cc1F)C(F)(F)F ZINC000610388174 351561556 /nfs/dbraw/zinc/56/15/56/351561556.db2.gz YPDSLBUGZHCEGH-SSDOTTSWSA-N 0 3 274.217 2.859 20 30 CFEDHN CN(CCc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610991364 351629585 /nfs/dbraw/zinc/62/95/85/351629585.db2.gz HFGJSXQEKWZHMN-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN CC1CCC(N2CCN(Cc3ccnc(C#N)c3)CC2)CC1 ZINC000610993501 351631343 /nfs/dbraw/zinc/63/13/43/351631343.db2.gz VCGSBSPHVDPCLW-UHFFFAOYSA-N 0 3 298.434 2.650 20 30 CFEDHN C[C@H](CN1CCCC1=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391096 351680662 /nfs/dbraw/zinc/68/06/62/351680662.db2.gz SFHMMGCVMJXRQF-DYVFJYSZSA-N 0 3 297.402 2.536 20 30 CFEDHN Cc1noc(C)c1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000611409131 351684161 /nfs/dbraw/zinc/68/41/61/351684161.db2.gz RQQYMPMNFVWWLW-LLVKDONJSA-N 0 3 285.347 2.893 20 30 CFEDHN Cc1noc(C)c1[C@@H](C)NCCOc1ccccc1C#N ZINC000611409167 351684227 /nfs/dbraw/zinc/68/42/27/351684227.db2.gz WBMAOUQSMXLOHJ-LLVKDONJSA-N 0 3 285.347 2.893 20 30 CFEDHN Cc1noc(C)c1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000611409132 351684511 /nfs/dbraw/zinc/68/45/11/351684511.db2.gz RQQYMPMNFVWWLW-NSHDSACASA-N 0 3 285.347 2.893 20 30 CFEDHN CCc1nnc(SCCN(CC)CC)c(C#N)c1CC ZINC000120800345 186927205 /nfs/dbraw/zinc/92/72/05/186927205.db2.gz DDSKXNPTOJJUMC-UHFFFAOYSA-N 0 3 292.452 2.907 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000611801300 351742206 /nfs/dbraw/zinc/74/22/06/351742206.db2.gz VQYLOWHRECIRBO-JCGVRSQUSA-N 0 3 263.406 2.877 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000611559914 351708512 /nfs/dbraw/zinc/70/85/12/351708512.db2.gz MUEBHTVZACTPDF-LBPRGKRZSA-N 0 3 264.325 2.756 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000611588545 351711914 /nfs/dbraw/zinc/71/19/14/351711914.db2.gz FJCPGQJPNFDAAN-VHSXEESVSA-N 0 3 250.317 2.507 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000612070186 351769015 /nfs/dbraw/zinc/76/90/15/351769015.db2.gz KOGDQAIVUUOKGY-KRWDZBQOSA-N 0 3 280.375 2.786 20 30 CFEDHN Cc1ccnc(NC[C@@H](C)N2CCC[C@H](C)C2)c1C#N ZINC000612070383 351769081 /nfs/dbraw/zinc/76/90/81/351769081.db2.gz CAPUHFQGYCONCX-GXTWGEPZSA-N 0 3 272.396 2.794 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CCN(CC3CC3)C2)c1C#N ZINC000612077844 351770089 /nfs/dbraw/zinc/77/00/89/351770089.db2.gz PRRDGTFCFBTTMO-LBPRGKRZSA-N 0 3 290.798 2.811 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000152922181 539824529 /nfs/dbraw/zinc/82/45/29/539824529.db2.gz QSJLOEBFTHHSHG-OAGGEKHMSA-N 0 3 259.349 2.661 20 30 CFEDHN CC(C)(C#N)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000612584830 351838971 /nfs/dbraw/zinc/83/89/71/351838971.db2.gz CFYLGLCFSVGYCX-UHFFFAOYSA-N 0 3 296.418 2.662 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000123780174 187108183 /nfs/dbraw/zinc/10/81/83/187108183.db2.gz ABVDURCLRUDEMF-CJNGLKHVSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@H]1C[C@H](N(C)C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000123818630 187110493 /nfs/dbraw/zinc/11/04/93/187110493.db2.gz CCNQSJZWEPJZEO-WMWLRVSLSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCN(C(=O)NCc1cccc(CN(C)C)c1)C1CC1 ZINC000271449729 191143764 /nfs/dbraw/zinc/14/37/64/191143764.db2.gz OAHMEMRMXROGRR-UHFFFAOYSA-N 0 3 287.407 2.608 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000613385532 351948696 /nfs/dbraw/zinc/94/86/96/351948696.db2.gz RUWCKOSQWOBOOH-GJZGRUSLSA-N 0 3 265.397 2.842 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cc(C#N)ccc1F ZINC000613390137 351949824 /nfs/dbraw/zinc/94/98/24/351949824.db2.gz YSFBCZUYUCCBPK-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCCOCC2)cc1 ZINC000614163269 352054217 /nfs/dbraw/zinc/05/42/17/352054217.db2.gz WWCHZNLSALQDFR-UHFFFAOYSA-N 0 3 258.365 2.710 20 30 CFEDHN CC(C)(C#N)c1ccc(CN(CC(N)=O)C2CCCC2)cc1 ZINC000614164629 352055295 /nfs/dbraw/zinc/05/52/95/352055295.db2.gz KLWNZIGOIBOSKT-UHFFFAOYSA-N 0 3 299.418 2.718 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@@]1(CO)CCc2ccccc21 ZINC000614403842 352090225 /nfs/dbraw/zinc/09/02/25/352090225.db2.gz QYAIASHVYJBFRK-LJQANCHMSA-N 0 3 292.382 2.790 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CC[C@@H]4CCC[C@@H]43)o2)c1 ZINC000614600745 352106652 /nfs/dbraw/zinc/10/66/52/352106652.db2.gz IEOPKSVSQZEMAI-ZFWWWQNUSA-N 0 3 294.358 2.983 20 30 CFEDHN C[C@H](c1cccnc1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000271471926 191157602 /nfs/dbraw/zinc/15/76/02/191157602.db2.gz GEOTZILFPXLJJQ-CXAGYDPISA-N 0 3 281.359 2.680 20 30 CFEDHN C#CCNC1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000491165054 539840986 /nfs/dbraw/zinc/84/09/86/539840986.db2.gz IEKVAEZCXNKMEV-UHFFFAOYSA-N 0 3 281.758 2.794 20 30 CFEDHN CC(C)(C)CN(CCO)Cc1ccc(C#N)c(F)c1 ZINC000616754184 352426854 /nfs/dbraw/zinc/42/68/54/352426854.db2.gz CRAMBVNIOODUDQ-UHFFFAOYSA-N 0 3 264.344 2.538 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN(CCc3ccccc3)C2)nc1 ZINC000292107488 198165165 /nfs/dbraw/zinc/16/51/65/198165165.db2.gz GWPMWTCAUCZSCS-KRWDZBQOSA-N 0 3 293.370 2.649 20 30 CFEDHN C=CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000617614860 352604119 /nfs/dbraw/zinc/60/41/19/352604119.db2.gz QUJGEXAWMFLVAB-UHFFFAOYSA-N 0 3 272.392 2.591 20 30 CFEDHN CC[C@@H](NCC(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000618571655 352813615 /nfs/dbraw/zinc/81/36/15/352813615.db2.gz FTWGRTZSDLZNMI-MRXNPFEDSA-N 0 3 285.391 2.658 20 30 CFEDHN CSc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000618571456 352813864 /nfs/dbraw/zinc/81/38/64/352813864.db2.gz RLBHPIVFVLECJQ-YPMHNXCESA-N 0 3 261.394 2.975 20 30 CFEDHN CCOC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000618592908 352826215 /nfs/dbraw/zinc/82/62/15/352826215.db2.gz XSXNUUZOMOWXHM-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc2nccn21 ZINC000618741969 352876144 /nfs/dbraw/zinc/87/61/44/352876144.db2.gz JDZBYSXYTWFZFI-QGZVFWFLSA-N 0 3 288.354 2.983 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618891008 352906358 /nfs/dbraw/zinc/90/63/58/352906358.db2.gz QIMQBUMDTFFOGL-XNJGSVPQSA-N 0 3 297.402 2.535 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618986318 352927677 /nfs/dbraw/zinc/92/76/77/352927677.db2.gz YEDGRQWWQJGSHZ-CABCVRRESA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC1 ZINC000619305702 352990859 /nfs/dbraw/zinc/99/08/59/352990859.db2.gz SOYUFZZKQCJVFI-LRDDRELGSA-N 0 3 281.359 2.545 20 30 CFEDHN C=C[C@H](Nc1cccc2c1CN(CCCC)C2)C(=O)OC ZINC000619734389 353061498 /nfs/dbraw/zinc/06/14/98/353061498.db2.gz HGCJKFNRESZDLV-HNNXBMFYSA-N 0 3 288.391 2.942 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000619748630 353063258 /nfs/dbraw/zinc/06/32/58/353063258.db2.gz PFQHULJMSDVFLD-RISCZKNCSA-N 0 3 289.810 2.926 20 30 CFEDHN CCOC[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754668 353063809 /nfs/dbraw/zinc/06/38/09/353063809.db2.gz HDHSVNVNZYWFPG-JTQLQIEISA-N 0 3 252.745 2.726 20 30 CFEDHN COC(=O)CC1(CN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000619649727 353043476 /nfs/dbraw/zinc/04/34/76/353043476.db2.gz GHVUZCSJCWTMNA-LBPRGKRZSA-N 0 3 272.348 2.552 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000620310461 353150242 /nfs/dbraw/zinc/15/02/42/353150242.db2.gz NZSPELNIAGUKGK-JKJDWNRSSA-N 0 3 276.424 2.957 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000620310467 353150343 /nfs/dbraw/zinc/15/03/43/353150343.db2.gz NZSPELNIAGUKGK-UVPYHEFZSA-N 0 3 276.424 2.957 20 30 CFEDHN CC#CCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000156575420 188270300 /nfs/dbraw/zinc/27/03/00/188270300.db2.gz JDOCQLIZPWDYAF-UHFFFAOYSA-N 0 3 285.391 2.686 20 30 CFEDHN CC#CCCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000157580519 188325815 /nfs/dbraw/zinc/32/58/15/188325815.db2.gz AYYNLLHVPLKNHS-CQSZACIVSA-N 0 3 296.208 2.828 20 30 CFEDHN N#Cc1ccc(CNCC2CCSCC2)c(F)c1 ZINC000158098979 188357477 /nfs/dbraw/zinc/35/74/77/188357477.db2.gz IUESZJSKOZOYPC-UHFFFAOYSA-N 0 3 264.369 2.930 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CSCCS2)c(F)c1 ZINC000158114443 188358150 /nfs/dbraw/zinc/35/81/50/188358150.db2.gz PBWGBSSGRUJOTC-GFCCVEGCSA-N 0 3 282.409 2.636 20 30 CFEDHN C=CCOc1c(Cl)cc(CNC[C@H](C)CO)cc1OC ZINC000623373560 353628253 /nfs/dbraw/zinc/62/82/53/353628253.db2.gz DAEBFCDVUWUOFQ-NSHDSACASA-N 0 3 299.798 2.631 20 30 CFEDHN C=CC[C@H](CC)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623513303 353661124 /nfs/dbraw/zinc/66/11/24/353661124.db2.gz SKLVGFCVFLQDDM-ZDUSSCGKSA-N 0 3 274.343 2.851 20 30 CFEDHN C=CCOCCCNCc1cc(C)c(Br)cn1 ZINC000623569335 353674462 /nfs/dbraw/zinc/67/44/62/353674462.db2.gz CHTACQQEFJZVQB-UHFFFAOYSA-N 0 3 299.212 2.835 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000623717998 353710902 /nfs/dbraw/zinc/71/09/02/353710902.db2.gz SOEHJHZWRYZRRF-ARFHVFGLSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000623735129 353714226 /nfs/dbraw/zinc/71/42/26/353714226.db2.gz LRLAOWVNJGQKOI-OLZOCXBDSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCN1CCC(N[C@@H]2CCCc3scnc32)CC1 ZINC000623889473 353750814 /nfs/dbraw/zinc/75/08/14/353750814.db2.gz NXAROXOATJUMKD-CYBMUJFWSA-N 0 3 277.437 2.761 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2nc(C)cs2)CC1 ZINC000623889389 353750884 /nfs/dbraw/zinc/75/08/84/353750884.db2.gz LYHDHOQXJJWNME-LBPRGKRZSA-N 0 3 265.426 2.753 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nc(C)cs1 ZINC000624004166 353781128 /nfs/dbraw/zinc/78/11/28/353781128.db2.gz XTMWACGCSALZMH-WOPDTQHZSA-N 0 3 252.383 2.693 20 30 CFEDHN C=C(C)CCN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000625389561 354039420 /nfs/dbraw/zinc/03/94/20/354039420.db2.gz GUSLQMDLSIJXEX-KRWDZBQOSA-N 0 3 275.392 2.606 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C12CC(C1)C2)C(C)C ZINC000625557815 354068552 /nfs/dbraw/zinc/06/85/52/354068552.db2.gz PTWPUODCKQZXGA-ISXOHVOVSA-N 0 3 276.424 2.601 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(CC)Cc2ccccc2)C1 ZINC000625699392 354088323 /nfs/dbraw/zinc/08/83/23/354088323.db2.gz DOODEUHMNOXAIC-MRXNPFEDSA-N 0 3 286.419 2.933 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NC2CCC(C)CC2)C1 ZINC000625704011 354091632 /nfs/dbraw/zinc/09/16/32/354091632.db2.gz RARHJNRZGAIDOZ-SLTAFYQDSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000625704484 354091653 /nfs/dbraw/zinc/09/16/53/354091653.db2.gz UJUCRMJYHSTDSJ-CQSZACIVSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCCCCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625941824 354150284 /nfs/dbraw/zinc/15/02/84/354150284.db2.gz HASNLWXNHBEFOF-UHFFFAOYSA-N 0 3 289.379 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253.349 2.863 20 30 CFEDHN C=C1CC(C)(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000630578135 355115978 /nfs/dbraw/zinc/11/59/78/355115978.db2.gz HHCOSWMEMNNURN-UHFFFAOYSA-N 0 3 286.419 2.981 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000630810815 355184261 /nfs/dbraw/zinc/18/42/61/355184261.db2.gz INTCHXBVULMIPX-JSGCOSHPSA-N 0 3 264.413 2.579 20 30 CFEDHN COC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000271807360 191338493 /nfs/dbraw/zinc/33/84/93/191338493.db2.gz NRLFLEKPNMHOFK-ZWKOTPCHSA-N 0 3 296.370 2.569 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@H]2CCO[C@@H]21 ZINC000271822291 191348017 /nfs/dbraw/zinc/34/80/17/191348017.db2.gz CMMXAETXKNWZII-YUELXQCFSA-N 0 3 274.339 2.600 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@@H]2CCO[C@@H]21 ZINC000271822286 191349415 /nfs/dbraw/zinc/34/94/15/191349415.db2.gz CMMXAETXKNWZII-CFVMTHIKSA-N 0 3 274.339 2.600 20 30 CFEDHN C[C@H](NC[C@H](O)Cc1ccccc1)c1cccc(C#N)c1 ZINC000271866797 191377293 /nfs/dbraw/zinc/37/72/93/191377293.db2.gz 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LHYQLKUJKBKFSD-MRXNPFEDSA-N 0 3 287.338 2.683 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000668139197 540158723 /nfs/dbraw/zinc/15/87/23/540158723.db2.gz XNQVKCHOHSXNAP-WBVHZDCISA-N 0 3 273.376 2.909 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](CC)c1cccc(OC)c1OC ZINC000631602870 355511361 /nfs/dbraw/zinc/51/13/61/355511361.db2.gz JGKOHXNGMXKSPS-DZGCQCFKSA-N 0 3 293.407 2.929 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000633093823 355801788 /nfs/dbraw/zinc/80/17/88/355801788.db2.gz UKTDOJWVNQOBAU-KGLIPLIRSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)CC1CCN(C)CC1 ZINC000633965335 356045653 /nfs/dbraw/zinc/04/56/53/356045653.db2.gz PKQWDSHKZSTBFK-UHFFFAOYSA-N 0 3 266.429 2.827 20 30 CFEDHN C#CCO[C@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000295796344 199668133 /nfs/dbraw/zinc/66/81/33/199668133.db2.gz DPNPPDFBCQAXOM-GFCCVEGCSA-N 0 3 285.347 2.509 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCCCO1)CC2 ZINC000336560089 283198600 /nfs/dbraw/zinc/19/86/00/283198600.db2.gz YMKKBKQRPYOIJF-GDBMZVCRSA-N 0 3 256.349 2.704 20 30 CFEDHN N#Cc1cccc(CN[C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365161231 283206651 /nfs/dbraw/zinc/20/66/51/283206651.db2.gz JOVSXDSVCPNCLS-PKOBYXMFSA-N 0 3 292.382 2.944 20 30 CFEDHN C=CCCN(C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000294735809 199159353 /nfs/dbraw/zinc/15/93/53/199159353.db2.gz WNHWOGFFOAIPBL-XJKSGUPXSA-N 0 3 290.382 2.996 20 30 CFEDHN C=C(C)CCN1CCN(c2nc(C)cs2)CC1 ZINC000274770699 192767498 /nfs/dbraw/zinc/76/74/98/192767498.db2.gz MOUKHTDEQLMDLI-UHFFFAOYSA-N 0 3 251.399 2.540 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1nc(C)sc1C ZINC000678775437 540479663 /nfs/dbraw/zinc/47/96/63/540479663.db2.gz RYIVILFAHJLQAF-SKDRFNHKSA-N 0 3 254.399 2.595 20 30 CFEDHN CC(C)N1CCN(CCCCC2(C#N)CCC2)CC1 ZINC000675075271 540673310 /nfs/dbraw/zinc/67/33/10/540673310.db2.gz KDHZHARYORQWCP-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)N1CCC(C)CC1 ZINC000176958065 189016997 /nfs/dbraw/zinc/01/69/97/189016997.db2.gz VMCQQBPUQSXZKA-ZDUSSCGKSA-N 0 3 277.437 2.830 20 30 CFEDHN C[C@H](O)CC(C)(C)CNCc1ccc(C#N)s1 ZINC000176975546 189018104 /nfs/dbraw/zinc/01/81/04/189018104.db2.gz VSJKWQMSQDUTSS-JTQLQIEISA-N 0 3 252.383 2.506 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)s2)CCCC[C@@H]1O ZINC000176981814 189018696 /nfs/dbraw/zinc/01/86/96/189018696.db2.gz VWZNSFBWBVVEEU-UONOGXRCSA-N 0 3 264.394 2.651 20 30 CFEDHN C#CCCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000177124680 189030736 /nfs/dbraw/zinc/03/07/36/189030736.db2.gz VQIFVQUDENTFFM-UHFFFAOYSA-N 0 3 273.380 2.673 20 30 CFEDHN C#CCCCCNCc1cn2cc(Cl)ccc2n1 ZINC000177155491 189033113 /nfs/dbraw/zinc/03/31/13/189033113.db2.gz KHTQJYXVGUMUIS-UHFFFAOYSA-N 0 3 261.756 2.881 20 30 CFEDHN C#CCCOc1ccc(CN2CCCO[C@@H](C)C2)cc1 ZINC000179398679 189191451 /nfs/dbraw/zinc/19/14/51/189191451.db2.gz CMPSVHOYBULZFK-HNNXBMFYSA-N 0 3 273.376 2.700 20 30 CFEDHN CCC1(CO)CCN(Cc2cccc(C#N)c2)CC1 ZINC000179506566 189198396 /nfs/dbraw/zinc/19/83/96/189198396.db2.gz QFZLUYFTENNHBS-UHFFFAOYSA-N 0 3 258.365 2.543 20 30 CFEDHN CSC[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000180021767 189232673 /nfs/dbraw/zinc/23/26/73/189232673.db2.gz DTCQEGRHTXQSMM-SNVBAGLBSA-N 0 3 252.408 2.947 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC)c1ccc(CC)cc1 ZINC000180030786 189233137 /nfs/dbraw/zinc/23/31/37/189233137.db2.gz KGXGJBVRPWMWIL-HNNXBMFYSA-N 0 3 260.381 2.592 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000180034162 189233642 /nfs/dbraw/zinc/23/36/42/189233642.db2.gz SHQXJEPFCUTDPR-SWLSCSKDSA-N 0 3 258.365 2.517 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000180038411 189234374 /nfs/dbraw/zinc/23/43/74/189234374.db2.gz BNIAIFLHCKXMDF-INIZCTEOSA-N 0 3 272.392 2.810 20 30 CFEDHN C=CCC[C@H](NCC(=O)NCC=C)c1ccccc1 ZINC000180041615 189234505 /nfs/dbraw/zinc/23/45/05/189234505.db2.gz PYRZERVRTFXBAA-HNNXBMFYSA-N 0 3 258.365 2.586 20 30 CFEDHN C=CCNC(C)(C)COc1ncccc1Br ZINC000180393818 189252738 /nfs/dbraw/zinc/25/27/38/189252738.db2.gz DOKPCNAAAAMBRT-UHFFFAOYSA-N 0 3 285.185 2.777 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000180458867 189256386 /nfs/dbraw/zinc/25/63/86/189256386.db2.gz JEOSADIGLYFNOT-KZULUSFZSA-N 0 3 283.462 2.994 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000180459009 189256707 /nfs/dbraw/zinc/25/67/07/189256707.db2.gz VHGWPWOYGPLDBR-NSHDSACASA-N 0 3 265.378 2.985 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000671706101 541056048 /nfs/dbraw/zinc/05/60/48/541056048.db2.gz ISIAGANWMFXQEK-UONOGXRCSA-N 0 3 279.380 2.682 20 30 CFEDHN COC(=O)C1(CNCc2ccc(C#N)s2)CCCCC1 ZINC000183235948 189351713 /nfs/dbraw/zinc/35/17/13/189351713.db2.gz MQPRHOOWRBUHAD-UHFFFAOYSA-N 0 3 292.404 2.833 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnn2)C1 ZINC000425503487 239083981 /nfs/dbraw/zinc/08/39/81/239083981.db2.gz JATXLKRAQAXYFU-CZUORRHYSA-N 0 3 281.363 2.548 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc(C#N)nc1 ZINC000302186246 201387515 /nfs/dbraw/zinc/38/75/15/201387515.db2.gz VATIJROPSZSELQ-KBXCAEBGSA-N 0 3 292.386 2.886 20 30 CFEDHN CCCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000190783435 189574197 /nfs/dbraw/zinc/57/41/97/189574197.db2.gz UFQDNLJPNFJYFG-UHFFFAOYSA-N 0 3 283.375 2.975 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CC(c3ccccc3)C2)o1 ZINC000433195892 240122052 /nfs/dbraw/zinc/12/20/52/240122052.db2.gz ZJICBMAGSAAPCL-UHFFFAOYSA-N 0 3 296.370 2.797 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(C#N)c(F)c1 ZINC000275309199 192995879 /nfs/dbraw/zinc/99/58/79/192995879.db2.gz JARGUZMJTIWTEP-HERUPUMHSA-N 0 3 262.328 2.507 20 30 CFEDHN OCCN(CC#Cc1cccc(Cl)c1)C1CCC1 ZINC000275815713 193136782 /nfs/dbraw/zinc/13/67/82/193136782.db2.gz IVODARZKAMNIEN-UHFFFAOYSA-N 0 3 263.768 2.538 20 30 CFEDHN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000443637081 241080659 /nfs/dbraw/zinc/08/06/59/241080659.db2.gz FHZXNHBQTAKFSQ-KGLIPLIRSA-N 0 3 285.391 2.865 20 30 CFEDHN Cc1cc(CN[C@@H]2CCN(c3ccccn3)C2)ccc1C#N ZINC000443977549 241099386 /nfs/dbraw/zinc/09/93/86/241099386.db2.gz DPSZHCDDRPWWLQ-QGZVFWFLSA-N 0 3 292.386 2.630 20 30 CFEDHN Cc1cc(CNC[C@@H](c2ccco2)N(C)C)ccc1C#N ZINC000443973500 241100045 /nfs/dbraw/zinc/10/00/45/241100045.db2.gz ZQQKOFQYKACTHY-INIZCTEOSA-N 0 3 283.375 2.852 20 30 CFEDHN Cc1cc(CNC[C@H]2CCC(C)(C)O2)ccc1C#N ZINC000443997575 241105644 /nfs/dbraw/zinc/10/56/44/241105644.db2.gz NBMPXMSAVRGYBQ-OAHLLOKOSA-N 0 3 258.365 2.914 20 30 CFEDHN C=CCCOCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000673898483 541521227 /nfs/dbraw/zinc/52/12/27/541521227.db2.gz BARFXYGJVMTCIK-UHFFFAOYSA-N 0 3 287.363 2.891 20 30 CFEDHN C=CCCOCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000674002118 541529143 /nfs/dbraw/zinc/52/91/43/541529143.db2.gz GHVKLJYEAFZWGH-UHFFFAOYSA-N 0 3 276.380 2.588 20 30 CFEDHN CO[C@@](C)(CNCc1ccc(C#N)o1)c1ccccc1 ZINC000449486868 241968485 /nfs/dbraw/zinc/96/84/85/241968485.db2.gz VWQHUZOFGWAQJU-INIZCTEOSA-N 0 3 270.332 2.803 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(F)c1 ZINC000449551076 242021984 /nfs/dbraw/zinc/02/19/84/242021984.db2.gz FQAGLTUXMQEZHE-IJEWVQPXSA-N 0 3 288.366 2.680 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000449553946 242023674 /nfs/dbraw/zinc/02/36/74/242023674.db2.gz NDLCJJURHFLPNF-IKGGRYGDSA-N 0 3 270.376 2.541 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2nccc(C#N)n2)C1 ZINC000450276835 242337228 /nfs/dbraw/zinc/33/72/28/242337228.db2.gz PROGEQWZSBJCGV-BBRMVZONSA-N 0 3 293.374 2.596 20 30 CFEDHN N#Cc1ccc(N2CCN(CCC3=CCCCC3)CC2)nc1 ZINC000450288542 242342637 /nfs/dbraw/zinc/34/26/37/242342637.db2.gz RCVSUDWSCNAKRT-UHFFFAOYSA-N 0 3 296.418 2.966 20 30 CFEDHN CCN(CC)CCSc1cccc(C#N)c1[N+](=O)[O-] ZINC000450358999 242377559 /nfs/dbraw/zinc/37/75/59/242377559.db2.gz UQWMNDJOHALCAL-UHFFFAOYSA-N 0 3 279.365 2.900 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](Cn1cccn1)c1ccccc1 ZINC000675497123 541662122 /nfs/dbraw/zinc/66/21/22/541662122.db2.gz BPJMLYLKULSMPM-SJORKVTESA-N 0 3 285.391 2.541 20 30 CFEDHN C=CCC[C@H](O)CN1CCCO[C@H](c2ccccc2)C1 ZINC000675496471 541662337 /nfs/dbraw/zinc/66/23/37/541662337.db2.gz XVIBTABTYSJXIM-IRXDYDNUSA-N 0 3 275.392 2.777 20 30 CFEDHN C[C@H](N[C@@H]1CCOC1(C)C)c1ccc(C#N)c(F)c1 ZINC000296436959 299389288 /nfs/dbraw/zinc/38/92/88/299389288.db2.gz MCLFFYDPZNFKLI-IINYFYTJSA-N 0 3 262.328 2.915 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1sccc1C#N ZINC000330762825 203202910 /nfs/dbraw/zinc/20/29/10/203202910.db2.gz OHSHOKIIHRJCJB-ZDUSSCGKSA-N 0 3 291.420 2.614 20 30 CFEDHN CCN(CC#Cc1ccc(F)cc1)C[C@H]1CCOC1 ZINC000676556920 541766780 /nfs/dbraw/zinc/76/67/80/541766780.db2.gz BDVUWMZZWNIRIH-OAHLLOKOSA-N 0 3 261.340 2.536 20 30 CFEDHN C=C(C)CNCc1cc2c(cc1OC(F)F)OCO2 ZINC000276095211 193212302 /nfs/dbraw/zinc/21/23/02/193212302.db2.gz YHEHPEWEDSFTOV-UHFFFAOYSA-N 0 3 271.263 2.682 20 30 CFEDHN CC(C)[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330846215 203307461 /nfs/dbraw/zinc/30/74/61/203307461.db2.gz OBZHTYVBIDAZOZ-QGZVFWFLSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000276142650 193224321 /nfs/dbraw/zinc/22/43/21/193224321.db2.gz OPFFHAFBMCUVMI-OAHLLOKOSA-N 0 3 289.423 2.724 20 30 CFEDHN C=CCOc1cccc(CN(C)CCOCCOCC)c1 ZINC000276131841 193222476 /nfs/dbraw/zinc/22/24/76/193222476.db2.gz CWBAJXCUVZTEKI-UHFFFAOYSA-N 0 3 293.407 2.736 20 30 CFEDHN C#CCOc1ccccc1CNCCC(OCC)OCC ZINC000276278735 193269157 /nfs/dbraw/zinc/26/91/57/193269157.db2.gz XFZOZACYCPVINF-UHFFFAOYSA-N 0 3 291.391 2.577 20 30 CFEDHN C=CCCN(C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000276415486 193322235 /nfs/dbraw/zinc/32/22/35/193322235.db2.gz LZSLVCHEIDRVBF-UHFFFAOYSA-N 0 3 272.392 2.686 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000677047508 541813573 /nfs/dbraw/zinc/81/35/73/541813573.db2.gz CTHYADDQBXNEQS-INIZCTEOSA-N 0 3 279.355 2.606 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@](C)(c2ccccc2)C1 ZINC000677047819 541813696 /nfs/dbraw/zinc/81/36/96/541813696.db2.gz IAPHTYZADUIOHZ-SJORKVTESA-N 0 3 259.393 2.977 20 30 CFEDHN COCC#CCN1CCC[C@](C)(c2ccccc2)C1 ZINC000677133297 541825901 /nfs/dbraw/zinc/82/59/01/541825901.db2.gz QMXYKJCGKLXNQA-KRWDZBQOSA-N 0 3 257.377 2.690 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C#N)ccc1F ZINC000451682393 383682444 /nfs/dbraw/zinc/68/24/44/383682444.db2.gz ROSKSUWWRKWEGH-CABCVRRESA-N 0 3 260.312 2.521 20 30 CFEDHN CCCN(CC#CCOC)[C@@H]1C[C@H](OCC)C1(C)C ZINC000677480788 541865509 /nfs/dbraw/zinc/86/55/09/541865509.db2.gz VLRHDCPYAIEUFF-CABCVRRESA-N 0 3 267.413 2.552 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000677479527 541865937 /nfs/dbraw/zinc/86/59/37/541865937.db2.gz OOPIYRLLBYBRRS-MRXNPFEDSA-N 0 3 298.430 2.991 20 30 CFEDHN CN(CCc1ccccn1)Cc1ccc(C#N)cc1 ZINC000019844114 372197838 /nfs/dbraw/zinc/19/78/38/372197838.db2.gz BNVXUKZLQJHRLS-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN CC(C)C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)N(C)C ZINC000024679917 372280294 /nfs/dbraw/zinc/28/02/94/372280294.db2.gz HMPKQNMMWIVIOD-HNNXBMFYSA-N 0 3 288.395 2.656 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000038013647 372765464 /nfs/dbraw/zinc/76/54/64/372765464.db2.gz IBDHQBMCWDGDCI-CHWSQXEVSA-N 0 3 273.380 2.514 20 30 CFEDHN N#CCCCNCc1ccc(Br)s1 ZINC000038018668 372770481 /nfs/dbraw/zinc/77/04/81/372770481.db2.gz GXGHBAPWROSSBB-UHFFFAOYSA-N 0 3 259.172 2.904 20 30 CFEDHN N#Cc1cc2c(nc1NCCN1CCCCCC1)CCC2 ZINC000042250820 372896568 /nfs/dbraw/zinc/89/65/68/372896568.db2.gz FMFSYTREIMSCAY-UHFFFAOYSA-N 0 3 284.407 2.730 20 30 CFEDHN N#Cc1ccc(F)c(CN(CCO)C2CCCCC2)c1 ZINC000042505613 372929047 /nfs/dbraw/zinc/92/90/47/372929047.db2.gz MEVAVJFPBWHIRU-UHFFFAOYSA-N 0 3 276.355 2.824 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc(F)c1)c1ccccn1 ZINC000046705837 373058847 /nfs/dbraw/zinc/05/88/47/373058847.db2.gz ADESWEJVBPLHNI-GFCCVEGCSA-N 0 3 258.227 2.850 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H]2CCOC2)C2CC2)c(F)c1 ZINC000046092428 373043706 /nfs/dbraw/zinc/04/37/06/373043706.db2.gz CFQVSMMAYIUWQO-ZDUSSCGKSA-N 0 3 274.339 2.698 20 30 CFEDHN C=CCN(CC[C@@H]1CCS(=O)(=O)C1)CC1CCCCC1 ZINC000677685140 541888665 /nfs/dbraw/zinc/88/86/65/541888665.db2.gz PUEVWNKVONAAGA-MRXNPFEDSA-N 0 3 299.480 2.880 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000066898594 373963135 /nfs/dbraw/zinc/96/31/35/373963135.db2.gz FTDNUMRJIDHSKQ-INIZCTEOSA-N 0 3 272.392 2.558 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000068048772 374020052 /nfs/dbraw/zinc/02/00/52/374020052.db2.gz PAGUTIQZWNRALO-CQSZACIVSA-N 0 3 281.783 2.754 20 30 CFEDHN C=CCOc1ccc(CNC(C)(C)COC)cc1OC ZINC000066996130 373966420 /nfs/dbraw/zinc/96/64/20/373966420.db2.gz SFZFSYZOLBOQSU-UHFFFAOYSA-N 0 3 279.380 2.775 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccccc1)C(C)C ZINC000289523429 197388979 /nfs/dbraw/zinc/38/89/79/197388979.db2.gz PNGDDGXQHUDBGR-OAHLLOKOSA-N 0 3 253.349 2.824 20 30 CFEDHN CN1CCC[C@@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000069052386 374045838 /nfs/dbraw/zinc/04/58/38/374045838.db2.gz HMYKPXIKFWTQSB-ZDUSSCGKSA-N 0 3 280.375 2.860 20 30 CFEDHN CN(C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491507591 246076878 /nfs/dbraw/zinc/07/68/78/246076878.db2.gz TWSOFVJFRVJHQW-DVQDXYAYSA-N 0 3 297.402 2.514 20 30 CFEDHN N#Cc1ccc(CN2CCCN(c3ccccn3)CC2)cc1 ZINC000073109731 374322745 /nfs/dbraw/zinc/32/27/45/374322745.db2.gz WSWFDNOFYWWVOW-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@](C)(CC)C2)CC1 ZINC000074132360 374408288 /nfs/dbraw/zinc/40/82/88/374408288.db2.gz RQHLOVSFDQEHQC-KRWDZBQOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1ccc(Cl)cc1 ZINC000076736763 374556897 /nfs/dbraw/zinc/55/68/97/374556897.db2.gz LKWVTZZMPMIMPN-UHFFFAOYSA-N 0 3 280.799 2.854 20 30 CFEDHN COc1ccc(CN(C)CCc2ccccn2)cc1C#N ZINC000087833119 374831454 /nfs/dbraw/zinc/83/14/54/374831454.db2.gz UNEPNXKJSKXISC-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCCCS2)c1 ZINC000087683543 374827645 /nfs/dbraw/zinc/82/76/45/374827645.db2.gz JRRRUJHKXDVXKG-NSHDSACASA-N 0 3 252.408 2.995 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)CC(C)C)CC1 ZINC000084599901 374783794 /nfs/dbraw/zinc/78/37/94/374783794.db2.gz GXCXKVCTXVUIIY-UHFFFAOYSA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCCC#N ZINC000089140622 374873615 /nfs/dbraw/zinc/87/36/15/374873615.db2.gz QETHFMGBRQJQDN-QWHCGFSZSA-N 0 3 281.400 2.573 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000330367868 335028613 /nfs/dbraw/zinc/02/86/13/335028613.db2.gz HLGYWKZYCOCWAV-MWLCHTKSSA-N 0 3 295.314 2.521 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1cccc(Cl)c1C#N ZINC000092630901 375131286 /nfs/dbraw/zinc/13/12/86/375131286.db2.gz JVWHADUVGOMINP-LLVKDONJSA-N 0 3 263.772 2.742 20 30 CFEDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093324691 375213363 /nfs/dbraw/zinc/21/33/63/375213363.db2.gz SCVUFLHTWXIXQS-GFCCVEGCSA-N 0 3 270.332 2.920 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H](COC)C2)cc1 ZINC000093337834 375215920 /nfs/dbraw/zinc/21/59/20/375215920.db2.gz IIARBYZUTGTTAV-INIZCTEOSA-N 0 3 273.376 2.557 20 30 CFEDHN CC1CCC(N2CCN(Cc3ccc(C#N)o3)CC2)CC1 ZINC000093386949 375225191 /nfs/dbraw/zinc/22/51/91/375225191.db2.gz LAJOXIGRTRGZFB-UHFFFAOYSA-N 0 3 287.407 2.848 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)CC(C)(C)O ZINC000093414509 375231063 /nfs/dbraw/zinc/23/10/63/375231063.db2.gz OTNGDUGPDOJLAY-UHFFFAOYSA-N 0 3 276.380 2.572 20 30 CFEDHN C#CCN(Cc1ccc(OC)c(O)c1)C1CCCC1 ZINC000093819765 375317352 /nfs/dbraw/zinc/31/73/52/375317352.db2.gz IWXLEIWOORHGCL-UHFFFAOYSA-N 0 3 259.349 2.779 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506620 375257763 /nfs/dbraw/zinc/25/77/63/375257763.db2.gz SCIHGGFRRFLDQN-SJLPKXTDSA-N 0 3 285.387 2.700 20 30 CFEDHN Cc1cc(CCN[C@@H](C)c2ccc(C#N)cc2)on1 ZINC000507247477 247170283 /nfs/dbraw/zinc/17/02/83/247170283.db2.gz OLPLDUSGZNPBQW-LBPRGKRZSA-N 0 3 255.321 2.748 20 30 CFEDHN N#Cc1c(Cl)cccc1N1CC[C@H](N2CCCC2)C1 ZINC000104176265 375772275 /nfs/dbraw/zinc/77/22/75/375772275.db2.gz AKZSCAHAFGYXRF-LBPRGKRZSA-N 0 3 275.783 2.886 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000678743023 542063837 /nfs/dbraw/zinc/06/38/37/542063837.db2.gz RMWOEYWETGECKA-GWCFXTLKSA-N 0 3 271.307 2.876 20 30 CFEDHN C=CC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000111382501 375842098 /nfs/dbraw/zinc/84/20/98/375842098.db2.gz HPEJMZCKSWBQFK-AWEZNQCLSA-N 0 3 295.810 2.978 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000113265364 376002240 /nfs/dbraw/zinc/00/22/40/376002240.db2.gz SNKZHHDRDBLQEL-MAUKXSAKSA-N 0 3 286.419 2.731 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114643585 376076958 /nfs/dbraw/zinc/07/69/58/376076958.db2.gz ROWZJYUXMIQRKG-MRXNPFEDSA-N 0 3 272.392 2.733 20 30 CFEDHN C[C@@H]1CCC[C@@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115598086 376143211 /nfs/dbraw/zinc/14/32/11/376143211.db2.gz QMFBLSBJVSCITJ-XPKDYRNWSA-N 0 3 285.391 2.501 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(n2cncn2)CC1 ZINC000118395478 376291659 /nfs/dbraw/zinc/29/16/59/376291659.db2.gz QVLQURUEMLXSJR-ZDUSSCGKSA-N 0 3 281.363 2.548 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000119331207 376394711 /nfs/dbraw/zinc/39/47/11/376394711.db2.gz WTIRYCWTMFQFMD-QWRGUYRKSA-N 0 3 265.353 2.938 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)s1)[C@@H]1CCCO1 ZINC000119753265 376464870 /nfs/dbraw/zinc/46/48/70/376464870.db2.gz GHJSNUQKEPSSAH-STQMWFEESA-N 0 3 250.367 2.667 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(Cc2ccncc2)CC1 ZINC000119755560 376464925 /nfs/dbraw/zinc/46/49/25/376464925.db2.gz IMDYLJCTSRBKPP-UHFFFAOYSA-N 0 3 286.423 2.529 20 30 CFEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000120264104 376581671 /nfs/dbraw/zinc/58/16/71/376581671.db2.gz XWMUNHBDUGNNLM-ZDUSSCGKSA-N 0 3 273.380 2.863 20 30 CFEDHN N#Cc1ccc(CNCc2ccc(O)c(F)c2)cc1 ZINC000120513307 376632127 /nfs/dbraw/zinc/63/21/27/376632127.db2.gz HYCBKRLVAZZRGY-UHFFFAOYSA-N 0 3 256.280 2.693 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120898714 376717942 /nfs/dbraw/zinc/71/79/42/376717942.db2.gz RNWIZHYIFBELQN-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN CCCCN(CCOC)Cc1ccc(C#N)cc1OC ZINC000120922419 376723788 /nfs/dbraw/zinc/72/37/88/376723788.db2.gz MQBQELRMTMJWFT-UHFFFAOYSA-N 0 3 276.380 2.815 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(C#N)cc1OC ZINC000120950494 376729012 /nfs/dbraw/zinc/72/90/12/376729012.db2.gz SEGOXMKGVWMHLO-UHFFFAOYSA-N 0 3 276.380 2.551 20 30 CFEDHN COCC#CCN[C@H](COc1ccccc1F)C(C)(C)C ZINC000678897726 542090027 /nfs/dbraw/zinc/09/00/27/542090027.db2.gz FYBDMZOYUVYJDT-MRXNPFEDSA-N 0 3 293.382 2.859 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@H]1CCSC1 ZINC000121597123 376867052 /nfs/dbraw/zinc/86/70/52/376867052.db2.gz ZOKVRVPHVNVEIR-ZDUSSCGKSA-N 0 3 262.378 2.504 20 30 CFEDHN C=CCN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000124530148 377060584 /nfs/dbraw/zinc/06/05/84/377060584.db2.gz FXYORYDIAHYBBX-CYBMUJFWSA-N 0 3 296.436 2.554 20 30 CFEDHN C=C(C)COCCNCc1cnc(N(CC)CC)s1 ZINC000125786576 377191259 /nfs/dbraw/zinc/19/12/59/377191259.db2.gz PCYSTNORKYIROR-UHFFFAOYSA-N 0 3 283.441 2.672 20 30 CFEDHN C=C(C)COCCNCc1c[nH]nc1-c1cccs1 ZINC000125801872 377193815 /nfs/dbraw/zinc/19/38/15/377193815.db2.gz OEBXCFWIEKCZCZ-UHFFFAOYSA-N 0 3 277.393 2.821 20 30 CFEDHN C[C@H]1C[C@H](NC2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603607 377289423 /nfs/dbraw/zinc/28/94/23/377289423.db2.gz ACRYBZNZIUUPAX-DLCANAPRSA-N 0 3 295.430 2.825 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(Cl)nc1 ZINC000130005821 377499617 /nfs/dbraw/zinc/49/96/17/377499617.db2.gz WOSYVHHJBACBAJ-JTQLQIEISA-N 0 3 254.786 2.752 20 30 CFEDHN C[C@@H](N[C@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000130318905 377535771 /nfs/dbraw/zinc/53/57/71/377535771.db2.gz SOFJTRHWUARTHM-CJNGLKHVSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCOCCNCc1ccc(OCC(F)F)cc1 ZINC000679487175 542197342 /nfs/dbraw/zinc/19/73/42/542197342.db2.gz YLZGYWBRIINRFQ-UHFFFAOYSA-N 0 3 271.307 2.623 20 30 CFEDHN C=CCOCCN[C@@H](C)c1sc(CC)nc1C ZINC000679576544 542211219 /nfs/dbraw/zinc/21/12/19/542211219.db2.gz PCKXRINYVQVHLV-JTQLQIEISA-N 0 3 254.399 2.867 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000679576931 542211335 /nfs/dbraw/zinc/21/13/35/542211335.db2.gz YYVHKAMOSYPZPL-LBPRGKRZSA-N 0 3 292.379 2.507 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000679576335 542211376 /nfs/dbraw/zinc/21/13/76/542211376.db2.gz NOPWAFDSNLOXEY-LBPRGKRZSA-N 0 3 288.391 2.770 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NCCN1CCCC[C@H]1C ZINC000432094736 383721806 /nfs/dbraw/zinc/72/18/06/383721806.db2.gz VJFWOTHWWQWQTC-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H]1CCCCN1CC ZINC000132439374 377839662 /nfs/dbraw/zinc/83/96/62/377839662.db2.gz OFGNOZIFRJJDSR-OAHLLOKOSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCC[C@@H](O)CN(CCCO)Cc1cccc(Cl)c1 ZINC000134281642 377997931 /nfs/dbraw/zinc/99/79/31/377997931.db2.gz PLHHUIKELOSVLU-MRXNPFEDSA-N 0 3 297.826 2.852 20 30 CFEDHN C=C(Cl)CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134922738 378064132 /nfs/dbraw/zinc/06/41/32/378064132.db2.gz VMOHTOQKMRRLDG-TZMCWYRMSA-N 0 3 254.805 2.688 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(OC)c(C#N)c1 ZINC000135074404 378080358 /nfs/dbraw/zinc/08/03/58/378080358.db2.gz CKKZAVCNUGOHJX-UHFFFAOYSA-N 0 3 276.380 2.551 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)N(CC)CCC#N ZINC000135325270 378116699 /nfs/dbraw/zinc/11/66/99/378116699.db2.gz ZVBKADSOZJKTSG-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)c1cccs1 ZINC000135127549 378086872 /nfs/dbraw/zinc/08/68/72/378086872.db2.gz DJYJLSNTUAMKKP-CYBMUJFWSA-N 0 3 275.377 2.605 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC1CC1 ZINC000135254172 378105186 /nfs/dbraw/zinc/10/51/86/378105186.db2.gz ZTUDXCBDVWOHPO-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN CC(C)n1cnnc1[C@H]1CCCN(CCCCC#N)C1 ZINC000136059787 378178207 /nfs/dbraw/zinc/17/82/07/378178207.db2.gz NIBGJBXUIJENEE-AWEZNQCLSA-N 0 3 275.400 2.732 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000148078845 378254901 /nfs/dbraw/zinc/25/49/01/378254901.db2.gz CUDDOGQQVBTQJA-NWANDNLSSA-N 0 3 283.375 2.617 20 30 CFEDHN COC(C)(C)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000151146779 378301211 /nfs/dbraw/zinc/30/12/11/378301211.db2.gz QCUUIVPJWYQGFZ-LLVKDONJSA-N 0 3 264.344 2.991 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cnn(C)c1)C(C)C ZINC000152069780 378388968 /nfs/dbraw/zinc/38/89/68/378388968.db2.gz MOFITHGICZTAHM-NVXWUHKLSA-N 0 3 290.455 2.769 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cnn(C)c1)C(C)C ZINC000152069693 378389918 /nfs/dbraw/zinc/38/99/18/378389918.db2.gz MOFITHGICZTAHM-RDJZCZTQSA-N 0 3 290.455 2.769 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H]2CCC[C@@H]2C1 ZINC000153268776 378483816 /nfs/dbraw/zinc/48/38/16/378483816.db2.gz PKPSDIUZRXUVRW-RRFJBIMHSA-N 0 3 264.413 2.531 20 30 CFEDHN Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)n1 ZINC000329797608 378497686 /nfs/dbraw/zinc/49/76/86/378497686.db2.gz FTICXHRGPQLXLZ-PSOPSSQASA-N 0 3 290.411 2.500 20 30 CFEDHN NC(=O)[C@@H]1CCC[C@@H](C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000329887329 378510159 /nfs/dbraw/zinc/51/01/59/378510159.db2.gz XGTSYMSYWZEYAA-VXGBXAGGSA-N 0 3 293.411 2.911 20 30 CFEDHN CCc1noc(C)c1C(=O)NC[C@H]1CCCN1CC(C)C ZINC000330416963 378549580 /nfs/dbraw/zinc/54/95/80/378549580.db2.gz VJGZBRGHYKKFJT-CYBMUJFWSA-N 0 3 293.411 2.970 20 30 CFEDHN C=CCN(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154215674 378549687 /nfs/dbraw/zinc/54/96/87/378549687.db2.gz FJGKCNPMWFDUPI-OAHLLOKOSA-N 0 3 290.382 2.682 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(C#N)cc2)n1 ZINC000155396216 378625970 /nfs/dbraw/zinc/62/59/70/378625970.db2.gz CIIRKBREADAWNX-LBPRGKRZSA-N 0 3 282.328 2.569 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC(C)C)CC1 ZINC000155711252 378630594 /nfs/dbraw/zinc/63/05/94/378630594.db2.gz DIQNDGVTNIOFSR-AWEZNQCLSA-N 0 3 281.444 2.761 20 30 CFEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(C#N)cc2)sc1C ZINC000155651092 378630750 /nfs/dbraw/zinc/63/07/50/378630750.db2.gz ZEGYGAWXJMOQKP-CYBMUJFWSA-N 0 3 296.355 2.878 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1C(C)(C)C ZINC000330622916 378591281 /nfs/dbraw/zinc/59/12/81/378591281.db2.gz OTJOAXXAPBQNQC-XJKSGUPXSA-N 0 3 279.428 2.551 20 30 CFEDHN CC[C@H](C)NC(=O)CCNC1CC(C#N)(c2ccccc2)C1 ZINC000158476884 378670127 /nfs/dbraw/zinc/67/01/27/378670127.db2.gz CLPLKQUWAUIQPB-NXVRBGIVSA-N 0 3 299.418 2.505 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@]2(CCN(CCCC#N)C2)C1 ZINC000158636356 378671249 /nfs/dbraw/zinc/67/12/49/378671249.db2.gz BJIMAKWSJFTMAR-INIZCTEOSA-N 0 3 293.411 2.623 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1C(C)(C)CC ZINC000156887451 378647527 /nfs/dbraw/zinc/64/75/27/378647527.db2.gz AZPQKKGOOHXHMU-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccc1C#N ZINC000160229644 378758225 /nfs/dbraw/zinc/75/82/25/378758225.db2.gz QWFMCFMNTWGMMQ-YOEHRIQHSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@H]1CCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000332177631 378733070 /nfs/dbraw/zinc/73/30/70/378733070.db2.gz MMJNAHMRQOWSSE-SMDDNHRTSA-N 0 3 282.347 2.886 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H](C)N2CCC[C@H](C)C2)n1 ZINC000160593361 378784579 /nfs/dbraw/zinc/78/45/79/378784579.db2.gz BOABUAFORRTFJA-JSGCOSHPSA-N 0 3 272.396 2.794 20 30 CFEDHN CC1(C)CC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000333451096 378823200 /nfs/dbraw/zinc/82/32/00/378823200.db2.gz NRQYJMCVZIYHMW-MRXNPFEDSA-N 0 3 297.402 2.832 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1C#N ZINC000161301544 378837601 /nfs/dbraw/zinc/83/76/01/378837601.db2.gz LEARTCXGESHCKZ-SJORKVTESA-N 0 3 287.382 2.756 20 30 CFEDHN C=C(Cl)CN[C@H]1CCc2ccc(OC)cc2C1 ZINC000163369303 378967438 /nfs/dbraw/zinc/96/74/38/378967438.db2.gz IIHINSDOEBOEMZ-ZDUSSCGKSA-N 0 3 251.757 2.895 20 30 CFEDHN N#Cc1cccc(C2(NCCO[C@H]3CCCCO3)CC2)c1 ZINC000278625958 194074583 /nfs/dbraw/zinc/07/45/83/194074583.db2.gz GCRHVLMYSIDPCU-INIZCTEOSA-N 0 3 286.375 2.680 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000165717955 379040823 /nfs/dbraw/zinc/04/08/23/379040823.db2.gz NXDARYWHUXDLSU-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166535414 379057074 /nfs/dbraw/zinc/05/70/74/379057074.db2.gz PIWWFTCNZOPPDG-CQSZACIVSA-N 0 3 288.351 2.753 20 30 CFEDHN CC#CCCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000166299970 379052653 /nfs/dbraw/zinc/05/26/53/379052653.db2.gz PMBZDJLMNXOIRS-UHFFFAOYSA-N 0 3 267.756 2.860 20 30 CFEDHN C=C(C)COCCN[C@@H](CC)c1ccc(F)cn1 ZINC000166164361 379052877 /nfs/dbraw/zinc/05/28/77/379052877.db2.gz FSYIESGIWRIYGI-ZDUSSCGKSA-N 0 3 252.333 2.854 20 30 CFEDHN Cc1ccccc1[C@@]1(F)CCN(C(=O)C(C)C#N)C1 ZINC000334374845 379183404 /nfs/dbraw/zinc/18/34/04/379183404.db2.gz DADOJNRAIBFFFJ-IUODEOHRSA-N 0 3 260.312 2.552 20 30 CFEDHN CCN(CC)C(=O)[C@H](NCCCCC#N)c1ccccc1 ZINC000171034592 379216342 /nfs/dbraw/zinc/21/63/42/379216342.db2.gz VNCZZKIUEQIRGU-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000171550151 379334723 /nfs/dbraw/zinc/33/47/23/379334723.db2.gz DRXGBNCJLOFIFM-AWEZNQCLSA-N 0 3 287.407 2.697 20 30 CFEDHN Cn1nccc1[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000334460784 379339588 /nfs/dbraw/zinc/33/95/88/379339588.db2.gz NVUIXCFVXPXYDE-CYBMUJFWSA-N 0 3 286.404 2.733 20 30 CFEDHN Cc1cc(CN2CCC(c3ncc[nH]3)CC2)ccc1C#N ZINC000334493068 379386051 /nfs/dbraw/zinc/38/60/51/379386051.db2.gz BCTTWEBYJRCNTG-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN C[C@H]1N(Cc2ccccc2C#N)CCC12CCOCC2 ZINC000335467981 379349282 /nfs/dbraw/zinc/34/92/82/379349282.db2.gz PIUWEYANFLYMBA-CQSZACIVSA-N 0 3 270.376 2.949 20 30 CFEDHN CC(=O)c1ccc2c(c1)CCN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000334473210 379360092 /nfs/dbraw/zinc/36/00/92/379360092.db2.gz IYOZHIVFVVJGKB-KBXCAEBGSA-N 0 3 282.387 2.982 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H](C)N1C ZINC000334476824 379367119 /nfs/dbraw/zinc/36/71/19/379367119.db2.gz OCTBTGYLOKGPOD-OKILXGFUSA-N 0 3 276.811 2.716 20 30 CFEDHN CC(C)[C@@H]1N(Cc2cc(C#N)n(C)c2)CC12CCOCC2 ZINC000335636318 379638376 /nfs/dbraw/zinc/63/83/76/379638376.db2.gz GPYWIOJXKQMLAQ-INIZCTEOSA-N 0 3 287.407 2.534 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2CCC[C@H]2O)ccc1OC ZINC000172633091 379610874 /nfs/dbraw/zinc/61/08/74/379610874.db2.gz WLNXSXXPIYWNJJ-HUUCEWRRSA-N 0 3 291.391 2.653 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000335699125 379744641 /nfs/dbraw/zinc/74/46/41/379744641.db2.gz BSPZBYNNGYYOCG-CQSZACIVSA-N 0 3 282.318 2.660 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc(-n3cccn3)cc2)o1 ZINC000174260506 379851689 /nfs/dbraw/zinc/85/16/89/379851689.db2.gz STGSWGRLCICPKU-UHFFFAOYSA-N 0 3 292.342 2.669 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN(c3ccccc3)C2)o1 ZINC000174265473 379853746 /nfs/dbraw/zinc/85/37/46/379853746.db2.gz HLGLPDSRPONMEN-AWEZNQCLSA-N 0 3 281.359 2.767 20 30 CFEDHN C[C@H](Cc1ccc(O)cc1)NCc1ccc(C#N)o1 ZINC000174351374 379869633 /nfs/dbraw/zinc/86/96/33/379869633.db2.gz MQFQTOYZYXNSRS-LLVKDONJSA-N 0 3 256.305 2.578 20 30 CFEDHN C[C@H](CN1C[C@@H](C)C[C@H](C)C1)NCc1ccc(C#N)o1 ZINC000174302628 379860783 /nfs/dbraw/zinc/86/07/83/379860783.db2.gz UQJLSLCFPYPFNB-MELADBBJSA-N 0 3 275.396 2.607 20 30 CFEDHN COc1ccc(OC)c(CCNCc2ccc(C#N)o2)c1 ZINC000174311304 379863252 /nfs/dbraw/zinc/86/32/52/379863252.db2.gz JQLPHIGEGGNMGE-UHFFFAOYSA-N 0 3 286.331 2.501 20 30 CFEDHN CCc1nc2c(s1)[C@@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000335774891 379867593 /nfs/dbraw/zinc/86/75/93/379867593.db2.gz VKKCMSCRSHBGKS-ONGXEEELSA-N 0 3 277.393 2.701 20 30 CFEDHN COc1ccccc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000335143301 379982735 /nfs/dbraw/zinc/98/27/35/379982735.db2.gz JCKQBDZEASRUNR-YPMHNXCESA-N 0 3 258.321 2.518 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000335077614 379968041 /nfs/dbraw/zinc/96/80/41/379968041.db2.gz UQGGYKRPPLUXFW-CHWSQXEVSA-N 0 3 252.402 2.530 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000335083491 379969167 /nfs/dbraw/zinc/96/91/67/379969167.db2.gz AUOWGHLOCUBCGS-PWSUYJOCSA-N 0 3 262.740 2.816 20 30 CFEDHN C=CCCCC(=O)NCc1ccccc1CN(C)C ZINC000175130863 380003639 /nfs/dbraw/zinc/00/36/39/380003639.db2.gz DUQDAUNWWOYPQO-UHFFFAOYSA-N 0 3 260.381 2.721 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000335864279 380015449 /nfs/dbraw/zinc/01/54/49/380015449.db2.gz RNSIVLQBITZRPH-GJZGRUSLSA-N 0 3 274.339 2.556 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000335865225 380016961 /nfs/dbraw/zinc/01/69/61/380016961.db2.gz HOOYHOQLUDCNIP-JGVFFNPUSA-N 0 3 299.143 2.925 20 30 CFEDHN CC(C(=O)Nc1nc2c(cc1C#N)CCCC2)C(F)(F)F ZINC000335871947 380028994 /nfs/dbraw/zinc/02/89/94/380028994.db2.gz SRQFSTCHJUIZAE-QMMMGPOBSA-N 0 3 297.280 2.969 20 30 CFEDHN CC1(C)OCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000335919723 380108332 /nfs/dbraw/zinc/10/83/32/380108332.db2.gz DXZWUNMUYMVMAJ-ZDUSSCGKSA-N 0 3 264.756 2.869 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1CCCC12CCOCC2 ZINC000336325213 380318584 /nfs/dbraw/zinc/31/85/84/380318584.db2.gz BSCGBEVYGROTEK-MRXNPFEDSA-N 0 3 270.376 2.997 20 30 CFEDHN OC1(CNCC#Cc2cccc(C(F)(F)F)c2)CCC1 ZINC000571993976 383744998 /nfs/dbraw/zinc/74/49/98/383744998.db2.gz IKDUTOBFFBQYFQ-UHFFFAOYSA-N 0 3 283.293 2.562 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000336350314 380327794 /nfs/dbraw/zinc/32/77/94/380327794.db2.gz QLVMETNLIQJNID-QMMMGPOBSA-N 0 3 254.692 2.597 20 30 CFEDHN C[C@@H]1COCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000336378752 380335470 /nfs/dbraw/zinc/33/54/70/380335470.db2.gz OQZNLAMJNJQVQK-AWEZNQCLSA-N 0 3 272.392 2.956 20 30 CFEDHN C[C@H](CNC(=O)c1cscc1C#N)N1CCCC[C@H]1C ZINC000432391811 383744654 /nfs/dbraw/zinc/74/46/54/383744654.db2.gz NVTFTPGFNJVWBF-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000336393723 380338449 /nfs/dbraw/zinc/33/84/49/380338449.db2.gz NKZKGVYKUBJTKI-CJNGLKHVSA-N 0 3 256.349 2.726 20 30 CFEDHN N#Cc1csc(CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000336492322 380360040 /nfs/dbraw/zinc/36/00/40/380360040.db2.gz OVOCXQITXYEVNK-CQSZACIVSA-N 0 3 276.405 2.868 20 30 CFEDHN C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000336517412 380398029 /nfs/dbraw/zinc/39/80/29/380398029.db2.gz IRNHUNDMEPXWQL-CQSZACIVSA-N 0 3 297.402 2.505 20 30 CFEDHN C=CCN(CC=C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179463470 380546915 /nfs/dbraw/zinc/54/69/15/380546915.db2.gz OSWPBADOBHOMRJ-SJORKVTESA-N 0 3 299.418 2.815 20 30 CFEDHN C=CCOc1ccccc1CNC[C@](C)(O)C1CC1 ZINC000336814709 380676420 /nfs/dbraw/zinc/67/64/20/380676420.db2.gz GGPGNROLULCABW-INIZCTEOSA-N 0 3 261.365 2.502 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(C)C#N ZINC000529701386 383749018 /nfs/dbraw/zinc/74/90/18/383749018.db2.gz FXLPMPQPRJYLBF-NVXWUHKLSA-N 0 3 299.418 2.515 20 30 CFEDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000279167425 194314237 /nfs/dbraw/zinc/31/42/37/194314237.db2.gz BPVSALQQNCGUKU-JQWIXIFHSA-N 0 3 277.393 2.727 20 30 CFEDHN N#Cc1ccc(CN2CCC(NCc3ccco3)CC2)cc1 ZINC000181393176 380785313 /nfs/dbraw/zinc/78/53/13/380785313.db2.gz QPSIWICEDMYVAK-UHFFFAOYSA-N 0 3 295.386 2.905 20 30 CFEDHN C[C@H](NCc1ccc(NC(N)=O)cc1)c1cccc(C#N)c1 ZINC000181458052 380796721 /nfs/dbraw/zinc/79/67/21/380796721.db2.gz FNFPZSUFCZHPIW-LBPRGKRZSA-N 0 3 294.358 2.900 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287327887 380806555 /nfs/dbraw/zinc/80/65/55/380806555.db2.gz KIZAEPBKCGBHOE-WMLDXEAASA-N 0 3 297.402 2.564 20 30 CFEDHN N#Cc1ccc(CN2CCC(NCc3ccoc3)CC2)cc1 ZINC000181554176 380825314 /nfs/dbraw/zinc/82/53/14/380825314.db2.gz QDLRUAIJKAQGGK-UHFFFAOYSA-N 0 3 295.386 2.905 20 30 CFEDHN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)c1ccccc1 ZINC000181531430 380817893 /nfs/dbraw/zinc/81/78/93/380817893.db2.gz UPUQHZOHCYNSEA-IYOUNJFTSA-N 0 3 299.418 2.577 20 30 CFEDHN C=CCC[C@@H](C)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287522465 380854179 /nfs/dbraw/zinc/85/41/79/380854179.db2.gz ZUELSIUKBBBTMO-HUUCEWRRSA-N 0 3 290.407 2.941 20 30 CFEDHN C[C@@H](C(=O)NCC1CCC(C#N)CC1)N1CCCCCC1 ZINC000408425464 380926822 /nfs/dbraw/zinc/92/68/22/380926822.db2.gz LVJSNWXIQFWMHO-FHERZECASA-N 0 3 291.439 2.697 20 30 CFEDHN COCCCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000404075720 380899322 /nfs/dbraw/zinc/89/93/22/380899322.db2.gz NGNCTEROUSGUAD-UHFFFAOYSA-N 0 3 250.317 2.556 20 30 CFEDHN C[C@@H](CN1CCCCC1)NCc1ccc(C#N)c(F)c1 ZINC000404094534 380900127 /nfs/dbraw/zinc/90/01/27/380900127.db2.gz AAUIYYFMLQMPNA-ZDUSSCGKSA-N 0 3 275.371 2.661 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1CCCCO1 ZINC000404085250 380900430 /nfs/dbraw/zinc/90/04/30/380900430.db2.gz QZUJYZDHGHFWKE-XHDPSFHLSA-N 0 3 262.328 2.745 20 30 CFEDHN COC[C@]1(C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000404073422 380900711 /nfs/dbraw/zinc/90/07/11/380900711.db2.gz PUMXLPYKJIJLBQ-OAHLLOKOSA-N 0 3 262.328 2.556 20 30 CFEDHN COC(C)(C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404821073 380905610 /nfs/dbraw/zinc/90/56/10/380905610.db2.gz DMVRHHVIICDJFA-JTQLQIEISA-N 0 3 250.317 2.600 20 30 CFEDHN Cc1noc(CCCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000358565782 380931039 /nfs/dbraw/zinc/93/10/39/380931039.db2.gz AIVKYAQGAODMCI-SNVBAGLBSA-N 0 3 288.326 2.672 20 30 CFEDHN CC(C)OC(=O)C[C@H](NCCCC#N)c1ccccc1 ZINC000181830199 380907867 /nfs/dbraw/zinc/90/78/67/380907867.db2.gz GPGZSWURRNGIHU-HNNXBMFYSA-N 0 3 274.364 2.963 20 30 CFEDHN C=C(CNC(=O)N(C)[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000358591641 380954195 /nfs/dbraw/zinc/95/41/95/380954195.db2.gz PLEKZYUPLUFNKY-KRWDZBQOSA-N 0 3 299.418 2.578 20 30 CFEDHN C=C(CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccccc1 ZINC000287862983 380958702 /nfs/dbraw/zinc/95/87/02/380958702.db2.gz DAGOSKLKXGFCKE-GOEBONIOSA-N 0 3 299.418 2.624 20 30 CFEDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccccc2C#N)C1 ZINC000368282510 380981896 /nfs/dbraw/zinc/98/18/96/380981896.db2.gz SSNPVQPPKDWLSP-MRXNPFEDSA-N 0 3 289.354 2.709 20 30 CFEDHN CCOCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358569367 380938064 /nfs/dbraw/zinc/93/80/64/380938064.db2.gz MIISYBRJRKEHHE-LLVKDONJSA-N 0 3 250.317 2.775 20 30 CFEDHN C[C@@H](NCCCc1cnn(C)c1)c1ccc(C#N)cc1F ZINC000358581752 380947193 /nfs/dbraw/zinc/94/71/93/380947193.db2.gz ZJOCKPYIGBPRCK-GFCCVEGCSA-N 0 3 286.354 2.714 20 30 CFEDHN COc1cc2c(cc1OC)CCN([C@H](C)CCC#N)CC2 ZINC000411185912 381015315 /nfs/dbraw/zinc/01/53/15/381015315.db2.gz OJVAZISZJIWNAW-CYBMUJFWSA-N 0 3 288.391 2.797 20 30 CFEDHN C=CCN(CCC1(O)CCC1)Cc1ccc(OC)cc1 ZINC000411177749 381016761 /nfs/dbraw/zinc/01/67/61/381016761.db2.gz KGJGFMJMKILFSM-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N(C)CCCN1CCCC1 ZINC000358691512 381018514 /nfs/dbraw/zinc/01/85/14/381018514.db2.gz XKFZIYLTHNKNRU-UHFFFAOYSA-N 0 3 285.391 2.683 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000411267441 381020927 /nfs/dbraw/zinc/02/09/27/381020927.db2.gz RNVXMHRZDRWWDU-KGLIPLIRSA-N 0 3 279.428 2.553 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000411267443 381021566 /nfs/dbraw/zinc/02/15/66/381021566.db2.gz RNVXMHRZDRWWDU-UONOGXRCSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CC(C)(C)C(=O)Nc1ccccc1CCN(C)C ZINC000295703419 381025119 /nfs/dbraw/zinc/02/51/19/381025119.db2.gz UFEIDGBCXAYYLP-UHFFFAOYSA-N 0 3 260.381 2.941 20 30 CFEDHN CN(CCN(C)C1CC1)CCC1(C#N)CCCCC1 ZINC000411542380 381032009 /nfs/dbraw/zinc/03/20/09/381032009.db2.gz IHVSNPRBQKEVEE-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN CCc1nn(C)c(CC)c1CNCCc1cccc(C#N)c1 ZINC000341470796 381032181 /nfs/dbraw/zinc/03/21/81/381032181.db2.gz BNAKZDHNOMUUGR-UHFFFAOYSA-N 0 3 296.418 2.749 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411449264 381029560 /nfs/dbraw/zinc/02/95/60/381029560.db2.gz SJXGAVCITVZKHX-UHFFFAOYSA-N 0 3 289.335 2.574 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000411508300 381030037 /nfs/dbraw/zinc/03/00/37/381030037.db2.gz SDUDXRUFQABFPR-UKRRQHHQSA-N 0 3 268.364 2.975 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288192661 381006997 /nfs/dbraw/zinc/00/69/97/381006997.db2.gz QGXCFUWDXDWMMM-LZWOXQAQSA-N 0 3 289.423 2.942 20 30 CFEDHN CCc1ncc(CNCCc2cccc(C#N)c2)s1 ZINC000341496126 381048928 /nfs/dbraw/zinc/04/89/28/381048928.db2.gz ZMZXWBIGBCOUBP-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN CC[C@H](NCc1cc(C#N)ccc1OC)[C@H]1CCCO1 ZINC000182356206 381073997 /nfs/dbraw/zinc/07/39/97/381073997.db2.gz MMHGUIGVLVKTNW-GOEBONIOSA-N 0 3 274.364 2.614 20 30 CFEDHN C#C[C@H](NCc1ccc(-c2cnn(C)c2)s1)C(C)C ZINC000289592396 381060265 /nfs/dbraw/zinc/06/02/65/381060265.db2.gz UPXMHPHGVDUNIT-AWEZNQCLSA-N 0 3 273.405 2.896 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1csc(COC)n1 ZINC000289605146 381062892 /nfs/dbraw/zinc/06/28/92/381062892.db2.gz CVFQQBNIPFKGSI-WDEREUQCSA-N 0 3 254.399 2.980 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C)cc1 ZINC000182324071 381063655 /nfs/dbraw/zinc/06/36/55/381063655.db2.gz JJKAWLXAYDAADX-CABCVRRESA-N 0 3 287.407 2.654 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@@H](C)OC)cc1OC ZINC000289614805 381068232 /nfs/dbraw/zinc/06/82/32/381068232.db2.gz LHUITJZHNKWGBQ-CYBMUJFWSA-N 0 3 279.380 2.727 20 30 CFEDHN C[C@@H](CNc1nccc(C#N)c1Cl)N1CCCC[C@H]1C ZINC000341533859 381070716 /nfs/dbraw/zinc/07/07/16/381070716.db2.gz OGPVDVRDLKIEPV-NEPJUHHUSA-N 0 3 292.814 2.703 20 30 CFEDHN C=CC[C@@H](CC)NCc1cnc(C2OCCO2)s1 ZINC000289623139 381072342 /nfs/dbraw/zinc/07/23/42/381072342.db2.gz KBENWBUDTGKENJ-SNVBAGLBSA-N 0 3 268.382 2.633 20 30 CFEDHN C#C[C@@H](NCc1c(C)nn(-c2ccccn2)c1C)C(C)C ZINC000289554369 381038374 /nfs/dbraw/zinc/03/83/74/381038374.db2.gz RIPKASBZZZCSRX-MRXNPFEDSA-N 0 3 282.391 2.632 20 30 CFEDHN C[C@H](NCCc1cccc(C#N)c1)c1cncc(F)c1 ZINC000341480433 381038932 /nfs/dbraw/zinc/03/89/32/381038932.db2.gz IMYLDFXSTPRCIT-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccccc1C(F)(F)F ZINC000289638767 381081899 /nfs/dbraw/zinc/08/18/99/381081899.db2.gz FOSAJRSPKYNPAO-ZJUUUORDSA-N 0 3 259.271 2.903 20 30 CFEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289652962 381085037 /nfs/dbraw/zinc/08/50/37/381085037.db2.gz YECHQRUTEBFHLL-GHMZBOCLSA-N 0 3 264.756 2.668 20 30 CFEDHN OC[C@@H](NCC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000289704091 381110695 /nfs/dbraw/zinc/11/06/95/381110695.db2.gz YEPLUJUVSGHSSJ-MRXNPFEDSA-N 0 3 277.795 2.832 20 30 CFEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000412037097 381115405 /nfs/dbraw/zinc/11/54/05/381115405.db2.gz NABZRLGDVINHAJ-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1ccc(F)c(C#N)c1)C1CC1 ZINC000411976434 381077726 /nfs/dbraw/zinc/07/77/26/381077726.db2.gz WQBOKTKRCOJGIS-BDJLRTHQSA-N 0 3 276.355 2.991 20 30 CFEDHN CCSCCN(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000289756314 381138343 /nfs/dbraw/zinc/13/83/43/381138343.db2.gz JKSRDJZNWRSJMD-UHFFFAOYSA-N 0 3 291.464 2.675 20 30 CFEDHN C=CCC[C@H](O)CNC1(c2ccc(OC)cc2)CC1 ZINC000341680396 381168055 /nfs/dbraw/zinc/16/80/55/381168055.db2.gz CTYJMGMOUSIHHB-AWEZNQCLSA-N 0 3 261.365 2.601 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000347466584 381168189 /nfs/dbraw/zinc/16/81/89/381168189.db2.gz SDJVSWFDOCBLAB-XHDPSFHLSA-N 0 3 271.364 2.655 20 30 CFEDHN C[C@@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182817785 381166208 /nfs/dbraw/zinc/16/62/08/381166208.db2.gz ODUWDIHMTVHUHJ-CZUORRHYSA-N 0 3 283.375 2.538 20 30 CFEDHN CC#CCCNCc1ccc(OC)cc1OC(F)F ZINC000354179681 381123906 /nfs/dbraw/zinc/12/39/06/381123906.db2.gz ODGURSWXNWKHMR-UHFFFAOYSA-N 0 3 269.291 2.800 20 30 CFEDHN C#Cc1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000369148433 381203071 /nfs/dbraw/zinc/20/30/71/381203071.db2.gz TWAOPFRJPFDNJK-UHFFFAOYSA-N 0 3 265.360 2.702 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359003826 381209310 /nfs/dbraw/zinc/20/93/10/381209310.db2.gz OKWYJCWJEFBIFB-BBRMVZONSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCc1cc(CN[C@H](C)[C@@H](C)OC)cc(OC)c1O ZINC000289933470 381222774 /nfs/dbraw/zinc/22/27/74/381222774.db2.gz WHZAKDBYRUQTJL-VXGBXAGGSA-N 0 3 279.380 2.642 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cc(Br)cs1 ZINC000289952049 381231876 /nfs/dbraw/zinc/23/18/76/381231876.db2.gz WLNPLJHLVUOIAW-VXNVDRBHSA-N 0 3 276.199 2.708 20 30 CFEDHN CCCN1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000369334796 381239082 /nfs/dbraw/zinc/23/90/82/381239082.db2.gz IWNHLPZOENEONV-BQYQJAHWSA-N 0 3 297.402 2.516 20 30 CFEDHN N#Cc1cccc(OCCCN2CCC[C@H]3OCC[C@H]32)c1 ZINC000369555745 381287018 /nfs/dbraw/zinc/28/70/18/381287018.db2.gz GHUHTKPGJAPFNV-IAGOWNOFSA-N 0 3 286.375 2.580 20 30 CFEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000347687594 381298781 /nfs/dbraw/zinc/29/87/81/381298781.db2.gz JCIKWJZTMYNJIJ-GASCZTMLSA-N 0 3 274.383 2.592 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296217113 381305076 /nfs/dbraw/zinc/30/50/76/381305076.db2.gz KAIIZYBODAQONT-CABCVRRESA-N 0 3 283.799 2.632 20 30 CFEDHN C#CCSCCNCc1cn(C)nc1C1CCCCC1 ZINC000183806020 381322860 /nfs/dbraw/zinc/32/28/60/381322860.db2.gz QBUDULCKUKSMOJ-UHFFFAOYSA-N 0 3 291.464 2.924 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2ccccc2)C[C@@H]1CC ZINC000184014377 381355382 /nfs/dbraw/zinc/35/53/82/381355382.db2.gz XWLICMCYNAALDA-FUHWJXTLSA-N 0 3 288.435 2.914 20 30 CFEDHN C=CCCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290272700 381366013 /nfs/dbraw/zinc/36/60/13/381366013.db2.gz AHWDQYAJCSSPDW-AWEZNQCLSA-N 0 3 264.344 2.511 20 30 CFEDHN C#CCCOc1ccc(CN2CCC(C)(CO)CC2)cc1 ZINC000184070530 381366678 /nfs/dbraw/zinc/36/66/78/381366678.db2.gz PIGQNRRSLGBRQZ-UHFFFAOYSA-N 0 3 287.403 2.683 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000184076560 381367953 /nfs/dbraw/zinc/36/79/53/381367953.db2.gz MSLFWOBWZNMGAU-WBVHZDCISA-N 0 3 286.419 2.979 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(C(=O)OCC(C)C)CC1 ZINC000184087344 381368445 /nfs/dbraw/zinc/36/84/45/381368445.db2.gz OSYFOUHHUCYKGV-CYBMUJFWSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCCCCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290348479 381394476 /nfs/dbraw/zinc/39/44/76/381394476.db2.gz FVRCTVALPKRTRS-MRXNPFEDSA-N 0 3 290.382 2.738 20 30 CFEDHN CC[C@H](N[C@H](C)c1cccc(C#N)c1)[C@H](O)C(F)F ZINC000296493894 381420156 /nfs/dbraw/zinc/42/01/56/381420156.db2.gz OTUOLRWUHIMDFB-ICCXJUOJSA-N 0 3 268.307 2.613 20 30 CFEDHN C=C(C)CN(CCn1cccn1)Cc1ccccc1 ZINC000348220656 381472703 /nfs/dbraw/zinc/47/27/03/381472703.db2.gz CJQJFXSOLGBVMH-UHFFFAOYSA-N 0 3 255.365 2.961 20 30 CFEDHN C=CCOCCCN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348234286 381473556 /nfs/dbraw/zinc/47/35/56/381473556.db2.gz AWPSUAVKTADFDV-GHMZBOCLSA-N 0 3 251.292 2.852 20 30 CFEDHN COc1cc(CN2CCC[C@@]2(C)CCCO)ccc1C#N ZINC000290565367 381481462 /nfs/dbraw/zinc/48/14/62/381481462.db2.gz SRNFREXYQRWWNT-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN CC1(C)C(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1(C)C ZINC000348294287 381483571 /nfs/dbraw/zinc/48/35/71/381483571.db2.gz RAFXTSPRCCRWIY-AWEZNQCLSA-N 0 3 295.386 2.791 20 30 CFEDHN C=CCOCCCN[C@@H](COC)c1ccc(F)cc1 ZINC000348034111 381454582 /nfs/dbraw/zinc/45/45/82/381454582.db2.gz NMAWYANSBZAIBW-HNNXBMFYSA-N 0 3 267.344 2.696 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC2(CCC2)C1 ZINC000348172522 381467142 /nfs/dbraw/zinc/46/71/42/381467142.db2.gz XVVXQJORMLDZLC-OAHLLOKOSA-N 0 3 276.424 2.842 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359556284 381467605 /nfs/dbraw/zinc/46/76/05/381467605.db2.gz LXWAHFJZJLTJMJ-UXLLHSPISA-N 0 3 291.439 2.507 20 30 CFEDHN C=CCOCCCN(C)Cc1cc(F)cc(F)c1 ZINC000348193459 381470010 /nfs/dbraw/zinc/47/00/10/381470010.db2.gz MRXFTRHVZTUKLV-UHFFFAOYSA-N 0 3 255.308 2.989 20 30 CFEDHN C=CCOc1cccc(CN(C)CCCn2ccnc2)c1 ZINC000290643632 381508482 /nfs/dbraw/zinc/50/84/82/381508482.db2.gz YPKYFSPCACAOOR-UHFFFAOYSA-N 0 3 285.391 2.970 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000370865631 381509643 /nfs/dbraw/zinc/50/96/43/381509643.db2.gz WSDIXPCLXYTFQK-GVDBMIGSSA-N 0 3 287.378 2.923 20 30 CFEDHN CC(C)(C#N)CCCN[C@@H](CO)c1ccc(F)cc1 ZINC000359619784 381512085 /nfs/dbraw/zinc/51/20/85/381512085.db2.gz WAIZXJJTOISALE-AWEZNQCLSA-N 0 3 264.344 2.779 20 30 CFEDHN C=CCCC1(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)CC1 ZINC000342759128 381521154 /nfs/dbraw/zinc/52/11/54/381521154.db2.gz OROSQHDACSOVFZ-HUUCEWRRSA-N 0 3 276.424 2.818 20 30 CFEDHN C[C@H](O)CCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000354871651 381498626 /nfs/dbraw/zinc/49/86/26/381498626.db2.gz NUGSRUOKGBKAPW-ZDUSSCGKSA-N 0 3 258.365 2.684 20 30 CFEDHN C#CCC(C)(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000184953830 381500614 /nfs/dbraw/zinc/50/06/14/381500614.db2.gz BTIAKHJSIQVINA-UHFFFAOYSA-N 0 3 286.419 2.674 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000342723913 381502363 /nfs/dbraw/zinc/50/23/63/381502363.db2.gz FFGOBXIGACJYRF-WDEREUQCSA-N 0 3 284.787 2.579 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000342723883 381502487 /nfs/dbraw/zinc/50/24/87/381502487.db2.gz FFGOBXIGACJYRF-GHMZBOCLSA-N 0 3 284.787 2.579 20 30 CFEDHN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)[C@H]1C1CC1 ZINC000290746865 381537868 /nfs/dbraw/zinc/53/78/68/381537868.db2.gz ICJRQOKWOWBHCN-HOTGVXAUSA-N 0 3 270.376 2.712 20 30 CFEDHN CC#CCCCC(=O)N(CCC)CCN1CCCCC1 ZINC000342794529 381545679 /nfs/dbraw/zinc/54/56/79/381545679.db2.gz LKYIFCBHDBZTCB-UHFFFAOYSA-N 0 3 278.440 2.905 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414243116 381573465 /nfs/dbraw/zinc/57/34/65/381573465.db2.gz QVQKPDJIPCLRAP-STQMWFEESA-N 0 3 281.421 2.780 20 30 CFEDHN CC(C)[C@H](CC(F)(F)F)NCc1cc(C#N)n(C)c1 ZINC000359683907 381554604 /nfs/dbraw/zinc/55/46/04/381554604.db2.gz YRAWDFHDBHRWEI-LBPRGKRZSA-N 0 3 273.302 2.963 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810135 381558447 /nfs/dbraw/zinc/55/84/47/381558447.db2.gz OUGTXQZAHHVHDI-GUYCJALGSA-N 0 3 281.403 2.620 20 30 CFEDHN C=CCC[C@H](NCc1ccccc1S(C)(=O)=O)C1CC1 ZINC000414229092 381571867 /nfs/dbraw/zinc/57/18/67/381571867.db2.gz DZVSWJOWUATLHD-HNNXBMFYSA-N 0 3 293.432 2.925 20 30 CFEDHN Cn1cc(CNCC(C)(C)Oc2ccccc2)cc1C#N ZINC000359764136 381601703 /nfs/dbraw/zinc/60/17/03/381601703.db2.gz IZJQWEMASXLSQJ-UHFFFAOYSA-N 0 3 283.375 2.844 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1CCC[C@@H]1OC(F)F ZINC000348521165 381606124 /nfs/dbraw/zinc/60/61/24/381606124.db2.gz NQGMJVITELBXCN-OCCSQVGLSA-N 0 3 296.317 2.817 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCC[C@@H]2OC(F)F)c1F ZINC000348522363 381606517 /nfs/dbraw/zinc/60/65/17/381606517.db2.gz XANVBTFSCDYWGP-NEPJUHHUSA-N 0 3 284.281 2.947 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@H](C2CCC2)C1 ZINC000414472304 381587495 /nfs/dbraw/zinc/58/74/95/381587495.db2.gz NUPMGQKPDKEDPB-AWEZNQCLSA-N 0 3 250.386 2.817 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccccc2F)s1 ZINC000342862535 381590700 /nfs/dbraw/zinc/59/07/00/381590700.db2.gz SWNSDJYOPPMCGT-UHFFFAOYSA-N 0 3 276.336 2.927 20 30 CFEDHN C[C@@H]1CC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348504863 381597559 /nfs/dbraw/zinc/59/75/59/381597559.db2.gz CUBUJASFDWHZJY-UHOFOFEASA-N 0 3 281.359 2.545 20 30 CFEDHN CC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)N(CC)CC ZINC000359790025 381613234 /nfs/dbraw/zinc/61/32/34/381613234.db2.gz HREMJTKHTHVYOL-AWEZNQCLSA-N 0 3 281.444 2.895 20 30 CFEDHN C=CCN1CCC(NC(=O)CCC(C)(C)C)CC1 ZINC000348537641 381617696 /nfs/dbraw/zinc/61/76/96/381617696.db2.gz XHGHOEUAUNMBIS-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN COC1CCC(C)(CNCc2ccc(C#N)o2)CC1 ZINC000355135214 381635574 /nfs/dbraw/zinc/63/55/74/381635574.db2.gz OMXLMNVQWXBXCR-UHFFFAOYSA-N 0 3 262.353 2.836 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000185571054 381669373 /nfs/dbraw/zinc/66/93/73/381669373.db2.gz AJTGGXXEZSGVTI-QGZVFWFLSA-N 0 3 298.430 2.817 20 30 CFEDHN N#Cc1ccc(CNCC2(C(F)F)CC2)c(F)c1 ZINC000355163447 381651964 /nfs/dbraw/zinc/65/19/64/381651964.db2.gz YAAGPUFDXQOHJC-UHFFFAOYSA-N 0 3 254.255 2.832 20 30 CFEDHN N#Cc1ccc(NC2CCN(Cc3ccsc3)CC2)nc1 ZINC000371662704 381674810 /nfs/dbraw/zinc/67/48/10/381674810.db2.gz ADKMJAFRUCTHRV-UHFFFAOYSA-N 0 3 298.415 2.513 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000371707702 381685258 /nfs/dbraw/zinc/68/52/58/381685258.db2.gz CZLIXUWRRQQDLB-HOCLYGCPSA-N 0 3 279.355 2.606 20 30 CFEDHN Cc1ccnc(NCCN2[C@@H](C)CCC[C@@H]2C)c1C#N ZINC000343478190 381740355 /nfs/dbraw/zinc/74/03/55/381740355.db2.gz PNALGDKPMFKWNY-KBPBESRZSA-N 0 3 272.396 2.937 20 30 CFEDHN C=CCc1cc(CN[C@@H](CO)C/C=C/C)cc(OC)c1O ZINC000185810533 381740695 /nfs/dbraw/zinc/74/06/95/381740695.db2.gz VIRJGPSNXUFUMG-CSPWOOARSA-N 0 3 291.391 2.546 20 30 CFEDHN C=CCCC1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000355313207 381744455 /nfs/dbraw/zinc/74/44/55/381744455.db2.gz LLTRUSGKMFGBIN-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN CCN(CC(=O)NCc1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000348869017 381747775 /nfs/dbraw/zinc/74/77/75/381747775.db2.gz WEKQFVPVETWFJI-AWEZNQCLSA-N 0 3 287.407 2.541 20 30 CFEDHN C=C(C)[C@@H](NCCCCO)c1ccc(F)c(F)c1 ZINC000298813344 381755601 /nfs/dbraw/zinc/75/56/01/381755601.db2.gz ATKAAHKCGOZSCT-CQSZACIVSA-N 0 3 255.308 2.944 20 30 CFEDHN C[C@@H](C(=O)NCCN1CCC(C)CC1)c1cccc(C#N)c1 ZINC000360005869 381722379 /nfs/dbraw/zinc/72/23/79/381722379.db2.gz JUEIDGXINGMSKD-OAHLLOKOSA-N 0 3 299.418 2.510 20 30 CFEDHN Cc1ccnc(N[C@@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000343544955 381786891 /nfs/dbraw/zinc/78/68/91/381786891.db2.gz ZBEDFAFXFGSBBH-JSGCOSHPSA-N 0 3 272.396 2.794 20 30 CFEDHN Cn1ccnc1[C@H](NCCc1cccc(C#N)c1)C1CC1 ZINC000343549013 381789604 /nfs/dbraw/zinc/78/96/04/381789604.db2.gz KXBSIJGYIUAUPD-MRXNPFEDSA-N 0 3 280.375 2.575 20 30 CFEDHN C=CCSCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185968830 381789949 /nfs/dbraw/zinc/78/99/49/381789949.db2.gz IURXGQXJPRVZBX-LLVKDONJSA-N 0 3 267.394 2.971 20 30 CFEDHN C=CCOc1ccc(CN(C)C2CC(O)C2)cc1Cl ZINC000355373408 381764542 /nfs/dbraw/zinc/76/45/42/381764542.db2.gz WUFQIIYPDMBHJB-UHFFFAOYSA-N 0 3 281.783 2.860 20 30 CFEDHN COC(=O)[C@@H](C)CN(Cc1ccc(CC#N)cc1)C1CC1 ZINC000343522765 381770654 /nfs/dbraw/zinc/77/06/54/381770654.db2.gz HDQJKJPBMAAKPR-ZDUSSCGKSA-N 0 3 286.375 2.526 20 30 CFEDHN C=CCC(CC=C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000355456149 381771166 /nfs/dbraw/zinc/77/11/66/381771166.db2.gz MNUDULAODLAXGQ-UHFFFAOYSA-N 0 3 296.480 2.698 20 30 CFEDHN Cc1nccnc1[C@@H](C)NCCc1cccc(C#N)c1 ZINC000343523321 381771988 /nfs/dbraw/zinc/77/19/88/381771988.db2.gz GERMDHYJTZCXNG-GFCCVEGCSA-N 0 3 266.348 2.550 20 30 CFEDHN Cc1nc(N2CCN(C3CCCCC3)CC2)ccc1C#N ZINC000291785215 381773453 /nfs/dbraw/zinc/77/34/53/381773453.db2.gz CTYXFPJSECSDSU-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000355509374 381777717 /nfs/dbraw/zinc/77/77/17/381777717.db2.gz AUPHJEDYBLAQKZ-ZQIUZPCESA-N 0 3 297.402 2.589 20 30 CFEDHN COC(=O)c1coc([C@H](C)NCCc2cccc(C#N)c2)c1 ZINC000343533427 381779326 /nfs/dbraw/zinc/77/93/26/381779326.db2.gz LSXUXIDKQWKOGX-LBPRGKRZSA-N 0 3 298.342 2.831 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000356188377 381829276 /nfs/dbraw/zinc/82/92/76/381829276.db2.gz DAABGHDAUTTXSQ-KBPBESRZSA-N 0 3 298.308 2.970 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(C#N)s1 ZINC000356225106 381833094 /nfs/dbraw/zinc/83/30/94/381833094.db2.gz RGMGUADOBGOUOF-LBPRGKRZSA-N 0 3 291.420 2.614 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nsc2C)CC1 ZINC000292787797 381835149 /nfs/dbraw/zinc/83/51/49/381835149.db2.gz MLHMPCJEMQXMDV-UHFFFAOYSA-N 0 3 293.436 2.530 20 30 CFEDHN C=CCCC[C@H](C)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000361510927 381837862 /nfs/dbraw/zinc/83/78/62/381837862.db2.gz MUQNHYZVZUBBQA-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C(C)(C)C)C1 ZINC000361550318 381842727 /nfs/dbraw/zinc/84/27/27/381842727.db2.gz DQMHHDIEEPMVGW-CABCVRRESA-N 0 3 293.455 2.753 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000343664289 381875284 /nfs/dbraw/zinc/87/52/84/381875284.db2.gz UQJHJTLZYGZUFM-GMSGAONNSA-N 0 3 274.217 2.705 20 30 CFEDHN C#CCN(C)CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000292879586 381880642 /nfs/dbraw/zinc/88/06/42/381880642.db2.gz URMAFXRULFPFRI-UHFFFAOYSA-N 0 3 298.346 2.510 20 30 CFEDHN C=C(Cl)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000362038357 381881456 /nfs/dbraw/zinc/88/14/56/381881456.db2.gz KZMXOTRGJJWZIP-UHFFFAOYSA-N 0 3 289.810 2.865 20 30 CFEDHN C=CCN(C(=O)CCN1CCc2ccccc2C1)C1CC1 ZINC000416186769 381881822 /nfs/dbraw/zinc/88/18/22/381881822.db2.gz CSIDTMMYMUYLOK-UHFFFAOYSA-N 0 3 284.403 2.612 20 30 CFEDHN CN(C)[C@H](CC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000416249878 381882992 /nfs/dbraw/zinc/88/29/92/381882992.db2.gz ZUOUVRICKZOBQA-BHYGNILZSA-N 0 3 299.418 2.878 20 30 CFEDHN COC(=O)CC[C@@H](CC1CCCCC1)NC(=O)C(C)C#N ZINC000416269274 381885142 /nfs/dbraw/zinc/88/51/42/381885142.db2.gz CQEXDRKLWUNPQD-JSGCOSHPSA-N 0 3 294.395 2.554 20 30 CFEDHN CN(CCCCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356400991 381848799 /nfs/dbraw/zinc/84/87/99/381848799.db2.gz GOVZHABYSUPTCG-UHFFFAOYSA-N 0 3 286.297 2.781 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2C(C)=CCC[C@@H]2C)C1=O ZINC000343625514 381850486 /nfs/dbraw/zinc/85/04/86/381850486.db2.gz RLYSTLFCTVCKDW-JYJNAYRXSA-N 0 3 276.424 2.698 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000361641290 381853509 /nfs/dbraw/zinc/85/35/09/381853509.db2.gz YKHYEWIXZJYACB-ZNMIVQPWSA-N 0 3 296.480 2.627 20 30 CFEDHN C=CCOCCN(C)[C@@H](C)Cc1ccccc1OC ZINC000292829378 381853805 /nfs/dbraw/zinc/85/38/05/381853805.db2.gz OPWAXCGHOWWQPI-AWEZNQCLSA-N 0 3 263.381 2.761 20 30 CFEDHN COc1cccc2c1CC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000349349396 381901463 /nfs/dbraw/zinc/90/14/63/381901463.db2.gz ATZHBFJMZXGEHR-XUJVJEKNSA-N 0 3 256.349 2.964 20 30 CFEDHN C#CCCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000186495608 381927080 /nfs/dbraw/zinc/92/70/80/381927080.db2.gz BMJPXQQAAYDMLA-QAPCUYQASA-N 0 3 286.419 2.988 20 30 CFEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1C(=N)NO ZINC000373134954 381934754 /nfs/dbraw/zinc/93/47/54/381934754.db2.gz GFIZEASERVAWDW-GFCCVEGCSA-N 0 3 266.389 2.517 20 30 CFEDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1cnc(C#N)cn1)N(C)C ZINC000343801833 381949942 /nfs/dbraw/zinc/94/99/42/381949942.db2.gz DOZNNFVYEZXABP-CXAGYDPISA-N 0 3 295.390 2.760 20 30 CFEDHN C[C@H]1OCC[C@@]12CN(CCCCC(C)(C)C#N)CCO2 ZINC000373406146 381996984 /nfs/dbraw/zinc/99/69/84/381996984.db2.gz QGZQJNOIFYHJNP-GDBMZVCRSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000293165599 382014425 /nfs/dbraw/zinc/01/44/25/382014425.db2.gz GBAUUKDIDZUEBR-CQSZACIVSA-N 0 3 296.361 2.925 20 30 CFEDHN CC#CCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000362253873 381980346 /nfs/dbraw/zinc/98/03/46/381980346.db2.gz YMUYRJHLPHXUEC-UHFFFAOYSA-N 0 3 278.440 2.759 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000293095440 381988738 /nfs/dbraw/zinc/98/87/38/381988738.db2.gz XIKMFIWDALCKBX-CYBMUJFWSA-N 0 3 289.354 2.865 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000186710116 381990983 /nfs/dbraw/zinc/99/09/83/381990983.db2.gz HEJFONPYCZQXEQ-WMLDXEAASA-N 0 3 285.391 2.519 20 30 CFEDHN CCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000349828804 381993450 /nfs/dbraw/zinc/99/34/50/381993450.db2.gz NOVFOWWRUMFPLC-GXTWGEPZSA-N 0 3 274.364 2.876 20 30 CFEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)C(C)C#N ZINC000351596075 382046072 /nfs/dbraw/zinc/04/60/72/382046072.db2.gz RRBYAIWFAGFBML-BREBYQMCSA-N 0 3 280.755 2.692 20 30 CFEDHN C=CCC[C@@H](O)CN(C)CCOc1ccc(Cl)cc1 ZINC000351631210 382050336 /nfs/dbraw/zinc/05/03/36/382050336.db2.gz FSILBGXASJKNJP-CQSZACIVSA-N 0 3 283.799 2.978 20 30 CFEDHN CO[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000374662289 382051406 /nfs/dbraw/zinc/05/14/06/382051406.db2.gz NFKBEGNIGILDMY-MRXNPFEDSA-N 0 3 261.340 2.678 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000351683497 382055688 /nfs/dbraw/zinc/05/56/88/382055688.db2.gz DPJOJBRVRMBKIH-MRXNPFEDSA-N 0 3 289.423 2.945 20 30 CFEDHN C=C(C)CCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000351732080 382058829 /nfs/dbraw/zinc/05/88/29/382058829.db2.gz ZZAJDDWOMGRFGF-GHMZBOCLSA-N 0 3 251.292 2.730 20 30 CFEDHN C=C(C)CCN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000351722132 382060066 /nfs/dbraw/zinc/06/00/66/382060066.db2.gz VDODETKRJOSSFG-UHFFFAOYSA-N 0 3 264.413 2.820 20 30 CFEDHN CC(C)CC1(C)CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000344013325 382068054 /nfs/dbraw/zinc/06/80/54/382068054.db2.gz OUYLPFQWIUTCBJ-HNNXBMFYSA-N 0 3 293.455 2.895 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000362371292 382031115 /nfs/dbraw/zinc/03/11/15/382031115.db2.gz QJXXYXPAOVVPCH-GDBMZVCRSA-N 0 3 289.423 2.943 20 30 CFEDHN C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000344069292 382106649 /nfs/dbraw/zinc/10/66/49/382106649.db2.gz QWQNYBRJLCKDQS-CQSZACIVSA-N 0 3 299.418 2.542 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@](C)(O)CC2)cc1 ZINC000376018534 382116897 /nfs/dbraw/zinc/11/68/97/382116897.db2.gz JJRUJFKGZSAKOP-YOEHRIQHSA-N 0 3 288.391 2.714 20 30 CFEDHN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCOC2)O1 ZINC000376021523 382116970 /nfs/dbraw/zinc/11/69/70/382116970.db2.gz MXQNSDVOYDUNHN-ZBFHGGJFSA-N 0 3 280.412 2.586 20 30 CFEDHN CCC(CC)N(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000344030157 382078291 /nfs/dbraw/zinc/07/82/91/382078291.db2.gz NUVMNLVDZLMHMO-UHFFFAOYSA-N 0 3 287.407 2.685 20 30 CFEDHN C#CCCN1CCC[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000362456648 382078954 /nfs/dbraw/zinc/07/89/54/382078954.db2.gz UFRALCHNDYFGAH-CQSZACIVSA-N 0 3 289.375 2.873 20 30 CFEDHN C#CCCCC(=O)NC[C@H]1CCCN1CCc1ccccc1 ZINC000375442017 382086823 /nfs/dbraw/zinc/08/68/23/382086823.db2.gz YPSXCNKEIVSHEQ-GOSISDBHSA-N 0 3 298.430 2.613 20 30 CFEDHN CC(C)(C#N)CCN1CCC(c2cnccn2)CC1 ZINC000375703983 382099057 /nfs/dbraw/zinc/09/90/57/382099057.db2.gz ZMVJUHGVJCOVHK-UHFFFAOYSA-N 0 3 258.369 2.596 20 30 CFEDHN CCOCC(C)(C)NCc1ccc(C#N)cc1F ZINC000293380736 382101294 /nfs/dbraw/zinc/10/12/94/382101294.db2.gz WCHCZQWKXQYFAJ-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000344184477 382185987 /nfs/dbraw/zinc/18/59/87/382185987.db2.gz AYXQLVYBZTZGRI-CQSZACIVSA-N 0 3 275.396 2.895 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)CCC1 ZINC000376451522 382135645 /nfs/dbraw/zinc/13/56/45/382135645.db2.gz WEBSAXQPNHJCST-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@H]2OCCc3ccccc32)C1 ZINC000376478388 382136934 /nfs/dbraw/zinc/13/69/34/382136934.db2.gz OQZNMMZWHYEYLI-FRFSOERESA-N 0 3 270.376 2.972 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293482893 382141445 /nfs/dbraw/zinc/14/14/45/382141445.db2.gz SBFXEWLRCUZWPG-HZSPNIEDSA-N 0 3 257.381 2.644 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccccc1N(C)C ZINC000344126805 382144300 /nfs/dbraw/zinc/14/43/00/382144300.db2.gz XYNJPXXGYUUBEB-HNNXBMFYSA-N 0 3 262.397 2.512 20 30 CFEDHN C[C@H]1CCCCN1CCNc1ccc(F)cc1C#N ZINC000301332125 382150646 /nfs/dbraw/zinc/15/06/46/382150646.db2.gz BSFFQDLYGRMSPX-LBPRGKRZSA-N 0 3 261.344 2.984 20 30 CFEDHN C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000357440658 382172774 /nfs/dbraw/zinc/17/27/74/382172774.db2.gz LERQPCQTDZHARK-LLVKDONJSA-N 0 3 286.335 2.529 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C2CC2)C1 ZINC000362701024 382205112 /nfs/dbraw/zinc/20/51/12/382205112.db2.gz DVPWOEMPHMHZGE-WFASDCNBSA-N 0 3 283.375 2.617 20 30 CFEDHN C=C(C)CN1CCC(Nc2noc(C(C)(C)C)n2)CC1 ZINC000302164533 382211884 /nfs/dbraw/zinc/21/18/84/382211884.db2.gz ZLFFCHNVBPYHAQ-UHFFFAOYSA-N 0 3 278.400 2.820 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000345102199 382284061 /nfs/dbraw/zinc/28/40/61/382284061.db2.gz GIVPYRICGWHKDC-WKEGUHRASA-N 0 3 292.207 2.844 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)[C@H]1CC1(C)C ZINC000419320227 382284418 /nfs/dbraw/zinc/28/44/18/382284418.db2.gz PSLDILKRAGTEDO-VXGBXAGGSA-N 0 3 291.420 2.973 20 30 CFEDHN CC[C@H](CN(Cc1ccc(C#N)cc1)C1CC1)OC ZINC000419196185 382239378 /nfs/dbraw/zinc/23/93/78/382239378.db2.gz SRJBYQPUFNBOMK-MRXNPFEDSA-N 0 3 258.365 2.948 20 30 CFEDHN CC(C)(CCN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CC1 ZINC000419199133 382241544 /nfs/dbraw/zinc/24/15/44/382241544.db2.gz CZBMGCAOYZSRGD-OAHLLOKOSA-N 0 3 285.391 2.501 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000344271733 382242388 /nfs/dbraw/zinc/24/23/88/382242388.db2.gz AHWWOUSDCNLWBP-VCTAVGKDSA-N 0 3 276.355 2.846 20 30 CFEDHN CC#CCCCC(=O)N(C1CC1)C1CCN(CC)CC1 ZINC000363823026 382247706 /nfs/dbraw/zinc/24/77/06/382247706.db2.gz PIYDIAOKUPPXJG-UHFFFAOYSA-N 0 3 276.424 2.655 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000187807417 382274156 /nfs/dbraw/zinc/27/41/56/382274156.db2.gz MNGWXDXXZCBQCB-PBHICJAKSA-N 0 3 296.455 2.724 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CCC(CC)CC2)CC1 ZINC000352411422 382315538 /nfs/dbraw/zinc/31/55/38/382315538.db2.gz WEYSIELWCWTXSW-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CCN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000352413109 382317957 /nfs/dbraw/zinc/31/79/57/382317957.db2.gz LVUGUCWXPJCULH-MSOLQXFVSA-N 0 3 286.419 2.538 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H]2CCCC[C@H]21 ZINC000377723199 382330437 /nfs/dbraw/zinc/33/04/37/382330437.db2.gz MLXAUNNVACIEEG-RBSFLKMASA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000346065201 382331247 /nfs/dbraw/zinc/33/12/47/382331247.db2.gz YJSCAVUSGDLNRR-HOTGVXAUSA-N 0 3 289.423 2.943 20 30 CFEDHN N#CC(C(=O)c1cncc(F)c1)c1nc2ccccc2[nH]1 ZINC000346228726 382337365 /nfs/dbraw/zinc/33/73/65/382337365.db2.gz VNEXLURKJGFJBI-LLVKDONJSA-N 0 3 280.262 2.587 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncc(F)c1 ZINC000346229839 382337834 /nfs/dbraw/zinc/33/78/34/382337834.db2.gz WLJXEQFLDAENLI-GFCCVEGCSA-N 0 3 294.289 2.597 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cccc(F)c1F ZINC000345268456 382294998 /nfs/dbraw/zinc/29/49/98/382294998.db2.gz PCXMVLWXMIYCHK-MNOVXSKESA-N 0 3 255.308 2.800 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287026 382296545 /nfs/dbraw/zinc/29/65/45/382296545.db2.gz XKZJDSPSUUZPNM-OCCSQVGLSA-N 0 3 279.428 2.782 20 30 CFEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)NCc1ccc(C#N)cc1 ZINC000357739612 382300220 /nfs/dbraw/zinc/30/02/20/382300220.db2.gz ILVOTJCKMJFCNT-LSDHHAIUSA-N 0 3 299.418 2.685 20 30 CFEDHN COc1ccc(CC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000357891856 382363669 /nfs/dbraw/zinc/36/36/69/382363669.db2.gz RTKWDNVYKYJGAV-ZDUSSCGKSA-N 0 3 286.375 2.636 20 30 CFEDHN COc1ccc(CC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000357891855 382363726 /nfs/dbraw/zinc/36/37/26/382363726.db2.gz RTKWDNVYKYJGAV-CYBMUJFWSA-N 0 3 286.375 2.636 20 30 CFEDHN C=CCOCCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000294016869 382379859 /nfs/dbraw/zinc/37/98/59/382379859.db2.gz HBCBZWOATJJLLE-OAHLLOKOSA-N 0 3 289.423 2.601 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)s2)[C@@H]2CCCO[C@H]21 ZINC000378012663 382384588 /nfs/dbraw/zinc/38/45/88/382384588.db2.gz VFTLYQGVSRVXIV-BFHYXJOUSA-N 0 3 276.405 2.913 20 30 CFEDHN CCCN1CCCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000364652865 382348170 /nfs/dbraw/zinc/34/81/70/382348170.db2.gz ZWQKJTXMMMCYQW-UHFFFAOYSA-N 0 3 292.814 2.837 20 30 CFEDHN C=C(C)CN1CCC(O)(c2cc(OC)cc(OC)c2)CC1 ZINC000305102132 382423852 /nfs/dbraw/zinc/42/38/52/382423852.db2.gz YHJQKOXHWGHQOW-UHFFFAOYSA-N 0 3 291.391 2.563 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352676914 382448435 /nfs/dbraw/zinc/44/84/35/382448435.db2.gz VCZOVDZQJXWCSA-VXGBXAGGSA-N 0 3 292.345 2.809 20 30 CFEDHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305841637 382448483 /nfs/dbraw/zinc/44/84/83/382448483.db2.gz ZMDULHUNVLRIMM-DETPVDSQSA-N 0 3 276.355 2.899 20 30 CFEDHN CCN1CCN(Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000352669042 382444426 /nfs/dbraw/zinc/44/44/26/382444426.db2.gz WVJZGKMBPIEUHL-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000305784332 382446589 /nfs/dbraw/zinc/44/65/89/382446589.db2.gz WWLSCGPUEODYTJ-DGCLKSJQSA-N 0 3 267.344 2.812 20 30 CFEDHN CC[C@H](C)[C@H](CNCc1ccc(C#N)s1)OC ZINC000294097077 382413777 /nfs/dbraw/zinc/41/37/77/382413777.db2.gz BPNBBCIWXGCZTE-GWCFXTLKSA-N 0 3 252.383 2.770 20 30 CFEDHN CCCN(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000304788872 382417783 /nfs/dbraw/zinc/41/77/83/382417783.db2.gz JLNZNIAMMDUBIJ-UHFFFAOYSA-N 0 3 285.309 2.761 20 30 CFEDHN C=CCOCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000294211999 382461650 /nfs/dbraw/zinc/46/16/50/382461650.db2.gz RWQTYZYUFHEPOE-HUUCEWRRSA-N 0 3 283.318 2.587 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@H]2C=CCCCCC2)C1=O ZINC000294212495 382461694 /nfs/dbraw/zinc/46/16/94/382461694.db2.gz RYLXOZIQDMGMPU-LSDHHAIUSA-N 0 3 262.397 2.594 20 30 CFEDHN CC(C)(CN1CCCC1)NCc1cc(C#N)ccc1F ZINC000308632136 382482423 /nfs/dbraw/zinc/48/24/23/382482423.db2.gz OTJBTDZJJMQUCK-UHFFFAOYSA-N 0 3 275.371 2.661 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(Br)c(F)c1 ZINC000309559254 382488487 /nfs/dbraw/zinc/48/84/87/382488487.db2.gz KOEIJFDKGBQVPS-WPRPVWTQSA-N 0 3 288.160 2.786 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC(C)(C)CF)C(C)C ZINC000353028472 382488837 /nfs/dbraw/zinc/48/88/37/382488837.db2.gz GVENLIMJAGBTKI-AWEZNQCLSA-N 0 3 299.434 2.732 20 30 CFEDHN C=CCOc1ccc(CN(C)CC(C)(C)CO)cc1OC ZINC000294670961 382523974 /nfs/dbraw/zinc/52/39/74/382523974.db2.gz AWILAUGRMCCLOT-UHFFFAOYSA-N 0 3 293.407 2.710 20 30 CFEDHN COc1cc(NC(C)=O)ccc1[C@H](C)NCCCC#N ZINC000346812022 382524264 /nfs/dbraw/zinc/52/42/64/382524264.db2.gz VVHQYDYPORJRPP-NSHDSACASA-N 0 3 275.352 2.608 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCC#N)CC[C@H]21 ZINC000366537452 382526790 /nfs/dbraw/zinc/52/67/90/382526790.db2.gz XYLSJPWJTKSORX-UONOGXRCSA-N 0 3 293.411 2.621 20 30 CFEDHN Cc1ccncc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000358191852 382498483 /nfs/dbraw/zinc/49/84/83/382498483.db2.gz PCDBRQMGJNZEQS-CQSZACIVSA-N 0 3 281.359 2.991 20 30 CFEDHN C=CCOCCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420926826 382498678 /nfs/dbraw/zinc/49/86/78/382498678.db2.gz NSDWIIWTJRMHRD-KGLIPLIRSA-N 0 3 283.412 2.631 20 30 CFEDHN C=C(C)CN(C)Cc1cccc(CN2CCOCC2)c1 ZINC000420946689 382501633 /nfs/dbraw/zinc/50/16/33/382501633.db2.gz NWLJGFJRIYPFTQ-UHFFFAOYSA-N 0 3 274.408 2.527 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC(C3CC3)CC2)cc1 ZINC000366400494 382504133 /nfs/dbraw/zinc/50/41/33/382504133.db2.gz KXWINOXHSYGCNU-QGZVFWFLSA-N 0 3 270.376 2.714 20 30 CFEDHN C[C@@H]1CC[C@@H](O)CN1CCC1(C#N)CCCCC1 ZINC000421017840 382508064 /nfs/dbraw/zinc/50/80/64/382508064.db2.gz MCRCTHBYJQEXSN-ZIAGYGMSSA-N 0 3 250.386 2.696 20 30 CFEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccccc1C#N ZINC000294891352 382541435 /nfs/dbraw/zinc/54/14/35/382541435.db2.gz WKNCARQMSDJVTP-CVEARBPZSA-N 0 3 286.375 2.770 20 30 CFEDHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000328623836 382556325 /nfs/dbraw/zinc/55/63/25/382556325.db2.gz ZCHHANNJLOSDGK-FPMFFAJLSA-N 0 3 293.411 2.857 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@]23CCOC3)cc1 ZINC000367041399 382556788 /nfs/dbraw/zinc/55/67/88/382556788.db2.gz VRJWLQBKAFEWQP-YOEHRIQHSA-N 0 3 286.375 2.732 20 30 CFEDHN N#CC(C(=O)c1ccccc1OC1CCC1)c1ccncn1 ZINC000680617683 542342677 /nfs/dbraw/zinc/34/26/77/542342677.db2.gz BAEKLYCEBNPMEJ-AWEZNQCLSA-N 0 3 293.326 2.898 20 30 CFEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1ccncn1 ZINC000680618823 542343241 /nfs/dbraw/zinc/34/32/41/542343241.db2.gz XFOVQBWWKNFTFS-VIFPVBQESA-N 0 3 268.301 2.509 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccccc1OC(C)C ZINC000320392201 382537293 /nfs/dbraw/zinc/53/72/93/382537293.db2.gz NBMNATHFZHBMDP-OAHLLOKOSA-N 0 3 263.381 2.891 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccccc1OC(F)F ZINC000320348822 382537575 /nfs/dbraw/zinc/53/75/75/382537575.db2.gz CFKJMSUUQBJHBF-GFCCVEGCSA-N 0 3 271.307 2.705 20 30 CFEDHN C=CCC[C@@H](CO)NCc1c(C)nn(-c2ccccc2)c1C ZINC000320348798 382537612 /nfs/dbraw/zinc/53/76/12/382537612.db2.gz FALPXHAZMVFKIY-INIZCTEOSA-N 0 3 299.418 2.906 20 30 CFEDHN CC(C)C[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346960017 382586490 /nfs/dbraw/zinc/58/64/90/382586490.db2.gz JTRCGPOSKSTPQV-INIZCTEOSA-N 0 3 299.418 2.926 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000295219251 382589174 /nfs/dbraw/zinc/58/91/74/382589174.db2.gz MLXQKPVCRUVBKP-MRXNPFEDSA-N 0 3 287.403 2.682 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000295222509 382591359 /nfs/dbraw/zinc/59/13/59/382591359.db2.gz YGRBVQYYCXTROV-GDBMZVCRSA-N 0 3 286.419 2.978 20 30 CFEDHN CCn1cc([C@@H](C)NCCCOc2cccc(C#N)c2)cn1 ZINC000295267235 382603192 /nfs/dbraw/zinc/60/31/92/382603192.db2.gz AOIWHFNVKCDXAX-CQSZACIVSA-N 0 3 298.390 2.894 20 30 CFEDHN C#CCN(Cc1ccccc1)CC1CCC(=O)CC1 ZINC000295313965 382614842 /nfs/dbraw/zinc/61/48/42/382614842.db2.gz NMDXRWCWLRRXBJ-UHFFFAOYSA-N 0 3 255.361 2.881 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCC[C@H]1SCC ZINC000189501919 382616865 /nfs/dbraw/zinc/61/68/65/382616865.db2.gz QKECYFXMKXAESG-HUUCEWRRSA-N 0 3 296.480 2.841 20 30 CFEDHN CCOCc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000189587938 382627799 /nfs/dbraw/zinc/62/77/99/382627799.db2.gz OZXLTYVKIQWVFS-UHFFFAOYSA-N 0 3 283.375 2.723 20 30 CFEDHN Cc1cccc([C@H](C)NCC(=O)NC2(C#N)CCC2)c1C ZINC000346945096 382580329 /nfs/dbraw/zinc/58/03/29/382580329.db2.gz MVRJNMAOZOSUPH-AWEZNQCLSA-N 0 3 285.391 2.517 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN(C)Cc1ccccc1 ZINC000190968228 382686903 /nfs/dbraw/zinc/68/69/03/382686903.db2.gz VZJJKCUIOCLWRP-QGZVFWFLSA-N 0 3 274.408 2.837 20 30 CFEDHN C[C@H]1CSCCN(CCOc2ccc(C#N)cc2)C1 ZINC000190469714 382669836 /nfs/dbraw/zinc/66/98/36/382669836.db2.gz UOAQQXWPSYYPDF-CYBMUJFWSA-N 0 3 276.405 2.622 20 30 CFEDHN C#CCCCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000190667030 382676817 /nfs/dbraw/zinc/67/68/17/382676817.db2.gz QQMQKFQXBQIYKW-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN CC(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1C ZINC000190761383 382679939 /nfs/dbraw/zinc/67/99/39/382679939.db2.gz YCTDYMSNKUDPBE-AWEZNQCLSA-N 0 3 293.326 2.839 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)N(C)c1ccccc1 ZINC000190766727 382680005 /nfs/dbraw/zinc/68/00/05/382680005.db2.gz PDIDBFBHRYUOOF-AWEZNQCLSA-N 0 3 282.391 2.511 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1OCCNCc1cc(C#N)n(C)c1 ZINC000190804319 382680918 /nfs/dbraw/zinc/68/09/18/382680918.db2.gz SAXQOCWVZAQYEP-CJNGLKHVSA-N 0 3 275.396 2.582 20 30 CFEDHN C=CCOc1cccc(CNCCOCC(F)F)c1 ZINC000190900761 382684203 /nfs/dbraw/zinc/68/42/03/382684203.db2.gz VFEJYYXXJQWZOI-UHFFFAOYSA-N 0 3 271.307 2.623 20 30 CFEDHN CN(C1CCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192530727 382709825 /nfs/dbraw/zinc/70/98/25/382709825.db2.gz NGIABMKKSWUCFL-KRWDZBQOSA-N 0 3 297.402 2.928 20 30 CFEDHN CN(C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192603994 382710520 /nfs/dbraw/zinc/71/05/20/382710520.db2.gz GXOGPLXUSIGDQF-MRXNPFEDSA-N 0 3 283.375 2.538 20 30 CFEDHN C=CCCCCCN1CCCN(C(=O)C2CC2)CC1 ZINC000193571044 382721194 /nfs/dbraw/zinc/72/11/94/382721194.db2.gz ISQIWOAUVMDYMO-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000193677614 382722415 /nfs/dbraw/zinc/72/24/15/382722415.db2.gz FOHHWCFCENFLRE-GJZGRUSLSA-N 0 3 283.799 2.944 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC=C(c3ccccn3)C2)C1 ZINC000574999492 382723161 /nfs/dbraw/zinc/72/31/61/382723161.db2.gz GUAUTBDDJDMBTD-ZFWWWQNUSA-N 0 3 253.349 2.863 20 30 CFEDHN C[C@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000194007463 382732700 /nfs/dbraw/zinc/73/27/00/382732700.db2.gz ZAEFPLHCRCJCOL-CMPLNLGQSA-N 0 3 277.393 2.727 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000194031232 382733150 /nfs/dbraw/zinc/73/31/50/382733150.db2.gz YLECHILCMXGUMY-FVQBIDKESA-N 0 3 286.350 2.745 20 30 CFEDHN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc(C#N)o2)C1 ZINC000195194845 382763681 /nfs/dbraw/zinc/76/36/81/382763681.db2.gz IHIWJQQZRGEIBS-MRXNPFEDSA-N 0 3 290.363 2.562 20 30 CFEDHN C=CCN1CC[C@@H](N(C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000337152307 382768483 /nfs/dbraw/zinc/76/84/83/382768483.db2.gz KRMDVIPLUSSBMP-ZWKOTPCHSA-N 0 3 296.414 2.925 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(C(C)(C)C)CC2)C1=O ZINC000337200781 382775596 /nfs/dbraw/zinc/77/55/96/382775596.db2.gz ZZPLMTPUCGWQBV-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(C)(C(C)C)CC2)C1=O ZINC000337205595 382776800 /nfs/dbraw/zinc/77/68/00/382776800.db2.gz KXLNZTQFWGAMJM-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC2CCC(C)(C)CC2)C1=O ZINC000337231130 382781058 /nfs/dbraw/zinc/78/10/58/382781058.db2.gz UCOAVWZZGNWEDY-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@H](C)Cc2ccccc2C)C1=O ZINC000337249431 382785577 /nfs/dbraw/zinc/78/55/77/382785577.db2.gz QAUSIXKWVQTYTH-WBVHZDCISA-N 0 3 286.419 2.645 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccc(C)cc3)C[C@H]2C)C1=O ZINC000337254153 382787063 /nfs/dbraw/zinc/78/70/63/382787063.db2.gz SIECSAWHMHEASI-NXHRZFHOSA-N 0 3 298.430 2.960 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN1CCCC[C@@H]1C ZINC000337256664 382787256 /nfs/dbraw/zinc/78/72/56/382787256.db2.gz SOFXNMAPKODZKN-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN CC(C)OCCCCNCc1ccc(C#N)cc1F ZINC000228563851 382847989 /nfs/dbraw/zinc/84/79/89/382847989.db2.gz RKTVUVSWZUDJHA-UHFFFAOYSA-N 0 3 264.344 2.992 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000337445016 382822491 /nfs/dbraw/zinc/82/24/91/382822491.db2.gz ZRGCBFQCEXLVKT-SWLSCSKDSA-N 0 3 278.371 2.803 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337476912 382827617 /nfs/dbraw/zinc/82/76/17/382827617.db2.gz PGHYQYLGIRDIFP-KBPBESRZSA-N 0 3 277.412 2.833 20 30 CFEDHN CCC(CC)[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000227597241 382838186 /nfs/dbraw/zinc/83/81/86/382838186.db2.gz HKKVJKBNCGLYEU-HNNXBMFYSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCCC#N ZINC000493988399 382908123 /nfs/dbraw/zinc/90/81/23/382908123.db2.gz HKCPUHDDDOHNPF-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN CC(C)(C#N)CNC1CCN(c2ccccc2)CC1 ZINC000230687311 382862010 /nfs/dbraw/zinc/86/20/10/382862010.db2.gz PJXBPUZCPQRTIO-UHFFFAOYSA-N 0 3 257.381 2.795 20 30 CFEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C#N)cc1 ZINC000232314313 382868423 /nfs/dbraw/zinc/86/84/23/382868423.db2.gz QMNMQQBUPNYJQF-GFCCVEGCSA-N 0 3 264.332 2.619 20 30 CFEDHN C/C(=C\c1ccccc1)CN(C)CCC(=O)N(C)CCC#N ZINC000494233871 382911077 /nfs/dbraw/zinc/91/10/77/382911077.db2.gz LOPWJZLBEFAQQB-JQIJEIRASA-N 0 3 299.418 2.784 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000337981420 382887334 /nfs/dbraw/zinc/88/73/34/382887334.db2.gz PVMDYHROAUXJEF-UONOGXRCSA-N 0 3 299.418 2.859 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000337981416 382887428 /nfs/dbraw/zinc/88/74/28/382887428.db2.gz PVMDYHROAUXJEF-KBPBESRZSA-N 0 3 299.418 2.859 20 30 CFEDHN C=CCc1cc(CN[C@@H](C)COCC)cc(OC)c1O ZINC000494216149 382911454 /nfs/dbraw/zinc/91/14/54/382911454.db2.gz MQBXVOSYWRKZNS-LBPRGKRZSA-N 0 3 279.380 2.644 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H](N(CCCC#N)C2CC2)C1 ZINC000493778444 382902752 /nfs/dbraw/zinc/90/27/52/382902752.db2.gz KLMJWNUNHOMCGV-CQSZACIVSA-N 0 3 293.411 2.764 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000442714080 382948178 /nfs/dbraw/zinc/94/81/78/382948178.db2.gz KRPYMZDKTSQCGX-CMPLNLGQSA-N 0 3 299.296 2.805 20 30 CFEDHN CCN(CC)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000442721848 382949164 /nfs/dbraw/zinc/94/91/64/382949164.db2.gz WBDDOVIHISCVBK-UKRRQHHQSA-N 0 3 272.396 2.710 20 30 CFEDHN CCN(CC)c1ccc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC000442721850 382949541 /nfs/dbraw/zinc/94/95/41/382949541.db2.gz WBDDOVIHISCVBK-ZFWWWQNUSA-N 0 3 272.396 2.710 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000495142318 382964547 /nfs/dbraw/zinc/96/45/47/382964547.db2.gz VXYJRPYKWQGLLI-JKSUJKDBSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1cc(C)cc(OCCN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442765361 382953594 /nfs/dbraw/zinc/95/35/94/382953594.db2.gz JJUBWTXZEYAGQF-CABCVRRESA-N 0 3 258.365 2.964 20 30 CFEDHN COCCNc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442790631 382957783 /nfs/dbraw/zinc/95/77/83/382957783.db2.gz LXWKPMTVKNQNTN-ZBFHGGJFSA-N 0 3 273.380 2.527 20 30 CFEDHN CC(C)N(C(=O)[C@@H](C)N1CCC(CC#N)CC1)C(C)C ZINC000541024395 382964827 /nfs/dbraw/zinc/96/48/27/382964827.db2.gz XTDYSTSAYQYCKU-CQSZACIVSA-N 0 3 279.428 2.646 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000442799774 382957897 /nfs/dbraw/zinc/95/78/97/382957897.db2.gz LBLOCINWTAAPHV-ZFWWWQNUSA-N 0 3 252.402 2.578 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000442799772 382958150 /nfs/dbraw/zinc/95/81/50/382958150.db2.gz LBLOCINWTAAPHV-HIFRSBDPSA-N 0 3 252.402 2.578 20 30 CFEDHN N#C[C@H]1CC[C@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000442850673 382960919 /nfs/dbraw/zinc/96/09/19/382960919.db2.gz DNEBGINADXFKKW-HOCLYGCPSA-N 0 3 299.418 2.747 20 30 CFEDHN C=C(C)COCCN[C@H](C)[C@H](OC)c1ccccc1 ZINC000494593606 382914833 /nfs/dbraw/zinc/91/48/33/382914833.db2.gz YKHWLOIPWIWQHL-ZBFHGGJFSA-N 0 3 263.381 2.945 20 30 CFEDHN C[C@@H]1CCN(CCC(=O)N(C)CCC#N)[C@H]2CCCC[C@H]12 ZINC000540010944 382962437 /nfs/dbraw/zinc/96/24/37/382962437.db2.gz VARQNNLOUGXAJI-OAGGEKHMSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)c1nn(C)c(Cl)c1CNCCCCC#N ZINC000236841103 382922833 /nfs/dbraw/zinc/92/28/33/382922833.db2.gz CATHURCSSHGXQF-UHFFFAOYSA-N 0 3 268.792 2.980 20 30 CFEDHN Cc1nccn1-c1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000444450896 382973733 /nfs/dbraw/zinc/97/37/33/382973733.db2.gz QWWSEJQTFBNQEV-NEPJUHHUSA-N 0 3 282.347 2.518 20 30 CFEDHN CN(CCCCC(C)(C)C#N)C[C@@H](O)C(F)(F)F ZINC000444677567 382976232 /nfs/dbraw/zinc/97/62/32/382976232.db2.gz WOLJCKQPTOUKGV-SNVBAGLBSA-N 0 3 266.307 2.561 20 30 CFEDHN CC(C)(C)[C@@H](CO)NCC#Cc1ccccc1Cl ZINC000444683447 382976457 /nfs/dbraw/zinc/97/64/57/382976457.db2.gz GSDOBOSHYABITF-CQSZACIVSA-N 0 3 265.784 2.688 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000338288152 382977425 /nfs/dbraw/zinc/97/74/25/382977425.db2.gz CKELZJOVHPUEHX-QWHCGFSZSA-N 0 3 274.364 2.544 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@H](COC(C)C)C1 ZINC000545326845 382977985 /nfs/dbraw/zinc/97/79/85/382977985.db2.gz CHCMWNQGPVYFRV-CABCVRRESA-N 0 3 255.402 2.857 20 30 CFEDHN C=CCCCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444736526 382979653 /nfs/dbraw/zinc/97/96/53/382979653.db2.gz WHHMBLRSXAJDPT-MNOVXSKESA-N 0 3 251.292 2.588 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NCC2CC2)CCCC1(C)C ZINC000444779017 382980442 /nfs/dbraw/zinc/98/04/42/382980442.db2.gz XGHTYEURVBCXIP-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NCc2ccco2)CCCC1(C)C ZINC000444776406 382981188 /nfs/dbraw/zinc/98/11/88/382981188.db2.gz BMUWRHOYQJKZHI-HNNXBMFYSA-N 0 3 290.407 2.963 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NC(C)(C)C)CCCC1(C)C ZINC000444783894 382981776 /nfs/dbraw/zinc/98/17/76/382981776.db2.gz MHMPEMNUSFKUQF-CYBMUJFWSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H]1N(C(=O)NCCN(C)C2CC2)CCCC1(C)C ZINC000445078665 382983371 /nfs/dbraw/zinc/98/33/71/382983371.db2.gz FNUCNWVTTFMZCO-OAHLLOKOSA-N 0 3 293.455 2.857 20 30 CFEDHN CCC1(CC)CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446737104 382990685 /nfs/dbraw/zinc/99/06/85/382990685.db2.gz YOGIOKOBMDXIEI-HOCLYGCPSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000446765239 382993306 /nfs/dbraw/zinc/99/33/06/382993306.db2.gz NMEFWIBPQVVRSR-UHFFFAOYSA-N 0 3 290.363 2.888 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000338438133 383017638 /nfs/dbraw/zinc/01/76/38/383017638.db2.gz HVUREDWSUFDICD-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN CCNC(=O)OC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000495614739 383003232 /nfs/dbraw/zinc/00/32/32/383003232.db2.gz BKQFDWWBRXKRCO-AWEZNQCLSA-N 0 3 295.427 2.917 20 30 CFEDHN C[C@H](NCCC(=O)N1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000338363107 383004097 /nfs/dbraw/zinc/00/40/97/383004097.db2.gz RLAPXGZTMIPDIK-KBPBESRZSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@@H]1CN(CCC(C)(C)C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000495641518 383006337 /nfs/dbraw/zinc/00/63/37/383006337.db2.gz PXEROWKHJHDIGF-CHWSQXEVSA-N 0 3 295.427 2.771 20 30 CFEDHN CN(CCOc1ccccc1)CCOc1cccc(C#N)c1 ZINC000338381116 383013626 /nfs/dbraw/zinc/01/36/26/383013626.db2.gz WUFPLRLLUARPSE-UHFFFAOYSA-N 0 3 296.370 2.948 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000443315108 382967067 /nfs/dbraw/zinc/96/70/67/382967067.db2.gz BZRDXPWZORRQOI-JKIFEVAISA-N 0 3 275.367 2.659 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245621618 383016113 /nfs/dbraw/zinc/01/61/13/383016113.db2.gz FIRQIZHBWHMNCZ-IMJJTQAJSA-N 0 3 287.407 2.696 20 30 CFEDHN C[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000245888763 383044337 /nfs/dbraw/zinc/04/43/37/383044337.db2.gz JELHQISIPAJWFG-LSDHHAIUSA-N 0 3 291.439 2.649 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@@H](F)C2)cc1 ZINC000580329784 383079032 /nfs/dbraw/zinc/07/90/32/383079032.db2.gz MYXQFVDXLHCNGZ-OAGGEKHMSA-N 0 3 299.349 2.637 20 30 CFEDHN C[C@H](NCC1(C#N)CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496101149 383064139 /nfs/dbraw/zinc/06/41/39/383064139.db2.gz PPCXRUGFLNRCAH-LBPRGKRZSA-N 0 3 293.411 2.525 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1CCC(C)C ZINC000246545815 383080350 /nfs/dbraw/zinc/08/03/50/383080350.db2.gz AUOPRXAQYMVXLB-CVEARBPZSA-N 0 3 293.455 2.895 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc(C#N)cc2)C1 ZINC000245691892 383023491 /nfs/dbraw/zinc/02/34/91/383023491.db2.gz PVRIWEZEGPYZGC-GOEBONIOSA-N 0 3 298.390 2.506 20 30 CFEDHN CCN(C)C(=O)OC[C@H]1CCCCN1CCCCC#N ZINC000495768467 383024708 /nfs/dbraw/zinc/02/47/08/383024708.db2.gz FBFLRYRRYBNJHH-CQSZACIVSA-N 0 3 281.400 2.623 20 30 CFEDHN C[C@@H](C(=O)Nc1ccccc1CC#N)N1[C@H](C)CC[C@H]1C ZINC000580215188 383077802 /nfs/dbraw/zinc/07/78/02/383077802.db2.gz QNFNBKICTMDXHG-MCIONIFRSA-N 0 3 285.391 2.952 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496606731 383121478 /nfs/dbraw/zinc/12/14/78/383121478.db2.gz SZGMHULFBAVFHM-HZSPNIEDSA-N 0 3 295.427 2.914 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496606734 383121708 /nfs/dbraw/zinc/12/17/08/383121708.db2.gz SZGMHULFBAVFHM-RDBSUJKOSA-N 0 3 295.427 2.914 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC(C)(C)CC#N)C1 ZINC000496678850 383122702 /nfs/dbraw/zinc/12/27/02/383122702.db2.gz QOSCEUZEOMCIRQ-GFCCVEGCSA-N 0 3 281.400 2.525 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000554839989 383145809 /nfs/dbraw/zinc/14/58/09/383145809.db2.gz VWAQKEREGNIFSN-RHSMWYFYSA-N 0 3 293.455 2.941 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C12CCCC2 ZINC000554069174 383123832 /nfs/dbraw/zinc/12/38/32/383123832.db2.gz MACLRXVENCNOIN-HZPDHXFCSA-N 0 3 285.391 2.781 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000246969858 383126653 /nfs/dbraw/zinc/12/66/53/383126653.db2.gz GATUQSGWSMQWAS-IUODEOHRSA-N 0 3 272.396 2.711 20 30 CFEDHN CCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(CC)C1 ZINC000596458951 383127596 /nfs/dbraw/zinc/12/75/96/383127596.db2.gz YXFRZSKBOYVNMR-OAHLLOKOSA-N 0 3 286.379 2.506 20 30 CFEDHN CN(C)[C@H](CNc1cnccc1C#N)Cc1ccccc1 ZINC000339044089 383130224 /nfs/dbraw/zinc/13/02/24/383130224.db2.gz KSIMLNXCPUYTQT-INIZCTEOSA-N 0 3 280.375 2.538 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000246997219 383131070 /nfs/dbraw/zinc/13/10/70/383131070.db2.gz YRTYKNGPZBDSGM-JKSUJKDBSA-N 0 3 276.424 2.698 20 30 CFEDHN CC1(C)CC[C@@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000554406723 383134060 /nfs/dbraw/zinc/13/40/60/383134060.db2.gz ILBSTHWROIXMDZ-NEPJUHHUSA-N 0 3 289.404 2.503 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CCCC)CC1 ZINC000503314607 383139840 /nfs/dbraw/zinc/13/98/40/383139840.db2.gz RZOBCIYZOJMOND-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCOCCN1CCC(OC2CCCC2)CC1 ZINC000338945738 383094397 /nfs/dbraw/zinc/09/43/97/383094397.db2.gz SUHMDCMLXFLHMF-UHFFFAOYSA-N 0 3 253.386 2.613 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000496386499 383095325 /nfs/dbraw/zinc/09/53/25/383095325.db2.gz LWNLRPOZTJUTLS-HZSPNIEDSA-N 0 3 293.411 2.620 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)CCC[C@@H]1C ZINC000246709275 383095576 /nfs/dbraw/zinc/09/55/76/383095576.db2.gz LCRVEZFOZNRSIO-ZNMIVQPWSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C)CCCCC1 ZINC000448675711 383095645 /nfs/dbraw/zinc/09/56/45/383095645.db2.gz DCBMHMXMAVMDOF-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1CN(C)C ZINC000458258926 383144252 /nfs/dbraw/zinc/14/42/52/383144252.db2.gz FSGYJINALLTQGE-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000448920179 383106827 /nfs/dbraw/zinc/10/68/27/383106827.db2.gz GEXZWSMDTCWDIW-DZGCQCFKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000448919357 383106849 /nfs/dbraw/zinc/10/68/49/383106849.db2.gz ACPPUUDRGTVLHB-HOCLYGCPSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000448923966 383108097 /nfs/dbraw/zinc/10/80/97/383108097.db2.gz WSUAHNPSMSGOPW-QLFBSQMISA-N 0 3 278.440 2.825 20 30 CFEDHN CC(C)(C)OC(=O)NCCCN1CCC(CCC#N)CC1 ZINC000496542005 383113699 /nfs/dbraw/zinc/11/36/99/383113699.db2.gz GREJHDBVWJKKGJ-UHFFFAOYSA-N 0 3 295.427 2.917 20 30 CFEDHN C[C@H](NCC1(C#N)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000339164044 383172299 /nfs/dbraw/zinc/17/22/99/383172299.db2.gz AKERFPMHWTZMKB-NSHDSACASA-N 0 3 289.345 2.543 20 30 CFEDHN C[C@H]1CN(CC(C)(C)CCC#N)CC2(CCC2)O1 ZINC000564991118 383174564 /nfs/dbraw/zinc/17/45/64/383174564.db2.gz ZIZFOAWZEKOEED-ZDUSSCGKSA-N 0 3 250.386 2.960 20 30 CFEDHN COC(=O)CC1(NCCC2(C#N)CCCCC2)CC1 ZINC000565051379 383175347 /nfs/dbraw/zinc/17/53/47/383175347.db2.gz MPILLLNSUQRJBO-UHFFFAOYSA-N 0 3 264.369 2.536 20 30 CFEDHN C=CCCCCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000565784929 383181835 /nfs/dbraw/zinc/18/18/35/383181835.db2.gz XJRTZEMGMAIVRK-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCOCCN1Cc2ccccc2OC(C)(C)C1 ZINC000339205011 383182987 /nfs/dbraw/zinc/18/29/87/383182987.db2.gz LWCKBDUOSCYQQD-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN CC[C@H](C)N[C@H](CNC[C@H](C#N)CCC#N)c1ccco1 ZINC000566120083 383183803 /nfs/dbraw/zinc/18/38/03/383183803.db2.gz GGNZLUAESSBCON-SOUVJXGZSA-N 0 3 288.395 2.742 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235965 383185180 /nfs/dbraw/zinc/18/51/80/383185180.db2.gz IETLYSOGZQSGSS-ONGXEEELSA-N 0 3 271.282 2.618 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000566407415 383186195 /nfs/dbraw/zinc/18/61/95/383186195.db2.gz VABRPDKONWZBPZ-OCCSQVGLSA-N 0 3 258.365 2.505 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCCCC1 ZINC000339349502 383190588 /nfs/dbraw/zinc/19/05/88/383190588.db2.gz NNUUBXSJZGCGRQ-OAHLLOKOSA-N 0 3 256.349 2.771 20 30 CFEDHN CC[C@H](C)CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000247732797 383193670 /nfs/dbraw/zinc/19/36/70/383193670.db2.gz VAXJSHXEMDQRPG-BBRMVZONSA-N 0 3 285.391 2.641 20 30 CFEDHN CCN1CC[C@@H]2OCCN(CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000339388448 383193909 /nfs/dbraw/zinc/19/39/09/383193909.db2.gz ZPVHWGSLSSRBDU-CVEARBPZSA-N 0 3 293.455 2.501 20 30 CFEDHN CC1(C)CCC[C@]1(O)CNCc1ccc(C#N)cc1F ZINC000339469610 383209303 /nfs/dbraw/zinc/20/93/03/383209303.db2.gz QODLXFZNSSNTAB-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCn1c(SC[C@@H]2CCCC[N@H+]2C(C)C)n[n-]c1=O ZINC000339113828 383154108 /nfs/dbraw/zinc/15/41/08/383154108.db2.gz IICHUSAZEXFTAK-LBPRGKRZSA-N 0 3 296.440 2.525 20 30 CFEDHN C=CCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)n[n-]c1=O ZINC000339113828 383154111 /nfs/dbraw/zinc/15/41/11/383154111.db2.gz IICHUSAZEXFTAK-LBPRGKRZSA-N 0 3 296.440 2.525 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000562524487 383159078 /nfs/dbraw/zinc/15/90/78/383159078.db2.gz WUYRQDFMCURCSI-JQWIXIFHSA-N 0 3 299.296 2.805 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)Cc1ccc(F)cc1 ZINC000339135893 383162388 /nfs/dbraw/zinc/16/23/88/383162388.db2.gz WQYVCAAKQSMLHZ-HOTGVXAUSA-N 0 3 263.356 2.770 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000516573321 383165387 /nfs/dbraw/zinc/16/53/87/383165387.db2.gz ZKPDKBDHBHGKKD-CYBMUJFWSA-N 0 3 266.429 2.777 20 30 CFEDHN CC(C)N(CCC#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000520201484 383251263 /nfs/dbraw/zinc/25/12/63/383251263.db2.gz SHBFYYJMTWTWND-INIZCTEOSA-N 0 3 287.407 2.830 20 30 CFEDHN C[C@@H]1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000248577931 383263539 /nfs/dbraw/zinc/26/35/39/383263539.db2.gz URXMJJBIUJVQEF-MDZLAQPJSA-N 0 3 291.420 2.973 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000424814927 383269217 /nfs/dbraw/zinc/26/92/17/383269217.db2.gz WUSFWXRKRNTSFI-UHFFFAOYSA-N 0 3 266.429 2.827 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000520692036 383270121 /nfs/dbraw/zinc/27/01/21/383270121.db2.gz MFLIXGVGAQIYCM-GOEBONIOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000424643930 383219039 /nfs/dbraw/zinc/21/90/39/383219039.db2.gz GQHSQCDKAGDSEO-DZGCQCFKSA-N 0 3 264.413 2.579 20 30 CFEDHN Cn1cccc1[C@@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000248297427 383222244 /nfs/dbraw/zinc/22/22/44/383222244.db2.gz ZLYVGMPKEOLAIL-ZWKOTPCHSA-N 0 3 295.386 2.767 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000339509294 383224359 /nfs/dbraw/zinc/22/43/59/383224359.db2.gz JGQRVFUPZKBDLM-GXTWGEPZSA-N 0 3 269.373 2.908 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCN1CC ZINC000424670356 383226998 /nfs/dbraw/zinc/22/69/98/383226998.db2.gz VRSWHAVZULHTNW-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN N#Cc1csc(CNC[C@@H](CO)C2CCCCC2)c1 ZINC000339520157 383230031 /nfs/dbraw/zinc/23/00/31/383230031.db2.gz XYRJJQWQMVTPNB-AWEZNQCLSA-N 0 3 278.421 2.898 20 30 CFEDHN C=CCCC(C)(C)CN[C@H](C(N)=O)c1ccccc1 ZINC000634576216 383242779 /nfs/dbraw/zinc/24/27/79/383242779.db2.gz MDWPXNJVFHRFCD-AWEZNQCLSA-N 0 3 260.381 2.795 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339670337 383280617 /nfs/dbraw/zinc/28/06/17/383280617.db2.gz BGOCOSAIHKRZHP-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000425125464 383327022 /nfs/dbraw/zinc/32/70/22/383327022.db2.gz GLTYNQZAIMWPKR-RBSFLKMASA-N 0 3 299.418 2.950 20 30 CFEDHN CC[C@@H](CNc1c(C#N)cccc1[N+](=O)[O-])N1CCCC1 ZINC000425207069 383340604 /nfs/dbraw/zinc/34/06/04/383340604.db2.gz MFBFIFHJAKCERH-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)[C@@H](CO)[C@@H](NCc1ccccc1C#N)C(C)C ZINC000449508797 383344312 /nfs/dbraw/zinc/34/43/12/383344312.db2.gz HSMOIIBKZBAVSJ-SJORKVTESA-N 0 3 274.408 2.937 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([O-])c2nc(C)ccc12 ZINC000567573367 383287754 /nfs/dbraw/zinc/28/77/54/383287754.db2.gz FCMPZOKLIIPUTP-ZBFHGGJFSA-N 0 3 284.359 2.682 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000459468981 383289028 /nfs/dbraw/zinc/28/90/28/383289028.db2.gz UDDRFTJULPXITN-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN C=C(C)COc1cccc(NC[C@@H](O)CN(C)C2CC2)c1 ZINC000567701451 383304933 /nfs/dbraw/zinc/30/49/33/383304933.db2.gz CKFXUXBXDGARCH-MRXNPFEDSA-N 0 3 290.407 2.509 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC(CC(F)F)C1 ZINC000425072484 383319260 /nfs/dbraw/zinc/31/92/60/383319260.db2.gz COWCEIJWQVYVIZ-AWEZNQCLSA-N 0 3 292.329 2.873 20 30 CFEDHN C=CC(C)(C)CNCc1ccc(C(=O)OCC)o1 ZINC000449487536 383325740 /nfs/dbraw/zinc/32/57/40/383325740.db2.gz YYAYAXVQKQCYIK-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1O ZINC000426229114 383396710 /nfs/dbraw/zinc/39/67/10/383396710.db2.gz VVGLYQPQYGEXOB-HZPDHXFCSA-N 0 3 277.795 2.927 20 30 CFEDHN N#CCCN(C(=O)CN1CC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000426465801 383402035 /nfs/dbraw/zinc/40/20/35/383402035.db2.gz CFKRUQAFMFHRHR-WBVHZDCISA-N 0 3 297.402 2.808 20 30 CFEDHN C=CCCCCN1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000568474740 383405251 /nfs/dbraw/zinc/40/52/51/383405251.db2.gz ODYBEURDCLTLFL-RRFJBIMHSA-N 0 3 253.386 2.611 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc(N(C)CCOC)nc1 ZINC000426554359 383405754 /nfs/dbraw/zinc/40/57/54/383405754.db2.gz VCFFEFAANPBLEA-INIZCTEOSA-N 0 3 289.423 2.705 20 30 CFEDHN C=CCCCC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000479625430 383410255 /nfs/dbraw/zinc/41/02/55/383410255.db2.gz UEXBQANEUVIMFT-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[C@H](C)N[C@H](CNc1cc(C)ncc1C#N)c1ccco1 ZINC000425255897 383351244 /nfs/dbraw/zinc/35/12/44/383351244.db2.gz QNAYAQDZGFQJMT-BLLLJJGKSA-N 0 3 298.390 2.818 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000449523167 383353451 /nfs/dbraw/zinc/35/34/51/383353451.db2.gz WTMSPGLAKOEPJM-OLZOCXBDSA-N 0 3 295.766 2.544 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C\c1ccccc1OC ZINC000449524337 383353487 /nfs/dbraw/zinc/35/34/87/383353487.db2.gz ZSGDJISFIYBLGQ-XCRGBYMUSA-N 0 3 259.349 2.642 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCCOC)cc1 ZINC000449548982 383355212 /nfs/dbraw/zinc/35/52/12/383355212.db2.gz SRJDTUPONKAQDE-SJORKVTESA-N 0 3 291.391 2.535 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(C)ccc1OC ZINC000449548989 383355648 /nfs/dbraw/zinc/35/56/48/383355648.db2.gz STJQHNIIVHXABP-CABCVRRESA-N 0 3 261.365 2.827 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCC(C)CC2)CCCC1 ZINC000449610580 383357401 /nfs/dbraw/zinc/35/74/01/383357401.db2.gz HAUGYDXBMASOMA-UHFFFAOYSA-N 0 3 278.440 2.971 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(CC(C)C)s1 ZINC000449698869 383362358 /nfs/dbraw/zinc/36/23/58/383362358.db2.gz PNDBNYXZLGEAPZ-LBPRGKRZSA-N 0 3 268.426 2.758 20 30 CFEDHN C=C(CC)CNCc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000449735000 383362859 /nfs/dbraw/zinc/36/28/59/383362859.db2.gz SRZAPZCYCWZYDN-UHFFFAOYSA-N 0 3 293.411 2.507 20 30 CFEDHN C=C(CC)CNCc1cn(-c2ccncc2)nc1C ZINC000449733288 383363106 /nfs/dbraw/zinc/36/31/06/383363106.db2.gz HDNLJRHXDRAMNE-UHFFFAOYSA-N 0 3 256.353 2.632 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCCN(CC)C2)CCCC1 ZINC000449818394 383366035 /nfs/dbraw/zinc/36/60/35/383366035.db2.gz DXVUKDCDMUADGI-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCC1(C(=O)NCCN(CC)C2CC2)CCCC1 ZINC000449842191 383367235 /nfs/dbraw/zinc/36/72/35/383367235.db2.gz XYYPJSOAYHOWFF-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN COc1ccc(CN2CCC[C@H]3COCC[C@@H]32)cc1C#N ZINC000340198726 383378734 /nfs/dbraw/zinc/37/87/34/383378734.db2.gz QVSSQROWUQAEFU-HOCLYGCPSA-N 0 3 286.375 2.568 20 30 CFEDHN C=CCNC(=O)CN1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000425534973 383383538 /nfs/dbraw/zinc/38/35/38/383383538.db2.gz BZZQJWAQAQHEAR-OAHLLOKOSA-N 0 3 272.392 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000475635234 383387232 /nfs/dbraw/zinc/38/72/32/383387232.db2.gz BEAJPOPYVALPOM-ZBFHGGJFSA-N 0 3 278.440 2.969 20 30 CFEDHN CO[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000340490665 383441232 /nfs/dbraw/zinc/44/12/32/383441232.db2.gz OOLKUGURVXCWFX-BONVTDFDSA-N 0 3 262.328 2.773 20 30 CFEDHN O[C@@H]1CCC[C@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC000253091255 383442615 /nfs/dbraw/zinc/44/26/15/383442615.db2.gz JJNLNOPTCMETGD-RCCFBDPRSA-N 0 3 269.388 2.664 20 30 CFEDHN C=CCNC(=O)CNC(C)(C)c1ccc(OCCC)cc1 ZINC000483277123 383444263 /nfs/dbraw/zinc/44/42/63/383444263.db2.gz JMCDPAIRDYCTSZ-UHFFFAOYSA-N 0 3 290.407 2.602 20 30 CFEDHN C[C@H](NCCSCc1ccccc1C#N)c1cn[nH]c1 ZINC000340520987 383454562 /nfs/dbraw/zinc/45/45/62/383454562.db2.gz BMQHCSYHYZNQPF-LBPRGKRZSA-N 0 3 286.404 2.865 20 30 CFEDHN C=CCCCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000569068467 383464438 /nfs/dbraw/zinc/46/44/38/383464438.db2.gz NQRNPIXPWCXNDT-UHFFFAOYSA-N 0 3 291.317 2.725 20 30 CFEDHN CC1CC(C#N)(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000527363598 383469633 /nfs/dbraw/zinc/46/96/33/383469633.db2.gz MYUQKFUXFSOUGS-UHFFFAOYSA-N 0 3 285.391 2.669 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@H]4CCC[C@H]43)n2c1 ZINC000428463497 383479166 /nfs/dbraw/zinc/47/91/66/383479166.db2.gz VQKMUYXGRWJNNZ-UKRRQHHQSA-N 0 3 266.348 2.580 20 30 CFEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000429569011 383547903 /nfs/dbraw/zinc/54/79/03/383547903.db2.gz RLCBNGZYHVWDOB-HUUCEWRRSA-N 0 3 291.439 2.792 20 30 CFEDHN COC(=O)C[C@H](NCC1(C#N)CCC1)C1CCCCC1 ZINC000450725273 383484179 /nfs/dbraw/zinc/48/41/79/383484179.db2.gz IHXIOEHHEDYUIA-AWEZNQCLSA-N 0 3 278.396 2.782 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1C ZINC000488000429 383486482 /nfs/dbraw/zinc/48/64/82/383486482.db2.gz FITQAGFFLUIEOQ-MRXNPFEDSA-N 0 3 291.826 2.984 20 30 CFEDHN CN1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21 ZINC000450785734 383490774 /nfs/dbraw/zinc/49/07/74/383490774.db2.gz GFJDPOROEOIMKM-YGRLFVJLSA-N 0 3 295.308 2.717 20 30 CFEDHN C=CCC(C)(C)c1noc(CC2CCN(C)CC2)n1 ZINC000340835309 383496707 /nfs/dbraw/zinc/49/67/07/383496707.db2.gz ZTPKOQWNZCYIFR-UHFFFAOYSA-N 0 3 263.385 2.808 20 30 CFEDHN CCOC[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488453286 383543606 /nfs/dbraw/zinc/54/36/06/383543606.db2.gz ZCEGRIGEOOOEFJ-OAHLLOKOSA-N 0 3 258.365 2.725 20 30 CFEDHN COCCC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000528572769 383580949 /nfs/dbraw/zinc/58/09/49/383580949.db2.gz HHTAKDRESRHMGP-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN Cc1ncc(CNCC2(CC#N)CC2)n1-c1ccccc1 ZINC000430020893 383584105 /nfs/dbraw/zinc/58/41/05/383584105.db2.gz QFFQWGDUYKJGOP-UHFFFAOYSA-N 0 3 280.375 2.964 20 30 CFEDHN Cc1cc(CN2CCN(C)[C@@H](C(C)C)C2)ccc1C#N ZINC000488988651 383589588 /nfs/dbraw/zinc/58/95/88/383589588.db2.gz UFCSUYMTOIOPHY-QGZVFWFLSA-N 0 3 271.408 2.639 20 30 CFEDHN C=C(CC)CN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000430283775 383592647 /nfs/dbraw/zinc/59/26/47/383592647.db2.gz KSZBITXUOBYRFJ-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN COCCc1nc(C)c([C@H](C)NCC2(CC#N)CC2)s1 ZINC000430725658 383596765 /nfs/dbraw/zinc/59/67/65/383596765.db2.gz RKOVICJKNWLNRC-NSHDSACASA-N 0 3 293.436 2.985 20 30 CFEDHN CC1(C)CCCN1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000450947860 383563055 /nfs/dbraw/zinc/56/30/55/383563055.db2.gz DIDMIZOUIJRTHR-UHFFFAOYSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)(C)CCN1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429727416 383563510 /nfs/dbraw/zinc/56/35/10/383563510.db2.gz WZTCMXKKHBGNRX-GJZGRUSLSA-N 0 3 263.429 2.732 20 30 CFEDHN C=CCN(C)CCN(CC)CCOc1ccc(F)cc1 ZINC000429720698 383564181 /nfs/dbraw/zinc/56/41/81/383564181.db2.gz FSWRNWIZTJNMBK-UHFFFAOYSA-N 0 3 280.387 2.644 20 30 CFEDHN C=CCN(CC/C=C/c1cncc(OC)c1)CCOC ZINC000570039364 383564338 /nfs/dbraw/zinc/56/43/38/383564338.db2.gz SYZZFAQULOUDTL-FNORWQNLSA-N 0 3 276.380 2.628 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)c2nccc(C#N)c2Cl)C1 ZINC000450959832 383568699 /nfs/dbraw/zinc/56/86/99/383568699.db2.gz ZBIMWEZFZJDTJH-GFCCVEGCSA-N 0 3 278.787 2.526 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000429835399 383571913 /nfs/dbraw/zinc/57/19/13/383571913.db2.gz ARLGQLACCUIRJI-KGLIPLIRSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1nccs1 ZINC000280892130 195017051 /nfs/dbraw/zinc/01/70/51/195017051.db2.gz QEVYSWOXRRXBBJ-SRVKXCTJSA-N 0 3 252.383 2.775 20 30 CFEDHN COc1cc(C#N)ccc1OCCN(C)[C@@H]1CC1(C)C ZINC000489393886 383613537 /nfs/dbraw/zinc/61/35/37/383613537.db2.gz BULWKOBBTOYMAO-OAHLLOKOSA-N 0 3 274.364 2.676 20 30 CFEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000489427895 383618187 /nfs/dbraw/zinc/61/81/87/383618187.db2.gz MZTNCJGIKIZEGN-INIZCTEOSA-N 0 3 283.375 2.927 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451490986 383626658 /nfs/dbraw/zinc/62/66/58/383626658.db2.gz DURJUQXFGXBJRV-ARFHVFGLSA-N 0 3 286.350 2.745 20 30 CFEDHN Cc1nc(CN[C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433022115 383752645 /nfs/dbraw/zinc/75/26/45/383752645.db2.gz ITYVUEMJDANCPU-AWEZNQCLSA-N 0 3 269.352 2.638 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000572104959 383754702 /nfs/dbraw/zinc/75/47/02/383754702.db2.gz RIIAQGMTGHOZPM-KGLIPLIRSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](COC)[C@@H]2CCCO2)cc1 ZINC000433183736 383756441 /nfs/dbraw/zinc/75/64/41/383756441.db2.gz VLVRJRKTQOHZRA-IRXDYDNUSA-N 0 3 291.391 2.535 20 30 CFEDHN CC1(C)CCC[C@H]1CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000530126049 383766882 /nfs/dbraw/zinc/76/68/82/383766882.db2.gz OASUWMRWGHOAQB-HOTGVXAUSA-N 0 3 299.418 2.891 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C1(CC)CC ZINC000434343015 383767963 /nfs/dbraw/zinc/76/79/63/383767963.db2.gz TUAAGVWXYIPISV-YNEHKIRRSA-N 0 3 266.385 2.588 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434753059 383771502 /nfs/dbraw/zinc/77/15/02/383771502.db2.gz PICJPZXJWWTOGS-CRAIPNDOSA-N 0 3 286.419 2.649 20 30 CFEDHN C=C(C)CN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434985361 383772663 /nfs/dbraw/zinc/77/26/63/383772663.db2.gz IEIAAMSOXAKXMR-UHFFFAOYSA-N 0 3 295.390 2.867 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(Cl)s1 ZINC000435731821 383778723 /nfs/dbraw/zinc/77/87/23/383778723.db2.gz NDPXHNHJXCDVOU-JOYOIKCWSA-N 0 3 272.801 2.867 20 30 CFEDHN CCCN(C)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000436349956 383808128 /nfs/dbraw/zinc/80/81/28/383808128.db2.gz FFCKTOAIWBNPMZ-IAGOWNOFSA-N 0 3 299.418 2.627 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000264995738 383813500 /nfs/dbraw/zinc/81/35/00/383813500.db2.gz CJLRHTHVCCGDMT-INIZCTEOSA-N 0 3 288.391 2.837 20 30 CFEDHN C=CCN1CC[C@@H](NC2(c3cccc(C)c3)CCC2)C1=O ZINC000646022416 383823764 /nfs/dbraw/zinc/82/37/64/383823764.db2.gz CIGORZAYGFQXDW-MRXNPFEDSA-N 0 3 284.403 2.751 20 30 CFEDHN COc1ccccc1OCCNCc1cc(C#N)cs1 ZINC000530640481 383780663 /nfs/dbraw/zinc/78/06/63/383780663.db2.gz YIKYLBFVWGWXMP-UHFFFAOYSA-N 0 3 288.372 2.797 20 30 CFEDHN C=C(C)CN(CCC[C@@H]1CCOC1)Cc1ccc(CO)o1 ZINC000645910822 383790022 /nfs/dbraw/zinc/79/00/22/383790022.db2.gz YCCFZEZSRYSFSH-OAHLLOKOSA-N 0 3 293.407 2.967 20 30 CFEDHN C=CC[C@H](CC)N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000280984537 195058212 /nfs/dbraw/zinc/05/82/12/195058212.db2.gz IPINUDKZSWRZME-HOCLYGCPSA-N 0 3 272.392 2.951 20 30 CFEDHN CC1=CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000436252900 383792296 /nfs/dbraw/zinc/79/22/96/383792296.db2.gz KDHOMFXTTPKOTQ-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN C=CCCCCN1CCN(c2cnccc2C)CC1 ZINC000572573016 383793626 /nfs/dbraw/zinc/79/36/26/383793626.db2.gz RTZGXCQSNYVOGN-UHFFFAOYSA-N 0 3 259.397 2.868 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640445339 383795191 /nfs/dbraw/zinc/79/51/91/383795191.db2.gz UIQSAJJPCIVZEN-QGZVFWFLSA-N 0 3 287.407 2.723 20 30 CFEDHN CC(C)[C@](C)(CO)NCC#Cc1cccc(Cl)c1 ZINC000572891884 383835783 /nfs/dbraw/zinc/83/57/83/383835783.db2.gz YXROGIUFAFRCND-HNNXBMFYSA-N 0 3 265.784 2.688 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)C2CC2)cc1Cl ZINC000265207096 383861379 /nfs/dbraw/zinc/86/13/79/383861379.db2.gz CJKMQBZQBFUFOT-AWEZNQCLSA-N 0 3 281.783 2.765 20 30 CFEDHN Cc1ccc(CCNCc2ccc(C#N)cc2F)nc1 ZINC000453594432 383865349 /nfs/dbraw/zinc/86/53/49/383865349.db2.gz BSMZELQOZUZUCT-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000265427869 383914619 /nfs/dbraw/zinc/91/46/19/383914619.db2.gz MCYVRQJIEZNJLC-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN Cc1cc(C#N)nc(NC[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000281048986 195082622 /nfs/dbraw/zinc/08/26/22/195082622.db2.gz WUBAOORVMNGNDT-HNNXBMFYSA-N 0 3 299.353 2.511 20 30 CFEDHN CC[C@@H](C(=O)N[C@H](C)c1ccc(C#N)cc1)N(CC)CC ZINC000265473231 383925736 /nfs/dbraw/zinc/92/57/36/383925736.db2.gz SJKIDDCNHCDGSM-CJNGLKHVSA-N 0 3 287.407 2.856 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC(c2ncc[nH]2)CC1 ZINC000265479201 383927409 /nfs/dbraw/zinc/92/74/09/383927409.db2.gz KLDGQMNFMGSLOP-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000192161749 533020768 /nfs/dbraw/zinc/02/07/68/533020768.db2.gz ZIVWGDLZPCUECS-DOTOQJQBSA-N 0 3 284.403 2.569 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)[C@H]1SC ZINC000573250876 383897817 /nfs/dbraw/zinc/89/78/17/383897817.db2.gz IQECMZIOIDSXPC-BZUAXINKSA-N 0 3 290.432 2.751 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1 ZINC000438343209 383986416 /nfs/dbraw/zinc/98/64/16/383986416.db2.gz RMCFUAOATRTZJV-INIZCTEOSA-N 0 3 275.392 2.844 20 30 CFEDHN CN(CCN1CCCC1=O)Cc1ccccc1C(C)(C)C#N ZINC000532267782 384002969 /nfs/dbraw/zinc/00/29/69/384002969.db2.gz BUQKCFSWMFPKNT-UHFFFAOYSA-N 0 3 299.418 2.542 20 30 CFEDHN N#Cc1cccc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000265518278 383937355 /nfs/dbraw/zinc/93/73/55/383937355.db2.gz SFEWIMANOAZEEM-UHFFFAOYSA-N 0 3 266.348 2.661 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000265523699 383939359 /nfs/dbraw/zinc/93/93/59/383939359.db2.gz OMJXDOKDTQNVAI-CJNGLKHVSA-N 0 3 298.386 2.894 20 30 CFEDHN C=C1CCN(CCc2nc3ccccc3n2C)CC1 ZINC000265535421 383941006 /nfs/dbraw/zinc/94/10/06/383941006.db2.gz VODCYBDWUSLWRL-UHFFFAOYSA-N 0 3 255.365 2.768 20 30 CFEDHN COc1cccc([C@H](CNc2cccc(C#N)n2)N(C)C)c1 ZINC000265561428 383945390 /nfs/dbraw/zinc/94/53/90/383945390.db2.gz SNOLJJOURXNWCA-INIZCTEOSA-N 0 3 296.374 2.677 20 30 CFEDHN C[C@H]1CSCCN1Cc1ccc(OCC#N)cc1 ZINC000265671931 383972737 /nfs/dbraw/zinc/97/27/37/383972737.db2.gz XAQHDADAEQLCQB-LBPRGKRZSA-N 0 3 262.378 2.526 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000637321371 384026777 /nfs/dbraw/zinc/02/67/77/384026777.db2.gz GRTVTFRCNLKNEH-CQSZACIVSA-N 0 3 295.471 2.960 20 30 CFEDHN N#CCCCOc1cccc(CN(CCO)C2CCC2)c1 ZINC000439786363 384038343 /nfs/dbraw/zinc/03/83/43/384038343.db2.gz CQCCUJZHUBALEN-UHFFFAOYSA-N 0 3 288.391 2.716 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C1CCC(CO)CC1 ZINC000574305462 384077411 /nfs/dbraw/zinc/07/74/11/384077411.db2.gz NCXSFPVEQPPZAW-UHFFFAOYSA-N 0 3 264.394 2.603 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)[C@@H]1CCCO1 ZINC000440627836 384116291 /nfs/dbraw/zinc/11/62/91/384116291.db2.gz VMATUNJWDCWXTJ-CABCVRRESA-N 0 3 274.364 2.614 20 30 CFEDHN Cc1c(C#N)c(NC[C@@H]2CCCN(C)C2)nc2ccccc12 ZINC000574876141 384157064 /nfs/dbraw/zinc/15/70/64/384157064.db2.gz WVHJMRJVXLRSRD-AWEZNQCLSA-N 0 3 294.402 2.591 20 30 CFEDHN Cn1cc(CNCCc2nc3ccccc3s2)cc1C#N ZINC000277120874 384206883 /nfs/dbraw/zinc/20/68/83/384206883.db2.gz VKKJOSISUQTERQ-UHFFFAOYSA-N 0 3 296.399 2.839 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CO)C/C=C/C ZINC000641747966 384314256 /nfs/dbraw/zinc/31/42/56/384314256.db2.gz MSJWBXWUDDCAHR-UJAVWCLSSA-N 0 3 261.365 2.668 20 30 CFEDHN N#Cc1c(NC[C@H]2CCCCN2C2CC2)nc2ccccn12 ZINC000277555854 384336444 /nfs/dbraw/zinc/33/64/44/384336444.db2.gz YDDKGRRSWXQTJX-CQSZACIVSA-N 0 3 295.390 2.635 20 30 CFEDHN C[C@@H](Cn1cccn1)NCC#Cc1ccc(Cl)cc1 ZINC000267369917 384371913 /nfs/dbraw/zinc/37/19/13/384371913.db2.gz JXRZSDNIESHEMV-ZDUSSCGKSA-N 0 3 273.767 2.566 20 30 CFEDHN CC#CC[C@H](CO)NC/C(C)=C\c1ccccc1COC ZINC000641766705 384331825 /nfs/dbraw/zinc/33/18/25/384331825.db2.gz APPPFHITGCPJQV-VHUCWBOISA-N 0 3 287.403 2.600 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C2CCC2)cc1 ZINC000641766876 384332080 /nfs/dbraw/zinc/33/20/80/384332080.db2.gz CUKCCQQPDFYFNH-QGZVFWFLSA-N 0 3 257.377 2.818 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(SC)o1 ZINC000641766126 384332260 /nfs/dbraw/zinc/33/22/60/384332260.db2.gz WNAGDGGNDQNQOT-JQWIXIFHSA-N 0 3 253.367 2.682 20 30 CFEDHN C[C@@H](O)[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000267392236 384377006 /nfs/dbraw/zinc/37/70/06/384377006.db2.gz PDHLTPVIBYQTAZ-CZUORRHYSA-N 0 3 277.795 2.927 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267401981 384380024 /nfs/dbraw/zinc/38/00/24/384380024.db2.gz JJAMAMQUBSPQOY-WBVHZDCISA-N 0 3 286.419 2.979 20 30 CFEDHN C=CC[C@@H]1N(Cc2cc(=O)c(O)co2)CCCC1(C)C ZINC000277933159 384442293 /nfs/dbraw/zinc/44/22/93/384442293.db2.gz YVKFISGBDWBREL-HNNXBMFYSA-N 0 3 277.364 2.912 20 30 CFEDHN COC(=O)c1cc(CN[C@H](C)c2ccc(C#N)cc2)c[nH]1 ZINC000267792496 384465479 /nfs/dbraw/zinc/46/54/79/384465479.db2.gz GYGZMZAUUAYSAZ-LLVKDONJSA-N 0 3 283.331 2.524 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)=C2CCCC2)CC1 ZINC000267837891 384475742 /nfs/dbraw/zinc/47/57/42/384475742.db2.gz GSHDDSJDVGMMRT-UHFFFAOYSA-N 0 3 262.397 2.644 20 30 CFEDHN C#C[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289387030 197323209 /nfs/dbraw/zinc/32/32/09/197323209.db2.gz NCQWTHSGLIUIEV-ZIAGYGMSSA-N 0 3 258.365 2.632 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1-c1ccccc1)C(C)C ZINC000289317680 197294529 /nfs/dbraw/zinc/29/45/29/197294529.db2.gz FKWPSDZWGBXVNI-INIZCTEOSA-N 0 3 267.376 2.835 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1snnc1C)C(C)C ZINC000638356660 384578707 /nfs/dbraw/zinc/57/87/07/384578707.db2.gz JUKVLLBVIVIDGL-CQSZACIVSA-N 0 3 294.468 2.635 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1ccns1)C(C)C ZINC000638357822 384580608 /nfs/dbraw/zinc/58/06/08/384580608.db2.gz UXQHLDSOGVJMCZ-HNNXBMFYSA-N 0 3 279.453 2.931 20 30 CFEDHN CC#CCCN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000680882721 542378023 /nfs/dbraw/zinc/37/80/23/542378023.db2.gz NDAGXQAYLOGCKI-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN CC#CCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278885449 384599735 /nfs/dbraw/zinc/59/97/35/384599735.db2.gz NPOKOMRTINCFFT-UHFFFAOYSA-N 0 3 271.408 2.812 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CSC ZINC000279440735 384639721 /nfs/dbraw/zinc/63/97/21/384639721.db2.gz YOBQVLWCEHCTQC-HNNXBMFYSA-N 0 3 265.422 2.789 20 30 CFEDHN CC[C@H](NCc1ccc(C)n(C)c1=O)c1ccc(C#N)cc1 ZINC000279488860 384653503 /nfs/dbraw/zinc/65/35/03/384653503.db2.gz LNZKMGGPQPJXDG-KRWDZBQOSA-N 0 3 295.386 2.806 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)C1 ZINC000638471890 384683704 /nfs/dbraw/zinc/68/37/04/384683704.db2.gz MUFOQVNLTUNKLL-SQWLQELKSA-N 0 3 272.392 2.747 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1C[C@H](C)O ZINC000279718144 384735965 /nfs/dbraw/zinc/73/59/65/384735965.db2.gz IQMCVVHTVVXSAD-XJKSGUPXSA-N 0 3 288.391 2.692 20 30 CFEDHN C=CCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000269677695 384831988 /nfs/dbraw/zinc/83/19/88/384831988.db2.gz XCQSZQUTJBYYCS-UHFFFAOYSA-N 0 3 261.291 2.837 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269684713 384835342 /nfs/dbraw/zinc/83/53/42/384835342.db2.gz ZMKJKFOJVCQBSQ-AWEZNQCLSA-N 0 3 264.325 2.526 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000269794193 384868593 /nfs/dbraw/zinc/86/85/93/384868593.db2.gz KICDSPJRVMFXSE-CZUORRHYSA-N 0 3 277.795 2.927 20 30 CFEDHN N#Cc1cnc2ccccc2c1NCCN1CC=CCC1 ZINC000280174272 384914396 /nfs/dbraw/zinc/91/43/96/384914396.db2.gz HLANVYXVNKXXNZ-UHFFFAOYSA-N 0 3 278.359 2.780 20 30 CFEDHN CN(C)[C@H](CNc1cnccc1C#N)c1ccc(F)cc1 ZINC000269959950 384921340 /nfs/dbraw/zinc/92/13/40/384921340.db2.gz LNOBASUHEQXFNR-MRXNPFEDSA-N 0 3 284.338 2.807 20 30 CFEDHN CN(C)[C@@H](CNc1cnccc1C#N)c1cccc(F)c1 ZINC000269964648 384923196 /nfs/dbraw/zinc/92/31/96/384923196.db2.gz MWWPEIZIWWUMSC-INIZCTEOSA-N 0 3 284.338 2.807 20 30 CFEDHN C=CCN1CCC(Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000269979640 384929530 /nfs/dbraw/zinc/92/95/30/384929530.db2.gz QQZMZWYHGYNKDB-UHFFFAOYSA-N 0 3 286.301 2.558 20 30 CFEDHN C=C(C)CN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000280254837 384945719 /nfs/dbraw/zinc/94/57/19/384945719.db2.gz BTRWTQOJTCSNGC-UHFFFAOYSA-N 0 3 259.393 2.941 20 30 CFEDHN C[C@H](CO)N(Cc1ccc(C#N)cc1F)CC1CCC1 ZINC000280366580 384992202 /nfs/dbraw/zinc/99/22/02/384992202.db2.gz KDLJLGVTROBBHI-GFCCVEGCSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)C1(NC2CC2)CCC1 ZINC000638866749 385000314 /nfs/dbraw/zinc/00/03/14/385000314.db2.gz UGGBBUBVTMDALJ-UHFFFAOYSA-N 0 3 264.413 2.770 20 30 CFEDHN CC[C@H](C(=O)N1CCc2ccc(C#N)cc21)N(CC)CC ZINC000270231754 385023377 /nfs/dbraw/zinc/02/33/77/385023377.db2.gz MSLAZKBFMIWQMD-OAHLLOKOSA-N 0 3 285.391 2.568 20 30 CFEDHN C=CCOCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000638970557 385063623 /nfs/dbraw/zinc/06/36/23/385063623.db2.gz QEUHQMWTSMYGMP-UHFFFAOYSA-N 0 3 278.302 2.805 20 30 CFEDHN C[C@@H](CO)N(Cc1cc(C#N)ccc1F)CC1CCC1 ZINC000280520896 385043856 /nfs/dbraw/zinc/04/38/56/385043856.db2.gz OFYHYZGJUNDKEG-LBPRGKRZSA-N 0 3 276.355 2.680 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000280624865 385089381 /nfs/dbraw/zinc/08/93/81/385089381.db2.gz LLMBOXJLMWLFNV-XJKSGUPXSA-N 0 3 261.365 2.771 20 30 CFEDHN N#Cc1ccc(CNCC[C@H](O)c2ccccc2)s1 ZINC000289181631 197255739 /nfs/dbraw/zinc/25/57/39/197255739.db2.gz AOJLIHUAEACYLS-HNNXBMFYSA-N 0 3 272.373 2.833 20 30 CFEDHN C=CCOCCN1CCC2(CC1)OCc1ccccc12 ZINC000645091356 385183574 /nfs/dbraw/zinc/18/35/74/385183574.db2.gz UMKWWZPXNKJJOM-UHFFFAOYSA-N 0 3 273.376 2.711 20 30 CFEDHN C=CC[C@@H](CC)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000281296556 385190160 /nfs/dbraw/zinc/19/01/60/385190160.db2.gz PLONNQDOYOOJMW-GFCCVEGCSA-N 0 3 265.353 2.854 20 30 CFEDHN C[C@@H](C[C@H](O)c1cccs1)NCc1ccc(C#N)o1 ZINC000270691473 385192354 /nfs/dbraw/zinc/19/23/54/385192354.db2.gz VZEAGDJTMWDHMA-GWCFXTLKSA-N 0 3 276.361 2.815 20 30 CFEDHN N#CCOc1ccc(CN2CCCSCC2)cc1 ZINC000270565763 385148199 /nfs/dbraw/zinc/14/81/99/385148199.db2.gz LBGFGXQJFYYVGU-UHFFFAOYSA-N 0 3 262.378 2.528 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000280816254 385165584 /nfs/dbraw/zinc/16/55/84/385165584.db2.gz UTCOZKJOSIIPCH-ZBFHGGJFSA-N 0 3 261.365 2.771 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000282150651 385228508 /nfs/dbraw/zinc/22/85/08/385228508.db2.gz CSIHWCNJIMVWHF-YOEHRIQHSA-N 0 3 273.376 2.698 20 30 CFEDHN C#C[C@H](NCc1cnn(Cc2ccccc2)c1)C(C)C ZINC000289080957 197229846 /nfs/dbraw/zinc/22/98/46/197229846.db2.gz AVOVRNVOBZNCDR-KRWDZBQOSA-N 0 3 267.376 2.679 20 30 CFEDHN C=CCOc1ccc(CN2CCC(OC)CC2)cc1OC ZINC000271031226 385310969 /nfs/dbraw/zinc/31/09/69/385310969.db2.gz HEZMNRWUDSWXMW-UHFFFAOYSA-N 0 3 291.391 2.871 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC2(C1)CCOCC2 ZINC000271050484 385321300 /nfs/dbraw/zinc/32/13/00/385321300.db2.gz PMNIQPFEAKOZFF-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN C=C(C)CN(CCC[C@H]1CCO1)Cc1ccc(CO)o1 ZINC000639163809 385267589 /nfs/dbraw/zinc/26/75/89/385267589.db2.gz ZKHHFQZWSCANNH-AWEZNQCLSA-N 0 3 279.380 2.719 20 30 CFEDHN C#C[C@H](NCc1c[nH]nc1-c1ccc(OC)cc1)C(C)C ZINC000289085708 197230986 /nfs/dbraw/zinc/23/09/86/197230986.db2.gz BFAXBXUVKZOVAD-INIZCTEOSA-N 0 3 283.375 2.833 20 30 CFEDHN C#CCCCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000271074929 385328940 /nfs/dbraw/zinc/32/89/40/385328940.db2.gz WTNGDJZNCJUPMA-UHFFFAOYSA-N 0 3 297.301 2.862 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1ccc(C#N)cc1F ZINC000271190429 385369203 /nfs/dbraw/zinc/36/92/03/385369203.db2.gz LVUOZSMJOUMYLL-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN C=CCN(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C1CC1 ZINC000271360945 385380696 /nfs/dbraw/zinc/38/06/96/385380696.db2.gz HHEMDMFZXZOHPM-DLBZAZTESA-N 0 3 299.418 2.792 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000271674865 385387720 /nfs/dbraw/zinc/38/77/20/385387720.db2.gz OELVMOPEURGKJR-LBPRGKRZSA-N 0 3 286.379 2.925 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2cccc(C#N)c2)o1 ZINC000271913507 385398752 /nfs/dbraw/zinc/39/87/52/385398752.db2.gz YJKFFTCVYAVUAV-WFASDCNBSA-N 0 3 270.332 2.844 20 30 CFEDHN C[C@@H](N[C@H]1CCSC1)c1ccc(C#N)c(F)c1 ZINC000271975893 385417144 /nfs/dbraw/zinc/41/71/44/385417144.db2.gz VQEWHJGLQXWALL-SKDRFNHKSA-N 0 3 250.342 2.853 20 30 CFEDHN C#CCCCC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282974976 385418883 /nfs/dbraw/zinc/41/88/83/385418883.db2.gz PEQNCRKNMOXIGI-OAHLLOKOSA-N 0 3 292.810 2.862 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283351332 385458200 /nfs/dbraw/zinc/45/82/00/385458200.db2.gz BNVKAYDASLFETK-UHFFFAOYSA-N 0 3 289.335 2.597 20 30 CFEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC000272286697 385498467 /nfs/dbraw/zinc/49/84/67/385498467.db2.gz DQNPAJWYABFBEN-HOTGVXAUSA-N 0 3 272.392 2.787 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCC[C@H]1O ZINC000272447859 385539068 /nfs/dbraw/zinc/53/90/68/385539068.db2.gz BYYIOTZVFBDIIT-DOTOQJQBSA-N 0 3 275.367 2.660 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(C#N)s1 ZINC000272367558 385520327 /nfs/dbraw/zinc/52/03/27/385520327.db2.gz ATUMYTLCIIIHPH-DZGCQCFKSA-N 0 3 292.404 2.831 20 30 CFEDHN CC(C)(O)C(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC000272606160 385574897 /nfs/dbraw/zinc/57/48/97/385574897.db2.gz PWPFVOMPTHYKJZ-UHFFFAOYSA-N 0 3 265.784 2.831 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000272512719 385555994 /nfs/dbraw/zinc/55/59/94/385555994.db2.gz GMBQTSVANYIONT-ZDUSSCGKSA-N 0 3 279.380 2.865 20 30 CFEDHN C=CCOCCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000272529161 385558846 /nfs/dbraw/zinc/55/88/46/385558846.db2.gz IZEYJOYITPOXFL-CQSZACIVSA-N 0 3 288.391 2.667 20 30 CFEDHN C=CCCCCCN(C)[C@H]1CCN(C2CCC2)C1=O ZINC000639496649 385560811 /nfs/dbraw/zinc/56/08/11/385560811.db2.gz VQEXCGIGOZDOCR-HNNXBMFYSA-N 0 3 264.413 2.818 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)[C@H](CO)SC)c1ccco1 ZINC000286378105 385603451 /nfs/dbraw/zinc/60/34/51/385603451.db2.gz ZWXFSEBOKTVVIA-OBJOEFQTSA-N 0 3 269.410 2.989 20 30 CFEDHN C=CCC[C@@H](NCCSCCCO)c1ccco1 ZINC000286269514 385580696 /nfs/dbraw/zinc/58/06/96/385580696.db2.gz VHEIOJAZTPWCDD-CYBMUJFWSA-N 0 3 269.410 2.992 20 30 CFEDHN CC[C@H]1CCC[C@@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000286301312 385585361 /nfs/dbraw/zinc/58/53/61/385585361.db2.gz VROGPLVPEJHMCH-ZFWWWQNUSA-N 0 3 271.364 2.665 20 30 CFEDHN C[C@@H](Nc1nc(Cl)c(C#N)s1)C1=CCN(C)CC1 ZINC000286781497 385709487 /nfs/dbraw/zinc/70/94/87/385709487.db2.gz IZOGVQRMIQDVEF-MRVPVSSYSA-N 0 3 282.800 2.730 20 30 CFEDHN C=CCOCCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793969 385712727 /nfs/dbraw/zinc/71/27/27/385712727.db2.gz XQQASJKWPMMMOK-OAHLLOKOSA-N 0 3 283.375 2.622 20 30 CFEDHN C=CCN(CC(=O)N(CC)CC(F)(F)F)C(C)(C)C ZINC000639828281 385727565 /nfs/dbraw/zinc/72/75/65/385727565.db2.gz MVAXFPRFEKARRX-UHFFFAOYSA-N 0 3 280.334 2.684 20 30 CFEDHN C#CCN(C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CC1 ZINC000274211313 385739428 /nfs/dbraw/zinc/73/94/28/385739428.db2.gz TVKWTQIHYQBNJP-IEBWSBKVSA-N 0 3 299.414 2.539 20 30 CFEDHN C#CCN(C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000274211317 385739450 /nfs/dbraw/zinc/73/94/50/385739450.db2.gz TVKWTQIHYQBNJP-MJGOQNOKSA-N 0 3 299.414 2.539 20 30 CFEDHN CCOc1ccc(C#N)cc1NC1CCN(CC)CC1 ZINC000274117003 385723187 /nfs/dbraw/zinc/72/31/87/385723187.db2.gz MHINLFLDWDQWBH-UHFFFAOYSA-N 0 3 273.380 2.853 20 30 CFEDHN C[C@H]1C[C@H](N(C)c2nc(Cl)c(C#N)s2)CCN1C ZINC000287268847 385817003 /nfs/dbraw/zinc/81/70/03/385817003.db2.gz LFKVDONCONTDKX-DTWKUNHWSA-N 0 3 284.816 2.587 20 30 CFEDHN C=CCCCCCCN[C@@H](Cc1ccccc1)C(N)=O ZINC000287271835 385817038 /nfs/dbraw/zinc/81/70/38/385817038.db2.gz QTIFZTCXBUFEGY-INIZCTEOSA-N 0 3 274.408 2.809 20 30 CFEDHN C=CCCCC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000274624690 385836664 /nfs/dbraw/zinc/83/66/64/385836664.db2.gz XPPSPFKRRVWRKW-UHFFFAOYSA-N 0 3 280.324 2.755 20 30 CFEDHN C=C(C)[C@@H](NCC1(O)CCOCC1)c1ccc(F)c(F)c1 ZINC000274923505 385898003 /nfs/dbraw/zinc/89/80/03/385898003.db2.gz ZQWAWZCNXSSEFI-OAHLLOKOSA-N 0 3 297.345 2.713 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000274799481 385873727 /nfs/dbraw/zinc/87/37/27/385873727.db2.gz UUAQNXRIPXALFB-UHFFFAOYSA-N 0 3 278.421 2.862 20 30 CFEDHN Cn1cc(CNC[C@@H]2CCC3(CCCCC3)O2)cc1C#N ZINC000276639853 386000302 /nfs/dbraw/zinc/00/03/02/386000302.db2.gz QIUGDEBLHBXEAN-INIZCTEOSA-N 0 3 287.407 2.868 20 30 CFEDHN Cn1cc(CNCCSC(C)(C)C)cc1C#N ZINC000276732397 386028562 /nfs/dbraw/zinc/02/85/62/386028562.db2.gz DYCWWSDLCAGRSY-UHFFFAOYSA-N 0 3 251.399 2.518 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2c2c(F)cc(C#N)cc2F)C1 ZINC000277043048 386115544 /nfs/dbraw/zinc/11/55/44/386115544.db2.gz PLRFWAQWZUHJBE-SWLSCSKDSA-N 0 3 291.345 2.757 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)CC#Cc2ccccc2)C1 ZINC000277049155 386116912 /nfs/dbraw/zinc/11/69/12/386116912.db2.gz USJMHDBQSXPQRD-DOTOQJQBSA-N 0 3 257.377 2.521 20 30 CFEDHN Cn1cc(CN[C@@H]2CCc3c2cccc3F)cc1C#N ZINC000276946425 386088553 /nfs/dbraw/zinc/08/85/53/386088553.db2.gz IBSRAPONPJHDHU-MRXNPFEDSA-N 0 3 269.323 2.813 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288409549 197070412 /nfs/dbraw/zinc/07/04/12/197070412.db2.gz WVKLXCXKXGQIKM-FUHWJXTLSA-N 0 3 298.430 2.959 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288345253 197055576 /nfs/dbraw/zinc/05/55/76/197055576.db2.gz SXFGPILVQINGAM-WMZOPIPTSA-N 0 3 298.430 2.959 20 30 CFEDHN CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC)N(CC)CC ZINC000281221596 195154908 /nfs/dbraw/zinc/15/49/08/195154908.db2.gz RJNVIKHRZPBJOT-HNNXBMFYSA-N 0 3 288.395 2.659 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@@H](C)c2ccccc2)C1=O ZINC000281388285 195221182 /nfs/dbraw/zinc/22/11/82/195221182.db2.gz WQCUTTJMZAHSGM-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN C=C1CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287245965 196814450 /nfs/dbraw/zinc/81/44/50/196814450.db2.gz KCBULYLIHXYRBX-HNNXBMFYSA-N 0 3 265.784 2.895 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(Cl)ccc1OC ZINC000186687035 260004882 /nfs/dbraw/zinc/00/48/82/260004882.db2.gz GDHWFQCTZSVYHM-PWSUYJOCSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186692470 260004889 /nfs/dbraw/zinc/00/48/89/260004889.db2.gz AJBXVNYPVCICMJ-YPMHNXCESA-N 0 3 294.351 2.581 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1sc(CC)nc1C ZINC000186720011 260008830 /nfs/dbraw/zinc/00/88/30/260008830.db2.gz AEXLGTPFBSTHFU-GXSJLCMTSA-N 0 3 254.399 2.602 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000116974455 260019536 /nfs/dbraw/zinc/01/95/36/260019536.db2.gz AYUFKKDGKRCJID-HIFRSBDPSA-N 0 3 275.396 2.553 20 30 CFEDHN C=C(C)CN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353140167 262276383 /nfs/dbraw/zinc/27/63/83/262276383.db2.gz AHDTZKRZIMQQOW-OAHLLOKOSA-N 0 3 265.328 2.770 20 30 CFEDHN C=CC[C@H](C(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000187492663 260038797 /nfs/dbraw/zinc/03/87/97/260038797.db2.gz KUWGJQXHOOBOIC-INIZCTEOSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000367873176 260042015 /nfs/dbraw/zinc/04/20/15/260042015.db2.gz DVEOFDSWCMROJL-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN COc1ccc(CN2CC[C@@H](OC)C[C@H]2C)cc1C#N ZINC000281600612 195304222 /nfs/dbraw/zinc/30/42/22/195304222.db2.gz FTUOSZPNTJJHIR-IUODEOHRSA-N 0 3 274.364 2.566 20 30 CFEDHN CC(C(=O)Nc1ccccc1CC#N)C(F)(F)F ZINC000344385010 533339633 /nfs/dbraw/zinc/33/96/33/533339633.db2.gz IVWOTNQORUHPSA-QMMMGPOBSA-N 0 3 256.227 2.890 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)C1CCOCC1 ZINC000151164872 533444276 /nfs/dbraw/zinc/44/42/76/533444276.db2.gz NSBXBSQJTLRSNE-LLVKDONJSA-N 0 3 262.328 2.602 20 30 CFEDHN N#Cc1cc(N2CCN(CC3CCCCC3)CC2)ccn1 ZINC000341927244 130158114 /nfs/dbraw/zinc/15/81/14/130158114.db2.gz JCYRQNKOXSZIER-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN N#Cc1ccc(CN2CCCCC[C@@H]2CCO)cc1F ZINC000342041787 130254130 /nfs/dbraw/zinc/25/41/30/130254130.db2.gz XTRHCNODOOFPPE-OAHLLOKOSA-N 0 3 276.355 2.824 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3sccc3[nH]2)CC1 ZINC000192070545 130364908 /nfs/dbraw/zinc/36/49/08/130364908.db2.gz NZFQGCVMBXXJTI-UHFFFAOYSA-N 0 3 289.404 2.610 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246295932 131092196 /nfs/dbraw/zinc/09/21/96/131092196.db2.gz DUSIEPURKUREDX-GDBMZVCRSA-N 0 3 295.390 2.623 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)[C@@H]1C ZINC000248358846 131114403 /nfs/dbraw/zinc/11/44/03/131114403.db2.gz RGUJQZWUPYCTKN-AGIUHOORSA-N 0 3 271.364 2.616 20 30 CFEDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000263716737 131315214 /nfs/dbraw/zinc/31/52/14/131315214.db2.gz LEOMVLWPCQMQCW-KRWDZBQOSA-N 0 3 299.418 2.687 20 30 CFEDHN C=CC[C@@H]1N(CCCCS(C)(=O)=O)CCCC1(C)C ZINC000683528284 542692068 /nfs/dbraw/zinc/69/20/68/542692068.db2.gz PFOQLLTVIURLPM-AWEZNQCLSA-N 0 3 287.469 2.878 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1nccs1)C(C)C ZINC000683537149 542694334 /nfs/dbraw/zinc/69/43/34/542694334.db2.gz SUHITNBHXUKEBW-ZDUSSCGKSA-N 0 3 293.436 2.572 20 30 CFEDHN C=CCCC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000263978050 131372097 /nfs/dbraw/zinc/37/20/97/131372097.db2.gz JRDWXOKTQIWORA-INIZCTEOSA-N 0 3 274.408 2.934 20 30 CFEDHN CC[C@H](C(=O)Nc1cc(C#N)ccc1C)N(CC)CC ZINC000265516582 131599570 /nfs/dbraw/zinc/59/95/70/131599570.db2.gz LOMLZRIEDQQHJL-OAHLLOKOSA-N 0 3 273.380 2.926 20 30 CFEDHN Cc1nc([C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n[nH]1 ZINC000268429230 132008123 /nfs/dbraw/zinc/00/81/23/132008123.db2.gz FDUWTZLTBXAKMJ-CYBMUJFWSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000268429230 132008124 /nfs/dbraw/zinc/00/81/24/132008124.db2.gz FDUWTZLTBXAKMJ-CYBMUJFWSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC000268429230 132008125 /nfs/dbraw/zinc/00/81/25/132008125.db2.gz FDUWTZLTBXAKMJ-CYBMUJFWSA-N 0 3 299.353 2.504 20 30 CFEDHN COc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000268577401 132029722 /nfs/dbraw/zinc/02/97/22/132029722.db2.gz CBHRIYWGXUANLJ-SFHVURJKSA-N 0 3 296.370 2.732 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCCn2ccnc2C)cc1 ZINC000268790513 132066509 /nfs/dbraw/zinc/06/65/09/132066509.db2.gz GIGCFQJCSGKYKH-AWEZNQCLSA-N 0 3 283.375 2.554 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCCOCC2CC2)cc1 ZINC000268956333 132093160 /nfs/dbraw/zinc/09/31/60/132093160.db2.gz WHNIGYSZBRVRCQ-AWEZNQCLSA-N 0 3 273.376 2.776 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)CN1CCCC1 ZINC000683840121 542733537 /nfs/dbraw/zinc/73/35/37/542733537.db2.gz QQNWEEWSKOJECS-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN N#Cc1ccc(CNCCCNc2ccccn2)c(F)c1 ZINC000269451488 132172806 /nfs/dbraw/zinc/17/28/06/132172806.db2.gz VWRIMKQVVAYTHF-UHFFFAOYSA-N 0 3 284.338 2.684 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180492767 393482566 /nfs/dbraw/zinc/48/25/66/393482566.db2.gz WZAQHMWAMGKMBE-WMZOPIPTSA-N 0 3 284.403 2.742 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000372854640 393457600 /nfs/dbraw/zinc/45/76/00/393457600.db2.gz DCPUDTXAYWOKAD-QZTJIDSGSA-N 0 3 298.430 2.969 20 30 CFEDHN C#CCOc1ccc(CN2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000374252914 393489136 /nfs/dbraw/zinc/48/91/36/393489136.db2.gz BDMKWRUTHWQVJW-ROUUACIJSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](C)[C@H](C)c1ccccc1 ZINC000181542510 393497826 /nfs/dbraw/zinc/49/78/26/393497826.db2.gz MIJFJCZLKWHXPS-JKSUJKDBSA-N 0 3 286.419 2.969 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183497917 393521162 /nfs/dbraw/zinc/52/11/62/393521162.db2.gz VJMCEVXMFYYBBH-NWDGAFQWSA-N 0 3 297.370 2.821 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000184283437 393525996 /nfs/dbraw/zinc/52/59/96/393525996.db2.gz NCRIBGKINOELKM-LBPRGKRZSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CCC[C@@H](CO)NCc1csc(Br)c1 ZINC000320295660 393528222 /nfs/dbraw/zinc/52/82/22/393528222.db2.gz RDAIJVAWVRWMGD-JTQLQIEISA-N 0 3 290.226 2.927 20 30 CFEDHN N#Cc1cccc(NC(=O)CCN2CCOCC3(CC3)C2)c1 ZINC000329492617 393538981 /nfs/dbraw/zinc/53/89/81/393538981.db2.gz ZSSSTQXCDWLGEF-UHFFFAOYSA-N 0 3 299.374 2.649 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccncc1)C(C)C ZINC000046049382 393575092 /nfs/dbraw/zinc/57/50/92/393575092.db2.gz PYKLWAFVSMVNLK-MRXNPFEDSA-N 0 3 287.407 2.510 20 30 CFEDHN N#Cc1ccc(CN(C[C@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000188917041 393568782 /nfs/dbraw/zinc/56/87/82/393568782.db2.gz NQSHXHOZZYCFKN-CQSZACIVSA-N 0 3 298.308 2.836 20 30 CFEDHN Cc1ccccc1C[C@H](CO)NCc1ccc(C#N)s1 ZINC000188917738 393568890 /nfs/dbraw/zinc/56/88/90/393568890.db2.gz OCXNSTXAZAWHAS-CQSZACIVSA-N 0 3 286.400 2.621 20 30 CFEDHN Cc1cc(Br)ccc1CNC(=O)C(C)C#N ZINC000334228775 393583155 /nfs/dbraw/zinc/58/31/55/393583155.db2.gz OXPLWHZMCPIGEI-SECBINFHSA-N 0 3 281.153 2.533 20 30 CFEDHN Cc1cccc(C2=CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334298140 393591596 /nfs/dbraw/zinc/59/15/96/393591596.db2.gz BBKLDLANJAOAHF-CYBMUJFWSA-N 0 3 254.333 2.770 20 30 CFEDHN CC(C)C1(c2ccccc2)CN(C(=O)C(C)C#N)C1 ZINC000334806147 393622820 /nfs/dbraw/zinc/62/28/20/393622820.db2.gz FYUMACMLKWBANY-ZDUSSCGKSA-N 0 3 256.349 2.582 20 30 CFEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C(C)C(F)(F)F ZINC000411064029 393657015 /nfs/dbraw/zinc/65/70/15/393657015.db2.gz MATFGOZLOUZRLK-SSDOTTSWSA-N 0 3 284.237 2.898 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000336495367 393738004 /nfs/dbraw/zinc/73/80/04/393738004.db2.gz UYWHSLJFBOMUJN-NVXWUHKLSA-N 0 3 273.351 2.678 20 30 CFEDHN COc1cccc2c1CCN([C@@H](C)CCC#N)CC2 ZINC000411689324 393739342 /nfs/dbraw/zinc/73/93/42/393739342.db2.gz NTTYRYVTRLJSRC-ZDUSSCGKSA-N 0 3 258.365 2.788 20 30 CFEDHN COC(=O)[C@@H]1CSCCN(CCCCC(C)(C)C#N)C1 ZINC000412077299 393762193 /nfs/dbraw/zinc/76/21/93/393762193.db2.gz NRJNHBZUKAAICO-ZDUSSCGKSA-N 0 3 298.452 2.544 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)CC(C)(C)CO ZINC000411771013 393746967 /nfs/dbraw/zinc/74/69/67/393746967.db2.gz FAEFMXBOTCQENZ-UHFFFAOYSA-N 0 3 252.402 2.801 20 30 CFEDHN CCNC(=O)[C@@H](NCCC1(C#N)CCCCC1)C(C)C ZINC000411789948 393748831 /nfs/dbraw/zinc/74/88/31/393748831.db2.gz OPWUHARAPIICPW-AWEZNQCLSA-N 0 3 279.428 2.601 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2ccc(C)cc2c1 ZINC000411800149 393750065 /nfs/dbraw/zinc/75/00/65/393750065.db2.gz ZFUJGESXRNUJLE-SJORKVTESA-N 0 3 268.360 2.976 20 30 CFEDHN N#CCCCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990756 393760030 /nfs/dbraw/zinc/76/00/30/393760030.db2.gz SUDSCLGCWKNNEZ-KRWDZBQOSA-N 0 3 284.359 2.790 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccn(C(C)C)c2C)CC1 ZINC000340000348 393834554 /nfs/dbraw/zinc/83/45/54/393834554.db2.gz VGWZCSLKNYLBMC-UHFFFAOYSA-N 0 3 289.423 2.758 20 30 CFEDHN C=CCOc1ccccc1CNCC1(O)CCCC1 ZINC000096479132 393835252 /nfs/dbraw/zinc/83/52/52/393835252.db2.gz FTQIPJWBCLBELS-UHFFFAOYSA-N 0 3 261.365 2.646 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)CN(CC)CC ZINC000412839327 393774113 /nfs/dbraw/zinc/77/41/13/393774113.db2.gz LOPDVMZPMHREGN-MRXNPFEDSA-N 0 3 274.408 2.632 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412904542 393776041 /nfs/dbraw/zinc/77/60/41/393776041.db2.gz XAJNCMWMZYIOMJ-CHWSQXEVSA-N 0 3 294.395 2.507 20 30 CFEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413078436 393779732 /nfs/dbraw/zinc/77/97/32/393779732.db2.gz TZSPXSVFELTJCG-UPJWGTAASA-N 0 3 290.386 2.871 20 30 CFEDHN C=C(CC)CN1CCC[C@](CO)(c2ccccc2)C1 ZINC000338335169 393781575 /nfs/dbraw/zinc/78/15/75/393781575.db2.gz VZRQCDVFFAYHQZ-KRWDZBQOSA-N 0 3 259.393 2.979 20 30 CFEDHN CC[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)N(C)C ZINC000413817851 393789295 /nfs/dbraw/zinc/78/92/95/393789295.db2.gz MWRUBUBBYYOFPX-CVEARBPZSA-N 0 3 287.407 2.878 20 30 CFEDHN C[C@@H](c1ccco1)N(CCC(=O)N(C)CCC#N)C1CC1 ZINC000092805650 393791506 /nfs/dbraw/zinc/79/15/06/393791506.db2.gz OOKWBKINJFWXEM-ZDUSSCGKSA-N 0 3 289.379 2.567 20 30 CFEDHN N#CCCOCCN1CCC(c2ccccc2)CC1 ZINC000338890212 393804278 /nfs/dbraw/zinc/80/42/78/393804278.db2.gz NLZQSSDIGRDKJP-UHFFFAOYSA-N 0 3 258.365 2.796 20 30 CFEDHN CCCCCC(=O)NC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338942317 393805498 /nfs/dbraw/zinc/80/54/98/393805498.db2.gz KZPVZNHGSFJQTG-GOEBONIOSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCOCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000338925953 393806075 /nfs/dbraw/zinc/80/60/75/393806075.db2.gz NIYGFKIVBWJNME-KRWDZBQOSA-N 0 3 275.392 2.870 20 30 CFEDHN CCCCOC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339009579 393810348 /nfs/dbraw/zinc/81/03/48/393810348.db2.gz LUGNNVWRSVCJGH-KBPBESRZSA-N 0 3 250.386 2.960 20 30 CFEDHN C=CCOCCN1CCC(c2ccc(C)nc2)CC1 ZINC000339082979 393816837 /nfs/dbraw/zinc/81/68/37/393816837.db2.gz ZWAUZGPGSHSPFQ-UHFFFAOYSA-N 0 3 260.381 2.772 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@@]3(C2)OCc2ccccc23)C1 ZINC000339093707 393817988 /nfs/dbraw/zinc/81/79/88/393817988.db2.gz DHAZGXDBHLVKQF-KMFMINBZSA-N 0 3 268.360 2.810 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@@H](C)N1CCCC[C@H]1C)OCC ZINC000339422016 393825391 /nfs/dbraw/zinc/82/53/91/393825391.db2.gz RDVXCFLLJFCVSZ-OAGGEKHMSA-N 0 3 296.455 2.737 20 30 CFEDHN N#Cc1csc(CN2CCCCC[C@H]2CCO)c1 ZINC000342827170 393871066 /nfs/dbraw/zinc/87/10/66/393871066.db2.gz VRSSBPRQBCCOMT-ZDUSSCGKSA-N 0 3 264.394 2.747 20 30 CFEDHN C=CCN(CC=C)CCCOc1ccc2c(c1)OCO2 ZINC000343047005 393878576 /nfs/dbraw/zinc/87/85/76/393878576.db2.gz UVNYUUXSBSNXLM-UHFFFAOYSA-N 0 3 275.348 2.858 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Cc2ccsc2C)CC1 ZINC000345554254 393911925 /nfs/dbraw/zinc/91/19/25/393911925.db2.gz XVPDJTBUDSZLRW-UHFFFAOYSA-N 0 3 292.448 2.756 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000345609708 393912567 /nfs/dbraw/zinc/91/25/67/393912567.db2.gz WKWCSAITYOBBRF-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@@H](C1CC1)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248758618 393914915 /nfs/dbraw/zinc/91/49/15/393914915.db2.gz QAWSRJORXVFBSG-GUYCJALGSA-N 0 3 297.402 2.784 20 30 CFEDHN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(C)C#N ZINC000346253925 393924539 /nfs/dbraw/zinc/92/45/39/393924539.db2.gz OESZDZKXEMUDPW-UKRRQHHQSA-N 0 3 258.365 2.934 20 30 CFEDHN CCC[C@]1(C)CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346286468 393925279 /nfs/dbraw/zinc/92/52/79/393925279.db2.gz VAHMLPMJNDLRES-GDBMZVCRSA-N 0 3 291.439 2.840 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000346337478 393927061 /nfs/dbraw/zinc/92/70/61/393927061.db2.gz MMVCNPZSZMZUHA-UPJWGTAASA-N 0 3 266.385 2.588 20 30 CFEDHN CCC(CC)(CCO)NCc1cccc(F)c1C#N ZINC000428969690 393928581 /nfs/dbraw/zinc/92/85/81/393928581.db2.gz WTQMEGBKQIHSGY-UHFFFAOYSA-N 0 3 264.344 2.728 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@H](C)C1 ZINC000347578468 393942654 /nfs/dbraw/zinc/94/26/54/393942654.db2.gz HRJNKOCXFODFMH-KFWWJZLASA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCOCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000348035143 393947352 /nfs/dbraw/zinc/94/73/52/393947352.db2.gz OZEIPHPKBJVDHM-QGZVFWFLSA-N 0 3 274.408 2.568 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C1(CO)CCC1 ZINC000429252264 393948594 /nfs/dbraw/zinc/94/85/94/393948594.db2.gz KTXCCUJYGOGMQF-UHFFFAOYSA-N 0 3 296.317 2.506 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000121151311 393949384 /nfs/dbraw/zinc/94/93/84/393949384.db2.gz IPFGLENABBOYHH-CYBMUJFWSA-N 0 3 271.364 2.783 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cccc(C#N)c1F ZINC000352675420 394017374 /nfs/dbraw/zinc/01/73/74/394017374.db2.gz DWFVQRBMRKTJGD-IUKJFTNHSA-N 0 3 286.350 2.553 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1 ZINC000349179687 393964757 /nfs/dbraw/zinc/96/47/57/393964757.db2.gz CENROUFQYSDVJM-INIZCTEOSA-N 0 3 297.402 2.974 20 30 CFEDHN C=CCOc1ccccc1CNCC[C@H](O)C(F)(F)F ZINC000349335368 393968053 /nfs/dbraw/zinc/96/80/53/393968053.db2.gz URQZPYCACVSFJS-ZDUSSCGKSA-N 0 3 289.297 2.654 20 30 CFEDHN COC[C@H](Cc1ccccc1)N[C@H]1CC[C@H](C#N)C1 ZINC000349338724 393968221 /nfs/dbraw/zinc/96/82/21/393968221.db2.gz AEMMYAQNZJVACB-JYJNAYRXSA-N 0 3 258.365 2.526 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(C#N)s1 ZINC000487046621 393980757 /nfs/dbraw/zinc/98/07/57/393980757.db2.gz OCDOEBPPKDHPCW-GFCCVEGCSA-N 0 3 291.420 2.614 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000351166964 393981389 /nfs/dbraw/zinc/98/13/89/393981389.db2.gz LMUOEMFHDSLWNL-UHFFFAOYSA-N 0 3 266.429 2.827 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491752607 394058498 /nfs/dbraw/zinc/05/84/98/394058498.db2.gz ULXIXEHBKIJRRO-QXPKXGMISA-N 0 3 297.402 2.562 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000355283494 394062334 /nfs/dbraw/zinc/06/23/34/394062334.db2.gz SWHZTNUTXBWGGE-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C)(C)CC[C@H](CO)NCc1cccc(C#N)c1 ZINC000355727661 394070340 /nfs/dbraw/zinc/07/03/40/394070340.db2.gz KCOLUSMLIBABHK-OAHLLOKOSA-N 0 3 260.381 2.835 20 30 CFEDHN N#Cc1cccc(CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000281838179 394081583 /nfs/dbraw/zinc/08/15/83/394081583.db2.gz YEROXDNVMYETCQ-IBGZPJMESA-N 0 3 292.382 2.872 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2)C(C)C)C1=O ZINC000281983317 394104938 /nfs/dbraw/zinc/10/49/38/394104938.db2.gz MCWBPAGSMVNCIP-JKSUJKDBSA-N 0 3 272.392 2.760 20 30 CFEDHN CC1=CCN(CCN[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000358223384 394097905 /nfs/dbraw/zinc/09/79/05/394097905.db2.gz IPMWDGASTJQJPA-HNNXBMFYSA-N 0 3 269.392 2.861 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000358855298 394114672 /nfs/dbraw/zinc/11/46/72/394114672.db2.gz AUUTVVRWCQORTC-GHMZBOCLSA-N 0 3 251.292 2.730 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)CCCn1ccnc1C ZINC000130829705 394120739 /nfs/dbraw/zinc/12/07/39/394120739.db2.gz IZAPLVPLMUKKDF-UHFFFAOYSA-N 0 3 298.390 2.594 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000359066369 394122845 /nfs/dbraw/zinc/12/28/45/394122845.db2.gz CQZWQHXFDHXCRZ-ZIAGYGMSSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCCCC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000359191690 394127234 /nfs/dbraw/zinc/12/72/34/394127234.db2.gz JAMTWCDDSNHOLL-ZIAGYGMSSA-N 0 3 252.402 2.722 20 30 CFEDHN C=C(CNCc1ccc(C(=O)OC)[nH]1)c1ccccc1 ZINC000359232682 394127708 /nfs/dbraw/zinc/12/77/08/394127708.db2.gz WIZQDCFHEBFXQF-UHFFFAOYSA-N 0 3 270.332 2.604 20 30 CFEDHN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)C(C)C#N)cc2)n1 ZINC000359329879 394129891 /nfs/dbraw/zinc/12/98/91/394129891.db2.gz MNGRNEYDDORJDY-RISCZKNCSA-N 0 3 296.374 2.826 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NCC(C)(C)CCC#N)c1 ZINC000360411573 394151329 /nfs/dbraw/zinc/15/13/29/394151329.db2.gz PDVVDHLIKMHMRV-UHFFFAOYSA-N 0 3 287.407 2.808 20 30 CFEDHN CC(C)(CCC#N)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000360425936 394152069 /nfs/dbraw/zinc/15/20/69/394152069.db2.gz PVBXLXUCTXFOFO-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](CCO)CC2)cc1F ZINC000421015191 394157748 /nfs/dbraw/zinc/15/77/48/394157748.db2.gz LIUYJUWPEUUYAB-CYBMUJFWSA-N 0 3 276.355 2.682 20 30 CFEDHN COCC1=CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000360780748 394159596 /nfs/dbraw/zinc/15/95/96/394159596.db2.gz IGTWETWXTUQSDB-UHFFFAOYSA-N 0 3 256.349 2.531 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000285910708 394165514 /nfs/dbraw/zinc/16/55/14/394165514.db2.gz VXIAASQIOCUSCX-RHSMWYFYSA-N 0 3 287.407 2.563 20 30 CFEDHN C=CCC[C@H](NCCN(C)CCCOC)c1ccco1 ZINC000285982642 394175682 /nfs/dbraw/zinc/17/56/82/394175682.db2.gz HRNNISKCKPKOMS-HNNXBMFYSA-N 0 3 280.412 2.845 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000150898265 394255748 /nfs/dbraw/zinc/25/57/48/394255748.db2.gz YGKRBFWLNCKSTI-ZDUSSCGKSA-N 0 3 297.443 2.677 20 30 CFEDHN CC[C@H](C)N(CC#Cc1cccc(Cl)c1)CCO ZINC000286723805 394199315 /nfs/dbraw/zinc/19/93/15/394199315.db2.gz BFKBCJQLKIXJKJ-ZDUSSCGKSA-N 0 3 265.784 2.784 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C)c3c2CCC3)CC1 ZINC000448920994 394211114 /nfs/dbraw/zinc/21/11/14/394211114.db2.gz KECWOGUQBCIYSK-UHFFFAOYSA-N 0 3 298.430 2.864 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)C(C)C ZINC000421384794 394213964 /nfs/dbraw/zinc/21/39/64/394213964.db2.gz PGUOGWQVXJEODV-GJZGRUSLSA-N 0 3 264.344 2.582 20 30 CFEDHN CC1(C)CCC[C@]1(O)CNCc1ccc(C#N)c(F)c1 ZINC000421389162 394216208 /nfs/dbraw/zinc/21/62/08/394216208.db2.gz WVLUVNCRFIWWKO-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN CCC(O)(CC)CCNCc1ccc(C#N)c(F)c1 ZINC000421397511 394220681 /nfs/dbraw/zinc/22/06/81/394220681.db2.gz RWIWWZTZSMLZPA-UHFFFAOYSA-N 0 3 264.344 2.728 20 30 CFEDHN C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(C#N)cc1 ZINC000290441504 394229169 /nfs/dbraw/zinc/22/91/69/394229169.db2.gz VPIIGTDGFALJCE-IWEFOYFVSA-N 0 3 294.354 2.703 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2ncc(C)s2)C1 ZINC000366180618 394240596 /nfs/dbraw/zinc/24/05/96/394240596.db2.gz WDGRMARKRFPIJY-ZIAGYGMSSA-N 0 3 280.437 2.958 20 30 CFEDHN C=CCC[C@H](NCC(C)(C)C(=O)NC)c1ccco1 ZINC000286061317 394186414 /nfs/dbraw/zinc/18/64/14/394186414.db2.gz KPRRSJQRNMIAGW-LBPRGKRZSA-N 0 3 264.369 2.649 20 30 CFEDHN Cc1nsc(NCCN2CCCC[C@@H]2C)c1C#N ZINC000286068229 394187053 /nfs/dbraw/zinc/18/70/53/394187053.db2.gz IYGWPZUFWXJPDT-JTQLQIEISA-N 0 3 264.398 2.610 20 30 CFEDHN C[C@H](COCC(F)(F)F)NCc1ccc(C#N)c(F)c1 ZINC000421322363 394187775 /nfs/dbraw/zinc/18/77/75/394187775.db2.gz FVFJHMSGHHDWLP-SECBINFHSA-N 0 3 290.260 2.754 20 30 CFEDHN C=CCOCCN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000684961333 542879340 /nfs/dbraw/zinc/87/93/40/542879340.db2.gz HFHVGRBWIAVRQV-CQSZACIVSA-N 0 3 265.328 2.614 20 30 CFEDHN C#CCNC(=O)CCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000293576907 394283469 /nfs/dbraw/zinc/28/34/69/394283469.db2.gz SXGQLOMIHAZSFV-OAHLLOKOSA-N 0 3 290.794 2.616 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154842280 394303366 /nfs/dbraw/zinc/30/33/66/394303366.db2.gz DWRKUOIKEGZAER-HNNXBMFYSA-N 0 3 288.391 2.815 20 30 CFEDHN CC#CCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000156649418 394336832 /nfs/dbraw/zinc/33/68/32/394336832.db2.gz ZXXPETLCGVVWPN-KGLIPLIRSA-N 0 3 280.412 2.635 20 30 CFEDHN CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)C2NCCC#N ZINC000497145994 394365305 /nfs/dbraw/zinc/36/53/05/394365305.db2.gz DHRMKBKQSYHFLO-VTXSZYRJSA-N 0 3 293.411 2.572 20 30 CFEDHN C=C(C)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000161227153 394367206 /nfs/dbraw/zinc/36/72/06/394367206.db2.gz DXAHANBBVIYVSP-ZDUSSCGKSA-N 0 3 293.436 2.760 20 30 CFEDHN CC(C)C[C@]1(C)CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000451293970 394374531 /nfs/dbraw/zinc/37/45/31/394374531.db2.gz XEATUBNKNLHLHE-IRXDYDNUSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@@H](NCC1=CCOCC1)c1ccc(C#N)cc1F ZINC000453301438 394383318 /nfs/dbraw/zinc/38/33/18/394383318.db2.gz YOSPKTVCLVSIAY-LLVKDONJSA-N 0 3 260.312 2.695 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](C)O ZINC000453344846 394388262 /nfs/dbraw/zinc/38/82/62/394388262.db2.gz OCRLVBHUGAJPKU-BHDSKKPTSA-N 0 3 250.317 2.507 20 30 CFEDHN C[C@@H](NC[C@@H](O)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000453359309 394390388 /nfs/dbraw/zinc/39/03/88/394390388.db2.gz ACGJCDQSJNUYRK-MEBBXXQBSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@]1(C)CCCO1 ZINC000453394029 394395668 /nfs/dbraw/zinc/39/56/68/394395668.db2.gz VPHQTSUFFQUFMZ-IAQYHMDHSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H]1CC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)O1 ZINC000453400818 394397156 /nfs/dbraw/zinc/39/71/56/394397156.db2.gz DEJASWXHGASIDE-DJSGYFEHSA-N 0 3 256.349 2.703 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC[C@@H]2CCN2C2CCCC2)n1 ZINC000528206641 394402313 /nfs/dbraw/zinc/40/23/13/394402313.db2.gz CZNBJHXACRXGKX-HNNXBMFYSA-N 0 3 284.407 2.999 20 30 CFEDHN COc1ccc(CCN[C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000527991975 394436052 /nfs/dbraw/zinc/43/60/52/394436052.db2.gz XOYKUZVDMIRFCK-GFCCVEGCSA-N 0 3 299.349 2.994 20 30 CFEDHN CC[C@H](C(=O)N(C)c1cccc(C#N)c1)N(CC)CC ZINC000545181882 394781169 /nfs/dbraw/zinc/78/11/69/394781169.db2.gz VFMUVGJKTMVDQV-OAHLLOKOSA-N 0 3 273.380 2.641 20 30 CFEDHN COc1cc(C#N)ccc1NC(=O)C(C)C(F)(F)F ZINC000547418147 394864553 /nfs/dbraw/zinc/86/45/53/394864553.db2.gz ZZZOHPDPGRJHQT-SSDOTTSWSA-N 0 3 272.226 2.704 20 30 CFEDHN CC1CCC(N2CCN(c3ccncc3C#N)CC2)CC1 ZINC000548481527 394935282 /nfs/dbraw/zinc/93/52/82/394935282.db2.gz GARCTEWRIVNZES-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(C)C(C)(C)C1 ZINC000556089490 394989993 /nfs/dbraw/zinc/98/99/93/394989993.db2.gz YKJUMOWOESKZLP-ZDUSSCGKSA-N 0 3 257.381 2.645 20 30 CFEDHN CC[C@@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556086904 394990111 /nfs/dbraw/zinc/99/01/11/394990111.db2.gz OMNNCVVCXCMWCS-WBVHZDCISA-N 0 3 297.402 2.928 20 30 CFEDHN C=C(C)CN[C@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000179785717 543008189 /nfs/dbraw/zinc/00/81/89/543008189.db2.gz YAMDONUYQLIQFP-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647302298 395280904 /nfs/dbraw/zinc/28/09/04/395280904.db2.gz OIDSYLRWFVREIR-ZQIUZPCESA-N 0 3 289.423 2.851 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(OC2CCCCC2)CC1 ZINC000649272800 395465810 /nfs/dbraw/zinc/46/58/10/395465810.db2.gz YTBYYVIZMMPSNP-MRXNPFEDSA-N 0 3 267.413 2.737 20 30 CFEDHN C=CCOCCNCc1cccc2c1OC(C)(C)C2 ZINC000388365394 543103905 /nfs/dbraw/zinc/10/39/05/543103905.db2.gz HEBPXYUDZNPYJL-UHFFFAOYSA-N 0 3 261.365 2.692 20 30 CFEDHN C[C@H]1CN(CCCCC#N)CCN1Cc1ccccc1 ZINC000396369026 397555292 /nfs/dbraw/zinc/55/52/92/397555292.db2.gz BNUWUEZLIJDYCI-INIZCTEOSA-N 0 3 271.408 2.887 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000426380495 397573569 /nfs/dbraw/zinc/57/35/69/397573569.db2.gz LLQDIZQPXHPUCP-GOEBONIOSA-N 0 3 291.439 2.753 20 30 CFEDHN N#Cc1ccc(CNCc2ccc(C3OCCO3)cc2)cc1 ZINC000074371898 397590691 /nfs/dbraw/zinc/59/06/91/397590691.db2.gz ZYBCWXXYDTXHTM-UHFFFAOYSA-N 0 3 294.354 2.893 20 30 CFEDHN N#Cc1ccc(CN(CCO)CC2CC2)c(C(F)(F)F)c1 ZINC000356054848 155150646 /nfs/dbraw/zinc/15/06/46/155150646.db2.gz BHHOUGNXVGGLDN-UHFFFAOYSA-N 0 3 298.308 2.781 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000653132907 413205872 /nfs/dbraw/zinc/20/58/72/413205872.db2.gz LBTCNOFNAGOEEL-GFCCVEGCSA-N 0 3 258.365 2.508 20 30 CFEDHN N#Cc1cccc(C2(NCc3c[nH]c4nccnc34)CC2)c1 ZINC000356104262 155162491 /nfs/dbraw/zinc/16/24/91/155162491.db2.gz GKWOEMLQLSLRAM-UHFFFAOYSA-N 0 3 289.342 2.560 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000335810620 289236241 /nfs/dbraw/zinc/23/62/41/289236241.db2.gz NKSWPIINUQJKSC-KCJUWKMLSA-N 0 3 264.325 2.638 20 30 CFEDHN COc1cc(CNC2CC(OC(C)C)C2)ccc1C#N ZINC000356366841 155241819 /nfs/dbraw/zinc/24/18/19/155241819.db2.gz NWVRWFXFHWUKHV-UHFFFAOYSA-N 0 3 274.364 2.612 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000660396697 413287483 /nfs/dbraw/zinc/28/74/83/413287483.db2.gz NOMCAVZTWPUWRB-HOTGVXAUSA-N 0 3 293.455 2.716 20 30 CFEDHN Cc1cc(NCCN2CCCC(C)(C)C2)cc(C#N)n1 ZINC000343107557 154115136 /nfs/dbraw/zinc/11/51/36/154115136.db2.gz RJVIVOVWSODGNS-UHFFFAOYSA-N 0 3 272.396 2.796 20 30 CFEDHN C=CCN(CCOC)C[C@@H](OC)C1CCCCC1 ZINC000660402674 413290702 /nfs/dbraw/zinc/29/07/02/413290702.db2.gz KCOFHNMCCOHEMK-OAHLLOKOSA-N 0 3 255.402 2.716 20 30 CFEDHN CCN1CCN(c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000343262032 154158977 /nfs/dbraw/zinc/15/89/77/154158977.db2.gz GGRYTVMSHBCSGW-LLVKDONJSA-N 0 3 263.772 2.742 20 30 CFEDHN CCCN(CCN1CCCC1)c1nccc(C)c1C#N ZINC000343271247 154162897 /nfs/dbraw/zinc/16/28/97/154162897.db2.gz NSPUHRCPQQKZPO-UHFFFAOYSA-N 0 3 272.396 2.574 20 30 CFEDHN CCCN(CCN1CCCC1)c1cc(C#N)cc(C)n1 ZINC000343271661 154163129 /nfs/dbraw/zinc/16/31/29/154163129.db2.gz BEXUOUIXVYLGJJ-UHFFFAOYSA-N 0 3 272.396 2.574 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)s1 ZINC000343387287 154193423 /nfs/dbraw/zinc/19/34/23/154193423.db2.gz MWOBPYVVYXVUSB-HUUCEWRRSA-N 0 3 285.372 2.635 20 30 CFEDHN C[C@@H](NCc1ccc(F)cc1C#N)[C@H]1CCCOC1 ZINC000348143687 154337891 /nfs/dbraw/zinc/33/78/91/154337891.db2.gz QBSWOIRVEVKGLB-YPMHNXCESA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H]1[C@H](C)N(Cc2ccc(Cl)cc2C#N)CCN1C ZINC000360135281 156028923 /nfs/dbraw/zinc/02/89/23/156028923.db2.gz ZNAYIECVAMISRC-NEPJUHHUSA-N 0 3 277.799 2.736 20 30 CFEDHN N#Cc1ccc(N2CCCN(Cc3ccncc3)CC2)cc1 ZINC000362918095 156114417 /nfs/dbraw/zinc/11/44/17/156114417.db2.gz OCMOJWFPWSRYHX-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C2CC2)C1 ZINC000363151128 156153944 /nfs/dbraw/zinc/15/39/44/156153944.db2.gz BOLPBSZGOOLFFJ-CQSZACIVSA-N 0 3 256.349 2.799 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@H](COC)OC ZINC000660446140 413323832 /nfs/dbraw/zinc/32/38/32/413323832.db2.gz PUYXXGZITRMLCO-MRXNPFEDSA-N 0 3 263.381 2.726 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H](C2CC2)C1 ZINC000367046319 156272051 /nfs/dbraw/zinc/27/20/51/156272051.db2.gz VTLUWTALOAKZLV-CQSZACIVSA-N 0 3 256.349 2.799 20 30 CFEDHN N#Cc1cccc(CN[C@H]2C[C@H](CO)c3ccccc32)c1 ZINC000373633744 157015118 /nfs/dbraw/zinc/01/51/18/157015118.db2.gz KLIUZRGJWPRXOB-QAPCUYQASA-N 0 3 278.355 2.869 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)s1 ZINC000375024237 157184693 /nfs/dbraw/zinc/18/46/93/157184693.db2.gz WQNISYGPADUSGY-DUFXMDAXSA-N 0 3 262.378 2.838 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000651273463 413388744 /nfs/dbraw/zinc/38/87/44/413388744.db2.gz NPTXAOJVJUMJKH-DLBZAZTESA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000651273557 413389515 /nfs/dbraw/zinc/38/95/15/413389515.db2.gz QKCXTPSNWNUVHB-HZPDHXFCSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000651322001 413400187 /nfs/dbraw/zinc/40/01/87/413400187.db2.gz OEZXYGWQZUYEGU-AWEZNQCLSA-N 0 3 285.391 2.940 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCCC[C@H]2CC)nn1 ZINC000653620709 413408933 /nfs/dbraw/zinc/40/89/33/413408933.db2.gz VQHJQPLRDVBTHR-HIFRSBDPSA-N 0 3 262.401 2.913 20 30 CFEDHN N#Cc1ccccc1CN[C@H]1CCCC12CCOCC2 ZINC000336325212 161563765 /nfs/dbraw/zinc/56/37/65/161563765.db2.gz BSCGBEVYGROTEK-INIZCTEOSA-N 0 3 270.376 2.997 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000342932431 161741437 /nfs/dbraw/zinc/74/14/37/161741437.db2.gz BJPOCDABZZAYAH-QZTJIDSGSA-N 0 3 293.370 2.963 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NCCN(CC)C1CC1 ZINC000663920388 413440999 /nfs/dbraw/zinc/44/09/99/413440999.db2.gz NREBENDTQMULLL-UHFFFAOYSA-N 0 3 267.417 2.515 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)Cc1ccccc1 ZINC000344841143 162133597 /nfs/dbraw/zinc/13/35/97/162133597.db2.gz CKMGBJUCERLJJP-UGSOOPFHSA-N 0 3 298.361 2.779 20 30 CFEDHN CCN1C[C@H](C)N(c2cccc(F)c2C#N)C[C@H]1C ZINC000345177600 162194577 /nfs/dbraw/zinc/19/45/77/162194577.db2.gz VLALZBHMOKQLGL-NEPJUHHUSA-N 0 3 261.344 2.616 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)NCc1ccc(C#N)cc1 ZINC000345501853 162259026 /nfs/dbraw/zinc/25/90/26/162259026.db2.gz HRSJFMBQRNUIMT-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000346166224 162338706 /nfs/dbraw/zinc/33/87/06/162338706.db2.gz NWZHAPIZGMRCDF-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000346166217 162338931 /nfs/dbraw/zinc/33/89/31/162338931.db2.gz NWZHAPIZGMRCDF-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201576 162351215 /nfs/dbraw/zinc/35/12/15/162351215.db2.gz RBHSWPHXGMHHNT-JQAFLVLXSA-N 0 3 274.339 2.915 20 30 CFEDHN CC1CCC(CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000349728993 163008009 /nfs/dbraw/zinc/00/80/09/163008009.db2.gz HFXYZQFTUOSTQY-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352847526 163252108 /nfs/dbraw/zinc/25/21/08/163252108.db2.gz UQVWOFOAAZTZCF-BXUZGUMPSA-N 0 3 293.436 2.946 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCOc3ccccc32)n1 ZINC000352855642 163252963 /nfs/dbraw/zinc/25/29/63/163252963.db2.gz UIJHKKNOVDXFIO-NSHDSACASA-N 0 3 285.372 2.671 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000657328510 413456744 /nfs/dbraw/zinc/45/67/44/413456744.db2.gz XURJFPLEPNQYPT-ZIAGYGMSSA-N 0 3 262.401 2.770 20 30 CFEDHN CN(CCCO[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000353056079 163298785 /nfs/dbraw/zinc/29/87/85/163298785.db2.gz HSHAETQZNYXALM-KRWDZBQOSA-N 0 3 288.391 2.923 20 30 CFEDHN CCCN1CCC[C@H]1CNCc1ccc(C#N)s1 ZINC000353128528 163311096 /nfs/dbraw/zinc/31/10/96/163311096.db2.gz RLXAXWZNNCFAHY-LBPRGKRZSA-N 0 3 263.410 2.584 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(CO)c(F)c1)CC2 ZINC000353271439 163334801 /nfs/dbraw/zinc/33/48/01/163334801.db2.gz YKROTVJMVBWXMW-GOSISDBHSA-N 0 3 296.345 2.967 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H](O)Cc1ccccc1)CC2 ZINC000353431504 163362442 /nfs/dbraw/zinc/36/24/42/163362442.db2.gz ZKXNTUNYVCBRAS-PKOBYXMFSA-N 0 3 292.382 2.739 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC3CCC2CC3)nn1 ZINC000653700050 413458131 /nfs/dbraw/zinc/45/81/31/413458131.db2.gz MJHYCYFNWNXEKW-SSDMNJCBSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC2CCC(C)(C)CC2)C1=O ZINC000337231131 262441226 /nfs/dbraw/zinc/44/12/26/262441226.db2.gz UCOAVWZZGNWEDY-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@H](O)C(C)C ZINC000284269208 196017167 /nfs/dbraw/zinc/01/71/67/196017167.db2.gz MQHAYAONKRFSLX-INIZCTEOSA-N 0 3 263.381 2.700 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2CC)cc1 ZINC000284320825 196030144 /nfs/dbraw/zinc/03/01/44/196030144.db2.gz WJEBQPCAWVRYOV-IRXDYDNUSA-N 0 3 295.386 2.504 20 30 CFEDHN CCn1cc(CCNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000284826207 196139213 /nfs/dbraw/zinc/13/92/13/196139213.db2.gz AWKJPQTYSAIWGO-UHFFFAOYSA-N 0 3 280.375 2.596 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(C)on1 ZINC000284910024 196154608 /nfs/dbraw/zinc/15/46/08/196154608.db2.gz CPAJXAGBQSERJB-OBJOEFQTSA-N 0 3 250.342 2.615 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCOc3ccccc32)nn1 ZINC000657359528 413494537 /nfs/dbraw/zinc/49/45/37/413494537.db2.gz WBBSGJIZBXXVOH-AWEZNQCLSA-N 0 3 298.390 2.510 20 30 CFEDHN OC[C@H]1CCCCCN1CC#Cc1cccc(Cl)c1 ZINC000653783896 413497941 /nfs/dbraw/zinc/49/79/41/413497941.db2.gz WWVRECCJDLSVIL-MRXNPFEDSA-N 0 3 277.795 2.928 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000660820232 413591550 /nfs/dbraw/zinc/59/15/50/413591550.db2.gz CDKIIOJZZLFVCB-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000660822163 413595602 /nfs/dbraw/zinc/59/56/02/413595602.db2.gz AJNRFHOCJFMIJX-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCn1cc(CNCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000657464170 413635024 /nfs/dbraw/zinc/63/50/24/413635024.db2.gz PIKXQTOXZAYGKN-QDMKHBRRSA-N 0 3 292.427 2.538 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000651782756 413636141 /nfs/dbraw/zinc/63/61/41/413636141.db2.gz DFNHEFYQPCZNOL-NWDGAFQWSA-N 0 3 299.461 2.986 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCCC2(C)C)nn1 ZINC000657477291 413660959 /nfs/dbraw/zinc/66/09/59/413660959.db2.gz YZPJNLYVIQQXOO-ZDUSSCGKSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCCn1cc(CNCC2CCCCCC2)nn1 ZINC000657481893 413667814 /nfs/dbraw/zinc/66/78/14/413667814.db2.gz ZPVMEJDHGUEZBG-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccn3)[n-]2)C1 ZINC000651825779 413671045 /nfs/dbraw/zinc/67/10/45/413671045.db2.gz VUMDXRFBTQNENV-CHWSQXEVSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCC[C@H](CO)NCc1cncc(Br)c1C ZINC000657485857 413672824 /nfs/dbraw/zinc/67/28/24/413672824.db2.gz SSSMCOCDVSUOLU-GFCCVEGCSA-N 0 3 299.212 2.569 20 30 CFEDHN C=C(CC)CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657484910 413674169 /nfs/dbraw/zinc/67/41/69/413674169.db2.gz QPSKRYGBDSUPAJ-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H]2C2CC2)nn1 ZINC000657489907 413677012 /nfs/dbraw/zinc/67/70/12/413677012.db2.gz BHUOSASHLUMRLE-HOCLYGCPSA-N 0 3 274.412 2.770 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000660990252 413697874 /nfs/dbraw/zinc/69/78/74/413697874.db2.gz FOPOWTDXVWWABK-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCC1(NCc2nc3ccccc3n2C)CCOCC1 ZINC000657633074 413807746 /nfs/dbraw/zinc/80/77/46/413807746.db2.gz FRBUWRRDKPKEFV-UHFFFAOYSA-N 0 3 285.391 2.788 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(CC2CC2)nn1 ZINC000661116292 413765513 /nfs/dbraw/zinc/76/55/13/413765513.db2.gz XTCYJDSVECWUBP-GOEBONIOSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CCCNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000657583130 413768675 /nfs/dbraw/zinc/76/86/75/413768675.db2.gz BSPBNAVSSKCNMM-UHFFFAOYSA-N 0 3 257.337 2.547 20 30 CFEDHN C=CCCNCc1cc(OC)ccc1OC(F)F ZINC000657583053 413771207 /nfs/dbraw/zinc/77/12/07/413771207.db2.gz WEUYTOOWVVCZPP-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661121944 413771232 /nfs/dbraw/zinc/77/12/32/413771232.db2.gz HLPLXGFGQIXYPI-HUUCEWRRSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H](C)C2=CCN(C)CC2)CCCC1 ZINC000664629154 413873040 /nfs/dbraw/zinc/87/30/40/413873040.db2.gz JFRQSNGZIRGSJO-AWEZNQCLSA-N 0 3 291.439 2.825 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000657704829 413875009 /nfs/dbraw/zinc/87/50/09/413875009.db2.gz VNZWHPHSONYSQS-CVEARBPZSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOCCCNCc1cnc([C@H]2CCCO2)s1 ZINC000657657795 413823501 /nfs/dbraw/zinc/82/35/01/413823501.db2.gz CWAJTDJZQBCZCH-CYBMUJFWSA-N 0 3 282.409 2.677 20 30 CFEDHN C=CCN(CCc1csc(C)n1)[C@H](C)COC ZINC000661239273 413843321 /nfs/dbraw/zinc/84/33/21/413843321.db2.gz DOEFWJBJJBDPMO-LLVKDONJSA-N 0 3 254.399 2.517 20 30 CFEDHN C=CCN(CCCOc1ccccc1)[C@H](C)COC ZINC000661243469 413845806 /nfs/dbraw/zinc/84/58/06/413845806.db2.gz KTSOYWNBXQWQPG-OAHLLOKOSA-N 0 3 263.381 2.978 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1CCN(CCC)C1 ZINC000661359033 413917605 /nfs/dbraw/zinc/91/76/05/413917605.db2.gz FDKDXAMQYCMPAT-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000661379141 413937389 /nfs/dbraw/zinc/93/73/89/413937389.db2.gz UOXCAHUOJFRXKB-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N2CCC(C)CC2)C1 ZINC000661378363 413938994 /nfs/dbraw/zinc/93/89/94/413938994.db2.gz DTCCWELGMNFIGK-JKSUJKDBSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@H]1CCCN(CCn2c(C)csc2=O)C1 ZINC000661377243 413939541 /nfs/dbraw/zinc/93/95/41/413939541.db2.gz LNJFRCLXVYKQQI-ZDUSSCGKSA-N 0 3 266.410 2.506 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000661380224 413943185 /nfs/dbraw/zinc/94/31/85/413943185.db2.gz LFXLSKOKOOWSKQ-KGLIPLIRSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654554298 413905899 /nfs/dbraw/zinc/90/58/99/413905899.db2.gz DZDYXCNNASJXMT-KKUMJFAQSA-N 0 3 279.428 2.657 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(F)c(Br)c1 ZINC000037184903 173016804 /nfs/dbraw/zinc/01/68/04/173016804.db2.gz NERQZWKXPKUMPQ-QMMMGPOBSA-N 0 3 256.118 2.872 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CCCN(C)C2)CCCCC1 ZINC000655132295 414110027 /nfs/dbraw/zinc/11/00/27/414110027.db2.gz GNYMNTLNZNCBGH-CQSZACIVSA-N 0 3 279.428 2.659 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)CCN1CCCCC1 ZINC000652992815 414167261 /nfs/dbraw/zinc/16/72/61/414167261.db2.gz DVTVVTWPQSTUBZ-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCN(CC(=O)NCc1cccc(OC)c1)C(C)(C)C ZINC000661754858 414194090 /nfs/dbraw/zinc/19/40/90/414194090.db2.gz DQUYIZNSLASAGP-UHFFFAOYSA-N 0 3 290.407 2.598 20 30 CFEDHN C=CCN(CC(=O)NCc1ccc(C)cc1)C(C)(C)C ZINC000661755797 414194290 /nfs/dbraw/zinc/19/42/90/414194290.db2.gz YYUPPZYBIWUBAJ-UHFFFAOYSA-N 0 3 274.408 2.898 20 30 CFEDHN C=CCN(Cc1cc(-c2cnn(C)c2)no1)C(C)(C)C ZINC000661759895 414199780 /nfs/dbraw/zinc/19/97/80/414199780.db2.gz LNBCGNNOEQXEGV-UHFFFAOYSA-N 0 3 274.368 2.862 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000658105383 414207033 /nfs/dbraw/zinc/20/70/33/414207033.db2.gz HFROAIRXXGNNTD-KBMXLJTQSA-N 0 3 284.403 2.909 20 30 CFEDHN C=CCOCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000658205570 414280896 /nfs/dbraw/zinc/28/08/96/414280896.db2.gz IYUKZPCSWKTJMJ-CQSZACIVSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661896774 414296581 /nfs/dbraw/zinc/29/65/81/414296581.db2.gz FVTKADLSTBEKHZ-OAHLLOKOSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1nccc(OC)c1F ZINC000658225390 414300410 /nfs/dbraw/zinc/30/04/10/414300410.db2.gz BAXBDAIKVUQFGW-QWRGUYRKSA-N 0 3 252.333 2.920 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000665384283 414312294 /nfs/dbraw/zinc/31/22/94/414312294.db2.gz ATDKLVPWGNPASF-BZUAXINKSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CN(CC)C(=O)CNC1(CC(C)C)CC1 ZINC000662071405 414394295 /nfs/dbraw/zinc/39/42/95/414394295.db2.gz YZKYXQVDSDDNLN-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCCN(CC)CC1 ZINC000665390632 414320997 /nfs/dbraw/zinc/32/09/97/414320997.db2.gz LIUBDZSXZJXCHL-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C[C@@H](C)NCc1cn(-c2ccccc2F)nc1C ZINC000655749688 414409784 /nfs/dbraw/zinc/40/97/84/414409784.db2.gz XBIGSLCUZLSTRI-LLVKDONJSA-N 0 3 259.328 2.984 20 30 CFEDHN C=C[C@H](CO)NCCOc1ccc(Cl)cc1Cl ZINC000662163845 414438369 /nfs/dbraw/zinc/43/83/69/414438369.db2.gz NVWWSPZCTQTHBN-SNVBAGLBSA-N 0 3 276.163 2.509 20 30 CFEDHN C=C[C@H](CO)NCCOc1cc(Cl)ccc1Cl ZINC000662167499 414440128 /nfs/dbraw/zinc/44/01/28/414440128.db2.gz GQHWDRZFUXKLKJ-SNVBAGLBSA-N 0 3 276.163 2.509 20 30 CFEDHN N#CC(C(=O)c1cccc(N2CCCC2)c1)c1ccncn1 ZINC000659115480 414441430 /nfs/dbraw/zinc/44/14/30/414441430.db2.gz ZCUNUCRRTOYQSH-OAHLLOKOSA-N 0 3 292.342 2.567 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000662077371 414397802 /nfs/dbraw/zinc/39/78/02/414397802.db2.gz CFZHCRBHWXZXKJ-GEEKYZPCSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000662084839 414400271 /nfs/dbraw/zinc/40/02/71/414400271.db2.gz WVZCQEBXJCUHBI-RRQGHBQHSA-N 0 3 288.435 2.959 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659249380 414478953 /nfs/dbraw/zinc/47/89/53/414478953.db2.gz GVNCDNODSHBBEX-UHFFFAOYSA-N 0 3 298.430 2.905 20 30 CFEDHN COCC#CCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000656596214 414611958 /nfs/dbraw/zinc/61/19/58/414611958.db2.gz MYQDHBFMLIIYLT-QGZVFWFLSA-N 0 3 287.403 2.520 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662631404 414581522 /nfs/dbraw/zinc/58/15/22/414581522.db2.gz SOCRQAPKGVCWJP-YOEHRIQHSA-N 0 3 284.403 2.688 20 30 CFEDHN C=CCCN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000656679457 414635116 /nfs/dbraw/zinc/63/51/16/414635116.db2.gz IWSWEWIVLRPYOP-LBPRGKRZSA-N 0 3 265.357 2.646 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cccnc1)C(C)C ZINC000042393636 174708100 /nfs/dbraw/zinc/70/81/00/174708100.db2.gz YIWMPBZMZJEZFC-INIZCTEOSA-N 0 3 287.407 2.510 20 30 CFEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC(C)(C)C ZINC000045073495 175302506 /nfs/dbraw/zinc/30/25/06/175302506.db2.gz FHLICBGIRWCDTR-LBPRGKRZSA-N 0 3 273.380 2.863 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccccc1 ZINC000076738224 177077494 /nfs/dbraw/zinc/07/74/94/177077494.db2.gz DHICKIBLPRARDU-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000335025726 225397254 /nfs/dbraw/zinc/39/72/54/225397254.db2.gz KGCGRDAMAUKPAH-OCCSQVGLSA-N 0 3 256.349 2.941 20 30 CFEDHN Cc1ccsc1[C@@H](CO)NCCC(C)(C)C#N ZINC000347189958 226056116 /nfs/dbraw/zinc/05/61/16/226056116.db2.gz GNPOGZDGZDXFRP-LLVKDONJSA-N 0 3 252.383 2.619 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CCCC#N ZINC000347600147 226211923 /nfs/dbraw/zinc/21/19/23/226211923.db2.gz LFQWIAISXSIXTF-HZPDHXFCSA-N 0 3 271.408 2.885 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000347757753 226378212 /nfs/dbraw/zinc/37/82/12/226378212.db2.gz RVGPKGBLSNHEDZ-GFCCVEGCSA-N 0 3 265.316 2.524 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000171736617 335076675 /nfs/dbraw/zinc/07/66/75/335076675.db2.gz VVBGMPRPOODZDG-HOCLYGCPSA-N 0 3 293.455 2.857 20 30 CFEDHN COCCCOc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000349827293 226860405 /nfs/dbraw/zinc/86/04/05/226860405.db2.gz IOGZFFJDTJHJOM-GOEBONIOSA-N 0 3 288.391 2.884 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1C ZINC000354475857 227007851 /nfs/dbraw/zinc/00/78/51/227007851.db2.gz YIDUONIPBNWIBP-ZDUSSCGKSA-N 0 3 251.289 2.584 20 30 CFEDHN CCn1c(C(=O)C(C#N)c2ccncn2)cc2ccccc21 ZINC000354472677 227008452 /nfs/dbraw/zinc/00/84/52/227008452.db2.gz PHCRZFPCQGGSAA-ZDUSSCGKSA-N 0 3 290.326 2.941 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)F)cc1)c1ccncn1 ZINC000354482457 227012846 /nfs/dbraw/zinc/01/28/46/227012846.db2.gz ZXUMUFWXHLGDGQ-LLVKDONJSA-N 0 3 273.242 2.904 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000350631042 227045517 /nfs/dbraw/zinc/04/55/17/227045517.db2.gz GFGAIQHZGXFAAA-VNHYZAJKSA-N 0 3 256.349 2.626 20 30 CFEDHN CN(C)C[C@H]1CCCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355549311 227885155 /nfs/dbraw/zinc/88/51/55/227885155.db2.gz VOXHKBQSZBUTPC-IAGOWNOFSA-N 0 3 299.418 2.627 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000330227256 228072625 /nfs/dbraw/zinc/07/26/25/228072625.db2.gz PDDBCEWADZYWDZ-ZBFHGGJFSA-N 0 3 292.354 2.879 20 30 CFEDHN N#CCC[C@H](NC1CCC(O)CC1)c1ccccc1 ZINC000353628623 228134967 /nfs/dbraw/zinc/13/49/67/228134967.db2.gz BFDFJPVSIPZGAJ-GPANFISMSA-N 0 3 258.365 2.925 20 30 CFEDHN CCc1noc(C2CCC(N[C@@H]3CCC[C@@H]3C#N)CC2)n1 ZINC000331918868 228139342 /nfs/dbraw/zinc/13/93/42/228139342.db2.gz LTTYQLJIIQEONF-FKZOYECMSA-N 0 3 288.395 2.940 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000335976214 228172597 /nfs/dbraw/zinc/17/25/97/228172597.db2.gz ZSRYJJCTPUFRDC-LBPRGKRZSA-N 0 3 274.339 2.766 20 30 CFEDHN Cc1cccc(NC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000336012671 228177873 /nfs/dbraw/zinc/17/78/73/228177873.db2.gz XDWXUTRFIXUTOJ-ZDUSSCGKSA-N 0 3 271.364 2.558 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000336045343 228182062 /nfs/dbraw/zinc/18/20/62/228182062.db2.gz AFLRCCVIQOVRLQ-SECBINFHSA-N 0 3 295.180 2.960 20 30 CFEDHN C=CCCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000117875243 260117305 /nfs/dbraw/zinc/11/73/05/260117305.db2.gz MFYYVHCLLARBSH-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN C#CCN1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000374021519 260131576 /nfs/dbraw/zinc/13/15/76/260131576.db2.gz GHYOFBZTJCALGU-OAHLLOKOSA-N 0 3 292.423 2.731 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(Cl)sc1Cl ZINC000312809457 260206277 /nfs/dbraw/zinc/20/62/77/260206277.db2.gz XERJBXHAMBCGAY-RXMQYKEDSA-N 0 3 263.149 2.831 20 30 CFEDHN C#CCOc1ccccc1CNCCN1CCCC[C@H]1C ZINC000067672178 260144595 /nfs/dbraw/zinc/14/45/95/260144595.db2.gz SURQGKMRSWWDRQ-MRXNPFEDSA-N 0 3 286.419 2.663 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000497138793 260179562 /nfs/dbraw/zinc/17/95/62/260179562.db2.gz VSPBALFXSZGIKE-QWHCGFSZSA-N 0 3 293.411 2.716 20 30 CFEDHN C=CCN(CC=C)CCOCC(F)(F)C(F)F ZINC000188725606 260184707 /nfs/dbraw/zinc/18/47/07/260184707.db2.gz OMKLHQIIKAOORK-UHFFFAOYSA-N 0 3 255.255 2.577 20 30 CFEDHN CC[C@@H](COC)NC1CC(C#N)(c2ccccc2)C1 ZINC000086038490 260206706 /nfs/dbraw/zinc/20/67/06/260206706.db2.gz YQWAGETWALDZKD-FHERZECASA-N 0 3 258.365 2.625 20 30 CFEDHN C=CCN(CCOc1cccc(C(=O)OC)c1)C1CC1 ZINC000357529174 260228522 /nfs/dbraw/zinc/22/85/22/260228522.db2.gz LVCPHVWNBVOKCA-UHFFFAOYSA-N 0 3 275.348 2.502 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2COCC2(C)C)cc1 ZINC000313063684 260242596 /nfs/dbraw/zinc/24/25/96/260242596.db2.gz OJYPYACYGXELEF-OAHLLOKOSA-N 0 3 261.365 2.766 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000313494521 260298364 /nfs/dbraw/zinc/29/83/64/260298364.db2.gz TVBPHRSKTKOIDO-LBPRGKRZSA-N 0 3 267.394 2.707 20 30 CFEDHN C=C(CC)CNCc1cc(OC)c(OC)cc1OC ZINC000313485651 260298473 /nfs/dbraw/zinc/29/84/73/260298473.db2.gz SQBNAYCUMWUPCO-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN C=CCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000521052352 260310901 /nfs/dbraw/zinc/31/09/01/260310901.db2.gz SFLILDCPMNLJCY-KRWDZBQOSA-N 0 3 272.392 2.733 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000090451136 260359889 /nfs/dbraw/zinc/35/98/89/260359889.db2.gz UJMWNMZWXKYIGS-CYBMUJFWSA-N 0 3 277.364 2.701 20 30 CFEDHN CC#CCCN1CCC(Nc2ccccc2OC)CC1 ZINC000156758716 260804562 /nfs/dbraw/zinc/80/45/62/260804562.db2.gz FUECNNWNNKEOCV-UHFFFAOYSA-N 0 3 272.392 2.985 20 30 CFEDHN CC[C@H](c1ccccc1OC)N(C)C(=O)C(C)C#N ZINC000360551282 261076643 /nfs/dbraw/zinc/07/66/43/261076643.db2.gz SSDCPDQPZUIIKK-WCQYABFASA-N 0 3 260.337 2.764 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000102338671 261216655 /nfs/dbraw/zinc/21/66/55/261216655.db2.gz TZAKBMIKZADAFC-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000175653221 261238681 /nfs/dbraw/zinc/23/86/81/261238681.db2.gz LFLNDXLLQDPLGG-UHFFFAOYSA-N 0 3 280.437 2.995 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000102694241 261286553 /nfs/dbraw/zinc/28/65/53/261286553.db2.gz NQQVAGMGVAMRTN-CYBMUJFWSA-N 0 3 272.392 2.518 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)CCC)CC1 ZINC000106295288 261325287 /nfs/dbraw/zinc/32/52/87/261325287.db2.gz RYLMTHMSBDBOHI-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000182881375 261954168 /nfs/dbraw/zinc/95/41/68/261954168.db2.gz YRGDUIYHUJHZIS-KBXCAEBGSA-N 0 3 299.418 2.763 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185712519 262067779 /nfs/dbraw/zinc/06/77/79/262067779.db2.gz SFUBPZVUBMYWHR-CWRNSKLLSA-N 0 3 258.365 2.700 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000364163884 262159789 /nfs/dbraw/zinc/15/97/89/262159789.db2.gz ACYKWVJGUPPCTL-UAGQMJEPSA-N 0 3 286.419 2.803 20 30 CFEDHN C=CC[C@H](C)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000116907938 262190261 /nfs/dbraw/zinc/19/02/61/262190261.db2.gz WNIPRYZNWGODQF-SWLSCSKDSA-N 0 3 258.365 2.561 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1cccnc1)C1CCCCC1 ZINC000364521628 262252607 /nfs/dbraw/zinc/25/26/07/262252607.db2.gz PAXFHFLFODSBFR-QGZVFWFLSA-N 0 3 287.407 2.595 20 30 CFEDHN C=CC1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000111257680 262257985 /nfs/dbraw/zinc/25/79/85/262257985.db2.gz XAFHCIQUATWEQD-ZIAGYGMSSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000111259773 262258706 /nfs/dbraw/zinc/25/87/06/262258706.db2.gz ZNYMXNBYSXFHFX-AWEZNQCLSA-N 0 3 272.392 2.936 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000111258184 262258903 /nfs/dbraw/zinc/25/89/03/262258903.db2.gz FMDVOVFCBYTXGD-ZDUSSCGKSA-N 0 3 290.382 2.728 20 30 CFEDHN N#CC(C(=O)c1ccc2ncccc2c1)c1ccncn1 ZINC000354473600 262262485 /nfs/dbraw/zinc/26/24/85/262262485.db2.gz VUMSURFBNUFTMI-CYBMUJFWSA-N 0 3 274.283 2.515 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN([C@H]2CCSC2)CC1 ZINC000365430071 262365178 /nfs/dbraw/zinc/36/51/78/262365178.db2.gz DVSVCIDBNGMETB-HNNXBMFYSA-N 0 3 295.496 2.830 20 30 CFEDHN CC#CCN1CCC2(C[C@@H]2c2nnc(C(C)C)o2)CC1 ZINC000365566113 262370600 /nfs/dbraw/zinc/37/06/00/262370600.db2.gz LCDUULWFIVNTTF-CYBMUJFWSA-N 0 3 273.380 2.786 20 30 CFEDHN CO[C@@H]1CC[C@@H]2OCCN(CCCCC(C)(C)C#N)[C@H]2C1 ZINC000365631304 262376493 /nfs/dbraw/zinc/37/64/93/262376493.db2.gz WLLSMOKMQLQWPY-PMPSAXMXSA-N 0 3 294.439 2.975 20 30 CFEDHN C=CCCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000337271940 262442171 /nfs/dbraw/zinc/44/21/71/262442171.db2.gz NZJJDYWGFQFSJX-UHFFFAOYSA-N 0 3 296.418 2.566 20 30 CFEDHN C=CCOCCN(C)CCCOc1ccc(F)cc1 ZINC000338900357 262568633 /nfs/dbraw/zinc/56/86/33/262568633.db2.gz LWOFKLFFALJDKH-UHFFFAOYSA-N 0 3 267.344 2.729 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC)N(C)C ZINC000413986626 262796503 /nfs/dbraw/zinc/79/65/03/262796503.db2.gz MBUZGIZYMYKORD-JKSUJKDBSA-N 0 3 274.408 2.630 20 30 CFEDHN C[C@@H]1CCN(CCC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000271948765 263000701 /nfs/dbraw/zinc/00/07/01/263000701.db2.gz ANEKKFNZXHKBGL-ZIAGYGMSSA-N 0 3 260.385 2.706 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(-n2ccnc2)cc1 ZINC000271976530 263000901 /nfs/dbraw/zinc/00/09/01/263000901.db2.gz IPLALWBAVPQMCG-CYBMUJFWSA-N 0 3 254.337 2.827 20 30 CFEDHN CN(CCN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272477038 263005022 /nfs/dbraw/zinc/00/50/22/263005022.db2.gz ANMAXGNYGUQSTE-UHFFFAOYSA-N 0 3 257.381 2.748 20 30 CFEDHN Cc1ccc(N2CCN(CCCSCC#N)CC2)cc1 ZINC000273486611 263017459 /nfs/dbraw/zinc/01/74/59/263017459.db2.gz GQKZCBRCPGBBKB-UHFFFAOYSA-N 0 3 289.448 2.764 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000274215593 263022064 /nfs/dbraw/zinc/02/20/64/263022064.db2.gz OMTWMEMLQFHQJJ-SJORKVTESA-N 0 3 299.418 2.695 20 30 CFEDHN COc1ccc(OC)c(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000274250527 263022449 /nfs/dbraw/zinc/02/24/49/263022449.db2.gz YQBIQEOQNDTJEY-TZMCWYRMSA-N 0 3 274.364 2.876 20 30 CFEDHN CC(=O)Nc1cccc([C@H](C)N[C@H]2CC[C@H](C#N)C2)c1 ZINC000274660641 263028912 /nfs/dbraw/zinc/02/89/12/263028912.db2.gz VNPJWHKPFNUNLV-RBOXIYTFSA-N 0 3 271.364 2.988 20 30 CFEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000274660638 263028956 /nfs/dbraw/zinc/02/89/56/263028956.db2.gz VNPJWHKPFNUNLV-NORZTCDRSA-N 0 3 271.364 2.988 20 30 CFEDHN CCn1nccc1C1CCN(CCCSCC#N)CC1 ZINC000278925604 263051814 /nfs/dbraw/zinc/05/18/14/263051814.db2.gz SAQPEQJCUAWZQW-UHFFFAOYSA-N 0 3 292.452 2.729 20 30 CFEDHN C[C@H]1CCCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279520217 263055787 /nfs/dbraw/zinc/05/57/87/263055787.db2.gz SNYGEWSWQDQRGR-BBRMVZONSA-N 0 3 281.359 2.642 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000279578935 263056188 /nfs/dbraw/zinc/05/61/88/263056188.db2.gz MTIQLECCLBJMOE-CHWSQXEVSA-N 0 3 269.352 2.610 20 30 CFEDHN CCCCN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279802897 263057536 /nfs/dbraw/zinc/05/75/36/263057536.db2.gz WOMQKYYSTZQVPX-MRXNPFEDSA-N 0 3 283.375 2.889 20 30 CFEDHN C=CCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280296264 263060314 /nfs/dbraw/zinc/06/03/14/263060314.db2.gz FLPLBWWGYNWUGL-MRXNPFEDSA-N 0 3 281.359 2.665 20 30 CFEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H]1C ZINC000280329848 263060488 /nfs/dbraw/zinc/06/04/88/263060488.db2.gz HDJNPMUCNPQHHG-CPUCHLNUSA-N 0 3 295.386 2.888 20 30 CFEDHN CC1(C#N)CN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000280538184 263062850 /nfs/dbraw/zinc/06/28/50/263062850.db2.gz SMCRCVKCRLMDBL-UHFFFAOYSA-N 0 3 297.402 2.658 20 30 CFEDHN CC(C)(C#N)CCCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000366601729 263069438 /nfs/dbraw/zinc/06/94/38/263069438.db2.gz ZJZSQDIAYVGONB-MRXNPFEDSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCOc1cccc(CNCCc2ncc(C)cn2)c1 ZINC000340103202 263070795 /nfs/dbraw/zinc/07/07/95/263070795.db2.gz FADAECXYRNSSMX-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCOC[C@@H]2OCC)c1 ZINC000353196040 263071410 /nfs/dbraw/zinc/07/14/10/263071410.db2.gz WGQADCNIHIACPP-SJORKVTESA-N 0 3 291.391 2.535 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCOC[C@@H]2OCC)cc1 ZINC000353196457 263072133 /nfs/dbraw/zinc/07/21/33/263072133.db2.gz XAOBXMZZBKDJRJ-SJORKVTESA-N 0 3 291.391 2.535 20 30 CFEDHN COCC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C)o1 ZINC000282406871 263076392 /nfs/dbraw/zinc/07/63/92/263076392.db2.gz RYGRWCATTGREFC-MCIONIFRSA-N 0 3 262.353 2.948 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)[C@H]1CN2CCC1CC2)c1ccccc1 ZINC000340155161 263080048 /nfs/dbraw/zinc/08/00/48/263080048.db2.gz JPCLFBJPWAALRQ-YJBOKZPZSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104704628 263081641 /nfs/dbraw/zinc/08/16/41/263081641.db2.gz CPYOMMPPVNHOOH-MLGOLLRUSA-N 0 3 290.382 2.947 20 30 CFEDHN CN(CC(=O)NCc1cccs1)CC(C)(C)CCC#N ZINC000353473387 263082126 /nfs/dbraw/zinc/08/21/26/263082126.db2.gz RGSAASXMMHEFOJ-UHFFFAOYSA-N 0 3 293.436 2.626 20 30 CFEDHN CN(C)Cc1ccc(C(N)=NOCCCCCF)cc1 ZINC000284070050 263085765 /nfs/dbraw/zinc/08/57/65/263085765.db2.gz KBEWFXHXJFRTPT-UHFFFAOYSA-N 0 3 281.375 2.525 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1ccccc1CCN(C)C ZINC000286906089 263100224 /nfs/dbraw/zinc/10/02/24/263100224.db2.gz YLGIPCLUTYVDAA-INIZCTEOSA-N 0 3 273.380 2.669 20 30 CFEDHN CC1(C)CC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287302832 263101614 /nfs/dbraw/zinc/10/16/14/263101614.db2.gz UIVXGZAXFFRVEL-GJZGRUSLSA-N 0 3 281.359 2.545 20 30 CFEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCC#N ZINC000291094045 263120051 /nfs/dbraw/zinc/12/00/51/263120051.db2.gz IELFBNFROLRTSD-RDJZCZTQSA-N 0 3 297.402 2.823 20 30 CFEDHN CC(C)(CCC#N)C[NH2+][C@H](c1cccs1)c1nnc[n-]1 ZINC000340390095 263130613 /nfs/dbraw/zinc/13/06/13/263130613.db2.gz HXEXOGHJPBSFLY-GFCCVEGCSA-N 0 3 289.408 2.875 20 30 CFEDHN CC(C)(CCC#N)CN[C@H](c1cccs1)c1nnc[nH]1 ZINC000340390095 263130614 /nfs/dbraw/zinc/13/06/14/263130614.db2.gz HXEXOGHJPBSFLY-GFCCVEGCSA-N 0 3 289.408 2.875 20 30 CFEDHN CCc1nc(C)c([C@@H](C)N(C)CCOCCC#N)s1 ZINC000292677602 263133647 /nfs/dbraw/zinc/13/36/47/263133647.db2.gz BPAVWNCMWJOPGB-GFCCVEGCSA-N 0 3 281.425 2.937 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1c1ccsc1 ZINC000293430079 263139997 /nfs/dbraw/zinc/13/99/97/263139997.db2.gz JFLMZLVJSURNGY-ZDUSSCGKSA-N 0 3 250.367 2.815 20 30 CFEDHN CCn1nccc1C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000294280765 263159335 /nfs/dbraw/zinc/15/93/35/263159335.db2.gz VZJAPCOPBZGBBX-ZFWWWQNUSA-N 0 3 272.396 2.775 20 30 CFEDHN CC/C=C/CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000294978414 263170307 /nfs/dbraw/zinc/17/03/07/263170307.db2.gz JPSBOWHXMBMTEZ-ONEGZZNKSA-N 0 3 295.390 2.915 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCCc2c(Br)cccc21 ZINC000353570534 263175547 /nfs/dbraw/zinc/17/55/47/263175547.db2.gz TXTYSIMSZWJJJB-HZMBPMFUSA-N 0 3 296.208 2.963 20 30 CFEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1cccc(C2CC2)c1 ZINC000295419219 263177296 /nfs/dbraw/zinc/17/72/96/263177296.db2.gz NFRZQRFTQFBASX-AWEZNQCLSA-N 0 3 299.418 2.977 20 30 CFEDHN COC(=O)c1coc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296388381 263190988 /nfs/dbraw/zinc/19/09/88/263190988.db2.gz JZOFFUHNAINZOG-GVXVVHGQSA-N 0 3 276.336 2.799 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000297992633 263213620 /nfs/dbraw/zinc/21/36/20/263213620.db2.gz AOBLSPHBNODUSD-SJLPKXTDSA-N 0 3 286.419 2.996 20 30 CFEDHN C[C@H](CCC#N)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000298356635 263218638 /nfs/dbraw/zinc/21/86/38/263218638.db2.gz CDCONNXFNHZLNC-RLCCDNCMSA-N 0 3 293.361 2.992 20 30 CFEDHN Oc1cccc(/C=N/[C@H]2CCN(Cc3ccccc3)C2)c1O ZINC000299268395 263236722 /nfs/dbraw/zinc/23/67/22/263236722.db2.gz KIKMLEGHYHXJHZ-ZVCOJXFSSA-N 0 3 296.370 2.791 20 30 CFEDHN CC(C)(C#N)C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374252035 263260008 /nfs/dbraw/zinc/26/00/08/263260008.db2.gz SKHIWACXNWZKBA-GOSISDBHSA-N 0 3 299.418 2.565 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353626688 263276882 /nfs/dbraw/zinc/27/68/82/263276882.db2.gz YJWMHMDKFPJMEI-ZFWWWQNUSA-N 0 3 277.412 2.805 20 30 CFEDHN CC[C@@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000340684287 263286860 /nfs/dbraw/zinc/28/68/60/263286860.db2.gz XASGNNKHXJGUMF-CQSZACIVSA-N 0 3 277.412 2.546 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000120862410 263286949 /nfs/dbraw/zinc/28/69/49/263286949.db2.gz OMIIROBDVBSXQK-UNEWFSDZSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCCCN(C)CC(=O)N1CCc2sccc2C1 ZINC000121062196 263290133 /nfs/dbraw/zinc/29/01/33/263290133.db2.gz BGBXJXYYZRRONK-UHFFFAOYSA-N 0 3 278.421 2.531 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000121099724 263290194 /nfs/dbraw/zinc/29/01/94/263290194.db2.gz JOBFWMQAQWZTEB-HNNXBMFYSA-N 0 3 274.408 2.932 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1cc(OC)c(OC)cc1C ZINC000121330360 263293297 /nfs/dbraw/zinc/29/32/97/263293297.db2.gz MGJKFPYRKYPBII-HNNXBMFYSA-N 0 3 293.407 2.771 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)C(C)C)C(C)C ZINC000121614126 263297881 /nfs/dbraw/zinc/29/78/81/263297881.db2.gz JBKASWQKZQGFTB-HNNXBMFYSA-N 0 3 281.444 2.735 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000340958632 263313853 /nfs/dbraw/zinc/31/38/53/263313853.db2.gz WUKIGRDMBSWNCI-HNNXBMFYSA-N 0 3 284.407 2.820 20 30 CFEDHN C=CCCC[C@H](C)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000340923122 263315327 /nfs/dbraw/zinc/31/53/27/263315327.db2.gz QWNKGLJFJKQNQP-QWRGUYRKSA-N 0 3 251.292 2.730 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H]1CCc2c1c(F)ccc2F ZINC000341883981 263363218 /nfs/dbraw/zinc/36/32/18/263363218.db2.gz JNFWDFFAMYSQAS-YGRLFVJLSA-N 0 3 267.319 2.726 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(F)ccc1F ZINC000341886632 263363483 /nfs/dbraw/zinc/36/34/83/263363483.db2.gz OAEGVOJYSJYAGV-GHMZBOCLSA-N 0 3 255.308 2.800 20 30 CFEDHN C=CCN(CC1CCCCC1)C[C@H]1CCCS(=O)(=O)C1 ZINC000341896205 263366720 /nfs/dbraw/zinc/36/67/20/263366720.db2.gz YIKKWJCNZOAECZ-MRXNPFEDSA-N 0 3 299.480 2.880 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](CC(C)C)c1ccccn1 ZINC000341894278 263366798 /nfs/dbraw/zinc/36/67/98/263366798.db2.gz ZSPQJXDQMFTYBB-GOEBONIOSA-N 0 3 262.397 2.943 20 30 CFEDHN C=C1CCN(C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000342012289 263377844 /nfs/dbraw/zinc/37/78/44/263377844.db2.gz SQMWWSWCOISZTE-INIZCTEOSA-N 0 3 275.392 2.695 20 30 CFEDHN CC(C)(C)OC(=O)C1CCN(CCCSCC#N)CC1 ZINC000342101435 263387767 /nfs/dbraw/zinc/38/77/67/263387767.db2.gz QXKPLYSZORWVPN-UHFFFAOYSA-N 0 3 298.452 2.687 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000342485455 263441382 /nfs/dbraw/zinc/44/13/82/263441382.db2.gz VHPHXMKFHQIEPU-IHRRRGAJSA-N 0 3 267.417 2.513 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)C1(C#N)CCCC1 ZINC000342786577 263484719 /nfs/dbraw/zinc/48/47/19/263484719.db2.gz TZTBXKSWXZUZSH-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1ccccc1CNC ZINC000415922995 263650644 /nfs/dbraw/zinc/65/06/44/263650644.db2.gz OOJVAUGGCOEVSP-ZDUSSCGKSA-N 0 3 261.369 2.882 20 30 CFEDHN C#Cc1ccc(NC(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000934923728 649855333 /nfs/dbraw/zinc/85/53/33/649855333.db2.gz YDYHBLPIZYQPOL-OAHLLOKOSA-N 0 3 285.391 2.662 20 30 CFEDHN CC(C)Oc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000330893468 264077824 /nfs/dbraw/zinc/07/78/24/264077824.db2.gz DWHRJHAQQHOQTQ-GXTWGEPZSA-N 0 3 291.395 2.656 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000330897930 264078279 /nfs/dbraw/zinc/07/82/79/264078279.db2.gz HZMABFILNMVJGY-NXEZZACHSA-N 0 3 295.314 2.521 20 30 CFEDHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330914872 264092385 /nfs/dbraw/zinc/09/23/85/264092385.db2.gz SXTZBGWZPFWVCD-WCQYABFASA-N 0 3 291.351 2.691 20 30 CFEDHN CCCCn1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(C)n1 ZINC000331026414 264099384 /nfs/dbraw/zinc/09/93/84/264099384.db2.gz PDQYBQLDWZCCMI-TZMCWYRMSA-N 0 3 292.427 2.779 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000331093517 264120145 /nfs/dbraw/zinc/12/01/45/264120145.db2.gz JTYKQIKLUYMCNQ-LSDHHAIUSA-N 0 3 271.364 2.745 20 30 CFEDHN C[C@H](CNC(=O)Nc1ncc(C(C)(C)C)s1)N(C)C ZINC000331195841 264158589 /nfs/dbraw/zinc/15/85/89/264158589.db2.gz YWGZJNCEJQWUSR-SECBINFHSA-N 0 3 284.429 2.717 20 30 CFEDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000331233603 264173585 /nfs/dbraw/zinc/17/35/85/264173585.db2.gz KAOBNWGTOFDTFI-LBPRGKRZSA-N 0 3 262.353 2.571 20 30 CFEDHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000331233603 264173587 /nfs/dbraw/zinc/17/35/87/264173587.db2.gz KAOBNWGTOFDTFI-LBPRGKRZSA-N 0 3 262.353 2.571 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000425375695 264203903 /nfs/dbraw/zinc/20/39/03/264203903.db2.gz DFPBPSWOLRLMMW-NWDGAFQWSA-N 0 3 264.344 2.955 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@H]3CCC[C@@H]32)CCCCC1 ZINC000075768703 264328027 /nfs/dbraw/zinc/32/80/27/264328027.db2.gz ARPRMFSAGVYRQZ-CABCVRRESA-N 0 3 289.423 2.594 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000056308598 264391189 /nfs/dbraw/zinc/39/11/89/264391189.db2.gz KYYYGIJKAMNSLZ-NVXWUHKLSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000347966438 265139163 /nfs/dbraw/zinc/13/91/63/265139163.db2.gz MXLHPJHBVGFPQQ-SECBINFHSA-N 0 3 286.253 2.703 20 30 CFEDHN C=CCC[C@@H](NCCNC(=O)NC(C)C)c1ccccc1 ZINC000519715656 265548401 /nfs/dbraw/zinc/54/84/01/265548401.db2.gz YLWBTKUXDZQGCH-MRXNPFEDSA-N 0 3 289.423 2.991 20 30 CFEDHN CC(C)OCC(C)(C)NCc1ccc(C#N)cc1F ZINC000396480705 265863969 /nfs/dbraw/zinc/86/39/69/265863969.db2.gz LKXBYPSKJNUSRY-UHFFFAOYSA-N 0 3 264.344 2.991 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000356277367 266085566 /nfs/dbraw/zinc/08/55/66/266085566.db2.gz VCQWKUPDWIAKCZ-SOUVJXGZSA-N 0 3 264.413 2.674 20 30 CFEDHN CN(C)CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000356288535 266088214 /nfs/dbraw/zinc/08/82/14/266088214.db2.gz LEMWBAWYPIUGRF-UHFFFAOYSA-N 0 3 299.418 2.654 20 30 CFEDHN C[C@H]1[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000356742733 266167149 /nfs/dbraw/zinc/16/71/49/266167149.db2.gz TVNPCECLCWBQAY-XJKSGUPXSA-N 0 3 299.418 2.700 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000458807867 266221910 /nfs/dbraw/zinc/22/19/10/266221910.db2.gz GWUSZGAFMSKTOB-ZIAGYGMSSA-N 0 3 281.444 2.570 20 30 CFEDHN C[C@H](C1CCC1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000357028338 266234993 /nfs/dbraw/zinc/23/49/93/266234993.db2.gz UOKUIBKJNZRMMD-CQSZACIVSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCc2ccccc2C1 ZINC000114488590 266300583 /nfs/dbraw/zinc/30/05/83/266300583.db2.gz WRXXHEOTUSRBAB-SFHVURJKSA-N 0 3 298.430 2.676 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](O)C2(C)C)c1 ZINC000361052288 266773762 /nfs/dbraw/zinc/77/37/62/266773762.db2.gz NPEFWPWVXGVBGT-HNNXBMFYSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@H](COCC2CC2)C1 ZINC000362584875 267011706 /nfs/dbraw/zinc/01/17/06/267011706.db2.gz ZLQMHMVGNKZJFP-GOEBONIOSA-N 0 3 267.413 2.859 20 30 CFEDHN N#CCCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557522 267099100 /nfs/dbraw/zinc/09/91/00/267099100.db2.gz IZSGHOZLMSWOEV-UHFFFAOYSA-N 0 3 262.328 2.973 20 30 CFEDHN C=C(C)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000368010426 267134017 /nfs/dbraw/zinc/13/40/17/267134017.db2.gz AUFIKJIABOQGHZ-KBPBESRZSA-N 0 3 280.412 2.751 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000399673734 267137337 /nfs/dbraw/zinc/13/73/37/267137337.db2.gz OYSAOQOJBVRCCB-YIYPIFLZSA-N 0 3 285.391 2.862 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000368041058 267141397 /nfs/dbraw/zinc/14/13/97/267141397.db2.gz KIXRPWJJMQVNBR-MRXNPFEDSA-N 0 3 293.370 2.918 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000399701947 267143064 /nfs/dbraw/zinc/14/30/64/267143064.db2.gz YBJIUPYDFQTFOT-XJFOESAGSA-N 0 3 285.391 2.862 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000368177072 267150944 /nfs/dbraw/zinc/15/09/44/267150944.db2.gz FGVUAGAJZSSOLC-QGZVFWFLSA-N 0 3 293.455 2.860 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)[C@H]1SC ZINC000459568450 267152253 /nfs/dbraw/zinc/15/22/53/267152253.db2.gz ZZCJJEKFRDUUIO-RRFJBIMHSA-N 0 3 294.395 2.696 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000116907727 267193809 /nfs/dbraw/zinc/19/38/09/267193809.db2.gz CGGOGPBQIBANNY-BXKDBHETSA-N 0 3 297.196 2.530 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000116974252 267194414 /nfs/dbraw/zinc/19/44/14/267194414.db2.gz TUSLECMDZGHHNZ-HWOWSKLDSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H]3COC[C@H]32)c1 ZINC000369214034 267226445 /nfs/dbraw/zinc/22/64/45/267226445.db2.gz JFPPPIVNMMGEFX-DOTOQJQBSA-N 0 3 273.376 2.862 20 30 CFEDHN C[C@@H]1OCC[C@@]12CN(CCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000369389179 267238916 /nfs/dbraw/zinc/23/89/16/267238916.db2.gz MHEUPUARVKLNDI-IJEWVQPXSA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCCCCCN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000369555247 267250382 /nfs/dbraw/zinc/25/03/82/267250382.db2.gz AKVHYGBUYWAGKX-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CCCCCN[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000369974632 267280597 /nfs/dbraw/zinc/28/05/97/267280597.db2.gz PRNQBCUQHJAHMG-CQSZACIVSA-N 0 3 297.395 2.990 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000370367148 267312525 /nfs/dbraw/zinc/31/25/25/267312525.db2.gz NRRROYPMBNPORI-ZDUSSCGKSA-N 0 3 251.333 2.818 20 30 CFEDHN N#CCC1(CNC2CC(C#N)(c3ccccc3)C2)CC1 ZINC000370667136 267336626 /nfs/dbraw/zinc/33/66/26/267336626.db2.gz KUFDZDXRNHYZNI-UHFFFAOYSA-N 0 3 265.360 2.894 20 30 CFEDHN C[C@H](CNCC1(C#N)CCC1)CC1CCOCC1 ZINC000418140389 267362224 /nfs/dbraw/zinc/36/22/24/267362224.db2.gz JJMDRTFNJWZEOR-ZDUSSCGKSA-N 0 3 250.386 2.723 20 30 CFEDHN N#CC1(CNCCCc2ccc3c(c2)CCO3)CCC1 ZINC000418143076 267365559 /nfs/dbraw/zinc/36/55/59/267365559.db2.gz OPOHCGFCDQCQPI-UHFFFAOYSA-N 0 3 270.376 2.838 20 30 CFEDHN COc1ccccc1C[C@H](C)NCC1(C#N)CCC1 ZINC000418145928 267366828 /nfs/dbraw/zinc/36/68/28/267366828.db2.gz ZODLJZRIZMOQML-ZDUSSCGKSA-N 0 3 258.365 2.910 20 30 CFEDHN COCc1ccc(NCc2cnccc2N(C)C)cc1C#N ZINC000527760417 267510109 /nfs/dbraw/zinc/51/01/09/267510109.db2.gz BXGITVHINQMOFV-UHFFFAOYSA-N 0 3 296.374 2.778 20 30 CFEDHN Cn1cc([C@@H](NCCCCC#N)c2ccccc2)cn1 ZINC000376352192 267965267 /nfs/dbraw/zinc/96/52/67/267965267.db2.gz OMRIGHKOVNFOTQ-INIZCTEOSA-N 0 3 268.364 2.793 20 30 CFEDHN C=CCOCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000376846787 268023337 /nfs/dbraw/zinc/02/33/37/268023337.db2.gz TWBNRFAGKXOHAS-CQSZACIVSA-N 0 3 265.328 2.832 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H](CO)c3ccccc32)C1 ZINC000377081692 268045284 /nfs/dbraw/zinc/04/52/84/268045284.db2.gz XKPKVNDINCCCKJ-XJIUQZFPSA-N 0 3 270.376 2.879 20 30 CFEDHN C=CCN1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000377142256 268050355 /nfs/dbraw/zinc/05/03/55/268050355.db2.gz SFCMETNTPDOLOC-RHSMWYFYSA-N 0 3 296.374 2.671 20 30 CFEDHN C=CCN1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000377242873 268058934 /nfs/dbraw/zinc/05/89/34/268058934.db2.gz UBAUUCKLLCTCSQ-XYYAHUGASA-N 0 3 266.385 2.693 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@@H]1CCCc2cccnc21 ZINC000377247968 268059700 /nfs/dbraw/zinc/05/97/00/268059700.db2.gz CVHHOYDUVJYKCD-LSDHHAIUSA-N 0 3 260.381 2.718 20 30 CFEDHN Cn1ncc2c1CCC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000519037885 268134749 /nfs/dbraw/zinc/13/47/49/268134749.db2.gz OVYWTPORSQHBDG-IRXDYDNUSA-N 0 3 292.386 2.946 20 30 CFEDHN N#Cc1cnccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000521990831 268170304 /nfs/dbraw/zinc/17/03/04/268170304.db2.gz WBEGTTVHENTIOK-HNNXBMFYSA-N 0 3 298.415 2.686 20 30 CFEDHN C=CCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000132409203 273484113 /nfs/dbraw/zinc/48/41/13/273484113.db2.gz QVHYOPSRRIMKRK-UHFFFAOYSA-N 0 3 271.364 2.543 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000341792506 273601226 /nfs/dbraw/zinc/60/12/26/273601226.db2.gz JGAZZTKQXOSVRY-LLVKDONJSA-N 0 3 259.353 2.663 20 30 CFEDHN CS[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1N(C)C ZINC000271674363 274182562 /nfs/dbraw/zinc/18/25/62/274182562.db2.gz XVGCBXLCEOJDJJ-ZIAGYGMSSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000346140192 274287499 /nfs/dbraw/zinc/28/74/99/274287499.db2.gz XCFCYDVTVOTOGM-WBVHZDCISA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H](C)N1C ZINC000135266120 274591972 /nfs/dbraw/zinc/59/19/72/274591972.db2.gz WZOAPAZOCBZFAQ-STQMWFEESA-N 0 3 280.375 2.635 20 30 CFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1nccc(C#N)c1Cl ZINC000343812319 274639069 /nfs/dbraw/zinc/63/90/69/274639069.db2.gz VSXNRBMRCFMDHL-AAEUAGOBSA-N 0 3 290.798 2.670 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000110259029 274683140 /nfs/dbraw/zinc/68/31/40/274683140.db2.gz NYWZMAXFEVZFDK-OAHLLOKOSA-N 0 3 284.407 2.635 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288217143 275378832 /nfs/dbraw/zinc/37/88/32/275378832.db2.gz NDPVFRWKAFMUSD-DOTOQJQBSA-N 0 3 298.430 2.815 20 30 CFEDHN CC#CCN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352073762 275441636 /nfs/dbraw/zinc/44/16/36/275441636.db2.gz IXTJCMUBWWVHCO-CABCVRRESA-N 0 3 262.784 2.698 20 30 CFEDHN CC(C)NC(=O)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360657209 275653470 /nfs/dbraw/zinc/65/34/70/275653470.db2.gz MSDXHQDFUQZQKG-KRWDZBQOSA-N 0 3 299.418 2.830 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000272007826 275747287 /nfs/dbraw/zinc/74/72/87/275747287.db2.gz JLSOPDYRMLIEJM-CJNGLKHVSA-N 0 3 272.392 2.726 20 30 CFEDHN CCCN1CCCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000301889596 276006199 /nfs/dbraw/zinc/00/61/99/276006199.db2.gz NNPGUXMZGMXSAT-UHFFFAOYSA-N 0 3 298.434 2.754 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000329218445 276010709 /nfs/dbraw/zinc/01/07/09/276010709.db2.gz RTMZCLWBKOAIPP-WFASDCNBSA-N 0 3 281.400 2.574 20 30 CFEDHN CCN(C)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352820958 276071213 /nfs/dbraw/zinc/07/12/13/276071213.db2.gz FKKCLIJCAIXCMM-UHFFFAOYSA-N 0 3 285.313 2.618 20 30 CFEDHN CC1(C)SC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000334982892 276157882 /nfs/dbraw/zinc/15/78/82/276157882.db2.gz UZAUMXLNEROACJ-LBPRGKRZSA-N 0 3 250.342 2.681 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)cc1C ZINC000128828107 276233657 /nfs/dbraw/zinc/23/36/57/276233657.db2.gz JDVMDWIXLNZKDD-CVEARBPZSA-N 0 3 297.402 2.566 20 30 CFEDHN CCC[C@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000185855709 276288795 /nfs/dbraw/zinc/28/87/95/276288795.db2.gz AIWCJIUKRJGHNF-HNNXBMFYSA-N 0 3 291.439 2.984 20 30 CFEDHN CCOC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341699048 276331991 /nfs/dbraw/zinc/33/19/91/276331991.db2.gz QLHLQSRZEVQOSD-BLLLJJGKSA-N 0 3 258.365 2.950 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1C(C)(C)C)C(C)(C)C ZINC000290060021 277710801 /nfs/dbraw/zinc/71/08/01/277710801.db2.gz FFLSQLPBRBYQAZ-ZDUSSCGKSA-N 0 3 261.413 2.855 20 30 CFEDHN C=CCCC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CC1 ZINC000355799866 277827126 /nfs/dbraw/zinc/82/71/26/277827126.db2.gz YXZVFEHIEOUGPD-HNNXBMFYSA-N 0 3 276.424 2.820 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1ncccc1C#N ZINC000271792185 278242777 /nfs/dbraw/zinc/24/27/77/278242777.db2.gz JLNZTZDGDBVVSP-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN CC(C)(C#N)CCN1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351968670 278257388 /nfs/dbraw/zinc/25/73/88/278257388.db2.gz RSXSKYPAHAMZDS-CHWSQXEVSA-N 0 3 250.386 2.816 20 30 CFEDHN C[C@@H]1[C@H](O)CCCN1CCC1(C#N)CCCCC1 ZINC000335171726 279127147 /nfs/dbraw/zinc/12/71/47/279127147.db2.gz IWNGNDNYSSCKQD-ZIAGYGMSSA-N 0 3 250.386 2.696 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347613215 279172707 /nfs/dbraw/zinc/17/27/07/279172707.db2.gz GWXIJZDJVJDNED-LSDHHAIUSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000162817441 279458351 /nfs/dbraw/zinc/45/83/51/279458351.db2.gz UYDQDZRQNQNHHP-JSGCOSHPSA-N 0 3 263.768 2.706 20 30 CFEDHN Cc1cc(C#N)nc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)n1 ZINC000287729220 280319505 /nfs/dbraw/zinc/31/95/05/280319505.db2.gz LQCCGGHOOIWDRY-CJNGLKHVSA-N 0 3 295.390 2.760 20 30 CFEDHN N#Cc1ccc(CNCCc2c[nH]c3ccccc23)o1 ZINC000135123540 280767189 /nfs/dbraw/zinc/76/71/89/280767189.db2.gz VOIGPZJZEUSRHI-UHFFFAOYSA-N 0 3 265.316 2.965 20 30 CFEDHN CCOC[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249087444 281047753 /nfs/dbraw/zinc/04/77/53/281047753.db2.gz CHWHHVPAXJEGHW-UKRRQHHQSA-N 0 3 258.365 2.978 20 30 CFEDHN COCCOC[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249262764 281053729 /nfs/dbraw/zinc/05/37/29/281053729.db2.gz IDLMIAJPQSCKOU-GDBMZVCRSA-N 0 3 288.391 2.604 20 30 CFEDHN COC[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249414254 281057475 /nfs/dbraw/zinc/05/74/75/281057475.db2.gz YVNABESSMRZLAC-DZGCQCFKSA-N 0 3 258.365 2.978 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cn2)C[C@@H]1OC ZINC000554077793 281885577 /nfs/dbraw/zinc/88/55/77/281885577.db2.gz QOTQLFJIZGWLNL-CABCVRRESA-N 0 3 273.380 2.637 20 30 CFEDHN CC(F)(F)CNC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000555610376 281918187 /nfs/dbraw/zinc/91/81/87/281918187.db2.gz ZRSCQQJYYBINPG-UHFFFAOYSA-N 0 3 293.361 2.767 20 30 CFEDHN C[C@@H]1CCC[C@@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC000562362343 282077318 /nfs/dbraw/zinc/07/73/18/282077318.db2.gz OWSOILZOUPPDLH-HZPDHXFCSA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000347554372 290034903 /nfs/dbraw/zinc/03/49/03/290034903.db2.gz KBZMWRDZHBJVMP-LRDDRELGSA-N 0 3 285.391 2.643 20 30 CFEDHN CN(C)C1CN(c2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000563037126 290095953 /nfs/dbraw/zinc/09/59/53/290095953.db2.gz WNYFAVKOZXZTQP-UHFFFAOYSA-N 0 3 286.766 2.510 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc3cc(C#N)ccc3n2)CN1C1CC1 ZINC000564568222 290215741 /nfs/dbraw/zinc/21/57/41/290215741.db2.gz PKGSMEKTIYUMNC-WFASDCNBSA-N 0 3 292.386 2.565 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2c2nccc(C#N)c2Cl)C1 ZINC000429216433 290241017 /nfs/dbraw/zinc/24/10/17/290241017.db2.gz PHWAZPQSJAKVQP-STQMWFEESA-N 0 3 290.798 2.527 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)cc1C ZINC000566028411 290342478 /nfs/dbraw/zinc/34/24/78/290342478.db2.gz OMFQTPSYUIEMQH-INIZCTEOSA-N 0 3 299.418 2.813 20 30 CFEDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000567617424 290478068 /nfs/dbraw/zinc/47/80/68/290478068.db2.gz JWGVKVCRSLJDJE-IAQYHMDHSA-N 0 3 264.344 2.584 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCOC1 ZINC000360658436 303201290 /nfs/dbraw/zinc/20/12/90/303201290.db2.gz SNGMLMNIZUCQRS-GOEBONIOSA-N 0 3 256.349 2.704 20 30 CFEDHN N#CC1(Nc2ccc(CN3CCCC3)cn2)CCC1 ZINC001154919637 782077503 /nfs/dbraw/zinc/07/75/03/782077503.db2.gz IJFZWPRWDGMLJN-UHFFFAOYSA-N 0 3 256.353 2.536 20 30 CFEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000185824391 327846697 /nfs/dbraw/zinc/84/66/97/327846697.db2.gz XJSDFXNGJIHWCB-IPYPFGDCSA-N 0 3 271.364 2.686 20 30 CFEDHN Cn1cc(CN[C@@H]2CCC[C@H](C#N)C2)c(C(F)(F)F)n1 ZINC000185867696 327848629 /nfs/dbraw/zinc/84/86/29/327848629.db2.gz WJNXMUIUSZCDPF-GXSJLCMTSA-N 0 3 286.301 2.611 20 30 CFEDHN C[C@@](O)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000192890937 327878816 /nfs/dbraw/zinc/87/88/16/327878816.db2.gz XNJPQVSXDDWFEN-IACUBPJLSA-N 0 3 264.394 2.628 20 30 CFEDHN C=CCCCCN1CCN(c2ccccc2O)CC1 ZINC000571016971 327975316 /nfs/dbraw/zinc/97/53/16/327975316.db2.gz DRRIWRMQUJKQQN-UHFFFAOYSA-N 0 3 260.381 2.871 20 30 CFEDHN CC[C@H](C(=O)N1CCC(CCC#N)CC1)N(CC)CC ZINC000567947067 327979852 /nfs/dbraw/zinc/97/98/52/327979852.db2.gz INAFPIQYLZKKIK-OAHLLOKOSA-N 0 3 279.428 2.649 20 30 CFEDHN N#CCCCCN1CCC(Nc2ccccn2)CC1 ZINC000534129812 328035209 /nfs/dbraw/zinc/03/52/09/328035209.db2.gz UAWSTOBXJXNINS-UHFFFAOYSA-N 0 3 258.369 2.652 20 30 CFEDHN N#CC1(CCN2CC[C@@H](n3cccn3)C2)CCCCC1 ZINC000411746508 328098669 /nfs/dbraw/zinc/09/86/69/328098669.db2.gz OMOSQOXLRGUIFI-OAHLLOKOSA-N 0 3 272.396 2.994 20 30 CFEDHN O[C@H](CNCC#Cc1ccccc1)CC1CCCC1 ZINC000571316338 328104941 /nfs/dbraw/zinc/10/49/41/328104941.db2.gz VYCSIFYAYLBVII-KRWDZBQOSA-N 0 3 257.377 2.569 20 30 CFEDHN C[C@H](CC#N)N(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000264009346 328156833 /nfs/dbraw/zinc/15/68/33/328156833.db2.gz AGRIKLFGMIAJAB-CQSZACIVSA-N 0 3 285.391 2.657 20 30 CFEDHN CN(C)Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC000414497986 328189184 /nfs/dbraw/zinc/18/91/84/328189184.db2.gz LWMDTPJXDCICGU-DGCLKSJQSA-N 0 3 261.344 2.991 20 30 CFEDHN CN(CCc1ccccn1)Cc1ccc(OCC#N)cc1 ZINC000270980802 328194471 /nfs/dbraw/zinc/19/44/71/328194471.db2.gz GFYWRELDLUOYKS-UHFFFAOYSA-N 0 3 281.359 2.658 20 30 CFEDHN C=CCCCC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000175385896 329165401 /nfs/dbraw/zinc/16/54/01/329165401.db2.gz OKSBGVRPFYJPPQ-MRXNPFEDSA-N 0 3 274.408 2.632 20 30 CFEDHN Cc1cccc(CN2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278600638 328228198 /nfs/dbraw/zinc/22/81/98/328228198.db2.gz LUWMMICBYVCAIO-WMZOPIPTSA-N 0 3 283.419 2.805 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000281630733 328240699 /nfs/dbraw/zinc/24/06/99/328240699.db2.gz IFUUIBPEALJTNI-XJKSGUPXSA-N 0 3 274.364 2.588 20 30 CFEDHN Cc1ccc(CNCCCC#N)c(-c2cnn(C)c2)c1 ZINC000282677430 328243218 /nfs/dbraw/zinc/24/32/18/328243218.db2.gz ODQIGEIDXBMRLC-UHFFFAOYSA-N 0 3 268.364 2.789 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(F)F ZINC000452681374 328269133 /nfs/dbraw/zinc/26/91/33/328269133.db2.gz ZABGNYKKMMNAPF-OLZOCXBDSA-N 0 3 280.318 2.919 20 30 CFEDHN CC(C)(NCCOCCC#N)c1ccccc1F ZINC000293557746 328276594 /nfs/dbraw/zinc/27/65/94/328276594.db2.gz LXQGCCAXCBXXTG-UHFFFAOYSA-N 0 3 250.317 2.581 20 30 CFEDHN C[C@@H](NCCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551049 328306474 /nfs/dbraw/zinc/30/64/74/328306474.db2.gz ZTLONDZWXZJDOW-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CC1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000111256747 328340837 /nfs/dbraw/zinc/34/08/37/328340837.db2.gz QNBSFISZJWEXKR-UHFFFAOYSA-N 0 3 276.424 2.891 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000162742845 322368219 /nfs/dbraw/zinc/36/82/19/322368219.db2.gz LLFDPFXBKFRJCV-AWEZNQCLSA-N 0 3 266.772 2.972 20 30 CFEDHN C=CCOc1ccc(CNCC[C@@H](C)O)cc1Cl ZINC000304112903 328376892 /nfs/dbraw/zinc/37/68/92/328376892.db2.gz GTGMLFPNUJJUJJ-LLVKDONJSA-N 0 3 269.772 2.765 20 30 CFEDHN COc1ccc(CCCNCc2ccc(C#N)o2)cc1 ZINC000174296380 323646267 /nfs/dbraw/zinc/64/62/67/323646267.db2.gz QGIHYZVDVZLDJR-UHFFFAOYSA-N 0 3 270.332 2.882 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1ccccc1CNC ZINC000415904898 328430640 /nfs/dbraw/zinc/43/06/40/328430640.db2.gz SWTTVVJTSQTXJS-UHFFFAOYSA-N 0 3 259.353 2.612 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000123235128 328447019 /nfs/dbraw/zinc/44/70/19/328447019.db2.gz JMPMWXBQHKGUCF-AWEZNQCLSA-N 0 3 264.413 2.745 20 30 CFEDHN C[C@H](Cc1cnccn1)NC1(c2cccc(C#N)c2)CC1 ZINC000579676181 324969983 /nfs/dbraw/zinc/96/99/83/324969983.db2.gz QWSYUAFZKRYZAL-CYBMUJFWSA-N 0 3 278.359 2.558 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)cc1 ZINC000583625782 325299986 /nfs/dbraw/zinc/29/99/86/325299986.db2.gz LTVAMQZOOCPENG-KSSFIOAISA-N 0 3 280.371 2.812 20 30 CFEDHN C[C@H](NC(=O)C1(C#N)CC(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000557772157 327026246 /nfs/dbraw/zinc/02/62/46/327026246.db2.gz NHRLNMOPCRBGOH-NOAVELHRSA-N 0 3 299.418 2.734 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@]1(C)CCOC1 ZINC000344389875 327039861 /nfs/dbraw/zinc/03/98/61/327039861.db2.gz KRWKFMWNDBLCIB-MRXNPFEDSA-N 0 3 261.365 2.768 20 30 CFEDHN N#CCSCCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000074982197 327122808 /nfs/dbraw/zinc/12/28/08/327122808.db2.gz UKGPAXOZXHJHFG-OAHLLOKOSA-N 0 3 294.420 2.907 20 30 CFEDHN CCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000076673632 327130370 /nfs/dbraw/zinc/13/03/70/327130370.db2.gz ZMUGERKQUMWEBQ-ZDUSSCGKSA-N 0 3 291.370 2.803 20 30 CFEDHN COc1cccc(C[C@H]2CCCN2CCOCCC#N)c1 ZINC000559049647 327138989 /nfs/dbraw/zinc/13/89/89/327138989.db2.gz RHHAOTWYCXXZOV-MRXNPFEDSA-N 0 3 288.391 2.632 20 30 CFEDHN CC[C@@H](CC#N)NCC/C=C/c1cncc(OC)c1 ZINC000572614004 327142460 /nfs/dbraw/zinc/14/24/60/327142460.db2.gz UBFNUPKVQZBORT-YVZNUBBCSA-N 0 3 259.353 2.775 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)CC12CCCCC2 ZINC000518515558 327171045 /nfs/dbraw/zinc/17/10/45/327171045.db2.gz DFWKNNBOUYMJOV-CABCVRRESA-N 0 3 291.439 2.826 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2CO[C@@H](C)C2)ccc1OC ZINC000564655833 327196215 /nfs/dbraw/zinc/19/62/15/327196215.db2.gz MGWIRBOEFGYALO-ZFWWWQNUSA-N 0 3 291.391 2.917 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000115278951 327231711 /nfs/dbraw/zinc/23/17/11/327231711.db2.gz KYZXRZRNXWPHTA-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN CC(=O)N1CC[C@H](N[C@@H]2CC[C@@H](C#N)C2)c2ccccc21 ZINC000559784270 327261771 /nfs/dbraw/zinc/26/17/71/327261771.db2.gz XRGNGMCGUIOZDV-FMKPAKJESA-N 0 3 283.375 2.766 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2Cn2cccn2)C1 ZINC000583360763 327319862 /nfs/dbraw/zinc/31/98/62/327319862.db2.gz VASTXOGUTPJJTR-PBHICJAKSA-N 0 3 280.375 2.713 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@@]2(CCSC2)C1 ZINC000564990393 327341989 /nfs/dbraw/zinc/34/19/89/327341989.db2.gz HVLFSEFWZFXJIV-AWEZNQCLSA-N 0 3 268.426 2.524 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCC[C@@H](C)C2)CCCC1 ZINC000449625095 327395460 /nfs/dbraw/zinc/39/54/60/327395460.db2.gz AUTFXXGRKXSLOQ-OAHLLOKOSA-N 0 3 278.440 2.971 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCC[C@H](C)C2)CCCC1 ZINC000449625093 327395463 /nfs/dbraw/zinc/39/54/63/327395463.db2.gz AUTFXXGRKXSLOQ-HNNXBMFYSA-N 0 3 278.440 2.971 20 30 CFEDHN C[C@H](CCc1ccc2c(c1)OCO2)NCC1(C#N)CC1 ZINC000562392078 327478110 /nfs/dbraw/zinc/47/81/10/327478110.db2.gz IYXKTRITGDWIFJ-GFCCVEGCSA-N 0 3 272.348 2.630 20 30 CFEDHN C#C[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000289566095 327532244 /nfs/dbraw/zinc/53/22/44/327532244.db2.gz SEXHMHMCVVMOKM-SECBINFHSA-N 0 3 268.154 2.574 20 30 CFEDHN C=CCc1cc(CN[C@@]2(C)CCCOC2)cc(OC)c1O ZINC000357338795 328869507 /nfs/dbraw/zinc/86/95/07/328869507.db2.gz APWRKUJGRRMMMW-KRWDZBQOSA-N 0 3 291.391 2.788 20 30 CFEDHN CC#CCCNCc1ccc(OC)c(OCCCC#N)c1 ZINC000360969887 328913403 /nfs/dbraw/zinc/91/34/03/328913403.db2.gz WDLHGKVLGBOGIH-UHFFFAOYSA-N 0 3 286.375 2.881 20 30 CFEDHN CC#CCCNCc1ccc(OC(F)F)c(OC)c1 ZINC000360967947 328913445 /nfs/dbraw/zinc/91/34/45/328913445.db2.gz FRYZOYBNYAGZEU-UHFFFAOYSA-N 0 3 269.291 2.800 20 30 CFEDHN CC#CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000361220598 328915335 /nfs/dbraw/zinc/91/53/35/328915335.db2.gz NENWOQKBIANDSA-QGZVFWFLSA-N 0 3 299.418 2.536 20 30 CFEDHN C=CCCC[C@H](C)NCc1cnc(-c2cnn(C)c2)nc1 ZINC000370486093 328950282 /nfs/dbraw/zinc/95/02/82/328950282.db2.gz VYYBSHANSRLSIQ-ZDUSSCGKSA-N 0 3 285.395 2.712 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000377730234 329027361 /nfs/dbraw/zinc/02/73/61/329027361.db2.gz XOHKIJQFBZQXDU-HNNXBMFYSA-N 0 3 287.403 2.870 20 30 CFEDHN C=CC(C)(C)CNC(=O)N(CCC)CCN1CCCC1 ZINC000458987619 329063755 /nfs/dbraw/zinc/06/37/55/329063755.db2.gz MPSHQFYSSFTMPR-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)c2ccc(F)cc2)CC1 ZINC000171737667 329079790 /nfs/dbraw/zinc/07/97/90/329079790.db2.gz KCEVZHLHGODPSQ-UHFFFAOYSA-N 0 3 291.370 2.622 20 30 CFEDHN C=CCCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000172175065 329082062 /nfs/dbraw/zinc/08/20/62/329082062.db2.gz DJYBLHXICZPFFG-UHFFFAOYSA-N 0 3 290.382 2.940 20 30 CFEDHN CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000582602543 329114266 /nfs/dbraw/zinc/11/42/66/329114266.db2.gz WUPSLFXZSBDCLN-AWEZNQCLSA-N 0 3 295.390 2.595 20 30 CFEDHN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](c2nnc[n-]2)C1 ZINC000582602543 329114268 /nfs/dbraw/zinc/11/42/68/329114268.db2.gz WUPSLFXZSBDCLN-AWEZNQCLSA-N 0 3 295.390 2.595 20 30 CFEDHN C=C(C)CNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418333704 329146174 /nfs/dbraw/zinc/14/61/74/329146174.db2.gz SIDKHSOQBSFTNI-OAHLLOKOSA-N 0 3 275.396 2.685 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC12CC2)C(C)C ZINC000425597947 329162067 /nfs/dbraw/zinc/16/20/67/329162067.db2.gz FIMPYGLKEXMVMC-GJZGRUSLSA-N 0 3 291.439 2.537 20 30 CFEDHN COCC(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC000175759292 329167912 /nfs/dbraw/zinc/16/79/12/329167912.db2.gz UVUUXTGVYSQJOZ-UHFFFAOYSA-N 0 3 251.757 2.706 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 ZINC000178028293 329191791 /nfs/dbraw/zinc/19/17/91/329191791.db2.gz WHDWTIQAZADIGM-QWRGUYRKSA-N 0 3 251.292 2.588 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000180383860 329215610 /nfs/dbraw/zinc/21/56/10/329215610.db2.gz FQCPLXWBEYJQGK-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN(CCCCC#N)C1 ZINC000184462152 329260381 /nfs/dbraw/zinc/26/03/81/329260381.db2.gz AFQYNHQTAALGKT-AWEZNQCLSA-N 0 3 266.385 2.734 20 30 CFEDHN Cc1ccnc([C@@H]2CCN([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC000582854558 329280880 /nfs/dbraw/zinc/28/08/80/329280880.db2.gz RDGRZHXGABRKOM-ZNMIVQPWSA-N 0 3 255.365 2.872 20 30 CFEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000185826964 329329968 /nfs/dbraw/zinc/32/99/68/329329968.db2.gz FMPWJGOCKOLMOJ-ZOBUZTSGSA-N 0 3 297.402 2.854 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000185867881 329333932 /nfs/dbraw/zinc/33/39/32/329333932.db2.gz ZKMURHQHTKFQRI-ZFWWWQNUSA-N 0 3 296.374 2.951 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCC(C)CC2)CCC1 ZINC000188717968 329370758 /nfs/dbraw/zinc/37/07/58/329370758.db2.gz YGYVZFWRKIPZST-UHFFFAOYSA-N 0 3 264.413 2.581 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000583242964 329392607 /nfs/dbraw/zinc/39/26/07/329392607.db2.gz WZLVIRWZAHWXQV-NWDGAFQWSA-N 0 3 292.345 2.952 20 30 CFEDHN N#CC1CCN(CCCc2ccc3c(c2)CCO3)CC1 ZINC000193242598 329439421 /nfs/dbraw/zinc/43/94/21/329439421.db2.gz HKBGBDXEOVTMQH-UHFFFAOYSA-N 0 3 270.376 2.790 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418646875 329538175 /nfs/dbraw/zinc/53/81/75/329538175.db2.gz GDDHUGABNNCETD-INIZCTEOSA-N 0 3 287.407 2.632 20 30 CFEDHN C[C@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000127403840 329599571 /nfs/dbraw/zinc/59/95/71/329599571.db2.gz PGVHPKBZQMCYIO-NXYGQSRBSA-N 0 3 296.370 2.701 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccnc3c2c(C)nn3C)CC1 ZINC000420604021 329778855 /nfs/dbraw/zinc/77/88/55/329778855.db2.gz RGTSBPRCYDPKPD-UHFFFAOYSA-N 0 3 299.422 2.729 20 30 CFEDHN C=C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000264472985 330061417 /nfs/dbraw/zinc/06/14/17/330061417.db2.gz OCPSOHIBSDVAPZ-UHFFFAOYSA-N 0 3 298.386 2.715 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421845524 330094808 /nfs/dbraw/zinc/09/48/08/330094808.db2.gz XLBJYOXZAMHUDL-JQWIXIFHSA-N 0 3 269.772 2.936 20 30 CFEDHN CC[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000421918390 330109278 /nfs/dbraw/zinc/10/92/78/330109278.db2.gz PLJKLBPQERJYOH-DZGCQCFKSA-N 0 3 258.365 2.921 20 30 CFEDHN C=CCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000080564560 330141071 /nfs/dbraw/zinc/14/10/71/330141071.db2.gz NBTYVSMWEJUUJK-GXTWGEPZSA-N 0 3 293.436 2.616 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CCNCC2)cn1 ZINC000423232066 330180566 /nfs/dbraw/zinc/18/05/66/330180566.db2.gz MGTMVSOECZESQB-UONOGXRCSA-N 0 3 274.412 2.504 20 30 CFEDHN C=CCCCC(=O)NC[C@H](N)c1ccccc1CC ZINC000423942518 330217179 /nfs/dbraw/zinc/21/71/79/330217179.db2.gz PTRTZLHVGNFRAB-HNNXBMFYSA-N 0 3 260.381 2.721 20 30 CFEDHN CN(Cc1ccc2ccccc2c1)C(=O)[C@@H](N)CCCC#N ZINC000424060885 330218747 /nfs/dbraw/zinc/21/87/47/330218747.db2.gz DLKLNPLJWSTYFC-KRWDZBQOSA-N 0 3 295.386 2.819 20 30 CFEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424064407 330219156 /nfs/dbraw/zinc/21/91/56/330219156.db2.gz JWPOBPPOBRTIDF-HUUCEWRRSA-N 0 3 273.380 2.521 20 30 CFEDHN Cc1cc(Cl)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424077080 330221007 /nfs/dbraw/zinc/22/10/07/330221007.db2.gz NKMFAYPQNJWBRC-LLVKDONJSA-N 0 3 265.744 2.608 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424077384 330221017 /nfs/dbraw/zinc/22/10/17/330221017.db2.gz NXSSGSZVDFOYOQ-MFKMUULPSA-N 0 3 279.771 2.538 20 30 CFEDHN CC(C)CCN(CCC(C)C)C(=O)[C@@H](N)CCCC#N ZINC000424079555 330221582 /nfs/dbraw/zinc/22/15/82/330221582.db2.gz RFLXWOUWBKAVIZ-HNNXBMFYSA-N 0 3 281.444 2.928 20 30 CFEDHN CCCCOc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424090909 330225245 /nfs/dbraw/zinc/22/52/45/330225245.db2.gz YLYVHJKLKURQGE-CYBMUJFWSA-N 0 3 289.379 2.825 20 30 CFEDHN CCN(Cc1cccc(Cl)c1)C(=O)[C@H](N)CCCC#N ZINC000424092315 330225907 /nfs/dbraw/zinc/22/59/07/330225907.db2.gz PSLCWPIFPREKJW-CQSZACIVSA-N 0 3 293.798 2.710 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424095789 330226915 /nfs/dbraw/zinc/22/69/15/330226915.db2.gz OAVGKXKRVVLOBY-ZDUSSCGKSA-N 0 3 279.771 2.714 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000424095742 330227044 /nfs/dbraw/zinc/22/70/44/330227044.db2.gz WWGQCPXUTKPUAQ-LSDHHAIUSA-N 0 3 289.354 2.510 20 30 CFEDHN CC(C)[C@H](CNC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424096772 330227483 /nfs/dbraw/zinc/22/74/83/330227483.db2.gz PVNQDRYOYNLEJL-HOTGVXAUSA-N 0 3 287.407 2.564 20 30 CFEDHN CC(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424103038 330233647 /nfs/dbraw/zinc/23/36/47/330233647.db2.gz PRKOYKFRBOMGMJ-STQMWFEESA-N 0 3 293.436 2.973 20 30 CFEDHN CC(C)C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424103035 330233660 /nfs/dbraw/zinc/23/36/60/330233660.db2.gz PRKOYKFRBOMGMJ-CHWSQXEVSA-N 0 3 293.436 2.973 20 30 CFEDHN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H](N)CCCC#N ZINC000424104255 330233820 /nfs/dbraw/zinc/23/38/20/330233820.db2.gz UEMYABLVPFTOIC-BXUZGUMPSA-N 0 3 293.798 2.881 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC2(CCCCC2)CC1 ZINC000424109923 330237380 /nfs/dbraw/zinc/23/73/80/330237380.db2.gz BLAFNNNMQRHZQW-AWEZNQCLSA-N 0 3 277.412 2.580 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NCCCCCc1ccccc1 ZINC000424114995 330243224 /nfs/dbraw/zinc/24/32/24/330243224.db2.gz SVKGFBSOCWMBEW-INIZCTEOSA-N 0 3 287.407 2.537 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000424122366 330254155 /nfs/dbraw/zinc/25/41/55/330254155.db2.gz JZCKBTAWFVHREX-LBPRGKRZSA-N 0 3 298.346 2.665 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424122889 330255028 /nfs/dbraw/zinc/25/50/28/330255028.db2.gz JXMMMTPQMOSEAT-UXLLHSPISA-N 0 3 299.418 2.721 20 30 CFEDHN CC(C)CC1(CNC(=O)[C@H](N)CCCC#N)CCCC1 ZINC000424123405 330255488 /nfs/dbraw/zinc/25/54/88/330255488.db2.gz KJAMAXMKCQPLBJ-CQSZACIVSA-N 0 3 279.428 2.730 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000424125503 330258670 /nfs/dbraw/zinc/25/86/70/330258670.db2.gz NXNPJCNPXJBUQV-OAHLLOKOSA-N 0 3 297.402 2.866 20 30 CFEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)CC[C@@H]1c1ccccc1 ZINC000424134068 330266676 /nfs/dbraw/zinc/26/66/76/330266676.db2.gz XVRWJAQMDXQNKH-PVAVHDDUSA-N 0 3 299.418 2.660 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424135889 330270890 /nfs/dbraw/zinc/27/08/90/330270890.db2.gz KAMGBEKHAXTKDM-ZFWWWQNUSA-N 0 3 273.380 2.502 20 30 CFEDHN Cc1cnc(-c2cccc(NC(=O)[C@H](N)CCCC#N)c2)o1 ZINC000424136810 330272633 /nfs/dbraw/zinc/27/26/33/330272633.db2.gz KURLMANYIWONKA-CQSZACIVSA-N 0 3 298.346 2.610 20 30 CFEDHN C=CC[C@@H](CC)NCc1csc(-c2cnn(C)c2)n1 ZINC000527701954 330274705 /nfs/dbraw/zinc/27/47/05/330274705.db2.gz CBWLSJXMABXKBP-GFCCVEGCSA-N 0 3 276.409 2.988 20 30 CFEDHN C=CCOc1ccc(CN[C@]23C[C@H]2COC3(C)C)cc1 ZINC000527759217 330281195 /nfs/dbraw/zinc/28/11/95/330281195.db2.gz OCGMWCBKFXRHAD-WMLDXEAASA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCOc1ccc(CN[C@@]23C[C@@H]2COC3(C)C)cc1 ZINC000527759213 330281209 /nfs/dbraw/zinc/28/12/09/330281209.db2.gz OCGMWCBKFXRHAD-PBHICJAKSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC[C@H]2CC=CCC2)CC1 ZINC000527769049 330281995 /nfs/dbraw/zinc/28/19/95/330281995.db2.gz VTIYQEJDJOFUJO-HNNXBMFYSA-N 0 3 291.439 2.682 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527890788 330292257 /nfs/dbraw/zinc/29/22/57/330292257.db2.gz SKNBMZBRDNQOPV-HZMBPMFUSA-N 0 3 269.747 2.993 20 30 CFEDHN COc1cccc([C@H](CN[C@H]2CC[C@H](C#N)C2)OC)c1 ZINC000527925541 330296519 /nfs/dbraw/zinc/29/65/19/330296519.db2.gz KZGXMFDBWUUTMB-NOLJZWGESA-N 0 3 274.364 2.665 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(F)cc(C)cc1F ZINC000424162110 330307301 /nfs/dbraw/zinc/30/73/01/330307301.db2.gz CAFSSZAAYSXKJL-NSHDSACASA-N 0 3 255.308 2.547 20 30 CFEDHN CCc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1C ZINC000424171029 330311052 /nfs/dbraw/zinc/31/10/52/330311052.db2.gz IRAGUIZNMRHMTL-AWEZNQCLSA-N 0 3 259.353 2.517 20 30 CFEDHN C[C@H]1CCCN(C(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424171582 330311707 /nfs/dbraw/zinc/31/17/07/330311707.db2.gz MGAYZLQNZCADQH-ZFWWWQNUSA-N 0 3 285.391 2.938 20 30 CFEDHN C=CCn1cc(CNC[C@H]2CCC[C@@H](CC)C2)nn1 ZINC000424175257 330315351 /nfs/dbraw/zinc/31/53/51/330315351.db2.gz UAFRIJPGOPFESB-KGLIPLIRSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000424176396 330316610 /nfs/dbraw/zinc/31/66/10/330316610.db2.gz XMVRBLWEMISDBA-QWRGUYRKSA-N 0 3 288.317 2.675 20 30 CFEDHN C=CCC1(C(=O)Nc2ccc3c(c2)CNC3)CCOCC1 ZINC000424193277 330324146 /nfs/dbraw/zinc/32/41/46/330324146.db2.gz QGABOLVVWNNXQY-UHFFFAOYSA-N 0 3 286.375 2.601 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000424195832 330324668 /nfs/dbraw/zinc/32/46/68/330324668.db2.gz MOHJSVPMHSJGGY-XHDPSFHLSA-N 0 3 284.338 2.998 20 30 CFEDHN CC(C)(C)c1ncc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424195496 330324717 /nfs/dbraw/zinc/32/47/17/330324717.db2.gz DOOGULPJDLAPCD-WCQYABFASA-N 0 3 258.369 2.556 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)[C@@H](C)CCCC)nn1 ZINC000424290324 330334464 /nfs/dbraw/zinc/33/44/64/330334464.db2.gz BKZBWAKHUARTTH-STQMWFEESA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCc2ccsc2)nn1 ZINC000424292824 330335214 /nfs/dbraw/zinc/33/52/14/330335214.db2.gz HOGWEHLVCKEOJH-LBPRGKRZSA-N 0 3 276.409 2.637 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)Cc2ccc(C)cc2)nn1 ZINC000424294136 330335684 /nfs/dbraw/zinc/33/56/84/330335684.db2.gz JWJFHDXIHIKLNE-INIZCTEOSA-N 0 3 284.407 2.883 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)C[C@H](C)CC)nn1 ZINC000424294933 330335927 /nfs/dbraw/zinc/33/59/27/330335927.db2.gz LWINTVPZPMYNMP-OLZOCXBDSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCC[C@H]2C(C)C)nn1 ZINC000424295724 330336031 /nfs/dbraw/zinc/33/60/31/330336031.db2.gz NENYJTFHYDRQAG-GJZGRUSLSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@@H](C)c2ccccc2)nn1 ZINC000424296383 330336082 /nfs/dbraw/zinc/33/60/82/330336082.db2.gz OGUVFDWMSIABNE-ZIAGYGMSSA-N 0 3 270.380 2.746 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2CCCC)nn1 ZINC000424299146 330336759 /nfs/dbraw/zinc/33/67/59/330336759.db2.gz UZRMODLMXNGVGW-HIFRSBDPSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@@H](Cc2ccc(C)cc2)C2CC2)nn1 ZINC000424299073 330336792 /nfs/dbraw/zinc/33/67/92/330336792.db2.gz UTNNDNGRHJNJGL-SFHVURJKSA-N 0 3 296.418 2.883 20 30 CFEDHN CC#CCN1CCC(Nc2ccccc2OC)CC1 ZINC000084881123 330363061 /nfs/dbraw/zinc/36/30/61/330363061.db2.gz TXTRBUDPEMUGON-UHFFFAOYSA-N 0 3 258.365 2.595 20 30 CFEDHN C=CCN(C)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000119099147 330370106 /nfs/dbraw/zinc/37/01/06/330370106.db2.gz GSVCKZOTNIJCAB-AWEZNQCLSA-N 0 3 289.423 2.943 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000087608654 330373702 /nfs/dbraw/zinc/37/37/02/330373702.db2.gz XDQJUOOQDSJCRK-UONOGXRCSA-N 0 3 250.386 2.960 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000119782597 330379823 /nfs/dbraw/zinc/37/98/23/330379823.db2.gz WXCJIEWTHQSADT-UONOGXRCSA-N 0 3 296.455 2.735 20 30 CFEDHN C=CC1CCN(Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093359309 330419566 /nfs/dbraw/zinc/41/95/66/330419566.db2.gz ITDKUXHNPDKECX-UHFFFAOYSA-N 0 3 282.391 2.880 20 30 CFEDHN C=CCCCC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000430479589 330568570 /nfs/dbraw/zinc/56/85/70/330568570.db2.gz WPPOVIDDXPKKLV-UHFFFAOYSA-N 0 3 290.411 2.753 20 30 CFEDHN N#CCCC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000433021985 330612504 /nfs/dbraw/zinc/61/25/04/330612504.db2.gz SOIUDGIEQCKNTF-CHWSQXEVSA-N 0 3 286.297 2.934 20 30 CFEDHN CN(C(=O)CN[C@@H](CCCC#N)c1ccccc1)C1CC1 ZINC000433023062 330612816 /nfs/dbraw/zinc/61/28/16/330612816.db2.gz NEABAWFAYJYHHW-INIZCTEOSA-N 0 3 285.391 2.632 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000442703762 330779945 /nfs/dbraw/zinc/77/99/45/330779945.db2.gz BDBCNSMVFMGKJH-KWCYVHTRSA-N 0 3 263.410 2.633 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc(Cn3ccnc3)c2)C1 ZINC000442714890 330780430 /nfs/dbraw/zinc/78/04/30/330780430.db2.gz MATJEJOZSTYPFD-PBHICJAKSA-N 0 3 280.375 2.713 20 30 CFEDHN CN(C)Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000442771893 330781841 /nfs/dbraw/zinc/78/18/41/330781841.db2.gz UYAOYKIWURSRJI-SWLSCSKDSA-N 0 3 275.371 2.669 20 30 CFEDHN N#C[C@@H]1CC[C@@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000442850668 330786867 /nfs/dbraw/zinc/78/68/67/330786867.db2.gz DNEBGINADXFKKW-GDBMZVCRSA-N 0 3 299.418 2.747 20 30 CFEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000442876645 330789698 /nfs/dbraw/zinc/78/96/98/330789698.db2.gz VMFALHMTQHHMRS-CVEARBPZSA-N 0 3 298.434 2.851 20 30 CFEDHN C=CCOc1cccc(CN[C@]2(CCOC)CCOC2)c1 ZINC000447070970 330860537 /nfs/dbraw/zinc/86/05/37/330860537.db2.gz VQSMUODVYBNHFO-QGZVFWFLSA-N 0 3 291.391 2.537 20 30 CFEDHN COc1ncc(CN[C@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000449461834 330927560 /nfs/dbraw/zinc/92/75/60/330927560.db2.gz RUOBVSPPLOJAEY-KOLCDFICSA-N 0 3 265.744 2.525 20 30 CFEDHN COc1ncc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000449461833 330927589 /nfs/dbraw/zinc/92/75/89/330927589.db2.gz RUOBVSPPLOJAEY-GXSJLCMTSA-N 0 3 265.744 2.525 20 30 CFEDHN C=CCc1cc(CN[C@H]2COCC2(C)C)cc(OC)c1O ZINC000449624516 330940645 /nfs/dbraw/zinc/94/06/45/330940645.db2.gz OSMIKIDWMVWLGF-HNNXBMFYSA-N 0 3 291.391 2.644 20 30 CFEDHN C=CCc1cc(CN[C@@H]2COCC2(C)C)cc(OC)c1O ZINC000449624517 330940708 /nfs/dbraw/zinc/94/07/08/330940708.db2.gz OSMIKIDWMVWLGF-OAHLLOKOSA-N 0 3 291.391 2.644 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(CC=C)c(O)c(OC)c1 ZINC000449700206 330944757 /nfs/dbraw/zinc/94/47/57/330944757.db2.gz SJHYPVAGSHZCJW-HNNXBMFYSA-N 0 3 291.391 2.546 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)CCCC1 ZINC000450264687 330969338 /nfs/dbraw/zinc/96/93/38/330969338.db2.gz GPCPAIFVROHBLV-KGLIPLIRSA-N 0 3 296.480 2.627 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCCN(C)[C@H]2C)CCCC1 ZINC000450795449 331000003 /nfs/dbraw/zinc/00/00/03/331000003.db2.gz OGKLTVCHFSENLC-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN CCN(CC1(C#N)CCC1)[C@@H]1CCOC(C)(C)C1 ZINC000451047853 331013473 /nfs/dbraw/zinc/01/34/73/331013473.db2.gz XVBUYPLVOSSZCW-CYBMUJFWSA-N 0 3 250.386 2.960 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cncc(F)c1 ZINC000451224977 331021024 /nfs/dbraw/zinc/02/10/24/331021024.db2.gz FXXSOMPIGOYICO-HONMWMINSA-N 0 3 250.317 2.605 20 30 CFEDHN C[C@H]1CN(CCCC#N)C2(CCCC2)CN1CCCC#N ZINC000451348580 331025220 /nfs/dbraw/zinc/02/52/20/331025220.db2.gz XXQAGCLGLRFYAH-INIZCTEOSA-N 0 3 288.439 2.913 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)c(F)c1 ZINC000451610708 331036841 /nfs/dbraw/zinc/03/68/41/331036841.db2.gz ZFXNAPNCCCYNCV-FZZIBODNSA-N 0 3 253.292 2.959 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)c(OC)c1 ZINC000451615341 331037150 /nfs/dbraw/zinc/03/71/50/331037150.db2.gz VKQLTQGPBXQJND-OLZOCXBDSA-N 0 3 267.756 2.782 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccccc1N(C)C ZINC000451679581 331038819 /nfs/dbraw/zinc/03/88/19/331038819.db2.gz ZHKUQYSNYQOVEP-ZBFHGGJFSA-N 0 3 260.381 2.576 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N[C@@H](C)CCCC(C)C ZINC000451683875 331039020 /nfs/dbraw/zinc/03/90/20/331039020.db2.gz VYWDTONSRBQQPS-XHSDSOJGSA-N 0 3 296.455 2.641 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)cc(C)nc1OC ZINC000451684514 331039097 /nfs/dbraw/zinc/03/90/97/331039097.db2.gz VFIGIUKCFUMWFA-CABCVRRESA-N 0 3 276.380 2.530 20 30 CFEDHN CN(CC#Cc1ccccc1)[C@@H](CO)CC(C)(C)C ZINC000451777476 331041829 /nfs/dbraw/zinc/04/18/29/331041829.db2.gz BOLWUUQBXQICNB-MRXNPFEDSA-N 0 3 259.393 2.767 20 30 CFEDHN CCO[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC000452038136 331051323 /nfs/dbraw/zinc/05/13/23/331051323.db2.gz CQCPJZYUNBCMLS-IAGOWNOFSA-N 0 3 257.377 2.975 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](CC(C)(C)C)C1 ZINC000452067924 331052753 /nfs/dbraw/zinc/05/27/53/331052753.db2.gz AYRPESACCKMLLF-YOEHRIQHSA-N 0 3 293.455 2.799 20 30 CFEDHN Cc1cccc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000452068130 331052763 /nfs/dbraw/zinc/05/27/63/331052763.db2.gz BCOKVKSWKADNEA-WMLDXEAASA-N 0 3 287.407 2.700 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000452411955 331064256 /nfs/dbraw/zinc/06/42/56/331064256.db2.gz SYSODLBSPYALGH-VHDGCEQUSA-N 0 3 256.349 2.846 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000452777101 331076787 /nfs/dbraw/zinc/07/67/87/331076787.db2.gz UCHJFSCZUJHZQS-FRRDWIJNSA-N 0 3 252.402 2.576 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000453178598 331097754 /nfs/dbraw/zinc/09/77/54/331097754.db2.gz HTNMLSPLULUHIN-PWSUYJOCSA-N 0 3 264.394 2.578 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1CCCN1CCCO)c1ccco1 ZINC000453260417 331108539 /nfs/dbraw/zinc/10/85/39/331108539.db2.gz JGFBKVNOATVMLY-HOTGVXAUSA-N 0 3 292.423 2.723 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453330907 331117682 /nfs/dbraw/zinc/11/76/82/331117682.db2.gz BMDCNKUIBLLHHF-GLQYFDAESA-N 0 3 276.336 2.979 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453341889 331119222 /nfs/dbraw/zinc/11/92/22/331119222.db2.gz DIGPXKRAHFUSTA-KYOSRNDESA-N 0 3 276.336 2.897 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453375387 331124788 /nfs/dbraw/zinc/12/47/88/331124788.db2.gz WUZIKQIQPOUVIE-SWLSCSKDSA-N 0 3 279.355 2.738 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N1CCCN(C(C)C)CC1 ZINC000453442039 331132020 /nfs/dbraw/zinc/13/20/20/331132020.db2.gz LUKOYBAZDRDYEX-UHFFFAOYSA-N 0 3 291.443 2.508 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000453451619 331132390 /nfs/dbraw/zinc/13/23/90/331132390.db2.gz SJKVGMNKCLVSFJ-CQSZACIVSA-N 0 3 291.443 2.506 20 30 CFEDHN C=C(C)CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000454254866 331142928 /nfs/dbraw/zinc/14/29/28/331142928.db2.gz YOFHNQOPPNJQOK-UHFFFAOYSA-N 0 3 275.396 2.514 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000454522375 331147825 /nfs/dbraw/zinc/14/78/25/331147825.db2.gz ZDOFAWDTFDTLFU-KGLIPLIRSA-N 0 3 281.444 2.618 20 30 CFEDHN C=CCC1(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000454637285 331150251 /nfs/dbraw/zinc/15/02/51/331150251.db2.gz FYQZPAYHUKSUML-CABCVRRESA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(CC)CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000454772125 331153137 /nfs/dbraw/zinc/15/31/37/331153137.db2.gz VPDNLBSUDKTXFM-HNNXBMFYSA-N 0 3 289.423 2.772 20 30 CFEDHN C=CCC1(CNC(=O)C2CCN(C)CC2)CCCC1 ZINC000456484591 331193736 /nfs/dbraw/zinc/19/37/36/331193736.db2.gz JSIWFTBFOPHORY-UHFFFAOYSA-N 0 3 264.413 2.581 20 30 CFEDHN N#CCc1cccc(NC(=O)[C@H](C2CC2)N2CCCC2)c1 ZINC000456759364 331200699 /nfs/dbraw/zinc/20/06/99/331200699.db2.gz VUXJJICDOACULA-INIZCTEOSA-N 0 3 283.375 2.566 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CCC1 ZINC000457090886 331212100 /nfs/dbraw/zinc/21/21/00/331212100.db2.gz MGVNVDGQTUQCKC-CQSZACIVSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCC1(NC(=O)NC2CCN(C)CC2)CCCCC1 ZINC000457455223 331223539 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/nfs/dbraw/zinc/26/91/91/331269191.db2.gz JWFUABALEFQAAJ-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN CCN(CCCN[C@H]1CCC[C@@H]1C#N)CC(F)(F)F ZINC000459488562 331284585 /nfs/dbraw/zinc/28/45/85/331284585.db2.gz WXZMNLKBKWCWEP-NEPJUHHUSA-N 0 3 277.334 2.543 20 30 CFEDHN Cn1cc(CNCC(C)(C)CC#N)c(-c2cccnc2)n1 ZINC000459684779 331294355 /nfs/dbraw/zinc/29/43/55/331294355.db2.gz DUKDEOVDWWADBV-UHFFFAOYSA-N 0 3 283.379 2.512 20 30 CFEDHN COc1ccc(CNCC(C)(C)CC#N)cc1[N+](=O)[O-] ZINC000459727265 331296103 /nfs/dbraw/zinc/29/61/03/331296103.db2.gz GCFOLYPAJNZJOS-UHFFFAOYSA-N 0 3 277.324 2.633 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000459792950 331301252 /nfs/dbraw/zinc/30/12/52/331301252.db2.gz KJPNJOYOFSYNRJ-RBUKOAKNSA-N 0 3 283.415 2.911 20 30 CFEDHN C[C@@H](CN(C)CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000459836786 331302465 /nfs/dbraw/zinc/30/24/65/331302465.db2.gz ZSHFBNBLBXUJHL-LBPRGKRZSA-N 0 3 268.401 2.836 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000466050198 331388959 /nfs/dbraw/zinc/38/89/59/331388959.db2.gz NEQHFLBQEOZSHW-LSDHHAIUSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H]1CC)C(C)C ZINC000487829595 331982111 /nfs/dbraw/zinc/98/21/11/331982111.db2.gz DEYSTXTZPDZIPJ-HOTGVXAUSA-N 0 3 293.455 2.879 20 30 CFEDHN C=CCCC[C@H](C)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488749946 332024083 /nfs/dbraw/zinc/02/40/83/332024083.db2.gz SNLXSVZLQBKXKD-HOTGVXAUSA-N 0 3 293.455 2.809 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)[C@@H](C)N1CCCCCC1 ZINC000488878997 332031650 /nfs/dbraw/zinc/03/16/50/332031650.db2.gz RBFQVXAHFOMWLO-CABCVRRESA-N 0 3 264.413 2.818 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000490254037 332085606 /nfs/dbraw/zinc/08/56/06/332085606.db2.gz SQKHPONNQRCRIA-HYVNUMGLSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000490301891 332086179 /nfs/dbraw/zinc/08/61/79/332086179.db2.gz RCDCVPWBWPNPPM-FXUDXRNXSA-N 0 3 293.455 2.713 20 30 CFEDHN CC(C)Cc1ccc([C@@H](CNC(=O)CC#N)N(C)C)cc1 ZINC000490500878 332090046 /nfs/dbraw/zinc/09/00/46/332090046.db2.gz NGRHSWWKVKJTSU-MRXNPFEDSA-N 0 3 287.407 2.518 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000490934552 332130732 /nfs/dbraw/zinc/13/07/32/332130732.db2.gz JGWRCTJFTVWKHZ-CHWSQXEVSA-N 0 3 278.421 2.563 20 30 CFEDHN C#CCN(CCOCCC#N)[C@@H]1CCc2ccccc21 ZINC000491066956 332144536 /nfs/dbraw/zinc/14/45/36/332144536.db2.gz FPOYWMLAKNKJSD-QGZVFWFLSA-N 0 3 268.360 2.539 20 30 CFEDHN C#CCNC(=O)C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000491153910 332157416 /nfs/dbraw/zinc/15/74/16/332157416.db2.gz DSXOOBUYCNEQPF-UHFFFAOYSA-N 0 3 298.430 2.771 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OCC(F)F)cc1 ZINC000491231755 332171107 /nfs/dbraw/zinc/17/11/07/332171107.db2.gz WADAWZBTEGUVBQ-LBPRGKRZSA-N 0 3 253.292 2.832 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491425612 332209014 /nfs/dbraw/zinc/20/90/14/332209014.db2.gz BBULAERKKVERLL-BXUZGUMPSA-N 0 3 285.309 2.562 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1cccc(Cl)c1 ZINC000491633924 332255428 /nfs/dbraw/zinc/25/54/28/332255428.db2.gz QEHYTVSLISHYOQ-UHFFFAOYSA-N 0 3 295.839 2.582 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000491705677 332298949 /nfs/dbraw/zinc/29/89/49/332298949.db2.gz CVZXCDBHCYRUTC-WMLDXEAASA-N 0 3 283.371 2.533 20 30 CFEDHN C#C[C@@H](CC)N[C@H](C)CC(=O)Nc1ccccc1CC ZINC000491708347 332300810 /nfs/dbraw/zinc/30/08/10/332300810.db2.gz ZQLKCVPTQJBWCQ-HIFRSBDPSA-N 0 3 272.392 2.968 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC(F)F)c(F)c1 ZINC000491727280 332310418 /nfs/dbraw/zinc/31/04/18/332310418.db2.gz HAOKJCGZJCRYPJ-SNVBAGLBSA-N 0 3 257.255 2.929 20 30 CFEDHN C#C[C@@H](N[C@H](C)CCn1cccn1)c1ccc(F)cc1 ZINC000491736081 332316367 /nfs/dbraw/zinc/31/63/67/332316367.db2.gz CZVYXJLTDFPQKY-CZUORRHYSA-N 0 3 271.339 2.765 20 30 CFEDHN C#C[C@@H](CCC)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000491741076 332320000 /nfs/dbraw/zinc/32/00/00/332320000.db2.gz ZBHKCIHHHVZLQJ-JKSUJKDBSA-N 0 3 272.392 2.598 20 30 CFEDHN C#CCN(Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000491743858 332322094 /nfs/dbraw/zinc/32/20/94/332322094.db2.gz YHGRTCMQIHVWKW-UHFFFAOYSA-N 0 3 257.362 2.531 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000491779111 332344038 /nfs/dbraw/zinc/34/40/38/332344038.db2.gz YZOWREKMGREMII-LLVKDONJSA-N 0 3 264.756 2.622 20 30 CFEDHN C#CCN(C[C@H]1CC2(CCC2)C(=O)O1)C1CCCCC1 ZINC000491820012 332369979 /nfs/dbraw/zinc/36/99/79/332369979.db2.gz WJEBJPFGOOYFBK-OAHLLOKOSA-N 0 3 275.392 2.740 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccccc2C)CC1 ZINC000492084701 332382078 /nfs/dbraw/zinc/38/20/78/332382078.db2.gz BEYTYALXYLBRJU-KTKRTIGZSA-N 0 3 296.414 2.612 20 30 CFEDHN C=CCC[C@H](NC(=O)/C=C\CN(C)C)c1ccccc1 ZINC000492217812 332387915 /nfs/dbraw/zinc/38/79/15/332387915.db2.gz NOXJFQHHXGLZLX-OVHOFWQVSA-N 0 3 272.392 2.928 20 30 CFEDHN N#CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000492326825 332392650 /nfs/dbraw/zinc/39/26/50/332392650.db2.gz GPBGDHRUWILBMP-INIZCTEOSA-N 0 3 299.374 2.637 20 30 CFEDHN CCC[C@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000248552172 334305790 /nfs/dbraw/zinc/30/57/90/334305790.db2.gz ADJAQIFSNVUWOU-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CCCC1)C(C)C ZINC000503435746 332689492 /nfs/dbraw/zinc/68/94/92/332689492.db2.gz TXFZIHGOFWCNIM-INIZCTEOSA-N 0 3 293.455 2.927 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(CCC)CCC2)CC1 ZINC000176982354 333051744 /nfs/dbraw/zinc/05/17/44/333051744.db2.gz SODHIGOWGFDHGW-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(CCC)CC2)CC1 ZINC000177239909 333055689 /nfs/dbraw/zinc/05/56/89/333055689.db2.gz SRHSNVYFNBMURG-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCN1CCC(NC(=O)C(CCC)CCC)CC1 ZINC000178790313 333077880 /nfs/dbraw/zinc/07/78/80/333077880.db2.gz VWCWAIRDBWGZFW-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN Cc1n[nH]cc1C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000517095451 333092646 /nfs/dbraw/zinc/09/26/46/333092646.db2.gz MRTABPJEOTZVRR-TZMCWYRMSA-N 0 3 258.369 2.590 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)CCCC ZINC000517205513 333094599 /nfs/dbraw/zinc/09/45/99/333094599.db2.gz ZVJLFVWABVSAPV-AWEZNQCLSA-N 0 3 254.418 2.922 20 30 CFEDHN C=CCCCCN1CCN(Cc2c(C)noc2C)CC1 ZINC000517285537 333096905 /nfs/dbraw/zinc/09/69/05/333096905.db2.gz SXIDBDPLXRFMAX-UHFFFAOYSA-N 0 3 277.412 2.765 20 30 CFEDHN C=CCNC(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000183902660 333123420 /nfs/dbraw/zinc/12/34/20/333123420.db2.gz WCXPHROWSQJOTL-INIZCTEOSA-N 0 3 289.423 2.628 20 30 CFEDHN C=CC1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000184545239 333129759 /nfs/dbraw/zinc/12/97/59/333129759.db2.gz OWJWTHWVRGSPEP-UHFFFAOYSA-N 0 3 286.379 2.782 20 30 CFEDHN C[C@H](NCCOCC1CC1)c1ccc(OCC#N)cc1 ZINC000223733040 333211663 /nfs/dbraw/zinc/21/16/63/333211663.db2.gz VQVZUKSPWAHQPC-ZDUSSCGKSA-N 0 3 274.364 2.666 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000173198086 335129391 /nfs/dbraw/zinc/12/93/91/335129391.db2.gz QZDBMOYYNKIIQD-GOEBONIOSA-N 0 3 291.439 2.611 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc3scnc3c2)CC1 ZINC000195382156 333251885 /nfs/dbraw/zinc/25/18/85/333251885.db2.gz QNAAYTQHIMXSNL-UHFFFAOYSA-N 0 3 299.399 2.580 20 30 CFEDHN C=CCOc1ccccc1CNCC(C)(C)CCO ZINC000231402580 333324982 /nfs/dbraw/zinc/32/49/82/333324982.db2.gz VTDHRAGXHUZSLO-UHFFFAOYSA-N 0 3 263.381 2.750 20 30 CFEDHN N#C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000575969460 335136336 /nfs/dbraw/zinc/13/63/36/335136336.db2.gz KSPNUJUJGPUIMT-QGZVFWFLSA-N 0 3 297.402 2.704 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000576117594 335156957 /nfs/dbraw/zinc/15/69/57/335156957.db2.gz PQWXMUATEMRLEL-IVMMDQJWSA-N 0 3 290.382 2.681 20 30 CFEDHN N#CCC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000541024207 333759772 /nfs/dbraw/zinc/75/97/72/333759772.db2.gz LBYHYUBKTHGNDZ-UHFFFAOYSA-N 0 3 269.348 2.563 20 30 CFEDHN COC[C@@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC000543453512 333876116 /nfs/dbraw/zinc/87/61/16/333876116.db2.gz QCZNZCYHPFOQAL-OAHLLOKOSA-N 0 3 265.784 2.952 20 30 CFEDHN CC#CCCN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000545904411 334005379 /nfs/dbraw/zinc/00/53/79/334005379.db2.gz IHJLGVFEYDOSDP-CQSZACIVSA-N 0 3 265.397 2.844 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)s2)CC1 ZINC000075415281 334041568 /nfs/dbraw/zinc/04/15/68/334041568.db2.gz FQHFEQACZWCZNM-UHFFFAOYSA-N 0 3 279.409 2.828 20 30 CFEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2)c1ccncn1 ZINC000546858909 334051976 /nfs/dbraw/zinc/05/19/76/334051976.db2.gz RGGRIAVSRFMWAS-OAHLLOKOSA-N 0 3 277.327 2.845 20 30 CFEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCCC#N)C1 ZINC000133921955 334071349 /nfs/dbraw/zinc/07/13/49/334071349.db2.gz CRKVWYCUPGVDDM-KBPBESRZSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000076385456 334080257 /nfs/dbraw/zinc/08/02/57/334080257.db2.gz IXYJTLKAKMWHQW-PMPSAXMXSA-N 0 3 286.419 2.864 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000076738395 334088339 /nfs/dbraw/zinc/08/83/39/334088339.db2.gz GIZBJJJSBCWDJB-CVEARBPZSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000076738399 334088390 /nfs/dbraw/zinc/08/83/90/334088390.db2.gz GIZBJJJSBCWDJB-HOTGVXAUSA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(C)COCCNCc1ccc2ncccc2c1 ZINC000134505811 334092510 /nfs/dbraw/zinc/09/25/10/334092510.db2.gz KNACKTRFAMWQTP-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000134910356 334108150 /nfs/dbraw/zinc/10/81/50/334108150.db2.gz METXSMOJDWZMQH-KRWDZBQOSA-N 0 3 274.408 2.967 20 30 CFEDHN CC(C)N1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134965107 334109849 /nfs/dbraw/zinc/10/98/49/334109849.db2.gz AGNABRIPFZCEAD-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC)CC2)CC1 ZINC000078355992 334131815 /nfs/dbraw/zinc/13/18/15/334131815.db2.gz ZEWDLLUKPKOVOO-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=C[C@H](CC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000135784944 334138764 /nfs/dbraw/zinc/13/87/64/334138764.db2.gz NBXXNJMJILODGN-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN C#CCN(CCC(=O)NC(C)C)[C@@H]1CCc2ccccc21 ZINC000080002654 334165023 /nfs/dbraw/zinc/16/50/23/334165023.db2.gz LRUFFQRPTQSENN-QGZVFWFLSA-N 0 3 284.403 2.524 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550079875 334212551 /nfs/dbraw/zinc/21/25/51/334212551.db2.gz SGKIQEHAKDNSTP-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN CC[C@H](C)[C@H](C)N(CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000246554115 334264081 /nfs/dbraw/zinc/26/40/81/334264081.db2.gz YNENPJHMNGGZQV-GRDNDAEWSA-N 0 3 293.455 2.940 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000248830478 334319037 /nfs/dbraw/zinc/31/90/37/334319037.db2.gz HIOYCAPDAPZGHK-SCRDCRAPSA-N 0 3 299.374 2.750 20 30 CFEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@H]1O ZINC000249529467 334335897 /nfs/dbraw/zinc/33/58/97/334335897.db2.gz AOFRQEMXRPRZCB-WMLDXEAASA-N 0 3 288.391 2.572 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000249591657 334337615 /nfs/dbraw/zinc/33/76/15/334337615.db2.gz VOUBGUHLFYWPQM-JKSUJKDBSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)CC(C)C ZINC000553362795 334380558 /nfs/dbraw/zinc/38/05/58/334380558.db2.gz MHYJRHZFMTVPNM-HNNXBMFYSA-N 0 3 283.460 2.960 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)C1(N)CCCCC1 ZINC000553975784 334404562 /nfs/dbraw/zinc/40/45/62/334404562.db2.gz NFBSVEIQBMJSEU-UHFFFAOYSA-N 0 3 278.421 2.924 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cn2ccccc2n1 ZINC000556253326 334503694 /nfs/dbraw/zinc/50/36/94/334503694.db2.gz PZOPQQAIORYRGE-CPUCHLNUSA-N 0 3 285.391 2.966 20 30 CFEDHN C[C@H](CNC[C@H](C#N)CCC#N)Cc1cccs1 ZINC000568078157 334790584 /nfs/dbraw/zinc/79/05/84/334790584.db2.gz HTWKYAOSVZWJJA-STQMWFEESA-N 0 3 261.394 2.960 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCc2ccccc21 ZINC000569255162 334863924 /nfs/dbraw/zinc/86/39/24/334863924.db2.gz IHOPEXASBSKTNK-DZGCQCFKSA-N 0 3 253.349 2.750 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)[C@@H]1SC ZINC000573250877 334921533 /nfs/dbraw/zinc/92/15/33/334921533.db2.gz IQECMZIOIDSXPC-OAGGEKHMSA-N 0 3 290.432 2.751 20 30 CFEDHN CN(CCc1ccccn1)Cc1ccc(CC#N)cc1 ZINC000343711928 335217169 /nfs/dbraw/zinc/21/71/69/335217169.db2.gz NGGLFRNJNLWBQM-UHFFFAOYSA-N 0 3 265.360 2.822 20 30 CFEDHN C[C@](C#N)(NC(=O)CN[C@H](c1ccccc1)C1CC1)C1CC1 ZINC000192504687 335266698 /nfs/dbraw/zinc/26/66/98/335266698.db2.gz DQXOORDWHHSTBL-QZTJIDSGSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185640838 335954566 /nfs/dbraw/zinc/95/45/66/335954566.db2.gz SJQPVMLPCKWVPD-QMMMGPOBSA-N 0 3 261.291 2.899 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000194144247 336005200 /nfs/dbraw/zinc/00/52/00/336005200.db2.gz UZBHBXOTLNYOGH-QLFBSQMISA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085669648 782126495 /nfs/dbraw/zinc/12/64/95/782126495.db2.gz DRWZJRAPPIXZOF-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCCC)cc1 ZINC001085757560 782153721 /nfs/dbraw/zinc/15/37/21/782153721.db2.gz KLPOIHOTFKCGCN-KRWDZBQOSA-N 0 3 284.403 2.614 20 30 CFEDHN CCCCCCCC(=O)NCCN1CC[C@H](C)C1 ZINC000744798921 574088854 /nfs/dbraw/zinc/08/88/54/574088854.db2.gz RLJFYOWGLOQZRM-AWEZNQCLSA-N 0 3 254.418 2.805 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@@H]2O)CN1C1CC1 ZINC000329218059 533761123 /nfs/dbraw/zinc/76/11/23/533761123.db2.gz RGNPYPIDRVQGQR-CXTNEJHOSA-N 0 3 280.412 2.509 20 30 CFEDHN COc1cc(CN[C@H](C)C2(OC)CCC2)ccc1C#N ZINC000414527386 533901879 /nfs/dbraw/zinc/90/18/79/533901879.db2.gz QXYBGFYOUDIOLE-GFCCVEGCSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773429 782157626 /nfs/dbraw/zinc/15/76/26/782157626.db2.gz COUPFTPRTCFISW-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(F)c1 ZINC000330259844 534008505 /nfs/dbraw/zinc/00/85/05/534008505.db2.gz NTVVPZBKSRJQKO-LKTVYLICSA-N 0 3 292.354 2.959 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1C#N ZINC000330219281 534008922 /nfs/dbraw/zinc/00/89/22/534008922.db2.gz KAKVEGUNFHGKQN-KNXALSJPSA-N 0 3 299.374 2.692 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)N1CCC[C@@H]1C ZINC000425531523 534078676 /nfs/dbraw/zinc/07/86/76/534078676.db2.gz HPUWBSOHMOKCMO-GJZGRUSLSA-N 0 3 299.418 2.952 20 30 CFEDHN CS[C@H]1CC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000421370741 534117812 /nfs/dbraw/zinc/11/78/12/534117812.db2.gz XETHXVVYUXXPFK-OLZOCXBDSA-N 0 3 250.342 2.681 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191498553 534317969 /nfs/dbraw/zinc/31/79/69/534317969.db2.gz GEPKLXVKIDAWAP-AAEUAGOBSA-N 0 3 265.401 2.534 20 30 CFEDHN O=C(CN[C@@H]1CCO[C@@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000330258290 534338880 /nfs/dbraw/zinc/33/88/80/534338880.db2.gz MIJUNDBDSHHPDY-UKRRQHHQSA-N 0 3 296.317 2.710 20 30 CFEDHN CC(C)CC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000151733243 519631967 /nfs/dbraw/zinc/63/19/67/519631967.db2.gz CGWZIZBEAFMSTL-INIZCTEOSA-N 0 3 299.418 2.891 20 30 CFEDHN CC(C)[C@@H](O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305794327 519800696 /nfs/dbraw/zinc/80/06/96/519800696.db2.gz DQDVSUWXIRQQQS-ABAIWWIYSA-N 0 3 264.344 2.755 20 30 CFEDHN C=C1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268516814 534465305 /nfs/dbraw/zinc/46/53/05/534465305.db2.gz DQYDZICVGFALDW-CQSZACIVSA-N 0 3 286.375 2.560 20 30 CFEDHN CCN(CC(=O)NCc1cccc(C#N)c1)CC(C)(C)C ZINC000361521724 520338418 /nfs/dbraw/zinc/33/84/18/520338418.db2.gz HSTPIYVOGAMOJE-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN CCOC(=O)CCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374310295 520636445 /nfs/dbraw/zinc/63/64/45/520636445.db2.gz LTIBIFMJKLZLFY-UHFFFAOYSA-N 0 3 298.386 2.991 20 30 CFEDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360307309 521630991 /nfs/dbraw/zinc/63/09/91/521630991.db2.gz ARNXSURRUJUSTA-WMLDXEAASA-N 0 3 299.418 2.604 20 30 CFEDHN CCN1CCC[C@@H]1CNc1nccc(C#N)c1Cl ZINC000233489878 521641486 /nfs/dbraw/zinc/64/14/86/521641486.db2.gz NWWRTJINAMKBEI-LLVKDONJSA-N 0 3 264.760 2.503 20 30 CFEDHN CC[C@@H](C)CN(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000361352524 521984414 /nfs/dbraw/zinc/98/44/14/521984414.db2.gz QASYWYOQHSXPHQ-CQSZACIVSA-N 0 3 287.407 2.542 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC(C)(C)C1 ZINC000076014280 522041532 /nfs/dbraw/zinc/04/15/32/522041532.db2.gz BECANLCKEIROGJ-UHFFFAOYSA-N 0 3 274.364 2.678 20 30 CFEDHN CC[C@H](CNc1snc(C)c1C#N)N1CCCC1 ZINC000360966125 522203868 /nfs/dbraw/zinc/20/38/68/522203868.db2.gz MWKQBXXFJDIGET-LLVKDONJSA-N 0 3 264.398 2.610 20 30 CFEDHN COCC1(C)CCN(Cc2ccc(C#N)s2)CC1 ZINC000354794609 522856285 /nfs/dbraw/zinc/85/62/85/522856285.db2.gz PTKWCTZHRRRJPM-UHFFFAOYSA-N 0 3 264.394 2.868 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361468181 523213766 /nfs/dbraw/zinc/21/37/66/523213766.db2.gz ILVGYXWHGHPTGS-KRWDZBQOSA-N 0 3 293.370 2.607 20 30 CFEDHN COCCN(Cc1cc(C#N)n(C)c1)C[C@@H]1CC=CCC1 ZINC000361676226 523740831 /nfs/dbraw/zinc/74/08/31/523740831.db2.gz UVCDFQZTLRCBBB-OAHLLOKOSA-N 0 3 287.407 2.701 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cnn3ccccc23)C1 ZINC000334740685 534749355 /nfs/dbraw/zinc/74/93/55/534749355.db2.gz PQWSHIKTUXWWGS-GXTWGEPZSA-N 0 3 254.337 2.506 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000361746744 523964427 /nfs/dbraw/zinc/96/44/27/523964427.db2.gz AOGNHXFUFGGWSU-GJZGRUSLSA-N 0 3 262.328 2.745 20 30 CFEDHN COc1ccc(CN(C)C[C@@H]2CCCC[C@H]2O)cc1C#N ZINC000305810954 524003582 /nfs/dbraw/zinc/00/35/82/524003582.db2.gz MDYFXBWJTQHVSK-GOEBONIOSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cnccc1C#N ZINC000274192994 524633499 /nfs/dbraw/zinc/63/34/99/524633499.db2.gz RFKLXROOYBVGIR-KBXCAEBGSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)o1 ZINC000246264835 524635510 /nfs/dbraw/zinc/63/55/10/524635510.db2.gz UQJLSLCFPYPFNB-MJBXVCDLSA-N 0 3 275.396 2.607 20 30 CFEDHN Cc1cc(CN2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000336422516 524683666 /nfs/dbraw/zinc/68/36/66/524683666.db2.gz YUHFYUPLJPYQPE-AWEZNQCLSA-N 0 3 257.337 2.614 20 30 CFEDHN C[C@@H]1CN(Cc2cc(C#N)cs2)CCN(C2CC2)C1 ZINC000336222933 524983054 /nfs/dbraw/zinc/98/30/54/524983054.db2.gz WPYDZBXGUWODNG-GFCCVEGCSA-N 0 3 275.421 2.536 20 30 CFEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccco1 ZINC000161727596 525296768 /nfs/dbraw/zinc/29/67/68/525296768.db2.gz LCPDBDNRZRJXCY-ZDUSSCGKSA-N 0 3 296.374 2.866 20 30 CFEDHN CSC1(CNc2snc(C)c2C#N)CCN(C)CC1 ZINC000357562038 525342633 /nfs/dbraw/zinc/34/26/33/525342633.db2.gz XNKIKXCNPYRMOC-UHFFFAOYSA-N 0 3 296.465 2.563 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)[C@@H](O)Cc1ccccc1 ZINC000305182014 525453282 /nfs/dbraw/zinc/45/32/82/525453282.db2.gz HSZNICOZCKJMSX-KSSFIOAISA-N 0 3 280.371 2.640 20 30 CFEDHN Cc1[nH]nc2ncc(CN[C@@H](C)c3ccc(C#N)cc3)cc12 ZINC000339281478 525481373 /nfs/dbraw/zinc/48/13/73/525481373.db2.gz KFKZZZCUWYJXBK-NSHDSACASA-N 0 3 291.358 2.989 20 30 CFEDHN Cc1[nH]nc2ncc(CN[C@H](C)c3ccc(C#N)cc3)cc12 ZINC000339281477 525481400 /nfs/dbraw/zinc/48/14/00/525481400.db2.gz KFKZZZCUWYJXBK-LLVKDONJSA-N 0 3 291.358 2.989 20 30 CFEDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(C#N)cc1Cl ZINC000300423212 525598820 /nfs/dbraw/zinc/59/88/20/525598820.db2.gz OVCWROMOZRHEQL-HZMBPMFUSA-N 0 3 264.756 2.869 20 30 CFEDHN C[C@@H]1c2ccccc2O[C@@H]1CNCc1ccc(C#N)o1 ZINC000365834479 525730074 /nfs/dbraw/zinc/73/00/74/525730074.db2.gz AUVSVWLAGZAHON-BDJLRTHQSA-N 0 3 268.316 2.806 20 30 CFEDHN C[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000245201248 525938683 /nfs/dbraw/zinc/93/86/83/525938683.db2.gz GPXQHIQWSHRJTQ-RBSFLKMASA-N 0 3 299.418 2.778 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCC1 ZINC000061457799 526153868 /nfs/dbraw/zinc/15/38/68/526153868.db2.gz LQLSRDMNMUYYKW-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@H](C1CCC1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000325491964 526214347 /nfs/dbraw/zinc/21/43/47/526214347.db2.gz ASTMMCXCRJCVTB-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN C=CCN1CCC(Nc2ccnc(C)c2Cl)CC1 ZINC000352844533 526415884 /nfs/dbraw/zinc/41/58/84/526415884.db2.gz BTUNBPNWAPITRD-UHFFFAOYSA-N 0 3 265.788 2.528 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](C(C)(C)C)C[C@@H]2C)C1=O ZINC000347599806 526511725 /nfs/dbraw/zinc/51/17/25/526511725.db2.gz MERBXLULSXXMRK-ZNMIVQPWSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000352792384 526542519 /nfs/dbraw/zinc/54/25/19/526542519.db2.gz MBRFFAOUINNIIV-ZBFHGGJFSA-N 0 3 272.392 2.762 20 30 CFEDHN C=CCNC(=O)CN1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000352792381 526542997 /nfs/dbraw/zinc/54/29/97/526542997.db2.gz MBRFFAOUINNIIV-GOEBONIOSA-N 0 3 272.392 2.762 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]([C@H]3CCOC3)C2)ccc1F ZINC000336449719 526549871 /nfs/dbraw/zinc/54/98/71/526549871.db2.gz FCTALLNHARXQFR-KGLIPLIRSA-N 0 3 274.339 2.556 20 30 CFEDHN C=C(C)CN1CCC(NCc2c(C)nn(C)c2Cl)CC1 ZINC000106245654 526603071 /nfs/dbraw/zinc/60/30/71/526603071.db2.gz SXCHUZHQRIJQLB-UHFFFAOYSA-N 0 3 296.846 2.512 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000106245184 526604890 /nfs/dbraw/zinc/60/48/90/526604890.db2.gz WAYRSWFRNIQCBQ-UHFFFAOYSA-N 0 3 290.407 2.531 20 30 CFEDHN N#Cc1ccc(CNCCC2CCOCC2)c(F)c1 ZINC000311504595 526622601 /nfs/dbraw/zinc/62/26/01/526622601.db2.gz QBQVQJNVJLJXHH-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN C=C(C)COCCNCc1cnc(-c2ccncc2)s1 ZINC000344960809 526654067 /nfs/dbraw/zinc/65/40/67/526654067.db2.gz ZQUVQLXUTYIOPT-UHFFFAOYSA-N 0 3 289.404 2.887 20 30 CFEDHN N#Cc1cccc(CN2CCC23CCC(CO)CC3)c1 ZINC000361985083 526703426 /nfs/dbraw/zinc/70/34/26/526703426.db2.gz GFHCPTXXUUVBAC-UHFFFAOYSA-N 0 3 270.376 2.685 20 30 CFEDHN N#Cc1cccc(CNCCn2cnc3ccccc32)c1 ZINC000340405850 526707502 /nfs/dbraw/zinc/70/75/02/526707502.db2.gz UQPPSIXHRAZNRZ-UHFFFAOYSA-N 0 3 276.343 2.698 20 30 CFEDHN Cc1nsc(NC[C@@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000360960766 526714557 /nfs/dbraw/zinc/71/45/57/526714557.db2.gz LVASMEUZFPNKAK-WDEREUQCSA-N 0 3 278.425 2.998 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@]2(CCCOC2)C1 ZINC000336479691 526735768 /nfs/dbraw/zinc/73/57/68/526735768.db2.gz HJCQCDOLOCEPPE-KRWDZBQOSA-N 0 3 270.376 2.951 20 30 CFEDHN N#Cc1cccnc1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000195516066 526754617 /nfs/dbraw/zinc/75/46/17/526754617.db2.gz FBADEDHYOKLIRT-MRXNPFEDSA-N 0 3 292.386 2.887 20 30 CFEDHN N#Cc1ccnc(N[C@@H]2CCN3CCCC[C@H]23)c1Cl ZINC000300264759 526763137 /nfs/dbraw/zinc/76/31/37/526763137.db2.gz FGTZCNBJOCJUIV-VXGBXAGGSA-N 0 3 276.771 2.645 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000336359240 526782087 /nfs/dbraw/zinc/78/20/87/526782087.db2.gz KNFFXXMWZRAAOU-KBPBESRZSA-N 0 3 276.405 2.868 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](CO)CC2)c1 ZINC000354686367 526900241 /nfs/dbraw/zinc/90/02/41/526900241.db2.gz CLFBBXZIBNKRIE-HNNXBMFYSA-N 0 3 275.392 2.846 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H](CC)c2ccccc2)CC1 ZINC000108707878 526924292 /nfs/dbraw/zinc/92/42/92/526924292.db2.gz YJFYDOCGODAFJH-MRXNPFEDSA-N 0 3 298.430 2.642 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H]1CC(=O)OC ZINC000353756986 526932284 /nfs/dbraw/zinc/93/22/84/526932284.db2.gz XPTHDHVWJPFHCD-OAHLLOKOSA-N 0 3 289.375 2.779 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000344663687 526952765 /nfs/dbraw/zinc/95/27/65/526952765.db2.gz IEZCMQBAYFJQSP-HNNXBMFYSA-N 0 3 283.375 2.622 20 30 CFEDHN C=CCCC1(C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000354606021 527088155 /nfs/dbraw/zinc/08/81/55/527088155.db2.gz ZEKQMIDEGPFLHY-CQSZACIVSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](COC)c1cccc(Cl)c1 ZINC000353355952 527190558 /nfs/dbraw/zinc/19/05/58/527190558.db2.gz UDTISBHVOCUJSR-SWLSCSKDSA-N 0 3 283.799 2.802 20 30 CFEDHN C=CCCCN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000350476214 527200804 /nfs/dbraw/zinc/20/08/04/527200804.db2.gz JLIXFNPLRCIZEM-CABCVRRESA-N 0 3 252.402 2.674 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000192122548 527409986 /nfs/dbraw/zinc/40/99/86/527409986.db2.gz YEWZEDGHYVQCKR-UHFFFAOYSA-N 0 3 286.354 2.724 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc2c(c1)nnn2C ZINC000336605992 527605468 /nfs/dbraw/zinc/60/54/68/527605468.db2.gz STJTYFPSRLHQAF-ZDUSSCGKSA-N 0 3 256.353 2.509 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](CC)CC(F)(F)F ZINC000354561488 527635083 /nfs/dbraw/zinc/63/50/83/527635083.db2.gz FVWKYRQWEACMTP-RYUDHWBXSA-N 0 3 292.345 2.896 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[C@H]1C)C(C)C ZINC000347774722 527649518 /nfs/dbraw/zinc/64/95/18/527649518.db2.gz JVDFLTVMUPAQAB-OWCLPIDISA-N 0 3 293.455 2.783 20 30 CFEDHN CC(C)CN(CCc1ccccc1)C(=O)C(C)C#N ZINC000347062685 527941889 /nfs/dbraw/zinc/94/18/89/527941889.db2.gz GMIILECQBUHRTL-CQSZACIVSA-N 0 3 258.365 2.873 20 30 CFEDHN CC(C)C[C@@H](C)Oc1cc(CNC(=O)C(C)C#N)ccn1 ZINC000347116082 528279466 /nfs/dbraw/zinc/27/94/66/528279466.db2.gz RGAWQZKHMGRHEJ-CHWSQXEVSA-N 0 3 289.379 2.671 20 30 CFEDHN CCCNC(=O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187201497 528340486 /nfs/dbraw/zinc/34/04/86/528340486.db2.gz PLDFVKNZLFEGGF-AWEZNQCLSA-N 0 3 299.418 2.857 20 30 CFEDHN CCN(CCCO)Cc1cccc(OCCCC#N)c1 ZINC000353651568 528469556 /nfs/dbraw/zinc/46/95/56/528469556.db2.gz ZYNJUCSOZMGVMO-UHFFFAOYSA-N 0 3 276.380 2.573 20 30 CFEDHN CC(C)C[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347039769 528567237 /nfs/dbraw/zinc/56/72/37/528567237.db2.gz QCPFXDCSTBVXQK-FZMZJTMJSA-N 0 3 284.363 2.926 20 30 CFEDHN CCN(Cc1ccccc1Cl)C(=O)C(C)C#N ZINC000347061173 528839350 /nfs/dbraw/zinc/83/93/50/528839350.db2.gz DIKRCNCETIGFGZ-SNVBAGLBSA-N 0 3 250.729 2.848 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC000330180116 529019073 /nfs/dbraw/zinc/01/90/73/529019073.db2.gz NCMWQVVENDIJDZ-STQMWFEESA-N 0 3 281.400 2.715 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1ncc(C#N)cc1F ZINC000413142460 529274303 /nfs/dbraw/zinc/27/43/03/529274303.db2.gz QVAVPCKXBDUKAZ-CYBMUJFWSA-N 0 3 276.359 2.769 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000444775894 535767963 /nfs/dbraw/zinc/76/79/63/535767963.db2.gz OKMYFNMHOLKGGC-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)[C@H](O)C(F)(F)F ZINC000443983764 535915225 /nfs/dbraw/zinc/91/52/25/535915225.db2.gz FXPOSFZBMKOVSP-STQMWFEESA-N 0 3 286.297 2.658 20 30 CFEDHN CC[C@H](N[C@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000447600805 535945249 /nfs/dbraw/zinc/94/52/49/535945249.db2.gz NSFDOHZCNDUYMX-STQMWFEESA-N 0 3 268.307 2.615 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000452110472 536526556 /nfs/dbraw/zinc/52/65/56/536526556.db2.gz ZESOHMYGHKLYFQ-AWEZNQCLSA-N 0 3 288.391 2.815 20 30 CFEDHN COc1cc(CN2CCC[C@@H]3COCC[C@@H]32)ccc1C#N ZINC000442873930 536754398 /nfs/dbraw/zinc/75/43/98/536754398.db2.gz AIYOLLSLZADMKW-CVEARBPZSA-N 0 3 286.375 2.568 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc2cc[nH]c21 ZINC001085830384 782178296 /nfs/dbraw/zinc/17/82/96/782178296.db2.gz XROULQXYSVQJAO-HNNXBMFYSA-N 0 3 297.402 2.890 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744033835 574049764 /nfs/dbraw/zinc/04/97/64/574049764.db2.gz VUHFBFGHJCGKAU-MFKMUULPSA-N 0 3 292.766 2.677 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744033833 574049922 /nfs/dbraw/zinc/04/99/22/574049922.db2.gz VUHFBFGHJCGKAU-GWCFXTLKSA-N 0 3 292.766 2.677 20 30 CFEDHN COC(=O)C[C@@H](NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000754521514 574099902 /nfs/dbraw/zinc/09/99/02/574099902.db2.gz KXOWPMFEGWPZNQ-OAHLLOKOSA-N 0 3 291.778 2.623 20 30 CFEDHN CCCCCCCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000754866989 574125827 /nfs/dbraw/zinc/12/58/27/574125827.db2.gz UIEZENDAIUBSDK-CQSZACIVSA-N 0 3 269.433 2.740 20 30 CFEDHN N#CCCNC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000731845762 574130232 /nfs/dbraw/zinc/13/02/32/574130232.db2.gz JTMGGYLVLBIHSS-KRWDZBQOSA-N 0 3 285.391 2.537 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000755086440 574137041 /nfs/dbraw/zinc/13/70/41/574137041.db2.gz KYABWLOKJHPYKK-QWHCGFSZSA-N 0 3 293.411 2.573 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000755086434 574137412 /nfs/dbraw/zinc/13/74/12/574137412.db2.gz KYABWLOKJHPYKK-CHWSQXEVSA-N 0 3 293.411 2.573 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000742180012 574145811 /nfs/dbraw/zinc/14/58/11/574145811.db2.gz MWPUOHQHMSWAQE-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1ccc(C)o1 ZINC000747107308 574179981 /nfs/dbraw/zinc/17/99/81/574179981.db2.gz BPDVMEREWUMEIU-CQSZACIVSA-N 0 3 290.363 2.536 20 30 CFEDHN C#CCOc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000733326935 574221400 /nfs/dbraw/zinc/22/14/00/574221400.db2.gz FXPXKWKKQOLWIK-UHFFFAOYSA-N 0 3 267.328 2.694 20 30 CFEDHN CCC1(C(=O)C(C#N)c2nc(C(C)C)cs2)COC1 ZINC000756300148 574222860 /nfs/dbraw/zinc/22/28/60/574222860.db2.gz MIFRZLQTGJEMMM-SNVBAGLBSA-N 0 3 278.377 2.869 20 30 CFEDHN C=CCc1cc(OCC)cc(CN2CCCOCC2)c1O ZINC000748067728 574227250 /nfs/dbraw/zinc/22/72/50/574227250.db2.gz GFBCXQYYRYBIRZ-UHFFFAOYSA-N 0 3 291.391 2.742 20 30 CFEDHN C=CCOCC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000729890828 574235871 /nfs/dbraw/zinc/23/58/71/574235871.db2.gz QQWWOABYAYBLPM-ZDUSSCGKSA-N 0 3 266.300 2.614 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2ccc(C)cc2)CC1 ZINC000729941806 574239730 /nfs/dbraw/zinc/23/97/30/574239730.db2.gz CXHRCAOGALSBTB-UHFFFAOYSA-N 0 3 289.448 2.932 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1ccccn1 ZINC000733679356 574250785 /nfs/dbraw/zinc/25/07/85/574250785.db2.gz YJYULNWJFTYZIQ-IOASZLSFSA-N 0 3 272.348 2.853 20 30 CFEDHN C#CCCN1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000740736503 574264878 /nfs/dbraw/zinc/26/48/78/574264878.db2.gz XBYOPMWXLMNJPP-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN c1cnnc(N=NC2CCCC[C@@H]2N2CCCCC2)c1 ZINC000748788896 574266495 /nfs/dbraw/zinc/26/64/95/574266495.db2.gz WFWHEJHJPRVBSR-AWEZNQCLSA-N 0 3 273.384 2.673 20 30 CFEDHN CCCCCCCCN1CCO[C@@H](CN(C)C)C1 ZINC000740878142 574272244 /nfs/dbraw/zinc/27/22/44/574272244.db2.gz XDUMSTXXIYVDKE-HNNXBMFYSA-N 0 3 256.434 2.609 20 30 CFEDHN C#CCN(CC)CCOc1cccc(Br)c1 ZINC000749155512 574282346 /nfs/dbraw/zinc/28/23/46/574282346.db2.gz UFZWIKRZCVXJIK-UHFFFAOYSA-N 0 3 282.181 2.783 20 30 CFEDHN C[C@@H]1CC(N=Nc2c(F)c(F)nc(F)c2F)CCN1C ZINC000741455368 574290779 /nfs/dbraw/zinc/29/07/79/574290779.db2.gz BRBGGJSRXWZKKQ-ZCFIWIBFSA-N 0 3 290.264 2.520 20 30 CFEDHN C[C@H]1CC(=NNCCCc2ccccc2)CCN1C ZINC000741464564 574291856 /nfs/dbraw/zinc/29/18/56/574291856.db2.gz QXZZHPPQFFJARG-AWEZNQCLSA-N 0 3 259.397 2.679 20 30 CFEDHN CCOc1ccc(/C=N/[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741463440 574291990 /nfs/dbraw/zinc/29/19/90/574291990.db2.gz FQWIDYGFTUPFGL-XWDBZTJWSA-N 0 3 276.380 2.693 20 30 CFEDHN CCOc1ccc(/C=N/[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741463440 574291992 /nfs/dbraw/zinc/29/19/92/574291992.db2.gz FQWIDYGFTUPFGL-XWDBZTJWSA-N 0 3 276.380 2.693 20 30 CFEDHN COc1cccc([O-])c1/C=N\C1CCC(C[NH+](C)C)CC1 ZINC000749582894 574300621 /nfs/dbraw/zinc/30/06/21/574300621.db2.gz QZSIPAIZVJDYBE-WQRHYEAKSA-N 0 3 290.407 2.940 20 30 CFEDHN CC(=NN[C@H](C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000749815189 574310660 /nfs/dbraw/zinc/31/06/60/574310660.db2.gz VOXCDDVDGHUZLS-CQSZACIVSA-N 0 3 289.423 2.761 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000735206496 574316472 /nfs/dbraw/zinc/31/64/72/574316472.db2.gz LDHBVHRAMUAOJL-DJTUGOFGSA-N 0 3 286.331 2.699 20 30 CFEDHN C=CCCC[N@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413683 574322513 /nfs/dbraw/zinc/32/25/13/574322513.db2.gz XHKIJNAFXXRBSS-UHFFFAOYSA-N 0 3 283.379 2.821 20 30 CFEDHN C=CCCC[N@@H+](CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735413683 574322514 /nfs/dbraw/zinc/32/25/14/574322514.db2.gz XHKIJNAFXXRBSS-UHFFFAOYSA-N 0 3 283.379 2.821 20 30 CFEDHN C=CCCC[N@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413683 574322516 /nfs/dbraw/zinc/32/25/16/574322516.db2.gz XHKIJNAFXXRBSS-UHFFFAOYSA-N 0 3 283.379 2.821 20 30 CFEDHN C=CCCC[N@@H+](CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735413683 574322518 /nfs/dbraw/zinc/32/25/18/574322518.db2.gz XHKIJNAFXXRBSS-UHFFFAOYSA-N 0 3 283.379 2.821 20 30 CFEDHN C=CC1CC[NH+]([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402666 574323884 /nfs/dbraw/zinc/32/38/84/574323884.db2.gz FYYKUXRWXFHFIW-GFCCVEGCSA-N 0 3 283.379 2.826 20 30 CFEDHN C=CC1CC[NH+]([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402666 574323885 /nfs/dbraw/zinc/32/38/85/574323885.db2.gz FYYKUXRWXFHFIW-GFCCVEGCSA-N 0 3 283.379 2.826 20 30 CFEDHN N#Cc1ccc(CNCCCOc2ccccc2F)o1 ZINC000742366619 574324605 /nfs/dbraw/zinc/32/46/05/574324605.db2.gz LURBHVPEAOTPTP-UHFFFAOYSA-N 0 3 274.295 2.849 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(NCC#Cc2ccccc2)CC1 ZINC000742371787 574325162 /nfs/dbraw/zinc/32/51/62/574325162.db2.gz DHEWIKZFFZMLSZ-UHFFFAOYSA-N 0 3 298.430 2.665 20 30 CFEDHN C#CCCCNCc1cccc(OC)c1OC(C)C ZINC000742385104 574326427 /nfs/dbraw/zinc/32/64/27/574326427.db2.gz KIIIXJQANIBUED-UHFFFAOYSA-N 0 3 261.365 2.985 20 30 CFEDHN C#CCNC(=O)CN1CCCCC[C@@H]1c1cccc(C)c1 ZINC000735495274 574327536 /nfs/dbraw/zinc/32/75/36/574327536.db2.gz SJSHDFLIGJRCNU-QGZVFWFLSA-N 0 3 284.403 2.662 20 30 CFEDHN C[C@H]1CCCN1CCNc1ncc(C#N)cc1Cl ZINC000742427995 574329757 /nfs/dbraw/zinc/32/97/57/574329757.db2.gz XIDFQTJGTWWYAI-JTQLQIEISA-N 0 3 264.760 2.503 20 30 CFEDHN C=C(Cl)CN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000750185983 574330177 /nfs/dbraw/zinc/33/01/77/574330177.db2.gz ZQIJZXFMBVXCEA-HNNXBMFYSA-N 0 3 264.800 2.945 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3CC3)nc21 ZINC000735791444 574335622 /nfs/dbraw/zinc/33/56/22/574335622.db2.gz YRJPVZCAHNUBMV-LLVKDONJSA-N 0 3 253.305 2.848 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC3CC3)[nH]c21 ZINC000735791444 574335624 /nfs/dbraw/zinc/33/56/24/574335624.db2.gz YRJPVZCAHNUBMV-LLVKDONJSA-N 0 3 253.305 2.848 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C\C1CC1)C(C)C ZINC000742670647 574338757 /nfs/dbraw/zinc/33/87/57/574338757.db2.gz NGAJJTSSXQFTHI-YDZSZYSISA-N 0 3 276.424 2.767 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ncccc2C)c1 ZINC000750685030 574351006 /nfs/dbraw/zinc/35/10/06/574351006.db2.gz ZECOQSFKLHAUQV-AWEZNQCLSA-N 0 3 293.326 2.660 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCCC2)C1 ZINC000743864550 574374932 /nfs/dbraw/zinc/37/49/32/574374932.db2.gz KLXAMIIYPOYJMF-GDBMZVCRSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\SC)C(C)C ZINC000751580117 574379413 /nfs/dbraw/zinc/37/94/13/574379413.db2.gz BXIWAEXPLJASAJ-KOTGUFOOSA-N 0 3 282.453 2.678 20 30 CFEDHN N#Cc1cccc(CNCCNc2ccccc2)c1 ZINC000751886780 574384365 /nfs/dbraw/zinc/38/43/65/574384365.db2.gz FTCHIFVHQJXEEZ-UHFFFAOYSA-N 0 3 251.333 2.760 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000752766876 574394971 /nfs/dbraw/zinc/39/49/71/574394971.db2.gz AHXYZBATRFEYJE-UKRRQHHQSA-N 0 3 298.342 2.501 20 30 CFEDHN C[C@H](C#N)CN(CC1CCC2(CC1)OCCO2)C1CC1 ZINC000753748032 574409639 /nfs/dbraw/zinc/40/96/39/574409639.db2.gz VKEIGFGEUUDTNF-CYBMUJFWSA-N 0 3 278.396 2.544 20 30 CFEDHN C#CCOCCN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000753772753 574410045 /nfs/dbraw/zinc/41/00/45/574410045.db2.gz ZWIIICMEVCUHCL-CQSZACIVSA-N 0 3 291.391 2.784 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823888474 608285300 /nfs/dbraw/zinc/28/53/00/608285300.db2.gz NIQCKNXILFGYCM-MNOVXSKESA-N 0 3 289.358 2.696 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000935703414 649930963 /nfs/dbraw/zinc/93/09/63/649930963.db2.gz DXLDMJVQYGUYHS-SJORKVTESA-N 0 3 297.402 2.535 20 30 CFEDHN CCC[C@@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900470092 620679794 /nfs/dbraw/zinc/67/97/94/620679794.db2.gz PKMOSPQDABRNMX-AWEZNQCLSA-N 0 3 284.363 2.713 20 30 CFEDHN N#CCCCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900574798 620690488 /nfs/dbraw/zinc/69/04/88/620690488.db2.gz UMJWUTOSKKSFPM-UHFFFAOYSA-N 0 3 284.363 2.714 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823888474 608285299 /nfs/dbraw/zinc/28/52/99/608285299.db2.gz NIQCKNXILFGYCM-MNOVXSKESA-N 0 3 289.358 2.696 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900638025 620697652 /nfs/dbraw/zinc/69/76/52/620697652.db2.gz JGHZNKWKGKHAAY-CQSZACIVSA-N 0 3 284.363 2.569 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970935951 612994475 /nfs/dbraw/zinc/99/44/75/612994475.db2.gz APCFKPZYLPOBOR-CABCVRRESA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CCCN(C(=O)CC2CCCCCC2)CC1 ZINC000982039065 613002633 /nfs/dbraw/zinc/00/26/33/613002633.db2.gz YZZMMXIUIJUBJA-UHFFFAOYSA-N 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/nfs/dbraw/zinc/03/17/67/613031767.db2.gz DAUJMBCMSRNXIW-BZUAXINKSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C23CCC(CC2)C3)CC1 ZINC000948554091 613177819 /nfs/dbraw/zinc/17/78/19/613177819.db2.gz QJTCXFWTTTUZPF-PQUAAJSLSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C[C@H]1C ZINC000947666411 613235929 /nfs/dbraw/zinc/23/59/29/613235929.db2.gz FTYGORYKVSTPBZ-CRAIPNDOSA-N 0 3 298.430 2.855 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](C)C1 ZINC000945365917 613256060 /nfs/dbraw/zinc/25/60/60/613256060.db2.gz MTNROCPNFWZNNX-KGLIPLIRSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2CCC)[C@@H](C)C1 ZINC000942431254 613271553 /nfs/dbraw/zinc/27/15/53/613271553.db2.gz LXDHLQHGLOYEFF-YJBOKZPZSA-N 0 3 298.430 2.713 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)oc(C)c2C)C1 ZINC000970102533 613299345 /nfs/dbraw/zinc/29/93/45/613299345.db2.gz VYRCADDCTMHMJQ-GFCCVEGCSA-N 0 3 290.407 2.831 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970308442 613299956 /nfs/dbraw/zinc/29/99/56/613299956.db2.gz DDLUVYXSQBZQTG-CYBMUJFWSA-N 0 3 289.423 2.593 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC000969230796 613300575 /nfs/dbraw/zinc/30/05/75/613300575.db2.gz PRKLKNLXQILMBW-CQSZACIVSA-N 0 3 272.392 2.621 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970903925 613301708 /nfs/dbraw/zinc/30/17/08/613301708.db2.gz KPIFXLCMGVVZGY-SYJJWHGVSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000969663027 613302159 /nfs/dbraw/zinc/30/21/59/613302159.db2.gz FZUCHIGIVHFDPZ-GJZGRUSLSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000970824109 613303159 /nfs/dbraw/zinc/30/31/59/613303159.db2.gz RTASTIYHMBOUDU-ZDUSSCGKSA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC000970521708 613303162 /nfs/dbraw/zinc/30/31/62/613303162.db2.gz LSXQJSNATSJSCA-AWEZNQCLSA-N 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C=C(C)CN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(C)(C)C1 ZINC000973005775 613338239 /nfs/dbraw/zinc/33/82/39/613338239.db2.gz NAGVUALULYHLDX-QXSJWSMHSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975010171 613338242 /nfs/dbraw/zinc/33/82/42/613338242.db2.gz HEDMPMGREJKKDN-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CC1 ZINC000960272423 613350568 /nfs/dbraw/zinc/35/05/68/613350568.db2.gz WRPQNALHKJCZHY-HZPDHXFCSA-N 0 3 284.403 2.734 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)C3(C)CC3)C[C@@H]2C1 ZINC000979738645 613381658 /nfs/dbraw/zinc/38/16/58/613381658.db2.gz AYQADCAZMDGUHG-BFHYXJOUSA-N 0 3 296.842 2.756 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC000981112707 613496222 /nfs/dbraw/zinc/49/62/22/613496222.db2.gz GJEDQJFMALRVOE-UHFFFAOYSA-N 0 3 278.421 2.781 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2cc3cnccc3o2)CC1 ZINC000981555943 613497245 /nfs/dbraw/zinc/49/72/45/613497245.db2.gz FHUYJYHDLIKMME-UHFFFAOYSA-N 0 3 299.374 2.552 20 30 CFEDHN CC#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000968993288 613545460 /nfs/dbraw/zinc/54/54/60/613545460.db2.gz FUEZCVLVMLNNJH-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCCN1C[C@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000974500392 613556302 /nfs/dbraw/zinc/55/63/02/613556302.db2.gz RVTDRQFEIIUPAE-LBPRGKRZSA-N 0 3 296.798 2.949 20 30 CFEDHN CC#CCN1CCC[C@H](N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC000948767482 613559521 /nfs/dbraw/zinc/55/95/21/613559521.db2.gz XIEBSEMPCYCXAJ-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN CC#CCN1CCC[C@H](N(C)C(=O)C2(C)CC=CC2)CC1 ZINC000948747222 613559597 /nfs/dbraw/zinc/55/95/97/613559597.db2.gz RMXKWJJCLNGBLZ-INIZCTEOSA-N 0 3 288.435 2.679 20 30 CFEDHN CC#CCN1CCC[C@H](N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC000948173923 613559831 /nfs/dbraw/zinc/55/98/31/613559831.db2.gz XUGQLHOKHNPBCQ-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN CC#CCN1CCC[C@H](N(C)C(=O)c2ccsc2)CC1 ZINC000948169892 613560707 /nfs/dbraw/zinc/56/07/07/613560707.db2.gz UOPWLXKQTHWIHF-HNNXBMFYSA-N 0 3 290.432 2.698 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)C[C@@H]1C ZINC000947686335 613577238 /nfs/dbraw/zinc/57/72/38/613577238.db2.gz WVZFQIYSFOPNJG-JKSUJKDBSA-N 0 3 290.451 2.949 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000941002465 613577474 /nfs/dbraw/zinc/57/74/74/613577474.db2.gz JCCZBUKQOPXLCQ-OAHLLOKOSA-N 0 3 288.435 2.583 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000947005821 613578017 /nfs/dbraw/zinc/57/80/17/613578017.db2.gz VJLKDGTUPKGSOL-GDBMZVCRSA-N 0 3 276.424 2.559 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H](C)C1 ZINC000944349205 613582631 /nfs/dbraw/zinc/58/26/31/613582631.db2.gz ZDGACTQPKBQOKR-FUHWJXTLSA-N 0 3 298.430 2.767 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@@H](C)C1 ZINC000943988162 613596044 /nfs/dbraw/zinc/59/60/44/613596044.db2.gz NNZLXYZOFAHTKH-GJZGRUSLSA-N 0 3 294.414 2.509 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000947033192 613600944 /nfs/dbraw/zinc/60/09/44/613600944.db2.gz ZZTHEFOLROFPIS-WFASDCNBSA-N 0 3 288.391 2.502 20 30 CFEDHN C=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000980485716 613614978 /nfs/dbraw/zinc/61/49/78/613614978.db2.gz LMDCMMFDGMMYGH-QDIHITRGSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000972231841 613620781 /nfs/dbraw/zinc/62/07/81/613620781.db2.gz KTEFUEOTILBKAI-CQSZACIVSA-N 0 3 292.810 2.981 20 30 CFEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 ZINC000971584696 613621797 /nfs/dbraw/zinc/62/17/97/613621797.db2.gz IWTPDAGKCMTLNY-CYBMUJFWSA-N 0 3 292.810 2.981 20 30 CFEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2csc(C(C)C)n2)C1 ZINC000972555617 613624633 /nfs/dbraw/zinc/62/46/33/613624633.db2.gz QSDHXAMHRVRQIM-GFCCVEGCSA-N 0 3 293.436 2.599 20 30 CFEDHN C=CCN(C)[C@@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC000972157602 613625880 /nfs/dbraw/zinc/62/58/80/613625880.db2.gz DQUMRHKYUPSICQ-CYBMUJFWSA-N 0 3 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/nfs/dbraw/zinc/04/61/13/618046113.db2.gz OWLHSHDXTSWIPI-GFCCVEGCSA-N 0 3 262.309 2.624 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001022851668 618097443 /nfs/dbraw/zinc/09/74/43/618097443.db2.gz UVPNRROQHOXIEM-TXEJJXNPSA-N 0 3 284.812 2.659 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](C)COC)c([O-])c1 ZINC000255563828 618123741 /nfs/dbraw/zinc/12/37/41/618123741.db2.gz VFRMGJFQJUQLDG-GPLLRDDGSA-N 0 3 278.396 2.940 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001023001627 618143229 /nfs/dbraw/zinc/14/32/29/618143229.db2.gz SMBXGCAPARKYSW-BETUJISGSA-N 0 3 296.773 2.737 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@H]1CC1CC1 ZINC000933210916 618170119 /nfs/dbraw/zinc/17/01/19/618170119.db2.gz YGDGOFTYKHHKRC-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1CC1CC1 ZINC000933210914 618170164 /nfs/dbraw/zinc/17/01/64/618170164.db2.gz YGDGOFTYKHHKRC-AWEZNQCLSA-N 0 3 250.386 2.817 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001023259068 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ZINC000895100885 618294939 /nfs/dbraw/zinc/29/49/39/618294939.db2.gz XXRNAFFVLLEMCY-PHIMTYICSA-N 0 3 278.787 2.526 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ncccc1C ZINC001024380814 618302770 /nfs/dbraw/zinc/30/27/70/618302770.db2.gz SGJAEVDDLADOGJ-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024461207 618321527 /nfs/dbraw/zinc/32/15/27/618321527.db2.gz FUEQOIXJOSOXPL-KRWDZBQOSA-N 0 3 286.419 2.832 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](OCC(C)C)C1 ZINC000091964462 618327725 /nfs/dbraw/zinc/32/77/25/618327725.db2.gz PVNWCDFMTHIESX-QGZVFWFLSA-N 0 3 287.403 2.946 20 30 CFEDHN COc1ccccc1OCCN(C)[C@H](C)CCC#N ZINC000411180236 618342609 /nfs/dbraw/zinc/34/26/09/618342609.db2.gz RDSJZBATSNNWBE-CYBMUJFWSA-N 0 3 262.353 2.698 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2ccccn2)OCCc2ccccc21 ZINC000892482026 618360445 /nfs/dbraw/zinc/36/04/45/618360445.db2.gz ATQZCAQCFRUSPC-KSSFIOAISA-N 0 3 292.338 2.746 20 30 CFEDHN C#CCC1(O)CCN(c2ccnc3ccc(OC)cc32)CC1 ZINC000895161512 618409252 /nfs/dbraw/zinc/40/92/52/618409252.db2.gz VAVQPKWCYGQBHC-UHFFFAOYSA-N 0 3 296.370 2.598 20 30 CFEDHN CCCCCCC[C@@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895175176 618432291 /nfs/dbraw/zinc/43/22/91/618432291.db2.gz ICODKNDHLIAPME-NEPJUHHUSA-N 0 3 268.405 2.920 20 30 CFEDHN COC(=O)c1ccc(CNCC2(CC#N)CC2)cc1C ZINC000894197686 618439507 /nfs/dbraw/zinc/43/95/07/618439507.db2.gz MYNUZZODWUSYGT-UHFFFAOYSA-N 0 3 272.348 2.565 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745304 618459354 /nfs/dbraw/zinc/45/93/54/618459354.db2.gz SPYNWOXDBYHZNE-CVEARBPZSA-N 0 3 288.435 2.561 20 30 CFEDHN C#C[C@H](C)NCc1ccc(Br)c(C)c1 ZINC000166389463 618495392 /nfs/dbraw/zinc/49/53/92/618495392.db2.gz IHMUFVHABBMBJI-JTQLQIEISA-N 0 3 252.155 2.869 20 30 CFEDHN COc1cccc(O)c1CNCc1cccc(C#N)c1 ZINC000727466513 618542330 /nfs/dbraw/zinc/54/23/30/618542330.db2.gz XCQSPOGDNVLFAO-UHFFFAOYSA-N 0 3 268.316 2.562 20 30 CFEDHN COc1cccc([O-])c1C[NH2+]Cc1cccc(C#N)c1 ZINC000727466513 618542335 /nfs/dbraw/zinc/54/23/35/618542335.db2.gz XCQSPOGDNVLFAO-UHFFFAOYSA-N 0 3 268.316 2.562 20 30 CFEDHN C=CC[C@H]1CCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895390499 618564096 /nfs/dbraw/zinc/56/40/96/618564096.db2.gz VHCZVKLNAMGHKK-LBPRGKRZSA-N 0 3 277.437 2.607 20 30 CFEDHN C(#Cc1ccccc1)CNCCN1Cc2ccccc2C1 ZINC000892521940 618606879 /nfs/dbraw/zinc/60/68/79/618606879.db2.gz JZUYGAUIJPPCKI-UHFFFAOYSA-N 0 3 276.383 2.644 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001007790705 618858486 /nfs/dbraw/zinc/85/84/86/618858486.db2.gz IANVJBJDKRHTHR-OAHLLOKOSA-N 0 3 299.418 2.729 20 30 CFEDHN CC[C@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930607192 618888275 /nfs/dbraw/zinc/88/82/75/618888275.db2.gz LHRJLNAPUSCZEP-ZFWWWQNUSA-N 0 3 278.783 2.804 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC001006624237 618917408 /nfs/dbraw/zinc/91/74/08/618917408.db2.gz KBSTZFKDQWGMSV-CYBMUJFWSA-N 0 3 278.421 2.909 20 30 CFEDHN COc1ccc(O)c(/C=N/CCN(C)Cc2ccccc2)c1 ZINC000066887663 619006294 /nfs/dbraw/zinc/00/62/94/619006294.db2.gz XNOXWPOWXOBLIF-CPNJWEJPSA-N 0 3 298.386 2.952 20 30 CFEDHN COc1ccc(CN2CCC(C)(C#N)CC2)c(O)c1OC ZINC000893471687 619010843 /nfs/dbraw/zinc/01/08/43/619010843.db2.gz UKVJYJQLJUTBMW-UHFFFAOYSA-N 0 3 290.363 2.535 20 30 CFEDHN C=CC[C@@H](CC)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894234659 619274034 /nfs/dbraw/zinc/27/40/34/619274034.db2.gz WOIRRFXXPAWMAH-LLVKDONJSA-N 0 3 280.324 2.753 20 30 CFEDHN N#C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000928227241 619325829 /nfs/dbraw/zinc/32/58/29/619325829.db2.gz WCWDVAHJLOMTJT-MRXNPFEDSA-N 0 3 297.402 2.658 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1csc(C#N)c1 ZINC000894476574 619395680 /nfs/dbraw/zinc/39/56/80/619395680.db2.gz PVSVKGFSPNWMEP-UHFFFAOYSA-N 0 3 274.393 2.647 20 30 CFEDHN COC(=O)c1sccc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000894692588 619443656 /nfs/dbraw/zinc/44/36/56/619443656.db2.gz WKUVCBQDBZDDLX-JQWIXIFHSA-N 0 3 278.377 2.707 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CCCCC1 ZINC000928433113 619463174 /nfs/dbraw/zinc/46/31/74/619463174.db2.gz LABQEPZSSLWGCB-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C#C[C@H](NC1CCOCC1)c1ccc(Br)cc1 ZINC000894871503 619492525 /nfs/dbraw/zinc/49/25/25/619492525.db2.gz WHZKYZSBNOKKBM-AWEZNQCLSA-N 0 3 294.192 2.892 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000895675613 619579604 /nfs/dbraw/zinc/57/96/04/619579604.db2.gz RZBJKRGABOYKFB-UHFFFAOYSA-N 0 3 299.414 2.750 20 30 CFEDHN C#CC1(NCc2c(CC)nn(C)c2CC)CCCC1 ZINC000895676050 619580344 /nfs/dbraw/zinc/58/03/44/619580344.db2.gz YPRWRLZIGRRKOC-UHFFFAOYSA-N 0 3 259.397 2.581 20 30 CFEDHN C[C@@H]1[C@H](Nc2ncc(C#N)c3ccsc32)CCN1C ZINC000895736501 619597616 /nfs/dbraw/zinc/59/76/16/619597616.db2.gz JUILDARGBQQIOJ-BXKDBHETSA-N 0 3 272.377 2.672 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000895835686 619620135 /nfs/dbraw/zinc/62/01/35/619620135.db2.gz LGLYMQCMXUBDJH-UHFFFAOYSA-N 0 3 288.391 2.548 20 30 CFEDHN COc1cc2c(cc1O)CCN(C[C@@H](C)CCC#N)C2 ZINC000895889684 619628581 /nfs/dbraw/zinc/62/85/81/619628581.db2.gz ZMTQPJMNYJXDAS-LBPRGKRZSA-N 0 3 274.364 2.699 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000895931631 619638273 /nfs/dbraw/zinc/63/82/73/619638273.db2.gz QHEQJYHCOQFVQL-ULQDDVLXSA-N 0 3 255.361 2.585 20 30 CFEDHN C=C(C)CN(C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000182624781 625364181 /nfs/dbraw/zinc/36/41/81/625364181.db2.gz CODRMRAOJSAGIR-UHFFFAOYSA-N 0 3 281.363 2.591 20 30 CFEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000841325565 619715614 /nfs/dbraw/zinc/71/56/14/619715614.db2.gz JITULMFYNYADPR-UHFFFAOYSA-N 0 3 289.379 2.597 20 30 CFEDHN C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)CCO1 ZINC000896583691 619766848 /nfs/dbraw/zinc/76/68/48/619766848.db2.gz FLUAHSFNYPDMSC-OAHLLOKOSA-N 0 3 288.391 2.980 20 30 CFEDHN N#CC1CCC(N[C@H](c2ncccn2)C2CC2)CC1 ZINC000896599037 619772081 /nfs/dbraw/zinc/77/20/81/619772081.db2.gz NSASPHRKZYOFLC-UBHUBRDASA-N 0 3 256.353 2.600 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H]1C[C@H]1C(F)(F)F ZINC000896863026 619848301 /nfs/dbraw/zinc/84/83/01/619848301.db2.gz MUTZZWBBNVVIEO-GXSJLCMTSA-N 0 3 272.245 2.985 20 30 CFEDHN C#CCN(Cc1ccc(OCOCC)cc1)C(C)C ZINC000897170747 619943918 /nfs/dbraw/zinc/94/39/18/619943918.db2.gz GXMIFAOTFOZVDT-UHFFFAOYSA-N 0 3 261.365 2.903 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000925286234 620192774 /nfs/dbraw/zinc/19/27/74/620192774.db2.gz NLNLTYGKJMFBPR-DZGCQCFKSA-N 0 3 285.391 2.710 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCN(c2ccccc2)C1=O ZINC000925286237 620192813 /nfs/dbraw/zinc/19/28/13/620192813.db2.gz NLNLTYGKJMFBPR-HIFRSBDPSA-N 0 3 285.391 2.710 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)C2CCCCCCC2)C1 ZINC000989162795 620235355 /nfs/dbraw/zinc/23/53/55/620235355.db2.gz WYDGCBCXMZUGKC-GDBMZVCRSA-N 0 3 276.424 2.559 20 30 CFEDHN C=C(C)CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897898615 620300789 /nfs/dbraw/zinc/30/07/89/620300789.db2.gz ODLMBQPXBBVHLH-MRXNPFEDSA-N 0 3 290.407 2.817 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H]2C[C@@H]3CCC[C@@H]23)c1 ZINC000897960054 620312581 /nfs/dbraw/zinc/31/25/81/620312581.db2.gz YMKFXMHIRCGHBU-CYZMBNFOSA-N 0 3 261.756 2.885 20 30 CFEDHN C=CCCn1cc(CNCC[C@@H]2CCC(F)(F)C2)nn1 ZINC000898013996 620322603 /nfs/dbraw/zinc/32/26/03/620322603.db2.gz LWGJUOMBGBCOAF-LBPRGKRZSA-N 0 3 284.354 2.769 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc(CCO)cc2)cc1 ZINC000898172616 620343299 /nfs/dbraw/zinc/34/32/99/620343299.db2.gz RXAKBOBZAXDAPG-UHFFFAOYSA-N 0 3 295.382 2.523 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000989500253 620379561 /nfs/dbraw/zinc/37/95/61/620379561.db2.gz IVSIPYPKWNPRSS-OAHLLOKOSA-N 0 3 290.407 2.884 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000989552082 620381140 /nfs/dbraw/zinc/38/11/40/620381140.db2.gz KLBRYPCVFQKTOY-UHFFFAOYSA-N 0 3 294.345 2.689 20 30 CFEDHN C#CCCN1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000989772914 620391868 /nfs/dbraw/zinc/39/18/68/620391868.db2.gz KIQKCPKDNJMMDR-IAGOWNOFSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000989835604 620394058 /nfs/dbraw/zinc/39/40/58/620394058.db2.gz VGNGJWDLBJXCBP-WBVHZDCISA-N 0 3 298.430 2.567 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989921582 620402151 /nfs/dbraw/zinc/40/21/51/620402151.db2.gz IMPMLRQQKKYISS-SJLPKXTDSA-N 0 3 284.403 2.908 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989919260 620402677 /nfs/dbraw/zinc/40/26/77/620402677.db2.gz NFDZZNBIXRDTPG-DOTOQJQBSA-N 0 3 270.376 2.599 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12 ZINC000989948445 620404736 /nfs/dbraw/zinc/40/47/36/620404736.db2.gz MBFVRRPSXZSODN-UKRRQHHQSA-N 0 3 293.798 2.581 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000925328607 620410055 /nfs/dbraw/zinc/41/00/55/620410055.db2.gz KDWAJGVUXLOEFW-ZBFHGGJFSA-N 0 3 299.418 2.705 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cscc3C)CCC[C@@H]12 ZINC000990165190 620411352 /nfs/dbraw/zinc/41/13/52/620411352.db2.gz VWYAKVKQMWNOJW-ZBFHGGJFSA-N 0 3 290.432 2.969 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014550729 620425204 /nfs/dbraw/zinc/42/52/04/620425204.db2.gz NRASSCPTSNVVQQ-CQSZACIVSA-N 0 3 296.370 2.569 20 30 CFEDHN C=CCC[C@@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccco1 ZINC000926946584 620429315 /nfs/dbraw/zinc/42/93/15/620429315.db2.gz GBQWSZILOCDURQ-KQTLUZQSSA-N 0 3 277.364 2.680 20 30 CFEDHN N#Cc1cc(CNCCOC2CCSCC2)cs1 ZINC000898434777 620464158 /nfs/dbraw/zinc/46/41/58/620464158.db2.gz PWRWCJWKVITEQB-UHFFFAOYSA-N 0 3 282.434 2.622 20 30 CFEDHN N#Cc1cccc(CNCCCOc2cccc(F)c2)n1 ZINC000898445871 620466574 /nfs/dbraw/zinc/46/65/74/620466574.db2.gz UVAOGOASCHIMJH-UHFFFAOYSA-N 0 3 285.322 2.651 20 30 CFEDHN CSCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000899379931 620558405 /nfs/dbraw/zinc/55/84/05/620558405.db2.gz DFXQEMXDMAFTRG-SRMXYGTFSA-N 0 3 285.372 2.982 20 30 CFEDHN CSCc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000899379928 620558424 /nfs/dbraw/zinc/55/84/24/620558424.db2.gz DFXQEMXDMAFTRG-BNDQCTAISA-N 0 3 285.372 2.982 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000901568473 620859577 /nfs/dbraw/zinc/85/95/77/620859577.db2.gz XHSOTLIXOBSTGI-UTUOFQBUSA-N 0 3 289.301 2.520 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000901568471 620859651 /nfs/dbraw/zinc/85/96/51/620859651.db2.gz XHSOTLIXOBSTGI-GRYCIOLGSA-N 0 3 289.301 2.520 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@H]12 ZINC000990891422 620868973 /nfs/dbraw/zinc/86/89/73/620868973.db2.gz NREHKXJFPDXVHH-DOTOQJQBSA-N 0 3 299.374 2.674 20 30 CFEDHN C=CCCCN(CC)Cn1cnc(-c2ccccn2)n1 ZINC000902669990 621148543 /nfs/dbraw/zinc/14/85/43/621148543.db2.gz WJKVPXUYPKQQJA-UHFFFAOYSA-N 0 3 271.368 2.586 20 30 CFEDHN C[C@H](Cc1ccco1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902732810 621160391 /nfs/dbraw/zinc/16/03/91/621160391.db2.gz KBGZFECKRDPWGJ-NEPJUHHUSA-N 0 3 255.321 2.828 20 30 CFEDHN C[C@H](NC[C@@H]1Cc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902733975 621160840 /nfs/dbraw/zinc/16/08/40/621160840.db2.gz RVUBZPGJKMHNLG-WFASDCNBSA-N 0 3 279.343 2.608 20 30 CFEDHN CC[C@@H](NC[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000902763110 621162638 /nfs/dbraw/zinc/16/26/38/621162638.db2.gz TUNINZWXRAIXAQ-VXGBXAGGSA-N 0 3 272.270 2.522 20 30 CFEDHN C[C@@H](NCCN(C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902759786 621166504 /nfs/dbraw/zinc/16/65/04/621166504.db2.gz FHBYQWGXYHXJJI-OAHLLOKOSA-N 0 3 294.402 2.736 20 30 CFEDHN C[C@H](N[C@H](CO)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902874360 621194594 /nfs/dbraw/zinc/19/45/94/621194594.db2.gz FFJIMPKIZJCKEP-BLLLJJGKSA-N 0 3 273.380 2.545 20 30 CFEDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902967572 621211220 /nfs/dbraw/zinc/21/12/20/621211220.db2.gz WCTNSOACYVMAHO-PBHICJAKSA-N 0 3 295.386 2.516 20 30 CFEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)c1nccs1 ZINC000902952048 621212821 /nfs/dbraw/zinc/21/28/21/621212821.db2.gz TVIJMQLNEYYGSF-MNOVXSKESA-N 0 3 272.377 2.864 20 30 CFEDHN C[C@H](CN[C@H](C)c1cc(C#N)ccn1)c1nccs1 ZINC000902952047 621213100 /nfs/dbraw/zinc/21/31/00/621213100.db2.gz TVIJMQLNEYYGSF-GHMZBOCLSA-N 0 3 272.377 2.864 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902952078 621213163 /nfs/dbraw/zinc/21/31/63/621213163.db2.gz UICJHFQLVPODAS-MWLCHTKSSA-N 0 3 274.286 2.688 20 30 CFEDHN C[C@H](NCC1(CO)CC2(CCC2)C1)c1cc(C#N)ccn1 ZINC000902975745 621215898 /nfs/dbraw/zinc/21/58/98/621215898.db2.gz JDEGLZBRNVIQNP-ZDUSSCGKSA-N 0 3 285.391 2.547 20 30 CFEDHN CCCn1cc([C@@H](C)NCC2CCC(C#N)CC2)nn1 ZINC000902981104 621217013 /nfs/dbraw/zinc/21/70/13/621217013.db2.gz HUTDVQHWBXWCHV-IYXRBSQSSA-N 0 3 275.400 2.669 20 30 CFEDHN C[C@H](NC[C@@](C)(O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902970800 621220476 /nfs/dbraw/zinc/22/04/76/621220476.db2.gz OQMISSHYHLXTIA-SUMWQHHRSA-N 0 3 287.407 2.935 20 30 CFEDHN Cc1ccc(CCN[C@@H](C)c2cc(C#N)ccn2)nc1 ZINC000903015245 621222028 /nfs/dbraw/zinc/22/20/28/621222028.db2.gz DUSJCWSLDCAQBZ-ZDUSSCGKSA-N 0 3 266.348 2.550 20 30 CFEDHN C[C@@H](Cc1ccccn1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903043603 621232733 /nfs/dbraw/zinc/23/27/33/621232733.db2.gz DCWYGFNZSJCDAL-STQMWFEESA-N 0 3 266.348 2.630 20 30 CFEDHN C[C@H](N[C@H](C1CC1)[C@H]1CCCCO1)c1cc(C#N)ccn1 ZINC000903043367 621233022 /nfs/dbraw/zinc/23/30/22/621233022.db2.gz XEVNUWWFVYTBAA-JCURWCKSSA-N 0 3 285.391 2.952 20 30 CFEDHN CO[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)C1CCCC1 ZINC000903055610 621235666 /nfs/dbraw/zinc/23/56/66/621235666.db2.gz BOPRXULRCBDWEN-LRDDRELGSA-N 0 3 273.380 2.809 20 30 CFEDHN C=CCCSCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903048063 621240904 /nfs/dbraw/zinc/24/09/04/621240904.db2.gz IJDFZCVYPFNFHF-LBPRGKRZSA-N 0 3 261.394 2.913 20 30 CFEDHN C[C@H](NC[C@]1(C)CC1(F)F)c1cc(C#N)ccn1 ZINC000903051358 621242021 /nfs/dbraw/zinc/24/20/21/621242021.db2.gz JRQLAXGBLVBWOW-CABZTGNLSA-N 0 3 251.280 2.649 20 30 CFEDHN C[C@H](N[C@@H]1CC(C)(C)CC[C@H]1O)c1cc(C#N)ccn1 ZINC000903077952 621244175 /nfs/dbraw/zinc/24/41/75/621244175.db2.gz RVNLBODMTIEPNR-NILFDRSVSA-N 0 3 273.380 2.543 20 30 CFEDHN CC1(C)[C@H](NCC2(C#N)CCCC2)[C@H]2CCCO[C@@H]21 ZINC000903109262 621256614 /nfs/dbraw/zinc/25/66/14/621256614.db2.gz LRHZPHYJDREINY-MCIONIFRSA-N 0 3 262.397 2.864 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000903179610 621276461 /nfs/dbraw/zinc/27/64/61/621276461.db2.gz RNUSJJVSMHNGKF-WQVCFCJDSA-N 0 3 275.396 2.677 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2nccc3c2CCCC3)C1 ZINC000903180902 621276668 /nfs/dbraw/zinc/27/66/68/621276668.db2.gz AQPAOWHUAYBGBK-GXTWGEPZSA-N 0 3 255.365 2.742 20 30 CFEDHN C=CCC[C@@H](NCc1cn(C)cn1)[C@@H]1Cc2ccccc2O1 ZINC000903352530 621344718 /nfs/dbraw/zinc/34/47/18/621344718.db2.gz USLNVVMJDYQGHI-AEFFLSMTSA-N 0 3 297.402 2.848 20 30 CFEDHN CC[C@@H](N[C@H]1CCCN(CC)C1=O)c1ccc(C#N)cc1 ZINC000903387671 621359097 /nfs/dbraw/zinc/35/90/97/621359097.db2.gz IDYYPSQXXJFXNG-CVEARBPZSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@H](N[C@@H]1COC[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000903438153 621375321 /nfs/dbraw/zinc/37/53/21/621375321.db2.gz SAWZAXYCHYMXOO-JMPLFQLZSA-N 0 3 274.339 2.773 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000832718369 625493215 /nfs/dbraw/zinc/49/32/15/625493215.db2.gz HHWTUPDWYWBCRC-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN1CCC(NC(=O)N(O)CCCCCC)CC1 ZINC000904168571 621540270 /nfs/dbraw/zinc/54/02/70/621540270.db2.gz GKMASZGXVDRFPF-UHFFFAOYSA-N 0 3 283.416 2.618 20 30 CFEDHN CCCCN([O-])C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000904214596 621555176 /nfs/dbraw/zinc/55/51/76/621555176.db2.gz FKHYZFHBHRPQGC-HUUCEWRRSA-N 0 3 276.380 2.697 20 30 CFEDHN CCCCN([O-])C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000904214596 621555177 /nfs/dbraw/zinc/55/51/77/621555177.db2.gz FKHYZFHBHRPQGC-HUUCEWRRSA-N 0 3 276.380 2.697 20 30 CFEDHN CCCOc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905081849 621691372 /nfs/dbraw/zinc/69/13/72/621691372.db2.gz TXYLRBFCSJCSHE-ZECSTPGPSA-N 0 3 283.331 2.908 20 30 CFEDHN CC1/C(=C/c2ccc(C3(C#N)CC3)cc2)C(=O)c2ncnn21 ZINC000905083442 621692255 /nfs/dbraw/zinc/69/22/55/621692255.db2.gz DHLQJOUQWUVHSL-KSSSLANASA-N 0 3 290.326 2.674 20 30 CFEDHN CC1/C(=C\c2ccc3c(c2)CCCC3)C(=O)c2ncnn21 ZINC000905087797 621693283 /nfs/dbraw/zinc/69/32/83/621693283.db2.gz ZOXGFSJVBWRYBN-ZRRZQRFHSA-N 0 3 279.343 2.998 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@@H](O)CCc2ccccc2)c1 ZINC000905518654 621788579 /nfs/dbraw/zinc/78/85/79/621788579.db2.gz NKWPDXNRSQZQRW-KRWDZBQOSA-N 0 3 298.361 2.781 20 30 CFEDHN CC(C)[C@@H](N)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905838848 621874199 /nfs/dbraw/zinc/87/41/99/621874199.db2.gz OJCIUYXGPFXVRB-CQSZACIVSA-N 0 3 289.770 2.507 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000906592916 622009764 /nfs/dbraw/zinc/00/97/64/622009764.db2.gz QBZBQGBXTOITDF-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907639882 622145254 /nfs/dbraw/zinc/14/52/54/622145254.db2.gz NXEYTDHSDDPYJK-UHFFFAOYSA-N 0 3 271.364 2.939 20 30 CFEDHN CC(C)(CCC#N)CNC(=O)C(C)(C)N1CCCCC1 ZINC000908213893 622205015 /nfs/dbraw/zinc/20/50/15/622205015.db2.gz SLRYDZOMZWEUTR-UHFFFAOYSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000912254065 622673594 /nfs/dbraw/zinc/67/35/94/622673594.db2.gz QFCKJNDMRWWYLX-IUODEOHRSA-N 0 3 276.380 2.556 20 30 CFEDHN Cc1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cc(C)c1C#N ZINC000912284386 622675110 /nfs/dbraw/zinc/67/51/10/622675110.db2.gz QYSRRCMVCNFCDW-HNNXBMFYSA-N 0 3 299.418 2.778 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000912342023 622689878 /nfs/dbraw/zinc/68/98/78/622689878.db2.gz GRIFALSFKBQFFB-RDBSUJKOSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000912443323 622710740 /nfs/dbraw/zinc/71/07/40/622710740.db2.gz XQYGXCZAHKZYHV-HOTGVXAUSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000912440331 622711048 /nfs/dbraw/zinc/71/10/48/622711048.db2.gz GJPXRUKURHIEIC-HOCLYGCPSA-N 0 3 290.407 2.562 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000820874683 622780079 /nfs/dbraw/zinc/78/00/79/622780079.db2.gz RUIVXKDMHYZXSC-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C)C#CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000820889869 622782543 /nfs/dbraw/zinc/78/25/43/622782543.db2.gz VFIXMBRAVQLUOW-QGZVFWFLSA-N 0 3 284.403 2.599 20 30 CFEDHN C[N@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821598974 622952922 /nfs/dbraw/zinc/95/29/22/622952922.db2.gz APCFEWQHGPIVRQ-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821598974 622952925 /nfs/dbraw/zinc/95/29/25/622952925.db2.gz APCFEWQHGPIVRQ-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821598974 622952931 /nfs/dbraw/zinc/95/29/31/622952931.db2.gz APCFEWQHGPIVRQ-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](CCCC(C)(C)C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821598974 622952932 /nfs/dbraw/zinc/95/29/32/622952932.db2.gz APCFEWQHGPIVRQ-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN CCCCCCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000224849882 623017117 /nfs/dbraw/zinc/01/71/17/623017117.db2.gz KGLJVRRFRXAIFD-OAHLLOKOSA-N 0 3 262.397 2.643 20 30 CFEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000170672653 623172435 /nfs/dbraw/zinc/17/24/35/623172435.db2.gz UDSFDHMTNNTFLM-MRXNPFEDSA-N 0 3 298.386 2.695 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@@H]12 ZINC000991862203 623188912 /nfs/dbraw/zinc/18/89/12/623188912.db2.gz QCICWVUQBDVNRE-SJLPKXTDSA-N 0 3 299.418 2.611 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@H]12 ZINC000991862207 623188991 /nfs/dbraw/zinc/18/89/91/623188991.db2.gz QCICWVUQBDVNRE-WMZOPIPTSA-N 0 3 299.418 2.611 20 30 CFEDHN N#CC(C(=O)CCC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000173903719 623374150 /nfs/dbraw/zinc/37/41/50/623374150.db2.gz UBDFLZPOSFAZFH-ZDUSSCGKSA-N 0 3 297.358 2.946 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)CCC(F)(F)F ZINC000173942853 623375906 /nfs/dbraw/zinc/37/59/06/623375906.db2.gz KHAYOOZEIUPIIQ-JTQLQIEISA-N 0 3 292.301 2.734 20 30 CFEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000173959671 623377000 /nfs/dbraw/zinc/37/70/00/623377000.db2.gz NFGGEXDCQNEPLF-BXUZGUMPSA-N 0 3 288.347 2.779 20 30 CFEDHN C=C(Cl)CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000824097840 623450887 /nfs/dbraw/zinc/45/08/87/623450887.db2.gz FFOWLVNIDZAMAD-JTQLQIEISA-N 0 3 287.812 2.536 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC(F)CC3)CCC[C@H]12 ZINC000992152132 623470732 /nfs/dbraw/zinc/47/07/32/623470732.db2.gz LRGRAJUVUFINCJ-NDTCATRNSA-N 0 3 294.414 2.814 20 30 CFEDHN C=CCOCCNCc1cc2cccc(OC)c2o1 ZINC000311957902 623486792 /nfs/dbraw/zinc/48/67/92/623486792.db2.gz OGMDQGHPGJTHRY-UHFFFAOYSA-N 0 3 261.321 2.734 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015105297 623503027 /nfs/dbraw/zinc/50/30/27/623503027.db2.gz ZRGFFXIZTFCSBC-SFHVURJKSA-N 0 3 298.430 2.566 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015105291 623503354 /nfs/dbraw/zinc/50/33/54/623503354.db2.gz ZRGFFXIZTFCSBC-GOSISDBHSA-N 0 3 298.430 2.566 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3csc(C)c3)CCC[C@@H]12 ZINC000992314420 623515524 /nfs/dbraw/zinc/51/55/24/623515524.db2.gz IKEZWXQLHPIDLV-ZBFHGGJFSA-N 0 3 290.432 2.969 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3csc(C)c3)CCC[C@@H]12 ZINC000992314406 623515774 /nfs/dbraw/zinc/51/57/74/623515774.db2.gz IKEZWXQLHPIDLV-GDBMZVCRSA-N 0 3 290.432 2.969 20 30 CFEDHN C#CCN(Cc1cnn2c1CCC2)C1CCCCC1 ZINC000824632669 623535067 /nfs/dbraw/zinc/53/50/67/623535067.db2.gz PEZARUOBSQAQKI-UHFFFAOYSA-N 0 3 257.381 2.597 20 30 CFEDHN CC[C@H]1CCC[C@H](CN2CCC(C#N)(C(=O)OC)CC2)C1 ZINC000824871150 623582673 /nfs/dbraw/zinc/58/26/73/623582673.db2.gz CCKMTSFBTIWBES-GJZGRUSLSA-N 0 3 292.423 2.982 20 30 CFEDHN C#C[C@@H](NCc1ccc(O[C@H]2CCOC2)cc1)C(C)(C)C ZINC000825940220 623772049 /nfs/dbraw/zinc/77/20/49/623772049.db2.gz PWZDSZKFHIGBFY-DLBZAZTESA-N 0 3 287.403 2.992 20 30 CFEDHN O=C(C#CC1CC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000826574046 623816377 /nfs/dbraw/zinc/81/63/77/623816377.db2.gz NEHGQGJWZIEZMZ-GOSISDBHSA-N 0 3 296.414 2.571 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992984151 623827934 /nfs/dbraw/zinc/82/79/34/623827934.db2.gz ROCUSMPRQMEYHB-GDBMZVCRSA-N 0 3 272.392 2.845 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992988260 623831512 /nfs/dbraw/zinc/83/15/12/623831512.db2.gz XBCONILFQXVWOE-RDJZCZTQSA-N 0 3 284.403 2.601 20 30 CFEDHN C=CCCC(C)(C)NC(=O)[C@H]1CCCN1C(C)C ZINC000826656048 623832575 /nfs/dbraw/zinc/83/25/75/623832575.db2.gz XMGPWAVNKAHAGW-CYBMUJFWSA-N 0 3 252.402 2.720 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993072557 623885793 /nfs/dbraw/zinc/88/57/93/623885793.db2.gz QBCCARLFGVAOKL-QWHCGFSZSA-N 0 3 293.436 2.610 20 30 CFEDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC000826861636 623895469 /nfs/dbraw/zinc/89/54/69/623895469.db2.gz IAWWPYLSLOSLJL-ZDUSSCGKSA-N 0 3 274.364 2.917 20 30 CFEDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC000826861636 623895478 /nfs/dbraw/zinc/89/54/78/623895478.db2.gz IAWWPYLSLOSLJL-ZDUSSCGKSA-N 0 3 274.364 2.917 20 30 CFEDHN CCOC(=O)CC(C)(C)CN1CCC[C@@H](CC#N)C1 ZINC000826862001 623896079 /nfs/dbraw/zinc/89/60/79/623896079.db2.gz QQIUDLAOZVIKSU-ZDUSSCGKSA-N 0 3 266.385 2.591 20 30 CFEDHN C[C@@H](CC#N)NN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834965819 623911749 /nfs/dbraw/zinc/91/17/49/623911749.db2.gz WIMKNWMNQAZBEN-NBXCNJMRSA-N 0 3 256.353 2.643 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@H](O)c2ccc(F)cc2)c1 ZINC000915355240 624029913 /nfs/dbraw/zinc/02/99/13/624029913.db2.gz NKFWSVLVNUQSMN-INIZCTEOSA-N 0 3 288.297 2.660 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993209457 624033170 /nfs/dbraw/zinc/03/31/70/624033170.db2.gz ZQNBJZXLNHIFEZ-NVXWUHKLSA-N 0 3 288.435 2.869 20 30 CFEDHN C#C[C@H](NCc1ccc(F)c(Cl)c1)C1CCOCC1 ZINC000827566508 624034692 /nfs/dbraw/zinc/03/46/92/624034692.db2.gz WEFKOMDQKZABEK-HNNXBMFYSA-N 0 3 281.758 2.997 20 30 CFEDHN C#C[C@H](NCc1ccc(C)c(F)c1)C1CCOCC1 ZINC000827570524 624036518 /nfs/dbraw/zinc/03/65/18/624036518.db2.gz NUHMJWPGLIBYIG-INIZCTEOSA-N 0 3 261.340 2.652 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CO)c1cccc(F)c1 ZINC000925423982 624053197 /nfs/dbraw/zinc/05/31/97/624053197.db2.gz SUJZZWOADBBYOG-SMDDNHRTSA-N 0 3 264.344 2.777 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993334395 624115010 /nfs/dbraw/zinc/11/50/10/624115010.db2.gz SQTNOFWKYCRDBI-UKRRQHHQSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993353216 624119678 /nfs/dbraw/zinc/11/96/78/624119678.db2.gz XWEFCECPTNBUKU-HIFRSBDPSA-N 0 3 262.397 2.642 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC000993491957 624149544 /nfs/dbraw/zinc/14/95/44/624149544.db2.gz WLLPCJAUPADIOU-NVXWUHKLSA-N 0 3 286.419 2.774 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993557261 624152067 /nfs/dbraw/zinc/15/20/67/624152067.db2.gz OFHFCJNRRDLLFJ-DOTOQJQBSA-N 0 3 286.419 2.693 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993769757 624167261 /nfs/dbraw/zinc/16/72/61/624167261.db2.gz FCDBWFNDEJBHTM-HUUCEWRRSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2cccc(C)c2)[C@@H]1C ZINC000993775885 624167438 /nfs/dbraw/zinc/16/74/38/624167438.db2.gz MKAOWLUAXUJBFR-DOTOQJQBSA-N 0 3 286.419 2.693 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994257293 624245470 /nfs/dbraw/zinc/24/54/70/624245470.db2.gz ZFVANKLLSIGDFB-QAETUUGQSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC000994333557 624276198 /nfs/dbraw/zinc/27/61/98/624276198.db2.gz WVCACMKCUNVXPI-CZUORRHYSA-N 0 3 290.382 2.523 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994358343 624278476 /nfs/dbraw/zinc/27/84/76/624278476.db2.gz ZZVIZKJMKUENMI-FUHWJXTLSA-N 0 3 298.430 2.909 20 30 CFEDHN CCCCSCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000916895641 624292122 /nfs/dbraw/zinc/29/21/22/624292122.db2.gz OCPMBNSQQXHGEG-ZDUSSCGKSA-N 0 3 296.436 2.677 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001015753453 624293663 /nfs/dbraw/zinc/29/36/63/624293663.db2.gz IBYRQDIAUHXEJH-ARFHVFGLSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994438729 624295772 /nfs/dbraw/zinc/29/57/72/624295772.db2.gz QYARAEMJPBHMEB-DOTOQJQBSA-N 0 3 288.435 2.725 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(C)s2)[C@@H]1C ZINC000994500307 624315697 /nfs/dbraw/zinc/31/56/97/624315697.db2.gz QZHSILLPNHSXTK-DZGCQCFKSA-N 0 3 292.448 2.754 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000829768734 624528746 /nfs/dbraw/zinc/52/87/46/624528746.db2.gz JMQWWRJPPGOHLH-QGZVFWFLSA-N 0 3 288.435 2.728 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2C)C1 ZINC000829774856 624530673 /nfs/dbraw/zinc/53/06/73/624530673.db2.gz VKZHAJQJVOPJQC-QGZVFWFLSA-N 0 3 298.430 2.689 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000829779411 624534949 /nfs/dbraw/zinc/53/49/49/624534949.db2.gz UAYROOROOMDCAP-YZUHTNEWSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000829785073 624536435 /nfs/dbraw/zinc/53/64/35/624536435.db2.gz QIQQQWHNOLTCEQ-GJZGRUSLSA-N 0 3 288.435 2.511 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC000829789290 624539335 /nfs/dbraw/zinc/53/93/35/624539335.db2.gz RJIHQVHDZAUUCY-BRWVUGGUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC000829810511 624549506 /nfs/dbraw/zinc/54/95/06/624549506.db2.gz QPRSXNUJHAHTBR-KBPBESRZSA-N 0 3 265.397 2.842 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000829811090 624550291 /nfs/dbraw/zinc/55/02/91/624550291.db2.gz XXWQMTAYZXXWOJ-WMLDXEAASA-N 0 3 282.387 2.675 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930081256 624580500 /nfs/dbraw/zinc/58/05/00/624580500.db2.gz JCWFKTCBQWIHFJ-NHYWBVRUSA-N 0 3 278.783 2.947 20 30 CFEDHN C#CCN(CC)C[C@@H](O)COc1cccc2ccccc21 ZINC000920094889 624675260 /nfs/dbraw/zinc/67/52/60/624675260.db2.gz JNUOMWXUVXKOOC-MRXNPFEDSA-N 0 3 283.371 2.535 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000830305721 624704489 /nfs/dbraw/zinc/70/44/89/624704489.db2.gz RYHMUGTXHWPMTG-AWEZNQCLSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC1CCN([C@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000830310979 624704874 /nfs/dbraw/zinc/70/48/74/624704874.db2.gz AAERORBUESYHDD-SFHVURJKSA-N 0 3 298.430 2.941 20 30 CFEDHN C#CC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000830326289 624709128 /nfs/dbraw/zinc/70/91/28/624709128.db2.gz IZGMXVQROKAMFW-QGZVFWFLSA-N 0 3 282.387 2.527 20 30 CFEDHN C#CC1CCN(Cc2cccc3nsnc32)CC1 ZINC000830330372 624711169 /nfs/dbraw/zinc/71/11/69/624711169.db2.gz XBCSQRVWPPZHAR-UHFFFAOYSA-N 0 3 257.362 2.537 20 30 CFEDHN C#CCCN1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000920418224 624720945 /nfs/dbraw/zinc/72/09/45/624720945.db2.gz ZEIIDMAFWQMARD-UHFFFAOYSA-N 0 3 270.420 2.951 20 30 CFEDHN C#CCN(C(=O)N[C@H](C)C[C@@H](C)CC)C1CCN(C)CC1 ZINC000920646847 624746044 /nfs/dbraw/zinc/74/60/44/624746044.db2.gz AUYRAETVJPVJMV-LSDHHAIUSA-N 0 3 293.455 2.550 20 30 CFEDHN CN(C)[C@H](C/N=C\c1cccc(O)c1O)c1ccccc1 ZINC000920943376 624785146 /nfs/dbraw/zinc/78/51/46/624785146.db2.gz XAMAFVZFSUTJGX-JQFNYASXSA-N 0 3 284.359 2.820 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000831180870 624968903 /nfs/dbraw/zinc/96/89/03/624968903.db2.gz CIFSVYFJZAGVKR-MRXNPFEDSA-N 0 3 294.345 2.690 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)nc(Cl)c1 ZINC000831678718 625095399 /nfs/dbraw/zinc/09/53/99/625095399.db2.gz FUSRTJSPHLEUDW-ZJUUUORDSA-N 0 3 273.163 2.822 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)nc1 ZINC000834886589 625909452 /nfs/dbraw/zinc/90/94/52/625909452.db2.gz AJKNGBFFUGKHKZ-JLLWLGSASA-N 0 3 252.745 2.729 20 30 CFEDHN C#Cc1cccc(CN[C@H](CC)c2cnn(C)c2)c1 ZINC000834903782 625916739 /nfs/dbraw/zinc/91/67/39/625916739.db2.gz RPHTYJJBZXMAOF-MRXNPFEDSA-N 0 3 253.349 2.642 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)OCCN1CCCCC1 ZINC000770417149 625939293 /nfs/dbraw/zinc/93/92/93/625939293.db2.gz GLXKCBSRNNLWOA-HNNXBMFYSA-N 0 3 298.427 2.987 20 30 CFEDHN CN(C)c1ccccc1CNN=C1CCc2cc(N)ccc21 ZINC000834976476 625941376 /nfs/dbraw/zinc/94/13/76/625941376.db2.gz LLLZBKUMUVUXCU-UHFFFAOYSA-N 0 3 294.402 2.775 20 30 CFEDHN Nc1ccc2c(c1)CCCC2=NNC[C@@H]1CCSC1 ZINC000834980807 625944315 /nfs/dbraw/zinc/94/43/15/625944315.db2.gz UNPMYVIYBLTSIJ-NSHDSACASA-N 0 3 275.421 2.652 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)C2CC(C)(C)C2)CC1 ZINC000997067698 625960639 /nfs/dbraw/zinc/96/06/39/625960639.db2.gz HZWZOIFYPMAOGL-CQSZACIVSA-N 0 3 290.451 2.663 20 30 CFEDHN CCC(=NN[C@H]1CCOC1(C)C)c1cccc(N)c1 ZINC000835022042 625967313 /nfs/dbraw/zinc/96/73/13/625967313.db2.gz VLHBSNWCSJOCMM-AWEZNQCLSA-N 0 3 261.369 2.540 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015987424 625986870 /nfs/dbraw/zinc/98/68/70/625986870.db2.gz IXJHDMBZRDXDQG-KBPBESRZSA-N 0 3 292.448 2.927 20 30 CFEDHN CC(C)C(=O)N1CCC(CNCc2ccccc2C#N)CC1 ZINC000997546588 626006009 /nfs/dbraw/zinc/00/60/09/626006009.db2.gz RICFVSMOIIZXSA-UHFFFAOYSA-N 0 3 299.418 2.542 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997901597 626019594 /nfs/dbraw/zinc/01/95/94/626019594.db2.gz RXMDWEBGVHYIFG-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)c2cccs2)CC1 ZINC000997925024 626023284 /nfs/dbraw/zinc/02/32/84/626023284.db2.gz FFYNQTQCEJGTSL-CQSZACIVSA-N 0 3 290.432 2.698 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccccc2C)CC1 ZINC000997926742 626023433 /nfs/dbraw/zinc/02/34/33/626023433.db2.gz LFSFUOYXYALERE-KRWDZBQOSA-N 0 3 298.430 2.945 20 30 CFEDHN C=CCCCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000851645428 634471567 /nfs/dbraw/zinc/47/15/67/634471567.db2.gz JQIOHUAGRWZJGJ-OAHLLOKOSA-N 0 3 274.364 2.642 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC23CC3)CC1 ZINC000998144948 626033758 /nfs/dbraw/zinc/03/37/58/626033758.db2.gz VSACXDZBVXZFNG-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001000705375 626129871 /nfs/dbraw/zinc/12/98/71/626129871.db2.gz PSXOQBIVJFUFBE-HYVNUMGLSA-N 0 3 286.419 2.523 20 30 CFEDHN COC[C@@H](Cc1ccccc1)NCc1csc(C#N)c1 ZINC000921812489 626137765 /nfs/dbraw/zinc/13/77/65/626137765.db2.gz QRLDBYUCVJTQPH-OAHLLOKOSA-N 0 3 286.400 2.967 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001001124074 626146302 /nfs/dbraw/zinc/14/63/02/626146302.db2.gz BXQGDXIUWZVYFW-JKSUJKDBSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001001143309 626148116 /nfs/dbraw/zinc/14/81/16/626148116.db2.gz FPWPNWCNTQFLCL-AWEZNQCLSA-N 0 3 298.377 2.746 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2sccc2C)CC1 ZINC001001151156 626148321 /nfs/dbraw/zinc/14/83/21/626148321.db2.gz UREGMLLPVIHVRZ-UHFFFAOYSA-N 0 3 290.432 2.522 20 30 CFEDHN C#CCN1CCC(CNC(=O)c2ccccc2CCC)CC1 ZINC001001611935 626161177 /nfs/dbraw/zinc/16/11/77/626161177.db2.gz XKYRUVSMBVGSHI-UHFFFAOYSA-N 0 3 298.430 2.714 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2csc(C)c2)CC1 ZINC001001942059 626166196 /nfs/dbraw/zinc/16/61/96/626166196.db2.gz BRWIBBULHRNLTB-UHFFFAOYSA-N 0 3 290.432 2.522 20 30 CFEDHN C=C(C)CC[NH+]1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001002363530 626175557 /nfs/dbraw/zinc/17/55/57/626175557.db2.gz HCDIRBRLRYORLA-UHFFFAOYSA-N 0 3 288.391 2.553 20 30 CFEDHN C[C@@H](NCc1csc(C#N)c1)[C@H](O)c1ccccc1 ZINC000922135933 626215610 /nfs/dbraw/zinc/21/56/10/626215610.db2.gz SRSNTUFMKWXUTM-ABAIWWIYSA-N 0 3 272.373 2.831 20 30 CFEDHN N#Cc1cc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)cs1 ZINC000922455093 626291219 /nfs/dbraw/zinc/29/12/19/626291219.db2.gz LFVIOXBGCMGGSX-MWLCHTKSSA-N 0 3 290.310 2.819 20 30 CFEDHN CC(C)n1cc(CNC(C)(C)Cc2ccc(C#N)cc2)nn1 ZINC000922603176 626322918 /nfs/dbraw/zinc/32/29/18/626322918.db2.gz HCRIMLCALPDIDZ-UHFFFAOYSA-N 0 3 297.406 2.842 20 30 CFEDHN CCN1CCC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000922638281 626328742 /nfs/dbraw/zinc/32/87/42/626328742.db2.gz DPZQDSSOKMSBAF-MRXNPFEDSA-N 0 3 299.418 2.588 20 30 CFEDHN CCc1noc([C@@H]2CC[C@H](NCc3ccc(C#N)o3)C2)n1 ZINC000922868276 626385339 /nfs/dbraw/zinc/38/53/39/626385339.db2.gz XBBYASZJTBXFHI-MNOVXSKESA-N 0 3 286.335 2.523 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(F)cc2)CC1 ZINC001005047784 626407347 /nfs/dbraw/zinc/40/73/47/626407347.db2.gz FENRLBSQAICHCR-UHFFFAOYSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccc(C)o2)CC1 ZINC001005085712 626409796 /nfs/dbraw/zinc/40/97/96/626409796.db2.gz XKKUGKDOFUBDLB-UHFFFAOYSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001005212941 626412808 /nfs/dbraw/zinc/41/28/08/626412808.db2.gz SQRFJYWPOOVJPX-ZSHCYNCHSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnccc2C)CC1 ZINC001005205318 626412857 /nfs/dbraw/zinc/41/28/57/626412857.db2.gz ILKFAAOFUSUPID-UHFFFAOYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cscc2C)CC1 ZINC001005218740 626412916 /nfs/dbraw/zinc/41/29/16/626412916.db2.gz MPZDLRLEGFVXSY-UHFFFAOYSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)CC2CC(F)(F)C2)CC1 ZINC001005598907 626418304 /nfs/dbraw/zinc/41/83/04/626418304.db2.gz FRWIDLGEDYIYOH-UHFFFAOYSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2c(C)oc(C)c2C)CC1 ZINC001005685733 626419578 /nfs/dbraw/zinc/41/95/78/626419578.db2.gz PMXRXWBKMHIIDF-UHFFFAOYSA-N 0 3 290.407 2.927 20 30 CFEDHN C#CCC1(NCc2cnc(Cl)c(F)c2)CCC1 ZINC000923000011 626440661 /nfs/dbraw/zinc/44/06/61/626440661.db2.gz XFGIRQHJPSKXOL-UHFFFAOYSA-N 0 3 252.720 2.910 20 30 CFEDHN C#CCC1(NCc2ccc(C(=O)OC)cc2F)CCC1 ZINC000922998959 626441279 /nfs/dbraw/zinc/44/12/79/626441279.db2.gz ODDOJRJYGCXPGO-UHFFFAOYSA-N 0 3 275.323 2.648 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000923173326 626454232 /nfs/dbraw/zinc/45/42/32/626454232.db2.gz FCBWOGHDHFJZKE-KBXIAJHMSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)cc(F)c2)CC1 ZINC001006038664 626464464 /nfs/dbraw/zinc/46/44/64/626464464.db2.gz LEUZLJXTGMPWAL-UHFFFAOYSA-N 0 3 290.382 2.857 20 30 CFEDHN CC#CCN1CCC2(C[C@H]2NC(=O)C2CCCCC2)CC1 ZINC001016487130 626481096 /nfs/dbraw/zinc/48/10/96/626481096.db2.gz UZPGMNPMNUGQHF-MRXNPFEDSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016422798 626481186 /nfs/dbraw/zinc/48/11/86/626481186.db2.gz BLRSDBPZSKIXPK-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)C2CCCC2)CC1 ZINC001006274470 626481826 /nfs/dbraw/zinc/48/18/26/626481826.db2.gz MXGKGRADRVRZBN-CQSZACIVSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@]1(C)CC(C)C ZINC000838622586 626502162 /nfs/dbraw/zinc/50/21/62/626502162.db2.gz WJPOJCHZUFROQL-KRWDZBQOSA-N 0 3 293.455 2.552 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cccc2c1CCCC2 ZINC000838624132 626502185 /nfs/dbraw/zinc/50/21/85/626502185.db2.gz IQNBNNUVWCJCJB-UHFFFAOYSA-N 0 3 299.418 2.642 20 30 CFEDHN C=C(C)[C@@H](NC[C@H](O)C1CC1)c1ccc(F)c(F)c1 ZINC000838936965 626516667 /nfs/dbraw/zinc/51/66/67/626516667.db2.gz WLTGFCHWYPAUCA-LSDHHAIUSA-N 0 3 267.319 2.943 20 30 CFEDHN C#CCCOc1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000839141255 626528468 /nfs/dbraw/zinc/52/84/68/626528468.db2.gz NNSZZSRAVRPYJM-UHFFFAOYSA-N 0 3 285.387 2.701 20 30 CFEDHN C=CCOCCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839201940 626532186 /nfs/dbraw/zinc/53/21/86/626532186.db2.gz DPUYYSLBCLUJMR-UHFFFAOYSA-N 0 3 296.798 2.781 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757104498 626545067 /nfs/dbraw/zinc/54/50/67/626545067.db2.gz UJAICDLJDJAKMG-KGLIPLIRSA-N 0 3 280.412 2.635 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@@]12CCN(CCCC#N)C2 ZINC000839678060 626551949 /nfs/dbraw/zinc/55/19/49/626551949.db2.gz YQYZETFHANSHCZ-INIZCTEOSA-N 0 3 293.411 2.766 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(C)CCN1CCCC1 ZINC000758063671 626575076 /nfs/dbraw/zinc/57/50/76/626575076.db2.gz YYSNWMCTHBESLR-HNNXBMFYSA-N 0 3 297.443 2.512 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000758279559 626586751 /nfs/dbraw/zinc/58/67/51/626586751.db2.gz VZFAUZOVIGEPDS-GJZGRUSLSA-N 0 3 297.443 2.510 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ncccc2C)nc(C)n1 ZINC000760198034 626719295 /nfs/dbraw/zinc/71/92/95/626719295.db2.gz PYQKBXVNHABUJF-LMVHVUTASA-N 0 3 292.342 2.687 20 30 CFEDHN Cc1cc(C)c(OCC(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000760341033 626736790 /nfs/dbraw/zinc/73/67/90/626736790.db2.gz QGSHRGQSAPSVHB-AWEZNQCLSA-N 0 3 295.342 2.657 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC(Cc3ccccc3)C2)cc1 ZINC000761059342 626794998 /nfs/dbraw/zinc/79/49/98/626794998.db2.gz FGLLCOUOQJMHCF-IBGZPJMESA-N 0 3 292.382 2.766 20 30 CFEDHN C[C@@H]1CC(N=Nc2ncnc3c4ccccc4oc32)CN1C ZINC000761804847 626859609 /nfs/dbraw/zinc/85/96/09/626859609.db2.gz SRSPOAILHNUBTI-SNVBAGLBSA-N 0 3 295.346 2.868 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(Br)cc2)CN1C ZINC000761804284 626859925 /nfs/dbraw/zinc/85/99/25/626859925.db2.gz NHRQTUSGUMYSEQ-SECBINFHSA-N 0 3 282.185 2.941 20 30 CFEDHN C#CCN(Cc1ccnc(OC)c1)C1CCCCC1 ZINC000762917590 626949892 /nfs/dbraw/zinc/94/98/92/626949892.db2.gz MNKAZHHUDBJZCK-UHFFFAOYSA-N 0 3 258.365 2.858 20 30 CFEDHN COCC#CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000762920475 626950641 /nfs/dbraw/zinc/95/06/41/626950641.db2.gz XXUMLKLHGHGFFU-UHFFFAOYSA-N 0 3 286.419 2.759 20 30 CFEDHN C#CCCCCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000763006539 626954836 /nfs/dbraw/zinc/95/48/36/626954836.db2.gz HLXQHIZOJKJQCF-UHFFFAOYSA-N 0 3 290.451 2.974 20 30 CFEDHN Cc1cc([C@@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)on1 ZINC000763395181 626985239 /nfs/dbraw/zinc/98/52/39/626985239.db2.gz CQPSNSYTFBGDBQ-HOTGVXAUSA-N 0 3 297.358 2.725 20 30 CFEDHN C#CCN(CCN1CCCc2ccccc21)C1CC1 ZINC000763956482 627026294 /nfs/dbraw/zinc/02/62/94/627026294.db2.gz QDCMZATZVUENEE-UHFFFAOYSA-N 0 3 254.377 2.537 20 30 CFEDHN CCC1(CC)[C@H](NC[C@H](C#N)CCC#N)C[C@@H]1OC ZINC000764626783 627077668 /nfs/dbraw/zinc/07/76/68/627077668.db2.gz HYPLUTSHGZQULU-MJBXVCDLSA-N 0 3 263.385 2.613 20 30 CFEDHN C#CCCCCCC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000765193296 627124064 /nfs/dbraw/zinc/12/40/64/627124064.db2.gz MRWKXIVOOQBJLJ-MRXNPFEDSA-N 0 3 276.424 2.703 20 30 CFEDHN COc1ccc2c(c1)nccc2N1CCC(C#N)CC1 ZINC000765482617 627141497 /nfs/dbraw/zinc/14/14/97/627141497.db2.gz PUJQYZIEBDKTRF-UHFFFAOYSA-N 0 3 267.332 2.983 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C[C@@H]1C ZINC000769379591 627431501 /nfs/dbraw/zinc/43/15/01/627431501.db2.gz BWOBNKUTMDXHCQ-LSDHHAIUSA-N 0 3 287.407 2.503 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000769458729 627442369 /nfs/dbraw/zinc/44/23/69/627442369.db2.gz ZJCOTCJZEFXVCC-KGLIPLIRSA-N 0 3 274.364 2.588 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000770287459 627511865 /nfs/dbraw/zinc/51/18/65/627511865.db2.gz XLRWUNBMPUIQAB-IAGOWNOFSA-N 0 3 285.387 2.700 20 30 CFEDHN N#Cc1cc(C(=O)OCCN2CCCCC2)ccc1Cl ZINC000770410142 627520205 /nfs/dbraw/zinc/52/02/05/627520205.db2.gz DKYGREQVBGMKEM-UHFFFAOYSA-N 0 3 292.766 2.854 20 30 CFEDHN C#CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772332035 627702648 /nfs/dbraw/zinc/70/26/48/627702648.db2.gz ORWISARZZRZAGW-UONOGXRCSA-N 0 3 280.412 2.730 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=C2CCSCC2)nc(C)n1 ZINC000772643462 627730302 /nfs/dbraw/zinc/73/03/02/627730302.db2.gz MZGDCMNQTFTVBC-CYBMUJFWSA-N 0 3 287.388 2.723 20 30 CFEDHN N#Cc1ccc(CNCCNc2ccccc2)c(F)c1 ZINC000772928517 627760076 /nfs/dbraw/zinc/76/00/76/627760076.db2.gz IPBFSLKJWMJEJB-UHFFFAOYSA-N 0 3 269.323 2.899 20 30 CFEDHN C#C[C@@H](NCCSc1ccc(F)cc1F)[C@H]1CCCO1 ZINC000851949285 634604737 /nfs/dbraw/zinc/60/47/37/634604737.db2.gz CEHZFDFTIUVDFV-ZIAGYGMSSA-N 0 3 297.370 2.827 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccoc3)nc21 ZINC000774106136 627888156 /nfs/dbraw/zinc/88/81/56/627888156.db2.gz VRUFTVYOWTZDQC-GFCCVEGCSA-N 0 3 279.299 2.883 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000851996562 634621216 /nfs/dbraw/zinc/62/12/16/634621216.db2.gz VYWDVHYKQXLQIN-OWCLPIDISA-N 0 3 271.408 2.774 20 30 CFEDHN CCCCC[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775317064 628008576 /nfs/dbraw/zinc/00/85/76/628008576.db2.gz HLCZHIOMAVMLHL-INIZCTEOSA-N 0 3 287.407 2.927 20 30 CFEDHN C#C[C@@H](NCCc1ccccc1Cl)[C@H]1CCCO1 ZINC000775790028 628068254 /nfs/dbraw/zinc/06/82/54/628068254.db2.gz PFSWRWQTDUOZIK-HUUCEWRRSA-N 0 3 263.768 2.653 20 30 CFEDHN C[C@H](NCc1ccnc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000775830504 628073452 /nfs/dbraw/zinc/07/34/52/628073452.db2.gz KTZLKLLCQNHXSL-ZDUSSCGKSA-N 0 3 280.375 2.870 20 30 CFEDHN C#CCN(CC)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000775971871 628088914 /nfs/dbraw/zinc/08/89/14/628088914.db2.gz GAWHEOYABNHQQL-UHFFFAOYSA-N 0 3 293.794 2.999 20 30 CFEDHN C#CCNC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776006369 628093419 /nfs/dbraw/zinc/09/34/19/628093419.db2.gz MAWYBCDRLXXRQF-SFHVURJKSA-N 0 3 284.403 2.647 20 30 CFEDHN C#C[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCCO1 ZINC000776001989 628093598 /nfs/dbraw/zinc/09/35/98/628093598.db2.gz RLYQECGGOIIORW-UONOGXRCSA-N 0 3 279.767 2.624 20 30 CFEDHN C#C[C@H](NCc1cc(Cl)cc(C)c1O)[C@H]1CCCO1 ZINC000776001989 628093600 /nfs/dbraw/zinc/09/36/00/628093600.db2.gz RLYQECGGOIIORW-UONOGXRCSA-N 0 3 279.767 2.624 20 30 CFEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776608684 628164988 /nfs/dbraw/zinc/16/49/88/628164988.db2.gz DSUYJAHDMPZRQA-QWHCGFSZSA-N 0 3 268.401 2.892 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NOC2CCCCC2)CC1 ZINC000777509268 628231298 /nfs/dbraw/zinc/23/12/98/628231298.db2.gz KKLUPGQZEWMOKQ-UHFFFAOYSA-N 0 3 295.427 2.590 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@]1(C)CCOC1 ZINC000778169867 628282946 /nfs/dbraw/zinc/28/29/46/628282946.db2.gz DWWONTJVLHLCKO-INIZCTEOSA-N 0 3 293.794 2.868 20 30 CFEDHN CCN(C)c1ccc(C(C)=NNCCOC(C)C)cc1 ZINC000778546350 628314111 /nfs/dbraw/zinc/31/41/11/628314111.db2.gz DEXSADGKPJOQLX-UHFFFAOYSA-N 0 3 277.412 2.881 20 30 CFEDHN C#CCOCCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000852096395 634649987 /nfs/dbraw/zinc/64/99/87/634649987.db2.gz BFEZQKOLLOQSJY-UHFFFAOYSA-N 0 3 299.292 2.814 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000852098200 634651977 /nfs/dbraw/zinc/65/19/77/634651977.db2.gz HJHYNRYFHFUQQT-DEQQHWRFSA-N 0 3 278.440 2.707 20 30 CFEDHN C=CCOCC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000779708756 628394893 /nfs/dbraw/zinc/39/48/93/628394893.db2.gz YRRXSNDEMMWEJM-GHRIWEEISA-N 0 3 276.380 2.860 20 30 CFEDHN C#CCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000779742223 628398876 /nfs/dbraw/zinc/39/88/76/628398876.db2.gz MEYJKAIHISYDHA-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000852098810 634652793 /nfs/dbraw/zinc/65/27/93/634652793.db2.gz WUJFAQBOTFIYSQ-HLPPOEQASA-N 0 3 264.413 2.556 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H]1CCCc2ccccc21 ZINC000852099566 634654348 /nfs/dbraw/zinc/65/43/48/634654348.db2.gz MRBNCYLJGZNJNN-WMZOPIPTSA-N 0 3 284.403 2.572 20 30 CFEDHN CC(C)OCCON=Cc1ccc(N(C)C)cc1 ZINC000782309506 628626829 /nfs/dbraw/zinc/62/68/29/628626829.db2.gz ZXZCZPRKAWYHNO-UHFFFAOYSA-N 0 3 250.342 2.528 20 30 CFEDHN CC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)COC1 ZINC000782603239 628647095 /nfs/dbraw/zinc/64/70/95/628647095.db2.gz JPUADWGAXILSSG-VIFPVBQESA-N 0 3 290.319 2.648 20 30 CFEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)cn2)c(O)c1 ZINC000783299825 628698709 /nfs/dbraw/zinc/69/87/09/628698709.db2.gz GCWPFJXADJABQJ-GFCCVEGCSA-N 0 3 267.332 2.818 20 30 CFEDHN C=C(Cl)CNC1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000852180435 634681895 /nfs/dbraw/zinc/68/18/95/634681895.db2.gz OWLPDGZGXPOKTG-UHFFFAOYSA-N 0 3 289.803 2.610 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1COC(C)(C)O1 ZINC000852193031 634684751 /nfs/dbraw/zinc/68/47/51/634684751.db2.gz WPZSROOFAMRFFS-WFASDCNBSA-N 0 3 274.364 2.703 20 30 CFEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nc2ccccc2n1C ZINC000784489903 628821186 /nfs/dbraw/zinc/82/11/86/628821186.db2.gz ZRVHSXGJQYUYTM-GWCFXTLKSA-N 0 3 273.311 2.744 20 30 CFEDHN CC(C)Sc1cccc(Cl)c1C=NNC(=N)N ZINC000786039585 628932030 /nfs/dbraw/zinc/93/20/30/628932030.db2.gz UZZFABPHXXULEF-UHFFFAOYSA-N 0 3 270.789 2.657 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)C#N ZINC000786272358 628946279 /nfs/dbraw/zinc/94/62/79/628946279.db2.gz WIRRWPDYSDDCES-NSHDSACASA-N 0 3 280.331 2.689 20 30 CFEDHN CC(C)[C@H](C)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787066729 628990866 /nfs/dbraw/zinc/99/08/66/628990866.db2.gz OSMOGDWDSPNGMV-ZFWWWQNUSA-N 0 3 286.375 2.646 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788518769 629078543 /nfs/dbraw/zinc/07/85/43/629078543.db2.gz KVFGTMASXVJHFH-NSHDSACASA-N 0 3 296.330 2.899 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000788538910 629080002 /nfs/dbraw/zinc/08/00/02/629080002.db2.gz OXQBYUVTIUUXOS-DLBZAZTESA-N 0 3 284.359 2.999 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000788685062 629092657 /nfs/dbraw/zinc/09/26/57/629092657.db2.gz GDFGNMSZFXPMHZ-LBPRGKRZSA-N 0 3 266.772 2.905 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CC[C@@H](O)C1 ZINC000788971607 629112269 /nfs/dbraw/zinc/11/22/69/629112269.db2.gz PIXRZCBGMSTEBB-QWHCGFSZSA-N 0 3 293.794 2.603 20 30 CFEDHN N#CC1(OC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000805892160 629161531 /nfs/dbraw/zinc/16/15/31/629161531.db2.gz BAIBVPIVXNMAMU-UHFFFAOYSA-N 0 3 284.359 2.885 20 30 CFEDHN C#C[C@@H](CC)OC(=O)c1cccc(CN2CCCC2)c1 ZINC000805917965 629220953 /nfs/dbraw/zinc/22/09/53/629220953.db2.gz FHRLMOYEQLZJFW-INIZCTEOSA-N 0 3 271.360 2.851 20 30 CFEDHN C#CCN(C1CCCCC1)[C@H]1CCCN(C(C)C)C1=O ZINC000790270335 629224581 /nfs/dbraw/zinc/22/45/81/629224581.db2.gz JNOLMINSJIWAGQ-INIZCTEOSA-N 0 3 276.424 2.654 20 30 CFEDHN Cn1ccnc1N=NCc1cccc(OCC(F)(F)F)c1 ZINC000790300535 629227313 /nfs/dbraw/zinc/22/73/13/629227313.db2.gz VIBHTSLZWIOMHV-UHFFFAOYSA-N 0 3 298.268 2.807 20 30 CFEDHN CC(C)COc1ccc(CN=Nc2nccn2C)cc1 ZINC000790300260 629227749 /nfs/dbraw/zinc/22/77/49/629227749.db2.gz QEERLFYCUBXUME-UHFFFAOYSA-N 0 3 272.352 2.901 20 30 CFEDHN COC(=O)/C(C)=C\CNC(C)(C)c1cccc(C#N)c1 ZINC000852353912 634730866 /nfs/dbraw/zinc/73/08/66/634730866.db2.gz JHMDLWMHAVJXME-WQLSENKSSA-N 0 3 272.348 2.502 20 30 CFEDHN C=CCN(CCOC)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000792192536 629407811 /nfs/dbraw/zinc/40/78/11/629407811.db2.gz LOMOSBFJGWCONZ-AWEZNQCLSA-N 0 3 298.427 2.520 20 30 CFEDHN CN(CCO)c1ccc(C=NNCC2(C)CCCC2)cc1 ZINC000793089282 629486435 /nfs/dbraw/zinc/48/64/35/629486435.db2.gz HIIQRUPJLIDPOE-UHFFFAOYSA-N 0 3 289.423 2.619 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccccc1Br ZINC000794574212 629663419 /nfs/dbraw/zinc/66/34/19/629663419.db2.gz BVQXQLIZXLCRJA-ZDUSSCGKSA-N 0 3 296.208 2.826 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000794802486 629687596 /nfs/dbraw/zinc/68/75/96/629687596.db2.gz FZDJXRWRRUJZDF-MAUKXSAKSA-N 0 3 285.387 2.605 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000794802481 629687643 /nfs/dbraw/zinc/68/76/43/629687643.db2.gz FZDJXRWRRUJZDF-CRAIPNDOSA-N 0 3 285.387 2.605 20 30 CFEDHN C[C@H](C#N)OCCNC(C)(C)c1ccccc1F ZINC000795234657 629750048 /nfs/dbraw/zinc/75/00/48/629750048.db2.gz YGAJOIOWMYLWRM-LLVKDONJSA-N 0 3 250.317 2.579 20 30 CFEDHN CC1(CN[C@@H]2CCCCc3cc(C#N)ccc32)OCCO1 ZINC000795813761 629837333 /nfs/dbraw/zinc/83/73/33/629837333.db2.gz ZQRJEWDFUGVTPT-MRXNPFEDSA-N 0 3 286.375 2.678 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796583232 629938199 /nfs/dbraw/zinc/93/81/99/629938199.db2.gz FDKUIRKSMOOJLH-CRAIPNDOSA-N 0 3 298.430 2.566 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H](O)CCC(C)C ZINC000796641766 629944541 /nfs/dbraw/zinc/94/45/41/629944541.db2.gz QXVOTQMMMWAEAK-KRWDZBQOSA-N 0 3 259.393 2.919 20 30 CFEDHN C[C@H]1CN=C(NN=C2CC(C)(C)CCc3ccccc32)N1 ZINC000797786479 630103926 /nfs/dbraw/zinc/10/39/26/630103926.db2.gz YBFJJVGQRPXAJW-LBPRGKRZSA-N 0 3 284.407 2.691 20 30 CFEDHN N#CC(C(=O)CCCC1CCOCC1)c1ccccn1 ZINC000798817522 630241545 /nfs/dbraw/zinc/24/15/45/630241545.db2.gz YUZQDSZOBBQKNH-CQSZACIVSA-N 0 3 272.348 2.855 20 30 CFEDHN COc1ccc(CN2CC[C@@H](c3ccccn3)C2)cc1C#N ZINC000798963190 630265783 /nfs/dbraw/zinc/26/57/83/630265783.db2.gz ZIQQOHYPFGOQIG-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN COc1ccccc1CON=Cc1cnccc1N(C)C ZINC000799119068 630278702 /nfs/dbraw/zinc/27/87/02/630278702.db2.gz GXSREKRKMZPYLE-UHFFFAOYSA-N 0 3 285.347 2.707 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCCCCC)C1=O ZINC000799176422 630283461 /nfs/dbraw/zinc/28/34/61/630283461.db2.gz RUWMCDUPVRGJME-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCCCCC ZINC000852686784 634807872 /nfs/dbraw/zinc/80/78/72/634807872.db2.gz LWPUKMJBVURQDQ-GASCZTMLSA-N 0 3 264.413 2.866 20 30 CFEDHN C#C[C@@H](NCCSC1CCCCC1)[C@@H]1CCCO1 ZINC000800374409 630375263 /nfs/dbraw/zinc/37/52/63/630375263.db2.gz JBOZYZJDIDGJDN-CABCVRRESA-N 0 3 267.438 2.823 20 30 CFEDHN C=C[C@H](CO)NCc1cccc(SC(F)(F)F)c1 ZINC000852714200 634811588 /nfs/dbraw/zinc/81/15/88/634811588.db2.gz FAYWHQZPKRPAPY-SNVBAGLBSA-N 0 3 277.311 2.935 20 30 CFEDHN C[C@@H]1CC(NC(=O)c2ccccc2Oc2ccncc2)=NO1 ZINC000801180711 630432214 /nfs/dbraw/zinc/43/22/14/630432214.db2.gz NNNFQTLUPWARDY-LLVKDONJSA-N 0 3 297.314 2.726 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000801578158 630460098 /nfs/dbraw/zinc/46/00/98/630460098.db2.gz FLMBEOFBNNBQTE-WMZOPIPTSA-N 0 3 271.404 2.814 20 30 CFEDHN C=CCC[C@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000801874388 630483101 /nfs/dbraw/zinc/48/31/01/630483101.db2.gz FBUIHCLMYMSHDM-LBPRGKRZSA-N 0 3 251.370 2.759 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000801910955 630485284 /nfs/dbraw/zinc/48/52/84/630485284.db2.gz QUBINASPQQLXDT-IUODEOHRSA-N 0 3 262.328 2.891 20 30 CFEDHN C[C@@H](C#N)OCCN(C)CCOc1ccccc1Cl ZINC000801909700 630485327 /nfs/dbraw/zinc/48/53/27/630485327.db2.gz FNYMPWCKGZJWRI-LBPRGKRZSA-N 0 3 282.771 2.579 20 30 CFEDHN C=CCN(CCO[C@@H](C)C#N)Cc1ccc(OC)cc1 ZINC000801913090 630486272 /nfs/dbraw/zinc/48/62/72/630486272.db2.gz PGMPQHLQEXLSNZ-AWEZNQCLSA-N 0 3 274.364 2.612 20 30 CFEDHN CC[C@H]1c2ccsc2CCN1CCO[C@H](C)C#N ZINC000801915543 630486565 /nfs/dbraw/zinc/48/65/65/630486565.db2.gz RRBYLNLZWOMVRV-YPMHNXCESA-N 0 3 264.394 2.986 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000801930073 630489994 /nfs/dbraw/zinc/48/99/94/630489994.db2.gz DLUQGDJRJDNSOY-KGLIPLIRSA-N 0 3 299.374 2.936 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000801930075 630490272 /nfs/dbraw/zinc/49/02/72/630490272.db2.gz DLUQGDJRJDNSOY-ZIAGYGMSSA-N 0 3 299.374 2.936 20 30 CFEDHN C[C@H](C#N)OCCN[C@H](C)c1ccccc1OC(F)F ZINC000801937574 630491704 /nfs/dbraw/zinc/49/17/04/630491704.db2.gz QBVGTRUEFSDMOB-GHMZBOCLSA-N 0 3 284.306 2.867 20 30 CFEDHN CC[C@H](NCCO[C@@H](C)C#N)c1ccc(F)cc1F ZINC000801938712 630492289 /nfs/dbraw/zinc/49/22/89/630492289.db2.gz HZJYZIGRZTVOBF-HZMBPMFUSA-N 0 3 268.307 2.934 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(CCO[C@@H](C)C#N)[C@@H]2C ZINC000801938788 630492365 /nfs/dbraw/zinc/49/23/65/630492365.db2.gz LSBURBGCUFZHFP-MELADBBJSA-N 0 3 288.391 2.931 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(c2ccsc2)CC1 ZINC000801944104 630493528 /nfs/dbraw/zinc/49/35/28/630493528.db2.gz OSHVIZRNRFMYOV-LBPRGKRZSA-N 0 3 264.394 2.856 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000801950402 630494553 /nfs/dbraw/zinc/49/45/53/630494553.db2.gz VMCOWRHQABDXLH-WDEREUQCSA-N 0 3 278.318 2.825 20 30 CFEDHN C=C(C)CN(CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000801952343 630495164 /nfs/dbraw/zinc/49/51/64/630495164.db2.gz UDEYUVLETLTYAQ-HNNXBMFYSA-N 0 3 258.365 2.993 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@@H]3C(F)F)nc21 ZINC000802087829 630501564 /nfs/dbraw/zinc/50/15/64/630501564.db2.gz FSRGNBXCQBOWCJ-GUBZILKMSA-N 0 3 289.285 2.949 20 30 CFEDHN C#CCCN(CCOC)C[C@@]1(C)CC1(Cl)Cl ZINC000852750462 634825012 /nfs/dbraw/zinc/82/50/12/634825012.db2.gz VWIHZGUNJIOUNF-LLVKDONJSA-N 0 3 264.196 2.542 20 30 CFEDHN C=CCOCCN[C@H]1CCc2nc(Cl)ccc21 ZINC000806159178 630777244 /nfs/dbraw/zinc/77/72/44/630777244.db2.gz ZIDVSQQQAQXHNC-NSHDSACASA-N 0 3 252.745 2.515 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000807989658 630932178 /nfs/dbraw/zinc/93/21/78/630932178.db2.gz MXRHWNJQBQCKPS-NSHDSACASA-N 0 3 288.351 2.785 20 30 CFEDHN CC(C)N1CC(N=Nc2nccnc2C2CCC2)[C@H](C)C1 ZINC000807994263 630934085 /nfs/dbraw/zinc/93/40/85/630934085.db2.gz MJQNKCGVJKTUAA-GFCCVEGCSA-N 0 3 287.411 2.872 20 30 CFEDHN C1C[C@H](NN=C2CCCC[C@@H]2N2CCCCC2)CS1 ZINC000808000586 630936712 /nfs/dbraw/zinc/93/67/12/630936712.db2.gz QQGYDLCOJMUBOZ-ZFWWWQNUSA-N 0 3 281.469 2.866 20 30 CFEDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)CCC#N ZINC000808429279 630991020 /nfs/dbraw/zinc/99/10/20/630991020.db2.gz HQEWMUZYLIWIDU-UHFFFAOYSA-N 0 3 262.353 2.820 20 30 CFEDHN C#CCOc1ccc(CN[C@H](C)c2ccnc(OC)c2)cc1 ZINC000808432250 630991518 /nfs/dbraw/zinc/99/15/18/630991518.db2.gz HICZNOBSQSBOHF-CQSZACIVSA-N 0 3 296.370 2.953 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)C(=O)C#CC(C)(C)C ZINC000837373842 631015893 /nfs/dbraw/zinc/01/58/93/631015893.db2.gz ZNHBPKUGUCULAM-UHFFFAOYSA-N 0 3 286.419 2.626 20 30 CFEDHN CN1CCC(N(Cc2ccccc2)C(=O)C#CC2CC2)CC1 ZINC000837455667 631034978 /nfs/dbraw/zinc/03/49/78/631034978.db2.gz NDAFMYLGIQIMFO-UHFFFAOYSA-N 0 3 296.414 2.523 20 30 CFEDHN CC(C)C(=O)CCN(C)CCOCc1ccc(C#N)cc1 ZINC000808787273 631048111 /nfs/dbraw/zinc/04/81/11/631048111.db2.gz POFBNVJFYJOWHK-UHFFFAOYSA-N 0 3 288.391 2.622 20 30 CFEDHN N#CC(C(=O)CCc1ccco1)c1nc2ccccc2[nH]1 ZINC000041495611 649991701 /nfs/dbraw/zinc/99/17/01/649991701.db2.gz BXJHANRHKBSVPX-GFCCVEGCSA-N 0 3 279.299 2.965 20 30 CFEDHN C#C[C@@H](NCc1ccnn1-c1ccc(F)cc1)C(C)C ZINC000809685258 631261472 /nfs/dbraw/zinc/26/14/72/631261472.db2.gz JZXVDULEWUNCAD-MRXNPFEDSA-N 0 3 271.339 2.759 20 30 CFEDHN C#C[C@@H](C)NCc1c[nH]nc1-c1cccc(Cl)c1 ZINC000809684096 631261789 /nfs/dbraw/zinc/26/17/89/631261789.db2.gz NHYVGPFHOVLTDA-SNVBAGLBSA-N 0 3 259.740 2.841 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000809683854 631261844 /nfs/dbraw/zinc/26/18/44/631261844.db2.gz IARHTSVGGKJVNP-CYBMUJFWSA-N 0 3 261.365 2.841 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000809698126 631266936 /nfs/dbraw/zinc/26/69/36/631266936.db2.gz WFEGADCTPDVODC-LSDHHAIUSA-N 0 3 287.407 2.503 20 30 CFEDHN COc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1C#N ZINC000840962978 631285838 /nfs/dbraw/zinc/28/58/38/631285838.db2.gz PBEMYZIHSSFSAI-ZIAGYGMSSA-N 0 3 262.328 2.937 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000810037484 631317833 /nfs/dbraw/zinc/31/78/33/631317833.db2.gz PXWODKIFJMJDFL-CQSZACIVSA-N 0 3 266.385 2.696 20 30 CFEDHN N#CC(C(=O)[C@H]1CCCSC1)c1nc2ccccc2[nH]1 ZINC000810519190 631380517 /nfs/dbraw/zinc/38/05/17/631380517.db2.gz AKRVYNXGSOVBOI-WDEREUQCSA-N 0 3 285.372 2.882 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NNCCc1ccncc1 ZINC000841635834 631439913 /nfs/dbraw/zinc/43/99/13/631439913.db2.gz BRWTUWXWOYTIPY-UHFFFAOYSA-N 0 3 282.391 2.622 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN1CCC[C@H]1CO ZINC000841661217 631445872 /nfs/dbraw/zinc/44/58/72/631445872.db2.gz LMIXOFUBJKFARJ-PMDJFSPESA-N 0 3 299.418 2.740 20 30 CFEDHN CC[C@H](O)CNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000811653051 631594030 /nfs/dbraw/zinc/59/40/30/631594030.db2.gz FLESMSVGMHKYRF-NZORMZDDSA-N 0 3 287.407 2.644 20 30 CFEDHN CCN(CCO)N=C(C)c1ccc(N2CCCCC2)cc1 ZINC000842534305 631655430 /nfs/dbraw/zinc/65/54/30/631655430.db2.gz MGVFYVHLVDMLFC-UHFFFAOYSA-N 0 3 289.423 2.715 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(CO)cc2)cc1 ZINC000842732137 631720577 /nfs/dbraw/zinc/72/05/77/631720577.db2.gz ISNDQRQXICTQCZ-CQSZACIVSA-N 0 3 296.370 2.760 20 30 CFEDHN N#CCc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000842886593 631773620 /nfs/dbraw/zinc/77/36/20/631773620.db2.gz FUBCJFGFNOMWAZ-HNNXBMFYSA-N 0 3 266.348 2.643 20 30 CFEDHN COC1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCC1 ZINC000813211905 631881096 /nfs/dbraw/zinc/88/10/96/631881096.db2.gz SSUGYVTULURNSR-SNVBAGLBSA-N 0 3 298.264 2.846 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@@]1(O)CCc2ccccc21 ZINC000843420264 631949801 /nfs/dbraw/zinc/94/98/01/631949801.db2.gz AIRQXOKVHARUTI-KRWDZBQOSA-N 0 3 298.411 2.886 20 30 CFEDHN C#CC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000843424693 631953481 /nfs/dbraw/zinc/95/34/81/631953481.db2.gz ZBORTDHBTIOYGL-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000843424693 631953483 /nfs/dbraw/zinc/95/34/83/631953483.db2.gz ZBORTDHBTIOYGL-ZDUSSCGKSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC1CCN(Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000843427305 631955534 /nfs/dbraw/zinc/95/55/34/631955534.db2.gz ZDSUUUHKJVVXPX-UHFFFAOYSA-N 0 3 295.386 2.726 20 30 CFEDHN C#CCOc1ccccc1CN(CC)CCSC ZINC000843437355 631959608 /nfs/dbraw/zinc/95/96/08/631959608.db2.gz DUPOLYJRTOXYDL-UHFFFAOYSA-N 0 3 263.406 2.884 20 30 CFEDHN CCc1ccc(C#CC(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000814490681 632076876 /nfs/dbraw/zinc/07/68/76/632076876.db2.gz NSUGEGHWMZDIGJ-MRXNPFEDSA-N 0 3 298.430 2.591 20 30 CFEDHN C#CCCCN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000844364516 632180555 /nfs/dbraw/zinc/18/05/55/632180555.db2.gz TYATWZZIWUAYTM-CHWSQXEVSA-N 0 3 251.370 2.594 20 30 CFEDHN C=CCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844370219 632183604 /nfs/dbraw/zinc/18/36/04/632183604.db2.gz FTDIQOFYFNYTED-AWEZNQCLSA-N 0 3 251.757 2.809 20 30 CFEDHN COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1F ZINC000815010222 632187761 /nfs/dbraw/zinc/18/77/61/632187761.db2.gz PXHQJIUOSUSLNV-YPMHNXCESA-N 0 3 262.328 2.958 20 30 CFEDHN CCCCCCC[C@@H](C)CNCc1cnn(C)n1 ZINC000815117740 632205729 /nfs/dbraw/zinc/20/57/29/632205729.db2.gz UMPRNHXDCBANBU-CYBMUJFWSA-N 0 3 252.406 2.901 20 30 CFEDHN C=CCC(F)(F)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000815510123 632284545 /nfs/dbraw/zinc/28/45/45/632284545.db2.gz KKUPEKGBSOBFDV-VXGBXAGGSA-N 0 3 274.355 2.577 20 30 CFEDHN C=CCC(F)(F)C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000815541667 632287575 /nfs/dbraw/zinc/28/75/75/632287575.db2.gz KULHVOZNRSXIFW-ZDUSSCGKSA-N 0 3 294.345 2.717 20 30 CFEDHN COc1cccc(CNCc2ccc(C#N)cc2F)c1O ZINC000105642600 632323942 /nfs/dbraw/zinc/32/39/42/632323942.db2.gz OBHQYIFKWUEPTN-UHFFFAOYSA-N 0 3 286.306 2.701 20 30 CFEDHN Cc1ccc(C(=O)OC[C@@H]2CCN2C(C)(C)C)cc1C#N ZINC000845736153 632542836 /nfs/dbraw/zinc/54/28/36/632542836.db2.gz PRQPPRKFFYQDTB-HNNXBMFYSA-N 0 3 286.375 2.896 20 30 CFEDHN Cc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)c(C)o1 ZINC000846005645 632611826 /nfs/dbraw/zinc/61/18/26/632611826.db2.gz AWHGCYWBWVDPLF-KRWDZBQOSA-N 0 3 284.359 2.934 20 30 CFEDHN COC1([C@H](C)NCc2ccc(C#N)cn2)CCCCC1 ZINC000817584259 632671339 /nfs/dbraw/zinc/67/13/39/632671339.db2.gz VYPYAGQFEBFGKB-ZDUSSCGKSA-N 0 3 273.380 2.781 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817714824 632690387 /nfs/dbraw/zinc/69/03/87/632690387.db2.gz XLQIHQGAELUIAV-GHMZBOCLSA-N 0 3 265.316 2.550 20 30 CFEDHN C=C(C)CONC(=O)c1cccc(CN2CCCC2)c1 ZINC000846540197 632729606 /nfs/dbraw/zinc/72/96/06/632729606.db2.gz WRRNTCMRKPBNAX-UHFFFAOYSA-N 0 3 274.364 2.520 20 30 CFEDHN CC[C@H](CC#N)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846984209 632868133 /nfs/dbraw/zinc/86/81/33/632868133.db2.gz ZFTHRJBFRNKHIM-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN CC[C@H](CC#N)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846984205 632868587 /nfs/dbraw/zinc/86/85/87/632868587.db2.gz ZFTHRJBFRNKHIM-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc(C)c(Cl)cc1C ZINC000818593258 632874731 /nfs/dbraw/zinc/87/47/31/632874731.db2.gz SBJWYKIMIBSHSU-UHFFFAOYSA-N 0 3 292.810 2.642 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000847022673 632887727 /nfs/dbraw/zinc/88/77/27/632887727.db2.gz IOZRYVYHXBJNHQ-MRXNPFEDSA-N 0 3 298.430 2.918 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(-c3ccccn3)nc2)C1 ZINC000847030796 632894985 /nfs/dbraw/zinc/89/49/85/632894985.db2.gz AIQGHFRNXOOHMQ-OAHLLOKOSA-N 0 3 277.371 2.989 20 30 CFEDHN C=C(Br)CNC[C@@H](O)CCCCCC ZINC000818979288 632919786 /nfs/dbraw/zinc/91/97/86/632919786.db2.gz JNMKTFYFKLLGSH-NSHDSACASA-N 0 3 264.207 2.816 20 30 CFEDHN C#C[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000847111579 632926449 /nfs/dbraw/zinc/92/64/49/632926449.db2.gz RNAMCMVWGFBDRF-CQSZACIVSA-N 0 3 285.391 2.625 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)CC1CCCC1 ZINC000819072355 632952396 /nfs/dbraw/zinc/95/23/96/632952396.db2.gz KPXMTYMXMKXWHB-KRWDZBQOSA-N 0 3 287.403 2.729 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCCC#N)cc1 ZINC000847623516 633011272 /nfs/dbraw/zinc/01/12/72/633011272.db2.gz LTPKUNBDKOGGBQ-HNNXBMFYSA-N 0 3 297.358 2.980 20 30 CFEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819316448 633073948 /nfs/dbraw/zinc/07/39/48/633073948.db2.gz REHUDYCMGBPOTD-ULFGMLNVSA-N 0 3 294.354 2.703 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000848392695 633247391 /nfs/dbraw/zinc/24/73/91/633247391.db2.gz BKIVAJZTSGQXBV-AWEZNQCLSA-N 0 3 298.346 2.691 20 30 CFEDHN Cc1cc(N=NC2CCCN3CCCC[C@@H]23)nc(C)n1 ZINC000848402970 633249429 /nfs/dbraw/zinc/24/94/29/633249429.db2.gz KWLOBBTXYQOUDH-AWEZNQCLSA-N 0 3 273.384 2.510 20 30 CFEDHN Cn1c2ccccc2nc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848403409 633249607 /nfs/dbraw/zinc/24/96/07/633249607.db2.gz SQKBGXPOMFAFHY-INIZCTEOSA-N 0 3 297.406 2.990 20 30 CFEDHN c1[nH]nc2ccc(N=NC3CCCN4CCCC[C@@H]34)cc12 ZINC000848408678 633251321 /nfs/dbraw/zinc/25/13/21/633251321.db2.gz VUJVQPUWNKQPSR-INIZCTEOSA-N 0 3 283.379 2.979 20 30 CFEDHN FC(F)(F)CCON=C1CCCN2CCCC[C@H]12 ZINC000848409321 633251790 /nfs/dbraw/zinc/25/17/90/633251790.db2.gz TUTQRPZSVXNBNR-LLVKDONJSA-N 0 3 264.291 2.960 20 30 CFEDHN C=CCCCN(C)Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848887837 633363665 /nfs/dbraw/zinc/36/36/65/633363665.db2.gz GFQOEZJKAJWDBO-KTKRTIGZSA-N 0 3 263.337 2.864 20 30 CFEDHN COC(=O)/C=C\c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000848901901 633390020 /nfs/dbraw/zinc/39/00/20/633390020.db2.gz FYBCFKBHJCGJBX-PLNGDYQASA-N 0 3 288.347 2.591 20 30 CFEDHN CCc1cccc(CNCc2ccc(C#N)cn2)c1O ZINC000848904821 633391898 /nfs/dbraw/zinc/39/18/98/633391898.db2.gz BNKDGTGBLSGTCB-UHFFFAOYSA-N 0 3 267.332 2.511 20 30 CFEDHN CC(C)c1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000848919889 633402859 /nfs/dbraw/zinc/40/28/59/633402859.db2.gz USECLSKICLLSFR-MRXNPFEDSA-N 0 3 258.365 2.660 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2C)C1 ZINC000848923908 633405956 /nfs/dbraw/zinc/40/59/56/633405956.db2.gz LADQVTOPRGVHTO-CQSZACIVSA-N 0 3 273.376 2.857 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cc(CC=C)c(O)c(OC)c2)C1 ZINC000848923633 633406557 /nfs/dbraw/zinc/40/65/57/633406557.db2.gz HQQMEEIRTKXXII-AWEZNQCLSA-N 0 3 285.387 2.975 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000848924304 633408031 /nfs/dbraw/zinc/40/80/31/633408031.db2.gz PORAPMHJJSFILM-CYBMUJFWSA-N 0 3 260.356 2.737 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001014355444 651185568 /nfs/dbraw/zinc/18/55/68/651185568.db2.gz JVSJMLUCNJXVBX-NSHDSACASA-N 0 3 282.384 2.658 20 30 CFEDHN C=C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850571891 634057367 /nfs/dbraw/zinc/05/73/67/634057367.db2.gz DNRUTQWIIJKTRN-MWLCHTKSSA-N 0 3 255.745 2.552 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C(F)F)cc2)CC1 ZINC000885578265 634062930 /nfs/dbraw/zinc/06/29/30/634062930.db2.gz RHPRDYIMLFPNAK-UHFFFAOYSA-N 0 3 292.329 2.908 20 30 CFEDHN C[C@H](CC#N)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000850938175 634145540 /nfs/dbraw/zinc/14/55/40/634145540.db2.gz RKMLTXFNSURIQH-ZBFHGGJFSA-N 0 3 286.375 2.744 20 30 CFEDHN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCC#N ZINC000852777519 634832693 /nfs/dbraw/zinc/83/26/93/634832693.db2.gz POKSQDSFLDSEHD-OKILXGFUSA-N 0 3 293.411 2.764 20 30 CFEDHN C#CCCCOc1cccnc1NCCN1CCCCC1 ZINC000853162957 634923124 /nfs/dbraw/zinc/92/31/24/634923124.db2.gz DSBILVVHCMPDLP-UHFFFAOYSA-N 0 3 287.407 2.772 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853598362 635045765 /nfs/dbraw/zinc/04/57/65/635045765.db2.gz PRQLGVAENWYPEO-ZENOOKHLSA-N 0 3 287.359 2.501 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000853598362 635045768 /nfs/dbraw/zinc/04/57/68/635045768.db2.gz PRQLGVAENWYPEO-ZENOOKHLSA-N 0 3 287.359 2.501 20 30 CFEDHN CCCCCCCC[C@@H](C)C(=O)N1CCOC2(CNC2)C1 ZINC000854015336 635192744 /nfs/dbraw/zinc/19/27/44/635192744.db2.gz LFJOGPRICCRIOS-OAHLLOKOSA-N 0 3 296.455 2.574 20 30 CFEDHN C#Cc1cccc(NC(=O)NC[C@H]2CCN2C(C)(C)C)c1 ZINC000854247211 635271421 /nfs/dbraw/zinc/27/14/21/635271421.db2.gz WLSWVAHVXOLQIX-OAHLLOKOSA-N 0 3 285.391 2.662 20 30 CFEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)CC#N ZINC000854515672 635323451 /nfs/dbraw/zinc/32/34/51/635323451.db2.gz YXISHEHUPQAHCJ-FRFSOERESA-N 0 3 297.402 2.679 20 30 CFEDHN CCc1ccc(C#CC(=O)N(CC)[C@H]2CCN(CC)C2)cc1 ZINC000855487549 635564702 /nfs/dbraw/zinc/56/47/02/635564702.db2.gz WWHFSJMRXKFUHP-SFHVURJKSA-N 0 3 298.430 2.543 20 30 CFEDHN C=CCN1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819420 635869318 /nfs/dbraw/zinc/86/93/18/635869318.db2.gz UVIMRTFDMKVGEQ-SWLSCSKDSA-N 0 3 266.385 2.552 20 30 CFEDHN CCCCCCCCC(=O)N1CCNCC1(C)C ZINC000115085219 635967471 /nfs/dbraw/zinc/96/74/71/635967471.db2.gz WPHBSYYUEGBOJS-UHFFFAOYSA-N 0 3 254.418 2.947 20 30 CFEDHN C#CCSCCNCc1cc(C)c(Br)cn1 ZINC000858142879 636138273 /nfs/dbraw/zinc/13/82/73/636138273.db2.gz PPRQKXCJORCHIG-UHFFFAOYSA-N 0 3 299.237 2.609 20 30 CFEDHN C#CC[C@H](COC)NC/C=C/c1ccc(F)cc1F ZINC000858334575 636194545 /nfs/dbraw/zinc/19/45/45/636194545.db2.gz BKSFGECHFZZDDT-YVARQFDVSA-N 0 3 265.303 2.606 20 30 CFEDHN C#CC[C@H](COC)NCc1cnc(-c2cccs2)s1 ZINC000858334637 636194597 /nfs/dbraw/zinc/19/45/97/636194597.db2.gz DFDKAKUXMIKXFU-LLVKDONJSA-N 0 3 292.429 3.000 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000858335258 636196284 /nfs/dbraw/zinc/19/62/84/636196284.db2.gz QUVXMFJMGYFOOF-MRXNPFEDSA-N 0 3 287.403 2.918 20 30 CFEDHN C=CCN1CCC(NC(=O)OCCc2ccccc2)CC1 ZINC000858950537 636391850 /nfs/dbraw/zinc/39/18/50/636391850.db2.gz NTUBIGLKWFPUOX-UHFFFAOYSA-N 0 3 288.391 2.606 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000116592954 636480186 /nfs/dbraw/zinc/48/01/86/636480186.db2.gz DLUKBIHZVXSHFE-SMDDNHRTSA-N 0 3 290.338 2.553 20 30 CFEDHN CCC#C[C@H](C)N(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860095839 636785682 /nfs/dbraw/zinc/78/56/82/636785682.db2.gz SSQNFBNXKDLNDA-STQMWFEESA-N 0 3 268.401 2.633 20 30 CFEDHN N#CCc1cccc2c1CCN(C[C@H](O)c1ccccc1)C2 ZINC000860105541 636789133 /nfs/dbraw/zinc/78/91/33/636789133.db2.gz VNLADEPROLJHJD-IBGZPJMESA-N 0 3 292.382 2.844 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C34CC(C3)C4)nc21 ZINC000860557166 636910871 /nfs/dbraw/zinc/91/08/71/636910871.db2.gz UFQJPOHONLVUBG-CSJGVYOVSA-N 0 3 265.316 2.848 20 30 CFEDHN CCN(C(=O)CC1(C#N)CCCCC1)C1CCN(C)CC1 ZINC000861891065 637251825 /nfs/dbraw/zinc/25/18/25/637251825.db2.gz QVDQNTHLEVVXSD-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccc(OC)c(OC)c2OC)C1 ZINC000862444210 637385162 /nfs/dbraw/zinc/38/51/62/637385162.db2.gz ZMNIMXHUNVRIEE-ZDUSSCGKSA-N 0 3 289.375 2.558 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(F)c(OC)cc2OC)C1 ZINC000862447208 637388009 /nfs/dbraw/zinc/38/80/09/637388009.db2.gz JGLKSZNKTPAMEJ-LBPRGKRZSA-N 0 3 277.339 2.688 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000862446777 637388114 /nfs/dbraw/zinc/38/81/14/637388114.db2.gz DMSSHWDJQDMRLC-ZDUSSCGKSA-N 0 3 257.381 2.619 20 30 CFEDHN N#CCc1cccc2c1CCN(C[C@H]1CCC=CO1)C2 ZINC000862542165 637415260 /nfs/dbraw/zinc/41/52/60/637415260.db2.gz HKTRRMYLURNTQN-MRXNPFEDSA-N 0 3 268.360 2.803 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC2CCC2)CC1 ZINC000119128967 637512543 /nfs/dbraw/zinc/51/25/43/637512543.db2.gz YFXKXNQEKCAOKC-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN N#CCCCCNCc1cccnc1Br ZINC000865448861 638322416 /nfs/dbraw/zinc/32/24/16/638322416.db2.gz OYSBMLBJQWFTHK-UHFFFAOYSA-N 0 3 268.158 2.628 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc(C(C)(C)C)cs1 ZINC000865520494 638393030 /nfs/dbraw/zinc/39/30/30/638393030.db2.gz REBLIWHVRAXWBW-LLVKDONJSA-N 0 3 268.426 2.715 20 30 CFEDHN CN(C)c1ccc(F)cc1CNCC(C)(C)CC#N ZINC000865598937 638449533 /nfs/dbraw/zinc/44/95/33/638449533.db2.gz ADNFTGDOKAFSRN-UHFFFAOYSA-N 0 3 263.360 2.921 20 30 CFEDHN CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866240767 638777738 /nfs/dbraw/zinc/77/77/38/638777738.db2.gz MXOWORAYVASSGI-KBPBESRZSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866400348 638815145 /nfs/dbraw/zinc/81/51/45/638815145.db2.gz YXRXGUINCIZJRA-ZIAGYGMSSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866400346 638815411 /nfs/dbraw/zinc/81/54/11/638815411.db2.gz YXRXGUINCIZJRA-KGLIPLIRSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cc2n(n1)CCC2 ZINC000866615110 638855384 /nfs/dbraw/zinc/85/53/84/638855384.db2.gz BCBUFQSMSWCFIR-LRDDRELGSA-N 0 3 292.386 2.519 20 30 CFEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1cc2n(n1)CCC2 ZINC000866615114 638855397 /nfs/dbraw/zinc/85/53/97/638855397.db2.gz BCBUFQSMSWCFIR-WBMJQRKESA-N 0 3 292.386 2.519 20 30 CFEDHN C=CCOCCCC(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867991147 638912718 /nfs/dbraw/zinc/91/27/18/638912718.db2.gz UFJKSVOZHMGCDM-INIZCTEOSA-N 0 3 288.391 2.794 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)nc21 ZINC000870207726 639545220 /nfs/dbraw/zinc/54/52/20/639545220.db2.gz OAZVSIXXDXGFPY-YVECIDJPSA-N 0 3 297.358 2.861 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)[nH]c21 ZINC000870207726 639545227 /nfs/dbraw/zinc/54/52/27/639545227.db2.gz OAZVSIXXDXGFPY-YVECIDJPSA-N 0 3 297.358 2.861 20 30 CFEDHN Cc1cccc(CO[C@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000870288269 639582290 /nfs/dbraw/zinc/58/22/90/639582290.db2.gz OUJUJIDVYJZJMM-UKRRQHHQSA-N 0 3 295.342 2.567 20 30 CFEDHN C#CCN(C)CCc1cccc(OC(F)(F)F)c1 ZINC000192226616 650549927 /nfs/dbraw/zinc/54/99/27/650549927.db2.gz OFMPAMXTTKKMFL-UHFFFAOYSA-N 0 3 257.255 2.693 20 30 CFEDHN C#CCN1CCN(Cc2cc(C(C)C)c(C)cc2O)CC1 ZINC000079032215 650556754 /nfs/dbraw/zinc/55/67/54/650556754.db2.gz HOEWBOSGISFAGB-UHFFFAOYSA-N 0 3 286.419 2.575 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870908617 641116575 /nfs/dbraw/zinc/11/65/75/641116575.db2.gz RVNFLNZRPVOZKU-KRWDZBQOSA-N 0 3 298.430 2.735 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccco1 ZINC000193264490 650639587 /nfs/dbraw/zinc/63/95/87/650639587.db2.gz BVBLBTSHJYZEPG-ZDUSSCGKSA-N 0 3 293.326 2.975 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000123600860 641313976 /nfs/dbraw/zinc/31/39/76/641313976.db2.gz IZKASEUYAGNPCI-XJKSGUPXSA-N 0 3 298.386 2.948 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000123601072 641314753 /nfs/dbraw/zinc/31/47/53/641314753.db2.gz IZKASEUYAGNPCI-CZUORRHYSA-N 0 3 298.386 2.948 20 30 CFEDHN CC[C@@H](NCCCC#N)C(=O)Nc1ccc(C)cc1 ZINC000871881051 641496957 /nfs/dbraw/zinc/49/69/57/641496957.db2.gz FRRDUFHGDUSKPZ-CQSZACIVSA-N 0 3 259.353 2.606 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC(Cc3cccs3)C2)cc1 ZINC000871986775 641544176 /nfs/dbraw/zinc/54/41/76/641544176.db2.gz PSEQVPPVYGIQNL-QGZVFWFLSA-N 0 3 298.411 2.828 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2ccc(C#N)s2)C1 ZINC000873182658 642053252 /nfs/dbraw/zinc/05/32/52/642053252.db2.gz RQTWDVIWXXFTRY-XYPYZODXSA-N 0 3 292.404 2.830 20 30 CFEDHN CCCCCCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000875765637 642683956 /nfs/dbraw/zinc/68/39/56/642683956.db2.gz UTGHJMPVOTVNGY-HNNXBMFYSA-N 0 3 281.444 2.835 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000930290699 642704183 /nfs/dbraw/zinc/70/41/83/642704183.db2.gz ODTYHASHNWUTGZ-OAHLLOKOSA-N 0 3 278.783 2.794 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N1CCCN(CC)CC1 ZINC000876320914 642823539 /nfs/dbraw/zinc/82/35/39/642823539.db2.gz TYAZAISOGXEAPN-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000876503445 642896304 /nfs/dbraw/zinc/89/63/04/642896304.db2.gz KAFXBZLSKVLOKV-GFCCVEGCSA-N 0 3 293.798 2.695 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cccc1CC ZINC000876545571 642914253 /nfs/dbraw/zinc/91/42/53/642914253.db2.gz JRMYLVJCCDJRCT-GFCCVEGCSA-N 0 3 266.772 2.966 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCCC)CCCC ZINC000876546791 642914915 /nfs/dbraw/zinc/91/49/15/642914915.db2.gz WDSDKJZXTRWTDA-GFCCVEGCSA-N 0 3 260.809 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccccc1 ZINC000876547749 642915617 /nfs/dbraw/zinc/91/56/17/642915617.db2.gz YUZUVWLSQZNENX-CYBMUJFWSA-N 0 3 266.772 2.505 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccccc1 ZINC000876547750 642915649 /nfs/dbraw/zinc/91/56/49/642915649.db2.gz YUZUVWLSQZNENX-ZDUSSCGKSA-N 0 3 266.772 2.505 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1F ZINC000876549027 642917645 /nfs/dbraw/zinc/91/76/45/642917645.db2.gz YMWWCSJJRZMUMN-JTQLQIEISA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(OCC)cc1 ZINC000876553766 642919433 /nfs/dbraw/zinc/91/94/33/642919433.db2.gz XLEADQQRGAFEHD-AWEZNQCLSA-N 0 3 296.798 2.514 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCCC ZINC000876556430 642920665 /nfs/dbraw/zinc/92/06/65/642920665.db2.gz RJNYLBCTHJMROX-NSHDSACASA-N 0 3 282.771 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000876562460 642924437 /nfs/dbraw/zinc/92/44/37/642924437.db2.gz QPOOEOMNDAGNGS-GHMZBOCLSA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCSc1ccc(C)cc1 ZINC000876564522 642925362 /nfs/dbraw/zinc/92/53/62/642925362.db2.gz NDVLIFZKEJODJB-CYBMUJFWSA-N 0 3 298.839 2.673 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2sccc2[C@H]1C ZINC000876567219 642926175 /nfs/dbraw/zinc/92/61/75/642926175.db2.gz FVJUVKZXSCZJAY-MWLCHTKSSA-N 0 3 284.812 2.664 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cccc(OC(C)C)c1 ZINC000876578740 642931939 /nfs/dbraw/zinc/93/19/39/642931939.db2.gz ZEIKOYOWDGYJAF-CQSZACIVSA-N 0 3 296.798 2.560 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000876578533 642931954 /nfs/dbraw/zinc/93/19/54/642931954.db2.gz QWNNPDYYSCGANW-AWEZNQCLSA-N 0 3 296.798 2.560 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C(C)C)cc1 ZINC000876586038 642934294 /nfs/dbraw/zinc/93/42/94/642934294.db2.gz CSQPSGUKJCUJPI-CQSZACIVSA-N 0 3 280.799 2.896 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000876588228 642934977 /nfs/dbraw/zinc/93/49/77/642934977.db2.gz CSMWAETXSOSFPT-TZMCWYRMSA-N 0 3 280.799 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccccc1OC ZINC000876592193 642936868 /nfs/dbraw/zinc/93/68/68/642936868.db2.gz RPNLJVTUYBURHX-QWHCGFSZSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)CC(CC)CC ZINC000876596626 642938912 /nfs/dbraw/zinc/93/89/12/642938912.db2.gz DENYTSYAQZGCKV-LBPRGKRZSA-N 0 3 260.809 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000876595541 642939027 /nfs/dbraw/zinc/93/90/27/642939027.db2.gz HNLDCSWPERBACD-VHSXEESVSA-N 0 3 272.801 2.737 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000876613651 642944468 /nfs/dbraw/zinc/94/44/68/642944468.db2.gz GIHDDNRRFGOGED-QWHCGFSZSA-N 0 3 299.201 2.913 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCC(CCC)CC1 ZINC000876618866 642948388 /nfs/dbraw/zinc/94/83/88/642948388.db2.gz HYNGHEKWDRSBPB-WXRRBKDZSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000876623011 642949148 /nfs/dbraw/zinc/94/91/48/642949148.db2.gz UTEWHAWSCXUJTE-ZDUSSCGKSA-N 0 3 296.773 2.791 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1CCCC ZINC000876642744 642955689 /nfs/dbraw/zinc/95/56/89/642955689.db2.gz LBIYWBZHGHWRTQ-RWMBFGLXSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCC(C)(C)C ZINC000876647113 642957521 /nfs/dbraw/zinc/95/75/21/642957521.db2.gz GEACAQBZEQADPP-NSHDSACASA-N 0 3 260.809 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000876656883 642961014 /nfs/dbraw/zinc/96/10/14/642961014.db2.gz HVAMPIWDTLKVLH-WXHSDQCUSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CCCC[C@H]1C ZINC000876657424 642961044 /nfs/dbraw/zinc/96/10/44/642961044.db2.gz NIZGYUMVWSBBRC-RTXFEEFZSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000876659703 642961550 /nfs/dbraw/zinc/96/15/50/642961550.db2.gz DVWFJYWOMRSOTL-NDBYEHHHSA-N 0 3 270.804 2.636 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC(C)(C)CC1 ZINC000876665924 642963778 /nfs/dbraw/zinc/96/37/78/642963778.db2.gz CIEXGFJEANCENU-NSHDSACASA-N 0 3 258.793 2.541 20 30 CFEDHN CCO[C@@H]1C[C@H](NC[C@@H](C)C#N)C12CCCCC2 ZINC000087300619 650801522 /nfs/dbraw/zinc/80/15/22/650801522.db2.gz RLBXISSFRSJRGG-MELADBBJSA-N 0 3 250.386 2.864 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000876678923 642969339 /nfs/dbraw/zinc/96/93/39/642969339.db2.gz MPTJSDCAZROQBR-BXUZGUMPSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000876682332 642970132 /nfs/dbraw/zinc/97/01/32/642970132.db2.gz IIAZGTBZVWXRKS-AGIUHOORSA-N 0 3 270.804 2.541 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)Cc1cccs1 ZINC000876682547 642970575 /nfs/dbraw/zinc/97/05/75/642970575.db2.gz JPBCXRUSCJKCOM-BXKDBHETSA-N 0 3 286.828 2.513 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000876689646 642974658 /nfs/dbraw/zinc/97/46/58/642974658.db2.gz ISHHAOKHLMNRGW-OLZOCXBDSA-N 0 3 282.746 2.569 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000876689647 642974889 /nfs/dbraw/zinc/97/48/89/642974889.db2.gz ISHHAOKHLMNRGW-QWHCGFSZSA-N 0 3 282.746 2.569 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C2CCCC2)CC1 ZINC000876690487 642975463 /nfs/dbraw/zinc/97/54/63/642975463.db2.gz WKBFJZCOWPBXOB-CQSZACIVSA-N 0 3 284.831 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N(CC)CC)cc1 ZINC000876707106 642980907 /nfs/dbraw/zinc/98/09/07/642980907.db2.gz SHBWJDSLGVQZJY-CQSZACIVSA-N 0 3 295.814 2.941 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(F)cccc1NC1CC1 ZINC000876877539 643046194 /nfs/dbraw/zinc/04/61/94/643046194.db2.gz XDPZXSYHLBXBSZ-LLVKDONJSA-N 0 3 297.761 2.808 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H]1CCCC[C@@H]1C ZINC000876878374 643047764 /nfs/dbraw/zinc/04/77/64/643047764.db2.gz ARCFCWYAMZQRLP-DRZSPHRISA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000876881773 643048138 /nfs/dbraw/zinc/04/81/38/643048138.db2.gz OXFXXARILCQSGP-ZDUSSCGKSA-N 0 3 295.814 2.778 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ncc(CCC)s1 ZINC000876882644 643049606 /nfs/dbraw/zinc/04/96/06/643049606.db2.gz NGAXNBCDEZMDTQ-SECBINFHSA-N 0 3 273.789 2.504 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1NCC ZINC000876884732 643051371 /nfs/dbraw/zinc/05/13/71/643051371.db2.gz JEAUYYSTGYHCLK-NSHDSACASA-N 0 3 281.787 2.835 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000876909423 643060634 /nfs/dbraw/zinc/06/06/34/643060634.db2.gz YIHJLUSYNLUBJZ-IUCAKERBSA-N 0 3 298.736 2.646 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000876931221 643069935 /nfs/dbraw/zinc/06/99/35/643069935.db2.gz USJWHEOEHYGUFE-YNEHKIRRSA-N 0 3 270.804 2.541 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)N1CCCCC1 ZINC000876956003 643078845 /nfs/dbraw/zinc/07/88/45/643078845.db2.gz DLPOFVJDVCNKLN-GFCCVEGCSA-N 0 3 292.814 2.571 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)N1CCCCC1 ZINC000876956004 643080144 /nfs/dbraw/zinc/08/01/44/643080144.db2.gz DLPOFVJDVCNKLN-LBPRGKRZSA-N 0 3 292.814 2.571 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000876960283 643081806 /nfs/dbraw/zinc/08/18/06/643081806.db2.gz BYJRCFHGCSXLJT-RSLMWUCJSA-N 0 3 272.820 2.645 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)Cc1ccc(F)cc1C ZINC000876959232 643082157 /nfs/dbraw/zinc/08/21/57/643082157.db2.gz QMFBYWKGHUJVHX-FZMZJTMJSA-N 0 3 298.789 2.651 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc2cc(C)ccc2o1 ZINC000876967591 643086739 /nfs/dbraw/zinc/08/67/39/643086739.db2.gz JBAKKMLUMCQSSI-ZDUSSCGKSA-N 0 3 292.766 2.827 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@]1(c2ccccc2)CC1(C)C ZINC000876980125 643091276 /nfs/dbraw/zinc/09/12/76/643091276.db2.gz XLTDJKOSKHSGFA-BBRMVZONSA-N 0 3 292.810 2.898 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@]1(c2ccccc2)CC1(C)C ZINC000876980126 643091397 /nfs/dbraw/zinc/09/13/97/643091397.db2.gz XLTDJKOSKHSGFA-CJNGLKHVSA-N 0 3 292.810 2.898 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1CC(C)C ZINC000876990034 643095060 /nfs/dbraw/zinc/09/50/60/643095060.db2.gz NWGLSEWSCGJMPF-OAHLLOKOSA-N 0 3 294.826 2.971 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)cnc2Cl)[C@@H]2CCO[C@@H]21 ZINC000877058607 643126255 /nfs/dbraw/zinc/12/62/55/643126255.db2.gz CYLQRSYQBOHVCD-XQQFMLRXSA-N 0 3 291.782 2.510 20 30 CFEDHN C[C@@H](Cc1ccncc1)NCc1cc(C#N)cnc1Cl ZINC000877073280 643135319 /nfs/dbraw/zinc/13/53/19/643135319.db2.gz HFTJREBSHQEQBN-NSHDSACASA-N 0 3 286.766 2.722 20 30 CFEDHN C[C@H](C[C@H](O)c1ccccc1)NCc1cccc(C#N)n1 ZINC000877127446 643165838 /nfs/dbraw/zinc/16/58/38/643165838.db2.gz HFKBTCQUDWJISM-DYVFJYSZSA-N 0 3 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/nfs/dbraw/zinc/48/93/00/644489300.db2.gz BJNZRNADLRRODU-UONOGXRCSA-N 0 3 298.308 2.866 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2COC3(CCCCC3)O2)c1 ZINC000128311355 644610938 /nfs/dbraw/zinc/61/09/38/644610938.db2.gz XINVFFCUOOAYDF-CYBMUJFWSA-N 0 3 292.404 2.785 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@H](c3nccs3)C2)c1 ZINC000880316118 644649712 /nfs/dbraw/zinc/64/97/12/644649712.db2.gz CWBQHRAZNWVXEB-AWEZNQCLSA-N 0 3 299.399 2.883 20 30 CFEDHN C=CCN1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC000880500844 644738364 /nfs/dbraw/zinc/73/83/64/644738364.db2.gz HSIKQEYPGFXRIL-FUHWJXTLSA-N 0 3 286.419 2.538 20 30 CFEDHN Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)oc1C ZINC000128725430 644886714 /nfs/dbraw/zinc/88/67/14/644886714.db2.gz YZXMANVHKLLWDE-CYBMUJFWSA-N 0 3 282.299 2.858 20 30 CFEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)oc1C ZINC000128725430 644886717 /nfs/dbraw/zinc/88/67/17/644886717.db2.gz YZXMANVHKLLWDE-CYBMUJFWSA-N 0 3 282.299 2.858 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001007281767 651013474 /nfs/dbraw/zinc/01/34/74/651013474.db2.gz UNZXGGPTXHLDPM-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000130654464 645544472 /nfs/dbraw/zinc/54/44/72/645544472.db2.gz WKGYUMAWFTZQCI-OAHLLOKOSA-N 0 3 299.418 2.505 20 30 CFEDHN C=CCC[C@H](NCc1c(C)noc1C)[C@@H]1CCCO1 ZINC000883176988 645641866 /nfs/dbraw/zinc/64/18/66/645641866.db2.gz OXOUDWRNHFWTMW-GJZGRUSLSA-N 0 3 264.369 2.895 20 30 CFEDHN COc1cccc(CN(C)Cc2ccc(C#N)cc2)c1O ZINC000131190677 645651558 /nfs/dbraw/zinc/65/15/58/645651558.db2.gz SAFZEEGSSGZVGY-UHFFFAOYSA-N 0 3 282.343 2.904 20 30 CFEDHN C=CCC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000883226687 645676900 /nfs/dbraw/zinc/67/69/00/645676900.db2.gz CXBXMASXHQFODM-XQLPTFJDSA-N 0 3 275.396 2.992 20 30 CFEDHN C=CCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CCCO1 ZINC000883226686 645677340 /nfs/dbraw/zinc/67/73/40/645677340.db2.gz CXBXMASXHQFODM-LXTVHRRPSA-N 0 3 275.396 2.992 20 30 CFEDHN C=CCn1cc(CN[C@H]2CC(C)(C)CC[C@H]2C)nn1 ZINC000883230885 645680421 /nfs/dbraw/zinc/68/04/21/645680421.db2.gz SYDVQJPIMFQNCN-OCCSQVGLSA-N 0 3 262.401 2.769 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(-c3ccccn3)n2)C1 ZINC000883293635 645726117 /nfs/dbraw/zinc/72/61/17/645726117.db2.gz APBBQBIGMKYRCM-KBPBESRZSA-N 0 3 293.374 2.711 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(OC)cc1F ZINC000883389177 645786591 /nfs/dbraw/zinc/78/65/91/645786591.db2.gz LWZIJBZFKMXENG-NWDGAFQWSA-N 0 3 267.344 2.812 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cccnc1Cl ZINC000883390383 645789169 /nfs/dbraw/zinc/78/91/69/645789169.db2.gz LAFREIFNEOREFA-QWRGUYRKSA-N 0 3 254.761 2.713 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cccc(F)c1F ZINC000883390405 645789277 /nfs/dbraw/zinc/78/92/77/645789277.db2.gz LKOGGWMLJFOELF-GHMZBOCLSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1nc2ccc(OC)cc2s1 ZINC000883400802 645797362 /nfs/dbraw/zinc/79/73/62/645797362.db2.gz VRDYBQYEUYYTAA-NSHDSACASA-N 0 3 292.404 2.722 20 30 CFEDHN C[C@@H]1CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@H](C)CN1 ZINC000883585294 645899313 /nfs/dbraw/zinc/89/93/13/645899313.db2.gz LDYNHOVYXOHHIR-VXGBXAGGSA-N 0 3 298.390 2.650 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2c(F)cccc2F)CC1 ZINC001006338845 645993988 /nfs/dbraw/zinc/99/39/88/645993988.db2.gz RDGUWGRNIZKEES-UHFFFAOYSA-N 0 3 294.345 2.687 20 30 CFEDHN CCCCCN(C(=O)C1CC2(C1)CNC[C@H]2C#N)C(C)C ZINC000884081536 646204088 /nfs/dbraw/zinc/20/40/88/646204088.db2.gz BZPOUUFHEMKRRW-ISXOHVOVSA-N 0 3 291.439 2.553 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000884284871 646290890 /nfs/dbraw/zinc/29/08/90/646290890.db2.gz UTIYCXLJZVGMTM-HNNXBMFYSA-N 0 3 272.392 2.592 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](N)CC2CC2)CCCC1 ZINC000884399119 646340394 /nfs/dbraw/zinc/34/03/94/646340394.db2.gz WPSLPVGPLCVXIE-CQSZACIVSA-N 0 3 264.413 2.757 20 30 CFEDHN CC(=NOC[C@H]1CCOC1)c1c(C)cc(N)cc1C ZINC000884453608 646367324 /nfs/dbraw/zinc/36/73/24/646367324.db2.gz UDBKZSJLLAFHIJ-ZDUSSCGKSA-N 0 3 262.353 2.663 20 30 CFEDHN COc1ccc(C[NH2+]Cc2ccccc2[O-])cc1C#N ZINC000135170985 646486293 /nfs/dbraw/zinc/48/62/93/646486293.db2.gz FVBXKXDEAZCVSD-UHFFFAOYSA-N 0 3 268.316 2.562 20 30 CFEDHN CCCCCCCC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000885861354 646761018 /nfs/dbraw/zinc/76/10/18/646761018.db2.gz SBCYSBJSIACQPJ-INIZCTEOSA-N 0 3 296.455 2.716 20 30 CFEDHN CC(C)(C)CN(CCC#N)C[C@H]1C[C@@]12CCOC2 ZINC000886016484 646818310 /nfs/dbraw/zinc/81/83/10/646818310.db2.gz FZQKNYKBQMNXGR-UKRRQHHQSA-N 0 3 250.386 2.675 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CC[C@H]2c2ccccc2)CCC1 ZINC000886032803 646831091 /nfs/dbraw/zinc/83/10/91/646831091.db2.gz OOSPUAGHHCKAOM-CVEARBPZSA-N 0 3 270.376 2.878 20 30 CFEDHN N#CC(C(=O)CCCc1ccccn1)c1ccccn1 ZINC000136537956 646866247 /nfs/dbraw/zinc/86/62/47/646866247.db2.gz YPRKTNFKCBTFQF-AWEZNQCLSA-N 0 3 265.316 2.676 20 30 CFEDHN N#CC1(C[C@@H](O)CNC2(c3ccccc3F)CC2)CCC1 ZINC000886111842 646877028 /nfs/dbraw/zinc/87/70/28/646877028.db2.gz JSAMIOCLLJVVEU-CYBMUJFWSA-N 0 3 288.366 2.849 20 30 CFEDHN C=C(CC)CNCc1ccc(OC)c(OC)c1F ZINC000886138993 646890649 /nfs/dbraw/zinc/89/06/49/646890649.db2.gz ZQSVHLHAJTVUKN-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN COc1cc(C)cc(CN[C@@H]2CC[C@H](C#N)C2)c1OC ZINC000886148958 646896049 /nfs/dbraw/zinc/89/60/49/646896049.db2.gz ASFVFDFRDCRMJM-GXTWGEPZSA-N 0 3 274.364 2.794 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353826 646983008 /nfs/dbraw/zinc/98/30/08/646983008.db2.gz QSECHELDNCRTQP-HZPDHXFCSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@H]1CCN(CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000886355359 646984066 /nfs/dbraw/zinc/98/40/66/646984066.db2.gz HEWTVHVCWOVACK-YJBOKZPZSA-N 0 3 296.414 2.525 20 30 CFEDHN COC(=O)[C@@H]1CC[C@@H](N[C@@H](CCC#N)c2ccccc2)C1 ZINC000886553678 647045519 /nfs/dbraw/zinc/04/55/19/647045519.db2.gz SWQCGCSZNAJDOJ-OAGGEKHMSA-N 0 3 286.375 2.963 20 30 CFEDHN C#CCN(C(=O)[C@H]1CCC[C@@H]1CCC)C1CCN(C)CC1 ZINC000886575946 647052295 /nfs/dbraw/zinc/05/22/95/647052295.db2.gz PYBWMJGUFGKBSS-RDJZCZTQSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)/C=C(\C)c1ccccc1)C1CCN(C)CC1 ZINC000886583342 647054968 /nfs/dbraw/zinc/05/49/68/647054968.db2.gz MIEICRUDKPTKRX-FOCLMDBBSA-N 0 3 296.414 2.646 20 30 CFEDHN C#CCN(C(=O)[C@H](CC)c1ccccc1)C1CCN(C)CC1 ZINC000886585121 647055457 /nfs/dbraw/zinc/05/54/57/647055457.db2.gz IVGVNRGEXRXRID-GOSISDBHSA-N 0 3 298.430 2.736 20 30 CFEDHN C#CCN(C(=O)c1cccc(Cl)c1)C1CCN(C)CC1 ZINC000886588836 647056401 /nfs/dbraw/zinc/05/64/01/647056401.db2.gz AANMJRIRRHXAJA-UHFFFAOYSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCN1CCC[C@H](N[C@H](C)c2nc(C)sc2C)C1 ZINC000886660922 647095148 /nfs/dbraw/zinc/09/51/48/647095148.db2.gz ILMYENWRSNTVCD-RISCZKNCSA-N 0 3 277.437 2.508 20 30 CFEDHN C=CCC1(O)CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000886778497 647133970 /nfs/dbraw/zinc/13/39/70/647133970.db2.gz CXGFDGRFQIPXQJ-NSHDSACASA-N 0 3 278.223 2.973 20 30 CFEDHN N#Cc1c(CN2CC[C@H]([C@H]3CCCO3)C2)cn2ccccc12 ZINC000886834783 647157589 /nfs/dbraw/zinc/15/75/89/647157589.db2.gz CVGWYMGBQMQRBE-KBXCAEBGSA-N 0 3 295.386 2.812 20 30 CFEDHN CCN1CC[C@H]1C/N=C\c1cc(Cl)ccc1O ZINC000887269946 647254406 /nfs/dbraw/zinc/25/44/06/647254406.db2.gz DRNGCHJWWUEFBN-IYVNWDGISA-N 0 3 252.745 2.559 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NC[C@@H](O)c1c(F)cccc1F ZINC000925457285 648173997 /nfs/dbraw/zinc/17/39/97/648173997.db2.gz RTXMXXWRFNWENI-GXFFZTMASA-N 0 3 282.334 2.916 20 30 CFEDHN COc1cc([C@H](C)NCC(C)(C)CCC#N)on1 ZINC000926426618 648484090 /nfs/dbraw/zinc/48/40/90/648484090.db2.gz KLMBPGSGYMNSIB-JTQLQIEISA-N 0 3 251.330 2.664 20 30 CFEDHN CCn1nc(C)c([C@@H](C)NCC(C)(C)CCC#N)n1 ZINC000926426450 648484297 /nfs/dbraw/zinc/48/42/97/648484297.db2.gz FHLWXSFOFHLKCY-LLVKDONJSA-N 0 3 263.389 2.587 20 30 CFEDHN COC1(OC)CC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000926599748 648547928 /nfs/dbraw/zinc/54/79/28/648547928.db2.gz HQZYPPSPBGBPKV-HZPDHXFCSA-N 0 3 286.375 2.677 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccnn1C1CCC1 ZINC000926617056 648552075 /nfs/dbraw/zinc/55/20/75/648552075.db2.gz WHSILLMYXQUQFU-FRRDWIJNSA-N 0 3 258.369 2.951 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NC[C@H](n1cccn1)C(F)(F)F ZINC000926748159 648600524 /nfs/dbraw/zinc/60/05/24/648600524.db2.gz UCWKLWZGXLYYIG-QWRGUYRKSA-N 0 3 288.317 2.904 20 30 CFEDHN CSC1CC(N2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000926806742 648624016 /nfs/dbraw/zinc/62/40/16/648624016.db2.gz HXBUPCMRNNZKNA-UHFFFAOYSA-N 0 3 287.432 2.574 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926862138 648637483 /nfs/dbraw/zinc/63/74/83/648637483.db2.gz FKLYBIYQQIRQKA-ZWNOBZJWSA-N 0 3 253.317 2.509 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cc(C(F)(F)F)nn1C ZINC000926926033 648661051 /nfs/dbraw/zinc/66/10/51/648661051.db2.gz IDGYPBYMJBUKLC-SECBINFHSA-N 0 3 288.317 2.857 20 30 CFEDHN C#CCN(C[C@H]1CCC2(COC2)O1)[C@H]1CCc2ccccc21 ZINC000929333239 649032593 /nfs/dbraw/zinc/03/25/93/649032593.db2.gz FXMTZAZKZMQHRB-AEFFLSMTSA-N 0 3 297.398 2.557 20 30 CFEDHN CCOC(=O)/C=C/CN(Cc1ccc(C#N)cc1)C(C)C ZINC000929379669 649042533 /nfs/dbraw/zinc/04/25/33/649042533.db2.gz OUUZSKQCWMJOIZ-AATRIKPKSA-N 0 3 286.375 2.888 20 30 CFEDHN C=C1CCN(C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000929603803 649076439 /nfs/dbraw/zinc/07/64/39/649076439.db2.gz NDIKLLWSUIPPKG-SJORKVTESA-N 0 3 275.392 2.513 20 30 CFEDHN N#Cc1cncc(CN2CC[C@H](c3ccco3)C2)c1 ZINC000929618767 649080164 /nfs/dbraw/zinc/08/01/64/649080164.db2.gz IRLKGNPLJPMTAW-AWEZNQCLSA-N 0 3 253.305 2.536 20 30 CFEDHN CC[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930187023 649201723 /nfs/dbraw/zinc/20/17/23/649201723.db2.gz AOTMSALCESSZKI-OLZOCXBDSA-N 0 3 252.745 2.655 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C)c1Cl ZINC000930259606 649216569 /nfs/dbraw/zinc/21/65/69/649216569.db2.gz ZLUDDUYEFMIOQX-UHFFFAOYSA-N 0 3 293.798 2.725 20 30 CFEDHN N#CC1CCC(CN2CCC(=O)CC23CCC3)CC1 ZINC000930741057 649317498 /nfs/dbraw/zinc/31/74/98/649317498.db2.gz HREYZXMRVLDWMY-UHFFFAOYSA-N 0 3 260.381 2.904 20 30 CFEDHN C#C[C@@H]1CCCN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930884293 649343198 /nfs/dbraw/zinc/34/31/98/649343198.db2.gz CCPWLUJJABURQY-UPJWGTAASA-N 0 3 275.314 2.832 20 30 CFEDHN CN1CCN(CC2CCC(C#N)CC2)Cc2cccnc21 ZINC000931568827 649455985 /nfs/dbraw/zinc/45/59/85/649455985.db2.gz DAGNRKSTYZKSGJ-UHFFFAOYSA-N 0 3 284.407 2.663 20 30 CFEDHN CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C[C@H](O)CC#N ZINC000931688598 649471937 /nfs/dbraw/zinc/47/19/37/649471937.db2.gz IYCKPVDSPHDKKX-OLZOCXBDSA-N 0 3 294.345 2.807 20 30 CFEDHN C[C@@H](C#N)OCCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932215444 649565533 /nfs/dbraw/zinc/56/55/33/649565533.db2.gz ZPELVJPXTWCSOH-DZGCQCFKSA-N 0 3 286.375 2.951 20 30 CFEDHN N#CC1CCC(CN[C@@H](c2ncccn2)C2CC2)CC1 ZINC000932351616 649582501 /nfs/dbraw/zinc/58/25/01/649582501.db2.gz AWHDVMXMGNJMJH-SSDMNJCBSA-N 0 3 270.380 2.847 20 30 CFEDHN C#CCN(CCc1nc(-c2ccccc2)no1)C(C)C ZINC000932389588 649591421 /nfs/dbraw/zinc/59/14/21/649591421.db2.gz CGBIKUOGWPLURV-UHFFFAOYSA-N 0 3 269.348 2.623 20 30 CFEDHN C#CCN(C[C@H](O)c1ccccc1Br)C(C)C ZINC000932388909 649591462 /nfs/dbraw/zinc/59/14/62/649591462.db2.gz ZRFBWYKQDXJXGM-AWEZNQCLSA-N 0 3 296.208 2.826 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CSC)CC1 ZINC000932595104 649626256 /nfs/dbraw/zinc/62/62/56/649626256.db2.gz ONVJQANBWLPEFL-AWEZNQCLSA-N 0 3 298.496 2.875 20 30 CFEDHN Cc1ccc(C#N)cc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000932691377 649636243 /nfs/dbraw/zinc/63/62/43/649636243.db2.gz DPTMQDIEDQORLY-UHFFFAOYSA-N 0 3 299.418 2.813 20 30 CFEDHN C=CCN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933077265 649670148 /nfs/dbraw/zinc/67/01/48/649670148.db2.gz YANWYOPCSSNHAV-CQSZACIVSA-N 0 3 259.349 2.523 20 30 CFEDHN C#CCC1(N[C@@H](C)c2cc(C)c(C(=O)OC)o2)CCC1 ZINC000933299030 649685532 /nfs/dbraw/zinc/68/55/32/649685532.db2.gz MCNDLRUESMHHKQ-LBPRGKRZSA-N 0 3 275.348 2.971 20 30 CFEDHN CN(CCCCC#N)CC(=O)NCCC1=CCCCC1 ZINC000933363714 649688666 /nfs/dbraw/zinc/68/86/66/649688666.db2.gz QPNMACTZRPYCNI-UHFFFAOYSA-N 0 3 277.412 2.619 20 30 CFEDHN C#CCCCCCCN1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933672884 649712286 /nfs/dbraw/zinc/71/22/86/649712286.db2.gz FJRMZJLDQQYPNY-SJORKVTESA-N 0 3 279.424 2.698 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933667743 649712310 /nfs/dbraw/zinc/71/23/10/649712310.db2.gz QHFNWLPTLSNPEI-JKSUJKDBSA-N 0 3 294.439 2.834 20 30 CFEDHN C#CCCCCCCN1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933672881 649712670 /nfs/dbraw/zinc/71/26/70/649712670.db2.gz FJRMZJLDQQYPNY-DLBZAZTESA-N 0 3 279.424 2.698 20 30 CFEDHN C=C(Br)CN[C@H](C)Cc1cccnc1 ZINC000934233197 649764539 /nfs/dbraw/zinc/76/45/39/649764539.db2.gz FBAUQRSSRSZIQF-SNVBAGLBSA-N 0 3 255.159 2.511 20 30 CFEDHN C=CC[C@@H]1CCN1CCC(=O)c1ccc(OC)cc1 ZINC000934463467 649788095 /nfs/dbraw/zinc/78/80/95/649788095.db2.gz IRNZCFJHEOYDCC-CQSZACIVSA-N 0 3 259.349 2.918 20 30 CFEDHN C=CC[C@H]1CCN1CCc1nc2ccccc2c(=O)[nH]1 ZINC000934468375 649789750 /nfs/dbraw/zinc/78/97/50/649789750.db2.gz XIRISGRTQPTNFA-LBPRGKRZSA-N 0 3 269.348 2.528 20 30 CFEDHN C=CC[C@H]1CCN1[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000934473148 649791709 /nfs/dbraw/zinc/79/17/09/649791709.db2.gz XKYURRBRERZANE-KGLIPLIRSA-N 0 3 252.402 2.671 20 30 CFEDHN C=CCCCN(CC)CC(=O)N1CCC[C@H](C)C1 ZINC000934651741 649812366 /nfs/dbraw/zinc/81/23/66/649812366.db2.gz TWPNUDMCZXXSIB-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCCCN(CC)CC(=O)NCc1ccccc1 ZINC000934649374 649812491 /nfs/dbraw/zinc/81/24/91/649812491.db2.gz UAHVXOZXIREXOL-UHFFFAOYSA-N 0 3 260.381 2.591 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008281592 651146181 /nfs/dbraw/zinc/14/61/81/651146181.db2.gz OYWTZBLTRGSSCW-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001008694445 651153270 /nfs/dbraw/zinc/15/32/70/651153270.db2.gz HTVGPLIIRKLNTR-HOTGVXAUSA-N 0 3 290.382 2.854 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001009670585 651163036 /nfs/dbraw/zinc/16/30/36/651163036.db2.gz YJTAXXXUHBVNKO-INIZCTEOSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001014384162 651185600 /nfs/dbraw/zinc/18/56/00/651185600.db2.gz ONWQVDOZEDOZJW-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001015178877 651197437 /nfs/dbraw/zinc/19/74/37/651197437.db2.gz KKZONPSPXYIUPB-GFCCVEGCSA-N 0 3 296.773 2.859 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015258616 651198270 /nfs/dbraw/zinc/19/82/70/651198270.db2.gz HPSHGRQSMCBRIW-SNVBAGLBSA-N 0 3 299.827 2.567 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001015646280 651207062 /nfs/dbraw/zinc/20/70/62/651207062.db2.gz NZETZLZVXBIUJL-KRWDZBQOSA-N 0 3 286.419 2.613 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CC3CC(F)(F)C3)C2)C1 ZINC001015676179 651209017 /nfs/dbraw/zinc/20/90/17/651209017.db2.gz IRFQTRUBGBMCGC-CYBMUJFWSA-N 0 3 298.377 2.579 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001015984683 651219610 /nfs/dbraw/zinc/21/96/10/651219610.db2.gz NYDIEPCUCDLYRI-ZDUSSCGKSA-N 0 3 276.380 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001016035218 651221485 /nfs/dbraw/zinc/22/14/85/651221485.db2.gz SEPFSMRFJHWXHQ-KKUMJFAQSA-N 0 3 264.413 2.579 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001016222433 651228902 /nfs/dbraw/zinc/22/89/02/651228902.db2.gz OTTGKIYRINXNGU-SFHVURJKSA-N 0 3 298.430 2.713 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001016299208 651229177 /nfs/dbraw/zinc/22/91/77/651229177.db2.gz XDRZVSUKRPONBG-XJKSGUPXSA-N 0 3 290.382 2.696 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016378893 651233039 /nfs/dbraw/zinc/23/30/39/651233039.db2.gz VRKDCEDQTMEIQP-CYBMUJFWSA-N 0 3 276.380 2.783 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001017295156 651249088 /nfs/dbraw/zinc/24/90/88/651249088.db2.gz ZCGCGEVMWKDLTM-IYBDPMFKSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001017433118 651251210 /nfs/dbraw/zinc/25/12/10/651251210.db2.gz XGRSLXAEAULPFC-IYBDPMFKSA-N 0 3 274.408 2.594 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541400 651253747 /nfs/dbraw/zinc/25/37/47/651253747.db2.gz XZSYSSGQUDFUOK-IYBDPMFKSA-N 0 3 274.408 2.738 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001017656375 651255612 /nfs/dbraw/zinc/25/56/12/651255612.db2.gz NBOBTHOFONCZIC-OWCLPIDISA-N 0 3 288.435 2.818 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001018129847 651265743 /nfs/dbraw/zinc/26/57/43/651265743.db2.gz ZOWZXKXFJSZBOY-DFGXFYAUSA-N 0 3 290.451 2.920 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018130045 651265796 /nfs/dbraw/zinc/26/57/96/651265796.db2.gz OSGQWPSNYCBMNZ-QSJFSLAZSA-N 0 3 276.424 2.674 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC2CC2)c1 ZINC000115903673 651277582 /nfs/dbraw/zinc/27/75/82/651277582.db2.gz UOMMDTBVYDQAKK-CQSZACIVSA-N 0 3 270.332 2.833 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935355 782208774 /nfs/dbraw/zinc/20/87/74/782208774.db2.gz CKTSWNKVXGTZQN-JYJNAYRXSA-N 0 3 278.440 2.922 20 30 CFEDHN CCCCCCCCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000379492884 782277614 /nfs/dbraw/zinc/27/76/14/782277614.db2.gz KAEMLTAZZCHFLL-UONOGXRCSA-N 0 3 254.418 2.946 20 30 CFEDHN CCCCCCCCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000379492882 782277921 /nfs/dbraw/zinc/27/79/21/782277921.db2.gz KAEMLTAZZCHFLL-KBPBESRZSA-N 0 3 254.418 2.946 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001086192007 782286043 /nfs/dbraw/zinc/28/60/43/782286043.db2.gz KKFZERZKFNRXNY-HGTKMLMNSA-N 0 3 296.842 2.804 20 30 CFEDHN C=C1CC(C)(C(=O)NCCN(C)CC2=CCCCC2)C1 ZINC001266323664 769962768 /nfs/dbraw/zinc/96/27/68/769962768.db2.gz JWFWDFGNJRDEBL-UHFFFAOYSA-N 0 3 276.424 2.891 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN(CC)C[C@H]1CCCCO1 ZINC001266416722 770111365 /nfs/dbraw/zinc/11/13/65/770111365.db2.gz LIOYSOJWHFTAIE-WBVHZDCISA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001266525792 770271821 /nfs/dbraw/zinc/27/18/21/770271821.db2.gz MSEFJCPJYVXTEX-KGLIPLIRSA-N 0 3 284.419 2.775 20 30 CFEDHN C#CCN1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)C[C@@H]2C1 ZINC001088153156 777853899 /nfs/dbraw/zinc/85/38/99/777853899.db2.gz DKRUYMHKLDXCST-CVEARBPZSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033934418 780833186 /nfs/dbraw/zinc/83/31/86/780833186.db2.gz SVQVEGHDCGORDE-KRWDZBQOSA-N 0 3 298.430 2.809 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NC[C@@H](F)CC)C1 ZINC001208964074 769967563 /nfs/dbraw/zinc/96/75/63/769967563.db2.gz XJFSWYJADDQBGC-QWHCGFSZSA-N 0 3 270.392 2.527 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001266335909 769978080 /nfs/dbraw/zinc/97/80/80/769978080.db2.gz HALIMKMXTUEBHX-GOSISDBHSA-N 0 3 298.430 2.879 20 30 CFEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2nocc2C)C1 ZINC001266349220 770002497 /nfs/dbraw/zinc/00/24/97/770002497.db2.gz BLYZFQQRAXNXJQ-CQSZACIVSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccccc1OC(C)C ZINC001266350343 770005871 /nfs/dbraw/zinc/00/58/71/770005871.db2.gz LGMAPGURWKVCQJ-UHFFFAOYSA-N 0 3 290.407 2.712 20 30 CFEDHN C#CCCCN1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001209265743 770027661 /nfs/dbraw/zinc/02/76/61/770027661.db2.gz HFGXBKSFPFKUIX-SNVBAGLBSA-N 0 3 287.285 2.681 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc2c(cccc2C)o1 ZINC001266365082 770032069 /nfs/dbraw/zinc/03/20/69/770032069.db2.gz MGIUITIWTHOLBG-UHFFFAOYSA-N 0 3 286.375 2.979 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001266377084 770047651 /nfs/dbraw/zinc/04/76/51/770047651.db2.gz OKNYPXRXSAELPO-LJLILKBBSA-N 0 3 296.842 2.922 20 30 CFEDHN C=CCN1CCCCC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001282675843 770071987 /nfs/dbraw/zinc/07/19/87/770071987.db2.gz PLNGHVXQNMUZRV-GFCCVEGCSA-N 0 3 288.382 2.825 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001266492421 770205772 /nfs/dbraw/zinc/20/57/72/770205772.db2.gz OPJXMURMAILQSS-NVXWUHKLSA-N 0 3 286.419 2.947 20 30 CFEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001039188763 770280079 /nfs/dbraw/zinc/28/00/79/770280079.db2.gz ZTFMZTUNVTXTFU-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001266537385 770295631 /nfs/dbraw/zinc/29/56/31/770295631.db2.gz KRCNXNSOLOWHIR-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001039195204 770299050 /nfs/dbraw/zinc/29/90/50/770299050.db2.gz DDKUXMUDENLANV-DLBZAZTESA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2CC23CCC3)CC1 ZINC001167344147 770324411 /nfs/dbraw/zinc/32/44/11/770324411.db2.gz YVTTVRUPGNMAFV-CYBMUJFWSA-N 0 3 296.842 2.805 20 30 CFEDHN C=CCN(CCNC(=O)CC1(c2ccccc2)CC1)C1CC1 ZINC001266595100 770398191 /nfs/dbraw/zinc/39/81/91/770398191.db2.gz XWEIJGMVCVCKHE-UHFFFAOYSA-N 0 3 298.430 2.875 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCCN(C[C@H](F)CC)C2)C1 ZINC001266760338 770586024 /nfs/dbraw/zinc/58/60/24/770586024.db2.gz CLOYBMZSLVRHHC-LSDHHAIUSA-N 0 3 296.430 2.919 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)CCCCCC)C1 ZINC001266766479 770593162 /nfs/dbraw/zinc/59/31/62/770593162.db2.gz GXZZFOQERKHPDP-INIZCTEOSA-N 0 3 278.440 2.808 20 30 CFEDHN C=CCN(CCN1C[C@H]2[C@H](CF)[C@H]2C1)C(=O)OC(C)(C)C ZINC001207203593 770611598 /nfs/dbraw/zinc/61/15/98/770611598.db2.gz JSHAGHUSKDUINS-ZSOGYDGISA-N 0 3 298.402 2.557 20 30 CFEDHN C=CCCCC(=O)N(C)CCNCc1ccc(C)nc1C ZINC001266822145 770648386 /nfs/dbraw/zinc/64/83/86/770648386.db2.gz NFJIVQCQIQEOME-UHFFFAOYSA-N 0 3 289.423 2.603 20 30 CFEDHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001266845476 770669526 /nfs/dbraw/zinc/66/95/26/770669526.db2.gz ZWHMOVOSDQATIP-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C1CCC(C(=O)N2CCCC[C@H]2CNCCF)CC1 ZINC001266875823 770710254 /nfs/dbraw/zinc/71/02/54/770710254.db2.gz ATBVOIZPYPPTRM-HNNXBMFYSA-N 0 3 282.403 2.673 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCc1cnc(C)s1 ZINC001266965597 770775381 /nfs/dbraw/zinc/77/53/81/770775381.db2.gz YKRFXIKRIPMZGD-DGCLKSJQSA-N 0 3 295.452 2.648 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724092811 770782654 /nfs/dbraw/zinc/78/26/54/770782654.db2.gz OWAIVCPNRBACAX-BFHYXJOUSA-N 0 3 295.427 2.962 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001267020795 770819965 /nfs/dbraw/zinc/81/99/65/770819965.db2.gz KRPXBCRMEDJVLH-IRXDYDNUSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)CCC(C)(C)c2ccccc2)C1 ZINC001267027096 770824853 /nfs/dbraw/zinc/82/48/53/770824853.db2.gz UIGBMDGPYIRQOK-KRWDZBQOSA-N 0 3 298.430 2.568 20 30 CFEDHN C#C[C@H]1CCCCN1CCc1nc2ccccc2n1C ZINC000934514560 770937077 /nfs/dbraw/zinc/93/70/77/770937077.db2.gz JTUSTWZQAJSNKM-AWEZNQCLSA-N 0 3 267.376 2.604 20 30 CFEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)C1CCC(=C)CC1 ZINC001267142228 770937762 /nfs/dbraw/zinc/93/77/62/770937762.db2.gz ABJAXQPAMUEEPU-ZDUSSCGKSA-N 0 3 284.831 2.970 20 30 CFEDHN CC(C)(C)c1cc(Nc2cnc(C#N)nc2)ccn1 ZINC001213162495 770952976 /nfs/dbraw/zinc/95/29/76/770952976.db2.gz DKLZFXKPMNOXMP-UHFFFAOYSA-N 0 3 253.309 2.784 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H](C)CC ZINC001279587999 770952930 /nfs/dbraw/zinc/95/29/30/770952930.db2.gz PDFPWABRKPIPJA-YESZJQIVSA-N 0 3 290.451 2.901 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccc(CCC)cc1 ZINC001267213210 773214658 /nfs/dbraw/zinc/21/46/58/773214658.db2.gz DGJXEFYOWANKBF-UHFFFAOYSA-N 0 3 274.408 2.877 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001224149223 775113423 /nfs/dbraw/zinc/11/34/23/775113423.db2.gz PTLFCASNGFDZMU-NVXWUHKLSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001267281122 775147235 /nfs/dbraw/zinc/14/72/35/775147235.db2.gz YHEVTLTVRFMPKD-LBPRGKRZSA-N 0 3 286.366 2.579 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)C[C@@H]1C=CCCC1 ZINC001267314750 775192739 /nfs/dbraw/zinc/19/27/39/775192739.db2.gz CDXRVGPKDOQOBF-MRXNPFEDSA-N 0 3 276.424 2.584 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)c1ccc(F)c(C)c1 ZINC001267316927 775196244 /nfs/dbraw/zinc/19/62/44/775196244.db2.gz IBTXGTOHZMKORC-UHFFFAOYSA-N 0 3 290.382 2.599 20 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290.451 2.922 20 30 CFEDHN C=CCC1(C(=O)N(C)CCNCC#CC)CCCCC1 ZINC001267472479 775371280 /nfs/dbraw/zinc/37/12/80/775371280.db2.gz OFWVLWHTTCMGDH-UHFFFAOYSA-N 0 3 276.424 2.584 20 30 CFEDHN O=c1ccc2c([nH]1)CCC[C@H]2NCC#Cc1ccccc1 ZINC000892490556 775387161 /nfs/dbraw/zinc/38/71/61/775387161.db2.gz VPMZWVOBZGQJAZ-MRXNPFEDSA-N 0 3 278.355 2.806 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892490607 775389023 /nfs/dbraw/zinc/38/90/23/775389023.db2.gz VKCFRDWCMXQUGP-ZBFHGGJFSA-N 0 3 296.370 2.508 20 30 CFEDHN C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC[C@H](C)F ZINC001267533057 775432975 /nfs/dbraw/zinc/43/29/75/775432975.db2.gz QYQAPLMZUMMVOL-SOUVJXGZSA-N 0 3 282.403 2.766 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(CCC)C(=O)C(C)(F)F)C1 ZINC001267537676 775443169 /nfs/dbraw/zinc/44/31/69/775443169.db2.gz CJVFEKNJLLJUCU-CYBMUJFWSA-N 0 3 288.382 2.921 20 30 CFEDHN Cc1cc(Cl)c(C#N)c(-n2nc(CN)c3ccccc32)n1 ZINC001167694961 775498524 /nfs/dbraw/zinc/49/85/24/775498524.db2.gz AGNXASAQQSMHGF-UHFFFAOYSA-N 0 3 297.749 2.713 20 30 CFEDHN C=CC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001167696693 775512807 /nfs/dbraw/zinc/51/28/07/775512807.db2.gz VUBCLMQVOOJPTF-CHWSQXEVSA-N 0 3 268.401 2.892 20 30 CFEDHN CC#CCCCC(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001267588516 775529822 /nfs/dbraw/zinc/52/98/22/775529822.db2.gz VYZUBJCPHIAANK-XMELGKRDSA-N 0 3 296.842 2.713 20 30 CFEDHN NCc1nn(-c2ccccc2CS)c2ccccc12 ZINC001167699885 775531283 /nfs/dbraw/zinc/53/12/83/775531283.db2.gz FNDDBUUQGSTOLK-UHFFFAOYSA-N 0 3 269.373 2.914 20 30 CFEDHN C=C(C)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(F)F ZINC001025185624 775558512 /nfs/dbraw/zinc/55/85/12/775558512.db2.gz USAPHIDTHXBREB-STQMWFEESA-N 0 3 286.366 2.673 20 30 CFEDHN COc1ccc(C#N)cc1OC1CCN(C2CC2)CC1 ZINC001225684152 775558848 /nfs/dbraw/zinc/55/88/48/775558848.db2.gz LEAWFYVNNMCTQT-UHFFFAOYSA-N 0 3 272.348 2.572 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001225703466 775565218 /nfs/dbraw/zinc/56/52/18/775565218.db2.gz VAGKJDXQPAXROK-UHFFFAOYSA-N 0 3 290.451 2.520 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025202623 775570771 /nfs/dbraw/zinc/57/07/71/775570771.db2.gz BKDOWDHZZPABEA-HZPDHXFCSA-N 0 3 276.424 2.511 20 30 CFEDHN CC(C)C#CC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001267599502 775575270 /nfs/dbraw/zinc/57/52/70/775575270.db2.gz RDBMNZIMLSJZOL-RUDMXATFSA-N 0 3 296.842 2.569 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025288897 775589235 /nfs/dbraw/zinc/58/92/35/775589235.db2.gz MDFLNHMKZRCLJK-LSDHHAIUSA-N 0 3 276.424 2.511 20 30 CFEDHN Cc1ccc(C#N)c(O[C@H]2CCCN(C(C)C)C2)n1 ZINC001225865763 775617131 /nfs/dbraw/zinc/61/71/31/775617131.db2.gz KEAHQPIAEWKXIO-AWEZNQCLSA-N 0 3 259.353 2.513 20 30 CFEDHN CC(C)(CN1CCCC1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000407207446 775676048 /nfs/dbraw/zinc/67/60/48/775676048.db2.gz FBUNRTJAJTVLBV-UHFFFAOYSA-N 0 3 294.380 2.814 20 30 CFEDHN CC(C)CO[C@@H]1C[C@@H](NCC(C)(C)C#N)C1(C)C ZINC000122305199 775690369 /nfs/dbraw/zinc/69/03/69/775690369.db2.gz YCRGQURBLBNRCN-CHWSQXEVSA-N 0 3 252.402 2.965 20 30 CFEDHN CC(C)[N@@H+]1CCC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113771 775704251 /nfs/dbraw/zinc/70/42/51/775704251.db2.gz ACIXAUZGIMGPHG-VGVSSDJJSA-N 0 3 262.353 2.746 20 30 CFEDHN CC(C)[N@H+]1CCC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113771 775704258 /nfs/dbraw/zinc/70/42/58/775704258.db2.gz ACIXAUZGIMGPHG-VGVSSDJJSA-N 0 3 262.353 2.746 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC001025609170 775707547 /nfs/dbraw/zinc/70/75/47/775707547.db2.gz FIDQNHZHFXQMMH-IRXDYDNUSA-N 0 3 298.430 2.767 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CCCF)C1 ZINC001267628250 775713731 /nfs/dbraw/zinc/71/37/31/775713731.db2.gz RZRYDQZKQQSNKR-ZDUSSCGKSA-N 0 3 270.392 2.529 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001267634512 775720832 /nfs/dbraw/zinc/72/08/32/775720832.db2.gz BZASQKXYWHUVPN-INIZCTEOSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(C)n1c2ccccc2nc1O[C@H]1CCCN(C)C1 ZINC001226218907 775741592 /nfs/dbraw/zinc/74/15/92/775741592.db2.gz NZHDWEAGEMDVJN-ZDUSSCGKSA-N 0 3 271.364 3.000 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCCC1 ZINC000122634618 775784028 /nfs/dbraw/zinc/78/40/28/775784028.db2.gz XBLXXRWBIYDUQE-LBPRGKRZSA-N 0 3 267.332 2.940 20 30 CFEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCC)cc1 ZINC001267710824 775800161 /nfs/dbraw/zinc/80/01/61/775800161.db2.gz AHFWPGZIRCMNMW-ROUUACIJSA-N 0 3 296.414 2.757 20 30 CFEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C ZINC001267712373 775801297 /nfs/dbraw/zinc/80/12/97/775801297.db2.gz RIRITYQYLGQBER-KBMXLJTQSA-N 0 3 299.418 2.643 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001267723581 775813291 /nfs/dbraw/zinc/81/32/91/775813291.db2.gz FGDAUTNDWDEDEF-HNNXBMFYSA-N 0 3 278.440 2.807 20 30 CFEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001267736863 775836631 /nfs/dbraw/zinc/83/66/31/775836631.db2.gz OHTQILQZTWPYPY-CQSZACIVSA-N 0 3 291.395 2.534 20 30 CFEDHN N#Cc1cccc(O)c1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001226518578 775856333 /nfs/dbraw/zinc/85/63/33/775856333.db2.gz SLJOWWMVZWOVOK-MRXNPFEDSA-N 0 3 294.354 2.917 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCCOC(C)C)C1 ZINC001267747007 775869300 /nfs/dbraw/zinc/86/93/00/775869300.db2.gz GFKSPDWISWRKOB-OAHLLOKOSA-N 0 3 296.455 2.594 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001267749441 775876594 /nfs/dbraw/zinc/87/65/94/775876594.db2.gz IZJKNMXGFGQZSF-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C ZINC001104939047 775913960 /nfs/dbraw/zinc/91/39/60/775913960.db2.gz HBEUNTSTNLNHJS-DGCLKSJQSA-N 0 3 286.847 2.859 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccco2)C1 ZINC001267776608 775919935 /nfs/dbraw/zinc/91/99/35/775919935.db2.gz LNNSPUVPAMXMQY-LSDHHAIUSA-N 0 3 290.407 2.882 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cnc(C)s1 ZINC001267814388 775954869 /nfs/dbraw/zinc/95/48/69/775954869.db2.gz BZFXIROBZVDHGY-LBPRGKRZSA-N 0 3 295.452 2.648 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)C=C(CC)CC)CC1 ZINC001226877445 776001596 /nfs/dbraw/zinc/00/15/96/776001596.db2.gz XRIUDQLWYNCGFG-UHFFFAOYSA-N 0 3 294.439 2.516 20 30 CFEDHN C=CCNC(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001277173943 776057380 /nfs/dbraw/zinc/05/73/80/776057380.db2.gz NTDVFEMTIXLEOP-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@H](C)C(C)(C)C)cc1 ZINC001267938205 776070389 /nfs/dbraw/zinc/07/03/89/776070389.db2.gz OGRUXDUJWKLDIA-AWEZNQCLSA-N 0 3 286.419 2.708 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@H](c2ccccc2)C(C)C)CC1 ZINC001277183377 776110690 /nfs/dbraw/zinc/11/06/90/776110690.db2.gz OIUUVHOBEUUIAR-KRWDZBQOSA-N 0 3 298.430 2.688 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@@H]21 ZINC001042330729 776135613 /nfs/dbraw/zinc/13/56/13/776135613.db2.gz FSOCZPMPELOITR-RDJZCZTQSA-N 0 3 284.403 2.717 20 30 CFEDHN C#CCCCCC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001125950873 776169370 /nfs/dbraw/zinc/16/93/70/776169370.db2.gz BQBPMDPIRCEXOM-CQSZACIVSA-N 0 3 290.382 2.786 20 30 CFEDHN C=C(C)CN1CC[C@H](c2ccccc2)[C@H](NC(C)=O)C1 ZINC001087417337 776238144 /nfs/dbraw/zinc/23/81/44/776238144.db2.gz CKMZTABWLWGFGU-IAGOWNOFSA-N 0 3 272.392 2.557 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001038734614 776316035 /nfs/dbraw/zinc/31/60/35/776316035.db2.gz AXKRYDIGURUIHE-GFCCVEGCSA-N 0 3 293.798 2.505 20 30 CFEDHN C=CCc1ccc(O[C@H]2CCN(CC)C2)c(OC)c1 ZINC001227926915 776332109 /nfs/dbraw/zinc/33/21/09/776332109.db2.gz LWQLTFBJEZETIS-AWEZNQCLSA-N 0 3 261.365 2.897 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCC1(NCCF)CCCC1 ZINC001268038476 776391973 /nfs/dbraw/zinc/39/19/73/776391973.db2.gz SEAQFQLBRXTADW-CQSZACIVSA-N 0 3 270.392 2.577 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001027704005 776416448 /nfs/dbraw/zinc/41/64/48/776416448.db2.gz IYLWJJYRRKOGSS-AWEZNQCLSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001027721215 776426965 /nfs/dbraw/zinc/42/69/65/776426965.db2.gz FNFGNMBVVRVXTK-OAHLLOKOSA-N 0 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299.802 2.650 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001028001968 776549291 /nfs/dbraw/zinc/54/92/91/776549291.db2.gz BORQBRADLGUTDQ-INIZCTEOSA-N 0 3 299.418 2.729 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028031274 776564386 /nfs/dbraw/zinc/56/43/86/776564386.db2.gz DKXGETCGSSOLTI-JENIJYKNSA-N 0 3 298.430 2.731 20 30 CFEDHN FC(F)(F)[C@H]1CC[C@@H](CNCC#Cc2ccccc2)O1 ZINC000722381910 776564502 /nfs/dbraw/zinc/56/45/02/776564502.db2.gz BWXOKEHDGKKCCU-UONOGXRCSA-N 0 3 283.293 2.738 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001028057072 776575174 /nfs/dbraw/zinc/57/51/74/776575174.db2.gz BQJCVYSTRYWHPT-CQSZACIVSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028080992 776596446 /nfs/dbraw/zinc/59/64/46/776596446.db2.gz KGGFACDDCOGPLK-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001028094934 776614274 /nfs/dbraw/zinc/61/42/74/776614274.db2.gz YIRFEQKHEVNOLT-HNNXBMFYSA-N 0 3 289.423 2.587 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028115032 776635634 /nfs/dbraw/zinc/63/56/34/776635634.db2.gz VHYZMEFGSWCKKX-MRXNPFEDSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C(C)C ZINC001268147025 776651260 /nfs/dbraw/zinc/65/12/60/776651260.db2.gz CNYGMVMJNQKJFQ-CYBMUJFWSA-N 0 3 272.820 2.756 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001028138838 776652918 /nfs/dbraw/zinc/65/29/18/776652918.db2.gz XMYAGMLEYGDQAG-AWEZNQCLSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146582 776658414 /nfs/dbraw/zinc/65/84/14/776658414.db2.gz JKYXZWYDFUXZEA-OWCLPIDISA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028155247 776666654 /nfs/dbraw/zinc/66/66/54/776666654.db2.gz AHFKFQULLHSLGI-KRWDZBQOSA-N 0 3 282.387 2.547 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001028164520 776672511 /nfs/dbraw/zinc/67/25/11/776672511.db2.gz CUAJYCZOTDGSGB-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H]1CCCC12CC2 ZINC001268241268 776719255 /nfs/dbraw/zinc/71/92/55/776719255.db2.gz XSNRDDILSFALBA-CQSZACIVSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C1(CC)CCCC1 ZINC001268254510 776723388 /nfs/dbraw/zinc/72/33/88/776723388.db2.gz SXRAUEWWAKKKSQ-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001268253286 776723374 /nfs/dbraw/zinc/72/33/74/776723374.db2.gz OUNWMNFSFFQMNQ-UHFFFAOYSA-N 0 3 294.345 2.651 20 30 CFEDHN CC(C)N1CCC[C@@H](Oc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229187402 776747214 /nfs/dbraw/zinc/74/72/14/776747214.db2.gz ZZJSVLHBAVKPBV-CYBMUJFWSA-N 0 3 289.335 2.718 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028275443 776785837 /nfs/dbraw/zinc/78/58/37/776785837.db2.gz ZHPXRSYURKCEQK-JYJNAYRXSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001028296580 776839336 /nfs/dbraw/zinc/83/93/36/776839336.db2.gz BEKTUVNKWJWXRH-OAHLLOKOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001028321099 776854591 /nfs/dbraw/zinc/85/45/91/776854591.db2.gz ZIKFJJWUBPWZFA-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001028324755 776855945 /nfs/dbraw/zinc/85/59/45/776855945.db2.gz YBXSISNNTBZXKC-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339169 776863139 /nfs/dbraw/zinc/86/31/39/776863139.db2.gz PREJGANDIYACJD-QGZVFWFLSA-N 0 3 284.403 2.944 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028340748 776864506 /nfs/dbraw/zinc/86/45/06/776864506.db2.gz WTAWUFALWDSOKD-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001028349872 776866724 /nfs/dbraw/zinc/86/67/24/776866724.db2.gz VTABMFFIZAZOGD-CQSZACIVSA-N 0 3 296.370 2.650 20 30 CFEDHN N#Cc1cccc(O[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC001230039491 776948703 /nfs/dbraw/zinc/94/87/03/776948703.db2.gz WSIWWPQYLFDDEL-KRWDZBQOSA-N 0 3 293.370 2.997 20 30 CFEDHN CC(C)[C@@H](C)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001268597754 776992918 /nfs/dbraw/zinc/99/29/18/776992918.db2.gz JBBKORVZDRCLAK-FOSCPCJNSA-N 0 3 299.418 2.612 20 30 CFEDHN CC(C)[C@H](C)C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001268597770 776993200 /nfs/dbraw/zinc/99/32/00/776993200.db2.gz JBBKORVZDRCLAK-XVWMLYKFSA-N 0 3 299.418 2.612 20 30 CFEDHN C#CCNC/C=C\CNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001268601633 776995744 /nfs/dbraw/zinc/99/57/44/776995744.db2.gz WKLBJQVCXAFDOA-CNZFZVQHSA-N 0 3 298.430 2.712 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001075675010 777004406 /nfs/dbraw/zinc/00/44/06/777004406.db2.gz GWWFUXLTOFPEEZ-DLBZAZTESA-N 0 3 288.435 2.986 20 30 CFEDHN CCC[C@H](C)C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001268639271 777005112 /nfs/dbraw/zinc/00/51/12/777005112.db2.gz FVMVKCLWOSSASH-JKSUJKDBSA-N 0 3 286.419 2.569 20 30 CFEDHN C=CCCCC(=O)N[C@H](C)CNCc1ccc(Cl)nc1 ZINC001268659692 777012619 /nfs/dbraw/zinc/01/26/19/777012619.db2.gz ADQRIYKAORXVGG-GFCCVEGCSA-N 0 3 295.814 2.686 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CC ZINC001230563114 777014692 /nfs/dbraw/zinc/01/46/92/777014692.db2.gz XQBRARSQECNCFM-AWEZNQCLSA-N 0 3 254.418 2.900 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc2scnc21 ZINC001268729152 777036370 /nfs/dbraw/zinc/03/63/70/777036370.db2.gz CWEBUCYOOSBDPN-LLVKDONJSA-N 0 3 289.404 2.532 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)COCC ZINC001230691358 777045512 /nfs/dbraw/zinc/04/55/12/777045512.db2.gz CRBOMSATAMMKFW-OAHLLOKOSA-N 0 3 284.444 2.526 20 30 CFEDHN CN(CCCNCc1ccccc1C#N)C(=O)C1CCCC1 ZINC001268775742 777052776 /nfs/dbraw/zinc/05/27/76/777052776.db2.gz ZYLBIJKAJXPIEE-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001230734531 777053160 /nfs/dbraw/zinc/05/31/60/777053160.db2.gz FPMLUIPUIIITDM-HZPDHXFCSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001230759243 777059092 /nfs/dbraw/zinc/05/90/92/777059092.db2.gz QBVBXBQEWMOWHX-ZDUSSCGKSA-N 0 3 295.814 2.781 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCC ZINC001230855284 777075927 /nfs/dbraw/zinc/07/59/27/777075927.db2.gz KVQXIMRSMPUIIK-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)C2 ZINC001268951692 777077125 /nfs/dbraw/zinc/07/71/25/777077125.db2.gz ARENUKYNXPAATL-LPMVOBIJSA-N 0 3 288.435 2.818 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCCCC ZINC001268983872 777084189 /nfs/dbraw/zinc/08/41/89/777084189.db2.gz JPXBDJPFDAAKIU-GJZGRUSLSA-N 0 3 264.413 2.818 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OC ZINC001230967660 777104179 /nfs/dbraw/zinc/10/41/79/777104179.db2.gz PDSCCTGKAQBYPR-GJZGRUSLSA-N 0 3 284.444 2.524 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(CC[C@H](C)F)C2)CCC1 ZINC001269165932 777125898 /nfs/dbraw/zinc/12/58/98/777125898.db2.gz PDNXJSDGHGBNPC-UONOGXRCSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@H]1CCC(F)(F)C1 ZINC001269239753 777146475 /nfs/dbraw/zinc/14/64/75/777146475.db2.gz DRWANYYLIUQFKL-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2ccccc2CCC)C1 ZINC001028678330 777152369 /nfs/dbraw/zinc/15/23/69/777152369.db2.gz GXJPKMWXTBBXBZ-MRXNPFEDSA-N 0 3 298.430 2.714 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCOCC ZINC001231209713 777170569 /nfs/dbraw/zinc/17/05/69/777170569.db2.gz XGRQMMUKHIURJT-INIZCTEOSA-N 0 3 298.471 2.916 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)Cc1sc(C)cc1C ZINC001269338866 777174282 /nfs/dbraw/zinc/17/42/82/777174282.db2.gz VHURSSCRDMOBPV-CQSZACIVSA-N 0 3 292.448 2.674 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231293314 777186097 /nfs/dbraw/zinc/18/60/97/777186097.db2.gz LPUJPPKNFRYUFA-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCC1=CCCCC1 ZINC001231292704 777186434 /nfs/dbraw/zinc/18/64/34/777186434.db2.gz FFLPIZXXJWFOGU-ZBFHGGJFSA-N 0 3 289.423 2.569 20 30 CFEDHN C=CCOC(=O)c1ccc(O[C@@H]2CCCN(C)C2)cc1 ZINC001231303214 777187735 /nfs/dbraw/zinc/18/77/35/777187735.db2.gz QZIDBBNUDNLPMT-OAHLLOKOSA-N 0 3 275.348 2.502 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2csc3ccccc23)C1 ZINC001028720719 777189280 /nfs/dbraw/zinc/18/92/80/777189280.db2.gz IRFPZCOKPDDDDQ-ZDUSSCGKSA-N 0 3 298.411 2.586 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](CC)NCCF)CCCC1 ZINC001269517719 777203224 /nfs/dbraw/zinc/20/32/24/777203224.db2.gz ZNLBMQKGPWJCAW-CYBMUJFWSA-N 0 3 270.392 2.577 20 30 CFEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001269733027 777238081 /nfs/dbraw/zinc/23/80/81/777238081.db2.gz VQDNJQJLWXWLNG-CRAIPNDOSA-N 0 3 290.451 2.616 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3cnccc23)C1 ZINC001231518894 777248412 /nfs/dbraw/zinc/24/84/12/777248412.db2.gz POHBDHZWGLJRML-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](F)CC1 ZINC001231616363 777280112 /nfs/dbraw/zinc/28/01/12/777280112.db2.gz BARVTLACIQPBRG-AWEZNQCLSA-N 0 3 262.328 2.891 20 30 CFEDHN C#Cc1cccc(CN2CCN(CCCCC)CC2)c1 ZINC001231659950 777298357 /nfs/dbraw/zinc/29/83/57/777298357.db2.gz XWOXWGWEIVZEQX-UHFFFAOYSA-N 0 3 270.420 2.976 20 30 CFEDHN C#Cc1cccc(CN2CCC(c3noc(CC)n3)CC2)c1 ZINC001231660978 777298666 /nfs/dbraw/zinc/29/86/66/777298666.db2.gz MIPUPIHRTHSKRH-UHFFFAOYSA-N 0 3 295.386 2.993 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@H](Oc3cnccn3)C2)c1 ZINC001231663106 777299808 /nfs/dbraw/zinc/29/98/08/777299808.db2.gz JFHQSBSAHMWZDZ-KRWDZBQOSA-N 0 3 293.370 2.501 20 30 CFEDHN C#Cc1cccc(CN2CC[C@H](C(=O)OCCCC)C2)c1 ZINC001231663491 777300339 /nfs/dbraw/zinc/30/03/39/777300339.db2.gz NBZPVRHCVPIOBJ-KRWDZBQOSA-N 0 3 285.387 2.833 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)C(C)=C2CCC2)CC1 ZINC001279128764 777346699 /nfs/dbraw/zinc/34/66/99/777346699.db2.gz GOGAOOCZJPCRSJ-HNNXBMFYSA-N 0 3 288.435 2.727 20 30 CFEDHN O=C1C=C2CN(Cc3ncccc3Cl)CCC2S1 ZINC001231956866 777389135 /nfs/dbraw/zinc/38/91/35/777389135.db2.gz WKAZJMITGKSIML-LBPRGKRZSA-N 0 3 280.780 2.509 20 30 CFEDHN CN(C)Cc1cc(F)cc(CN2CCC[C@@H](C#N)C2)c1 ZINC001232146690 777451170 /nfs/dbraw/zinc/45/11/70/777451170.db2.gz YSRJMIIBNYCZAO-ZDUSSCGKSA-N 0 3 275.371 2.623 20 30 CFEDHN CN(C)Cc1cc(F)cc(CN(CCC#N)CCC#N)c1 ZINC001232149909 777452414 /nfs/dbraw/zinc/45/24/14/777452414.db2.gz PRABMCIGZKOZGJ-UHFFFAOYSA-N 0 3 288.370 2.517 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087490371 777500420 /nfs/dbraw/zinc/50/04/20/777500420.db2.gz RVWORCWSOITDHH-LSDHHAIUSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001087491372 777501821 /nfs/dbraw/zinc/50/18/21/777501821.db2.gz UPFMLPXKUGLSQB-QWHCGFSZSA-N 0 3 278.421 2.907 20 30 CFEDHN C#CC1CC[NH+](Cc2ccc([O-])c3ncccc23)CC1 ZINC001232277146 777505500 /nfs/dbraw/zinc/50/55/00/777505500.db2.gz KPKZAPIKRKTPNU-UHFFFAOYSA-N 0 3 266.344 2.786 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001087494462 777513212 /nfs/dbraw/zinc/51/32/12/777513212.db2.gz SBHLKGLSMHYNOQ-UONOGXRCSA-N 0 3 276.380 2.747 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C[C@H](C=C)CC)CC2 ZINC001270857306 777531679 /nfs/dbraw/zinc/53/16/79/777531679.db2.gz HSPGJBNTYBNYNI-MRXNPFEDSA-N 0 3 288.435 2.536 20 30 CFEDHN C#CC1CCN(Cc2cc(OC)ccc2OCC)CC1 ZINC001232385912 777543202 /nfs/dbraw/zinc/54/32/02/777543202.db2.gz XPVQIJUWNQUQFI-UHFFFAOYSA-N 0 3 273.376 2.939 20 30 CFEDHN Cc1ncc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)[nH]1 ZINC001232464842 777570583 /nfs/dbraw/zinc/57/05/83/777570583.db2.gz FCHBQQIHWPTAJU-KRWDZBQOSA-N 0 3 296.374 2.633 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cscc2C)[C@H]1CC ZINC001087534509 777609624 /nfs/dbraw/zinc/60/96/24/777609624.db2.gz ZXOVSLLGWYXTAW-UONOGXRCSA-N 0 3 278.421 2.825 20 30 CFEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCc2ccoc2)C1 ZINC001270949538 777612114 /nfs/dbraw/zinc/61/21/14/777612114.db2.gz GQZGMWLNJLUNPH-KRWDZBQOSA-N 0 3 290.407 2.617 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)CNCc1cccnc1 ZINC001271058763 777639383 /nfs/dbraw/zinc/63/93/83/777639383.db2.gz DPLJDNFYTHTLOS-AWEZNQCLSA-N 0 3 289.423 2.620 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1CC ZINC001087597430 777664879 /nfs/dbraw/zinc/66/48/79/777664879.db2.gz HBVRVVWSQCPHKP-LSDHHAIUSA-N 0 3 287.407 2.661 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](N3CCCC3)[C@@H](F)C2)s1 ZINC001232847557 777691594 /nfs/dbraw/zinc/69/15/94/777691594.db2.gz WNUZTNSMCRDUHW-GJZGRUSLSA-N 0 3 293.411 2.628 20 30 CFEDHN N#C[C@H]1CCCN(Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232866231 777698261 /nfs/dbraw/zinc/69/82/61/777698261.db2.gz SAQBHBLJXXQKRH-LBPRGKRZSA-N 0 3 269.348 2.999 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ncccc2Cl)[C@H]1CC ZINC001087804822 777702536 /nfs/dbraw/zinc/70/25/36/777702536.db2.gz XOUSJCJLYBYYCV-QWHCGFSZSA-N 0 3 293.798 2.504 20 30 CFEDHN CO[C@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3C#N)C[C@@H]21 ZINC001232890263 777710363 /nfs/dbraw/zinc/71/03/63/777710363.db2.gz BEPHGENIEHDRGB-COXVUDFISA-N 0 3 288.366 2.944 20 30 CFEDHN O=C1C=C2CN(Cc3ccc4ncoc4c3)CCC2S1 ZINC001232939114 777729507 /nfs/dbraw/zinc/72/95/07/777729507.db2.gz FDFPEKMYDYMNCV-CQSZACIVSA-N 0 3 286.356 2.602 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](C)[C@@](C)(O)CC2)c(C#N)c1 ZINC001232962992 777741126 /nfs/dbraw/zinc/74/11/26/777741126.db2.gz WSXLLWXVFIOFPE-PBHICJAKSA-N 0 3 272.392 2.850 20 30 CFEDHN CCCC[C@@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001126559978 777755745 /nfs/dbraw/zinc/75/57/45/777755745.db2.gz ICUUXRJGWLDMJB-CQSZACIVSA-N 0 3 287.407 2.590 20 30 CFEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC001040051809 777763639 /nfs/dbraw/zinc/76/36/39/777763639.db2.gz ALJMKBYQQKDXEG-INIZCTEOSA-N 0 3 290.432 2.862 20 30 CFEDHN C#CCN1CCC[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001040053683 777772077 /nfs/dbraw/zinc/77/20/77/777772077.db2.gz SJVPXRAEXBLZQH-SFHVURJKSA-N 0 3 288.435 2.514 20 30 CFEDHN Cc1cc(C#N)ccc1CN1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001233082757 777791326 /nfs/dbraw/zinc/79/13/26/777791326.db2.gz XMZQDLXVRDBHDU-GASCZTMLSA-N 0 3 292.329 2.580 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001233080467 777791998 /nfs/dbraw/zinc/79/19/98/777791998.db2.gz YYDWCQHCAFYGCX-RDJZCZTQSA-N 0 3 270.376 2.868 20 30 CFEDHN Cc1c[nH]c(=O)c(CN(C)Cc2cccc(C#N)c2)c1 ZINC001233199026 777825019 /nfs/dbraw/zinc/82/50/19/777825019.db2.gz WVYHXQBBJJFEGE-UHFFFAOYSA-N 0 3 267.332 2.599 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C(C)(C)F)C1 ZINC001088247444 777918442 /nfs/dbraw/zinc/91/84/42/777918442.db2.gz SELGAUYROODUTN-LBPRGKRZSA-N 0 3 290.810 2.848 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC2CC2)C1 ZINC001088249718 777919944 /nfs/dbraw/zinc/91/99/44/777919944.db2.gz YXLAZIFLZHJFLL-CQSZACIVSA-N 0 3 284.831 2.900 20 30 CFEDHN C#CCNCCN(Cc1ccccc1)C(=O)C1(C)CC=CC1 ZINC001271819192 777988862 /nfs/dbraw/zinc/98/88/62/777988862.db2.gz HUUYMFPXEORCKQ-UHFFFAOYSA-N 0 3 296.414 2.594 20 30 CFEDHN CC#CCN1CCC[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001040122978 777989905 /nfs/dbraw/zinc/98/99/05/777989905.db2.gz GBEFBLZWNBNFHV-SFHVURJKSA-N 0 3 288.435 2.514 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C#CC2CC2)C1 ZINC001088311783 777994398 /nfs/dbraw/zinc/99/43/98/777994398.db2.gz GOEZVWYBQNMEDP-HNNXBMFYSA-N 0 3 294.826 2.513 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001088361918 778028035 /nfs/dbraw/zinc/02/80/35/778028035.db2.gz HAOYDFFAMJPYAP-YUTCNCBUSA-N 0 3 284.831 2.756 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088358411 778031374 /nfs/dbraw/zinc/03/13/74/778031374.db2.gz BLRHUMSPUIOGLS-AWEZNQCLSA-N 0 3 284.419 2.919 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CC(C)(C)C1CC1 ZINC001272005765 778109329 /nfs/dbraw/zinc/10/93/29/778109329.db2.gz WYJCJHWLYLZQKJ-UHFFFAOYSA-N 0 3 266.429 2.779 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001233947641 778119444 /nfs/dbraw/zinc/11/94/44/778119444.db2.gz NKVYLIICYHRLCC-BVBGJJFLSA-N 0 3 276.424 2.679 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001233965667 778126017 /nfs/dbraw/zinc/12/60/17/778126017.db2.gz CXNFMUKSIVYGPS-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234029507 778145646 /nfs/dbraw/zinc/14/56/46/778145646.db2.gz HTNWDTKBDZWPEQ-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C/C=C(/C)C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001277831258 778164306 /nfs/dbraw/zinc/16/43/06/778164306.db2.gz KHSZPXDCPZXPJJ-LDXWIKEZSA-N 0 3 296.414 2.585 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234159556 778179725 /nfs/dbraw/zinc/17/97/25/778179725.db2.gz BDFRJGPRZFZKCW-QGZVFWFLSA-N 0 3 290.451 2.925 20 30 CFEDHN C#CC[C@H](C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243845 778192974 /nfs/dbraw/zinc/19/29/74/778192974.db2.gz MCTWISMDZQJQOV-NSHDSACASA-N 0 3 265.328 2.687 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC001088551012 778218530 /nfs/dbraw/zinc/21/85/30/778218530.db2.gz GCLIFGSDTUBSOJ-OCCSQVGLSA-N 0 3 264.413 2.578 20 30 CFEDHN C#C[C@H](Oc1cccc2c1CCN(C)C2)c1ccncc1 ZINC001234424073 778223393 /nfs/dbraw/zinc/22/33/93/778223393.db2.gz OOINPHFXTZMPHC-KRWDZBQOSA-N 0 3 278.355 2.823 20 30 CFEDHN CCN1CCC(Oc2nc3cc(C#N)ccc3o2)CC1 ZINC001234455912 778229932 /nfs/dbraw/zinc/22/99/32/778229932.db2.gz HEZNUTQYDVJEFG-UHFFFAOYSA-N 0 3 271.320 2.563 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CCC ZINC001234562349 778252142 /nfs/dbraw/zinc/25/21/42/778252142.db2.gz HIWQWOJVQSOPAY-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC001088599557 778315899 /nfs/dbraw/zinc/31/58/99/778315899.db2.gz RPGUJYXAAQCUDZ-NEPJUHHUSA-N 0 3 287.363 2.530 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1coc(C(F)F)c1 ZINC001272094020 778320513 /nfs/dbraw/zinc/32/05/13/778320513.db2.gz WRJBZDIQTYJJFS-UHFFFAOYSA-N 0 3 286.322 2.797 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@](C)(CC)CCC ZINC001272138718 778361883 /nfs/dbraw/zinc/36/18/83/778361883.db2.gz YFEBUNAVSQHHSM-MRXNPFEDSA-N 0 3 266.429 2.616 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1C ZINC001088657269 778379096 /nfs/dbraw/zinc/37/90/96/778379096.db2.gz YHPCQMKLPHRPJE-ZACQAIPSSA-N 0 3 288.435 2.725 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235227393 778422150 /nfs/dbraw/zinc/42/21/50/778422150.db2.gz UBZUDIFAUXCASX-STQMWFEESA-N 0 3 288.382 2.777 20 30 CFEDHN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2CCC#N ZINC001277936619 778454429 /nfs/dbraw/zinc/45/44/29/778454429.db2.gz NESHBQSHBBNHHS-HRCADAONSA-N 0 3 263.429 2.875 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccsc1 ZINC000127978748 778465647 /nfs/dbraw/zinc/46/56/47/778465647.db2.gz PGZNMMPOMBFGPK-LBPRGKRZSA-N 0 3 270.313 2.709 20 30 CFEDHN N#CCCN1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001277939371 778467641 /nfs/dbraw/zinc/46/76/41/778467641.db2.gz QCVGTHSTACJSPA-KRWDZBQOSA-N 0 3 286.423 2.606 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CCc1ccsc1 ZINC001235372672 778471019 /nfs/dbraw/zinc/47/10/19/778471019.db2.gz AJGBFCDPWZEWGR-OAHLLOKOSA-N 0 3 292.448 2.790 20 30 CFEDHN C=CCCCCO[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)N2C ZINC001224335646 778473743 /nfs/dbraw/zinc/47/37/43/778473743.db2.gz VGLDKRTVORXCPQ-CAOSSQGBSA-N 0 3 281.396 2.526 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1C ZINC001088763512 778481996 /nfs/dbraw/zinc/48/19/96/778481996.db2.gz KWFKRNZJKVVYDD-HMDCTGQHSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1C ZINC001088823052 778535546 /nfs/dbraw/zinc/53/55/46/778535546.db2.gz UFAUWIKSFAWANJ-RISCZKNCSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccsn1 ZINC001235683250 778535898 /nfs/dbraw/zinc/53/58/98/778535898.db2.gz GBANOAIMMQMOFL-QWHCGFSZSA-N 0 3 293.436 2.644 20 30 CFEDHN C#Cc1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000128638195 778578700 /nfs/dbraw/zinc/57/87/00/778578700.db2.gz PUZWYQOXDGBISW-UHFFFAOYSA-N 0 3 278.355 2.982 20 30 CFEDHN N#Cc1ccc(CN2CCN[C@@H](c3ccccc3)C2)cc1F ZINC001235856167 778582077 /nfs/dbraw/zinc/58/20/77/778582077.db2.gz VLGKBFABIWVVOQ-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)[C@@H]2C1 ZINC001076544729 778595129 /nfs/dbraw/zinc/59/51/29/778595129.db2.gz BZXFHMVULRBCAN-WMLDXEAASA-N 0 3 295.386 2.500 20 30 CFEDHN N#Cc1cc(-c2ccc3[nH]c(N)nc3c2)ccc1F ZINC001235895015 778595807 /nfs/dbraw/zinc/59/58/07/778595807.db2.gz AFDVNZHHUHUOEY-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN N#Cc1cc(-c2ccc3nc(N)[nH]c3c2)ccc1F ZINC001235895015 778595808 /nfs/dbraw/zinc/59/58/08/778595808.db2.gz AFDVNZHHUHUOEY-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)[C@@H]2C1 ZINC001076618449 778597680 /nfs/dbraw/zinc/59/76/80/778597680.db2.gz MFOGIVZFFIPGPW-JKSUJKDBSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000912333086 778720901 /nfs/dbraw/zinc/72/09/01/778720901.db2.gz LIXJTAAOGVOWDO-AWEZNQCLSA-N 0 3 278.421 2.923 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)c(Cl)c2)CCC[C@H]1O ZINC001232112565 778899446 /nfs/dbraw/zinc/89/94/46/778899446.db2.gz XVWUHZGZDMPEGU-IAQYHMDHSA-N 0 3 278.783 2.804 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CO[C@@H](C)CC ZINC001099023122 778921257 /nfs/dbraw/zinc/92/12/57/778921257.db2.gz KICQCXNATWRDBX-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001038563902 778926142 /nfs/dbraw/zinc/92/61/42/778926142.db2.gz MQNICXANHONNTK-CQSZACIVSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@H]1C ZINC001088879793 778932604 /nfs/dbraw/zinc/93/26/04/778932604.db2.gz KGUCCYXZWYPWIR-NRKLIOEPSA-N 0 3 290.451 2.968 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC001088899900 778940009 /nfs/dbraw/zinc/94/00/09/778940009.db2.gz GGAYLCWVDJDUSZ-PWSUYJOCSA-N 0 3 296.823 2.617 20 30 CFEDHN Cc1cccc(F)c1CN1CCC2SC(=O)C=C2C1 ZINC001232490949 778941391 /nfs/dbraw/zinc/94/13/91/778941391.db2.gz UIPRTEYEWCFRTL-CQSZACIVSA-N 0 3 277.364 2.908 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC001088999178 778970876 /nfs/dbraw/zinc/97/08/76/778970876.db2.gz KXQWXQVWVJOTTQ-DOMZBBRYSA-N 0 3 290.794 2.556 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC001089027160 778977485 /nfs/dbraw/zinc/97/74/85/778977485.db2.gz ATELSHGLRLXJNW-HIFRSBDPSA-N 0 3 297.402 2.937 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H]1C ZINC001089027801 778978449 /nfs/dbraw/zinc/97/84/49/778978449.db2.gz MBIGRGMNFQPLEW-OCCSQVGLSA-N 0 3 290.432 2.581 20 30 CFEDHN Cc1ccc(CN2CCNC3=CCCC[C@H]32)cc1C#N ZINC001237224308 779053977 /nfs/dbraw/zinc/05/39/77/779053977.db2.gz DXNKZNPVUWDSOZ-QGZVFWFLSA-N 0 3 267.376 2.708 20 30 CFEDHN C#Cc1cccc(CN2CCNC3=CCCC[C@H]32)c1 ZINC001237224328 779054521 /nfs/dbraw/zinc/05/45/21/779054521.db2.gz FHCTXZXQYYBPLM-QGZVFWFLSA-N 0 3 252.361 2.510 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001278071677 779058226 /nfs/dbraw/zinc/05/82/26/779058226.db2.gz OAGHCKUIGUFALS-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)[C@@H]1CC=C(CN2CC[C@H]3C[C@]32C(=O)N(C)C)CC1 ZINC001278072787 779060147 /nfs/dbraw/zinc/06/01/47/779060147.db2.gz KATQZWTYWAQSRQ-SOLBZPMBSA-N 0 3 288.435 2.842 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233732377 779077602 /nfs/dbraw/zinc/07/76/02/779077602.db2.gz QRESQYFWVFZSNS-KBPBESRZSA-N 0 3 284.469 2.627 20 30 CFEDHN CO[C@H]1CCCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237464701 779113884 /nfs/dbraw/zinc/11/38/84/779113884.db2.gz GAJAJBHUMWUBAN-HNNXBMFYSA-N 0 3 283.375 2.661 20 30 CFEDHN CN(Cc1cn2cc(C#N)ccc2n1)C1CCCC1 ZINC001237615067 779142733 /nfs/dbraw/zinc/14/27/33/779142733.db2.gz TTWDXMOQTIWCLY-UHFFFAOYSA-N 0 3 254.337 2.580 20 30 CFEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046333258 779146884 /nfs/dbraw/zinc/14/68/84/779146884.db2.gz XAMHTXSODILRFL-DAYGRLMNSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046365821 779160165 /nfs/dbraw/zinc/16/01/65/779160165.db2.gz AEDZFHJNTLKBSR-TZMCWYRMSA-N 0 3 286.366 2.579 20 30 CFEDHN CC(C)CN1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237747411 779173689 /nfs/dbraw/zinc/17/36/89/779173689.db2.gz BCTVSLCTGIMJCF-UHFFFAOYSA-N 0 3 291.826 2.985 20 30 CFEDHN CCN(CCn1cccn1)Cc1cc(Cl)cc(C#N)c1 ZINC001237751500 779174544 /nfs/dbraw/zinc/17/45/44/779174544.db2.gz LFSPCTHRPYWURP-UHFFFAOYSA-N 0 3 288.782 2.930 20 30 CFEDHN C#CCN1CCC2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)CC1 ZINC001040746776 779185004 /nfs/dbraw/zinc/18/50/04/779185004.db2.gz HXAUTEKAXDDVNZ-HNNXBMFYSA-N 0 3 290.451 2.616 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCC[C@H]1CCCC1(F)F ZINC001122128887 779187478 /nfs/dbraw/zinc/18/74/78/779187478.db2.gz RRSHVAQODKTJOI-VXGBXAGGSA-N 0 3 274.355 2.612 20 30 CFEDHN O=c1cc[nH]cc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001237839095 779192615 /nfs/dbraw/zinc/19/26/15/779192615.db2.gz AMWJCRCWKUHCKQ-UHFFFAOYSA-N 0 3 292.382 2.639 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000176534282 779218501 /nfs/dbraw/zinc/21/85/01/779218501.db2.gz SLMAYNJFQBKZQX-GFCCVEGCSA-N 0 3 286.331 2.699 20 30 CFEDHN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccco1)CC2 ZINC001272584833 779237207 /nfs/dbraw/zinc/23/72/07/779237207.db2.gz MJEKXTXZKLOSBE-HNNXBMFYSA-N 0 3 288.391 2.574 20 30 CFEDHN Cc1ccc(O)cc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238108490 779254652 /nfs/dbraw/zinc/25/46/52/779254652.db2.gz ZZSTXXJTCAJTTN-XMQYKBBCSA-N 0 3 256.349 2.967 20 30 CFEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046789269 779372682 /nfs/dbraw/zinc/37/26/82/779372682.db2.gz LLCYHDOHHFAPEF-BQFCYCMXSA-N 0 3 290.451 2.807 20 30 CFEDHN CCc1cc(CN2CCC(N(C)C(C)=O)CC2)ccc1C#N ZINC001238769493 779386989 /nfs/dbraw/zinc/38/69/89/779386989.db2.gz UJJDNMIVXTVWFK-UHFFFAOYSA-N 0 3 299.418 2.563 20 30 CFEDHN CCc1cc(CN2CCC[C@@H](C(C)=O)C2)ccc1C#N ZINC001238777866 779391406 /nfs/dbraw/zinc/39/14/06/779391406.db2.gz JOSMOAWEMHTFAS-QGZVFWFLSA-N 0 3 270.376 2.922 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)CC(C)(C)C1 ZINC001089417280 779460895 /nfs/dbraw/zinc/46/08/95/779460895.db2.gz XQHZDGKGSGBDQM-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@@H]1CCNC[C@@H]1F ZINC001239227884 779479621 /nfs/dbraw/zinc/47/96/21/779479621.db2.gz UROVKYOWXZKSNC-KBPBESRZSA-N 0 3 287.423 2.594 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001089610755 779543356 /nfs/dbraw/zinc/54/33/56/779543356.db2.gz VEWPEVQKYSWGCM-CQSZACIVSA-N 0 3 289.423 2.811 20 30 CFEDHN CCCCCCCCNC(=S)N1C[C@H](C)NC[C@@H]1C ZINC001239445130 779570381 /nfs/dbraw/zinc/57/03/81/779570381.db2.gz DYNYMNPMFGNPNM-KBPBESRZSA-N 0 3 285.501 2.904 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2coc3ccccc23)C1 ZINC001032225412 779776011 /nfs/dbraw/zinc/77/60/11/779776011.db2.gz QUMXQCATHLDNAY-UHFFFAOYSA-N 0 3 284.359 2.671 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001032266007 779800808 /nfs/dbraw/zinc/80/08/08/779800808.db2.gz IDYWUKPDOWGEQK-HOTGVXAUSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(CC)CC ZINC001032289240 779811783 /nfs/dbraw/zinc/81/17/83/779811783.db2.gz SCHLBJJGQFHQPZ-GJZGRUSLSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032310495 779835065 /nfs/dbraw/zinc/83/50/65/779835065.db2.gz IQUOBRUGCPRXNK-HOTGVXAUSA-N 0 3 276.424 2.818 20 30 CFEDHN CC#CCCCC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107513303 779852994 /nfs/dbraw/zinc/85/29/94/779852994.db2.gz YOIGBDDIGOWNGJ-NVXWUHKLSA-N 0 3 294.414 2.510 20 30 CFEDHN N#Cc1c(F)cc(-c2nccc3c2CCN3)cc1F ZINC001239912724 779856533 /nfs/dbraw/zinc/85/65/33/779856533.db2.gz FSEBOBOHQFUWJO-UHFFFAOYSA-N 0 3 257.243 2.866 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]ccc1C1CC1 ZINC001032438529 779956824 /nfs/dbraw/zinc/95/68/24/779956824.db2.gz FHKCTWWBHKWGMO-GJZGRUSLSA-N 0 3 299.418 2.757 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)n1 ZINC001032490228 779980580 /nfs/dbraw/zinc/98/05/80/779980580.db2.gz HMVYIZRHEOBSAV-HOTGVXAUSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC ZINC001032606746 780067878 /nfs/dbraw/zinc/06/78/78/780067878.db2.gz ZTPQTVWNYBCOMZ-DZKIICNBSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccs1 ZINC001032622866 780081090 /nfs/dbraw/zinc/08/10/90/780081090.db2.gz ZWGZTLWDTGKJNE-IHRRRGAJSA-N 0 3 290.432 2.713 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CNCc1cccc(CO)c1 ZINC000921697042 780175027 /nfs/dbraw/zinc/17/50/27/780175027.db2.gz FYBOAHWGDWAKNQ-UHFFFAOYSA-N 0 3 280.371 2.957 20 30 CFEDHN C[C@]1(C(=O)NCCNCc2cccc(C#N)c2)CC=CCC1 ZINC001128114003 780190421 /nfs/dbraw/zinc/19/04/21/780190421.db2.gz VAWDJNDBJBGUPI-SFHVURJKSA-N 0 3 297.402 2.510 20 30 CFEDHN C=C[C@@H](COC)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC001116620299 780199566 /nfs/dbraw/zinc/19/95/66/780199566.db2.gz IBQCJUBCIGFISD-ZFWWWQNUSA-N 0 3 271.364 2.724 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccs1 ZINC001032775566 780209217 /nfs/dbraw/zinc/20/92/17/780209217.db2.gz QIMWHVLUKHRACE-KBPBESRZSA-N 0 3 290.432 2.542 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C1CC1)C1CC1 ZINC001032804579 780258408 /nfs/dbraw/zinc/25/84/08/780258408.db2.gz NEUBUJQOCVUHIL-HOTGVXAUSA-N 0 3 288.435 2.674 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCCC2)C12CCC2 ZINC001078527432 780266726 /nfs/dbraw/zinc/26/67/26/780266726.db2.gz XWHVWLQESCEHEG-UONOGXRCSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(C)CCC(=O)NCCNCc1csc(C)c1 ZINC001128408789 780428448 /nfs/dbraw/zinc/42/84/48/780428448.db2.gz FYSJADFLLFAKGD-UHFFFAOYSA-N 0 3 266.410 2.619 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2F)C1 ZINC001032873658 780492909 /nfs/dbraw/zinc/49/29/09/780492909.db2.gz AFJOTGLSXJPTJU-ZDUSSCGKSA-N 0 3 276.355 2.548 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032944290 780517011 /nfs/dbraw/zinc/51/70/11/780517011.db2.gz XFFMNWQWDWVTKF-OAHLLOKOSA-N 0 3 262.397 2.596 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2sccc2F)C1 ZINC001033058347 780546991 /nfs/dbraw/zinc/54/69/91/780546991.db2.gz ORNPHFMOVFFYAW-LBPRGKRZSA-N 0 3 296.411 3.000 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(F)c2C)C1 ZINC001033113576 780569486 /nfs/dbraw/zinc/56/94/86/780569486.db2.gz XHCAPXITRXZVKK-AWEZNQCLSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001033132920 780578383 /nfs/dbraw/zinc/57/83/83/780578383.db2.gz AKYGTMYYSBRCRT-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033141742 780579492 /nfs/dbraw/zinc/57/94/92/780579492.db2.gz GQRNLNDYKQJMTA-CQSZACIVSA-N 0 3 287.407 2.615 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@]2(C)CCC[C@@H]2CC)CCC1 ZINC001273106923 780597418 /nfs/dbraw/zinc/59/74/18/780597418.db2.gz UXGDFTZOZFUAJP-RDJZCZTQSA-N 0 3 290.451 2.855 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@](C)(F)CCCC)CCC1 ZINC001273107506 780598319 /nfs/dbraw/zinc/59/83/19/780598319.db2.gz ZRKHYRIYGNWAGJ-OAHLLOKOSA-N 0 3 282.403 2.557 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)C1(Cl)CC1 ZINC000695657817 780640573 /nfs/dbraw/zinc/64/05/73/780640573.db2.gz JNYHHLIVOKDPKX-VIFPVBQESA-N 0 3 252.720 2.947 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001033303217 780644461 /nfs/dbraw/zinc/64/44/61/780644461.db2.gz LESFYQHVKKADOW-OAHLLOKOSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033301529 780644612 /nfs/dbraw/zinc/64/46/12/780644612.db2.gz WPYJNEHBMBQHRL-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339493 780661152 /nfs/dbraw/zinc/66/11/52/780661152.db2.gz VUXDFWGMEJIINM-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033344387 780662658 /nfs/dbraw/zinc/66/26/58/780662658.db2.gz QTJFUDQYJVIEAL-CQSZACIVSA-N 0 3 289.423 2.690 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033376275 780669287 /nfs/dbraw/zinc/66/92/87/780669287.db2.gz RKRZOEXUJUGYPN-INIZCTEOSA-N 0 3 286.419 2.971 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033388781 780673413 /nfs/dbraw/zinc/67/34/13/780673413.db2.gz DWVKMAVYEWHUIJ-INIZCTEOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033441271 780681727 /nfs/dbraw/zinc/68/17/27/780681727.db2.gz WRECKBBXXAMZKI-AWEZNQCLSA-N 0 3 297.402 2.890 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001033468780 780690867 /nfs/dbraw/zinc/69/08/67/780690867.db2.gz HHLDYRHDRPNQFS-KRWDZBQOSA-N 0 3 297.402 2.662 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033588687 780720370 /nfs/dbraw/zinc/72/03/70/780720370.db2.gz HAUZSVJEHFGBLH-SJLPKXTDSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033614418 780734753 /nfs/dbraw/zinc/73/47/53/780734753.db2.gz SNOXIVIYGOTXDG-INIZCTEOSA-N 0 3 272.392 2.717 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033697540 780751638 /nfs/dbraw/zinc/75/16/38/780751638.db2.gz HOVCKJSXGMPCCQ-PQUAAJSLSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695081 780752142 /nfs/dbraw/zinc/75/21/42/780752142.db2.gz WTWQUSNRMILVSF-INIZCTEOSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033689854 780754476 /nfs/dbraw/zinc/75/44/76/780754476.db2.gz AGOSKMOOTKZZCW-CQSZACIVSA-N 0 3 297.402 2.809 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033830135 780800763 /nfs/dbraw/zinc/80/07/63/780800763.db2.gz OERCCIOBDQUQCY-AWEZNQCLSA-N 0 3 290.432 2.616 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033821954 780800807 /nfs/dbraw/zinc/80/08/07/780800807.db2.gz XAVIYQKTVGKKMN-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033970491 780842666 /nfs/dbraw/zinc/84/26/66/780842666.db2.gz XWWCZOZJCVPMMG-GOSISDBHSA-N 0 3 296.414 2.889 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034034735 780862435 /nfs/dbraw/zinc/86/24/35/780862435.db2.gz NEWJYYFXJMLEOU-QGZVFWFLSA-N 0 3 298.430 2.863 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034071704 780877825 /nfs/dbraw/zinc/87/78/25/780877825.db2.gz KORRCDIQAVTXQC-INIZCTEOSA-N 0 3 290.382 2.986 20 30 CFEDHN C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110682 780896444 /nfs/dbraw/zinc/89/64/44/780896444.db2.gz QCEAFFKURVWDMK-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110682 780896450 /nfs/dbraw/zinc/89/64/50/780896450.db2.gz QCEAFFKURVWDMK-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034145992 780906256 /nfs/dbraw/zinc/90/62/56/780906256.db2.gz IFJNHDRMNRRWIB-NCOADZHNSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034166531 780913341 /nfs/dbraw/zinc/91/33/41/780913341.db2.gz XWWWIGDSOIHKRR-HZPDHXFCSA-N 0 3 289.423 2.596 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034167778 780914130 /nfs/dbraw/zinc/91/41/30/780914130.db2.gz OJNSRJLAPDAQCH-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001034184300 780917525 /nfs/dbraw/zinc/91/75/25/780917525.db2.gz ONHIZALSCUQXKC-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccncc2C)C1 ZINC001034207509 780922603 /nfs/dbraw/zinc/92/26/03/780922603.db2.gz MBSURLQELCYUMT-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034208450 780923436 /nfs/dbraw/zinc/92/34/36/780923436.db2.gz QOCSXXVQHCSREA-CQSZACIVSA-N 0 3 290.432 2.664 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279828 780938360 /nfs/dbraw/zinc/93/83/60/780938360.db2.gz PUTUSWCFCKNWPQ-CQSZACIVSA-N 0 3 282.403 2.816 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034298262 780940308 /nfs/dbraw/zinc/94/03/08/780940308.db2.gz VFYUZRFJGYOAOU-QGZVFWFLSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034327067 780945408 /nfs/dbraw/zinc/94/54/08/780945408.db2.gz FLNDYKXEGHUMSI-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034320975 780946053 /nfs/dbraw/zinc/94/60/53/780946053.db2.gz QPKBFVWDCWMIKY-HLLBOEOZSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353116 780949075 /nfs/dbraw/zinc/94/90/75/780949075.db2.gz VFQLAPCDPJHCPC-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCCC(F)(F)CC2)cc1 ZINC000702826439 780956831 /nfs/dbraw/zinc/95/68/31/780956831.db2.gz BIJCDNOIYNJPSB-AWEZNQCLSA-N 0 3 280.318 2.713 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034397136 780966570 /nfs/dbraw/zinc/96/65/70/780966570.db2.gz GKGKQVHGJBTABA-KBPBESRZSA-N 0 3 276.380 2.540 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034425259 780968356 /nfs/dbraw/zinc/96/83/56/780968356.db2.gz PKZKMAMTNYEYCN-GJZGRUSLSA-N 0 3 276.424 2.723 20 30 CFEDHN CN(C)Cc1ccnc(-c2cc(F)cc(C#N)c2)c1 ZINC001241654860 781049701 /nfs/dbraw/zinc/04/97/01/781049701.db2.gz GZGOUGDAUBXVNK-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN CCCCCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000705911519 781151779 /nfs/dbraw/zinc/15/17/79/781151779.db2.gz WGERVYYBHQLCGD-UHFFFAOYSA-N 0 3 260.381 2.990 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C)C1)CC2 ZINC001035811969 781174468 /nfs/dbraw/zinc/17/44/68/781174468.db2.gz LGDFWWBBWMFQOF-CVEARBPZSA-N 0 3 290.451 2.923 20 30 CFEDHN CC(C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001035932886 781191163 /nfs/dbraw/zinc/19/11/63/781191163.db2.gz RJEIBJOHFKABQG-YOEHRIQHSA-N 0 3 299.418 2.541 20 30 CFEDHN N#Cc1ncccc1-c1ncccc1CN1CCCC1 ZINC001242309728 781386759 /nfs/dbraw/zinc/38/67/59/781386759.db2.gz GFBDGOYHRAJBIF-UHFFFAOYSA-N 0 3 264.332 2.611 20 30 CFEDHN COc1cc(CN2CCC[C@H](CF)C2)ccc1C#N ZINC000711424347 781431109 /nfs/dbraw/zinc/43/11/09/781431109.db2.gz YJAGJJZXGFMJKE-CYBMUJFWSA-N 0 3 262.328 2.748 20 30 CFEDHN C#CCNC1(CNC(=O)CCCCc2ccccc2)CCC1 ZINC001280502686 781473974 /nfs/dbraw/zinc/47/39/74/781473974.db2.gz XWKKISWNSQEBPB-UHFFFAOYSA-N 0 3 298.430 2.661 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079475886 781600603 /nfs/dbraw/zinc/60/06/03/781600603.db2.gz FWSPRRDUJVNCAB-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001079620413 781609649 /nfs/dbraw/zinc/60/96/49/781609649.db2.gz JRPSSDAKHDCQFI-GDBMZVCRSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001080301903 781647643 /nfs/dbraw/zinc/64/76/43/781647643.db2.gz LPPPJTPSSZHQDP-UKRRQHHQSA-N 0 3 289.423 2.764 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001080571470 781668089 /nfs/dbraw/zinc/66/80/89/781668089.db2.gz RZNAZHYKXYQLTC-VHDGCEQUSA-N 0 3 290.407 2.704 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001080826659 781681617 /nfs/dbraw/zinc/68/16/17/781681617.db2.gz JTBUPYGWXHAYSR-IUODEOHRSA-N 0 3 292.810 2.966 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001080921728 781686288 /nfs/dbraw/zinc/68/62/88/781686288.db2.gz YUVYENMJXVCMPH-RDTXWAMCSA-N 0 3 298.430 2.802 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001084333411 781791303 /nfs/dbraw/zinc/79/13/03/781791303.db2.gz RDCOJJKFYSKZLE-HZPDHXFCSA-N 0 3 274.408 2.596 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001084792389 781836961 /nfs/dbraw/zinc/83/69/61/781836961.db2.gz AFSXSABAHQYGFP-QZTJIDSGSA-N 0 3 298.430 2.728 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)C[C@@H]21 ZINC001085010041 781881289 /nfs/dbraw/zinc/88/12/89/781881289.db2.gz KABVTTYUNZBVBE-KFWWJZLASA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231147238 781914711 /nfs/dbraw/zinc/91/47/11/781914711.db2.gz ABNATYQQYCLTND-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN CC(C)(C#N)c1ccc(CNCCOCC(F)F)cc1 ZINC000594504968 349433678 /nfs/dbraw/zinc/43/36/78/349433678.db2.gz WGRYCLHENUTVCC-UHFFFAOYSA-N 0 3 282.334 2.859 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CO1 ZINC000594513891 349437271 /nfs/dbraw/zinc/43/72/71/349437271.db2.gz ULNKHCRHRGHUNY-IUODEOHRSA-N 0 3 258.365 2.755 20 30 CFEDHN C[C@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594516099 349438029 /nfs/dbraw/zinc/43/80/29/349438029.db2.gz BATHJARSPGSBIJ-SWLSCSKDSA-N 0 3 256.349 2.704 20 30 CFEDHN C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594516098 349438091 /nfs/dbraw/zinc/43/80/91/349438091.db2.gz BATHJARSPGSBIJ-IUODEOHRSA-N 0 3 256.349 2.704 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594514768 349438161 /nfs/dbraw/zinc/43/81/61/349438161.db2.gz AWSFQAYDQLCCBI-MISXGVKJSA-N 0 3 271.320 2.864 20 30 CFEDHN CCOC[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517134 349439394 /nfs/dbraw/zinc/43/93/94/349439394.db2.gz VNXWJDMYWFFIAI-CYBMUJFWSA-N 0 3 258.365 2.952 20 30 CFEDHN Cc1nsc(N[C@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594603938 349459843 /nfs/dbraw/zinc/45/98/43/349459843.db2.gz WMFHNHWVGQIHIK-STQMWFEESA-N 0 3 276.409 2.752 20 30 CFEDHN C=CCN(CC=C)CCOCc1ccc(OC)cc1 ZINC000594877698 349491467 /nfs/dbraw/zinc/49/14/67/349491467.db2.gz NPAPWMHZUFGNCQ-UHFFFAOYSA-N 0 3 261.365 2.886 20 30 CFEDHN C[C@H]1CC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)C1 ZINC000594708617 349477727 /nfs/dbraw/zinc/47/77/27/349477727.db2.gz ACUYWASBGLQGKV-XNJGSVPQSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@H]1C[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000594708615 349477777 /nfs/dbraw/zinc/47/77/77/349477777.db2.gz ACUYWASBGLQGKV-RPCCPQHDSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000594733226 349482755 /nfs/dbraw/zinc/48/27/55/349482755.db2.gz ZROTYJGAHDHPBN-DOMZBBRYSA-N 0 3 256.349 2.920 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H]3CCCOC3)cc2)CC1 ZINC000594919642 349506529 /nfs/dbraw/zinc/50/65/29/349506529.db2.gz IFSIWTPKGSKTQL-OAHLLOKOSA-N 0 3 256.349 2.510 20 30 CFEDHN Cn1ccc(CNCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594937288 349518462 /nfs/dbraw/zinc/51/84/62/349518462.db2.gz JUZBAAMBOGXMFS-UHFFFAOYSA-N 0 3 265.360 2.870 20 30 CFEDHN C[C@@]1(NCc2ccc(C3(C#N)CC3)cc2)CCOC1 ZINC000594936529 349518531 /nfs/dbraw/zinc/51/85/31/349518531.db2.gz MVFXRVBJTFFSRM-OAHLLOKOSA-N 0 3 256.349 2.510 20 30 CFEDHN C[C@@H]1C[C@@H](CCNCc2ccc(C#N)cc2F)CCO1 ZINC000273046383 192029192 /nfs/dbraw/zinc/02/91/92/192029192.db2.gz JROIVTJWPMCAON-OLZOCXBDSA-N 0 3 276.355 2.992 20 30 CFEDHN CC[C@H](CNCc1ccc(C2(C#N)CC2)cc1)OC ZINC000594940391 349521058 /nfs/dbraw/zinc/52/10/58/349521058.db2.gz BGHGKNKFBDFMRO-OAHLLOKOSA-N 0 3 258.365 2.756 20 30 CFEDHN CC(C)(CC#N)CNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594945625 349523379 /nfs/dbraw/zinc/52/33/79/349523379.db2.gz GWBVRBAHYZLOTL-MRXNPFEDSA-N 0 3 288.391 2.884 20 30 CFEDHN CC(C)n1ccnc1CNCCc1ccc(C#N)cc1 ZINC000594955434 349527398 /nfs/dbraw/zinc/52/73/98/349527398.db2.gz OMCFJRDSTGCZGK-UHFFFAOYSA-N 0 3 268.364 2.668 20 30 CFEDHN C=CCCSCCNCc1ccc(OC)c(O)c1 ZINC000594959747 349530074 /nfs/dbraw/zinc/53/00/74/349530074.db2.gz BLCSKOPMMJKYOI-UHFFFAOYSA-N 0 3 267.394 2.800 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000594986692 349540353 /nfs/dbraw/zinc/54/03/53/349540353.db2.gz GJRSSMXDVCEKBV-CVEARBPZSA-N 0 3 284.403 2.881 20 30 CFEDHN N#Cc1cccc(C2(N[C@H]3COC4(CCC4)C3)CC2)c1 ZINC000595028512 349556456 /nfs/dbraw/zinc/55/64/56/349556456.db2.gz DLIVNUKWARZLRU-OAHLLOKOSA-N 0 3 268.360 2.849 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN2Cc2ccccc2)o1 ZINC000594999169 349543181 /nfs/dbraw/zinc/54/31/81/349543181.db2.gz PAXHUOXHKUKQLH-OAHLLOKOSA-N 0 3 281.359 2.515 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049805 349564742 /nfs/dbraw/zinc/56/47/42/349564742.db2.gz DMRMKNXCKAQPMM-NWDGAFQWSA-N 0 3 294.351 2.581 20 30 CFEDHN C[C@@H]1C[C@H](NCCc2ccc(C#N)cc2)c2nccn21 ZINC000595055200 349566466 /nfs/dbraw/zinc/56/64/66/349566466.db2.gz APORFIRCFASIHP-DOMZBBRYSA-N 0 3 266.348 2.593 20 30 CFEDHN C[C@@H]1C[C@@H](NCCc2ccc(C#N)cc2)c2nccn21 ZINC000595055201 349566644 /nfs/dbraw/zinc/56/66/44/349566644.db2.gz APORFIRCFASIHP-IUODEOHRSA-N 0 3 266.348 2.593 20 30 CFEDHN COC(=O)c1coc([C@H](C)NCCc2ccc(C#N)cc2)c1 ZINC000595055475 349567599 /nfs/dbraw/zinc/56/75/99/349567599.db2.gz FLGFUZFMYPKHKP-LBPRGKRZSA-N 0 3 298.342 2.831 20 30 CFEDHN C=CCCSCCN[C@@H](C)c1cn(C)nc1C ZINC000595057303 349569743 /nfs/dbraw/zinc/56/97/43/349569743.db2.gz CDPSYRGQXTUNLV-NSHDSACASA-N 0 3 253.415 2.688 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCO[C@H]1CC1(F)F ZINC000595067730 349573205 /nfs/dbraw/zinc/57/32/05/349573205.db2.gz HPPIYOIIMFAAHS-CABCVRRESA-N 0 3 292.329 2.949 20 30 CFEDHN C[C@H](NC[C@@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000595088105 349577000 /nfs/dbraw/zinc/57/70/00/349577000.db2.gz GKBATDWLBYMYDO-AAEUAGOBSA-N 0 3 276.355 2.757 20 30 CFEDHN N#CC1(CC(=O)Nc2cnc3c(c2)CNCC3)CCCCC1 ZINC000595252719 349587002 /nfs/dbraw/zinc/58/70/02/349587002.db2.gz FSTUVPXNYBYYHR-UHFFFAOYSA-N 0 3 298.390 2.530 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000595250176 349587403 /nfs/dbraw/zinc/58/74/03/349587403.db2.gz LXBRBKXNJJEJLP-RBSFLKMASA-N 0 3 277.412 2.649 20 30 CFEDHN Cc1cccc2c1CCC[C@@H]2NC(=O)[C@@H](N)CCCC#N ZINC000595258361 349589010 /nfs/dbraw/zinc/58/90/10/349589010.db2.gz CAYKNCZZVZSTLB-HOTGVXAUSA-N 0 3 285.391 2.510 20 30 CFEDHN CN(C[C@H]1CCc2ccccc21)C(=O)[C@@H](N)CCCCC#N ZINC000595258293 349589273 /nfs/dbraw/zinc/58/92/73/349589273.db2.gz BMBKHCJOEZIVBZ-WBVHZDCISA-N 0 3 299.418 2.586 20 30 CFEDHN N#Cc1cccc(OC2CCN(CCCF)CC2)c1 ZINC000127821288 187334778 /nfs/dbraw/zinc/33/47/78/187334778.db2.gz AFLHHWUUWSYLNS-UHFFFAOYSA-N 0 3 262.328 2.761 20 30 CFEDHN CN1CCCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595291203 349591782 /nfs/dbraw/zinc/59/17/82/349591782.db2.gz HRIRRDMSZWFELY-AWEZNQCLSA-N 0 3 263.772 2.542 20 30 CFEDHN CO[C@@H](CN(C)Cc1cccc(C#N)c1)C1CCC1 ZINC000595290985 349592429 /nfs/dbraw/zinc/59/24/29/349592429.db2.gz VNCFZUMWWZRTFA-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN Cc1noc([C@H]2CCCN(CCc3ccc(C#N)cc3)C2)n1 ZINC000595296240 349594627 /nfs/dbraw/zinc/59/46/27/349594627.db2.gz YIWARDVUTZPYCS-INIZCTEOSA-N 0 3 296.374 2.672 20 30 CFEDHN COc1ccc(CN(C)CCc2ccc(C#N)cc2)cn1 ZINC000595387854 349614127 /nfs/dbraw/zinc/61/41/27/349614127.db2.gz DHDPCMNXGYFZET-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccc(C#N)cc1 ZINC000595411316 349618887 /nfs/dbraw/zinc/61/88/87/349618887.db2.gz GQKFTCMTWSHJEP-WBQNTZJQSA-N 0 3 297.402 2.656 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000273116947 192048978 /nfs/dbraw/zinc/04/89/78/192048978.db2.gz YPOYXVMYDVZPPS-IAGOWNOFSA-N 0 3 286.375 2.614 20 30 CFEDHN N#Cc1cc(Cl)ccc1CNC1(CCO)CCCC1 ZINC000595509733 349647160 /nfs/dbraw/zinc/64/71/60/349647160.db2.gz UPAKWELUXNIYIU-UHFFFAOYSA-N 0 3 278.783 2.996 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3ccccn3)C2)C1 ZINC000595500835 349643438 /nfs/dbraw/zinc/64/34/38/349643438.db2.gz FSGUPPUDQIVPQX-KFWWJZLASA-N 0 3 255.365 2.953 20 30 CFEDHN CC[C@H](Cc1ccccc1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000347047825 529427393 /nfs/dbraw/zinc/42/73/93/529427393.db2.gz APBBFMPFBHRSQL-MRXNPFEDSA-N 0 3 299.418 2.502 20 30 CFEDHN CC[C@@H](C)N(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000595593453 349668221 /nfs/dbraw/zinc/66/82/21/349668221.db2.gz QBMROQVWJKJLJD-SNVBAGLBSA-N 0 3 277.368 2.827 20 30 CFEDHN C#CCCN1CCN(CCCc2ccc(C)cc2)CC1 ZINC000273141781 192055217 /nfs/dbraw/zinc/05/52/17/192055217.db2.gz KELJSIPFUKBOMN-UHFFFAOYSA-N 0 3 270.420 2.569 20 30 CFEDHN Cc1cc(CN(C)[C@H](CO)Cc2ccccc2)ccc1C#N ZINC000595592776 349667989 /nfs/dbraw/zinc/66/79/89/349667989.db2.gz PXAPFBFQKNXCHJ-IBGZPJMESA-N 0 3 294.398 2.902 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2cccc(F)c2)C1 ZINC000595611730 349675853 /nfs/dbraw/zinc/67/58/53/349675853.db2.gz NNJSZJOSWQTLEF-ZDUSSCGKSA-N 0 3 289.354 2.780 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@](C)(C2CC2)C1 ZINC000595618282 349678941 /nfs/dbraw/zinc/67/89/41/349678941.db2.gz NDNDTLGLLZGHQO-HNNXBMFYSA-N 0 3 250.386 2.817 20 30 CFEDHN CC(C)(NCCOC[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000595635527 349684435 /nfs/dbraw/zinc/68/44/35/349684435.db2.gz LTVKLMPGJBOXLS-INIZCTEOSA-N 0 3 288.391 2.579 20 30 CFEDHN CCC(C)(C)[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000595638078 349684949 /nfs/dbraw/zinc/68/49/49/349684949.db2.gz BRESAJBABXWPOT-GFCCVEGCSA-N 0 3 273.380 2.911 20 30 CFEDHN N#Cc1sccc1N1CCN(CC2CC=CC2)CC1 ZINC000595634530 349685110 /nfs/dbraw/zinc/68/51/10/349685110.db2.gz BSXBRWALPWFCBY-UHFFFAOYSA-N 0 3 273.405 2.708 20 30 CFEDHN C=CCN(Cc1ccc(CC#N)cc1)[C@@H](C)COC ZINC000595638827 349685402 /nfs/dbraw/zinc/68/54/02/349685402.db2.gz MERVPNBGUPYOPS-AWEZNQCLSA-N 0 3 258.365 2.776 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000595623193 349680683 /nfs/dbraw/zinc/68/06/83/349680683.db2.gz JLTPHGYLIRVUTI-INMHGKMJSA-N 0 3 272.392 2.777 20 30 CFEDHN CO[C@H](Cc1ccccc1)CN1CCC[C@@H](CC#N)C1 ZINC000595623465 349680999 /nfs/dbraw/zinc/68/09/99/349680999.db2.gz QKUQYRBFDFYYGP-DLBZAZTESA-N 0 3 272.392 2.870 20 30 CFEDHN Cc1cc(C)n(CCNC(C)(C)c2cccc(C#N)c2)n1 ZINC000595632088 349683663 /nfs/dbraw/zinc/68/36/63/349683663.db2.gz BZDXXKTYMJIHFH-UHFFFAOYSA-N 0 3 282.391 2.897 20 30 CFEDHN COC[C@H](NCCCCC#N)c1cccc(OC)c1 ZINC000595683713 349699288 /nfs/dbraw/zinc/69/92/88/349699288.db2.gz JCWQXULDOHWFRR-HNNXBMFYSA-N 0 3 262.353 2.666 20 30 CFEDHN C[C@H]1COC2(CCC2)CN1CCCC1(C#N)CCOCC1 ZINC000595684017 349699650 /nfs/dbraw/zinc/69/96/50/349699650.db2.gz YUEFDOFYQLUVBC-HNNXBMFYSA-N 0 3 292.423 2.730 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C)[C@@H]1CCO ZINC000595694663 349705155 /nfs/dbraw/zinc/70/51/55/349705155.db2.gz DSVOWXSELVNVGN-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)[C@H]1CCO ZINC000595698608 349707824 /nfs/dbraw/zinc/70/78/24/349707824.db2.gz NGQFPSUDWCTPIR-YOEHRIQHSA-N 0 3 297.402 2.794 20 30 CFEDHN CCC1(CC)CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000595753778 349724100 /nfs/dbraw/zinc/72/41/00/349724100.db2.gz YKEHXWSYMXQKOD-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1CCO ZINC000595706891 349712154 /nfs/dbraw/zinc/71/21/54/349712154.db2.gz YFIZUWZHMIHERL-CZUORRHYSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)[C@H]1CCO ZINC000595706872 349712436 /nfs/dbraw/zinc/71/24/36/349712436.db2.gz XVSKLVSCKUXTOJ-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN CC[C@H](NCCCCC#N)c1nnc2n1CCCCC2 ZINC000595805352 349736021 /nfs/dbraw/zinc/73/60/21/349736021.db2.gz PGCKUUAYGNQLLI-ZDUSSCGKSA-N 0 3 275.400 2.739 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000595831230 349745585 /nfs/dbraw/zinc/74/55/85/349745585.db2.gz ZFKJRAJFBFFHLA-GOEBONIOSA-N 0 3 297.402 2.564 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000595832213 349745860 /nfs/dbraw/zinc/74/58/60/349745860.db2.gz SXEWHFXOEXBJKU-SQWLQELKSA-N 0 3 256.349 2.832 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000595841841 349751387 /nfs/dbraw/zinc/75/13/87/349751387.db2.gz OVYFEEOLJXVHLE-LJIGWXMPSA-N 0 3 289.423 2.612 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC[S@](=O)c1ccccc1 ZINC000595844197 349752967 /nfs/dbraw/zinc/75/29/67/349752967.db2.gz BWXQALCQJXXEMV-KHYOSLBOSA-N 0 3 275.417 2.977 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)OC)n1 ZINC000595844449 349754306 /nfs/dbraw/zinc/75/43/06/349754306.db2.gz FDKVHACDRKYOTC-OKILXGFUSA-N 0 3 272.348 2.551 20 30 CFEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1(C#N)CCCCC1 ZINC000595856864 349756210 /nfs/dbraw/zinc/75/62/10/349756210.db2.gz GLXHPDUFOBADSC-GOOCMWNKSA-N 0 3 289.423 2.592 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCC1CC1)CC1CC1 ZINC000595872479 349758790 /nfs/dbraw/zinc/75/87/90/349758790.db2.gz ZOCGDSICESGSSS-CQSZACIVSA-N 0 3 291.439 2.507 20 30 CFEDHN C[C@]1(F)CNCCN(c2cccc(C(F)F)c2C#N)C1 ZINC000596014907 349776694 /nfs/dbraw/zinc/77/66/94/349776694.db2.gz WLDHVOFXDJJHPM-AWEZNQCLSA-N 0 3 283.297 2.634 20 30 CFEDHN C[C@@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000596048306 349780867 /nfs/dbraw/zinc/78/08/67/349780867.db2.gz UDMWAHJSNMBWLW-GUYCJALGSA-N 0 3 299.418 2.891 20 30 CFEDHN CN(C)CCN(C)c1cc(C#N)ccc1C(F)(F)F ZINC000126188131 187222778 /nfs/dbraw/zinc/22/27/78/187222778.db2.gz AWSWYSSKYJRDAE-UHFFFAOYSA-N 0 3 271.286 2.575 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC1(C)C ZINC000595913833 349768026 /nfs/dbraw/zinc/76/80/26/349768026.db2.gz VMXLMCOMRXNBEG-TZMCWYRMSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](N)CCSC)CCCC1 ZINC000595938340 349771320 /nfs/dbraw/zinc/77/13/20/349771320.db2.gz OLHKWHLWGIOZHX-ZDUSSCGKSA-N 0 3 284.469 2.710 20 30 CFEDHN Cc1ccc(C#N)nc1NCCN1CCCC[C@H]1C ZINC000596076193 349787881 /nfs/dbraw/zinc/78/78/81/349787881.db2.gz MOLSGLGAYBTWDO-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN CC[C@H]1C[C@H](C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000072697827 346936311 /nfs/dbraw/zinc/93/63/11/346936311.db2.gz VUERWEIETCEUFV-WFASDCNBSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@@H](Nc1nc2ncccc2cc1C#N)C1=CCN(C)CC1 ZINC000596185731 349820711 /nfs/dbraw/zinc/82/07/11/349820711.db2.gz GOGIVMGHAJZLCL-GFCCVEGCSA-N 0 3 293.374 2.564 20 30 CFEDHN CC(C)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000301081453 136422198 /nfs/dbraw/zinc/42/21/98/136422198.db2.gz KVGFTZUKUYYVOD-UHFFFAOYSA-N 0 3 275.371 2.865 20 30 CFEDHN CCCN(CCN1CCCC1)c1nc(C#N)c(Cl)s1 ZINC000596232989 349834642 /nfs/dbraw/zinc/83/46/42/349834642.db2.gz VMISXDUQSHUDBC-UHFFFAOYSA-N 0 3 298.843 2.980 20 30 CFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1nc(C#N)c(Cl)s1 ZINC000596231045 349834666 /nfs/dbraw/zinc/83/46/66/349834666.db2.gz GFRIYTWZNKQLFZ-ONGXEEELSA-N 0 3 296.827 2.731 20 30 CFEDHN CN1CCN(c2ncc(C#N)cc2F)CC12CCCCC2 ZINC000596251380 349841202 /nfs/dbraw/zinc/84/12/02/349841202.db2.gz RLGLTQNFERTHAC-UHFFFAOYSA-N 0 3 288.370 2.547 20 30 CFEDHN C[C@@H]1CN(c2nc(C#N)c(Cl)s2)CCN(C2CC2)C1 ZINC000596255032 349841849 /nfs/dbraw/zinc/84/18/49/349841849.db2.gz IROHCUXBJQLNJJ-VIFPVBQESA-N 0 3 296.827 2.589 20 30 CFEDHN CCN1CCCN(c2ncc(Cl)c(C)c2C#N)[C@@H](C)C1 ZINC000596270294 349848986 /nfs/dbraw/zinc/84/89/86/349848986.db2.gz YWMFUTRXBLNAMO-NSHDSACASA-N 0 3 292.814 2.836 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@H]1CCC[C@@H]1O ZINC000352696734 529823671 /nfs/dbraw/zinc/82/36/71/529823671.db2.gz KGLUQIUTVSJMGU-GJZGRUSLSA-N 0 3 263.768 2.537 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@@H]1CCC[C@H]1O ZINC000352696735 529823758 /nfs/dbraw/zinc/82/37/58/529823758.db2.gz KGLUQIUTVSJMGU-HUUCEWRRSA-N 0 3 263.768 2.537 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000596309319 349859291 /nfs/dbraw/zinc/85/92/91/349859291.db2.gz YLMIZVUVQQDCFZ-CYBMUJFWSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000596308446 349859453 /nfs/dbraw/zinc/85/94/53/349859453.db2.gz SLNTYXKUHLRCIH-GFCCVEGCSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000596305866 349857879 /nfs/dbraw/zinc/85/78/79/349857879.db2.gz BVETXEFCDFPIJZ-HNNXBMFYSA-N 0 3 294.402 2.813 20 30 CFEDHN Cc1cc(C)c(C#N)c(NC2CCN(C3CC3)CC2)n1 ZINC000073350513 346973587 /nfs/dbraw/zinc/97/35/87/346973587.db2.gz WUSAXOLZBJIODN-UHFFFAOYSA-N 0 3 270.380 2.609 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000596337675 349868837 /nfs/dbraw/zinc/86/88/37/349868837.db2.gz ZUHGDOHHGDOMSH-LLVKDONJSA-N 0 3 278.787 2.891 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000273181545 192067296 /nfs/dbraw/zinc/06/72/96/192067296.db2.gz HDNSZPVCQZNMFW-CQSZACIVSA-N 0 3 285.391 2.539 20 30 CFEDHN C#CCOc1cccc(NC(=O)[C@H](C)NC(C)(C)CC)c1 ZINC000273186572 192068612 /nfs/dbraw/zinc/06/86/12/192068612.db2.gz HIWXLQRLPVLCCL-ZDUSSCGKSA-N 0 3 288.391 2.804 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000596441642 349904362 /nfs/dbraw/zinc/90/43/62/349904362.db2.gz PXHVFCDFHIQGGI-AWEZNQCLSA-N 0 3 286.379 2.553 20 30 CFEDHN CCN(CCCSCC#N)CCC(F)(F)F ZINC000074989923 347046482 /nfs/dbraw/zinc/04/64/82/347046482.db2.gz IWOCXPLOBHMWLE-UHFFFAOYSA-N 0 3 254.321 2.908 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCCS1)C(C)C ZINC000075199970 347059846 /nfs/dbraw/zinc/05/98/46/347059846.db2.gz DVQJZLQMKXISLX-HUUCEWRRSA-N 0 3 296.480 2.697 20 30 CFEDHN Cc1nsc(N[C@H](C)CN2CCC(C)CC2)c1C#N ZINC000596486975 349917155 /nfs/dbraw/zinc/91/71/55/349917155.db2.gz CPBOODVWRZIEJV-LLVKDONJSA-N 0 3 278.425 2.856 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)Nc1ncc2c(c1C#N)CCC2 ZINC000596489504 349918190 /nfs/dbraw/zinc/91/81/90/349918190.db2.gz WGPKBSCRMNNECD-CQSZACIVSA-N 0 3 298.434 2.974 20 30 CFEDHN CCN(CC)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000075535969 347083196 /nfs/dbraw/zinc/08/31/96/347083196.db2.gz QOFKRJBNONDUHB-SJORKVTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCOCC(=O)N(C)C[C@H]1CCN1CCCCCCC ZINC001231247632 781925391 /nfs/dbraw/zinc/92/53/91/781925391.db2.gz PTELMGSQUWEBOZ-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)CC(F)(F)F)CC1 ZINC000668369941 539431077 /nfs/dbraw/zinc/43/10/77/539431077.db2.gz IWKFDUDLJJIKDP-UHFFFAOYSA-N 0 3 292.345 2.732 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(c2ccccn2)CC1 ZINC000158908821 534995730 /nfs/dbraw/zinc/99/57/30/534995730.db2.gz VXCURQHOSLGDDT-UHFFFAOYSA-N 0 3 272.396 2.534 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000295106076 199348314 /nfs/dbraw/zinc/34/83/14/199348314.db2.gz WQVNLWWWQOGBHU-HNNXBMFYSA-N 0 3 274.408 2.615 20 30 CFEDHN Cc1nnc(NC[C@H](c2ccccc2)N(C)C)c(C#N)c1C ZINC000024053019 346254088 /nfs/dbraw/zinc/25/40/88/346254088.db2.gz YOOGGCFWYWHCMZ-MRXNPFEDSA-N 0 3 295.390 2.680 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCCCCC1 ZINC000029704509 346283111 /nfs/dbraw/zinc/28/31/11/346283111.db2.gz NNJUBJBBQVCTTR-UHFFFAOYSA-N 0 3 291.439 2.984 20 30 CFEDHN CN1CCN(Cc2ccccc2-c2ccc(C#N)cc2)CC1 ZINC000596639202 349965147 /nfs/dbraw/zinc/96/51/47/349965147.db2.gz LPRBYHGJCFMPBC-UHFFFAOYSA-N 0 3 291.398 2.973 20 30 CFEDHN C[C@H](C1CC1)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000047909218 346460014 /nfs/dbraw/zinc/46/00/14/346460014.db2.gz OAUSOKBKDOAJQC-CYBMUJFWSA-N 0 3 289.423 2.592 20 30 CFEDHN CCCCNC(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000048042612 346464708 /nfs/dbraw/zinc/46/47/08/346464708.db2.gz UYOOSJJGMUSROX-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)c1sccc1C#N ZINC000052034815 346510213 /nfs/dbraw/zinc/51/02/13/346510213.db2.gz PMSDLMIZDCBRLV-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN C[C@@H](CNC(=O)c1sccc1C#N)N1CCCC[C@H]1C ZINC000052030920 346510449 /nfs/dbraw/zinc/51/04/49/346510449.db2.gz YUPZAKLBEBTKQL-NEPJUHHUSA-N 0 3 291.420 2.612 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(CC)CC1 ZINC000052280127 346519915 /nfs/dbraw/zinc/51/99/15/346519915.db2.gz DOXLLZHELFUCOC-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc3c(c2)COC3)nc(C)n1 ZINC000050205682 346490897 /nfs/dbraw/zinc/49/08/97/346490897.db2.gz QQNJAJVEYWLQQN-HNNXBMFYSA-N 0 3 293.326 2.614 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000051064196 346499569 /nfs/dbraw/zinc/49/95/69/346499569.db2.gz QDVWNKVIFDPNNX-KRWDZBQOSA-N 0 3 286.419 2.552 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C)CC#N)N(C)C)cc1 ZINC000596675775 349972856 /nfs/dbraw/zinc/97/28/56/349972856.db2.gz ZNWVHLIWUYVARX-CZUORRHYSA-N 0 3 287.407 2.518 20 30 CFEDHN Cc1ccc([C@H](CNc2ncccc2C#N)N(C)C)cc1 ZINC000064114183 346715119 /nfs/dbraw/zinc/71/51/19/346715119.db2.gz SEOWJERIGSLPKV-INIZCTEOSA-N 0 3 280.375 2.977 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC(C)C)C(C)C ZINC000062486890 346688543 /nfs/dbraw/zinc/68/85/43/346688543.db2.gz JKHALGXZLBWIMX-MRXNPFEDSA-N 0 3 295.471 2.982 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2(C)CCCC2)CC1 ZINC000066599320 346770477 /nfs/dbraw/zinc/77/04/77/346770477.db2.gz SZOKHUWKOVQLLF-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2(C)CCCC2)CC1 ZINC000067305221 346798884 /nfs/dbraw/zinc/79/88/84/346798884.db2.gz MIYVICIJDRKKEU-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN N#CC1(NC(=O)c2ccc(CN3CCCC3)cc2)CCCC1 ZINC000067508768 346806038 /nfs/dbraw/zinc/80/60/38/346806038.db2.gz FUWMQSZPWZRQSD-UHFFFAOYSA-N 0 3 297.402 2.849 20 30 CFEDHN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000076110798 347121334 /nfs/dbraw/zinc/12/13/34/347121334.db2.gz KEBCKMLCXKUYHI-STQMWFEESA-N 0 3 253.349 2.899 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCC1=CCCCC1 ZINC000076736802 347151356 /nfs/dbraw/zinc/15/13/56/347151356.db2.gz DWLQUHDEBNVEPY-UHFFFAOYSA-N 0 3 264.413 2.891 20 30 CFEDHN N#CCCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381681 347189942 /nfs/dbraw/zinc/18/99/42/347189942.db2.gz XRZULMFRSQJDGT-ZDUSSCGKSA-N 0 3 258.321 2.856 20 30 CFEDHN C[C@H]1CCCN(CCNc2c(C#N)nnc3ccccc32)C1 ZINC000077189918 347172025 /nfs/dbraw/zinc/17/20/25/347172025.db2.gz ZOZJTTWWQVKUSW-ZDUSSCGKSA-N 0 3 295.390 2.645 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2CCC)CC1 ZINC000077307289 347185735 /nfs/dbraw/zinc/18/57/35/347185735.db2.gz WVIIDYIUNJOAIR-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000077790217 347214957 /nfs/dbraw/zinc/21/49/57/347214957.db2.gz OFSFCRDXHVURSN-AWEZNQCLSA-N 0 3 295.814 2.649 20 30 CFEDHN CCCN1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000078251365 347234858 /nfs/dbraw/zinc/23/48/58/347234858.db2.gz PQXUQPOCDPIKNX-UHFFFAOYSA-N 0 3 261.344 2.619 20 30 CFEDHN Cc1cc(F)cc2c1ncc(C#N)c2N(C)CCN(C)C ZINC000080684842 347375016 /nfs/dbraw/zinc/37/50/16/347375016.db2.gz DBUYDOYUURMTPI-UHFFFAOYSA-N 0 3 286.354 2.552 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080974460 347391663 /nfs/dbraw/zinc/39/16/63/347391663.db2.gz BHPXPBZYUPGIST-HNNXBMFYSA-N 0 3 266.348 2.661 20 30 CFEDHN C=CCN1CCC(Nc2ccnc3ccncc32)CC1 ZINC000085684791 347482545 /nfs/dbraw/zinc/48/25/45/347482545.db2.gz YVJHMDOSKUXVGD-UHFFFAOYSA-N 0 3 268.364 2.692 20 30 CFEDHN C=CCOc1ccccc1CN1CCC([C@@H](C)O)CC1 ZINC000092969967 347655584 /nfs/dbraw/zinc/65/55/84/347655584.db2.gz HMZMUGODYRPVBY-CQSZACIVSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@](C)(C(=O)OC)C1 ZINC000093813718 347684187 /nfs/dbraw/zinc/68/41/87/347684187.db2.gz YGJYQUJHUOYQDH-QGZVFWFLSA-N 0 3 289.375 2.636 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000111693271 347756078 /nfs/dbraw/zinc/75/60/78/347756078.db2.gz ZEURPSKHTJXKCE-ZDUSSCGKSA-N 0 3 292.448 2.693 20 30 CFEDHN C=CCCCN(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000125012117 347827250 /nfs/dbraw/zinc/82/72/50/347827250.db2.gz GDMMIDVAWNCMDE-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC(C)(C)CC1 ZINC000127067161 347839059 /nfs/dbraw/zinc/83/90/59/347839059.db2.gz INXNYJYTNDQBEJ-INIZCTEOSA-N 0 3 279.428 2.553 20 30 CFEDHN N#Cc1ccc(CN(CCO)CCc2ccccc2)s1 ZINC000126198985 347832941 /nfs/dbraw/zinc/83/29/41/347832941.db2.gz FUDHQZQVLIVDPV-UHFFFAOYSA-N 0 3 286.400 2.657 20 30 CFEDHN C=C(C)CN1CCCN(c2nc(C)cs2)CC1 ZINC000142616674 347934646 /nfs/dbraw/zinc/93/46/46/347934646.db2.gz YIYPWPSLBYJWIV-UHFFFAOYSA-N 0 3 251.399 2.540 20 30 CFEDHN N#CCCCN1CCC[C@@H]1CN1CCc2ccccc21 ZINC000144239798 347940097 /nfs/dbraw/zinc/94/00/97/347940097.db2.gz RACPSZZCZUGUJM-MRXNPFEDSA-N 0 3 269.392 2.817 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCCSCC#N)C1 ZINC000156643498 347995954 /nfs/dbraw/zinc/99/59/54/347995954.db2.gz YELFDGJBGZQMRT-CYBMUJFWSA-N 0 3 298.452 2.687 20 30 CFEDHN C=C(Br)CN[C@@H]1CCOC2(CCC2)C1 ZINC000168281910 348047931 /nfs/dbraw/zinc/04/79/31/348047931.db2.gz PKPILMILYAISHM-SNVBAGLBSA-N 0 3 260.175 2.586 20 30 CFEDHN C=CCSCCNCc1ccc(C(=O)OC)c(F)c1 ZINC000231954219 348209894 /nfs/dbraw/zinc/20/98/94/348209894.db2.gz MBFDRXIDDFTLGO-UHFFFAOYSA-N 0 3 283.368 2.621 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CN(C3CC3)C[C@H]2C)c1C#N ZINC000273343980 192120607 /nfs/dbraw/zinc/12/06/07/192120607.db2.gz OGJUCGCQIXQJEG-YMTOWFKASA-N 0 3 290.798 2.810 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000285537433 348345857 /nfs/dbraw/zinc/34/58/57/348345857.db2.gz FSSKCYSEECTCJI-NVXWUHKLSA-N 0 3 299.418 2.832 20 30 CFEDHN C[C@H](NCC1(O)CCCC1)c1ccc(C#N)cc1F ZINC000305807875 348382111 /nfs/dbraw/zinc/38/21/11/348382111.db2.gz HIKQIJMXHXUKGY-NSHDSACASA-N 0 3 262.328 2.653 20 30 CFEDHN C=CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000292507788 348357571 /nfs/dbraw/zinc/35/75/71/348357571.db2.gz VFXNGTWQCXOZDV-UONOGXRCSA-N 0 3 279.767 2.714 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000309863268 348408061 /nfs/dbraw/zinc/40/80/61/348408061.db2.gz OHTQBWQNEKLYBK-INIZCTEOSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CC(C)C1 ZINC000309823504 348408226 /nfs/dbraw/zinc/40/82/26/348408226.db2.gz QDOYOGGVJCUJPY-SWKXRBFHSA-N 0 3 299.418 2.563 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000311271230 348412538 /nfs/dbraw/zinc/41/25/38/348412538.db2.gz KWXFHZKIPGTIKI-CZUORRHYSA-N 0 3 258.365 2.866 20 30 CFEDHN COC1(C)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000311542553 348413153 /nfs/dbraw/zinc/41/31/53/348413153.db2.gz HHRAOHIIBGVAJR-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC2CC(C)(C)C2)CC1 ZINC000339999279 348454892 /nfs/dbraw/zinc/45/48/92/348454892.db2.gz KTYGYNXLFGXYBJ-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCOCCNCc1cc2ccc(F)cc2[nH]1 ZINC000362915621 348508293 /nfs/dbraw/zinc/50/82/93/348508293.db2.gz CBDUXFJFCBUYJD-UHFFFAOYSA-N 0 3 262.328 2.989 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000379700716 348522232 /nfs/dbraw/zinc/52/22/32/348522232.db2.gz UELSQQLEGJNFAU-HNNXBMFYSA-N 0 3 287.407 2.563 20 30 CFEDHN Cc1cnc(CCN2CCC[C@H](CC#N)C2)c(C)c1 ZINC000401058837 348577455 /nfs/dbraw/zinc/57/74/55/348577455.db2.gz CLJYHNPBCIGWKL-OAHLLOKOSA-N 0 3 257.381 2.867 20 30 CFEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCOC1 ZINC000402601587 348582306 /nfs/dbraw/zinc/58/23/06/348582306.db2.gz RIUWQTLVYHLZGX-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN N#Cc1cccc2c1CN(C(=O)[C@H](N)CC1CCCCC1)C2 ZINC000405101283 348596075 /nfs/dbraw/zinc/59/60/75/348596075.db2.gz HQYMIEDNBURALQ-QGZVFWFLSA-N 0 3 297.402 2.698 20 30 CFEDHN Cc1cc(N[C@H]2CCCN(C)[C@@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413238591 233040523 /nfs/dbraw/zinc/04/05/23/233040523.db2.gz IFVYUOHMOMOWCY-YPMHNXCESA-N 0 3 288.351 2.670 20 30 CFEDHN CC[C@H](C)[C@H](CNCc1ccc(CC#N)cc1)OC ZINC000399037270 348568368 /nfs/dbraw/zinc/56/83/68/348568368.db2.gz PJJQXWMZVBFDQM-BBRMVZONSA-N 0 3 260.381 2.903 20 30 CFEDHN CC(C)N(C)c1ccc(CNCC(C)(C)CC#N)cn1 ZINC000459734072 348625235 /nfs/dbraw/zinc/62/52/35/348625235.db2.gz RHVMXJVUNNMOAF-UHFFFAOYSA-N 0 3 274.412 2.956 20 30 CFEDHN CC(C)(CC#N)CNCc1ccccc1N1CCOCC1 ZINC000459734553 348625252 /nfs/dbraw/zinc/62/52/52/348625252.db2.gz RTZIFNJGUCTSIT-UHFFFAOYSA-N 0 3 287.407 2.553 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000491429919 348628043 /nfs/dbraw/zinc/62/80/43/348628043.db2.gz WLPAFZDQCDPTNJ-PBHICJAKSA-N 0 3 284.403 2.524 20 30 CFEDHN N#CCCCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000588161726 348775183 /nfs/dbraw/zinc/77/51/83/348775183.db2.gz OPNILHKCZFXOCU-UHFFFAOYSA-N 0 3 291.439 2.937 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(C#N)cc2C)C1 ZINC000588215022 348780053 /nfs/dbraw/zinc/78/00/53/348780053.db2.gz HOTVENKPSXTEES-UHFFFAOYSA-N 0 3 258.365 2.866 20 30 CFEDHN C=CCC[C@@H](C)NCc1ccc(C(=O)OCC)o1 ZINC000589198153 348818791 /nfs/dbraw/zinc/81/87/91/348818791.db2.gz WBZFEOOMVQKVGQ-LLVKDONJSA-N 0 3 251.326 2.901 20 30 CFEDHN CC(C)(C)N1C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000589341402 348828471 /nfs/dbraw/zinc/82/84/71/348828471.db2.gz CISNEYAWSUMEQS-ZBFHGGJFSA-N 0 3 297.402 2.535 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000589938204 348864836 /nfs/dbraw/zinc/86/48/36/348864836.db2.gz JOQGTFCLUOMYBE-KOLCDFICSA-N 0 3 290.310 2.555 20 30 CFEDHN CC[C@H]1CN(C)c2ccccc2CN1CCOCCC#N ZINC000590162418 348881073 /nfs/dbraw/zinc/88/10/73/348881073.db2.gz SHZUWIFGFUPVNA-INIZCTEOSA-N 0 3 287.407 2.647 20 30 CFEDHN N#CCCOCCNC1(c2ccc(F)cc2)CCC1 ZINC000590165250 348881125 /nfs/dbraw/zinc/88/11/25/348881125.db2.gz DQSDYLTYHRJDSL-UHFFFAOYSA-N 0 3 262.328 2.725 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3cccnc3)CC2)C1 ZINC000590168672 348881871 /nfs/dbraw/zinc/88/18/71/348881871.db2.gz PHJZVZNRRIUWHS-CZUORRHYSA-N 0 3 255.365 2.953 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000590170252 348881938 /nfs/dbraw/zinc/88/19/38/348881938.db2.gz PLOFVONPMPTLCH-MJBXVCDLSA-N 0 3 278.396 2.590 20 30 CFEDHN C[C@@H](NC[C@H](O)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000590169939 348882110 /nfs/dbraw/zinc/88/21/10/348882110.db2.gz JNGXYFWMVFRTHF-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000590173207 348882618 /nfs/dbraw/zinc/88/26/18/348882618.db2.gz PKNKGUJYCBQLCV-XNRPHZJLSA-N 0 3 274.339 2.971 20 30 CFEDHN C=CCOCCN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000590253806 348887055 /nfs/dbraw/zinc/88/70/55/348887055.db2.gz YXGGPOWTERHNQE-HNNXBMFYSA-N 0 3 277.364 2.717 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccnc(C#N)c2)C12CCCC2 ZINC000590739059 348940315 /nfs/dbraw/zinc/94/03/15/348940315.db2.gz KCNRQTDWRGPPIR-JKSUJKDBSA-N 0 3 285.391 2.781 20 30 CFEDHN C[C@@H]1C[C@H](O)CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590765658 348944661 /nfs/dbraw/zinc/94/46/61/348944661.db2.gz PCLOQHFBRIENBZ-CJNGLKHVSA-N 0 3 272.392 2.690 20 30 CFEDHN CCC#C[C@H](C)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000677479510 539690859 /nfs/dbraw/zinc/69/08/59/539690859.db2.gz NSZGCLPZLFEZSG-HNNXBMFYSA-N 0 3 290.451 2.949 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2nc3c(s2)CCC3)C1 ZINC000590656405 348921860 /nfs/dbraw/zinc/92/18/60/348921860.db2.gz PLOURMQBHYTARB-QWRGUYRKSA-N 0 3 261.394 2.804 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCC[C@H]2C(=O)OC)c1 ZINC000590658129 348923469 /nfs/dbraw/zinc/92/34/69/348923469.db2.gz VZMQYJLUUJINFE-CVEARBPZSA-N 0 3 289.375 2.683 20 30 CFEDHN Cc1nccc([C@@H]2CCCN([C@H](C)CCC#N)C2)n1 ZINC000591011534 348978762 /nfs/dbraw/zinc/97/87/62/348978762.db2.gz CJEHINZKIUZLTM-TZMCWYRMSA-N 0 3 258.369 2.657 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000591026506 348980431 /nfs/dbraw/zinc/98/04/31/348980431.db2.gz CVMHOBBKYHYYFE-IUODEOHRSA-N 0 3 262.328 2.971 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000591819854 349047007 /nfs/dbraw/zinc/04/70/07/349047007.db2.gz MOGMNODRSTYOSB-CQSZACIVSA-N 0 3 284.407 2.728 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000591634776 349035103 /nfs/dbraw/zinc/03/51/03/349035103.db2.gz ZAAQGESRYCPIJR-MWLCHTKSSA-N 0 3 280.274 2.790 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329600603 539712399 /nfs/dbraw/zinc/71/23/99/539712399.db2.gz DYHFXLNQBALNBN-KFWWJZLASA-N 0 3 289.423 2.592 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCC(C)(C)C ZINC000592144494 349090240 /nfs/dbraw/zinc/09/02/40/349090240.db2.gz JSLJPMYTMXQNJZ-XJKSGUPXSA-N 0 3 281.444 2.797 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCC(C)(C)C ZINC000592144491 349090244 /nfs/dbraw/zinc/09/02/44/349090244.db2.gz JSLJPMYTMXQNJZ-BBRMVZONSA-N 0 3 281.444 2.797 20 30 CFEDHN CN(CCC(C)(C)C)CC(=O)NCc1cccc(C#N)c1 ZINC000592144561 349090306 /nfs/dbraw/zinc/09/03/06/349090306.db2.gz NJVZXRRPWDQPCO-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN N#CCCOCCNC1(c2ccccc2F)CCC1 ZINC000592145771 349090554 /nfs/dbraw/zinc/09/05/54/349090554.db2.gz ABOMBNHMFVQGEK-UHFFFAOYSA-N 0 3 262.328 2.725 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2cc3ccccc3s2)C1 ZINC000592150802 349091021 /nfs/dbraw/zinc/09/10/21/349091021.db2.gz GWRDAJILBILSTB-HNNXBMFYSA-N 0 3 272.373 2.752 20 30 CFEDHN Cc1ccc2ccccc2c1CN1CC[C@](O)(CC#N)C1 ZINC000592149675 349091391 /nfs/dbraw/zinc/09/13/91/349091391.db2.gz UFVUAICCJYSIJX-GOSISDBHSA-N 0 3 280.371 2.999 20 30 CFEDHN Cc1ccc(C2(NCC(=O)NC3(C#N)CCC3)CCC2)cc1 ZINC000592189821 349097516 /nfs/dbraw/zinc/09/75/16/349097516.db2.gz XBOALLOQLGAVHH-UHFFFAOYSA-N 0 3 297.402 2.526 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@H]1C1CCC1 ZINC000592198710 349097756 /nfs/dbraw/zinc/09/77/56/349097756.db2.gz QDYJWTAGFIUMHB-RDJZCZTQSA-N 0 3 291.439 2.695 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2cccc(-c3cccnc3)c2)C1 ZINC000592521927 349132007 /nfs/dbraw/zinc/13/20/07/349132007.db2.gz DXWRELYQRUOFOR-GOSISDBHSA-N 0 3 293.370 2.599 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592936533 349178156 /nfs/dbraw/zinc/17/81/56/349178156.db2.gz RMIMEEALTRTKPA-SKDRFNHKSA-N 0 3 296.729 2.539 20 30 CFEDHN CN(CCN1CCCCC1)Cc1cc(F)ccc1C#N ZINC000593113009 349211285 /nfs/dbraw/zinc/21/12/85/349211285.db2.gz VGWIIDWVCFEIGJ-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN COc1ccc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)nc1 ZINC000593041457 349192724 /nfs/dbraw/zinc/19/27/24/349192724.db2.gz PNPJMVGQLRBGJG-DZGCQCFKSA-N 0 3 285.391 2.962 20 30 CFEDHN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000414308891 233222328 /nfs/dbraw/zinc/22/23/28/233222328.db2.gz WYTPGDCUPHEWOD-FZZIBODNSA-N 0 3 298.308 2.897 20 30 CFEDHN CCC(C#N)C(=O)N=c1[nH]n(C2CCCCC2)cc1C ZINC000593595080 349296555 /nfs/dbraw/zinc/29/65/55/349296555.db2.gz BGECJQALQGAXQG-GFCCVEGCSA-N 0 3 274.368 2.607 20 30 CFEDHN CCOC(=O)C(C)(C)CCC[C@H](C)NC[C@H](C)C#N ZINC000593615448 349298853 /nfs/dbraw/zinc/29/88/53/349298853.db2.gz PLMDERRERKCHDZ-OLZOCXBDSA-N 0 3 268.401 2.884 20 30 CFEDHN CCOc1ccc(N(CCC#N)C(=O)C(C#N)CC)cc1 ZINC000593449395 349273346 /nfs/dbraw/zinc/27/33/46/349273346.db2.gz BGQRKAJXEXLLFK-CYBMUJFWSA-N 0 3 285.347 2.882 20 30 CFEDHN COC(=O)CC1(CNC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594032913 349358445 /nfs/dbraw/zinc/35/84/45/349358445.db2.gz DOUCMSTYZIVMAG-UHFFFAOYSA-N 0 3 298.386 2.870 20 30 CFEDHN N#Cc1ccc(C2(NCc3ccnc(N)c3)CCC2)cc1 ZINC000594033576 349358601 /nfs/dbraw/zinc/35/86/01/349358601.db2.gz UKNTVQQUXQNKTR-UHFFFAOYSA-N 0 3 278.359 2.535 20 30 CFEDHN N#CC1(CNC2CCN(c3ccccn3)CC2)CCCC1 ZINC000593653381 349304645 /nfs/dbraw/zinc/30/46/45/349304645.db2.gz ISQIIZKTIFLFKQ-UHFFFAOYSA-N 0 3 284.407 2.724 20 30 CFEDHN C[C@@H](Cc1ccc(O)cc1)NCC1(C#N)CCCC1 ZINC000593654267 349305054 /nfs/dbraw/zinc/30/50/54/349305054.db2.gz ACLASOCHEWJGJJ-ZDUSSCGKSA-N 0 3 258.365 2.997 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC23CCCC3)cc1 ZINC000593757168 349321027 /nfs/dbraw/zinc/32/10/27/349321027.db2.gz DKJZMAWNQPTUAK-MRXNPFEDSA-N 0 3 293.370 2.786 20 30 CFEDHN N#CC1(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000594204696 349394261 /nfs/dbraw/zinc/39/42/61/349394261.db2.gz WWKYWTULVNDNEU-LSDHHAIUSA-N 0 3 289.423 2.594 20 30 CFEDHN N#Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594059052 349367325 /nfs/dbraw/zinc/36/73/25/349367325.db2.gz ONDFKIQSEYBMPH-HZPDHXFCSA-N 0 3 298.390 2.697 20 30 CFEDHN CN1CC[C@@H](NC(=O)CCCCC#N)[C@H]1c1ccccc1 ZINC000594333149 349408352 /nfs/dbraw/zinc/40/83/52/349408352.db2.gz WFKCZXQSZPMUEB-NVXWUHKLSA-N 0 3 285.391 2.632 20 30 CFEDHN Cn1ccc2c1cccc2NC(=O)[C@@H](N)CCCCC#N ZINC000594438414 349422431 /nfs/dbraw/zinc/42/24/31/349422431.db2.gz NQLBFZVQQJAABC-ZDUSSCGKSA-N 0 3 284.363 2.528 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCCC[C@@H]1C ZINC000594437437 349422458 /nfs/dbraw/zinc/42/24/58/349422458.db2.gz WBMTXVQASPNDHS-RRFJBIMHSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000594437983 349422500 /nfs/dbraw/zinc/42/25/00/349422500.db2.gz YGYJDWKDYLDHQQ-AWEZNQCLSA-N 0 3 298.346 2.691 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594437054 349422666 /nfs/dbraw/zinc/42/26/66/349422666.db2.gz SOUPMRXYPSUFGW-OAHLLOKOSA-N 0 3 289.379 2.825 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H](C)c1ccccc1 ZINC000594443475 349423803 /nfs/dbraw/zinc/42/38/03/349423803.db2.gz IEIAPJGZOHSXOS-YCPHGPKFSA-N 0 3 287.407 2.706 20 30 CFEDHN C[C@H]1c2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000594445040 349423868 /nfs/dbraw/zinc/42/38/68/349423868.db2.gz NZGRXLWUQBRXAR-SWLSCSKDSA-N 0 3 271.364 2.501 20 30 CFEDHN Cc1cccc([C@H](C)NC(=O)[C@H](N)CCCCC#N)c1C ZINC000594442103 349423920 /nfs/dbraw/zinc/42/39/20/349423920.db2.gz AUQLYKBPUYRNHK-GOEBONIOSA-N 0 3 287.407 2.892 20 30 CFEDHN CCC[C@]1(C)CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594445087 349424374 /nfs/dbraw/zinc/42/43/74/349424374.db2.gz OYTWCMDQONONSV-GOEBONIOSA-N 0 3 279.428 2.826 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000596972219 350009699 /nfs/dbraw/zinc/00/96/99/350009699.db2.gz SGPCSTRCMBOETG-WBVHZDCISA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000596972121 350009761 /nfs/dbraw/zinc/00/97/61/350009761.db2.gz SGPCSTRCMBOETG-NVXWUHKLSA-N 0 3 299.418 2.707 20 30 CFEDHN N#CC1(c2ccc(CN3CCC(CCO)CC3)cc2)CC1 ZINC000596983241 350011500 /nfs/dbraw/zinc/01/15/00/350011500.db2.gz RTRPUUYENXPTJW-UHFFFAOYSA-N 0 3 284.403 2.836 20 30 CFEDHN C[C@H](O)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596997623 350014269 /nfs/dbraw/zinc/01/42/69/350014269.db2.gz FKCOZBKJPOSVRY-AWEZNQCLSA-N 0 3 284.403 2.835 20 30 CFEDHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)cc1 ZINC000597044014 350020660 /nfs/dbraw/zinc/02/06/60/350020660.db2.gz SILBMKPIRONODF-IUIKQTSFSA-N 0 3 256.349 2.776 20 30 CFEDHN CCN1CCC(N(C)C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597089014 350029223 /nfs/dbraw/zinc/02/92/23/350029223.db2.gz RPKPMDQYTYLMNF-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN CCc1ccc(CN(C)C(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594425334 349416995 /nfs/dbraw/zinc/41/69/95/349416995.db2.gz HUOMDRMEMJMDKG-INIZCTEOSA-N 0 3 287.407 2.619 20 30 CFEDHN CC(C)c1csc(NC(=O)[C@H](N)CCCCC#N)n1 ZINC000594425988 349417766 /nfs/dbraw/zinc/41/77/66/349417766.db2.gz BUCLZFZXXWERIE-SNVBAGLBSA-N 0 3 280.397 2.616 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000594427239 349418419 /nfs/dbraw/zinc/41/84/19/349418419.db2.gz HTYZLDODJMRLBK-ZDUSSCGKSA-N 0 3 297.761 2.507 20 30 CFEDHN Cc1c(Cl)cccc1NC(=O)[C@H](N)CCCCC#N ZINC000594427927 349418513 /nfs/dbraw/zinc/41/85/13/349418513.db2.gz YBBWJJPUBCAQOJ-GFCCVEGCSA-N 0 3 279.771 2.998 20 30 CFEDHN C[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594429878 349419390 /nfs/dbraw/zinc/41/93/90/349419390.db2.gz XPRCOIGDCMRBRJ-ZFWWWQNUSA-N 0 3 285.391 2.938 20 30 CFEDHN Cc1cc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)c(C)s1 ZINC000594429408 349419463 /nfs/dbraw/zinc/41/94/63/349419463.db2.gz TVIKKBSDGYVYHQ-FZMZJTMJSA-N 0 3 293.436 2.953 20 30 CFEDHN Cc1ccc([C@@H](NC(=O)[C@@H](N)CCCCC#N)C2CC2)cc1 ZINC000594428981 349419509 /nfs/dbraw/zinc/41/95/09/349419509.db2.gz PYWUCISOOLKXIP-DLBZAZTESA-N 0 3 299.418 2.974 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594431865 349420484 /nfs/dbraw/zinc/42/04/84/349420484.db2.gz RKJARJCFBTZLSB-OAHLLOKOSA-N 0 3 287.363 2.601 20 30 CFEDHN Cc1cccc([C@H](C)CNC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594432685 349420493 /nfs/dbraw/zinc/42/04/93/349420493.db2.gz FZYGVZYVFWRGHB-ZBFHGGJFSA-N 0 3 287.407 2.626 20 30 CFEDHN Cc1ccccc1[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594432818 349420503 /nfs/dbraw/zinc/42/05/03/349420503.db2.gz BZRNCMALZATRSF-SJORKVTESA-N 0 3 299.418 2.974 20 30 CFEDHN C[C@@H]1CCC[C@H](CCNC(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433586 349420949 /nfs/dbraw/zinc/42/09/49/349420949.db2.gz HMKAVXMBHHYUCI-KFWWJZLASA-N 0 3 279.428 2.730 20 30 CFEDHN CC(C)C[C@@H]1CCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594432674 349420993 /nfs/dbraw/zinc/42/09/93/349420993.db2.gz FXGYDJQKDQVRHY-LSDHHAIUSA-N 0 3 279.428 2.682 20 30 CFEDHN C[C@]1(c2ccccc2)CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594433810 349421390 /nfs/dbraw/zinc/42/13/90/349421390.db2.gz UBOAJENJVYGKSH-WMZOPIPTSA-N 0 3 299.418 2.588 20 30 CFEDHN Cc1cccc2c1CC[C@H]2NC(=O)[C@H](N)CCCCC#N ZINC000594434512 349421751 /nfs/dbraw/zinc/42/17/51/349421751.db2.gz NWCLTQDHQXWJEO-HZPDHXFCSA-N 0 3 285.391 2.510 20 30 CFEDHN CC#CCN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271222712 191012147 /nfs/dbraw/zinc/01/21/47/191012147.db2.gz DBBUCLNHBUPYPJ-CQSZACIVSA-N 0 3 253.349 2.524 20 30 CFEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCOC1 ZINC000597131623 350035285 /nfs/dbraw/zinc/03/52/85/350035285.db2.gz CGGVMDAMQDTRNA-INIZCTEOSA-N 0 3 270.376 2.853 20 30 CFEDHN C[C@@H](NC(C)(C)CNC(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000597131583 350035474 /nfs/dbraw/zinc/03/54/74/350035474.db2.gz AVWWYAGIOCMBOE-UONOGXRCSA-N 0 3 287.407 2.782 20 30 CFEDHN C=CCCNCc1cc(C(=O)OC)ccc1Cl ZINC000597185600 350047344 /nfs/dbraw/zinc/04/73/44/350047344.db2.gz YWBQBQLVKKOJPF-UHFFFAOYSA-N 0 3 253.729 2.792 20 30 CFEDHN COC(=O)c1ccc(CNC(C)(C)c2cccc(C#N)c2)[nH]1 ZINC000597184542 350047375 /nfs/dbraw/zinc/04/73/75/350047375.db2.gz PASFNTYJMMXUQG-UHFFFAOYSA-N 0 3 297.358 2.698 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000597186726 350047947 /nfs/dbraw/zinc/04/79/47/350047947.db2.gz HNNFMRLHAISBET-LBPRGKRZSA-N 0 3 262.353 2.589 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000597358713 350088971 /nfs/dbraw/zinc/08/89/71/350088971.db2.gz SGQHGKSPXBEJRX-HLLBOEOZSA-N 0 3 299.418 2.705 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1OC ZINC000152746603 539750599 /nfs/dbraw/zinc/75/05/99/539750599.db2.gz UYVFDVCBNWTZRK-KFWWJZLASA-N 0 3 289.375 2.670 20 30 CFEDHN C[C@H](CC#N)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000597439751 350097608 /nfs/dbraw/zinc/09/76/08/350097608.db2.gz XMQBZMGTPHFPCJ-CQSZACIVSA-N 0 3 287.407 2.563 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1C(=O)CC1(C#N)CCCCC1 ZINC000597604497 350115197 /nfs/dbraw/zinc/11/51/97/350115197.db2.gz JDIBXKMTJJNWBS-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)CC2(C#N)CCCCC2)C1 ZINC000597758640 350132956 /nfs/dbraw/zinc/13/29/56/350132956.db2.gz XVJKDZLBOPZQFT-HNNXBMFYSA-N 0 3 291.439 2.792 20 30 CFEDHN CC[C@@H](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000597977951 350170072 /nfs/dbraw/zinc/17/00/72/350170072.db2.gz MGBDTCZNOOZTMJ-CZUORRHYSA-N 0 3 283.375 2.793 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000132129810 539774507 /nfs/dbraw/zinc/77/45/07/539774507.db2.gz PQINEHCSBSOKLO-WMZOPIPTSA-N 0 3 298.430 2.947 20 30 CFEDHN C[C@H](C#N)N(C(=O)C[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000598136589 350208264 /nfs/dbraw/zinc/20/82/64/350208264.db2.gz HVGBJJGLOCSXOQ-CZUORRHYSA-N 0 3 285.391 2.582 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1F ZINC000598197362 350211879 /nfs/dbraw/zinc/21/18/79/350211879.db2.gz VWSQMSXXZYAJPR-ZWNOBZJWSA-N 0 3 276.311 2.657 20 30 CFEDHN Cn1ccc(CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000091792381 180257347 /nfs/dbraw/zinc/25/73/47/180257347.db2.gz JJBKAZLHHPLOKZ-UHFFFAOYSA-N 0 3 294.402 2.609 20 30 CFEDHN CC(C)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598381889 350253769 /nfs/dbraw/zinc/25/37/69/350253769.db2.gz RFIREJOBVANSAH-SJORKVTESA-N 0 3 295.386 2.791 20 30 CFEDHN CN(C[C@H]1CC1(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598551067 350282175 /nfs/dbraw/zinc/28/21/75/350282175.db2.gz PHEHBDPDKCMSKZ-JKSUJKDBSA-N 0 3 295.386 2.745 20 30 CFEDHN N#Cc1ccccc1CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000598679349 350309135 /nfs/dbraw/zinc/30/91/35/350309135.db2.gz GZZNBDJYEQYEMO-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN Cc1ccc2c(c1C)OC[C@@H]2NC[C@@H](O)CC(C)(C)C#N ZINC000598721066 350317654 /nfs/dbraw/zinc/31/76/54/350317654.db2.gz RJHWHNOCJJLEJB-ZFWWWQNUSA-N 0 3 288.391 2.627 20 30 CFEDHN CC(C)Oc1ccccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598721801 350318438 /nfs/dbraw/zinc/31/84/38/350318438.db2.gz ZXRZXASNUODNCT-HNNXBMFYSA-N 0 3 290.407 2.864 20 30 CFEDHN COc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1C ZINC000598589294 350287142 /nfs/dbraw/zinc/28/71/42/350287142.db2.gz HTEAVHJQIAFVQL-HNNXBMFYSA-N 0 3 290.407 2.736 20 30 CFEDHN CN(Cc1cccc(F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598588189 350287190 /nfs/dbraw/zinc/28/71/90/350287190.db2.gz ZYQMCRGQLXNOKM-AWEZNQCLSA-N 0 3 264.344 2.558 20 30 CFEDHN C[C@H]1c2ccsc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598588009 350287650 /nfs/dbraw/zinc/28/76/50/350287650.db2.gz WZNQXOIRIKYQQD-RYUDHWBXSA-N 0 3 278.421 2.968 20 30 CFEDHN Cc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598591308 350288152 /nfs/dbraw/zinc/28/81/52/350288152.db2.gz ZAXTVTPNOXYMEL-LBPRGKRZSA-N 0 3 266.410 2.789 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN(CCC(F)(F)F)CC1CC1 ZINC000598592859 350288454 /nfs/dbraw/zinc/28/84/54/350288454.db2.gz MIVHJWVQFVNOLW-GFCCVEGCSA-N 0 3 292.345 2.952 20 30 CFEDHN Cn1cccc1[C@@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598595082 350289100 /nfs/dbraw/zinc/28/91/00/350289100.db2.gz NGWWVQDTUIHLAS-HOCLYGCPSA-N 0 3 289.423 2.853 20 30 CFEDHN Cn1cccc1[C@@H]1CCCCN1C[C@H](O)CC(C)(C)C#N ZINC000598595083 350289139 /nfs/dbraw/zinc/28/91/39/350289139.db2.gz NGWWVQDTUIHLAS-ZBFHGGJFSA-N 0 3 289.423 2.853 20 30 CFEDHN C[C@@H]1c2ccccc2OCCN1C[C@H](O)CC(C)(C)C#N ZINC000598594836 350289433 /nfs/dbraw/zinc/28/94/33/350289433.db2.gz DTRZSZFYAPFVHZ-ZIAGYGMSSA-N 0 3 288.391 2.743 20 30 CFEDHN C[C@@H](c1cccc(O)c1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598596669 350290159 /nfs/dbraw/zinc/29/01/59/350290159.db2.gz SARLATRXQYNYQR-WFASDCNBSA-N 0 3 276.380 2.686 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598598830 350291001 /nfs/dbraw/zinc/29/10/01/350291001.db2.gz DIMBPUZHAIOHLK-KBPBESRZSA-N 0 3 290.407 2.955 20 30 CFEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@@H](O)CC(C)(C)C#N ZINC000598600280 350291325 /nfs/dbraw/zinc/29/13/25/350291325.db2.gz AJVQCXPXLHNLSF-UTUOFQBUSA-N 0 3 292.345 2.950 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000598602552 350292058 /nfs/dbraw/zinc/29/20/58/350292058.db2.gz TWYGZIXMGPUGIX-CVEARBPZSA-N 0 3 285.391 2.922 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](CCC#N)c1ccccc1 ZINC000598602561 350292202 /nfs/dbraw/zinc/29/22/02/350292202.db2.gz TWYGZIXMGPUGIX-HOTGVXAUSA-N 0 3 285.391 2.922 20 30 CFEDHN Cc1cc(C)c2c(c1)CN(C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598606329 350293080 /nfs/dbraw/zinc/29/30/80/350293080.db2.gz CUKSAANGOHPUCX-MRXNPFEDSA-N 0 3 286.419 2.962 20 30 CFEDHN Cc1cc(F)ccc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598611942 350293876 /nfs/dbraw/zinc/29/38/76/350293876.db2.gz WEDHDPZLFUQNFU-OAHLLOKOSA-N 0 3 278.371 2.867 20 30 CFEDHN CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1c(C)noc1C ZINC000598612116 350293946 /nfs/dbraw/zinc/29/39/46/350293946.db2.gz LLPIVPBTTJFKAK-OLZOCXBDSA-N 0 3 279.384 2.633 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](c2ccncc2)C1 ZINC000598617055 350294438 /nfs/dbraw/zinc/29/44/38/350294438.db2.gz PEQULQAJTURDCV-HOTGVXAUSA-N 0 3 287.407 2.562 20 30 CFEDHN CC1CC(CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000598904622 350346247 /nfs/dbraw/zinc/34/62/47/350346247.db2.gz BTNMTKHDSAIEEN-AVVWSFFYSA-N 0 3 270.376 2.921 20 30 CFEDHN CCC[C@@H](CNCc1ccc(C#N)c(OC)c1)OCC ZINC000598989323 350354713 /nfs/dbraw/zinc/35/47/13/350354713.db2.gz GJQVHYAKHIENJW-HNNXBMFYSA-N 0 3 276.380 2.862 20 30 CFEDHN Cc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)ccc1C#N ZINC000599011022 350358354 /nfs/dbraw/zinc/35/83/54/350358354.db2.gz WNCKBUXGAJRNIC-JKSUJKDBSA-N 0 3 256.349 2.524 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000598807844 350331817 /nfs/dbraw/zinc/33/18/17/350331817.db2.gz NNDBEUIIKRRKBS-DZGCQCFKSA-N 0 3 283.375 2.547 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000599151989 350385602 /nfs/dbraw/zinc/38/56/02/350385602.db2.gz AXYLGCONLPTYHI-QLFBSQMISA-N 0 3 293.455 2.799 20 30 CFEDHN CCO[C@H](CN(C)Cc1cccc(C#N)c1)C1CC1 ZINC000599258048 350400140 /nfs/dbraw/zinc/40/01/40/350400140.db2.gz DVQDUEMCKVJJIF-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN Cc1cnn([C@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)c1 ZINC000599424320 350434756 /nfs/dbraw/zinc/43/47/56/350434756.db2.gz OKHCRXWVCVVFGM-KRWDZBQOSA-N 0 3 280.375 2.819 20 30 CFEDHN COc1ccc(F)cc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599350868 350420790 /nfs/dbraw/zinc/42/07/90/350420790.db2.gz VHXXWVFHJCQYBL-YPMHNXCESA-N 0 3 292.354 2.540 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599360877 350423325 /nfs/dbraw/zinc/42/33/25/350423325.db2.gz BUNJTMLKBJLERK-OLZOCXBDSA-N 0 3 274.364 2.544 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C)c(C#N)c2)CCCC1 ZINC000599392797 350430971 /nfs/dbraw/zinc/43/09/71/350430971.db2.gz XQQZTAZJCRGACP-UHFFFAOYSA-N 0 3 286.375 2.832 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC1CCOCC1 ZINC000599439673 350439344 /nfs/dbraw/zinc/43/93/44/350439344.db2.gz BADZAMRBYKSIQF-CQSZACIVSA-N 0 3 288.391 2.747 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000599528740 350451146 /nfs/dbraw/zinc/45/11/46/350451146.db2.gz GRSUJFXDFBFHEX-GFCCVEGCSA-N 0 3 263.337 2.854 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599586570 350460032 /nfs/dbraw/zinc/46/00/32/350460032.db2.gz ARHCOPMFQCESSK-ILXRZTDVSA-N 0 3 297.439 2.613 20 30 CFEDHN Cc1ccc(CN2CCC([C@@H](C)CO)CC2)cc1C#N ZINC000599450553 350440726 /nfs/dbraw/zinc/44/07/26/350440726.db2.gz JRKNLLXRWIFSBP-AWEZNQCLSA-N 0 3 272.392 2.707 20 30 CFEDHN CCN(Cc1ccc(C)c(C#N)c1)[C@@H]1CCCOC1 ZINC000599450974 350440797 /nfs/dbraw/zinc/44/07/97/350440797.db2.gz QBIYIYPKAHMMET-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000599649198 350473485 /nfs/dbraw/zinc/47/34/85/350473485.db2.gz CBOYZWIBEFAPJZ-BBWFWOEESA-N 0 3 298.386 2.722 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CC2)CC1 ZINC000599673332 350478632 /nfs/dbraw/zinc/47/86/32/350478632.db2.gz OSBXULMGJJPUHL-ZBFHGGJFSA-N 0 3 291.439 2.695 20 30 CFEDHN COc1ccc([C@@H]2CCN(CCOCCC#N)C2)cc1F ZINC000599675934 350479111 /nfs/dbraw/zinc/47/91/11/350479111.db2.gz ABSVMIVHBQFRHY-CQSZACIVSA-N 0 3 292.354 2.554 20 30 CFEDHN CC(C)OCCCN1CCc2c(CC#N)cccc2C1 ZINC000599677717 350479597 /nfs/dbraw/zinc/47/95/97/350479597.db2.gz CWPSMFFGDLVSBG-UHFFFAOYSA-N 0 3 272.392 2.926 20 30 CFEDHN CCOCCCN1CCc2c(CC#N)cccc2C1 ZINC000599677601 350479875 /nfs/dbraw/zinc/47/98/75/350479875.db2.gz AEJOEXXEKXWZOC-UHFFFAOYSA-N 0 3 258.365 2.537 20 30 CFEDHN CC(C)(C)[C@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599676552 350479927 /nfs/dbraw/zinc/47/99/27/350479927.db2.gz BJRRQRVLNORTPB-MRXNPFEDSA-N 0 3 272.392 2.518 20 30 CFEDHN CC(=O)NC[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000599693282 350484800 /nfs/dbraw/zinc/48/48/00/350484800.db2.gz YZRZEYOLGNVGMW-INIZCTEOSA-N 0 3 291.439 2.841 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000600185347 350534148 /nfs/dbraw/zinc/53/41/48/350534148.db2.gz LHUITQSUBTVUIN-CYBMUJFWSA-N 0 3 276.380 2.518 20 30 CFEDHN C/C=C/C[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600212143 350540456 /nfs/dbraw/zinc/54/04/56/350540456.db2.gz AQNIPMJSFWZIGM-HSWBROFVSA-N 0 3 295.390 2.779 20 30 CFEDHN N#Cc1ccc(C(=O)N2CCC[C@H](N3CCCCC3)C2)cc1 ZINC000107634876 186182569 /nfs/dbraw/zinc/18/25/69/186182569.db2.gz IFCBVMUKULPLKD-KRWDZBQOSA-N 0 3 297.402 2.649 20 30 CFEDHN N#Cc1cccc(C(=O)N2CCC[C@H](N3CCCCC3)C2)c1 ZINC000107634725 186183013 /nfs/dbraw/zinc/18/30/13/186183013.db2.gz GEHQNLJPLAFACB-KRWDZBQOSA-N 0 3 297.402 2.649 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2cc(C3CC3)ccc2F)CC1 ZINC000600739282 350604051 /nfs/dbraw/zinc/60/40/51/350604051.db2.gz PHMRUEKPODCGLV-HNNXBMFYSA-N 0 3 288.366 2.847 20 30 CFEDHN N#CC1(C[C@@H](O)CN[C@H]2CCCOc3ccccc32)CC1 ZINC000600722911 350601576 /nfs/dbraw/zinc/60/15/76/350601576.db2.gz KPMGKYWLBJANGB-HIFRSBDPSA-N 0 3 286.375 2.545 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN(C)C1CCC1 ZINC000600830800 350617980 /nfs/dbraw/zinc/61/79/80/350617980.db2.gz ZSDUPDFGCBQIRA-CYBMUJFWSA-N 0 3 285.391 2.562 20 30 CFEDHN CC(C)CC[C@@H](O)CNCC1(C#N)CCCCC1 ZINC000600759285 350606598 /nfs/dbraw/zinc/60/65/98/350606598.db2.gz ZUCAXNFZIMZCDF-CQSZACIVSA-N 0 3 252.402 2.847 20 30 CFEDHN C[C@@H](C#N)n1cc(-c2cc(CN(C)C)ccc2F)cn1 ZINC000600790342 350612889 /nfs/dbraw/zinc/61/28/89/350612889.db2.gz JURODWDFPWZOOK-NSHDSACASA-N 0 3 272.327 2.835 20 30 CFEDHN CCN1CCCN(C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000601228997 350703387 /nfs/dbraw/zinc/70/33/87/350703387.db2.gz BQXIYJHXOBWZEH-CYBMUJFWSA-N 0 3 286.379 2.506 20 30 CFEDHN Cc1cc(N2CCN(CCC#N)CC2)c2ccccc2n1 ZINC000601262713 350711641 /nfs/dbraw/zinc/71/16/41/350711641.db2.gz UWPDKLQCTJUQCZ-UHFFFAOYSA-N 0 3 280.375 2.579 20 30 CFEDHN Cc1ccc2nccc(N3CCN(CCC#N)CC3)c2c1 ZINC000601262106 350711746 /nfs/dbraw/zinc/71/17/46/350711746.db2.gz WMZSALVHJBZPBL-UHFFFAOYSA-N 0 3 280.375 2.579 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(=O)[nH]c1 ZINC000601127809 350675893 /nfs/dbraw/zinc/67/58/93/350675893.db2.gz QSDVUUVTSDLADT-MRXNPFEDSA-N 0 3 279.343 2.826 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ncc(C#N)c3ccsc32)CN1C1CC1 ZINC000601127868 350676015 /nfs/dbraw/zinc/67/60/15/350676015.db2.gz TUDQWUVCLSLOAP-CMPLNLGQSA-N 0 3 298.415 2.627 20 30 CFEDHN CN(CCN(C)C1CC1)c1ncc(C#N)c2ccsc21 ZINC000601144567 350681479 /nfs/dbraw/zinc/68/14/79/350681479.db2.gz UWTDAGVINRUFCS-UHFFFAOYSA-N 0 3 286.404 2.698 20 30 CFEDHN CN(C)CCN(c1cc(C#N)nc(C2CC2)n1)C1CCCC1 ZINC000601159050 350684376 /nfs/dbraw/zinc/68/43/76/350684376.db2.gz CYCGLJZVERKIDC-UHFFFAOYSA-N 0 3 299.422 2.536 20 30 CFEDHN COCC#CCN[C@H](C)c1ccc(Br)cc1 ZINC000309666907 539805153 /nfs/dbraw/zinc/80/51/53/539805153.db2.gz UOWQYDIPZDBJHV-LLVKDONJSA-N 0 3 282.181 2.750 20 30 CFEDHN CCC[C@H](CCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000601289064 350717939 /nfs/dbraw/zinc/71/79/39/350717939.db2.gz HFIWIKALLXEYOQ-WCQYABFASA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H](O)C(F)(F)F ZINC000601301111 350719901 /nfs/dbraw/zinc/71/99/01/350719901.db2.gz RDWKGJAIAFVZGX-FZZIBODNSA-N 0 3 298.308 2.837 20 30 CFEDHN CC(C)C1(c2ccccc2)CN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000601960175 350819639 /nfs/dbraw/zinc/81/96/39/350819639.db2.gz QBYBJQFKVCSJLC-QGZVFWFLSA-N 0 3 298.430 2.951 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@H](C(F)F)CC1 ZINC000601969450 350821705 /nfs/dbraw/zinc/82/17/05/350821705.db2.gz DCHJYLZTFQOFFG-NSHDSACASA-N 0 3 260.328 2.672 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000601807173 350779993 /nfs/dbraw/zinc/77/99/93/350779993.db2.gz HKBMJTFHDFHSII-CVEARBPZSA-N 0 3 285.391 2.512 20 30 CFEDHN CCC(C)(C)CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000601931837 350805985 /nfs/dbraw/zinc/80/59/85/350805985.db2.gz DYXFNTIQTUWLMN-AWEZNQCLSA-N 0 3 273.380 2.501 20 30 CFEDHN C[C@H]1C[C@@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602014466 350831259 /nfs/dbraw/zinc/83/12/59/350831259.db2.gz DSYZUULRWLKQEO-RYUDHWBXSA-N 0 3 262.328 2.602 20 30 CFEDHN CC1(C)C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602013783 350831308 /nfs/dbraw/zinc/83/13/08/350831308.db2.gz XATOAKHYKAPNTO-LBPRGKRZSA-N 0 3 262.328 2.745 20 30 CFEDHN CC1(C)C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602013782 350831548 /nfs/dbraw/zinc/83/15/48/350831548.db2.gz XATOAKHYKAPNTO-GFCCVEGCSA-N 0 3 262.328 2.745 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@H]1CCCCN1C1CC1 ZINC000602016680 350832110 /nfs/dbraw/zinc/83/21/10/350832110.db2.gz JCSOUMSZWLFSGL-OAHLLOKOSA-N 0 3 287.382 2.804 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602017414 350832982 /nfs/dbraw/zinc/83/29/82/350832982.db2.gz PYQPDNHNYRVUAW-CJNGLKHVSA-N 0 3 274.339 2.768 20 30 CFEDHN CC1(C)CCCN1CCNCc1cccc(F)c1C#N ZINC000602016955 350833270 /nfs/dbraw/zinc/83/32/70/350833270.db2.gz BOEUJPLERZHLTP-UHFFFAOYSA-N 0 3 275.371 2.661 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCCN2CCCC[C@@H]12 ZINC000602028468 350836053 /nfs/dbraw/zinc/83/60/53/350836053.db2.gz MVITXGMAYDCGIE-SJORKVTESA-N 0 3 287.382 2.804 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1OC2CCC1CC2 ZINC000602212295 350852303 /nfs/dbraw/zinc/85/23/03/350852303.db2.gz SBKDYYVOXSXAIP-FHERZECASA-N 0 3 284.359 2.844 20 30 CFEDHN Cc1ccc(CN[C@H](C)CC2(C#N)CCOCC2)cn1 ZINC000602515673 350912293 /nfs/dbraw/zinc/91/22/93/350912293.db2.gz BINIMXYNZCREBC-CQSZACIVSA-N 0 3 273.380 2.579 20 30 CFEDHN Cc1cccc(C)c1OCCNCc1cccc(C#N)n1 ZINC000602520638 350912924 /nfs/dbraw/zinc/91/29/24/350912924.db2.gz KFSDRQUGWYXENT-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN Cc1occc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602519181 350913348 /nfs/dbraw/zinc/91/33/48/350913348.db2.gz UMGMBCXDGCGSFO-LBPRGKRZSA-N 0 3 262.353 2.777 20 30 CFEDHN CC1(C)CCC(C)(C)N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000602525700 350915086 /nfs/dbraw/zinc/91/50/86/350915086.db2.gz HSRJCXJBGRVRHR-ZDUSSCGKSA-N 0 3 279.428 2.825 20 30 CFEDHN CC[C@@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000602534238 350917217 /nfs/dbraw/zinc/91/72/17/350917217.db2.gz HSVKWHQZFHUEMG-HOTGVXAUSA-N 0 3 287.407 2.535 20 30 CFEDHN COc1ccc(-n2ccc(CNC[C@@H](C)CCC#N)n2)cc1 ZINC000602540157 350918491 /nfs/dbraw/zinc/91/84/91/350918491.db2.gz JZKWWKFSVXOTCZ-AWEZNQCLSA-N 0 3 298.390 2.910 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000602566461 350926804 /nfs/dbraw/zinc/92/68/04/350926804.db2.gz DABKMHCLCFFRDI-CQSZACIVSA-N 0 3 285.391 2.925 20 30 CFEDHN C=CCCC[C@H](C)NCc1cc(C(=O)OCC)no1 ZINC000602582225 350934503 /nfs/dbraw/zinc/93/45/03/350934503.db2.gz PQVGOTRCNUHSHZ-NSHDSACASA-N 0 3 266.341 2.686 20 30 CFEDHN N#Cc1cccc(CN2CCN(CC3CCCCC3)CC2)n1 ZINC000602439376 350882140 /nfs/dbraw/zinc/88/21/40/350882140.db2.gz ZYPSWUGWTPEVMQ-UHFFFAOYSA-N 0 3 298.434 2.651 20 30 CFEDHN CC(=O)Nc1cccc2c1CCN(C[C@@H](C)CCC#N)C2 ZINC000602450710 350887814 /nfs/dbraw/zinc/88/78/14/350887814.db2.gz URFZSVOFPSJUOH-ZDUSSCGKSA-N 0 3 285.391 2.943 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2cccc(C#N)n2)C1 ZINC000602593623 350938727 /nfs/dbraw/zinc/93/87/27/350938727.db2.gz LSTPTAAVMRCGAN-GUYCJALGSA-N 0 3 287.407 2.620 20 30 CFEDHN C[C@@H](CCC#N)CN1CCCN(c2nccs2)CC1 ZINC000602456923 350889269 /nfs/dbraw/zinc/88/92/69/350889269.db2.gz XTOFXRUUPZVGFO-ZDUSSCGKSA-N 0 3 278.425 2.595 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602469967 350893658 /nfs/dbraw/zinc/89/36/58/350893658.db2.gz BONIPRJDSHOMAV-CABCVRRESA-N 0 3 273.380 2.589 20 30 CFEDHN CCC[C@H](CN[C@@H]1CCc2cc(C#N)ccc21)OC ZINC000602641993 350958142 /nfs/dbraw/zinc/95/81/42/350958142.db2.gz WVIMJTNENWWYGJ-GDBMZVCRSA-N 0 3 258.365 2.950 20 30 CFEDHN CN(CCCOCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602655294 350963020 /nfs/dbraw/zinc/96/30/20/350963020.db2.gz JKHFGYLVCOOQPX-UHFFFAOYSA-N 0 3 295.386 2.992 20 30 CFEDHN Cc1ccc(CN(CCN(C)C)C[C@@H](C)CCC#N)o1 ZINC000602658410 350964661 /nfs/dbraw/zinc/96/46/61/350964661.db2.gz WKUYQSFGYMPYOU-AWEZNQCLSA-N 0 3 277.412 2.892 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCCCC2(F)F)n1 ZINC000602674324 350972920 /nfs/dbraw/zinc/97/29/20/350972920.db2.gz OKJRFDLVSWIEDK-NSHDSACASA-N 0 3 265.307 2.868 20 30 CFEDHN N#Cc1cccc(CNC2CCC(OC(F)F)CC2)n1 ZINC000602679777 350974736 /nfs/dbraw/zinc/97/47/36/350974736.db2.gz AJSDHKZOPVKUKO-UHFFFAOYSA-N 0 3 281.306 2.593 20 30 CFEDHN COc1cccc([C@H]2C[C@H](NCc3cccc(C#N)n3)C2)c1 ZINC000602685089 350977747 /nfs/dbraw/zinc/97/77/47/350977747.db2.gz YAQBMDOLGPCVDN-CZIWCDLHSA-N 0 3 293.370 2.998 20 30 CFEDHN COC(=O)c1csc(CNCC(C)(C)CC#N)c1 ZINC000602689243 350980637 /nfs/dbraw/zinc/98/06/37/350980637.db2.gz ANWMFAMPYPEBNF-UHFFFAOYSA-N 0 3 266.366 2.564 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2OCCCCO)C1 ZINC000602693248 350982942 /nfs/dbraw/zinc/98/29/42/350982942.db2.gz DJDZIBCIDKIEKK-GOEBONIOSA-N 0 3 288.391 2.620 20 30 CFEDHN C[C@H](CCC#N)CN(CC(=O)OC(C)(C)C)CC1CC1 ZINC000602699239 350985645 /nfs/dbraw/zinc/98/56/45/350985645.db2.gz OHFXCTBYOGJZBT-CYBMUJFWSA-N 0 3 280.412 2.980 20 30 CFEDHN C[C@@H](CCC#N)CN(CC(=O)OC(C)(C)C)CC1CC1 ZINC000602699241 350986000 /nfs/dbraw/zinc/98/60/00/350986000.db2.gz OHFXCTBYOGJZBT-ZDUSSCGKSA-N 0 3 280.412 2.980 20 30 CFEDHN C=CCCSCCNCc1cccc(F)c1N ZINC000602707538 350991002 /nfs/dbraw/zinc/99/10/02/350991002.db2.gz BSRYPEPDRBEHDZ-UHFFFAOYSA-N 0 3 254.374 2.807 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)n1 ZINC000602716154 350996853 /nfs/dbraw/zinc/99/68/53/350996853.db2.gz IVQSAIMFMJFATC-PBHICJAKSA-N 0 3 285.391 2.734 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)cs2)C1 ZINC000602722004 351000715 /nfs/dbraw/zinc/00/07/15/351000715.db2.gz YTIKTARZFOMMDC-NSHDSACASA-N 0 3 265.378 2.933 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)cs2)C1 ZINC000602722003 351000762 /nfs/dbraw/zinc/00/07/62/351000762.db2.gz YTIKTARZFOMMDC-LLVKDONJSA-N 0 3 265.378 2.933 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](CO)c1ccc(F)cc1F ZINC000602723852 351001115 /nfs/dbraw/zinc/00/11/15/351001115.db2.gz UHRNMVVZXFFNNY-YGRLFVJLSA-N 0 3 268.307 2.528 20 30 CFEDHN COc1ccc([C@H]2C[C@@H]2[C@@H](C)NC[C@@H](C)C#N)cc1 ZINC000602607093 350943852 /nfs/dbraw/zinc/94/38/52/350943852.db2.gz GXNHGNGQIRXIOR-UAXWRAGISA-N 0 3 258.365 2.936 20 30 CFEDHN CC[C@H](C)c1nnc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)[n-]1 ZINC000602631667 350953411 /nfs/dbraw/zinc/95/34/11/350953411.db2.gz QIUJFEFJYFWBBZ-SDDRHHMPSA-N 0 3 263.389 2.909 20 30 CFEDHN CC[C@H](C)c1nnc([C@@H](C)NC[C@@H](C)CCC#N)[nH]1 ZINC000602631667 350953415 /nfs/dbraw/zinc/95/34/15/350953415.db2.gz QIUJFEFJYFWBBZ-SDDRHHMPSA-N 0 3 263.389 2.909 20 30 CFEDHN C[C@H](CCC#N)CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602633157 350954576 /nfs/dbraw/zinc/95/45/76/350954576.db2.gz LLTZZVCQGHTVSO-GRYCIOLGSA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1ccnc(-c2nnc([C@H](C)[NH2+]C[C@H](C)CCC#N)[n-]2)c1 ZINC000602638746 350957432 /nfs/dbraw/zinc/95/74/32/350957432.db2.gz HRASSCHCYJQHGY-OLZOCXBDSA-N 0 3 298.394 2.766 20 30 CFEDHN CCN(C[C@H]1CCc2ncnn21)[C@H](C)c1ccc(C#N)cc1 ZINC000602765561 351017165 /nfs/dbraw/zinc/01/71/65/351017165.db2.gz VJDPNHXVSMOAMU-CZUORRHYSA-N 0 3 295.390 2.720 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602780132 351022163 /nfs/dbraw/zinc/02/21/63/351022163.db2.gz PCHVVCWSPPAPJM-OLZOCXBDSA-N 0 3 250.386 2.816 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)C12CCC2 ZINC000602789185 351025876 /nfs/dbraw/zinc/02/58/76/351025876.db2.gz VJGOMYOGIHUBLP-UONOGXRCSA-N 0 3 262.397 2.960 20 30 CFEDHN COC(=O)[C@@H](C)[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602792230 351027038 /nfs/dbraw/zinc/02/70/38/351027038.db2.gz IPURCMSBMGLFSH-DZGCQCFKSA-N 0 3 286.375 2.820 20 30 CFEDHN Cn1cc([C@H](NCC2(CC#N)CC2)C(C)(C)C)cn1 ZINC000602804084 351031984 /nfs/dbraw/zinc/03/19/84/351031984.db2.gz IERCPVFJAMERAE-ZDUSSCGKSA-N 0 3 260.385 2.791 20 30 CFEDHN Cc1cnccc1OC1CCN(CC2(CC#N)CC2)CC1 ZINC000602819219 351036875 /nfs/dbraw/zinc/03/68/75/351036875.db2.gz QPISEDIGFRPBNZ-UHFFFAOYSA-N 0 3 285.391 2.927 20 30 CFEDHN N#CCC1(CN2CCC[C@]3(CCSC3)C2)CC1 ZINC000602836017 351040822 /nfs/dbraw/zinc/04/08/22/351040822.db2.gz DBTBQRQTJIBMGD-AWEZNQCLSA-N 0 3 250.411 2.899 20 30 CFEDHN CN(CC1(CC#N)CC1)C1CC(OC(C)(C)C)C1 ZINC000602845238 351042616 /nfs/dbraw/zinc/04/26/16/351042616.db2.gz IQAFJAIGHQENCG-UHFFFAOYSA-N 0 3 250.386 2.958 20 30 CFEDHN N#CCC1(CN2CCSC[C@H]2C2CCC2)CC1 ZINC000602846112 351044315 /nfs/dbraw/zinc/04/43/15/351044315.db2.gz MERCVRCYUABRGB-ZDUSSCGKSA-N 0 3 250.411 2.898 20 30 CFEDHN N#CCC1(CN2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000602852384 351045175 /nfs/dbraw/zinc/04/51/75/351045175.db2.gz QIAWJHUEUIWTPJ-HNNXBMFYSA-N 0 3 256.349 2.834 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](c2cccnc2)C1 ZINC000602852617 351045321 /nfs/dbraw/zinc/04/53/21/351045321.db2.gz DWEHCZRBXCVPBN-JKSUJKDBSA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@@H]1CN(Cc2cccc3cccnc32)C[C@@H](C)N1CC#N ZINC000602853881 351045826 /nfs/dbraw/zinc/04/58/26/351045826.db2.gz MMRGRTLQJWANIN-HUUCEWRRSA-N 0 3 294.402 2.653 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3cccnc3)C2)C1 ZINC000602852696 351046371 /nfs/dbraw/zinc/04/63/71/351046371.db2.gz GCXNCXWHWXYTAS-FVQBIDKESA-N 0 3 255.365 2.953 20 30 CFEDHN CCc1ccc(CCN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602855561 351046832 /nfs/dbraw/zinc/04/68/32/351046832.db2.gz ICLFJBZNVNNJQQ-HZPDHXFCSA-N 0 3 285.435 2.710 20 30 CFEDHN N#CCCCN1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC000602878982 351056096 /nfs/dbraw/zinc/05/60/96/351056096.db2.gz XNJAOGDXZUPWKV-UHFFFAOYSA-N 0 3 295.390 2.955 20 30 CFEDHN Cc1csc(CC2(O)CCN([C@H](C)CCC#N)CC2)n1 ZINC000602892624 351059435 /nfs/dbraw/zinc/05/94/35/351059435.db2.gz LTQLNAWOBGYXRN-CYBMUJFWSA-N 0 3 293.436 2.513 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(SC)CC1 ZINC000602921331 351067230 /nfs/dbraw/zinc/06/72/30/351067230.db2.gz HHNXNCMZJFKJKQ-ZDUSSCGKSA-N 0 3 284.469 2.627 20 30 CFEDHN N#Cc1ccc(C2CCN(CCc3ccccn3)CC2)nc1 ZINC000602906611 351062391 /nfs/dbraw/zinc/06/23/91/351062391.db2.gz LHQPSGLGBUQCQS-UHFFFAOYSA-N 0 3 292.386 2.770 20 30 CFEDHN C[C@@H]1CN(CC2(CC#N)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000602916230 351063985 /nfs/dbraw/zinc/06/39/85/351063985.db2.gz MAPJMTSQTQDBSM-ZIAGYGMSSA-N 0 3 292.423 2.980 20 30 CFEDHN C[C@H](CCN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748329 351012907 /nfs/dbraw/zinc/01/29/07/351012907.db2.gz MFLYHAXDDSAQTL-MRXNPFEDSA-N 0 3 271.408 2.711 20 30 CFEDHN CC(C)(C#N)CCCn1cc(CCN2CCCCC2)nn1 ZINC000603261850 351126668 /nfs/dbraw/zinc/12/66/68/351126668.db2.gz WACHKJSIEQWMJY-UHFFFAOYSA-N 0 3 289.427 2.636 20 30 CFEDHN Cc1cc(C#N)ccc1Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000603234830 351122898 /nfs/dbraw/zinc/12/28/98/351122898.db2.gz FBVYJNVRFYDEQL-OAHLLOKOSA-N 0 3 283.379 2.552 20 30 CFEDHN CN(CCN(C)[C@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000602981354 351082692 /nfs/dbraw/zinc/08/26/92/351082692.db2.gz BTIOYHJWBAAPTE-SJORKVTESA-N 0 3 271.408 2.742 20 30 CFEDHN CC[C@]1(O)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000602983855 351084896 /nfs/dbraw/zinc/08/48/96/351084896.db2.gz VSTCCPIIAVIXJY-CJNGLKHVSA-N 0 3 258.365 2.856 20 30 CFEDHN CC(C)(C#N)CCCCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988652 351085702 /nfs/dbraw/zinc/08/57/02/351085702.db2.gz RIFBXHXWCPJNPQ-NWDGAFQWSA-N 0 3 292.345 2.809 20 30 CFEDHN CC(C)[C@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603250680 351125013 /nfs/dbraw/zinc/12/50/13/351125013.db2.gz NTNYUBVUZWISMQ-INIZCTEOSA-N 0 3 297.406 2.783 20 30 CFEDHN N#CCCCCN1CCN(c2cccc(F)c2)CC1 ZINC000603017396 351091093 /nfs/dbraw/zinc/09/10/93/351091093.db2.gz VHFDPFYEWWZVJA-UHFFFAOYSA-N 0 3 261.344 2.642 20 30 CFEDHN N#Cc1ccccc1CSCCNCc1ccncc1N ZINC000603424344 351161716 /nfs/dbraw/zinc/16/17/16/351161716.db2.gz PIDILQGOBDWZQZ-UHFFFAOYSA-N 0 3 298.415 2.558 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccncc1N ZINC000603433878 351163734 /nfs/dbraw/zinc/16/37/34/351163734.db2.gz WYRVKURUYLYEPM-QGZVFWFLSA-N 0 3 278.359 2.703 20 30 CFEDHN N#Cc1cnn2cc(CNCCC3CCCCC3)cnc12 ZINC000603893178 351190674 /nfs/dbraw/zinc/19/06/74/351190674.db2.gz RNVZMFVSMDJFLQ-UHFFFAOYSA-N 0 3 283.379 2.661 20 30 CFEDHN N#Cc1cnn(-c2ccccc2)c1NCCN1CCCCC1 ZINC000603282027 351130659 /nfs/dbraw/zinc/13/06/59/351130659.db2.gz BHIIACNSEXZKSV-UHFFFAOYSA-N 0 3 295.390 2.642 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000605845970 351257160 /nfs/dbraw/zinc/25/71/60/351257160.db2.gz AGSXMWZJGBRSEQ-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000605738789 351257300 /nfs/dbraw/zinc/25/73/00/351257300.db2.gz XOFCYOSWSDIILA-SOUVJXGZSA-N 0 3 266.429 2.825 20 30 CFEDHN CCC(CC)N(CC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000604434795 351212471 /nfs/dbraw/zinc/21/24/71/351212471.db2.gz KPDAVDJTNKKSOY-UHFFFAOYSA-N 0 3 299.418 2.827 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115598264 186682379 /nfs/dbraw/zinc/68/23/79/186682379.db2.gz FEXWRISIYVEBJG-KCXAZCMYSA-N 0 3 285.391 2.501 20 30 CFEDHN C=CCOc1ccc(CN(C)CC2(C)COC2)cc1 ZINC000608491474 351440994 /nfs/dbraw/zinc/44/09/94/351440994.db2.gz VORJLDGJTCKPDU-UHFFFAOYSA-N 0 3 261.365 2.720 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000609620220 351512062 /nfs/dbraw/zinc/51/20/62/351512062.db2.gz KKBPYVNXTQTQGP-SECBINFHSA-N 0 3 270.254 2.823 20 30 CFEDHN CC(C)C[C@@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000608823284 351477456 /nfs/dbraw/zinc/47/74/56/351477456.db2.gz DUSFNFJYAGVFLR-KRWDZBQOSA-N 0 3 299.418 2.950 20 30 CFEDHN N#Cc1ccc(CN2CCc3ccc(O)cc3CC2)cc1 ZINC000608866661 351479975 /nfs/dbraw/zinc/47/99/75/351479975.db2.gz NGRYWQRECJEFGN-UHFFFAOYSA-N 0 3 278.355 2.865 20 30 CFEDHN CC(C#N)C(=O)N1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000609920159 351528515 /nfs/dbraw/zinc/52/85/15/351528515.db2.gz OQNSZBAWXSLAES-KBPBESRZSA-N 0 3 297.402 2.588 20 30 CFEDHN CC(C#N)C(=O)NCCCc1cccc(Br)c1 ZINC000609921774 351528826 /nfs/dbraw/zinc/52/88/26/351528826.db2.gz BYZDVKOIRGQECV-SNVBAGLBSA-N 0 3 295.180 2.658 20 30 CFEDHN COc1ccccc1[C@H]1CCCCN1C(=O)C(C)C#N ZINC000610426680 351565478 /nfs/dbraw/zinc/56/54/78/351565478.db2.gz BEKMBYWSLMGYHC-TZMCWYRMSA-N 0 3 272.348 2.908 20 30 CFEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C(N)=O)cc1 ZINC000610342664 351556014 /nfs/dbraw/zinc/55/60/14/351556014.db2.gz VMOAWPDSLGGPEE-SVGFKBNWSA-N 0 3 297.402 2.643 20 30 CFEDHN CCC(C)(C)CCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000610391134 351562694 /nfs/dbraw/zinc/56/26/94/351562694.db2.gz VAZGLPGXJYNMCR-OAHLLOKOSA-N 0 3 265.445 2.978 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC000611140299 351644341 /nfs/dbraw/zinc/64/43/41/351644341.db2.gz LMIBKXPHLAMTQJ-INIZCTEOSA-N 0 3 256.349 2.725 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@H](C(F)F)C1 ZINC000611180040 351648673 /nfs/dbraw/zinc/64/86/73/351648673.db2.gz QCBOASXWVLTFDK-LBPRGKRZSA-N 0 3 266.291 2.524 20 30 CFEDHN N#Cc1cccc(OCCCN2CC[C@H](C(F)F)C2)c1 ZINC000611180177 351648923 /nfs/dbraw/zinc/64/89/23/351648923.db2.gz TUASWTWRCQUTNF-ZDUSSCGKSA-N 0 3 280.318 2.914 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)CCOC(C)(C)C ZINC000610859738 351615457 /nfs/dbraw/zinc/61/54/57/351615457.db2.gz KLAHOGILMYCZER-UHFFFAOYSA-N 0 3 276.380 2.684 20 30 CFEDHN CCCO[C@H]1CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992721 351630453 /nfs/dbraw/zinc/63/04/53/351630453.db2.gz FPBYVLCNJCVAMM-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000611392587 351680500 /nfs/dbraw/zinc/68/05/00/351680500.db2.gz WTVCQRZYEZXOCT-MLGOLLRUSA-N 0 3 299.418 2.828 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOCC1CC1 ZINC000611392739 351680638 /nfs/dbraw/zinc/68/06/38/351680638.db2.gz IJSONWPFNOIHIM-KRWDZBQOSA-N 0 3 270.376 2.952 20 30 CFEDHN COCCOC[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611394837 351682121 /nfs/dbraw/zinc/68/21/21/351682121.db2.gz JIDZEJPKTUDLQZ-DYVFJYSZSA-N 0 3 288.391 2.577 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1cccc(F)c1F ZINC000611445814 351691718 /nfs/dbraw/zinc/69/17/18/351691718.db2.gz KPOOZPXLKHWUPU-NSHDSACASA-N 0 3 279.334 2.603 20 30 CFEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000611551557 351707254 /nfs/dbraw/zinc/70/72/54/351707254.db2.gz RETAAULLWLBZAR-QGZVFWFLSA-N 0 3 287.382 2.951 20 30 CFEDHN Cc1nccn1CCCCN1CCC[C@](C)(C#N)C1 ZINC000612160067 351781884 /nfs/dbraw/zinc/78/18/84/351781884.db2.gz FWQONRSROILMFB-OAHLLOKOSA-N 0 3 260.385 2.597 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000612085725 351772607 /nfs/dbraw/zinc/77/26/07/351772607.db2.gz MXTFXPPOVRYMEF-ONGXEEELSA-N 0 3 278.787 2.810 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000122270416 187023218 /nfs/dbraw/zinc/02/32/18/187023218.db2.gz CBBJFOXBIHRABI-ZYHUDNBSSA-N 0 3 286.335 2.504 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000123739073 187106464 /nfs/dbraw/zinc/10/64/64/187106464.db2.gz HEEGWWIECFSPTE-BBRMVZONSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccccc1C#N ZINC000123780619 187108465 /nfs/dbraw/zinc/10/84/65/187108465.db2.gz ABVDURCLRUDEMF-CZUORRHYSA-N 0 3 258.365 2.684 20 30 CFEDHN CN(CCN(C)C1CC1)c1nc(C(C)(C)C)ccc1C#N ZINC000613701939 351999478 /nfs/dbraw/zinc/99/94/78/351999478.db2.gz MSOSHOMCSIGWQE-UHFFFAOYSA-N 0 3 286.423 2.781 20 30 CFEDHN CC(C)(C#N)c1ccc(CN(CCCO)C2CC2)cc1 ZINC000614168048 352056174 /nfs/dbraw/zinc/05/61/74/352056174.db2.gz LTASAWUGXAYHET-UHFFFAOYSA-N 0 3 272.392 2.835 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000614227392 352065777 /nfs/dbraw/zinc/06/57/77/352065777.db2.gz GWYISOLPLXMXCD-JKSUJKDBSA-N 0 3 273.380 2.637 20 30 CFEDHN CCN1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000614963193 352137020 /nfs/dbraw/zinc/13/70/20/352137020.db2.gz PWLPMLVKYNAJJZ-KGLIPLIRSA-N 0 3 257.381 2.645 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000614403663 352090418 /nfs/dbraw/zinc/09/04/18/352090418.db2.gz OXFVEFJFPJJXOO-MRXNPFEDSA-N 0 3 280.375 2.969 20 30 CFEDHN C[C@@H](c1cccnc1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000271471933 191156779 /nfs/dbraw/zinc/15/67/79/191156779.db2.gz GEOTZILFPXLJJQ-SUMWQHHRSA-N 0 3 281.359 2.680 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)cc1F)C1CCCC1 ZINC000615085939 352152266 /nfs/dbraw/zinc/15/22/66/352152266.db2.gz VQMYNELXJRWXSM-INIZCTEOSA-N 0 3 276.355 2.992 20 30 CFEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccnc(C#N)c1 ZINC000616125839 352288029 /nfs/dbraw/zinc/28/80/29/352288029.db2.gz INIALMRHRYYIEU-SFHVURJKSA-N 0 3 295.386 2.643 20 30 CFEDHN C#CCCCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000271514566 191185545 /nfs/dbraw/zinc/18/55/45/191185545.db2.gz FYLGIDDXTZVXOB-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN C#CCCCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271514564 191185464 /nfs/dbraw/zinc/18/54/64/191185464.db2.gz FYLGIDDXTZVXOB-GOSISDBHSA-N 0 3 298.430 2.913 20 30 CFEDHN CCOC(=O)CCN(Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000616750696 352426963 /nfs/dbraw/zinc/42/69/63/352426963.db2.gz GCLLPDGNVDTTNS-UHFFFAOYSA-N 0 3 290.338 2.615 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCC ZINC000617039162 352474649 /nfs/dbraw/zinc/47/46/49/352474649.db2.gz DCZWFYNVUIHPSJ-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC000617042918 352477947 /nfs/dbraw/zinc/47/79/47/352477947.db2.gz XEFZEDAPSKGALZ-OLZOCXBDSA-N 0 3 261.369 2.512 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC000617043767 352479006 /nfs/dbraw/zinc/47/90/06/352479006.db2.gz DSJBBGJAMQJVHF-RBSFLKMASA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C1CC1 ZINC001085161501 781929661 /nfs/dbraw/zinc/92/96/61/781929661.db2.gz BUZQBGBPNRAETC-MRVWCRGKSA-N 0 3 284.831 2.802 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](CC)N(C)C)CCCC1 ZINC000617416962 352561242 /nfs/dbraw/zinc/56/12/42/352561242.db2.gz FMYSGTPFHKRHGG-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN CCCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292123634 198171426 /nfs/dbraw/zinc/17/14/26/198171426.db2.gz IEBOCXPDYXEQLD-CQSZACIVSA-N 0 3 259.353 2.597 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000617782828 352645628 /nfs/dbraw/zinc/64/56/28/352645628.db2.gz NEWYPMZRHIIQJY-OAHLLOKOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCOc1ccccc1CN(CCCO)C1CC1 ZINC000678264307 539909149 /nfs/dbraw/zinc/90/91/49/539909149.db2.gz UAOPTDVZBPOWDZ-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCC(C)(C)CN1CCOCC ZINC001098966675 781929931 /nfs/dbraw/zinc/92/99/31/781929931.db2.gz SIZKAXUOHJDXHR-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN(c2ccncc2)CC1 ZINC000618285168 352748312 /nfs/dbraw/zinc/74/83/12/352748312.db2.gz JYGBECRKUAOMEL-UHFFFAOYSA-N 0 3 286.423 2.924 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618893795 352907144 /nfs/dbraw/zinc/90/71/44/352907144.db2.gz ZZZIIJAOJBURSW-SJORKVTESA-N 0 3 297.402 2.536 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)C[C@H]1c1ccccc1 ZINC000618887213 352904503 /nfs/dbraw/zinc/90/45/03/352904503.db2.gz MBYVYIQZMZNDBQ-RDJZCZTQSA-N 0 3 271.408 2.915 20 30 CFEDHN C[C@@H](NC[C@@H](C)CCC#N)C(=O)Nc1ccccc1 ZINC000618887701 352905438 /nfs/dbraw/zinc/90/54/38/352905438.db2.gz FGYKXOPZBKUCKE-QWHCGFSZSA-N 0 3 259.353 2.543 20 30 CFEDHN CCC[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619268558 352989080 /nfs/dbraw/zinc/98/90/80/352989080.db2.gz WTDUZAUCLKPIQS-WFASDCNBSA-N 0 3 269.348 2.545 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCC1 ZINC000619305705 352990668 /nfs/dbraw/zinc/99/06/68/352990668.db2.gz SOYUFZZKQCJVFI-WBMJQRKESA-N 0 3 281.359 2.545 20 30 CFEDHN C#CCCCCNCc1ccc(OC)c(OC)c1OC ZINC000150732516 187924543 /nfs/dbraw/zinc/92/45/43/187924543.db2.gz CDPCYRCVZFUYTN-UHFFFAOYSA-N 0 3 277.364 2.606 20 30 CFEDHN CC1=C[C@@H](C)CN(CCC(=O)Nc2sccc2C#N)C1 ZINC000619532303 353033601 /nfs/dbraw/zinc/03/36/01/353033601.db2.gz FLNGXRCRELTVPO-LLVKDONJSA-N 0 3 289.404 2.846 20 30 CFEDHN CC[C@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619720470 353058907 /nfs/dbraw/zinc/05/89/07/353058907.db2.gz GVXYUNFZZWKXME-XJKSGUPXSA-N 0 3 275.371 2.806 20 30 CFEDHN CC(C)(C#N)CN[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000619612237 353040152 /nfs/dbraw/zinc/04/01/52/353040152.db2.gz KRSGMIKYDIAKID-HZSPNIEDSA-N 0 3 250.386 2.721 20 30 CFEDHN C[C@@H]1CCN(CCCC2(C#N)CCOCC2)C[C@H]1F ZINC000619621214 353040889 /nfs/dbraw/zinc/04/08/89/353040889.db2.gz NURHMGITUGHBNE-ZIAGYGMSSA-N 0 3 268.376 2.767 20 30 CFEDHN CCC(=O)Nc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000619672372 353047607 /nfs/dbraw/zinc/04/76/07/353047607.db2.gz SMTHWKDNQIYJOS-GXTWGEPZSA-N 0 3 271.364 2.817 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1CCC ZINC000620313079 353150427 /nfs/dbraw/zinc/15/04/27/353150427.db2.gz VATSGRQZKPNRLV-ZNMIVQPWSA-N 0 3 262.397 2.570 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000153738974 188100872 /nfs/dbraw/zinc/10/08/72/188100872.db2.gz AJXRDCJAHXHINJ-CQSZACIVSA-N 0 3 295.452 2.958 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000273507246 192179050 /nfs/dbraw/zinc/17/90/50/192179050.db2.gz QEKKUKQXPPEZFQ-GFCCVEGCSA-N 0 3 297.782 2.528 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCN[C@H](C(C)C)C1)c1ccccc1 ZINC000621155413 353288893 /nfs/dbraw/zinc/28/88/93/353288893.db2.gz FVOLFLBFPVSPLJ-RDJZCZTQSA-N 0 3 286.419 2.803 20 30 CFEDHN CC#CCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000156201767 188248812 /nfs/dbraw/zinc/24/88/12/188248812.db2.gz AUFZEIBXVNEZRA-UHFFFAOYSA-N 0 3 271.286 2.562 20 30 CFEDHN C=CCCCCCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621354458 353335053 /nfs/dbraw/zinc/33/50/53/353335053.db2.gz KQAPLXRWUBQFTC-MRXNPFEDSA-N 0 3 293.432 2.992 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cncc(Cl)c1 ZINC000621299500 353319598 /nfs/dbraw/zinc/31/95/98/353319598.db2.gz GAVGTUOYPOKPEP-OLZOCXBDSA-N 0 3 252.745 2.558 20 30 CFEDHN C#CC[C@H](NCCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000271684613 191275646 /nfs/dbraw/zinc/27/56/46/191275646.db2.gz JEFVDHKKBCQXKL-HNNXBMFYSA-N 0 3 297.358 2.666 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000158143311 188359432 /nfs/dbraw/zinc/35/94/32/188359432.db2.gz JJZFXIDKHZNZFC-CQSZACIVSA-N 0 3 289.375 2.801 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(F)cc1F ZINC000271696835 191280432 /nfs/dbraw/zinc/28/04/32/191280432.db2.gz RVQWNRLMPBCRAT-CMPLNLGQSA-N 0 3 255.308 2.943 20 30 CFEDHN C#CC[C@H](NC[C@H](O)COc1ccccc1)c1ccccc1 ZINC000271696426 191280878 /nfs/dbraw/zinc/28/08/78/191280878.db2.gz LOJZAAUVNBFZHM-HKUYNNGSSA-N 0 3 295.382 2.781 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC(C)(OC)CC1 ZINC000271695661 191281151 /nfs/dbraw/zinc/28/11/51/191281151.db2.gz GFSIQBSGYTXBEG-UHFFFAOYSA-N 0 3 274.364 2.568 20 30 CFEDHN CCCCOC(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000271706256 191283533 /nfs/dbraw/zinc/28/35/33/191283533.db2.gz VAHCLRRTJMWYIE-CYBMUJFWSA-N 0 3 274.364 2.942 20 30 CFEDHN C=CCOc1c(Cl)cc(CNC/C=C\CO)cc1OC ZINC000623563533 353672535 /nfs/dbraw/zinc/67/25/35/353672535.db2.gz AYNWPBCEQWOBKT-PLNGDYQASA-N 0 3 297.782 2.552 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623622950 353688457 /nfs/dbraw/zinc/68/84/57/353688457.db2.gz OMYYDKSEDFFLBM-ZFWWWQNUSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCOCCNCc1ccc(Cl)c(OC)c1 ZINC000623487836 353655424 /nfs/dbraw/zinc/65/54/24/353655424.db2.gz WFGGTPLVHSSAHM-UHFFFAOYSA-N 0 3 255.745 2.641 20 30 CFEDHN C=CCCn1cc(CNCC[C@@H]2CC=CCC2)nn1 ZINC000623698489 353707532 /nfs/dbraw/zinc/70/75/32/353707532.db2.gz INLCOUUOMLXWLP-CQSZACIVSA-N 0 3 260.385 2.690 20 30 CFEDHN C=CCN1CCC(N[C@H]2CCCc3scnc32)CC1 ZINC000623889474 353750836 /nfs/dbraw/zinc/75/08/36/353750836.db2.gz NXAROXOATJUMKD-ZDUSSCGKSA-N 0 3 277.437 2.761 20 30 CFEDHN C=CCOCCCN[C@H]1CCCc2scnc21 ZINC000624013934 353784654 /nfs/dbraw/zinc/78/46/54/353784654.db2.gz MWTYEOITDZJTIT-NSHDSACASA-N 0 3 252.383 2.703 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624156287 353820846 /nfs/dbraw/zinc/82/08/46/353820846.db2.gz XUCHQPXRIPRTJW-AWEZNQCLSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000624324631 353862537 /nfs/dbraw/zinc/86/25/37/353862537.db2.gz QHIFGEJGORISCA-ZDUSSCGKSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000624326779 353862695 /nfs/dbraw/zinc/86/26/95/353862695.db2.gz UUZSGLINHMCWNV-RBSFLKMASA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC000625322135 354021759 /nfs/dbraw/zinc/02/17/59/354021759.db2.gz SNFMDEWHPZFKLD-ZWKOTPCHSA-N 0 3 298.430 2.865 20 30 CFEDHN C=CCNC(=O)CN(Cc1ccc(C)cc1)C(C)(C)C ZINC000625697190 354088263 /nfs/dbraw/zinc/08/82/63/354088263.db2.gz VMGGXYYECAQSBV-UHFFFAOYSA-N 0 3 274.408 2.898 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccc(CC)s2)C1 ZINC000625701374 354089127 /nfs/dbraw/zinc/08/91/27/354089127.db2.gz QPDJYJUACHMYAD-CYBMUJFWSA-N 0 3 292.448 2.825 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnnn2-c2ccccc2)C1 ZINC000625702093 354090481 /nfs/dbraw/zinc/09/04/81/354090481.db2.gz NBYKZBVDXPKIBD-CQSZACIVSA-N 0 3 268.364 2.665 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775590 354108042 /nfs/dbraw/zinc/10/80/42/354108042.db2.gz UFLDEPDSKIJUCF-KFWWJZLASA-N 0 3 296.480 2.769 20 30 CFEDHN COCC#CCN([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626135175 354206036 /nfs/dbraw/zinc/20/60/36/354206036.db2.gz UFFIUGMPUIHRIT-QAPCUYQASA-N 0 3 287.403 2.661 20 30 CFEDHN C=CCC1(NCc2cnc(C3CC3)o2)CCOCC1 ZINC000628338907 354552172 /nfs/dbraw/zinc/55/21/72/354552172.db2.gz ZMDVKYWWJAFRDW-UHFFFAOYSA-N 0 3 262.353 2.767 20 30 CFEDHN C=CC[C@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000628405838 354579080 /nfs/dbraw/zinc/57/90/80/354579080.db2.gz VYOQYHAOSCIKAP-ZDUSSCGKSA-N 0 3 255.365 2.971 20 30 CFEDHN C=CCc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(OC)c1O ZINC000628409148 354580789 /nfs/dbraw/zinc/58/07/89/354580789.db2.gz MTYTXDKCWZCXOH-OKILXGFUSA-N 0 3 259.349 2.581 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000628487780 354604544 /nfs/dbraw/zinc/60/45/44/354604544.db2.gz LVRKBNQFEOZRDO-AWEZNQCLSA-N 0 3 272.392 2.786 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628965031 354709377 /nfs/dbraw/zinc/70/93/77/354709377.db2.gz STYMSLOEXMXJCK-UKRRQHHQSA-N 0 3 264.413 2.722 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000333141800 283059165 /nfs/dbraw/zinc/05/91/65/283059165.db2.gz YXSWJBHYHJRMOQ-IJEWVQPXSA-N 0 3 289.423 2.592 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000630576968 355116084 /nfs/dbraw/zinc/11/60/84/355116084.db2.gz ROSBNJFDMBABPF-INIZCTEOSA-N 0 3 286.419 2.632 20 30 CFEDHN C[C@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(C#N)c1 ZINC000271845467 191362505 /nfs/dbraw/zinc/36/25/05/191362505.db2.gz HNDHZVFOEDJAIS-JOYOIKCWSA-N 0 3 272.270 2.522 20 30 CFEDHN C[C@H](CCO)C1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000271851556 191368337 /nfs/dbraw/zinc/36/83/37/191368337.db2.gz TZOWUQGDTNKENB-CYBMUJFWSA-N 0 3 290.382 2.976 20 30 CFEDHN C=CC[C@@H](C)NCc1c(OC)cc(F)cc1OC ZINC000631075203 355276795 /nfs/dbraw/zinc/27/67/95/355276795.db2.gz OAFUUVVIOIJBLR-SNVBAGLBSA-N 0 3 253.317 2.897 20 30 CFEDHN C=C(C)COCCNCc1ccc(C(F)F)nc1 ZINC000631089820 355286639 /nfs/dbraw/zinc/28/66/39/355286639.db2.gz DYWQUUUBPCPYGA-UHFFFAOYSA-N 0 3 256.296 2.702 20 30 CFEDHN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc(C3CCOCC3)[n-]2)C1 ZINC000631214200 355353755 /nfs/dbraw/zinc/35/37/55/355353755.db2.gz SZWXQCFRSRFFPF-TZMCWYRMSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000631214200 355353757 /nfs/dbraw/zinc/35/37/57/355353757.db2.gz SZWXQCFRSRFFPF-TZMCWYRMSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CCCn1cc(CNCC(C)(C)CCC=C)nn1 ZINC000631222937 355359755 /nfs/dbraw/zinc/35/97/55/355359755.db2.gz ZKTSKCASJCXTTB-UHFFFAOYSA-N 0 3 262.401 2.936 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1c(Br)cnn1C ZINC000631684962 355546722 /nfs/dbraw/zinc/54/67/22/355546722.db2.gz PDXWZXBZFJWVHA-NXEZZACHSA-N 0 3 286.217 2.873 20 30 CFEDHN C=CCCNCc1cc2c(cc1Br)OCO2 ZINC000142621395 540188434 /nfs/dbraw/zinc/18/84/34/540188434.db2.gz SKFSKKSNILWGIQ-UHFFFAOYSA-N 0 3 284.153 2.844 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C)(F)CC2)CC1 ZINC000632987052 355787614 /nfs/dbraw/zinc/78/76/14/355787614.db2.gz WKQOVPOABFKYJG-UHFFFAOYSA-N 0 3 297.418 2.561 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)Oc1ccc(F)cc1 ZINC000174603185 188908794 /nfs/dbraw/zinc/90/87/94/188908794.db2.gz NOXFEVJPIPCWDL-NSHDSACASA-N 0 3 274.295 2.847 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000289932148 283145698 /nfs/dbraw/zinc/14/56/98/283145698.db2.gz TUNFOSSGYSAMJA-RBUKOAKNSA-N 0 3 292.382 2.814 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000273520717 192185846 /nfs/dbraw/zinc/18/58/46/192185846.db2.gz SMEXQHCYCDLCRI-MRXNPFEDSA-N 0 3 297.402 2.581 20 30 CFEDHN N#Cc1cnc(N2CCCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000413136128 283231599 /nfs/dbraw/zinc/23/15/99/283231599.db2.gz NKYILRYDAGRBPK-CQSZACIVSA-N 0 3 288.370 2.547 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000294537348 199077106 /nfs/dbraw/zinc/07/71/06/199077106.db2.gz ZVEFLEXMGROFPN-AWEZNQCLSA-N 0 3 260.381 2.618 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000294537353 199077134 /nfs/dbraw/zinc/07/71/34/199077134.db2.gz ZVEFLEXMGROFPN-CQSZACIVSA-N 0 3 260.381 2.618 20 30 CFEDHN C=CCOCCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000294559125 199086062 /nfs/dbraw/zinc/08/60/62/199086062.db2.gz LHSDNFFFVMKZLO-QGZVFWFLSA-N 0 3 289.375 2.701 20 30 CFEDHN C=CCCN(C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000294735797 199159289 /nfs/dbraw/zinc/15/92/89/199159289.db2.gz WNHWOGFFOAIPBL-BBRMVZONSA-N 0 3 290.382 2.996 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C)cs2)CC1 ZINC000294740564 199161038 /nfs/dbraw/zinc/16/10/38/199161038.db2.gz WMMIVDXGINUSRI-UHFFFAOYSA-N 0 3 278.421 2.827 20 30 CFEDHN CC(C)(C[C@H]1CCCN(Cc2ccc(C#N)cc2)C1)C(N)=O ZINC000294893475 199234764 /nfs/dbraw/zinc/23/47/64/199234764.db2.gz WPRUAAAAQNNCMH-MRXNPFEDSA-N 0 3 299.418 2.672 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000421333705 236767548 /nfs/dbraw/zinc/76/75/48/236767548.db2.gz OSCSWBYLVXGHTF-HNNXBMFYSA-N 0 3 287.338 2.683 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)c1 ZINC000274930564 192846620 /nfs/dbraw/zinc/84/66/20/192846620.db2.gz OEVUCMZHFXINTD-IKGGRYGDSA-N 0 3 291.391 2.533 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000666756577 540577167 /nfs/dbraw/zinc/57/71/67/540577167.db2.gz UBXTVTNLQDZDPY-JKSUJKDBSA-N 0 3 293.455 2.857 20 30 CFEDHN C#C[C@H](NC(=O)Nc1ccccc1CCN(C)C)C(C)C ZINC000297970837 200310422 /nfs/dbraw/zinc/31/04/22/200310422.db2.gz YTNMUXSQMCFEDI-HNNXBMFYSA-N 0 3 287.407 2.570 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CCSC)C(C)C ZINC000298269875 200378604 /nfs/dbraw/zinc/37/86/04/200378604.db2.gz CYCQDBKFFHUNLP-CQSZACIVSA-N 0 3 284.469 2.554 20 30 CFEDHN CN(C)Cc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176944892 189015970 /nfs/dbraw/zinc/01/59/70/189015970.db2.gz DFULVELWKDGPIQ-UHFFFAOYSA-N 0 3 285.416 2.971 20 30 CFEDHN C#CCSCCNCc1cnc(C)n1-c1ccccc1 ZINC000176798025 189009585 /nfs/dbraw/zinc/00/95/85/189009585.db2.gz YVBCJHXGMBTJPX-UHFFFAOYSA-N 0 3 285.416 2.637 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000177200526 189036089 /nfs/dbraw/zinc/03/60/89/189036089.db2.gz TWLQPDNJRQBDGC-HOTGVXAUSA-N 0 3 298.430 2.640 20 30 CFEDHN C=CCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177398980 189047928 /nfs/dbraw/zinc/04/79/28/189047928.db2.gz NDXCFHYMZCOEJR-AWEZNQCLSA-N 0 3 266.772 2.596 20 30 CFEDHN C=CCc1cc(CN[C@]2(CC)CCOC2)cc(OC)c1O ZINC000682951299 540731191 /nfs/dbraw/zinc/73/11/91/540731191.db2.gz AIKZEEWTNRLMPD-QGZVFWFLSA-N 0 3 291.391 2.788 20 30 CFEDHN CCCC[C@@H](COC)NCc1ccc(C#N)cc1F ZINC000177859400 189074710 /nfs/dbraw/zinc/07/47/10/189074710.db2.gz VCSGJTUTSQRKHF-AWEZNQCLSA-N 0 3 264.344 2.992 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2cncc(F)c2)CC1 ZINC000177911303 189079272 /nfs/dbraw/zinc/07/92/72/189079272.db2.gz VLEYNRSBHLVSQX-LBPRGKRZSA-N 0 3 263.360 2.522 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(F)c2)CC1 ZINC000178258014 189101134 /nfs/dbraw/zinc/10/11/34/189101134.db2.gz YDGGTBOZPZSVTK-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN CCN(CCn1ccnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179240915 189179920 /nfs/dbraw/zinc/17/99/20/189179920.db2.gz OKUQYDVEBBNEEE-CQSZACIVSA-N 0 3 268.364 2.838 20 30 CFEDHN C=C(C)CCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000387473204 540864962 /nfs/dbraw/zinc/86/49/62/540864962.db2.gz UEKAONGXKGUQKH-CYBMUJFWSA-N 0 3 283.368 2.600 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179631557 189208333 /nfs/dbraw/zinc/20/83/33/189208333.db2.gz GFJOQXQYFOFIIL-UONOGXRCSA-N 0 3 293.407 2.990 20 30 CFEDHN C#CCCCCC(=O)NCc1ccccc1CN(C)C ZINC000179651254 189210286 /nfs/dbraw/zinc/21/02/86/189210286.db2.gz YZIHFOIWMGEDFD-UHFFFAOYSA-N 0 3 272.392 2.558 20 30 CFEDHN C=C(C)COc1cc(CN2CC[C@](C)(O)C2)ccc1OC ZINC000180200633 189243090 /nfs/dbraw/zinc/24/30/90/189243090.db2.gz DZRVIKHKIBVHLG-KRWDZBQOSA-N 0 3 291.391 2.607 20 30 CFEDHN C=C(C)COc1cc(CN2CC[C@@](C)(O)C2)ccc1OC ZINC000180200614 189243143 /nfs/dbraw/zinc/24/31/43/189243143.db2.gz DZRVIKHKIBVHLG-QGZVFWFLSA-N 0 3 291.391 2.607 20 30 CFEDHN Cc1oc(NC(=O)CN(C(C)C)C(C)C)c(C#N)c1C ZINC000180446957 189255880 /nfs/dbraw/zinc/25/58/80/189255880.db2.gz BFWKOIXRRGHQEJ-UHFFFAOYSA-N 0 3 277.368 2.825 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc(C#N)cc1F ZINC000301552162 201064936 /nfs/dbraw/zinc/06/49/36/201064936.db2.gz QZKLDKLAQYGGCI-CYBMUJFWSA-N 0 3 261.344 2.984 20 30 CFEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccnc1 ZINC000182892279 189338208 /nfs/dbraw/zinc/33/82/08/189338208.db2.gz VVLWQPWCPXWLHC-CYBMUJFWSA-N 0 3 267.332 2.683 20 30 CFEDHN CC1([C@@H]2CCCN(Cc3ccc(C#N)s3)C2)OCCO1 ZINC000183248171 189351831 /nfs/dbraw/zinc/35/18/31/189351831.db2.gz XPRCBFXNQDQOCW-GFCCVEGCSA-N 0 3 292.404 2.595 20 30 CFEDHN CC1([C@H]2CCCN(Cc3ccc(C#N)s3)C2)OCCO1 ZINC000183248184 189352289 /nfs/dbraw/zinc/35/22/89/189352289.db2.gz XPRCBFXNQDQOCW-LBPRGKRZSA-N 0 3 292.404 2.595 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000302061120 201325689 /nfs/dbraw/zinc/32/56/89/201325689.db2.gz SXTVLRPGDZYQMW-RDJZCZTQSA-N 0 3 297.402 2.681 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCN(C)C2)c1 ZINC000302106538 201344721 /nfs/dbraw/zinc/34/47/21/201344721.db2.gz NXHMKCGZOWBRMB-ZDUSSCGKSA-N 0 3 271.364 2.515 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(C#N)cc1F ZINC000427866762 239345397 /nfs/dbraw/zinc/34/53/97/239345397.db2.gz QQGRYDGBNFWBNI-SZYCXQDTSA-N 0 3 274.339 2.915 20 30 CFEDHN CN(C)[C@H](CNC(=O)c1cscc1C#N)c1ccccc1 ZINC000432066550 239962255 /nfs/dbraw/zinc/96/22/55/239962255.db2.gz KUWODEKNOKJBNG-OAHLLOKOSA-N 0 3 299.399 2.652 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCCCN2C2CC2)c1 ZINC000434782579 240271023 /nfs/dbraw/zinc/27/10/23/240271023.db2.gz GLSHELLBFAHSOK-CQSZACIVSA-N 0 3 275.421 2.726 20 30 CFEDHN C#CC[C@@H](NC(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000275483080 193055041 /nfs/dbraw/zinc/05/50/41/193055041.db2.gz OOKHXKILJXDIKA-MRXNPFEDSA-N 0 3 299.418 2.535 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCc1cnccn1 ZINC000442897008 241018024 /nfs/dbraw/zinc/01/80/24/241018024.db2.gz GVKSHDAKWCMOMO-ZDUSSCGKSA-N 0 3 266.348 2.584 20 30 CFEDHN Cc1cc(CNCCOCC(F)(F)F)ccc1C#N ZINC000443966513 241098680 /nfs/dbraw/zinc/09/86/80/241098680.db2.gz CANMRBMGNZVCTI-UHFFFAOYSA-N 0 3 272.270 2.535 20 30 CFEDHN COC(=O)CCC(C)(C)NCc1ccc(C#N)c(C)c1 ZINC000446759296 241323975 /nfs/dbraw/zinc/32/39/75/241323975.db2.gz NVTVXPSSTUVKPL-UHFFFAOYSA-N 0 3 274.364 2.688 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000347076565 296093798 /nfs/dbraw/zinc/09/37/98/296093798.db2.gz UBFAMZNELMOHJU-DTWKUNHWSA-N 0 3 268.263 2.625 20 30 CFEDHN CO[C@@H]([C@H](C)NCc1ccc(C#N)c(C)c1)C1CC1 ZINC000449629580 242076464 /nfs/dbraw/zinc/07/64/64/242076464.db2.gz KUQFUYTXXYIDRI-LRDDRELGSA-N 0 3 258.365 2.770 20 30 CFEDHN Cn1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC000449532859 242010102 /nfs/dbraw/zinc/01/01/02/242010102.db2.gz DRLDUCCZWCTBFQ-HZPDHXFCSA-N 0 3 255.365 2.517 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2nccc(C#N)n2)C1 ZINC000450276837 242338213 /nfs/dbraw/zinc/33/82/13/242338213.db2.gz PROGEQWZSBJCGV-CJNGLKHVSA-N 0 3 293.374 2.596 20 30 CFEDHN CCN1CCCC[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450332774 242361026 /nfs/dbraw/zinc/36/10/26/242361026.db2.gz DZQPVKVOQNAVMU-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC12CCC2)C(C)C ZINC000675329854 541642470 /nfs/dbraw/zinc/64/24/70/541642470.db2.gz FRRIAJPVFSEXLD-CVEARBPZSA-N 0 3 290.451 2.991 20 30 CFEDHN C[C@H]1CCC(C)(C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000452005901 243010733 /nfs/dbraw/zinc/01/07/33/243010733.db2.gz KPGJMRLHOACVLB-LBPRGKRZSA-N 0 3 271.364 2.760 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000452083646 243040406 /nfs/dbraw/zinc/04/04/06/243040406.db2.gz MAGASULUZZXGMS-CYBMUJFWSA-N 0 3 276.355 2.946 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000452110474 243048776 /nfs/dbraw/zinc/04/87/76/243048776.db2.gz ZESOHMYGHKLYFQ-CQSZACIVSA-N 0 3 288.391 2.815 20 30 CFEDHN C[C@H](N[C@@H]1CCOC[C@H]1C)c1ccc(C#N)cc1F ZINC000358980133 299391178 /nfs/dbraw/zinc/39/11/78/299391178.db2.gz FHPSPHCQOLBMBR-JRPNMDOOSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@H](NCC1=CCOCC1)c1ccc(C#N)c(F)c1 ZINC000453299975 243501082 /nfs/dbraw/zinc/50/10/82/243501082.db2.gz WNECPVCKOKMNIM-NSHDSACASA-N 0 3 260.312 2.695 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)OCC(F)(F)F)n1 ZINC000155758861 261107397 /nfs/dbraw/zinc/10/73/97/261107397.db2.gz WPFKJPKLWRSKQG-SSDOTTSWSA-N 0 3 292.282 2.979 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000377995141 284121414 /nfs/dbraw/zinc/12/14/14/284121414.db2.gz LGFXNOHUXQHIEI-WFASDCNBSA-N 0 3 286.375 2.750 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC12CCC2 ZINC000373181451 284122020 /nfs/dbraw/zinc/12/20/20/284122020.db2.gz TVLJQYDYZIKTQK-BBRMVZONSA-N 0 3 298.386 2.894 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](O)C(C)(C)C1 ZINC000276117052 193217646 /nfs/dbraw/zinc/21/76/46/193217646.db2.gz YCAOHUCMRIOHKN-IUODEOHRSA-N 0 3 258.365 2.712 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000276372466 193305508 /nfs/dbraw/zinc/30/55/08/193305508.db2.gz HADSAWAANHCQDU-ZFWWWQNUSA-N 0 3 288.391 2.523 20 30 CFEDHN Cc1cc(CN2CC3(CCC3)[C@H]3COC[C@H]32)ccc1C#N ZINC000459742305 245299171 /nfs/dbraw/zinc/29/91/71/245299171.db2.gz YVOWZFDGUYQTGA-DLBZAZTESA-N 0 3 282.387 2.868 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000677477750 541864789 /nfs/dbraw/zinc/86/47/89/541864789.db2.gz WFFALCSJXZIRCM-KRWDZBQOSA-N 0 3 287.403 2.827 20 30 CFEDHN CC[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000030144383 372390691 /nfs/dbraw/zinc/39/06/91/372390691.db2.gz OMZRXACZJARWLP-RHSMWYFYSA-N 0 3 297.402 2.786 20 30 CFEDHN N#Cc1cccc(OCCN2CCc3ccccc3C2)c1 ZINC000034674078 372512917 /nfs/dbraw/zinc/51/29/17/372512917.db2.gz SFOFWGVGCXKFRU-UHFFFAOYSA-N 0 3 278.355 2.995 20 30 CFEDHN C=CCOc1ccccc1CNCCCn1ccnc1 ZINC000034990126 372525621 /nfs/dbraw/zinc/52/56/21/372525621.db2.gz ZBAAMQATGHYHNY-UHFFFAOYSA-N 0 3 271.364 2.628 20 30 CFEDHN C=CCOc1ccccc1CNCCC(=O)N[C@H](C)CC ZINC000037997171 372755903 /nfs/dbraw/zinc/75/59/03/372755903.db2.gz MCCYHGLHOKYMLG-CQSZACIVSA-N 0 3 290.407 2.646 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000042269610 372898158 /nfs/dbraw/zinc/89/81/58/372898158.db2.gz SQCXKNDKGBCOJU-GHMZBOCLSA-N 0 3 266.410 2.706 20 30 CFEDHN CCN(CCOc1ccc(C#N)cc1)Cc1ccncc1 ZINC000042307070 372904656 /nfs/dbraw/zinc/90/46/56/372904656.db2.gz KYBJHTMUACHPTA-UHFFFAOYSA-N 0 3 281.359 2.854 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000431636987 383686835 /nfs/dbraw/zinc/68/68/35/383686835.db2.gz XWPCRKKMJRTVEU-ZTFGCOKTSA-N 0 3 298.430 2.803 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COc1ccc(C)cc1C ZINC000046345383 373050427 /nfs/dbraw/zinc/05/04/27/373050427.db2.gz OPWIVHJFLGTSSN-MRXNPFEDSA-N 0 3 275.392 2.717 20 30 CFEDHN C=CCOc1ccccc1CNCCc1ccncc1 ZINC000048261901 373157340 /nfs/dbraw/zinc/15/73/40/373157340.db2.gz NIXBDWHGDOGMDK-UHFFFAOYSA-N 0 3 268.360 2.979 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)SC)C(C)C ZINC000047851864 373121648 /nfs/dbraw/zinc/12/16/48/373121648.db2.gz BRXKZNZLFZHRFQ-UONOGXRCSA-N 0 3 284.469 2.553 20 30 CFEDHN CC[C@H](CC#N)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000054182723 373504512 /nfs/dbraw/zinc/50/45/12/373504512.db2.gz YOAJADJDSBWLDU-TZMCWYRMSA-N 0 3 276.380 2.917 20 30 CFEDHN CC[C@@H](CC#N)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000054183341 373504960 /nfs/dbraw/zinc/50/49/60/373504960.db2.gz OWMCOSBBLSMIBJ-IRXDYDNUSA-N 0 3 271.408 2.933 20 30 CFEDHN CCN(CCC(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340508 373520386 /nfs/dbraw/zinc/52/03/86/373520386.db2.gz FZQMBYBVXWSNKN-GFCCVEGCSA-N 0 3 260.337 2.504 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1cc(F)ccc1C#N ZINC000451730298 383693095 /nfs/dbraw/zinc/69/30/95/383693095.db2.gz ODHAVISLPOIRHO-MRXNPFEDSA-N 0 3 275.371 2.613 20 30 CFEDHN C=C(C)COc1cc(CN[C@H](C)COC)ccc1OC ZINC000057958552 373618443 /nfs/dbraw/zinc/61/84/43/373618443.db2.gz KPYKBNGUNZMGLM-CYBMUJFWSA-N 0 3 279.380 2.775 20 30 CFEDHN CCN(CCCN1CCCC1)c1snc(C)c1C#N ZINC000289548680 197398010 /nfs/dbraw/zinc/39/80/10/197398010.db2.gz GDBPNSPBKKYQNH-UHFFFAOYSA-N 0 3 278.425 2.635 20 30 CFEDHN N#Cc1cncc(NCCN2CCC3(CCCCC3)CC2)n1 ZINC000333894997 205810802 /nfs/dbraw/zinc/81/08/02/205810802.db2.gz YAOGXEJVLIWUEZ-UHFFFAOYSA-N 0 3 299.422 2.806 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000068048768 374020551 /nfs/dbraw/zinc/02/05/51/374020551.db2.gz WELGUKCZPXTBIP-INIZCTEOSA-N 0 3 275.392 2.717 20 30 CFEDHN C[C@@H](CC#N)N(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000264102952 383697401 /nfs/dbraw/zinc/69/74/01/383697401.db2.gz AMPAUKUZJHCNFM-AWEZNQCLSA-N 0 3 285.391 2.657 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N(CC)CCC#N ZINC000072775218 374284641 /nfs/dbraw/zinc/28/46/41/374284641.db2.gz LQYHNHJHXKIAIJ-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N1CCCCCC1 ZINC000074435906 374420688 /nfs/dbraw/zinc/42/06/88/374420688.db2.gz XREVHMDPGXRAEK-HNNXBMFYSA-N 0 3 299.418 2.781 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)C#N ZINC000076388653 374550537 /nfs/dbraw/zinc/55/05/37/374550537.db2.gz XXBIPZVJVWCWDD-OAHLLOKOSA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NC1CCCCC1 ZINC000076738238 374557536 /nfs/dbraw/zinc/55/75/36/374557536.db2.gz JVDFJXFRTFTBDL-CYBMUJFWSA-N 0 3 252.402 2.722 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(NC(N)=O)cc1 ZINC000079003344 374583107 /nfs/dbraw/zinc/58/31/07/374583107.db2.gz JYYJPBXQZCYSBZ-GFCCVEGCSA-N 0 3 294.358 2.900 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NCCC#N ZINC000089140620 374873391 /nfs/dbraw/zinc/87/33/91/374873391.db2.gz QETHFMGBRQJQDN-OLZOCXBDSA-N 0 3 281.400 2.573 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000246482563 296225399 /nfs/dbraw/zinc/22/53/99/296225399.db2.gz YKMFHJDLBRLRRC-XJKSGUPXSA-N 0 3 281.363 2.548 20 30 CFEDHN C[C@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CCN1C ZINC000090794997 375029561 /nfs/dbraw/zinc/02/95/61/375029561.db2.gz GMGYKLNOTVCNLM-ONGXEEELSA-N 0 3 298.312 2.867 20 30 CFEDHN CC(C)CN(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000092008930 375081310 /nfs/dbraw/zinc/08/13/10/375081310.db2.gz PFVFJFLICMYUDA-UHFFFAOYSA-N 0 3 268.364 2.826 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](OC)C2)cc1 ZINC000091772215 375060629 /nfs/dbraw/zinc/06/06/29/375060629.db2.gz QWSSDMCOOBAPQN-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H](OC)C1 ZINC000091772511 375061368 /nfs/dbraw/zinc/06/13/68/375061368.db2.gz YYFBXEXMJGHLNA-HNNXBMFYSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@H](C#N)CNC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842876 375066515 /nfs/dbraw/zinc/06/65/15/375066515.db2.gz LGTDHLBPQDSJQV-PNESKVBLSA-N 0 3 281.400 2.572 20 30 CFEDHN CC(C)C(=O)N[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092707383 375141770 /nfs/dbraw/zinc/14/17/70/375141770.db2.gz VQXNQVJCCWMISC-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093419472 375237125 /nfs/dbraw/zinc/23/71/25/375237125.db2.gz OQWGCFMBVJVBGA-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@@H](CO)CC(C)(C)C ZINC000451786093 383707357 /nfs/dbraw/zinc/70/73/57/383707357.db2.gz HKVOZDAGVLNWTH-OAHLLOKOSA-N 0 3 290.407 2.796 20 30 CFEDHN CC[C@@H]1CN(CC(C)(C)CCC#N)CCN1CC(F)F ZINC000093767347 375308608 /nfs/dbraw/zinc/30/86/08/375308608.db2.gz QRTGEYKYNVYJPF-CYBMUJFWSA-N 0 3 287.398 2.978 20 30 CFEDHN C=CCOc1cccc(CN2CCCOC[C@@H]2C)c1 ZINC000678273511 541994715 /nfs/dbraw/zinc/99/47/15/541994715.db2.gz KIHLDBADAIQYRS-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN C#CCOc1ccccc1CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000093609790 375272097 /nfs/dbraw/zinc/27/20/97/375272097.db2.gz JDGNMFVVFDYYGL-JQHSSLGASA-N 0 3 299.414 2.944 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](c1ccccc1)C1CCC1 ZINC000104702719 375785799 /nfs/dbraw/zinc/78/57/99/375785799.db2.gz JPUYEXSYRPOHMI-SFHVURJKSA-N 0 3 299.418 2.880 20 30 CFEDHN CN(C(=O)C1CN(C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000571617868 383709906 /nfs/dbraw/zinc/70/99/06/383709906.db2.gz FURJVBIFJNILQX-UHFFFAOYSA-N 0 3 297.402 2.786 20 30 CFEDHN COCC#CCN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000678799442 542072204 /nfs/dbraw/zinc/07/22/04/542072204.db2.gz XOGLZMNTBMRPNH-OAHLLOKOSA-N 0 3 272.392 2.587 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000112703007 375950184 /nfs/dbraw/zinc/95/01/84/375950184.db2.gz FPYGWKUNZYISJW-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000113935588 376042103 /nfs/dbraw/zinc/04/21/03/376042103.db2.gz DTGOVZKKYJAUER-MRXNPFEDSA-N 0 3 258.365 2.807 20 30 CFEDHN CC(C)C[C@H](CNC(=O)/C=C/c1cccc(C#N)c1)N(C)C ZINC000114376449 376061418 /nfs/dbraw/zinc/06/14/18/376061418.db2.gz HWWQXGZPZPBIJJ-KBOKABMXSA-N 0 3 299.418 2.664 20 30 CFEDHN CC(C)[C@@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000117349339 376239583 /nfs/dbraw/zinc/23/95/83/376239583.db2.gz USXYNFUXWPUXJN-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CCC(N)=O)C1 ZINC000118396976 376294027 /nfs/dbraw/zinc/29/40/27/376294027.db2.gz CKZBQDNRKMUTNO-UKRRQHHQSA-N 0 3 285.391 2.597 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000119331464 376395668 /nfs/dbraw/zinc/39/56/68/376395668.db2.gz WTIRYCWTMFQFMD-WDEREUQCSA-N 0 3 265.353 2.938 20 30 CFEDHN C[C@@]1(NCc2cccc(OCCCC#N)c2)CCOC1 ZINC000120207884 376568259 /nfs/dbraw/zinc/56/82/59/376568259.db2.gz OASPOVLRRRXDNF-MRXNPFEDSA-N 0 3 274.364 2.638 20 30 CFEDHN COCC#CCN[C@@H](COc1ccccc1F)C(C)(C)C ZINC000678897723 542090559 /nfs/dbraw/zinc/09/05/59/542090559.db2.gz FYBDMZOYUVYJDT-INIZCTEOSA-N 0 3 293.382 2.859 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccccc2F)n1 ZINC000121950525 376920186 /nfs/dbraw/zinc/92/01/86/376920186.db2.gz MRUIEMPIONBNHR-SECBINFHSA-N 0 3 275.308 2.837 20 30 CFEDHN C=CCOc1cccc(CN2CCC(n3cncn3)CC2)c1 ZINC000122525792 376932749 /nfs/dbraw/zinc/93/27/49/376932749.db2.gz MQOFIHQKZDEVAH-UHFFFAOYSA-N 0 3 298.390 2.680 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2oc(CC)cc2C)CC1 ZINC000123687123 376969456 /nfs/dbraw/zinc/96/94/56/376969456.db2.gz XGIZJBIJXWRSMB-UHFFFAOYSA-N 0 3 290.407 2.921 20 30 CFEDHN C=CCOc1cccc(CN(C)CCn2cccn2)c1 ZINC000125267511 377136589 /nfs/dbraw/zinc/13/65/89/377136589.db2.gz URELOSLOSQYKPT-UHFFFAOYSA-N 0 3 271.364 2.580 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCC(C)(C)CC1 ZINC000127700340 377297421 /nfs/dbraw/zinc/29/74/21/377297421.db2.gz STIMGNJWCTYKPT-AWEZNQCLSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@](C)(O)C2)cc1OC ZINC000129504813 377435969 /nfs/dbraw/zinc/43/59/69/377435969.db2.gz JQKSOUBIRJBYDW-QGZVFWFLSA-N 0 3 291.391 2.607 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130086281 377508568 /nfs/dbraw/zinc/50/85/68/377508568.db2.gz PRFVUPOPFYUFCL-INIZCTEOSA-N 0 3 290.363 2.886 20 30 CFEDHN C=CCN(CCC(=O)N(C)CC)Cc1ccc(OC)cc1 ZINC000130193113 377520987 /nfs/dbraw/zinc/52/09/87/377520987.db2.gz JBZJSZNJTUZFRM-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN COc1ccc(CN(C)CCCn2ccnc2C)cc1C#N ZINC000130566116 377577205 /nfs/dbraw/zinc/57/72/05/377577205.db2.gz XKPXECSZZPCTDY-UHFFFAOYSA-N 0 3 298.390 2.594 20 30 CFEDHN CCOCCC1(CNCc2ccc(C#N)o2)CCC1 ZINC000130807922 377615260 /nfs/dbraw/zinc/61/52/60/377615260.db2.gz QFRIZIKHZCFPQP-UHFFFAOYSA-N 0 3 262.353 2.838 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000135026164 378075072 /nfs/dbraw/zinc/07/50/72/378075072.db2.gz FLHHQQHCTNJPCY-MRXNPFEDSA-N 0 3 264.413 2.745 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1ccc(C#N)cc1F ZINC000136307158 378194274 /nfs/dbraw/zinc/19/42/74/378194274.db2.gz LVVMSNOWJYZMIZ-UHFFFAOYSA-N 0 3 286.354 2.724 20 30 CFEDHN C[C@@H](NCCC(=O)N1CCCCC1)c1cccc(C#N)c1 ZINC000135725376 378161517 /nfs/dbraw/zinc/16/15/17/378161517.db2.gz ASRBLAXMJYWYJJ-CQSZACIVSA-N 0 3 285.391 2.611 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000150845804 378276043 /nfs/dbraw/zinc/27/60/43/378276043.db2.gz KLVHBAYYAVICEP-ZFWWWQNUSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCCCCCN(C)Cc1cc(=O)n2ccsc2n1 ZINC000150880740 378277862 /nfs/dbraw/zinc/27/78/62/378277862.db2.gz SLZLYCMULJOKMB-UHFFFAOYSA-N 0 3 291.420 2.934 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000150891261 378278022 /nfs/dbraw/zinc/27/80/22/378278022.db2.gz RAMBQYBHEONJDM-MRXNPFEDSA-N 0 3 279.428 2.719 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)CN1C1CC1 ZINC000329218060 378448310 /nfs/dbraw/zinc/44/83/10/378448310.db2.gz RGNPYPIDRVQGQR-QVHKTLOISA-N 0 3 280.412 2.509 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)Nc1ncc(C)s1 ZINC000329174480 378448480 /nfs/dbraw/zinc/44/84/80/378448480.db2.gz LRWNKTXTFBCIEH-NSHDSACASA-N 0 3 282.413 2.652 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)ccc1F ZINC000152849757 378452772 /nfs/dbraw/zinc/45/27/72/378452772.db2.gz FYINDCLVKJJNID-CJNGLKHVSA-N 0 3 274.339 2.698 20 30 CFEDHN Cc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cnn1C(C)C ZINC000329347382 378456128 /nfs/dbraw/zinc/45/61/28/378456128.db2.gz RTDOIISNHSTWLO-GFCCVEGCSA-N 0 3 290.411 2.727 20 30 CFEDHN C[C@H]1CCCN(CCNC(=O)c2c[nH]c3cccnc23)C1 ZINC000328778781 378423324 /nfs/dbraw/zinc/42/33/24/378423324.db2.gz LYMXTXYOWNTKBI-LBPRGKRZSA-N 0 3 286.379 2.599 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC(=O)N1 ZINC000329681721 378481022 /nfs/dbraw/zinc/48/10/22/378481022.db2.gz SBMGMJUJAZEMSV-WUHRBBMRSA-N 0 3 293.411 2.713 20 30 CFEDHN CCCCCNC(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000330441385 378556067 /nfs/dbraw/zinc/55/60/67/378556067.db2.gz UXHYXKLTLCXRAG-HOCLYGCPSA-N 0 3 291.439 2.697 20 30 CFEDHN CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000330330955 378535772 /nfs/dbraw/zinc/53/57/72/378535772.db2.gz XHEAGGZDLBHCDE-MELADBBJSA-N 0 3 280.412 2.509 20 30 CFEDHN CCOc1cccnc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000331099216 378632770 /nfs/dbraw/zinc/63/27/70/378632770.db2.gz APBUKVRBZUYTNE-ZDUSSCGKSA-N 0 3 291.395 2.517 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC000330663392 378594713 /nfs/dbraw/zinc/59/47/13/378594713.db2.gz DZJLDUJENFFUEF-AWEZNQCLSA-N 0 3 292.427 2.817 20 30 CFEDHN CC#CCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000155051183 378610462 /nfs/dbraw/zinc/61/04/62/378610462.db2.gz ITVLGLYTUDGHBU-UHFFFAOYSA-N 0 3 296.414 2.957 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCCCCC1 ZINC000155143028 378613094 /nfs/dbraw/zinc/61/30/94/378613094.db2.gz CHAJKOFMMJEUMB-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)cc2F)n1 ZINC000155400075 378625149 /nfs/dbraw/zinc/62/51/49/378625149.db2.gz RAJYSGUDOAHQIO-VIFPVBQESA-N 0 3 293.298 2.976 20 30 CFEDHN CO[C@@H]1CC[C@H]2OCCN(CCCC(C)(C)C#N)[C@H]2C1 ZINC000157880027 378660653 /nfs/dbraw/zinc/66/06/53/378660653.db2.gz MXBVBAORLFZPOB-QLFBSQMISA-N 0 3 280.412 2.585 20 30 CFEDHN COc1cc(CNC[C@@H]2CCC(C)(C)O2)ccc1C#N ZINC000331290070 378665195 /nfs/dbraw/zinc/66/51/95/378665195.db2.gz KAQKHKOPBULEMC-AWEZNQCLSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C(C)CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000156811942 378646150 /nfs/dbraw/zinc/64/61/50/378646150.db2.gz RVCKOJYGTZPYRM-UHFFFAOYSA-N 0 3 287.407 2.526 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159721735 378726234 /nfs/dbraw/zinc/72/62/34/378726234.db2.gz STKMDRCNVKTFOE-ZBFHGGJFSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCN1CCC(Nc2ccc(Cl)cn2)CC1 ZINC000266202970 190239775 /nfs/dbraw/zinc/23/97/75/190239775.db2.gz KCTQVRNIDAGAPP-UHFFFAOYSA-N 0 3 251.761 2.797 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000332474946 378768445 /nfs/dbraw/zinc/76/84/45/378768445.db2.gz WIULHRRJLXBXQH-UHFFFAOYSA-N 0 3 296.374 2.670 20 30 CFEDHN CC[C@H](C)[C@H](C)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000332407229 378759366 /nfs/dbraw/zinc/75/93/66/378759366.db2.gz MFMILOGSBNCSNZ-GVXVVHGQSA-N 0 3 291.420 2.749 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000161211819 378831617 /nfs/dbraw/zinc/83/16/17/378831617.db2.gz SBFFRKYMXBVKLM-INIZCTEOSA-N 0 3 289.423 2.679 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000161680230 378864292 /nfs/dbraw/zinc/86/42/92/378864292.db2.gz NACACVOWQLVDFP-DZGCQCFKSA-N 0 3 299.418 2.717 20 30 CFEDHN CC#CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000278516512 194022571 /nfs/dbraw/zinc/02/25/71/194022571.db2.gz BZRLEOYIRZVYJF-CQSZACIVSA-N 0 3 290.432 2.661 20 30 CFEDHN Cc1nc(CCN(C)Cc2ccc(C#N)cc2)cs1 ZINC000163501289 378976848 /nfs/dbraw/zinc/97/68/48/378976848.db2.gz DTDGMVZKMXCBAN-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN CC[C@H](N[C@@H](C)Cn1cccn1)c1ccc(C#N)cc1 ZINC000278699206 194109262 /nfs/dbraw/zinc/10/92/62/194109262.db2.gz KXDHJWWPGBOHHR-BBRMVZONSA-N 0 3 268.364 2.884 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2ccncc2C)CC1 ZINC000278748856 194136906 /nfs/dbraw/zinc/13/69/06/194136906.db2.gz WYMCFFRNAHWMPY-HNNXBMFYSA-N 0 3 290.407 2.560 20 30 CFEDHN N#Cc1ccccc1CSCCNCc1ccncc1 ZINC000170670696 379136401 /nfs/dbraw/zinc/13/64/01/379136401.db2.gz ZDYIIINKRFLEMR-UHFFFAOYSA-N 0 3 283.400 2.976 20 30 CFEDHN CCOCC(C)(C)NCc1ccc(C#N)c(F)c1 ZINC000339361466 220262646 /nfs/dbraw/zinc/26/26/46/220262646.db2.gz IOBWMQROQSFSIQ-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN N#Cc1cc(NC(=O)C23CCCN2CCC3)ccc1Cl ZINC000334348589 379135199 /nfs/dbraw/zinc/13/51/99/379135199.db2.gz ZAYZSNGCTCDBSP-UHFFFAOYSA-N 0 3 289.766 2.779 20 30 CFEDHN COc1cccc2c1CCN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000334364795 379164407 /nfs/dbraw/zinc/16/44/07/379164407.db2.gz HBYPKZNPRFJBOU-DZGCQCFKSA-N 0 3 270.376 2.788 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335366559 379170119 /nfs/dbraw/zinc/17/01/19/379170119.db2.gz CEIUTXPPHOBZGP-IAGOWNOFSA-N 0 3 270.376 2.949 20 30 CFEDHN CC[C@@H](NCc1cnn(C)c1C)c1ccc(C#N)cc1 ZINC000278907057 194205336 /nfs/dbraw/zinc/20/53/36/194205336.db2.gz ZWDFEMWIQOMONQ-MRXNPFEDSA-N 0 3 268.364 2.841 20 30 CFEDHN C=CCN(CCCCCO)Cc1ccc(OC)cc1 ZINC000171145330 379245463 /nfs/dbraw/zinc/24/54/63/379245463.db2.gz MBLXUWQMYPNIEN-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN COCCN(CCCOC(C)C)Cc1ccc(C#N)cc1 ZINC000171500476 379322419 /nfs/dbraw/zinc/32/24/19/379322419.db2.gz CLDUHFSQQWLPRI-UHFFFAOYSA-N 0 3 290.407 2.822 20 30 CFEDHN C[C@@H]1[C@H](C)N(C)CCN1CC#Cc1cccc(Cl)c1 ZINC000334451997 379323246 /nfs/dbraw/zinc/32/32/46/379323246.db2.gz XFHQGWIGRMLRSS-UONOGXRCSA-N 0 3 276.811 2.716 20 30 CFEDHN C[C@@H]1[C@H](C)N(CC#Cc2cccc(Cl)c2)CCN1C ZINC000334451996 379323919 /nfs/dbraw/zinc/32/39/19/379323919.db2.gz XFHQGWIGRMLRSS-KGLIPLIRSA-N 0 3 276.811 2.716 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2ccccc2Cl)CC1 ZINC000171724535 379385635 /nfs/dbraw/zinc/38/56/35/379385635.db2.gz NHQWVUUXXQURAD-UHFFFAOYSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)ccc2C)CC1 ZINC000171725120 379388067 /nfs/dbraw/zinc/38/80/67/379388067.db2.gz IZALLDALRCLQEI-UHFFFAOYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(C)ccc2F)CC1 ZINC000171738766 379388873 /nfs/dbraw/zinc/38/88/73/379388873.db2.gz OLAJKVHQBCDFDB-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000171680065 379368818 /nfs/dbraw/zinc/36/88/18/379368818.db2.gz WQFODTHSJGWFGP-UHFFFAOYSA-N 0 3 273.380 2.767 20 30 CFEDHN CN(CCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000172073591 379485093 /nfs/dbraw/zinc/48/50/93/379485093.db2.gz ZQNHVBZIRLIIER-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000334570767 379549076 /nfs/dbraw/zinc/54/90/76/379549076.db2.gz PYONZOMPQRGKSQ-NOZJJQNGSA-N 0 3 296.729 2.539 20 30 CFEDHN C=CCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334638588 379684150 /nfs/dbraw/zinc/68/41/50/379684150.db2.gz ZVDTUULPKPJNFQ-INIZCTEOSA-N 0 3 257.333 2.672 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000173435807 379738043 /nfs/dbraw/zinc/73/80/43/379738043.db2.gz QLTDHZRYONABST-JTQLQIEISA-N 0 3 255.333 2.982 20 30 CFEDHN C[C@@H](NCCNC(=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000173867149 379790364 /nfs/dbraw/zinc/79/03/64/379790364.db2.gz NLWSVXHXQLDDHI-CQSZACIVSA-N 0 3 293.370 2.639 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000264441390 383740396 /nfs/dbraw/zinc/74/03/96/383740396.db2.gz FVAYOFBAQHURGR-UHFFFAOYSA-N 0 3 289.335 2.575 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1cccc(F)c1 ZINC000174237875 379849006 /nfs/dbraw/zinc/84/90/06/379849006.db2.gz LHYQLKUJKBKFSD-INIZCTEOSA-N 0 3 287.338 2.683 20 30 CFEDHN CC(C)(C)c1n[nH]cc1CNCCOc1ccc(C#N)cc1 ZINC000174560187 379909143 /nfs/dbraw/zinc/90/91/43/379909143.db2.gz ZIHBGFPIUSGDIU-UHFFFAOYSA-N 0 3 298.390 2.747 20 30 CFEDHN C[C@@H](CCc1cccn1C)NCc1ccc(C#N)o1 ZINC000174567563 379910077 /nfs/dbraw/zinc/91/00/77/379910077.db2.gz BEWLJAPDIUZFKS-LBPRGKRZSA-N 0 3 257.337 2.601 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)N(C)Cc1ccccc1 ZINC000174375811 379872559 /nfs/dbraw/zinc/87/25/59/379872559.db2.gz ZUMHOJZWNMNIEL-AWEZNQCLSA-N 0 3 283.375 2.761 20 30 CFEDHN COc1cccc(C2(F)CCN(C(=O)C(C)C#N)CC2)c1 ZINC000335778232 379873623 /nfs/dbraw/zinc/87/36/23/379873623.db2.gz KIFCXTSFAKVDHE-GFCCVEGCSA-N 0 3 290.338 2.642 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)Oc1ccccc1 ZINC000174393757 379876480 /nfs/dbraw/zinc/87/64/80/379876480.db2.gz RZTUSLXRWSCVBA-LBPRGKRZSA-N 0 3 256.305 2.708 20 30 CFEDHN CC(C#N)C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000335785499 379885793 /nfs/dbraw/zinc/88/57/93/379885793.db2.gz RJMFYHJFMPQWEZ-JTZLXEIQSA-N 0 3 280.730 2.943 20 30 CFEDHN C=CCN1C(=O)c2ccccc2N[C@@]12CCN(C)[C@H](C)C2 ZINC000334879821 379937918 /nfs/dbraw/zinc/93/79/18/379937918.db2.gz DEAUCJQTFOSJQE-DYVFJYSZSA-N 0 3 285.391 2.551 20 30 CFEDHN C#Cc1cccc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000174784531 379939392 /nfs/dbraw/zinc/93/93/92/379939392.db2.gz PJEDRWMCDMIRBJ-CZUORRHYSA-N 0 3 285.391 2.614 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000335858076 380005592 /nfs/dbraw/zinc/00/55/92/380005592.db2.gz QIWOAHOXMCDSCR-MRVPVSSYSA-N 0 3 254.692 2.597 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCc3cn[nH]c32)cc1F ZINC000335233941 380053826 /nfs/dbraw/zinc/05/38/26/380053826.db2.gz TYIRKIFTDKZTLP-AWEZNQCLSA-N 0 3 270.311 2.588 20 30 CFEDHN N#Cc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000335249407 380080125 /nfs/dbraw/zinc/08/01/25/380080125.db2.gz PTMADJSNXUIOSD-MSOLQXFVSA-N 0 3 278.355 2.866 20 30 CFEDHN C[C@@H](CC#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000175789691 380131341 /nfs/dbraw/zinc/13/13/41/380131341.db2.gz OWCDMWQWFAKQGS-NSHDSACASA-N 0 3 285.347 2.526 20 30 CFEDHN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)[C@@H](C)CN1C ZINC000335938632 380131610 /nfs/dbraw/zinc/13/16/10/380131610.db2.gz CGFKSIBWBCURAB-KBPBESRZSA-N 0 3 276.811 2.716 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)cc2F)CC1 ZINC000176523438 380249085 /nfs/dbraw/zinc/24/90/85/380249085.db2.gz BHDIXEATAPQMID-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000336097517 380266714 /nfs/dbraw/zinc/26/67/14/380266714.db2.gz ILLQSVHQWLNWQX-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN COc1ccc2c(c1)CCN([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000336363148 380330375 /nfs/dbraw/zinc/33/03/75/380330375.db2.gz DTEYHPWSISRNRJ-XJKSGUPXSA-N 0 3 270.376 2.788 20 30 CFEDHN N#Cc1ccc(CNCCOc2cccc(F)c2)s1 ZINC000176952702 380286083 /nfs/dbraw/zinc/28/60/83/380286083.db2.gz JQKNIJJBAAZBCB-UHFFFAOYSA-N 0 3 276.336 2.927 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)N1CCC[C@H](C)C1 ZINC000176947783 380286824 /nfs/dbraw/zinc/28/68/24/380286824.db2.gz HWNPBFIYLHMPGB-STQMWFEESA-N 0 3 277.437 2.830 20 30 CFEDHN CC[C@H]1CCCCN1CCNCc1ccc(C#N)s1 ZINC000176969054 380287900 /nfs/dbraw/zinc/28/79/00/380287900.db2.gz PYNYZVRUWVKISZ-ZDUSSCGKSA-N 0 3 277.437 2.974 20 30 CFEDHN N#CCSCCCN1CCS[C@H]2CCCC[C@H]21 ZINC000177189249 380312666 /nfs/dbraw/zinc/31/26/66/380312666.db2.gz JWPMJLNWCTZCRK-OLZOCXBDSA-N 0 3 270.467 2.993 20 30 CFEDHN CC[C@H]1CCCCN1CCNCc1cc(C#N)cs1 ZINC000177700047 380370732 /nfs/dbraw/zinc/37/07/32/380370732.db2.gz DXJKPSUJJNWCEJ-AWEZNQCLSA-N 0 3 277.437 2.974 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000336393724 380337711 /nfs/dbraw/zinc/33/77/11/380337711.db2.gz NKZKGVYKUBJTKI-CZUORRHYSA-N 0 3 256.349 2.726 20 30 CFEDHN N#Cc1cccc(NC(=O)CN2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000177536393 380351301 /nfs/dbraw/zinc/35/13/01/380351301.db2.gz APCQMDXEKFPHPA-HUUCEWRRSA-N 0 3 283.375 2.619 20 30 CFEDHN N#Cc1ccc(NC(=O)CN2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000177528235 380351767 /nfs/dbraw/zinc/35/17/67/380351767.db2.gz ZJBGOHBYSNKSMW-HUUCEWRRSA-N 0 3 283.375 2.619 20 30 CFEDHN C=C(C)CN1CCC(Nc2cncc(Cl)n2)CC1 ZINC000264484337 383746137 /nfs/dbraw/zinc/74/61/37/383746137.db2.gz MBKRSMTUNGNLPM-UHFFFAOYSA-N 0 3 266.776 2.582 20 30 CFEDHN Cc1cc(CN2CCC[C@](C)(O)CC2)ccc1C#N ZINC000336608163 380539608 /nfs/dbraw/zinc/53/96/08/380539608.db2.gz QCXSUDCQVBTRMX-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN C=CCN(CC=C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179463463 380547645 /nfs/dbraw/zinc/54/76/45/380547645.db2.gz OSWPBADOBHOMRJ-IRXDYDNUSA-N 0 3 299.418 2.815 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1F ZINC000336615409 380552444 /nfs/dbraw/zinc/55/24/44/380552444.db2.gz GTYMPXYJPROCCA-UKRRQHHQSA-N 0 3 274.339 2.556 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC000179789996 380579798 /nfs/dbraw/zinc/57/97/98/380579798.db2.gz GXTJQJWBRJUSMZ-KBPBESRZSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1cccs1)C1CCCC1 ZINC000179907370 380595864 /nfs/dbraw/zinc/59/58/64/380595864.db2.gz DPEYLIXAKYPJSO-OAHLLOKOSA-N 0 3 278.421 2.871 20 30 CFEDHN CC[C@H]1Oc2cc([C@@H](C)NCCCC#N)ccc2NC1=O ZINC000180031031 380611859 /nfs/dbraw/zinc/61/18/59/380611859.db2.gz NVQRJVMUPGVWCY-BXUZGUMPSA-N 0 3 287.363 2.750 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000181090721 380737267 /nfs/dbraw/zinc/73/72/67/380737267.db2.gz RNWDTSHHQNAKTI-KKUMJFAQSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000181437021 380792373 /nfs/dbraw/zinc/79/23/73/380792373.db2.gz XLTBNVAAHWZHGW-IUODEOHRSA-N 0 3 285.334 2.569 20 30 CFEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCCC#N)C[C@H]2C1 ZINC000400938034 380866349 /nfs/dbraw/zinc/86/63/49/380866349.db2.gz RMZSOFOIKUCDAV-MELADBBJSA-N 0 3 293.411 2.525 20 30 CFEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCCC#N)C[C@H]2C1 ZINC000400938033 380867577 /nfs/dbraw/zinc/86/75/77/380867577.db2.gz RMZSOFOIKUCDAV-IHRRRGAJSA-N 0 3 293.411 2.525 20 30 CFEDHN C=CC[C@H](CO)CNCc1cnc(C2CCC2)s1 ZINC000341261895 380876447 /nfs/dbraw/zinc/87/64/47/380876447.db2.gz DWEIDMZCGGEROA-NSHDSACASA-N 0 3 266.410 2.685 20 30 CFEDHN C=CCC[C@H](NCC1(N2CCOCC2)CC1)c1ccco1 ZINC000287464170 380837194 /nfs/dbraw/zinc/83/71/94/380837194.db2.gz MADMICFDXXEWTP-HNNXBMFYSA-N 0 3 290.407 2.741 20 30 CFEDHN C=CCC[C@@H](NCC1([S@](C)=O)CC1)c1ccco1 ZINC000287490904 380843827 /nfs/dbraw/zinc/84/38/27/380843827.db2.gz NHUYFSXVQVOPIA-XIKOKIGWSA-N 0 3 267.394 2.788 20 30 CFEDHN COC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000358436714 380846048 /nfs/dbraw/zinc/84/60/48/380846048.db2.gz SBNMMKBTADBXGR-NSHDSACASA-N 0 3 262.328 2.917 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc2c(c1)CCO2 ZINC000181766806 380890214 /nfs/dbraw/zinc/89/02/14/380890214.db2.gz GGTNKTSFNOJUGM-CYBMUJFWSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2ccc(OC)cc21 ZINC000181766099 380891213 /nfs/dbraw/zinc/89/12/13/380891213.db2.gz DVGBANVYHHRWNL-INIZCTEOSA-N 0 3 261.365 2.865 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000404153465 380903002 /nfs/dbraw/zinc/90/30/02/380903002.db2.gz UFDDKBSAQZCDTF-KGLIPLIRSA-N 0 3 262.328 2.600 20 30 CFEDHN CC(C)SCCNCc1ccc(C#N)c(F)c1 ZINC000404148185 380903612 /nfs/dbraw/zinc/90/36/12/380903612.db2.gz QADUWCCAQVIMRX-UHFFFAOYSA-N 0 3 252.358 2.929 20 30 CFEDHN Cc1cccc([C@H](NC(=O)C(C)C#N)C(F)(F)F)c1 ZINC000358530269 380906437 /nfs/dbraw/zinc/90/64/37/380906437.db2.gz FQPLOWNQXFKUJB-ONGXEEELSA-N 0 3 270.254 2.874 20 30 CFEDHN N#CCNC(=O)CN[C@H](CC1CCCCC1)c1ccccc1 ZINC000181828728 380907706 /nfs/dbraw/zinc/90/77/06/380907706.db2.gz OOGYPPQPBAHGSM-QGZVFWFLSA-N 0 3 299.418 2.927 20 30 CFEDHN C[C@H](O)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000341294942 380909861 /nfs/dbraw/zinc/90/98/61/380909861.db2.gz HXOZMUGJZUHSBT-DCAQKATOSA-N 0 3 250.317 2.507 20 30 CFEDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358556523 380923075 /nfs/dbraw/zinc/92/30/75/380923075.db2.gz BIVGPVHUYGQMHU-FDMGOTLNSA-N 0 3 282.384 2.505 20 30 CFEDHN C[C@@H]1C[C@]2(CCO1)CN(CCC(C)(C)C#N)C[C@H](C)O2 ZINC000347075631 380923333 /nfs/dbraw/zinc/92/33/33/380923333.db2.gz FFEFUATZSMAJKW-IJEWVQPXSA-N 0 3 280.412 2.585 20 30 CFEDHN Cc1sc(NC(=O)CN[C@H]2CCC[C@H]2C)c(C#N)c1C ZINC000279262582 194357599 /nfs/dbraw/zinc/35/75/99/194357599.db2.gz MJVVNOJTHSNOKR-RNCFNFMXSA-N 0 3 291.420 2.953 20 30 CFEDHN C[C@@]1(NCc2cc(C#N)ccc2F)CCO[C@H]1C1CC1 ZINC000368189234 380952559 /nfs/dbraw/zinc/95/25/59/380952559.db2.gz PHXQSAWESDMPNQ-JKSUJKDBSA-N 0 3 274.339 2.745 20 30 CFEDHN CN(CCOc1cccnc1C#N)Cc1ccc(F)cc1 ZINC000358595817 380957870 /nfs/dbraw/zinc/95/78/70/380957870.db2.gz LXLXAUIOVUCRAL-UHFFFAOYSA-N 0 3 285.322 2.603 20 30 CFEDHN C=C(CC)CN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000358623235 380974066 /nfs/dbraw/zinc/97/40/66/380974066.db2.gz HMRGGNGSARBDNC-UHFFFAOYSA-N 0 3 290.382 2.986 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000287800524 380942422 /nfs/dbraw/zinc/94/24/22/380942422.db2.gz JOXQHBRVMJHAKV-CBAPKCEASA-N 0 3 282.800 2.563 20 30 CFEDHN C[C@H](NC[C@@](C)(O)C1CC1)c1ccc(C#N)cc1F ZINC000358580602 380945699 /nfs/dbraw/zinc/94/56/99/380945699.db2.gz YEQIHWPGBFJVHE-ZUZCIYMTSA-N 0 3 262.328 2.509 20 30 CFEDHN N#CC1(CCN2CCC[C@H](CO)C2)CCCCC1 ZINC000411144610 381013568 /nfs/dbraw/zinc/01/35/68/381013568.db2.gz ACVGWRDJUBNVGR-AWEZNQCLSA-N 0 3 250.386 2.555 20 30 CFEDHN CC(=O)N(C)C1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411215207 381017900 /nfs/dbraw/zinc/01/79/00/381017900.db2.gz CBRHVFINEOUZQI-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(C2CC2)C1=O ZINC000411263246 381020175 /nfs/dbraw/zinc/02/01/75/381020175.db2.gz STOXSRYIOPPGMB-MRXNPFEDSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)N(C)CCC#N ZINC000411253930 381021509 /nfs/dbraw/zinc/02/15/09/381021509.db2.gz FEVKLNMEBOAANV-HNNXBMFYSA-N 0 3 291.439 2.815 20 30 CFEDHN CC(=O)c1ccc2c(c1)CCN([C@H](C)CCC#N)CC2 ZINC000411408450 381025791 /nfs/dbraw/zinc/02/57/91/381025791.db2.gz PSGBWALRIIVNJG-CYBMUJFWSA-N 0 3 270.376 2.982 20 30 CFEDHN C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1(C)C ZINC000354024457 381026989 /nfs/dbraw/zinc/02/69/89/381026989.db2.gz PEKJLCBLVHAZKV-AWEZNQCLSA-N 0 3 299.418 2.542 20 30 CFEDHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)CCC#N)c1 ZINC000411443365 381029499 /nfs/dbraw/zinc/02/94/99/381029499.db2.gz IIBDLEQXLWEYBR-NEPJUHHUSA-N 0 3 259.353 2.988 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347284385 381047159 /nfs/dbraw/zinc/04/71/59/381047159.db2.gz BRQZHQLEEUFJSR-GOEBONIOSA-N 0 3 264.413 2.722 20 30 CFEDHN C#C[C@@H](NCc1ccc(-c2cnn(C)c2)s1)C(C)C ZINC000289592399 381059626 /nfs/dbraw/zinc/05/96/26/381059626.db2.gz UPXMHPHGVDUNIT-CQSZACIVSA-N 0 3 273.405 2.896 20 30 CFEDHN COc1ccc(OC)c(CNCCc2cccc(C#N)c2)c1 ZINC000341470938 381032347 /nfs/dbraw/zinc/03/23/47/381032347.db2.gz CCDWWDFZALKGOC-UHFFFAOYSA-N 0 3 296.370 2.908 20 30 CFEDHN CC#CCCNCc1cnc2ccc(Br)cn12 ZINC000354177506 381121575 /nfs/dbraw/zinc/12/15/75/381121575.db2.gz HPWOCTAVWQHAGZ-UHFFFAOYSA-N 0 3 292.180 2.600 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1Cc1ccc(C#N)s1 ZINC000289671484 381093626 /nfs/dbraw/zinc/09/36/26/381093626.db2.gz NPERKYAUSGPOQF-STQMWFEESA-N 0 3 275.421 2.678 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCSc2cc(C)c(C)cc21 ZINC000289682772 381100466 /nfs/dbraw/zinc/10/04/66/381100466.db2.gz HTYYPYPXBAOKFC-GXTWGEPZSA-N 0 3 263.406 2.977 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000368658802 381102682 /nfs/dbraw/zinc/10/26/82/381102682.db2.gz KMBONYABSOKZFA-AWEZNQCLSA-N 0 3 276.355 2.946 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000368755380 381124529 /nfs/dbraw/zinc/12/45/29/381124529.db2.gz GMXVBPZXCXRILI-MRXNPFEDSA-N 0 3 278.359 2.728 20 30 CFEDHN C=C[C@H](CO)NC1CC(c2cccc(Br)c2)C1 ZINC000289726492 381124481 /nfs/dbraw/zinc/12/44/81/381124481.db2.gz JWGSQZLOVWWIBU-HRDQMINSSA-N 0 3 296.208 2.832 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2c(Cl)cccc21 ZINC000289731392 381125976 /nfs/dbraw/zinc/12/59/76/381125976.db2.gz KCVNPBLUUTUABA-YGRLFVJLSA-N 0 3 251.757 2.854 20 30 CFEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)CCC1(F)F ZINC000289827173 381177264 /nfs/dbraw/zinc/17/72/64/381177264.db2.gz OLAAYRWQCOAISI-LBPRGKRZSA-N 0 3 280.318 2.914 20 30 CFEDHN N#Cc1ccc(CNCCSCC(F)(F)F)o1 ZINC000354289560 381187373 /nfs/dbraw/zinc/18/73/73/381187373.db2.gz LFBNWEWKLJRLGO-UHFFFAOYSA-N 0 3 264.272 2.536 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000289855559 381190091 /nfs/dbraw/zinc/19/00/91/381190091.db2.gz QSWXPKJUXHVCMI-APPZFPTMSA-N 0 3 275.179 2.773 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](CC)OC)cc1OC ZINC000289876455 381197394 /nfs/dbraw/zinc/19/73/94/381197394.db2.gz RNCWDPWECRFAJC-AWEZNQCLSA-N 0 3 279.380 2.775 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(C(C)C)n2)CC1 ZINC000354313822 381198822 /nfs/dbraw/zinc/19/88/22/381198822.db2.gz VGKCQZWMOCZCAO-UHFFFAOYSA-N 0 3 287.407 2.585 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289879633 381199766 /nfs/dbraw/zinc/19/97/66/381199766.db2.gz RXZSKYOYJKOSLS-ABAIWWIYSA-N 0 3 256.349 2.682 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(C#N)c2F)[C@H]2CCCO[C@@H]21 ZINC000358992834 381202156 /nfs/dbraw/zinc/20/21/56/381202156.db2.gz AAKFTCQTLONFLW-BMFZPTHFSA-N 0 3 288.366 2.991 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000289990159 381251626 /nfs/dbraw/zinc/25/16/26/381251626.db2.gz YKPMUVUGKAEEKS-ZYHUDNBSSA-N 0 3 273.298 2.773 20 30 CFEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(C#N)s1 ZINC000183301544 381251993 /nfs/dbraw/zinc/25/19/93/381251993.db2.gz LVSLBGWYIVKMPJ-JJMVLAAESA-N 0 3 284.384 2.929 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000290012370 381260436 /nfs/dbraw/zinc/26/04/36/381260436.db2.gz ZZXJGFCWUDGURR-UONOGXRCSA-N 0 3 290.407 2.664 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCCCC)c1 ZINC000290013503 381260505 /nfs/dbraw/zinc/26/05/05/381260505.db2.gz YYYYLYMWOUJVLI-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN N#Cc1cccc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000290020569 381266196 /nfs/dbraw/zinc/26/61/96/381266196.db2.gz ZLBUXRGIAIGFHY-RBUKOAKNSA-N 0 3 292.382 2.814 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000359030987 381223576 /nfs/dbraw/zinc/22/35/76/381223576.db2.gz PHNGRFWVSKEOBU-RHSMWYFYSA-N 0 3 299.418 3.000 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OC)c(OCCCCC)c1 ZINC000289951697 381229107 /nfs/dbraw/zinc/22/91/07/381229107.db2.gz UWVJWYHUBZJEMA-HNNXBMFYSA-N 0 3 293.407 2.901 20 30 CFEDHN N#CC(C(=O)c1ccc(-c2cnco2)cc1)c1ccncn1 ZINC000354410282 381249685 /nfs/dbraw/zinc/24/96/85/381249685.db2.gz KUVGJHGMESSFAP-ZDUSSCGKSA-N 0 3 290.282 2.622 20 30 CFEDHN CN1CC[C@@H](CNc2nccnc2C#N)[C@@H]1c1cccs1 ZINC000369561063 381288387 /nfs/dbraw/zinc/28/83/87/381288387.db2.gz MQITYLPLLPGOKK-SMDDNHRTSA-N 0 3 299.403 2.515 20 30 CFEDHN C=CC[C@@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000342359562 381294094 /nfs/dbraw/zinc/29/40/94/381294094.db2.gz MCZKNCFMVFPXAU-KGLIPLIRSA-N 0 3 252.402 2.578 20 30 CFEDHN C#Cc1ccc(CN(C)[C@H](CO)c2ccc(OC)cc2)cc1 ZINC000290093864 381295912 /nfs/dbraw/zinc/29/59/12/381295912.db2.gz RLKACBWKPRGTPS-LJQANCHMSA-N 0 3 295.382 2.842 20 30 CFEDHN C#C[C@H](NCc1cc(OC)c(OC)c(OC)c1)C(C)(C)C ZINC000290055204 381279726 /nfs/dbraw/zinc/27/97/26/381279726.db2.gz DYEBAOVBQDTYIO-HNNXBMFYSA-N 0 3 291.391 2.850 20 30 CFEDHN CCCCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C1(C)C ZINC000354511971 381311495 /nfs/dbraw/zinc/31/14/95/381311495.db2.gz NKTWJBDTSKXNKP-JHJVBQTASA-N 0 3 266.385 2.588 20 30 CFEDHN CC[C@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000183745141 381312667 /nfs/dbraw/zinc/31/26/67/381312667.db2.gz QAHGHIHHZLVVPT-KRWDZBQOSA-N 0 3 271.408 2.887 20 30 CFEDHN C=CCC[C@@H](O)CN(C)C[C@H](C)c1nccs1 ZINC000183956883 381346124 /nfs/dbraw/zinc/34/61/24/381346124.db2.gz CEIKSLRFVAPNRN-NWDGAFQWSA-N 0 3 254.399 2.506 20 30 CFEDHN C#C[C@H](NCc1ccc(OC)c(OC)c1)C(C)(C)C ZINC000290222531 381347951 /nfs/dbraw/zinc/34/79/51/381347951.db2.gz RXDIKLCVTPDCRZ-HNNXBMFYSA-N 0 3 261.365 2.841 20 30 CFEDHN CCC(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000049457648 412944746 /nfs/dbraw/zinc/94/47/46/412944746.db2.gz YBAZPTXMKGSZLX-CQSZACIVSA-N 0 3 293.326 2.920 20 30 CFEDHN C#C[C@@H](NCc1cc(OC)c(O)c(OC)c1)C(C)(C)C ZINC000290245878 381356964 /nfs/dbraw/zinc/35/69/64/381356964.db2.gz VDHDBIHCPCSTEI-CQSZACIVSA-N 0 3 277.364 2.547 20 30 CFEDHN Cc1nccn1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347974553 381439762 /nfs/dbraw/zinc/43/97/62/381439762.db2.gz QDQGPDXEKWDXCC-UHFFFAOYSA-N 0 3 292.386 2.853 20 30 CFEDHN C=CCOCCCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348234288 381473254 /nfs/dbraw/zinc/47/32/54/381473254.db2.gz AWPSUAVKTADFDV-QWRGUYRKSA-N 0 3 251.292 2.852 20 30 CFEDHN C[C@H]1CCCN(CCNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000290511356 381457560 /nfs/dbraw/zinc/45/75/60/381457560.db2.gz LTIPGUUVWAKGQH-LBPRGKRZSA-N 0 3 288.351 2.610 20 30 CFEDHN CC[C@H](C)N[C@H](CNC(=O)C1(C#N)CCC1)c1ccco1 ZINC000359551499 381464393 /nfs/dbraw/zinc/46/43/93/381464393.db2.gz FKSKUMFIBGUAMD-QWHCGFSZSA-N 0 3 289.379 2.519 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000348194674 381470556 /nfs/dbraw/zinc/47/05/56/381470556.db2.gz XPJRONAASYIKFK-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)CC2CCCCC2)CC1 ZINC000348194658 381470605 /nfs/dbraw/zinc/47/06/05/381470605.db2.gz WYWVXOCBUCXMNI-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN Cc1cnc([C@H](C)NCCCSCC#N)s1 ZINC000184977558 381504711 /nfs/dbraw/zinc/50/47/11/381504711.db2.gz ZUVRIUMGHPCJDI-JTQLQIEISA-N 0 3 255.412 2.749 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000342743031 381513067 /nfs/dbraw/zinc/51/30/67/381513067.db2.gz XHIQJOPQYMZNIL-UHFFFAOYSA-N 0 3 298.789 2.945 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2=CCCCC2)CC1 ZINC000296706105 381513852 /nfs/dbraw/zinc/51/38/52/381513852.db2.gz SJBUGWUFUGMGAX-UHFFFAOYSA-N 0 3 291.439 2.827 20 30 CFEDHN CC[C@H](NCc1cccc(C#N)c1F)[C@@H]1CCCO1 ZINC000348333076 381514066 /nfs/dbraw/zinc/51/40/66/381514066.db2.gz BRVOGFJSJBSTTP-KBPBESRZSA-N 0 3 262.328 2.745 20 30 CFEDHN Cc1ccc([C@@H](CNc2cccnc2C#N)N(C)C)cc1 ZINC000290618014 381499140 /nfs/dbraw/zinc/49/91/40/381499140.db2.gz LDJJJYPVHMJXLT-QGZVFWFLSA-N 0 3 280.375 2.977 20 30 CFEDHN COc1ccc2c(c1)[C@@H](C)CN(CCCC#N)CC2 ZINC000370959119 381524396 /nfs/dbraw/zinc/52/43/96/381524396.db2.gz KGDKMTYUDQIEPW-ZDUSSCGKSA-N 0 3 258.365 2.961 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296751629 381528262 /nfs/dbraw/zinc/52/82/62/381528262.db2.gz PSNGBDWPOHPHRH-FZMZJTMJSA-N 0 3 264.325 2.573 20 30 CFEDHN C#CCC(C)(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000185094410 381533387 /nfs/dbraw/zinc/53/33/87/381533387.db2.gz IKHNZXBKXUMJBI-UHFFFAOYSA-N 0 3 298.430 2.601 20 30 CFEDHN C#C[C@@H](NCc1ccccc1N1CCO[C@@H](C)C1)C(C)C ZINC000298043909 381578010 /nfs/dbraw/zinc/57/80/10/381578010.db2.gz HQEGINRCCVZQAF-DOTOQJQBSA-N 0 3 286.419 2.659 20 30 CFEDHN C=CCC[C@@H](C)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414318744 381580071 /nfs/dbraw/zinc/58/00/71/381580071.db2.gz QLMCVOZIJHKQHN-DOMZBBRYSA-N 0 3 276.355 2.875 20 30 CFEDHN C=CCCCCCN1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348416519 381560904 /nfs/dbraw/zinc/56/09/04/381560904.db2.gz BGICOKXSGQYYAR-HNNXBMFYSA-N 0 3 276.428 2.835 20 30 CFEDHN Cn1cc(CNC/C=C\c2ccccc2)cc1C#N ZINC000359695142 381562201 /nfs/dbraw/zinc/56/22/01/381562201.db2.gz LPLQZMLZQTZQTE-YVMONPNESA-N 0 3 251.333 2.700 20 30 CFEDHN CC(C)(CC#N)CN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000414160068 381565521 /nfs/dbraw/zinc/56/55/21/381565521.db2.gz CFIUHTWWVZURGY-CYBMUJFWSA-N 0 3 275.400 2.956 20 30 CFEDHN N#Cc1cc(CN[C@H]2CCC[C@H]2OC(F)F)ccc1F ZINC000348522403 381605613 /nfs/dbraw/zinc/60/56/13/381605613.db2.gz XERZNEJJJURSDY-QWHCGFSZSA-N 0 3 284.281 2.947 20 30 CFEDHN Cc1nsc(NCC[C@H](C)N2CCCCC2)c1C#N ZINC000342848654 381585069 /nfs/dbraw/zinc/58/50/69/381585069.db2.gz IUTNSCLMEQDKEZ-NSHDSACASA-N 0 3 278.425 3.000 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000185292801 381588042 /nfs/dbraw/zinc/58/80/42/381588042.db2.gz KDOTUGMGFQCYST-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000185295557 381590041 /nfs/dbraw/zinc/59/00/41/381590041.db2.gz MWPDPYFWFAGGHQ-INIZCTEOSA-N 0 3 286.419 2.763 20 30 CFEDHN C=CCCC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000185321664 381595355 /nfs/dbraw/zinc/59/53/55/381595355.db2.gz BGWRNJLDVYHWSC-KRWDZBQOSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](c1ncc(C)s1)C1CC1 ZINC000185370823 381614763 /nfs/dbraw/zinc/61/47/63/381614763.db2.gz RPCGMXKVZAVSIQ-CHWSQXEVSA-N 0 3 266.410 2.819 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000348537382 381617236 /nfs/dbraw/zinc/61/72/36/381617236.db2.gz SUSYUUXVOKPLIZ-CHWSQXEVSA-N 0 3 284.281 2.947 20 30 CFEDHN C=CCOc1cccc(CN2CCN(CC)C[C@H]2C)c1 ZINC000348554727 381632960 /nfs/dbraw/zinc/63/29/60/381632960.db2.gz YTHCKKMMPVUHTB-OAHLLOKOSA-N 0 3 274.408 2.777 20 30 CFEDHN CC[C@@H](C(=O)N[C@H](C#N)C1CCCCC1)N(CC)CC ZINC000359863815 381647222 /nfs/dbraw/zinc/64/72/22/381647222.db2.gz ZMNPVYAKXOKOEI-CABCVRRESA-N 0 3 279.428 2.695 20 30 CFEDHN CC[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)N(CC)CC ZINC000359863816 381647742 /nfs/dbraw/zinc/64/77/42/381647742.db2.gz ZMNPVYAKXOKOEI-GJZGRUSLSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](CC)N(C)C ZINC000298499063 381651130 /nfs/dbraw/zinc/65/11/30/381651130.db2.gz ARYFADJPBJMDBM-MRXNPFEDSA-N 0 3 290.407 2.550 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000359982615 381710994 /nfs/dbraw/zinc/71/09/94/381710994.db2.gz XQJQSWFHTNAZMX-HUUCEWRRSA-N 0 3 299.418 2.652 20 30 CFEDHN C=CCOCCN[C@H]1CCCOc2cc(OC)ccc21 ZINC000371864685 381712140 /nfs/dbraw/zinc/71/21/40/381712140.db2.gz NKBRBZVGUIQUSX-HNNXBMFYSA-N 0 3 277.364 2.701 20 30 CFEDHN C=C(C)CN(CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000298585263 381679453 /nfs/dbraw/zinc/67/94/53/381679453.db2.gz GPPQIQPVHSGSJZ-UHFFFAOYSA-N 0 3 265.353 2.807 20 30 CFEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000185651904 381693611 /nfs/dbraw/zinc/69/36/11/381693611.db2.gz ZEGLJEIZHVFLCB-WFASDCNBSA-N 0 3 271.364 2.617 20 30 CFEDHN CNC(=O)CC[C@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000348831517 381727753 /nfs/dbraw/zinc/72/77/53/381727753.db2.gz GGIIFZXLJUNUML-CYBMUJFWSA-N 0 3 291.420 2.500 20 30 CFEDHN C=C(C)COCCN[C@H](c1cncc(F)c1)C1CC1 ZINC000343468036 381734046 /nfs/dbraw/zinc/73/40/46/381734046.db2.gz LAXIBCYQUMBJNQ-HNNXBMFYSA-N 0 3 264.344 2.854 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000185838330 381751027 /nfs/dbraw/zinc/75/10/27/381751027.db2.gz SHEXYVHTYHWLCX-AEFFLSMTSA-N 0 3 298.430 2.959 20 30 CFEDHN COc1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1C#N ZINC000291248754 381722681 /nfs/dbraw/zinc/72/26/81/381722681.db2.gz LVAKGWACSCFJQM-OAHLLOKOSA-N 0 3 274.364 2.566 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@H](C)C1 ZINC000360605549 381785231 /nfs/dbraw/zinc/78/52/31/381785231.db2.gz SPCNMNLXURSURR-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C1(CO)CCC1 ZINC000292097907 381789020 /nfs/dbraw/zinc/78/90/20/381789020.db2.gz HLDIDDAPKQUHAE-UHFFFAOYSA-N 0 3 263.768 2.538 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN1CCCC[C@H]1C(=N)NO ZINC000372317038 381789425 /nfs/dbraw/zinc/78/94/25/381789425.db2.gz UNOKWYVLLYLZBY-ZDUSSCGKSA-N 0 3 292.770 2.522 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000355663706 381791638 /nfs/dbraw/zinc/79/16/38/381791638.db2.gz RVINEFZGZZBIAP-CQSZACIVSA-N 0 3 276.424 2.866 20 30 CFEDHN CC#CCCNCc1cn(C)nc1C1CCCCC1 ZINC000360960535 381796218 /nfs/dbraw/zinc/79/62/18/381796218.db2.gz YYOXNPUDCKBFPI-UHFFFAOYSA-N 0 3 259.397 2.971 20 30 CFEDHN CCc1nn(C)c(CC)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185870093 381762743 /nfs/dbraw/zinc/76/27/43/381762743.db2.gz QADZWGVTKSCCLD-OLZOCXBDSA-N 0 3 274.412 2.717 20 30 CFEDHN CCC[C@@H]1CCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000185878960 381764807 /nfs/dbraw/zinc/76/48/07/381764807.db2.gz ADJAQIFSNVUWOU-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN Cc1ccnc(NC[C@@H](Cc2ccccc2)N(C)C)c1C#N ZINC000343518079 381767144 /nfs/dbraw/zinc/76/71/44/381767144.db2.gz XZGSTLUMHUJHKO-MRXNPFEDSA-N 0 3 294.402 2.847 20 30 CFEDHN C[C@@H](NCCc1cccc(C#N)c1)c1nccs1 ZINC000343517820 381767153 /nfs/dbraw/zinc/76/71/53/381767153.db2.gz RZJNTUZZJDZLSV-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN CC#CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000361346661 381822341 /nfs/dbraw/zinc/82/23/41/381822341.db2.gz PIQRFQAISUCBCG-WBVHZDCISA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCC[C@H](CC)C2)C1=O ZINC000343596840 381825954 /nfs/dbraw/zinc/82/59/54/381825954.db2.gz DKOZEUAERSQYHH-JYJNAYRXSA-N 0 3 278.440 2.922 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000361468523 381834126 /nfs/dbraw/zinc/83/41/26/381834126.db2.gz HCAGKWFTPMZTAF-KGLIPLIRSA-N 0 3 279.428 2.505 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CC1CCC1 ZINC000361480922 381834456 /nfs/dbraw/zinc/83/44/56/381834456.db2.gz HUEWADYBWDFAHE-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000361468522 381834877 /nfs/dbraw/zinc/83/48/77/381834877.db2.gz HCAGKWFTPMZTAF-KBPBESRZSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361559115 381845258 /nfs/dbraw/zinc/84/52/58/381845258.db2.gz MKPDMWZBIMSTRT-HNNXBMFYSA-N 0 3 273.376 2.567 20 30 CFEDHN CCN(CC1CCC1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000361481189 381836399 /nfs/dbraw/zinc/83/63/99/381836399.db2.gz KFVJCDRYUMSDRW-CZUORRHYSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2ccncc2OC)CC1 ZINC000361532583 381840003 /nfs/dbraw/zinc/84/00/03/381840003.db2.gz YFCBYGUYIWUIFI-HNNXBMFYSA-N 0 3 289.423 2.957 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355781762 381804757 /nfs/dbraw/zinc/80/47/57/381804757.db2.gz KZOHLRSDGRXMDV-KFWWJZLASA-N 0 3 264.413 2.553 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000186067581 381816759 /nfs/dbraw/zinc/81/67/59/381816759.db2.gz SJZXWRJOGLKELZ-WMZOPIPTSA-N 0 3 298.430 2.817 20 30 CFEDHN C[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@@H](C)[C@H]1C ZINC000416103352 381878201 /nfs/dbraw/zinc/87/82/01/381878201.db2.gz CDYMYWAQLZSHBN-FHIRATQRSA-N 0 3 295.386 2.743 20 30 CFEDHN C=CCN(CCC#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416234238 381883589 /nfs/dbraw/zinc/88/35/89/381883589.db2.gz MVUDSUDTGHLATH-INIZCTEOSA-N 0 3 285.391 2.608 20 30 CFEDHN CN(C)[C@@H](CC(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000416253514 381884009 /nfs/dbraw/zinc/88/40/09/381884009.db2.gz SDUQSQLHIRVPQW-HNNXBMFYSA-N 0 3 287.407 2.735 20 30 CFEDHN C=CC[C@@H](C(=O)NCC1(N(C)C)CC1)c1ccccc1 ZINC000416306548 381885059 /nfs/dbraw/zinc/88/50/59/381885059.db2.gz GOTYPQWISKKQON-OAHLLOKOSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)=C(C)C1 ZINC000361600415 381848574 /nfs/dbraw/zinc/84/85/74/381848574.db2.gz CKZXQKABVMQUKC-HNNXBMFYSA-N 0 3 262.397 2.618 20 30 CFEDHN C=CCN(CCOC)Cc1cccc(-n2cccn2)c1 ZINC000361639601 381850950 /nfs/dbraw/zinc/85/09/50/381850950.db2.gz PMLOUKKJPOBMKX-UHFFFAOYSA-N 0 3 271.364 2.507 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H](CC)c2ccccc2)C1=O ZINC000343628736 381853705 /nfs/dbraw/zinc/85/37/05/381853705.db2.gz WWPFXERPYKKPIR-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN CC(C)n1nccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000361654460 381855984 /nfs/dbraw/zinc/85/59/84/381855984.db2.gz KUPLEZQESGSCTA-NSHDSACASA-N 0 3 293.330 2.830 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@]2(CO)Cc2ccccc2)o1 ZINC000372757699 381862658 /nfs/dbraw/zinc/86/26/58/381862658.db2.gz MXKPCQZKEHVKRS-SFHVURJKSA-N 0 3 296.370 2.721 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)C2CCCCC2)s1 ZINC000292855173 381867417 /nfs/dbraw/zinc/86/74/17/381867417.db2.gz AHLGQMHKEFYHDH-CYBMUJFWSA-N 0 3 278.421 2.898 20 30 CFEDHN C#CCCOc1ccc(CNC(C)(C)COCC)cc1 ZINC000292862414 381870620 /nfs/dbraw/zinc/87/06/20/381870620.db2.gz CONVLYGRZHKTBO-UHFFFAOYSA-N 0 3 275.392 2.993 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415980080 381872872 /nfs/dbraw/zinc/87/28/72/381872872.db2.gz YNCIVBHYWNNZBE-UHFFFAOYSA-N 0 3 289.379 2.599 20 30 CFEDHN C#CCCCC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000372992942 381906744 /nfs/dbraw/zinc/90/67/44/381906744.db2.gz MRPCGJNFHQVCAC-IBGZPJMESA-N 0 3 298.430 2.961 20 30 CFEDHN C=CCNC(=O)CN(CCC)[C@H]1CCc2ccccc21 ZINC000299350961 381907069 /nfs/dbraw/zinc/90/70/69/381907069.db2.gz BRKTVOPNSSOGML-INIZCTEOSA-N 0 3 272.392 2.688 20 30 CFEDHN CN1Cc2ccccc2[C@H](N[C@H]2CCC[C@@H](C#N)C2)C1 ZINC000373055415 381918611 /nfs/dbraw/zinc/91/86/11/381918611.db2.gz JRPNPDAIENMVNM-UKPHBRMFSA-N 0 3 269.392 2.845 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000373249511 381959549 /nfs/dbraw/zinc/95/95/49/381959549.db2.gz IVDACVSJNVAWHN-QGZVFWFLSA-N 0 3 265.360 2.702 20 30 CFEDHN COc1ccc(CN2CCCC3(CC3)C2)cc1C#N ZINC000186619626 381967750 /nfs/dbraw/zinc/96/77/50/381967750.db2.gz SQPZFMTYUKPLDB-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@@H](C)c2ccccc2)CC1 ZINC000299529173 381971606 /nfs/dbraw/zinc/97/16/06/381971606.db2.gz BKZBXDSOMGCNKP-MRXNPFEDSA-N 0 3 298.430 2.642 20 30 CFEDHN C=CCC(F)(F)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000292989879 381939278 /nfs/dbraw/zinc/93/92/78/381939278.db2.gz GLWWKXFOSASXPK-UHFFFAOYSA-N 0 3 268.307 2.898 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)Nc1cnc(C#N)cn1)N(C)C ZINC000343801835 381949929 /nfs/dbraw/zinc/94/99/29/381949929.db2.gz DOZNNFVYEZXABP-DYVFJYSZSA-N 0 3 295.390 2.760 20 30 CFEDHN N#Cc1ccc(CNCCc2ccccc2O)c(F)c1 ZINC000343885911 382003072 /nfs/dbraw/zinc/00/30/72/382003072.db2.gz INIVTCWSASXBGE-UHFFFAOYSA-N 0 3 270.307 2.735 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000350050676 382003509 /nfs/dbraw/zinc/00/35/09/382003509.db2.gz DSUQRQFVOJYEAL-BBRMVZONSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)C/C=C/C)cc1 ZINC000349792908 381990854 /nfs/dbraw/zinc/99/08/54/381990854.db2.gz SVRYYIMYYHBKBN-SJDLMVEWSA-N 0 3 261.365 2.668 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)C/C=C\C)cc1OC ZINC000349828770 381992287 /nfs/dbraw/zinc/99/22/87/381992287.db2.gz NASLFIJXBUWBBN-ZDTYVGOBSA-N 0 3 291.391 2.677 20 30 CFEDHN COc1cc2c(cc1CN[C@@H]1CC[C@@H](C#N)C1)O[C@@H](C)C2 ZINC000349826846 381993592 /nfs/dbraw/zinc/99/35/92/381993592.db2.gz FCBXULFODGLVNZ-YWPYICTPSA-N 0 3 286.375 2.800 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(OCC(C)C)c1 ZINC000351579627 382045603 /nfs/dbraw/zinc/04/56/03/382045603.db2.gz JVIWJBIWMULJTH-OAHLLOKOSA-N 0 3 263.381 2.748 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H](Oc2ccccc2)C1 ZINC000351593206 382046391 /nfs/dbraw/zinc/04/63/91/382046391.db2.gz BSNGTRMOGUHZOC-DOTOQJQBSA-N 0 3 275.392 2.857 20 30 CFEDHN C=CCC[C@H](O)CN(C)CCOc1ccc(Cl)cc1 ZINC000351631209 382050192 /nfs/dbraw/zinc/05/01/92/382050192.db2.gz FSILBGXASJKNJP-AWEZNQCLSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000351683496 382055466 /nfs/dbraw/zinc/05/54/66/382055466.db2.gz DPJOJBRVRMBKIH-INIZCTEOSA-N 0 3 289.423 2.945 20 30 CFEDHN C#CCN[C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374829751 382057372 /nfs/dbraw/zinc/05/73/72/382057372.db2.gz PDOSSLLODVWEBY-CVEARBPZSA-N 0 3 278.346 2.711 20 30 CFEDHN C=C(C)CCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000351732084 382059644 /nfs/dbraw/zinc/05/96/44/382059644.db2.gz ZZAJDDWOMGRFGF-QWRGUYRKSA-N 0 3 251.292 2.730 20 30 CFEDHN COCC[C@H]1CCCCN(C[C@@H](C#N)CCC#N)C1 ZINC000375810349 382104439 /nfs/dbraw/zinc/10/44/39/382104439.db2.gz LBMJFKDZAJRXQL-HUUCEWRRSA-N 0 3 263.385 2.569 20 30 CFEDHN C=CCC[C@H](O)CN1CCCN(c2ccccc2F)CC1 ZINC000375851204 382107853 /nfs/dbraw/zinc/10/78/53/382107853.db2.gz KXXQSKKSEATBTO-HNNXBMFYSA-N 0 3 292.398 2.665 20 30 CFEDHN C=CCC(CC=C)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000375873055 382109678 /nfs/dbraw/zinc/10/96/78/382109678.db2.gz MLCAZKXOWBRCNG-GOEBONIOSA-N 0 3 276.424 2.840 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301227535 382110860 /nfs/dbraw/zinc/11/08/60/382110860.db2.gz CMWVSGMWANDUNN-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN Cc1ncccc1O[C@@H]1CCN(CCCCC#N)C1 ZINC000375973313 382113334 /nfs/dbraw/zinc/11/33/34/382113334.db2.gz GVADIQOEAZQFBD-CQSZACIVSA-N 0 3 259.353 2.537 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CC)CC1 ZINC000362518930 382118920 /nfs/dbraw/zinc/11/89/20/382118920.db2.gz NHIMVXGBXNNQIH-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN CC(C)N(CCOCCC#N)Cc1cccs1 ZINC000293350153 382090767 /nfs/dbraw/zinc/09/07/67/382090767.db2.gz DOVQTXROGNWWJA-UHFFFAOYSA-N 0 3 252.383 2.889 20 30 CFEDHN N#CCCCN1CCC(c2ccccc2CO)CC1 ZINC000375587222 382093269 /nfs/dbraw/zinc/09/32/69/382093269.db2.gz ZZIPITOXOSGALP-UHFFFAOYSA-N 0 3 258.365 2.662 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cccnc1C#N ZINC000357458100 382179725 /nfs/dbraw/zinc/17/97/25/382179725.db2.gz XMQODLUALBKOOF-RDTXWAMCSA-N 0 3 292.386 2.886 20 30 CFEDHN CCSCCN(C)CCOCc1ccc(C#N)cc1 ZINC000344101205 382130554 /nfs/dbraw/zinc/13/05/54/382130554.db2.gz CSXGBSNMWVRBGS-UHFFFAOYSA-N 0 3 278.421 2.760 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(c2ncc(C)s2)CC1 ZINC000376427819 382135752 /nfs/dbraw/zinc/13/57/52/382135752.db2.gz PJAWHGKKILFPCF-CQSZACIVSA-N 0 3 280.437 2.958 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(c2ncc(C)s2)CC1 ZINC000376427815 382135775 /nfs/dbraw/zinc/13/57/75/382135775.db2.gz PJAWHGKKILFPCF-AWEZNQCLSA-N 0 3 280.437 2.958 20 30 CFEDHN Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)cc1C#N ZINC000376560545 382146379 /nfs/dbraw/zinc/14/63/79/382146379.db2.gz CYYFNBAMQVYNJF-PBHICJAKSA-N 0 3 297.402 2.566 20 30 CFEDHN C=CCOCCN(C)Cc1ccccc1N1CCCC1 ZINC000293519559 382154980 /nfs/dbraw/zinc/15/49/80/382154980.db2.gz OUYYYUYZKIUTSR-UHFFFAOYSA-N 0 3 274.408 2.921 20 30 CFEDHN N#Cc1cc(N2CCN(CC3CC3)CC2)c2ccccc2n1 ZINC000301374104 382161755 /nfs/dbraw/zinc/16/17/55/382161755.db2.gz QOXKPMUMMWBKDC-UHFFFAOYSA-N 0 3 292.386 2.638 20 30 CFEDHN Cc1cc(C)c(C#N)c(SC[C@H]2CCN(C)C2)n1 ZINC000187656010 382237488 /nfs/dbraw/zinc/23/74/88/382237488.db2.gz DDXCKEMOUULICV-LBPRGKRZSA-N 0 3 261.394 2.614 20 30 CFEDHN COC1(CCN(C)Cc2cccc(C#N)c2)CCC1 ZINC000293665365 382222416 /nfs/dbraw/zinc/22/24/16/382222416.db2.gz YZMVBOGMZGDGLO-UHFFFAOYSA-N 0 3 258.365 2.949 20 30 CFEDHN C[C@@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000293788195 382280073 /nfs/dbraw/zinc/28/00/73/382280073.db2.gz MITYQCFNZCWOAM-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345113676 382285537 /nfs/dbraw/zinc/28/55/37/382285537.db2.gz PWKCSZWIAVYHEN-ZFWWWQNUSA-N 0 3 285.391 2.678 20 30 CFEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000345115823 382285668 /nfs/dbraw/zinc/28/56/68/382285668.db2.gz UOVMFQZSQBEIHU-KFWWJZLASA-N 0 3 299.418 2.719 20 30 CFEDHN C=C[C@@H]1CCCCN1CCc1c(C)nc2ccccn2c1=O ZINC000352357641 382288596 /nfs/dbraw/zinc/28/85/96/382288596.db2.gz OKQRJBBYEJGWJS-OAHLLOKOSA-N 0 3 297.402 2.586 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1cccs1)C(C)C ZINC000302327684 382240407 /nfs/dbraw/zinc/24/04/07/382240407.db2.gz KLGKFPSNISOOOH-GFCCVEGCSA-N 0 3 259.378 2.886 20 30 CFEDHN C[C@@H](O)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187671725 382241128 /nfs/dbraw/zinc/24/11/28/382241128.db2.gz RUSDVUHNRWLOLY-QWHCGFSZSA-N 0 3 258.365 2.712 20 30 CFEDHN C=CC[C@@H](C)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363707469 382242901 /nfs/dbraw/zinc/24/29/01/382242901.db2.gz QQCQYEFGGXGFNI-MFKMUULPSA-N 0 3 283.368 2.598 20 30 CFEDHN C=CCOCCN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000293710144 382244206 /nfs/dbraw/zinc/24/42/06/382244206.db2.gz DOTCOKXKIUZYFC-KRWDZBQOSA-N 0 3 291.391 2.947 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000293725097 382251306 /nfs/dbraw/zinc/25/13/06/382251306.db2.gz FYTLHUPCXXVWAS-CYBMUJFWSA-N 0 3 288.391 2.888 20 30 CFEDHN C=CCCN1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000364082508 382260265 /nfs/dbraw/zinc/26/02/65/382260265.db2.gz QXPUACAHOJNQRH-CQSZACIVSA-N 0 3 262.353 2.629 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000357712486 382291351 /nfs/dbraw/zinc/29/13/51/382291351.db2.gz BTVJWTJICIQKFD-CABCVRRESA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@@H]1[C@H](C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000419373635 382302241 /nfs/dbraw/zinc/30/22/41/382302241.db2.gz ONPHCDZAPTVWQM-VWPFQQQWSA-N 0 3 297.402 2.640 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cccc2ccsc21 ZINC000293846265 382302405 /nfs/dbraw/zinc/30/24/05/382302405.db2.gz AEMKUSNYOYBNFR-UHFFFAOYSA-N 0 3 286.400 2.586 20 30 CFEDHN CC(C)[C@@]1(CO)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000377632879 382307467 /nfs/dbraw/zinc/30/74/67/382307467.db2.gz WACRJKRPIIWWFI-INIZCTEOSA-N 0 3 276.355 2.538 20 30 CFEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N(CCC#N)c1ccccc1 ZINC000419390720 382314373 /nfs/dbraw/zinc/31/43/73/382314373.db2.gz IVMHYOOUWIZEQJ-OWCLPIDISA-N 0 3 299.418 2.910 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)o1 ZINC000187992981 382317843 /nfs/dbraw/zinc/31/78/43/382317843.db2.gz BNBZSLQDHHWBRM-OAHLLOKOSA-N 0 3 284.359 2.841 20 30 CFEDHN CCN(CCc1ccccc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345848159 382318761 /nfs/dbraw/zinc/31/87/61/382318761.db2.gz IWMLDSAEOCLPOB-OAHLLOKOSA-N 0 3 299.418 2.502 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000188033723 382328814 /nfs/dbraw/zinc/32/88/14/382328814.db2.gz YAZCEZLMXNOFTB-RDTXWAMCSA-N 0 3 297.402 2.794 20 30 CFEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)o1 ZINC000188037559 382330890 /nfs/dbraw/zinc/33/08/90/382330890.db2.gz AKKUJVBXZSWYRM-OAHLLOKOSA-N 0 3 262.353 2.524 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000346105344 382331020 /nfs/dbraw/zinc/33/10/20/382331020.db2.gz GHFORQNVZUSIEH-SECBINFHSA-N 0 3 280.730 2.787 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000346105347 382331221 /nfs/dbraw/zinc/33/12/21/382331221.db2.gz GHFORQNVZUSIEH-VIFPVBQESA-N 0 3 280.730 2.787 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346136155 382332117 /nfs/dbraw/zinc/33/21/17/382332117.db2.gz DSDMBSGTRQLYPW-KLZNWCGWSA-N 0 3 278.440 2.777 20 30 CFEDHN CC(C)(C#N)CCN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000352437883 382332761 /nfs/dbraw/zinc/33/27/61/382332761.db2.gz DUDSQBYBEHJDLO-KGLIPLIRSA-N 0 3 262.397 2.960 20 30 CFEDHN C=CCCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000346264720 382339723 /nfs/dbraw/zinc/33/97/23/382339723.db2.gz OFALSFDFQCXYRH-OWCLPIDISA-N 0 3 290.451 2.922 20 30 CFEDHN Cc1ccc([C@@H](NC(=O)C(C)C#N)c2ccccn2)cc1 ZINC000352453687 382341382 /nfs/dbraw/zinc/34/13/82/382341382.db2.gz HCWHIZGIGMXACZ-CZUORRHYSA-N 0 3 279.343 2.755 20 30 CFEDHN CC1(C)CN(c2nc3c(cc2C#N)CCCC3(C)C)CCN1 ZINC000420288168 382342447 /nfs/dbraw/zinc/34/24/47/382342447.db2.gz XZTWGZXWUOJRHX-UHFFFAOYSA-N 0 3 298.434 2.755 20 30 CFEDHN C=C(C)CCN1CCC(OC)(C(F)(F)F)CC1 ZINC000419346850 382295263 /nfs/dbraw/zinc/29/52/63/382295263.db2.gz IXAOBFMICKMJPJ-UHFFFAOYSA-N 0 3 251.292 2.996 20 30 CFEDHN OCCN(CC#Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000352469802 382350555 /nfs/dbraw/zinc/35/05/55/382350555.db2.gz ZHIMUWMRDIJCJO-UHFFFAOYSA-N 0 3 297.320 2.761 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)o1 ZINC000377831673 382354259 /nfs/dbraw/zinc/35/42/59/382354259.db2.gz ALWQWDKKLFHSOC-KBPBESRZSA-N 0 3 274.364 2.790 20 30 CFEDHN C=CCOCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000294036333 382388144 /nfs/dbraw/zinc/38/81/44/382388144.db2.gz IKZKLXSUGAMMGM-UHFFFAOYSA-N 0 3 289.423 2.601 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(C#N)o2)C1 ZINC000304358276 382398357 /nfs/dbraw/zinc/39/83/57/382398357.db2.gz XDALSBYNAIKKPX-WBMJQRKESA-N 0 3 276.380 2.818 20 30 CFEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)c1ccncn1 ZINC000358045562 382426449 /nfs/dbraw/zinc/42/64/49/382426449.db2.gz HOWYAGBTEFUHCY-SECBINFHSA-N 0 3 290.685 2.515 20 30 CFEDHN CC(C)(O)[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000305687982 382441605 /nfs/dbraw/zinc/44/16/05/382441605.db2.gz AUELOPYURMZFRH-OAHLLOKOSA-N 0 3 277.795 2.927 20 30 CFEDHN CC(C)CC[C@](C)(O)CNCc1cc(C#N)cs1 ZINC000304641283 382413533 /nfs/dbraw/zinc/41/35/33/382413533.db2.gz NRDPBLBEUWFURW-AWEZNQCLSA-N 0 3 266.410 2.897 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000365850215 382454408 /nfs/dbraw/zinc/45/44/08/382454408.db2.gz WDPLGYYQMLPHAS-GOEBONIOSA-N 0 3 296.374 2.621 20 30 CFEDHN C=CCN1CCC(NCc2ccc(Cl)o2)CC1 ZINC000358146542 382469576 /nfs/dbraw/zinc/46/95/76/382469576.db2.gz DFJUOJWWCUOTKN-UHFFFAOYSA-N 0 3 254.761 2.673 20 30 CFEDHN C=CC[C@@H](CO)CNCc1csc(Br)c1 ZINC000308863793 382487755 /nfs/dbraw/zinc/48/77/55/382487755.db2.gz CUICDZPPEXVBLJ-SECBINFHSA-N 0 3 290.226 2.785 20 30 CFEDHN C=C(C)CN1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547094 382526838 /nfs/dbraw/zinc/52/68/38/382526838.db2.gz XJSJXTZOCKFOSW-KBPBESRZSA-N 0 3 280.412 2.894 20 30 CFEDHN C=CCN(Cc1cccc(CN2CCOCC2)c1)C1CC1 ZINC000420933351 382499527 /nfs/dbraw/zinc/49/95/27/382499527.db2.gz IDMQPTUMTCONBB-UHFFFAOYSA-N 0 3 286.419 2.669 20 30 CFEDHN C[C@@H]1C[C@H](CO)CN(CC#Cc2ccc(Cl)cc2)C1 ZINC000420948954 382500373 /nfs/dbraw/zinc/50/03/73/382500373.db2.gz UYHWSWYAWXRDPR-HIFRSBDPSA-N 0 3 277.795 2.642 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420958996 382500855 /nfs/dbraw/zinc/50/08/55/382500855.db2.gz CSWKKMVBNDBUOH-RDJZCZTQSA-N 0 3 291.439 2.553 20 30 CFEDHN N#Cc1ccc(CN(CCOCC(F)F)C2CC2)cc1 ZINC000188916970 382504515 /nfs/dbraw/zinc/50/45/15/382504515.db2.gz UJNCIHDCVOVHJP-UHFFFAOYSA-N 0 3 280.318 2.804 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](CO)C[C@H](C)C2)cc1 ZINC000421362041 382513165 /nfs/dbraw/zinc/51/31/65/382513165.db2.gz MFCFFIHCTDFGQJ-GOEBONIOSA-N 0 3 275.392 2.702 20 30 CFEDHN C[C@H](N[C@H]1CCCN(C)[C@@H]1C)c1ccc(C#N)cc1F ZINC000346796621 382515736 /nfs/dbraw/zinc/51/57/36/382515736.db2.gz NFOZYVYAWQZQMJ-OZVIIMIRSA-N 0 3 275.371 2.831 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(C)(CO)CC1 ZINC000358274311 382540598 /nfs/dbraw/zinc/54/05/98/382540598.db2.gz FDJCBRCQEXZEKT-UHFFFAOYSA-N 0 3 275.392 2.846 20 30 CFEDHN C=C[C@@H](C)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000358298893 382555671 /nfs/dbraw/zinc/55/56/71/382555671.db2.gz MJGWDOCSCYVHPF-UKRRQHHQSA-N 0 3 290.407 2.769 20 30 CFEDHN C[C@H]1CN(c2cccc(F)c2C#N)CCN(C2CC2)C1 ZINC000295051025 382567893 /nfs/dbraw/zinc/56/78/93/382567893.db2.gz XZWNRZURZXTOKV-GFCCVEGCSA-N 0 3 273.355 2.618 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2cc(C#N)ccn2)C1 ZINC000367465658 382572549 /nfs/dbraw/zinc/57/25/49/382572549.db2.gz MLQZDUKOMOEIDP-QGZVFWFLSA-N 0 3 292.386 2.664 20 30 CFEDHN COc1ccc([C@@H](C)NCCCC#N)cc1NC(C)=O ZINC000346822656 382530812 /nfs/dbraw/zinc/53/08/12/382530812.db2.gz HESXRIDJAIUWOW-LLVKDONJSA-N 0 3 275.352 2.608 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000320199648 382535808 /nfs/dbraw/zinc/53/58/08/382535808.db2.gz CMNNTIAMKGEHIZ-AWEZNQCLSA-N 0 3 281.783 2.692 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(C)n1-c1ccccc1 ZINC000320184211 382536009 /nfs/dbraw/zinc/53/60/09/382536009.db2.gz AAWWFOFBNXCBLN-OAHLLOKOSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccccc1OC(C)C ZINC000320392200 382537351 /nfs/dbraw/zinc/53/73/51/382537351.db2.gz NBMNATHFZHBMDP-HNNXBMFYSA-N 0 3 263.381 2.891 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000320311136 382537520 /nfs/dbraw/zinc/53/75/20/382537520.db2.gz VFUOQMMRMKHUTG-AAEUAGOBSA-N 0 3 267.344 2.812 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000346955796 382585021 /nfs/dbraw/zinc/58/50/21/382585021.db2.gz YSHHYYBOEDMNJD-CQSZACIVSA-N 0 3 253.773 2.751 20 30 CFEDHN COC[C@H](CC(C)C)NCc1ccc(C#N)c(OC)c1 ZINC000353631144 382585622 /nfs/dbraw/zinc/58/56/22/382585622.db2.gz PDLZMQBYGYWPKK-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN CCCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000346970869 382592645 /nfs/dbraw/zinc/59/26/45/382592645.db2.gz ATTUJAUMSWMFMF-BBBYJDLNSA-N 0 3 279.428 2.648 20 30 CFEDHN C[C@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000358384686 382596188 /nfs/dbraw/zinc/59/61/88/382596188.db2.gz MUWAJFGNQHROCW-AWEZNQCLSA-N 0 3 277.412 2.594 20 30 CFEDHN COc1cc(CN2CCC(CC#N)CC2)ccc1C#N ZINC000397274580 382633269 /nfs/dbraw/zinc/63/32/69/382633269.db2.gz KRRKDEUQIOEMQT-UHFFFAOYSA-N 0 3 269.348 2.693 20 30 CFEDHN COc1cc(CN[C@@H]2CS[C@H](C)C2)ccc1C#N ZINC000397951382 382634973 /nfs/dbraw/zinc/63/49/73/382634973.db2.gz ZUAYJKBYMLAVFY-MFKMUULPSA-N 0 3 262.378 2.550 20 30 CFEDHN CCOc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000189587728 382627786 /nfs/dbraw/zinc/62/77/86/382627786.db2.gz IGYADJYBUIPXPT-UHFFFAOYSA-N 0 3 269.348 2.585 20 30 CFEDHN CCc1ccc([C@H](CO)NCCC(C)(C)C#N)cc1 ZINC000346945037 382580319 /nfs/dbraw/zinc/58/03/19/382580319.db2.gz MOHWEANSTMKCLM-HNNXBMFYSA-N 0 3 260.381 2.812 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C2OCCO2)CC1 ZINC000189862198 382643131 /nfs/dbraw/zinc/64/31/31/382643131.db2.gz SBLRCTFIYNFGDA-ZDUSSCGKSA-N 0 3 286.375 2.704 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1csc(COC)n1 ZINC000289605141 197418215 /nfs/dbraw/zinc/41/82/15/197418215.db2.gz CVFQQBNIPFKGSI-GHMZBOCLSA-N 0 3 254.399 2.980 20 30 CFEDHN Cn1cc(CN[C@H]2CCc3cc(F)ccc32)cc1C#N ZINC000190896726 382684239 /nfs/dbraw/zinc/68/42/39/382684239.db2.gz PONFLLOEPMIZGY-INIZCTEOSA-N 0 3 269.323 2.813 20 30 CFEDHN Cn1cc(CNCCCOc2ccc(F)cc2)cc1C#N ZINC000190906507 382684549 /nfs/dbraw/zinc/68/45/49/382684549.db2.gz STBMRNNXRQXOSB-UHFFFAOYSA-N 0 3 287.338 2.595 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Oc1ccc(F)cc1 ZINC000191223129 382696337 /nfs/dbraw/zinc/69/63/37/382696337.db2.gz GTGIBQBJVYHNTN-LBPRGKRZSA-N 0 3 287.338 2.593 20 30 CFEDHN Cn1cc(CN2CCCc3ccccc3C2)cc1C#N ZINC000191322388 382698520 /nfs/dbraw/zinc/69/85/20/382698520.db2.gz KJESWTFEPVMZKH-UHFFFAOYSA-N 0 3 265.360 2.845 20 30 CFEDHN C=CCN(CCOC)Cc1cc2ccccc2[nH]c1=O ZINC000191757871 382702471 /nfs/dbraw/zinc/70/24/71/382702471.db2.gz LUIPJPXJNSWMOP-UHFFFAOYSA-N 0 3 272.348 2.575 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1ccnn1C)C(C)C ZINC000192657025 382711001 /nfs/dbraw/zinc/71/10/01/382711001.db2.gz HPEUVPXHZVKVLA-WBVHZDCISA-N 0 3 290.455 2.769 20 30 CFEDHN CC(C)[C@H](C)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000575046883 382724802 /nfs/dbraw/zinc/72/48/02/382724802.db2.gz QVZWEIDXVGZTRP-LBPRGKRZSA-N 0 3 283.379 2.610 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2cccs2)C1=O ZINC000337124876 382763785 /nfs/dbraw/zinc/76/37/85/382763785.db2.gz DHBXNOMOOOUJBY-OLZOCXBDSA-N 0 3 276.405 2.672 20 30 CFEDHN C=CCN1CC[C@H](N(Cc2ccccc2)C(C)C)C1=O ZINC000337143030 382767384 /nfs/dbraw/zinc/76/73/84/382767384.db2.gz XYJMCGHLZZLGBP-INIZCTEOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337164533 382770120 /nfs/dbraw/zinc/77/01/20/382770120.db2.gz XTOGKYHLBBSVRP-HOTGVXAUSA-N 0 3 290.382 2.899 20 30 CFEDHN Cn1cc(CN[C@@H]2CCCC[C@@H]2OC(F)F)cc1C#N ZINC000337276991 382792126 /nfs/dbraw/zinc/79/21/26/382792126.db2.gz FHWQPKXMZLBSBZ-OLZOCXBDSA-N 0 3 283.322 2.537 20 30 CFEDHN Cc1sc(CCNC(=O)C(C)C#N)nc1-c1ccccc1 ZINC000336938496 382744261 /nfs/dbraw/zinc/74/42/61/382744261.db2.gz WDESMBBRLZYFTC-NSHDSACASA-N 0 3 299.399 2.937 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2OC(F)F)o1 ZINC000337277130 382792366 /nfs/dbraw/zinc/79/23/66/382792366.db2.gz GRDRMZNBTLVKDS-NWDGAFQWSA-N 0 3 270.279 2.791 20 30 CFEDHN C=C(C)CN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337444900 382822163 /nfs/dbraw/zinc/82/21/63/382822163.db2.gz LBAHCINBNAAULT-MRXNPFEDSA-N 0 3 268.360 2.755 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC(C)C)C(C)C ZINC000337449889 382823046 /nfs/dbraw/zinc/82/30/46/382823046.db2.gz SJGCRLQCRIGSLT-OAHLLOKOSA-N 0 3 281.444 2.640 20 30 CFEDHN N#Cc1cnn2cc(CN3CC[C@H](C4CCCC4)C3)cnc12 ZINC000576584988 382828416 /nfs/dbraw/zinc/82/84/16/382828416.db2.gz XLJPUSFVRXNGPP-HNNXBMFYSA-N 0 3 295.390 2.613 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)CCCC)CC1 ZINC000337498754 382832972 /nfs/dbraw/zinc/83/29/72/382832972.db2.gz UBOQSFJPOCVLRJ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000493982700 382908388 /nfs/dbraw/zinc/90/83/88/382908388.db2.gz SWFMSQAZBIBRBG-CYBMUJFWSA-N 0 3 266.385 2.646 20 30 CFEDHN COCCN(Cc1ccc(C#N)c(OC)c1)CC(C)C ZINC000234629491 382874579 /nfs/dbraw/zinc/87/45/79/382874579.db2.gz PDTMVVDPIUASDK-UHFFFAOYSA-N 0 3 276.380 2.671 20 30 CFEDHN C[C@@H](C(=O)N1CCc2c1cccc2C#N)N1CCCCCC1 ZINC000421652570 382887528 /nfs/dbraw/zinc/88/75/28/382887528.db2.gz SNBPBOKMHDWNFA-AWEZNQCLSA-N 0 3 297.402 2.712 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000235765168 382887657 /nfs/dbraw/zinc/88/76/57/382887657.db2.gz LIJXSTNDDWDBKP-CVEARBPZSA-N 0 3 256.349 2.524 20 30 CFEDHN CC[C@@H](C)[C@@H]1CN(CCCC#N)CCN1CCCC#N ZINC000337981574 382887628 /nfs/dbraw/zinc/88/76/28/382887628.db2.gz SRCAUDKIFOUFOH-CVEARBPZSA-N 0 3 276.428 2.626 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000235765323 382887703 /nfs/dbraw/zinc/88/77/03/382887703.db2.gz LIJXSTNDDWDBKP-JKSUJKDBSA-N 0 3 256.349 2.524 20 30 CFEDHN C[C@@H](N(C)CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC000533250228 382889604 /nfs/dbraw/zinc/88/96/04/382889604.db2.gz JDPVDFAKBGZJQC-CYBMUJFWSA-N 0 3 287.407 2.541 20 30 CFEDHN C=C(C)CNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441030617 382892873 /nfs/dbraw/zinc/89/28/73/382892873.db2.gz FZTDEPNXJRNYTF-UHFFFAOYSA-N 0 3 293.455 2.908 20 30 CFEDHN CC[C@H](C(=O)NCC1CCC(C#N)CC1)N(CC)CC ZINC000441143682 382897109 /nfs/dbraw/zinc/89/71/09/382897109.db2.gz IEAXPCADFYKTMB-YMAMQOFZSA-N 0 3 279.428 2.553 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000494876638 382937786 /nfs/dbraw/zinc/93/77/86/382937786.db2.gz XQVJKGCMBSAWBA-XHSDSOJGSA-N 0 3 293.455 2.999 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000338163249 382938317 /nfs/dbraw/zinc/93/83/17/382938317.db2.gz VVLRKABJGVBPET-HNNXBMFYSA-N 0 3 287.407 2.573 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000338160050 382938487 /nfs/dbraw/zinc/93/84/87/382938487.db2.gz FPVHITCNKJKIHL-ZIAGYGMSSA-N 0 3 299.418 2.717 20 30 CFEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)c(N2CCOCC2)c1 ZINC000442761822 382953174 /nfs/dbraw/zinc/95/31/74/382953174.db2.gz CXCXIESBBQBDNQ-RDJZCZTQSA-N 0 3 299.418 2.614 20 30 CFEDHN Cc1nc(NC(=O)C(C#N)c2nc(C)c(C)s2)oc1C ZINC000535775677 382955290 /nfs/dbraw/zinc/95/52/90/382955290.db2.gz VPEQQSCJBMCPBG-JTQLQIEISA-N 0 3 290.348 2.611 20 30 CFEDHN CN(C)CCOc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442854738 382961441 /nfs/dbraw/zinc/96/14/41/382961441.db2.gz LHLKIQCQKGZUOF-UKRRQHHQSA-N 0 3 273.380 2.731 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000494593002 382914660 /nfs/dbraw/zinc/91/46/60/382914660.db2.gz VJRFVLUMFVZIFY-DOMZBBRYSA-N 0 3 283.799 2.802 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000494712061 382922571 /nfs/dbraw/zinc/92/25/71/382922571.db2.gz USNOGCLIIHPRIM-ARFHVFGLSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000338120624 382926234 /nfs/dbraw/zinc/92/62/34/382926234.db2.gz TVZPSCKQSGIFMO-HNNXBMFYSA-N 0 3 297.402 2.613 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000338126792 382928106 /nfs/dbraw/zinc/92/81/06/382928106.db2.gz MRGYUPJQOLUXSJ-AWEZNQCLSA-N 0 3 299.418 2.861 20 30 CFEDHN CC(C#N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000578540745 382931434 /nfs/dbraw/zinc/93/14/34/382931434.db2.gz JFVJZRIXCLXNPV-NWDGAFQWSA-N 0 3 291.782 2.537 20 30 CFEDHN N#CC(C(=O)c1ccnc(C2CC2)c1)c1ccccn1 ZINC000543988961 382974281 /nfs/dbraw/zinc/97/42/81/382974281.db2.gz NUZXWNURJZWGJD-ZDUSSCGKSA-N 0 3 263.300 2.844 20 30 CFEDHN CCC(=O)N[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444613185 382974506 /nfs/dbraw/zinc/97/45/06/382974506.db2.gz UCPYZMBYKSJRQJ-CQSZACIVSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CC[C@@H]1N(C(=O)CN(C)C(C)C)CCCC1(C)C ZINC000444637224 382976280 /nfs/dbraw/zinc/97/62/80/382976280.db2.gz PEMFOXNNTPGZKO-AWEZNQCLSA-N 0 3 266.429 2.920 20 30 CFEDHN CN(C)c1ncc(CN(C)CCCCC(C)(C)C#N)cn1 ZINC000444667304 382976882 /nfs/dbraw/zinc/97/68/82/382976882.db2.gz CAGPDEXPWXZFMU-UHFFFAOYSA-N 0 3 289.427 2.694 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N2CCCC2)CCCC1(C)C ZINC000444780733 382980486 /nfs/dbraw/zinc/98/04/86/382980486.db2.gz FKCRDRJUOZXKPC-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN CCC[C@]1(C(=O)OCC)CCCN1CCCSCC#N ZINC000444775451 382980807 /nfs/dbraw/zinc/98/08/07/382980807.db2.gz NHDIKLKDMOQHCX-OAHLLOKOSA-N 0 3 298.452 2.831 20 30 CFEDHN CC(C)[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000444772181 382981429 /nfs/dbraw/zinc/98/14/29/382981429.db2.gz MKMFFSONYINPKP-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CC[C@H]1N(C[C@H](O)C(F)(F)F)CCCC1(C)C ZINC000444788542 382981791 /nfs/dbraw/zinc/98/17/91/382981791.db2.gz WLNWZTKTIITFKK-MNOVXSKESA-N 0 3 265.319 2.976 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N(CC)CC)CCCC1(C)C ZINC000444782515 382982179 /nfs/dbraw/zinc/98/21/79/382982179.db2.gz IXOUIVYSCRHQPW-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N(C)CC)CCCC1(C)C ZINC000444784471 382982588 /nfs/dbraw/zinc/98/25/88/382982588.db2.gz NYLLJUFDVYJOPD-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@](C)(OC)CC1 ZINC000280288104 194783809 /nfs/dbraw/zinc/78/38/09/194783809.db2.gz DYUDDNQZFONLJR-QGZVFWFLSA-N 0 3 288.391 2.958 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCCC(C)(C)C2)CC1 ZINC000446594811 382989407 /nfs/dbraw/zinc/98/94/07/382989407.db2.gz UTEIAJVKVSSBJU-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN CCC1(CC)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446737105 382990745 /nfs/dbraw/zinc/99/07/45/382990745.db2.gz YOGIOKOBMDXIEI-ZBFHGGJFSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@H]1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1 ZINC000579242737 382996000 /nfs/dbraw/zinc/99/60/00/382996000.db2.gz NXYUNHLGNJKBAE-BBRMVZONSA-N 0 3 255.365 2.965 20 30 CFEDHN N#CC[C@@H](O)CS[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000579238806 382996831 /nfs/dbraw/zinc/99/68/31/382996831.db2.gz XYZVOWRQJUHNMF-HZPDHXFCSA-N 0 3 290.432 2.659 20 30 CFEDHN C=CCOCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495590665 382999728 /nfs/dbraw/zinc/99/97/28/382999728.db2.gz DIHXAGTUWOYQEQ-KBPBESRZSA-N 0 3 298.427 2.567 20 30 CFEDHN CCNC(=O)OC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000495614935 383003306 /nfs/dbraw/zinc/00/33/06/383003306.db2.gz CZZIRUPWVJOFOX-ZDUSSCGKSA-N 0 3 281.400 2.527 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@H]1CC[C@H](C#N)C1 ZINC000495729296 383018188 /nfs/dbraw/zinc/01/81/88/383018188.db2.gz OBCALACWLQUBDD-XUXIUFHCSA-N 0 3 293.411 2.666 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2cccc(C)c2)C1 ZINC000541393237 382965753 /nfs/dbraw/zinc/96/57/53/382965753.db2.gz MBPJUYSRNVXLQA-SFHVURJKSA-N 0 3 298.430 2.985 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC1(C)C)C(C)C ZINC000338272984 382970792 /nfs/dbraw/zinc/97/07/92/382970792.db2.gz VRMPXXLSPAFNAT-HUUCEWRRSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCCCNC(=O)NCCN1CCCC[C@H]1CC ZINC000447954592 383034030 /nfs/dbraw/zinc/03/40/30/383034030.db2.gz LXYWEZVIVAWXSX-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000245926583 383048781 /nfs/dbraw/zinc/04/87/81/383048781.db2.gz RNWDTSHHQNAKTI-SOUVJXGZSA-N 0 3 281.444 2.713 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000580317498 383079208 /nfs/dbraw/zinc/07/92/08/383079208.db2.gz CHRSUTWGLXLLCB-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495728902 383018926 /nfs/dbraw/zinc/01/89/26/383018926.db2.gz NBFRBDJTLXLCQU-XJFOESAGSA-N 0 3 293.411 2.524 20 30 CFEDHN C=CCCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000338542160 383020638 /nfs/dbraw/zinc/02/06/38/383020638.db2.gz LKWLSGXBUXVCAI-HIFRSBDPSA-N 0 3 296.773 2.917 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC[C@@H](SC)C1 ZINC000246928774 383122555 /nfs/dbraw/zinc/12/25/55/383122555.db2.gz SXQMXFCFNGQKSC-HUUCEWRRSA-N 0 3 296.480 2.793 20 30 CFEDHN CC#CCN(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496765174 383124660 /nfs/dbraw/zinc/12/46/60/383124660.db2.gz VWCSMCVZGGQUCA-AWEZNQCLSA-N 0 3 280.412 2.589 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000246970274 383126385 /nfs/dbraw/zinc/12/63/85/383126385.db2.gz RVBGMYACBJGZNF-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)[C@]1(C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458135420 383129682 /nfs/dbraw/zinc/12/96/82/383129682.db2.gz QCRVGOWZXOVQBE-BQFCYCMXSA-N 0 3 295.386 2.791 20 30 CFEDHN CC#CCCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000497159741 383130743 /nfs/dbraw/zinc/13/07/43/383130743.db2.gz GVNRXASTACFIGT-UHFFFAOYSA-N 0 3 292.423 2.875 20 30 CFEDHN Cc1cnccc1CCNCc1ccc(C#N)s1 ZINC000339052687 383133524 /nfs/dbraw/zinc/13/35/24/383133524.db2.gz WKDZVHRDWRVJBZ-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(CC)CC)C(C)C ZINC000503412405 383140538 /nfs/dbraw/zinc/14/05/38/383140538.db2.gz UMAYUCQWLQXBOU-OAHLLOKOSA-N 0 3 281.444 2.736 20 30 CFEDHN C[C@H](C1CCCCC1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000582134300 383085200 /nfs/dbraw/zinc/08/52/00/383085200.db2.gz VQMVQVLCGGEBQZ-CXAGYDPISA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C)C[C@H](CNCCCC#N)NC(=O)OC(C)(C)C ZINC000496382847 383094691 /nfs/dbraw/zinc/09/46/91/383094691.db2.gz VQBOOHZTDIFPNA-CYBMUJFWSA-N 0 3 283.416 2.819 20 30 CFEDHN C=CCC1(C(=O)NCCCN(C)CCOC)CCCCC1 ZINC000448689374 383096429 /nfs/dbraw/zinc/09/64/29/383096429.db2.gz HPDBZNWSKRDSTM-UHFFFAOYSA-N 0 3 296.455 2.598 20 30 CFEDHN C[C@H](Cc1cn(C)c2ccc(F)cc12)NCCC#N ZINC000584406252 383099929 /nfs/dbraw/zinc/09/99/29/383099929.db2.gz WYINCBCFWSITQD-LLVKDONJSA-N 0 3 259.328 2.752 20 30 CFEDHN Cc1cc(N2CCN(CC3CCCCC3)CC2)cc(C#N)n1 ZINC000553339140 383106682 /nfs/dbraw/zinc/10/66/82/383106682.db2.gz ABGWASDRXNTDDU-UHFFFAOYSA-N 0 3 298.434 2.964 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000448924798 383108384 /nfs/dbraw/zinc/10/83/84/383108384.db2.gz ZMGPCLGCLJMZKM-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN Cc1cc(C)c(C#N)c(NCCN2CCCC[C@H]2C)n1 ZINC000338986531 383108636 /nfs/dbraw/zinc/10/86/36/383108636.db2.gz PRJDULVFSOCYBC-CQSZACIVSA-N 0 3 272.396 2.856 20 30 CFEDHN C=CCOc1cccc(CN(C)C[C@H]2CCC[C@H]2O)c1 ZINC000246822559 383109274 /nfs/dbraw/zinc/10/92/74/383109274.db2.gz RJZBYAXLPYGYMM-NVXWUHKLSA-N 0 3 275.392 2.844 20 30 CFEDHN C[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000247115532 383145030 /nfs/dbraw/zinc/14/50/30/383145030.db2.gz YPDGEUCECMDQMI-GJZGRUSLSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@](C)(c2ccccc2)C1 ZINC000247479485 383175536 /nfs/dbraw/zinc/17/55/36/383175536.db2.gz SNKZHHDRDBLQEL-QAPCUYQASA-N 0 3 286.419 2.731 20 30 CFEDHN C=CCC[C@@H](O)CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000247484936 383177188 /nfs/dbraw/zinc/17/71/88/383177188.db2.gz RENRQVZRZHSHNS-ZWKOTPCHSA-N 0 3 289.419 2.647 20 30 CFEDHN C=CCn1c(C)nnc1SCCN1C[C@@H](C)C[C@H](C)C1 ZINC000565238256 383177851 /nfs/dbraw/zinc/17/78/51/383177851.db2.gz ONEHVOGJLLCAMD-STQMWFEESA-N 0 3 294.468 2.843 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339206557 383184223 /nfs/dbraw/zinc/18/42/23/383184223.db2.gz VRDSOUJAIZHENG-IAGOWNOFSA-N 0 3 283.375 2.699 20 30 CFEDHN Cc1ncc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000339258390 383187159 /nfs/dbraw/zinc/18/71/59/383187159.db2.gz UFQFQBGWOHYITQ-CQSZACIVSA-N 0 3 299.399 2.840 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1nc(C)c(C)[nH]1)C(C)C ZINC000566499052 383188336 /nfs/dbraw/zinc/18/83/36/383188336.db2.gz LPWVAWOIWXYBCC-INIZCTEOSA-N 0 3 290.455 2.815 20 30 CFEDHN C=C(C)[C@H](CC(=O)N(CCN(C)C)C1CCCC1)OCC ZINC000339368767 383192252 /nfs/dbraw/zinc/19/22/52/383192252.db2.gz XBSLLELVWXKRPS-INIZCTEOSA-N 0 3 296.455 2.691 20 30 CFEDHN CCN1CC[C@@H]2OCCN(CCCCC(C)(C)C#N)[C@H]2C1 ZINC000339388449 383193876 /nfs/dbraw/zinc/19/38/76/383193876.db2.gz ZPVHWGSLSSRBDU-HOTGVXAUSA-N 0 3 293.455 2.501 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247734599 383194204 /nfs/dbraw/zinc/19/42/04/383194204.db2.gz VNDQRIODANISNM-ZNMIVQPWSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](C(=O)NCC)C(C)C)c1 ZINC000339431861 383196308 /nfs/dbraw/zinc/19/63/08/383196308.db2.gz XUEROQARLFBQNJ-MRXNPFEDSA-N 0 3 290.407 2.502 20 30 CFEDHN C[C@H]([NH2+]Cc1ncccc1[O-])c1ccc(C#N)cc1 ZINC000518746202 383206769 /nfs/dbraw/zinc/20/67/69/383206769.db2.gz LXAVZRSNGQJSSK-NSHDSACASA-N 0 3 253.305 2.510 20 30 CFEDHN Cc1ccccc1C(C)(C)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000555612323 383148832 /nfs/dbraw/zinc/14/88/32/383148832.db2.gz WAVVNLUPEDATTL-GOSISDBHSA-N 0 3 299.418 2.628 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1(C)CCC1)C(C)C ZINC000339109069 383151599 /nfs/dbraw/zinc/15/15/99/383151599.db2.gz GCZHAJYDCCXPIR-HNNXBMFYSA-N 0 3 293.455 2.927 20 30 CFEDHN CC#CCN[C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000556886673 383153297 /nfs/dbraw/zinc/15/32/97/383153297.db2.gz SDKLGNJEBWERRJ-BBWFWOEESA-N 0 3 257.377 2.951 20 30 CFEDHN CC1(C)CN(CCOCCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000557027576 383153363 /nfs/dbraw/zinc/15/33/63/383153363.db2.gz FCUJESMUMAPQSZ-VYDXJSESSA-N 0 3 292.423 2.586 20 30 CFEDHN CN(CCOCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000339126718 383159344 /nfs/dbraw/zinc/15/93/44/383159344.db2.gz LHUOIBIDOYWDJF-UHFFFAOYSA-N 0 3 270.735 2.841 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccn(C)n1 ZINC000562738918 383161748 /nfs/dbraw/zinc/16/17/48/383161748.db2.gz RLOOGYAQYQHAGR-HNNXBMFYSA-N 0 3 255.365 2.697 20 30 CFEDHN C=CCCCCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000562693876 383162127 /nfs/dbraw/zinc/16/21/27/383162127.db2.gz LRYYLGRAJUSLTO-AWEZNQCLSA-N 0 3 273.442 2.632 20 30 CFEDHN N#C[C@H]1CC[C@H](Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000516706554 383167288 /nfs/dbraw/zinc/16/72/88/383167288.db2.gz ZQKDBCSPZCWHEQ-YOEHRIQHSA-N 0 3 299.418 2.747 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H](C)C2CCCCC2)C1=O ZINC000339153760 383168983 /nfs/dbraw/zinc/16/89/83/383168983.db2.gz KWTNVGGXSFIOHC-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C)N(CCC#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000520201485 383251173 /nfs/dbraw/zinc/25/11/73/383251173.db2.gz SHBFYYJMTWTWND-MRXNPFEDSA-N 0 3 287.407 2.830 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NCc1nc(C#N)cs1 ZINC000449383258 383252549 /nfs/dbraw/zinc/25/25/49/383252549.db2.gz GAVZAYHWHLMQEM-ZDUSSCGKSA-N 0 3 292.452 2.615 20 30 CFEDHN CO[C@H](CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000449396614 383262275 /nfs/dbraw/zinc/26/22/75/383262275.db2.gz ZNDNFWBNJSSCDA-HNNXBMFYSA-N 0 3 286.400 2.967 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCCC[C@H]1CC ZINC000248618832 383272259 /nfs/dbraw/zinc/27/22/59/383272259.db2.gz JZSAKCOQQKEBJS-HUUCEWRRSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc3c(c2C#N)CCC3)CC1 ZINC000520800626 383275122 /nfs/dbraw/zinc/27/51/22/383275122.db2.gz ZYGPNEZJUAIJPR-UHFFFAOYSA-N 0 3 296.418 2.894 20 30 CFEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000449414219 383276077 /nfs/dbraw/zinc/27/60/77/383276077.db2.gz KDVWOIQCFPZQOL-KGLIPLIRSA-N 0 3 292.404 2.831 20 30 CFEDHN N#Cc1csc(CNC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000339509297 383224014 /nfs/dbraw/zinc/22/40/14/383224014.db2.gz JGQRVFUPZKBDLM-TZMCWYRMSA-N 0 3 269.373 2.908 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000339509295 383224115 /nfs/dbraw/zinc/22/41/15/383224115.db2.gz JGQRVFUPZKBDLM-JSGCOSHPSA-N 0 3 269.373 2.908 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1[C@H](C)C[C@@H]1C ZINC000519797820 383234926 /nfs/dbraw/zinc/23/49/26/383234926.db2.gz JKWXZIAPYHJBOA-LZWOXQAQSA-N 0 3 275.392 2.638 20 30 CFEDHN C=CCCC(C)(C)CN[C@@H](Cc1ccccc1)C(N)=O ZINC000634576682 383243439 /nfs/dbraw/zinc/24/34/39/383243439.db2.gz XUMLZHFQRWWPHL-HNNXBMFYSA-N 0 3 274.408 2.665 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCS[C@H]2COCC[C@H]21 ZINC000249136543 383330093 /nfs/dbraw/zinc/33/00/93/383330093.db2.gz OLCPZXWYKOBISL-CVEARBPZSA-N 0 3 288.416 2.573 20 30 CFEDHN CCOC(=O)[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249153236 383331641 /nfs/dbraw/zinc/33/16/41/383331641.db2.gz YSGCBMFSRHGHIX-CJNGLKHVSA-N 0 3 286.375 2.894 20 30 CFEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248832730 383295768 /nfs/dbraw/zinc/29/57/68/383295768.db2.gz MSLFWOBWZNMGAU-NVXWUHKLSA-N 0 3 286.419 2.979 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425061073 383316746 /nfs/dbraw/zinc/31/67/46/383316746.db2.gz XWBWWFNINVTWRS-RYQLBKOJSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CC(C)(C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000449485255 383325120 /nfs/dbraw/zinc/32/51/20/383325120.db2.gz LPXWLORRHIXUDH-UHFFFAOYSA-N 0 3 280.324 2.611 20 30 CFEDHN C[C@H](O)CN(CC1(C#N)CCC1)C1CCCCC1 ZINC000450356104 383391948 /nfs/dbraw/zinc/39/19/48/383391948.db2.gz FSQSWUAAKUPUEV-ZDUSSCGKSA-N 0 3 250.386 2.696 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C ZINC000525313592 383400856 /nfs/dbraw/zinc/40/08/56/383400856.db2.gz JAVQKOSTXWXMRW-DOMZBBRYSA-N 0 3 296.374 2.787 20 30 CFEDHN CC(C)N(CCCSCC#N)Cc1ccccn1 ZINC000525308606 383401170 /nfs/dbraw/zinc/40/11/70/383401170.db2.gz GXYMMFIVWLOIMK-UHFFFAOYSA-N 0 3 263.410 2.939 20 30 CFEDHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000467376950 383352009 /nfs/dbraw/zinc/35/20/09/383352009.db2.gz MNDPOLRABJXMCE-DCAQKATOSA-N 0 3 250.317 2.771 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2c(c1)OCCCCO2 ZINC000449523262 383352615 /nfs/dbraw/zinc/35/26/15/383352615.db2.gz WZQBCPGCPICTGW-CABCVRRESA-N 0 3 289.375 2.671 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1sccc1OC ZINC000449548803 383355462 /nfs/dbraw/zinc/35/54/62/383355462.db2.gz QVHXPJJWDPWUBN-MNOVXSKESA-N 0 3 253.367 2.580 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OCCOC)c1 ZINC000449548923 383355668 /nfs/dbraw/zinc/35/56/68/383355668.db2.gz SBBIMRNCMRQNJH-SJORKVTESA-N 0 3 291.391 2.535 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000249705116 383356803 /nfs/dbraw/zinc/35/68/03/383356803.db2.gz AFLPITKPRSHWPG-KFWWJZLASA-N 0 3 279.428 2.505 20 30 CFEDHN C=C(CC)CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000449733785 383363700 /nfs/dbraw/zinc/36/37/00/383363700.db2.gz KBIXRSKSHIUCLA-UHFFFAOYSA-N 0 3 295.390 2.915 20 30 CFEDHN C[C@H]1C[C@@H](O)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000449769481 383365414 /nfs/dbraw/zinc/36/54/14/383365414.db2.gz UTVKNLKHTYFKTK-GOEBONIOSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CCCCCCNC(=O)[C@H]1CCCCN1CC ZINC000568222755 383377577 /nfs/dbraw/zinc/37/75/77/383377577.db2.gz BXQYPISQMCQOMC-CQSZACIVSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCCCCCN1CCN(C(C)(C)COC)CC1 ZINC000425504410 383381238 /nfs/dbraw/zinc/38/12/38/383381238.db2.gz LKECYVZHYAZKRB-UHFFFAOYSA-N 0 3 268.445 2.775 20 30 CFEDHN Cc1ncc(CNCCSCc2ccccc2C#N)cn1 ZINC000340459654 383424964 /nfs/dbraw/zinc/42/49/64/383424964.db2.gz IDJUTNBWENLSDR-UHFFFAOYSA-N 0 3 298.415 2.680 20 30 CFEDHN CO[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000340485033 383439037 /nfs/dbraw/zinc/43/90/37/383439037.db2.gz AEYIGUUFTHAVQN-HZPDHXFCSA-N 0 3 256.349 2.560 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C(C)(C)C)C1 ZINC000483228829 383443581 /nfs/dbraw/zinc/44/35/81/383443581.db2.gz AKPYGVRHWKOAKF-WMLDXEAASA-N 0 3 293.455 2.799 20 30 CFEDHN CC(C)(C)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000483259025 383444320 /nfs/dbraw/zinc/44/43/20/383444320.db2.gz ZGLZQBADFWGREO-YOEHRIQHSA-N 0 3 291.439 2.553 20 30 CFEDHN CN1CCC[C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000526996311 383446540 /nfs/dbraw/zinc/44/65/40/383446540.db2.gz KJIYPJZRNOTPLK-NVXWUHKLSA-N 0 3 299.418 2.532 20 30 CFEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000340504888 383447429 /nfs/dbraw/zinc/44/74/29/383447429.db2.gz QZBBPDPGZSBXHT-IINYFYTJSA-N 0 3 264.344 2.897 20 30 CFEDHN C[C@H](NCc1cccc(F)c1C#N)[C@H]1CCCOC1 ZINC000428319256 383450471 /nfs/dbraw/zinc/45/04/71/383450471.db2.gz OTMCUDSSAXFFKU-AAEUAGOBSA-N 0 3 262.328 2.602 20 30 CFEDHN Cc1cc(NC[C@H]2CCN2C2CCCCC2)c(C#N)cn1 ZINC000528117209 383474521 /nfs/dbraw/zinc/47/45/21/383474521.db2.gz LAPDSEGUVXXFAJ-MRXNPFEDSA-N 0 3 284.407 2.503 20 30 CFEDHN CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCC(C)(C)C1 ZINC000569456946 383501582 /nfs/dbraw/zinc/50/15/82/383501582.db2.gz OINMACJIKIDTAE-CQSZACIVSA-N 0 3 283.379 2.611 20 30 CFEDHN Cc1cc(CN2[C@@H](CO)CCC[C@@H]2C)ccc1C#N ZINC000488166712 383503090 /nfs/dbraw/zinc/50/30/90/383503090.db2.gz UZPCEVBSXPSKQA-XJKSGUPXSA-N 0 3 258.365 2.602 20 30 CFEDHN C=CC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528377460 383508707 /nfs/dbraw/zinc/50/87/07/383508707.db2.gz GDCPARRAAJMIFO-INIZCTEOSA-N 0 3 276.424 2.818 20 30 CFEDHN Cc1cc(CN2CCC(CC(=O)N(C)C)CC2)ccc1C#N ZINC000488293020 383514502 /nfs/dbraw/zinc/51/45/02/383514502.db2.gz ZXIJNYQFNOFDPQ-UHFFFAOYSA-N 0 3 299.418 2.557 20 30 CFEDHN Cc1cscc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000429344899 383521436 /nfs/dbraw/zinc/52/14/36/383521436.db2.gz OFTVBLRBOKPFDI-LLVKDONJSA-N 0 3 271.345 2.953 20 30 CFEDHN C=CCCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429389367 383527830 /nfs/dbraw/zinc/52/78/30/383527830.db2.gz VEEXJXLULHZSQQ-OKILXGFUSA-N 0 3 266.429 2.920 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488743891 383572507 /nfs/dbraw/zinc/57/25/07/383572507.db2.gz IWBZMZFQVPGJRY-RVSPLBMKSA-N 0 3 298.434 2.737 20 30 CFEDHN N#Cc1ccc(CN2CCSC3(CCC3)CC2)nc1 ZINC000570342073 383595892 /nfs/dbraw/zinc/59/58/92/383595892.db2.gz ZYTNKRRWSIPZSO-UHFFFAOYSA-N 0 3 273.405 2.815 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000430753019 383599686 /nfs/dbraw/zinc/59/96/86/383599686.db2.gz GGGILIWFAHHRPU-HNNXBMFYSA-N 0 3 299.418 2.868 20 30 CFEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc(C(C)C)no1 ZINC000429719209 383562526 /nfs/dbraw/zinc/56/25/26/383562526.db2.gz OJGWWDQJFWHZRP-CYBMUJFWSA-N 0 3 280.416 2.694 20 30 CFEDHN CC(C)(C)CCN1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429727417 383563894 /nfs/dbraw/zinc/56/38/94/383563894.db2.gz WZTCMXKKHBGNRX-HUUCEWRRSA-N 0 3 263.429 2.732 20 30 CFEDHN C=CCN(C)CCN(CC)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000429724660 383564131 /nfs/dbraw/zinc/56/41/31/383564131.db2.gz QESIEROQYJYLEB-CYBMUJFWSA-N 0 3 294.395 2.567 20 30 CFEDHN C=CCN(C)CCN(CC)CCc1ccc(F)c(F)c1 ZINC000429730144 383564996 /nfs/dbraw/zinc/56/49/96/383564996.db2.gz ZIAPWRHFUMGLJZ-UHFFFAOYSA-N 0 3 282.378 2.947 20 30 CFEDHN CC1(C)CCCN1CCNc1ncc(C#N)cc1Cl ZINC000450952414 383565591 /nfs/dbraw/zinc/56/55/91/383565591.db2.gz SVJPMCDAGLIJHY-UHFFFAOYSA-N 0 3 278.787 2.893 20 30 CFEDHN Cc1nsc(NCCN2CCCC2(C)C)c1C#N ZINC000450953331 383566053 /nfs/dbraw/zinc/56/60/53/383566053.db2.gz XXLMKWKNMIHHFT-UHFFFAOYSA-N 0 3 264.398 2.610 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528784852 383637481 /nfs/dbraw/zinc/63/74/81/383637481.db2.gz UATMBTHAGXGNTQ-ZIKOISBGSA-N 0 3 288.416 2.605 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nccs1 ZINC000280892135 195017405 /nfs/dbraw/zinc/01/74/05/195017405.db2.gz QEVYSWOXRRXBBJ-TUAOUCFPSA-N 0 3 252.383 2.775 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000280898708 195020770 /nfs/dbraw/zinc/02/07/70/195020770.db2.gz DPQYUHABJFFULC-INIZCTEOSA-N 0 3 289.423 2.902 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000451590371 383653327 /nfs/dbraw/zinc/65/33/27/383653327.db2.gz KWGNWPGMECBAOD-HIFRSBDPSA-N 0 3 290.338 2.519 20 30 CFEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000489427209 383617892 /nfs/dbraw/zinc/61/78/92/383617892.db2.gz LZFIHZVHTYFGPD-INIZCTEOSA-N 0 3 283.375 2.927 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(F)cc2C#N)[C@@H]2CCCO[C@H]21 ZINC000451481438 383625059 /nfs/dbraw/zinc/62/50/59/383625059.db2.gz UCYSIKUUOMZKRD-ARFHVFGLSA-N 0 3 288.366 2.991 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451485460 383625961 /nfs/dbraw/zinc/62/59/61/383625961.db2.gz AVGKJFXOVVLYCL-UAGQMJEPSA-N 0 3 298.386 2.614 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000528759335 383626849 /nfs/dbraw/zinc/62/68/49/383626849.db2.gz UASPKSDSIGJPBB-RSQPEXBXSA-N 0 3 262.328 2.599 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000451497933 383628468 /nfs/dbraw/zinc/62/84/68/383628468.db2.gz WGASXQWYYBLFGJ-DOTOQJQBSA-N 0 3 288.391 2.860 20 30 CFEDHN Cc1ccccc1C[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000528915470 383676153 /nfs/dbraw/zinc/67/61/53/383676153.db2.gz NQILPFSXKZZGBV-ZBFHGGJFSA-N 0 3 298.386 2.505 20 30 CFEDHN CCc1nc(CN[C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433020147 383752826 /nfs/dbraw/zinc/75/28/26/383752826.db2.gz RACZFXNBWLIECY-CQSZACIVSA-N 0 3 283.379 2.892 20 30 CFEDHN CCCCNC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433011337 383752999 /nfs/dbraw/zinc/75/29/99/383752999.db2.gz FPNBUIYQZLTEQD-INIZCTEOSA-N 0 3 287.407 2.927 20 30 CFEDHN CC1(C)CCC[C@@H]1CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000530126050 383766729 /nfs/dbraw/zinc/76/67/29/383766729.db2.gz OASUWMRWGHOAQB-HZPDHXFCSA-N 0 3 299.418 2.891 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N1CCCC1 ZINC000530421093 383770851 /nfs/dbraw/zinc/77/08/51/383770851.db2.gz NKVZLIGLBGLAKC-CQSZACIVSA-N 0 3 299.418 2.702 20 30 CFEDHN C[C@@H](CNc1ncccc1C#N)N(C)Cc1ccccc1 ZINC000264707122 383775037 /nfs/dbraw/zinc/77/50/37/383775037.db2.gz FVNOZSCZRFHKQU-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000265079006 383827045 /nfs/dbraw/zinc/82/70/45/383827045.db2.gz ZQONVXMVUWWIRS-HZPDHXFCSA-N 0 3 288.391 2.562 20 30 CFEDHN C=CCN1CC[C@H](NC2(c3cccc(C)c3)CCC2)C1=O ZINC000646022415 383823613 /nfs/dbraw/zinc/82/36/13/383823613.db2.gz CIGORZAYGFQXDW-INIZCTEOSA-N 0 3 284.403 2.751 20 30 CFEDHN C=CCCCN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436266623 383795785 /nfs/dbraw/zinc/79/57/85/383795785.db2.gz AVVUGWHTTYLOSO-MSOLQXFVSA-N 0 3 286.419 2.538 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453345321 383845477 /nfs/dbraw/zinc/84/54/77/383845477.db2.gz HXZYVWPDWQJBIZ-RISCZKNCSA-N 0 3 262.328 2.675 20 30 CFEDHN C#CCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000191886021 533016394 /nfs/dbraw/zinc/01/63/94/533016394.db2.gz PYZMPBORMTVMPH-QGZVFWFLSA-N 0 3 284.403 2.743 20 30 CFEDHN CC(C)[C@@H](NCc1nc(C#N)cs1)C1(CO)CCCC1 ZINC000453608246 383875193 /nfs/dbraw/zinc/87/51/93/383875193.db2.gz DRIVXEDDLWWVGA-CQSZACIVSA-N 0 3 293.436 2.682 20 30 CFEDHN C=CCCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640565426 383829494 /nfs/dbraw/zinc/82/94/94/383829494.db2.gz YFCFTVODFFHBSE-CHWSQXEVSA-N 0 3 273.298 2.687 20 30 CFEDHN N#CCSCCCN1CCC[C@H]1c1ccccn1 ZINC000531201503 383832190 /nfs/dbraw/zinc/83/21/90/383832190.db2.gz ZNGJLADLOOLHOD-AWEZNQCLSA-N 0 3 261.394 2.865 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1cc(C#N)cs1)C1CC1 ZINC000414505815 533018360 /nfs/dbraw/zinc/01/83/60/533018360.db2.gz VKSUVAYZIQZLIQ-HZMBPMFUSA-N 0 3 264.394 2.913 20 30 CFEDHN C=CCCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000573436155 383928597 /nfs/dbraw/zinc/92/85/97/383928597.db2.gz GMBWMPSVCPMCES-NWDGAFQWSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCN1CC[C@H](NC2(c3ccc(C)cc3)CCC2)C1=O ZINC000646130275 383884512 /nfs/dbraw/zinc/88/45/12/383884512.db2.gz MVRSVHZCKYXFMW-INIZCTEOSA-N 0 3 284.403 2.751 20 30 CFEDHN C=CC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265310196 383890986 /nfs/dbraw/zinc/89/09/86/383890986.db2.gz FAYNATGDWQXJIH-OAHLLOKOSA-N 0 3 286.419 2.979 20 30 CFEDHN CC1=CCCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000573280988 383903773 /nfs/dbraw/zinc/90/37/73/383903773.db2.gz IPMCHWIDGFEOCN-UHFFFAOYSA-N 0 3 275.377 2.600 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000265635826 383964920 /nfs/dbraw/zinc/96/49/20/383964920.db2.gz QOAKLTWWUJWWLO-UHFFFAOYSA-N 0 3 277.412 2.569 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)C(C)C ZINC000637321076 384026851 /nfs/dbraw/zinc/02/68/51/384026851.db2.gz DSPAHAVMBJKBHF-UHFFFAOYSA-N 0 3 269.433 2.570 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000637321370 384027128 /nfs/dbraw/zinc/02/71/28/384027128.db2.gz GRTVTFRCNLKNEH-AWEZNQCLSA-N 0 3 295.471 2.960 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000637321702 384027988 /nfs/dbraw/zinc/02/79/88/384027988.db2.gz JNWXHGMDGWCFAR-ZIAGYGMSSA-N 0 3 281.444 2.570 20 30 CFEDHN CC(C)N(CC(=O)Nc1sccc1C#N)CC1CC1 ZINC000532667450 384056462 /nfs/dbraw/zinc/05/64/62/384056462.db2.gz FRELINBGUIGKFC-UHFFFAOYSA-N 0 3 277.393 2.679 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000266028534 384059183 /nfs/dbraw/zinc/05/91/83/384059183.db2.gz YVJHRCFJRNCTMO-KPBXEYHCSA-N 0 3 297.402 2.513 20 30 CFEDHN N#Cc1ccc(CNCCCc2ccc(O)cc2)o1 ZINC000266157127 384099060 /nfs/dbraw/zinc/09/90/60/384099060.db2.gz MKLJJCADHACUDC-UHFFFAOYSA-N 0 3 256.305 2.579 20 30 CFEDHN C=CCCC[C@@H](C)n1cc([C@H](N)C2CCOCC2)nn1 ZINC000641232594 384140145 /nfs/dbraw/zinc/14/01/45/384140145.db2.gz HCOKYFXGWIXDPI-IUODEOHRSA-N 0 3 278.400 2.622 20 30 CFEDHN C[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(C#N)cc1 ZINC000266473705 384181720 /nfs/dbraw/zinc/18/17/20/384181720.db2.gz OMJMDMSCNVYOBP-CYBMUJFWSA-N 0 3 280.375 2.870 20 30 CFEDHN C#CCNC(=O)CCN[C@H](CC)c1cccc(Cl)c1 ZINC000266893679 384255815 /nfs/dbraw/zinc/25/58/15/384255815.db2.gz RPQYHSINCWNMSN-CQSZACIVSA-N 0 3 278.783 2.520 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CO)C/C=C/C ZINC000641747965 384313879 /nfs/dbraw/zinc/31/38/79/384313879.db2.gz MSJWBXWUDDCAHR-SJDLMVEWSA-N 0 3 261.365 2.668 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C)c(Cl)c1 ZINC000641768154 384335443 /nfs/dbraw/zinc/33/54/43/384335443.db2.gz XNGJNFLVWOJFCN-CYBMUJFWSA-N 0 3 251.757 2.512 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(Cl)cc1C ZINC000641768279 384335471 /nfs/dbraw/zinc/33/54/71/384335471.db2.gz YXRZRHFKEDLSNX-CQSZACIVSA-N 0 3 251.757 2.512 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(F)ccc1OC(F)F ZINC000641760771 384327176 /nfs/dbraw/zinc/32/71/76/384327176.db2.gz VYTDFYYYTLACEM-LBPRGKRZSA-N 0 3 289.297 2.844 20 30 CFEDHN CC#CC[C@H](CO)NCc1cscc1C(F)(F)F ZINC000641766708 384332004 /nfs/dbraw/zinc/33/20/04/384332004.db2.gz AQSDDRFBPFFLIO-SNVBAGLBSA-N 0 3 277.311 2.631 20 30 CFEDHN C[C@@H]1CCCN(CCNc2ccc(Cl)c(C#N)n2)C1 ZINC000267241783 384333874 /nfs/dbraw/zinc/33/38/74/384333874.db2.gz RZJFQCXFURIQPI-LLVKDONJSA-N 0 3 278.787 2.750 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)O ZINC000267400065 384381256 /nfs/dbraw/zinc/38/12/56/384381256.db2.gz QOSVYUSBCOWXKS-UHFFFAOYSA-N 0 3 285.309 2.760 20 30 CFEDHN C=CCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278363461 384542947 /nfs/dbraw/zinc/54/29/47/384542947.db2.gz FNMOTYXKWHUAKP-GFCCVEGCSA-N 0 3 250.317 2.640 20 30 CFEDHN C=C(C)CN1CCC(Oc2ncccc2F)CC1 ZINC000278401625 384560810 /nfs/dbraw/zinc/56/08/10/384560810.db2.gz WPFKOMJKYMQCCO-UHFFFAOYSA-N 0 3 250.317 2.640 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279186939 384607772 /nfs/dbraw/zinc/60/77/72/384607772.db2.gz VZPHRRAACDQXML-ABAIWWIYSA-N 0 3 290.363 2.844 20 30 CFEDHN CC#CCN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268342529 384607872 /nfs/dbraw/zinc/60/78/72/384607872.db2.gz AMYIJAGCIAVNTO-HUUCEWRRSA-N 0 3 261.365 2.971 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCc1cccc(Br)c1 ZINC000643418918 384627595 /nfs/dbraw/zinc/62/75/95/384627595.db2.gz NTNULMKXRPGYOK-CQSZACIVSA-N 0 3 298.224 2.860 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000638454815 384672273 /nfs/dbraw/zinc/67/22/73/384672273.db2.gz LAYWYEKBSGFJQR-OAHLLOKOSA-N 0 3 272.392 2.592 20 30 CFEDHN C=C(CNC[C@@H](OC)C1CCOCC1)c1ccccc1 ZINC000638438702 384654776 /nfs/dbraw/zinc/65/47/76/384654776.db2.gz LVSAZZBZCDOFEG-QGZVFWFLSA-N 0 3 275.392 2.731 20 30 CFEDHN COC[C@H](NCC#Cc1ccccc1Cl)C1CC1 ZINC000347798660 533086132 /nfs/dbraw/zinc/08/61/32/533086132.db2.gz KVPWXMDUZCHWRV-HNNXBMFYSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000638474059 384685981 /nfs/dbraw/zinc/68/59/81/384685981.db2.gz HAWZXLGVGDJKHQ-BBRMVZONSA-N 0 3 270.376 2.646 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(OC)ncc2Cl)CC1 ZINC000269046416 384717587 /nfs/dbraw/zinc/71/75/87/384717587.db2.gz OOZNDOVTIHIPEM-UHFFFAOYSA-N 0 3 296.802 2.591 20 30 CFEDHN CCC[C@@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1ccccc1 ZINC000279682988 384720497 /nfs/dbraw/zinc/72/04/97/384720497.db2.gz OYZGIVHOGNTRSQ-QZTJIDSGSA-N 0 3 297.402 2.889 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000279718582 384736803 /nfs/dbraw/zinc/73/68/03/384736803.db2.gz LWAKHGIOECXMOP-BPQIPLTHSA-N 0 3 297.398 2.746 20 30 CFEDHN CC(C)CC[C@@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000280177453 384916846 /nfs/dbraw/zinc/91/68/46/384916846.db2.gz CAPGBHKCIXQYKG-MRXNPFEDSA-N 0 3 260.381 2.787 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(Cl)cc(Cl)c1N ZINC000638829090 384959967 /nfs/dbraw/zinc/95/99/67/384959967.db2.gz IQZSPWCFFHTGFV-SECBINFHSA-N 0 3 289.206 2.850 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000280372096 384995087 /nfs/dbraw/zinc/99/50/87/384995087.db2.gz DPRZVAJTMXWIKP-VXGBXAGGSA-N 0 3 264.394 2.745 20 30 CFEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000289266635 197280219 /nfs/dbraw/zinc/28/02/19/197280219.db2.gz GAMXPRHKCPULPM-GFCCVEGCSA-N 0 3 291.420 2.500 20 30 CFEDHN COC(=O)CC1(NCC#Cc2ccccc2)CCCC1 ZINC000280459901 385023340 /nfs/dbraw/zinc/02/33/40/385023340.db2.gz OIVFFHCQBLELSB-UHFFFAOYSA-N 0 3 271.360 2.504 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCC[C@@H]1O ZINC000270220179 385019762 /nfs/dbraw/zinc/01/97/62/385019762.db2.gz ZDIMUZIZUVLLGM-ZBFHGGJFSA-N 0 3 277.795 2.784 20 30 CFEDHN C[C@H](CO)N(CC#Cc1ccccc1)CC1CCC1 ZINC000280584389 385072468 /nfs/dbraw/zinc/07/24/68/385072468.db2.gz TVBIXDUSLNQJBB-OAHLLOKOSA-N 0 3 257.377 2.521 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H](OC)C1CCOCC1 ZINC000638917790 385030896 /nfs/dbraw/zinc/03/08/96/385030896.db2.gz INWKQPUUXSJFSL-KRWDZBQOSA-N 0 3 293.407 2.752 20 30 CFEDHN CN1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccccc1 ZINC000270273848 385039326 /nfs/dbraw/zinc/03/93/26/385039326.db2.gz KVVPSKIGQSVFBE-CVEARBPZSA-N 0 3 278.359 2.811 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1csc(C)n1 ZINC000280666968 385107197 /nfs/dbraw/zinc/10/71/97/385107197.db2.gz PNSAOFUEFJCUHR-YPMHNXCESA-N 0 3 252.383 2.522 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccccc3C)C2)C1=O ZINC000281138807 385184986 /nfs/dbraw/zinc/18/49/86/385184986.db2.gz ALWBRBGHCSOWKW-DOTOQJQBSA-N 0 3 284.403 2.571 20 30 CFEDHN C#CCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000270566455 385148616 /nfs/dbraw/zinc/14/86/16/385148616.db2.gz ZDVKRNATOUVBKE-UHFFFAOYSA-N 0 3 280.375 2.674 20 30 CFEDHN CC(C#N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000335975927 533108939 /nfs/dbraw/zinc/10/89/39/533108939.db2.gz CECCEXLREOLXIX-NHYWBVRUSA-N 0 3 254.333 2.825 20 30 CFEDHN C#CCN(C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000192233200 533108959 /nfs/dbraw/zinc/10/89/59/533108959.db2.gz HLIHSZKIEPTRKE-UHFFFAOYSA-N 0 3 287.338 2.682 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645205499 385242540 /nfs/dbraw/zinc/24/25/40/385242540.db2.gz PBJLGUFPPVGMIK-WFASDCNBSA-N 0 3 289.354 2.599 20 30 CFEDHN C#CCCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000270875269 385254085 /nfs/dbraw/zinc/25/40/85/385254085.db2.gz AIYKMGPEBMJNKS-OAHLLOKOSA-N 0 3 290.794 2.791 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271016360 385303213 /nfs/dbraw/zinc/30/32/13/385303213.db2.gz IKUPNCWEHWBWGM-OAHLLOKOSA-N 0 3 296.374 2.670 20 30 CFEDHN CCN(CCOC)Cc1ccc(N(C)CCC#N)cc1 ZINC000271032055 385312513 /nfs/dbraw/zinc/31/25/13/385312513.db2.gz DGWHENOOFYGXGI-UHFFFAOYSA-N 0 3 275.396 2.505 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000645238461 385261251 /nfs/dbraw/zinc/26/12/51/385261251.db2.gz RPCMXRBIVAYLEY-HUUCEWRRSA-N 0 3 281.783 2.730 20 30 CFEDHN C#CCCCN(CC)CC(=O)Nc1c(C)cccc1C ZINC000271004105 385298811 /nfs/dbraw/zinc/29/88/11/385298811.db2.gz GRQRKDGNDXQCMP-UHFFFAOYSA-N 0 3 272.392 2.977 20 30 CFEDHN C#CCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000271075884 385328902 /nfs/dbraw/zinc/32/89/02/385328902.db2.gz WUULFTPKIIZWBM-QGZVFWFLSA-N 0 3 284.403 2.684 20 30 CFEDHN CC(C#N)C(=O)NCCc1c(Cl)cccc1Cl ZINC000347080114 533113979 /nfs/dbraw/zinc/11/39/79/533113979.db2.gz WENPPDZSEDLKDQ-QMMMGPOBSA-N 0 3 271.147 2.812 20 30 CFEDHN CC(C#N)C(=O)NCCc1csc2ccccc12 ZINC000347030704 533114681 /nfs/dbraw/zinc/11/46/81/533114681.db2.gz CMYLMJOAONAOIU-JTQLQIEISA-N 0 3 258.346 2.720 20 30 CFEDHN C=CCCCN(CCNC(C)=O)Cc1ccsc1 ZINC000282563776 385343128 /nfs/dbraw/zinc/34/31/28/385343128.db2.gz ULEKFZZFXXARRT-UHFFFAOYSA-N 0 3 266.410 2.652 20 30 CFEDHN C#CCCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271166879 385359076 /nfs/dbraw/zinc/35/90/76/385359076.db2.gz LMHCHJFBCXICIH-UHFFFAOYSA-N 0 3 272.175 2.811 20 30 CFEDHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271923041 385402735 /nfs/dbraw/zinc/40/27/35/385402735.db2.gz FJTBMMTUTARZGN-BIBXISHDSA-N 0 3 296.411 2.895 20 30 CFEDHN CC(C)[C@H](O)C1(CNCc2ccc(C#N)cc2F)CC1 ZINC000271973827 385415538 /nfs/dbraw/zinc/41/55/38/385415538.db2.gz IFBSHOHBVPZWLN-HNNXBMFYSA-N 0 3 276.355 2.584 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272195769 385471530 /nfs/dbraw/zinc/47/15/30/385471530.db2.gz OKKNJUHAMWPSPR-CQSZACIVSA-N 0 3 299.418 2.669 20 30 CFEDHN C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000283375501 385459964 /nfs/dbraw/zinc/45/99/64/385459964.db2.gz CYADDQATWGGLLI-RAIGVLPGSA-N 0 3 289.404 2.503 20 30 CFEDHN COC[C@@H](NC1(c2cccc(C#N)c2)CC1)C(C)C ZINC000272152937 385461621 /nfs/dbraw/zinc/46/16/21/385461621.db2.gz ATLDWDLQYLCCCR-OAHLLOKOSA-N 0 3 258.365 2.808 20 30 CFEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1O ZINC000272286700 385499303 /nfs/dbraw/zinc/49/93/03/385499303.db2.gz DQNPAJWYABFBEN-JKSUJKDBSA-N 0 3 272.392 2.787 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn2cc(C)ccc2n1 ZINC000283813875 385502686 /nfs/dbraw/zinc/50/26/86/385502686.db2.gz DIILEFMIDHIFQF-PBHICJAKSA-N 0 3 285.391 2.714 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC000283963988 385518914 /nfs/dbraw/zinc/51/89/14/385518914.db2.gz LUUDFOGOHKEOTK-UHFFFAOYSA-N 0 3 287.407 2.662 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000285947201 385558596 /nfs/dbraw/zinc/55/85/96/385558596.db2.gz CBVQPSMMWBXGGX-QGPMSJSTSA-N 0 3 299.418 2.563 20 30 CFEDHN Cc1cc(C#N)nc(N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000286126280 385562058 /nfs/dbraw/zinc/56/20/58/385562058.db2.gz FLQRPTSXRRNPFZ-HOTGVXAUSA-N 0 3 293.374 2.514 20 30 CFEDHN C=CCOCCN[C@H](C)c1cc(F)ccc1OC ZINC000272582756 385568783 /nfs/dbraw/zinc/56/87/83/385568783.db2.gz QTAZKSQQKYOHMW-LLVKDONJSA-N 0 3 253.317 2.688 20 30 CFEDHN C=CCC[C@@H](NCCN1CCSCC1)c1ccco1 ZINC000286272465 385580887 /nfs/dbraw/zinc/58/08/87/385580887.db2.gz VJSPBLFIWKOIAW-CQSZACIVSA-N 0 3 280.437 2.925 20 30 CFEDHN CN(c1nc(Cl)c(C#N)s1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000286428902 385617978 /nfs/dbraw/zinc/61/79/78/385617978.db2.gz QKMMNDAAHITRMF-ULKQDVFKSA-N 0 3 296.827 2.730 20 30 CFEDHN CCN1CCN(CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000286463959 385627396 /nfs/dbraw/zinc/62/73/96/385627396.db2.gz KMPWJNHOCDUFEZ-CQSZACIVSA-N 0 3 276.811 2.718 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCO[C@H]1C ZINC000639642519 385628962 /nfs/dbraw/zinc/62/89/62/385628962.db2.gz TVGLGAZLUCYSKD-UONOGXRCSA-N 0 3 279.380 2.575 20 30 CFEDHN C#CCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000272872472 385637330 /nfs/dbraw/zinc/63/73/30/385637330.db2.gz AULCXGFAGKYAGN-LLVKDONJSA-N 0 3 271.286 2.562 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(C)c(C)cc1C ZINC000272882690 385640536 /nfs/dbraw/zinc/64/05/36/385640536.db2.gz QYGCCDJTWGENKE-HNNXBMFYSA-N 0 3 295.448 2.863 20 30 CFEDHN N#Cc1ccc(CN[C@H]2COc3ccc(F)cc3C2)s1 ZINC000288705969 197148513 /nfs/dbraw/zinc/14/85/13/197148513.db2.gz YYPXEDMGMLDNML-GFCCVEGCSA-N 0 3 288.347 2.852 20 30 CFEDHN Cc1c(Cl)cnc(N2CCCN(C(C)C)CC2)c1C#N ZINC000273286845 385675232 /nfs/dbraw/zinc/67/52/32/385675232.db2.gz DZYLAUPSFNBJMW-UHFFFAOYSA-N 0 3 292.814 2.836 20 30 CFEDHN CN(CCCN(C)c1ccnc(C#N)c1)Cc1ccco1 ZINC000286690696 385687702 /nfs/dbraw/zinc/68/77/02/385687702.db2.gz YZNDROMWQHVRLS-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN C=CCN(Cc1cccc2c1CCOC2)[C@H](C)COC ZINC000639785391 385708278 /nfs/dbraw/zinc/70/82/78/385708278.db2.gz WVECAIDPYFMVJN-CQSZACIVSA-N 0 3 275.392 2.782 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000274147978 385727986 /nfs/dbraw/zinc/72/79/86/385727986.db2.gz FLQOVXYFXXILPX-JHJVBQTASA-N 0 3 274.364 2.797 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@](C)(CC)c2ccc(F)cc2)C1=O ZINC000639928791 385780307 /nfs/dbraw/zinc/78/03/07/385780307.db2.gz OHYAPAZTZSESRJ-WBVHZDCISA-N 0 3 290.382 2.827 20 30 CFEDHN C=CCCCN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809994 385720346 /nfs/dbraw/zinc/72/03/46/385720346.db2.gz RBAXLOOZYMXZDN-UHFFFAOYSA-N 0 3 280.437 2.787 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCF)CC1 ZINC000639987770 385808001 /nfs/dbraw/zinc/80/80/01/385808001.db2.gz QADULXIOWVBUQD-AWEZNQCLSA-N 0 3 282.403 2.647 20 30 CFEDHN C=C(C)COc1cc(CNCCC(C)(C)O)ccc1OC ZINC000274730272 385858269 /nfs/dbraw/zinc/85/82/69/385858269.db2.gz HANXTWUDZGDLAW-UHFFFAOYSA-N 0 3 293.407 2.901 20 30 CFEDHN CC[C@H](NCC1=CCCOC1)c1ccc(C#N)cc1 ZINC000287180719 385796175 /nfs/dbraw/zinc/79/61/75/385796175.db2.gz VEUKBBBNIJTPEM-INIZCTEOSA-N 0 3 256.349 2.946 20 30 CFEDHN C=C(C)[C@@H](NC[C@H](O)COCC)c1ccc(F)c(F)c1 ZINC000274899020 385893276 /nfs/dbraw/zinc/89/32/76/385893276.db2.gz RZJVXNWQGBKVLI-SWLSCSKDSA-N 0 3 285.334 2.569 20 30 CFEDHN C[C@@H](NCCC(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000274769056 385867479 /nfs/dbraw/zinc/86/74/79/385867479.db2.gz GZICLPSGBUUHOL-SNVBAGLBSA-N 0 3 250.317 2.509 20 30 CFEDHN COCC#CCN1CCC[C@@]1(C)Cc1ccccc1 ZINC000681037965 542401674 /nfs/dbraw/zinc/40/16/74/542401674.db2.gz OZWSIOQFJMUYMB-KRWDZBQOSA-N 0 3 257.377 2.733 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288469532 197087544 /nfs/dbraw/zinc/08/75/44/197087544.db2.gz ZZHQEIAIXVDOGA-GDBMZVCRSA-N 0 3 272.392 2.732 20 30 CFEDHN CCOCC(C)(C)CNCc1ccc(C#N)cc1F ZINC000288432097 197076661 /nfs/dbraw/zinc/07/66/61/197076661.db2.gz BQKWTQXOTFNQRW-UHFFFAOYSA-N 0 3 264.344 2.850 20 30 CFEDHN COC1(CNCc2ccc(C#N)cc2F)CCCC1 ZINC000276974578 386095656 /nfs/dbraw/zinc/09/56/56/386095656.db2.gz QWHPYLLSYVOIPV-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCc2ccc(C)cc2)C1=O ZINC000281333158 195200122 /nfs/dbraw/zinc/20/01/22/195200122.db2.gz MAAXAWJJFCVURH-QGZVFWFLSA-N 0 3 286.419 2.646 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)c2ccccc2)C1=O ZINC000281366168 195212559 /nfs/dbraw/zinc/21/25/59/195212559.db2.gz VEAHSSGNTKKAIV-ZBFHGGJFSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H](C)c2ccccc2)C1=O ZINC000281366163 195212815 /nfs/dbraw/zinc/21/28/15/195212815.db2.gz VEAHSSGNTKKAIV-HOCLYGCPSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)c1ccc(CN(C)C)cc1 ZINC000281380822 195218382 /nfs/dbraw/zinc/21/83/82/195218382.db2.gz NRCFEYMCTWPZMY-OAHLLOKOSA-N 0 3 260.381 2.833 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000186686368 262320697 /nfs/dbraw/zinc/32/06/97/262320697.db2.gz ACPHGWOZYQXTFB-WDEREUQCSA-N 0 3 271.307 2.876 20 30 CFEDHN C=CCCOCCN[C@H](c1cncc(F)c1)C1CC1 ZINC000281558511 195287991 /nfs/dbraw/zinc/28/79/91/195287991.db2.gz JTGJJYBMNSZAPI-HNNXBMFYSA-N 0 3 264.344 2.854 20 30 CFEDHN C=CCN(CCc1ccco1)CC1(CC(=O)OC)CC1 ZINC000281713763 195348510 /nfs/dbraw/zinc/34/85/10/195348510.db2.gz UUBUQZDMLPKXRB-UHFFFAOYSA-N 0 3 277.364 2.653 20 30 CFEDHN C=CCN(CC=C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283583131 195882131 /nfs/dbraw/zinc/88/21/31/195882131.db2.gz PFBBGSFIJLBBID-INIZCTEOSA-N 0 3 284.403 2.823 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000179012214 533270838 /nfs/dbraw/zinc/27/08/38/533270838.db2.gz NXWUXXPHQIBSLG-OKILXGFUSA-N 0 3 256.349 2.655 20 30 CFEDHN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000414308886 533518341 /nfs/dbraw/zinc/51/83/41/533518341.db2.gz WYTPGDCUPHEWOD-FZQKWOKYSA-N 0 3 298.308 2.897 20 30 CFEDHN COc1ccc(CN2CCCCC[C@@H]2CCO)cc1C#N ZINC000342047975 130220109 /nfs/dbraw/zinc/22/01/09/130220109.db2.gz NBJHYUDNHUQAQB-MRXNPFEDSA-N 0 3 288.391 2.694 20 30 CFEDHN CCC[C@@H](C)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355467650 130307531 /nfs/dbraw/zinc/30/75/31/130307531.db2.gz LGDOTFFTLYVNKY-CQSZACIVSA-N 0 3 272.396 2.511 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000192034122 130355026 /nfs/dbraw/zinc/35/50/26/130355026.db2.gz VYABPSGOECYGES-DLBZAZTESA-N 0 3 257.377 2.664 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC(C)(C)O ZINC000356132676 130378106 /nfs/dbraw/zinc/37/81/06/130378106.db2.gz VOPBLIYIUQMNSH-UHFFFAOYSA-N 0 3 286.297 2.780 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H](C)C1 ZINC000261378523 131150732 /nfs/dbraw/zinc/15/07/32/131150732.db2.gz AMGVYCHISKPNHP-KBPBESRZSA-N 0 3 292.448 2.993 20 30 CFEDHN N#Cc1nccnc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000263737221 131319282 /nfs/dbraw/zinc/31/92/82/131319282.db2.gz CXTNSKAABQSPPX-INIZCTEOSA-N 0 3 293.374 2.597 20 30 CFEDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000263763016 131324432 /nfs/dbraw/zinc/32/44/32/131324432.db2.gz RLARKFMURLJJGP-QGZVFWFLSA-N 0 3 299.418 2.542 20 30 CFEDHN CN(CC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000263805030 131335375 /nfs/dbraw/zinc/33/53/75/131335375.db2.gz RPHGMQAXVJQLTI-HNNXBMFYSA-N 0 3 285.391 2.641 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n[nH]1 ZINC000268422669 132007362 /nfs/dbraw/zinc/00/73/62/132007362.db2.gz DCTSYKCORPSFNL-ZDUSSCGKSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000268422669 132007363 /nfs/dbraw/zinc/00/73/63/132007363.db2.gz DCTSYKCORPSFNL-ZDUSSCGKSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC000268422669 132007364 /nfs/dbraw/zinc/00/73/64/132007364.db2.gz DCTSYKCORPSFNL-ZDUSSCGKSA-N 0 3 299.353 2.504 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OC)c(C)c1 ZINC000268540966 132024135 /nfs/dbraw/zinc/02/41/35/132024135.db2.gz LAJZRALAXAFXLC-HNNXBMFYSA-N 0 3 263.381 2.763 20 30 CFEDHN COc1cccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000268637160 132039733 /nfs/dbraw/zinc/03/97/33/132039733.db2.gz RJOGLPSAXFGFFF-SFHVURJKSA-N 0 3 296.370 2.732 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NC[C@H](O)c2ccc(C)o2)cc1 ZINC000268982922 132095460 /nfs/dbraw/zinc/09/54/60/132095460.db2.gz KUTBNTFZLZHFFC-PBHICJAKSA-N 0 3 299.370 2.984 20 30 CFEDHN C=CCC[C@H](NCCn1cncn1)c1ccccc1 ZINC000269427733 132168876 /nfs/dbraw/zinc/16/88/76/132168876.db2.gz OKILLDFMBVJXRN-HNNXBMFYSA-N 0 3 256.353 2.575 20 30 CFEDHN COc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181549757 413055970 /nfs/dbraw/zinc/05/59/70/413055970.db2.gz VBAYKWAGHWZPRY-SUMWQHHRSA-N 0 3 296.370 2.951 20 30 CFEDHN CCCCCCCN1CCC(N2C(=O)CCCC2=O)CC1 ZINC000372317225 393446377 /nfs/dbraw/zinc/44/63/77/393446377.db2.gz VMPQSKISVJTQIA-UHFFFAOYSA-N 0 3 294.439 2.960 20 30 CFEDHN C=CC1CCN(Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000372399801 393447579 /nfs/dbraw/zinc/44/75/79/393447579.db2.gz VNAISGPDNVEFDH-UHFFFAOYSA-N 0 3 268.364 2.870 20 30 CFEDHN C=CCN(C(=O)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372597427 393452701 /nfs/dbraw/zinc/45/27/01/393452701.db2.gz AUGLURBUNZRTFA-QGZVFWFLSA-N 0 3 286.419 2.932 20 30 CFEDHN CCCCCCCC(=O)N1CCN2CCC1CC2 ZINC000372729060 393455176 /nfs/dbraw/zinc/45/51/76/393455176.db2.gz SYEARHWBFZFOKI-UHFFFAOYSA-N 0 3 252.402 2.654 20 30 CFEDHN COC(=O)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000377995135 393540244 /nfs/dbraw/zinc/54/02/44/393540244.db2.gz LGFXNOHUXQHIEI-SWLSCSKDSA-N 0 3 286.375 2.750 20 30 CFEDHN Cc1cc(C)n([C@H](C)C(=O)N[C@@H](C)C2=CCN(C)CC2)n1 ZINC000329518903 393540706 /nfs/dbraw/zinc/54/07/06/393540706.db2.gz PWYYHGKQFYEISX-UONOGXRCSA-N 0 3 290.411 2.668 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3cccs3)C[C@@H]2C)C1=O ZINC000374156346 393485722 /nfs/dbraw/zinc/48/57/22/393485722.db2.gz CPQXEMZWMWTCCK-IHRRRGAJSA-N 0 3 290.432 2.713 20 30 CFEDHN COC[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000307764870 393514900 /nfs/dbraw/zinc/51/49/00/393514900.db2.gz ODJDRBKFAOXWGS-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000184284548 393526010 /nfs/dbraw/zinc/52/60/10/393526010.db2.gz MWWIKHCQJXVZBO-NSHDSACASA-N 0 3 277.261 2.871 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OCc2ccncc2)cc1 ZINC000184261790 393526420 /nfs/dbraw/zinc/52/64/20/393526420.db2.gz HOKASVAERJANMO-QGZVFWFLSA-N 0 3 298.386 2.687 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CN1C1CC1 ZINC000329899279 393550835 /nfs/dbraw/zinc/55/08/35/393550835.db2.gz MVYQACVWSJYTFP-LPWJVIDDSA-N 0 3 293.411 2.910 20 30 CFEDHN CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000330330954 393552855 /nfs/dbraw/zinc/55/28/55/393552855.db2.gz XHEAGGZDLBHCDE-HZSPNIEDSA-N 0 3 280.412 2.509 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2cncn2)C1 ZINC000187678066 393556489 /nfs/dbraw/zinc/55/64/89/393556489.db2.gz VOKQYRYNNQYMMJ-CJNGLKHVSA-N 0 3 281.363 2.548 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccco1)C(C)C ZINC000046049369 393574308 /nfs/dbraw/zinc/57/43/08/393574308.db2.gz NIHJKHOEVHLGMR-AWEZNQCLSA-N 0 3 276.380 2.708 20 30 CFEDHN Cc1ccc(C)c(OC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334322671 393594189 /nfs/dbraw/zinc/59/41/89/393594189.db2.gz IUWNMJQJOAIOOQ-CQSZACIVSA-N 0 3 286.375 2.833 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COc1ccccc1Cl ZINC000192947198 393637777 /nfs/dbraw/zinc/63/77/77/393637777.db2.gz CPQDZBATYVWUMZ-CYBMUJFWSA-N 0 3 281.783 2.754 20 30 CFEDHN C=CCCCCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000193315884 393648135 /nfs/dbraw/zinc/64/81/35/393648135.db2.gz LXGFWBANIVKSDF-UHFFFAOYSA-N 0 3 284.407 2.822 20 30 CFEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C(C)C(F)(F)F ZINC000411064030 393656700 /nfs/dbraw/zinc/65/67/00/393656700.db2.gz MATFGOZLOUZRLK-ZETCQYMHSA-N 0 3 284.237 2.898 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc2cc(F)ccc2o1 ZINC000411642363 393733997 /nfs/dbraw/zinc/73/39/97/393733997.db2.gz MXXDSYLFMSWIAK-UHFFFAOYSA-N 0 3 291.370 2.907 20 30 CFEDHN CCN1CCN(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411716171 393741881 /nfs/dbraw/zinc/74/18/81/393741881.db2.gz FDUDCEXUWKLMHI-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN CO[C@@](C)([C@H](C)NCC#Cc1ccccc1)C1CC1 ZINC000411977001 393758717 /nfs/dbraw/zinc/75/87/17/393758717.db2.gz XKVUBEOSYXTZBE-YOEHRIQHSA-N 0 3 257.377 2.831 20 30 CFEDHN Cc1cc(Br)ccc1CN(C)C(=O)C(C)C#N ZINC000335750819 393696997 /nfs/dbraw/zinc/69/69/97/393696997.db2.gz KUAXJSYTDLLMSZ-JTQLQIEISA-N 0 3 295.180 2.876 20 30 CFEDHN C=C(C)CN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009205 393759558 /nfs/dbraw/zinc/75/95/58/393759558.db2.gz NFGNTHOGMJLUFO-MRXNPFEDSA-N 0 3 275.392 2.683 20 30 CFEDHN C=CCCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000412562031 393770026 /nfs/dbraw/zinc/77/00/26/393770026.db2.gz VUWLIANRDGYOHO-UHFFFAOYSA-N 0 3 250.317 2.792 20 30 CFEDHN Cc1cc(N[C@H]2CCCN(C)[C@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413238580 393780453 /nfs/dbraw/zinc/78/04/53/393780453.db2.gz IFVYUOHMOMOWCY-AAEUAGOBSA-N 0 3 288.351 2.670 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccccn1 ZINC000338319492 393781542 /nfs/dbraw/zinc/78/15/42/393781542.db2.gz IYFQYQSGYBACSY-JTQLQIEISA-N 0 3 291.232 2.985 20 30 CFEDHN C=C(CC)CN1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000338388202 393786988 /nfs/dbraw/zinc/78/69/88/393786988.db2.gz VNEFTAGMSLISSN-CQSZACIVSA-N 0 3 276.380 2.688 20 30 CFEDHN C=CCCC(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413900930 393792392 /nfs/dbraw/zinc/79/23/92/393792392.db2.gz LOUYLGMCRBNKAF-UHFFFAOYSA-N 0 3 280.343 2.671 20 30 CFEDHN COCC[C@@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000413885564 393792433 /nfs/dbraw/zinc/79/24/33/393792433.db2.gz ZXGOTNLIUWIBNE-GDBMZVCRSA-N 0 3 288.391 2.548 20 30 CFEDHN C=CCOCCN1CCC(c2ccc(O)cc2)CC1 ZINC000338881022 393804502 /nfs/dbraw/zinc/80/45/02/393804502.db2.gz DVTHZIJHIPQWEG-UHFFFAOYSA-N 0 3 261.365 2.774 20 30 CFEDHN COc1ccccc1CCN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000338962353 393806784 /nfs/dbraw/zinc/80/67/84/393806784.db2.gz GIICNZHYLCSVGF-HIFRSBDPSA-N 0 3 258.365 2.862 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccccn3)CC2)C1 ZINC000339037662 393812376 /nfs/dbraw/zinc/81/23/76/393812376.db2.gz PHTBDVRSZQUUAH-ZIAGYGMSSA-N 0 3 271.364 2.617 20 30 CFEDHN C=CCOCC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000339054363 393813704 /nfs/dbraw/zinc/81/37/04/393813704.db2.gz KIUKRJIRFLHTBI-OAHLLOKOSA-N 0 3 298.390 2.811 20 30 CFEDHN C=CCOCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000339054363 393813710 /nfs/dbraw/zinc/81/37/10/393813710.db2.gz KIUKRJIRFLHTBI-OAHLLOKOSA-N 0 3 298.390 2.811 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000339065108 393815316 /nfs/dbraw/zinc/81/53/16/393815316.db2.gz HNHZAZKNYMCUAZ-GVXVVHGQSA-N 0 3 258.321 2.758 20 30 CFEDHN C=CCOCCN1CCC2(CC1)OCCc1ccsc12 ZINC000339078925 393816508 /nfs/dbraw/zinc/81/65/08/393816508.db2.gz RNLJUBCQUXEDNU-UHFFFAOYSA-N 0 3 293.432 2.815 20 30 CFEDHN CO[C@@H](c1ccccc1Cl)[C@H](C)NCCOCCC#N ZINC000339077959 393816805 /nfs/dbraw/zinc/81/68/05/393816805.db2.gz BCVCTHRDWCFAKQ-SWLSCSKDSA-N 0 3 296.798 2.936 20 30 CFEDHN CCCCCN(CC(=O)N(CC)CCC#N)C(C)C ZINC000339089814 393817940 /nfs/dbraw/zinc/81/79/40/393817940.db2.gz BYAGAESIZXDWCA-UHFFFAOYSA-N 0 3 267.417 2.649 20 30 CFEDHN CC[C@@H]1CN2CCC[C@@H]2CN1c1nccc(C#N)c1Cl ZINC000342848468 393871766 /nfs/dbraw/zinc/87/17/66/393871766.db2.gz LVZCSJNKWTWFPT-CHWSQXEVSA-N 0 3 290.798 2.670 20 30 CFEDHN COCC1(C#N)CCN(Cc2sccc2C)CC1 ZINC000342834594 393871792 /nfs/dbraw/zinc/87/17/92/393871792.db2.gz GDSKBGNXZJAFLX-UHFFFAOYSA-N 0 3 264.394 2.809 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc2c(c1C#N)CCC2 ZINC000425253398 393874100 /nfs/dbraw/zinc/87/41/00/393874100.db2.gz KRMFWPCNXXRSQR-UKRRQHHQSA-N 0 3 296.418 2.505 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000343012134 393877420 /nfs/dbraw/zinc/87/74/20/393877420.db2.gz WLCWBNVCIDPFSV-MELADBBJSA-N 0 3 267.417 2.513 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1CC1(C#N)CC1 ZINC000343318434 393883705 /nfs/dbraw/zinc/88/37/05/393883705.db2.gz XQLCRTQJGSWCJN-MRXNPFEDSA-N 0 3 283.419 2.887 20 30 CFEDHN C[C@H]1CN(C)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427020173 393891026 /nfs/dbraw/zinc/89/10/26/393891026.db2.gz OYFWMKJORKTRFA-ZDUSSCGKSA-N 0 3 296.336 2.693 20 30 CFEDHN Cc1ccc(CN2CCCC2)cc1NC(=O)[C@H](C)C#N ZINC000427497529 393892850 /nfs/dbraw/zinc/89/28/50/393892850.db2.gz QQBMEENUGPQOQM-CYBMUJFWSA-N 0 3 271.364 2.689 20 30 CFEDHN C=C(C)COc1cc(CNCC[C@@H](C)O)ccc1OC ZINC000114771590 393902832 /nfs/dbraw/zinc/90/28/32/393902832.db2.gz JJMVRJJRGLVXNS-CYBMUJFWSA-N 0 3 279.380 2.511 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000114729614 393902871 /nfs/dbraw/zinc/90/28/71/393902871.db2.gz DZLGAQKQMPEKLZ-LSDHHAIUSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104705693 393861473 /nfs/dbraw/zinc/86/14/73/393861473.db2.gz LNKXNUARWZJNQT-MRXNPFEDSA-N 0 3 276.355 2.559 20 30 CFEDHN CC(C)(C)NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000416399655 393914783 /nfs/dbraw/zinc/91/47/83/393914783.db2.gz PHKGCOFBWLVCCI-VIFPVBQESA-N 0 3 285.269 2.622 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000416401583 393915694 /nfs/dbraw/zinc/91/56/94/393915694.db2.gz UKNMUFJBVBVXIX-KCJUWKMLSA-N 0 3 297.280 2.622 20 30 CFEDHN C[C@@H](CN(C)[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346241203 393924527 /nfs/dbraw/zinc/92/45/27/393924527.db2.gz NTWGUQPTBNTDOH-LSDHHAIUSA-N 0 3 299.418 2.673 20 30 CFEDHN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C(C)C#N ZINC000346253923 393924563 /nfs/dbraw/zinc/92/45/63/393924563.db2.gz OESZDZKXEMUDPW-DZGCQCFKSA-N 0 3 258.365 2.934 20 30 CFEDHN CC(C#N)C(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000346273398 393925196 /nfs/dbraw/zinc/92/51/96/393925196.db2.gz DBNYXTVDTGBWSM-JYVUQVBGSA-N 0 3 278.396 2.732 20 30 CFEDHN COc1ccc(C[C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000346438572 393929796 /nfs/dbraw/zinc/92/97/96/393929796.db2.gz QZHUKVSXEXILFJ-DZGCQCFKSA-N 0 3 286.375 2.636 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000120100349 393930051 /nfs/dbraw/zinc/93/00/51/393930051.db2.gz OSXAGYKRAPJUJP-QGZVFWFLSA-N 0 3 269.392 2.811 20 30 CFEDHN C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)c1ccc(C#N)cc1F ZINC000346796618 393933148 /nfs/dbraw/zinc/93/31/48/393933148.db2.gz NFOZYVYAWQZQMJ-HWWQOWPSSA-N 0 3 275.371 2.831 20 30 CFEDHN C=CCCCN(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000121073870 393948352 /nfs/dbraw/zinc/94/83/52/393948352.db2.gz IEUDRVFMHJTVMF-LBPRGKRZSA-N 0 3 292.345 2.685 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346177764 393922789 /nfs/dbraw/zinc/92/27/89/393922789.db2.gz IWOAMDSZIYBSAC-LBPRGKRZSA-N 0 3 262.328 2.941 20 30 CFEDHN CCn1cncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418138348 394019057 /nfs/dbraw/zinc/01/90/57/394019057.db2.gz CSYNWAGEKLPNCO-KRWDZBQOSA-N 0 3 280.375 2.942 20 30 CFEDHN CC[C@H](O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352799600 394019412 /nfs/dbraw/zinc/01/94/12/394019412.db2.gz PBSQJTJFKOIYAG-LBPRGKRZSA-N 0 3 286.297 2.828 20 30 CFEDHN C[C@H](N[C@@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1 ZINC000417378059 393952587 /nfs/dbraw/zinc/95/25/87/393952587.db2.gz DSWYKFOQTHRWDB-SMDDNHRTSA-N 0 3 279.334 2.548 20 30 CFEDHN C[C@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(C#N)cc1F ZINC000417389577 393954789 /nfs/dbraw/zinc/95/47/89/393954789.db2.gz PRCRVUOUNQGZDK-CMPLNLGQSA-N 0 3 297.324 2.687 20 30 CFEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000271727556 394022728 /nfs/dbraw/zinc/02/27/28/394022728.db2.gz XYGOAJRIQJGYDS-DOTOQJQBSA-N 0 3 285.391 2.536 20 30 CFEDHN C[C@@H]1C[C@H]1N1CCN(Cc2cc(C#N)cs2)C[C@@H](C)C1 ZINC000430133299 393961004 /nfs/dbraw/zinc/96/10/04/393961004.db2.gz YQPBPMMJWLRLOD-XJKCOSOUSA-N 0 3 289.448 2.782 20 30 CFEDHN N#CCc1ccc(NC(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000122963556 393974035 /nfs/dbraw/zinc/97/40/35/393974035.db2.gz VRVBXURUNKUEAV-MRXNPFEDSA-N 0 3 283.375 2.566 20 30 CFEDHN COCCN(CCCSCC#N)Cc1ccc(C)o1 ZINC000125040705 394001511 /nfs/dbraw/zinc/00/15/11/394001511.db2.gz LNXDCCGWONJBRT-UHFFFAOYSA-N 0 3 282.409 2.683 20 30 CFEDHN CC(C)(C)OC(=O)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353266796 394026916 /nfs/dbraw/zinc/02/69/16/394026916.db2.gz OHTLKDCCJQVDAB-HNNXBMFYSA-N 0 3 286.375 2.867 20 30 CFEDHN C=C[C@@H]1CCCCN1CCOc1ccc(C#N)cc1OC ZINC000489443609 394041228 /nfs/dbraw/zinc/04/12/28/394041228.db2.gz CJTLYZUZAFXHIV-OAHLLOKOSA-N 0 3 286.375 2.986 20 30 CFEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000354964061 394053560 /nfs/dbraw/zinc/05/35/60/394053560.db2.gz HUDYJWXRAABPQK-XFBWCDHKSA-N 0 3 292.354 2.542 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000355345972 394063808 /nfs/dbraw/zinc/06/38/08/394063808.db2.gz SAIIXDRRBZJUFU-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN COC(=O)c1cc(C(C)C)ccc1NC(=O)C(C)C#N ZINC000355411737 394064563 /nfs/dbraw/zinc/06/45/63/394064563.db2.gz QAXAVQZTZCTWIV-JTQLQIEISA-N 0 3 274.320 2.695 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)C(C)(C)c2ccccc2)C1=O ZINC000281969161 394102636 /nfs/dbraw/zinc/10/26/36/394102636.db2.gz KZJGORXQYNSDNP-GDBMZVCRSA-N 0 3 286.419 2.729 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000279849192 394069168 /nfs/dbraw/zinc/06/91/68/394069168.db2.gz RYJMCBUEQOJUAG-WMLDXEAASA-N 0 3 275.367 2.803 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000492529939 394070266 /nfs/dbraw/zinc/07/02/66/394070266.db2.gz IFUJRERQJUWPOO-CQSZACIVSA-N 0 3 298.427 2.568 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@H]2CCCc3ccccc32)C1=O ZINC000281869197 394086537 /nfs/dbraw/zinc/08/65/37/394086537.db2.gz CDMFKSKIINMRGC-DLBZAZTESA-N 0 3 284.403 2.783 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492885682 394089736 /nfs/dbraw/zinc/08/97/36/394089736.db2.gz YJBABIRBWQCSAA-LBPRGKRZSA-N 0 3 254.374 2.504 20 30 CFEDHN CC#CCCN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281996776 394107951 /nfs/dbraw/zinc/10/79/51/394107951.db2.gz INIQZQHJHVJWRB-OAHLLOKOSA-N 0 3 271.408 2.812 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000130337196 394109152 /nfs/dbraw/zinc/10/91/52/394109152.db2.gz BKJUZODRLKPENH-HOTGVXAUSA-N 0 3 288.391 2.692 20 30 CFEDHN C=C(C)Cn1c(C(C)C)nnc1N1CCCN(CC)CC1 ZINC000358944753 394116401 /nfs/dbraw/zinc/11/64/01/394116401.db2.gz YJHRSVLXAIQSMY-UHFFFAOYSA-N 0 3 291.443 2.510 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000358935067 394116455 /nfs/dbraw/zinc/11/64/55/394116455.db2.gz OCBVRVUBVAMJRM-GXTWGEPZSA-N 0 3 271.364 2.857 20 30 CFEDHN Cc1c(C#N)c(N(C)C[C@H]2CCCN2C)nc2ccccc12 ZINC000420630951 394121287 /nfs/dbraw/zinc/12/12/87/394121287.db2.gz FXNGZCWGOJCWEZ-CQSZACIVSA-N 0 3 294.402 2.945 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3)[C@@H]2C)C1=O ZINC000282138846 394121863 /nfs/dbraw/zinc/12/18/63/394121863.db2.gz ZIWBHOGGSFFYOD-XIRDDKMYSA-N 0 3 284.403 2.651 20 30 CFEDHN C=CCC[C@H](NCc1ncnn1C(C)(C)C)C1CC1 ZINC000282809828 394128062 /nfs/dbraw/zinc/12/80/62/394128062.db2.gz RFHBXIVDQLLTQE-ZDUSSCGKSA-N 0 3 262.401 2.868 20 30 CFEDHN CN(C)[C@@H](CNc1cc(C#N)ccn1)c1ccc(F)cc1 ZINC000283661702 394132162 /nfs/dbraw/zinc/13/21/62/394132162.db2.gz WBSGMHGXSAUBSD-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN CC1(C)CC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000284065506 394135060 /nfs/dbraw/zinc/13/50/60/394135060.db2.gz AMSSIXOXICYJSG-HOTGVXAUSA-N 0 3 297.402 2.832 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cc(C)on1 ZINC000284910018 394139489 /nfs/dbraw/zinc/13/94/89/394139489.db2.gz CPAJXAGBQSERJB-BZPMIXESSA-N 0 3 250.342 2.615 20 30 CFEDHN C[C@H]1CCN(C(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000360310381 394148525 /nfs/dbraw/zinc/14/85/25/394148525.db2.gz LDTXKVNQJNZPLL-INIZCTEOSA-N 0 3 299.418 2.803 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](C)C2(CCCCC2)C1 ZINC000360627452 394155858 /nfs/dbraw/zinc/15/58/58/394155858.db2.gz KXWHINJQZYVELJ-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](CCO)CC2)c1F ZINC000421018816 394160242 /nfs/dbraw/zinc/16/02/42/394160242.db2.gz OZNBFWVQXRWBQB-ZDUSSCGKSA-N 0 3 276.355 2.682 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000285910703 394165352 /nfs/dbraw/zinc/16/53/52/394165352.db2.gz VXIAASQIOCUSCX-PBHICJAKSA-N 0 3 287.407 2.563 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000361153863 394166512 /nfs/dbraw/zinc/16/65/12/394166512.db2.gz KSJMHUCAHQLQSO-LSDHHAIUSA-N 0 3 274.408 2.776 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](CCO)CC2)c(F)c1 ZINC000421043282 394168061 /nfs/dbraw/zinc/16/80/61/394168061.db2.gz QOIBVDPEJWEIQP-CYBMUJFWSA-N 0 3 276.355 2.682 20 30 CFEDHN C[C@H](NCCCCC#N)c1cn(-c2ccccc2)nn1 ZINC000150923730 394255731 /nfs/dbraw/zinc/25/57/31/394255731.db2.gz ZNZBWMWTJAESAG-ZDUSSCGKSA-N 0 3 269.352 2.612 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)c(F)c2)CCCC[C@@H]1O ZINC000421365615 394202945 /nfs/dbraw/zinc/20/29/45/394202945.db2.gz QYSVMKVMAIPZHV-JKSUJKDBSA-N 0 3 276.355 2.728 20 30 CFEDHN CN1CC[C@@H](CNc2ccncc2C#N)[C@@H]1c1cccs1 ZINC000364372125 394206071 /nfs/dbraw/zinc/20/60/71/394206071.db2.gz QPBCEPLGTQFULV-BLLLJJGKSA-N 0 3 298.415 2.542 20 30 CFEDHN C[C@H]1CC[C@@H](CN2CCCN(c3ccc(C#N)cc3)CC2)O1 ZINC000365072157 394226477 /nfs/dbraw/zinc/22/64/77/394226477.db2.gz OPSNHFZBLQAGFR-YJBOKZPZSA-N 0 3 299.418 2.638 20 30 CFEDHN C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)(C)C ZINC000290181873 394227484 /nfs/dbraw/zinc/22/74/84/394227484.db2.gz NVJQMAOJTUDNKR-HNNXBMFYSA-N 0 3 277.364 2.547 20 30 CFEDHN C#C[C@H](NCc1cc(OC)c(OC)cc1O)C(C)(C)C ZINC000290181873 394227485 /nfs/dbraw/zinc/22/74/85/394227485.db2.gz NVJQMAOJTUDNKR-HNNXBMFYSA-N 0 3 277.364 2.547 20 30 CFEDHN CC[C@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000150743302 394251038 /nfs/dbraw/zinc/25/10/38/394251038.db2.gz GXYUEQOISWFVMU-HOCLYGCPSA-N 0 3 279.428 2.695 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)C2CCCCC2)cc1F ZINC000421325878 394188233 /nfs/dbraw/zinc/18/82/33/394188233.db2.gz MMUJOOOZOZLTAM-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)Cc1ccccc1 ZINC000421343738 394192567 /nfs/dbraw/zinc/19/25/67/394192567.db2.gz QMRCFIIKHSRILV-UGSOOPFHSA-N 0 3 298.361 2.779 20 30 CFEDHN CN(C)Cc1ccnc(NCc2ccc(C#N)c(F)c2)c1 ZINC000421347408 394193222 /nfs/dbraw/zinc/19/32/22/394193222.db2.gz UYOMQZUMMFCOIP-UHFFFAOYSA-N 0 3 284.338 2.766 20 30 CFEDHN OC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000293181734 394281537 /nfs/dbraw/zinc/28/15/37/394281537.db2.gz PQTLMMAZQOTMFG-HNNXBMFYSA-N 0 3 277.795 2.786 20 30 CFEDHN OC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000293181990 394281645 /nfs/dbraw/zinc/28/16/45/394281645.db2.gz PTFVBCVJSSCTJP-OAHLLOKOSA-N 0 3 277.795 2.786 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC12CCCCC2 ZINC000372278292 394309073 /nfs/dbraw/zinc/30/90/73/394309073.db2.gz PQNGWMAUJJMVQY-INIZCTEOSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@]1(F)CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451117600 394359440 /nfs/dbraw/zinc/35/94/40/394359440.db2.gz VIUSROOUGSKNPK-MRXNPFEDSA-N 0 3 289.354 2.711 20 30 CFEDHN C[C@]1(F)CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451117599 394359527 /nfs/dbraw/zinc/35/95/27/394359527.db2.gz VIUSROOUGSKNPK-INIZCTEOSA-N 0 3 289.354 2.711 20 30 CFEDHN COCC[C@@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000515068315 394369390 /nfs/dbraw/zinc/36/93/90/394369390.db2.gz FMYZMEDDLLZMES-AWEZNQCLSA-N 0 3 273.380 2.592 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000520955948 394380985 /nfs/dbraw/zinc/38/09/85/394380985.db2.gz ZDOBZQRMGUHZOK-FRRDWIJNSA-N 0 3 290.798 2.596 20 30 CFEDHN CCC[C@@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000271790179 135099500 /nfs/dbraw/zinc/09/95/00/135099500.db2.gz ITZYKVRFBGDLBB-CQSZACIVSA-N 0 3 272.396 2.511 20 30 CFEDHN CC(C)CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000275755150 135112075 /nfs/dbraw/zinc/11/20/75/135112075.db2.gz TVAIJMRPRVQQAP-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccccc1SC ZINC000685041288 542889644 /nfs/dbraw/zinc/88/96/44/542889644.db2.gz LOJGZUBKBKKNGD-WCQYABFASA-N 0 3 251.395 2.996 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000527804508 394410122 /nfs/dbraw/zinc/41/01/22/394410122.db2.gz QKGXUKLEDLQCQN-KIGUWFBYSA-N 0 3 262.328 2.599 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000456116614 394438429 /nfs/dbraw/zinc/43/84/29/394438429.db2.gz NCGFJECPZRNRGS-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN N#Cc1cccc(NC(=O)C2CN(C3CCCCC3)C2)c1 ZINC000457378447 394443705 /nfs/dbraw/zinc/44/37/05/394443705.db2.gz FCKZEXWUXGBLBD-UHFFFAOYSA-N 0 3 283.375 2.761 20 30 CFEDHN C[C@@H](NC[C@@H](O)COc1ccccc1)c1cccc(C#N)c1 ZINC000540596912 394649955 /nfs/dbraw/zinc/64/99/55/394649955.db2.gz HQYAYTVZPPSUPF-RHSMWYFYSA-N 0 3 296.370 2.649 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000543452242 394730288 /nfs/dbraw/zinc/73/02/88/394730288.db2.gz PMFQMZAZAXPEBK-ZDUSSCGKSA-N 0 3 298.333 2.920 20 30 CFEDHN C[C@@H](NCCN1CC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000543763038 394742699 /nfs/dbraw/zinc/74/26/99/394742699.db2.gz XRKYLXCDUJGROT-QWHCGFSZSA-N 0 3 275.371 2.690 20 30 CFEDHN N#Cc1ccc(CN(CCCN2CCCC2=O)C2CC2)cc1 ZINC000544112170 394751651 /nfs/dbraw/zinc/75/16/51/394751651.db2.gz SFPPSHSKWQYCCP-UHFFFAOYSA-N 0 3 297.402 2.535 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2ccncc2)C1 ZINC000555879020 394985643 /nfs/dbraw/zinc/98/56/43/394985643.db2.gz UKPIEWMTHUVPJA-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329967352 533673249 /nfs/dbraw/zinc/67/32/49/533673249.db2.gz WDJPDSZWLJMCHW-SNVBAGLBSA-N 0 3 297.424 2.664 20 30 CFEDHN C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329967352 533673259 /nfs/dbraw/zinc/67/32/59/533673259.db2.gz WDJPDSZWLJMCHW-SNVBAGLBSA-N 0 3 297.424 2.664 20 30 CFEDHN COCC#CCN[C@H](CCCC#N)c1ccccc1 ZINC000590122475 395102781 /nfs/dbraw/zinc/10/27/81/395102781.db2.gz NVNSMNRBRVOXCQ-MRXNPFEDSA-N 0 3 256.349 2.661 20 30 CFEDHN Cc1ccc(Cl)c(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594427218 395103378 /nfs/dbraw/zinc/10/33/78/395103378.db2.gz HHTSPNFSADHKAC-GFCCVEGCSA-N 0 3 279.771 2.998 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000648997500 395390544 /nfs/dbraw/zinc/39/05/44/395390544.db2.gz QYNIXPMNMHFLKU-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCOc1ccccc1Cl ZINC000649222743 395454445 /nfs/dbraw/zinc/45/44/45/395454445.db2.gz UVCQKPFVVTVQAJ-ZDUSSCGKSA-N 0 3 269.772 2.588 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(COc2ccccc2)CC1 ZINC000649255344 395462398 /nfs/dbraw/zinc/46/23/98/395462398.db2.gz TWKITGUWADNMFP-QGZVFWFLSA-N 0 3 275.392 2.714 20 30 CFEDHN C=CCCCCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000649650463 395545485 /nfs/dbraw/zinc/54/54/85/395545485.db2.gz BZHULQWSXNWEKQ-QGZVFWFLSA-N 0 3 286.419 2.776 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000649406461 395487501 /nfs/dbraw/zinc/48/75/01/395487501.db2.gz SGAFPPNATHWFLX-QGZVFWFLSA-N 0 3 293.382 2.744 20 30 CFEDHN C=CCOCCN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649661537 395548206 /nfs/dbraw/zinc/54/82/06/395548206.db2.gz CQSXLZYFLCBFNJ-INIZCTEOSA-N 0 3 263.356 2.992 20 30 CFEDHN C=C(C)CCN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649827227 395577375 /nfs/dbraw/zinc/57/73/75/395577375.db2.gz KOXKPNIHLIWONS-KRWDZBQOSA-N 0 3 258.409 2.811 20 30 CFEDHN C[C@H](CCO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000649868116 395583245 /nfs/dbraw/zinc/58/32/45/395583245.db2.gz ZQKPIDQGLUGEJG-GFCCVEGCSA-N 0 3 285.309 2.760 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000380002594 543069666 /nfs/dbraw/zinc/06/96/66/543069666.db2.gz AYKDZBYBHPPSKC-ZDUSSCGKSA-N 0 3 277.364 2.701 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2cc(OC)ccc21 ZINC000381666301 543089510 /nfs/dbraw/zinc/08/95/10/543089510.db2.gz ORQWHMUJYQSUGM-INIZCTEOSA-N 0 3 261.365 2.865 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000397396513 397557436 /nfs/dbraw/zinc/55/74/36/397557436.db2.gz PKTDDNWNYCFTHQ-AWEZNQCLSA-N 0 3 264.756 2.726 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1c(C)cccc1C ZINC000046342188 397581312 /nfs/dbraw/zinc/58/13/12/397581312.db2.gz ZIVGTYYWURTHKB-MRXNPFEDSA-N 0 3 277.408 2.941 20 30 CFEDHN CC(C)CCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000048349327 397589577 /nfs/dbraw/zinc/58/95/77/397589577.db2.gz FBZBWYIEJRYXCB-ZDUSSCGKSA-N 0 3 273.380 2.863 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CCCCC1 ZINC000650511685 397817819 /nfs/dbraw/zinc/81/78/19/397817819.db2.gz DQALUFJNZVCFSA-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000663451447 413212243 /nfs/dbraw/zinc/21/22/43/413212243.db2.gz RGGAMXPITFPGSN-ZDUSSCGKSA-N 0 3 293.436 2.760 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000356267428 155203900 /nfs/dbraw/zinc/20/39/00/155203900.db2.gz BDCIDRXDCGEBPQ-CZUORRHYSA-N 0 3 297.402 2.566 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1sc(C)nc1C ZINC000411637060 413234350 /nfs/dbraw/zinc/23/43/50/413234350.db2.gz FIFXGGNFGYBMEY-UHFFFAOYSA-N 0 3 267.442 2.700 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)O ZINC000356346321 155234924 /nfs/dbraw/zinc/23/49/24/155234924.db2.gz PUQDSMJXBCMQDO-JTQLQIEISA-N 0 3 286.297 2.780 20 30 CFEDHN C=C(C)[C@@H](NC[C@@]1(O)CCCOC1)c1ccc(F)c(F)c1 ZINC000660311693 413238103 /nfs/dbraw/zinc/23/81/03/413238103.db2.gz JEUZVVPDFMYLAF-CVEARBPZSA-N 0 3 297.345 2.713 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@H]2CCCCO2)ccc1C#N ZINC000356740241 155347258 /nfs/dbraw/zinc/34/72/58/155347258.db2.gz YTPKCIOZAJUAPY-SWLSCSKDSA-N 0 3 274.364 2.614 20 30 CFEDHN COc1cc(CN[C@H](C)[C@H]2CCCCO2)ccc1C#N ZINC000356740238 155347337 /nfs/dbraw/zinc/34/73/37/155347337.db2.gz YTPKCIOZAJUAPY-IUODEOHRSA-N 0 3 274.364 2.614 20 30 CFEDHN C[C@H](CNC(=O)c1cccc(C#N)c1)N1CCCC[C@@H]1C ZINC000343313055 154173604 /nfs/dbraw/zinc/17/36/04/154173604.db2.gz HIDISGRWZGRSGO-UONOGXRCSA-N 0 3 285.391 2.551 20 30 CFEDHN Cc1cc(CN(C)C[C@@H]2CCCCO2)ccc1C#N ZINC000362924187 156115981 /nfs/dbraw/zinc/11/59/81/156115981.db2.gz NUSJLSFABYFCNS-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CCN(CC[C@H]1CCNC1=O)Cc1ccc(Cl)s1 ZINC000653479940 413321957 /nfs/dbraw/zinc/32/19/57/413321957.db2.gz JVCVNMDHGYWAEM-LLVKDONJSA-N 0 3 298.839 2.916 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CC[C@@H](C4CC4)C3)o2)cc1 ZINC000367031940 156267265 /nfs/dbraw/zinc/26/72/65/156267265.db2.gz XTPXIGHTFILWNC-OAHLLOKOSA-N 0 3 294.358 2.840 20 30 CFEDHN Cc1ccc(N2CC[C@@H](NCc3cc(C#N)n(C)c3)C2)cc1 ZINC000373616004 157013207 /nfs/dbraw/zinc/01/32/07/157013207.db2.gz OGRDZWZHSRHDAS-MRXNPFEDSA-N 0 3 294.402 2.574 20 30 CFEDHN C=CCCn1cc(CN2CCC[C@@H]2C2CCC2)nn1 ZINC000653541133 413355825 /nfs/dbraw/zinc/35/58/25/413355825.db2.gz FJRPSTSVMREFDD-OAHLLOKOSA-N 0 3 260.385 2.619 20 30 CFEDHN C[C@@H](NCCC(C)(C)O)c1ccc(C#N)cc1F ZINC000344338954 162015931 /nfs/dbraw/zinc/01/59/31/162015931.db2.gz RLPZOLCPBWYNOG-SNVBAGLBSA-N 0 3 250.317 2.509 20 30 CFEDHN COCCC(C)(C)NCc1ccc(C#N)cc1F ZINC000344702304 162103120 /nfs/dbraw/zinc/10/31/20/162103120.db2.gz SZRRUKMVYNVJFR-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)c2ccccc2)c(F)c1 ZINC000344783238 162122140 /nfs/dbraw/zinc/12/21/40/162122140.db2.gz ZIPYIMAVKHZDLR-MRXNPFEDSA-N 0 3 284.334 2.563 20 30 CFEDHN COC[C@H]1CCCCN(Cc2cc(C#N)cs2)C1 ZINC000344896802 162145286 /nfs/dbraw/zinc/14/52/86/162145286.db2.gz SXVYNNZPUUPROW-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN CCN1C[C@@H](C)N(c2ccc(F)cc2C#N)C[C@@H]1C ZINC000345165571 162192771 /nfs/dbraw/zinc/19/27/71/162192771.db2.gz AVNRNOBHKDEVMO-NWDGAFQWSA-N 0 3 261.344 2.616 20 30 CFEDHN C[C@@H](NC[C@@]1(C)CCCO1)c1ccc(C#N)c(F)c1 ZINC000346140730 162329791 /nfs/dbraw/zinc/32/97/91/162329791.db2.gz VUFFAXUSKHCXEY-IAQYHMDHSA-N 0 3 262.328 2.917 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000346195589 162349152 /nfs/dbraw/zinc/34/91/52/162349152.db2.gz RZBMXZLCJAQKGS-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN C[C@@H]1CC[C@H](N(CCO)Cc2cccc(C#N)c2F)C1 ZINC000351633465 163161555 /nfs/dbraw/zinc/16/15/55/163161555.db2.gz ZDQSEDXLBMLSOV-DOMZBBRYSA-N 0 3 276.355 2.680 20 30 CFEDHN COCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000351761894 163190841 /nfs/dbraw/zinc/19/08/41/163190841.db2.gz YAQQGBDZWFVDGR-NSHDSACASA-N 0 3 250.317 2.775 20 30 CFEDHN CCC[C@]1(NCc2ccc(C#N)c(F)c2)CCOC1 ZINC000352837943 163248354 /nfs/dbraw/zinc/24/83/54/163248354.db2.gz IPGYVGFUDUISKQ-HNNXBMFYSA-N 0 3 262.328 2.746 20 30 CFEDHN N#Cc1cccc(CN(C[C@H]2CCOC2)C2CC2)c1F ZINC000352884649 163261205 /nfs/dbraw/zinc/26/12/05/163261205.db2.gz MMRZFBVUUHDBQQ-GFCCVEGCSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(CNCC2(C(F)(F)F)CC2)cc1 ZINC000353046831 163297137 /nfs/dbraw/zinc/29/71/37/163297137.db2.gz LIPKNNPHZJNTQF-UHFFFAOYSA-N 0 3 254.255 2.990 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000353524088 163384585 /nfs/dbraw/zinc/38/45/85/163384585.db2.gz RHTLSMITPBUPJE-UHFFFAOYSA-N 0 3 292.358 2.551 20 30 CFEDHN C=CCCCN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284666332 196107872 /nfs/dbraw/zinc/10/78/72/196107872.db2.gz GAYPIYRTCZUIIR-KRWDZBQOSA-N 0 3 258.409 2.811 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N[C@H](C)CC ZINC000284966930 196166788 /nfs/dbraw/zinc/16/67/88/196166788.db2.gz CUGISOFIZDGFEY-HLLBOEOZSA-N 0 3 286.419 2.514 20 30 CFEDHN C=CCCn1cc(CNC2(C3CCC3)CCC2)nn1 ZINC000653760004 413486250 /nfs/dbraw/zinc/48/62/50/413486250.db2.gz AXHFWKFZXWVEED-UHFFFAOYSA-N 0 3 260.385 2.667 20 30 CFEDHN C=CCCn1cc(CN[C@@H](CCC)C2CCC2)nn1 ZINC000653761600 413486757 /nfs/dbraw/zinc/48/67/57/413486757.db2.gz WZMQRXKAWUUKIP-HNNXBMFYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CC2(C)C)CC1 ZINC000664015813 413515897 /nfs/dbraw/zinc/51/58/97/413515897.db2.gz KCVPEPHTBWYKMA-INIZCTEOSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](CC)C2)nn1 ZINC000657373282 413517643 /nfs/dbraw/zinc/51/76/43/413517643.db2.gz RLTUSBDBTLUQPP-UONOGXRCSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2(CC=C)CCCC2)CC1 ZINC000664019175 413518093 /nfs/dbraw/zinc/51/80/93/413518093.db2.gz IBDJWWQJROWEBZ-UHFFFAOYSA-N 0 3 291.439 2.825 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC1CCN(CC=C)CC1 ZINC000664021641 413520888 /nfs/dbraw/zinc/52/08/88/413520888.db2.gz YLSPXJQUSHDFAR-UHFFFAOYSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H]3CCC[C@H]3C2)nn1 ZINC000657376936 413521886 /nfs/dbraw/zinc/52/18/86/413521886.db2.gz QNSVYWPKSSVTII-SOUVJXGZSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CCCn1cc(CNCC2(CC(C)C)CC2)nn1 ZINC000657393175 413549983 /nfs/dbraw/zinc/54/99/83/413549983.db2.gz OHKYQJIRWIRCDQ-UHFFFAOYSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCCn1cc(CNCC2(CC)CCCC2)nn1 ZINC000657397520 413551597 /nfs/dbraw/zinc/55/15/97/413551597.db2.gz XZZTTXNHEYBUID-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000660826845 413601658 /nfs/dbraw/zinc/60/16/58/413601658.db2.gz DVQCIYXXGHHOID-HRCADAONSA-N 0 3 293.455 2.855 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2ncccc2N(C)C)C1 ZINC000651813300 413656709 /nfs/dbraw/zinc/65/67/09/413656709.db2.gz DVACHBYUWWLDGA-ZIAGYGMSSA-N 0 3 259.397 2.982 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(O[C@H](C)COC)cc1 ZINC000657482309 413669873 /nfs/dbraw/zinc/66/98/73/413669873.db2.gz UBDNLUHKXLFESF-XYPHTWIQSA-N 0 3 291.391 2.533 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2cccc(N(C)C)n2)C1 ZINC000651742302 413606501 /nfs/dbraw/zinc/60/65/01/413606501.db2.gz KITDECIOCZKNMK-UONOGXRCSA-N 0 3 259.397 2.982 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCCC(C)(C)C2)nn1 ZINC000657441999 413610786 /nfs/dbraw/zinc/61/07/86/413610786.db2.gz LSIVOKDJOUNXAN-CYBMUJFWSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000660841600 413614230 /nfs/dbraw/zinc/61/42/30/413614230.db2.gz QLQNRJWCMAKFIW-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NCCN(C)CCCC)C1 ZINC000660850222 413615853 /nfs/dbraw/zinc/61/58/53/413615853.db2.gz PSEMFKXAWIZUMG-HNNXBMFYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000660858006 413618957 /nfs/dbraw/zinc/61/89/57/413618957.db2.gz AMAAJMCWTSLZCU-JJXSEGSLSA-N 0 3 293.455 2.903 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651761217 413622936 /nfs/dbraw/zinc/62/29/36/413622936.db2.gz IYTUQAUFAQORNA-PWSUYJOCSA-N 0 3 269.747 2.993 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(F)c(OC)cc1OC ZINC000651835367 413677090 /nfs/dbraw/zinc/67/70/90/413677090.db2.gz JHNDFPWUIQKHHY-FZMZJTMJSA-N 0 3 295.354 2.524 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CC3CCC2CC3)nn1 ZINC000657497908 413688061 /nfs/dbraw/zinc/68/80/61/413688061.db2.gz GJYKKHTYEVUAEP-YMAMQOFZSA-N 0 3 274.412 2.770 20 30 CFEDHN C=CCOc1cccc(CN2CCC(C3(O)CC3)CC2)c1 ZINC000651878618 413694561 /nfs/dbraw/zinc/69/45/61/413694561.db2.gz WLZDLYRYOXLZHP-UHFFFAOYSA-N 0 3 287.403 2.988 20 30 CFEDHN C=CCOc1ccc(CN2CCC(C3(O)CC3)CC2)cc1 ZINC000651879615 413695783 /nfs/dbraw/zinc/69/57/83/413695783.db2.gz ZYMJHRNYJMEEHO-UHFFFAOYSA-N 0 3 287.403 2.988 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCCC1 ZINC000664368484 413714512 /nfs/dbraw/zinc/71/45/12/413714512.db2.gz SNHAVGVKGQDFAR-KBPBESRZSA-N 0 3 291.439 2.800 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661036900 413719065 /nfs/dbraw/zinc/71/90/65/413719065.db2.gz ZAOMRFUUCPGQQD-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCC1(NCc2cccc(OCC)n2)CCOCC1 ZINC000657633246 413807266 /nfs/dbraw/zinc/80/72/66/413807266.db2.gz KTMGMUYSRDSUAQ-UHFFFAOYSA-N 0 3 276.380 2.695 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000654316859 413807434 /nfs/dbraw/zinc/80/74/34/413807434.db2.gz DMVZPMMDNWTCQZ-HUUCEWRRSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000654316858 413810351 /nfs/dbraw/zinc/81/03/51/413810351.db2.gz DMVZPMMDNWTCQZ-GJZGRUSLSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCCC1(CNCc2cnnn2CC)CCCC1 ZINC000657567302 413753479 /nfs/dbraw/zinc/75/34/79/413753479.db2.gz OUHXVMGHFJKHGD-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=CCOc1ccc(CNC/C=C\CO)cc1Cl ZINC000657591812 413779284 /nfs/dbraw/zinc/77/92/84/413779284.db2.gz AXALMNXNEGFPDO-ARJAWSKDSA-N 0 3 267.756 2.543 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2C[C@H](O)C23CCC3)c1 ZINC000657704830 413873005 /nfs/dbraw/zinc/87/30/05/413873005.db2.gz VNZWHPHSONYSQS-HOTGVXAUSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000657704832 413873215 /nfs/dbraw/zinc/87/32/15/413873215.db2.gz VNZWHPHSONYSQS-JKSUJKDBSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCN1CC[C@@H](N2CCc3ccccc3C(C)(C)C2)C1=O ZINC000661212344 413824425 /nfs/dbraw/zinc/82/44/25/413824425.db2.gz APFDCDJWUPOGLG-QGZVFWFLSA-N 0 3 298.430 2.609 20 30 CFEDHN C=CCOCCCNCc1cnn(Cc2ccccc2)c1 ZINC000657658047 413827554 /nfs/dbraw/zinc/82/75/54/413827554.db2.gz KFJPIBPUNSXPBT-UHFFFAOYSA-N 0 3 285.391 2.614 20 30 CFEDHN C=CCOCCCNCc1nccn1Cc1ccccc1 ZINC000657658189 413827837 /nfs/dbraw/zinc/82/78/37/413827837.db2.gz OQDLATYXUPVOAB-UHFFFAOYSA-N 0 3 285.391 2.614 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCCC2(CCCC2)CC1 ZINC000661228609 413829410 /nfs/dbraw/zinc/82/94/10/413829410.db2.gz SCIFJBNXCPCJNS-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661232307 413832720 /nfs/dbraw/zinc/83/27/20/413832720.db2.gz CXPJFBVLQHPLKI-CYBMUJFWSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN(C[C@H](Cc1ccccc1)OC)[C@H](C)COC ZINC000661241400 413841886 /nfs/dbraw/zinc/84/18/86/413841886.db2.gz XJSFGFXOYBOQET-WBVHZDCISA-N 0 3 277.408 2.767 20 30 CFEDHN C=CCN(CCN(C)Cc1ccccc1)[C@@H](C)COC ZINC000661240626 413842310 /nfs/dbraw/zinc/84/23/10/413842310.db2.gz PDVSTDNORVUJNZ-INIZCTEOSA-N 0 3 276.424 2.641 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000661378487 413936210 /nfs/dbraw/zinc/93/62/10/413936210.db2.gz HLISBGAEDCHOKB-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)CC)C1 ZINC000661379177 413937514 /nfs/dbraw/zinc/93/75/14/413937514.db2.gz VJQBPGLTRUYIEQ-MGPQQGTHSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCCCC)C1 ZINC000661378288 413938180 /nfs/dbraw/zinc/93/81/80/413938180.db2.gz BQLWOEASHCEJHH-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCN(CCCCCS(=O)(=O)CC)C1 ZINC000661385817 413941266 /nfs/dbraw/zinc/94/12/66/413941266.db2.gz PZJUISADLQKKSA-OAHLLOKOSA-N 0 3 287.469 2.880 20 30 CFEDHN C=CCCn1cc(CNC(C)(C2CC2)C2CC2)nn1 ZINC000657755928 413909650 /nfs/dbraw/zinc/90/96/50/413909650.db2.gz OMCUWPVQJYMITH-UHFFFAOYSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN2CCC1CC2 ZINC000661416756 413966092 /nfs/dbraw/zinc/96/60/92/413966092.db2.gz DDDBUXPQSMQZQQ-GDBMZVCRSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000664867998 413986102 /nfs/dbraw/zinc/98/61/02/413986102.db2.gz VGABEZVZQNGTPC-UKRRQHHQSA-N 0 3 275.396 2.553 20 30 CFEDHN C=CC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654728896 413986236 /nfs/dbraw/zinc/98/62/36/413986236.db2.gz MXKSHHLJWKKCNE-HOTGVXAUSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000664869230 413987959 /nfs/dbraw/zinc/98/79/59/413987959.db2.gz LUBVKTULLSZHQQ-ZBFHGGJFSA-N 0 3 289.423 2.862 20 30 CFEDHN CCC[C@]1(NCc2ccc(C#N)c(OC)c2)CCOC1 ZINC000285667330 196360414 /nfs/dbraw/zinc/36/04/14/196360414.db2.gz ZOSJMDPCRHDKGZ-INIZCTEOSA-N 0 3 274.364 2.616 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnc2n1CCCC2 ZINC000657975035 414081747 /nfs/dbraw/zinc/08/17/47/414081747.db2.gz WGBGMNFFVYJMOD-KBPBESRZSA-N 0 3 274.412 2.839 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661705982 414161688 /nfs/dbraw/zinc/16/16/88/414161688.db2.gz HCHXALSBBMAZTQ-DLBZAZTESA-N 0 3 275.392 2.596 20 30 CFEDHN C=CCOCCN1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661710934 414165615 /nfs/dbraw/zinc/16/56/15/414165615.db2.gz DOEVYWHJXSEUET-KRWDZBQOSA-N 0 3 275.392 2.861 20 30 CFEDHN C=CCN(CC(=O)NCc1ccccc1C)C(C)(C)C ZINC000661755666 414194463 /nfs/dbraw/zinc/19/44/63/414194463.db2.gz XJAFNIKUCGOBJZ-UHFFFAOYSA-N 0 3 274.408 2.898 20 30 CFEDHN C=CCN(Cc1cccc(C(=O)NC)c1)C(C)(C)C ZINC000661756666 414195230 /nfs/dbraw/zinc/19/52/30/414195230.db2.gz VPLYJAQVSIWPTB-UHFFFAOYSA-N 0 3 260.381 2.833 20 30 CFEDHN C=CCN(CC(=O)N(C)Cc1cccs1)C(C)(C)C ZINC000661754983 414195789 /nfs/dbraw/zinc/19/57/89/414195789.db2.gz FDOHTTIEJDLEHX-UHFFFAOYSA-N 0 3 280.437 2.993 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2Cc3ccccc3N(C)C2=O)C1 ZINC000658105385 414206470 /nfs/dbraw/zinc/20/64/70/414206470.db2.gz HFROAIRXXGNNTD-VNQPRFMTSA-N 0 3 284.403 2.909 20 30 CFEDHN C=CCC1(NCC(=O)N(C)c2nccs2)CCCC1 ZINC000661849431 414259681 /nfs/dbraw/zinc/25/96/81/414259681.db2.gz UZIHLXFWGMEMIN-UHFFFAOYSA-N 0 3 279.409 2.584 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000658205586 414280761 /nfs/dbraw/zinc/28/07/61/414280761.db2.gz JCCHDQDEXJRLLT-NSHDSACASA-N 0 3 284.787 2.987 20 30 CFEDHN C=CCOCCCN[C@H](CC)c1ccc(F)cn1 ZINC000658209600 414285073 /nfs/dbraw/zinc/28/50/73/414285073.db2.gz HUXULSGMSOJLHG-CYBMUJFWSA-N 0 3 252.333 2.854 20 30 CFEDHN C=CCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000659023200 414437016 /nfs/dbraw/zinc/43/70/16/414437016.db2.gz XDLXKAIOXMQSRX-UHFFFAOYSA-N 0 3 287.285 2.862 20 30 CFEDHN C=C[C@H](CO)NCCCOc1ccc2ccccc2c1 ZINC000662165829 414441710 /nfs/dbraw/zinc/44/17/10/414441710.db2.gz QSFMOVPBOOLRST-MRXNPFEDSA-N 0 3 271.360 2.745 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000662079480 414398494 /nfs/dbraw/zinc/39/84/94/414398494.db2.gz GMJWKQPJQPWVEE-JONQDZQNSA-N 0 3 276.424 2.864 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)C[C@H]1NCc2ccccc21 ZINC000659267749 414484587 /nfs/dbraw/zinc/48/45/87/414484587.db2.gz PNKXLZLGFCZOCL-CYBMUJFWSA-N 0 3 298.308 2.798 20 30 CFEDHN C=CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000659265314 414485557 /nfs/dbraw/zinc/48/55/57/414485557.db2.gz HUHHECFIJOBDAC-MRXNPFEDSA-N 0 3 270.376 2.646 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000659858229 414590023 /nfs/dbraw/zinc/59/00/23/414590023.db2.gz VXVJVXNCIFTLCN-QZTJIDSGSA-N 0 3 289.419 2.769 20 30 CFEDHN C=CCOc1cccc(CN(C[C@@H](C)O)C2CC2)c1 ZINC000656280781 414562231 /nfs/dbraw/zinc/56/22/31/414562231.db2.gz KAIBDWMRKLERCU-CYBMUJFWSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000659824023 414571016 /nfs/dbraw/zinc/57/10/16/414571016.db2.gz YCJPJSVCLFIPEG-IAGOWNOFSA-N 0 3 275.392 2.726 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccccc1OC ZINC000076738227 177077523 /nfs/dbraw/zinc/07/75/23/177077523.db2.gz HCHWQSXEGRDXDF-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000347108824 226053339 /nfs/dbraw/zinc/05/33/39/226053339.db2.gz PHVZDGSJBQPXGU-UBHAPETDSA-N 0 3 282.265 2.837 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000347030989 226019849 /nfs/dbraw/zinc/01/98/49/226019849.db2.gz DBYKNOHNKIEEDP-NXEZZACHSA-N 0 3 295.180 2.656 20 30 CFEDHN Cn1nccc1[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000367007172 226376215 /nfs/dbraw/zinc/37/62/15/226376215.db2.gz NCUOYFQYZATLNG-ZDUSSCGKSA-N 0 3 260.385 2.539 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000171741094 335076830 /nfs/dbraw/zinc/07/68/30/335076830.db2.gz VLGJGUSRAJMOOA-GOEBONIOSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000171741091 335076859 /nfs/dbraw/zinc/07/68/59/335076859.db2.gz VLGJGUSRAJMOOA-GDBMZVCRSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C#N)C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000336485229 227056974 /nfs/dbraw/zinc/05/69/74/227056974.db2.gz BFMFIBROGBUGLW-GFCCVEGCSA-N 0 3 272.323 2.991 20 30 CFEDHN N#CC1(c2ccccn2)CCN(C2CCCC2)CC1 ZINC000336529807 227096135 /nfs/dbraw/zinc/09/61/35/227096135.db2.gz SBJFDJCDSUTXLD-UHFFFAOYSA-N 0 3 255.365 2.881 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000352605240 227103147 /nfs/dbraw/zinc/10/31/47/227103147.db2.gz JZTUGBRNIAIRBJ-SECBINFHSA-N 0 3 252.264 2.574 20 30 CFEDHN C=CCN1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000171870873 335083387 /nfs/dbraw/zinc/08/33/87/335083387.db2.gz DCEYELFXJIFDQB-RMKNXTFCSA-N 0 3 299.418 2.649 20 30 CFEDHN C[C@H](F)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367136883 227306907 /nfs/dbraw/zinc/30/69/07/227306907.db2.gz CWQNLVAFOQYRDN-ZDUSSCGKSA-N 0 3 261.344 2.687 20 30 CFEDHN Cc1nc(CCNC(=O)CN2[C@H](C)CC[C@@H]2C)c(C)o1 ZINC000329106506 227299864 /nfs/dbraw/zinc/29/98/64/227299864.db2.gz HMTHUZIDVUANMC-PHIMTYICSA-N 0 3 279.384 2.663 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000334140664 227331878 /nfs/dbraw/zinc/33/18/78/227331878.db2.gz HRHRAPIDIFKRIL-GFCCVEGCSA-N 0 3 274.339 2.766 20 30 CFEDHN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000330021527 228018989 /nfs/dbraw/zinc/01/89/89/228018989.db2.gz XYULWXJWTGMJHD-ZWNOBZJWSA-N 0 3 291.395 2.723 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2C2CC2)cc1F ZINC000330227254 228072996 /nfs/dbraw/zinc/07/29/96/228072996.db2.gz PDDBCEWADZYWDZ-GOEBONIOSA-N 0 3 292.354 2.879 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCSc2ccc(F)cc21 ZINC000186715534 260008749 /nfs/dbraw/zinc/00/87/49/260008749.db2.gz LCWDLQCCBUMKSK-WCQYABFASA-N 0 3 267.369 2.889 20 30 CFEDHN C=C(C)[C@H](NCCC1OCCO1)c1ccc(F)c(F)c1 ZINC000187763780 260056986 /nfs/dbraw/zinc/05/69/86/260056986.db2.gz CLQGZXRZNAZZKF-HNNXBMFYSA-N 0 3 283.318 2.935 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@]1(N)C[C@H](OCC)C1(C)C ZINC000187807441 260059962 /nfs/dbraw/zinc/05/99/62/260059962.db2.gz MNGWXDXXZCBQCB-YOEHRIQHSA-N 0 3 296.455 2.724 20 30 CFEDHN C=CCCCN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000117882055 260117402 /nfs/dbraw/zinc/11/74/02/260117402.db2.gz UYPYUUZLTOCOFZ-UHFFFAOYSA-N 0 3 299.418 2.692 20 30 CFEDHN N#CC1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000079841052 260177324 /nfs/dbraw/zinc/17/73/24/260177324.db2.gz KUXOZWDYLDZZJH-UHFFFAOYSA-N 0 3 251.333 2.970 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(Cl)sc1Cl ZINC000312809462 260206215 /nfs/dbraw/zinc/20/62/15/260206215.db2.gz XERJBXHAMBCGAY-YFKPBYRVSA-N 0 3 263.149 2.831 20 30 CFEDHN C=CCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000521052353 260311099 /nfs/dbraw/zinc/31/10/99/260311099.db2.gz SFLILDCPMNLJCY-QGZVFWFLSA-N 0 3 272.392 2.733 20 30 CFEDHN C=CCCCC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000359066348 260721076 /nfs/dbraw/zinc/72/10/76/260721076.db2.gz CQZWQHXFDHXCRZ-KGLIPLIRSA-N 0 3 252.402 2.722 20 30 CFEDHN CC(C(=O)N(C)c1cccc(C#N)c1)C(F)(F)F ZINC000525710955 261059726 /nfs/dbraw/zinc/05/97/26/261059726.db2.gz GZOSUXLKJKLQPO-MRVPVSSYSA-N 0 3 256.227 2.719 20 30 CFEDHN N=C(NCC(F)F)Nc1ccccc1OC(F)(F)F ZINC000160718905 261223963 /nfs/dbraw/zinc/22/39/63/261223963.db2.gz DXYXJGUMYFLREK-UHFFFAOYSA-N 0 3 283.200 2.577 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](C)c1oc2ccccc2c1C ZINC000491166196 261356261 /nfs/dbraw/zinc/35/62/61/261356261.db2.gz PTIILPOKCMCPOR-ZDUSSCGKSA-N 0 3 284.359 2.531 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCCC[C@H]2C1 ZINC000177576629 261363119 /nfs/dbraw/zinc/36/31/19/261363119.db2.gz QKSXXWICMOPXRZ-GJZGRUSLSA-N 0 3 264.413 2.533 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(C)cc1-c1ccnn1C ZINC000491201041 261368084 /nfs/dbraw/zinc/36/80/84/261368084.db2.gz FEKZPCWZOXSISW-CQSZACIVSA-N 0 3 267.376 2.849 20 30 CFEDHN C#C[C@@H](NCCC(=O)Nc1cccc(F)c1C)C(C)C ZINC000491484766 261635705 /nfs/dbraw/zinc/63/57/05/261635705.db2.gz KTWSPNCZEBLLDE-CQSZACIVSA-N 0 3 276.355 2.710 20 30 CFEDHN CC[C@@H](C)[C@@H](C)NCC(=O)N(CCC#N)c1ccccc1 ZINC000183056553 261961031 /nfs/dbraw/zinc/96/10/31/261961031.db2.gz QGARZUJQBSWRLI-HUUCEWRRSA-N 0 3 287.407 2.957 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000184090769 262008590 /nfs/dbraw/zinc/00/85/90/262008590.db2.gz UFVFMFNDMGKGEG-QGZVFWFLSA-N 0 3 296.418 2.805 20 30 CFEDHN Cc1cccc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000193027500 262214291 /nfs/dbraw/zinc/21/42/91/262214291.db2.gz PUDJQXCQZYNJJI-NUEKZKHPSA-N 0 3 258.365 2.700 20 30 CFEDHN C=CCCOCCNCc1cccc2cccnc21 ZINC000120798593 262230982 /nfs/dbraw/zinc/23/09/82/262230982.db2.gz BPROCKQOLGUWRL-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C[C@H](CC1CCOCC1)CN(C)CC(C)(C)C#N ZINC000354019175 262276651 /nfs/dbraw/zinc/27/66/51/262276651.db2.gz VCIDRKOHVOSGPW-CYBMUJFWSA-N 0 3 252.402 2.921 20 30 CFEDHN C=CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000111257970 262258354 /nfs/dbraw/zinc/25/83/54/262258354.db2.gz GFYOBOIFDNUHGP-UHFFFAOYSA-N 0 3 276.336 2.872 20 30 CFEDHN CC[C@@H](CC#N)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000054182722 262260199 /nfs/dbraw/zinc/26/01/99/262260199.db2.gz YOAJADJDSBWLDU-OCCSQVGLSA-N 0 3 276.380 2.917 20 30 CFEDHN COc1ccc([C@@H](CCC#N)NC[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367709836 262265989 /nfs/dbraw/zinc/26/59/89/262265989.db2.gz VGDCESGFIMXKEE-WCXIOVBPSA-N 0 3 286.375 2.522 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(Br)s1 ZINC000184274039 262275455 /nfs/dbraw/zinc/27/54/55/262275455.db2.gz VDAPZDLDRBOKNZ-QMMMGPOBSA-N 0 3 276.199 2.537 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1C(F)(F)F ZINC000184282018 262276096 /nfs/dbraw/zinc/27/60/96/262276096.db2.gz DEADZZIQVNEEKL-NSHDSACASA-N 0 3 259.271 2.732 20 30 CFEDHN CC[C@@H](NCCCSCC#N)c1nccs1 ZINC000185045022 262300414 /nfs/dbraw/zinc/30/04/14/262300414.db2.gz IALHVPZCJDCPAM-SNVBAGLBSA-N 0 3 255.412 2.831 20 30 CFEDHN C=CCCOCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186186031 262312167 /nfs/dbraw/zinc/31/21/67/262312167.db2.gz BBIUDMSJIDXMJC-GFCCVEGCSA-N 0 3 265.353 2.644 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186710959 262321226 /nfs/dbraw/zinc/32/12/26/262321226.db2.gz OUQQSJRANCBNEU-HIFRSBDPSA-N 0 3 278.352 2.963 20 30 CFEDHN COc1ccc2c(c1OC)CCN(CCCCC#N)C2 ZINC000336822490 262397371 /nfs/dbraw/zinc/39/73/71/262397371.db2.gz LYOJGDFPOMGOOS-UHFFFAOYSA-N 0 3 274.364 2.756 20 30 CFEDHN COC[C@@H](NCCC1(C#N)CCCCC1)[C@H]1CCCO1 ZINC000411660496 262702451 /nfs/dbraw/zinc/70/24/51/262702451.db2.gz ALSUSYCXVXWPIS-HUUCEWRRSA-N 0 3 280.412 2.634 20 30 CFEDHN C=CCC[C@H](C)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414318747 262842588 /nfs/dbraw/zinc/84/25/88/262842588.db2.gz QLMCVOZIJHKQHN-WFASDCNBSA-N 0 3 276.355 2.875 20 30 CFEDHN C=CCCCCNCc1ccc(S(C)(=O)=O)s1 ZINC000414431506 262916363 /nfs/dbraw/zinc/91/63/63/262916363.db2.gz LHQBZFGZTPHHIR-UHFFFAOYSA-N 0 3 273.423 2.598 20 30 CFEDHN CC(C)CO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000267898673 262944837 /nfs/dbraw/zinc/94/48/37/262944837.db2.gz XJQSGGISWMIITH-LFIBNONCSA-N 0 3 262.353 2.530 20 30 CFEDHN C[C@H](NCc1ccn(C)c1)c1ccc(OCC#N)cc1 ZINC000270641791 262990173 /nfs/dbraw/zinc/99/01/73/262990173.db2.gz OSNBCHVUSOTCPI-ZDUSSCGKSA-N 0 3 269.348 2.778 20 30 CFEDHN CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000271706887 262998421 /nfs/dbraw/zinc/99/84/21/262998421.db2.gz UKSRTVOIEFFUTC-HOCLYGCPSA-N 0 3 287.407 2.735 20 30 CFEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000271735702 262998794 /nfs/dbraw/zinc/99/87/94/262998794.db2.gz ZKMTZNJIKSBMCT-WBVHZDCISA-N 0 3 287.407 2.782 20 30 CFEDHN C[C@H](NCCCSCC#N)c1ccccc1[N+](=O)[O-] ZINC000271771251 262999383 /nfs/dbraw/zinc/99/93/83/262999383.db2.gz QOYJLYOYBRJIMI-NSHDSACASA-N 0 3 279.365 2.892 20 30 CFEDHN CC(C)(C#N)CCN1CCc2ccccc2[C@H]1CO ZINC000272019457 263001425 /nfs/dbraw/zinc/00/14/25/263001425.db2.gz MJLJWULGLCUKAP-OAHLLOKOSA-N 0 3 258.365 2.518 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000272074818 263001947 /nfs/dbraw/zinc/00/19/47/263001947.db2.gz ZYIOXQGOEPHXCK-CQSZACIVSA-N 0 3 297.406 2.849 20 30 CFEDHN Cc1cnn(CCCCCN2CCC(C)(C#N)CC2)c1 ZINC000272613211 263007720 /nfs/dbraw/zinc/00/77/20/263007720.db2.gz SRNCXFYZESCWAW-UHFFFAOYSA-N 0 3 274.412 2.988 20 30 CFEDHN COCC[C@@H](NCCCSCC#N)c1ccco1 ZINC000273251207 263014316 /nfs/dbraw/zinc/01/43/16/263014316.db2.gz JGVWMUVDUQVLAL-GFCCVEGCSA-N 0 3 268.382 2.594 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(OCC(=O)OCC)cc1 ZINC000353176213 263017296 /nfs/dbraw/zinc/01/72/96/263017296.db2.gz VIULNZRZJANTIG-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274596645 263027167 /nfs/dbraw/zinc/02/71/67/263027167.db2.gz GRQYDRBEPLHGRS-LOWVWBTDSA-N 0 3 259.309 2.938 20 30 CFEDHN CN(C)CCN(C(=O)CC(C)(C)C#N)c1ccccc1 ZINC000278239678 263045985 /nfs/dbraw/zinc/04/59/85/263045985.db2.gz KXIJXOSCLWFXRB-UHFFFAOYSA-N 0 3 273.380 2.521 20 30 CFEDHN CCN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279170521 263053471 /nfs/dbraw/zinc/05/34/71/263053471.db2.gz ACVNUHIZEGMBAC-MRXNPFEDSA-N 0 3 283.375 2.745 20 30 CFEDHN C[C@@H]1CCCN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279490918 263055542 /nfs/dbraw/zinc/05/55/42/263055542.db2.gz XZUIXUAVOSSLKK-CQSZACIVSA-N 0 3 295.390 2.843 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCCC2)cc1 ZINC000279503014 263055939 /nfs/dbraw/zinc/05/59/39/263055939.db2.gz QRCOOYRPDMAFHI-OAHLLOKOSA-N 0 3 281.359 2.689 20 30 CFEDHN C=CCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279925636 263058158 /nfs/dbraw/zinc/05/81/58/263058158.db2.gz GDBDEBVHVKSGER-MRXNPFEDSA-N 0 3 281.359 2.713 20 30 CFEDHN CCCN(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280128161 263059281 /nfs/dbraw/zinc/05/92/81/263059281.db2.gz YZQMHXQGTIGORW-KRWDZBQOSA-N 0 3 295.386 2.889 20 30 CFEDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280162042 263059490 /nfs/dbraw/zinc/05/94/90/263059490.db2.gz FLFZSCLNZXLITA-INIZCTEOSA-N 0 3 299.418 2.654 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000280311370 263060170 /nfs/dbraw/zinc/06/01/70/263060170.db2.gz GEADQGDISIHZRM-CPUCHLNUSA-N 0 3 295.386 2.888 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000281456297 263069275 /nfs/dbraw/zinc/06/92/75/263069275.db2.gz FYUJRXQWZMTJAF-KEYYUXOJSA-N 0 3 295.386 2.745 20 30 CFEDHN CC(C)(C#N)CCN[C@]1(CO)CCCc2ccccc21 ZINC000281722742 263071522 /nfs/dbraw/zinc/07/15/22/263071522.db2.gz PGTLBCOFWQITLN-KRWDZBQOSA-N 0 3 272.392 2.740 20 30 CFEDHN CC[C@H](CC#N)N[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282185420 263074965 /nfs/dbraw/zinc/07/49/65/263074965.db2.gz FYBUFPBVPHTBBM-VXGBXAGGSA-N 0 3 253.349 2.917 20 30 CFEDHN COc1cc(CNc2cc(CN(C)C)ccn2)ccc1C#N ZINC000282434503 263076597 /nfs/dbraw/zinc/07/65/97/263076597.db2.gz UBJVERORCDNQAA-UHFFFAOYSA-N 0 3 296.374 2.636 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000285160292 263090837 /nfs/dbraw/zinc/09/08/37/263090837.db2.gz PKAOHXMHUZSDMI-RDJZCZTQSA-N 0 3 287.407 2.654 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@](C)(C#N)CC)C(C)C ZINC000285417775 263092828 /nfs/dbraw/zinc/09/28/28/263092828.db2.gz DMQROYIXPQCUIW-WBVHZDCISA-N 0 3 291.439 2.741 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000288891716 263106447 /nfs/dbraw/zinc/10/64/47/263106447.db2.gz RXEDEVXDYKYDGY-QGZVFWFLSA-N 0 3 288.391 2.573 20 30 CFEDHN COc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1[O-] ZINC000289373574 263109831 /nfs/dbraw/zinc/10/98/31/263109831.db2.gz BMNRRPFRHRZDBI-AAEUAGOBSA-N 0 3 260.337 2.573 20 30 CFEDHN C#C[C@H]([NH2+]Cc1cccc(OCC)c1[O-])C(C)(C)C ZINC000290212464 263115390 /nfs/dbraw/zinc/11/53/90/263115390.db2.gz QTFQHQZNOIEXHT-AWEZNQCLSA-N 0 3 261.365 2.928 20 30 CFEDHN CN(C)C[C@@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000291577938 263123953 /nfs/dbraw/zinc/12/39/53/263123953.db2.gz YOSYPGXYKYCBTJ-CQSZACIVSA-N 0 3 293.798 2.753 20 30 CFEDHN CN(C(=O)CCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000292185284 263129348 /nfs/dbraw/zinc/12/93/48/263129348.db2.gz QNDUKPZEKWAHFV-QGZVFWFLSA-N 0 3 299.418 2.803 20 30 CFEDHN COc1cc(CN(C)CCOCCC#N)ccc1SC ZINC000293290677 263139106 /nfs/dbraw/zinc/13/91/06/263139106.db2.gz YWQSQUURDAMDBL-UHFFFAOYSA-N 0 3 294.420 2.779 20 30 CFEDHN CN(CCOCCC#N)CCOc1ccc(Cl)cc1 ZINC000293568420 263143560 /nfs/dbraw/zinc/14/35/60/263143560.db2.gz SOWIBZWPLFRFAH-UHFFFAOYSA-N 0 3 282.771 2.581 20 30 CFEDHN CC[C@H](NCCOCCC#N)c1ccc(OC)c(OC)c1 ZINC000293584677 263143591 /nfs/dbraw/zinc/14/35/91/263143591.db2.gz NWXAANBJOBFMQW-AWEZNQCLSA-N 0 3 292.379 2.675 20 30 CFEDHN COc1ccc(OCCN(C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000293658221 263146544 /nfs/dbraw/zinc/14/65/44/263146544.db2.gz YMGYWBKUCFDJFJ-KBPBESRZSA-N 0 3 274.364 2.698 20 30 CFEDHN N#CCCOCCN1CCC=C(c2ccccc2)C1 ZINC000293956425 263153037 /nfs/dbraw/zinc/15/30/37/263153037.db2.gz CDBVIZHIQZBOOU-UHFFFAOYSA-N 0 3 256.349 2.706 20 30 CFEDHN CC[C@@H]1Cc2ccccc2CN1CCOCCC#N ZINC000294447667 263162052 /nfs/dbraw/zinc/16/20/52/263162052.db2.gz FSBPWVNGVAGCJL-MRXNPFEDSA-N 0 3 258.365 2.754 20 30 CFEDHN N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2NCc2ccco2)O1 ZINC000366701240 263163989 /nfs/dbraw/zinc/16/39/89/263163989.db2.gz YMQTXPKHSXOWNX-RZFFKMDDSA-N 0 3 260.337 2.609 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(O)(c3ccccc3)CC2)C1 ZINC000294649938 263165102 /nfs/dbraw/zinc/16/51/02/263165102.db2.gz QOYNXHJOUYIBJQ-ZBFHGGJFSA-N 0 3 270.376 2.662 20 30 CFEDHN COc1ncc(CN[C@@H]2CCC[C@H](C#N)C2)cc1Cl ZINC000294700124 263166353 /nfs/dbraw/zinc/16/63/53/263166353.db2.gz BFHSFDAPFZJTEZ-CMPLNLGQSA-N 0 3 279.771 2.916 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cn3ccccc3n2)C1 ZINC000294959464 263169796 /nfs/dbraw/zinc/16/97/96/263169796.db2.gz DTXVGRYZMAMYKG-STQMWFEESA-N 0 3 254.337 2.506 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1cccc(C2CC2)c1 ZINC000295340615 263176267 /nfs/dbraw/zinc/17/62/67/263176267.db2.gz HZXJUGHMJTZTKE-AWEZNQCLSA-N 0 3 299.418 2.977 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cccc(C2CC2)c1)C(=O)N(C)CCC#N ZINC000295558456 263179476 /nfs/dbraw/zinc/17/94/76/263179476.db2.gz XSAXAPZMBUQNOG-UONOGXRCSA-N 0 3 299.418 2.975 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@H](O)C(F)F ZINC000296576459 263192872 /nfs/dbraw/zinc/19/28/72/263192872.db2.gz TZKOGIANQBTCAQ-BPNCWPANSA-N 0 3 298.333 2.644 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(CCc2cccs2)CC1 ZINC000297726107 263208872 /nfs/dbraw/zinc/20/88/72/263208872.db2.gz BSTAPCAGVGYRBC-AWEZNQCLSA-N 0 3 277.437 2.600 20 30 CFEDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000298394425 263218899 /nfs/dbraw/zinc/21/88/99/263218899.db2.gz DUEJDRBNOBUZGB-OLZOCXBDSA-N 0 3 294.420 2.823 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCOC2)c([O-])c1 ZINC000298418522 263219506 /nfs/dbraw/zinc/21/95/06/263219506.db2.gz NPPBQVZARNNXSP-HNEYUBDGSA-N 0 3 276.380 2.694 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(Oc2ncccc2F)CC1 ZINC000298473143 263219842 /nfs/dbraw/zinc/21/98/42/263219842.db2.gz ITVITVMSIWXRJI-LBPRGKRZSA-N 0 3 277.343 2.756 20 30 CFEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(N2CCOC2=O)cc1 ZINC000299708451 263252761 /nfs/dbraw/zinc/25/27/61/263252761.db2.gz PVVGSCISOHSYPZ-QWHCGFSZSA-N 0 3 287.363 2.986 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000119838331 263279346 /nfs/dbraw/zinc/27/93/46/263279346.db2.gz DLOSHSDAYZSAOT-KBPBESRZSA-N 0 3 294.439 2.511 20 30 CFEDHN CC(C)CN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000340687467 263292960 /nfs/dbraw/zinc/29/29/60/263292960.db2.gz RLNJNTJIOHAYKR-ISXOHVOVSA-N 0 3 293.455 2.894 20 30 CFEDHN COc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccc1C#N ZINC000353640482 263293658 /nfs/dbraw/zinc/29/36/58/263293658.db2.gz GZQSMUOUJVFJGY-SWLSCSKDSA-N 0 3 269.348 2.739 20 30 CFEDHN C=CCN(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000121625128 263297708 /nfs/dbraw/zinc/29/77/08/263297708.db2.gz CXIXLBYBJNUPEX-UHFFFAOYSA-N 0 3 273.332 2.598 20 30 CFEDHN C=CC[C@H](CO)CNc1cc(C)nc2ccccc21 ZINC000340876727 263311042 /nfs/dbraw/zinc/31/10/42/263311042.db2.gz HAJAHCGDWOWZBW-ZDUSSCGKSA-N 0 3 256.349 2.562 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccnc(C3CC3)c2)CC1 ZINC000341041723 263318786 /nfs/dbraw/zinc/31/87/86/263318786.db2.gz KBJFPJLNZGSDRS-UHFFFAOYSA-N 0 3 299.418 2.729 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCCSC1 ZINC000341051139 263319259 /nfs/dbraw/zinc/31/92/59/263319259.db2.gz ZNKLOKNSPNJZFK-HUUCEWRRSA-N 0 3 288.416 2.771 20 30 CFEDHN CC(C#N)C(=O)NC1CC(c2ccccc2Cl)C1 ZINC000341117841 263322877 /nfs/dbraw/zinc/32/28/77/263322877.db2.gz MCCQCUKCICPUFK-KPPDAEKUSA-N 0 3 262.740 2.862 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCCN1CCCC[C@@H]1CC ZINC000341217395 263326900 /nfs/dbraw/zinc/32/69/00/263326900.db2.gz NLCMNROSGNIYKA-CABCVRRESA-N 0 3 281.444 2.905 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc2c(s1)C[C@@H](C)CC2 ZINC000341276739 263330163 /nfs/dbraw/zinc/33/01/63/263330163.db2.gz PZSPBGJCNHELDY-NWDGAFQWSA-N 0 3 280.437 2.542 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(F)cccc1N1CCCC1 ZINC000341325671 263331335 /nfs/dbraw/zinc/33/13/35/263331335.db2.gz VFGNIEDGIVKMFW-AWEZNQCLSA-N 0 3 292.398 2.700 20 30 CFEDHN C=CC[C@H](CC)NCc1cc2c(cc1OC)OCO2 ZINC000341476005 263341461 /nfs/dbraw/zinc/34/14/61/263341461.db2.gz YYBCNAKQAIQZIV-LBPRGKRZSA-N 0 3 263.337 2.868 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000341786915 263351660 /nfs/dbraw/zinc/35/16/60/263351660.db2.gz FDFYDFMBVPETFU-GRDNDAEWSA-N 0 3 287.407 2.780 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000341871699 263360546 /nfs/dbraw/zinc/36/05/46/263360546.db2.gz CHOCOVOCXKAAOV-RYUDHWBXSA-N 0 3 280.437 2.857 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(OC)cc1F ZINC000341870132 263360650 /nfs/dbraw/zinc/36/06/50/263360650.db2.gz BCCSVTXWAJXHGA-NEPJUHHUSA-N 0 3 267.344 2.670 20 30 CFEDHN C=CCN(CC1CCCCC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000341896204 263367017 /nfs/dbraw/zinc/36/70/17/263367017.db2.gz YIKKWJCNZOAECZ-INIZCTEOSA-N 0 3 299.480 2.880 20 30 CFEDHN COCC1(C#N)CCN(C[C@H](OC)c2ccccc2)CC1 ZINC000341969864 263373086 /nfs/dbraw/zinc/37/30/86/263373086.db2.gz CECSTSJVJJJTCI-INIZCTEOSA-N 0 3 288.391 2.626 20 30 CFEDHN COCCOCc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000342178567 263393693 /nfs/dbraw/zinc/39/36/93/263393693.db2.gz ZEFREWHNGUWERP-UHFFFAOYSA-N 0 3 288.391 2.633 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCN(C3CCCCC3)CC2)C1 ZINC000334205619 263507144 /nfs/dbraw/zinc/50/71/44/263507144.db2.gz YCZMCGNEWLUXPD-GOEBONIOSA-N 0 3 261.413 2.629 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H](C)CC ZINC000171952148 335086401 /nfs/dbraw/zinc/08/64/01/335086401.db2.gz DYKBETGWMIJUJV-KGLIPLIRSA-N 0 3 252.402 2.553 20 30 CFEDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2csnn2)C1 ZINC000330695258 264004919 /nfs/dbraw/zinc/00/49/19/264004919.db2.gz JCSRKESKBBZKMT-LLVKDONJSA-N 0 3 296.440 2.743 20 30 CFEDHN C#Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000934934698 649858023 /nfs/dbraw/zinc/85/80/23/649858023.db2.gz HHMWVDXQXIJXGF-UHFFFAOYSA-N 0 3 287.407 2.719 20 30 CFEDHN C[C@@H]1CN(c2ccccc2CN[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425346124 264017980 /nfs/dbraw/zinc/01/79/80/264017980.db2.gz BAULMSOWTFHPQG-HLLBOEOZSA-N 0 3 299.418 2.694 20 30 CFEDHN N#Cc1cccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000529720188 269970715 /nfs/dbraw/zinc/97/07/15/269970715.db2.gz WDDFJWTYCGMMRJ-KRWDZBQOSA-N 0 3 297.402 2.695 20 30 CFEDHN CCC(C)(C)N(C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000330755189 264030231 /nfs/dbraw/zinc/03/02/31/264030231.db2.gz DBWMVKJKZGFLRR-CHWSQXEVSA-N 0 3 297.443 2.716 20 30 CFEDHN CCc1onc(C)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000330791836 264039619 /nfs/dbraw/zinc/03/96/19/264039619.db2.gz DBCSXHMMEKFYGT-NSHDSACASA-N 0 3 279.384 2.724 20 30 CFEDHN C[NH+](C)CC[C@H](NC(=O)c1csc(=O)[n-]1)C(C)(C)C ZINC000330954801 264087465 /nfs/dbraw/zinc/08/74/65/264087465.db2.gz ARLHLGRTKXKWHB-JTQLQIEISA-N 0 3 285.413 2.520 20 30 CFEDHN CCN1CCC[C@@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC000330956739 264087658 /nfs/dbraw/zinc/08/76/58/264087658.db2.gz HUICEEYOQNCORJ-CQSZACIVSA-N 0 3 291.395 2.658 20 30 CFEDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2csc(=O)[n-]2)C1 ZINC000331005348 264105708 /nfs/dbraw/zinc/10/57/08/264105708.db2.gz ZHOIOLKCICRKPZ-GHMZBOCLSA-N 0 3 297.424 2.521 20 30 CFEDHN CNC(=O)c1cccc(CN2CCCC[C@@H]2C[C@@H](C)O)c1 ZINC000331310413 264186570 /nfs/dbraw/zinc/18/65/70/264186570.db2.gz GOFZCGJQXQUAHR-CZUORRHYSA-N 0 3 290.407 2.746 20 30 CFEDHN CCc1onc(C)c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000331298047 264198668 /nfs/dbraw/zinc/19/86/68/264198668.db2.gz PBJPDNUHMPQZHK-UHFFFAOYSA-N 0 3 293.411 2.972 20 30 CFEDHN C=C(C)COc1cc(CNCCOCC)ccc1OC ZINC000127281684 264249308 /nfs/dbraw/zinc/24/93/08/264249308.db2.gz HEQNOTWSGURAKP-UHFFFAOYSA-N 0 3 279.380 2.776 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072775487 264271256 /nfs/dbraw/zinc/27/12/56/264271256.db2.gz XJPNPPVXWBNGCP-UNEWFSDZSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(C)C)C(C)C ZINC000520129695 264583236 /nfs/dbraw/zinc/58/32/36/264583236.db2.gz JKHALGXZLBWIMX-INIZCTEOSA-N 0 3 295.471 2.982 20 30 CFEDHN CC1CCC(N(CC(=O)NC2(C#N)CCC2)C2CC2)CC1 ZINC000525885772 265032085 /nfs/dbraw/zinc/03/20/85/265032085.db2.gz VFNUPWPACUQRBE-UHFFFAOYSA-N 0 3 289.423 2.592 20 30 CFEDHN CC(C)C[C@@H]1CCCCCN1CC(=O)NC1(C#N)CCC1 ZINC000525886441 265034824 /nfs/dbraw/zinc/03/48/24/265034824.db2.gz UQFOJBBHDNXQPS-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN COc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000093492035 265181346 /nfs/dbraw/zinc/18/13/46/265181346.db2.gz MZVDYKWEFWQBRH-UHFFFAOYSA-N 0 3 258.346 2.918 20 30 CFEDHN CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CCCN(C)C1 ZINC000356208517 266071557 /nfs/dbraw/zinc/07/15/57/266071557.db2.gz RGTKICCYOJCIIM-SJORKVTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCCC1(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CC1 ZINC000356258830 266082137 /nfs/dbraw/zinc/08/21/37/266082137.db2.gz SQBVZTVCAUACPL-INIZCTEOSA-N 0 3 276.424 2.677 20 30 CFEDHN C=CCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000356311081 266093948 /nfs/dbraw/zinc/09/39/48/266093948.db2.gz AKHJMYYGXAEDDC-KBPBESRZSA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCOc1ccc(CNCc2c[nH]c3nccnc23)cc1 ZINC000356350123 266100158 /nfs/dbraw/zinc/10/01/58/266100158.db2.gz XQTUUGMWADPCQG-UHFFFAOYSA-N 0 3 294.358 2.764 20 30 CFEDHN C=CCCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC000357046103 266238526 /nfs/dbraw/zinc/23/85/26/266238526.db2.gz XTBKIWNHDWGQQC-UHFFFAOYSA-N 0 3 259.349 2.798 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000357047270 266238721 /nfs/dbraw/zinc/23/87/21/266238721.db2.gz VHEKEOYHRVRRJZ-GJZGRUSLSA-N 0 3 291.439 2.507 20 30 CFEDHN C=CCOc1cccc(CN[C@]2(C)CCCOC2)c1 ZINC000357352702 266281625 /nfs/dbraw/zinc/28/16/25/266281625.db2.gz LAQVIASRRFHCBG-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000357524225 266315499 /nfs/dbraw/zinc/31/54/99/266315499.db2.gz BLIMNPZYWUBTHN-LSDHHAIUSA-N 0 3 291.439 2.934 20 30 CFEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000357793918 266364432 /nfs/dbraw/zinc/36/44/32/266364432.db2.gz NEUZTMZHQHPMED-SNVBAGLBSA-N 0 3 264.756 2.893 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000357802245 266366404 /nfs/dbraw/zinc/36/64/04/266366404.db2.gz OWJYWFCZKBMLSQ-VIFPVBQESA-N 0 3 270.254 2.823 20 30 CFEDHN COc1ccccc1CC1CCN(C(=O)C(C)C#N)CC1 ZINC000357882953 266381331 /nfs/dbraw/zinc/38/13/31/266381331.db2.gz ASHCVFWRXLTPEX-ZDUSSCGKSA-N 0 3 286.375 2.636 20 30 CFEDHN C=CCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000419247786 266813944 /nfs/dbraw/zinc/81/39/44/266813944.db2.gz CGMZRNKZWOJHSM-MRXNPFEDSA-N 0 3 297.402 2.811 20 30 CFEDHN C=C[C@H]1CCCCN1CCOc1ccc(C#N)cc1OC ZINC000489443608 266833711 /nfs/dbraw/zinc/83/37/11/266833711.db2.gz CJTLYZUZAFXHIV-HNNXBMFYSA-N 0 3 286.375 2.986 20 30 CFEDHN N#CC(C(=O)c1ccnn1-c1ccccc1)c1ccccn1 ZINC000361664152 266867607 /nfs/dbraw/zinc/86/76/07/266867607.db2.gz HWOTYNHNODRVBK-AWEZNQCLSA-N 0 3 288.310 2.757 20 30 CFEDHN C=C(C)COCCNCc1cc2ccc(F)cc2[nH]1 ZINC000362928451 267062762 /nfs/dbraw/zinc/06/27/62/267062762.db2.gz SKYNFZHKGXYLAO-UHFFFAOYSA-N 0 3 262.328 2.989 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)cc2F)CCO[C@H]1C1CC1 ZINC000273076443 267117582 /nfs/dbraw/zinc/11/75/82/267117582.db2.gz PMKRILXZTVGOOM-JKSUJKDBSA-N 0 3 274.339 2.745 20 30 CFEDHN C=CCC[C@@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368033182 267139466 /nfs/dbraw/zinc/13/94/66/267139466.db2.gz DDVNDBCALLFIDF-GOSISDBHSA-N 0 3 286.419 2.779 20 30 CFEDHN CC[C@@H](F)CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000528779910 267188726 /nfs/dbraw/zinc/18/87/26/267188726.db2.gz YRJLFBVPPOVSDT-OAHLLOKOSA-N 0 3 276.355 2.902 20 30 CFEDHN Cc1noc(C)c1CO[C@H]1CCN(CCCCC#N)C1 ZINC000368871566 267210919 /nfs/dbraw/zinc/21/09/19/267210919.db2.gz ZPYYYEDYOQAYPH-AWEZNQCLSA-N 0 3 277.368 2.576 20 30 CFEDHN CC(C)(C#N)CCCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000369001376 267216470 /nfs/dbraw/zinc/21/64/70/267216470.db2.gz LNQWHNYWXHYNEP-UONOGXRCSA-N 0 3 282.453 2.913 20 30 CFEDHN CCc1nc([C@@H]2CCCN(CCCCC#N)C2)no1 ZINC000369246410 267228591 /nfs/dbraw/zinc/22/85/91/267228591.db2.gz XHIKJHCOGQVQAR-GFCCVEGCSA-N 0 3 262.357 2.505 20 30 CFEDHN C[C@@H]1OCC[C@@]12CN(CC(C)(C)CCC#N)C[C@@H](C)O2 ZINC000369290877 267231684 /nfs/dbraw/zinc/23/16/84/267231684.db2.gz SMYSPXBGZWDBNJ-IJEWVQPXSA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCCCCCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369295513 267233856 /nfs/dbraw/zinc/23/38/56/267233856.db2.gz WULIHIZJYKXBGU-LSDHHAIUSA-N 0 3 253.386 2.613 20 30 CFEDHN CCCCCCCCN1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369593924 267252626 /nfs/dbraw/zinc/25/26/26/267252626.db2.gz XJTZQFRMLHHYKJ-UHFFFAOYSA-N 0 3 292.427 2.665 20 30 CFEDHN C[C@@H]1CN(C2CCOCC2)CCN1CCCC(C)(C)C#N ZINC000369642909 267257139 /nfs/dbraw/zinc/25/71/39/267257139.db2.gz YWNXPSGCIKMLHD-OAHLLOKOSA-N 0 3 293.455 2.501 20 30 CFEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000369798027 267266556 /nfs/dbraw/zinc/26/65/56/267266556.db2.gz APMUYSKSMARVMG-WBVHZDCISA-N 0 3 294.439 2.976 20 30 CFEDHN COC[C@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000369948973 267278579 /nfs/dbraw/zinc/27/85/79/267278579.db2.gz SPKDUQFYMDWAGH-INIZCTEOSA-N 0 3 275.367 2.926 20 30 CFEDHN C=CCCCCN[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000369974630 267280350 /nfs/dbraw/zinc/28/03/50/267280350.db2.gz PRNQBCUQHJAHMG-AWEZNQCLSA-N 0 3 297.395 2.990 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@H](c2ccncn2)C1 ZINC000369995721 267281384 /nfs/dbraw/zinc/28/13/84/267281384.db2.gz BDQAQKGZHRORAS-AWEZNQCLSA-N 0 3 272.396 2.986 20 30 CFEDHN C#CCCOc1ccc(CN2CCOC[C@H](C)C2)cc1 ZINC000370052652 267286935 /nfs/dbraw/zinc/28/69/35/267286935.db2.gz IUQMQFOIJWDFDH-OAHLLOKOSA-N 0 3 273.376 2.557 20 30 CFEDHN C=CCCCC(=O)N1CCCN(CC(C)C)CC1 ZINC000370065235 267288238 /nfs/dbraw/zinc/28/82/38/267288238.db2.gz MUYKNFMFHRCEHY-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCN1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000370617271 267331253 /nfs/dbraw/zinc/33/12/53/267331253.db2.gz FHHAZAYWMFPVSY-MRXNPFEDSA-N 0 3 280.412 2.895 20 30 CFEDHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000371057757 267348424 /nfs/dbraw/zinc/34/84/24/267348424.db2.gz XMVMEEQFSNRUPY-HUUCEWRRSA-N 0 3 289.423 2.546 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H](C3CCOCC3)C2)cc1 ZINC000371066175 267349425 /nfs/dbraw/zinc/34/94/25/267349425.db2.gz RTVVVOUNZZJTRA-KRWDZBQOSA-N 0 3 287.378 2.926 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(C#N)c2C)nc(C)n1 ZINC000338627209 267363304 /nfs/dbraw/zinc/36/33/04/267363304.db2.gz QAKFCQVWMGUGDW-HNNXBMFYSA-N 0 3 290.326 2.764 20 30 CFEDHN C=CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000371309226 267386196 /nfs/dbraw/zinc/38/61/96/267386196.db2.gz WNBGWLZGFKZHMD-VQFNDLOPSA-N 0 3 284.403 2.589 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000305815595 268001282 /nfs/dbraw/zinc/00/12/82/268001282.db2.gz OIEHBOVTZTYQBI-AEFFLSMTSA-N 0 3 289.419 2.949 20 30 CFEDHN C=CCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000376683972 268009004 /nfs/dbraw/zinc/00/90/04/268009004.db2.gz ZYAICIDHHMYESB-CZUORRHYSA-N 0 3 273.380 2.562 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CCC2)C1 ZINC000123304894 268035191 /nfs/dbraw/zinc/03/51/91/268035191.db2.gz YRGVGEWRNMYNRG-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(c2nc(C)cc(C)n2)CC1 ZINC000376999553 268038666 /nfs/dbraw/zinc/03/86/66/268038666.db2.gz HAXJBJIQYDLKBJ-INIZCTEOSA-N 0 3 289.423 2.600 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2(C3CC3)CC2)cc1 ZINC000280001923 268089466 /nfs/dbraw/zinc/08/94/66/268089466.db2.gz JIFZQLMEOOYBFX-OAHLLOKOSA-N 0 3 293.370 2.547 20 30 CFEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H]2CCC2(C)C)c(C#N)c1C ZINC000519616412 268104241 /nfs/dbraw/zinc/10/42/41/268104241.db2.gz UCBONBDALRTNMR-ZWNOBZJWSA-N 0 3 289.379 2.873 20 30 CFEDHN N#Cc1ccc(OCCN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185845941 268175708 /nfs/dbraw/zinc/17/57/08/268175708.db2.gz ODXYWIDIPRUKAN-HUUCEWRRSA-N 0 3 269.348 2.609 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](C3CCCC3)C2)nc1 ZINC000514796997 268222223 /nfs/dbraw/zinc/22/22/23/268222223.db2.gz XIJZSLJREPQJBX-OAHLLOKOSA-N 0 3 255.365 2.965 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](N3CCCCC3)C2)s1 ZINC000271149909 270278192 /nfs/dbraw/zinc/27/81/92/270278192.db2.gz COOFVEXSOBPWAG-ZDUSSCGKSA-N 0 3 275.421 2.680 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000289848878 273487433 /nfs/dbraw/zinc/48/74/33/273487433.db2.gz QHZXKGVGRYFYMM-LRDDRELGSA-N 0 3 270.376 2.990 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@H](C)CO ZINC000352849647 274251853 /nfs/dbraw/zinc/25/18/53/274251853.db2.gz XOZLEBJVJDWWPM-NXEZZACHSA-N 0 3 286.297 2.684 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000346161384 274287388 /nfs/dbraw/zinc/28/73/88/274287388.db2.gz XQLCMWBWVNUAGY-WBVHZDCISA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)[C@@H](C)CN1C ZINC000335938633 274345489 /nfs/dbraw/zinc/34/54/89/274345489.db2.gz CGFKSIBWBCURAB-KGLIPLIRSA-N 0 3 276.811 2.716 20 30 CFEDHN N#Cc1cc(N2CCN(C3CCC3)CC2)nc2ccccc12 ZINC000336907015 274920300 /nfs/dbraw/zinc/92/03/00/274920300.db2.gz YOFDZOCAJBNBDU-UHFFFAOYSA-N 0 3 292.386 2.781 20 30 CFEDHN C#CCCN[C@H]1CCOc2c(Br)cccc21 ZINC000281922309 275379646 /nfs/dbraw/zinc/37/96/46/275379646.db2.gz CUALHMBZNSLZAU-LBPRGKRZSA-N 0 3 280.165 2.886 20 30 CFEDHN C=CCSCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354788343 275433064 /nfs/dbraw/zinc/43/30/64/275433064.db2.gz FRDOQOSTVZMFGA-CQSZACIVSA-N 0 3 284.469 2.532 20 30 CFEDHN CC1(C#N)CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000336071159 275805057 /nfs/dbraw/zinc/80/50/57/275805057.db2.gz FJAYMJVYLJXQKF-AWEZNQCLSA-N 0 3 250.386 2.553 20 30 CFEDHN CCCNC(=O)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360837725 276014937 /nfs/dbraw/zinc/01/49/37/276014937.db2.gz RAROHDXDFCSINX-KRWDZBQOSA-N 0 3 299.418 2.832 20 30 CFEDHN CCN1C[C@H](C)N(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000346207881 276249857 /nfs/dbraw/zinc/24/98/57/276249857.db2.gz MXYWJAPYDNXJPE-CABCVRRESA-N 0 3 274.383 2.592 20 30 CFEDHN CCOC(=O)C1(C)CCC(N[C@@H](CC)CC#N)CC1 ZINC000354621656 276273126 /nfs/dbraw/zinc/27/31/26/276273126.db2.gz ANNMZSOZCDRRKP-OPFPJEHXSA-N 0 3 266.385 2.780 20 30 CFEDHN CC[C@@H](C)[C@@H](CNCc1ccc(C#N)c(F)c1)OC ZINC000404118814 276419152 /nfs/dbraw/zinc/41/91/52/276419152.db2.gz MUWABKYSOFMMEE-IAQYHMDHSA-N 0 3 264.344 2.848 20 30 CFEDHN C=C(C)CCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000274754860 276856695 /nfs/dbraw/zinc/85/66/95/276856695.db2.gz BXXDXYJNMOLVTC-HNNXBMFYSA-N 0 3 259.397 2.726 20 30 CFEDHN C=CCC[C@@H](NCc1ncnn1C(C)(C)C)C1CC1 ZINC000282809827 276886296 /nfs/dbraw/zinc/88/62/96/276886296.db2.gz RFHBXIVDQLLTQE-CYBMUJFWSA-N 0 3 262.401 2.868 20 30 CFEDHN COC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000278862360 277263028 /nfs/dbraw/zinc/26/30/28/277263028.db2.gz RENZYZCVCPMLDM-KNXALSJPSA-N 0 3 292.354 2.542 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000377995120 277364612 /nfs/dbraw/zinc/36/46/12/277364612.db2.gz LGFXNOHUXQHIEI-DOMZBBRYSA-N 0 3 286.375 2.750 20 30 CFEDHN C[C@@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000347554375 277625132 /nfs/dbraw/zinc/62/51/32/277625132.db2.gz KBZMWRDZHBJVMP-MLGOLLRUSA-N 0 3 285.391 2.643 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000047873400 278254114 /nfs/dbraw/zinc/25/41/14/278254114.db2.gz AZAKQUZBOVLCJX-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000181764653 278260178 /nfs/dbraw/zinc/26/01/78/278260178.db2.gz XQUOCWIZSHDLHR-BUXKBTBVSA-N 0 3 278.421 2.756 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CCO2)CC1 ZINC000368525966 278309704 /nfs/dbraw/zinc/30/97/04/278309704.db2.gz GXAZBEUWIVYTGY-CYBMUJFWSA-N 0 3 256.349 2.874 20 30 CFEDHN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000419229771 278620888 /nfs/dbraw/zinc/62/08/88/278620888.db2.gz PEBVHFONOFHLEG-OAHLLOKOSA-N 0 3 285.391 2.501 20 30 CFEDHN CC[C@H](N[C@H](CCOC)COC)c1ccc(C#N)cc1 ZINC000353638600 288084786 /nfs/dbraw/zinc/08/47/86/288084786.db2.gz BCTVGZOXBDFTFI-CVEARBPZSA-N 0 3 276.380 2.650 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCC2 ZINC000286239720 278970318 /nfs/dbraw/zinc/97/03/18/278970318.db2.gz FFYYKROSEDNHKO-CJNGLKHVSA-N 0 3 296.418 2.505 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc2c(c1C#N)CCC2 ZINC000425253397 278970616 /nfs/dbraw/zinc/97/06/16/278970616.db2.gz KRMFWPCNXXRSQR-HIFRSBDPSA-N 0 3 296.418 2.505 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124763746 279303957 /nfs/dbraw/zinc/30/39/57/279303957.db2.gz FHWUPNSWUMFHLI-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)N(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192543816 279396643 /nfs/dbraw/zinc/39/66/43/279396643.db2.gz SZMLUTTYVIPZRR-KRWDZBQOSA-N 0 3 297.402 2.926 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000269651552 280315957 /nfs/dbraw/zinc/31/59/57/280315957.db2.gz DPSXPYNFSYITOF-MRXNPFEDSA-N 0 3 297.402 2.567 20 30 CFEDHN C[C@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](C)S1 ZINC000070383200 280484360 /nfs/dbraw/zinc/48/43/60/280484360.db2.gz DTXZIHKQCYJWLX-STQMWFEESA-N 0 3 276.405 2.763 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000343505352 280965434 /nfs/dbraw/zinc/96/54/34/280965434.db2.gz MVGVKNDIQORMTE-CJNGLKHVSA-N 0 3 285.391 2.610 20 30 CFEDHN CCN(C[C@H](O)CSC)[C@H](C)c1ccc(C#N)cc1 ZINC000249447633 281058254 /nfs/dbraw/zinc/05/82/54/281058254.db2.gz LNCRDTRVSYJPNQ-DOMZBBRYSA-N 0 3 278.421 2.665 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)Nc1nccc(C#N)n1)N(C)C ZINC000450534529 281362069 /nfs/dbraw/zinc/36/20/69/281362069.db2.gz FWJNOSADLCJOJY-XJKSGUPXSA-N 0 3 295.390 2.760 20 30 CFEDHN N#Cc1ccc(CNCCOCC2CCC2)s1 ZINC000562279200 282071085 /nfs/dbraw/zinc/07/10/85/282071085.db2.gz IHUANEHKAPPISN-UHFFFAOYSA-N 0 3 250.367 2.526 20 30 CFEDHN CN(C)CCN(c1ncc2c(c1C#N)CCC2)C1CCCC1 ZINC000425261476 289151746 /nfs/dbraw/zinc/15/17/46/289151746.db2.gz QIRIRUGDUOKRNT-UHFFFAOYSA-N 0 3 298.434 2.753 20 30 CFEDHN CC(C#N)C(=O)N1CCCn2c(cc3ccccc32)C1 ZINC000336632659 289235189 /nfs/dbraw/zinc/23/51/89/289235189.db2.gz BAIPYVBYARYNPZ-GFCCVEGCSA-N 0 3 267.332 2.533 20 30 CFEDHN CN(C)CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000153932236 289880483 /nfs/dbraw/zinc/88/04/83/289880483.db2.gz TUAPDGWVYRLDEL-UHFFFAOYSA-N 0 3 293.370 2.517 20 30 CFEDHN CC(C)CC[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000563000231 290091976 /nfs/dbraw/zinc/09/19/76/290091976.db2.gz JATHQONKKFSNTR-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@H]1CCCC[C@@H]1CCNCc1cnc2c(C#N)cnn2c1 ZINC000566245842 290362201 /nfs/dbraw/zinc/36/22/01/290362201.db2.gz VWOPKMJTIWXUKP-DZGCQCFKSA-N 0 3 297.406 2.907 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085456821 782057400 /nfs/dbraw/zinc/05/74/00/782057400.db2.gz UJIDSVICXZNJQS-INIZCTEOSA-N 0 3 290.382 2.938 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085461723 782062593 /nfs/dbraw/zinc/06/25/93/782062593.db2.gz MPDIZUNVSKCWSS-AWEZNQCLSA-N 0 3 290.382 2.938 20 30 CFEDHN Cc1ccc2nc(-n3cnc(CN)c3)c(C#N)c(Cl)c2c1 ZINC001154912044 782071104 /nfs/dbraw/zinc/07/11/04/782071104.db2.gz XQURNAQDYSVFRI-UHFFFAOYSA-N 0 3 297.749 2.713 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001085480904 782074673 /nfs/dbraw/zinc/07/46/73/782074673.db2.gz VWUIWOYWPWGMHJ-JKSUJKDBSA-N 0 3 276.424 2.842 20 30 CFEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000185824355 327846580 /nfs/dbraw/zinc/84/65/80/327846580.db2.gz XJSDFXNGJIHWCB-VNHYZAJKSA-N 0 3 271.364 2.686 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ncccc2Cl)C1 ZINC000185855735 327848353 /nfs/dbraw/zinc/84/83/53/327848353.db2.gz IUCMMCDYUOZDFH-VXGBXAGGSA-N 0 3 279.771 2.786 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000582120910 327879957 /nfs/dbraw/zinc/87/99/57/327879957.db2.gz YEULVHLHFLUQRA-ZBFHGGJFSA-N 0 3 287.407 2.609 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616381 328019334 /nfs/dbraw/zinc/01/93/34/328019334.db2.gz QVMWUPPEKFVXBV-HUUCEWRRSA-N 0 3 297.439 2.757 20 30 CFEDHN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccccn1 ZINC000531783210 328033657 /nfs/dbraw/zinc/03/36/57/328033657.db2.gz ATAZEXNYSHUKLB-CYBMUJFWSA-N 0 3 263.300 2.844 20 30 CFEDHN N#CCC1(CN[C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000571282079 328097510 /nfs/dbraw/zinc/09/75/10/328097510.db2.gz IPOUTSBEWCNSRG-CYBMUJFWSA-N 0 3 269.348 2.743 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000571391152 328118811 /nfs/dbraw/zinc/11/88/11/328118811.db2.gz UALHGSDHNXUFRA-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cncc(Br)c1 ZINC000571582600 328135286 /nfs/dbraw/zinc/13/52/86/328135286.db2.gz VGHILDFAQFLVQA-GWCFXTLKSA-N 0 3 299.212 2.822 20 30 CFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(CC#N)c1 ZINC000270941571 328194113 /nfs/dbraw/zinc/19/41/13/328194113.db2.gz NOHGLNJDKFOIRR-AWEZNQCLSA-N 0 3 299.418 2.555 20 30 CFEDHN CC(C)C(=O)N1CCCN(CCCC(C)(C)C#N)CC1 ZINC000174863515 329163869 /nfs/dbraw/zinc/16/38/69/329163869.db2.gz JHQDERYLDGUBDF-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)C1CC1)C(C)C ZINC000175332391 329164767 /nfs/dbraw/zinc/16/47/67/329164767.db2.gz QQWLMOALBLFHHX-GDBMZVCRSA-N 0 3 278.440 2.847 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000276351619 328217812 /nfs/dbraw/zinc/21/78/12/328217812.db2.gz WPYJLFHJUCHECX-AWEZNQCLSA-N 0 3 285.391 2.573 20 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30 CFEDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295053534 328284530 /nfs/dbraw/zinc/28/45/30/328284530.db2.gz NRIFYGVCUSFUFY-AAEUAGOBSA-N 0 3 260.337 2.573 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCc2cc(Br)cc(C)c21 ZINC000353577342 328288512 /nfs/dbraw/zinc/28/85/12/328288512.db2.gz PNGIYWLOLQHPBD-OLZOCXBDSA-N 0 3 296.208 2.881 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296201078 328289438 /nfs/dbraw/zinc/28/94/38/328289438.db2.gz ZDTIFWRCFMPMFG-GVXVVHGQSA-N 0 3 259.309 2.938 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccsc2)cc1 ZINC000174558440 323651239 /nfs/dbraw/zinc/65/12/39/323651239.db2.gz TVAUQDJWCROSHS-UHFFFAOYSA-N 0 3 258.346 2.788 20 30 CFEDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1sccc1C#N ZINC000183059889 323897934 /nfs/dbraw/zinc/89/79/34/323897934.db2.gz HUCCPESDAKORGG-ZJUUUORDSA-N 0 3 265.382 2.582 20 30 CFEDHN CC1(C)CC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000579969275 324996459 /nfs/dbraw/zinc/99/64/59/324996459.db2.gz FSZAPDMWWOJYPQ-ZDUSSCGKSA-N 0 3 291.782 2.928 20 30 CFEDHN C[C@@H](Nc1ncc2c(c1C#N)CCC2)C1=CCN(C)CC1 ZINC000580829429 325067018 /nfs/dbraw/zinc/06/70/18/325067018.db2.gz CHOYJZAMUDSYTH-GFCCVEGCSA-N 0 3 282.391 2.504 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000581014438 325082667 /nfs/dbraw/zinc/08/26/67/325082667.db2.gz WCFNGLPTUUTANQ-DZGCQCFKSA-N 0 3 289.335 2.514 20 30 CFEDHN CC1(C)CC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582011743 325169242 /nfs/dbraw/zinc/16/92/42/325169242.db2.gz MCEOTQYRAIZQKW-CYBMUJFWSA-N 0 3 259.309 2.745 20 30 CFEDHN CCN(C)C[C@H](O)CSc1ccc(C#N)cc1Cl ZINC000583509917 325293010 /nfs/dbraw/zinc/29/30/10/325293010.db2.gz AZOUWOSLLGZSCH-NSHDSACASA-N 0 3 284.812 2.616 20 30 CFEDHN C[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583755886 325308798 /nfs/dbraw/zinc/30/87/98/325308798.db2.gz HJACHQKZOFNKDI-ZWNOBZJWSA-N 0 3 259.309 2.745 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H](C)C1 ZINC000187963025 329361753 /nfs/dbraw/zinc/36/17/53/329361753.db2.gz FRKIHLWMFYJLKQ-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000347687596 328575334 /nfs/dbraw/zinc/57/53/34/328575334.db2.gz JCIKWJZTMYNJIJ-HUUCEWRRSA-N 0 3 274.383 2.592 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000037319763 326845041 /nfs/dbraw/zinc/84/50/41/326845041.db2.gz IYBNUCGWDRATPW-ZIAGYGMSSA-N 0 3 284.363 2.525 20 30 CFEDHN C=CCOc1ccc(CNC2(COC)CCC2)cc1 ZINC000341214473 327024132 /nfs/dbraw/zinc/02/41/32/327024132.db2.gz PXHJHJLIKSOOKC-UHFFFAOYSA-N 0 3 261.365 2.910 20 30 CFEDHN CC(C)C1CCC(N(C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000558116261 327074666 /nfs/dbraw/zinc/07/46/66/327074666.db2.gz WHHBWMCNPKVVFL-UHFFFAOYSA-N 0 3 291.439 2.695 20 30 CFEDHN Cc1ccc(Cl)cc1N1CC[C@@H](CNCCC#N)C1 ZINC000566004815 327109140 /nfs/dbraw/zinc/10/91/40/327109140.db2.gz FDFJRBOHTHSZRU-ZDUSSCGKSA-N 0 3 277.799 2.978 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC000558723287 327117246 /nfs/dbraw/zinc/11/72/46/327117246.db2.gz UBLBOESYVFMOOF-QWHCGFSZSA-N 0 3 293.794 2.869 20 30 CFEDHN COCCN(CCCSCC#N)Cc1ccccc1 ZINC000074981198 327122762 /nfs/dbraw/zinc/12/27/62/327122762.db2.gz BCVWOSNUESDWSC-UHFFFAOYSA-N 0 3 278.421 2.782 20 30 CFEDHN Cc1ncsc1CN(C)CCCSCC#N ZINC000074990563 327122946 /nfs/dbraw/zinc/12/29/46/327122946.db2.gz OYFNZOJSQOQKIZ-UHFFFAOYSA-N 0 3 255.412 2.530 20 30 CFEDHN CC[C@H](CC#N)NCC/C=C\c1cncc(OC)c1 ZINC000572614001 327142433 /nfs/dbraw/zinc/14/24/33/327142433.db2.gz UBFNUPKVQZBORT-KXQLTZBTSA-N 0 3 259.353 2.775 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](C)C1)C(C)C ZINC000410387573 327190675 /nfs/dbraw/zinc/19/06/75/327190675.db2.gz IOCQCLLDJCTKLB-HZPDHXFCSA-N 0 3 293.455 2.736 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(-n2ccnn2)c1 ZINC000561348131 327387807 /nfs/dbraw/zinc/38/78/07/327387807.db2.gz KSBUSKPUDSFPAU-CYBMUJFWSA-N 0 3 281.363 2.612 20 30 CFEDHN Cc1ccc(C(C)(C)CNC(=O)C(C)C#N)c(C)c1 ZINC000561386346 327391436 /nfs/dbraw/zinc/39/14/36/327391436.db2.gz KRLZWOGVTYBMHL-CYBMUJFWSA-N 0 3 258.365 2.857 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000565028213 327399413 /nfs/dbraw/zinc/39/94/13/327399413.db2.gz GGHOFMBNSZKHNE-AGIUHOORSA-N 0 3 296.374 2.865 20 30 CFEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CC2)c(C)c1OC ZINC000561961499 327435296 /nfs/dbraw/zinc/43/52/96/327435296.db2.gz IZRLALNDONZCMY-GFCCVEGCSA-N 0 3 288.391 2.837 20 30 CFEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCC1(C#N)CC1 ZINC000570660911 327609036 /nfs/dbraw/zinc/60/90/36/327609036.db2.gz IKIVLLSGGNNPBI-UHFFFAOYSA-N 0 3 297.358 2.528 20 30 CFEDHN N#CCc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000332468639 328740124 /nfs/dbraw/zinc/74/01/24/328740124.db2.gz RPYFMGUCGBCJNE-UHFFFAOYSA-N 0 3 280.375 2.855 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000336581090 328759281 /nfs/dbraw/zinc/75/92/81/328759281.db2.gz OTZHDIJZCPRNPL-MRXNPFEDSA-N 0 3 299.418 2.903 20 30 CFEDHN Cc1ccsc1[C@H](CO)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000361425635 328925440 /nfs/dbraw/zinc/92/54/40/328925440.db2.gz HSDRFHSBBXNOCK-UPJWGTAASA-N 0 3 264.394 2.762 20 30 CFEDHN C=C(C)CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000377507319 329016979 /nfs/dbraw/zinc/01/69/79/329016979.db2.gz YGMRLJXSZWYBCR-MRXNPFEDSA-N 0 3 263.356 2.629 20 30 CFEDHN C#Cc1ccc(CN[C@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000377629300 329021843 /nfs/dbraw/zinc/02/18/43/329021843.db2.gz RGNOETJPNOWLAZ-LPHOPBHVSA-N 0 3 277.367 2.978 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2cccs2)C[C@H]1C ZINC000377803943 329030053 /nfs/dbraw/zinc/03/00/53/329030053.db2.gz BCRLKRKFUYFNCU-AGIUHOORSA-N 0 3 278.421 2.617 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000378030360 329037532 /nfs/dbraw/zinc/03/75/32/329037532.db2.gz VWCSTQRJMQZPMA-WFASDCNBSA-N 0 3 270.392 2.670 20 30 CFEDHN C#CCCCCC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000378423924 329049681 /nfs/dbraw/zinc/04/96/81/329049681.db2.gz QPHUKNFKMYQCAH-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000458995016 329066001 /nfs/dbraw/zinc/06/60/01/329066001.db2.gz GRFDZFHRDMDNJR-UHFFFAOYSA-N 0 3 295.452 2.788 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000171738066 329079735 /nfs/dbraw/zinc/07/97/35/329079735.db2.gz FPUDJMYVQAWYRT-UHFFFAOYSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000172265013 329084534 /nfs/dbraw/zinc/08/45/34/329084534.db2.gz QBHFPSUJCCAZFG-SQWLQELKSA-N 0 3 293.455 2.761 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc(F)c1F ZINC000582719869 329130170 /nfs/dbraw/zinc/13/01/70/329130170.db2.gz BMLQSRXQRKLBMC-GWCFXTLKSA-N 0 3 253.292 2.646 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000172654371 329136283 /nfs/dbraw/zinc/13/62/83/329136283.db2.gz FITBRQMTKKIZQT-KBPBESRZSA-N 0 3 254.418 2.968 20 30 CFEDHN C=CCNC(=O)CN1CCCC2(C1)CCCCCC2 ZINC000174172015 329155132 /nfs/dbraw/zinc/15/51/32/329155132.db2.gz UGHDCTIXNFDXHZ-UHFFFAOYSA-N 0 3 264.413 2.725 20 30 CFEDHN C[C@@H]1CC[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174470833 329159206 /nfs/dbraw/zinc/15/92/06/329159206.db2.gz GCUGPGABDZBTKH-CABCVRRESA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC12CC2)C(C)C ZINC000425597948 329162025 /nfs/dbraw/zinc/16/20/25/329162025.db2.gz FIMPYGLKEXMVMC-HUUCEWRRSA-N 0 3 291.439 2.537 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N(C)C(C)C ZINC000177686320 329189024 /nfs/dbraw/zinc/18/90/24/329189024.db2.gz MBKZVWOAQJSWCK-AWEZNQCLSA-N 0 3 254.418 2.920 20 30 CFEDHN C=C(C)CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178049192 329192006 /nfs/dbraw/zinc/19/20/06/329192006.db2.gz FGTBWISPFLUMFR-OAHLLOKOSA-N 0 3 272.392 2.705 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000180135854 329211930 /nfs/dbraw/zinc/21/19/30/329211930.db2.gz JDIVMVBCXPJHAB-QGZVFWFLSA-N 0 3 273.376 2.864 20 30 CFEDHN Cn1cc([C@@H](NCCCCC#N)c2cccc(F)c2)cn1 ZINC000180429244 329216749 /nfs/dbraw/zinc/21/67/49/329216749.db2.gz SIHMXAWSIJYOBW-INIZCTEOSA-N 0 3 286.354 2.932 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000181118474 329226261 /nfs/dbraw/zinc/22/62/61/329226261.db2.gz QHYKESIUKMGMOD-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(F)c(Cl)c1 ZINC000321035947 329226812 /nfs/dbraw/zinc/22/68/12/329226812.db2.gz RMEYAODJYDXYPH-NSHDSACASA-N 0 3 257.736 2.896 20 30 CFEDHN N#CCCCCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183351486 329247442 /nfs/dbraw/zinc/24/74/42/329247442.db2.gz SUYGPZZIORSVNV-HNNXBMFYSA-N 0 3 262.328 2.973 20 30 CFEDHN CC(C)OC(=O)C[C@H]1CCCN(CCCSCC#N)C1 ZINC000184473920 329260585 /nfs/dbraw/zinc/26/05/85/329260585.db2.gz UTKJMFFUVZEWTA-CQSZACIVSA-N 0 3 298.452 2.687 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000321135008 329264006 /nfs/dbraw/zinc/26/40/06/329264006.db2.gz SGBOBXKRPVXOLH-JSGCOSHPSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000185296755 329270370 /nfs/dbraw/zinc/27/03/70/329270370.db2.gz WOLWMICTRXFROH-CABCVRRESA-N 0 3 266.429 2.825 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCc2ccccc2C1 ZINC000583043123 329303092 /nfs/dbraw/zinc/30/30/92/329303092.db2.gz BSTOVGXCWWISAD-CZUORRHYSA-N 0 3 253.349 2.577 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)[C@@H]1CC ZINC000185646145 329328357 /nfs/dbraw/zinc/32/83/57/329328357.db2.gz VEYWVEVXMYOPLN-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cccc(F)c1F ZINC000321297603 329341348 /nfs/dbraw/zinc/34/13/48/329341348.db2.gz ICARXGAZIOYTOB-QWRGUYRKSA-N 0 3 255.308 2.943 20 30 CFEDHN N#CCSCCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186597780 329346021 /nfs/dbraw/zinc/34/60/21/329346021.db2.gz JVCCLHDFAOZXAR-MRXNPFEDSA-N 0 3 288.416 2.765 20 30 CFEDHN Cc1ccc(CC[C@H](C)NC[C@@H](C#N)CCC#N)o1 ZINC000583199411 329358778 /nfs/dbraw/zinc/35/87/78/329358778.db2.gz NTDHGHKNRIEHFJ-GXTWGEPZSA-N 0 3 259.353 2.942 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)CC)CC1 ZINC000191367119 329413174 /nfs/dbraw/zinc/41/31/74/329413174.db2.gz KBAMMYZDAHPUCO-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@@](O)(CNC1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000127403622 329599463 /nfs/dbraw/zinc/59/94/63/329599463.db2.gz PGVHPKBZQMCYIO-IIIMJFFVSA-N 0 3 296.370 2.701 20 30 CFEDHN COc1cc2nccc(N[C@@H]3CC[C@H](C#N)C3)c2cc1OC ZINC000425269616 329653460 /nfs/dbraw/zinc/65/34/60/329653460.db2.gz CQEQKDOWODHVFD-NWDGAFQWSA-N 0 3 297.358 2.778 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000509611529 332875284 /nfs/dbraw/zinc/87/52/84/332875284.db2.gz QZCIPGRCAFMBRI-KBPBESRZSA-N 0 3 293.411 2.926 20 30 CFEDHN CO[C@H](CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000284536651 329931209 /nfs/dbraw/zinc/93/12/09/329931209.db2.gz XAQURAJGYMSYTG-OAHLLOKOSA-N 0 3 258.365 3.000 20 30 CFEDHN CC1(C)CCC[C@@]1(O)CNC(=N)Nc1cc(F)ccc1F ZINC000263065518 330041749 /nfs/dbraw/zinc/04/17/49/330041749.db2.gz GCSCPCRTPLWYPG-OAHLLOKOSA-N 0 3 297.349 2.633 20 30 CFEDHN CCCc1ncc(CNC(=N)Nc2cc(F)ccc2F)o1 ZINC000263213006 330049445 /nfs/dbraw/zinc/04/94/45/330049445.db2.gz ZKFIXIZPJLHOTI-UHFFFAOYSA-N 0 3 294.305 2.832 20 30 CFEDHN C#CC[C@@H](NC[C@H]1CC(C(=O)OC)=C(C)O1)c1ccccc1 ZINC000272456124 330086130 /nfs/dbraw/zinc/08/61/30/330086130.db2.gz CVRKQZSINVSIMZ-NVXWUHKLSA-N 0 3 299.370 2.577 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)Cc1ccc(F)cc1Cl ZINC000421863542 330098704 /nfs/dbraw/zinc/09/87/04/330098704.db2.gz YRUOIFPGMGVCTQ-BXKDBHETSA-N 0 3 257.736 2.547 20 30 CFEDHN C=CCC[C@H](NC1CCN(OC)CC1)c1ccco1 ZINC000421874095 330100901 /nfs/dbraw/zinc/10/09/01/330100901.db2.gz IIEPVLOXZVSAKQ-AWEZNQCLSA-N 0 3 264.369 2.902 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000423201788 330176737 /nfs/dbraw/zinc/17/67/37/330176737.db2.gz JKTWMSAXXMAIGK-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@H]2NCCc3ccccc32)C1 ZINC000423415632 330197641 /nfs/dbraw/zinc/19/76/41/330197641.db2.gz DYSNKXBGYJEIJV-FRFSOERESA-N 0 3 269.392 2.545 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](N)c1ccccc1CC ZINC000423942521 330217167 /nfs/dbraw/zinc/21/71/67/330217167.db2.gz PTRTZLHVGNFRAB-OAHLLOKOSA-N 0 3 260.381 2.721 20 30 CFEDHN Cc1c(Cl)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000424072567 330220185 /nfs/dbraw/zinc/22/01/85/330220185.db2.gz CYRRJIKHXZHAEB-NSHDSACASA-N 0 3 265.744 2.608 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)c(Cl)c1 ZINC000424073065 330220208 /nfs/dbraw/zinc/22/02/08/330220208.db2.gz DZHZPEHDQKYVDV-NSHDSACASA-N 0 3 265.744 2.608 20 30 CFEDHN C=CCC(CC=C)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424077443 330221122 /nfs/dbraw/zinc/22/11/22/330221122.db2.gz OMSVTYMUKXDWDT-OAHLLOKOSA-N 0 3 270.376 2.671 20 30 CFEDHN Cc1ccc(Cl)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424081840 330223524 /nfs/dbraw/zinc/22/35/24/330223524.db2.gz KMUJSEPFVRVHSN-LLVKDONJSA-N 0 3 265.744 2.608 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NCCc1cccc2ccccc21 ZINC000424094041 330226310 /nfs/dbraw/zinc/22/63/10/330226310.db2.gz TXXUOMZJJCDNEX-QGZVFWFLSA-N 0 3 295.386 2.520 20 30 CFEDHN CC(C)COc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424103389 330233584 /nfs/dbraw/zinc/23/35/84/330233584.db2.gz SLTLOMPDGSEYCX-CYBMUJFWSA-N 0 3 289.379 2.681 20 30 CFEDHN CC(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c1cccs1 ZINC000424103036 330233588 /nfs/dbraw/zinc/23/35/88/330233588.db2.gz PRKOYKFRBOMGMJ-OLZOCXBDSA-N 0 3 293.436 2.973 20 30 CFEDHN C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424105712 330234432 /nfs/dbraw/zinc/23/44/32/330234432.db2.gz WIYMJOIKYAFPEV-YGRLFVJLSA-N 0 3 295.333 2.505 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000424108286 330234889 /nfs/dbraw/zinc/23/48/89/330234889.db2.gz QHPHFZQHZKREEP-IXDOHACOSA-N 0 3 299.418 2.850 20 30 CFEDHN CCC[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424111191 330239604 /nfs/dbraw/zinc/23/96/04/330239604.db2.gz GALKVBSLSJBSKR-JKSUJKDBSA-N 0 3 287.407 2.535 20 30 CFEDHN Cc1ccccc1C[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424114165 330242834 /nfs/dbraw/zinc/24/28/34/330242834.db2.gz QAZKPCTVKIMIHF-SJORKVTESA-N 0 3 299.418 2.550 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000528396998 330251922 /nfs/dbraw/zinc/25/19/22/330251922.db2.gz QFUNWVGKDJOXJV-VNQPRFMTSA-N 0 3 270.376 2.734 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000424122361 330254139 /nfs/dbraw/zinc/25/41/39/330254139.db2.gz JZCKBTAWFVHREX-GFCCVEGCSA-N 0 3 298.346 2.665 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1C ZINC000424129944 330260271 /nfs/dbraw/zinc/26/02/71/330260271.db2.gz SLBNAKZXTUUUGH-IAGOWNOFSA-N 0 3 299.418 2.988 20 30 CFEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CC[C@H]1c1ccccc1 ZINC000424134058 330266703 /nfs/dbraw/zinc/26/67/03/330266703.db2.gz XVRWJAQMDXQNKH-DJIMGWMZSA-N 0 3 299.418 2.660 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cc(F)ccc1F ZINC000424135720 330270599 /nfs/dbraw/zinc/27/05/99/330270599.db2.gz ZSECREZUWAQAHJ-UONOGXRCSA-N 0 3 295.333 2.553 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccccc2)CCCCC1 ZINC000424135850 330270752 /nfs/dbraw/zinc/27/07/52/330270752.db2.gz ZXUUPWREPJBNFX-INIZCTEOSA-N 0 3 299.418 2.983 20 30 CFEDHN CC(C)CC[C@@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424140503 330280872 /nfs/dbraw/zinc/28/08/72/330280872.db2.gz SJXOULCHXWXSSL-LSDHHAIUSA-N 0 3 279.428 2.825 20 30 CFEDHN C=CCC[C@@H](CC)N[C@H]1Cc2ccccc2NC1=O ZINC000527999330 330299858 /nfs/dbraw/zinc/29/98/58/330299858.db2.gz KTQAMHIKKWNBAQ-HIFRSBDPSA-N 0 3 258.365 2.884 20 30 CFEDHN CC1(C#N)CCC(N[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000527999785 330300089 /nfs/dbraw/zinc/30/00/89/330300089.db2.gz QEBOTLHTNWGRPC-GNHJJJEISA-N 0 3 283.375 2.612 20 30 CFEDHN C[C@H]1CCCN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424171576 330311661 /nfs/dbraw/zinc/31/16/61/330311661.db2.gz MGAYZLQNZCADQH-DZGCQCFKSA-N 0 3 285.391 2.938 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2CCC[C@H](CC)C2)nn1 ZINC000424175258 330315353 /nfs/dbraw/zinc/31/53/53/330315353.db2.gz UAFRIJPGOPFESB-UONOGXRCSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCn1cc(CNC[C@H]2C(C)=CCC[C@@H]2C)nn1 ZINC000424176862 330317278 /nfs/dbraw/zinc/31/72/78/330317278.db2.gz YTSGGWOJDDYZGI-ZFWWWQNUSA-N 0 3 260.385 2.546 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CC23CC3)cc1OC ZINC000424188163 330322028 /nfs/dbraw/zinc/32/20/28/330322028.db2.gz XDTIYRDELHGWNK-OAHLLOKOSA-N 0 3 259.349 2.902 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccncc3)s2)C1 ZINC000424188785 330322058 /nfs/dbraw/zinc/32/20/58/330322058.db2.gz CJANWXPSXMSABJ-YPMHNXCESA-N 0 3 284.388 2.987 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCc2ccc(C)cc2)nn1 ZINC000424294386 330335753 /nfs/dbraw/zinc/33/57/53/330335753.db2.gz KUBRARUPHGXIEK-OAHLLOKOSA-N 0 3 284.407 2.883 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)[C@H](C)c2ccccc2)nn1 ZINC000424296378 330336156 /nfs/dbraw/zinc/33/61/56/330336156.db2.gz OGUVFDWMSIABNE-KBPBESRZSA-N 0 3 270.380 2.746 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCCC(C)C)nn1 ZINC000424298442 330336592 /nfs/dbraw/zinc/33/65/92/330336592.db2.gz SIJZKUQUWWUHQX-CYBMUJFWSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](CCC)C2CCCC2)nn1 ZINC000424299598 330336889 /nfs/dbraw/zinc/33/68/89/330336889.db2.gz VRNLLSAOSURBLS-OAHLLOKOSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084867099 330362828 /nfs/dbraw/zinc/36/28/28/330362828.db2.gz CJPTTXGLWXXWRL-UHFFFAOYSA-N 0 3 264.344 2.532 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000424558693 330375760 /nfs/dbraw/zinc/37/57/60/330375760.db2.gz KGAYCXCFSKAIBD-INIZCTEOSA-N 0 3 288.435 2.878 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000424558694 330375805 /nfs/dbraw/zinc/37/58/05/330375805.db2.gz KGAYCXCFSKAIBD-MRXNPFEDSA-N 0 3 288.435 2.878 20 30 CFEDHN CC[C@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088523970 330377272 /nfs/dbraw/zinc/37/72/72/330377272.db2.gz YUMGPMOWSJIDPL-DOTOQJQBSA-N 0 3 271.408 2.915 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000090451350 330392664 /nfs/dbraw/zinc/39/26/64/330392664.db2.gz HDVJWLUOVYZYON-BFUOFWGJSA-N 0 3 281.421 2.667 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cnn(C(C)C)c1 ZINC000090451430 330392732 /nfs/dbraw/zinc/39/27/32/330392732.db2.gz XCEXOTBPIHXTPE-CYBMUJFWSA-N 0 3 251.374 2.707 20 30 CFEDHN Cc1nn(-c2ccccc2)cc1CNCC1(CC#N)CC1 ZINC000430018491 330557377 /nfs/dbraw/zinc/55/73/77/330557377.db2.gz FUCXSGVNWZVLPC-UHFFFAOYSA-N 0 3 280.375 2.964 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](CCCC#N)c2ccccc2)C1=O ZINC000433026606 330613192 /nfs/dbraw/zinc/61/31/92/330613192.db2.gz GTMNLGWEFRUUOL-IRXDYDNUSA-N 0 3 297.402 2.798 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccccc1 ZINC000448637581 330748486 /nfs/dbraw/zinc/74/84/86/330748486.db2.gz IPJADCKHIRFWTG-YXJHDRRASA-N 0 3 299.418 2.735 20 30 CFEDHN CC[C@@H](C(=O)NCC1CCC(C#N)CC1)N(CC)CC ZINC000441143678 330759894 /nfs/dbraw/zinc/75/98/94/330759894.db2.gz IEAXPCADFYKTMB-NRXISQOPSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCC[C@H](C)C(C)=O)CC1 ZINC000441389900 330767555 /nfs/dbraw/zinc/76/75/55/330767555.db2.gz XSRLHMZISFNEJO-AWEZNQCLSA-N 0 3 294.439 2.539 20 30 CFEDHN N#C[C@H]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)C1 ZINC000442775027 330782187 /nfs/dbraw/zinc/78/21/87/330782187.db2.gz DZTOQJARZRPDBA-IUCAKERBSA-N 0 3 289.326 2.986 20 30 CFEDHN Cc1ccn(-c2ccccc2CN[C@H]2CC[C@H](C#N)C2)n1 ZINC000442816278 330785411 /nfs/dbraw/zinc/78/54/11/330785411.db2.gz DOHZMYOKNWFLBA-HOCLYGCPSA-N 0 3 280.375 2.963 20 30 CFEDHN CO[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000442855829 330787384 /nfs/dbraw/zinc/78/73/84/330787384.db2.gz KSGBZFZWVDRIIO-BYCMXARLSA-N 0 3 262.328 2.795 20 30 CFEDHN C=CCN1CCC(N=c2[nH]c3cccc(F)c3s2)CC1 ZINC000450319342 330972532 /nfs/dbraw/zinc/97/25/32/330972532.db2.gz QNXGMQXDXCYMJQ-UHFFFAOYSA-N 0 3 291.395 2.920 20 30 CFEDHN CCC[C@]1(COC)CCCN1CC1(C#N)CCC1 ZINC000450868606 331003876 /nfs/dbraw/zinc/00/38/76/331003876.db2.gz IPBBRTPNLRGDFR-OAHLLOKOSA-N 0 3 250.386 2.961 20 30 CFEDHN CCCCO[C@@H]1C[C@H](NCC2(C#N)CC2)C1(C)C ZINC000450966618 331009057 /nfs/dbraw/zinc/00/90/57/331009057.db2.gz GZHKAQJZZHNQIA-QWHCGFSZSA-N 0 3 250.386 2.864 20 30 CFEDHN C=CCCCCCN[C@@](C)(CO)c1cccc(O)c1 ZINC000451045753 331013273 /nfs/dbraw/zinc/01/32/73/331013273.db2.gz YOEHUDQQSDFHBE-INIZCTEOSA-N 0 3 263.381 2.936 20 30 CFEDHN CC1(C)OCC[C@H]1NCC#Cc1ccccc1Cl ZINC000451242187 331021724 /nfs/dbraw/zinc/02/17/24/331021724.db2.gz LTBGXZPOFBGIBM-CQSZACIVSA-N 0 3 263.768 2.849 20 30 CFEDHN CC[C@@H]1[C@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451250611 331021971 /nfs/dbraw/zinc/02/19/71/331021971.db2.gz DHXVOOJLPNRGEA-GOEBONIOSA-N 0 3 277.795 2.784 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@]1(C#N)C[C@H]1C)N(C)C ZINC000451265514 331022415 /nfs/dbraw/zinc/02/24/15/331022415.db2.gz LTDKYLQIVRDVBY-YQYZPQCESA-N 0 3 299.418 2.652 20 30 CFEDHN C=CCN1CC[C@H](N2Cc3cccc(C)c3CC2(C)C)C1=O ZINC000451261803 331022420 /nfs/dbraw/zinc/02/24/20/331022420.db2.gz MXEFHWAFQWVOJK-KRWDZBQOSA-N 0 3 298.430 2.919 20 30 CFEDHN CN(C)C(=O)C1(NCc2ccc(CC#N)cc2)CCCCC1 ZINC000451408894 331027971 /nfs/dbraw/zinc/02/79/71/331027971.db2.gz FRANUPGUPRACSB-UHFFFAOYSA-N 0 3 299.418 2.633 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@H]2CCCO[C@@H]21 ZINC000451476805 331030978 /nfs/dbraw/zinc/03/09/78/331030978.db2.gz GPKVJNBVNAGLSI-ZACQAIPSSA-N 0 3 269.388 2.831 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000451599485 331035786 /nfs/dbraw/zinc/03/57/86/331035786.db2.gz OFBFFNQFTXNMNN-WQVCFCJDSA-N 0 3 288.391 2.509 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(F)c(F)c1 ZINC000451610707 331036902 /nfs/dbraw/zinc/03/69/02/331036902.db2.gz ZFXNAPNCCCYNCV-FZQKWOKYSA-N 0 3 253.292 2.959 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)cc2c1OCOC2 ZINC000451682659 331038973 /nfs/dbraw/zinc/03/89/73/331038973.db2.gz SANVBTBMVPJIFH-CABCVRRESA-N 0 3 293.338 2.515 20 30 CFEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccccc3)CC[C@@H]2C1 ZINC000451700570 331039492 /nfs/dbraw/zinc/03/94/92/331039492.db2.gz OANVWWQUXQUBCB-FGTMMUONSA-N 0 3 269.388 2.521 20 30 CFEDHN Cc1cccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000452068131 331052835 /nfs/dbraw/zinc/05/28/35/331052835.db2.gz BCOKVKSWKADNEA-YOEHRIQHSA-N 0 3 287.407 2.700 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(C)c1 ZINC000452087784 331053678 /nfs/dbraw/zinc/05/36/78/331053678.db2.gz OHJHNJGZPPODFB-CABCVRRESA-N 0 3 287.407 2.654 20 30 CFEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)C1CC(C)(C)C1 ZINC000452107988 331054500 /nfs/dbraw/zinc/05/45/00/331054500.db2.gz ULBLKFYTBUTXDL-QGZVFWFLSA-N 0 3 293.455 2.940 20 30 CFEDHN CC(C)CCn1nc(CNC(=O)C(C)C#N)c2ccccc21 ZINC000452803347 331078297 /nfs/dbraw/zinc/07/82/97/331078297.db2.gz XHNJEZBHAQJVEX-CYBMUJFWSA-N 0 3 298.390 2.858 20 30 CFEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(F)F ZINC000452882104 331079940 /nfs/dbraw/zinc/07/99/40/331079940.db2.gz XXYJGZZRGPVYHW-AAEUAGOBSA-N 0 3 280.318 2.919 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccccc1N(C)C ZINC000453345748 331119943 /nfs/dbraw/zinc/11/99/43/331119943.db2.gz GHWCIMUPJHZRRK-BJJXKVORSA-N 0 3 260.381 2.747 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(F)cc(F)c1 ZINC000453348650 331120375 /nfs/dbraw/zinc/12/03/75/331120375.db2.gz HUKKLQLCQBSFRQ-FZQKWOKYSA-N 0 3 253.292 2.959 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453376700 331124941 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C=C[C@@H]1CCCCN1C[C@H](O)COCc1cccs1 ZINC000489424781 332051410 /nfs/dbraw/zinc/05/14/10/332051410.db2.gz KPCOCRPGAKDANS-KGLIPLIRSA-N 0 3 281.421 2.666 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1cccc(C)c1 ZINC000489427214 332051422 /nfs/dbraw/zinc/05/14/22/332051422.db2.gz LZVRDMPXPAMBJR-HOTGVXAUSA-N 0 3 275.392 2.775 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000490205986 332084633 /nfs/dbraw/zinc/08/46/33/332084633.db2.gz VOMNPAQUCKCZJX-SNPRPXQTSA-N 0 3 256.349 2.989 20 30 CFEDHN C=C(C)CN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000490939495 332131518 /nfs/dbraw/zinc/13/15/18/332131518.db2.gz VUGHLSDJFWXVNT-ZDUSSCGKSA-N 0 3 268.401 2.799 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2(CC)CCCCC2)CC1 ZINC000490985731 332136161 /nfs/dbraw/zinc/13/61/61/332136161.db2.gz NKQHBBXSFZJZMS-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C#CCN(CC(OCC)OCC)C1CCCCC1 ZINC000491013495 332138647 /nfs/dbraw/zinc/13/86/47/332138647.db2.gz JRRKZQHMALIPSZ-UHFFFAOYSA-N 0 3 253.386 2.653 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](O)c1cccc2ccccc21 ZINC000491068342 332144917 /nfs/dbraw/zinc/14/49/17/332144917.db2.gz OEVJICQGJZVRGR-GUYCJALGSA-N 0 3 253.345 2.827 20 30 CFEDHN C#CCN(CCC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000491073006 332147227 /nfs/dbraw/zinc/14/72/27/332147227.db2.gz WYUFWMJIOQNKTQ-UHFFFAOYSA-N 0 3 293.370 2.546 20 30 CFEDHN C#C[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccc(Cl)cc1F ZINC000491096666 332149166 /nfs/dbraw/zinc/14/91/66/332149166.db2.gz VHEFGZKEBXWVTA-KGLIPLIRSA-N 0 3 296.773 2.610 20 30 CFEDHN C#CCN(CC)C[C@H](O)c1cccc2ccccc21 ZINC000491120698 332152149 /nfs/dbraw/zinc/15/21/49/332152149.db2.gz MTCHRMCTAIZZCW-KRWDZBQOSA-N 0 3 253.345 2.828 20 30 CFEDHN C#CCNC(=O)CCN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000491122342 332152843 /nfs/dbraw/zinc/15/28/43/332152843.db2.gz WCCMXYLMWMZXGA-INIZCTEOSA-N 0 3 290.794 2.520 20 30 CFEDHN C#CCN(Cc1cc(C#N)n(C)c1)C1CCCCC1 ZINC000491287404 332181507 /nfs/dbraw/zinc/18/15/07/332181507.db2.gz MCFLWIWXAODAJZ-UHFFFAOYSA-N 0 3 255.365 2.665 20 30 CFEDHN 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CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccncc2C)CC1 ZINC000493254689 332432589 /nfs/dbraw/zinc/43/25/89/332432589.db2.gz JGQMAENCIUJKKZ-SNAWJCMRSA-N 0 3 299.418 2.560 20 30 CFEDHN Clc1ccccc1C#CCN[C@H]1CCO[C@H]1C1CC1 ZINC000494447585 332473657 /nfs/dbraw/zinc/47/36/57/332473657.db2.gz SBKDKOPEEKCOKJ-HOTGVXAUSA-N 0 3 275.779 2.849 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000177742215 333062482 /nfs/dbraw/zinc/06/24/82/333062482.db2.gz GGRFYLDDPSOJNA-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCCCN1CCN(c2cc(OC)ccn2)CC1 ZINC000517216471 333094875 /nfs/dbraw/zinc/09/48/75/333094875.db2.gz OGPIQNPBDRXRGR-UHFFFAOYSA-N 0 3 275.396 2.569 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2CCC(C)(C)CC2)CC1 ZINC000089314675 333096611 /nfs/dbraw/zinc/09/66/11/333096611.db2.gz DHHSSGYWYRQIFT-UHFFFAOYSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCOc1ccccc1CNC1CC(OCC)C1 ZINC000224391656 333220208 /nfs/dbraw/zinc/22/02/08/333220208.db2.gz UYNSHBRSBZJRAT-UHFFFAOYSA-N 0 3 261.365 2.909 20 30 CFEDHN C#C[C@@H](CC)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000229890787 333311055 /nfs/dbraw/zinc/31/10/55/333311055.db2.gz AOLZUJDHLDQPKX-NSHDSACASA-N 0 3 267.756 2.859 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCCc2ccc(O)cc21 ZINC000232477886 333337309 /nfs/dbraw/zinc/33/73/09/333337309.db2.gz RFNYHFYWXISEEG-MRXNPFEDSA-N 0 3 261.365 2.952 20 30 CFEDHN CCC(C#N)(CC)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000528929589 333465446 /nfs/dbraw/zinc/46/54/46/333465446.db2.gz PJIDDECRLTYQQC-CYBMUJFWSA-N 0 3 279.428 2.505 20 30 CFEDHN C=C(C)CN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541952672 333803804 /nfs/dbraw/zinc/80/38/04/333803804.db2.gz VDQQLFRIRSPEQM-GFCCVEGCSA-N 0 3 259.271 2.905 20 30 CFEDHN CC[C@H](CC#N)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130987994 333892947 /nfs/dbraw/zinc/89/29/47/333892947.db2.gz BDWTXMQSZOGFTH-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000076007604 334066427 /nfs/dbraw/zinc/06/64/27/334066427.db2.gz VYOJXZBYWKMWKX-GFCCVEGCSA-N 0 3 254.374 2.552 20 30 CFEDHN C=CCN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134017855 334077518 /nfs/dbraw/zinc/07/75/18/334077518.db2.gz BXXIFWKKTIWSMJ-STQMWFEESA-N 0 3 268.401 2.798 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000076385449 334080173 /nfs/dbraw/zinc/08/01/73/334080173.db2.gz IXYJTLKAKMWHQW-JYJNAYRXSA-N 0 3 286.419 2.864 20 30 CFEDHN CCN(CCC#N)C(=O)CN(CC1CCCCC1)C1CC1 ZINC000077211596 334099070 /nfs/dbraw/zinc/09/90/70/334099070.db2.gz GRQPUJWCLABQHC-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000077573224 334108931 /nfs/dbraw/zinc/10/89/31/334108931.db2.gz KFLZHMQUCFGLCV-LSDHHAIUSA-N 0 3 281.444 2.714 20 30 CFEDHN CCCCN(CC#Cc1ccccc1Cl)CCO ZINC000135040439 334113516 /nfs/dbraw/zinc/11/35/16/334113516.db2.gz CZZFVMGZFYLSQJ-UHFFFAOYSA-N 0 3 265.784 2.786 20 30 CFEDHN C=CCOCCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000547767604 334115818 /nfs/dbraw/zinc/11/58/18/334115818.db2.gz RKXWHMBBEUWIQR-CYBMUJFWSA-N 0 3 295.345 2.604 20 30 CFEDHN C=C(C)COCCNCc1cc(-c2ccccc2)n[nH]1 ZINC000136354871 334152573 /nfs/dbraw/zinc/15/25/73/334152573.db2.gz XTYKYONNXOXNFK-UHFFFAOYSA-N 0 3 271.364 2.759 20 30 CFEDHN Cc1ccc([C@H](CNCCC#N)N2CCCC2)cc1 ZINC000576272268 335180459 /nfs/dbraw/zinc/18/04/59/335180459.db2.gz UZIUICIMONNDRC-INIZCTEOSA-N 0 3 257.381 2.635 20 30 CFEDHN C=C(C)CCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000549119451 334185602 /nfs/dbraw/zinc/18/56/02/334185602.db2.gz VRGNTAPNWGUACG-UHFFFAOYSA-N 0 3 278.371 2.923 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550079874 334212419 /nfs/dbraw/zinc/21/24/19/334212419.db2.gz SGKIQEHAKDNSTP-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246203424 334240378 /nfs/dbraw/zinc/24/03/78/334240378.db2.gz WIKRTWXAXNETCM-DLTWYDFYSA-N 0 3 291.439 2.694 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000552214922 334304063 /nfs/dbraw/zinc/30/40/63/334304063.db2.gz VAWDDHUQFVMEJP-RYRKJORJSA-N 0 3 296.418 2.855 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000248830473 334319051 /nfs/dbraw/zinc/31/90/51/334319051.db2.gz HIOYCAPDAPZGHK-OUCADQQQSA-N 0 3 299.374 2.750 20 30 CFEDHN C=CCCC[C@H](C)N(C)CC(=O)NCc1ccccc1 ZINC000552814794 334346156 /nfs/dbraw/zinc/34/61/56/334346156.db2.gz MZVRYOSVCCLIRL-HNNXBMFYSA-N 0 3 274.408 2.979 20 30 CFEDHN C=CCCCCCNCc1ccc(C(=O)OC)o1 ZINC000565843759 334602859 /nfs/dbraw/zinc/60/28/59/334602859.db2.gz SUKHRVILLDPAKB-UHFFFAOYSA-N 0 3 251.326 2.902 20 30 CFEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(CC#N)cc1 ZINC000567269633 334699747 /nfs/dbraw/zinc/69/97/47/334699747.db2.gz PNWKGFCOWQHUMR-ZDUSSCGKSA-N 0 3 288.391 2.963 20 30 CFEDHN CCN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000157419081 334770001 /nfs/dbraw/zinc/77/00/01/334770001.db2.gz YALGYKUKYFSGLY-UHFFFAOYSA-N 0 3 287.407 2.507 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(CC#N)cc2)[C@H]1SC ZINC000573250875 334921516 /nfs/dbraw/zinc/92/15/16/334921516.db2.gz IQECMZIOIDSXPC-ARFHVFGLSA-N 0 3 290.432 2.751 20 30 CFEDHN CCO[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C12CCCC2 ZINC000576302163 335187069 /nfs/dbraw/zinc/18/70/69/335187069.db2.gz OIJPNTOCSNWRPM-QLFBSQMISA-N 0 3 275.396 2.757 20 30 CFEDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC1(C#N)CC1 ZINC000576450173 335204529 /nfs/dbraw/zinc/20/45/29/335204529.db2.gz BQEUHRLNLZOQII-LBPRGKRZSA-N 0 3 273.336 2.809 20 30 CFEDHN Cc1ncccc1CNCc1ccc(CC#N)cc1 ZINC000576465810 335207397 /nfs/dbraw/zinc/20/73/97/335207397.db2.gz MRDPYLOTKXEDMK-UHFFFAOYSA-N 0 3 251.333 2.746 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000192504593 335266677 /nfs/dbraw/zinc/26/66/77/335266677.db2.gz ZHDVEZQIMHWOSW-ZWKOTPCHSA-N 0 3 299.418 2.782 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C)[C@@H]2C)CC1 ZINC000176497635 335288960 /nfs/dbraw/zinc/28/89/60/335288960.db2.gz MGYFVNACCAMHAT-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1c(F)cccc1NC(=O)CCNCC1(CC#N)CC1 ZINC000577056444 335292117 /nfs/dbraw/zinc/29/21/17/335292117.db2.gz ASQUVERVTOBNLE-UHFFFAOYSA-N 0 3 289.354 2.746 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1cc2c(s1)CCCC2 ZINC000347350797 335376312 /nfs/dbraw/zinc/37/63/12/335376312.db2.gz XGBPKRRZEFAMPK-LLVKDONJSA-N 0 3 278.421 2.580 20 30 CFEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)nc1 ZINC000577637426 335384246 /nfs/dbraw/zinc/38/42/46/335384246.db2.gz VNKGTSVESTUYDM-MRXNPFEDSA-N 0 3 293.370 2.779 20 30 CFEDHN O[C@@H](CNCC#Cc1cccc(F)c1)CC1CCCC1 ZINC000577842746 335409781 /nfs/dbraw/zinc/40/97/81/335409781.db2.gz BLVMNLLKDYTOCO-QGZVFWFLSA-N 0 3 275.367 2.708 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc2c(c1)CCC(=O)N2 ZINC000180017875 335541562 /nfs/dbraw/zinc/54/15/62/335541562.db2.gz JCXMDMIRRJLJCW-LLVKDONJSA-N 0 3 257.337 2.526 20 30 CFEDHN CC[C@H](NCC(=O)N(CC)CCC#N)c1ccc(C)cc1 ZINC000181676612 335778073 /nfs/dbraw/zinc/77/80/73/335778073.db2.gz BQZJSLXFRNXFAZ-INIZCTEOSA-N 0 3 287.407 2.798 20 30 CFEDHN N#CCC1(CNC[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000581306235 336044405 /nfs/dbraw/zinc/04/44/05/336044405.db2.gz WWGGAIJXKLNYCR-AWEZNQCLSA-N 0 3 278.783 2.527 20 30 CFEDHN C=CCCCCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000581320357 336048533 /nfs/dbraw/zinc/04/85/33/336048533.db2.gz BABCJFXYUAYYAH-HNNXBMFYSA-N 0 3 260.381 2.592 20 30 CFEDHN C=CCCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000581560628 336103446 /nfs/dbraw/zinc/10/34/46/336103446.db2.gz IRYQLFUSZFYTNJ-UHFFFAOYSA-N 0 3 278.371 2.923 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1CC ZINC001085573963 782106973 /nfs/dbraw/zinc/10/69/73/782106973.db2.gz KJQCSAGXRVQPHW-ZDUSSCGKSA-N 0 3 276.380 2.564 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636258 782121055 /nfs/dbraw/zinc/12/10/55/782121055.db2.gz MKURDIBYBFLXSB-CQSZACIVSA-N 0 3 287.407 2.615 20 30 CFEDHN CCOC[C@H](NCc1cccc(C#N)c1F)C(C)C ZINC000233779372 520150596 /nfs/dbraw/zinc/15/05/96/520150596.db2.gz DOKFKBCYRQBIJE-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085709104 782139444 /nfs/dbraw/zinc/13/94/44/782139444.db2.gz YXKWTLOULANIRC-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085710030 782138532 /nfs/dbraw/zinc/13/85/32/782138532.db2.gz WRIOOTGQUFABHH-OAHLLOKOSA-N 0 3 290.407 2.927 20 30 CFEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCC2CC2)cc1 ZINC001085757798 782153134 /nfs/dbraw/zinc/15/31/34/782153134.db2.gz RJHZZDISSQFVKE-GOSISDBHSA-N 0 3 296.414 2.614 20 30 CFEDHN N#C[C@H]1CC[C@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000442818987 500676097 /nfs/dbraw/zinc/67/60/97/500676097.db2.gz AHXDRUOJYSQMPY-JQWIXIFHSA-N 0 3 299.296 2.761 20 30 CFEDHN COc1cc(CNC[C@@H](CC(C)C)OC)ccc1C#N ZINC000418092295 533877792 /nfs/dbraw/zinc/87/77/92/533877792.db2.gz HORYMIHFQXQMLL-OAHLLOKOSA-N 0 3 276.380 2.718 20 30 CFEDHN Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000334743310 533885171 /nfs/dbraw/zinc/88/51/71/533885171.db2.gz RMGFMIBJSRKAAE-FZMZJTMJSA-N 0 3 260.312 2.957 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349591774 534281560 /nfs/dbraw/zinc/28/15/60/534281560.db2.gz VHEPOPIJRSYKFA-BYCMXARLSA-N 0 3 290.338 2.664 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(F)cc1Br ZINC000334694035 534281860 /nfs/dbraw/zinc/28/18/60/534281860.db2.gz HTPPMJKFMXHGOS-MRVPVSSYSA-N 0 3 299.143 2.706 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000352707292 534284207 /nfs/dbraw/zinc/28/42/07/534284207.db2.gz QXJHFODKZYSKHK-GHMZBOCLSA-N 0 3 269.304 2.678 20 30 CFEDHN CC(C)CCN(CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000340811605 519651706 /nfs/dbraw/zinc/65/17/06/519651706.db2.gz RQVPBOZPJZUNIG-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN CC(C)N(Cc1cc(C#N)cs1)[C@@H]1CCOC1 ZINC000361064981 519653259 /nfs/dbraw/zinc/65/32/59/519653259.db2.gz HMWKIIHZJFCHIR-GFCCVEGCSA-N 0 3 250.367 2.619 20 30 CFEDHN C=C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000268723921 534464874 /nfs/dbraw/zinc/46/48/74/534464874.db2.gz WHYRRECQSPLDAM-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN CC(C)n1ncc2c1C[C@@H](NCc1ccc(C#N)o1)CC2 ZINC000365129477 520070971 /nfs/dbraw/zinc/07/09/71/520070971.db2.gz ADSBZZNIXCDWTB-ZDUSSCGKSA-N 0 3 284.363 2.576 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192026249 520115743 /nfs/dbraw/zinc/11/57/43/520115743.db2.gz FLUUTNJTZISYQZ-CQSZACIVSA-N 0 3 276.355 2.946 20 30 CFEDHN CC1(C)C[C@H](O)CCN(Cc2cccc(C#N)c2)C1 ZINC000336235523 520560122 /nfs/dbraw/zinc/56/01/22/520560122.db2.gz AEYMXSPQKHTCHM-OAHLLOKOSA-N 0 3 258.365 2.541 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000226266587 520575900 /nfs/dbraw/zinc/57/59/00/520575900.db2.gz BLZPNBSVONXISQ-STQMWFEESA-N 0 3 264.394 2.913 20 30 CFEDHN CN(C)Cc1cccc(CNC(=O)c2sccc2C#N)c1 ZINC000052034763 521924102 /nfs/dbraw/zinc/92/41/02/521924102.db2.gz NJTKILWBWVYULU-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN COc1cc(CNC[C@@H]2CCCS2)ccc1C#N ZINC000234915304 522457920 /nfs/dbraw/zinc/45/79/20/522457920.db2.gz IJIJZJFTICRZON-ZDUSSCGKSA-N 0 3 262.378 2.552 20 30 CFEDHN CC[C@H](NCc1cc(C#N)cs1)[C@@H]1CCCO1 ZINC000119662549 522638362 /nfs/dbraw/zinc/63/83/62/522638362.db2.gz BYDOXNFDMNEOGY-STQMWFEESA-N 0 3 250.367 2.667 20 30 CFEDHN N#CCC[C@@H](NC1CCC(O)CC1)c1ccccc1 ZINC000353628624 534656414 /nfs/dbraw/zinc/65/64/14/534656414.db2.gz BFDFJPVSIPZGAJ-UYSNPLJNSA-N 0 3 258.365 2.925 20 30 CFEDHN CC[C@H](O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305852834 522804270 /nfs/dbraw/zinc/80/42/70/522804270.db2.gz VEFOEWBRSSBKQF-MFKMUULPSA-N 0 3 250.317 2.509 20 30 CFEDHN CN(CCNc1cc(C#N)c2ccccc2n1)C1CC1 ZINC000070078970 522869458 /nfs/dbraw/zinc/86/94/58/522869458.db2.gz WXZNGIJNYQDTPO-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@H]1CCCC[C@H]1O ZINC000305853581 523168517 /nfs/dbraw/zinc/16/85/17/523168517.db2.gz VSFNIDBDJYCEGH-TZMCWYRMSA-N 0 3 264.394 2.603 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCOC1 ZINC000192015151 523208310 /nfs/dbraw/zinc/20/83/10/523208310.db2.gz NLBBSOAILDRMPE-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H]1C1CC1 ZINC000366583593 523523654 /nfs/dbraw/zinc/52/36/54/523523654.db2.gz ZRMLRXNKBASNSE-HNNXBMFYSA-N 0 3 256.349 2.941 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000363673723 523597170 /nfs/dbraw/zinc/59/71/70/523597170.db2.gz LRJLYCIJPTYIFK-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@H]1CC[C@@H](C)C1 ZINC000361644895 523741098 /nfs/dbraw/zinc/74/10/98/523741098.db2.gz BUQLQFVCFIRYGP-HIFRSBDPSA-N 0 3 275.396 2.534 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000227829723 523760583 /nfs/dbraw/zinc/76/05/83/523760583.db2.gz IFBKUQBFQMLNQC-VXGBXAGGSA-N 0 3 250.367 2.523 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000358193446 523811754 /nfs/dbraw/zinc/81/17/54/523811754.db2.gz QXPKUUSSWAXXOB-ZBFHGGJFSA-N 0 3 276.355 2.991 20 30 CFEDHN CC[C@H](C)CN(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000361352523 523878181 /nfs/dbraw/zinc/87/81/81/523878181.db2.gz QASYWYOQHSXPHQ-AWEZNQCLSA-N 0 3 287.407 2.542 20 30 CFEDHN CN1CC[C@@H](CNc2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000361155470 523957217 /nfs/dbraw/zinc/95/72/17/523957217.db2.gz WMQHFUPXNCMXII-XJKSGUPXSA-N 0 3 298.415 2.542 20 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20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC1CCC1 ZINC000061457786 526162309 /nfs/dbraw/zinc/16/23/09/526162309.db2.gz GJPZQMXGOSVSTD-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)CC2CCN(C)CC2)c1 ZINC000335118547 526182247 /nfs/dbraw/zinc/18/22/47/526182247.db2.gz UOZHNCPSSBBPFP-UHFFFAOYSA-N 0 3 271.364 2.537 20 30 CFEDHN CC(C)(C)N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000347044199 526278513 /nfs/dbraw/zinc/27/85/13/526278513.db2.gz DOCADJGLXMLLLV-UHFFFAOYSA-N 0 3 299.418 2.850 20 30 CFEDHN C=CCN1CCC(NC(=O)CC[C@@H](C)CC)CC1 ZINC000352268671 526420170 /nfs/dbraw/zinc/42/01/70/526420170.db2.gz AQPLJHHHPYCWEQ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)CC[C@H](C)CC)CC1 ZINC000352268670 526422160 /nfs/dbraw/zinc/42/21/60/526422160.db2.gz AQPLJHHHPYCWEQ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CCN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000352013744 526440236 /nfs/dbraw/zinc/44/02/36/526440236.db2.gz KIRRJUDBQXFWSO-UHFFFAOYSA-N 0 3 277.364 2.830 20 30 CFEDHN 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CFEDHN CO[C@H](CNCc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000744449208 574075065 /nfs/dbraw/zinc/07/50/65/574075065.db2.gz SPSVETFFEMZRDY-CZUORRHYSA-N 0 3 276.380 2.738 20 30 CFEDHN CC(C)N1CC(N=Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000754254687 574084407 /nfs/dbraw/zinc/08/44/07/574084407.db2.gz OPGKRJMQUYLLNR-NSHDSACASA-N 0 3 276.340 2.723 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000754255734 574084742 /nfs/dbraw/zinc/08/47/42/574084742.db2.gz RRQSKXCJRSYMRC-LLVKDONJSA-N 0 3 276.340 2.723 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000754262033 574085025 /nfs/dbraw/zinc/08/50/25/574085025.db2.gz XUALLHNUVODTTL-GFCCVEGCSA-N 0 3 256.353 2.686 20 30 CFEDHN CCCCCCCC(=O)N(C)CCN1CCCC1 ZINC000728550563 574100416 /nfs/dbraw/zinc/10/04/16/574100416.db2.gz PCIJUWUEHZXALS-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN C[C@@H](CC#N)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000731485124 574121820 /nfs/dbraw/zinc/12/18/20/574121820.db2.gz YILFOGBMLZMRNJ-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN CN(C1CCCC1)C(C)(C)C(=O)OCCCCC#N ZINC000754870485 574126278 /nfs/dbraw/zinc/12/62/78/574126278.db2.gz BISQZRQBRFRSNB-UHFFFAOYSA-N 0 3 266.385 2.876 20 30 CFEDHN CCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746172747 574139113 /nfs/dbraw/zinc/13/91/13/574139113.db2.gz GHICNNHGJMUWHI-NSHDSACASA-N 0 3 287.388 2.814 20 30 CFEDHN C#CCNC(=O)CN(CC(C)C)[C@@H](CC)c1ccccc1 ZINC000732214282 574147130 /nfs/dbraw/zinc/14/71/30/574147130.db2.gz DHKQUEAVKAYOJB-KRWDZBQOSA-N 0 3 286.419 2.845 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1cccc2ncccc12 ZINC000752163867 574160402 /nfs/dbraw/zinc/16/04/02/574160402.db2.gz FKDQCIHZKXUVIO-NSHDSACASA-N 0 3 254.337 2.584 20 30 CFEDHN COc1ccc(CNCc2ccc3[nH]cnc3c2)cc1C#N ZINC000746733415 574164599 /nfs/dbraw/zinc/16/45/99/574164599.db2.gz GADRQWVKJSVXRM-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN COc1ccc(CNCc2ccc3nc[nH]c3c2)cc1C#N ZINC000746733415 574164602 /nfs/dbraw/zinc/16/46/02/574164602.db2.gz GADRQWVKJSVXRM-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN COc1ccc(CNCc2c(O)cccc2OC)cc1C#N ZINC000746733756 574164698 /nfs/dbraw/zinc/16/46/98/574164698.db2.gz IJQYYRYDICDLON-UHFFFAOYSA-N 0 3 298.342 2.571 20 30 CFEDHN Cc1ncc(C=CC(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899656 574177046 /nfs/dbraw/zinc/17/70/46/574177046.db2.gz AAYIJDPHQXKCPJ-IHVVCDCBSA-N 0 3 298.371 2.748 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCSCC1 ZINC000733052822 574184784 /nfs/dbraw/zinc/18/47/84/574184784.db2.gz HBNDKNNKQHOMBX-LBPRGKRZSA-N 0 3 299.399 2.893 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)C#Cc1ccccc1 ZINC000747377625 574193366 /nfs/dbraw/zinc/19/33/66/574193366.db2.gz QKLAVTLKKRACDG-SFHVURJKSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000755916516 574197811 /nfs/dbraw/zinc/19/78/11/574197811.db2.gz HZDGJHGUJJAYKB-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN Cc1ccc(N2CCN(C(=O)C(C)C#N)[C@@H](C)C2)cc1C ZINC000747923572 574220537 /nfs/dbraw/zinc/22/05/37/574220537.db2.gz ACBGWLUCXURFKL-GJZGRUSLSA-N 0 3 285.391 2.500 20 30 CFEDHN N#Cc1csc(CNCc2ccc3c(c2)CCO3)c1 ZINC000748099225 574229313 /nfs/dbraw/zinc/22/93/13/574229313.db2.gz IJUITFXBNXUIQZ-UHFFFAOYSA-N 0 3 270.357 2.844 20 30 CFEDHN C=CCOCC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000729890827 574235780 /nfs/dbraw/zinc/23/57/80/574235780.db2.gz QQWWOABYAYBLPM-CYBMUJFWSA-N 0 3 266.300 2.614 20 30 CFEDHN C[C@@H]1CC(=NNCC(F)F)CCN1Cc1ccccc1 ZINC000740616788 574258530 /nfs/dbraw/zinc/25/85/30/574258530.db2.gz TVGIORZUPIFTJY-GFCCVEGCSA-N 0 3 281.350 2.882 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000740735723 574264835 /nfs/dbraw/zinc/26/48/35/574264835.db2.gz NYFJJFKAOKPAPS-UHFFFAOYSA-N 0 3 298.430 2.613 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCc2ccccc2C)CC1 ZINC000740735716 574264951 /nfs/dbraw/zinc/26/49/51/574264951.db2.gz NNVUAKFGZBXZAH-UHFFFAOYSA-N 0 3 298.430 2.532 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC000740900731 574273805 /nfs/dbraw/zinc/27/38/05/574273805.db2.gz WAJLLHRKSRBJJA-AWEZNQCLSA-N 0 3 272.373 2.833 20 30 CFEDHN C=CCNC(=S)Nc1cc(CN(C)C)ccc1C ZINC000749013662 574276674 /nfs/dbraw/zinc/27/66/74/574276674.db2.gz SDPXVVMPJUOIGC-UHFFFAOYSA-N 0 3 263.410 2.529 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)[C@@H](O)c1cccc(F)c1 ZINC000749120799 574281137 /nfs/dbraw/zinc/28/11/37/574281137.db2.gz WZWUJYXFEZGUKP-SJKOYZFVSA-N 0 3 284.334 2.909 20 30 CFEDHN C=CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741330537 574287265 /nfs/dbraw/zinc/28/72/65/574287265.db2.gz OXCWKRVUQGKKJX-UHFFFAOYSA-N 0 3 259.349 2.628 20 30 CFEDHN CCCCCCCCOCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000741625781 574296881 /nfs/dbraw/zinc/29/68/81/574296881.db2.gz SMFWRMHFUIMKQQ-MRXNPFEDSA-N 0 3 298.471 2.916 20 30 CFEDHN CCOCCCN1CCC(=NOCC(C)C)[C@H](C)C1 ZINC000749625970 574303327 /nfs/dbraw/zinc/30/33/27/574303327.db2.gz KPPMRYQMEUMKHF-CQSZACIVSA-N 0 3 270.417 2.783 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@H](C)CC2CCCC2)CC1 ZINC000743491160 574306962 /nfs/dbraw/zinc/30/69/62/574306962.db2.gz CBYYGJYVIGUHLH-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206623 574316345 /nfs/dbraw/zinc/31/63/45/574316345.db2.gz MGUDXPMEMUJDTC-GJBLVYBDSA-N 0 3 286.331 2.699 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000735206174 574316449 /nfs/dbraw/zinc/31/64/49/574316449.db2.gz AKJNVPQPZXBQTJ-KADSFNECSA-N 0 3 256.305 2.690 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000735207229 574316499 /nfs/dbraw/zinc/31/64/99/574316499.db2.gz FVJAAMHZDFNSRF-KVEVGEHQSA-N 0 3 286.331 2.699 20 30 CFEDHN C#C[C@@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000744181063 574318428 /nfs/dbraw/zinc/31/84/28/574318428.db2.gz IPUUJDFTBMNPGP-CQSZACIVSA-N 0 3 271.360 2.851 20 30 CFEDHN C=CCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735412712 574322559 /nfs/dbraw/zinc/32/25/59/574322559.db2.gz JPRJONAWXFBRQU-UHFFFAOYSA-N 0 3 283.379 2.797 20 30 CFEDHN C=CCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735412712 574322560 /nfs/dbraw/zinc/32/25/60/574322560.db2.gz JPRJONAWXFBRQU-UHFFFAOYSA-N 0 3 283.379 2.797 20 30 CFEDHN C=CCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735412712 574322563 /nfs/dbraw/zinc/32/25/63/574322563.db2.gz JPRJONAWXFBRQU-UHFFFAOYSA-N 0 3 283.379 2.797 20 30 CFEDHN C=CCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735412712 574322564 /nfs/dbraw/zinc/32/25/64/574322564.db2.gz JPRJONAWXFBRQU-UHFFFAOYSA-N 0 3 283.379 2.797 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCCCCC)CC1 ZINC000743490502 574366818 /nfs/dbraw/zinc/36/68/18/574366818.db2.gz QKTPKPSJAJMRMW-UHFFFAOYSA-N 0 3 264.413 2.561 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC000743490483 574366916 /nfs/dbraw/zinc/36/69/16/574366916.db2.gz QEJNTMNTTAXFMZ-HNNXBMFYSA-N 0 3 278.440 2.663 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1CCCC2(C1)CCCCCC2 ZINC000743859858 574374513 /nfs/dbraw/zinc/37/45/13/574374513.db2.gz KNBWGGAEUWUZMU-HNNXBMFYSA-N 0 3 276.424 2.561 20 30 CFEDHN C[C@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000751927505 574385384 /nfs/dbraw/zinc/38/53/84/574385384.db2.gz ZDUCYJBOJZTEFT-ZDUSSCGKSA-N 0 3 266.348 2.864 20 30 CFEDHN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000753049535 574397950 /nfs/dbraw/zinc/39/79/50/574397950.db2.gz XPYDUKBBUNFABZ-GDBMZVCRSA-N 0 3 285.391 2.582 20 30 CFEDHN C#CCCN1CCC(NC(=O)CC2(C)CCCCC2)CC1 ZINC000753604454 574406201 /nfs/dbraw/zinc/40/62/01/574406201.db2.gz BIDHYNAIWMVEKA-UHFFFAOYSA-N 0 3 290.451 2.951 20 30 CFEDHN C=CCC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823894035 607682490 /nfs/dbraw/zinc/68/24/90/607682490.db2.gz FPPJRBTUSHXLQZ-OAHLLOKOSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823894035 607682492 /nfs/dbraw/zinc/68/24/92/607682492.db2.gz FPPJRBTUSHXLQZ-OAHLLOKOSA-N 0 3 283.379 2.701 20 30 CFEDHN C/C=C(/C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000990847332 620679010 /nfs/dbraw/zinc/67/90/10/620679010.db2.gz UVABROVUPKVPIN-BNNQUZSASA-N 0 3 297.402 2.605 20 30 CFEDHN CCCCCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000821056343 606695594 /nfs/dbraw/zinc/69/55/94/606695594.db2.gz OPBYIQVRAJIULD-UHFFFAOYSA-N 0 3 273.384 2.927 20 30 CFEDHN CCCCCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000821056343 606695595 /nfs/dbraw/zinc/69/55/95/606695595.db2.gz OPBYIQVRAJIULD-UHFFFAOYSA-N 0 3 273.384 2.927 20 30 CFEDHN C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC#N)CC1 ZINC000824762300 609428238 /nfs/dbraw/zinc/42/82/38/609428238.db2.gz FQECMDNCRCMOEN-LBPRGKRZSA-N 0 3 296.378 2.553 20 30 CFEDHN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC#N)CC1 ZINC000824762300 609428239 /nfs/dbraw/zinc/42/82/39/609428239.db2.gz FQECMDNCRCMOEN-LBPRGKRZSA-N 0 3 296.378 2.553 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)CC(C)(C)C2CCCCC2)C1 ZINC000970483030 612960402 /nfs/dbraw/zinc/96/04/02/612960402.db2.gz FIFJEDVMXKMFJJ-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cccc(C)c3s2)C1 ZINC000969131805 612965168 /nfs/dbraw/zinc/96/51/68/612965168.db2.gz BADGMIOHIYNMGL-CQSZACIVSA-N 0 3 298.411 2.647 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000981432559 613004696 /nfs/dbraw/zinc/00/46/96/613004696.db2.gz DTKYINWMHOAXNC-KRWDZBQOSA-N 0 3 288.435 2.681 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965760957 613023338 /nfs/dbraw/zinc/02/33/38/613023338.db2.gz IXXOKLODBRIQMT-WFASDCNBSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974722388 613031249 /nfs/dbraw/zinc/03/12/49/613031249.db2.gz PEUTZDSXCRCAEK-JKSUJKDBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974722386 613031441 /nfs/dbraw/zinc/03/14/41/613031441.db2.gz PEUTZDSXCRCAEK-HZPDHXFCSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000975083828 613033054 /nfs/dbraw/zinc/03/30/54/613033054.db2.gz AXGSPPGKHPZNBJ-QGZVFWFLSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972999439 613036799 /nfs/dbraw/zinc/03/67/99/613036799.db2.gz ZCGHWHGXRFEGHX-ZDUSSCGKSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973021347 613036855 /nfs/dbraw/zinc/03/68/55/613036855.db2.gz AWTNTUOJGCGHLO-INIZCTEOSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973039238 613036900 /nfs/dbraw/zinc/03/69/00/613036900.db2.gz HHCXYUDYUKOJJT-AWEZNQCLSA-N 0 3 292.398 2.634 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C(C)=C2CCCC2)CC1 ZINC000948286809 613161172 /nfs/dbraw/zinc/16/11/72/613161172.db2.gz VPLSTKZHVDIDQR-QGZVFWFLSA-N 0 3 288.435 2.823 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2c(C)cccc2C)CC1 ZINC000948799962 613162661 /nfs/dbraw/zinc/16/26/61/613162661.db2.gz BNYDXIWFSGBFKO-QGZVFWFLSA-N 0 3 298.430 2.863 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)c2c(C)cccc2C)CC1 ZINC000948799961 613178935 /nfs/dbraw/zinc/17/89/35/613178935.db2.gz BNYDXIWFSGBFKO-KRWDZBQOSA-N 0 3 298.430 2.863 20 30 CFEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCCCN2CC=C)cc1 ZINC000968980021 613180552 /nfs/dbraw/zinc/18/05/52/613180552.db2.gz OTZVSOSJQAPALW-GOSISDBHSA-N 0 3 296.414 2.828 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C)C[C@@H]1C ZINC000947970774 613232024 /nfs/dbraw/zinc/23/20/24/613232024.db2.gz BLFUXZZJGPFUDR-JKSUJKDBSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000943989859 613236598 /nfs/dbraw/zinc/23/65/98/613236598.db2.gz XTTHQXSMKXJNTN-MAUKXSAKSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C[C@H]1C ZINC000947400586 613256331 /nfs/dbraw/zinc/25/63/31/613256331.db2.gz ZAJNCPVSNOXZCZ-ZBFHGGJFSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@@H](C)C1 ZINC000943211576 613258924 /nfs/dbraw/zinc/25/89/24/613258924.db2.gz ZWOGYVOIVGHFSI-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000944700647 613264020 /nfs/dbraw/zinc/26/40/20/613264020.db2.gz LFNHJQZWBKOLLO-SJORKVTESA-N 0 3 298.430 2.685 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC000969977511 613298733 /nfs/dbraw/zinc/29/87/33/613298733.db2.gz YVPMKANCGBDMHJ-TUBUQKNSSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000970449872 613298964 /nfs/dbraw/zinc/29/89/64/613298964.db2.gz IUMSVNISSCSTPB-IIAWOOMASA-N 0 3 278.440 2.681 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC000970834441 613299979 /nfs/dbraw/zinc/29/99/79/613299979.db2.gz AAYWVPOELXOYFV-OAHLLOKOSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC000970132078 613300430 /nfs/dbraw/zinc/30/04/30/613300430.db2.gz VJGICMRUOXCEGO-CQSZACIVSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC000970462915 613300455 /nfs/dbraw/zinc/30/04/55/613300455.db2.gz WRRPREKTPUVHDX-CYBMUJFWSA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC000970331649 613300793 /nfs/dbraw/zinc/30/07/93/613300793.db2.gz KGRLYHORVPMMSX-GFCCVEGCSA-N 0 3 288.391 2.783 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccsc2C)C1 ZINC000969622829 613300874 /nfs/dbraw/zinc/30/08/74/613300874.db2.gz DNFRYYUJZPHFQT-LLVKDONJSA-N 0 3 278.421 2.683 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)cccc2F)C1 ZINC000970977678 613302642 /nfs/dbraw/zinc/30/26/42/613302642.db2.gz IAKSREBGBACAMX-ZDUSSCGKSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970312799 613303057 /nfs/dbraw/zinc/30/30/57/613303057.db2.gz LSSNNZZBAHPGOF-ZDUSSCGKSA-N 0 3 289.423 2.764 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccccc2C)C1 ZINC000969230795 613303595 /nfs/dbraw/zinc/30/35/95/613303595.db2.gz PRKLKNLXQILMBW-AWEZNQCLSA-N 0 3 272.392 2.621 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000981760211 613309158 /nfs/dbraw/zinc/30/91/58/613309158.db2.gz RUKLBBXNSOOWGQ-INIZCTEOSA-N 0 3 276.424 2.843 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964682502 613332840 /nfs/dbraw/zinc/33/28/40/613332840.db2.gz DQAAOMSBIIDKEM-HOCLYGCPSA-N 0 3 272.392 2.703 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967780526 613333559 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ZINC000940549597 613742874 /nfs/dbraw/zinc/74/28/74/613742874.db2.gz DHRZBQMCGBCBGM-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000941025766 613745457 /nfs/dbraw/zinc/74/54/57/613745457.db2.gz GSNHLZDEHFRYPW-DZGCQCFKSA-N 0 3 290.407 2.786 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940568901 613746458 /nfs/dbraw/zinc/74/64/58/613746458.db2.gz BIXUFHIPVQTJOA-LSDHHAIUSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C[C@@H]1C ZINC000947877924 613747893 /nfs/dbraw/zinc/74/78/93/613747893.db2.gz HODOHKLOVPRXJT-GXTWGEPZSA-N 0 3 287.407 2.661 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H](C)C1 ZINC000941954188 613749028 /nfs/dbraw/zinc/74/90/28/613749028.db2.gz BUBFFKKOVSUCAA-GXTWGEPZSA-N 0 3 276.380 2.523 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@H](C)C1 ZINC000944530437 613752750 /nfs/dbraw/zinc/75/27/50/613752750.db2.gz CRGKOIYXFJWPGV-CZUORRHYSA-N 0 3 299.418 2.585 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2ccc(CC)o2)C[C@@H]1C ZINC000947455229 613752802 /nfs/dbraw/zinc/75/28/02/613752802.db2.gz RIBPEQHJHHLKGQ-QWHCGFSZSA-N 0 3 276.380 2.611 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2conc2C(C)C)C[C@H]1C ZINC000947391111 613760013 /nfs/dbraw/zinc/76/00/13/613760013.db2.gz GQJXTEUYKQVXKH-CHWSQXEVSA-N 0 3 291.395 2.567 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2oc(C)cc2C)[C@H](C)C1 ZINC000941934345 613762298 /nfs/dbraw/zinc/76/22/98/613762298.db2.gz HDMDSSAFPLEPJG-TZMCWYRMSA-N 0 3 276.380 2.523 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2sc(C)cc2C)[C@H](C)C1 ZINC000942091082 613762844 /nfs/dbraw/zinc/76/28/44/613762844.db2.gz ISRHHSLTIJYTRM-TZMCWYRMSA-N 0 3 292.448 2.991 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000940845446 613782180 /nfs/dbraw/zinc/78/21/80/613782180.db2.gz ZGEILASLLGRZTQ-INIZCTEOSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000940832626 613783976 /nfs/dbraw/zinc/78/39/76/613783976.db2.gz ZWWUWCUFTGAOKY-GJZGRUSLSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000941025770 613784023 /nfs/dbraw/zinc/78/40/23/613784023.db2.gz GSNHLZDEHFRYPW-ZFWWWQNUSA-N 0 3 290.407 2.786 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H](C)C1 ZINC000943030440 613787690 /nfs/dbraw/zinc/78/76/90/613787690.db2.gz XLUCDMGESZDEAD-CJNGLKHVSA-N 0 3 290.382 2.760 20 30 CFEDHN C=CCN1C[C@H](NC(=O)Cc2ccc(C)cc2)C(C)(C)C1 ZINC000974787031 613827009 /nfs/dbraw/zinc/82/70/09/613827009.db2.gz CQSZWPAUDNLATG-INIZCTEOSA-N 0 3 286.419 2.550 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C1CCCCC1 ZINC000961983107 613837154 /nfs/dbraw/zinc/83/71/54/613837154.db2.gz UUMHYTYSRRUEOI-ZSHCYNCHSA-N 0 3 290.451 2.825 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(C)(C)C)c1 ZINC000962100939 613842292 /nfs/dbraw/zinc/84/22/92/613842292.db2.gz PHFPMFREYKGBAU-FVQHAEBGSA-N 0 3 298.430 2.830 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C(C)C ZINC000960193879 613843212 /nfs/dbraw/zinc/84/32/12/613843212.db2.gz VTQFMCKGXCTBAU-FVQHAEBGSA-N 0 3 284.403 2.656 20 30 CFEDHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccoc1C ZINC000960246749 613871461 /nfs/dbraw/zinc/87/14/61/613871461.db2.gz OFCCPIJFGRLBEB-IAGOWNOFSA-N 0 3 296.370 2.759 20 30 CFEDHN CC(C)C(=O)N1C[C@H](CNCc2ccccc2C#N)C[C@@H]1C ZINC000980388568 613895782 /nfs/dbraw/zinc/89/57/82/613895782.db2.gz RWIDNBNCWLGFAZ-GJZGRUSLSA-N 0 3 299.418 2.541 20 30 CFEDHN CC(C)CC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000970979796 613998166 /nfs/dbraw/zinc/99/81/66/613998166.db2.gz SAFYHGUTKULLQZ-QGZVFWFLSA-N 0 3 299.418 2.637 20 30 CFEDHN CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000960628541 616170044 /nfs/dbraw/zinc/17/00/44/616170044.db2.gz WQPJYCKNDDJZDS-GOSISDBHSA-N 0 3 296.414 2.523 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](C)C[C@@H](C)O ZINC000778169499 617807334 /nfs/dbraw/zinc/80/73/34/617807334.db2.gz UFCFHWMGDHGNMU-QWHCGFSZSA-N 0 3 295.810 2.849 20 30 CFEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493753 618028575 /nfs/dbraw/zinc/02/85/75/618028575.db2.gz VWMUCHDCOJTSQJ-SJORKVTESA-N 0 3 288.435 2.513 20 30 CFEDHN N#Cc1ccc([C@H](O)CNCc2ccc(F)c(F)c2)cc1 ZINC000049577620 617614508 /nfs/dbraw/zinc/61/45/08/617614508.db2.gz YGFPEWMLMIKKBI-MRXNPFEDSA-N 0 3 288.297 2.660 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000900982624 620739412 /nfs/dbraw/zinc/73/94/12/620739412.db2.gz WODIPNDAIRIIIB-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001020554924 617703235 /nfs/dbraw/zinc/70/32/35/617703235.db2.gz ZYKVZAJNXUFWIQ-SYQHCUMBSA-N 0 3 284.831 2.802 20 30 CFEDHN N#Cc1ccc(CNCc2ccccc2O)c(F)c1 ZINC000134424396 617726731 /nfs/dbraw/zinc/72/67/31/617726731.db2.gz PIWBXDNPWFHMAN-UHFFFAOYSA-N 0 3 256.280 2.693 20 30 CFEDHN C#C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000890647281 617732338 /nfs/dbraw/zinc/73/23/38/617732338.db2.gz CUEBHNHVJUHYRI-GOSISDBHSA-N 0 3 296.414 2.910 20 30 CFEDHN C=CCN(C)C[C@H](O)c1ccc(Br)cc1 ZINC000121600028 617780431 /nfs/dbraw/zinc/78/04/31/617780431.db2.gz IOOUJNRVRWWGJS-LBPRGKRZSA-N 0 3 270.170 2.600 20 30 CFEDHN CCN(CC)c1ccc(C=NNCCOC(C)C)cc1 ZINC000778554039 617865047 /nfs/dbraw/zinc/86/50/47/617865047.db2.gz KCCMTLCOYXHOIH-UHFFFAOYSA-N 0 3 277.412 2.881 20 30 CFEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@@H]2CO)cc1 ZINC000934022422 617869122 /nfs/dbraw/zinc/86/91/22/617869122.db2.gz XCGJAGAIACKRHP-QGZVFWFLSA-N 0 3 278.355 2.792 20 30 CFEDHN COC(=O)C[C@H](NCC#Cc1ccc(F)cc1)C(C)(C)C ZINC000934030806 617871518 /nfs/dbraw/zinc/87/15/18/617871518.db2.gz HFAMBLNIHQHWLF-HNNXBMFYSA-N 0 3 291.366 2.745 20 30 CFEDHN COC(=O)C[C@H](NCC#Cc1ccccc1)C(C)(C)C ZINC000934033671 617872526 /nfs/dbraw/zinc/87/25/26/617872526.db2.gz OAZIEHBTHZOILO-HNNXBMFYSA-N 0 3 273.376 2.606 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001020977013 617874249 /nfs/dbraw/zinc/87/42/49/617874249.db2.gz DFVGHXKLKJZKNY-HDJSIYSDSA-N 0 3 292.810 2.906 20 30 CFEDHN Cc1cc(F)c(C#N)c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000891999657 617907853 /nfs/dbraw/zinc/90/78/53/617907853.db2.gz GRPTTYQBLPFBGI-NSHDSACASA-N 0 3 259.328 2.654 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001021101227 617940556 /nfs/dbraw/zinc/94/05/56/617940556.db2.gz XRVLFCRKSSWTCR-HGSUQPQSSA-N 0 3 296.842 2.802 20 30 CFEDHN C[NH+](C)C1(C/N=C\c2cc(Cl)ccc2[O-])CCOCC1 ZINC000255107185 617961605 /nfs/dbraw/zinc/96/16/05/617961605.db2.gz ZHPKBJIUGPRWJX-YVLHZVERSA-N 0 3 296.798 2.575 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1CCOC12CCCC2 ZINC000934386716 618026531 /nfs/dbraw/zinc/02/65/31/618026531.db2.gz PMALCRUGCOJPTH-INIZCTEOSA-N 0 3 286.375 2.758 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]2CCOC23CCCC3)c1 ZINC000934396066 618029002 /nfs/dbraw/zinc/02/90/02/618029002.db2.gz LRLIEAAGKFMLGS-HNNXBMFYSA-N 0 3 274.339 2.889 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001022910771 618120334 /nfs/dbraw/zinc/12/03/34/618120334.db2.gz HHYGMUJBICQPMJ-LJISPDSOSA-N 0 3 296.842 2.802 20 30 CFEDHN CCN1CCCN(c2ccc(C#N)cc2Cl)CC1 ZINC000307899908 618127583 /nfs/dbraw/zinc/12/75/83/618127583.db2.gz QXBKPHPOBUFNJY-UHFFFAOYSA-N 0 3 263.772 2.744 20 30 CFEDHN C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021723275 618129433 /nfs/dbraw/zinc/12/94/33/618129433.db2.gz SYIBLFKZXMNPQB-ZWKOTPCHSA-N 0 3 296.414 2.555 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000255236993 618135470 /nfs/dbraw/zinc/13/54/70/618135470.db2.gz QRKIABPVILZNTD-GIJLIJJLSA-N 0 3 288.391 2.977 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001023020461 618147733 /nfs/dbraw/zinc/14/77/33/618147733.db2.gz DFVGHXKLKJZKNY-OKILXGFUSA-N 0 3 292.810 2.906 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(Br)cn1 ZINC000309517357 618177532 /nfs/dbraw/zinc/17/75/32/618177532.db2.gz YZPLAIRKWSFIPH-SNVBAGLBSA-N 0 3 299.237 2.861 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001023290739 618178450 /nfs/dbraw/zinc/17/84/50/618178450.db2.gz AUOUIBHXPHOEJS-CQSZACIVSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001023380440 618186069 /nfs/dbraw/zinc/18/60/69/618186069.db2.gz ZFHKELFOKUNQKU-HRCADAONSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001023388586 618186683 /nfs/dbraw/zinc/18/66/83/618186683.db2.gz NELQRKRAJNHBHW-IRXDYDNUSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001023388589 618186779 /nfs/dbraw/zinc/18/67/79/618186779.db2.gz NELQRKRAJNHBHW-SJORKVTESA-N 0 3 288.435 2.584 20 30 CFEDHN C=C1CCC(CNC(=O)N(CCN(C)C)C(C)C)CC1 ZINC000926537064 618187873 /nfs/dbraw/zinc/18/78/73/618187873.db2.gz JRKIUIBUCRLGBV-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)c2ccccc2CCC)C1 ZINC001023480080 618192568 /nfs/dbraw/zinc/19/25/68/618192568.db2.gz ZLQVZDJTGSXJHK-INIZCTEOSA-N 0 3 298.430 2.714 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2c(F)cccc2F)CCC1 ZINC000933300701 618194321 /nfs/dbraw/zinc/19/43/21/618194321.db2.gz CABYYFSCBHQRIS-NSHDSACASA-N 0 3 292.329 2.827 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)CCC1 ZINC000933300292 618194544 /nfs/dbraw/zinc/19/45/44/618194544.db2.gz XLOKQIMSHNMASP-LLVKDONJSA-N 0 3 291.782 2.598 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)CCC1 ZINC000933301542 618194918 /nfs/dbraw/zinc/19/49/18/618194918.db2.gz PAJGKDNDSJKVIB-LLVKDONJSA-N 0 3 292.329 2.827 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccccc2CC)C1 ZINC001023555005 618199406 /nfs/dbraw/zinc/19/94/06/618199406.db2.gz SMFPSAFMUCDEQP-MRXNPFEDSA-N 0 3 298.430 2.714 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001022074433 618212482 /nfs/dbraw/zinc/21/24/82/618212482.db2.gz BDDMMPGPHLCEIE-MCIONIFRSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(Br)CN[C@@H](C)c1cc(OC)ccc1O ZINC000162224554 618214151 /nfs/dbraw/zinc/21/41/51/618214151.db2.gz FCQFVIVBPGTWRU-VIFPVBQESA-N 0 3 286.169 2.960 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023714475 618216178 /nfs/dbraw/zinc/21/61/78/618216178.db2.gz NHVKRORZVCJQNQ-ULQDDVLXSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC001023720976 618216594 /nfs/dbraw/zinc/21/65/94/618216594.db2.gz YNOQJRAQPYYXHW-LBPRGKRZSA-N 0 3 294.345 2.593 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001022122192 618221536 /nfs/dbraw/zinc/22/15/36/618221536.db2.gz QVPLUBIVMGZOAZ-ZRJCITRHSA-N 0 3 284.831 2.802 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC001023775788 618224954 /nfs/dbraw/zinc/22/49/54/618224954.db2.gz HITPBRCKVMPAPD-CQSZACIVSA-N 0 3 296.370 2.508 20 30 CFEDHN C=CCOCCN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000312329634 618247450 /nfs/dbraw/zinc/24/74/50/618247450.db2.gz BFQZZMSKIIFBFV-CQSZACIVSA-N 0 3 271.364 2.726 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@](C)(OC)C1 ZINC000793218201 618250504 /nfs/dbraw/zinc/25/05/04/618250504.db2.gz PXCQPDAJJALMGP-QGZVFWFLSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893284378 618250962 /nfs/dbraw/zinc/25/09/62/618250962.db2.gz QQNGOBYQOULCJH-SNVBAGLBSA-N 0 3 284.743 2.522 20 30 CFEDHN Fc1cc(F)c(N=NC2CCN3CCC[C@H]23)c(F)c1 ZINC000901321225 620791130 /nfs/dbraw/zinc/79/11/30/620791130.db2.gz RHONJENEZVUDNV-GFCCVEGCSA-N 0 3 269.270 2.740 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008323462 618288335 /nfs/dbraw/zinc/28/83/35/618288335.db2.gz QFORUOZEWVYQFI-AWEZNQCLSA-N 0 3 288.391 2.927 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426224 618312052 /nfs/dbraw/zinc/31/20/52/618312052.db2.gz XGAGIKFMURICJB-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426223 618312260 /nfs/dbraw/zinc/31/22/60/618312260.db2.gz XGAGIKFMURICJB-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccncc1C ZINC001024427781 618314416 /nfs/dbraw/zinc/31/44/16/618314416.db2.gz OMCVEAPAPMXZQZ-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](CC)C(=O)OC ZINC000895119864 618326509 /nfs/dbraw/zinc/32/65/09/618326509.db2.gz GAFXUZIKCGQXMX-ZDUSSCGKSA-N 0 3 277.364 2.540 20 30 CFEDHN C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159040 618405747 /nfs/dbraw/zinc/40/57/47/618405747.db2.gz CAIYPNPWJAQHIZ-DZGCQCFKSA-N 0 3 290.407 2.713 20 30 CFEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159814 618407027 /nfs/dbraw/zinc/40/70/27/618407027.db2.gz IMVZKKMRVKQWHU-MJVIPROJSA-N 0 3 296.798 2.802 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024611699 618414991 /nfs/dbraw/zinc/41/49/91/618414991.db2.gz IJMGWFYZXSNNDM-FXUDXRNXSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638295 618427918 /nfs/dbraw/zinc/42/79/18/618427918.db2.gz TWCKRXSFLSFDJB-GPANFISMSA-N 0 3 294.414 2.509 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643824 618431039 /nfs/dbraw/zinc/43/10/39/618431039.db2.gz HVXSIKAWMUQQPR-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN CCCCCCC[C@H](C)N[C@@H](C)C1N=NC(=O)N1C ZINC000895175178 618432264 /nfs/dbraw/zinc/43/22/64/618432264.db2.gz ICODKNDHLIAPME-RYUDHWBXSA-N 0 3 268.405 2.920 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@H](C(F)(F)F)CC1 ZINC000877821546 618468590 /nfs/dbraw/zinc/46/85/90/618468590.db2.gz YNALTMATBIYXHJ-NSHDSACASA-N 0 3 278.318 2.970 20 30 CFEDHN C#CCCCN[C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000178058158 618621632 /nfs/dbraw/zinc/62/16/32/618621632.db2.gz OTTRJIGLOLLMBY-GFCCVEGCSA-N 0 3 286.354 2.779 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1c(C(F)(F)F)cnn1C ZINC000926742903 618623215 /nfs/dbraw/zinc/62/32/15/618623215.db2.gz UYWHMFPVFPICQK-VIFPVBQESA-N 0 3 288.317 2.857 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1nnc(C)s1)C(C)C ZINC000892552494 618629862 /nfs/dbraw/zinc/62/98/62/618629862.db2.gz XILIHQRCEVGIHD-CQSZACIVSA-N 0 3 294.468 2.635 20 30 CFEDHN Cc1csc(CCNCC#Cc2ccccc2)n1 ZINC000892552496 618630027 /nfs/dbraw/zinc/63/00/27/618630027.db2.gz XLKKBWLHRYCZBN-UHFFFAOYSA-N 0 3 256.374 2.635 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC12CC2 ZINC001017656376 618667533 /nfs/dbraw/zinc/66/75/33/618667533.db2.gz NBOBTHOFONCZIC-XHSDSOJGSA-N 0 3 288.435 2.818 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1ccnc(-c2ccccn2)n1 ZINC000926854237 618756455 /nfs/dbraw/zinc/75/64/55/618756455.db2.gz MRNDFOCZDGCEEP-CYBMUJFWSA-N 0 3 295.390 2.957 20 30 CFEDHN C=CCCCN(CC)C(=O)NC1CCN(CC=C)CC1 ZINC000892858940 618759618 /nfs/dbraw/zinc/75/96/18/618759618.db2.gz ZRHJTRSSYLMFRE-UHFFFAOYSA-N 0 3 279.428 2.635 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NCC2(C#N)CC2)C1 ZINC000926873820 618777958 /nfs/dbraw/zinc/77/79/58/618777958.db2.gz JHAXDKVGPOBZRN-QWHCGFSZSA-N 0 3 293.411 2.573 20 30 CFEDHN CC1(C)OC[C@H](CN[C@H](CCC#N)c2ccccc2)O1 ZINC000893194128 618876934 /nfs/dbraw/zinc/87/69/34/618876934.db2.gz CZFRJISORXLXJP-LSDHHAIUSA-N 0 3 274.364 2.773 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001007899179 618889117 /nfs/dbraw/zinc/88/91/17/618889117.db2.gz WPLSVHQCDIIPAD-QGZVFWFLSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009608189 619003434 /nfs/dbraw/zinc/00/34/34/619003434.db2.gz FHSATGNSIMSRGC-PQUAAJSLSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCCCN(CC)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000893536629 619042802 /nfs/dbraw/zinc/04/28/02/619042802.db2.gz LLGFXWYLUAXENE-KGLIPLIRSA-N 0 3 279.428 2.609 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000249142004 619104389 /nfs/dbraw/zinc/10/43/89/619104389.db2.gz FTMUEBHRHCXXFX-RHSMWYFYSA-N 0 3 273.376 2.555 20 30 CFEDHN Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980848456 619107114 /nfs/dbraw/zinc/10/71/14/619107114.db2.gz XLMFOZLEWXXHAB-HOTGVXAUSA-N 0 3 299.418 2.750 20 30 CFEDHN C=C(C)CNCc1ccc(C(F)(F)F)nc1N(C)C ZINC000893895536 619241413 /nfs/dbraw/zinc/24/14/13/619241413.db2.gz NPQGFNSMDPKTLH-UHFFFAOYSA-N 0 3 273.302 2.832 20 30 CFEDHN Cc1ccccc1C[C@@H](CO)NCC#Cc1ccccc1 ZINC000893928149 619246138 /nfs/dbraw/zinc/24/61/38/619246138.db2.gz GUICUGPQRFAHEU-IBGZPJMESA-N 0 3 279.383 2.540 20 30 CFEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCOCC1 ZINC000726859347 619266269 /nfs/dbraw/zinc/26/62/69/619266269.db2.gz CDFYXYJQSWFCBA-LLVKDONJSA-N 0 3 284.315 2.821 20 30 CFEDHN N#CCC[C@H](C#N)CNC1(Cc2ccccc2)CCOCC1 ZINC000832432997 625331728 /nfs/dbraw/zinc/33/17/28/625331728.db2.gz YBISWLKSNIJPJG-QGZVFWFLSA-N 0 3 297.402 2.811 20 30 CFEDHN N#Cc1cc(CN2CC[C@]3(C2)CCCOC3)cs1 ZINC000894306564 619320923 /nfs/dbraw/zinc/32/09/23/619320923.db2.gz ODATVJBAUFUASD-AWEZNQCLSA-N 0 3 262.378 2.622 20 30 CFEDHN N#Cc1cc(CN2CC[C@@]3(C2)CCCOC3)cs1 ZINC000894306565 619320980 /nfs/dbraw/zinc/32/09/80/619320980.db2.gz ODATVJBAUFUASD-CQSZACIVSA-N 0 3 262.378 2.622 20 30 CFEDHN CN(Cc1csc(C#N)c1)[C@H](CO)CC(C)(C)C ZINC000894746486 619454569 /nfs/dbraw/zinc/45/45/69/619454569.db2.gz YUHBSXJXWDOAKB-LBPRGKRZSA-N 0 3 266.410 2.849 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000894750563 619456760 /nfs/dbraw/zinc/45/67/60/619456760.db2.gz JSCIVXKASLDIJZ-UKRRQHHQSA-N 0 3 289.423 2.942 20 30 CFEDHN CC(C)(CNCC#Cc1ccccc1)OCC1CC1 ZINC000894906437 619510549 /nfs/dbraw/zinc/51/05/49/619510549.db2.gz OHNNYZRYHKJQBE-UHFFFAOYSA-N 0 3 257.377 2.833 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000895605522 619568900 /nfs/dbraw/zinc/56/89/00/619568900.db2.gz OIMJUEDNODCGOG-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN C#CCC1(O)CCN(Cc2c(F)cccc2CC)CC1 ZINC000895670948 619582966 /nfs/dbraw/zinc/58/29/66/619582966.db2.gz YIEFGBQSICWOKM-UHFFFAOYSA-N 0 3 275.367 2.738 20 30 CFEDHN C[C@H]1[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000895734893 619596424 /nfs/dbraw/zinc/59/64/24/619596424.db2.gz BEGLBTJBNHUUEC-WCQYABFASA-N 0 3 272.396 2.755 20 30 CFEDHN C#CCCOc1ccc(CN2CCC(O)(CC=C)CC2)cc1 ZINC000895835422 619620280 /nfs/dbraw/zinc/62/02/80/619620280.db2.gz FJLZGZVSUOKRPY-UHFFFAOYSA-N 0 3 299.414 2.992 20 30 CFEDHN O[C@H](CCNCC#Cc1ccccc1)C1CCCC1 ZINC000895879869 619625637 /nfs/dbraw/zinc/62/56/37/619625637.db2.gz UXDSCIQUCVWRPF-QGZVFWFLSA-N 0 3 257.377 2.569 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000895931632 619638323 /nfs/dbraw/zinc/63/83/23/619638323.db2.gz QHEQJYHCOQFVQL-YESZJQIVSA-N 0 3 255.361 2.585 20 30 CFEDHN CO[C@]12CCC[C@@]1(NCc1ccc(C#N)c(C)c1)CCO2 ZINC000896411264 619731102 /nfs/dbraw/zinc/73/11/02/619731102.db2.gz BKCUUOLYAOPBSC-SJORKVTESA-N 0 3 286.375 2.642 20 30 CFEDHN C=CCOc1cccc(CN2CCO[C@H](C)CC2)c1 ZINC000896586264 619768224 /nfs/dbraw/zinc/76/82/24/619768224.db2.gz YXHTUSMEEVLKAZ-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCC[C@@H](C(F)(F)F)O2)n1 ZINC000896823992 619831233 /nfs/dbraw/zinc/83/12/33/619831233.db2.gz QMVVIXVJTBNFKJ-OLZOCXBDSA-N 0 3 299.296 2.543 20 30 CFEDHN C#CCN(Cc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC000897171183 619943901 /nfs/dbraw/zinc/94/39/01/619943901.db2.gz RZSLFKRLKQEWBK-UHFFFAOYSA-N 0 3 297.402 2.784 20 30 CFEDHN N#CCOc1ccc(CNCc2ccccc2)cc1 ZINC000034990823 620003728 /nfs/dbraw/zinc/00/37/28/620003728.db2.gz HNSSAHHTZDWMRS-UHFFFAOYSA-N 0 3 252.317 2.879 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1c2ccccc2C[C@H]1O ZINC000925249381 620068956 /nfs/dbraw/zinc/06/89/56/620068956.db2.gz WVHVGLNGJIJRCP-KCPJHIHWSA-N 0 3 258.365 2.563 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc(CCCC)cc2)C1 ZINC000989142128 620234014 /nfs/dbraw/zinc/23/40/14/620234014.db2.gz IHHXLQJULWRYHB-QAPCUYQASA-N 0 3 298.430 2.855 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CC2(C)CCCCC2)C1 ZINC000989151239 620234608 /nfs/dbraw/zinc/23/46/08/620234608.db2.gz XCMMLIJBKJVDTC-CABCVRRESA-N 0 3 276.424 2.559 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCCC3(CC3)C2)nn1 ZINC000897772351 620278886 /nfs/dbraw/zinc/27/88/86/620278886.db2.gz RQOXRKAJMBXQBQ-CYBMUJFWSA-N 0 3 260.385 2.667 20 30 CFEDHN COC(=O)C[C@@H](NCc1csc(C#N)c1)C(C)(C)C ZINC000897887080 620298475 /nfs/dbraw/zinc/29/84/75/620298475.db2.gz NQCMGJOWYLESHB-GFCCVEGCSA-N 0 3 280.393 2.687 20 30 CFEDHN Cc1cc(CNCc2ccc(CCO)cc2)ccc1C#N ZINC000898170871 620342742 /nfs/dbraw/zinc/34/27/42/620342742.db2.gz MQPKAXAPETYGOH-UHFFFAOYSA-N 0 3 280.371 2.691 20 30 CFEDHN C=CCCN1CCCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000989567830 620381622 /nfs/dbraw/zinc/38/16/22/620381622.db2.gz RCEAJZQZSTXCIV-UHFFFAOYSA-N 0 3 288.382 2.778 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000989609699 620383021 /nfs/dbraw/zinc/38/30/21/620383021.db2.gz QSNFVPKKNCRXMP-VQHPVUNQSA-N 0 3 290.451 2.661 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000989708643 620387023 /nfs/dbraw/zinc/38/70/23/620387023.db2.gz VMXXWGZRQNSAQG-RHSMWYFYSA-N 0 3 298.430 2.810 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC000989717427 620387843 /nfs/dbraw/zinc/38/78/43/620387843.db2.gz FLGWWRUQBRLCJP-KDOFPFPSSA-N 0 3 292.382 2.666 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc3ccccc32)C1 ZINC000989746158 620388922 /nfs/dbraw/zinc/38/89/22/620388922.db2.gz UQRQMNRTKVASGL-GDBMZVCRSA-N 0 3 292.382 2.666 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCC2CCCCC2)C1 ZINC000989748988 620389251 /nfs/dbraw/zinc/38/92/51/620389251.db2.gz SFTGLMFILDDWNN-GDBMZVCRSA-N 0 3 276.424 2.559 20 30 CFEDHN CC[C@](C)(CNCc1cc(C#N)ccc1F)OC ZINC000322773394 620392285 /nfs/dbraw/zinc/39/22/85/620392285.db2.gz IXBJMWKSQALKRI-CQSZACIVSA-N 0 3 250.317 2.602 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@@H]12 ZINC000989922390 620402138 /nfs/dbraw/zinc/40/21/38/620402138.db2.gz PEKJOUMFJZWHGO-SJLPKXTDSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989919892 620402972 /nfs/dbraw/zinc/40/29/72/620402972.db2.gz VWXGIBIZEQPWAH-DOTOQJQBSA-N 0 3 276.424 2.866 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989927472 620403674 /nfs/dbraw/zinc/40/36/74/620403674.db2.gz ADEZRMZLALGAOB-MJGOQNOKSA-N 0 3 296.414 2.745 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC000989952128 620405308 /nfs/dbraw/zinc/40/53/08/620405308.db2.gz ZITNDGGBRVIARO-GDBMZVCRSA-N 0 3 274.364 2.583 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C3CCCCCC3)CCC[C@H]12 ZINC000990030138 620407898 /nfs/dbraw/zinc/40/78/98/620407898.db2.gz ISKSGHBHLTYLMO-WMZOPIPTSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CCC[C@@H]12 ZINC000990134409 620409936 /nfs/dbraw/zinc/40/99/36/620409936.db2.gz KPAMQEQHOLAWOZ-RIUYPTKQSA-N 0 3 288.435 2.722 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cscc3C)CCC[C@@H]12 ZINC000990165186 620411055 /nfs/dbraw/zinc/41/10/55/620411055.db2.gz VWYAKVKQMWNOJW-GDBMZVCRSA-N 0 3 290.432 2.969 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990546504 620429617 /nfs/dbraw/zinc/42/96/17/620429617.db2.gz RLZLUCAQHRJLQY-MAUKXSAKSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990543251 620429812 /nfs/dbraw/zinc/42/98/12/620429812.db2.gz JPTFVKLBGRVCTP-PBHICJAKSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CC(C)(C)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000898460530 620466929 /nfs/dbraw/zinc/46/69/29/620466929.db2.gz NHELXYCWDGEWON-UHFFFAOYSA-N 0 3 271.364 2.935 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CCC(F)(F)C1 ZINC000901674817 620881950 /nfs/dbraw/zinc/88/19/50/620881950.db2.gz VSNJOJZUOOAADK-NWDGAFQWSA-N 0 3 255.312 2.845 20 30 CFEDHN C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1cc(C#N)ccn1 ZINC000902724874 621158338 /nfs/dbraw/zinc/15/83/38/621158338.db2.gz KYHPDNZDTDJEOB-KSSFIOAISA-N 0 3 294.402 2.907 20 30 CFEDHN C[C@@H](NCCc1ccccc1F)c1cc(C#N)ccn1 ZINC000902725910 621159052 /nfs/dbraw/zinc/15/90/52/621159052.db2.gz IENPSVPOJRBNCQ-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN Cc1csc(CCN[C@H](C)c2cc(C#N)ccn2)n1 ZINC000902742412 621163268 /nfs/dbraw/zinc/16/32/68/621163268.db2.gz PLASFLQKYAWPGD-LLVKDONJSA-N 0 3 272.377 2.612 20 30 CFEDHN Cc1ccccc1OCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902771580 621170233 /nfs/dbraw/zinc/17/02/33/621170233.db2.gz IDCILYQDGFGYHV-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN Cc1ccccc1[C@@H](O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902802008 621173809 /nfs/dbraw/zinc/17/38/09/621173809.db2.gz HQTQWKJQHANLLF-DYVFJYSZSA-N 0 3 281.359 2.646 20 30 CFEDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(C#N)ccn1 ZINC000902792440 621177858 /nfs/dbraw/zinc/17/78/58/621177858.db2.gz AGRZQKHBMYJMPV-GFCCVEGCSA-N 0 3 296.330 2.755 20 30 CFEDHN CO[C@@H](CN[C@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902825651 621182661 /nfs/dbraw/zinc/18/26/61/621182661.db2.gz APMQZEWIBYYWJD-RISCZKNCSA-N 0 3 261.369 2.665 20 30 CFEDHN CC[C@@H](NCc1cnn(C)c1C)c1cccc(C#N)c1 ZINC000902890228 621200432 /nfs/dbraw/zinc/20/04/32/621200432.db2.gz XTYDALJIMZILKV-MRXNPFEDSA-N 0 3 268.364 2.841 20 30 CFEDHN Cc1ccccc1C[C@H](CO)N[C@H](C)c1cc(C#N)ccn1 ZINC000902967438 621211358 /nfs/dbraw/zinc/21/13/58/621211358.db2.gz VDOQBHFGKKGCSU-RHSMWYFYSA-N 0 3 295.386 2.516 20 30 CFEDHN CCC(CC)(CN[C@@H](C)c1cc(C#N)ccn1)C(=O)OC ZINC000902949488 621212135 /nfs/dbraw/zinc/21/21/35/621212135.db2.gz ALWFSRPCLRPUNV-LBPRGKRZSA-N 0 3 289.379 2.583 20 30 CFEDHN COCC[C@H](Cc1ccco1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902950049 621212661 /nfs/dbraw/zinc/21/26/61/621212661.db2.gz DWCYXJGTZTUZPG-DZGCQCFKSA-N 0 3 299.374 2.845 20 30 CFEDHN C[C@@H](N[C@H](CCO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902982274 621217123 /nfs/dbraw/zinc/21/71/23/621217123.db2.gz YZJLGOYRQJHLHH-RHSMWYFYSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@@H](NCC(C)(C)OCC1CC1)c1cc(C#N)ccn1 ZINC000903018510 621222913 /nfs/dbraw/zinc/22/29/13/621222913.db2.gz DDILYPAVSNXZGW-GFCCVEGCSA-N 0 3 273.380 2.809 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1cn(C)nn1 ZINC000903024456 621233879 /nfs/dbraw/zinc/23/38/79/621233879.db2.gz MQBOXKNYMHSAQQ-HIFRSBDPSA-N 0 3 270.380 2.653 20 30 CFEDHN C[C@H](NC[C@@H](O)[C@@H](C)c1ccccc1)c1cc(C#N)ccn1 ZINC000903055644 621235354 /nfs/dbraw/zinc/23/53/54/621235354.db2.gz CEYZJZYSKNOCJU-SUNYJGFJSA-N 0 3 295.386 2.768 20 30 CFEDHN C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1cc(C#N)ccn1 ZINC000903063948 621238437 /nfs/dbraw/zinc/23/84/37/621238437.db2.gz KAHMAMCOJTZMKI-DYVFJYSZSA-N 0 3 293.370 2.745 20 30 CFEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCO[C@H](C)C#N ZINC000801940729 621239445 /nfs/dbraw/zinc/23/94/45/621239445.db2.gz DJPWNIXUMBYPDK-NEPJUHHUSA-N 0 3 278.400 2.526 20 30 CFEDHN CC(C)OC1(CN[C@@H](C)c2cc(C#N)ccn2)CCC1 ZINC000903084552 621246444 /nfs/dbraw/zinc/24/64/44/621246444.db2.gz FJCXMMSKYXTNDB-ZDUSSCGKSA-N 0 3 273.380 2.952 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@H](C)c2cn(CCC)nn2)CC1 ZINC000903087197 621247467 /nfs/dbraw/zinc/24/74/67/621247467.db2.gz LJZHWTHOMYZSKY-MGPQQGTHSA-N 0 3 260.385 2.531 20 30 CFEDHN CC[C@H](NCC1(C#N)CCCC1)C1(C(=O)OC)CCC1 ZINC000903109025 621255858 /nfs/dbraw/zinc/25/58/58/621255858.db2.gz KLAYTYWPKCJFHU-ZDUSSCGKSA-N 0 3 278.396 2.782 20 30 CFEDHN CC1(C#N)CCC(N[C@H](c2ncccn2)C2CC2)CC1 ZINC000903326208 621338831 /nfs/dbraw/zinc/33/88/31/621338831.db2.gz XAOZQMMSDWIXCE-BBBYJDLNSA-N 0 3 270.380 2.990 20 30 CFEDHN C=CCC[C@H](NCc1cn(C)cn1)[C@@]1(C)CCCCO1 ZINC000903351350 621343162 /nfs/dbraw/zinc/34/31/62/621343162.db2.gz JXJMYMHDRKCZKN-JKSUJKDBSA-N 0 3 277.412 2.804 20 30 CFEDHN C[C@H](NC[C@H]1CCCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000903356710 621346887 /nfs/dbraw/zinc/34/68/87/621346887.db2.gz UCZDKNAOBXIQNM-GXTWGEPZSA-N 0 3 273.380 2.952 20 30 CFEDHN C[N@@H+]1CC[C@@H](CC(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904172984 621541852 /nfs/dbraw/zinc/54/18/52/621541852.db2.gz MSSMKNSXZUMSGZ-AWEZNQCLSA-N 0 3 298.386 2.899 20 30 CFEDHN C[N@H+]1CC[C@@H](CC(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904172984 621541857 /nfs/dbraw/zinc/54/18/57/621541857.db2.gz MSSMKNSXZUMSGZ-AWEZNQCLSA-N 0 3 298.386 2.899 20 30 CFEDHN CCOc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905079694 621690658 /nfs/dbraw/zinc/69/06/58/621690658.db2.gz FEVHUXGAODHYEL-BKLZJWBFSA-N 0 3 269.304 2.518 20 30 CFEDHN CC1/C(=C/c2ccc3c(c2)CC(C)(C)O3)C(=O)c2ncnn21 ZINC000905080231 621690740 /nfs/dbraw/zinc/69/07/40/621690740.db2.gz JIKNPKBVIKDUPD-QVASGMJFSA-N 0 3 295.342 2.833 20 30 CFEDHN Cc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905082930 621691540 /nfs/dbraw/zinc/69/15/40/621691540.db2.gz YOQIBBIWRJXAMG-ZTFCMROMSA-N 0 3 253.305 2.736 20 30 CFEDHN CCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905082453 621691817 /nfs/dbraw/zinc/69/18/17/621691817.db2.gz WLVCAUDBHYXHAK-LUHPIMIVSA-N 0 3 283.331 2.908 20 30 CFEDHN Cc1cc(C#N)cc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905083888 621692318 /nfs/dbraw/zinc/69/23/18/621692318.db2.gz HEODZDVUYODMRQ-MQOXYSQQSA-N 0 3 278.315 2.608 20 30 CFEDHN CCc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905087157 621692873 /nfs/dbraw/zinc/69/28/73/621692873.db2.gz WMTKNPCNPFXMBT-SEEODLKFSA-N 0 3 253.305 2.681 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1cc(C#N)ccc1F ZINC000905519115 621788464 /nfs/dbraw/zinc/78/84/64/621788464.db2.gz RJVKHGUDJKAJQN-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015858326 625517056 /nfs/dbraw/zinc/51/70/56/625517056.db2.gz NORJQROCZRSCRJ-LBPRGKRZSA-N 0 3 293.436 2.647 20 30 CFEDHN CC1(C)C[C@H](NC[C@H](C#N)CCC#N)CCS1 ZINC000905664266 621812577 /nfs/dbraw/zinc/81/25/77/621812577.db2.gz RYPQCPYDOOXOMX-NWDGAFQWSA-N 0 3 251.399 2.694 20 30 CFEDHN CCC[C@H](N)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905835477 621873836 /nfs/dbraw/zinc/87/38/36/621873836.db2.gz DFQNDFFFTLDLNK-ZDUSSCGKSA-N 0 3 289.770 2.651 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001015860133 625530572 /nfs/dbraw/zinc/53/05/72/625530572.db2.gz JKRDTIYKSXJFLW-QAPCUYQASA-N 0 3 298.430 2.566 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N1CCNC2(CCCCC2)C1 ZINC000906634863 622028041 /nfs/dbraw/zinc/02/80/41/622028041.db2.gz SQUFWUCEXOWUSI-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(C)CN(CCC#N)CCCOCC(F)(F)F ZINC000043419725 622092086 /nfs/dbraw/zinc/09/20/86/622092086.db2.gz SGMVOQLORXHOSK-UHFFFAOYSA-N 0 3 266.307 2.827 20 30 CFEDHN C#CCCCCCC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000832949953 625540458 /nfs/dbraw/zinc/54/04/58/625540458.db2.gz RVBBCEFEVDVWGV-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN CCN(C(=O)c1cc(C)c(C#N)c(C)c1)C1CCN(C)CC1 ZINC000908912682 622286609 /nfs/dbraw/zinc/28/66/09/622286609.db2.gz BZVDEPMEDASEJW-UHFFFAOYSA-N 0 3 299.418 2.731 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910275024 622423461 /nfs/dbraw/zinc/42/34/61/622423461.db2.gz RXJQOEIGTPLIRO-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910281378 622424359 /nfs/dbraw/zinc/42/43/59/622424359.db2.gz XKJHWIWNUWYZMB-HIFRSBDPSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@H]12 ZINC000991331716 622522581 /nfs/dbraw/zinc/52/25/81/622522581.db2.gz NXAKMIDKJXTOMV-JLJPHGGASA-N 0 3 276.424 2.722 20 30 CFEDHN Cc1cccc(C(C)C)c1N=NC1CCN(CCO)CC1 ZINC000819813050 622561913 /nfs/dbraw/zinc/56/19/13/622561913.db2.gz KIWZHDXXWWMLJE-UHFFFAOYSA-N 0 3 289.423 2.974 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000911892557 622571004 /nfs/dbraw/zinc/57/10/04/622571004.db2.gz YHFNNMSIWUUKDV-GXTWGEPZSA-N 0 3 258.365 2.648 20 30 CFEDHN C=C[C@@H](C)ONC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911903100 622579007 /nfs/dbraw/zinc/57/90/07/622579007.db2.gz NGESXMRKOGWMSZ-LLVKDONJSA-N 0 3 273.336 2.527 20 30 CFEDHN CC[C@@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000819944399 622579770 /nfs/dbraw/zinc/57/97/70/622579770.db2.gz MYTUIQNIOYXRLS-BBRMVZONSA-N 0 3 298.386 2.551 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@H]12 ZINC000991363064 622606388 /nfs/dbraw/zinc/60/63/88/622606388.db2.gz VHFRSOOEVWJLAF-UWWQBHOKSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1OC ZINC000912015799 622611159 /nfs/dbraw/zinc/61/11/59/622611159.db2.gz CCNAEZMSDSMHFT-TZMCWYRMSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000912021462 622613515 /nfs/dbraw/zinc/61/35/15/622613515.db2.gz ZWCUTYQAWIBDNU-CQSZACIVSA-N 0 3 280.799 2.982 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCc1cccc(Cl)c1 ZINC000912065788 622616618 /nfs/dbraw/zinc/61/66/18/622616618.db2.gz JEGXBNKFNKMCMX-CQSZACIVSA-N 0 3 280.799 2.682 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000912053992 622621015 /nfs/dbraw/zinc/62/10/15/622621015.db2.gz KBVGBKBGJBMXBJ-HZMBPMFUSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000912159059 622639308 /nfs/dbraw/zinc/63/93/08/622639308.db2.gz JTYCEEGSBLFVLJ-HNNXBMFYSA-N 0 3 272.392 2.866 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000912200339 622660249 /nfs/dbraw/zinc/66/02/49/622660249.db2.gz ILVUZJSXNKTJNM-IAGOWNOFSA-N 0 3 286.419 2.904 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000912218225 622663879 /nfs/dbraw/zinc/66/38/79/622663879.db2.gz KBZMGGVQCHEXKY-CYBMUJFWSA-N 0 3 257.337 2.790 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000912222127 622665553 /nfs/dbraw/zinc/66/55/53/622665553.db2.gz VWPVWCBHQAEDKO-INIZCTEOSA-N 0 3 272.392 2.861 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cccc(OC)c1 ZINC000912254682 622673698 /nfs/dbraw/zinc/67/36/98/622673698.db2.gz WBRZPVZZLVWUEC-SWLSCSKDSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(F)c1C ZINC000912284895 622674918 /nfs/dbraw/zinc/67/49/18/622674918.db2.gz KWWYYTBQJMFRSP-GFCCVEGCSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCCC1CCCC1 ZINC000912433518 622710174 /nfs/dbraw/zinc/71/01/74/622710174.db2.gz NNVSKONDWYCQJP-AWEZNQCLSA-N 0 3 252.402 2.757 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(CC)s1 ZINC000912473235 622722587 /nfs/dbraw/zinc/72/25/87/622722587.db2.gz LVMXQNQNLBEHQU-CYBMUJFWSA-N 0 3 266.410 2.610 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)Nc1cnn(CC)c1 ZINC000912479716 622726412 /nfs/dbraw/zinc/72/64/12/622726412.db2.gz TYLKFLGVGCNZDG-AWEZNQCLSA-N 0 3 280.416 2.919 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccccc1C1CCC1 ZINC000820680442 622734728 /nfs/dbraw/zinc/73/47/28/622734728.db2.gz MADFRMPHBZOSEX-UHFFFAOYSA-N 0 3 284.403 2.639 20 30 CFEDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC#N ZINC000913098147 622835672 /nfs/dbraw/zinc/83/56/72/622835672.db2.gz ZCHHOBAVXTXOPG-RDJZCZTQSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913097988 622836050 /nfs/dbraw/zinc/83/60/50/622836050.db2.gz WDEOJEKQLQNEJP-BFYDXBDKSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000876701558 622945933 /nfs/dbraw/zinc/94/59/33/622945933.db2.gz VCNGMHKHNNGZFP-ADEWGFFLSA-N 0 3 272.820 2.787 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(C(=O)OC)cc2)cc1 ZINC000225936964 623052851 /nfs/dbraw/zinc/05/28/51/623052851.db2.gz UAUKHLLLTUAGRT-UHFFFAOYSA-N 0 3 279.339 2.744 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC(NCC(C)(C)C#N)CC1 ZINC000168928272 623109658 /nfs/dbraw/zinc/10/96/58/623109658.db2.gz ZDAUMMAUDJYDGY-UHFFFAOYSA-N 0 3 281.400 2.525 20 30 CFEDHN N#CCOc1ccc(CNCc2ccc3c[nH]nc3c2)cc1 ZINC000171768879 623242294 /nfs/dbraw/zinc/24/22/94/623242294.db2.gz CMEQMYKGNBLPJV-UHFFFAOYSA-N 0 3 292.342 2.755 20 30 CFEDHN CC(C)C#CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000823268797 623280130 /nfs/dbraw/zinc/28/01/30/623280130.db2.gz QJQFNSAIACSASW-WBVHZDCISA-N 0 3 284.403 2.598 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)C1CC1 ZINC000823617572 623363312 /nfs/dbraw/zinc/36/33/12/623363312.db2.gz KFXVXQFAGRHCFE-GFCCVEGCSA-N 0 3 256.349 2.920 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992157397 623472484 /nfs/dbraw/zinc/47/24/84/623472484.db2.gz AIKRPDZBILVJDY-PNBKFKSVSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3occc3CC)CCC[C@H]12 ZINC000992170718 623476886 /nfs/dbraw/zinc/47/68/86/623476886.db2.gz KONUEHIDTMMUKV-YOEHRIQHSA-N 0 3 288.391 2.755 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@@H]12 ZINC000992184022 623478749 /nfs/dbraw/zinc/47/87/49/623478749.db2.gz CAVXGUSKVXMHAK-IUODEOHRSA-N 0 3 293.798 2.581 20 30 CFEDHN C#C[C@@H](NCc1cnn(-c2ccc(OC)cc2)c1)C(C)C ZINC000824363596 623495925 /nfs/dbraw/zinc/49/59/25/623495925.db2.gz HCHRKMCUDRYZIX-QGZVFWFLSA-N 0 3 283.375 2.628 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992433503 623557297 /nfs/dbraw/zinc/55/72/97/623557297.db2.gz RJKZNWPZKYGGBW-WDYCEAGBSA-N 0 3 296.414 2.537 20 30 CFEDHN COC(=O)C1(C#N)CCN(CC2CCC(C)(C)CC2)CC1 ZINC000824867447 623580958 /nfs/dbraw/zinc/58/09/58/623580958.db2.gz OXLUQQCHYFRYSC-UHFFFAOYSA-N 0 3 292.423 2.982 20 30 CFEDHN C#CCN(CCOC[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000152163211 623657486 /nfs/dbraw/zinc/65/74/86/623657486.db2.gz CBWWIDGHZFSFNH-IEBWSBKVSA-N 0 3 299.414 2.805 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993011728 623842212 /nfs/dbraw/zinc/84/22/12/623842212.db2.gz GTBQSHAYWULMMY-STQMWFEESA-N 0 3 278.421 2.907 20 30 CFEDHN C=CCOc1cccc(CN2CCC3=C(CCC(=O)N3)C2)c1 ZINC000826780801 623871801 /nfs/dbraw/zinc/87/18/01/623871801.db2.gz QQVYTSIDWZIOIP-UHFFFAOYSA-N 0 3 298.386 2.621 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000826948470 623914132 /nfs/dbraw/zinc/91/41/32/623914132.db2.gz ZCOSSZDAUXSGHZ-NWDGAFQWSA-N 0 3 266.410 2.985 20 30 CFEDHN CCCCCCCCCN(C)C(=O)C[C@H]1CNCCO1 ZINC000827533349 624026185 /nfs/dbraw/zinc/02/61/85/624026185.db2.gz FCARXDWCJVMRDH-HNNXBMFYSA-N 0 3 284.444 2.574 20 30 CFEDHN CCCCCCCCCN(C)C(=O)C[C@@H]1CNCCO1 ZINC000827533350 624026245 /nfs/dbraw/zinc/02/62/45/624026245.db2.gz FCARXDWCJVMRDH-OAHLLOKOSA-N 0 3 284.444 2.574 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993214511 624041757 /nfs/dbraw/zinc/04/17/57/624041757.db2.gz VFLNMXBAKYMYDI-DZGCQCFKSA-N 0 3 290.432 2.663 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1cccc(F)c1 ZINC000925423975 624055055 /nfs/dbraw/zinc/05/50/55/624055055.db2.gz SUJZZWOADBBYOG-BXUZGUMPSA-N 0 3 264.344 2.777 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccncc2C)[C@@H]1C ZINC000993325894 624099656 /nfs/dbraw/zinc/09/96/56/624099656.db2.gz KZKMNAYKOHVXFG-GOEBONIOSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001007152251 624099708 /nfs/dbraw/zinc/09/97/08/624099708.db2.gz ZXSSZVFTSMTLDJ-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc(OCC)c1 ZINC000827818958 624100855 /nfs/dbraw/zinc/10/08/55/624100855.db2.gz XTSQWMVFOVYCCY-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN C#CCCN(C/C=C/c1ccc(F)cc1)CCOC ZINC000827823192 624102590 /nfs/dbraw/zinc/10/25/90/624102590.db2.gz KHDIADNDECQXBL-AATRIKPKSA-N 0 3 261.340 2.811 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993700298 624162062 /nfs/dbraw/zinc/16/20/62/624162062.db2.gz DRUQCQSQFHNFAH-ZBFHGGJFSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCC[C@H](O)CNc1ccnc2ccc(OC(C)C)cc21 ZINC000828081325 624167214 /nfs/dbraw/zinc/16/72/14/624167214.db2.gz UQWDHOCGOVEUMT-AWEZNQCLSA-N 0 3 298.386 2.630 20 30 CFEDHN C#CCC[C@@H](O)CNc1ccnc2ccc(OC(C)C)cc21 ZINC000828081326 624167366 /nfs/dbraw/zinc/16/73/66/624167366.db2.gz UQWDHOCGOVEUMT-CQSZACIVSA-N 0 3 298.386 2.630 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994153882 624180320 /nfs/dbraw/zinc/18/03/20/624180320.db2.gz BGZHCBGSDFORMR-CABCVRRESA-N 0 3 294.414 2.651 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000929940610 624256682 /nfs/dbraw/zinc/25/66/82/624256682.db2.gz HHRSOIFWNKWILG-BBRMVZONSA-N 0 3 285.391 2.608 20 30 CFEDHN CCN(CC)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000916622655 624265781 /nfs/dbraw/zinc/26/57/81/624265781.db2.gz FGAMLBWPJQCNNS-LLVKDONJSA-N 0 3 287.388 2.814 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccccc2)nc(C)n1 ZINC000916880160 624290368 /nfs/dbraw/zinc/29/03/68/624290368.db2.gz MPJMLHZNQISNPI-CDNLZTBQSA-N 0 3 277.327 2.983 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001015753455 624293770 /nfs/dbraw/zinc/29/37/70/624293770.db2.gz IBYRQDIAUHXEJH-MWDXBVQZSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN(C[C@H](O)c1cc(OC)ccc1OC)C(C)C ZINC000917068774 624306554 /nfs/dbraw/zinc/30/65/54/624306554.db2.gz BGYPXLJKUZKJDZ-HNNXBMFYSA-N 0 3 279.380 2.634 20 30 CFEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917097257 624310194 /nfs/dbraw/zinc/31/01/94/624310194.db2.gz JNFPANHQDAPINH-LBPRGKRZSA-N 0 3 299.399 2.957 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)/C=C/Cl)CC1 ZINC000917097878 624310549 /nfs/dbraw/zinc/31/05/49/624310549.db2.gz LXCCIDIVPGOLTJ-BQYQJAHWSA-N 0 3 299.846 2.857 20 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260.728 2.959 20 30 CFEDHN COc1ccccc1OCCNCc1csc(C#N)c1 ZINC000921485107 624911899 /nfs/dbraw/zinc/91/18/99/624911899.db2.gz DFNYUENSAHPJFL-UHFFFAOYSA-N 0 3 288.372 2.797 20 30 CFEDHN CC#CC(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000830970136 624941640 /nfs/dbraw/zinc/94/16/40/624941640.db2.gz OVHNPBBJRCBPBH-QGZVFWFLSA-N 0 3 284.403 2.523 20 30 CFEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000233847462 624958410 /nfs/dbraw/zinc/95/84/10/624958410.db2.gz VTBXUJJDFVRERP-OLZOCXBDSA-N 0 3 250.367 2.915 20 30 CFEDHN CC(C)C(=O)N[C@H]1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC000994796555 624962103 /nfs/dbraw/zinc/96/21/03/624962103.db2.gz WRZZQGCWKSNIOA-PBHICJAKSA-N 0 3 299.418 2.589 20 30 CFEDHN COC(=O)C1(C#N)CCN(CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000831690822 625098168 /nfs/dbraw/zinc/09/81/68/625098168.db2.gz FHCYDEPFJPYUIU-GJZGRUSLSA-N 0 3 292.423 2.982 20 30 CFEDHN CCC(C)(C)CCN1CCC(C#N)(C(=O)OC)CC1 ZINC000831691846 625098203 /nfs/dbraw/zinc/09/82/03/625098203.db2.gz XTWDZHGKLYJIQL-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN COC(=O)C1(C#N)CCN(CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000831690821 625098321 /nfs/dbraw/zinc/09/83/21/625098321.db2.gz FHCYDEPFJPYUIU-CABCVRRESA-N 0 3 292.423 2.982 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCCCCCC1 ZINC000831925800 625182136 /nfs/dbraw/zinc/18/21/36/625182136.db2.gz AJEMTZMVLGVQKR-MRXNPFEDSA-N 0 3 279.428 2.697 20 30 CFEDHN CC1(C)C[C@H](NN=C2CCCc3cc(N)ccc32)CCO1 ZINC000834973077 625939649 /nfs/dbraw/zinc/93/96/49/625939649.db2.gz SUDJSELOPTUWLV-CQSZACIVSA-N 0 3 287.407 2.856 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000997761093 626014961 /nfs/dbraw/zinc/01/49/61/626014961.db2.gz OXIJEMOTRUEMGW-USXIJHARSA-N 0 3 290.451 2.519 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997909382 626020804 /nfs/dbraw/zinc/02/08/04/626020804.db2.gz QZHJZVODUMQJAB-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000998110111 626031811 /nfs/dbraw/zinc/03/18/11/626031811.db2.gz MEEXTCZLYSNEJI-BRWVUGGUSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN[C@H]1CN(C(=O)CCC)CC[C@@H]1C(F)(F)F ZINC000998222985 626036009 /nfs/dbraw/zinc/03/60/09/626036009.db2.gz CPPJTVXXQMUFNG-RYUDHWBXSA-N 0 3 292.345 2.732 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(C)o2)C1 ZINC000998409953 626048938 /nfs/dbraw/zinc/04/89/38/626048938.db2.gz RWMSTGALENEDLF-UHFFFAOYSA-N 0 3 282.771 2.533 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC000999176599 626067789 /nfs/dbraw/zinc/06/77/89/626067789.db2.gz AQHRBIQUORUYSG-UHFFFAOYSA-N 0 3 296.842 2.898 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000999375370 626072686 /nfs/dbraw/zinc/07/26/86/626072686.db2.gz SLHMUHRAPIEHNH-UWLZSVRSSA-N 0 3 296.842 2.898 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC[C@H](NCc3ccccn3)C2)C1 ZINC001000129672 626089455 /nfs/dbraw/zinc/08/94/55/626089455.db2.gz YTKKEUBJFRJIPK-INIZCTEOSA-N 0 3 299.418 2.519 20 30 CFEDHN N#Cc1ccc(Br)c(CN[C@H]2CCSC2)c1 ZINC000921793995 626126053 /nfs/dbraw/zinc/12/60/53/626126053.db2.gz OXAXZCYPMQJGTD-NSHDSACASA-N 0 3 297.221 2.916 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001000775327 626131722 /nfs/dbraw/zinc/13/17/22/626131722.db2.gz BQYWWGANUOPZPW-ZIAGYGMSSA-N 0 3 298.377 2.602 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001124060 626146219 /nfs/dbraw/zinc/14/62/19/626146219.db2.gz BXQGDXIUWZVYFW-CVEARBPZSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001001324874 626154727 /nfs/dbraw/zinc/15/47/27/626154727.db2.gz IOHOAASGBVNRDA-WMZOPIPTSA-N 0 3 290.451 2.993 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001001997393 626166299 /nfs/dbraw/zinc/16/62/99/626166299.db2.gz SISULMNTIVCHGY-FUHWJXTLSA-N 0 3 290.451 2.520 20 30 CFEDHN C[C@H](NCc1csc(C#N)c1)[C@H](O)Cc1ccccc1 ZINC000921919040 626177637 /nfs/dbraw/zinc/17/76/37/626177637.db2.gz HKCYLNLGWSHANY-BLLLJJGKSA-N 0 3 286.400 2.701 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316443 626182790 /nfs/dbraw/zinc/18/27/90/626182790.db2.gz NSCZLFWYLJYCNX-QGZVFWFLSA-N 0 3 284.403 2.944 20 30 CFEDHN C#CCOCCN1CC=C(c2ccc(C)cc2)CC1 ZINC000851713322 634483751 /nfs/dbraw/zinc/48/37/51/634483751.db2.gz BDEIECWUJMWQPJ-UHFFFAOYSA-N 0 3 255.361 2.734 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016345250 626202917 /nfs/dbraw/zinc/20/29/17/626202917.db2.gz GVDXMIRDPYUJBH-SSHXOBKSSA-N 0 3 276.424 2.579 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1csc(C#N)c1 ZINC000922238750 626247856 /nfs/dbraw/zinc/24/78/56/626247856.db2.gz XZXKVRNGELAIJV-ZDUSSCGKSA-N 0 3 264.394 2.915 20 30 CFEDHN C#CCOCCN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000851719998 634488800 /nfs/dbraw/zinc/48/88/00/634488800.db2.gz XYPQUVYOWDYENN-UHFFFAOYSA-N 0 3 299.414 2.848 20 30 CFEDHN CC(C)CC[C@H](CO)NCc1csc(C#N)c1 ZINC000922284540 626259228 /nfs/dbraw/zinc/25/92/28/626259228.db2.gz QSWUYTQMVYNGKB-GFCCVEGCSA-N 0 3 252.383 2.506 20 30 CFEDHN CN1C(=O)c2ccccc2[C@H]1CNCc1csc(C#N)c1 ZINC000922293189 626261334 /nfs/dbraw/zinc/26/13/34/626261334.db2.gz MHEVRDVKMMHTKW-OAHLLOKOSA-N 0 3 297.383 2.536 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)cs1 ZINC000922325298 626270585 /nfs/dbraw/zinc/27/05/85/626270585.db2.gz BAZQCMYCPWXBNM-MBNYWOFBSA-N 0 3 262.378 2.667 20 30 CFEDHN CC(C)(C)OC(=O)C1CC(NCc2csc(C#N)c2)C1 ZINC000922329212 626271311 /nfs/dbraw/zinc/27/13/11/626271311.db2.gz VLYZJZSZAAPCGD-UHFFFAOYSA-N 0 3 292.404 2.830 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(Cl)ccc1OC ZINC000320980889 626315562 /nfs/dbraw/zinc/31/55/62/626315562.db2.gz HSIDOINVBGVXPQ-CYBMUJFWSA-N 0 3 269.772 2.765 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001004232896 626315644 /nfs/dbraw/zinc/31/56/44/626315644.db2.gz MXSYDRDPCFKRHV-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCN(CCOC(F)F)[C@H]1CCc2ccccc21 ZINC000851737080 634500532 /nfs/dbraw/zinc/50/05/32/634500532.db2.gz ZRBSTUXCPVXTNY-AWEZNQCLSA-N 0 3 265.303 2.848 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)CC2CCCC2)CC1 ZINC001005060344 626407644 /nfs/dbraw/zinc/40/76/44/626407644.db2.gz HQNLDXVRTXBUPO-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)s2)CC1 ZINC001005058990 626407883 /nfs/dbraw/zinc/40/78/83/626407883.db2.gz QJFSFYOMXUFWLX-UHFFFAOYSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001005443218 626415301 /nfs/dbraw/zinc/41/53/01/626415301.db2.gz VUGDRKTWJPRIBU-KRWDZBQOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001005741722 626420969 /nfs/dbraw/zinc/42/09/69/626420969.db2.gz OIQMSUKYCUHUKI-HOCLYGCPSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001005846881 626436845 /nfs/dbraw/zinc/43/68/45/626436845.db2.gz FCYVDMOKQKYMLR-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1ccc(CNC2([C@H]3CCCCO3)CC2)s1 ZINC000923028654 626443235 /nfs/dbraw/zinc/44/32/35/626443235.db2.gz ABMJSAPAOSNLKJ-CYBMUJFWSA-N 0 3 262.378 2.811 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001005950256 626453608 /nfs/dbraw/zinc/45/36/08/626453608.db2.gz SFRAEYDIIVGSRU-YOEHRIQHSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001006081333 626473290 /nfs/dbraw/zinc/47/32/90/626473290.db2.gz CPEKEQWSQAWZGV-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001006216509 626480538 /nfs/dbraw/zinc/48/05/38/626480538.db2.gz AZCTXINSGMYBHE-GOEBONIOSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001006217017 626480570 /nfs/dbraw/zinc/48/05/70/626480570.db2.gz BQSRALOCLAUGFG-NVXWUHKLSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001006231108 626481014 /nfs/dbraw/zinc/48/10/14/626481014.db2.gz YRGYDERGGJIMAC-IRXDYDNUSA-N 0 3 290.451 2.922 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nc21 ZINC000838805449 626505921 /nfs/dbraw/zinc/50/59/21/626505921.db2.gz JWXAKRCVBPDRKA-NMKXLXIOSA-N 0 3 295.342 2.615 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[nH]c21 ZINC000838805449 626505922 /nfs/dbraw/zinc/50/59/22/626505922.db2.gz JWXAKRCVBPDRKA-NMKXLXIOSA-N 0 3 295.342 2.615 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)nc1Cl ZINC000839031626 626521248 /nfs/dbraw/zinc/52/12/48/626521248.db2.gz LDXWZOMCBOJHHV-OLZOCXBDSA-N 0 3 266.772 2.867 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CC3(CC(F)C3)C2)cc1 ZINC000839140900 626528506 /nfs/dbraw/zinc/52/85/06/626528506.db2.gz KIPVUKIZWFADSD-UHFFFAOYSA-N 0 3 287.382 2.970 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839190764 626530525 /nfs/dbraw/zinc/53/05/25/626530525.db2.gz AOQKRECXZWJTML-WHOFXGATSA-N 0 3 274.389 2.667 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@H](NCC2(C#N)CC2)C1(C)C ZINC000839200078 626532016 /nfs/dbraw/zinc/53/20/16/626532016.db2.gz PTFBNIZMPSZDJC-RYUDHWBXSA-N 0 3 250.386 2.862 20 30 CFEDHN C#C[C@@H](NCCC1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000839563629 626547285 /nfs/dbraw/zinc/54/72/85/626547285.db2.gz KGYWFENURPJWCB-CABCVRRESA-N 0 3 260.381 2.621 20 30 CFEDHN C#C[C@@H](NCc1cnn(Cc2ccc(F)cc2)c1)C(C)C ZINC000809685798 626549039 /nfs/dbraw/zinc/54/90/39/626549039.db2.gz SEFVTGARAOKOPD-QGZVFWFLSA-N 0 3 285.366 2.818 20 30 CFEDHN CN(CC(=O)NCCC#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000839651294 626549507 /nfs/dbraw/zinc/54/95/07/626549507.db2.gz SKCQBIFUYBARPH-IRXDYDNUSA-N 0 3 299.418 2.674 20 30 CFEDHN C=C(Br)CN[C@H](C)[C@@](C)(OC)C1CC1 ZINC000839639114 626550687 /nfs/dbraw/zinc/55/06/87/626550687.db2.gz LYQMTNDCQWIXJT-MWLCHTKSSA-N 0 3 262.191 2.688 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757694979 626558476 /nfs/dbraw/zinc/55/84/76/626558476.db2.gz AXUFONSCFSXMBL-UMNHJUIQSA-N 0 3 265.328 2.606 20 30 CFEDHN COCC#CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000762927090 626951017 /nfs/dbraw/zinc/95/10/17/626951017.db2.gz ZPPDOWWSUXAUNK-UHFFFAOYSA-N 0 3 273.376 2.787 20 30 CFEDHN COCC#CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000762927090 626951019 /nfs/dbraw/zinc/95/10/19/626951019.db2.gz ZPPDOWWSUXAUNK-UHFFFAOYSA-N 0 3 273.376 2.787 20 30 CFEDHN C#CCN(CCOc1ccc(OCCC)cc1)C1CC1 ZINC000763956374 627026261 /nfs/dbraw/zinc/02/62/61/627026261.db2.gz MUXKHHDOFDCFBM-UHFFFAOYSA-N 0 3 273.376 2.952 20 30 CFEDHN N#CC(C(=O)[C@@H]1C[C@@]12CCOC2)c1ccc2ccccc2n1 ZINC000764756667 627090773 /nfs/dbraw/zinc/09/07/73/627090773.db2.gz AYCUOPJPHKTLSB-SUNYJGFJSA-N 0 3 292.338 2.838 20 30 CFEDHN C[C@@H](C=Nn1cnnc1-c1ccccc1)CCC#N ZINC000766001764 627170670 /nfs/dbraw/zinc/17/06/70/627170670.db2.gz IQXZBPMGFAFSMD-GFCCVEGCSA-N 0 3 253.309 2.719 20 30 CFEDHN C#CCCCN[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000766232005 627186339 /nfs/dbraw/zinc/18/63/39/627186339.db2.gz DFDLGKJAMWYIEQ-ZDUSSCGKSA-N 0 3 268.364 2.640 20 30 CFEDHN C#CCCCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000766895159 627225336 /nfs/dbraw/zinc/22/53/36/627225336.db2.gz JEECPUVJWCYMHW-UHFFFAOYSA-N 0 3 293.414 2.766 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000769314315 627423337 /nfs/dbraw/zinc/42/33/37/627423337.db2.gz XIRSWFJDDFOZRX-KRWDZBQOSA-N 0 3 295.386 2.732 20 30 CFEDHN C[C@H](C[C@H](C)NCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000769553235 627454936 /nfs/dbraw/zinc/45/49/36/627454936.db2.gz GISBNGBJNYUXIF-NWDGAFQWSA-N 0 3 283.416 2.818 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(I)cc1 ZINC000769961042 627491547 /nfs/dbraw/zinc/49/15/47/627491547.db2.gz MPNKHIBLFHXWGV-JTQLQIEISA-N 0 3 299.155 2.745 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000769975717 627493948 /nfs/dbraw/zinc/49/39/48/627493948.db2.gz JMYANTQDTZDRHR-ZBFHGGJFSA-N 0 3 289.419 2.677 20 30 CFEDHN C[C@@H](C#N)CNN=C1CCCC[C@H]1N1CCCCC1 ZINC000771106060 627578081 /nfs/dbraw/zinc/57/80/81/627578081.db2.gz AURJYQRZGZXNRC-DZGCQCFKSA-N 0 3 262.401 2.520 20 30 CFEDHN C#CCSCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000773010463 627768610 /nfs/dbraw/zinc/76/86/10/627768610.db2.gz LTGDLUKVSVKESO-LLVKDONJSA-N 0 3 297.395 2.860 20 30 CFEDHN CC(C)c1nccnc1N=NC1CN(C(C)C)C[C@H]1C ZINC000773092943 627782957 /nfs/dbraw/zinc/78/29/57/627782957.db2.gz HNMTWYCGPADHIL-GFCCVEGCSA-N 0 3 275.400 2.728 20 30 CFEDHN C=C(CC)CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773423527 627817401 /nfs/dbraw/zinc/81/74/01/627817401.db2.gz GHDPSULYUUKCKJ-ZDUSSCGKSA-N 0 3 268.401 2.894 20 30 CFEDHN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000773770263 627857579 /nfs/dbraw/zinc/85/75/79/627857579.db2.gz NHCBYOWEYIBJFO-AAEUAGOBSA-N 0 3 290.388 2.866 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000774245859 627908452 /nfs/dbraw/zinc/90/84/52/627908452.db2.gz VTZXWZFLEXTAFK-GOEBONIOSA-N 0 3 268.360 2.871 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/CCc2cnccn2)c([O-])c1 ZINC000774540107 627936429 /nfs/dbraw/zinc/93/64/29/627936429.db2.gz BHKVNPHTGWCDDN-LDADJPATSA-N 0 3 298.390 2.690 20 30 CFEDHN C#C[C@@H](NCc1ccnc2ccccc12)[C@H]1CCCO1 ZINC000775347128 628014087 /nfs/dbraw/zinc/01/40/87/628014087.db2.gz XTTQKMRBQBJWDF-NVXWUHKLSA-N 0 3 266.344 2.505 20 30 CFEDHN C#C[C@H](NCc1ccnc2ccccc12)[C@@H]1CCCO1 ZINC000775347130 628014536 /nfs/dbraw/zinc/01/45/36/628014536.db2.gz XTTQKMRBQBJWDF-RDJZCZTQSA-N 0 3 266.344 2.505 20 30 CFEDHN CC[C@@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000775389939 628018902 /nfs/dbraw/zinc/01/89/02/628018902.db2.gz ZVQNHMCNVIEKIW-QZTJIDSGSA-N 0 3 299.418 2.710 20 30 CFEDHN C#C[C@H](N[C@@H](CC)c1ccc(OC)cc1)[C@H]1CCCO1 ZINC000775572489 628040559 /nfs/dbraw/zinc/04/05/59/628040559.db2.gz BAEVINNJNQSADR-YESZJQIVSA-N 0 3 273.376 2.917 20 30 CFEDHN C#C[C@@H](NC1CC(c2ccccc2)C1)[C@H]1CCCO1 ZINC000775573051 628040979 /nfs/dbraw/zinc/04/09/79/628040979.db2.gz WEMDPNQZSGGLFJ-BHUNQDJPSA-N 0 3 255.361 2.703 20 30 CFEDHN C#C[C@H](N[C@@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000775573574 628041550 /nfs/dbraw/zinc/04/15/50/628041550.db2.gz HUYSBPNGJDVDCD-GVDBMIGSSA-N 0 3 255.361 2.834 20 30 CFEDHN C#C[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)[C@H]1CCCO1 ZINC000775575842 628042219 /nfs/dbraw/zinc/04/22/19/628042219.db2.gz ZJJLWXDKPVNALV-FHLIZLRMSA-N 0 3 286.419 2.974 20 30 CFEDHN CCCCCCCCN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000775989263 628092138 /nfs/dbraw/zinc/09/21/38/628092138.db2.gz XXBAXMCKNIKYHX-UHFFFAOYSA-N 0 3 293.459 2.591 20 30 CFEDHN CCc1cc(CN[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000776158639 628108231 /nfs/dbraw/zinc/10/82/31/628108231.db2.gz VDJSAZQHRDYBLZ-LLVKDONJSA-N 0 3 254.337 2.695 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccccc1F ZINC000776185796 628112665 /nfs/dbraw/zinc/11/26/65/628112665.db2.gz MENRZCWYEKEVQG-UHFFFAOYSA-N 0 3 258.300 2.733 20 30 CFEDHN C[C@@H](C1CC1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000777400735 628222211 /nfs/dbraw/zinc/22/22/11/628222211.db2.gz CRLGQRJIXXVBPB-WMLDXEAASA-N 0 3 269.392 2.667 20 30 CFEDHN CC(CN1CCCCCC1)N=Nc1nccnc1Cl ZINC000777436677 628225039 /nfs/dbraw/zinc/22/50/39/628225039.db2.gz IKJKINKJCOITBF-UHFFFAOYSA-N 0 3 281.791 2.794 20 30 CFEDHN C=C(Br)CN1CCC[C@H]1C1CCOCC1 ZINC000777742081 628250443 /nfs/dbraw/zinc/25/04/43/628250443.db2.gz DTYRCIJJGBCZMI-LBPRGKRZSA-N 0 3 274.202 2.786 20 30 CFEDHN COc1cccc2[nH]cc(CCNC[C@@H](C#N)CCC#N)c21 ZINC000777944168 628266540 /nfs/dbraw/zinc/26/65/40/628266540.db2.gz YBFWRARQMSHMQK-CYBMUJFWSA-N 0 3 296.374 2.752 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H](C)C[C@@H](C)O ZINC000778169497 628283134 /nfs/dbraw/zinc/28/31/34/628283134.db2.gz UFCFHWMGDHGNMU-CHWSQXEVSA-N 0 3 295.810 2.849 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC[C@@H](O)CC ZINC000778172824 628283565 /nfs/dbraw/zinc/28/35/65/628283565.db2.gz PNYNSRAFENWAOG-ZDUSSCGKSA-N 0 3 295.810 2.993 20 30 CFEDHN CCC(=NNCCOC(C)C)c1ccc(N(C)C)cc1 ZINC000778550910 628315076 /nfs/dbraw/zinc/31/50/76/628315076.db2.gz FXEIJLJRSRDRQK-UHFFFAOYSA-N 0 3 277.412 2.881 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000852097559 634650984 /nfs/dbraw/zinc/65/09/84/634650984.db2.gz QYMPQXLJGXQARW-HLLBOEOZSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCCCNCc1cc(O)c(OC)cc1Br ZINC000779087103 628351528 /nfs/dbraw/zinc/35/15/28/628351528.db2.gz MAJVBSXSFKLZQB-UHFFFAOYSA-N 0 3 298.180 2.666 20 30 CFEDHN CC(Cc1ccc(C(F)(F)F)cc1)=NNC1=N[C@H](C)CN1 ZINC000779804944 628408319 /nfs/dbraw/zinc/40/83/19/628408319.db2.gz HWXHCDMERUJWGL-SNVBAGLBSA-N 0 3 298.312 2.561 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc3n[nH]cc3c2)CN1C1CC1 ZINC000779817102 628410351 /nfs/dbraw/zinc/41/03/51/628410351.db2.gz BVUKCRNJKVOOPT-JTQLQIEISA-N 0 3 269.352 2.587 20 30 CFEDHN Cc1ccccc1[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC000780334547 628456059 /nfs/dbraw/zinc/45/60/59/628456059.db2.gz XQOWKSLEPZFDDR-HNNXBMFYSA-N 0 3 258.365 2.654 20 30 CFEDHN C#C[C@](C)(CC)NCc1ccc(OCC(F)(F)F)nc1 ZINC000852102806 634658028 /nfs/dbraw/zinc/65/80/28/634658028.db2.gz QITDIDBCJYBJJL-CYBMUJFWSA-N 0 3 286.297 2.914 20 30 CFEDHN C#C[C@](C)(CC)NC[C@H](O)c1ccc(F)cc1Cl ZINC000852103734 634658740 /nfs/dbraw/zinc/65/87/40/634658740.db2.gz PUOUASOCDUEAHO-UONOGXRCSA-N 0 3 269.747 2.904 20 30 CFEDHN C=CCc1cc(CNC2CSC2)cc(OC)c1OC ZINC000780880489 628501819 /nfs/dbraw/zinc/50/18/19/628501819.db2.gz ZUXOQQQVNGHZLR-UHFFFAOYSA-N 0 3 279.405 2.637 20 30 CFEDHN C[C@@H](Cc1cnccn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000781420376 628547891 /nfs/dbraw/zinc/54/78/91/628547891.db2.gz JSVZXFFEIPXWBF-RYUDHWBXSA-N 0 3 284.338 2.769 20 30 CFEDHN CC1(C(=O)C(C#N)c2nc3cc(F)ccc3s2)COC1 ZINC000782603238 628646877 /nfs/dbraw/zinc/64/68/77/628646877.db2.gz JPUADWGAXILSSG-SECBINFHSA-N 0 3 290.319 2.648 20 30 CFEDHN N#Cc1ccc(CNC2CCN(c3ccccc3)CC2)nc1 ZINC000783294832 628698291 /nfs/dbraw/zinc/69/82/91/628698291.db2.gz WWDACDTUEPJZMM-UHFFFAOYSA-N 0 3 292.386 2.712 20 30 CFEDHN Cc1ccc([C@H](C)NCc2ccc(C#N)cn2)c(O)c1 ZINC000783299829 628698963 /nfs/dbraw/zinc/69/89/63/628698963.db2.gz GCWPFJXADJABQJ-LBPRGKRZSA-N 0 3 267.332 2.818 20 30 CFEDHN COc1cccc(C[C@H](C)NCc2cc(C#N)ccc2F)n1 ZINC000783518157 628715835 /nfs/dbraw/zinc/71/58/35/628715835.db2.gz KEGPBUICQCEXCV-LBPRGKRZSA-N 0 3 299.349 2.822 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000783598894 628725064 /nfs/dbraw/zinc/72/50/64/628725064.db2.gz DPBWXSOKOHTCMH-AWEZNQCLSA-N 0 3 286.375 2.590 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccccn1 ZINC000852192862 634685258 /nfs/dbraw/zinc/68/52/58/634685258.db2.gz VKWLOVATZQXOOM-GUYCJALGSA-N 0 3 281.359 2.680 20 30 CFEDHN C#CCOCCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000852215565 634692809 /nfs/dbraw/zinc/69/28/09/634692809.db2.gz RLAZDRMIRUFBRE-BZSNNMDCSA-N 0 3 285.387 2.631 20 30 CFEDHN C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805797072 628937546 /nfs/dbraw/zinc/93/75/46/628937546.db2.gz JZJYHHALVQGIHY-STQMWFEESA-N 0 3 268.401 2.940 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786544956 628967858 /nfs/dbraw/zinc/96/78/58/628967858.db2.gz ZUCGWBZEKSLQGP-OAHLLOKOSA-N 0 3 284.359 2.676 20 30 CFEDHN C=CCCCOC(=O)CCN1CCc2ccccc2C1 ZINC000786816529 628980269 /nfs/dbraw/zinc/98/02/69/628980269.db2.gz YMSFMICSMLOFON-UHFFFAOYSA-N 0 3 273.376 2.944 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCC1 ZINC000787074082 628991335 /nfs/dbraw/zinc/99/13/35/628991335.db2.gz XGPNFAHHBBXEPC-HNNXBMFYSA-N 0 3 284.359 2.544 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCCC1 ZINC000787069986 628991607 /nfs/dbraw/zinc/99/16/07/628991607.db2.gz DDVBEDXUIBEABX-MRXNPFEDSA-N 0 3 298.386 2.934 20 30 CFEDHN CC(=NN[C@@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000788440521 629067159 /nfs/dbraw/zinc/06/71/59/629067159.db2.gz VJEWRQWFTFDWPL-MRXNPFEDSA-N 0 3 287.407 2.779 20 30 CFEDHN C#CCC1(C(=O)N(C)[C@H]2CCCN(C)C2)CCCCC1 ZINC000788512588 629076860 /nfs/dbraw/zinc/07/68/60/629076860.db2.gz YUZFVVUZWSLLHE-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN CN(CCCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852305389 634716735 /nfs/dbraw/zinc/71/67/35/634716735.db2.gz PGTRCVABZRCDNA-UHFFFAOYSA-N 0 3 269.389 2.525 20 30 CFEDHN C#CCN(C1CCCCC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000790270336 629224409 /nfs/dbraw/zinc/22/44/09/629224409.db2.gz JNOLMINSJIWAGQ-MRXNPFEDSA-N 0 3 276.424 2.654 20 30 CFEDHN Cc1ccc([C@@H](O)CN2CCC[C@@H](CC#N)C2)cc1 ZINC000852320051 634721277 /nfs/dbraw/zinc/72/12/77/634721277.db2.gz VCAFCAWAXBJRHV-HOCLYGCPSA-N 0 3 258.365 2.654 20 30 CFEDHN N#Cc1ccc(N2CCN(CCC3CCCC3)CC2)cn1 ZINC000791054464 629283969 /nfs/dbraw/zinc/28/39/69/629283969.db2.gz VJFQPOVRYSPLKC-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN C[C@@H]1C[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000791573873 629335405 /nfs/dbraw/zinc/33/54/05/629335405.db2.gz JOARRGAGVHBURA-GRYCIOLGSA-N 0 3 299.399 2.955 20 30 CFEDHN COC(C)(C)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792101585 629397235 /nfs/dbraw/zinc/39/72/35/629397235.db2.gz BLIAKRSPORNOKB-ZDUSSCGKSA-N 0 3 268.316 2.836 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110012 629398308 /nfs/dbraw/zinc/39/83/08/629398308.db2.gz XERAYJLPBHXXSX-ABZNLYFFSA-N 0 3 263.300 2.772 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792384163 629423654 /nfs/dbraw/zinc/42/36/54/629423654.db2.gz GHQCEFMBCJGLDI-CYBMUJFWSA-N 0 3 276.355 2.866 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC=C(c2ccccc2)C1 ZINC000792934205 629468328 /nfs/dbraw/zinc/46/83/28/629468328.db2.gz UXFLZHGCHSJTHF-AWEZNQCLSA-N 0 3 256.349 2.704 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(Cl)n1 ZINC000793162474 629494864 /nfs/dbraw/zinc/49/48/64/629494864.db2.gz ALIBLGHREBZTMQ-UHFFFAOYSA-N 0 3 275.743 2.642 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cccc(Cl)n1 ZINC000793163389 629495737 /nfs/dbraw/zinc/49/57/37/629495737.db2.gz JPCAPJLFIQEQPE-SECBINFHSA-N 0 3 264.760 2.617 20 30 CFEDHN C#CC[C@H](OC(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000835201107 629516219 /nfs/dbraw/zinc/51/62/19/629516219.db2.gz SLTIJXJTESMWLY-INIZCTEOSA-N 0 3 273.376 2.953 20 30 CFEDHN C=CCCCCC[C@@H](C)NCc1nnc2n1CCC2 ZINC000793524927 629561639 /nfs/dbraw/zinc/56/16/39/629561639.db2.gz MNSWYILRWBCMQK-CYBMUJFWSA-N 0 3 262.401 2.839 20 30 CFEDHN C=CCCCCC[C@H](C)NCc1nncn1CC ZINC000793525652 629561722 /nfs/dbraw/zinc/56/17/22/629561722.db2.gz PHKIZDKZEJUCIQ-ZDUSSCGKSA-N 0 3 250.390 2.913 20 30 CFEDHN C=CCCCCC[C@@H](C)NCc1nncn1CC ZINC000793525649 629562199 /nfs/dbraw/zinc/56/21/99/629562199.db2.gz PHKIZDKZEJUCIQ-CYBMUJFWSA-N 0 3 250.390 2.913 20 30 CFEDHN CC[C@H](CC#N)OC(=O)c1cccc(CN(C)C)c1 ZINC000835341031 629641824 /nfs/dbraw/zinc/64/18/24/629641824.db2.gz RHNVLULUXZJYHN-CQSZACIVSA-N 0 3 260.337 2.597 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NC(C)(C)C ZINC000795328864 629761599 /nfs/dbraw/zinc/76/15/99/629761599.db2.gz JKBTTWQSJBBJSY-HOCLYGCPSA-N 0 3 286.419 2.514 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796631702 629942960 /nfs/dbraw/zinc/94/29/60/629942960.db2.gz IIFHLNKNVGHNFH-ZYHUDNBSSA-N 0 3 292.285 2.769 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000796639467 629943767 /nfs/dbraw/zinc/94/37/67/629943767.db2.gz MUYPRZCRZOWZKV-LJQANCHMSA-N 0 3 279.383 2.725 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1occ2c1CCC2 ZINC000796789677 629967666 /nfs/dbraw/zinc/96/76/66/629967666.db2.gz PFLZICVIGVGPBB-AWEZNQCLSA-N 0 3 294.310 2.729 20 30 CFEDHN N#Cc1cccc(C2(NC/C=C/Cl)CCOCC2)c1 ZINC000852567163 634782907 /nfs/dbraw/zinc/78/29/07/634782907.db2.gz YQULSGKBUSUZLL-FARCUNLSSA-N 0 3 276.767 2.906 20 30 CFEDHN C=CCC1([NH2+]CCC[N-]C(=O)C(F)(F)F)CCCC1 ZINC000852588007 634786939 /nfs/dbraw/zinc/78/69/39/634786939.db2.gz LKPDPSYQLCBDPS-UHFFFAOYSA-N 0 3 278.318 2.534 20 30 CFEDHN N#CCOc1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000852673431 634803815 /nfs/dbraw/zinc/80/38/15/634803815.db2.gz RCFWLSZFDGOLJO-UHFFFAOYSA-N 0 3 297.358 2.957 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC[C@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000799717465 630338489 /nfs/dbraw/zinc/33/84/89/630338489.db2.gz GJYXIBOZQVXGJK-BNOWGMLFSA-N 0 3 298.308 2.718 20 30 CFEDHN C#CCN(Cc1ccc(C#N)c(OC)c1)C1CCCC1 ZINC000799733461 630341355 /nfs/dbraw/zinc/34/13/55/630341355.db2.gz KVTCHDMNVCXUEB-UHFFFAOYSA-N 0 3 268.360 2.945 20 30 CFEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000800384491 630375990 /nfs/dbraw/zinc/37/59/90/630375990.db2.gz DFKHHVNYVGUTPK-ZFWWWQNUSA-N 0 3 286.375 2.838 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801578156 630459977 /nfs/dbraw/zinc/45/99/77/630459977.db2.gz FLMBEOFBNNBQTE-SJLPKXTDSA-N 0 3 271.404 2.814 20 30 CFEDHN C[C@H](C#N)OCCN(C)CCOc1ccc(Cl)cc1 ZINC000801912037 630485254 /nfs/dbraw/zinc/48/52/54/630485254.db2.gz GMIWCXZPKFSLRN-GFCCVEGCSA-N 0 3 282.771 2.579 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000801910956 630485405 /nfs/dbraw/zinc/48/54/05/630485405.db2.gz QUBINASPQQLXDT-SWLSCSKDSA-N 0 3 262.328 2.891 20 30 CFEDHN CCc1nc(C)c([C@H](C)N(C)CCO[C@H](C)C#N)s1 ZINC000801922454 630487584 /nfs/dbraw/zinc/48/75/84/630487584.db2.gz JUJAENNSYRNQJR-PWSUYJOCSA-N 0 3 281.425 2.935 20 30 CFEDHN COc1ccccc1[C@H]1CCCN1CCO[C@@H](C)C#N ZINC000801917762 630487953 /nfs/dbraw/zinc/48/79/53/630487953.db2.gz OSEGXAALBQDAJX-DZGCQCFKSA-N 0 3 274.364 2.761 20 30 CFEDHN CCc1nc(C)c([C@@H](C)N(C)CCO[C@@H](C)C#N)s1 ZINC000801922446 630488653 /nfs/dbraw/zinc/48/86/53/630488653.db2.gz JUJAENNSYRNQJR-CMPLNLGQSA-N 0 3 281.425 2.935 20 30 CFEDHN CC[C@H](NCCO[C@H](C)C#N)c1ccccc1OC ZINC000801938062 630492110 /nfs/dbraw/zinc/49/21/10/630492110.db2.gz YFDHJRWAGRKDIR-OCCSQVGLSA-N 0 3 262.353 2.665 20 30 CFEDHN CC[C@@H](NCCO[C@@H](C)C#N)c1cc(F)ccc1F ZINC000801939755 630492246 /nfs/dbraw/zinc/49/22/46/630492246.db2.gz RRJZANXWZOOYCC-IINYFYTJSA-N 0 3 268.307 2.934 20 30 CFEDHN C#CCN[C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801957285 630495148 /nfs/dbraw/zinc/49/51/48/630495148.db2.gz HFMISTNOMNSXIF-LSDHHAIUSA-N 0 3 280.774 2.837 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000804458548 630683871 /nfs/dbraw/zinc/68/38/71/630683871.db2.gz MHWNQKIOQVMUPT-XYJFISCASA-N 0 3 298.430 2.610 20 30 CFEDHN C#C[C@@H](NC(=O)CN(C)CCCCCC)C(C)(C)C ZINC000807877980 630916771 /nfs/dbraw/zinc/91/67/71/630916771.db2.gz CKYFSJQOGHUMFR-CQSZACIVSA-N 0 3 266.429 2.663 20 30 CFEDHN CC(=NN[C@@H]1CCSC1)c1ccccc1N(C)C ZINC000808001921 630937705 /nfs/dbraw/zinc/93/77/05/630937705.db2.gz RODRPNZZLWDWKI-GFCCVEGCSA-N 0 3 263.410 2.572 20 30 CFEDHN C=CCO[N-]C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000837049088 630946315 /nfs/dbraw/zinc/94/63/15/630946315.db2.gz YRLFQAHJFAJCGD-UHFFFAOYSA-N 0 3 288.391 2.523 20 30 CFEDHN CC(C)(C)C#CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000837306733 630993926 /nfs/dbraw/zinc/99/39/26/630993926.db2.gz GYYRBKUNUYSNPG-UHFFFAOYSA-N 0 3 298.430 2.817 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC000837361769 631013327 /nfs/dbraw/zinc/01/33/27/631013327.db2.gz ULBDLOOGWJXUPM-DOTOQJQBSA-N 0 3 298.430 2.988 20 30 CFEDHN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)Cc1ccccc1 ZINC000837411690 631023857 /nfs/dbraw/zinc/02/38/57/631023857.db2.gz XMBWTWCHIFKFOG-OAHLLOKOSA-N 0 3 286.419 2.673 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC000837464857 631038039 /nfs/dbraw/zinc/03/80/39/631038039.db2.gz LMKFXLFITFCFJI-NVXWUHKLSA-N 0 3 298.430 2.815 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC000837531942 631057277 /nfs/dbraw/zinc/05/72/77/631057277.db2.gz JPFBDJQIGLVVEZ-NVXWUHKLSA-N 0 3 298.430 2.673 20 30 CFEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C#CC1CC1 ZINC000837538372 631060016 /nfs/dbraw/zinc/06/00/16/631060016.db2.gz PKLBQFBFGFMGNH-SFHVURJKSA-N 0 3 298.430 2.673 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1 ZINC000809425054 631224493 /nfs/dbraw/zinc/22/44/93/631224493.db2.gz SHFJMMDGDKVPEC-MRXNPFEDSA-N 0 3 265.360 2.569 20 30 CFEDHN CC(C)N(Cc1cccc(Cl)c1)C[C@H](O)CC#N ZINC000809572525 631236891 /nfs/dbraw/zinc/23/68/91/631236891.db2.gz OPYHXTBLHLWKCH-CQSZACIVSA-N 0 3 266.772 2.825 20 30 CFEDHN Cc1ccc(CN(C[C@H](O)CC#N)C(C)C)s1 ZINC000809572511 631237659 /nfs/dbraw/zinc/23/76/59/631237659.db2.gz OHGWRINHJUTWGA-GFCCVEGCSA-N 0 3 252.383 2.542 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000809603830 631245151 /nfs/dbraw/zinc/24/51/51/631245151.db2.gz AIUQRLBYOLBNMS-UHFFFAOYSA-N 0 3 291.398 2.953 20 30 CFEDHN C=CCNCc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840872356 631247108 /nfs/dbraw/zinc/24/71/08/631247108.db2.gz JWHXCVXHAVOGCP-UHFFFAOYSA-N 0 3 263.337 2.676 20 30 CFEDHN C#C[C@H](NC1CC(c2cc(F)cc(F)c2)C1)[C@@H]1CCCO1 ZINC000809642344 631254296 /nfs/dbraw/zinc/25/42/96/631254296.db2.gz HCUOXAKPWWCIRJ-PFWSDMIYSA-N 0 3 291.341 2.981 20 30 CFEDHN C#C[C@@H](NC1CC(c2cc(F)cc(F)c2)C1)[C@@H]1CCCO1 ZINC000809642348 631254743 /nfs/dbraw/zinc/25/47/43/631254743.db2.gz HCUOXAKPWWCIRJ-ULNHQPMUSA-N 0 3 291.341 2.981 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OCCCC)c(OC)c1 ZINC000809683819 631261664 /nfs/dbraw/zinc/26/16/64/631261664.db2.gz QJZHAPHKXISASA-ZDUSSCGKSA-N 0 3 261.365 2.985 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OCCC)c(OCC)c1 ZINC000809683597 631261865 /nfs/dbraw/zinc/26/18/65/631261865.db2.gz HRDFTUJDPMHRGC-ZDUSSCGKSA-N 0 3 261.365 2.985 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000809698125 631267083 /nfs/dbraw/zinc/26/70/83/631267083.db2.gz WFEGADCTPDVODC-HUUCEWRRSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC000810518678 631380384 /nfs/dbraw/zinc/38/03/84/631380384.db2.gz NQRAWJJYTBIIAD-QGZVFWFLSA-N 0 3 294.414 2.603 20 30 CFEDHN N#CC(C(=O)[C@H]1CCCSC1)c1nc2ccccc2[nH]1 ZINC000810519189 631380446 /nfs/dbraw/zinc/38/04/46/631380446.db2.gz AKRVYNXGSOVBOI-QWRGUYRKSA-N 0 3 285.372 2.882 20 30 CFEDHN CN(C)C1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCC1 ZINC000841465149 631409440 /nfs/dbraw/zinc/40/94/40/631409440.db2.gz AMHPWJWCERWUMU-MRXNPFEDSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810684818 631426135 /nfs/dbraw/zinc/42/61/35/631426135.db2.gz JVIGZSOCWQZDSS-HNNXBMFYSA-N 0 3 270.392 2.671 20 30 CFEDHN C#C[C@H](NCCc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000811492187 631570322 /nfs/dbraw/zinc/57/03/22/631570322.db2.gz XTYTVXOEFOAICK-LSDHHAIUSA-N 0 3 281.758 2.792 20 30 CFEDHN C/C(C=Nn1cnnc1)=C/c1ccccc1OC(F)F ZINC000811628925 631589985 /nfs/dbraw/zinc/58/99/85/631589985.db2.gz OCIRJIYSQWEBFT-MEHKYNQLSA-N 0 3 278.262 2.817 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN(CC)CCO)cc1 ZINC000842533886 631655348 /nfs/dbraw/zinc/65/53/48/631655348.db2.gz COAXKSWWIBZNLS-UHFFFAOYSA-N 0 3 291.439 2.961 20 30 CFEDHN C#CCOc1ccccc1CN(CC)C[C@H](C)OC ZINC000812808380 631786680 /nfs/dbraw/zinc/78/66/80/631786680.db2.gz VSLGACKASJHIBM-AWEZNQCLSA-N 0 3 261.365 2.555 20 30 CFEDHN COC[C@H](C)[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000813061923 631822456 /nfs/dbraw/zinc/82/24/56/631822456.db2.gz XEWCGMGLJNLSAR-SRVKXCTJSA-N 0 3 286.331 2.923 20 30 CFEDHN COC[C@H](C)[C@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000813061922 631822640 /nfs/dbraw/zinc/82/26/40/631822640.db2.gz XEWCGMGLJNLSAR-SDDRHHMPSA-N 0 3 286.331 2.923 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCCC#N)c1ccccc1 ZINC000813091329 631832776 /nfs/dbraw/zinc/83/27/76/631832776.db2.gz WBCQAUUPEFYZBZ-HUUCEWRRSA-N 0 3 297.358 2.657 20 30 CFEDHN C=CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104132 631840480 /nfs/dbraw/zinc/84/04/80/631840480.db2.gz KJZSWIBXKLNUKY-OCCSQVGLSA-N 0 3 277.320 2.945 20 30 CFEDHN CO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813219026 631882623 /nfs/dbraw/zinc/88/26/23/631882623.db2.gz VMNZSCJNYZZTGB-GWCFXTLKSA-N 0 3 298.264 2.702 20 30 CFEDHN C=CCCOCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215754 631882913 /nfs/dbraw/zinc/88/29/13/631882913.db2.gz KGXDBRIMHDENKE-NSHDSACASA-N 0 3 298.264 2.869 20 30 CFEDHN CC(C)O[C@@H]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000843413693 631948197 /nfs/dbraw/zinc/94/81/97/631948197.db2.gz MQDWPBAEIXJNCZ-WMLDXEAASA-N 0 3 288.391 2.977 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1 ZINC000843413677 631948204 /nfs/dbraw/zinc/94/82/04/631948204.db2.gz LQHWAXWOXMKWRK-QGZVFWFLSA-N 0 3 273.376 2.698 20 30 CFEDHN C#C[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC000813778372 631958426 /nfs/dbraw/zinc/95/84/26/631958426.db2.gz YCUXSDBSORKROO-HUUCEWRRSA-N 0 3 278.440 2.661 20 30 CFEDHN CCCCCCCCOCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000814142978 632017177 /nfs/dbraw/zinc/01/71/77/632017177.db2.gz IHZKQQYEAXKUSC-HZPDHXFCSA-N 0 3 296.455 2.526 20 30 CFEDHN C#CCOc1ccccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000814178110 632025231 /nfs/dbraw/zinc/02/52/31/632025231.db2.gz CERGBTCEPYWZKA-GOSISDBHSA-N 0 3 299.414 2.947 20 30 CFEDHN C#CCCCCCC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000843988346 632088662 /nfs/dbraw/zinc/08/86/62/632088662.db2.gz IXRBYICYDLRGIN-OAHLLOKOSA-N 0 3 264.413 2.513 20 30 CFEDHN Nc1ccc2c(c1)C(=NNC[C@@H]1CCSC1)CCC2 ZINC000814934607 632172840 /nfs/dbraw/zinc/17/28/40/632172840.db2.gz BQHDMKGOBCENHN-NSHDSACASA-N 0 3 275.421 2.652 20 30 CFEDHN N#Cc1ccc(N2CCN([C@H]3C=CCCCCC3)CC2)cn1 ZINC000815101890 632202370 /nfs/dbraw/zinc/20/23/70/632202370.db2.gz CTCPMUBVZUSWAU-KRWDZBQOSA-N 0 3 296.418 2.964 20 30 CFEDHN C[C@@H](C#N)OCCN1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000844426649 632207386 /nfs/dbraw/zinc/20/73/86/632207386.db2.gz ZJUCZVSXNUOMGD-KBPBESRZSA-N 0 3 296.411 2.501 20 30 CFEDHN CCCCCCCCCN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844435274 632210281 /nfs/dbraw/zinc/21/02/81/632210281.db2.gz WSMYUYDDLJMOTA-ZQIUZPCESA-N 0 3 257.443 2.942 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000815209386 632229504 /nfs/dbraw/zinc/22/95/04/632229504.db2.gz VFCPIYBIYBJMSF-IUODEOHRSA-N 0 3 294.782 2.722 20 30 CFEDHN C=C[C@H](C)ONC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000845615687 632485366 /nfs/dbraw/zinc/48/53/66/632485366.db2.gz BPBCUALAXISNCY-AVGNSLFASA-N 0 3 295.383 2.514 20 30 CFEDHN CC([C@@H](OC(=O)CCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845876275 632588736 /nfs/dbraw/zinc/58/87/36/632588736.db2.gz BSDNXQNPJRWGEE-QMTHXVAHSA-N 0 3 294.282 2.769 20 30 CFEDHN CC(C)(C)OC(=O)NC1CC(NCC2(C#N)CCCC2)C1 ZINC000846010690 632613786 /nfs/dbraw/zinc/61/37/86/632613786.db2.gz MSVCZEKKCSZLHG-UHFFFAOYSA-N 0 3 293.411 2.716 20 30 CFEDHN C[C@]1(CCNCc2nc(C#N)cs2)C[C@@]1(F)Cl ZINC000846041428 632621526 /nfs/dbraw/zinc/62/15/26/632621526.db2.gz ZVBCWHQTUGEEQN-QWRGUYRKSA-N 0 3 273.764 2.809 20 30 CFEDHN C=C(C)CO[N-]C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000846539637 632728298 /nfs/dbraw/zinc/72/82/98/632728298.db2.gz KLEKMKHBYVFKHO-UHFFFAOYSA-N 0 3 288.391 2.523 20 30 CFEDHN CCCCCCCCCNC(=O)[C@@H](N)C1CCC1 ZINC000817906847 632729090 /nfs/dbraw/zinc/72/90/90/632729090.db2.gz JFNXBDZTZXWMBA-AWEZNQCLSA-N 0 3 254.418 2.981 20 30 CFEDHN C=C[C@H](C)O[N-]C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000846549201 632737526 /nfs/dbraw/zinc/73/75/26/632737526.db2.gz IQWZRNLCMQDMDQ-AWEZNQCLSA-N 0 3 288.391 2.521 20 30 CFEDHN CC(=O)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000846948360 632855198 /nfs/dbraw/zinc/85/51/98/632855198.db2.gz QARPCPSXDOVFQW-UHFFFAOYSA-N 0 3 286.375 2.628 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](CCC=C)c1ccccc1 ZINC000818589023 632873629 /nfs/dbraw/zinc/87/36/29/632873629.db2.gz MYTQTSCUYXIFPI-GOSISDBHSA-N 0 3 298.430 2.808 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000818595709 632875797 /nfs/dbraw/zinc/87/57/97/632875797.db2.gz KPQJIFJTDLEVCC-BRWVUGGUSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccccc1CC(C)C ZINC000818603257 632877849 /nfs/dbraw/zinc/87/78/49/632877849.db2.gz WIVVPCXIQFWWBQ-UHFFFAOYSA-N 0 3 286.419 2.570 20 30 CFEDHN C#C[C@H]1CCCN(CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000847030890 632896495 /nfs/dbraw/zinc/89/64/95/632896495.db2.gz OQLOXNIHSKAGAZ-HNNXBMFYSA-N 0 3 298.386 2.563 20 30 CFEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)Cc2ccccc21 ZINC000848396290 633247798 /nfs/dbraw/zinc/24/77/98/633247798.db2.gz KRJPBOYFUVHNSY-CJNGLKHVSA-N 0 3 285.391 2.544 20 30 CFEDHN Cc1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848405588 633250578 /nfs/dbraw/zinc/25/05/78/633250578.db2.gz QGBJJKZGYPNBLQ-AWEZNQCLSA-N 0 3 258.369 2.806 20 30 CFEDHN Fc1cc(N=NC2CCCN3CCCC[C@H]23)ccn1 ZINC000848408297 633251172 /nfs/dbraw/zinc/25/11/72/633251172.db2.gz IQQWGCWKSIENAV-CYBMUJFWSA-N 0 3 262.332 2.637 20 30 CFEDHN C#CCN(Cc1ccc(/C=C\C(=O)OC)o1)C1CCCC1 ZINC000848890003 633364724 /nfs/dbraw/zinc/36/47/24/633364724.db2.gz PXYIWUQACHGNBJ-KHPPLWFESA-N 0 3 287.359 2.844 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000848923063 633405207 /nfs/dbraw/zinc/40/52/07/633405207.db2.gz DQQAABUPFDLIBP-ZDUSSCGKSA-N 0 3 259.349 2.549 20 30 CFEDHN CCCCCCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000858112192 636130390 /nfs/dbraw/zinc/13/03/90/636130390.db2.gz IPYHXMTYHIEITB-AWEZNQCLSA-N 0 3 281.444 2.906 20 30 CFEDHN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nc2ccccc2[nH]1 ZINC000850739039 634068900 /nfs/dbraw/zinc/06/89/00/634068900.db2.gz RVKCTSNLNBGDNZ-QCNOEVLYSA-N 0 3 265.316 2.785 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)CC#N)nc21 ZINC000850850332 634110026 /nfs/dbraw/zinc/11/00/26/634110026.db2.gz UTSFCIUQRKPDKT-WDEREUQCSA-N 0 3 266.304 2.597 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@]2(C)OC)c([O-])c1 ZINC000852998810 634871496 /nfs/dbraw/zinc/87/14/96/634871496.db2.gz RQFWXXZZGRGDKF-XEBPYGPHSA-N 0 3 276.380 2.835 20 30 CFEDHN C#Cc1cccnc1NC[C@H](c1cccs1)N(C)C ZINC000853087812 634899829 /nfs/dbraw/zinc/89/98/29/634899829.db2.gz MPSLBLIVBLMMBS-CYBMUJFWSA-N 0 3 271.389 2.839 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccnc(Cl)c1 ZINC000853395292 634992209 /nfs/dbraw/zinc/99/22/09/634992209.db2.gz RWHPIXDGRODEFE-SECBINFHSA-N 0 3 264.760 2.617 20 30 CFEDHN C#CCCCOc1cccnc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000853435281 634998461 /nfs/dbraw/zinc/99/84/61/634998461.db2.gz JMPBSXWTNAEGFK-CABCVRRESA-N 0 3 299.418 2.911 20 30 CFEDHN OC1CCN(c2ccc(C=NOCC3CCC3)cc2)CC1 ZINC000853440729 635001612 /nfs/dbraw/zinc/00/16/12/635001612.db2.gz MEZQYYXEHPLJMH-UHFFFAOYSA-N 0 3 288.391 2.798 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000853519423 635026386 /nfs/dbraw/zinc/02/63/86/635026386.db2.gz RLRJCBRGCBGMMZ-CQSZACIVSA-N 0 3 285.387 2.721 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000853536388 635030830 /nfs/dbraw/zinc/03/08/30/635030830.db2.gz BOHMTCFRBURPTB-ZDUSSCGKSA-N 0 3 264.413 2.879 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](CCC)CC1=O ZINC000853597520 635044935 /nfs/dbraw/zinc/04/49/35/635044935.db2.gz AUHAUEVLPOVBLT-SOUVJXGZSA-N 0 3 262.397 2.776 20 30 CFEDHN C#CCC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCCCC1 ZINC000855165494 635473483 /nfs/dbraw/zinc/47/34/83/635473483.db2.gz WOLBMBMRHPUNNP-HNNXBMFYSA-N 0 3 290.451 2.949 20 30 CFEDHN CCCCCCCC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000855362356 635519107 /nfs/dbraw/zinc/51/91/07/635519107.db2.gz MQGRIVNNCSJMSK-AWEZNQCLSA-N 0 3 254.418 2.900 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000856201290 635755451 /nfs/dbraw/zinc/75/54/51/635755451.db2.gz YEVMNBSZNCAFLJ-JKIFEVAISA-N 0 3 294.414 2.909 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000857857343 636036173 /nfs/dbraw/zinc/03/61/73/636036173.db2.gz BVMSDBNTRLBCSS-AWEZNQCLSA-N 0 3 270.311 2.588 20 30 CFEDHN N#CC(C(=O)C1CC=CC1)c1nc2ccccc2[nH]1 ZINC000158631785 650232580 /nfs/dbraw/zinc/23/25/80/650232580.db2.gz AKNFLRYMTMBYEP-LLVKDONJSA-N 0 3 251.289 2.705 20 30 CFEDHN CC(=O)N(C)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000858250678 636164135 /nfs/dbraw/zinc/16/41/35/636164135.db2.gz OPWQHWYBZYJWLL-UHFFFAOYSA-N 0 3 299.399 2.892 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccccc1Cl ZINC000858332437 636193286 /nfs/dbraw/zinc/19/32/86/636193286.db2.gz VYOOMXZSJIXCTE-CYBMUJFWSA-N 0 3 251.757 2.858 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc(F)c(F)c1F ZINC000858334262 636194231 /nfs/dbraw/zinc/19/42/31/636194231.db2.gz KQEVFMPBPKTJQD-LLVKDONJSA-N 0 3 271.282 2.622 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(C(F)(F)F)s1 ZINC000858334981 636195290 /nfs/dbraw/zinc/19/52/90/636195290.db2.gz JPNQMCMPNOWDDA-VIFPVBQESA-N 0 3 277.311 2.895 20 30 CFEDHN C#CC[C@H](COC)NCc1cc2cc(OC)ccc2o1 ZINC000858335169 636196374 /nfs/dbraw/zinc/19/63/74/636196374.db2.gz MPZWIWCZOBSQGX-CYBMUJFWSA-N 0 3 273.332 2.569 20 30 CFEDHN COC(=O)C1=CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000858475363 636262790 /nfs/dbraw/zinc/26/27/90/636262790.db2.gz YNFNJRQJYPXVKF-YGRLFVJLSA-N 0 3 288.322 2.610 20 30 CFEDHN CCCCCCCCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000116309155 636337009 /nfs/dbraw/zinc/33/70/09/636337009.db2.gz AFOFPQZZBKMLTG-UONOGXRCSA-N 0 3 254.418 2.946 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000116592947 636480076 /nfs/dbraw/zinc/48/00/76/636480076.db2.gz DLUKBIHZVXSHFE-RISCZKNCSA-N 0 3 290.338 2.553 20 30 CFEDHN C[C@H](CCC#N)N(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860097401 636785051 /nfs/dbraw/zinc/78/50/51/636785051.db2.gz SVBYZYQXSSUIAJ-NWDGAFQWSA-N 0 3 269.389 2.524 20 30 CFEDHN CCC#C[C@@H](C)N(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860095838 636785125 /nfs/dbraw/zinc/78/51/25/636785125.db2.gz SSQNFBNXKDLNDA-QWHCGFSZSA-N 0 3 268.401 2.633 20 30 CFEDHN C=CCN1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000081518539 636789421 /nfs/dbraw/zinc/78/94/21/636789421.db2.gz QVJHJEPWZOWWQO-CHWSQXEVSA-N 0 3 268.401 2.798 20 30 CFEDHN C[C@H](CCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000160113647 650293499 /nfs/dbraw/zinc/29/34/99/650293499.db2.gz OLSIDKVZSSDUMZ-ZBFHGGJFSA-N 0 3 298.386 2.902 20 30 CFEDHN C[C@H](CCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000160113359 650293547 /nfs/dbraw/zinc/29/35/47/650293547.db2.gz OLSIDKVZSSDUMZ-GDBMZVCRSA-N 0 3 298.386 2.902 20 30 CFEDHN Cc1ccc(CO[C@@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000860656320 636939332 /nfs/dbraw/zinc/93/93/32/636939332.db2.gz IAZAFFBFOBFDIY-ZFWWWQNUSA-N 0 3 295.342 2.567 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015690676 651209956 /nfs/dbraw/zinc/20/99/56/651209956.db2.gz WSHLVFNXFOHHEX-GXTWGEPZSA-N 0 3 278.421 2.618 20 30 CFEDHN C=CCN(C)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862331233 637323351 /nfs/dbraw/zinc/32/33/51/637323351.db2.gz JOURHYKZWLYSNB-LLVKDONJSA-N 0 3 290.354 2.749 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015764163 651213808 /nfs/dbraw/zinc/21/38/08/651213808.db2.gz RPXIFLWDIDNKQB-MRXNPFEDSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000862445299 637386676 /nfs/dbraw/zinc/38/66/76/637386676.db2.gz QCVSAIPYZQETBR-TZMCWYRMSA-N 0 3 276.405 2.840 20 30 CFEDHN C#CCSCCNCc1cc(Cl)ccc1F ZINC000119309999 637572494 /nfs/dbraw/zinc/57/24/94/637572494.db2.gz CSHQPXDYGXVPRN-UHFFFAOYSA-N 0 3 257.761 2.935 20 30 CFEDHN CCCC(=NNc1ccnc(C)c1)c1cccnc1 ZINC000863159065 637573094 /nfs/dbraw/zinc/57/30/94/637573094.db2.gz BCHRKRAEMCOKEX-UHFFFAOYSA-N 0 3 254.337 2.823 20 30 CFEDHN Cc1nn(C(C)(C)C)c(C)c1C=NNc1ccnc(C)c1 ZINC000863159273 637573699 /nfs/dbraw/zinc/57/36/99/637573699.db2.gz JUIGYHAJLIEBDB-UHFFFAOYSA-N 0 3 285.395 2.826 20 30 CFEDHN COc1cc2c(cc1OC)C(=NNc1ccnc(C)c1)CC2 ZINC000863159498 637573979 /nfs/dbraw/zinc/57/39/79/637573979.db2.gz UFOYTKLVMCXILE-UHFFFAOYSA-N 0 3 297.358 2.592 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(F)c(Cl)c2)CN1C ZINC000863179026 637579386 /nfs/dbraw/zinc/57/93/86/637579386.db2.gz NVYAWBSABPMWDD-MRVPVSSYSA-N 0 3 255.724 2.971 20 30 CFEDHN C=CCc1cc(C[N@H+](C)CC2(C)COC2)c([O-])c(OC)c1 ZINC000863298951 637620866 /nfs/dbraw/zinc/62/08/66/637620866.db2.gz QGKPKRJICPUVMO-UHFFFAOYSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(C[N@@H+](C)CC2(C)COC2)c([O-])c(OC)c1 ZINC000863298951 637620871 /nfs/dbraw/zinc/62/08/71/637620871.db2.gz QGKPKRJICPUVMO-UHFFFAOYSA-N 0 3 291.391 2.598 20 30 CFEDHN COc1cc(CN[C@@H]2CCCC[C@@H]2F)ccc1C#N ZINC000865697293 638520666 /nfs/dbraw/zinc/52/06/66/638520666.db2.gz WJSPECFYDDYSJT-UONOGXRCSA-N 0 3 262.328 2.937 20 30 CFEDHN Cn1cc(C(F)F)c(CNC2CCC(C)(C#N)CC2)n1 ZINC000865807165 638585172 /nfs/dbraw/zinc/58/51/72/638585172.db2.gz JJKJVLSFPFXFJM-UHFFFAOYSA-N 0 3 282.338 2.920 20 30 CFEDHN CCN(CC)CCC[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866211396 638771265 /nfs/dbraw/zinc/77/12/65/638771265.db2.gz HGNZXSCNGQUAJH-ZDUSSCGKSA-N 0 3 275.396 2.646 20 30 CFEDHN CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866240768 638777833 /nfs/dbraw/zinc/77/78/33/638777833.db2.gz MXOWORAYVASSGI-KGLIPLIRSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1nccs1 ZINC000866618206 638856235 /nfs/dbraw/zinc/85/62/35/638856235.db2.gz WWUCHTKKYCMGQU-YGRLFVJLSA-N 0 3 269.373 2.833 20 30 CFEDHN C=CCN1CCC(NC(=O)OC2CCCCC2)CC1 ZINC000866744901 638872638 /nfs/dbraw/zinc/87/26/38/638872638.db2.gz WVNBUQQMULJUJO-UHFFFAOYSA-N 0 3 266.385 2.696 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CC/C=C/c1ccccc1 ZINC000121768906 638893645 /nfs/dbraw/zinc/89/36/45/638893645.db2.gz VDKFPAIAWAHEJQ-WGPYJDKQSA-N 0 3 284.359 2.713 20 30 CFEDHN CCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000123545712 641262330 /nfs/dbraw/zinc/26/23/30/641262330.db2.gz AKJGZQIVBNYZON-HNNXBMFYSA-N 0 3 287.407 2.972 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC(c3ccccc3)C2)cc1 ZINC000871988791 641543553 /nfs/dbraw/zinc/54/35/53/641543553.db2.gz RKIHOPGHXOLZPQ-SFHVURJKSA-N 0 3 278.355 2.691 20 30 CFEDHN C#CCCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038341 641572300 /nfs/dbraw/zinc/57/23/00/641572300.db2.gz KGYACKPNYDNRBK-SNVBAGLBSA-N 0 3 250.273 2.798 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872078587 641611046 /nfs/dbraw/zinc/61/10/46/641611046.db2.gz BSSXCLCJEOZRLG-MJVIPROJSA-N 0 3 265.328 2.773 20 30 CFEDHN Cc1ncc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000872220818 641707378 /nfs/dbraw/zinc/70/73/78/641707378.db2.gz NCVQWADKRKVKFH-HZMBPMFUSA-N 0 3 287.388 2.707 20 30 CFEDHN Clc1ccc(C#CCN[C@]23CCC[C@H]2OCC3)cc1 ZINC000872314131 641753301 /nfs/dbraw/zinc/75/33/01/641753301.db2.gz XQHNMDKFBATOHX-CVEARBPZSA-N 0 3 275.779 2.993 20 30 CFEDHN C[C@@H]1C(N=Nc2ncnc3c4ccccc4oc32)CCN1C ZINC000872337340 641758116 /nfs/dbraw/zinc/75/81/16/641758116.db2.gz ALZCVZQLLXTMQZ-SNVBAGLBSA-N 0 3 295.346 2.868 20 30 CFEDHN C[C@H]1C(N=Nc2ncnc3c4ccccc4oc32)CCN1C ZINC000872337339 641758214 /nfs/dbraw/zinc/75/82/14/641758214.db2.gz ALZCVZQLLXTMQZ-JTQLQIEISA-N 0 3 295.346 2.868 20 30 CFEDHN C[C@H]1C(N=Nc2ccc(C#N)c(Cl)c2)CCN1C ZINC000872365465 641771017 /nfs/dbraw/zinc/77/10/17/641771017.db2.gz SCXUKPHAUUKAEW-VIFPVBQESA-N 0 3 262.744 2.704 20 30 CFEDHN CCNc1ccccc1C=NN[C@@H]1CCOC(C)(C)C1 ZINC000872365668 641772590 /nfs/dbraw/zinc/77/25/90/641772590.db2.gz BBKCNEYBYSNOEP-CQSZACIVSA-N 0 3 275.396 3.000 20 30 CFEDHN CSCC[C@@H](C)NCc1cccc(F)c1C#N ZINC000873055133 641997935 /nfs/dbraw/zinc/99/79/35/641997935.db2.gz DJCACQRHQWLXAE-SNVBAGLBSA-N 0 3 252.358 2.929 20 30 CFEDHN C=CC(C)(C)CCCNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000873151188 642033041 /nfs/dbraw/zinc/03/30/41/642033041.db2.gz CITBDLANFSVNCY-HNNXBMFYSA-N 0 3 292.427 2.539 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873158172 642041775 /nfs/dbraw/zinc/04/17/75/642041775.db2.gz SINDJSGSGVRZPO-UWWQBHOKSA-N 0 3 285.387 2.746 20 30 CFEDHN N#Cc1ccc(CNC2CC(Nc3ccccc3)C2)o1 ZINC000873190409 642057273 /nfs/dbraw/zinc/05/72/73/642057273.db2.gz DQGVPQDREULUBU-UHFFFAOYSA-N 0 3 267.332 2.884 20 30 CFEDHN C#CCN(CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000124993244 642378390 /nfs/dbraw/zinc/37/83/90/642378390.db2.gz GUJFONIPVBNSIM-QGZVFWFLSA-N 0 3 257.377 2.652 20 30 CFEDHN C=C(Br)CN[C@@H]1CC(C)(C)OC1(C)C ZINC000125137676 642464459 /nfs/dbraw/zinc/46/44/59/642464459.db2.gz UEONDFINWHNFNB-SECBINFHSA-N 0 3 262.191 2.831 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)ccc1C ZINC000876544153 642913155 /nfs/dbraw/zinc/91/31/55/642913155.db2.gz OWRXVTALXOMKNY-NSHDSACASA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000876550710 642918405 /nfs/dbraw/zinc/91/84/05/642918405.db2.gz BUVLRTQHEDTAAP-CYBMUJFWSA-N 0 3 264.756 2.584 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCSc1ccccc1 ZINC000876554113 642919553 /nfs/dbraw/zinc/91/95/53/642919553.db2.gz CKCAKUFHZIKVSB-ZDUSSCGKSA-N 0 3 298.839 2.755 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000876559605 642922071 /nfs/dbraw/zinc/92/20/71/642922071.db2.gz BLOMPBSTWJSREH-CABCVRRESA-N 0 3 292.810 2.992 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000876558915 642922320 /nfs/dbraw/zinc/92/23/20/642922320.db2.gz YFQFVFLXJNEGHQ-SKDRFNHKSA-N 0 3 287.190 2.987 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](CC)c1ccccc1 ZINC000876561704 642924317 /nfs/dbraw/zinc/92/43/17/642924317.db2.gz QVHQABYFPJZLDK-TZMCWYRMSA-N 0 3 280.799 2.766 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCc1ccc(C)cc1C ZINC000876563427 642925101 /nfs/dbraw/zinc/92/51/01/642925101.db2.gz GWQOMPGPBXMXDF-OAHLLOKOSA-N 0 3 294.826 2.822 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000876570705 642928444 /nfs/dbraw/zinc/92/84/44/642928444.db2.gz MCWNEEYUERHPOD-KBPBESRZSA-N 0 3 278.783 2.724 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000876571930 642929649 /nfs/dbraw/zinc/92/96/49/642929649.db2.gz RUIXVPUTTZXISF-AWEZNQCLSA-N 0 3 292.810 2.694 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)c(C)c1 ZINC000876577691 642931220 /nfs/dbraw/zinc/93/12/20/642931220.db2.gz JVQRXGIYSHJFLZ-LLVKDONJSA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000876591913 642936654 /nfs/dbraw/zinc/93/66/54/642936654.db2.gz CLPDMHFOEXUDGY-LSDHHAIUSA-N 0 3 292.810 2.548 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000876591450 642936795 /nfs/dbraw/zinc/93/67/95/642936795.db2.gz LJCYZYKTYRJKKQ-RYUDHWBXSA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000876592966 642937259 /nfs/dbraw/zinc/93/72/59/642937259.db2.gz VQNPLPKPPCHXCS-UONOGXRCSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccccc1 ZINC000876594498 642937912 /nfs/dbraw/zinc/93/79/12/642937912.db2.gz OGKLHUIHUJRFTR-CYBMUJFWSA-N 0 3 280.799 2.550 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC)c(F)c1 ZINC000876609721 642944069 /nfs/dbraw/zinc/94/40/69/642944069.db2.gz WIDCGXBMYDVOFI-LLVKDONJSA-N 0 3 286.734 2.633 20 30 CFEDHN CCCCCCC[C@@H](C)CNC(=O)c1c(CN)cnn1C ZINC000876611571 642945100 /nfs/dbraw/zinc/94/51/00/642945100.db2.gz KDGMJDTYQVAGAR-CYBMUJFWSA-N 0 3 294.443 2.605 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cccc(CC)c21 ZINC000876632260 642951203 /nfs/dbraw/zinc/95/12/03/642951203.db2.gz RVLHEHHXMLCPOI-CYBMUJFWSA-N 0 3 278.783 2.608 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000876649779 642958224 /nfs/dbraw/zinc/95/82/24/642958224.db2.gz FNLAHPFQAVLCSB-KGLIPLIRSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000876650222 642958820 /nfs/dbraw/zinc/95/88/20/642958820.db2.gz PQCDCLRJONPKAB-OCCSQVGLSA-N 0 3 280.799 2.951 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000876656882 642960777 /nfs/dbraw/zinc/96/07/77/642960777.db2.gz HVAMPIWDTLKVLH-UHTWSYAYSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1C[C@H](C)Oc2cc(C)ccc21 ZINC000876665617 642963818 /nfs/dbraw/zinc/96/38/18/642963818.db2.gz CUVRXNFCDIJPDO-NWDGAFQWSA-N 0 3 294.782 2.579 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCCCC1(C)C ZINC000876668079 642964807 /nfs/dbraw/zinc/96/48/07/642964807.db2.gz GJVCDWNDCVQIEZ-MNOVXSKESA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccc(C)s1 ZINC000876673432 642967091 /nfs/dbraw/zinc/96/70/91/642967091.db2.gz NDYGLRGMWTVOOG-SKDRFNHKSA-N 0 3 286.828 2.574 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](SCC)C1 ZINC000876701805 642980162 /nfs/dbraw/zinc/98/01/62/642980162.db2.gz YCWSIHDHIZTNLZ-WOPDTQHZSA-N 0 3 290.860 2.637 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC)c1ccccn1 ZINC000876755139 642995792 /nfs/dbraw/zinc/99/57/92/642995792.db2.gz RURNQWFBRFFQDF-AAEUAGOBSA-N 0 3 281.787 2.509 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC)c1ccccn1 ZINC000876755140 642996128 /nfs/dbraw/zinc/99/61/28/642996128.db2.gz RURNQWFBRFFQDF-DGCLKSJQSA-N 0 3 281.787 2.509 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(CC)c(F)c1 ZINC000876882620 643049721 /nfs/dbraw/zinc/04/97/21/643049721.db2.gz MSGQLFVDUXHOTF-GFCCVEGCSA-N 0 3 270.735 2.797 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(SC)cc1 ZINC000876887490 643051811 /nfs/dbraw/zinc/05/18/11/643051811.db2.gz YWXSYRZJOZIARM-ZDUSSCGKSA-N 0 3 298.839 2.537 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccsc2)CC1 ZINC000876886871 643051977 /nfs/dbraw/zinc/05/19/77/643051977.db2.gz CHWJPCXFKPWZHJ-CYBMUJFWSA-N 0 3 298.839 2.924 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1c2ccccc2CC[C@H]1C ZINC000876887778 643053602 /nfs/dbraw/zinc/05/36/02/643053602.db2.gz GKVPMCWQBYSXEM-WKPIXPDZSA-N 0 3 292.810 2.896 20 30 CFEDHN N#Cc1cccc(CNCCCOc2ccccc2F)n1 ZINC000876901258 643057538 /nfs/dbraw/zinc/05/75/38/643057538.db2.gz AWJUTQDQUNKQJE-UHFFFAOYSA-N 0 3 285.322 2.651 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cccc(F)c2)CCC1 ZINC000876937045 643072127 /nfs/dbraw/zinc/07/21/27/643072127.db2.gz PWBIZDIYQUFAIJ-CYBMUJFWSA-N 0 3 296.773 2.791 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000876940427 643074206 /nfs/dbraw/zinc/07/42/06/643074206.db2.gz UUUNLEJWHVLARB-CHWSQXEVSA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CC)Cc1ccc(F)cc1 ZINC000876960390 643081925 /nfs/dbraw/zinc/08/19/25/643081925.db2.gz XXIKUGKGXKUVDL-KBPBESRZSA-N 0 3 298.789 2.733 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCc2c(C)cccc21 ZINC000876977461 643090775 /nfs/dbraw/zinc/09/07/75/643090775.db2.gz YOGNYGSJTGFRFJ-GJZGRUSLSA-N 0 3 292.810 2.959 20 30 CFEDHN C[C@@H](CCC#N)CNCc1ccn(-c2ccccc2)n1 ZINC000876984578 643092453 /nfs/dbraw/zinc/09/24/53/643092453.db2.gz JVEXPAMLKMNTMK-AWEZNQCLSA-N 0 3 268.364 2.902 20 30 CFEDHN C=C(Br)CNCc1ccc(C)cc1O ZINC000877020557 643107422 /nfs/dbraw/zinc/10/74/22/643107422.db2.gz XPOHPLPTDZNHAW-UHFFFAOYSA-N 0 3 256.143 2.699 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCOC3(CCC3)C2)c1 ZINC000877090323 643146664 /nfs/dbraw/zinc/14/66/64/643146664.db2.gz UILKVTVHJQPKOC-CYBMUJFWSA-N 0 3 291.782 2.798 20 30 CFEDHN C[C@@H]1CC(NCc2cc(C#N)cnc2Cl)C[C@@H](C)O1 ZINC000877126227 643165085 /nfs/dbraw/zinc/16/50/85/643165085.db2.gz GTIVGCKEMOKEPG-NXEZZACHSA-N 0 3 279.771 2.652 20 30 CFEDHN CC[C@@H](CSC)NCc1cc(C#N)cnc1Cl ZINC000877131309 643169026 /nfs/dbraw/zinc/16/90/26/643169026.db2.gz YTNBFAQEAVFATE-NSHDSACASA-N 0 3 269.801 2.838 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)c1nccs1 ZINC000877339162 643241581 /nfs/dbraw/zinc/24/15/81/643241581.db2.gz TWEFJMWGVAQMNK-VIFPVBQESA-N 0 3 292.795 2.956 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1ccc(F)c(C)c1 ZINC000877453562 643277032 /nfs/dbraw/zinc/27/70/32/643277032.db2.gz BOVFLCALYDVZDI-OAHLLOKOSA-N 0 3 291.370 2.898 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877496890 643309005 /nfs/dbraw/zinc/30/90/05/643309005.db2.gz YCOWARQEAWRDFL-JSGCOSHPSA-N 0 3 291.782 2.677 20 30 CFEDHN COC1(CNCc2cc(C#N)cnc2Cl)CCCC1 ZINC000877555459 643357531 /nfs/dbraw/zinc/35/75/31/643357531.db2.gz YTSMQOBEVFZHJS-UHFFFAOYSA-N 0 3 279.771 2.655 20 30 CFEDHN C#CCCCCCCN1CC(CO)(c2ccccc2)C1 ZINC000877590102 643384304 /nfs/dbraw/zinc/38/43/04/643384304.db2.gz QHVPCEIPNMWXFJ-UHFFFAOYSA-N 0 3 271.404 2.816 20 30 CFEDHN C#C[C@@H](NCc1cc(F)cc(OCC)c1)C1CCOCC1 ZINC000877636854 643421113 /nfs/dbraw/zinc/42/11/13/643421113.db2.gz CFCQRFMTKXOEDO-QGZVFWFLSA-N 0 3 291.366 2.742 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCCCc2ccco2)c1 ZINC000877637573 643421243 /nfs/dbraw/zinc/42/12/43/643421243.db2.gz WRKFQKZRLVZYAV-UHFFFAOYSA-N 0 3 275.739 2.922 20 30 CFEDHN CC1(C)CC[C@@H](O)[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877684247 643453300 /nfs/dbraw/zinc/45/33/00/643453300.db2.gz RIDSGRKGJDOCGH-CHWSQXEVSA-N 0 3 293.798 2.636 20 30 CFEDHN C#CCOc1ccc(CN2CC(COC)(C3CC3)C2)cc1 ZINC000877686056 643454435 /nfs/dbraw/zinc/45/44/35/643454435.db2.gz JZHUSSRVNXPKGM-UHFFFAOYSA-N 0 3 285.387 2.557 20 30 CFEDHN C[C@H](CCC#N)CN1CCO[C@H](C(F)(F)F)CC1 ZINC000877819717 643584696 /nfs/dbraw/zinc/58/46/96/643584696.db2.gz IYBVFLUUAJKDBJ-MNOVXSKESA-N 0 3 264.291 2.579 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CC1(O)CCCC1 ZINC000877916923 643639756 /nfs/dbraw/zinc/63/97/56/643639756.db2.gz MJOJKTWBCVXXKF-KRWDZBQOSA-N 0 3 289.419 2.731 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CC2(CCC2)CO1 ZINC000877917175 643639836 /nfs/dbraw/zinc/63/98/36/643639836.db2.gz PZURYQJZQKSZAI-MRXNPFEDSA-N 0 3 270.376 2.949 20 30 CFEDHN C=CC[C@@H](C)N1CCN(c2nc(C)cs2)CC1 ZINC000877965556 643668535 /nfs/dbraw/zinc/66/85/35/643668535.db2.gz XCAVCUJZKFBSEJ-GFCCVEGCSA-N 0 3 251.399 2.538 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1C[C@@H](OC)C1 ZINC000878000920 643687261 /nfs/dbraw/zinc/68/72/61/643687261.db2.gz JIZIDTPSLGEKJU-FZNQNYSPSA-N 0 3 261.340 2.686 20 30 CFEDHN C=CC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000878028219 643701496 /nfs/dbraw/zinc/70/14/96/643701496.db2.gz BYNGOLDXNLDZJF-CQSZACIVSA-N 0 3 255.365 2.645 20 30 CFEDHN C=CC[C@@H](C)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000878100546 643734968 /nfs/dbraw/zinc/73/49/68/643734968.db2.gz WDJLOBKVQXFMPU-IUODEOHRSA-N 0 3 276.355 2.827 20 30 CFEDHN C=CCOc1cccc(CN2CCC(OC(C)=O)CC2)c1 ZINC000127028648 643823757 /nfs/dbraw/zinc/82/37/57/643823757.db2.gz ZZMFLRXXNNCAGW-UHFFFAOYSA-N 0 3 289.375 2.779 20 30 CFEDHN C=CC[C@@H](C)N1CCN(c2nc(C)c(C)s2)CC1 ZINC000878297667 643827723 /nfs/dbraw/zinc/82/77/23/643827723.db2.gz MWRMPYIYXRIGMS-LLVKDONJSA-N 0 3 265.426 2.847 20 30 CFEDHN C#CCCCCCN1CCN(CC(F)F)[C@@H](CC)C1 ZINC000878330187 643844456 /nfs/dbraw/zinc/84/44/56/643844456.db2.gz CVSFVLRHQCWURL-AWEZNQCLSA-N 0 3 272.383 2.841 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127046491 643850503 /nfs/dbraw/zinc/85/05/03/643850503.db2.gz QNJBFBQSQDLVPJ-SFHVURJKSA-N 0 3 291.354 2.595 20 30 CFEDHN C#C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H]1CCCO1 ZINC000878454420 643901525 /nfs/dbraw/zinc/90/15/25/643901525.db2.gz XGDHLOGXUIWNSX-FJIDUMEYSA-N 0 3 285.387 2.677 20 30 CFEDHN C#CCCCCCN1CCN(c2ccnc(F)c2)CC1 ZINC000878679089 643988315 /nfs/dbraw/zinc/98/83/15/643988315.db2.gz RSKOJAXBIBISAV-UHFFFAOYSA-N 0 3 275.371 2.536 20 30 CFEDHN C=CCN(C[C@H]1CCC2(CCC2)O1)[C@@H](C)COC ZINC000878890106 644063753 /nfs/dbraw/zinc/06/37/53/644063753.db2.gz TYRVCPCCMHFLOM-UONOGXRCSA-N 0 3 253.386 2.611 20 30 CFEDHN C=CC[C@H](C)N1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000879010386 644111408 /nfs/dbraw/zinc/11/14/08/644111408.db2.gz BEZSXSNQVKZTDO-LBPRGKRZSA-N 0 3 284.363 2.670 20 30 CFEDHN CCCCCCCN1CCN(CCc2cnccn2)CC1 ZINC000879420351 644265835 /nfs/dbraw/zinc/26/58/35/644265835.db2.gz LJBFLJKGIVRWKW-UHFFFAOYSA-N 0 3 290.455 2.607 20 30 CFEDHN CCOC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000091677458 650905689 /nfs/dbraw/zinc/90/56/89/650905689.db2.gz MRBCRCRBFNAZNS-CQSZACIVSA-N 0 3 288.391 2.978 20 30 CFEDHN CC[C@@H](NCCOCCC#N)c1cccc(OC)c1OC ZINC000879466024 644281107 /nfs/dbraw/zinc/28/11/07/644281107.db2.gz LOYAGLPRJFIBRN-CQSZACIVSA-N 0 3 292.379 2.675 20 30 CFEDHN C=CCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499281 644292575 /nfs/dbraw/zinc/29/25/75/644292575.db2.gz ONJDILRAMAINDW-OAHLLOKOSA-N 0 3 257.381 2.832 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879562686 644322761 /nfs/dbraw/zinc/32/27/61/644322761.db2.gz KBVKGFCGYOWNGP-ZFWWWQNUSA-N 0 3 288.416 2.752 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H](O)CC(C)(C)C1 ZINC000879623140 644352101 /nfs/dbraw/zinc/35/21/01/644352101.db2.gz SGKFSYVNIRFZGY-IUODEOHRSA-N 0 3 258.365 2.712 20 30 CFEDHN C[C@H](c1ccccc1)N1CCN(CCCC#N)CC1 ZINC000880249034 644610885 /nfs/dbraw/zinc/61/08/85/644610885.db2.gz RCMBRXXVHIBXPZ-OAHLLOKOSA-N 0 3 257.381 2.669 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@]1(C)c1ccccc1 ZINC000880372642 644674757 /nfs/dbraw/zinc/67/47/57/644674757.db2.gz ZFBMODAWURGGSG-GOSISDBHSA-N 0 3 299.418 2.760 20 30 CFEDHN C=CCCC[C@H](NCC(=O)N1CCC1)c1ccccc1 ZINC000880388145 644685745 /nfs/dbraw/zinc/68/57/45/644685745.db2.gz IOUZVGZNINMPHX-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN C#CCC1(O)CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000880480247 644731280 /nfs/dbraw/zinc/73/12/80/644731280.db2.gz MBEHDKHFDWUVFT-INIZCTEOSA-N 0 3 273.351 2.663 20 30 CFEDHN CN1CCC[C@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000881124933 644913065 /nfs/dbraw/zinc/91/30/65/644913065.db2.gz ZORFIFWNWTVOBS-HNNXBMFYSA-N 0 3 298.390 2.651 20 30 CFEDHN Cc1ccc(N(C)CCCN(C)Cc2ccco2)c(C#N)n1 ZINC000882358993 645290594 /nfs/dbraw/zinc/29/05/94/645290594.db2.gz ATRPBUADSIUWLQ-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN C#CC[C@H](CO)NCc1cnc(-c2ccc(C)cc2)s1 ZINC000883123519 645613550 /nfs/dbraw/zinc/61/35/50/645613550.db2.gz AKSOKAQHISKQAL-CQSZACIVSA-N 0 3 286.400 2.592 20 30 CFEDHN C=CCC[C@@H](COc1ccccc1)N[C@@H](C)C(=O)NCC ZINC000883167444 645636429 /nfs/dbraw/zinc/63/64/29/645636429.db2.gz YPZFVGOEWCUJAK-GJZGRUSLSA-N 0 3 290.407 2.514 20 30 CFEDHN C=CCC[C@H](COc1ccccc1)N[C@H](C)C(=O)NCC ZINC000883167445 645636658 /nfs/dbraw/zinc/63/66/58/645636658.db2.gz YPZFVGOEWCUJAK-HUUCEWRRSA-N 0 3 290.407 2.514 20 30 CFEDHN C=CCC[C@H](Cc1ccccc1)NCc1nncn1CC ZINC000883173388 645639377 /nfs/dbraw/zinc/63/93/77/645639377.db2.gz JWOXTPJADZAPLU-MRXNPFEDSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCC[C@@H](NCc1cn2ccsc2n1)[C@@H]1CCCO1 ZINC000883177539 645642890 /nfs/dbraw/zinc/64/28/90/645642890.db2.gz CDEKFPBYUUYAMW-KGLIPLIRSA-N 0 3 291.420 2.999 20 30 CFEDHN C=CCC[C@@H](NCc1ccc(F)cn1)[C@H]1CCCO1 ZINC000883198226 645657479 /nfs/dbraw/zinc/65/74/79/645657479.db2.gz CQCYGSDTWBEHID-HUUCEWRRSA-N 0 3 264.344 2.824 20 30 CFEDHN C#CC1(NCC2=Cc3ccccc3OC2)CCCC1 ZINC000883362935 645769883 /nfs/dbraw/zinc/76/98/83/645769883.db2.gz QYXTYEOAPPTHMT-UHFFFAOYSA-N 0 3 253.345 2.998 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000883389039 645786844 /nfs/dbraw/zinc/78/68/44/645786844.db2.gz IZVWANQNOZSMFC-QWHCGFSZSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000883391878 645791010 /nfs/dbraw/zinc/79/10/10/645791010.db2.gz UULCEAYNLDCQLD-GJZGRUSLSA-N 0 3 283.799 2.944 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000883392054 645791288 /nfs/dbraw/zinc/79/12/88/645791288.db2.gz ZFJHHXZXGWPOFV-AAEUAGOBSA-N 0 3 262.328 2.675 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000883392056 645791408 /nfs/dbraw/zinc/79/14/08/645791408.db2.gz ZFJHHXZXGWPOFV-WCQYABFASA-N 0 3 262.328 2.675 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cccc(OC2CC2)c1F ZINC000883399675 645795549 /nfs/dbraw/zinc/79/55/49/645795549.db2.gz SUUFRLRLZJFEKR-ZDUSSCGKSA-N 0 3 279.355 2.784 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(Cl)ccc1OC ZINC000883401093 645797598 /nfs/dbraw/zinc/79/75/98/645797598.db2.gz BWMKELDRYVILLG-CYBMUJFWSA-N 0 3 269.772 2.765 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000883400718 645797604 /nfs/dbraw/zinc/79/76/04/645797604.db2.gz TVFNVPGTSYKQRY-AWEZNQCLSA-N 0 3 281.783 2.692 20 30 CFEDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000883585292 645898920 /nfs/dbraw/zinc/89/89/20/645898920.db2.gz LDYNHOVYXOHHIR-NWDGAFQWSA-N 0 3 298.390 2.650 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007092344 651131782 /nfs/dbraw/zinc/13/17/82/651131782.db2.gz OIHXPYGACAWQKM-AWEZNQCLSA-N 0 3 280.387 2.941 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(F)cc(F)c2)CC1 ZINC001006378743 646013883 /nfs/dbraw/zinc/01/38/83/646013883.db2.gz ATBKIOJPMUULBO-UHFFFAOYSA-N 0 3 294.345 2.687 20 30 CFEDHN C=C(C)CCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481173 646695331 /nfs/dbraw/zinc/69/53/31/646695331.db2.gz KWGFOCLMNNPRDJ-LBPRGKRZSA-N 0 3 267.369 2.533 20 30 CFEDHN N#CC(C(=O)CCc1ccccn1)c1nc2ccccc2[nH]1 ZINC000136105827 646739794 /nfs/dbraw/zinc/73/97/94/646739794.db2.gz BXOPGBOSNNBLRH-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN Cc1ccc(CN(C[C@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885959153 646784185 /nfs/dbraw/zinc/78/41/85/646784185.db2.gz UHKDUOQZEQUWPY-OAHLLOKOSA-N 0 3 288.391 2.997 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccncc2)CCC1 ZINC000886090477 646862492 /nfs/dbraw/zinc/86/24/92/646862492.db2.gz ZCFSHKQZSXCGIO-CVEARBPZSA-N 0 3 285.391 2.663 20 30 CFEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886125012 646883570 /nfs/dbraw/zinc/88/35/70/646883570.db2.gz HBUILKBHWLSWOA-QWHCGFSZSA-N 0 3 293.436 2.937 20 30 CFEDHN C#CCN1CCC[C@@H](NCc2ccnc(Cl)c2Cl)C1 ZINC000886211885 646923890 /nfs/dbraw/zinc/92/38/90/646923890.db2.gz ZWTZCEPROKIEMP-GFCCVEGCSA-N 0 3 298.217 2.576 20 30 CFEDHN Cc1cn[nH]c1CN1CCC(Nc2ccccc2C#N)CC1 ZINC000886284067 646952125 /nfs/dbraw/zinc/95/21/25/646952125.db2.gz NAJPTNOVVKGWIX-UHFFFAOYSA-N 0 3 295.390 2.666 20 30 CFEDHN C[C@@H]1CC(F)(F)CCN1C[C@H](O)CC1(C#N)CCC1 ZINC000886300754 646959169 /nfs/dbraw/zinc/95/91/69/646959169.db2.gz OVJBKIUNQXWRQN-VXGBXAGGSA-N 0 3 272.339 2.551 20 30 CFEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000886355563 646984004 /nfs/dbraw/zinc/98/40/04/646984004.db2.gz KGWUSXOKJHSKDV-HOTGVXAUSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000886363830 646987935 /nfs/dbraw/zinc/98/79/35/646987935.db2.gz DVTVNRRSAYBZIR-XHDPSFHLSA-N 0 3 281.758 2.858 20 30 CFEDHN C#CCN(C(=O)c1cc(Cl)cs1)C1CCN(C)CC1 ZINC000886577545 647053284 /nfs/dbraw/zinc/05/32/84/647053284.db2.gz MVHSKZGOFZKJCU-UHFFFAOYSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C(=O)[C@H]1CC[C@H](CC)CC1)C1CCN(C)CC1 ZINC000886577700 647053370 /nfs/dbraw/zinc/05/33/70/647053370.db2.gz UCZAKWYDJIHUPX-WKILWMFISA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000886582439 647054253 /nfs/dbraw/zinc/05/42/53/647054253.db2.gz UWYFVVMKNZQFNF-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)c1cc2ccccc2o1)C1CCN(C)CC1 ZINC000886589328 647056991 /nfs/dbraw/zinc/05/69/91/647056991.db2.gz QVIWLYBLPPODBH-UHFFFAOYSA-N 0 3 296.370 2.602 20 30 CFEDHN Cc1csc(C[C@@H]2CCCN(CCO[C@H](C)C#N)C2)n1 ZINC000886691758 647113320 /nfs/dbraw/zinc/11/33/20/647113320.db2.gz LSIJRDBHYXQUTR-KGLIPLIRSA-N 0 3 293.436 2.635 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC000886778458 647134001 /nfs/dbraw/zinc/13/40/01/647134001.db2.gz BFYKCNXEOBGJEL-UHFFFAOYSA-N 0 3 275.392 2.907 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886821712 647152809 /nfs/dbraw/zinc/15/28/09/647152809.db2.gz GHYUVJMTEZESEC-NVXWUHKLSA-N 0 3 273.351 2.678 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886837912 647158413 /nfs/dbraw/zinc/15/84/13/647158413.db2.gz OVJRQPFUQDFGLR-GOEBONIOSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c(F)c1 ZINC000886837914 647158743 /nfs/dbraw/zinc/15/87/43/647158743.db2.gz OVJRQPFUQDFGLR-ZBFHGGJFSA-N 0 3 274.339 2.698 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCN2CC)c([O-])c1 ZINC000887270528 647256884 /nfs/dbraw/zinc/25/68/84/647256884.db2.gz PCIZSIMOUKKLQB-YAJBTMAUSA-N 0 3 289.423 2.752 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)C1(Br)CC1 ZINC000924638276 648015156 /nfs/dbraw/zinc/01/51/56/648015156.db2.gz ARAZRUIGYYFMJQ-SNVBAGLBSA-N 0 3 279.181 2.964 20 30 CFEDHN COc1cccc([C@H](CO)N[C@@H](C)CC(C)(C)C#N)c1 ZINC000925143836 648115892 /nfs/dbraw/zinc/11/58/92/648115892.db2.gz PSHKLUVLHGHUJK-WFASDCNBSA-N 0 3 276.380 2.647 20 30 CFEDHN Cc1ccccc1[C@H](CO)N[C@H](C)CC(C)(C)C#N ZINC000925210552 648132351 /nfs/dbraw/zinc/13/23/51/648132351.db2.gz USRCJPKRGPJTCA-HIFRSBDPSA-N 0 3 260.381 2.946 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cnnn1-c1ccccc1 ZINC000925531945 648203464 /nfs/dbraw/zinc/20/34/64/648203464.db2.gz OKVKWPUVJISULQ-AWEZNQCLSA-N 0 3 286.379 2.511 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCc2ccccc2NC1=O ZINC000926664621 648566846 /nfs/dbraw/zinc/56/68/46/648566846.db2.gz WLMQHKAPAHBUIG-DOMZBBRYSA-N 0 3 285.391 2.858 20 30 CFEDHN C[C@@H](NCCOC1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000927078109 648700475 /nfs/dbraw/zinc/70/04/75/648700475.db2.gz FAPWTXSULOEYRQ-GFCCVEGCSA-N 0 3 292.354 2.544 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC000928439034 648911078 /nfs/dbraw/zinc/91/10/78/648911078.db2.gz GYOASBCEXJKTEG-KBMXLJTQSA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1 ZINC000928445130 648912431 /nfs/dbraw/zinc/91/24/31/648912431.db2.gz XDCVBQAGUFDUKI-HYVNUMGLSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCN(CCc1nnc(C)o1)Cc1ccccc1 ZINC000929162175 648992315 /nfs/dbraw/zinc/99/23/15/648992315.db2.gz ITOXEBLTEWIITA-UHFFFAOYSA-N 0 3 257.337 2.609 20 30 CFEDHN CC(C)[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000929205203 649001854 /nfs/dbraw/zinc/00/18/54/649001854.db2.gz QNHNIFYKYSQTRA-ZIAGYGMSSA-N 0 3 266.772 2.901 20 30 CFEDHN CCC1(CC)[C@H](N(C)Cc2cncc(C#N)c2)C[C@@H]1OC ZINC000930035397 649171487 /nfs/dbraw/zinc/17/14/87/649171487.db2.gz LZSOWSLOTTVBNY-CVEARBPZSA-N 0 3 287.407 2.979 20 30 CFEDHN N#CC1CCC(CN2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000930168818 649196630 /nfs/dbraw/zinc/19/66/30/649196630.db2.gz RVDLNWSVDLBWFM-RUXDESIVSA-N 0 3 258.369 2.877 20 30 CFEDHN N#Cc1cncc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000930299804 649224938 /nfs/dbraw/zinc/22/49/38/649224938.db2.gz JAUVOPJKEKHTPN-RCCFBDPRSA-N 0 3 299.418 2.859 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CNC(C)(C)C(=O)N1CCCC1 ZINC000930300908 649226123 /nfs/dbraw/zinc/22/61/23/649226123.db2.gz OSRJVYGYKYBESX-UHFFFAOYSA-N 0 3 299.418 2.666 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCCC2(C#N)CCC2)C1=O ZINC000930310820 649227415 /nfs/dbraw/zinc/22/74/15/649227415.db2.gz PUBCENAUOPOANR-HNNXBMFYSA-N 0 3 289.423 2.569 20 30 CFEDHN C[C@]12CCN(Cc3cncc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000930366936 649238056 /nfs/dbraw/zinc/23/80/56/649238056.db2.gz JIQUECRFCBEUKB-OLZOCXBDSA-N 0 3 296.201 2.969 20 30 CFEDHN CC(C)[C@H](NCCCCC1(C#N)CCC1)c1nncn1C ZINC000930445313 649248606 /nfs/dbraw/zinc/24/86/06/649248606.db2.gz CQIMPASDHQDSDQ-AWEZNQCLSA-N 0 3 289.427 2.966 20 30 CFEDHN CN(C)C(=O)O[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000930603397 649284772 /nfs/dbraw/zinc/28/47/72/649284772.db2.gz MCJWFUBSDLRWGR-CQSZACIVSA-N 0 3 293.411 2.623 20 30 CFEDHN C#CCCCCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000930806555 649328537 /nfs/dbraw/zinc/32/85/37/649328537.db2.gz UAGGWTMAJPQQQN-AWEZNQCLSA-N 0 3 270.367 2.595 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1noc2c1COCC2 ZINC000930918451 649349095 /nfs/dbraw/zinc/34/90/95/649349095.db2.gz AHKUKFWSAZQVJT-JSGCOSHPSA-N 0 3 276.380 2.972 20 30 CFEDHN CC(C)(C)N(Cc1ccsc1)C[C@H](O)CC#N ZINC000930923882 649350874 /nfs/dbraw/zinc/35/08/74/649350874.db2.gz RAQJYQNIJTXOKI-GFCCVEGCSA-N 0 3 252.383 2.623 20 30 CFEDHN C=CCN(CCSc1ccncc1)[C@H](C)COC ZINC000930931835 649352085 /nfs/dbraw/zinc/35/20/85/649352085.db2.gz CJGKDOKNJVPVNQ-CYBMUJFWSA-N 0 3 266.410 2.697 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc2occ(C)c2c1 ZINC000930937882 649353592 /nfs/dbraw/zinc/35/35/92/649353592.db2.gz CTHSJGBFZVVQAK-UHFFFAOYSA-N 0 3 299.374 2.818 20 30 CFEDHN C=CCN(CC[S@@](=O)C(F)(F)F)C(C)(C)C ZINC000931017017 649365549 /nfs/dbraw/zinc/36/55/49/649365549.db2.gz LJDHYTLXRVPBQH-MRXNPFEDSA-N 0 3 257.321 2.541 20 30 CFEDHN C#CC1(O)CCN([C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000931144788 649386198 /nfs/dbraw/zinc/38/61/98/649386198.db2.gz FETGFRHUGIPYEV-GFCCVEGCSA-N 0 3 295.329 2.809 20 30 CFEDHN CC(=O)NC[C@H]1CCCCN1Cc1c(C)cc(C#N)cc1C ZINC000931338857 649411904 /nfs/dbraw/zinc/41/19/04/649411904.db2.gz UOMVEAYISXXKAN-QGZVFWFLSA-N 0 3 299.418 2.666 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000931881185 649504781 /nfs/dbraw/zinc/50/47/81/649504781.db2.gz ROSQNXSIOCTWFD-INIZCTEOSA-N 0 3 270.376 2.504 20 30 CFEDHN Cc1nc([C@@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936699 649515943 /nfs/dbraw/zinc/51/59/43/649515943.db2.gz FKCCMIUVPUBWAU-IAQYHMDHSA-N 0 3 282.347 2.800 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc2occc2c1 ZINC000932031135 649526401 /nfs/dbraw/zinc/52/64/01/649526401.db2.gz CUNVFURMNHXXDB-UHFFFAOYSA-N 0 3 285.347 2.509 20 30 CFEDHN Cn1ccc(C2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000932141248 649549592 /nfs/dbraw/zinc/54/95/92/649549592.db2.gz ISJAGEVLCSVKPM-UHFFFAOYSA-N 0 3 280.375 2.671 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932214303 649565458 /nfs/dbraw/zinc/56/54/58/649565458.db2.gz BIBXOSJIJZIQKD-LSDHHAIUSA-N 0 3 273.376 2.960 20 30 CFEDHN CCOC(=O)[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000932637763 649632225 /nfs/dbraw/zinc/63/22/25/649632225.db2.gz CUMBRWRDYIQGBM-WFASDCNBSA-N 0 3 272.348 2.504 20 30 CFEDHN C=CCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932650864 649633928 /nfs/dbraw/zinc/63/39/28/649633928.db2.gz UIBMBDGGJZNYHY-UHFFFAOYSA-N 0 3 279.302 2.770 20 30 CFEDHN C=C(CC)CN1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932668329 649635056 /nfs/dbraw/zinc/63/50/56/649635056.db2.gz UFSRFILHLMWMML-NSHDSACASA-N 0 3 280.393 2.685 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc(OCC)cc2)CCC1 ZINC000933299848 649686342 /nfs/dbraw/zinc/68/63/42/649686342.db2.gz LUJFOBATIVRODN-UHFFFAOYSA-N 0 3 286.375 2.559 20 30 CFEDHN Cc1noc(C[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000933572298 649702536 /nfs/dbraw/zinc/70/25/36/649702536.db2.gz HGBYZTSBMVYGMU-INIZCTEOSA-N 0 3 296.374 2.704 20 30 CFEDHN C#CCCCCCCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933689686 649714734 /nfs/dbraw/zinc/71/47/34/649714734.db2.gz RMKDEAXWTIKRHR-DLBZAZTESA-N 0 3 279.424 2.840 20 30 CFEDHN C[C@]12CN(C[C@@H](C#N)CCC#N)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933706891 649716287 /nfs/dbraw/zinc/71/62/87/649716287.db2.gz NDIUFPLFFMXBRV-DGADGQDISA-N 0 3 255.365 2.574 20 30 CFEDHN CC(C)CC[C@H](O)CN(C)Cc1cc(C#N)cs1 ZINC000933771795 649720629 /nfs/dbraw/zinc/72/06/29/649720629.db2.gz JAQHAJNBKUJUGK-ZDUSSCGKSA-N 0 3 266.410 2.849 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCSC[C@@H]1C ZINC000934305193 649771130 /nfs/dbraw/zinc/77/11/30/649771130.db2.gz WHLJNJKFSBZIND-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@H]1CN(CCCSCC#N)CCN1c1ccccc1 ZINC000934323598 649774005 /nfs/dbraw/zinc/77/40/05/649774005.db2.gz VFVOENXXQUGLNR-HNNXBMFYSA-N 0 3 289.448 2.844 20 30 CFEDHN C=CC[C@H]1CCN1[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000934473059 649791614 /nfs/dbraw/zinc/79/16/14/649791614.db2.gz WJOVYUISYUORDC-HOCLYGCPSA-N 0 3 272.392 2.684 20 30 CFEDHN N#C[C@H]1CC[C@H](N2Cc3ncccc3N3CCC[C@H]3C2)C1 ZINC000934492971 649794481 /nfs/dbraw/zinc/79/44/81/649794481.db2.gz GGFNAFAFDJHFGD-KKUMJFAQSA-N 0 3 282.391 2.558 20 30 CFEDHN C=CCN1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000934738028 649823133 /nfs/dbraw/zinc/82/31/33/649823133.db2.gz PUPPXNRKVUHTDL-OAHLLOKOSA-N 0 3 266.385 2.648 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001017449544 651067885 /nfs/dbraw/zinc/06/78/85/651067885.db2.gz NYFZYFRMOZIUQI-CWRNSKLLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001007715465 651138486 /nfs/dbraw/zinc/13/84/86/651138486.db2.gz BJSYONUWNDRTGL-AWEZNQCLSA-N 0 3 282.403 2.816 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008281582 651146406 /nfs/dbraw/zinc/14/64/06/651146406.db2.gz OYWTZBLTRGSSCW-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C1CCC(C(=O)N[C@@H]2CCCN(CCCF)C2)CC1 ZINC001008402346 651147542 /nfs/dbraw/zinc/14/75/42/651147542.db2.gz AMVSDJBTPRWWMN-OAHLLOKOSA-N 0 3 282.403 2.673 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001008753164 651153031 /nfs/dbraw/zinc/15/30/31/651153031.db2.gz IDXCRDMBQNZKHK-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001009181030 651157029 /nfs/dbraw/zinc/15/70/29/651157029.db2.gz JRPKRICKNCKRBK-CQSZACIVSA-N 0 3 290.407 2.921 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001009260762 651157556 /nfs/dbraw/zinc/15/75/56/651157556.db2.gz OFMRVFYFPPBZEQ-FUHWJXTLSA-N 0 3 298.430 2.702 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001009224974 651157972 /nfs/dbraw/zinc/15/79/72/651157972.db2.gz LZDYSQRUSHFZKC-CQSZACIVSA-N 0 3 290.407 2.921 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001009651350 651162769 /nfs/dbraw/zinc/16/27/69/651162769.db2.gz ZRNQJZZEKXASMC-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001009723701 651164459 /nfs/dbraw/zinc/16/44/59/651164459.db2.gz BMQLEGQKVMKWII-CQSZACIVSA-N 0 3 296.370 2.650 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001014901925 651193104 /nfs/dbraw/zinc/19/31/04/651193104.db2.gz OFEDZPRHCXFWDT-KRWDZBQOSA-N 0 3 286.419 2.558 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015272058 651198412 /nfs/dbraw/zinc/19/84/12/651198412.db2.gz QUMULSQPHLBRBV-ZWKOTPCHSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015332106 651199265 /nfs/dbraw/zinc/19/92/65/651199265.db2.gz LMFTUQVDASNRLE-JENIJYKNSA-N 0 3 298.430 2.731 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001015602145 651205834 /nfs/dbraw/zinc/20/58/34/651205834.db2.gz YMWGXYPZWJTVPE-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001015755834 651212996 /nfs/dbraw/zinc/21/29/96/651212996.db2.gz SEZOMYZDTGNLHT-QZTJIDSGSA-N 0 3 298.430 2.558 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001015794929 651214153 /nfs/dbraw/zinc/21/41/53/651214153.db2.gz PDPXGBXJSUSMOE-JTQLQIEISA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001015878091 651217285 /nfs/dbraw/zinc/21/72/85/651217285.db2.gz CSKMIABZHKKGQU-SJORKVTESA-N 0 3 298.430 2.873 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015993935 651219913 /nfs/dbraw/zinc/21/99/13/651219913.db2.gz BVWGGMYUIXUGGM-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001016086464 651224299 /nfs/dbraw/zinc/22/42/99/651224299.db2.gz SYPDTPAVWMMUNT-SFHVURJKSA-N 0 3 292.382 2.667 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001016285863 651229156 /nfs/dbraw/zinc/22/91/56/651229156.db2.gz DBOYBQLWDBHWBE-OAHLLOKOSA-N 0 3 290.382 2.823 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001016316946 651229962 /nfs/dbraw/zinc/22/99/62/651229962.db2.gz SPQKSTNAZGNUSA-JKSUJKDBSA-N 0 3 286.419 2.865 20 30 CFEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)C2(C)CCCC2)CC1 ZINC001016758669 651239902 /nfs/dbraw/zinc/23/99/02/651239902.db2.gz WZOLAMYAAKMCRP-HNNXBMFYSA-N 0 3 288.435 2.561 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001017644307 651255119 /nfs/dbraw/zinc/25/51/19/651255119.db2.gz XUJOTARHXRECBS-IYBDPMFKSA-N 0 3 288.435 2.818 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CCC2)C1 ZINC001017823582 651258848 /nfs/dbraw/zinc/25/88/48/651258848.db2.gz ZZDDCHSPTRDFIK-IYBDPMFKSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](F)C1 ZINC001017856568 651259459 /nfs/dbraw/zinc/25/94/59/651259459.db2.gz TWXIMUJEWPSBDQ-YHUYYLMFSA-N 0 3 294.414 2.766 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C[C@H]1C ZINC001017892569 651261021 /nfs/dbraw/zinc/26/10/21/651261021.db2.gz JTZLMBGVUYFPLG-FPCVCCKLSA-N 0 3 276.424 2.674 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC001019375391 651284179 /nfs/dbraw/zinc/28/41/79/651284179.db2.gz FWFJBNGCQQKJME-QAPCUYQASA-N 0 3 298.430 2.566 20 30 CFEDHN C[C@@H]1CN(c2ccc(C3(C#N)CCC3)cn2)[C@H](C)CN1C ZINC001164640727 719197098 /nfs/dbraw/zinc/19/70/98/719197098.db2.gz VQCVOLIZKSZLPO-ZIAGYGMSSA-N 0 3 284.407 2.556 20 30 CFEDHN C[C@@H]1CN(c2ccc(C3(C#N)CCC3)cn2)[C@@H](C)CN1C ZINC001164640725 719197954 /nfs/dbraw/zinc/19/79/54/719197954.db2.gz VQCVOLIZKSZLPO-KGLIPLIRSA-N 0 3 284.407 2.556 20 30 CFEDHN C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H](C)CN1C ZINC000443504009 719234316 /nfs/dbraw/zinc/23/43/16/719234316.db2.gz WKCOHWYJZBOGCO-OLZOCXBDSA-N 0 3 280.375 2.635 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001085955731 782216279 /nfs/dbraw/zinc/21/62/79/782216279.db2.gz IRZHWZYIILEHIN-QGZVFWFLSA-N 0 3 286.419 2.971 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccn1CC ZINC001085974501 782222467 /nfs/dbraw/zinc/22/24/67/782222467.db2.gz VWFPXCZVHLXDRS-OAHLLOKOSA-N 0 3 289.423 2.621 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085974364 782223227 /nfs/dbraw/zinc/22/32/27/782223227.db2.gz SLYOAGFMFLVDFH-HNNXBMFYSA-N 0 3 289.423 2.791 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001085989137 782227850 /nfs/dbraw/zinc/22/78/50/782227850.db2.gz IQZXLHXMHKLOAK-GQGLESIBSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001086014892 782240492 /nfs/dbraw/zinc/24/04/92/782240492.db2.gz LPZGNRWXODCMAA-TXEJJXNPSA-N 0 3 298.839 2.907 20 30 CFEDHN COc1ccc(-c2ccnc(C#N)c2)cc1CN(C)C ZINC001241195408 782265276 /nfs/dbraw/zinc/26/52/76/782265276.db2.gz AXOAFWIQFOUKHV-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN C=CCN(CC)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001266410689 770104663 /nfs/dbraw/zinc/10/46/63/770104663.db2.gz GKKXWYDOMUXEJO-UHFFFAOYSA-N 0 3 278.440 2.827 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167283820 770211192 /nfs/dbraw/zinc/21/11/92/770211192.db2.gz NBXCDEIPOODNGX-KBPBESRZSA-N 0 3 280.412 2.635 20 30 CFEDHN C=C(C)CN(CCNC(=O)C(CC)CC)C1CC1 ZINC001267321509 775200575 /nfs/dbraw/zinc/20/05/75/775200575.db2.gz HDPKPNJZDOTTJT-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CC/C=C(\C)C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001277766117 777805244 /nfs/dbraw/zinc/80/52/44/777805244.db2.gz BOLHGAKAGMVVOG-BRVCPTFNSA-N 0 3 298.430 2.831 20 30 CFEDHN O=C1C=C2CN(Cc3ccc(Cl)o3)CCC2S1 ZINC001233315035 777877401 /nfs/dbraw/zinc/87/74/01/777877401.db2.gz VTJSOWXNWBACHL-SNVBAGLBSA-N 0 3 269.753 2.707 20 30 CFEDHN C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001033392978 780670475 /nfs/dbraw/zinc/67/04/75/780670475.db2.gz FPSBVKGYJCRHDW-OAHLLOKOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccccc2C)C1 ZINC001033647598 780742136 /nfs/dbraw/zinc/74/21/36/780742136.db2.gz CRMWCHAUXZBMTC-QGZVFWFLSA-N 0 3 286.419 2.646 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccc(Cl)cc1F ZINC001266295467 769920573 /nfs/dbraw/zinc/92/05/73/769920573.db2.gz LTSSUEDHEHZYDU-UHFFFAOYSA-N 0 3 284.762 2.717 20 30 CFEDHN CC(=O)[C@@H]1CCCN1CCCc1ccc(C#N)cc1 ZINC001208864674 769949019 /nfs/dbraw/zinc/94/90/19/769949019.db2.gz YXCPFSUMJYLZOX-INIZCTEOSA-N 0 3 256.349 2.544 20 30 CFEDHN N#Cc1cccc(CN2CCN(C3CCCC3)CC2)c1F ZINC000219515364 769980773 /nfs/dbraw/zinc/98/07/73/769980773.db2.gz LFOXCFINMTUEOA-UHFFFAOYSA-N 0 3 287.382 2.758 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001266347331 769996703 /nfs/dbraw/zinc/99/67/03/769996703.db2.gz MKGVAXODSHSAMN-INIZCTEOSA-N 0 3 288.435 2.727 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001266377083 770047669 /nfs/dbraw/zinc/04/76/69/770047669.db2.gz OKNYPXRXSAELPO-DMTLFAOVSA-N 0 3 296.842 2.922 20 30 CFEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](CC)OCC)CC1 ZINC001266384207 770056009 /nfs/dbraw/zinc/05/60/09/770056009.db2.gz AAULIULPJWYGSY-INIZCTEOSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCN(CC)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001266390724 770065761 /nfs/dbraw/zinc/06/57/61/770065761.db2.gz JLOUOXMUDMNVDA-UONOGXRCSA-N 0 3 266.429 2.683 20 30 CFEDHN C=CCCCCCN1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001209430756 770083112 /nfs/dbraw/zinc/08/31/12/770083112.db2.gz BSAFJCLCXLTMFU-RDBSUJKOSA-N 0 3 251.370 2.759 20 30 CFEDHN C=CCCCCCCN1Cc2ccnn2CC[C@@H]1CO ZINC001209440074 770091299 /nfs/dbraw/zinc/09/12/99/770091299.db2.gz ACPXOZIPORANNK-MRXNPFEDSA-N 0 3 277.412 2.586 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1ccc(C)nc1C1CC1 ZINC001266405939 770101478 /nfs/dbraw/zinc/10/14/78/770101478.db2.gz MQVWVGCBXHEMBI-UHFFFAOYSA-N 0 3 287.407 2.505 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001167283821 770211152 /nfs/dbraw/zinc/21/11/52/770211152.db2.gz NBXCDEIPOODNGX-KGLIPLIRSA-N 0 3 280.412 2.635 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001266536895 770294033 /nfs/dbraw/zinc/29/40/33/770294033.db2.gz AEXBLRHUDBMLQB-RDJZCZTQSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001266537565 770294664 /nfs/dbraw/zinc/29/46/64/770294664.db2.gz OSHZNSVOUFBADX-CABCVRRESA-N 0 3 278.440 2.520 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCN(CC(=C)C)C1CC1 ZINC001266594864 770397852 /nfs/dbraw/zinc/39/78/52/770397852.db2.gz SZHTUTAKEBEMSS-UHFFFAOYSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCN(CCNC(=O)c1ccc(C2CC2)cc1)C1CC1 ZINC001266619250 770448122 /nfs/dbraw/zinc/44/81/22/770448122.db2.gz FZYUOLRUKCMTLD-UHFFFAOYSA-N 0 3 284.403 2.944 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1coc2ccc(CC)cc12 ZINC001266702030 770540735 /nfs/dbraw/zinc/54/07/35/770540735.db2.gz MXHCNPFTBCHIRJ-UHFFFAOYSA-N 0 3 298.386 2.680 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)coc1C ZINC001038211030 770559103 /nfs/dbraw/zinc/55/91/03/770559103.db2.gz KHIJWFVTVVZSBN-AWEZNQCLSA-N 0 3 276.380 2.667 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)[C@@H]1CCC1(C)C ZINC001266810192 770636211 /nfs/dbraw/zinc/63/62/11/770636211.db2.gz IBOUDFXLXDAYBT-INIZCTEOSA-N 0 3 299.418 2.542 20 30 CFEDHN CC#CCN[C@@H](C)CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001266939695 770758337 /nfs/dbraw/zinc/75/83/37/770758337.db2.gz MIEKLZJRPCFBBF-UAGQMJEPSA-N 0 3 298.430 2.544 20 30 CFEDHN CC#CCN[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001266979687 770782304 /nfs/dbraw/zinc/78/23/04/770782304.db2.gz KGGMIPMOVVLWNW-OAHLLOKOSA-N 0 3 278.440 2.711 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC001266988924 770790962 /nfs/dbraw/zinc/79/09/62/770790962.db2.gz QIGATPYDULCDBS-UHFFFAOYSA-N 0 3 298.386 2.735 20 30 CFEDHN C#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@@H](F)CC ZINC001279555520 770806102 /nfs/dbraw/zinc/80/61/02/770806102.db2.gz NMFLIEQAGNFNPO-XHSDSOJGSA-N 0 3 294.414 2.603 20 30 CFEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1c1ccccc1 ZINC001211534219 770813287 /nfs/dbraw/zinc/81/32/87/770813287.db2.gz VWEXVTBRAVVAJU-BPQIPLTHSA-N 0 3 298.430 2.640 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\CCCOC)c([O-])c1 ZINC000255435045 770817674 /nfs/dbraw/zinc/81/76/74/770817674.db2.gz KSRJPPPSMBWWLK-VBKFSLOCSA-N 0 3 264.369 2.694 20 30 CFEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC001267113217 770914114 /nfs/dbraw/zinc/91/41/14/770914114.db2.gz GSWBXMBBYIHDAY-SFHVURJKSA-N 0 3 298.430 2.565 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001167577137 770926251 /nfs/dbraw/zinc/92/62/51/770926251.db2.gz FCNNIHLLRLNMRA-ZIAGYGMSSA-N 0 3 298.858 2.907 20 30 CFEDHN Cn1ncc(Nc2ccnc(C(C)(C)C)c2)c1C#N ZINC001213164465 773194606 /nfs/dbraw/zinc/19/46/06/773194606.db2.gz QQDLWJADKNMSQK-UHFFFAOYSA-N 0 3 255.325 2.728 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)C[C@@H]1CC[C@H](C)O1 ZINC001267247299 773257487 /nfs/dbraw/zinc/25/74/87/773257487.db2.gz HRCSCBMSLUFEGP-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(Cl)CNC[C@H]1C[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001276946500 775100820 /nfs/dbraw/zinc/10/08/20/775100820.db2.gz LEZOPHDCAAZZAO-VGRYAAEGSA-N 0 3 282.815 2.580 20 30 CFEDHN C=CCN(CC)CCNC(=O)CC(C)(C)C(F)(F)F ZINC001267254762 775106998 /nfs/dbraw/zinc/10/69/98/775106998.db2.gz CUXCDSKREYDTOJ-UHFFFAOYSA-N 0 3 280.334 2.589 20 30 CFEDHN C=CCN(CC)CCNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001267254944 775107077 /nfs/dbraw/zinc/10/70/77/775107077.db2.gz LNJDYCAKHARRBY-OAHLLOKOSA-N 0 3 292.810 2.604 20 30 CFEDHN CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127655513 775118384 /nfs/dbraw/zinc/11/83/84/775118384.db2.gz ZDFDYHGBKNVJLB-CYBMUJFWSA-N 0 3 258.321 2.833 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001276955428 775125657 /nfs/dbraw/zinc/12/56/57/775125657.db2.gz HOEKULAOIGAROY-HUUCEWRRSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001267268336 775128865 /nfs/dbraw/zinc/12/88/65/775128865.db2.gz XLJFEOOTSSCKRI-HUUCEWRRSA-N 0 3 266.429 2.969 20 30 CFEDHN N#Cc1ccccc1N1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001276954147 775132068 /nfs/dbraw/zinc/13/20/68/775132068.db2.gz WEUZGPUABGTWMX-ROUUACIJSA-N 0 3 292.386 2.740 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN(C[C@@H](F)CC)C2)C1 ZINC001267302293 775173709 /nfs/dbraw/zinc/17/37/09/775173709.db2.gz ONMXISHVRLXIJR-KGLIPLIRSA-N 0 3 282.403 2.529 20 30 CFEDHN C#CCN(CCC)CCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001267315292 775194208 /nfs/dbraw/zinc/19/42/08/775194208.db2.gz INPPFWIZAOIKND-NVXWUHKLSA-N 0 3 278.440 2.664 20 30 CFEDHN C=Cc1ccc(C(=O)NCCN(CC#CC)CCC)cc1 ZINC001267317990 775198256 /nfs/dbraw/zinc/19/82/56/775198256.db2.gz PIUGLSGVCYPLBT-UHFFFAOYSA-N 0 3 284.403 2.795 20 30 CFEDHN C=CCN(CCNC(=O)c1ccnc2ccccc21)C1CC1 ZINC001267328422 775208295 /nfs/dbraw/zinc/20/82/95/775208295.db2.gz VBLMDUOGWIFDCR-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN(CCNC(=O)[C@H](c1ccccc1)C1CC1)C1CC1 ZINC001267329740 775209886 /nfs/dbraw/zinc/20/98/86/775209886.db2.gz PZVNDKUUVPDDEW-GOSISDBHSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CN(CCNC(=O)c1cccc2cc[nH]c21)C1CC1 ZINC001267333411 775216756 /nfs/dbraw/zinc/21/67/56/775216756.db2.gz ZCNBARGLSNSVSO-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)C[C@@H](C)CC)c1ccccc1 ZINC001267357198 775244603 /nfs/dbraw/zinc/24/46/03/775244603.db2.gz LFDROMKFNUCXSM-RDJZCZTQSA-N 0 3 286.419 2.893 20 30 CFEDHN C=C(C)CN[C@H](CNC(=O)/C(C)=C/C)c1ccccc1 ZINC001267357577 775245291 /nfs/dbraw/zinc/24/52/91/775245291.db2.gz PUIZKAPVVUZPQH-HQYNXSMWSA-N 0 3 272.392 2.976 20 30 CFEDHN CCC(C)(C)C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267421587 775318339 /nfs/dbraw/zinc/31/83/39/775318339.db2.gz HEMAFFLTRXNDIO-UHFFFAOYSA-N 0 3 293.436 2.604 20 30 CFEDHN C#CCNCCN(C)C(=O)[C@@H](CCC)CC1CCCC1 ZINC001267434982 775323374 /nfs/dbraw/zinc/32/33/74/775323374.db2.gz JPQSFBDOEOYSQX-INIZCTEOSA-N 0 3 278.440 2.664 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)SC ZINC001224977607 775325386 /nfs/dbraw/zinc/32/53/86/775325386.db2.gz HSJLUSSKEFCUFR-QJPTWQEYSA-N 0 3 290.860 2.507 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2CC(C)C2)C1 ZINC001267455290 775332378 /nfs/dbraw/zinc/33/23/78/775332378.db2.gz XPXMPNQGHIMPNC-GPANFISMSA-N 0 3 278.440 2.922 20 30 CFEDHN CCCN(C(=O)C#CC(C)(C)C)[C@H]1CCN(CCCF)C1 ZINC001267458327 775338104 /nfs/dbraw/zinc/33/81/04/775338104.db2.gz AFSIKSJIVNVYIG-HNNXBMFYSA-N 0 3 296.430 2.708 20 30 CFEDHN C=CCCC(=O)NCC1(NCc2ccccc2CC)CC1 ZINC001277013595 775347131 /nfs/dbraw/zinc/34/71/31/775347131.db2.gz PRYCNTGMNMOGGE-UHFFFAOYSA-N 0 3 286.419 2.954 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001225162766 775357233 /nfs/dbraw/zinc/35/72/33/775357233.db2.gz MFWNSMSETJTZMK-HNNXBMFYSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001267545790 775455284 /nfs/dbraw/zinc/45/52/84/775455284.db2.gz DUZWFFOVGFUWLE-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN Cc1cc(C#N)c(O[C@H]2CCCN(C(C)C)C2)nc1C ZINC001225530314 775493676 /nfs/dbraw/zinc/49/36/76/775493676.db2.gz HPWCVGCCUTXZOG-HNNXBMFYSA-N 0 3 273.380 2.822 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)NCc1cccnc1 ZINC001283665506 775500763 /nfs/dbraw/zinc/50/07/63/775500763.db2.gz KYFPKSYOOXELBW-GJZGRUSLSA-N 0 3 289.423 2.620 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001025190041 775561502 /nfs/dbraw/zinc/56/15/02/775561502.db2.gz UZXAUZVLOAFYGK-SJORKVTESA-N 0 3 288.435 2.655 20 30 CFEDHN N#Cc1cc(Cl)cc(O[C@H]2CN3CCC2CC3)c1 ZINC001225697500 775562493 /nfs/dbraw/zinc/56/24/93/775562493.db2.gz JIIQCHQRULMQPJ-AWEZNQCLSA-N 0 3 262.740 2.685 20 30 CFEDHN CN1CCC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698620 775562817 /nfs/dbraw/zinc/56/28/17/775562817.db2.gz VSDHADGTYWHXQF-LBPRGKRZSA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001025191498 775565287 /nfs/dbraw/zinc/56/52/87/775565287.db2.gz JVHZESNRQBLRRC-DLBZAZTESA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001025215200 775572218 /nfs/dbraw/zinc/57/22/18/775572218.db2.gz JNFDOJNSIPFZGF-IRXDYDNUSA-N 0 3 288.435 2.655 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2cccc(F)c2C#N)C1 ZINC001225973342 775653557 /nfs/dbraw/zinc/65/35/57/775653557.db2.gz GJFRSQUAIOPDST-LBPRGKRZSA-N 0 3 262.328 2.949 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562406 775697951 /nfs/dbraw/zinc/69/79/51/775697951.db2.gz SGKJNDVYQLZCHI-KGLIPLIRSA-N 0 3 290.432 2.520 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603729 775706489 /nfs/dbraw/zinc/70/64/89/775706489.db2.gz XEVOALGQBMAPSC-FUHWJXTLSA-N 0 3 298.430 2.849 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC001025611211 775707983 /nfs/dbraw/zinc/70/79/83/775707983.db2.gz KFXCQEAOKYUIOL-IRXDYDNUSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCNC1(CNC(=O)c2ccc(CCCC)cc2)CC1 ZINC001277109345 775743150 /nfs/dbraw/zinc/74/31/50/775743150.db2.gz XHVMTPCHWWGZED-UHFFFAOYSA-N 0 3 284.403 2.514 20 30 CFEDHN COc1cccc(C#N)c1OC1CCN(C2CC2)CC1 ZINC001226246974 775753969 /nfs/dbraw/zinc/75/39/69/775753969.db2.gz FUYKBKDBGGPITH-UHFFFAOYSA-N 0 3 272.348 2.572 20 30 CFEDHN COc1ccccc1CCN1CCC[C@@H](CC#N)C1 ZINC001207456228 775769554 /nfs/dbraw/zinc/76/95/54/775769554.db2.gz LACOBXSKKXVJDQ-AWEZNQCLSA-N 0 3 258.365 2.863 20 30 CFEDHN C=CCCC(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001267677179 775771367 /nfs/dbraw/zinc/77/13/67/775771367.db2.gz XIFSTPNRKQICLS-CQSZACIVSA-N 0 3 272.392 2.762 20 30 CFEDHN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C ZINC001267711171 775799563 /nfs/dbraw/zinc/79/95/63/775799563.db2.gz MVGMCQLFJQJFKB-FXUDXRNXSA-N 0 3 278.440 2.898 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001075539602 775801503 /nfs/dbraw/zinc/80/15/03/775801503.db2.gz PBSVFNHBORJHOQ-GOEBONIOSA-N 0 3 288.391 2.619 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCC1 ZINC001267712660 775802073 /nfs/dbraw/zinc/80/20/73/775802073.db2.gz UVJGSYZWEMFIHM-STQMWFEESA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C(F)(F)F ZINC001112044682 775822903 /nfs/dbraw/zinc/82/29/03/775822903.db2.gz GJZZVBQLKWDLME-VXGBXAGGSA-N 0 3 292.345 2.588 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001267738536 775846683 /nfs/dbraw/zinc/84/66/83/775846683.db2.gz JJFAEWQQYVODLM-WCQYABFASA-N 0 3 293.436 2.610 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CC[C@H](C)F)C1 ZINC001267747356 775870810 /nfs/dbraw/zinc/87/08/10/775870810.db2.gz UDBOSMIWTMMJEI-QWHCGFSZSA-N 0 3 270.392 2.527 20 30 CFEDHN C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccnc(N)c2)O1 ZINC001226657447 775907740 /nfs/dbraw/zinc/90/77/40/775907740.db2.gz PXFSKQDITVUNFY-DOMZBBRYSA-N 0 3 262.353 2.945 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(CCOC(C)C)C1 ZINC001267774260 775915549 /nfs/dbraw/zinc/91/55/49/775915549.db2.gz VIQVUYCGYJURMW-OAHLLOKOSA-N 0 3 296.455 2.546 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)C2CC2)C1 ZINC001267785103 775927981 /nfs/dbraw/zinc/92/79/81/775927981.db2.gz NTKYZKHYLDLLQE-HIFRSBDPSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@H](C)CCCC)C1 ZINC001267786212 775929720 /nfs/dbraw/zinc/92/97/20/775929720.db2.gz ZMMSVROTXUZHQP-HZPDHXFCSA-N 0 3 278.440 2.759 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)CC(C)(C)C=C)C1 ZINC001267787148 775929933 /nfs/dbraw/zinc/92/99/33/775929933.db2.gz WHRAAAZQEFMKCM-HNNXBMFYSA-N 0 3 276.424 2.535 20 30 CFEDHN CCC(=O)NC[C@@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001267794378 775935104 /nfs/dbraw/zinc/93/51/04/775935104.db2.gz NURKKMHUNPMOJU-OAHLLOKOSA-N 0 3 292.810 2.586 20 30 CFEDHN C=CCCC(=O)NC[C@@H](CC)NCc1ccnc(Cl)c1 ZINC001267797861 775939649 /nfs/dbraw/zinc/93/96/49/775939649.db2.gz NGIJRLSGAYOTJS-CYBMUJFWSA-N 0 3 295.814 2.686 20 30 CFEDHN CC(=O)c1cc(C#N)ccc1O[C@H]1[C@@H]2CCC[C@H]1CN(C)C2 ZINC001226972193 776040051 /nfs/dbraw/zinc/04/00/51/776040051.db2.gz ICEWPNMIPMFSKO-HWWDLCQESA-N 0 3 298.386 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ZINC001268631155 777002179 /nfs/dbraw/zinc/00/21/79/777002179.db2.gz XCPHGODTRHQKEJ-XHPSBEMXSA-N 0 3 284.403 2.709 20 30 CFEDHN CN1CC[C@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230633296 777031050 /nfs/dbraw/zinc/03/10/50/777031050.db2.gz SIEGREXOKSVEOH-ZDUSSCGKSA-N 0 3 258.365 2.939 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(Cl)cc1C ZINC001268745389 777043143 /nfs/dbraw/zinc/04/31/43/777043143.db2.gz IBNUGXCTFOYTLU-LBPRGKRZSA-N 0 3 280.799 2.885 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@H](C=C)c1ccccc1 ZINC001268756524 777046032 /nfs/dbraw/zinc/04/60/32/777046032.db2.gz KLIKPWDIZLQESF-GDBMZVCRSA-N 0 3 272.392 2.579 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1cc(Cl)cc(OC)c1 ZINC001268752591 777046885 /nfs/dbraw/zinc/04/68/85/777046885.db2.gz QCBRBZDTDGXDNR-NSHDSACASA-N 0 3 296.798 2.585 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001230759241 777059341 /nfs/dbraw/zinc/05/93/41/777059341.db2.gz QBVBXBQEWMOWHX-CYBMUJFWSA-N 0 3 295.814 2.781 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230823978 777071391 /nfs/dbraw/zinc/07/13/91/777071391.db2.gz QPRNIRMMGAIAOT-CQSZACIVSA-N 0 3 284.469 2.627 20 30 CFEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\CC ZINC001268929492 777074876 /nfs/dbraw/zinc/07/48/76/777074876.db2.gz BOHLTGJHHMVFAR-UWERJEOXSA-N 0 3 262.397 2.594 20 30 CFEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CCF)CC1 ZINC001268955641 777077512 /nfs/dbraw/zinc/07/75/12/777077512.db2.gz HPWFCBABYYXRNH-ILXRZTDVSA-N 0 3 294.414 2.766 20 30 CFEDHN C=CCCCN1CC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001269092011 777100281 /nfs/dbraw/zinc/10/02/81/777100281.db2.gz HOJXASDGPDRLGU-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OC ZINC001230967661 777103738 /nfs/dbraw/zinc/10/37/38/777103738.db2.gz PDSCCTGKAQBYPR-HUUCEWRRSA-N 0 3 284.444 2.524 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001269118428 777105438 /nfs/dbraw/zinc/10/54/38/777105438.db2.gz VWBCDQXXJHXCGB-QGZVFWFLSA-N 0 3 286.419 2.960 20 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3 298.430 2.714 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231177324 777165673 /nfs/dbraw/zinc/16/56/73/777165673.db2.gz DAEAHBCEAVTOCD-LSDHHAIUSA-N 0 3 266.429 2.777 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCOCC ZINC001231209714 777170772 /nfs/dbraw/zinc/17/07/72/777170772.db2.gz XGRQMMUKHIURJT-MRXNPFEDSA-N 0 3 298.471 2.916 20 30 CFEDHN CC[C@@H](CNC(=O)[C@@H](C)C1CC1)NCC#Cc1ccccc1 ZINC001269384064 777181616 /nfs/dbraw/zinc/18/16/16/777181616.db2.gz NYFZWRBAKZYMGB-YJBOKZPZSA-N 0 3 298.430 2.569 20 30 CFEDHN CC#CCNC1(CNC(=O)c2ccc(CC)c(CC)c2)CC1 ZINC001269548189 777206633 /nfs/dbraw/zinc/20/66/33/777206633.db2.gz BQLOBQDWZATKHO-UHFFFAOYSA-N 0 3 298.430 2.687 20 30 CFEDHN COc1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001231600850 777274411 /nfs/dbraw/zinc/27/44/11/777274411.db2.gz YBPGWCMAEGEELZ-AWEZNQCLSA-N 0 3 293.363 2.608 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@](C)(O)CC1 ZINC001231616702 777280309 /nfs/dbraw/zinc/28/03/09/777280309.db2.gz LFABQWSOOGVTFT-CXAGYDPISA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](O)C[C@@H]2C)c1 ZINC001231625591 777284336 /nfs/dbraw/zinc/28/43/36/777284336.db2.gz WODODZLPZXPTCY-DZGCQCFKSA-N 0 3 261.365 2.597 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@@H](c3noc(C)n3)C2)c1 ZINC001231656146 777294312 /nfs/dbraw/zinc/29/43/12/777294312.db2.gz FRJDEXWEVJYZAX-MRXNPFEDSA-N 0 3 281.359 2.739 20 30 CFEDHN C#Cc1cccc(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001231657967 777296291 /nfs/dbraw/zinc/29/62/91/777296291.db2.gz PFJOTBSQCWJRQN-IAGOWNOFSA-N 0 3 255.361 2.669 20 30 CFEDHN C#Cc1cccc(CN2CCC(c3noc(C)n3)CC2)c1 ZINC001231659485 777297836 /nfs/dbraw/zinc/29/78/36/777297836.db2.gz NIHAYKGZFAWUTH-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN C#Cc1cccc(CN2CCC(c3nnc(C)o3)CC2)c1 ZINC001231660881 777298083 /nfs/dbraw/zinc/29/80/83/777298083.db2.gz KXTBIQNCVRMYOJ-UHFFFAOYSA-N 0 3 281.359 2.739 20 30 CFEDHN C#Cc1cccc(CN2CCC(c3nc(CC)no3)CC2)c1 ZINC001231663005 777300053 /nfs/dbraw/zinc/30/00/53/777300053.db2.gz NLFPLJWDBVBNDN-UHFFFAOYSA-N 0 3 295.386 2.993 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001028926512 777325244 /nfs/dbraw/zinc/32/52/44/777325244.db2.gz OBVBABBITAYWRR-HNNXBMFYSA-N 0 3 296.414 2.639 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)CC2=CCCCC2)CC1 ZINC001270212546 777332040 /nfs/dbraw/zinc/33/20/40/777332040.db2.gz AQDANBVUQPAOSN-UHFFFAOYSA-N 0 3 288.435 2.871 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)CC(C)(C)CC)CC1 ZINC001270231676 777336463 /nfs/dbraw/zinc/33/64/63/777336463.db2.gz IPMXRBFIXBIMPD-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029011316 777378426 /nfs/dbraw/zinc/37/84/26/777378426.db2.gz IFDQCACIVYGDLG-CVEARBPZSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)CC)C2 ZINC001270512000 777396905 /nfs/dbraw/zinc/39/69/05/777396905.db2.gz FVRISQZSAKQRSY-AEFFLSMTSA-N 0 3 290.451 2.760 20 30 CFEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc2c[nH]ccc-2n1 ZINC001232016210 777414776 /nfs/dbraw/zinc/41/47/76/777414776.db2.gz UVDVGEYORGUEOF-UWEBFBLFSA-N 0 3 266.348 2.829 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1Cl ZINC001232115858 777445412 /nfs/dbraw/zinc/44/54/12/777445412.db2.gz CGLXQXKAAITWBZ-UPUJQMMVSA-N 0 3 288.778 2.821 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cnc(-c3cccnc3)o2)C1 ZINC001232133806 777448720 /nfs/dbraw/zinc/44/87/20/777448720.db2.gz ODVJUPCRJNJJSN-CYBMUJFWSA-N 0 3 267.332 2.582 20 30 CFEDHN C=C(Cl)CNC1(CNC(=O)/C(C)=C\C)CCCC1 ZINC001270727983 777467352 /nfs/dbraw/zinc/46/73/52/777467352.db2.gz PHMVOCFRNKGHPH-WCIBSUBMSA-N 0 3 270.804 2.724 20 30 CFEDHN CC[C@H](C#Cc1ccccc1)Oc1ccnc(N)c1 ZINC001226653384 777592309 /nfs/dbraw/zinc/59/23/09/777592309.db2.gz IMWFUNWYWIHQAY-CQSZACIVSA-N 0 3 252.317 2.873 20 30 CFEDHN C=CCN1CCC[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001270949759 777613235 /nfs/dbraw/zinc/61/32/35/777613235.db2.gz JZYXTBHSSIVQIC-QGZVFWFLSA-N 0 3 278.440 2.971 20 30 CFEDHN CC#CCN1CCC[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001270990947 777622340 /nfs/dbraw/zinc/62/23/40/777622340.db2.gz HIYCZIMYVQSFMT-QGZVFWFLSA-N 0 3 290.451 2.808 20 30 CFEDHN CC#CCN1CCC[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001270991278 777622542 /nfs/dbraw/zinc/62/25/42/777622542.db2.gz MVOLTESNFJMWNU-KRWDZBQOSA-N 0 3 278.440 2.664 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001271099595 777649428 /nfs/dbraw/zinc/64/94/28/777649428.db2.gz DLNCHUGOOYGMBT-GFCCVEGCSA-N 0 3 288.382 2.680 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1CC ZINC001087564804 777657210 /nfs/dbraw/zinc/65/72/10/777657210.db2.gz VBBMHBXWUIUOMA-UONOGXRCSA-N 0 3 290.432 2.663 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087619926 777668416 /nfs/dbraw/zinc/66/84/16/777668416.db2.gz JWBNRUUQRIEMRM-VHDGCEQUSA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1CC ZINC001087709283 777684634 /nfs/dbraw/zinc/68/46/34/777684634.db2.gz PXNCFTGXHMFTHF-DLBZAZTESA-N 0 3 286.419 2.693 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1CC ZINC001087736734 777689464 /nfs/dbraw/zinc/68/94/64/777689464.db2.gz HQRQQHBWBCWFDN-DLBZAZTESA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1CC ZINC001087735765 777689728 /nfs/dbraw/zinc/68/97/28/777689728.db2.gz DVUFBFIZZBAFCW-JKSUJKDBSA-N 0 3 290.382 2.903 20 30 CFEDHN N#Cc1ccc(CN2CCC3(C[C@@H]3CCO)CC2)s1 ZINC001232844596 777691237 /nfs/dbraw/zinc/69/12/37/777691237.db2.gz VZNOOQOJQFXVES-LBPRGKRZSA-N 0 3 276.405 2.604 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1CC ZINC001087742249 777691409 /nfs/dbraw/zinc/69/14/09/777691409.db2.gz BLMPMYNMKTZSBC-ARFHVFGLSA-N 0 3 290.382 2.852 20 30 CFEDHN COc1cccc(CCN(C)Cc2cccc(C#N)n2)c1 ZINC001232924557 777721856 /nfs/dbraw/zinc/72/18/56/777721856.db2.gz KKZPHHYUTFFLMS-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN COc1ccc(CCN(C)Cc2cccc(C#N)n2)cc1 ZINC001232924604 777722232 /nfs/dbraw/zinc/72/22/32/777722232.db2.gz NKEACHOMOWMESF-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN Cc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)c(C#N)c1 ZINC001232961664 777739079 /nfs/dbraw/zinc/73/90/79/777739079.db2.gz BZTUHLOUOAMFDQ-RDJZCZTQSA-N 0 3 270.376 2.868 20 30 CFEDHN Cc1ccc(CN2CCC[C@@](C)(O)[C@@H](C)C2)c(C#N)c1 ZINC001232963855 777740373 /nfs/dbraw/zinc/74/03/73/777740373.db2.gz NJPPPFPXFGXYNZ-WMLDXEAASA-N 0 3 272.392 2.850 20 30 CFEDHN Cc1ccc(CN2CCC3SC(=O)C=C3C2)c(C#N)c1 ZINC001232963272 777741142 /nfs/dbraw/zinc/74/11/42/777741142.db2.gz DAZBRDZVQLVFDN-HNNXBMFYSA-N 0 3 284.384 2.641 20 30 CFEDHN Cc1ccc(CN2CCC3(C2)CCOCC3)c(C#N)c1 ZINC001232966299 777741654 /nfs/dbraw/zinc/74/16/54/777741654.db2.gz KDYIQKRGBWYKKB-UHFFFAOYSA-N 0 3 270.376 2.869 20 30 CFEDHN C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCF)CC1 ZINC001029455141 777743403 /nfs/dbraw/zinc/74/34/03/777743403.db2.gz UCACVUVZNWWITE-IYBDPMFKSA-N 0 3 294.414 2.768 20 30 CFEDHN COC(=O)C[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233082777 777791573 /nfs/dbraw/zinc/79/15/73/777791573.db2.gz ZGYJIHGQWRFJIQ-HNNXBMFYSA-N 0 3 286.375 2.642 20 30 CFEDHN CN(C)c1ccc(CN2C[C@H]3CCC[C@@H]3C2)c(F)c1C#N ZINC001233096893 777795199 /nfs/dbraw/zinc/79/51/99/777795199.db2.gz NQBBDFGWZWYLSX-CHWSQXEVSA-N 0 3 287.382 2.995 20 30 CFEDHN Cc1c[nH]c(=O)c(CN(C)Cc2ccc(C#N)cc2)c1 ZINC001233193360 777824328 /nfs/dbraw/zinc/82/43/28/777824328.db2.gz YXAIMJFLTUYTCR-UHFFFAOYSA-N 0 3 267.332 2.599 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2cccc3c2CCO3)C1 ZINC001233276903 777858570 /nfs/dbraw/zinc/85/85/70/777858570.db2.gz FPJQQRYHYXGTNO-ZDUSSCGKSA-N 0 3 256.349 2.747 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC001233294775 777871962 /nfs/dbraw/zinc/87/19/62/777871962.db2.gz YGEDMMLZHKUWQE-LBPRGKRZSA-N 0 3 297.358 2.772 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)CCCF ZINC001271567640 777886635 /nfs/dbraw/zinc/88/66/35/777886635.db2.gz ZMXVZGPQIAFUPP-ZDUSSCGKSA-N 0 3 290.810 2.849 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)c2ccc[nH]2)C1 ZINC001088262958 777942345 /nfs/dbraw/zinc/94/23/45/777942345.db2.gz QZNBMJHJLOIPAK-ZDUSSCGKSA-N 0 3 295.814 2.742 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ncccc1C ZINC001233511360 777975503 /nfs/dbraw/zinc/97/55/03/777975503.db2.gz MLAOFPPTLZAGNH-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@H]1C=CCC1 ZINC001271796487 777976863 /nfs/dbraw/zinc/97/68/63/777976863.db2.gz DROVRTFIZDRBNU-KRWDZBQOSA-N 0 3 296.414 2.594 20 30 CFEDHN C#CCN1C[C@@H]2CN(C(=O)CCCC[C@H](C)CC)C[C@@H]2C1 ZINC001271859947 778004260 /nfs/dbraw/zinc/00/42/60/778004260.db2.gz FHFLYLYITWQULU-ZACQAIPSSA-N 0 3 290.451 2.616 20 30 CFEDHN CC[NH+](CC)C[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799306 778079943 /nfs/dbraw/zinc/07/99/43/778079943.db2.gz HIQJFKHCGWBTEB-HMHNVIDESA-N 0 3 280.368 2.612 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)CCCC ZINC001272005552 778107851 /nfs/dbraw/zinc/10/78/51/778107851.db2.gz TYHMDGZHJFAYOE-AWEZNQCLSA-N 0 3 254.418 2.779 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233926412 778115336 /nfs/dbraw/zinc/11/53/36/778115336.db2.gz NECMVGLIVTURQX-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN N#Cc1cc([O-])cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001234141558 778174588 /nfs/dbraw/zinc/17/45/88/778174588.db2.gz PKQLFLBAILKYMY-QGZVFWFLSA-N 0 3 294.354 2.917 20 30 CFEDHN N#Cc1cc([O-])cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001234141558 778174592 /nfs/dbraw/zinc/17/45/92/778174592.db2.gz PKQLFLBAILKYMY-QGZVFWFLSA-N 0 3 294.354 2.917 20 30 CFEDHN CC#CCN(C)CCCNC(=O)[C@@H](CC)CCCC ZINC001234270177 778198011 /nfs/dbraw/zinc/19/80/11/778198011.db2.gz UBGKJMYYJFAMNO-HNNXBMFYSA-N 0 3 266.429 2.664 20 30 CFEDHN CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1ccc(Cl)cc1)C(=O)N[O-] ZINC001168171930 778206942 /nfs/dbraw/zinc/20/69/42/778206942.db2.gz YXFKIATVGUSGGX-WDMOLILDSA-N 0 3 298.814 2.781 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C[C@H](CC)OC ZINC001234554068 778251224 /nfs/dbraw/zinc/25/12/24/778251224.db2.gz DFXWKYDTPAHFCL-CABCVRRESA-N 0 3 296.455 2.546 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCCOCC ZINC001234555759 778252896 /nfs/dbraw/zinc/25/28/96/778252896.db2.gz XXKXWZLJNIFGSN-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)Cc1ccc(Cl)s1 ZINC001272125368 778359977 /nfs/dbraw/zinc/35/99/77/778359977.db2.gz BBWRCNSILMQPGP-UHFFFAOYSA-N 0 3 286.828 2.520 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCC3)[C@@H]2C1 ZINC001075933991 778375627 /nfs/dbraw/zinc/37/56/27/778375627.db2.gz BXAVIRDOOXREJA-VNQPRFMTSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656051 778377004 /nfs/dbraw/zinc/37/70/04/778377004.db2.gz CQTOPRPWTQKNMX-OAGGEKHMSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235241494 778429100 /nfs/dbraw/zinc/42/91/00/778429100.db2.gz BLSFNYFSSVDNDD-LBPRGKRZSA-N 0 3 288.382 2.777 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](OCC)C(C)C ZINC001235279639 778441285 /nfs/dbraw/zinc/44/12/85/778441285.db2.gz FHQSGCWYHUPEJS-JKSUJKDBSA-N 0 3 296.455 2.546 20 30 CFEDHN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(C#N)cc1 ZINC000030532402 778473364 /nfs/dbraw/zinc/47/33/64/778473364.db2.gz NULMXEUCEIBWJA-SMDDNHRTSA-N 0 3 256.305 2.535 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088797990 778499515 /nfs/dbraw/zinc/49/95/15/778499515.db2.gz UVYZSLXYMBAJCL-OAGGEKHMSA-N 0 3 276.424 2.888 20 30 CFEDHN N#CCc1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC001235522708 778510196 /nfs/dbraw/zinc/51/01/96/778510196.db2.gz IUPCVBZFRBLPJF-AWEZNQCLSA-N 0 3 253.349 2.878 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001235528086 778512844 /nfs/dbraw/zinc/51/28/44/778512844.db2.gz MBTXNFVIRLUJDK-OAHLLOKOSA-N 0 3 292.329 2.753 20 30 CFEDHN C=CCOc1ccccc1[C@H](C)NC(=O)CN(C)C(C)C ZINC001142590147 778513876 /nfs/dbraw/zinc/51/38/76/778513876.db2.gz HVSANKVYKOSGFD-AWEZNQCLSA-N 0 3 290.407 2.769 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1C ZINC001088817844 778530509 /nfs/dbraw/zinc/53/05/09/778530509.db2.gz KICRDYREACTJPL-ZJUUUORDSA-N 0 3 299.827 2.565 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235684147 778535157 /nfs/dbraw/zinc/53/51/57/778535157.db2.gz JQALWAHOMDCULR-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076204967 778575868 /nfs/dbraw/zinc/57/58/68/778575868.db2.gz GTWLZZSUYMKJCR-ZWKOTPCHSA-N 0 3 298.430 2.565 20 30 CFEDHN N#Cc1ccc(CN2CCN[C@H](c3ccccc3)C2)c(F)c1 ZINC001235855048 778582122 /nfs/dbraw/zinc/58/21/22/778582122.db2.gz RJDZOKPKTBUEJL-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN N#Cc1cccc(CN2CCN[C@@H](c3ccccc3)C2)c1F ZINC001235863158 778584781 /nfs/dbraw/zinc/58/47/81/778584781.db2.gz CRTREQXDGKOSOI-QGZVFWFLSA-N 0 3 295.361 2.844 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001076425907 778588504 /nfs/dbraw/zinc/58/85/04/778588504.db2.gz ARGMSKQONIRHPM-LSDHHAIUSA-N 0 3 294.414 2.768 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076497617 778590996 /nfs/dbraw/zinc/59/09/96/778590996.db2.gz GUUOJVWRYTURJG-DOTOQJQBSA-N 0 3 284.403 2.636 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001076522079 778594357 /nfs/dbraw/zinc/59/43/57/778594357.db2.gz HCMJTVFUQBYSTF-ZWKOTPCHSA-N 0 3 298.430 2.971 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840241 778781495 /nfs/dbraw/zinc/78/14/95/778781495.db2.gz BLEPEXBDQKLOQR-KFWWJZLASA-N 0 3 278.440 2.968 20 30 CFEDHN [O-]/N=C/c1ccc(F)c(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236351620 778789201 /nfs/dbraw/zinc/78/92/01/778789201.db2.gz ASFBMPYCSGUVND-DJKKODMXSA-N 0 3 270.307 2.947 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1C ZINC001088885638 778934883 /nfs/dbraw/zinc/93/48/83/778934883.db2.gz HXYPBOWDBUFCRB-NUJGCVRESA-N 0 3 298.430 2.701 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1C ZINC001088903545 778941950 /nfs/dbraw/zinc/94/19/50/778941950.db2.gz WMZLVIVDKNMTIR-BGTYHANMSA-N 0 3 298.430 2.945 20 30 CFEDHN COc1cc(C)c(C[NH+]2CCC(S)CC2)c([O-])c1 ZINC001236810910 778947957 /nfs/dbraw/zinc/94/79/57/778947957.db2.gz LBLVKRYKJHYKMP-UHFFFAOYSA-N 0 3 267.394 2.603 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC001088991659 778969115 /nfs/dbraw/zinc/96/91/15/778969115.db2.gz LEAAFGKXKCVSRT-XBVQOTNRSA-N 0 3 284.403 2.555 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC001089016628 778973608 /nfs/dbraw/zinc/97/36/08/778973608.db2.gz KIYBDYDDPLLADW-WBVHZDCISA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1C ZINC001089055496 778983119 /nfs/dbraw/zinc/98/31/19/778983119.db2.gz NVYVMMKOLBYDAQ-JZXOWHBKSA-N 0 3 298.430 2.701 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089067679 778985080 /nfs/dbraw/zinc/98/50/80/778985080.db2.gz RMJRXASBCWHGAP-ILXRZTDVSA-N 0 3 278.440 2.968 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065807 778985895 /nfs/dbraw/zinc/98/58/95/778985895.db2.gz CIZZSLPFSGIKBB-OAGGEKHMSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)[C@H](C)CCC)CC1 ZINC001278039203 778992806 /nfs/dbraw/zinc/99/28/06/778992806.db2.gz HCEQROCLKVJSNW-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CN(Cc1cn2cc(C#N)ccc2n1)C1CCCCC1 ZINC001237604991 779140768 /nfs/dbraw/zinc/14/07/68/779140768.db2.gz UQTOUUJKGNCDHR-UHFFFAOYSA-N 0 3 268.364 2.970 20 30 CFEDHN CC(C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130196350 779145833 /nfs/dbraw/zinc/14/58/33/779145833.db2.gz XFRDAPZBMUKUIE-SECBINFHSA-N 0 3 282.702 2.782 20 30 CFEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC001281921658 779222444 /nfs/dbraw/zinc/22/24/44/779222444.db2.gz ZJCZPJCRJKRQPS-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN SC1CCN(Cc2cccc(N3CCCCC3)n2)CC1 ZINC001238011229 779230814 /nfs/dbraw/zinc/23/08/14/779230814.db2.gz MERYFEFRJBNFTN-UHFFFAOYSA-N 0 3 291.464 2.966 20 30 CFEDHN CCc1cc(CN2CC[C@H](CC(=O)OC)C2)ccc1C#N ZINC001238772369 779388133 /nfs/dbraw/zinc/38/81/33/779388133.db2.gz PDIOZTGBDKQUDB-CQSZACIVSA-N 0 3 286.375 2.506 20 30 CFEDHN CCc1cc(CN2CCN3CCCC[C@@H]3C2)ccc1C#N ZINC001238773987 779390103 /nfs/dbraw/zinc/39/01/03/779390103.db2.gz FJVILOGDUUKBSB-GOSISDBHSA-N 0 3 283.419 2.791 20 30 CFEDHN CCCCCCCCNC(=O)N1[C@H](C)CNC[C@@H]1C ZINC001239268622 779495166 /nfs/dbraw/zinc/49/51/66/779495166.db2.gz IIAUCHZIFIIZSF-OKILXGFUSA-N 0 3 269.433 2.739 20 30 CFEDHN CCCCCCC[C@H](C)NC(=O)N1CC[C@@H](F)[C@@H](N)C1 ZINC001239288371 779501563 /nfs/dbraw/zinc/50/15/63/779501563.db2.gz QCXIRCHDTYQTPR-MJBXVCDLSA-N 0 3 287.423 2.816 20 30 CFEDHN CCCCCCC[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001239288708 779502044 /nfs/dbraw/zinc/50/20/44/779502044.db2.gz QCXIRCHDTYQTPR-BFHYXJOUSA-N 0 3 287.423 2.816 20 30 CFEDHN CCCCCCCOC(=O)NC[C@H]1CCNC[C@H]1F ZINC001239320689 779513566 /nfs/dbraw/zinc/51/35/66/779513566.db2.gz VLKADNSFIZLSSO-CHWSQXEVSA-N 0 3 274.380 2.631 20 30 CFEDHN CCCCCCCCCOC(=O)N1C[C@H]2CNC[C@@H](C1)O2 ZINC001239332286 779521597 /nfs/dbraw/zinc/52/15/97/779521597.db2.gz SSXFVXMLCKZSDV-GASCZTMLSA-N 0 3 298.427 2.546 20 30 CFEDHN CCCCCCCCOC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001239334234 779523896 /nfs/dbraw/zinc/52/38/96/779523896.db2.gz GPHLFVFXWBNVOY-CHWSQXEVSA-N 0 3 274.380 2.855 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccccc2C(C)(C)C)C1 ZINC001031756318 779590151 /nfs/dbraw/zinc/59/01/51/779590151.db2.gz ZJSGEYITORYXBA-UHFFFAOYSA-N 0 3 298.430 2.669 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001031829184 779632517 /nfs/dbraw/zinc/63/25/17/779632517.db2.gz IFXNFABDZPLKFR-UHFFFAOYSA-N 0 3 298.430 2.714 20 30 CFEDHN C#CCN1CCC2(CCN(C(=O)c3ccc(C)cc3)C2)CC1 ZINC001040922703 779660685 /nfs/dbraw/zinc/66/06/85/779660685.db2.gz CDUNMBQCOIGMFX-UHFFFAOYSA-N 0 3 296.414 2.556 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1 ZINC001032255883 779794397 /nfs/dbraw/zinc/79/43/97/779794397.db2.gz HCGMBVIPCVEXEF-HOTGVXAUSA-N 0 3 270.376 2.552 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)CCCC)C1 ZINC001107744390 779893114 /nfs/dbraw/zinc/89/31/14/779893114.db2.gz AZIKTOBEJLVXSM-RDJZCZTQSA-N 0 3 296.455 2.738 20 30 CFEDHN CCCCCCC[C@H](C)NC(=O)N1CC[C@@H]1NC ZINC001239292942 779917563 /nfs/dbraw/zinc/91/75/63/779917563.db2.gz LVARMJYYLLJXOJ-QWHCGFSZSA-N 0 3 255.406 2.696 20 30 CFEDHN C[C@@H]1CCC[C@H]1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001127921935 779938323 /nfs/dbraw/zinc/93/83/23/779938323.db2.gz LWMVEZGPGZVCHR-PBHICJAKSA-N 0 3 299.418 2.590 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)[nH]1 ZINC001032610784 780071170 /nfs/dbraw/zinc/07/11/70/780071170.db2.gz VQUBATNWOULEJJ-RYUDHWBXSA-N 0 3 293.798 2.533 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001032648233 780113865 /nfs/dbraw/zinc/11/38/65/780113865.db2.gz SJNQRHBPBATSEL-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cc1 ZINC001032654582 780118074 /nfs/dbraw/zinc/11/80/74/780118074.db2.gz DJHQEEXPHRCPQR-ROUUACIJSA-N 0 3 298.430 2.653 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001128081305 780138040 /nfs/dbraw/zinc/13/80/40/780138040.db2.gz LFXHZEBDBZAJJS-UHFFFAOYSA-N 0 3 297.402 2.532 20 30 CFEDHN C#CCCN1CCc2c(CNC(=O)[C@@H](C)CC)cccc2C1 ZINC001272909574 780207822 /nfs/dbraw/zinc/20/78/22/780207822.db2.gz PFMGYCUELOYBCP-HNNXBMFYSA-N 0 3 298.430 2.730 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CC2CC2)C12CCC2 ZINC001078529149 780266694 /nfs/dbraw/zinc/26/66/94/780266694.db2.gz MOOJMNNZFCHGIQ-QWHCGFSZSA-N 0 3 282.815 2.556 20 30 CFEDHN C=CCN1CC[C@]2(CCCN2Cc2sccc2C)C1=O ZINC001272933111 780301497 /nfs/dbraw/zinc/30/14/97/780301497.db2.gz RWTPRWFOBJEQSZ-MRXNPFEDSA-N 0 3 290.432 2.809 20 30 CFEDHN CC(C)C(C)(C)C(=O)NCCNCc1ccc(C#N)s1 ZINC001128158864 780327420 /nfs/dbraw/zinc/32/74/20/780327420.db2.gz XQELAQPMRDAWKQ-UHFFFAOYSA-N 0 3 293.436 2.508 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(Cl)nc1 ZINC001128242733 780368073 /nfs/dbraw/zinc/36/80/73/780368073.db2.gz VDSKINRNVXTWKM-UHFFFAOYSA-N 0 3 295.814 2.543 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(F)c2)C1 ZINC001032875769 780494671 /nfs/dbraw/zinc/49/46/71/780494671.db2.gz HNUIHQIIWAIJPM-OAHLLOKOSA-N 0 3 276.355 2.548 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001033102548 780563301 /nfs/dbraw/zinc/56/33/01/780563301.db2.gz ZLSXBYRXKOAOQQ-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001033487292 780692961 /nfs/dbraw/zinc/69/29/61/780692961.db2.gz FFYZRTKUKVSVJB-GJZGRUSLSA-N 0 3 290.407 2.800 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033677535 780746904 /nfs/dbraw/zinc/74/69/04/780746904.db2.gz BXVJVKZPUUWGOD-IRXDYDNUSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(C)nc2)C1 ZINC001033747397 780775725 /nfs/dbraw/zinc/77/57/25/780775725.db2.gz ODQCJAKIMHPACQ-MRXNPFEDSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033753671 780779429 /nfs/dbraw/zinc/77/94/29/780779429.db2.gz SVBQTZZKGJSABZ-CVEARBPZSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccncc2C)CC1 ZINC001005370759 780796308 /nfs/dbraw/zinc/79/63/08/780796308.db2.gz SSNHSUDRHJWGOC-UHFFFAOYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033984451 780849260 /nfs/dbraw/zinc/84/92/60/780849260.db2.gz RSNWQGJBTMTSSI-HRCADAONSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001034083541 780885864 /nfs/dbraw/zinc/88/58/64/780885864.db2.gz DNKGNROQZBGREX-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034092474 780888509 /nfs/dbraw/zinc/88/85/09/780888509.db2.gz UYAKGOBSVVAQFF-MRXNPFEDSA-N 0 3 272.392 2.765 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034095087 780891172 /nfs/dbraw/zinc/89/11/72/780891172.db2.gz JTROBRSGXGDHEM-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN1CCCC[C@H](NC(=O)c2scnc2C)C1 ZINC001034121100 780896738 /nfs/dbraw/zinc/89/67/38/780896738.db2.gz HRNFOAHFGWZRGT-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034152393 780909409 /nfs/dbraw/zinc/90/94/09/780909409.db2.gz SKNNRYNTSWBJHK-CYBMUJFWSA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001034184787 780917033 /nfs/dbraw/zinc/91/70/33/780917033.db2.gz QRUAOGANFCDPCF-GFCCVEGCSA-N 0 3 294.782 2.541 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034203228 780919778 /nfs/dbraw/zinc/91/97/78/780919778.db2.gz YJCKVGWLZJYHGO-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001034305387 780942944 /nfs/dbraw/zinc/94/29/44/780942944.db2.gz GSWNSWWVALMUER-HNNXBMFYSA-N 0 3 297.402 2.710 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034327068 780945584 /nfs/dbraw/zinc/94/55/84/780945584.db2.gz FLNDYKXEGHUMSI-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332774 780947368 /nfs/dbraw/zinc/94/73/68/780947368.db2.gz LZVYJKVLRJTBRG-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332775 780947924 /nfs/dbraw/zinc/94/79/24/780947924.db2.gz LZVYJKVLRJTBRG-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCCC(F)(F)CC2)cc1 ZINC000702826440 780957184 /nfs/dbraw/zinc/95/71/84/780957184.db2.gz BIJCDNOIYNJPSB-CQSZACIVSA-N 0 3 280.318 2.713 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034388562 780964157 /nfs/dbraw/zinc/96/41/57/780964157.db2.gz HGIWEVCEHLLPRC-RBSFLKMASA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034478902 780981137 /nfs/dbraw/zinc/98/11/37/780981137.db2.gz PWUAJZGKFXDNBV-HNNXBMFYSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)/C=C(/C)CC)C2 ZINC001278336031 781125935 /nfs/dbraw/zinc/12/59/35/781125935.db2.gz OBQZENQRJVLDJT-ZUTYSQTGSA-N 0 3 288.435 2.681 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1C=CCC1)CC2 ZINC001035648435 781151615 /nfs/dbraw/zinc/15/16/15/781151615.db2.gz JMHARXOVHRQOBK-INIZCTEOSA-N 0 3 288.435 2.843 20 30 CFEDHN CC(C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001035932884 781191242 /nfs/dbraw/zinc/19/12/42/781191242.db2.gz RJEIBJOHFKABQG-RHSMWYFYSA-N 0 3 299.418 2.541 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707919388 781259194 /nfs/dbraw/zinc/25/91/94/781259194.db2.gz VJCIDNVJCYKTIQ-RQJABVFESA-N 0 3 293.411 2.524 20 30 CFEDHN C=C(Cl)CNC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711485628 781445149 /nfs/dbraw/zinc/44/51/49/781445149.db2.gz SHZMGQIOCQBTAR-PHIMTYICSA-N 0 3 274.792 2.632 20 30 CFEDHN C#CCNC1(CNC(=O)c2ccccc2C2CCC2)CCC1 ZINC001273186656 781490549 /nfs/dbraw/zinc/49/05/49/781490549.db2.gz ODIQRQUMIFWCFK-UHFFFAOYSA-N 0 3 296.414 2.829 20 30 CFEDHN N#Cc1cc(-c2ccc3c(c2)[C@H]([NH3+])CC3)ccc1[O-] ZINC001242566220 781606301 /nfs/dbraw/zinc/60/63/01/781606301.db2.gz NVLLKPGPIFORMO-OAHLLOKOSA-N 0 3 250.301 2.877 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080202907 781641255 /nfs/dbraw/zinc/64/12/55/781641255.db2.gz WSGLSUIUUJWCIY-UKRRQHHQSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001080618711 781671109 /nfs/dbraw/zinc/67/11/09/781671109.db2.gz PZWQTVJOCIKTET-BXUZGUMPSA-N 0 3 278.421 2.683 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001080796846 781678973 /nfs/dbraw/zinc/67/89/73/781678973.db2.gz UKUTXRMVDCAXOR-HLLBOEOZSA-N 0 3 286.419 2.803 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001080878334 781682644 /nfs/dbraw/zinc/68/26/44/781682644.db2.gz NDOFHFRKHQSKDH-IAQYHMDHSA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001080879493 781683238 /nfs/dbraw/zinc/68/32/38/781683238.db2.gz NYFZGWLSQOSEGE-RHSMWYFYSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001080884429 781684179 /nfs/dbraw/zinc/68/41/79/781684179.db2.gz ZYYXXCKTYUCOFU-NVXWUHKLSA-N 0 3 286.419 2.930 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001081009170 781689118 /nfs/dbraw/zinc/68/91/18/781689118.db2.gz WDWRWAYXQQILFJ-CXAGYDPISA-N 0 3 297.402 2.712 20 30 CFEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001081032416 781693534 /nfs/dbraw/zinc/69/35/34/781693534.db2.gz SREYTVRCMXXMTN-GHMZBOCLSA-N 0 3 282.384 2.513 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001081085584 781700384 /nfs/dbraw/zinc/70/03/84/781700384.db2.gz FUYCTVXQLQFFBF-DLBZAZTESA-N 0 3 298.430 2.640 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@H]2CCCC[C@H]2C)CCC1 ZINC001273208121 781749857 /nfs/dbraw/zinc/74/98/57/781749857.db2.gz JMHPIGRBCCMZDB-HZPDHXFCSA-N 0 3 290.451 2.855 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001084323231 781788180 /nfs/dbraw/zinc/78/81/80/781788180.db2.gz JFTSRIUOJXILKW-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC ZINC001098911275 781824734 /nfs/dbraw/zinc/82/47/34/781824734.db2.gz RSSJDEBGSSZQAW-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@](C)(C=C)CC)C[C@@H]21 ZINC001085024043 781882477 /nfs/dbraw/zinc/88/24/77/781882477.db2.gz QCHCHWGLHCPMGP-HLLBOEOZSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@@H]21 ZINC001085038119 781885886 /nfs/dbraw/zinc/88/58/86/781885886.db2.gz XAZGJBWFKBTMJX-VQHPVUNQSA-N 0 3 290.451 2.777 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CCN1CCCCC ZINC001231062676 781899968 /nfs/dbraw/zinc/89/99/68/781899968.db2.gz RZGRIFQFOMIEFZ-CVEARBPZSA-N 0 3 296.455 2.691 20 30 CFEDHN Cc1cc(C#N)cc(N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000594602621 349458823 /nfs/dbraw/zinc/45/88/23/349458823.db2.gz RENSNGYBSBCITN-LSDHHAIUSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1c(N[C@H]2CCCN3CCCC[C@@H]23)nc2ccccn12 ZINC000594603292 349459079 /nfs/dbraw/zinc/45/90/79/349459079.db2.gz SYZHXSXQSKOZSC-KBPBESRZSA-N 0 3 295.390 2.635 20 30 CFEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CCCCO1 ZINC000594612496 349463309 /nfs/dbraw/zinc/46/33/09/349463309.db2.gz SWZRDKSVOMMKNG-JKSUJKDBSA-N 0 3 298.390 2.643 20 30 CFEDHN C[C@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000594719866 349480033 /nfs/dbraw/zinc/48/00/33/349480033.db2.gz FYDIBACBIZIIJY-GXFFZTMASA-N 0 3 266.291 2.633 20 30 CFEDHN Cn1cc(CCNC[C@H](C#N)CCC#N)c2ccccc21 ZINC000594726539 349481000 /nfs/dbraw/zinc/48/10/00/349481000.db2.gz MLTPOCUBWHYSDM-AWEZNQCLSA-N 0 3 280.375 2.754 20 30 CFEDHN N#CC1(c2ccc(CNC[C@H]3CCCCO3)cc2)CC1 ZINC000594919053 349506989 /nfs/dbraw/zinc/50/69/89/349506989.db2.gz VZTNFVYTKNJRBG-MRXNPFEDSA-N 0 3 270.376 2.900 20 30 CFEDHN Cc1cc(CNCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000594921186 349508386 /nfs/dbraw/zinc/50/83/86/349508386.db2.gz JNARWVODXXNGBZ-UHFFFAOYSA-N 0 3 266.348 2.563 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](c2nccn2C)C2CC2)CC1 ZINC000127667103 187325011 /nfs/dbraw/zinc/32/50/11/187325011.db2.gz KBWSGZJSCVOTOF-INIZCTEOSA-N 0 3 288.439 2.501 20 30 CFEDHN CC[C@@H]1C[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CO1 ZINC000594936593 349518174 /nfs/dbraw/zinc/51/81/74/349518174.db2.gz FKVDCIXUKUYKEQ-IIAWOOMASA-N 0 3 256.349 2.703 20 30 CFEDHN CC[C@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000594941547 349520645 /nfs/dbraw/zinc/52/06/45/349520645.db2.gz VLQOZRYVPXQYCG-STQMWFEESA-N 0 3 264.756 2.869 20 30 CFEDHN CO[C@H](CNCc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594943467 349521987 /nfs/dbraw/zinc/52/19/87/349521987.db2.gz JCYQIMRPLVTDRM-MRXNPFEDSA-N 0 3 270.376 2.756 20 30 CFEDHN C=CCOCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594944640 349522361 /nfs/dbraw/zinc/52/23/61/349522361.db2.gz UMAJCKJFEGMKHD-UHFFFAOYSA-N 0 3 256.349 2.534 20 30 CFEDHN CC(C)(C)c1n[nH]cc1CNCCc1ccc(C#N)cc1 ZINC000594954154 349527029 /nfs/dbraw/zinc/52/70/29/349527029.db2.gz CKULNHRZKAOELC-UHFFFAOYSA-N 0 3 282.391 2.911 20 30 CFEDHN COC[C@H](C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000594950426 349525433 /nfs/dbraw/zinc/52/54/33/349525433.db2.gz KVUSCUROIYJNQA-CWRNSKLLSA-N 0 3 288.391 2.882 20 30 CFEDHN N#CC1(c2ccc(CNC3(CF)CCOCC3)cc2)CC1 ZINC000594956987 349529522 /nfs/dbraw/zinc/52/95/22/349529522.db2.gz MEKJRJIYZQWYKL-UHFFFAOYSA-N 0 3 288.366 2.850 20 30 CFEDHN C=CCCSCCNCc1ccc2c(c1)OCCO2 ZINC000594960010 349530447 /nfs/dbraw/zinc/53/04/47/349530447.db2.gz HYLRYXHAWJNPQQ-UHFFFAOYSA-N 0 3 279.405 2.857 20 30 CFEDHN C=CCCSCCNCc1c(C)nn(CC)c1C ZINC000594960137 349530684 /nfs/dbraw/zinc/53/06/84/349530684.db2.gz KSULOTZNISWZPV-UHFFFAOYSA-N 0 3 267.442 2.919 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNCc1ccc(C#N)s1 ZINC000594961826 349531099 /nfs/dbraw/zinc/53/10/99/349531099.db2.gz JJIMDQMANCLXRR-LLVKDONJSA-N 0 3 263.410 2.582 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNCc1ccc(C#N)s1 ZINC000594961827 349531315 /nfs/dbraw/zinc/53/13/15/349531315.db2.gz JJIMDQMANCLXRR-NSHDSACASA-N 0 3 263.410 2.582 20 30 CFEDHN C[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)o1 ZINC000594970665 349535667 /nfs/dbraw/zinc/53/56/67/349535667.db2.gz JXGSILHCXPPCIZ-MEDUHNTESA-N 0 3 252.317 2.969 20 30 CFEDHN C=CCCSCCNCc1ccnn1CCC ZINC000594966276 349533470 /nfs/dbraw/zinc/53/34/70/349533470.db2.gz FFRITMBKTAKLRG-UHFFFAOYSA-N 0 3 253.415 2.692 20 30 CFEDHN N#Cc1ccc(CN[C@H]2COc3cc(F)ccc3C2)s1 ZINC000594978637 349536538 /nfs/dbraw/zinc/53/65/38/349536538.db2.gz UGTSPWHWWHMVHM-GFCCVEGCSA-N 0 3 288.347 2.852 20 30 CFEDHN CC(C)(C)OCCCNCc1ccc(C#N)cc1F ZINC000594974422 349536548 /nfs/dbraw/zinc/53/65/48/349536548.db2.gz KLCXWDIHXRSSEH-UHFFFAOYSA-N 0 3 264.344 2.992 20 30 CFEDHN C[C@H]1C[C@H](NCC2(C#N)CCCCC2)CN1C1CC1 ZINC000594981462 349538158 /nfs/dbraw/zinc/53/81/58/349538158.db2.gz QRPLSAXPQUGAAM-KBPBESRZSA-N 0 3 261.413 2.675 20 30 CFEDHN COc1ccc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594970190 349535974 /nfs/dbraw/zinc/53/59/74/349535974.db2.gz VDNMIEMNJFCJHJ-UHFFFAOYSA-N 0 3 281.359 2.987 20 30 CFEDHN CC1(C)[C@H](CNCc2ccc(C#N)cc2)C1(F)F ZINC000594991899 349541464 /nfs/dbraw/zinc/54/14/64/349541464.db2.gz MWHGYFKZXNWCMN-LBPRGKRZSA-N 0 3 250.292 2.939 20 30 CFEDHN CO[C@@]1(C)C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000594993505 349541471 /nfs/dbraw/zinc/54/14/71/349541471.db2.gz ATGWKFAWJNNWSR-OLZOCXBDSA-N 0 3 284.281 2.844 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccc(C(F)F)nc1 ZINC000595021413 349553029 /nfs/dbraw/zinc/55/30/29/349553029.db2.gz XLOVJYWVICJIIT-NSHDSACASA-N 0 3 294.349 2.658 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cc(C#N)cs1 ZINC000595000686 349543215 /nfs/dbraw/zinc/54/32/15/349543215.db2.gz MAZQNZQTKBGFKX-LRDDRELGSA-N 0 3 286.400 2.874 20 30 CFEDHN CC1(C)C[C@@H](N[C@H]2CCc3ccc(C#N)cc32)CO1 ZINC000595049815 349564909 /nfs/dbraw/zinc/56/49/09/349564909.db2.gz PAMVFMASHXGUSO-HIFRSBDPSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@H]1C[C@H](NCCc2ccc(C#N)cc2)c2nccn21 ZINC000595055203 349566387 /nfs/dbraw/zinc/56/63/87/349566387.db2.gz APORFIRCFASIHP-WFASDCNBSA-N 0 3 266.348 2.593 20 30 CFEDHN CCn1ccnc1[C@@H](C)NCCc1ccc(C#N)cc1 ZINC000595055246 349566563 /nfs/dbraw/zinc/56/65/63/349566563.db2.gz BPUIOGXVJPIHFN-CYBMUJFWSA-N 0 3 268.364 2.668 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C1(CO)CC1 ZINC000595069970 349573226 /nfs/dbraw/zinc/57/32/26/349573226.db2.gz UGEBQYSVKBEGMW-WDEREUQCSA-N 0 3 262.328 2.509 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cccnc2N2CCCC2)C1 ZINC000595074063 349575019 /nfs/dbraw/zinc/57/50/19/349575019.db2.gz SUMLBLCGSRFECN-HOCLYGCPSA-N 0 3 284.407 2.854 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1cccc(C#N)c1 ZINC000595091041 349578713 /nfs/dbraw/zinc/57/87/13/349578713.db2.gz RESNAGWZYKLQNS-TUKIKUTGSA-N 0 3 256.349 2.512 20 30 CFEDHN CC[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)cc1 ZINC000595092764 349579673 /nfs/dbraw/zinc/57/96/73/349579673.db2.gz WKFORJNNBAXRNN-HRCADAONSA-N 0 3 270.376 2.902 20 30 CFEDHN C=CCCSCCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000595235427 349586695 /nfs/dbraw/zinc/58/66/95/349586695.db2.gz FQBWWQCWUVSCMN-UHFFFAOYSA-N 0 3 293.436 2.885 20 30 CFEDHN CC1(C)CCN(C(=O)[C@@H](N)CCCC#N)CC(C)(C)C1 ZINC000595256884 349588473 /nfs/dbraw/zinc/58/84/73/349588473.db2.gz XADHIKAWCIKJNN-ZDUSSCGKSA-N 0 3 279.428 2.682 20 30 CFEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000068134539 346837391 /nfs/dbraw/zinc/83/73/91/346837391.db2.gz CGKYKVSUBCZXJI-QGZVFWFLSA-N 0 3 297.402 2.649 20 30 CFEDHN CCC(CC)CCCN(C)C(=O)[C@@H](N)CCCC#N ZINC000595260122 349589047 /nfs/dbraw/zinc/58/90/47/349589047.db2.gz VMYUDKICFYYWFU-AWEZNQCLSA-N 0 3 267.417 2.682 20 30 CFEDHN C[C@H](N[C@@H](C)C1(CO)CC1)c1ccc(C#N)cc1F ZINC000595071011 349574075 /nfs/dbraw/zinc/57/40/75/349574075.db2.gz XCQKQSHSKBFKON-QWRGUYRKSA-N 0 3 262.328 2.509 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000595310511 349599387 /nfs/dbraw/zinc/59/93/87/349599387.db2.gz DEUNBFCULRVSEG-DLBZAZTESA-N 0 3 269.392 2.811 20 30 CFEDHN CC(C)CNC(=O)CCCN(C)Cc1cccc(C#N)c1 ZINC000595288260 349591269 /nfs/dbraw/zinc/59/12/69/349591269.db2.gz MLYCOILQJMARDW-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN N#Cc1ccnc(N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)c1 ZINC000595291698 349592079 /nfs/dbraw/zinc/59/20/79/349592079.db2.gz SSJUKNGCHZYVHX-IXDOHACOSA-N 0 3 296.418 2.511 20 30 CFEDHN CC(C)[C@@H]1CN([C@H](C#N)c2ccccc2)CCN1C ZINC000595461801 349634706 /nfs/dbraw/zinc/63/47/06/349634706.db2.gz NXIOLTPSCOUSIB-CVEARBPZSA-N 0 3 257.381 2.523 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C1(CO)CC1 ZINC000595485272 349639997 /nfs/dbraw/zinc/63/99/97/349639997.db2.gz XFIGYGLGTWRAHQ-UHFFFAOYSA-N 0 3 284.281 2.534 20 30 CFEDHN C=CCCCCN[C@](C)(CC(=O)OC)c1ccncc1 ZINC000595486626 349640138 /nfs/dbraw/zinc/64/01/38/349640138.db2.gz OXOBOLWZEDVGKR-MRXNPFEDSA-N 0 3 276.380 2.806 20 30 CFEDHN CC(C)=CCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595501552 349643306 /nfs/dbraw/zinc/64/33/06/349643306.db2.gz MKRCGGHLXALEPU-OAHLLOKOSA-N 0 3 271.364 2.763 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000330232947 290021803 /nfs/dbraw/zinc/02/18/03/290021803.db2.gz FSLKKXLBLGOXQE-PKCACUDHSA-N 0 3 282.428 2.923 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCO[C@H]1CC1(F)F ZINC000595548089 349656603 /nfs/dbraw/zinc/65/66/03/349656603.db2.gz ACNWRDDEBSZGQM-FZMZJTMJSA-N 0 3 280.318 2.975 20 30 CFEDHN N#CC1(CCN(CCOCCO)C2CCC2)CCCCC1 ZINC000595595787 349669163 /nfs/dbraw/zinc/66/91/63/349669163.db2.gz NEZLVWSKIMPCSV-UHFFFAOYSA-N 0 3 294.439 2.714 20 30 CFEDHN N#CC[C@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000595612419 349675631 /nfs/dbraw/zinc/67/56/31/349675631.db2.gz WNSWTMOSCUCBDE-CYBMUJFWSA-N 0 3 262.328 2.830 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000595618359 349678137 /nfs/dbraw/zinc/67/81/37/349678137.db2.gz XNALYHXOQCLGNU-AWEZNQCLSA-N 0 3 298.308 2.828 20 30 CFEDHN CC[C@@H](C)CN1CCN(c2ccsc2C#N)CC1 ZINC000595630357 349684188 /nfs/dbraw/zinc/68/41/88/349684188.db2.gz VLZJLUMREXAJPO-GFCCVEGCSA-N 0 3 263.410 2.788 20 30 CFEDHN CCCCNC(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000595637519 349684541 /nfs/dbraw/zinc/68/45/41/349684541.db2.gz ZQJIILKOFLTSAU-UHFFFAOYSA-N 0 3 287.407 2.689 20 30 CFEDHN C=CCN(Cc1ccc(C#N)c(C)c1)[C@H](C)COC ZINC000595639690 349685561 /nfs/dbraw/zinc/68/55/61/349685561.db2.gz WJJIOSYTQCFGAP-CQSZACIVSA-N 0 3 258.365 2.890 20 30 CFEDHN CCC(C)(C)[C@H](C)NCC(=O)Nc1sccc1C#N ZINC000595639261 349685982 /nfs/dbraw/zinc/68/59/82/349685982.db2.gz REHIDXQGSUAHHW-JTQLQIEISA-N 0 3 279.409 2.973 20 30 CFEDHN CC(C)(C)OC(=O)CCCN1CCC[C@@H](CC#N)C1 ZINC000595621476 349679850 /nfs/dbraw/zinc/67/98/50/349679850.db2.gz VFJGGDDESVANQI-ZDUSSCGKSA-N 0 3 266.385 2.734 20 30 CFEDHN C=CCN(CCCOc1cccc(C#N)c1)[C@H](C)COC ZINC000595647823 349689189 /nfs/dbraw/zinc/68/91/89/349689189.db2.gz QIEHUNMGIPXGAQ-OAHLLOKOSA-N 0 3 288.391 2.850 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000595678203 349698474 /nfs/dbraw/zinc/69/84/74/349698474.db2.gz RJKKONOGQILMOX-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2F)[C@@H]1CCO ZINC000595691418 349703354 /nfs/dbraw/zinc/70/33/54/349703354.db2.gz AVAMZTWTQGKFSQ-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000595671397 349695560 /nfs/dbraw/zinc/69/55/60/349695560.db2.gz FQTFVENHSGIEGL-SWLSCSKDSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595741896 349720688 /nfs/dbraw/zinc/72/06/88/349720688.db2.gz FESOISSHJBESIM-IATRGZMQSA-N 0 3 258.365 2.568 20 30 CFEDHN CCC(CC)CCCN(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000595832766 349746778 /nfs/dbraw/zinc/74/67/78/349746778.db2.gz QJMWTGQHHCOGAC-QGZVFWFLSA-N 0 3 293.455 2.943 20 30 CFEDHN C[C@H](NC[C@@H](C#N)CCC#N)C1CCC(F)CC1 ZINC000595818779 349741414 /nfs/dbraw/zinc/74/14/14/349741414.db2.gz IZXCWOKILNRHBK-MRFVTOPCSA-N 0 3 251.349 2.936 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cn1)C1CCC(F)CC1 ZINC000595819290 349741478 /nfs/dbraw/zinc/74/14/78/349741478.db2.gz NQPFCVWWSBYKBO-LMWSTFAQSA-N 0 3 261.344 2.960 20 30 CFEDHN C[C@H](NC[C@H](C#N)CCC#N)C1CCC(F)CC1 ZINC000595818776 349741575 /nfs/dbraw/zinc/74/15/75/349741575.db2.gz IZXCWOKILNRHBK-FEPKRQSRSA-N 0 3 251.349 2.936 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000595765598 349727324 /nfs/dbraw/zinc/72/73/24/349727324.db2.gz JQUSOWPLUGKPHF-ZDUSSCGKSA-N 0 3 259.309 2.745 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595832948 349747072 /nfs/dbraw/zinc/74/70/72/349747072.db2.gz KNQOPILEKZFKMK-HOCLYGCPSA-N 0 3 291.439 2.507 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C2CCC2)C1 ZINC000595837672 349749232 /nfs/dbraw/zinc/74/92/32/349749232.db2.gz QRWMGMXZPOAIIV-DOTOQJQBSA-N 0 3 291.439 2.553 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(CN2CC[C@](C)(C#N)C2)CC1 ZINC000595843864 349752530 /nfs/dbraw/zinc/75/25/30/349752530.db2.gz OCAYTFZWVLCZMC-QGZVFWFLSA-N 0 3 291.439 2.507 20 30 CFEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H]1CC1(C)C ZINC000595912689 349767523 /nfs/dbraw/zinc/76/75/23/349767523.db2.gz OZGYHCPIZFQASA-AWEZNQCLSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)NC(=O)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000595851900 349755264 /nfs/dbraw/zinc/75/52/64/349755264.db2.gz VKUHCTDIRSTNQI-YOEHRIQHSA-N 0 3 299.418 2.856 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1CC1CCC1 ZINC000595870297 349759025 /nfs/dbraw/zinc/75/90/25/349759025.db2.gz GYSRBHDPZNHOBT-MRXNPFEDSA-N 0 3 291.439 2.793 20 30 CFEDHN CCc1ccc([C@H](CNc2c(C#N)cnn2C)N(C)C)cc1 ZINC000596053349 349782821 /nfs/dbraw/zinc/78/28/21/349782821.db2.gz FFKBJVGSHZFBRQ-INIZCTEOSA-N 0 3 297.406 2.569 20 30 CFEDHN Cc1ccnc(NC(=O)[C@@H](N)CCCCC#N)c1C1CC1 ZINC000595937785 349771028 /nfs/dbraw/zinc/77/10/28/349771028.db2.gz ITJOIMIXLHJPPX-ZDUSSCGKSA-N 0 3 286.379 2.617 20 30 CFEDHN C[C@H](C(=O)NCC1(C#N)CCCCC1)[C@H](N)c1ccccc1 ZINC000595942678 349772184 /nfs/dbraw/zinc/77/21/84/349772184.db2.gz GJUYLWTVLZFWGH-HOCLYGCPSA-N 0 3 299.418 2.913 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H](CC)[C@H](O)C(F)F)cc1 ZINC000295021358 199304675 /nfs/dbraw/zinc/30/46/75/199304675.db2.gz KQZUMECTZDTHKI-GJZGRUSLSA-N 0 3 297.345 2.583 20 30 CFEDHN Cc1nccnc1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000295021908 199304842 /nfs/dbraw/zinc/30/48/42/199304842.db2.gz NUTMJWBRDLUTAL-LLVKDONJSA-N 0 3 284.338 2.689 20 30 CFEDHN C=CCc1cc(CNC[C@H](OC)C(C)C)cc(OC)c1O ZINC000072924532 346949028 /nfs/dbraw/zinc/94/90/28/346949028.db2.gz AFTRKFUHXAXYEJ-INIZCTEOSA-N 0 3 293.407 2.890 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc(C#N)c(Cl)s1 ZINC000596230851 349834179 /nfs/dbraw/zinc/83/41/79/349834179.db2.gz COMSHYGPQCRUBR-NXEZZACHSA-N 0 3 296.827 2.731 20 30 CFEDHN C#CCN(C)CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295066236 199328113 /nfs/dbraw/zinc/32/81/13/199328113.db2.gz ZOJHYDSNAKNNFZ-UHFFFAOYSA-N 0 3 298.346 2.510 20 30 CFEDHN CN1CCC[C@]2(CCN(c3nc(C#N)c(Cl)s3)C2)C1 ZINC000596245433 349838762 /nfs/dbraw/zinc/83/87/62/349838762.db2.gz YUOFCWGBAVNGNS-ZDUSSCGKSA-N 0 3 296.827 2.590 20 30 CFEDHN C=CCOc1cccc(CN(C)C[C@@H]2CCCO2)c1 ZINC000128026467 187347014 /nfs/dbraw/zinc/34/70/14/187347014.db2.gz BUMCMCIXUIDHDZ-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000596308180 349859315 /nfs/dbraw/zinc/85/93/15/349859315.db2.gz GNUFJNCVOFIUQH-LBPRGKRZSA-N 0 3 288.351 2.751 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H]2CCN2C(C)(C)C)n1 ZINC000596308331 349859347 /nfs/dbraw/zinc/85/93/47/349859347.db2.gz RAWJAPRHTNFYSZ-ZDUSSCGKSA-N 0 3 258.369 2.546 20 30 CFEDHN C#CCCOc1ccc(CN(C)C[C@H]2CCCO2)cc1 ZINC000128066834 187349050 /nfs/dbraw/zinc/34/90/50/187349050.db2.gz AZESOOUQDWPXJP-QGZVFWFLSA-N 0 3 273.376 2.700 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596307403 349857814 /nfs/dbraw/zinc/85/78/14/349857814.db2.gz MFQSVEHLSMANTO-ZDUSSCGKSA-N 0 3 288.351 2.751 20 30 CFEDHN Cc1c(Cl)cnc(NC[C@@H]2CCN2C(C)(C)C)c1C#N ZINC000596305853 349858016 /nfs/dbraw/zinc/85/80/16/349858016.db2.gz BDOUFKVMHIKEQQ-NSHDSACASA-N 0 3 292.814 2.622 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000596306484 349858191 /nfs/dbraw/zinc/85/81/91/349858191.db2.gz DUWFNWKMGWOESI-CQSZACIVSA-N 0 3 294.402 2.813 20 30 CFEDHN C=C(C)c1cccc(NC(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000934887498 649848180 /nfs/dbraw/zinc/84/81/80/649848180.db2.gz UNVFEGMZLYSUCL-DOMZBBRYSA-N 0 3 273.380 2.934 20 30 CFEDHN CC(C)N(C)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000075299067 347065848 /nfs/dbraw/zinc/06/58/48/347065848.db2.gz FBFHBHBECQWQAZ-IRXDYDNUSA-N 0 3 299.418 2.625 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)Nc1nc2c(cc1C#N)CCC2 ZINC000596488225 349916975 /nfs/dbraw/zinc/91/69/75/349916975.db2.gz OZJJNSVLLYUYNZ-AWEZNQCLSA-N 0 3 298.434 2.974 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)Nc1ncc2c(c1C#N)CCC2 ZINC000596489502 349917931 /nfs/dbraw/zinc/91/79/31/349917931.db2.gz WGPKBSCRMNNECD-AWEZNQCLSA-N 0 3 298.434 2.974 20 30 CFEDHN CCN(CC)[C@H]1CCN(c2cc(C(C)=O)ccc2C#N)C1 ZINC000273219407 192078563 /nfs/dbraw/zinc/07/85/63/192078563.db2.gz OXJXMEWOVZKKIB-INIZCTEOSA-N 0 3 285.391 2.681 20 30 CFEDHN C=CCOc1cccc(CN[C@H](CC)[C@@H](O)C(F)F)c1 ZINC000295114588 199351472 /nfs/dbraw/zinc/35/14/72/199351472.db2.gz VPSFIGYYCRYPFE-ZIAGYGMSSA-N 0 3 285.334 2.746 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](c3ccnn3C)C2)ccc1C#N ZINC000335205422 539523375 /nfs/dbraw/zinc/52/33/75/539523375.db2.gz MSECJBIAOBEOON-QGZVFWFLSA-N 0 3 294.402 2.980 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccnn2CCCOC)C1 ZINC000668492431 539533536 /nfs/dbraw/zinc/53/35/36/539533536.db2.gz AKVOLKZVXRLSFD-HNNXBMFYSA-N 0 3 277.412 2.708 20 30 CFEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1)N1CCCC[C@H]1C ZINC000032730238 346306933 /nfs/dbraw/zinc/30/69/33/346306933.db2.gz HIDISGRWZGRSGO-KGLIPLIRSA-N 0 3 285.391 2.551 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1F ZINC000041562971 346352643 /nfs/dbraw/zinc/35/26/43/346352643.db2.gz INHBRWAIZOSCOL-LBPRGKRZSA-N 0 3 299.305 2.731 20 30 CFEDHN COc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574233 346353455 /nfs/dbraw/zinc/35/34/55/346353455.db2.gz JBARJJGRSJPBFV-CQSZACIVSA-N 0 3 281.315 2.592 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000044809435 346398774 /nfs/dbraw/zinc/39/87/74/346398774.db2.gz LAFHHUVJAXIKHC-ZBFHGGJFSA-N 0 3 287.407 2.735 20 30 CFEDHN CCN(Cc1cc(C#N)ccc1F)C[C@H]1CCOC1 ZINC000052071783 346511763 /nfs/dbraw/zinc/51/17/63/346511763.db2.gz XPSWAMKSXABOAG-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)c1ccc(F)cc1F ZINC000051092544 346499968 /nfs/dbraw/zinc/49/99/68/346499968.db2.gz SOGRGWUQMCJIMB-AWEZNQCLSA-N 0 3 255.308 2.896 20 30 CFEDHN CCN(CC(=O)NC1(C#N)CCCCC1)C1CCCCC1 ZINC000052873411 346531344 /nfs/dbraw/zinc/53/13/44/346531344.db2.gz AMBWATUEGFHVIO-UHFFFAOYSA-N 0 3 291.439 2.984 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C1CC1)C1CCCC1 ZINC000060562625 346668252 /nfs/dbraw/zinc/66/82/52/346668252.db2.gz YAFKUNHLEDHHCC-UHFFFAOYSA-N 0 3 262.397 2.594 20 30 CFEDHN C#CCN(CCCN1CCCC1=O)[C@@H]1CCc2ccccc21 ZINC000066421753 346760444 /nfs/dbraw/zinc/76/04/44/346760444.db2.gz KCZUKOKCJSJTPO-GOSISDBHSA-N 0 3 296.414 2.622 20 30 CFEDHN CCCN(CC#N)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000065875491 346743520 /nfs/dbraw/zinc/74/35/20/346743520.db2.gz YRFIYVNKHANHMY-UHFFFAOYSA-N 0 3 299.418 2.661 20 30 CFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1CCCC1 ZINC000065931250 346744301 /nfs/dbraw/zinc/74/43/01/346744301.db2.gz URTKWMSDJUPNAY-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc3ncccc3c2)CC1 ZINC000067165888 346794097 /nfs/dbraw/zinc/79/40/97/346794097.db2.gz BBBYKJODJJFUQG-UHFFFAOYSA-N 0 3 293.370 2.519 20 30 CFEDHN C[C@H](COCC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000067503816 346806231 /nfs/dbraw/zinc/80/62/31/346806231.db2.gz IBJFOLHNZWEVIO-SNVBAGLBSA-N 0 3 272.270 2.615 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000076485698 347141052 /nfs/dbraw/zinc/14/10/52/347141052.db2.gz RZAGVIFSGUPWSH-UHFFFAOYSA-N 0 3 288.395 2.610 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077506266 347196815 /nfs/dbraw/zinc/19/68/15/347196815.db2.gz WRJUPFYLJBEEAS-UHFFFAOYSA-N 0 3 297.314 2.635 20 30 CFEDHN C[C@@H](CNc1ncccc1C#N)N1CCCC[C@@H]1C ZINC000079901286 347331299 /nfs/dbraw/zinc/33/12/99/347331299.db2.gz BEFYNRNXEADFAG-STQMWFEESA-N 0 3 258.369 2.628 20 30 CFEDHN CC(C)(C#N)C(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000080818221 347383254 /nfs/dbraw/zinc/38/32/54/347383254.db2.gz BMYUMCBZBVEIOW-UHFFFAOYSA-N 0 3 297.402 2.721 20 30 CFEDHN C#CCCN1CCN(c2cc(C)nc3ccccc32)CC1 ZINC000091480365 347589220 /nfs/dbraw/zinc/58/92/20/347589220.db2.gz USBIIVIEBMKWMO-UHFFFAOYSA-N 0 3 279.387 2.689 20 30 CFEDHN C#CCOc1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000092618025 347635151 /nfs/dbraw/zinc/63/51/51/347635151.db2.gz YSFIIXGRTFBWFG-UHFFFAOYSA-N 0 3 295.386 2.732 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1sc(CCOC)nc1C ZINC000092767488 347646747 /nfs/dbraw/zinc/64/67/47/347646747.db2.gz SWRVKZCRDSKYKZ-VHSXEESVSA-N 0 3 254.399 2.866 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](CC)C2)CC1 ZINC000106275150 347730895 /nfs/dbraw/zinc/73/08/95/347730895.db2.gz NXZJPCFIGUXBEU-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CC)COC)cc1OC ZINC000120198466 347806039 /nfs/dbraw/zinc/80/60/39/347806039.db2.gz UFYVBVNEEGQRMP-AWEZNQCLSA-N 0 3 279.380 2.775 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000125742320 347828731 /nfs/dbraw/zinc/82/87/31/347828731.db2.gz VNJBFYITKPWEEQ-CABCVRRESA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(C)COCCNCc1ccc(-n2ccnc2)cc1 ZINC000125819210 347829657 /nfs/dbraw/zinc/82/96/57/347829657.db2.gz RQHVLFFNEGLAHB-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=CCCN1CCN(c2ccccc2OCC)CC1 ZINC000132317858 347883670 /nfs/dbraw/zinc/88/36/70/347883670.db2.gz MZMQHVSBRXNCAN-UHFFFAOYSA-N 0 3 260.381 2.783 20 30 CFEDHN C=C(Br)CN[C@H]1CCOC2(CCC2)C1 ZINC000168282005 348048055 /nfs/dbraw/zinc/04/80/55/348048055.db2.gz PKPILMILYAISHM-JTQLQIEISA-N 0 3 260.175 2.586 20 30 CFEDHN C=CC1CCN([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000171953240 348084455 /nfs/dbraw/zinc/08/44/55/348084455.db2.gz ROKDPCODODLVEI-MRXNPFEDSA-N 0 3 272.392 2.714 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H]1CCc2c(cccc2OC)C1 ZINC000190526303 348135547 /nfs/dbraw/zinc/13/55/47/348135547.db2.gz KYFBTTJDFWWRIJ-UONOGXRCSA-N 0 3 258.365 2.834 20 30 CFEDHN C=CCCCCCN1CCN(CC2CCOCC2)CC1 ZINC000193352564 348142346 /nfs/dbraw/zinc/14/23/46/348142346.db2.gz VSGNJXBNLNJMNN-UHFFFAOYSA-N 0 3 280.456 2.777 20 30 CFEDHN CC[C@H]1CN(C)CCCN1c1cccc(F)c1C#N ZINC000234159294 348219378 /nfs/dbraw/zinc/21/93/78/348219378.db2.gz XGWJFYXBHCZTRJ-LBPRGKRZSA-N 0 3 261.344 2.618 20 30 CFEDHN COc1cc(CNCC2(O)CCC(C)CC2)ccc1C#N ZINC000234905428 348222941 /nfs/dbraw/zinc/22/29/41/348222941.db2.gz FYBVDIOZFYJBQP-UHFFFAOYSA-N 0 3 288.391 2.598 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H]3COC[C@]3(C)C2)c1 ZINC000668596242 539606973 /nfs/dbraw/zinc/60/69/73/539606973.db2.gz ZSHVEWODDBWOKU-RDJZCZTQSA-N 0 3 273.376 2.720 20 30 CFEDHN CC[C@H](NCc1cncn1C)c1ccc(C#N)cc1 ZINC000289664193 348350257 /nfs/dbraw/zinc/35/02/57/348350257.db2.gz GVPNRAJGOSYLQQ-HNNXBMFYSA-N 0 3 254.337 2.533 20 30 CFEDHN Cc1cccc(CCNCc2ccc(C#N)cc2F)n1 ZINC000280500650 348340775 /nfs/dbraw/zinc/34/07/75/348340775.db2.gz GADAVDCZWUFBNZ-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN C[C@H](NCCCC#N)c1ccnn1-c1ccccc1 ZINC000281575451 348343062 /nfs/dbraw/zinc/34/30/62/348343062.db2.gz KTHSHYFXBZTYSH-ZDUSSCGKSA-N 0 3 254.337 2.827 20 30 CFEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285537430 348345803 /nfs/dbraw/zinc/34/58/03/348345803.db2.gz FSSKCYSEECTCJI-DOTOQJQBSA-N 0 3 299.418 2.832 20 30 CFEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1F)Cc1ccccc1 ZINC000413028591 233006008 /nfs/dbraw/zinc/00/60/08/233006008.db2.gz PQTCGRXJPHPIOI-OAHLLOKOSA-N 0 3 298.365 2.677 20 30 CFEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccn1 ZINC000319290605 348433972 /nfs/dbraw/zinc/43/39/72/348433972.db2.gz NLRFUHILVQSATA-KZNAEPCWSA-N 0 3 299.418 2.859 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(C)cc1OC ZINC000320449955 348436825 /nfs/dbraw/zinc/43/68/25/348436825.db2.gz XRJBTYRRAUTKBR-KBPBESRZSA-N 0 3 263.381 2.981 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320802953 348437696 /nfs/dbraw/zinc/43/76/96/348437696.db2.gz VZPARPUFMGFXJQ-YPMHNXCESA-N 0 3 264.325 2.573 20 30 CFEDHN C=C(CC)CNCc1ccc(C(=O)OC)c(F)c1 ZINC000313481067 348423298 /nfs/dbraw/zinc/42/32/98/348423298.db2.gz JRSZZUYJROBYEY-UHFFFAOYSA-N 0 3 251.301 2.668 20 30 CFEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000314639200 348426976 /nfs/dbraw/zinc/42/69/76/348426976.db2.gz ZUIZTROLVRZGGN-RHSMWYFYSA-N 0 3 296.370 2.649 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357047280 348504305 /nfs/dbraw/zinc/50/43/05/348504305.db2.gz VHEKEOYHRVRRJZ-LSDHHAIUSA-N 0 3 291.439 2.507 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@H](N3CCCC3)C2)CCCCC1 ZINC000365001533 348511032 /nfs/dbraw/zinc/51/10/32/348511032.db2.gz MWSAIUKSCIWGPW-INIZCTEOSA-N 0 3 288.435 2.657 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379708877 348521882 /nfs/dbraw/zinc/52/18/82/348521882.db2.gz GZYKWUWABUHRMK-IAGOWNOFSA-N 0 3 299.418 2.707 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000383075289 348530742 /nfs/dbraw/zinc/53/07/42/348530742.db2.gz VEDGRQWOHIGYPU-DOTOQJQBSA-N 0 3 299.418 2.659 20 30 CFEDHN CC[C@@H](C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000386662607 348536084 /nfs/dbraw/zinc/53/60/84/348536084.db2.gz MQZPUMHJODYTPO-INIZCTEOSA-N 0 3 299.418 2.707 20 30 CFEDHN CCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCOC1 ZINC000402601584 348582290 /nfs/dbraw/zinc/58/22/90/348582290.db2.gz RIUWQTLVYHLZGX-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN CC(C)O[C@@H]1CCCN(CCOc2ccccc2C#N)C1 ZINC000404693809 348593750 /nfs/dbraw/zinc/59/37/50/348593750.db2.gz KLXCZPXQCYOWHN-MRXNPFEDSA-N 0 3 288.391 2.826 20 30 CFEDHN CC(C)O[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000404693822 348594111 /nfs/dbraw/zinc/59/41/11/348594111.db2.gz KMOMCHIJNHWDDH-QGZVFWFLSA-N 0 3 288.391 2.826 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398035312 348566658 /nfs/dbraw/zinc/56/66/58/348566658.db2.gz SKRDIOBAVMCXFD-SJLPKXTDSA-N 0 3 299.418 2.707 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CC3CCC2CC3)n1 ZINC000400076868 348571453 /nfs/dbraw/zinc/57/14/53/348571453.db2.gz OUVWJVBRJJQZSL-HTAVTVPLSA-N 0 3 261.394 2.931 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426771332 348613896 /nfs/dbraw/zinc/61/38/96/348613896.db2.gz AZOOFVAQFREFJJ-HNNXBMFYSA-N 0 3 264.413 2.818 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCCC(C)(C)C1 ZINC000446066239 348618218 /nfs/dbraw/zinc/61/82/18/348618218.db2.gz JRHCXQQCMKOSGD-YOEHRIQHSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc2c(c1C#N)CCC2 ZINC000584835306 348720937 /nfs/dbraw/zinc/72/09/37/348720937.db2.gz TTYNINUWJJBOEE-UONOGXRCSA-N 0 3 298.434 2.974 20 30 CFEDHN N#CCCCNC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000580306373 348673152 /nfs/dbraw/zinc/67/31/52/348673152.db2.gz NWINZTVUNWGPPD-LBPRGKRZSA-N 0 3 286.297 2.502 20 30 CFEDHN N#Cc1c(C(F)F)cccc1N1CC[C@H](N2CC=CC2)C1 ZINC000584731638 348711162 /nfs/dbraw/zinc/71/11/62/348711162.db2.gz ZXBJBKUWLJTZEN-LBPRGKRZSA-N 0 3 289.329 2.946 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCCCCC#N ZINC000588351860 348784904 /nfs/dbraw/zinc/78/49/04/348784904.db2.gz FYTIBAREGDUXRZ-GASCZTMLSA-N 0 3 279.428 2.840 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)CCCCCC#N)C1 ZINC000588722200 348792633 /nfs/dbraw/zinc/79/26/33/348792633.db2.gz JWBVOZRDMQPMEM-UHFFFAOYSA-N 0 3 279.428 2.699 20 30 CFEDHN N#CCCCCCC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000588722308 348793718 /nfs/dbraw/zinc/79/37/18/348793718.db2.gz VJYXTYOWPVWFEX-HNNXBMFYSA-N 0 3 277.412 2.594 20 30 CFEDHN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000585726664 348740298 /nfs/dbraw/zinc/74/02/98/348740298.db2.gz YYGOSOVCGGOJCF-BMIGLBTASA-N 0 3 252.321 2.619 20 30 CFEDHN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000585726667 348740802 /nfs/dbraw/zinc/74/08/02/348740802.db2.gz YYGOSOVCGGOJCF-ZUZCIYMTSA-N 0 3 252.321 2.619 20 30 CFEDHN CCC#C[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000586773221 348750531 /nfs/dbraw/zinc/75/05/31/348750531.db2.gz FOLQYSZUNBMKOZ-ZDUSSCGKSA-N 0 3 260.337 2.871 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C1CCC(CO)CC1 ZINC000589206185 348819576 /nfs/dbraw/zinc/81/95/76/348819576.db2.gz MCUPHVUHBQARMI-UHFFFAOYSA-N 0 3 264.394 2.603 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccccc1CO)CC2 ZINC000589337914 348828334 /nfs/dbraw/zinc/82/83/34/348828334.db2.gz GAQMMESZZZDKKB-SFHVURJKSA-N 0 3 278.355 2.828 20 30 CFEDHN COCC1(CN2CCC(C#N)(c3ccccn3)CC2)CCC1 ZINC000589743021 348854787 /nfs/dbraw/zinc/85/47/87/348854787.db2.gz ZZEHVTBKPVBFFI-UHFFFAOYSA-N 0 3 299.418 2.755 20 30 CFEDHN CC(C)[C@H](NCc1cc(C#N)cs1)[C@H](O)C(F)(F)F ZINC000589820452 348858813 /nfs/dbraw/zinc/85/88/13/348858813.db2.gz ABFNVTIGXVRMNL-QWRGUYRKSA-N 0 3 292.326 2.657 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](CCO)C2)cc1 ZINC000093105717 539684832 /nfs/dbraw/zinc/68/48/32/539684832.db2.gz HJLOVQGSSTZXQJ-OAHLLOKOSA-N 0 3 275.392 2.846 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)c2cscc2C#N)cc1 ZINC000590099562 348873943 /nfs/dbraw/zinc/87/39/43/348873943.db2.gz KIIKRYKTSYSYOX-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN CN(C)CCN(CC1CCCCC1)C(=O)CC1(C#N)CC1 ZINC000590174962 348882899 /nfs/dbraw/zinc/88/28/99/348882899.db2.gz WALIMGNTWKFJPT-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000590751860 348941861 /nfs/dbraw/zinc/94/18/61/348941861.db2.gz JCWKFSYIMPXRNU-HIFRSBDPSA-N 0 3 291.778 2.623 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757618 348943917 /nfs/dbraw/zinc/94/39/17/348943917.db2.gz NTWHPJIRESJZTP-HOCLYGCPSA-N 0 3 290.363 2.711 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNC(=O)CC1(C#N)CC1)c1ccco1 ZINC000590759003 348944007 /nfs/dbraw/zinc/94/40/07/348944007.db2.gz VRXSFUJNLKPRCX-OLZOCXBDSA-N 0 3 289.379 2.519 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000590762783 348945043 /nfs/dbraw/zinc/94/50/43/348945043.db2.gz YRPLDMGYTGTMSW-ZIAGYGMSSA-N 0 3 298.308 2.612 20 30 CFEDHN C[C@@H]1C[C@@H](NCCc2cccc(C#N)c2)c2nccn21 ZINC000590778641 348948094 /nfs/dbraw/zinc/94/80/94/348948094.db2.gz XRBWDUTUBXPZJI-IUODEOHRSA-N 0 3 266.348 2.593 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)CC#CCOC)C12CCCCC2 ZINC000677480909 539691172 /nfs/dbraw/zinc/69/11/72/539691172.db2.gz XHBVJRUADTXOMQ-JKSUJKDBSA-N 0 3 279.424 2.696 20 30 CFEDHN COc1cc(CN[C@H](C)[C@H]2CC2(F)F)ccc1C#N ZINC000591266047 349005474 /nfs/dbraw/zinc/00/54/74/349005474.db2.gz RZXFGVYCJHHUKN-BXKDBHETSA-N 0 3 266.291 2.700 20 30 CFEDHN CC[C@H](C(=O)N1CCc2cc(C#N)ccc21)N(CC)CC ZINC000591312348 349007931 /nfs/dbraw/zinc/00/79/31/349007931.db2.gz KVISJOWOXUSCED-OAHLLOKOSA-N 0 3 285.391 2.568 20 30 CFEDHN CC(C)OCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000273484212 192169927 /nfs/dbraw/zinc/16/99/27/192169927.db2.gz VEEBNGRQAMNSEE-NSHDSACASA-N 0 3 250.317 2.773 20 30 CFEDHN CC1(C)C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CO1 ZINC000591356892 349011698 /nfs/dbraw/zinc/01/16/98/349011698.db2.gz IPDLECOJVJLWQN-DZGCQCFKSA-N 0 3 256.349 2.703 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](O)CC12CCC2 ZINC000591480129 349026269 /nfs/dbraw/zinc/02/62/69/349026269.db2.gz RSPAQFIHYLLAIE-MRXNPFEDSA-N 0 3 270.376 2.746 20 30 CFEDHN C=CCN1CCC(NC(=O)CCc2ccccc2F)CC1 ZINC000592070447 349078805 /nfs/dbraw/zinc/07/88/05/349078805.db2.gz QSUSNMUACGEAJD-UHFFFAOYSA-N 0 3 290.382 2.525 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2cccc3ccccc32)C1 ZINC000592148398 349091293 /nfs/dbraw/zinc/09/12/93/349091293.db2.gz UWDGABOGAXBXLI-QGZVFWFLSA-N 0 3 266.344 2.690 20 30 CFEDHN N#CC[C@]1(O)CCN(CCCSCc2ccccc2)C1 ZINC000592150824 349091587 /nfs/dbraw/zinc/09/15/87/349091587.db2.gz HITZCSCUEHTNPG-INIZCTEOSA-N 0 3 290.432 2.660 20 30 CFEDHN Cc1ccc(C2(NCCC(=O)N(C)CCC#N)CCC2)cc1 ZINC000592189457 349096954 /nfs/dbraw/zinc/09/69/54/349096954.db2.gz VHDAOHCBVBIFIR-UHFFFAOYSA-N 0 3 299.418 2.726 20 30 CFEDHN C[C@@H]1CN(CCCSCC#N)CC2(CCCC2)O1 ZINC000592195073 349098187 /nfs/dbraw/zinc/09/81/87/349098187.db2.gz QIBBAJHNQCEZDD-CYBMUJFWSA-N 0 3 268.426 2.667 20 30 CFEDHN CC(C)CC1(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000592503514 349128853 /nfs/dbraw/zinc/12/88/53/349128853.db2.gz AWHIPABNKJMUAU-UHFFFAOYSA-N 0 3 283.379 2.517 20 30 CFEDHN CCC[C@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000592507635 349129814 /nfs/dbraw/zinc/12/98/14/349129814.db2.gz VPKJKRIWVRYYQI-HNNXBMFYSA-N 0 3 283.379 2.756 20 30 CFEDHN COc1ccc2cc(CN3CC[C@](O)(CC#N)C3)ccc2c1 ZINC000592523372 349133789 /nfs/dbraw/zinc/13/37/89/349133789.db2.gz LFIUUTOMUZHPDX-GOSISDBHSA-N 0 3 296.370 2.699 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@@]2(CC2(F)F)C1 ZINC000593118360 349214554 /nfs/dbraw/zinc/21/45/54/349214554.db2.gz VLEXECAQVCLYBJ-CQSZACIVSA-N 0 3 278.302 2.668 20 30 CFEDHN COc1ccc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)nc1 ZINC000593041460 349192708 /nfs/dbraw/zinc/19/27/08/349192708.db2.gz PNPJMVGQLRBGJG-ZFWWWQNUSA-N 0 3 285.391 2.962 20 30 CFEDHN COc1ccc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)nc1 ZINC000593041458 349192710 /nfs/dbraw/zinc/19/27/10/349192710.db2.gz PNPJMVGQLRBGJG-HIFRSBDPSA-N 0 3 285.391 2.962 20 30 CFEDHN Cc1oc(NC(=O)CNC2(C3CCC3)CC2)c(C#N)c1C ZINC000593079812 349203405 /nfs/dbraw/zinc/20/34/05/349203405.db2.gz GYKYSFQYDBWGIL-UHFFFAOYSA-N 0 3 287.363 2.629 20 30 CFEDHN C=CCSCCNCc1cc(F)c(OC)cc1OC ZINC000593596257 349296823 /nfs/dbraw/zinc/29/68/23/349296823.db2.gz OBKVEWGZKQQSPY-UHFFFAOYSA-N 0 3 285.384 2.852 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593828617 349329871 /nfs/dbraw/zinc/32/98/71/349329871.db2.gz NQCYTOZMIAUTGS-TZMCWYRMSA-N 0 3 274.339 2.909 20 30 CFEDHN C[C@H](C(=O)N1Cc2cccc(C#N)c2C1)N1[C@H](C)CC[C@@H]1C ZINC000593890575 349333500 /nfs/dbraw/zinc/33/35/00/349333500.db2.gz FPFPOGZIMFOXNK-HZSPNIEDSA-N 0 3 297.402 2.662 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3ccco3)C2)nc1 ZINC000593958119 349340161 /nfs/dbraw/zinc/34/01/61/349340161.db2.gz ONVYCDLWZIBMCZ-CYBMUJFWSA-N 0 3 253.305 2.536 20 30 CFEDHN CN(C)CCOc1cccc(NC(=O)CCCCC#N)c1 ZINC000593961840 349340637 /nfs/dbraw/zinc/34/06/37/349340637.db2.gz MRPFBUVXAITJKF-UHFFFAOYSA-N 0 3 289.379 2.649 20 30 CFEDHN N#Cc1ccc(C2(NC[C@@H](O)CC(F)(F)F)CCC2)cc1 ZINC000594033280 349358163 /nfs/dbraw/zinc/35/81/63/349358163.db2.gz MEONINWRGRPOMY-ZDUSSCGKSA-N 0 3 298.308 2.840 20 30 CFEDHN CCC(C)(C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594019908 349354472 /nfs/dbraw/zinc/35/44/72/349354472.db2.gz CLHGJVOWTFYEJL-UHFFFAOYSA-N 0 3 271.408 2.864 20 30 CFEDHN CCC(C)(C)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC000594020637 349355655 /nfs/dbraw/zinc/35/56/55/349355655.db2.gz KDMAZBWFEXFCMF-UHFFFAOYSA-N 0 3 277.437 2.926 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(CO)CCc3ccccc32)s1 ZINC000593652650 349304217 /nfs/dbraw/zinc/30/42/17/349304217.db2.gz JGZYJFUAIJCLDP-KRWDZBQOSA-N 0 3 298.411 2.586 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000593684571 349309635 /nfs/dbraw/zinc/30/96/35/349309635.db2.gz CYZZFDBMLAGNBB-BXUZGUMPSA-N 0 3 293.798 2.609 20 30 CFEDHN CC[C@H](C#N)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000593739638 349318278 /nfs/dbraw/zinc/31/82/78/349318278.db2.gz FRCMWADAKCUSFX-GFCCVEGCSA-N 0 3 259.353 2.545 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H](OC2CCC2)C1 ZINC000594026363 349356690 /nfs/dbraw/zinc/35/66/90/349356690.db2.gz JYHDQNQBANKJHL-AWEZNQCLSA-N 0 3 250.386 2.960 20 30 CFEDHN N#CCCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000594278944 349403649 /nfs/dbraw/zinc/40/36/49/349403649.db2.gz WNHDPBVMEQBYMW-HNNXBMFYSA-N 0 3 277.412 2.547 20 30 CFEDHN C[C@H](O)CN(Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594065118 349367624 /nfs/dbraw/zinc/36/76/24/349367624.db2.gz OMUVJOXLHKUYDU-ZDUSSCGKSA-N 0 3 272.392 2.833 20 30 CFEDHN C[C@@H](O)CN(CCC1(C#N)CCCCC1)C1CC1 ZINC000594065492 349367724 /nfs/dbraw/zinc/36/77/24/349367724.db2.gz QSYPIXBEVLCSSM-CYBMUJFWSA-N 0 3 250.386 2.696 20 30 CFEDHN Cc1cc(C)c2c(c1)N(C(=O)[C@@H](N)CCCCC#N)CCC2 ZINC000594440415 349422451 /nfs/dbraw/zinc/42/24/51/349422451.db2.gz ZCTBNFAIOJKQCB-INIZCTEOSA-N 0 3 299.418 2.994 20 30 CFEDHN CC[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)CCCCC#N ZINC000594438797 349422607 /nfs/dbraw/zinc/42/26/07/349422607.db2.gz XEMGMRODOOGJJO-IAGOWNOFSA-N 0 3 299.418 2.761 20 30 CFEDHN CCc1cccc2c1N(C(=O)[C@H](N)CCCCC#N)CC2 ZINC000594439313 349422852 /nfs/dbraw/zinc/42/28/52/349422852.db2.gz PVXUVDIATJAWBS-OAHLLOKOSA-N 0 3 285.391 2.549 20 30 CFEDHN Cc1ccc2cccc(NC(=O)[C@@H](N)CCCCC#N)c2n1 ZINC000594441646 349422898 /nfs/dbraw/zinc/42/28/98/349422898.db2.gz UDTXBYAYLHBEPX-AWEZNQCLSA-N 0 3 296.374 2.893 20 30 CFEDHN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594438367 349422931 /nfs/dbraw/zinc/42/29/31/349422931.db2.gz UHNKFRYMJZFWIR-KBRIMQKVSA-N 0 3 299.418 2.837 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2ncccc2c1 ZINC000594441878 349423938 /nfs/dbraw/zinc/42/39/38/349423938.db2.gz XNTJFUXIZNSWTP-CQSZACIVSA-N 0 3 282.347 2.585 20 30 CFEDHN CCS[C@@H]1CCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594446754 349424329 /nfs/dbraw/zinc/42/43/29/349424329.db2.gz XGNNVNRMNNRPND-MGPQQGTHSA-N 0 3 297.468 2.578 20 30 CFEDHN CN(C(=O)[C@H](N)CCCCC#N)C1CCC(C)(C)CC1 ZINC000594446110 349424364 /nfs/dbraw/zinc/42/43/64/349424364.db2.gz PYXUGSRDEMXJBT-CQSZACIVSA-N 0 3 279.428 2.825 20 30 CFEDHN CCS[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594446752 349424531 /nfs/dbraw/zinc/42/45/31/349424531.db2.gz XGNNVNRMNNRPND-BFHYXJOUSA-N 0 3 297.468 2.578 20 30 CFEDHN CC(C)CC(C)(C)CNC(=O)[C@@H](N)CCCCC#N ZINC000594445745 349424930 /nfs/dbraw/zinc/42/49/30/349424930.db2.gz LDQXCVRUMCJIRH-ZDUSSCGKSA-N 0 3 267.417 2.586 20 30 CFEDHN Cc1ccccc1C1(NC(=O)[C@@H](N)CCCCC#N)CCC1 ZINC000594452727 349426466 /nfs/dbraw/zinc/42/64/66/349426466.db2.gz IQTGLNCZPHZKIS-INIZCTEOSA-N 0 3 299.418 2.902 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H]1CC2CCC1CC2 ZINC000594454210 349426543 /nfs/dbraw/zinc/42/65/43/349426543.db2.gz UTKHNMVGCFKUNZ-VLSVSDDBSA-N 0 3 291.439 2.729 20 30 CFEDHN C[C@H]1COCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597007267 350015007 /nfs/dbraw/zinc/01/50/07/350015007.db2.gz BNRJSHMOXRVIFF-AWEZNQCLSA-N 0 3 270.376 2.853 20 30 CFEDHN CCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597003458 350015323 /nfs/dbraw/zinc/01/53/23/350015323.db2.gz HKAATELZJUMAAU-HNNXBMFYSA-N 0 3 283.419 2.768 20 30 CFEDHN C=CCCOCCNCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597071323 350023940 /nfs/dbraw/zinc/02/39/40/350023940.db2.gz UHGYNZOZKGZQMH-UHFFFAOYSA-N 0 3 297.782 2.809 20 30 CFEDHN CC[C@@H](CNC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594425541 349416859 /nfs/dbraw/zinc/41/68/59/349416859.db2.gz KSHGYTOXZGTLTG-GOEBONIOSA-N 0 3 287.407 2.708 20 30 CFEDHN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426162 349417664 /nfs/dbraw/zinc/41/76/64/349417664.db2.gz PPMYLDKDJLYNRL-AWEZNQCLSA-N 0 3 293.798 2.710 20 30 CFEDHN CCc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594426100 349417857 /nfs/dbraw/zinc/41/78/57/349417857.db2.gz MYVLSOOHFVHRLG-CQSZACIVSA-N 0 3 259.353 2.599 20 30 CFEDHN CCCN(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594426449 349417907 /nfs/dbraw/zinc/41/79/07/349417907.db2.gz RBCGPDCASGPZMJ-MRXNPFEDSA-N 0 3 287.407 2.836 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000594426374 349418063 /nfs/dbraw/zinc/41/80/63/349418063.db2.gz OUYBREUKPCDDIT-GFCCVEGCSA-N 0 3 283.734 2.829 20 30 CFEDHN CN(Cc1ccccc1Cl)C(=O)[C@@H](N)CCCCC#N ZINC000594428344 349418626 /nfs/dbraw/zinc/41/86/26/349418626.db2.gz YICVELVDZPEEJQ-AWEZNQCLSA-N 0 3 293.798 2.710 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1CCCc2ccccc21 ZINC000594427563 349418667 /nfs/dbraw/zinc/41/86/67/349418667.db2.gz VJOFWWBTEZHBNS-DLBZAZTESA-N 0 3 299.418 2.934 20 30 CFEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594427985 349418842 /nfs/dbraw/zinc/41/88/42/349418842.db2.gz YSOBGOSCYGYANF-GFCCVEGCSA-N 0 3 279.771 2.998 20 30 CFEDHN Cc1ccccc1[C@@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594428812 349419355 /nfs/dbraw/zinc/41/93/55/349419355.db2.gz OYTTXCXURHDFGQ-GDBMZVCRSA-N 0 3 287.407 2.926 20 30 CFEDHN Cc1ccc([C@H](NC(=O)[C@@H](N)CCCCC#N)C2CC2)cc1 ZINC000594428983 349419502 /nfs/dbraw/zinc/41/95/02/349419502.db2.gz PYWUCISOOLKXIP-IRXDYDNUSA-N 0 3 299.418 2.974 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCCCCc1ccccc1 ZINC000594428969 349419533 /nfs/dbraw/zinc/41/95/33/349419533.db2.gz PQYSZPRFKGGNBE-INIZCTEOSA-N 0 3 287.407 2.537 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000594429916 349419739 /nfs/dbraw/zinc/41/97/39/349419739.db2.gz SWNDBTIHMVWYHA-CYBMUJFWSA-N 0 3 297.761 2.507 20 30 CFEDHN CCOc1cc(F)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594429149 349419988 /nfs/dbraw/zinc/41/99/88/349419988.db2.gz RDHGRJSPLDSELS-LBPRGKRZSA-N 0 3 293.342 2.574 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]2CCCC[C@@H]12 ZINC000594429291 349420056 /nfs/dbraw/zinc/42/00/56/349420056.db2.gz SFYHWIHAJKFOHH-QKPAOTATSA-N 0 3 291.439 2.825 20 30 CFEDHN Cc1cccc([C@H](C)CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594432677 349420778 /nfs/dbraw/zinc/42/07/78/349420778.db2.gz FZYGVZYVFWRGHB-GDBMZVCRSA-N 0 3 287.407 2.626 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594430935 349420956 /nfs/dbraw/zinc/42/09/56/349420956.db2.gz DHVPAZJTRTUOIG-QGZVFWFLSA-N 0 3 299.418 2.655 20 30 CFEDHN CN(Cc1cc2ccccc2o1)C(=O)[C@H](N)CCCCC#N ZINC000594432797 349420962 /nfs/dbraw/zinc/42/09/62/349420962.db2.gz GNIVNIKOWHXKHE-OAHLLOKOSA-N 0 3 299.374 2.802 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594434655 349421747 /nfs/dbraw/zinc/42/17/47/349421747.db2.gz QUUREHWDBXOTFC-GUTXKFCHSA-N 0 3 279.428 2.823 20 30 CFEDHN CCS[C@@H]1CCCCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594434065 349421767 /nfs/dbraw/zinc/42/17/67/349421767.db2.gz JXUGVSJQAYDWGV-ZIAGYGMSSA-N 0 3 297.468 2.532 20 30 CFEDHN CCS[C@@H]1CCCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594434063 349421864 /nfs/dbraw/zinc/42/18/64/349421864.db2.gz JXUGVSJQAYDWGV-KGLIPLIRSA-N 0 3 297.468 2.532 20 30 CFEDHN CN(C[C@H]1CCCN(C)C1)C(=O)CC1(C#N)CCCCC1 ZINC000597257012 350073923 /nfs/dbraw/zinc/07/39/23/350073923.db2.gz ZVSCEEBHRAUBEC-HNNXBMFYSA-N 0 3 291.439 2.651 20 30 CFEDHN N#CC1(c2ccc(CN3CC4(C3)CCCOC4)cc2)CC1 ZINC000597146707 350038779 /nfs/dbraw/zinc/03/87/79/350038779.db2.gz OFEKIEZKJAISIC-UHFFFAOYSA-N 0 3 282.387 2.854 20 30 CFEDHN N#CC1(c2ccc(CN3CCC[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000597152003 350039381 /nfs/dbraw/zinc/03/93/81/350039381.db2.gz UZMJYCMUJQDUSO-WBVHZDCISA-N 0 3 282.387 2.853 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000597319482 350082973 /nfs/dbraw/zinc/08/29/73/350082973.db2.gz POBDPXMYPJQPEI-HOTGVXAUSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H]1C[C@@H](NC(=O)CC2(C#N)CCCCC2)CN1C1CC1 ZINC000597363336 350089627 /nfs/dbraw/zinc/08/96/27/350089627.db2.gz BHPDNUSANITVNT-UONOGXRCSA-N 0 3 289.423 2.592 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000090883975 180053356 /nfs/dbraw/zinc/05/33/56/180053356.db2.gz UXSDLZDTTGQUQP-YJYMSZOUSA-N 0 3 281.421 2.667 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000597734809 350130461 /nfs/dbraw/zinc/13/04/61/350130461.db2.gz DJWKKUWZEBOHOR-HOTGVXAUSA-N 0 3 299.418 2.517 20 30 CFEDHN C=CCCSCCNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000597973074 350166809 /nfs/dbraw/zinc/16/68/09/350166809.db2.gz RAFVJAOGIQOAKM-IHRRRGAJSA-N 0 3 284.469 2.673 20 30 CFEDHN CN(C)[C@H](CNc1cnccc1C#N)c1ccsc1 ZINC000271308545 191065027 /nfs/dbraw/zinc/06/50/27/191065027.db2.gz SAPBSQXGBYLDRY-CQSZACIVSA-N 0 3 272.377 2.730 20 30 CFEDHN CC(C#N)C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000598147378 350209763 /nfs/dbraw/zinc/20/97/63/350209763.db2.gz WZCQBSKCHFMKNU-LBPRGKRZSA-N 0 3 294.395 2.507 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NCC2(C#N)CCCCC2)c1 ZINC000598304702 350230639 /nfs/dbraw/zinc/23/06/39/350230639.db2.gz OQKSCVMFVJQRPV-UHFFFAOYSA-N 0 3 299.418 2.952 20 30 CFEDHN CCC(CC)[C@@H](O)CNCc1ccc(C#N)c(C)c1 ZINC000443997408 535118559 /nfs/dbraw/zinc/11/85/59/535118559.db2.gz QOSNROGPAGWPHY-INIZCTEOSA-N 0 3 260.381 2.753 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccco2)CC1 ZINC000598626154 350296279 /nfs/dbraw/zinc/29/62/79/350296279.db2.gz ZPAVUXFUFGWQHR-CQSZACIVSA-N 0 3 276.380 2.760 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCc2c1cccc2F ZINC000598699465 350312054 /nfs/dbraw/zinc/31/20/54/350312054.db2.gz FCKNUXZGDJUMFM-NHYWBVRUSA-N 0 3 276.355 2.703 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1nc2ccccc2[nH]1 ZINC000598715860 350316512 /nfs/dbraw/zinc/31/65/12/350316512.db2.gz UHHQVEPRVBBYCE-NWDGAFQWSA-N 0 3 286.379 2.514 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CSc2ccccc21 ZINC000598720256 350317972 /nfs/dbraw/zinc/31/79/72/350317972.db2.gz NPMXCVSHDOKNJD-AAEUAGOBSA-N 0 3 276.405 2.724 20 30 CFEDHN Cc1cccc2c1OCC[C@H]2NC[C@@H](O)CC(C)(C)C#N ZINC000598723320 350318466 /nfs/dbraw/zinc/31/84/66/350318466.db2.gz GJZUUOHOBGJTEV-DZGCQCFKSA-N 0 3 288.391 2.709 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1COc2c1cccc2Cl ZINC000598722208 350318621 /nfs/dbraw/zinc/31/86/21/350318621.db2.gz ATJIACZJLGIOMR-GXFFZTMASA-N 0 3 294.782 2.664 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCOc2ccc(F)cc21 ZINC000598722017 350318657 /nfs/dbraw/zinc/31/86/57/350318657.db2.gz YJRYOPRZXRFISB-JSGCOSHPSA-N 0 3 292.354 2.540 20 30 CFEDHN CSc1cccc(F)c1CNC[C@H](O)CC(C)(C)C#N ZINC000598728802 350320979 /nfs/dbraw/zinc/32/09/79/350320979.db2.gz VWOLRYXNFITSNC-LLVKDONJSA-N 0 3 296.411 2.938 20 30 CFEDHN CC(C)N(Cc1ccccn1)C[C@@H](O)CC(C)(C)C#N ZINC000598586463 350286236 /nfs/dbraw/zinc/28/62/36/350286236.db2.gz VUFNMOWJXWSHDE-HNNXBMFYSA-N 0 3 275.396 2.593 20 30 CFEDHN C[C@H](c1ccco1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586592 350286417 /nfs/dbraw/zinc/28/64/17/350286417.db2.gz ISSVEXYSVXVFJT-NEPJUHHUSA-N 0 3 250.342 2.573 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000598586611 350286443 /nfs/dbraw/zinc/28/64/43/350286443.db2.gz JAGNPIXWBCIQGV-KRWDZBQOSA-N 0 3 297.402 2.823 20 30 CFEDHN CCOc1ccc(CN(CC#CCOC)C(C)C)cc1 ZINC000677818700 539792914 /nfs/dbraw/zinc/79/29/14/539792914.db2.gz UNKDEMXMXBKJBC-UHFFFAOYSA-N 0 3 275.392 2.946 20 30 CFEDHN C[C@H]1c2ccccc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598590472 350287449 /nfs/dbraw/zinc/28/74/49/350287449.db2.gz ZGUDXXWNDXRMOH-DZGCQCFKSA-N 0 3 272.392 2.906 20 30 CFEDHN Cc1ccc(OCCN(C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598588069 350287474 /nfs/dbraw/zinc/28/74/74/350287474.db2.gz YSAFXPNGRBBZOR-HNNXBMFYSA-N 0 3 290.407 2.606 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccccn1 ZINC000598592908 350289358 /nfs/dbraw/zinc/28/93/58/350289358.db2.gz NBICXPDWCDIQHZ-HIFRSBDPSA-N 0 3 273.380 2.519 20 30 CFEDHN COc1cccc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)c1 ZINC000598600203 350291251 /nfs/dbraw/zinc/29/12/51/350291251.db2.gz ICWUMJJHLPFVJA-OCCSQVGLSA-N 0 3 276.380 2.647 20 30 CFEDHN COc1ccc(C2(NC[C@H](O)CC(C)(C)C#N)CC2)cc1 ZINC000598603661 350291768 /nfs/dbraw/zinc/29/17/68/350291768.db2.gz YEKCBNFUHGZMIU-CQSZACIVSA-N 0 3 288.391 2.575 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000598602208 350291936 /nfs/dbraw/zinc/29/19/36/350291936.db2.gz RKDNZEUZTQPZME-RYUDHWBXSA-N 0 3 291.351 2.546 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000598602203 350292185 /nfs/dbraw/zinc/29/21/85/350292185.db2.gz RKDNZEUZTQPZME-NEPJUHHUSA-N 0 3 291.351 2.546 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(C#N)c1 ZINC000598602904 350292191 /nfs/dbraw/zinc/29/21/91/350292191.db2.gz QUKGHQUSAGKZLR-DOMZBBRYSA-N 0 3 271.364 2.510 20 30 CFEDHN Cc1cnc([C@@H](NC[C@@H](O)CC(C)(C)C#N)C2CC2)s1 ZINC000598613944 350293842 /nfs/dbraw/zinc/29/38/42/350293842.db2.gz ZXATWTDLGWOAFB-STQMWFEESA-N 0 3 293.436 2.793 20 30 CFEDHN C[C@@H](c1ccncc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000091990069 180299514 /nfs/dbraw/zinc/29/95/14/180299514.db2.gz DDMKISURXQZDRB-GUYCJALGSA-N 0 3 281.359 2.680 20 30 CFEDHN CC1(C)OC[C@@H]2C[C@@]21NCc1ccc(C2(C#N)CC2)cc1 ZINC000598988653 350354803 /nfs/dbraw/zinc/35/48/03/350354803.db2.gz UOIWFZSAQUMRTL-MAUKXSAKSA-N 0 3 282.387 2.899 20 30 CFEDHN CC(C)CC[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000598991325 350355571 /nfs/dbraw/zinc/35/55/71/350355571.db2.gz NTGZDLFADYDOMK-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000599010124 350358241 /nfs/dbraw/zinc/35/82/41/350358241.db2.gz PSYAUPGOEOELEN-IRXDYDNUSA-N 0 3 282.387 2.899 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000599010122 350358402 /nfs/dbraw/zinc/35/84/02/350358402.db2.gz PSYAUPGOEOELEN-DLBZAZTESA-N 0 3 282.387 2.899 20 30 CFEDHN Cc1cc(CN[C@H]2CO[C@H](C3CC3)C2)ccc1C#N ZINC000599011019 350358409 /nfs/dbraw/zinc/35/84/09/350358409.db2.gz WNCKBUXGAJRNIC-CVEARBPZSA-N 0 3 256.349 2.524 20 30 CFEDHN CN1CCC[C@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000599183812 350392077 /nfs/dbraw/zinc/39/20/77/350392077.db2.gz AFLDGUHPMLKTIH-ZDUSSCGKSA-N 0 3 272.396 2.757 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1C#N ZINC000599287668 350407240 /nfs/dbraw/zinc/40/72/40/350407240.db2.gz NJMROUGSHMQFBU-KRWDZBQOSA-N 0 3 280.375 2.900 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599339236 350417285 /nfs/dbraw/zinc/41/72/85/350417285.db2.gz KQHDOCMEOVIFOX-UHFFFAOYSA-N 0 3 272.392 2.851 20 30 CFEDHN COC1(C)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599355236 350421682 /nfs/dbraw/zinc/42/16/82/350421682.db2.gz WPWYNEUTKIUADO-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN CC(C)(CO)[C@H](NCc1ccc(C#N)cc1F)C1CC1 ZINC000291013379 197888275 /nfs/dbraw/zinc/88/82/75/197888275.db2.gz WZMCCRJMRPCXKV-OAHLLOKOSA-N 0 3 276.355 2.584 20 30 CFEDHN Cc1ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1C#N ZINC000599358222 350421995 /nfs/dbraw/zinc/42/19/95/350421995.db2.gz ATSRHAYIRKWABI-SJORKVTESA-N 0 3 270.376 2.914 20 30 CFEDHN Cc1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)cc1C#N ZINC000599358219 350422330 /nfs/dbraw/zinc/42/23/30/350422330.db2.gz ATSRHAYIRKWABI-DLBZAZTESA-N 0 3 270.376 2.914 20 30 CFEDHN Cc1ccc(CN2CCC(CC#N)CC2)cc1C#N ZINC000599357070 350422718 /nfs/dbraw/zinc/42/27/18/350422718.db2.gz LERNSBZFTPXHHM-UHFFFAOYSA-N 0 3 253.349 2.992 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000599385542 350428192 /nfs/dbraw/zinc/42/81/92/350428192.db2.gz RKODRRCYFHFVLI-KBPBESRZSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1noc([C@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599409838 350431874 /nfs/dbraw/zinc/43/18/74/350431874.db2.gz VYAPLFDWNZRELA-AWEZNQCLSA-N 0 3 282.347 2.548 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)OC)c2)C1 ZINC000599526915 350450340 /nfs/dbraw/zinc/45/03/40/350450340.db2.gz WJYBWICVXHLYCO-CYBMUJFWSA-N 0 3 259.349 2.871 20 30 CFEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599451348 350440291 /nfs/dbraw/zinc/44/02/91/350440291.db2.gz WUPLSZRBQBTSKZ-WFASDCNBSA-N 0 3 276.355 2.921 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2ccc(Br)cc21 ZINC000289968983 539798529 /nfs/dbraw/zinc/79/85/29/539798529.db2.gz XHZQZMPOIIVIAU-OCCSQVGLSA-N 0 3 296.208 2.963 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](C)[C@H]2CCO)cc1C#N ZINC000599465263 350441352 /nfs/dbraw/zinc/44/13/52/350441352.db2.gz DSBWNRJBBVWGNI-RHSMWYFYSA-N 0 3 272.392 2.850 20 30 CFEDHN C[C@@H](CN(C)[C@@H](C)C(=O)N(C)CCC#N)C1CCCCC1 ZINC000599632982 350468969 /nfs/dbraw/zinc/46/89/69/350468969.db2.gz INWVMECDNBQZAB-GJZGRUSLSA-N 0 3 293.455 2.895 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000599649224 350473148 /nfs/dbraw/zinc/47/31/48/350473148.db2.gz CBOYZWIBEFAPJZ-GVDBMIGSSA-N 0 3 298.386 2.722 20 30 CFEDHN CC(=O)NC[C@H]1CCCCN1CCCCC(C)(C)C#N ZINC000599690697 350484025 /nfs/dbraw/zinc/48/40/25/350484025.db2.gz PFDUNFJHBCYAPJ-OAHLLOKOSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CCC(C)(C)CNCc1cccc(C(=O)OCC)n1 ZINC000600171928 350529639 /nfs/dbraw/zinc/52/96/39/350529639.db2.gz YFAGBCCIZMBIAO-UHFFFAOYSA-N 0 3 276.380 2.950 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600186078 350534247 /nfs/dbraw/zinc/53/42/47/350534247.db2.gz OJPJSKAKZRJVOE-PWSUYJOCSA-N 0 3 278.302 2.830 20 30 CFEDHN COC(=O)Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000600186489 350534265 /nfs/dbraw/zinc/53/42/65/350534265.db2.gz YZKMVPNWODBYKK-HOTGVXAUSA-N 0 3 286.375 2.574 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1ccc(C#N)c(OC)c1 ZINC000600214662 350542293 /nfs/dbraw/zinc/54/22/93/350542293.db2.gz DQAULAGDUIRCLF-UHFFFAOYSA-N 0 3 276.380 2.550 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000600508416 350560170 /nfs/dbraw/zinc/56/01/70/350560170.db2.gz KQSCGHFJIMFUNV-RNCFNFMXSA-N 0 3 262.740 2.993 20 30 CFEDHN C[C@@H]1C[C@@H](NC[C@H](O)CC2(C#N)CC2)c2ccccc2O1 ZINC000600740361 350604937 /nfs/dbraw/zinc/60/49/37/350604937.db2.gz UQPGLNXZVLSPQY-UMVBOHGHSA-N 0 3 286.375 2.543 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2cc3ccccc3o2)CC1 ZINC000600715117 350599832 /nfs/dbraw/zinc/59/98/32/350599832.db2.gz FAWSOLRHVYVTMF-ZDUSSCGKSA-N 0 3 270.332 2.577 20 30 CFEDHN CSc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1 ZINC000600718600 350600981 /nfs/dbraw/zinc/60/09/81/350600981.db2.gz HNLRMAAWMQTABT-CYBMUJFWSA-N 0 3 276.405 2.553 20 30 CFEDHN CCC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccn1 ZINC000600723525 350601553 /nfs/dbraw/zinc/60/15/53/350601553.db2.gz VKNAWWMZLKJWMJ-KBPBESRZSA-N 0 3 273.380 2.567 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2ccccc2C(F)(F)F)CC1 ZINC000600720471 350601582 /nfs/dbraw/zinc/60/15/82/350601582.db2.gz ZCWLUJCVPBMDQZ-GFCCVEGCSA-N 0 3 298.308 2.850 20 30 CFEDHN CCC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccn1 ZINC000600723528 350601736 /nfs/dbraw/zinc/60/17/36/350601736.db2.gz VKNAWWMZLKJWMJ-ZIAGYGMSSA-N 0 3 273.380 2.567 20 30 CFEDHN CC(C)CC[C@H](O)CNCC1(C#N)CCCCC1 ZINC000600759271 350606272 /nfs/dbraw/zinc/60/62/72/350606272.db2.gz ZUCAXNFZIMZCDF-AWEZNQCLSA-N 0 3 252.402 2.847 20 30 CFEDHN C[C@@H](C#N)n1cc(-c2cccc(CN(C)C)c2)cn1 ZINC000600777051 350608966 /nfs/dbraw/zinc/60/89/66/350608966.db2.gz RANLUZBQAXSNEF-LBPRGKRZSA-N 0 3 254.337 2.696 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2c1cccc2Cl ZINC000600804766 350614768 /nfs/dbraw/zinc/61/47/68/350614768.db2.gz MELZDIHVIJPIHI-SECBINFHSA-N 0 3 275.739 2.640 20 30 CFEDHN CCN(C(=O)[C@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000110061208 186283738 /nfs/dbraw/zinc/28/37/38/186283738.db2.gz KKZCZZQYXLYWCL-XJKSGUPXSA-N 0 3 285.391 2.562 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccccc1CC#N ZINC000601011891 350645309 /nfs/dbraw/zinc/64/53/09/350645309.db2.gz VPVLKNAUCUJWQV-GJZGRUSLSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2CC#N)CC1 ZINC000601041476 350649519 /nfs/dbraw/zinc/64/95/19/350649519.db2.gz ZZNYMUHLCWWFDR-UHFFFAOYSA-N 0 3 297.402 2.523 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccccc1CC#N ZINC000601123600 350674691 /nfs/dbraw/zinc/67/46/91/350674691.db2.gz GAAJOOLMCHZBQX-GASCZTMLSA-N 0 3 299.418 2.745 20 30 CFEDHN N#Cc1cnc(N2CC[C@H](N3CC=CC3)C2)c2sccc21 ZINC000601121965 350674728 /nfs/dbraw/zinc/67/47/28/350674728.db2.gz TUHJZHLCEYNGIF-ZDUSSCGKSA-N 0 3 296.399 2.618 20 30 CFEDHN CC1(C)CCC[C@@](O)(CNCc2ccc(C#N)o2)CC1 ZINC000601141088 350680863 /nfs/dbraw/zinc/68/08/63/350680863.db2.gz HXCMWUFXRSQMJV-INIZCTEOSA-N 0 3 276.380 2.962 20 30 CFEDHN N#Cc1ccc(CNCc2cccc3c2CCOC3)cc1 ZINC000601156486 350684594 /nfs/dbraw/zinc/68/45/94/350684594.db2.gz XLBGOGVCZNEIRT-UHFFFAOYSA-N 0 3 278.355 2.921 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccccc1CC#N ZINC000601170409 350687237 /nfs/dbraw/zinc/68/72/37/350687237.db2.gz QYXJQWXJBWKFIR-MRXNPFEDSA-N 0 3 299.418 2.747 20 30 CFEDHN CC[C@H]1CN(C)CCCN1c1ncc(Cl)c(C)c1C#N ZINC000601189066 350692087 /nfs/dbraw/zinc/69/20/87/350692087.db2.gz ORVPHYPKSMUTQS-LBPRGKRZSA-N 0 3 292.814 2.836 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC23CC3)cc1 ZINC000601704917 350764957 /nfs/dbraw/zinc/76/49/57/350764957.db2.gz MYFIYRZZOITNIA-HZPDHXFCSA-N 0 3 293.370 2.689 20 30 CFEDHN CNCc1cccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000601565301 350740002 /nfs/dbraw/zinc/74/00/02/350740002.db2.gz JJKJJORINMSOOF-ZFWWWQNUSA-N 0 3 286.379 2.562 20 30 CFEDHN CCC1(c2ccccc2)CN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601960190 350819464 /nfs/dbraw/zinc/81/94/64/350819464.db2.gz QNGILZOIZOSGHZ-INIZCTEOSA-N 0 3 284.403 2.705 20 30 CFEDHN CC[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)N(CC)CC ZINC000601715344 350767526 /nfs/dbraw/zinc/76/75/26/350767526.db2.gz LGQBURLIZPQQIX-AWEZNQCLSA-N 0 3 277.343 2.756 20 30 CFEDHN COCCCCCNCc1cccc(F)c1C#N ZINC000602009082 350829810 /nfs/dbraw/zinc/82/98/10/350829810.db2.gz UXSHLDCRGGNCQW-UHFFFAOYSA-N 0 3 250.317 2.604 20 30 CFEDHN C[C@H]1C[C@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602014464 350831470 /nfs/dbraw/zinc/83/14/70/350831470.db2.gz DSYZUULRWLKQEO-NWDGAFQWSA-N 0 3 262.328 2.602 20 30 CFEDHN N#Cc1c(F)cccc1CNCC1(CF)CCOCC1 ZINC000602019059 350833133 /nfs/dbraw/zinc/83/31/33/350833133.db2.gz CVIXMHDCKQHNBS-UHFFFAOYSA-N 0 3 280.318 2.553 20 30 CFEDHN CN(CC(=O)N[C@@H](C#N)C1CCCCC1)CC(C)(C)C ZINC000602115352 350842878 /nfs/dbraw/zinc/84/28/78/350842878.db2.gz IVBJUVYGGZJWGJ-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCSCCNCc1ccc2nccnc2c1 ZINC000601998421 350826389 /nfs/dbraw/zinc/82/63/89/350826389.db2.gz GBZKHCISYNFZQO-UHFFFAOYSA-N 0 3 259.378 2.639 20 30 CFEDHN C[C@@H](CN1CCCCC1)NCc1cccc(F)c1C#N ZINC000602006983 350828924 /nfs/dbraw/zinc/82/89/24/350828924.db2.gz UDABRVPCTIDLHS-ZDUSSCGKSA-N 0 3 275.371 2.661 20 30 CFEDHN CCCO[C@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC000602476495 350898995 /nfs/dbraw/zinc/89/89/95/350898995.db2.gz QVYUSYQCDFZNNH-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN CCSCC[C@H](C)N(C)Cc1cccc(C#N)n1 ZINC000602480502 350899730 /nfs/dbraw/zinc/89/97/30/350899730.db2.gz CGYHEYURBNXAEE-LBPRGKRZSA-N 0 3 263.410 2.917 20 30 CFEDHN COc1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602502349 350907482 /nfs/dbraw/zinc/90/74/82/350907482.db2.gz HZOOOPJCRZTNEY-AWEZNQCLSA-N 0 3 288.391 2.884 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCCOc1ccccc1 ZINC000602505111 350908308 /nfs/dbraw/zinc/90/83/08/350908308.db2.gz UASKRYRDEUUNHP-HNNXBMFYSA-N 0 3 288.391 2.754 20 30 CFEDHN COc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602508878 350909723 /nfs/dbraw/zinc/90/97/23/350909723.db2.gz NADJDPKESPGMCE-CQSZACIVSA-N 0 3 288.391 2.884 20 30 CFEDHN C[C@@H](NC[C@@H](C)CCC#N)c1nnc2n1CCCCC2 ZINC000602511741 350910170 /nfs/dbraw/zinc/91/01/70/350910170.db2.gz QTWWQLGIDROJBX-QWHCGFSZSA-N 0 3 275.400 2.595 20 30 CFEDHN Cc1cccc(CN[C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602512554 350911588 /nfs/dbraw/zinc/91/15/88/350911588.db2.gz CEXZOJHSOHEVOR-CQSZACIVSA-N 0 3 273.380 2.579 20 30 CFEDHN CC1(C)CCC[C@H]1CCNC(=O)[C@H](N)CCCCC#N ZINC000602523888 350913952 /nfs/dbraw/zinc/91/39/52/350913952.db2.gz HTPRPCFBYZWTQJ-UONOGXRCSA-N 0 3 279.428 2.730 20 30 CFEDHN CS[C@@H]1CCC[C@H](NCc2cccc(C#N)n2)C1 ZINC000602551967 350922014 /nfs/dbraw/zinc/92/20/14/350922014.db2.gz QATXAGIDXDUYLS-SMDDNHRTSA-N 0 3 261.394 2.717 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)Oc1ccccc1 ZINC000602555234 350922779 /nfs/dbraw/zinc/92/27/79/350922779.db2.gz POQCCKPVYJXJRQ-CYBMUJFWSA-N 0 3 267.332 2.510 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCc3ccccc3C2)n1 ZINC000602553986 350922986 /nfs/dbraw/zinc/92/29/86/350922986.db2.gz YGIODISBXKKWPG-CQSZACIVSA-N 0 3 277.371 2.848 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)Oc1ccccc1F ZINC000602562591 350925112 /nfs/dbraw/zinc/92/51/12/350925112.db2.gz UTEMSUBTZGGMJN-GFCCVEGCSA-N 0 3 285.322 2.649 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C12CCCC2 ZINC000602562062 350925314 /nfs/dbraw/zinc/92/53/14/350925314.db2.gz VONZMBCMIQJXKD-HZPDHXFCSA-N 0 3 285.391 2.781 20 30 CFEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000602564367 350925689 /nfs/dbraw/zinc/92/56/89/350925689.db2.gz MHLNPFMVQUGCAS-FHSNZYRGSA-N 0 3 293.370 2.996 20 30 CFEDHN CO[C@H](C)c1nc(CNC[C@H](C)CCC#N)cs1 ZINC000602564503 350926216 /nfs/dbraw/zinc/92/62/16/350926216.db2.gz MQBLFTYHXLWCKF-GHMZBOCLSA-N 0 3 267.398 2.880 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000602569303 350928505 /nfs/dbraw/zinc/92/85/05/350928505.db2.gz PGXQBZCCXQVDOI-KZNAEPCWSA-N 0 3 275.355 2.629 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000602439463 350883715 /nfs/dbraw/zinc/88/37/15/350883715.db2.gz CWUHKVMXVJXLFX-OAHLLOKOSA-N 0 3 289.398 2.883 20 30 CFEDHN C[C@H](CCC#N)CN1CCCC[C@H]1c1ccnn1C ZINC000602646247 350959809 /nfs/dbraw/zinc/95/98/09/350959809.db2.gz BRSWFGPWUGFYRM-HIFRSBDPSA-N 0 3 260.385 2.887 20 30 CFEDHN C[C@H](CCC#N)CNCc1ccn(Cc2ccccc2)n1 ZINC000602650232 350960868 /nfs/dbraw/zinc/96/08/68/350960868.db2.gz DEGBUSNLDXFZMJ-OAHLLOKOSA-N 0 3 282.391 2.961 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000602651381 350962085 /nfs/dbraw/zinc/96/20/85/350962085.db2.gz IGCYPLSRETXXPS-SJLPKXTDSA-N 0 3 285.435 2.785 20 30 CFEDHN Cc1cc(CN[C@H](C)CC2(C#N)CCOCC2)ccn1 ZINC000602672027 350970401 /nfs/dbraw/zinc/97/04/01/350970401.db2.gz BZLDVWRRXTYOKK-CQSZACIVSA-N 0 3 273.380 2.579 20 30 CFEDHN C[C@@H](CCC#N)CN1CCOC[C@@H]1CC1CCC1 ZINC000602672067 350970537 /nfs/dbraw/zinc/97/05/37/350970537.db2.gz MJUTUDAAMGCRTO-ZFWWWQNUSA-N 0 3 250.386 2.817 20 30 CFEDHN C[C@H](CCC#N)CN1CCOC[C@@H]1CC1CCC1 ZINC000602672065 350971034 /nfs/dbraw/zinc/97/10/34/350971034.db2.gz MJUTUDAAMGCRTO-HIFRSBDPSA-N 0 3 250.386 2.817 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCCCC2(F)F)n1 ZINC000602674322 350972771 /nfs/dbraw/zinc/97/27/71/350972771.db2.gz OKJRFDLVSWIEDK-LLVKDONJSA-N 0 3 265.307 2.868 20 30 CFEDHN CC1(C)CN(Cc2cccc(C#N)n2)[C@@H]2CCC[C@H]21 ZINC000602675718 350972954 /nfs/dbraw/zinc/97/29/54/350972954.db2.gz ISGYIIJLVWQNEH-HUUCEWRRSA-N 0 3 255.365 2.964 20 30 CFEDHN COc1cccc2c1CN(C[C@H](C)CCC#N)CC2 ZINC000602683680 350976659 /nfs/dbraw/zinc/97/66/59/350976659.db2.gz RHLDWYQVGFXSQI-CYBMUJFWSA-N 0 3 258.365 2.993 20 30 CFEDHN Cc1ccncc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602686529 350978849 /nfs/dbraw/zinc/97/88/49/350978849.db2.gz WTLDPOOHFVHSGN-AWEZNQCLSA-N 0 3 273.380 2.579 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc2cncn2c1 ZINC000602689886 350980405 /nfs/dbraw/zinc/98/04/05/350980405.db2.gz GPOMDXYMBAHAMT-AWEZNQCLSA-N 0 3 298.390 2.523 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cc(C(=O)OC)no1 ZINC000602704010 350989332 /nfs/dbraw/zinc/98/93/32/350989332.db2.gz ACKPLTMCNKBEOU-WCQYABFASA-N 0 3 278.352 2.686 20 30 CFEDHN C=CCCSCCNCc1cc(C)c(C(=O)OC)[nH]1 ZINC000602710580 350992732 /nfs/dbraw/zinc/99/27/32/350992732.db2.gz MFKBYWHMKSXZAA-UHFFFAOYSA-N 0 3 282.409 2.509 20 30 CFEDHN CC(C)c1ncc2c(n1)CCN(C[C@@H](C)CCC#N)C2 ZINC000602720483 350998623 /nfs/dbraw/zinc/99/86/23/350998623.db2.gz IJNJCWACCRCGOY-ZDUSSCGKSA-N 0 3 272.396 2.898 20 30 CFEDHN C[C@@H](CCC#N)CN[C@@H](CO)c1ccc(F)cc1F ZINC000602723847 351000926 /nfs/dbraw/zinc/00/09/26/351000926.db2.gz UHRNMVVZXFFNNY-HZMBPMFUSA-N 0 3 268.307 2.528 20 30 CFEDHN CCC[C@@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000602728625 351002944 /nfs/dbraw/zinc/00/29/44/351002944.db2.gz CBHZXTPPMNNCKN-INIZCTEOSA-N 0 3 272.392 2.926 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000602610932 350945607 /nfs/dbraw/zinc/94/56/07/350945607.db2.gz KGXKSSNBJDEKDJ-WCQYABFASA-N 0 3 292.345 2.952 20 30 CFEDHN C[C@H](CCC#N)CNCc1nn(C)c2ccccc12 ZINC000602614759 350947107 /nfs/dbraw/zinc/94/71/07/350947107.db2.gz CQALRIZRYPOVRE-GFCCVEGCSA-N 0 3 256.353 2.603 20 30 CFEDHN C[C@@H](CCC#N)CNCc1nn(C)c2ccccc12 ZINC000602614760 350947395 /nfs/dbraw/zinc/94/73/95/350947395.db2.gz CQALRIZRYPOVRE-LBPRGKRZSA-N 0 3 256.353 2.603 20 30 CFEDHN CC[C@H](C)c1nnc([C@H](C)[NH2+]C[C@H](C)CCC#N)[n-]1 ZINC000602631670 350953549 /nfs/dbraw/zinc/95/35/49/350953549.db2.gz QIUJFEFJYFWBBZ-WOPDTQHZSA-N 0 3 263.389 2.909 20 30 CFEDHN CC[C@H](C)c1nnc([C@H](C)NC[C@H](C)CCC#N)[nH]1 ZINC000602631670 350953551 /nfs/dbraw/zinc/95/35/51/350953551.db2.gz QIUJFEFJYFWBBZ-WOPDTQHZSA-N 0 3 263.389 2.909 20 30 CFEDHN Cc1ccnc(-c2nnc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)[n-]2)c1 ZINC000602638747 350957603 /nfs/dbraw/zinc/95/76/03/350957603.db2.gz HRASSCHCYJQHGY-QWHCGFSZSA-N 0 3 298.394 2.766 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCO[C@@H]1C ZINC000602767844 351017760 /nfs/dbraw/zinc/01/77/60/351017760.db2.gz GTJCYECWFDNNFI-RHSMWYFYSA-N 0 3 270.376 2.971 20 30 CFEDHN C[C@@H](O)CN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602780790 351022342 /nfs/dbraw/zinc/02/23/42/351022342.db2.gz RYPFHZMBBJGEBL-CQSZACIVSA-N 0 3 258.365 2.563 20 30 CFEDHN COC(=O)[C@H](C)[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602792231 351027133 /nfs/dbraw/zinc/02/71/33/351027133.db2.gz IPURCMSBMGLFSH-HIFRSBDPSA-N 0 3 286.375 2.820 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(Cl)cc2)C[C@@H](C)N1CC#N ZINC000602848626 351043999 /nfs/dbraw/zinc/04/39/99/351043999.db2.gz HOLVUIMHWIHNFY-ZIAGYGMSSA-N 0 3 291.826 2.801 20 30 CFEDHN Cc1ncccc1OC[C@H]1CCCN1CC1(CC#N)CC1 ZINC000602848484 351044204 /nfs/dbraw/zinc/04/42/04/351044204.db2.gz VPCKPBQWMBJBRJ-OAHLLOKOSA-N 0 3 285.391 2.927 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C)C[C@@H](C)N1CC#N ZINC000602853535 351046032 /nfs/dbraw/zinc/04/60/32/351046032.db2.gz JRUWGJZONKBGDR-ZIAGYGMSSA-N 0 3 251.418 2.731 20 30 CFEDHN CC(C)(NCc1cc[nH]c(=O)c1)c1cccc(C#N)c1 ZINC000602878638 351056229 /nfs/dbraw/zinc/05/62/29/351056229.db2.gz CTFMMZHXYLBMRK-UHFFFAOYSA-N 0 3 267.332 2.684 20 30 CFEDHN N#Cc1ccccc1NC1CCN(CCOCC2CC2)CC1 ZINC000602893814 351059446 /nfs/dbraw/zinc/05/94/46/351059446.db2.gz IXAWMIQHVUEACK-UHFFFAOYSA-N 0 3 299.418 2.861 20 30 CFEDHN CC[C@@H]1CCC[C@H](CN2CCN(CCC#N)CC2)C1 ZINC000602748734 351013224 /nfs/dbraw/zinc/01/32/24/351013224.db2.gz RHDDKTWGEZPILN-CVEARBPZSA-N 0 3 263.429 2.734 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1CN1CCN(CCC#N)CC1 ZINC000602749137 351013669 /nfs/dbraw/zinc/01/36/69/351013669.db2.gz YNHDCSFQAGLZBT-HZPDHXFCSA-N 0 3 263.429 2.734 20 30 CFEDHN CC(C)[C@@H](N)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227965 351121622 /nfs/dbraw/zinc/12/16/22/351121622.db2.gz XEECRAJZWHWMTO-CQSZACIVSA-N 0 3 289.770 2.507 20 30 CFEDHN Cc1cnn(CCCCCN(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602978756 351080287 /nfs/dbraw/zinc/08/02/87/351080287.db2.gz WBSHZIHCYDFMAK-JKSUJKDBSA-N 0 3 274.412 2.986 20 30 CFEDHN CCC[C@@H](N)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603242480 351124648 /nfs/dbraw/zinc/12/46/48/351124648.db2.gz IEQZWYNEICGJME-CYBMUJFWSA-N 0 3 289.770 2.651 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602998015 351089088 /nfs/dbraw/zinc/08/90/88/351089088.db2.gz VYHSYKOMCFFZFE-BBWFWOEESA-N 0 3 270.376 2.684 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H](C)C(C)(C)C ZINC000603053435 351096103 /nfs/dbraw/zinc/09/61/03/351096103.db2.gz CKUZBOXVMMDQIA-ZIAGYGMSSA-N 0 3 281.444 2.609 20 30 CFEDHN CC[C@@H](C)N1CCN(c2ccc(C#N)cc2COC)CC1 ZINC000603390837 351154685 /nfs/dbraw/zinc/15/46/85/351154685.db2.gz DJBNKJRIHZOVNG-CQSZACIVSA-N 0 3 287.407 2.625 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000113935591 186601343 /nfs/dbraw/zinc/60/13/43/186601343.db2.gz DTGOVZKKYJAUER-INIZCTEOSA-N 0 3 258.365 2.807 20 30 CFEDHN C=CCCOCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000603694917 351178169 /nfs/dbraw/zinc/17/81/69/351178169.db2.gz JTNUYNTXKVUXMN-UHFFFAOYSA-N 0 3 276.380 2.588 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000603326269 351139488 /nfs/dbraw/zinc/13/94/88/351139488.db2.gz NPBJSWZWEGRWHF-JFUSQASVSA-N 0 3 282.265 2.837 20 30 CFEDHN C=CCCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000606898069 351300613 /nfs/dbraw/zinc/30/06/13/351300613.db2.gz BVQSRFMXDDILFA-MRXNPFEDSA-N 0 3 294.826 2.567 20 30 CFEDHN CC#CCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000607724089 351356346 /nfs/dbraw/zinc/35/63/46/351356346.db2.gz ZXVDCJORRSHJKZ-UHFFFAOYSA-N 0 3 276.811 2.871 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1ncc(C#N)cc1Cl ZINC000609840012 351521845 /nfs/dbraw/zinc/52/18/45/351521845.db2.gz YFCQKZFXQLBWME-LBPRGKRZSA-N 0 3 278.787 2.893 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C(C)C#N)CC3 ZINC000609919845 351528274 /nfs/dbraw/zinc/52/82/74/351528274.db2.gz XHXDNJLWPNWWJB-NSHDSACASA-N 0 3 267.332 2.521 20 30 CFEDHN CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(C)C#N ZINC000609920223 351528368 /nfs/dbraw/zinc/52/83/68/351528368.db2.gz VZFCTCUAVOZLSV-NWDGAFQWSA-N 0 3 260.337 2.811 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000609920899 351528901 /nfs/dbraw/zinc/52/89/01/351528901.db2.gz NMHUUBWEOYFAOL-VIFPVBQESA-N 0 3 275.739 2.640 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000610015875 351531658 /nfs/dbraw/zinc/53/16/58/351531658.db2.gz DHGQHHLMBXOLHV-QPUJVOFHSA-N 0 3 252.264 2.692 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1C2CCC1CC2 ZINC000610132230 351535823 /nfs/dbraw/zinc/53/58/23/351535823.db2.gz BINRXYPGSLTXFT-UHFFFAOYSA-N 0 3 272.348 2.572 20 30 CFEDHN CCCN1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000610245763 351544113 /nfs/dbraw/zinc/54/41/13/351544113.db2.gz RBCACQIPTVCAHK-UHFFFAOYSA-N 0 3 280.375 2.638 20 30 CFEDHN CC(C)C[C@H](NC1CCN(CC#N)CC1)c1ccccn1 ZINC000610813092 351611624 /nfs/dbraw/zinc/61/16/24/351611624.db2.gz ZEILIWAFOZOQGP-KRWDZBQOSA-N 0 3 286.423 2.746 20 30 CFEDHN N#Cc1ccc(OC2CCN([C@@H]3CCCOC3)CC2)cc1 ZINC000610570029 351582829 /nfs/dbraw/zinc/58/28/29/351582829.db2.gz PTGBSTKLFHVWPY-OAHLLOKOSA-N 0 3 286.375 2.580 20 30 CFEDHN CC(C)[C@H]1c2ccccc2CCN1C(=O)C(C)C#N ZINC000610792084 351609853 /nfs/dbraw/zinc/60/98/53/351609853.db2.gz LFRIEHBUPXMRKB-DOMZBBRYSA-N 0 3 256.349 2.928 20 30 CFEDHN CC[C@H](c1ccccc1)N1CCN(CCC#N)CC1 ZINC000610336885 351555172 /nfs/dbraw/zinc/55/51/72/351555172.db2.gz YMIWHENDBQXTBY-MRXNPFEDSA-N 0 3 257.381 2.669 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@@H](C(F)F)C2)cc1 ZINC000611180071 351648376 /nfs/dbraw/zinc/64/83/76/351648376.db2.gz REBDBUQREPEJRV-GFCCVEGCSA-N 0 3 266.291 2.524 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@@H](C(F)F)C2)c1 ZINC000611179895 351648590 /nfs/dbraw/zinc/64/85/90/351648590.db2.gz MYVLKFHBNDELDD-GFCCVEGCSA-N 0 3 266.291 2.524 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC2(CCOC2)CC1 ZINC000611236055 351654376 /nfs/dbraw/zinc/65/43/76/351654376.db2.gz SWWBLPFGOPYJNB-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN CO[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000610959404 351625259 /nfs/dbraw/zinc/62/52/59/351625259.db2.gz WZZSKSDBFUUGOP-KGLIPLIRSA-N 0 3 262.328 2.745 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](c3ccco3)C2)ccn1 ZINC000610992791 351630079 /nfs/dbraw/zinc/63/00/79/351630079.db2.gz JJQZGBLAILLAFR-ZDUSSCGKSA-N 0 3 253.305 2.536 20 30 CFEDHN COc1ccccc1[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610993089 351630284 /nfs/dbraw/zinc/63/02/84/351630284.db2.gz CIADTLFFQWNDQF-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN C[C@@H](NCCC(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000611387889 351679334 /nfs/dbraw/zinc/67/93/34/351679334.db2.gz HMYXQAMMUJOMMM-CYBMUJFWSA-N 0 3 285.391 2.658 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCC(=O)NC1CCCC1 ZINC000611394184 351681518 /nfs/dbraw/zinc/68/15/18/351681518.db2.gz QJYUVKCBAJFULC-QGZVFWFLSA-N 0 3 297.402 2.584 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](CC1CC1)c1ccccc1 ZINC000611395798 351682349 /nfs/dbraw/zinc/68/23/49/351682349.db2.gz UPVOAWMDDOENIA-KRWDZBQOSA-N 0 3 299.418 2.880 20 30 CFEDHN N#Cc1cccc(C2(NCCC(=O)N3CCCCC3)CC2)c1 ZINC000611396073 351682620 /nfs/dbraw/zinc/68/26/20/351682620.db2.gz ABSSSMABOHXSNH-UHFFFAOYSA-N 0 3 297.402 2.540 20 30 CFEDHN CNC(=O)[C@H](CC(C)C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611477022 351696145 /nfs/dbraw/zinc/69/61/45/351696145.db2.gz LFFMKLUNXASSCR-SJORKVTESA-N 0 3 299.418 2.686 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)ccn1 ZINC000611350806 351673781 /nfs/dbraw/zinc/67/37/81/351673781.db2.gz SLHZHBMYHYCTKB-HOCLYGCPSA-N 0 3 285.391 2.592 20 30 CFEDHN COC1(CN[C@@H](C)c2ccc(C#N)cc2F)CCOCC1 ZINC000611589036 351713334 /nfs/dbraw/zinc/71/33/34/351713334.db2.gz LDUZBYNCDXKUGO-LBPRGKRZSA-N 0 3 292.354 2.544 20 30 CFEDHN Cc1ccnc(NC[C@H](C)N2CCC[C@H](C)C2)c1C#N ZINC000612070384 351768694 /nfs/dbraw/zinc/76/86/94/351768694.db2.gz CAPUHFQGYCONCX-JSGCOSHPSA-N 0 3 272.396 2.794 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000612070187 351769129 /nfs/dbraw/zinc/76/91/29/351769129.db2.gz KOGDQAIVUUOKGY-QGZVFWFLSA-N 0 3 280.375 2.786 20 30 CFEDHN CC(C)[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)N1CCCCC1 ZINC000612366699 351808893 /nfs/dbraw/zinc/80/88/93/351808893.db2.gz UIXLCGMALRBYQS-WBVHZDCISA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc(F)cc2C#N)CN1C1CC1 ZINC000123033734 187067562 /nfs/dbraw/zinc/06/75/62/187067562.db2.gz KGHQRMYLDVKJHP-GXFFZTMASA-N 0 3 259.328 2.734 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C)[C@@H](C)C1 ZINC000122982381 187064069 /nfs/dbraw/zinc/06/40/69/187064069.db2.gz CNWYNFOUQXBLTO-KGLIPLIRSA-N 0 3 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293.432 2.506 20 30 CFEDHN CCC1(CC)[C@@H](NCc2ccnc(C#N)c2)C[C@@H]1OC ZINC000617548449 352579081 /nfs/dbraw/zinc/57/90/81/352579081.db2.gz OBEFEFZCEFONPF-GJZGRUSLSA-N 0 3 273.380 2.637 20 30 CFEDHN C=C[C@@H](CC(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000617553186 352581599 /nfs/dbraw/zinc/58/15/99/352581599.db2.gz CALWRIAIINTGGZ-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000617782555 352644792 /nfs/dbraw/zinc/64/47/92/352644792.db2.gz HVXYFURQFNTCGE-QLFBSQMISA-N 0 3 264.413 2.674 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC12CCOCC2 ZINC000618318200 352751521 /nfs/dbraw/zinc/75/15/21/352751521.db2.gz IBBMSSQPLHYBBR-UHFFFAOYSA-N 0 3 256.349 2.622 20 30 CFEDHN Cc1ccccc1[C@H](CO)N[C@H]1CCC[C@H](C#N)C1 ZINC000618570113 352812997 /nfs/dbraw/zinc/81/29/97/352812997.db2.gz NHCZQJKGWKEURL-DZKIICNBSA-N 0 3 258.365 2.700 20 30 CFEDHN CSc1cc(CN[C@@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000618571454 352813948 /nfs/dbraw/zinc/81/39/48/352813948.db2.gz RLBHPIVFVLECJQ-DGCLKSJQSA-N 0 3 261.394 2.975 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000618571693 352813976 /nfs/dbraw/zinc/81/39/76/352813976.db2.gz MEFVJRSUEHDCJX-OLZOCXBDSA-N 0 3 289.335 2.646 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2cccc(F)c2)C1 ZINC000618571763 352814006 /nfs/dbraw/zinc/81/40/06/352814006.db2.gz WWXXLIWEIDQJMC-KCPJHIHWSA-N 0 3 262.328 2.531 20 30 CFEDHN CCC[C@@]1(COC)CCCN1Cc1ccnc(C#N)c1 ZINC000618550647 352806730 /nfs/dbraw/zinc/80/67/30/352806730.db2.gz OLUMPJZIQONENE-INIZCTEOSA-N 0 3 273.380 2.734 20 30 CFEDHN COCC#CCSCCN(C)Cc1ccccc1 ZINC000618965744 352922288 /nfs/dbraw/zinc/92/22/88/352922288.db2.gz IHRYHDZQFJUESJ-UHFFFAOYSA-N 0 3 263.406 2.501 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2NCCN1CC=CCC1 ZINC000619503307 353030174 /nfs/dbraw/zinc/03/01/74/353030174.db2.gz RBMAPAROPUPRKS-UHFFFAOYSA-N 0 3 292.386 2.511 20 30 CFEDHN COc1cccc(-c2n[nH]cc2CNCC2(CC#N)CC2)c1 ZINC000619530075 353033538 /nfs/dbraw/zinc/03/35/38/353033538.db2.gz 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/nfs/dbraw/zinc/04/79/30/353047930.db2.gz KNKRGGXMRFPORY-XIRDDKMYSA-N 0 3 294.402 2.986 20 30 CFEDHN C#CCSCCNCc1c[nH]nc1-c1ccccc1 ZINC000152928267 188053152 /nfs/dbraw/zinc/05/31/52/188053152.db2.gz NQINKAVLTFNVRL-UHFFFAOYSA-N 0 3 271.389 2.533 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155651145 188219690 /nfs/dbraw/zinc/21/96/90/188219690.db2.gz BVUWIOZHWUUTJC-LBPRGKRZSA-N 0 3 264.325 2.838 20 30 CFEDHN CSC[C@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000292482888 198305200 /nfs/dbraw/zinc/30/52/00/198305200.db2.gz SHNIDOMRFFVXLC-GOEBONIOSA-N 0 3 290.432 2.667 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000292478226 198302433 /nfs/dbraw/zinc/30/24/33/198302433.db2.gz AMVBBZDTGHVUJY-GFCCVEGCSA-N 0 3 290.388 2.852 20 30 CFEDHN C=CCN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000157373418 188312469 /nfs/dbraw/zinc/31/24/69/188312469.db2.gz JWTDPTUCJYLZCP-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN CC1CCN(CCNc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157674803 188331273 /nfs/dbraw/zinc/33/12/73/188331273.db2.gz DVBTTWXEYGBWHO-UHFFFAOYSA-N 0 3 288.351 2.610 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157915948 188347036 /nfs/dbraw/zinc/34/70/36/188347036.db2.gz JNXZHXOKTXQAFC-MRXNPFEDSA-N 0 3 299.418 2.852 20 30 CFEDHN C[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000158238076 188365688 /nfs/dbraw/zinc/36/56/88/188365688.db2.gz XOLDZZMNSDVLCL-CXAGYDPISA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCCCCNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623495008 353656763 /nfs/dbraw/zinc/65/67/63/353656763.db2.gz NBVKBJNUGFHTNE-UHFFFAOYSA-N 0 3 274.343 2.852 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000623584461 353678748 /nfs/dbraw/zinc/67/87/48/353678748.db2.gz FXEDHTXMPKMLDQ-BZUAXINKSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000623721286 353711472 /nfs/dbraw/zinc/71/14/72/353711472.db2.gz SEYKAXLWRCEMJH-JKSUJKDBSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@H](OC)C2)cc1OC 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C=CC[C@@H]1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000625699923 354088152 /nfs/dbraw/zinc/08/81/52/354088152.db2.gz DZYLJVCHHMCIAZ-ZIAGYGMSSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2cccs2)C1 ZINC000625702235 354089829 /nfs/dbraw/zinc/08/98/29/354089829.db2.gz UVTFGMVMOSREID-CYBMUJFWSA-N 0 3 278.421 2.605 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000625702354 354090400 /nfs/dbraw/zinc/09/04/00/354090400.db2.gz XUMQHKKKAUOMRR-CQSZACIVSA-N 0 3 292.810 2.854 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000625702614 354090441 /nfs/dbraw/zinc/09/04/41/354090441.db2.gz VRAYBOPJLGWBCD-ZNMIVQPWSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCCCc2ccccc2)C1 ZINC000625702622 354090460 /nfs/dbraw/zinc/09/04/60/354090460.db2.gz HRNZNGGUOQICKK-QGZVFWFLSA-N 0 3 286.419 2.633 20 30 CFEDHN C=CC[C@H]1CCN(CCOCC(F)(F)C(F)F)C1 ZINC000625704329 354091574 /nfs/dbraw/zinc/09/15/74/354091574.db2.gz XTSHMXQSKZRODV-JTQLQIEISA-N 0 3 269.282 2.801 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000625705190 354091601 /nfs/dbraw/zinc/09/16/01/354091601.db2.gz YJDVKUSQHZBIMX-CYBMUJFWSA-N 0 3 292.810 2.854 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000625897641 354135624 /nfs/dbraw/zinc/13/56/24/354135624.db2.gz MYJLGTWXTUNSLW-GFCCVEGCSA-N 0 3 271.364 2.720 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625940068 354150195 /nfs/dbraw/zinc/15/01/95/354150195.db2.gz BXBMHZYPQSZKKQ-UHFFFAOYSA-N 0 3 289.379 2.502 20 30 CFEDHN N#CCc1cccc2c1CCN(CC1CCC(=O)CC1)C2 ZINC000626130706 354204970 /nfs/dbraw/zinc/20/49/70/354204970.db2.gz BWKTUYADTMTYDM-UHFFFAOYSA-N 0 3 282.387 2.870 20 30 CFEDHN COCC#CCN([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626135174 354206332 /nfs/dbraw/zinc/20/63/32/354206332.db2.gz UFFIUGMPUIHRIT-MAUKXSAKSA-N 0 3 287.403 2.661 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1=CCCC1 ZINC001085168297 781932814 /nfs/dbraw/zinc/93/28/14/781932814.db2.gz HIWUCWRRWGWPFY-ZIAGYGMSSA-N 0 3 282.815 2.866 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)[C@@H](CC)N(CC)CC)C1 ZINC000628487914 354604468 /nfs/dbraw/zinc/60/44/68/354604468.db2.gz OAXADPLGOZIXQR-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000628406713 354579708 /nfs/dbraw/zinc/57/97/08/354579708.db2.gz PCQYADSEDRZSKA-LBPRGKRZSA-N 0 3 288.416 2.998 20 30 CFEDHN N#CCC1(CN[C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353643128 283051020 /nfs/dbraw/zinc/05/10/20/283051020.db2.gz VQXUMKDYFZPQNZ-HNNXBMFYSA-N 0 3 251.333 2.829 20 30 CFEDHN C=CCn1cc(-c2cccc(OCCN(C)C)c2)cn1 ZINC000629701172 354900217 /nfs/dbraw/zinc/90/02/17/354900217.db2.gz QYZGCJCFQYRHBE-UHFFFAOYSA-N 0 3 271.364 2.677 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cccc3c2OCCCO3)C1 ZINC000329989225 283058228 /nfs/dbraw/zinc/05/82/28/283058228.db2.gz VACRJMAPLVXEAN-TZMCWYRMSA-N 0 3 272.348 2.630 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000349308532 283058556 /nfs/dbraw/zinc/05/85/56/283058556.db2.gz ABLNFWJVPKYXLR-QKCSRTOESA-N 0 3 260.312 2.931 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000442871007 283059146 /nfs/dbraw/zinc/05/91/46/283059146.db2.gz LFMJIDGBGISTHY-UHIISALHSA-N 0 3 260.312 2.931 20 30 CFEDHN C=CCOCCNCc1cccn1CCC(C)C ZINC000679487008 540065613 /nfs/dbraw/zinc/06/56/13/540065613.db2.gz VSBJCUIJLYWLKZ-UHFFFAOYSA-N 0 3 250.386 2.826 20 30 CFEDHN N#Cc1c(F)cccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000113427407 283075790 /nfs/dbraw/zinc/07/57/90/283075790.db2.gz YGVYCUKFMHNEAT-CYBMUJFWSA-N 0 3 273.355 2.762 20 30 CFEDHN N#Cc1c(F)cccc1N1CC[C@H](N2CCCCC2)C1 ZINC000113427403 283076308 /nfs/dbraw/zinc/07/63/08/283076308.db2.gz YGVYCUKFMHNEAT-ZDUSSCGKSA-N 0 3 273.355 2.762 20 30 CFEDHN C=C1CC(C)(C(=O)NCc2ccccc2CN(C)C)C1 ZINC000630552613 355110845 /nfs/dbraw/zinc/11/08/45/355110845.db2.gz DVOWDZCXYXZKGK-UHFFFAOYSA-N 0 3 272.392 2.721 20 30 CFEDHN C[C@@H](CNc1nc2c(cc1C#N)CCC2)N1CCC[C@@H](C)C1 ZINC000328706221 202024181 /nfs/dbraw/zinc/02/41/81/202024181.db2.gz AGWLZZFEPNDHFB-KGLIPLIRSA-N 0 3 298.434 2.974 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2(C(F)F)CCC2)CC1 ZINC000630941684 355223498 /nfs/dbraw/zinc/22/34/98/355223498.db2.gz DMBSAYYXWRAZID-UHFFFAOYSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3ccn(C)c3c2)CC1 ZINC000630941342 355223978 /nfs/dbraw/zinc/22/39/78/355223978.db2.gz CCIMSCOIPYYVAS-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN COc1ccc([C@H](O)CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000271850719 191367187 /nfs/dbraw/zinc/36/71/87/191367187.db2.gz RJWBEFJNWHEVAC-FZKQIMNGSA-N 0 3 296.370 2.951 20 30 CFEDHN C[C@H](NCCN(C)CC(F)(F)F)c1cccc(C#N)c1 ZINC000271866984 191377206 /nfs/dbraw/zinc/37/72/06/191377206.db2.gz LRDXYRQGIVQOPX-NSHDSACASA-N 0 3 285.313 2.703 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000271955865 191429771 /nfs/dbraw/zinc/42/97/71/191429771.db2.gz PXGUKIFFSCSIKG-NHYWBVRUSA-N 0 3 288.322 2.983 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccncc1Br ZINC000631161944 355323652 /nfs/dbraw/zinc/32/36/52/355323652.db2.gz QWLMNCASOYCLQV-AAEUAGOBSA-N 0 3 297.196 2.525 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000631220209 355358000 /nfs/dbraw/zinc/35/80/00/355358000.db2.gz QKAGWGRLFFPBQI-XJKCOSOUSA-N 0 3 261.365 2.907 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000631222506 355358939 /nfs/dbraw/zinc/35/89/39/355358939.db2.gz QARDFWPNLHXYQP-OAHLLOKOSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3cc(C)cn3c2)CC1 ZINC000672869658 540175261 /nfs/dbraw/zinc/17/52/61/540175261.db2.gz IVRLBXLEVYHASZ-UHFFFAOYSA-N 0 3 297.402 2.628 20 30 CFEDHN COCC#CCN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000680090933 540197342 /nfs/dbraw/zinc/19/73/42/540197342.db2.gz JONAVEMWBVGROQ-WMLDXEAASA-N 0 3 273.376 2.728 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)NC1CCN(CC=C)CC1 ZINC000633039259 355792561 /nfs/dbraw/zinc/79/25/61/355792561.db2.gz BYGAVVIKFROKHB-UHFFFAOYSA-N 0 3 293.455 2.928 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)C[C@H]1CCCN1C ZINC000633410355 355894425 /nfs/dbraw/zinc/89/44/25/355894425.db2.gz KECBLJCGNZKFAG-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCCC3)C2)s1 ZINC000121330349 283140228 /nfs/dbraw/zinc/14/02/28/283140228.db2.gz NNRHSIOPFQVTNW-CYBMUJFWSA-N 0 3 275.421 2.680 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)C2CCC2)c(C(F)(F)F)c1 ZINC000449739231 283145845 /nfs/dbraw/zinc/14/58/45/283145845.db2.gz JKQHRBIFLFSZSV-CQSZACIVSA-N 0 3 298.308 2.828 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)s1 ZINC000267151645 283146920 /nfs/dbraw/zinc/14/69/20/283146920.db2.gz CGOPOTDBCRPEBL-CYBMUJFWSA-N 0 3 285.372 2.888 20 30 CFEDHN N#Cc1ccc(N2CCC[C@@H](N3CCCCCC3)C2=O)cc1 ZINC000182634728 283157130 /nfs/dbraw/zinc/15/71/30/283157130.db2.gz UFLKLANHHCYNGS-QGZVFWFLSA-N 0 3 297.402 2.930 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCCCO1)CC2 ZINC000336560090 283198398 /nfs/dbraw/zinc/19/83/98/283198398.db2.gz YMKKBKQRPYOIJF-GOEBONIOSA-N 0 3 256.349 2.704 20 30 CFEDHN N#Cc1csc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000329114388 202194653 /nfs/dbraw/zinc/19/46/53/202194653.db2.gz SGQBXJNYPSIEGG-GXTWGEPZSA-N 0 3 289.404 2.951 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000294335210 199002875 /nfs/dbraw/zinc/00/28/75/199002875.db2.gz IFCQILTVMWSWAK-HNNXBMFYSA-N 0 3 272.392 2.589 20 30 CFEDHN CC#CCN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000294476347 199054558 /nfs/dbraw/zinc/05/45/58/199054558.db2.gz IMIJZTXMJYVAOQ-UHFFFAOYSA-N 0 3 284.403 2.768 20 30 CFEDHN C[C@H]1C[C@H](N(C)c2nccc(C#N)c2Cl)CCN1C ZINC000342352205 291125639 /nfs/dbraw/zinc/12/56/39/291125639.db2.gz UDSVJRXTOFEFPB-CMPLNLGQSA-N 0 3 278.787 2.526 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C3CC3)nc2C)CC1 ZINC000294586378 199096857 /nfs/dbraw/zinc/09/68/57/199096857.db2.gz LDDCADIFGAZDDZ-UHFFFAOYSA-N 0 3 299.418 2.648 20 30 CFEDHN CN1CC=C(CNc2cccc(Cl)c2C#N)CC1 ZINC000294830385 199201961 /nfs/dbraw/zinc/20/19/61/199201961.db2.gz ANBCIXZDCKRUDU-UHFFFAOYSA-N 0 3 261.756 2.885 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NCc2ccc(C#N)s2)c1 ZINC000421921357 237008005 /nfs/dbraw/zinc/00/80/05/237008005.db2.gz QBMUKTKFVMMMII-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccsc2)CC1 ZINC000669870223 540600351 /nfs/dbraw/zinc/60/03/51/540600351.db2.gz HVZIFOQGHLUFKA-LBPRGKRZSA-N 0 3 293.436 2.759 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CCN(CCC)C2)CCCC1 ZINC000666920244 540591638 /nfs/dbraw/zinc/59/16/38/540591638.db2.gz QIZBMLMJQGIWFH-AWEZNQCLSA-N 0 3 279.428 2.659 20 30 CFEDHN C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000297239363 200123090 /nfs/dbraw/zinc/12/30/90/200123090.db2.gz IIUFIZXQXLUZTA-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669943872 540624354 /nfs/dbraw/zinc/62/43/54/540624354.db2.gz YBKCGJXXBGOTMZ-VXGBXAGGSA-N 0 3 277.330 2.978 20 30 CFEDHN CCN1CCCC[C@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000329385223 202309834 /nfs/dbraw/zinc/30/98/34/202309834.db2.gz RWXJLGQBXSANPQ-HNNXBMFYSA-N 0 3 284.407 2.728 20 30 CFEDHN CCCN(CCC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000297862880 200294804 /nfs/dbraw/zinc/29/48/04/200294804.db2.gz MCOQXCPNRSXTLQ-CYBMUJFWSA-N 0 3 291.420 2.847 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H](C)CCOC ZINC000298146771 200344853 /nfs/dbraw/zinc/34/48/53/200344853.db2.gz OQERSOPNUCCDDY-AWEZNQCLSA-N 0 3 258.365 2.971 20 30 CFEDHN CN(C)C[C@@H](Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000176953034 189017007 /nfs/dbraw/zinc/01/70/07/189017007.db2.gz LOEWPKRMWLYHHR-OAHLLOKOSA-N 0 3 299.443 2.882 20 30 CFEDHN CC(C)(C)C[C@@H](O)CNCc1ccc(C#N)s1 ZINC000176971781 189017775 /nfs/dbraw/zinc/01/77/75/189017775.db2.gz CCOCQGJLGMSCLB-SNVBAGLBSA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccccc2CC)CC1 ZINC000178500415 189121535 /nfs/dbraw/zinc/12/15/35/189121535.db2.gz NBMSXXJBVHCJNB-UHFFFAOYSA-N 0 3 272.392 2.629 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H]1COc2ccccc2O1 ZINC000683793207 540780515 /nfs/dbraw/zinc/78/05/15/540780515.db2.gz UHSDZYBNBLXNAY-ZIAGYGMSSA-N 0 3 259.349 2.867 20 30 CFEDHN C=CCOc1ccc(CNC2(CO)CCC2)cc1Cl ZINC000178637238 189133196 /nfs/dbraw/zinc/13/31/96/189133196.db2.gz KVVRBSZMNVKRSO-UHFFFAOYSA-N 0 3 281.783 2.909 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cnc(C(C)C)s2)CC1 ZINC000178525683 189124092 /nfs/dbraw/zinc/12/40/92/189124092.db2.gz CSSDKGQPECTAFF-UHFFFAOYSA-N 0 3 293.436 2.647 20 30 CFEDHN C=CC(C)(C)CN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000384815258 540801087 /nfs/dbraw/zinc/80/10/87/540801087.db2.gz AUWUMJTXNCYFIH-ZDUSSCGKSA-N 0 3 297.395 2.846 20 30 CFEDHN C#CCCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179197011 189177263 /nfs/dbraw/zinc/17/72/63/189177263.db2.gz QDONWNCNYNJJIJ-SJORKVTESA-N 0 3 299.418 2.535 20 30 CFEDHN CCC#C[C@H](C)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000685582242 540937938 /nfs/dbraw/zinc/93/79/38/540937938.db2.gz LBWWCTVPINWHRK-XIRDDKMYSA-N 0 3 256.393 2.823 20 30 CFEDHN CC(C)N(CC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000180451246 189255663 /nfs/dbraw/zinc/25/56/63/189255663.db2.gz YMTPVXNVLZQGJN-UHFFFAOYSA-N 0 3 259.353 2.616 20 30 CFEDHN C=CCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000168557064 541006861 /nfs/dbraw/zinc/00/68/61/541006861.db2.gz LVVUPTVKWLFZPB-UHFFFAOYSA-N 0 3 286.169 2.829 20 30 CFEDHN CC1([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)OCCO1 ZINC000183843212 189369370 /nfs/dbraw/zinc/36/93/70/189369370.db2.gz QALPYSYESMVBGZ-INIZCTEOSA-N 0 3 286.375 2.533 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC(F)(F)F ZINC000425537687 239092428 /nfs/dbraw/zinc/09/24/28/239092428.db2.gz QQLGRPPCCXYXSU-MFKMUULPSA-N 0 3 286.297 2.864 20 30 CFEDHN CCN1CCC(Nc2cc(C#N)ccc2C(C)=O)CC1 ZINC000302116519 201347437 /nfs/dbraw/zinc/34/74/37/201347437.db2.gz RSTPGNLGGRYILV-UHFFFAOYSA-N 0 3 271.364 2.657 20 30 CFEDHN CC1=CCN(CCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000302158161 201372119 /nfs/dbraw/zinc/37/21/19/201372119.db2.gz OLLRENNIWMICDU-UHFFFAOYSA-N 0 3 276.771 2.671 20 30 CFEDHN C=CCN(CCOC)Cc1cc2ccncc2s1 ZINC000668055074 541375476 /nfs/dbraw/zinc/37/54/76/541375476.db2.gz QRXUHHFCHXOYSU-UHFFFAOYSA-N 0 3 262.378 2.931 20 30 CFEDHN Cc1cc(CNCCC(=O)Nc2ccccc2)ccc1C#N ZINC000444005618 241106937 /nfs/dbraw/zinc/10/69/37/241106937.db2.gz RNIOZVRHXGFBMK-UHFFFAOYSA-N 0 3 293.370 2.985 20 30 CFEDHN CC[C@@H](N[C@H](C)COCCOC)c1ccc(C#N)cc1 ZINC000447590001 241390108 /nfs/dbraw/zinc/39/01/08/241390108.db2.gz ZOQVYMSACSCGQP-CZUORRHYSA-N 0 3 276.380 2.650 20 30 CFEDHN CN(Cc1cc(C#N)cs1)[C@H](CO)CC(C)(C)C ZINC000449587193 242049922 /nfs/dbraw/zinc/04/99/22/242049922.db2.gz NYHWFAIBQIFCCT-LBPRGKRZSA-N 0 3 266.410 2.849 20 30 CFEDHN Cn1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC000449532857 242008596 /nfs/dbraw/zinc/00/85/96/242008596.db2.gz DRLDUCCZWCTBFQ-HOTGVXAUSA-N 0 3 255.365 2.517 20 30 CFEDHN COc1cccc(C[C@H](C)NCc2ccc(C#N)c(F)c2)n1 ZINC000449737860 242127249 /nfs/dbraw/zinc/12/72/49/242127249.db2.gz VEWNKONPSCDUBH-LBPRGKRZSA-N 0 3 299.349 2.822 20 30 CFEDHN C=CCC[C@H](O)CN1CCCO[C@@H](c2ccccc2)C1 ZINC000675496467 541662265 /nfs/dbraw/zinc/66/22/65/541662265.db2.gz XVIBTABTYSJXIM-DLBZAZTESA-N 0 3 275.392 2.777 20 30 CFEDHN C=CCOCCN[C@@H]1CCc2c1ccc(OC)c2F ZINC000675925250 541709836 /nfs/dbraw/zinc/70/98/36/541709836.db2.gz XERAJCHDCQCMAC-CYBMUJFWSA-N 0 3 265.328 2.614 20 30 CFEDHN CC(C)[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000330784221 203231528 /nfs/dbraw/zinc/23/15/28/203231528.db2.gz JOTYNRCWBKSDGQ-IAQYHMDHSA-N 0 3 264.344 2.755 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000276082019 193208523 /nfs/dbraw/zinc/20/85/23/193208523.db2.gz BANAYQGJNPLDFA-KBPBESRZSA-N 0 3 290.407 2.769 20 30 CFEDHN CCN(CC#Cc1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000676556918 541766693 /nfs/dbraw/zinc/76/66/93/541766693.db2.gz BDVUWMZZWNIRIH-HNNXBMFYSA-N 0 3 261.340 2.536 20 30 CFEDHN C#CC[C@H](NCCOCC(F)F)c1ccccc1 ZINC000276259348 193260751 /nfs/dbraw/zinc/26/07/51/193260751.db2.gz QWTLMKQKZMYHQW-ZDUSSCGKSA-N 0 3 253.292 2.622 20 30 CFEDHN C=CCCN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000276447998 193335233 /nfs/dbraw/zinc/33/52/33/193335233.db2.gz PFYCQKNRJDJQOP-AWEZNQCLSA-N 0 3 260.337 2.520 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000459470825 245190901 /nfs/dbraw/zinc/19/09/01/245190901.db2.gz WBEPZNXJKWTLSO-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN COCC#CCN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000677133311 541825945 /nfs/dbraw/zinc/82/59/45/541825945.db2.gz RFVYGJRTYSXOLQ-KRWDZBQOSA-N 0 3 257.377 2.652 20 30 CFEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000459766526 245312575 /nfs/dbraw/zinc/31/25/75/245312575.db2.gz DTWKYRCXDNOSSS-KGLIPLIRSA-N 0 3 264.756 2.869 20 30 CFEDHN CN(C)CCN(C(=O)c1cscc1C#N)c1ccccc1 ZINC000460065704 245348342 /nfs/dbraw/zinc/34/83/42/245348342.db2.gz QGLFKCDQNJOWIQ-UHFFFAOYSA-N 0 3 299.399 2.828 20 30 CFEDHN CCN(CC#CCOC)[C@@H](C)c1cccc(OC)c1 ZINC000677477810 541864668 /nfs/dbraw/zinc/86/46/68/541864668.db2.gz ZCTXGZDYSLQNLZ-AWEZNQCLSA-N 0 3 261.365 2.728 20 30 CFEDHN N#Cc1cccc(CNCc2ccc3c(c2)OCCO3)c1 ZINC000020120799 372234319 /nfs/dbraw/zinc/23/43/19/372234319.db2.gz RNABNFSELJMXKO-UHFFFAOYSA-N 0 3 280.327 2.619 20 30 CFEDHN C=C(C)[C@@H](CO)N1Cc2ccccc2OC(C)(C)C1 ZINC000677505740 541869006 /nfs/dbraw/zinc/86/90/06/541869006.db2.gz OGXQWLMDVDNBJJ-CQSZACIVSA-N 0 3 261.365 2.597 20 30 CFEDHN CN(C)[C@@H](CNc1ncccc1C#N)c1cccc(F)c1 ZINC000025280517 372294102 /nfs/dbraw/zinc/29/41/02/372294102.db2.gz XAHHJMGLOFZVEL-HNNXBMFYSA-N 0 3 284.338 2.807 20 30 CFEDHN C[C@@H](CN1CCCCC1)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000027768307 372348414 /nfs/dbraw/zinc/34/84/14/372348414.db2.gz YOSUOOBKMQHWNO-HVHJFMEUSA-N 0 3 297.402 2.562 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000677539968 541874228 /nfs/dbraw/zinc/87/42/28/541874228.db2.gz UTQCCJCNPVIPJG-GDBMZVCRSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccc(OC)cc1)C1CC1 ZINC000036102300 372560934 /nfs/dbraw/zinc/56/09/34/372560934.db2.gz GVGRRRIFLUUZNC-INIZCTEOSA-N 0 3 275.392 2.987 20 30 CFEDHN Cc1cncn1CC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000528964996 383683884 /nfs/dbraw/zinc/68/38/84/383683884.db2.gz ADUHUILPZSSQCL-LLVKDONJSA-N 0 3 288.376 2.648 20 30 CFEDHN C=CCCCCCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043494 383686212 /nfs/dbraw/zinc/68/62/12/383686212.db2.gz GXPMHNLXLLECPB-NWDGAFQWSA-N 0 3 265.319 2.835 20 30 CFEDHN CCO[C@H]1CCCN(CCCOc2cccc(C#N)c2)C1 ZINC000042422301 372921237 /nfs/dbraw/zinc/92/12/37/372921237.db2.gz ZYXNZQQXEFBSOF-KRWDZBQOSA-N 0 3 288.391 2.828 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1csc(Br)c1 ZINC000044826199 373010615 /nfs/dbraw/zinc/01/06/15/373010615.db2.gz VDOYMOZCOWIQBJ-ZETCQYMHSA-N 0 3 287.182 2.629 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000046342223 373050478 /nfs/dbraw/zinc/05/04/78/373050478.db2.gz HKBDEFDTLYSNAZ-MRXNPFEDSA-N 0 3 291.391 2.527 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN([C@@H](C)C1CC1)C1CC1 ZINC000047908414 373128576 /nfs/dbraw/zinc/12/85/76/373128576.db2.gz BLOXSROIAJLABC-ZDUSSCGKSA-N 0 3 264.413 2.674 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000529219470 383688719 /nfs/dbraw/zinc/68/87/19/383688719.db2.gz YJFVOBVFJHJXDB-CYBMUJFWSA-N 0 3 279.428 2.553 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1Cc1ccc(C#N)s1 ZINC000289671476 197441120 /nfs/dbraw/zinc/44/11/20/197441120.db2.gz NPERKYAUSGPOQF-CHWSQXEVSA-N 0 3 275.421 2.678 20 30 CFEDHN CN(CCOc1ccccc1C#N)Cc1ccc(C#N)cc1 ZINC000060467936 373697130 /nfs/dbraw/zinc/69/71/30/373697130.db2.gz ZJYUTWVVNIPBQX-UHFFFAOYSA-N 0 3 291.354 2.941 20 30 CFEDHN CCCN1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061850762 373732336 /nfs/dbraw/zinc/73/23/36/373732336.db2.gz GBCQYPLVCABCCS-UHFFFAOYSA-N 0 3 263.772 2.744 20 30 CFEDHN COC(=O)CCN(Cc1cc(C#N)ccc1F)CC(C)C ZINC000064568609 373832631 /nfs/dbraw/zinc/83/26/31/373832631.db2.gz RALJABKXCAFFEU-UHFFFAOYSA-N 0 3 292.354 2.718 20 30 CFEDHN C#CCN(CCc1ccncc1)Cc1ccc(F)cc1 ZINC000065958487 373903149 /nfs/dbraw/zinc/90/31/49/373903149.db2.gz RISNFOVKNHIJSH-UHFFFAOYSA-N 0 3 268.335 2.899 20 30 CFEDHN C=C(C)CN(CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065222927 373849998 /nfs/dbraw/zinc/84/99/98/373849998.db2.gz UVBMAVFUCZAKEB-UHFFFAOYSA-N 0 3 264.325 2.872 20 30 CFEDHN C=CCNC(=O)CN(CCC)[C@H]1CCc2ccccc2C1 ZINC000066437370 373932409 /nfs/dbraw/zinc/93/24/09/373932409.db2.gz FWQVOIKSBPAZTC-KRWDZBQOSA-N 0 3 286.419 2.558 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)[C@@H](C)C(C)C ZINC000067653864 373989257 /nfs/dbraw/zinc/98/92/57/373989257.db2.gz DRZSHKHNTJEGRV-AWEZNQCLSA-N 0 3 252.402 2.553 20 30 CFEDHN C[C@H](CC#N)N(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000264102955 383696856 /nfs/dbraw/zinc/69/68/56/383696856.db2.gz AMPAUKUZJHCNFM-CQSZACIVSA-N 0 3 285.391 2.657 20 30 CFEDHN COCC#CCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000677818616 541909968 /nfs/dbraw/zinc/90/99/68/541909968.db2.gz DHGUFROJPRTIFK-INIZCTEOSA-N 0 3 282.387 2.997 20 30 CFEDHN CCOC[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000072975169 374307881 /nfs/dbraw/zinc/30/78/81/374307881.db2.gz RVBMBZMIELDTMS-MRXNPFEDSA-N 0 3 288.391 2.686 20 30 CFEDHN CCCN(CC(=O)Nc1sccc1C#N)CC1CC1 ZINC000072950510 374308299 /nfs/dbraw/zinc/30/82/99/374308299.db2.gz VOKJGCFORUJFJG-UHFFFAOYSA-N 0 3 277.393 2.680 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N(CC)CCC#N ZINC000072775214 374285042 /nfs/dbraw/zinc/28/50/42/374285042.db2.gz LQYHNHJHXKIAIJ-HUUCEWRRSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC(C)(C)CC2)CC1 ZINC000074132473 374407323 /nfs/dbraw/zinc/40/73/23/374407323.db2.gz VEAYXFAJUTYZSO-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000074206482 374409966 /nfs/dbraw/zinc/40/99/66/374409966.db2.gz SJMOTYUYNJNQHK-GHMZBOCLSA-N 0 3 298.333 2.629 20 30 CFEDHN N#Cc1cccc(CNCc2ccc(C3OCCO3)cc2)c1 ZINC000074372162 374418534 /nfs/dbraw/zinc/41/85/34/374418534.db2.gz PVYBMOKXTRNZSU-UHFFFAOYSA-N 0 3 294.354 2.893 20 30 CFEDHN C=CCN1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000076016911 374521615 /nfs/dbraw/zinc/52/16/15/374521615.db2.gz VLZOPRYFVGENIP-LBPRGKRZSA-N 0 3 254.374 2.504 20 30 CFEDHN C=CCCCCN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000574519976 335026248 /nfs/dbraw/zinc/02/62/48/335026248.db2.gz PQDURXQWNCGQNL-KBPBESRZSA-N 0 3 273.442 2.630 20 30 CFEDHN C=CCN(CC=C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000079451591 374614920 /nfs/dbraw/zinc/61/49/20/374614920.db2.gz WCRLVHVFTURZMI-UHFFFAOYSA-N 0 3 287.407 2.632 20 30 CFEDHN CCOC(=O)CCCN[C@H](C)c1ccc(C#N)cc1 ZINC000081548116 374705662 /nfs/dbraw/zinc/70/56/62/374705662.db2.gz UAEWLFROSOXPQW-GFCCVEGCSA-N 0 3 260.337 2.552 20 30 CFEDHN O[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1cccc(Cl)c1)C2 ZINC000640078875 383704521 /nfs/dbraw/zinc/70/45/21/383704521.db2.gz WJVMNWOVDLUUFO-KBMXLJTQSA-N 0 3 275.779 2.537 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000330367867 335028697 /nfs/dbraw/zinc/02/86/97/335028697.db2.gz HLGYWKZYCOCWAV-KOLCDFICSA-N 0 3 295.314 2.521 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(CC)[C@@H](C)C1 ZINC000678261736 541988859 /nfs/dbraw/zinc/98/88/59/541988859.db2.gz QICHXKYNQDBCRQ-HNNXBMFYSA-N 0 3 274.408 2.777 20 30 CFEDHN CO[C@@H]1CC[C@H]2OCCN(CC(C)(C)CCC#N)[C@H]2C1 ZINC000092097697 375087231 /nfs/dbraw/zinc/08/72/31/375087231.db2.gz XNZYOXUUQKQGFU-QLFBSQMISA-N 0 3 280.412 2.585 20 30 CFEDHN COCCN(Cc1cc(C#N)cs1)CC(C)C ZINC000092563937 375124897 /nfs/dbraw/zinc/12/48/97/375124897.db2.gz CIHGQDLMZGWVAO-UHFFFAOYSA-N 0 3 252.383 2.724 20 30 CFEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000093250966 375200318 /nfs/dbraw/zinc/20/03/18/375200318.db2.gz SQLBAVBEAOODTF-CYBMUJFWSA-N 0 3 273.380 2.865 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@H](Oc2cccnc2)C1 ZINC000093691948 375298843 /nfs/dbraw/zinc/29/88/43/375298843.db2.gz UUUPDPHHXRZEAA-HNNXBMFYSA-N 0 3 273.380 2.865 20 30 CFEDHN CSCC[C@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000093558703 375267873 /nfs/dbraw/zinc/26/78/73/375267873.db2.gz PXIJWYGHKNTLOJ-LBPRGKRZSA-N 0 3 288.420 2.779 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000678716026 542060193 /nfs/dbraw/zinc/06/01/93/542060193.db2.gz KIAHMGONNIZADM-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000678716027 542060555 /nfs/dbraw/zinc/06/05/55/542060555.db2.gz KIAHMGONNIZADM-ZNMIVQPWSA-N 0 3 253.386 2.611 20 30 CFEDHN C#CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000108362920 375815253 /nfs/dbraw/zinc/81/52/53/375815253.db2.gz SLBGCMCDFHOVCQ-UHFFFAOYSA-N 0 3 271.339 2.713 20 30 CFEDHN N#Cc1ccc(N2CC[C@H](N3CCCCC3)C2)c(F)c1 ZINC000110258978 375827569 /nfs/dbraw/zinc/82/75/69/375827569.db2.gz LQQXXSPTYRFZMK-AWEZNQCLSA-N 0 3 273.355 2.762 20 30 CFEDHN CN(CCC(=O)Nc1cccc(C#N)c1)CCC(F)(F)F ZINC000112828313 375968776 /nfs/dbraw/zinc/96/87/76/375968776.db2.gz NIQZXRSPFAHKBN-UHFFFAOYSA-N 0 3 299.296 2.771 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](CC)CC2)CC1 ZINC000431974285 383711090 /nfs/dbraw/zinc/71/10/90/383711090.db2.gz QRQJHNBLAMKRBH-SHTZXODSSA-N 0 3 293.455 2.905 20 30 CFEDHN N#Cc1cccc(CNCc2cccc(-c3nc[nH]n3)c2)c1 ZINC000115620801 376144836 /nfs/dbraw/zinc/14/48/36/376144836.db2.gz NUEYVEPOJLCDNK-UHFFFAOYSA-N 0 3 289.342 2.633 20 30 CFEDHN CC(C)CO[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000119587237 376440517 /nfs/dbraw/zinc/44/05/17/376440517.db2.gz KYQBXRIAYORRMX-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)s1)[C@H]1CCCO1 ZINC000119753557 376466332 /nfs/dbraw/zinc/46/63/32/376466332.db2.gz GHJSNUQKEPSSAH-QWHCGFSZSA-N 0 3 250.367 2.667 20 30 CFEDHN N#CCSCCCN(Cc1ccncc1)C1CC1 ZINC000119772750 376470530 /nfs/dbraw/zinc/47/05/30/376470530.db2.gz CPLMYBSMRKKDSM-UHFFFAOYSA-N 0 3 261.394 2.693 20 30 CFEDHN CC(C)(C#N)CCN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000119886155 376497207 /nfs/dbraw/zinc/49/72/07/376497207.db2.gz PQPOMVUFZUJSHC-KGLIPLIRSA-N 0 3 282.453 2.913 20 30 CFEDHN CC(C)(C#N)CCN1CCC(c2nnc3ccccn32)CC1 ZINC000119858505 376489864 /nfs/dbraw/zinc/48/98/64/376489864.db2.gz DRXPDKUGRFMDNF-UHFFFAOYSA-N 0 3 297.406 2.849 20 30 CFEDHN C=CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000264406322 190107711 /nfs/dbraw/zinc/10/77/11/190107711.db2.gz KNVVTZRHOKUPRD-ZDUSSCGKSA-N 0 3 275.396 2.601 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCC1CCOCC1 ZINC000120588332 376647757 /nfs/dbraw/zinc/64/77/57/376647757.db2.gz YDKSHSXKBQBPMN-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN COCC#CCN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000678903546 542091401 /nfs/dbraw/zinc/09/14/01/542091401.db2.gz TXAIZSJXFCEBGL-MRXNPFEDSA-N 0 3 261.340 2.825 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000678913284 542092275 /nfs/dbraw/zinc/09/22/75/542092275.db2.gz PWPUYPRCHPYKFF-LSDHHAIUSA-N 0 3 281.444 2.905 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1CSC ZINC000121259263 376791850 /nfs/dbraw/zinc/79/18/50/376791850.db2.gz NSCUMFJYWOHMDT-AWEZNQCLSA-N 0 3 276.405 2.894 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000121416861 376828396 /nfs/dbraw/zinc/82/83/96/376828396.db2.gz UJBSHDZCADGSBB-BMFZPTHFSA-N 0 3 288.366 2.943 20 30 CFEDHN CN(C)[C@@H](CNC(=O)c1cscc1C#N)c1ccccc1 ZINC000432066549 383718511 /nfs/dbraw/zinc/71/85/11/383718511.db2.gz KUWODEKNOKJBNG-HNNXBMFYSA-N 0 3 299.399 2.652 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(C2CCCC2)CC1 ZINC000126989204 377258874 /nfs/dbraw/zinc/25/88/74/377258874.db2.gz NVVNUDJHCIZQIU-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@](C)(O)C2)cc1 ZINC000129405440 377421846 /nfs/dbraw/zinc/42/18/46/377421846.db2.gz OBHZOCUJJBDSHR-MRXNPFEDSA-N 0 3 261.365 2.598 20 30 CFEDHN N#Cc1cc(Br)ccc1NCCN1CCCC1 ZINC000130437088 377558619 /nfs/dbraw/zinc/55/86/19/377558619.db2.gz NBNZZPCZZBSICL-UHFFFAOYSA-N 0 3 294.196 2.828 20 30 CFEDHN CCCN(CCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000131119821 377660580 /nfs/dbraw/zinc/66/05/80/377660580.db2.gz PTAMRNNJLYOOEP-UHFFFAOYSA-N 0 3 268.364 2.667 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCS1 ZINC000131389166 377704765 /nfs/dbraw/zinc/70/47/65/377704765.db2.gz NMMDJKQXXGGBAG-CQSZACIVSA-N 0 3 289.448 2.974 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000432110302 383722828 /nfs/dbraw/zinc/72/28/28/383722828.db2.gz IALXWNQWISBDQO-QWHCGFSZSA-N 0 3 279.428 2.513 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)C2(C#N)CCC2)N(C)C)cc1 ZINC000134521178 378026189 /nfs/dbraw/zinc/02/61/89/378026189.db2.gz NAFPSQNAOSUGNV-MRXNPFEDSA-N 0 3 299.418 2.662 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)C2(C#N)CCC2)N(C)C)cc1 ZINC000134521202 378026406 /nfs/dbraw/zinc/02/64/06/378026406.db2.gz NAFPSQNAOSUGNV-INIZCTEOSA-N 0 3 299.418 2.662 20 30 CFEDHN Cc1ccnc(NCCN2CCCCCC2)c1C#N ZINC000135189091 378096406 /nfs/dbraw/zinc/09/64/06/378096406.db2.gz XSMPMBHRITVPAL-UHFFFAOYSA-N 0 3 258.369 2.550 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000451861177 383727026 /nfs/dbraw/zinc/72/70/26/383727026.db2.gz YZWHUADTCCOFSV-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN C#CCCCCNCc1cccc2c1OCCCO2 ZINC000150732103 378268714 /nfs/dbraw/zinc/26/87/14/378268714.db2.gz OGACGVPKCDPAKN-UHFFFAOYSA-N 0 3 259.349 2.741 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)C(C)C ZINC000151820578 378362361 /nfs/dbraw/zinc/36/23/61/378362361.db2.gz MFNHKTGSVOCMKG-UHFFFAOYSA-N 0 3 252.402 2.553 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2(CC(C)C)CCC2)CC1 ZINC000151352759 378319796 /nfs/dbraw/zinc/31/97/96/378319796.db2.gz JEBVWFDUEBXMQW-UHFFFAOYSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H](C)c1cnccn1)C(C)C ZINC000152069368 378389603 /nfs/dbraw/zinc/38/96/03/378389603.db2.gz CHVSLCBRXSSWFL-WBVHZDCISA-N 0 3 288.439 2.826 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000329218444 378448762 /nfs/dbraw/zinc/44/87/62/378448762.db2.gz RTMZCLWBKOAIPP-SWLSCSKDSA-N 0 3 281.400 2.574 20 30 CFEDHN Cc1cnc(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)nc1 ZINC000328827852 378429297 /nfs/dbraw/zinc/42/92/97/378429297.db2.gz IRGIHKDIDGFFSZ-MCIONIFRSA-N 0 3 290.411 2.545 20 30 CFEDHN C[C@H](C(=O)NCC1CCCCC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329672738 378479466 /nfs/dbraw/zinc/47/94/66/378479466.db2.gz URWDOMCUWJKESK-OEAJRASXSA-N 0 3 294.439 2.614 20 30 CFEDHN C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)CN1C1CC1 ZINC000329705760 378484762 /nfs/dbraw/zinc/48/47/62/378484762.db2.gz JOBKQQVJDOTVFA-SWLSCSKDSA-N 0 3 296.418 2.869 20 30 CFEDHN C[C@H](CCC1CC1)[NH+]=C([O-])NC[C@@H]1CCc2nccn2C1 ZINC000329907008 378510785 /nfs/dbraw/zinc/51/07/85/378510785.db2.gz KNNMWASDFRIYNQ-OCCSQVGLSA-N 0 3 290.411 2.528 20 30 CFEDHN CC(C)n1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cn1 ZINC000329901862 378511162 /nfs/dbraw/zinc/51/11/62/378511162.db2.gz OYBLGXHAUNMMOD-CQSZACIVSA-N 0 3 290.411 2.786 20 30 CFEDHN N#CC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCC1 ZINC000329947143 378516761 /nfs/dbraw/zinc/51/67/61/378516761.db2.gz JWSDBWJVLSKJCI-ZDUSSCGKSA-N 0 3 261.369 2.654 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000330445193 378557807 /nfs/dbraw/zinc/55/78/07/378557807.db2.gz DEYAAPUABAWSIM-QLFBSQMISA-N 0 3 278.396 2.732 20 30 CFEDHN CCN(CC)C(=O)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000154341895 378560136 /nfs/dbraw/zinc/56/01/36/378560136.db2.gz MQLQNCQRVMUNSM-KGLIPLIRSA-N 0 3 287.407 2.856 20 30 CFEDHN CNC(=O)c1cccc(CN[C@H](C)[C@@]2(C)CCCO2)c1 ZINC000330489579 378569811 /nfs/dbraw/zinc/56/98/11/378569811.db2.gz MAGJJKDLMYDGRA-MLGOLLRUSA-N 0 3 276.380 2.668 20 30 CFEDHN CCOc1cccnc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000331099215 378632544 /nfs/dbraw/zinc/63/25/44/378632544.db2.gz APBUKVRBZUYTNE-CYBMUJFWSA-N 0 3 291.395 2.517 20 30 CFEDHN CCC1CCC(N(C)CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330606336 378589877 /nfs/dbraw/zinc/58/98/77/378589877.db2.gz IOGOMZYPZPITOU-UHFFFAOYSA-N 0 3 297.443 2.716 20 30 CFEDHN COCCN(Cc1ccc(C#N)cn1)[C@H]1CCC[C@H]1C ZINC000571816177 383730184 /nfs/dbraw/zinc/73/01/84/383730184.db2.gz RTABSTKKCZKLMX-CJNGLKHVSA-N 0 3 273.380 2.590 20 30 CFEDHN C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C(C)(C)C1 ZINC000331009160 378614962 /nfs/dbraw/zinc/61/49/62/378614962.db2.gz REWRAGFEQZFAQV-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(C#N)c2)n1 ZINC000155396879 378625330 /nfs/dbraw/zinc/62/53/30/378625330.db2.gz JLTAZZIOEJHVPK-GFCCVEGCSA-N 0 3 282.328 2.569 20 30 CFEDHN CC#CCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000157976129 378662604 /nfs/dbraw/zinc/66/26/04/378662604.db2.gz PYHOKQJNQDAYTR-UHFFFAOYSA-N 0 3 285.313 2.952 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331284872 378663017 /nfs/dbraw/zinc/66/30/17/378663017.db2.gz KYUNCHUKEXBIKN-ZENOOKHLSA-N 0 3 288.391 2.548 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000331291932 378664444 /nfs/dbraw/zinc/66/44/44/378664444.db2.gz PSGOHKFKPUUPJX-HEHGZKQESA-N 0 3 288.391 2.548 20 30 CFEDHN CC#CCCNCc1ccc(OC)c(OC)c1Cl ZINC000158344229 378668155 /nfs/dbraw/zinc/66/81/55/378668155.db2.gz VNJANLJNNVIYDV-UHFFFAOYSA-N 0 3 267.756 2.860 20 30 CFEDHN CC(C)[C@@H](O)C(C)(C)CNCc1ccc(C#N)s1 ZINC000159058911 378683940 /nfs/dbraw/zinc/68/39/40/378683940.db2.gz HKAIAAYBFNWPHY-CYBMUJFWSA-N 0 3 266.410 2.752 20 30 CFEDHN CC#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000156787292 378646450 /nfs/dbraw/zinc/64/64/50/378646450.db2.gz NLPHTBLHKGJXOL-UONOGXRCSA-N 0 3 280.412 2.777 20 30 CFEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000156991415 378649533 /nfs/dbraw/zinc/64/95/33/378649533.db2.gz MMSFUXCFVFDBHU-PBHICJAKSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000332255001 378740000 /nfs/dbraw/zinc/74/00/00/378740000.db2.gz CTOPXDXUGNVPNZ-WFASDCNBSA-N 0 3 281.363 2.617 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000332255001 378740002 /nfs/dbraw/zinc/74/00/02/378740002.db2.gz CTOPXDXUGNVPNZ-WFASDCNBSA-N 0 3 281.363 2.617 20 30 CFEDHN CC(C)N(CC#Cc1cccc(Cl)c1)C[C@@H](C)O ZINC000160071880 378747213 /nfs/dbraw/zinc/74/72/13/378747213.db2.gz XKBOXODWRRNOPV-CYBMUJFWSA-N 0 3 265.784 2.783 20 30 CFEDHN C=C(C)CNC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000161211261 378830525 /nfs/dbraw/zinc/83/05/25/378830525.db2.gz VAMJXGBQUFUUDI-INIZCTEOSA-N 0 3 289.423 2.727 20 30 CFEDHN Cc1nsc(NC2CCN(C3CCC3)CC2)c1C#N ZINC000333638873 378840227 /nfs/dbraw/zinc/84/02/27/378840227.db2.gz BTAFMEDUOZUFOY-UHFFFAOYSA-N 0 3 276.409 2.752 20 30 CFEDHN N#CC1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCCCC1 ZINC000334155622 378899688 /nfs/dbraw/zinc/89/96/88/378899688.db2.gz VUYIPADOAHOOGE-CQSZACIVSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CC1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CCCCC1 ZINC000334155621 378899853 /nfs/dbraw/zinc/89/98/53/378899853.db2.gz VUYIPADOAHOOGE-AWEZNQCLSA-N 0 3 289.423 2.594 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCc2ccc(OC)cc2C1 ZINC000163369193 378968320 /nfs/dbraw/zinc/96/83/20/378968320.db2.gz IIHINSDOEBOEMZ-CYBMUJFWSA-N 0 3 251.757 2.895 20 30 CFEDHN CC[C@H](CSC)NCc1ccc(C#N)cc1F ZINC000163866110 378993891 /nfs/dbraw/zinc/99/38/91/378993891.db2.gz AXJKYAYOSOBJFX-GFCCVEGCSA-N 0 3 252.358 2.929 20 30 CFEDHN C=C(C)CN1CCC(n2cc(Br)cn2)CC1 ZINC000335307391 379052496 /nfs/dbraw/zinc/05/24/96/379052496.db2.gz QTZXVUMZKXPFBP-UHFFFAOYSA-N 0 3 284.201 2.859 20 30 CFEDHN C#CC[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000278685623 194101292 /nfs/dbraw/zinc/10/12/92/194101292.db2.gz HCGVQVHVOFGEIR-SFHVURJKSA-N 0 3 296.414 2.742 20 30 CFEDHN CCC(=O)N1CC[C@H](N[C@H](CC)c2ccc(C#N)cc2)C1 ZINC000278735577 194129046 /nfs/dbraw/zinc/12/90/46/194129046.db2.gz NAZSNOPHAIUTCN-JKSUJKDBSA-N 0 3 285.391 2.610 20 30 CFEDHN N#Cc1ccccc1CSCCNCc1cccnc1 ZINC000170670606 379136325 /nfs/dbraw/zinc/13/63/25/379136325.db2.gz WUCOGAWPEZPNTJ-UHFFFAOYSA-N 0 3 283.400 2.976 20 30 CFEDHN Cc1ccccc1[C@@]1(F)CCN(C(=O)C(C)C#N)C1 ZINC000334374846 379183731 /nfs/dbraw/zinc/18/37/31/379183731.db2.gz DADOJNRAIBFFFJ-SWLSCSKDSA-N 0 3 260.312 2.552 20 30 CFEDHN Cc1n[nH]cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334445516 379312484 /nfs/dbraw/zinc/31/24/84/379312484.db2.gz OLHXLSGDWYKSAJ-MRXNPFEDSA-N 0 3 266.348 2.757 20 30 CFEDHN C=CCN1CCC(NC(=O)c2sccc2CC)CC1 ZINC000171715561 379383485 /nfs/dbraw/zinc/38/34/85/379383485.db2.gz DSNURJMBJOZXNI-UHFFFAOYSA-N 0 3 278.421 2.691 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccccc2SC)CC1 ZINC000171726483 379387972 /nfs/dbraw/zinc/38/79/72/379387972.db2.gz XNACDTDIRSJSGS-UHFFFAOYSA-N 0 3 290.432 2.789 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000334470972 379358082 /nfs/dbraw/zinc/35/80/82/379358082.db2.gz GJOWHLQOXRMJMJ-QGZVFWFLSA-N 0 3 270.376 2.951 20 30 CFEDHN CC(=O)c1ccc2c(c1)CCN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000334473216 379361224 /nfs/dbraw/zinc/36/12/24/379361224.db2.gz IYOZHIVFVVJGKB-RDTXWAMCSA-N 0 3 282.387 2.982 20 30 CFEDHN C=CCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334514184 379430829 /nfs/dbraw/zinc/43/08/29/379430829.db2.gz UBMKFPXZQAIOKE-NSHDSACASA-N 0 3 263.303 2.853 20 30 CFEDHN CCCN(Cc1ccc(C#N)cn1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000571891951 383736580 /nfs/dbraw/zinc/73/65/80/383736580.db2.gz OQNJYWNZNBBYAA-BBWFWOEESA-N 0 3 299.418 2.979 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@]2(CCOC2)C1 ZINC000451911916 383736821 /nfs/dbraw/zinc/73/68/21/383736821.db2.gz RGCJXUSBEYWDHU-QGZVFWFLSA-N 0 3 286.375 2.569 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000264424991 383738049 /nfs/dbraw/zinc/73/80/49/383738049.db2.gz XWAZZOPMEHDHDA-UHFFFAOYSA-N 0 3 298.390 2.720 20 30 CFEDHN Cn1cc(CN2CCSC3(CCC3)CC2)cc1C#N ZINC000335640901 379644570 /nfs/dbraw/zinc/64/45/70/379644570.db2.gz DKHYXTCEINTSJK-UHFFFAOYSA-N 0 3 275.421 2.758 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000335699124 379743754 /nfs/dbraw/zinc/74/37/54/379743754.db2.gz BSPZBYNNGYYOCG-AWEZNQCLSA-N 0 3 282.318 2.660 20 30 CFEDHN Cn1cc(CN2CCC[C@@]3(CCSC3)C2)cc1C#N ZINC000334673987 379746976 /nfs/dbraw/zinc/74/69/76/379746976.db2.gz DOEFZQIZPGKUER-OAHLLOKOSA-N 0 3 275.421 2.616 20 30 CFEDHN COc1ccc(C)cc1CCNCc1ccc(C#N)o1 ZINC000174248770 379850847 /nfs/dbraw/zinc/85/08/47/379850847.db2.gz QYHRNDQKHWERRL-UHFFFAOYSA-N 0 3 270.332 2.801 20 30 CFEDHN N#Cc1ccc(CNCCc2c(F)cccc2F)o1 ZINC000174280321 379857801 /nfs/dbraw/zinc/85/78/01/379857801.db2.gz JBEHZFKOWOVKOM-UHFFFAOYSA-N 0 3 262.259 2.762 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000335082122 379969601 /nfs/dbraw/zinc/96/96/01/379969601.db2.gz CKPYKUGKYUBSQU-AWEZNQCLSA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C#N)C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC000335112189 379976417 /nfs/dbraw/zinc/97/64/17/379976417.db2.gz WQJCYBRUQKDBEF-LBPRGKRZSA-N 0 3 291.782 2.538 20 30 CFEDHN Cc1cc(CN[C@H]2CCCc3c2cnn3C)ccc1C#N ZINC000335819220 379942376 /nfs/dbraw/zinc/94/23/76/379942376.db2.gz BNBUFWJKEDWIEJ-INIZCTEOSA-N 0 3 280.375 2.767 20 30 CFEDHN Cn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cc1C#N ZINC000334952575 379947351 /nfs/dbraw/zinc/94/73/51/379947351.db2.gz QNTQCENIAJDQPW-SFHVURJKSA-N 0 3 290.370 2.936 20 30 CFEDHN CC(C)[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000335825692 379952642 /nfs/dbraw/zinc/95/26/42/379952642.db2.gz KXPCCJCXIMFTLO-AWEZNQCLSA-N 0 3 268.364 2.684 20 30 CFEDHN COc1ccccc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000335143299 379982396 /nfs/dbraw/zinc/98/23/96/379982396.db2.gz JCKQBDZEASRUNR-WCQYABFASA-N 0 3 258.321 2.518 20 30 CFEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN1CC ZINC000175374079 380054209 /nfs/dbraw/zinc/05/42/09/380054209.db2.gz MCODEMJSOLRNKH-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=C(C)CN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175380733 380054252 /nfs/dbraw/zinc/05/42/52/380054252.db2.gz XLDISFDQHCPLFM-PXAZEXFGSA-N 0 3 251.395 2.993 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000335899486 380074539 /nfs/dbraw/zinc/07/45/39/380074539.db2.gz OROAGHYAWOPHCC-CVEARBPZSA-N 0 3 264.413 2.533 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000175865281 380146307 /nfs/dbraw/zinc/14/63/07/380146307.db2.gz MKPGXIJDEGWWOA-CFZJUORYSA-N 0 3 296.461 2.789 20 30 CFEDHN C[C@@H]1[C@H](C)N(CC#Cc2ccc(Cl)cc2)CCN1C ZINC000336126058 380271455 /nfs/dbraw/zinc/27/14/55/380271455.db2.gz RGPREDLFMUESNR-KGLIPLIRSA-N 0 3 276.811 2.716 20 30 CFEDHN CC1(C#N)CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000336071160 380260324 /nfs/dbraw/zinc/26/03/24/380260324.db2.gz FJAYMJVYLJXQKF-CQSZACIVSA-N 0 3 250.386 2.553 20 30 CFEDHN Cn1nccc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000336083440 380264237 /nfs/dbraw/zinc/26/42/37/380264237.db2.gz XMPIZMMKUWEJPN-KRWDZBQOSA-N 0 3 280.375 2.849 20 30 CFEDHN Cc1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1C ZINC000335999389 380217300 /nfs/dbraw/zinc/21/73/00/380217300.db2.gz YAXSBYNEQIFGPF-AWEZNQCLSA-N 0 3 286.375 2.833 20 30 CFEDHN C[C@H]1CN(Cc2cccc(F)c2C#N)CCN(C2CC2)C1 ZINC000336256573 380299381 /nfs/dbraw/zinc/29/93/81/380299381.db2.gz FILOTCDZCCLOPF-ZDUSSCGKSA-N 0 3 287.382 2.613 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000336295433 380310143 /nfs/dbraw/zinc/31/01/43/380310143.db2.gz VWLKADKDMNRGHA-ZDUSSCGKSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1cccc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000177946214 380395934 /nfs/dbraw/zinc/39/59/34/380395934.db2.gz YGZBBGUTSNWTHJ-IPELMVKDSA-N 0 3 295.430 2.864 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177544542 380353505 /nfs/dbraw/zinc/35/35/05/380353505.db2.gz BBYBXNCRKNFRPF-DZKIICNBSA-N 0 3 272.392 2.555 20 30 CFEDHN Cn1cc(CN[C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000336526912 380415504 /nfs/dbraw/zinc/41/55/04/380415504.db2.gz DHPARHSLAHMOOZ-KRWDZBQOSA-N 0 3 280.375 2.849 20 30 CFEDHN COCCO[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000179342290 380532721 /nfs/dbraw/zinc/53/27/21/380532721.db2.gz AAWSQIMLEDSWLB-YOEHRIQHSA-N 0 3 288.391 2.747 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)CC(C)(C)C ZINC000636235640 383747338 /nfs/dbraw/zinc/74/73/38/383747338.db2.gz IDPDYPHNWJPCHQ-OKILXGFUSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(CCCC)cc1 ZINC000180034260 380611496 /nfs/dbraw/zinc/61/14/96/380611496.db2.gz BTZAUVOQLPPYPA-CQSZACIVSA-N 0 3 274.408 2.982 20 30 CFEDHN CCCC[C@@H](COC)NCc1ccc(OCC#N)cc1 ZINC000180553388 380676400 /nfs/dbraw/zinc/67/64/00/380676400.db2.gz FZDUJVDVEAWTIO-HNNXBMFYSA-N 0 3 276.380 2.884 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000180892106 380709991 /nfs/dbraw/zinc/70/99/91/380709991.db2.gz XAJVZQZZFWEVDK-CABCVRRESA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCN1CC ZINC000180642708 380686400 /nfs/dbraw/zinc/68/64/00/380686400.db2.gz TYYGHMKFALEBQY-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000180678402 380689939 /nfs/dbraw/zinc/68/99/39/380689939.db2.gz CKFLXPMDPXYEQJ-UHFFFAOYSA-N 0 3 288.395 2.557 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000181007864 380723956 /nfs/dbraw/zinc/72/39/56/380723956.db2.gz BUOYVKLQQARPQL-KRWDZBQOSA-N 0 3 290.382 2.949 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000181090705 380736829 /nfs/dbraw/zinc/73/68/29/380736829.db2.gz RNWDTSHHQNAKTI-ILXRZTDVSA-N 0 3 281.444 2.713 20 30 CFEDHN COc1ccccc1[C@H](O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000181549776 380823192 /nfs/dbraw/zinc/82/31/92/380823192.db2.gz VBAYKWAGHWZPRY-CXAGYDPISA-N 0 3 296.370 2.951 20 30 CFEDHN COC[C@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000181700613 380867145 /nfs/dbraw/zinc/86/71/45/380867145.db2.gz KRJRPAFSMJYGIQ-KRWDZBQOSA-N 0 3 296.370 2.914 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccccc1OC(F)(F)F ZINC000341255666 380869688 /nfs/dbraw/zinc/86/96/88/380869688.db2.gz HOXIBIUHSQCKPQ-NSHDSACASA-N 0 3 289.297 2.859 20 30 CFEDHN C[C@@H](NC(=O)c1ccc(C#N)o1)[C@H](c1ccccc1)N(C)C ZINC000347006812 380869923 /nfs/dbraw/zinc/86/99/23/380869923.db2.gz BPMHSKAETPRQCF-MLGOLLRUSA-N 0 3 297.358 2.572 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccccc1OC(C)C ZINC000341255130 380869982 /nfs/dbraw/zinc/86/99/82/380869982.db2.gz GZQOXNLBKJNJKN-AWEZNQCLSA-N 0 3 263.381 2.748 20 30 CFEDHN C=CCN(C[C@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000347008490 380874495 /nfs/dbraw/zinc/87/44/95/380874495.db2.gz DUBLNSXWFQEDTN-OAHLLOKOSA-N 0 3 265.784 2.894 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccccc1C#N ZINC000347012221 380877572 /nfs/dbraw/zinc/87/75/72/380877572.db2.gz VLHMZSUKWMFRBN-IOASZLSFSA-N 0 3 258.365 2.540 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1oc2ccccc2c1CC ZINC000295421150 380844834 /nfs/dbraw/zinc/84/48/34/380844834.db2.gz IRTWAVPTJSPSQG-UHFFFAOYSA-N 0 3 298.386 2.680 20 30 CFEDHN CC#CCCN(C)C[C@H](O)c1ccccc1Br ZINC000295449757 380861898 /nfs/dbraw/zinc/86/18/98/380861898.db2.gz XFTJVNBTSCAZLB-AWEZNQCLSA-N 0 3 296.208 2.828 20 30 CFEDHN CCC[C@H](CNCc1ccc(C#N)c(F)c1)OC ZINC000404062684 380897623 /nfs/dbraw/zinc/89/76/23/380897623.db2.gz IQNPPMJIIKQWFV-CYBMUJFWSA-N 0 3 250.317 2.602 20 30 CFEDHN N#Cc1ccc(OCCN2C[C@H]3CCCC[C@H]32)cc1 ZINC000368102628 380924553 /nfs/dbraw/zinc/92/45/53/380924553.db2.gz ZDZOAHXXBKIRHF-GDBMZVCRSA-N 0 3 256.349 2.811 20 30 CFEDHN Cn1nccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353912257 380950865 /nfs/dbraw/zinc/95/08/65/380950865.db2.gz FKIPGIIUELXTGW-INIZCTEOSA-N 0 3 268.364 2.945 20 30 CFEDHN C[C@H](NCCc1ccncc1)c1ccc(C#N)cc1F ZINC000358597715 380960896 /nfs/dbraw/zinc/96/08/96/380960896.db2.gz XCZJWXRJJHYRRL-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN Cc1ccnc(N2CCC[C@H](N3CCCCC3)C2)c1C#N ZINC000368235234 380964894 /nfs/dbraw/zinc/96/48/94/380964894.db2.gz OCGFTVVRFVVJPJ-HNNXBMFYSA-N 0 3 284.407 2.716 20 30 CFEDHN C=C(CC)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000358622403 380974020 /nfs/dbraw/zinc/97/40/20/380974020.db2.gz DVZZNPMOQXXXMH-OAHLLOKOSA-N 0 3 291.370 2.988 20 30 CFEDHN C=CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000287947663 380978965 /nfs/dbraw/zinc/97/89/65/380978965.db2.gz HOIVZYDAAHUCRE-HIFRSBDPSA-N 0 3 275.396 2.505 20 30 CFEDHN C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)c1ccc(C#N)cc1F ZINC000358569077 380936323 /nfs/dbraw/zinc/93/63/23/380936323.db2.gz LQFSGWXIFNMVSY-PEBVRCNWSA-N 0 3 287.382 2.831 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358570670 380936767 /nfs/dbraw/zinc/93/67/67/380936767.db2.gz NPCIYESBPZBQKW-VXGBXAGGSA-N 0 3 272.327 2.633 20 30 CFEDHN C[C@H](Cn1ccnc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358569929 380937428 /nfs/dbraw/zinc/93/74/28/380937428.db2.gz MSPQBONMESBRQY-NEPJUHHUSA-N 0 3 272.327 2.633 20 30 CFEDHN CC[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358569958 380937640 /nfs/dbraw/zinc/93/76/40/380937640.db2.gz MUAQANASPHRYSJ-YGRLFVJLSA-N 0 3 250.317 2.509 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)CCC=C(C)C)CC1 ZINC000295678446 381011659 /nfs/dbraw/zinc/01/16/59/381011659.db2.gz SMOXPTATPVTNJR-OAHLLOKOSA-N 0 3 276.424 2.583 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CCC)CCC ZINC000411163278 381012038 /nfs/dbraw/zinc/01/20/38/381012038.db2.gz DYDHFMZNONMBOR-CQSZACIVSA-N 0 3 252.402 2.698 20 30 CFEDHN N#CC1(CCN2CCSC[C@H]2CCO)CCCCC1 ZINC000411316142 381023836 /nfs/dbraw/zinc/02/38/36/381023836.db2.gz KSLFPJXYPCMSGH-CQSZACIVSA-N 0 3 282.453 2.650 20 30 CFEDHN N#Cc1ccccc1CNC1(C2CC2)CCOCC1 ZINC000368367082 381002041 /nfs/dbraw/zinc/00/20/41/381002041.db2.gz LLUPYQGCHWXIAO-UHFFFAOYSA-N 0 3 256.349 2.607 20 30 CFEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc(C#N)c(F)c4)[C@H]1[C@H]3C2 ZINC000368508892 381049597 /nfs/dbraw/zinc/04/95/97/381049597.db2.gz VUSLQHZRRGHZEY-CUINURIISA-N 0 3 286.350 2.553 20 30 CFEDHN C#C[C@H](C)NCc1ccc(C)cc1-c1cnn(C)c1 ZINC000289628103 381074554 /nfs/dbraw/zinc/07/45/54/381074554.db2.gz WRLISIFQMKCGHJ-ZDUSSCGKSA-N 0 3 253.349 2.507 20 30 CFEDHN C[C@H](CNc1nccc(C#N)c1Cl)N1CCC[C@@H](C)C1 ZINC000341532160 381069169 /nfs/dbraw/zinc/06/91/69/381069169.db2.gz NQWXYEJAWBQEHT-VXGBXAGGSA-N 0 3 292.814 2.561 20 30 CFEDHN Cc1nnc(CCN[C@@H](C)c2cccc(C#N)c2)s1 ZINC000289627958 381074998 /nfs/dbraw/zinc/07/49/98/381074998.db2.gz FBIODCXBOHQELA-JTQLQIEISA-N 0 3 272.377 2.612 20 30 CFEDHN Cc1ccnc2ccc(C(=O)C(C#N)c3ccncn3)cc12 ZINC000354044698 381044307 /nfs/dbraw/zinc/04/43/07/381044307.db2.gz LUQRYBMPRYRKCN-AWEZNQCLSA-N 0 3 288.310 2.823 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cccc(Br)c1 ZINC000289638787 381081190 /nfs/dbraw/zinc/08/11/90/381081190.db2.gz FPTGGEGOJDSHJV-BXKDBHETSA-N 0 3 270.170 2.647 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCSc2cc(C)c(C)cc21 ZINC000289682783 381100294 /nfs/dbraw/zinc/10/02/94/381100294.db2.gz HTYYPYPXBAOKFC-OCCSQVGLSA-N 0 3 263.406 2.977 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC)[C@@H](C)C(C)C)CC1 ZINC000358826269 381108612 /nfs/dbraw/zinc/10/86/12/381108612.db2.gz HNHHTPBHSYIYKJ-AWEZNQCLSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](CCC)C1 ZINC000341602524 381116328 /nfs/dbraw/zinc/11/63/28/381116328.db2.gz CWTAPJUUMBLCGC-OAHLLOKOSA-N 0 3 264.413 2.699 20 30 CFEDHN CCCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182594234 381117174 /nfs/dbraw/zinc/11/71/74/381117174.db2.gz DLULIVSJGRIMPN-INIZCTEOSA-N 0 3 285.391 2.786 20 30 CFEDHN C[C@H](CSc1nc2c(cc1C#N)CCCC2)N(C)C ZINC000358849389 381121094 /nfs/dbraw/zinc/12/10/94/381121094.db2.gz CHIINUAPRZPOHC-LLVKDONJSA-N 0 3 275.421 2.874 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000289756587 381138688 /nfs/dbraw/zinc/13/86/88/381138688.db2.gz LKAPTHGIZWGEAS-GWCFXTLKSA-N 0 3 289.404 2.711 20 30 CFEDHN CC1(C)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182816401 381165752 /nfs/dbraw/zinc/16/57/52/381165752.db2.gz IYRNYBGQCZXVSK-INIZCTEOSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@@H]1[C@@H](C)CCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182824973 381166431 /nfs/dbraw/zinc/16/64/31/381166431.db2.gz BLQDWYJEIFFSAI-JJRVBVJISA-N 0 3 297.402 2.784 20 30 CFEDHN C=C[C@@H](CO)N[C@H](CC)c1ccc(OC(F)F)cc1 ZINC000289729113 381124595 /nfs/dbraw/zinc/12/45/95/381124595.db2.gz KAGSXKUBQGUXMY-WCQYABFASA-N 0 3 271.307 2.876 20 30 CFEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)CCC1(F)F ZINC000289827172 381177022 /nfs/dbraw/zinc/17/70/22/381177022.db2.gz OLAAYRWQCOAISI-GFCCVEGCSA-N 0 3 280.318 2.914 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccnc1 ZINC000182884119 381179555 /nfs/dbraw/zinc/17/95/55/381179555.db2.gz PJDWYUMBCYQFRL-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OCCCC)c(OC)c1 ZINC000289852430 381187909 /nfs/dbraw/zinc/18/79/09/381187909.db2.gz NXNSTTJUUCSRIQ-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](CC)OC)cc1OC ZINC000289876458 381197272 /nfs/dbraw/zinc/19/72/72/381197272.db2.gz RNCWDPWECRFAJC-CQSZACIVSA-N 0 3 279.380 2.775 20 30 CFEDHN C=CC[C@H]1N(C[C@@H]2CCCS(=O)(=O)C2)CCCC1(C)C ZINC000342169007 381218706 /nfs/dbraw/zinc/21/87/06/381218706.db2.gz OYKFZWPIFIBQJU-LSDHHAIUSA-N 0 3 299.480 2.878 20 30 CFEDHN C=C[C@H](CO)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC000289914698 381216152 /nfs/dbraw/zinc/21/61/52/381216152.db2.gz RYSRMJLSIJKHCF-GFCCVEGCSA-N 0 3 271.307 2.541 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000289990155 381251040 /nfs/dbraw/zinc/25/10/40/381251040.db2.gz YKPMUVUGKAEEKS-JQWIXIFHSA-N 0 3 273.298 2.773 20 30 CFEDHN C=CCOc1cccc(CNC[C@@H](CO)c2cccnc2)c1 ZINC000342294617 381255551 /nfs/dbraw/zinc/25/55/51/381255551.db2.gz IDSSMUJOEKAFDO-KRWDZBQOSA-N 0 3 298.386 2.512 20 30 CFEDHN C#C[C@@H](NCc1ccc(N2CCCC2)nc1)C(C)(C)C ZINC000290009611 381259631 /nfs/dbraw/zinc/25/96/31/381259631.db2.gz DMNSHQNUAGFTEX-OAHLLOKOSA-N 0 3 271.408 2.819 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1 ZINC000342225255 381222494 /nfs/dbraw/zinc/22/24/94/381222494.db2.gz NHEUWRPCZKQSCY-STQMWFEESA-N 0 3 253.292 2.995 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000359030989 381224674 /nfs/dbraw/zinc/22/46/74/381224674.db2.gz PHNGRFWVSKEOBU-WMLDXEAASA-N 0 3 299.418 3.000 20 30 CFEDHN C=C[C@@H](CO)NC/C(C)=C/c1ccccc1OC(F)F ZINC000289949396 381230458 /nfs/dbraw/zinc/23/04/58/381230458.db2.gz UVERTLGQCFLWIP-YKWSONSWSA-N 0 3 283.318 2.828 20 30 CFEDHN C=C[C@H](CO)NC/C(C)=C/c1ccccc1OC(F)F ZINC000289949389 381230518 /nfs/dbraw/zinc/23/05/18/381230518.db2.gz UVERTLGQCFLWIP-RUNBWSAHSA-N 0 3 283.318 2.828 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000342257935 381233407 /nfs/dbraw/zinc/23/34/07/381233407.db2.gz YJKWGFCBJZKSAD-ZIAGYGMSSA-N 0 3 276.355 2.586 20 30 CFEDHN COc1cc(C)nc(CNCC(C)(C)CCC#N)c1 ZINC000342282475 381246744 /nfs/dbraw/zinc/24/67/44/381246744.db2.gz GQHFPSZZQCYDNO-UHFFFAOYSA-N 0 3 261.369 2.818 20 30 CFEDHN C[C@@H](c1ccccc1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000369389305 381249330 /nfs/dbraw/zinc/24/93/30/381249330.db2.gz NTFPEWZTUYUGLD-ZDUSSCGKSA-N 0 3 281.363 2.548 20 30 CFEDHN CN1CC[C@H](CNc2nccnc2C#N)[C@@H]1c1cccs1 ZINC000369561060 381289056 /nfs/dbraw/zinc/28/90/56/381289056.db2.gz MQITYLPLLPGOKK-BXUZGUMPSA-N 0 3 299.403 2.515 20 30 CFEDHN C[C@@H](NCCCC#N)c1cccc(-n2cccn2)c1 ZINC000183603940 381293107 /nfs/dbraw/zinc/29/31/07/381293107.db2.gz INDYRTNNSIUYOK-CYBMUJFWSA-N 0 3 254.337 2.827 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183480545 381278021 /nfs/dbraw/zinc/27/80/21/381278021.db2.gz IWOYXOYQPUDNHE-JKSUJKDBSA-N 0 3 286.419 2.783 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](OC)C(C)(C)C1 ZINC000296290054 381334613 /nfs/dbraw/zinc/33/46/13/381334613.db2.gz ZKFOITUOWYDZNN-INIZCTEOSA-N 0 3 288.391 2.814 20 30 CFEDHN C=CCCCCCCNCc1cnc(N(C)C)nc1 ZINC000290195589 381337684 /nfs/dbraw/zinc/33/76/84/381337684.db2.gz UCAXYDSVWZEGSZ-UHFFFAOYSA-N 0 3 262.401 2.769 20 30 CFEDHN Cc1cc(C#N)cc(N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000342414535 381320124 /nfs/dbraw/zinc/32/01/24/381320124.db2.gz MPZWCKQFZORDFN-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@@H](COC)C1 ZINC000342581201 381412873 /nfs/dbraw/zinc/41/28/73/381412873.db2.gz ISBLTSWQHGYVSP-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](SC)C1 ZINC000296441353 381397265 /nfs/dbraw/zinc/39/72/65/381397265.db2.gz WBJULQROHUTQMV-ZDUSSCGKSA-N 0 3 262.378 2.504 20 30 CFEDHN N#Cc1cccc(CN2CCC(c3cnccn3)CC2)c1 ZINC000370445084 381449637 /nfs/dbraw/zinc/44/96/37/381449637.db2.gz RBVDIPAJFMNCLY-UHFFFAOYSA-N 0 3 278.359 2.728 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359566499 381476616 /nfs/dbraw/zinc/47/66/16/381476616.db2.gz VVDYNSSWWIKRQH-DOTOQJQBSA-N 0 3 276.424 2.699 20 30 CFEDHN COCC1(C#N)CCN(CCCc2cnccc2C)CC1 ZINC000348284377 381478776 /nfs/dbraw/zinc/47/87/76/381478776.db2.gz IHDFUEACGTVCMH-UHFFFAOYSA-N 0 3 287.407 2.575 20 30 CFEDHN Cc1cn[nH]c1CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000290565490 381482841 /nfs/dbraw/zinc/48/28/41/381482841.db2.gz YAEYJQAQPSZKFY-UHFFFAOYSA-N 0 3 296.374 2.633 20 30 CFEDHN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000184653707 381454145 /nfs/dbraw/zinc/45/41/45/381454145.db2.gz FXQBREXDSQIHQU-LBPRGKRZSA-N 0 3 271.364 2.665 20 30 CFEDHN C=CCCC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000359550268 381464059 /nfs/dbraw/zinc/46/40/59/381464059.db2.gz XPHUFEKZCIWBSN-CHWSQXEVSA-N 0 3 264.369 2.791 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2CCCC2)cc1 ZINC000348132420 381464650 /nfs/dbraw/zinc/46/46/50/381464650.db2.gz ZFBXWRQFVMWBCX-KRWDZBQOSA-N 0 3 295.386 2.937 20 30 CFEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000348134342 381464824 /nfs/dbraw/zinc/46/48/24/381464824.db2.gz HCXJLQDKCHCCFN-DZGCQCFKSA-N 0 3 261.340 2.582 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000342740178 381511634 /nfs/dbraw/zinc/51/16/34/381511634.db2.gz QRYZJZFRUROSSG-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(C#N)CCCN[C@H](CO)c1ccc(F)cc1 ZINC000359620031 381512053 /nfs/dbraw/zinc/51/20/53/381512053.db2.gz WAIZXJJTOISALE-CQSZACIVSA-N 0 3 264.344 2.779 20 30 CFEDHN C=CCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000370917434 381513765 /nfs/dbraw/zinc/51/37/65/381513765.db2.gz NDPIHDHBXXZIBI-NVXWUHKLSA-N 0 3 272.392 2.687 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1CF ZINC000359595213 381494948 /nfs/dbraw/zinc/49/49/48/381494948.db2.gz LHHVAOLBMHYLOL-LSDHHAIUSA-N 0 3 274.339 2.719 20 30 CFEDHN COC[C@@H](NC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000342786760 381539364 /nfs/dbraw/zinc/53/93/64/381539364.db2.gz SZXDSXOJMQYGEU-OAHLLOKOSA-N 0 3 256.349 2.562 20 30 CFEDHN CC#CCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000185094441 381534099 /nfs/dbraw/zinc/53/40/99/381534099.db2.gz PYEMWFVSSRBXLB-UHFFFAOYSA-N 0 3 298.430 2.745 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)[C@@H](CC)N(CC)CC ZINC000359714688 381574879 /nfs/dbraw/zinc/57/48/79/381574879.db2.gz BOWYIRSBKPRYGH-MRXNPFEDSA-N 0 3 292.423 2.957 20 30 CFEDHN C=CCCC1(C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000359719293 381576764 /nfs/dbraw/zinc/57/67/64/381576764.db2.gz PWKHRVYVLNCUOH-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000342808977 381556357 /nfs/dbraw/zinc/55/63/57/381556357.db2.gz SPUYMRAILHDREX-XJKSGUPXSA-N 0 3 281.403 2.762 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348415322 381559664 /nfs/dbraw/zinc/55/96/64/381559664.db2.gz YWUNKBXNVYDWSG-GJZGRUSLSA-N 0 3 276.428 2.833 20 30 CFEDHN C=C(CC)CN[C@H](C)Cn1cc(Br)ccc1=O ZINC000414138856 381564477 /nfs/dbraw/zinc/56/44/77/381564477.db2.gz FVFGKDBVYVNGHZ-LLVKDONJSA-N 0 3 299.212 2.555 20 30 CFEDHN CCOC1(C)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000298376652 381599129 /nfs/dbraw/zinc/59/91/29/381599129.db2.gz VHIOHXGKEBNQKY-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN CCN(C)C(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000371329500 381590114 /nfs/dbraw/zinc/59/01/14/381590114.db2.gz JTYPXGHKUUUIIL-UHFFFAOYSA-N 0 3 297.402 2.516 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](CO)[C@H]2C)cc1 ZINC000414564337 381595688 /nfs/dbraw/zinc/59/56/88/381595688.db2.gz DJSIGYORNOKWLG-GDBMZVCRSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355124844 381628840 /nfs/dbraw/zinc/62/88/40/381628840.db2.gz LNYDJNOMGPRVCZ-OAHLLOKOSA-N 0 3 284.407 2.820 20 30 CFEDHN CC(C)(C)C(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000371403076 381616475 /nfs/dbraw/zinc/61/64/75/381616475.db2.gz IZIJPRQLQYAYSR-UHFFFAOYSA-N 0 3 293.455 2.897 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H]2CCC[C@H]21 ZINC000355117693 381623314 /nfs/dbraw/zinc/62/33/14/381623314.db2.gz ZIZMXFIQHXTFLS-UKRRQHHQSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1OC ZINC000348562451 381637539 /nfs/dbraw/zinc/63/75/39/381637539.db2.gz ZGUIXGYOOJTGIN-LSDHHAIUSA-N 0 3 291.391 2.605 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H](O)c2ccccc2)s1 ZINC000289181635 197255857 /nfs/dbraw/zinc/25/58/57/197255857.db2.gz AOJLIHUAEACYLS-OAHLLOKOSA-N 0 3 272.373 2.833 20 30 CFEDHN CCN1CCC(Nc2nc(C)c(C#N)cc2Cl)CC1 ZINC000291011010 381630483 /nfs/dbraw/zinc/63/04/83/381630483.db2.gz UWLNALUZYBYGAQ-UHFFFAOYSA-N 0 3 278.787 2.811 20 30 CFEDHN C=CCOc1cccc(CN2CCN(CC)C[C@@H]2C)c1 ZINC000348554568 381632001 /nfs/dbraw/zinc/63/20/01/381632001.db2.gz YTHCKKMMPVUHTB-HNNXBMFYSA-N 0 3 274.408 2.777 20 30 CFEDHN CN(CC(=O)NCc1ccc(C#N)cc1)CC1CCCCC1 ZINC000298479387 381644031 /nfs/dbraw/zinc/64/40/31/381644031.db2.gz TVXFHWICJYUTMS-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN Cc1nc(N2CCCN(C(C)C)CC2)c(Cl)cc1C#N ZINC000359885742 381658153 /nfs/dbraw/zinc/65/81/53/381658153.db2.gz YKCSFPGVAVJDFK-UHFFFAOYSA-N 0 3 292.814 2.836 20 30 CFEDHN CC[C@H]1CN(Cc2cccc(OCCCC#N)c2)C[C@@H]1O ZINC000355190282 381664302 /nfs/dbraw/zinc/66/43/02/381664302.db2.gz PNLLKDCJKAWMEB-RDJZCZTQSA-N 0 3 288.391 2.572 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000371533718 381652740 /nfs/dbraw/zinc/65/27/40/381652740.db2.gz JEACEWSCMXDIRV-CABCVRRESA-N 0 3 266.429 2.900 20 30 CFEDHN N#CC(C(=O)NCc1ccco1)c1nccc2ccccc21 ZINC000359923604 381683034 /nfs/dbraw/zinc/68/30/34/381683034.db2.gz LSUYOPQOGQHISH-HNNXBMFYSA-N 0 3 291.310 2.751 20 30 CFEDHN C=CCC[C@@H](O)CN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000371735909 381689313 /nfs/dbraw/zinc/68/93/13/381689313.db2.gz MIQVDMOKNWJFKO-OAHLLOKOSA-N 0 3 297.402 2.979 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2cccc(F)c2)C1 ZINC000185803056 381738449 /nfs/dbraw/zinc/73/84/49/381738449.db2.gz SSNYNFJELQFZJO-GLQYFDAESA-N 0 3 262.328 2.531 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000343478384 381741352 /nfs/dbraw/zinc/74/13/52/381741352.db2.gz QPBRWUOIBIIWEJ-PWSUYJOCSA-N 0 3 292.814 2.834 20 30 CFEDHN CCN(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185816196 381744315 /nfs/dbraw/zinc/74/43/15/381744315.db2.gz DRLNNHIXIKMROF-SJORKVTESA-N 0 3 299.418 2.707 20 30 CFEDHN CCN(Cc1ccccc1)C(=O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185816137 381744339 /nfs/dbraw/zinc/74/43/39/381744339.db2.gz DRLNNHIXIKMROF-DLBZAZTESA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000185826465 381746845 /nfs/dbraw/zinc/74/68/45/381746845.db2.gz NBPMBAWSSLWXEO-XUJVJEKNSA-N 0 3 286.379 2.910 20 30 CFEDHN C#CCSCCN[C@H]1CCCc2c(O)cccc21 ZINC000291321226 381747810 /nfs/dbraw/zinc/74/78/10/381747810.db2.gz UTGDFWSELVDGLY-AWEZNQCLSA-N 0 3 261.390 2.726 20 30 CFEDHN CC(C#N)C(=O)NCCCOc1ccc2ccccc2c1 ZINC000355554632 381781899 /nfs/dbraw/zinc/78/18/99/381781899.db2.gz FLUAFHOFVJDFCO-CYBMUJFWSA-N 0 3 282.343 2.885 20 30 CFEDHN CCC[C@@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000343538817 381782295 /nfs/dbraw/zinc/78/22/95/381782295.db2.gz WBISBLKERQDTMC-NVXWUHKLSA-N 0 3 299.418 2.659 20 30 CFEDHN CC(C)N(Cc1ccc(F)c(C#N)c1)[C@H]1CCOC1 ZINC000291971033 381786371 /nfs/dbraw/zinc/78/63/71/381786371.db2.gz VNVHCPGBEIJMLY-AWEZNQCLSA-N 0 3 262.328 2.697 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952634 381786865 /nfs/dbraw/zinc/78/68/65/381786865.db2.gz HHDUDUVSMNOYHF-HZPDHXFCSA-N 0 3 284.403 2.598 20 30 CFEDHN CC[C@H](c1cccc(OC)c1)N(C)C(=O)C(C)C#N ZINC000360721391 381788483 /nfs/dbraw/zinc/78/84/83/381788483.db2.gz KUDAHQBNRMRYEH-SMDDNHRTSA-N 0 3 260.337 2.764 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1C(=N)NO ZINC000372317037 381789380 /nfs/dbraw/zinc/78/93/80/381789380.db2.gz UNOKWYVLLYLZBY-CYBMUJFWSA-N 0 3 292.770 2.522 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ccc4cc(C#N)ccc4n3)[C@@H]2C1 ZINC000361069250 381800838 /nfs/dbraw/zinc/80/08/38/381800838.db2.gz SIIRRUAGXXPPQL-RHSMWYFYSA-N 0 3 292.386 2.637 20 30 CFEDHN CC#CCCNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000360968229 381796982 /nfs/dbraw/zinc/79/69/82/381796982.db2.gz HYRCRSPFNACCIE-KRWDZBQOSA-N 0 3 273.376 2.747 20 30 CFEDHN CC#CCCNCc1c(F)cccc1N1CCCC1 ZINC000360969968 381797661 /nfs/dbraw/zinc/79/76/61/381797661.db2.gz XCYOTIQZXMLNHF-UHFFFAOYSA-N 0 3 260.356 2.929 20 30 CFEDHN CC(C)CCN(CCC#N)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000360110055 381764576 /nfs/dbraw/zinc/76/45/76/381764576.db2.gz KAQZJAXPUAERMR-HUUCEWRRSA-N 0 3 279.428 2.648 20 30 CFEDHN CC(C)CCN(CCC#N)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000360110053 381765016 /nfs/dbraw/zinc/76/50/16/381765016.db2.gz KAQZJAXPUAERMR-GASCZTMLSA-N 0 3 279.428 2.648 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000361351094 381821374 /nfs/dbraw/zinc/82/13/74/381821374.db2.gz JSNLLCYLSMNRPE-UTUOFQBUSA-N 0 3 260.312 2.738 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC2(C#N)CC2)C1 ZINC000361375847 381824446 /nfs/dbraw/zinc/82/44/46/381824446.db2.gz FQPGQEQLPMVZNI-WCVJEAGWSA-N 0 3 276.424 2.942 20 30 CFEDHN CC1(C)[C@@H](O)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000361420983 381828289 /nfs/dbraw/zinc/82/82/89/381828289.db2.gz QQPOEZHMOPRJFW-AWEZNQCLSA-N 0 3 297.320 2.902 20 30 CFEDHN N#CCc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000343600227 381830348 /nfs/dbraw/zinc/83/03/48/381830348.db2.gz FQOFTWOLEKJKEV-UHFFFAOYSA-N 0 3 280.375 2.786 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000361428007 381830473 /nfs/dbraw/zinc/83/04/73/381830473.db2.gz XLKXJDBJXLFJSZ-XIRDDKMYSA-N 0 3 272.392 2.954 20 30 CFEDHN C#CCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000361538766 381840418 /nfs/dbraw/zinc/84/04/18/381840418.db2.gz PEUMZLOZKUJNKC-HNNXBMFYSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000361150940 381805035 /nfs/dbraw/zinc/80/50/35/381805035.db2.gz CPITXXDWEAOQCR-HUUCEWRRSA-N 0 3 274.408 2.776 20 30 CFEDHN N#Cc1ccc(C2=CCN(CCn3cccn3)CC2)cc1 ZINC000372416557 381810294 /nfs/dbraw/zinc/81/02/94/381810294.db2.gz PESCKHBCLLPRLF-UHFFFAOYSA-N 0 3 278.359 2.544 20 30 CFEDHN COC(=O)CCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372420724 381812848 /nfs/dbraw/zinc/81/28/48/381812848.db2.gz NPCRQKXVBVSFCA-UHFFFAOYSA-N 0 3 284.359 2.601 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)CN(CC)CC ZINC000299264846 381877596 /nfs/dbraw/zinc/87/75/96/381877596.db2.gz HTZXCLFGJOFQNI-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)CCN1CCc2ccccc2C1 ZINC000416229630 381883321 /nfs/dbraw/zinc/88/33/21/381883321.db2.gz VPBKLCXDGYSXBF-QGZVFWFLSA-N 0 3 286.419 2.906 20 30 CFEDHN CN(C)[C@@H](CC(=O)N(C)CC(C)(C)C#N)c1ccccc1 ZINC000416243846 381884186 /nfs/dbraw/zinc/88/41/86/381884186.db2.gz UPUJMKVGOZWVJI-HNNXBMFYSA-N 0 3 287.407 2.688 20 30 CFEDHN Cc1cc(N2CC(N(C)Cc3ccccc3)C2)cc(C#N)n1 ZINC000343619258 381846826 /nfs/dbraw/zinc/84/68/26/381846826.db2.gz CGKQLPGRJDVMGA-UHFFFAOYSA-N 0 3 292.386 2.582 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2C(C)=CCC[C@@H]2C)C1=O ZINC000343625517 381850610 /nfs/dbraw/zinc/85/06/10/381850610.db2.gz RLYSTLFCTVCKDW-XHSDSOJGSA-N 0 3 276.424 2.698 20 30 CFEDHN C#CCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000299217785 381862637 /nfs/dbraw/zinc/86/26/37/381862637.db2.gz ILQGXOXQFFCHGF-CQSZACIVSA-N 0 3 257.333 2.618 20 30 CFEDHN COC(=O)c1cc(CNCCc2cccc(C#N)c2)oc1C ZINC000343643950 381863294 /nfs/dbraw/zinc/86/32/94/381863294.db2.gz VUDZHVFWIXTNLW-UHFFFAOYSA-N 0 3 298.342 2.579 20 30 CFEDHN C#CCNC(=O)CCN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000292863307 381871266 /nfs/dbraw/zinc/87/12/66/381871266.db2.gz RSFPARPSEQMQNQ-DZGCQCFKSA-N 0 3 288.391 2.501 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415962634 381871550 /nfs/dbraw/zinc/87/15/50/381871550.db2.gz UDQSDFULMXWJJO-UHFFFAOYSA-N 0 3 291.370 2.901 20 30 CFEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)c1ccccc1 ZINC000292975158 381930706 /nfs/dbraw/zinc/93/07/06/381930706.db2.gz MPTYFTVAUAWQKD-UHFFFAOYSA-N 0 3 282.334 2.793 20 30 CFEDHN C=CCOCCN(C)Cc1cc(OC)c(OC)cc1C ZINC000292952021 381919688 /nfs/dbraw/zinc/91/96/88/381919688.db2.gz BPIXJKAUWQACQA-UHFFFAOYSA-N 0 3 279.380 2.647 20 30 CFEDHN CCCN(CC(=O)NCc1ccc(C#N)cc1)CC(C)C ZINC000299403978 381927595 /nfs/dbraw/zinc/92/75/95/381927595.db2.gz MWGCNOFUOUMACF-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN Cc1csc(CN[C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)n1 ZINC000372921978 381889977 /nfs/dbraw/zinc/88/99/77/381889977.db2.gz AFNYWSBEFKLBCP-DGAVXFQQSA-N 0 3 291.420 2.781 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000372919377 381890133 /nfs/dbraw/zinc/89/01/33/381890133.db2.gz CFKOUXCSWUBGPA-DOMZBBRYSA-N 0 3 286.375 2.750 20 30 CFEDHN COC(=O)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000372919381 381890662 /nfs/dbraw/zinc/89/06/62/381890662.db2.gz CFKOUXCSWUBGPA-SWLSCSKDSA-N 0 3 286.375 2.750 20 30 CFEDHN CC#CCN(C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000293054177 381969222 /nfs/dbraw/zinc/96/92/22/381969222.db2.gz IBHZDFYZFWVILF-BBRMVZONSA-N 0 3 295.810 2.734 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000362156483 381933878 /nfs/dbraw/zinc/93/38/78/381933878.db2.gz YTGGSYADSDFUBE-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCc1cc(CN[C@H](CO)C/C=C\C)cc(OC)c1O ZINC000349854236 381996036 /nfs/dbraw/zinc/99/60/36/381996036.db2.gz VIRJGPSNXUFUMG-VOKGJARPSA-N 0 3 291.391 2.546 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(C)C1CCN(CC)CC1 ZINC000362302163 381999927 /nfs/dbraw/zinc/99/99/27/381999927.db2.gz WVZQQWLRVFJSJU-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN COc1cccc([C@@H](CNc2ccnc(C#N)c2)N(C)C)c1 ZINC000299608720 382002361 /nfs/dbraw/zinc/00/23/61/382002361.db2.gz GBUDVLXLJSVJTR-QGZVFWFLSA-N 0 3 296.374 2.677 20 30 CFEDHN N#CCCCC(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000362249931 381978519 /nfs/dbraw/zinc/97/85/19/381978519.db2.gz LHEXUWRPUZQXBY-UHFFFAOYSA-N 0 3 291.439 2.937 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000351528456 382042476 /nfs/dbraw/zinc/04/24/76/382042476.db2.gz DMISTELYGNZWFL-HTQZYQBOSA-N 0 3 250.264 2.629 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccsc2Cl)CC1 ZINC000186928246 382047338 /nfs/dbraw/zinc/04/73/38/382047338.db2.gz VOLPIBINUKSVAE-UHFFFAOYSA-N 0 3 282.796 2.685 20 30 CFEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000351622565 382048800 /nfs/dbraw/zinc/04/88/00/382048800.db2.gz WFEHGSJSBDENIZ-SOUVJXGZSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCC[C@H](O)CN(C)CCOc1ccccc1Cl ZINC000351640475 382050771 /nfs/dbraw/zinc/05/07/71/382050771.db2.gz VCNFKLBUXVCZRP-ZDUSSCGKSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000351678985 382053118 /nfs/dbraw/zinc/05/31/18/382053118.db2.gz LJHLHDCDWWOWLV-LSDHHAIUSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCC[C@@H](O)CN1CC=C(c2cncc(F)c2)CC1 ZINC000374799771 382055428 /nfs/dbraw/zinc/05/54/28/382055428.db2.gz NPYYFJWEOJBWLJ-MRXNPFEDSA-N 0 3 276.355 2.637 20 30 CFEDHN C=CCOCCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000293269337 382056636 /nfs/dbraw/zinc/05/66/36/382056636.db2.gz XWLSEMFUPJVTHH-HNNXBMFYSA-N 0 3 289.375 2.797 20 30 CFEDHN CC#CCN(C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000374985362 382063311 /nfs/dbraw/zinc/06/33/11/382063311.db2.gz YOGWKQHHIZVFAS-UHFFFAOYSA-N 0 3 299.418 2.886 20 30 CFEDHN CC(C)(CCC#N)CN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373602169 382021179 /nfs/dbraw/zinc/02/11/79/382021179.db2.gz DDBDCQRQBNSEKM-KRWDZBQOSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000351072407 382023327 /nfs/dbraw/zinc/02/33/27/382023327.db2.gz HCNOYNJBUGBNLY-KBPBESRZSA-N 0 3 291.443 2.506 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000362368835 382029112 /nfs/dbraw/zinc/02/91/12/382029112.db2.gz CLKYORZMQVGSEL-GDBMZVCRSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C(C)CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000351854628 382068219 /nfs/dbraw/zinc/06/82/19/382068219.db2.gz OGUCZYPYSKFBON-UHFFFAOYSA-N 0 3 294.361 2.539 20 30 CFEDHN CCCN1CCC[C@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000343965425 382039219 /nfs/dbraw/zinc/03/92/19/382039219.db2.gz OACXORWOJLBILQ-LBPRGKRZSA-N 0 3 292.814 2.623 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2OC(C)(C)C1 ZINC000344065114 382102865 /nfs/dbraw/zinc/10/28/65/382102865.db2.gz GADZJEOZZBHSAP-HNNXBMFYSA-N 0 3 275.392 2.987 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H](CCOC)C1 ZINC000375807276 382104183 /nfs/dbraw/zinc/10/41/83/382104183.db2.gz BNDCIGZIYKGPDU-MRXNPFEDSA-N 0 3 296.455 2.550 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418027876 382107729 /nfs/dbraw/zinc/10/77/29/382107729.db2.gz GUAHGFKJEYKUPS-MRXNPFEDSA-N 0 3 287.407 2.529 20 30 CFEDHN CCCCCCCN1CCc2nn(CC)c(=O)cc2C1 ZINC000375891112 382111664 /nfs/dbraw/zinc/11/16/64/382111664.db2.gz MTGNVKRMZQLXSG-UHFFFAOYSA-N 0 3 277.412 2.592 20 30 CFEDHN CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000344083879 382118805 /nfs/dbraw/zinc/11/88/05/382118805.db2.gz ZYOCPRISQNFOQR-HLLBOEOZSA-N 0 3 299.418 2.830 20 30 CFEDHN C=CCOCCN(CCC)Cc1ccc(C#N)cc1 ZINC000293456849 382129068 /nfs/dbraw/zinc/12/90/68/382129068.db2.gz KYHLPKFBGYNSSA-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344031373 382080700 /nfs/dbraw/zinc/08/07/00/382080700.db2.gz DRMCMMFDSKHZDU-GJZGRUSLSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C)CC(C)(C)C1 ZINC000344031372 382081439 /nfs/dbraw/zinc/08/14/39/382081439.db2.gz DRMCMMFDSKHZDU-CABCVRRESA-N 0 3 278.440 2.944 20 30 CFEDHN C#CCCCC(=O)NC1CCN(Cc2cccs2)CC1 ZINC000375416340 382086735 /nfs/dbraw/zinc/08/67/35/382086735.db2.gz PSSCLQFRBSMWHN-UHFFFAOYSA-N 0 3 290.432 2.632 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@H]1CC=CCC1 ZINC000344057461 382097033 /nfs/dbraw/zinc/09/70/33/382097033.db2.gz KKSCRLUBOLNQQS-HNNXBMFYSA-N 0 3 264.413 2.699 20 30 CFEDHN COC1(CNCc2cnc3ccc(C#N)cn23)CCCCC1 ZINC000187448653 382185616 /nfs/dbraw/zinc/18/56/16/382185616.db2.gz XUECWWPTZRSUEK-UHFFFAOYSA-N 0 3 298.390 2.645 20 30 CFEDHN N#Cc1ccc(CN(CCO)CC2CCCCC2)o1 ZINC000362529048 382129361 /nfs/dbraw/zinc/12/93/61/382129361.db2.gz PSJMXOKKPSYLAK-UHFFFAOYSA-N 0 3 262.353 2.526 20 30 CFEDHN C=CCC1(CNC(=O)N2CCN[C@H](C)[C@H]2C)CCCC1 ZINC000418259823 382139039 /nfs/dbraw/zinc/13/90/39/382139039.db2.gz OWICYBJVXDZIGY-ZIAGYGMSSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC1(CNC(=O)N2CCN[C@@H](C)[C@@H]2C)CCCC1 ZINC000418259818 382139626 /nfs/dbraw/zinc/13/96/26/382139626.db2.gz OWICYBJVXDZIGY-KBPBESRZSA-N 0 3 279.428 2.515 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000344119282 382141101 /nfs/dbraw/zinc/14/11/01/382141101.db2.gz QVTBLJWOCWSDRD-COLVAYQJSA-N 0 3 276.355 2.846 20 30 CFEDHN C=CCC1(CNC(=O)N2C[C@H](C)NC[C@@H]2C)CCCC1 ZINC000418268648 382143497 /nfs/dbraw/zinc/14/34/97/382143497.db2.gz XMUVUDONFHRJNL-KBPBESRZSA-N 0 3 279.428 2.515 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H]1Oc1cc(F)cc(F)c1 ZINC000344126971 382145567 /nfs/dbraw/zinc/14/55/67/382145567.db2.gz DBUBEWIXSMCJKG-FZQKWOKYSA-N 0 3 294.301 2.541 20 30 CFEDHN C=CCOCCN[C@H](c1cccs1)C(C)(C)CO ZINC000293528059 382157672 /nfs/dbraw/zinc/15/76/72/382157672.db2.gz JDZNINFMPLSPRB-CYBMUJFWSA-N 0 3 269.410 2.600 20 30 CFEDHN CC[C@@]1(C)CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000344220309 382206379 /nfs/dbraw/zinc/20/63/79/382206379.db2.gz QFSCQKFITNSHTK-HOCLYGCPSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)COc1cc(CN(CC)[C@@H](C)CO)ccc1OC ZINC000293641283 382208508 /nfs/dbraw/zinc/20/85/08/382208508.db2.gz MFDCKFUHXBTWSO-AWEZNQCLSA-N 0 3 293.407 2.853 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1ccc(CC#N)cc1 ZINC000352189058 382215685 /nfs/dbraw/zinc/21/56/85/382215685.db2.gz BMVXRZBZRGHRHN-OAHLLOKOSA-N 0 3 273.380 2.858 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000187589803 382218752 /nfs/dbraw/zinc/21/87/52/382218752.db2.gz QBDFHWHUZGNNQT-KRWDZBQOSA-N 0 3 288.391 2.551 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2cccc(C#N)c2)C1 ZINC000187617354 382226927 /nfs/dbraw/zinc/22/69/27/382226927.db2.gz URBQNBOCDSDNTN-INIZCTEOSA-N 0 3 258.365 2.543 20 30 CFEDHN C=CCN(Cc1ccon1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363217513 382229377 /nfs/dbraw/zinc/22/93/77/382229377.db2.gz YFSBYXDHYRWRCJ-GOSISDBHSA-N 0 3 297.402 2.937 20 30 CFEDHN CC1(C)CCC[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000419294908 382276357 /nfs/dbraw/zinc/27/63/57/382276357.db2.gz WJKGDCSIKUFWAD-GOEBONIOSA-N 0 3 299.418 2.891 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345117900 382285062 /nfs/dbraw/zinc/28/50/62/382285062.db2.gz WYIBQLKOPJRTGF-GJZGRUSLSA-N 0 3 299.418 2.905 20 30 CFEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345110948 382285099 /nfs/dbraw/zinc/28/50/99/382285099.db2.gz JWTUJFBJEDFCAV-ZIAGYGMSSA-N 0 3 285.391 2.597 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345117901 382285853 /nfs/dbraw/zinc/28/58/53/382285853.db2.gz WYIBQLKOPJRTGF-HUUCEWRRSA-N 0 3 299.418 2.905 20 30 CFEDHN COCCCC[C@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000352361574 382289707 /nfs/dbraw/zinc/28/97/07/382289707.db2.gz RUUMGCIGJLDNFA-HIFRSBDPSA-N 0 3 274.364 2.820 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000293701165 382239845 /nfs/dbraw/zinc/23/98/45/382239845.db2.gz QBLVXPCHGDHGIP-CYBMUJFWSA-N 0 3 296.361 2.835 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC([C@H](C)O)CC1 ZINC000187671783 382241084 /nfs/dbraw/zinc/24/10/84/382241084.db2.gz RUSDVUHNRWLOLY-OLZOCXBDSA-N 0 3 258.365 2.712 20 30 CFEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(C2CC2)cc1 ZINC000419332264 382290083 /nfs/dbraw/zinc/29/00/83/382290083.db2.gz DLEWXOZBKQFBHH-KGLIPLIRSA-N 0 3 299.418 2.975 20 30 CFEDHN Cn1ccnc1[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000377260671 382245316 /nfs/dbraw/zinc/24/53/16/382245316.db2.gz FGAJQTHJMNNZPK-INIZCTEOSA-N 0 3 280.375 2.671 20 30 CFEDHN COCCOC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187689420 382248283 /nfs/dbraw/zinc/24/82/83/382248283.db2.gz DNVSUYDZBOWLKI-AWEZNQCLSA-N 0 3 288.391 2.747 20 30 CFEDHN COCCOC[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000187706041 382252951 /nfs/dbraw/zinc/25/29/51/382252951.db2.gz IDLMIAJPQSCKOU-ZBFHGGJFSA-N 0 3 288.391 2.604 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOCC1CC1 ZINC000187708729 382252965 /nfs/dbraw/zinc/25/29/65/382252965.db2.gz ZWHUILOXKCKSBI-CYBMUJFWSA-N 0 3 258.365 2.978 20 30 CFEDHN CC(C)=CCC[C@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419254488 382260938 /nfs/dbraw/zinc/26/09/38/382260938.db2.gz FRDZRTBNSITXJA-BBRMVZONSA-N 0 3 285.391 2.809 20 30 CFEDHN C=CCOCCN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000293934452 382343950 /nfs/dbraw/zinc/34/39/50/382343950.db2.gz ZBYMKMQCJWGVHO-CYBMUJFWSA-N 0 3 266.410 2.963 20 30 CFEDHN Cc1nc(-c2ccccc2)sc1CNC(=O)C(C)C#N ZINC000345793874 382313054 /nfs/dbraw/zinc/31/30/54/382313054.db2.gz FEAWSOIMZLIGNO-SNVBAGLBSA-N 0 3 285.372 2.894 20 30 CFEDHN CCOc1ccc([C@H](C)NC(=O)C(C)C#N)cc1OCC ZINC000345841840 382317264 /nfs/dbraw/zinc/31/72/64/382317264.db2.gz KLXIRQRYUQTVHQ-NEPJUHHUSA-N 0 3 290.363 2.821 20 30 CFEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)o1 ZINC000187992955 382318603 /nfs/dbraw/zinc/31/86/03/382318603.db2.gz BNBZSLQDHHWBRM-HNNXBMFYSA-N 0 3 284.359 2.841 20 30 CFEDHN CCN(Cc1ccc(Cl)s1)C(=O)C(C)C#N ZINC000357787649 382321712 /nfs/dbraw/zinc/32/17/12/382321712.db2.gz BIUPDLKXFDKKFG-MRVPVSSYSA-N 0 3 256.758 2.910 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)Cc2ccccc2C#N)C1 ZINC000188012309 382324761 /nfs/dbraw/zinc/32/47/61/382324761.db2.gz XZTZCJWFXLFSDH-BBRMVZONSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)Cc2ccc(C#N)cc2F)C1 ZINC000188019977 382325821 /nfs/dbraw/zinc/32/58/21/382325821.db2.gz IVRRJDWOHDTJEN-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cccc(F)c1F ZINC000345268460 382294485 /nfs/dbraw/zinc/29/44/85/382294485.db2.gz PCXMVLWXMIYCHK-QWRGUYRKSA-N 0 3 255.308 2.800 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378063321 382393436 /nfs/dbraw/zinc/39/34/36/382393436.db2.gz WIYVVJQYDVLHDA-SJORKVTESA-N 0 3 282.387 2.856 20 30 CFEDHN CC(C)c1ccccc1NC(=O)C(C#N)c1ccncn1 ZINC000358046843 382427645 /nfs/dbraw/zinc/42/76/45/382427645.db2.gz JMXZILLJESZWGS-ZDUSSCGKSA-N 0 3 280.331 2.846 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N(C)C[C@@H]3CCCN3C)c2c1 ZINC000420634049 382436207 /nfs/dbraw/zinc/43/62/07/382436207.db2.gz KHMSDHVSIZRNKL-HNNXBMFYSA-N 0 3 294.402 2.945 20 30 CFEDHN CN(CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000305735135 382443586 /nfs/dbraw/zinc/44/35/86/382443586.db2.gz REZTUVXBZGOZNT-UHFFFAOYSA-N 0 3 296.370 2.561 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@H]3CCCC[C@H]32)cc1 ZINC000365793366 382445320 /nfs/dbraw/zinc/44/53/20/382445320.db2.gz HVKXDMACMKVWFP-IXDOHACOSA-N 0 3 293.370 2.642 20 30 CFEDHN C=CCCCCCN1CCN([C@@H]2CCSC2)CC1 ZINC000365839174 382452881 /nfs/dbraw/zinc/45/28/81/382452881.db2.gz QOBKVXIMSKWJPB-OAHLLOKOSA-N 0 3 268.470 2.856 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000358146152 382469623 /nfs/dbraw/zinc/46/96/23/382469623.db2.gz GXJAJEPEIZSZBP-QKCSRTOESA-N 0 3 260.312 2.738 20 30 CFEDHN CO[C@]1(C)CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000366275163 382496088 /nfs/dbraw/zinc/49/60/88/382496088.db2.gz VNNGFBIZOGSFEM-QGZVFWFLSA-N 0 3 298.390 2.597 20 30 CFEDHN CCN(CC1CCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000358166540 382481018 /nfs/dbraw/zinc/48/10/18/382481018.db2.gz JXEDUGKMANDVAJ-KRWDZBQOSA-N 0 3 295.386 2.889 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352970107 382485749 /nfs/dbraw/zinc/48/57/49/382485749.db2.gz UFYZCRPODKZSBV-GJZGRUSLSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCNC(=O)CN(CC)[C@@H](CC)c1ccccc1 ZINC000346718006 382488720 /nfs/dbraw/zinc/48/87/20/382488720.db2.gz ULSPXIQAZZCKDA-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN CC[C@H](C)[C@H](CNCc1ccc(OC)c(C#N)c1)OC ZINC000294273189 382489331 /nfs/dbraw/zinc/48/93/31/382489331.db2.gz RYJBBALDIUOZGA-LRDDRELGSA-N 0 3 276.380 2.718 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H]1C(C)C ZINC000353052199 382489924 /nfs/dbraw/zinc/48/99/24/382489924.db2.gz OUYAZNPSLLMCHH-SJORKVTESA-N 0 3 289.419 2.885 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2ccc(C#N)s2)c1 ZINC000189004516 382522800 /nfs/dbraw/zinc/52/28/00/382522800.db2.gz GLBUVLWRARFPBS-CQSZACIVSA-N 0 3 286.400 2.621 20 30 CFEDHN C=CCOCCN1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420926827 382499037 /nfs/dbraw/zinc/49/90/37/382499037.db2.gz NSDWIIWTJRMHRD-UONOGXRCSA-N 0 3 283.412 2.631 20 30 CFEDHN N#CCCN(CCCC1CCOCC1)CC1CC1 ZINC000346820313 382528224 /nfs/dbraw/zinc/52/82/24/382528224.db2.gz DIHPJORLWUWHKI-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2cc(C#N)cs2)cc1 ZINC000188970529 382515246 /nfs/dbraw/zinc/51/52/46/382515246.db2.gz WNEGZBZVNXMNNT-HNNXBMFYSA-N 0 3 286.400 2.621 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000346803085 382518748 /nfs/dbraw/zinc/51/87/48/382518748.db2.gz VHQKUWWYKPYISX-NSHDSACASA-N 0 3 271.364 2.871 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1cc(F)ccc1F ZINC000294888539 382540408 /nfs/dbraw/zinc/54/04/08/382540408.db2.gz DUOMXGYRYACEOM-LBPRGKRZSA-N 0 3 266.335 2.571 20 30 CFEDHN CC(C#N)C(=O)NC1CC(c2ccc(Cl)cc2)C1 ZINC000358338393 382576084 /nfs/dbraw/zinc/57/60/84/382576084.db2.gz SUQXETXYVPQQAI-FJJSSXBZSA-N 0 3 262.740 2.862 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000358287087 382548641 /nfs/dbraw/zinc/54/86/41/382548641.db2.gz AFPPAFXLMGVDMJ-VXGBXAGGSA-N 0 3 282.409 2.673 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)[C@H](C)OC)cc1OC ZINC000189123395 382549754 /nfs/dbraw/zinc/54/97/54/382549754.db2.gz OOTWLQTXDIFYLS-STQMWFEESA-N 0 3 279.380 2.773 20 30 CFEDHN N#Cc1cccc(CN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189131617 382551024 /nfs/dbraw/zinc/55/10/24/382551024.db2.gz BVYJAVFJTFASGV-KRWDZBQOSA-N 0 3 270.376 2.949 20 30 CFEDHN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000328601172 382553312 /nfs/dbraw/zinc/55/33/12/382553312.db2.gz FALBADDPVUKAFV-KWCYVHTRSA-N 0 3 293.411 2.715 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@]23CCOC3)cc1 ZINC000367041396 382556440 /nfs/dbraw/zinc/55/64/40/382556440.db2.gz VRJWLQBKAFEWQP-PBHICJAKSA-N 0 3 286.375 2.732 20 30 CFEDHN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)N(C)C1CC1 ZINC000328636015 382558591 /nfs/dbraw/zinc/55/85/91/382558591.db2.gz CGWUJWWXXUDTAV-VXGBXAGGSA-N 0 3 281.400 2.715 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000358321165 382566656 /nfs/dbraw/zinc/56/66/56/382566656.db2.gz QZSXEWOEQPHTTM-OLZOCXBDSA-N 0 3 279.380 2.946 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000295091246 382572773 /nfs/dbraw/zinc/57/27/73/382572773.db2.gz TVJMWOYUDOBYMQ-HNNXBMFYSA-N 0 3 258.365 2.805 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000367612628 382577739 /nfs/dbraw/zinc/57/77/39/382577739.db2.gz DPVZNCJFCTZUFW-SJLPKXTDSA-N 0 3 299.418 2.659 20 30 CFEDHN N#Cc1cc(CN[C@@H](CO)C2CCCCC2)ccc1F ZINC000386253767 382584589 /nfs/dbraw/zinc/58/45/89/382584589.db2.gz LNFPCZANUXHQIB-INIZCTEOSA-N 0 3 276.355 2.728 20 30 CFEDHN CC(C)C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346960024 382586695 /nfs/dbraw/zinc/58/66/95/382586695.db2.gz JTRCGPOSKSTPQV-MRXNPFEDSA-N 0 3 299.418 2.926 20 30 CFEDHN Cc1ccccc1[C@H](NCC(=O)NC1(C#N)CCC1)C(C)C ZINC000346969789 382593008 /nfs/dbraw/zinc/59/30/08/382593008.db2.gz QKXWWGVZURNJRL-QGZVFWFLSA-N 0 3 299.418 2.844 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353664150 382599851 /nfs/dbraw/zinc/59/98/51/382599851.db2.gz OWGNUWOMLIRUEF-VYDXJSESSA-N 0 3 298.386 2.867 20 30 CFEDHN C[C@@H](CNC(=O)C1(C#N)CC(C)C1)N(C)Cc1ccccc1 ZINC000390801579 382618668 /nfs/dbraw/zinc/61/86/68/382618668.db2.gz ZQOJTTXKAPIYCJ-CSLYMUCUSA-N 0 3 299.418 2.563 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCC2(C)OCCCO2)cc1 ZINC000190655073 382676535 /nfs/dbraw/zinc/67/65/35/382676535.db2.gz ZUQBETSCDYJPKV-CQSZACIVSA-N 0 3 289.375 2.502 20 30 CFEDHN Cn1cc(CN[C@@H]2CCc3cc(F)ccc32)cc1C#N ZINC000190896709 382684444 /nfs/dbraw/zinc/68/44/44/382684444.db2.gz PONFLLOEPMIZGY-MRXNPFEDSA-N 0 3 269.323 2.813 20 30 CFEDHN CC1(C)CC[C@H](CNCc2cc(C#N)cs2)O1 ZINC000189729520 382638327 /nfs/dbraw/zinc/63/83/27/382638327.db2.gz YNEOOUGHSMUVGE-LLVKDONJSA-N 0 3 250.367 2.667 20 30 CFEDHN CN(CCc1ccc(F)cc1)Cc1cc(C#N)n(C)c1 ZINC000191261940 382697212 /nfs/dbraw/zinc/69/72/12/382697212.db2.gz IJVMHQNRFYPBOA-UHFFFAOYSA-N 0 3 271.339 2.710 20 30 CFEDHN Cn1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1C#N ZINC000191442417 382700485 /nfs/dbraw/zinc/70/04/85/382700485.db2.gz DCAZLEBQKZFRED-HOCLYGCPSA-N 0 3 299.374 2.578 20 30 CFEDHN CCCCCCCCCN1CCCN(C(N)=O)CC1 ZINC000191983586 382704014 /nfs/dbraw/zinc/70/40/14/382704014.db2.gz BUMNLQYDGRXOJT-UHFFFAOYSA-N 0 3 269.433 2.823 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000193126424 382716026 /nfs/dbraw/zinc/71/60/26/382716026.db2.gz PJHZGDSIMAGHMC-KRWDZBQOSA-N 0 3 284.403 2.852 20 30 CFEDHN C=CCNC(=O)[C@@H](C)SCCN(C)Cc1ccccc1 ZINC000193637537 382721857 /nfs/dbraw/zinc/72/18/57/382721857.db2.gz HZJUXRRCHHCOAP-CQSZACIVSA-N 0 3 292.448 2.542 20 30 CFEDHN COc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000193872299 382727806 /nfs/dbraw/zinc/72/78/06/382727806.db2.gz COEUJDQFHMGDIB-FZKQIMNGSA-N 0 3 296.370 2.951 20 30 CFEDHN Cn1cc(CN[C@H]2CCCN(c3ccccc3)C2)cc1C#N ZINC000191073733 382690331 /nfs/dbraw/zinc/69/03/31/382690331.db2.gz WDLQQUVFQFLUOV-INIZCTEOSA-N 0 3 294.402 2.655 20 30 CFEDHN C=CCN(CCOC)CCOc1ccccc1Cl ZINC000191084613 382690557 /nfs/dbraw/zinc/69/05/57/382690557.db2.gz ZHOKGNSFKJUBBU-UHFFFAOYSA-N 0 3 269.772 2.853 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(Cc3ccccc3)CC2)C1=O ZINC000337129949 382764891 /nfs/dbraw/zinc/76/48/91/382764891.db2.gz JJOYCPPBLTVPGU-SFHVURJKSA-N 0 3 298.430 2.728 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H](CC(C)C)C2)C1=O ZINC000337161975 382769439 /nfs/dbraw/zinc/76/94/39/382769439.db2.gz VDYMOFXSEKSZIR-HUUCEWRRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](c2cccs2)C2CC2)C1=O ZINC000337172633 382771050 /nfs/dbraw/zinc/77/10/50/382771050.db2.gz FPVPHIIJHAAEIA-GXTWGEPZSA-N 0 3 276.405 2.576 20 30 CFEDHN C=CCN1CC[C@@H](N2CCCC3(CCCCC3)C2)C1=O ZINC000337174914 382771622 /nfs/dbraw/zinc/77/16/22/382771622.db2.gz IFVMHULXTFXRAT-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2ccc(C)s2)C1=O ZINC000337187939 382773219 /nfs/dbraw/zinc/77/32/19/382773219.db2.gz PYCKZDGAHCYYDX-KBPBESRZSA-N 0 3 290.432 2.980 20 30 CFEDHN CC[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000337193756 382774441 /nfs/dbraw/zinc/77/44/41/382774441.db2.gz UVDORGGZTALWSM-GJZGRUSLSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](Cc3ccccc3)[C@@H]2C)C1=O ZINC000337196831 382774556 /nfs/dbraw/zinc/77/45/56/382774556.db2.gz WQBYXSFRSDWYSF-JQHSSLGASA-N 0 3 298.430 2.726 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCC(C)(C)C)C1=O ZINC000337200035 382775541 /nfs/dbraw/zinc/77/55/41/382775541.db2.gz BLHVCLLTIOXNDB-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CN(CCN1CCOC[C@H]1C)Cc1ccccc1 ZINC000337234706 382782116 /nfs/dbraw/zinc/78/21/16/382782116.db2.gz LCAVYOVKOCYFCK-QGZVFWFLSA-N 0 3 288.435 2.785 20 30 CFEDHN C[C@H](CNc1nc(Cl)c(C#N)s1)N(C)C1CC1 ZINC000220124757 382795121 /nfs/dbraw/zinc/79/51/21/382795121.db2.gz PSOXNYOGISTMMK-SSDOTTSWSA-N 0 3 270.789 2.563 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN1CCCC[C@H]1C ZINC000337256665 382787455 /nfs/dbraw/zinc/78/74/55/382787455.db2.gz SOFXNMAPKODZKN-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@](C)(c3ccc(C)cc3)C2)C1=O ZINC000337259702 382788170 /nfs/dbraw/zinc/78/81/70/382788170.db2.gz VOIXQGCQLCZTHH-PKOBYXMFSA-N 0 3 298.430 2.745 20 30 CFEDHN C=CCCc1ccccc1NC(=O)N(C)CCN(C)C ZINC000337607650 382847724 /nfs/dbraw/zinc/84/77/24/382847724.db2.gz QYOPXJVJHMIBKR-UHFFFAOYSA-N 0 3 275.396 2.831 20 30 CFEDHN C=CCCCCNC(C)(C)c1nnc2n1CCCC2 ZINC000575955794 382805447 /nfs/dbraw/zinc/80/54/47/382805447.db2.gz CIJYPKIKPAGGKC-UHFFFAOYSA-N 0 3 262.401 2.795 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575991995 382806647 /nfs/dbraw/zinc/80/66/47/382806647.db2.gz LOKMRPWMCJLGTN-PHIMTYICSA-N 0 3 259.309 2.839 20 30 CFEDHN C#CCCOc1ccc(CN2CCC(COC)CC2)cc1 ZINC000093103673 184649360 /nfs/dbraw/zinc/64/93/60/184649360.db2.gz KJBDSMBDQOQXIV-UHFFFAOYSA-N 0 3 287.403 2.947 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337460087 382824490 /nfs/dbraw/zinc/82/44/90/382824490.db2.gz KBKILJPEFHZSHY-JSGCOSHPSA-N 0 3 263.385 2.586 20 30 CFEDHN C=CCOc1ccccc1CNC[C@](C)(O)CCC ZINC000226251239 382825381 /nfs/dbraw/zinc/82/53/81/382825381.db2.gz UBOIMBNZLWGQNL-MRXNPFEDSA-N 0 3 263.381 2.892 20 30 CFEDHN C#CCOc1ccc(CN2CCC(COC)CC2)cc1 ZINC000093103677 184649937 /nfs/dbraw/zinc/64/99/37/184649937.db2.gz IHFHDCJJJTWVLM-UHFFFAOYSA-N 0 3 273.376 2.557 20 30 CFEDHN CC[C@H](CSc1ccccc1)NC(=O)C(C)C#N ZINC000337535334 382838245 /nfs/dbraw/zinc/83/82/45/382838245.db2.gz MOOHKNGPYYJXAC-NWDGAFQWSA-N 0 3 262.378 2.833 20 30 CFEDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000227688424 382839118 /nfs/dbraw/zinc/83/91/18/382839118.db2.gz AMMGPNDNFNLWHA-JTQLQIEISA-N 0 3 295.408 2.623 20 30 CFEDHN Cc1sc(NC(=O)CN[C@@H]2CCC2(C)C)c(C#N)c1C ZINC000576954589 382842345 /nfs/dbraw/zinc/84/23/45/382842345.db2.gz NEASFFNOJRBPGI-GFCCVEGCSA-N 0 3 291.420 2.953 20 30 CFEDHN CC(C)Oc1cc(CN(C(=O)C(C)C#N)C2CC2)ccn1 ZINC000337569654 382843476 /nfs/dbraw/zinc/84/34/76/382843476.db2.gz QLSSXICTHSHCTA-GFCCVEGCSA-N 0 3 287.363 2.519 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000577035670 382845059 /nfs/dbraw/zinc/84/50/59/382845059.db2.gz QBYAIEAPJXFINI-YESZJQIVSA-N 0 3 297.402 2.752 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1CCC1)C(C)C ZINC000337588384 382845396 /nfs/dbraw/zinc/84/53/96/382845396.db2.gz GDBFJDHVWVVKBX-INIZCTEOSA-N 0 3 293.455 2.784 20 30 CFEDHN C#CCSCCN[C@H]1CCCc2ccc(O)cc21 ZINC000231935053 382867829 /nfs/dbraw/zinc/86/78/29/382867829.db2.gz LYWYCGCBMFDIIV-HNNXBMFYSA-N 0 3 261.390 2.726 20 30 CFEDHN C#CCCCN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000494141576 382909991 /nfs/dbraw/zinc/90/99/91/382909991.db2.gz KIGXMCWTTJNQSQ-AWEZNQCLSA-N 0 3 280.412 2.779 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000233854455 382872522 /nfs/dbraw/zinc/87/25/22/382872522.db2.gz XXKOLQUUCIATKY-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC1(C)C)C(C)C ZINC000577927477 382875292 /nfs/dbraw/zinc/87/52/92/382875292.db2.gz DGXVGROKBPWFHP-OAHLLOKOSA-N 0 3 293.455 2.879 20 30 CFEDHN C[C@H](NC[C@H](C#N)CCC#N)[C@@H](c1ccccc1)N(C)C ZINC000578065063 382887305 /nfs/dbraw/zinc/88/73/05/382887305.db2.gz CVBQZFNVIIRXAP-ZOBUZTSGSA-N 0 3 284.407 2.711 20 30 CFEDHN C=C(CC)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494276972 382911543 /nfs/dbraw/zinc/91/15/43/382911543.db2.gz NAQXQQAJYMJIMR-HOCLYGCPSA-N 0 3 294.345 2.792 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000442714085 382948549 /nfs/dbraw/zinc/94/85/49/382948549.db2.gz KRPYMZDKTSQCGX-ZYHUDNBSSA-N 0 3 299.296 2.805 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000495142311 382964319 /nfs/dbraw/zinc/96/43/19/382964319.db2.gz VXYJRPYKWQGLLI-CVEARBPZSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000494995023 382951983 /nfs/dbraw/zinc/95/19/83/382951983.db2.gz XYBRGTNBVYRZMP-ZIAGYGMSSA-N 0 3 298.427 2.567 20 30 CFEDHN CCCOc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000442795883 382957735 /nfs/dbraw/zinc/95/77/35/382957735.db2.gz VAKYHAGNJGLYHP-OCCSQVGLSA-N 0 3 259.353 2.652 20 30 CFEDHN N#C[C@H]1CC[C@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000442819778 382959107 /nfs/dbraw/zinc/95/91/07/382959107.db2.gz QVXQCZKWOQBTGF-QWRGUYRKSA-N 0 3 299.296 2.761 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)c1cccc(CO)c1 ZINC000421889204 382962306 /nfs/dbraw/zinc/96/23/06/382962306.db2.gz UIBGXCKLDNHZLG-NSHDSACASA-N 0 3 272.373 2.963 20 30 CFEDHN N#C[C@H]1CC[C@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000442871002 382962370 /nfs/dbraw/zinc/96/23/70/382962370.db2.gz LFMJIDGBGISTHY-COPLHBTASA-N 0 3 260.312 2.931 20 30 CFEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000442876649 382962426 /nfs/dbraw/zinc/96/24/26/382962426.db2.gz VMFALHMTQHHMRS-HZPDHXFCSA-N 0 3 298.434 2.851 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000494687239 382919135 /nfs/dbraw/zinc/91/91/35/382919135.db2.gz DTYVYCAXOKGKEG-BZUAXINKSA-N 0 3 293.455 2.999 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc(C#N)c1C ZINC000338120189 382925640 /nfs/dbraw/zinc/92/56/40/382925640.db2.gz LWLORMBISSJQQT-INIZCTEOSA-N 0 3 299.418 2.861 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000338128628 382928802 /nfs/dbraw/zinc/92/88/02/382928802.db2.gz FERWOTWAJORDPG-INIZCTEOSA-N 0 3 297.402 2.613 20 30 CFEDHN CC(C#N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000578540744 382930578 /nfs/dbraw/zinc/93/05/78/382930578.db2.gz JFVJZRIXCLXNPV-NEPJUHHUSA-N 0 3 291.782 2.537 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000540957129 382963576 /nfs/dbraw/zinc/96/35/76/382963576.db2.gz IDRTXEYJMGURMB-SNJODYKJSA-N 0 3 254.333 2.850 20 30 CFEDHN N#CC(C(=O)c1cccc2nccnc21)c1ccccn1 ZINC000544555291 382975109 /nfs/dbraw/zinc/97/51/09/382975109.db2.gz GTOKMRBEMVPBBU-GFCCVEGCSA-N 0 3 274.283 2.515 20 30 CFEDHN CC(C)(C#N)CCCCN[C@](C)(C(N)=O)c1ccccc1 ZINC000444659614 382976495 /nfs/dbraw/zinc/97/64/95/382976495.db2.gz DMQFPGPAKNYDPT-KRWDZBQOSA-N 0 3 287.407 2.697 20 30 CFEDHN C[C@](O)(C1CCN(CCCCC#N)CC1)C(F)(F)F ZINC000545224258 382977067 /nfs/dbraw/zinc/97/70/67/382977067.db2.gz SPNVXQUWEKCZLY-LBPRGKRZSA-N 0 3 278.318 2.706 20 30 CFEDHN C[C@@H]1[C@@H](C)N(CCCCC(C)(C)C#N)CCN1C ZINC000444687622 382978304 /nfs/dbraw/zinc/97/83/04/382978304.db2.gz GZGVKRNQUJMXML-ZIAGYGMSSA-N 0 3 251.418 2.731 20 30 CFEDHN C=C(CC)CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444721417 382978948 /nfs/dbraw/zinc/97/89/48/382978948.db2.gz FFMLQZCVAIFVFY-MNOVXSKESA-N 0 3 251.292 2.588 20 30 CFEDHN CCC[C@@]1(CO)CCCN1CC#Cc1ccccc1 ZINC000444762576 382980648 /nfs/dbraw/zinc/98/06/48/382980648.db2.gz AIYPJYQGHHNNDU-KRWDZBQOSA-N 0 3 257.377 2.665 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000338299057 382981658 /nfs/dbraw/zinc/98/16/58/382981658.db2.gz XSNYZLBUTOHPGH-QWRGUYRKSA-N 0 3 294.782 2.889 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N[C@H](C)CC)CCCC1(C)C ZINC000444784688 382982193 /nfs/dbraw/zinc/98/21/93/382982193.db2.gz WGDBDBKWZKZZRW-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N(C)CC2CC2)CCCC1(C)C ZINC000444788557 382982649 /nfs/dbraw/zinc/98/26/49/382982649.db2.gz WNNHQMGHECJIED-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC000548830124 382986285 /nfs/dbraw/zinc/98/62/85/382986285.db2.gz VGNLZMQYFWQWNR-OAHLLOKOSA-N 0 3 299.418 2.637 20 30 CFEDHN C=CCCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338315155 382989290 /nfs/dbraw/zinc/98/92/90/382989290.db2.gz NEHHWOSSSFCMRH-UHFFFAOYSA-N 0 3 266.410 2.571 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C#N)cc2F)CCCC1 ZINC000338330570 382992809 /nfs/dbraw/zinc/99/28/09/382992809.db2.gz DSJSWUONCCPCTG-UHFFFAOYSA-N 0 3 290.338 2.663 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1cccnc1)c1ccc(C#N)cc1 ZINC000338357909 383001464 /nfs/dbraw/zinc/00/14/64/383001464.db2.gz NCTPWAMXLFSESV-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000579465681 383018416 /nfs/dbraw/zinc/01/84/16/383018416.db2.gz BBFWXAMKQYRVFK-OIISXLGYSA-N 0 3 283.375 2.940 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nc1 ZINC000579371186 383009309 /nfs/dbraw/zinc/00/93/09/383009309.db2.gz YDFODOMWZJVIJZ-KSZLIROESA-N 0 3 299.418 2.859 20 30 CFEDHN C[C@H]1CCN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443509288 382967559 /nfs/dbraw/zinc/96/75/59/382967559.db2.gz ILDRLVNDNJXFHF-JTQLQIEISA-N 0 3 298.312 2.502 20 30 CFEDHN N#CCC1CCN(CCOCCOc2ccccc2)CC1 ZINC000542878353 382970321 /nfs/dbraw/zinc/97/03/21/382970321.db2.gz GOUUHWDPGXALGP-UHFFFAOYSA-N 0 3 288.391 2.708 20 30 CFEDHN C#CCCN(C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495838416 383033566 /nfs/dbraw/zinc/03/35/66/383033566.db2.gz WKGHWAALYKPWRW-CYBMUJFWSA-N 0 3 272.348 2.659 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000447957126 383034811 /nfs/dbraw/zinc/03/48/11/383034811.db2.gz YDGPEVJQAGFPCX-OAHLLOKOSA-N 0 3 289.423 2.772 20 30 CFEDHN C#CCCN1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000496236090 383079068 /nfs/dbraw/zinc/07/90/68/383079068.db2.gz VCOCGXYCUBHYPB-UHFFFAOYSA-N 0 3 292.423 2.779 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@H](F)C2)cc1 ZINC000580329786 383079081 /nfs/dbraw/zinc/07/90/81/383079081.db2.gz MYXQFVDXLHCNGZ-PMPSAXMXSA-N 0 3 299.349 2.637 20 30 CFEDHN C=C(Cl)CN[C@H](C)C1CCN(C(=O)OCC)CC1 ZINC000496034878 383057658 /nfs/dbraw/zinc/05/76/58/383057658.db2.gz HHOGNZRKANIKSO-LLVKDONJSA-N 0 3 274.792 2.586 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000448544329 383063776 /nfs/dbraw/zinc/06/37/76/383063776.db2.gz XFMMUEOMKGRMPH-OAHLLOKOSA-N 0 3 264.413 2.698 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000448540755 383064126 /nfs/dbraw/zinc/06/41/26/383064126.db2.gz BWPLKYFKISKERL-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN CC[C@H]1CCCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000246265122 383069537 /nfs/dbraw/zinc/06/95/37/383069537.db2.gz ZKCOMKWZLOVPKU-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN C#CCCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245662982 383019933 /nfs/dbraw/zinc/01/99/33/383019933.db2.gz QDONWNCNYNJJIJ-IAGOWNOFSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCCN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495747196 383021220 /nfs/dbraw/zinc/02/12/20/383021220.db2.gz FVPIEMPUHFYLMK-CYBMUJFWSA-N 0 3 254.374 2.552 20 30 CFEDHN C=C(C)COCCNCc1ccnn1-c1ccccc1 ZINC000447898674 383025774 /nfs/dbraw/zinc/02/57/74/383025774.db2.gz XYKXFOOWNQIOOP-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN CC(C)(C#N)CCCN1CCS[C@@H]2COCC[C@H]21 ZINC000246918833 383121540 /nfs/dbraw/zinc/12/15/40/383121540.db2.gz MWDDDBQGQAJZRD-CHWSQXEVSA-N 0 3 268.426 2.523 20 30 CFEDHN CC(C)c1ccc(O[C@H](C)CNC(=O)C(C)C#N)cc1 ZINC000554022684 383122667 /nfs/dbraw/zinc/12/26/67/383122667.db2.gz JJXYMKQXPWXVCR-QWHCGFSZSA-N 0 3 274.364 2.853 20 30 CFEDHN CCOC(=O)N[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000496697264 383123296 /nfs/dbraw/zinc/12/32/96/383123296.db2.gz JOOZLZJCKAKUEZ-AWEZNQCLSA-N 0 3 295.427 2.917 20 30 CFEDHN CC(C)COC(=O)N1CCC(NCC2(C#N)CCC2)CC1 ZINC000497103223 383130908 /nfs/dbraw/zinc/13/09/08/383130908.db2.gz SVCRXHRQPKPORA-UHFFFAOYSA-N 0 3 293.411 2.527 20 30 CFEDHN Cc1ccc(C[C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000554819719 383146408 /nfs/dbraw/zinc/14/64/08/383146408.db2.gz DRSOTGLHIHSOED-GDBMZVCRSA-N 0 3 270.376 2.936 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(Cl)c1)[C@@H]1CCCO1 ZINC000619755287 383147400 /nfs/dbraw/zinc/14/74/00/383147400.db2.gz VZPDFRROUFSORQ-HZMBPMFUSA-N 0 3 264.756 2.869 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000507500538 383146543 /nfs/dbraw/zinc/14/65/43/383146543.db2.gz JFKVAEKEUJZQRC-QGPMSJSTSA-N 0 3 299.418 2.878 20 30 CFEDHN CN(C)C(=O)O[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000496297092 383083877 /nfs/dbraw/zinc/08/38/77/383083877.db2.gz WCUBPNJPHDABBI-AWEZNQCLSA-N 0 3 295.427 2.869 20 30 CFEDHN C[C@]1(CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000581541167 383083921 /nfs/dbraw/zinc/08/39/21/383083921.db2.gz FCLALJJHSZWVCC-OAHLLOKOSA-N 0 3 263.768 2.538 20 30 CFEDHN Cc1n[nH]cc1C1CCN(CCC(C)(C)C#N)CC1 ZINC000582232099 383086175 /nfs/dbraw/zinc/08/61/75/383086175.db2.gz HGDPOJMDUXDDQC-UHFFFAOYSA-N 0 3 260.385 2.837 20 30 CFEDHN C=CCC1(C(=O)NCCN2CC[C@H](C)C2)CCCCC1 ZINC000582401146 383087066 /nfs/dbraw/zinc/08/70/66/383087066.db2.gz KRAVMQNZAMGDMW-HNNXBMFYSA-N 0 3 278.440 2.971 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496343883 383090326 /nfs/dbraw/zinc/09/03/26/383090326.db2.gz MHNQCLZCCKFWAC-BBRMVZONSA-N 0 3 295.427 2.915 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000246664812 383091276 /nfs/dbraw/zinc/09/12/76/383091276.db2.gz DZLGAQKQMPEKLZ-HUUCEWRRSA-N 0 3 279.428 2.505 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000496386501 383094671 /nfs/dbraw/zinc/09/46/71/383094671.db2.gz LWNLRPOZTJUTLS-MGPQQGTHSA-N 0 3 293.411 2.620 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccnc(C#N)c2)C1 ZINC000552999603 383096177 /nfs/dbraw/zinc/09/61/77/383096177.db2.gz OKJWTFNABJDYBJ-YOEHRIQHSA-N 0 3 292.386 2.623 20 30 CFEDHN C=CCCN(C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338950712 383097283 /nfs/dbraw/zinc/09/72/83/383097283.db2.gz DQEVAVQIZMPEHR-UHFFFAOYSA-N 0 3 251.326 2.637 20 30 CFEDHN N#Cc1ccc(OC2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000338964222 383102320 /nfs/dbraw/zinc/10/23/20/383102320.db2.gz OYPDVAINRWNBBC-QGZVFWFLSA-N 0 3 286.375 2.580 20 30 CFEDHN COc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)ccc1O ZINC000338963173 383102668 /nfs/dbraw/zinc/10/26/68/383102668.db2.gz MKHWARSYSKMNNR-WCQYABFASA-N 0 3 260.337 2.525 20 30 CFEDHN COc1cc(CN(C)[C@H]2CC[C@H](C#N)C2)ccc1O ZINC000338963167 383102704 /nfs/dbraw/zinc/10/27/04/383102704.db2.gz MKHWARSYSKMNNR-AAEUAGOBSA-N 0 3 260.337 2.525 20 30 CFEDHN CC[C@@H]1C[C@]1(NC(=O)C(C)C#N)c1cccc(C)c1 ZINC000506184929 383144470 /nfs/dbraw/zinc/14/44/70/383144470.db2.gz VIZKWYIFYIKYDI-WOSRLPQWSA-N 0 3 256.349 2.896 20 30 CFEDHN CC[C@@H]1C[C@]1(NC(=O)C(C)C#N)c1cccc(C)c1 ZINC000506184930 383144517 /nfs/dbraw/zinc/14/45/17/383144517.db2.gz VIZKWYIFYIKYDI-XJKCOSOUSA-N 0 3 256.349 2.896 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000246793302 383104927 /nfs/dbraw/zinc/10/49/27/383104927.db2.gz CUDDOGQQVBTQJA-SNPRPXQTSA-N 0 3 283.375 2.617 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)[C@]1(C#N)C[C@@H]1C)c1ccccc1 ZINC000448899375 383106086 /nfs/dbraw/zinc/10/60/86/383106086.db2.gz ODBGIIQGMSAYGV-DEYYWGMASA-N 0 3 299.418 2.782 20 30 CFEDHN CN(C)C(=O)O[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000496479137 383107034 /nfs/dbraw/zinc/10/70/34/383107034.db2.gz WWKXJMHEUCFUMZ-AWEZNQCLSA-N 0 3 293.411 2.623 20 30 CFEDHN C[C@H]1CCN(CCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496510998 383110068 /nfs/dbraw/zinc/11/00/68/383110068.db2.gz GYIVYEWZDBPVDX-KBPBESRZSA-N 0 3 295.427 2.773 20 30 CFEDHN N#CCCOCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000339172293 383175349 /nfs/dbraw/zinc/17/53/49/383175349.db2.gz PNMXGHFYWQUCNN-GFCCVEGCSA-N 0 3 290.329 2.971 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000565072842 383175706 /nfs/dbraw/zinc/17/57/06/383175706.db2.gz XLTMZKBABGOMFL-HDJSIYSDSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)s1 ZINC000565157912 383176370 /nfs/dbraw/zinc/17/63/70/383176370.db2.gz QWRBRAGWUFLCJZ-UHFFFAOYSA-N 0 3 263.410 2.559 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000339200856 383183310 /nfs/dbraw/zinc/18/33/10/383183310.db2.gz JJOABUAZZJJCKA-LXTVHRRPSA-N 0 3 260.381 2.712 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2CC3(CCC3)C2)CC1 ZINC000566268823 383185534 /nfs/dbraw/zinc/18/55/34/383185534.db2.gz LFXAGBZUSURPGW-UHFFFAOYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc2ccccc2c(OC)c1 ZINC000449240207 383186127 /nfs/dbraw/zinc/18/61/27/383186127.db2.gz YETZBPRKWXXEBN-HNNXBMFYSA-N 0 3 271.360 2.875 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000566407412 383186300 /nfs/dbraw/zinc/18/63/00/383186300.db2.gz VABRPDKONWZBPZ-GXTWGEPZSA-N 0 3 258.365 2.505 20 30 CFEDHN CC1(C#N)CCC([NH2+][C@@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000449238047 383186484 /nfs/dbraw/zinc/18/64/84/383186484.db2.gz PVEHKQURNUGPCA-ISXOHVOVSA-N 0 3 295.390 2.956 20 30 CFEDHN CC1(C#N)CCC(N[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000449238047 383186486 /nfs/dbraw/zinc/18/64/86/383186486.db2.gz PVEHKQURNUGPCA-ISXOHVOVSA-N 0 3 295.390 2.956 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N(CC)C[C@H](C)C#N)C1CC1 ZINC000247671359 383190024 /nfs/dbraw/zinc/19/00/24/383190024.db2.gz PWFRKVMKPDOKFJ-QLFBSQMISA-N 0 3 293.455 2.894 20 30 CFEDHN CC[C@H](C)[C@H](C)N(CC(=O)N(CC)C[C@H](C)C#N)C1CC1 ZINC000247671355 383190374 /nfs/dbraw/zinc/19/03/74/383190374.db2.gz PWFRKVMKPDOKFJ-ILXRZTDVSA-N 0 3 293.455 2.894 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)cc1OC ZINC000566646747 383196978 /nfs/dbraw/zinc/19/69/78/383196978.db2.gz UBICDKMCBHIROE-GASCZTMLSA-N 0 3 291.391 2.869 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634457580 383199501 /nfs/dbraw/zinc/19/95/01/383199501.db2.gz BTGFCAUFPKQJTQ-GOSISDBHSA-N 0 3 298.430 2.879 20 30 CFEDHN CC1(C)[C@@H]2CN(C(=O)C(C#N)CCc3ccccc3)C[C@@H]21 ZINC000555557180 383148539 /nfs/dbraw/zinc/14/85/39/383148539.db2.gz REZJAPTXAMBJCE-OAGGEKHMSA-N 0 3 282.387 2.873 20 30 CFEDHN C=CCCCCN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000556220144 383151056 /nfs/dbraw/zinc/15/10/56/383151056.db2.gz KZOOYTVOAQGZPY-GHMZBOCLSA-N 0 3 251.292 2.730 20 30 CFEDHN CCc1ccc([C@@H](CNC[C@H](C#N)CCC#N)N(C)C)cc1 ZINC000556481495 383151744 /nfs/dbraw/zinc/15/17/44/383151744.db2.gz NYDOHOPRAVGZDV-FUHWJXTLSA-N 0 3 298.434 2.885 20 30 CFEDHN CC#CCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000514947852 383156474 /nfs/dbraw/zinc/15/64/74/383156474.db2.gz MGRRSVNGKIXNPW-WKILWMFISA-N 0 3 273.376 2.521 20 30 CFEDHN CCOC1(CNCc2cnc3ccc(C#N)cn23)CCCC1 ZINC000339477122 383211236 /nfs/dbraw/zinc/21/12/36/383211236.db2.gz UARVJOASVCZPBE-UHFFFAOYSA-N 0 3 298.390 2.645 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)c2c1CCC2 ZINC000514913824 383157054 /nfs/dbraw/zinc/15/70/54/383157054.db2.gz FOTVBQNEVAJHIV-OAHLLOKOSA-N 0 3 277.327 2.764 20 30 CFEDHN CC(C)[C@@H](NC[C@@H](C#N)CCC#N)C1(CO)CCCC1 ZINC000563138021 383165297 /nfs/dbraw/zinc/16/52/97/383165297.db2.gz MJKJOHNNKOESAC-HUUCEWRRSA-N 0 3 277.412 2.597 20 30 CFEDHN C[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)CN1Cc1ccccc1 ZINC000520567584 383263202 /nfs/dbraw/zinc/26/32/02/383263202.db2.gz NQYBXPREHGSMRC-NJAFHUGGSA-N 0 3 296.418 2.683 20 30 CFEDHN C=CCOc1ccccc1CN(C)CC(C)(C)CO ZINC000449416582 383277907 /nfs/dbraw/zinc/27/79/07/383277907.db2.gz UNNLBGNIKAXMPI-UHFFFAOYSA-N 0 3 263.381 2.702 20 30 CFEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000339500750 383218780 /nfs/dbraw/zinc/21/87/80/383218780.db2.gz ADNWTEHUYDEPAO-XHSDSOJGSA-N 0 3 270.376 2.851 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)C[C@@H]1F)C(C)C ZINC000424659687 383223543 /nfs/dbraw/zinc/22/35/43/383223543.db2.gz SIMNIPPGTGZATK-IJEWVQPXSA-N 0 3 282.403 2.549 20 30 CFEDHN C[C@H](C(=O)N1CCC(CCC#N)CC1)[C@H](N)c1ccccc1 ZINC000519604181 383229697 /nfs/dbraw/zinc/22/96/97/383229697.db2.gz MWUUKCSMMQSMID-YOEHRIQHSA-N 0 3 299.418 2.865 20 30 CFEDHN N#Cc1csc(CNC[C@H](CO)C2CCCCC2)c1 ZINC000339520163 383229727 /nfs/dbraw/zinc/22/97/27/383229727.db2.gz XYRJJQWQMVTPNB-CQSZACIVSA-N 0 3 278.421 2.898 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000424700718 383235704 /nfs/dbraw/zinc/23/57/04/383235704.db2.gz DCOSJRVAYPOJTD-GASCZTMLSA-N 0 3 296.455 2.594 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1CCC(C)CC1 ZINC000425130389 383327178 /nfs/dbraw/zinc/32/71/78/383327178.db2.gz NRGSTWFPICFMCC-OAHLLOKOSA-N 0 3 299.418 2.810 20 30 CFEDHN CC(C)[C@H]1C[C@@H](CNCc2ccc(C#N)o2)CCO1 ZINC000449489534 383327268 /nfs/dbraw/zinc/32/72/68/383327268.db2.gz AIOPVCTUBNZLSJ-SWLSCSKDSA-N 0 3 262.353 2.692 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000249130982 383329187 /nfs/dbraw/zinc/32/91/87/383329187.db2.gz UVKWWHMCBLAOLH-HEHGZKQESA-N 0 3 286.375 2.750 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1cc(C#N)cc(C)n1)C(C)C ZINC000339970195 383345756 /nfs/dbraw/zinc/34/57/56/383345756.db2.gz APNNDZSWDZAKRM-QGZVFWFLSA-N 0 3 298.434 2.794 20 30 CFEDHN Cn1cc(CN2CC[C@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000449429018 383289428 /nfs/dbraw/zinc/28/94/28/383289428.db2.gz SVNVJSOYJWWYGN-KRWDZBQOSA-N 0 3 292.386 2.943 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)cc1F ZINC000248836326 383296433 /nfs/dbraw/zinc/29/64/33/383296433.db2.gz JZUMLRWQURVAOC-HOCLYGCPSA-N 0 3 274.339 2.698 20 30 CFEDHN CC(C)[C@H](NCc1cccc(C#N)c1F)C1(CO)CCC1 ZINC000339730608 383300630 /nfs/dbraw/zinc/30/06/30/383300630.db2.gz LJSSKLVELGFRGD-INIZCTEOSA-N 0 3 290.382 2.974 20 30 CFEDHN N#CCCCN1CCN(CCCC#N)[C@H]2CCCC[C@@H]21 ZINC000339734360 383301938 /nfs/dbraw/zinc/30/19/38/383301938.db2.gz REWONNUXOCCUIZ-HOTGVXAUSA-N 0 3 274.412 2.523 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000567727159 383308313 /nfs/dbraw/zinc/30/83/13/383308313.db2.gz AVIPJOCSGUJUGU-WBVHZDCISA-N 0 3 284.407 2.540 20 30 CFEDHN C=CC(C)(C)CNCc1ncc(CN(C)C)s1 ZINC000449486678 383326079 /nfs/dbraw/zinc/32/60/79/383326079.db2.gz UMVVSTCFJGZOEQ-UHFFFAOYSA-N 0 3 253.415 2.507 20 30 CFEDHN C[C@@H](O)CN(CC1(C#N)CCC1)C1CCCCC1 ZINC000450356103 383392331 /nfs/dbraw/zinc/39/23/31/383392331.db2.gz FSQSWUAAKUPUEV-CYBMUJFWSA-N 0 3 250.386 2.696 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000426455298 383400080 /nfs/dbraw/zinc/40/00/80/383400080.db2.gz BEXRFSRFCMLVCZ-QGZVFWFLSA-N 0 3 272.392 2.737 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000525313594 383400948 /nfs/dbraw/zinc/40/09/48/383400948.db2.gz JAVQKOSTXWXMRW-SWLSCSKDSA-N 0 3 296.374 2.787 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(C#N)s1 ZINC000252000488 383402294 /nfs/dbraw/zinc/40/22/94/383402294.db2.gz WPKZWAMYULNKLF-SYEHKZFSSA-N 0 3 262.378 2.838 20 30 CFEDHN COc1cc(CN[C@H](C)[C@@]2(C)CCCO2)ccc1C#N ZINC000340397750 383416767 /nfs/dbraw/zinc/41/67/67/383416767.db2.gz VMVGORDUFBJJAF-MLGOLLRUSA-N 0 3 274.364 2.614 20 30 CFEDHN CC[C@@]1(C)CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568512288 383409619 /nfs/dbraw/zinc/40/96/19/383409619.db2.gz VCQDGSZMGLYBLD-INIZCTEOSA-N 0 3 283.379 2.613 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)cc(F)c1 ZINC000449546433 383353944 /nfs/dbraw/zinc/35/39/44/383353944.db2.gz BVSNAXUDYFFLAA-KGLIPLIRSA-N 0 3 253.292 2.788 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(OC)c1OC ZINC000449546384 383354155 /nfs/dbraw/zinc/35/41/55/383354155.db2.gz BMKDCKPJVZFSCH-KGLIPLIRSA-N 0 3 277.364 2.527 20 30 CFEDHN N#Cc1ccc(CNCCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000340107944 383357591 /nfs/dbraw/zinc/35/75/91/383357591.db2.gz FLWKTOZHMGOMNE-UHFFFAOYSA-N 0 3 299.305 2.938 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449664305 383359916 /nfs/dbraw/zinc/35/99/16/383359916.db2.gz BGIVNSVBOMTEIK-MNOVXSKESA-N 0 3 278.318 2.561 20 30 CFEDHN C=C(CC)CNCc1ccc(-n2cncn2)c(C)c1 ZINC000449732658 383362918 /nfs/dbraw/zinc/36/29/18/383362918.db2.gz MAWQLRYWZBZULA-UHFFFAOYSA-N 0 3 256.353 2.632 20 30 CFEDHN C[C@H](C(=O)N(C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000524037741 383364657 /nfs/dbraw/zinc/36/46/57/383364657.db2.gz KFXJBKMPOYVMDP-CQSZACIVSA-N 0 3 285.391 2.786 20 30 CFEDHN N#CCCCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449843872 383367344 /nfs/dbraw/zinc/36/73/44/383367344.db2.gz JKMIUEHTKKLLSU-HNNXBMFYSA-N 0 3 277.412 2.594 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](C)N(C)C2CC2)CCCC1 ZINC000449837268 383367677 /nfs/dbraw/zinc/36/76/77/383367677.db2.gz WPOHEEKFNFJSKB-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](C)N(C)C2CC2)CCCC1 ZINC000449837269 383367968 /nfs/dbraw/zinc/36/79/68/383367968.db2.gz WPOHEEKFNFJSKB-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN CC(C)[C@@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000470732349 383376715 /nfs/dbraw/zinc/37/67/15/383376715.db2.gz INTCJBYUUQSZFD-UKRRQHHQSA-N 0 3 258.365 2.777 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CCCC1 ZINC000450075559 383380045 /nfs/dbraw/zinc/38/00/45/383380045.db2.gz OLDNSMVLTCPHKJ-UONOGXRCSA-N 0 3 276.424 2.864 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)CCCC1 ZINC000450097539 383381032 /nfs/dbraw/zinc/38/10/32/383381032.db2.gz PHSBRXCYESHYGM-GJZGRUSLSA-N 0 3 278.440 2.968 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnn2)C1 ZINC000425503482 383381754 /nfs/dbraw/zinc/38/17/54/383381754.db2.gz JATXLKRAQAXYFU-BBRMVZONSA-N 0 3 281.363 2.548 20 30 CFEDHN COCC(C)(C)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000425507383 383382617 /nfs/dbraw/zinc/38/26/17/383382617.db2.gz QKIQPAIGSNIGHL-UHFFFAOYSA-N 0 3 295.471 2.749 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000473823895 383382661 /nfs/dbraw/zinc/38/26/61/383382661.db2.gz YCHXSJYFVOYFJI-ILXRZTDVSA-N 0 3 293.455 2.713 20 30 CFEDHN CC(C)C[C@@H](CN1CCN(CC#N)CC1)c1ccccc1 ZINC000474282284 383383968 /nfs/dbraw/zinc/38/39/68/383383968.db2.gz ZKHRSKJZHWEFPW-SFHVURJKSA-N 0 3 285.435 2.957 20 30 CFEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000475508873 383387342 /nfs/dbraw/zinc/38/73/42/383387342.db2.gz AUPHJEDYBLAQKZ-CKEIUWERSA-N 0 3 297.402 2.589 20 30 CFEDHN Cc1cccc(C)c1OC[C@@H](O)CNCC(C)(C)CC#N ZINC000568754137 383433378 /nfs/dbraw/zinc/43/33/78/383433378.db2.gz CVOWUNFNTNKBTA-HNNXBMFYSA-N 0 3 290.407 2.573 20 30 CFEDHN Cc1nccnc1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000340491514 383441342 /nfs/dbraw/zinc/44/13/42/383441342.db2.gz FHZNHZXWGHBTSI-LLVKDONJSA-N 0 3 284.338 2.689 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000253100145 383445757 /nfs/dbraw/zinc/44/57/57/383445757.db2.gz WBWHXDMGEHVVOY-USXIJHARSA-N 0 3 288.366 2.823 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)Nc1nccc(C#N)n1)N(C)C ZINC000450534526 383450090 /nfs/dbraw/zinc/45/00/90/383450090.db2.gz FWJNOSADLCJOJY-BBRMVZONSA-N 0 3 295.390 2.760 20 30 CFEDHN CC(C)(C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000527377828 383469436 /nfs/dbraw/zinc/46/94/36/383469436.db2.gz MNKSDXIXQHWZMS-MRXNPFEDSA-N 0 3 299.418 2.926 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@@H]4CCC[C@@H]43)n2c1 ZINC000428463498 383478732 /nfs/dbraw/zinc/47/87/32/383478732.db2.gz VQKMUYXGRWJNNZ-ZFWWWQNUSA-N 0 3 266.348 2.580 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[C@@H](C)C1 ZINC000429565750 383547156 /nfs/dbraw/zinc/54/71/56/383547156.db2.gz SYXSKHWPAWVYLL-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1F ZINC000340898255 383498719 /nfs/dbraw/zinc/49/87/19/383498719.db2.gz HBJADYODWVFDLG-RRFJBIMHSA-N 0 3 274.339 2.766 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488160606 383501825 /nfs/dbraw/zinc/50/18/25/383501825.db2.gz IPTCGNHGVZFUAN-CABCVRRESA-N 0 3 271.408 2.781 20 30 CFEDHN Cc1cc(CN2[C@H](C)CCC[C@H]2CO)ccc1C#N ZINC000488166710 383503130 /nfs/dbraw/zinc/50/31/30/383503130.db2.gz UZPCEVBSXPSKQA-CJNGLKHVSA-N 0 3 258.365 2.602 20 30 CFEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000429579906 383550460 /nfs/dbraw/zinc/55/04/60/383550460.db2.gz NDNKCTXIHLWZIH-IUODEOHRSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C#N)cc1 ZINC000341064623 383550904 /nfs/dbraw/zinc/55/09/04/383550904.db2.gz SHSVTPWNLLCEQE-OKILXGFUSA-N 0 3 285.391 2.551 20 30 CFEDHN COC(=O)[C@H]1CCN(Cc2ccccc2C#N)[C@H]1C(C)C ZINC000429359313 383522922 /nfs/dbraw/zinc/52/29/22/383522922.db2.gz AFNKSJPXEVQWFW-HOTGVXAUSA-N 0 3 286.375 2.578 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(OC)ccc2F)CC1 ZINC000569707805 383530255 /nfs/dbraw/zinc/53/02/55/383530255.db2.gz BCGKMQJVKJXFHO-UHFFFAOYSA-N 0 3 279.359 2.682 20 30 CFEDHN CC#CCCN(CCc1ccccn1)Cc1cccnc1 ZINC000430326894 383592491 /nfs/dbraw/zinc/59/24/91/383592491.db2.gz ZIHKQJQBZDDKKP-UHFFFAOYSA-N 0 3 279.387 2.935 20 30 CFEDHN COc1cccc2c1CC[C@@H]2NCC1(CC#N)CC1 ZINC000430744694 383598085 /nfs/dbraw/zinc/59/80/85/383598085.db2.gz VLEYKBXQTJZJPB-AWEZNQCLSA-N 0 3 256.349 2.966 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc2ccccc2o1 ZINC000429714477 383562328 /nfs/dbraw/zinc/56/23/28/383562328.db2.gz KSHDOQGZLYUQQM-UHFFFAOYSA-N 0 3 273.380 2.768 20 30 CFEDHN CCN(Cc1ccc(C(=O)NCC2(C#N)CC2)cc1)C1CC1 ZINC000570029445 383563138 /nfs/dbraw/zinc/56/31/38/383563138.db2.gz NBAYIYBPDJEOKF-UHFFFAOYSA-N 0 3 297.402 2.704 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc([N+](=O)[O-])c1C ZINC000429720033 383564085 /nfs/dbraw/zinc/56/40/85/383564085.db2.gz MFAISTFVRAMHBH-UHFFFAOYSA-N 0 3 291.395 2.843 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cnn(-c2ccccc2)c1 ZINC000429725230 383564094 /nfs/dbraw/zinc/56/40/94/383564094.db2.gz YMGSTVYBQBFVBP-UHFFFAOYSA-N 0 3 298.434 2.812 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNc1ncccc1C#N ZINC000341100795 383564943 /nfs/dbraw/zinc/56/49/43/383564943.db2.gz LGDDNFMVKHNMNV-BETUJISGSA-N 0 3 258.369 2.628 20 30 CFEDHN N#CCC1(CNC(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000570594501 383617836 /nfs/dbraw/zinc/61/78/36/383617836.db2.gz DGDGQIURKMCAKH-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN C=C[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000489433651 383619662 /nfs/dbraw/zinc/61/96/62/383619662.db2.gz SFXAHBLTHSKRBB-HNNXBMFYSA-N 0 3 256.349 2.978 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451497602 383628836 /nfs/dbraw/zinc/62/88/36/383628836.db2.gz WGGMJMJZOVOFLI-MAZHCROVSA-N 0 3 286.350 2.745 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451500083 383629441 /nfs/dbraw/zinc/62/94/41/383629441.db2.gz MNPMJOAHWTVBCG-VCTAVGKDSA-N 0 3 276.355 2.846 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451506506 383631416 /nfs/dbraw/zinc/63/14/16/383631416.db2.gz VVDSJFJNCUSEFJ-IUIKQTSFSA-N 0 3 288.391 2.716 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000435737167 383778893 /nfs/dbraw/zinc/77/88/93/383778893.db2.gz FKFGMEHXBANUKA-QAPCUYQASA-N 0 3 297.402 2.943 20 30 CFEDHN CC(C)(C)NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433021545 383752544 /nfs/dbraw/zinc/75/25/44/383752544.db2.gz QZUJNNDGSQLRJC-HNNXBMFYSA-N 0 3 287.407 2.926 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(OCC)n1 ZINC000435736336 383778955 /nfs/dbraw/zinc/77/89/55/383778955.db2.gz WNKSWKDRAMSLQQ-BBRMVZONSA-N 0 3 276.380 2.551 20 30 CFEDHN C=CCN(CC=C)C(=O)C(C#N)CCc1ccccc1 ZINC000433123192 383755109 /nfs/dbraw/zinc/75/51/09/383755109.db2.gz YJDJYFWFOUZICM-MRXNPFEDSA-N 0 3 268.360 2.960 20 30 CFEDHN CC(C)[C@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000529802255 383755204 /nfs/dbraw/zinc/75/52/04/383755204.db2.gz GALWMBCDPYGQKI-DOTOQJQBSA-N 0 3 299.418 2.515 20 30 CFEDHN C=CCN(CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000264592441 383759542 /nfs/dbraw/zinc/75/95/42/383759542.db2.gz GXAUQUNQWBMZNW-KRWDZBQOSA-N 0 3 269.392 2.663 20 30 CFEDHN CCN(CCC#N)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000433316576 383760798 /nfs/dbraw/zinc/76/07/98/383760798.db2.gz GIYKKFJKIWITBW-HNNXBMFYSA-N 0 3 277.412 2.546 20 30 CFEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCS1 ZINC000433349496 383761386 /nfs/dbraw/zinc/76/13/86/383761386.db2.gz CKXWLZSHNVVSNR-HIFRSBDPSA-N 0 3 288.416 2.723 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1CCSCC1 ZINC000433351506 383761721 /nfs/dbraw/zinc/76/17/21/383761721.db2.gz FVNVIVLEATZGOB-AWEZNQCLSA-N 0 3 288.416 2.771 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530021869 383763565 /nfs/dbraw/zinc/76/35/65/383763565.db2.gz ADZAICOJFPGAOZ-MRXNPFEDSA-N 0 3 297.402 2.613 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433963026 383764811 /nfs/dbraw/zinc/76/48/11/383764811.db2.gz ULBDPEQFJBZFIV-INIZCTEOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)c2cc(C)cc(C)c2)C1=O ZINC000280931723 195035043 /nfs/dbraw/zinc/03/50/43/195035043.db2.gz DXEASDMAFCGSBK-HOCLYGCPSA-N 0 3 272.392 2.741 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCSC(C)(C)CC1 ZINC000434693730 383770861 /nfs/dbraw/zinc/77/08/61/383770861.db2.gz HJVCUNAFBCIXJL-AWEZNQCLSA-N 0 3 296.480 2.793 20 30 CFEDHN CO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451625532 383669691 /nfs/dbraw/zinc/66/96/91/383669691.db2.gz WQAYVHHEMSUWCO-CHWSQXEVSA-N 0 3 296.317 2.817 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000265079007 383826931 /nfs/dbraw/zinc/82/69/31/383826931.db2.gz ZQONVXMVUWWIRS-JKSUJKDBSA-N 0 3 288.391 2.562 20 30 CFEDHN C#CCCCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000192140585 533010289 /nfs/dbraw/zinc/01/02/89/533010289.db2.gz YSRCTZQKWMJPSD-KRWDZBQOSA-N 0 3 298.430 2.913 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000453264610 383822312 /nfs/dbraw/zinc/82/23/12/383822312.db2.gz AMUXJHROGPLXAC-RTXFEEFZSA-N 0 3 262.328 2.509 20 30 CFEDHN COC(=O)c1cccc(CN[C@H]2CCC2(C)C)c1C#N ZINC000572421285 383780818 /nfs/dbraw/zinc/78/08/18/383780818.db2.gz ZOSYVLPCNOPKIU-AWEZNQCLSA-N 0 3 272.348 2.623 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCc1nccs1 ZINC000435930088 383781639 /nfs/dbraw/zinc/78/16/39/383781639.db2.gz VTYNDJWWBPIOGB-AWEZNQCLSA-N 0 3 299.399 2.574 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000453356617 383847689 /nfs/dbraw/zinc/84/76/89/383847689.db2.gz LZDRWWVHFSYZMF-KMUNFCNLSA-N 0 3 260.312 2.691 20 30 CFEDHN C[C@H](N[C@@H](CO)CC1CCC1)c1ccc(C#N)c(F)c1 ZINC000280993080 195060543 /nfs/dbraw/zinc/06/05/43/195060543.db2.gz MXFLKZXBUDVQAY-XHDPSFHLSA-N 0 3 276.355 2.899 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000265254859 383875008 /nfs/dbraw/zinc/87/50/08/383875008.db2.gz UKCXWVRYEYJWGZ-CVEARBPZSA-N 0 3 276.355 2.823 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@]23C[C@H]2CCCC3)CC1 ZINC000636742126 383877122 /nfs/dbraw/zinc/87/71/22/383877122.db2.gz KGNOKSYQLXOGPI-RHSMWYFYSA-N 0 3 291.439 2.659 20 30 CFEDHN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C#N)cc1)N(CC)CC ZINC000265473228 383925664 /nfs/dbraw/zinc/92/56/64/383925664.db2.gz SJKIDDCNHCDGSM-BBRMVZONSA-N 0 3 287.407 2.856 20 30 CFEDHN N#Cc1cccc(OCCN2CCC(c3ncc[nH]3)CC2)c1 ZINC000265483006 383929519 /nfs/dbraw/zinc/92/95/19/383929519.db2.gz LFNJCURWYLSIMA-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000646154456 383900603 /nfs/dbraw/zinc/90/06/03/383900603.db2.gz TYTSGGSGXLACEM-AXFHLTTASA-N 0 3 251.292 2.634 20 30 CFEDHN CO[C@@H](C)CN(CC#Cc1ccc(F)cc1)C(C)C ZINC000438063681 383940888 /nfs/dbraw/zinc/94/08/88/383940888.db2.gz RGBPFIUWEMJSLW-AWEZNQCLSA-N 0 3 263.356 2.923 20 30 CFEDHN C[C@@H]1CSCCN1Cc1ccc(OCC#N)cc1 ZINC000265671930 383972712 /nfs/dbraw/zinc/97/27/12/383972712.db2.gz XAQHDADAEQLCQB-GFCCVEGCSA-N 0 3 262.378 2.526 20 30 CFEDHN C=CCCN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000265834856 384011679 /nfs/dbraw/zinc/01/16/79/384011679.db2.gz VEGBMEVRDCTXOW-UHFFFAOYSA-N 0 3 265.353 2.720 20 30 CFEDHN Cc1ccc(CCNCc2ccc(C#N)cc2F)cn1 ZINC000532570321 384047960 /nfs/dbraw/zinc/04/79/60/384047960.db2.gz XBOIKHKPTIJKOV-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN CC(C#N)C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438929525 384030098 /nfs/dbraw/zinc/03/00/98/384030098.db2.gz WHNSYOIIQJIYMM-KXUCPTDWSA-N 0 3 262.275 2.631 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000637323606 384030005 /nfs/dbraw/zinc/03/00/05/384030005.db2.gz KFPURYKFKNLHKU-CQSZACIVSA-N 0 3 293.455 2.714 20 30 CFEDHN CC(C)C1CCC(N2CCN(C(=O)C(C)C#N)CC2)CC1 ZINC000440000012 384054812 /nfs/dbraw/zinc/05/48/12/384054812.db2.gz YHALDGRHMPZFLL-FHERZECASA-N 0 3 291.439 2.505 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000266041247 384061852 /nfs/dbraw/zinc/06/18/52/384061852.db2.gz VWMRWEFRYHMSJX-ZFWWWQNUSA-N 0 3 260.381 2.664 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000646927284 384096848 /nfs/dbraw/zinc/09/68/48/384096848.db2.gz HQMRYHPBJVITCI-ULQDDVLXSA-N 0 3 284.403 2.509 20 30 CFEDHN C[C@H](C#N)CN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000266577231 384201982 /nfs/dbraw/zinc/20/19/82/384201982.db2.gz PKPDVDFKBCRDTP-GFCCVEGCSA-N 0 3 299.374 2.726 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@]1(OC)CCOC1 ZINC000637872430 384238771 /nfs/dbraw/zinc/23/87/71/384238771.db2.gz ZBOCXPMPYPWGQY-AWEZNQCLSA-N 0 3 267.394 2.542 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1ccccc1SC ZINC000266914144 384261325 /nfs/dbraw/zinc/26/13/25/384261325.db2.gz JYXPKDVFHLJLOC-UHFFFAOYSA-N 0 3 276.405 2.692 20 30 CFEDHN C#CCN(CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000266953169 384269322 /nfs/dbraw/zinc/26/93/22/384269322.db2.gz UXTMRYDALXYMBB-UHFFFAOYSA-N 0 3 299.330 2.747 20 30 CFEDHN C#CCCCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000277338277 384270925 /nfs/dbraw/zinc/27/09/25/384270925.db2.gz AWVXHLSMPXLCSZ-UHFFFAOYSA-N 0 3 269.348 2.754 20 30 CFEDHN CN(C)[C@@]1(CNc2ccc(C#N)cc2F)CCSC1 ZINC000267141765 384305854 /nfs/dbraw/zinc/30/58/54/384305854.db2.gz YAWGESFHZKFRFU-CQSZACIVSA-N 0 3 279.384 2.547 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000267144023 384307902 /nfs/dbraw/zinc/30/79/02/384307902.db2.gz YNYURMVGPCRRCL-INIZCTEOSA-N 0 3 272.392 2.733 20 30 CFEDHN C=CCN1CCC(NCc2ccc(SC)o2)CC1 ZINC000641718979 384289538 /nfs/dbraw/zinc/28/95/38/384289538.db2.gz HWBSOLJHUIZRFP-UHFFFAOYSA-N 0 3 266.410 2.742 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc(C(F)(F)F)c1 ZINC000641769035 384335061 /nfs/dbraw/zinc/33/50/61/384335061.db2.gz OKGSGTGXHWTFHG-ZDUSSCGKSA-N 0 3 271.282 2.569 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000641769273 384336574 /nfs/dbraw/zinc/33/65/74/384336574.db2.gz RQUWKQTUQHFCCF-LLVKDONJSA-N 0 3 272.175 2.857 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(Br)cc1C ZINC000641782125 384349186 /nfs/dbraw/zinc/34/91/86/384349186.db2.gz IOANCOALTFXKRE-ZYHUDNBSSA-N 0 3 284.197 2.955 20 30 CFEDHN COC[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000267345591 384363171 /nfs/dbraw/zinc/36/31/71/384363171.db2.gz DPYRMJUOPMEQSC-AWEZNQCLSA-N 0 3 263.768 2.660 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(F)cc2cccnc21 ZINC000641760547 384326372 /nfs/dbraw/zinc/32/63/72/384326372.db2.gz TXTSAYRIUPRKEB-HNNXBMFYSA-N 0 3 274.339 2.791 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccccc1OCC(C)C ZINC000641767820 384333589 /nfs/dbraw/zinc/33/35/89/384333589.db2.gz RDHQWFZVMDHRQT-MRXNPFEDSA-N 0 3 275.392 2.585 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(Br)c(C)c1 ZINC000641767808 384333749 /nfs/dbraw/zinc/33/37/49/384333749.db2.gz RBAMQQAGNMAZBP-ZDUSSCGKSA-N 0 3 296.208 2.621 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(CC(F)(F)F)cc1 ZINC000641768257 384334793 /nfs/dbraw/zinc/33/47/93/384334793.db2.gz YONHPHUMGSZRRI-AWEZNQCLSA-N 0 3 285.309 2.655 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)nc1 ZINC000267440148 384392466 /nfs/dbraw/zinc/39/24/66/384392466.db2.gz CAWDLHIRRARJOA-OAHLLOKOSA-N 0 3 292.386 2.664 20 30 CFEDHN C=CC1CCN(Cc2c3c(nn2C)CCCC3)CC1 ZINC000638071714 384393303 /nfs/dbraw/zinc/39/33/03/384393303.db2.gz IANAMILGNCKYAA-UHFFFAOYSA-N 0 3 259.397 2.697 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc[nH]c1C)C(C)C ZINC000267413842 384384201 /nfs/dbraw/zinc/38/42/01/384384201.db2.gz RAJHCGMTSFYMJV-MRXNPFEDSA-N 0 3 289.423 2.752 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000267420061 384385710 /nfs/dbraw/zinc/38/57/10/384385710.db2.gz KEPRIPPGMXJNPZ-HNNXBMFYSA-N 0 3 286.375 2.722 20 30 CFEDHN C=C(C)CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277727374 384388792 /nfs/dbraw/zinc/38/87/92/384388792.db2.gz JRRCWOMRANHACX-UHFFFAOYSA-N 0 3 259.393 2.880 20 30 CFEDHN Cc1cc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)ccc1F ZINC000267691993 384444316 /nfs/dbraw/zinc/44/43/16/384444316.db2.gz QQRLJZUDMWQBFO-OLZOCXBDSA-N 0 3 291.370 2.545 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccccc1C#N ZINC000277874038 384430006 /nfs/dbraw/zinc/43/00/06/384430006.db2.gz UWPFQOBRHHSJPN-MRXNPFEDSA-N 0 3 258.365 2.685 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCN(C(C)C)CC1 ZINC000268202040 384563031 /nfs/dbraw/zinc/56/30/31/384563031.db2.gz OPPPUMGDGGBLJO-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCc1cc(CN(C)[C@H]2C[C@@H](OC)C2)cc(OC)c1O ZINC000289312595 197293507 /nfs/dbraw/zinc/29/35/07/197293507.db2.gz DWAVWGQRGYOZCR-GASCZTMLSA-N 0 3 291.391 2.739 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCSC1 ZINC000278445961 384577431 /nfs/dbraw/zinc/57/74/31/384577431.db2.gz MKLOBNNBOOEJJC-INIZCTEOSA-N 0 3 290.432 2.760 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(F)c(C#N)c1 ZINC000268262917 384584157 /nfs/dbraw/zinc/58/41/57/384584157.db2.gz XWCVQRAUCQWCLC-UHFFFAOYSA-N 0 3 264.344 2.682 20 30 CFEDHN C=C(C)CN(CCN1CCCC1=O)Cc1ccccc1 ZINC000279385949 384622117 /nfs/dbraw/zinc/62/21/17/384622117.db2.gz TXJMWIGEXZTSKP-UHFFFAOYSA-N 0 3 272.392 2.687 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000638453845 384673123 /nfs/dbraw/zinc/67/31/23/384673123.db2.gz AMXVBFPVKHODIR-AWEZNQCLSA-N 0 3 278.371 2.587 20 30 CFEDHN Cc1oc(NC(=O)CN(C)[C@H](C)C(C)C)c(C#N)c1C ZINC000269375274 384751351 /nfs/dbraw/zinc/75/13/51/384751351.db2.gz ZPSOMAOABPTHHE-LLVKDONJSA-N 0 3 277.368 2.683 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(O)CCc3ccccc32)c(F)c1 ZINC000269805405 384870969 /nfs/dbraw/zinc/87/09/69/384870969.db2.gz KMPUZOCVWZEJLB-SFHVURJKSA-N 0 3 296.345 2.621 20 30 CFEDHN CN(C)[C@H](CNc1cnccc1C#N)c1ccccc1 ZINC000269924382 384904894 /nfs/dbraw/zinc/90/48/94/384904894.db2.gz BJDORZPNIIGOOZ-MRXNPFEDSA-N 0 3 266.348 2.668 20 30 CFEDHN CN(c1cccc(C#N)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000270087992 384972023 /nfs/dbraw/zinc/97/20/23/384972023.db2.gz WPHMDBGEBSPXKT-QGZVFWFLSA-N 0 3 292.386 2.664 20 30 CFEDHN C=C[C@H](CC(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000270219815 385019315 /nfs/dbraw/zinc/01/93/15/385019315.db2.gz LRMOQVQSADRCAP-OAHLLOKOSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(C)cs1 ZINC000280548129 385057321 /nfs/dbraw/zinc/05/73/21/385057321.db2.gz DOLUVRSGZOZTFW-WCQYABFASA-N 0 3 252.383 2.522 20 30 CFEDHN CC1=CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000270377766 385078069 /nfs/dbraw/zinc/07/80/69/385078069.db2.gz VKQKWKRJLPGLLV-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN C#CCCCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280487539 385032869 /nfs/dbraw/zinc/03/28/69/385032869.db2.gz LZDXJPFDSDNZRV-GFCCVEGCSA-N 0 3 287.281 2.622 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC=C(C)C1 ZINC000280706388 385120720 /nfs/dbraw/zinc/12/07/20/385120720.db2.gz CWQOSPGYHXTZPP-UHFFFAOYSA-N 0 3 272.348 2.598 20 30 CFEDHN C#CC[C@@H](NC(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000270405076 385090014 /nfs/dbraw/zinc/09/00/14/385090014.db2.gz KHGZUACMBWTJNR-QGZVFWFLSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CC[C@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281120715 385183966 /nfs/dbraw/zinc/18/39/66/385183966.db2.gz BHGFYBPHJJFKIE-CVEARBPZSA-N 0 3 281.359 2.711 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C(=O)OCC)o1 ZINC000280814634 385164144 /nfs/dbraw/zinc/16/41/44/385164144.db2.gz UQRGULXGVWCZRO-IUODEOHRSA-N 0 3 293.363 2.527 20 30 CFEDHN C[C@@H](NCc1ccn(C)c1)c1ccc(OCC#N)cc1 ZINC000270641789 385175010 /nfs/dbraw/zinc/17/50/10/385175010.db2.gz OSNBCHVUSOTCPI-CYBMUJFWSA-N 0 3 269.348 2.778 20 30 CFEDHN C=CCOCCN1CCS[C@@H](c2ccccc2)C1 ZINC000645087777 385180885 /nfs/dbraw/zinc/18/08/85/385180885.db2.gz UVGFSWLJPXUDCW-OAHLLOKOSA-N 0 3 263.406 2.979 20 30 CFEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccc(Cl)cc2)C1=O ZINC000282092792 385210119 /nfs/dbraw/zinc/21/01/19/385210119.db2.gz VIMWANABKTVKQI-CQSZACIVSA-N 0 3 292.810 2.952 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000347069503 533108653 /nfs/dbraw/zinc/10/86/53/533108653.db2.gz NFKSZNJDSKZNCT-JTQLQIEISA-N 0 3 262.740 2.991 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@@H](CC)c2ccccc2)C1=O ZINC000282145863 385226680 /nfs/dbraw/zinc/22/66/80/385226680.db2.gz ZYKQZQOYTXJDMA-HOTGVXAUSA-N 0 3 272.392 2.856 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000347084632 533109313 /nfs/dbraw/zinc/10/93/13/533109313.db2.gz ZKPXUEHVIOGUJZ-DZGCQCFKSA-N 0 3 256.349 2.770 20 30 CFEDHN COc1cc(CN(C)CCCOC(C)C)ccc1C#N ZINC000282175478 385237580 /nfs/dbraw/zinc/23/75/80/385237580.db2.gz FHLDEYVCPJQPEB-UHFFFAOYSA-N 0 3 276.380 2.814 20 30 CFEDHN COc1cc(CN2CCSC[C@H](C)C2)ccc1C#N ZINC000282487691 385324013 /nfs/dbraw/zinc/32/40/13/385324013.db2.gz XIJCABFNSAABCU-GFCCVEGCSA-N 0 3 276.405 2.752 20 30 CFEDHN C=C(C)CCN(CCNC(C)=O)Cc1ccsc1 ZINC000282429556 385308092 /nfs/dbraw/zinc/30/80/92/385308092.db2.gz HIEAJOQNUSIXSR-UHFFFAOYSA-N 0 3 266.410 2.652 20 30 CFEDHN COc1cc(CN(C)CCCSC)ccc1C#N ZINC000282469718 385318799 /nfs/dbraw/zinc/31/87/99/385318799.db2.gz WFIDGICOCPXGRC-UHFFFAOYSA-N 0 3 264.394 2.752 20 30 CFEDHN CN(Cc1ccc(C#N)o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000271046581 385318870 /nfs/dbraw/zinc/31/88/70/385318870.db2.gz RNUBLZPFINMFTH-INIZCTEOSA-N 0 3 295.386 2.858 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](OC)C[C@@H]1C ZINC000282285894 385271734 /nfs/dbraw/zinc/27/17/34/385271734.db2.gz IPFMGPVTEZBVKD-SWLSCSKDSA-N 0 3 274.364 2.566 20 30 CFEDHN C=CCCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000270967494 385286934 /nfs/dbraw/zinc/28/69/34/385286934.db2.gz PCXZZTNJYDFBLJ-ZDUSSCGKSA-N 0 3 284.197 2.990 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)c(OC)c1 ZINC000282395435 385301031 /nfs/dbraw/zinc/30/10/31/385301031.db2.gz RISWNVRFUXQZJT-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN CCCCN(CCOC)Cc1ccc(C#N)c(OC)c1 ZINC000282395400 385301038 /nfs/dbraw/zinc/30/10/38/385301038.db2.gz RIQMWSWEQZSBCM-UHFFFAOYSA-N 0 3 276.380 2.815 20 30 CFEDHN C#CCCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000271082788 385333204 /nfs/dbraw/zinc/33/32/04/385333204.db2.gz YUIXBVFMEJPJJM-MRXNPFEDSA-N 0 3 270.376 2.527 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000347085556 533116244 /nfs/dbraw/zinc/11/62/44/533116244.db2.gz ZUHZHUBLVOZFRX-ONGXEEELSA-N 0 3 270.254 2.956 20 30 CFEDHN CC(C#N)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000347106353 533113381 /nfs/dbraw/zinc/11/33/81/533113381.db2.gz LPXABFQODVWEKH-LBPRGKRZSA-N 0 3 274.364 2.639 20 30 CFEDHN C#CCCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000271069684 385328190 /nfs/dbraw/zinc/32/81/90/385328190.db2.gz VHWRTIKDCYXQLS-DHZHZOJOSA-N 0 3 268.404 2.731 20 30 CFEDHN C[C@@H](NCc1cccc(CO)c1)c1ccc(OCC#N)cc1 ZINC000271882003 385395333 /nfs/dbraw/zinc/39/53/33/385395333.db2.gz PMRLAPCKBJSNQG-CQSZACIVSA-N 0 3 296.370 2.932 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000271905110 385397171 /nfs/dbraw/zinc/39/71/71/385397171.db2.gz WLGZGKNNATUHEL-IMJJTQAJSA-N 0 3 286.350 2.745 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000336002172 533116491 /nfs/dbraw/zinc/11/64/91/533116491.db2.gz VSFRZIWZNOVITP-YUMQZZPRSA-N 0 3 254.692 2.816 20 30 CFEDHN CC[C@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271941437 385406657 /nfs/dbraw/zinc/40/66/57/385406657.db2.gz MDTBZYZRHIRMBD-HZMBPMFUSA-N 0 3 250.317 2.509 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271974072 385415868 /nfs/dbraw/zinc/41/58/68/385415868.db2.gz VBXZMBGOGVPQEK-RYUDHWBXSA-N 0 3 291.370 2.653 20 30 CFEDHN C[C@@H](N[C@@H]1CCSC1)c1ccc(C#N)c(F)c1 ZINC000271975887 385416593 /nfs/dbraw/zinc/41/65/93/385416593.db2.gz VQEWHJGLQXWALL-BXKDBHETSA-N 0 3 250.342 2.853 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000335998626 533118456 /nfs/dbraw/zinc/11/84/56/533118456.db2.gz CCQWKBQGKXBPQV-QPUJVOFHSA-N 0 3 293.164 2.712 20 30 CFEDHN C=CCN(CCc1ccco1)CCc1ccncc1 ZINC000272254996 385488838 /nfs/dbraw/zinc/48/88/38/385488838.db2.gz IYUOKMPYLCLPDS-UHFFFAOYSA-N 0 3 256.349 2.948 20 30 CFEDHN C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000283375502 385459876 /nfs/dbraw/zinc/45/98/76/385459876.db2.gz CYADDQATWGGLLI-RTXFEEFZSA-N 0 3 289.404 2.503 20 30 CFEDHN CCn1nccc1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000283825606 385505466 /nfs/dbraw/zinc/50/54/66/385505466.db2.gz FRCKIFNSTMIZLH-UHFFFAOYSA-N 0 3 294.402 2.982 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000285947233 385558746 /nfs/dbraw/zinc/55/87/46/385558746.db2.gz CBVQPSMMWBXGGX-YXJHDRRASA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1snc(Cl)c1C#N ZINC000286211840 385572504 /nfs/dbraw/zinc/57/25/04/385572504.db2.gz CKAMJBWJSAOGRA-UWVGGRQHSA-N 0 3 296.827 2.731 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000286380509 385602745 /nfs/dbraw/zinc/60/27/45/385602745.db2.gz ZAZPVHPPSUWMGF-CYBMUJFWSA-N 0 3 269.747 2.856 20 30 CFEDHN CCOC[C@@H](NCc1ccc(C#N)cc1OC)C(C)C ZINC000286296461 385584949 /nfs/dbraw/zinc/58/49/49/385584949.db2.gz VINCNMCCIXENBK-OAHLLOKOSA-N 0 3 276.380 2.718 20 30 CFEDHN CC[C@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000286301301 385585379 /nfs/dbraw/zinc/58/53/79/385585379.db2.gz VROGPLVPEJHMCH-DZGCQCFKSA-N 0 3 271.364 2.665 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(C#N)cc2)C1 ZINC000288775840 197164057 /nfs/dbraw/zinc/16/40/57/197164057.db2.gz JZWISVJKNLVFED-INIZCTEOSA-N 0 3 258.365 2.543 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H](C)c2ccc(F)cc2)C1=O ZINC000281195000 195144980 /nfs/dbraw/zinc/14/49/80/195144980.db2.gz IQYYKYYUXXPXRP-BBRMVZONSA-N 0 3 290.382 2.648 20 30 CFEDHN CN1CC[C@H](Nc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000286583259 385657430 /nfs/dbraw/zinc/65/74/30/385657430.db2.gz STFMLWWCFSKEKJ-IRXDYDNUSA-N 0 3 278.359 2.811 20 30 CFEDHN C(#Cc1ccccc1)CN1CCCN(c2ccncc2)CC1 ZINC000639682860 385659550 /nfs/dbraw/zinc/65/95/50/385659550.db2.gz BJZLBGFYWNQHSZ-UHFFFAOYSA-N 0 3 291.398 2.645 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cc(C#N)ccc1F ZINC000286772175 385706522 /nfs/dbraw/zinc/70/65/22/385706522.db2.gz ZXIOWTZFVWAQPI-SAYFZHNOSA-N 0 3 286.350 2.553 20 30 CFEDHN CC#CCCCC(=O)Nc1cccc(CN(C)C)c1 ZINC000274262070 385751206 /nfs/dbraw/zinc/75/12/06/385751206.db2.gz CLXYFGJJMXDCHB-UHFFFAOYSA-N 0 3 258.365 2.880 20 30 CFEDHN C=CCCC[C@H](C)N1CCc2nc(COC)ncc2C1 ZINC000639911962 385767554 /nfs/dbraw/zinc/76/75/54/385767554.db2.gz IQEVMHSIZZJPDA-ZDUSSCGKSA-N 0 3 275.396 2.726 20 30 CFEDHN C/C=C/C[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000274660597 385843494 /nfs/dbraw/zinc/84/34/94/385843494.db2.gz VMIRUKYYYHYEQE-CESFYWBNSA-N 0 3 262.328 2.675 20 30 CFEDHN C=CCC[C@@H](NC[C@@](C)(O)C(=O)OCC)c1ccccc1 ZINC000274684670 385848874 /nfs/dbraw/zinc/84/88/74/385848874.db2.gz YAKZWJZQGOYQSN-NVXWUHKLSA-N 0 3 291.391 2.598 20 30 CFEDHN C=C(C)CCN1CCN(CCc2ccccc2)CC1 ZINC000274747249 385862133 /nfs/dbraw/zinc/86/21/33/385862133.db2.gz GRRIIQCUAKMQIH-UHFFFAOYSA-N 0 3 258.409 2.813 20 30 CFEDHN C[C@H]1[C@H](NCc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000288572944 197115989 /nfs/dbraw/zinc/11/59/89/197115989.db2.gz ZVDLYAAHGZOKKL-KBXCAEBGSA-N 0 3 295.386 2.904 20 30 CFEDHN C=CCN1CCC(Nc2ccncc2Br)CC1 ZINC000274826550 385878975 /nfs/dbraw/zinc/87/89/75/385878975.db2.gz QWNFHICTJUEKRM-UHFFFAOYSA-N 0 3 296.212 2.906 20 30 CFEDHN C=C(C)CCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000277019250 386109944 /nfs/dbraw/zinc/10/99/44/386109944.db2.gz ZKZFWXYQUDNCDP-GOEBONIOSA-N 0 3 294.345 2.792 20 30 CFEDHN C#CCCCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000277044662 386115765 /nfs/dbraw/zinc/11/57/65/386115765.db2.gz AGTSJPDWVCWDEI-UHFFFAOYSA-N 0 3 258.365 2.799 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2COc3ccccc32)s1 ZINC000288417526 197073047 /nfs/dbraw/zinc/07/30/47/197073047.db2.gz AUQIBRWJVJUBPX-LLVKDONJSA-N 0 3 270.357 2.886 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288409553 197070613 /nfs/dbraw/zinc/07/06/13/197070613.db2.gz WVKLXCXKXGQIKM-SJLPKXTDSA-N 0 3 298.430 2.959 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCc2ccccc2C)C1=O ZINC000281247636 195165937 /nfs/dbraw/zinc/16/59/37/195165937.db2.gz GOELPWKARXJADE-QGZVFWFLSA-N 0 3 286.419 2.646 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCc2ccc(C)cc2)C1=O ZINC000281333152 195200594 /nfs/dbraw/zinc/20/05/94/195200594.db2.gz MAAXAWJJFCVURH-KRWDZBQOSA-N 0 3 286.419 2.646 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](CC)c2ccccc2)C1=O ZINC000281338187 195202223 /nfs/dbraw/zinc/20/22/23/195202223.db2.gz WFXTZOXENLZDHU-HUUCEWRRSA-N 0 3 258.365 2.514 20 30 CFEDHN C=CCN1CC[C@@H](N(CCC)CCc2cccs2)C1=O ZINC000281382080 195219378 /nfs/dbraw/zinc/21/93/78/195219378.db2.gz PEVGYWLNNJCNLN-OAHLLOKOSA-N 0 3 292.448 2.790 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)N2CCC(C#N)CC2)c1 ZINC000171139418 335056484 /nfs/dbraw/zinc/05/64/84/335056484.db2.gz DVGHMWZNSUWJFW-UHFFFAOYSA-N 0 3 286.379 2.516 20 30 CFEDHN CC[C@H](CC#N)NC[C@@H]1CCN1Cc1ccccc1 ZINC000716211265 781980527 /nfs/dbraw/zinc/98/05/27/781980527.db2.gz XGBGMWKDRLHGGU-CVEARBPZSA-N 0 3 257.381 2.543 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163182354 262394818 /nfs/dbraw/zinc/39/48/18/262394818.db2.gz FYBDXSLDBZATBN-XQQFMLRXSA-N 0 3 288.229 2.911 20 30 CFEDHN COc1cc(CNCc2ccc([C@H](C)O)cc2)ccc1C#N ZINC000281589691 195299346 /nfs/dbraw/zinc/29/93/46/195299346.db2.gz DZLHTVBNEQUPIF-ZDUSSCGKSA-N 0 3 296.370 2.910 20 30 CFEDHN COc1cc(CNC[C@H](O)c2cccc(C)c2)ccc1C#N ZINC000281668993 195328443 /nfs/dbraw/zinc/32/84/43/195328443.db2.gz LIQZFGXDAGEBIV-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN COc1cc(CNCC(C)(C)[C@@H](O)C(C)C)ccc1C#N ZINC000281812611 195392751 /nfs/dbraw/zinc/39/27/51/195392751.db2.gz WEBMYQSFYYYFTN-INIZCTEOSA-N 0 3 290.407 2.700 20 30 CFEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c(C#N)c1C ZINC000282135227 195516644 /nfs/dbraw/zinc/51/66/44/195516644.db2.gz RPVMNEGGWMCNRI-OLUVUFQESA-N 0 3 289.379 2.873 20 30 CFEDHN O[C@]12CCCC[C@@H]1CN(CC#Cc1ccccc1)CC2 ZINC000160763209 285379070 /nfs/dbraw/zinc/37/90/70/285379070.db2.gz YECFPGWGIHWIAU-MSOLQXFVSA-N 0 3 269.388 2.665 20 30 CFEDHN COc1ccc2cc(CN(C)C(=O)C(C)C#N)ccc2c1 ZINC000347069071 533326609 /nfs/dbraw/zinc/32/66/09/533326609.db2.gz MWUCPYVPOWDFJF-GFCCVEGCSA-N 0 3 282.343 2.966 20 30 CFEDHN Cc1cc(C#N)cc(N2CCN(CC3CCCCC3)CC2)n1 ZINC000341933854 130143091 /nfs/dbraw/zinc/14/30/91/130143091.db2.gz VVLGUWQFXFCZQF-UHFFFAOYSA-N 0 3 298.434 2.964 20 30 CFEDHN N#Cc1cccc(C2(NCCOCC3CC3)CC2)c1 ZINC000341977218 130163610 /nfs/dbraw/zinc/16/36/10/130163610.db2.gz WGHWCTHBXKMOHC-UHFFFAOYSA-N 0 3 256.349 2.564 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCCCC[C@@H]2CCO)c1 ZINC000342035984 130250783 /nfs/dbraw/zinc/25/07/83/130250783.db2.gz QLUZVNITZCNAHE-OAHLLOKOSA-N 0 3 276.355 2.824 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191616762 130263059 /nfs/dbraw/zinc/26/30/59/130263059.db2.gz NOMBJDWMELOOFW-JKSUJKDBSA-N 0 3 275.396 2.580 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)[C@H]1CCCSC1 ZINC000355685100 130334384 /nfs/dbraw/zinc/33/43/84/130334384.db2.gz QSKUNSRKYLYROP-INIZCTEOSA-N 0 3 290.432 2.902 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000683036859 542633020 /nfs/dbraw/zinc/63/30/20/542633020.db2.gz PNDBVOXGVIAZOV-QWRGUYRKSA-N 0 3 265.319 2.834 20 30 CFEDHN CC#CCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192070229 130363592 /nfs/dbraw/zinc/36/35/92/130363592.db2.gz BOMPAQPKDCWYIE-UONOGXRCSA-N 0 3 267.731 2.922 20 30 CFEDHN C[C@@](CO)(CNCc1ccc(C#N)s1)c1ccccc1 ZINC000342222388 130395159 /nfs/dbraw/zinc/39/51/59/130395159.db2.gz LNEMRQVUAUDKJD-INIZCTEOSA-N 0 3 286.400 2.660 20 30 CFEDHN Cn1cc(CN[C@@H]2CCc3ccccc32)cc1C#N ZINC000232313900 130924594 /nfs/dbraw/zinc/92/45/94/130924594.db2.gz ZZQLXHKHZVCYPH-MRXNPFEDSA-N 0 3 251.333 2.674 20 30 CFEDHN CCCNC(=O)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246319685 131093401 /nfs/dbraw/zinc/09/34/01/131093401.db2.gz HDIQYISYADBRON-RHSMWYFYSA-N 0 3 299.418 2.857 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2ncc(C)s2)CC1 ZINC000683373097 542672531 /nfs/dbraw/zinc/67/25/31/542672531.db2.gz JWIWBCOPMKOXOR-CYBMUJFWSA-N 0 3 266.410 2.568 20 30 CFEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000268791846 132066250 /nfs/dbraw/zinc/06/62/50/132066250.db2.gz GTUOFYPHCQLWKS-CQSZACIVSA-N 0 3 272.392 2.600 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCCOCC2CC2)cc1 ZINC000268956334 132092936 /nfs/dbraw/zinc/09/29/36/132092936.db2.gz WHNIGYSZBRVRCQ-CQSZACIVSA-N 0 3 273.376 2.776 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccc(C)o2)cc1 ZINC000268982924 132095633 /nfs/dbraw/zinc/09/56/33/132095633.db2.gz KUTBNTFZLZHFFC-RHSMWYFYSA-N 0 3 299.370 2.984 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000178791544 393449950 /nfs/dbraw/zinc/44/99/50/393449950.db2.gz BNWGSTXOFZSLKP-HUUCEWRRSA-N 0 3 276.355 2.991 20 30 CFEDHN CN(C)c1cccc(CNCC(C)(C)CCC#N)n1 ZINC000179033725 393451220 /nfs/dbraw/zinc/45/12/20/393451220.db2.gz OTHAKCAOOORIJG-UHFFFAOYSA-N 0 3 260.385 2.567 20 30 CFEDHN Cc1noc(C2CCN(Cc3ccc(C#N)cc3C)CC2)n1 ZINC000186174261 393540290 /nfs/dbraw/zinc/54/02/90/393540290.db2.gz HTSAZHXNUAFJOB-UHFFFAOYSA-N 0 3 296.374 2.938 20 30 CFEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000186191761 393541576 /nfs/dbraw/zinc/54/15/76/393541576.db2.gz NBORKGSDVKTXBM-QGZVFWFLSA-N 0 3 299.418 2.605 20 30 CFEDHN N#CC1(NC(=O)[C@@H](C2CC2)N2CCCC2)CCSCC1 ZINC000329527790 393541639 /nfs/dbraw/zinc/54/16/39/393541639.db2.gz SGWHOMWTBBMCDW-CYBMUJFWSA-N 0 3 293.436 2.607 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000374314345 393492658 /nfs/dbraw/zinc/49/26/58/393492658.db2.gz WDQGHDSVBKLGGE-CVEARBPZSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCCCCN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000374482588 393497158 /nfs/dbraw/zinc/49/71/58/393497158.db2.gz PYMVWYGXDHASHP-UHFFFAOYSA-N 0 3 286.419 2.688 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000181542484 393497862 /nfs/dbraw/zinc/49/78/62/393497862.db2.gz MIJFJCZLKWHXPS-HZPDHXFCSA-N 0 3 286.419 2.969 20 30 CFEDHN CCC[C@@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305829521 393504103 /nfs/dbraw/zinc/50/41/03/393504103.db2.gz OGKHUPHAQJFYPN-ZWNOBZJWSA-N 0 3 250.317 2.509 20 30 CFEDHN CC(C)[C@H](O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000305830008 393504377 /nfs/dbraw/zinc/50/43/77/393504377.db2.gz SZQTVSJCUOWLNP-XHDPSFHLSA-N 0 3 264.344 2.755 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000184269413 393526452 /nfs/dbraw/zinc/52/64/52/393526452.db2.gz IMILNINFVZSOAU-JTQLQIEISA-N 0 3 291.725 2.968 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)NC2CCCC2)C1(C)C ZINC000329445353 393534993 /nfs/dbraw/zinc/53/49/93/393534993.db2.gz BISAGVBCFLORMV-LERXQTSPSA-N 0 3 268.401 2.535 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCCN2CC)CC(=O)N1 ZINC000329470943 393537449 /nfs/dbraw/zinc/53/74/49/393537449.db2.gz YPAHTIIBIYWVJH-MJBXVCDLSA-N 0 3 295.427 2.962 20 30 CFEDHN CCCc1nc(C(=O)N[C@H]2CCN(C3CCCC3)C2)co1 ZINC000329499668 393538862 /nfs/dbraw/zinc/53/88/62/393538862.db2.gz HDCXWESEWBBABP-LBPRGKRZSA-N 0 3 291.395 2.949 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1nc2ccccc2n1C ZINC000684207286 542776627 /nfs/dbraw/zinc/77/66/27/542776627.db2.gz WQXWLPDOJCXIOS-ZDUSSCGKSA-N 0 3 273.380 2.817 20 30 CFEDHN C=CCSCCNCc1cnn(Cc2ccccc2)c1 ZINC000222059218 413066350 /nfs/dbraw/zinc/06/63/50/413066350.db2.gz NSBGGFATCOJOTH-UHFFFAOYSA-N 0 3 287.432 2.940 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@]2(CCOC2)C1 ZINC000187709040 393557141 /nfs/dbraw/zinc/55/71/41/393557141.db2.gz HSVHDJNHLLMVLA-CJNGLKHVSA-N 0 3 256.349 2.732 20 30 CFEDHN CC(C)(O)C(C)(C)CNCc1ccc(C#N)cc1F ZINC000393679243 393594817 /nfs/dbraw/zinc/59/48/17/393594817.db2.gz LPEFLGAIGZUNHN-UHFFFAOYSA-N 0 3 264.344 2.584 20 30 CFEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@H]1CCOC1 ZINC000398826738 393598251 /nfs/dbraw/zinc/59/82/51/393598251.db2.gz AGAPWNODDJJAKG-GFCCVEGCSA-N 0 3 264.756 2.680 20 30 CFEDHN C=C(C)CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000334197487 393579419 /nfs/dbraw/zinc/57/94/19/393579419.db2.gz JAGNQEHXWRJGRS-OAHLLOKOSA-N 0 3 276.424 2.677 20 30 CFEDHN CC(C#N)C(=O)N1CCCN(c2ccccc2Cl)CC1 ZINC000335112188 393643139 /nfs/dbraw/zinc/64/31/39/393643139.db2.gz WQJCYBRUQKDBEF-GFCCVEGCSA-N 0 3 291.782 2.538 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc2cccnc2s1 ZINC000411642547 393733296 /nfs/dbraw/zinc/73/32/96/393733296.db2.gz NLTNAYOXVQUTSU-UHFFFAOYSA-N 0 3 290.436 2.631 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccccc1F ZINC000411644156 393733796 /nfs/dbraw/zinc/73/37/96/393733796.db2.gz QMLBBKQFHRVWIE-UHFFFAOYSA-N 0 3 250.361 2.765 20 30 CFEDHN CCOC(=O)C(C)(C)C1CCN([C@@H](C)CCC#N)CC1 ZINC000411717964 393741514 /nfs/dbraw/zinc/74/15/14/393741514.db2.gz IPYIYPFGLBHTEB-ZDUSSCGKSA-N 0 3 280.412 2.980 20 30 CFEDHN CCCN(CCN1CCCCC1)C[C@H](C#N)CCC#N ZINC000411725497 393742743 /nfs/dbraw/zinc/74/27/43/393742743.db2.gz GBWVOFROOGGAEN-INIZCTEOSA-N 0 3 276.428 2.628 20 30 CFEDHN COc1cccc([C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000335724338 393693602 /nfs/dbraw/zinc/69/36/02/393693602.db2.gz CZWNMIQZDPTIKC-BXUZGUMPSA-N 0 3 258.321 2.518 20 30 CFEDHN CO[C@@](C)([C@H](C)NCC#Cc1ccc(F)cc1)C1CC1 ZINC000411975042 393758754 /nfs/dbraw/zinc/75/87/54/393758754.db2.gz UUWBHVXQZFUFLU-GUYCJALGSA-N 0 3 275.367 2.970 20 30 CFEDHN CN(C)CCN(C(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000077542751 393699496 /nfs/dbraw/zinc/69/94/96/393699496.db2.gz DLJHIIVZPVLEGM-UHFFFAOYSA-N 0 3 299.418 2.895 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000412018365 393759480 /nfs/dbraw/zinc/75/94/80/393759480.db2.gz BGIOBWNJEYGWNA-WWGRRREGSA-N 0 3 279.428 2.550 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411991126 393759714 /nfs/dbraw/zinc/75/97/14/393759714.db2.gz UBKGUFQDTMJQMR-DOTOQJQBSA-N 0 3 298.430 2.947 20 30 CFEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000412048038 393760866 /nfs/dbraw/zinc/76/08/66/393760866.db2.gz PTKCDZREWWQJDF-HLLBOEOZSA-N 0 3 289.806 2.784 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412904544 393776106 /nfs/dbraw/zinc/77/61/06/393776106.db2.gz XAJNCMWMZYIOMJ-QWHCGFSZSA-N 0 3 294.395 2.507 20 30 CFEDHN N#CCCSCCCN1CCN(c2ccccc2)CC1 ZINC000413018826 393778791 /nfs/dbraw/zinc/77/87/91/393778791.db2.gz RGYYDIXXKNJZEU-UHFFFAOYSA-N 0 3 289.448 2.846 20 30 CFEDHN C[C@H](C#N)CN(C(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC000338358337 393784133 /nfs/dbraw/zinc/78/41/33/393784133.db2.gz XACMPGQQPGSJCH-CYBMUJFWSA-N 0 3 285.391 2.512 20 30 CFEDHN C[C@@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1[C@H](C)CC[C@H]1C ZINC000413471140 393784403 /nfs/dbraw/zinc/78/44/03/393784403.db2.gz NCHYJAWKGFVEBW-NPCUJANDSA-N 0 3 291.439 2.836 20 30 CFEDHN COC(=O)CCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093341649 393797729 /nfs/dbraw/zinc/79/77/29/393797729.db2.gz ZEXZYCWPZGWSIJ-UHFFFAOYSA-N 0 3 292.404 2.785 20 30 CFEDHN CC(C)CCN(CCC#N)C(=O)C1CCN(C2CC2)CC1 ZINC000338836096 393802069 /nfs/dbraw/zinc/80/20/69/393802069.db2.gz ZWSLBKLCDCJBRO-UHFFFAOYSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCSCCNCc1cc(C(=O)OC)c(CC)o1 ZINC000338938029 393806177 /nfs/dbraw/zinc/80/61/77/393806177.db2.gz UHDWJFRHYNWDQN-UHFFFAOYSA-N 0 3 283.393 2.637 20 30 CFEDHN COc1ccccc1CCN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000338962352 393807571 /nfs/dbraw/zinc/80/75/71/393807571.db2.gz GIICNZHYLCSVGF-DZGCQCFKSA-N 0 3 258.365 2.862 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000339066625 393814888 /nfs/dbraw/zinc/81/48/88/393814888.db2.gz GXFYUHGTWQCUHY-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1c(C)nn(C)c1C ZINC000339086143 393816544 /nfs/dbraw/zinc/81/65/44/393816544.db2.gz YGBUGTVMKLQAMM-MCIONIFRSA-N 0 3 260.385 2.770 20 30 CFEDHN C=CCSc1nnc(CCN2CCCCC2)n1CC=C ZINC000339073143 393816812 /nfs/dbraw/zinc/81/68/12/393816812.db2.gz VLLGHRCPGFLYAG-UHFFFAOYSA-N 0 3 292.452 2.771 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342988979 393876973 /nfs/dbraw/zinc/87/69/73/393876973.db2.gz IBVGOXKWUHVYJG-KCQAQPDRSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000343012133 393877307 /nfs/dbraw/zinc/87/73/07/393877307.db2.gz WLCWBNVCIDPFSV-IHRRRGAJSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000343012132 393877348 /nfs/dbraw/zinc/87/73/48/393877348.db2.gz WLCWBNVCIDPFSV-BFHYXJOUSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCCC[C@H]2C)C1=O ZINC000343595368 393887944 /nfs/dbraw/zinc/88/79/44/393887944.db2.gz ATACDVKORABCNB-ILXRZTDVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(CNC(=O)[C@@H](CC)N(CC)CC)c1ccccc1 ZINC000345623115 393912694 /nfs/dbraw/zinc/91/26/94/393912694.db2.gz LALGCKBCRRXJSG-MRXNPFEDSA-N 0 3 274.408 2.936 20 30 CFEDHN CC[C@@]1(C)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344214531 393897161 /nfs/dbraw/zinc/89/71/61/393897161.db2.gz IRQNBXHUPDSDFH-WMZOPIPTSA-N 0 3 297.402 2.786 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@](C)(CC)C1 ZINC000344234237 393897275 /nfs/dbraw/zinc/89/72/75/393897275.db2.gz JCQOKVIOCGGEML-GDBMZVCRSA-N 0 3 266.429 2.922 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccccc2C#N)C1(C)C ZINC000345717424 393913999 /nfs/dbraw/zinc/91/39/99/393913999.db2.gz YXPWXEOUXPSTNM-KCPJHIHWSA-N 0 3 258.365 2.707 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000684671345 542843320 /nfs/dbraw/zinc/84/33/20/542843320.db2.gz LXNHAUARNKFVFU-HZPDHXFCSA-N 0 3 284.403 2.773 20 30 CFEDHN CC(C)N(CC(=O)Nc1ccc(C#N)cc1)C1CCC1 ZINC000119728565 393924708 /nfs/dbraw/zinc/92/47/08/393924708.db2.gz AXFQAAZVXMMVTO-UHFFFAOYSA-N 0 3 271.364 2.760 20 30 CFEDHN Cc1ccc(C(C)(C)CN(C)C(=O)C(C)C#N)cc1 ZINC000346264098 393925169 /nfs/dbraw/zinc/92/51/69/393925169.db2.gz QATDPNUWWQEKBJ-ZDUSSCGKSA-N 0 3 258.365 2.891 20 30 CFEDHN CCC[C@@]1(C)CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346286471 393925241 /nfs/dbraw/zinc/92/52/41/393925241.db2.gz VAHMLPMJNDLRES-ZBFHGGJFSA-N 0 3 291.439 2.840 20 30 CFEDHN CCC[C@]1(C)CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346286469 393925533 /nfs/dbraw/zinc/92/55/33/393925533.db2.gz VAHMLPMJNDLRES-GOEBONIOSA-N 0 3 291.439 2.840 20 30 CFEDHN COc1cc(C#N)ccc1CN(C[C@@H](C)OC)C(C)C ZINC000347269864 393938411 /nfs/dbraw/zinc/93/84/11/393938411.db2.gz VMAZRGHXRWLEGL-CYBMUJFWSA-N 0 3 276.380 2.812 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CC[C@H](C(=O)OC)C2)cc1 ZINC000435300890 394018069 /nfs/dbraw/zinc/01/80/69/394018069.db2.gz WGROQRWZHGULDQ-LSDHHAIUSA-N 0 3 289.375 2.683 20 30 CFEDHN COc1ccc(-c2n[nH]cc2CNCC2(CC#N)CC2)cc1 ZINC000430036763 393954692 /nfs/dbraw/zinc/95/46/92/393954692.db2.gz FQQVQODQTUGHDE-UHFFFAOYSA-N 0 3 296.374 2.869 20 30 CFEDHN CN(C)CCN(Cc1ccccn1)CC(C)(C)CCC#N ZINC000349273864 393966785 /nfs/dbraw/zinc/96/67/85/393966785.db2.gz FOJGDXZBWSQLHY-UHFFFAOYSA-N 0 3 288.439 2.775 20 30 CFEDHN CC(C#N)C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000349535619 393971263 /nfs/dbraw/zinc/97/12/63/393971263.db2.gz LEZYNDSAIKRVFD-CYBMUJFWSA-N 0 3 256.349 2.818 20 30 CFEDHN CC(C)C(=O)NC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000265547627 393974106 /nfs/dbraw/zinc/97/41/06/393974106.db2.gz SGXYRLDTCIVGTC-CQSZACIVSA-N 0 3 299.418 2.856 20 30 CFEDHN CC1=C[C@@H](C)CN(CCOc2ccc(C#N)cc2)C1 ZINC000430271447 393976261 /nfs/dbraw/zinc/97/62/61/393976261.db2.gz XVHGDCCVGPYGIZ-CYBMUJFWSA-N 0 3 256.349 2.835 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(C#N)s1 ZINC000487251652 393991609 /nfs/dbraw/zinc/99/16/09/393991609.db2.gz ZBIXGWNHTCZAAE-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN N#CCCCCNCc1cc(O)ccc1Br ZINC000124689866 393998619 /nfs/dbraw/zinc/99/86/19/393998619.db2.gz FHECBUZVMYENKL-UHFFFAOYSA-N 0 3 283.169 2.938 20 30 CFEDHN COc1ccc(C#N)cc1CN(C(C)C)C1CCOCC1 ZINC000125515159 394008692 /nfs/dbraw/zinc/00/86/92/394008692.db2.gz OLDFNRDOQGECRX-UHFFFAOYSA-N 0 3 288.391 2.956 20 30 CFEDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc(F)cc2C#N)C[C@@H](C)C1 ZINC000488770076 394038760 /nfs/dbraw/zinc/03/87/60/394038760.db2.gz ZSUONDGZZQSXQH-XNJGSVPQSA-N 0 3 287.382 2.864 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354571992 394048507 /nfs/dbraw/zinc/04/85/07/394048507.db2.gz DNGYBTRDYIRFQE-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN C#C[C@@H](C)N(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491544893 394052702 /nfs/dbraw/zinc/05/27/02/394052702.db2.gz NZABOZFDQIYSDV-ZIAGYGMSSA-N 0 3 280.412 2.587 20 30 CFEDHN C#CCN(Cc1cc(OC)c(O)c(OC)c1)C1CCCC1 ZINC000491668348 394055605 /nfs/dbraw/zinc/05/56/05/394055605.db2.gz MODIAAZLLSBNAH-UHFFFAOYSA-N 0 3 289.375 2.787 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000355261073 394061386 /nfs/dbraw/zinc/06/13/86/394061386.db2.gz CVSSFHIHOSZORP-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278748612 394062665 /nfs/dbraw/zinc/06/26/65/394062665.db2.gz LZMRZJJJYHIMOQ-OCCSQVGLSA-N 0 3 298.308 2.866 20 30 CFEDHN CC[C@@H](N[C@H](CCOC)COC)c1ccc(C#N)cc1 ZINC000353638602 394033146 /nfs/dbraw/zinc/03/31/46/394033146.db2.gz BCTVGZOXBDFTFI-HZPDHXFCSA-N 0 3 276.380 2.650 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2)C(C)C)C1=O ZINC000281983313 394105420 /nfs/dbraw/zinc/10/54/20/394105420.db2.gz MCWBPAGSMVNCIP-CVEARBPZSA-N 0 3 272.392 2.760 20 30 CFEDHN CN(C)C1CN(c2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000273214847 394033789 /nfs/dbraw/zinc/03/37/89/394033789.db2.gz HETVDRQEBJZFDB-UHFFFAOYSA-N 0 3 286.766 2.510 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1C ZINC000488037403 394035310 /nfs/dbraw/zinc/03/53/10/394035310.db2.gz DSNJXYWNIYLJHL-MRXNPFEDSA-N 0 3 291.826 2.984 20 30 CFEDHN CC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1Cl ZINC000439290899 394110772 /nfs/dbraw/zinc/11/07/72/394110772.db2.gz ARCCEXOFZIPICI-HNNXBMFYSA-N 0 3 278.783 2.949 20 30 CFEDHN CN(Cc1ccc(C#N)cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000439445268 394115726 /nfs/dbraw/zinc/11/57/26/394115726.db2.gz BUEHPZHPZUNCFI-HNNXBMFYSA-N 0 3 289.810 2.880 20 30 CFEDHN C=CCC[C@H](CC)NCc1ncnn1C(C)(C)C ZINC000282898195 394127447 /nfs/dbraw/zinc/12/74/47/394127447.db2.gz WOBRYJIKEPQTSO-LBPRGKRZSA-N 0 3 250.390 2.868 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccncc2OCC(F)F)C1 ZINC000442862431 394140210 /nfs/dbraw/zinc/14/02/10/394140210.db2.gz ZZHIRZIXROSFHL-WCQYABFASA-N 0 3 295.333 2.897 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC(CC)(CC)C2)CC1 ZINC000445891988 394147244 /nfs/dbraw/zinc/14/72/44/394147244.db2.gz YHRFESLFQSLKRP-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@@H](C(=O)NCC(C)(C)CCC#N)N1[C@H](C)CC[C@@H]1C ZINC000360427525 394151642 /nfs/dbraw/zinc/15/16/42/394151642.db2.gz VHRHBMNJWNKUNJ-MJBXVCDLSA-N 0 3 279.428 2.694 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)cc1F ZINC000448511540 394155453 /nfs/dbraw/zinc/15/54/53/394155453.db2.gz USQOOQKLEKUHTA-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN C=C(C)CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360630105 394156041 /nfs/dbraw/zinc/15/60/41/394156041.db2.gz PXUXJPGJWUGBOW-UHFFFAOYSA-N 0 3 263.356 2.771 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000360642704 394157080 /nfs/dbraw/zinc/15/70/80/394157080.db2.gz WFGFEZUVSOLOAC-XBFCOCLRSA-N 0 3 272.348 2.508 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](CCO)CC2)c1F ZINC000421018815 394159709 /nfs/dbraw/zinc/15/97/09/394159709.db2.gz OZNBFWVQXRWBQB-CYBMUJFWSA-N 0 3 276.355 2.682 20 30 CFEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NCC#N ZINC000360948279 394161580 /nfs/dbraw/zinc/16/15/80/394161580.db2.gz QSAMMIXSMNWODI-INIZCTEOSA-N 0 3 271.408 2.573 20 30 CFEDHN CC(C#N)C(=O)N(C)CCc1cccc(Br)c1 ZINC000361040241 394163782 /nfs/dbraw/zinc/16/37/82/394163782.db2.gz KCIKAMGFAKLNJC-JTQLQIEISA-N 0 3 295.180 2.610 20 30 CFEDHN N#C[C@@H]1CCC[C@H](Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000361077200 394164871 /nfs/dbraw/zinc/16/48/71/394164871.db2.gz GKWIATHQPCYEED-HFTRVMKXSA-N 0 3 299.418 2.747 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)C[S@@](C)=O)c1ccco1 ZINC000285915407 394165263 /nfs/dbraw/zinc/16/52/63/394165263.db2.gz CBMMYERAQMTQNG-NVGCLXPQSA-N 0 3 255.383 2.644 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(COC)CCC1 ZINC000361374098 394171343 /nfs/dbraw/zinc/17/13/43/394171343.db2.gz FAQYORBVSHFWCQ-UHFFFAOYSA-N 0 3 293.407 2.967 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)c(F)c2)cc1 ZINC000421384748 394213612 /nfs/dbraw/zinc/21/36/12/394213612.db2.gz KWKCNAZDOOERQY-KRWDZBQOSA-N 0 3 298.361 2.699 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2ccc(C#N)c(F)c2)c1 ZINC000421384632 394214070 /nfs/dbraw/zinc/21/40/70/394214070.db2.gz KKYAXHVUWARRCU-QGZVFWFLSA-N 0 3 298.361 2.699 20 30 CFEDHN Cc1cc(CNCc2cccc(C#N)c2)cc(C)n1 ZINC000421393657 394218486 /nfs/dbraw/zinc/21/84/86/394218486.db2.gz YWLZDMZMSBUZJD-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN C=C[C@@H](CO)NC1CC(c2ccc(Br)cc2)C1 ZINC000289911302 394223747 /nfs/dbraw/zinc/22/37/47/394223747.db2.gz ULBUSIFLLSUPRK-QRMWWUJWSA-N 0 3 296.208 2.832 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccccn2)s1 ZINC000449518715 394280963 /nfs/dbraw/zinc/28/09/63/394280963.db2.gz KNXQDBRZUFJGOI-OCCSQVGLSA-N 0 3 287.388 2.638 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000449630778 394282364 /nfs/dbraw/zinc/28/23/64/394282364.db2.gz JBNYTBZUEWFKGO-CVEARBPZSA-N 0 3 270.376 2.948 20 30 CFEDHN COCCCN(C)CC#Cc1cccc(Cl)c1 ZINC000156366953 394332572 /nfs/dbraw/zinc/33/25/72/394332572.db2.gz FUWLBXSGSYSUDC-UHFFFAOYSA-N 0 3 251.757 2.660 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000372158051 394307271 /nfs/dbraw/zinc/30/72/71/394307271.db2.gz SKRJPCBOVZQIIA-JKSUJKDBSA-N 0 3 273.351 2.536 20 30 CFEDHN C[C@](C#N)(NC(=O)CN1CCCC12CCCCC2)C1CC1 ZINC000372280296 394309218 /nfs/dbraw/zinc/30/92/18/394309218.db2.gz DZIAPFQWXYKNQX-MRXNPFEDSA-N 0 3 289.423 2.594 20 30 CFEDHN C[C@@](C#N)(NC(=O)CN1CCCC12CCCCC2)C1CC1 ZINC000372280295 394309275 /nfs/dbraw/zinc/30/92/75/394309275.db2.gz DZIAPFQWXYKNQX-INIZCTEOSA-N 0 3 289.423 2.594 20 30 CFEDHN CCCN(CCC)Cc1cnc2ccc(C#N)cn12 ZINC000158049089 394353928 /nfs/dbraw/zinc/35/39/28/394353928.db2.gz ABVALOJSVDDSGY-UHFFFAOYSA-N 0 3 256.353 2.828 20 30 CFEDHN CC(C)C[C@]1(C)CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000451293968 394374283 /nfs/dbraw/zinc/37/42/83/394374283.db2.gz XEATUBNKNLHLHE-DLBZAZTESA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)(C#N)CCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000174831123 394379955 /nfs/dbraw/zinc/37/99/55/394379955.db2.gz LNAADXUSXJLKJI-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN N#CCCCCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175163664 394380425 /nfs/dbraw/zinc/38/04/25/394380425.db2.gz YMPBZNCUQRVTEC-KRWDZBQOSA-N 0 3 299.418 2.965 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453345315 394388454 /nfs/dbraw/zinc/38/84/54/394388454.db2.gz HXZYVWPDWQJBIZ-BXUZGUMPSA-N 0 3 262.328 2.675 20 30 CFEDHN C=CCN1CC[C@@H](N(C2CC2)C2CCCCC2)C1=O ZINC000685000407 542886237 /nfs/dbraw/zinc/88/62/37/542886237.db2.gz GRZDKISBCZSTSH-OAHLLOKOSA-N 0 3 262.397 2.570 20 30 CFEDHN COc1ccc(CC[C@H](C)NCC2(C#N)CC2)cc1O ZINC000575114573 335067033 /nfs/dbraw/zinc/06/70/33/335067033.db2.gz YEJWSXZCSWOXDS-LBPRGKRZSA-N 0 3 274.364 2.615 20 30 CFEDHN N#Cc1cccc(C2(NCCC(=O)NC3CCCC3)CC2)c1 ZINC000556512687 395003472 /nfs/dbraw/zinc/00/34/72/395003472.db2.gz PHKDZBRVTVPSOZ-UHFFFAOYSA-N 0 3 297.402 2.586 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000556885362 395023262 /nfs/dbraw/zinc/02/32/62/395023262.db2.gz XBDKBLYKJHIPQU-ZIAGYGMSSA-N 0 3 264.394 2.745 20 30 CFEDHN N#CCC[C@H](C#N)CNCCc1c[nH]c2ccc(F)cc12 ZINC000578795357 395097251 /nfs/dbraw/zinc/09/72/51/395097251.db2.gz DMWBROPZAVBOLT-GFCCVEGCSA-N 0 3 284.338 2.883 20 30 CFEDHN CC[C@H](C)N[C@@H](CNc1ccncc1C#N)c1ccco1 ZINC000557693896 395043720 /nfs/dbraw/zinc/04/37/20/395043720.db2.gz NLMAVLUFFWQLPH-WFASDCNBSA-N 0 3 284.363 2.509 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647302297 395280894 /nfs/dbraw/zinc/28/08/94/395280894.db2.gz OIDSYLRWFVREIR-VBQJREDUSA-N 0 3 289.423 2.851 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(OCC2CCCCC2)CC1 ZINC000649323861 395473656 /nfs/dbraw/zinc/47/36/56/395473656.db2.gz UNQMSGLUALNBRI-QGZVFWFLSA-N 0 3 281.440 2.985 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894535 395586286 /nfs/dbraw/zinc/58/62/86/395586286.db2.gz OGGLTZJUAMJKJJ-BLLLJJGKSA-N 0 3 263.356 2.724 20 30 CFEDHN C=CCOCCNCc1ccc2nc(C)ccc2c1 ZINC000381755211 543091119 /nfs/dbraw/zinc/09/11/19/543091119.db2.gz VGVKIWAHZCXMFN-UHFFFAOYSA-N 0 3 256.349 2.835 20 30 CFEDHN Cc1c(C(=O)C(C#N)c2cnc3ccccc3n2)ccn1C ZINC000195028825 543096523 /nfs/dbraw/zinc/09/65/23/543096523.db2.gz QENBCFIRAZWFJZ-ZDUSSCGKSA-N 0 3 290.326 2.767 20 30 CFEDHN C#C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C(C)(C)C ZINC000491692105 397581859 /nfs/dbraw/zinc/58/18/59/397581859.db2.gz QJKWTPIMMPDWSI-CABCVRRESA-N 0 3 276.424 2.558 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(Cl)cc(F)cc2C1 ZINC000336290348 289235370 /nfs/dbraw/zinc/23/53/70/289235370.db2.gz XOOASGAMOLBWBI-MRVPVSSYSA-N 0 3 266.703 2.523 20 30 CFEDHN C=CCN(CCOC)CCSc1cccc(OC)c1 ZINC000660404422 413289305 /nfs/dbraw/zinc/28/93/05/413289305.db2.gz ZGVDALPMJKZTHU-UHFFFAOYSA-N 0 3 281.421 2.922 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)N1CCCC[C@@H]1C ZINC000343281405 154166177 /nfs/dbraw/zinc/16/61/77/154166177.db2.gz CKEONMVQCCWZNJ-STQMWFEESA-N 0 3 277.437 2.972 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000345689035 154240529 /nfs/dbraw/zinc/24/05/29/154240529.db2.gz FKYRKWGILMSCNY-ZWKOPEQDSA-N 0 3 264.394 2.769 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(C#N)s1)N1CCCC[C@@H]1C ZINC000362956541 156127363 /nfs/dbraw/zinc/12/73/63/156127363.db2.gz ACJFYBTVEZIUPB-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN Cc1cc(CN2CCN(C3CCCC3)CC2)ccc1C#N ZINC000362965968 156131451 /nfs/dbraw/zinc/13/14/51/156131451.db2.gz HTWOJRREVDKYAA-UHFFFAOYSA-N 0 3 283.419 2.927 20 30 CFEDHN Cc1cccc(NC2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000367467676 156339093 /nfs/dbraw/zinc/33/90/93/156339093.db2.gz TVIMZXIFGONPRP-UHFFFAOYSA-N 0 3 296.374 2.931 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@H](c4ccco4)C3)n2c1 ZINC000371331403 156761719 /nfs/dbraw/zinc/76/17/19/156761719.db2.gz HLGDHPZAKJZQJC-AWEZNQCLSA-N 0 3 292.342 2.788 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657208946 413339984 /nfs/dbraw/zinc/33/99/84/413339984.db2.gz JFPPPIVNMMGEFX-WBVHZDCISA-N 0 3 273.376 2.862 20 30 CFEDHN Cn1cc(CN2CCC(Cc3cccnc3)CC2)cc1C#N ZINC000373819247 157034174 /nfs/dbraw/zinc/03/41/74/157034174.db2.gz WAKQXWAAWRWMAU-UHFFFAOYSA-N 0 3 294.402 2.746 20 30 CFEDHN N#Cc1ccc(CN2CCC(OCC3CC3)CC2)cc1 ZINC000374121616 157071330 /nfs/dbraw/zinc/07/13/30/157071330.db2.gz NPHXBPWJFZEQTA-UHFFFAOYSA-N 0 3 270.376 2.949 20 30 CFEDHN N#Cc1cc(CN2CCCC23CCOCC3)ccc1F ZINC000374289675 157094680 /nfs/dbraw/zinc/09/46/80/157094680.db2.gz VYFUDDAHTFWCIC-UHFFFAOYSA-N 0 3 274.339 2.842 20 30 CFEDHN COCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374312097 157098285 /nfs/dbraw/zinc/09/82/85/157098285.db2.gz UJUYDNWZDAHSLK-UHFFFAOYSA-N 0 3 256.349 2.684 20 30 CFEDHN CN1C[C@H](CNCc2ccc(C#N)o2)Cc2ccccc21 ZINC000375275120 157215160 /nfs/dbraw/zinc/21/51/60/157215160.db2.gz MHQJGZHDSQNWJQ-ZDUSSCGKSA-N 0 3 281.359 2.550 20 30 CFEDHN COc1cc(CN2CCC[C@@H](OC)CC2)ccc1C#N ZINC000375585853 157256727 /nfs/dbraw/zinc/25/67/27/157256727.db2.gz VJZAOJJQSQFPET-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN N#Cc1ccc(F)c(CNC2(C3CC3)CCOCC2)c1 ZINC000375700572 157272977 /nfs/dbraw/zinc/27/29/77/157272977.db2.gz GVDAHMMYPHRENQ-UHFFFAOYSA-N 0 3 274.339 2.746 20 30 CFEDHN C=CCCn1cc(CN2C[C@H](C)CCC[C@H]2C)nn1 ZINC000653559138 413370151 /nfs/dbraw/zinc/37/01/51/413370151.db2.gz KKEXAXBEYZMUDG-ZIAGYGMSSA-N 0 3 262.401 2.865 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000651273466 413389840 /nfs/dbraw/zinc/38/98/40/413389840.db2.gz NPTXAOJVJUMJKH-SJORKVTESA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCc3ccccc3C2)nn1 ZINC000657289197 413400277 /nfs/dbraw/zinc/40/02/77/413400277.db2.gz NVPQKHISNYAXJZ-INIZCTEOSA-N 0 3 282.391 2.501 20 30 CFEDHN CCC1(NCc2ccc(C#N)cc2F)CCOCC1 ZINC000341715761 161607245 /nfs/dbraw/zinc/60/72/45/161607245.db2.gz VHXVWIXSOSWLNF-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN C[C@@]1(NCc2cccc(C#N)c2F)CCO[C@@H]1C1CC1 ZINC000344373728 162026058 /nfs/dbraw/zinc/02/60/58/162026058.db2.gz JBECAFQHLDKARO-HZPDHXFCSA-N 0 3 274.339 2.745 20 30 CFEDHN CC[C@@H](C)[C@](C)(O)CNCc1ccc(C#N)cc1F ZINC000344382395 162030668 /nfs/dbraw/zinc/03/06/68/162030668.db2.gz OWDMQJKSHUDRKR-IAQYHMDHSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@H](NCCCCCO)c1ccc(C#N)cc1F ZINC000344394809 162032993 /nfs/dbraw/zinc/03/29/93/162032993.db2.gz RBRSHDXHNASGNE-NSHDSACASA-N 0 3 250.317 2.511 20 30 CFEDHN Cc1cn2c(n1)[C@H](CNCc1ccc(C#N)cc1F)CCC2 ZINC000344506142 162057930 /nfs/dbraw/zinc/05/79/30/162057930.db2.gz AKSJCFFEOZUHTQ-HNNXBMFYSA-N 0 3 298.365 2.870 20 30 CFEDHN N#Cc1ccc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000344599203 162075951 /nfs/dbraw/zinc/07/59/51/162075951.db2.gz GCYQOHBNDJHUEA-UHFFFAOYSA-N 0 3 287.344 2.860 20 30 CFEDHN CO[C@@H](CCNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000344867808 162138367 /nfs/dbraw/zinc/13/83/67/162138367.db2.gz QMRIQSQQZUCCPH-LBPRGKRZSA-N 0 3 290.260 2.754 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000346195583 162349344 /nfs/dbraw/zinc/34/93/44/162349344.db2.gz RZBMXZLCJAQKGS-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN C[C@H](NCCOCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346199932 162350027 /nfs/dbraw/zinc/35/00/27/162350027.db2.gz QIPYMLBBEKIANW-VIFPVBQESA-N 0 3 290.260 2.927 20 30 CFEDHN CCN(CCN1CCCCCC1)C(=O)c1cccc(C#N)c1 ZINC000346349810 162389006 /nfs/dbraw/zinc/38/90/06/162389006.db2.gz QNMWTTVRYGVWGX-UHFFFAOYSA-N 0 3 299.418 2.896 20 30 CFEDHN CC[C@H](C)CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000350810358 163107353 /nfs/dbraw/zinc/10/73/53/163107353.db2.gz IHFRNHZOLAHDAZ-ZDUSSCGKSA-N 0 3 275.371 2.865 20 30 CFEDHN C[C@H]1CC[C@H](N(CCO)Cc2cccc(C#N)c2F)C1 ZINC000351633468 163161640 /nfs/dbraw/zinc/16/16/40/163161640.db2.gz ZDQSEDXLBMLSOV-WFASDCNBSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)c(F)c2)C1 ZINC000351645186 163165313 /nfs/dbraw/zinc/16/53/13/163165313.db2.gz CQPVSMLSWTZBJK-IUODEOHRSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H](C)C2)nn1 ZINC000657328509 413456481 /nfs/dbraw/zinc/45/64/81/413456481.db2.gz XURJFPLEPNQYPT-UONOGXRCSA-N 0 3 262.401 2.770 20 30 CFEDHN CCOCCC1(CNCc2nc(C#N)cs2)CCC1 ZINC000352811825 163238526 /nfs/dbraw/zinc/23/85/26/163238526.db2.gz UULTVVVTLSIPAX-UHFFFAOYSA-N 0 3 279.409 2.701 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C#N)c(F)c2)CCOC1 ZINC000352837944 163246711 /nfs/dbraw/zinc/24/67/11/163246711.db2.gz IPGYVGFUDUISKQ-OAHLLOKOSA-N 0 3 262.328 2.746 20 30 CFEDHN C[C@@H](CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352835471 163246809 /nfs/dbraw/zinc/24/68/09/163246809.db2.gz PKBGAEARWQZTEM-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352847528 163251846 /nfs/dbraw/zinc/25/18/46/163251846.db2.gz UQVWOFOAAZTZCF-RISCZKNCSA-N 0 3 293.436 2.946 20 30 CFEDHN C[C@@H]1CC(CCNCc2nc(C#N)cs2)C[C@@H](C)O1 ZINC000352860394 163254974 /nfs/dbraw/zinc/25/49/74/163254974.db2.gz BEKCDCLUELHXOP-GHMZBOCLSA-N 0 3 279.409 2.698 20 30 CFEDHN Cc1cccnc1C(C)(C)CNCc1ccc(C#N)o1 ZINC000353067579 163301712 /nfs/dbraw/zinc/30/17/12/163301712.db2.gz CCBRDXGVRVUIGQ-UHFFFAOYSA-N 0 3 269.348 2.922 20 30 CFEDHN C[S@@](=O)Cc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000353123798 163311753 /nfs/dbraw/zinc/31/17/53/163311753.db2.gz XUBLHUIVXSTIRI-OAQYLSRUSA-N 0 3 298.411 2.727 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CC1)OCCCO2 ZINC000293182969 287130904 /nfs/dbraw/zinc/13/09/04/287130904.db2.gz WTLKYWCIKWPGQG-AWEZNQCLSA-N 0 3 286.375 2.848 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCOCC2(CC2)C1 ZINC000335315593 287131530 /nfs/dbraw/zinc/13/15/30/287131530.db2.gz KDBGCJPHQCGGFS-ZDUSSCGKSA-N 0 3 256.349 2.732 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2ccnn2)C1 ZINC000425503490 287141851 /nfs/dbraw/zinc/14/18/51/287141851.db2.gz JATXLKRAQAXYFU-XJKSGUPXSA-N 0 3 281.363 2.548 20 30 CFEDHN CC[C@@H]1CN2CCC[C@H]2CN1c1nccc(C#N)c1Cl ZINC000342848469 287232064 /nfs/dbraw/zinc/23/20/64/287232064.db2.gz LVZCSJNKWTWFPT-OLZOCXBDSA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@@H](NCCC1(O)CCC1)c1ccc(C#N)c(F)c1 ZINC000284346568 196036406 /nfs/dbraw/zinc/03/64/06/196036406.db2.gz MAVXGBFWLZZIBA-LLVKDONJSA-N 0 3 262.328 2.653 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284723386 196118868 /nfs/dbraw/zinc/11/88/68/196118868.db2.gz JVQXJMJLDWKYGX-HOTGVXAUSA-N 0 3 256.349 2.702 20 30 CFEDHN C=CCCn1cc(CN[C@H](CCC)C2CCC2)nn1 ZINC000653761601 413487299 /nfs/dbraw/zinc/48/72/99/413487299.db2.gz WZMQRXKAWUUKIP-OAHLLOKOSA-N 0 3 262.401 2.913 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)s1 ZINC000285022201 196180710 /nfs/dbraw/zinc/18/07/10/196180710.db2.gz MWOBPYVVYXVUSB-LSDHHAIUSA-N 0 3 285.372 2.635 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H]1CCc2c1cc(F)cc2F ZINC000651469648 413488409 /nfs/dbraw/zinc/48/84/09/413488409.db2.gz UJVZHSMZRJTUIQ-NHYWBVRUSA-N 0 3 267.319 2.869 20 30 CFEDHN CC#CCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806551 413511429 /nfs/dbraw/zinc/51/14/29/413511429.db2.gz RQIVESFYZQVTGE-UHFFFAOYSA-N 0 3 265.360 2.833 20 30 CFEDHN COc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)ccc1C#N ZINC000285059633 196187981 /nfs/dbraw/zinc/18/79/81/196187981.db2.gz LOHHZWPQSATENV-CVEARBPZSA-N 0 3 286.375 2.710 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CO[C@@H](CC)C2)cc1 ZINC000657460568 413633144 /nfs/dbraw/zinc/63/31/44/413633144.db2.gz HKXJXXRWJZYVQU-CABCVRRESA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCCN(C)Cc1cc(F)c(OC)cc1OC ZINC000651782335 413636877 /nfs/dbraw/zinc/63/68/77/413636877.db2.gz MTMTWCRBOJWHJG-UHFFFAOYSA-N 0 3 253.317 2.851 20 30 CFEDHN C=CCCn1cc(CNC(C2CCC2)C2CCC2)nn1 ZINC000657466253 413642361 /nfs/dbraw/zinc/64/23/61/413642361.db2.gz SIUZRXBSPKKZLF-UHFFFAOYSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CC(C)(C)CNCc1cnnn1-c1ccccc1 ZINC000651821912 413663092 /nfs/dbraw/zinc/66/30/92/413663092.db2.gz BMWIHDWWHBFTCZ-UHFFFAOYSA-N 0 3 256.353 2.569 20 30 CFEDHN C=C(CC)CNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657484909 413673083 /nfs/dbraw/zinc/67/30/83/413673083.db2.gz QPSKRYGBDSUPAJ-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2cccc(N(C)C)n2)C1 ZINC000651742300 413606779 /nfs/dbraw/zinc/60/67/79/413606779.db2.gz KITDECIOCZKNMK-KBPBESRZSA-N 0 3 259.397 2.982 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NCCN(C)CCCC)C1 ZINC000660850224 413616616 /nfs/dbraw/zinc/61/66/16/413616616.db2.gz PSEMFKXAWIZUMG-OAHLLOKOSA-N 0 3 281.444 2.716 20 30 CFEDHN CC#CCN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660855315 413619015 /nfs/dbraw/zinc/61/90/15/413619015.db2.gz OAENZAGDGODWHW-UHFFFAOYSA-N 0 3 267.376 2.841 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000660855127 413620587 /nfs/dbraw/zinc/62/05/87/413620587.db2.gz JZUJCRATDSEBAA-IIAWOOMASA-N 0 3 293.455 2.903 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000651763656 413622267 /nfs/dbraw/zinc/62/22/67/413622267.db2.gz GSWUXEVZHQAENW-KCPJHIHWSA-N 0 3 276.355 2.687 20 30 CFEDHN C=CCCn1cc(CNC[C@H](CC)CC(F)(F)F)nn1 ZINC000657492211 413681684 /nfs/dbraw/zinc/68/16/84/413681684.db2.gz AAJBOJFJMYYJPY-LLVKDONJSA-N 0 3 290.333 2.922 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660991538 413699560 /nfs/dbraw/zinc/69/95/60/413699560.db2.gz LRIIYIAGHYFLCF-KGLIPLIRSA-N 0 3 281.444 2.903 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCC1 ZINC000654316857 413809333 /nfs/dbraw/zinc/80/93/33/413809333.db2.gz DMVZPMMDNWTCQZ-CABCVRRESA-N 0 3 276.424 2.866 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccc(OC)nn1 ZINC000661114143 413765243 /nfs/dbraw/zinc/76/52/43/413765243.db2.gz DYYJZFJZRLZCFR-JSGCOSHPSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(CC2CC2)nn1 ZINC000661116289 413766288 /nfs/dbraw/zinc/76/62/88/413766288.db2.gz XTCYJDSVECWUBP-GDBMZVCRSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CCCNCc1ccnn1-c1ccccc1OC ZINC000657583583 413770521 /nfs/dbraw/zinc/77/05/21/413770521.db2.gz OKXJNTPGSMFCJF-UHFFFAOYSA-N 0 3 257.337 2.547 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000661121913 413771165 /nfs/dbraw/zinc/77/11/65/413771165.db2.gz HLPLXGFGQIXYPI-CABCVRRESA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCCNCc1ccc(OC)cc1OC(F)F ZINC000657582794 413771498 /nfs/dbraw/zinc/77/14/98/413771498.db2.gz GVYAGPIMDBXKEZ-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN C=CCOCCCNCc1cnc(-c2ccccn2)s1 ZINC000657657743 413823947 /nfs/dbraw/zinc/82/39/47/413823947.db2.gz APKZPDAQRMPXQK-UHFFFAOYSA-N 0 3 289.404 2.887 20 30 CFEDHN C=CCOCCCNCc1cc(-c2ccccc2)n[nH]1 ZINC000657658363 413826991 /nfs/dbraw/zinc/82/69/91/413826991.db2.gz UIFQACNHXHLRTM-UHFFFAOYSA-N 0 3 271.364 2.759 20 30 CFEDHN C=CCOCCCNCc1nccn1-c1ccccc1 ZINC000657659123 413827903 /nfs/dbraw/zinc/82/79/03/413827903.db2.gz ORTJOMFGCKCLKV-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN C=CCOCCCNCc1nccc2ccccc21 ZINC000657658059 413828276 /nfs/dbraw/zinc/82/82/76/413828276.db2.gz KXWHTQIHKVWXCI-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C=CCN(C[C@H](O)Cc1cccc(Cl)c1)[C@H](C)COC ZINC000661240315 413840573 /nfs/dbraw/zinc/84/05/73/413840573.db2.gz NHSGVXHLOQANOG-CZUORRHYSA-N 0 3 297.826 2.766 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000285532611 196316937 /nfs/dbraw/zinc/31/69/37/196316937.db2.gz SNKRUXKVOUKEDP-BRWVUGGUSA-N 0 3 284.403 2.557 20 30 CFEDHN C=CCN(CCOc1ccc(F)cc1)[C@H](C)COC ZINC000661247399 413852192 /nfs/dbraw/zinc/85/21/92/413852192.db2.gz ODVMEOFPRBZGKR-CYBMUJFWSA-N 0 3 267.344 2.727 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N2CCC[C@H](C)C2)C1 ZINC000661376272 413932829 /nfs/dbraw/zinc/93/28/29/413932829.db2.gz ADCYMUCDVDAPPC-GJZGRUSLSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cccc(C(N)=O)c2)C1 ZINC000661379063 413936013 /nfs/dbraw/zinc/93/60/13/413936013.db2.gz RTDQYVFKMZUQLD-ZDUSSCGKSA-N 0 3 258.365 2.574 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCCC[C@@H]2C)C1 ZINC000661378870 413936094 /nfs/dbraw/zinc/93/60/94/413936094.db2.gz NLTMNNALPWUINW-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)CCC)C1 ZINC000661379228 413936227 /nfs/dbraw/zinc/93/62/27/413936227.db2.gz VYDIJGKKFDRDFO-RBSFLKMASA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000654665814 413949637 /nfs/dbraw/zinc/94/96/37/413949637.db2.gz QLCZEQPDABLSRF-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCC[C@@H](NCC[C@@]1(O)CCCOC1)c1ccco1 ZINC000652327467 413892203 /nfs/dbraw/zinc/89/22/03/413892203.db2.gz ZNNYYLUCHXKSRT-ZBFHGGJFSA-N 0 3 279.380 2.808 20 30 CFEDHN C=CCCCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654533709 413895211 /nfs/dbraw/zinc/89/52/11/413895211.db2.gz MRPREPWXHNIMCL-CABCVRRESA-N 0 3 279.428 2.659 20 30 CFEDHN C=CCCCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654533711 413896648 /nfs/dbraw/zinc/89/66/48/413896648.db2.gz MRPREPWXHNIMCL-HUUCEWRRSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654573986 413912254 /nfs/dbraw/zinc/91/22/54/413912254.db2.gz XIXUNOCNJOGOBR-HUUCEWRRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654728895 413986268 /nfs/dbraw/zinc/98/62/68/413986268.db2.gz MXKSHHLJWKKCNE-CVEARBPZSA-N 0 3 291.439 2.611 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000661441546 413988086 /nfs/dbraw/zinc/98/80/86/413988086.db2.gz HYTOTPOPSZWUSJ-RDJZCZTQSA-N 0 3 257.377 2.521 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000661527616 414034359 /nfs/dbraw/zinc/03/43/59/414034359.db2.gz RYQHYLHWTUTTEK-RLFYNMQTSA-N 0 3 298.430 2.894 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CCF)C1 ZINC000661695669 414137501 /nfs/dbraw/zinc/13/75/01/414137501.db2.gz HEWXFBHANGBSHS-HUUCEWRRSA-N 0 3 282.403 2.647 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc2cnccc2o1 ZINC000658031470 414116360 /nfs/dbraw/zinc/11/63/60/414116360.db2.gz GFBPNHRSQRLCTB-DGCLKSJQSA-N 0 3 260.337 2.806 20 30 CFEDHN C=CCN(CC(=O)NCc1ccc(F)cc1)C(C)(C)C ZINC000661756815 414193799 /nfs/dbraw/zinc/19/37/99/414193799.db2.gz WDMBIEWSEICUJT-UHFFFAOYSA-N 0 3 278.371 2.728 20 30 CFEDHN C=CC1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000661899047 414300726 /nfs/dbraw/zinc/30/07/26/414300726.db2.gz TYHMKOWECBFBTD-HNNXBMFYSA-N 0 3 293.455 2.714 20 30 CFEDHN CC(=O)c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1C ZINC000655610390 414339377 /nfs/dbraw/zinc/33/93/77/414339377.db2.gz QBSSDNXCVZYLNI-HNNXBMFYSA-N 0 3 287.363 2.547 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000662037649 414371665 /nfs/dbraw/zinc/37/16/65/414371665.db2.gz WUEBKCHZBRPGHC-HUUCEWRRSA-N 0 3 275.779 2.660 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000658333614 414384106 /nfs/dbraw/zinc/38/41/06/414384106.db2.gz PTOFDFMOPVUKAJ-TZMCWYRMSA-N 0 3 251.757 2.854 20 30 CFEDHN C=C[C@H](CO)NCCSc1cccc(Cl)c1 ZINC000662168779 414440511 /nfs/dbraw/zinc/44/05/11/414440511.db2.gz ULYKRDGTNSMSOR-LLVKDONJSA-N 0 3 257.786 2.569 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC1CCCCC1 ZINC000662081784 414401673 /nfs/dbraw/zinc/40/16/73/414401673.db2.gz XSFKJLNQAUCYIB-GASCZTMLSA-N 0 3 262.397 2.618 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC1CCCCC1 ZINC000662082031 414401787 /nfs/dbraw/zinc/40/17/87/414401787.db2.gz WPVUNZCLNBBWIH-IYBDPMFKSA-N 0 3 276.424 2.866 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1cccs1 ZINC000662081702 414402059 /nfs/dbraw/zinc/40/20/59/414402059.db2.gz RFSVXZYSRZEAQB-MELADBBJSA-N 0 3 290.432 2.936 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000659521491 414529738 /nfs/dbraw/zinc/52/97/38/414529738.db2.gz YPWQGPLJKFJWPN-ZBFHGGJFSA-N 0 3 287.407 2.684 20 30 CFEDHN C=CCCCCCNC(=O)C1(NC2CC2)CCC1 ZINC000662830881 414615588 /nfs/dbraw/zinc/61/55/88/414615588.db2.gz IEYLCKUSZBFBIP-UHFFFAOYSA-N 0 3 250.386 2.524 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000662857514 414622553 /nfs/dbraw/zinc/62/25/53/414622553.db2.gz NNPDSILOTCZHCS-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCOc1ccccc1CN(C[C@H](C)O)C1CC1 ZINC000656280813 414562367 /nfs/dbraw/zinc/56/23/67/414562367.db2.gz LDYDYBPJWYLXSI-ZDUSSCGKSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCC1(C(=O)N2CCNC3(CCCCC3)C2)CCC1 ZINC000656363719 414565018 /nfs/dbraw/zinc/56/50/18/414565018.db2.gz QRQNYZWQWDFJCD-UHFFFAOYSA-N 0 3 276.424 2.868 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@H](OC)[C@H]1CCOC1 ZINC000659815696 414566508 /nfs/dbraw/zinc/56/65/08/414566508.db2.gz ISEVWWLQYGKTMU-DZGCQCFKSA-N 0 3 281.421 2.788 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](N)C2CCC2)CCCC1 ZINC000662620264 414578573 /nfs/dbraw/zinc/57/85/73/414578573.db2.gz FCLLRSYLNWBCOY-AWEZNQCLSA-N 0 3 264.413 2.757 20 30 CFEDHN C=CCCn1cc(CNCC(C)(C)CC(F)(F)F)nn1 ZINC000663356432 414679614 /nfs/dbraw/zinc/67/96/14/414679614.db2.gz JTEKBBDOIRFHNE-UHFFFAOYSA-N 0 3 290.333 2.922 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000320311139 262615170 /nfs/dbraw/zinc/61/51/70/262615170.db2.gz VFUOQMMRMKHUTG-WCQYABFASA-N 0 3 267.344 2.812 20 30 CFEDHN Cc1ccc([C@]2(C)CCN(C(=O)C(C)C#N)C2)cc1 ZINC000334590747 225025819 /nfs/dbraw/zinc/02/58/19/225025819.db2.gz FPMPOCMLGHMDFF-XJKSGUPXSA-N 0 3 256.349 2.645 20 30 CFEDHN COCCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000353855467 225137030 /nfs/dbraw/zinc/13/70/30/225137030.db2.gz NGFZZRASONWJQI-JKSUJKDBSA-N 0 3 288.391 2.884 20 30 CFEDHN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000334743307 225299309 /nfs/dbraw/zinc/29/93/09/225299309.db2.gz RMGFMIBJSRKAAE-BXUZGUMPSA-N 0 3 260.312 2.957 20 30 CFEDHN O=C(CNC(=O)[C@@H]1CCCN1C1CCCC1)NCC1CC1 ZINC000329260091 227389815 /nfs/dbraw/zinc/38/98/15/227389815.db2.gz YUELTSQNMWAVCO-AWEZNQCLSA-N 0 3 293.411 2.716 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000171736614 335076599 /nfs/dbraw/zinc/07/65/99/335076599.db2.gz VVBGMPRPOODZDG-ZBFHGGJFSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)ccc1Cl ZINC000354463991 227000904 /nfs/dbraw/zinc/00/09/04/227000904.db2.gz JUHGNGIDIFOCIS-LLVKDONJSA-N 0 3 271.707 2.929 20 30 CFEDHN N#CC(C(=O)c1cccc2ncccc21)c1ccncn1 ZINC000354466867 227003310 /nfs/dbraw/zinc/00/33/10/227003310.db2.gz KIVXGCVUXAPDTA-CYBMUJFWSA-N 0 3 274.283 2.515 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000350631039 227045160 /nfs/dbraw/zinc/04/51/60/227045160.db2.gz GFGAIQHZGXFAAA-IPYPFGDCSA-N 0 3 256.349 2.626 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000336623521 227215280 /nfs/dbraw/zinc/21/52/80/227215280.db2.gz KSAFPZBNGSYYBK-SECBINFHSA-N 0 3 250.729 2.851 20 30 CFEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H](C)C2(CCC2)C1 ZINC000329155217 227331737 /nfs/dbraw/zinc/33/17/37/227331737.db2.gz VCPJTFJBLCAVAQ-VXGBXAGGSA-N 0 3 293.411 2.920 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000329989224 228008788 /nfs/dbraw/zinc/00/87/88/228008788.db2.gz VACRJMAPLVXEAN-OCCSQVGLSA-N 0 3 272.348 2.630 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000330204805 228065311 /nfs/dbraw/zinc/06/53/11/228065311.db2.gz BXZZHJXCHGTQSP-UJDVCPFMSA-N 0 3 280.412 2.679 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000330212786 228068015 /nfs/dbraw/zinc/06/80/15/228068015.db2.gz DWRYSOVCZXNCGH-GDBMZVCRSA-N 0 3 292.354 2.879 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3cc[nH]c3n2)C1 ZINC000353611915 228131225 /nfs/dbraw/zinc/13/12/25/228131225.db2.gz PNXOQLJATRZZTB-DGCLKSJQSA-N 0 3 254.337 2.735 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@@H](O)C12CCCC2 ZINC000330338708 228156177 /nfs/dbraw/zinc/15/61/77/228156177.db2.gz VSWNNZXYACLVTI-QLFBSQMISA-N 0 3 294.439 2.901 20 30 CFEDHN CC(C#N)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000335991412 228175456 /nfs/dbraw/zinc/17/54/56/228175456.db2.gz ZGOHFKFGDDSPES-GRTSSRMGSA-N 0 3 256.349 2.989 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC000333035214 228188134 /nfs/dbraw/zinc/18/81/34/228188134.db2.gz CZNMSQAZZYBLCH-DGCLKSJQSA-N 0 3 270.332 2.686 20 30 CFEDHN CCCCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001154831996 782030689 /nfs/dbraw/zinc/03/06/89/782030689.db2.gz PURAZBINWDTBON-NSHDSACASA-N 0 3 290.367 2.637 20 30 CFEDHN C=CCCCN1CCN(c2ncnc3sccc32)CC1 ZINC000117872272 260117314 /nfs/dbraw/zinc/11/73/14/260117314.db2.gz LKDLIMNWWRXAGF-UHFFFAOYSA-N 0 3 288.420 2.780 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000363357709 260129146 /nfs/dbraw/zinc/12/91/46/260129146.db2.gz VJPHBKCOVMTKKJ-QZTJIDSGSA-N 0 3 296.418 2.636 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000297775986 260134245 /nfs/dbraw/zinc/13/42/45/260134245.db2.gz PKFCBNIRMUQXKE-UKRRQHHQSA-N 0 3 274.412 2.519 20 30 CFEDHN CC(C)(C)OC(=O)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407990438 260153799 /nfs/dbraw/zinc/15/37/99/260153799.db2.gz OGOXJRWBEDZDKM-TZMCWYRMSA-N 0 3 278.396 2.732 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CCCCC1 ZINC000408023213 260173768 /nfs/dbraw/zinc/17/37/68/260173768.db2.gz YKEUYDLWLOMPCR-GJZGRUSLSA-N 0 3 291.439 2.697 20 30 CFEDHN N#CCCN(C(=O)CN[C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000516852471 260187732 /nfs/dbraw/zinc/18/77/32/260187732.db2.gz KNQKKOUCTOKFLF-PVAVHDDUSA-N 0 3 297.402 2.711 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000368018250 260263598 /nfs/dbraw/zinc/26/35/98/260263598.db2.gz JEYVMAATSABICL-SFHVURJKSA-N 0 3 296.414 2.645 20 30 CFEDHN Cn1cccc1[C@@H]1CCCN1CCCSCC#N ZINC000072513410 260276500 /nfs/dbraw/zinc/27/65/00/260276500.db2.gz QAARGSYOTHLMBT-AWEZNQCLSA-N 0 3 263.410 2.809 20 30 CFEDHN C=C(CC)CNCc1cc(OC)c2c(c1)OCCO2 ZINC000313488187 260298213 /nfs/dbraw/zinc/29/82/13/260298213.db2.gz PYCSIOSFEVLUCM-UHFFFAOYSA-N 0 3 263.337 2.522 20 30 CFEDHN CCOC[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000313490150 260298263 /nfs/dbraw/zinc/29/82/63/260298263.db2.gz XLOORJOSMCGVJV-MRXNPFEDSA-N 0 3 288.391 2.958 20 30 CFEDHN C[C@@H]1C[C@H](NCC2(C#N)CC2)CN(Cc2ccccc2)C1 ZINC000518053158 260339303 /nfs/dbraw/zinc/33/93/03/260339303.db2.gz SFJJYYVBOOSLQD-WBVHZDCISA-N 0 3 283.419 2.790 20 30 CFEDHN C=C(Br)CN[C@H]1CCCC[C@H]1n1cccn1 ZINC000129112538 260383377 /nfs/dbraw/zinc/38/33/77/260383377.db2.gz HVRDUVKPGZELGF-NWDGAFQWSA-N 0 3 284.201 2.865 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000358988231 260705743 /nfs/dbraw/zinc/70/57/43/260705743.db2.gz RQHAXGGUVIOQEN-CYBMUJFWSA-N 0 3 264.413 2.579 20 30 CFEDHN N#CCCOc1ccc(OCCN2CCCCC2)cc1 ZINC000154556737 261093038 /nfs/dbraw/zinc/09/30/38/261093038.db2.gz URXZFTLHUUHCQX-UHFFFAOYSA-N 0 3 274.364 2.844 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCC[C@@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000248876737 261208272 /nfs/dbraw/zinc/20/82/72/261208272.db2.gz RDPDTTAHNHNKLY-AIANPOQGSA-N 0 3 297.402 2.852 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000248901872 261217222 /nfs/dbraw/zinc/21/72/22/261217222.db2.gz VRSYGPOUJRIOBJ-IRXDYDNUSA-N 0 3 255.361 2.539 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)CCC)CC1 ZINC000106035140 261320479 /nfs/dbraw/zinc/32/04/79/261320479.db2.gz MLTDWFJSTKHMGD-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CCC)CC1 ZINC000106295291 261325052 /nfs/dbraw/zinc/32/50/52/261325052.db2.gz RYLMTHMSBDBOHI-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000164579942 261355127 /nfs/dbraw/zinc/35/51/27/261355127.db2.gz QRKIABPVILZNTD-JFALAVHASA-N 0 3 288.391 2.977 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NCCC(=O)N(C)CCC#N)c1 ZINC000182938346 261957077 /nfs/dbraw/zinc/95/70/77/261957077.db2.gz XYAFBAAZZPBINI-OAHLLOKOSA-N 0 3 287.407 2.716 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000185790290 262071552 /nfs/dbraw/zinc/07/15/52/262071552.db2.gz XJIZLIPPZRDZES-HZPDHXFCSA-N 0 3 297.402 2.985 20 30 CFEDHN CO[C@H](C)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000191143245 262189871 /nfs/dbraw/zinc/18/98/71/262189871.db2.gz FVFAUKIZPNSVSU-CQSZACIVSA-N 0 3 298.390 2.588 20 30 CFEDHN CN1C(=O)C[C@H](NCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000192151166 262198989 /nfs/dbraw/zinc/19/89/89/262198989.db2.gz SEZNZTDVPJKPMS-ZFWWWQNUSA-N 0 3 291.782 2.505 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000311293553 262224424 /nfs/dbraw/zinc/22/44/24/262224424.db2.gz JDGAQIATSFZNRW-LBPRGKRZSA-N 0 3 278.318 2.706 20 30 CFEDHN C[C@H](CCC#N)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000492694423 262230946 /nfs/dbraw/zinc/23/09/46/262230946.db2.gz BQOAHOJSYMNTSJ-GFCCVEGCSA-N 0 3 281.400 2.668 20 30 CFEDHN COc1ccccc1/C=N/OCCN1CCCCC1 ZINC000194369525 262236591 /nfs/dbraw/zinc/23/65/91/262236591.db2.gz OLVLQHNHMPEWCF-DTQAZKPQSA-N 0 3 262.353 2.532 20 30 CFEDHN C=CCCOCCNCc1c[nH]nc1-c1ccccc1 ZINC000120860607 262238063 /nfs/dbraw/zinc/23/80/63/262238063.db2.gz NQJJHWQGHWHTLQ-UHFFFAOYSA-N 0 3 271.364 2.759 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Br)cs1 ZINC000184264263 262275078 /nfs/dbraw/zinc/27/50/78/262275078.db2.gz AZOXWCHDGMFUBS-SECBINFHSA-N 0 3 276.199 2.537 20 30 CFEDHN CC[C@H](CC#N)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495687641 262286562 /nfs/dbraw/zinc/28/65/62/262286562.db2.gz LIUCFVLVUSJMDO-DGCLKSJQSA-N 0 3 281.400 2.524 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cnc2ccsc2c1 ZINC000186685298 262319837 /nfs/dbraw/zinc/31/98/37/262319837.db2.gz JVOJVHFDEYLAMM-ZYHUDNBSSA-N 0 3 262.378 2.884 20 30 CFEDHN C=CCN1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000373123893 262355856 /nfs/dbraw/zinc/35/58/56/262355856.db2.gz IVZMTOCQYKLDJU-UHFFFAOYSA-N 0 3 283.375 2.632 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H](Cc2ccncc2)C1 ZINC000365278437 262357618 /nfs/dbraw/zinc/35/76/18/262357618.db2.gz VYYLIOJCOVOQJC-LJQANCHMSA-N 0 3 276.383 2.998 20 30 CFEDHN CC1(C)CC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000525828798 262392098 /nfs/dbraw/zinc/39/20/98/262392098.db2.gz YOFJFRDIONATCG-INIZCTEOSA-N 0 3 295.386 2.793 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](Cc3ccccc3)[C@H]2C)C1=O ZINC000337196832 262431884 /nfs/dbraw/zinc/43/18/84/262431884.db2.gz WQBYXSFRSDWYSF-NJAFHUGGSA-N 0 3 298.430 2.726 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337423081 262450856 /nfs/dbraw/zinc/45/08/56/262450856.db2.gz BWPLSZXDOBLLOU-AWEZNQCLSA-N 0 3 260.381 2.714 20 30 CFEDHN CC(C#N)C(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000337584808 262461804 /nfs/dbraw/zinc/46/18/04/262461804.db2.gz QSVWLUBWBYFZFZ-BFVZDQMLSA-N 0 3 262.740 2.851 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H](c2ncc(C)s2)C1 ZINC000366180614 262565903 /nfs/dbraw/zinc/56/59/03/262565903.db2.gz WDGRMARKRFPIJY-KBPBESRZSA-N 0 3 280.437 2.958 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(SC)cc1 ZINC000411161157 262681238 /nfs/dbraw/zinc/68/12/38/262681238.db2.gz DQOGAJIJKCXGRD-AWEZNQCLSA-N 0 3 293.432 2.822 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)CS(=O)(=O)CC ZINC000414293485 262837662 /nfs/dbraw/zinc/83/76/62/262837662.db2.gz CTSNXSRYODMMJX-ZBFHGGJFSA-N 0 3 295.448 2.587 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1nccnc1OC ZINC000414543105 262988643 /nfs/dbraw/zinc/98/86/43/262988643.db2.gz YYLWKWQXBQKPGN-HNNXBMFYSA-N 0 3 283.375 2.762 20 30 CFEDHN Cc1ccccc1[C@H](N[C@H](C)C(=O)N(C)CCC#N)C1CC1 ZINC000271997798 263001219 /nfs/dbraw/zinc/00/12/19/263001219.db2.gz HKIAJOZVXIEGNU-RHSMWYFYSA-N 0 3 299.418 2.796 20 30 CFEDHN CC(C)(C#N)CCN(CCCO)Cc1ccccc1 ZINC000272032258 263001507 /nfs/dbraw/zinc/00/15/07/263001507.db2.gz PIKAXWWSRMZGER-UHFFFAOYSA-N 0 3 260.381 2.811 20 30 CFEDHN Cc1cccc([C@H]2CCN([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000273068075 263012155 /nfs/dbraw/zinc/01/21/55/263012155.db2.gz ITIJNLMYFQTQOX-WBVHZDCISA-N 0 3 299.418 2.545 20 30 CFEDHN C[S@](=O)C[C@@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000273391760 263016375 /nfs/dbraw/zinc/01/63/75/263016375.db2.gz NSHZQHASPHUNNT-KUHUBIRLSA-N 0 3 278.421 2.636 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC(C)=C[C@@H](C)C1 ZINC000430268226 263017902 /nfs/dbraw/zinc/01/79/02/263017902.db2.gz MGNRAXOKPGOGDR-UKRRQHHQSA-N 0 3 264.413 2.698 20 30 CFEDHN CN(C)c1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000274193028 263021841 /nfs/dbraw/zinc/02/18/41/263021841.db2.gz ILNHPBMJHMSLGE-HIFRSBDPSA-N 0 3 257.381 2.925 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274596643 263027147 /nfs/dbraw/zinc/02/71/47/263027147.db2.gz GRQYDRBEPLHGRS-GVXVVHGQSA-N 0 3 259.309 2.938 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cccc(OCC#N)c1 ZINC000274694268 263029162 /nfs/dbraw/zinc/02/91/62/263029162.db2.gz KYVCNISETZLCIJ-LBPRGKRZSA-N 0 3 289.379 2.694 20 30 CFEDHN CN(C)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000278160544 263045643 /nfs/dbraw/zinc/04/56/43/263045643.db2.gz AXHRHSAXVLDLAY-ZFWWWQNUSA-N 0 3 257.381 2.925 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000278673107 263049709 /nfs/dbraw/zinc/04/97/09/263049709.db2.gz JILUUIRMISVHFP-DGCLKSJQSA-N 0 3 289.335 2.775 20 30 CFEDHN CCN(CC(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279170518 263053398 /nfs/dbraw/zinc/05/33/98/263053398.db2.gz ACVNUHIZEGMBAC-INIZCTEOSA-N 0 3 283.375 2.745 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279317170 263054544 /nfs/dbraw/zinc/05/45/44/263054544.db2.gz FRBCKQIQPRQIEB-XYPHTWIQSA-N 0 3 295.386 2.935 20 30 CFEDHN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279317169 263054656 /nfs/dbraw/zinc/05/46/56/263054656.db2.gz FRBCKQIQPRQIEB-XOKHGSTOSA-N 0 3 295.386 2.935 20 30 CFEDHN C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279452368 263055672 /nfs/dbraw/zinc/05/56/72/263055672.db2.gz SUURNXGZYPXTKH-AWEZNQCLSA-N 0 3 295.390 2.701 20 30 CFEDHN CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279610130 263056326 /nfs/dbraw/zinc/05/63/26/263056326.db2.gz TUJHOULIPHAEPW-QGZVFWFLSA-N 0 3 295.386 2.889 20 30 CFEDHN CC(C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280230229 263059759 /nfs/dbraw/zinc/05/97/59/263059759.db2.gz WAWBIZMHFWLYIB-BBRMVZONSA-N 0 3 283.375 2.791 20 30 CFEDHN CSCCCN(C)Cc1ccc(OCC#N)cc1 ZINC000281422145 263068752 /nfs/dbraw/zinc/06/87/52/263068752.db2.gz OSINWHIJQSXUHO-UHFFFAOYSA-N 0 3 264.394 2.774 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000287659846 263102353 /nfs/dbraw/zinc/10/23/53/263102353.db2.gz VHTHFINJGGCXEU-MRXNPFEDSA-N 0 3 273.380 2.935 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000287659841 263102419 /nfs/dbraw/zinc/10/24/19/263102419.db2.gz VHTHFINJGGCXEU-INIZCTEOSA-N 0 3 273.380 2.935 20 30 CFEDHN CC1(C#N)CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287821714 263102823 /nfs/dbraw/zinc/10/28/23/263102823.db2.gz PREMTIYGMOKELO-OAHLLOKOSA-N 0 3 292.810 2.869 20 30 CFEDHN N#CCSCCCN1CCCc2occc2C1 ZINC000288674626 263105459 /nfs/dbraw/zinc/10/54/59/263105459.db2.gz CKYDWNZLAGNJML-UHFFFAOYSA-N 0 3 250.367 2.675 20 30 CFEDHN CN(CCn1cc(Br)cn1)CCC(C)(C)C#N ZINC000288991056 263107011 /nfs/dbraw/zinc/10/70/11/263107011.db2.gz ZYEZODVRXUJJDP-UHFFFAOYSA-N 0 3 299.216 2.517 20 30 CFEDHN CC(C)(CO)[C@H](NCCCC#N)c1cccs1 ZINC000289459824 263110315 /nfs/dbraw/zinc/11/03/15/263110315.db2.gz YEZMAINPJGJQMG-GFCCVEGCSA-N 0 3 252.383 2.701 20 30 CFEDHN Cc1cnn([C@H]2CCN(Cc3ccc(OCC#N)cc3)C2)c1 ZINC000289879048 263112458 /nfs/dbraw/zinc/11/24/58/263112458.db2.gz MFNYZJDCUGKPRH-INIZCTEOSA-N 0 3 296.374 2.541 20 30 CFEDHN CC1(C)C[C@]1(C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000291798928 263125471 /nfs/dbraw/zinc/12/54/71/263125471.db2.gz WYGPPGYGTVLHOX-GOSISDBHSA-N 0 3 297.402 2.704 20 30 CFEDHN N#CCCOCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000292689237 263133697 /nfs/dbraw/zinc/13/36/97/263133697.db2.gz CJWRUFUJGUYCNO-ZIAGYGMSSA-N 0 3 294.420 2.566 20 30 CFEDHN CN(CCOCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000292906128 263136387 /nfs/dbraw/zinc/13/63/87/263136387.db2.gz WMANKBUGJBSDJF-HZPDHXFCSA-N 0 3 258.365 2.827 20 30 CFEDHN N#CCCOCCN(Cc1ccco1)C1CCCC1 ZINC000293473018 263141552 /nfs/dbraw/zinc/14/15/52/263141552.db2.gz LWVGSXYAQSXUOU-UHFFFAOYSA-N 0 3 262.353 2.954 20 30 CFEDHN CN(C)c1ccccc1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293494169 263141800 /nfs/dbraw/zinc/14/18/00/263141800.db2.gz GUBMZKCNUYHARW-UKRRQHHQSA-N 0 3 257.381 2.877 20 30 CFEDHN CCCN(CCOCCC#N)Cc1ccc(F)cc1 ZINC000293587732 263143607 /nfs/dbraw/zinc/14/36/07/263143607.db2.gz UFCFMVCHBQAPMB-UHFFFAOYSA-N 0 3 264.344 2.968 20 30 CFEDHN COc1cccc([C@@H]2CCCN2CCOCCC#N)c1 ZINC000293638260 263145355 /nfs/dbraw/zinc/14/53/55/263145355.db2.gz XIPFBZLSHGLSOH-INIZCTEOSA-N 0 3 274.364 2.762 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@](CO)(Cc3ccccc3)C2)C1 ZINC000293700628 263147295 /nfs/dbraw/zinc/14/72/95/263147295.db2.gz XAJALWMAFJBOFJ-QRVBRYPASA-N 0 3 298.430 2.996 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000293763181 263149141 /nfs/dbraw/zinc/14/91/41/263149141.db2.gz RNNYEUCJOTXODM-DOTOQJQBSA-N 0 3 299.418 2.695 20 30 CFEDHN C=CCN(CCC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000293772344 263149166 /nfs/dbraw/zinc/14/91/66/263149166.db2.gz NPORJSRBBHKBRW-UHFFFAOYSA-N 0 3 297.402 2.824 20 30 CFEDHN Cc1cccc(NC2CCN(CCOCCC#N)CC2)c1 ZINC000293792135 263149487 /nfs/dbraw/zinc/14/94/87/263149487.db2.gz MPZLVJWOLRRYML-UHFFFAOYSA-N 0 3 287.407 2.802 20 30 CFEDHN C[C@H](NCCOCCC#N)c1cccc(OC(F)F)c1 ZINC000293809223 263149986 /nfs/dbraw/zinc/14/99/86/263149986.db2.gz OBCUXLQHJLFIKI-NSHDSACASA-N 0 3 284.306 2.869 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1ccccc1OC(F)F ZINC000293806937 263150312 /nfs/dbraw/zinc/15/03/12/263150312.db2.gz NVQRRJYEDYTSFK-LLVKDONJSA-N 0 3 284.306 2.869 20 30 CFEDHN Cc1nc2c(s1)[C@@H](N(C)CCOCCC#N)CCC2 ZINC000293902266 263152064 /nfs/dbraw/zinc/15/20/64/263152064.db2.gz WBOAFLSELZHQPB-ZDUSSCGKSA-N 0 3 279.409 2.691 20 30 CFEDHN Cc1cnccc1OC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000294182539 263157153 /nfs/dbraw/zinc/15/71/53/263157153.db2.gz QOAPHHGWUGBUCU-GJZGRUSLSA-N 0 3 285.391 2.926 20 30 CFEDHN CCCCCCCC(=O)Nc1ccnn1CCN(C)C ZINC000294252458 263158441 /nfs/dbraw/zinc/15/84/41/263158441.db2.gz YCHGGNVPOGETQX-UHFFFAOYSA-N 0 3 280.416 2.744 20 30 CFEDHN N#CCCOCCN1CCC(c2ccsc2)CC1 ZINC000294400203 263160924 /nfs/dbraw/zinc/16/09/24/263160924.db2.gz CKUIEMLTQMZJKB-UHFFFAOYSA-N 0 3 264.394 2.858 20 30 CFEDHN CCc1nn(C)c(Cl)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000295128643 263173061 /nfs/dbraw/zinc/17/30/61/263173061.db2.gz XSRBOVKWXQRINT-QWRGUYRKSA-N 0 3 280.803 2.808 20 30 CFEDHN N#CCOc1ccc(CN2CCC(CF)CC2)cc1 ZINC000295135234 263173159 /nfs/dbraw/zinc/17/31/59/263173159.db2.gz LMFIRUXPTXUSOC-UHFFFAOYSA-N 0 3 262.328 2.770 20 30 CFEDHN COc1c(C)cnc(CN(C)CCCCC#N)c1C ZINC000295178589 263173655 /nfs/dbraw/zinc/17/36/55/263173655.db2.gz PHWURWMWDZWNDM-UHFFFAOYSA-N 0 3 261.369 2.833 20 30 CFEDHN CCn1ccnc1[C@@H](C)NCC1CCC(C#N)CC1 ZINC000296356131 263190528 /nfs/dbraw/zinc/19/05/28/263190528.db2.gz HTHKTDXDGQHKET-IYXRBSQSSA-N 0 3 260.385 2.884 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@@H](O)C(F)F ZINC000296576465 263192807 /nfs/dbraw/zinc/19/28/07/263192807.db2.gz TZKOGIANQBTCAQ-LEWSCRJBSA-N 0 3 298.333 2.644 20 30 CFEDHN CC1(C#N)CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000298599593 263222423 /nfs/dbraw/zinc/22/24/23/263222423.db2.gz YZXBNPGLDBPURN-QGZVFWFLSA-N 0 3 283.419 2.887 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000298615274 263223023 /nfs/dbraw/zinc/22/30/23/263223023.db2.gz UFZMHJBVAAPXOU-HUUCEWRRSA-N 0 3 285.391 2.664 20 30 CFEDHN Cc1ccnc(OC2CCN([C@H](C)CCC#N)CC2)c1 ZINC000299176495 263233784 /nfs/dbraw/zinc/23/37/84/263233784.db2.gz YPOFTQDFZGNCQV-CQSZACIVSA-N 0 3 273.380 2.926 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000119838504 263279219 /nfs/dbraw/zinc/27/92/19/263279219.db2.gz DLOSHSDAYZSAOT-KGLIPLIRSA-N 0 3 294.439 2.511 20 30 CFEDHN C=CCCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000119937213 263279458 /nfs/dbraw/zinc/27/94/58/263279458.db2.gz BSTJIEIAMWEVLT-LBPRGKRZSA-N 0 3 276.409 2.689 20 30 CFEDHN C[C@H](C#N)CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093215896 263288966 /nfs/dbraw/zinc/28/89/66/263288966.db2.gz HXZRGQCCIUJSBN-AGIUHOORSA-N 0 3 281.400 2.572 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000121322776 263292191 /nfs/dbraw/zinc/29/21/91/263292191.db2.gz KEIZSFSHQAHXQD-UHFFFAOYSA-N 0 3 282.771 2.795 20 30 CFEDHN C=C(CC)CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340868162 263309977 /nfs/dbraw/zinc/30/99/77/263309977.db2.gz AAJOKLIHYSWQQL-CYBMUJFWSA-N 0 3 260.385 2.759 20 30 CFEDHN CC#CCN(C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000341071286 263317413 /nfs/dbraw/zinc/31/74/13/263317413.db2.gz YPDQBXUVAXQUDI-UHFFFAOYSA-N 0 3 284.403 2.766 20 30 CFEDHN C=CCCCCCN(C)Cc1ccnc(N(C)C)n1 ZINC000341128764 263323010 /nfs/dbraw/zinc/32/30/10/263323010.db2.gz FJZXEESVLNTVSR-UHFFFAOYSA-N 0 3 262.401 2.721 20 30 CFEDHN CC(C#N)C(=O)NC1CC(c2ccccc2Cl)C1 ZINC000341117842 263323290 /nfs/dbraw/zinc/32/32/90/263323290.db2.gz MCCQCUKCICPUFK-WHXUTIOJSA-N 0 3 262.740 2.862 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(F)cccc1N1CCCC1 ZINC000341325672 263331146 /nfs/dbraw/zinc/33/11/46/263331146.db2.gz VFGNIEDGIVKMFW-CQSZACIVSA-N 0 3 292.398 2.700 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc2ccc(Cl)cc2n1C ZINC000341302046 263332819 /nfs/dbraw/zinc/33/28/19/263332819.db2.gz MCXMFWUYLGEERP-LLVKDONJSA-N 0 3 293.798 2.501 20 30 CFEDHN 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CFEDHN COCC1(C#N)CCN(Cc2ccccc2C)CC1 ZINC000341993514 263383072 /nfs/dbraw/zinc/38/30/72/263383072.db2.gz QWVWUHFQUPGREO-UHFFFAOYSA-N 0 3 258.365 2.747 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](CC(C)C)C1 ZINC000342184099 263394923 /nfs/dbraw/zinc/39/49/23/263394923.db2.gz PTRHZUZLNPIPOS-OAHLLOKOSA-N 0 3 266.429 2.779 20 30 CFEDHN CC[C@@H](C)CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000171948110 335086311 /nfs/dbraw/zinc/08/63/11/335086311.db2.gz KEBMEFSQHNVSQI-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1cccc(CNC)c1 ZINC000415919401 263650637 /nfs/dbraw/zinc/65/06/37/263650637.db2.gz NBNVWOBZVRGCAR-UHFFFAOYSA-N 0 3 261.369 2.836 20 30 CFEDHN C[C@@H](NC(=O)C1CC=CC1)C(=O)NCCN1CCCCC1 ZINC000328789149 263872429 /nfs/dbraw/zinc/87/24/29/263872429.db2.gz PSGNPXQZDKNRTD-CYBMUJFWSA-N 0 3 293.411 2.740 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC000330675079 264014701 /nfs/dbraw/zinc/01/47/01/264014701.db2.gz RQCKGLZLQFLBCH-ZDUSSCGKSA-N 0 3 278.400 2.643 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)c1cncnc1C(C)C ZINC000330704605 264018758 /nfs/dbraw/zinc/01/87/58/264018758.db2.gz QYSISQZVJSGXCA-CYBMUJFWSA-N 0 3 290.411 2.779 20 30 CFEDHN CC(C)C[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330745968 264028342 /nfs/dbraw/zinc/02/83/42/264028342.db2.gz FKDMDTJNJATNQN-GDBMZVCRSA-N 0 3 279.428 2.551 20 30 CFEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000330906186 264073629 /nfs/dbraw/zinc/07/36/29/264073629.db2.gz DMMDIYFCIRRWBY-OAHLLOKOSA-N 0 3 281.359 2.642 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000330911597 264075721 /nfs/dbraw/zinc/07/57/21/264075721.db2.gz WELHRJUVBLRJLU-NWDGAFQWSA-N 0 3 291.351 2.691 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)c2cccc(C#N)c2)C1 ZINC000330948513 264085677 /nfs/dbraw/zinc/08/56/77/264085677.db2.gz BZLCJYCIEWJXGL-UHFFFAOYSA-N 0 3 285.391 2.985 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000331350859 264206736 /nfs/dbraw/zinc/20/67/36/264206736.db2.gz VWAQKEREGNIFSN-WMLDXEAASA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1CCCC1(C)C ZINC000424870924 264258468 /nfs/dbraw/zinc/25/84/68/264258468.db2.gz ZRFUBSAOIOQDMD-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CCCCN(CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343262679 264260630 /nfs/dbraw/zinc/26/06/30/264260630.db2.gz CYHGITPPRQHZAX-UKRRQHHQSA-N 0 3 267.417 2.551 20 30 CFEDHN C=CCCCN(C)Cc1cccc(C(=O)N(C)C)c1 ZINC000076734221 264342888 /nfs/dbraw/zinc/34/28/88/264342888.db2.gz HKIPNUWXGSVGKY-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000076810871 264344073 /nfs/dbraw/zinc/34/40/73/264344073.db2.gz JXUNJUTTZRQXTL-IPYPFGDCSA-N 0 3 290.382 2.694 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000076810875 264344172 /nfs/dbraw/zinc/34/41/72/264344172.db2.gz JXUNJUTTZRQXTL-YDHLFZDLSA-N 0 3 290.382 2.694 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccccc1 ZINC000076734139 264344192 /nfs/dbraw/zinc/34/41/92/264344192.db2.gz GJYHMLMTTVSOGA-CQSZACIVSA-N 0 3 260.381 2.762 20 30 CFEDHN C=C(C)CN(CC)CCOc1ccc(C#N)cc1OC ZINC000077247131 264349959 /nfs/dbraw/zinc/34/99/59/264349959.db2.gz LZPSNKJUWFKWDN-UHFFFAOYSA-N 0 3 274.364 2.844 20 30 CFEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000424957734 264390472 /nfs/dbraw/zinc/39/04/72/264390472.db2.gz XJKKPEVUNPDTGD-JQWIXIFHSA-N 0 3 284.281 2.826 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@H]2COCC[C@@H]21 ZINC000335744035 265197161 /nfs/dbraw/zinc/19/71/61/265197161.db2.gz CVMWITFKISAHIL-SJORKVTESA-N 0 3 255.361 2.539 20 30 CFEDHN C=CCN1CCC(NC(=O)N2Cc3ccccc3[C@@H]2C)CC1 ZINC000335828703 265219542 /nfs/dbraw/zinc/21/95/42/265219542.db2.gz BBMUNIHARCLNIR-AWEZNQCLSA-N 0 3 299.418 2.923 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000514654655 266029415 /nfs/dbraw/zinc/02/94/15/266029415.db2.gz DUCZHROTCRTDQL-QWHCGFSZSA-N 0 3 278.352 2.881 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000114274615 266069639 /nfs/dbraw/zinc/06/96/39/266069639.db2.gz 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/nfs/dbraw/zinc/33/10/54/266331054.db2.gz SFNYQYPYEPNBNP-UHFFFAOYSA-N 0 3 256.393 2.606 20 30 CFEDHN COc1ccc2cc(CNC(=O)C(C)C#N)ccc2c1 ZINC000357837654 266374408 /nfs/dbraw/zinc/37/44/08/266374408.db2.gz SZBYFUAEYJGHPZ-NSHDSACASA-N 0 3 268.316 2.624 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000357841838 266375250 /nfs/dbraw/zinc/37/52/50/266375250.db2.gz ZROHFASIRRUFGY-RYUDHWBXSA-N 0 3 255.321 2.627 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2CCCC2)CC1 ZINC000358156931 266430532 /nfs/dbraw/zinc/43/05/32/266430532.db2.gz NOTMGYUCDYENOS-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN CC#CCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000360142980 266686845 /nfs/dbraw/zinc/68/68/45/266686845.db2.gz YWXUXZRGSFHELK-LPHOPBHVSA-N 0 3 299.462 2.946 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362574850 267009360 /nfs/dbraw/zinc/00/93/60/267009360.db2.gz IATLNWGNHHDKRA-QWRGUYRKSA-N 0 3 289.404 2.638 20 30 CFEDHN C=C[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000362586156 267011977 /nfs/dbraw/zinc/01/19/77/267011977.db2.gz GHMWATZLOQYIFR-CQSZACIVSA-N 0 3 272.392 2.977 20 30 CFEDHN CN(C)CCN(CC1CCCCC1)C(=O)CCCC#N ZINC000362597269 267017019 /nfs/dbraw/zinc/01/70/19/267017019.db2.gz VSGGIYWGTPUSMT-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN CCC[C@]1(NCc2ccc(C#N)cc2[N+](=O)[O-])CCOC1 ZINC000514793281 267040791 /nfs/dbraw/zinc/04/07/91/267040791.db2.gz VOZDNFBOXMGCCA-HNNXBMFYSA-N 0 3 289.335 2.515 20 30 CFEDHN C=C(C)CN(CC)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000362959449 267066778 /nfs/dbraw/zinc/06/67/78/267066778.db2.gz ZLERBUCZWPVLIJ-UHFFFAOYSA-N 0 3 289.375 2.929 20 30 CFEDHN CCCCC[C@H]1CCCN1CC(=O)N(CC)CCC#N ZINC000362958115 267067049 /nfs/dbraw/zinc/06/70/49/267067049.db2.gz NPBJSIMRCVHYSG-HNNXBMFYSA-N 0 3 279.428 2.793 20 30 CFEDHN C=CCCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000367977984 267131773 /nfs/dbraw/zinc/13/17/73/267131773.db2.gz SOAFXFSGYAVDSG-HNNXBMFYSA-N 0 3 270.392 2.624 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000368010429 267133966 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/nfs/dbraw/zinc/20/95/47/267209547.db2.gz DPTSDHDAKMRZIU-MRXNPFEDSA-N 0 3 272.392 2.806 20 30 CFEDHN CCCn1nccc1C1CCN(CCCC#N)CC1 ZINC000369212195 267226539 /nfs/dbraw/zinc/22/65/39/267226539.db2.gz AUFGNMRHKCTZRQ-UHFFFAOYSA-N 0 3 260.385 2.776 20 30 CFEDHN C=CCCCN1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000369413690 267242145 /nfs/dbraw/zinc/24/21/45/267242145.db2.gz YTNIZXDJNDCPLE-UHFFFAOYSA-N 0 3 259.275 2.753 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2CCCCCC[C@H]21 ZINC000369462197 267243964 /nfs/dbraw/zinc/24/39/64/267243964.db2.gz JSNMSHFOAGBANZ-BZUAXINKSA-N 0 3 291.439 2.649 20 30 CFEDHN C=C(Br)CN1CCCN(CC(C)C)CC1 ZINC000369513432 267247471 /nfs/dbraw/zinc/24/74/71/267247471.db2.gz YLXVQHHXRYRAOM-UHFFFAOYSA-N 0 3 275.234 2.559 20 30 CFEDHN C=CCCCCCN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000369555249 267250362 /nfs/dbraw/zinc/25/03/62/267250362.db2.gz AKVHYGBUYWAGKX-LSDHHAIUSA-N 0 3 253.386 2.613 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000369684676 267260007 /nfs/dbraw/zinc/26/00/07/267260007.db2.gz WULIQEVMAXZEOQ-UKPHBRMFSA-N 0 3 286.375 2.588 20 30 CFEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000458190834 267276067 /nfs/dbraw/zinc/27/60/67/267276067.db2.gz RJLCJSNDNFRLRR-HNNXBMFYSA-N 0 3 295.386 2.888 20 30 CFEDHN C=CCN1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000370617270 267331454 /nfs/dbraw/zinc/33/14/54/267331454.db2.gz FHHAZAYWMFPVSY-INIZCTEOSA-N 0 3 280.412 2.895 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418139518 267362735 /nfs/dbraw/zinc/36/27/35/267362735.db2.gz GUSYIGPFEYEGTO-GOEBONIOSA-N 0 3 289.423 2.903 20 30 CFEDHN Cc1cc([C@@H]2CCCN(CCC(C)(C)C#N)C2)n[nH]1 ZINC000371206476 267370876 /nfs/dbraw/zinc/37/08/76/267370876.db2.gz GJUVLTAEZNYTKE-CYBMUJFWSA-N 0 3 260.385 2.837 20 30 CFEDHN Cc1cc([C@@H]2CCCN(CCC(C)(C)C#N)C2)[nH]n1 ZINC000371206476 267370878 /nfs/dbraw/zinc/37/08/78/267370878.db2.gz GJUVLTAEZNYTKE-CYBMUJFWSA-N 0 3 260.385 2.837 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000120172852 267388183 /nfs/dbraw/zinc/38/81/83/267388183.db2.gz VNJRUJWLLRJZKE-KRWDZBQOSA-N 0 3 284.403 2.677 20 30 CFEDHN Cc1nc([C@H]2CCCN(CC(C)(C)CCC#N)C2)no1 ZINC000371381730 267397846 /nfs/dbraw/zinc/39/78/46/267397846.db2.gz WADLXEOXSABKKV-ZDUSSCGKSA-N 0 3 276.384 2.887 20 30 CFEDHN N#CCCCN1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371658923 267446096 /nfs/dbraw/zinc/44/60/96/267446096.db2.gz FLSWZYKZHGLMAO-AWEZNQCLSA-N 0 3 254.337 2.587 20 30 CFEDHN CC#CCCN1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000375852789 267913057 /nfs/dbraw/zinc/91/30/57/267913057.db2.gz VIVJUIUQRXLJOC-UHFFFAOYSA-N 0 3 284.403 2.775 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2(F)CCC2)cc1 ZINC000359806304 268085862 /nfs/dbraw/zinc/08/58/62/268085862.db2.gz OIFHBWUEZYQBIF-HNNXBMFYSA-N 0 3 299.349 2.639 20 30 CFEDHN N#Cc1ccc(C2(NCc3cccnc3)CCOCC2)cc1 ZINC000527812586 268212020 /nfs/dbraw/zinc/21/20/20/268212020.db2.gz RWZHPWBHRVDOPI-UHFFFAOYSA-N 0 3 293.370 2.749 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN2C2CCCCC2)o1 ZINC000527752121 268233757 /nfs/dbraw/zinc/23/37/57/268233757.db2.gz MQWMYURALMLNJE-AWEZNQCLSA-N 0 3 273.380 2.648 20 30 CFEDHN C[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000030532720 270224544 /nfs/dbraw/zinc/22/45/44/270224544.db2.gz XZSACOCQUBRWBM-WMLDXEAASA-N 0 3 296.370 2.649 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456961802 273601193 /nfs/dbraw/zinc/60/11/93/273601193.db2.gz IJMPTSICGCYHKW-GFCCVEGCSA-N 0 3 273.380 2.972 20 30 CFEDHN C=CC[C@H]1N(C(=O)/C=C/CN(C)C)CCCC1(C)C ZINC000278170329 273487093 /nfs/dbraw/zinc/48/70/93/273487093.db2.gz QAUWEXYVXKXZBA-DNGMOHDESA-N 0 3 264.413 2.698 20 30 CFEDHN CCC[C@H](NCc1cc(C#N)n(C)c1)[C@@H](O)c1ccccc1 ZINC000279682989 273621336 /nfs/dbraw/zinc/62/13/36/273621336.db2.gz OYZGIVHOGNTRSQ-ROUUACIJSA-N 0 3 297.402 2.889 20 30 CFEDHN CS[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@@H]1N(C)C ZINC000340756565 274186654 /nfs/dbraw/zinc/18/66/54/274186654.db2.gz VUUPRRXRIWSFOJ-KBPBESRZSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H](C)N1C ZINC000293484263 274345747 /nfs/dbraw/zinc/34/57/47/274345747.db2.gz SCPDJDBMINKRTJ-OKILXGFUSA-N 0 3 276.811 2.716 20 30 CFEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)[C@H](C)CN1C ZINC000443515753 274362445 /nfs/dbraw/zinc/36/24/45/274362445.db2.gz DHHLQNUCZNRTMJ-GHMZBOCLSA-N 0 3 263.772 2.740 20 30 CFEDHN O[C@]1(C2CC2)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000366910705 275060026 /nfs/dbraw/zinc/06/00/26/275060026.db2.gz COZXKKRLTOZOSI-MRXNPFEDSA-N 0 3 275.779 2.538 20 30 CFEDHN C=CCCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000355592299 275423134 /nfs/dbraw/zinc/42/31/34/275423134.db2.gz AYJXMVUXSWSDQQ-GOEBONIOSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292479344 275424350 /nfs/dbraw/zinc/42/43/50/275424350.db2.gz SAKQDNRWFGPNJU-HUBLWGQQSA-N 0 3 281.421 2.667 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCSC1)C(C)C ZINC000354804654 275425658 /nfs/dbraw/zinc/42/56/58/275425658.db2.gz PQYSWHNQIKPENG-LSDHHAIUSA-N 0 3 296.480 2.554 20 30 CFEDHN CC(C)C(=O)NCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360648748 275559109 /nfs/dbraw/zinc/55/91/09/275559109.db2.gz SCXUYWJSPMOABH-KRWDZBQOSA-N 0 3 299.418 2.688 20 30 CFEDHN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@H]1O ZINC000334558458 276131809 /nfs/dbraw/zinc/13/18/09/276131809.db2.gz SNDYHIVFCPWVFY-CYBMUJFWSA-N 0 3 250.386 2.553 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343704012 276242104 /nfs/dbraw/zinc/24/21/04/276242104.db2.gz DHUWNBBYAYBPAV-LSDHHAIUSA-N 0 3 271.408 2.667 20 30 CFEDHN CN(C)[C@H](CNc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000265500674 276792906 /nfs/dbraw/zinc/79/29/06/276792906.db2.gz ICLVIZUREZVMCZ-OAHLLOKOSA-N 0 3 284.338 2.807 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000343538794 276884641 /nfs/dbraw/zinc/88/46/41/276884641.db2.gz VZTVLYPHWCMVAD-IHRRRGAJSA-N 0 3 252.402 2.720 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000343772706 276909474 /nfs/dbraw/zinc/90/94/74/276909474.db2.gz WYUMODQDIGQSIA-LSDHHAIUSA-N 0 3 266.429 2.968 20 30 CFEDHN CN1CCC[C@]2(CCN(c3nc(Cl)c(C#N)s3)C2)C1 ZINC000292657391 277087431 /nfs/dbraw/zinc/08/74/31/277087431.db2.gz CFJATCVOEJQENH-ZDUSSCGKSA-N 0 3 296.827 2.590 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](c1ccccc1)c1ccccn1 ZINC000352979392 277887817 /nfs/dbraw/zinc/88/78/17/277887817.db2.gz JGNVZPKZNPOVPW-MAUKXSAKSA-N 0 3 282.387 2.945 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000335755890 278132808 /nfs/dbraw/zinc/13/28/08/278132808.db2.gz KIEVCOLZJSAIFL-RKDXNWHRSA-N 0 3 264.275 2.570 20 30 CFEDHN CC(C)(C)C(C)(C)CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000431074850 278297211 /nfs/dbraw/zinc/29/72/11/278297211.db2.gz YUEXBXKIQQOCCW-AWEZNQCLSA-N 0 3 287.407 2.747 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287327880 278310047 /nfs/dbraw/zinc/31/00/47/278310047.db2.gz KIZAEPBKCGBHOE-PBHICJAKSA-N 0 3 297.402 2.564 20 30 CFEDHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000271409370 278355498 /nfs/dbraw/zinc/35/54/98/278355498.db2.gz YAVAJHJBJBQHNK-CJNGLKHVSA-N 0 3 286.375 2.895 20 30 CFEDHN C[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000347554378 278377884 /nfs/dbraw/zinc/37/78/84/278377884.db2.gz KBZMWRDZHBJVMP-WBMJQRKESA-N 0 3 285.391 2.643 20 30 CFEDHN CC[C@H](N[C@@H](CCO)CSC)c1ccc(C#N)cc1 ZINC000447542216 288063303 /nfs/dbraw/zinc/06/33/03/288063303.db2.gz IKFOMKAIUOKFHP-GJZGRUSLSA-N 0 3 278.421 2.713 20 30 CFEDHN CC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000278786392 288089635 /nfs/dbraw/zinc/08/96/35/288089635.db2.gz QDKGKBLNSQSMFA-HOTGVXAUSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1snc(Cl)c1C#N ZINC000286394761 279088875 /nfs/dbraw/zinc/08/88/75/279088875.db2.gz LEWFONCAHFVQGP-KOLCDFICSA-N 0 3 296.827 2.731 20 30 CFEDHN CCN(CCC1CC1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000355065197 279176612 /nfs/dbraw/zinc/17/66/12/279176612.db2.gz MPLTUNHSRDCNHQ-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(N2CCCC2=O)CC1 ZINC000187677057 279604001 /nfs/dbraw/zinc/60/40/01/279604001.db2.gz LNLFTEBWNWTXMS-CQSZACIVSA-N 0 3 297.402 2.706 20 30 CFEDHN Cc1nc(N[C@H](C)CN(C)Cc2ccccc2)ccc1C#N ZINC000336706490 280181871 /nfs/dbraw/zinc/18/18/71/280181871.db2.gz ITQFUDPCPMHLGJ-CQSZACIVSA-N 0 3 294.402 2.616 20 30 CFEDHN COC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249414258 281057604 /nfs/dbraw/zinc/05/76/04/281057604.db2.gz YVNABESSMRZLAC-UKRRQHHQSA-N 0 3 258.365 2.978 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000255048980 281085351 /nfs/dbraw/zinc/08/53/51/281085351.db2.gz KLKPYNTXRXVWCW-DOOKAGJSSA-N 0 3 297.402 2.562 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC(C(C)(C)C)CC1 ZINC000172032574 335090289 /nfs/dbraw/zinc/09/02/89/335090289.db2.gz WXFNJCPAEKGKNP-CYBMUJFWSA-N 0 3 279.428 2.505 20 30 CFEDHN C[C@H](NC(C)(C)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000545293522 281685178 /nfs/dbraw/zinc/68/51/78/281685178.db2.gz VISQTMIUVHTSME-LBPRGKRZSA-N 0 3 268.364 2.878 20 30 CFEDHN C[C@@H]1CCCN1C(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000551410723 281835707 /nfs/dbraw/zinc/83/57/07/281835707.db2.gz CISPNEPRVINSMM-CQSZACIVSA-N 0 3 297.402 2.538 20 30 CFEDHN CC1(C)CC[C@H]1N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000554406730 281892161 /nfs/dbraw/zinc/89/21/61/281892161.db2.gz ILBSTHWROIXMDZ-VXGBXAGGSA-N 0 3 289.404 2.503 20 30 CFEDHN C[C@H]1CCC[C@H](CN2CCN(c3cnccc3C#N)CC2)C1 ZINC000562362342 282077320 /nfs/dbraw/zinc/07/73/20/282077320.db2.gz OWSOILZOUPPDLH-HOTGVXAUSA-N 0 3 298.434 2.902 20 30 CFEDHN CC(C(=O)N1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000335648546 289305559 /nfs/dbraw/zinc/30/55/59/289305559.db2.gz ZJJKTKFEOHHOQU-MRVPVSSYSA-N 0 3 268.238 2.646 20 30 CFEDHN CCC[C@@H]1CCCC[C@H]1NCc1ncc(C#N)cn1 ZINC000563616702 290163755 /nfs/dbraw/zinc/16/37/55/290163755.db2.gz BTALOAGZBJXIGW-ZIAGYGMSSA-N 0 3 258.369 2.797 20 30 CFEDHN CN1CC[C@@H]2[C@H](CCCN2c2nccc(C#N)c2Cl)C1 ZINC000429216430 290182326 /nfs/dbraw/zinc/18/23/26/290182326.db2.gz PHWAZPQSJAKVQP-CHWSQXEVSA-N 0 3 290.798 2.527 20 30 CFEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000564354262 290206219 /nfs/dbraw/zinc/20/62/19/290206219.db2.gz CXYDZTYMYZZJFW-KRWDZBQOSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1cccc(C#N)c1 ZINC000564843759 290239033 /nfs/dbraw/zinc/23/90/33/290239033.db2.gz FRSNEKRNYVAACV-RDTXWAMCSA-N 0 3 280.371 2.812 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2c2c(F)cc(C#N)cc2F)C1 ZINC000277043049 290240243 /nfs/dbraw/zinc/24/02/43/290240243.db2.gz PLRFWAQWZUHJBE-WFASDCNBSA-N 0 3 291.345 2.757 20 30 CFEDHN C[C@@H]1CCCC[C@H]1N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000566243235 290361748 /nfs/dbraw/zinc/36/17/48/290361748.db2.gz SDFNZWGOWUNWPH-IUODEOHRSA-N 0 3 283.379 2.611 20 30 CFEDHN C[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301667 290368754 /nfs/dbraw/zinc/36/87/54/290368754.db2.gz OIWHCGSYUUSYQL-TXEJJXNPSA-N 0 3 273.336 2.944 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085456822 782056203 /nfs/dbraw/zinc/05/62/03/782056203.db2.gz UJIDSVICXZNJQS-MRXNPFEDSA-N 0 3 290.382 2.938 20 30 CFEDHN CS[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1N(C)C ZINC000340756558 295651123 /nfs/dbraw/zinc/65/11/23/295651123.db2.gz VSLAVIGVZLVWTM-UONOGXRCSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)[C@@H](C)O1 ZINC000295619642 297440240 /nfs/dbraw/zinc/44/02/40/297440240.db2.gz DVUVLUPLVHIRRW-JMSVASOKSA-N 0 3 256.349 2.703 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085467498 782066968 /nfs/dbraw/zinc/06/69/68/782066968.db2.gz USVQJFFNZWZMQY-OAHLLOKOSA-N 0 3 276.355 2.548 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085467330 782067394 /nfs/dbraw/zinc/06/73/94/782067394.db2.gz PULNIXWCDZEURA-MRXNPFEDSA-N 0 3 272.392 2.717 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001085476603 782072749 /nfs/dbraw/zinc/07/27/49/782072749.db2.gz DRENVCWLGDMBGH-AWEZNQCLSA-N 0 3 276.380 2.701 20 30 CFEDHN CN(C)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185764308 327844878 /nfs/dbraw/zinc/84/48/78/327844878.db2.gz PSOTXNVUQJPDNB-CABCVRRESA-N 0 3 257.381 2.925 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(Cl)cc1 ZINC000119371758 327906170 /nfs/dbraw/zinc/90/61/70/327906170.db2.gz PDQBTLSBIXOMHN-SMDDNHRTSA-N 0 3 278.783 2.519 20 30 CFEDHN C=CCCCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000117871613 327933584 /nfs/dbraw/zinc/93/35/84/327933584.db2.gz NWUHVNVWMRNNAL-UHFFFAOYSA-N 0 3 288.439 2.997 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](CC)c2cccs2)C1=O ZINC000337214376 327951710 /nfs/dbraw/zinc/95/17/10/327951710.db2.gz XJZOEVSXLZXEIL-NEPJUHHUSA-N 0 3 264.394 2.576 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC(C)(CC)CC1 ZINC000337691572 327957872 /nfs/dbraw/zinc/95/78/72/327957872.db2.gz OYIPVVJISCRCTC-UHFFFAOYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@H](C)N1CCC(C)CC1)OCC ZINC000339391050 328009378 /nfs/dbraw/zinc/00/93/78/328009378.db2.gz KTXOKQKQRCMMOP-HOTGVXAUSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C)(C)OC(=O)C[C@H]1CCCN(CCCC#N)C1 ZINC000531869541 328053116 /nfs/dbraw/zinc/05/31/16/328053116.db2.gz IVTHEKBWRZRQEF-CYBMUJFWSA-N 0 3 266.385 2.734 20 30 CFEDHN N#CC1(CCN2CC[C@H](n3cccn3)C2)CCCCC1 ZINC000411746506 328098602 /nfs/dbraw/zinc/09/86/02/328098602.db2.gz OMOSQOXLRGUIFI-HNNXBMFYSA-N 0 3 272.396 2.994 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)[C@@H](CC)N(C)C ZINC000413211387 328142613 /nfs/dbraw/zinc/14/26/13/328142613.db2.gz PYLSOHGVFKHDKG-OAHLLOKOSA-N 0 3 278.371 2.681 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC)C2CC(C)(C)C2)CC1 ZINC000413233469 328142955 /nfs/dbraw/zinc/14/29/55/328142955.db2.gz HMUFLDMPZXBUKF-UHFFFAOYSA-N 0 3 293.455 2.857 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)[C@@H](CC)N(C)C ZINC000413377703 328144572 /nfs/dbraw/zinc/14/45/72/328144572.db2.gz XSFVJRPJKJVIEC-CQSZACIVSA-N 0 3 267.417 2.505 20 30 CFEDHN [NH2+]=C(NCc1ccccc1[O-])NC1CCCCCC1 ZINC000271278916 328196007 /nfs/dbraw/zinc/19/60/07/328196007.db2.gz PUVQEYSGRPNMGO-UHFFFAOYSA-N 0 3 261.369 2.519 20 30 CFEDHN COc1ccccc1[C@H](C)NCCCSCC#N ZINC000271627011 328197121 /nfs/dbraw/zinc/19/71/21/328197121.db2.gz GALRBUCDFOOULS-LBPRGKRZSA-N 0 3 264.394 2.993 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274229886 328209904 /nfs/dbraw/zinc/20/99/04/328209904.db2.gz SCQZJXOBPWEJHW-ZENOOKHLSA-N 0 3 297.402 2.938 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCOc1ccc(F)cc1 ZINC000276363448 328218149 /nfs/dbraw/zinc/21/81/49/328218149.db2.gz ZFDLRGHDDNMQJC-LBPRGKRZSA-N 0 3 250.317 2.829 20 30 CFEDHN CN(CCOc1ccc(F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278604744 328228194 /nfs/dbraw/zinc/22/81/94/328228194.db2.gz MEJHWZDEYVOZIV-OCCSQVGLSA-N 0 3 262.328 2.829 20 30 CFEDHN N#C[C@H]1CCC[C@H](N[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000284702222 328246622 /nfs/dbraw/zinc/24/66/22/328246622.db2.gz SQZZPJLOEVKVGD-QCEMKRCNSA-N 0 3 271.364 2.584 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN(CCCSCC#N)C1 ZINC000184473903 329260400 /nfs/dbraw/zinc/26/04/00/329260400.db2.gz UTKJMFFUVZEWTA-AWEZNQCLSA-N 0 3 298.452 2.687 20 30 CFEDHN N#CCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000290990381 328261541 /nfs/dbraw/zinc/26/15/41/328261541.db2.gz ROLXLVBVTQJJDB-INIZCTEOSA-N 0 3 285.391 2.634 20 30 CFEDHN C[C@H](NCCCC#N)[C@@H]1OCCc2sccc21 ZINC000292311172 328269499 /nfs/dbraw/zinc/26/94/99/328269499.db2.gz DRUNSBNJBIHOPL-GWCFXTLKSA-N 0 3 250.367 2.644 20 30 CFEDHN N#CCCOCCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000292941394 328274139 /nfs/dbraw/zinc/27/41/39/328274139.db2.gz AZEODTUJNYPDQR-OAHLLOKOSA-N 0 3 262.328 2.893 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000541890313 328364380 /nfs/dbraw/zinc/36/43/80/328364380.db2.gz POUFUXMEPXOFAL-GDBMZVCRSA-N 0 3 275.392 2.844 20 30 CFEDHN CC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(C#N)cc1 ZINC000574876269 322709327 /nfs/dbraw/zinc/70/93/27/322709327.db2.gz ASBXUDVKPAISNX-HZPDHXFCSA-N 0 3 299.418 2.998 20 30 CFEDHN CC1CCC(O)(CN(CCC#N)CC2CC2)CC1 ZINC000305204894 328395096 /nfs/dbraw/zinc/39/50/96/328395096.db2.gz NVNWTWRIDUUEOA-UHFFFAOYSA-N 0 3 250.386 2.553 20 30 CFEDHN N#CCCCOc1cccc(CNCC2=CCCOC2)c1 ZINC000342300295 328418288 /nfs/dbraw/zinc/41/82/88/328418288.db2.gz SUPZZAKXGSVIAQ-UHFFFAOYSA-N 0 3 286.375 2.805 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)ccc1OC)[C@@H]1CCCO1 ZINC000182356187 323859229 /nfs/dbraw/zinc/85/92/29/323859229.db2.gz MMHGUIGVLVKTNW-ZBFHGGJFSA-N 0 3 274.364 2.614 20 30 CFEDHN CO[C@@H]([C@@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000388272470 324502024 /nfs/dbraw/zinc/50/20/24/324502024.db2.gz HCXXKIUKRUWWFO-BMIGLBTASA-N 0 3 262.328 2.600 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCCC[C@@H]1SCC ZINC000189501902 328483088 /nfs/dbraw/zinc/48/30/88/328483088.db2.gz QKECYFXMKXAESG-GJZGRUSLSA-N 0 3 296.480 2.841 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575991994 324563866 /nfs/dbraw/zinc/56/38/66/324563866.db2.gz LOKMRPWMCJLGTN-GHMZBOCLSA-N 0 3 259.309 2.839 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCc1cc(C#N)cs1 ZINC000577380412 324730761 /nfs/dbraw/zinc/73/07/61/324730761.db2.gz ZFHRWRQXURJTCN-GXFFZTMASA-N 0 3 252.383 2.506 20 30 CFEDHN CC[C@@H](CNc1ncc2c(c1C#N)CCC2)N1CCCC1 ZINC000579949775 324993876 /nfs/dbraw/zinc/99/38/76/324993876.db2.gz VRXWEQCTYYHIBS-AWEZNQCLSA-N 0 3 284.407 2.728 20 30 CFEDHN COc1ccccc1[C@@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000581139256 325094545 /nfs/dbraw/zinc/09/45/45/325094545.db2.gz ADQPMUQEECQJLU-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN N#Cc1c(NCCN2CCCCC2)cccc1-n1cccn1 ZINC000581894749 325158278 /nfs/dbraw/zinc/15/82/78/325158278.db2.gz FFTIREZQEHNJGE-UHFFFAOYSA-N 0 3 295.390 2.642 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)cc1 ZINC000583625783 325299953 /nfs/dbraw/zinc/29/99/53/325299953.db2.gz LTVAMQZOOCPENG-RDTXWAMCSA-N 0 3 280.371 2.812 20 30 CFEDHN CCOC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000583875842 325316415 /nfs/dbraw/zinc/31/64/15/325316415.db2.gz WCRRBFZYLNBXQM-CQSZACIVSA-N 0 3 291.351 2.617 20 30 CFEDHN CCN1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC1=O ZINC000584154875 325334252 /nfs/dbraw/zinc/33/42/52/325334252.db2.gz NQBCUJPXSKCFBP-RDJZCZTQSA-N 0 3 297.402 2.536 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@H](c2ccncc2)C1 ZINC000584270358 325342605 /nfs/dbraw/zinc/34/26/05/325342605.db2.gz SEZXUSUSBHDPQZ-KRWDZBQOSA-N 0 3 293.370 2.822 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N3CCNC(C)(C)C3)c2c1 ZINC000584282155 325342877 /nfs/dbraw/zinc/34/28/77/325342877.db2.gz MIWAACBMAZVMCY-UHFFFAOYSA-N 0 3 280.375 2.603 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](CC)c1cc(C)ccc1OC ZINC000186684218 326794752 /nfs/dbraw/zinc/79/47/52/326794752.db2.gz KQZVIZPLBWSYNA-HIFRSBDPSA-N 0 3 263.381 2.981 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2cc(F)ccc12 ZINC000558506734 327099785 /nfs/dbraw/zinc/09/97/85/327099785.db2.gz LMHMRFVPJDFSHT-LBPRGKRZSA-N 0 3 284.338 2.883 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC(C)(C)CC1 ZINC000127049207 327148961 /nfs/dbraw/zinc/14/89/61/327148961.db2.gz FIPURRMYSPKCEX-WMLDXEAASA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@]2(CCSC2)C1 ZINC000572598896 327172520 /nfs/dbraw/zinc/17/25/20/327172520.db2.gz CZHWKJDAEYFIGM-ZIAGYGMSSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1OC ZINC000569457093 327179707 /nfs/dbraw/zinc/17/97/07/327179707.db2.gz MSPBCWIYUMAZIV-GXTWGEPZSA-N 0 3 277.364 2.527 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CC)[C@@H](O)C(F)F)cc1 ZINC000449429166 327202936 /nfs/dbraw/zinc/20/29/36/327202936.db2.gz ZJPLYBZGFNZCOC-ZIAGYGMSSA-N 0 3 285.334 2.746 20 30 CFEDHN C[C@@H](C(=O)Nc1ccc(CC#N)cc1)N1[C@@H](C)CC[C@@H]1C ZINC000101635112 327221051 /nfs/dbraw/zinc/22/10/51/327221051.db2.gz DGSWMEVMJNRPNI-IHRRRGAJSA-N 0 3 285.391 2.952 20 30 CFEDHN C=CCC[C@H](O)CN1CCOC2(C1)CCCCCC2 ZINC000119680947 327246805 /nfs/dbraw/zinc/24/68/05/327246805.db2.gz HQGQOKHWWGJDLI-HNNXBMFYSA-N 0 3 267.413 2.739 20 30 CFEDHN CC#CCN(C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000555761582 327249773 /nfs/dbraw/zinc/24/97/73/327249773.db2.gz AJDBWGPYHRJELH-UHFFFAOYSA-N 0 3 293.794 2.999 20 30 CFEDHN CC(C)(C#N)CCN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000119727008 327261180 /nfs/dbraw/zinc/26/11/80/327261180.db2.gz MQHWDDWKNSMSRS-HNNXBMFYSA-N 0 3 280.412 2.586 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000560351867 327301981 /nfs/dbraw/zinc/30/19/81/327301981.db2.gz MPTZLLRBLIHOCU-LYRGGWFBSA-N 0 3 286.375 2.565 20 30 CFEDHN COc1ccc([C@@H](CCC#N)NCCCF)cc1 ZINC000562601389 327497822 /nfs/dbraw/zinc/49/78/22/327497822.db2.gz JKUJNZCKKHPTEL-CQSZACIVSA-N 0 3 250.317 2.989 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000399082699 328661859 /nfs/dbraw/zinc/66/18/59/328661859.db2.gz QFQORVNQUDDGQF-OAHLLOKOSA-N 0 3 271.408 2.669 20 30 CFEDHN C=CCc1cc(CN[C@]2(C)CCCOC2)cc(OC)c1O ZINC000357338796 328869521 /nfs/dbraw/zinc/86/95/21/328869521.db2.gz APWRKUJGRRMMMW-QGZVFWFLSA-N 0 3 291.391 2.788 20 30 CFEDHN C#Cc1ccc(CN2CCC(CN3CCCC3=O)CC2)cc1 ZINC000377617854 329020667 /nfs/dbraw/zinc/02/06/67/329020667.db2.gz BQEWCEWNDSOURZ-UHFFFAOYSA-N 0 3 296.414 2.502 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000377649361 329023128 /nfs/dbraw/zinc/02/31/28/329023128.db2.gz MHPBPOUYORJFFJ-GOSISDBHSA-N 0 3 278.355 2.716 20 30 CFEDHN C#CCCCCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000378399801 329048830 /nfs/dbraw/zinc/04/88/30/329048830.db2.gz VKJVEXCSGGTYOG-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1c2ccccc2CC[C@H]1N(C)C ZINC000378399259 329048924 /nfs/dbraw/zinc/04/89/24/329048924.db2.gz RDCFAUFOXFWANN-IEBWSBKVSA-N 0 3 298.430 2.914 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](C)CC)CC1 ZINC000171557001 329077540 /nfs/dbraw/zinc/07/75/40/329077540.db2.gz ZEJWTPVYMGONIF-UONOGXRCSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](SCC)C(C)C)CC1 ZINC000171715338 329078771 /nfs/dbraw/zinc/07/87/71/329078771.db2.gz DLJXSKKMRVBZMA-AWEZNQCLSA-N 0 3 284.469 2.531 20 30 CFEDHN CCCC[C@H](NCCCCC#N)C(=O)Nc1cc(C)on1 ZINC000171982640 329082906 /nfs/dbraw/zinc/08/29/06/329082906.db2.gz ZAOCSLQDXYHVLM-ZDUSSCGKSA-N 0 3 292.383 2.764 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cnc(C)n1C)C(C)C ZINC000584362286 329103326 /nfs/dbraw/zinc/10/33/26/329103326.db2.gz TVFDLWUMLKKVCU-KRWDZBQOSA-N 0 3 290.455 2.517 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2C[C@H](C)C[C@H](C)C2)CC1 ZINC000172390355 329135126 /nfs/dbraw/zinc/13/51/26/329135126.db2.gz ARPMGNVZZIENRE-MZBDJJRSSA-N 0 3 293.455 2.761 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174470862 329159086 /nfs/dbraw/zinc/15/90/86/329159086.db2.gz GCUGPGABDZBTKH-HUUCEWRRSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000175257610 329167089 /nfs/dbraw/zinc/16/70/89/329167089.db2.gz DFPCITODXDTEAK-UHFFFAOYSA-N 0 3 286.419 2.907 20 30 CFEDHN C=CCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000177839279 329193202 /nfs/dbraw/zinc/19/32/02/329193202.db2.gz KGTSFBLVKIDBSJ-HNNXBMFYSA-N 0 3 272.392 2.862 20 30 CFEDHN C=CCN1CCC(NC(=O)NC(C)(CC)CC)CC1 ZINC000177877387 329193632 /nfs/dbraw/zinc/19/36/32/329193632.db2.gz WGBVQLFAJABRAT-UHFFFAOYSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](CSC)C1 ZINC000429279259 329205469 /nfs/dbraw/zinc/20/54/69/329205469.db2.gz ZXYQJPYIEKPPGF-LSDHHAIUSA-N 0 3 298.496 2.875 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000182189756 329240558 /nfs/dbraw/zinc/24/05/58/329240558.db2.gz IREHAHYWDNMSHI-HNNXBMFYSA-N 0 3 275.396 2.507 20 30 CFEDHN C=CCC[C@@H](NCc1nnc2ccccn21)C1CC1 ZINC000183823110 329252756 /nfs/dbraw/zinc/25/27/56/329252756.db2.gz IRUFBLFAGIBWEF-CYBMUJFWSA-N 0 3 256.353 2.564 20 30 CFEDHN C=CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508874782 332851819 /nfs/dbraw/zinc/85/18/19/332851819.db2.gz BGKSRXAWBIDKDR-GOEBONIOSA-N 0 3 289.423 2.814 20 30 CFEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647627 329328215 /nfs/dbraw/zinc/32/82/15/329328215.db2.gz QKLFWOJYIJNPSF-HUUCEWRRSA-N 0 3 291.439 2.792 20 30 CFEDHN CC#CCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000185741001 329331070 /nfs/dbraw/zinc/33/10/70/329331070.db2.gz CRRJFPLIXHVZRJ-INIZCTEOSA-N 0 3 284.403 2.700 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000186240258 329340064 /nfs/dbraw/zinc/34/00/64/329340064.db2.gz BRVCYROFMPYCMQ-DOTOQJQBSA-N 0 3 278.440 2.825 20 30 CFEDHN CC(C)(C)OC(=O)N1CCCN(CCCCC#N)CC1 ZINC000102397691 329362254 /nfs/dbraw/zinc/36/22/54/329362254.db2.gz CZXINQKTQPOMTP-UHFFFAOYSA-N 0 3 281.400 2.623 20 30 CFEDHN COc1ccc2c(c1)C[C@H](NCC(C)(C)C#N)CC2 ZINC000126727085 329594060 /nfs/dbraw/zinc/59/40/60/329594060.db2.gz RMHFLEDNLWKCHZ-CQSZACIVSA-N 0 3 258.365 2.692 20 30 CFEDHN C=CCN(CC=C)CCOCC(F)(F)C(F)(F)F ZINC000188725558 329609798 /nfs/dbraw/zinc/60/97/98/329609798.db2.gz IIEHKFFTMARZKH-UHFFFAOYSA-N 0 3 273.245 2.875 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000248855715 329900787 /nfs/dbraw/zinc/90/07/87/329900787.db2.gz PGMPVDDVYDVMAQ-MGPQQGTHSA-N 0 3 261.369 2.554 20 30 CFEDHN N=C(NCCSC(F)(F)F)Nc1cc(F)ccc1F ZINC000262284828 330004318 /nfs/dbraw/zinc/00/43/18/330004318.db2.gz MAQOKUBCYIZVFN-UHFFFAOYSA-N 0 3 299.268 2.944 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2[C@H](C)CCC[C@H]2C)CC1 ZINC000081493736 330212084 /nfs/dbraw/zinc/21/20/84/330212084.db2.gz CHNBCVCORQLYLQ-ZIAGYGMSSA-N 0 3 293.455 2.761 20 30 CFEDHN CC(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424068636 330219503 /nfs/dbraw/zinc/21/95/03/330219503.db2.gz SDVWKVZXVKLGKN-JKSUJKDBSA-N 0 3 287.407 2.911 20 30 CFEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)cccc1C(F)(F)F ZINC000424079978 330221706 /nfs/dbraw/zinc/22/17/06/330221706.db2.gz HDRWCHOTQVSKQS-NSHDSACASA-N 0 3 299.296 2.974 20 30 CFEDHN Cc1cc([C@H](C)NC(=O)[C@H](N)CCCC#N)c(C)s1 ZINC000424097306 330227668 /nfs/dbraw/zinc/22/76/68/330227668.db2.gz JNNCHEASFNSYKS-GXFFZTMASA-N 0 3 279.409 2.563 20 30 CFEDHN C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H](N)CCCC#N ZINC000424104261 330233774 /nfs/dbraw/zinc/23/37/74/330233774.db2.gz UEMYABLVPFTOIC-SMDDNHRTSA-N 0 3 293.798 2.881 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000424104132 330233961 /nfs/dbraw/zinc/23/39/61/330233961.db2.gz GIYOFWXFVVTIAP-QGZVFWFLSA-N 0 3 299.418 2.836 20 30 CFEDHN CCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424111189 330239568 /nfs/dbraw/zinc/23/95/68/330239568.db2.gz GALKVBSLSJBSKR-HZPDHXFCSA-N 0 3 287.407 2.535 20 30 CFEDHN CCC[C@H](NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424115756 330243549 /nfs/dbraw/zinc/24/35/49/330243549.db2.gz VUCUHNQPOMLBPG-CABCVRRESA-N 0 3 279.428 2.873 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000424117466 330243872 /nfs/dbraw/zinc/24/38/72/330243872.db2.gz YXEWIXHXVFZWQA-DLBZAZTESA-N 0 3 299.418 2.631 20 30 CFEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1OC(C)C ZINC000424120047 330247857 /nfs/dbraw/zinc/24/78/57/330247857.db2.gz GMENHECKBACHDN-CQSZACIVSA-N 0 3 289.379 2.742 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000527692144 330279263 /nfs/dbraw/zinc/27/92/63/330279263.db2.gz QHFGSSQEYMLTEO-LBPRGKRZSA-N 0 3 289.297 2.741 20 30 CFEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1c(F)cccc1Cl ZINC000424149572 330295858 /nfs/dbraw/zinc/29/58/58/330295858.db2.gz HGTXMVOPWJHYCR-BXKDBHETSA-N 0 3 297.761 2.677 20 30 CFEDHN C=CCn1cc(CNC[C@H]2CCC[C@H](CC)C2)nn1 ZINC000424175256 330315365 /nfs/dbraw/zinc/31/53/65/330315365.db2.gz UAFRIJPGOPFESB-KBPBESRZSA-N 0 3 262.401 2.770 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccccn3)s2)C1 ZINC000424187287 330320939 /nfs/dbraw/zinc/32/09/39/330320939.db2.gz AQRHHUXEEJFDIH-NEPJUHHUSA-N 0 3 284.388 2.987 20 30 CFEDHN CC(C)N(C)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424192095 330323917 /nfs/dbraw/zinc/32/39/17/330323917.db2.gz IMGPFGXMLOVFKK-DZGCQCFKSA-N 0 3 272.396 2.708 20 30 CFEDHN COc1ccccc1-n1nccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424193063 330324202 /nfs/dbraw/zinc/32/42/02/330324202.db2.gz JPAKRMCGQWXSGA-UONOGXRCSA-N 0 3 296.374 2.663 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2c[nH]c(-c3ccccc3)n2)C1 ZINC000424194747 330324468 /nfs/dbraw/zinc/32/44/68/330324468.db2.gz LVJGUGNJLZBGLB-OCCSQVGLSA-N 0 3 266.348 2.859 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccccc3)[nH]2)C1 ZINC000424194747 330324469 /nfs/dbraw/zinc/32/44/69/330324469.db2.gz LVJGUGNJLZBGLB-OCCSQVGLSA-N 0 3 266.348 2.859 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CC[C@H]2O)cc1Cl ZINC000424199922 330326625 /nfs/dbraw/zinc/32/66/25/330326625.db2.gz LJTPUSPMUCDEAD-CHWSQXEVSA-N 0 3 267.756 2.518 20 30 CFEDHN CC(C)(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@@H](N)c1ccccc1 ZINC000424213578 330328792 /nfs/dbraw/zinc/32/87/92/330328792.db2.gz AESPYPMTIJYMLS-CFVMTHIKSA-N 0 3 285.391 2.521 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)CCC)CC1 ZINC000106267607 330334494 /nfs/dbraw/zinc/33/44/94/330334494.db2.gz GYRNLSUHQLWLJF-CQSZACIVSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@H](C)C[C@H]2CC)nn1 ZINC000424290935 330334781 /nfs/dbraw/zinc/33/47/81/330334781.db2.gz CQWLHMITGQOOLN-GZBFAFLISA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@@H]2C[C@H]2c2ccccc2)nn1 ZINC000424293103 330335246 /nfs/dbraw/zinc/33/52/46/330335246.db2.gz HZVHSZCHIHHREG-COXVUDFISA-N 0 3 282.391 2.746 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)[C@@H](C)c2ccccc2)nn1 ZINC000424296380 330336047 /nfs/dbraw/zinc/33/60/47/330336047.db2.gz OGUVFDWMSIABNE-KGLIPLIRSA-N 0 3 270.380 2.746 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCC2CCCC2)nn1 ZINC000424300981 330337887 /nfs/dbraw/zinc/33/78/87/330337887.db2.gz YYACMWXLJGRSCB-CYBMUJFWSA-N 0 3 262.401 2.913 20 30 CFEDHN Cc1cc2ncc([C@@H](C)N[C@@H]3CC[C@H](C#N)C3)c(C)n2n1 ZINC000424318653 330339853 /nfs/dbraw/zinc/33/98/53/330339853.db2.gz DDXRVZPXPZBSJL-KWCYVHTRSA-N 0 3 283.379 2.689 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccccc2CCC)CC1 ZINC000057169678 330372043 /nfs/dbraw/zinc/37/20/43/330372043.db2.gz KRNQYCCBNUPSMY-UHFFFAOYSA-N 0 3 284.403 2.923 20 30 CFEDHN C=CCNC(=O)CNC/C(C)=C/c1ccc(Cl)cc1 ZINC000537434977 330436802 /nfs/dbraw/zinc/43/68/02/330436802.db2.gz RDBYXQXLVZBIFC-FMIVXFBMSA-N 0 3 278.783 2.635 20 30 CFEDHN C=CCSCCNCc1cc(F)cc(OC)c1 ZINC000312375609 330462970 /nfs/dbraw/zinc/46/29/70/330462970.db2.gz KGLQAYKKGHECEP-UHFFFAOYSA-N 0 3 255.358 2.843 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000435737168 330661329 /nfs/dbraw/zinc/66/13/29/330661329.db2.gz FKFGMEHXBANUKA-YJBOKZPZSA-N 0 3 297.402 2.943 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000435737165 330661444 /nfs/dbraw/zinc/66/14/44/330661444.db2.gz FKFGMEHXBANUKA-CRAIPNDOSA-N 0 3 297.402 2.943 20 30 CFEDHN C=CCCOCCNCc1cc2c(cccc2F)[nH]1 ZINC000436422389 330677332 /nfs/dbraw/zinc/67/73/32/330677332.db2.gz ZBNTZEJWIAVAJV-UHFFFAOYSA-N 0 3 262.328 2.989 20 30 CFEDHN CC(C)C1CCC(N2CCN(CCC#N)CC2)CC1 ZINC000440325155 330747365 /nfs/dbraw/zinc/74/73/65/330747365.db2.gz KDSMZTFLJQKJLF-UHFFFAOYSA-N 0 3 263.429 2.732 20 30 CFEDHN COC(=O)CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442864459 330788246 /nfs/dbraw/zinc/78/82/46/330788246.db2.gz ZQEHFYXYNNMGFK-IMJJTQAJSA-N 0 3 286.375 2.963 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H](CC(F)(F)F)C(C)C ZINC000445902243 330841495 /nfs/dbraw/zinc/84/14/95/330841495.db2.gz CWJBZLKJJMRNAJ-GFCCVEGCSA-N 0 3 294.361 2.978 20 30 CFEDHN COc1ccncc1CNC1CCC(C)(C#N)CC1 ZINC000449340850 330916358 /nfs/dbraw/zinc/91/63/58/330916358.db2.gz QLDFRABGJBRSAC-UHFFFAOYSA-N 0 3 259.353 2.652 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)cc(OC)c1 ZINC000449548646 330935594 /nfs/dbraw/zinc/93/55/94/330935594.db2.gz PGAJGVSZWSNULE-CVEARBPZSA-N 0 3 277.364 2.527 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc2cccnc2o1 ZINC000449548521 330935667 /nfs/dbraw/zinc/93/56/67/330935667.db2.gz OCUUFYLGDAUHEW-KGLIPLIRSA-N 0 3 258.321 2.651 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)CC(=O)NC)cc1Cl ZINC000449600826 330938928 /nfs/dbraw/zinc/93/89/28/330938928.db2.gz LATIMPIBNGWSFL-NSHDSACASA-N 0 3 296.798 2.519 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(CC(C)C)s1 ZINC000449698868 330944631 /nfs/dbraw/zinc/94/46/31/330944631.db2.gz PNDBNYXZLGEAPZ-GFCCVEGCSA-N 0 3 268.426 2.758 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1Nc1ccnc2ccc(C)cc21 ZINC000450763849 330998812 /nfs/dbraw/zinc/99/88/12/330998812.db2.gz WLHVVQOEXRBRPR-CVEARBPZSA-N 0 3 254.333 2.721 20 30 CFEDHN COCCN(CC1(C#N)CCC1)[C@@H]1CCC[C@H]1C ZINC000450846827 331002513 /nfs/dbraw/zinc/00/25/13/331002513.db2.gz PKGYCIQHOGGSAL-ZIAGYGMSSA-N 0 3 250.386 2.817 20 30 CFEDHN C[C@@]12CN(C[C@@H](C#N)CCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369068 331026026 /nfs/dbraw/zinc/02/60/26/331026026.db2.gz NDIUFPLFFMXBRV-OWYFMNJBSA-N 0 3 255.365 2.574 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](OCC)[C@H](C)C1 ZINC000451522795 331032498 /nfs/dbraw/zinc/03/24/98/331032498.db2.gz ICQMLMGDTANFEB-OWCLPIDISA-N 0 3 296.455 2.546 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1OC(F)F ZINC000451598632 331035702 /nfs/dbraw/zinc/03/57/02/331035702.db2.gz LFWGDEGORAWCSE-NEPJUHHUSA-N 0 3 269.291 2.721 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000451604489 331036207 /nfs/dbraw/zinc/03/62/07/331036207.db2.gz HCVDUFNSIHIPRB-HONMWMINSA-N 0 3 294.782 2.600 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000451608907 331036662 /nfs/dbraw/zinc/03/66/62/331036662.db2.gz USFDGMLYSNTQOZ-IMJJTQAJSA-N 0 3 288.391 2.564 20 30 CFEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000451701484 331039522 /nfs/dbraw/zinc/03/95/22/331039522.db2.gz QNOMXSQOHVOXMA-JFIYKMOQSA-N 0 3 287.378 2.660 20 30 CFEDHN C=CCCC[C@@H](C)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451740071 331040675 /nfs/dbraw/zinc/04/06/75/331040675.db2.gz KKKYTFRQJAZCJS-HUUCEWRRSA-N 0 3 285.453 2.632 20 30 CFEDHN CCn1cc([C@H](C)NCc2ccc(CC#N)cc2)cn1 ZINC000451891235 331046354 /nfs/dbraw/zinc/04/63/54/331046354.db2.gz SGZQKXCQYMLYLQ-ZDUSSCGKSA-N 0 3 268.364 2.820 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2ccc(OC)cn2)CC1 ZINC000452058978 331052390 /nfs/dbraw/zinc/05/23/90/331052390.db2.gz NZRYWHMMYUJSMS-HNNXBMFYSA-N 0 3 289.423 2.957 20 30 CFEDHN Cc1cccc([C@H](C)NCC(=O)NC2(C#N)CCCCC2)c1 ZINC000452070077 331052818 /nfs/dbraw/zinc/05/28/18/331052818.db2.gz FVOOFQPAPJYHLG-HNNXBMFYSA-N 0 3 299.418 2.988 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](CC(C)(C)C)C2)C1=O ZINC000452084224 331053496 /nfs/dbraw/zinc/05/34/96/331053496.db2.gz UQTJUDKEGOVPBI-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cccc(C)c1 ZINC000452087787 331053748 /nfs/dbraw/zinc/05/37/48/331053748.db2.gz OHJHNJGZPPODFB-HUUCEWRRSA-N 0 3 287.407 2.654 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(F)F ZINC000452882111 331079981 /nfs/dbraw/zinc/07/99/81/331079981.db2.gz XXYJGZZRGPVYHW-YPMHNXCESA-N 0 3 280.318 2.919 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]1C1CC1 ZINC000452996764 331083129 /nfs/dbraw/zinc/08/31/29/331083129.db2.gz UHQMBGMRCIDOQC-CVEARBPZSA-N 0 3 268.360 2.770 20 30 CFEDHN C=CCC[C@H](NCC[C@@](C)(O)COC)c1ccco1 ZINC000453260206 331108550 /nfs/dbraw/zinc/10/85/50/331108550.db2.gz QWIYEUCMMBQHSS-DZGCQCFKSA-N 0 3 267.369 2.664 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(F)cn1 ZINC000453334413 331118203 /nfs/dbraw/zinc/11/82/03/331118203.db2.gz DUZFUOVGYGGBQL-HONMWMINSA-N 0 3 250.317 2.605 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)[C@@H](OC)c1ccccc1 ZINC000453338007 331118800 /nfs/dbraw/zinc/11/88/00/331118800.db2.gz ARXJNSZXHPYWMQ-DMRZNYOFSA-N 0 3 261.365 2.696 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000453346095 331120088 /nfs/dbraw/zinc/12/00/88/331120088.db2.gz GQMMCZJABCCEGB-BIMULSAOSA-N 0 3 282.771 2.738 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453376569 331124928 /nfs/dbraw/zinc/12/49/28/331124928.db2.gz XPXSPTXMKXHPNV-GLQYFDAESA-N 0 3 277.412 2.941 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000454257683 331143029 /nfs/dbraw/zinc/14/30/29/331143029.db2.gz LMKACUMFMJFBIU-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC(C)(C)C2CC2)CC1 ZINC000454541971 331148474 /nfs/dbraw/zinc/14/84/74/331148474.db2.gz KWYMJRNKDMJALY-UHFFFAOYSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000454549822 331148640 /nfs/dbraw/zinc/14/86/40/331148640.db2.gz QNSOAIZZZFTMLL-NVXWUHKLSA-N 0 3 293.455 2.761 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000454733642 331152609 /nfs/dbraw/zinc/15/26/09/331152609.db2.gz WPAXDTKZOSLNRA-HZPDHXFCSA-N 0 3 287.407 2.697 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000455911726 331180688 /nfs/dbraw/zinc/18/06/88/331180688.db2.gz WLUPSBQPGVCDPM-UHFFFAOYSA-N 0 3 288.395 2.557 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000456060422 331183646 /nfs/dbraw/zinc/18/36/46/331183646.db2.gz SEDZEVVGUBGZRO-BBWFWOEESA-N 0 3 295.386 2.958 20 30 CFEDHN C=CC(C)(C)CNC(=O)c1ccccc1CN(C)C ZINC000456114767 331184435 /nfs/dbraw/zinc/18/44/35/331184435.db2.gz JLASGUORIGYAQO-UHFFFAOYSA-N 0 3 260.381 2.690 20 30 CFEDHN Cc1ccncc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456155771 331185855 /nfs/dbraw/zinc/18/58/55/331185855.db2.gz DXDYTEHSNWKZJD-INIZCTEOSA-N 0 3 293.370 2.779 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC000457534486 331226153 /nfs/dbraw/zinc/22/61/53/331226153.db2.gz BZOMZOSAWHVMPI-UHFFFAOYSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(CC)CNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000459073438 331269296 /nfs/dbraw/zinc/26/92/96/331269296.db2.gz JJYWXMKLXGZSDX-HNNXBMFYSA-N 0 3 279.428 2.613 20 30 CFEDHN CCN(CCCN[C@H]1CCC[C@H]1C#N)CC(F)(F)F ZINC000459488564 331284553 /nfs/dbraw/zinc/28/45/53/331284553.db2.gz WXZMNLKBKWCWEP-RYUDHWBXSA-N 0 3 277.334 2.543 20 30 CFEDHN C=CCOCCN1CCC2(CC1)OCCc1ccccc12 ZINC000459500507 331285007 /nfs/dbraw/zinc/28/50/07/331285007.db2.gz YKOKGYXZKZAKMF-UHFFFAOYSA-N 0 3 287.403 2.753 20 30 CFEDHN CON1CCC(N(C)CC#Cc2ccccc2Cl)CC1 ZINC000459582147 331289350 /nfs/dbraw/zinc/28/93/50/331289350.db2.gz PVROFNKEQSYIEA-UHFFFAOYSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000459628870 331290994 /nfs/dbraw/zinc/29/09/94/331290994.db2.gz FJOGJHXILPOIQV-NSHDSACASA-N 0 3 266.410 2.875 20 30 CFEDHN C[C@H](CCCc1cccnc1)NC[C@H](C#N)CCC#N ZINC000459640538 331291719 /nfs/dbraw/zinc/29/17/19/331291719.db2.gz LMWBWNVQGLWBNC-ZBFHGGJFSA-N 0 3 270.380 2.826 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@@H](OCC)C1 ZINC000459651318 331292155 /nfs/dbraw/zinc/29/21/55/331292155.db2.gz UYNSHBRSBZJRAT-GASCZTMLSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(=O)Nc1ccccc1CNCC(C)(C)CC#N ZINC000459739761 331297299 /nfs/dbraw/zinc/29/72/99/331297299.db2.gz ZCTRPBWVBKOFOM-UHFFFAOYSA-N 0 3 259.353 2.674 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@](C)(CC)CCC)CC1 ZINC000475648650 331640220 /nfs/dbraw/zinc/64/02/20/331640220.db2.gz HWFWCGQTSQSOIW-INIZCTEOSA-N 0 3 266.429 2.969 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](F)C1 ZINC000488877776 332031307 /nfs/dbraw/zinc/03/13/07/332031307.db2.gz IZCRLAJJLQBYOO-SOUVJXGZSA-N 0 3 274.339 2.766 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@H](C)N1CCCCCC1 ZINC000488879003 332031741 /nfs/dbraw/zinc/03/17/41/332031741.db2.gz RBFQVXAHFOMWLO-LSDHHAIUSA-N 0 3 264.413 2.818 20 30 CFEDHN C=CCCCN(CCOC)Cc1scnc1C ZINC000489406482 332050608 /nfs/dbraw/zinc/05/06/08/332050608.db2.gz CHCASQBBNHDUJH-UHFFFAOYSA-N 0 3 254.399 2.866 20 30 CFEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1(C)CCCC1 ZINC000489866648 332070815 /nfs/dbraw/zinc/07/08/15/332070815.db2.gz ZUGXETNEBAGUJS-UHFFFAOYSA-N 0 3 291.439 2.936 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)CCCC(C)C)CC1 ZINC000490574077 332092331 /nfs/dbraw/zinc/09/23/31/332092331.db2.gz BKJVBPLAZBZTSV-OAHLLOKOSA-N 0 3 278.440 2.663 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H](CC)CCCC)CC1 ZINC000490574129 332092392 /nfs/dbraw/zinc/09/23/92/332092392.db2.gz FMTRHZJYIDVBKS-OAHLLOKOSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(CCn1ccnc1C)[C@@H]1CCc2ccccc21 ZINC000490892472 332125568 /nfs/dbraw/zinc/12/55/68/332125568.db2.gz LIDZPHTZEZIZHC-GOSISDBHSA-N 0 3 279.387 2.814 20 30 CFEDHN C#CCN(CCC(C)(C)O)[C@H]1CCc2ccccc21 ZINC000490974456 332134929 /nfs/dbraw/zinc/13/49/29/332134929.db2.gz PEKGVJRNQLOVDD-INIZCTEOSA-N 0 3 257.377 2.770 20 30 CFEDHN C#CCN(CCC(C)(C)O)[C@@H]1CCc2ccccc21 ZINC000490974469 332134968 /nfs/dbraw/zinc/13/49/68/332134968.db2.gz PEKGVJRNQLOVDD-MRXNPFEDSA-N 0 3 257.377 2.770 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCCC#N)C1 ZINC000490990241 332136769 /nfs/dbraw/zinc/13/67/69/332136769.db2.gz MUHDAGSMTMLMBH-ZDUSSCGKSA-N 0 3 281.400 2.527 20 30 CFEDHN C#C[C@H](CC)NCc1ccccc1-c1ccnn1C ZINC000491179552 332161159 /nfs/dbraw/zinc/16/11/59/332161159.db2.gz GISFUBWVRDSPQG-CQSZACIVSA-N 0 3 253.349 2.589 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(C)cc1-c1cnn(C)c1 ZINC000491351295 332195408 /nfs/dbraw/zinc/19/54/08/332195408.db2.gz SSMFILNHFKHFBG-INIZCTEOSA-N 0 3 267.376 2.897 20 30 CFEDHN C#C[C@H](C)N(C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000491453748 332214902 /nfs/dbraw/zinc/21/49/02/332214902.db2.gz TWMLEEZTWHSJCQ-ZDUSSCGKSA-N 0 3 286.375 2.561 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(-n2ccnc2)cc1C ZINC000491523089 332228810 /nfs/dbraw/zinc/22/88/10/332228810.db2.gz BKKOKBFJYOIMQQ-CQSZACIVSA-N 0 3 253.349 2.634 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@H](O)COc1cccc2ccccc21 ZINC000491621495 332246608 /nfs/dbraw/zinc/24/66/08/332246608.db2.gz CVXFKHWQLLVQDT-GDBMZVCRSA-N 0 3 283.371 2.533 20 30 CFEDHN C#C[C@@H](NC1CC(CC(=O)OC)C1)c1ccc(Cl)cc1 ZINC000491622157 332247193 /nfs/dbraw/zinc/24/71/93/332247193.db2.gz DXAUDZPHKCMXOU-WDIPEOLASA-N 0 3 291.778 2.946 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@H]2CCO[C@H](CC)C2)n1 ZINC000491631805 332254220 /nfs/dbraw/zinc/25/42/20/332254220.db2.gz RROHWHHGBVWLOA-DOTOQJQBSA-N 0 3 289.423 2.543 20 30 CFEDHN C#C[C@@H](NC[C@@H](O)c1ccccc1Br)C(C)C ZINC000491634244 332255337 /nfs/dbraw/zinc/25/53/37/332255337.db2.gz UVFMNAITELMXLJ-ZIAGYGMSSA-N 0 3 296.208 2.730 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491672242 332278867 /nfs/dbraw/zinc/27/88/67/332278867.db2.gz OWIMGOHGGGDXOJ-ZIAGYGMSSA-N 0 3 280.412 2.587 20 30 CFEDHN C#C[C@H](C)N(C)CCCc1nc(-c2ccccc2)no1 ZINC000491697057 332292382 /nfs/dbraw/zinc/29/23/82/332292382.db2.gz GELHETWWKWNLLL-ZDUSSCGKSA-N 0 3 269.348 2.623 20 30 CFEDHN C#C[C@H](CC)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000491732177 332313546 /nfs/dbraw/zinc/31/35/46/332313546.db2.gz HGJQWJHPCJVXOL-UAGQMJEPSA-N 0 3 299.418 2.533 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000491738296 332317973 /nfs/dbraw/zinc/31/79/73/332317973.db2.gz HXLQKVZSYNZKIC-CQSZACIVSA-N 0 3 267.376 2.943 20 30 CFEDHN C#CCN(CC)Cc1ccc(-n2ccnc2)cc1C ZINC000491752849 332328588 /nfs/dbraw/zinc/32/85/88/332328588.db2.gz ZOPUANCWHGVXQE-UHFFFAOYSA-N 0 3 253.349 2.636 20 30 CFEDHN C#CCN1CCC(C(=O)NC2(CC)CCCCC2)CC1 ZINC000491759153 332330906 /nfs/dbraw/zinc/33/09/06/332330906.db2.gz LPHYLNSBUQDJDU-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCN(Cc1ccccc1-c1ccnn1C)C1CC1 ZINC000491809586 332362476 /nfs/dbraw/zinc/36/24/76/332362476.db2.gz GXHKAPXZPASWPL-UHFFFAOYSA-N 0 3 265.360 2.685 20 30 CFEDHN CN(C)C/C=C/C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000491841216 332371721 /nfs/dbraw/zinc/37/17/21/332371721.db2.gz BUUXWVCZQDXHCU-MOEXGYKKSA-N 0 3 299.418 2.783 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2cnccc2C)CC1 ZINC000492530201 332401762 /nfs/dbraw/zinc/40/17/62/332401762.db2.gz FVXDUWVMZWBLNY-PLNGDYQASA-N 0 3 299.418 2.560 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336656339 335109976 /nfs/dbraw/zinc/10/99/76/335109976.db2.gz MJIGXDIUQZSRBI-AEFFLSMTSA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCN1CC[C@H](N[C@]2(c3cccc(C)c3)C[C@H]2CC)C1=O ZINC000502545435 332665224 /nfs/dbraw/zinc/66/52/24/332665224.db2.gz XQHPFQKZXLLLHU-HHXXYDBFSA-N 0 3 298.430 2.997 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC1CCCC1)C(C)C ZINC000503435747 332689486 /nfs/dbraw/zinc/68/94/86/332689486.db2.gz TXFZIHGOFWCNIM-MRXNPFEDSA-N 0 3 293.455 2.927 20 30 CFEDHN CC#CCCNCc1cccc(I)c1 ZINC000308453410 333031574 /nfs/dbraw/zinc/03/15/74/333031574.db2.gz DBBFHMIPMKGWAO-UHFFFAOYSA-N 0 3 299.155 2.794 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000177742240 333062333 /nfs/dbraw/zinc/06/23/33/333062333.db2.gz GGRFYLDDPSOJNA-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)CCCC ZINC000517205515 333094464 /nfs/dbraw/zinc/09/44/64/333094464.db2.gz ZVJLFVWABVSAPV-CQSZACIVSA-N 0 3 254.418 2.922 20 30 CFEDHN C/C=C/C[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000185815743 333149639 /nfs/dbraw/zinc/14/96/39/333149639.db2.gz OKONRLFUEYECNT-KZSQQDEKSA-N 0 3 288.391 2.786 20 30 CFEDHN CC#CCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000185882503 333150953 /nfs/dbraw/zinc/15/09/53/333150953.db2.gz YYWITDGTTHZEBA-UHFFFAOYSA-N 0 3 276.424 2.657 20 30 CFEDHN C=CC1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000522052669 333232061 /nfs/dbraw/zinc/23/20/61/333232061.db2.gz BWEYKHOZYCEGJL-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000522052670 333232213 /nfs/dbraw/zinc/23/22/13/333232213.db2.gz BWEYKHOZYCEGJL-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN N#CC(=C([O-])c1cc(F)cc2nccnc21)c1ccccn1 ZINC000193590200 333253810 /nfs/dbraw/zinc/25/38/10/333253810.db2.gz IDRWASUAVKLOFK-GFCCVEGCSA-N 0 3 292.273 2.654 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccccn1 ZINC000193590200 333253811 /nfs/dbraw/zinc/25/38/11/333253811.db2.gz IDRWASUAVKLOFK-GFCCVEGCSA-N 0 3 292.273 2.654 20 30 CFEDHN C#CCN(CCn1cccn1)[C@@H]1CCc2ccccc21 ZINC000193905000 333260807 /nfs/dbraw/zinc/26/08/07/333260807.db2.gz AUIVGNSOYTWXEP-QGZVFWFLSA-N 0 3 265.360 2.506 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000194705935 333275753 /nfs/dbraw/zinc/27/57/53/333275753.db2.gz PVFSUJDLELVIBX-HNNXBMFYSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)C1CCCCC1 ZINC000194705949 333276024 /nfs/dbraw/zinc/27/60/24/333276024.db2.gz PVFSUJDLELVIBX-OAHLLOKOSA-N 0 3 296.455 2.691 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000522976416 333302465 /nfs/dbraw/zinc/30/24/65/333302465.db2.gz QPFDRJJPGMCIHC-GGZOMVNGSA-N 0 3 293.164 2.581 20 30 CFEDHN C#C[C@H](CC)NCc1cnc(C)n1-c1ccccc1 ZINC000229876103 333310429 /nfs/dbraw/zinc/31/04/29/333310429.db2.gz RTGMMZMVWGJLQP-CQSZACIVSA-N 0 3 253.349 2.682 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CCC[C@@H](O)C1 ZINC000230669815 333320407 /nfs/dbraw/zinc/32/04/07/333320407.db2.gz BSQHLFAPQQVQOT-GDBMZVCRSA-N 0 3 275.392 2.892 20 30 CFEDHN C=CCCCCCN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000524724195 333372874 /nfs/dbraw/zinc/37/28/74/333372874.db2.gz XZRLTXWUQFGVCF-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000524811544 333389171 /nfs/dbraw/zinc/38/91/71/333389171.db2.gz NNVAXAUELRPPOH-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC000528449774 333438796 /nfs/dbraw/zinc/43/87/96/333438796.db2.gz QGVLTLBCBRAAFF-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccc(CC)cc1)C(C)C ZINC000067445823 333637595 /nfs/dbraw/zinc/63/75/95/333637595.db2.gz KZMOGQITDISVIT-QGZVFWFLSA-N 0 3 274.408 2.838 20 30 CFEDHN CCn1nc(C)c(CN2CCC(CC#N)CC2)c1C ZINC000540994702 333757200 /nfs/dbraw/zinc/75/72/00/333757200.db2.gz GOUQFIYULOSMKA-UHFFFAOYSA-N 0 3 260.385 2.646 20 30 CFEDHN N#CCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000541019195 333758948 /nfs/dbraw/zinc/75/89/48/333758948.db2.gz BKAXVEWSKBEDPD-UHFFFAOYSA-N 0 3 298.390 2.758 20 30 CFEDHN COc1ccccc1[C@@H](CO)NCCCC(C)(C)C#N ZINC000541980685 333804946 /nfs/dbraw/zinc/80/49/46/333804946.db2.gz JQWPJAJBDDUQNF-CQSZACIVSA-N 0 3 276.380 2.648 20 30 CFEDHN CC(C)(C)CN1CCC[C@@H](N2CCC(CC#N)CC2)C1=O ZINC000547307657 334077647 /nfs/dbraw/zinc/07/76/47/334077647.db2.gz DXCUBZWQJXBEQT-OAHLLOKOSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@H](CCc1n[nH]c2ccccc21)NC[C@H](C)C#N ZINC000547362332 334083360 /nfs/dbraw/zinc/08/33/60/334083360.db2.gz WARUYFQSWSFSAL-VXGBXAGGSA-N 0 3 256.353 2.633 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000134292248 334087312 /nfs/dbraw/zinc/08/73/12/334087312.db2.gz JUOLPWKQPLZMJD-ZBFHGGJFSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134621007 334097840 /nfs/dbraw/zinc/09/78/40/334097840.db2.gz LVVWQUVSCCGVMZ-CHWSQXEVSA-N 0 3 268.401 2.940 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc3cc[nH]c32)CC1 ZINC000547527996 334098853 /nfs/dbraw/zinc/09/88/53/334098853.db2.gz OTOQZAXDDFEYGV-UHFFFAOYSA-N 0 3 298.390 2.940 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000547651581 334106010 /nfs/dbraw/zinc/10/60/10/334106010.db2.gz FFJRUEOOXZPJOL-DOTOQJQBSA-N 0 3 286.419 2.804 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@H](C)N1CCCC1)c1ccccc1 ZINC000547665080 334107366 /nfs/dbraw/zinc/10/73/66/334107366.db2.gz KMZZGHIKYNZHPF-RDJZCZTQSA-N 0 3 286.419 2.947 20 30 CFEDHN N#CCc1ccccc1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000549715280 334202625 /nfs/dbraw/zinc/20/26/25/334202625.db2.gz IRLYESNAFKZRRP-INIZCTEOSA-N 0 3 283.375 2.566 20 30 CFEDHN CN(Cc1ccc2c(c1)OCCO2)[C@@H]1CC[C@@H](C#N)C1 ZINC000549741825 334203257 /nfs/dbraw/zinc/20/32/57/334203257.db2.gz SDJDFKKJUYYGGK-TZMCWYRMSA-N 0 3 272.348 2.582 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H](c1ccccc1)N1CCCC1 ZINC000551683447 334257678 /nfs/dbraw/zinc/25/76/78/334257678.db2.gz KEVKDARPYYGGQM-WMZOPIPTSA-N 0 3 296.418 2.857 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249784782 334340328 /nfs/dbraw/zinc/34/03/28/334340328.db2.gz RDEHYCWJNJAYHT-CABCVRRESA-N 0 3 281.444 2.714 20 30 CFEDHN CC#CCN[C@](C)(CC)COc1ncccc1Cl ZINC000091688410 334381940 /nfs/dbraw/zinc/38/19/40/334381940.db2.gz DDCKCGTXJNQWRE-CQSZACIVSA-N 0 3 266.772 2.895 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(C(F)F)CCCC2)CC1 ZINC000564887272 334526279 /nfs/dbraw/zinc/52/62/79/334526279.db2.gz FSMLTMHSEPJKLS-UHFFFAOYSA-N 0 3 286.366 2.579 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)C1(C#N)CC(C)C1 ZINC000565933755 334609904 /nfs/dbraw/zinc/60/99/04/334609904.db2.gz NHFYJRXXHVKALM-CKDBGZEDSA-N 0 3 291.439 2.553 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000566980876 334671801 /nfs/dbraw/zinc/67/18/01/334671801.db2.gz BZVCAYHPVTZREV-CZUORRHYSA-N 0 3 272.392 2.592 20 30 CFEDHN CC#CCCN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000155410044 334720946 /nfs/dbraw/zinc/72/09/46/334720946.db2.gz SFDXIDWXXYXKLI-UHFFFAOYSA-N 0 3 294.439 2.979 20 30 CFEDHN O[C@H](CCc1ccccc1)CNCC#Cc1ccccc1 ZINC000567680374 334751283 /nfs/dbraw/zinc/75/12/83/334751283.db2.gz WWIGVZKPWDVZLH-LJQANCHMSA-N 0 3 279.383 2.621 20 30 CFEDHN C[C@@H](CNC[C@@H](C#N)CCC#N)Cc1cccs1 ZINC000568078154 334790601 /nfs/dbraw/zinc/79/06/01/334790601.db2.gz HTWKYAOSVZWJJA-CHWSQXEVSA-N 0 3 261.394 2.960 20 30 CFEDHN CCN(Cc1ccc(CC#N)cc1)C[C@H]1CCCO1 ZINC000342669117 335185392 /nfs/dbraw/zinc/18/53/92/335185392.db2.gz QKHGGMBFOSDFFO-MRXNPFEDSA-N 0 3 258.365 2.754 20 30 CFEDHN N#CCc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000342688401 335185635 /nfs/dbraw/zinc/18/56/35/335185635.db2.gz COMKOOAETXZFJM-UHFFFAOYSA-N 0 3 283.419 2.813 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(OC)cc1F ZINC000576760951 335244635 /nfs/dbraw/zinc/24/46/35/335244635.db2.gz SFCWIGJCWVERNF-KGLIPLIRSA-N 0 3 295.354 2.666 20 30 CFEDHN C=CCCCCN1CCCN(CC(F)(F)F)CC1 ZINC000576790407 335248009 /nfs/dbraw/zinc/24/80/09/335248009.db2.gz UBKCEPDMERUACG-UHFFFAOYSA-N 0 3 264.335 2.913 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192504632 335266693 /nfs/dbraw/zinc/26/66/93/335266693.db2.gz ZHDVEZQIMHWOSW-MSOLQXFVSA-N 0 3 299.418 2.782 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCC#Cc1ccc(F)cc1 ZINC000578327113 335610758 /nfs/dbraw/zinc/61/07/58/335610758.db2.gz QWBYTKPWNDOYJG-BBRMVZONSA-N 0 3 263.356 2.564 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cncc(Br)c1 ZINC000579129747 335714256 /nfs/dbraw/zinc/71/42/56/335714256.db2.gz JSUMMQHIXNOCTK-MNOVXSKESA-N 0 3 299.212 2.679 20 30 CFEDHN CC#CCN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000181980561 335793259 /nfs/dbraw/zinc/79/32/59/335793259.db2.gz AJUMBRQJQGHWFY-MRXNPFEDSA-N 0 3 259.349 2.768 20 30 CFEDHN C=CC[C@@H](CC)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000369753591 335950592 /nfs/dbraw/zinc/95/05/92/335950592.db2.gz FYFXISYMUQDMJR-TZMCWYRMSA-N 0 3 297.395 2.989 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000581079538 336005612 /nfs/dbraw/zinc/00/56/12/336005612.db2.gz DLZHVQMKDUYYGW-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN Cc1cc(C)cc(OC[C@@H](O)CNCC(C)(C)CC#N)c1 ZINC000581424892 336074859 /nfs/dbraw/zinc/07/48/59/336074859.db2.gz MSGPEGFOKZMLIH-HNNXBMFYSA-N 0 3 290.407 2.573 20 30 CFEDHN C=CCOCCCN1CCN(C)C2(CCCCC2)C1 ZINC000581615460 336112833 /nfs/dbraw/zinc/11/28/33/336112833.db2.gz HWBCSRIGUBNMQY-UHFFFAOYSA-N 0 3 266.429 2.529 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccncc1C ZINC001085588189 782109308 /nfs/dbraw/zinc/10/93/08/782109308.db2.gz GYKAYHABUSUBHY-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085609729 782115398 /nfs/dbraw/zinc/11/53/98/782115398.db2.gz YPTGHCXPSAKYLY-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085669650 782126377 /nfs/dbraw/zinc/12/63/77/782126377.db2.gz DRWZJRAPPIXZOF-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1[nH]c(C)cc1C ZINC001085676125 782131184 /nfs/dbraw/zinc/13/11/84/782131184.db2.gz HYEDOUKWWFVMJU-OAHLLOKOSA-N 0 3 289.423 2.744 20 30 CFEDHN C=CC[C@@H](C(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000275174161 500579186 /nfs/dbraw/zinc/57/91/86/500579186.db2.gz VKIMHKTZJYRRFM-MRXNPFEDSA-N 0 3 272.392 2.557 20 30 CFEDHN CCCCNC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442780849 500657083 /nfs/dbraw/zinc/65/70/83/500657083.db2.gz HDODRMPJYCKZPO-WBVHZDCISA-N 0 3 299.418 2.998 20 30 CFEDHN CCC(C)(C)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000069433674 521300446 /nfs/dbraw/zinc/30/04/46/521300446.db2.gz HZMUYGUIAAROSS-UHFFFAOYSA-N 0 3 259.353 2.617 20 30 CFEDHN Cc1cc(Cl)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354470530 533778552 /nfs/dbraw/zinc/77/85/52/533778552.db2.gz SIGPMAWRINYXBN-GFCCVEGCSA-N 0 3 271.707 2.929 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413073590 533830297 /nfs/dbraw/zinc/83/02/97/533830297.db2.gz OPEOVRZUIGRRFQ-NEPJUHHUSA-N 0 3 276.359 2.625 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775415 782157311 /nfs/dbraw/zinc/15/73/11/782157311.db2.gz VNLQZRMZCNWLAA-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773431 782157455 /nfs/dbraw/zinc/15/74/55/782157455.db2.gz COUPFTPRTCFISW-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC(C)(C)C#N)C1 ZINC000352045561 534109722 /nfs/dbraw/zinc/10/97/22/534109722.db2.gz CHKPREBXXOSDOI-HOCLYGCPSA-N 0 3 299.418 2.878 20 30 CFEDHN C=C[C@@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000436287809 517341921 /nfs/dbraw/zinc/34/19/21/517341921.db2.gz UZJXMCTXVOYROY-GFCCVEGCSA-N 0 3 259.328 2.735 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000336621462 534281403 /nfs/dbraw/zinc/28/14/03/534281403.db2.gz RZHAAVDBGUYUSP-NXEZZACHSA-N 0 3 273.361 2.975 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000191548212 534317184 /nfs/dbraw/zinc/31/71/84/534317184.db2.gz HVNVLGOBZDWWDS-SMDDNHRTSA-N 0 3 279.405 2.759 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)C(C)(C)c1ccccc1 ZINC000181796079 518922365 /nfs/dbraw/zinc/92/23/65/518922365.db2.gz YGTNLHDUHGFTLY-UONOGXRCSA-N 0 3 274.408 2.633 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)o2)C12CCC2 ZINC000174509362 520576350 /nfs/dbraw/zinc/57/63/50/520576350.db2.gz VIILMRYSZUDBHL-KBPBESRZSA-N 0 3 260.337 2.589 20 30 CFEDHN CC1=C(C)CN(CCOc2ccccc2C#N)CC1 ZINC000361617126 520835340 /nfs/dbraw/zinc/83/53/40/520835340.db2.gz AZKMFESOMDVXBC-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000268128461 534565818 /nfs/dbraw/zinc/56/58/18/534565818.db2.gz DUDJCQJEAXYNPW-CQSZACIVSA-N 0 3 264.413 2.603 20 30 CFEDHN C=CCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000263959952 534616068 /nfs/dbraw/zinc/61/60/68/534616068.db2.gz DFSKWPTURFWNQO-CYBMUJFWSA-N 0 3 278.421 2.967 20 30 CFEDHN COC[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)OC ZINC000360875088 522301035 /nfs/dbraw/zinc/30/10/35/522301035.db2.gz WGOTYRDFXKFHSX-NVXWUHKLSA-N 0 3 288.391 2.577 20 30 CFEDHN COc1cc(CNCCOC2CCCC2)ccc1C#N ZINC000234909904 522452947 /nfs/dbraw/zinc/45/29/47/522452947.db2.gz AICMJGGCIFASKL-UHFFFAOYSA-N 0 3 274.364 2.616 20 30 CFEDHN CN(CCNCc1cccc(C#N)c1)Cc1ccccc1 ZINC000067221961 522866233 /nfs/dbraw/zinc/86/62/33/522866233.db2.gz CYCJCZSISDXHHK-UHFFFAOYSA-N 0 3 279.387 2.780 20 30 CFEDHN COC(=O)CCN(Cc1ccc(C#N)c(F)c1)CC(C)C ZINC000191973800 523068631 /nfs/dbraw/zinc/06/86/31/523068631.db2.gz IXZPDSXXRKGDNM-UHFFFAOYSA-N 0 3 292.354 2.718 20 30 CFEDHN CN(Cc1cccc(C#N)c1F)C1CCC(CO)CC1 ZINC000340890582 523297775 /nfs/dbraw/zinc/29/77/75/523297775.db2.gz GYCQRTHNEJCVSO-UHFFFAOYSA-N 0 3 276.355 2.680 20 30 CFEDHN COCCN(Cc1ccc(C#N)o1)[C@@H]1CC[C@H](C)C1 ZINC000361643433 523743620 /nfs/dbraw/zinc/74/36/20/523743620.db2.gz MLOYXGKTTYFOGY-QWHCGFSZSA-N 0 3 262.353 2.788 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000372919383 523754248 /nfs/dbraw/zinc/75/42/48/523754248.db2.gz CFKOUXCSWUBGPA-WFASDCNBSA-N 0 3 286.375 2.750 20 30 CFEDHN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1ccccn1 ZINC000344858251 534740860 /nfs/dbraw/zinc/74/08/60/534740860.db2.gz ZCVMRWQLXQBZEE-NSHDSACASA-N 0 3 291.232 2.985 20 30 CFEDHN COCCOCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360655799 524009849 /nfs/dbraw/zinc/00/98/49/524009849.db2.gz DUYFDAJTLDNKKL-QGZVFWFLSA-N 0 3 288.391 2.578 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000300642588 524013827 /nfs/dbraw/zinc/01/38/27/524013827.db2.gz NVORLMOXDDBIAJ-KGLIPLIRSA-N 0 3 262.328 2.600 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000227830583 524014230 /nfs/dbraw/zinc/01/42/30/524014230.db2.gz NPBZEOIJYNEKHA-NEPJUHHUSA-N 0 3 250.367 2.523 20 30 CFEDHN CN(C)CCN(C(=O)c1cc(C#N)cs1)C1CCCC1 ZINC000084182539 524059667 /nfs/dbraw/zinc/05/96/67/524059667.db2.gz UULCGPAAFHRCJY-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN C[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245523827 524104273 /nfs/dbraw/zinc/10/42/73/524104273.db2.gz NGHMNBNOBZCYCQ-YOEHRIQHSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@H](CCCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000305802840 524150056 /nfs/dbraw/zinc/15/00/56/524150056.db2.gz FEDMMPLPUVTGED-GHMZBOCLSA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cscc1C#N ZINC000340044584 524189869 /nfs/dbraw/zinc/18/98/69/524189869.db2.gz FFFCPVUANSWORH-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC1CCC1 ZINC000061457797 524266428 /nfs/dbraw/zinc/26/64/28/524266428.db2.gz LQLSRDMNMUYYKW-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@@H](C1CCC1)N(C)CC(=O)Nc1cccc(C#N)c1 ZINC000325491966 524335351 /nfs/dbraw/zinc/33/53/51/524335351.db2.gz ASTMMCXCRJCVTB-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN Cc1cc(CN[C@@H]2CCCc3c2cnn3C)ccc1C#N ZINC000335819221 524772621 /nfs/dbraw/zinc/77/26/21/524772621.db2.gz BNBUFWJKEDWIEJ-MRXNPFEDSA-N 0 3 280.375 2.767 20 30 CFEDHN C[C@H]1C[C@H](C)N1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000336055687 524893014 /nfs/dbraw/zinc/89/30/14/524893014.db2.gz KREMSOKVVHVGII-STQMWFEESA-N 0 3 280.375 2.941 20 30 CFEDHN C[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000335188606 524922931 /nfs/dbraw/zinc/92/29/31/524922931.db2.gz DZNWXKLYMXEPDV-CABZTGNLSA-N 0 3 250.342 2.681 20 30 CFEDHN Cc1ccn(C2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000364889746 525589359 /nfs/dbraw/zinc/58/93/59/525589359.db2.gz RRWFZPIPBGFXHH-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000163874881 525823159 /nfs/dbraw/zinc/82/31/59/525823159.db2.gz LHZYWEHUIBSZCZ-SMDDNHRTSA-N 0 3 278.783 2.947 20 30 CFEDHN Cc1ccc2c(c1)CC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000336082726 526156846 /nfs/dbraw/zinc/15/68/46/526156846.db2.gz XFQUBQKZHPUTKB-QGZVFWFLSA-N 0 3 265.360 2.982 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360285143 526221343 /nfs/dbraw/zinc/22/13/43/526221343.db2.gz MYXWLZUJQSDZSA-UHOFOFEASA-N 0 3 299.418 2.889 20 30 CFEDHN C[C@H]1CC(CCNCc2ccc(C#N)o2)C[C@H](C)O1 ZINC000338475267 526226355 /nfs/dbraw/zinc/22/63/55/526226355.db2.gz VJGASJNORHBIKD-RYUDHWBXSA-N 0 3 262.353 2.835 20 30 CFEDHN C[C@H]1CC2(CCC2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000336138939 526234397 /nfs/dbraw/zinc/23/43/97/526234397.db2.gz WWRIOPVJAFKKCO-ZDUSSCGKSA-N 0 3 280.375 2.970 20 30 CFEDHN C=CCN(CCCc1nc(C)no1)CCc1ccco1 ZINC000352700594 526275037 /nfs/dbraw/zinc/27/50/37/526275037.db2.gz SNWBUAXAILTHIN-UHFFFAOYSA-N 0 3 275.352 2.634 20 30 CFEDHN C=CCN(CCOCC(F)(F)F)CCc1ccco1 ZINC000352719779 526307889 /nfs/dbraw/zinc/30/78/89/526307889.db2.gz IKMSQIJOXXOIJZ-UHFFFAOYSA-N 0 3 277.286 2.889 20 30 CFEDHN C=CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000347708162 526455740 /nfs/dbraw/zinc/45/57/40/526455740.db2.gz RLAGCTSVVNFCRU-UHFFFAOYSA-N 0 3 253.349 2.543 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC ZINC001085789317 782164119 /nfs/dbraw/zinc/16/41/19/782164119.db2.gz FNALLSNYHTVXST-MRXNPFEDSA-N 0 3 286.419 2.971 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]([C@@H]3CCOC3)C2)ccc1F ZINC000336449720 526549414 /nfs/dbraw/zinc/54/94/14/526549414.db2.gz FCTALLNHARXQFR-UONOGXRCSA-N 0 3 274.339 2.556 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H]3COCC[C@H]32)ccc1F ZINC000336455145 526549678 /nfs/dbraw/zinc/54/96/78/526549678.db2.gz VAKMEQDFCPPEGD-XJKSGUPXSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]([C@H]3CCOC3)C2)ccc1F ZINC000336449718 526550422 /nfs/dbraw/zinc/55/04/22/526550422.db2.gz FCTALLNHARXQFR-KBPBESRZSA-N 0 3 274.339 2.556 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C2CC2)CC1 ZINC000353312947 526580335 /nfs/dbraw/zinc/58/03/35/526580335.db2.gz JCZUMTANXIIYEU-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1ccc(CN(C[C@H]2CCOC2)C2CC2)cc1F ZINC000191937966 526610386 /nfs/dbraw/zinc/61/03/86/526610386.db2.gz LOBARGJHJNFUND-CYBMUJFWSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000336376371 526612636 /nfs/dbraw/zinc/61/26/36/526612636.db2.gz NHXKXZQUSOBRBS-QGZVFWFLSA-N 0 3 270.376 2.951 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@]3(CCOC3)C2)cc1 ZINC000336223195 526613416 /nfs/dbraw/zinc/61/34/16/526613416.db2.gz JQOBAHMXWCFBTR-MRXNPFEDSA-N 0 3 256.349 2.561 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1C ZINC000115603405 526635955 /nfs/dbraw/zinc/63/59/55/526635955.db2.gz MIXJGVNVPYHQPT-KGLIPLIRSA-N 0 3 260.381 2.645 20 30 CFEDHN Cc1noc([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000054677111 526653829 /nfs/dbraw/zinc/65/38/29/526653829.db2.gz VCLHZRHSXCDOGK-OAHLLOKOSA-N 0 3 282.347 2.629 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348423719 526656379 /nfs/dbraw/zinc/65/63/79/526656379.db2.gz VOBXTTXGZIPGNK-AWEZNQCLSA-N 0 3 286.379 2.511 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCOC1 ZINC000360658438 526691649 /nfs/dbraw/zinc/69/16/49/526691649.db2.gz SNGMLMNIZUCQRS-ZBFHGGJFSA-N 0 3 256.349 2.704 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000185241661 526702080 /nfs/dbraw/zinc/70/20/80/526702080.db2.gz NHLHNNUJMHCMQQ-NVXWUHKLSA-N 0 3 288.435 2.878 20 30 CFEDHN N#Cc1cccc(CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000334906239 526703447 /nfs/dbraw/zinc/70/34/47/526703447.db2.gz CWZNELNQNULVEP-KRWDZBQOSA-N 0 3 270.376 2.807 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344647905 526712234 /nfs/dbraw/zinc/71/22/34/526712234.db2.gz SUQKREBPRVGXGG-UONOGXRCSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCOCCCN(CC)C[C@@H]1COc2ccccc2O1 ZINC000347970855 526747825 /nfs/dbraw/zinc/74/78/25/526747825.db2.gz XJTJSJJWLCNXNS-OAHLLOKOSA-N 0 3 291.391 2.741 20 30 CFEDHN C=CCOCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000347969966 526756811 /nfs/dbraw/zinc/75/68/11/526756811.db2.gz UWHKUGIHHRRCQO-UHFFFAOYSA-N 0 3 278.371 2.540 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@@H]1N(C)CCCC1(C)C)OCC ZINC000344628660 526813790 /nfs/dbraw/zinc/81/37/90/526813790.db2.gz AJPUXKDYSRMZND-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C3CCC3)CC2)c1 ZINC000353466420 526899532 /nfs/dbraw/zinc/89/95/32/526899532.db2.gz ZDETYZOANKKYOR-UHFFFAOYSA-N 0 3 286.419 2.922 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H](CC)c2ccccc2)CC1 ZINC000108707874 526925568 /nfs/dbraw/zinc/92/55/68/526925568.db2.gz YJFYDOCGODAFJH-INIZCTEOSA-N 0 3 298.430 2.642 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H]1CCCN1CCC ZINC000352508594 527013201 /nfs/dbraw/zinc/01/32/01/527013201.db2.gz HXHNXXNVYQKNHM-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000352507938 527013394 /nfs/dbraw/zinc/01/33/94/527013394.db2.gz FGBSAIQHLGZBKI-IHRRRGAJSA-N 0 3 266.429 2.966 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCCC(C)(C)C2)CCC1 ZINC000347490847 527052790 /nfs/dbraw/zinc/05/27/90/527052790.db2.gz SNHFJYXRBBCYQX-UHFFFAOYSA-N 0 3 278.440 2.971 20 30 CFEDHN C=CCCC1(C(=O)NCCN2CCCC[C@H]2C)CC1 ZINC000354600600 527087870 /nfs/dbraw/zinc/08/78/70/527087870.db2.gz SKQVJANIVLHKNK-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000354644837 527154369 /nfs/dbraw/zinc/15/43/69/527154369.db2.gz UJVFCQYIBWFTLE-DZGCQCFKSA-N 0 3 279.428 2.657 20 30 CFEDHN Cn1cc(CN2CCSC(C)(C)CC2)cc1C#N ZINC000336156168 527205410 /nfs/dbraw/zinc/20/54/10/527205410.db2.gz AOWBZRKGNOUMQP-UHFFFAOYSA-N 0 3 263.410 2.614 20 30 CFEDHN C=C[C@@H](CO)NC1CC(c2cccc(Cl)c2)C1 ZINC000353575439 527440986 /nfs/dbraw/zinc/44/09/86/527440986.db2.gz LSSDDXGNOSDWGQ-QRMWWUJWSA-N 0 3 251.757 2.723 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000353572601 527443557 /nfs/dbraw/zinc/44/35/57/527443557.db2.gz SQNPCIAAJBMEPF-PWSUYJOCSA-N 0 3 289.297 2.825 20 30 CFEDHN C=CCC[C@H](NCCN1CCO[C@@H](CC)C1)c1ccco1 ZINC000353586137 527483558 /nfs/dbraw/zinc/48/35/58/527483558.db2.gz CCKKLCRKPAPQCC-HOTGVXAUSA-N 0 3 292.423 2.987 20 30 CFEDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCCC#N ZINC000344805671 527502412 /nfs/dbraw/zinc/50/24/12/527502412.db2.gz FMJWFFHUFLFQAS-XFXZXTDPSA-N 0 3 259.309 2.891 20 30 CFEDHN CC(C)OCC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541592 527994203 /nfs/dbraw/zinc/99/42/03/527994203.db2.gz WZBKTKPBWOQHSV-WMLDXEAASA-N 0 3 290.407 2.727 20 30 CFEDHN CC(C)COC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535884 528111034 /nfs/dbraw/zinc/11/10/34/528111034.db2.gz HWZBQOJGQLQHAM-WMLDXEAASA-N 0 3 290.407 2.585 20 30 CFEDHN CC[C@H](C)[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000347030301 529217432 /nfs/dbraw/zinc/21/74/32/529217432.db2.gz BZDFEIBXMVYABJ-COPLHBTASA-N 0 3 284.363 2.926 20 30 CFEDHN CC[C@@H](C(=O)Nc1cc(C#N)ccc1OC)N(CC)CC ZINC000265435057 535427952 /nfs/dbraw/zinc/42/79/52/535427952.db2.gz DUGFRBCMXHCRAA-AWEZNQCLSA-N 0 3 289.379 2.626 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1cc(C#N)cs1 ZINC000449754014 535754091 /nfs/dbraw/zinc/75/40/91/535754091.db2.gz HZFAMYFZGBYUTI-CHWSQXEVSA-N 0 3 250.367 2.667 20 30 CFEDHN CN(C)CCN(Cc1cccc(F)c1)c1ccc(C#N)cn1 ZINC000268316373 535865000 /nfs/dbraw/zinc/86/50/00/535865000.db2.gz LPLARHYELGJYQV-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(C)c1)[C@@H](O)C(F)(F)F ZINC000443983762 535914754 /nfs/dbraw/zinc/91/47/54/535914754.db2.gz FXPOSFZBMKOVSP-QWHCGFSZSA-N 0 3 286.297 2.658 20 30 CFEDHN COC[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000452090940 536526149 /nfs/dbraw/zinc/52/61/49/536526149.db2.gz RFSRSLKKXOQZPX-ZDUSSCGKSA-N 0 3 276.355 2.946 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000449738168 536814459 /nfs/dbraw/zinc/81/44/59/536814459.db2.gz ZKAKKYGFIUZVSQ-XFBWCDHKSA-N 0 3 288.366 2.991 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCCC[C@H]1CCO ZINC000342044863 536878306 /nfs/dbraw/zinc/87/83/06/536878306.db2.gz GNVMUMHGHCBRJG-INIZCTEOSA-N 0 3 288.391 2.694 20 30 CFEDHN CC(Cc1cccs1)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753937064 574056553 /nfs/dbraw/zinc/05/65/53/574056553.db2.gz YLBOKZZDMZGDBS-BETUJISGSA-N 0 3 276.409 2.527 20 30 CFEDHN c1ccc2c(c1)CCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753941637 574057116 /nfs/dbraw/zinc/05/71/16/574057116.db2.gz ZTSXNHVIVPQVDB-HOTGVXAUSA-N 0 3 282.391 2.587 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000736680542 574065148 /nfs/dbraw/zinc/06/51/48/574065148.db2.gz OAMAHZPJYXNZOY-IUCAKERBSA-N 0 3 259.334 2.633 20 30 CFEDHN CCCCCCCC(=O)NCCN1CC[C@@H](C)C1 ZINC000744798922 574089079 /nfs/dbraw/zinc/08/90/79/574089079.db2.gz RLJFYOWGLOQZRM-CQSZACIVSA-N 0 3 254.418 2.805 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754407584 574094271 /nfs/dbraw/zinc/09/42/71/574094271.db2.gz HFDUUSSHSAXRAM-JSGCOSHPSA-N 0 3 280.412 2.681 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000731135505 574110952 /nfs/dbraw/zinc/11/09/52/574110952.db2.gz AVWCYVDZPREQCQ-GDBMZVCRSA-N 0 3 296.370 2.508 20 30 CFEDHN CC(=NNC(=N)N)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000754706826 574115106 /nfs/dbraw/zinc/11/51/06/574115106.db2.gz RCNQAYLQXHSAOM-UHFFFAOYSA-N 0 3 278.665 2.566 20 30 CFEDHN C[C@@H](NCC(=O)NCCC#N)c1cc2ccccc2s1 ZINC000754751491 574118782 /nfs/dbraw/zinc/11/87/82/574118782.db2.gz DKEUALAMIUDYNR-LLVKDONJSA-N 0 3 287.388 2.582 20 30 CFEDHN C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CC[N@@H+]1C ZINC000741464052 574120385 /nfs/dbraw/zinc/12/03/85/574120385.db2.gz KJXWVTCGOTWXSO-DXVYGPEISA-N 0 3 266.772 2.947 20 30 CFEDHN C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CC[N@H+]1C ZINC000741464052 574120388 /nfs/dbraw/zinc/12/03/88/574120388.db2.gz KJXWVTCGOTWXSO-DXVYGPEISA-N 0 3 266.772 2.947 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)CCCCCC ZINC000731895199 574132947 /nfs/dbraw/zinc/13/29/47/574132947.db2.gz LVWIBVPBEICLAS-UHFFFAOYSA-N 0 3 254.418 2.923 20 30 CFEDHN Cc1cc(CCNC(=O)C(C)C#N)c(C)n1-c1ccccc1 ZINC000746105767 574134092 /nfs/dbraw/zinc/13/40/92/574134092.db2.gz FOSVJCOCOXUDBL-ZDUSSCGKSA-N 0 3 295.386 2.913 20 30 CFEDHN CCCCCCCCNC(=O)N(C)CCN(C)C ZINC000755077596 574136319 /nfs/dbraw/zinc/13/63/19/574136319.db2.gz HGXDNIDDZGWXKM-UHFFFAOYSA-N 0 3 257.422 2.550 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000746246155 574141342 /nfs/dbraw/zinc/14/13/42/574141342.db2.gz JYXDJYBTLLOYML-GUIRCDHDSA-N 0 3 272.348 2.523 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000742180013 574145791 /nfs/dbraw/zinc/14/57/91/574145791.db2.gz MWPUOHQHMSWAQE-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN CC(C)N1CC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000732568331 574161265 /nfs/dbraw/zinc/16/12/65/574161265.db2.gz QDNYCFUGUYKUKF-SECBINFHSA-N 0 3 284.816 2.810 20 30 CFEDHN C#CCN(Cc1cccc(OC)n1)C1CCCCC1 ZINC000738310050 574164247 /nfs/dbraw/zinc/16/42/47/574164247.db2.gz VINYIHCWVZFIDB-UHFFFAOYSA-N 0 3 258.365 2.858 20 30 CFEDHN CCc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)n[nH]1 ZINC000738431756 574169122 /nfs/dbraw/zinc/16/91/22/574169122.db2.gz WTDGAPYNEVUJAO-GFCCVEGCSA-N 0 3 284.363 2.553 20 30 CFEDHN CNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000747108633 574180436 /nfs/dbraw/zinc/18/04/36/574180436.db2.gz IRZXIGBRZYYPTQ-APPZFPTMSA-N 0 3 299.157 2.552 20 30 CFEDHN CCCCCCCCN1CCN(Cc2cnn(C)c2)CC1 ZINC000740877565 574191739 /nfs/dbraw/zinc/19/17/39/574191739.db2.gz IVKSJMIWKFGCRP-UHFFFAOYSA-N 0 3 292.471 2.898 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000755916517 574197873 /nfs/dbraw/zinc/19/78/73/574197873.db2.gz HZDGJHGUJJAYKB-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCCCCCCNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000755077592 574199244 /nfs/dbraw/zinc/19/92/44/574199244.db2.gz HBORMKJYSPHAAB-OAHLLOKOSA-N 0 3 281.444 2.837 20 30 CFEDHN COC(=O)C1CCC(NCc2cc(C#N)ccc2F)CC1 ZINC000756043791 574205987 /nfs/dbraw/zinc/20/59/87/574205987.db2.gz WREIGEYRDCAISE-UHFFFAOYSA-N 0 3 290.338 2.519 20 30 CFEDHN C=CCCCCCN(C)C(=S)NC1CCN(C)CC1 ZINC000739459486 574214825 /nfs/dbraw/zinc/21/48/25/574214825.db2.gz PWNHMZLSEZGDNW-UHFFFAOYSA-N 0 3 283.485 2.633 20 30 CFEDHN CCCCCCCC(=O)N[C@H]1CCCN(CCOC)C1 ZINC000729980601 574240725 /nfs/dbraw/zinc/24/07/25/574240725.db2.gz QIXFTSNMBHDJDW-HNNXBMFYSA-N 0 3 284.444 2.574 20 30 CFEDHN COCCON=C1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000748789686 574266678 /nfs/dbraw/zinc/26/66/78/574266678.db2.gz NMZIHLCXTGBHRJ-AWEZNQCLSA-N 0 3 276.380 2.690 20 30 CFEDHN CCCCCCCCCCN1CCCNC(=O)C1 ZINC000740875710 574272367 /nfs/dbraw/zinc/27/23/67/574272367.db2.gz FMUHUYKUWYOOJP-UHFFFAOYSA-N 0 3 254.418 2.949 20 30 CFEDHN CCCCCCCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000740876365 574272444 /nfs/dbraw/zinc/27/24/44/574272444.db2.gz RUECDROOKGWTIV-MRXNPFEDSA-N 0 3 296.455 2.670 20 30 CFEDHN C#CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000734280093 574280002 /nfs/dbraw/zinc/28/00/02/574280002.db2.gz HDZTVUANLWIKDQ-KRWDZBQOSA-N 0 3 299.418 2.536 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)s1 ZINC000749110228 574280256 /nfs/dbraw/zinc/28/02/56/574280256.db2.gz BBFGHYZDCZYELS-CYBMUJFWSA-N 0 3 294.326 2.721 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)[C@H](O)c1cccc(F)c1 ZINC000749120795 574281218 /nfs/dbraw/zinc/28/12/18/574281218.db2.gz WZWUJYXFEZGUKP-PXAZEXFGSA-N 0 3 284.334 2.909 20 30 CFEDHN Cc1nnc(C)n1N=C[C@@H](C)CCc1ccccc1 ZINC000749157762 574283027 /nfs/dbraw/zinc/28/30/27/574283027.db2.gz DESXAOBERDCFNT-LBPRGKRZSA-N 0 3 256.353 2.998 20 30 CFEDHN Cc1ccc(NC(=S)NN=C2CCN(C)[C@@H](C)C2)cc1 ZINC000741456979 574290839 /nfs/dbraw/zinc/29/08/39/574290839.db2.gz LMAFAJLUSXUYOR-LBPRGKRZSA-N 0 3 290.436 2.752 20 30 CFEDHN C[C@@H]1CC(=NNCCCc2ccccc2)CCN1C ZINC000741464567 574291714 /nfs/dbraw/zinc/29/17/14/574291714.db2.gz QXZZHPPQFFJARG-CQSZACIVSA-N 0 3 259.397 2.679 20 30 CFEDHN CCN1CCC(N=Nc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000741463919 574291781 /nfs/dbraw/zinc/29/17/81/574291781.db2.gz LABPDIXBZDCTRZ-LBPRGKRZSA-N 0 3 299.378 2.866 20 30 CFEDHN CCCCCCCCOCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000741721645 574299672 /nfs/dbraw/zinc/29/96/72/574299672.db2.gz AIWFWUOPIULWAW-HOTGVXAUSA-N 0 3 298.471 2.962 20 30 CFEDHN C#CCN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000725797439 574309871 /nfs/dbraw/zinc/30/98/71/574309871.db2.gz CGUHSEAPJRMYBA-LSDHHAIUSA-N 0 3 292.423 2.874 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC(C)(C)C)nc(C)n1 ZINC000735209436 574316928 /nfs/dbraw/zinc/31/69/28/574316928.db2.gz WNNHFZJYCPCERT-SYTKJHMZSA-N 0 3 257.337 2.872 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC(C)(C)C)nc(C)n1 ZINC000735209437 574316946 /nfs/dbraw/zinc/31/69/46/574316946.db2.gz WNNHFZJYCPCERT-ZHRWSRJISA-N 0 3 257.337 2.872 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@H](CC)CCCC)CC1 ZINC000742179724 574317089 /nfs/dbraw/zinc/31/70/89/574317089.db2.gz IHRPMTINLBIFDZ-OAHLLOKOSA-N 0 3 278.440 2.807 20 30 CFEDHN CCN(Cc1cc(Cl)ccc1OCC#N)CC(C)(C)O ZINC000735310689 574320525 /nfs/dbraw/zinc/32/05/25/574320525.db2.gz BCJAQABPXGAIRU-UHFFFAOYSA-N 0 3 296.798 2.835 20 30 CFEDHN C#CCCOc1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000742373981 574325565 /nfs/dbraw/zinc/32/55/65/574325565.db2.gz MQYHAFFZNFEYEX-UHFFFAOYSA-N 0 3 297.402 2.847 20 30 CFEDHN CCCCCCN(C)CC(=O)N[C@@H](C#N)CC(C)C ZINC000735653384 574332223 /nfs/dbraw/zinc/33/22/23/574332223.db2.gz FRZFZYHDQPFTEJ-CQSZACIVSA-N 0 3 267.417 2.553 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3CCOCC3)nc21 ZINC000735789139 574335501 /nfs/dbraw/zinc/33/55/01/574335501.db2.gz KDHOABZUODWVGW-CYBMUJFWSA-N 0 3 297.358 2.864 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC3CCOCC3)[nH]c21 ZINC000735789139 574335504 /nfs/dbraw/zinc/33/55/04/574335504.db2.gz KDHOABZUODWVGW-CYBMUJFWSA-N 0 3 297.358 2.864 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C(\C)C(C)(C)C)CC1 ZINC000742642705 574337809 /nfs/dbraw/zinc/33/78/09/574337809.db2.gz KGJJTJRCVJLXPM-OUKQBFOZSA-N 0 3 264.413 2.745 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCC1N=Nc1cccnn1 ZINC000735973639 574345726 /nfs/dbraw/zinc/34/57/26/574345726.db2.gz OOSNFBMBAZKMAQ-AWEZNQCLSA-N 0 3 295.390 2.787 20 30 CFEDHN C#CCNC(=O)CN[C@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000750880336 574359155 /nfs/dbraw/zinc/35/91/55/574359155.db2.gz UFFYWRPZBWCHPY-LJQANCHMSA-N 0 3 298.430 2.675 20 30 CFEDHN C#CCNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)C1CC1 ZINC000750880333 574359203 /nfs/dbraw/zinc/35/92/03/574359203.db2.gz UFFYWRPZBWCHPY-IBGZPJMESA-N 0 3 298.430 2.675 20 30 CFEDHN COc1ccc(N=NC2CN(C(C)C)C[C@@H]2C)cc1 ZINC000750921904 574362950 /nfs/dbraw/zinc/36/29/50/574362950.db2.gz LUMCBBWRMGTMRK-LBPRGKRZSA-N 0 3 261.369 2.823 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000743472227 574366098 /nfs/dbraw/zinc/36/60/98/574366098.db2.gz BNCRJOMLNPUDED-AWEZNQCLSA-N 0 3 286.419 2.774 20 30 CFEDHN C[C@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C)S1 ZINC000743856992 574374597 /nfs/dbraw/zinc/37/45/97/574374597.db2.gz QXXQCANOPLGKFV-STQMWFEESA-N 0 3 276.405 2.915 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccco1 ZINC000744021727 574375782 /nfs/dbraw/zinc/37/57/82/574375782.db2.gz DHYZEKVCWWYUPG-CHWSQXEVSA-N 0 3 290.363 2.788 20 30 CFEDHN N#CC(C(=O)C1=COCC1)c1ccc2ccccc2n1 ZINC000744015973 574375813 /nfs/dbraw/zinc/37/58/13/574375813.db2.gz FXODJKWGLKEJDU-ZDUSSCGKSA-N 0 3 264.284 2.715 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000744010925 574375939 /nfs/dbraw/zinc/37/59/39/574375939.db2.gz SZFFLRGGRKFWFS-TVRMLOFPSA-N 0 3 251.289 2.705 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1nccc2sccc21 ZINC000752164707 574388648 /nfs/dbraw/zinc/38/86/48/574388648.db2.gz OVENXWNYPXJSEZ-SECBINFHSA-N 0 3 260.366 2.646 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(Cl)c(F)c1 ZINC000752165186 574388685 /nfs/dbraw/zinc/38/86/85/574388685.db2.gz GULWSPXFHZEJBU-MRVPVSSYSA-N 0 3 255.724 2.829 20 30 CFEDHN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000753049537 574397858 /nfs/dbraw/zinc/39/78/58/574397858.db2.gz XPYDUKBBUNFABZ-GOEBONIOSA-N 0 3 285.391 2.582 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)nc1 ZINC000753530879 574403965 /nfs/dbraw/zinc/40/39/65/574403965.db2.gz ARKVEBULMOUNBO-AWEZNQCLSA-N 0 3 293.326 2.660 20 30 CFEDHN C#CCOCCN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000753762548 574409774 /nfs/dbraw/zinc/40/97/74/574409774.db2.gz VUDDJYVOHJXJLO-CQSZACIVSA-N 0 3 261.365 2.774 20 30 CFEDHN C#CCOCCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000753761829 574409868 /nfs/dbraw/zinc/40/98/68/574409868.db2.gz QHYAXNLYVQIAHS-LLVKDONJSA-N 0 3 269.291 2.588 20 30 CFEDHN C#CCOCCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000753766626 574409980 /nfs/dbraw/zinc/40/99/80/574409980.db2.gz GUVOYBRPFQFHBD-LLVKDONJSA-N 0 3 287.281 2.886 20 30 CFEDHN C#CCOCCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000753769868 574409986 /nfs/dbraw/zinc/40/99/86/574409986.db2.gz RIORMIVXJJXCSQ-HNNXBMFYSA-N 0 3 271.360 2.672 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894605 608482736 /nfs/dbraw/zinc/48/27/36/608482736.db2.gz URMQMAHLZAJKQM-NWDGAFQWSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894605 608482738 /nfs/dbraw/zinc/48/27/38/608482738.db2.gz URMQMAHLZAJKQM-NWDGAFQWSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823893908 607682704 /nfs/dbraw/zinc/68/27/04/607682704.db2.gz AZARCQLDESJTRL-OAHLLOKOSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823893908 607682705 /nfs/dbraw/zinc/68/27/05/607682705.db2.gz AZARCQLDESJTRL-OAHLLOKOSA-N 0 3 283.379 2.701 20 30 CFEDHN CC[C@@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900618100 620696220 /nfs/dbraw/zinc/69/62/20/620696220.db2.gz VHBAZRCNJMOILJ-GFCCVEGCSA-N 0 3 261.373 2.552 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cccc(C(C)C)c2)C1 ZINC000970690773 612995140 /nfs/dbraw/zinc/99/51/40/612995140.db2.gz VPDZDTYRLUZTND-OAHLLOKOSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974722384 613037630 /nfs/dbraw/zinc/03/76/30/613037630.db2.gz PEUTZDSXCRCAEK-HOTGVXAUSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2ccccc2CC)C(C)(C)C1 ZINC000974964035 613038525 /nfs/dbraw/zinc/03/85/25/613038525.db2.gz OVAPVHJGWHZEMS-KRWDZBQOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977557229 613038528 /nfs/dbraw/zinc/03/85/28/613038528.db2.gz GIKGHWUPZOEFTI-KRWDZBQOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977314521 613038961 /nfs/dbraw/zinc/03/89/61/613038961.db2.gz ACUUZRAQWKBKOM-AWEZNQCLSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC000968831670 613145667 /nfs/dbraw/zinc/14/56/67/613145667.db2.gz PFYNRPCLGCSIJW-QGZVFWFLSA-N 0 3 288.435 2.871 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000948542768 613161828 /nfs/dbraw/zinc/16/18/28/613161828.db2.gz UWPIHYUQPJHUCQ-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000948693342 613178422 /nfs/dbraw/zinc/17/84/22/613178422.db2.gz JZKKEAMRJVLIBR-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000948758577 613178953 /nfs/dbraw/zinc/17/89/53/613178953.db2.gz IGFDTGSIDPQMFU-BQFCYCMXSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)c2sccc2C)CC1 ZINC000948148656 613180513 /nfs/dbraw/zinc/18/05/13/613180513.db2.gz CZWOEOKENPPXHK-AWEZNQCLSA-N 0 3 290.432 2.616 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC=C)CC2(C)C)cc1 ZINC000940937477 613185321 /nfs/dbraw/zinc/18/53/21/613185321.db2.gz AVANKTRIDZCKIA-QGZVFWFLSA-N 0 3 296.414 2.684 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)C[C@@H]1C ZINC000947689971 613222867 /nfs/dbraw/zinc/22/28/67/613222867.db2.gz OTNJBOYRPZTSQG-LSDHHAIUSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCCC2)C[C@H]1C ZINC000947027867 613224966 /nfs/dbraw/zinc/22/49/66/613224966.db2.gz VHPGWAVRNGTOSE-GDBMZVCRSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C[C@@H]1C ZINC000947735656 613235077 /nfs/dbraw/zinc/23/50/77/613235077.db2.gz NQVUFKAEXUWYON-WMLDXEAASA-N 0 3 282.387 2.546 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2C)C[C@H]1C ZINC000947994007 613237245 /nfs/dbraw/zinc/23/72/45/613237245.db2.gz LNAUJLMYEHEYGI-GDBMZVCRSA-N 0 3 284.403 2.519 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC000980665333 613254708 /nfs/dbraw/zinc/25/47/08/613254708.db2.gz GILHFRYEKMFVIV-UHFFFAOYSA-N 0 3 276.380 2.702 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)C[C@H]1C ZINC000947689968 613257187 /nfs/dbraw/zinc/25/71/87/613257187.db2.gz OTNJBOYRPZTSQG-CABCVRRESA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2C)C[C@H]1C ZINC000947731571 613263934 /nfs/dbraw/zinc/26/39/34/613263934.db2.gz NYIDQTJBZGHHSD-CVEARBPZSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000947974842 613265831 /nfs/dbraw/zinc/26/58/31/613265831.db2.gz HKDZOZMBQXMAJM-RDJZCZTQSA-N 0 3 284.403 2.519 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(F)cc2F)C1 ZINC000970828405 613300251 /nfs/dbraw/zinc/30/02/51/613300251.db2.gz CHTNHHNIOZAQGD-LLVKDONJSA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC000970845148 613303050 /nfs/dbraw/zinc/30/30/50/613303050.db2.gz DLKRWHRSZOPJLA-NSHDSACASA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC000970331650 613303438 /nfs/dbraw/zinc/30/34/38/613303438.db2.gz KGRLYHORVPMMSX-LBPRGKRZSA-N 0 3 288.391 2.783 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2oc(C)cc2C)C1 ZINC000969450780 613304365 /nfs/dbraw/zinc/30/43/65/613304365.db2.gz ZFWNDPWIZYXELH-ZDUSSCGKSA-N 0 3 276.380 2.523 20 30 CFEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1ocnc1C ZINC000968799792 613307096 /nfs/dbraw/zinc/30/70/96/613307096.db2.gz KBELCRSHBJGCSH-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1conc1C ZINC000969010687 613307253 /nfs/dbraw/zinc/30/72/53/613307253.db2.gz AJUMAYRSQPQESB-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000981813079 613307671 /nfs/dbraw/zinc/30/76/71/613307671.db2.gz BZMIIASMLOUQNM-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000981226290 613308194 /nfs/dbraw/zinc/30/81/94/613308194.db2.gz CJIUYUJCIFLLIB-CVEARBPZSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000964835616 613325954 /nfs/dbraw/zinc/32/59/54/613325954.db2.gz IZCJDZGHVKWKHQ-CZUORRHYSA-N 0 3 290.382 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968276672 613332161 /nfs/dbraw/zinc/33/21/61/613332161.db2.gz WYIMUZVFOYFJLR-GJZGRUSLSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000964835612 613332829 /nfs/dbraw/zinc/33/28/29/613332829.db2.gz IZCJDZGHVKWKHQ-BBRMVZONSA-N 0 3 290.382 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964838524 613334057 /nfs/dbraw/zinc/33/40/57/613334057.db2.gz QDRWWKZEWXQRII-DZGCQCFKSA-N 0 3 292.448 2.693 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972789419 613338035 /nfs/dbraw/zinc/33/80/35/613338035.db2.gz PXIOFFVWAMEPFO-HUUCEWRRSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972764056 613342131 /nfs/dbraw/zinc/34/21/31/613342131.db2.gz QHMVEFURQNZTIS-HNNXBMFYSA-N 0 3 272.392 2.703 20 30 CFEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC12CC2 ZINC000960314204 613350545 /nfs/dbraw/zinc/35/05/45/613350545.db2.gz WRDAQOMNETYQNG-BRWVUGGUSA-N 0 3 296.414 2.734 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)C3CCC3)C[C@H]2C1 ZINC000979496759 613380707 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617996054 /nfs/dbraw/zinc/99/60/54/617996054.db2.gz NYGYJKOHEUDPGN-OWCLPIDISA-N 0 3 296.455 2.594 20 30 CFEDHN C=CC[C@@H]1CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000934469200 618045079 /nfs/dbraw/zinc/04/50/79/618045079.db2.gz QHCLFTNSKUXGAS-GFCCVEGCSA-N 0 3 292.335 2.633 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021549147 618055160 /nfs/dbraw/zinc/05/51/60/618055160.db2.gz XAXJLYHNFAUVKT-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN CC(C)n1cc([C@@H](C)NCC(C)(C)CCC#N)nn1 ZINC000926426351 618101033 /nfs/dbraw/zinc/10/10/33/618101033.db2.gz AUOKUUCQRPDJDB-GFCCVEGCSA-N 0 3 263.389 2.840 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](C)COC)c([O-])c1 ZINC000255563831 618123721 /nfs/dbraw/zinc/12/37/21/618123721.db2.gz VFRMGJFQJUQLDG-MFVBVHDHSA-N 0 3 278.396 2.940 20 30 CFEDHN CCNc1ccccc1C=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901301510 620779713 /nfs/dbraw/zinc/77/97/13/620779713.db2.gz WLDYIMCGEBQLIF-AGGWBTHJSA-N 0 3 275.396 2.998 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001022979077 618139541 /nfs/dbraw/zinc/13/95/41/618139541.db2.gz JCIKHZRCIRLVOM-TXEJJXNPSA-N 0 3 296.798 2.753 20 30 CFEDHN C[C@H]1CC(NN=C2CCCc3cc(N)ccc32)C[C@H](C)O1 ZINC000901303547 620780819 /nfs/dbraw/zinc/78/08/19/620780819.db2.gz OHCJAJCLURIKQN-RYUDHWBXSA-N 0 3 287.407 2.855 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001023100310 618157316 /nfs/dbraw/zinc/15/73/16/618157316.db2.gz GCSQUSIAMJSVMI-OKILXGFUSA-N 0 3 282.815 2.722 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001021880832 618179113 /nfs/dbraw/zinc/17/91/13/618179113.db2.gz XZLGKJYCCGGIPE-OKILXGFUSA-N 0 3 282.815 2.866 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001023330492 618182270 /nfs/dbraw/zinc/18/22/70/618182270.db2.gz KANUPZFSCMZEOE-MRXNPFEDSA-N 0 3 288.435 2.728 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001023443989 618190308 /nfs/dbraw/zinc/19/03/08/618190308.db2.gz YVISZYRFKBXEIA-IAGOWNOFSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCC1(NCc2c(C)cc(C)nc2OC)CCC1 ZINC000933296791 618192004 /nfs/dbraw/zinc/19/20/04/618192004.db2.gz ODZVDUSPNQTQAX-UHFFFAOYSA-N 0 3 258.365 2.743 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CCC1 ZINC000933300756 618194512 /nfs/dbraw/zinc/19/45/12/618194512.db2.gz CYQPZMSYYBSMKW-ZDUSSCGKSA-N 0 3 288.366 2.997 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001023580502 618201948 /nfs/dbraw/zinc/20/19/48/618201948.db2.gz NWHFJAJLHRTVHS-HZPDHXFCSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001023685057 618214388 /nfs/dbraw/zinc/21/43/88/618214388.db2.gz BXVAOIJVKLAVLK-MRXNPFEDSA-N 0 3 298.430 2.885 20 30 CFEDHN C=CCCCCN1CCOc2ccccc2[C@@H]1CO ZINC000933380692 618215903 /nfs/dbraw/zinc/21/59/03/618215903.db2.gz SUWPDRJLYDGGEY-HNNXBMFYSA-N 0 3 261.365 2.771 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001023714828 618216186 /nfs/dbraw/zinc/21/61/86/618216186.db2.gz VILLEPGZZHGVGK-MRXNPFEDSA-N 0 3 298.430 2.885 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001023721388 618216562 /nfs/dbraw/zinc/21/65/62/618216562.db2.gz BVMGFPXLQQYGLA-KRWDZBQOSA-N 0 3 298.430 2.769 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001023719470 618216637 /nfs/dbraw/zinc/21/66/37/618216637.db2.gz ADSUFOJBNNIONK-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)c2ccc(F)s2)C1 ZINC001023774203 618224949 /nfs/dbraw/zinc/22/49/49/618224949.db2.gz BFKYDITXRJGJHG-NSHDSACASA-N 0 3 282.384 2.515 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926611740 618234502 /nfs/dbraw/zinc/23/45/02/618234502.db2.gz PXVMBBGAGTUASD-ZETOZRRWSA-N 0 3 265.328 2.773 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)c2cccc(F)c2)s1 ZINC000176956625 618246847 /nfs/dbraw/zinc/24/68/47/618246847.db2.gz ZFMXYFFTAKTZIB-AWEZNQCLSA-N 0 3 276.336 2.582 20 30 CFEDHN C[C@H](C#N)OCCN(C)Cc1ccc(Br)cc1 ZINC000310160139 618269280 /nfs/dbraw/zinc/26/92/80/618269280.db2.gz LQZHYCZKCPRCDD-LLVKDONJSA-N 0 3 297.196 2.810 20 30 CFEDHN CCCCCCCCN1CCN(CC(C)(C)O)CC1 ZINC000112727339 618286985 /nfs/dbraw/zinc/28/69/85/618286985.db2.gz PMZQPODVOBDOTD-UHFFFAOYSA-N 0 3 270.461 2.735 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001024321278 618291318 /nfs/dbraw/zinc/29/13/18/618291318.db2.gz DTLBAEUYZZKWCM-ZDUSSCGKSA-N 0 3 295.814 2.829 20 30 CFEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCCCCC ZINC000892464821 618306017 /nfs/dbraw/zinc/30/60/17/618306017.db2.gz KDNLNTQOKNRXPJ-LBPRGKRZSA-N 0 3 264.369 2.604 20 30 CFEDHN C=C[C@@H]1CCCCN1[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894092357 618321060 /nfs/dbraw/zinc/32/10/60/618321060.db2.gz YXFNNMLMASCSKY-MGPQQGTHSA-N 0 3 269.360 2.661 20 30 CFEDHN CC#CCCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000186304940 618353556 /nfs/dbraw/zinc/35/35/56/618353556.db2.gz UZTHNZJJLKKAJS-KRWDZBQOSA-N 0 3 285.387 2.998 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cnn(C2CCC2)c1 ZINC000925631519 618359574 /nfs/dbraw/zinc/35/95/74/618359574.db2.gz HPQGNMPJGXFLPZ-CYBMUJFWSA-N 0 3 263.385 2.851 20 30 CFEDHN OC[C@@]1(CNCC#Cc2ccccc2)CCc2ccccc21 ZINC000895140440 618372171 /nfs/dbraw/zinc/37/21/71/618372171.db2.gz FJWLIFNTIRISIL-FQEVSTJZSA-N 0 3 291.394 2.504 20 30 CFEDHN CC[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895157069 618403374 /nfs/dbraw/zinc/40/33/74/618403374.db2.gz MGJZIYUSZBERBW-UONOGXRCSA-N 0 3 296.798 2.631 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024612128 618416738 /nfs/dbraw/zinc/41/67/38/618416738.db2.gz LFRBPOXDPUTELC-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024629235 618425837 /nfs/dbraw/zinc/42/58/37/618425837.db2.gz AAFRQJGPEZBNCH-WMZOPIPTSA-N 0 3 298.430 2.873 20 30 CFEDHN N#Cc1csc(CN2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877738392 618460745 /nfs/dbraw/zinc/46/07/45/618460745.db2.gz KUQFPBDBEYXDAI-RYUDHWBXSA-N 0 3 264.419 2.805 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024787069 618468977 /nfs/dbraw/zinc/46/89/77/618468977.db2.gz WNXHEHXFAOVOTM-SFHVURJKSA-N 0 3 298.430 2.857 20 30 CFEDHN C#CC1(O)CCN(C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000895386100 618562629 /nfs/dbraw/zinc/56/26/29/618562629.db2.gz SOOCVDNQADHCPZ-GFCCVEGCSA-N 0 3 279.330 2.528 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC000895391597 618563958 /nfs/dbraw/zinc/56/39/58/618563958.db2.gz ZSQPUSPZPKAHFF-ZDUSSCGKSA-N 0 3 288.391 2.770 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cc(C)c(OC)c(Cl)c1 ZINC000850571957 618655229 /nfs/dbraw/zinc/65/52/29/618655229.db2.gz FUJZKUNWFQEDOP-CMPLNLGQSA-N 0 3 269.772 2.855 20 30 CFEDHN C#CCCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000180736885 618671606 /nfs/dbraw/zinc/67/16/06/618671606.db2.gz VSXMPMRQYMDUFL-HNNXBMFYSA-N 0 3 282.343 2.836 20 30 CFEDHN C[C@H]1CSCCN1CCCOc1ccc(C#N)cc1 ZINC000070219853 625285346 /nfs/dbraw/zinc/28/53/46/625285346.db2.gz FNZCQRUYAXAKET-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN CO[C@@](C)(CNCc1cc(C#N)ccc1F)C1CC1 ZINC000311452628 618712513 /nfs/dbraw/zinc/71/25/13/618712513.db2.gz JRAMQQOHFDLVSF-HNNXBMFYSA-N 0 3 262.328 2.602 20 30 CFEDHN C=C1CC(C)(C(=O)N2CC[C@H](NCc3ccsc3)C2)C1 ZINC001019352075 618729024 /nfs/dbraw/zinc/72/90/24/618729024.db2.gz AFHROJMIPSHAMN-AWEZNQCLSA-N 0 3 290.432 2.795 20 30 CFEDHN C(#Cc1ccccc1)CNCCOC1CCCCC1 ZINC000111638096 618761295 /nfs/dbraw/zinc/76/12/95/618761295.db2.gz YKMLWARRPIYRAR-UHFFFAOYSA-N 0 3 257.377 2.977 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000852098016 618761569 /nfs/dbraw/zinc/76/15/69/618761569.db2.gz CJFNGKXIMGQJCB-AWEZNQCLSA-N 0 3 298.839 2.751 20 30 CFEDHN CC[C@H](C[C@](C)(O)CC)NCC1(C#N)CCCC1 ZINC000926874047 618778018 /nfs/dbraw/zinc/77/80/18/618778018.db2.gz MLPSDEOGXLHJDW-ZIAGYGMSSA-N 0 3 252.402 2.990 20 30 CFEDHN C[C@@H](NCC#Cc1ccccc1)[C@@H](O)Cc1ccccc1 ZINC000893190989 618874274 /nfs/dbraw/zinc/87/42/74/618874274.db2.gz HOQADJLJJHBOPJ-APWZRJJASA-N 0 3 279.383 2.620 20 30 CFEDHN COCCOC[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000893194889 618876997 /nfs/dbraw/zinc/87/69/97/618876997.db2.gz NMYYHMKSKKJGRO-ZBFHGGJFSA-N 0 3 276.380 2.673 20 30 CFEDHN C=CCCOCCNCc1c(C)nn(C(C)C)c1C ZINC000893251054 618907075 /nfs/dbraw/zinc/90/70/75/618907075.db2.gz GNDUVEVSPNOGHQ-UHFFFAOYSA-N 0 3 265.401 2.763 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009602358 619002902 /nfs/dbraw/zinc/00/29/02/619002902.db2.gz LQBYBOSCVKZYIY-WMZOPIPTSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009747343 619024643 /nfs/dbraw/zinc/02/46/43/619024643.db2.gz AWCSRKIPXUTRED-AWEZNQCLSA-N 0 3 290.451 2.663 20 30 CFEDHN CO[C@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000893510503 619028149 /nfs/dbraw/zinc/02/81/49/619028149.db2.gz HXXJFTKYZUHYEM-LBPRGKRZSA-N 0 3 250.367 2.621 20 30 CFEDHN COCC[C@@H](Cc1ccco1)NCC#Cc1ccccc1 ZINC000893516446 619032112 /nfs/dbraw/zinc/03/21/12/619032112.db2.gz SHWDKNXGHRWRHK-KRWDZBQOSA-N 0 3 283.371 2.869 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC)cc1 ZINC000105263003 619084296 /nfs/dbraw/zinc/08/42/96/619084296.db2.gz VKNJDGNAEYYSSN-FZMZJTMJSA-N 0 3 272.348 2.942 20 30 CFEDHN C#CCOc1ccccc1CN[C@H](C)[C@H]1CC1(F)F ZINC000840966000 619167651 /nfs/dbraw/zinc/16/76/51/619167651.db2.gz LICIOWSANQKLEQ-DGCLKSJQSA-N 0 3 265.303 2.832 20 30 CFEDHN C=C1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000893875635 619233540 /nfs/dbraw/zinc/23/35/40/619233540.db2.gz UWDXUMBGTDZUOH-IAGOWNOFSA-N 0 3 299.418 2.793 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCC#Cc2ccccc2)cc1 ZINC000893933782 619247077 /nfs/dbraw/zinc/24/70/77/619247077.db2.gz YGXQLEFGBYIHMP-IBGZPJMESA-N 0 3 279.383 2.540 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000894218603 619267984 /nfs/dbraw/zinc/26/79/84/619267984.db2.gz HGYALSWSXIOETE-WFASDCNBSA-N 0 3 265.328 2.602 20 30 CFEDHN COC(=O)[C@@H](CNCc1csc(C#N)c1)CC(C)C ZINC000894536372 619414863 /nfs/dbraw/zinc/41/48/63/619414863.db2.gz DYSSYONOLGQHIO-GFCCVEGCSA-N 0 3 280.393 2.545 20 30 CFEDHN C=C(C)CNC(=S)Nc1cccc(CN(C)C)c1 ZINC000044133138 619450351 /nfs/dbraw/zinc/45/03/51/619450351.db2.gz AJPIIWJUQXNCLT-UHFFFAOYSA-N 0 3 263.410 2.611 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(CCCOC(C)(C)C)CC1 ZINC000880413268 619483623 /nfs/dbraw/zinc/48/36/23/619483623.db2.gz IQWOSVYPAWDAEO-HNNXBMFYSA-N 0 3 281.444 2.501 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000895605521 619568971 /nfs/dbraw/zinc/56/89/71/619568971.db2.gz OIMJUEDNODCGOG-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN C#CCC1(O)CCN(C/C=C\c2cccc(F)c2)CC1 ZINC000895669519 619582519 /nfs/dbraw/zinc/58/25/19/619582519.db2.gz CIWHJSYUCTZKEL-XQRVVYSFSA-N 0 3 273.351 2.689 20 30 CFEDHN C=CCC1(O)CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000895833707 619619662 /nfs/dbraw/zinc/61/96/62/619619662.db2.gz CZASCYHMMLIOFI-UHFFFAOYSA-N 0 3 261.365 2.604 20 30 CFEDHN C[C@H](C[C@H](C)NCC1(C#N)CCC1)NC(=O)OC(C)(C)C ZINC000841898548 619681992 /nfs/dbraw/zinc/68/19/92/619681992.db2.gz NQPCFVYZLOGDFI-QWHCGFSZSA-N 0 3 295.427 2.962 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](c3noc(C)n3)C2)cc1 ZINC000896237883 619701812 /nfs/dbraw/zinc/70/18/12/619701812.db2.gz VNSGYIUYSGEKRP-OAHLLOKOSA-N 0 3 299.374 2.932 20 30 CFEDHN C=C(Cl)CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896451382 619737297 /nfs/dbraw/zinc/73/72/97/619737297.db2.gz CGOQKLMSDHTBDL-AWEZNQCLSA-N 0 3 296.798 2.603 20 30 CFEDHN C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)CCO1 ZINC000896583689 619766570 /nfs/dbraw/zinc/76/65/70/619766570.db2.gz FLUAHSFNYPDMSC-HNNXBMFYSA-N 0 3 288.391 2.980 20 30 CFEDHN C=C1CCC(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC000896665902 619786885 /nfs/dbraw/zinc/78/68/85/619786885.db2.gz LKBIXJSYTXZPCM-CVEARBPZSA-N 0 3 291.439 2.611 20 30 CFEDHN C#CCCCCCCNCc1cc(C2CC2)n(C)n1 ZINC000897230131 619954754 /nfs/dbraw/zinc/95/47/54/619954754.db2.gz FGVVQGKQVHVEBN-UHFFFAOYSA-N 0 3 259.397 2.971 20 30 CFEDHN CC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1[O-] ZINC000925262380 620092011 /nfs/dbraw/zinc/09/20/11/620092011.db2.gz CCTRYNSYKAETDR-UKRRQHHQSA-N 0 3 296.374 2.585 20 30 CFEDHN CC[C@@](O)(CCC(F)(F)F)CNCc1ccc(C#N)o1 ZINC000897520953 620202878 /nfs/dbraw/zinc/20/28/78/620202878.db2.gz BJJHZKQMBDUCNK-GFCCVEGCSA-N 0 3 290.285 2.724 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2csc3ccccc23)C1 ZINC000989258439 620241269 /nfs/dbraw/zinc/24/12/69/620241269.db2.gz HKXFLBXBWNKSCD-OLZOCXBDSA-N 0 3 298.411 2.727 20 30 CFEDHN C=CCCN1CCCN(C(=O)C2(F)CCCCC2)CC1 ZINC000989412180 620260035 /nfs/dbraw/zinc/26/00/35/620260035.db2.gz HFWLFXHBOPRSKN-UHFFFAOYSA-N 0 3 282.403 2.769 20 30 CFEDHN C=CCCCN(CC)Cc1cc(Br)nn1C ZINC000898244427 620356314 /nfs/dbraw/zinc/35/63/14/620356314.db2.gz JXMSACVXFZUTGZ-UHFFFAOYSA-N 0 3 286.217 2.971 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925321072 620379743 /nfs/dbraw/zinc/37/97/43/620379743.db2.gz OGTGQPZERFEUIZ-TZMCWYRMSA-N 0 3 293.436 2.538 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000989609696 620383387 /nfs/dbraw/zinc/38/33/87/620383387.db2.gz QSNFVPKKNCRXMP-LUKYLMHMSA-N 0 3 290.451 2.661 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000989758129 620390232 /nfs/dbraw/zinc/39/02/32/620390232.db2.gz HTVPITUYNOBWQC-MRXNPFEDSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000989869780 620396237 /nfs/dbraw/zinc/39/62/37/620396237.db2.gz DLWXSPNRIYZLMV-GDBMZVCRSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989931910 620403378 /nfs/dbraw/zinc/40/33/78/620403378.db2.gz HPLRAXBPNRAZFJ-GOEBONIOSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@H]12 ZINC000989948446 620404880 /nfs/dbraw/zinc/40/48/80/620404880.db2.gz MBFVRRPSXZSODN-ZFWWWQNUSA-N 0 3 293.798 2.581 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C=C3CCCCC3)CCC[C@H]12 ZINC000989998595 620407326 /nfs/dbraw/zinc/40/73/26/620407326.db2.gz GIUUVEDEYYYQKU-WMZOPIPTSA-N 0 3 286.419 2.623 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990546501 620429923 /nfs/dbraw/zinc/42/99/23/620429923.db2.gz RLZLUCAQHRJLQY-CRAIPNDOSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1COC[C@@H]1C1CC1 ZINC000898388438 620458149 /nfs/dbraw/zinc/45/81/49/620458149.db2.gz SZQBLJACNPFLGW-HZPDHXFCSA-N 0 3 273.376 2.766 20 30 CFEDHN CCc1noc(C)c1[C@H](C)NCCNc1ccc(C#N)cn1 ZINC000927165708 620519792 /nfs/dbraw/zinc/51/97/92/620519792.db2.gz TZAVJWCUBJBQCM-NSHDSACASA-N 0 3 299.378 2.575 20 30 CFEDHN C=CCC[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(=O)[O-] ZINC000901692411 620896271 /nfs/dbraw/zinc/89/62/71/620896271.db2.gz MUIKMBDRGFXPJO-MRXNPFEDSA-N 0 3 294.439 2.793 20 30 CFEDHN CCCC[C@@H](COC)N[C@H](C)c1cc(C#N)ccn1 ZINC000902808074 621175745 /nfs/dbraw/zinc/17/57/45/621175745.db2.gz BNXBXBALOLREKI-OCCSQVGLSA-N 0 3 261.369 2.809 20 30 CFEDHN Cc1nc(CCN[C@H](C)c2cc(C#N)ccn2)sc1C ZINC000902843351 621189726 /nfs/dbraw/zinc/18/97/26/621189726.db2.gz PFCYELYMRBVQOL-LLVKDONJSA-N 0 3 286.404 2.920 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902869483 621192518 /nfs/dbraw/zinc/19/25/18/621192518.db2.gz XLBODRHUSCFRNL-GLJUWKHASA-N 0 3 295.386 2.768 20 30 CFEDHN C[C@@H](N[C@H]1CCC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902919784 621203038 /nfs/dbraw/zinc/20/30/38/621203038.db2.gz PITMSDZJEDIURA-KOLCDFICSA-N 0 3 251.280 2.792 20 30 CFEDHN C#CCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C)CC1 ZINC000902986414 621217664 /nfs/dbraw/zinc/21/76/64/621217664.db2.gz ZJGYGRJVOUTJNM-UHFFFAOYSA-N 0 3 299.418 2.810 20 30 CFEDHN Cc1cccc2c1OC[C@H](N[C@@H](C)c1cc(C#N)ccn1)C2 ZINC000902997558 621224141 /nfs/dbraw/zinc/22/41/41/621224141.db2.gz WONZVGIUPPZPOS-XJKSGUPXSA-N 0 3 293.370 2.916 20 30 CFEDHN C[C@@H](NCC(C)(C)c1ccccn1)c1cc(C#N)ccn1 ZINC000903005341 621227815 /nfs/dbraw/zinc/22/78/15/621227815.db2.gz SQQLWGJPRMMBDA-CYBMUJFWSA-N 0 3 280.375 2.977 20 30 CFEDHN C[C@@H](C#N)OCCNC1(c2cccc(Cl)c2)CC1 ZINC000801939787 621228587 /nfs/dbraw/zinc/22/85/87/621228587.db2.gz SJHNHIYITCSTCS-NSHDSACASA-N 0 3 264.756 2.847 20 30 CFEDHN CC[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000903035185 621230859 /nfs/dbraw/zinc/23/08/59/621230859.db2.gz KPJIFMUNQQHJSF-HZPDHXFCSA-N 0 3 299.418 2.998 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000903041266 621232462 /nfs/dbraw/zinc/23/24/62/621232462.db2.gz ICAUMWSPAUPIPF-UXIGCNINSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1cc(C#N)ccn1 ZINC000903054572 621235111 /nfs/dbraw/zinc/23/51/11/621235111.db2.gz MTWBBIKJDIMRNB-CABZTGNLSA-N 0 3 265.307 2.895 20 30 CFEDHN C[C@@H](NC[C@]1(C)CC1(F)F)c1cc(C#N)ccn1 ZINC000903051360 621242047 /nfs/dbraw/zinc/24/20/47/621242047.db2.gz JRQLAXGBLVBWOW-SKDRFNHKSA-N 0 3 251.280 2.649 20 30 CFEDHN C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cc(C#N)ccn1 ZINC000903084796 621246807 /nfs/dbraw/zinc/24/68/07/621246807.db2.gz JVNWNZTZECUYHT-AEIGPULVSA-N 0 3 271.364 2.561 20 30 CFEDHN CC[C@@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1 ZINC000903095225 621258672 /nfs/dbraw/zinc/25/86/72/621258672.db2.gz SWPQICPUEHOWQL-DLBZAZTESA-N 0 3 297.402 2.610 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cnn(CC2CCC2)c1 ZINC000903130344 621263485 /nfs/dbraw/zinc/26/34/85/621263485.db2.gz MFUXEVBFLUYADC-CQSZACIVSA-N 0 3 277.412 2.927 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@H]12 ZINC000991019287 621268444 /nfs/dbraw/zinc/26/84/44/621268444.db2.gz MLZSYEAYRCLRRJ-YJBOKZPZSA-N 0 3 299.418 2.805 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@H](C(F)(F)F)O1)c1cc(C#N)ccn1 ZINC000903176970 621275301 /nfs/dbraw/zinc/27/53/01/621275301.db2.gz WPBCEWOOLOLZNJ-UFGOTCBOSA-N 0 3 299.296 2.714 20 30 CFEDHN CCN(C(=O)CN[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000903197954 621282411 /nfs/dbraw/zinc/28/24/11/621282411.db2.gz XTIXVIQZIVGXCJ-CABCVRRESA-N 0 3 285.391 2.711 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1cn(C)nc1Br ZINC000903189097 621286228 /nfs/dbraw/zinc/28/62/28/621286228.db2.gz OOEPNXAHVVNXGW-ZJUUUORDSA-N 0 3 286.217 2.873 20 30 CFEDHN C[C@@H](NCC[C@@H]1CCCC[C@@H]1O)c1cc(C#N)ccn1 ZINC000903263720 621303808 /nfs/dbraw/zinc/30/38/08/621303808.db2.gz NPHNSWZXUCWLQA-INWMFGNUSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903288582 621319607 /nfs/dbraw/zinc/31/96/07/621319607.db2.gz ZDTIFWRCFMPMFG-WZRBSPASSA-N 0 3 259.309 2.938 20 30 CFEDHN C=CCC[C@@H](NCc1cn(C)cn1)[C@H]1Cc2ccccc2O1 ZINC000903352535 621344220 /nfs/dbraw/zinc/34/42/20/621344220.db2.gz USLNVVMJDYQGHI-SJLPKXTDSA-N 0 3 297.402 2.848 20 30 CFEDHN CCN1CCC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000903392858 621352012 /nfs/dbraw/zinc/35/20/12/621352012.db2.gz ZQXLMOGPUUEOFB-DLBZAZTESA-N 0 3 297.402 2.536 20 30 CFEDHN C[C@@H](NCc1ccc(CCO)cc1)c1ccc(C#N)cc1 ZINC000903395084 621352915 /nfs/dbraw/zinc/35/29/15/621352915.db2.gz AGZOVMODASDOEM-CQSZACIVSA-N 0 3 280.371 2.944 20 30 CFEDHN C[C@@H](N[C@@H]1CCOC12CCCC2)c1cc(C#N)ccn1 ZINC000903387535 621358758 /nfs/dbraw/zinc/35/87/58/621358758.db2.gz HXUSMWUQGBPSEE-IUODEOHRSA-N 0 3 271.364 2.706 20 30 CFEDHN C[C@H](N[C@@H]1CCOC12CCCC2)c1cc(C#N)ccn1 ZINC000903387536 621358907 /nfs/dbraw/zinc/35/89/07/621358907.db2.gz HXUSMWUQGBPSEE-SWLSCSKDSA-N 0 3 271.364 2.706 20 30 CFEDHN CC1/C(=C\c2ccc(C3(C#N)CC3)cc2)C(=O)c2ncnn21 ZINC000905083435 621692258 /nfs/dbraw/zinc/69/22/58/621692258.db2.gz DHLQJOUQWUVHSL-GYBQTFJISA-N 0 3 290.326 2.674 20 30 CFEDHN CC1/C(=C\c2ccc(C3CC3)cc2)C(=O)c2ncnn21 ZINC000905084350 621692322 /nfs/dbraw/zinc/69/23/22/621692322.db2.gz IQULZGWAHYUDFA-CEITULEQSA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C/c2ccc(OCC3CC3)cc2)C(=O)c2ncnn21 ZINC000905085111 621692892 /nfs/dbraw/zinc/69/28/92/621692892.db2.gz MLTNCHRFBRBJMI-LWHXSLQUSA-N 0 3 295.342 2.908 20 30 CFEDHN CC1/C(=C\c2cn(C)nc2C2CCCC2)C(=O)c2ncnn21 ZINC000905086986 621693001 /nfs/dbraw/zinc/69/30/01/621693001.db2.gz UYCFZWQFKHGXRZ-SRMXYGTFSA-N 0 3 297.362 2.510 20 30 CFEDHN N#Cc1cc([O-])ccc1-c1cncc([C@@H]2CCC[NH2+]2)c1 ZINC000906179220 621946123 /nfs/dbraw/zinc/94/61/23/621946123.db2.gz VFWUYBMUZBEIHB-INIZCTEOSA-N 0 3 265.316 2.750 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(C2CC2)nn1 ZINC000906313968 621972886 /nfs/dbraw/zinc/97/28/86/621972886.db2.gz OIXKFDPVMBONEL-SWLSCSKDSA-N 0 3 260.385 2.838 20 30 CFEDHN C#CCC1(O)CCN([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906597496 622018935 /nfs/dbraw/zinc/01/89/35/622018935.db2.gz PAUFCVGVRZXQQJ-CVEARBPZSA-N 0 3 273.351 2.532 20 30 CFEDHN C=CCN(C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907518834 622135147 /nfs/dbraw/zinc/13/51/47/622135147.db2.gz QNBKMBOTMILDRC-UHFFFAOYSA-N 0 3 257.337 2.549 20 30 CFEDHN CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908299188 622215758 /nfs/dbraw/zinc/21/57/58/622215758.db2.gz MXYLFMDNZURJID-KRWDZBQOSA-N 0 3 296.374 2.713 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)NCc1ccccn1 ZINC000911646424 622533211 /nfs/dbraw/zinc/53/32/11/622533211.db2.gz PMLXNEHHRDYFNC-HNNXBMFYSA-N 0 3 277.412 2.776 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819734295 622548711 /nfs/dbraw/zinc/54/87/11/622548711.db2.gz LDKJELZJOZHELD-AWEZNQCLSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819734295 622548713 /nfs/dbraw/zinc/54/87/13/622548713.db2.gz LDKJELZJOZHELD-AWEZNQCLSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000911972200 622601493 /nfs/dbraw/zinc/60/14/93/622601493.db2.gz QVDZIDIQLJPSHM-HNNXBMFYSA-N 0 3 258.365 2.797 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCCC34CC4)CCC[C@H]12 ZINC000991362617 622603739 /nfs/dbraw/zinc/60/37/39/622603739.db2.gz RUJFMNYHLITPDT-RLFYNMQTSA-N 0 3 288.435 2.866 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000912021461 622613422 /nfs/dbraw/zinc/61/34/22/622613422.db2.gz ZWCUTYQAWIBDNU-AWEZNQCLSA-N 0 3 280.799 2.982 20 30 CFEDHN CN(C)[C@H]1CCOc2c(Nc3ccnc(C#N)c3)cccc21 ZINC000912103573 622627833 /nfs/dbraw/zinc/62/78/33/622627833.db2.gz ZVEDPTPSRVCDOV-INIZCTEOSA-N 0 3 294.358 2.504 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](CC)c1ccccc1 ZINC000912238772 622664481 /nfs/dbraw/zinc/66/44/81/622664481.db2.gz LMTBJUQYRLRENE-LSDHHAIUSA-N 0 3 260.381 2.938 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1OC(C)C ZINC000912262097 622668779 /nfs/dbraw/zinc/66/87/79/622668779.db2.gz OTDRBDWZIGDYTC-OAHLLOKOSA-N 0 3 290.407 2.774 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000912254680 622673516 /nfs/dbraw/zinc/67/35/16/622673516.db2.gz WBRZPVZZLVWUEC-DOMZBBRYSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000912352152 622692548 /nfs/dbraw/zinc/69/25/48/622692548.db2.gz UTQSTTOFNCJEHE-CYBMUJFWSA-N 0 3 292.379 2.716 20 30 CFEDHN CCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@@H]1CCN(CC)C1 ZINC000912401751 622705278 /nfs/dbraw/zinc/70/52/78/622705278.db2.gz XPIHMEAXRFSWSB-MRXNPFEDSA-N 0 3 299.418 2.731 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Cn2cccn2)c1 ZINC000912400870 622705731 /nfs/dbraw/zinc/70/57/31/622705731.db2.gz FOOOWJWFJNKXEG-INIZCTEOSA-N 0 3 298.390 2.554 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC=C)Cc1ccccc1 ZINC000912489754 622720222 /nfs/dbraw/zinc/72/02/22/622720222.db2.gz OVQDZTZYKGRKPR-MRXNPFEDSA-N 0 3 272.392 2.885 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000912495913 622721852 /nfs/dbraw/zinc/72/18/52/622721852.db2.gz PACWVOXWHNVKNV-JTQLQIEISA-N 0 3 272.801 2.701 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000820874682 622779689 /nfs/dbraw/zinc/77/96/89/622779689.db2.gz RUIVXKDMHYZXSC-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C[C@@H](CC(=O)N1CC[C@@H](N2CCC2)C1)c1ccccc1 ZINC000912913336 622794328 /nfs/dbraw/zinc/79/43/28/622794328.db2.gz JESSTWBZZHSUHD-DOTOQJQBSA-N 0 3 284.403 2.653 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913097342 622835715 /nfs/dbraw/zinc/83/57/15/622835715.db2.gz LPESOPHRUCPSDR-SJLPKXTDSA-N 0 3 298.430 2.673 20 30 CFEDHN C=CCc1cc(OC)cc(CN2CCSCC2)c1O ZINC000164119163 622936892 /nfs/dbraw/zinc/93/68/92/622936892.db2.gz VNDRGUTVIVJUCA-UHFFFAOYSA-N 0 3 279.405 2.678 20 30 CFEDHN C=C(C)CN1CCN(Cc2cccc3cccnc32)CC1 ZINC000046509752 623085461 /nfs/dbraw/zinc/08/54/61/623085461.db2.gz AUYPVQFMOMUHTP-UHFFFAOYSA-N 0 3 281.403 2.929 20 30 CFEDHN C=C(C)COCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168845398 623107566 /nfs/dbraw/zinc/10/75/66/623107566.db2.gz PEHFOMPMXSIHKX-NSHDSACASA-N 0 3 253.317 2.775 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cncc(CC)c3)CCC[C@H]12 ZINC000991858491 623186422 /nfs/dbraw/zinc/18/64/22/623186422.db2.gz GODCWUCGYWXSMT-WMZOPIPTSA-N 0 3 299.418 2.557 20 30 CFEDHN C#C[C@H](CC)NCc1cccc(Br)c1 ZINC000229517879 623209418 /nfs/dbraw/zinc/20/94/18/623209418.db2.gz KRSDVWWSWFSJOU-GFCCVEGCSA-N 0 3 252.155 2.951 20 30 CFEDHN COc1ccc(CNCc2ccccc2)cc1C#N ZINC000087822247 623277844 /nfs/dbraw/zinc/27/78/44/623277844.db2.gz SBGCUCREPWEBNO-UHFFFAOYSA-N 0 3 252.317 2.857 20 30 CFEDHN FC(F)(F)SCCNCC#Cc1ccccc1 ZINC000231951761 623376854 /nfs/dbraw/zinc/37/68/54/623376854.db2.gz JSSPFKKQCQIXDB-UHFFFAOYSA-N 0 3 259.296 2.881 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000823894414 623415671 /nfs/dbraw/zinc/41/56/71/623415671.db2.gz PNIPPYVNWQSSLQ-SNVBAGLBSA-N 0 3 277.397 2.763 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000823894414 623415676 /nfs/dbraw/zinc/41/56/76/623415676.db2.gz PNIPPYVNWQSSLQ-SNVBAGLBSA-N 0 3 277.397 2.763 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCCC3(C)C)CCC[C@H]12 ZINC000992116957 623459162 /nfs/dbraw/zinc/45/91/62/623459162.db2.gz HZPJWQIITAGYRE-RVKKMQEKSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@@H]12 ZINC000992132726 623464701 /nfs/dbraw/zinc/46/47/01/623464701.db2.gz UUUZHVQQBKBNGM-CRAIPNDOSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@H]12 ZINC000992184026 623478938 /nfs/dbraw/zinc/47/89/38/623478938.db2.gz CAVXGUSKVXMHAK-SWLSCSKDSA-N 0 3 293.798 2.581 20 30 CFEDHN C[C@@H]1C[C@H](CNCCC#N)CCN1C(=O)OC(C)(C)C ZINC000824302432 623487159 /nfs/dbraw/zinc/48/71/59/623487159.db2.gz VNGMHLFQKWCHFO-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824363390 623495873 /nfs/dbraw/zinc/49/58/73/623495873.db2.gz DBCNRQXDPKMUJD-HNNXBMFYSA-N 0 3 296.370 2.873 20 30 CFEDHN C#CCN(CC)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000824621532 623534416 /nfs/dbraw/zinc/53/44/16/623534416.db2.gz QZNIMGQDFCYEBM-AWEZNQCLSA-N 0 3 261.365 2.555 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@@H](C)CCCCO ZINC000824655602 623540196 /nfs/dbraw/zinc/54/01/96/623540196.db2.gz XYUTYENSINEIMW-ZDUSSCGKSA-N 0 3 295.810 2.993 20 30 CFEDHN COC(=O)C1(C#N)CCN(C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000824872231 623582088 /nfs/dbraw/zinc/58/20/88/623582088.db2.gz PUMWLDBEMWPOBZ-KGLIPLIRSA-N 0 3 278.396 2.591 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)nc3C)CCC[C@H]12 ZINC000992491344 623615581 /nfs/dbraw/zinc/61/55/81/623615581.db2.gz FAFQSYMFZUYZLO-FUHWJXTLSA-N 0 3 299.418 2.611 20 30 CFEDHN Cc1cccc(CN(CCN(C)C)C(=O)C#CC(C)C)c1 ZINC000826017207 623782943 /nfs/dbraw/zinc/78/29/43/623782943.db2.gz PRAJVSVOXWKCLL-UHFFFAOYSA-N 0 3 286.419 2.545 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988656 623830547 /nfs/dbraw/zinc/83/05/47/623830547.db2.gz DQAUSFFHYWZOFS-WBVHZDCISA-N 0 3 284.403 2.601 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987361 623834684 /nfs/dbraw/zinc/83/46/84/623834684.db2.gz NTTYDAGEBAIECT-GDBMZVCRSA-N 0 3 276.424 2.559 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(C)n2)[C@@H]1C ZINC000993040062 623862402 /nfs/dbraw/zinc/86/24/02/623862402.db2.gz ZGYFNTZUZUDXBZ-GJZGRUSLSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCOc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826779818 623872658 /nfs/dbraw/zinc/87/26/58/623872658.db2.gz DSOHHRUMFLLDOI-UHFFFAOYSA-N 0 3 298.386 2.621 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)nc2)[C@@H]1C ZINC000993073384 623890311 /nfs/dbraw/zinc/89/03/11/623890311.db2.gz QKRJWLVFIUCBSS-HOCLYGCPSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993076803 623894390 /nfs/dbraw/zinc/89/43/90/623894390.db2.gz GQZSBWDUMRCBDL-QWHCGFSZSA-N 0 3 293.436 2.692 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993116796 623923215 /nfs/dbraw/zinc/92/32/15/623923215.db2.gz FOKIWXXWPHSCNQ-NVXWUHKLSA-N 0 3 290.451 2.949 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993126731 623934803 /nfs/dbraw/zinc/93/48/03/623934803.db2.gz KXIWXOYYBYZZLS-YPMHNXCESA-N 0 3 293.436 2.610 20 30 CFEDHN C#C[C@@H](NCc1cnc2ccccc2c1)C1CCOCC1 ZINC000827570269 624034611 /nfs/dbraw/zinc/03/46/11/624034611.db2.gz KKNFCYQYNZEFNX-QGZVFWFLSA-N 0 3 280.371 2.753 20 30 CFEDHN C#C[C@H](NCc1cc(C)ccc1F)C1CCOCC1 ZINC000827566459 624034833 /nfs/dbraw/zinc/03/48/33/624034833.db2.gz VPDFFAOBERSVAG-INIZCTEOSA-N 0 3 261.340 2.652 20 30 CFEDHN C#CCCN(CCOC)Cc1cn(C)nc1-c1ccccc1 ZINC000827823179 624102318 /nfs/dbraw/zinc/10/23/18/624102318.db2.gz JWHGXKLCECHWCE-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN C#CCCN(C/C=C\c1ccc(N(C)C)cc1)CCOC ZINC000827827213 624103836 /nfs/dbraw/zinc/10/38/36/624103836.db2.gz QPDKDEGHOFHMPE-FPLPWBNLSA-N 0 3 286.419 2.738 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC000993761749 624166325 /nfs/dbraw/zinc/16/63/25/624166325.db2.gz JUAOXEUHBFCHDV-GJZGRUSLSA-N 0 3 290.407 2.676 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993823519 624171145 /nfs/dbraw/zinc/17/11/45/624171145.db2.gz YJKOTNKNEZRMFS-HIFRSBDPSA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(C)c2)[C@@H]1C ZINC000994035396 624177064 /nfs/dbraw/zinc/17/70/64/624177064.db2.gz FOGXNXMEQOAIJK-HOCLYGCPSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN(C)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828198949 624199286 /nfs/dbraw/zinc/19/92/86/624199286.db2.gz QLGVQMNKODPIAE-CQSZACIVSA-N 0 3 266.385 2.648 20 30 CFEDHN CC(=NN1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000916588200 624257482 /nfs/dbraw/zinc/25/74/82/624257482.db2.gz MBHCSIQZUVGNNL-UHFFFAOYSA-N 0 3 287.407 2.733 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994298160 624275176 /nfs/dbraw/zinc/27/51/76/624275176.db2.gz QCHNIMZXTLTDRA-WMZOPIPTSA-N 0 3 298.430 2.909 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001015753454 624293688 /nfs/dbraw/zinc/29/36/88/624293688.db2.gz IBYRQDIAUHXEJH-JYJNAYRXSA-N 0 3 290.451 2.969 20 30 CFEDHN N#Cc1c(Cl)nsc1NC[C@H]1CCN(C2CC2)C1 ZINC000917062339 624305116 /nfs/dbraw/zinc/30/51/16/624305116.db2.gz OUAQKNKOSSIWQE-MRVPVSSYSA-N 0 3 282.800 2.564 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@]23C[C@@H]2CCCC3)CC1 ZINC000917137883 624316361 /nfs/dbraw/zinc/31/63/61/624316361.db2.gz ZYLUABJWAACEAZ-WMLDXEAASA-N 0 3 291.439 2.516 20 30 CFEDHN C=CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C(C)C ZINC000917168704 624320582 /nfs/dbraw/zinc/32/05/82/624320582.db2.gz XGJJGKAGCMAWSP-UHFFFAOYSA-N 0 3 291.782 2.744 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000829778904 624533177 /nfs/dbraw/zinc/53/31/77/624533177.db2.gz KCIGBZDMPFMZNS-BLLLJJGKSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000829779409 624534743 /nfs/dbraw/zinc/53/47/43/624534743.db2.gz UAYROOROOMDCAP-JCCCHCCOSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000829784848 624536325 /nfs/dbraw/zinc/53/63/25/624536325.db2.gz NLNCRXBSRWOTLF-HZPDHXFCSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000829785071 624536946 /nfs/dbraw/zinc/53/69/46/624536946.db2.gz QIQQQWHNOLTCEQ-CABCVRRESA-N 0 3 288.435 2.511 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccc(OCC)cn2)C1 ZINC000829788626 624538188 /nfs/dbraw/zinc/53/81/88/624538188.db2.gz BVYMGABSNRIWJS-AWEZNQCLSA-N 0 3 258.365 2.716 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000829810159 624549215 /nfs/dbraw/zinc/54/92/15/624549215.db2.gz MHZMERWVAYHLGT-ZDUSSCGKSA-N 0 3 275.348 2.692 20 30 CFEDHN CC(=NNc1cc(F)cc(F)c1)c1csc(N)n1 ZINC000920375373 624715902 /nfs/dbraw/zinc/71/59/02/624715902.db2.gz WRHYFHANFVTDOD-UHFFFAOYSA-N 0 3 268.292 2.840 20 30 CFEDHN C#CC1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000830345563 624716384 /nfs/dbraw/zinc/71/63/84/624716384.db2.gz IMJZQJOCCQZPDN-SFHVURJKSA-N 0 3 296.414 2.523 20 30 CFEDHN C[C@H](NN=Cc1ccc(N(C)CCO)cc1)c1ccccc1 ZINC000920386148 624716732 /nfs/dbraw/zinc/71/67/32/624716732.db2.gz SAKYPLUVYKZAHB-HNNXBMFYSA-N 0 3 297.402 2.800 20 30 CFEDHN N#CCOc1ccc(CNCc2cccc3nccn32)cc1 ZINC000179423948 624961221 /nfs/dbraw/zinc/96/12/21/624961221.db2.gz ALNKHENHHPMFNP-UHFFFAOYSA-N 0 3 292.342 2.526 20 30 CFEDHN CC(C)C(=O)N[C@H]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC000994796583 624962125 /nfs/dbraw/zinc/96/21/25/624962125.db2.gz WRZZQGCWKSNIOA-YOEHRIQHSA-N 0 3 299.418 2.589 20 30 CFEDHN CC(C)C(=O)N[C@@H]1CC[C@H](CNCc2ccccc2C#N)C1 ZINC000994796574 624962185 /nfs/dbraw/zinc/96/21/85/624962185.db2.gz WRZZQGCWKSNIOA-WMLDXEAASA-N 0 3 299.418 2.589 20 30 CFEDHN C=CCN(C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1)C1CC1 ZINC000831506365 625038199 /nfs/dbraw/zinc/03/81/99/625038199.db2.gz SDEJDBFMERVHTL-CYBMUJFWSA-N 0 3 293.798 2.610 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000831678620 625095488 /nfs/dbraw/zinc/09/54/88/625095488.db2.gz CNCWWDZOFJCYFU-KGLIPLIRSA-N 0 3 292.766 2.675 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@@H](C)c2ccsc21 ZINC000834760350 625838551 /nfs/dbraw/zinc/83/85/51/625838551.db2.gz IUVZCUWFHHZYSC-YPMHNXCESA-N 0 3 299.461 2.877 20 30 CFEDHN N#CC(C(=O)CC[C@@H]1CCCCO1)c1ccccn1 ZINC000083388068 625839384 /nfs/dbraw/zinc/83/93/84/625839384.db2.gz XNSHXGXFRNRSMM-STQMWFEESA-N 0 3 258.321 2.607 20 30 CFEDHN C#Cc1cccc(CN[C@@H]2CCCc3c2cnn3C)c1 ZINC000834902296 625915853 /nfs/dbraw/zinc/91/58/53/625915853.db2.gz GSPWGEGQISSRTF-MRXNPFEDSA-N 0 3 265.360 2.569 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834904096 625917645 /nfs/dbraw/zinc/91/76/45/625917645.db2.gz MSFQPYHPWUDNII-WZRBSPASSA-N 0 3 279.355 2.996 20 30 CFEDHN Cc1ccc([N-][NH+]=C2CCCc3cc(N)ccc32)nn1 ZINC000834955265 625931731 /nfs/dbraw/zinc/93/17/31/625931731.db2.gz KHEVJOHIGCSEAJ-UHFFFAOYSA-N 0 3 267.336 2.520 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NN[C@@H]2CCCOC2)cc1 ZINC000834971614 625938491 /nfs/dbraw/zinc/93/84/91/625938491.db2.gz GARDQJMPCLOQHY-GUBUFZCXSA-N 0 3 273.380 2.520 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NN[C@@H]2CCOC2(C)C)cc1 ZINC000835019822 625965466 /nfs/dbraw/zinc/96/54/66/625965466.db2.gz BRTQHSZDJQYHQN-NTRANVFPSA-N 0 3 287.407 2.909 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2cc(C)cc(C)c2)CC1 ZINC000997405433 625994783 /nfs/dbraw/zinc/99/47/83/625994783.db2.gz DNYYBWQJYFUPIQ-MRXNPFEDSA-N 0 3 298.430 2.767 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)/C(C)=C\C)CC[C@H]1C(F)(F)F ZINC000998247460 626037747 /nfs/dbraw/zinc/03/77/47/626037747.db2.gz DKAHKKNQLNRFDB-XRHVUQDBSA-N 0 3 290.329 2.508 20 30 CFEDHN CO[C@@H](C)CCNCc1cc(C#N)ccc1Br ZINC000921656029 626050363 /nfs/dbraw/zinc/05/03/63/626050363.db2.gz QDKYZWSQAFZTTL-JTQLQIEISA-N 0 3 297.196 2.835 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(CC)o2)C1 ZINC000999000248 626064777 /nfs/dbraw/zinc/06/47/77/626064777.db2.gz FJCCQAUTFAWXIA-UHFFFAOYSA-N 0 3 296.798 2.787 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cocc2C)C1 ZINC000999224846 626068962 /nfs/dbraw/zinc/06/89/62/626068962.db2.gz CIKMNDFSTOSICI-UHFFFAOYSA-N 0 3 282.771 2.533 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001001056072 626141646 /nfs/dbraw/zinc/14/16/46/626141646.db2.gz LUITUGZMUPSYEU-HNNXBMFYSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001001099633 626143705 /nfs/dbraw/zinc/14/37/05/626143705.db2.gz KTACCHGMTFXVDY-GOEBONIOSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc(C)c2C)CC1 ZINC001001420656 626157549 /nfs/dbraw/zinc/15/75/49/626157549.db2.gz RRNVMVKGUXTMCX-UHFFFAOYSA-N 0 3 284.403 2.851 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CCC=CCC2)CC1 ZINC001001446054 626159005 /nfs/dbraw/zinc/15/90/05/626159005.db2.gz ISNXYZNIWRXJCP-UHFFFAOYSA-N 0 3 274.408 2.667 20 30 CFEDHN C#CCN1CCC(CNC(=O)C2CCCCCCC2)CC1 ZINC001001618709 626160952 /nfs/dbraw/zinc/16/09/52/626160952.db2.gz ZJAXPVFROPBQSH-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001796099 626163899 /nfs/dbraw/zinc/16/38/99/626163899.db2.gz BAIGBAQDLAURFD-SJORKVTESA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001002153418 626167671 /nfs/dbraw/zinc/16/76/71/626167671.db2.gz NASALKHIWPSSOZ-QLPKVWCKSA-N 0 3 290.451 2.520 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccco1)NCc1csc(C#N)c1 ZINC000921951246 626184367 /nfs/dbraw/zinc/18/43/67/626184367.db2.gz UPAMOTYWWWWMCS-ZWNOBZJWSA-N 0 3 276.361 2.815 20 30 CFEDHN C[C@@]1(NCc2csc(C#N)c2)CCO[C@H]1C1CC1 ZINC000921990032 626192106 /nfs/dbraw/zinc/19/21/06/626192106.db2.gz MIUNOJKVHOEYDF-UONOGXRCSA-N 0 3 262.378 2.667 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(C)c1Br ZINC000921992851 626193108 /nfs/dbraw/zinc/19/31/08/626193108.db2.gz AGLHMPQQSIPTFD-LBPRGKRZSA-N 0 3 284.197 2.784 20 30 CFEDHN CC1(C)CC[C@@H](CNCc2csc(C#N)c2)O1 ZINC000922021402 626197586 /nfs/dbraw/zinc/19/75/86/626197586.db2.gz OWMXZXLFSIASOT-NSHDSACASA-N 0 3 250.367 2.667 20 30 CFEDHN Cc1nn(C)c(CN[C@H]2CC[C@@H](CC#N)C2)c1Cl ZINC000922159470 626220746 /nfs/dbraw/zinc/22/07/46/626220746.db2.gz GOIFLDKUKKVUFU-QWRGUYRKSA-N 0 3 266.776 2.554 20 30 CFEDHN C=CCOCCCNCc1cc(C)cnc1Cl ZINC000922249503 626251383 /nfs/dbraw/zinc/25/13/83/626251383.db2.gz WZUQGLVRVCUMIZ-UHFFFAOYSA-N 0 3 254.761 2.726 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2CC3(CCC3)CO2)cs1 ZINC000922341868 626275987 /nfs/dbraw/zinc/27/59/87/626275987.db2.gz VMTXAPKGZFYDAA-LBPRGKRZSA-N 0 3 262.378 2.669 20 30 CFEDHN Cc1noc(C)c1CN(C)CCc1ccc(C#N)cc1 ZINC000851726041 634491555 /nfs/dbraw/zinc/49/15/55/634491555.db2.gz JVNQPEDUDYKZQX-UHFFFAOYSA-N 0 3 269.348 2.838 20 30 CFEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004311173 626343162 /nfs/dbraw/zinc/34/31/62/626343162.db2.gz HEXPZOPIJFWJIL-HNNXBMFYSA-N 0 3 296.842 2.852 20 30 CFEDHN N#CC(C(=O)CCC(=O)c1ccccc1)c1ccccn1 ZINC000073971818 626401419 /nfs/dbraw/zinc/40/14/19/626401419.db2.gz HHOVTPHTBRNBLQ-AWEZNQCLSA-N 0 3 278.311 2.921 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cccc(C)n2)CC1 ZINC001005125285 626412081 /nfs/dbraw/zinc/41/20/81/626412081.db2.gz FGSHDWXTWQPICP-UHFFFAOYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccnc(C3CC3)c2)CC1 ZINC001005664312 626419270 /nfs/dbraw/zinc/41/92/70/626419270.db2.gz KTGBHKADUJRPDW-UHFFFAOYSA-N 0 3 299.418 2.681 20 30 CFEDHN C#CCC1(NCc2cc(OC)c(OC)cc2F)CCC1 ZINC000922999519 626441226 /nfs/dbraw/zinc/44/12/26/626441226.db2.gz SHVKNRXOBKMRRG-UHFFFAOYSA-N 0 3 277.339 2.879 20 30 CFEDHN N#Cc1cc(CNC2([C@@H]3CCCCO3)CC2)cs1 ZINC000923023628 626443355 /nfs/dbraw/zinc/44/33/55/626443355.db2.gz AEZSHHAGIHWQIB-ZDUSSCGKSA-N 0 3 262.378 2.811 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2coc(C(F)F)c2)CC1 ZINC001005889213 626446417 /nfs/dbraw/zinc/44/64/17/626446417.db2.gz AJONIWFZQVCMJO-UHFFFAOYSA-N 0 3 298.333 2.940 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2CCC(=C)CC2)CC1 ZINC001005928234 626452189 /nfs/dbraw/zinc/45/21/89/626452189.db2.gz CUWDLFCZNFBFFG-UHFFFAOYSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cccc3[nH]ccc32)CC1 ZINC001006036600 626464170 /nfs/dbraw/zinc/46/41/70/626464170.db2.gz AIKVRXPKENXADQ-UHFFFAOYSA-N 0 3 297.402 2.890 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840788255 626481961 /nfs/dbraw/zinc/48/19/61/626481961.db2.gz WXJLXOGKPMKXLC-SNVBAGLBSA-N 0 3 276.340 2.767 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001006309411 626482699 /nfs/dbraw/zinc/48/26/99/626482699.db2.gz FRHKCTONOHQVFA-ZWKOTPCHSA-N 0 3 298.430 2.899 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(C)C1CCC(CC)CC1 ZINC000838622822 626502230 /nfs/dbraw/zinc/50/22/30/626502230.db2.gz PFBQCCBXECIJSL-UHFFFAOYSA-N 0 3 293.455 2.552 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCC1 ZINC000838866335 626511882 /nfs/dbraw/zinc/51/18/82/626511882.db2.gz OBIPQDUFAFKRDU-XJKSGUPXSA-N 0 3 298.386 2.790 20 30 CFEDHN CC(C)[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103330205 626531374 /nfs/dbraw/zinc/53/13/74/626531374.db2.gz KZVWKIZRQFXDSO-HOTGVXAUSA-N 0 3 298.386 2.804 20 30 CFEDHN CN(CCO)c1ccc(C=NOCc2ccccc2)cc1 ZINC000839419814 626535845 /nfs/dbraw/zinc/53/58/45/626535845.db2.gz OSHYBCUPWVMNER-UHFFFAOYSA-N 0 3 284.359 2.666 20 30 CFEDHN C#CCC1(C(=O)NCCN2CCCCC2)CCCCC1 ZINC000788158887 626538691 /nfs/dbraw/zinc/53/86/91/626538691.db2.gz MGTQJBGXMOVSQM-UHFFFAOYSA-N 0 3 276.424 2.562 20 30 CFEDHN CC(C)(C)[C@H](NC[C@H](O)CC#N)c1ccc(F)cc1 ZINC000809576046 626540883 /nfs/dbraw/zinc/54/08/83/626540883.db2.gz PKCRFEHBWJRMEB-ZIAGYGMSSA-N 0 3 264.344 2.777 20 30 CFEDHN CN(CC(=O)NCCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839651293 626549510 /nfs/dbraw/zinc/54/95/10/626549510.db2.gz SKCQBIFUYBARPH-IAGOWNOFSA-N 0 3 299.418 2.674 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000757858644 626565671 /nfs/dbraw/zinc/56/56/71/626565671.db2.gz PMMVIPYIGUIQKM-NVXWUHKLSA-N 0 3 284.403 2.742 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000757858643 626565722 /nfs/dbraw/zinc/56/57/22/626565722.db2.gz PMMVIPYIGUIQKM-DOTOQJQBSA-N 0 3 284.403 2.742 20 30 CFEDHN COc1ccc(C(C)=NNC2CC2)cc1CN1CCCC1 ZINC000758132266 626578381 /nfs/dbraw/zinc/57/83/81/626578381.db2.gz CTJXEPVIWAIKDP-UHFFFAOYSA-N 0 3 287.407 2.767 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759816786 626693668 /nfs/dbraw/zinc/69/36/68/626693668.db2.gz ZUQDCPGAPMXQRM-RYUDHWBXSA-N 0 3 279.343 2.940 20 30 CFEDHN CC(C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760346178 626737702 /nfs/dbraw/zinc/73/77/02/626737702.db2.gz PVPLWDUILDQLPP-AWEZNQCLSA-N 0 3 295.342 2.855 20 30 CFEDHN COc1ccc(CN[C@H](C)c2ccc[nH]2)cc1C#N ZINC000760446366 626747110 /nfs/dbraw/zinc/74/71/10/626747110.db2.gz SQVUXGSVYJGBID-LLVKDONJSA-N 0 3 255.321 2.746 20 30 CFEDHN C=CCCCCCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000805219468 626807055 /nfs/dbraw/zinc/80/70/55/626807055.db2.gz MHIARJRNPJORKZ-OAHLLOKOSA-N 0 3 264.413 2.866 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000766663825 627213449 /nfs/dbraw/zinc/21/34/49/627213449.db2.gz MMBOVDBSMPQDER-NSHDSACASA-N 0 3 261.365 2.849 20 30 CFEDHN CCOc1ccccc1C=NOCCN1CCCCC1 ZINC000766684766 627214486 /nfs/dbraw/zinc/21/44/86/627214486.db2.gz HNHDDFRWVYKAOA-UHFFFAOYSA-N 0 3 276.380 2.922 20 30 CFEDHN C#CCCCN(C)C1(C(=O)OCC)CCCCC1 ZINC000766919912 627227181 /nfs/dbraw/zinc/22/71/81/627227181.db2.gz DKOIGJJJITYILU-UHFFFAOYSA-N 0 3 251.370 2.598 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000766930555 627227648 /nfs/dbraw/zinc/22/76/48/627227648.db2.gz SMNYZTNAKUMCEJ-WWGRRREGSA-N 0 3 287.363 2.638 20 30 CFEDHN C#C[C@@H](C)N(C)CCOc1ccc(Br)cc1 ZINC000769977241 627494072 /nfs/dbraw/zinc/49/40/72/627494072.db2.gz BMHTUOCBJRKBCZ-LLVKDONJSA-N 0 3 282.181 2.781 20 30 CFEDHN CCCCCCCN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000770001482 627495787 /nfs/dbraw/zinc/49/57/87/627495787.db2.gz NDUPLMREBVJWNQ-AWEZNQCLSA-N 0 3 275.458 2.856 20 30 CFEDHN CCN(CC)c1ccc(C=NNC[C@@H](C)C#N)cc1 ZINC000771099284 627577086 /nfs/dbraw/zinc/57/70/86/627577086.db2.gz PLRIDVYMSFAATD-ZDUSSCGKSA-N 0 3 258.369 2.616 20 30 CFEDHN C#CCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771464617 627605723 /nfs/dbraw/zinc/60/57/23/627605723.db2.gz PKPKENXQVBRICX-UHFFFAOYSA-N 0 3 269.344 2.570 20 30 CFEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000771581879 627615991 /nfs/dbraw/zinc/61/59/91/627615991.db2.gz GLWWMQNKLMZWII-UCUJLANTSA-N 0 3 294.763 2.864 20 30 CFEDHN N=C(N)NN=Cc1ccc(SCc2ccccc2)cc1 ZINC000771877574 627641612 /nfs/dbraw/zinc/64/16/12/627641612.db2.gz SVLIMMNALVADFM-UHFFFAOYSA-N 0 3 284.388 2.796 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccco3)nc21 ZINC000772667303 627733403 /nfs/dbraw/zinc/73/34/03/627733403.db2.gz SBJFNSGWBVCEPC-LBPRGKRZSA-N 0 3 279.299 2.883 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3ccco3)[nH]c21 ZINC000772667303 627733406 /nfs/dbraw/zinc/73/34/06/627733406.db2.gz SBJFNSGWBVCEPC-LBPRGKRZSA-N 0 3 279.299 2.883 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\CCc2cnccn2)c([O-])c1 ZINC000774540108 627936738 /nfs/dbraw/zinc/93/67/38/627936738.db2.gz BHKVNPHTGWCDDN-PDGQHHTCSA-N 0 3 298.390 2.690 20 30 CFEDHN Cc1ccc(CC(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000775229105 628000815 /nfs/dbraw/zinc/00/08/15/628000815.db2.gz ZHGIOJGANDDHSL-HNNXBMFYSA-N 0 3 296.326 2.787 20 30 CFEDHN C#C[C@H](NC1CC(c2cccc(F)c2)C1)[C@@H]1CCCO1 ZINC000775571135 628038390 /nfs/dbraw/zinc/03/83/90/628038390.db2.gz ASKCREHOSKOHKI-KMZOKZLKSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](N[C@@H]1CCc2c1cccc2C)[C@H]1CCCO1 ZINC000775571673 628039532 /nfs/dbraw/zinc/03/95/32/628039532.db2.gz JDFTYPLDCITRBJ-GVDBMIGSSA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@@H](CC)c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000775572824 628040588 /nfs/dbraw/zinc/04/05/88/628040588.db2.gz DGFAONGCKTXOCI-BQFCYCMXSA-N 0 3 285.387 2.843 20 30 CFEDHN C#C[C@H]([NH2+][C@H](CC)c1ccccc1[O-])[C@H]1CCCO1 ZINC000775572402 628041010 /nfs/dbraw/zinc/04/10/10/628041010.db2.gz RRDOJTJTPADFCL-IJEWVQPXSA-N 0 3 259.349 2.614 20 30 CFEDHN C#C[C@H](N[C@H]1CCc2ccc(C)cc21)[C@@H]1CCCO1 ZINC000775574185 628042476 /nfs/dbraw/zinc/04/24/76/628042476.db2.gz OFLVHEKDLMECKM-ULQDDVLXSA-N 0 3 255.361 2.753 20 30 CFEDHN C#CCN(Cc1cn(C)nc1CC)C1CCCCC1 ZINC000775664999 628052380 /nfs/dbraw/zinc/05/23/80/628052380.db2.gz UVMDTNKQHBWBHN-UHFFFAOYSA-N 0 3 259.397 2.750 20 30 CFEDHN C#C[C@@H](NCCSc1ccccc1F)[C@@H]1CCCO1 ZINC000775787912 628067838 /nfs/dbraw/zinc/06/78/38/628067838.db2.gz BRUVYAVKJMUTLP-KGLIPLIRSA-N 0 3 279.380 2.688 20 30 CFEDHN C#C[C@H](NCCc1ccccc1Cl)[C@H]1CCCO1 ZINC000775790029 628067897 /nfs/dbraw/zinc/06/78/97/628067897.db2.gz PFSWRWQTDUOZIK-LSDHHAIUSA-N 0 3 263.768 2.653 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000775984929 628091414 /nfs/dbraw/zinc/09/14/14/628091414.db2.gz IGXILEMAPYTXEK-RRFJBIMHSA-N 0 3 287.407 2.502 20 30 CFEDHN CCc1cc(CN[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000776159650 628108114 /nfs/dbraw/zinc/10/81/14/628108114.db2.gz YTZZMIIZRDMVSE-NSHDSACASA-N 0 3 254.337 2.695 20 30 CFEDHN C=CC[C@H](CO)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776257649 628122935 /nfs/dbraw/zinc/12/29/35/628122935.db2.gz ZSTJMJUMURGYNX-NSHDSACASA-N 0 3 269.772 2.628 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737083 628250205 /nfs/dbraw/zinc/25/02/05/628250205.db2.gz JGQWDNRTSRPRPL-MRXNPFEDSA-N 0 3 276.355 2.659 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC[C@H](O)CC ZINC000778172821 628283659 /nfs/dbraw/zinc/28/36/59/628283659.db2.gz PNYNSRAFENWAOG-CYBMUJFWSA-N 0 3 295.810 2.993 20 30 CFEDHN CC[C@H](C(=O)C(C#N)c1nc(C)cs1)N(CC)CC ZINC000778595466 628319028 /nfs/dbraw/zinc/31/90/28/628319028.db2.gz OXZFCGFUOSNYFN-NWDGAFQWSA-N 0 3 279.409 2.748 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000852097037 634650309 /nfs/dbraw/zinc/65/03/09/634650309.db2.gz JCFIWONZEXWBPW-CRAIPNDOSA-N 0 3 286.419 2.872 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000852097497 634650674 /nfs/dbraw/zinc/65/06/74/634650674.db2.gz PZVYUXUKBUMZIB-YOEHRIQHSA-N 0 3 272.392 2.598 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810528930 628372294 /nfs/dbraw/zinc/37/22/94/628372294.db2.gz YNBLWVKHRABXGK-QWHCGFSZSA-N 0 3 296.436 2.535 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000852098055 634651878 /nfs/dbraw/zinc/65/18/78/634651878.db2.gz DLYPLZCJJMSSLD-ZWKOTPCHSA-N 0 3 286.419 2.891 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000852098468 634651967 /nfs/dbraw/zinc/65/19/67/634651967.db2.gz OFIAEQQOZDSMGT-PBHICJAKSA-N 0 3 278.440 2.948 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000852097841 634652041 /nfs/dbraw/zinc/65/20/41/634652041.db2.gz XVTDNMQDJDCUHM-KSSFIOAISA-N 0 3 286.419 2.818 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000852098813 634653011 /nfs/dbraw/zinc/65/30/11/634653011.db2.gz WUJFAQBOTFIYSQ-TTZDDIAXSA-N 0 3 264.413 2.556 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000852099348 634653043 /nfs/dbraw/zinc/65/30/43/634653043.db2.gz KHYUYLNSGHFZKU-QAPCUYQASA-N 0 3 286.419 2.733 20 30 CFEDHN CC1(C)CC(N=Nc2ccncc2)CN1Cc1ccccc1 ZINC000779810465 628409189 /nfs/dbraw/zinc/40/91/89/628409189.db2.gz CBIRWZNVBXNTLP-UHFFFAOYSA-N 0 3 294.402 2.956 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000852100075 634654589 /nfs/dbraw/zinc/65/45/89/634654589.db2.gz SXIXQQTYHQQWDO-LRDDRELGSA-N 0 3 292.810 2.736 20 30 CFEDHN C#C[C@](C)(CC)NCc1cc(=O)oc2cc(C)ccc12 ZINC000852100775 634655593 /nfs/dbraw/zinc/65/55/93/634655593.db2.gz KRLIHQPSMPSJRA-QGZVFWFLSA-N 0 3 269.344 2.993 20 30 CFEDHN CC1(C#N)CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000780333701 628455929 /nfs/dbraw/zinc/45/59/29/628455929.db2.gz CDVPPPSBTIHJEO-UHFFFAOYSA-N 0 3 283.375 2.953 20 30 CFEDHN C#C[C@@](C)(CC)NC[C@H](O)c1ccc(F)cc1Cl ZINC000852103732 634659364 /nfs/dbraw/zinc/65/93/64/634659364.db2.gz PUOUASOCDUEAHO-KBPBESRZSA-N 0 3 269.747 2.904 20 30 CFEDHN C#C[C@@](C)(CC)NC[C@@H](O)c1cc2ccccc2o1 ZINC000852103610 634659460 /nfs/dbraw/zinc/65/94/60/634659460.db2.gz MDNPERADZADJEI-CJNGLKHVSA-N 0 3 257.333 2.858 20 30 CFEDHN CC(C)C[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000781419843 628547252 /nfs/dbraw/zinc/54/72/52/628547252.db2.gz DWVJPEWJALEWDW-WCQYABFASA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)(C)CCNN=Cc1ccc(N2CCOCC2)cc1 ZINC000782903248 628662724 /nfs/dbraw/zinc/66/27/24/628662724.db2.gz SLJAUCGVNBMJRL-UHFFFAOYSA-N 0 3 289.423 2.883 20 30 CFEDHN COc1cccc(C[C@@H](C)NCc2cc(C#N)ccc2F)n1 ZINC000783518155 628715723 /nfs/dbraw/zinc/71/57/23/628715723.db2.gz KEGPBUICQCEXCV-GFCCVEGCSA-N 0 3 299.349 2.822 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CC(C)(C)c2ccccc21 ZINC000783532547 628718004 /nfs/dbraw/zinc/71/80/04/628718004.db2.gz RHCZLFSBVMVADG-OAHLLOKOSA-N 0 3 293.432 2.599 20 30 CFEDHN C#CCOCCN[C@H](CC)c1ccc(F)cc1F ZINC000784078996 628773219 /nfs/dbraw/zinc/77/32/19/628773219.db2.gz GXEMQOAAYOSJJI-CQSZACIVSA-N 0 3 253.292 2.655 20 30 CFEDHN COC(=O)C[C@@H](NCc1ccc(C#N)cc1Cl)C1CC1 ZINC000784348036 628808327 /nfs/dbraw/zinc/80/83/27/628808327.db2.gz RUPUVSVHEPNEMG-CQSZACIVSA-N 0 3 292.766 2.643 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cnccc2C)nc(C)n1 ZINC000784834991 628844628 /nfs/dbraw/zinc/84/46/28/628844628.db2.gz WXJXRSAPBNGKCA-XVWMLYKFSA-N 0 3 292.342 2.687 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CC2)c1 ZINC000786551090 628968399 /nfs/dbraw/zinc/96/83/99/628968399.db2.gz ZYDQNLBXTLRZTC-OAHLLOKOSA-N 0 3 284.359 2.510 20 30 CFEDHN CO[C@H](c1ccccc1)[C@@H](C)NCc1ccc(C#N)cn1 ZINC000786919454 628984785 /nfs/dbraw/zinc/98/47/85/628984785.db2.gz LRWZGPQLFATDCV-DYVFJYSZSA-N 0 3 281.359 2.819 20 30 CFEDHN CO[C@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)cn1 ZINC000786919455 628984888 /nfs/dbraw/zinc/98/48/88/628984888.db2.gz LRWZGPQLFATDCV-GUYCJALGSA-N 0 3 281.359 2.819 20 30 CFEDHN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)N(C)Cc2ccccc2)C1 ZINC000787070488 628991494 /nfs/dbraw/zinc/99/14/94/628991494.db2.gz GHXAFIBJWPVUOX-FVQBIDKESA-N 0 3 298.386 2.790 20 30 CFEDHN C/C(C=Nn1c(C)nnc1C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787153379 628996789 /nfs/dbraw/zinc/99/67/89/628996789.db2.gz SOYNHXLUFZLRIH-XWGRQAHWSA-N 0 3 285.307 2.741 20 30 CFEDHN CC(=NN[C@H]1CCOC1)c1ccc(N2CCCCC2)cc1 ZINC000788440519 629067144 /nfs/dbraw/zinc/06/71/44/629067144.db2.gz VJEWRQWFTFDWPL-INIZCTEOSA-N 0 3 287.407 2.779 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000788538912 629080337 /nfs/dbraw/zinc/08/03/37/629080337.db2.gz OXQBYUVTIUUXOS-IRXDYDNUSA-N 0 3 284.359 2.999 20 30 CFEDHN C#Cc1ccc(CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000788846160 629104607 /nfs/dbraw/zinc/10/46/07/629104607.db2.gz GYNUVHYUFTXQQB-LJQANCHMSA-N 0 3 277.367 2.760 20 30 CFEDHN COc1ccc(C)cc1C(C)=NNc1nccn1C ZINC000790305163 629228965 /nfs/dbraw/zinc/22/89/65/629228965.db2.gz BNWQINZZKUIUDC-UHFFFAOYSA-N 0 3 258.325 2.573 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2ccsc2)CC1 ZINC000790321350 629232377 /nfs/dbraw/zinc/23/23/77/629232377.db2.gz OZHUGUXEXDCDNY-UHFFFAOYSA-N 0 3 281.450 2.685 20 30 CFEDHN C=CCN(CCOC)c1ccnc2cc(OC)ccc21 ZINC000790805703 629264600 /nfs/dbraw/zinc/26/46/00/629264600.db2.gz QCPVJQCYQVMRMC-UHFFFAOYSA-N 0 3 272.348 2.882 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1 ZINC000835061275 629364502 /nfs/dbraw/zinc/36/45/02/629364502.db2.gz YHOFWLMETRWWAR-WSNITJDQSA-N 0 3 299.374 2.643 20 30 CFEDHN CC[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000791892160 629372196 /nfs/dbraw/zinc/37/21/96/629372196.db2.gz XQRYXCYRCNLQMA-DZGCQCFKSA-N 0 3 286.375 2.790 20 30 CFEDHN CC[C@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000791892163 629372366 /nfs/dbraw/zinc/37/23/66/629372366.db2.gz XQRYXCYRCNLQMA-ZFWWWQNUSA-N 0 3 286.375 2.790 20 30 CFEDHN C=CCN(Cc1cccc2nsnc21)[C@@H](C)COC ZINC000852358617 634732392 /nfs/dbraw/zinc/73/23/92/634732392.db2.gz VZMKUIIUYLZWKX-NSHDSACASA-N 0 3 277.393 2.714 20 30 CFEDHN C#C[C@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000852392493 634737103 /nfs/dbraw/zinc/73/71/03/634737103.db2.gz MKJWTWNLLKGPIU-HOTGVXAUSA-N 0 3 299.418 2.533 20 30 CFEDHN C#CCN(CC)Cc1cccc(I)c1 ZINC000793585528 629575128 /nfs/dbraw/zinc/57/51/28/629575128.db2.gz VRHGDNXJHGETNM-UHFFFAOYSA-N 0 3 299.155 2.746 20 30 CFEDHN CCC(CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835341551 629642627 /nfs/dbraw/zinc/64/26/27/629642627.db2.gz VZMOAPJMWVAWLJ-HNNXBMFYSA-N 0 3 286.375 2.790 20 30 CFEDHN COCCCNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000794542325 629658030 /nfs/dbraw/zinc/65/80/30/629658030.db2.gz DABMXTYTSIRVLN-XKASQZEKSA-N 0 3 287.407 2.910 20 30 CFEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(C)c1 ZINC000794921842 629704780 /nfs/dbraw/zinc/70/47/80/629704780.db2.gz DTSSSQRRNZKDKJ-HOTGVXAUSA-N 0 3 284.407 2.969 20 30 CFEDHN COc1cccc([C@]2(C)CCN(CCO[C@@H](C)C#N)C2)c1 ZINC000852535456 634773385 /nfs/dbraw/zinc/77/33/85/634773385.db2.gz DNWPBODKJAHMRZ-WMLDXEAASA-N 0 3 288.391 2.587 20 30 CFEDHN C#CCN(CCCSCCOC)Cc1ccccc1 ZINC000796631932 629943010 /nfs/dbraw/zinc/94/30/10/629943010.db2.gz KKRGSNQSENFILB-UHFFFAOYSA-N 0 3 277.433 2.892 20 30 CFEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000796780489 629965456 /nfs/dbraw/zinc/96/54/56/629965456.db2.gz TVZACNHCUCJQON-HIFRSBDPSA-N 0 3 286.375 2.838 20 30 CFEDHN CN(C)c1ccc(N2CCC(NCC3(C#N)CC3)CC2)cc1 ZINC000797605331 630088999 /nfs/dbraw/zinc/08/89/99/630088999.db2.gz NJLCLYQIHFPGJM-UHFFFAOYSA-N 0 3 298.434 2.615 20 30 CFEDHN C#Cc1cncc(C(=O)Nc2ccc(C)cc2CN(C)C)c1 ZINC000798170234 630159136 /nfs/dbraw/zinc/15/91/36/630159136.db2.gz MMWQVURLSMWJOW-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@@H](c2ccccn2)C1 ZINC000799196325 630287969 /nfs/dbraw/zinc/28/79/69/630287969.db2.gz MUJUOCASZNFZSG-MRXNPFEDSA-N 0 3 293.370 2.822 20 30 CFEDHN CC1(C)CCc2ccccc2[C@H](NCC(=O)NCCC#N)C1 ZINC000799339051 630301212 /nfs/dbraw/zinc/30/12/12/630301212.db2.gz IETAOSBONSCAAX-MRXNPFEDSA-N 0 3 299.418 2.710 20 30 CFEDHN C#CCNC(=O)CN(C(C)C)[C@@H](CC)c1ccccc1 ZINC000852693795 634809018 /nfs/dbraw/zinc/80/90/18/634809018.db2.gz LMDDKHUMVDFYEA-INIZCTEOSA-N 0 3 272.392 2.598 20 30 CFEDHN C#CCCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000800501163 630393339 /nfs/dbraw/zinc/39/33/39/630393339.db2.gz YPNRXJGTDWUUTL-HNNXBMFYSA-N 0 3 272.392 2.551 20 30 CFEDHN CC(C)(C)CCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000801551245 630457202 /nfs/dbraw/zinc/45/72/02/630457202.db2.gz LUVNTAMZJXDKLL-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN C#CCN(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000801588259 630460635 /nfs/dbraw/zinc/46/06/35/630460635.db2.gz JOTYAGFVQMPPRE-ZDUSSCGKSA-N 0 3 273.376 2.938 20 30 CFEDHN C=CCN1CCN(CN(CC)C2CCCCC2)C1=O ZINC000839947637 630485096 /nfs/dbraw/zinc/48/50/96/630485096.db2.gz AJKDRDCWMUJZNO-UHFFFAOYSA-N 0 3 265.401 2.522 20 30 CFEDHN C=CCN(CCO[C@H](C)C#N)Cc1ccc(OC)cc1 ZINC000801913091 630485907 /nfs/dbraw/zinc/48/59/07/630485907.db2.gz PGMPQHLQEXLSNZ-CQSZACIVSA-N 0 3 274.364 2.612 20 30 CFEDHN CC[C@@H]1c2ccsc2CCN1CCO[C@H](C)C#N ZINC000801915540 630486697 /nfs/dbraw/zinc/48/66/97/630486697.db2.gz RRBYLNLZWOMVRV-DGCLKSJQSA-N 0 3 264.394 2.986 20 30 CFEDHN C#CCCN(CCOC)CCC(=O)c1ccc(C)cc1 ZINC000852748881 634823365 /nfs/dbraw/zinc/82/33/65/634823365.db2.gz JTJJUIRJZDOHAR-UHFFFAOYSA-N 0 3 273.376 2.540 20 30 CFEDHN C[C@@]1(C#N)CC[C@H](OC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000836156343 630755775 /nfs/dbraw/zinc/75/57/75/630755775.db2.gz XYYMHFOMFBILMB-WOVMCDHWSA-N 0 3 290.407 2.876 20 30 CFEDHN C#C[C@H](NC(=O)CN(C)CCCCCC)C(C)(C)C ZINC000807877979 630916681 /nfs/dbraw/zinc/91/66/81/630916681.db2.gz CKYFSJQOGHUMFR-AWEZNQCLSA-N 0 3 266.429 2.663 20 30 CFEDHN C[C@@H]1CC(=NNC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000807981087 630929516 /nfs/dbraw/zinc/92/95/16/630929516.db2.gz CCXKRTIEZAVWEH-UGFHNGPFSA-N 0 3 282.391 2.758 20 30 CFEDHN C[C@@H]1CC(=NNC2=N[C@@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000807981083 630929666 /nfs/dbraw/zinc/92/96/66/630929666.db2.gz CCXKRTIEZAVWEH-DFBGVHRSSA-N 0 3 282.391 2.758 20 30 CFEDHN C(=NNCC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000808007185 630940743 /nfs/dbraw/zinc/94/07/43/630940743.db2.gz UDMDEDWAGHWHJE-UHFFFAOYSA-N 0 3 287.407 2.637 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000855360189 635517198 /nfs/dbraw/zinc/51/71/98/635517198.db2.gz IVUWDJWVCGGZDH-LSDHHAIUSA-N 0 3 297.443 2.510 20 30 CFEDHN CC(C)(C)C#CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000837417590 631024383 /nfs/dbraw/zinc/02/43/83/631024383.db2.gz AADPOJIULDGQFT-KRWDZBQOSA-N 0 3 298.430 2.817 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC000837531945 631057239 /nfs/dbraw/zinc/05/72/39/631057239.db2.gz JPFBDJQIGLVVEZ-RDJZCZTQSA-N 0 3 298.430 2.673 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)OCCN(C)Cc1ccccc1 ZINC000837702596 631111939 /nfs/dbraw/zinc/11/19/39/631111939.db2.gz ZUXYBPMJXPIETB-UHFFFAOYSA-N 0 3 298.342 2.749 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)C#CC(C)(C)C)c(F)c1 ZINC000840506230 631160898 /nfs/dbraw/zinc/16/08/98/631160898.db2.gz FACXUCKJIGZVKI-UHFFFAOYSA-N 0 3 276.355 2.875 20 30 CFEDHN C#C[C@H](C)NCc1cccc(OCc2ccccn2)c1 ZINC000809683339 631260708 /nfs/dbraw/zinc/26/07/08/631260708.db2.gz ZSJSBXPSEIYNNF-AWEZNQCLSA-N 0 3 266.344 2.772 20 30 CFEDHN C#C[C@H](NCc1cnc2c(C)cccn12)C(C)(C)C ZINC000809781889 631288399 /nfs/dbraw/zinc/28/83/99/631288399.db2.gz CRUCWECPNXOBNC-AWEZNQCLSA-N 0 3 255.365 2.780 20 30 CFEDHN CC(NNc1cc(Cl)nc(C)n1)=C1CC1(F)F ZINC000841626105 631435900 /nfs/dbraw/zinc/43/59/00/631435900.db2.gz NUHDQBRGGYLZNB-ZETCQYMHSA-N 0 3 260.675 2.881 20 30 CFEDHN C[C@H](c1ccccn1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153721 631554531 /nfs/dbraw/zinc/55/45/31/631554531.db2.gz OUACXFFVNOOCPQ-DYVFJYSZSA-N 0 3 281.359 2.680 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811466114 631566004 /nfs/dbraw/zinc/56/60/04/631566004.db2.gz RXFNOSRDGQKCMY-CZUORRHYSA-N 0 3 282.403 2.766 20 30 CFEDHN CN(CC(C)(C)CCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000811515422 631575549 /nfs/dbraw/zinc/57/55/49/631575549.db2.gz SYVONHIEZSBFMY-UHFFFAOYSA-N 0 3 295.427 2.867 20 30 CFEDHN C#C[C@@H](C)OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842311619 631586961 /nfs/dbraw/zinc/58/69/61/631586961.db2.gz VFQWOSZYALPESV-CQSZACIVSA-N 0 3 271.360 2.851 20 30 CFEDHN CCN(CCO)N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000842535256 631655190 /nfs/dbraw/zinc/65/51/90/631655190.db2.gz HFRVKZXHFNMPCH-KRHMZKEVSA-N 0 3 287.407 2.598 20 30 CFEDHN CC(=NN(C)[C@@H](C)CO)c1ccc(N2CCCCC2)cc1 ZINC000842545279 631661223 /nfs/dbraw/zinc/66/12/23/631661223.db2.gz SAEHJCIHQKSPBI-AWEZNQCLSA-N 0 3 289.423 2.714 20 30 CFEDHN C#CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000155823913 650033345 /nfs/dbraw/zinc/03/33/45/650033345.db2.gz YKXSLZZGMXGOBR-UHFFFAOYSA-N 0 3 288.347 2.981 20 30 CFEDHN C#C[C@@H](NCc1cnn(-c2ccccc2C)c1)C(C)C ZINC000843408563 631946171 /nfs/dbraw/zinc/94/61/71/631946171.db2.gz HIOWLKOVLIBQHW-MRXNPFEDSA-N 0 3 267.376 2.928 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000843422045 631951347 /nfs/dbraw/zinc/95/13/47/631951347.db2.gz BKETVKYQAPDBJD-ZDUSSCGKSA-N 0 3 289.375 2.645 20 30 CFEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(C)cs1 ZINC000156247296 650049474 /nfs/dbraw/zinc/04/94/74/650049474.db2.gz LYMIKFPOLRGTDC-IUCAKERBSA-N 0 3 254.380 2.769 20 30 CFEDHN CC#CC(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000844041475 632101685 /nfs/dbraw/zinc/10/16/85/632101685.db2.gz SJSQBVCEKOTKOJ-KRWDZBQOSA-N 0 3 284.403 2.521 20 30 CFEDHN CC(C)OCCNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814896740 632153276 /nfs/dbraw/zinc/15/32/76/632153276.db2.gz GMHMTTOEBQQQSA-LBPRGKRZSA-N 0 3 273.380 2.708 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000844356407 632178487 /nfs/dbraw/zinc/17/84/87/632178487.db2.gz IDULMUHGGURQKK-BBRMVZONSA-N 0 3 276.355 2.718 20 30 CFEDHN C#CCSCCNCc1conc1Cc1ccccc1 ZINC000815125200 632208362 /nfs/dbraw/zinc/20/83/62/632208362.db2.gz ARXDXIFSBSDMFC-UHFFFAOYSA-N 0 3 286.400 2.721 20 30 CFEDHN C=CCC(C)(C)CNCc1cn(-c2ccccc2)nn1 ZINC000815142476 632214492 /nfs/dbraw/zinc/21/44/92/632214492.db2.gz TVLLMDXXDJRKSN-UHFFFAOYSA-N 0 3 270.380 2.959 20 30 CFEDHN C=CCC(F)(F)C(=O)N(CCN(C)C)C1CCCC1 ZINC000815592097 632293441 /nfs/dbraw/zinc/29/34/41/632293441.db2.gz YWLNENLWZPRBIB-UHFFFAOYSA-N 0 3 274.355 2.531 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815651924 632305693 /nfs/dbraw/zinc/30/56/93/632305693.db2.gz JASFIEPUMRQHSY-GXTWGEPZSA-N 0 3 290.382 2.624 20 30 CFEDHN C#CCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000844963223 632346962 /nfs/dbraw/zinc/34/69/62/632346962.db2.gz IAFOUWMPRAKAPP-GOSISDBHSA-N 0 3 284.403 2.571 20 30 CFEDHN C=C[C@H](C)ONC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000845615689 632485585 /nfs/dbraw/zinc/48/55/85/632485585.db2.gz BPBCUALAXISNCY-FRRDWIJNSA-N 0 3 295.383 2.514 20 30 CFEDHN C[C@@H]1[C@@H](C)CN1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000816648762 632503156 /nfs/dbraw/zinc/50/31/56/632503156.db2.gz ORRGPUWNFOZJNL-UONOGXRCSA-N 0 3 295.390 2.699 20 30 CFEDHN CC(C)(C)N1CC[C@H]1COC(=O)c1cccc(CC#N)c1 ZINC000845735426 632541824 /nfs/dbraw/zinc/54/18/24/632541824.db2.gz MSRDBLZNONVKKN-HNNXBMFYSA-N 0 3 286.375 2.782 20 30 CFEDHN C#CCCN1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000817298628 632599127 /nfs/dbraw/zinc/59/91/27/632599127.db2.gz NIIWCXYEUZBQDB-UHFFFAOYSA-N 0 3 259.349 2.692 20 30 CFEDHN CC[C@H](CC#N)NC1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845959381 632605302 /nfs/dbraw/zinc/60/53/02/632605302.db2.gz WKANFWAXVPMUAE-ROKHWSDSSA-N 0 3 295.427 2.962 20 30 CFEDHN C[C@H](NCc1ccc(C#N)o1)[C@](C)(O)c1ccccc1 ZINC000846034656 632619190 /nfs/dbraw/zinc/61/91/90/632619190.db2.gz BEMMQTSZKZXXMK-LRDDRELGSA-N 0 3 270.332 2.537 20 30 CFEDHN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000846550748 632738762 /nfs/dbraw/zinc/73/87/62/632738762.db2.gz OZLBMFVIGNZKDC-GDBMZVCRSA-N 0 3 288.391 2.521 20 30 CFEDHN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000846550748 632738764 /nfs/dbraw/zinc/73/87/64/632738764.db2.gz OZLBMFVIGNZKDC-GDBMZVCRSA-N 0 3 288.391 2.521 20 30 CFEDHN C=CCC1(C(=O)[N-]OC2CC[NH+](C)CC2)CCCCC1 ZINC000846651384 632765560 /nfs/dbraw/zinc/76/55/60/632765560.db2.gz MLKGIGKIEXKBDK-UHFFFAOYSA-N 0 3 280.412 2.655 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](C)CCC(C)(C)C ZINC000818593199 632874808 /nfs/dbraw/zinc/87/48/08/632874808.db2.gz PAFUQHLZHCOYDY-CQSZACIVSA-N 0 3 266.429 2.520 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](CC)CC1CCCC1 ZINC000818615713 632880277 /nfs/dbraw/zinc/88/02/77/632880277.db2.gz USMWDFFDQUCXBI-MRXNPFEDSA-N 0 3 278.440 2.664 20 30 CFEDHN C#C[C@@H]1CCCN(CCC(=O)c2ccc(OC)cc2)C1 ZINC000847020131 632883427 /nfs/dbraw/zinc/88/34/27/632883427.db2.gz WDEGOHHWBHYJAN-CQSZACIVSA-N 0 3 271.360 2.613 20 30 CFEDHN CCCCCCCCCN1CCN(c2nncn2C)CC1 ZINC000847034266 632897647 /nfs/dbraw/zinc/89/76/47/632897647.db2.gz AGGPTPUEZODAOQ-UHFFFAOYSA-N 0 3 293.459 2.688 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000819140189 632981985 /nfs/dbraw/zinc/98/19/85/632981985.db2.gz QHIQTMDEOVWYHO-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1ccc2c(c1)[C@@H](NC[C@H](O)c1ccc(C#N)cc1)CO2 ZINC000819165320 632993582 /nfs/dbraw/zinc/99/35/82/632993582.db2.gz UFMYLFCPBWHLTD-IRXDYDNUSA-N 0 3 294.354 2.623 20 30 CFEDHN Cc1ccc2c(c1)[C@H](NC[C@@H](O)c1ccc(C#N)cc1)CO2 ZINC000819165319 632994354 /nfs/dbraw/zinc/99/43/54/632994354.db2.gz UFMYLFCPBWHLTD-IAGOWNOFSA-N 0 3 294.354 2.623 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)CC12CCC2 ZINC000819325802 633080826 /nfs/dbraw/zinc/08/08/26/633080826.db2.gz HOXOBOFVPPZWCR-ZDUSSCGKSA-N 0 3 293.411 2.812 20 30 CFEDHN C#CCCC[C@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000847866315 633116637 /nfs/dbraw/zinc/11/66/37/633116637.db2.gz MGRALPZPWUWNAQ-ZDUSSCGKSA-N 0 3 263.381 2.596 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NC1(Cc2ccccc2)CCC1 ZINC000848403688 633249387 /nfs/dbraw/zinc/24/93/87/633249387.db2.gz YGFHLPFFWXSMMU-MRXNPFEDSA-N 0 3 299.418 2.679 20 30 CFEDHN C1CC[C@H](ON=C2CCCN3CCCC[C@H]23)OC1 ZINC000848407705 633251002 /nfs/dbraw/zinc/25/10/02/633251002.db2.gz SBDUQFFVZIOKGJ-KGLIPLIRSA-N 0 3 252.358 2.534 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000848915165 633399526 /nfs/dbraw/zinc/39/95/26/633399526.db2.gz ZTUDBMDLOICSPZ-UHFFFAOYSA-N 0 3 270.376 2.710 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000848924704 633407083 /nfs/dbraw/zinc/40/70/83/633407083.db2.gz YIQOYULQIMMZDP-ZDUSSCGKSA-N 0 3 258.321 2.748 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nn(CC)nc1C ZINC000850343006 633946869 /nfs/dbraw/zinc/94/68/69/633946869.db2.gz XRBCLOPACCQHTL-KGLIPLIRSA-N 0 3 262.401 2.831 20 30 CFEDHN C=CCCSCC[NH2+]Cc1c([O-])cccc1OC ZINC000850354756 633951982 /nfs/dbraw/zinc/95/19/82/633951982.db2.gz YHXDBNDNCKJSSH-UHFFFAOYSA-N 0 3 267.394 2.800 20 30 CFEDHN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc(OCC#N)cc1 ZINC000850443374 633995427 /nfs/dbraw/zinc/99/54/27/633995427.db2.gz QNKPOIFTQCPFRT-XJKSGUPXSA-N 0 3 296.374 2.971 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCCF)c1ccccc1 ZINC000850978488 634163112 /nfs/dbraw/zinc/16/31/12/634163112.db2.gz TVRLVPKNWBDGGS-KGLIPLIRSA-N 0 3 290.338 2.712 20 30 CFEDHN C[C@H]1CC(N=Nc2ccnc(Cl)c2)CN1C1CC1 ZINC000853395358 634992276 /nfs/dbraw/zinc/99/22/76/634992276.db2.gz UNZWFZOUPYNTCH-VIFPVBQESA-N 0 3 264.760 2.760 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(Cl)cn2)[C@@H](C)C1 ZINC000853437211 634999055 /nfs/dbraw/zinc/99/90/55/634999055.db2.gz GADBBPYGQKTYIE-JTQLQIEISA-N 0 3 266.776 2.863 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C(=O)CC23CCCC3)C1 ZINC000853537464 635031845 /nfs/dbraw/zinc/03/18/45/635031845.db2.gz YMBXQOKRVOCSQC-AWEZNQCLSA-N 0 3 262.397 2.777 20 30 CFEDHN CCN1CCCN(c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000853686966 635075012 /nfs/dbraw/zinc/07/50/12/635075012.db2.gz ONEPFLAYECQHDD-SECBINFHSA-N 0 3 284.816 2.589 20 30 CFEDHN CCc1ccc(C#CC(=O)NC[C@H]2CCN2C(C)(C)C)cc1 ZINC000855162981 635473908 /nfs/dbraw/zinc/47/39/08/635473908.db2.gz QLYAMOKKUYRSQU-QGZVFWFLSA-N 0 3 298.430 2.590 20 30 CFEDHN CCCCCCCC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000855362360 635518766 /nfs/dbraw/zinc/51/87/66/635518766.db2.gz MQGRIVNNCSJMSK-CQSZACIVSA-N 0 3 254.418 2.900 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](C)c2cccnc2)cc1 ZINC000113314276 635531877 /nfs/dbraw/zinc/53/18/77/635531877.db2.gz IIFOOSZMSIDTOY-AWEZNQCLSA-N 0 3 266.344 2.944 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N1C[C@@H](C)N[C@@H](CC)C1 ZINC000856408907 635807056 /nfs/dbraw/zinc/80/70/56/635807056.db2.gz XFRXFRSKGARLDX-ILXRZTDVSA-N 0 3 297.443 2.557 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CC1(Cl)Cl ZINC000857239062 635955772 /nfs/dbraw/zinc/95/57/72/635955772.db2.gz NBTBLLRNNARYPG-NXEZZACHSA-N 0 3 260.168 2.603 20 30 CFEDHN C=CC(C)(C)CCNCc1ncc(C2OCCO2)s1 ZINC000858205588 636155292 /nfs/dbraw/zinc/15/52/92/636155292.db2.gz FLQBNFBRUFSYJY-UHFFFAOYSA-N 0 3 282.409 2.880 20 30 CFEDHN C#CC[C@@H](COC)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000858334175 636194013 /nfs/dbraw/zinc/19/40/13/636194013.db2.gz IKDPDBNUDJBGLK-KRWDZBQOSA-N 0 3 297.402 2.617 20 30 CFEDHN C#CC[C@@H](COC)NCc1cnc(-c2cccs2)s1 ZINC000858334638 636195606 /nfs/dbraw/zinc/19/56/06/636195606.db2.gz DFDKAKUXMIKXFU-NSHDSACASA-N 0 3 292.429 3.000 20 30 CFEDHN CC[C@H](C#N)Oc1cccc(CNc2ccnc(CO)c2)c1 ZINC000858412327 636225985 /nfs/dbraw/zinc/22/59/85/636225985.db2.gz VWNLTBJGTBTXRI-MRXNPFEDSA-N 0 3 297.358 2.867 20 30 CFEDHN COC(=O)C1=CC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000858475362 636262168 /nfs/dbraw/zinc/26/21/68/636262168.db2.gz YNFNJRQJYPXVKF-QMTHXVAHSA-N 0 3 288.322 2.610 20 30 CFEDHN C#CC[C@@H](CCOC)Nc1ccnc2ccc(C)cc21 ZINC000858855682 636358512 /nfs/dbraw/zinc/35/85/12/636358512.db2.gz DOBIWWJCVANRBN-AWEZNQCLSA-N 0 3 268.360 2.805 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccns1 ZINC000860051641 636768911 /nfs/dbraw/zinc/76/89/11/636768911.db2.gz QMILMXPWOPZEEQ-NSHDSACASA-N 0 3 273.361 2.744 20 30 CFEDHN COc1ccc([C@@H]2CCN(CCO[C@H](C)C#N)C2)cc1F ZINC000860104233 636788751 /nfs/dbraw/zinc/78/87/51/636788751.db2.gz KTVWZIXPWMVWFG-TZMCWYRMSA-N 0 3 292.354 2.552 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860463571 636890784 /nfs/dbraw/zinc/89/07/84/636890784.db2.gz DSGXOVXVXPKDMX-QWHCGFSZSA-N 0 3 290.363 2.788 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000860483167 636894604 /nfs/dbraw/zinc/89/46/04/636894604.db2.gz PXIRHBGBAQCVON-VXGBXAGGSA-N 0 3 297.314 2.516 20 30 CFEDHN CCC(C#N)(CC)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000860852010 636990563 /nfs/dbraw/zinc/99/05/63/636990563.db2.gz MDFYIVZOZKCAIJ-GFCCVEGCSA-N 0 3 266.385 2.732 20 30 CFEDHN C#CCCCCCC(=O)N(CC)C1CCN(C)CC1 ZINC000861892321 637252410 /nfs/dbraw/zinc/25/24/10/637252410.db2.gz FYTBRHJQXNHQFM-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN C#CC[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000862563080 637430285 /nfs/dbraw/zinc/43/02/85/637430285.db2.gz IMOCIIHXGLFDSI-FUHWJXTLSA-N 0 3 296.414 2.523 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)CC)cc2)CC1 ZINC000862774330 637488066 /nfs/dbraw/zinc/48/80/66/637488066.db2.gz YSOXUGYKZFMYLX-UHFFFAOYSA-N 0 3 298.386 2.563 20 30 CFEDHN S=c1[n-]c2ccccc2nc1N=NC1CC[N@@H+]2CCC[C@H]12 ZINC000863129463 637566841 /nfs/dbraw/zinc/56/68/41/637566841.db2.gz VIHTUNGECFESBY-CYBMUJFWSA-N 0 3 299.403 2.928 20 30 CFEDHN S=c1[n-]c2ccccc2nc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000863129463 637566844 /nfs/dbraw/zinc/56/68/44/637566844.db2.gz VIHTUNGECFESBY-CYBMUJFWSA-N 0 3 299.403 2.928 20 30 CFEDHN COc1cccc2c1CCC2=NNc1ccnc(C)c1 ZINC000863159190 637572863 /nfs/dbraw/zinc/57/28/63/637572863.db2.gz GWKIVXMJTXSPMJ-UHFFFAOYSA-N 0 3 267.332 2.583 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1nc2c(s1)CCCC2 ZINC000863159123 637573380 /nfs/dbraw/zinc/57/33/80/637573380.db2.gz DWOKNZZRYYYXCY-UHFFFAOYSA-N 0 3 286.404 2.983 20 30 CFEDHN COc1ccc2c(c1)C(=NNc1ccnc(C)c1)CC2 ZINC000863159537 637573725 /nfs/dbraw/zinc/57/37/25/637573725.db2.gz VWWBKHGKZFVPIW-UHFFFAOYSA-N 0 3 267.332 2.583 20 30 CFEDHN CCc1cnccc1C(C)=NNc1ccnc(C)c1 ZINC000863159288 637574272 /nfs/dbraw/zinc/57/42/72/637574272.db2.gz KHMSFFAGWSAFHV-UHFFFAOYSA-N 0 3 254.337 2.605 20 30 CFEDHN Cc1cc(NN=C2c3ccccc3C[C@@H]2C)ccn1 ZINC000863159514 637574682 /nfs/dbraw/zinc/57/46/82/637574682.db2.gz VDMQXYFPWCQNAB-NSHDSACASA-N 0 3 251.333 2.820 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(F)c(Cl)c2)CN1C ZINC000863179028 637579567 /nfs/dbraw/zinc/57/95/67/637579567.db2.gz NVYAWBSABPMWDD-QMMMGPOBSA-N 0 3 255.724 2.971 20 30 CFEDHN N#CC(C(=O)CC1CCC1)c1nc2ccccc2[nH]1 ZINC000076764694 650401818 /nfs/dbraw/zinc/40/18/18/650401818.db2.gz IAOWHXKTVGWQFA-LLVKDONJSA-N 0 3 253.305 2.929 20 30 CFEDHN N#CC(C(=O)CC1CCC1)c1nc2ccccc2[nH]1 ZINC000076764690 650401874 /nfs/dbraw/zinc/40/18/74/650401874.db2.gz IAOWHXKTVGWQFA-NSHDSACASA-N 0 3 253.305 2.929 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCCOC(C)(C)C ZINC000865438027 638330194 /nfs/dbraw/zinc/33/01/94/638330194.db2.gz XTXOEBKVDOEMJF-UHFFFAOYSA-N 0 3 275.396 2.529 20 30 CFEDHN C=CCSCCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865449578 638343247 /nfs/dbraw/zinc/34/32/47/638343247.db2.gz AURHUQOPMFFIOT-UHFFFAOYSA-N 0 3 264.350 2.542 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(F)c1OC(F)(F)F ZINC000865528223 638398873 /nfs/dbraw/zinc/39/88/73/638398873.db2.gz WJJBICKXMSIEHW-SNVBAGLBSA-N 0 3 293.260 2.751 20 30 CFEDHN C=C(C)CCNCc1cc(Br)cnc1OC ZINC000865587005 638441565 /nfs/dbraw/zinc/44/15/65/638441565.db2.gz JWNBOBXNNMLQAI-UHFFFAOYSA-N 0 3 285.185 2.909 20 30 CFEDHN C#CC[C@H](COC)NCc1cccc(Cl)c1C ZINC000865645955 638485602 /nfs/dbraw/zinc/48/56/02/638485602.db2.gz DDIYPGMFFJFYKZ-CYBMUJFWSA-N 0 3 251.757 2.776 20 30 CFEDHN C=C(Br)CN[C@](C)(CO)C1CCCCC1 ZINC000077656024 650439094 /nfs/dbraw/zinc/43/90/94/650439094.db2.gz VUYNLEHHAJQGQQ-GFCCVEGCSA-N 0 3 276.218 2.816 20 30 CFEDHN C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(C#N)c1[O-] ZINC000866239192 638777343 /nfs/dbraw/zinc/77/73/43/638777343.db2.gz ROAHODXIMHBXFE-UONOGXRCSA-N 0 3 287.407 2.646 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1cc(C(=O)OCC)no1 ZINC000866514828 638834121 /nfs/dbraw/zinc/83/41/21/638834121.db2.gz SXHCFCVBODOJAR-WDEREUQCSA-N 0 3 266.341 2.542 20 30 CFEDHN C[C@@H]1C[C@@H](N[C@@H]2Cc3ccc(C#N)cc3C2)c2nccn21 ZINC000866616256 638855324 /nfs/dbraw/zinc/85/53/24/638855324.db2.gz MSGLYMVYULJKGO-HFBAOOFYSA-N 0 3 278.359 2.518 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CC/C=C/c1ccccc1 ZINC000121769081 638893696 /nfs/dbraw/zinc/89/36/96/638893696.db2.gz VDKFPAIAWAHEJQ-WCLQSUPFSA-N 0 3 284.359 2.713 20 30 CFEDHN CC1(C)[C@H](N)c2ccccc2N1C(=O)c1coc(C#N)c1 ZINC000867988190 638911469 /nfs/dbraw/zinc/91/14/69/638911469.db2.gz WEXJQXJDVWVJLT-CQSZACIVSA-N 0 3 281.315 2.590 20 30 CFEDHN C#CCCOc1ccc(CN(CC=C)CCOC)cc1 ZINC000191762908 650521109 /nfs/dbraw/zinc/52/11/09/650521109.db2.gz MYXNHOJENOAWOF-UHFFFAOYSA-N 0 3 273.376 2.723 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)c2ccco2)cc1 ZINC000078878688 650540242 /nfs/dbraw/zinc/54/02/42/650540242.db2.gz XJJGAMJRPPMICD-OAHLLOKOSA-N 0 3 273.332 2.668 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871157099 641221261 /nfs/dbraw/zinc/22/12/61/641221261.db2.gz HDLVDJYHAYLEIR-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCCCN(CCS(C)(=O)=O)C(C)(C)C ZINC000193411383 650650889 /nfs/dbraw/zinc/65/08/89/650650889.db2.gz LEPKJTAWNWZRFG-UHFFFAOYSA-N 0 3 275.458 2.878 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000123747477 641407410 /nfs/dbraw/zinc/40/74/10/641407410.db2.gz ZOWFZOHPCKHMST-DOMZBBRYSA-N 0 3 284.359 2.558 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccccc1 ZINC000123746817 641407894 /nfs/dbraw/zinc/40/78/94/641407894.db2.gz ZOWFZOHPCKHMST-SWLSCSKDSA-N 0 3 284.359 2.558 20 30 CFEDHN CC[C@@H](NCCCC#N)C(=O)N(C)c1ccc(C)cc1 ZINC000871881054 641497250 /nfs/dbraw/zinc/49/72/50/641497250.db2.gz FUPRKYDJVOKTME-OAHLLOKOSA-N 0 3 273.380 2.630 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cc(O)ccc1F ZINC000872049387 641583407 /nfs/dbraw/zinc/58/34/07/641583407.db2.gz RTKVSRAXMIVJPK-JTQLQIEISA-N 0 3 253.342 2.548 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cc(O)ccc1F ZINC000872086261 641620759 /nfs/dbraw/zinc/62/07/59/641620759.db2.gz SZLNZKFOSMYVCB-NSHDSACASA-N 0 3 253.317 2.775 20 30 CFEDHN C#C[C@H]1CC[C@H]([NH2+][C@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000872140239 641668340 /nfs/dbraw/zinc/66/83/40/641668340.db2.gz ZZYMOPVGOIGQOE-BPUTZDHNSA-N 0 3 280.375 2.676 20 30 CFEDHN Cc1ncc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000872220820 641707413 /nfs/dbraw/zinc/70/74/13/641707413.db2.gz NCVQWADKRKVKFH-IINYFYTJSA-N 0 3 287.388 2.707 20 30 CFEDHN C[C@@H]1C(N=Nc2cccc3ncccc23)CCN1C ZINC000872341657 641759023 /nfs/dbraw/zinc/75/90/23/641759023.db2.gz GMEZFNGTRRSEKE-LLVKDONJSA-N 0 3 254.337 2.727 20 30 CFEDHN Cc1c(Cl)cnc(N2CC[C@@H]3[C@H]2CCCN3C)c1C#N ZINC000872779068 641933987 /nfs/dbraw/zinc/93/39/87/641933987.db2.gz DQMCVJQENNIQON-ZIAGYGMSSA-N 0 3 290.798 2.588 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC[C@@H]2C=CCC2)CC1 ZINC000872903072 641960036 /nfs/dbraw/zinc/96/00/36/641960036.db2.gz SRMDWZVTOIBYCO-OAHLLOKOSA-N 0 3 291.439 2.682 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cccc1OCC ZINC000873131996 642023796 /nfs/dbraw/zinc/02/37/96/642023796.db2.gz BZKPTWUPBPYOQR-WFASDCNBSA-N 0 3 279.355 2.905 20 30 CFEDHN C=CCCn1cc(CNCCC[C@H]2C=CCC2)nn1 ZINC000873154187 642035950 /nfs/dbraw/zinc/03/59/50/642035950.db2.gz RASWVIHRVIZSEJ-AWEZNQCLSA-N 0 3 260.385 2.690 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2cc(C#N)cs2)C1 ZINC000873182343 642053155 /nfs/dbraw/zinc/05/31/55/642053155.db2.gz MHLIRXIWJFYRID-HAQNSBGRSA-N 0 3 292.404 2.830 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CCCCC1 ZINC000874830787 642513345 /nfs/dbraw/zinc/51/33/45/642513345.db2.gz UENBOGJHJWBDLU-HOTGVXAUSA-N 0 3 288.435 2.655 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000876321346 642823246 /nfs/dbraw/zinc/82/32/46/642823246.db2.gz MNNNPBZIINSZJD-HNNXBMFYSA-N 0 3 291.439 2.635 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCCCCC ZINC000876549012 642917720 /nfs/dbraw/zinc/91/77/20/642917720.db2.gz YEAXAKZRSRMSBL-NEPJUHHUSA-N 0 3 260.809 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccccc1Cl ZINC000876555204 642919513 /nfs/dbraw/zinc/91/95/13/642919513.db2.gz PWALRSAFIIYCLB-GFCCVEGCSA-N 0 3 287.190 2.768 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000876555601 642920607 /nfs/dbraw/zinc/92/06/07/642920607.db2.gz AXCOWOIFRLRGNC-GFCCVEGCSA-N 0 3 287.190 2.768 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCSc2ccccc21 ZINC000876557987 642921081 /nfs/dbraw/zinc/92/10/81/642921081.db2.gz NJYYOIRWKNCQPT-NEPJUHHUSA-N 0 3 296.823 2.810 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@H](N)CC(=C)Cl ZINC000876561845 642924018 /nfs/dbraw/zinc/92/40/18/642924018.db2.gz MCTCJXZFNRKEHN-GFCCVEGCSA-N 0 3 284.812 2.733 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(SC)cc1 ZINC000876567258 642927241 /nfs/dbraw/zinc/92/72/41/642927241.db2.gz GUCHBTVVCJJIDC-NSHDSACASA-N 0 3 270.785 2.817 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000876570675 642928454 /nfs/dbraw/zinc/92/84/54/642928454.db2.gz LCZZQAGPAMHQMS-KGLIPLIRSA-N 0 3 278.783 2.820 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN(C)[C@@H]1CCSC1 ZINC000876572986 642929553 /nfs/dbraw/zinc/92/95/53/642929553.db2.gz LZMDYTILWLBFPO-CQSZACIVSA-N 0 3 275.421 2.562 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1OC(C)C ZINC000876578602 642931970 /nfs/dbraw/zinc/93/19/70/642931970.db2.gz ULHBLTWNWHCTJZ-CYBMUJFWSA-N 0 3 296.798 2.560 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1OCC ZINC000876595404 642938917 /nfs/dbraw/zinc/93/89/17/642938917.db2.gz GMHREWLXEMVZMG-NSHDSACASA-N 0 3 282.771 2.802 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1cccc(OC)c1 ZINC000876600965 642941158 /nfs/dbraw/zinc/94/11/58/642941158.db2.gz NOQWAECUONUAMG-CYBMUJFWSA-N 0 3 282.771 2.518 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCCCc1ccccc1 ZINC000876604816 642942110 /nfs/dbraw/zinc/94/21/10/642942110.db2.gz FSZGWULXHSYJGW-OAHLLOKOSA-N 0 3 294.826 2.938 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccccc1C ZINC000876607896 642942554 /nfs/dbraw/zinc/94/25/54/642942554.db2.gz UBIPWJWFEADVDH-TZMCWYRMSA-N 0 3 280.799 2.512 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000876616466 642946055 /nfs/dbraw/zinc/94/60/55/642946055.db2.gz ODTSOHAKQSRDTQ-CHWSQXEVSA-N 0 3 299.201 2.913 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000876617078 642947387 /nfs/dbraw/zinc/94/73/87/642947387.db2.gz ZFUOBZGPGWROFC-UONOGXRCSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1 ZINC000876618938 642948137 /nfs/dbraw/zinc/94/81/37/642948137.db2.gz JOJUJWYURZCYFJ-TVQRCGJNSA-N 0 3 284.762 2.515 20 30 CFEDHN C#CCN(CCC[C@H]1CCO1)Cc1ccc(F)cc1 ZINC000876643084 642955527 /nfs/dbraw/zinc/95/55/27/642955527.db2.gz SVTGBIIFKHLBNV-INIZCTEOSA-N 0 3 261.340 2.830 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000876646944 642957034 /nfs/dbraw/zinc/95/70/34/642957034.db2.gz ALAHJUHOZHKQQO-CYBMUJFWSA-N 0 3 298.789 2.689 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000876649780 642957945 /nfs/dbraw/zinc/95/79/45/642957945.db2.gz FNLAHPFQAVLCSB-UONOGXRCSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2c1cccc2C ZINC000876648958 642958258 /nfs/dbraw/zinc/95/82/58/642958258.db2.gz IAJXTFNGVMNJQG-KGLIPLIRSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000876663488 642962250 /nfs/dbraw/zinc/96/22/50/642962250.db2.gz WFCSADBOMRLHIV-QCZZGDTMSA-N 0 3 278.783 2.506 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1CC ZINC000876663694 642962705 /nfs/dbraw/zinc/96/27/05/642962705.db2.gz BFDRBLSUIIRBDJ-HUUCEWRRSA-N 0 3 292.810 2.992 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCCC1CCCC1 ZINC000876669420 642965336 /nfs/dbraw/zinc/96/53/36/642965336.db2.gz LWKPBQRONPDLKQ-CYBMUJFWSA-N 0 3 272.820 2.933 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000876668939 642965622 /nfs/dbraw/zinc/96/56/22/642965622.db2.gz WFSREMQZJLFXTR-DYEKYZERSA-N 0 3 280.799 2.765 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000876673359 642967445 /nfs/dbraw/zinc/96/74/45/642967445.db2.gz MUFKBKBOFDCLPN-CYBMUJFWSA-N 0 3 298.789 2.689 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000876673416 642967591 /nfs/dbraw/zinc/96/75/91/642967591.db2.gz MZOWUSLLJOPQOQ-WDEREUQCSA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000876674672 642968636 /nfs/dbraw/zinc/96/86/36/642968636.db2.gz PVRTUECLOYVRBD-WCFLWFBJSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000876688068 642973500 /nfs/dbraw/zinc/97/35/00/642973500.db2.gz PYDPEHAUUPGRKF-CFVMTHIKSA-N 0 3 292.810 2.861 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(Cc2ccccc2)CCC1 ZINC000876688757 642973887 /nfs/dbraw/zinc/97/38/87/642973887.db2.gz NFZUJLYOZBKWSR-CQSZACIVSA-N 0 3 292.810 2.738 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CC)CCCC1 ZINC000876693497 642976860 /nfs/dbraw/zinc/97/68/60/642976860.db2.gz WLHWMVXPYNTQBE-NSHDSACASA-N 0 3 258.793 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000876702803 642979937 /nfs/dbraw/zinc/97/99/37/642979937.db2.gz SINHCFVKMWICIJ-JTQLQIEISA-N 0 3 298.736 2.647 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000876880031 643047223 /nfs/dbraw/zinc/04/72/23/643047223.db2.gz YIZARXASQYNCSL-GHMZBOCLSA-N 0 3 284.812 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000876881895 643048315 /nfs/dbraw/zinc/04/83/15/643048315.db2.gz SCNZDOHJXMWJKQ-ZDUSSCGKSA-N 0 3 299.201 2.695 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(Cl)c(C)c1 ZINC000876885893 643052338 /nfs/dbraw/zinc/05/23/38/643052338.db2.gz RHOAMGPVKPWSNM-LBPRGKRZSA-N 0 3 287.190 2.735 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cc(C)ccc1F ZINC000876892456 643054971 /nfs/dbraw/zinc/05/49/71/643054971.db2.gz PDUAQASNGGHGKE-ZDUSSCGKSA-N 0 3 284.762 2.562 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000876897147 643055817 /nfs/dbraw/zinc/05/58/17/643055817.db2.gz QCLMMCJCOUHTIZ-WCFLWFBJSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000876902658 643058164 /nfs/dbraw/zinc/05/81/64/643058164.db2.gz PNNXOIMXAAJQOR-GZMMTYOYSA-N 0 3 288.725 2.612 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000876935580 643071843 /nfs/dbraw/zinc/07/18/43/643071843.db2.gz CCDSVVXNEDTMGB-KBPBESRZSA-N 0 3 284.831 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)Cc1ccc(F)cc1 ZINC000876960393 643082276 /nfs/dbraw/zinc/08/22/76/643082276.db2.gz XXIKUGKGXKUVDL-ZIAGYGMSSA-N 0 3 298.789 2.733 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000876960281 643082724 /nfs/dbraw/zinc/08/27/24/643082724.db2.gz BYJRCFHGCSXLJT-BREBYQMCSA-N 0 3 272.820 2.645 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000876966930 643085798 /nfs/dbraw/zinc/08/57/98/643085798.db2.gz ZRFVGXMZKORMSC-UONOGXRCSA-N 0 3 284.831 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1cc2cc(C)ccc2o1 ZINC000876967589 643087355 /nfs/dbraw/zinc/08/73/55/643087355.db2.gz JBAKKMLUMCQSSI-CYBMUJFWSA-N 0 3 292.766 2.827 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC000876984488 643092491 /nfs/dbraw/zinc/09/24/91/643092491.db2.gz HODNBVSMDQJOAT-TZMCWYRMSA-N 0 3 293.798 2.523 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CCCC1(C)C ZINC000876987702 643094120 /nfs/dbraw/zinc/09/41/20/643094120.db2.gz GFRJKTPUDDIOJG-NEPJUHHUSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(CC)(C1CC1)C1CC1 ZINC000877005035 643101553 /nfs/dbraw/zinc/10/15/53/643101553.db2.gz WSFGYPRIPCASQC-GFCCVEGCSA-N 0 3 270.804 2.541 20 30 CFEDHN C[C@]1(CNCc2cc(C#N)cnc2Cl)CCCS1 ZINC000877083837 643142329 /nfs/dbraw/zinc/14/23/29/643142329.db2.gz FZIJWWAYVWZOQI-CYBMUJFWSA-N 0 3 281.812 2.982 20 30 CFEDHN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CCCS1 ZINC000877083838 643142876 /nfs/dbraw/zinc/14/28/76/643142876.db2.gz FZIJWWAYVWZOQI-ZDUSSCGKSA-N 0 3 281.812 2.982 20 30 CFEDHN N#Cc1cccc(CNCC2([C@@H](O)c3ccccc3)CC2)n1 ZINC000877113084 643157760 /nfs/dbraw/zinc/15/77/60/643157760.db2.gz ZIXOFOBCECZJPQ-KRWDZBQOSA-N 0 3 293.370 2.557 20 30 CFEDHN CO[C@@H]1CCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877132154 643169795 /nfs/dbraw/zinc/16/97/95/643169795.db2.gz 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ACUMSJFJXJFUIT-MRXNPFEDSA-N 0 3 290.338 2.519 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462701 644280251 /nfs/dbraw/zinc/28/02/51/644280251.db2.gz VCOVWUIYYSCEGZ-AWEZNQCLSA-N 0 3 290.407 2.790 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@H](O)CC(C)(C)C1 ZINC000879623141 644351585 /nfs/dbraw/zinc/35/15/85/644351585.db2.gz SGKFSYVNIRFZGY-SWLSCSKDSA-N 0 3 258.365 2.712 20 30 CFEDHN C=C(Br)CNC1([C@@H]2CCCCO2)CCC1 ZINC000879731569 644399040 /nfs/dbraw/zinc/39/90/40/644399040.db2.gz CBOMMUZFZPQEBY-NSHDSACASA-N 0 3 274.202 2.976 20 30 CFEDHN CC#CCCN1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879755999 644412737 /nfs/dbraw/zinc/41/27/37/644412737.db2.gz YHFWEQDPJFFHTK-HUUCEWRRSA-N 0 3 292.423 2.874 20 30 CFEDHN CC(C)(O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000880145424 644552860 /nfs/dbraw/zinc/55/28/60/644552860.db2.gz GIYWUHOHJLRRJK-AWEZNQCLSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCOc1ccc(CN2CCC(OC(C)=O)CC2)cc1 ZINC000093453730 650940057 /nfs/dbraw/zinc/94/00/57/650940057.db2.gz VPQRJVFOFWHDNU-UHFFFAOYSA-N 0 3 289.375 2.779 20 30 CFEDHN C=CCCC[C@H](NCC(=O)NCC)c1ccccc1 ZINC000880389039 644685434 /nfs/dbraw/zinc/68/54/34/644685434.db2.gz PZLFCBOOZKIUME-HNNXBMFYSA-N 0 3 260.381 2.810 20 30 CFEDHN CCC#C[C@@H](C)N1CCN(CCCOC(C)(C)C)CC1 ZINC000880413959 644697088 /nfs/dbraw/zinc/69/70/88/644697088.db2.gz XRGMERBOOYVCEW-MRXNPFEDSA-N 0 3 280.456 2.611 20 30 CFEDHN C#CCC1(O)CCN([C@H](C)c2ccccc2F)CC1 ZINC000880479329 644730283 /nfs/dbraw/zinc/73/02/83/644730283.db2.gz UCSRXINQOCTDBN-CYBMUJFWSA-N 0 3 261.340 2.737 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCC[C@]23CCCO3)c1F ZINC000880504859 644740254 /nfs/dbraw/zinc/74/02/54/644740254.db2.gz FAZSBZSVABYVPA-ZBFHGGJFSA-N 0 3 274.339 2.889 20 30 CFEDHN C=CCC[C@@H](NCc1c(C)noc1C)[C@@H]1CCCO1 ZINC000883176987 645641621 /nfs/dbraw/zinc/64/16/21/645641621.db2.gz OXOUDWRNHFWTMW-CABCVRRESA-N 0 3 264.369 2.895 20 30 CFEDHN C=CCC[C@@H](NCc1cc(C)no1)[C@@H]1CCCO1 ZINC000883186169 645648314 /nfs/dbraw/zinc/64/83/14/645648314.db2.gz MXGYILAOZRWHGK-KGLIPLIRSA-N 0 3 250.342 2.586 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883392271 645791311 /nfs/dbraw/zinc/79/13/11/645791311.db2.gz DLXRUIYDFNHDRX-RYUDHWBXSA-N 0 3 294.351 2.581 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883395276 645793070 /nfs/dbraw/zinc/79/30/70/645793070.db2.gz QHXUFJPQWYYRNX-SJORKVTESA-N 0 3 297.402 2.610 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(OCC)c(OC)cc1F ZINC000883399256 645795601 /nfs/dbraw/zinc/79/56/01/645795601.db2.gz IJBWPDMTCKYTOT-CYBMUJFWSA-N 0 3 297.370 2.650 20 30 CFEDHN C=CC(C)(C)CC(=O)N1CCNC2(CCCCC2)C1 ZINC000883511105 645866726 /nfs/dbraw/zinc/86/67/26/645866726.db2.gz FKIKZEXENIYJBI-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2ccc(CC)cc2)CC1 ZINC000132379769 645912708 /nfs/dbraw/zinc/91/27/08/645912708.db2.gz IQNCGFQVSYPYLD-SFHVURJKSA-N 0 3 288.435 2.698 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(CC)cc2)CC1 ZINC000132379586 645912872 /nfs/dbraw/zinc/91/28/72/645912872.db2.gz IQNCGFQVSYPYLD-GOSISDBHSA-N 0 3 288.435 2.698 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C(F)F)o2)CC1 ZINC001006353385 646002737 /nfs/dbraw/zinc/00/27/37/646002737.db2.gz LZDYAWOEHKSKKG-UHFFFAOYSA-N 0 3 298.333 2.940 20 30 CFEDHN CCCCCC[C@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884048009 646151137 /nfs/dbraw/zinc/15/11/37/646151137.db2.gz UTPNCAOBQNDYTG-BOLLXYOYSA-N 0 3 291.439 2.601 20 30 CFEDHN CC(C)c1cccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)c1 ZINC000884056427 646167117 /nfs/dbraw/zinc/16/71/17/646167117.db2.gz XNWQJJHZFMCNNO-SWKXRBFHSA-N 0 3 297.402 2.888 20 30 CFEDHN CC(C)c1cccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)c1 ZINC000884056426 646167928 /nfs/dbraw/zinc/16/79/28/646167928.db2.gz XNWQJJHZFMCNNO-CSLYMUCUSA-N 0 3 297.402 2.888 20 30 CFEDHN COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1C#N ZINC000135186982 646488164 /nfs/dbraw/zinc/48/81/64/646488164.db2.gz JBHRHEUBRVQVFC-UHFFFAOYSA-N 0 3 282.343 2.904 20 30 CFEDHN COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1C#N ZINC000135186982 646488167 /nfs/dbraw/zinc/48/81/67/646488167.db2.gz JBHRHEUBRVQVFC-UHFFFAOYSA-N 0 3 282.343 2.904 20 30 CFEDHN N#Cc1ccc(F)c(CNCc2ccccc2O)c1 ZINC000135234424 646495828 /nfs/dbraw/zinc/49/58/28/646495828.db2.gz QDXYZNQJQWYVAD-UHFFFAOYSA-N 0 3 256.280 2.693 20 30 CFEDHN C=CC[C@@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481240 646695429 /nfs/dbraw/zinc/69/54/29/646695429.db2.gz LXCUUQYICJRCNV-NEPJUHHUSA-N 0 3 267.369 2.531 20 30 CFEDHN N#CC(C(=O)CCc1ccccn1)c1nc2ccccc2[nH]1 ZINC000136105783 646739821 /nfs/dbraw/zinc/73/98/21/646739821.db2.gz BXOPGBOSNNBLRH-ZDUSSCGKSA-N 0 3 290.326 2.767 20 30 CFEDHN N#CC(C(=O)CCc1ccncc1)c1nc2ccccc2[nH]1 ZINC000136107870 646740084 /nfs/dbraw/zinc/74/00/84/646740084.db2.gz CRQJCPNFYZNYJT-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN C[C@H](c1ccco1)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885967294 646788338 /nfs/dbraw/zinc/78/83/38/646788338.db2.gz LPFKVPGZSLHJMP-OLZOCXBDSA-N 0 3 262.353 2.717 20 30 CFEDHN CC(C)(C)CN(CCC#N)C[C@@H]1C[C@]12CCOC2 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C#CC[C@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000886359340 646986875 /nfs/dbraw/zinc/98/68/75/646986875.db2.gz ASNCYNMNUICJKN-ZDUSSCGKSA-N 0 3 297.354 2.652 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000886361645 646987884 /nfs/dbraw/zinc/98/78/84/646987884.db2.gz QCXQTIAIAWKKPT-DNVCBOLYSA-N 0 3 296.414 2.599 20 30 CFEDHN C#CCN(C(=O)[C@@H](C)c1ccccc1C)C1CCN(C)CC1 ZINC000886571030 647050090 /nfs/dbraw/zinc/05/00/90/647050090.db2.gz GIGPYTGBQUFVSR-INIZCTEOSA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCN(C(=O)[C@@H](C)C(CC)CC)C1CCN(C)CC1 ZINC000886578972 647053057 /nfs/dbraw/zinc/05/30/57/647053057.db2.gz SLFAGJKXTWQLQX-AWEZNQCLSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C(=O)C[C@H](CC)C(C)C)C1CCN(C)CC1 ZINC000886582236 647054135 /nfs/dbraw/zinc/05/41/35/647054135.db2.gz KZHJQVOMFJCTPE-HNNXBMFYSA-N 0 3 278.440 2.615 20 30 CFEDHN C#CCN(C(=O)C=C1CCC(C)CC1)C1CCN(C)CC1 ZINC000886581036 647054220 /nfs/dbraw/zinc/05/42/20/647054220.db2.gz HQSBVBGMUFCBQV-UHFFFAOYSA-N 0 3 288.435 2.679 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)cc1F ZINC000886822239 647153687 /nfs/dbraw/zinc/15/36/87/647153687.db2.gz OBBYKUKCFRHFBG-ZBFHGGJFSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886838230 647158539 /nfs/dbraw/zinc/15/85/39/647158539.db2.gz TXDIDQZYQJIDAT-BBRMVZONSA-N 0 3 274.339 2.698 20 30 CFEDHN OC1(C2(CNCC#Cc3ccc(F)cc3)CCC2)CCC1 ZINC000886979769 647187547 /nfs/dbraw/zinc/18/75/47/647187547.db2.gz YYNSOBQEUZEXPG-UHFFFAOYSA-N 0 3 287.378 2.852 20 30 CFEDHN CN(CC(=O)N(C)Cc1cc(C#N)cs1)CC(C)(C)C ZINC000887965989 647451033 /nfs/dbraw/zinc/45/10/33/647451033.db2.gz RUHNBCAUPTXMOG-UHFFFAOYSA-N 0 3 293.436 2.556 20 30 CFEDHN C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@]2(CCOC2)O1 ZINC000930294278 647893879 /nfs/dbraw/zinc/89/38/79/647893879.db2.gz MPMVWAMKZJVZQT-WBVHZDCISA-N 0 3 292.423 2.730 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1ccc(F)cc1 ZINC000925424143 648167338 /nfs/dbraw/zinc/16/73/38/648167338.db2.gz ULWPVQUALGVDNR-FZMZJTMJSA-N 0 3 264.344 2.777 20 30 CFEDHN COc1ccc(CN[C@@H](C)C2(Cl)CC2)cc1C#N ZINC000925582204 648226228 /nfs/dbraw/zinc/22/62/28/648226228.db2.gz CGYQGRUBYSRMKF-JTQLQIEISA-N 0 3 264.756 2.816 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)N1CCc2sc(CN)nc2C1 ZINC000925751999 648307273 /nfs/dbraw/zinc/30/72/73/648307273.db2.gz SUWQROPNJSVDJU-WDEREUQCSA-N 0 3 265.426 2.561 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926155532 648418670 /nfs/dbraw/zinc/41/86/70/648418670.db2.gz XSTLPZRLQRAZBK-ZWNOBZJWSA-N 0 3 266.772 2.639 20 30 CFEDHN C=C1CCC(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000926539086 648524423 /nfs/dbraw/zinc/52/44/23/648524423.db2.gz URKBQVPTRXWLKK-INIZCTEOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2C(C)(C)C)nn1 ZINC000926615852 648552001 /nfs/dbraw/zinc/55/20/01/648552001.db2.gz RYDTVXUPABPJIY-KGLIPLIRSA-N 0 3 262.401 2.769 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cc(C2CC2)nn1C ZINC000927101543 648712316 /nfs/dbraw/zinc/71/23/16/648712316.db2.gz SKUNPXMVZUFIPB-LLVKDONJSA-N 0 3 260.385 2.715 20 30 CFEDHN CC[C@H]([NH2+]CCNc1ccc(C#N)cn1)c1ccccc1[O-] ZINC000927166402 648734473 /nfs/dbraw/zinc/73/44/73/648734473.db2.gz XIXFNQPTOAWPHQ-HNNXBMFYSA-N 0 3 296.374 2.812 20 30 CFEDHN CN(CCCCC1(C#N)CCC1)Cc1cnn(C)c1 ZINC000929132737 648986710 /nfs/dbraw/zinc/98/67/10/648986710.db2.gz JWRVHFCCYCSBLF-UHFFFAOYSA-N 0 3 260.385 2.716 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000929526935 649066601 /nfs/dbraw/zinc/06/66/01/649066601.db2.gz XULFXDUEBGRVKR-RDJZCZTQSA-N 0 3 286.419 2.979 20 30 CFEDHN CC(C)c1ccc(C(C)(C)NC[C@H](O)CC#N)cc1 ZINC000929969277 649157313 /nfs/dbraw/zinc/15/73/13/649157313.db2.gz KOGPDDFHDXJGCK-OAHLLOKOSA-N 0 3 260.381 2.909 20 30 CFEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cncc(C#N)c1 ZINC000930035398 649171258 /nfs/dbraw/zinc/17/12/58/649171258.db2.gz LZSOWSLOTTVBNY-HOTGVXAUSA-N 0 3 287.407 2.979 20 30 CFEDHN C[C@H](C#N)CN(C[C@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000930085601 649181176 /nfs/dbraw/zinc/18/11/76/649181176.db2.gz IDGXNRNGMNDEQU-MQYQWHSLSA-N 0 3 250.386 2.814 20 30 CFEDHN CC[C@@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000930187022 649201922 /nfs/dbraw/zinc/20/19/22/649201922.db2.gz AOTMSALCESSZKI-CHWSQXEVSA-N 0 3 252.745 2.655 20 30 CFEDHN CCCC[C@@H](NC[C@H](O)CC#N)c1ccc(OC)cc1 ZINC000930213945 649208000 /nfs/dbraw/zinc/20/80/00/649208000.db2.gz LJWIIJZRIGAUTP-GDBMZVCRSA-N 0 3 276.380 2.791 20 30 CFEDHN C#CC[C@@H](NCC[S@@](=O)C(F)(F)F)c1ccccc1 ZINC000930221351 649208603 /nfs/dbraw/zinc/20/86/03/649208603.db2.gz SSPAMGZSSMOKGN-CWTRNNRKSA-N 0 3 289.322 2.609 20 30 CFEDHN N#CC[C@@H](O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000930451015 649250333 /nfs/dbraw/zinc/25/03/33/649250333.db2.gz QPPDPVDBROOSRU-QBPKDAKJSA-N 0 3 270.376 2.529 20 30 CFEDHN CC(F)(F)CCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000930540344 649270265 /nfs/dbraw/zinc/27/02/65/649270265.db2.gz FXNMDQROPYABSY-ZDUSSCGKSA-N 0 3 295.333 2.842 20 30 CFEDHN CC1(C)CCN(CC2CCC(C#N)CC2)CC[S@]1=O ZINC000930649419 649297266 /nfs/dbraw/zinc/29/72/66/649297266.db2.gz WHBYSBNPXIYKTH-SVGDTCPJSA-N 0 3 282.453 2.549 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000930817204 649327635 /nfs/dbraw/zinc/32/76/35/649327635.db2.gz SQZGNYBBEILQFO-QWRGUYRKSA-N 0 3 299.283 2.670 20 30 CFEDHN C[C@@H](CC#N)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930869252 649339644 /nfs/dbraw/zinc/33/96/44/649339644.db2.gz XFZGGAXIKBGKHH-XQQFMLRXSA-N 0 3 281.400 2.572 20 30 CFEDHN C#CC1(O)CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000931149031 649387320 /nfs/dbraw/zinc/38/73/20/649387320.db2.gz DKABIROJVUJJEV-OAHLLOKOSA-N 0 3 275.779 2.787 20 30 CFEDHN N#CCc1cccc2c1CCN(CCc1ccns1)C2 ZINC000931332608 649410219 /nfs/dbraw/zinc/41/02/19/649410219.db2.gz JTAKOPHGRUTWFB-UHFFFAOYSA-N 0 3 283.400 2.810 20 30 CFEDHN C[C@@H]1C[C@H](CN(C)[C@@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000931476176 649437725 /nfs/dbraw/zinc/43/77/25/649437725.db2.gz NQBYEOKRXDJLEF-GZBLMMOJSA-N 0 3 250.386 2.814 20 30 CFEDHN CNC(=O)CN(Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000931567331 649455407 /nfs/dbraw/zinc/45/54/07/649455407.db2.gz CYPGGURUQLPVHC-UHFFFAOYSA-N 0 3 299.418 2.565 20 30 CFEDHN N#Cc1cncc(CNC2([C@H]3CCCCO3)CCC2)c1 ZINC000931565806 649455858 /nfs/dbraw/zinc/45/58/58/649455858.db2.gz XRFALUPLDNPIHT-OAHLLOKOSA-N 0 3 271.364 2.535 20 30 CFEDHN C#CCCCN1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931795802 649490911 /nfs/dbraw/zinc/49/09/11/649490911.db2.gz JFDXEOCTBHNUMH-QGZVFWFLSA-N 0 3 265.360 2.771 20 30 CFEDHN N#CCC1(CN2C[C@@H]3C[C@]3(c3ccccc3)C2)CC1 ZINC000931921545 649510623 /nfs/dbraw/zinc/51/06/23/649510623.db2.gz HMLKCIMXZWFHJP-DOTOQJQBSA-N 0 3 252.361 2.954 20 30 CFEDHN Cc1nc([C@H]2CCN([C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936698 649515474 /nfs/dbraw/zinc/51/54/74/649515474.db2.gz FKCCMIUVPUBWAU-ABAIWWIYSA-N 0 3 282.347 2.800 20 30 CFEDHN Cc1nc([C@@H]2CCN(CCCCC(C)(C)C#N)C2)no1 ZINC000931936838 649515688 /nfs/dbraw/zinc/51/56/88/649515688.db2.gz GIWALHJYHMGBQD-CYBMUJFWSA-N 0 3 276.384 2.887 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3c(C)cccn3c2)CC1 ZINC000932141381 649549405 /nfs/dbraw/zinc/54/94/05/649549405.db2.gz XLJWCYLNUZYZRU-UHFFFAOYSA-N 0 3 297.402 2.628 20 30 CFEDHN C[C@H]1CCN(CCC2(C#N)CCCCC2)CCO1 ZINC000932340805 649579946 /nfs/dbraw/zinc/57/99/46/649579946.db2.gz GMYJJXLSZOFWIN-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN C=C(CC)CN1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932668328 649634969 /nfs/dbraw/zinc/63/49/69/649634969.db2.gz UFSRFILHLMWMML-LLVKDONJSA-N 0 3 280.393 2.685 20 30 CFEDHN C=C(C)CN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933239875 649681538 /nfs/dbraw/zinc/68/15/38/649681538.db2.gz JMLIBQKIIXWURJ-LBPRGKRZSA-N 0 3 259.271 2.905 20 30 CFEDHN CCC1(CC)CNC(=O)[C@H]1NCc1c(C)cc(C#N)cc1C ZINC000933281453 649685299 /nfs/dbraw/zinc/68/52/99/649685299.db2.gz DCYOJYBAIHPQMZ-MRXNPFEDSA-N 0 3 299.418 2.570 20 30 CFEDHN CC1(C)CCC[C@H](CN2CCC3(CC2)CC(=O)C=CO3)O1 ZINC000933644964 649709600 /nfs/dbraw/zinc/70/96/00/649709600.db2.gz YARPZZXVTFURPE-OAHLLOKOSA-N 0 3 293.407 2.672 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933655409 649711088 /nfs/dbraw/zinc/71/10/88/649711088.db2.gz FVVADTFWKPPRHY-SJLPKXTDSA-N 0 3 285.387 2.864 20 30 CFEDHN COC(=O)C[C@@H](NCc1cc(C#N)ccc1F)C(C)(C)C ZINC000934027639 649742214 /nfs/dbraw/zinc/74/22/14/649742214.db2.gz UKJLJVZZNSRGNM-CQSZACIVSA-N 0 3 292.354 2.765 20 30 CFEDHN COc1ccccc1N1CCCN([C@H](C)CCC#N)CC1 ZINC000934178421 649756764 /nfs/dbraw/zinc/75/67/64/649756764.db2.gz ZETCPHKHJLCKPZ-OAHLLOKOSA-N 0 3 287.407 2.900 20 30 CFEDHN C=CC[C@H]1CCN1[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000934471324 649791040 /nfs/dbraw/zinc/79/10/40/649791040.db2.gz ICYKXPNJYZUGNH-YOEHRIQHSA-N 0 3 284.403 2.610 20 30 CFEDHN C=CC[C@H]1CCN1[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000934471317 649791206 /nfs/dbraw/zinc/79/12/06/649791206.db2.gz ICYKXPNJYZUGNH-PBHICJAKSA-N 0 3 284.403 2.610 20 30 CFEDHN C#C[C@@H]1CCCCN1Cc1ccc(OCC#N)cc1 ZINC000934512819 649796457 /nfs/dbraw/zinc/79/64/57/649796457.db2.gz YRTTYOADSGQFCB-OAHLLOKOSA-N 0 3 254.333 2.577 20 30 CFEDHN C=CCCCCN1CCOC[C@H]1CC1CCOCC1 ZINC000934632356 649807311 /nfs/dbraw/zinc/80/73/11/649807311.db2.gz BLDQFCOWJYHZFE-MRXNPFEDSA-N 0 3 267.413 2.860 20 30 CFEDHN C=C(C)c1cccc(NC(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000934876487 649846211 /nfs/dbraw/zinc/84/62/11/649846211.db2.gz TUYOHLAKNBESLK-OAHLLOKOSA-N 0 3 273.380 2.935 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001007899176 651139854 /nfs/dbraw/zinc/13/98/54/651139854.db2.gz WPLSVHQCDIIPAD-KRWDZBQOSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001008688961 651151933 /nfs/dbraw/zinc/15/19/33/651151933.db2.gz POKSNRKMRHIYGT-WMZOPIPTSA-N 0 3 298.430 2.702 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC001008777961 651153633 /nfs/dbraw/zinc/15/36/33/651153633.db2.gz NSJOUQDHJYQYOA-OAHLLOKOSA-N 0 3 292.448 2.756 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001009260756 651157896 /nfs/dbraw/zinc/15/78/96/651157896.db2.gz OFMRVFYFPPBZEQ-AEFFLSMTSA-N 0 3 298.430 2.702 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001009425612 651160787 /nfs/dbraw/zinc/16/07/87/651160787.db2.gz OVMJRDUFLLLJKI-OAHLLOKOSA-N 0 3 294.345 2.735 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001009626066 651162737 /nfs/dbraw/zinc/16/27/37/651162737.db2.gz HPYCMXVGXARWAO-CQSZACIVSA-N 0 3 292.448 2.756 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009699151 651164421 /nfs/dbraw/zinc/16/44/21/651164421.db2.gz UZDLIHARXRZDLB-GPANFISMSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001010379167 651174223 /nfs/dbraw/zinc/17/42/23/651174223.db2.gz DZALHPBKIVPNCN-OAHLLOKOSA-N 0 3 262.397 2.644 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014893403 651193545 /nfs/dbraw/zinc/19/35/45/651193545.db2.gz IFJNXUDZKOHNSD-GFCCVEGCSA-N 0 3 294.345 2.653 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015153505 651196551 /nfs/dbraw/zinc/19/65/51/651196551.db2.gz RITNNDJSMWQNOM-GFCCVEGCSA-N 0 3 278.421 2.691 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015215661 651197588 /nfs/dbraw/zinc/19/75/88/651197588.db2.gz MTLNBVDAFXGYFG-INIZCTEOSA-N 0 3 276.424 2.561 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001015302398 651198797 /nfs/dbraw/zinc/19/87/97/651198797.db2.gz FTSWPSDXSRBKBP-ZDUSSCGKSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001015461112 651201219 /nfs/dbraw/zinc/20/12/19/651201219.db2.gz ZZZMNMRILOZGCZ-HNNXBMFYSA-N 0 3 298.386 2.742 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015754362 651212081 /nfs/dbraw/zinc/21/20/81/651212081.db2.gz BPMWZMCTHXOOSU-ZDUSSCGKSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015810096 651214676 /nfs/dbraw/zinc/21/46/76/651214676.db2.gz ZWMJYDONCVENKO-NSHDSACASA-N 0 3 298.839 2.711 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001015878088 651217240 /nfs/dbraw/zinc/21/72/40/651217240.db2.gz CSKMIABZHKKGQU-DLBZAZTESA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016012901 651220946 /nfs/dbraw/zinc/22/09/46/651220946.db2.gz IJFXCWMVJXLBII-WBVHZDCISA-N 0 3 286.419 2.865 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016077164 651223973 /nfs/dbraw/zinc/22/39/73/651223973.db2.gz NSAUXFIEQQSYBG-KRWDZBQOSA-N 0 3 284.403 2.637 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016198345 651227663 /nfs/dbraw/zinc/22/76/63/651227663.db2.gz QLCKCDUNIFIZCG-ZDUSSCGKSA-N 0 3 278.421 2.745 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316442 651230124 /nfs/dbraw/zinc/23/01/24/651230124.db2.gz NSCZLFWYLJYCNX-KRWDZBQOSA-N 0 3 284.403 2.944 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016357847 651231542 /nfs/dbraw/zinc/23/15/42/651231542.db2.gz VBYJSQXRIMJQQH-KRWDZBQOSA-N 0 3 284.403 2.944 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016378895 651232797 /nfs/dbraw/zinc/23/27/97/651232797.db2.gz VRKDCEDQTMEIQP-ZDUSSCGKSA-N 0 3 276.380 2.783 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)cc2C)CC1 ZINC001016956496 651243392 /nfs/dbraw/zinc/24/33/92/651243392.db2.gz RDUDSORDQPLTTN-QGZVFWFLSA-N 0 3 296.414 2.521 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001017487063 651252924 /nfs/dbraw/zinc/25/29/24/651252924.db2.gz DLXQFMGUCXFMJU-QLFBSQMISA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018123789 651264980 /nfs/dbraw/zinc/26/49/80/651264980.db2.gz OSSNWFLOHHBQCF-TWMKSMIVSA-N 0 3 290.451 2.920 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018130044 651265530 /nfs/dbraw/zinc/26/55/30/651265530.db2.gz OSGQWPSNYCBMNZ-JYYAWHABSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001085931528 782206056 /nfs/dbraw/zinc/20/60/56/782206056.db2.gz ATPVJUUHUHRMOA-FGTMMUONSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989136 782228047 /nfs/dbraw/zinc/22/80/47/782228047.db2.gz IQZXLHXMHKLOAK-BHUNQDJPSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001086059223 782250766 /nfs/dbraw/zinc/25/07/66/782250766.db2.gz XEQVYKKRNUQOCC-BETUJISGSA-N 0 3 296.798 2.747 20 30 CFEDHN CC#CCN1CCC[C@H](NC(=O)C[C@@H](C)CCC)CC1 ZINC001273400769 782269352 /nfs/dbraw/zinc/26/93/52/782269352.db2.gz SVHOZVJEYYPQQS-HOTGVXAUSA-N 0 3 278.440 2.807 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001266853779 770676568 /nfs/dbraw/zinc/67/65/68/770676568.db2.gz SYXWTLBPODWRJK-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN CCC[C@@H](C)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001124587717 779694188 /nfs/dbraw/zinc/69/41/88/779694188.db2.gz LBYASZPLJNKVGH-CQSZACIVSA-N 0 3 287.407 2.590 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033255132 780634076 /nfs/dbraw/zinc/63/40/76/780634076.db2.gz UBKMDDFWJVASKM-QGZVFWFLSA-N 0 3 298.430 2.809 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033392732 780670420 /nfs/dbraw/zinc/67/04/20/780670420.db2.gz CYLDTLZBKNCJBE-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001033644333 780741422 /nfs/dbraw/zinc/74/14/22/780741422.db2.gz JSQKXMUOYVJQRV-QGZVFWFLSA-N 0 3 286.419 2.565 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C(C)(C)c2ccccc2)C1 ZINC001033647701 780744005 /nfs/dbraw/zinc/74/40/05/780744005.db2.gz IUCPXJGWNUIKIR-QGZVFWFLSA-N 0 3 298.430 2.520 20 30 CFEDHN CN(Cc1ccsc1)C[C@H](O)c1cccc(C#N)c1 ZINC000402159384 769902025 /nfs/dbraw/zinc/90/20/25/769902025.db2.gz RDQWUWYDBRHQCO-HNNXBMFYSA-N 0 3 272.373 2.785 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)C[C@H]1CCCCO1 ZINC001282390520 769906029 /nfs/dbraw/zinc/90/60/29/769906029.db2.gz YNXKYDIAPWUNSW-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C#CCN1CCN(CC[C@@H](C)CC(C)(C)C)CC1 ZINC001208667062 769918840 /nfs/dbraw/zinc/91/88/40/769918840.db2.gz XFZUZOVDUVSEQE-OAHLLOKOSA-N 0 3 250.430 2.700 20 30 CFEDHN C=CCCCCCN1CC[C@H](NC(=O)c2nocc2C)C1 ZINC001266349219 770001832 /nfs/dbraw/zinc/00/18/32/770001832.db2.gz BLYZFQQRAXNXJQ-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001266360423 770019077 /nfs/dbraw/zinc/01/90/77/770019077.db2.gz YUTLPAVBWUXQBN-LBPRGKRZSA-N 0 3 280.799 2.678 20 30 CFEDHN C#CCCCN1CCN(c2c(C)cccc2C)CC1 ZINC001209267497 770027305 /nfs/dbraw/zinc/02/73/05/770027305.db2.gz HYQWUBRYCOWEIE-UHFFFAOYSA-N 0 3 256.393 2.839 20 30 CFEDHN C#CCCCN1CCc2ncc(Br)cc2C1 ZINC001209265853 770028853 /nfs/dbraw/zinc/02/88/53/770028853.db2.gz LNCKSTKWBNNTFZ-UHFFFAOYSA-N 0 3 279.181 2.616 20 30 CFEDHN C=CCN1CCC(N(CCC)C(=O)[C@@H](C)CC)CC1 ZINC001266384696 770057381 /nfs/dbraw/zinc/05/73/81/770057381.db2.gz SBHJDOFIJVCJHL-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCCCCCCN1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001209438082 770088177 /nfs/dbraw/zinc/08/81/77/770088177.db2.gz FDIOVEGCVBPAQL-BRWVUGGUSA-N 0 3 281.440 2.985 20 30 CFEDHN C=CCN(CC)CCNC(=O)C(C)(C)CC(F)(F)F ZINC001266428717 770132152 /nfs/dbraw/zinc/13/21/52/770132152.db2.gz UTQKJBPDDYEDQE-UHFFFAOYSA-N 0 3 280.334 2.589 20 30 CFEDHN C[C@@H]1COCCN(Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110381 770175561 /nfs/dbraw/zinc/17/55/61/770175561.db2.gz KVDMZQXEOAVVFO-LBPRGKRZSA-N 0 3 269.348 2.508 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(F)F ZINC001266491051 770205610 /nfs/dbraw/zinc/20/56/10/770205610.db2.gz BHTPMCQCEGHQHV-BETUJISGSA-N 0 3 286.366 2.673 20 30 CFEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001039195207 770298966 /nfs/dbraw/zinc/29/89/66/770298966.db2.gz DDKUXMUDENLANV-SJORKVTESA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001266549397 770312236 /nfs/dbraw/zinc/31/22/36/770312236.db2.gz UYEWFKHVQHNMEV-OAHLLOKOSA-N 0 3 278.440 2.664 20 30 CFEDHN CCCN(CCNC(=O)C=C(C)C)Cc1cccc(C#N)c1 ZINC001266554302 770322251 /nfs/dbraw/zinc/32/22/51/770322251.db2.gz WZYJNRLSDYVBID-UHFFFAOYSA-N 0 3 299.418 2.853 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001266576513 770363183 /nfs/dbraw/zinc/36/31/83/770363183.db2.gz PLZZVVWIFXEQGT-MGPQQGTHSA-N 0 3 288.391 2.597 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001167373690 770385763 /nfs/dbraw/zinc/38/57/63/770385763.db2.gz DAMOOEHCUPRCDT-ZDUSSCGKSA-N 0 3 286.847 2.907 20 30 CFEDHN C=CCN(CCNC(=O)c1cccc2ccncc21)C1CC1 ZINC001266615300 770438373 /nfs/dbraw/zinc/43/83/73/770438373.db2.gz GWDMDOHCAWAMTD-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN(CCNC(=O)[C@]1(C)CCc2ccccc21)C1CC1 ZINC001266621380 770452002 /nfs/dbraw/zinc/45/20/02/770452002.db2.gz BUTFUMDZGLUXCE-LJQANCHMSA-N 0 3 298.430 2.657 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)Cc1ccc(CC)cc1 ZINC001167422472 770459358 /nfs/dbraw/zinc/45/93/58/770459358.db2.gz VALATVJDYVAGSH-UHFFFAOYSA-N 0 3 294.826 2.640 20 30 CFEDHN CCCCCC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266643136 770477605 /nfs/dbraw/zinc/47/76/05/770477605.db2.gz PRQLAXYKWBBDNU-UHFFFAOYSA-N 0 3 287.407 2.687 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001038207454 770510359 /nfs/dbraw/zinc/51/03/59/770510359.db2.gz ILKRSXJPQAUEBM-CYBMUJFWSA-N 0 3 276.380 2.612 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1c(C)nsc1C ZINC001266960991 770770516 /nfs/dbraw/zinc/77/05/16/770770516.db2.gz GCASRPSUMSDOCF-JTQLQIEISA-N 0 3 295.452 2.566 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](C)NCc1ccsc1 ZINC001266961556 770772142 /nfs/dbraw/zinc/77/21/42/770772142.db2.gz KQBDSRRTEWWTTG-NSHDSACASA-N 0 3 266.410 2.555 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1cnccc1C ZINC001266961784 770772188 /nfs/dbraw/zinc/77/21/88/770772188.db2.gz MCIMLCPKWNHGMV-CQSZACIVSA-N 0 3 289.423 2.587 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1cnc(C)s1 ZINC001266965595 770775860 /nfs/dbraw/zinc/77/58/60/770775860.db2.gz YKRFXIKRIPMZGD-AAEUAGOBSA-N 0 3 295.452 2.648 20 30 CFEDHN C=C1CCC(C(=O)N2CC[C@H](NC/C=C\Cl)C2)CC1 ZINC001267016215 770812428 /nfs/dbraw/zinc/81/24/28/770812428.db2.gz NRTZUJPHLSMVPN-OLUUIJGHSA-N 0 3 282.815 2.676 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@@H](NCCC#N)CC3 ZINC000425973157 770828789 /nfs/dbraw/zinc/82/87/89/770828789.db2.gz GKXRAOJSIGBVDV-NSHDSACASA-N 0 3 269.348 2.537 20 30 CFEDHN CN(CCc1ccc(F)cc1)Cc1ccc(C#N)nc1 ZINC001140544646 770863498 /nfs/dbraw/zinc/86/34/98/770863498.db2.gz XHLYKLXFLYBJFU-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN C=CCC1(C(=O)N(C)CCNC[C@@H](F)CC)CCCC1 ZINC001267150093 770943162 /nfs/dbraw/zinc/94/31/62/770943162.db2.gz LXBAJKIOKQRBEP-AWEZNQCLSA-N 0 3 284.419 2.919 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001267221395 773222733 /nfs/dbraw/zinc/22/27/33/773222733.db2.gz GQOJQVJDYTYRBK-AWEZNQCLSA-N 0 3 274.408 2.587 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001267303321 775175829 /nfs/dbraw/zinc/17/58/29/775175829.db2.gz LULBAHDBHBWPBX-HOTGVXAUSA-N 0 3 278.440 2.664 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001267307278 775183181 /nfs/dbraw/zinc/18/31/81/775183181.db2.gz PKOHUIYPTTVTIK-CVEARBPZSA-N 0 3 278.440 2.520 20 30 CFEDHN C=CCN(CCNC(=O)C1(C2CCC2)CCC1)C1CC1 ZINC001267330596 775211026 /nfs/dbraw/zinc/21/10/26/775211026.db2.gz FKYHLPCJEOAXJO-UHFFFAOYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C[C@@H](CCCCCC)OCCN1CCN(C)CC1 ZINC001224550527 775217461 /nfs/dbraw/zinc/21/74/61/775217461.db2.gz WITPCYODTPMISO-INIZCTEOSA-N 0 3 268.445 2.775 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001038287444 775251726 /nfs/dbraw/zinc/25/17/26/775251726.db2.gz MKPMLZQMJPDAGZ-CQSZACIVSA-N 0 3 290.382 2.904 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001224824708 775283635 /nfs/dbraw/zinc/28/36/35/775283635.db2.gz BQIKORPQJQDFCJ-CABCVRRESA-N 0 3 292.467 2.766 20 30 CFEDHN CC#CCNCCN(C)C(=O)c1cc2sccc2s1 ZINC001267390902 775310858 /nfs/dbraw/zinc/31/08/58/775310858.db2.gz PNRGZTGYWWBNNA-UHFFFAOYSA-N 0 3 292.429 2.648 20 30 CFEDHN CC#CCNCCN(C)C(=O)C1(c2ccccc2)CCCC1 ZINC001267466689 775365194 /nfs/dbraw/zinc/36/51/94/775365194.db2.gz ZTHISIFASZZVAH-UHFFFAOYSA-N 0 3 298.430 2.570 20 30 CFEDHN CC#CCNCCN(C)C(=O)CC1CCC(C)(C)CC1 ZINC001267478411 775376731 /nfs/dbraw/zinc/37/67/31/775376731.db2.gz QWKASHKJUWFTNZ-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042207005 775409239 /nfs/dbraw/zinc/40/92/39/775409239.db2.gz LKGIRDBZOPUFOQ-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1cc(N2CC3(CCN3C3CCCC3)C2)ccc1F ZINC001277035729 775421404 /nfs/dbraw/zinc/42/14/04/775421404.db2.gz RUZAIDTWOPMZGP-UHFFFAOYSA-N 0 3 285.366 2.904 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H]2C=CCC2)C1 ZINC001267540138 775447496 /nfs/dbraw/zinc/44/74/96/775447496.db2.gz SQZXIHQGOIMNBR-DLBZAZTESA-N 0 3 288.435 2.679 20 30 CFEDHN N#Cc1c[nH]c2cc(-n3nc(CN)c4ccccc43)ccc12 ZINC001167697949 775528069 /nfs/dbraw/zinc/52/80/69/775528069.db2.gz JOGFMOMCAIIMQS-UHFFFAOYSA-N 0 3 287.326 2.837 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025189469 775563203 /nfs/dbraw/zinc/56/32/03/775563203.db2.gz QKAJIYRMOIZYMT-GJZGRUSLSA-N 0 3 294.414 2.603 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(CC)CC ZINC001025197418 775566568 /nfs/dbraw/zinc/56/65/68/775566568.db2.gz IDEHREKAGURRCL-IAGOWNOFSA-N 0 3 290.451 2.901 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001025211747 775570450 /nfs/dbraw/zinc/57/04/50/775570450.db2.gz FQXKUXNHFMKGQR-IRXDYDNUSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001025215198 775572325 /nfs/dbraw/zinc/57/23/25/775572325.db2.gz JNFDOJNSIPFZGF-DLBZAZTESA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025252994 775581028 /nfs/dbraw/zinc/58/10/28/775581028.db2.gz RWVQIIPCGCMPGX-CVEARBPZSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025259549 775581734 /nfs/dbraw/zinc/58/17/34/775581734.db2.gz OMHLCZDLZRTYPL-CVEARBPZSA-N 0 3 290.451 2.901 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025329178 775606360 /nfs/dbraw/zinc/60/63/60/775606360.db2.gz NYNLSZPKLNPURO-SJLPKXTDSA-N 0 3 298.430 2.849 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001025377860 775628735 /nfs/dbraw/zinc/62/87/35/775628735.db2.gz JAHRBUUYFCVJQY-ZIAGYGMSSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025416527 775648836 /nfs/dbraw/zinc/64/88/36/775648836.db2.gz ZPLUPCPIPTXYNR-KBPBESRZSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025416528 775649419 /nfs/dbraw/zinc/64/94/19/775649419.db2.gz ZPLUPCPIPTXYNR-KGLIPLIRSA-N 0 3 290.432 2.520 20 30 CFEDHN C[C@@H](CN(C)C(=O)C(C)(C)C)NCC#Cc1ccccc1 ZINC001283704999 775682088 /nfs/dbraw/zinc/68/20/88/775682088.db2.gz QYRLOZQLBUOEOH-HNNXBMFYSA-N 0 3 286.419 2.521 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC001025525091 775689920 /nfs/dbraw/zinc/68/99/20/775689920.db2.gz XYUDDFVQCONOIA-NVXWUHKLSA-N 0 3 288.435 2.583 20 30 CFEDHN CC[NH+](CC)C[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226114045 775704280 /nfs/dbraw/zinc/70/42/80/775704280.db2.gz DFBFSKPVJCANHP-XBUHWIKASA-N 0 3 250.342 2.604 20 30 CFEDHN C=C1CC(C)(C(=O)N2CC[C@H](CN(C)C/C=C\Cl)C2)C1 ZINC001267684971 775776415 /nfs/dbraw/zinc/77/64/15/775776415.db2.gz VRBHFUNGTNEMRA-KXQLTZBTSA-N 0 3 296.842 2.876 20 30 CFEDHN C=CCCCCCN1CC[C@H](NC(=O)C(C)(C)F)C1 ZINC001267715812 775806402 /nfs/dbraw/zinc/80/64/02/775806402.db2.gz CSQSTNGAOIDWRG-ZDUSSCGKSA-N 0 3 270.392 2.671 20 30 CFEDHN C=C[C@@H](C(=O)N[C@H]1CCN(CC(=C)C)C1)c1ccccc1 ZINC001267734606 775830245 /nfs/dbraw/zinc/83/02/45/775830245.db2.gz QOSIFCDJNYLSMJ-DLBZAZTESA-N 0 3 284.403 2.723 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC001267762141 775892103 /nfs/dbraw/zinc/89/21/03/775892103.db2.gz DIEXNZPJVUWKBP-STQMWFEESA-N 0 3 293.436 2.644 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267772059 775908874 /nfs/dbraw/zinc/90/88/74/775908874.db2.gz SCSWWWVDIANOKZ-RYUDHWBXSA-N 0 3 292.345 2.684 20 30 CFEDHN C=CCCCN1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001267781626 775923804 /nfs/dbraw/zinc/92/38/04/775923804.db2.gz KVZVNLJYNWIDHP-CYBMUJFWSA-N 0 3 293.436 2.646 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)CC2CCC2)C1 ZINC001267784472 775928206 /nfs/dbraw/zinc/92/82/06/775928206.db2.gz KBFTZWZZXDMCJW-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H](C)C2CC2)C1 ZINC001267785102 775928876 /nfs/dbraw/zinc/92/88/76/775928876.db2.gz NTKYZKHYLDLLQE-DZGCQCFKSA-N 0 3 264.413 2.531 20 30 CFEDHN CC[C@@H](CNC(=O)CC(C)C)NCC#Cc1ccccc1 ZINC001267792464 775935421 /nfs/dbraw/zinc/93/54/21/775935421.db2.gz AGXUPZLNUBKTPL-KRWDZBQOSA-N 0 3 286.419 2.569 20 30 CFEDHN C=C1CCC(C(=O)NCC2(NC/C=C\Cl)CC2)CC1 ZINC001277164418 776008977 /nfs/dbraw/zinc/00/89/77/776008977.db2.gz IFRRULQHAXGWSD-MBXJOHMKSA-N 0 3 282.815 2.724 20 30 CFEDHN C=CCNC(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001277173942 776057578 /nfs/dbraw/zinc/05/75/78/776057578.db2.gz NTDVFEMTIXLEOP-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2cc(C#N)ccc2F)C1 ZINC001227058201 776078594 /nfs/dbraw/zinc/07/85/94/776078594.db2.gz NOWPGIDUGRQPJS-ZDUSSCGKSA-N 0 3 262.328 2.949 20 30 CFEDHN N#Cc1ccc(F)c(OC2CCN(C3CC3)CC2)c1 ZINC001227058446 776078707 /nfs/dbraw/zinc/07/87/07/776078707.db2.gz RPGYWILNLWWUKQ-UHFFFAOYSA-N 0 3 260.312 2.703 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNC[C@H](F)CC ZINC001267964717 776130716 /nfs/dbraw/zinc/13/07/16/776130716.db2.gz DSSDTIMUBAPQJP-ZIAGYGMSSA-N 0 3 284.419 2.917 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H]1CNC[C@@H](F)CC ZINC001267964716 776131424 /nfs/dbraw/zinc/13/14/24/776131424.db2.gz DSSDTIMUBAPQJP-UONOGXRCSA-N 0 3 284.419 2.917 20 30 CFEDHN CN1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227204891 776136863 /nfs/dbraw/zinc/13/68/63/776136863.db2.gz ZDMBJIOUONZPBA-LBPRGKRZSA-N 0 3 250.729 2.685 20 30 CFEDHN CCCCCCCN1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001277224601 776240866 /nfs/dbraw/zinc/24/08/66/776240866.db2.gz CWFMZBOOGPAYGK-OAHLLOKOSA-N 0 3 276.424 2.677 20 30 CFEDHN CCCCCCCCN1CCc2nc(C(N)=O)ccc2C1 ZINC001277230905 776251828 /nfs/dbraw/zinc/25/18/28/776251828.db2.gz NOCPTLAHAJDABJ-UHFFFAOYSA-N 0 3 289.423 2.899 20 30 CFEDHN CCCCCCCCCN1CC[C@@H]2C[C@@]21C(N)=O ZINC001277233051 776264613 /nfs/dbraw/zinc/26/46/13/776264613.db2.gz IPKJSZXWUPXMRJ-HIFRSBDPSA-N 0 3 252.402 2.687 20 30 CFEDHN CCCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027271627 776275346 /nfs/dbraw/zinc/27/53/46/776275346.db2.gz RTCSGFYAIIHMDF-QGZVFWFLSA-N 0 3 299.418 2.781 20 30 CFEDHN CCCC(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027271474 776275779 /nfs/dbraw/zinc/27/57/79/776275779.db2.gz OBEGPCBYTJRPKD-KRWDZBQOSA-N 0 3 299.418 2.781 20 30 CFEDHN CC(C)C(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC001027305708 776288499 /nfs/dbraw/zinc/28/84/99/776288499.db2.gz RDVBRALCENZQIC-KRWDZBQOSA-N 0 3 299.418 2.637 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001038721992 776298091 /nfs/dbraw/zinc/29/80/91/776298091.db2.gz CMKANZUHKVKXHP-AWEZNQCLSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCc1ccc(O[C@@H]2CCN(CC)C2)c(OC)c1 ZINC001227926916 776331774 /nfs/dbraw/zinc/33/17/74/776331774.db2.gz LWQLTFBJEZETIS-CQSZACIVSA-N 0 3 261.365 2.897 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC001277266764 776388035 /nfs/dbraw/zinc/38/80/35/776388035.db2.gz LMNJZQDOYAFQMV-OAHLLOKOSA-N 0 3 290.451 2.855 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCC1(NCCF)CCCC1 ZINC001268038474 776392336 /nfs/dbraw/zinc/39/23/36/776392336.db2.gz SEAQFQLBRXTADW-AWEZNQCLSA-N 0 3 270.392 2.577 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001027698248 776412178 /nfs/dbraw/zinc/41/21/78/776412178.db2.gz GIPYZXOYZDMIFZ-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001027760854 776444399 /nfs/dbraw/zinc/44/43/99/776444399.db2.gz BAPBURJIQFXAQT-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001027760854 776444406 /nfs/dbraw/zinc/44/44/06/776444406.db2.gz BAPBURJIQFXAQT-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN N#Cc1ccc(CNCCNC(=O)C2=CCCCCC2)cc1 ZINC001126210788 776447066 /nfs/dbraw/zinc/44/70/66/776447066.db2.gz XHXHIZMEFVWSRL-UHFFFAOYSA-N 0 3 297.402 2.655 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001027807034 776458348 /nfs/dbraw/zinc/45/83/48/776458348.db2.gz NWTXSJVZBBFYEW-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001027862451 776482198 /nfs/dbraw/zinc/48/21/98/776482198.db2.gz PIMIIXNUHAMMDZ-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027893740 776496610 /nfs/dbraw/zinc/49/66/10/776496610.db2.gz DVWNJUAOPVUMRN-SOUVJXGZSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027904490 776501891 /nfs/dbraw/zinc/50/18/91/776501891.db2.gz UUGRLYVDRRVRDA-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963353 776530798 /nfs/dbraw/zinc/53/07/98/776530798.db2.gz KPZVHQQPKXHHQD-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963352 776530884 /nfs/dbraw/zinc/53/08/84/776530884.db2.gz KPZVHQQPKXHHQD-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cc(C)ns1 ZINC001268064808 776534012 /nfs/dbraw/zinc/53/40/12/776534012.db2.gz HWNIAQATXXYUMV-ZDUSSCGKSA-N 0 3 295.452 2.744 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cc(C)ns1 ZINC001268064807 776534557 /nfs/dbraw/zinc/53/45/57/776534557.db2.gz HWNIAQATXXYUMV-CYBMUJFWSA-N 0 3 295.452 2.744 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028021133 776560808 /nfs/dbraw/zinc/56/08/08/776560808.db2.gz IUYWEROTSIIMGU-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1cncs1 ZINC001268086111 776561060 /nfs/dbraw/zinc/56/10/60/776561060.db2.gz WNGLQWDFTRDSIU-WFASDCNBSA-N 0 3 295.452 2.682 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043099 776568307 /nfs/dbraw/zinc/56/83/07/776568307.db2.gz GIEABMMBASALSD-YVSFHVDLSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081063 776596595 /nfs/dbraw/zinc/59/65/95/776596595.db2.gz LNMUPNYQLDOYCM-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001268102156 776599287 /nfs/dbraw/zinc/59/92/87/776599287.db2.gz CXFHNVXJCCGYHX-AWEZNQCLSA-N 0 3 290.407 2.702 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001028087017 776603190 /nfs/dbraw/zinc/60/31/90/776603190.db2.gz JNBHRIAMXDOCAL-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001028110352 776631561 /nfs/dbraw/zinc/63/15/61/776631561.db2.gz CQQKYHATRFGKEA-OAHLLOKOSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001028127036 776647367 /nfs/dbraw/zinc/64/73/67/776647367.db2.gz SIMGFKSZLTYQFF-UXLLHSPISA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)C(=O)OC[C@H](C)Oc1ccc2c(c1)CCN(C)C2 ZINC001228936848 776663375 /nfs/dbraw/zinc/66/33/75/776663375.db2.gz OKDWIRNVZWHILN-ZDUSSCGKSA-N 0 3 289.375 2.561 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001028163402 776672893 /nfs/dbraw/zinc/67/28/93/776672893.db2.gz SANGGDQMNIUZJF-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cccc(F)c1 ZINC001268340751 776752170 /nfs/dbraw/zinc/75/21/70/776752170.db2.gz WFGJEEFHRMCMLZ-LLVKDONJSA-N 0 3 284.762 2.676 20 30 CFEDHN C#CC[C@H](C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303363 776773390 /nfs/dbraw/zinc/77/33/90/776773390.db2.gz SGVXNWPFQNJGRK-ZDUSSCGKSA-N 0 3 259.349 2.612 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028274977 776785928 /nfs/dbraw/zinc/78/59/28/776785928.db2.gz NVDQYQBMBOFDDY-BZUAXINKSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001139869244 776828029 /nfs/dbraw/zinc/82/80/29/776828029.db2.gz CDDMMCOGZDSIHE-SHTZXODSSA-N 0 3 266.429 2.779 20 30 CFEDHN C[C@@H]1CCN(Cc2cc(F)cc(C#N)c2)CC[C@]1(C)O ZINC001139873607 776833759 /nfs/dbraw/zinc/83/37/59/776833759.db2.gz XVENJTPELWLPLH-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN C#CCNCCN(CC)C(=O)c1cc2ccccc2cc1F ZINC001268464363 776850964 /nfs/dbraw/zinc/85/09/64/776850964.db2.gz FGWZMUMTVVVTHA-UHFFFAOYSA-N 0 3 298.361 2.664 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028334529 776859932 /nfs/dbraw/zinc/85/99/32/776859932.db2.gz CFGFABSJEMPZJI-SSHXOBKSSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001028348035 776867100 /nfs/dbraw/zinc/86/71/00/776867100.db2.gz JCGIZUAIFYLBRE-AWEZNQCLSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001075660697 776972122 /nfs/dbraw/zinc/97/21/22/776972122.db2.gz FDSORPILRDCNSV-LSDHHAIUSA-N 0 3 288.391 2.619 20 30 CFEDHN C#CCNC/C=C/CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001268631154 777002187 /nfs/dbraw/zinc/00/21/87/777002187.db2.gz XCPHGODTRHQKEJ-LQYUOIDQSA-N 0 3 284.403 2.709 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)CC ZINC001230553493 777011450 /nfs/dbraw/zinc/01/14/50/777011450.db2.gz WNFVFQVRTSJIBX-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001028625646 777013415 /nfs/dbraw/zinc/01/34/15/777013415.db2.gz WEYHORUNVBIQDA-IAGOWNOFSA-N 0 3 288.435 2.584 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230588036 777020603 /nfs/dbraw/zinc/02/06/03/777020603.db2.gz LGBHBTVMSLWVRM-ZIAGYGMSSA-N 0 3 276.380 2.781 20 30 CFEDHN C=CCCCC(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001268702069 777025246 /nfs/dbraw/zinc/02/52/46/777025246.db2.gz RZJYTVVWVRCTNH-LBPRGKRZSA-N 0 3 291.420 2.570 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268703824 777025673 /nfs/dbraw/zinc/02/56/73/777025673.db2.gz RUQBHFCWCNADLH-LPHOPBHVSA-N 0 3 298.430 2.735 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230681631 777041163 /nfs/dbraw/zinc/04/11/63/777041163.db2.gz KUKURPDESJVGAQ-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001268746029 777042950 /nfs/dbraw/zinc/04/29/50/777042950.db2.gz MSWUGIVDEZHVSE-JTQLQIEISA-N 0 3 284.762 2.715 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230702601 777046799 /nfs/dbraw/zinc/04/67/99/777046799.db2.gz NPAXZLHMDBHZPD-AWEZNQCLSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc2ncsc2c1 ZINC001268757424 777048561 /nfs/dbraw/zinc/04/85/61/777048561.db2.gz SMYFWWAVBZALQQ-NSHDSACASA-N 0 3 289.404 2.532 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001230762000 777059381 /nfs/dbraw/zinc/05/93/81/777059381.db2.gz DSCSTSLYKUEJIR-MRXNPFEDSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/CC ZINC001268929491 777075111 /nfs/dbraw/zinc/07/51/11/777075111.db2.gz BOHLTGJHHMVFAR-CJKAQPIMSA-N 0 3 262.397 2.594 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCC)C1 ZINC001268965505 777078076 /nfs/dbraw/zinc/07/80/76/777078076.db2.gz ROQOXIHTYISBST-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001269206186 777138655 /nfs/dbraw/zinc/13/86/55/777138655.db2.gz SMEIFJANGZGABI-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231094673 777139943 /nfs/dbraw/zinc/13/99/43/777139943.db2.gz IMRNIPBKXUKLTB-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)OC ZINC001231112325 777143617 /nfs/dbraw/zinc/14/36/17/777143617.db2.gz BGCQOQLPEBVQHI-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN CC(C)C#CC(=O)N(C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001269241380 777148747 /nfs/dbraw/zinc/14/87/47/777148747.db2.gz UEUAQYLZIVOVIP-AEFFLSMTSA-N 0 3 298.430 2.940 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001269249167 777149811 /nfs/dbraw/zinc/14/98/11/777149811.db2.gz QEYIFJGCRXQIPS-OLZOCXBDSA-N 0 3 288.382 2.825 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001269278419 777157354 /nfs/dbraw/zinc/15/73/54/777157354.db2.gz IQSVAXPAMQGFJY-KBPBESRZSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001269293299 777161268 /nfs/dbraw/zinc/16/12/68/777161268.db2.gz WRAUSGLISHKBAN-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001269291325 777161360 /nfs/dbraw/zinc/16/13/60/777161360.db2.gz IQSVABJJZWJIBW-GXTWGEPZSA-N 0 3 278.421 2.618 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCC)C1 ZINC001269307902 777166319 /nfs/dbraw/zinc/16/63/19/777166319.db2.gz ZHWKDKPWOHTBDG-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CCc1cccs1 ZINC001231178419 777167363 /nfs/dbraw/zinc/16/73/63/777167363.db2.gz KTMLRXGDBNZGFH-CQSZACIVSA-N 0 3 292.448 2.790 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001269333520 777172653 /nfs/dbraw/zinc/17/26/53/777172653.db2.gz XVFFFWLSOBREMU-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001269339993 777174467 /nfs/dbraw/zinc/17/44/67/777174467.db2.gz VRKNFSCBTCWJMF-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCOCC(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001231239503 777177572 /nfs/dbraw/zinc/17/75/72/777177572.db2.gz DGBMDIHLNKLVSZ-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231262953 777180414 /nfs/dbraw/zinc/18/04/14/777180414.db2.gz IMJRWZDVVVHJCU-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001231406198 777210475 /nfs/dbraw/zinc/21/04/75/777210475.db2.gz YKONGQVYJLQESS-NCOADZHNSA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCN1CCC2(CCN(C(=O)CCCCCC)C2)CC1 ZINC001269713460 777235973 /nfs/dbraw/zinc/23/59/73/777235973.db2.gz BKEOHEVPULINPC-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038408898 777267050 /nfs/dbraw/zinc/26/70/50/777267050.db2.gz JUBYJJBVKOSAMD-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN(C)Cc1n[nH]c2cc(Br)ccc21 ZINC001231613354 777280528 /nfs/dbraw/zinc/28/05/28/777280528.db2.gz NGFKMXTVNQWDGO-UHFFFAOYSA-N 0 3 280.169 2.943 20 30 CFEDHN C=CCOc1cccc(CN2CC(N3CCCCC3)C2)c1 ZINC001231625039 777283615 /nfs/dbraw/zinc/28/36/15/777283615.db2.gz KNJMZURXPKMUHQ-UHFFFAOYSA-N 0 3 286.419 2.922 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](OCC)C2)c1 ZINC001231624854 777284017 /nfs/dbraw/zinc/28/40/17/777284017.db2.gz YTPKKFIZBAWZFD-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCOc1cccc(CN2CC([C@@H](C)OC)C2)c1 ZINC001231624658 777284461 /nfs/dbraw/zinc/28/44/61/777284461.db2.gz SYJYUKBQDVQMJF-CYBMUJFWSA-N 0 3 261.365 2.718 20 30 CFEDHN C#Cc1cccc(CN2CCC(NC(=O)C3CCC3)CC2)c1 ZINC001231659035 777296977 /nfs/dbraw/zinc/29/69/77/777296977.db2.gz DPOXBJKADRARKT-UHFFFAOYSA-N 0 3 296.414 2.549 20 30 CFEDHN C#Cc1cccc(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001231657970 777297010 /nfs/dbraw/zinc/29/70/10/777297010.db2.gz PFJOTBSQCWJRQN-SJORKVTESA-N 0 3 255.361 2.669 20 30 CFEDHN C#Cc1cccc(CN2CCC(NC(=O)CC(C)C)CC2)c1 ZINC001231659942 777297921 /nfs/dbraw/zinc/29/79/21/777297921.db2.gz XMJOHRSZAWNVES-UHFFFAOYSA-N 0 3 298.430 2.795 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2cc3cc[nH]c3cn2)CC1 ZINC001231668761 777302615 /nfs/dbraw/zinc/30/26/15/777302615.db2.gz HKKKUUUWTYEMGV-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001028891273 777307376 /nfs/dbraw/zinc/30/73/76/777307376.db2.gz QHETUXHDBOGHKE-BRWVUGGUSA-N 0 3 290.451 2.520 20 30 CFEDHN C#CCN(C(=O)[C@@H](C)[C@@H](C)CC)C1CCN(CC=C)CC1 ZINC001270350867 777360104 /nfs/dbraw/zinc/36/01/04/777360104.db2.gz BZNVRIXNUUAHBZ-HOTGVXAUSA-N 0 3 290.451 2.781 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)CC(C)(C)C2CC2)CC1 ZINC001279129927 777367923 /nfs/dbraw/zinc/36/79/23/777367923.db2.gz ULIGTIOPBORNJI-AWEZNQCLSA-N 0 3 290.451 2.663 20 30 CFEDHN N#C[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC001231906738 777377478 /nfs/dbraw/zinc/37/74/78/777377478.db2.gz FPHQBHCMEBCJMS-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)C[C@@H](C)CC)C1 ZINC001270574993 777412173 /nfs/dbraw/zinc/41/21/73/777412173.db2.gz BXULCCFMCOIXCK-DZGCQCFKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001270648485 777440577 /nfs/dbraw/zinc/44/05/77/777440577.db2.gz HVEXRCYZBNCGIU-YPMHNXCESA-N 0 3 292.345 2.732 20 30 CFEDHN CCN(CCC(=O)OC)Cc1ccc(C#N)c(Cl)c1 ZINC001232118442 777447004 /nfs/dbraw/zinc/44/70/04/777447004.db2.gz MJEMDRPJPTXBHP-UHFFFAOYSA-N 0 3 280.755 2.597 20 30 CFEDHN CN(C)Cc1cc(F)cc(CN2CC[C@](C)(C#N)C2)c1 ZINC001232148966 777450706 /nfs/dbraw/zinc/45/07/06/777450706.db2.gz GRAAKYJLEHZJBX-MRXNPFEDSA-N 0 3 275.371 2.623 20 30 CFEDHN C=C[C@H](CC)CC(=O)N[C@@H]1CCN(CC#CC)CC1(C)C ZINC001281553860 777565079 /nfs/dbraw/zinc/56/50/79/777565079.db2.gz TVGYZILAKMRGTG-HZPDHXFCSA-N 0 3 290.451 2.829 20 30 CFEDHN C=CCCC(=O)N(C)[C@@H](C)CNCc1c(C)nsc1C ZINC001270914355 777602333 /nfs/dbraw/zinc/60/23/33/777602333.db2.gz OSDMFTNNLMGNLO-NSHDSACASA-N 0 3 295.452 2.663 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H](F)C(C)C)cc1 ZINC001280353883 777623397 /nfs/dbraw/zinc/62/33/97/777623397.db2.gz CYQOSOPWPIUEON-XJKSGUPXSA-N 0 3 290.382 2.581 20 30 CFEDHN SC1CCN(Cc2cncc3cnccc32)CC1 ZINC001232652234 777631504 /nfs/dbraw/zinc/63/15/04/777631504.db2.gz OOFNACRFIHXJCJ-UHFFFAOYSA-N 0 3 259.378 2.524 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087687470 777678876 /nfs/dbraw/zinc/67/88/76/777678876.db2.gz DGJYGWAMPDDWOQ-LSDHHAIUSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]1CC ZINC001087799686 777702302 /nfs/dbraw/zinc/70/23/02/777702302.db2.gz JBMLHUTXXRPVET-BHYGNILZSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1CC ZINC001087832213 777711798 /nfs/dbraw/zinc/71/17/98/777711798.db2.gz CRXIGYFCRDLWOT-JKSUJKDBSA-N 0 3 276.424 2.888 20 30 CFEDHN Cc1ccc(CN2CCN(CC(C)C)CC2)c(C#N)c1 ZINC001232963545 777741691 /nfs/dbraw/zinc/74/16/91/777741691.db2.gz IYVSZIXRDPTKCJ-UHFFFAOYSA-N 0 3 271.408 2.640 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@H](C#N)CC1 ZINC001233083171 777793970 /nfs/dbraw/zinc/79/39/70/777793970.db2.gz ZSVXDRUEWQXBGK-CQSZACIVSA-N 0 3 253.349 2.992 20 30 CFEDHN CCC(=O)N[C@@H](CNCC#Cc1ccccc1)CC(C)C ZINC001271238748 777809844 /nfs/dbraw/zinc/80/98/44/777809844.db2.gz RYKIEXCAGLBAAO-QGZVFWFLSA-N 0 3 286.419 2.569 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233537698 777983073 /nfs/dbraw/zinc/98/30/73/777983073.db2.gz DNZOXLFENUBQCH-UKRRQHHQSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H](F)CC)C1 ZINC001088361528 778028643 /nfs/dbraw/zinc/02/86/43/778028643.db2.gz YXNOBNWUUZVSHM-STQMWFEESA-N 0 3 290.810 2.848 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088359719 778033546 /nfs/dbraw/zinc/03/35/46/778033546.db2.gz FKEWJOWISFMJDS-CYBMUJFWSA-N 0 3 270.392 2.529 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCCCC[C@@H](NCCF)C2)C1 ZINC001088378284 778047790 /nfs/dbraw/zinc/04/77/90/778047790.db2.gz DMVZVTSYXYJFQW-CQSZACIVSA-N 0 3 282.403 2.673 20 30 CFEDHN C#CCCCCC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001233763232 778069632 /nfs/dbraw/zinc/06/96/32/778069632.db2.gz YLXXSXOEIYBDGZ-MRXNPFEDSA-N 0 3 296.430 2.853 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1OC1CCC([NH+](C)C)CC1 ZINC001233802497 778082608 /nfs/dbraw/zinc/08/26/08/778082608.db2.gz GTJYAFAASXOVGE-GZTJUZNOSA-N 0 3 292.379 2.755 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001234008272 778139158 /nfs/dbraw/zinc/13/91/58/778139158.db2.gz VCASNJRISOESST-ZDUSSCGKSA-N 0 3 266.344 2.786 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234038914 778149138 /nfs/dbraw/zinc/14/91/38/778149138.db2.gz GZVUYZHLORVLFI-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234098651 778165760 /nfs/dbraw/zinc/16/57/60/778165760.db2.gz FPULFHHFFKYACB-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCC[C@H](C)[N@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234108294 778167419 /nfs/dbraw/zinc/16/74/19/778167419.db2.gz SPLGBMNIRLLCDM-AWEZNQCLSA-N 0 3 290.407 2.799 20 30 CFEDHN C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234108294 778167421 /nfs/dbraw/zinc/16/74/21/778167421.db2.gz SPLGBMNIRLLCDM-AWEZNQCLSA-N 0 3 290.407 2.799 20 30 CFEDHN C=C/C(C)=C/CC(=O)N1CCC[C@@H]2[C@H]1CCN2CC#CC ZINC001272032841 778186029 /nfs/dbraw/zinc/18/60/29/778186029.db2.gz FPGUNDYPWYOVMI-DKXBRRKKSA-N 0 3 286.419 2.597 20 30 CFEDHN C[N+](C)(C)C[C@@H](CC#N)Oc1c(Cl)ccc([O-])c1F ZINC001234264867 778196122 /nfs/dbraw/zinc/19/61/22/778196122.db2.gz TWEZJVWYLKXLSO-SECBINFHSA-O 0 3 287.742 2.552 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586234 778305452 /nfs/dbraw/zinc/30/54/52/778305452.db2.gz KYBJFGJGLZVMAB-IKGGRYGDSA-N 0 3 288.435 2.725 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC001088612804 778340690 /nfs/dbraw/zinc/34/06/90/778340690.db2.gz HEJNHWUOQCGTJG-DOMZBBRYSA-N 0 3 287.407 2.661 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001272131893 778361205 /nfs/dbraw/zinc/36/12/05/778361205.db2.gz QPYNYOGMUVTGBT-KGLIPLIRSA-N 0 3 268.445 2.881 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cc(C)ccc1F ZINC001272158789 778364854 /nfs/dbraw/zinc/36/48/54/778364854.db2.gz VNHKOCUKEXRWPA-UHFFFAOYSA-N 0 3 292.398 2.643 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2cccc(N3CCOCC3)c2)C1 ZINC001235082599 778374158 /nfs/dbraw/zinc/37/41/58/778374158.db2.gz KCKHTXLBFNAVRK-INIZCTEOSA-N 0 3 299.418 2.649 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)[C@H]1C ZINC001088673589 778381594 /nfs/dbraw/zinc/38/15/94/778381594.db2.gz JGQVBALEQPIUIE-PBHICJAKSA-N 0 3 286.419 2.557 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000989630653 778420863 /nfs/dbraw/zinc/42/08/63/778420863.db2.gz VXSPEKAMLDNSDM-OCCSQVGLSA-N 0 3 288.391 2.537 20 30 CFEDHN CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CCC#N ZINC001277936370 778452930 /nfs/dbraw/zinc/45/29/30/778452930.db2.gz GNFHVFIJIITBDO-YESZJQIVSA-N 0 3 293.455 2.501 20 30 CFEDHN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2CCC#N ZINC001277936628 778454326 /nfs/dbraw/zinc/45/43/26/778454326.db2.gz NESHBQSHBBNHHS-OAGGEKHMSA-N 0 3 263.429 2.875 20 30 CFEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000127987442 778467875 /nfs/dbraw/zinc/46/78/75/778467875.db2.gz ZSYVNRWGISSHPW-ZDUSSCGKSA-N 0 3 268.272 2.549 20 30 CFEDHN CCCCCCCCCCCN1CCN[C@@H](C(=O)OC)C1 ZINC001235441547 778491828 /nfs/dbraw/zinc/49/18/28/778491828.db2.gz FZNRVKPIBSGCIK-MRXNPFEDSA-N 0 3 298.471 2.964 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC001088806623 778507196 /nfs/dbraw/zinc/50/71/96/778507196.db2.gz QRZIIHBCELWASA-OCCSQVGLSA-N 0 3 264.413 2.578 20 30 CFEDHN N#CCc1ccccc1CN1CCC[C@@]2(CCO2)C1 ZINC001235526577 778511438 /nfs/dbraw/zinc/51/14/38/778511438.db2.gz DVVLFEIKYJFQNT-MRXNPFEDSA-N 0 3 256.349 2.508 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001235527718 778513243 /nfs/dbraw/zinc/51/32/43/778513243.db2.gz LAKJGGHQMZBBHJ-SFHVURJKSA-N 0 3 293.370 2.801 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)[C@@H]2C1 ZINC001076078378 778564291 /nfs/dbraw/zinc/56/42/91/778564291.db2.gz ZKZWFDRFUQTIHA-BQJWPVKWSA-N 0 3 288.435 2.531 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCN[C@H](c3ccccc3)C2)c1 ZINC001235854537 778581732 /nfs/dbraw/zinc/58/17/32/778581732.db2.gz QKHKOWFVPXNMPQ-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C1CC1 ZINC000128666647 778584861 /nfs/dbraw/zinc/58/48/61/778584861.db2.gz DSVWOEDEKRUGPY-AWEZNQCLSA-N 0 3 278.311 2.897 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001076447199 778589998 /nfs/dbraw/zinc/58/99/98/778589998.db2.gz VUNOELDHGSWEHN-CWRNSKLLSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001076482438 778591073 /nfs/dbraw/zinc/59/10/73/778591073.db2.gz KTBOLJSQVSADAM-BPQIPLTHSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC001076597351 778597819 /nfs/dbraw/zinc/59/78/19/778597819.db2.gz BKVIQEIIZLWWLD-ZWKOTPCHSA-N 0 3 296.414 2.896 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)Cc1cc2c(cc1O)OCO2 ZINC000046477135 778838274 /nfs/dbraw/zinc/83/82/74/778838274.db2.gz YOMXXUZJYFESBO-UHFFFAOYSA-N 0 3 296.326 2.625 20 30 CFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000129875229 778871107 /nfs/dbraw/zinc/87/11/07/778871107.db2.gz XBNCHVNQTDSJCF-CHWSQXEVSA-N 0 3 298.342 2.699 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2F)[C@H]1C ZINC001088929155 778950837 /nfs/dbraw/zinc/95/08/37/778950837.db2.gz LRLHVNZHWYEGMB-IOASZLSFSA-N 0 3 290.382 2.694 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970677 778963467 /nfs/dbraw/zinc/96/34/67/778963467.db2.gz KLEHLHZYTKHSHT-NFAWXSAZSA-N 0 3 264.413 2.578 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC001089017248 778974275 /nfs/dbraw/zinc/97/42/75/778974275.db2.gz VDLRJJLEOUWQGP-CJNGLKHVSA-N 0 3 290.382 2.523 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H]1C ZINC001089021285 778975350 /nfs/dbraw/zinc/97/53/50/778975350.db2.gz FNCVXDWOFTVDCI-KDOFPFPSSA-N 0 3 298.430 2.944 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)CCC2CCCC2)CC1 ZINC001278024014 778976906 /nfs/dbraw/zinc/97/69/06/778976906.db2.gz RBPCAVHJAJYRBR-UHFFFAOYSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045606 778981097 /nfs/dbraw/zinc/98/10/97/778981097.db2.gz ZAVYYXWKKABMPX-ZBFHGGJFSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001272330937 779042466 /nfs/dbraw/zinc/04/24/66/779042466.db2.gz ZFTRMCVZXNDTLW-ZDUSSCGKSA-N 0 3 284.831 2.757 20 30 CFEDHN C#CCOc1ccc(CN2CCNC3=CCCC[C@@H]32)cc1 ZINC001237226528 779055257 /nfs/dbraw/zinc/05/52/57/779055257.db2.gz XNUFDPGGTKWAMP-SFHVURJKSA-N 0 3 282.387 2.540 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cccs2)C1 ZINC001272347306 779058997 /nfs/dbraw/zinc/05/89/97/779058997.db2.gz KQPJEDGVSSVNNN-LBPRGKRZSA-N 0 3 298.839 2.942 20 30 CFEDHN CN1CC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233658632 779065733 /nfs/dbraw/zinc/06/57/33/779065733.db2.gz OOLAQGRUBVFKQE-NSHDSACASA-N 0 3 270.254 2.660 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233732384 779077706 /nfs/dbraw/zinc/07/77/06/779077706.db2.gz QRESQYFWVFZSNS-UONOGXRCSA-N 0 3 284.469 2.627 20 30 CFEDHN CC(C)N1CCN(Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237467049 779115311 /nfs/dbraw/zinc/11/53/11/779115311.db2.gz RAAZPLLXVPUHJN-UHFFFAOYSA-N 0 3 296.418 2.576 20 30 CFEDHN COC(=O)Cc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC001237488364 779118878 /nfs/dbraw/zinc/11/88/78/779118878.db2.gz QETQRYUJIQTSOB-UHFFFAOYSA-N 0 3 286.375 2.528 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCc2c1cccc2C ZINC001121872353 779120749 /nfs/dbraw/zinc/12/07/49/779120749.db2.gz JAWDXROPDXMZBF-HOTGVXAUSA-N 0 3 272.392 2.782 20 30 CFEDHN C#CCN(C(=O)C(C)(F)F)C1CCN(CC=C(C)C)CC1 ZINC001278107683 779123361 /nfs/dbraw/zinc/12/33/61/779123361.db2.gz ZHAKFSZETKKXDY-UHFFFAOYSA-N 0 3 298.377 2.534 20 30 CFEDHN CC[C@@H]1CCCN1Cc1cn2cc(C#N)ccc2n1 ZINC001237607891 779141560 /nfs/dbraw/zinc/14/15/60/779141560.db2.gz AHXVXQVJUJVOMO-CQSZACIVSA-N 0 3 254.337 2.580 20 30 CFEDHN CN(C)/C=N/c1ccc(NC[C@H]2CC(C)(C)O2)cc1C#N ZINC001168461185 779203201 /nfs/dbraw/zinc/20/32/01/779203201.db2.gz RGZNMVOSVXBWCH-HIPSJFSSSA-N 0 3 286.379 2.759 20 30 CFEDHN O=C1C=C2CN(Cc3c(F)ccnc3Cl)CCC2S1 ZINC001238230441 779285599 /nfs/dbraw/zinc/28/55/99/779285599.db2.gz UPZHXABYVXVNTN-NSHDSACASA-N 0 3 298.770 2.648 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1COC[C@H]1CC ZINC000699532271 779289579 /nfs/dbraw/zinc/28/95/79/779289579.db2.gz DGERAGSDQUNSMK-HIFRSBDPSA-N 0 3 261.365 2.766 20 30 CFEDHN COc1cc(CN2CCC3(CCCO3)CC2)ccc1C#N ZINC001238409128 779307910 /nfs/dbraw/zinc/30/79/10/779307910.db2.gz ILMPCMOXGZRQOU-UHFFFAOYSA-N 0 3 286.375 2.712 20 30 CFEDHN COc1cc(CN2CCC3(CCOC3)CC2)ccc1C#N ZINC001238414460 779308498 /nfs/dbraw/zinc/30/84/98/779308498.db2.gz TVRCTQJHMCCDIM-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCCCC#N ZINC001123233311 779363050 /nfs/dbraw/zinc/36/30/50/779363050.db2.gz IXICZOGTQBIFNN-SNVBAGLBSA-N 0 3 278.743 2.724 20 30 CFEDHN CCc1cc(CN2CCC[C@H](C(C)=O)C2)ccc1C#N ZINC001238777863 779391471 /nfs/dbraw/zinc/39/14/71/779391471.db2.gz JOSMOAWEMHTFAS-KRWDZBQOSA-N 0 3 270.376 2.922 20 30 CFEDHN CC[NH+](CC)CCn1cc(-c2cccc(/C=N/[O-])c2)cn1 ZINC001239209835 779473432 /nfs/dbraw/zinc/47/34/32/779473432.db2.gz UWUZMXMSKSVMBI-WOJGMQOQSA-N 0 3 286.379 2.700 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCC2)CC(C)(C)C1 ZINC001089455867 779481326 /nfs/dbraw/zinc/48/13/26/779481326.db2.gz AIUIPRAIMWBXFP-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C[C@@H](C(=O)N(CC)[C@@H]1CCN(C)C1)c1ccccc1 ZINC001123923387 779503122 /nfs/dbraw/zinc/50/31/22/779503122.db2.gz BOPJSOJHKYAUNS-HZPDHXFCSA-N 0 3 272.392 2.509 20 30 CFEDHN C=C(C)CN(C)Cc1ccccc1CNC(=O)c1cc[nH]c1 ZINC001272669692 779508698 /nfs/dbraw/zinc/50/86/98/779508698.db2.gz GEZONBAANVGLJN-UHFFFAOYSA-N 0 3 297.402 2.953 20 30 CFEDHN CC#CCN1CCC([C@@H]2CCCN(C(=O)CCC)C2)CC1 ZINC001047218602 779531827 /nfs/dbraw/zinc/53/18/27/779531827.db2.gz DUIXSCVZUPMWEG-QGZVFWFLSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089702028 779573007 /nfs/dbraw/zinc/57/30/07/779573007.db2.gz SZCAHFQJKQLNGX-KGLIPLIRSA-N 0 3 276.424 2.579 20 30 CFEDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001236812013 779642079 /nfs/dbraw/zinc/64/20/79/779642079.db2.gz XVBRMOGMJHLIDY-ZDUSSCGKSA-N 0 3 274.364 2.835 20 30 CFEDHN COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)c([O-])c1 ZINC001236812013 779642081 /nfs/dbraw/zinc/64/20/81/779642081.db2.gz XVBRMOGMJHLIDY-ZDUSSCGKSA-N 0 3 274.364 2.835 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C=C1CCCCC1 ZINC001032305701 779827416 /nfs/dbraw/zinc/82/74/16/779827416.db2.gz CIQNQIGVJUWENL-HOTGVXAUSA-N 0 3 274.408 2.738 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032388573 779917801 /nfs/dbraw/zinc/91/78/01/779917801.db2.gz VFOJVQKJZLUDOE-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(C)C ZINC001032476656 779969730 /nfs/dbraw/zinc/96/97/30/779969730.db2.gz RLZHZJKEENZDDC-RDBSUJKOSA-N 0 3 264.413 2.530 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001032546638 780025436 /nfs/dbraw/zinc/02/54/36/780025436.db2.gz BVARCWKRXQZSGZ-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032605946 780066653 /nfs/dbraw/zinc/06/66/53/780066653.db2.gz KISWYHICDHQJLC-YQQAZPJKSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCCC2 ZINC001032615424 780076984 /nfs/dbraw/zinc/07/69/84/780076984.db2.gz UJGYRRFMNRMWMY-MUQADHOPSA-N 0 3 288.435 2.818 20 30 CFEDHN C[C@@]1(C(=O)NCCNCc2cccc(C#N)c2)CC=CCC1 ZINC001128114002 780190502 /nfs/dbraw/zinc/19/05/02/780190502.db2.gz VAWDJNDBJBGUPI-GOSISDBHSA-N 0 3 297.402 2.510 20 30 CFEDHN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049655375 780195490 /nfs/dbraw/zinc/19/54/90/780195490.db2.gz PIZMGTXFZPJNOY-CABCVRRESA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1C ZINC001032795834 780244673 /nfs/dbraw/zinc/24/46/73/780244673.db2.gz PDNQAXMGGPUNJJ-IKGGRYGDSA-N 0 3 298.430 2.960 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C=C)c1ccccc1 ZINC001032797334 780251086 /nfs/dbraw/zinc/25/10/86/780251086.db2.gz OZMDAGZOSBHKIH-BZSNNMDCSA-N 0 3 296.414 2.817 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCCC2)C12CCC2 ZINC001078527422 780266804 /nfs/dbraw/zinc/26/68/04/780266804.db2.gz XWHVWLQESCEHEG-KBPBESRZSA-N 0 3 296.842 2.946 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001032811472 780280989 /nfs/dbraw/zinc/28/09/89/780280989.db2.gz BJJNCOYZLSEVOT-CKUJCDMFSA-N 0 3 290.451 2.920 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(C)CC2)C12CCC2 ZINC001078632248 780285643 /nfs/dbraw/zinc/28/56/43/780285643.db2.gz NSUZVTWCCRTYQO-NEPJUHHUSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C(C)(C)C)C12CCC2 ZINC001078788350 780308918 /nfs/dbraw/zinc/30/89/18/780308918.db2.gz GDKQEVROVHSXRS-NWDGAFQWSA-N 0 3 284.831 2.802 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000131767397 780324758 /nfs/dbraw/zinc/32/47/58/780324758.db2.gz WVOPGTGGIIXWTL-ZDUSSCGKSA-N 0 3 298.298 2.558 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2occc2C)cc1 ZINC000131767216 780324835 /nfs/dbraw/zinc/32/48/35/780324835.db2.gz WVOPGTGGIIXWTL-CYBMUJFWSA-N 0 3 298.298 2.558 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2cccc(C)c2C)CC1 ZINC001002098101 780334938 /nfs/dbraw/zinc/33/49/38/780334938.db2.gz GDVBWDNOQPEKTQ-UHFFFAOYSA-N 0 3 298.430 2.769 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)NCCNCc1cccc(F)c1 ZINC001128184286 780354682 /nfs/dbraw/zinc/35/46/82/780354682.db2.gz FDEYCSGBMYKRRG-UHFFFAOYSA-N 0 3 298.789 2.810 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CCNCc1ocnc1C ZINC001273002073 780471521 /nfs/dbraw/zinc/47/15/21/780471521.db2.gz RKLQGNFMWJJCCR-MLGOLLRUSA-N 0 3 293.411 2.570 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)=C2CCC2)C1 ZINC001033065177 780552365 /nfs/dbraw/zinc/55/23/65/780552365.db2.gz DTIRTRLGZYEVBC-HNNXBMFYSA-N 0 3 262.397 2.596 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033133687 780577075 /nfs/dbraw/zinc/57/70/75/780577075.db2.gz KHGOQTUKUQFZGZ-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033238557 780626094 /nfs/dbraw/zinc/62/60/94/780626094.db2.gz QWDISCMMORFSHC-CQSZACIVSA-N 0 3 290.432 2.535 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccccc32)C1 ZINC001033238105 780627487 /nfs/dbraw/zinc/62/74/87/780627487.db2.gz SLUNHPZYXXHITD-ZDUSSCGKSA-N 0 3 283.375 2.500 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001033280072 780639129 /nfs/dbraw/zinc/63/91/29/780639129.db2.gz ZYPKHUCAVZXUOC-XHSDSOJGSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2nccc3occc32)C1 ZINC001033284662 780640543 /nfs/dbraw/zinc/64/05/43/780640543.db2.gz CFDOXGXCJWNXQQ-ZDUSSCGKSA-N 0 3 299.374 2.550 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2cccc(C)c2)C1 ZINC001033379980 780667489 /nfs/dbraw/zinc/66/74/89/780667489.db2.gz OJMWYLIFUWGOMO-QGZVFWFLSA-N 0 3 286.419 2.646 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033377389 780669318 /nfs/dbraw/zinc/66/93/18/780669318.db2.gz AQRLUVJHJMRIQM-MRXNPFEDSA-N 0 3 297.402 2.890 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033557616 780713772 /nfs/dbraw/zinc/71/37/72/780713772.db2.gz IQBSXILEHQCRTC-SFHVURJKSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033609366 780730383 /nfs/dbraw/zinc/73/03/83/780730383.db2.gz LRPONPLPEXTDHJ-ZDUSSCGKSA-N 0 3 290.794 2.510 20 30 CFEDHN CN1CC=C(c2ccccc2C2(C#N)CCOCC2)CC1 ZINC001241331860 780785870 /nfs/dbraw/zinc/78/58/70/780785870.db2.gz BIOQLDRRWPWPQO-UHFFFAOYSA-N 0 3 282.387 2.977 20 30 CFEDHN CN1CC=C(c2cccc3sc(C#N)nc32)CC1 ZINC001241333325 780788296 /nfs/dbraw/zinc/78/82/96/780788296.db2.gz QOPKMYLYEUVNGT-UHFFFAOYSA-N 0 3 255.346 2.887 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001034000543 780853112 /nfs/dbraw/zinc/85/31/12/780853112.db2.gz QUBSDGMJMRIRBS-ZDUSSCGKSA-N 0 3 293.436 2.646 20 30 CFEDHN COc1ccc(-c2ccc(C#N)nc2)cc1CN(C)C ZINC001241431994 780877862 /nfs/dbraw/zinc/87/78/62/780877862.db2.gz XTOYQTGVTSILNY-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001034083540 780885067 /nfs/dbraw/zinc/88/50/67/780885067.db2.gz DNKGNROQZBGREX-AWEZNQCLSA-N 0 3 276.380 2.748 20 30 CFEDHN CN(C)/C=C/c1ccncc1-c1ccc(C#N)nc1 ZINC001241438271 780885361 /nfs/dbraw/zinc/88/53/61/780885361.db2.gz PSLLPPWQFMBUAM-SOFGYWHQSA-N 0 3 250.305 2.548 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034095092 780891509 /nfs/dbraw/zinc/89/15/09/780891509.db2.gz JTROBRSGXGDHEM-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN1CCCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001034121096 780897899 /nfs/dbraw/zinc/89/78/99/780897899.db2.gz HRNFOAHFGWZRGT-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ncccc2C)C1 ZINC001034150616 780908590 /nfs/dbraw/zinc/90/85/90/780908590.db2.gz ROPQVWZPDTVFHW-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226954 780926047 /nfs/dbraw/zinc/92/60/47/780926047.db2.gz WEGLNYDTLRKVAE-RDJZCZTQSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226952 780926453 /nfs/dbraw/zinc/92/64/53/780926453.db2.gz WEGLNYDTLRKVAE-NVXWUHKLSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034406996 780965230 /nfs/dbraw/zinc/96/52/30/780965230.db2.gz VETDMIJZWBEIOM-RBSFLKMASA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034397140 780967122 /nfs/dbraw/zinc/96/71/22/780967122.db2.gz GKGKQVHGJBTABA-UONOGXRCSA-N 0 3 276.380 2.540 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034499988 780989345 /nfs/dbraw/zinc/98/93/45/780989345.db2.gz YXIHFGJTPWWVGH-BZUAXINKSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001034519371 780993188 /nfs/dbraw/zinc/99/31/88/780993188.db2.gz IWASJLJQPPGJHC-GOSISDBHSA-N 0 3 298.430 2.946 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)c2cccc(C)c2C)CC1 ZINC001045633463 781095354 /nfs/dbraw/zinc/09/53/54/781095354.db2.gz CBWLDAHGGPCIQL-UHFFFAOYSA-N 0 3 298.430 2.911 20 30 CFEDHN CCN1CCN(c2ccc(-c3ncccc3C#N)cc2)CC1 ZINC001241737252 781104331 /nfs/dbraw/zinc/10/43/31/781104331.db2.gz DINLTOVMCGEVGB-UHFFFAOYSA-N 0 3 292.386 2.762 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC(C)C)CC2 ZINC001035639442 781153690 /nfs/dbraw/zinc/15/36/90/781153690.db2.gz HSVPPLCRYZOWTR-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1coc(C)c1)CC2 ZINC001035693762 781159137 /nfs/dbraw/zinc/15/91/37/781159137.db2.gz IFXAQYLZBBHIOX-UHFFFAOYSA-N 0 3 288.391 2.702 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C3CC3)CC1)CC2 ZINC001035729448 781161454 /nfs/dbraw/zinc/16/14/54/781161454.db2.gz VIQFZRGTIYAFQW-UHFFFAOYSA-N 0 3 288.435 2.677 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC1(F)F)CC2 ZINC001035729700 781162034 /nfs/dbraw/zinc/16/20/34/781162034.db2.gz RSNCLOMLPYEJLB-CYBMUJFWSA-N 0 3 298.377 2.532 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C(C)(C)C(=C)C)CC2 ZINC001035766473 781164979 /nfs/dbraw/zinc/16/49/79/781164979.db2.gz IMENVGJXSGLCIJ-UHFFFAOYSA-N 0 3 288.435 2.536 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@]1(C)C=CCC1)CC2 ZINC001035766922 781165434 /nfs/dbraw/zinc/16/54/34/781165434.db2.gz WFTVQBCPOOUURJ-KRWDZBQOSA-N 0 3 288.435 2.843 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC001035842055 781177579 /nfs/dbraw/zinc/17/75/79/781177579.db2.gz BGHYGZQTQJWXDN-UHFFFAOYSA-N 0 3 296.414 2.556 20 30 CFEDHN C#Cc1cccc(-c2cc(CN(C)CCOC)ccn2)c1 ZINC001241918563 781181852 /nfs/dbraw/zinc/18/18/52/781181852.db2.gz BZGLYQSZBXYHIC-UHFFFAOYSA-N 0 3 280.371 2.808 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079484423 781598940 /nfs/dbraw/zinc/59/89/40/781598940.db2.gz LPYVXMWPMQBLKB-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079552330 781604479 /nfs/dbraw/zinc/60/44/79/781604479.db2.gz ZEHJEMKCMJBJHI-CZUORRHYSA-N 0 3 276.424 2.890 20 30 CFEDHN N#Cc1cc(F)ccc1-c1ccc2c(c1)COC21CNC1 ZINC001242584752 781617490 /nfs/dbraw/zinc/61/74/90/781617490.db2.gz SBNGBJPBPOGVFF-UHFFFAOYSA-N 0 3 280.302 2.693 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080315627 781650899 /nfs/dbraw/zinc/65/08/99/781650899.db2.gz AEOKIZVEIIIUQR-UKRRQHHQSA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCNC1(CNC(=O)C(C)(C)CCCCC)CCC1 ZINC001273201821 781661720 /nfs/dbraw/zinc/66/17/20/781661720.db2.gz PECDZHGXVZUOSV-UHFFFAOYSA-N 0 3 278.440 2.855 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001080486564 781663165 /nfs/dbraw/zinc/66/31/65/781663165.db2.gz PYHYIVGJBNQDEX-CXAGYDPISA-N 0 3 297.402 2.794 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001080575430 781669031 /nfs/dbraw/zinc/66/90/31/781669031.db2.gz VUPOFZYLOSMGIH-ZYHUDNBSSA-N 0 3 298.839 2.567 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001080627694 781673279 /nfs/dbraw/zinc/67/32/79/781673279.db2.gz KGAFLMAQBKFPLE-AXAPSJFSSA-N 0 3 290.407 2.622 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815336 781678009 /nfs/dbraw/zinc/67/80/09/781678009.db2.gz MPOQVUKWGKPGOR-KLHDSHLOSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001081016468 781695536 /nfs/dbraw/zinc/69/55/36/781695536.db2.gz NTAAFGNLIRMGBT-QLFBSQMISA-N 0 3 278.440 2.825 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@H]2CCCC[C@@H]2C)CCC1 ZINC001273208122 781750419 /nfs/dbraw/zinc/75/04/19/781750419.db2.gz JMHPIGRBCCMZDB-JKSUJKDBSA-N 0 3 290.451 2.855 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001084262357 781784258 /nfs/dbraw/zinc/78/42/58/781784258.db2.gz UXDDXOYHNFUDJI-UKRRQHHQSA-N 0 3 290.432 2.779 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001084277934 781786688 /nfs/dbraw/zinc/78/66/88/781786688.db2.gz CSQUIPVXEUYPLD-HUUCEWRRSA-N 0 3 292.398 2.893 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3CC(F)(F)C3)[C@@H]2C1 ZINC001084462186 781794961 /nfs/dbraw/zinc/79/49/61/781794961.db2.gz BRAPFKINLVIVMN-ZIAGYGMSSA-N 0 3 298.377 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001084447411 781795195 /nfs/dbraw/zinc/79/51/95/781795195.db2.gz MKHJPCGYQPBRKO-OWCLPIDISA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001084756271 781830953 /nfs/dbraw/zinc/83/09/53/781830953.db2.gz NJNFDKMJDNSKLF-HUUCEWRRSA-N 0 3 294.414 2.768 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001098923121 781846600 /nfs/dbraw/zinc/84/66/00/781846600.db2.gz YTNDVIFXKICYHJ-ZIAGYGMSSA-N 0 3 298.496 2.921 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)SC ZINC001098923119 781847948 /nfs/dbraw/zinc/84/79/48/781847948.db2.gz YTNDVIFXKICYHJ-KGLIPLIRSA-N 0 3 298.496 2.921 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001230677390 781867448 /nfs/dbraw/zinc/86/74/48/781867448.db2.gz ZENQHTMXMXVWMO-HZPDHXFCSA-N 0 3 296.455 2.669 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCC ZINC001230855050 781875145 /nfs/dbraw/zinc/87/51/45/781875145.db2.gz GXVGPGNFILOFEZ-HOTGVXAUSA-N 0 3 298.471 2.915 20 30 CFEDHN C[C@H](C#N)OCCN1CCc2ccsc2[C@H]1C ZINC000712277776 781886757 /nfs/dbraw/zinc/88/67/57/781886757.db2.gz NPINRVJMNQQQSN-GHMZBOCLSA-N 0 3 250.367 2.596 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C[C@@H]21 ZINC001085079137 781900007 /nfs/dbraw/zinc/90/00/07/781900007.db2.gz LCHQEQBYGILGHV-NXHRZFHOSA-N 0 3 298.430 2.899 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCc3ccccc3NC2=O)C1 ZINC000594511397 349435458 /nfs/dbraw/zinc/43/54/58/349435458.db2.gz MUSBMMWVODRDDZ-IVMMDQJWSA-N 0 3 283.375 2.612 20 30 CFEDHN CC(C)(C#N)c1ccc(CNCC2=CCOCC2)cc1 ZINC000594520624 349440993 /nfs/dbraw/zinc/44/09/93/349440993.db2.gz MAGODRQJQGJZGG-UHFFFAOYSA-N 0 3 270.376 2.924 20 30 CFEDHN CCC(C)(C)N1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000594594190 349454523 /nfs/dbraw/zinc/45/45/23/349454523.db2.gz KXMZBHUEBIIYNA-UHFFFAOYSA-N 0 3 292.814 2.917 20 30 CFEDHN Cc1cc(C#N)cc(N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594602616 349458984 /nfs/dbraw/zinc/45/89/84/349458984.db2.gz RENSNGYBSBCITN-GJZGRUSLSA-N 0 3 270.380 2.691 20 30 CFEDHN CCC(C)(C)N1CCN(Cc2cc(C#N)cs2)CC1 ZINC000594614362 349464167 /nfs/dbraw/zinc/46/41/67/349464167.db2.gz VNXBEZGYFVWXSJ-UHFFFAOYSA-N 0 3 277.437 2.926 20 30 CFEDHN N#CCc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1 ZINC000594628730 349466885 /nfs/dbraw/zinc/46/68/85/349466885.db2.gz FDQQANVWOMAICB-UHFFFAOYSA-N 0 3 297.402 2.501 20 30 CFEDHN Cn1ccnc1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594744385 349486389 /nfs/dbraw/zinc/48/63/89/349486389.db2.gz ZQYJGYPYDAYXTN-UHFFFAOYSA-N 0 3 252.321 2.587 20 30 CFEDHN C[C@H](CC#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000594733713 349483213 /nfs/dbraw/zinc/48/32/13/349483213.db2.gz COXKTYSUXHNHEI-LLVKDONJSA-N 0 3 270.336 2.815 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594927100 349512326 /nfs/dbraw/zinc/51/23/26/349512326.db2.gz UQPPXVFNFJWFFF-YUELXQCFSA-N 0 3 289.375 2.539 20 30 CFEDHN N#CCC1(CNCc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000594937518 349518491 /nfs/dbraw/zinc/51/84/91/349518491.db2.gz PTFJTUHFALHDNH-INIZCTEOSA-N 0 3 286.375 2.638 20 30 CFEDHN COCC1(NCc2ccc(C#N)s2)CCCC1 ZINC000594950863 349525220 /nfs/dbraw/zinc/52/52/20/349525220.db2.gz JUCRGAZYAVGKPB-UHFFFAOYSA-N 0 3 250.367 2.669 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)cc1F)c1ccccn1 ZINC000594956843 349528647 /nfs/dbraw/zinc/52/86/47/349528647.db2.gz VCJSWVXOZIJOBO-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C1(CO)CC1 ZINC000594969914 349535028 /nfs/dbraw/zinc/53/50/28/349535028.db2.gz SUVZOMBSPJJTOX-JTQLQIEISA-N 0 3 298.308 2.828 20 30 CFEDHN C[C@@H]1C[C@H](NCC2(C#N)CCCCC2)CN1C1CC1 ZINC000594981463 349537768 /nfs/dbraw/zinc/53/77/68/349537768.db2.gz QRPLSAXPQUGAAM-KGLIPLIRSA-N 0 3 261.413 2.675 20 30 CFEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)s2)O1 ZINC000594987099 349540265 /nfs/dbraw/zinc/54/02/65/349540265.db2.gz WIUWUYAWKMGROM-MNOVXSKESA-N 0 3 250.367 2.667 20 30 CFEDHN CO[C@@]1(C)C[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000594994997 349542065 /nfs/dbraw/zinc/54/20/65/349542065.db2.gz JSDJBTYJFDTHNV-CVEARBPZSA-N 0 3 274.364 2.636 20 30 CFEDHN CC[C@H]1CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000125167028 187173096 /nfs/dbraw/zinc/17/30/96/187173096.db2.gz URLPHPIZVORXJV-ZDUSSCGKSA-N 0 3 274.364 2.678 20 30 CFEDHN CCO[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000595069368 349573265 /nfs/dbraw/zinc/57/32/65/349573265.db2.gz ROJGWAAKTCBVIM-DRZSPHRISA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H](N[C@H]1COC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000595048751 349564060 /nfs/dbraw/zinc/56/40/60/349564060.db2.gz MMXSSHRLBZCXAZ-GXFFZTMASA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H]1C[C@@H](NCCc2ccc(C#N)cc2)c2nccn21 ZINC000595055202 349566620 /nfs/dbraw/zinc/56/66/20/349566620.db2.gz APORFIRCFASIHP-SWLSCSKDSA-N 0 3 266.348 2.593 20 30 CFEDHN C[C@H](N[C@H](CO)C1CCC1)c1ccc(C#N)cc1F ZINC000595057551 349569797 /nfs/dbraw/zinc/56/97/97/349569797.db2.gz ZOOVSBCDAVDBAO-ZUZCIYMTSA-N 0 3 262.328 2.509 20 30 CFEDHN C=CCCSCCN[C@@H](C)c1nccnc1C ZINC000595061277 349571420 /nfs/dbraw/zinc/57/14/20/349571420.db2.gz ZYAHALSIGKDVTL-LBPRGKRZSA-N 0 3 251.399 2.745 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1COC2(CCC2)C1 ZINC000595039133 349560314 /nfs/dbraw/zinc/56/03/14/349560314.db2.gz CXDJCQGZYVJBCE-GOEBONIOSA-N 0 3 268.360 2.847 20 30 CFEDHN COC1([C@@H](C)NCC2(C#N)CCCCC2)CCOCC1 ZINC000595091068 349578393 /nfs/dbraw/zinc/57/83/93/349578393.db2.gz MWWQHFDTYRXBMF-CQSZACIVSA-N 0 3 280.412 2.634 20 30 CFEDHN CC(C)[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1F ZINC000595254928 349587820 /nfs/dbraw/zinc/58/78/20/349587820.db2.gz DLINSLZSWJPWQQ-HUUCEWRRSA-N 0 3 291.370 2.660 20 30 CFEDHN C[C@@H]1[C@H](C)SCCN1CCc1ccc(C#N)cc1 ZINC000595323488 349602509 /nfs/dbraw/zinc/60/25/09/349602509.db2.gz YWRBDYOEWCNECV-OLZOCXBDSA-N 0 3 260.406 2.927 20 30 CFEDHN CC1(C)C[C@H](N2CCCN(c3ccccc3C#N)CC2)CO1 ZINC000595299623 349596247 /nfs/dbraw/zinc/59/62/47/349596247.db2.gz WMECIGLDZGQOFQ-INIZCTEOSA-N 0 3 299.418 2.638 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CCCC[C@H]2C)CC1 ZINC000595397461 349616224 /nfs/dbraw/zinc/61/62/24/349616224.db2.gz IUBVEWOFECGVSF-IKGGRYGDSA-N 0 3 277.456 2.978 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@@H](C(F)F)C2)cc1 ZINC000595403901 349616812 /nfs/dbraw/zinc/61/68/12/349616812.db2.gz NDRLWGZEBSRFNA-CYBMUJFWSA-N 0 3 250.292 2.688 20 30 CFEDHN CO[C@H](CNC1(c2cccc(C#N)c2)CC1)C1CCC1 ZINC000595418035 349619860 /nfs/dbraw/zinc/61/98/60/349619860.db2.gz NJYYQBOEIJOGGV-MRXNPFEDSA-N 0 3 270.376 2.952 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)cc2)CCO[C@@H]1C1CC1 ZINC000273115677 192047431 /nfs/dbraw/zinc/04/74/31/192047431.db2.gz YLMYBKBPDOISTJ-CVEARBPZSA-N 0 3 256.349 2.605 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2CCCC)CC1 ZINC000068708577 346865726 /nfs/dbraw/zinc/86/57/26/346865726.db2.gz QZVDYNZJOBICEU-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN CC[C@H](CC#N)NCC[C@@H]1Sc2ccccc2NC1=O ZINC000595530264 349652437 /nfs/dbraw/zinc/65/24/37/349652437.db2.gz QMKBBFALVYZFLT-RISCZKNCSA-N 0 3 289.404 2.771 20 30 CFEDHN N#CC1(NC(=O)CN2CCCC3(CCCC3)CC2)CCC1 ZINC000595641097 349686538 /nfs/dbraw/zinc/68/65/38/349686538.db2.gz APQSWKIPYDUCEC-UHFFFAOYSA-N 0 3 289.423 2.595 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000595622453 349680843 /nfs/dbraw/zinc/68/08/43/349680843.db2.gz ATIBVBDVDRTVOE-XJKSGUPXSA-N 0 3 292.810 2.869 20 30 CFEDHN C[C@@]1(C2CC2)CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000595624995 349682039 /nfs/dbraw/zinc/68/20/39/349682039.db2.gz INGHORBSRJRYLA-INIZCTEOSA-N 0 3 292.423 2.588 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](C)[C@H]1CCO ZINC000595692991 349703778 /nfs/dbraw/zinc/70/37/78/349703778.db2.gz CONFYVDAZPMTHO-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1CCCN(Cc2ccccc2C#N)[C@@H]1CCO ZINC000595692998 349703901 /nfs/dbraw/zinc/70/39/01/349703901.db2.gz CTGJTZJAOGFHNH-CZUORRHYSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000595670319 349695534 /nfs/dbraw/zinc/69/55/34/349695534.db2.gz BKONDUNFSNMTKI-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000595670585 349695625 /nfs/dbraw/zinc/69/56/25/349695625.db2.gz FFJUOPZULTXPIU-CJNGLKHVSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000595671395 349695908 /nfs/dbraw/zinc/69/59/08/349695908.db2.gz FQTFVENHSGIEGL-DOMZBBRYSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCCN[C@H](CO)c1cccc(Br)c1 ZINC000273145573 192056928 /nfs/dbraw/zinc/05/69/28/192056928.db2.gz VROJMCCYXULTPE-GFCCVEGCSA-N 0 3 270.170 2.648 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595743363 349721502 /nfs/dbraw/zinc/72/15/02/349721502.db2.gz MXTILLWWCZKNJF-JHJVBQTASA-N 0 3 258.365 2.568 20 30 CFEDHN CC#CCN1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595716394 349714739 /nfs/dbraw/zinc/71/47/39/349714739.db2.gz FWOBYCFOEMNSLN-UHFFFAOYSA-N 0 3 265.397 2.844 20 30 CFEDHN C[C@@H](NC[C@H](C#N)CCC#N)C1CCC(F)CC1 ZINC000595818778 349741647 /nfs/dbraw/zinc/74/16/47/349741647.db2.gz IZXCWOKILNRHBK-KBHBFKLGSA-N 0 3 251.349 2.936 20 30 CFEDHN C[C@H](NCc1ccncc1C#N)C1CCC(F)CC1 ZINC000595822308 349741997 /nfs/dbraw/zinc/74/19/97/349741997.db2.gz QHIIXOYPHIDTNS-BZUNDVKYSA-N 0 3 261.344 2.960 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000595829101 349744735 /nfs/dbraw/zinc/74/47/35/349744735.db2.gz WEKOZBIBKNQOPR-HOCLYGCPSA-N 0 3 257.381 2.889 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000595781276 349731753 /nfs/dbraw/zinc/73/17/53/349731753.db2.gz CFKOANYPDJOWBD-HUUCEWRRSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H]1CC1(C)C ZINC000595913828 349767301 /nfs/dbraw/zinc/76/73/01/349767301.db2.gz VMXLMCOMRXNBEG-GXTWGEPZSA-N 0 3 285.391 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](CC(C)C)C(=O)OC ZINC000595845714 349754036 /nfs/dbraw/zinc/75/40/36/349754036.db2.gz VANZBWWJEMKQDU-MJBXVCDLSA-N 0 3 251.370 2.757 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595849158 349754820 /nfs/dbraw/zinc/75/48/20/349754820.db2.gz GOHPRLYVFDNKBU-KRWDZBQOSA-N 0 3 299.418 2.603 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)NCc1cccc(C#N)c1 ZINC000595867747 349757963 /nfs/dbraw/zinc/75/79/63/349757963.db2.gz PYZGPJDFKFTADD-WMLDXEAASA-N 0 3 299.418 2.827 20 30 CFEDHN CC1(C)C[C@]1(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000595995094 349774593 /nfs/dbraw/zinc/77/45/93/349774593.db2.gz MSJZAYWYXJVTPW-YJBOKZPZSA-N 0 3 299.418 2.839 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@H](O)C(C)C ZINC000414520506 529625738 /nfs/dbraw/zinc/62/57/38/529625738.db2.gz DCMPFPKLTIRQGP-LSDHHAIUSA-N 0 3 264.344 2.582 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000595917625 349769040 /nfs/dbraw/zinc/76/90/40/349769040.db2.gz ZNJWHEUCOHECML-JYJNAYRXSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1nc2ncccc2cc1C#N ZINC000596078330 349789021 /nfs/dbraw/zinc/78/90/21/349789021.db2.gz WNFTXBVPYGGOTN-CYBMUJFWSA-N 0 3 295.390 2.788 20 30 CFEDHN CN(CC[C@H]1CCCCN1C)c1nc(C#N)c(Cl)s1 ZINC000596138122 349804979 /nfs/dbraw/zinc/80/49/79/349804979.db2.gz FVBCSZLAPLUCPL-SNVBAGLBSA-N 0 3 298.843 2.979 20 30 CFEDHN CC#CCN(C)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666711 346935716 /nfs/dbraw/zinc/93/57/16/346935716.db2.gz PUCDXNZNXGFAAL-UHFFFAOYSA-N 0 3 260.356 2.750 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596160216 349812592 /nfs/dbraw/zinc/81/25/92/349812592.db2.gz BDIIMIDZUXXGPP-XCBNKYQSSA-N 0 3 282.800 2.563 20 30 CFEDHN CN1CCC[C@H]2CN(c3nc(C#N)c(Cl)s3)CC[C@@H]21 ZINC000596168522 349815660 /nfs/dbraw/zinc/81/56/60/349815660.db2.gz OBTIJAXUDNDHGP-ONGXEEELSA-N 0 3 296.827 2.589 20 30 CFEDHN C#CCCOc1ccc(CN[C@H](CC)[C@H](O)C(F)F)cc1 ZINC000295021351 199304064 /nfs/dbraw/zinc/30/40/64/199304064.db2.gz KQZUMECTZDTHKI-CABCVRRESA-N 0 3 297.345 2.583 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1csc(C(C)C)n1 ZINC000295037859 199313990 /nfs/dbraw/zinc/31/39/90/199313990.db2.gz PFBHNTAMKHXFQM-CYBMUJFWSA-N 0 3 279.453 2.872 20 30 CFEDHN CO[C@@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC000295073102 199331324 /nfs/dbraw/zinc/33/13/24/199331324.db2.gz RGEXKMLVHXLPBR-OAHLLOKOSA-N 0 3 258.365 2.805 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H]2CCN2C(C)(C)C)n1 ZINC000596308330 349858791 /nfs/dbraw/zinc/85/87/91/349858791.db2.gz RAWJAPRHTNFYSZ-CYBMUJFWSA-N 0 3 258.369 2.546 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1ccc(C#N)cc1F ZINC000596307628 349859069 /nfs/dbraw/zinc/85/90/69/349859069.db2.gz NNWQCUWKCNFGMP-LBPRGKRZSA-N 0 3 261.344 2.982 20 30 CFEDHN CN(CC(C)(C)C#N)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000353294454 529842600 /nfs/dbraw/zinc/84/26/00/529842600.db2.gz JQCHGYXFPMBELT-OAHLLOKOSA-N 0 3 291.439 2.792 20 30 CFEDHN COc1cc(F)c(CNCCCCC#N)cc1OC ZINC000573497509 334942512 /nfs/dbraw/zinc/94/25/12/334942512.db2.gz UHMDXDYMTZJIPZ-UHFFFAOYSA-N 0 3 266.316 2.626 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000074286980 347007285 /nfs/dbraw/zinc/00/72/85/347007285.db2.gz DJVJENHRQCKIPS-HOTGVXAUSA-N 0 3 258.365 2.684 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000074286984 347007495 /nfs/dbraw/zinc/00/74/95/347007495.db2.gz DJVJENHRQCKIPS-HZPDHXFCSA-N 0 3 258.365 2.684 20 30 CFEDHN CN1CC=C(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000329969331 530047287 /nfs/dbraw/zinc/04/72/87/530047287.db2.gz ULWIASJFUSHIMN-UHFFFAOYSA-N 0 3 295.386 2.808 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H](C)CN2CCC(C)CC2)n1 ZINC000596486932 349917128 /nfs/dbraw/zinc/91/71/28/349917128.db2.gz BXHHJNNUQXWDNT-CQSZACIVSA-N 0 3 272.396 2.794 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000408089207 260224300 /nfs/dbraw/zinc/22/43/00/260224300.db2.gz ISTQFGPZHQBECD-UONOGXRCSA-N 0 3 277.412 2.592 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000668369937 539431041 /nfs/dbraw/zinc/43/10/41/539431041.db2.gz ISVYWNGBCGGASZ-KRWDZBQOSA-N 0 3 276.424 2.890 20 30 CFEDHN CCCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000596517277 349927906 /nfs/dbraw/zinc/92/79/06/349927906.db2.gz LEYVZBQQMYROEP-ZDUSSCGKSA-N 0 3 288.351 2.671 20 30 CFEDHN C#CCOc1ccc(CN(C)[C@H](CO)c2ccccc2)cc1 ZINC000295113579 199351399 /nfs/dbraw/zinc/35/13/99/199351399.db2.gz VJGGYZIAQBQXTM-LJQANCHMSA-N 0 3 295.382 2.864 20 30 CFEDHN N#Cc1c(F)cccc1N1CCN(CC2CCC2)CC1 ZINC000173446230 232275826 /nfs/dbraw/zinc/27/58/26/232275826.db2.gz WELUTKIVFBFYDM-UHFFFAOYSA-N 0 3 273.355 2.619 20 30 CFEDHN Cc1cc(CN2CCC[C@H](c3ccnn3C)C2)ccc1C#N ZINC000335205421 539523043 /nfs/dbraw/zinc/52/30/43/539523043.db2.gz MSECJBIAOBEOON-KRWDZBQOSA-N 0 3 294.402 2.980 20 30 CFEDHN CC[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)N1CCCC1 ZINC000029623206 346283066 /nfs/dbraw/zinc/28/30/66/346283066.db2.gz RVNQBSQZPFMDHA-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000042247661 346362729 /nfs/dbraw/zinc/36/27/29/346362729.db2.gz OTKRPBCQUNMZBO-QLFBSQMISA-N 0 3 266.429 2.777 20 30 CFEDHN C=C(C)CN(CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000046055688 346418955 /nfs/dbraw/zinc/41/89/55/346418955.db2.gz SQTOOKZFRQFMKM-UHFFFAOYSA-N 0 3 264.325 2.872 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000573774561 334965016 /nfs/dbraw/zinc/96/50/16/334965016.db2.gz HQEJUPIMFUTYDV-KGLIPLIRSA-N 0 3 294.782 2.602 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C(C1CC1)C1CC1 ZINC000051579665 346505234 /nfs/dbraw/zinc/50/52/34/346505234.db2.gz GXQUHLXVBQKTCN-UHFFFAOYSA-N 0 3 264.413 2.531 20 30 CFEDHN CCN(Cc1cc(C#N)ccc1F)C[C@@H]1CCOC1 ZINC000052071782 346511775 /nfs/dbraw/zinc/51/17/75/346511775.db2.gz XPSWAMKSXABOAG-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN CC(C)CCN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000052246096 346518237 /nfs/dbraw/zinc/51/82/37/346518237.db2.gz YNPOLPQAZAGCML-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(CC)CC1 ZINC000052280120 346519541 /nfs/dbraw/zinc/51/95/41/346519541.db2.gz MERSKOOBTDPIMT-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN Cc1nnc(NCCN(C)Cc2ccccc2)c(C#N)c1C ZINC000053582812 346550017 /nfs/dbraw/zinc/55/00/17/346550017.db2.gz NVWDYTMOSSECKG-UHFFFAOYSA-N 0 3 295.390 2.509 20 30 CFEDHN C=CCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000060365031 346663788 /nfs/dbraw/zinc/66/37/88/346663788.db2.gz GFYDICSMICIEKQ-HNNXBMFYSA-N 0 3 270.376 2.964 20 30 CFEDHN CCN1C[C@H](CN(C)CCCCC#N)Oc2ccccc21 ZINC000057624405 346632753 /nfs/dbraw/zinc/63/27/53/346632753.db2.gz OJKYZYZLMFXTQV-HNNXBMFYSA-N 0 3 287.407 2.900 20 30 CFEDHN C#CCN(CCCN1CCCC1=O)[C@H]1CCc2ccccc21 ZINC000064141805 346715957 /nfs/dbraw/zinc/71/59/57/346715957.db2.gz KCZUKOKCJSJTPO-SFHVURJKSA-N 0 3 296.414 2.622 20 30 CFEDHN C[C@@H](COCC(F)(F)F)NCc1cccc(C#N)c1 ZINC000062259891 346687477 /nfs/dbraw/zinc/68/74/77/346687477.db2.gz TWQXXBJSRKFGFP-JTQLQIEISA-N 0 3 272.270 2.615 20 30 CFEDHN C=C1CCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000066874727 346783579 /nfs/dbraw/zinc/78/35/79/346783579.db2.gz HTAGSFJLCYFYTF-UHFFFAOYSA-N 0 3 264.413 2.725 20 30 CFEDHN C=CCCCN(C)Cc1cc(C(=O)OC)oc1C ZINC000076736944 347151327 /nfs/dbraw/zinc/15/13/27/347151327.db2.gz UVDUKLDRNWJQDL-UHFFFAOYSA-N 0 3 251.326 2.773 20 30 CFEDHN C[C@@H](CNc1ncccc1C#N)N1CCCC[C@H]1C ZINC000079901285 347331412 /nfs/dbraw/zinc/33/14/12/347331412.db2.gz BEFYNRNXEADFAG-OLZOCXBDSA-N 0 3 258.369 2.628 20 30 CFEDHN Cc1cccc(CN2CCC(NC(=O)C(C)(C)C#N)CC2)c1 ZINC000080353622 347355576 /nfs/dbraw/zinc/35/55/76/347355576.db2.gz BHLGIPRHXWJUQV-UHFFFAOYSA-N 0 3 299.418 2.625 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1F ZINC000404111890 232687209 /nfs/dbraw/zinc/68/72/09/232687209.db2.gz JWADKMMFFYFSMC-OIISXLGYSA-N 0 3 288.366 2.823 20 30 CFEDHN C=CCOc1ccccc1CN(C)C[C@@H]1CCC[C@@H]1O ZINC000091899292 347602117 /nfs/dbraw/zinc/60/21/17/347602117.db2.gz RIUPHYUEPYMZIE-HOCLYGCPSA-N 0 3 275.392 2.844 20 30 CFEDHN C[C@@H](CNc1snc(Cl)c1C#N)N(C)C1CC1 ZINC000092649553 347636561 /nfs/dbraw/zinc/63/65/61/347636561.db2.gz NIGROURPGREFCR-ZETCQYMHSA-N 0 3 270.789 2.563 20 30 CFEDHN CCC(CC)(CCO)CNCc1ccc(C#N)cc1F ZINC000269427704 534918279 /nfs/dbraw/zinc/91/82/79/534918279.db2.gz OITKECKHTQSQKR-UHFFFAOYSA-N 0 3 278.371 2.976 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1sc(CCOC)nc1C ZINC000092767489 347646949 /nfs/dbraw/zinc/64/69/49/347646949.db2.gz SWRVKZCRDSKYKZ-UWVGGRQHSA-N 0 3 254.399 2.866 20 30 CFEDHN C[C@H](C1CC1)N(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000092009550 347607042 /nfs/dbraw/zinc/60/70/42/347607042.db2.gz LHAVPXJQDFGYTB-GFCCVEGCSA-N 0 3 280.375 2.969 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H]1C[C@@H](C)O ZINC000093482616 347676253 /nfs/dbraw/zinc/67/62/53/347676253.db2.gz IRJUGSRTZCBFAN-GDBMZVCRSA-N 0 3 275.392 2.987 20 30 CFEDHN Cc1csc(CCNCc2cc(C#N)cs2)n1 ZINC000093492335 347677323 /nfs/dbraw/zinc/67/73/23/347677323.db2.gz UIZWPXPUNGIJBU-UHFFFAOYSA-N 0 3 263.391 2.717 20 30 CFEDHN C=CCOc1ccccc1CN(C)C[C@@H]1CCOC1 ZINC000093839941 347685215 /nfs/dbraw/zinc/68/52/15/347685215.db2.gz IJZJBBNZWXPTGM-AWEZNQCLSA-N 0 3 261.365 2.720 20 30 CFEDHN N#Cc1ccncc1NCCCN1CCc2ccccc2C1 ZINC000094134676 347692350 /nfs/dbraw/zinc/69/23/50/347692350.db2.gz LPMHFJUESKRRHK-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](CC)C2)CC1 ZINC000106275153 347730884 /nfs/dbraw/zinc/73/08/84/347730884.db2.gz NXZJPCFIGUXBEU-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1cc(C)ncn1)C(C)C ZINC000110127726 347747579 /nfs/dbraw/zinc/74/75/79/347747579.db2.gz LVZCEYCYRIIBAX-OAHLLOKOSA-N 0 3 274.412 2.896 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CC)CC1 ZINC000119954026 347804904 /nfs/dbraw/zinc/80/49/04/347804904.db2.gz MEQRXAJJMLCPNJ-GOEBONIOSA-N 0 3 293.455 2.905 20 30 CFEDHN CCc1nnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c(C#N)c1CC ZINC000128643630 187381135 /nfs/dbraw/zinc/38/11/35/187381135.db2.gz DEUJURRXFVAITQ-NWDGAFQWSA-N 0 3 299.422 2.510 20 30 CFEDHN C=CCCN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000133048119 347889165 /nfs/dbraw/zinc/88/91/65/347889165.db2.gz YZBFWXZAFIUUGK-UHFFFAOYSA-N 0 3 283.318 2.906 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000161978684 348027500 /nfs/dbraw/zinc/02/75/00/348027500.db2.gz AJIUSUIWQFTYHR-KRWDZBQOSA-N 0 3 299.418 2.943 20 30 CFEDHN C[C@H](N[C@@H](C)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000157592371 348001822 /nfs/dbraw/zinc/00/18/22/348001822.db2.gz KCPRXBSEMUPZDK-RYUDHWBXSA-N 0 3 271.364 2.663 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1C#N ZINC000273340525 192119653 /nfs/dbraw/zinc/11/96/53/192119653.db2.gz NQDAVLHMBDPBEG-GXSJLCMTSA-N 0 3 290.798 2.952 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@@H](CO)CC1)c1ccc(C#N)cc1F ZINC000305832188 348383024 /nfs/dbraw/zinc/38/30/24/348383024.db2.gz UWPBLPIXHKWTOH-BZPMIXESSA-N 0 3 276.355 2.899 20 30 CFEDHN C=C(C)CN1CCC(N[C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000297775991 348365738 /nfs/dbraw/zinc/36/57/38/348365738.db2.gz PKFCBNIRMUQXKE-ZFWWWQNUSA-N 0 3 274.412 2.519 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000310805146 348410127 /nfs/dbraw/zinc/41/01/27/348410127.db2.gz HPKLQLBNIJVXIB-LLVKDONJSA-N 0 3 254.255 2.975 20 30 CFEDHN N#Cc1cccc(NC(=O)[C@@H](N)CC2CCCCC2)c1 ZINC000312793939 348420529 /nfs/dbraw/zinc/42/05/29/348420529.db2.gz PURUPRDRDWXXJO-HNNXBMFYSA-N 0 3 271.364 2.794 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000320805821 348437353 /nfs/dbraw/zinc/43/73/53/348437353.db2.gz WLHKUQZDSJWXIN-GFCCVEGCSA-N 0 3 299.798 2.774 20 30 CFEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000314639201 348427108 /nfs/dbraw/zinc/42/71/08/348427108.db2.gz ZUIZTROLVRZGGN-WMLDXEAASA-N 0 3 296.370 2.649 20 30 CFEDHN C=CCN(CC=C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000341552255 348456969 /nfs/dbraw/zinc/45/69/69/348456969.db2.gz DTVMVIBCPQRGTM-HUUCEWRRSA-N 0 3 279.428 2.633 20 30 CFEDHN C=CCN(C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000354627740 348501936 /nfs/dbraw/zinc/50/19/36/348501936.db2.gz ALHHPKLRAJDNPF-UHFFFAOYSA-N 0 3 262.744 2.539 20 30 CFEDHN CC#CCCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365424537 348511843 /nfs/dbraw/zinc/51/18/43/348511843.db2.gz XCNGAHBDYRYBRI-LSDHHAIUSA-N 0 3 292.423 2.731 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000383089400 348531007 /nfs/dbraw/zinc/53/10/07/348531007.db2.gz POTWWXXLCIFVCK-NVXWUHKLSA-N 0 3 299.418 2.659 20 30 CFEDHN COCCN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000384415052 348532311 /nfs/dbraw/zinc/53/23/11/348532311.db2.gz ODHDVPZUMGMUJI-UHFFFAOYSA-N 0 3 258.365 2.829 20 30 CFEDHN C[C@@H]1SCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000404031012 348589227 /nfs/dbraw/zinc/58/92/27/348589227.db2.gz XAWACLDNCRCKLW-TVQRCGJNSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@@H]1CN(CCC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404450116 348592079 /nfs/dbraw/zinc/59/20/79/348592079.db2.gz YJVSCBAUUWWQPF-OAGGEKHMSA-N 0 3 271.408 2.883 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCc2ccccc2CC1 ZINC000533437626 348650559 /nfs/dbraw/zinc/65/05/59/348650559.db2.gz KYGPTUFXOSYYRT-INIZCTEOSA-N 0 3 298.430 2.676 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000491429922 348628065 /nfs/dbraw/zinc/62/80/65/348628065.db2.gz WLPAFZDQCDPTNJ-YOEHRIQHSA-N 0 3 284.403 2.524 20 30 CFEDHN C#C[C@@H](CC)NCc1cccc(OCCCC#N)c1 ZINC000491632366 348629372 /nfs/dbraw/zinc/62/93/72/348629372.db2.gz OSOHZZJBMZHUHO-HNNXBMFYSA-N 0 3 256.349 2.871 20 30 CFEDHN C#CCN1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000491784886 348630719 /nfs/dbraw/zinc/63/07/19/348630719.db2.gz RIMNJOUKERITPG-AWEZNQCLSA-N 0 3 292.423 2.731 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@]1(C)CCCO1 ZINC000585726025 348740445 /nfs/dbraw/zinc/74/04/45/348740445.db2.gz PWYRKQVFWGDQAM-IAQYHMDHSA-N 0 3 262.328 2.745 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCc3ccccc3C2)n1 ZINC000589313680 348826086 /nfs/dbraw/zinc/82/60/86/348826086.db2.gz MBNZVDGMWUEYGS-GFCCVEGCSA-N 0 3 283.400 2.909 20 30 CFEDHN CN1CCC(N(C(=O)CCCC#N)c2ccccc2)CC1 ZINC000589754303 348855197 /nfs/dbraw/zinc/85/51/97/348855197.db2.gz ITEMVLUUAMCHMB-UHFFFAOYSA-N 0 3 285.391 2.808 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)CC2(C#N)CC2)c1 ZINC000590317497 348893300 /nfs/dbraw/zinc/89/33/00/348893300.db2.gz NVRCRBPUCCTHPA-UHFFFAOYSA-N 0 3 271.364 2.689 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC(C2CC2)C1 ZINC000589990557 348868397 /nfs/dbraw/zinc/86/83/97/348868397.db2.gz BKRSDEQSIIEETN-HNNXBMFYSA-N 0 3 268.360 2.627 20 30 CFEDHN CC/C=C\CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590005492 348868983 /nfs/dbraw/zinc/86/89/83/348868983.db2.gz MKEAKGPZRQWKQW-JZIMQPMSSA-N 0 3 271.364 2.763 20 30 CFEDHN N#CCCOCCN1CCC(c2ccccc2F)CC1 ZINC000590161675 348880758 /nfs/dbraw/zinc/88/07/58/348880758.db2.gz GRUDHJHGNHHLHP-UHFFFAOYSA-N 0 3 276.355 2.935 20 30 CFEDHN CN(CCN1CCC[C@](C)(C#N)C1)Cc1ccccc1 ZINC000590715595 348934943 /nfs/dbraw/zinc/93/49/43/348934943.db2.gz SBQJWNPCEQUENH-QGZVFWFLSA-N 0 3 271.408 2.744 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000590751544 348942111 /nfs/dbraw/zinc/94/21/11/348942111.db2.gz AINAUCISWPSGNR-CABCVRRESA-N 0 3 291.778 2.623 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000590762781 348944547 /nfs/dbraw/zinc/94/45/47/348944547.db2.gz YRPLDMGYTGTMSW-KGLIPLIRSA-N 0 3 298.308 2.612 20 30 CFEDHN CCN1C[C@@H](CN(C)[C@@H](C)CCC#N)Oc2ccccc21 ZINC000591010428 348977401 /nfs/dbraw/zinc/97/74/01/348977401.db2.gz VPHXLPTYUAWRLD-LSDHHAIUSA-N 0 3 287.407 2.898 20 30 CFEDHN CCCCNC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000591022922 348979703 /nfs/dbraw/zinc/97/97/03/348979703.db2.gz ALZSQOWODUYKKW-CYBMUJFWSA-N 0 3 273.380 2.515 20 30 CFEDHN N#CCCN[C@H](CN1CCCCC1)c1ccccc1 ZINC000591026592 348980293 /nfs/dbraw/zinc/98/02/93/348980293.db2.gz BBCGLIAZULZPKI-MRXNPFEDSA-N 0 3 257.381 2.717 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1(C(F)(F)F)CC1 ZINC000590912969 348965733 /nfs/dbraw/zinc/96/57/33/348965733.db2.gz CCWXLJQAZTZMJV-LBPRGKRZSA-N 0 3 296.292 2.970 20 30 CFEDHN COc1cc(CN[C@H](C)[C@@H]2CC2(F)F)ccc1C#N ZINC000591266050 349005295 /nfs/dbraw/zinc/00/52/95/349005295.db2.gz RZXFGVYCJHHUKN-SKDRFNHKSA-N 0 3 266.291 2.700 20 30 CFEDHN N#CC1CCC(CNC(=O)Nc2cccc(CN)c2)CC1 ZINC000591309733 349007186 /nfs/dbraw/zinc/00/71/86/349007186.db2.gz CHEJXYSRPJIHSW-UHFFFAOYSA-N 0 3 286.379 2.597 20 30 CFEDHN C[C@H](N[C@H]1COC(C)(C)C1)c1ccc(C#N)cc1F ZINC000591356389 349011715 /nfs/dbraw/zinc/01/17/15/349011715.db2.gz PFICEJAVHKPQBN-CMPLNLGQSA-N 0 3 262.328 2.915 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H](C3CCCC3)C2)ccn1 ZINC000591476911 349026726 /nfs/dbraw/zinc/02/67/26/349026726.db2.gz VHTRDURAMIWYHQ-OAHLLOKOSA-N 0 3 255.365 2.965 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000591609877 349034779 /nfs/dbraw/zinc/03/47/79/349034779.db2.gz XTLUQUBUNHAYJH-AWEZNQCLSA-N 0 3 277.412 2.580 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000591689442 349038200 /nfs/dbraw/zinc/03/82/00/349038200.db2.gz LODOLNWQFPPVHM-MRXNPFEDSA-N 0 3 286.379 2.611 20 30 CFEDHN C[C@@H](CCCc1cccnc1)NCc1ccncc1C#N ZINC000592125643 349087802 /nfs/dbraw/zinc/08/78/02/349087802.db2.gz YWTDFSUHGYCJCL-AWEZNQCLSA-N 0 3 280.375 2.849 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC(C)(C)C ZINC000592144492 349090388 /nfs/dbraw/zinc/09/03/88/349090388.db2.gz JSLJPMYTMXQNJZ-CJNGLKHVSA-N 0 3 281.444 2.797 20 30 CFEDHN N#CC[C@@]1(O)CCN(CCc2ccc3ccccc3c2)C1 ZINC000592151513 349091072 /nfs/dbraw/zinc/09/10/72/349091072.db2.gz PKIHHPVKQFTUDH-GOSISDBHSA-N 0 3 280.371 2.733 20 30 CFEDHN CCc1c(C)nc2ccccc2c1N1CC[C@](O)(CC#N)C1 ZINC000591973136 349067675 /nfs/dbraw/zinc/06/76/75/349067675.db2.gz BUURMKAQWBXEMC-GOSISDBHSA-N 0 3 295.386 2.961 20 30 CFEDHN CC[C@H](C)C[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000592374790 349111237 /nfs/dbraw/zinc/11/12/37/349111237.db2.gz JDCQRJSSYVRASA-FZMZJTMJSA-N 0 3 264.344 2.584 20 30 CFEDHN CCCC[C@@](C)(CO)NCc1ccc(C#N)s1 ZINC000592375491 349112066 /nfs/dbraw/zinc/11/20/66/349112066.db2.gz VTPGURVIECSKKK-ZDUSSCGKSA-N 0 3 252.383 2.651 20 30 CFEDHN CC(C)[C@H]1CN(Cc2cnc3c(C#N)cnn3c2)[C@H]1C(C)C ZINC000592515192 349130777 /nfs/dbraw/zinc/13/07/77/349130777.db2.gz SZTWMBDIEQQIKU-CVEARBPZSA-N 0 3 297.406 2.713 20 30 CFEDHN N#CC[C@@]1(O)CCN(CCCC2CCCCC2)C1 ZINC000592522963 349132062 /nfs/dbraw/zinc/13/20/62/349132062.db2.gz UPNAUUNHYYXWBF-OAHLLOKOSA-N 0 3 250.386 2.697 20 30 CFEDHN N#CC[C@]1(O)CCN(CCCC2CCCCC2)C1 ZINC000592522962 349132646 /nfs/dbraw/zinc/13/26/46/349132646.db2.gz UPNAUUNHYYXWBF-HNNXBMFYSA-N 0 3 250.386 2.697 20 30 CFEDHN COc1ccc2cc(CN3CC[C@@](O)(CC#N)C3)ccc2c1 ZINC000592523374 349133992 /nfs/dbraw/zinc/13/39/92/349133992.db2.gz LFIUUTOMUZHPDX-SFHVURJKSA-N 0 3 296.370 2.699 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000593024974 349189985 /nfs/dbraw/zinc/18/99/85/349189985.db2.gz MHAUZIFILIOXPG-TZMCWYRMSA-N 0 3 271.320 2.841 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(Cl)c2)CCC1 ZINC000592894573 349175185 /nfs/dbraw/zinc/17/51/85/349175185.db2.gz MSTSZRRXASDBDX-JTQLQIEISA-N 0 3 262.740 2.995 20 30 CFEDHN CC(C)(C)OC(=O)C[C@@H]1CCCCN1CCOCCC#N ZINC000593095494 349207992 /nfs/dbraw/zinc/20/79/92/349207992.db2.gz NKOUOELRPXNGMI-AWEZNQCLSA-N 0 3 296.411 2.503 20 30 CFEDHN C#CCN(C(=O)c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000274017742 192404850 /nfs/dbraw/zinc/40/48/50/192404850.db2.gz HSGNHIZKGARVCW-UHFFFAOYSA-N 0 3 282.387 2.520 20 30 CFEDHN CN(CCN1CCCCC1)Cc1cccc(C#N)c1F ZINC000593112161 349211262 /nfs/dbraw/zinc/21/12/62/349211262.db2.gz LVTGAFGOEYWIAD-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN C[C@@H](CC#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000596894450 350002933 /nfs/dbraw/zinc/00/29/33/350002933.db2.gz BBBULQJMDSYKKV-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C2(O)CC2)CC1 ZINC000593048615 349194327 /nfs/dbraw/zinc/19/43/27/349194327.db2.gz DMWPEVCYAVPFAD-ZDUSSCGKSA-N 0 3 270.376 2.856 20 30 CFEDHN C[C@H]1C[C@H]1c1noc(CC2CCN(CCCC#N)CC2)n1 ZINC000593075585 349202226 /nfs/dbraw/zinc/20/22/26/349202226.db2.gz CXMJKIUDOHZQKZ-GXTWGEPZSA-N 0 3 288.395 2.751 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Cn2cnnc2)CC1 ZINC000593077004 349202637 /nfs/dbraw/zinc/20/26/37/349202637.db2.gz HMCWLDDKFCMSDK-CQSZACIVSA-N 0 3 295.390 2.623 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000593640355 349302976 /nfs/dbraw/zinc/30/29/76/349302976.db2.gz FVUYKKYIMZOORX-FMKPAKJESA-N 0 3 287.407 2.652 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2ccc(C(=O)OC)o2)C1 ZINC000593627452 349301307 /nfs/dbraw/zinc/30/13/07/349301307.db2.gz DUOJIJGZAWXKHY-RYUDHWBXSA-N 0 3 263.337 2.901 20 30 CFEDHN CC[C@H](C#N)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000593447849 349272582 /nfs/dbraw/zinc/27/25/82/349272582.db2.gz HQHXSULSHGPUIM-MRXNPFEDSA-N 0 3 287.407 2.646 20 30 CFEDHN C=CCOCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594034958 349358024 /nfs/dbraw/zinc/35/80/24/349358024.db2.gz HHFHORHKAKAIKF-UHFFFAOYSA-N 0 3 256.349 2.730 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC(=O)N(C)C1 ZINC000593995519 349348413 /nfs/dbraw/zinc/34/84/13/349348413.db2.gz VUDGUUDBJMNCGR-INIZCTEOSA-N 0 3 299.418 2.540 20 30 CFEDHN CCC(C)(C)N1CCN(Cc2cccc(C#N)c2)CC1 ZINC000594020995 349355368 /nfs/dbraw/zinc/35/53/68/349355368.db2.gz OXTDVCVGJNMZIH-UHFFFAOYSA-N 0 3 271.408 2.864 20 30 CFEDHN CCCN(CCN1CCCCCC1)C(=O)[C@@H](C#N)CC ZINC000593716296 349314030 /nfs/dbraw/zinc/31/40/30/349314030.db2.gz TVTPSJGFAWNRKJ-OAHLLOKOSA-N 0 3 279.428 2.651 20 30 CFEDHN CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594286526 349404446 /nfs/dbraw/zinc/40/44/46/349404446.db2.gz PKCMKQSGTGYTHQ-IRXDYDNUSA-N 0 3 299.418 2.563 20 30 CFEDHN CN(C)CCN(Cc1ccsc1)C(=O)CCCCC#N ZINC000594040709 349360364 /nfs/dbraw/zinc/36/03/64/349360364.db2.gz AWRKOXMVEBZEFS-UHFFFAOYSA-N 0 3 293.436 2.722 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594437052 349422416 /nfs/dbraw/zinc/42/24/16/349422416.db2.gz SOUPMRXYPSUFGW-HNNXBMFYSA-N 0 3 289.379 2.825 20 30 CFEDHN Cc1ccccc1[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594440807 349422570 /nfs/dbraw/zinc/42/25/70/349422570.db2.gz ZSLXJOVOEVBRBP-NVXWUHKLSA-N 0 3 299.418 2.722 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594440776 349422708 /nfs/dbraw/zinc/42/27/08/349422708.db2.gz ZJLGPMPDWFCCAK-GJZGRUSLSA-N 0 3 279.428 2.873 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000594443401 349423359 /nfs/dbraw/zinc/42/33/59/349423359.db2.gz GWIRKNAAYGRAJU-DLBZAZTESA-N 0 3 299.418 2.535 20 30 CFEDHN CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594445072 349424838 /nfs/dbraw/zinc/42/48/38/349424838.db2.gz OTEBWQOSJDHDHO-IRXDYDNUSA-N 0 3 299.418 2.934 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@H]2CCCOC2)cc1 ZINC000594498820 349430866 /nfs/dbraw/zinc/43/08/66/349430866.db2.gz LNBYGEYNFFRGBM-HNNXBMFYSA-N 0 3 258.365 2.756 20 30 CFEDHN CCCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596976856 350010488 /nfs/dbraw/zinc/01/04/88/350010488.db2.gz BFOIJDIJWAAJPZ-UHFFFAOYSA-N 0 3 283.419 2.769 20 30 CFEDHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000597080475 350025873 /nfs/dbraw/zinc/02/58/73/350025873.db2.gz NTVLDDDKVOMNOW-NKFCBESUSA-N 0 3 274.339 2.915 20 30 CFEDHN COCCc1ccc(OC[C@@H](C)NCCCC#N)cc1 ZINC000597083156 350027642 /nfs/dbraw/zinc/02/76/42/350027642.db2.gz SIVFDFXNIVEINU-CQSZACIVSA-N 0 3 276.380 2.536 20 30 CFEDHN CC(C)CCC[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594424366 349416672 /nfs/dbraw/zinc/41/66/72/349416672.db2.gz BTKORHKYXPULFY-KBPBESRZSA-N 0 3 267.417 2.729 20 30 CFEDHN CCc1cccc(C)c1NC(=O)[C@@H](N)CCCCC#N ZINC000594424540 349417321 /nfs/dbraw/zinc/41/73/21/349417321.db2.gz FOVNZNDFRXFTHM-AWEZNQCLSA-N 0 3 273.380 2.907 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000594425995 349417694 /nfs/dbraw/zinc/41/76/94/349417694.db2.gz BUKRYWFVZJTEQU-JJXSEGSLSA-N 0 3 291.439 2.873 20 30 CFEDHN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594426487 349417705 /nfs/dbraw/zinc/41/77/05/349417705.db2.gz DGGXSYQHRRGIMR-DOMZBBRYSA-N 0 3 291.370 2.756 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000594425789 349417841 /nfs/dbraw/zinc/41/78/41/349417841.db2.gz ABQBLZCFLVTYNU-CYBMUJFWSA-N 0 3 270.336 2.518 20 30 CFEDHN CSc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426325 349417864 /nfs/dbraw/zinc/41/78/64/349417864.db2.gz OJAYWXBVPXTVQW-NSHDSACASA-N 0 3 277.393 2.758 20 30 CFEDHN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594425707 349418086 /nfs/dbraw/zinc/41/80/86/349418086.db2.gz LWSJOIQAEDIYDH-YPMHNXCESA-N 0 3 291.420 2.605 20 30 CFEDHN COc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1Cl ZINC000594427907 349418464 /nfs/dbraw/zinc/41/84/64/349418464.db2.gz XIFJMUMSDVLOPZ-GFCCVEGCSA-N 0 3 295.770 2.698 20 30 CFEDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594428408 349418537 /nfs/dbraw/zinc/41/85/37/349418537.db2.gz NIWJGOPCKPGGFV-HIFRSBDPSA-N 0 3 273.380 2.584 20 30 CFEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(F)cc1F ZINC000594427805 349418596 /nfs/dbraw/zinc/41/85/96/349418596.db2.gz WMPIJWHNXJZLKT-QMTHXVAHSA-N 0 3 295.333 2.553 20 30 CFEDHN CCN(CCc1cccs1)C(=O)[C@H](N)CCCCC#N ZINC000594427713 349418765 /nfs/dbraw/zinc/41/87/65/349418765.db2.gz JBIPCBRNOGLLGG-CQSZACIVSA-N 0 3 293.436 2.550 20 30 CFEDHN CCOc1ccc(NC(=O)[C@H](N)CCCCC#N)c(C)c1 ZINC000594429667 349419407 /nfs/dbraw/zinc/41/94/07/349419407.db2.gz VIHLBGAYWIRRDT-CQSZACIVSA-N 0 3 289.379 2.744 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000594428856 349419583 /nfs/dbraw/zinc/41/95/83/349419583.db2.gz OCNPEMCTKHRTDU-HNNXBMFYSA-N 0 3 285.391 2.593 20 30 CFEDHN CCC(CC)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594430006 349419799 /nfs/dbraw/zinc/41/97/99/349419799.db2.gz YZKBEYUJSFSQRL-CQSZACIVSA-N 0 3 265.401 2.577 20 30 CFEDHN CCOc1cc(F)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594429148 349420035 /nfs/dbraw/zinc/42/00/35/349420035.db2.gz RDHGRJSPLDSELS-GFCCVEGCSA-N 0 3 293.342 2.574 20 30 CFEDHN Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](N)CCCCC#N ZINC000594431182 349420548 /nfs/dbraw/zinc/42/05/48/349420548.db2.gz JJGLVFNUVVGUFT-HZPDHXFCSA-N 0 3 285.391 2.510 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594431118 349420803 /nfs/dbraw/zinc/42/08/03/349420803.db2.gz HUDAHQNPFUXIMB-LVQVYYBASA-N 0 3 293.455 2.975 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000594432665 349420850 /nfs/dbraw/zinc/42/08/50/349420850.db2.gz FWEWPORGCSUXOO-HUUCEWRRSA-N 0 3 289.354 2.510 20 30 CFEDHN CC1(C)CN(C(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594432459 349420970 /nfs/dbraw/zinc/42/09/70/349420970.db2.gz AOVHEJVGBVYSOF-AWEZNQCLSA-N 0 3 285.391 2.722 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594431119 349421024 /nfs/dbraw/zinc/42/10/24/349421024.db2.gz HUDAHQNPFUXIMB-WCVJEAGWSA-N 0 3 293.455 2.975 20 30 CFEDHN CCOCc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594435097 349421434 /nfs/dbraw/zinc/42/14/34/349421434.db2.gz AKYQDHISUBOYHS-OAHLLOKOSA-N 0 3 289.379 2.573 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000594434953 349421725 /nfs/dbraw/zinc/42/17/25/349421725.db2.gz XFVLAVHGKPRNKR-OAHLLOKOSA-N 0 3 291.439 2.971 20 30 CFEDHN CC1(C)C[C@H](NC(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594436490 349421852 /nfs/dbraw/zinc/42/18/52/349421852.db2.gz IYBCUUZOZBZGJT-CVEARBPZSA-N 0 3 299.418 2.936 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)C1(CO)CCC1 ZINC000597252859 350073696 /nfs/dbraw/zinc/07/36/96/350073696.db2.gz AMJOAHWJVHFVTI-UHFFFAOYSA-N 0 3 288.391 2.716 20 30 CFEDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597291123 350079841 /nfs/dbraw/zinc/07/98/41/350079841.db2.gz BMFHOKXWEBFJQR-GJZGRUSLSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(=O)Nc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597173590 350043783 /nfs/dbraw/zinc/04/37/83/350043783.db2.gz KQWJVPNOLSOWIP-AWEZNQCLSA-N 0 3 271.364 2.771 20 30 CFEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000597210379 350057044 /nfs/dbraw/zinc/05/70/44/350057044.db2.gz GITSFWXSSYOJKA-OAHLLOKOSA-N 0 3 289.423 2.546 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](C)CC#N)c(CN(C)C)c1 ZINC000597233316 350066386 /nfs/dbraw/zinc/06/63/86/350066386.db2.gz CFXLEYARTPESNT-LBPRGKRZSA-N 0 3 259.353 2.545 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000597355234 350088736 /nfs/dbraw/zinc/08/87/36/350088736.db2.gz KQLURWBGGCNOJO-HLLBOEOZSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000597355233 350088990 /nfs/dbraw/zinc/08/89/90/350088990.db2.gz KQLURWBGGCNOJO-BFYDXBDKSA-N 0 3 299.418 2.563 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]1C(F)(F)F ZINC000597665337 350122181 /nfs/dbraw/zinc/12/21/81/350122181.db2.gz MPSIRZLYALWVDI-OLZOCXBDSA-N 0 3 296.292 2.922 20 30 CFEDHN Cc1cc(NC(=O)[C@@H](C)CC#N)ccc1CN(C)C ZINC000597762580 350133599 /nfs/dbraw/zinc/13/35/99/350133599.db2.gz AZPNNQPYCXETAG-NSHDSACASA-N 0 3 259.353 2.545 20 30 CFEDHN CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C)C1 ZINC000597943887 350159645 /nfs/dbraw/zinc/15/96/45/350159645.db2.gz AINONRRUEMUABK-MRXNPFEDSA-N 0 3 299.418 2.654 20 30 CFEDHN C=CCCSCCNC(=O)[C@H](C)N1CCCCCC1 ZINC000597972726 350166873 /nfs/dbraw/zinc/16/68/73/350166873.db2.gz PJYOEAJKAMWVRZ-AWEZNQCLSA-N 0 3 284.469 2.676 20 30 CFEDHN CCN(C(=O)CC1(C#N)CCCCC1)[C@@H]1CCN(CC)C1 ZINC000598038641 350181972 /nfs/dbraw/zinc/18/19/72/350181972.db2.gz FPHPNWXHFUDJTF-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@]1(CNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598215530 350216596 /nfs/dbraw/zinc/21/65/96/350216596.db2.gz MGLONGBHHDYEBG-DZGCQCFKSA-N 0 3 292.329 2.920 20 30 CFEDHN C[C@@H](C#N)N(C(=O)c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000598133514 350206267 /nfs/dbraw/zinc/20/62/67/350206267.db2.gz YNIVKSKIWKDGCJ-AWEZNQCLSA-N 0 3 297.402 2.799 20 30 CFEDHN CC(C#N)C(=O)N1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000598147377 350209657 /nfs/dbraw/zinc/20/96/57/350209657.db2.gz WZCQBSKCHFMKNU-GFCCVEGCSA-N 0 3 294.395 2.507 20 30 CFEDHN C=CCN(C[C@H](O)COc1ccccc1Cl)C1CC1 ZINC000271351701 191089690 /nfs/dbraw/zinc/08/96/90/191089690.db2.gz DFWOVVYOSMGLLU-ZDUSSCGKSA-N 0 3 281.783 2.730 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@H](CO)C1 ZINC000598647933 350301700 /nfs/dbraw/zinc/30/17/00/350301700.db2.gz QEYMJBRZIIKQML-IOASZLSFSA-N 0 3 258.365 2.570 20 30 CFEDHN COCC#CCN(CCc1ccc(F)cc1)CC(C)C ZINC000677818379 539792104 /nfs/dbraw/zinc/79/21/04/539792104.db2.gz KTAQJXBXTICWKU-UHFFFAOYSA-N 0 3 277.383 2.976 20 30 CFEDHN Cc1ccccc1CC1CN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598701471 350312771 /nfs/dbraw/zinc/31/27/71/350312771.db2.gz LBCVMZOZUHMVDL-KRWDZBQOSA-N 0 3 286.419 2.770 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC(Cc2ccsc2)C1 ZINC000598705592 350314512 /nfs/dbraw/zinc/31/45/12/350314512.db2.gz KVMPLVSEVQGLDW-AWEZNQCLSA-N 0 3 278.421 2.523 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598718912 350317272 /nfs/dbraw/zinc/31/72/72/350317272.db2.gz HOYBHVMPOGWGAR-OAHLLOKOSA-N 0 3 288.391 2.642 20 30 CFEDHN CCOc1cc(C)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598727381 350320367 /nfs/dbraw/zinc/32/03/67/350320367.db2.gz WRBLUUBJONXTDE-OAHLLOKOSA-N 0 3 290.407 2.784 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598728994 350320742 /nfs/dbraw/zinc/32/07/42/350320742.db2.gz YIJTZPLHNSXGQQ-HNNXBMFYSA-N 0 3 288.391 2.642 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)CC(C)(C)C#N)cc1 ZINC000598728996 350320804 /nfs/dbraw/zinc/32/08/04/350320804.db2.gz YIJTZPLHNSXGQQ-OAHLLOKOSA-N 0 3 288.391 2.642 20 30 CFEDHN Cc1cccc(OCCN(C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598587202 350286225 /nfs/dbraw/zinc/28/62/25/350286225.db2.gz PCRKWGHMZSPXPI-HNNXBMFYSA-N 0 3 290.407 2.606 20 30 CFEDHN Cc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598587157 350286520 /nfs/dbraw/zinc/28/65/20/350286520.db2.gz NYUVBZMNEPIOTJ-HNNXBMFYSA-N 0 3 260.381 2.728 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](c2ccccc2F)C1 ZINC000598590392 350287527 /nfs/dbraw/zinc/28/75/27/350287527.db2.gz XQZYLZCHKODZLT-KGLIPLIRSA-N 0 3 290.382 2.916 20 30 CFEDHN CCOc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598588061 350287607 /nfs/dbraw/zinc/28/76/07/350287607.db2.gz YPZYWIQVGSVBRF-HNNXBMFYSA-N 0 3 290.407 2.818 20 30 CFEDHN Cc1nc(C(C)(C)NC[C@@H](O)CC(C)(C)C#N)sc1C ZINC000598598805 350289977 /nfs/dbraw/zinc/28/99/77/350289977.db2.gz WCZQTUUATYTCPO-LBPRGKRZSA-N 0 3 295.452 2.885 20 30 CFEDHN C[C@H]1COc2ccccc2CN1C[C@@H](O)CC(C)(C)C#N ZINC000598600938 350290790 /nfs/dbraw/zinc/29/07/90/350290790.db2.gz CCZLMCHGPKGNDS-ZFWWWQNUSA-N 0 3 288.391 2.570 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598599934 350290815 /nfs/dbraw/zinc/29/08/15/350290815.db2.gz LKBVNUZYHFIVQQ-ZYHUDNBSSA-N 0 3 282.334 2.916 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598601153 350290950 /nfs/dbraw/zinc/29/09/50/350290950.db2.gz QTFRGIFPNLFAQG-ZYHUDNBSSA-N 0 3 282.334 2.916 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(C#N)c1 ZINC000598602913 350292165 /nfs/dbraw/zinc/29/21/65/350292165.db2.gz QUKGHQUSAGKZLR-SWLSCSKDSA-N 0 3 271.364 2.510 20 30 CFEDHN Cc1cc(F)ccc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598611941 350293349 /nfs/dbraw/zinc/29/33/49/350293349.db2.gz WEDHDPZLFUQNFU-HNNXBMFYSA-N 0 3 278.371 2.867 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H](c2ccccn2)C1 ZINC000598618820 350294940 /nfs/dbraw/zinc/29/49/40/350294940.db2.gz RGGXMCDTJOGHTP-LSDHHAIUSA-N 0 3 287.407 2.562 20 30 CFEDHN CN1Cc2ccccc2[C@@H](NC2CCC(C)(C#N)CC2)C1=O ZINC000598938565 350347140 /nfs/dbraw/zinc/34/71/40/350347140.db2.gz DWEZVZJCRHMCOP-BFHRDPOASA-N 0 3 297.402 2.762 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2Cc3ccccc3CO2)c1 ZINC000598989528 350354748 /nfs/dbraw/zinc/35/47/48/350354748.db2.gz KZXJCBYQQKSQBJ-SFHVURJKSA-N 0 3 278.355 2.789 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCN2CC(F)F)c(F)c1 ZINC000598988735 350354786 /nfs/dbraw/zinc/35/47/86/350354786.db2.gz WGOUAIGTHFYKDJ-CYBMUJFWSA-N 0 3 297.324 2.516 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000599068606 350369924 /nfs/dbraw/zinc/36/99/24/350369924.db2.gz AEBHIQNGDJDJEX-UONOGXRCSA-N 0 3 279.428 2.553 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CO[C@H](C3CC3)C1)CC2 ZINC000599085294 350373187 /nfs/dbraw/zinc/37/31/87/350373187.db2.gz OSFHSGHNWJHXCW-UAGQMJEPSA-N 0 3 268.360 2.703 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000599151992 350385517 /nfs/dbraw/zinc/38/55/17/350385517.db2.gz AXYLGCONLPTYHI-ZNMIVQPWSA-N 0 3 293.455 2.799 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2CCO)cc1C#N ZINC000599283845 350406369 /nfs/dbraw/zinc/40/63/69/350406369.db2.gz FGPALNKDBPDJHW-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C)c(C#N)c1)CC2 ZINC000599297327 350409381 /nfs/dbraw/zinc/40/93/81/350409381.db2.gz WOWQELCCRXNJLG-INIZCTEOSA-N 0 3 298.386 2.642 20 30 CFEDHN CCOC[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599307706 350411604 /nfs/dbraw/zinc/41/16/04/350411604.db2.gz MLKZWVHUFYUIJI-OAHLLOKOSA-N 0 3 258.365 2.725 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1C#N ZINC000599330211 350415615 /nfs/dbraw/zinc/41/56/15/350415615.db2.gz VTSGLJCLBSYYFR-HNNXBMFYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1ccc(CN(C)CCc2ccccn2)cc1C#N ZINC000599341472 350418559 /nfs/dbraw/zinc/41/85/59/350418559.db2.gz BWRWHNKWHGLUOT-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN Cc1ccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cc1F ZINC000599354826 350421003 /nfs/dbraw/zinc/42/10/03/350421003.db2.gz RNMWXZOCXFQQAM-OCCSQVGLSA-N 0 3 276.355 2.840 20 30 CFEDHN Cc1cc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)ccc1F ZINC000599355231 350421251 /nfs/dbraw/zinc/42/12/51/350421251.db2.gz WOEOLKXDIIXXCA-OCCSQVGLSA-N 0 3 276.355 2.840 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599360876 350423091 /nfs/dbraw/zinc/42/30/91/350423091.db2.gz BUNJTMLKBJLERK-CHWSQXEVSA-N 0 3 274.364 2.544 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(C)c(C#N)c1 ZINC000599360880 350423148 /nfs/dbraw/zinc/42/31/48/350423148.db2.gz BUNJTMLKBJLERK-STQMWFEESA-N 0 3 274.364 2.544 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(C)c(C#N)c2)CC[C@@H]1C ZINC000599382444 350427128 /nfs/dbraw/zinc/42/71/28/350427128.db2.gz QYAZQFLLRPENPG-BBRMVZONSA-N 0 3 258.365 2.724 20 30 CFEDHN Cc1ccc(CN2CCN(C)[C@H](C(C)C)C2)cc1C#N ZINC000599384258 350428417 /nfs/dbraw/zinc/42/84/17/350428417.db2.gz KATREIZLBQAHQN-KRWDZBQOSA-N 0 3 271.408 2.639 20 30 CFEDHN Cc1ccc(CN2CC(C)(C)CC[C@@H]2CO)cc1C#N ZINC000599491992 350444906 /nfs/dbraw/zinc/44/49/06/350444906.db2.gz ZVRGRIBUFGIVSI-MRXNPFEDSA-N 0 3 272.392 2.850 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)C(C#N)(CC)CC ZINC000599493368 350444914 /nfs/dbraw/zinc/44/49/14/350444914.db2.gz NWSBIFAGFNZKCU-AWEZNQCLSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000599528741 350451733 /nfs/dbraw/zinc/45/17/33/350451733.db2.gz GRSUJFXDFBFHEX-LBPRGKRZSA-N 0 3 263.337 2.854 20 30 CFEDHN CC(C)[C@H]1CN(CCC#N)CCN1Cc1ccccc1 ZINC000599548610 350454271 /nfs/dbraw/zinc/45/42/71/350454271.db2.gz HYPQJZFIZSAFMX-QGZVFWFLSA-N 0 3 271.408 2.742 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)CC1(C)COC1 ZINC000599573773 350458485 /nfs/dbraw/zinc/45/84/85/350458485.db2.gz XIBILQDLIZIWFM-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585429 350459758 /nfs/dbraw/zinc/45/97/58/350459758.db2.gz YUPKLUGSFYAOGB-BARDWOONSA-N 0 3 292.423 2.978 20 30 CFEDHN Cc1cccc([C@@H](NCC(=O)NC2(C#N)CCC2)C(C)C)c1 ZINC000599628548 350467213 /nfs/dbraw/zinc/46/72/13/350467213.db2.gz ALIPVMAWQLHBIX-KRWDZBQOSA-N 0 3 299.418 2.844 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1ccc(C#N)cc1OC ZINC000599673433 350479091 /nfs/dbraw/zinc/47/90/91/350479091.db2.gz OCKYXPPXJMZNNN-UHFFFAOYSA-N 0 3 276.380 2.550 20 30 CFEDHN CC[C@@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000599679185 350480887 /nfs/dbraw/zinc/48/08/87/350480887.db2.gz XAYIQIMZSFJYFR-HNNXBMFYSA-N 0 3 258.365 2.536 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000599692439 350483891 /nfs/dbraw/zinc/48/38/91/350483891.db2.gz WVDAGNIDKJFVIU-YWVIFJGQSA-N 0 3 286.375 2.720 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCOC1 ZINC000107064492 186159118 /nfs/dbraw/zinc/15/91/18/186159118.db2.gz IHJMMJREAKMRST-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN C=CC(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600170055 350529371 /nfs/dbraw/zinc/52/93/71/350529371.db2.gz JCHLJFGLIDIESE-INIZCTEOSA-N 0 3 295.386 2.959 20 30 CFEDHN COCC(C)(C)CN1CCc2c(CC#N)cccc2C1 ZINC000600212231 350540880 /nfs/dbraw/zinc/54/08/80/350540880.db2.gz AFPZBYYFWVWCOW-UHFFFAOYSA-N 0 3 272.392 2.783 20 30 CFEDHN COC(=O)Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000600186490 350534070 /nfs/dbraw/zinc/53/40/70/350534070.db2.gz YZKMVPNWODBYKK-HZPDHXFCSA-N 0 3 286.375 2.574 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000271378312 191106879 /nfs/dbraw/zinc/10/68/79/191106879.db2.gz NIQCLUAFMREWSG-QGZVFWFLSA-N 0 3 284.403 2.571 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC1CC=CC1 ZINC000600223747 350542819 /nfs/dbraw/zinc/54/28/19/350542819.db2.gz AOUYIJMEIRLUML-INIZCTEOSA-N 0 3 268.360 2.841 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CCc1ccccc1)C(F)F ZINC000600314128 350549020 /nfs/dbraw/zinc/54/90/20/350549020.db2.gz STUGLAGOEOPHLW-ZYHUDNBSSA-N 0 3 266.291 2.529 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2ccc(C3CC3)cc2F)CC1 ZINC000600740988 350605069 /nfs/dbraw/zinc/60/50/69/350605069.db2.gz YLMLPEMMUDBFGT-OAHLLOKOSA-N 0 3 288.366 2.847 20 30 CFEDHN CC(C#N)C(=O)NCc1csc(C(F)(F)F)c1 ZINC000600682081 350596421 /nfs/dbraw/zinc/59/64/21/350596421.db2.gz JOUCORIDHDXOTR-ZCFIWIBFSA-N 0 3 262.256 2.543 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601020884 350646612 /nfs/dbraw/zinc/64/66/12/350646612.db2.gz HJBVWFDBFYRGLD-UHFFFAOYSA-N 0 3 299.418 2.699 20 30 CFEDHN C[C@](CO)(Cc1ccccc1F)NCc1ccc(C#N)cc1 ZINC000601152889 350682764 /nfs/dbraw/zinc/68/27/64/350682764.db2.gz IJQIQHXMPYAUDM-GOSISDBHSA-N 0 3 298.361 2.781 20 30 CFEDHN CC[C@H]1CN(C)CCCN1c1ccc(Cl)c(C#N)n1 ZINC000601192053 350692793 /nfs/dbraw/zinc/69/27/93/350692793.db2.gz PXCKIMDUBJIVIS-NSHDSACASA-N 0 3 278.787 2.527 20 30 CFEDHN CC(C)(F)CNC(=O)C(C#N)CCc1ccccc1 ZINC000601687402 350759380 /nfs/dbraw/zinc/75/93/80/350759380.db2.gz FBZRXGSKHMFKGR-CYBMUJFWSA-N 0 3 262.328 2.623 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000601689682 350760682 /nfs/dbraw/zinc/76/06/82/350760682.db2.gz IUKRZMNKWWNNCT-CKLFPEKLSA-N 0 3 296.729 2.585 20 30 CFEDHN CNCc1cccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000601565297 350739967 /nfs/dbraw/zinc/73/99/67/350739967.db2.gz JJKJJORINMSOOF-HIFRSBDPSA-N 0 3 286.379 2.562 20 30 CFEDHN C=CCN(CCn1ccccc1=O)CC1CCCCC1 ZINC000601755480 350772808 /nfs/dbraw/zinc/77/28/08/350772808.db2.gz HOUMPRJHDRHVRQ-UHFFFAOYSA-N 0 3 274.408 2.917 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000601888646 350798301 /nfs/dbraw/zinc/79/83/01/350798301.db2.gz CNWDVRKKHUUMPW-JHJVBQTASA-N 0 3 296.292 2.826 20 30 CFEDHN Cc1nccn1CCCCNCc1cccc(F)c1C#N ZINC000602011576 350830694 /nfs/dbraw/zinc/83/06/94/350830694.db2.gz OFDCQWDRKVXWGU-UHFFFAOYSA-N 0 3 286.354 2.772 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602014463 350831483 /nfs/dbraw/zinc/83/14/83/350831483.db2.gz DSYZUULRWLKQEO-NEPJUHHUSA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C)C[C@H](CCO)CNCc1cccc(F)c1C#N ZINC000602015128 350832218 /nfs/dbraw/zinc/83/22/18/350832218.db2.gz YLZJGFBTASLURK-ZDUSSCGKSA-N 0 3 278.371 2.832 20 30 CFEDHN CCC1(O)CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602016057 350832250 /nfs/dbraw/zinc/83/22/50/350832250.db2.gz SEOCAIMCZWJKHW-UHFFFAOYSA-N 0 3 276.355 2.871 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@H]1CCN1C1CCCC1 ZINC000602016590 350832500 /nfs/dbraw/zinc/83/25/00/350832500.db2.gz HHNMYBODVISGMV-OAHLLOKOSA-N 0 3 287.382 2.804 20 30 CFEDHN C[C@@H]1C[C@H](CNCc2cccc(F)c2C#N)[C@@H](C)O1 ZINC000602020696 350834267 /nfs/dbraw/zinc/83/42/67/350834267.db2.gz RZJRGJABWGJJMO-NQBHXWOUSA-N 0 3 262.328 2.600 20 30 CFEDHN C[C@@H](NC(=O)CN(C)CC(C)(C)C)c1cccc(C#N)c1 ZINC000602110849 350841761 /nfs/dbraw/zinc/84/17/61/350841761.db2.gz XNFMBBIPIASODD-CYBMUJFWSA-N 0 3 287.407 2.713 20 30 CFEDHN Cc1nccn1C[C@@H](C)CNCc1cccc(F)c1C#N ZINC000602004646 350827931 /nfs/dbraw/zinc/82/79/31/350827931.db2.gz WMCSJSZNLYJKTH-LBPRGKRZSA-N 0 3 286.354 2.628 20 30 CFEDHN C[C@H]1CCN(Cc2cccc(C#N)n2)CC12CCC2 ZINC000602595035 350939548 /nfs/dbraw/zinc/93/95/48/350939548.db2.gz FXTOTVCERMEMHQ-ZDUSSCGKSA-N 0 3 255.365 2.965 20 30 CFEDHN COc1ccc(CN(C)C)cc1NCc1cccc(C#N)n1 ZINC000602493579 350904884 /nfs/dbraw/zinc/90/48/84/350904884.db2.gz XGHJPTHEFBGAFL-UHFFFAOYSA-N 0 3 296.374 2.636 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccs1 ZINC000602512054 350910465 /nfs/dbraw/zinc/91/04/65/350910465.db2.gz UXOKVMRRTZLSDX-GFCCVEGCSA-N 0 3 264.394 2.937 20 30 CFEDHN Cc1ccccc1C[C@H](C)NCc1cccc(C#N)n1 ZINC000602517268 350912524 /nfs/dbraw/zinc/91/25/24/350912524.db2.gz FAXXUYNENJJENF-AWEZNQCLSA-N 0 3 265.360 2.983 20 30 CFEDHN Cc1occc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602519179 350913145 /nfs/dbraw/zinc/91/31/45/350913145.db2.gz UMGMBCXDGCGSFO-GFCCVEGCSA-N 0 3 262.353 2.777 20 30 CFEDHN CCN(CC)[C@H](CNCc1cccc(C#N)n1)c1ccco1 ZINC000602525834 350915043 /nfs/dbraw/zinc/91/50/43/350915043.db2.gz SNMGLPKAWGJDGF-MRXNPFEDSA-N 0 3 298.390 2.719 20 30 CFEDHN N#CCCCCNCc1nnn(-c2ccccc2)c1C1CC1 ZINC000602540637 350918271 /nfs/dbraw/zinc/91/82/71/350918271.db2.gz MJIZXLUVDNVBGV-UHFFFAOYSA-N 0 3 295.390 2.928 20 30 CFEDHN N#Cc1cccc(CN[C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000602546765 350920009 /nfs/dbraw/zinc/92/00/09/350920009.db2.gz KVPRVQYZEVWVCI-PBHICJAKSA-N 0 3 263.344 2.674 20 30 CFEDHN Cc1cc(C)cc(CCNCc2cccc(C#N)n2)c1 ZINC000602555611 350922926 /nfs/dbraw/zinc/92/29/26/350922926.db2.gz GBFAPOSBIIHHBE-UHFFFAOYSA-N 0 3 265.360 2.902 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)Oc1ccc(F)cc1 ZINC000602559888 350924644 /nfs/dbraw/zinc/92/46/44/350924644.db2.gz JEQYRNMMXHMPET-GFCCVEGCSA-N 0 3 285.322 2.649 20 30 CFEDHN C[C@H](NCc1cccc(C#N)n1)[C@H]1Oc2ccccc2[C@H]1C ZINC000602564369 350925670 /nfs/dbraw/zinc/92/56/70/350925670.db2.gz MHLNPFMVQUGCAS-VBHSOAQHSA-N 0 3 293.370 2.996 20 30 CFEDHN Cc1nc(C)c(CN[C@H](C)CC2(C#N)CCOCC2)s1 ZINC000602566207 350926742 /nfs/dbraw/zinc/92/67/42/350926742.db2.gz JNJJEFMCISVPLO-LLVKDONJSA-N 0 3 293.436 2.949 20 30 CFEDHN CC(C)c1nnc([C@@H](C)[NH2+]C2CCC(C#N)CC2)[n-]1 ZINC000602578169 350932031 /nfs/dbraw/zinc/93/20/31/350932031.db2.gz KKBWRDOQSNJUHT-VOMCLLRMSA-N 0 3 261.373 2.661 20 30 CFEDHN CC(C)c1nnc([C@@H](C)NC2CCC(C#N)CC2)[nH]1 ZINC000602578169 350932036 /nfs/dbraw/zinc/93/20/36/350932036.db2.gz KKBWRDOQSNJUHT-VOMCLLRMSA-N 0 3 261.373 2.661 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602581939 350933659 /nfs/dbraw/zinc/93/36/59/350933659.db2.gz LFNRXBAVVOYURL-OAHLLOKOSA-N 0 3 294.402 2.563 20 30 CFEDHN CC(C)(C)OC(=O)CCCCNCc1cccc(C#N)n1 ZINC000602583750 350934609 /nfs/dbraw/zinc/93/46/09/350934609.db2.gz SJZXXTLBSTYVHO-UHFFFAOYSA-N 0 3 289.379 2.555 20 30 CFEDHN COCC[C@H](NC[C@@H](C)CCC#N)c1ccco1 ZINC000602601798 350941509 /nfs/dbraw/zinc/94/15/09/350941509.db2.gz BDPAGXRQYLMWJF-STQMWFEESA-N 0 3 250.342 2.887 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(c2ccccc2F)CC1 ZINC000602428788 350878358 /nfs/dbraw/zinc/87/83/58/350878358.db2.gz KCVXRDKOPQJZMR-AWEZNQCLSA-N 0 3 275.371 2.888 20 30 CFEDHN C[C@@H](CCC#N)CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000602444494 350886136 /nfs/dbraw/zinc/88/61/36/350886136.db2.gz OGDQLQWJMGBVPD-INIZCTEOSA-N 0 3 299.418 2.774 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000602642069 350957882 /nfs/dbraw/zinc/95/78/82/350957882.db2.gz HPZSEXOUGJAUBE-FXUDXRNXSA-N 0 3 280.412 2.585 20 30 CFEDHN N#CCC1(CNCc2ccccc2OCCCCO)CC1 ZINC000602643264 350959370 /nfs/dbraw/zinc/95/93/70/350959370.db2.gz PHBWEDMUALCDFW-UHFFFAOYSA-N 0 3 288.391 2.621 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000602654528 350962819 /nfs/dbraw/zinc/96/28/19/350962819.db2.gz VGUQVSGRDNCQHV-HNNXBMFYSA-N 0 3 282.391 2.879 20 30 CFEDHN Cc1ccc(CN(CCN(C)C)C[C@H](C)CCC#N)o1 ZINC000602658411 350964443 /nfs/dbraw/zinc/96/44/43/350964443.db2.gz WKUYQSFGYMPYOU-CQSZACIVSA-N 0 3 277.412 2.892 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000602659712 350964782 /nfs/dbraw/zinc/96/47/82/350964782.db2.gz VUSXLGNWBICHRK-AWEZNQCLSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)Cc2ccccc21 ZINC000602668737 350968540 /nfs/dbraw/zinc/96/85/40/350968540.db2.gz FKEADSFLOGOMQD-CQSZACIVSA-N 0 3 257.381 2.878 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CSc3ccccc32)n1 ZINC000602674307 350971795 /nfs/dbraw/zinc/97/17/95/350971795.db2.gz XOLRIWZDAYSGMP-GFCCVEGCSA-N 0 3 281.384 2.932 20 30 CFEDHN N#Cc1cccc(CNCC2([C@H]3CCCCO3)CCC2)n1 ZINC000602740214 351010122 /nfs/dbraw/zinc/01/01/22/351010122.db2.gz HFKOWBFDCIOIAY-MRXNPFEDSA-N 0 3 285.391 2.782 20 30 CFEDHN N#Cc1cccc(CNC2CCC(C(F)F)CC2)n1 ZINC000602687407 350979376 /nfs/dbraw/zinc/97/93/76/350979376.db2.gz MAWYZKATANBIFU-UHFFFAOYSA-N 0 3 265.307 2.867 20 30 CFEDHN C[C@@H](O)[C@@H](NC[C@H](C)CCC#N)c1ccccc1F ZINC000602700386 350985790 /nfs/dbraw/zinc/98/57/90/350985790.db2.gz UAOFSQNXVMNNLI-LALPHHSUSA-N 0 3 264.344 2.777 20 30 CFEDHN C=CCCSCCNCc1cnc(OC)s1 ZINC000602712343 350994908 /nfs/dbraw/zinc/99/49/08/350994908.db2.gz ZNVFTPGPMJBAJS-UHFFFAOYSA-N 0 3 258.412 2.551 20 30 CFEDHN COC(=O)c1ccc(CNC[C@H](C)CCC#N)c(F)c1 ZINC000602713352 350994940 /nfs/dbraw/zinc/99/49/40/350994940.db2.gz LRKIJBIHVOLCDX-LLVKDONJSA-N 0 3 278.327 2.642 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CC[C@@H]2c2ccccc2)n1 ZINC000602717668 350998079 /nfs/dbraw/zinc/99/80/79/350998079.db2.gz LZGRESAPAWWPSE-IAGOWNOFSA-N 0 3 263.344 2.989 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)n1 ZINC000602720853 350999915 /nfs/dbraw/zinc/99/99/15/350999915.db2.gz FCBOXXXDDJSZQV-IXDOHACOSA-N 0 3 279.318 2.520 20 30 CFEDHN COCCN(Cc1cccc(C#N)n1)[C@H]1CC[C@H](C)C1 ZINC000602631119 350953627 /nfs/dbraw/zinc/95/36/27/350953627.db2.gz OYVKTWWRZLOCHM-BBRMVZONSA-N 0 3 273.380 2.590 20 30 CFEDHN N#CCC1(CN(CCCO)Cc2ccccc2)CC1 ZINC000602782559 351023510 /nfs/dbraw/zinc/02/35/10/351023510.db2.gz HUVUXWDWXNDTKE-UHFFFAOYSA-N 0 3 258.365 2.565 20 30 CFEDHN N#CCC1(CN2CCN(C3CCCCC3)CC2)CC1 ZINC000602782644 351023935 /nfs/dbraw/zinc/02/39/35/351023935.db2.gz FFBFBXWAXWTPHD-UHFFFAOYSA-N 0 3 261.413 2.631 20 30 CFEDHN CO[C@@]1(C)C[C@@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602786508 351024971 /nfs/dbraw/zinc/02/49/71/351024971.db2.gz QTKCHRLTZZOTIG-OCCSQVGLSA-N 0 3 250.386 2.816 20 30 CFEDHN N#CCC1(CN2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000602786434 351025247 /nfs/dbraw/zinc/02/52/47/351025247.db2.gz TXPIDSRSTVIMCM-UHFFFAOYSA-N 0 3 295.390 2.603 20 30 CFEDHN N#CCC1(CN[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000602793774 351028503 /nfs/dbraw/zinc/02/85/03/351028503.db2.gz LATMGCCBGDYTEC-INIZCTEOSA-N 0 3 280.375 2.908 20 30 CFEDHN N#CCC1(CN2CCC(Nc3ccccn3)CC2)CC1 ZINC000602798568 351028991 /nfs/dbraw/zinc/02/89/91/351028991.db2.gz LGYGLLZILDDXIP-UHFFFAOYSA-N 0 3 270.380 2.652 20 30 CFEDHN CCOC(=O)CC[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602798702 351029092 /nfs/dbraw/zinc/02/90/92/351029092.db2.gz FQWXDEBWIXKMTH-CQSZACIVSA-N 0 3 278.396 2.736 20 30 CFEDHN Cn1cc([C@@H](NCC2(CC#N)CC2)C(C)(C)C)cn1 ZINC000602804083 351031611 /nfs/dbraw/zinc/03/16/11/351031611.db2.gz IERCPVFJAMERAE-CYBMUJFWSA-N 0 3 260.385 2.791 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602812410 351034938 /nfs/dbraw/zinc/03/49/38/351034938.db2.gz WBXRIGIVIZSLSG-CYBMUJFWSA-N 0 3 278.396 2.734 20 30 CFEDHN CN(C)c1ccccc1CN(C)CC1(CC#N)CC1 ZINC000602827134 351039036 /nfs/dbraw/zinc/03/90/36/351039036.db2.gz AAEAVMGUPWDOCF-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN N#CCC1(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000602839557 351042279 /nfs/dbraw/zinc/04/22/79/351042279.db2.gz VDUNBQXFBMGKMY-KGLIPLIRSA-N 0 3 260.381 2.714 20 30 CFEDHN CC[C@H](CC(F)F)CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847382 351044290 /nfs/dbraw/zinc/04/42/90/351044290.db2.gz AYYWUTBTXQDWIC-RWMBFGLXSA-N 0 3 273.371 2.586 20 30 CFEDHN C[C@@H]1CN(CCCC2CCCC2)C[C@@H](C)N1CC#N ZINC000602858459 351047133 /nfs/dbraw/zinc/04/71/33/351047133.db2.gz BDRYNUALVNWDAU-HUUCEWRRSA-N 0 3 263.429 2.875 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](n3ccnn3)CC2)cc1F ZINC000602892153 351059729 /nfs/dbraw/zinc/05/97/29/351059729.db2.gz MIFXSBWBIKQPQF-HNNXBMFYSA-N 0 3 299.353 2.516 20 30 CFEDHN N#Cc1ccc(C2CCN(C[C@H]3CCCCO3)CC2)nc1 ZINC000602909701 351063068 /nfs/dbraw/zinc/06/30/68/351063068.db2.gz LOZAZOJDMLWBHX-MRXNPFEDSA-N 0 3 285.391 2.702 20 30 CFEDHN N#Cc1ccc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)nc1 ZINC000602908831 351063463 /nfs/dbraw/zinc/06/34/63/351063463.db2.gz UPDWGYHSGCOZCA-CJNGLKHVSA-N 0 3 280.375 2.825 20 30 CFEDHN C[C@@H]1CN(CC2(CC#N)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602916228 351064307 /nfs/dbraw/zinc/06/43/07/351064307.db2.gz MAPJMTSQTQDBSM-KGLIPLIRSA-N 0 3 292.423 2.980 20 30 CFEDHN CC[C@]1(O)CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000602741886 351011157 /nfs/dbraw/zinc/01/11/57/351011157.db2.gz XGTGLESUUYLJBA-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN CC(C)[C@@H](CN1CCN(CCC#N)CC1)c1ccccc1 ZINC000602748203 351012873 /nfs/dbraw/zinc/01/28/73/351012873.db2.gz LODSIVQXHFTEPH-GOSISDBHSA-N 0 3 285.435 2.957 20 30 CFEDHN C=C(C)CCN1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603001458 351089110 /nfs/dbraw/zinc/08/91/10/351089110.db2.gz IWSADONHORSKAQ-UHFFFAOYSA-N 0 3 278.352 2.607 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)C[C@@H](C)C(C)(C)C ZINC000603055116 351095856 /nfs/dbraw/zinc/09/58/56/351095856.db2.gz MRFODMWBPYJXIM-CHWSQXEVSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)Oc1ccccc1CNC1CCN(CC#N)CC1 ZINC000609335206 351496782 /nfs/dbraw/zinc/49/67/82/351496782.db2.gz XVQAPNSFJKPYKO-UHFFFAOYSA-N 0 3 287.407 2.551 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CC2CCCCC2)CC1 ZINC000609486594 351503242 /nfs/dbraw/zinc/50/32/42/351503242.db2.gz NKOAMGPBJHFQSF-INIZCTEOSA-N 0 3 263.429 2.732 20 30 CFEDHN CCN(Cc1ccc(C(=O)NC[C@H](C)C#N)cc1)C1CC1 ZINC000609523824 351505043 /nfs/dbraw/zinc/50/50/43/351505043.db2.gz RPDRYYWXTYLACE-CYBMUJFWSA-N 0 3 285.391 2.560 20 30 CFEDHN N#Cc1csc(CNCC2(CO)CC3(CCC3)C2)c1 ZINC000565341548 290294990 /nfs/dbraw/zinc/29/49/90/290294990.db2.gz ZLNCVSDBBGUORK-UHFFFAOYSA-N 0 3 276.405 2.652 20 30 CFEDHN CC(C)C[C@@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000609170212 351490595 /nfs/dbraw/zinc/49/05/95/351490595.db2.gz LLRRHQGKDSZSSH-KRWDZBQOSA-N 0 3 299.418 2.950 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(Cl)c1Cl ZINC000609919700 351527103 /nfs/dbraw/zinc/52/71/03/351527103.db2.gz CKPXSLIHWFVUKM-SSDOTTSWSA-N 0 3 257.120 2.769 20 30 CFEDHN COc1cccc(CN(CC(C)C)C(=O)C(C)C#N)c1 ZINC000609921959 351528635 /nfs/dbraw/zinc/52/86/35/351528635.db2.gz AXHFGVXLHPWRQK-CYBMUJFWSA-N 0 3 274.364 2.839 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000609921208 351528753 /nfs/dbraw/zinc/52/87/53/351528753.db2.gz ZMPAHEJTPKEBNL-LLVKDONJSA-N 0 3 260.337 2.640 20 30 CFEDHN COC(=O)CCN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000610211579 351540492 /nfs/dbraw/zinc/54/04/92/351540492.db2.gz IYVZYKVBHHIRSH-UHFFFAOYSA-N 0 3 288.391 2.992 20 30 CFEDHN CCN(C(=O)CN(C)C1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000610392456 351562998 /nfs/dbraw/zinc/56/29/98/351562998.db2.gz QFZNVZJCBSRQQK-AWEZNQCLSA-N 0 3 299.418 2.952 20 30 CFEDHN CC(C)N1CCC[C@H](N[C@H](C)c2cccc(C#N)c2)C1=O ZINC000610488990 351569804 /nfs/dbraw/zinc/56/98/04/351569804.db2.gz KRSPBEFMXACTEZ-CJNGLKHVSA-N 0 3 285.391 2.608 20 30 CFEDHN COC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)c[nH]1 ZINC000610652189 351588164 /nfs/dbraw/zinc/58/81/64/351588164.db2.gz ZYXFRYOQYOEHLO-LLVKDONJSA-N 0 3 283.331 2.524 20 30 CFEDHN C[C@@H](NCc1ccc2c(c1)nnn2C)c1cccc(C#N)c1 ZINC000610803771 351609715 /nfs/dbraw/zinc/60/97/15/351609715.db2.gz YFTCQZXEVAJQJJ-GFCCVEGCSA-N 0 3 291.358 2.691 20 30 CFEDHN CC[C@@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000610389443 351561145 /nfs/dbraw/zinc/56/11/45/351561145.db2.gz AKUPGOQROOUZTK-CJNGLKHVSA-N 0 3 287.407 2.856 20 30 CFEDHN CC[C@H](C(=O)N[C@H](C)c1cccc(C#N)c1)N(CC)CC ZINC000610389444 351561782 /nfs/dbraw/zinc/56/17/82/351561782.db2.gz AKUPGOQROOUZTK-CZUORRHYSA-N 0 3 287.407 2.856 20 30 CFEDHN CCN(CC#CCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000611140467 351644455 /nfs/dbraw/zinc/64/44/55/351644455.db2.gz ZILJBYABYNKQPX-AWEZNQCLSA-N 0 3 256.349 2.591 20 30 CFEDHN N#Cc1cnc(NC[C@H](c2ccccc2)N2CCCC2)cn1 ZINC000120576109 186909724 /nfs/dbraw/zinc/90/97/24/186909724.db2.gz FRCQHUXREFOVKU-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN N#Cc1ccc(C2=CCN([C@@H]3CCCOC3)CC2)cc1 ZINC000611245306 351656177 /nfs/dbraw/zinc/65/61/77/351656177.db2.gz FENRFVNXITYDMX-QGZVFWFLSA-N 0 3 268.360 2.826 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CC1=CCCOC1 ZINC000611254336 351658192 /nfs/dbraw/zinc/65/81/92/351658192.db2.gz UGNCGVJBMTWXGT-ZDUSSCGKSA-N 0 3 256.349 2.898 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993055 351629455 /nfs/dbraw/zinc/62/94/55/351629455.db2.gz AWLPURXFWUUNBE-GJZGRUSLSA-N 0 3 273.380 2.589 20 30 CFEDHN N#Cc1cc(CN2CCN(CC3CCCCC3)CC2)ccn1 ZINC000610991850 351630023 /nfs/dbraw/zinc/63/00/23/351630023.db2.gz UFCFZUFBQNUIAD-UHFFFAOYSA-N 0 3 298.434 2.651 20 30 CFEDHN CSC[C@@H](CCO)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393262 351681672 /nfs/dbraw/zinc/68/16/72/351681672.db2.gz RSYHGCLKWSKJHQ-ZBFHGGJFSA-N 0 3 290.432 2.639 20 30 CFEDHN N#Cc1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)ccn1 ZINC000611395638 351682517 /nfs/dbraw/zinc/68/25/17/351682517.db2.gz LJOWZFCKVSQNDP-WMZOPIPTSA-N 0 3 293.370 2.821 20 30 CFEDHN COC1(CN[C@H](C)c2ccc(C#N)c(F)c2)CCOCC1 ZINC000611465894 351693501 /nfs/dbraw/zinc/69/35/01/351693501.db2.gz FHMWTUHNBLBWKR-GFCCVEGCSA-N 0 3 292.354 2.544 20 30 CFEDHN COCC1(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611475912 351694969 /nfs/dbraw/zinc/69/49/69/351694969.db2.gz RAKAANQUVYGCOT-HNNXBMFYSA-N 0 3 256.349 2.704 20 30 CFEDHN C=CCOCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000611559913 351708653 /nfs/dbraw/zinc/70/86/53/351708653.db2.gz MUEBHTVZACTPDF-GFCCVEGCSA-N 0 3 264.325 2.756 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000612104415 351775141 /nfs/dbraw/zinc/77/51/41/351775141.db2.gz QRINNMKMODACBJ-QGZVFWFLSA-N 0 3 294.402 2.996 20 30 CFEDHN Cc1ccnc(NC[C@@H](C)N2CCC[C@@H](C)C2)c1C#N ZINC000612070388 351768706 /nfs/dbraw/zinc/76/87/06/351768706.db2.gz CAPUHFQGYCONCX-TZMCWYRMSA-N 0 3 272.396 2.794 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1[C@H](C)CC[C@@H]1C ZINC000123054918 187068828 /nfs/dbraw/zinc/06/88/28/187068828.db2.gz SVODNDWFKILHTG-BETUJISGSA-N 0 3 274.364 2.818 20 30 CFEDHN Cc1nc(N(C)CCCN(C)Cc2ccco2)ccc1C#N ZINC000291769755 198086319 /nfs/dbraw/zinc/08/63/19/198086319.db2.gz BRRZRHMCKKYDMT-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccc(C#N)c(C)n2)CC1 ZINC000291754473 198081448 /nfs/dbraw/zinc/08/14/48/198081448.db2.gz ANGJFIIQGPJUTR-UHFFFAOYSA-N 0 3 270.380 2.714 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc(C#N)c(C)n1 ZINC000291934602 198110493 /nfs/dbraw/zinc/11/04/93/198110493.db2.gz MLBPYBWNQCYGEO-AWEZNQCLSA-N 0 3 258.369 2.548 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000613490779 351969728 /nfs/dbraw/zinc/96/97/28/351969728.db2.gz XCDHMNPWJBEBDC-KGLIPLIRSA-N 0 3 289.375 2.691 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(F)c(OC)c1 ZINC000310662371 539829057 /nfs/dbraw/zinc/82/90/57/539829057.db2.gz JZRDNUVUDGJDFC-LLVKDONJSA-N 0 3 253.317 2.688 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000613666865 351995035 /nfs/dbraw/zinc/99/50/35/351995035.db2.gz PXZOTRAJMBHLRU-JBLDHEPKSA-N 0 3 270.336 2.611 20 30 CFEDHN COc1cccc2c1OCC[C@@H]2N[C@H]1CC[C@@H](C#N)C1 ZINC000613666842 351995155 /nfs/dbraw/zinc/99/51/55/351995155.db2.gz GETASFOEJUUFBO-DYEKYZERSA-N 0 3 272.348 2.801 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000614160807 352054138 /nfs/dbraw/zinc/05/41/38/352054138.db2.gz HOGXMSFBBWSCTF-UHFFFAOYSA-N 0 3 299.418 2.575 20 30 CFEDHN C[C@@H](Cn1cccn1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614167292 352056243 /nfs/dbraw/zinc/05/62/43/352056243.db2.gz IWBVKEWZWXLPPW-AWEZNQCLSA-N 0 3 282.391 2.863 20 30 CFEDHN CCN1CCN(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000614177550 352057259 /nfs/dbraw/zinc/05/72/59/352057259.db2.gz QRPQUORZJZDTFP-LBPRGKRZSA-N 0 3 277.799 2.738 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H]4CCC[C@H]43)o2)cc1 ZINC000614600682 352106619 /nfs/dbraw/zinc/10/66/19/352106619.db2.gz FAQKFQIWXXHZDT-UKRRQHHQSA-N 0 3 294.358 2.983 20 30 CFEDHN C=CCN(CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000271471108 191156862 /nfs/dbraw/zinc/15/68/62/191156862.db2.gz RBGJCDVFNBHCOK-UHFFFAOYSA-N 0 3 269.348 2.930 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC1CC1)C(C)C ZINC000616088451 352283313 /nfs/dbraw/zinc/28/33/13/352283313.db2.gz XFJXPBVEPNNGLM-INIZCTEOSA-N 0 3 293.455 2.736 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](n2cccn2)C1 ZINC000292026767 198137728 /nfs/dbraw/zinc/13/77/28/198137728.db2.gz YSNMDKWZYXBCJK-XJKSGUPXSA-N 0 3 266.348 2.763 20 30 CFEDHN Cc1ccccc1C[C@@H](CO)NCc1ccc(C#N)cc1 ZINC000188921256 539841498 /nfs/dbraw/zinc/84/14/98/539841498.db2.gz ZIMPLFGACQJLQI-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC)N(C)C ZINC000617039097 352474931 /nfs/dbraw/zinc/47/49/31/352474931.db2.gz CDEWSYCJVRNHDM-RDBSUJKOSA-N 0 3 252.402 2.578 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@@H](C(C)C)C1 ZINC000617065721 352488940 /nfs/dbraw/zinc/48/89/40/352488940.db2.gz FVIFDSCKVCSISC-QGZVFWFLSA-N 0 3 271.408 2.639 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617340710 352544659 /nfs/dbraw/zinc/54/46/59/352544659.db2.gz DXNDJABNDCIFGX-LBPRGKRZSA-N 0 3 252.402 2.578 20 30 CFEDHN CCCn1ccnc1CCCN(C)Cc1ccnc(C#N)c1 ZINC000617556612 352582697 /nfs/dbraw/zinc/58/26/97/352582697.db2.gz WYHXEQSGQXSSTG-UHFFFAOYSA-N 0 3 297.406 2.624 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC000617785902 352646420 /nfs/dbraw/zinc/64/64/20/352646420.db2.gz PENPSVOYBJIAHY-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OCCCC)c1 ZINC000273497433 192175775 /nfs/dbraw/zinc/17/57/75/192175775.db2.gz OOWDWRXRBUROJG-HNNXBMFYSA-N 0 3 293.407 2.901 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000617925764 352672720 /nfs/dbraw/zinc/67/27/20/352672720.db2.gz SUNKZQYHAHQJQE-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000617927678 352674142 /nfs/dbraw/zinc/67/41/42/352674142.db2.gz ALWLGVPRSUYOKQ-HNNXBMFYSA-N 0 3 264.413 2.698 20 30 CFEDHN CN(CCCNCc1ccc(C#N)o1)c1ccccc1 ZINC000135126710 187798648 /nfs/dbraw/zinc/79/86/48/187798648.db2.gz BEXMIZDYFCPRAV-UHFFFAOYSA-N 0 3 269.348 2.767 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000618571694 352813819 /nfs/dbraw/zinc/81/38/19/352813819.db2.gz MEFVJRSUEHDCJX-QWHCGFSZSA-N 0 3 289.335 2.646 20 30 CFEDHN Cc1cc(CN(CCO)CCc2ccccc2)ccc1C#N ZINC000618594372 352827542 /nfs/dbraw/zinc/82/75/42/352827542.db2.gz JKGFQOHNAYQZQC-UHFFFAOYSA-N 0 3 294.398 2.904 20 30 CFEDHN COc1ccccc1OCCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000618561714 352808568 /nfs/dbraw/zinc/80/85/68/352808568.db2.gz USYTWCYOIIUEKS-ZIAGYGMSSA-N 0 3 274.364 2.746 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cc(C)ccc1OC ZINC000271646582 191256670 /nfs/dbraw/zinc/25/66/70/191256670.db2.gz IHERXNBGULIPPU-KGLIPLIRSA-N 0 3 263.381 2.981 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618985945 352927992 /nfs/dbraw/zinc/92/79/92/352927992.db2.gz ALZPEQCTEZVJQO-HNNXBMFYSA-N 0 3 278.440 2.991 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2C[C@H](O)C(C)(C)C2)cc1 ZINC000619186796 352974947 /nfs/dbraw/zinc/97/49/47/352974947.db2.gz KIYWVIJLGZZUFO-HNNXBMFYSA-N 0 3 272.392 2.690 20 30 CFEDHN CCC(CC)CN(CCC#N)C[C@H]1CNc2ccnn2C1 ZINC000619264240 352988873 /nfs/dbraw/zinc/98/88/73/352988873.db2.gz CTMONZVNMQNZTN-OAHLLOKOSA-N 0 3 289.427 2.577 20 30 CFEDHN CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619268556 352989110 /nfs/dbraw/zinc/98/91/10/352989110.db2.gz WTDUZAUCLKPIQS-IUODEOHRSA-N 0 3 269.348 2.545 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC000619158305 352968277 /nfs/dbraw/zinc/96/82/77/352968277.db2.gz RBRLEVFFFZHYAL-AWEZNQCLSA-N 0 3 272.396 2.794 20 30 CFEDHN CCC#C[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785243 353066761 /nfs/dbraw/zinc/06/67/61/353066761.db2.gz PPJRUELTOQNLRR-CYBMUJFWSA-N 0 3 260.337 2.871 20 30 CFEDHN C[C@@H](CN1CCN(c2ncccc2C#N)CC1)C(C)(C)C ZINC000619844124 353068361 /nfs/dbraw/zinc/06/83/61/353068361.db2.gz YOAUMBQOAOQTSD-AWEZNQCLSA-N 0 3 286.423 2.757 20 30 CFEDHN C=C[C@@H](SCCN(C)Cc1ccccc1)C(=O)OC ZINC000619689402 353050070 /nfs/dbraw/zinc/05/00/70/353050070.db2.gz QFBRYWQVMUCGID-CQSZACIVSA-N 0 3 279.405 2.579 20 30 CFEDHN C#CCSCCNCc1ccc(OCC=C)c(OC)c1 ZINC000152918679 188053334 /nfs/dbraw/zinc/05/33/34/188053334.db2.gz MBZNUPYWQUDGSX-UHFFFAOYSA-N 0 3 291.416 2.716 20 30 CFEDHN C[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1 ZINC000153063970 188062484 /nfs/dbraw/zinc/06/24/84/188062484.db2.gz SVENIDMNYRPBTQ-WMLDXEAASA-N 0 3 292.386 2.883 20 30 CFEDHN C=CCCCN1CCN(Cc2csc(CC)n2)CC1 ZINC000154427659 188141212 /nfs/dbraw/zinc/14/12/12/188141212.db2.gz KQQLMIMURDZYCV-UHFFFAOYSA-N 0 3 279.453 2.789 20 30 CFEDHN C=CCCC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155637523 188218645 /nfs/dbraw/zinc/21/86/45/188218645.db2.gz RLJZRWBSHBFNEK-CQSZACIVSA-N 0 3 287.407 2.689 20 30 CFEDHN C=CC[C@H](C(=O)N1CCN[C@@H](C(C)C)C1)c1ccccc1 ZINC000621156978 353289098 /nfs/dbraw/zinc/28/90/98/353289098.db2.gz MABCPSLCMNBQKM-DLBZAZTESA-N 0 3 286.419 2.803 20 30 CFEDHN C=CCNC(=O)CN(CCc1ccc(F)cc1)CC(C)C ZINC000621316612 353321607 /nfs/dbraw/zinc/32/16/07/353321607.db2.gz MSGFIKBTLJPUHZ-UHFFFAOYSA-N 0 3 292.398 2.628 20 30 CFEDHN COc1cccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000271681440 191274896 /nfs/dbraw/zinc/27/48/96/191274896.db2.gz OYJSQINNSPZYQK-FZKQIMNGSA-N 0 3 296.370 2.951 20 30 CFEDHN C#CC[C@@H](NC[C@H](O)COc1ccccc1)c1ccccc1 ZINC000271696429 191280650 /nfs/dbraw/zinc/28/06/50/191280650.db2.gz LOJZAAUVNBFZHM-PKOBYXMFSA-N 0 3 295.382 2.781 20 30 CFEDHN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292715474 198387132 /nfs/dbraw/zinc/38/71/32/198387132.db2.gz DPYBPSUWMPONLX-AWEZNQCLSA-N 0 3 299.399 2.977 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000623422392 353640143 /nfs/dbraw/zinc/64/01/43/353640143.db2.gz VDPXZLYZPDOFME-OWCLPIDISA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000623462396 353649845 /nfs/dbraw/zinc/64/98/45/353649845.db2.gz IZMCOCGNCUHORN-CQSZACIVSA-N 0 3 281.444 2.620 20 30 CFEDHN CC(C)N1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000449784584 535242265 /nfs/dbraw/zinc/24/22/65/535242265.db2.gz BRISOPDUEVDUIP-LBPRGKRZSA-N 0 3 263.410 2.534 20 30 CFEDHN C=CCCNCc1cc(OCC)c(OC)cc1F ZINC000623563618 353673517 /nfs/dbraw/zinc/67/35/17/353673517.db2.gz DUSXBSVWXQMDSS-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000623578961 353677452 /nfs/dbraw/zinc/67/74/52/353677452.db2.gz HLNUVYNHUGSESX-UHFFFAOYSA-N 0 3 293.455 2.928 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC23CC3)CC1 ZINC000623634839 353691210 /nfs/dbraw/zinc/69/12/10/353691210.db2.gz ARCPYSDDZHMKEY-AWEZNQCLSA-N 0 3 291.439 2.516 20 30 CFEDHN C=CC[C@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000623491317 353655954 /nfs/dbraw/zinc/65/59/54/353655954.db2.gz ODTVPJXGFJHGKU-SECBINFHSA-N 0 3 265.300 2.794 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624156010 353821062 /nfs/dbraw/zinc/82/10/62/353821062.db2.gz MNSXKUGDDFPLRO-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000624326778 353862731 /nfs/dbraw/zinc/86/27/31/353862731.db2.gz UUZSGLINHMCWNV-QLFBSQMISA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000625702520 354089927 /nfs/dbraw/zinc/08/99/27/354089927.db2.gz ZBSCUEGTHAMGTD-HUUCEWRRSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000625702518 354090505 /nfs/dbraw/zinc/09/05/05/354090505.db2.gz ZBSCUEGTHAMGTD-GJZGRUSLSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000625704482 354090800 /nfs/dbraw/zinc/09/08/00/354090800.db2.gz UJUCRMJYHSTDSJ-AWEZNQCLSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCCc2ccccc2C)C1 ZINC000625704992 354091224 /nfs/dbraw/zinc/09/12/24/354091224.db2.gz WHZUGUPJCOYOMQ-INIZCTEOSA-N 0 3 286.419 2.552 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000625706033 354092681 /nfs/dbraw/zinc/09/26/81/354092681.db2.gz WMZTVYZNHKMHQN-HUUCEWRRSA-N 0 3 272.392 2.762 20 30 CFEDHN CCOCCN(CC#CCOC)[C@H]1CCc2ccccc21 ZINC000625977381 354158329 /nfs/dbraw/zinc/15/83/29/354158329.db2.gz GZXWBIFKSSDVPV-SFHVURJKSA-N 0 3 287.403 2.662 20 30 CFEDHN C=CCOc1c(Cl)cc(CN(C)[C@@H](C)CO)cc1OC ZINC000628279202 354516355 /nfs/dbraw/zinc/51/63/55/354516355.db2.gz ZLHPYTHYAPCQEM-NSHDSACASA-N 0 3 299.798 2.726 20 30 CFEDHN C=CCc1cc(CN(C)CC2(C)COC2)cc(OC)c1O ZINC000628423465 354583657 /nfs/dbraw/zinc/58/36/57/354583657.db2.gz WHEWFPKBAPUVCU-UHFFFAOYSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000628461325 354594651 /nfs/dbraw/zinc/59/46/51/354594651.db2.gz UXYVVTNGLDTECB-FUHWJXTLSA-N 0 3 287.403 2.846 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000628486314 354604136 /nfs/dbraw/zinc/60/41/36/354604136.db2.gz GFOCASXWWOPCMN-ZQDZILKHSA-N 0 3 264.413 2.672 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC=C(c3cccnc3)C2)C1 ZINC000336272163 283058141 /nfs/dbraw/zinc/05/81/41/283058141.db2.gz UJTGVZCKSHYYCF-CZUORRHYSA-N 0 3 253.349 2.863 20 30 CFEDHN C=CCCCCCN(C)C(=O)CN(C)C1CCC1 ZINC000629962952 354965879 /nfs/dbraw/zinc/96/58/79/354965879.db2.gz OEKNSQNCTRPOFY-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000630034723 354988409 /nfs/dbraw/zinc/98/84/09/354988409.db2.gz ZSFBPYALXFXLOH-QZTJIDSGSA-N 0 3 289.419 2.587 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000630034719 354988609 /nfs/dbraw/zinc/98/86/09/354988609.db2.gz ZSFBPYALXFXLOH-MSOLQXFVSA-N 0 3 289.419 2.587 20 30 CFEDHN C=CCCc1ccc(-c2cnc(N3CCNCC3)nc2)cc1 ZINC000630053191 354992664 /nfs/dbraw/zinc/99/26/64/354992664.db2.gz MVZZAYSCNDEHLK-UHFFFAOYSA-N 0 3 294.402 2.672 20 30 CFEDHN C[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271815547 191344746 /nfs/dbraw/zinc/34/47/46/191344746.db2.gz BKRGJAVOSNAVMY-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@H](NCCNc1ccccn1)c1cccc(C#N)c1 ZINC000271891450 191393783 /nfs/dbraw/zinc/39/37/83/191393783.db2.gz RZKKNBOPCAFBSY-ZDUSSCGKSA-N 0 3 266.348 2.716 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1ccc(C#N)nc1 ZINC000271897902 191397646 /nfs/dbraw/zinc/39/76/46/191397646.db2.gz YPWWQPZKPVTYRH-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN CC(C)C[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271972901 191440536 /nfs/dbraw/zinc/44/05/36/191440536.db2.gz XFIGTCVNVSGMAN-SMDDNHRTSA-N 0 3 264.344 2.755 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CCC)CCO ZINC000631197126 355343968 /nfs/dbraw/zinc/34/39/68/355343968.db2.gz SUCJUXNAADDFQZ-OAHLLOKOSA-N 0 3 263.381 2.892 20 30 CFEDHN C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc(C3CCOCC3)[n-]2)C1 ZINC000631214199 355353986 /nfs/dbraw/zinc/35/39/86/355353986.db2.gz SZWXQCFRSRFFPF-OCCSQVGLSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000631214199 355353987 /nfs/dbraw/zinc/35/39/87/355353987.db2.gz SZWXQCFRSRFFPF-OCCSQVGLSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CCc1cc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc(OC)c1O ZINC000631221970 355358811 /nfs/dbraw/zinc/35/88/11/355358811.db2.gz KEDSRGKQBWABLU-LALPHHSUSA-N 0 3 291.391 2.785 20 30 CFEDHN C=CC[C@H](CO)N[C@H](CC)c1cccc(OC)c1OC ZINC000631616684 355515708 /nfs/dbraw/zinc/51/57/08/355515708.db2.gz UWTZIHKAJRFOIO-TZMCWYRMSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2ncccc21 ZINC000631632926 355523855 /nfs/dbraw/zinc/52/38/55/355523855.db2.gz PFJRAUKKWYWIJS-XHSDSOJGSA-N 0 3 258.365 2.782 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000632483074 355707744 /nfs/dbraw/zinc/70/77/44/355707744.db2.gz QDCCXTJVYXIMJE-WBVHZDCISA-N 0 3 298.430 2.979 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000633085645 355800365 /nfs/dbraw/zinc/80/03/65/355800365.db2.gz DNXZMCWYXFYTAD-AWEZNQCLSA-N 0 3 281.444 2.620 20 30 CFEDHN C#CCSCCNCc1ccc(Oc2cnccn2)cc1 ZINC000174426832 188898679 /nfs/dbraw/zinc/89/86/79/188898679.db2.gz RRPWYXFGNKHRJQ-UHFFFAOYSA-N 0 3 299.399 2.725 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634273839 356135583 /nfs/dbraw/zinc/13/55/83/356135583.db2.gz JWHQVJHFCSDJTP-INIZCTEOSA-N 0 3 272.392 2.652 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000352852414 283145937 /nfs/dbraw/zinc/14/59/37/283145937.db2.gz JYGPYPNFHDIXDC-LBPRGKRZSA-N 0 3 284.281 2.846 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000376956351 283148607 /nfs/dbraw/zinc/14/86/07/283148607.db2.gz FYTJPQWCGFHPDD-QAPCUYQASA-N 0 3 278.355 2.869 20 30 CFEDHN C=CCCCC(=O)NCCCN(C)Cc1ccccc1 ZINC000175131776 188934957 /nfs/dbraw/zinc/93/49/57/188934957.db2.gz RTYJDXOOLPFQIR-UHFFFAOYSA-N 0 3 274.408 2.981 20 30 CFEDHN CN1CC=C(CNc2ccc(C#N)c(Cl)c2)CC1 ZINC000273716133 192275136 /nfs/dbraw/zinc/27/51/36/192275136.db2.gz GALCFSIHKCOBDK-UHFFFAOYSA-N 0 3 261.756 2.885 20 30 CFEDHN N#Cc1cccc(Cl)c1N1CC[C@@H](N2CCCC2)C1 ZINC000301410342 283206926 /nfs/dbraw/zinc/20/69/26/283206926.db2.gz OSGPKQQIMIPGEQ-CYBMUJFWSA-N 0 3 275.783 2.886 20 30 CFEDHN C=CCOCCNC(C)(C)c1ccc(F)c(F)c1 ZINC000294459170 199048507 /nfs/dbraw/zinc/04/85/07/199048507.db2.gz GFOAVGRYOAIKPE-UHFFFAOYSA-N 0 3 255.308 2.992 20 30 CFEDHN CC#CC(=O)NC[C@@H](c1ccc(CC)cc1)N(CC)CC ZINC000294480648 199055959 /nfs/dbraw/zinc/05/59/59/199055959.db2.gz JBWIJVSJTNGJHW-KRWDZBQOSA-N 0 3 286.419 2.771 20 30 CFEDHN C=CCOCCNCc1cnc(C(C)(C)C)s1 ZINC000383855356 540380487 /nfs/dbraw/zinc/38/04/87/540380487.db2.gz MWUKMXIESJPRQJ-UHFFFAOYSA-N 0 3 254.399 2.733 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000294766243 199173346 /nfs/dbraw/zinc/17/33/46/199173346.db2.gz BMHBICSNGPPJAP-MRXNPFEDSA-N 0 3 286.419 2.979 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000294855845 199215943 /nfs/dbraw/zinc/21/59/43/199215943.db2.gz BPEGKFKSTPSSHF-NSHDSACASA-N 0 3 284.325 2.710 20 30 CFEDHN C[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280876145 299285433 /nfs/dbraw/zinc/28/54/33/299285433.db2.gz AMPNDWAABZJROA-HXPMCKFVSA-N 0 3 276.405 2.510 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc(OC)c1F ZINC000669685147 540483232 /nfs/dbraw/zinc/48/32/32/540483232.db2.gz STKGNJJFKHCPDK-CJNGLKHVSA-N 0 3 279.355 2.905 20 30 CFEDHN C=CCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000665946330 540471025 /nfs/dbraw/zinc/47/10/25/540471025.db2.gz VYYHGMIYNCWBOC-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000678755214 540476847 /nfs/dbraw/zinc/47/68/47/540476847.db2.gz OOBKVGORTAHGKI-ZIAGYGMSSA-N 0 3 291.391 2.519 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000296873974 200022179 /nfs/dbraw/zinc/02/21/79/200022179.db2.gz AHZJSMDNHWHXDD-AWEZNQCLSA-N 0 3 262.353 2.563 20 30 CFEDHN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000297991065 200313341 /nfs/dbraw/zinc/31/33/41/200313341.db2.gz YNIVYSSMFGHYSD-MRXNPFEDSA-N 0 3 286.419 2.932 20 30 CFEDHN N#Cc1ccc(CNCCCNc2ccccn2)s1 ZINC000177589440 189058903 /nfs/dbraw/zinc/05/89/03/189058903.db2.gz ZFEVBDCHKMRJDQ-UHFFFAOYSA-N 0 3 272.377 2.607 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCCOC2)cc1 ZINC000177929668 189080135 /nfs/dbraw/zinc/08/01/35/189080135.db2.gz SFAAQACIAUOFCH-UKRRQHHQSA-N 0 3 259.349 2.528 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000178033138 189086809 /nfs/dbraw/zinc/08/68/09/189086809.db2.gz LEODQZVDNDQOCD-STQMWFEESA-N 0 3 279.380 2.682 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000178776889 189145390 /nfs/dbraw/zinc/14/53/90/189145390.db2.gz YLECHILCMXGUMY-IMJJTQAJSA-N 0 3 286.350 2.745 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000179661175 189210676 /nfs/dbraw/zinc/21/06/76/189210676.db2.gz HYJRIANAOMFTCN-OKILXGFUSA-N 0 3 256.349 2.655 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000179740229 189217563 /nfs/dbraw/zinc/21/75/63/189217563.db2.gz YMIJVTKOIJIBBM-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC)C(C)(C)c1ccccc1 ZINC000180011223 189231886 /nfs/dbraw/zinc/23/18/86/189231886.db2.gz HPJNECMPEBFVRZ-HNNXBMFYSA-N 0 3 274.408 2.635 20 30 CFEDHN C=CCN[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2 ZINC000180014631 189232859 /nfs/dbraw/zinc/23/28/59/189232859.db2.gz VNXJZWSIEVDORX-ZWNOBZJWSA-N 0 3 260.337 2.633 20 30 CFEDHN CCc1ccc(C(C)(C)CNC(=O)C(C)C#N)cc1 ZINC000431549701 383680991 /nfs/dbraw/zinc/68/09/91/383680991.db2.gz INLGVBZFSIWJGQ-LBPRGKRZSA-N 0 3 258.365 2.802 20 30 CFEDHN C=CCSCCN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000180459455 189256211 /nfs/dbraw/zinc/25/62/11/189256211.db2.gz XLSNYAGZGPOBTB-GFCCVEGCSA-N 0 3 290.436 2.916 20 30 CFEDHN C=CCC[C@H](NCCOC[C@@H]1CCOC1)c1ccco1 ZINC000671746747 541064801 /nfs/dbraw/zinc/06/48/01/541064801.db2.gz DCOCWUFAAIXQKI-CABCVRRESA-N 0 3 279.380 2.930 20 30 CFEDHN C[C@H](NCCOc1ccccc1C#N)c1cccnc1 ZINC000182892262 189338456 /nfs/dbraw/zinc/33/84/56/189338456.db2.gz VVLWQPWCPXWLHC-ZDUSSCGKSA-N 0 3 267.332 2.683 20 30 CFEDHN C[C@H]1[C@H](C)N(CCC2(C#N)CCCCC2)CCN1C ZINC000334565578 291300508 /nfs/dbraw/zinc/30/05/08/291300508.db2.gz PBXDCQJJXQAAEU-GJZGRUSLSA-N 0 3 263.429 2.875 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000433004198 240079061 /nfs/dbraw/zinc/07/90/61/240079061.db2.gz DCFJKCZKLOCPDC-WCFLWFBJSA-N 0 3 290.338 2.690 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)Nc1cccc(CN(C)C)c1 ZINC000275442353 193038806 /nfs/dbraw/zinc/03/88/06/193038806.db2.gz KJRQDWRFQIDZPI-QGZVFWFLSA-N 0 3 290.407 2.916 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275666186 193100081 /nfs/dbraw/zinc/10/00/81/193100081.db2.gz YKRMFFBZBGCFHM-HZPDHXFCSA-N 0 3 293.432 2.513 20 30 CFEDHN C=C(C)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000275712233 193111610 /nfs/dbraw/zinc/11/16/10/193111610.db2.gz MKDIGABIZVVJOZ-LBPRGKRZSA-N 0 3 267.394 2.707 20 30 CFEDHN C=CC[C@H](C)NC(=O)Nc1ccccc1CCN(C)C ZINC000275742471 193117839 /nfs/dbraw/zinc/11/78/39/193117839.db2.gz YWWZHRFRTZWVOW-ZDUSSCGKSA-N 0 3 275.396 2.877 20 30 CFEDHN Cc1cc(CN[C@H]2COc3ccccc3C2)ccc1C#N ZINC000443977948 241099227 /nfs/dbraw/zinc/09/92/27/241099227.db2.gz IOTVRNKJCWVVGP-QGZVFWFLSA-N 0 3 278.355 2.960 20 30 CFEDHN Cc1cc(CNCCNC(=O)CC2CCCC2)ccc1C#N ZINC000443982347 241100617 /nfs/dbraw/zinc/10/06/17/241100617.db2.gz QAASGJQLPXYRCW-UHFFFAOYSA-N 0 3 299.418 2.653 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000443318360 241051798 /nfs/dbraw/zinc/05/17/98/241051798.db2.gz JPFPMDIJXNFNKI-WQGACYEGSA-N 0 3 276.355 2.679 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1 ZINC000443315437 241053146 /nfs/dbraw/zinc/05/31/46/241053146.db2.gz UEPIPXRPNXTFOL-XJKCOSOUSA-N 0 3 258.365 2.540 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1 ZINC000443315429 241053669 /nfs/dbraw/zinc/05/36/69/241053669.db2.gz UEPIPXRPNXTFOL-DVOMOZLQSA-N 0 3 258.365 2.540 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)cc1 ZINC000443336445 241055086 /nfs/dbraw/zinc/05/50/86/241055086.db2.gz QGOFWCKXRMDTKW-DVOMOZLQSA-N 0 3 258.365 2.540 20 30 CFEDHN CC(C)C[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1 ZINC000445488341 241219104 /nfs/dbraw/zinc/21/91/04/241219104.db2.gz CYJISTMAXMTDRG-CQSZACIVSA-N 0 3 272.396 2.510 20 30 CFEDHN COc1ccc(CN(C)[C@H](CO)CC(C)(C)C)cc1C#N ZINC000449589009 242052537 /nfs/dbraw/zinc/05/25/37/242052537.db2.gz RNCAOIBLGKWWHT-HNNXBMFYSA-N 0 3 290.407 2.796 20 30 CFEDHN COc1cc(CN(C)[C@H](CO)CC(C)(C)C)ccc1C#N ZINC000449587884 242053982 /nfs/dbraw/zinc/05/39/82/242053982.db2.gz PKUOSWUFFJVBBA-HNNXBMFYSA-N 0 3 290.407 2.796 20 30 CFEDHN CO[C@H]([C@H](C)NCc1ccc(C#N)c(C)c1)C1CC1 ZINC000449629579 242075104 /nfs/dbraw/zinc/07/51/04/242075104.db2.gz KUQFUYTXXYIDRI-BLLLJJGKSA-N 0 3 258.365 2.770 20 30 CFEDHN CCCC[C@@H](COC)NCc1ccc(C#N)c(F)c1 ZINC000449735565 242124316 /nfs/dbraw/zinc/12/43/16/242124316.db2.gz IKGLVLIBHNHMMU-AWEZNQCLSA-N 0 3 264.344 2.992 20 30 CFEDHN Cc1cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)ccc1C#N ZINC000449782607 242158851 /nfs/dbraw/zinc/15/88/51/242158851.db2.gz LDWGWLJNGNFNBE-CVEARBPZSA-N 0 3 270.376 2.724 20 30 CFEDHN CC(C)N1C[C@H](C)[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450376763 242385449 /nfs/dbraw/zinc/38/54/49/242385449.db2.gz HNOKMOQXOQAIMM-SMDDNHRTSA-N 0 3 288.351 2.607 20 30 CFEDHN CC[C@H](CNc1c(C#N)cccc1C#N)N1CCCC1 ZINC000302852877 201576182 /nfs/dbraw/zinc/57/61/82/201576182.db2.gz QLGZVPBEXLRNHZ-OAHLLOKOSA-N 0 3 268.364 2.716 20 30 CFEDHN C[C@H](N[C@@H]1COCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000335221909 299398238 /nfs/dbraw/zinc/39/82/38/299398238.db2.gz KLYNALCRGJFKFJ-IINYFYTJSA-N 0 3 262.328 2.773 20 30 CFEDHN C=CCN(CCCCS(C)(=O)=O)CCc1ccccc1 ZINC000161699547 541742535 /nfs/dbraw/zinc/74/25/35/541742535.db2.gz MJKAZGLVZZFTGQ-UHFFFAOYSA-N 0 3 295.448 2.542 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000276359008 193299106 /nfs/dbraw/zinc/29/91/06/193299106.db2.gz ITSJZNPIZRYIPQ-OAHLLOKOSA-N 0 3 275.396 2.507 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC(F)F)cc1 ZINC000677047088 541813172 /nfs/dbraw/zinc/81/31/72/541813172.db2.gz RKDGAGKXDKRFDD-CYBMUJFWSA-N 0 3 271.307 2.657 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000459470827 245191240 /nfs/dbraw/zinc/19/12/40/245191240.db2.gz WBEPZNXJKWTLSO-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN COCC#CCN1CCC[C@@](C)(c2ccccc2)C1 ZINC000677133298 541825991 /nfs/dbraw/zinc/82/59/91/541825991.db2.gz QMXYKJCGKLXNQA-QGZVFWFLSA-N 0 3 257.377 2.690 20 30 CFEDHN CCC[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000459809501 245336479 /nfs/dbraw/zinc/33/64/79/245336479.db2.gz SRVOEGVDDNJDPR-HOTGVXAUSA-N 0 3 285.391 2.643 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000677478177 541864581 /nfs/dbraw/zinc/86/45/81/541864581.db2.gz PYGBCMICWGEEEE-PMPSAXMXSA-N 0 3 278.440 2.805 20 30 CFEDHN CCCN(CCC)CC(=O)Nc1cccc(C#N)c1 ZINC000019846795 372200623 /nfs/dbraw/zinc/20/06/23/372200623.db2.gz NUVQGJGLHGNEME-UHFFFAOYSA-N 0 3 259.353 2.619 20 30 CFEDHN C[C@H](CNc1ncccc1C#N)N1CCc2ccccc2C1 ZINC000026729919 372327697 /nfs/dbraw/zinc/32/76/97/372327697.db2.gz QLZGDNISNSWAMR-CQSZACIVSA-N 0 3 292.386 2.812 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000035046558 372534250 /nfs/dbraw/zinc/53/42/50/372534250.db2.gz CGJWQNAVLLPCEO-VIFPVBQESA-N 0 3 268.154 2.742 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000037319761 372664732 /nfs/dbraw/zinc/66/47/32/372664732.db2.gz IYBNUCGWDRATPW-KGLIPLIRSA-N 0 3 284.363 2.525 20 30 CFEDHN C=CCOc1ccc(CNC[C@H]2CCCCO2)cc1 ZINC000042813740 372957959 /nfs/dbraw/zinc/95/79/59/372957959.db2.gz ZODFBPJOYQEDPC-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN COC(=O)[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000191872649 284369361 /nfs/dbraw/zinc/36/93/61/284369361.db2.gz DBYXNQLZFQDQCP-WWGRRREGSA-N 0 3 286.375 2.750 20 30 CFEDHN N#Cc1c(F)cccc1N1CCN(C2CCCC2)CC1 ZINC000045026685 373014771 /nfs/dbraw/zinc/01/47/71/373014771.db2.gz CSQUISYOUAGZCB-UHFFFAOYSA-N 0 3 273.355 2.762 20 30 CFEDHN CCOc1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000046439791 373054575 /nfs/dbraw/zinc/05/45/75/373054575.db2.gz ZTHSWYQEOJGCRM-CYBMUJFWSA-N 0 3 266.300 2.970 20 30 CFEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H](C)C1 ZINC000263785508 383688051 /nfs/dbraw/zinc/68/80/51/383688051.db2.gz ZUTHJEPRXNAVNA-GJZGRUSLSA-N 0 3 285.391 2.664 20 30 CFEDHN N#Cc1cccc(CNCCOc2ccccc2)c1 ZINC000048777108 373220088 /nfs/dbraw/zinc/22/00/88/373220088.db2.gz ZBUUODZOWMXEOY-UHFFFAOYSA-N 0 3 252.317 2.727 20 30 CFEDHN CCOC(=O)CCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000055059361 373537464 /nfs/dbraw/zinc/53/74/64/373537464.db2.gz KPUUXYPQPHLDHY-CYBMUJFWSA-N 0 3 274.364 2.894 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(F)cc1C#N ZINC000451728226 383693388 /nfs/dbraw/zinc/69/33/88/383693388.db2.gz FBDOWQRELKOCOB-INIZCTEOSA-N 0 3 275.371 2.613 20 30 CFEDHN N#CCCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000060995344 373708022 /nfs/dbraw/zinc/70/80/22/373708022.db2.gz AVDUEZZRQFQSEA-UHFFFAOYSA-N 0 3 279.387 2.871 20 30 CFEDHN N#CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000061584355 373721771 /nfs/dbraw/zinc/72/17/71/373721771.db2.gz AKTRQOHQTWSCOA-UHFFFAOYSA-N 0 3 297.402 2.658 20 30 CFEDHN C[C@@H](CO)N(Cc1ccc(C#N)s1)CC1CCC1 ZINC000289550116 197398894 /nfs/dbraw/zinc/39/88/94/197398894.db2.gz RBMKYVWKZOKBIR-NSHDSACASA-N 0 3 264.394 2.603 20 30 CFEDHN CCCN(CCn1cccn1)Cc1ccc(C#N)cc1 ZINC000064141767 373818812 /nfs/dbraw/zinc/81/88/12/373818812.db2.gz GMZIAQJOWBEMTI-UHFFFAOYSA-N 0 3 268.364 2.667 20 30 CFEDHN CCC(=O)CCCN1CCCN(c2ccccc2C#N)CC1 ZINC000289535464 197393136 /nfs/dbraw/zinc/39/31/36/197393136.db2.gz GUSYUUNWYQSEEE-UHFFFAOYSA-N 0 3 299.418 2.830 20 30 CFEDHN C#C[C@H](NCc1c[nH]nc1-c1ccccc1)C(C)C ZINC000289523425 197389092 /nfs/dbraw/zinc/38/90/92/197389092.db2.gz PNGDDGXQHUDBGR-HNNXBMFYSA-N 0 3 253.349 2.824 20 30 CFEDHN COCC#CCN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000677818212 541909898 /nfs/dbraw/zinc/90/98/98/541909898.db2.gz HNXLQDJFJZEPSN-QZTJIDSGSA-N 0 3 287.403 2.736 20 30 CFEDHN COCC#CCN1CCCC[C@H]1Cc1ccccc1 ZINC000677818531 541910348 /nfs/dbraw/zinc/91/03/48/541910348.db2.gz QVPJWJXXLQTCPN-KRWDZBQOSA-N 0 3 257.377 2.733 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccncc2Cl)CC1 ZINC000073080352 374318601 /nfs/dbraw/zinc/31/86/01/374318601.db2.gz JTPJGHBKXMTUBR-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000073618665 374358340 /nfs/dbraw/zinc/35/83/40/374358340.db2.gz ZOBUYPMGQQHLGA-HUUCEWRRSA-N 0 3 264.413 2.698 20 30 CFEDHN N#Cc1ccc(NCCCN2CCc3ccccc3C2)nc1 ZINC000073587856 374353761 /nfs/dbraw/zinc/35/37/61/374353761.db2.gz RUAQVZLULHJZOV-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN COc1ccc(CN(C)CCCSCC#N)cc1 ZINC000074981316 374452524 /nfs/dbraw/zinc/45/25/24/374452524.db2.gz TWKZLFUZFDYKLK-UHFFFAOYSA-N 0 3 264.394 2.774 20 30 CFEDHN CN(CCCSCC#N)Cc1ccc(C#N)cc1 ZINC000074980929 374453269 /nfs/dbraw/zinc/45/32/69/374453269.db2.gz RPEDTEACUMOVLP-UHFFFAOYSA-N 0 3 259.378 2.637 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000678049341 541941927 /nfs/dbraw/zinc/94/19/27/541941927.db2.gz IBQAHXNWSYKXTR-OAHLLOKOSA-N 0 3 297.345 2.745 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[C@H](SCC)C1 ZINC000076068869 374528627 /nfs/dbraw/zinc/52/86/27/374528627.db2.gz LQNMAUCPDODXSN-CABCVRRESA-N 0 3 296.480 2.793 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000076149642 374538413 /nfs/dbraw/zinc/53/84/13/374538413.db2.gz DITHYIOGJWGOGU-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000076946838 374558430 /nfs/dbraw/zinc/55/84/30/374558430.db2.gz IEGHBVIHDSIKCF-UHFFFAOYSA-N 0 3 274.364 2.532 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000087595028 374825995 /nfs/dbraw/zinc/82/59/95/374825995.db2.gz NVFMCUBCHRWGTL-MRXNPFEDSA-N 0 3 271.408 2.915 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000087710225 374827750 /nfs/dbraw/zinc/82/77/50/374827750.db2.gz XLQXTUGDZXYGTK-JKSUJKDBSA-N 0 3 270.376 2.996 20 30 CFEDHN COc1ccc(CNCCOCCC(C)C)cc1C#N ZINC000087824092 374831190 /nfs/dbraw/zinc/83/11/90/374831190.db2.gz FLYQTXLZYYYPDO-UHFFFAOYSA-N 0 3 276.380 2.719 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000090016738 374986976 /nfs/dbraw/zinc/98/69/76/374986976.db2.gz DWIUKBSGVVLJTQ-JKSUJKDBSA-N 0 3 293.432 2.861 20 30 CFEDHN C=CCOc1ccc(CN(CCCO)C2CC2)cc1OC ZINC000678263782 541990333 /nfs/dbraw/zinc/99/03/33/541990333.db2.gz OGUBDZLUGDIESR-UHFFFAOYSA-N 0 3 291.391 2.607 20 30 CFEDHN C=CCc1cc(CN(CC)CCOCC)cc(OC)c1O ZINC000092537715 375120481 /nfs/dbraw/zinc/12/04/81/375120481.db2.gz YWDUAAKKOUMVSR-UHFFFAOYSA-N 0 3 293.407 2.988 20 30 CFEDHN CCCO[C@@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000093317059 375209154 /nfs/dbraw/zinc/20/91/54/375209154.db2.gz YRBKGXFLPVKAQG-CYBMUJFWSA-N 0 3 262.353 2.932 20 30 CFEDHN CC[C@H]1CN(CC(C)(C)CCC#N)CCN1CC(F)F ZINC000093767348 375306985 /nfs/dbraw/zinc/30/69/85/375306985.db2.gz QRTGEYKYNVYJPF-ZDUSSCGKSA-N 0 3 287.398 2.978 20 30 CFEDHN C=CCOc1ccccc1CN1CCc2cn[nH]c2C1 ZINC000678275934 541995944 /nfs/dbraw/zinc/99/59/44/541995944.db2.gz LOSHOFXAZXJGHA-UHFFFAOYSA-N 0 3 269.348 2.533 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000101637970 375647845 /nfs/dbraw/zinc/64/78/45/375647845.db2.gz GPXQHIQWSHRJTQ-KFWWJZLASA-N 0 3 299.418 2.778 20 30 CFEDHN CC(C)CN(Cc1cnn(C)c1)Cc1cccc(C#N)c1 ZINC000505794664 247153703 /nfs/dbraw/zinc/15/37/03/247153703.db2.gz DRZHJYKJBUTEMT-UHFFFAOYSA-N 0 3 282.391 2.950 20 30 CFEDHN C[C@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104699220 375786675 /nfs/dbraw/zinc/78/66/75/375786675.db2.gz PCDMPGIDACXHBW-YOEHRIQHSA-N 0 3 299.418 2.878 20 30 CFEDHN C[C@@H](N[C@H](c1ccccc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104699234 375785859 /nfs/dbraw/zinc/78/58/59/375785859.db2.gz PCDMPGIDACXHBW-RHSMWYFYSA-N 0 3 299.418 2.878 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC000678714478 542060482 /nfs/dbraw/zinc/06/04/82/542060482.db2.gz CRWZNZFGEAVQOR-HZPDHXFCSA-N 0 3 266.429 2.528 20 30 CFEDHN N#Cc1cc(F)ccc1N1CCN(C2CCCC2)CC1 ZINC000111036615 375832797 /nfs/dbraw/zinc/83/27/97/375832797.db2.gz JICYGKMKPCRACX-UHFFFAOYSA-N 0 3 273.355 2.762 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000678741958 542064188 /nfs/dbraw/zinc/06/41/88/542064188.db2.gz HSTWLSZYVUGCSJ-JSGCOSHPSA-N 0 3 279.380 2.600 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000678723537 542062327 /nfs/dbraw/zinc/06/23/27/542062327.db2.gz LONOHKUQKMYIEG-RHSMWYFYSA-N 0 3 299.418 2.988 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678723537 542062329 /nfs/dbraw/zinc/06/23/29/542062329.db2.gz LONOHKUQKMYIEG-RHSMWYFYSA-N 0 3 299.418 2.988 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000640100063 383711295 /nfs/dbraw/zinc/71/12/95/383711295.db2.gz LKBSEWDSJHQYSR-FGTMMUONSA-N 0 3 269.388 2.664 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC(C)(C)C1 ZINC000112702804 375950061 /nfs/dbraw/zinc/95/00/61/375950061.db2.gz QCVFXZRQFCWUDX-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN CCOCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113323615 376008947 /nfs/dbraw/zinc/00/89/47/376008947.db2.gz SYQBVTLCTUXAIU-UHFFFAOYSA-N 0 3 298.390 2.590 20 30 CFEDHN C=CC1CCN(C(=O)NCCN2CCCC[C@H]2CC)CC1 ZINC000113404371 376014846 /nfs/dbraw/zinc/01/48/46/376014846.db2.gz HTHPODDUEQTQJK-MRXNPFEDSA-N 0 3 293.455 2.859 20 30 CFEDHN N#Cc1ccc(CNCc2cccc(-c3nc[nH]n3)c2)cc1 ZINC000115620521 376144708 /nfs/dbraw/zinc/14/47/08/376144708.db2.gz UFVGMPJXULETND-UHFFFAOYSA-N 0 3 289.342 2.633 20 30 CFEDHN C[C@@H]1[C@H](C)SCCN1CCOc1cccc(C#N)c1 ZINC000118412688 376292638 /nfs/dbraw/zinc/29/26/38/376292638.db2.gz IJJOTTITFKJQQH-OLZOCXBDSA-N 0 3 276.405 2.763 20 30 CFEDHN Cc1cnn([C@@H]2CCCN(CCC(C)(C)C#N)C2)c1 ZINC000119918675 376504686 /nfs/dbraw/zinc/50/46/86/376504686.db2.gz IONRDGSJLXGZOP-CQSZACIVSA-N 0 3 260.385 2.768 20 30 CFEDHN CC(C)(C#N)CCN1CCC(Cn2cccn2)CC1 ZINC000119935985 376509795 /nfs/dbraw/zinc/50/97/95/376509795.db2.gz KLGUIRRNQNLQSX-UHFFFAOYSA-N 0 3 260.385 2.535 20 30 CFEDHN N#CCSCCCN1CCC[C@H]1c1ccncc1 ZINC000119866712 376492724 /nfs/dbraw/zinc/49/27/24/376492724.db2.gz RSUQOIIMDLOLPJ-AWEZNQCLSA-N 0 3 261.394 2.865 20 30 CFEDHN CCN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCCO1 ZINC000121025135 376747714 /nfs/dbraw/zinc/74/77/14/376747714.db2.gz ZNAPGFCFFGAUKY-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN COCC#CCN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000679220425 542137551 /nfs/dbraw/zinc/13/75/51/542137551.db2.gz KPZVIGBRZSVRMM-WFASDCNBSA-N 0 3 281.783 2.655 20 30 CFEDHN Cn1ccnc1C[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000123767792 376977870 /nfs/dbraw/zinc/97/78/70/376977870.db2.gz VVCFWPREYRPGQL-OAHLLOKOSA-N 0 3 294.402 2.746 20 30 CFEDHN C=CCNc1nnc(SCC[C@@H]2CCCN2C)s1 ZINC000124394164 377045318 /nfs/dbraw/zinc/04/53/18/377045318.db2.gz JZTLUYASFQLNFQ-JTQLQIEISA-N 0 3 284.454 2.712 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000123903796 376994389 /nfs/dbraw/zinc/99/43/89/376994389.db2.gz SLOLRNGGGRMMTM-HNNXBMFYSA-N 0 3 271.364 2.566 20 30 CFEDHN N#Cc1cccc(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000125868010 377198616 /nfs/dbraw/zinc/19/86/16/377198616.db2.gz XAFHPWDNBGEAQE-UHFFFAOYSA-N 0 3 288.351 2.754 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)C=C)C(C)C ZINC000128573378 377345802 /nfs/dbraw/zinc/34/58/02/377345802.db2.gz QRIZYFOLPNDITE-LSDHHAIUSA-N 0 3 279.428 2.559 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCc1ccc(Cl)cc1 ZINC000679327331 542168281 /nfs/dbraw/zinc/16/82/81/542168281.db2.gz HYILFCCDGVKWCT-AWEZNQCLSA-N 0 3 253.773 2.751 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000130308532 377537207 /nfs/dbraw/zinc/53/72/07/377537207.db2.gz CSAAQFYOVXMKJO-IAGOWNOFSA-N 0 3 275.367 2.803 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000130441115 377559215 /nfs/dbraw/zinc/55/92/15/377559215.db2.gz KZKSLBPDMVRELD-UHFFFAOYSA-N 0 3 286.354 2.724 20 30 CFEDHN C=CCOCCNCc1cnc(C2CCC2)s1 ZINC000679485398 542196718 /nfs/dbraw/zinc/19/67/18/542196718.db2.gz FKLPNJLHXGTMLY-UHFFFAOYSA-N 0 3 252.383 2.703 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CCCC ZINC000132663638 377862959 /nfs/dbraw/zinc/86/29/59/377862959.db2.gz NRKHPSZUKWXMJT-CQSZACIVSA-N 0 3 254.418 2.922 20 30 CFEDHN C=CCCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000133179814 377912207 /nfs/dbraw/zinc/91/22/07/377912207.db2.gz HOCZXACXSYRGMU-UHFFFAOYSA-N 0 3 274.408 2.979 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134619977 378037871 /nfs/dbraw/zinc/03/78/71/378037871.db2.gz DEAQCVGXBKTDOO-RYUDHWBXSA-N 0 3 254.374 2.550 20 30 CFEDHN C=C(Cl)CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134922766 378063344 /nfs/dbraw/zinc/06/33/44/378063344.db2.gz VMOHTOQKMRRLDG-OCCSQVGLSA-N 0 3 254.805 2.688 20 30 CFEDHN CCCCOCCCNCc1ccc(C#N)s1 ZINC000135665657 378154665 /nfs/dbraw/zinc/15/46/65/378154665.db2.gz NOJBNWVIBSOLOL-UHFFFAOYSA-N 0 3 252.383 2.916 20 30 CFEDHN N#Cc1ccc(CNCCCn2cnc3ccccc32)o1 ZINC000135133445 378088090 /nfs/dbraw/zinc/08/80/90/378088090.db2.gz GNDWHKZXWVWYHP-UHFFFAOYSA-N 0 3 280.331 2.681 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCN(C2CC2)CC1 ZINC000135152130 378092286 /nfs/dbraw/zinc/09/22/86/378092286.db2.gz OXIRXEMQAUWBRV-UHFFFAOYSA-N 0 3 283.419 2.768 20 30 CFEDHN C#CCN[C@](C)(CC)COc1ncccc1Cl ZINC000136237521 378190588 /nfs/dbraw/zinc/19/05/88/378190588.db2.gz ZEHYLGFKROGHTC-CYBMUJFWSA-N 0 3 252.745 2.505 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1cc(C#N)ccc1F ZINC000136310623 378194040 /nfs/dbraw/zinc/19/40/40/378194040.db2.gz FVFHAXIGGJLYMR-UHFFFAOYSA-N 0 3 286.354 2.724 20 30 CFEDHN C#CCCCCNCc1cc(OC)c(OC)cc1OC ZINC000150733996 378268309 /nfs/dbraw/zinc/26/83/09/378268309.db2.gz ZVOIRSYHFCPDGG-UHFFFAOYSA-N 0 3 277.364 2.606 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000148078469 378255152 /nfs/dbraw/zinc/25/51/52/378255152.db2.gz CUDDOGQQVBTQJA-AEGPPILISA-N 0 3 283.375 2.617 20 30 CFEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)CO)cc1 ZINC000151181018 378304263 /nfs/dbraw/zinc/30/42/63/378304263.db2.gz QLVCDIUGSGJGTK-VXGBXAGGSA-N 0 3 269.772 2.849 20 30 CFEDHN C#CCOc1ccccc1CNCC1(CCOC)CC1 ZINC000151210058 378307133 /nfs/dbraw/zinc/30/71/33/378307133.db2.gz XVBYFGQMOBBQJI-UHFFFAOYSA-N 0 3 273.376 2.605 20 30 CFEDHN Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)c(CN(C)C)c1 ZINC000151404945 378324348 /nfs/dbraw/zinc/32/43/48/378324348.db2.gz BQKCPQGXRXGEOP-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN N#Cc1cccc(CNCCOc2ccc(Cl)cn2)c1 ZINC000152151648 378399522 /nfs/dbraw/zinc/39/95/22/378399522.db2.gz XBLXJWOXLRNTRL-UHFFFAOYSA-N 0 3 287.750 2.775 20 30 CFEDHN Cc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cnn1C(C)C ZINC000329347385 378455828 /nfs/dbraw/zinc/45/58/28/378455828.db2.gz RTDOIISNHSTWLO-LBPRGKRZSA-N 0 3 290.411 2.727 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)C[C@H]1CCCCNC1=O ZINC000328774285 378424322 /nfs/dbraw/zinc/42/43/22/378424322.db2.gz BUTOKUMVOIIAQC-ZIAGYGMSSA-N 0 3 295.427 2.964 20 30 CFEDHN O=C(CN[C@@H]1CCC(=O)N[C@@H]1C1CC1)NC1CCCCC1 ZINC000328919859 378439018 /nfs/dbraw/zinc/43/90/18/378439018.db2.gz SRGGTZBDYUIZRZ-CZUORRHYSA-N 0 3 293.411 2.763 20 30 CFEDHN CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329897015 378511112 /nfs/dbraw/zinc/51/11/12/378511112.db2.gz CVHXROIZSPRBSQ-NSHDSACASA-N 0 3 297.424 2.521 20 30 CFEDHN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329897015 378511114 /nfs/dbraw/zinc/51/11/14/378511114.db2.gz CVHXROIZSPRBSQ-NSHDSACASA-N 0 3 297.424 2.521 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC000330430050 378553441 /nfs/dbraw/zinc/55/34/41/378553441.db2.gz HWXATAATHSZEPG-CQSZACIVSA-N 0 3 290.411 2.744 20 30 CFEDHN N#Cc1ccccc1CN1CCCC[C@H]1CC(N)=O ZINC000330461881 378561902 /nfs/dbraw/zinc/56/19/02/378561902.db2.gz SFIVWVSYJGSEDP-AWEZNQCLSA-N 0 3 257.337 2.838 20 30 CFEDHN N#Cc1ccccc1CN1CCCC[C@@H]1CC(N)=O ZINC000330461882 378562837 /nfs/dbraw/zinc/56/28/37/378562837.db2.gz SFIVWVSYJGSEDP-CQSZACIVSA-N 0 3 257.337 2.838 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000156146055 378636598 /nfs/dbraw/zinc/63/65/98/378636598.db2.gz BNLWULQXSPFUNE-CYBMUJFWSA-N 0 3 289.379 2.621 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000264359538 383730405 /nfs/dbraw/zinc/73/04/05/383730405.db2.gz GCZKPZTTYUYGMS-UHFFFAOYSA-N 0 3 291.370 2.988 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)n1 ZINC000155401252 378625011 /nfs/dbraw/zinc/62/50/11/378625011.db2.gz KYKZFASVRNQLEB-LLVKDONJSA-N 0 3 293.298 2.976 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(CCCC#N)C2)C1 ZINC000158636489 378671149 /nfs/dbraw/zinc/67/11/49/378671149.db2.gz BJIMAKWSJFTMAR-MRXNPFEDSA-N 0 3 293.411 2.623 20 30 CFEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1ccncc1 ZINC000159009033 378679940 /nfs/dbraw/zinc/67/99/40/378679940.db2.gz NGSCCHZFAULUBO-UHFFFAOYSA-N 0 3 270.380 2.880 20 30 CFEDHN CCC(C)(C)[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000156774523 378644178 /nfs/dbraw/zinc/64/41/78/378644178.db2.gz YHLWUUNVVBRUQD-PBHICJAKSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000332254999 378740092 /nfs/dbraw/zinc/74/00/92/378740092.db2.gz CTOPXDXUGNVPNZ-SWLSCSKDSA-N 0 3 281.363 2.617 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000332254999 378740101 /nfs/dbraw/zinc/74/01/01/378740101.db2.gz CTOPXDXUGNVPNZ-SWLSCSKDSA-N 0 3 281.363 2.617 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000160945394 378811308 /nfs/dbraw/zinc/81/13/08/378811308.db2.gz QCNFBPSOGRDILC-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C[C@@H]1[C@H](C)N(C)CCN1CC#Cc1ccccc1Cl ZINC000334175793 378900980 /nfs/dbraw/zinc/90/09/80/378900980.db2.gz BZLZMHCMIDWGKB-UONOGXRCSA-N 0 3 276.811 2.716 20 30 CFEDHN N#Cc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000334202948 378919256 /nfs/dbraw/zinc/91/92/56/378919256.db2.gz QCIMHWWGADDNSJ-UHFFFAOYSA-N 0 3 266.348 2.661 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000264382489 383733007 /nfs/dbraw/zinc/73/30/07/383733007.db2.gz LRNGFNWCXOWMGN-UHFFFAOYSA-N 0 3 291.370 2.988 20 30 CFEDHN C=CCCCCNCc1c(Br)cnn1C ZINC000278597517 194061852 /nfs/dbraw/zinc/06/18/52/194061852.db2.gz BVRNTWKCEIYMFZ-UHFFFAOYSA-N 0 3 272.190 2.629 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000636172333 383735278 /nfs/dbraw/zinc/73/52/78/383735278.db2.gz XARUDCUMWLVIDB-GDBMZVCRSA-N 0 3 276.424 2.818 20 30 CFEDHN CC[C@H](NCCOCC(F)F)c1ccc(C#N)cc1 ZINC000278866961 194189965 /nfs/dbraw/zinc/18/99/65/194189965.db2.gz WSKXKAQWGZUGIW-ZDUSSCGKSA-N 0 3 268.307 2.881 20 30 CFEDHN COc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccn1 ZINC000171140910 379243050 /nfs/dbraw/zinc/24/30/50/379243050.db2.gz LEWVNRYUQICXKB-CYBMUJFWSA-N 0 3 297.358 2.843 20 30 CFEDHN C[C@@H](NCCO[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278936534 194220584 /nfs/dbraw/zinc/22/05/84/194220584.db2.gz XTELVWDAZLWKOU-CJNGLKHVSA-N 0 3 274.364 2.752 20 30 CFEDHN CN1CCN(Cc2ccc(C#N)o2)c2ccccc2C1 ZINC000335482879 379379520 /nfs/dbraw/zinc/37/95/20/379379520.db2.gz MGKDNXRHTMAMJK-UHFFFAOYSA-N 0 3 267.332 2.603 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C)cc2C)CC1 ZINC000171725085 379385118 /nfs/dbraw/zinc/38/51/18/379385118.db2.gz UNERODWWZKMACU-UHFFFAOYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2cccc(F)c2)CC1 ZINC000171725030 379385388 /nfs/dbraw/zinc/38/53/88/379385388.db2.gz HZYDYLLESMZFDI-VOTSOKGWSA-N 0 3 288.366 2.606 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@]2(CCOC2)C1 ZINC000451905422 383736027 /nfs/dbraw/zinc/73/60/27/383736027.db2.gz RXDUUAKISVRPPP-QGZVFWFLSA-N 0 3 286.375 2.569 20 30 CFEDHN C=CCN1CCC(NC(=O)c2coc3ccccc23)CC1 ZINC000172020272 379469822 /nfs/dbraw/zinc/46/98/22/379469822.db2.gz BMQZQSMJZGMKAT-UHFFFAOYSA-N 0 3 284.359 2.813 20 30 CFEDHN C#CCOc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1 ZINC000172113713 379495832 /nfs/dbraw/zinc/49/58/32/379495832.db2.gz MWTWWJMEZOGELN-CYBMUJFWSA-N 0 3 283.375 2.591 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)cc1F ZINC000334569461 379546640 /nfs/dbraw/zinc/54/66/40/379546640.db2.gz RDSKCIOXANVHSL-CQSZACIVSA-N 0 3 282.318 2.660 20 30 CFEDHN N#Cc1ccc(Cl)cc1N1CCCN(C2CC2)CC1 ZINC000172409358 379560494 /nfs/dbraw/zinc/56/04/94/379560494.db2.gz AMZRHKLMHWUTKB-UHFFFAOYSA-N 0 3 275.783 2.886 20 30 CFEDHN C=CCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000172624266 379608272 /nfs/dbraw/zinc/60/82/72/379608272.db2.gz HTIOBNRWHIEPLN-OAHLLOKOSA-N 0 3 274.408 2.950 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000335668971 379690587 /nfs/dbraw/zinc/69/05/87/379690587.db2.gz IKIASMCTJNQFNT-LKFCYVNXSA-N 0 3 282.265 2.522 20 30 CFEDHN C[C@H]1C[C@@H](O)CCN1CCC1(C#N)CCCCC1 ZINC000334643944 379694458 /nfs/dbraw/zinc/69/44/58/379694458.db2.gz BTIFNLVVXJJFHF-KBPBESRZSA-N 0 3 250.386 2.696 20 30 CFEDHN CC[C@H]1CC[C@@H](C)N1Cc1cnc2ccc(C#N)cn12 ZINC000335660180 379675811 /nfs/dbraw/zinc/67/58/11/379675811.db2.gz ATLLLQROAWNGFS-OCCSQVGLSA-N 0 3 268.364 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)CCC[C@H]2C)CC1 ZINC000173198008 379710090 /nfs/dbraw/zinc/71/00/90/379710090.db2.gz HCNRNDADKVVPON-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN N#Cc1cccc(C(=O)N2CCCN(CC3CCC3)CC2)c1 ZINC000335757560 379841193 /nfs/dbraw/zinc/84/11/93/379841193.db2.gz QIUSSHNPWWLXFP-UHFFFAOYSA-N 0 3 297.402 2.506 20 30 CFEDHN N#Cc1ccc(CNC2CCN(c3ccccc3)CC2)o1 ZINC000174298495 379858870 /nfs/dbraw/zinc/85/88/70/379858870.db2.gz WHOPOUKAJJIXQP-UHFFFAOYSA-N 0 3 281.359 2.910 20 30 CFEDHN C[C@@H]1CCCN(C(C)(C)CNCc2ccc(C#N)o2)C1 ZINC000174299427 379860005 /nfs/dbraw/zinc/86/00/05/379860005.db2.gz BFJHZEDOWRDMEW-CYBMUJFWSA-N 0 3 275.396 2.751 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000335810621 379926885 /nfs/dbraw/zinc/92/68/85/379926885.db2.gz NKSWPIINUQJKSC-KWQFWETISA-N 0 3 264.325 2.638 20 30 CFEDHN CS[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000174406571 379878952 /nfs/dbraw/zinc/87/89/52/379878952.db2.gz JERPCFSBGQXUJQ-GXFFZTMASA-N 0 3 250.367 2.915 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000335839830 379974538 /nfs/dbraw/zinc/97/45/38/379974538.db2.gz AOCVOBWFEMACFE-CZUORRHYSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000335827452 379954807 /nfs/dbraw/zinc/95/48/07/379954807.db2.gz KWPAAXLQYJEANS-IUCAKERBSA-N 0 3 252.264 2.644 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000335864278 380016133 /nfs/dbraw/zinc/01/61/33/380016133.db2.gz RNSIVLQBITZRPH-CABCVRRESA-N 0 3 274.339 2.556 20 30 CFEDHN C=CCCCC(=O)NCc1cccc(CN(C)C)c1 ZINC000175216948 380022817 /nfs/dbraw/zinc/02/28/17/380022817.db2.gz KCHCLMQIPTXBMW-UHFFFAOYSA-N 0 3 260.381 2.721 20 30 CFEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CCCN1CC ZINC000175374059 380054380 /nfs/dbraw/zinc/05/43/80/380054380.db2.gz MCODEMJSOLRNKH-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000335888937 380056955 /nfs/dbraw/zinc/05/69/55/380056955.db2.gz ASDJAEIDIBVGGB-UONOGXRCSA-N 0 3 262.378 2.763 20 30 CFEDHN N#Cc1cccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000335247071 380076079 /nfs/dbraw/zinc/07/60/79/380076079.db2.gz CSOCKKKLEDJAKG-ROUUACIJSA-N 0 3 278.355 2.866 20 30 CFEDHN Cc1cc(CN2CCS[C@@H]3COCC[C@H]32)ccc1C#N ZINC000335226704 380040578 /nfs/dbraw/zinc/04/05/78/380040578.db2.gz BPCUKIUVUWGICW-HZPDHXFCSA-N 0 3 288.416 2.573 20 30 CFEDHN Cc1cc(CN2CCS[C@@H]3COCC[C@@H]32)ccc1C#N ZINC000335226705 380040832 /nfs/dbraw/zinc/04/08/32/380040832.db2.gz BPCUKIUVUWGICW-JKSUJKDBSA-N 0 3 288.416 2.573 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)c2ccccc12 ZINC000335231423 380049576 /nfs/dbraw/zinc/04/95/76/380049576.db2.gz UFKYXGOJUDVBPY-GFCCVEGCSA-N 0 3 252.317 2.924 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000335914299 380100466 /nfs/dbraw/zinc/10/04/66/380100466.db2.gz KTDBXAWEROXMHP-BXUZGUMPSA-N 0 3 286.379 2.651 20 30 CFEDHN COc1cccc(C2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000335998413 380215747 /nfs/dbraw/zinc/21/57/47/380215747.db2.gz CFFDWNGMGBKEOE-LBPRGKRZSA-N 0 3 272.348 2.561 20 30 CFEDHN C=C1CCN(Cc2cn(-c3ccncc3)nc2C)CC1 ZINC000336389949 380336579 /nfs/dbraw/zinc/33/65/79/380336579.db2.gz UQAJJVNURSASSP-UHFFFAOYSA-N 0 3 268.364 2.728 20 30 CFEDHN Cc1cc(F)ccc1C1CCN(C(=O)C(C)C#N)CC1 ZINC000336362646 380330091 /nfs/dbraw/zinc/33/00/91/380330091.db2.gz URNQBMHKZZRJHC-LBPRGKRZSA-N 0 3 274.339 3.000 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000177708337 380370557 /nfs/dbraw/zinc/37/05/57/380370557.db2.gz PJIKIDRGXMZGJM-TZMCWYRMSA-N 0 3 264.394 2.913 20 30 CFEDHN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000177528251 380351386 /nfs/dbraw/zinc/35/13/86/380351386.db2.gz ZJBGOHBYSNKSMW-GJZGRUSLSA-N 0 3 283.375 2.619 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000336531977 380424699 /nfs/dbraw/zinc/42/46/99/380424699.db2.gz RMBRVJPWVQTNOT-ZBFHGGJFSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000336531974 380425170 /nfs/dbraw/zinc/42/51/70/380425170.db2.gz RMBRVJPWVQTNOT-GDBMZVCRSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1c(CN2CC[C@H]([C@H]3CCOC3)C2)cn2ccccc12 ZINC000336530377 380422078 /nfs/dbraw/zinc/42/20/78/380422078.db2.gz OBLLMQNWSJFQMA-GJZGRUSLSA-N 0 3 295.386 2.669 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179166877 380516547 /nfs/dbraw/zinc/51/65/47/380516547.db2.gz FIRQIZHBWHMNCZ-CWRNSKLLSA-N 0 3 287.407 2.696 20 30 CFEDHN N#Cc1ccc(NCC2CCN(c3ccncc3)CC2)cn1 ZINC000180045878 380614125 /nfs/dbraw/zinc/61/41/25/380614125.db2.gz LMRQAVVKONAIFS-UHFFFAOYSA-N 0 3 293.374 2.677 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180137415 380624217 /nfs/dbraw/zinc/62/42/17/380624217.db2.gz HITQVPIVKBQYPL-RDJZCZTQSA-N 0 3 272.392 2.904 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000432557059 383747984 /nfs/dbraw/zinc/74/79/84/383747984.db2.gz KTBOUEXOZRJBTQ-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@](C)(O)C1CC1 ZINC000336814711 380676586 /nfs/dbraw/zinc/67/65/86/380676586.db2.gz GGPGNROLULCABW-MRXNPFEDSA-N 0 3 261.365 2.502 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000336802089 380654902 /nfs/dbraw/zinc/65/49/02/380654902.db2.gz SMPACHDUSGEHCA-GFCCVEGCSA-N 0 3 278.318 2.706 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000181098496 380737820 /nfs/dbraw/zinc/73/78/20/380737820.db2.gz XERUOFZEQLTFKJ-LBPRGKRZSA-N 0 3 279.405 2.721 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000181386835 380785443 /nfs/dbraw/zinc/78/54/43/380785443.db2.gz VDDAPWCKKSNKRK-ZDUSSCGKSA-N 0 3 298.333 2.631 20 30 CFEDHN C[C@@H](NCCCC#N)c1cccc(N2CCCC2=O)c1 ZINC000181445639 380793825 /nfs/dbraw/zinc/79/38/25/380793825.db2.gz ALUZIFDJBGPLBS-CYBMUJFWSA-N 0 3 271.364 2.768 20 30 CFEDHN C[C@H](NCCCC#N)c1cccc(N2CCCC2=O)c1 ZINC000181445618 380794355 /nfs/dbraw/zinc/79/43/55/380794355.db2.gz ALUZIFDJBGPLBS-ZDUSSCGKSA-N 0 3 271.364 2.768 20 30 CFEDHN C=CCSCCN[C@@H](C)c1cc(OC)ncc1F ZINC000287310371 380801503 /nfs/dbraw/zinc/80/15/03/380801503.db2.gz CYKKYNJTBLHMHW-JTQLQIEISA-N 0 3 270.373 2.799 20 30 CFEDHN N#Cc1sc(NCC23CCCN2CCC3)nc1Cl ZINC000287531661 380858166 /nfs/dbraw/zinc/85/81/66/380858166.db2.gz BEDSMSFNCYLATQ-UHFFFAOYSA-N 0 3 282.800 2.708 20 30 CFEDHN C[C@@H](C#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000347079988 380925805 /nfs/dbraw/zinc/92/58/05/380925805.db2.gz WAMILIUHFZKUTB-RDJZCZTQSA-N 0 3 299.418 2.735 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(CN[C@H]2CCC[C@H]2C#N)CC1 ZINC000408465365 380929228 /nfs/dbraw/zinc/92/92/28/380929228.db2.gz IUZNSJTUEONVSP-GJZGRUSLSA-N 0 3 291.439 2.553 20 30 CFEDHN COCC[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358562329 380929553 /nfs/dbraw/zinc/92/95/53/380929553.db2.gz GQTXYPHHEIKBKD-MNOVXSKESA-N 0 3 250.317 2.773 20 30 CFEDHN C=C(CC)CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000358505177 380888799 /nfs/dbraw/zinc/88/87/99/380888799.db2.gz HCMWSZOLIJEIMW-UHFFFAOYSA-N 0 3 294.361 2.539 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(Cl)nc1 ZINC000181767693 380890721 /nfs/dbraw/zinc/89/07/21/380890721.db2.gz RNIPMMDWZFNILR-LLVKDONJSA-N 0 3 254.761 2.978 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(Cl)nc1 ZINC000181767675 380891362 /nfs/dbraw/zinc/89/13/62/380891362.db2.gz RNIPMMDWZFNILR-NSHDSACASA-N 0 3 254.761 2.978 20 30 CFEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccccn1 ZINC000181788891 380895799 /nfs/dbraw/zinc/89/57/99/380895799.db2.gz WWJNVTOECZKMKR-CYBMUJFWSA-N 0 3 297.358 2.691 20 30 CFEDHN CO[C@@H]([C@@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000403978929 380897829 /nfs/dbraw/zinc/89/78/29/380897829.db2.gz ALYBKFLEJFFLBZ-BMIGLBTASA-N 0 3 262.328 2.600 20 30 CFEDHN CCOC(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000404098235 380899359 /nfs/dbraw/zinc/89/93/59/380899359.db2.gz DJPLBOQUYGCAOX-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN CN(CCCN1CCCC1)c1nc(Cl)c(C#N)s1 ZINC000287655334 380899492 /nfs/dbraw/zinc/89/94/92/380899492.db2.gz IIRCYOZRSIVLMC-UHFFFAOYSA-N 0 3 284.816 2.590 20 30 CFEDHN COCC(C)(C)N(C)Cc1ccc(C#N)c(F)c1 ZINC000404255242 380902390 /nfs/dbraw/zinc/90/23/90/380902390.db2.gz LQGGQTJTWYCVFT-UHFFFAOYSA-N 0 3 250.317 2.554 20 30 CFEDHN CC(C)(C)OC(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407990434 380912368 /nfs/dbraw/zinc/91/23/68/380912368.db2.gz OGOXJRWBEDZDKM-JSGCOSHPSA-N 0 3 278.396 2.732 20 30 CFEDHN C[C@@H](CO)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358552574 380920840 /nfs/dbraw/zinc/92/08/40/380920840.db2.gz GHOXAFYSRNSVGC-VXGBXAGGSA-N 0 3 264.344 2.757 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC[C@@H](C)C1 ZINC000408341940 380921591 /nfs/dbraw/zinc/92/15/91/380921591.db2.gz UPJQQLJYYGWITJ-FMKPAKJESA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC[C@@H](C)C1 ZINC000408341942 380922325 /nfs/dbraw/zinc/92/23/25/380922325.db2.gz UPJQQLJYYGWITJ-IIAWOOMASA-N 0 3 279.428 2.551 20 30 CFEDHN C[C@]1(NCc2cc(C#N)ccc2F)CCO[C@@H]1C1CC1 ZINC000368189231 380952483 /nfs/dbraw/zinc/95/24/83/380952483.db2.gz PHXQSAWESDMPNQ-CVEARBPZSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)C[C@H](C)O ZINC000358597783 380960210 /nfs/dbraw/zinc/96/02/10/380960210.db2.gz XUDSDZDWNQYPDB-GRYCIOLGSA-N 0 3 264.344 2.755 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000182079074 380986009 /nfs/dbraw/zinc/98/60/09/380986009.db2.gz ZMSGDVOCBJMSJY-AWEZNQCLSA-N 0 3 274.364 2.832 20 30 CFEDHN C#CCC(CC#C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000287773384 380935268 /nfs/dbraw/zinc/93/52/68/380935268.db2.gz ROYIMJAPJOZCHI-UHFFFAOYSA-N 0 3 282.387 2.658 20 30 CFEDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(C#N)cc1F ZINC000358570668 380936660 /nfs/dbraw/zinc/93/66/60/380936660.db2.gz NPCIYESBPZBQKW-NWDGAFQWSA-N 0 3 272.327 2.633 20 30 CFEDHN C[C@@H](NCCN1CCCCC1)c1ccc(C#N)cc1F ZINC000358578651 380945632 /nfs/dbraw/zinc/94/56/32/380945632.db2.gz WASZWVZWHGHUQK-CYBMUJFWSA-N 0 3 275.371 2.834 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000411140492 381010675 /nfs/dbraw/zinc/01/06/75/381010675.db2.gz XIWLHLVEHDFRAF-HNNXBMFYSA-N 0 3 299.418 2.707 20 30 CFEDHN COC(=O)[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411218802 381018382 /nfs/dbraw/zinc/01/83/82/381018382.db2.gz ORJRMLCQXGSZQC-AWEZNQCLSA-N 0 3 278.396 2.736 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000411225229 381019052 /nfs/dbraw/zinc/01/90/52/381019052.db2.gz RRJSZKAGTQISQM-KGLIPLIRSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H]1CCCCNC1=O ZINC000411254714 381021516 /nfs/dbraw/zinc/02/15/16/381021516.db2.gz GABUTCUBFHCPMW-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)CCC#N)c1 ZINC000411443366 381028351 /nfs/dbraw/zinc/02/83/51/381028351.db2.gz IIBDLEQXLWEYBR-NWDGAFQWSA-N 0 3 259.353 2.988 20 30 CFEDHN C[C@@H]1CCSCCN1CCOc1ccccc1C#N ZINC000279300367 194374274 /nfs/dbraw/zinc/37/42/74/194374274.db2.gz QGTYVWHRSLCIED-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000279301706 194374711 /nfs/dbraw/zinc/37/47/11/194374711.db2.gz QICDLYTXUXCKTR-JSGCOSHPSA-N 0 3 289.379 2.875 20 30 CFEDHN C[C@H]1CCSCCN1CCOc1ccccc1C#N ZINC000279300371 194375623 /nfs/dbraw/zinc/37/56/23/194375623.db2.gz QGTYVWHRSLCIED-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN C=CCCCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000279317626 194382864 /nfs/dbraw/zinc/38/28/64/194382864.db2.gz OXMKPMYUORVRJL-UHFFFAOYSA-N 0 3 295.452 2.788 20 30 CFEDHN Cc1nsc(NC[C@@H]2CCCN(C(C)C)C2)c1C#N ZINC000288073499 381005215 /nfs/dbraw/zinc/00/52/15/381005215.db2.gz HCMABPHPLKHIHL-LBPRGKRZSA-N 0 3 278.425 2.856 20 30 CFEDHN N#Cc1csc(CNC[C@@H](CO)CC2CCCC2)c1 ZINC000341500061 381051255 /nfs/dbraw/zinc/05/12/55/381051255.db2.gz MONVOEQNTGUBGF-AWEZNQCLSA-N 0 3 278.421 2.898 20 30 CFEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289575972 381053132 /nfs/dbraw/zinc/05/31/32/381053132.db2.gz SWMZHKGPLCIIPV-OLZOCXBDSA-N 0 3 292.810 2.688 20 30 CFEDHN CC[C@H](NCc1cc(C#N)ccc1OC)[C@@H]1CCCO1 ZINC000182356168 381074176 /nfs/dbraw/zinc/07/41/76/381074176.db2.gz MMHGUIGVLVKTNW-HOCLYGCPSA-N 0 3 274.364 2.614 20 30 CFEDHN Cc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000182321535 381061185 /nfs/dbraw/zinc/06/11/85/381061185.db2.gz BQXXWCJEZFKOQJ-PBHICJAKSA-N 0 3 287.407 2.700 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000358798219 381090637 /nfs/dbraw/zinc/09/06/37/381090637.db2.gz ZQLPAMLGDTUDOQ-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000295812082 381090693 /nfs/dbraw/zinc/09/06/93/381090693.db2.gz BDOQIYZHXJXCEA-BNOWGMLFSA-N 0 3 281.783 2.992 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1Cc1ccc(C#N)s1 ZINC000289671481 381093528 /nfs/dbraw/zinc/09/35/28/381093528.db2.gz NPERKYAUSGPOQF-QWHCGFSZSA-N 0 3 275.421 2.678 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](CC)c1c(C)noc1C ZINC000182512397 381104221 /nfs/dbraw/zinc/10/42/21/381104221.db2.gz RYSUWYLGMPCYTC-CHWSQXEVSA-N 0 3 252.358 2.659 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](CC)c1c(C)noc1C ZINC000182512381 381104667 /nfs/dbraw/zinc/10/46/67/381104667.db2.gz RYSUWYLGMPCYTC-OLZOCXBDSA-N 0 3 252.358 2.659 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000295887435 381138627 /nfs/dbraw/zinc/13/86/27/381138627.db2.gz DJMZJKGUYKQSHZ-RCCFBDPRSA-N 0 3 281.399 2.975 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccccn1 ZINC000289797058 381161771 /nfs/dbraw/zinc/16/17/71/381161771.db2.gz MKYDQGWHMVAHQZ-UHFFFAOYSA-N 0 3 294.402 2.517 20 30 CFEDHN C#Cc1ccc(CN[C@@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000289803961 381166182 /nfs/dbraw/zinc/16/61/82/381166182.db2.gz SMMWSMWIGKJAKC-ZDUSSCGKSA-N 0 3 288.391 2.671 20 30 CFEDHN Cc1c2c(nc(SC[C@@H](C)N(C)C)c1C#N)CCC2 ZINC000358868871 381130958 /nfs/dbraw/zinc/13/09/58/381130958.db2.gz WONHXQQMARVYLR-SNVBAGLBSA-N 0 3 275.421 2.793 20 30 CFEDHN C[C@H](NCCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000182666155 381132409 /nfs/dbraw/zinc/13/24/09/381132409.db2.gz KCKUPNZMWXBZMN-LBPRGKRZSA-N 0 3 271.368 2.710 20 30 CFEDHN CCCC[C@@H](C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000289815715 381170581 /nfs/dbraw/zinc/17/05/81/381170581.db2.gz JAPPEFMTYHTNHS-CQSZACIVSA-N 0 3 287.407 2.685 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@]1(C)CCCc2ccccc21 ZINC000341689510 381174129 /nfs/dbraw/zinc/17/41/29/381174129.db2.gz IAUYHEADHGWDHV-SFHVURJKSA-N 0 3 299.418 2.590 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1cc(C)cc(C)c1 ZINC000182876088 381176702 /nfs/dbraw/zinc/17/67/02/381176702.db2.gz OUARPKZBYFWGAN-OAHLLOKOSA-N 0 3 287.407 2.716 20 30 CFEDHN C=C(Br)CN1CCC[C@H](N2CCCCC2)C1 ZINC000369097788 381193213 /nfs/dbraw/zinc/19/32/13/381193213.db2.gz NIWUYIRDSIRGHQ-ZDUSSCGKSA-N 0 3 287.245 2.845 20 30 CFEDHN C=CCCCC(=O)N(CCC)CCN1CCCC1 ZINC000342169878 381218648 /nfs/dbraw/zinc/21/86/48/381218648.db2.gz XWYWXLNNSWWLAW-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN C=CCCCN1C[C@@H](CC)O[C@@]2(CCCOC2)C1 ZINC000369168342 381206173 /nfs/dbraw/zinc/20/61/73/381206173.db2.gz YPAZRAUZEDOCCT-CABCVRRESA-N 0 3 253.386 2.613 20 30 CFEDHN CO[C@]1(C)C[C@H](NCc2cccc(C#N)c2F)C1(C)C ZINC000359003833 381209107 /nfs/dbraw/zinc/20/91/07/381209107.db2.gz OKWYJCWJEFBIFB-XJKSGUPXSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](CC(C)C)C1 ZINC000342129598 381212319 /nfs/dbraw/zinc/21/23/19/381212319.db2.gz CCWDMZSUWSKDKW-CVEARBPZSA-N 0 3 278.440 2.944 20 30 CFEDHN C=C1CCN(C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000342159939 381216244 /nfs/dbraw/zinc/21/62/44/381216244.db2.gz KBLXTQOVVBFBGR-INIZCTEOSA-N 0 3 275.392 2.695 20 30 CFEDHN C=CCCCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000354262232 381168841 /nfs/dbraw/zinc/16/88/41/381168841.db2.gz AIPDCHSYHPVRMX-HNNXBMFYSA-N 0 3 264.413 2.866 20 30 CFEDHN C=CCN(CCc1cn[nH]c1)Cc1cccc(C#N)c1 ZINC000290003763 381257219 /nfs/dbraw/zinc/25/72/19/381257219.db2.gz LLKBMLPEAIMYRW-UHFFFAOYSA-N 0 3 266.348 2.512 20 30 CFEDHN C#CCOc1ccc([C@H](C)NC[C@@H](CC)OC)cc1 ZINC000290015194 381260728 /nfs/dbraw/zinc/26/07/28/381260728.db2.gz BYDHANHDLMEVNK-DZGCQCFKSA-N 0 3 261.365 2.774 20 30 CFEDHN CC(=O)NCC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000347629444 381262507 /nfs/dbraw/zinc/26/25/07/381262507.db2.gz KONDABLQYMAOFR-MRXNPFEDSA-N 0 3 299.418 2.605 20 30 CFEDHN N#Cc1cccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000290020566 381264736 /nfs/dbraw/zinc/26/47/36/381264736.db2.gz ZLBUXRGIAIGFHY-OALUTQOASA-N 0 3 292.382 2.814 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000342224134 381221950 /nfs/dbraw/zinc/22/19/50/381221950.db2.gz MVIHVPHNHWFZOA-QWHCGFSZSA-N 0 3 253.292 2.995 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000289931401 381222521 /nfs/dbraw/zinc/22/25/21/381222521.db2.gz VNDXKMNJVQROLC-GXFFZTMASA-N 0 3 287.281 2.709 20 30 CFEDHN C=C(C)COCCNCc1ccc([N+](=O)[O-])cc1C ZINC000183569424 381288870 /nfs/dbraw/zinc/28/88/70/381288870.db2.gz BOFCLEGXNMPLDZ-UHFFFAOYSA-N 0 3 264.325 2.586 20 30 CFEDHN COCc1ccc(CNCC(C)(C)CCC#N)o1 ZINC000342315681 381273830 /nfs/dbraw/zinc/27/38/30/381273830.db2.gz NDGGXDUVIFYGFN-UHFFFAOYSA-N 0 3 250.342 2.846 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(CCF)CC1)C(C)C ZINC000290151657 381322529 /nfs/dbraw/zinc/32/25/29/381322529.db2.gz NQDWHKNECCHABL-OAHLLOKOSA-N 0 3 296.430 2.941 20 30 CFEDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(C)C#N)cc1 ZINC000347729525 381319437 /nfs/dbraw/zinc/31/94/37/381319437.db2.gz HSGXZEPQAYNEEK-BPUTZDHNSA-N 0 3 286.375 2.739 20 30 CFEDHN N#CC(C(=O)c1ccc2c(c1)CCC=C2)c1ccncn1 ZINC000342463430 381343762 /nfs/dbraw/zinc/34/37/62/381343762.db2.gz PIKZAMZFWPINLT-OAHLLOKOSA-N 0 3 275.311 2.926 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1nccn1CC ZINC000296331534 381350493 /nfs/dbraw/zinc/35/04/93/381350493.db2.gz GHUKQXFCVYRZIZ-MCIONIFRSA-N 0 3 263.385 2.535 20 30 CFEDHN COc1ncccc1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000290298684 381373698 /nfs/dbraw/zinc/37/36/98/381373698.db2.gz YQEMSFTZNVPVID-GFCCVEGCSA-N 0 3 299.349 2.994 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296418130 381386247 /nfs/dbraw/zinc/38/62/47/381386247.db2.gz LGGRXWZQYDIWCW-VBQJREDUSA-N 0 3 273.376 2.950 20 30 CFEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccccn2)cn1 ZINC000049458984 412945111 /nfs/dbraw/zinc/94/51/11/412945111.db2.gz BUXPVROGIZJGAX-ZDUSSCGKSA-N 0 3 281.315 2.754 20 30 CFEDHN C[C@H](O)CCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000354742186 381433560 /nfs/dbraw/zinc/43/35/60/381433560.db2.gz YDZAWYQYTVNTQF-AWEZNQCLSA-N 0 3 270.376 2.808 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCCOC1 ZINC000342615538 381435488 /nfs/dbraw/zinc/43/54/88/381435488.db2.gz KTYJATRHKKHLOJ-QGZVFWFLSA-N 0 3 270.376 2.973 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@H](O)C(F)F ZINC000296551425 381444979 /nfs/dbraw/zinc/44/49/79/381444979.db2.gz RNVNJHDGCOBYML-JCOFBHIZSA-N 0 3 286.297 2.753 20 30 CFEDHN C=CC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348269248 381478445 /nfs/dbraw/zinc/47/84/45/381478445.db2.gz DCJWIXDLWPPESU-QGZVFWFLSA-N 0 3 293.370 2.665 20 30 CFEDHN C=CCCCN1CCN(Cc2cccc(F)c2)CC1 ZINC000348130144 381464533 /nfs/dbraw/zinc/46/45/33/381464533.db2.gz VDGFILUXRKNLRK-UHFFFAOYSA-N 0 3 262.372 2.910 20 30 CFEDHN CC(C)(C)CCN1CCN(c2cccnc2C#N)CC1 ZINC000290648275 381509677 /nfs/dbraw/zinc/50/96/77/381509677.db2.gz OOGDLJSOMWMELY-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1nccc2ccccc21 ZINC000290781009 381548008 /nfs/dbraw/zinc/54/80/08/381548008.db2.gz TXRJHENLWSKBNZ-JSGCOSHPSA-N 0 3 256.349 2.822 20 30 CFEDHN CCN1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000296988127 381548638 /nfs/dbraw/zinc/54/86/38/381548638.db2.gz FFWRVEMEJCAKAB-UHFFFAOYSA-N 0 3 263.772 2.744 20 30 CFEDHN C=CCOCCN[C@@H](COC)c1cccc(Cl)c1 ZINC000290701553 381526517 /nfs/dbraw/zinc/52/65/17/381526517.db2.gz NJUASEYFHZHSNZ-AWEZNQCLSA-N 0 3 269.772 2.820 20 30 CFEDHN Cn1cc(CN[C@H](c2ccccc2)C(C)(C)CO)cc1C#N ZINC000348359291 381529696 /nfs/dbraw/zinc/52/96/96/381529696.db2.gz NPFVOMLUNKIDKQ-QGZVFWFLSA-N 0 3 297.402 2.746 20 30 CFEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccncc1 ZINC000342779185 381534574 /nfs/dbraw/zinc/53/45/74/381534574.db2.gz PCDVTFBXBQAXEC-MRXNPFEDSA-N 0 3 291.358 2.842 20 30 CFEDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000354987189 381552117 /nfs/dbraw/zinc/55/21/17/381552117.db2.gz ZZOJHBLHRQMZEY-XFBWCDHKSA-N 0 3 292.354 2.542 20 30 CFEDHN C=CCC[C@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414236267 381572970 /nfs/dbraw/zinc/57/29/70/381572970.db2.gz HZIHNQFJTMLCEE-LBPRGKRZSA-N 0 3 267.394 2.534 20 30 CFEDHN C[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000342808975 381556563 /nfs/dbraw/zinc/55/65/63/381556563.db2.gz SPUYMRAILHDREX-CJNGLKHVSA-N 0 3 281.403 2.762 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348423724 381564318 /nfs/dbraw/zinc/56/43/18/381564318.db2.gz VOBXTTXGZIPGNK-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN C=CCN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297595145 381566791 /nfs/dbraw/zinc/56/67/91/381566791.db2.gz HTVFUXMBINXARQ-OAHLLOKOSA-N 0 3 272.392 2.620 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2OC(F)F)cc1F ZINC000348520473 381604644 /nfs/dbraw/zinc/60/46/44/381604644.db2.gz JWVOZTHIMLMVMX-STQMWFEESA-N 0 3 284.281 2.947 20 30 CFEDHN C=CCC(C)(C)CNCc1ccc(S(C)(=O)=O)s1 ZINC000414450906 381586260 /nfs/dbraw/zinc/58/62/60/381586260.db2.gz HYRROYOOJSIPMF-UHFFFAOYSA-N 0 3 287.450 2.844 20 30 CFEDHN C[C@@H]1C[C@H](O)CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000414528864 381592519 /nfs/dbraw/zinc/59/25/19/381592519.db2.gz UTVKNLKHTYFKTK-ZBFHGGJFSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1nccnc1OC ZINC000414543106 381592670 /nfs/dbraw/zinc/59/26/70/381592670.db2.gz YYLWKWQXBQKPGN-OAHLLOKOSA-N 0 3 283.375 2.762 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1nccn1C ZINC000414532732 381592799 /nfs/dbraw/zinc/59/27/99/381592799.db2.gz HXURMXBAZNRLMA-OAHLLOKOSA-N 0 3 255.365 2.697 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@@H](c4ccco4)C3)n2c1 ZINC000371331404 381593568 /nfs/dbraw/zinc/59/35/68/381593568.db2.gz HLGDHPZAKJZQJC-CQSZACIVSA-N 0 3 292.342 2.788 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccsc2)CC1 ZINC000348536513 381616861 /nfs/dbraw/zinc/61/68/61/381616861.db2.gz SCSPKASWWDPOFH-GFCCVEGCSA-N 0 3 278.421 2.618 20 30 CFEDHN C=CCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185384152 381618598 /nfs/dbraw/zinc/61/85/98/381618598.db2.gz ZJBCMGYIUDYJIJ-LBPRGKRZSA-N 0 3 278.371 2.832 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCCN1Cc1ccc(C#N)o1 ZINC000348555078 381635207 /nfs/dbraw/zinc/63/52/07/381635207.db2.gz ZHKPIBSWKFMURX-QWHCGFSZSA-N 0 3 262.353 2.667 20 30 CFEDHN C[C@H]1CCCC[C@@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298475201 381642864 /nfs/dbraw/zinc/64/28/64/381642864.db2.gz RUIJEVGMEHUJRX-YOEHRIQHSA-N 0 3 299.418 2.685 20 30 CFEDHN CCOCC(C)(C)NC(=O)C(C#N)CCc1ccccc1 ZINC000355169801 381654953 /nfs/dbraw/zinc/65/49/53/381654953.db2.gz DUVQQOJYUQSXCJ-OAHLLOKOSA-N 0 3 288.391 2.690 20 30 CFEDHN C[C@@H](N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(N)=O ZINC000359892513 381662241 /nfs/dbraw/zinc/66/22/41/381662241.db2.gz HVBLOFOASFSLBK-CHWSQXEVSA-N 0 3 293.370 2.750 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@H]1SC ZINC000298587556 381682032 /nfs/dbraw/zinc/68/20/32/381682032.db2.gz YEWFCNGWYQJVSQ-RRFJBIMHSA-N 0 3 276.405 2.557 20 30 CFEDHN C#CCC(C)(C)C(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000372003554 381735048 /nfs/dbraw/zinc/73/50/48/381735048.db2.gz OPKKTHRWBYXXGU-UHFFFAOYSA-N 0 3 299.418 2.558 20 30 CFEDHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000343468824 381735344 /nfs/dbraw/zinc/73/53/44/381735344.db2.gz MNDPOLRABJXMCE-OUAUKWLOSA-N 0 3 250.317 2.771 20 30 CFEDHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000343469504 381735597 /nfs/dbraw/zinc/73/55/97/381735597.db2.gz NKUDILFMFMSIPP-GARJFASQSA-N 0 3 250.317 2.771 20 30 CFEDHN C[C@H](NCCc1cccc(C#N)c1)c1cncs1 ZINC000343507083 381759132 /nfs/dbraw/zinc/75/91/32/381759132.db2.gz GZQQDNFCLRJWBX-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360059129 381756723 /nfs/dbraw/zinc/75/67/23/381756723.db2.gz FEXWRISIYVEBJG-UHOFOFEASA-N 0 3 285.391 2.501 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000185755358 381724894 /nfs/dbraw/zinc/72/48/94/381724894.db2.gz IGQICIBHKLPAEU-OCCSQVGLSA-N 0 3 274.364 2.876 20 30 CFEDHN Cc1nnc(C2CCN(Cc3cc(F)ccc3C#N)CC2)[nH]1 ZINC000371948103 381725392 /nfs/dbraw/zinc/72/53/92/381725392.db2.gz NLIGNGDBJMWRJY-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000360459318 381781632 /nfs/dbraw/zinc/78/16/32/381781632.db2.gz IHMADGZYGMCDHP-UTLUCORTSA-N 0 3 262.275 2.631 20 30 CFEDHN C=CCN(CCC#CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000360470670 381781782 /nfs/dbraw/zinc/78/17/82/381781782.db2.gz WAJVCYKFIRERRM-HNNXBMFYSA-N 0 3 295.390 2.625 20 30 CFEDHN C=CCCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000355592303 381784275 /nfs/dbraw/zinc/78/42/75/381784275.db2.gz AYJXMVUXSWSDQQ-ZBFHGGJFSA-N 0 3 289.423 2.943 20 30 CFEDHN C[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N(C)C1CC1 ZINC000355615704 381787352 /nfs/dbraw/zinc/78/73/52/381787352.db2.gz ACONOJZDHKJDQH-GOEBONIOSA-N 0 3 299.418 2.673 20 30 CFEDHN Cc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292058837 381789568 /nfs/dbraw/zinc/78/95/68/381789568.db2.gz BVFXDVCUTBORGE-KRWDZBQOSA-N 0 3 293.370 2.915 20 30 CFEDHN N#Cc1cccc(C2(NCCc3ccccn3)CC2)c1 ZINC000298978429 381790275 /nfs/dbraw/zinc/79/02/75/381790275.db2.gz PJRIHDRMZFTDEK-UHFFFAOYSA-N 0 3 263.344 2.775 20 30 CFEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccc(F)cn1 ZINC000343554610 381793752 /nfs/dbraw/zinc/79/37/52/381793752.db2.gz QTYWVOSCLWDKCH-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN CN(CCN1CCCC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000355672086 381793816 /nfs/dbraw/zinc/79/38/16/381793816.db2.gz JUKZDOITOQWSNG-QGZVFWFLSA-N 0 3 299.418 2.628 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C1(CO)CCC1 ZINC000292220934 381796577 /nfs/dbraw/zinc/79/65/77/381796577.db2.gz UYQVMYYVXLLSDP-UHFFFAOYSA-N 0 3 297.320 2.904 20 30 CFEDHN Cn1cc(CN[C@@H]2CCC[C@@H](C#N)C2)c(C(F)(F)F)n1 ZINC000185867734 381761888 /nfs/dbraw/zinc/76/18/88/381761888.db2.gz WJNXMUIUSZCDPF-MWLCHTKSSA-N 0 3 286.301 2.611 20 30 CFEDHN CC[C@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000298860627 381768137 /nfs/dbraw/zinc/76/81/37/381768137.db2.gz JLPYXKJFFHLEJR-XJKSGUPXSA-N 0 3 287.407 2.808 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000361351095 381821329 /nfs/dbraw/zinc/82/13/29/381821329.db2.gz JSNLLCYLSMNRPE-WOPDTQHZSA-N 0 3 260.312 2.738 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000361382802 381823211 /nfs/dbraw/zinc/82/32/11/381823211.db2.gz XJUWDFDLKQQCHA-RRFJBIMHSA-N 0 3 262.397 2.696 20 30 CFEDHN COCC1(C#N)CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361378476 381824246 /nfs/dbraw/zinc/82/42/46/381824246.db2.gz RDEDZKCSBMCBAH-HZPDHXFCSA-N 0 3 270.376 2.795 20 30 CFEDHN C=C(C)CN(CCN1CCCOCC1)Cc1ccccc1 ZINC000361388474 381825618 /nfs/dbraw/zinc/82/56/18/381825618.db2.gz FQLLAPWTEDTZDP-UHFFFAOYSA-N 0 3 288.435 2.787 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC(F)(F)[C@H](CO)C1 ZINC000361409611 381827901 /nfs/dbraw/zinc/82/79/01/381827901.db2.gz WNBGCSWWWOYPGW-LBPRGKRZSA-N 0 3 274.355 2.656 20 30 CFEDHN COCCOc1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000361463508 381832591 /nfs/dbraw/zinc/83/25/91/381832591.db2.gz MHNOCCIBKSRZNV-GDBMZVCRSA-N 0 3 288.391 2.884 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000361235319 381813403 /nfs/dbraw/zinc/81/34/03/381813403.db2.gz AALHZUGBSVUVMM-INIZCTEOSA-N 0 3 283.375 2.895 20 30 CFEDHN CN1CCC[C@]2(CCN(c3ccc(Cl)c(C#N)n3)C2)C1 ZINC000292714907 381818192 /nfs/dbraw/zinc/81/81/92/381818192.db2.gz GYRJBEDONIECNE-HNNXBMFYSA-N 0 3 290.798 2.529 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cccc(C#N)c1 ZINC000186294392 381875350 /nfs/dbraw/zinc/87/53/50/381875350.db2.gz HCZHWXCEQYPUFZ-AWEZNQCLSA-N 0 3 285.391 2.553 20 30 CFEDHN CN(C)[C@H](CC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000416194278 381881338 /nfs/dbraw/zinc/88/13/38/381881338.db2.gz HQMZUQWIQYGQSL-MRXNPFEDSA-N 0 3 299.418 2.832 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CN1CCCCCC1 ZINC000186322926 381881449 /nfs/dbraw/zinc/88/14/49/381881449.db2.gz WDEFFYSQBUJILN-OAHLLOKOSA-N 0 3 299.418 2.861 20 30 CFEDHN C=CC1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416163240 381881470 /nfs/dbraw/zinc/88/14/70/381881470.db2.gz XDJIUXUQWWDESV-UHFFFAOYSA-N 0 3 298.430 2.859 20 30 CFEDHN C=C(CC)CNC(=O)CCN1CCc2ccccc2C1 ZINC000416240747 381883035 /nfs/dbraw/zinc/88/30/35/381883035.db2.gz CBQAKWXUTWPCLV-UHFFFAOYSA-N 0 3 272.392 2.517 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](CC)c2ccccc2)CC1 ZINC000299155939 381846183 /nfs/dbraw/zinc/84/61/83/381846183.db2.gz OYGBIVYARSTBJF-KRWDZBQOSA-N 0 3 284.403 2.599 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC1CC1)C1CCC1 ZINC000361584161 381847223 /nfs/dbraw/zinc/84/72/23/381847223.db2.gz MRVCSKWGILKIQS-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000343630025 381853466 /nfs/dbraw/zinc/85/34/66/381853466.db2.gz ZSXXQOVCSMGXSD-OFQRWUPVSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCC[C@@H](C(=O)NCC1(N(C)C)CC1)c1ccccc1 ZINC000416306525 381886249 /nfs/dbraw/zinc/88/62/49/381886249.db2.gz GKEYTBMICLTXMM-MRXNPFEDSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCC(C)(C)CNCc1cnc(C2OCCO2)s1 ZINC000292844041 381861013 /nfs/dbraw/zinc/86/10/13/381861013.db2.gz BIAVLFZHXOEHIT-UHFFFAOYSA-N 0 3 282.409 2.880 20 30 CFEDHN C=CCN(CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000361776904 381863891 /nfs/dbraw/zinc/86/38/91/381863891.db2.gz XYMKQFAGTUKBRP-UHFFFAOYSA-N 0 3 280.375 2.967 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccccc1 ZINC000361840557 381865882 /nfs/dbraw/zinc/86/58/82/381865882.db2.gz UZNHSUGKXCESQB-INMHGKMJSA-N 0 3 257.377 2.519 20 30 CFEDHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1ccc(C#N)cc1 ZINC000299230978 381866217 /nfs/dbraw/zinc/86/62/17/381866217.db2.gz GSNJMCNVTSPCEX-OAGJVSPASA-N 0 3 299.418 2.664 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1cccc(CNC)c1 ZINC000415914706 381869381 /nfs/dbraw/zinc/86/93/81/381869381.db2.gz BJMFCXLPBQHNED-UHFFFAOYSA-N 0 3 261.369 2.836 20 30 CFEDHN Clc1cccc(C#CCN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000372796549 381870266 /nfs/dbraw/zinc/87/02/66/381870266.db2.gz CFBZLYJUNSSKRC-CVEARBPZSA-N 0 3 275.779 2.849 20 30 CFEDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000349349397 381901447 /nfs/dbraw/zinc/90/14/47/381901447.db2.gz ATZHBFJMZXGEHR-ZOWXZIJZSA-N 0 3 256.349 2.964 20 30 CFEDHN C#CCOc1ccc(CNC(C)(C)COCC)cc1 ZINC000292965081 381924767 /nfs/dbraw/zinc/92/47/67/381924767.db2.gz LTNUVWSJKJAVCQ-UHFFFAOYSA-N 0 3 261.365 2.603 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000299402325 381925357 /nfs/dbraw/zinc/92/53/57/381925357.db2.gz WCOWCLYPZVFLEC-MRXNPFEDSA-N 0 3 258.365 2.948 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000292893287 381888979 /nfs/dbraw/zinc/88/89/79/381888979.db2.gz GAUXKIWYLZRXKM-GFCCVEGCSA-N 0 3 257.312 2.685 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)C[C@@H](C)CC ZINC000343690471 381889218 /nfs/dbraw/zinc/88/92/18/381889218.db2.gz RJOKGZJKSJYDON-GJZGRUSLSA-N 0 3 266.429 2.944 20 30 CFEDHN COC(=O)[C@H]1CN([C@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000372919379 381889940 /nfs/dbraw/zinc/88/99/40/381889940.db2.gz CFKOUXCSWUBGPA-IUODEOHRSA-N 0 3 286.375 2.750 20 30 CFEDHN CC#CCN(C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000293054185 381968495 /nfs/dbraw/zinc/96/84/95/381968495.db2.gz IBHZDFYZFWVILF-CZUORRHYSA-N 0 3 295.810 2.734 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362156768 381933231 /nfs/dbraw/zinc/93/32/31/381933231.db2.gz NXUMCMHOFYWBPC-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(CNCc1c[nH]c(C(=O)OC)c1)c1ccccc1 ZINC000343783951 381941168 /nfs/dbraw/zinc/94/11/68/381941168.db2.gz OSPXINWLKKJYHE-UHFFFAOYSA-N 0 3 270.332 2.604 20 30 CFEDHN N#CC(C(=O)c1cccnc1)c1cc(C(F)(F)F)ccn1 ZINC000362184318 381949294 /nfs/dbraw/zinc/94/92/94/381949294.db2.gz IUOJBXXPXZDHNF-NSHDSACASA-N 0 3 291.232 2.985 20 30 CFEDHN CC#CCCCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000362300449 381998085 /nfs/dbraw/zinc/99/80/85/381998085.db2.gz LGPRMVLYIUZEQI-UHFFFAOYSA-N 0 3 258.365 2.880 20 30 CFEDHN C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C(C)(C)C1 ZINC000350328222 382012003 /nfs/dbraw/zinc/01/20/03/382012003.db2.gz MVWSLHORKYRSCR-CQSZACIVSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCOc1ccc(CN2CCC(OC)CC2)cc1 ZINC000349767008 381988215 /nfs/dbraw/zinc/98/82/15/381988215.db2.gz GEBTURNNHZDFMC-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000349801599 381990971 /nfs/dbraw/zinc/99/09/71/381990971.db2.gz MFKMHIBQZVIIJS-RDJZCZTQSA-N 0 3 280.375 2.713 20 30 CFEDHN C/C=C\C[C@@H](CO)NCc1cccc(OCCCC#N)c1 ZINC000349802708 381991311 /nfs/dbraw/zinc/99/13/11/381991311.db2.gz OKONRLFUEYECNT-YPQKKHBXSA-N 0 3 288.391 2.786 20 30 CFEDHN C#CCOc1ccccc1CN(C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000362385815 382041449 /nfs/dbraw/zinc/04/14/49/382041449.db2.gz JDGNMFVVFDYYGL-CGTJXYLNSA-N 0 3 299.414 2.944 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@](C)(CC)C1 ZINC000362391547 382047029 /nfs/dbraw/zinc/04/70/29/382047029.db2.gz PRJZGRYKABIAQA-INIZCTEOSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccc(OCC)cc1 ZINC000351615984 382048928 /nfs/dbraw/zinc/04/89/28/382048928.db2.gz PCZJZPBWEGCNSA-HNNXBMFYSA-N 0 3 263.381 2.844 20 30 CFEDHN N#CCCCN1CCC[C@H]1COc1ccc(F)cc1 ZINC000374618834 382051116 /nfs/dbraw/zinc/05/11/16/382051116.db2.gz ICKZVVJWPDOQNA-AWEZNQCLSA-N 0 3 262.328 2.973 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C2CC2)C1 ZINC000344007833 382063782 /nfs/dbraw/zinc/06/37/82/382063782.db2.gz HDXKQQKXYPICOT-UKRRQHHQSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](O)C(C)(C)C ZINC000343931807 382026416 /nfs/dbraw/zinc/02/64/16/382026416.db2.gz FRISBRMDSSLVIK-OAHLLOKOSA-N 0 3 281.396 2.557 20 30 CFEDHN CC(C)[C@@H]1CN(CCOc2cccc(C#N)c2)CCCO1 ZINC000293201556 382028971 /nfs/dbraw/zinc/02/89/71/382028971.db2.gz QVJKVUJGSAFXTN-KRWDZBQOSA-N 0 3 288.391 2.684 20 30 CFEDHN C=CCOCCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000293204681 382030943 /nfs/dbraw/zinc/03/09/43/382030943.db2.gz UNUBTLBHHSASMO-UHFFFAOYSA-N 0 3 279.384 2.575 20 30 CFEDHN N#CCCCCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375768985 382102476 /nfs/dbraw/zinc/10/24/76/382102476.db2.gz PDIQTUZKMKRSNK-OAHLLOKOSA-N 0 3 293.411 2.767 20 30 CFEDHN COCC[C@H]1CCCCN(C[C@H](C#N)CCC#N)C1 ZINC000375810347 382104263 /nfs/dbraw/zinc/10/42/63/382104263.db2.gz LBMJFKDZAJRXQL-CABCVRRESA-N 0 3 263.385 2.569 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](C2CC2)C1 ZINC000344068289 382104719 /nfs/dbraw/zinc/10/47/19/382104719.db2.gz QKTVAGLCSGWBDH-HNNXBMFYSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000344069252 382106208 /nfs/dbraw/zinc/10/62/08/382106208.db2.gz QPPNVYIERWXTSO-HZPDHXFCSA-N 0 3 276.424 2.864 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H]1CC=CCC1 ZINC000344069253 382106600 /nfs/dbraw/zinc/10/66/00/382106600.db2.gz QPPNVYIERWXTSO-JKSUJKDBSA-N 0 3 276.424 2.864 20 30 CFEDHN C#CCN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375853833 382108330 /nfs/dbraw/zinc/10/83/30/382108330.db2.gz REPMIKFMONTGEL-CQSZACIVSA-N 0 3 283.293 2.630 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344089489 382122405 /nfs/dbraw/zinc/12/24/05/382122405.db2.gz JGEPUKLPRIKOQQ-UKPHBRMFSA-N 0 3 291.439 2.551 20 30 CFEDHN CCN(CCNc1cc(C(C)=O)ccc1C#N)C(C)C ZINC000357238791 382073136 /nfs/dbraw/zinc/07/31/36/382073136.db2.gz XZUFAUYEMRPPSX-UHFFFAOYSA-N 0 3 273.380 2.903 20 30 CFEDHN Cc1nc(CO[C@H]2CCN(CCCCC#N)C2)cs1 ZINC000375396650 382083780 /nfs/dbraw/zinc/08/37/80/382083780.db2.gz WNVVXLBSKRIFLS-AWEZNQCLSA-N 0 3 279.409 2.736 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1cc(C)nn1C)C(C)C ZINC000417857456 382084539 /nfs/dbraw/zinc/08/45/39/382084539.db2.gz LKJAEAVVMZWMKS-QGZVFWFLSA-N 0 3 290.455 2.517 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@@](C)(C#N)CC ZINC000351965581 382098325 /nfs/dbraw/zinc/09/83/25/382098325.db2.gz UISPHTDMKGBHHX-GDBMZVCRSA-N 0 3 279.428 2.697 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cccnc1C#N ZINC000357458097 382179954 /nfs/dbraw/zinc/17/99/54/382179954.db2.gz XMQODLUALBKOOF-KBXCAEBGSA-N 0 3 292.386 2.886 20 30 CFEDHN CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000357355038 382129666 /nfs/dbraw/zinc/12/96/66/382129666.db2.gz NNPDXLXHYIXXFC-GOEBONIOSA-N 0 3 276.355 2.991 20 30 CFEDHN C#CCNC(=O)CCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000293576885 382183380 /nfs/dbraw/zinc/18/33/80/382183380.db2.gz SXGQLOMIHAZSFV-HNNXBMFYSA-N 0 3 290.794 2.616 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000344118822 382140298 /nfs/dbraw/zinc/14/02/98/382140298.db2.gz AGHSYUXWPZLZLY-VHDGCEQUSA-N 0 3 256.349 2.989 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H]1Oc1cc(F)cc(F)c1 ZINC000344126992 382144252 /nfs/dbraw/zinc/14/42/52/382144252.db2.gz DBUBEWIXSMCJKG-IIMNLJJBSA-N 0 3 294.301 2.541 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418653355 382170147 /nfs/dbraw/zinc/17/01/47/382170147.db2.gz OHRWKEFYICXHOA-DOMZBBRYSA-N 0 3 275.396 2.513 20 30 CFEDHN Cn1nc(CCNCc2ccc(C#N)s2)c2ccccc21 ZINC000187388486 382171179 /nfs/dbraw/zinc/17/11/79/382171179.db2.gz HLRVVUVBIOPACY-UHFFFAOYSA-N 0 3 296.399 2.839 20 30 CFEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000301816872 382195424 /nfs/dbraw/zinc/19/54/24/382195424.db2.gz JTHJKOQHMHXUQC-UHFFFAOYSA-N 0 3 286.335 2.529 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000352171568 382205900 /nfs/dbraw/zinc/20/59/00/382205900.db2.gz RFSDUCAQMKXWFR-CQSZACIVSA-N 0 3 277.343 2.803 20 30 CFEDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1 ZINC000344220791 382207702 /nfs/dbraw/zinc/20/77/02/382207702.db2.gz OLGUZSMHHAHFST-LBPRGKRZSA-N 0 3 274.364 2.768 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNCc1ccc(C#N)s1 ZINC000344224625 382212387 /nfs/dbraw/zinc/21/23/87/382212387.db2.gz QUXTZJPRZHDZBD-STQMWFEESA-N 0 3 277.437 2.972 20 30 CFEDHN CN1CCC[C@@H]2CN(c3snc(Cl)c3C#N)CC[C@H]21 ZINC000301709792 382188177 /nfs/dbraw/zinc/18/81/77/382188177.db2.gz JUMILPQDKNFUNB-MWLCHTKSSA-N 0 3 296.827 2.589 20 30 CFEDHN Cc1cc(CNc2nc3ccc(F)cc3[nH]2)ccc1C#N ZINC000362650076 382188695 /nfs/dbraw/zinc/18/86/95/382188695.db2.gz SNKYVIBHNDASCO-UHFFFAOYSA-N 0 3 280.306 2.916 20 30 CFEDHN Cc1ccc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)nc1C#N ZINC000357683620 382277124 /nfs/dbraw/zinc/27/71/24/382277124.db2.gz IMKLYKNRFHRGJT-KDOFPFPSSA-N 0 3 294.402 2.787 20 30 CFEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345110946 382285750 /nfs/dbraw/zinc/28/57/50/382285750.db2.gz JWTUJFBJEDFCAV-KGLIPLIRSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000345133724 382286928 /nfs/dbraw/zinc/28/69/28/382286928.db2.gz KSWARGUDKVFKAP-AWEZNQCLSA-N 0 3 276.336 2.619 20 30 CFEDHN C=CC[C@H](C)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363707463 382243452 /nfs/dbraw/zinc/24/34/52/382243452.db2.gz QQCQYEFGGXGFNI-GWCFXTLKSA-N 0 3 283.368 2.598 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000363814385 382248318 /nfs/dbraw/zinc/24/83/18/382248318.db2.gz GXBUTAXRWRJUQT-PKOBYXMFSA-N 0 3 298.430 2.914 20 30 CFEDHN C=CCC[C@@H](C)NCc1cc(C)nc(N2CCCC2)n1 ZINC000293748004 382260551 /nfs/dbraw/zinc/26/05/51/382260551.db2.gz REHDKYIAUXLAEC-CYBMUJFWSA-N 0 3 274.412 2.830 20 30 CFEDHN N#CC[C@@H]1CC[C@H](N[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000419262707 382263126 /nfs/dbraw/zinc/26/31/26/382263126.db2.gz TZLPYLYSJNHYAE-JQFCIGGWSA-N 0 3 297.402 2.678 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000344684323 382272069 /nfs/dbraw/zinc/27/20/69/382272069.db2.gz CCTXKRVPCFVUGS-CQSZACIVSA-N 0 3 291.439 2.697 20 30 CFEDHN COCC#CCN(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000680435784 542324959 /nfs/dbraw/zinc/32/49/59/542324959.db2.gz JAHXKAIFYPDKAY-SJORKVTESA-N 0 3 291.366 2.627 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000345840391 382317226 /nfs/dbraw/zinc/31/72/26/382317226.db2.gz ITWLDBYPKXWPTJ-SSDOTTSWSA-N 0 3 274.217 2.620 20 30 CFEDHN C#CCN1CCC(C(=O)NC(C)(C)c2ccccc2C)CC1 ZINC000293874582 382317583 /nfs/dbraw/zinc/31/75/83/382317583.db2.gz HZRWWRWJLSUHEG-UHFFFAOYSA-N 0 3 298.430 2.692 20 30 CFEDHN COc1ccc([C@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000357786171 382320985 /nfs/dbraw/zinc/32/09/85/382320985.db2.gz ABABYYUBBITJSP-SMDDNHRTSA-N 0 3 260.337 2.668 20 30 CFEDHN C[C@H]1CC[C@@](CO)(N(C)Cc2ccc(C#N)cc2F)C1 ZINC000188019925 382326385 /nfs/dbraw/zinc/32/63/85/382326385.db2.gz IVRRJDWOHDTJEN-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCOCCCN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000352431413 382330162 /nfs/dbraw/zinc/33/01/62/382330162.db2.gz LDLWTEHPSCXQKV-HUUCEWRRSA-N 0 3 265.397 2.613 20 30 CFEDHN CCN1C[C@H](C)N(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000346207885 382335988 /nfs/dbraw/zinc/33/59/88/382335988.db2.gz MXYWJAPYDNXJPE-GJZGRUSLSA-N 0 3 274.383 2.592 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346243266 382338103 /nfs/dbraw/zinc/33/81/03/382338103.db2.gz SHLLCXAVXCGEJQ-LBPRGKRZSA-N 0 3 274.368 2.676 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCc2ccccc2C1 ZINC000357827234 382339046 /nfs/dbraw/zinc/33/90/46/382339046.db2.gz ZPBYDJCXOWFLNC-BBRMVZONSA-N 0 3 270.376 2.942 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000357832826 382341814 /nfs/dbraw/zinc/34/18/14/382341814.db2.gz QTVIKNGNNPQPFV-LLVKDONJSA-N 0 3 299.305 2.789 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C2CC2)cc1 ZINC000419358029 382296840 /nfs/dbraw/zinc/29/68/40/382296840.db2.gz PTRAMGUPPYXSJD-OLZOCXBDSA-N 0 3 272.392 2.905 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419360272 382299113 /nfs/dbraw/zinc/29/91/13/382299113.db2.gz SCWAYTFWRUTQHL-GFCCVEGCSA-N 0 3 258.365 2.517 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(C(C)C)CC1 ZINC000352493807 382363685 /nfs/dbraw/zinc/36/36/85/382363685.db2.gz VNJYJWIABYCYLB-HNNXBMFYSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)ccc1Cl ZINC000293998065 382370691 /nfs/dbraw/zinc/37/06/91/382370691.db2.gz ONIUEDMBTPDQTJ-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN C=CCOCCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000294016865 382379500 /nfs/dbraw/zinc/37/95/00/382379500.db2.gz HBCBZWOATJJLLE-HNNXBMFYSA-N 0 3 289.423 2.601 20 30 CFEDHN COC[C@H](C)CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000188274236 382381025 /nfs/dbraw/zinc/38/10/25/382381025.db2.gz BNYJBSQQNJBREJ-GFCCVEGCSA-N 0 3 285.309 2.929 20 30 CFEDHN C[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000352539789 382386185 /nfs/dbraw/zinc/38/61/85/382386185.db2.gz CROHQRUGQCKUNN-VBQJREDUSA-N 0 3 297.402 2.641 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1cccs1 ZINC000346585733 382425731 /nfs/dbraw/zinc/42/57/31/382425731.db2.gz VTZPEVXLONFJGI-NEPJUHHUSA-N 0 3 291.420 2.740 20 30 CFEDHN C[C@@H](O)CC(C)(C)CNCc1cc(C#N)cs1 ZINC000304619888 382414007 /nfs/dbraw/zinc/41/40/07/382414007.db2.gz HUXKDNWMSMHOIR-SNVBAGLBSA-N 0 3 252.383 2.506 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1ccc(C#N)cc1F)OC ZINC000294099073 382414546 /nfs/dbraw/zinc/41/45/46/382414546.db2.gz BTBLFYNAEYOEQO-ABAIWWIYSA-N 0 3 264.344 2.848 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc2ccccc2c1 ZINC000294107729 382418708 /nfs/dbraw/zinc/41/87/08/382418708.db2.gz YUWGRGHAHONIOK-UHFFFAOYSA-N 0 3 280.371 2.525 20 30 CFEDHN C=CCCCCCN1CCN([C@H]2CCSC2)CC1 ZINC000365839173 382453280 /nfs/dbraw/zinc/45/32/80/382453280.db2.gz QOBKVXIMSKWJPB-HNNXBMFYSA-N 0 3 268.470 2.856 20 30 CFEDHN CC(C)CN1CCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352803120 382473333 /nfs/dbraw/zinc/47/33/33/382473333.db2.gz VBIRHBKSKZQZIA-AWEZNQCLSA-N 0 3 292.452 2.615 20 30 CFEDHN CC(C)[C@@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352806532 382475491 /nfs/dbraw/zinc/47/54/91/382475491.db2.gz ZAKNSCVYNYSGPJ-ZDUSSCGKSA-N 0 3 286.297 2.684 20 30 CFEDHN CO[C@@]1(C)CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000366275162 382496192 /nfs/dbraw/zinc/49/61/92/382496192.db2.gz VNNGFBIZOGSFEM-KRWDZBQOSA-N 0 3 298.390 2.597 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC(C)(C)O ZINC000352902737 382481161 /nfs/dbraw/zinc/48/11/61/382481161.db2.gz NPNBOBOJNNOGPA-UHFFFAOYSA-N 0 3 265.401 2.613 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000353034558 382490013 /nfs/dbraw/zinc/49/00/13/382490013.db2.gz RLULWTYNOWYZEP-SFHVURJKSA-N 0 3 298.430 2.798 20 30 CFEDHN COc1cc(CN[C@@H]2CCS[C@@H]2C)ccc1C#N ZINC000310905662 382499362 /nfs/dbraw/zinc/49/93/62/382499362.db2.gz XAKDCOFQZXNFOS-ZWNOBZJWSA-N 0 3 262.378 2.550 20 30 CFEDHN CC#CCCN1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C ZINC000420924262 382499401 /nfs/dbraw/zinc/49/94/01/382499401.db2.gz JNONCQKCCKNPBB-KBPBESRZSA-N 0 3 265.397 2.842 20 30 CFEDHN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1CCCC#N ZINC000420924716 382499412 /nfs/dbraw/zinc/49/94/12/382499412.db2.gz KILZGURPGMESEJ-OLZOCXBDSA-N 0 3 266.385 2.732 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CCCC#N)C1 ZINC000420995875 382502778 /nfs/dbraw/zinc/50/27/78/382502778.db2.gz AGAWPJWEPSLHOZ-OLZOCXBDSA-N 0 3 266.385 2.590 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CC(F)(F)F ZINC000188916466 382504187 /nfs/dbraw/zinc/50/41/87/382504187.db2.gz RFPLYVLJWPXHHS-AWEZNQCLSA-N 0 3 298.308 2.860 20 30 CFEDHN CC#CCCN1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421003469 382505350 /nfs/dbraw/zinc/50/53/50/382505350.db2.gz FFNAMVWOGKOEPQ-ZIAGYGMSSA-N 0 3 265.397 2.700 20 30 CFEDHN OCC[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000421015506 382505389 /nfs/dbraw/zinc/50/53/89/382505389.db2.gz LLWLGIARZCSUHE-INIZCTEOSA-N 0 3 275.367 2.662 20 30 CFEDHN C[C@@H](CCC#N)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421018444 382507009 /nfs/dbraw/zinc/50/70/09/382507009.db2.gz MQCXIDUVCYTMDU-HZSPNIEDSA-N 0 3 280.412 2.978 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](O)CC[C@H]2C)cc1 ZINC000421376837 382514301 /nfs/dbraw/zinc/51/43/01/382514301.db2.gz QTGSGEHSVJJBSE-HIFRSBDPSA-N 0 3 261.365 2.597 20 30 CFEDHN C#CCCN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000366478197 382515477 /nfs/dbraw/zinc/51/54/77/382515477.db2.gz DEBUHOIRXAURFU-LSDHHAIUSA-N 0 3 291.778 2.552 20 30 CFEDHN Cc1cc(C(F)(F)F)ccc1CNC(=O)C(C)C#N ZINC000346851308 382544216 /nfs/dbraw/zinc/54/42/16/382544216.db2.gz VVHZMNXJFVFOQC-SECBINFHSA-N 0 3 270.254 2.790 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)cc1F ZINC000346866323 382551513 /nfs/dbraw/zinc/55/15/13/382551513.db2.gz BAVJROWAHHAOIA-QCZZGDTMSA-N 0 3 262.328 2.507 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C2CC(c3ccccc3)C2)C1=O ZINC000366898637 382554250 /nfs/dbraw/zinc/55/42/50/382554250.db2.gz XTJJBTFQIOQVRA-OFLPRAFFSA-N 0 3 284.403 2.651 20 30 CFEDHN CO[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[C@H]1C ZINC000189259025 382576751 /nfs/dbraw/zinc/57/67/51/382576751.db2.gz GIQVTILMSNIAHM-WWGRRREGSA-N 0 3 258.365 2.976 20 30 CFEDHN Cc1nsc(N[C@@H]2CCN(C3CCCC3)C2)c1C#N ZINC000367286426 382562496 /nfs/dbraw/zinc/56/24/96/382562496.db2.gz KRZBXPFQWQYMPH-LLVKDONJSA-N 0 3 276.409 2.752 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000320226720 382536484 /nfs/dbraw/zinc/53/64/84/382536484.db2.gz HTFYKTCCVQXREJ-DGCLKSJQSA-N 0 3 267.344 2.812 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000295222511 382590659 /nfs/dbraw/zinc/59/06/59/382590659.db2.gz YGRBVQYYCXTROV-HOCLYGCPSA-N 0 3 286.419 2.978 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000295222510 382591069 /nfs/dbraw/zinc/59/10/69/382591069.db2.gz YGRBVQYYCXTROV-GOEBONIOSA-N 0 3 286.419 2.978 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccco1 ZINC000367615218 382578039 /nfs/dbraw/zinc/57/80/39/382578039.db2.gz KNICUQKZSZZLPH-HOTGVXAUSA-N 0 3 290.407 2.740 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)NC2(C#N)CCC2)c1 ZINC000346937856 382578687 /nfs/dbraw/zinc/57/86/87/382578687.db2.gz GLYITNAXAWYEGP-CQSZACIVSA-N 0 3 285.391 2.517 20 30 CFEDHN C[C@H]1CSC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000367690350 382582794 /nfs/dbraw/zinc/58/27/94/382582794.db2.gz RSWKMGIWQSXOBD-LKGAJIBZSA-N 0 3 272.417 2.951 20 30 CFEDHN CCC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000190217166 382657270 /nfs/dbraw/zinc/65/72/70/382657270.db2.gz HEKYJOBLJXZBSV-UHFFFAOYSA-N 0 3 286.375 2.771 20 30 CFEDHN C/C=C(\CC)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000190276936 382660427 /nfs/dbraw/zinc/66/04/27/382660427.db2.gz QMFAQEZVXVKQBW-YAXRCOADSA-N 0 3 299.418 2.805 20 30 CFEDHN C[C@@H]1CC[C@@H](CN2CCCN(c3ccccc3C#N)CC2)O1 ZINC000190380858 382664941 /nfs/dbraw/zinc/66/49/41/382664941.db2.gz ZMKSJEUWYIXGEH-WBVHZDCISA-N 0 3 299.418 2.638 20 30 CFEDHN C[C@H]1CSCCN(CCOc2ccccc2C#N)C1 ZINC000190472171 382670146 /nfs/dbraw/zinc/67/01/46/382670146.db2.gz VKURSZMUEOSLJR-CYBMUJFWSA-N 0 3 276.405 2.622 20 30 CFEDHN C[C@@H]1CCCC[C@H]1OCCNCc1cc(C#N)n(C)c1 ZINC000190804349 382681049 /nfs/dbraw/zinc/68/10/49/382681049.db2.gz SAXQOCWVZAQYEP-CZUORRHYSA-N 0 3 275.396 2.582 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000191446942 382700534 /nfs/dbraw/zinc/70/05/34/382700534.db2.gz OATHNKFSMXKQES-HZPDHXFCSA-N 0 3 287.407 2.676 20 30 CFEDHN C#Cc1cccc(N(CC)C(=O)C2CCN(C3CC3)CC2)c1 ZINC000192449971 382709076 /nfs/dbraw/zinc/70/90/76/382709076.db2.gz SMVGZZJKUKGMTN-UHFFFAOYSA-N 0 3 296.414 2.895 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1cnccn1)C(C)C ZINC000192903020 382713457 /nfs/dbraw/zinc/71/34/57/382713457.db2.gz SCYXTSORBKTOSQ-CQSZACIVSA-N 0 3 260.385 2.587 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC1CCC1)C(C)C ZINC000193214115 382717048 /nfs/dbraw/zinc/71/70/48/382717048.db2.gz IMKHIJSSMIGMAA-CQSZACIVSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCCCCCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000193308313 382718484 /nfs/dbraw/zinc/71/84/84/382718484.db2.gz HWDJSQJYMGEWRO-AWEZNQCLSA-N 0 3 273.442 2.632 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000193354220 382719089 /nfs/dbraw/zinc/71/90/89/382719089.db2.gz SISPXNZSADGUSP-TUKIKUTGSA-N 0 3 272.348 2.551 20 30 CFEDHN N#Cc1ccccc1N1CCCN(C[C@@H]2CCC=CO2)CC1 ZINC000193736761 382724004 /nfs/dbraw/zinc/72/40/04/382724004.db2.gz XEBAACVJKCFNJD-KRWDZBQOSA-N 0 3 297.402 2.763 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000194007428 382732429 /nfs/dbraw/zinc/73/24/29/382732429.db2.gz ZAEFPLHCRCJCOL-PWSUYJOCSA-N 0 3 277.393 2.727 20 30 CFEDHN C[C@H](O)CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000336847350 382734388 /nfs/dbraw/zinc/73/43/88/382734388.db2.gz DPUZFHRPHPVMBM-AWEZNQCLSA-N 0 3 288.391 2.562 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000337123746 382763583 /nfs/dbraw/zinc/76/35/83/382763583.db2.gz CDSSPJCBIWCABQ-IRXDYDNUSA-N 0 3 284.403 2.919 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccoc1 ZINC000337124275 382763623 /nfs/dbraw/zinc/76/36/23/382763623.db2.gz DBHCXMMNRFFOOF-UHFFFAOYSA-N 0 3 262.353 2.812 20 30 CFEDHN C=CCN1CC[C@H](N(C2CC2)C2CCC(C)CC2)C1=O ZINC000337126065 382763971 /nfs/dbraw/zinc/76/39/71/382763971.db2.gz FPORGSKVOAKELX-XUJLQICISA-N 0 3 276.424 2.816 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)CCC(F)(F)F ZINC000337130340 382765100 /nfs/dbraw/zinc/76/51/00/382765100.db2.gz IZVGMWCSYJZXEX-UHFFFAOYSA-N 0 3 278.318 2.971 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2CCc2ccccc2)C1=O ZINC000337136233 382766155 /nfs/dbraw/zinc/76/61/55/382766155.db2.gz NALLVBKZEGSGDW-QZTJIDSGSA-N 0 3 298.430 2.871 20 30 CFEDHN CCN(CCCC1(C#N)CCOCC1)C[C@@H](C)C#N ZINC000337148084 382768076 /nfs/dbraw/zinc/76/80/76/382768076.db2.gz ZTMCBWTZJBOWJX-AWEZNQCLSA-N 0 3 263.385 2.569 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H](Cc3ccccc3)C2)C1=O ZINC000337188045 382773172 /nfs/dbraw/zinc/77/31/72/382773172.db2.gz PZIZIOWDMQUAFW-ZWKOTPCHSA-N 0 3 298.430 2.728 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(C)(c3ccccc3)CC2)C1=O ZINC000337189413 382773509 /nfs/dbraw/zinc/77/35/09/382773509.db2.gz RMUGHBJFEVRSFK-KRWDZBQOSA-N 0 3 298.430 2.827 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCC2CCCC2)C1=O ZINC000337231768 382781718 /nfs/dbraw/zinc/78/17/18/382781718.db2.gz UWBZNJWWHHXHCV-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)C1=O ZINC000337254154 382786873 /nfs/dbraw/zinc/78/68/73/382786873.db2.gz SIECSAWHMHEASI-SZMVWBNQSA-N 0 3 298.430 2.960 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2COc3ccccc3C2)c(F)c1 ZINC000336887263 382737730 /nfs/dbraw/zinc/73/77/30/382737730.db2.gz CRPDFNXYJFUQBY-HNNXBMFYSA-N 0 3 282.318 2.791 20 30 CFEDHN C=CCCCN[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000280060786 194687033 /nfs/dbraw/zinc/68/70/33/194687033.db2.gz LIMUNUPSBNFHFA-AWEZNQCLSA-N 0 3 281.421 2.713 20 30 CFEDHN C=CCCC[C@@H](C)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337391439 382814693 /nfs/dbraw/zinc/81/46/93/382814693.db2.gz HMQIXZOTDYIIDW-ZIAGYGMSSA-N 0 3 273.442 2.630 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)C1CC1)C(C)C ZINC000337482179 382828835 /nfs/dbraw/zinc/82/88/35/382828835.db2.gz ZPMXYBRDMNZLSN-GDBMZVCRSA-N 0 3 293.455 2.783 20 30 CFEDHN COCC1(CCNCc2ccc(C#N)cc2F)CC1 ZINC000576703219 382832944 /nfs/dbraw/zinc/83/29/44/382832944.db2.gz NWCMORANSRIYAR-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCc1cc(C#N)cs1 ZINC000577380413 382857272 /nfs/dbraw/zinc/85/72/72/382857272.db2.gz ZFHRWRQXURJTCN-MFKMUULPSA-N 0 3 252.383 2.506 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCC2)cc1 ZINC000337799309 382866514 /nfs/dbraw/zinc/86/65/14/382866514.db2.gz HHNZHYXCOQRBDU-MRXNPFEDSA-N 0 3 258.365 2.589 20 30 CFEDHN CCN1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000233475307 382871041 /nfs/dbraw/zinc/87/10/41/382871041.db2.gz UZVXULFSGSTYIM-UHFFFAOYSA-N 0 3 270.789 2.564 20 30 CFEDHN C=CCCCCN1CCN(c2ccc(F)cn2)CC1 ZINC000577817032 382871092 /nfs/dbraw/zinc/87/10/92/382871092.db2.gz ZHEMXWZWQKTFCL-UHFFFAOYSA-N 0 3 263.360 2.699 20 30 CFEDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1 ZINC000235463692 382882578 /nfs/dbraw/zinc/88/25/78/382882578.db2.gz QWOVHENTPJHTDL-GFCCVEGCSA-N 0 3 289.379 2.561 20 30 CFEDHN COc1ccccc1SC[C@@H](C)CNC(=O)C(C)C#N ZINC000347119431 532960490 /nfs/dbraw/zinc/96/04/90/532960490.db2.gz XALCXWUMFPVKOC-RYUDHWBXSA-N 0 3 292.404 2.699 20 30 CFEDHN CC[C@H](C)[C@@H]1CN(CCCC#N)CCN1CCCC#N ZINC000337981578 382887160 /nfs/dbraw/zinc/88/71/60/382887160.db2.gz SRCAUDKIFOUFOH-HOTGVXAUSA-N 0 3 276.428 2.626 20 30 CFEDHN CC[C@H](C(=O)N1CCc2c1cccc2C#N)N(CC)CC ZINC000421653083 382887311 /nfs/dbraw/zinc/88/73/11/382887311.db2.gz WRPIIXYHABPFJT-OAHLLOKOSA-N 0 3 285.391 2.568 20 30 CFEDHN C=CCOCCCN1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440940541 382890357 /nfs/dbraw/zinc/89/03/57/382890357.db2.gz HCCHPFGEFSHAHW-ZIAGYGMSSA-N 0 3 253.386 2.611 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000578642465 382940117 /nfs/dbraw/zinc/94/01/17/382940117.db2.gz IYPFHUNLMRGAAR-YESZJQIVSA-N 0 3 293.370 2.545 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCCNC1=O ZINC000578710091 382945443 /nfs/dbraw/zinc/94/54/43/382945443.db2.gz FVBKBRDUGWNZQU-DLBZAZTESA-N 0 3 297.402 2.584 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(CC(C)C)CC2)CC1 ZINC000442731372 382950811 /nfs/dbraw/zinc/95/08/11/382950811.db2.gz ITRQVSSBWCHFOS-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN CN(CCC#N)c1ccc(CNCCOCC2CC2)cc1 ZINC000237197523 382952863 /nfs/dbraw/zinc/95/28/63/382952863.db2.gz JODWEUQEWUCAMO-UHFFFAOYSA-N 0 3 287.407 2.553 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H](CCCO)c2ccccc2)C1 ZINC000442765900 382953278 /nfs/dbraw/zinc/95/32/78/382953278.db2.gz KBMKOELQSIWNSC-FVQBIDKESA-N 0 3 258.365 2.782 20 30 CFEDHN CC(C)[C@@H]1C[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456315513 382956595 /nfs/dbraw/zinc/95/65/95/382956595.db2.gz NCWVTRHIFVJQHC-ULQDDVLXSA-N 0 3 295.386 2.649 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)s1)C1(C(=O)OC)CCC1 ZINC000421878136 382957799 /nfs/dbraw/zinc/95/77/99/382957799.db2.gz LQVSCCKKAMCQPE-ZDUSSCGKSA-N 0 3 292.404 2.831 20 30 CFEDHN CO[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000442855832 382960965 /nfs/dbraw/zinc/96/09/65/382960965.db2.gz KSGBZFZWVDRIIO-NILFDRSVSA-N 0 3 262.328 2.795 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000338121582 382925743 /nfs/dbraw/zinc/92/57/43/382925743.db2.gz XDQBJOTWTHNOLN-ZIAGYGMSSA-N 0 3 299.418 2.859 20 30 CFEDHN Cc1nccn1-c1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000444450899 382973795 /nfs/dbraw/zinc/97/37/95/382973795.db2.gz QWWSEJQTFBNQEV-VXGBXAGGSA-N 0 3 282.347 2.518 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)Cc2cccc(C#N)c2F)C1 ZINC000495228188 382973975 /nfs/dbraw/zinc/97/39/75/382973975.db2.gz DAFHUWHAPHGEHT-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC(O)(C(F)F)CC1 ZINC000444671843 382975605 /nfs/dbraw/zinc/97/56/05/382975605.db2.gz IYHILVIKJZEJPG-UHFFFAOYSA-N 0 3 274.355 2.798 20 30 CFEDHN C=CC[C@H]1N(C(=O)CN(C)C(C)C)CCCC1(C)C ZINC000444637226 382976253 /nfs/dbraw/zinc/97/62/53/382976253.db2.gz PEMFOXNNTPGZKO-CQSZACIVSA-N 0 3 266.429 2.920 20 30 CFEDHN CC#CCCCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000545222373 382976811 /nfs/dbraw/zinc/97/68/11/382976811.db2.gz YJYZNPVELYDKQN-UHFFFAOYSA-N 0 3 288.391 2.889 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000444754550 382978906 /nfs/dbraw/zinc/97/89/06/382978906.db2.gz TWXOLPRLPQEAPA-BFYDXBDKSA-N 0 3 293.455 2.797 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NCc2ccco2)CCCC1(C)C ZINC000444776407 382981016 /nfs/dbraw/zinc/98/10/16/382981016.db2.gz BMUWRHOYQJKZHI-OAHLLOKOSA-N 0 3 290.407 2.963 20 30 CFEDHN C=CC[C@H]1N(C[C@@H](C)CS(C)(=O)=O)CCCC1(C)C ZINC000444793178 382982448 /nfs/dbraw/zinc/98/24/48/382982448.db2.gz RHQVOTPVJVEBKT-ZIAGYGMSSA-N 0 3 287.469 2.734 20 30 CFEDHN C=CC[C@@H]1N(CC2CCS(=O)(=O)CC2)CCCC1(C)C ZINC000444794376 382982611 /nfs/dbraw/zinc/98/26/11/382982611.db2.gz VMRXDTDEMZNULY-HNNXBMFYSA-N 0 3 299.480 2.878 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000245629694 383017041 /nfs/dbraw/zinc/01/70/41/383017041.db2.gz PRXPUCLZIMUDKD-DOTOQJQBSA-N 0 3 286.419 2.947 20 30 CFEDHN CCC1(CC)CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446737102 382990555 /nfs/dbraw/zinc/99/05/55/382990555.db2.gz YOGIOKOBMDXIEI-GDBMZVCRSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC(CC)(CC)C1 ZINC000446739772 382990914 /nfs/dbraw/zinc/99/09/14/382990914.db2.gz XPLMKOYUYCOALA-UHFFFAOYSA-N 0 3 264.413 2.699 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000446678849 382991493 /nfs/dbraw/zinc/99/14/93/382991493.db2.gz VWIFLKHINULNJA-QWHCGFSZSA-N 0 3 271.364 2.624 20 30 CFEDHN C=CCOCCCN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000495579701 382998307 /nfs/dbraw/zinc/99/83/07/382998307.db2.gz SWOAEMBFEGJXSL-UHFFFAOYSA-N 0 3 298.427 2.522 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000447717254 383000858 /nfs/dbraw/zinc/00/08/58/383000858.db2.gz DLAZTLRSAMCBHZ-LHLIQPBNSA-N 0 3 274.217 2.547 20 30 CFEDHN COC(=O)Nc1cccc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000495690578 383014533 /nfs/dbraw/zinc/01/45/33/383014533.db2.gz MVVDLOVZJFEDKV-WCQYABFASA-N 0 3 273.336 2.647 20 30 CFEDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000541949215 382967800 /nfs/dbraw/zinc/96/78/00/382967800.db2.gz RERNAFDWSFSDKI-GOEBONIOSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000541953554 382967831 /nfs/dbraw/zinc/96/78/31/382967831.db2.gz MXACXXUXQDKXSW-WBVHZDCISA-N 0 3 278.440 2.923 20 30 CFEDHN CC1(C)CC[C@H](CNCc2ccc(C#N)cc2F)O1 ZINC000495172869 382967866 /nfs/dbraw/zinc/96/78/66/382967866.db2.gz IXKPBBQXKBUBNA-CYBMUJFWSA-N 0 3 262.328 2.745 20 30 CFEDHN COC[C@@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC000542524357 382968567 /nfs/dbraw/zinc/96/85/67/382968567.db2.gz XLMLZRRZWIZUGQ-OAHLLOKOSA-N 0 3 265.784 2.952 20 30 CFEDHN CC(C)(C)c1n[nH]cc1CN1CCC(CC#N)CC1 ZINC000542853903 382969470 /nfs/dbraw/zinc/96/94/70/382969470.db2.gz LRZPUDWKDJOKJK-UHFFFAOYSA-N 0 3 260.385 2.833 20 30 CFEDHN N#CCCCCNCc1csc(-c2ccccn2)n1 ZINC000237818388 382970880 /nfs/dbraw/zinc/97/08/80/382970880.db2.gz QWMMCLPGWSVKQP-UHFFFAOYSA-N 0 3 272.377 2.989 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@]2(C1)CCCN(C)C2 ZINC000338746820 383037417 /nfs/dbraw/zinc/03/74/17/383037417.db2.gz RYZBIKVTPYHSJY-GOSISDBHSA-N 0 3 297.402 2.683 20 30 CFEDHN C=CCCCN1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495935626 383044769 /nfs/dbraw/zinc/04/47/69/383044769.db2.gz ZQRXUOJVFVZMRG-AWEZNQCLSA-N 0 3 298.427 2.568 20 30 CFEDHN C[C@@H]1CN(CCCCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000495960651 383048465 /nfs/dbraw/zinc/04/84/65/383048465.db2.gz NKHQMQPCXMYSEI-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CCc2ccccc2N1 ZINC000579824390 383056449 /nfs/dbraw/zinc/05/64/49/383056449.db2.gz FZPSGDWURIWVKW-HOCLYGCPSA-N 0 3 282.391 2.837 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CNC/C=C/CC ZINC000579824849 383056608 /nfs/dbraw/zinc/05/66/08/383056608.db2.gz WWPGGVXBEFMTSK-CDVVCGDMSA-N 0 3 275.392 2.711 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000246283326 383070419 /nfs/dbraw/zinc/07/04/19/383070419.db2.gz CKZBQDNRKMUTNO-HIFRSBDPSA-N 0 3 285.391 2.597 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](CC)C1 ZINC000246321533 383072489 /nfs/dbraw/zinc/07/24/89/383072489.db2.gz XAMHZBQTFZGIMV-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000246353172 383073405 /nfs/dbraw/zinc/07/34/05/383073405.db2.gz MKPGXIJDEGWWOA-TVZGQMOCSA-N 0 3 296.461 2.789 20 30 CFEDHN C=CCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000338547447 383021395 /nfs/dbraw/zinc/02/13/95/383021395.db2.gz OHKWSZKUKBYNMM-UHFFFAOYSA-N 0 3 253.349 2.807 20 30 CFEDHN Cc1ccc(C[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000554819730 383146060 /nfs/dbraw/zinc/14/60/60/383146060.db2.gz DRSOTGLHIHSOED-HOCLYGCPSA-N 0 3 270.376 2.936 20 30 CFEDHN Cc1cc(NC(=O)c2ccc(C#N)n2C)ccc1CN(C)C ZINC000458262081 383146157 /nfs/dbraw/zinc/14/61/57/383146157.db2.gz KCXZOFFUDNQPJO-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN C[C@H](NC(=O)CN(C)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000608886384 383133864 /nfs/dbraw/zinc/13/38/64/383133864.db2.gz FOMAPFRBSMHSBC-ZDUSSCGKSA-N 0 3 287.407 2.713 20 30 CFEDHN C=CCN1CC[C@H](NC(C)(C)c2ccc(CC)cc2)C1=O ZINC000499606605 383135320 /nfs/dbraw/zinc/13/53/20/383135320.db2.gz ORAWLIGOMLVQOS-INIZCTEOSA-N 0 3 286.419 2.861 20 30 CFEDHN C=CCN1CC[C@H](N[C@]2(c3cccc(C)c3)C[C@@H]2CC)C1=O ZINC000502545437 383138343 /nfs/dbraw/zinc/13/83/43/383138343.db2.gz XQHPFQKZXLLLHU-VDZJLULYSA-N 0 3 298.430 2.997 20 30 CFEDHN Cn1cc([C@H]2CN(CCC(C)(C)C#N)CC2(C)C)cn1 ZINC000581019931 383083255 /nfs/dbraw/zinc/08/32/55/383083255.db2.gz DEWKOWBIFJAQJW-CQSZACIVSA-N 0 3 274.412 2.785 20 30 CFEDHN C=CCCCCCNC(=O)C[C@H](N)c1ccccc1 ZINC000582132409 383085278 /nfs/dbraw/zinc/08/52/78/383085278.db2.gz LQIIPEQEIUFUBJ-HNNXBMFYSA-N 0 3 260.381 2.939 20 30 CFEDHN C=CCCCCN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000583303599 383089223 /nfs/dbraw/zinc/08/92/23/383089223.db2.gz JVWFUTXELBXXOA-BFHYXJOUSA-N 0 3 251.370 2.616 20 30 CFEDHN C[C@H](C#N)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000496361943 383093195 /nfs/dbraw/zinc/09/31/95/383093195.db2.gz NKZQEVQCHPGLDR-RDBSUJKOSA-N 0 3 295.427 2.771 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000246709259 383096221 /nfs/dbraw/zinc/09/62/21/383096221.db2.gz LCRVEZFOZNRSIO-RBSFLKMASA-N 0 3 279.428 2.505 20 30 CFEDHN CC1(C)Cc2cc(C(=O)C(C#N)c3ccncn3)ccc2O1 ZINC000584528832 383110731 /nfs/dbraw/zinc/11/07/31/383110731.db2.gz ACXNCDIICXKFKK-CYBMUJFWSA-N 0 3 293.326 2.680 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000339162566 383171948 /nfs/dbraw/zinc/17/19/48/383171948.db2.gz ACEMVQZHCWFGLP-KBAYOESNSA-N 0 3 284.403 2.705 20 30 CFEDHN C=CCC(C)(C)C(=O)N(CC)C[C@H]1CCCN1CC ZINC000565521619 383179248 /nfs/dbraw/zinc/17/92/48/383179248.db2.gz JKLQYCFFPHXZDK-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN N#CCCC1CCN(Cc2cccc3nccn32)CC1 ZINC000565599493 383180441 /nfs/dbraw/zinc/18/04/41/383180441.db2.gz MFXBQRDPMYJEEZ-UHFFFAOYSA-N 0 3 268.364 2.850 20 30 CFEDHN N#CCCN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000565770543 383180983 /nfs/dbraw/zinc/18/09/83/383180983.db2.gz YDKHDACBQMGFGN-AWEZNQCLSA-N 0 3 297.324 2.783 20 30 CFEDHN C=CCCCCN1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000566050333 383182471 /nfs/dbraw/zinc/18/24/71/383182471.db2.gz ZLHGDGFRXJPXID-KBXIAJHMSA-N 0 3 281.396 2.526 20 30 CFEDHN Cn1cc([C@H]2CN(Cc3cccc(C#N)c3)CC2(C)C)cn1 ZINC000517487478 383182644 /nfs/dbraw/zinc/18/26/44/383182644.db2.gz QCWPDDDNMAPHOC-QGZVFWFLSA-N 0 3 294.402 2.917 20 30 CFEDHN CCOC(=O)C(C)(C)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339188760 383182650 /nfs/dbraw/zinc/18/26/50/383182650.db2.gz LGWLQGKKOPWKJJ-ZFWWWQNUSA-N 0 3 292.423 2.980 20 30 CFEDHN CN(CCOCCC#N)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000339207068 383184284 /nfs/dbraw/zinc/18/42/84/383184284.db2.gz BEUQYYHGQXKPOI-NWDGAFQWSA-N 0 3 278.318 2.970 20 30 CFEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1n1ccnc1 ZINC000247559112 383184338 /nfs/dbraw/zinc/18/43/38/383184338.db2.gz KTVRCBOSQCGQOK-RHSMWYFYSA-N 0 3 280.375 2.838 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)CC2(CCC2)O1 ZINC000566183983 383184577 /nfs/dbraw/zinc/18/45/77/383184577.db2.gz HGHSTSFHUCHXES-CYBMUJFWSA-N 0 3 250.386 2.960 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc2ccccc2cc1OC ZINC000449239365 383185980 /nfs/dbraw/zinc/18/59/80/383185980.db2.gz VMNCJYDLCUCUFS-INIZCTEOSA-N 0 3 271.360 2.875 20 30 CFEDHN C=C(C)[C@H](CC(=O)NCC(C)(C)N1CCCCC1)OCC ZINC000339433276 383196102 /nfs/dbraw/zinc/19/61/02/383196102.db2.gz MAAYOQZVVFKFDQ-HNNXBMFYSA-N 0 3 296.455 2.738 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(Cl)c1)[C@H]1CCCO1 ZINC000619755289 383147422 /nfs/dbraw/zinc/14/74/22/383147422.db2.gz VZPDFRROUFSORQ-QMTHXVAHSA-N 0 3 264.756 2.869 20 30 CFEDHN C=C(C)CCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000509005826 383147766 /nfs/dbraw/zinc/14/77/66/383147766.db2.gz FQUYUOYRTNBMAS-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000509611532 383148623 /nfs/dbraw/zinc/14/86/23/383148623.db2.gz QZCIPGRCAFMBRI-ZIAGYGMSSA-N 0 3 293.411 2.926 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1C(C)C ZINC000247201390 383152031 /nfs/dbraw/zinc/15/20/31/383152031.db2.gz TWSGSIRSSQILFV-GJZGRUSLSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1cccc(CC(C)C)c1 ZINC000556894480 383153203 /nfs/dbraw/zinc/15/32/03/383153203.db2.gz AZFSMCUESMOXJD-CQSZACIVSA-N 0 3 274.408 2.838 20 30 CFEDHN C=CC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000557032594 383153353 /nfs/dbraw/zinc/15/33/53/383153353.db2.gz QXCOGRQKEOTTSC-UHFFFAOYSA-N 0 3 285.391 2.762 20 30 CFEDHN Cc1noc(C[C@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc2)n1 ZINC000514708336 383155070 /nfs/dbraw/zinc/15/50/70/383155070.db2.gz UMJZUVWKRHWWMO-IMJJTQAJSA-N 0 3 296.374 2.944 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H](C)N2CCCC2)CCCC1 ZINC000562519619 383158728 /nfs/dbraw/zinc/15/87/28/383158728.db2.gz AYNOEUFTPYGNCD-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN Cc1ccc2cccc(NC(=O)[C@@H](N)CCCC#N)c2n1 ZINC000515486422 383160084 /nfs/dbraw/zinc/16/00/84/383160084.db2.gz LKLYSFGZCLCCJO-ZDUSSCGKSA-N 0 3 282.347 2.503 20 30 CFEDHN COC(=O)c1cccc(CN2CCC(CCC#N)CC2)c1 ZINC000515838203 383161684 /nfs/dbraw/zinc/16/16/84/383161684.db2.gz QWDNRRBSHIOUSD-UHFFFAOYSA-N 0 3 286.375 2.989 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCCN1Cc1ccccc1 ZINC000563759895 383168027 /nfs/dbraw/zinc/16/80/27/383168027.db2.gz ZQEHIIVTCYUUPU-ROUUACIJSA-N 0 3 296.418 2.684 20 30 CFEDHN C[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)CN1Cc1ccccc1 ZINC000520567583 383262512 /nfs/dbraw/zinc/26/25/12/383262512.db2.gz NQYBXPREHGSMRC-KBAYOESNSA-N 0 3 296.418 2.683 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](CC)CCCC)CC1 ZINC000520686566 383269583 /nfs/dbraw/zinc/26/95/83/383269583.db2.gz GBFOSMASVUBKOI-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCCN1CC ZINC000248602653 383269604 /nfs/dbraw/zinc/26/96/04/383269604.db2.gz AXHDLLKVDDRVGZ-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN COC(=O)c1ccc(CNC2CCC(C)(C#N)CC2)o1 ZINC000449325737 383218018 /nfs/dbraw/zinc/21/80/18/383218018.db2.gz PDWWQRZJLSZGRV-UHFFFAOYSA-N 0 3 276.336 2.628 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)C[C@H]1F)C(C)C ZINC000424659682 383223806 /nfs/dbraw/zinc/22/38/06/383223806.db2.gz SIMNIPPGTGZATK-FMKPAKJESA-N 0 3 282.403 2.549 20 30 CFEDHN N#Cc1cccc(CNCc2ccc3[nH]cnc3c2)c1 ZINC000520951026 383279882 /nfs/dbraw/zinc/27/98/82/383279882.db2.gz LZEOWKFARVZTMP-UHFFFAOYSA-N 0 3 262.316 2.724 20 30 CFEDHN N#Cc1cccc(CNCc2ccc3nc[nH]c3c2)c1 ZINC000520951026 383279889 /nfs/dbraw/zinc/27/98/89/383279889.db2.gz LZEOWKFARVZTMP-UHFFFAOYSA-N 0 3 262.316 2.724 20 30 CFEDHN CCO[C@H]1C[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000567065418 383239159 /nfs/dbraw/zinc/23/91/59/383239159.db2.gz SSBCMZHIFGLOGX-HOTGVXAUSA-N 0 3 274.364 2.636 20 30 CFEDHN CCO[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1C ZINC000449490710 383328114 /nfs/dbraw/zinc/32/81/14/383328114.db2.gz CLTAKDJNJZDNLH-CZUORRHYSA-N 0 3 258.365 2.805 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000449490389 383329097 /nfs/dbraw/zinc/32/90/97/383329097.db2.gz CCCODKFTJFPMMK-BBRMVZONSA-N 0 3 288.391 2.814 20 30 CFEDHN Cc1ccc([C@H](CNc2cc(C)ncc2C#N)N(C)C)cc1 ZINC000425217248 383341445 /nfs/dbraw/zinc/34/14/45/383341445.db2.gz UHVJJGCMFTZQBM-SFHVURJKSA-N 0 3 294.402 2.707 20 30 CFEDHN CCN(CC)[C@@H](CNc1cc(C)ncc1C#N)c1ccco1 ZINC000425213267 383341550 /nfs/dbraw/zinc/34/15/50/383341550.db2.gz GPXMFEQNUXPFGU-INIZCTEOSA-N 0 3 298.390 2.772 20 30 CFEDHN CC(C)[C@@H](NCc1ccccc1C#N)[C@@H](CO)C(C)C ZINC000449508694 383344651 /nfs/dbraw/zinc/34/46/51/383344651.db2.gz HSMOIIBKZBAVSJ-DLBZAZTESA-N 0 3 274.408 2.937 20 30 CFEDHN CC#CCN(C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000339760972 383307302 /nfs/dbraw/zinc/30/73/02/383307302.db2.gz YNMASEAOUIQDSB-CYBMUJFWSA-N 0 3 285.309 2.564 20 30 CFEDHN CC(C)CC[C@@H](O)CNCC#Cc1cccc(F)c1 ZINC000567727422 383308060 /nfs/dbraw/zinc/30/80/60/383308060.db2.gz WWYDXPQFEQWHAZ-MRXNPFEDSA-N 0 3 263.356 2.564 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000567727158 383308159 /nfs/dbraw/zinc/30/81/59/383308159.db2.gz AVIPJOCSGUJUGU-NVXWUHKLSA-N 0 3 284.407 2.540 20 30 CFEDHN C=CCCCCN1CCC[C@@H]1C(=O)N(CC)CC ZINC000521784360 383309015 /nfs/dbraw/zinc/30/90/15/383309015.db2.gz SHBCXGYXQOCNDL-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN CO[C@](C)(CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000449483371 383323707 /nfs/dbraw/zinc/32/37/07/383323707.db2.gz ITQKXIRVSOUFRI-VNQPRFMTSA-N 0 3 258.365 2.830 20 30 CFEDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC2(C#N)CCC2)C1 ZINC000450292870 383388896 /nfs/dbraw/zinc/38/88/96/383388896.db2.gz WFAQXJZDFGMHNI-CABCVRRESA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000427695918 383415419 /nfs/dbraw/zinc/41/54/19/383415419.db2.gz MUOBTTLJDOATBD-BFYDXBDKSA-N 0 3 273.376 2.909 20 30 CFEDHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000467381818 383352675 /nfs/dbraw/zinc/35/26/75/383352675.db2.gz NKUDILFMFMSIPP-DCAQKATOSA-N 0 3 250.317 2.771 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccccc2)nc1C ZINC000449523147 383353203 /nfs/dbraw/zinc/35/32/03/383353203.db2.gz WSXDBHISLCCKQP-SJORKVTESA-N 0 3 283.375 2.614 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000449520797 383353321 /nfs/dbraw/zinc/35/33/21/383353321.db2.gz QHDQVPIFQICFPP-NEPJUHHUSA-N 0 3 257.255 2.537 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cncc(Br)c1 ZINC000449548536 383354415 /nfs/dbraw/zinc/35/44/15/383354415.db2.gz OILOBHBPVBBADF-OLZOCXBDSA-N 0 3 297.196 2.667 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(F)c1F ZINC000449548537 383354630 /nfs/dbraw/zinc/35/46/30/383354630.db2.gz OJKMEXPRSAYHIG-OLZOCXBDSA-N 0 3 253.292 2.788 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC)cc1 ZINC000449549371 383355843 /nfs/dbraw/zinc/35/58/43/383355843.db2.gz XGMCRXBRQLUDFZ-CVEARBPZSA-N 0 3 261.365 2.909 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000568125979 383360632 /nfs/dbraw/zinc/36/06/32/383360632.db2.gz YPCLQYOSFDPWMB-OQUILHJVSA-N 0 3 297.402 2.688 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2c(F)cccc2-n2cccn2)C1 ZINC000449690752 383361268 /nfs/dbraw/zinc/36/12/68/383361268.db2.gz RKFIIBBABHAHNV-STQMWFEESA-N 0 3 284.338 2.793 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC)cc1Cl ZINC000449698814 383361858 /nfs/dbraw/zinc/36/18/58/383361858.db2.gz OVEPGGMFXUFCCH-GFCCVEGCSA-N 0 3 269.772 2.765 20 30 CFEDHN C=CCC[C@H](CO)NCc1c(C)nn(C(C)(C)C)c1C ZINC000449698516 383361942 /nfs/dbraw/zinc/36/19/42/383361942.db2.gz NWDQRGLVIKKKTB-CQSZACIVSA-N 0 3 279.428 2.672 20 30 CFEDHN N#CCC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000568167919 383365886 /nfs/dbraw/zinc/36/58/86/383365886.db2.gz SDFUFGQCMYKFOP-SFHVURJKSA-N 0 3 299.418 2.517 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cscc1C#N ZINC000340330424 383414160 /nfs/dbraw/zinc/41/41/60/383414160.db2.gz ZROQPABILIXAGW-CYBMUJFWSA-N 0 3 291.420 2.614 20 30 CFEDHN CN(C)c1ccccc1CNCc1cccc(C#N)c1 ZINC000340196769 383377823 /nfs/dbraw/zinc/37/78/23/383377823.db2.gz ILVYIVDLWKYRBN-UHFFFAOYSA-N 0 3 265.360 2.914 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(C(C)(C)COC)CC1 ZINC000425506315 383382157 /nfs/dbraw/zinc/38/21/57/383382157.db2.gz OXYAXJOARPCFFS-OAHLLOKOSA-N 0 3 268.445 2.774 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1[C@@H](C)C[C@@H]1C)C(C)C ZINC000526825427 383436631 /nfs/dbraw/zinc/43/66/31/383436631.db2.gz KVEXMOJVGGINAV-HRCADAONSA-N 0 3 293.455 2.877 20 30 CFEDHN C=CCN(CC(=O)NCCCC)CC1CCCCC1 ZINC000484632116 383456983 /nfs/dbraw/zinc/45/69/83/383456983.db2.gz XJBRZZCCDQGTGB-UHFFFAOYSA-N 0 3 266.429 2.971 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485878672 383468451 /nfs/dbraw/zinc/46/84/51/383468451.db2.gz BZSWHQXFJDUDSD-KZNAEPCWSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NCC(C)(C)N1CCCCC1 ZINC000527357358 383469670 /nfs/dbraw/zinc/46/96/70/383469670.db2.gz OYTBOAFVRHIYOI-QGZVFWFLSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@@H]1CCCC[C@H]1O ZINC000428448981 383474971 /nfs/dbraw/zinc/47/49/71/383474971.db2.gz SDSPTIUSTDDLKG-HZPDHXFCSA-N 0 3 275.392 2.987 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000428043001 383419826 /nfs/dbraw/zinc/41/98/26/383419826.db2.gz OCQWIBUHECGYJS-INIZCTEOSA-N 0 3 272.392 2.929 20 30 CFEDHN C[C@H]1CC[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429569578 383547830 /nfs/dbraw/zinc/54/78/30/383547830.db2.gz TZMWQZFKWSMXJR-WFASDCNBSA-N 0 3 271.364 2.617 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@H]1NCC1(C#N)CCC1 ZINC000450756997 383485883 /nfs/dbraw/zinc/48/58/83/383485883.db2.gz LNQQNPDXADASJH-ZIAGYGMSSA-N 0 3 250.386 2.864 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@H]1CCC[C@@H]1C ZINC000488020062 383487864 /nfs/dbraw/zinc/48/78/64/383487864.db2.gz BESRHQDSTUYZTL-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)Cc1ccsc1 ZINC000428862621 383500982 /nfs/dbraw/zinc/50/09/82/383500982.db2.gz NXYLODPTMFXHEJ-QWRGUYRKSA-N 0 3 250.367 2.687 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488160607 383501856 /nfs/dbraw/zinc/50/18/56/383501856.db2.gz IPTCGNHGVZFUAN-GJZGRUSLSA-N 0 3 271.408 2.781 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429275622 383507464 /nfs/dbraw/zinc/50/74/64/383507464.db2.gz VDNDGIAGFXWGPC-RHSMWYFYSA-N 0 3 292.398 2.663 20 30 CFEDHN Cc1cc(CN(C)C[C@H]2CCCC[C@@H]2O)ccc1C#N ZINC000488329810 383522207 /nfs/dbraw/zinc/52/22/07/383522207.db2.gz PFHPEHOQWVQUNE-SJORKVTESA-N 0 3 272.392 2.850 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000341123792 383574558 /nfs/dbraw/zinc/57/45/58/383574558.db2.gz ITKSEDBXMQVPJI-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN N#CCC1(CNCc2ccc(-n3ccnc3)cc2)CC1 ZINC000430022108 383583980 /nfs/dbraw/zinc/58/39/80/383583980.db2.gz NWHZTPZWNFTGBS-UHFFFAOYSA-N 0 3 266.348 2.656 20 30 CFEDHN Cc1ccccc1-n1nccc1CNCC1(CC#N)CC1 ZINC000430038122 383584984 /nfs/dbraw/zinc/58/49/84/383584984.db2.gz VBRWYHMOMXPHMW-UHFFFAOYSA-N 0 3 280.375 2.964 20 30 CFEDHN Cc1cc(CN2CCN(C)[C@H](C(C)C)C2)ccc1C#N ZINC000488988650 383589388 /nfs/dbraw/zinc/58/93/88/383589388.db2.gz UFCSUYMTOIOPHY-KRWDZBQOSA-N 0 3 271.408 2.639 20 30 CFEDHN C=C(CC)CN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000430283773 383592701 /nfs/dbraw/zinc/59/27/01/383592701.db2.gz KSZBITXUOBYRFJ-KKUMJFAQSA-N 0 3 253.386 2.611 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc(-n2cncn2)c(F)c1 ZINC000570459512 383605736 /nfs/dbraw/zinc/60/57/36/383605736.db2.gz PICGXPCCPJNQJW-CQSZACIVSA-N 0 3 286.354 2.947 20 30 CFEDHN Cn1cc(CNC[C@H]2CSc3ccccc3O2)cc1C#N ZINC000569971309 383556388 /nfs/dbraw/zinc/55/63/88/383556388.db2.gz QVMWTJHHPMQQOW-AWEZNQCLSA-N 0 3 299.399 2.540 20 30 CFEDHN CC(C)CCO[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429700450 383560534 /nfs/dbraw/zinc/56/05/34/383560534.db2.gz QZIMEUZQLQETIJ-RBSFLKMASA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc(NC(C)=O)c1 ZINC000429714472 383562650 /nfs/dbraw/zinc/56/26/50/383562650.db2.gz KRQSDNQBCQNEJS-UHFFFAOYSA-N 0 3 289.423 2.585 20 30 CFEDHN Cc1nc(N(C)[C@H]2CCN(C(C)C)C2)c(Cl)cc1C#N ZINC000450950515 383564754 /nfs/dbraw/zinc/56/47/54/383564754.db2.gz CUQDZFMTQLSDFR-ZDUSSCGKSA-N 0 3 292.814 2.834 20 30 CFEDHN C[C@@H]1CC[C@H](N(CC#Cc2ccc(F)cc2)CCO)C1 ZINC000429771681 383567798 /nfs/dbraw/zinc/56/77/98/383567798.db2.gz NCILNVOSIDWXCP-PBHICJAKSA-N 0 3 275.367 2.660 20 30 CFEDHN C=C(Cl)CNCCCc1ccc2c(c1)CCO2 ZINC000280851017 195002428 /nfs/dbraw/zinc/00/24/28/195002428.db2.gz MPBJFBAKSRBYRN-UHFFFAOYSA-N 0 3 251.757 2.896 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000280899978 195019726 /nfs/dbraw/zinc/01/97/26/195019726.db2.gz DPQYUHABJFFULC-MRXNPFEDSA-N 0 3 289.423 2.902 20 30 CFEDHN CO[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000451574157 383649631 /nfs/dbraw/zinc/64/96/31/383649631.db2.gz RGOBMEANWJCCSK-HEHGZKQESA-N 0 3 258.365 2.976 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1F ZINC000451586902 383652707 /nfs/dbraw/zinc/65/27/07/383652707.db2.gz AMSNGPYGGKSZME-KGLIPLIRSA-N 0 3 290.338 2.519 20 30 CFEDHN C=C[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000489474270 383622892 /nfs/dbraw/zinc/62/28/92/383622892.db2.gz KRYRJPKUVYTJBX-HNNXBMFYSA-N 0 3 256.349 2.978 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451497601 383628386 /nfs/dbraw/zinc/62/83/86/383628386.db2.gz WGGMJMJZOVOFLI-DAXOMENPSA-N 0 3 286.350 2.745 20 30 CFEDHN CCO[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000451527944 383636637 /nfs/dbraw/zinc/63/66/37/383636637.db2.gz HRUDURBTYUREMF-YOEHRIQHSA-N 0 3 288.391 2.684 20 30 CFEDHN Cc1ccccc1C[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000528915463 383676432 /nfs/dbraw/zinc/67/64/32/383676432.db2.gz NQILPFSXKZZGBV-GOEBONIOSA-N 0 3 298.386 2.505 20 30 CFEDHN CCc1nc(CN[C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433020145 383752835 /nfs/dbraw/zinc/75/28/35/383752835.db2.gz RACZFXNBWLIECY-AWEZNQCLSA-N 0 3 283.379 2.892 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H](c3ccccc3)C2)C1=O ZINC000433044437 383753617 /nfs/dbraw/zinc/75/36/17/383753617.db2.gz MZECVQTVBMCAMZ-IRXDYDNUSA-N 0 3 284.403 2.653 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccc(CC)cc3)C2)C1=O ZINC000433083201 383753733 /nfs/dbraw/zinc/75/37/33/383753733.db2.gz OAWLYYYIQCSWME-ROUUACIJSA-N 0 3 298.430 2.825 20 30 CFEDHN C=C1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000264577914 383757467 /nfs/dbraw/zinc/75/74/67/383757467.db2.gz WYWNDFYYNCFUOG-OAHLLOKOSA-N 0 3 295.810 2.870 20 30 CFEDHN Cc1cnn(CCCCCN(C)CC(C)(C)C#N)c1 ZINC000433303432 383759419 /nfs/dbraw/zinc/75/94/19/383759419.db2.gz LAKGCQCOZMJBNV-UHFFFAOYSA-N 0 3 262.401 2.843 20 30 CFEDHN C[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375821 383761563 /nfs/dbraw/zinc/76/15/63/383761563.db2.gz LWHSQNZEAKLQFG-DZGCQCFKSA-N 0 3 256.349 2.627 20 30 CFEDHN CC#CCN(Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000640017142 383672743 /nfs/dbraw/zinc/67/27/43/383672743.db2.gz UXFIKIYDGICLNI-HNNXBMFYSA-N 0 3 275.392 2.682 20 30 CFEDHN CCn1ccnc1[C@@H](C)NCCc1cccc(C#N)c1 ZINC000453213852 383803735 /nfs/dbraw/zinc/80/37/35/383803735.db2.gz MJOZMSOWDDTYHI-CYBMUJFWSA-N 0 3 268.364 2.668 20 30 CFEDHN C[C@@H](CCO)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000453235808 383811171 /nfs/dbraw/zinc/81/11/71/383811171.db2.gz NFDYEJFXFWMUTR-NEPJUHHUSA-N 0 3 264.344 2.757 20 30 CFEDHN C=CCC[C@@H](O)CNC1(c2ccccc2OC)CC1 ZINC000646000521 383814930 /nfs/dbraw/zinc/81/49/30/383814930.db2.gz LJHNSIPKBGNDJS-CYBMUJFWSA-N 0 3 261.365 2.601 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC[C@@H](C#N)CCC#N ZINC000572834387 383823880 /nfs/dbraw/zinc/82/38/80/383823880.db2.gz HJCBTGWBWMUPGO-CVEARBPZSA-N 0 3 276.428 2.674 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264791706 383783750 /nfs/dbraw/zinc/78/37/50/383783750.db2.gz RTAOHUSXIKHFQB-QGZVFWFLSA-N 0 3 299.418 2.950 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC=C(C)C1 ZINC000436266121 383794866 /nfs/dbraw/zinc/79/48/66/383794866.db2.gz UFAKLHPIKQOAAZ-QGZVFWFLSA-N 0 3 287.403 2.807 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCN3CCCC[C@H]23)c(Cl)c1 ZINC000265132325 383840911 /nfs/dbraw/zinc/84/09/11/383840911.db2.gz NKUKGUCSDSXPEK-QWHCGFSZSA-N 0 3 276.771 2.645 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453345318 383845329 /nfs/dbraw/zinc/84/53/29/383845329.db2.gz HXZYVWPDWQJBIZ-FZMZJTMJSA-N 0 3 262.328 2.675 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000265427868 383913446 /nfs/dbraw/zinc/91/34/46/383913446.db2.gz MCYVRQJIEZNJLC-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN CC(C)[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000265286759 383885186 /nfs/dbraw/zinc/88/51/86/383885186.db2.gz CDKMXNWXACJXMO-QGZVFWFLSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCCCCn1cc(COc2ccccc2CN)nn1 ZINC000640938921 383957782 /nfs/dbraw/zinc/95/77/82/383957782.db2.gz FZBNGMFWDPKJKL-UHFFFAOYSA-N 0 3 286.379 2.672 20 30 CFEDHN C=CCCCCNC(=O)Nc1cccc2c1CCNC2 ZINC000573904314 384009389 /nfs/dbraw/zinc/00/93/89/384009389.db2.gz RWJYOZKCJJSANV-UHFFFAOYSA-N 0 3 273.380 2.810 20 30 CFEDHN CC(C)(C#N)CCN1CCCN(c2nccs2)CC1 ZINC000266003313 384049494 /nfs/dbraw/zinc/04/94/94/384049494.db2.gz LNJJZTSQXXESPG-UHFFFAOYSA-N 0 3 278.425 2.595 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000637321387 384028131 /nfs/dbraw/zinc/02/81/31/384028131.db2.gz GYNQAKBDKIUSTI-AWEZNQCLSA-N 0 3 281.444 2.572 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000637323756 384030441 /nfs/dbraw/zinc/03/04/41/384030441.db2.gz KPGRJPORDCUYHC-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cnn(C)c1 ZINC000266133794 384090428 /nfs/dbraw/zinc/09/04/28/384090428.db2.gz DRIYVCJIFQXGPF-CQSZACIVSA-N 0 3 297.406 2.621 20 30 CFEDHN COc1ccc(CNC[C@@H](O)c2ccc(C)cc2)cc1C#N ZINC000266165046 384100163 /nfs/dbraw/zinc/10/01/63/384100163.db2.gz AANCENGPLHJOSD-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN CC[C@@H](F)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000440703022 384127009 /nfs/dbraw/zinc/12/70/09/384127009.db2.gz GIXJIZIENOAFCX-QGZVFWFLSA-N 0 3 289.398 2.814 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000637623431 384140203 /nfs/dbraw/zinc/14/02/03/384140203.db2.gz CCLLAKMVDMMVEE-OAHLLOKOSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000637623430 384140322 /nfs/dbraw/zinc/14/03/22/384140322.db2.gz CCLLAKMVDMMVEE-HNNXBMFYSA-N 0 3 293.455 2.857 20 30 CFEDHN CC[C@H]1CN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000266564380 384198861 /nfs/dbraw/zinc/19/88/61/384198861.db2.gz NSUIWDRFQXHACK-HNNXBMFYSA-N 0 3 276.405 2.916 20 30 CFEDHN Cc1ccccc1OCCN(C)CCCSCC#N ZINC000266734243 384229513 /nfs/dbraw/zinc/22/95/13/384229513.db2.gz MRWVRNKIZIFRDQ-UHFFFAOYSA-N 0 3 278.421 2.953 20 30 CFEDHN CN(CCNc1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000267151610 384309661 /nfs/dbraw/zinc/30/96/61/384309661.db2.gz CGBASNRNAMPNEL-UHFFFAOYSA-N 0 3 284.338 2.636 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)s1 ZINC000267166288 384313218 /nfs/dbraw/zinc/31/32/18/384313218.db2.gz GXIVGENYCGADNZ-CHWSQXEVSA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@@H]1COCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000277473195 384313182 /nfs/dbraw/zinc/31/31/82/384313182.db2.gz NNANAKVDYLHGBZ-YGRLFVJLSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@H]1COCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000277473186 384313257 /nfs/dbraw/zinc/31/32/57/384313257.db2.gz NNANAKVDYLHGBZ-HZMBPMFUSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@@H]1COCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000277502117 384321024 /nfs/dbraw/zinc/32/10/24/384321024.db2.gz PNSTWTLJAUHMJT-IUODEOHRSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CCC(C)C)c1 ZINC000637949031 384301898 /nfs/dbraw/zinc/30/18/98/384301898.db2.gz UCTSYZLVPPHPIH-HNNXBMFYSA-N 0 3 276.380 2.953 20 30 CFEDHN C#CCCCC(=O)NC[C@H](C(C)C)N(CC=C)CC=C ZINC000277440115 384303515 /nfs/dbraw/zinc/30/35/15/384303515.db2.gz DUTFXKZVOREPNX-MRXNPFEDSA-N 0 3 276.424 2.605 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000641768054 384335367 /nfs/dbraw/zinc/33/53/67/384335367.db2.gz VLLWDPCTAZPHDX-LLVKDONJSA-N 0 3 289.272 2.708 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccccc1OC1CCCC1 ZINC000641769742 384336542 /nfs/dbraw/zinc/33/65/42/384336542.db2.gz ZNOBNCAOSWTUJP-MRXNPFEDSA-N 0 3 287.403 2.872 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)cc1C ZINC000641782124 384348891 /nfs/dbraw/zinc/34/88/91/384348891.db2.gz IOANCOALTFXKRE-CMPLNLGQSA-N 0 3 284.197 2.955 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(Cl)c(C)c1 ZINC000641766785 384332064 /nfs/dbraw/zinc/33/20/64/384332064.db2.gz BRSRZLQXMJKSJY-ZDUSSCGKSA-N 0 3 251.757 2.512 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc(-c2cccnc2)c1 ZINC000641767662 384333784 /nfs/dbraw/zinc/33/37/84/384333784.db2.gz NWFKSKMKTIIWIR-GOSISDBHSA-N 0 3 280.371 2.613 20 30 CFEDHN C=CCCCN(C)Cc1cnc(CCOC)s1 ZINC000638098546 384415159 /nfs/dbraw/zinc/41/51/59/384415159.db2.gz NRUFZAIJHWTFCB-UHFFFAOYSA-N 0 3 254.399 2.730 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@H](O)CCOCC ZINC000277701414 384380073 /nfs/dbraw/zinc/38/00/73/384380073.db2.gz LYTTZQWUKUQZQQ-QGZVFWFLSA-N 0 3 277.408 2.505 20 30 CFEDHN N#Cc1cccc(NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277701033 384380454 /nfs/dbraw/zinc/38/04/54/384380454.db2.gz WGVRYIPRKDHCNC-MRXNPFEDSA-N 0 3 298.390 2.697 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000267420064 384386085 /nfs/dbraw/zinc/38/60/85/384386085.db2.gz KEPRIPPGMXJNPZ-OAHLLOKOSA-N 0 3 286.375 2.722 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000267807540 384469202 /nfs/dbraw/zinc/46/92/02/384469202.db2.gz LXTILXLFFXQBIU-UHFFFAOYSA-N 0 3 294.786 2.507 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000278170848 384489411 /nfs/dbraw/zinc/48/94/11/384489411.db2.gz CKIKYTMUWYPHDV-BBRMVZONSA-N 0 3 287.407 2.904 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000268128459 384539034 /nfs/dbraw/zinc/53/90/34/384539034.db2.gz DUDJCQJEAXYNPW-AWEZNQCLSA-N 0 3 264.413 2.603 20 30 CFEDHN CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccc(C#N)cc1 ZINC000278360902 384540756 /nfs/dbraw/zinc/54/07/56/384540756.db2.gz BIOICMIGEBQKBC-CVEARBPZSA-N 0 3 295.390 2.514 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000268205012 384565071 /nfs/dbraw/zinc/56/50/71/384565071.db2.gz HUSFPQBSVJAPMT-UHFFFAOYSA-N 0 3 290.407 2.938 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279186949 384607462 /nfs/dbraw/zinc/60/74/62/384607462.db2.gz VZPHRRAACDQXML-NHYWBVRUSA-N 0 3 290.363 2.844 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000638407897 384628193 /nfs/dbraw/zinc/62/81/93/384628193.db2.gz CVXKBEQOAVAZBK-KBPBESRZSA-N 0 3 252.402 2.565 20 30 CFEDHN CN(C)CCN(Cc1ccco1)c1cccc(F)c1C#N ZINC000268309006 384598938 /nfs/dbraw/zinc/59/89/38/384598938.db2.gz JFSCUAFRZFQIKN-UHFFFAOYSA-N 0 3 287.338 2.859 20 30 CFEDHN C=CC(C)(C)CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000638455772 384674454 /nfs/dbraw/zinc/67/44/54/384674454.db2.gz ZMSWTQQTXBGFFJ-OAHLLOKOSA-N 0 3 272.392 2.940 20 30 CFEDHN C=CCC[C@H](C)NCc1ncnn1-c1ccccc1 ZINC000279579921 384685380 /nfs/dbraw/zinc/68/53/80/384685380.db2.gz UIXMXVYNHAZKMQ-ZDUSSCGKSA-N 0 3 256.353 2.712 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000268961764 384701815 /nfs/dbraw/zinc/70/18/15/384701815.db2.gz ZECDEFPLNFVFDX-UHFFFAOYSA-N 0 3 298.308 2.989 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccco1 ZINC000643538444 384719718 /nfs/dbraw/zinc/71/97/18/384719718.db2.gz KKODAIYNDCMDHP-RWMBFGLXSA-N 0 3 252.333 2.577 20 30 CFEDHN C=CCN(C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000279829519 384778061 /nfs/dbraw/zinc/77/80/61/384778061.db2.gz YYOXBSBAYKKGAR-KRWDZBQOSA-N 0 3 255.361 2.861 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000279706997 384728984 /nfs/dbraw/zinc/72/89/84/384728984.db2.gz HQTKZZFHTSSWLN-GOEBONIOSA-N 0 3 288.391 2.562 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@](C)(O)CC2)c1 ZINC000279759508 384749648 /nfs/dbraw/zinc/74/96/48/384749648.db2.gz ZRCVIKKOFRXFKS-KRWDZBQOSA-N 0 3 275.392 2.988 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1C#N ZINC000269719258 384848951 /nfs/dbraw/zinc/84/89/51/384848951.db2.gz SVZJWTMSHTWWEQ-CQSZACIVSA-N 0 3 296.374 2.670 20 30 CFEDHN CC(C)CC[C@@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000280264723 384950189 /nfs/dbraw/zinc/95/01/89/384950189.db2.gz QAUCRPJVVBOXTI-MRXNPFEDSA-N 0 3 272.392 2.934 20 30 CFEDHN CN(C)CCN(Cc1cccs1)c1cccc(C#N)n1 ZINC000270010007 384940881 /nfs/dbraw/zinc/94/08/81/384940881.db2.gz AOPGDHLJVHWPBL-UHFFFAOYSA-N 0 3 286.404 2.583 20 30 CFEDHN C[C@@H](NC(=O)Cc1ccc2n[nH]cc2c1)C1=CCN(C)CC1 ZINC000330029444 533100127 /nfs/dbraw/zinc/10/01/27/533100127.db2.gz QAGYMBQNUZLULC-GFCCVEGCSA-N 0 3 298.390 2.712 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000270099694 384976854 /nfs/dbraw/zinc/97/68/54/384976854.db2.gz LSVHJQZKKRQBKZ-BBWFWOEESA-N 0 3 282.387 2.996 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000289265583 197279506 /nfs/dbraw/zinc/27/95/06/197279506.db2.gz NBAWSIHPTYUGHA-MAUKXSAKSA-N 0 3 279.387 2.948 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000280530643 385048553 /nfs/dbraw/zinc/04/85/53/385048553.db2.gz BWWGGUCTJLKMMF-GDBMZVCRSA-N 0 3 274.339 2.768 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000270387396 385082685 /nfs/dbraw/zinc/08/26/85/385082685.db2.gz RMJJJRBDMNDQMO-DAYGRLMNSA-N 0 3 298.430 2.945 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(CC#N)cc1)N1CCC[C@H](C)C1 ZINC000270300626 385045705 /nfs/dbraw/zinc/04/57/05/385045705.db2.gz YURXPTDIKWBMCA-LSDHHAIUSA-N 0 3 299.418 2.603 20 30 CFEDHN C#CC[C@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000270400998 385089265 /nfs/dbraw/zinc/08/92/65/385089265.db2.gz JSIJWIQBVRNHOE-YOEHRIQHSA-N 0 3 299.418 2.533 20 30 CFEDHN C#CC[C@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000270400988 385089525 /nfs/dbraw/zinc/08/95/25/385089525.db2.gz JSIJWIQBVRNHOE-PBHICJAKSA-N 0 3 299.418 2.533 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(CC)nn(C)c1Cl ZINC000280635614 385093439 /nfs/dbraw/zinc/09/34/39/385093439.db2.gz MPQRDPYQAXBHGT-SMDDNHRTSA-N 0 3 297.830 2.707 20 30 CFEDHN C=CCN1CCC(Nc2nc3ccccc3[nH]2)CC1 ZINC000270592400 385159420 /nfs/dbraw/zinc/15/94/20/385159420.db2.gz SXNLCLVQXNCUGY-UHFFFAOYSA-N 0 3 256.353 2.625 20 30 CFEDHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000270640856 385173787 /nfs/dbraw/zinc/17/37/87/385173787.db2.gz JTXVDZMPZXCTBF-MEDUHNTESA-N 0 3 288.322 2.892 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@H](NCc2ccc(C#N)o2)CCO1 ZINC000270650501 385177473 /nfs/dbraw/zinc/17/74/73/385177473.db2.gz LTGDKNZVYLRHIS-RISCZKNCSA-N 0 3 262.353 2.835 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000334910881 533110783 /nfs/dbraw/zinc/11/07/83/533110783.db2.gz PVHVVWFHWFRLPN-GXFFZTMASA-N 0 3 278.302 2.658 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000334764054 533110853 /nfs/dbraw/zinc/11/08/53/533110853.db2.gz RFOONXZDCWCKLJ-TVQRCGJNSA-N 0 3 264.275 2.788 20 30 CFEDHN COc1cc(CN2CCSCC[C@@H]2C)ccc1C#N ZINC000282111098 385216713 /nfs/dbraw/zinc/21/67/13/385216713.db2.gz AFOTXVRMPXGKOO-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(C)c(C)n2)CC1 ZINC000270803516 385231913 /nfs/dbraw/zinc/23/19/13/385231913.db2.gz 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260.356 2.839 20 30 CFEDHN COCC1(C#N)CCN(C[C@H]2Cc3ccccc32)CC1 ZINC000347183786 533112094 /nfs/dbraw/zinc/11/20/94/533112094.db2.gz LPXKTNYRVOGECL-OAHLLOKOSA-N 0 3 270.376 2.578 20 30 CFEDHN C#CCN(CC)Cc1ccc(OC)c(COCC)c1 ZINC000271127408 385343580 /nfs/dbraw/zinc/34/35/80/385343580.db2.gz IDZKQBNFKWYFJI-UHFFFAOYSA-N 0 3 261.365 2.687 20 30 CFEDHN COC(=O)[C@]1(C)CN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000282591130 385347585 /nfs/dbraw/zinc/34/75/85/385347585.db2.gz VORHACQABRCREZ-IIYDPXPESA-N 0 3 286.375 2.750 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)c(O)cc1Cl ZINC000639233028 385362764 /nfs/dbraw/zinc/36/27/64/385362764.db2.gz UDIKGDUXUPODON-OCCSQVGLSA-N 0 3 297.782 2.877 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639233086 385363071 /nfs/dbraw/zinc/36/30/71/385363071.db2.gz VKMBPOVRBFPVCK-QLFBSQMISA-N 0 3 290.411 2.749 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC000639238353 385368204 /nfs/dbraw/zinc/36/82/04/385368204.db2.gz 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RMBZTMSJYHMEJV-XHDPSFHLSA-N 0 3 278.783 2.852 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1c[nH]c(C(=O)OC)c1 ZINC000272587607 385570085 /nfs/dbraw/zinc/57/00/85/385570085.db2.gz HMPPIQLWQJLENH-UHFFFAOYSA-N 0 3 288.347 2.625 20 30 CFEDHN C=C(Cl)CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000286218358 385573122 /nfs/dbraw/zinc/57/31/22/385573122.db2.gz SFUGSCPUJACKGU-UHFFFAOYSA-N 0 3 275.783 2.869 20 30 CFEDHN C=CCC[C@H](NC[C@]1(O)CCSC1)c1ccco1 ZINC000286339375 385593771 /nfs/dbraw/zinc/59/37/71/385593771.db2.gz YFUCFWOEOYIKQW-GXTWGEPZSA-N 0 3 267.394 2.745 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)CN1CCCC1=O)c1ccco1 ZINC000286363294 385598709 /nfs/dbraw/zinc/59/87/09/385598709.db2.gz ZHNUTJBBIWPGFA-KBPBESRZSA-N 0 3 276.380 2.887 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281195007 195144054 /nfs/dbraw/zinc/14/40/54/195144054.db2.gz IQYYKYYUXXPXRP-CZUORRHYSA-N 0 3 290.382 2.648 20 30 CFEDHN CN(CCCN(C)c1ncccc1C#N)Cc1ccco1 ZINC000286417864 385614477 /nfs/dbraw/zinc/61/44/77/385614477.db2.gz OJLPUHMJRRPHTB-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN C#CCN(CCCn1ccnc1C)Cc1ccc(F)cc1 ZINC000269138736 533134018 /nfs/dbraw/zinc/13/40/18/533134018.db2.gz YHIUPBRTEQALSF-UHFFFAOYSA-N 0 3 285.366 2.856 20 30 CFEDHN C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272900689 385647109 /nfs/dbraw/zinc/64/71/09/385647109.db2.gz IQVRXDRBOKHHPL-NSHDSACASA-N 0 3 286.335 2.529 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccc(F)c(C#N)c1 ZINC000286570851 385653669 /nfs/dbraw/zinc/65/36/69/385653669.db2.gz PQDNSTVFGOUHCZ-UMCUTINXSA-N 0 3 286.350 2.553 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2OC[C@H]1C ZINC000272947918 385663679 /nfs/dbraw/zinc/66/36/79/385663679.db2.gz MAQABICXOCQWAX-UKRRQHHQSA-N 0 3 261.365 2.597 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](CCCN3C)C2)c1 ZINC000273328846 385676686 /nfs/dbraw/zinc/67/66/86/385676686.db2.gz QROAJJNUYKHWJF-DLBZAZTESA-N 0 3 297.402 2.681 20 30 CFEDHN CN1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C(C)(C)C ZINC000639746589 385691875 /nfs/dbraw/zinc/69/18/75/385691875.db2.gz JNIIDNAOHUILQF-KRWDZBQOSA-N 0 3 288.410 2.839 20 30 CFEDHN C=CCC[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccco1 ZINC000287019442 385763841 /nfs/dbraw/zinc/76/38/41/385763841.db2.gz LBGGUQXVHWKTPD-ZIAGYGMSSA-N 0 3 297.420 2.701 20 30 CFEDHN C=CCCCCCN1CCc2nc(COC)ncc2C1 ZINC000639914740 385768996 /nfs/dbraw/zinc/76/89/96/385768996.db2.gz PJKFKVUMVBLYKL-UHFFFAOYSA-N 0 3 275.396 2.728 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(C)nc(CC)n2)CC1 ZINC000287232614 385808593 /nfs/dbraw/zinc/80/85/93/385808593.db2.gz JEUFOJWWZGGDQP-UHFFFAOYSA-N 0 3 274.412 2.800 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287269447 385816813 /nfs/dbraw/zinc/81/68/13/385816813.db2.gz HQJHZIUPWUSPOO-YOEHRIQHSA-N 0 3 297.402 2.564 20 30 CFEDHN C=CCCCCNCc1c(C)nc2sc(C)nn12 ZINC000274629427 385837924 /nfs/dbraw/zinc/83/79/24/385837924.db2.gz YYKJXZYTHKWZKN-UHFFFAOYSA-N 0 3 264.398 2.854 20 30 CFEDHN C/C=C/C[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000274660602 385843356 /nfs/dbraw/zinc/84/33/56/385843356.db2.gz VMIRUKYYYHYEQE-FSHFUFFASA-N 0 3 262.328 2.675 20 30 CFEDHN C#CCN(CC)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274704038 385853388 /nfs/dbraw/zinc/85/33/88/385853388.db2.gz YWWLNKXSLQXZQW-UHFFFAOYSA-N 0 3 259.349 2.787 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639962641 385795364 /nfs/dbraw/zinc/79/53/64/385795364.db2.gz XRDNBHLSTFOZNO-MRXNPFEDSA-N 0 3 298.430 2.991 20 30 CFEDHN C=C(C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000274988413 385907779 /nfs/dbraw/zinc/90/77/79/385907779.db2.gz DBSVTJQEOBSRIZ-UHFFFAOYSA-N 0 3 272.392 2.978 20 30 CFEDHN C=CCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000276089975 385983140 /nfs/dbraw/zinc/98/31/40/385983140.db2.gz MJDYKRPKEDKAGJ-HOTGVXAUSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000275102804 385932615 /nfs/dbraw/zinc/93/26/15/385932615.db2.gz COQLRPZWJLTOPY-FHLIZLRMSA-N 0 3 298.430 2.945 20 30 CFEDHN C[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000275135900 385941971 /nfs/dbraw/zinc/94/19/71/385941971.db2.gz PKSPMAVTESMNHB-ONERCXAPSA-N 0 3 262.328 2.651 20 30 CFEDHN C[C@H](N[C@H]1CCCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000275135897 385942020 /nfs/dbraw/zinc/94/20/20/385942020.db2.gz PKSPMAVTESMNHB-LKTVYLICSA-N 0 3 262.328 2.651 20 30 CFEDHN COCC#CCN1CCC[C@]1(C)Cc1ccccc1 ZINC000681037966 542401829 /nfs/dbraw/zinc/40/18/29/542401829.db2.gz OZWSIOQFJMUYMB-QGZVFWFLSA-N 0 3 257.377 2.733 20 30 CFEDHN COC1CCC(N(C)CC#Cc2ccccc2)CC1 ZINC000276743679 386031445 /nfs/dbraw/zinc/03/14/45/386031445.db2.gz DKXPLBKDXAPIPZ-UHFFFAOYSA-N 0 3 257.377 2.928 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000681046632 542404078 /nfs/dbraw/zinc/40/40/78/542404078.db2.gz CPGPILQDKQXWHW-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@H](CC)NCc1ccc(C(=O)OCC)o1 ZINC000281211387 195151314 /nfs/dbraw/zinc/15/13/14/195151314.db2.gz JTZMGISEJCDPNW-NSHDSACASA-N 0 3 251.326 2.901 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC)c1ccc(Cl)cc1 ZINC000120241908 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/nfs/dbraw/zinc/97/72/80/393977280.db2.gz JLIXFNPLRCIZEM-LSDHHAIUSA-N 0 3 252.402 2.674 20 30 CFEDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000487189530 393988541 /nfs/dbraw/zinc/98/85/41/393988541.db2.gz ICENWIZEJIHUBK-WMLDXEAASA-N 0 3 299.418 2.651 20 30 CFEDHN N#Cc1ccc(OCCNC/C=C/c2ccncc2)cc1 ZINC000487303932 393996217 /nfs/dbraw/zinc/99/62/17/393996217.db2.gz AVVQWROEHNXFIG-OWOJBTEDSA-N 0 3 279.343 2.635 20 30 CFEDHN Cc1cc(CN2CCN(C3CCC3)CC2)ccc1C#N ZINC000487877246 394027035 /nfs/dbraw/zinc/02/70/35/394027035.db2.gz OIIQNBYLSYWJTQ-UHFFFAOYSA-N 0 3 269.392 2.537 20 30 CFEDHN C#CCN(Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000274112036 394039306 /nfs/dbraw/zinc/03/93/06/394039306.db2.gz LMYJUKZMXGPKIL-UHFFFAOYSA-N 0 3 267.376 2.634 20 30 CFEDHN C#C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(C)C ZINC000281958637 394100885 /nfs/dbraw/zinc/10/08/85/394100885.db2.gz INUMKZNNILYYBR-KRWDZBQOSA-N 0 3 284.403 2.670 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000492934058 394102396 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/nfs/dbraw/zinc/09/31/90/394093190.db2.gz GJOSSIDJWUKJEN-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN CC(C)(O)C(C)(C)NCC#Cc1cccc(Cl)c1 ZINC000272438534 394028232 /nfs/dbraw/zinc/02/82/32/394028232.db2.gz BWESHNPIYPWMPX-UHFFFAOYSA-N 0 3 265.784 2.831 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)[C@@H](C)CN1C ZINC000439440115 394115217 /nfs/dbraw/zinc/11/52/17/394115217.db2.gz POYIQXYZVOAUEX-NEPJUHHUSA-N 0 3 277.799 2.736 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1ncnn1C(C)(C)C ZINC000282765161 394126641 /nfs/dbraw/zinc/12/66/41/394126641.db2.gz OMCQTDHVYNZXAD-NEPJUHHUSA-N 0 3 250.390 2.723 20 30 CFEDHN CC(C)N1CCC[C@@H](NC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493025437 394128571 /nfs/dbraw/zinc/12/85/71/394128571.db2.gz OXROXPTZFVRXND-XZVRFQMRSA-N 0 3 297.402 2.560 20 30 CFEDHN CC(=O)CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285357077 394142123 /nfs/dbraw/zinc/14/21/23/394142123.db2.gz BDXHWNWLLLGHBD-UHFFFAOYSA-N 0 3 290.338 2.520 20 30 CFEDHN CN(C)[C@@H](CNc1cc(C#N)ccn1)c1ccccc1 ZINC000285711837 394146474 /nfs/dbraw/zinc/14/64/74/394146474.db2.gz RRPJTBMJCZFDRW-HNNXBMFYSA-N 0 3 266.348 2.668 20 30 CFEDHN CCCCN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000132614221 394159031 /nfs/dbraw/zinc/15/90/31/394159031.db2.gz KTCMJACVDPQTLO-MRXNPFEDSA-N 0 3 285.391 2.786 20 30 CFEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NCC#N ZINC000360948280 394161016 /nfs/dbraw/zinc/16/10/16/394161016.db2.gz QSAMMIXSMNWODI-MRXNPFEDSA-N 0 3 271.408 2.573 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](O)C2(C)C)cc1 ZINC000361053929 394163801 /nfs/dbraw/zinc/16/38/01/394163801.db2.gz SGOJHXMLHKNQQD-OAHLLOKOSA-N 0 3 261.365 2.597 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000361077204 394164939 /nfs/dbraw/zinc/16/49/39/394164939.db2.gz GKWIATHQPCYEED-QGPMSJSTSA-N 0 3 299.418 2.747 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000361154061 394166704 /nfs/dbraw/zinc/16/67/04/394166704.db2.gz OFCFLRWCFDRQKR-LSDHHAIUSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000361154059 394167140 /nfs/dbraw/zinc/16/71/40/394167140.db2.gz OFCFLRWCFDRQKR-GJZGRUSLSA-N 0 3 274.408 2.776 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H](CCO)CC2)c1 ZINC000421044643 394169169 /nfs/dbraw/zinc/16/91/69/394169169.db2.gz SUQPGGMKCBZGRH-CYBMUJFWSA-N 0 3 276.355 2.682 20 30 CFEDHN Cc1nsc(N2CCCN(C3CCCC3)CC2)c1C#N ZINC000287220454 394203398 /nfs/dbraw/zinc/20/33/98/394203398.db2.gz IUQGLVOCBWOKBP-UHFFFAOYSA-N 0 3 290.436 2.778 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000150898292 394256204 /nfs/dbraw/zinc/25/62/04/394256204.db2.gz YGKRBFWLNCKSTI-CYBMUJFWSA-N 0 3 297.443 2.677 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3cnccc3c2)CC1 ZINC000448919568 394210024 /nfs/dbraw/zinc/21/00/24/394210024.db2.gz BJVCQQUXUMXHMV-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)(C)C ZINC000290181875 394227524 /nfs/dbraw/zinc/22/75/24/394227524.db2.gz NVJQMAOJTUDNKR-OAHLLOKOSA-N 0 3 277.364 2.547 20 30 CFEDHN C#C[C@@H](NCc1cc(OC)c(OC)cc1O)C(C)(C)C ZINC000290181875 394227525 /nfs/dbraw/zinc/22/75/25/394227525.db2.gz NVJQMAOJTUDNKR-OAHLLOKOSA-N 0 3 277.364 2.547 20 30 CFEDHN CC[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)OC ZINC000290307940 394228538 /nfs/dbraw/zinc/22/85/38/394228538.db2.gz ZMWOGWQBQNZDNG-OCCSQVGLSA-N 0 3 262.353 2.665 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NCC1CCC1 ZINC000150891895 394254671 /nfs/dbraw/zinc/25/46/71/394254671.db2.gz QQIPSVNNFLVDSM-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN Cc1cccc(NCCNCc2ccc(C#N)c(F)c2)n1 ZINC000421339172 394190879 /nfs/dbraw/zinc/19/08/79/394190879.db2.gz FZXKVXWPRFMBFO-UHFFFAOYSA-N 0 3 284.338 2.603 20 30 CFEDHN CN(C)[C@H](CNc1cc(C#N)ccn1)c1ccsc1 ZINC000286097292 394191665 /nfs/dbraw/zinc/19/16/65/394191665.db2.gz KUFOKABVYXPBDZ-CYBMUJFWSA-N 0 3 272.377 2.730 20 30 CFEDHN COC(=O)CCC(C)(C)NCc1ccc(C#N)c(F)c1 ZINC000421344797 394192768 /nfs/dbraw/zinc/19/27/68/394192768.db2.gz QBQXDCGVMUVKMK-UHFFFAOYSA-N 0 3 278.327 2.519 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1snc(Cl)c1C#N ZINC000286211836 394194632 /nfs/dbraw/zinc/19/46/32/394194632.db2.gz CKAMJBWJSAOGRA-NXEZZACHSA-N 0 3 296.827 2.731 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)Nc1cc(C#N)ccn1 ZINC000286499015 394196725 /nfs/dbraw/zinc/19/67/25/394196725.db2.gz MTWGJVDPWCBZOH-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C=CCC[C@H](O)CN(CCC(F)(F)F)CC1CC1 ZINC000151349912 394261805 /nfs/dbraw/zinc/26/18/05/394261805.db2.gz IVFHMFNWZRRYEM-LBPRGKRZSA-N 0 3 265.319 2.978 20 30 CFEDHN C[C@@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000493551975 394276053 /nfs/dbraw/zinc/27/60/53/394276053.db2.gz STGORFDILZPBEK-CABCVRRESA-N 0 3 278.783 2.852 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000493567013 394280190 /nfs/dbraw/zinc/28/01/90/394280190.db2.gz ZGDAYAVZBJYFAW-XZVRFQMRSA-N 0 3 297.402 2.513 20 30 CFEDHN CC(C)(CO)[C@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC000293108289 394280790 /nfs/dbraw/zinc/28/07/90/394280790.db2.gz QTBKABHMHDQKRU-MRXNPFEDSA-N 0 3 275.367 2.564 20 30 CFEDHN N#Cc1cccc(N2CCN(CC34CCC(CC3)C4)CC2)n1 ZINC000450746091 394333644 /nfs/dbraw/zinc/33/36/44/394333644.db2.gz IAIPOYMUFTUEDD-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN CC#CCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000155392903 394316395 /nfs/dbraw/zinc/31/63/95/394316395.db2.gz HGBKOLVGGZCUPG-CQSZACIVSA-N 0 3 257.333 2.966 20 30 CFEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(C#N)c2)sc1C ZINC000155651446 394321027 /nfs/dbraw/zinc/32/10/27/394321027.db2.gz FEXPZRBZXWGHDR-ZDUSSCGKSA-N 0 3 296.355 2.878 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1C(C)(C)CC ZINC000156679337 394337190 /nfs/dbraw/zinc/33/71/90/394337190.db2.gz SIRSCRSRXQYPBH-GJZGRUSLSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@H]1OCC[C@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000494236189 394345868 /nfs/dbraw/zinc/34/58/68/394345868.db2.gz BOBRXZRKOGFJMW-BMIGLBTASA-N 0 3 296.317 2.817 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCC#Cc2ccccc2)C1(C)C ZINC000451507342 394376552 /nfs/dbraw/zinc/37/65/52/394376552.db2.gz WTDFBVKFUMNWFD-FVQBIDKESA-N 0 3 257.377 2.687 20 30 CFEDHN C=CCCCCN(C)CC(=O)NCc1ccccc1 ZINC000519744103 394377234 /nfs/dbraw/zinc/37/72/34/394377234.db2.gz VHMNVLFETXXUNE-UHFFFAOYSA-N 0 3 260.381 2.591 20 30 CFEDHN CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H](O)C(F)F ZINC000453272971 394382816 /nfs/dbraw/zinc/38/28/16/394382816.db2.gz SSBMSNULSWIHRM-MELADBBJSA-N 0 3 280.318 2.540 20 30 CFEDHN C=C(C)[C@@H](CO)N1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000685040469 542889231 /nfs/dbraw/zinc/88/92/31/542889231.db2.gz VDEOOZNJJIETIG-DLTWYDFYSA-N 0 3 279.424 2.593 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccccc1SC ZINC000685041287 542889983 /nfs/dbraw/zinc/88/99/83/542889983.db2.gz LOJGZUBKBKKNGD-AAEUAGOBSA-N 0 3 251.395 2.996 20 30 CFEDHN Cc1cc(CN[C@@]23C[C@@H]2COC3(C)C)ccc1C#N ZINC000527767659 394405504 /nfs/dbraw/zinc/40/55/04/394405504.db2.gz WVWQXUMNRYTQGX-ZBFHGGJFSA-N 0 3 256.349 2.524 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc(C#N)cs1 ZINC000527805261 394410617 /nfs/dbraw/zinc/41/06/17/394410617.db2.gz UXCLKKHVGHONEW-QISWUMQESA-N 0 3 250.367 2.521 20 30 CFEDHN CC/C=C/CNC(=O)C(C#N)CCc1ccccc1 ZINC000456097176 394438409 /nfs/dbraw/zinc/43/84/09/394438409.db2.gz MPBBIMRLXFXBRO-MIOHMZDASA-N 0 3 256.349 2.841 20 30 CFEDHN CC[C@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556086898 394990047 /nfs/dbraw/zinc/99/00/47/394990047.db2.gz OMNNCVVCXCMWCS-DOTOQJQBSA-N 0 3 297.402 2.928 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cn2)[C@@H](C)[C@@H]1OC ZINC000558245650 395055829 /nfs/dbraw/zinc/05/58/29/395055829.db2.gz HBXQPWLBZGQOFQ-WQVCFCJDSA-N 0 3 287.407 2.883 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000594427201 395103268 /nfs/dbraw/zinc/10/32/68/395103268.db2.gz GSTNWHRMOVGOQM-TZMCWYRMSA-N 0 3 291.420 2.727 20 30 CFEDHN CC[C@@H](C)N[C@H](CNc1ccncc1C#N)c1ccco1 ZINC000557693890 395043871 /nfs/dbraw/zinc/04/38/71/395043871.db2.gz NLMAVLUFFWQLPH-IUODEOHRSA-N 0 3 284.363 2.509 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)s1 ZINC000557778231 395046175 /nfs/dbraw/zinc/04/61/75/395046175.db2.gz CPYHRICINUMIJW-GFCCVEGCSA-N 0 3 291.420 2.566 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](C)C[C@H]2c2ccccc2)C1=O ZINC000285848227 542971888 /nfs/dbraw/zinc/97/18/88/542971888.db2.gz WYAHZGMPHXAMQS-PVAVHDDUSA-N 0 3 284.403 2.856 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnn(-c2ccccc2C)c1 ZINC000647215048 395231819 /nfs/dbraw/zinc/23/18/19/395231819.db2.gz DXQSDAIBAUISKD-WBVHZDCISA-N 0 3 283.375 2.614 20 30 CFEDHN FC(F)(F)c1ccc(C#CCN[C@@H]2CCCOC2)cc1 ZINC000181214681 543020627 /nfs/dbraw/zinc/02/06/27/543020627.db2.gz PNFOUSZHBFVENV-CQSZACIVSA-N 0 3 283.293 2.826 20 30 CFEDHN C=C(C)COCCNCc1cnn(-c2ccccc2C)c1 ZINC000647192672 395214148 /nfs/dbraw/zinc/21/41/48/395214148.db2.gz SDWDWDCHDHPYRO-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1nc(C)ncc1C)C(C)C ZINC000647854320 395445682 /nfs/dbraw/zinc/44/56/82/395445682.db2.gz LHOYWZFTLOYJKL-MRXNPFEDSA-N 0 3 288.439 2.626 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1cccc(Br)c1 ZINC000649254358 395462105 /nfs/dbraw/zinc/46/21/05/395462105.db2.gz GEQVABAIEFHBAR-CYBMUJFWSA-N 0 3 284.197 2.818 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(CC)CCOC2)cc1 ZINC000381194031 543084486 /nfs/dbraw/zinc/08/44/86/543084486.db2.gz JIMDUDUEULGZLO-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)CC1CCCCC1 ZINC000044714817 397568116 /nfs/dbraw/zinc/56/81/16/397568116.db2.gz PEVQPXBAAHTYPA-UHFFFAOYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=CCN(CCc1ccco1)CC(C)(C)COC ZINC000426367449 397573716 /nfs/dbraw/zinc/57/37/16/397573716.db2.gz UJRGSXZCNKDXGJ-UHFFFAOYSA-N 0 3 251.370 2.983 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)nc(C)c2C)CC1 ZINC000301666903 397638688 /nfs/dbraw/zinc/63/86/88/397638688.db2.gz CNDSELLVMLBIQM-UHFFFAOYSA-N 0 3 274.412 2.854 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCCC#N)N(C)C ZINC000360577636 397660237 /nfs/dbraw/zinc/66/02/37/397660237.db2.gz ARHUEMNPADYPEC-WMLDXEAASA-N 0 3 287.407 2.796 20 30 CFEDHN CCCN(CCN1CCCCC1)Cc1nc(C#N)cs1 ZINC000356305409 155217971 /nfs/dbraw/zinc/21/79/71/155217971.db2.gz YXCUNKAEYDISNC-UHFFFAOYSA-N 0 3 292.452 2.713 20 30 CFEDHN CO[C@](C)(CNCc1ccc(C#N)s1)C1CC1 ZINC000291025044 286145881 /nfs/dbraw/zinc/14/58/81/286145881.db2.gz HRVDHVDYNIYXSU-CYBMUJFWSA-N 0 3 250.367 2.524 20 30 CFEDHN Cc1ccc([C@@H]2CCN(C(=O)C(C)C#N)C2)c(C)c1 ZINC000336065219 292217179 /nfs/dbraw/zinc/21/71/79/292217179.db2.gz MNUBPKNJLQQMJO-UONOGXRCSA-N 0 3 256.349 2.779 20 30 CFEDHN Cc1ccc([C@@H]2CCN(C(=O)C(C)C#N)C2)c(C)c1 ZINC000336065220 292217857 /nfs/dbraw/zinc/21/78/57/292217857.db2.gz MNUBPKNJLQQMJO-ZIAGYGMSSA-N 0 3 256.349 2.779 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(=O)[nH]c3cccnc23)CC1 ZINC000663568545 413271985 /nfs/dbraw/zinc/27/19/85/413271985.db2.gz XFJRFQRKZHBGDM-UHFFFAOYSA-N 0 3 298.390 2.788 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N(C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000343373376 154187502 /nfs/dbraw/zinc/18/75/02/154187502.db2.gz OPNRVCIJPFAFFY-XYPWUTKMSA-N 0 3 297.402 2.822 20 30 CFEDHN CCC(CC)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355459336 155013498 /nfs/dbraw/zinc/01/34/98/155013498.db2.gz UQLHLSBEJNFEKY-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN CNc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000355649536 155053539 /nfs/dbraw/zinc/05/35/39/155053539.db2.gz HGJBNDIMVIQKQJ-SSDOTTSWSA-N 0 3 271.242 2.737 20 30 CFEDHN CC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358569955 155806065 /nfs/dbraw/zinc/80/60/65/155806065.db2.gz MUAQANASPHRYSJ-IINYFYTJSA-N 0 3 250.317 2.509 20 30 CFEDHN CCCCN(C)CCNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360197083 156049213 /nfs/dbraw/zinc/04/92/13/156049213.db2.gz DEIOBKFZFVQCRN-CQSZACIVSA-N 0 3 287.407 2.510 20 30 CFEDHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000362960767 156129285 /nfs/dbraw/zinc/12/92/85/156129285.db2.gz RUQWTQYZWXFXHV-MRXNPFEDSA-N 0 3 286.375 2.642 20 30 CFEDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)c(F)c1 ZINC000373810542 157033136 /nfs/dbraw/zinc/03/31/36/157033136.db2.gz CIAJWWUJXWBYCT-MZBDJJRSSA-N 0 3 274.339 2.575 20 30 CFEDHN Cc1nc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)n[nH]1 ZINC000373818253 157035220 /nfs/dbraw/zinc/03/52/20/157035220.db2.gz JPLGKYOBRSDGEP-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000373818253 157035224 /nfs/dbraw/zinc/03/52/24/157035224.db2.gz JPLGKYOBRSDGEP-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc(C2CCN(Cc3ccc(C#N)c(F)c3)CC2)[nH]1 ZINC000373818253 157035229 /nfs/dbraw/zinc/03/52/29/157035229.db2.gz JPLGKYOBRSDGEP-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@]2(C1)CCCOC2 ZINC000375294708 157220111 /nfs/dbraw/zinc/22/01/11/157220111.db2.gz YXXLBIPHNMHFOI-INIZCTEOSA-N 0 3 256.349 2.561 20 30 CFEDHN C=CCCn1cc(CNCCc2c[nH]c3ccccc23)nn1 ZINC000657286069 413396097 /nfs/dbraw/zinc/39/60/97/413396097.db2.gz FYZUBZVRLVGDHV-UHFFFAOYSA-N 0 3 295.390 2.668 20 30 CFEDHN C=C(C)CN1CCC(Nc2nccc(SC)n2)CC1 ZINC000651308336 413399850 /nfs/dbraw/zinc/39/98/50/413399850.db2.gz LCANYZIBYNUBDN-UHFFFAOYSA-N 0 3 278.425 2.651 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](C)C[C@H]2C)nn1 ZINC000653620716 413406995 /nfs/dbraw/zinc/40/69/95/413406995.db2.gz VSTXWAPKKDABLE-UMVBOHGHSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCCCC2(C)C)nn1 ZINC000653619773 413407829 /nfs/dbraw/zinc/40/78/29/413407829.db2.gz DTTHEFVXIWTUMS-CQSZACIVSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)nn1 ZINC000653621021 413409612 /nfs/dbraw/zinc/40/96/12/413409612.db2.gz ZSTXFUXDZHMUHN-KCQAQPDRSA-N 0 3 262.401 2.769 20 30 CFEDHN N#CC(C(=O)c1cc[nH]c1C1CCC1)c1ccncn1 ZINC000651339957 413411893 /nfs/dbraw/zinc/41/18/93/413411893.db2.gz BGSNDYXZPKMKLY-GFCCVEGCSA-N 0 3 266.304 2.562 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCCC2CCC2)CC1 ZINC000660597006 413422728 /nfs/dbraw/zinc/42/27/28/413422728.db2.gz LIKHLTPEYNNOHQ-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCc1ccc(C#N)cc1F ZINC000344733934 162109780 /nfs/dbraw/zinc/10/97/80/162109780.db2.gz WMBSGVCXVKAZEE-UHFFFAOYSA-N 0 3 292.354 2.909 20 30 CFEDHN COC(C)(C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346139882 162328867 /nfs/dbraw/zinc/32/88/67/162328867.db2.gz UVKXVMXHZYIRAK-SNVBAGLBSA-N 0 3 250.317 2.773 20 30 CFEDHN CC[C@H](COC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346145240 162332090 /nfs/dbraw/zinc/33/20/90/162332090.db2.gz UWAKJRMQDIWFLH-ZWNOBZJWSA-N 0 3 250.317 2.773 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000346166220 162339369 /nfs/dbraw/zinc/33/93/69/162339369.db2.gz NWZHAPIZGMRCDF-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(-c3c[nH]c(C#N)c3)n2)cc1 ZINC000351847724 163203236 /nfs/dbraw/zinc/20/32/36/163203236.db2.gz BDAMEFFNLJDALW-UHFFFAOYSA-N 0 3 293.330 2.665 20 30 CFEDHN COCC[C@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000352885471 163261921 /nfs/dbraw/zinc/26/19/21/163261921.db2.gz FLSIUQWKRNPNBU-NSHDSACASA-N 0 3 267.398 2.556 20 30 CFEDHN N#Cc1csc(CNCC2CCC(F)(F)CC2)n1 ZINC000352885439 163262192 /nfs/dbraw/zinc/26/21/92/163262192.db2.gz FCGIUTJYYOYJQV-UHFFFAOYSA-N 0 3 271.336 2.930 20 30 CFEDHN COCC[C@@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000352885469 163262461 /nfs/dbraw/zinc/26/24/61/163262461.db2.gz FLSIUQWKRNPNBU-LLVKDONJSA-N 0 3 267.398 2.556 20 30 CFEDHN CN(C)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353408338 163359896 /nfs/dbraw/zinc/35/98/96/163359896.db2.gz CRZUPJMNEKLPPT-QGZVFWFLSA-N 0 3 292.386 2.796 20 30 CFEDHN Cc1nnc(CCN[C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000353568868 163396948 /nfs/dbraw/zinc/39/69/48/163396948.db2.gz PXAHDNBBTFYDON-VIFPVBQESA-N 0 3 290.367 2.751 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)C(C)C ZINC000284269213 196017183 /nfs/dbraw/zinc/01/71/83/196017183.db2.gz MQHAYAONKRFSLX-MRXNPFEDSA-N 0 3 263.381 2.700 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC=CC[C@H]2C)CC1 ZINC000284292871 196022744 /nfs/dbraw/zinc/02/27/44/196022744.db2.gz NXTJHTMDOSRTJM-GDBMZVCRSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](COC)c1ccc(OCC)cc1 ZINC000284822709 196137929 /nfs/dbraw/zinc/13/79/29/196137929.db2.gz RDJRQJPWYDHASB-WBVHZDCISA-N 0 3 293.407 2.690 20 30 CFEDHN C=CCOCCN1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660720179 413512671 /nfs/dbraw/zinc/51/26/71/413512671.db2.gz MGBWCSLYQVDCEM-UHFFFAOYSA-N 0 3 290.411 2.541 20 30 CFEDHN C=CCCn1cc(CNCCCC(C)(C)C)nn1 ZINC000657371651 413513724 /nfs/dbraw/zinc/51/37/24/413513724.db2.gz YFMUFUXCHSETNX-UHFFFAOYSA-N 0 3 250.390 2.770 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000664016556 413517953 /nfs/dbraw/zinc/51/79/53/413517953.db2.gz OUHHZTMOQMXOHC-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCn1cc(CNCC2C(C)(C)C2(C)C)nn1 ZINC000657457228 413631190 /nfs/dbraw/zinc/63/11/90/413631190.db2.gz IECBMZNHMMQRAP-UHFFFAOYSA-N 0 3 262.401 2.626 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000651782757 413634871 /nfs/dbraw/zinc/63/48/71/413634871.db2.gz DFNHEFYQPCZNOL-RYUDHWBXSA-N 0 3 299.461 2.986 20 30 CFEDHN C=CCCn1cc(CN[C@H](CC)C2CCCC2)nn1 ZINC000657485656 413674205 /nfs/dbraw/zinc/67/42/05/413674205.db2.gz OZHAPGILHXBCQT-OAHLLOKOSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](C)CC(F)(F)F)nn1 ZINC000657493099 413681983 /nfs/dbraw/zinc/68/19/83/413681983.db2.gz XFICNZYIOTXNSU-JTQLQIEISA-N 0 3 276.306 2.532 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccnc(OC)n1 ZINC000657530226 413712938 /nfs/dbraw/zinc/71/29/38/413712938.db2.gz NRPMSXYWCJDHBH-TZMCWYRMSA-N 0 3 261.369 2.710 20 30 CFEDHN COC[C@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285477097 196297108 /nfs/dbraw/zinc/29/71/08/196297108.db2.gz LDJZFYOQVGJWEX-LBPRGKRZSA-N 0 3 292.354 2.575 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654311741 413802211 /nfs/dbraw/zinc/80/22/11/413802211.db2.gz LDORJKFIEBWYOF-HOTGVXAUSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000664407149 413750913 /nfs/dbraw/zinc/75/09/13/413750913.db2.gz GIUYYUOMMNITBQ-CQSZACIVSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1ccc(OC)nn1 ZINC000661114142 413765493 /nfs/dbraw/zinc/76/54/93/413765493.db2.gz DYYJZFJZRLZCFR-GXTWGEPZSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)[N-]c1cc(C)no1 ZINC000661117603 413770201 /nfs/dbraw/zinc/77/02/01/413770201.db2.gz SJNFREDIUSQCRL-QWHCGFSZSA-N 0 3 277.368 2.646 20 30 CFEDHN C=CCCCC[C@H](C)NCc1cc(=O)n2ccccc2n1 ZINC000652042749 413790295 /nfs/dbraw/zinc/79/02/95/413790295.db2.gz VDVQZUGNZGNADR-AWEZNQCLSA-N 0 3 285.391 2.919 20 30 CFEDHN C=C[C@H](CO)Nc1cc(C)nc2ccc(OC(F)F)cc21 ZINC000664605546 413862468 /nfs/dbraw/zinc/86/24/68/413862468.db2.gz FVBJQXAOIDOOFK-SNVBAGLBSA-N 0 3 294.301 2.525 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000654451631 413868600 /nfs/dbraw/zinc/86/86/00/413868600.db2.gz CZKAGXLCVKUNQB-OAHLLOKOSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCC1(NCc2cn(C3CCC3)nn2)CCCC1 ZINC000657703131 413870728 /nfs/dbraw/zinc/87/07/28/413870728.db2.gz UOEHQIHWNVLINT-UHFFFAOYSA-N 0 3 260.385 2.982 20 30 CFEDHN C=CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000661194192 413816732 /nfs/dbraw/zinc/81/67/32/413816732.db2.gz WUGYFIANJJHWKQ-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCN1CC[C@H](N2CCc3ccccc3C(C)(C)C2)C1=O ZINC000661212343 413824042 /nfs/dbraw/zinc/82/40/42/413824042.db2.gz APFDCDJWUPOGLG-KRWDZBQOSA-N 0 3 298.430 2.609 20 30 CFEDHN C=CCOCCCNCc1cnc(-c2ccccc2)nc1 ZINC000657658025 413825686 /nfs/dbraw/zinc/82/56/86/413825686.db2.gz JDBQRWAYDPYWAS-UHFFFAOYSA-N 0 3 283.375 2.826 20 30 CFEDHN C=CCOCCCNCc1cc(OC)c(OC)cc1F ZINC000657659260 413826154 /nfs/dbraw/zinc/82/61/54/413826154.db2.gz UNNYHXRJWXJNGF-UHFFFAOYSA-N 0 3 283.343 2.525 20 30 CFEDHN C=CCN(CCc1ccc2c(c1)CCO2)[C@@H](C)COC ZINC000661241773 413844768 /nfs/dbraw/zinc/84/47/68/413844768.db2.gz BHQUEROMFSBULK-AWEZNQCLSA-N 0 3 275.392 2.687 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)[C@@H](C)COC ZINC000661243075 413845483 /nfs/dbraw/zinc/84/54/83/413845483.db2.gz XQIKZNCNFQGBRP-ZDUSSCGKSA-N 0 3 294.370 2.677 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 ZINC000661377976 413936278 /nfs/dbraw/zinc/93/62/78/413936278.db2.gz YCFVERZTMIJMKD-OAHLLOKOSA-N 0 3 284.403 2.864 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1 ZINC000661377224 413937042 /nfs/dbraw/zinc/93/70/42/413937042.db2.gz LDPZNMDFOQEMPM-MRXNPFEDSA-N 0 3 298.430 2.859 20 30 CFEDHN C=CC[C@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000661379214 413937811 /nfs/dbraw/zinc/93/78/11/413937811.db2.gz VUZJZWUHOLVITM-NSHDSACASA-N 0 3 251.292 2.853 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)CCC)C1 ZINC000661379230 413938902 /nfs/dbraw/zinc/93/89/02/413938902.db2.gz VYDIJGKKFDRDFO-SOUVJXGZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000661380844 413945313 /nfs/dbraw/zinc/94/53/13/413945313.db2.gz QLHHWHFQNFQPFO-OAHLLOKOSA-N 0 3 290.382 2.730 20 30 CFEDHN C=CCCCCCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000654667152 413953167 /nfs/dbraw/zinc/95/31/67/413953167.db2.gz YLHCJRGUPIBOTN-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@H](O)C2)cc1Cl ZINC000657809226 413958635 /nfs/dbraw/zinc/95/86/35/413958635.db2.gz FZQNUAZFUFXAEX-HAQNSBGRSA-N 0 3 267.756 2.518 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000661419766 413964626 /nfs/dbraw/zinc/96/46/26/413964626.db2.gz QJFUQXXNBNDJQO-PMPSAXMXSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654729934 413981358 /nfs/dbraw/zinc/98/13/58/413981358.db2.gz YENAYYKWUSFWIQ-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000661446181 413989018 /nfs/dbraw/zinc/98/90/18/413989018.db2.gz RDJVKVDQWKQQTF-RHSMWYFYSA-N 0 3 275.367 2.660 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnnn1CCCC ZINC000657884921 414028525 /nfs/dbraw/zinc/02/85/25/414028525.db2.gz FXBUYOSNUKQKFC-KGLIPLIRSA-N 0 3 277.416 2.698 20 30 CFEDHN C[C@@H](NC[C@H](O)c1ccccc1)c1cccc(C#N)c1 ZINC000037257510 173068735 /nfs/dbraw/zinc/06/87/35/173068735.db2.gz JDYBPJMZOCACTN-DYVFJYSZSA-N 0 3 266.344 2.942 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](C2CCCCC2)C1 ZINC000661582437 414067012 /nfs/dbraw/zinc/06/70/12/414067012.db2.gz DAOMGSJSCIZDHP-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc2cnccc2o1 ZINC000658031469 414115502 /nfs/dbraw/zinc/11/55/02/414115502.db2.gz GFBPNHRSQRLCTB-AAEUAGOBSA-N 0 3 260.337 2.806 20 30 CFEDHN C=CCN(CC(=O)N(C)Cc1ccco1)C(C)(C)C ZINC000661754735 414194418 /nfs/dbraw/zinc/19/44/18/414194418.db2.gz CNTCLSYFGPBKFI-UHFFFAOYSA-N 0 3 264.369 2.525 20 30 CFEDHN C=CCN(CC(=O)NCc1ccccc1)C(C)(C)C ZINC000661755500 414195489 /nfs/dbraw/zinc/19/54/89/414195489.db2.gz SBOHHQPVPIPYOF-UHFFFAOYSA-N 0 3 260.381 2.589 20 30 CFEDHN C=CCC[C@H](C)N[C@H]1Cc2ccccc2N(C)C1=O ZINC000658105289 414201225 /nfs/dbraw/zinc/20/12/25/414201225.db2.gz GJPGNEYCHFMFFM-JSGCOSHPSA-N 0 3 258.365 2.518 20 30 CFEDHN C=CCC[C@@H](C)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000658105292 414201699 /nfs/dbraw/zinc/20/16/99/414201699.db2.gz GJPGNEYCHFMFFM-TZMCWYRMSA-N 0 3 258.365 2.518 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000665389968 414317562 /nfs/dbraw/zinc/31/75/62/414317562.db2.gz SZLQXWZKBLPLNL-GDBMZVCRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000658209962 414285570 /nfs/dbraw/zinc/28/55/70/414285570.db2.gz LVKKMEJNMUIVNZ-CYBMUJFWSA-N 0 3 288.395 2.589 20 30 CFEDHN C=CCCn1cc(COc2cc(C)nc(C)c2C)nn1 ZINC000655677591 414356495 /nfs/dbraw/zinc/35/64/95/414356495.db2.gz LJKNFZUOTXRAJL-UHFFFAOYSA-N 0 3 272.352 2.753 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2ccc(SC)cc21 ZINC000658334479 414384266 /nfs/dbraw/zinc/38/42/66/414384266.db2.gz KGRFQFGUDLXHDN-DOMZBBRYSA-N 0 3 263.406 2.922 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655778539 414430464 /nfs/dbraw/zinc/43/04/64/414430464.db2.gz OUXALUPEEWULPI-MSOLQXFVSA-N 0 3 297.402 2.922 20 30 CFEDHN N#CC(C(=O)c1ccc(C2CC2)cc1)c1ccncn1 ZINC000659114506 414441036 /nfs/dbraw/zinc/44/10/36/414441036.db2.gz DXVKAEHJHZPTGB-CQSZACIVSA-N 0 3 263.300 2.844 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000662079482 414398364 /nfs/dbraw/zinc/39/83/64/414398364.db2.gz GMJWKQPJQPWVEE-LVQVYYBASA-N 0 3 276.424 2.864 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCC(C)(C)C ZINC000662083331 414402093 /nfs/dbraw/zinc/40/20/93/414402093.db2.gz CYKANMOMSQEHGR-OKILXGFUSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCc1nc(C(C)=O)c(C)[nH]1 ZINC000662087889 414402597 /nfs/dbraw/zinc/40/25/97/414402597.db2.gz OGHRRWSTKULNQM-OKILXGFUSA-N 0 3 273.380 2.646 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CCc1nc(C)c(C(C)=O)[nH]1 ZINC000662087889 414402601 /nfs/dbraw/zinc/40/26/01/414402601.db2.gz OGHRRWSTKULNQM-OKILXGFUSA-N 0 3 273.380 2.646 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659271729 414484978 /nfs/dbraw/zinc/48/49/78/414484978.db2.gz CLFPDDGLVMBPRK-UHFFFAOYSA-N 0 3 290.432 2.924 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H]1CC1(C)C ZINC000662348033 414517558 /nfs/dbraw/zinc/51/75/58/414517558.db2.gz POFVZYWAYUGIEY-UONOGXRCSA-N 0 3 264.413 2.553 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000662878717 414627568 /nfs/dbraw/zinc/62/75/68/414627568.db2.gz ZNFAIEONLZUSOH-XJKSGUPXSA-N 0 3 288.391 2.888 20 30 CFEDHN C=CCOc1ccccc1CN(C[C@@H](C)O)C1CC1 ZINC000656280812 414562351 /nfs/dbraw/zinc/56/23/51/414562351.db2.gz LDYDYBPJWYLXSI-CYBMUJFWSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCCC(C)(C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000662953465 414637626 /nfs/dbraw/zinc/63/76/26/414637626.db2.gz NXRNZNVCUHZUAI-OAHLLOKOSA-N 0 3 272.392 2.734 20 30 CFEDHN C=CCC1(NC(=O)c2cccc3c2CCNC3)CCCC1 ZINC000662889298 414628914 /nfs/dbraw/zinc/62/89/14/414628914.db2.gz WAADPQCXVJUDQH-UHFFFAOYSA-N 0 3 284.403 2.951 20 30 CFEDHN Cc1cc(C)c(C#N)c(NCCN2CCCCCC2)n1 ZINC000040768084 174398868 /nfs/dbraw/zinc/39/88/68/174398868.db2.gz BBFXNWLKOAJQGT-UHFFFAOYSA-N 0 3 272.396 2.858 20 30 CFEDHN CN(C)Cc1cccc(CNC(=O)c2ccc(C#N)cc2)c1 ZINC000043976929 175133384 /nfs/dbraw/zinc/13/33/84/175133384.db2.gz WEAUVBHWRPJDRG-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H](C)CN2CCCCC2)n1 ZINC000044419594 175173859 /nfs/dbraw/zinc/17/38/59/175173859.db2.gz PTGROONIOYZWFK-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171587843 335072053 /nfs/dbraw/zinc/07/20/53/335072053.db2.gz UYSAKAHCYWFGHS-GFCCVEGCSA-N 0 3 268.401 2.798 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000076801850 177099403 /nfs/dbraw/zinc/09/94/03/177099403.db2.gz PPKRBIWBEKIJDX-CQSZACIVSA-N 0 3 290.407 2.770 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(C#N)cc1 ZINC000078694025 177372511 /nfs/dbraw/zinc/37/25/11/177372511.db2.gz UOZZGSJJHVDDFY-MRXNPFEDSA-N 0 3 285.391 2.553 20 30 CFEDHN Cc1ccc([C@@]2(C)CCN(C(=O)C(C)C#N)C2)cc1 ZINC000334590737 225025743 /nfs/dbraw/zinc/02/57/43/225025743.db2.gz FPMPOCMLGHMDFF-BBRMVZONSA-N 0 3 256.349 2.645 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000334764051 225312617 /nfs/dbraw/zinc/31/26/17/225312617.db2.gz RFOONXZDCWCKLJ-RNCFNFMXSA-N 0 3 264.275 2.788 20 30 CFEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345038779 225260498 /nfs/dbraw/zinc/26/04/98/225260498.db2.gz VANDNWMJMPHEIE-LSDHHAIUSA-N 0 3 299.418 2.905 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Cl)cc1Cl ZINC000334832875 225327070 /nfs/dbraw/zinc/32/70/70/225327070.db2.gz XBERZKUGYQHYQR-SSDOTTSWSA-N 0 3 257.120 2.769 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000347084654 226042560 /nfs/dbraw/zinc/04/25/60/226042560.db2.gz ZKPXUEHVIOGUJZ-UKRRQHHQSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000347109615 226053466 /nfs/dbraw/zinc/05/34/66/226053466.db2.gz QBGCRNADSPHGGY-SNVBAGLBSA-N 0 3 262.740 2.647 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000335839577 226910794 /nfs/dbraw/zinc/91/07/94/226910794.db2.gz QOCZTLWHMASVMR-JSGCOSHPSA-N 0 3 255.365 2.742 20 30 CFEDHN O=C(CCc1nc2ccccc2o1)N[C@H]1CCN(C2CC2)C1 ZINC000329209707 227354483 /nfs/dbraw/zinc/35/44/83/227354483.db2.gz YNVUNFYTFTVLJA-LBPRGKRZSA-N 0 3 299.374 2.954 20 30 CFEDHN O=C(NCC1(CO)CCCC1)[C@H]1CCCN1C1CCCC1 ZINC000329985532 228006912 /nfs/dbraw/zinc/00/69/12/228006912.db2.gz DKELPLRPYYPFGT-OAHLLOKOSA-N 0 3 294.439 2.903 20 30 CFEDHN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@H]1CCCN1C1CC1 ZINC000330262378 228084587 /nfs/dbraw/zinc/08/45/87/228084587.db2.gz UXLMVANNGSHQHL-OAHLLOKOSA-N 0 3 297.362 2.687 20 30 CFEDHN C#CCN(CCn1ccnc1)[C@@H]1CCc2ccccc21 ZINC000179453351 260048483 /nfs/dbraw/zinc/04/84/83/260048483.db2.gz OZKBUNVVOCTFMK-QGZVFWFLSA-N 0 3 265.360 2.506 20 30 CFEDHN C=C(C)[C@@H](NC[C@@H](O)COC(C)C)c1ccc(F)c(F)c1 ZINC000187781164 260058841 /nfs/dbraw/zinc/05/88/41/260058841.db2.gz RAQZEEMOWGUQNK-CZUORRHYSA-N 0 3 299.361 2.958 20 30 CFEDHN C#CCN(Cc1cnn2ccccc12)C1CCCC1 ZINC000180103407 260093393 /nfs/dbraw/zinc/09/33/93/260093393.db2.gz DXQQVQDXERAPKE-UHFFFAOYSA-N 0 3 253.349 2.712 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297514142 260128546 /nfs/dbraw/zinc/12/85/46/260128546.db2.gz MNCPOYNTCUGOPI-CVEARBPZSA-N 0 3 272.392 2.557 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407989244 260153095 /nfs/dbraw/zinc/15/30/95/260153095.db2.gz IZHMDEMNYBPDKB-OFQRWUPVSA-N 0 3 291.439 2.551 20 30 CFEDHN C[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000073766796 260164781 /nfs/dbraw/zinc/16/47/81/260164781.db2.gz AWIBTQSAYIFQTO-BFYDXBDKSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000079555282 260176354 /nfs/dbraw/zinc/17/63/54/260176354.db2.gz PVPVGLVOAQYDAO-HOCLYGCPSA-N 0 3 299.418 2.705 20 30 CFEDHN C=C(CC)CN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000313505582 260299697 /nfs/dbraw/zinc/29/96/97/260299697.db2.gz YGMSAINLCUDRAE-GFCCVEGCSA-N 0 3 258.369 2.963 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000090451025 260359378 /nfs/dbraw/zinc/35/93/78/260359378.db2.gz CDYGIQNTLJKUAX-ZDUSSCGKSA-N 0 3 276.380 2.888 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CNC1(c2ccccc2)CCC1 ZINC000104664492 260623401 /nfs/dbraw/zinc/62/34/01/260623401.db2.gz UDXUFCNUCVROKQ-OAHLLOKOSA-N 0 3 299.418 2.664 20 30 CFEDHN N#CCCN(C(=O)CN1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000153148123 261074166 /nfs/dbraw/zinc/07/41/66/261074166.db2.gz MFRSIKHSNKFTAU-IYBDPMFKSA-N 0 3 297.402 2.665 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000104066429 261290150 /nfs/dbraw/zinc/29/01/50/261290150.db2.gz UHWJODNCECDTJU-QGZVFWFLSA-N 0 3 288.435 2.785 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)C1(C)CC1 ZINC000177215326 261340298 /nfs/dbraw/zinc/34/02/98/261340298.db2.gz XLFSKPYFHLDMGB-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H]2CCCC[C@@H]2C1 ZINC000177576615 261363378 /nfs/dbraw/zinc/36/33/78/261363378.db2.gz QKSXXWICMOPXRZ-HUUCEWRRSA-N 0 3 264.413 2.533 20 30 CFEDHN C#C[C@@H](C)N(C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000491253896 261390645 /nfs/dbraw/zinc/39/06/45/261390645.db2.gz PXEXBYJXUUNIOL-CQSZACIVSA-N 0 3 284.403 2.765 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000116907940 262190414 /nfs/dbraw/zinc/19/04/14/262190414.db2.gz WNIPRYZNWGODQF-IUODEOHRSA-N 0 3 258.365 2.561 20 30 CFEDHN CC(=O)Nc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000192628693 262206665 /nfs/dbraw/zinc/20/66/65/262206665.db2.gz VLJSUYDOALAVHU-GOEBONIOSA-N 0 3 271.364 2.817 20 30 CFEDHN Cc1cccc([C@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000193027523 262214449 /nfs/dbraw/zinc/21/44/49/262214449.db2.gz PUDJQXCQZYNJJI-CWRNSKLLSA-N 0 3 258.365 2.700 20 30 CFEDHN N#CCSCCCN1CCC[C@H](OCC2CC2)C1 ZINC000364436449 262239486 /nfs/dbraw/zinc/23/94/86/262239486.db2.gz YDJLZXYWWONFLS-AWEZNQCLSA-N 0 3 268.426 2.524 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000111256471 262258144 /nfs/dbraw/zinc/25/81/44/262258144.db2.gz DKANDACFMLJIGC-CYBMUJFWSA-N 0 3 290.382 2.728 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000111257258 262258486 /nfs/dbraw/zinc/25/84/86/262258486.db2.gz LOGVQZFIYJOVHI-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CC1CCN(CCOc2ccccc2C#N)CC1 ZINC000111256301 262258538 /nfs/dbraw/zinc/25/85/38/262258538.db2.gz DUPIGEDATPRBFX-UHFFFAOYSA-N 0 3 256.349 2.835 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(Br)cs1 ZINC000184264244 262275031 /nfs/dbraw/zinc/27/50/31/262275031.db2.gz AZOXWCHDGMFUBS-VIFPVBQESA-N 0 3 276.199 2.537 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1CCCC[C@@H]1CC ZINC000188401542 262293480 /nfs/dbraw/zinc/29/34/80/262293480.db2.gz LTZGIUYAGVJHSY-GOEBONIOSA-N 0 3 266.429 2.969 20 30 CFEDHN C#CCSCCN[C@H](C)c1sccc1OC ZINC000186216743 262312298 /nfs/dbraw/zinc/31/22/98/262312298.db2.gz YEVOLCAJZOWMPY-SNVBAGLBSA-N 0 3 255.408 2.774 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000186686383 262320603 /nfs/dbraw/zinc/32/06/03/262320603.db2.gz ACPHGWOZYQXTFB-GHMZBOCLSA-N 0 3 271.307 2.876 20 30 CFEDHN C=CC[C@H](CO)N[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186710974 262320885 /nfs/dbraw/zinc/32/08/85/262320885.db2.gz OUQQSJRANCBNEU-UKRRQHHQSA-N 0 3 278.352 2.963 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)CC1(CO)CC1 ZINC000186777277 262323946 /nfs/dbraw/zinc/32/39/46/262323946.db2.gz KWLZCGSIJXPGNX-UHFFFAOYSA-N 0 3 272.392 2.692 20 30 CFEDHN C#CCCCC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000365222508 262352177 /nfs/dbraw/zinc/35/21/77/262352177.db2.gz KPWWPYOTKCTKIF-UHFFFAOYSA-N 0 3 298.430 2.879 20 30 CFEDHN C=CCN1CC[C@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000365226316 262352651 /nfs/dbraw/zinc/35/26/51/262352651.db2.gz IEQBCVFAJMRWQV-CZUORRHYSA-N 0 3 280.412 2.942 20 30 CFEDHN C=CC1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000111838601 262377066 /nfs/dbraw/zinc/37/70/66/262377066.db2.gz FHCYEOKBJIQRRJ-LSDHHAIUSA-N 0 3 293.455 2.714 20 30 CFEDHN CN(C(=O)CN1CCCC12CCC2)C1(C#N)CCCCC1 ZINC000365633732 262377076 /nfs/dbraw/zinc/37/70/76/262377076.db2.gz WBFZHTFSMZKNBP-UHFFFAOYSA-N 0 3 289.423 2.690 20 30 CFEDHN C=C(C)CN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000339358906 262632487 /nfs/dbraw/zinc/63/24/87/262632487.db2.gz NDJFLGPVQBJARA-HNNXBMFYSA-N 0 3 256.349 2.793 20 30 CFEDHN CC(C)OCCOC1CCN([C@H](C)CCC#N)CC1 ZINC000411807276 262706929 /nfs/dbraw/zinc/70/69/29/262706929.db2.gz JXPHSPUCOJBRKW-CQSZACIVSA-N 0 3 268.401 2.585 20 30 CFEDHN CC(C)(C#N)CCN(CCO)[C@@H]1CCc2ccccc21 ZINC000271999005 263001259 /nfs/dbraw/zinc/00/12/59/263001259.db2.gz GXURQXKVJSKPTF-MRXNPFEDSA-N 0 3 272.392 2.908 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C(=O)OCC)co1 ZINC000437251362 263007739 /nfs/dbraw/zinc/00/77/39/263007739.db2.gz ZVUJKWSDSZKENV-SWLSCSKDSA-N 0 3 293.363 2.527 20 30 CFEDHN CC1(C#N)CCN(C[C@@H](O)CCc2ccccc2)CC1 ZINC000273241154 263014145 /nfs/dbraw/zinc/01/41/45/263014145.db2.gz FVSNFBLLYMNNPM-INIZCTEOSA-N 0 3 272.392 2.606 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N(C)CC2CCN(C)CC2)c1 ZINC000273234299 263014189 /nfs/dbraw/zinc/01/41/89/263014189.db2.gz SBHAJRFNZALOGY-UHFFFAOYSA-N 0 3 285.391 2.539 20 30 CFEDHN COc1ccc2c(c1)[C@H](NCCCC#N)CCCO2 ZINC000273252513 263014490 /nfs/dbraw/zinc/01/44/90/263014490.db2.gz LHKQCZPVIHZJKM-CQSZACIVSA-N 0 3 260.337 2.802 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000274596641 263027122 /nfs/dbraw/zinc/02/71/22/263027122.db2.gz GRQYDRBEPLHGRS-GMXVVIOVSA-N 0 3 259.309 2.938 20 30 CFEDHN C[C@H](CCC#N)N1CCN(CCc2ccccc2)CC1 ZINC000276276671 263035560 /nfs/dbraw/zinc/03/55/60/263035560.db2.gz FBCODEXWXQDCLM-MRXNPFEDSA-N 0 3 271.408 2.539 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@H](O)c1cccc(F)c1 ZINC000278377319 263047481 /nfs/dbraw/zinc/04/74/81/263047481.db2.gz CUUMYIKIOMOTSD-RKLWJJNISA-N 0 3 276.355 2.920 20 30 CFEDHN C=C(C)CN(CCC(=O)N(C)CCC#N)Cc1ccccc1 ZINC000279249625 263054042 /nfs/dbraw/zinc/05/40/42/263054042.db2.gz GZPJIZWBODKFAV-UHFFFAOYSA-N 0 3 299.418 2.827 20 30 CFEDHN CCC[C@@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261049 263054119 /nfs/dbraw/zinc/05/41/19/263054119.db2.gz IDPJQVSFOVTYGC-JKSUJKDBSA-N 0 3 283.375 2.935 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000279354031 263054787 /nfs/dbraw/zinc/05/47/87/263054787.db2.gz QOLNDHUGFDOJPZ-DLBZAZTESA-N 0 3 293.370 2.713 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC[C@@H]2CC=CCC2)cc1 ZINC000279354033 263054858 /nfs/dbraw/zinc/05/48/58/263054858.db2.gz QOLNDHUGFDOJPZ-IAGOWNOFSA-N 0 3 293.370 2.713 20 30 CFEDHN CCC[C@@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279698903 263056895 /nfs/dbraw/zinc/05/68/95/263056895.db2.gz JCUDLGORZZTLJC-CZUORRHYSA-N 0 3 283.375 2.888 20 30 CFEDHN C=C(C)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279772533 263057310 /nfs/dbraw/zinc/05/73/10/263057310.db2.gz SVHFNYOPEMRJPP-INIZCTEOSA-N 0 3 281.359 2.665 20 30 CFEDHN C[C@@H]1CC[C@H](C)N(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280228278 263059829 /nfs/dbraw/zinc/05/98/29/263059829.db2.gz AXMNSXISAFNFOR-KEYYUXOJSA-N 0 3 295.386 2.888 20 30 CFEDHN C[C@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280375631 263060832 /nfs/dbraw/zinc/06/08/32/263060832.db2.gz JPWWJBUIXSAQRA-KBRIMQKVSA-N 0 3 295.386 2.935 20 30 CFEDHN COc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1[O-] ZINC000281734069 263071495 /nfs/dbraw/zinc/07/14/95/263071495.db2.gz PXROJHWDPCDBDA-UHFFFAOYSA-N 0 3 274.364 2.820 20 30 CFEDHN N#CCCCCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000282614001 263077825 /nfs/dbraw/zinc/07/78/25/263077825.db2.gz XHXYJRXCKDYISN-KRWDZBQOSA-N 0 3 295.386 2.873 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000340150600 263078605 /nfs/dbraw/zinc/07/86/05/263078605.db2.gz ZEASDJLSBUOCIW-HOTGVXAUSA-N 0 3 286.419 2.899 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(CC#N)cc1 ZINC000340160453 263081413 /nfs/dbraw/zinc/08/14/13/263081413.db2.gz CQSBBOUMCGPGKO-GASCZTMLSA-N 0 3 299.418 2.745 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104704623 263081658 /nfs/dbraw/zinc/08/16/58/263081658.db2.gz CPYOMMPPVNHOOH-BLLLJJGKSA-N 0 3 290.382 2.947 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000285763096 263095663 /nfs/dbraw/zinc/09/56/63/263095663.db2.gz MQFNCGDPWUPZRZ-INIZCTEOSA-N 0 3 273.380 2.935 20 30 CFEDHN COc1ccc([C@H](C)NCCCC#N)c(C)c1OC ZINC000285942539 263096459 /nfs/dbraw/zinc/09/64/59/263096459.db2.gz DNJQHRSBMQIWJV-LBPRGKRZSA-N 0 3 262.353 2.967 20 30 CFEDHN N#CCCCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000286961831 263100298 /nfs/dbraw/zinc/10/02/98/263100298.db2.gz NHHDOSGWFLHNQO-CYBMUJFWSA-N 0 3 252.745 2.657 20 30 CFEDHN COCCN(CCCC(C)(C)C#N)Cc1ccccn1 ZINC000287443859 263101998 /nfs/dbraw/zinc/10/19/98/263101998.db2.gz QHHSERHWNBPGJC-UHFFFAOYSA-N 0 3 275.396 2.860 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@@H](OCc2ccncc2)C1 ZINC000287750614 263102577 /nfs/dbraw/zinc/10/25/77/263102577.db2.gz LPXCZNJWXQAFKZ-OAHLLOKOSA-N 0 3 273.380 2.612 20 30 CFEDHN COc1cc([C@@H](C)NCCCCC#N)c(F)cn1 ZINC000287813888 263102751 /nfs/dbraw/zinc/10/27/51/263102751.db2.gz UVLZBRFASYBXIM-SNVBAGLBSA-N 0 3 251.305 2.574 20 30 CFEDHN C#C[C@@H](NCc1ccc(N(C)CCC#N)cc1)C(C)C ZINC000289321788 263108962 /nfs/dbraw/zinc/10/89/62/263108962.db2.gz FUHNZPJIVUJZQT-QGZVFWFLSA-N 0 3 269.392 2.784 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(N2CCCNC2=O)cc1 ZINC000291123118 263120362 /nfs/dbraw/zinc/12/03/62/263120362.db2.gz BBLDUZQKNHSBRV-ZDUSSCGKSA-N 0 3 286.379 2.561 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCC#N ZINC000292120314 263128706 /nfs/dbraw/zinc/12/87/06/263128706.db2.gz NAVWXWIGHWYOFP-RDJZCZTQSA-N 0 3 299.418 2.707 20 30 CFEDHN CC1(C)C[C@@]1(C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000292486100 263132787 /nfs/dbraw/zinc/13/27/87/263132787.db2.gz NWGBYBCXLRUHNI-SFHVURJKSA-N 0 3 297.402 2.704 20 30 CFEDHN N#CCCCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000292862971 263135809 /nfs/dbraw/zinc/13/58/09/263135809.db2.gz WMGXMMIYQPBEHX-OAHLLOKOSA-N 0 3 258.365 2.784 20 30 CFEDHN CN(C)c1ccccc1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000293494183 263141796 /nfs/dbraw/zinc/14/17/96/263141796.db2.gz GUBMZKCNUYHARW-ZFWWWQNUSA-N 0 3 257.381 2.877 20 30 CFEDHN CN(CCc1nc(-c2ccccc2)no1)[C@H]1CC[C@H](C#N)C1 ZINC000293567721 263143452 /nfs/dbraw/zinc/14/34/52/263143452.db2.gz MTWZEQYQXJJINU-ZFWWWQNUSA-N 0 3 296.374 2.903 20 30 CFEDHN COc1cccc([C@H]2CCCN2CCOCCC#N)c1 ZINC000293638265 263145651 /nfs/dbraw/zinc/14/56/51/263145651.db2.gz XIPFBZLSHGLSOH-MRXNPFEDSA-N 0 3 274.364 2.762 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NCCOCCC#N ZINC000293747039 263148579 /nfs/dbraw/zinc/14/85/79/263148579.db2.gz IIMBJRLWIXNIOE-CYBMUJFWSA-N 0 3 262.353 2.585 20 30 CFEDHN C=CC(C)(C)CNC(=O)c1ccccc1OCCN(C)C ZINC000452779806 263148758 /nfs/dbraw/zinc/14/87/58/263148758.db2.gz VKIHYCPQOJMYCJ-UHFFFAOYSA-N 0 3 290.407 2.569 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]2CF)cc1 ZINC000294120407 263156282 /nfs/dbraw/zinc/15/62/82/263156282.db2.gz TXGYAKMNVDMGOW-INIZCTEOSA-N 0 3 275.371 2.970 20 30 CFEDHN CSc1ccccc1[C@@H](C)NCCOCCC#N ZINC000294159791 263156749 /nfs/dbraw/zinc/15/67/49/263156749.db2.gz PGRHBQHGIQOKDQ-GFCCVEGCSA-N 0 3 264.394 2.989 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(SCC)cc1 ZINC000353562324 263163416 /nfs/dbraw/zinc/16/34/16/263163416.db2.gz BLWOKZNANQNMKY-WCQYABFASA-N 0 3 251.395 2.996 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1cccc(C2CC2)c1 ZINC000295340620 263176358 /nfs/dbraw/zinc/17/63/58/263176358.db2.gz HZXJUGHMJTZTKE-CQSZACIVSA-N 0 3 299.418 2.977 20 30 CFEDHN N#CCCCNCc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000295379445 263176813 /nfs/dbraw/zinc/17/68/13/263176813.db2.gz KIOGMXXCAZBETF-UHFFFAOYSA-N 0 3 297.358 2.765 20 30 CFEDHN Cc1nc2scc(C3CC3)n2c1CNCCCC#N ZINC000297816606 263210130 /nfs/dbraw/zinc/21/01/30/263210130.db2.gz YORIMWUSHPOVIH-UHFFFAOYSA-N 0 3 274.393 2.975 20 30 CFEDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 ZINC000298394416 263218924 /nfs/dbraw/zinc/21/89/24/263218924.db2.gz DUEJDRBNOBUZGB-CHWSQXEVSA-N 0 3 294.420 2.823 20 30 CFEDHN C[C@H](C#N)CN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000299285938 263237358 /nfs/dbraw/zinc/23/73/58/263237358.db2.gz FVTRAMZTJGYALG-CQSZACIVSA-N 0 3 285.391 2.514 20 30 CFEDHN C[C@@H](C#N)CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299279521 263237493 /nfs/dbraw/zinc/23/74/93/263237493.db2.gz YQHIARNSAGKHOX-HNNXBMFYSA-N 0 3 299.418 2.904 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000453366494 263253293 /nfs/dbraw/zinc/25/32/93/263253293.db2.gz RXXQWDBLBGRROR-OCCSQVGLSA-N 0 3 279.428 2.924 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1cc(OC)c(OC)cc1C ZINC000121330187 263291017 /nfs/dbraw/zinc/29/10/17/263291017.db2.gz MGJKFPYRKYPBII-OAHLLOKOSA-N 0 3 293.407 2.771 20 30 CFEDHN C=CCN(C)C[C@@H](O)c1ccccc1Br ZINC000121172254 263291118 /nfs/dbraw/zinc/29/11/18/263291118.db2.gz AZLFSPWSGWVMDX-GFCCVEGCSA-N 0 3 270.170 2.600 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000340763459 263304987 /nfs/dbraw/zinc/30/49/87/263304987.db2.gz KYDLPXVALBAXAA-OAHLLOKOSA-N 0 3 284.407 2.820 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000340958633 263313650 /nfs/dbraw/zinc/31/36/50/263313650.db2.gz WUKIGRDMBSWNCI-OAHLLOKOSA-N 0 3 284.407 2.820 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000341278673 263329997 /nfs/dbraw/zinc/32/99/97/263329997.db2.gz FYZFYAGEPCVUIK-CQSZACIVSA-N 0 3 292.379 2.992 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc2ccccc2n1CCC ZINC000341276948 263330075 /nfs/dbraw/zinc/33/00/75/263330075.db2.gz QOPINPQPLSTWGW-AWEZNQCLSA-N 0 3 287.407 2.721 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CCC)C1 ZINC000341592259 263343876 /nfs/dbraw/zinc/34/38/76/263343876.db2.gz XPYOMYKSGOIZCF-HNNXBMFYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CC[C@H](CC)NC(=O)c1ccccc1OCCN(C)C ZINC000341636319 263345010 /nfs/dbraw/zinc/34/50/10/263345010.db2.gz KZRUNXYUMDSZDJ-AWEZNQCLSA-N 0 3 290.407 2.712 20 30 CFEDHN C=C(CC)CN[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000341790225 263351740 /nfs/dbraw/zinc/35/17/40/263351740.db2.gz NIQCUYLLLXCKQS-CYBMUJFWSA-N 0 3 296.436 2.554 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(OC)cc1F ZINC000341870135 263360609 /nfs/dbraw/zinc/36/06/09/263360609.db2.gz BCCSVTXWAJXHGA-VXGBXAGGSA-N 0 3 267.344 2.670 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000341870848 263360619 /nfs/dbraw/zinc/36/06/19/263360619.db2.gz BTJSNAQXWQFJFA-RYUDHWBXSA-N 0 3 297.370 2.678 20 30 CFEDHN CC[C@H](C)[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000341911499 263365950 /nfs/dbraw/zinc/36/59/50/263365950.db2.gz VAMGWHOFOLJMRM-XHDPSFHLSA-N 0 3 293.798 2.657 20 30 CFEDHN C=CCN(CCc1ccco1)CCn1cc(C)cn1 ZINC000341909719 263366152 /nfs/dbraw/zinc/36/61/52/263366152.db2.gz IXBCRXXHYGBHDS-UHFFFAOYSA-N 0 3 259.353 2.515 20 30 CFEDHN CN(C)CC1(NC(=O)C[C@@H](CC#N)c2ccccc2)CCC1 ZINC000341957053 263370953 /nfs/dbraw/zinc/37/09/53/263370953.db2.gz HCUBDTRJVXRYNH-MRXNPFEDSA-N 0 3 299.418 2.674 20 30 CFEDHN COCC1(C#N)CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC000341969874 263372853 /nfs/dbraw/zinc/37/28/53/263372853.db2.gz CECSTSJVJJJTCI-MRXNPFEDSA-N 0 3 288.391 2.626 20 30 CFEDHN CC[C@H](C)CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000171948112 335086415 /nfs/dbraw/zinc/08/64/15/335086415.db2.gz KEBMEFSQHNVSQI-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328870738 263885353 /nfs/dbraw/zinc/88/53/53/263885353.db2.gz DFLXREPHUCCMTJ-NFAWXSAZSA-N 0 3 293.411 2.715 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)onc1CC ZINC000330674258 264013570 /nfs/dbraw/zinc/01/35/70/264013570.db2.gz QCYDSDONDKBDGC-LBPRGKRZSA-N 0 3 279.384 2.724 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1CC(C)(C)C ZINC000330729377 264036578 /nfs/dbraw/zinc/03/65/78/264036578.db2.gz OAPPYKNJTSRKCP-YOEHRIQHSA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@H]1CC=CCC1 ZINC000330852001 264068868 /nfs/dbraw/zinc/06/88/68/264068868.db2.gz QLTHDAKVHIAPJI-HLLBOEOZSA-N 0 3 291.439 2.717 20 30 CFEDHN CC(C)Oc1cncc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000331106534 264125734 /nfs/dbraw/zinc/12/57/34/264125734.db2.gz GNZCPUOMISKMNE-TZMCWYRMSA-N 0 3 291.395 2.656 20 30 CFEDHN Cc1nc(C)c(C(=O)NCCN2CCCC(C)(C)C2)o1 ZINC000331282500 264171913 /nfs/dbraw/zinc/17/19/13/264171913.db2.gz DHERAZVKGUYCES-UHFFFAOYSA-N 0 3 279.384 2.718 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000425375691 264204247 /nfs/dbraw/zinc/20/42/47/264204247.db2.gz DFPBPSWOLRLMMW-NEPJUHHUSA-N 0 3 264.344 2.955 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCCOC1 ZINC000160094587 264223741 /nfs/dbraw/zinc/22/37/41/264223741.db2.gz VQEGAQFGMAOMRZ-OAHLLOKOSA-N 0 3 261.340 2.536 20 30 CFEDHN CC[C@@]1(CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000189625270 264311332 /nfs/dbraw/zinc/31/13/32/264311332.db2.gz OUJREWPXQXWKLF-INIZCTEOSA-N 0 3 277.795 2.928 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000075768704 264328092 /nfs/dbraw/zinc/32/80/92/264328092.db2.gz ARPRMFSAGVYRQZ-GJZGRUSLSA-N 0 3 289.423 2.594 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000076734757 264342703 /nfs/dbraw/zinc/34/27/03/264342703.db2.gz ZOSFYCFYTJNPNI-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C=CCOCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000293978154 264991261 /nfs/dbraw/zinc/99/12/61/264991261.db2.gz DNWJLWOMNZVLON-HUUCEWRRSA-N 0 3 281.783 2.962 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000347966450 265139220 /nfs/dbraw/zinc/13/92/20/265139220.db2.gz MXLHPJHBVGFPQQ-VIFPVBQESA-N 0 3 286.253 2.703 20 30 CFEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1cnn(C)c1 ZINC000518978321 265271179 /nfs/dbraw/zinc/27/11/79/265271179.db2.gz LZWWJEIHOLMJBU-INIZCTEOSA-N 0 3 268.364 2.727 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)c(F)c1 ZINC000320950879 266024511 /nfs/dbraw/zinc/02/45/11/266024511.db2.gz GRUXIJBXGCZNTN-NSHDSACASA-N 0 3 257.736 2.896 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000356258826 266082235 /nfs/dbraw/zinc/08/22/35/266082235.db2.gz SPIFFUDTGGEVGW-UKPHBRMFSA-N 0 3 287.407 2.734 20 30 CFEDHN COCC1(C#N)CCN(CC2(SC)CCC2)CC1 ZINC000356285832 266088532 /nfs/dbraw/zinc/08/85/32/266088532.db2.gz WFAFALIKGBDTGB-UHFFFAOYSA-N 0 3 268.426 2.524 20 30 CFEDHN COc1ccc([C@H](NC(=O)C(C)C#N)C(F)(F)F)cc1 ZINC000357055987 266240084 /nfs/dbraw/zinc/24/00/84/266240084.db2.gz WZSZJZABODPMNJ-KWQFWETISA-N 0 3 286.253 2.574 20 30 CFEDHN C=C(C)CNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000357551909 266321180 /nfs/dbraw/zinc/32/11/80/266321180.db2.gz XTOYELVNCVXEKC-OLZOCXBDSA-N 0 3 279.384 2.584 20 30 CFEDHN N#CC(C(=O)c1ccc(OC(F)F)cn1)c1ccccn1 ZINC000357987244 266392877 /nfs/dbraw/zinc/39/28/77/266392877.db2.gz AATIDRCULOFCDD-JTQLQIEISA-N 0 3 289.241 2.568 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000358287077 266448742 /nfs/dbraw/zinc/44/87/42/266448742.db2.gz AFPPAFXLMGVDMJ-NWDGAFQWSA-N 0 3 282.409 2.673 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(c2cccnc2C#N)C1 ZINC000368185106 266572970 /nfs/dbraw/zinc/57/29/70/266572970.db2.gz PYXQSIJNYOPIKX-INIZCTEOSA-N 0 3 292.386 2.664 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000360642695 266731341 /nfs/dbraw/zinc/73/13/41/266731341.db2.gz WFGFEZUVSOLOAC-BNOWGMLFSA-N 0 3 272.348 2.508 20 30 CFEDHN CC(C#N)C(=O)N(C)CCc1cccc(Br)c1 ZINC000361040242 266772779 /nfs/dbraw/zinc/77/27/79/266772779.db2.gz KCIKAMGFAKLNJC-SNVBAGLBSA-N 0 3 295.180 2.610 20 30 CFEDHN Cc1c([C@@H](C)NCCCCC#N)nnn1-c1ccccc1 ZINC000361107857 266784168 /nfs/dbraw/zinc/78/41/68/266784168.db2.gz ISTYNBFSCBPBKN-CYBMUJFWSA-N 0 3 283.379 2.920 20 30 CFEDHN C[C@@H](C(=O)NC(C)(C)C)N(C)CCCC(C)(C)C#N ZINC000362578375 267010366 /nfs/dbraw/zinc/01/03/66/267010366.db2.gz DELQCWXVLHCQKV-LBPRGKRZSA-N 0 3 267.417 2.551 20 30 CFEDHN C=C[C@H](C)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000362632009 267027589 /nfs/dbraw/zinc/02/75/89/267027589.db2.gz WDGXUBKHUQGDSZ-UONOGXRCSA-N 0 3 289.423 2.990 20 30 CFEDHN C[C@@H]1CC[C@H](N(C)C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000362186785 267029222 /nfs/dbraw/zinc/02/92/22/267029222.db2.gz KNLXRFBWHZNWLR-XYPHTWIQSA-N 0 3 295.386 2.888 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000362655021 267030384 /nfs/dbraw/zinc/03/03/84/267030384.db2.gz HTGUBMKMLHLLDN-BBRMVZONSA-N 0 3 289.423 2.725 20 30 CFEDHN CC(C)CN1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000363163108 267077656 /nfs/dbraw/zinc/07/76/56/267077656.db2.gz SPODBHJHZSPAMZ-UHFFFAOYSA-N 0 3 299.418 2.557 20 30 CFEDHN CC#CCCN1CCC(Oc2ccncc2C)CC1 ZINC000368053713 267143163 /nfs/dbraw/zinc/14/31/63/267143163.db2.gz AZZOXUDHOIXCOA-UHFFFAOYSA-N 0 3 258.365 2.647 20 30 CFEDHN C[C@H]1CCOCCN1Cc1cccc(OCCCC#N)c1 ZINC000368130315 267146486 /nfs/dbraw/zinc/14/64/86/267146486.db2.gz ARZLEYPINDNEBJ-HNNXBMFYSA-N 0 3 288.391 2.980 20 30 CFEDHN CC#CCCN1CCC[C@H](c2ccnc(CC)n2)C1 ZINC000368138637 267147484 /nfs/dbraw/zinc/14/74/84/267147484.db2.gz JPAUIKKPOCAABT-AWEZNQCLSA-N 0 3 257.381 2.632 20 30 CFEDHN C[C@H](CNCc1nc(C#N)cs1)CC(F)(F)F ZINC000396937335 267163472 /nfs/dbraw/zinc/16/34/72/267163472.db2.gz ACARSQBFDNJGEV-ZETCQYMHSA-N 0 3 263.288 2.693 20 30 CFEDHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000527975288 267155104 /nfs/dbraw/zinc/15/51/04/267155104.db2.gz UCIVOUBSWWHICY-KMUNFCNLSA-N 0 3 262.328 2.915 20 30 CFEDHN C#Cc1ccc(CN2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000368566463 267186364 /nfs/dbraw/zinc/18/63/64/267186364.db2.gz ISKCXJPOHYIBDP-IAGOWNOFSA-N 0 3 255.361 2.811 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000368637551 267192808 /nfs/dbraw/zinc/19/28/08/267192808.db2.gz KXPAERNZCNGCLQ-HNNXBMFYSA-N 0 3 298.390 2.736 20 30 CFEDHN CCCCCCCN1CCc2nn(CCC)c(=O)cc2C1 ZINC000368657715 267195207 /nfs/dbraw/zinc/19/52/07/267195207.db2.gz HTIPLMOKDPKBKR-UHFFFAOYSA-N 0 3 291.439 2.982 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000116958213 267195240 /nfs/dbraw/zinc/19/52/40/267195240.db2.gz LGGQZKYUOJMQLU-LSDHHAIUSA-N 0 3 289.423 2.771 20 30 CFEDHN N#CC1(CCCN2CCOCC3(CCC3)C2)CCOCC1 ZINC000369055066 267219923 /nfs/dbraw/zinc/21/99/23/267219923.db2.gz NXTRWSHNYBSJIO-UHFFFAOYSA-N 0 3 292.423 2.589 20 30 CFEDHN N#CCSCCCN1CC=C(c2cccnc2)CC1 ZINC000369269235 267230686 /nfs/dbraw/zinc/23/06/86/267230686.db2.gz VXIAGDDLCLWVCE-UHFFFAOYSA-N 0 3 273.405 2.818 20 30 CFEDHN C=CCCCCCN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369295512 267233561 /nfs/dbraw/zinc/23/35/61/267233561.db2.gz WULIHIZJYKXBGU-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN CCCCCCCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000369593894 267251438 /nfs/dbraw/zinc/25/14/38/267251438.db2.gz XCHJXQAYVUUXIC-IAGOWNOFSA-N 0 3 282.472 2.878 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)cc2F)CCO[C@@H]1C1CC1 ZINC000273076440 267263239 /nfs/dbraw/zinc/26/32/39/267263239.db2.gz PMKRILXZTVGOOM-CVEARBPZSA-N 0 3 274.339 2.745 20 30 CFEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000458190835 267276227 /nfs/dbraw/zinc/27/62/27/267276227.db2.gz RJLCJSNDNFRLRR-OAHLLOKOSA-N 0 3 295.386 2.888 20 30 CFEDHN C=CCOc1cccc(CN2CCOC[C@@H](C)C2)c1 ZINC000370183404 267297035 /nfs/dbraw/zinc/29/70/35/267297035.db2.gz KWQJMILVVCYJMD-AWEZNQCLSA-N 0 3 261.365 2.720 20 30 CFEDHN N#Cc1ccc(N2CCC(NCC3(C#N)CCC3)CC2)cc1 ZINC000418143507 267365793 /nfs/dbraw/zinc/36/57/93/267365793.db2.gz PUILEGNKCPVXJK-UHFFFAOYSA-N 0 3 294.402 2.811 20 30 CFEDHN C#CCCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000371205421 267370559 /nfs/dbraw/zinc/37/05/59/267370559.db2.gz RSBTZOVEUHPCGK-MRXNPFEDSA-N 0 3 261.340 2.594 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000120108177 267381300 /nfs/dbraw/zinc/38/13/00/267381300.db2.gz CLZSQSGCCOZGCW-QLFBSQMISA-N 0 3 266.429 2.777 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2ccc(C#N)s2)c1 ZINC000189004497 267470699 /nfs/dbraw/zinc/47/06/99/267470699.db2.gz GLBUVLWRARFPBS-AWEZNQCLSA-N 0 3 286.400 2.621 20 30 CFEDHN N#CCSCCCN1CCC(F)(c2cccnc2)CC1 ZINC000375363992 267853488 /nfs/dbraw/zinc/85/34/88/267853488.db2.gz XCYKMBSCFCKQBC-UHFFFAOYSA-N 0 3 293.411 2.989 20 30 CFEDHN CCCCCCCCN1CCN([C@H]2CCOC2)CC1 ZINC000376805943 268019301 /nfs/dbraw/zinc/01/93/01/268019301.db2.gz YILKBEJCMXAINO-INIZCTEOSA-N 0 3 268.445 2.753 20 30 CFEDHN N#Cc1ccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)cc1 ZINC000528862547 268245556 /nfs/dbraw/zinc/24/55/56/268245556.db2.gz SUVICKGAUCPWCK-INIZCTEOSA-N 0 3 298.390 2.697 20 30 CFEDHN N#Cc1cccc(CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000374629903 268247824 /nfs/dbraw/zinc/24/78/24/268247824.db2.gz JFVKEBKSBVRLAB-QGZVFWFLSA-N 0 3 270.376 2.807 20 30 CFEDHN N#Cc1ccc([C@@H](NC[C@@H]2CC3CCC2CC3)C(N)=O)cc1 ZINC000521625175 268262479 /nfs/dbraw/zinc/26/24/79/268262479.db2.gz IGVOKOMZTODYFB-MPCAOIJTSA-N 0 3 297.402 2.501 20 30 CFEDHN N#Cc1cccc(NC(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000528861908 268279999 /nfs/dbraw/zinc/27/99/99/268279999.db2.gz IUSYPUVPBUQOOD-MRXNPFEDSA-N 0 3 298.390 2.697 20 30 CFEDHN Cc1nnc(NC[C@@H]2CCN2C2CCCCC2)c(C#N)c1C ZINC000528117110 270586507 /nfs/dbraw/zinc/58/65/07/270586507.db2.gz YFLQINUMJKMWMP-HNNXBMFYSA-N 0 3 299.422 2.784 20 30 CFEDHN C[C@@H](O)C[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352827140 274273748 /nfs/dbraw/zinc/27/37/48/274273748.db2.gz XPMRBQQAWVRWNC-NXEZZACHSA-N 0 3 286.297 2.826 20 30 CFEDHN C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H](C)N1C ZINC000135266104 274361428 /nfs/dbraw/zinc/36/14/28/274361428.db2.gz WZOAPAZOCBZFAQ-BETUJISGSA-N 0 3 280.375 2.635 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C#N)CCCCC1 ZINC000335951751 274386436 /nfs/dbraw/zinc/38/64/36/274386436.db2.gz SGWNJUNPGTZNKY-HUUCEWRRSA-N 0 3 289.423 2.546 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@H](NCc2ccco2)C1 ZINC000109078080 274928409 /nfs/dbraw/zinc/92/84/09/274928409.db2.gz YVUBLEYEZQBUDY-HNNXBMFYSA-N 0 3 281.359 2.910 20 30 CFEDHN N#Cc1cnc(N2CC[C@H](N3CCCCC3)C2)c(Cl)c1 ZINC000341107897 274929652 /nfs/dbraw/zinc/92/96/52/274929652.db2.gz SJYHWMARSIGVIZ-ZDUSSCGKSA-N 0 3 290.798 2.671 20 30 CFEDHN C(#Cc1ccccc1)CN1CCCC2(CCOCC2)C1 ZINC000276801797 275388767 /nfs/dbraw/zinc/38/87/67/275388767.db2.gz MPNWUKMAFPTMNU-UHFFFAOYSA-N 0 3 269.388 2.931 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCc2cc(Br)ccc21 ZINC000289758804 275436119 /nfs/dbraw/zinc/43/61/19/275436119.db2.gz LMGSLZXTCXHHNJ-WCQYABFASA-N 0 3 282.181 2.573 20 30 CFEDHN CC(C)(C)NC(=O)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360658479 275515926 /nfs/dbraw/zinc/51/59/26/275515926.db2.gz SZWSGKUKBBTVEP-INIZCTEOSA-N 0 3 299.418 2.830 20 30 CFEDHN CC1(C)OCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000295197268 275881768 /nfs/dbraw/zinc/88/17/68/275881768.db2.gz KGYIHMRTNYDFOX-CQSZACIVSA-N 0 3 263.768 2.849 20 30 CFEDHN CCN(C[C@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355683809 276137476 /nfs/dbraw/zinc/13/74/76/276137476.db2.gz UEPLXGXYQHBGMA-NVXWUHKLSA-N 0 3 271.408 2.742 20 30 CFEDHN CC[C@H](C)CN1CCN(c2ccccc2C#N)CC1 ZINC000088504119 276551759 /nfs/dbraw/zinc/55/17/59/276551759.db2.gz GKAXSDQNRRFWGZ-AWEZNQCLSA-N 0 3 257.381 2.726 20 30 CFEDHN CCc1nc2n(n1)CCC[C@H]2NC1CCC(C)(C#N)CC1 ZINC000331820865 276694472 /nfs/dbraw/zinc/69/44/72/276694472.db2.gz OSGHNPDLPAAYNW-MFOWVQHXSA-N 0 3 287.411 2.737 20 30 CFEDHN CC#CCN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000352073763 276932561 /nfs/dbraw/zinc/93/25/61/276932561.db2.gz IXTJCMUBWWVHCO-GJZGRUSLSA-N 0 3 262.784 2.698 20 30 CFEDHN CN1CCN(Cc2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC000439427834 277109170 /nfs/dbraw/zinc/10/91/70/277109170.db2.gz DQKCPDAGLMDIJF-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN CN1CC[C@H]2CCN(c3cc(C#N)c4ccccc4n3)[C@H]2C1 ZINC000364988430 277178052 /nfs/dbraw/zinc/17/80/52/277178052.db2.gz OAODIZIBHYDTQC-GUYCJALGSA-N 0 3 292.386 2.637 20 30 CFEDHN CN1CC[C@H]2CCN(c3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000364311118 277178101 /nfs/dbraw/zinc/17/81/01/277178101.db2.gz VOWGLMAFYDNVDJ-NHYWBVRUSA-N 0 3 275.783 2.742 20 30 CFEDHN COc1cc(CN2C[C@@H]3CCCCN3C[C@H]2C)ccc1C#N ZINC000318422141 277377511 /nfs/dbraw/zinc/37/75/11/277377511.db2.gz MQBDRJHWDBRNHN-PBHICJAKSA-N 0 3 299.418 2.625 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](CC)[C@H](O)C(F)F)cc1 ZINC000296564383 277695725 /nfs/dbraw/zinc/69/57/25/277695725.db2.gz SLQZSEQIXKVAMS-GLQYFDAESA-N 0 3 297.345 2.754 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288192656 277885627 /nfs/dbraw/zinc/88/56/27/277885627.db2.gz QGXCFUWDXDWMMM-DZKIICNBSA-N 0 3 289.423 2.942 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccccc1SCC ZINC000353565649 277912308 /nfs/dbraw/zinc/91/23/08/277912308.db2.gz BIJWNECDOJLPII-VXGBXAGGSA-N 0 3 251.395 2.996 20 30 CFEDHN CC(C)c1nccn1CCC(=O)NCC1=CCN(C)CC1 ZINC000329178499 278081045 /nfs/dbraw/zinc/08/10/45/278081045.db2.gz CSNIXVNRSXHYAC-UHFFFAOYSA-N 0 3 290.411 2.615 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000172397609 278305823 /nfs/dbraw/zinc/30/58/23/278305823.db2.gz CCHCYHGYCUNGCZ-CJNGLKHVSA-N 0 3 286.375 2.704 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](n2cccn2)C1 ZINC000291772962 278306142 /nfs/dbraw/zinc/30/61/42/278306142.db2.gz LTYAVZARJUBPKU-CJNGLKHVSA-N 0 3 266.348 2.763 20 30 CFEDHN CC[C@H](NCC[C@H](C)[S@@](C)=O)c1ccc(C#N)cc1 ZINC000447588185 288042598 /nfs/dbraw/zinc/04/25/98/288042598.db2.gz SSIYGGBUSTVYGR-VRHCTWJESA-N 0 3 278.421 2.756 20 30 CFEDHN CC[C@H](N[C@H](COC)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000278726796 288085827 /nfs/dbraw/zinc/08/58/27/288085827.db2.gz IWRTVQBYKNUSPU-BBWFWOEESA-N 0 3 288.391 2.793 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)C[C@H](C)C1 ZINC000216058005 279219232 /nfs/dbraw/zinc/21/92/32/279219232.db2.gz SYYBLFZAJOGXPD-QLFBSQMISA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@H](CCC#N)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000351273679 279253150 /nfs/dbraw/zinc/25/31/50/279253150.db2.gz WPZQMYZGURTLFW-GDBMZVCRSA-N 0 3 280.412 2.729 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000047873401 279303773 /nfs/dbraw/zinc/30/37/73/279303773.db2.gz AZAKQUZBOVLCJX-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)N1CCC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000267045295 279506588 /nfs/dbraw/zinc/50/65/88/279506588.db2.gz DHFIBJNXAORVDY-CJNGLKHVSA-N 0 3 285.391 2.608 20 30 CFEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000354987187 279797918 /nfs/dbraw/zinc/79/79/18/279797918.db2.gz ZZOJHBLHRQMZEY-IUIKQTSFSA-N 0 3 292.354 2.542 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000073076302 280492040 /nfs/dbraw/zinc/49/20/40/280492040.db2.gz SZNLXGJEGKJSGP-UHFFFAOYSA-N 0 3 293.370 2.896 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000255085947 281087118 /nfs/dbraw/zinc/08/71/18/281087118.db2.gz CCNQSJZWEPJZEO-MBPXDVQNSA-N 0 3 297.402 2.513 20 30 CFEDHN CC[C@]1(C)CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000344220307 281317117 /nfs/dbraw/zinc/31/71/17/281317117.db2.gz QFSCQKFITNSHTK-GOEBONIOSA-N 0 3 291.439 2.840 20 30 CFEDHN CCc1ccc(C#CC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000293090109 281390377 /nfs/dbraw/zinc/39/03/77/281390377.db2.gz DWYZWGOUZTXVMU-YJBOKZPZSA-N 0 3 298.430 2.542 20 30 CFEDHN C[C@H](NCCC(=O)Nc1ccccn1)c1ccc(C#N)cc1 ZINC000538615690 281555578 /nfs/dbraw/zinc/55/55/78/281555578.db2.gz SJAFJSYHFDHVGM-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN Cc1cc(C#N)cnc1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000549190175 281813258 /nfs/dbraw/zinc/81/32/58/281813258.db2.gz MZPUKIGYOCUCTQ-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C[C@@H](N[C@H]1CCC1(C)C)C(=O)Nc1ccccc1C#N ZINC000554404517 281892312 /nfs/dbraw/zinc/89/23/12/281892312.db2.gz FMNNSKUXYIHVOK-RISCZKNCSA-N 0 3 271.364 2.663 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)Nc1cc(C#N)ncn1)N(C)C ZINC000557754175 281971062 /nfs/dbraw/zinc/97/10/62/281971062.db2.gz PJQZXJLBQKIUMC-GUYCJALGSA-N 0 3 295.390 2.760 20 30 CFEDHN CN(C)CCN(Cc1ccco1)Cc1ccc(C#N)s1 ZINC000289478934 289149578 /nfs/dbraw/zinc/14/95/78/289149578.db2.gz QELKZUBUGJKPIE-UHFFFAOYSA-N 0 3 289.404 2.777 20 30 CFEDHN CC(C#N)C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000335243823 289234683 /nfs/dbraw/zinc/23/46/83/289234683.db2.gz KZPRYJUGBNDLPU-GFCCVEGCSA-N 0 3 260.312 2.633 20 30 CFEDHN CC(C#N)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000335771500 289235158 /nfs/dbraw/zinc/23/51/58/289235158.db2.gz YMJBULAOBFDQGG-CZUORRHYSA-N 0 3 279.343 2.579 20 30 CFEDHN C[C@H](C#N)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000347079981 289236174 /nfs/dbraw/zinc/23/61/74/289236174.db2.gz WAMILIUHFZKUTB-NVXWUHKLSA-N 0 3 299.418 2.735 20 30 CFEDHN CC(C)(C)CCCN1CCN(c2cnccc2C#N)CC1 ZINC000562379604 290039372 /nfs/dbraw/zinc/03/93/72/290039372.db2.gz PRDRPWYBFMKXIC-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN CCC1CC(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000562630581 290061037 /nfs/dbraw/zinc/06/10/37/290061037.db2.gz MNKXHJDUCJGKJJ-PUJMQQBBSA-N 0 3 297.402 2.832 20 30 CFEDHN CN(Cc1cnc2c(C#N)cnn2c1)CC1CCCCC1 ZINC000563153974 290109914 /nfs/dbraw/zinc/10/99/14/290109914.db2.gz DBBTWFSQVRRRIC-UHFFFAOYSA-N 0 3 283.379 2.613 20 30 CFEDHN CCC1(C)CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563154354 290109958 /nfs/dbraw/zinc/10/99/58/290109958.db2.gz MWYRASBZQGZXMB-UHFFFAOYSA-N 0 3 283.379 2.613 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CCOC2=O)CC1 ZINC000371158936 290218999 /nfs/dbraw/zinc/21/89/99/290218999.db2.gz YANIPAFWIBIWOG-CYBMUJFWSA-N 0 3 284.359 2.648 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000567994436 290513567 /nfs/dbraw/zinc/51/35/67/290513567.db2.gz MEVZVRCRZUFOGI-KWCYVHTRSA-N 0 3 271.320 2.745 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001085462670 782063104 /nfs/dbraw/zinc/06/31/04/782063104.db2.gz KUPNKGWDHIRYKE-MRXNPFEDSA-N 0 3 272.392 2.799 20 30 CFEDHN CC1CN(c2c(Cl)cccc2C#N)CCCO1 ZINC000174724174 300294952 /nfs/dbraw/zinc/29/49/52/300294952.db2.gz WGMQCKQEYLUGLU-JTQLQIEISA-N 0 3 250.729 2.827 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(CF)CCC1)C(C)C ZINC000584352667 328732826 /nfs/dbraw/zinc/73/28/26/328732826.db2.gz WETKGYFEOVZFEP-HNNXBMFYSA-N 0 3 296.430 2.941 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2ccc(F)cc2)C1 ZINC000185752448 327844451 /nfs/dbraw/zinc/84/44/51/327844451.db2.gz LJUXTLAZWQRTNE-GLQYFDAESA-N 0 3 262.328 2.531 20 30 CFEDHN CN(C)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185764252 327844898 /nfs/dbraw/zinc/84/48/98/327844898.db2.gz PSOTXNVUQJPDNB-LSDHHAIUSA-N 0 3 257.381 2.925 20 30 CFEDHN Cn1cc(CN[C@H]2CCC[C@H](C#N)C2)c(C(F)(F)F)n1 ZINC000185867715 327848898 /nfs/dbraw/zinc/84/88/98/327848898.db2.gz WJNXMUIUSZCDPF-ONGXEEELSA-N 0 3 286.301 2.611 20 30 CFEDHN C[C@](O)(CN[C@@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000192890950 327878840 /nfs/dbraw/zinc/87/88/40/327878840.db2.gz XNJPQVSXDDWFEN-YUTCNCBUSA-N 0 3 264.394 2.628 20 30 CFEDHN C=C(C)[C@@H](CC(=O)NC[C@@H](C)N1CCC(C)CC1)OCC ZINC000339391052 328009396 /nfs/dbraw/zinc/00/93/96/328009396.db2.gz KTXOKQKQRCMMOP-HZPDHXFCSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(CCOC[C@H]1CCCO1)CCc1ccccc1 ZINC000152199163 328079504 /nfs/dbraw/zinc/07/95/04/328079504.db2.gz HMCZOVLSSNCCCO-GOSISDBHSA-N 0 3 289.419 2.913 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)C(C)(C)C#N)c1ccccc1 ZINC000264553589 328160237 /nfs/dbraw/zinc/16/02/37/328160237.db2.gz XPAWFNDGCXVMRC-ZDUSSCGKSA-N 0 3 287.407 2.782 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414449441 328176757 /nfs/dbraw/zinc/17/67/57/328176757.db2.gz COKKIQOPOMTEJN-LLVKDONJSA-N 0 3 259.271 2.650 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC(CO)CC1 ZINC000268989689 328188332 /nfs/dbraw/zinc/18/83/32/328188332.db2.gz RRYPLGDDUBPMME-UHFFFAOYSA-N 0 3 272.392 2.692 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc([S@@](C)=O)cc1 ZINC000274641856 328212429 /nfs/dbraw/zinc/21/24/29/328212429.db2.gz RHWUVECZVCOEAH-QULAYQROSA-N 0 3 276.405 2.767 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCc2ccccc2C1 ZINC000583043124 329303082 /nfs/dbraw/zinc/30/30/82/329303082.db2.gz BSTOVGXCWWISAD-XJKSGUPXSA-N 0 3 253.349 2.577 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC[C@@H](C#N)CCC#N ZINC000583049162 329303404 /nfs/dbraw/zinc/30/34/04/329303404.db2.gz QLQOJEOISOKCMR-RBSFLKMASA-N 0 3 277.412 2.861 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ncccc1C ZINC001085538036 782093391 /nfs/dbraw/zinc/09/33/91/782093391.db2.gz NJZVEIAUZOAXJB-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CNCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000119642232 328307359 /nfs/dbraw/zinc/30/73/59/328307359.db2.gz QUHRCYBGFIZDHS-UHFFFAOYSA-N 0 3 257.337 2.751 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000049375591 328356550 /nfs/dbraw/zinc/35/65/50/328356550.db2.gz BGJHLZIGZUIXCJ-UHFFFAOYSA-N 0 3 276.767 2.624 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000101549690 328357084 /nfs/dbraw/zinc/35/70/84/328357084.db2.gz CHTMMRQGFODTKY-CQSZACIVSA-N 0 3 261.365 2.874 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000573692901 322665689 /nfs/dbraw/zinc/66/56/89/322665689.db2.gz QATBVYSOWSVLHD-CQSZACIVSA-N 0 3 273.380 2.911 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000121133936 328365250 /nfs/dbraw/zinc/36/52/50/328365250.db2.gz ONBMYAZTXZXKAX-GFCCVEGCSA-N 0 3 289.297 2.563 20 30 CFEDHN C=CCN(C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000121387759 328375573 /nfs/dbraw/zinc/37/55/73/328375573.db2.gz CXSFCHKOZOYRHP-DOMZBBRYSA-N 0 3 283.799 2.896 20 30 CFEDHN CO[C@@H](C)[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000342304926 328418233 /nfs/dbraw/zinc/41/82/33/328418233.db2.gz INQLXTBLPFUDBQ-KGLIPLIRSA-N 0 3 276.380 2.882 20 30 CFEDHN CN(CCCNCc1cc(C#N)cs1)CC(F)(F)F ZINC000177685432 323700863 /nfs/dbraw/zinc/70/08/63/323700863.db2.gz NMKKCUQXGIVOTF-UHFFFAOYSA-N 0 3 291.342 2.594 20 30 CFEDHN C[C@H]1C[C@H]1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000334266097 328421243 /nfs/dbraw/zinc/42/12/43/328421243.db2.gz YTCAROWWLFNERR-KBPBESRZSA-N 0 3 255.365 2.595 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415989886 328432709 /nfs/dbraw/zinc/43/27/09/328432709.db2.gz LWNJFLMCVGFICQ-CYBMUJFWSA-N 0 3 289.379 2.645 20 30 CFEDHN CC(C)OCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000194963761 324098362 /nfs/dbraw/zinc/09/83/62/324098362.db2.gz CYNOUOKJNWVVCM-UHFFFAOYSA-N 0 3 258.365 2.948 20 30 CFEDHN CO[C@@H]([C@@H](C)NCc1cc(C#N)cs1)C1CC1 ZINC000388259226 324502297 /nfs/dbraw/zinc/50/22/97/324502297.db2.gz CKDZUVMPRLUVAT-RNCFNFMXSA-N 0 3 250.367 2.523 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C#N)s1 ZINC000580572869 325048447 /nfs/dbraw/zinc/04/84/47/325048447.db2.gz CPIFCUQAGMXZSG-GWCFXTLKSA-N 0 3 252.383 2.506 20 30 CFEDHN COc1ccccc1[C@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000581139248 325094475 /nfs/dbraw/zinc/09/44/75/325094475.db2.gz ADQPMUQEECQJLU-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN CC1(C)CC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582011744 325169400 /nfs/dbraw/zinc/16/94/00/325169400.db2.gz MCEOTQYRAIZQKW-ZDUSSCGKSA-N 0 3 259.309 2.745 20 30 CFEDHN C[C@H](NCCc1cccc(C#N)c1)c1cc2n(n1)CCC2 ZINC000582347773 325197210 /nfs/dbraw/zinc/19/72/10/325197210.db2.gz SYGNZYVWGZBZCC-ZDUSSCGKSA-N 0 3 280.375 2.594 20 30 CFEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000582615079 325219861 /nfs/dbraw/zinc/21/98/61/325219861.db2.gz PGUFVOLVXLNVEJ-ZIAGYGMSSA-N 0 3 261.394 2.717 20 30 CFEDHN CS[C@@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000582642665 325221429 /nfs/dbraw/zinc/22/14/29/325221429.db2.gz RYIAODWIELRJPU-CQSZACIVSA-N 0 3 261.394 2.671 20 30 CFEDHN CCN(Cc1ccc(C#N)cn1)[C@@H]1CCOC(C)(C)C1 ZINC000583701683 325304999 /nfs/dbraw/zinc/30/49/99/325304999.db2.gz XEKSKNIQMDSAGF-OAHLLOKOSA-N 0 3 273.380 2.733 20 30 CFEDHN C[C@@H](N(C)CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000557449509 327006038 /nfs/dbraw/zinc/00/60/38/327006038.db2.gz WUENMVZFPUHQLI-CYBMUJFWSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1nn(C)c(C)c1CN1CCC(CCC#N)CC1 ZINC000564449408 327090584 /nfs/dbraw/zinc/09/05/84/327090584.db2.gz ZOOQVOFKDMVJGL-UHFFFAOYSA-N 0 3 260.385 2.553 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC#Cc1ccccc1Cl ZINC000558723285 327117269 /nfs/dbraw/zinc/11/72/69/327117269.db2.gz UBLBOESYVFMOOF-CHWSQXEVSA-N 0 3 293.794 2.869 20 30 CFEDHN CC(C)(NC(=O)C(C#N)CCc1ccccc1)c1ncc[nH]1 ZINC000569347638 327120764 /nfs/dbraw/zinc/12/07/64/327120764.db2.gz KFYNYICDXNNNQF-AWEZNQCLSA-N 0 3 296.374 2.534 20 30 CFEDHN CC1(C)CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000127042671 327149033 /nfs/dbraw/zinc/14/90/33/327149033.db2.gz FXHPUTUHAWHELY-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)CC12CCCCC2 ZINC000518515561 327171113 /nfs/dbraw/zinc/17/11/13/327171113.db2.gz DFWKNNBOUYMJOV-LSDHHAIUSA-N 0 3 291.439 2.826 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CO[C@H](C)C2)cc1OC ZINC000569457096 327179662 /nfs/dbraw/zinc/17/96/62/327179662.db2.gz MSPBCWIYUMAZIV-TZMCWYRMSA-N 0 3 277.364 2.527 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](C)C1)C(C)C ZINC000410387563 327190723 /nfs/dbraw/zinc/19/07/23/327190723.db2.gz IOCQCLLDJCTKLB-CVEARBPZSA-N 0 3 293.455 2.736 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000564990439 327341823 /nfs/dbraw/zinc/34/18/23/327341823.db2.gz KWCVDTMYVDPYDE-WBVHZDCISA-N 0 3 273.376 2.862 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccccc1Cl ZINC000121452677 327353499 /nfs/dbraw/zinc/35/34/99/327353499.db2.gz YEODTHLBIZAZQN-UHFFFAOYSA-N 0 3 252.745 2.786 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1[C@@H](C)C[C@@H]1C ZINC000519797822 328697532 /nfs/dbraw/zinc/69/75/32/328697532.db2.gz JKWXZIAPYHJBOA-OFQRWUPVSA-N 0 3 275.392 2.638 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)C2(C#N)CC(C)C2)N(C)C)cc1 ZINC000532319817 328762982 /nfs/dbraw/zinc/76/29/82/328762982.db2.gz QAEUDSFJUYYKEW-HQVVEAJESA-N 0 3 299.418 2.654 20 30 CFEDHN CC#CCCNCc1cccc(OC)c1OC(C)C ZINC000360960659 328912841 /nfs/dbraw/zinc/91/28/41/328912841.db2.gz ZQQUFRGGBIPSBQ-UHFFFAOYSA-N 0 3 261.365 2.985 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000377649363 329023107 /nfs/dbraw/zinc/02/31/07/329023107.db2.gz MHPBPOUYORJFFJ-SFHVURJKSA-N 0 3 278.355 2.716 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1-c1cccs1)C(C)C ZINC000377703734 329026086 /nfs/dbraw/zinc/02/60/86/329026086.db2.gz RIWPKNYJEJUVCD-ZDUSSCGKSA-N 0 3 273.405 2.896 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2cccs2)C[C@H]1C ZINC000377803945 329030031 /nfs/dbraw/zinc/03/00/31/329030031.db2.gz BCRLKRKFUYFNCU-FRRDWIJNSA-N 0 3 278.421 2.617 20 30 CFEDHN C#CCCN1CC=C(c2ccc(OC)c(OC)c2)CC1 ZINC000378369756 329047679 /nfs/dbraw/zinc/04/76/79/329047679.db2.gz ZUKHAGFTGMGAQM-UHFFFAOYSA-N 0 3 271.360 2.816 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCC2CCCC2)CC1 ZINC000171713135 329078813 /nfs/dbraw/zinc/07/88/13/329078813.db2.gz GFQIGUYXZIRSIX-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccccc2)CC1 ZINC000171726164 329079201 /nfs/dbraw/zinc/07/92/01/329079201.db2.gz WBVCJDLQWXRVMC-HNNXBMFYSA-N 0 3 286.419 2.947 20 30 CFEDHN C#CCSCCNCc1ccc(OC)c(COCC)c1 ZINC000172674522 329137437 /nfs/dbraw/zinc/13/74/37/329137437.db2.gz HWHUXHYVKUCTLC-UHFFFAOYSA-N 0 3 293.432 2.688 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N[C@H](C#N)C2CCCCC2)c1 ZINC000176613423 329177380 /nfs/dbraw/zinc/17/73/80/329177380.db2.gz STHJRFRTPQMPIE-QGZVFWFLSA-N 0 3 299.418 2.950 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H]1CC ZINC000429270380 329195903 /nfs/dbraw/zinc/19/59/03/329195903.db2.gz FZFLPDKBUDRYBE-HOTGVXAUSA-N 0 3 275.392 2.639 20 30 CFEDHN C=CCOc1cccc(CN2CCCO[C@@H](C)C2)c1 ZINC000179396400 329207015 /nfs/dbraw/zinc/20/70/15/329207015.db2.gz VKCZNFZRZKQGOT-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN(C)CC(=C)C ZINC000181299647 329230362 /nfs/dbraw/zinc/23/03/62/329230362.db2.gz BDHGUILFSSTOGF-MRXNPFEDSA-N 0 3 275.392 2.663 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182152889 329240312 /nfs/dbraw/zinc/24/03/12/329240312.db2.gz WRPQHGCTTGHXPG-CYBMUJFWSA-N 0 3 276.380 2.888 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000183470015 329247852 /nfs/dbraw/zinc/24/78/52/329247852.db2.gz ATQZDLMWYTWBOP-JYJNAYRXSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Cl)ccc1F ZINC000321071202 329250554 /nfs/dbraw/zinc/25/05/54/329250554.db2.gz ZWYBWAYWPDDOTJ-LBPRGKRZSA-N 0 3 257.736 2.896 20 30 CFEDHN CC#CCCCC(=O)N(CCN(C)C)C1CCCC1 ZINC000185250735 329269581 /nfs/dbraw/zinc/26/95/81/329269581.db2.gz WVPZYSQURSYYNX-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN CC#CCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000185740982 329331089 /nfs/dbraw/zinc/33/10/89/329331089.db2.gz CRRJFPLIXHVZRJ-MRXNPFEDSA-N 0 3 284.403 2.700 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2C2(CC2)C1 ZINC000186165497 329338506 /nfs/dbraw/zinc/33/85/06/329338506.db2.gz PLTILTCIIZBKOT-OAHLLOKOSA-N 0 3 257.377 2.861 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)cc1F ZINC000321287822 329340302 /nfs/dbraw/zinc/34/03/02/329340302.db2.gz GYPFTYCVGVZBGS-PWSUYJOCSA-N 0 3 255.308 2.943 20 30 CFEDHN Cc1ccc(CC[C@@H](C)NC[C@H](C#N)CCC#N)o1 ZINC000583199413 329358644 /nfs/dbraw/zinc/35/86/44/329358644.db2.gz NTDHGHKNRIEHFJ-OCCSQVGLSA-N 0 3 259.353 2.942 20 30 CFEDHN C#C[C@@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000187730028 329363013 /nfs/dbraw/zinc/36/30/13/329363013.db2.gz JHXRVVZIRHYENL-HUUCEWRRSA-N 0 3 299.418 2.533 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCC[C@H](C)C2)CCC1 ZINC000188730870 329370946 /nfs/dbraw/zinc/37/09/46/329370946.db2.gz RGSYIWWXMUSOFJ-AWEZNQCLSA-N 0 3 264.413 2.581 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc2sccc2s1 ZINC000392789961 329385395 /nfs/dbraw/zinc/38/53/95/329385395.db2.gz XPHCUJIQNKWYQG-UHFFFAOYSA-N 0 3 292.429 2.648 20 30 CFEDHN CC(C)N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000232660490 329390935 /nfs/dbraw/zinc/39/09/35/329390935.db2.gz QYMLUCYNBDLJEC-UHFFFAOYSA-N 0 3 251.418 2.732 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418647718 329538339 /nfs/dbraw/zinc/53/83/39/329538339.db2.gz YIOFFZQOLBAFJQ-WBVHZDCISA-N 0 3 299.418 2.624 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000264088359 330061022 /nfs/dbraw/zinc/06/10/22/330061022.db2.gz ASBPTBQQUMJMOA-UHFFFAOYSA-N 0 3 291.370 2.988 20 30 CFEDHN C=CCN(Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000271287041 330078645 /nfs/dbraw/zinc/07/86/45/330078645.db2.gz DNIIFFVDOOXQNY-UHFFFAOYSA-N 0 3 263.337 2.560 20 30 CFEDHN C[C@H](O)[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272485438 330085607 /nfs/dbraw/zinc/08/56/07/330085607.db2.gz BNTFCZZFLFILIR-GXTWGEPZSA-N 0 3 297.320 2.760 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CC(F)F)c1ccccc1 ZINC000422027846 330117563 /nfs/dbraw/zinc/11/75/63/330117563.db2.gz RGFBXCNMXIQVNT-ONGXEEELSA-N 0 3 252.264 2.659 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCN(C(=O)CC)C1)c1ccco1 ZINC000278857161 330120473 /nfs/dbraw/zinc/12/04/73/330120473.db2.gz FFXSAWBCBREQDB-KGLIPLIRSA-N 0 3 276.380 2.887 20 30 CFEDHN C=CC[C@@H](C)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423217911 330179126 /nfs/dbraw/zinc/17/91/26/330179126.db2.gz SRJBLYKPESMFGR-TZMCWYRMSA-N 0 3 260.381 2.793 20 30 CFEDHN CN(Cc1cscn1)C(=O)C(C#N)CCc1ccccc1 ZINC000433318044 330221806 /nfs/dbraw/zinc/22/18/06/330221806.db2.gz MVRWGWDZDRXWEH-CQSZACIVSA-N 0 3 299.399 2.874 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)c1cccc(C)c1C ZINC000424094247 330226737 /nfs/dbraw/zinc/22/67/37/330226737.db2.gz LJTFTIXBBKMAIV-AWEZNQCLSA-N 0 3 273.380 2.678 20 30 CFEDHN CC1CCC(N(C(=O)[C@@H](N)CCCC#N)C2CC2)CC1 ZINC000424100194 330233110 /nfs/dbraw/zinc/23/31/10/330233110.db2.gz WIZQHAFXMZXVFM-PIMMBPRGSA-N 0 3 277.412 2.577 20 30 CFEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424104183 330233783 /nfs/dbraw/zinc/23/37/83/330233783.db2.gz TYXQDDRUVWZRCQ-LBPRGKRZSA-N 0 3 295.770 2.698 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424105230 330234221 /nfs/dbraw/zinc/23/42/21/330234221.db2.gz QGQROWUFNIMQNL-KBXIAJHMSA-N 0 3 279.428 2.585 20 30 CFEDHN CC(C)(CCc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424109326 330237199 /nfs/dbraw/zinc/23/71/99/330237199.db2.gz ABMVYJFFLRBVFY-OAHLLOKOSA-N 0 3 287.407 2.535 20 30 CFEDHN Cc1ccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)s1 ZINC000424111550 330239897 /nfs/dbraw/zinc/23/98/97/330239897.db2.gz ASJRVZNHIFXKSZ-QWHCGFSZSA-N 0 3 291.420 2.741 20 30 CFEDHN CN1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000527245495 330241613 /nfs/dbraw/zinc/24/16/13/330241613.db2.gz WJAWMEJFCXQXLR-CQSZACIVSA-N 0 3 299.418 2.559 20 30 CFEDHN CC(C)(C)Oc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424118791 330244773 /nfs/dbraw/zinc/24/47/73/330244773.db2.gz DVGODYXUJIKWLQ-LBPRGKRZSA-N 0 3 289.379 2.824 20 30 CFEDHN CCc1ccc(CC)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424130414 330261149 /nfs/dbraw/zinc/26/11/49/330261149.db2.gz ZGDYENLFMIZKRP-AWEZNQCLSA-N 0 3 273.380 2.771 20 30 CFEDHN C=CCOc1ccccc1CNCC12CC(C1)CO2 ZINC000527792070 330283681 /nfs/dbraw/zinc/28/36/81/330283681.db2.gz XRLFCJMZZFHCKT-UHFFFAOYSA-N 0 3 259.349 2.520 20 30 CFEDHN COc1cccc([C@H](CN[C@@H]2CC[C@H](C#N)C2)OC)c1 ZINC000527925530 330296457 /nfs/dbraw/zinc/29/64/57/330296457.db2.gz KZGXMFDBWUUTMB-BJJXKVORSA-N 0 3 274.364 2.665 20 30 CFEDHN C=CCC[C@H](CC)N[C@@H]1Cc2ccccc2NC1=O ZINC000527999327 330299856 /nfs/dbraw/zinc/29/98/56/330299856.db2.gz KTQAMHIKKWNBAQ-DZGCQCFKSA-N 0 3 258.365 2.884 20 30 CFEDHN C=CCn1cc(CN[C@H](C)Cc2ccc(Cl)cc2)nn1 ZINC000424168360 330310088 /nfs/dbraw/zinc/31/00/88/330310088.db2.gz FLUQWUHBJAHYNN-GFCCVEGCSA-N 0 3 290.798 2.838 20 30 CFEDHN C=CCn1cc(CNC[C@H](c2ccccc2)C(C)C)nn1 ZINC000424175168 330315231 /nfs/dbraw/zinc/31/52/31/330315231.db2.gz STALOTHBXFBLNF-KRWDZBQOSA-N 0 3 284.407 2.994 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2CCC[C@@H](CC)C2)nn1 ZINC000424175259 330315321 /nfs/dbraw/zinc/31/53/21/330315321.db2.gz UAFRIJPGOPFESB-ZIAGYGMSSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@@H](C(C)C)C2)nn1 ZINC000424176666 330316834 /nfs/dbraw/zinc/31/68/34/330316834.db2.gz YGNAAPSPZXMKOI-ZIAGYGMSSA-N 0 3 262.401 2.769 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cnc([C@@H]2CCCO2)s1 ZINC000424179207 330318555 /nfs/dbraw/zinc/31/85/55/330318555.db2.gz XWQRWHSEDURVBU-UBHSHLNASA-N 0 3 294.420 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(C(C)C)s1 ZINC000424179284 330318625 /nfs/dbraw/zinc/31/86/25/330318625.db2.gz YBUAVIJYNKQIHX-RYUDHWBXSA-N 0 3 266.410 2.947 20 30 CFEDHN C=C(C)CN(CC)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528344844 330321142 /nfs/dbraw/zinc/32/11/42/330321142.db2.gz GBFYVSHXPGJPEU-HNNXBMFYSA-N 0 3 264.413 2.818 20 30 CFEDHN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@H](N)CCCC#N)C2)c1 ZINC000424192813 330324009 /nfs/dbraw/zinc/32/40/09/330324009.db2.gz STJPGYHBPWUCFI-DOTOQJQBSA-N 0 3 299.418 2.641 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC(C)(C)C[C@@H]2C)nn1 ZINC000424292014 330334970 /nfs/dbraw/zinc/33/49/70/330334970.db2.gz FWRBQLLHVLAXTG-JSGCOSHPSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC(C)(C)C[C@H]2C)nn1 ZINC000424292016 330335069 /nfs/dbraw/zinc/33/50/69/330335069.db2.gz FWRBQLLHVLAXTG-OCCSQVGLSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](CCC)C(C)(C)C)nn1 ZINC000424300405 330336980 /nfs/dbraw/zinc/33/69/80/330336980.db2.gz XKWVWFYITURMRS-CYBMUJFWSA-N 0 3 250.390 2.769 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000424320769 330340183 /nfs/dbraw/zinc/34/01/83/330340183.db2.gz GKHURFILPIVMRH-DVOMOZLQSA-N 0 3 285.391 2.731 20 30 CFEDHN COc1cc(OC)cc([C@@H]2CCN(CCCC#N)C2)c1 ZINC000083403065 330357733 /nfs/dbraw/zinc/35/77/33/330357733.db2.gz PBQMDPIUPAJTAQ-CYBMUJFWSA-N 0 3 274.364 2.797 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000424573526 330384832 /nfs/dbraw/zinc/38/48/32/330384832.db2.gz YEYXUYDJXZMZEO-INIZCTEOSA-N 0 3 286.419 2.979 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000424582080 330387604 /nfs/dbraw/zinc/38/76/04/330387604.db2.gz HLWKCVNGIDQYND-UONOGXRCSA-N 0 3 266.429 2.968 20 30 CFEDHN C[C@H](CC(=O)Nc1ccccc1)NCC1(CC#N)CC1 ZINC000430068780 330558535 /nfs/dbraw/zinc/55/85/35/330558535.db2.gz WVGHNZMTFMNXEY-CYBMUJFWSA-N 0 3 271.364 2.687 20 30 CFEDHN N#CCCCCNCc1nc(-c2ccccc2)c[nH]1 ZINC000194290678 330574704 /nfs/dbraw/zinc/57/47/04/330574704.db2.gz CIFYAINEDBYPOU-UHFFFAOYSA-N 0 3 254.337 2.860 20 30 CFEDHN COc1cc(C)nc(CNCC2CCC(C#N)CC2)c1 ZINC000441345156 330766140 /nfs/dbraw/zinc/76/61/40/330766140.db2.gz FOSVCAQYFQMTGG-UHFFFAOYSA-N 0 3 273.380 2.818 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000442703761 330779956 /nfs/dbraw/zinc/77/99/56/330779956.db2.gz BDBCNSMVFMGKJH-IACUBPJLSA-N 0 3 263.410 2.633 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccnc(OCC(F)(F)F)c2)C1 ZINC000442714082 330780438 /nfs/dbraw/zinc/78/04/38/330780438.db2.gz KRPYMZDKTSQCGX-JQWIXIFHSA-N 0 3 299.296 2.805 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000442719074 330780605 /nfs/dbraw/zinc/78/06/05/330780605.db2.gz QXRTWJTWRTXSSE-DZGCQCFKSA-N 0 3 283.375 2.595 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000442719080 330780610 /nfs/dbraw/zinc/78/06/10/330780610.db2.gz QXRTWJTWRTXSSE-ZFWWWQNUSA-N 0 3 283.375 2.595 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc(-n3ccnc3)c2)C1 ZINC000442785307 330783188 /nfs/dbraw/zinc/78/31/88/330783188.db2.gz VGDZXEHZUUJSBX-HIFRSBDPSA-N 0 3 266.348 2.654 20 30 CFEDHN Cc1cc(N2CCN(C)CC2)ccc1N[C@H]1CC[C@H](C#N)C1 ZINC000442876647 330789779 /nfs/dbraw/zinc/78/97/79/330789779.db2.gz VMFALHMTQHHMRS-HOTGVXAUSA-N 0 3 298.434 2.851 20 30 CFEDHN C=C(C)CN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000446569729 330850325 /nfs/dbraw/zinc/85/03/25/330850325.db2.gz RKIOORJFZDINPP-UHFFFAOYSA-N 0 3 275.396 2.831 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(CCOC)CCOC2)cc1 ZINC000447093140 330861243 /nfs/dbraw/zinc/86/12/43/330861243.db2.gz HILAXZLBCBZJEA-KRWDZBQOSA-N 0 3 291.391 2.537 20 30 CFEDHN C=CCCOCCNCc1ccnn1C1CCCC1 ZINC000449201532 330905966 /nfs/dbraw/zinc/90/59/66/330905966.db2.gz DYOSUKIAEXZRFS-UHFFFAOYSA-N 0 3 263.385 2.681 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C/c1ccc(F)c(F)c1 ZINC000449519785 330933318 /nfs/dbraw/zinc/93/33/18/330933318.db2.gz NJHOAINFDXDDGE-RYIMYRPNSA-N 0 3 265.303 2.911 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000449548323 330935609 /nfs/dbraw/zinc/93/56/09/330935609.db2.gz MKSLJSLTSLTNFA-CABCVRRESA-N 0 3 276.336 2.726 20 30 CFEDHN C=CCC1(C(=O)NCCNc2ccncc2)CCCCC1 ZINC000449814360 330951111 /nfs/dbraw/zinc/95/11/11/330951111.db2.gz KSCPMRBTHNUSEN-UHFFFAOYSA-N 0 3 287.407 2.558 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1Nc1ccnc2ccccc21 ZINC000450801050 331000256 /nfs/dbraw/zinc/00/02/56/331000256.db2.gz DDZLWMPGOJHXTI-CVEARBPZSA-N 0 3 254.333 2.802 20 30 CFEDHN CC(C)C[C@@]1(CO)CCCN1CC1(C#N)CCC1 ZINC000450834079 331001891 /nfs/dbraw/zinc/00/18/91/331001891.db2.gz LLONOYVWICABJX-OAHLLOKOSA-N 0 3 250.386 2.553 20 30 CFEDHN COCCN(C[C@H]1CC=CCC1)CC1(C#N)CCC1 ZINC000450838839 331002128 /nfs/dbraw/zinc/00/21/28/331002128.db2.gz PRYAHCPAGBDTIW-HNNXBMFYSA-N 0 3 262.397 2.985 20 30 CFEDHN C=C(CC)CN1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026605 331012438 /nfs/dbraw/zinc/01/24/38/331012438.db2.gz LPVFWFRBQIECSK-CQSZACIVSA-N 0 3 275.396 2.567 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451401934 331027715 /nfs/dbraw/zinc/02/77/15/331027715.db2.gz AJGRHTGCIPRQJA-TUAOUCFPSA-N 0 3 265.319 2.976 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CC[C@](O)(C(F)F)C1 ZINC000451428544 331029122 /nfs/dbraw/zinc/02/91/22/331029122.db2.gz KUBYMURTCMSHMD-MRXNPFEDSA-N 0 3 294.345 2.690 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451507419 331031785 /nfs/dbraw/zinc/03/17/85/331031785.db2.gz VKBKUZFOVLKJJK-HUUCEWRRSA-N 0 3 296.455 2.593 20 30 CFEDHN CC#CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543505 331033467 /nfs/dbraw/zinc/03/34/67/331033467.db2.gz CCLCDVALJVMMMA-CQSZACIVSA-N 0 3 258.321 2.798 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1sc(C)nc1C(F)(F)F ZINC000451608027 331036541 /nfs/dbraw/zinc/03/65/41/331036541.db2.gz MCWNHXQOQFCUTQ-BDAKNGLRSA-N 0 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ZINC000454217362 331142068 /nfs/dbraw/zinc/14/20/68/331142068.db2.gz QGQHRTTYEPUMTI-UHFFFAOYSA-N 0 3 275.396 2.514 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000454257684 331143036 /nfs/dbraw/zinc/14/30/36/331143036.db2.gz LMKACUMFMJFBIU-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000454487396 331147329 /nfs/dbraw/zinc/14/73/29/331147329.db2.gz LHMXVOQZKAKNGK-OAHLLOKOSA-N 0 3 289.423 2.772 20 30 CFEDHN C=CCN1CCC(NC(=O)C2=CCC(C)(C)CC2)CC1 ZINC000455487945 331170925 /nfs/dbraw/zinc/17/09/25/331170925.db2.gz KWYDLFWQVAFFQC-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCCC#N)C1 ZINC000456348368 331190534 /nfs/dbraw/zinc/19/05/34/331190534.db2.gz VAMFOBVRSLZNLE-MRXNPFEDSA-N 0 3 299.418 2.661 20 30 CFEDHN C[C@@H](C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456695930 331198896 /nfs/dbraw/zinc/19/88/96/331198896.db2.gz PKVATBSBRDULAM-ZDUSSCGKSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CC[C@@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164345586 331209208 /nfs/dbraw/zinc/20/92/08/331209208.db2.gz SGGLLDYMYWFXIZ-MFKMUULPSA-N 0 3 283.368 2.598 20 30 CFEDHN CC(C)(CC#N)CNC(=O)C(C#N)CCc1ccccc1 ZINC000457988366 331239035 /nfs/dbraw/zinc/23/90/35/331239035.db2.gz CJDOJMJLIRLAPV-HNNXBMFYSA-N 0 3 283.375 2.815 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@]2(C)CC=CCC2)CC1 ZINC000458316780 331248305 /nfs/dbraw/zinc/24/83/05/331248305.db2.gz HTJZTDJPDGGLAJ-KRWDZBQOSA-N 0 3 291.439 2.825 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000458806741 331260342 /nfs/dbraw/zinc/26/03/42/331260342.db2.gz DDNIQOZDBOLSKR-CQSZACIVSA-N 0 3 295.471 2.960 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC2CCC(F)(F)CC2)C1=O ZINC000459440165 331281438 /nfs/dbraw/zinc/28/14/38/331281438.db2.gz WZELUHDHXOUMIN-CYBMUJFWSA-N 0 3 286.366 2.531 20 30 CFEDHN Cc1cnn(CCCCCN[C@H]2CCC[C@@H]2C#N)c1 ZINC000459467179 331283168 /nfs/dbraw/zinc/28/31/68/331283168.db2.gz PGWJEIXXEPDQLN-CABCVRRESA-N 0 3 260.385 2.644 20 30 CFEDHN CCN(CCCN[C@@H]1CCC[C@@H]1C#N)CC(F)(F)F ZINC000459488565 331284654 /nfs/dbraw/zinc/28/46/54/331284654.db2.gz WXZMNLKBKWCWEP-VXGBXAGGSA-N 0 3 277.334 2.543 20 30 CFEDHN C=CCc1cc(CN[C@H]2C[C@@H](OCC)C2)cc(OC)c1O ZINC000459639608 331291667 /nfs/dbraw/zinc/29/16/67/331291667.db2.gz DCOKFJIACWFGMW-GASCZTMLSA-N 0 3 291.391 2.786 20 30 CFEDHN Cn1cc(CNCC(C)(C)CC#N)c(-c2ccncc2)n1 ZINC000459705221 331295194 /nfs/dbraw/zinc/29/51/94/331295194.db2.gz XWXVBYBKTVOEFQ-UHFFFAOYSA-N 0 3 283.379 2.512 20 30 CFEDHN Cc1ccc(CNCC(C)(C)CC#N)cc1[N+](=O)[O-] ZINC000459706340 331295220 /nfs/dbraw/zinc/29/52/20/331295220.db2.gz ZFBRTPKTMVENNI-UHFFFAOYSA-N 0 3 261.325 2.933 20 30 CFEDHN COC[C@@H](Cc1ccccc1)NCC(C)(C)CC#N ZINC000459730389 331296441 /nfs/dbraw/zinc/29/64/41/331296441.db2.gz LWSICZYTTGBUMY-OAHLLOKOSA-N 0 3 260.381 2.774 20 30 CFEDHN CC[C@@H]1OCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000459777960 331300343 /nfs/dbraw/zinc/30/03/43/331300343.db2.gz OOGLCSXLSUJGAV-CABCVRRESA-N 0 3 263.768 2.849 20 30 CFEDHN CC#CCCNCc1cccc(Br)c1 ZINC000165111196 331305779 /nfs/dbraw/zinc/30/57/79/331305779.db2.gz UDNGLFOOEZJICD-UHFFFAOYSA-N 0 3 252.155 2.952 20 30 CFEDHN C=CCCCC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000479625429 331741422 /nfs/dbraw/zinc/74/14/22/331741422.db2.gz UEXBQANEUVIMFT-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)C(C)(C)C1 ZINC000300779734 331923773 /nfs/dbraw/zinc/92/37/73/331923773.db2.gz BGRMGYPADSZERH-LBPRGKRZSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CCCCCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490202158 332084542 /nfs/dbraw/zinc/08/45/42/332084542.db2.gz NUPOXQGWFUFVNP-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490304000 332086340 /nfs/dbraw/zinc/08/63/40/332086340.db2.gz XNZKADGABSJILG-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN COc1ccccc1-c1ncc(CNCCCCC#N)cn1 ZINC000490829064 332118187 /nfs/dbraw/zinc/11/81/87/332118187.db2.gz UALLEMRWYCTIPT-UHFFFAOYSA-N 0 3 296.374 2.936 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](CC(C)C)c1cccs1 ZINC000490934554 332130655 /nfs/dbraw/zinc/13/06/55/332130655.db2.gz JGWRCTJFTVWKHZ-QWHCGFSZSA-N 0 3 278.421 2.563 20 30 CFEDHN C#C[C@@H](CCC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000491145026 332156030 /nfs/dbraw/zinc/15/60/30/332156030.db2.gz JNMBSORTYCAEHR-AWEZNQCLSA-N 0 3 273.380 2.672 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccccc1-c1ccnn1C ZINC000491209686 332166535 /nfs/dbraw/zinc/16/65/35/332166535.db2.gz KKJJFLJRJPLWNR-CYBMUJFWSA-N 0 3 253.349 2.541 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OCC(F)F)cc1 ZINC000491231754 332171154 /nfs/dbraw/zinc/17/11/54/332171154.db2.gz WADAWZBTEGUVBQ-GFCCVEGCSA-N 0 3 253.292 2.832 20 30 CFEDHN C#C[C@H](NC[C@H](C)COC)c1ccc(Cl)cc1 ZINC000491307054 332186654 /nfs/dbraw/zinc/18/66/54/332186654.db2.gz OQKYKRYZHLABPX-FZMZJTMJSA-N 0 3 251.757 2.886 20 30 CFEDHN C#CCN(Cc1ccccc1C(=O)N(C)C)C1CCCC1 ZINC000491395513 332204242 /nfs/dbraw/zinc/20/42/42/332204242.db2.gz SXCACOSFBZZZHQ-UHFFFAOYSA-N 0 3 284.403 2.766 20 30 CFEDHN C#CCN(C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491396624 332204764 /nfs/dbraw/zinc/20/47/64/332204764.db2.gz YZKCPYOHFRUIMI-AWEZNQCLSA-N 0 3 280.412 2.589 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491425615 332208987 /nfs/dbraw/zinc/20/89/87/332208987.db2.gz BBULAERKKVERLL-SMDDNHRTSA-N 0 3 285.309 2.562 20 30 CFEDHN C#C[C@@H](NC1CCC(NC(C)=O)CC1)c1ccc(F)cc1 ZINC000491538219 332232983 /nfs/dbraw/zinc/23/29/83/332232983.db2.gz XLMLCJBGFFZGOO-OFLPRAFFSA-N 0 3 288.366 2.537 20 30 CFEDHN C#C[C@H](C)N(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000491632787 332254827 /nfs/dbraw/zinc/25/48/27/332254827.db2.gz SRNUUNOTUMADNF-SRXBQZRASA-N 0 3 258.321 2.952 20 30 CFEDHN C#C[C@H](NC[C@@H](O)c1ccccc1Br)C(C)C ZINC000491634242 332255420 /nfs/dbraw/zinc/25/54/20/332255420.db2.gz UVFMNAITELMXLJ-UONOGXRCSA-N 0 3 296.208 2.730 20 30 CFEDHN C#C[C@@H](NCc1cc(-n2ccnc2)cs1)C(C)C ZINC000491667929 332276079 /nfs/dbraw/zinc/27/60/79/332276079.db2.gz YQCZUVMETOBKTQ-CQSZACIVSA-N 0 3 259.378 2.681 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000575367527 335098228 /nfs/dbraw/zinc/09/82/28/335098228.db2.gz ILALVCJQHIBMJV-NHYWBVRUSA-N 0 3 279.343 2.757 20 30 CFEDHN C#CCN1CCC(C(=O)NCC(C)(C)C2=CCCC2)CC1 ZINC000491699122 332294177 /nfs/dbraw/zinc/29/41/77/332294177.db2.gz CCLSHDVPCQLVHO-UHFFFAOYSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCNC(=O)CCN[C@@H]1CCc2ccc(C(C)C)cc21 ZINC000491705190 332298497 /nfs/dbraw/zinc/29/84/97/332298497.db2.gz ZFBQFKRANDEXRV-QGZVFWFLSA-N 0 3 284.403 2.526 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000491705670 332298874 /nfs/dbraw/zinc/29/88/74/332298874.db2.gz CVZXCDBHCYRUTC-PBHICJAKSA-N 0 3 283.371 2.533 20 30 CFEDHN C#C[C@@H](CC)N[C@@H](C)CC(=O)Nc1ccccc1CC ZINC000491708350 332300671 /nfs/dbraw/zinc/30/06/71/332300671.db2.gz ZQLKCVPTQJBWCQ-ZFWWWQNUSA-N 0 3 272.392 2.968 20 30 CFEDHN C#C[C@H](CC)NCc1cn(C)nc1-c1cccs1 ZINC000491738181 332317808 /nfs/dbraw/zinc/31/78/08/332317808.db2.gz WLBHUMVDQKKVOW-GFCCVEGCSA-N 0 3 259.378 2.650 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000491812023 332364399 /nfs/dbraw/zinc/36/43/99/332364399.db2.gz DNUJEUDJQMXAII-DOMZBBRYSA-N 0 3 292.810 2.765 20 30 CFEDHN COC(=O)Nc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000495690576 332527469 /nfs/dbraw/zinc/52/74/69/332527469.db2.gz MVVDLOVZJFEDKV-AAEUAGOBSA-N 0 3 273.336 2.647 20 30 CFEDHN C[C@@H](NCC1(C#N)CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496101148 332538808 /nfs/dbraw/zinc/53/88/08/332538808.db2.gz PPCXRUGFLNRCAH-GFCCVEGCSA-N 0 3 293.411 2.525 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(CCC)CC1 ZINC000505252893 332735132 /nfs/dbraw/zinc/73/51/32/332735132.db2.gz ANXPTUJZFPWPFX-UHFFFAOYSA-N 0 3 274.408 2.779 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000179033650 333079409 /nfs/dbraw/zinc/07/94/09/333079409.db2.gz UKWFHAWTKQIESB-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN N#CCCN(C(=O)CN[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000516852470 333084263 /nfs/dbraw/zinc/08/42/63/333084263.db2.gz KNQKKOUCTOKFLF-HYVNUMGLSA-N 0 3 297.402 2.711 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1CC12CCSCC2 ZINC000516963944 333088387 /nfs/dbraw/zinc/08/83/87/333088387.db2.gz FZWFXIPKYKTVBB-CHWSQXEVSA-N 0 3 263.410 2.553 20 30 CFEDHN CC#CCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000185304479 333138406 /nfs/dbraw/zinc/13/84/06/333138406.db2.gz FNLJYZFCMXUODW-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCCN1CC ZINC000185523496 333142883 /nfs/dbraw/zinc/14/28/83/333142883.db2.gz AXHDLLKVDDRVGZ-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000191126601 333215795 /nfs/dbraw/zinc/21/57/95/333215795.db2.gz GDAMENLZJLSRNG-DZGCQCFKSA-N 0 3 254.418 2.681 20 30 CFEDHN C=CCOc1ccc(CNCCOCC2CC2)cc1 ZINC000224533170 333222064 /nfs/dbraw/zinc/22/20/64/333222064.db2.gz MQBQKIOTYHUEIW-UHFFFAOYSA-N 0 3 261.365 2.768 20 30 CFEDHN CC[C@H](CC#N)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195224228 333248357 /nfs/dbraw/zinc/24/83/57/333248357.db2.gz YUWIVCZCMCJUJB-CZUORRHYSA-N 0 3 295.427 2.915 20 30 CFEDHN Cc1nc(-c2ccc(CNC(=O)C(C)C#N)s2)cs1 ZINC000522984991 333303327 /nfs/dbraw/zinc/30/33/27/333303327.db2.gz ZSFBCEAJRADNEX-QMMMGPOBSA-N 0 3 291.401 2.956 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC000522995924 333303936 /nfs/dbraw/zinc/30/39/36/333303936.db2.gz SJJIVRRQFKSBPF-LBPRGKRZSA-N 0 3 287.363 2.569 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(C)CCO[C@@H]2C)cc1 ZINC000230150347 333314808 /nfs/dbraw/zinc/31/48/08/333314808.db2.gz VICPSNRNCFJLKW-CJNGLKHVSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@@H]2C)cc1 ZINC000230150352 333314844 /nfs/dbraw/zinc/31/48/44/333314844.db2.gz VICPSNRNCFJLKW-CZUORRHYSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@H](OC)C1 ZINC000231680239 333327931 /nfs/dbraw/zinc/32/79/31/333327931.db2.gz CZOAPVGHLLZZJF-CABCVRRESA-N 0 3 261.365 2.909 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000523605359 333333910 /nfs/dbraw/zinc/33/39/10/333333910.db2.gz ZACAWHMISPJXNA-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336980 333543353 /nfs/dbraw/zinc/54/33/53/333543353.db2.gz XKPLXBIBXAXPKQ-XJKSGUPXSA-N 0 3 297.402 2.678 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccc(CC#N)cc2)CCCO1 ZINC000339823963 335148955 /nfs/dbraw/zinc/14/89/55/335148955.db2.gz YSMJGFSKRRAUOH-QGZVFWFLSA-N 0 3 272.392 3.000 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(CC)cc1)C(C)C ZINC000067445824 333637520 /nfs/dbraw/zinc/63/75/20/333637520.db2.gz KZMOGQITDISVIT-KRWDZBQOSA-N 0 3 274.408 2.838 20 30 CFEDHN C=CCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953105 333801845 /nfs/dbraw/zinc/80/18/45/333801845.db2.gz DXYAHSPKSSJJLA-LBPRGKRZSA-N 0 3 259.271 2.905 20 30 CFEDHN C=CCCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953104 333803944 /nfs/dbraw/zinc/80/39/44/333803944.db2.gz DXYAHSPKSSJJLA-GFCCVEGCSA-N 0 3 259.271 2.905 20 30 CFEDHN N#CCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000542881579 333847694 /nfs/dbraw/zinc/84/76/94/333847694.db2.gz RZVQRONCWRJXIM-UHFFFAOYSA-N 0 3 289.335 2.599 20 30 CFEDHN C[C@@](O)(C1CCN(CCCCC#N)CC1)C(F)(F)F ZINC000545224255 333970877 /nfs/dbraw/zinc/97/08/77/333970877.db2.gz SPNVXQUWEKCZLY-GFCCVEGCSA-N 0 3 278.318 2.706 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000546685694 334045484 /nfs/dbraw/zinc/04/54/84/334045484.db2.gz BIKAZTWISUFGFN-JQWIXIFHSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000546685697 334045526 /nfs/dbraw/zinc/04/55/26/334045526.db2.gz BIKAZTWISUFGFN-ZYHUDNBSSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CC[C@@H](C(=O)NCCN1CC[C@@H](C)C1)c1ccccc1 ZINC000547654124 334106249 /nfs/dbraw/zinc/10/62/49/334106249.db2.gz DXPZPQOTMIROSN-NVXWUHKLSA-N 0 3 286.419 2.804 20 30 CFEDHN OCCCCN(CC#Cc1ccccc1Cl)C1CC1 ZINC000135096853 334115118 /nfs/dbraw/zinc/11/51/18/334115118.db2.gz LVJWWPJGRCGOLF-UHFFFAOYSA-N 0 3 277.795 2.928 20 30 CFEDHN C#CCN(CCC(=O)NC(C)C)[C@H]1CCc2ccccc21 ZINC000080002656 334165015 /nfs/dbraw/zinc/16/50/15/334165015.db2.gz LRUFFQRPTQSENN-KRWDZBQOSA-N 0 3 284.403 2.524 20 30 CFEDHN CC(C)CCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908427 334175095 /nfs/dbraw/zinc/17/50/95/334175095.db2.gz IKKXCXVLVNGMIS-QGZVFWFLSA-N 0 3 271.408 2.915 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246733386 334268507 /nfs/dbraw/zinc/26/85/07/334268507.db2.gz GIPOFCGUBOURMA-YQQAZPJKSA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(C)CCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000552080198 334286798 /nfs/dbraw/zinc/28/67/98/334286798.db2.gz NCUSYSWEZKWKAZ-GFCCVEGCSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC000553084990 334360593 /nfs/dbraw/zinc/36/05/93/334360593.db2.gz IRMSNHKYHCBPSJ-HNNXBMFYSA-N 0 3 272.392 2.543 20 30 CFEDHN C[C@@H](C#N)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000554307966 334420694 /nfs/dbraw/zinc/42/06/94/334420694.db2.gz GCFGCKOWAXRLSE-AWEZNQCLSA-N 0 3 285.391 2.562 20 30 CFEDHN CC(C)[C@@](C)(CO)NCC#Cc1ccc(Cl)cc1 ZINC000554975401 334462731 /nfs/dbraw/zinc/46/27/31/334462731.db2.gz IIFOPXQDPPZNNB-OAHLLOKOSA-N 0 3 265.784 2.688 20 30 CFEDHN C=CCC[C@@H](CO)NCc1nc(C(C)C)n2ccccc12 ZINC000566339078 334643455 /nfs/dbraw/zinc/64/34/55/334643455.db2.gz JBYFLEUSMXOFJU-AWEZNQCLSA-N 0 3 287.407 2.874 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCC(CCC#N)CC2)c1 ZINC000566858359 334667243 /nfs/dbraw/zinc/66/72/43/334667243.db2.gz ZGSWXJVKCQXFHR-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000271416898 334743541 /nfs/dbraw/zinc/74/35/41/334743541.db2.gz AYDZBJHWBDXPQK-CHWSQXEVSA-N 0 3 284.363 2.734 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(CC#N)cc2)[C@@H]1SC ZINC000573250878 334921614 /nfs/dbraw/zinc/92/16/14/334921614.db2.gz IQECMZIOIDSXPC-XHSDSOJGSA-N 0 3 290.432 2.751 20 30 CFEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccnc1 ZINC000343675979 335216302 /nfs/dbraw/zinc/21/63/02/335216302.db2.gz CBNLQBMWKLNWRF-ZDUSSCGKSA-N 0 3 251.333 2.998 20 30 CFEDHN C=CCC[C@H](NCCc1cncn1C)c1ccco1 ZINC000576638978 335229304 /nfs/dbraw/zinc/22/93/04/335229304.db2.gz PKRFGJXMVWMECL-AWEZNQCLSA-N 0 3 259.353 2.853 20 30 CFEDHN C=CCCCCN1CCN(Cc2csc(C)n2)CC1 ZINC000576699484 335236210 /nfs/dbraw/zinc/23/62/10/335236210.db2.gz VILAIWYHCYYIRM-UHFFFAOYSA-N 0 3 279.453 2.925 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)C1CCN(C2CC2)CC1 ZINC000192809280 335306411 /nfs/dbraw/zinc/30/64/11/335306411.db2.gz INPXYTMUQHMCJC-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCCCCNC(=O)[C@H]1CCCN1CCC ZINC000577648225 335385810 /nfs/dbraw/zinc/38/58/10/335385810.db2.gz CNBZEQHSSINPOX-CQSZACIVSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000178887566 335457906 /nfs/dbraw/zinc/45/79/06/335457906.db2.gz YJMMRAUOXSSAHU-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN OC1(CNCC#Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000581364802 336061778 /nfs/dbraw/zinc/06/17/78/336061778.db2.gz KONVIVKJRQDSCG-UHFFFAOYSA-N 0 3 297.320 2.952 20 30 CFEDHN C=CCCCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000581487634 336088133 /nfs/dbraw/zinc/08/81/33/336088133.db2.gz YFXNWAFLXUDZEJ-INIZCTEOSA-N 0 3 287.407 2.610 20 30 CFEDHN C=CC(C)(C)CNCc1cc(C(=O)OC)c(C)o1 ZINC000385217635 336142152 /nfs/dbraw/zinc/14/21/52/336142152.db2.gz REFUXYBDSJVROT-UHFFFAOYSA-N 0 3 251.326 2.676 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001085586301 782108685 /nfs/dbraw/zinc/10/86/85/782108685.db2.gz RRCDXBRQMUDMPW-ZDUSSCGKSA-N 0 3 278.421 2.779 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001085564474 782099859 /nfs/dbraw/zinc/09/98/59/782099859.db2.gz NJRQZZMUUYZZGO-HNNXBMFYSA-N 0 3 276.380 2.701 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(CC)s1 ZINC000435732151 500573571 /nfs/dbraw/zinc/57/35/71/500573571.db2.gz NTCBNRWZWKFENR-FZMZJTMJSA-N 0 3 266.410 2.776 20 30 CFEDHN N#CC1(C[C@@H](O)CN[C@@H](c2ccccn2)C2CCC2)CC1 ZINC000599573411 501029133 /nfs/dbraw/zinc/02/91/33/501029133.db2.gz HBZIGXOXISFXOG-GDBMZVCRSA-N 0 3 285.391 2.567 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc3n[nH]cc3c2)CCN1C ZINC000330030663 533763033 /nfs/dbraw/zinc/76/30/33/533763033.db2.gz RZUAZDUGDDWNAO-BXUZGUMPSA-N 0 3 286.379 2.545 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNc1ncc(C#N)cc1F ZINC000413136392 533827886 /nfs/dbraw/zinc/82/78/86/533827886.db2.gz OARGMYFDEDTMOZ-TXEJJXNPSA-N 0 3 276.359 2.767 20 30 CFEDHN C[C@@H]1CCC[C@H](CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330196438 533833776 /nfs/dbraw/zinc/83/37/76/533833776.db2.gz QFZAUPDVXAEXMQ-HZSPNIEDSA-N 0 3 290.411 2.528 20 30 CFEDHN COc1cc(CNCCCC#N)c(SC)cc1OC ZINC000344350329 533872386 /nfs/dbraw/zinc/87/23/86/533872386.db2.gz IDSWYDBPGJKIAP-UHFFFAOYSA-N 0 3 280.393 2.819 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)N1CCCCC1 ZINC000425532409 534079097 /nfs/dbraw/zinc/07/90/97/534079097.db2.gz JIQSSPBZDHIZOE-HNNXBMFYSA-N 0 3 299.418 2.954 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)C(C)(C)C ZINC000425530957 534080946 /nfs/dbraw/zinc/08/09/46/534080946.db2.gz GLOFNVSEOOAVBX-WFASDCNBSA-N 0 3 260.381 2.958 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)O ZINC000449542507 535805683 /nfs/dbraw/zinc/80/56/83/535805683.db2.gz MNTOBRRVEYWVLX-NOZJJQNGSA-N 0 3 286.297 2.826 20 30 CFEDHN Cc1ccc([O-])c(NC(=O)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000330305423 534198708 /nfs/dbraw/zinc/19/87/08/534198708.db2.gz QQNWLSRRPBQCHF-LBPRGKRZSA-N 0 3 277.368 2.948 20 30 CFEDHN Cc1ccc([O-])c(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000330305423 534198714 /nfs/dbraw/zinc/19/87/14/534198714.db2.gz QQNWLSRRPBQCHF-LBPRGKRZSA-N 0 3 277.368 2.948 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(COC)CC1 ZINC000358740887 517315459 /nfs/dbraw/zinc/31/54/59/517315459.db2.gz DBHPJMLBPAXLCI-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000347069504 534281625 /nfs/dbraw/zinc/28/16/25/534281625.db2.gz NFKSZNJDSKZNCT-SNVBAGLBSA-N 0 3 262.740 2.991 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000347058845 534284255 /nfs/dbraw/zinc/28/42/55/534284255.db2.gz BWQGGFSRZLTWSI-RKDXNWHRSA-N 0 3 268.263 2.625 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000336487436 534285061 /nfs/dbraw/zinc/28/50/61/534285061.db2.gz BIVOLRCXTPWDNS-SVRRBLITSA-N 0 3 254.742 2.665 20 30 CFEDHN Cc1ccn(C2CCN(CCC(C)(C)C#N)CC2)n1 ZINC000347123466 534318500 /nfs/dbraw/zinc/31/85/00/534318500.db2.gz OAUGICOBOQNAIK-UHFFFAOYSA-N 0 3 260.385 2.768 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2C[C@@H](N3CCCC3)C[C@H]2C)n1 ZINC000286183087 518186759 /nfs/dbraw/zinc/18/67/59/518186759.db2.gz AQJHUBUMDCFUCM-CABCVRRESA-N 0 3 284.407 2.633 20 30 CFEDHN C=CCOc1ccc(CN(C)CCOCC)cc1OC ZINC000181491336 519032894 /nfs/dbraw/zinc/03/28/94/519032894.db2.gz AGNREXLDHHUNIB-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785330 782161868 /nfs/dbraw/zinc/16/18/68/782161868.db2.gz OFKDQYDZOBDWLF-AWEZNQCLSA-N 0 3 288.391 2.879 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000335169665 519688417 /nfs/dbraw/zinc/68/84/17/519688417.db2.gz LTXCNDDFBYYDAG-HNNXBMFYSA-N 0 3 286.379 2.505 20 30 CFEDHN CC(C)N1C[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000360311480 519696995 /nfs/dbraw/zinc/69/69/95/519696995.db2.gz PRXIYIRPLBABMK-ZQIUZPCESA-N 0 3 299.418 2.507 20 30 CFEDHN CCCCCCCCCC(=O)N1CCCNCC1 ZINC000115061728 519975007 /nfs/dbraw/zinc/97/50/07/519975007.db2.gz SSDVLIZERQFSEE-UHFFFAOYSA-N 0 3 254.418 2.949 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191390133 520409015 /nfs/dbraw/zinc/40/90/15/520409015.db2.gz ZAYQLKYXCXRNPK-LSDHHAIUSA-N 0 3 275.396 2.532 20 30 CFEDHN CCNC(=O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000077170598 521747652 /nfs/dbraw/zinc/74/76/52/521747652.db2.gz UMHVQHRWZBPHEV-UHFFFAOYSA-N 0 3 293.370 2.598 20 30 CFEDHN CC[C@H](C)[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000305841295 521998058 /nfs/dbraw/zinc/99/80/58/521998058.db2.gz ZJVDYIFIAAKVNL-ZIBATOQPSA-N 0 3 264.344 2.755 20 30 CFEDHN CC[C@@H](CCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000305838597 522526680 /nfs/dbraw/zinc/52/66/80/522526680.db2.gz YCRBUVDMFRMJQJ-PWSUYJOCSA-N 0 3 250.317 2.509 20 30 CFEDHN COC1(CN(C)Cc2ccc(C#N)cc2)CCCC1 ZINC000361508243 522602968 /nfs/dbraw/zinc/60/29/68/522602968.db2.gz KGRPBFRFKJAERI-UHFFFAOYSA-N 0 3 258.365 2.949 20 30 CFEDHN CN(CCOc1ccccc1C#N)Cc1cccc(C#N)c1 ZINC000315391536 522918849 /nfs/dbraw/zinc/91/88/49/522918849.db2.gz PPCOAOPOBAEIRX-UHFFFAOYSA-N 0 3 291.354 2.941 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000227830577 523759545 /nfs/dbraw/zinc/75/95/45/523759545.db2.gz NPBZEOIJYNEKHA-VXGBXAGGSA-N 0 3 250.367 2.523 20 30 CFEDHN C[C@H]1CN(CCOc2ccccc2C#N)CC[C@@H]1C ZINC000161847433 524599759 /nfs/dbraw/zinc/59/97/59/524599759.db2.gz OPKFLJJDARTIRC-KBPBESRZSA-N 0 3 258.365 2.915 20 30 CFEDHN Cc1cc(CN2CC[C@@H](n3cccn3)C2)ccc1C#N ZINC000334839147 524705428 /nfs/dbraw/zinc/70/54/28/524705428.db2.gz LBTQHXIEYKXBCQ-MRXNPFEDSA-N 0 3 266.348 2.510 20 30 CFEDHN Cc1cc(CN[C@@H]2CCCc3nn(C)cc32)ccc1C#N ZINC000334298194 524771448 /nfs/dbraw/zinc/77/14/48/524771448.db2.gz BGNDSSCJZMRBOO-MRXNPFEDSA-N 0 3 280.375 2.767 20 30 CFEDHN C[C@@H]1COCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000305855801 525133394 /nfs/dbraw/zinc/13/33/94/525133394.db2.gz DVQPCAZYCBFWQP-YGRLFVJLSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@H](NCc1ccc(C#N)o1)[C@H]1COc2ccccc21 ZINC000169148547 525437471 /nfs/dbraw/zinc/43/74/71/525437471.db2.gz FKZBXTTTWABVDP-XHDPSFHLSA-N 0 3 268.316 2.806 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CS1 ZINC000335188608 525441813 /nfs/dbraw/zinc/44/18/13/525441813.db2.gz DZNWXKLYMXEPDV-SKDRFNHKSA-N 0 3 250.342 2.681 20 30 CFEDHN Cc1cccnc1C1(CNCc2ccc(C#N)o2)CC1 ZINC000365830013 525508311 /nfs/dbraw/zinc/50/83/11/525508311.db2.gz DXQGLHGWIBHJOK-UHFFFAOYSA-N 0 3 267.332 2.676 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000228727616 525792435 /nfs/dbraw/zinc/79/24/35/525792435.db2.gz BDUAHLKOXLZVGZ-WFASDCNBSA-N 0 3 276.355 2.823 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000228727638 525820772 /nfs/dbraw/zinc/82/07/72/525820772.db2.gz BDUAHLKOXLZVGZ-SWLSCSKDSA-N 0 3 276.355 2.823 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000228727611 525821116 /nfs/dbraw/zinc/82/11/16/525821116.db2.gz BDUAHLKOXLZVGZ-DOMZBBRYSA-N 0 3 276.355 2.823 20 30 CFEDHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000360275262 525943129 /nfs/dbraw/zinc/94/31/29/525943129.db2.gz AEJNZASUKNGTDP-JKIFEVAISA-N 0 3 299.418 2.603 20 30 CFEDHN CC(C(=O)Nc1cnc(C#N)c(Cl)c1)C(F)(F)F ZINC000336283755 526170394 /nfs/dbraw/zinc/17/03/94/526170394.db2.gz UYMWXZXPBVFTDY-RXMQYKEDSA-N 0 3 277.633 2.744 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000352002893 526444610 /nfs/dbraw/zinc/44/46/10/526444610.db2.gz JBDHZMZKGNIQPJ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000352122833 526445426 /nfs/dbraw/zinc/44/54/26/526445426.db2.gz IXXRYFMHDIQJCI-OAHLLOKOSA-N 0 3 258.365 2.516 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352802955 526558604 /nfs/dbraw/zinc/55/86/04/526558604.db2.gz XDKLGRBMJAEJKI-LSDHHAIUSA-N 0 3 293.407 2.965 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000106040082 526583068 /nfs/dbraw/zinc/58/30/68/526583068.db2.gz RGAGNDZXAQNGFQ-UHFFFAOYSA-N 0 3 290.382 2.525 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000336440211 526617329 /nfs/dbraw/zinc/61/73/29/526617329.db2.gz BBPRDCANJCQNNU-HIFRSBDPSA-N 0 3 274.339 2.556 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000156357803 526617733 /nfs/dbraw/zinc/61/77/33/526617733.db2.gz ADBMHEIJSJNYSB-QGZVFWFLSA-N 0 3 279.343 2.607 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2n2cccn2)o1 ZINC000173573128 526626438 /nfs/dbraw/zinc/62/64/38/526626438.db2.gz MWDOQGGZYAFGQA-LSDHHAIUSA-N 0 3 270.336 2.621 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000334978048 526735098 /nfs/dbraw/zinc/73/50/98/526735098.db2.gz XXJJSUDCOACIFA-IAGOWNOFSA-N 0 3 270.376 2.807 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000334945747 526735790 /nfs/dbraw/zinc/73/57/90/526735790.db2.gz TWKOGVJRHYLLBU-CVEARBPZSA-N 0 3 256.349 2.559 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334784974 526737321 /nfs/dbraw/zinc/73/73/21/526737321.db2.gz AVXHKEALQIRRCU-ZWKOTPCHSA-N 0 3 284.403 2.931 20 30 CFEDHN N#Cc1ccccc1OCCN1CCCO[C@@H]2CCC[C@@H]21 ZINC000363697391 526746982 /nfs/dbraw/zinc/74/69/82/526746982.db2.gz YKDFIMCWGHUWHV-DOTOQJQBSA-N 0 3 286.375 2.580 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](c2nccs2)C1 ZINC000347967460 526752824 /nfs/dbraw/zinc/75/28/24/526752824.db2.gz OPHZTPIDLAFYQG-CYBMUJFWSA-N 0 3 266.410 2.915 20 30 CFEDHN C=CCOCCCN1CCCN(c2ccccc2F)CC1 ZINC000353258985 526753060 /nfs/dbraw/zinc/75/30/60/526753060.db2.gz MLNUGZNRXDPQQU-UHFFFAOYSA-N 0 3 292.398 2.931 20 30 CFEDHN N#Cc1csc(CN2CCC[C@]3(CCOC3)C2)c1 ZINC000336224825 526781462 /nfs/dbraw/zinc/78/14/62/526781462.db2.gz GTEIFCGOVQEREM-AWEZNQCLSA-N 0 3 262.378 2.622 20 30 CFEDHN C=C(CC)CN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000347640660 526861896 /nfs/dbraw/zinc/86/18/96/526861896.db2.gz QCFGKIIOWDWZCC-RHSMWYFYSA-N 0 3 251.395 2.662 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](O)CC2)cc1 ZINC000354751647 526867209 /nfs/dbraw/zinc/86/72/09/526867209.db2.gz CNJDMAOMHJKIFI-OAHLLOKOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCOc1ccc(CNCCN2CCC2)cc1Cl ZINC000344843439 526885428 /nfs/dbraw/zinc/88/54/28/526885428.db2.gz FVZPJNJEZWHGFH-UHFFFAOYSA-N 0 3 280.799 2.700 20 30 CFEDHN C=CCOc1ccc(CNCCCC#N)cc1OC ZINC000344320365 526886253 /nfs/dbraw/zinc/88/62/53/526886253.db2.gz CVQGXJRFSNZXLT-UHFFFAOYSA-N 0 3 260.337 2.653 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000350684628 526992241 /nfs/dbraw/zinc/99/22/41/526992241.db2.gz YYEQJFSLAPNGHY-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(OC)nc1OC ZINC000353559969 527033049 /nfs/dbraw/zinc/03/30/49/527033049.db2.gz MOWDXLUCFSSHAG-VXGBXAGGSA-N 0 3 264.369 2.789 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@]3(CCN(C)C3)C2)CCCC1 ZINC000334634367 527048981 /nfs/dbraw/zinc/04/89/81/527048981.db2.gz MSRGJNSYPWCJOH-INIZCTEOSA-N 0 3 276.424 2.677 20 30 CFEDHN C=CCCC1(C(=O)N(C)C[C@@H]2CCCN(C)C2)CC1 ZINC000356142613 527080525 /nfs/dbraw/zinc/08/05/25/527080525.db2.gz AJLSIXSZVWJOBF-CQSZACIVSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCCC1(C(=O)NCCN(C)CCCC)CC1 ZINC000355973004 527088391 /nfs/dbraw/zinc/08/83/91/527088391.db2.gz TZTMUWMHFUJJPM-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCCCCNCc1ncc(CN(C)C)s1 ZINC000352732931 527169428 /nfs/dbraw/zinc/16/94/28/527169428.db2.gz AHKRNOOEEUDTCO-UHFFFAOYSA-N 0 3 253.415 2.651 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)o1)c1cccnc1 ZINC000414562789 527171215 /nfs/dbraw/zinc/17/12/15/527171215.db2.gz VLBNMMZCBBURQK-UHFFFAOYSA-N 0 3 255.321 2.614 20 30 CFEDHN C=CC[C@H](CO)CNCc1ncc(C(C)C)s1 ZINC000344319256 527187545 /nfs/dbraw/zinc/18/75/45/527187545.db2.gz BQDSTCAUAZMRCC-NSHDSACASA-N 0 3 254.399 2.541 20 30 CFEDHN C=CCCN(CC(=O)N1CCCCCC1)C(C)C ZINC000353201191 527324703 /nfs/dbraw/zinc/32/47/03/527324703.db2.gz LXRBOXYUFZGHHK-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCC[C@@H](NCc1ccc(OC)nc1OC)C1CC1 ZINC000353575979 527449593 /nfs/dbraw/zinc/44/95/93/527449593.db2.gz MBJRLHDFWJFXAI-CQSZACIVSA-N 0 3 276.380 2.933 20 30 CFEDHN Cc1nccnc1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000340491516 527451865 /nfs/dbraw/zinc/45/18/65/527451865.db2.gz FHZNHZXWGHBTSI-NSHDSACASA-N 0 3 284.338 2.689 20 30 CFEDHN CC(C)(C#N)CCCN[C@@H](CO)c1ccsc1 ZINC000352033157 527463773 /nfs/dbraw/zinc/46/37/73/527463773.db2.gz QVJJTJQLOIDYHP-LBPRGKRZSA-N 0 3 252.383 2.701 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000334882450 527602119 /nfs/dbraw/zinc/60/21/19/527602119.db2.gz KIUBAMCUKKBPCC-HNNXBMFYSA-N 0 3 271.364 2.862 20 30 CFEDHN CC(C)OC(=O)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425533822 527778500 /nfs/dbraw/zinc/77/85/00/527778500.db2.gz LHFLTGAMADOQKU-CYBMUJFWSA-N 0 3 274.364 2.893 20 30 CFEDHN CCC1CCC([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330183277 527823077 /nfs/dbraw/zinc/82/30/77/527823077.db2.gz PTOFSYIAKUZWIQ-JXQTWKCFSA-N 0 3 290.411 2.670 20 30 CFEDHN CCC1CCC(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330183277 527823081 /nfs/dbraw/zinc/82/30/81/527823081.db2.gz PTOFSYIAKUZWIQ-JXQTWKCFSA-N 0 3 290.411 2.670 20 30 CFEDHN CC(C)COC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535885 528102372 /nfs/dbraw/zinc/10/23/72/528102372.db2.gz HWZBQOJGQLQHAM-YOEHRIQHSA-N 0 3 290.407 2.585 20 30 CFEDHN CC1=C[C@@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000334863545 528128903 /nfs/dbraw/zinc/12/89/03/528128903.db2.gz LSFBSBHAYSHRPO-CXAGYDPISA-N 0 3 293.370 2.665 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccnc1C ZINC001085794308 782166073 /nfs/dbraw/zinc/16/60/73/782166073.db2.gz XBCQBUABKKEBDA-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN CCOc1ccccc1C1=CCN(C(=O)C(C)C#N)CC1 ZINC000347039730 528713258 /nfs/dbraw/zinc/71/32/58/528713258.db2.gz PYBLWFRMGROAAQ-CYBMUJFWSA-N 0 3 284.359 2.861 20 30 CFEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CCC)CC1 ZINC001085802421 782167492 /nfs/dbraw/zinc/16/74/92/782167492.db2.gz SRIRTKSVKPDIGF-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN CCN(Cc1ccccc1Cl)C(=O)C(C)C#N ZINC000347061172 528838750 /nfs/dbraw/zinc/83/87/50/528838750.db2.gz DIKRCNCETIGFGZ-JTQLQIEISA-N 0 3 250.729 2.848 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1cccc(OC)c1 ZINC000353835009 529051231 /nfs/dbraw/zinc/05/12/31/529051231.db2.gz CFRKAXMXUAFDCZ-NEPJUHHUSA-N 0 3 260.337 2.764 20 30 CFEDHN CC(C)N(CC(=O)NCc1cccc(C#N)c1)CC1CCC1 ZINC000444765605 535037807 /nfs/dbraw/zinc/03/78/07/535037807.db2.gz KZKKQXJHXBKUAI-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN CCCNC(=O)[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246319668 535120916 /nfs/dbraw/zinc/12/09/16/535120916.db2.gz HDIQYISYADBRON-PBHICJAKSA-N 0 3 299.418 2.857 20 30 CFEDHN CC(C)N1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000450376761 535266380 /nfs/dbraw/zinc/26/63/80/535266380.db2.gz HNOKMOQXOQAIMM-FZMZJTMJSA-N 0 3 288.351 2.607 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)s1 ZINC000449752485 535754384 /nfs/dbraw/zinc/75/43/84/535754384.db2.gz CJXOPTUVEFWWOY-CHWSQXEVSA-N 0 3 250.367 2.667 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000269436753 536591612 /nfs/dbraw/zinc/59/16/12/536591612.db2.gz RJWMCFDWILROKV-LSDHHAIUSA-N 0 3 262.328 2.745 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@H](OC)C12CCC2 ZINC000459753193 536646375 /nfs/dbraw/zinc/64/63/75/536646375.db2.gz IVUWSLRAVMPZQI-HOTGVXAUSA-N 0 3 286.375 2.614 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000459764396 536797347 /nfs/dbraw/zinc/79/73/47/536797347.db2.gz OKUDKIOPJYQKEL-HUUCEWRRSA-N 0 3 274.339 2.745 20 30 CFEDHN COC(=O)[C@]12CN(Cc3ccccc3C#N)C[C@H]1CCCC2 ZINC000342126468 536845128 /nfs/dbraw/zinc/84/51/28/536845128.db2.gz QEEFYILNUFQUHB-SJLPKXTDSA-N 0 3 298.386 2.723 20 30 CFEDHN C=CCCOCCNCc1ccc2cnccc2c1 ZINC000226386274 545519632 /nfs/dbraw/zinc/51/96/32/545519632.db2.gz IMQJDUQHLRWCNM-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2cc[nH]c21 ZINC001085830385 782178519 /nfs/dbraw/zinc/17/85/19/782178519.db2.gz XROULQXYSVQJAO-OAHLLOKOSA-N 0 3 297.402 2.890 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccco1 ZINC000744029251 574049733 /nfs/dbraw/zinc/04/97/33/574049733.db2.gz QKALYQQZLVQBKG-DGCLKSJQSA-N 0 3 282.299 2.731 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(C)c1 ZINC000753930094 574055673 /nfs/dbraw/zinc/05/56/73/574055673.db2.gz UXSIAFOCZYJKNH-GASCZTMLSA-N 0 3 270.380 2.579 20 30 CFEDHN c1ccc2c(c1)CCCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753935254 574055980 /nfs/dbraw/zinc/05/59/80/574055980.db2.gz MXNFCCCGYQAPQN-CALCHBBNSA-N 0 3 296.418 2.977 20 30 CFEDHN c1ccc2c(c1)CCCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753935256 574056006 /nfs/dbraw/zinc/05/60/06/574056006.db2.gz MXNFCCCGYQAPQN-IRXDYDNUSA-N 0 3 296.418 2.977 20 30 CFEDHN CC(CSC(C)(C)C)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753937379 574056126 /nfs/dbraw/zinc/05/61/26/574056126.db2.gz XBYPJMFYSDACKJ-TXEJJXNPSA-N 0 3 282.457 2.754 20 30 CFEDHN Cc1ccccc1C(=NNC1=N[C@@H]2CCCC[C@H]2N1)C1CC1 ZINC000753934612 574056207 /nfs/dbraw/zinc/05/62/07/574056207.db2.gz IRLNENKIHFOHQP-HZPDHXFCSA-N 0 3 296.418 2.969 20 30 CFEDHN CCN(CCOc1ccccc1C#N)CCc1ccccn1 ZINC000744195597 574060038 /nfs/dbraw/zinc/06/00/38/574060038.db2.gz JIXPGAVUFOEFBX-UHFFFAOYSA-N 0 3 295.386 2.897 20 30 CFEDHN CCCCCCCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000727742580 574063177 /nfs/dbraw/zinc/06/31/77/574063177.db2.gz ZHCCQDZNNOXQBE-ZDUSSCGKSA-N 0 3 254.418 2.946 20 30 CFEDHN C#C[C@H](N[C@@H]1CS[C@@H](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000754149269 574077999 /nfs/dbraw/zinc/07/79/99/574077999.db2.gz LTCQDAHCUFGBTO-XDQVBPFNSA-N 0 3 267.438 2.677 20 30 CFEDHN Cc1c(N=NC2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000753961715 574083755 /nfs/dbraw/zinc/08/37/55/574083755.db2.gz ZFOFPWRDTCDCNZ-JTQLQIEISA-N 0 3 288.351 2.928 20 30 CFEDHN CC(C)N1CC(N=Nc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000754254669 574084754 /nfs/dbraw/zinc/08/47/54/574084754.db2.gz OCMUBZFDEZVREV-NSHDSACASA-N 0 3 271.368 2.691 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000754748692 574118095 /nfs/dbraw/zinc/11/80/95/574118095.db2.gz RHTUYAXBSQUYLU-CYBMUJFWSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000754748692 574118096 /nfs/dbraw/zinc/11/80/96/574118096.db2.gz RHTUYAXBSQUYLU-CYBMUJFWSA-N 0 3 291.391 2.598 20 30 CFEDHN N#CCCNC(=O)CN[C@H](c1ccccc1)C1CCCC1 ZINC000731845764 574130489 /nfs/dbraw/zinc/13/04/89/574130489.db2.gz JTMGGYLVLBIHSS-QGZVFWFLSA-N 0 3 285.391 2.537 20 30 CFEDHN N#CC(C(=O)C=C1CCCC1)c1nnc2n1CCCCC2 ZINC000746416229 574148503 /nfs/dbraw/zinc/14/85/03/574148503.db2.gz LMODBEWDAGDXCH-ZDUSSCGKSA-N 0 3 284.363 2.681 20 30 CFEDHN C#CCN(CC)Cc1cccc(CN(CC)CC#C)c1 ZINC000746457071 574149219 /nfs/dbraw/zinc/14/92/19/574149219.db2.gz VPBAKVMLYDOPNR-UHFFFAOYSA-N 0 3 268.404 2.597 20 30 CFEDHN C#CCN(CC)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000746457550 574149606 /nfs/dbraw/zinc/14/96/06/574149606.db2.gz HPIZZJHFUBCXNT-QGZVFWFLSA-N 0 3 284.403 2.525 20 30 CFEDHN C#CCN(CC)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000746457579 574149994 /nfs/dbraw/zinc/14/99/94/574149994.db2.gz JTEDZCZTRFGUSZ-UHFFFAOYSA-N 0 3 271.316 2.675 20 30 CFEDHN COc1ccc(CNCc2cccc(OC)c2O)cc1C#N ZINC000746740968 574165137 /nfs/dbraw/zinc/16/51/37/574165137.db2.gz JQIOMJNKUGBZHV-UHFFFAOYSA-N 0 3 298.342 2.571 20 30 CFEDHN CCc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)n[nH]1 ZINC000738431757 574169302 /nfs/dbraw/zinc/16/93/02/574169302.db2.gz WTDGAPYNEVUJAO-LBPRGKRZSA-N 0 3 284.363 2.553 20 30 CFEDHN Cc1ncc(C=CC(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000732899657 574176951 /nfs/dbraw/zinc/17/69/51/574176951.db2.gz AAYIJDPHQXKCPJ-MUBLQREKSA-N 0 3 298.371 2.748 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cc(F)c(F)c(F)c1 ZINC000755891662 574194826 /nfs/dbraw/zinc/19/48/26/574194826.db2.gz JYZVBDBQSDANCW-MRVPVSSYSA-N 0 3 283.297 2.986 20 30 CFEDHN CCCCCCCOc1cccc(C=NNC(=N)N)c1 ZINC000747601941 574202655 /nfs/dbraw/zinc/20/26/55/574202655.db2.gz GGURPOBJWFSKAX-UHFFFAOYSA-N 0 3 276.384 2.853 20 30 CFEDHN Fc1ccc(/C=C\C=NNCCN2CCCCC2)cc1 ZINC000747752786 574210394 /nfs/dbraw/zinc/21/03/94/574210394.db2.gz DWEKQXSZOOAJHR-DLRRHIBLSA-N 0 3 275.371 2.900 20 30 CFEDHN C=CCN(CCC1OCCCO1)Cc1cccs1 ZINC000748046164 574226395 /nfs/dbraw/zinc/22/63/95/574226395.db2.gz FUNOERCBWPVWBJ-UHFFFAOYSA-N 0 3 267.394 2.889 20 30 CFEDHN N#CCOc1ccc(CNCc2n[nH]c3ccccc23)cc1 ZINC000729685312 574228735 /nfs/dbraw/zinc/22/87/35/574228735.db2.gz GUNXFZFIXMDELB-UHFFFAOYSA-N 0 3 292.342 2.755 20 30 CFEDHN N#CCOc1ccc(CNCc2[nH]nc3ccccc32)cc1 ZINC000729685312 574228737 /nfs/dbraw/zinc/22/87/37/574228737.db2.gz GUNXFZFIXMDELB-UHFFFAOYSA-N 0 3 292.342 2.755 20 30 CFEDHN N#Cc1csc(CNC[C@H](O)c2c(F)cccc2F)c1 ZINC000748099549 574229010 /nfs/dbraw/zinc/22/90/10/574229010.db2.gz YGRWYKDGSNXHJS-ZDUSSCGKSA-N 0 3 294.326 2.721 20 30 CFEDHN C=C(C)CN1CCC(NC(=S)NC2CCCCC2)CC1 ZINC000729942642 574239529 /nfs/dbraw/zinc/23/95/29/574239529.db2.gz QFACMQHHVHFWLJ-UHFFFAOYSA-N 0 3 295.496 2.824 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1csc2ccccc21 ZINC000730021545 574242376 /nfs/dbraw/zinc/24/23/76/574242376.db2.gz ILSDFWMHSTXSDX-NEPJUHHUSA-N 0 3 286.400 2.690 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C(/C)c2ccccc2)CC1 ZINC000740737563 574264831 /nfs/dbraw/zinc/26/48/31/574264831.db2.gz QVDMSFWJNVZJPT-NXVVXOECSA-N 0 3 296.414 2.694 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cc(C)ncn2)c([O-])c1 ZINC000756840669 574267697 /nfs/dbraw/zinc/26/76/97/574267697.db2.gz FLOZDTFKDUTBOZ-VCHYOVAHSA-N 0 3 298.390 2.956 20 30 CFEDHN COC(=O)/C(C)=C/CN(Cc1ccc(C#N)cc1)C(C)C ZINC000748815379 574268808 /nfs/dbraw/zinc/26/88/08/574268808.db2.gz MGWUFTHIUWUGCD-NTEUORMPSA-N 0 3 286.375 2.888 20 30 CFEDHN Cc1nnc(C)n1N=C[C@H](C)CCc1ccccc1 ZINC000749157761 574282852 /nfs/dbraw/zinc/28/28/52/574282852.db2.gz DESXAOBERDCFNT-GFCCVEGCSA-N 0 3 256.353 2.998 20 30 CFEDHN CCC(CC)NN=Cc1ccc(N(CC)CCO)cc1C ZINC000734364785 574283806 /nfs/dbraw/zinc/28/38/06/574283806.db2.gz FSEDLEUHQAVJBN-UHFFFAOYSA-N 0 3 291.439 2.926 20 30 CFEDHN C=CCOC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000741315264 574286729 /nfs/dbraw/zinc/28/67/29/574286729.db2.gz FNRBSRVUGYYCPX-HNNXBMFYSA-N 0 3 259.349 2.628 20 30 CFEDHN C[C@H]1CC(N=Nc2c(F)c(F)nc(F)c2F)CCN1C ZINC000741455362 574290718 /nfs/dbraw/zinc/29/07/18/574290718.db2.gz BRBGGJSRXWZKKQ-LURJTMIESA-N 0 3 290.264 2.520 20 30 CFEDHN C[C@@H]1CC(=NNCc2ccc(F)c(F)c2)CCN1C ZINC000741461551 574291174 /nfs/dbraw/zinc/29/11/74/574291174.db2.gz JXJYDEJJEPCFLP-SNVBAGLBSA-N 0 3 267.323 2.525 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN[C@H](C)CO)cc1 ZINC000749817575 574310772 /nfs/dbraw/zinc/31/07/72/574310772.db2.gz KFWQQDQAMFAWFX-CQSZACIVSA-N 0 3 277.412 2.617 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cccc1 ZINC000735208971 574316484 /nfs/dbraw/zinc/31/64/84/574316484.db2.gz PPQCFYJVXHFDQO-ZFWWWQNUSA-N 0 3 295.342 2.787 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C=CCCC1 ZINC000735419836 574323803 /nfs/dbraw/zinc/32/38/03/574323803.db2.gz IXCMEPYYDCZBCX-MRXNPFEDSA-N 0 3 295.390 2.963 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C=CCCC1 ZINC000735419836 574323805 /nfs/dbraw/zinc/32/38/05/574323805.db2.gz IXCMEPYYDCZBCX-MRXNPFEDSA-N 0 3 295.390 2.963 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C=CCCC1 ZINC000735419830 574323925 /nfs/dbraw/zinc/32/39/25/574323925.db2.gz IXCMEPYYDCZBCX-INIZCTEOSA-N 0 3 295.390 2.963 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C=CCCC1 ZINC000735419830 574323926 /nfs/dbraw/zinc/32/39/26/574323926.db2.gz IXCMEPYYDCZBCX-INIZCTEOSA-N 0 3 295.390 2.963 20 30 CFEDHN C=CCOc1ccc(CNC[C@](C)(O)c2ccco2)cc1 ZINC000742375156 574325765 /nfs/dbraw/zinc/32/57/65/574325765.db2.gz JMVBESQNVJCWMK-KRWDZBQOSA-N 0 3 287.359 2.842 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)nc1 ZINC000755891493 574361799 /nfs/dbraw/zinc/36/17/99/574361799.db2.gz HGVUKZBICFDTIZ-VIFPVBQESA-N 0 3 264.760 2.617 20 30 CFEDHN COc1ccc(N=NC2CN(C(C)C)C[C@H]2C)cc1 ZINC000750921901 574362835 /nfs/dbraw/zinc/36/28/35/574362835.db2.gz LUMCBBWRMGTMRK-GFCCVEGCSA-N 0 3 261.369 2.823 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2coc3ccccc23)CC1 ZINC000743493300 574366848 /nfs/dbraw/zinc/36/68/48/574366848.db2.gz MQOGAODHRYULLJ-UHFFFAOYSA-N 0 3 296.370 2.650 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H](C)S1 ZINC000743856991 574374539 /nfs/dbraw/zinc/37/45/39/574374539.db2.gz QXXQCANOPLGKFV-CHWSQXEVSA-N 0 3 276.405 2.915 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CC1CC1 ZINC000744011231 574375802 /nfs/dbraw/zinc/37/58/02/574375802.db2.gz XOVBEIBJIZDTED-JLVNDZCYSA-N 0 3 265.316 2.716 20 30 CFEDHN C[C@@H]1C[C@H](C)CN([C@H]2CCCCC2=NN2CCOCC2)C1 ZINC000751517440 574378147 /nfs/dbraw/zinc/37/81/47/574378147.db2.gz WOCXDQUFHLMOLD-UXLLHSPISA-N 0 3 293.455 2.595 20 30 CFEDHN CCOCCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000751825358 574383373 /nfs/dbraw/zinc/38/33/73/574383373.db2.gz KESACTKURLMNNM-JTQLQIEISA-N 0 3 274.345 2.899 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOCC3CC3)nc21 ZINC000751844447 574383677 /nfs/dbraw/zinc/38/36/77/574383677.db2.gz QJFDDAHFTWTOAU-CYBMUJFWSA-N 0 3 297.358 2.864 20 30 CFEDHN C[C@@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000751927471 574385274 /nfs/dbraw/zinc/38/52/74/574385274.db2.gz ZDUCYJBOJZTEFT-CYBMUJFWSA-N 0 3 266.348 2.864 20 30 CFEDHN C#CCNC(=O)CN1CCCC[C@H]1CCCc1ccccc1 ZINC000752082280 574387738 /nfs/dbraw/zinc/38/77/38/574387738.db2.gz BKUNXWUEHUGFBR-SFHVURJKSA-N 0 3 298.430 2.613 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000752101846 574388104 /nfs/dbraw/zinc/38/81/04/574388104.db2.gz POARQWMALLNNMN-MGPQQGTHSA-N 0 3 290.363 2.634 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000752131293 574388300 /nfs/dbraw/zinc/38/83/00/574388300.db2.gz XRVDQUWCXIJLEI-FQEVSTJZSA-N 0 3 291.394 2.956 20 30 CFEDHN C=CCCCCCCCNC(=O)C1CCN(C)CC1 ZINC000752988031 574397110 /nfs/dbraw/zinc/39/71/10/574397110.db2.gz YVAUQWOQIRKDKX-UHFFFAOYSA-N 0 3 266.429 2.971 20 30 CFEDHN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC(C)(C)CCC#N ZINC000825976017 608524514 /nfs/dbraw/zinc/52/45/14/608524514.db2.gz FLFVPWMNBGSXML-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC(C)(C)CCC#N ZINC000825976017 608524516 /nfs/dbraw/zinc/52/45/16/608524516.db2.gz FLFVPWMNBGSXML-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC(C)(C)CCC#N ZINC000825976017 608524519 /nfs/dbraw/zinc/52/45/19/608524519.db2.gz FLFVPWMNBGSXML-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC(C)(C)CCC#N ZINC000825976017 608524521 /nfs/dbraw/zinc/52/45/21/608524521.db2.gz FLFVPWMNBGSXML-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001007305616 651133386 /nfs/dbraw/zinc/13/33/86/651133386.db2.gz XAFFKZOUHWUHLL-HNNXBMFYSA-N 0 3 262.397 2.644 20 30 CFEDHN C=CCCC[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823893987 608131827 /nfs/dbraw/zinc/13/18/27/608131827.db2.gz DAEOZZHAPJHSEP-SNVBAGLBSA-N 0 3 275.331 2.623 20 30 CFEDHN C=CCCC[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823893987 608131828 /nfs/dbraw/zinc/13/18/28/608131828.db2.gz DAEOZZHAPJHSEP-SNVBAGLBSA-N 0 3 275.331 2.623 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC000969375080 612960708 /nfs/dbraw/zinc/96/07/08/612960708.db2.gz BTYJHEBAPHFIHS-MRXNPFEDSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(CC)cc2)C1 ZINC000969933149 612960817 /nfs/dbraw/zinc/96/08/17/612960817.db2.gz FWFJBNGCQQKJME-CRAIPNDOSA-N 0 3 298.430 2.566 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC000970815242 612965920 /nfs/dbraw/zinc/96/59/20/612965920.db2.gz CRPBYKABTDNMDH-RHSMWYFYSA-N 0 3 284.403 2.637 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970850200 612994393 /nfs/dbraw/zinc/99/43/93/612994393.db2.gz YOACSDZXIBKMHC-MRXNPFEDSA-N 0 3 298.430 2.685 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccccc2C(C)C)C1 ZINC000969800551 612997924 /nfs/dbraw/zinc/99/79/24/612997924.db2.gz FYELAAGHQIFLJF-HNNXBMFYSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1cccs1 ZINC000968738289 613001280 /nfs/dbraw/zinc/00/12/80/613001280.db2.gz RJWOVSVEOFYGHR-CQSZACIVSA-N 0 3 290.432 2.746 20 30 CFEDHN C#CCCN1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000980651561 613002591 /nfs/dbraw/zinc/00/25/91/613002591.db2.gz SGQIHMQGPATXQS-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964774652 613015110 /nfs/dbraw/zinc/01/51/10/613015110.db2.gz QNXNXRKSXNNVST-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887273 613023954 /nfs/dbraw/zinc/02/39/54/613023954.db2.gz USFLVGNQMGTMRV-WMLDXEAASA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977628994 613031323 /nfs/dbraw/zinc/03/13/23/613031323.db2.gz YDIUVVGIHYTKFU-MRXNPFEDSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972973215 613031438 /nfs/dbraw/zinc/03/14/38/613031438.db2.gz OCPNYCORNILQOA-MRXNPFEDSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974488802 613037127 /nfs/dbraw/zinc/03/71/27/613037127.db2.gz FBQBYQWKRAKHSU-INIZCTEOSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000948607918 613178428 /nfs/dbraw/zinc/17/84/28/613178428.db2.gz HVWODNCUODKXEP-ARFHVFGLSA-N 0 3 290.451 2.615 20 30 CFEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCCCN2CC=C)cc1 ZINC000968980022 613179191 /nfs/dbraw/zinc/17/91/91/613179191.db2.gz OTZVSOSJQAPALW-SFHVURJKSA-N 0 3 296.414 2.828 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C ZINC000948086629 613222782 /nfs/dbraw/zinc/22/27/82/613222782.db2.gz RJJUWSLAETTZHU-ZIAGYGMSSA-N 0 3 290.451 2.661 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCC2)C[C@@H]1C ZINC000947130744 613224488 /nfs/dbraw/zinc/22/44/88/613224488.db2.gz LRVULVGBYHIVKV-GOEBONIOSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C[C@H]1C ZINC000948078780 613237032 /nfs/dbraw/zinc/23/70/32/613237032.db2.gz NWPHUYAQLHIGOO-RDTXWAMCSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2CCC)C[C@H]1C ZINC000947533476 613238034 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618224200 /nfs/dbraw/zinc/22/42/00/618224200.db2.gz FKECFGSMNHFZRR-QQFBHYJXSA-N 0 3 290.451 2.520 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)c1cnn(C)n1 ZINC000926591656 618224370 /nfs/dbraw/zinc/22/43/70/618224370.db2.gz MZBMQYGFHSBILV-ZFWWWQNUSA-N 0 3 270.380 2.653 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H]1CCCc2oc(C)nc21 ZINC000926612139 618235299 /nfs/dbraw/zinc/23/52/99/618235299.db2.gz YSMJLDGNTHPKMV-XQQFMLRXSA-N 0 3 262.353 2.541 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)c2ccccc2F)s1 ZINC000176953463 618246714 /nfs/dbraw/zinc/24/67/14/618246714.db2.gz SWVVIGJAEDNXBN-AWEZNQCLSA-N 0 3 276.336 2.582 20 30 CFEDHN C#CCN(Cc1c(C)ccnc1N)C1CCCCC1 ZINC000893977491 618258494 /nfs/dbraw/zinc/25/84/94/618258494.db2.gz DHNSSXVHRMABAQ-UHFFFAOYSA-N 0 3 257.381 2.740 20 30 CFEDHN C#CCSCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000194105808 618291539 /nfs/dbraw/zinc/29/15/39/618291539.db2.gz OCMOVRSUQQFFJT-CQSZACIVSA-N 0 3 283.824 2.984 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001024375095 618301769 /nfs/dbraw/zinc/30/17/69/618301769.db2.gz LXZLAAJFGWNJQD-INIZCTEOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=CCCCCC[C@@H](C)N[C@H](C)c1ncnn1C ZINC000793557599 618302076 /nfs/dbraw/zinc/30/20/76/618302076.db2.gz OEVMWUSNQWQKCC-CHWSQXEVSA-N 0 3 250.390 2.991 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cccc1Cl ZINC000930872404 618305679 /nfs/dbraw/zinc/30/56/79/618305679.db2.gz IWCSZZSSFSMQLA-UHFFFAOYSA-N 0 3 293.798 2.725 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001024401378 618306870 /nfs/dbraw/zinc/30/68/70/618306870.db2.gz AXJPWTXLENLVJY-HNNXBMFYSA-N 0 3 276.380 2.748 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001024425951 618311724 /nfs/dbraw/zinc/31/17/24/618311724.db2.gz PNMGTKLVRUFWMT-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](CC)C(=O)OC ZINC000895119861 618326770 /nfs/dbraw/zinc/32/67/70/618326770.db2.gz GAFXUZIKCGQXMX-CYBMUJFWSA-N 0 3 277.364 2.540 20 30 CFEDHN C#C[C@H](NCCc1c(F)cccc1Cl)[C@@H]1CCCO1 ZINC000775793136 618377670 /nfs/dbraw/zinc/37/76/70/618377670.db2.gz VLEGGJGWLOGRBI-GJZGRUSLSA-N 0 3 281.758 2.792 20 30 CFEDHN C=C1CCC(C(=O)C(C#N)C(=O)NC2CCCCC2)CC1 ZINC000892492775 618380201 /nfs/dbraw/zinc/38/02/01/618380201.db2.gz XLYKGRCKIROSCM-HNNXBMFYSA-N 0 3 288.391 2.891 20 30 CFEDHN COC(=O)CC1(NCc2csc(C#N)c2)CCCC1 ZINC000894142191 618392177 /nfs/dbraw/zinc/39/21/77/618392177.db2.gz MEGWSDIXIRQJIG-UHFFFAOYSA-N 0 3 278.377 2.585 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024629232 618426904 /nfs/dbraw/zinc/42/69/04/618426904.db2.gz AAFRQJGPEZBNCH-AEFFLSMTSA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683319 618440291 /nfs/dbraw/zinc/44/02/91/618440291.db2.gz OXWJHIHMKXCCKT-HUUCEWRRSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683317 618440692 /nfs/dbraw/zinc/44/06/92/618440692.db2.gz OXWJHIHMKXCCKT-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683320 618440829 /nfs/dbraw/zinc/44/08/29/618440829.db2.gz OXWJHIHMKXCCKT-LSDHHAIUSA-N 0 3 276.424 2.723 20 30 CFEDHN C#CCCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000177561362 618449670 /nfs/dbraw/zinc/44/96/70/618449670.db2.gz XRLWFCCFWWPBQF-UHFFFAOYSA-N 0 3 298.180 2.666 20 30 CFEDHN O=C(OCC#CC1CCCCC1)C1CCN(C2CC2)CC1 ZINC000814094818 618454001 /nfs/dbraw/zinc/45/40/01/618454001.db2.gz XKAWRXKFOAFSBU-UHFFFAOYSA-N 0 3 289.419 2.988 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001024785840 618469585 /nfs/dbraw/zinc/46/95/85/618469585.db2.gz RIFSGGUTKVCDBS-KRWDZBQOSA-N 0 3 298.430 2.911 20 30 CFEDHN N#Cc1csc(CNC[C@@H](O)c2cccc(F)c2)c1 ZINC000177691280 618473006 /nfs/dbraw/zinc/47/30/06/618473006.db2.gz JGJMUURULKPDCE-CQSZACIVSA-N 0 3 276.336 2.582 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024804308 618475128 /nfs/dbraw/zinc/47/51/28/618475128.db2.gz CPSRWBFLGZJCAG-KRWDZBQOSA-N 0 3 288.435 2.727 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000320190200 618506722 /nfs/dbraw/zinc/50/67/22/618506722.db2.gz BANOOBJTNYNLCH-ZYHUDNBSSA-N 0 3 253.317 2.509 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H]2CC(C)=NO2)cc1 ZINC000895312571 618529459 /nfs/dbraw/zinc/52/94/59/618529459.db2.gz YKJTVTRIKOQQBO-HNNXBMFYSA-N 0 3 260.337 2.506 20 30 CFEDHN C#CC1(O)CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000895382233 618560369 /nfs/dbraw/zinc/56/03/69/618560369.db2.gz ADUUMXOPVPKYAV-ARJAWSKDSA-N 0 3 275.779 2.813 20 30 CFEDHN Cc1ncoc1CNC1CCN(c2ccccc2C#N)CC1 ZINC000895439788 618587552 /nfs/dbraw/zinc/58/75/52/618587552.db2.gz GOORQQUPWDJVMF-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN C[C@@H]1CSCCN1CCCOc1ccc(C#N)cc1 ZINC000070219852 625285513 /nfs/dbraw/zinc/28/55/13/625285513.db2.gz FNZCQRUYAXAKET-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCC#Cc2ccccc2)C1 ZINC000893098289 618830876 /nfs/dbraw/zinc/83/08/76/618830876.db2.gz KGPJCOPVMGAIKE-QKLQHJQFSA-N 0 3 289.444 2.708 20 30 CFEDHN C=C(Br)CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000228195625 618864709 /nfs/dbraw/zinc/86/47/09/618864709.db2.gz NYWURWLVWBDBAU-GMTAPVOTSA-N 0 3 274.202 2.688 20 30 CFEDHN C[C@H](NCC#Cc1ccccc1)[C@H](O)Cc1ccccc1 ZINC000893190991 618874426 /nfs/dbraw/zinc/87/44/26/618874426.db2.gz HOQADJLJJHBOPJ-QFBILLFUSA-N 0 3 279.383 2.620 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000925539679 618897734 /nfs/dbraw/zinc/89/77/34/618897734.db2.gz CSMJNDMCFOARLD-UKRRQHHQSA-N 0 3 291.439 2.838 20 30 CFEDHN CC1([C@H]2CCCN(Cc3csc(C#N)c3)C2)OCCO1 ZINC000893536297 619042380 /nfs/dbraw/zinc/04/23/80/619042380.db2.gz TYHBCBXVCRHXDF-ZDUSSCGKSA-N 0 3 292.404 2.595 20 30 CFEDHN CC(=CN=NC1=NCCN1)Cc1ccccc1C(F)(F)F ZINC000841659792 619073362 /nfs/dbraw/zinc/07/33/62/619073362.db2.gz MCLLRZPYEQLYQF-ZPMPNTEPSA-N 0 3 296.296 2.643 20 30 CFEDHN C[C@H](c1ccccc1)N1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125308 619116817 /nfs/dbraw/zinc/11/68/17/619116817.db2.gz DBCDUSHFGABEJE-MRXNPFEDSA-N 0 3 296.414 2.695 20 30 CFEDHN CO[C@@](C)(C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000106983765 619127003 /nfs/dbraw/zinc/12/70/03/619127003.db2.gz BMFSKGOWFILHTK-RHSMWYFYSA-N 0 3 280.327 2.820 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNc1cc(N)ncc1Cl ZINC000893660329 619148433 /nfs/dbraw/zinc/14/84/33/619148433.db2.gz XUIQPPCOLUCCBK-TVQRCGJNSA-N 0 3 267.760 2.710 20 30 CFEDHN C#C[C@H](NCc1cccc(C(=O)N(C)C)c1)C(C)(C)C ZINC000894518341 619408027 /nfs/dbraw/zinc/40/80/27/619408027.db2.gz YFPQELWRQUTLSB-HNNXBMFYSA-N 0 3 272.392 2.526 20 30 CFEDHN C#C[C@H](C)NCc1cn(CC)nc1-c1ccccc1 ZINC000894737755 619454041 /nfs/dbraw/zinc/45/40/41/619454041.db2.gz GWYIUXSJTALHJR-ZDUSSCGKSA-N 0 3 253.349 2.681 20 30 CFEDHN CN(Cc1csc(C#N)c1)[C@@H](CO)CC(C)(C)C ZINC000894746485 619454690 /nfs/dbraw/zinc/45/46/90/619454690.db2.gz YUHBSXJXWDOAKB-GFCCVEGCSA-N 0 3 266.410 2.849 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2csc(C#N)c2)CC1 ZINC000894755808 619458377 /nfs/dbraw/zinc/45/83/77/619458377.db2.gz SYCXINXHDWLDKR-GFCCVEGCSA-N 0 3 263.410 2.536 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCC2(C#N)CCC2)C1 ZINC000894965210 619518471 /nfs/dbraw/zinc/51/84/71/619518471.db2.gz CUGNLPKTNJZHPE-BETUJISGSA-N 0 3 293.411 2.573 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1Cc2ccccc2CO1 ZINC000895548995 619549778 /nfs/dbraw/zinc/54/97/78/619549778.db2.gz GGEXYOKDZIYRFP-IBGZPJMESA-N 0 3 277.367 2.769 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CCC[C@H](CF)C1 ZINC000895544677 619551835 /nfs/dbraw/zinc/55/18/35/619551835.db2.gz NLVUVZROGZDUCW-CQSZACIVSA-N 0 3 275.371 2.806 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895559188 619555348 /nfs/dbraw/zinc/55/53/48/619555348.db2.gz MQPDKONYPMJHRH-LLVKDONJSA-N 0 3 292.335 2.707 20 30 CFEDHN CO[C@@]1(C(F)(F)F)CCN(CC(C)(C)CCC#N)C1 ZINC000895577465 619558974 /nfs/dbraw/zinc/55/89/74/619558974.db2.gz LEOQPCCIOYTPOC-LBPRGKRZSA-N 0 3 278.318 2.970 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000895669905 619582439 /nfs/dbraw/zinc/58/24/39/619582439.db2.gz KXVXULYNSLQSQK-UHFFFAOYSA-N 0 3 299.414 2.826 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H]2CCC[C@]23CCCO3)c1 ZINC000895681444 619585318 /nfs/dbraw/zinc/58/53/18/619585318.db2.gz VOVJLVAICVTWNE-HIFRSBDPSA-N 0 3 291.782 2.798 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc2ccccc2nc1OC ZINC000895714351 619589101 /nfs/dbraw/zinc/58/91/01/619589101.db2.gz AYNLXCJYMTTZHB-HNNXBMFYSA-N 0 3 286.375 2.660 20 30 CFEDHN C#CCN1CCC(Nc2nccc3cc(F)ccc32)CC1 ZINC000895812800 619613296 /nfs/dbraw/zinc/61/32/96/619613296.db2.gz VQPMPENSNINIQJ-UHFFFAOYSA-N 0 3 283.350 2.883 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000895835040 619619692 /nfs/dbraw/zinc/61/96/92/619619692.db2.gz WUWYAERQHQOTSU-UHFFFAOYSA-N 0 3 287.363 2.573 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000895932720 619638758 /nfs/dbraw/zinc/63/87/58/619638758.db2.gz YIQHPXGVFPHYDI-GFCCVEGCSA-N 0 3 264.394 2.603 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1sccc1Br ZINC000883400212 619722360 /nfs/dbraw/zinc/72/23/60/619722360.db2.gz GUYOZVSNUXPESX-VIFPVBQESA-N 0 3 290.226 2.927 20 30 CFEDHN CCN1CCCN(c2nc(Cl)c(C#N)s2)[C@@H](C)C1 ZINC000320557443 619931372 /nfs/dbraw/zinc/93/13/72/619931372.db2.gz QIWFHGDPNLVDME-VIFPVBQESA-N 0 3 284.816 2.589 20 30 CFEDHN N#Cc1cccc(CNC[C@]2(c3ccccc3)CCCO2)n1 ZINC000897233275 619955895 /nfs/dbraw/zinc/95/58/95/619955895.db2.gz KCDNCFYNVQCBOL-SFHVURJKSA-N 0 3 293.370 2.749 20 30 CFEDHN C#CCCCNCc1cc(OC)ccc1Br ZINC000178748569 620089969 /nfs/dbraw/zinc/08/99/69/620089969.db2.gz UOWYPGAWIDIJLH-UHFFFAOYSA-N 0 3 282.181 2.961 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)c1ccccc1[N+](=O)[O-] ZINC000897466590 620177415 /nfs/dbraw/zinc/17/74/15/620177415.db2.gz XXDOBUKLIZFAJX-LLVKDONJSA-N 0 3 285.303 2.953 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)C2CCCCCCC2)C1 ZINC000989162799 620235475 /nfs/dbraw/zinc/23/54/75/620235475.db2.gz WYDGCBCXMZUGKC-ZBFHGGJFSA-N 0 3 276.424 2.559 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](Cc3nc(C)no3)C2)cc1 ZINC000897576809 620250920 /nfs/dbraw/zinc/25/09/20/620250920.db2.gz KESWOPKKKPOSNI-KRWDZBQOSA-N 0 3 295.386 2.814 20 30 CFEDHN C=CCCCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897608472 620257712 /nfs/dbraw/zinc/25/77/12/620257712.db2.gz QPJVKIUQSXXRID-INIZCTEOSA-N 0 3 290.407 2.817 20 30 CFEDHN C[C@@H](CCc1cccnc1)NCc1nc(C#N)cs1 ZINC000897626064 620262615 /nfs/dbraw/zinc/26/26/15/620262615.db2.gz LOIRELFEPMWSFO-NSHDSACASA-N 0 3 272.377 2.521 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NCc1nc(C#N)cs1)CC2 ZINC000897629197 620264158 /nfs/dbraw/zinc/26/41/58/620264158.db2.gz SFEYRPYQUUTTPQ-ZDUSSCGKSA-N 0 3 299.399 2.670 20 30 CFEDHN CCO[C@]12CCC[C@@]1(NCc1cc(C#N)cs1)CCO2 ZINC000897974831 620307335 /nfs/dbraw/zinc/30/73/35/620307335.db2.gz QYTNYBACMHUVOL-CABCVRRESA-N 0 3 292.404 2.785 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1c2ccccc2OC[C@H]1CO ZINC000897949510 620309496 /nfs/dbraw/zinc/30/94/96/620309496.db2.gz YHQAYCQDFINLKX-XJKCOSOUSA-N 0 3 288.391 2.647 20 30 CFEDHN C[C@@H](Cc1cccnc1)NCc1cc(C#N)cnc1Cl ZINC000897967706 620314513 /nfs/dbraw/zinc/31/45/13/620314513.db2.gz XAWAIHGNKGDAPB-NSHDSACASA-N 0 3 286.766 2.722 20 30 CFEDHN C=CCCn1cc(CNCC[C@H]2CCC(F)(F)C2)nn1 ZINC000898013995 620322677 /nfs/dbraw/zinc/32/26/77/620322677.db2.gz LWGJUOMBGBCOAF-GFCCVEGCSA-N 0 3 284.354 2.769 20 30 CFEDHN C=CCC[C@@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021400 620324316 /nfs/dbraw/zinc/32/43/16/620324316.db2.gz FWDYFMUTPPLECW-SECBINFHSA-N 0 3 261.291 2.883 20 30 CFEDHN C#CCCN1CCCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000989609350 620383053 /nfs/dbraw/zinc/38/30/53/620383053.db2.gz YCQZCGYCOFWHSW-QGZVFWFLSA-N 0 3 298.430 2.738 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C(C)C)c2)C1 ZINC000989644425 620384169 /nfs/dbraw/zinc/38/41/69/620384169.db2.gz WQDIPWCSWSDVLH-YOEHRIQHSA-N 0 3 284.403 2.636 20 30 CFEDHN CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989870804 620396718 /nfs/dbraw/zinc/39/67/18/620396718.db2.gz OISPFTNGPJUJMH-FUHWJXTLSA-N 0 3 297.402 2.581 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3C)CCC[C@@H]12 ZINC000989940348 620403767 /nfs/dbraw/zinc/40/37/67/620403767.db2.gz SRWDGOSXXKEXIS-ZBFHGGJFSA-N 0 3 274.364 2.501 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C3CCCCCC3)CCC[C@@H]12 ZINC000990030135 620407927 /nfs/dbraw/zinc/40/79/27/620407927.db2.gz ISKSGHBHLTYLMO-SJLPKXTDSA-N 0 3 288.435 2.703 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C3=CCCCCC3)CCC[C@H]12 ZINC000990414160 620419088 /nfs/dbraw/zinc/41/90/88/620419088.db2.gz DSDVKBBOZGSEFJ-WMZOPIPTSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1nonc1C)C(C)C ZINC000924644003 620431025 /nfs/dbraw/zinc/43/10/25/620431025.db2.gz SBHDRLIKMTYGRJ-ZFWWWQNUSA-N 0 3 292.427 2.727 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898468758 620467991 /nfs/dbraw/zinc/46/79/91/620467991.db2.gz BCQSIZABCAYLHR-UPJWGTAASA-N 0 3 291.361 2.883 20 30 CFEDHN C=C1CN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000898696791 620490841 /nfs/dbraw/zinc/49/08/41/620490841.db2.gz IYYFODLBZUVZGP-UHFFFAOYSA-N 0 3 270.332 2.506 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)CC(=O)OC)c([O-])c1 ZINC000899233221 620534507 /nfs/dbraw/zinc/53/45/07/620534507.db2.gz FNIUSDMVBFZQMB-UEMWTREESA-N 0 3 292.379 2.609 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2cccc(F)c2)CC1 ZINC000899469697 620572101 /nfs/dbraw/zinc/57/21/01/620572101.db2.gz YKHGQRPURAVRGA-UHFFFAOYSA-N 0 3 293.411 2.763 20 30 CFEDHN Cc1ccc(CCN[C@@H](C)c2cc(C#N)ccn2)o1 ZINC000902745510 621163863 /nfs/dbraw/zinc/16/38/63/621163863.db2.gz PKUFERWSILZRIH-LBPRGKRZSA-N 0 3 255.321 2.748 20 30 CFEDHN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902812477 621184584 /nfs/dbraw/zinc/18/45/84/621184584.db2.gz UDTDTTNJZRHNDU-CMPLNLGQSA-N 0 3 284.363 2.840 20 30 CFEDHN C[C@H](NC[C@]1(C)CCCC[C@H]1O)c1cc(C#N)ccn1 ZINC000902832167 621186927 /nfs/dbraw/zinc/18/69/27/621186927.db2.gz RTMBDOHGJBJKDO-MAZHCROVSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@H](NCCCNc1ccccn1)c1cc(C#N)ccn1 ZINC000902836645 621187394 /nfs/dbraw/zinc/18/73/94/621187394.db2.gz ZWKOYRNWGTWIEF-ZDUSSCGKSA-N 0 3 281.363 2.501 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902869484 621192530 /nfs/dbraw/zinc/19/25/30/621192530.db2.gz XLBODRHUSCFRNL-QWQRMKEZSA-N 0 3 295.386 2.768 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N(C(C)C)C1)c1cccc(C#N)c1 ZINC000902872160 621193521 /nfs/dbraw/zinc/19/35/21/621193521.db2.gz XBGLHNRPJVBDME-HOTGVXAUSA-N 0 3 285.391 2.608 20 30 CFEDHN Cc1ncc(CCN[C@H](C)c2cc(C#N)ccn2)s1 ZINC000902882887 621198754 /nfs/dbraw/zinc/19/87/54/621198754.db2.gz XXAKPHRVIZLGDC-SNVBAGLBSA-N 0 3 272.377 2.612 20 30 CFEDHN CC[C@H](NC1COC(C)(C)OC1)c1cccc(C#N)c1 ZINC000902950153 621212584 /nfs/dbraw/zinc/21/25/84/621212584.db2.gz FBFGSDCNABNZOY-HNNXBMFYSA-N 0 3 274.364 2.750 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902952077 621212882 /nfs/dbraw/zinc/21/28/82/621212882.db2.gz UICJHFQLVPODAS-KOLCDFICSA-N 0 3 274.286 2.688 20 30 CFEDHN CCOC[C@@H](N[C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902969918 621215699 /nfs/dbraw/zinc/21/56/99/621215699.db2.gz ISFUQXPPAXMQDV-IUODEOHRSA-N 0 3 261.369 2.665 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902982600 621217338 /nfs/dbraw/zinc/21/73/38/621217338.db2.gz LUOFUAUORKDJJC-KDOFPFPSSA-N 0 3 295.386 2.954 20 30 CFEDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000903017200 621222226 /nfs/dbraw/zinc/22/22/26/621222226.db2.gz LUCQRVCXHBYBCK-NILFDRSVSA-N 0 3 271.364 2.561 20 30 CFEDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000903016994 621222240 /nfs/dbraw/zinc/22/22/40/621222240.db2.gz NTCOWCGPIAGVCN-JGGQBBKZSA-N 0 3 273.380 2.952 20 30 CFEDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(C#N)ccn1 ZINC000903016996 621222583 /nfs/dbraw/zinc/22/25/83/621222583.db2.gz NTCOWCGPIAGVCN-XNRPHZJLSA-N 0 3 273.380 2.952 20 30 CFEDHN C[C@@H](NCC1(O)CCC(F)(F)CC1)c1cc(C#N)ccn1 ZINC000903056062 621235578 /nfs/dbraw/zinc/23/55/78/621235578.db2.gz GQWANOWLWUISFC-LLVKDONJSA-N 0 3 295.333 2.544 20 30 CFEDHN C[C@H](NCC1(O)CCC(C)(C)CC1)c1cc(C#N)ccn1 ZINC000903053571 621243145 /nfs/dbraw/zinc/24/31/45/621243145.db2.gz BTEAXAGZBJTNSI-ZDUSSCGKSA-N 0 3 287.407 2.935 20 30 CFEDHN C[C@@H](NCC[C@@H](O)C1CCCC1)c1cc(C#N)ccn1 ZINC000903084893 621246812 /nfs/dbraw/zinc/24/68/12/621246812.db2.gz LUSKNZWYPGHLJN-MLGOLLRUSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@@H](NC[C@@H]1CC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903094432 621258161 /nfs/dbraw/zinc/25/81/61/621258161.db2.gz NQKAMANYKVMEHW-OCCSQVGLSA-N 0 3 271.364 2.563 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000801955982 621268489 /nfs/dbraw/zinc/26/84/89/621268489.db2.gz YKBIVHOFSGGFRC-VXGBXAGGSA-N 0 3 290.329 2.970 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1cn(C)nc1Br ZINC000903189096 621286030 /nfs/dbraw/zinc/28/60/30/621286030.db2.gz OOEPNXAHVVNXGW-VHSXEESVSA-N 0 3 286.217 2.873 20 30 CFEDHN C[C@H](NCC[C@@H](O)C1CC1)c1ccc(C#N)cc1F ZINC000903407288 621362728 /nfs/dbraw/zinc/36/27/28/621362728.db2.gz NLVUBRNCULFCFZ-ZUZCIYMTSA-N 0 3 262.328 2.509 20 30 CFEDHN C[N@@H+]1CC[C@@H](CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904196276 621547727 /nfs/dbraw/zinc/54/77/27/621547727.db2.gz SFCLTAAXSFXEGD-INIZCTEOSA-N 0 3 290.407 2.569 20 30 CFEDHN C[N@H+]1CC[C@@H](CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904196276 621547732 /nfs/dbraw/zinc/54/77/32/621547732.db2.gz SFCLTAAXSFXEGD-INIZCTEOSA-N 0 3 290.407 2.569 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2COC[C@@H]2C)c([O-])c1 ZINC000905003171 621680096 /nfs/dbraw/zinc/68/00/96/621680096.db2.gz OUCMPRVQHFRMEI-ALPQEUJLSA-N 0 3 276.380 2.692 20 30 CFEDHN Cc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1C ZINC000905079654 621691083 /nfs/dbraw/zinc/69/10/83/621691083.db2.gz DFFHFHISAIWZAC-ZTFCMROMSA-N 0 3 253.305 2.736 20 30 CFEDHN CCc1ccc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905081594 621691391 /nfs/dbraw/zinc/69/13/91/621691391.db2.gz RYJSIUSVLBEIDW-QKNMJKLUSA-N 0 3 259.334 2.743 20 30 CFEDHN CC1/C(=C\c2ccccc2C2CC2)C(=O)c2ncnn21 ZINC000905082392 621691437 /nfs/dbraw/zinc/69/14/37/621691437.db2.gz VYYVYGXWVZLBLP-CEITULEQSA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C\c2ccc(C(C)(C)C#N)cc2)C(=O)c2ncnn21 ZINC000905084343 621692347 /nfs/dbraw/zinc/69/23/47/621692347.db2.gz IQTQIUJRIURSMU-KYJZABPNSA-N 0 3 292.342 2.920 20 30 CFEDHN CCc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905087155 621692699 /nfs/dbraw/zinc/69/26/99/621692699.db2.gz WMTKNPCNPFXMBT-GARZTLJTSA-N 0 3 253.305 2.681 20 30 CFEDHN CSc1ccc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905086948 621692708 /nfs/dbraw/zinc/69/27/08/621692708.db2.gz UWKOENGCJVCGNX-VYVBZAQUSA-N 0 3 277.374 2.902 20 30 CFEDHN CCOc1cc(F)cc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905085469 621692883 /nfs/dbraw/zinc/69/28/83/621692883.db2.gz NJSUYPHKDMGVLC-FVNYMESBSA-N 0 3 287.294 2.657 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905087665 621693481 /nfs/dbraw/zinc/69/34/81/621693481.db2.gz YKTAQTZOCWJMED-KYJZABPNSA-N 0 3 283.331 2.826 20 30 CFEDHN N#Cc1c(F)cccc1-c1cnc([C@@H]2CCCN2)nc1 ZINC000906177431 621945288 /nfs/dbraw/zinc/94/52/88/621945288.db2.gz TUYDYAIZKOWOQU-AWEZNQCLSA-N 0 3 268.295 2.579 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(C2CC2)nn1 ZINC000906313967 621972844 /nfs/dbraw/zinc/97/28/44/621972844.db2.gz OIXKFDPVMBONEL-IUODEOHRSA-N 0 3 260.385 2.838 20 30 CFEDHN CN1CCN(C(=O)CCCCCC#N)CC12CCCCC2 ZINC000908572013 622247607 /nfs/dbraw/zinc/24/76/07/622247607.db2.gz QXQUXDVWBSMFNA-UHFFFAOYSA-N 0 3 291.439 2.937 20 30 CFEDHN CCN1CCCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@@H](C)C1 ZINC000910271016 622422313 /nfs/dbraw/zinc/42/23/13/622422313.db2.gz UCMXIWKHOXCYOA-HNNXBMFYSA-N 0 3 299.418 2.731 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000911645408 622530851 /nfs/dbraw/zinc/53/08/51/622530851.db2.gz ASKQBMNQDNEBOC-CQSZACIVSA-N 0 3 284.363 2.699 20 30 CFEDHN OCCN1CCC(N=Nc2cccc3ccccc32)CC1 ZINC000819807296 622560201 /nfs/dbraw/zinc/56/02/01/622560201.db2.gz NPXFYUJKWOPOCY-UHFFFAOYSA-N 0 3 283.375 2.696 20 30 CFEDHN Cc1cc(C(=O)N(C)CCN2CCCCC2)cc(C)c1C#N ZINC000911919888 622575642 /nfs/dbraw/zinc/57/56/42/622575642.db2.gz FCLFYIVDHVVMNA-UHFFFAOYSA-N 0 3 299.418 2.733 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000911957407 622596805 /nfs/dbraw/zinc/59/68/05/622596805.db2.gz MKRYUJGHSULKMY-YIYPIFLZSA-N 0 3 252.402 2.611 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1C ZINC000912045241 622617751 /nfs/dbraw/zinc/61/77/51/622617751.db2.gz NQAJPRREGMXARH-ZFWWWQNUSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC=C)Cc1cccs1 ZINC000912082743 622620848 /nfs/dbraw/zinc/62/08/48/622620848.db2.gz ZLAWRBFOVQPZSX-CQSZACIVSA-N 0 3 278.421 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000912172181 622656497 /nfs/dbraw/zinc/65/64/97/622656497.db2.gz SJHYGSOWRLHSNI-JSGCOSHPSA-N 0 3 278.421 2.999 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC1CCC(CC)CC1 ZINC000912338362 622696227 /nfs/dbraw/zinc/69/62/27/622696227.db2.gz NKCORVGKDIRDND-JXQTWKCFSA-N 0 3 252.402 2.755 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913105515 622834710 /nfs/dbraw/zinc/83/47/10/622834710.db2.gz ZFFZOIWXFWCTNY-DOTOQJQBSA-N 0 3 286.419 2.979 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991502444 622949292 /nfs/dbraw/zinc/94/92/92/622949292.db2.gz KRHSHAVVJVBDPK-RHSMWYFYSA-N 0 3 294.414 2.958 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CCC[C@@H]12 ZINC000991785895 623139960 /nfs/dbraw/zinc/13/99/60/623139960.db2.gz RQTCDJRMPXXPBQ-ATNYBXOESA-N 0 3 290.451 2.968 20 30 CFEDHN C=CC1(CC(=O)N[C@H]2CCN(CC)C2)CCCCC1 ZINC000822787250 623174424 /nfs/dbraw/zinc/17/44/24/623174424.db2.gz FWTLHPTWCZTWGX-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cncc(CC)c3)CCC[C@H]12 ZINC000991858487 623186230 /nfs/dbraw/zinc/18/62/30/623186230.db2.gz GODCWUCGYWXSMT-FUHWJXTLSA-N 0 3 299.418 2.557 20 30 CFEDHN CN(CCC(C)(C)C#N)C[C@@](C)(O)c1ccccc1 ZINC000823605434 623359113 /nfs/dbraw/zinc/35/91/13/623359113.db2.gz KMQRNHMRKPVMSV-MRXNPFEDSA-N 0 3 260.381 2.766 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000823617810 623363329 /nfs/dbraw/zinc/36/33/29/623363329.db2.gz NJYLNLKEJQWCMO-DOMZBBRYSA-N 0 3 284.359 2.647 20 30 CFEDHN C#CCOc1ccccc1CNCCC(=O)OC(C)(C)C ZINC000174430945 623420913 /nfs/dbraw/zinc/42/09/13/623420913.db2.gz ZOGVAUKZDPWHKI-UHFFFAOYSA-N 0 3 289.375 2.520 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12 ZINC000991977902 623435363 /nfs/dbraw/zinc/43/53/63/623435363.db2.gz VTBABBUFSULYSG-AEFFLSMTSA-N 0 3 299.418 2.611 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@H]12 ZINC000992116956 623458817 /nfs/dbraw/zinc/45/88/17/623458817.db2.gz HZPJWQIITAGYRE-RLFYNMQTSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@H]12 ZINC000992128099 623463046 /nfs/dbraw/zinc/46/30/46/623463046.db2.gz WOIAHKFHXQPFIP-MAUKXSAKSA-N 0 3 299.418 2.805 20 30 CFEDHN CC(C)C#CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000824267857 623479817 /nfs/dbraw/zinc/47/98/17/623479817.db2.gz JHEAXMZOCNIOCN-SFHVURJKSA-N 0 3 298.430 2.817 20 30 CFEDHN COc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c([O-])c1 ZINC000824320434 623490454 /nfs/dbraw/zinc/49/04/54/623490454.db2.gz IBHRKHCDBVSHKX-UHFFFAOYSA-N 0 3 274.364 2.963 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(O[C@H](C)COC)cc1 ZINC000825710601 623745009 /nfs/dbraw/zinc/74/50/09/623745009.db2.gz VMQOWUHISUTOJN-ZIAGYGMSSA-N 0 3 261.365 2.554 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992943711 623814952 /nfs/dbraw/zinc/81/49/52/623814952.db2.gz KQRKTWPLMPYYSW-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)C(C)(F)F)[C@H]1C ZINC000992978255 623826864 /nfs/dbraw/zinc/82/68/64/623826864.db2.gz FCQTVEAMBKHGOH-VXGBXAGGSA-N 0 3 274.355 2.577 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992988276 623829789 /nfs/dbraw/zinc/82/97/89/623829789.db2.gz XJXOCLVAZBVCEO-CZUORRHYSA-N 0 3 290.382 2.985 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992986834 623835217 /nfs/dbraw/zinc/83/52/17/623835217.db2.gz HFYFKBGGDQPMTR-XJKSGUPXSA-N 0 3 290.382 2.985 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ncccc2C)[C@@H]1C ZINC000993171450 623974903 /nfs/dbraw/zinc/97/49/03/623974903.db2.gz PSDHPIQDOGIUQZ-LSDHHAIUSA-N 0 3 287.407 2.549 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C=C2CCC2)[C@H]1C ZINC000993181982 623988256 /nfs/dbraw/zinc/98/82/56/623988256.db2.gz DCHNDWVURCWKOT-HIFRSBDPSA-N 0 3 262.397 2.642 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@@H](O)c2ccc(F)cc2)c1 ZINC000915355241 624029270 /nfs/dbraw/zinc/02/92/70/624029270.db2.gz NKFWSVLVNUQSMN-MRXNPFEDSA-N 0 3 288.297 2.660 20 30 CFEDHN C#C[C@H](NCc1cccc(C)c1F)C1CCOCC1 ZINC000827555111 624030183 /nfs/dbraw/zinc/03/01/83/624030183.db2.gz NXUHEECXFZTVJH-HNNXBMFYSA-N 0 3 261.340 2.652 20 30 CFEDHN C#C[C@@H](NCc1coc2ccccc12)C1CCOCC1 ZINC000827565106 624033496 /nfs/dbraw/zinc/03/34/96/624033496.db2.gz JCYGSJKAQHITIN-MRXNPFEDSA-N 0 3 269.344 2.951 20 30 CFEDHN C#C[C@@H](NCc1cnc(C(C)C)s1)C1CCOCC1 ZINC000827566339 624034972 /nfs/dbraw/zinc/03/49/72/624034972.db2.gz VCJBZSHWWGICBJ-CQSZACIVSA-N 0 3 278.421 2.785 20 30 CFEDHN C#C[C@@H](NCc1cnc(C(C)(C)C)s1)C1CCOCC1 ZINC000827570178 624035023 /nfs/dbraw/zinc/03/50/23/624035023.db2.gz IVUFFKJSKOADEI-CQSZACIVSA-N 0 3 292.448 2.959 20 30 CFEDHN C#C[C@H](NCc1ccccc1OC(C)C)C1CCOCC1 ZINC000827575423 624037384 /nfs/dbraw/zinc/03/73/84/624037384.db2.gz OYLKNKXCYGRNBZ-KRWDZBQOSA-N 0 3 287.403 2.992 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC000993216576 624044785 /nfs/dbraw/zinc/04/47/85/624044785.db2.gz PZVKPVUDCJYXEF-YPMHNXCESA-N 0 3 286.366 2.577 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993224318 624053273 /nfs/dbraw/zinc/05/32/73/624053273.db2.gz DPJPJOIYFGZYDL-DZGCQCFKSA-N 0 3 262.397 2.642 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993240237 624056672 /nfs/dbraw/zinc/05/66/72/624056672.db2.gz VVNMKUXUIIQXPH-DZGCQCFKSA-N 0 3 276.380 2.747 20 30 CFEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1cccs1 ZINC000827817706 624100757 /nfs/dbraw/zinc/10/07/57/624100757.db2.gz IJKFTBMFBNLXSK-UHFFFAOYSA-N 0 3 289.404 2.610 20 30 CFEDHN C#CCCN(C/C=C/c1ccc(F)cc1F)CCOC ZINC000827823393 624102336 /nfs/dbraw/zinc/10/23/36/624102336.db2.gz 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292.345 2.588 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC000999236932 626069275 /nfs/dbraw/zinc/06/92/75/626069275.db2.gz TVRLTGAMVPCGBG-UHFFFAOYSA-N 0 3 270.804 2.508 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(C)CC=CC2)C1 ZINC000999344118 626072261 /nfs/dbraw/zinc/07/22/61/626072261.db2.gz MMERMTNSNMNTAG-UHFFFAOYSA-N 0 3 282.815 2.674 20 30 CFEDHN CCC(CC)[C@H](O)CNCc1csc(C#N)c1 ZINC000921726336 626099685 /nfs/dbraw/zinc/09/96/85/626099685.db2.gz RRCPLTQLPLISNW-CYBMUJFWSA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001000938915 626136658 /nfs/dbraw/zinc/13/66/58/626136658.db2.gz LJZIUZYAOWKNCP-HUUCEWRRSA-N 0 3 276.424 2.603 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(F)ccc2C)CC1 ZINC001001012566 626138882 /nfs/dbraw/zinc/13/88/82/626138882.db2.gz PTIVMZUYEWBEJJ-UHFFFAOYSA-N 0 3 288.366 2.682 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C=C)cc2)CC1 ZINC001001195211 626148441 /nfs/dbraw/zinc/14/84/41/626148441.db2.gz KMXZNTADBKWKGQ-UHFFFAOYSA-N 0 3 282.387 2.878 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(C)cc(F)c2)CC1 ZINC001001195236 626148635 /nfs/dbraw/zinc/14/86/35/626148635.db2.gz KYUBNMMPBXIKAO-UHFFFAOYSA-N 0 3 288.366 2.682 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc3cc[nH]c32)CC1 ZINC001001182387 626150098 /nfs/dbraw/zinc/15/00/98/626150098.db2.gz PAIDWMUOEDRUGH-UHFFFAOYSA-N 0 3 295.386 2.716 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(C)c(CC)o2)CC1 ZINC001001367449 626156357 /nfs/dbraw/zinc/15/63/57/626156357.db2.gz YAROHKVMHPZTIA-UHFFFAOYSA-N 0 3 288.391 2.698 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001001796094 626163862 /nfs/dbraw/zinc/16/38/62/626163862.db2.gz BAIGBAQDLAURFD-DLBZAZTESA-N 0 3 290.451 2.664 20 30 CFEDHN CCn1cccc(CNCc2c(C)cc(C#N)cc2C)c1=O ZINC000922074456 626203787 /nfs/dbraw/zinc/20/37/87/626203787.db2.gz RYZSVJAQVDEYKZ-UHFFFAOYSA-N 0 3 295.386 2.647 20 30 CFEDHN C[C@H](NCc1csc(C#N)c1)[C@H](O)c1ccccc1 ZINC000922135935 626215864 /nfs/dbraw/zinc/21/58/64/626215864.db2.gz SRSNTUFMKWXUTM-NHYWBVRUSA-N 0 3 272.373 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292.382 2.738 20 30 CFEDHN C#Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1 ZINC000922894911 626416776 /nfs/dbraw/zinc/41/67/76/626416776.db2.gz RHHSYLPTDVCQDB-QGZVFWFLSA-N 0 3 267.376 2.888 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(CC)o2)CC1 ZINC001005594316 626417997 /nfs/dbraw/zinc/41/79/97/626417997.db2.gz GXWLVXSXGOHDHG-UHFFFAOYSA-N 0 3 276.380 2.564 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cccnc2C2CC2)CC1 ZINC001005662590 626419304 /nfs/dbraw/zinc/41/93/04/626419304.db2.gz IEECEJSUDVXQEA-UHFFFAOYSA-N 0 3 299.418 2.681 20 30 CFEDHN N#Cc1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922987821 626439910 /nfs/dbraw/zinc/43/99/10/626439910.db2.gz KFLRDUODOMDIFF-MSOLQXFVSA-N 0 3 278.355 2.696 20 30 CFEDHN C#CCC1(NCc2ccc(OC)c(OC)c2F)CCC1 ZINC000922997656 626441146 /nfs/dbraw/zinc/44/11/46/626441146.db2.gz ATQXBMFIDSOKSQ-UHFFFAOYSA-N 0 3 277.339 2.879 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001006102825 626475581 /nfs/dbraw/zinc/47/55/81/626475581.db2.gz FRHKCTONOHQVFA-MSOLQXFVSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCCN1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923545159 626479260 /nfs/dbraw/zinc/47/92/60/626479260.db2.gz PKHBIHZLRVWXGV-CABCVRRESA-N 0 3 272.392 2.545 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016422799 626481259 /nfs/dbraw/zinc/48/12/59/626481259.db2.gz BLRSDBPZSKIXPK-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN CCOC(=O)CC(C)(C)CN1CCC(C)(C#N)CC1 ZINC000839004277 626519842 /nfs/dbraw/zinc/51/98/42/626519842.db2.gz JXEDWGVYJYVZCM-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN CS[C@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842938579 626520408 /nfs/dbraw/zinc/52/04/08/626520408.db2.gz LCQSOQJMTAIEAB-VXNVDRBHSA-N 0 3 266.391 2.948 20 30 CFEDHN C#CCOc1ccccc1CNCC(C)(C)CC#N ZINC000839164077 626531584 /nfs/dbraw/zinc/53/15/84/626531584.db2.gz YAFWFLVQNSUABL-UHFFFAOYSA-N 0 3 256.349 2.728 20 30 CFEDHN CC#CCCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839203507 626532220 /nfs/dbraw/zinc/53/22/20/626532220.db2.gz ZKLMLPKPKSZQOU-UHFFFAOYSA-N 0 3 278.783 2.992 20 30 CFEDHN C#C[C@H](NCCC1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000839563630 626547290 /nfs/dbraw/zinc/54/72/90/626547290.db2.gz KGYWFENURPJWCB-GJZGRUSLSA-N 0 3 260.381 2.621 20 30 CFEDHN C=CCOCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757638790 626556944 /nfs/dbraw/zinc/55/69/44/626556944.db2.gz OBICMBMDKBOXAD-PWSUYJOCSA-N 0 3 265.328 2.872 20 30 CFEDHN C=CCOCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757638789 626556952 /nfs/dbraw/zinc/55/69/52/626556952.db2.gz OBICMBMDKBOXAD-JQWIXIFHSA-N 0 3 265.328 2.872 20 30 CFEDHN COc1cc(F)cc(N=NC2CN(C3CC3)C[C@H]2C)c1 ZINC000759210961 626637172 /nfs/dbraw/zinc/63/71/72/626637172.db2.gz WRGXNGFSDAISOS-SNVBAGLBSA-N 0 3 277.343 2.716 20 30 CFEDHN COc1cc(F)cc(N=NC2C[C@H](C)N(C3CC3)C2)c1 ZINC000759211054 626637199 /nfs/dbraw/zinc/63/71/99/626637199.db2.gz YEHGNBPLJNRHHD-JTQLQIEISA-N 0 3 277.343 2.859 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C)CC1 ZINC000759417385 626655711 /nfs/dbraw/zinc/65/57/11/626655711.db2.gz BVJUQGJDXGCDPM-NSHDSACASA-N 0 3 267.332 2.940 20 30 CFEDHN C#CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000759429736 626657837 /nfs/dbraw/zinc/65/78/37/626657837.db2.gz ASYWSUJGYQLCDO-NSHDSACASA-N 0 3 288.734 2.791 20 30 CFEDHN C#Cc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cn1 ZINC000759748811 626688931 /nfs/dbraw/zinc/68/89/31/626688931.db2.gz NTOWLPPUTTWBOU-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN C#CCOCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000851770541 634519297 /nfs/dbraw/zinc/51/92/97/634519297.db2.gz PUSVNNJRBIWODR-UHFFFAOYSA-N 0 3 273.376 2.787 20 30 CFEDHN C#CCOCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000851770541 634519303 /nfs/dbraw/zinc/51/93/03/634519303.db2.gz PUSVNNJRBIWODR-UHFFFAOYSA-N 0 3 273.376 2.787 20 30 CFEDHN C#CCCN1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000760844634 626777343 /nfs/dbraw/zinc/77/73/43/626777343.db2.gz VLJOZPYWOBDRKN-INIZCTEOSA-N 0 3 256.393 2.837 20 30 CFEDHN C=CCN1CCC(NC(=O)C(F)=C2CCCC2)CC1 ZINC000763042325 626958476 /nfs/dbraw/zinc/95/84/76/626958476.db2.gz KZJAKMHOIKPFEA-UHFFFAOYSA-N 0 3 266.360 2.551 20 30 CFEDHN N#Cc1ccc(CN(C[C@H]2CC3(CC3)C(=O)O2)C2CC2)cc1 ZINC000763672794 627004189 /nfs/dbraw/zinc/00/41/89/627004189.db2.gz CEPIHMONWOLSSD-MRXNPFEDSA-N 0 3 296.370 2.618 20 30 CFEDHN C=C(C)CN(CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000764237372 627046525 /nfs/dbraw/zinc/04/65/25/627046525.db2.gz NPEGAPKFDDNGHO-UHFFFAOYSA-N 0 3 254.374 2.504 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cc(OCC)cc(CC=C)c1O ZINC000766665629 627213399 /nfs/dbraw/zinc/21/33/99/627213399.db2.gz JSHRJEWDCGPJCW-ZDUSSCGKSA-N 0 3 273.376 2.973 20 30 CFEDHN COc1cccc(C=NOCCN2CCCCC2)c1OC ZINC000766683078 627214445 /nfs/dbraw/zinc/21/44/45/627214445.db2.gz AQCVTKCCXDEJET-UHFFFAOYSA-N 0 3 292.379 2.540 20 30 CFEDHN C#CCCCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000766904133 627226244 /nfs/dbraw/zinc/22/62/44/627226244.db2.gz WVTNUUQACYWWTD-CVEARBPZSA-N 0 3 277.408 2.844 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000766930553 627227470 /nfs/dbraw/zinc/22/74/70/627227470.db2.gz SMNYZTNAKUMCEJ-DVOMOZLQSA-N 0 3 287.363 2.638 20 30 CFEDHN C#C[C@@H](C)N(C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000769975982 627493700 /nfs/dbraw/zinc/49/37/00/627493700.db2.gz RRJCYXLSQUGGFN-GFCCVEGCSA-N 0 3 293.794 2.997 20 30 CFEDHN C#C[C@@H](C)N(C)CCOc1ccc(Cl)c(F)c1 ZINC000769975680 627493756 /nfs/dbraw/zinc/49/37/56/627493756.db2.gz GZMWYESZYKAWNO-SNVBAGLBSA-N 0 3 255.720 2.811 20 30 CFEDHN Cc1cccc([C@H](O)CNCc2ccc(C#N)cc2F)c1 ZINC000772927371 627759655 /nfs/dbraw/zinc/75/96/55/627759655.db2.gz HBBQAERSTJWVIB-QGZVFWFLSA-N 0 3 284.334 2.829 20 30 CFEDHN C#C[C@@H](NCCc1nsc2ccccc12)[C@H]1CCCO1 ZINC000851951269 634605355 /nfs/dbraw/zinc/60/53/55/634605355.db2.gz WSDZFLSDZPZSMQ-UKRRQHHQSA-N 0 3 286.400 2.609 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@H](C)SC ZINC000773764394 627856862 /nfs/dbraw/zinc/85/68/62/627856862.db2.gz QCSGYFYSZCYPDB-RYUDHWBXSA-N 0 3 284.425 2.533 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774250755 627908711 /nfs/dbraw/zinc/90/87/11/627908711.db2.gz GKXANSPHAHQSHC-GHMZBOCLSA-N 0 3 284.747 2.617 20 30 CFEDHN CC(C)(C)C[C@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775133194 627995386 /nfs/dbraw/zinc/99/53/86/627995386.db2.gz XALXKOWDFPFXHG-HNNXBMFYSA-N 0 3 287.407 2.783 20 30 CFEDHN C#C[C@H](N[C@@H]1CCc2c1cccc2C)[C@@H]1CCCO1 ZINC000775571672 628039771 /nfs/dbraw/zinc/03/97/71/628039771.db2.gz JDFTYPLDCITRBJ-BBWFWOEESA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](NC1CC(c2ccccc2)C1)[C@@H]1CCCO1 ZINC000775573053 628040462 /nfs/dbraw/zinc/04/04/62/628040462.db2.gz WEMDPNQZSGGLFJ-GQGLESIBSA-N 0 3 255.361 2.703 20 30 CFEDHN C#C[C@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@H]1CCCO1 ZINC000775572404 628040643 /nfs/dbraw/zinc/04/06/43/628040643.db2.gz RRDOJTJTPADFCL-OFQRWUPVSA-N 0 3 259.349 2.614 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CCCc1ccccc1 ZINC000776076282 628099326 /nfs/dbraw/zinc/09/93/26/628099326.db2.gz DWVDVBZGPKBIRH-ZBFHGGJFSA-N 0 3 298.386 2.656 20 30 CFEDHN C#CCCN1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000776593778 628162806 /nfs/dbraw/zinc/16/28/06/628162806.db2.gz ZPUNAPCAUZZGPB-INIZCTEOSA-N 0 3 256.393 2.697 20 30 CFEDHN C#CCCN1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000776594600 628163290 /nfs/dbraw/zinc/16/32/90/628163290.db2.gz PKKCAQYAXRDXGI-GOSISDBHSA-N 0 3 268.404 2.705 20 30 CFEDHN Cc1ncsc1C=CC([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000777292028 628212250 /nfs/dbraw/zinc/21/22/50/628212250.db2.gz DXJNZMIOLZLORI-ITKZLYELSA-N 0 3 298.371 2.748 20 30 CFEDHN Cc1ncsc1C=CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000777292028 628212257 /nfs/dbraw/zinc/21/22/57/628212257.db2.gz DXJNZMIOLZLORI-ITKZLYELSA-N 0 3 298.371 2.748 20 30 CFEDHN C[C@H](C1CC1)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000777400734 628222365 /nfs/dbraw/zinc/22/23/65/628222365.db2.gz CRLGQRJIXXVBPB-RHSMWYFYSA-N 0 3 269.392 2.667 20 30 CFEDHN CCCCCCCCN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000778189125 628285453 /nfs/dbraw/zinc/28/54/53/628285453.db2.gz NQYDYKCXKLDAKU-UHFFFAOYSA-N 0 3 298.471 2.916 20 30 CFEDHN C=CCCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778292675 628295424 /nfs/dbraw/zinc/29/54/24/628295424.db2.gz SZYJZIZYIUAHCK-BETUJISGSA-N 0 3 268.401 2.892 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000852097495 634650917 /nfs/dbraw/zinc/65/09/17/634650917.db2.gz PZVYUXUKBUMZIB-RHSMWYFYSA-N 0 3 272.392 2.598 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1ccccc1)C(C)C ZINC000852096988 634650781 /nfs/dbraw/zinc/65/07/81/634650781.db2.gz HZLNUUDNFHXOIW-GOSISDBHSA-N 0 3 286.419 2.815 20 30 CFEDHN C#C[C@@](C)(CC)NC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000852103338 634657523 /nfs/dbraw/zinc/65/75/23/634657523.db2.gz DXJVUOAPHRBJET-HOCLYGCPSA-N 0 3 278.396 2.531 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)NCCN1CCCCC1 ZINC000780982009 628510563 /nfs/dbraw/zinc/51/05/63/628510563.db2.gz QGJGNMNDJNYXOQ-OAHLLOKOSA-N 0 3 297.443 2.560 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCCS1 ZINC000783348991 628700541 /nfs/dbraw/zinc/70/05/41/628700541.db2.gz BFCNHDVAKWMMTN-QWHCGFSZSA-N 0 3 288.372 2.620 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)NCCC ZINC000805775672 628876779 /nfs/dbraw/zinc/87/67/79/628876779.db2.gz HTOVVYLMYRTODS-CQSZACIVSA-N 0 3 268.401 2.943 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785998004 628929095 /nfs/dbraw/zinc/92/90/95/628929095.db2.gz UKQQUYHORNUOSA-HIFRSBDPSA-N 0 3 276.336 2.669 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785998006 628929111 /nfs/dbraw/zinc/92/91/11/628929111.db2.gz UKQQUYHORNUOSA-ZFWWWQNUSA-N 0 3 276.336 2.669 20 30 CFEDHN C=CCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000786435608 628956362 /nfs/dbraw/zinc/95/63/62/628956362.db2.gz GETPGIXRBLSPBP-LBPRGKRZSA-N 0 3 299.399 2.980 20 30 CFEDHN CCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786545218 628967691 /nfs/dbraw/zinc/96/76/91/628967691.db2.gz DYLDQYZUWAFUGR-OAHLLOKOSA-N 0 3 286.375 2.900 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787074738 628991397 /nfs/dbraw/zinc/99/13/97/628991397.db2.gz XNLZEGJHDIGCRO-CJNGLKHVSA-N 0 3 298.386 2.790 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1O ZINC000787311082 629005960 /nfs/dbraw/zinc/00/59/60/629005960.db2.gz RCNYMCHQYCMPIO-ZDUSSCGKSA-N 0 3 277.364 2.950 20 30 CFEDHN C#CCC1(C(=O)NC[C@H](C)N2CCCCC2)CCCCC1 ZINC000788172275 629048588 /nfs/dbraw/zinc/04/85/88/629048588.db2.gz OTGKXXRRSNGNKZ-INIZCTEOSA-N 0 3 290.451 2.951 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788518768 629077587 /nfs/dbraw/zinc/07/75/87/629077587.db2.gz KVFGTMASXVJHFH-LLVKDONJSA-N 0 3 296.330 2.899 20 30 CFEDHN C#Cc1ccc(CN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000788846158 629104598 /nfs/dbraw/zinc/10/45/98/629104598.db2.gz GYNUVHYUFTXQQB-IBGZPJMESA-N 0 3 277.367 2.760 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CC[C@H](O)C1 ZINC000788971608 629112164 /nfs/dbraw/zinc/11/21/64/629112164.db2.gz PIXRZCBGMSTEBB-STQMWFEESA-N 0 3 293.794 2.603 20 30 CFEDHN C#C[C@@H](CC)OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805918273 629221144 /nfs/dbraw/zinc/22/11/44/629221144.db2.gz NMMACILSJSZLDP-KRWDZBQOSA-N 0 3 285.387 2.854 20 30 CFEDHN Cc1cc(F)ccc1[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000852319226 634719571 /nfs/dbraw/zinc/71/95/71/634719571.db2.gz ICSNHZOTCHEWAS-BBRMVZONSA-N 0 3 276.355 2.793 20 30 CFEDHN C#C[C@H](CCC)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000791031469 629282845 /nfs/dbraw/zinc/28/28/45/629282845.db2.gz LJWXDLIPBQVRAT-IXDOHACOSA-N 0 3 299.418 2.533 20 30 CFEDHN C#CCN(C[C@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000791494660 629321379 /nfs/dbraw/zinc/32/13/79/629321379.db2.gz WOWNPLYLSBFQNG-LJQANCHMSA-N 0 3 279.383 2.841 20 30 CFEDHN CC(C)CCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061421 629364390 /nfs/dbraw/zinc/36/43/90/629364390.db2.gz KVBJLKLQBXGSSI-OAHLLOKOSA-N 0 3 286.375 2.838 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(F)cc1C)[C@H](C)COC ZINC000852358137 634732334 /nfs/dbraw/zinc/73/23/34/634732334.db2.gz NOCAPJGPXNOSSH-CZUORRHYSA-N 0 3 281.371 2.690 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000792200079 629409192 /nfs/dbraw/zinc/40/91/92/629409192.db2.gz IBHDLZNAAGRKQC-UKRRQHHQSA-N 0 3 289.375 2.683 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc(Cl)n2)[C@@H](C)C1 ZINC000793181226 629500653 /nfs/dbraw/zinc/50/06/53/629500653.db2.gz MKVNIRSESPFHPU-JTQLQIEISA-N 0 3 266.776 2.863 20 30 CFEDHN C#CCC1(OC(=O)c2cccc(CN(C)C)c2)CCC1 ZINC000835367601 629661870 /nfs/dbraw/zinc/66/18/70/629661870.db2.gz XKJKKVOREXZFJC-UHFFFAOYSA-N 0 3 271.360 2.851 20 30 CFEDHN C[C@H](NCC(=O)NCCC#N)c1cccc2ccccc21 ZINC000794817022 629690445 /nfs/dbraw/zinc/69/04/45/629690445.db2.gz UCTSMQWNQJILNM-ZDUSSCGKSA-N 0 3 281.359 2.520 20 30 CFEDHN CCN(CC)C(=O)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000795785411 629832516 /nfs/dbraw/zinc/83/25/16/629832516.db2.gz ZOGJVENIBLMJCV-KRWDZBQOSA-N 0 3 299.418 2.784 20 30 CFEDHN C[C@H](C#N)OCCN(Cc1ccccc1F)CC1CC1 ZINC000852564693 634781692 /nfs/dbraw/zinc/78/16/92/634781692.db2.gz QPVYOZHJMLOYNJ-CYBMUJFWSA-N 0 3 276.355 2.966 20 30 CFEDHN COc1ccccc1CON=C1CN(C(C)C)C[C@H]1C ZINC000799117554 630277827 /nfs/dbraw/zinc/27/78/27/630277827.db2.gz KGSLGMSBBWEYSM-CYBMUJFWSA-N 0 3 276.380 2.928 20 30 CFEDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1C#N ZINC000799731164 630340951 /nfs/dbraw/zinc/34/09/51/630340951.db2.gz KJWNEAILIGBZMF-UHFFFAOYSA-N 0 3 282.343 2.904 20 30 CFEDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1C#N ZINC000799731164 630340952 /nfs/dbraw/zinc/34/09/52/630340952.db2.gz KJWNEAILIGBZMF-UHFFFAOYSA-N 0 3 282.343 2.904 20 30 CFEDHN C#C[C@H](NC/C(C)=C/c1ccccc1)[C@@H]1CCCO1 ZINC000800264898 630364657 /nfs/dbraw/zinc/36/46/57/630364657.db2.gz LGXKKWMGXVSFKI-KIXISSKZSA-N 0 3 255.361 2.860 20 30 CFEDHN CCCC[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000800384488 630375956 /nfs/dbraw/zinc/37/59/56/630375956.db2.gz DFKHHVNYVGUTPK-DZGCQCFKSA-N 0 3 286.375 2.838 20 30 CFEDHN CCCCCCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800459324 630387859 /nfs/dbraw/zinc/38/78/59/630387859.db2.gz BRCICXGZIANWIR-CQSZACIVSA-N 0 3 275.458 2.856 20 30 CFEDHN Cc1nc(C)c([C@H](C)N(C)CCO[C@H](C)C#N)s1 ZINC000801919003 630483738 /nfs/dbraw/zinc/48/37/38/630483738.db2.gz FPLRLGDMTJASGP-KOLCDFICSA-N 0 3 267.398 2.681 20 30 CFEDHN CCc1nc2c(s1)[C@H](N(C)CCO[C@@H](C)C#N)CCC2 ZINC000801934481 630491084 /nfs/dbraw/zinc/49/10/84/630491084.db2.gz MTTCUYOHYUNHPE-WCQYABFASA-N 0 3 293.436 2.943 20 30 CFEDHN C[C@@H](C#N)OCCN(C)Cc1ccc(F)c(Cl)c1 ZINC000801951596 630494561 /nfs/dbraw/zinc/49/45/61/630494561.db2.gz XFIMQYCIXBQKLB-JTQLQIEISA-N 0 3 270.735 2.840 20 30 CFEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCO[C@H](C)C#N ZINC000801952306 630495156 /nfs/dbraw/zinc/49/51/56/630495156.db2.gz SENSCRAXPGWQQS-IUODEOHRSA-N 0 3 296.798 2.888 20 30 CFEDHN C[C@@H](C#N)OCCN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000801952699 630495335 /nfs/dbraw/zinc/49/53/35/630495335.db2.gz BVXHNDOZJKGXEH-IVSAIRAKSA-N 0 3 292.423 2.585 20 30 CFEDHN C#CCNC(=O)CN(Cc1cccs1)C(C)(C)CCC ZINC000801997238 630497530 /nfs/dbraw/zinc/49/75/30/630497530.db2.gz MDRTWRNPQGMEIQ-UHFFFAOYSA-N 0 3 292.448 2.878 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CC(C)(C)C2)c1 ZINC000802797207 630548896 /nfs/dbraw/zinc/54/88/96/630548896.db2.gz QXMQIGJLAKBLBY-HNNXBMFYSA-N 0 3 298.386 2.756 20 30 CFEDHN C#CCCN(CCOC)CCSc1cccc(OC)c1 ZINC000852749567 634823637 /nfs/dbraw/zinc/82/36/37/634823637.db2.gz AFCGKHBXFUIWPJ-UHFFFAOYSA-N 0 3 293.432 2.759 20 30 CFEDHN C#CCCCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000803122585 630586029 /nfs/dbraw/zinc/58/60/29/630586029.db2.gz TVGAFTJJUXVGJP-UHFFFAOYSA-N 0 3 276.424 2.584 20 30 CFEDHN N#Cc1sc(NC2CCN(C3CC3)CC2)nc1Cl ZINC000804340435 630673578 /nfs/dbraw/zinc/67/35/78/630673578.db2.gz YCBRQSVJPSSDGD-UHFFFAOYSA-N 0 3 282.800 2.707 20 30 CFEDHN C[C@H]1CCCN1CCNc1nc(Cl)c(C#N)s1 ZINC000804522083 630689294 /nfs/dbraw/zinc/68/92/94/630689294.db2.gz OKVSVZSEXLMFST-QMMMGPOBSA-N 0 3 270.789 2.564 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2nc(Cl)ccc21 ZINC000806147451 630774573 /nfs/dbraw/zinc/77/45/73/630774573.db2.gz JBCUHHAJJNZLDA-GFCCVEGCSA-N 0 3 266.772 2.905 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1[C@@H](C)CCC ZINC000836488758 630832672 /nfs/dbraw/zinc/83/26/72/630832672.db2.gz NHOBKVSJZDFNBI-HOTGVXAUSA-N 0 3 293.455 2.552 20 30 CFEDHN C1C[C@H](NN=C2CCCC[C@H]2N2CCCCC2)CS1 ZINC000808000583 630936589 /nfs/dbraw/zinc/93/65/89/630936589.db2.gz QQGYDLCOJMUBOZ-DZGCQCFKSA-N 0 3 281.469 2.866 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)C#CC(C)(C)C ZINC000837630803 631091434 /nfs/dbraw/zinc/09/14/34/631091434.db2.gz PJUJPXSTUIJOOG-UHFFFAOYSA-N 0 3 278.440 2.760 20 30 CFEDHN C#Cc1ccc(CNCc2cccc(OC)c2)cc1 ZINC000809424978 631224334 /nfs/dbraw/zinc/22/43/34/631224334.db2.gz PJCJNRRZXIULDV-UHFFFAOYSA-N 0 3 251.329 2.966 20 30 CFEDHN C#Cc1ccc(CN(C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000809541608 631229670 /nfs/dbraw/zinc/22/96/70/631229670.db2.gz VCLAMHMJINKCQH-UHFFFAOYSA-N 0 3 292.382 2.660 20 30 CFEDHN C#Cc1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000809537604 631230390 /nfs/dbraw/zinc/23/03/90/631230390.db2.gz PNCIZNPFFJLCOF-UHFFFAOYSA-N 0 3 265.356 2.662 20 30 CFEDHN C#Cc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1 ZINC000809621694 631248526 /nfs/dbraw/zinc/24/85/26/631248526.db2.gz OAWJVKVCZMWWPV-INIZCTEOSA-N 0 3 287.309 2.769 20 30 CFEDHN C#C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000809685769 631262704 /nfs/dbraw/zinc/26/27/04/631262704.db2.gz QBLKFQDEAGNZJQ-GFCCVEGCSA-N 0 3 266.728 2.996 20 30 CFEDHN C#Cc1ccc(CNCc2cccc(C(=O)OC)c2)cc1 ZINC000809729932 631272499 /nfs/dbraw/zinc/27/24/99/631272499.db2.gz SXVRROCRFUBVHS-UHFFFAOYSA-N 0 3 279.339 2.744 20 30 CFEDHN CC(C)(C)[S@@](=O)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000810218606 631346496 /nfs/dbraw/zinc/34/64/96/631346496.db2.gz JWINHICMIZISJF-QRWLVFNGSA-N 0 3 290.432 2.682 20 30 CFEDHN CC(=NN(C)C[C@H](C)O)c1ccc(N2CCCCC2)cc1 ZINC000841652497 631444276 /nfs/dbraw/zinc/44/42/76/631444276.db2.gz LJHSTOKLYJZUIW-AWEZNQCLSA-N 0 3 289.423 2.714 20 30 CFEDHN CC(=CN=NC1=NCCN1)Cc1cccc(C(F)(F)F)c1 ZINC000841658994 631446225 /nfs/dbraw/zinc/44/62/25/631446225.db2.gz GZRYIHYNLBPZHU-ZLIXVQAMSA-N 0 3 296.296 2.643 20 30 CFEDHN N#CC1(CN[C@@H]2CC[C@H]3SCCS[C@H]23)CCC1 ZINC000841898057 631490189 /nfs/dbraw/zinc/49/01/89/631490189.db2.gz KIYKNSMTWFYHEF-IJLUTSLNSA-N 0 3 268.451 2.649 20 30 CFEDHN C[C@@H]1C[C@@H](NCC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000841898313 631491383 /nfs/dbraw/zinc/49/13/83/631491383.db2.gz MQLWYOGKKNDXME-NVXWUHKLSA-N 0 3 283.419 2.933 20 30 CFEDHN C[C@]1(CCNC[C@@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842156120 631554889 /nfs/dbraw/zinc/55/48/89/631554889.db2.gz LTGNUYHUBRRGHZ-MNOVXSKESA-N 0 3 274.195 2.994 20 30 CFEDHN C[C@H](c1cccnc1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153491 631555000 /nfs/dbraw/zinc/55/50/00/631555000.db2.gz NWUUHGUWFYIUBU-DYVFJYSZSA-N 0 3 281.359 2.680 20 30 CFEDHN C/C(C=Nn1cnnc1)=C\c1ccccc1OC(F)F ZINC000811628924 631589761 /nfs/dbraw/zinc/58/97/61/631589761.db2.gz OCIRJIYSQWEBFT-FIPUWNBXSA-N 0 3 278.262 2.817 20 30 CFEDHN C#CC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000842633568 631687371 /nfs/dbraw/zinc/68/73/71/631687371.db2.gz KMDYYOMGNQOWKF-UHFFFAOYSA-N 0 3 275.302 2.617 20 30 CFEDHN COCC1(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000842694670 631709459 /nfs/dbraw/zinc/70/94/59/631709459.db2.gz YAHXCWHQIBPPEI-LLVKDONJSA-N 0 3 284.315 2.821 20 30 CFEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CC1 ZINC000842775339 631736823 /nfs/dbraw/zinc/73/68/23/631736823.db2.gz MABFFTBWGDHQOR-ZDUSSCGKSA-N 0 3 266.300 2.590 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849643 631796380 /nfs/dbraw/zinc/79/63/80/631796380.db2.gz QXCOZRRKOOWQGL-KBXCAEBGSA-N 0 3 295.386 2.897 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCO1 ZINC000813216439 631882869 /nfs/dbraw/zinc/88/28/69/631882869.db2.gz RPZLCVVATVODKL-MFKMUULPSA-N 0 3 298.264 2.846 20 30 CFEDHN C#CC1CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000843427061 631955375 /nfs/dbraw/zinc/95/53/75/631955375.db2.gz STLJQPBVBWBKCJ-UHFFFAOYSA-N 0 3 283.350 2.857 20 30 CFEDHN C#CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000843427270 631955606 /nfs/dbraw/zinc/95/56/06/631955606.db2.gz XORAZPJXMRNEEQ-UHFFFAOYSA-N 0 3 260.356 2.737 20 30 CFEDHN CSCCCC=Nn1cnnc1-c1ccccc1 ZINC000814779014 632121874 /nfs/dbraw/zinc/12/18/74/632121874.db2.gz DKRIIIQIEGZYET-UHFFFAOYSA-N 0 3 260.366 2.922 20 30 CFEDHN CC(=NNC[C@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000814966384 632182614 /nfs/dbraw/zinc/18/26/14/632182614.db2.gz KYBKQZYNTZVFQW-AWEZNQCLSA-N 0 3 289.423 2.761 20 30 CFEDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1C ZINC000815163041 632221379 /nfs/dbraw/zinc/22/13/79/632221379.db2.gz GXTFBIQJYOZVHX-CHWSQXEVSA-N 0 3 280.375 2.799 20 30 CFEDHN C[C@H](C#N)OCCN1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844468776 632223403 /nfs/dbraw/zinc/22/34/03/632223403.db2.gz MMRFTZGFQFGQQN-CHWSQXEVSA-N 0 3 276.355 2.716 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000815600927 632296403 /nfs/dbraw/zinc/29/64/03/632296403.db2.gz IXIHGNZNFNPJFO-KGLIPLIRSA-N 0 3 263.381 2.844 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000815651927 632305888 /nfs/dbraw/zinc/30/58/88/632305888.db2.gz JASFIEPUMRQHSY-TZMCWYRMSA-N 0 3 290.382 2.624 20 30 CFEDHN CC[C@H]1CN(C)CCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816660647 632505911 /nfs/dbraw/zinc/50/59/11/632505911.db2.gz LFYJIFBMBLYYCG-HOCLYGCPSA-N 0 3 287.407 2.503 20 30 CFEDHN N#CCC1CCN(CC2(Br)CC2)CC1 ZINC000846851915 632821806 /nfs/dbraw/zinc/82/18/06/632821806.db2.gz YEPFLHCNDLTZHP-UHFFFAOYSA-N 0 3 257.175 2.540 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)cn1)[C@H](O)c1ccccc1 ZINC000846903739 632840463 /nfs/dbraw/zinc/84/04/63/632840463.db2.gz YBUBHTXSJJEGST-QZTJIDSGSA-N 0 3 295.386 2.801 20 30 CFEDHN CCN(Cc1ccc(C#N)cn1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000846913288 632843900 /nfs/dbraw/zinc/84/39/00/632843900.db2.gz RUFLFZXYBXBQGE-KBXCAEBGSA-N 0 3 295.386 2.897 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)OC[C@H](C)N1CCCCC1 ZINC000847963999 633172088 /nfs/dbraw/zinc/17/20/88/633172088.db2.gz VMPJFQKIYPTTQW-HOCLYGCPSA-N 0 3 283.412 2.633 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000107498199 633236919 /nfs/dbraw/zinc/23/69/19/633236919.db2.gz RMUULHOXMHDXCC-GOSISDBHSA-N 0 3 288.435 2.753 20 30 CFEDHN c1[nH]nc2ccc(N=NC3CCCN4CCCC[C@H]34)cc12 ZINC000848408679 633251100 /nfs/dbraw/zinc/25/11/00/633251100.db2.gz VUJVQPUWNKQPSR-MRXNPFEDSA-N 0 3 283.379 2.979 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OCC)c2)C1 ZINC000848923311 633405933 /nfs/dbraw/zinc/40/59/33/633405933.db2.gz IQZRDMLVOZTNFY-CQSZACIVSA-N 0 3 273.376 2.939 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(OC)cc2OC)C1 ZINC000848924223 633407263 /nfs/dbraw/zinc/40/72/63/633407263.db2.gz XVKOQRPLIGSTFG-ZDUSSCGKSA-N 0 3 259.349 2.549 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c(C)cc(OC)nc2C)C1 ZINC000848924396 633407467 /nfs/dbraw/zinc/40/74/67/633407467.db2.gz RIZRFNOBBUAVFT-AWEZNQCLSA-N 0 3 258.365 2.552 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)n1cc([C@H](C)N)nn1 ZINC000849150694 633568352 /nfs/dbraw/zinc/56/83/52/633568352.db2.gz OLLKJJHDZSVLNB-JSGCOSHPSA-N 0 3 256.353 2.658 20 30 CFEDHN C#C[C@@H](NCc1cc2ccncc2s1)[C@@H]1CCCO1 ZINC000850250869 633912680 /nfs/dbraw/zinc/91/26/80/633912680.db2.gz FDYXDBHJIRMCDB-KGLIPLIRSA-N 0 3 272.373 2.567 20 30 CFEDHN N#CC(C(=O)C1CC2(CC2)C1)c1nc2ccccc2[nH]1 ZINC000850739047 634069126 /nfs/dbraw/zinc/06/91/26/634069126.db2.gz RWHLFSSEBNZKDU-NSHDSACASA-N 0 3 265.316 2.929 20 30 CFEDHN C[C@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000850757120 634081805 /nfs/dbraw/zinc/08/18/05/634081805.db2.gz WNRXQNVKVKWNEI-BXKDBHETSA-N 0 3 289.722 2.537 20 30 CFEDHN CO[C@@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000850781919 634090844 /nfs/dbraw/zinc/09/08/44/634090844.db2.gz GJHJQOWRFOIICN-TUAOUCFPSA-N 0 3 284.315 2.819 20 30 CFEDHN C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000109769096 634233147 /nfs/dbraw/zinc/23/31/47/634233147.db2.gz BKSZRJKBHMJFQT-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1[O-] ZINC000109769096 634233152 /nfs/dbraw/zinc/23/31/52/634233152.db2.gz BKSZRJKBHMJFQT-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C#Cc1cccnc1NC[C@H](c1ccsc1)N(C)C ZINC000853145389 634919489 /nfs/dbraw/zinc/91/94/89/634919489.db2.gz DDUMVXVTMOCNAY-CQSZACIVSA-N 0 3 271.389 2.839 20 30 CFEDHN C#Cc1cccnc1NCCCN1CCc2ccccc2C1 ZINC000853150919 634920460 /nfs/dbraw/zinc/92/04/60/634920460.db2.gz KYMKKXSZXNCUMH-UHFFFAOYSA-N 0 3 291.398 2.923 20 30 CFEDHN N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CCN(C2CC2)C1 ZINC000853231022 634947221 /nfs/dbraw/zinc/94/72/21/634947221.db2.gz CSGLKFRHOYIGCT-SNVBAGLBSA-N 0 3 296.296 2.621 20 30 CFEDHN C[C@@H]1CCCCN1N=Cc1ccccc1N1CCOCC1 ZINC000853378980 634986860 /nfs/dbraw/zinc/98/68/60/634986860.db2.gz BDSINNQKWZQANV-OAHLLOKOSA-N 0 3 287.407 2.732 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000853598042 635046540 /nfs/dbraw/zinc/04/65/40/635046540.db2.gz IIOAWJMTXGAJDH-QLFBSQMISA-N 0 3 274.408 2.774 20 30 CFEDHN CC(C)C#CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000854304817 635283936 /nfs/dbraw/zinc/28/39/36/635283936.db2.gz AHCFRJUPMWMFQP-KRWDZBQOSA-N 0 3 284.403 2.599 20 30 CFEDHN C[C@H]1COC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000925488509 635394482 /nfs/dbraw/zinc/39/44/82/635394482.db2.gz KAJJXSVRSOYWQS-SMDDNHRTSA-N 0 3 283.293 2.681 20 30 CFEDHN CCc1ccc(C#CC(=O)N(CC)[C@@H]2CCN(CC)C2)cc1 ZINC000855487548 635564029 /nfs/dbraw/zinc/56/40/29/635564029.db2.gz WWHFSJMRXKFUHP-GOSISDBHSA-N 0 3 298.430 2.543 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)nc1 ZINC000858011072 636113964 /nfs/dbraw/zinc/11/39/64/636113964.db2.gz JSAIKBXQGBNYDQ-QGZVFWFLSA-N 0 3 293.370 2.915 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1ccccc1Br ZINC000858332410 636192804 /nfs/dbraw/zinc/19/28/04/636192804.db2.gz VAQQAQHGGCDOCL-ZDUSSCGKSA-N 0 3 296.208 2.967 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(OCCC)c(OC)c1 ZINC000858336024 636197558 /nfs/dbraw/zinc/19/75/58/636197558.db2.gz SBAGKFGJEUBQMZ-HNNXBMFYSA-N 0 3 291.391 2.612 20 30 CFEDHN C#CCCOC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000858914837 636381674 /nfs/dbraw/zinc/38/16/74/636381674.db2.gz CPMQBPXKNQHTDR-GDBMZVCRSA-N 0 3 286.375 2.571 20 30 CFEDHN C=CC[C@@H]1CCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000859444220 636564647 /nfs/dbraw/zinc/56/46/47/636564647.db2.gz HDGJLECGRRRXGH-RISCZKNCSA-N 0 3 267.319 2.896 20 30 CFEDHN CN(Cc1cc(Cl)ccc1OCC#N)CC1(C)COC1 ZINC000859565474 636603072 /nfs/dbraw/zinc/60/30/72/636603072.db2.gz KTATZVKAMRFPDE-UHFFFAOYSA-N 0 3 294.782 2.711 20 30 CFEDHN C[C@@H](CCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000160113519 650293779 /nfs/dbraw/zinc/29/37/79/650293779.db2.gz OLSIDKVZSSDUMZ-HOCLYGCPSA-N 0 3 298.386 2.902 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC(C1CCC1)C1CCC1 ZINC000861838579 637243488 /nfs/dbraw/zinc/24/34/88/637243488.db2.gz JHRINCSSGYPBTA-UHFFFAOYSA-N 0 3 290.451 2.664 20 30 CFEDHN Cc1c(F)nccc1CNCc1ccc(CC#N)cc1 ZINC000862398689 637358185 /nfs/dbraw/zinc/35/81/85/637358185.db2.gz NTFFLSUXXVKQNV-UHFFFAOYSA-N 0 3 269.323 2.885 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000862443659 637384136 /nfs/dbraw/zinc/38/41/36/637384136.db2.gz RRMMYKZOEHWVJF-LBPRGKRZSA-N 0 3 291.778 2.956 20 30 CFEDHN C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862445032 637385350 /nfs/dbraw/zinc/38/53/50/637385350.db2.gz KACRXTIWZSXHQJ-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000862445032 637385355 /nfs/dbraw/zinc/38/53/55/637385355.db2.gz KACRXTIWZSXHQJ-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccnn2-c2ccccc2OC)C1 ZINC000862447328 637387218 /nfs/dbraw/zinc/38/72/18/637387218.db2.gz LQEIBQNJQURZDC-OAHLLOKOSA-N 0 3 295.386 2.726 20 30 CFEDHN S=c1[n-]c2ccccc2nc1N=NC1C[NH+]2CCC1CC2 ZINC000863128283 637567323 /nfs/dbraw/zinc/56/73/23/637567323.db2.gz JFXRORXEYVVFHX-UHFFFAOYSA-N 0 3 299.403 2.786 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1c(C)cc(C)cc1O ZINC000863159379 637573824 /nfs/dbraw/zinc/57/38/24/637573824.db2.gz OKGZPUDJTCNKQP-UHFFFAOYSA-N 0 3 269.348 2.970 20 30 CFEDHN Cc1cc(NN=Cc2cnc([C@H]3CCCO3)s2)ccn1 ZINC000863159361 637574257 /nfs/dbraw/zinc/57/42/57/637574257.db2.gz NQAPFIGEFAFNLN-CYBMUJFWSA-N 0 3 288.376 2.566 20 30 CFEDHN COc1cc(C)c(C=NNc2ccnc(C)c2)cc1OC ZINC000863159396 637574359 /nfs/dbraw/zinc/57/43/59/637574359.db2.gz PEDCGFQBKBVKAG-UHFFFAOYSA-N 0 3 285.347 2.584 20 30 CFEDHN C=CCC[C@H](CCC)N[C@@H](C)c1nnnn1C1CC1 ZINC000189114905 650361634 /nfs/dbraw/zinc/36/16/34/650361634.db2.gz ZIIGKGQNNMSADG-RYUDHWBXSA-N 0 3 263.389 2.794 20 30 CFEDHN C=CCCOc1ccccc1-c1cnn2c1CNCC2 ZINC000863719684 637758659 /nfs/dbraw/zinc/75/86/59/637758659.db2.gz MBTBQNMBVSQKDW-UHFFFAOYSA-N 0 3 269.348 2.608 20 30 CFEDHN C=CCN(CC[C@@H]1CCOC1=O)Cc1cccs1 ZINC000120036785 637960382 /nfs/dbraw/zinc/96/03/82/637960382.db2.gz ZLEIWERMKBHQMW-GFCCVEGCSA-N 0 3 265.378 2.689 20 30 CFEDHN C=CCCC(C)(C)CNCc1nn(CC)nc1C ZINC000865678704 638506852 /nfs/dbraw/zinc/50/68/52/638506852.db2.gz CQRTYGKYQIWXLF-UHFFFAOYSA-N 0 3 250.390 2.688 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1coc(C#N)c1 ZINC000866353746 638802522 /nfs/dbraw/zinc/80/25/22/638802522.db2.gz ASHRZLURORYHQK-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN C[C@@H](NC(=O)c1coc(C#N)c1)[C@@H](c1ccccc1)N(C)C ZINC000867469863 638879907 /nfs/dbraw/zinc/87/99/07/638879907.db2.gz IIKVEVRCRKAKPP-WBMJQRKESA-N 0 3 297.358 2.572 20 30 CFEDHN CN(Cc1ccc2cc[nH]c2c1)C(=O)[C@H](N)CCCCC#N ZINC000868048704 638918468 /nfs/dbraw/zinc/91/84/68/638918468.db2.gz XIPDGRMCNAWCRJ-OAHLLOKOSA-N 0 3 298.390 2.538 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000191764230 650522092 /nfs/dbraw/zinc/52/20/92/650522092.db2.gz OTXRQLRRKHQJLR-AWEZNQCLSA-N 0 3 274.364 2.612 20 30 CFEDHN COc1ccc(CN[C@@H](C)c2ccc(OCC#N)cc2)cn1 ZINC000192950304 650611211 /nfs/dbraw/zinc/61/12/11/650611211.db2.gz QFFFPLCTKZCVOA-ZDUSSCGKSA-N 0 3 297.358 2.843 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CC2CC2)cc1 ZINC000080048827 650640564 /nfs/dbraw/zinc/64/05/64/650640564.db2.gz OKFZRXFOYTXEFN-HNNXBMFYSA-N 0 3 299.418 2.972 20 30 CFEDHN Cc1ccc(SCCCN2CCN(C)CC2)c(C#N)c1 ZINC000871687300 641404687 /nfs/dbraw/zinc/40/46/87/641404687.db2.gz XHMCVICGZTWTIT-UHFFFAOYSA-N 0 3 289.448 2.596 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C)o2)cc1 ZINC000193495762 650662427 /nfs/dbraw/zinc/66/24/27/650662427.db2.gz AJJIIKKUTLXPNU-ZDUSSCGKSA-N 0 3 298.298 2.558 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872078589 641611250 /nfs/dbraw/zinc/61/12/50/641611250.db2.gz BSSXCLCJEOZRLG-SUNKGSAMSA-N 0 3 265.328 2.773 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCCc3ccccc3C2)nn1 ZINC000872078970 641611378 /nfs/dbraw/zinc/61/13/78/641611378.db2.gz FKJGPTYZWHICCM-QGZVFWFLSA-N 0 3 296.418 2.891 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cc(O)ccc1F ZINC000872086260 641620057 /nfs/dbraw/zinc/62/00/57/641620057.db2.gz SZLNZKFOSMYVCB-LLVKDONJSA-N 0 3 253.317 2.775 20 30 CFEDHN C#CCCCCCN1CCN(C)c2ncccc2C1 ZINC000872319137 641755473 /nfs/dbraw/zinc/75/54/73/641755473.db2.gz HGGYSLIPVBJTHO-UHFFFAOYSA-N 0 3 257.381 2.527 20 30 CFEDHN CN1CCC[C@@H]2[C@@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780988 641935026 /nfs/dbraw/zinc/93/50/26/641935026.db2.gz OWOPUZYHZZVGAD-LSDHHAIUSA-N 0 3 298.434 2.924 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2cnn(-c3ccccc3)n2)CC1 ZINC000873198691 642062673 /nfs/dbraw/zinc/06/26/73/642062673.db2.gz WBNYNGFLYIFYKC-SHTZXODSSA-N 0 3 280.375 2.549 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(C)c1C ZINC000876545196 642913170 /nfs/dbraw/zinc/91/31/70/642913170.db2.gz IGZYMOJRWNZFAE-LLVKDONJSA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1C ZINC000876546135 642914281 /nfs/dbraw/zinc/91/42/81/642914281.db2.gz ZIUBLNPULOCYOL-NSHDSACASA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCc1ccccc1 ZINC000876548253 642916453 /nfs/dbraw/zinc/91/64/53/642916453.db2.gz ZLMKEMQCVGJSIZ-OCCSQVGLSA-N 0 3 280.799 2.594 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000876548252 642916643 /nfs/dbraw/zinc/91/66/43/642916643.db2.gz ZLMKEMQCVGJSIZ-JSGCOSHPSA-N 0 3 280.799 2.594 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2[C@H](C)C1 ZINC000876561104 642923441 /nfs/dbraw/zinc/92/34/41/642923441.db2.gz LKEKIJWDCMZFKT-YGRLFVJLSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000876562465 642924068 /nfs/dbraw/zinc/92/40/68/642924068.db2.gz QPOOEOMNDAGNGS-WDEREUQCSA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(Cl)s1 ZINC000876562989 642924739 /nfs/dbraw/zinc/92/47/39/642924739.db2.gz ZSZZDYBUOREITC-SECBINFHSA-N 0 3 293.219 2.830 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000876564907 642926269 /nfs/dbraw/zinc/92/62/69/642926269.db2.gz QSMVAGHOFMRUSS-AWEZNQCLSA-N 0 3 296.773 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000876570706 642928207 /nfs/dbraw/zinc/92/82/07/642928207.db2.gz MCWNEEYUERHPOD-KGLIPLIRSA-N 0 3 278.783 2.724 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000876574627 642928957 /nfs/dbraw/zinc/92/89/57/642928957.db2.gz GVKCDMNKJRWLJJ-AWEZNQCLSA-N 0 3 278.783 2.648 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(F)c(C)c1 ZINC000876577692 642931071 /nfs/dbraw/zinc/93/10/71/642931071.db2.gz JVQRXGIYSHJFLZ-NSHDSACASA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000876585514 642934135 /nfs/dbraw/zinc/93/41/35/642934135.db2.gz NAIYXXBPUPNQIC-AWEZNQCLSA-N 0 3 296.773 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C1CCC(CC)CC1 ZINC000876588410 642935236 /nfs/dbraw/zinc/93/52/36/642935236.db2.gz FYVXNDHWSGMZPB-WXRRBKDZSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(F)cc1OCC ZINC000876589195 642936173 /nfs/dbraw/zinc/93/61/73/642936173.db2.gz KGDNFQHHOHCGJB-SNVBAGLBSA-N 0 3 286.734 2.633 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CC)c1ccccc1OC ZINC000876592191 642937065 /nfs/dbraw/zinc/93/70/65/642937065.db2.gz RPNLJVTUYBURHX-CHWSQXEVSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cccc(OCC)c1 ZINC000876613833 642944828 /nfs/dbraw/zinc/94/48/28/642944828.db2.gz VLKLBAXTKNPPES-SMDDNHRTSA-N 0 3 296.798 2.732 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)[C@H](N)CC(=C)Cl ZINC000876614710 642945831 /nfs/dbraw/zinc/94/58/31/642945831.db2.gz SOQKKINLKWZLAN-CQSZACIVSA-N 0 3 296.773 2.810 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000876650220 642959202 /nfs/dbraw/zinc/95/92/02/642959202.db2.gz PQCDCLRJONPKAB-GXTWGEPZSA-N 0 3 280.799 2.951 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC1(CC(C)C)CCC1 ZINC000876666145 642964121 /nfs/dbraw/zinc/96/41/21/642964121.db2.gz MSXIQXPJSSOYTK-LBPRGKRZSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCCC[C@H]1CC ZINC000876671113 642966608 /nfs/dbraw/zinc/96/66/08/642966608.db2.gz KAXLPUWNYYSPAM-NEPJUHHUSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)CC ZINC000876674670 642968036 /nfs/dbraw/zinc/96/80/36/642968036.db2.gz PVRTUECLOYVRBD-DRZSPHRISA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cc(C(CC)CC)no1 ZINC000876682816 642971452 /nfs/dbraw/zinc/97/14/52/642971452.db2.gz MSXSHVGRGOZYNL-LBPRGKRZSA-N 0 3 299.802 2.664 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)nn1CCCCC ZINC000876687769 642973824 /nfs/dbraw/zinc/97/38/24/642973824.db2.gz RYBDHCOVHNRBHM-GFCCVEGCSA-N 0 3 298.818 2.790 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC)c1ccccn1 ZINC000876755142 642995038 /nfs/dbraw/zinc/99/50/38/642995038.db2.gz RURNQWFBRFFQDF-YPMHNXCESA-N 0 3 281.787 2.509 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC)c1ccccn1 ZINC000876755141 642995461 /nfs/dbraw/zinc/99/54/61/642995461.db2.gz RURNQWFBRFFQDF-WCQYABFASA-N 0 3 281.787 2.509 20 30 CFEDHN C=CC[C@@H](NC(=O)[C@H](N)CCC(C)C)c1ccncc1 ZINC000876764594 643000295 /nfs/dbraw/zinc/00/02/95/643000295.db2.gz QMGGLFVOSFABMX-HUUCEWRRSA-N 0 3 275.396 2.579 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2C[C@@H]1CC ZINC000876885916 643051884 /nfs/dbraw/zinc/05/18/84/643051884.db2.gz RRBUQVRSAWGPNL-LSDHHAIUSA-N 0 3 292.810 2.820 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(C)oc2ccccc21 ZINC000876900990 643056691 /nfs/dbraw/zinc/05/66/91/643056691.db2.gz WCJSAHUHJQYPDP-CYBMUJFWSA-N 0 3 292.766 2.827 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000876931220 643069460 /nfs/dbraw/zinc/06/94/60/643069460.db2.gz USJWHEOEHYGUFE-XQQFMLRXSA-N 0 3 270.804 2.541 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CC(=C)Cl ZINC000876956850 643079627 /nfs/dbraw/zinc/07/96/27/643079627.db2.gz PDHBBWCCCUYYCM-FRRDWIJNSA-N 0 3 270.804 2.707 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)C1CCCCC1 ZINC000876977086 643090291 /nfs/dbraw/zinc/09/02/91/643090291.db2.gz WMTFPNYSNMHOQV-ZWNOBZJWSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(C)CCC(C)(C)CC1 ZINC000877034561 643113234 /nfs/dbraw/zinc/11/32/34/643113234.db2.gz KKBHLGMFHYCKHN-NSHDSACASA-N 0 3 272.820 2.931 20 30 CFEDHN C=CC[C@@H](NCc1cc(C(=O)OC)c(C)[nH]1)c1ccncc1 ZINC000877047159 643119337 /nfs/dbraw/zinc/11/93/37/643119337.db2.gz YJDJJKJRNFSDNC-MRXNPFEDSA-N 0 3 299.374 2.912 20 30 CFEDHN CSCC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877054841 643123374 /nfs/dbraw/zinc/12/33/74/643123374.db2.gz IKTPTBRVKRSFCA-SECBINFHSA-N 0 3 269.801 2.838 20 30 CFEDHN CCOCCC1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877114600 643157445 /nfs/dbraw/zinc/15/74/45/643157445.db2.gz VKENTQYPIIPFIQ-UHFFFAOYSA-N 0 3 293.798 2.903 20 30 CFEDHN CO[C@H]1CCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877132152 643170084 /nfs/dbraw/zinc/17/00/84/643170084.db2.gz WHLQTYWVFGJJHM-AAEUAGOBSA-N 0 3 279.771 2.511 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000877229176 643208900 /nfs/dbraw/zinc/20/89/00/643208900.db2.gz IRNSELCUTUHJAJ-NSHDSACASA-N 0 3 285.269 2.723 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000877303415 643226437 /nfs/dbraw/zinc/22/64/37/643226437.db2.gz GFBGNGITQOQJHM-OAHLLOKOSA-N 0 3 274.408 2.665 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000877425777 643266154 /nfs/dbraw/zinc/26/61/54/643266154.db2.gz PEVSLGUCYQJLFP-KOLCDFICSA-N 0 3 260.809 2.597 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)[C@H](N)CCCC#N)C1 ZINC000877455701 643277928 /nfs/dbraw/zinc/27/79/28/643277928.db2.gz KKRYZUWXBGIRNR-XJKCOSOUSA-N 0 3 279.428 2.729 20 30 CFEDHN C#C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000877513393 643320042 /nfs/dbraw/zinc/32/00/42/643320042.db2.gz UPENJCFILFMKAN-QGZVFWFLSA-N 0 3 284.403 2.670 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H](OC)C1CCOCC1 ZINC000877523228 643327897 /nfs/dbraw/zinc/32/78/97/643327897.db2.gz JLHNTMRALAOXPH-SFHVURJKSA-N 0 3 287.403 2.563 20 30 CFEDHN COc1ccc(O)c([C@@H](C)NCc2cccc(C#N)n2)c1 ZINC000877532995 643335950 /nfs/dbraw/zinc/33/59/50/643335950.db2.gz JAGVNLBUYBYNSJ-LLVKDONJSA-N 0 3 283.331 2.518 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877588400 643383050 /nfs/dbraw/zinc/38/30/50/643383050.db2.gz PIENNHBJSPWUDS-ZUZCIYMTSA-N 0 3 293.798 2.900 20 30 CFEDHN CCOC(=O)[C@]1(F)CN(C[C@H](C)CCC#N)CC12CCC2 ZINC000877622882 643408850 /nfs/dbraw/zinc/40/88/50/643408850.db2.gz VCYNOOIISPEWEG-CZUORRHYSA-N 0 3 296.386 2.684 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000877736621 643495580 /nfs/dbraw/zinc/49/55/80/643495580.db2.gz AECAEVDJCCFUOY-CVEARBPZSA-N 0 3 287.428 2.884 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877736623 643495769 /nfs/dbraw/zinc/49/57/69/643495769.db2.gz AECAEVDJCCFUOY-HOTGVXAUSA-N 0 3 287.428 2.884 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877916900 643640203 /nfs/dbraw/zinc/64/02/03/643640203.db2.gz LOPMDJYKZPCELU-IKGGRYGDSA-N 0 3 270.376 2.948 20 30 CFEDHN C=CC[C@@H](C)N1CCN(Cc2csc(C)n2)CC1 ZINC000877920441 643642814 /nfs/dbraw/zinc/64/28/14/643642814.db2.gz NSACHLOIDQCENQ-GFCCVEGCSA-N 0 3 265.426 2.534 20 30 CFEDHN CC(=O)[C@](C#N)(CCN(C)CC1CC1)c1ccccc1 ZINC000877971990 643672124 /nfs/dbraw/zinc/67/21/24/643672124.db2.gz BHXUVNGPJPLWNW-QGZVFWFLSA-N 0 3 270.376 2.769 20 30 CFEDHN C=CC[C@H](C)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000878100548 643735515 /nfs/dbraw/zinc/73/55/15/643735515.db2.gz WDJLOBKVQXFMPU-WFASDCNBSA-N 0 3 276.355 2.827 20 30 CFEDHN C#C[C@@](C)(CC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000878182499 643781482 /nfs/dbraw/zinc/78/14/82/643781482.db2.gz LPAUIWDDFGDWHE-INIZCTEOSA-N 0 3 273.380 2.672 20 30 CFEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)CC1(CC#N)CC1 ZINC000878244338 643806234 /nfs/dbraw/zinc/80/62/34/643806234.db2.gz NUOTUKNYRMXFLL-LBPRGKRZSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCCCCCN[C@H](C)c1nnc2n1CCCCC2 ZINC000878413515 643881807 /nfs/dbraw/zinc/88/18/07/643881807.db2.gz FHMIVLGLXCNGKZ-CQSZACIVSA-N 0 3 274.412 2.849 20 30 CFEDHN C#CCN(CCCCC(=O)OC(C)(C)C)C1CSC1 ZINC000878909509 644071265 /nfs/dbraw/zinc/07/12/65/644071265.db2.gz DRYJKQVMURXLFK-UHFFFAOYSA-N 0 3 283.437 2.549 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(OCC)CC1 ZINC000091678476 650905570 /nfs/dbraw/zinc/90/55/70/650905570.db2.gz UYNJIIOYCBPZPA-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN C[C@@H](c1cnccn1)N(C)CCc1cccc(C#N)c1 ZINC000879432806 644270071 /nfs/dbraw/zinc/27/00/71/644270071.db2.gz HPSMGAHJFRSIQS-ZDUSSCGKSA-N 0 3 266.348 2.584 20 30 CFEDHN CCCCCCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247391742 650906486 /nfs/dbraw/zinc/90/64/86/650906486.db2.gz QLZUXZKCNQJABD-CABCVRRESA-N 0 3 255.402 2.837 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC000879500643 644293696 /nfs/dbraw/zinc/29/36/96/644293696.db2.gz ULJOKCVTTLODGH-NUEKZKHPSA-N 0 3 282.391 2.558 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC000879500644 644293738 /nfs/dbraw/zinc/29/37/38/644293738.db2.gz ULJOKCVTTLODGH-VNQPRFMTSA-N 0 3 282.391 2.558 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098247 644531903 /nfs/dbraw/zinc/53/19/03/644531903.db2.gz JFVOUZIJZHKZQX-KOLCDFICSA-N 0 3 274.286 2.688 20 30 CFEDHN CC(C)(O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000880146908 644554784 /nfs/dbraw/zinc/55/47/84/644554784.db2.gz ZNYYJVOZNMCFDT-CQSZACIVSA-N 0 3 277.795 2.784 20 30 CFEDHN N#CC1(CCN2CCNC(=O)CC23CCC3)CCCCC1 ZINC000880166572 644561345 /nfs/dbraw/zinc/56/13/45/644561345.db2.gz BVGIABOAXGWAHU-UHFFFAOYSA-N 0 3 289.423 2.595 20 30 CFEDHN COCC1(N(C)Cc2cc(C#N)ccc2OC)CCC1 ZINC000880186070 644568918 /nfs/dbraw/zinc/56/89/18/644568918.db2.gz OMDHSEVXXINIAK-UHFFFAOYSA-N 0 3 274.364 2.568 20 30 CFEDHN CC(=O)[C@](C#N)(CCN1CC[C@@H](CF)C1)c1ccccc1 ZINC000880300705 644641901 /nfs/dbraw/zinc/64/19/01/644641901.db2.gz HPXYZWGENHKCLO-DOTOQJQBSA-N 0 3 288.366 2.718 20 30 CFEDHN C=CCCC[C@@H](NCC(=O)NC1CC1)c1ccccc1 ZINC000880390301 644686958 /nfs/dbraw/zinc/68/69/58/644686958.db2.gz XMMPRKMYPNOFAC-MRXNPFEDSA-N 0 3 272.392 2.952 20 30 CFEDHN C#CCC1(O)CCN(Cc2cccc(SC)c2)CC1 ZINC000880482554 644731878 /nfs/dbraw/zinc/73/18/78/644731878.db2.gz NCAPKUBIKYRJAC-UHFFFAOYSA-N 0 3 275.417 2.759 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@]23CCCO3)c(F)c1 ZINC000880510701 644744007 /nfs/dbraw/zinc/74/40/07/644744007.db2.gz HHTOTMAYLTYHAM-CVEARBPZSA-N 0 3 274.339 2.889 20 30 CFEDHN CCN(Cc1ccccn1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000094915644 650965290 /nfs/dbraw/zinc/96/52/90/650965290.db2.gz BISCAMOZMUKBFX-QGZVFWFLSA-N 0 3 281.359 2.509 20 30 CFEDHN C=CCN1CCC(Nc2nnc(Cl)c(C)c2C)CC1 ZINC000881947065 645161379 /nfs/dbraw/zinc/16/13/79/645161379.db2.gz FOAKEYGSKRVWIE-UHFFFAOYSA-N 0 3 280.803 2.809 20 30 CFEDHN Cc1nc(C#N)cc(SCCN(C)Cc2ccccc2)n1 ZINC000882279929 645261103 /nfs/dbraw/zinc/26/11/03/645261103.db2.gz DJWYPRZJTDTVDQ-UHFFFAOYSA-N 0 3 298.415 2.881 20 30 CFEDHN C=CCC[C@H](NCc1c(C)noc1C)[C@H]1CCCO1 ZINC000883176990 645641515 /nfs/dbraw/zinc/64/15/15/645641515.db2.gz OXOUDWRNHFWTMW-LSDHHAIUSA-N 0 3 264.369 2.895 20 30 CFEDHN C=CCC[C@H](NCc1ccn(C)n1)[C@H]1Cc2ccccc2O1 ZINC000883208212 645665721 /nfs/dbraw/zinc/66/57/21/645665721.db2.gz BDQFSFOAFWDWNB-FUHWJXTLSA-N 0 3 297.402 2.848 20 30 CFEDHN C#CC1(NCc2cnc3c(C)cccn23)CCCC1 ZINC000883362458 645769284 /nfs/dbraw/zinc/76/92/84/645769284.db2.gz DLQSBNIVERJBIJ-UHFFFAOYSA-N 0 3 253.349 2.678 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1nc2ccccc2n1C ZINC000883390846 645789220 /nfs/dbraw/zinc/78/92/20/645789220.db2.gz WAWCQLZMOXBECO-STQMWFEESA-N 0 3 273.380 2.551 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000883392057 645791163 /nfs/dbraw/zinc/79/11/63/645791163.db2.gz ZFJHHXZXGWPOFV-YPMHNXCESA-N 0 3 262.328 2.675 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(O)ccc1F ZINC000883392111 645791265 /nfs/dbraw/zinc/79/12/65/645791265.db2.gz AOUODXLQSSOEPC-GHMZBOCLSA-N 0 3 253.317 2.509 20 30 CFEDHN CC[C@@H](N[C@@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883395274 645793585 /nfs/dbraw/zinc/79/35/85/645793585.db2.gz QHXUFJPQWYYRNX-IAGOWNOFSA-N 0 3 297.402 2.610 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1ccccc1Br ZINC000883401163 645797636 /nfs/dbraw/zinc/79/76/36/645797636.db2.gz DRDQXOBKPHRTBE-GFCCVEGCSA-N 0 3 284.197 2.866 20 30 CFEDHN C=CC(C)(C)CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000884409172 646344926 /nfs/dbraw/zinc/34/49/26/646344926.db2.gz BSQRBPMFPHNPHB-HNNXBMFYSA-N 0 3 288.391 2.888 20 30 CFEDHN C#CCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000135872107 646661598 /nfs/dbraw/zinc/66/15/98/646661598.db2.gz WOTXTLVEYXGYAA-CRAIPNDOSA-N 0 3 285.435 2.556 20 30 CFEDHN C=C(CC)COC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885479301 646694609 /nfs/dbraw/zinc/69/46/09/646694609.db2.gz ZLEHMJSNTSIIFT-GFCCVEGCSA-N 0 3 267.369 2.533 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000885937832 646774632 /nfs/dbraw/zinc/77/46/32/646774632.db2.gz LKYRTDRZVJSLCH-IAGOWNOFSA-N 0 3 270.376 2.948 20 30 CFEDHN CN(Cc1ccsc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885938249 646775890 /nfs/dbraw/zinc/77/58/90/646775890.db2.gz VZHABOVCQIBPSD-CYBMUJFWSA-N 0 3 264.394 2.625 20 30 CFEDHN C[C@H](c1ccco1)N(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885967293 646788391 /nfs/dbraw/zinc/78/83/91/646788391.db2.gz LPFKVPGZSLHJMP-CHWSQXEVSA-N 0 3 262.353 2.717 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886043948 646838457 /nfs/dbraw/zinc/83/84/57/646838457.db2.gz NGROESHWRHUMFK-DOTOQJQBSA-N 0 3 299.418 2.972 20 30 CFEDHN C=CCOCCNCc1ccccc1OCC(F)F ZINC000886059747 646848409 /nfs/dbraw/zinc/84/84/09/646848409.db2.gz KWXJREBWYCZITN-UHFFFAOYSA-N 0 3 271.307 2.623 20 30 CFEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1ccccn1 ZINC000136539686 646866647 /nfs/dbraw/zinc/86/66/47/646866647.db2.gz NIDQRYKGRNQEAC-IHVVCDCBSA-N 0 3 267.263 2.505 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC=C(c3cccnc3)C2)CCC1 ZINC000886206109 646921168 /nfs/dbraw/zinc/92/11/68/646921168.db2.gz IZUKKTLASHEHIO-KRWDZBQOSA-N 0 3 297.402 2.616 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354103 646982834 /nfs/dbraw/zinc/98/28/34/646982834.db2.gz VZVUZJUEWPGSAN-CABCVRRESA-N 0 3 270.376 2.667 20 30 CFEDHN C#CCN(C(=O)c1coc2ccccc21)C1CCN(C)CC1 ZINC000886580875 647053815 /nfs/dbraw/zinc/05/38/15/647053815.db2.gz ATQHQEDSGYAXKD-UHFFFAOYSA-N 0 3 296.370 2.602 20 30 CFEDHN C#CCN(C(=O)[C@@H](CC)CCCC)C1CCN(C)CC1 ZINC000886583445 647054720 /nfs/dbraw/zinc/05/47/20/647054720.db2.gz QMTTYXOZYRRVOO-HNNXBMFYSA-N 0 3 278.440 2.759 20 30 CFEDHN C#CCN1CCC[C@@H](N[C@H](C)c2cccc(F)c2F)C1 ZINC000886661049 647095485 /nfs/dbraw/zinc/09/54/85/647095485.db2.gz LEJPGOLOHWNGFU-CHWSQXEVSA-N 0 3 278.346 2.713 20 30 CFEDHN C#CCN1CCC[C@@H]([NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000886663037 647096828 /nfs/dbraw/zinc/09/68/28/647096828.db2.gz RTXAAVFTEWEFLU-GDBMZVCRSA-N 0 3 272.392 2.531 20 30 CFEDHN C=CCC1(O)CCN(C[C@H]2CC2(Cl)Cl)CC1 ZINC000886755309 647127814 /nfs/dbraw/zinc/12/78/14/647127814.db2.gz DZPGTEIXDGLLKE-SNVBAGLBSA-N 0 3 264.196 2.583 20 30 CFEDHN C=CCC1(O)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000886776395 647133217 /nfs/dbraw/zinc/13/32/17/647133217.db2.gz FKMGLGVYNFMEKY-OAHLLOKOSA-N 0 3 295.810 2.776 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]([C@H]3CCCO3)C2)ccc1F ZINC000886829665 647154487 /nfs/dbraw/zinc/15/44/87/647154487.db2.gz FHQQRJBFMDGPQJ-CZUORRHYSA-N 0 3 274.339 2.698 20 30 CFEDHN C#CCNC(=O)CN[C@@H](CC)c1cccc2ccccc21 ZINC000886918053 647174666 /nfs/dbraw/zinc/17/46/66/647174666.db2.gz QMALCGZCBUMRRD-KRWDZBQOSA-N 0 3 280.371 2.630 20 30 CFEDHN OC1(C2(CNCC#Cc3ccccc3)CCC2)CCC1 ZINC000886980885 647188420 /nfs/dbraw/zinc/18/84/20/647188420.db2.gz MROJJXFDZJDTJX-UHFFFAOYSA-N 0 3 269.388 2.713 20 30 CFEDHN C[C@H]1CN(CCCCC2(C#N)CCC2)C[C@]2(CCOC2)O1 ZINC000930294277 647894025 /nfs/dbraw/zinc/89/40/25/647894025.db2.gz MPMVWAMKZJVZQT-RDJZCZTQSA-N 0 3 292.423 2.730 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)CC#N)cc1C(F)(F)F ZINC000924893832 648067783 /nfs/dbraw/zinc/06/77/83/648067783.db2.gz ZDEXYNZPLYYQRT-UHFFFAOYSA-N 0 3 285.269 2.619 20 30 CFEDHN CCn1nc(C)c(CN[C@H](C)CC(C)(C)C#N)c1C ZINC000924926927 648073839 /nfs/dbraw/zinc/07/38/39/648073839.db2.gz ZKJDHOUWYFWPKR-LLVKDONJSA-N 0 3 262.401 2.938 20 30 CFEDHN C#CCSCC[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000925455131 648173233 /nfs/dbraw/zinc/17/32/33/648173233.db2.gz KGKSCRDHNCXYHZ-SNVBAGLBSA-N 0 3 253.342 2.548 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccnn1C1CCC1 ZINC000925532670 648203578 /nfs/dbraw/zinc/20/35/78/648203578.db2.gz UFTFKNANLSSFLT-ZDUSSCGKSA-N 0 3 263.385 2.851 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cc(N)ccn1 ZINC000925771931 648316453 /nfs/dbraw/zinc/31/64/53/648316453.db2.gz OYCGARWDGKXBMJ-QGZVFWFLSA-N 0 3 278.359 2.703 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926154130 648418624 /nfs/dbraw/zinc/41/86/24/648418624.db2.gz RVSQDXZMPJAXGT-GXTWGEPZSA-N 0 3 272.348 2.929 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(C2CCC2)c1 ZINC000926524005 648518833 /nfs/dbraw/zinc/51/88/33/648518833.db2.gz AIIIPJYQBVIAAT-GLQYFDAESA-N 0 3 261.369 2.602 20 30 CFEDHN C=CCC[C@H](CO)N[C@H]1CCc2c1nccc2Cl ZINC000926546896 648527521 /nfs/dbraw/zinc/52/75/21/648527521.db2.gz YOXNKGWKQJQZHM-MFKMUULPSA-N 0 3 266.772 2.639 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)C(C(C)C)C(C)C)nn1 ZINC000926614211 648550954 /nfs/dbraw/zinc/55/09/54/648550954.db2.gz JSXMWNQBFGOMJG-ZDUSSCGKSA-N 0 3 264.417 2.870 20 30 CFEDHN C=CCn1cc(CN[C@H](C)C(C(C)C)C(C)C)nn1 ZINC000926614210 648551388 /nfs/dbraw/zinc/55/13/88/648551388.db2.gz JSXMWNQBFGOMJG-CYBMUJFWSA-N 0 3 264.417 2.870 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cn2c(n1)CCCC2 ZINC000926679093 648572438 /nfs/dbraw/zinc/57/24/38/648572438.db2.gz AODJERFJGWWAPX-AWEZNQCLSA-N 0 3 294.402 2.984 20 30 CFEDHN C=C1CCC(CN[C@H](C)c2cc(CO)on2)CC1 ZINC000926926322 648660613 /nfs/dbraw/zinc/66/06/13/648660613.db2.gz WNAODVPFTSKEBF-LLVKDONJSA-N 0 3 250.342 2.564 20 30 CFEDHN CC[C@H](NCc1ccc(C)c(C#N)c1)c1cnn(C)c1 ZINC000926966579 648674310 /nfs/dbraw/zinc/67/43/10/648674310.db2.gz KOOKITDWUQOQMS-INIZCTEOSA-N 0 3 268.364 2.841 20 30 CFEDHN CCC[C@@H](O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000927019012 648685302 /nfs/dbraw/zinc/68/53/02/648685302.db2.gz QDBPRKMNRMKNCX-DGCLKSJQSA-N 0 3 264.344 2.899 20 30 CFEDHN CCC[C@H](O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000927019016 648685411 /nfs/dbraw/zinc/68/54/11/648685411.db2.gz QDBPRKMNRMKNCX-YPMHNXCESA-N 0 3 264.344 2.899 20 30 CFEDHN Cc1cc([C@@H](C)NCCNc2ccc(C#N)cn2)c(C)o1 ZINC000927161883 648732639 /nfs/dbraw/zinc/73/26/39/648732639.db2.gz BLYSMFYCGKFBSN-GFCCVEGCSA-N 0 3 284.363 2.926 20 30 CFEDHN CCC[C@@H](NCCNc1ccc(C#N)cn1)c1ccccn1 ZINC000927164985 648733707 /nfs/dbraw/zinc/73/37/07/648733707.db2.gz QSMDRTGNBOVOOX-OAHLLOKOSA-N 0 3 295.390 2.891 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(C2CCCCC2)CC1 ZINC000929282487 649022332 /nfs/dbraw/zinc/02/23/32/649022332.db2.gz ALIDTFFPARIGFE-OAHLLOKOSA-N 0 3 250.386 2.553 20 30 CFEDHN CCN(CCOC)Cc1cc(Cl)cc(C#N)c1 ZINC000929342105 649034425 /nfs/dbraw/zinc/03/44/25/649034425.db2.gz WNZLHFKUQHIALN-UHFFFAOYSA-N 0 3 252.745 2.680 20 30 CFEDHN CCOCCN1CCN(CCCCC2(C#N)CCC2)CC1 ZINC000929544440 649069036 /nfs/dbraw/zinc/06/90/36/649069036.db2.gz IGPRLLHSSNHABK-UHFFFAOYSA-N 0 3 293.455 2.505 20 30 CFEDHN C=CC1CCN(C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000929617791 649080030 /nfs/dbraw/zinc/08/00/30/649080030.db2.gz KJWDMKZBPLLGTR-VXGBXAGGSA-N 0 3 263.303 2.994 20 30 CFEDHN C=CC1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000929619764 649080248 /nfs/dbraw/zinc/08/02/48/649080248.db2.gz XDOOVLDZTFDYLP-JTQLQIEISA-N 0 3 287.272 2.833 20 30 CFEDHN COc1ccccc1[C@H]1CCN(Cc2cncc(C#N)c2)C1 ZINC000929689753 649097991 /nfs/dbraw/zinc/09/79/91/649097991.db2.gz BVQPEDFDMANAQL-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN N#Cc1ccc(C2=CCN(CCOC3CC3)CC2)cc1 ZINC000930157964 649195052 /nfs/dbraw/zinc/19/50/52/649195052.db2.gz JFCRXRZOPZIYPJ-UHFFFAOYSA-N 0 3 268.360 2.826 20 30 CFEDHN N#CC[C@@H](O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000930206644 649206777 /nfs/dbraw/zinc/20/67/77/649206777.db2.gz RAXCDMRGPOWSGZ-CVEARBPZSA-N 0 3 276.355 2.921 20 30 CFEDHN COc1ccc(O)c([C@H](C)NCc2cncc(C#N)c2)c1 ZINC000930216981 649207853 /nfs/dbraw/zinc/20/78/53/649207853.db2.gz PVSAGUOJJMLVIV-NSHDSACASA-N 0 3 283.331 2.518 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000930863297 649338809 /nfs/dbraw/zinc/33/88/09/649338809.db2.gz NXIAGRHRPTVLSW-CYBMUJFWSA-N 0 3 263.291 2.574 20 30 CFEDHN C[C@@H](O)CN(Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC000930891546 649344612 /nfs/dbraw/zinc/34/46/12/649344612.db2.gz JXCXDXDMNCRKSM-SNVBAGLBSA-N 0 3 264.756 2.557 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000931466653 649434748 /nfs/dbraw/zinc/43/47/48/649434748.db2.gz FKDLBJIWICOZQO-QZTJIDSGSA-N 0 3 293.370 2.651 20 30 CFEDHN C[C@@H]1C[C@H](CN(C)[C@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000931476179 649438288 /nfs/dbraw/zinc/43/82/88/649438288.db2.gz NQBYEOKRXDJLEF-QRTUWBSPSA-N 0 3 250.386 2.814 20 30 CFEDHN CC(C)(C#N)CCN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000931491420 649440070 /nfs/dbraw/zinc/44/00/70/649440070.db2.gz OBRTUCWIQAVNKD-IRXDYDNUSA-N 0 3 283.419 2.885 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN[C@H]1CCCn2nccc21 ZINC000931570833 649456712 /nfs/dbraw/zinc/45/67/12/649456712.db2.gz NEWMYAAJMIAENE-INIZCTEOSA-N 0 3 280.375 2.996 20 30 CFEDHN C=CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932069461 649531424 /nfs/dbraw/zinc/53/14/24/649531424.db2.gz SRXZMMHCSHPVNY-ZIAGYGMSSA-N 0 3 284.325 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000932140434 649548613 /nfs/dbraw/zinc/54/86/13/649548613.db2.gz BILGQOOOKHREMT-LBPRGKRZSA-N 0 3 286.366 2.579 20 30 CFEDHN Cn1nccc1[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000932268866 649572370 /nfs/dbraw/zinc/57/23/70/649572370.db2.gz QABGGCLZKZNCLO-AWEZNQCLSA-N 0 3 260.385 2.887 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932619281 649629675 /nfs/dbraw/zinc/62/96/75/649629675.db2.gz KERHNPNQBQJHDZ-AWEZNQCLSA-N 0 3 292.448 2.748 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(CCN(C)C)C1CCCC1 ZINC000932693567 649636337 /nfs/dbraw/zinc/63/63/37/649636337.db2.gz TUZZFLBFUJBZOZ-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCNC(=O)O2)CC1 ZINC000932762022 649641634 /nfs/dbraw/zinc/64/16/34/649641634.db2.gz KGYDCVCLRUACCH-ZDUSSCGKSA-N 0 3 299.374 2.584 20 30 CFEDHN C=C(C)CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933064525 649669230 /nfs/dbraw/zinc/66/92/30/649669230.db2.gz DYUAQZSLJLWFFP-HNNXBMFYSA-N 0 3 273.376 2.913 20 30 CFEDHN C[C@H](NCCOCCC#N)c1cc(Cl)cc2c1OCC2 ZINC000933272364 649684591 /nfs/dbraw/zinc/68/45/91/649684591.db2.gz JIACFQUIWASQQB-NSHDSACASA-N 0 3 294.782 2.856 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccccc2)CCC1 ZINC000933302325 649686033 /nfs/dbraw/zinc/68/60/33/649686033.db2.gz VJRMDFQOZHTMHR-ZDUSSCGKSA-N 0 3 256.349 2.549 20 30 CFEDHN C#CCN(CCO[C@H](C)C#N)[C@@H]1CCCc2ccccc21 ZINC000933417090 649692714 /nfs/dbraw/zinc/69/27/14/649692714.db2.gz FQWDIXMVATYMGC-CRAIPNDOSA-N 0 3 282.387 2.928 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933667742 649712656 /nfs/dbraw/zinc/71/26/56/649712656.db2.gz QHFNWLPTLSNPEI-HZPDHXFCSA-N 0 3 294.439 2.834 20 30 CFEDHN C#CCCCCCCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933689906 649714650 /nfs/dbraw/zinc/71/46/50/649714650.db2.gz RMKDEAXWTIKRHR-IAGOWNOFSA-N 0 3 279.424 2.840 20 30 CFEDHN C[C@]12CN(C[C@@H](C#N)CCC#N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933710108 649716614 /nfs/dbraw/zinc/71/66/14/649716614.db2.gz PTAIYSOHKZFOKD-DGADGQDISA-N 0 3 257.381 2.798 20 30 CFEDHN C=C(C)CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933710012 649716686 /nfs/dbraw/zinc/71/66/86/649716686.db2.gz OFDBGFALJRREQO-JTQLQIEISA-N 0 3 271.286 2.861 20 30 CFEDHN CN1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)C1 ZINC000933841963 649724396 /nfs/dbraw/zinc/72/43/96/649724396.db2.gz WNAWCERWDXGIEX-AWEZNQCLSA-N 0 3 298.390 2.651 20 30 CFEDHN N#Cc1ccccc1CN[C@H](CCO)C1CCCC1 ZINC000934006020 649740970 /nfs/dbraw/zinc/74/09/70/649740970.db2.gz JXFBPUPWKFKMFN-MRXNPFEDSA-N 0 3 258.365 2.589 20 30 CFEDHN CO[C@@H]1CC[C@H]1N(C)Cc1cc(Cl)cc(C#N)c1 ZINC000934106703 649750333 /nfs/dbraw/zinc/75/03/33/649750333.db2.gz VGGZYENOTBUGGG-ZIAGYGMSSA-N 0 3 264.756 2.821 20 30 CFEDHN C=CC[C@H]1CCN1CCOCC(F)(F)C(F)F ZINC000934460886 649788288 /nfs/dbraw/zinc/78/82/88/649788288.db2.gz KSFVZFABOHLGEH-VIFPVBQESA-N 0 3 255.255 2.554 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2Cc3ncccc3N3CCC[C@H]3C2)C1 ZINC000934492972 649794659 /nfs/dbraw/zinc/79/46/59/649794659.db2.gz GGFNAFAFDJHFGD-ZNMIVQPWSA-N 0 3 282.391 2.558 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@H]1CC1CCOCC1 ZINC000934642914 649810929 /nfs/dbraw/zinc/81/09/29/649810929.db2.gz WCNHFTOUJASWTM-MRXNPFEDSA-N 0 3 294.439 2.834 20 30 CFEDHN C=CCCCN(CC)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000934646024 649811679 /nfs/dbraw/zinc/81/16/79/649811679.db2.gz MIVAXMOIMRCPQU-UHFFFAOYSA-N 0 3 290.363 2.642 20 30 CFEDHN C=CCCCN(CC)CC(=O)N1CCCC[C@@H]1C ZINC000934649620 649812578 /nfs/dbraw/zinc/81/25/78/649812578.db2.gz VHGJKAKSIVSTRI-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001006679047 651128328 /nfs/dbraw/zinc/12/83/28/651128328.db2.gz NRIQDNVWZPNOTI-CYBMUJFWSA-N 0 3 264.394 2.518 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2occc2C)C1 ZINC001006759954 651129825 /nfs/dbraw/zinc/12/98/25/651129825.db2.gz MWFHAJLHJORMTK-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2conc2C(C)C)C1 ZINC001007488046 651135969 /nfs/dbraw/zinc/13/59/69/651135969.db2.gz AOWGABRBJYKART-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007623695 651137186 /nfs/dbraw/zinc/13/71/86/651137186.db2.gz YNKVMCKLUOPGQL-DLBZAZTESA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007967158 651140693 /nfs/dbraw/zinc/14/06/93/651140693.db2.gz KJYCPLUFVHZLML-INIZCTEOSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001007967953 651140755 /nfs/dbraw/zinc/14/07/55/651140755.db2.gz KUKLJDNPWNWILJ-ZDUSSCGKSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001008000388 651141290 /nfs/dbraw/zinc/14/12/90/651141290.db2.gz VYXPZVHKLNAZEX-XHSDSOJGSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008203499 651143481 /nfs/dbraw/zinc/14/34/81/651143481.db2.gz RDWHEEKGHWTOQS-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001008688958 651152362 /nfs/dbraw/zinc/15/23/62/651152362.db2.gz POKSNRKMRHIYGT-FUHWJXTLSA-N 0 3 298.430 2.702 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001009119529 651156245 /nfs/dbraw/zinc/15/62/45/651156245.db2.gz AXZGOERKGOLXIQ-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001009436742 651160972 /nfs/dbraw/zinc/16/09/72/651160972.db2.gz PKOQVWWHIXACES-KRWDZBQOSA-N 0 3 298.430 2.829 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001014680089 651190802 /nfs/dbraw/zinc/19/08/02/651190802.db2.gz ADXHBJGPTGYONW-CQSZACIVSA-N 0 3 288.391 2.539 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001014901927 651193618 /nfs/dbraw/zinc/19/36/18/651193618.db2.gz OFEDZPRHCXFWDT-QGZVFWFLSA-N 0 3 286.419 2.558 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015215663 651197196 /nfs/dbraw/zinc/19/71/96/651197196.db2.gz MTLNBVDAFXGYFG-MRXNPFEDSA-N 0 3 276.424 2.561 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001015182755 651197425 /nfs/dbraw/zinc/19/74/25/651197425.db2.gz QCEJDXBJQMVTOJ-AWEZNQCLSA-N 0 3 297.402 2.857 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015391568 651199883 /nfs/dbraw/zinc/19/98/83/651199883.db2.gz JEGPMOPNMXBYQG-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001015461114 651200973 /nfs/dbraw/zinc/20/09/73/651200973.db2.gz ZZZMNMRILOZGCZ-OAHLLOKOSA-N 0 3 298.386 2.742 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015618346 651206034 /nfs/dbraw/zinc/20/60/34/651206034.db2.gz QPUCSBDPRLJPNA-LLVKDONJSA-N 0 3 284.306 2.597 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015672897 651209084 /nfs/dbraw/zinc/20/90/84/651209084.db2.gz ZDTUPPNMEWJWJY-KRWDZBQOSA-N 0 3 298.430 2.776 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015790416 651214260 /nfs/dbraw/zinc/21/42/60/651214260.db2.gz JPZKPGJEGXRZIE-ZDUSSCGKSA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001015859142 651216501 /nfs/dbraw/zinc/21/65/01/651216501.db2.gz AGAOXPZCXXYAQE-AWEZNQCLSA-N 0 3 297.402 2.559 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001015971424 651219117 /nfs/dbraw/zinc/21/91/17/651219117.db2.gz ATPBQYMUYCPSNA-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016142500 651225743 /nfs/dbraw/zinc/22/57/43/651225743.db2.gz VOPYTRFYIMEVEB-OAHLLOKOSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001017591567 651254268 /nfs/dbraw/zinc/25/42/68/651254268.db2.gz VDZTURCKDDZDJM-CALCHBBNSA-N 0 3 284.403 2.536 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001017604158 651255000 /nfs/dbraw/zinc/25/50/00/651255000.db2.gz BUPWAOUMRIYKSV-MELADBBJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001017604157 651255135 /nfs/dbraw/zinc/25/51/35/651255135.db2.gz BUPWAOUMRIYKSV-MCIONIFRSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001017750718 651256642 /nfs/dbraw/zinc/25/66/42/651256642.db2.gz SMTHORCZXUJPIY-XLMAVXFVSA-N 0 3 288.435 2.818 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)cc1 ZINC001017711180 651256807 /nfs/dbraw/zinc/25/68/07/651256807.db2.gz NFZFVXIOODZGBF-HDICACEKSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001018050340 651264651 /nfs/dbraw/zinc/26/46/51/651264651.db2.gz SQHGIRYKSVYRTE-VVLHAWIVSA-N 0 3 288.435 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001018317589 651268764 /nfs/dbraw/zinc/26/87/64/651268764.db2.gz GTEUDGUUIKTBKI-BMFZPTHFSA-N 0 3 276.424 2.674 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC2CC2)c1 ZINC000115903383 651277656 /nfs/dbraw/zinc/27/76/56/651277656.db2.gz LDFLACPAJAIURN-AWEZNQCLSA-N 0 3 286.331 2.533 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)c2ccccc2C(C)(C)CC)C1 ZINC001019013520 651278403 /nfs/dbraw/zinc/27/84/03/651278403.db2.gz DYMQCZPFDXFMOS-HNNXBMFYSA-N 0 3 298.430 2.812 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001020182108 651298468 /nfs/dbraw/zinc/29/84/68/651298468.db2.gz CVWUKKCNPWIVLW-HAQNSBGRSA-N 0 3 296.773 2.737 20 30 CFEDHN CC(C)CN1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000301109148 719337290 /nfs/dbraw/zinc/33/72/90/719337290.db2.gz VQMYLMJZPJEYEV-UHFFFAOYSA-N 0 3 298.434 2.610 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954747 782215670 /nfs/dbraw/zinc/21/56/70/782215670.db2.gz ITEXUWCFYFEWHO-ZDUSSCGKSA-N 0 3 294.345 2.687 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085962213 782221661 /nfs/dbraw/zinc/22/16/61/782221661.db2.gz ZPWIZFQZHRZSSS-OAHLLOKOSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993715 782234659 /nfs/dbraw/zinc/23/46/59/782234659.db2.gz SFZSIENGXLESEC-MRXNPFEDSA-N 0 3 290.382 2.879 20 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CFEDHN C#CCN1CCC2(CCN(C(=O)CC(C)(C)C=C)C2)CC1 ZINC001269709312 777234891 /nfs/dbraw/zinc/23/48/91/777234891.db2.gz VODGDMKOURDFSS-UHFFFAOYSA-N 0 3 288.435 2.536 20 30 CFEDHN C#CCCCC(=O)N1CCC[C@H](CCNCC(=C)Cl)C1 ZINC001269722775 777236713 /nfs/dbraw/zinc/23/67/13/777236713.db2.gz BMXVDTUGSHKVTM-OAHLLOKOSA-N 0 3 296.842 2.761 20 30 CFEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001269741737 777240630 /nfs/dbraw/zinc/24/06/30/777240630.db2.gz OQSDIBMWONAZTR-AEFFLSMTSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231588714 777269020 /nfs/dbraw/zinc/26/90/20/777269020.db2.gz PBYQCCOMZGHVDX-UHFFFAOYSA-N 0 3 282.387 2.849 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@](C)(CO)CC1 ZINC001231616936 777280952 /nfs/dbraw/zinc/28/09/52/777280952.db2.gz NOPSDUHVQLHSJZ-QGZVFWFLSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1ccns1 ZINC001270059008 777298571 /nfs/dbraw/zinc/29/85/71/777298571.db2.gz QJIDAZMFYMHFIX-CYBMUJFWSA-N 0 3 293.436 2.580 20 30 CFEDHN C#Cc1cccc(CN2CC[C@@]3(C2)CC(F)(F)CO3)c1 ZINC001231662015 777299568 /nfs/dbraw/zinc/29/95/68/777299568.db2.gz CKXGKICQOUCGQF-HNNXBMFYSA-N 0 3 277.314 2.668 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)C/C=C(/C)C=C)cc1 ZINC001270071356 777302012 /nfs/dbraw/zinc/30/20/12/777302012.db2.gz UIDYSLNKCVJOPT-UUASQNMZSA-N 0 3 282.387 2.548 20 30 CFEDHN CCN1CCC[C@H](Oc2c(CC#N)cccc2OC)C1 ZINC001225841750 777309130 /nfs/dbraw/zinc/30/91/30/777309130.db2.gz JTEOZEQDIMKMGB-AWEZNQCLSA-N 0 3 274.364 2.624 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)C(CC)CC)CC1 ZINC001270207986 777331336 /nfs/dbraw/zinc/33/13/36/777331336.db2.gz NKIUCXSYNYOMTF-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001270366469 777363839 /nfs/dbraw/zinc/36/38/39/777363839.db2.gz ZIOAKTBDFWMHFT-ZIAGYGMSSA-N 0 3 290.407 2.702 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2sccc2C(C)C)C1 ZINC001029002523 777368577 /nfs/dbraw/zinc/36/85/77/777368577.db2.gz SVWXZUBHBPOFQF-CYBMUJFWSA-N 0 3 290.432 2.556 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009949 777377088 /nfs/dbraw/zinc/37/70/88/777377088.db2.gz WSKSEQTWOZCZEN-CVEARBPZSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001075760045 777425006 /nfs/dbraw/zinc/42/50/06/777425006.db2.gz VZZUNBIPFJSERS-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001270633096 777436189 /nfs/dbraw/zinc/43/61/89/777436189.db2.gz PQQFBRWSDCZSGA-DOTOQJQBSA-N 0 3 278.440 2.663 20 30 CFEDHN COC[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112365 777444456 /nfs/dbraw/zinc/44/44/56/777444456.db2.gz UJBFYIYZFWVTCF-GFCCVEGCSA-N 0 3 264.756 2.680 20 30 CFEDHN C=CCN(C)Cc1ccccc1CNC(=O)c1ccncc1 ZINC001280314984 777562154 /nfs/dbraw/zinc/56/21/54/777562154.db2.gz GONIKMAKPIMJOQ-UHFFFAOYSA-N 0 3 295.386 2.629 20 30 CFEDHN Cc1ncc(CN2CCC[C@@H](Oc3ccccc3C#N)C2)[nH]1 ZINC001232464392 777569536 /nfs/dbraw/zinc/56/95/36/777569536.db2.gz BXFYOKAPKJBYAL-MRXNPFEDSA-N 0 3 296.374 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/nfs/dbraw/zinc/70/17/77/777701777.db2.gz BXPKNGHGNGFKIG-XWTMOSNGSA-N 0 3 298.430 2.945 20 30 CFEDHN Cc1ccc(CN2CC(C)(C)C[C@]2(C)CO)c(C#N)c1 ZINC001232964503 777741562 /nfs/dbraw/zinc/74/15/62/777741562.db2.gz YUPZQAALJUMYFJ-QGZVFWFLSA-N 0 3 272.392 2.850 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H]2C(C)(C)O)c(C#N)c1 ZINC001232967484 777742663 /nfs/dbraw/zinc/74/26/63/777742663.db2.gz NPRXBMCYDSPPOM-OAHLLOKOSA-N 0 3 258.365 2.602 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC)C1 ZINC001029466353 777763570 /nfs/dbraw/zinc/76/35/70/777763570.db2.gz NEYYPWQACJRYNM-GASCZTMLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001075828576 777771424 /nfs/dbraw/zinc/77/14/24/777771424.db2.gz WBWOXOVUJKWEON-YESZJQIVSA-N 0 3 288.435 2.842 20 30 CFEDHN CCCCCCN1CCN(Cc2[nH]ccc2C#N)CC1 ZINC001233045252 777774737 /nfs/dbraw/zinc/77/47/37/777774737.db2.gz RJOFGOFQJOMDJL-UHFFFAOYSA-N 0 3 274.412 2.584 20 30 CFEDHN CCN1CC[C@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205994 777790339 /nfs/dbraw/zinc/79/03/39/777790339.db2.gz VKLLNUQXHXTIRA-LBPRGKRZSA-N 0 3 250.729 2.685 20 30 CFEDHN CCC(=O)N(C)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083244 777793718 /nfs/dbraw/zinc/79/37/18/777793718.db2.gz BFZHTALPJZIEMH-UHFFFAOYSA-N 0 3 299.418 2.700 20 30 CFEDHN CN(C)c1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)c(F)c1C#N ZINC001233102351 777794796 /nfs/dbraw/zinc/79/47/96/777794796.db2.gz XGQWLLOCLBZKAZ-OKILXGFUSA-N 0 3 287.382 2.851 20 30 CFEDHN C=CCN[C@@H](CNC(=O)[C@H]1CC12CC2)c1ccccc1CC ZINC001271446374 777858293 /nfs/dbraw/zinc/85/82/93/777858293.db2.gz LCOJGALFFOSCFB-SJORKVTESA-N 0 3 298.430 2.982 20 30 CFEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@H](CC)CCC)C[C@]2(C)C1 ZINC001101405775 777866374 /nfs/dbraw/zinc/86/63/74/777866374.db2.gz OEJIWHPDFMDQQG-NUJGCVRESA-N 0 3 290.451 2.616 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC001271475571 777874989 /nfs/dbraw/zinc/87/49/89/777874989.db2.gz HRWHQLGDYBVLIB-ZDUSSCGKSA-N 0 3 295.814 2.742 20 30 CFEDHN CN1CCC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227788814 777902802 /nfs/dbraw/zinc/90/28/02/777902802.db2.gz HERWMZDOTSEUPN-SNVBAGLBSA-N 0 3 250.729 2.685 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2CC2)C1 ZINC001088246238 777915492 /nfs/dbraw/zinc/91/54/92/777915492.db2.gz ODPLJTPPLUVKMN-ZDUSSCGKSA-N 0 3 270.804 2.510 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C(C)(C)F)C1 ZINC001088247443 777918462 /nfs/dbraw/zinc/91/84/62/777918462.db2.gz SELGAUYROODUTN-GFCCVEGCSA-N 0 3 290.810 2.848 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233529492 777979446 /nfs/dbraw/zinc/97/94/46/777979446.db2.gz MOUAXIQBHDJWNE-HIFRSBDPSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075864102 777981418 /nfs/dbraw/zinc/98/14/18/777981418.db2.gz XEDQMQJTMUBKBI-MELADBBJSA-N 0 3 298.377 2.531 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=N)c2ccc3ccccc3n2)CCO1 ZINC001168087796 777997130 /nfs/dbraw/zinc/99/71/30/777997130.db2.gz NNVVXJAJICVSMD-YPMHNXCESA-N 0 3 269.348 2.508 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233578978 777997602 /nfs/dbraw/zinc/99/76/02/777997602.db2.gz DGPFANADYMNYRO-NRXISQOPSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233691509 778042878 /nfs/dbraw/zinc/04/28/78/778042878.db2.gz BHXONYWVJSZXQK-HZPDHXFCSA-N 0 3 289.423 2.548 20 30 CFEDHN N#Cc1nc2cc(O[C@@H]3CN4CCC3CC4)ccc2s1 ZINC001233698123 778044562 /nfs/dbraw/zinc/04/45/62/778044562.db2.gz MNLGQTAGUOGJMI-CYBMUJFWSA-N 0 3 285.372 2.641 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233920148 778113073 /nfs/dbraw/zinc/11/30/73/778113073.db2.gz BVNUQNLIUMSXDO-GFCCVEGCSA-N 0 3 250.729 2.685 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CCC[C@H]1C ZINC001272019868 778155242 /nfs/dbraw/zinc/15/52/42/778155242.db2.gz CRJJCFJHTUASST-HUUCEWRRSA-N 0 3 266.429 2.779 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234246434 778193087 /nfs/dbraw/zinc/19/30/87/778193087.db2.gz NSMIQGJDDHFUJU-HOTGVXAUSA-N 0 3 296.455 2.546 20 30 CFEDHN C[C@@H](Oc1cccc2c1CCN(C)C2)[C@H](C)S ZINC001234422006 778221712 /nfs/dbraw/zinc/22/17/12/778221712.db2.gz GPRIHZMHNDDZHR-MNOVXSKESA-N 0 3 251.395 2.760 20 30 CFEDHN CN1CCc2c(cccc2O[C@@H]2CC[C@H](C#N)C2)C1 ZINC001234420773 778221762 /nfs/dbraw/zinc/22/17/62/778221762.db2.gz XAUXXDVFWYTLLA-GXTWGEPZSA-N 0 3 256.349 2.746 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001272060707 778241909 /nfs/dbraw/zinc/24/19/09/778241909.db2.gz KOEKVIVKMMEDAY-JKSUJKDBSA-N 0 3 290.451 2.638 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CC[C@H](C)F ZINC001234537121 778247539 /nfs/dbraw/zinc/24/75/39/778247539.db2.gz KXIROVDVZYVYIF-KBPBESRZSA-N 0 3 284.419 2.870 20 30 CFEDHN C#CC[N@@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234553127 778250521 /nfs/dbraw/zinc/25/05/21/778250521.db2.gz VSNCUHNDTKEDAS-UHFFFAOYSA-N 0 3 255.317 2.619 20 30 CFEDHN C#CC[N@H+](C)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234553127 778250528 /nfs/dbraw/zinc/25/05/28/778250528.db2.gz VSNCUHNDTKEDAS-UHFFFAOYSA-N 0 3 255.317 2.619 20 30 CFEDHN CCN1CCN(c2ccc(O[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001234658244 778279605 /nfs/dbraw/zinc/27/96/05/778279605.db2.gz YLWUCKTWVQNPGQ-CRAIPNDOSA-N 0 3 299.418 2.900 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088589016 778307789 /nfs/dbraw/zinc/30/77/89/778307789.db2.gz KCFIFPBXIRAVCR-VYDXJSESSA-N 0 3 276.424 2.888 20 30 CFEDHN C/C=C(/C)C(=O)N[C@@H]1CN(CCCCCCC)C[C@H]1OC ZINC001212103937 778363679 /nfs/dbraw/zinc/36/36/79/778363679.db2.gz BCESPHHRMZQWGE-UPYRFZFASA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)CCC1CCCCC1 ZINC001272165260 778364889 /nfs/dbraw/zinc/36/48/89/778364889.db2.gz RYRZCZKDEALMKI-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C1(C)CCC(C)CC1 ZINC001272185854 778369735 /nfs/dbraw/zinc/36/97/35/778369735.db2.gz UKJIIOHPCYTVAT-UHFFFAOYSA-N 0 3 266.429 2.779 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H]1C ZINC001088777829 778488240 /nfs/dbraw/zinc/48/82/40/778488240.db2.gz UWNUUOFPNVJTCF-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN O=C1C=C2CN(Cc3cncc(F)c3Cl)CCC2S1 ZINC001235497390 778505315 /nfs/dbraw/zinc/50/53/15/778505315.db2.gz HYNXFQBKHBWDBL-LLVKDONJSA-N 0 3 298.770 2.648 20 30 CFEDHN CCCCN1CCN(Cc2ccccc2CC#N)CC1 ZINC001235522293 778509993 /nfs/dbraw/zinc/50/99/93/778509993.db2.gz BZRBVVOOLNYNGR-UHFFFAOYSA-N 0 3 271.408 2.670 20 30 CFEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001040342812 778555340 /nfs/dbraw/zinc/55/53/40/778555340.db2.gz CNPZEXNZISWRIQ-QGZVFWFLSA-N 0 3 288.435 2.514 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001076153698 778572861 /nfs/dbraw/zinc/57/28/61/778572861.db2.gz JNFVUDRYJCWORG-RRFJBIMHSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001076231731 778577404 /nfs/dbraw/zinc/57/74/04/778577404.db2.gz PUDFSSUGOMDZNB-MELADBBJSA-N 0 3 298.377 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001076285692 778579547 /nfs/dbraw/zinc/57/95/47/778579547.db2.gz ZCXMOVSGHGWJJN-ZWKOTPCHSA-N 0 3 298.430 2.646 20 30 CFEDHN N#Cc1cc(F)ccc1CN1CCN[C@@H](c2ccccc2)C1 ZINC001235856226 778581529 /nfs/dbraw/zinc/58/15/29/778581529.db2.gz WKAPQJJPWMMKMV-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCN[C@@H](c3ccccc3)C2)c1 ZINC001235854535 778582114 /nfs/dbraw/zinc/58/21/14/778582114.db2.gz QKHKOWFVPXNMPQ-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN C#CCOc1ccc(CN2CCc3ccc(N)cc3C2)cc1 ZINC001236233390 778746917 /nfs/dbraw/zinc/74/69/17/778746917.db2.gz RXBKZTUTZYYDLE-UHFFFAOYSA-N 0 3 292.382 2.839 20 30 CFEDHN C#Cc1cccc(CN2CCc3c(N)cccc3C2)c1 ZINC001236365087 778792390 /nfs/dbraw/zinc/79/23/90/778792390.db2.gz CAMXNHQAEBHGKN-UHFFFAOYSA-N 0 3 262.356 2.808 20 30 CFEDHN C#Cc1ccc(CN2CCc3c(N)cccc3C2)cc1 ZINC001236365116 778792473 /nfs/dbraw/zinc/79/24/73/778792473.db2.gz DFKFUYWLTOPLAB-UHFFFAOYSA-N 0 3 262.356 2.808 20 30 CFEDHN N=C(N[C@@H]1CCc2cc(F)ccc2C1)c1ccc(F)cn1 ZINC001168406405 778857065 /nfs/dbraw/zinc/85/70/65/778857065.db2.gz ZGZVWZPEMGKWED-CQSZACIVSA-N 0 3 287.313 2.623 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001088844997 778883108 /nfs/dbraw/zinc/88/31/08/778883108.db2.gz JFTHRTUMYNJBPF-AESZEHBQSA-N 0 3 276.424 2.722 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)CCC1CCCCC1 ZINC001278004044 778926198 /nfs/dbraw/zinc/92/61/98/778926198.db2.gz XPMKPQRZVNZMKJ-OAHLLOKOSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC001089028201 778977937 /nfs/dbraw/zinc/97/79/37/778977937.db2.gz IQLZPBMYESRLLP-WBVHZDCISA-N 0 3 298.430 2.567 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@H]1C ZINC001089051102 778984206 /nfs/dbraw/zinc/98/42/06/778984206.db2.gz AUOVWYNPCGNQRR-IOASZLSFSA-N 0 3 290.382 2.694 20 30 CFEDHN COCCN1CCC(Oc2c(Cl)cccc2C#N)CC1 ZINC001233547457 779052279 /nfs/dbraw/zinc/05/22/79/779052279.db2.gz LCUIOJSNRGDORR-UHFFFAOYSA-N 0 3 294.782 2.701 20 30 CFEDHN CCc1cc(C)c(C#N)c(O[C@H]2CCN(C(C)C)C2)n1 ZINC001233557383 779052679 /nfs/dbraw/zinc/05/26/79/779052679.db2.gz YEKJOMYNWZFUNR-AWEZNQCLSA-N 0 3 273.380 2.686 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)CC[C@@H](C)CC)CC1 ZINC001278080008 779070647 /nfs/dbraw/zinc/07/06/47/779070647.db2.gz ODROVRJVDGDMRJ-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C[C@@H]1CN(Cc2cn(C)c3ccc(C#N)cc23)CCCO1 ZINC001237464078 779113910 /nfs/dbraw/zinc/11/39/10/779113910.db2.gz CCHWUDHPJOPYFB-CYBMUJFWSA-N 0 3 283.375 2.661 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)N[C@@H](C)c1nc(C)no1 ZINC001121942343 779138624 /nfs/dbraw/zinc/13/86/24/779138624.db2.gz WKDMOVHWZDRJFM-WCQYABFASA-N 0 3 296.415 2.633 20 30 CFEDHN C=CCN1CC[C@]2(CCCN2CCCC(F)(F)F)C1=O ZINC001272505357 779151588 /nfs/dbraw/zinc/15/15/88/779151588.db2.gz CTESHFGOZJWIBH-CYBMUJFWSA-N 0 3 290.329 2.582 20 30 CFEDHN COc1cc(CN2CCC[C@@H](CC#N)C2)c(O)c(OC)c1 ZINC001237676906 779160044 /nfs/dbraw/zinc/16/00/44/779160044.db2.gz SLTBDVWJVSJJEC-LBPRGKRZSA-N 0 3 290.363 2.535 20 30 CFEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc2c1OCC2 ZINC001237748503 779174028 /nfs/dbraw/zinc/17/40/28/779174028.db2.gz IXKJRALWQDIXDD-DVSIDAKKSA-N 0 3 268.360 2.888 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046415071 779174222 /nfs/dbraw/zinc/17/42/22/779174222.db2.gz MBZUSRUWZDCGEK-NVXWUHKLSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2nc(C)sc2C)C1 ZINC001046416364 779174593 /nfs/dbraw/zinc/17/45/93/779174593.db2.gz UUGYEZRWUFBJNY-HNNXBMFYSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCC2)CC(C)(C)C1 ZINC001089305672 779184901 /nfs/dbraw/zinc/18/49/01/779184901.db2.gz GVCMQNLNLVZYHV-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)o1 ZINC001272588361 779250902 /nfs/dbraw/zinc/25/09/02/779250902.db2.gz VAHLDONNEYTPEH-HZPDHXFCSA-N 0 3 288.391 2.729 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001099244832 779341435 /nfs/dbraw/zinc/34/14/35/779341435.db2.gz DVAANLRSVWDTTH-CQSZACIVSA-N 0 3 296.430 2.919 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001272624389 779350345 /nfs/dbraw/zinc/35/03/45/779350345.db2.gz KNUHGWZJGIIDAK-GFCCVEGCSA-N 0 3 272.820 2.613 20 30 CFEDHN CCOC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238777701 779390067 /nfs/dbraw/zinc/39/00/67/779390067.db2.gz GVDPPXJCLWLWQU-MRXNPFEDSA-N 0 3 286.375 2.506 20 30 CFEDHN COc1ccc(-c2cnc(C#N)c(F)c2)cc1CN(C)C ZINC001238991763 779435332 /nfs/dbraw/zinc/43/53/32/779435332.db2.gz CXZFIUUCIPEXMV-UHFFFAOYSA-N 0 3 285.322 2.830 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@H]1CCNC[C@@H]1F ZINC001239227885 779479701 /nfs/dbraw/zinc/47/97/01/779479701.db2.gz UROVKYOWXZKSNC-KGLIPLIRSA-N 0 3 287.423 2.594 20 30 CFEDHN N#CCCNC1CCC(C#N)(c2ccccc2)CC1 ZINC000352590702 779493211 /nfs/dbraw/zinc/49/32/11/779493211.db2.gz PKFKYSVGIMTNAB-UHFFFAOYSA-N 0 3 253.349 2.894 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001089610753 779544516 /nfs/dbraw/zinc/54/45/16/779544516.db2.gz VEWPEVQKYSWGCM-AWEZNQCLSA-N 0 3 289.423 2.811 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630852 779549746 /nfs/dbraw/zinc/54/97/46/779549746.db2.gz ZROBJHVHDLOIAR-KGLIPLIRSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001089705521 779572982 /nfs/dbraw/zinc/57/29/82/779572982.db2.gz GJBACPUIHSFSSX-LSDHHAIUSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC ZINC001089755951 779585619 /nfs/dbraw/zinc/58/56/19/779585619.db2.gz FFONQZRUIYOSCS-YJNKXOJESA-N 0 3 296.842 2.708 20 30 CFEDHN CN(Cc1ccc(C#N)c(Br)c1)[C@H]1CCOC1 ZINC001236861380 779652370 /nfs/dbraw/zinc/65/23/70/779652370.db2.gz RYODSIQQVDKWAU-LBPRGKRZSA-N 0 3 295.180 2.541 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2cccc3ccsc32)C1 ZINC001032102342 779737277 /nfs/dbraw/zinc/73/72/77/779737277.db2.gz YRFZCYUDZCURIG-UHFFFAOYSA-N 0 3 298.411 2.586 20 30 CFEDHN C=C(Cl)CNC1(CNC(=O)CCCF)CCCCC1 ZINC001115671288 779820622 /nfs/dbraw/zinc/82/06/22/779820622.db2.gz VJVHTHCCZHOAMB-UHFFFAOYSA-N 0 3 290.810 2.897 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107499443 779851323 /nfs/dbraw/zinc/85/13/23/779851323.db2.gz IRSVDEXNCDXREJ-RHSMWYFYSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCC[C@@H](C)N1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107744389 779892324 /nfs/dbraw/zinc/89/23/24/779892324.db2.gz AZIKTOBEJLVXSM-NVXWUHKLSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCCC(=O)NC[C@]1(C)CN(CCC(C)(C)C)CCO1 ZINC001107802819 779901373 /nfs/dbraw/zinc/90/13/73/779901373.db2.gz ZVSMNDGFMVSHJB-QGZVFWFLSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038607947 779907373 /nfs/dbraw/zinc/90/73/73/779907373.db2.gz VDZGHGOGKAHMMR-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001032397806 779927606 /nfs/dbraw/zinc/92/76/06/779927606.db2.gz OKBNMXNDZYUELX-HOTGVXAUSA-N 0 3 274.408 2.738 20 30 CFEDHN C[C@@H]1CCC[C@@H]1CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001127929559 779944335 /nfs/dbraw/zinc/94/43/35/779944335.db2.gz UFCXFLNXTMDIPC-RHSMWYFYSA-N 0 3 299.418 2.590 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(C)C ZINC001032476655 779970321 /nfs/dbraw/zinc/97/03/21/779970321.db2.gz RLZHZJKEENZDDC-IHRRRGAJSA-N 0 3 264.413 2.530 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC001272800008 780008203 /nfs/dbraw/zinc/00/82/03/780008203.db2.gz CXHYQTIUOHQUJS-DZGCQCFKSA-N 0 3 284.831 2.970 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)C ZINC001032557367 780030093 /nfs/dbraw/zinc/03/00/93/780030093.db2.gz HTOGNOFORZCJFM-GJZGRUSLSA-N 0 3 276.424 2.840 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC ZINC001032560340 780035692 /nfs/dbraw/zinc/03/56/92/780035692.db2.gz VJGNVNPLABXLHI-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CC1 ZINC001032577742 780048277 /nfs/dbraw/zinc/04/82/77/780048277.db2.gz VDNPEXMULSEYAP-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(C)C ZINC001032578583 780049138 /nfs/dbraw/zinc/04/91/38/780049138.db2.gz OJKQIIBOEFNJAS-SOUVJXGZSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(C)c1 ZINC001032600078 780062456 /nfs/dbraw/zinc/06/24/56/780062456.db2.gz YPVFFSNWHOVVRB-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccco1 ZINC001032736976 780160091 /nfs/dbraw/zinc/16/00/91/780160091.db2.gz OWVYJWQVLNOEMR-ILXRZTDVSA-N 0 3 288.391 2.634 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038542131 780204673 /nfs/dbraw/zinc/20/46/73/780204673.db2.gz YINJBJYCBRDKPV-YYIAUSFCSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038542125 780205322 /nfs/dbraw/zinc/20/53/22/780205322.db2.gz YINJBJYCBRDKPV-NXOAAHMSSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)F)C12CCC2 ZINC001078536398 780270189 /nfs/dbraw/zinc/27/01/89/780270189.db2.gz LSMUKXZIIABYBD-QWRGUYRKSA-N 0 3 288.794 2.504 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccoc2)C12CCC2 ZINC001078556996 780272237 /nfs/dbraw/zinc/27/22/37/780272237.db2.gz YVFJAFNWINSDIV-OLZOCXBDSA-N 0 3 294.782 2.663 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2ccco2)C12CCC2 ZINC001078538206 780273143 /nfs/dbraw/zinc/27/31/43/780273143.db2.gz BYGNARPNGMGBBV-STQMWFEESA-N 0 3 294.782 2.663 20 30 CFEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccs1 ZINC001272932419 780301877 /nfs/dbraw/zinc/30/18/77/780301877.db2.gz LWBJDVADLPSOSH-MRXNPFEDSA-N 0 3 290.432 2.891 20 30 CFEDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCOCCC#N ZINC000451402602 780366553 /nfs/dbraw/zinc/36/65/53/780366553.db2.gz BSMDTXPWPLUCKS-QWRGUYRKSA-N 0 3 264.291 2.579 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2sccc2C)C1 ZINC001032883098 780501628 /nfs/dbraw/zinc/50/16/28/780501628.db2.gz GWIKYDAKFDEDQO-ZDUSSCGKSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001033061415 780548208 /nfs/dbraw/zinc/54/82/08/780548208.db2.gz LXJGAOZGFSHSLD-LLVKDONJSA-N 0 3 282.384 2.610 20 30 CFEDHN C=CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(F)F ZINC001098850589 780562254 /nfs/dbraw/zinc/56/22/54/780562254.db2.gz XOZPOADKROYGTP-GFCCVEGCSA-N 0 3 288.382 2.825 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ncoc1C(C)C ZINC001273105654 780596786 /nfs/dbraw/zinc/59/67/86/780596786.db2.gz WUNIYBJLYGNDPK-NSHDSACASA-N 0 3 299.802 2.649 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033275459 780637687 /nfs/dbraw/zinc/63/76/87/780637687.db2.gz NNSXDRPFKGVYOH-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033301426 780644580 /nfs/dbraw/zinc/64/45/80/780644580.db2.gz RWWTWDCXRSEYQJ-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033301427 780644809 /nfs/dbraw/zinc/64/48/09/780644809.db2.gz RWWTWDCXRSEYQJ-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(CC)cc2)C1 ZINC001033468948 780690328 /nfs/dbraw/zinc/69/03/28/780690328.db2.gz AXGYSCVJEODWCF-QGZVFWFLSA-N 0 3 286.419 2.510 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033487291 780691814 /nfs/dbraw/zinc/69/18/14/780691814.db2.gz FFYZRTKUKVSVJB-CABCVRRESA-N 0 3 290.407 2.800 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033487293 780692947 /nfs/dbraw/zinc/69/29/47/780692947.db2.gz FFYZRTKUKVSVJB-HUUCEWRRSA-N 0 3 290.407 2.800 20 30 CFEDHN CN(C)/C=C/c1ccncc1-c1ccnc(C#N)c1 ZINC001241200016 780701223 /nfs/dbraw/zinc/70/12/23/780701223.db2.gz LXWBMYGUWXGFFV-VMPITWQZSA-N 0 3 250.305 2.548 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033602042 780724472 /nfs/dbraw/zinc/72/44/72/780724472.db2.gz UIEYJCXERHOAJR-JYJNAYRXSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033631082 780735632 /nfs/dbraw/zinc/73/56/32/780735632.db2.gz JYKZSHWFDXTKFP-OAHLLOKOSA-N 0 3 292.810 2.601 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001033640879 780740251 /nfs/dbraw/zinc/74/02/51/780740251.db2.gz UQTUFSAQPHKHGY-OAHLLOKOSA-N 0 3 294.345 2.687 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2scnc2Cl)C1 ZINC001033667557 780744434 /nfs/dbraw/zinc/74/44/34/780744434.db2.gz NPVFLRFUOUKHBR-JTQLQIEISA-N 0 3 299.827 2.519 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(CC)C(=O)c2cncs2)C1 ZINC001033764100 780776677 /nfs/dbraw/zinc/77/66/77/780776677.db2.gz XJBBHAUMYHSPHU-ZDUSSCGKSA-N 0 3 293.436 2.646 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033790430 780789928 /nfs/dbraw/zinc/78/99/28/780789928.db2.gz VZFDTLOKSICWGF-AWEZNQCLSA-N 0 3 290.432 2.616 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001005383023 780798325 /nfs/dbraw/zinc/79/83/25/780798325.db2.gz SZDMAWOKGVQUHU-KGLIPLIRSA-N 0 3 282.403 2.624 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033872628 780813408 /nfs/dbraw/zinc/81/34/08/780813408.db2.gz NGZODCFWTOAJGA-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034034734 780863760 /nfs/dbraw/zinc/86/37/60/780863760.db2.gz NEWJYYFXJMLEOU-KRWDZBQOSA-N 0 3 298.430 2.863 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034157199 780904558 /nfs/dbraw/zinc/90/45/58/780904558.db2.gz CJFSDUNURKVSNS-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C#C[C@@H](NCc1ccc(C(=O)OC)c(F)c1)C(C)(C)C ZINC000702277400 780906303 /nfs/dbraw/zinc/90/63/03/780906303.db2.gz IPVYSQOVQZLZGO-CQSZACIVSA-N 0 3 277.339 2.750 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034184791 780916473 /nfs/dbraw/zinc/91/64/73/780916473.db2.gz QRUAOGANFCDPCF-LBPRGKRZSA-N 0 3 294.782 2.541 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034195593 780921874 /nfs/dbraw/zinc/92/18/74/780921874.db2.gz VWKKUTHFEFAXNV-OAHLLOKOSA-N 0 3 288.391 2.504 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034217223 780924435 /nfs/dbraw/zinc/92/44/35/780924435.db2.gz PNLPRIMZNGRSCS-YYIAUSFCSA-N 0 3 288.435 2.745 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001034261063 780932197 /nfs/dbraw/zinc/93/21/97/780932197.db2.gz QYUGGKRCDBGRFU-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034296867 780941033 /nfs/dbraw/zinc/94/10/33/780941033.db2.gz OMOXIYRUNDDXFB-INIZCTEOSA-N 0 3 299.418 2.729 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC001034305388 780943568 /nfs/dbraw/zinc/94/35/68/780943568.db2.gz GSWNSWWVALMUER-OAHLLOKOSA-N 0 3 297.402 2.710 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034323328 780947861 /nfs/dbraw/zinc/94/78/61/780947861.db2.gz NHRWXXCQCLLNDJ-DFGXFYAUSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001034431242 780974777 /nfs/dbraw/zinc/97/47/77/780974777.db2.gz IBPBDFUPVRJFCB-HUUCEWRRSA-N 0 3 290.407 2.848 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034480202 780980673 /nfs/dbraw/zinc/98/06/73/780980673.db2.gz GYIGKSDTRFFGRT-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001034516046 780990000 /nfs/dbraw/zinc/99/00/00/780990000.db2.gz VYCGCKDPCAPINY-MRXNPFEDSA-N 0 3 290.382 2.525 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001045600899 781069773 /nfs/dbraw/zinc/06/97/73/781069773.db2.gz IQLHTXKMXAQFMY-MAUKXSAKSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000704717146 781109117 /nfs/dbraw/zinc/10/91/17/781109117.db2.gz GCMVNVCCTZHKGM-AWEZNQCLSA-N 0 3 254.418 2.803 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](CCC)OCC ZINC000705328886 781139040 /nfs/dbraw/zinc/13/90/40/781139040.db2.gz BAIQXYWBMIIESN-INIZCTEOSA-N 0 3 275.392 2.993 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)CCC1CCC1)CC2 ZINC001035680917 781156947 /nfs/dbraw/zinc/15/69/47/781156947.db2.gz GNDQFEOJFHIDDP-UHFFFAOYSA-N 0 3 288.435 2.514 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)CC2 ZINC001035682739 781157125 /nfs/dbraw/zinc/15/71/25/781157125.db2.gz YRBNGACXHMRLCC-ZSHCYNCHSA-N 0 3 288.435 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC1(C)C)CC2 ZINC001035688856 781158863 /nfs/dbraw/zinc/15/88/63/781158863.db2.gz PSSAHSTXOOIXCL-AWEZNQCLSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)Cc1ccccc1)CC2 ZINC001035736153 781163049 /nfs/dbraw/zinc/16/30/49/781163049.db2.gz XAUXBPLNQRIVPM-UHFFFAOYSA-N 0 3 298.430 2.730 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1C[C@@H]1C)CC2 ZINC001035786547 781168916 /nfs/dbraw/zinc/16/89/16/781168916.db2.gz GIBSZVYANGBZSZ-LSDHHAIUSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CCC)CC2 ZINC001035791856 781169850 /nfs/dbraw/zinc/16/98/50/781169850.db2.gz NRUNVEFZGFCBNU-HZPDHXFCSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](C)C1)CC2 ZINC001035811970 781174506 /nfs/dbraw/zinc/17/45/06/781174506.db2.gz LGDFWWBBWMFQOF-HOTGVXAUSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H](C)C1CC1)CC2 ZINC001035857482 781179063 /nfs/dbraw/zinc/17/90/63/781179063.db2.gz NFJSZOGLEWOKSW-OAHLLOKOSA-N 0 3 290.451 2.923 20 30 CFEDHN CCC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001036335373 781238618 /nfs/dbraw/zinc/23/86/18/781238618.db2.gz VFLRWIBZIWTXBS-RHSMWYFYSA-N 0 3 299.418 2.685 20 30 CFEDHN CCC(=O)N1CCC[C@H]([C@@H](C)NCc2ccccc2C#N)C1 ZINC001036335372 781238784 /nfs/dbraw/zinc/23/87/84/781238784.db2.gz VFLRWIBZIWTXBS-PBHICJAKSA-N 0 3 299.418 2.685 20 30 CFEDHN CN(Cc1ccc(-c2cccnc2C#N)nc1)C1CC1 ZINC001242311792 781389217 /nfs/dbraw/zinc/38/92/17/781389217.db2.gz UISROSYVRYYHEH-UHFFFAOYSA-N 0 3 264.332 2.609 20 30 CFEDHN Cc1cc(C#N)cc(-c2cnccc2N2CCOCC2)c1 ZINC001242478931 781532230 /nfs/dbraw/zinc/53/22/30/781532230.db2.gz PQSGHEVCLKTMLR-UHFFFAOYSA-N 0 3 279.343 2.765 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC001079670244 781612288 /nfs/dbraw/zinc/61/22/88/781612288.db2.gz VNDHVQFQLYMTGQ-BXUZGUMPSA-N 0 3 278.421 2.683 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001079866738 781624285 /nfs/dbraw/zinc/62/42/85/781624285.db2.gz WCYHYMSERNUZKV-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080109529 781635970 /nfs/dbraw/zinc/63/59/70/781635970.db2.gz VLRYXEUEEZPRTI-KBUPBQIOSA-N 0 3 278.440 2.681 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC001080350749 781653571 /nfs/dbraw/zinc/65/35/71/781653571.db2.gz YSBMROQCIBIFHA-RHSMWYFYSA-N 0 3 286.419 2.875 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001080502025 781666728 /nfs/dbraw/zinc/66/67/28/781666728.db2.gz KBIGCMYKOPJYMS-CZUORRHYSA-N 0 3 290.382 2.760 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001080870756 781683379 /nfs/dbraw/zinc/68/33/79/781683379.db2.gz SXPFDUCMERATJM-LHUBUQBQSA-N 0 3 290.451 2.825 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@@H]2CCCC[C@@H]2C)CCC1 ZINC001273208120 781750144 /nfs/dbraw/zinc/75/01/44/781750144.db2.gz JMHPIGRBCCMZDB-HOTGVXAUSA-N 0 3 290.451 2.855 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001084190588 781780192 /nfs/dbraw/zinc/78/01/92/781780192.db2.gz JFNXLGOAKZPSBT-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001084271254 781786234 /nfs/dbraw/zinc/78/62/34/781786234.db2.gz NHYWWDXJUGLPSS-IAGOWNOFSA-N 0 3 288.435 2.986 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001084458830 781794199 /nfs/dbraw/zinc/79/41/99/781794199.db2.gz NBXVAFRNFZMBTF-UKRRQHHQSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001084511196 781798386 /nfs/dbraw/zinc/79/83/86/781798386.db2.gz LRWRETUDKRNSLR-KLHDSHLOSA-N 0 3 290.451 2.777 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CC[C@@H](C)F)C[C@H]32)C1 ZINC001084645779 781816194 /nfs/dbraw/zinc/81/61/94/781816194.db2.gz DQVKOCPGCLFLRZ-RBSFLKMASA-N 0 3 294.414 2.624 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c[nH]cc3C3CC3)[C@@H]2C1 ZINC001084748346 781828689 /nfs/dbraw/zinc/82/86/89/781828689.db2.gz JWPGYYNMLXCBCH-RHSMWYFYSA-N 0 3 299.418 2.615 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC ZINC001098927616 781858866 /nfs/dbraw/zinc/85/88/66/781858866.db2.gz NOJHVVWYJNSPDV-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231095108 781907678 /nfs/dbraw/zinc/90/76/78/781907678.db2.gz NIQGFLMLIFPFKE-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OC ZINC001098952940 781913671 /nfs/dbraw/zinc/91/36/71/781913671.db2.gz NQQJVJOLCMZMJY-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231147228 781915367 /nfs/dbraw/zinc/91/53/67/781915367.db2.gz ABNATYQQYCLTND-CVEARBPZSA-N 0 3 296.455 2.691 20 30 CFEDHN N#Cc1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)o1 ZINC000594508128 349434580 /nfs/dbraw/zinc/43/45/80/349434580.db2.gz AYSWSPYUTMMTAM-LSDHHAIUSA-N 0 3 260.337 2.589 20 30 CFEDHN Cc1cc(CNC[C@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000594512987 349436278 /nfs/dbraw/zinc/43/62/78/349436278.db2.gz ADBNRJPGRPELKV-ZDUSSCGKSA-N 0 3 288.391 2.934 20 30 CFEDHN C[C@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CO1 ZINC000594513892 349437179 /nfs/dbraw/zinc/43/71/79/349437179.db2.gz ULNKHCRHRGHUNY-SWLSCSKDSA-N 0 3 258.365 2.755 20 30 CFEDHN CC[C@H](COC)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594514587 349437581 /nfs/dbraw/zinc/43/75/81/349437581.db2.gz IWLZQOGQWKOEQO-OAHLLOKOSA-N 0 3 258.365 2.952 20 30 CFEDHN Cc1cc(C#N)cc(NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000594607063 349460721 /nfs/dbraw/zinc/46/07/21/349460721.db2.gz REQZZAIBTBOKAI-SFHVURJKSA-N 0 3 299.418 2.922 20 30 CFEDHN CC[C@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594655727 349469423 /nfs/dbraw/zinc/46/94/23/349469423.db2.gz BGYWPSKGNAHSBD-NSHDSACASA-N 0 3 295.268 2.568 20 30 CFEDHN N#CCC[C@H](C#N)CNCCc1ccnc2ccccc12 ZINC000594709923 349478744 /nfs/dbraw/zinc/47/87/44/349478744.db2.gz HISOBZUHFLUFEO-CQSZACIVSA-N 0 3 278.359 2.810 20 30 CFEDHN C[C@@H](CC#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000594733714 349483158 /nfs/dbraw/zinc/48/31/58/349483158.db2.gz COXKTYSUXHNHEI-NSHDSACASA-N 0 3 270.336 2.815 20 30 CFEDHN C=CCSCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000594921002 349508343 /nfs/dbraw/zinc/50/83/43/349508343.db2.gz OUSGKODEQMDWJU-INIZCTEOSA-N 0 3 293.432 2.863 20 30 CFEDHN CC(=O)NCc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000594951985 349526530 /nfs/dbraw/zinc/52/65/30/349526530.db2.gz OTBHYLJLCGPXFH-UHFFFAOYSA-N 0 3 299.399 2.546 20 30 CFEDHN CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@@H](O)C(F)F ZINC000594956942 349529366 /nfs/dbraw/zinc/52/93/66/349529366.db2.gz LNEQPSZDWGBSBY-UONOGXRCSA-N 0 3 294.345 2.736 20 30 CFEDHN N#CC1(c2ccc(CNCC3=CCOCC3)cc2)CC1 ZINC000594958696 349529404 /nfs/dbraw/zinc/52/94/04/349529404.db2.gz ODWQGZHKJCMUCN-UHFFFAOYSA-N 0 3 268.360 2.678 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1ccc(C#N)s1 ZINC000594955759 349528342 /nfs/dbraw/zinc/52/83/42/349528342.db2.gz DOAAPLCAJYTCGJ-LBPRGKRZSA-N 0 3 264.394 2.915 20 30 CFEDHN Cn1cc(CNCCc2ccc(C#N)cc2)c(C(C)(C)C)n1 ZINC000594955630 349528544 /nfs/dbraw/zinc/52/85/44/349528544.db2.gz QIHSTANBTSCXEY-UHFFFAOYSA-N 0 3 296.418 2.922 20 30 CFEDHN COc1ccc(CNC[C@H](c2ccco2)N(C)C)cc1C#N ZINC000124927286 187161700 /nfs/dbraw/zinc/16/17/00/187161700.db2.gz SAEYWBJJZQKZIZ-OAHLLOKOSA-N 0 3 299.374 2.552 20 30 CFEDHN COc1cc(CNC[C@@H]2CCN2C(C)(C)C)ccc1C#N ZINC000594967552 349534019 /nfs/dbraw/zinc/53/40/19/349534019.db2.gz TZDMTTLLIBDZBP-HNNXBMFYSA-N 0 3 287.407 2.529 20 30 CFEDHN Cc1ccncc1CCNCc1ccc(C#N)cc1F ZINC000594967235 349534269 /nfs/dbraw/zinc/53/42/69/349534269.db2.gz IUZGGTJYQWTBEF-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN N#CC1(c2ccc(CNCCO[C@H]3CC3(F)F)cc2)CC1 ZINC000594972036 349535722 /nfs/dbraw/zinc/53/57/22/349535722.db2.gz VZABMUJWPYFSKP-AWEZNQCLSA-N 0 3 292.329 2.756 20 30 CFEDHN C=CCCSCCNCc1ccccc1C(=O)N(C)C ZINC000594965748 349533450 /nfs/dbraw/zinc/53/34/50/349533450.db2.gz DDEZKRUBTQJPKK-UHFFFAOYSA-N 0 3 292.448 2.787 20 30 CFEDHN N#CC1(c2ccc(CNCCO[C@@H]3CC3(F)F)cc2)CC1 ZINC000594972037 349536075 /nfs/dbraw/zinc/53/60/75/349536075.db2.gz VZABMUJWPYFSKP-CQSZACIVSA-N 0 3 292.329 2.756 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)c(F)c2)CC1(F)F ZINC000594976440 349536505 /nfs/dbraw/zinc/53/65/05/349536505.db2.gz DRZHSQGNCIXMJF-LBPRGKRZSA-N 0 3 254.255 2.832 20 30 CFEDHN C[C@@]1(CCNCc2nc(C#N)cs2)CC1(F)F ZINC000594976429 349536564 /nfs/dbraw/zinc/53/65/64/349536564.db2.gz DQLMUEBTXQWPDH-SNVBAGLBSA-N 0 3 257.309 2.540 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCN(C3CCCCC3)C2)o1 ZINC000594979020 349538012 /nfs/dbraw/zinc/53/80/12/349538012.db2.gz ZWWUICWGAWZVRI-CYBMUJFWSA-N 0 3 273.380 2.648 20 30 CFEDHN COc1cc(CNC[C@H]2CCC[C@@H](C)O2)ccc1C#N ZINC000594988105 349540047 /nfs/dbraw/zinc/54/00/47/349540047.db2.gz YWICWJJLGDOMIM-IUODEOHRSA-N 0 3 274.364 2.614 20 30 CFEDHN C[C@@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595069062 349573286 /nfs/dbraw/zinc/57/32/86/349573286.db2.gz NQSDNSCUKCRCHH-RNCFNFMXSA-N 0 3 284.281 2.772 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049800 349564978 /nfs/dbraw/zinc/56/49/78/349564978.db2.gz DMRMKNXCKAQPMM-NEPJUHHUSA-N 0 3 294.351 2.581 20 30 CFEDHN C[C@@H](N[C@H](CO)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000595056562 349568291 /nfs/dbraw/zinc/56/82/91/349568291.db2.gz MFTJRYAPHBGJNE-MEBBXXQBSA-N 0 3 262.328 2.509 20 30 CFEDHN C=CCCSCCN[C@@H](C)c1cncnc1C ZINC000595060529 349571118 /nfs/dbraw/zinc/57/11/18/349571118.db2.gz UVARIGNFRGDCCD-NSHDSACASA-N 0 3 251.399 2.745 20 30 CFEDHN C[C@H](NCCO[C@H]1CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595069064 349573179 /nfs/dbraw/zinc/57/31/79/349573179.db2.gz NQSDNSCUKCRCHH-ZANVPECISA-N 0 3 284.281 2.772 20 30 CFEDHN N#CCc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000595041549 349561243 /nfs/dbraw/zinc/56/12/43/349561243.db2.gz BKQLCFADHQLXHF-HNNXBMFYSA-N 0 3 266.348 2.574 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1ccc(C#N)cc1F ZINC000595088949 349576967 /nfs/dbraw/zinc/57/69/67/349576967.db2.gz MRILGIJQZZWPTP-LKTVYLICSA-N 0 3 274.339 2.651 20 30 CFEDHN Cc1cncc(CCN[C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000595088362 349576986 /nfs/dbraw/zinc/57/69/86/349576986.db2.gz BGPZZDZQCXDCJV-GFCCVEGCSA-N 0 3 284.338 2.689 20 30 CFEDHN C[C@@H](CCn1cccn1)NCC1(C#N)CCCCC1 ZINC000595090158 349577554 /nfs/dbraw/zinc/57/75/54/349577554.db2.gz DLVACHROKTWGTJ-AWEZNQCLSA-N 0 3 260.385 2.725 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCC1(C#N)CCCCC1 ZINC000595091060 349578747 /nfs/dbraw/zinc/57/87/47/349578747.db2.gz MVEMBKMZSUKEMW-HIFRSBDPSA-N 0 3 261.413 2.533 20 30 CFEDHN C[C@H](O)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000595104230 349582284 /nfs/dbraw/zinc/58/22/84/349582284.db2.gz QYVQYMJKIHNQJK-XRGAULLZSA-N 0 3 258.365 2.780 20 30 CFEDHN C[C@@H](CNC(=O)c1cccc(CC#N)c1)N1CCC[C@H](C)C1 ZINC000068084346 346834791 /nfs/dbraw/zinc/83/47/91/346834791.db2.gz BMNPLPUPRGGDFJ-GJZGRUSLSA-N 0 3 299.418 2.603 20 30 CFEDHN N#CC1(CC(=O)NCc2ccc3c(c2)CNC3)CCCCC1 ZINC000595254266 349587082 /nfs/dbraw/zinc/58/70/82/349587082.db2.gz OFFOJKTUNDZOTK-UHFFFAOYSA-N 0 3 297.402 2.770 20 30 CFEDHN CSc1c(F)cccc1NC(=O)[C@@H](N)CCCC#N ZINC000595257082 349587834 /nfs/dbraw/zinc/58/78/34/349587834.db2.gz PMSZSZJQLZBQOH-JTQLQIEISA-N 0 3 281.356 2.507 20 30 CFEDHN CC(C)c1ccc2c(c1)CN(C(=O)[C@@H](N)CCCC#N)CC2 ZINC000595256448 349588532 /nfs/dbraw/zinc/58/85/32/349588532.db2.gz LYBNOSNVKVPUAV-KRWDZBQOSA-N 0 3 299.418 2.716 20 30 CFEDHN CCN1CCCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595309356 349599113 /nfs/dbraw/zinc/59/91/13/349599113.db2.gz RNAWWUWOTBJJGY-HNNXBMFYSA-N 0 3 277.799 2.932 20 30 CFEDHN N#Cc1ccnc(N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c1 ZINC000595291700 349592000 /nfs/dbraw/zinc/59/20/00/349592000.db2.gz SSJUKNGCHZYVHX-ZACQAIPSSA-N 0 3 296.418 2.511 20 30 CFEDHN Cc1noc(C2CCN(CCc3ccc(C#N)cc3)CC2)n1 ZINC000595295607 349595189 /nfs/dbraw/zinc/59/51/89/349595189.db2.gz MRXITUOGMKIAHV-UHFFFAOYSA-N 0 3 296.374 2.672 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000595351785 349609800 /nfs/dbraw/zinc/60/98/00/349609800.db2.gz HNUBNAPAYFYPNA-SFHVURJKSA-N 0 3 293.370 2.649 20 30 CFEDHN CO[C@H](CN[C@H](CCC#N)c1ccccc1)[C@H]1CCOC1 ZINC000595418184 349619693 /nfs/dbraw/zinc/61/96/93/349619693.db2.gz DHSAAQQDFZGBCI-GVDBMIGSSA-N 0 3 288.391 2.673 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000595481970 349639129 /nfs/dbraw/zinc/63/91/29/349639129.db2.gz PYMZDOWKCUVRTR-MRXNPFEDSA-N 0 3 266.348 2.661 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000595481569 349639481 /nfs/dbraw/zinc/63/94/81/349639481.db2.gz PYMZDOWKCUVRTR-INIZCTEOSA-N 0 3 266.348 2.661 20 30 CFEDHN CC[C@H]1CN(CC)CCN1CCc1ccc(C#N)cc1 ZINC000595521128 349650348 /nfs/dbraw/zinc/65/03/48/349650348.db2.gz RMDXZOGAMORBTA-KRWDZBQOSA-N 0 3 271.408 2.517 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H](CO)Cc1ccccc1 ZINC000595595714 349668906 /nfs/dbraw/zinc/66/89/06/349668906.db2.gz LAVNWPLEAKXRRI-QGZVFWFLSA-N 0 3 298.361 2.733 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)N2CCc3ccccc32)C1 ZINC000595611278 349674650 /nfs/dbraw/zinc/67/46/50/349674650.db2.gz IOYDRXIULLUPHQ-OAHLLOKOSA-N 0 3 297.402 2.591 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccc(F)cc2)C1 ZINC000595612390 349675762 /nfs/dbraw/zinc/67/57/62/349675762.db2.gz VWRYOXBSMSMUEV-ZDUSSCGKSA-N 0 3 289.354 2.780 20 30 CFEDHN COc1cc(CNC(C)(C)c2cccc(C#N)c2)ccn1 ZINC000595640644 349686719 /nfs/dbraw/zinc/68/67/19/349686719.db2.gz SSCWSVJJFUZYOX-UHFFFAOYSA-N 0 3 281.359 2.987 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OC)o2)C1 ZINC000595659123 349693280 /nfs/dbraw/zinc/69/32/80/349693280.db2.gz KRCXLVJBPSRXLA-LBPRGKRZSA-N 0 3 263.337 2.854 20 30 CFEDHN C=CCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)COC ZINC000595647266 349689130 /nfs/dbraw/zinc/68/91/30/349689130.db2.gz NVIMRXHRAOEZPC-ZDUSSCGKSA-N 0 3 278.352 2.660 20 30 CFEDHN C[C@H]1CCCN(Cc2ccc(C#N)cc2F)[C@H]1CCO ZINC000595691420 349702776 /nfs/dbraw/zinc/70/27/76/349702776.db2.gz AVAMZTWTQGKFSQ-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000595670263 349695807 /nfs/dbraw/zinc/69/58/07/349695807.db2.gz ACPDOSSFRCDNGX-BBRMVZONSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000595671328 349696073 /nfs/dbraw/zinc/69/60/73/349696073.db2.gz PVDXTEMNNKDMFP-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@](O)(C2CC2)C1 ZINC000595751492 349722748 /nfs/dbraw/zinc/72/27/48/349722748.db2.gz RJOWGGYRVKTOFX-DYVFJYSZSA-N 0 3 270.376 2.856 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCCC(CC)(CC)C1 ZINC000595753863 349724021 /nfs/dbraw/zinc/72/40/21/349724021.db2.gz ZKZJYOPYHDSCCZ-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2F)[C@H]1CCO ZINC000595706060 349711057 /nfs/dbraw/zinc/71/10/57/349711057.db2.gz XDVLREQDBYZXKI-DOMZBBRYSA-N 0 3 276.355 2.680 20 30 CFEDHN N#Cc1ccc(CCN2CCC(c3ccon3)CC2)cc1 ZINC000595827737 349744919 /nfs/dbraw/zinc/74/49/19/349744919.db2.gz GVLYFCKBFYEPIE-UHFFFAOYSA-N 0 3 281.359 2.968 20 30 CFEDHN CC[C@H](NCC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000595765100 349727155 /nfs/dbraw/zinc/72/71/55/349727155.db2.gz GYMYFKCHXFAAHO-ZDUSSCGKSA-N 0 3 291.420 2.953 20 30 CFEDHN COc1cccc([C@@]2(C)CCN(CCOCCC#N)C2)c1 ZINC000595770543 349728242 /nfs/dbraw/zinc/72/82/42/349728242.db2.gz XYOBZVQOPAXEQH-KRWDZBQOSA-N 0 3 288.391 2.589 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000595785029 349732754 /nfs/dbraw/zinc/73/27/54/349732754.db2.gz VTYHRNGNPFKYGP-HOTGVXAUSA-N 0 3 284.403 2.881 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1 ZINC000595787488 349733994 /nfs/dbraw/zinc/73/39/94/349733994.db2.gz JGFFCKBORGZGHK-WBVHZDCISA-N 0 3 285.391 2.734 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](C3CCC3)C2)nc1 ZINC000595832891 349747497 /nfs/dbraw/zinc/74/74/97/349747497.db2.gz JJROLVXXXJLAMJ-OAHLLOKOSA-N 0 3 255.365 2.965 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](CC(C)C)C(=O)OC ZINC000595845713 349753984 /nfs/dbraw/zinc/75/39/84/349753984.db2.gz VANZBWWJEMKQDU-HZSPNIEDSA-N 0 3 251.370 2.757 20 30 CFEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@H]1CC1(C)C ZINC000595912690 349767549 /nfs/dbraw/zinc/76/75/49/349767549.db2.gz OZGYHCPIZFQASA-CQSZACIVSA-N 0 3 291.439 2.649 20 30 CFEDHN CC[C@H](NCc1cc(C#N)cs1)[C@@H](O)C(C)C ZINC000414524603 529623520 /nfs/dbraw/zinc/62/35/20/529623520.db2.gz IJDNMURJDSCYJB-STQMWFEESA-N 0 3 252.383 2.505 20 30 CFEDHN CC12CC(C1)CN2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595918408 349768912 /nfs/dbraw/zinc/76/89/12/349768912.db2.gz BGJYZAFIZQYPKB-HQVVEAJESA-N 0 3 295.386 2.538 20 30 CFEDHN C=CCCSCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000595938995 349771335 /nfs/dbraw/zinc/77/13/35/349771335.db2.gz CKWFJOXISPHLOF-HIFRSBDPSA-N 0 3 292.448 2.748 20 30 CFEDHN C[C@H]1CCCCN1CCNc1nc2ncccc2cc1C#N ZINC000596075676 349788383 /nfs/dbraw/zinc/78/83/83/349788383.db2.gz JDFQCYNJEHDUOG-ZDUSSCGKSA-N 0 3 295.390 2.788 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2c(C#N)cnn2C)C1 ZINC000596087458 349791545 /nfs/dbraw/zinc/79/15/45/349791545.db2.gz FSWUYQCZPQGLJX-BBRMVZONSA-N 0 3 295.390 2.539 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1ccc(C#N)s1 ZINC000290361225 197683953 /nfs/dbraw/zinc/68/39/53/197683953.db2.gz GUWGKZWSPRMJRD-AWEZNQCLSA-N 0 3 264.394 2.747 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC2CCN(C3CC3)CC2)c1 ZINC000273159714 192060893 /nfs/dbraw/zinc/06/08/93/192060893.db2.gz AYRGVIFUTVWGQJ-UHFFFAOYSA-N 0 3 283.375 2.800 20 30 CFEDHN CSC1(CN2CCN(c3ccccc3C#N)CC2)CC1 ZINC000289120994 136399042 /nfs/dbraw/zinc/39/90/42/136399042.db2.gz NQKYRVCLRFAYKX-UHFFFAOYSA-N 0 3 287.432 2.576 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000295016190 199300546 /nfs/dbraw/zinc/30/05/46/199300546.db2.gz MPPACUSTFKYKKZ-INIZCTEOSA-N 0 3 257.377 2.915 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](SC)C2)cc1 ZINC000295033200 199310677 /nfs/dbraw/zinc/31/06/77/199310677.db2.gz LWDWGLFPFVRXLE-HNNXBMFYSA-N 0 3 261.390 2.636 20 30 CFEDHN Cc1ccc(C#N)nc1N(C)CCCN(C)Cc1ccco1 ZINC000596230731 349834001 /nfs/dbraw/zinc/83/40/01/349834001.db2.gz DYQYVAAHYGGUOG-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@H]1CCC[C@@H]1O ZINC000352668474 529822983 /nfs/dbraw/zinc/82/29/83/529822983.db2.gz SDTJHCUQOLLGBT-GJZGRUSLSA-N 0 3 263.768 2.537 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000596309752 349860010 /nfs/dbraw/zinc/86/00/10/349860010.db2.gz VYULFXWOHZOBGM-CQSZACIVSA-N 0 3 295.390 2.786 20 30 CFEDHN C=CCCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290622290 197768316 /nfs/dbraw/zinc/76/83/16/197768316.db2.gz XIMOTEQYSNADKQ-GJZGRUSLSA-N 0 3 287.359 2.763 20 30 CFEDHN C#CCOc1cccc(NC(=O)[C@@H](C)NC(C)(C)CC)c1 ZINC000273186569 192068305 /nfs/dbraw/zinc/06/83/05/192068305.db2.gz HIWXLQRLPVLCCL-CYBMUJFWSA-N 0 3 288.391 2.804 20 30 CFEDHN C=CCOCCNCc1ccc(Br)c(F)c1 ZINC000303549832 539474168 /nfs/dbraw/zinc/47/41/68/539474168.db2.gz ISDUOCXFLVRGRF-UHFFFAOYSA-N 0 3 288.160 2.880 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2COC3(CCCCC3)O2)cc1 ZINC000128319267 187363666 /nfs/dbraw/zinc/36/36/66/187363666.db2.gz AASRBBOZKJIBBO-INIZCTEOSA-N 0 3 286.375 2.724 20 30 CFEDHN N#Cc1ccc(NC(=O)NCCN2CCCCCC2)cc1 ZINC000027348395 346268635 /nfs/dbraw/zinc/26/86/35/346268635.db2.gz HBRBAXRLPVZYJS-UHFFFAOYSA-N 0 3 286.379 2.556 20 30 CFEDHN CC[C@@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC1 ZINC000029623258 346283133 /nfs/dbraw/zinc/28/31/33/346283133.db2.gz BDNDGFWPYCMEBL-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)N(C)C(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000030271002 346287499 /nfs/dbraw/zinc/28/74/99/346287499.db2.gz SPKFRJQURIEAFE-UHFFFAOYSA-N 0 3 299.418 2.637 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cnn(C(C)(C)C)c2)nc(C)n1 ZINC000049408085 346483408 /nfs/dbraw/zinc/48/34/08/346483408.db2.gz BJVCWXDEIOUYNY-ZDUSSCGKSA-N 0 3 297.362 2.535 20 30 CFEDHN C=CCN(Cc1ccccc1)Cc1ccn(C)c(=O)c1 ZINC000051400797 346502961 /nfs/dbraw/zinc/50/29/61/346502961.db2.gz FGIYNUUVCWRMNT-UHFFFAOYSA-N 0 3 268.360 2.574 20 30 CFEDHN Cc1nnc(NC[C@H](C)N2CCCC[C@@H]2C)c(C#N)c1C ZINC000052101754 346513606 /nfs/dbraw/zinc/51/36/06/346513606.db2.gz CUMDOWDFMVEGCH-RYUDHWBXSA-N 0 3 287.411 2.640 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000596675539 349973112 /nfs/dbraw/zinc/97/31/12/349973112.db2.gz WAIPBCJNISSQPR-QWHCGFSZSA-N 0 3 291.420 2.551 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000060842395 346672363 /nfs/dbraw/zinc/67/23/63/346672363.db2.gz NKSCDOAWVHEOGT-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)CC1CCCC1 ZINC000064020979 346714383 /nfs/dbraw/zinc/71/43/83/346714383.db2.gz KUOJRFDDXLCERV-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000076733943 347150277 /nfs/dbraw/zinc/15/02/77/347150277.db2.gz MNOQGCDTQOXHCI-MRXNPFEDSA-N 0 3 283.375 2.562 20 30 CFEDHN N#CCCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381682 347190533 /nfs/dbraw/zinc/19/05/33/347190533.db2.gz XRZULMFRSQJDGT-CYBMUJFWSA-N 0 3 258.321 2.856 20 30 CFEDHN C#CCOc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000077467973 347194032 /nfs/dbraw/zinc/19/40/32/347194032.db2.gz DZSWPPXUPSSWMF-LJQANCHMSA-N 0 3 295.382 2.912 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncccc2C#N)C1 ZINC000078507201 347259010 /nfs/dbraw/zinc/25/90/10/347259010.db2.gz WFBKWPXSZDUURB-QGZVFWFLSA-N 0 3 292.386 2.664 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000080974468 347391939 /nfs/dbraw/zinc/39/19/39/347391939.db2.gz BHPXPBZYUPGIST-OAHLLOKOSA-N 0 3 266.348 2.661 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)nc3[nH]ccc32)CC1 ZINC000080980712 347393464 /nfs/dbraw/zinc/39/34/64/347393464.db2.gz XVSVNZVEMLGPQQ-UHFFFAOYSA-N 0 3 285.395 2.719 20 30 CFEDHN O=C(C#Cc1ccccc1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000081688881 347433921 /nfs/dbraw/zinc/43/39/21/347433921.db2.gz QUVLUCXAMPDZOU-GOSISDBHSA-N 0 3 296.414 2.515 20 30 CFEDHN C=C(C)COCCN[C@H]1CCc2c1cccc2OC ZINC000090451361 347550157 /nfs/dbraw/zinc/55/01/57/347550157.db2.gz OXOYNKXCZZOQGI-HNNXBMFYSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCc1cc(CN2CC[C@@H](C)C2)cc(OC)c1O ZINC000092471356 347627606 /nfs/dbraw/zinc/62/76/06/347627606.db2.gz RIVDHIQRHVVQFS-GFCCVEGCSA-N 0 3 261.365 2.971 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000092767486 347646508 /nfs/dbraw/zinc/64/65/08/347646508.db2.gz QYILKISLVSIEKQ-QWHCGFSZSA-N 0 3 260.381 2.590 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000092073085 347608972 /nfs/dbraw/zinc/60/89/72/347608972.db2.gz IGRRLUAITKIIPP-INIZCTEOSA-N 0 3 295.386 2.801 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@]2(CCOC2)C1 ZINC000093820297 347684240 /nfs/dbraw/zinc/68/42/40/347684240.db2.gz VDANSNHTLLIGLS-KRWDZBQOSA-N 0 3 273.376 2.864 20 30 CFEDHN C[C@@H](c1cccnc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000093235252 347665998 /nfs/dbraw/zinc/66/59/98/347665998.db2.gz GEOTZILFPXLJJQ-GUYCJALGSA-N 0 3 281.359 2.680 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C1CC1)C1CCCC1 ZINC000104667531 347725741 /nfs/dbraw/zinc/72/57/41/347725741.db2.gz RTPONWCNEMHMBA-UHFFFAOYSA-N 0 3 264.413 2.818 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CCC)CC2CC2)CC1 ZINC000106341279 347730854 /nfs/dbraw/zinc/73/08/54/347730854.db2.gz DEYXHHPZKXTLMU-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CC)CC1 ZINC000119953905 347804892 /nfs/dbraw/zinc/80/48/92/347804892.db2.gz MEQRXAJJMLCPNJ-GDBMZVCRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCc1cc(CN[C@H](CC)COC)cc(OC)c1O ZINC000120209329 347806084 /nfs/dbraw/zinc/80/60/84/347806084.db2.gz OFYKBLVWQXYFCQ-CQSZACIVSA-N 0 3 279.380 2.644 20 30 CFEDHN CCc1nnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c(C#N)c1CC ZINC000128644318 187381479 /nfs/dbraw/zinc/38/14/79/187381479.db2.gz DEUJURRXFVAITQ-NEPJUHHUSA-N 0 3 299.422 2.510 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCCC[C@@H]1CC(C)C ZINC000123653386 347820233 /nfs/dbraw/zinc/82/02/33/347820233.db2.gz ZMSSUQKBMVKDJU-OAHLLOKOSA-N 0 3 279.428 2.649 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000124635638 347825523 /nfs/dbraw/zinc/82/55/23/347825523.db2.gz PRXPUCLZIMUDKD-NVXWUHKLSA-N 0 3 286.419 2.947 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC(C)(C)CC1 ZINC000127066918 347839080 /nfs/dbraw/zinc/83/90/80/347839080.db2.gz INXNYJYTNDQBEJ-MRXNPFEDSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000668554203 539573368 /nfs/dbraw/zinc/57/33/68/539573368.db2.gz LJUXGYBCXRDZEU-HALDLXJZSA-N 0 3 275.392 2.700 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1 ZINC000668554466 539574249 /nfs/dbraw/zinc/57/42/49/539574249.db2.gz MYRNLEIKWVMCFM-ZIAGYGMSSA-N 0 3 275.392 2.700 20 30 CFEDHN C=CCCN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000132699813 347886420 /nfs/dbraw/zinc/88/64/20/347886420.db2.gz DAJSTBLSMNATNC-CQSZACIVSA-N 0 3 288.391 2.560 20 30 CFEDHN N#CC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC1 ZINC000134521447 347898860 /nfs/dbraw/zinc/89/88/60/347898860.db2.gz JAOGBQKHTMVYQJ-MRXNPFEDSA-N 0 3 297.402 2.634 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000135089141 347904201 /nfs/dbraw/zinc/90/42/01/347904201.db2.gz PQHXTLGRANBQNM-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)C(C)(C)C#N)N2CCCC2)cc1 ZINC000143070849 347935977 /nfs/dbraw/zinc/93/59/77/347935977.db2.gz XASKCITYGRFWNY-INIZCTEOSA-N 0 3 299.418 2.798 20 30 CFEDHN COc1cccc([C@@H](CNc2cccnc2C#N)N(C)C)c1 ZINC000273939906 192371606 /nfs/dbraw/zinc/37/16/06/192371606.db2.gz DAMXDFMHPXXOHT-QGZVFWFLSA-N 0 3 296.374 2.677 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(c2ccncc2)CC1 ZINC000151284660 347961255 /nfs/dbraw/zinc/96/12/55/347961255.db2.gz CFMUIKYXJDRJGW-HNNXBMFYSA-N 0 3 292.386 2.836 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)CC2CCCCC2)CC1 ZINC000171737090 348079879 /nfs/dbraw/zinc/07/98/79/348079879.db2.gz UJVAQUUDKWEARO-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)CCOCC1CC1 ZINC000165497712 348040127 /nfs/dbraw/zinc/04/01/27/348040127.db2.gz AVRBARUOFJTXPJ-UHFFFAOYSA-N 0 3 258.365 2.725 20 30 CFEDHN COCC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165484973 348040251 /nfs/dbraw/zinc/04/02/51/348040251.db2.gz DLEFWDFGXULZRU-UHFFFAOYSA-N 0 3 258.365 2.725 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000185940790 348129306 /nfs/dbraw/zinc/12/93/06/348129306.db2.gz KXHPCUHNVVJLMN-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCCCCC2)c(F)c1 ZINC000087089350 179393400 /nfs/dbraw/zinc/39/34/00/179393400.db2.gz BTAKYWFXSXBRAB-UHFFFAOYSA-N 0 3 276.355 2.872 20 30 CFEDHN CC[C@@H](NCc1cncn1C)c1ccc(C#N)cc1 ZINC000289664195 348350253 /nfs/dbraw/zinc/35/02/53/348350253.db2.gz GVPNRAJGOSYLQQ-OAHLLOKOSA-N 0 3 254.337 2.533 20 30 CFEDHN N#CCCCCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275069665 348335641 /nfs/dbraw/zinc/33/56/41/348335641.db2.gz VEISCMZDSCODNO-UHFFFAOYSA-N 0 3 294.786 2.667 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](CO)CC1)c1ccc(C#N)cc1F ZINC000305832189 348382964 /nfs/dbraw/zinc/38/29/64/348382964.db2.gz UWPBLPIXHKWTOH-SGMGOOAPSA-N 0 3 276.355 2.899 20 30 CFEDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293549329 348362905 /nfs/dbraw/zinc/36/29/05/348362905.db2.gz RBRBPDWFJBMIMC-SJLPKXTDSA-N 0 3 299.418 2.647 20 30 CFEDHN C=CC[C@@H](CO)NCc1csc(Br)c1 ZINC000273353386 192123963 /nfs/dbraw/zinc/12/39/63/192123963.db2.gz BNFPUQORPNJYJL-VIFPVBQESA-N 0 3 276.199 2.537 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC)c(OC)c1Cl ZINC000320824395 348437592 /nfs/dbraw/zinc/43/75/92/348437592.db2.gz YUWYZDPTSRBPAD-GFCCVEGCSA-N 0 3 299.798 2.774 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000336623522 348451981 /nfs/dbraw/zinc/45/19/81/348451981.db2.gz KSAFPZBNGSYYBK-VIFPVBQESA-N 0 3 250.729 2.851 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000339999260 348454961 /nfs/dbraw/zinc/45/49/61/348454961.db2.gz KBXDNTXAOSIFGV-DQPZFDDXSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](O)CC(C)(C)C1 ZINC000295153299 199375264 /nfs/dbraw/zinc/37/52/64/199375264.db2.gz CYDSWQNSJNPELF-MRXNPFEDSA-N 0 3 287.403 2.682 20 30 CFEDHN C#CCCN1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000365029801 348510910 /nfs/dbraw/zinc/51/09/10/348510910.db2.gz RJBMFKHERWTTAS-QGZVFWFLSA-N 0 3 290.451 2.509 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379708879 348522297 /nfs/dbraw/zinc/52/22/97/348522297.db2.gz GZYKWUWABUHRMK-SJORKVTESA-N 0 3 299.418 2.707 20 30 CFEDHN CC[C@H](C#N)C(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000379700734 348522372 /nfs/dbraw/zinc/52/23/72/348522372.db2.gz UELSQQLEGJNFAU-OAHLLOKOSA-N 0 3 287.407 2.563 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C ZINC000404062535 348589388 /nfs/dbraw/zinc/58/93/88/348589388.db2.gz DQQCIUYIDFJSGH-NSHDSACASA-N 0 3 292.354 2.765 20 30 CFEDHN C[C@H]1CN(CCOCCC#N)CCc2ccccc21 ZINC000404702565 348593803 /nfs/dbraw/zinc/59/38/03/348593803.db2.gz GQEQKHSEZHJQQL-AWEZNQCLSA-N 0 3 258.365 2.578 20 30 CFEDHN Cc1cc(N[C@@H]2CCCN(C)[C@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413238587 233039889 /nfs/dbraw/zinc/03/98/89/233039889.db2.gz IFVYUOHMOMOWCY-WCQYABFASA-N 0 3 288.351 2.670 20 30 CFEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)CCCO1 ZINC000399057568 348568805 /nfs/dbraw/zinc/56/88/05/348568805.db2.gz XVXQSDZOEBWFLI-UHFFFAOYSA-N 0 3 258.365 2.754 20 30 CFEDHN C=CCCC[C@@H](C)N1CC[S@@](=O)C(C)(C)CC1 ZINC000451751664 348622507 /nfs/dbraw/zinc/62/25/07/348622507.db2.gz CHWDOJJJZUSVBK-CXAGYDPISA-N 0 3 257.443 2.964 20 30 CFEDHN C[C@@H](CNC(=O)CCCCCC#N)N1CCCC[C@@H]1C ZINC000588150465 348773218 /nfs/dbraw/zinc/77/32/18/348773218.db2.gz VQLQZDLGRVCLKZ-GJZGRUSLSA-N 0 3 279.428 2.840 20 30 CFEDHN N#CCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000588147462 348773556 /nfs/dbraw/zinc/77/35/56/348773556.db2.gz NTIXTWZZUNZGCF-QGZVFWFLSA-N 0 3 299.418 2.851 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC#N ZINC000588637050 348788988 /nfs/dbraw/zinc/78/89/88/348788988.db2.gz NOWFPMKYIDICRR-CABCVRRESA-N 0 3 277.412 2.546 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000273478199 192166576 /nfs/dbraw/zinc/16/65/76/192166576.db2.gz KQTXCGMNTJJIKF-OAHLLOKOSA-N 0 3 291.391 2.669 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000585755171 348743382 /nfs/dbraw/zinc/74/33/82/348743382.db2.gz NXVNBNQQZXVLPA-YQQAZPJKSA-N 0 3 287.403 2.798 20 30 CFEDHN CCCN(CCN1CCCCC1)Cc1ccnc(C#N)c1 ZINC000586781227 348751340 /nfs/dbraw/zinc/75/13/40/348751340.db2.gz KBKWTFFMLGHAON-UHFFFAOYSA-N 0 3 286.423 2.651 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000586793456 348753225 /nfs/dbraw/zinc/75/32/25/348753225.db2.gz DMLBPPKJIXFKSU-UMNHJUIQSA-N 0 3 271.320 2.876 20 30 CFEDHN Cc1nsc(NC[C@@H](C)N2CCC[C@@H](C)C2)c1C#N ZINC000587210547 348762083 /nfs/dbraw/zinc/76/20/83/348762083.db2.gz NXYOOVCNGJZTPF-GHMZBOCLSA-N 0 3 278.425 2.856 20 30 CFEDHN C[C@H](NCc1ccnc(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000590024799 348869596 /nfs/dbraw/zinc/86/95/96/348869596.db2.gz NERCUHOPYBHXPS-ZBEGNZNMSA-N 0 3 299.399 2.807 20 30 CFEDHN N#CCCC[C@@H](NCCn1ccccc1=O)c1ccccc1 ZINC000590121824 348875412 /nfs/dbraw/zinc/87/54/12/348875412.db2.gz ZQYVRRLMBMKPEY-QGZVFWFLSA-N 0 3 295.386 2.873 20 30 CFEDHN N#CCCOCCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000590166036 348880623 /nfs/dbraw/zinc/88/06/23/348880623.db2.gz KDWSHVBHBCIGTQ-AWEZNQCLSA-N 0 3 299.374 2.937 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(c3cccnc3)CC2)C1 ZINC000590168673 348881773 /nfs/dbraw/zinc/88/17/73/348881773.db2.gz PHJZVZNRRIUWHS-XJKSGUPXSA-N 0 3 255.365 2.953 20 30 CFEDHN C=CCOCCN[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000590172855 348882651 /nfs/dbraw/zinc/88/26/51/348882651.db2.gz WMKSHMGFMSIXEU-OAHLLOKOSA-N 0 3 291.391 2.719 20 30 CFEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cccc(C2CC2)c1 ZINC000590745415 348940890 /nfs/dbraw/zinc/94/08/90/348940890.db2.gz GTCNRVWUBGTYFU-CYBMUJFWSA-N 0 3 297.402 2.777 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCc3cc(C#N)ccc32)[C@@H](C)O1 ZINC000590746510 348941331 /nfs/dbraw/zinc/94/13/31/348941331.db2.gz GDRXHADJBUALBR-WVATUKLVSA-N 0 3 256.349 2.701 20 30 CFEDHN C[C@]12CN(C[C@H](C#N)CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590765078 348944608 /nfs/dbraw/zinc/94/46/08/348944608.db2.gz PTAIYSOHKZFOKD-XFIYOXNOSA-N 0 3 257.381 2.798 20 30 CFEDHN C=CC(C)(C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658794 348923691 /nfs/dbraw/zinc/92/36/91/348923691.db2.gz UPAUGKNBSPYLFZ-UHFFFAOYSA-N 0 3 292.335 2.668 20 30 CFEDHN C=CCOc1ccc(CNC2([C@@H](C)O)CC2)cc1Cl ZINC000668697346 539701531 /nfs/dbraw/zinc/70/15/31/539701531.db2.gz DLVDTVVYKWBBSR-LLVKDONJSA-N 0 3 281.783 2.908 20 30 CFEDHN COC(=O)c1ccc(CN(C)[C@@H](C)CCC#N)cc1 ZINC000591016801 348978150 /nfs/dbraw/zinc/97/81/50/348978150.db2.gz GYRIWFQSROXENE-LBPRGKRZSA-N 0 3 260.337 2.597 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1(C(F)(F)F)CC1 ZINC000590912968 348965950 /nfs/dbraw/zinc/96/59/50/348965950.db2.gz CCWXLJQAZTZMJV-GFCCVEGCSA-N 0 3 296.292 2.970 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NC[C@@H](C#N)CCC#N ZINC000591769545 349042763 /nfs/dbraw/zinc/04/27/63/349042763.db2.gz QBWYMJJHJDZVGD-CVEARBPZSA-N 0 3 276.428 2.530 20 30 CFEDHN CN(C)C(=O)c1ccccc1CN1CCC(CC#N)CC1 ZINC000591356368 349011672 /nfs/dbraw/zinc/01/16/72/349011672.db2.gz JCMIIRJNIPGSAI-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591477621 349026929 /nfs/dbraw/zinc/02/69/29/349026929.db2.gz MTSOGENWCJSVRY-CJNGLKHVSA-N 0 3 272.392 2.833 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CC1(F)F ZINC000591504110 349027518 /nfs/dbraw/zinc/02/75/18/349027518.db2.gz XNECIUKZADSYJN-LDYMZIIASA-N 0 3 254.255 2.831 20 30 CFEDHN COc1ccccc1C1(NCCCSCC#N)CC1 ZINC000592143352 349090060 /nfs/dbraw/zinc/09/00/60/349090060.db2.gz VOQWAPLDNMIBEQ-UHFFFAOYSA-N 0 3 276.405 2.921 20 30 CFEDHN CC(C)Cc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592152153 349092538 /nfs/dbraw/zinc/09/25/38/349092538.db2.gz VBIBKHSXSMOKRC-QGZVFWFLSA-N 0 3 272.392 2.736 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)[C@@H]1SC ZINC000592166892 349094772 /nfs/dbraw/zinc/09/47/72/349094772.db2.gz KRVXVGXKONWVNC-KFWWJZLASA-N 0 3 276.405 2.557 20 30 CFEDHN N#CCCCN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592175271 349095381 /nfs/dbraw/zinc/09/53/81/349095381.db2.gz IMAQJBYCYREKGG-MRXNPFEDSA-N 0 3 270.376 2.950 20 30 CFEDHN CC[C@H](C)C[C@H](CO)NCc1ccc(C#N)cc1F ZINC000592374792 349111372 /nfs/dbraw/zinc/11/13/72/349111372.db2.gz JDCQRJSSYVRASA-SMDDNHRTSA-N 0 3 264.344 2.584 20 30 CFEDHN N#CCc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000592391475 349113400 /nfs/dbraw/zinc/11/34/00/349113400.db2.gz XRCUBIYSXPHKDL-CVEARBPZSA-N 0 3 253.349 2.925 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(CO)cc1)CC2 ZINC000592392868 349114662 /nfs/dbraw/zinc/11/46/62/349114662.db2.gz AYZCQNRSLODUKW-SFHVURJKSA-N 0 3 278.355 2.828 20 30 CFEDHN CCC[C@@H](CN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592522233 349132454 /nfs/dbraw/zinc/13/24/54/349132454.db2.gz JPXXVLSASSICEY-DLBZAZTESA-N 0 3 272.392 2.921 20 30 CFEDHN N#CCCC1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000592568415 349138234 /nfs/dbraw/zinc/13/82/34/349138234.db2.gz OSZJVIGSMYXUOP-MRXNPFEDSA-N 0 3 285.391 2.619 20 30 CFEDHN CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000592568681 349138240 /nfs/dbraw/zinc/13/82/40/349138240.db2.gz UPEIRBCROGITMV-RRFJBIMHSA-N 0 3 291.439 2.682 20 30 CFEDHN Cc1cncc(CCN[C@H](C)c2ccc(C#N)cc2F)n1 ZINC000593023610 349189737 /nfs/dbraw/zinc/18/97/37/349189737.db2.gz XMLSOXVRVHMLAN-GFCCVEGCSA-N 0 3 284.338 2.689 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccccc1F ZINC000592832264 349169398 /nfs/dbraw/zinc/16/93/98/349169398.db2.gz RXNYAVNHUGDATM-MLGOLLRUSA-N 0 3 274.339 2.909 20 30 CFEDHN CC(C)N(C(=O)[C@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592870022 349173603 /nfs/dbraw/zinc/17/36/03/349173603.db2.gz BTUCBHHZFACIHY-NVXWUHKLSA-N 0 3 299.418 2.658 20 30 CFEDHN COc1ccc(C2CCN([C@H](C)CCC#N)CC2)nc1 ZINC000593042307 349193163 /nfs/dbraw/zinc/19/31/63/349193163.db2.gz YNUOEPUYRPRTGW-CYBMUJFWSA-N 0 3 273.380 2.962 20 30 CFEDHN CC[C@@H]1COC(C)(C)CN1CCCC1(C#N)CCOCC1 ZINC000593058111 349197440 /nfs/dbraw/zinc/19/74/40/349197440.db2.gz JMCVTLDZLPBVSJ-OAHLLOKOSA-N 0 3 294.439 2.976 20 30 CFEDHN CN(CCN1CCCCC1)c1ccc(F)cc1C#N ZINC000593517958 349288663 /nfs/dbraw/zinc/28/86/63/349288663.db2.gz VTPJEPYGLQYMJY-UHFFFAOYSA-N 0 3 261.344 2.619 20 30 CFEDHN CC[C@H](C#N)C(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000593604208 349297274 /nfs/dbraw/zinc/29/72/74/349297274.db2.gz ISAOLYNTVDXUTQ-IAGOWNOFSA-N 0 3 299.418 2.659 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000593604209 349297286 /nfs/dbraw/zinc/29/72/86/349297286.db2.gz ISAOLYNTVDXUTQ-IRXDYDNUSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H](C(=O)N1Cc2cccc(C#N)c2C1)N1CCCCCC1 ZINC000593365628 349254559 /nfs/dbraw/zinc/25/45/59/349254559.db2.gz LNKAGMHZXWJEPY-CQSZACIVSA-N 0 3 297.402 2.665 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000593447998 349272624 /nfs/dbraw/zinc/27/26/24/349272624.db2.gz KRZFRYRMCCHFMT-WBVHZDCISA-N 0 3 299.418 2.880 20 30 CFEDHN COc1ccc(CN(C)C)cc1NC(=O)CCCCC#N ZINC000593961088 349340594 /nfs/dbraw/zinc/34/05/94/349340594.db2.gz QEGXPGPXEMOGGF-UHFFFAOYSA-N 0 3 289.379 2.779 20 30 CFEDHN N#CCC1CCN(CCc2noc3ccccc32)CC1 ZINC000593972980 349343129 /nfs/dbraw/zinc/34/31/29/349343129.db2.gz XOVVZRLMPKQCGO-UHFFFAOYSA-N 0 3 269.348 2.996 20 30 CFEDHN CC(C)(CCN1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000593974067 349343506 /nfs/dbraw/zinc/34/35/06/349343506.db2.gz RYQSVWXKNMNDFG-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN Cc1nccn1CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033049 349358417 /nfs/dbraw/zinc/35/84/17/349358417.db2.gz FOJCOZZFXRFQQF-UHFFFAOYSA-N 0 3 280.375 2.732 20 30 CFEDHN C[C@@H](NC(=O)CCCCC#N)[C@H](c1ccccc1)N(C)C ZINC000594005016 349351291 /nfs/dbraw/zinc/35/12/91/349351291.db2.gz SYBQTRVYOHZBIE-RHSMWYFYSA-N 0 3 287.407 2.878 20 30 CFEDHN N#Cc1cccc(CNC[C@@]2(CO)CCc3ccccc32)c1 ZINC000593653220 349305263 /nfs/dbraw/zinc/30/52/63/349305263.db2.gz WOPPDSWOIFGBKU-LJQANCHMSA-N 0 3 292.382 2.524 20 30 CFEDHN C[C@@H](COCC1CC1)NCc1ccc(C#N)c(F)c1 ZINC000593682179 349309382 /nfs/dbraw/zinc/30/93/82/349309382.db2.gz PQOGXLJRIPUDBX-NSHDSACASA-N 0 3 262.328 2.602 20 30 CFEDHN CO[C@H](CNC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594036134 349359012 /nfs/dbraw/zinc/35/90/12/349359012.db2.gz XHIMHRBOLZZLKH-MRXNPFEDSA-N 0 3 270.376 2.952 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000594317137 349406585 /nfs/dbraw/zinc/40/65/85/349406585.db2.gz LUVVLLYGSLJAST-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN CN1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000594333151 349408473 /nfs/dbraw/zinc/40/84/73/349408473.db2.gz WFKCZXQSZPMUEB-WBVHZDCISA-N 0 3 285.391 2.632 20 30 CFEDHN C[C@H](CCC(C)(C)C)NC(=O)[C@H](N)CCCCC#N ZINC000594444429 349423481 /nfs/dbraw/zinc/42/34/81/349423481.db2.gz LXMXUQWXMQPRQS-CHWSQXEVSA-N 0 3 267.417 2.729 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594442399 349423726 /nfs/dbraw/zinc/42/37/26/349423726.db2.gz FIGIHNIYZDLUEE-KKUMJFAQSA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@H](N)CCCCC#N ZINC000594442969 349423810 /nfs/dbraw/zinc/42/38/10/349423810.db2.gz DUNGFVUQIZZUSE-DJIMGWMZSA-N 0 3 299.418 2.802 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594447101 349424781 /nfs/dbraw/zinc/42/47/81/349424781.db2.gz SYIIUDDEDYCTAM-ZNMIVQPWSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000594449547 349425293 /nfs/dbraw/zinc/42/52/93/349425293.db2.gz JSJZGDGQMGEGPQ-WBVHZDCISA-N 0 3 289.423 2.747 20 30 CFEDHN Cc1ccccc1C1(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594450348 349425613 /nfs/dbraw/zinc/42/56/13/349425613.db2.gz YZNRROXOJGWHNL-OAHLLOKOSA-N 0 3 285.391 2.512 20 30 CFEDHN Cc1ccccc1C1(NC(=O)[C@H](N)CCCCC#N)CCC1 ZINC000594452729 349425952 /nfs/dbraw/zinc/42/59/52/349425952.db2.gz IQTGLNCZPHZKIS-MRXNPFEDSA-N 0 3 299.418 2.902 20 30 CFEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1Cl ZINC000594458768 349426814 /nfs/dbraw/zinc/42/68/14/349426814.db2.gz WPDZGUSYAWTMPG-ZDUSSCGKSA-N 0 3 279.771 2.998 20 30 CFEDHN N#CC1(c2ccc(CN3CC([C@@H]4CCOC4)C3)cc2)CC1 ZINC000597116414 350032006 /nfs/dbraw/zinc/03/20/06/350032006.db2.gz PLOCDJJIOPQYHT-OAHLLOKOSA-N 0 3 282.387 2.710 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N2CCCC2)cc1 ZINC000596997592 350014494 /nfs/dbraw/zinc/01/44/94/350014494.db2.gz FDBSEZVZSVFMLJ-WBVHZDCISA-N 0 3 299.418 2.798 20 30 CFEDHN C[C@@H]1COCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597007268 350015311 /nfs/dbraw/zinc/01/53/11/350015311.db2.gz BNRJSHMOXRVIFF-CQSZACIVSA-N 0 3 270.376 2.853 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000597076038 350024687 /nfs/dbraw/zinc/02/46/87/350024687.db2.gz ZIIMFPNXRVKLKI-UHFFFAOYSA-N 0 3 298.386 2.817 20 30 CFEDHN N#CC1(c2ccc(CN3CCOCC4(CC4)C3)cc2)CC1 ZINC000597081969 350026353 /nfs/dbraw/zinc/02/63/53/350026353.db2.gz KEUJHIVEHSVZDL-UHFFFAOYSA-N 0 3 282.387 2.854 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)CN1C ZINC000597090005 350029241 /nfs/dbraw/zinc/02/92/41/350029241.db2.gz ZNBQIJGXKBHPKM-HUUCEWRRSA-N 0 3 283.419 2.766 20 30 CFEDHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594426497 349417888 /nfs/dbraw/zinc/41/78/88/349417888.db2.gz DGGXSYQHRRGIMR-WFASDCNBSA-N 0 3 291.370 2.756 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000594428300 349418408 /nfs/dbraw/zinc/41/84/08/349418408.db2.gz MJMRPZARGYRKSV-HOTGVXAUSA-N 0 3 285.391 2.665 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000594427779 349418616 /nfs/dbraw/zinc/41/86/16/349418616.db2.gz JFGVQDKISWRQQF-IAGOWNOFSA-N 0 3 299.418 2.631 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000594427775 349418722 /nfs/dbraw/zinc/41/87/22/349418722.db2.gz JFGVQDKISWRQQF-DLBZAZTESA-N 0 3 299.418 2.631 20 30 CFEDHN CC(C)Oc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594428842 349419369 /nfs/dbraw/zinc/41/93/69/349419369.db2.gz NXXZBVMBKGXKFT-OAHLLOKOSA-N 0 3 289.379 2.824 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccsc1 ZINC000594429050 349419967 /nfs/dbraw/zinc/41/99/67/349419967.db2.gz QBQWWEXNHBKZAN-KBPBESRZSA-N 0 3 291.420 2.823 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594432823 349420822 /nfs/dbraw/zinc/42/08/22/349420822.db2.gz BZVYWGNYBQOCJD-SOUVJXGZSA-N 0 3 279.428 2.729 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N(CC1CC1)c1ccccc1 ZINC000594433346 349421020 /nfs/dbraw/zinc/42/10/20/349421020.db2.gz ODKJGISRKIQFOS-MRXNPFEDSA-N 0 3 285.391 2.841 20 30 CFEDHN CC(C)C1CCC(NC(=O)[C@H](N)CCCCC#N)CC1 ZINC000594434000 349421624 /nfs/dbraw/zinc/42/16/24/349421624.db2.gz WFCPHDJUPAQQLY-YMAMQOFZSA-N 0 3 279.428 2.729 20 30 CFEDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](N)CCCCC#N ZINC000594434589 349421720 /nfs/dbraw/zinc/42/17/20/349421720.db2.gz PULBSJCRVXFBLC-QPSCCSFWSA-N 0 3 277.412 2.577 20 30 CFEDHN CC1(C)C[C@H](NC(=O)[C@@H](N)CCCCC#N)c2ccccc21 ZINC000594436496 349421886 /nfs/dbraw/zinc/42/18/86/349421886.db2.gz IYBCUUZOZBZGJT-HOTGVXAUSA-N 0 3 299.418 2.936 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CC1(C)C ZINC000597253480 350073162 /nfs/dbraw/zinc/07/31/62/350073162.db2.gz BMRSPNPSGDYSPY-CYBMUJFWSA-N 0 3 268.364 2.684 20 30 CFEDHN COC(=O)c1oc(CNCC(C)(C)CCC#N)cc1C ZINC000597130090 350034751 /nfs/dbraw/zinc/03/47/51/350034751.db2.gz KSFAUEATYFFMKG-UHFFFAOYSA-N 0 3 278.352 2.794 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597130969 350035546 /nfs/dbraw/zinc/03/55/46/350035546.db2.gz UGZVMWCBLYRICF-IYBDPMFKSA-N 0 3 270.376 2.851 20 30 CFEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)CC(C)(C)CO ZINC000597135550 350036267 /nfs/dbraw/zinc/03/62/67/350036267.db2.gz GIGXUGHUAPXZAP-UHFFFAOYSA-N 0 3 272.392 2.692 20 30 CFEDHN N#CC1(c2ccc(CN3CC4(C3)CCOCC4)cc2)CC1 ZINC000597145943 350038796 /nfs/dbraw/zinc/03/87/96/350038796.db2.gz LKIAVJZYRIZVHZ-UHFFFAOYSA-N 0 3 282.387 2.854 20 30 CFEDHN N#CC1(c2ccc(CN3CCC(C4(O)CC4)CC3)cc2)CC1 ZINC000597159274 350041643 /nfs/dbraw/zinc/04/16/43/350041643.db2.gz WVGDLNNSWODGCQ-UHFFFAOYSA-N 0 3 296.414 2.979 20 30 CFEDHN C=CCCSCCNCc1cc(C)c(C(=O)OC)o1 ZINC000597183247 350047030 /nfs/dbraw/zinc/04/70/30/350047030.db2.gz ALSDBEZZKQFHIA-UHFFFAOYSA-N 0 3 283.393 2.774 20 30 CFEDHN COCCC1CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597183987 350047244 /nfs/dbraw/zinc/04/72/44/350047244.db2.gz PLDGGVDCJPFCOV-UHFFFAOYSA-N 0 3 270.376 2.710 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)o1 ZINC000597225074 350062610 /nfs/dbraw/zinc/06/26/10/350062610.db2.gz NAVRECNMLFPHOF-CZUORRHYSA-N 0 3 274.364 2.932 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000597539448 350109948 /nfs/dbraw/zinc/10/99/48/350109948.db2.gz SGQUNNFXVJVVKN-YJBOKZPZSA-N 0 3 299.418 2.707 20 30 CFEDHN CN(C)C1(CN(C)C(=O)CC2(C#N)CCCCC2)CCC1 ZINC000597541310 350110103 /nfs/dbraw/zinc/11/01/03/350110103.db2.gz RYINTYXGSBECOX-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@H](CC#N)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000597345049 350086803 /nfs/dbraw/zinc/08/68/03/350086803.db2.gz FAPQYHJORDDUCF-OAHLLOKOSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H](CC#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000597751197 350131248 /nfs/dbraw/zinc/13/12/48/350131248.db2.gz IRLDACKRTWMDDF-CQSZACIVSA-N 0 3 293.455 2.895 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000597856030 350144096 /nfs/dbraw/zinc/14/40/96/350144096.db2.gz VGHVDFNAOPLRSD-SSDOTTSWSA-N 0 3 257.120 2.769 20 30 CFEDHN CCN1CC[C@@H](N(C)c2snc(Cl)c2C#N)[C@@H](C)C1 ZINC000271277628 191045744 /nfs/dbraw/zinc/04/57/44/191045744.db2.gz FRLGXIDUWZQULT-GXSJLCMTSA-N 0 3 298.843 2.835 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000598223773 350219869 /nfs/dbraw/zinc/21/98/69/350219869.db2.gz MZJCHPRDOPQETG-FZMZJTMJSA-N 0 3 290.338 2.664 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598234626 350222477 /nfs/dbraw/zinc/22/24/77/350222477.db2.gz UQOBUJUKJBNHIY-CVEARBPZSA-N 0 3 281.359 2.545 20 30 CFEDHN CC1(C)CC[C@@H](CO)N(Cc2cccc(C#N)c2)C1 ZINC000598647953 350301495 /nfs/dbraw/zinc/30/14/95/350301495.db2.gz NJKFARWIHVBZKE-HNNXBMFYSA-N 0 3 258.365 2.541 20 30 CFEDHN N#Cc1ccccc1CN1CCNC[C@H]1c1cccc(F)c1 ZINC000598679350 350309504 /nfs/dbraw/zinc/30/95/04/350309504.db2.gz GZZNBDJYEQYEMO-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN CSc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598699207 350311847 /nfs/dbraw/zinc/31/18/47/350311847.db2.gz CUEINFVENUCCTQ-ZDUSSCGKSA-N 0 3 278.421 2.799 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(Cl)cc1 ZINC000598704426 350313881 /nfs/dbraw/zinc/31/38/81/350313881.db2.gz OXTSGDWPYRJMBZ-CYBMUJFWSA-N 0 3 266.772 2.730 20 30 CFEDHN CC(C)N(Cc1ccco1)C[C@@H](O)CC(C)(C)C#N ZINC000598587315 350286505 /nfs/dbraw/zinc/28/65/05/350286505.db2.gz PMDOFRUJUAPYNN-ZDUSSCGKSA-N 0 3 264.369 2.791 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598587717 350287329 /nfs/dbraw/zinc/28/73/29/350287329.db2.gz UEKDHPZBYKJAOZ-MRXNPFEDSA-N 0 3 272.392 2.975 20 30 CFEDHN CC(C)(C)OC1CCN(C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598592811 350288340 /nfs/dbraw/zinc/28/83/40/350288340.db2.gz LJBJJTFJVLZMIQ-ZDUSSCGKSA-N 0 3 282.428 2.567 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccncc1 ZINC000598598143 350289972 /nfs/dbraw/zinc/28/99/72/350289972.db2.gz ATIKVFQXPGIBAG-LSDHHAIUSA-N 0 3 273.380 2.519 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000598606616 350292817 /nfs/dbraw/zinc/29/28/17/350292817.db2.gz IJOMOQMQBZRLCF-CQSZACIVSA-N 0 3 294.439 2.711 20 30 CFEDHN COCC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598612989 350293401 /nfs/dbraw/zinc/29/34/01/350293401.db2.gz UJLZZVODXMXGQJ-KBPBESRZSA-N 0 3 294.395 2.556 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/nfs/dbraw/zinc/43/77/80/350437780.db2.gz BRAJJOVIBAYBRG-QGZVFWFLSA-N 0 3 270.376 2.869 20 30 CFEDHN Cc1ccc(CN(CCO)CCc2ccccc2)cc1C#N ZINC000599292193 350407186 /nfs/dbraw/zinc/40/71/86/350407186.db2.gz GBPRKBFKUPWIPI-UHFFFAOYSA-N 0 3 294.398 2.904 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599293143 350408089 /nfs/dbraw/zinc/40/80/89/350408089.db2.gz OMFGLVZVMBFHSX-OAHLLOKOSA-N 0 3 258.365 2.725 20 30 CFEDHN Cc1ccc(CN2CCCOC(C)(C)C2)cc1C#N ZINC000599295161 350408428 /nfs/dbraw/zinc/40/84/28/350408428.db2.gz YIBZGVACPXEWFY-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1C#N ZINC000599303923 350410361 /nfs/dbraw/zinc/41/03/61/350410361.db2.gz HUZSIGSSUQDERG-INIZCTEOSA-N 0 3 294.402 2.665 20 30 CFEDHN Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1C#N ZINC000599307632 350411282 /nfs/dbraw/zinc/41/12/82/350411282.db2.gz WAXJRBRMQKCZDI-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1ccc(CN(C)CCc2nccs2)cc1C#N ZINC000599336777 350417056 /nfs/dbraw/zinc/41/70/56/350417056.db2.gz QRHLHMWIYZPFHM-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN C=CC[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599526155 350450614 /nfs/dbraw/zinc/45/06/14/350450614.db2.gz GHDQOZRSIBYPHF-CYBMUJFWSA-N 0 3 276.336 2.872 20 30 CFEDHN CC(C)[C@@H]1CN(CCC#N)CCN1Cc1ccccc1 ZINC000599548609 350454355 /nfs/dbraw/zinc/45/43/55/350454355.db2.gz HYPQJZFIZSAFMX-KRWDZBQOSA-N 0 3 271.408 2.742 20 30 CFEDHN C=C(C)CN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599590443 350461665 /nfs/dbraw/zinc/46/16/65/350461665.db2.gz XGXHTGMSKAGDBW-CHWSQXEVSA-N 0 3 253.386 2.862 20 30 CFEDHN Cc1ccc(CN2CCCCC[C@H]2CO)cc1C#N ZINC000599453214 350440548 /nfs/dbraw/zinc/44/05/48/350440548.db2.gz NDFZPEPYPYTRSV-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000599650529 350473440 /nfs/dbraw/zinc/47/34/40/350473440.db2.gz HDJYLEKAXOVHFL-BRWVUGGUSA-N 0 3 298.386 2.722 20 30 CFEDHN COC(=O)C1C[C@@H](C)N(Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000599692437 350484396 /nfs/dbraw/zinc/48/43/96/350484396.db2.gz WVDAGNIDKJFVIU-CHWSQXEVSA-N 0 3 286.375 2.720 20 30 CFEDHN N#CCCCCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000600229505 350544442 /nfs/dbraw/zinc/54/44/42/350544442.db2.gz LBCHHSUFSYRSKE-HNNXBMFYSA-N 0 3 277.412 2.594 20 30 CFEDHN CC(C)(C)c1ccncc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600734239 350603627 /nfs/dbraw/zinc/60/36/27/350603627.db2.gz BXPQVNGNTWNVSB-CQSZACIVSA-N 0 3 287.407 2.523 20 30 CFEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCSc3ccccc32)CC1 ZINC000600714135 350599870 /nfs/dbraw/zinc/59/98/70/350599870.db2.gz JLLDKFQEBJOIPM-TZMCWYRMSA-N 0 3 288.416 2.868 20 30 CFEDHN CCCOc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600718285 350600834 /nfs/dbraw/zinc/60/08/34/350600834.db2.gz WTHUVQOPGIYMOR-HNNXBMFYSA-N 0 3 288.391 2.620 20 30 CFEDHN N#Cc1ccc(-c2ccc([C@@H]3CNCCO3)cc2)s1 ZINC000600776832 350609095 /nfs/dbraw/zinc/60/90/95/350609095.db2.gz QHTMRGCEUJWEHZ-AWEZNQCLSA-N 0 3 270.357 2.948 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)/C=C/c1cccc(C#N)c1 ZINC000110991955 186340224 /nfs/dbraw/zinc/34/02/24/186340224.db2.gz KLKPYNTXRXVWCW-OAGJVSPASA-N 0 3 297.402 2.562 20 30 CFEDHN COc1cc(F)cc(OC)c1CNCCCCC#N ZINC000601105616 350669264 /nfs/dbraw/zinc/66/92/64/350669264.db2.gz JCTYVIMULNHWMD-UHFFFAOYSA-N 0 3 266.316 2.626 20 30 CFEDHN CN1CC[C@H]2CCN(c3ncc(C#N)c4ccsc43)[C@H]2C1 ZINC000601139527 350679959 /nfs/dbraw/zinc/67/99/59/350679959.db2.gz DVUIZKJFICAORW-FZMZJTMJSA-N 0 3 298.415 2.698 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ncc(C#N)c4ccsc43)[C@H]2C1 ZINC000601139529 350679980 /nfs/dbraw/zinc/67/99/80/350679980.db2.gz DVUIZKJFICAORW-RISCZKNCSA-N 0 3 298.415 2.698 20 30 CFEDHN CC1(C)CCC[C@](O)(CNCc2ccc(C#N)o2)CC1 ZINC000601141089 350680762 /nfs/dbraw/zinc/68/07/62/350680762.db2.gz HXCMWUFXRSQMJV-MRXNPFEDSA-N 0 3 276.380 2.962 20 30 CFEDHN COc1ccc2c(c1)CC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000601282883 350717145 /nfs/dbraw/zinc/71/71/45/350717145.db2.gz HTHZMRULQIBUCL-GHJWDPDVSA-N 0 3 256.349 2.964 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cccc3c2CCOC3)C1 ZINC000601304009 350720218 /nfs/dbraw/zinc/72/02/18/350720218.db2.gz KDVSEEPQEGBLDB-SWLSCSKDSA-N 0 3 256.349 2.541 20 30 CFEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000601321333 350723669 /nfs/dbraw/zinc/72/36/69/350723669.db2.gz PKSPMAVTESMNHB-KMUNFCNLSA-N 0 3 262.328 2.651 20 30 CFEDHN CCN1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000111142704 186358410 /nfs/dbraw/zinc/35/84/10/186358410.db2.gz BZZWDCOANLHQQI-UHFFFAOYSA-N 0 3 265.307 2.733 20 30 CFEDHN CC[C@H](C(=O)Nc1cc(F)cc(C#N)c1)N(CC)CC ZINC000601715345 350767706 /nfs/dbraw/zinc/76/77/06/350767706.db2.gz LGQBURLIZPQQIX-CQSZACIVSA-N 0 3 277.343 2.756 20 30 CFEDHN CC(C)[C@](C)(Cc1ccccc1)NC(=O)C(C)C#N ZINC000601836459 350789607 /nfs/dbraw/zinc/78/96/07/350789607.db2.gz NSNCQSIFYVRSFE-CJNGLKHVSA-N 0 3 258.365 2.920 20 30 CFEDHN C[C@H](CC1CCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601869810 350795514 /nfs/dbraw/zinc/79/55/14/350795514.db2.gz KZLNDTXFOMMWBZ-DYVFJYSZSA-N 0 3 295.386 2.935 20 30 CFEDHN CCC(C)(C)CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000601931838 350806327 /nfs/dbraw/zinc/80/63/27/350806327.db2.gz DYXFNTIQTUWLMN-CQSZACIVSA-N 0 3 273.380 2.501 20 30 CFEDHN C[C@@]1(CNCc2cccc(F)c2C#N)CCO[C@H]1C1CC1 ZINC000602017827 350832919 /nfs/dbraw/zinc/83/29/19/350832919.db2.gz RGOXAOGWIIRJIH-IRXDYDNUSA-N 0 3 288.366 2.992 20 30 CFEDHN CC[C@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602021394 350834078 /nfs/dbraw/zinc/83/40/78/350834078.db2.gz TUWKFHNNJDBBEV-OLZOCXBDSA-N 0 3 262.328 2.745 20 30 CFEDHN CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)CNC2 ZINC000602497324 350905771 /nfs/dbraw/zinc/90/57/71/350905771.db2.gz JLBXUBMTNQVTGP-UHFFFAOYSA-N 0 3 257.337 2.558 20 30 CFEDHN N#Cc1cccc(CNCCCNc2ccccc2)n1 ZINC000602500226 350906593 /nfs/dbraw/zinc/90/65/93/350906593.db2.gz PQDVZNIILLXFSD-UHFFFAOYSA-N 0 3 266.348 2.545 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1cccc(C#N)n1)C(C)C ZINC000602510008 350909769 /nfs/dbraw/zinc/90/97/69/350909769.db2.gz ICIJFDWXKHEHBI-GOSISDBHSA-N 0 3 298.434 2.741 20 30 CFEDHN Cc1nc(CNC[C@@H](C)CCC#N)nc2ccccc12 ZINC000602528451 350915404 /nfs/dbraw/zinc/91/54/04/350915404.db2.gz MXQAVLHPLNFWOM-LBPRGKRZSA-N 0 3 268.364 2.968 20 30 CFEDHN CCC(F)(F)C(C)(C)CNC(=O)[C@H](N)CCCCC#N ZINC000602547351 350919905 /nfs/dbraw/zinc/91/99/05/350919905.db2.gz SVPRSGYGAHWXFH-LLVKDONJSA-N 0 3 289.370 2.585 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)Oc1ccccc1 ZINC000602555239 350922621 /nfs/dbraw/zinc/92/26/21/350922621.db2.gz POQCCKPVYJXJRQ-ZDUSSCGKSA-N 0 3 267.332 2.510 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1cc(C)ccc1C ZINC000602557428 350923818 /nfs/dbraw/zinc/92/38/18/350923818.db2.gz JZYNNHCQBGAQOD-CVEARBPZSA-N 0 3 287.407 2.892 20 30 CFEDHN COC[C@@H](NC[C@H](C)CCC#N)c1ccc(C)o1 ZINC000602563695 350926085 /nfs/dbraw/zinc/92/60/85/350926085.db2.gz GOOHOKWJDWXCRI-DGCLKSJQSA-N 0 3 250.342 2.805 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@H](N)CCCCC#N ZINC000602586264 350936117 /nfs/dbraw/zinc/93/61/17/350936117.db2.gz OOPXZELOBRLVBF-CYBMUJFWSA-N 0 3 265.401 2.506 20 30 CFEDHN CSCCc1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000602588994 350937256 /nfs/dbraw/zinc/93/72/56/350937256.db2.gz XAGVSLOGLMAFDJ-ZDUSSCGKSA-N 0 3 291.420 2.552 20 30 CFEDHN COc1cccc(N2CCN(C[C@H](C)CCC#N)CC2)c1 ZINC000602434664 350879837 /nfs/dbraw/zinc/87/98/37/350879837.db2.gz PTQGAAPOSVMQBA-OAHLLOKOSA-N 0 3 287.407 2.757 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(Cc2cccs2)CC1 ZINC000602433904 350880136 /nfs/dbraw/zinc/88/01/36/350880136.db2.gz UAMBBAJHXUZYIZ-AWEZNQCLSA-N 0 3 277.437 2.806 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000602436627 350880972 /nfs/dbraw/zinc/88/09/72/350880972.db2.gz YINQLOKDRWJYDK-INIZCTEOSA-N 0 3 296.418 2.616 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(Cc2ccsc2)CC1 ZINC000602437792 350882907 /nfs/dbraw/zinc/88/29/07/350882907.db2.gz XZGKTBFUFYWSMS-AWEZNQCLSA-N 0 3 277.437 2.806 20 30 CFEDHN CO[C@@](C)(CN(C)Cc1cccc(C#N)c1)C1CC1 ZINC000602442445 350885137 /nfs/dbraw/zinc/88/51/37/350885137.db2.gz YTFWKTSVGOYVIK-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN CC(C)(C)CCN1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602449902 350888195 /nfs/dbraw/zinc/88/81/95/350888195.db2.gz UBQQGVIARQGGEK-UHFFFAOYSA-N 0 3 286.423 2.507 20 30 CFEDHN COc1ccccc1[C@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602471916 350894434 /nfs/dbraw/zinc/89/44/34/350894434.db2.gz MSUDQYOFHIVVBL-AWEZNQCLSA-N 0 3 293.370 2.951 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000602642072 350958093 /nfs/dbraw/zinc/95/80/93/350958093.db2.gz HPZSEXOUGJAUBE-WCVJEAGWSA-N 0 3 280.412 2.585 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000602642071 350958542 /nfs/dbraw/zinc/95/85/42/350958542.db2.gz HPZSEXOUGJAUBE-UGUYLWEFSA-N 0 3 280.412 2.585 20 30 CFEDHN C[C@@H](CCC#N)CNCc1ccn(Cc2ccccc2)n1 ZINC000602650231 350960993 /nfs/dbraw/zinc/96/09/93/350960993.db2.gz DEGBUSNLDXFZMJ-HNNXBMFYSA-N 0 3 282.391 2.961 20 30 CFEDHN COc1cccc(C2(CNCc3cccc(C#N)n3)CC2)c1 ZINC000602671127 350970805 /nfs/dbraw/zinc/97/08/05/350970805.db2.gz QKFHONGFHUWSCU-UHFFFAOYSA-N 0 3 293.370 2.783 20 30 CFEDHN C[C@H](CCC#N)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000602673733 350971960 /nfs/dbraw/zinc/97/19/60/350971960.db2.gz BRKIXNJLAGAYHG-YPMHNXCESA-N 0 3 266.776 2.723 20 30 CFEDHN C=CC(C)(C)CNCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602674151 350972021 /nfs/dbraw/zinc/97/20/21/350972021.db2.gz FNKICNXKDBSZEB-UHFFFAOYSA-N 0 3 293.411 2.677 20 30 CFEDHN C=CC(C)(C)CNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602675765 350973048 /nfs/dbraw/zinc/97/30/48/350973048.db2.gz NATNQYLZUNJAHW-UHFFFAOYSA-N 0 3 293.411 2.677 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000602679312 350974700 /nfs/dbraw/zinc/97/47/00/350974700.db2.gz CRUCTLSKEBTVLW-STQMWFEESA-N 0 3 291.361 2.742 20 30 CFEDHN C[C@H](CCC#N)CN[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000602690694 350980806 /nfs/dbraw/zinc/98/08/06/350980806.db2.gz MIRJYSZEQNTFSQ-SCDSUCTJSA-N 0 3 294.420 2.851 20 30 CFEDHN CC(C)n1cc(C(C)(C)NC[C@@H](C)CCC#N)nn1 ZINC000602692847 350981487 /nfs/dbraw/zinc/98/14/87/350981487.db2.gz CLKSVCBLNQYDFG-LBPRGKRZSA-N 0 3 263.389 2.624 20 30 CFEDHN COc1cc(C)c([C@H](C)N2CC[C@@](O)(CC#N)C2)cc1C ZINC000602696901 350984979 /nfs/dbraw/zinc/98/49/79/350984979.db2.gz LRHGFTMFYAXXHK-YOEHRIQHSA-N 0 3 288.391 2.724 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CC23CCSCC3)n1 ZINC000602700224 350985930 /nfs/dbraw/zinc/98/59/30/350985930.db2.gz UAAXUCZWVNIIJI-LBPRGKRZSA-N 0 3 273.405 2.576 20 30 CFEDHN CCC[C@H](CN1CCc2c(CC#N)cccc2C1)OC ZINC000602728626 351003331 /nfs/dbraw/zinc/00/33/31/351003331.db2.gz CBHZXTPPMNNCKN-MRXNPFEDSA-N 0 3 272.392 2.926 20 30 CFEDHN CO[C@](C)(CN1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000602731300 351003980 /nfs/dbraw/zinc/00/39/80/351003980.db2.gz VHWLNXACZSFALA-GOSISDBHSA-N 0 3 284.403 2.926 20 30 CFEDHN CCn1nc(C)c(CN(C)C[C@@H](C)CCC#N)c1C ZINC000602730298 351004188 /nfs/dbraw/zinc/00/41/88/351004188.db2.gz ZVLANOPWKWWTPZ-LBPRGKRZSA-N 0 3 262.401 2.892 20 30 CFEDHN C[C@@H](CN(C)Cc1cccc(C#N)n1)c1nccs1 ZINC000602607757 350943250 /nfs/dbraw/zinc/94/32/50/350943250.db2.gz KYHYFCZVCUCXBE-NSHDSACASA-N 0 3 272.377 2.645 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)n1 ZINC000602617916 350947939 /nfs/dbraw/zinc/94/79/39/350947939.db2.gz PTUNABXBBBEMGX-CRAIPNDOSA-N 0 3 293.370 2.963 20 30 CFEDHN C=CCCCCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602620110 350949004 /nfs/dbraw/zinc/94/90/04/350949004.db2.gz USCZMKHFVOXASC-UHFFFAOYSA-N 0 3 293.411 2.821 20 30 CFEDHN COCCN(Cc1cccc(C#N)n1)[C@H]1CC[C@@H](C)C1 ZINC000602631121 350953579 /nfs/dbraw/zinc/95/35/79/350953579.db2.gz OYVKTWWRZLOCHM-CJNGLKHVSA-N 0 3 273.380 2.590 20 30 CFEDHN Cc1ccnc(-c2nnc([C@H](C)[NH2+]C[C@@H](C)CCC#N)[n-]2)c1 ZINC000602638748 350957597 /nfs/dbraw/zinc/95/75/97/350957597.db2.gz HRASSCHCYJQHGY-STQMWFEESA-N 0 3 298.394 2.766 20 30 CFEDHN CCCCN(C)C(=O)C1CCN(CC2(CC#N)CC2)CC1 ZINC000602767606 351018494 /nfs/dbraw/zinc/01/84/94/351018494.db2.gz VCAGXAHZAVOTKA-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC1(CC#N)CC1 ZINC000602768579 351019556 /nfs/dbraw/zinc/01/95/56/351019556.db2.gz QXASMUUFUOZGQY-AWEZNQCLSA-N 0 3 295.390 2.954 20 30 CFEDHN C[C@@H](Cc1ccc(O)cc1)N(C)CC1(CC#N)CC1 ZINC000602789713 351026327 /nfs/dbraw/zinc/02/63/27/351026327.db2.gz ZBTYIFSZLBOCPC-ZDUSSCGKSA-N 0 3 258.365 2.949 20 30 CFEDHN N#CCC1(CN(Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000602799656 351030351 /nfs/dbraw/zinc/03/03/51/351030351.db2.gz KOLFNCQKKUQWAZ-KRWDZBQOSA-N 0 3 284.403 2.953 20 30 CFEDHN CC[C@@H](CO)N(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602806341 351032504 /nfs/dbraw/zinc/03/25/04/351032504.db2.gz RQQVZJAKBUFCNG-INIZCTEOSA-N 0 3 272.392 2.953 20 30 CFEDHN N#CCC1(CN2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000602808007 351034142 /nfs/dbraw/zinc/03/41/42/351034142.db2.gz YBIPKIFMJPLCHS-HNNXBMFYSA-N 0 3 274.339 2.973 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602812411 351034860 /nfs/dbraw/zinc/03/48/60/351034860.db2.gz WBXRIGIVIZSLSG-ZDUSSCGKSA-N 0 3 278.396 2.734 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N(C)CC1(CC#N)CC1 ZINC000602818413 351036775 /nfs/dbraw/zinc/03/67/75/351036775.db2.gz YERBBOUFIUKNAZ-MRXNPFEDSA-N 0 3 272.392 2.870 20 30 CFEDHN N#CCC1(CN2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000602833341 351039845 /nfs/dbraw/zinc/03/98/45/351039845.db2.gz OWPQTADXFJBNRQ-MRXNPFEDSA-N 0 3 281.403 2.817 20 30 CFEDHN C[C@H]1CN(C[C@@H]2C[C@H]2c2ccccc2)C[C@H](C)N1CC#N ZINC000602849229 351044062 /nfs/dbraw/zinc/04/40/62/351044062.db2.gz KFUAZRFCLQSBRU-LAQRGFTBSA-N 0 3 283.419 2.708 20 30 CFEDHN C[C@@H]1CN(Cc2cccc3ncccc23)C[C@@H](C)N1CC#N ZINC000602852091 351045361 /nfs/dbraw/zinc/04/53/61/351045361.db2.gz ZUIPIBZVMPXSDA-HUUCEWRRSA-N 0 3 294.402 2.653 20 30 CFEDHN C[C@@H]1CN([C@H]2CCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602853564 351045978 /nfs/dbraw/zinc/04/59/78/351045978.db2.gz KIZVEGAYYOYCOT-CPUCHLNUSA-N 0 3 269.392 2.592 20 30 CFEDHN C[C@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602858517 351048414 /nfs/dbraw/zinc/04/84/14/351048414.db2.gz SMKJHZMXSWOFLT-OAGGEKHMSA-N 0 3 271.408 2.708 20 30 CFEDHN Cc1ccccc1CCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602865446 351052074 /nfs/dbraw/zinc/05/20/74/351052074.db2.gz SXDQBHYPSLGURA-IAGOWNOFSA-N 0 3 285.435 2.846 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2cccc3c2CCOC3)C1 ZINC000602884717 351058354 /nfs/dbraw/zinc/05/83/54/351058354.db2.gz SEHHEKIQGYYEDT-CQSZACIVSA-N 0 3 270.376 2.885 20 30 CFEDHN N#Cc1ccccc1NC1CCN(CCCF)CC1 ZINC000602893029 351059501 /nfs/dbraw/zinc/05/95/01/351059501.db2.gz AKADCKCFCQBPCQ-UHFFFAOYSA-N 0 3 261.344 2.794 20 30 CFEDHN CSCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602897769 351060505 /nfs/dbraw/zinc/06/05/05/351060505.db2.gz ZUFVBEXMYOBATK-UHFFFAOYSA-N 0 3 275.421 2.798 20 30 CFEDHN CC(C)COCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908923 351062953 /nfs/dbraw/zinc/06/29/53/351062953.db2.gz WYAFXESCBWKUAY-UHFFFAOYSA-N 0 3 287.407 2.805 20 30 CFEDHN CC1(C)CCC[C@H](CN2CCN(CCC#N)CC2)C1 ZINC000602748672 351012686 /nfs/dbraw/zinc/01/26/86/351012686.db2.gz PRFPBXXWAZOTMN-HNNXBMFYSA-N 0 3 263.429 2.734 20 30 CFEDHN CC(C)C1CCC(CN2CCN(CCC#N)CC2)CC1 ZINC000602747593 351012917 /nfs/dbraw/zinc/01/29/17/351012917.db2.gz CUALEOWYMCKOJQ-UHFFFAOYSA-N 0 3 277.456 2.980 20 30 CFEDHN CCOC(=O)CCCCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602978664 351079760 /nfs/dbraw/zinc/07/97/60/351079760.db2.gz UMTIRFZYMNUDQN-UONOGXRCSA-N 0 3 266.385 2.734 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602982478 351083250 /nfs/dbraw/zinc/08/32/50/351083250.db2.gz TUXGETZHUKXHIU-KGLIPLIRSA-N 0 3 280.412 2.980 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000602998365 351089339 /nfs/dbraw/zinc/08/93/39/351089339.db2.gz KQCSBQWRSWGLPW-MELADBBJSA-N 0 3 278.396 2.732 20 30 CFEDHN Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1C#N ZINC000602997877 351089396 /nfs/dbraw/zinc/08/93/96/351089396.db2.gz SLEPMVDXTYBQDR-KURKYZTESA-N 0 3 284.403 2.992 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H](C)C(C)(C)C ZINC000603056905 351096960 /nfs/dbraw/zinc/09/69/60/351096960.db2.gz XCKXPFSYCRWAHG-CZUORRHYSA-N 0 3 281.444 2.655 20 30 CFEDHN COCc1cc(C#N)ccc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000603310802 351136706 /nfs/dbraw/zinc/13/67/06/351136706.db2.gz QTDPLATVJBGEJR-WFASDCNBSA-N 0 3 285.391 2.742 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000609920898 351528153 /nfs/dbraw/zinc/52/81/53/351528153.db2.gz NMHUUBWEOYFAOL-SECBINFHSA-N 0 3 275.739 2.640 20 30 CFEDHN COc1cccc(CN(CC(C)C)C(=O)C(C)C#N)c1 ZINC000609921960 351528581 /nfs/dbraw/zinc/52/85/81/351528581.db2.gz AXHFGVXLHPWRQK-ZDUSSCGKSA-N 0 3 274.364 2.839 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000610001831 351530566 /nfs/dbraw/zinc/53/05/66/351530566.db2.gz CMWHWOPCEAJWDU-QRTARXTBSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000610150310 351535509 /nfs/dbraw/zinc/53/55/09/351535509.db2.gz JCHVEFVITAIZFI-PSASIEDQSA-N 0 3 256.227 2.566 20 30 CFEDHN CC[C@H](NC1CCN(CC#N)CC1)c1cc(F)ccc1F ZINC000610812672 351611748 /nfs/dbraw/zinc/61/17/48/351611748.db2.gz HUDAALRFDBAXBL-INIZCTEOSA-N 0 3 293.361 2.993 20 30 CFEDHN CC[C@@H](c1ccccc1)N1CCN(CCC#N)CC1 ZINC000610336884 351554740 /nfs/dbraw/zinc/55/47/40/351554740.db2.gz YMIWHENDBQXTBY-INIZCTEOSA-N 0 3 257.381 2.669 20 30 CFEDHN N#Cc1ccc([C@H](N[C@@H]2CC[C@@H]3CCC[C@H]3C2)C(N)=O)cc1 ZINC000610342663 351555914 /nfs/dbraw/zinc/55/59/14/351555914.db2.gz VMOAWPDSLGGPEE-LLLHUVSDSA-N 0 3 297.402 2.643 20 30 CFEDHN Cn1cc(CN2CC3(CCC3)[C@H]2C2CC2)cc1C#N ZINC000291474806 198031041 /nfs/dbraw/zinc/03/10/41/198031041.db2.gz FHEHXRBAYATSBY-OAHLLOKOSA-N 0 3 255.365 2.661 20 30 CFEDHN Cn1cc(CN2CC3(CCC3)[C@@H]2C2CC2)cc1C#N ZINC000291474804 198031746 /nfs/dbraw/zinc/03/17/46/198031746.db2.gz FHEHXRBAYATSBY-HNNXBMFYSA-N 0 3 255.365 2.661 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)CC1CCN(C)CC1 ZINC000291579429 198041792 /nfs/dbraw/zinc/04/17/92/198041792.db2.gz UPICXRYWFPTWQN-UHFFFAOYSA-N 0 3 271.364 2.537 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000610946920 351623114 /nfs/dbraw/zinc/62/31/14/351623114.db2.gz ALZJACNOKLEHIG-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN CN(Cc1ccnc(C#N)c1)C1Cc2ccccc2C1 ZINC000610991332 351629030 /nfs/dbraw/zinc/62/90/30/351629030.db2.gz GBSPSTOBHDLFFF-UHFFFAOYSA-N 0 3 263.344 2.552 20 30 CFEDHN COc1ccc(CN2CCC[C@@H]2C2CC2)cc1C#N ZINC000610992419 351630263 /nfs/dbraw/zinc/63/02/63/351630263.db2.gz CELMYCUOKPWAKU-OAHLLOKOSA-N 0 3 256.349 2.941 20 30 CFEDHN COc1ccc(CN(C)CCOC(C)(C)C)cc1C#N ZINC000610993958 351631574 /nfs/dbraw/zinc/63/15/74/351631574.db2.gz JPMRLLYZUOEMLF-UHFFFAOYSA-N 0 3 276.380 2.814 20 30 CFEDHN Cc1ccccc1CN1CCCN(CC2(C#N)CC2)CC1 ZINC000611429004 351688034 /nfs/dbraw/zinc/68/80/34/351688034.db2.gz XGCUFEUODPHZEL-UHFFFAOYSA-N 0 3 283.419 2.807 20 30 CFEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000611551555 351707572 /nfs/dbraw/zinc/70/75/72/351707572.db2.gz RETAAULLWLBZAR-KRWDZBQOSA-N 0 3 287.382 2.951 20 30 CFEDHN COc1ccc(COCCN2CCC(C)(C#N)CC2)cc1 ZINC000611553594 351707699 /nfs/dbraw/zinc/70/76/99/351707699.db2.gz PPCPIUCZQUAWKB-UHFFFAOYSA-N 0 3 288.391 2.837 20 30 CFEDHN C[C@H]1CCN(Cc2ccnc(C#N)c2)CC12CCC2 ZINC000611303450 351667263 /nfs/dbraw/zinc/66/72/63/351667263.db2.gz QFXFZLQPNPIECF-ZDUSSCGKSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@@H]1CCN(Cc2ccnc(C#N)c2)CC12CCC2 ZINC000611303449 351667406 /nfs/dbraw/zinc/66/74/06/351667406.db2.gz QFXFZLQPNPIECF-CYBMUJFWSA-N 0 3 255.365 2.965 20 30 CFEDHN Cc1ccncc1[C@H](C)NCCOc1ccccc1C#N ZINC000611940146 351753413 /nfs/dbraw/zinc/75/34/13/351753413.db2.gz VDQUVZUIFONCMI-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN CCN1CCC[C@H](Nc2ncc(Cl)c(C)c2C#N)C1 ZINC000612072216 351769628 /nfs/dbraw/zinc/76/96/28/351769628.db2.gz JPKWYQJYLXQHBM-NSHDSACASA-N 0 3 278.787 2.811 20 30 CFEDHN COc1ccc(CN(C)CC(C)(C)CCC#N)cn1 ZINC000612586880 351839959 /nfs/dbraw/zinc/83/99/59/351839959.db2.gz XYMVULSEQWTXBH-UHFFFAOYSA-N 0 3 261.369 2.852 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1C[C@H](C)O ZINC000123833024 187111259 /nfs/dbraw/zinc/11/12/59/187111259.db2.gz CVRMRDSOGOHDML-BBRMVZONSA-N 0 3 288.391 2.692 20 30 CFEDHN CCc1noc(C2CCC(NCC(C)(C)C#N)CC2)n1 ZINC000613145945 351904368 /nfs/dbraw/zinc/90/43/68/351904368.db2.gz UFSNHRRVBGMXLH-UHFFFAOYSA-N 0 3 276.384 2.798 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000613389794 351949259 /nfs/dbraw/zinc/94/92/59/351949259.db2.gz RADZERBBUJNACC-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1cccc(C#N)c1F ZINC000613390721 351949515 /nfs/dbraw/zinc/94/95/15/351949515.db2.gz YFKLRHXUVXZADA-GUYCJALGSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cccc(C#N)c1F ZINC000613390719 351949782 /nfs/dbraw/zinc/94/97/82/351949782.db2.gz YFKLRHXUVXZADA-CXAGYDPISA-N 0 3 298.361 2.952 20 30 CFEDHN CN1CCC(Nc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411529 351953869 /nfs/dbraw/zinc/95/38/69/351953869.db2.gz ZYKUWQGMVWQADJ-UHFFFAOYSA-N 0 3 272.396 2.757 20 30 CFEDHN CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000613418517 351954986 /nfs/dbraw/zinc/95/49/86/351954986.db2.gz XVMUYUWCMZPNSC-OAHLLOKOSA-N 0 3 298.434 2.925 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)C1CC1 ZINC000271452645 191145046 /nfs/dbraw/zinc/14/50/46/191145046.db2.gz OMWVZZBIFSEJRB-UHFFFAOYSA-N 0 3 286.375 2.868 20 30 CFEDHN C=CCCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613657694 351993185 /nfs/dbraw/zinc/99/31/85/351993185.db2.gz BAQWISNHUKOMMX-UHFFFAOYSA-N 0 3 292.335 2.812 20 30 CFEDHN CCOCCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176895 352057205 /nfs/dbraw/zinc/05/72/05/352057205.db2.gz SOXKYVFRNOIZDD-UHFFFAOYSA-N 0 3 260.381 2.956 20 30 CFEDHN CCN1CCN([C@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000614963195 352137091 /nfs/dbraw/zinc/13/70/91/352137091.db2.gz PWLPMLVKYNAJJZ-ZIAGYGMSSA-N 0 3 257.381 2.645 20 30 CFEDHN C=CCN(C(=O)Nc1cccc(CN(C)C)c1)C1CC1 ZINC000271465073 191153855 /nfs/dbraw/zinc/15/38/55/191153855.db2.gz RNGVKVYRBAOSRB-UHFFFAOYSA-N 0 3 273.380 2.931 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)o1 ZINC000614396728 352088891 /nfs/dbraw/zinc/08/88/91/352088891.db2.gz JPSDMXCMYKNRAL-MRXNPFEDSA-N 0 3 296.374 2.938 20 30 CFEDHN C=CCN(C(=O)C1CCN(C)CC1)c1ccccc1 ZINC000615001488 352140363 /nfs/dbraw/zinc/14/03/63/352140363.db2.gz GPDSSMIEKRMCTM-UHFFFAOYSA-N 0 3 258.365 2.547 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOCC(F)F ZINC000615967269 352268486 /nfs/dbraw/zinc/26/84/86/352268486.db2.gz YQIAUOXHUUUZLH-AWEZNQCLSA-N 0 3 280.318 2.807 20 30 CFEDHN Cc1ccccc1C[C@H](CO)NCc1ccc(C#N)cc1 ZINC000188921280 539841504 /nfs/dbraw/zinc/84/15/04/539841504.db2.gz ZIMPLFGACQJLQI-GOSISDBHSA-N 0 3 280.371 2.560 20 30 CFEDHN C=CCSCCN[C@@H](C)c1cnc(C)nc1C ZINC000271540152 191199106 /nfs/dbraw/zinc/19/91/06/191199106.db2.gz YGZFUNOVEZLLLF-JTQLQIEISA-N 0 3 251.399 2.663 20 30 CFEDHN N#Cc1ccc(CN(CCO)CCc2ccccc2)cc1F ZINC000616755208 352426610 /nfs/dbraw/zinc/42/66/10/352426610.db2.gz SOCHAZORVVBVEF-UHFFFAOYSA-N 0 3 298.361 2.734 20 30 CFEDHN COC(=O)CC1(NCC#Cc2ccccc2)CCCCC1 ZINC000616767145 352427957 /nfs/dbraw/zinc/42/79/57/352427957.db2.gz VZSQKHCJUBBOTJ-UHFFFAOYSA-N 0 3 285.387 2.894 20 30 CFEDHN CCn1ccc(CN(C)CCOc2ccc(C#N)cc2)c1 ZINC000616786200 352428942 /nfs/dbraw/zinc/42/89/42/352428942.db2.gz OLOROFWKDXRIIU-UHFFFAOYSA-N 0 3 283.375 2.890 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000617039187 352474396 /nfs/dbraw/zinc/47/43/96/352474396.db2.gz DLVLPQHTLUUKPH-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN COc1nc(C)cc(C)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000618568698 352812054 /nfs/dbraw/zinc/81/20/54/352812054.db2.gz YFQUXVGDVRQJNV-KBPBESRZSA-N 0 3 273.380 2.879 20 30 CFEDHN Cc1ccccc1[C@H](CO)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000618570115 352812936 /nfs/dbraw/zinc/81/29/36/352812936.db2.gz NHCZQJKGWKEURL-FMKPAKJESA-N 0 3 258.365 2.700 20 30 CFEDHN CSc1cc(CN[C@@H]2CCC[C@H](C#N)C2)ccn1 ZINC000618571455 352813965 /nfs/dbraw/zinc/81/39/65/352813965.db2.gz RLBHPIVFVLECJQ-WCQYABFASA-N 0 3 261.394 2.975 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000618590814 352824568 /nfs/dbraw/zinc/82/45/68/352824568.db2.gz ZSYLRQRFUWEPJE-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CCOC(=O)CCN(Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000618593898 352827332 /nfs/dbraw/zinc/82/73/32/352827332.db2.gz NVEGOLBZROIILW-UHFFFAOYSA-N 0 3 286.375 2.784 20 30 CFEDHN Cn1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742200 352876097 /nfs/dbraw/zinc/87/60/97/352876097.db2.gz KXAMHDRJZWSTOA-MRXNPFEDSA-N 0 3 251.333 2.674 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2ccccn12 ZINC000618742609 352876231 /nfs/dbraw/zinc/87/62/31/352876231.db2.gz MXLPNEAQUFIQDJ-KRWDZBQOSA-N 0 3 288.354 2.983 20 30 CFEDHN C=C(C)[C@H](CC(=O)N[C@@H](C)CN1CCC(C)CC1)OCC ZINC000618986793 352928265 /nfs/dbraw/zinc/92/82/65/352928265.db2.gz IDTXXNHBLAPFSL-HOTGVXAUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618996302 352930984 /nfs/dbraw/zinc/93/09/84/352930984.db2.gz PKVDGHPVMBYGRU-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN Cc1cc([C@H](C)NC2CCN(CC#N)CC2)oc1C ZINC000619723740 353059762 /nfs/dbraw/zinc/05/97/62/353059762.db2.gz XOSHTFSNIHVMKF-LBPRGKRZSA-N 0 3 261.369 2.535 20 30 CFEDHN Cc1cc([C@@H](C)NC2CCN(CC#N)CC2)oc1C ZINC000619723736 353059834 /nfs/dbraw/zinc/05/98/34/353059834.db2.gz XOSHTFSNIHVMKF-GFCCVEGCSA-N 0 3 261.369 2.535 20 30 CFEDHN COC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000152466749 188021063 /nfs/dbraw/zinc/02/10/63/188021063.db2.gz NPYNJLGBIYNHSG-HNNXBMFYSA-N 0 3 261.340 2.536 20 30 CFEDHN C#CCSCCNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000152940124 188054237 /nfs/dbraw/zinc/05/42/37/188054237.db2.gz XHTXAPNHRXIOJA-UHFFFAOYSA-N 0 3 285.416 2.841 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000152950391 188055323 /nfs/dbraw/zinc/05/53/23/188055323.db2.gz AVZFNQKRMDUCAS-UKRRQHHQSA-N 0 3 283.375 2.546 20 30 CFEDHN Cc1nc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c(Cl)cc1C#N ZINC000292350384 198253860 /nfs/dbraw/zinc/25/38/60/198253860.db2.gz BWUORYJGXWTYEN-ZWNOBZJWSA-N 0 3 292.814 2.834 20 30 CFEDHN CSC[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000292482881 198305017 /nfs/dbraw/zinc/30/50/17/198305017.db2.gz SHNIDOMRFFVXLC-GDBMZVCRSA-N 0 3 290.432 2.667 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000156620968 188273313 /nfs/dbraw/zinc/27/33/13/188273313.db2.gz WLCBHUJWSPGHFK-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000157135384 188299458 /nfs/dbraw/zinc/29/94/58/188299458.db2.gz OEZQYKFIBJMZSQ-SJLPKXTDSA-N 0 3 285.387 2.746 20 30 CFEDHN CSC(C)(C)CNCc1ccc(C#N)cc1F ZINC000158112490 188357257 /nfs/dbraw/zinc/35/72/57/188357257.db2.gz PGNHPNWOTYFPJJ-UHFFFAOYSA-N 0 3 252.358 2.929 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCSC2)c(F)c1 ZINC000158113699 188357367 /nfs/dbraw/zinc/35/73/67/188357367.db2.gz AFUAUBYQIAMAGW-LBPRGKRZSA-N 0 3 250.342 2.683 20 30 CFEDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000157898742 188344832 /nfs/dbraw/zinc/34/48/32/188344832.db2.gz KPNGTOMUMPBRDN-LLVKDONJSA-N 0 3 289.379 2.827 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157895967 188344946 /nfs/dbraw/zinc/34/49/46/188344946.db2.gz NYLZBGUOTSVOSV-OCCSQVGLSA-N 0 3 279.428 2.924 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1 ZINC000621739010 353415706 /nfs/dbraw/zinc/41/57/06/353415706.db2.gz ZMMSIOHNIYQWAW-GOEBONIOSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000621738539 353415761 /nfs/dbraw/zinc/41/57/61/353415761.db2.gz JFDFHSLAZHMGFZ-GDBMZVCRSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCC[C@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623234882 353598225 /nfs/dbraw/zinc/59/82/25/353598225.db2.gz AORDKWBFQLRCJO-SWLSCSKDSA-N 0 3 258.365 2.644 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000623610496 353686125 /nfs/dbraw/zinc/68/61/25/353686125.db2.gz UOCGGPIAGJYIEE-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCOc1ccc(CNCCN(C)CC(F)F)cc1 ZINC000623830491 353733717 /nfs/dbraw/zinc/73/37/17/353733717.db2.gz PFDDICRAHSNXRI-UHFFFAOYSA-N 0 3 284.350 2.538 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000623735130 353714247 /nfs/dbraw/zinc/71/42/47/353714247.db2.gz LRLAOWVNJGQKOI-QWHCGFSZSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623898428 353753810 /nfs/dbraw/zinc/75/38/10/353753810.db2.gz JBMCMZBMEHAEGX-OAHLLOKOSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000623948992 353767786 /nfs/dbraw/zinc/76/77/86/353767786.db2.gz CSNQOYHLTZMUJG-ZBFHGGJFSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000624326781 353862922 /nfs/dbraw/zinc/86/29/22/353862922.db2.gz UUZSGLINHMCWNV-SOUVJXGZSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC[C@@H](NCCN1CCCC1=O)c1ccccc1 ZINC000271722522 191291468 /nfs/dbraw/zinc/29/14/68/191291468.db2.gz LZPKHVZRPMLLAD-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N2CCc3sccc3C2)C1 ZINC000625701073 354089036 /nfs/dbraw/zinc/08/90/36/354089036.db2.gz MTLVTAKGDQEZJC-CYBMUJFWSA-N 0 3 290.432 2.531 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000625894552 354135193 /nfs/dbraw/zinc/13/51/93/354135193.db2.gz PJMZGUIKCCJMMU-GFCCVEGCSA-N 0 3 259.353 2.575 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000625894553 354135293 /nfs/dbraw/zinc/13/52/93/354135293.db2.gz PJMZGUIKCCJMMU-LBPRGKRZSA-N 0 3 259.353 2.575 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626126233 354203411 /nfs/dbraw/zinc/20/34/11/354203411.db2.gz KEHVCQNYACWYFZ-UKRRQHHQSA-N 0 3 279.355 2.561 20 30 CFEDHN C#CC[C@@H](NCCN1CCCCC1)c1ccccc1 ZINC000271739545 191299739 /nfs/dbraw/zinc/29/97/39/191299739.db2.gz VAYZMNAPPXGOEI-QGZVFWFLSA-N 0 3 256.393 2.827 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCCCN1CC ZINC000628316772 354541640 /nfs/dbraw/zinc/54/16/40/354541640.db2.gz JGCJUCWTRUVTPP-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628965029 354709111 /nfs/dbraw/zinc/70/91/11/354709111.db2.gz STYMSLOEXMXJCK-DZGCQCFKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN1C(=O)c2ccccc2N[C@@]12CCN(C)C(C)(C)C2 ZINC000630387966 355067818 /nfs/dbraw/zinc/06/78/18/355067818.db2.gz YEAGUNGVUTWFSI-SFHVURJKSA-N 0 3 299.418 2.941 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000679576825 540088959 /nfs/dbraw/zinc/08/89/59/540088959.db2.gz VVTJOBSAYYXNNG-LBPRGKRZSA-N 0 3 266.360 2.745 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000630739417 355165135 /nfs/dbraw/zinc/16/51/35/355165135.db2.gz WQPFOTUDNZSUJJ-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000630810820 355184287 /nfs/dbraw/zinc/18/42/87/355184287.db2.gz INTCHXBVULMIPX-TZMCWYRMSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000668139196 540158671 /nfs/dbraw/zinc/15/86/71/540158671.db2.gz XNQVKCHOHSXNAP-RDJZCZTQSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1c(Br)cnn1C ZINC000631684965 355547266 /nfs/dbraw/zinc/54/72/66/355547266.db2.gz PDXWZXBZFJWVHA-ZJUUUORDSA-N 0 3 286.217 2.873 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2cc(OC)ccc21 ZINC000631600534 355509714 /nfs/dbraw/zinc/50/97/14/355509714.db2.gz AJRUNNOIZDSHAI-INIZCTEOSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](CC)c1cccc(OC)c1OC ZINC000631616682 355515791 /nfs/dbraw/zinc/51/57/91/355515791.db2.gz UWTZIHKAJRFOIO-JSGCOSHPSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2cc(OC)ccc21 ZINC000631630463 355521986 /nfs/dbraw/zinc/52/19/86/355521986.db2.gz DMIURBNZQWUQTN-XHSDSOJGSA-N 0 3 259.349 2.616 20 30 CFEDHN C=C1CC(C)(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000632285879 355682728 /nfs/dbraw/zinc/68/27/28/355682728.db2.gz DXGLHRSDJDSWHI-UHFFFAOYSA-N 0 3 299.418 2.771 20 30 CFEDHN N#Cc1ccc(CN2CCC(CCCO)CC2)s1 ZINC000272989687 192011337 /nfs/dbraw/zinc/01/13/37/192011337.db2.gz WQIDFMOYDQZBJC-UHFFFAOYSA-N 0 3 264.394 2.604 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)C2CC2)c(C(F)(F)F)c1 ZINC000353085417 283145369 /nfs/dbraw/zinc/14/53/69/283145369.db2.gz VEJISVOJRGTLRB-ZDUSSCGKSA-N 0 3 298.308 2.685 20 30 CFEDHN C=CCN(Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C1CC1 ZINC000273531062 192189308 /nfs/dbraw/zinc/18/93/08/192189308.db2.gz VDLFNCZCFNDIKV-ZDUSSCGKSA-N 0 3 289.375 2.777 20 30 CFEDHN C=CCN(Cc1ccc(-n2cncn2)c(C)c1)C1CC1 ZINC000273534395 192191177 /nfs/dbraw/zinc/19/11/77/192191177.db2.gz VUOKNCQJDHCHMD-UHFFFAOYSA-N 0 3 268.364 2.726 20 30 CFEDHN CN1CC[C@H]2CCN(c3ccc4cc(C#N)ccc4n3)[C@H]2C1 ZINC000361069255 283152200 /nfs/dbraw/zinc/15/22/00/283152200.db2.gz SIIRRUAGXXPPQL-YOEHRIQHSA-N 0 3 292.386 2.637 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001085170186 781934299 /nfs/dbraw/zinc/93/42/99/781934299.db2.gz VPJLKCBORKPFEV-JHJVBQTASA-N 0 3 284.831 2.802 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H](O)C(F)(F)F ZINC000360648145 283192469 /nfs/dbraw/zinc/19/24/69/283192469.db2.gz PGINXHPWKOOILO-ZIAGYGMSSA-N 0 3 298.308 2.839 20 30 CFEDHN N#Cc1cccc(Cl)c1N1CCN(c2ccncc2)CC1 ZINC000301356085 283207329 /nfs/dbraw/zinc/20/73/29/283207329.db2.gz MBNKCPOPIQSPJT-UHFFFAOYSA-N 0 3 298.777 2.933 20 30 CFEDHN N#Cc1ccccc1-c1ccc(CN2CC[C@H](O)C2)cc1 ZINC000152310037 283213741 /nfs/dbraw/zinc/21/37/41/283213741.db2.gz GITWYDAEZMXMTN-KRWDZBQOSA-N 0 3 278.355 2.792 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000294441643 199040820 /nfs/dbraw/zinc/04/08/20/199040820.db2.gz BASRHFBZBHXNPJ-AWEZNQCLSA-N 0 3 274.408 2.835 20 30 CFEDHN COc1ccc(CN2CC[C@H](SC)C2)cc1C#N ZINC000294461430 199049329 /nfs/dbraw/zinc/04/93/29/199049329.db2.gz UJCDDEUFYSKBNU-ZDUSSCGKSA-N 0 3 262.378 2.504 20 30 CFEDHN C=CCOCCN1CC[C@H](COc2ccccc2)C1 ZINC000294694862 199138407 /nfs/dbraw/zinc/13/84/07/199138407.db2.gz UDAXMOBOOZAIKC-HNNXBMFYSA-N 0 3 261.365 2.590 20 30 CFEDHN C=CCC(F)(F)C(=O)Nc1ccccc1CCN(C)C ZINC000294926581 199253372 /nfs/dbraw/zinc/25/33/72/199253372.db2.gz OMSIJDGUVNDBAL-UHFFFAOYSA-N 0 3 282.334 2.941 20 30 CFEDHN C[C@H](NCC1([S@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280876138 299285000 /nfs/dbraw/zinc/28/50/00/299285000.db2.gz AMPNDWAABZJROA-BUXKBTBVSA-N 0 3 276.405 2.510 20 30 CFEDHN C=CCCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000665945002 540470285 /nfs/dbraw/zinc/47/02/85/540470285.db2.gz ADNVIZPFKPTBNF-UHFFFAOYSA-N 0 3 289.423 2.644 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nccc2ccccc21 ZINC000678731900 540476093 /nfs/dbraw/zinc/47/60/93/540476093.db2.gz ABHUCIGFWKMGDD-CYBMUJFWSA-N 0 3 256.349 2.509 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(OCCO)c(OC)c1 ZINC000678755212 540476898 /nfs/dbraw/zinc/47/68/98/540476898.db2.gz OOBKVGORTAHGKI-KGLIPLIRSA-N 0 3 291.391 2.519 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(C)s1 ZINC000297065463 200076120 /nfs/dbraw/zinc/07/61/20/200076120.db2.gz ZEXOZVPJTMHDEU-YPMHNXCESA-N 0 3 252.383 2.522 20 30 CFEDHN COc1ccccc1CCNCc1ccc(C#N)s1 ZINC000176941516 189015804 /nfs/dbraw/zinc/01/58/04/189015804.db2.gz FCKRXWPYMVUHRJ-UHFFFAOYSA-N 0 3 272.373 2.961 20 30 CFEDHN CC[C@H](CNCc1ccc(C#N)s1)N1CCCC1 ZINC000176946487 189016280 /nfs/dbraw/zinc/01/62/80/189016280.db2.gz OQOQPUOZNBZEMG-GFCCVEGCSA-N 0 3 263.410 2.584 20 30 CFEDHN CC(C)CO[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000177419060 189049602 /nfs/dbraw/zinc/04/96/02/189049602.db2.gz RBHXBASXTUXDDV-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000177544534 189055790 /nfs/dbraw/zinc/05/57/90/189055790.db2.gz BBYBXNCRKNFRPF-YCPHGPKFSA-N 0 3 272.392 2.555 20 30 CFEDHN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1C ZINC000177908095 189078425 /nfs/dbraw/zinc/07/84/25/189078425.db2.gz PIRDSOODZDSKAT-VXGBXAGGSA-N 0 3 282.347 2.839 20 30 CFEDHN C=CC[C@H]1N(CC[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000683527645 540769555 /nfs/dbraw/zinc/76/95/55/540769555.db2.gz HXVFVMJSKYLOID-LSDHHAIUSA-N 0 3 299.480 2.878 20 30 CFEDHN C=CCCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000178414443 189114180 /nfs/dbraw/zinc/11/41/80/189114180.db2.gz AEOSHQRIUSSMFA-QGZVFWFLSA-N 0 3 251.395 2.822 20 30 CFEDHN C=CCC[C@H](O)CNC(C)(C)c1cccc(F)c1 ZINC000179577146 189203866 /nfs/dbraw/zinc/20/38/66/189203866.db2.gz BINZEQBFRFJJJU-AWEZNQCLSA-N 0 3 251.345 2.978 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179631580 189208554 /nfs/dbraw/zinc/20/85/54/189208554.db2.gz GFJOQXQYFOFIIL-KBPBESRZSA-N 0 3 293.407 2.990 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000179740212 189217480 /nfs/dbraw/zinc/21/74/80/189217480.db2.gz YMIJVTKOIJIBBM-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000180030229 189233372 /nfs/dbraw/zinc/23/33/72/189233372.db2.gz MJDDXEWKSRJHIN-HZUKXOBISA-N 0 3 292.810 2.929 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc(C#N)cc1F ZINC000301552863 201065041 /nfs/dbraw/zinc/06/50/41/201065041.db2.gz QZKLDKLAQYGGCI-ZDUSSCGKSA-N 0 3 261.344 2.984 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1cccc(C#N)n1 ZINC000301855162 201233002 /nfs/dbraw/zinc/23/30/02/201233002.db2.gz QVVMCMBMEVRVFP-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN N#CC(C(=O)c1coc(Br)c1)c1ccccn1 ZINC000073970127 541221934 /nfs/dbraw/zinc/22/19/34/541221934.db2.gz ISNICMRIYVWNOQ-SECBINFHSA-N 0 3 291.104 2.927 20 30 CFEDHN CCn1cccc(CN[C@@H](C)c2cccc(C#N)c2)c1=O ZINC000432505640 240016646 /nfs/dbraw/zinc/01/66/46/240016646.db2.gz ZZACMZYYXXAHNY-ZDUSSCGKSA-N 0 3 281.359 2.591 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N(C)CC2(N(C)C)CCC2)c1 ZINC000275531268 193069447 /nfs/dbraw/zinc/06/94/47/193069447.db2.gz YEJFMOZHZNHODG-UHFFFAOYSA-N 0 3 285.391 2.681 20 30 CFEDHN C=C(C)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000275830834 193141372 /nfs/dbraw/zinc/14/13/72/193141372.db2.gz GCCXKZDINMBJKX-UHFFFAOYSA-N 0 3 259.328 2.736 20 30 CFEDHN Cc1cc(CNCc2ccc3c(c2)OCCO3)ccc1C#N ZINC000443968836 241100413 /nfs/dbraw/zinc/10/04/13/241100413.db2.gz OPRFTGRLHVNTME-UHFFFAOYSA-N 0 3 294.354 2.928 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2ccc(C#N)c(C)c2)c1 ZINC000443992949 241104632 /nfs/dbraw/zinc/10/46/32/241104632.db2.gz YUJURGKXIXAXAY-LJQANCHMSA-N 0 3 294.398 2.868 20 30 CFEDHN Cc1cc(CNCCN2CC=C(C)CC2)ccc1C#N ZINC000443998690 241104736 /nfs/dbraw/zinc/10/47/36/241104736.db2.gz QVLNPTYQZORYIT-UHFFFAOYSA-N 0 3 269.392 2.608 20 30 CFEDHN Cc1cc(CN[C@H](C)[C@H]2CCCCO2)ccc1C#N ZINC000444002957 241106761 /nfs/dbraw/zinc/10/67/61/241106761.db2.gz QFLXIYOKSIESHO-CZUORRHYSA-N 0 3 258.365 2.914 20 30 CFEDHN Cc1cc(CN[C@@H](C)[C@@H]2CCCCO2)ccc1C#N ZINC000444002955 241107130 /nfs/dbraw/zinc/10/71/30/241107130.db2.gz QFLXIYOKSIESHO-BBRMVZONSA-N 0 3 258.365 2.914 20 30 CFEDHN Cc1cc(CN[C@@H](C)[C@H]2CCCCO2)ccc1C#N ZINC000444002958 241107684 /nfs/dbraw/zinc/10/76/84/241107684.db2.gz QFLXIYOKSIESHO-XJKSGUPXSA-N 0 3 258.365 2.914 20 30 CFEDHN N#Cc1csc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000449550476 242021497 /nfs/dbraw/zinc/02/14/97/242021497.db2.gz CZBCKNWGFMEERC-HZSPNIEDSA-N 0 3 276.405 2.603 20 30 CFEDHN N#Cc1ccc(CNCC2(C(F)F)CC2)cc1F ZINC000449735302 242124426 /nfs/dbraw/zinc/12/44/26/242124426.db2.gz HDQPJOKXQILAMT-UHFFFAOYSA-N 0 3 254.255 2.832 20 30 CFEDHN CC(C)OC1CC(NCc2ccc(C#N)c(F)c2)C1 ZINC000449738109 242127656 /nfs/dbraw/zinc/12/76/56/242127656.db2.gz YMLXJKUMHBNWRW-UHFFFAOYSA-N 0 3 262.328 2.743 20 30 CFEDHN COC[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000449775938 242154403 /nfs/dbraw/zinc/15/44/03/242154403.db2.gz NOXSPDAUTOPBIX-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)n1C ZINC000450103296 242274979 /nfs/dbraw/zinc/27/49/79/242274979.db2.gz IWGFXJKXHIKLKW-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000346936664 296116057 /nfs/dbraw/zinc/11/60/57/296116057.db2.gz FVYQKIULSACFKN-CQSZACIVSA-N 0 3 299.418 2.505 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H]1CCCC[C@@H]1O ZINC000574330421 335010970 /nfs/dbraw/zinc/01/09/70/335010970.db2.gz VPCUARNUPFIBAE-HOCLYGCPSA-N 0 3 263.381 2.861 20 30 CFEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)NC1CCCC1 ZINC000329261657 299401039 /nfs/dbraw/zinc/40/10/39/299401039.db2.gz FXJMSEXKXFSCIG-DEQVHRJGSA-N 0 3 280.412 2.677 20 30 CFEDHN C=CCCN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000276154022 193227984 /nfs/dbraw/zinc/22/79/84/193227984.db2.gz PNVDSEDKZOOBKV-UHFFFAOYSA-N 0 3 299.374 2.856 20 30 CFEDHN C[C@H](NC[C@H](O)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000276332300 193289416 /nfs/dbraw/zinc/28/94/16/193289416.db2.gz HADUJOCKTFTMFD-JOYOIKCWSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000276355109 193297617 /nfs/dbraw/zinc/29/76/17/193297617.db2.gz DXLCOVFRDQTBCX-HNNXBMFYSA-N 0 3 274.408 2.932 20 30 CFEDHN N#Cc1cccc(C2(NCC[C@H]3CCCO3)CC2)c1 ZINC000276320289 193286025 /nfs/dbraw/zinc/28/60/25/193286025.db2.gz ZZQKDKASVHIYIW-OAHLLOKOSA-N 0 3 256.349 2.706 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCCCO ZINC000276473798 193346897 /nfs/dbraw/zinc/34/68/97/193346897.db2.gz ZEUQJCVOAPAJSH-UHFFFAOYSA-N 0 3 285.309 2.761 20 30 CFEDHN C#CCCN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000277107789 193556739 /nfs/dbraw/zinc/55/67/39/193556739.db2.gz UUFYGCKMEWLUEQ-UONOGXRCSA-N 0 3 267.731 2.922 20 30 CFEDHN COCC#CCN(Cc1ccc(F)cc1)CC1CC1 ZINC000677133171 541826056 /nfs/dbraw/zinc/82/60/56/541826056.db2.gz KWTXGUBWMVMFHS-UHFFFAOYSA-N 0 3 261.340 2.688 20 30 CFEDHN CCC[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000459809479 245336867 /nfs/dbraw/zinc/33/68/67/245336867.db2.gz SRVOEGVDDNJDPR-CVEARBPZSA-N 0 3 285.391 2.643 20 30 CFEDHN CN(CCCNC(=O)C1(C#N)CCCC1)Cc1ccccc1 ZINC000032765986 372461271 /nfs/dbraw/zinc/46/12/71/372461271.db2.gz ZRRRHXYWEHYEAB-UHFFFAOYSA-N 0 3 299.418 2.709 20 30 CFEDHN CC[C@@H](C)N(CC)CC(=O)Nc1cccc(C#N)c1 ZINC000037113081 372650899 /nfs/dbraw/zinc/65/08/99/372650899.db2.gz NYRNWZSRTCBAGY-GFCCVEGCSA-N 0 3 259.353 2.617 20 30 CFEDHN CCN(CC(C)C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000037111577 372651094 /nfs/dbraw/zinc/65/10/94/372651094.db2.gz FTWKHBWDJTUVLF-CYBMUJFWSA-N 0 3 273.380 2.863 20 30 CFEDHN CC(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041493630 372843564 /nfs/dbraw/zinc/84/35/64/372843564.db2.gz CHUZWCDWGGFLDW-AWEZNQCLSA-N 0 3 279.299 2.530 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)OCO3)n1 ZINC000041520128 372846330 /nfs/dbraw/zinc/84/63/30/372846330.db2.gz WHBFIMCSFQPWMQ-JTQLQIEISA-N 0 3 286.312 2.670 20 30 CFEDHN N#CCCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263777097 383687657 /nfs/dbraw/zinc/68/76/57/383687657.db2.gz XTYWGZODZQIWTQ-UHFFFAOYSA-N 0 3 289.354 2.780 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN([C@H](C)C1CC1)C1CC1 ZINC000047908416 373128587 /nfs/dbraw/zinc/12/85/87/373128587.db2.gz BLOXSROIAJLABC-CYBMUJFWSA-N 0 3 264.413 2.674 20 30 CFEDHN N#CCCCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000048391343 373175280 /nfs/dbraw/zinc/17/52/80/373175280.db2.gz UIQXYRCNTAMOOW-CQSZACIVSA-N 0 3 271.364 2.641 20 30 CFEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC1CC1 ZINC000048580122 373203649 /nfs/dbraw/zinc/20/36/49/373203649.db2.gz CIKYJIIITQKMIY-SNVBAGLBSA-N 0 3 291.782 2.880 20 30 CFEDHN CC(C)[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000049077780 373264059 /nfs/dbraw/zinc/26/40/59/373264059.db2.gz CXQFAHMUTSILCT-OAHLLOKOSA-N 0 3 271.364 2.617 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccc(F)cc1 ZINC000051767016 373407862 /nfs/dbraw/zinc/40/78/62/373407862.db2.gz USKGDRPSOLXABD-UHFFFAOYSA-N 0 3 262.328 2.828 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000054183331 373504350 /nfs/dbraw/zinc/50/43/50/373504350.db2.gz XGFYBYGMFVXMST-JKSUJKDBSA-N 0 3 257.381 2.543 20 30 CFEDHN C=C[C@H](CO)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000289623337 197424259 /nfs/dbraw/zinc/42/42/59/197424259.db2.gz DSLFTYPLIFWVHB-OCCSQVGLSA-N 0 3 264.325 2.573 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCCCCC2)cc1 ZINC000057757705 373610514 /nfs/dbraw/zinc/61/05/14/373610514.db2.gz XLKPEXFETMTZMZ-INIZCTEOSA-N 0 3 281.359 2.643 20 30 CFEDHN N#CC1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000057906206 373618675 /nfs/dbraw/zinc/61/86/75/373618675.db2.gz ILPPGILFZCVZQI-UHFFFAOYSA-N 0 3 262.328 2.830 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CN(CC)CC ZINC000058821074 373671201 /nfs/dbraw/zinc/67/12/01/373671201.db2.gz QQMRHGDKVWLMIU-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(F)cc1C#N ZINC000451728228 383693217 /nfs/dbraw/zinc/69/32/17/383693217.db2.gz FBDOWQRELKOCOB-MRXNPFEDSA-N 0 3 275.371 2.613 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CC3)CC2)cc1Cl ZINC000061851014 373732971 /nfs/dbraw/zinc/73/29/71/373732971.db2.gz XXONNQYNMIREMI-UHFFFAOYSA-N 0 3 275.783 2.744 20 30 CFEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCCC1 ZINC000064021240 373819430 /nfs/dbraw/zinc/81/94/30/373819430.db2.gz VPEDHKMUDBLNMH-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)[C@H](C(=O)NCc1ccc(C#N)cc1)N1CCCCC1 ZINC000067291160 373975358 /nfs/dbraw/zinc/97/53/58/373975358.db2.gz VKTIFPDWSYKQGQ-QGZVFWFLSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C)C[C@H](C)C1 ZINC000069040528 374045329 /nfs/dbraw/zinc/04/53/29/374045329.db2.gz SYYBLFZAJOGXPD-ZNMIVQPWSA-N 0 3 291.439 2.695 20 30 CFEDHN CN(CC(=O)Nc1ccc(C#N)cc1)CC1CCCC1 ZINC000070158358 374129919 /nfs/dbraw/zinc/12/99/19/374129919.db2.gz ZCVGMYICZDUECQ-UHFFFAOYSA-N 0 3 271.364 2.619 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000069679570 374085364 /nfs/dbraw/zinc/08/53/64/374085364.db2.gz NGBDJLDZKOHSPM-IAGOWNOFSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000069878604 374106789 /nfs/dbraw/zinc/10/67/89/374106789.db2.gz IVPMNTDBABSIKF-UHFFFAOYSA-N 0 3 286.301 2.558 20 30 CFEDHN C[C@@H]1CSCCN1CCCOc1cccc(C#N)c1 ZINC000070219840 374148231 /nfs/dbraw/zinc/14/82/31/374148231.db2.gz UYGFLEVHSGBITN-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN C[C@@H]1CN(CCOc2ccccc2C#N)C[C@H](C)S1 ZINC000070383226 374170433 /nfs/dbraw/zinc/17/04/33/374170433.db2.gz KBVPGFLKZCKHPX-BETUJISGSA-N 0 3 276.405 2.763 20 30 CFEDHN COCC#CCN(C)CCCOc1ccc(Cl)cc1 ZINC000677818272 541910017 /nfs/dbraw/zinc/91/00/17/541910017.db2.gz IJGFEKPNOBMORW-UHFFFAOYSA-N 0 3 281.783 2.691 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000072775048 374283857 /nfs/dbraw/zinc/28/38/57/374283857.db2.gz UVEHYSWFJFKROM-HRCADAONSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000077829350 374565275 /nfs/dbraw/zinc/56/52/75/374565275.db2.gz SEOMJZWCVADYQL-HNNXBMFYSA-N 0 3 275.396 2.555 20 30 CFEDHN CC#CCN1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000079915071 374633806 /nfs/dbraw/zinc/63/38/06/374633806.db2.gz SOEAPMUBBYFCQA-UHFFFAOYSA-N 0 3 288.391 2.603 20 30 CFEDHN C=CCN(CC=C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000431848223 383701515 /nfs/dbraw/zinc/70/15/15/383701515.db2.gz NSWDOIORHCYROG-MRXNPFEDSA-N 0 3 272.392 2.880 20 30 CFEDHN CSCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264154820 383701566 /nfs/dbraw/zinc/70/15/66/383701566.db2.gz RKOVQFOEWYDBQL-UHFFFAOYSA-N 0 3 276.405 2.764 20 30 CFEDHN C=C(C)CN1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000080937259 374676545 /nfs/dbraw/zinc/67/65/45/374676545.db2.gz RCTSGWMCFCRGSF-CQSZACIVSA-N 0 3 273.380 2.617 20 30 CFEDHN COc1ccc(CN(C)C[C@@H]2CCCCO2)cc1C#N ZINC000087833230 374833547 /nfs/dbraw/zinc/83/35/47/374833547.db2.gz UENMNHKLNJOWHR-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN CCN(Cc1ccc(OC)c(C#N)c1)C[C@@H]1CCCO1 ZINC000087833233 374833416 /nfs/dbraw/zinc/83/34/16/374833416.db2.gz IKMGNKAIZWJXAF-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCC[C@H](NCc1c(CC)nn(C)c1OC)C1CC1 ZINC000089212336 374889599 /nfs/dbraw/zinc/88/95/99/374889599.db2.gz KZXLRIFYOQCPPH-HNNXBMFYSA-N 0 3 277.412 2.826 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1F)C1CCOCC1 ZINC000090117306 374990907 /nfs/dbraw/zinc/99/09/07/374990907.db2.gz WGHWOJVFXQVDRK-NSHDSACASA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H]1C[C@@H](Nc2c(F)cc(C#N)cc2F)CCN1C ZINC000090794951 375029580 /nfs/dbraw/zinc/02/95/80/375029580.db2.gz QGTHWFAFZZLXLJ-ONGXEEELSA-N 0 3 265.307 2.731 20 30 CFEDHN C[C@H](NCCCCC#N)c1nc2ccccc2n1C ZINC000091319670 375048118 /nfs/dbraw/zinc/04/81/18/375048118.db2.gz OWKCSDXRINLYIL-LBPRGKRZSA-N 0 3 256.353 2.918 20 30 CFEDHN CCC[C@@H]1CN(CC(C)(C)CCC#N)CCN1CCOC ZINC000091858987 375066360 /nfs/dbraw/zinc/06/63/60/375066360.db2.gz SLPDBWAKKGBNEL-MRXNPFEDSA-N 0 3 295.471 2.749 20 30 CFEDHN C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000092586200 375125779 /nfs/dbraw/zinc/12/57/79/375125779.db2.gz SQGCIOUIZOCBFF-CYBMUJFWSA-N 0 3 268.364 2.828 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H](COC)C1 ZINC000093337895 375214988 /nfs/dbraw/zinc/21/49/88/375214988.db2.gz WTFSDYPBDVXHFM-HNNXBMFYSA-N 0 3 273.376 2.557 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2Cc3ccccc3O2)c1 ZINC000093492253 375254467 /nfs/dbraw/zinc/25/44/67/375254467.db2.gz ZSIJUOQFGDBEPD-ZDUSSCGKSA-N 0 3 270.357 2.713 20 30 CFEDHN C[C@@H](N[C@@H](c1ccccc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104699225 375786611 /nfs/dbraw/zinc/78/66/11/375786611.db2.gz PCDMPGIDACXHBW-PBHICJAKSA-N 0 3 299.418 2.878 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(C[C@H]2CCCO2)CC1 ZINC000678714479 542060308 /nfs/dbraw/zinc/06/03/08/542060308.db2.gz CRWZNZFGEAVQOR-JKSUJKDBSA-N 0 3 266.429 2.528 20 30 CFEDHN Cn1ccnc1CC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000105875775 375792798 /nfs/dbraw/zinc/79/27/98/375792798.db2.gz RSLGYNSPQXGCBC-UHFFFAOYSA-N 0 3 294.402 2.746 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000678742392 542063785 /nfs/dbraw/zinc/06/37/85/542063785.db2.gz MHUAUPPWNIMQIY-GXFFZTMASA-N 0 3 271.307 2.876 20 30 CFEDHN C=CCOc1ccc(CNCC(C)(C)O)cc1Cl ZINC000111385545 375843524 /nfs/dbraw/zinc/84/35/24/375843524.db2.gz VEGCGVCVQUCBEN-UHFFFAOYSA-N 0 3 269.772 2.765 20 30 CFEDHN N#Cc1ccccc1OC1CCC(NCc2cc[nH]n2)CC1 ZINC000111408885 375845258 /nfs/dbraw/zinc/84/52/58/375845258.db2.gz SHCWOWJCTCQVPK-UHFFFAOYSA-N 0 3 296.374 2.761 20 30 CFEDHN N#CCN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000112202409 375890048 /nfs/dbraw/zinc/89/00/48/375890048.db2.gz RFIOYHSJEAFHQW-UHFFFAOYSA-N 0 3 287.451 2.734 20 30 CFEDHN COCC#CCN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000678799441 542072160 /nfs/dbraw/zinc/07/21/60/542072160.db2.gz XOGLZMNTBMRPNH-HNNXBMFYSA-N 0 3 272.392 2.587 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1ccc(CC#N)cc1 ZINC000112465952 375925557 /nfs/dbraw/zinc/92/55/57/375925557.db2.gz VTPHGONQBHLFNK-UHFFFAOYSA-N 0 3 288.395 2.606 20 30 CFEDHN C=CCc1cc(CNC(C)(C)COC)cc(OC)c1O ZINC000113334501 376010527 /nfs/dbraw/zinc/01/05/27/376010527.db2.gz HJMMDZFLYZBSAN-UHFFFAOYSA-N 0 3 279.380 2.644 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC1CC1 ZINC000115029599 376101557 /nfs/dbraw/zinc/10/15/57/376101557.db2.gz WWVRHLLJTOZEJU-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1C#N ZINC000114723670 376083944 /nfs/dbraw/zinc/08/39/44/376083944.db2.gz PTRTUIUMZGONJB-UHFFFAOYSA-N 0 3 269.348 2.561 20 30 CFEDHN C[C@@H](c1ccccc1)N1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000116064322 376159563 /nfs/dbraw/zinc/15/95/63/376159563.db2.gz WDNSYMFSJPXOEW-AWEZNQCLSA-N 0 3 299.418 2.878 20 30 CFEDHN Cc1noc(C)c1C[C@@H](C)NCc1ccc(C#N)cc1 ZINC000119814439 376480556 /nfs/dbraw/zinc/48/05/56/376480556.db2.gz VBMZMXNQLJHKJX-LLVKDONJSA-N 0 3 269.348 2.884 20 30 CFEDHN CC(C)(C#N)CCN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000119717755 376458739 /nfs/dbraw/zinc/45/87/39/376458739.db2.gz QYHROJVTFCNYBV-INIZCTEOSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000678843965 542082400 /nfs/dbraw/zinc/08/24/00/542082400.db2.gz PTCNWUBSSYAZNA-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1CSC ZINC000121259105 376791997 /nfs/dbraw/zinc/79/19/97/376791997.db2.gz NSCUMFJYWOHMDT-CQSZACIVSA-N 0 3 276.405 2.894 20 30 CFEDHN C=CCC[C@@H](O)CN(C)CCOc1cccc(C)c1 ZINC000121401987 376822197 /nfs/dbraw/zinc/82/21/97/376822197.db2.gz QEJVLTGUBJEXDA-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN CC(C)C[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000123583560 376957877 /nfs/dbraw/zinc/95/78/77/376957877.db2.gz NDIHJIWUWMIXCB-RDJZCZTQSA-N 0 3 291.439 2.695 20 30 CFEDHN CC#CCN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000124586254 377068061 /nfs/dbraw/zinc/06/80/61/377068061.db2.gz RLZNABZMFZZBQP-MRXNPFEDSA-N 0 3 257.333 2.522 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000451827037 383719043 /nfs/dbraw/zinc/71/90/43/383719043.db2.gz SWYXIFMLGBGVNW-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CN(C)C(C)C ZINC000126484632 377230415 /nfs/dbraw/zinc/23/04/15/377230415.db2.gz RFBFICMGBKOPHP-UHFFFAOYSA-N 0 3 290.407 2.550 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000125927242 377200657 /nfs/dbraw/zinc/20/06/57/377200657.db2.gz XPOZLMWLAAABOA-CYBMUJFWSA-N 0 3 292.448 2.919 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CC(=C)C ZINC000125948242 377203364 /nfs/dbraw/zinc/20/33/64/377203364.db2.gz GHTXLYFWMBOLSK-AWEZNQCLSA-N 0 3 252.402 2.698 20 30 CFEDHN CN(C)[C@@H](CNC(=O)c1sccc1C#N)c1ccccc1 ZINC000127987651 377309924 /nfs/dbraw/zinc/30/99/24/377309924.db2.gz KQLANXGYRIWMJO-AWEZNQCLSA-N 0 3 299.399 2.652 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000451831061 383720813 /nfs/dbraw/zinc/72/08/13/383720813.db2.gz ZIGHUXALUGMUAN-HNNXBMFYSA-N 0 3 296.418 2.727 20 30 CFEDHN CN(CCC1CCOCC1)Cc1ccc(C#N)s1 ZINC000129679346 377460729 /nfs/dbraw/zinc/46/07/29/377460729.db2.gz SMDMRXKKFULGHI-UHFFFAOYSA-N 0 3 264.394 2.868 20 30 CFEDHN C=CCOc1cccc(CN2CCC([C@H](C)O)CC2)c1 ZINC000130405987 377551446 /nfs/dbraw/zinc/55/14/46/377551446.db2.gz BRMZOOJDJBLCTK-AWEZNQCLSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCOc1cccc(CN(CC)CCC(=O)OC)c1 ZINC000130492436 377566249 /nfs/dbraw/zinc/56/62/49/377566249.db2.gz HSMVWJBICUEROZ-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN C=CCOCCNCc1ccc(F)c2cccnc12 ZINC000679486215 542196556 /nfs/dbraw/zinc/19/65/56/542196556.db2.gz FOPMZBCEIFZPKY-UHFFFAOYSA-N 0 3 260.312 2.666 20 30 CFEDHN C=CCOCCNCc1ccc(OC(F)F)c(OC)c1 ZINC000679486688 542197437 /nfs/dbraw/zinc/19/74/37/542197437.db2.gz RREFWMZMESQMBX-UHFFFAOYSA-N 0 3 287.306 2.589 20 30 CFEDHN C=CCOc1cccc(CN[C@H](CO)Cc2ccccc2)c1 ZINC000131543490 377724587 /nfs/dbraw/zinc/72/45/87/377724587.db2.gz CHQJLWXVDIIJIV-SFHVURJKSA-N 0 3 297.398 2.945 20 30 CFEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000131809243 377761274 /nfs/dbraw/zinc/76/12/74/377761274.db2.gz WUQOAPKBUXMSMN-LBPRGKRZSA-N 0 3 293.798 2.753 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000132271516 377821091 /nfs/dbraw/zinc/82/10/91/377821091.db2.gz XAQJVHNNVZYUCU-NSHDSACASA-N 0 3 251.292 2.588 20 30 CFEDHN COc1ccc(CCNCc2ccc(C#N)o2)cc1OC ZINC000135121661 378086419 /nfs/dbraw/zinc/08/64/19/378086419.db2.gz UWBQOTPUAYQUBA-UHFFFAOYSA-N 0 3 286.331 2.501 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000264309511 383724225 /nfs/dbraw/zinc/72/42/25/383724225.db2.gz AGZNXQXPDNUWSR-UHFFFAOYSA-N 0 3 298.430 2.946 20 30 CFEDHN COCCN(CCOC)Cc1ccccc1C(C)(C)C#N ZINC000135106023 378082965 /nfs/dbraw/zinc/08/29/65/378082965.db2.gz ZCDPWXLWPDTNHN-UHFFFAOYSA-N 0 3 290.407 2.583 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1CCC(C)C ZINC000135309596 378115313 /nfs/dbraw/zinc/11/53/13/378115313.db2.gz AUOPRXAQYMVXLB-JKSUJKDBSA-N 0 3 293.455 2.895 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCOC1 ZINC000135204782 378097746 /nfs/dbraw/zinc/09/77/46/378097746.db2.gz ZDMLFXPJYBYBDO-AWEZNQCLSA-N 0 3 258.365 2.708 20 30 CFEDHN CC(C)(C#N)c1ccccc1CNC1(C(N)=O)CCCCC1 ZINC000135275373 378109039 /nfs/dbraw/zinc/10/90/39/378109039.db2.gz ODUIGFHZNBIFFL-UHFFFAOYSA-N 0 3 299.418 2.766 20 30 CFEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)o2)CN1Cc1ccccc1 ZINC000151321572 378317617 /nfs/dbraw/zinc/31/76/17/378317617.db2.gz JJIDAFDBOIGOOY-GOEBONIOSA-N 0 3 295.386 2.904 20 30 CFEDHN C=CCCN(C)Cc1cc(Br)cn1C ZINC000151572050 378337591 /nfs/dbraw/zinc/33/75/91/378337591.db2.gz SVCHIPDPRWEIBH-UHFFFAOYSA-N 0 3 257.175 2.796 20 30 CFEDHN C=CCCCN(C)Cc1cnn(C)c1C(F)(F)F ZINC000151589437 378339853 /nfs/dbraw/zinc/33/98/53/378339853.db2.gz BTAHVNFKSRKGJH-UHFFFAOYSA-N 0 3 261.291 2.837 20 30 CFEDHN C[C@H](N[C@@H]1CCC(=O)NC12CCC2)C(=O)NC1CCCC1 ZINC000328695633 378415932 /nfs/dbraw/zinc/41/59/32/378415932.db2.gz KMUROFDZNHTGCU-WCQYABFASA-N 0 3 293.411 2.905 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccc(Cl)cn2)s1 ZINC000152161955 378400265 /nfs/dbraw/zinc/40/02/65/378400265.db2.gz VBIFRNHVHSLZLE-UHFFFAOYSA-N 0 3 293.779 2.837 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccc(Cl)cn2)cc1 ZINC000152163948 378401461 /nfs/dbraw/zinc/40/14/61/378401461.db2.gz OFSVFPCBXGXOEN-UHFFFAOYSA-N 0 3 287.750 2.775 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152982050 378464149 /nfs/dbraw/zinc/46/41/49/378464149.db2.gz AIDBAPVEGODCFH-CVEARBPZSA-N 0 3 256.349 2.559 20 30 CFEDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC000328777590 378424193 /nfs/dbraw/zinc/42/41/93/378424193.db2.gz LLZRZVSUGXHDCW-CYBMUJFWSA-N 0 3 291.395 2.977 20 30 CFEDHN CC(C)n1cnnc1[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000328793380 378425784 /nfs/dbraw/zinc/42/57/84/378425784.db2.gz CBWQXQYSYPEKGF-ZNMIVQPWSA-N 0 3 287.411 2.731 20 30 CFEDHN Cc1cnn(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000328891371 378436450 /nfs/dbraw/zinc/43/64/50/378436450.db2.gz SMHHGRRNRVVXKT-WBVHZDCISA-N 0 3 298.390 2.593 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ncccc23)CCN1C ZINC000329803160 378498102 /nfs/dbraw/zinc/49/81/02/378498102.db2.gz JQEKUTFHJPMBNW-DGCLKSJQSA-N 0 3 286.379 2.545 20 30 CFEDHN CCCN1CCC(NC(=O)c2conc2C2CC2)CC1 ZINC000329817768 378501349 /nfs/dbraw/zinc/50/13/49/378501349.db2.gz FXAGLOTUBUJTQR-UHFFFAOYSA-N 0 3 277.368 2.731 20 30 CFEDHN CN1CCC(NC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000329896280 378509433 /nfs/dbraw/zinc/50/94/33/378509433.db2.gz CIPOMPGYTFCYPK-UHFFFAOYSA-N 0 3 277.368 2.731 20 30 CFEDHN C#CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000154443569 378567302 /nfs/dbraw/zinc/56/73/02/378567302.db2.gz JEZJUMSBOIKWHN-MRXNPFEDSA-N 0 3 288.347 2.506 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000679823638 542239232 /nfs/dbraw/zinc/23/92/32/542239232.db2.gz NYIXJUGWNZWQLA-CXAGYDPISA-N 0 3 285.391 2.768 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000330622914 378591503 /nfs/dbraw/zinc/59/15/03/378591503.db2.gz OTJOAXXAPBQNQC-CJNGLKHVSA-N 0 3 279.428 2.551 20 30 CFEDHN CO[C@@H]1CC[C@@H]2OCCN(CCCC(C)(C)C#N)[C@H]2C1 ZINC000157879895 378661162 /nfs/dbraw/zinc/66/11/62/378661162.db2.gz MXBVBAORLFZPOB-ILXRZTDVSA-N 0 3 280.412 2.585 20 30 CFEDHN COC(=O)CC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000331282690 378663717 /nfs/dbraw/zinc/66/37/17/378663717.db2.gz VSZDYGYGSHXANB-CYBMUJFWSA-N 0 3 286.375 2.894 20 30 CFEDHN C=C(C)CN(CC)Cc1cn(C)nc1-c1cccnc1 ZINC000158995279 378679974 /nfs/dbraw/zinc/67/99/74/378679974.db2.gz GILCOKKGXWIMDN-UHFFFAOYSA-N 0 3 270.380 2.880 20 30 CFEDHN CCSCCN1CCCN(c2ccccc2C#N)CC1 ZINC000159238183 378696521 /nfs/dbraw/zinc/69/65/21/378696521.db2.gz XXBHSLHROKKURL-UHFFFAOYSA-N 0 3 289.448 2.823 20 30 CFEDHN C=C(C)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1[O-] ZINC000159474063 378712313 /nfs/dbraw/zinc/71/23/13/378712313.db2.gz JJIVHKIGZRXYKA-UHFFFAOYSA-N 0 3 265.353 2.807 20 30 CFEDHN C=C(C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1[O-] ZINC000159474063 378712315 /nfs/dbraw/zinc/71/23/15/378712315.db2.gz JJIVHKIGZRXYKA-UHFFFAOYSA-N 0 3 265.353 2.807 20 30 CFEDHN N#Cc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159577196 378716948 /nfs/dbraw/zinc/71/69/48/378716948.db2.gz LKILOGYPEQWLGK-IHRRRGAJSA-N 0 3 274.389 2.667 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cnccc1C#N ZINC000160210556 378756091 /nfs/dbraw/zinc/75/60/91/378756091.db2.gz RFKLXROOYBVGIR-KDOFPFPSSA-N 0 3 292.386 2.886 20 30 CFEDHN CC1(C#N)CCC(N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000333367962 378821357 /nfs/dbraw/zinc/82/13/57/378821357.db2.gz YUHFNIZZWKRNMZ-OWYJLGKBSA-N 0 3 258.369 2.849 20 30 CFEDHN CC(C)(C)N1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000335315840 379071442 /nfs/dbraw/zinc/07/14/42/379071442.db2.gz YQTPGPBRUSVYQC-UHFFFAOYSA-N 0 3 277.437 2.926 20 30 CFEDHN C#CCSCCNCc1ccc(OC(F)F)c(F)c1 ZINC000168379266 379085999 /nfs/dbraw/zinc/08/59/99/379085999.db2.gz RVMVWIPUYIBAEB-UHFFFAOYSA-N 0 3 289.322 2.883 20 30 CFEDHN CN1CCC(Nc2cccc(Br)c2C#N)CC1 ZINC000168472827 379087707 /nfs/dbraw/zinc/08/77/07/379087707.db2.gz CUIYHQYRFKJCIK-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN COc1cccc2c1CCN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000334364798 379165054 /nfs/dbraw/zinc/16/50/54/379165054.db2.gz HBYPKZNPRFJBOU-ZFWWWQNUSA-N 0 3 270.376 2.788 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334381303 379196303 /nfs/dbraw/zinc/19/63/03/379196303.db2.gz JJFZHLAYVZHJLL-HOCLYGCPSA-N 0 3 264.413 2.533 20 30 CFEDHN CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000278831237 194173774 /nfs/dbraw/zinc/17/37/74/194173774.db2.gz UBBACHYMAICDHL-CHWSQXEVSA-N 0 3 286.297 2.912 20 30 CFEDHN CCCCCCCN(CCO)Cc1cccnc1 ZINC000171145676 379244907 /nfs/dbraw/zinc/24/49/07/379244907.db2.gz KSBQALKSXAELQM-UHFFFAOYSA-N 0 3 250.386 2.846 20 30 CFEDHN CC(C#N)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000334411840 379253000 /nfs/dbraw/zinc/25/30/00/379253000.db2.gz UQPHDZIFYAKPBU-ZDUSSCGKSA-N 0 3 256.349 2.726 20 30 CFEDHN C=CCCN(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278923165 194214737 /nfs/dbraw/zinc/21/47/37/194214737.db2.gz VDZNLGLCHIQALX-UHFFFAOYSA-N 0 3 275.348 2.539 20 30 CFEDHN C=CCN1CCC(NC(=O)c2nccc3ccccc32)CC1 ZINC000171714694 379383116 /nfs/dbraw/zinc/38/31/16/379383116.db2.gz XZWUDBJVLZDLOA-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(C)c2C)CC1 ZINC000171721824 379384833 /nfs/dbraw/zinc/38/48/33/379384833.db2.gz WCQQRXVCRPNMRO-UHFFFAOYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000171680321 379367800 /nfs/dbraw/zinc/36/78/00/379367800.db2.gz JIKFVKPVQCKALE-UHFFFAOYSA-N 0 3 294.786 2.507 20 30 CFEDHN C=CC1CCN(C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000335536110 379471610 /nfs/dbraw/zinc/47/16/10/379471610.db2.gz VZTLNDAZKLQUDD-UHFFFAOYSA-N 0 3 273.380 2.884 20 30 CFEDHN C[C@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1O ZINC000334542024 379491929 /nfs/dbraw/zinc/49/19/29/379491929.db2.gz SRJSJEZHELTIJW-UONOGXRCSA-N 0 3 250.386 2.553 20 30 CFEDHN N#CC1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)CC1 ZINC000334659315 379724274 /nfs/dbraw/zinc/72/42/74/379724274.db2.gz XFBKHXQOZSPAGT-MRXNPFEDSA-N 0 3 289.423 2.546 20 30 CFEDHN C[C@@H]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715751 379773739 /nfs/dbraw/zinc/77/37/39/379773739.db2.gz SBKPJUTTXNEBNQ-TZMCWYRMSA-N 0 3 268.364 2.826 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000174255648 379852521 /nfs/dbraw/zinc/85/25/21/379852521.db2.gz IOUKDTJVHOPWCZ-AWEZNQCLSA-N 0 3 295.386 2.688 20 30 CFEDHN CC(C(=O)Nc1ccc(F)c(C#N)c1)C(F)(F)F ZINC000335770686 379861325 /nfs/dbraw/zinc/86/13/25/379861325.db2.gz ZWNMIWSGKYMABV-LURJTMIESA-N 0 3 260.190 2.834 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000335773745 379866313 /nfs/dbraw/zinc/86/63/13/379866313.db2.gz FFPQQMQMWOLPPU-UONOGXRCSA-N 0 3 274.339 2.556 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1C ZINC000174647788 379922686 /nfs/dbraw/zinc/92/26/86/379922686.db2.gz KLWNNLDANWZHEQ-UHFFFAOYSA-N 0 3 258.365 2.998 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)N(C)Cc1ccccc1 ZINC000174375821 379872975 /nfs/dbraw/zinc/87/29/75/379872975.db2.gz ZUMHOJZWNMNIEL-CQSZACIVSA-N 0 3 283.375 2.761 20 30 CFEDHN C=CCOc1cccc(CNC[C@@](C)(O)c2ccco2)c1 ZINC000174526869 379903765 /nfs/dbraw/zinc/90/37/65/379903765.db2.gz GNWXUBNCPLXPGE-QGZVFWFLSA-N 0 3 287.359 2.842 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000335839578 379974283 /nfs/dbraw/zinc/97/42/83/379974283.db2.gz QOCZTLWHMASVMR-OCCSQVGLSA-N 0 3 255.365 2.742 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000335839833 379974646 /nfs/dbraw/zinc/97/46/46/379974646.db2.gz AOCVOBWFEMACFE-XJKSGUPXSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000335143177 379982125 /nfs/dbraw/zinc/98/21/25/379982125.db2.gz DJFJLSGAKBLQMG-PELKAZGASA-N 0 3 293.164 2.712 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1F ZINC000335233942 380053610 /nfs/dbraw/zinc/05/36/10/380053610.db2.gz TYIRKIFTDKZTLP-CQSZACIVSA-N 0 3 270.311 2.588 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@]3(CCOC3)C2)cc1F ZINC000335239701 380062426 /nfs/dbraw/zinc/06/24/26/380062426.db2.gz KLRTWGXZSUDQMG-MRXNPFEDSA-N 0 3 274.339 2.700 20 30 CFEDHN N#Cc1cc(CN[C@H]2Cc3cccc(O)c3C2)ccc1F ZINC000335902540 380078730 /nfs/dbraw/zinc/07/87/30/380078730.db2.gz CEEWIILILOXHAZ-AWEZNQCLSA-N 0 3 282.318 2.660 20 30 CFEDHN Cc1cc(CN2CCS[C@H]3COCC[C@H]32)ccc1C#N ZINC000335226702 380041101 /nfs/dbraw/zinc/04/11/01/380041101.db2.gz BPCUKIUVUWGICW-CVEARBPZSA-N 0 3 288.416 2.573 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)c(F)cc2F)CC1 ZINC000176321734 380214367 /nfs/dbraw/zinc/21/43/67/380214367.db2.gz XIAGIARBMGZJJK-UHFFFAOYSA-N 0 3 294.345 2.653 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000335998048 380215451 /nfs/dbraw/zinc/21/54/51/380215451.db2.gz HWZIMSLQZFXKTO-GFCCVEGCSA-N 0 3 252.317 2.958 20 30 CFEDHN C[C@@H](CNC(=O)c1cscc1C#N)N1CCCC[C@@H]1C ZINC000432391810 383744361 /nfs/dbraw/zinc/74/43/61/383744361.db2.gz NVTFTPGFNJVWBF-RYUDHWBXSA-N 0 3 291.420 2.612 20 30 CFEDHN C[C@@H](CNC(=O)c1cscc1C#N)N1CCCC[C@H]1C ZINC000432391808 383744542 /nfs/dbraw/zinc/74/45/42/383744542.db2.gz NVTFTPGFNJVWBF-NEPJUHHUSA-N 0 3 291.420 2.612 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000336496014 380365211 /nfs/dbraw/zinc/36/52/11/380365211.db2.gz NTIBEIJTOKFHGU-CQSZACIVSA-N 0 3 270.311 2.588 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)NCc1cc(C#N)cs1 ZINC000177689667 380367062 /nfs/dbraw/zinc/36/70/62/380367062.db2.gz ICBSEEMAHSOGIO-QWHCGFSZSA-N 0 3 277.437 2.830 20 30 CFEDHN N#CCC[C@H](C#N)CNC1CCc2ccccc2CC1 ZINC000574750341 335044329 /nfs/dbraw/zinc/04/43/29/335044329.db2.gz PBGDRTYMIBIDLC-CQSZACIVSA-N 0 3 267.376 2.967 20 30 CFEDHN C[C@@H](O)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000279069753 194270232 /nfs/dbraw/zinc/27/02/32/194270232.db2.gz LMXRCTKGLHWEOW-MNOVXSKESA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@H]1CC(NCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000179470137 380546243 /nfs/dbraw/zinc/54/62/43/380546243.db2.gz PMFMKJGMFFSNLT-QWRGUYRKSA-N 0 3 262.328 2.743 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCOC3)C2)s1 ZINC000336613093 380549680 /nfs/dbraw/zinc/54/96/80/380549680.db2.gz YDUPGNLJUWIABU-STQMWFEESA-N 0 3 276.405 2.868 20 30 CFEDHN COc1cc(C)c([C@@H](C)NCCCC#N)cc1OC ZINC000179635498 380567052 /nfs/dbraw/zinc/56/70/52/380567052.db2.gz TYVADPDLOZJUET-GFCCVEGCSA-N 0 3 262.353 2.967 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(Br)c(Cl)c1 ZINC000336728215 380615929 /nfs/dbraw/zinc/61/59/29/380615929.db2.gz IAKKZLICXXTLSS-VIFPVBQESA-N 0 3 290.588 2.739 20 30 CFEDHN CC[C@H](NCCCC#N)c1ccc2c(c1)OCCO2 ZINC000180646063 380686442 /nfs/dbraw/zinc/68/64/42/380686442.db2.gz GCJGJAOXORJBPG-ZDUSSCGKSA-N 0 3 260.337 2.802 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cc(F)ccc1F ZINC000181098587 380737983 /nfs/dbraw/zinc/73/79/83/380737983.db2.gz LMDKOVMXDNTNJV-JTQLQIEISA-N 0 3 255.333 2.982 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(OC)cc1F ZINC000181100423 380739484 /nfs/dbraw/zinc/73/94/84/380739484.db2.gz RRSPDKBYMPBUOU-NSHDSACASA-N 0 3 267.369 2.851 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(F)cc1F ZINC000181100528 380739897 /nfs/dbraw/zinc/73/98/97/380739897.db2.gz UKRQNIYHCZAMBM-SNVBAGLBSA-N 0 3 255.333 2.982 20 30 CFEDHN CC(C)(C)[C@@H](CCO)NCc1ccc(F)cc1C#N ZINC000181472386 380800996 /nfs/dbraw/zinc/80/09/96/380800996.db2.gz CYTFFNBZSQQWKE-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccccc1OC(F)(F)F ZINC000341255665 380869738 /nfs/dbraw/zinc/86/97/38/380869738.db2.gz HOXIBIUHSQCKPQ-LLVKDONJSA-N 0 3 289.297 2.859 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccccc1C#N ZINC000347012220 380876365 /nfs/dbraw/zinc/87/63/65/380876365.db2.gz VLHMZSUKWMFRBN-DVOMOZLQSA-N 0 3 258.365 2.540 20 30 CFEDHN C[C@H](NCCOc1cccc(C#N)c1)c1cccc(O)c1 ZINC000181577725 380833139 /nfs/dbraw/zinc/83/31/39/380833139.db2.gz MACZZOGASAAFOO-ZDUSSCGKSA-N 0 3 282.343 2.993 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)CC1CCCCC1 ZINC000346981346 380844967 /nfs/dbraw/zinc/84/49/67/380844967.db2.gz FMSXFWSGAVNELK-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN Cc1cc(NC[C@H](c2ccccc2)N(C)C)cc(C#N)n1 ZINC000341263112 380878903 /nfs/dbraw/zinc/87/89/03/380878903.db2.gz GDGQTMSKKDSBFQ-QGZVFWFLSA-N 0 3 280.375 2.977 20 30 CFEDHN C[C@@H](CNc1cc(C#N)ccn1)N(C)Cc1ccccc1 ZINC000287496161 380846464 /nfs/dbraw/zinc/84/64/64/380846464.db2.gz UKIZFRUGCIDWAU-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C=C(C)CN(CCn1ccnc1)Cc1ccccc1 ZINC000279256261 194355265 /nfs/dbraw/zinc/35/52/65/194355265.db2.gz HQNREERBDAVJKF-UHFFFAOYSA-N 0 3 255.365 2.961 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181767148 380891193 /nfs/dbraw/zinc/89/11/93/380891193.db2.gz MAFLCSZMHZMHNH-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN C=C(CC)CN(CCC1CCCCC1)CC(N)=O ZINC000358507815 380892008 /nfs/dbraw/zinc/89/20/08/380892008.db2.gz LBILNWGECDLSEQ-UHFFFAOYSA-N 0 3 252.402 2.710 20 30 CFEDHN CO[C@@H]([C@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000403978945 380897716 /nfs/dbraw/zinc/89/77/16/380897716.db2.gz ALYBKFLEJFFLBZ-BONVTDFDSA-N 0 3 262.328 2.600 20 30 CFEDHN CC1(C)CC[C@@H](CNCc2ccc(C#N)c(F)c2)O1 ZINC000404092471 380899912 /nfs/dbraw/zinc/89/99/12/380899912.db2.gz AQHUAOQBVGGZRD-ZDUSSCGKSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@](C)(CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC000404101844 380900053 /nfs/dbraw/zinc/90/00/53/380900053.db2.gz DNBLHKPVDJFQAX-OAHLLOKOSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H](NCCC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000181805625 380901509 /nfs/dbraw/zinc/90/15/09/380901509.db2.gz HYFNWQGIDIULGJ-GFCCVEGCSA-N 0 3 274.364 2.941 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000404157802 380902811 /nfs/dbraw/zinc/90/28/11/380902811.db2.gz XGSNPBJLEGMFDH-GJZGRUSLSA-N 0 3 276.355 2.991 20 30 CFEDHN Cn1cc(CN[C@@H](CCCC#N)c2ccccc2)cn1 ZINC000353913211 380951273 /nfs/dbraw/zinc/95/12/73/380951273.db2.gz HQYUOGQAWLEXJN-INIZCTEOSA-N 0 3 268.364 2.945 20 30 CFEDHN Cc1cc(CN2CC[C@H](Oc3ccncc3)C2)ccc1C#N ZINC000347121497 380953605 /nfs/dbraw/zinc/95/36/05/380953605.db2.gz GBUYAXSEFFOQEZ-SFHVURJKSA-N 0 3 293.370 2.915 20 30 CFEDHN CN(C)[C@@H](CNc1cc(C#N)ccn1)Cc1ccccc1 ZINC000341354106 380960643 /nfs/dbraw/zinc/96/06/43/380960643.db2.gz WDWCISUQBMIHRQ-MRXNPFEDSA-N 0 3 280.375 2.538 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000341385218 380981438 /nfs/dbraw/zinc/98/14/38/380981438.db2.gz SNKLQKCRPFBGOS-ZFWWWQNUSA-N 0 3 281.444 2.713 20 30 CFEDHN CCOCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358569368 380936886 /nfs/dbraw/zinc/93/68/86/380936886.db2.gz MIISYBRJRKEHHE-NSHDSACASA-N 0 3 250.317 2.775 20 30 CFEDHN C[C@@H](NCCc1cccnc1)c1ccc(C#N)cc1F ZINC000358579653 380944285 /nfs/dbraw/zinc/94/42/85/380944285.db2.gz XBYZCIVPRIIDRO-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@H](NC[C@](C)(O)C1CC1)c1ccc(C#N)cc1F ZINC000358580600 380945576 /nfs/dbraw/zinc/94/55/76/380945576.db2.gz YEQIHWPGBFJVHE-BONVTDFDSA-N 0 3 262.328 2.509 20 30 CFEDHN CCC[C@](C)(O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358583207 380948099 /nfs/dbraw/zinc/94/80/99/380948099.db2.gz GEEVUUNOCRVCSO-ABAIWWIYSA-N 0 3 264.344 2.899 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)C[C@H]1CCCO1 ZINC000411171847 381012447 /nfs/dbraw/zinc/01/24/47/381012447.db2.gz JNKWSSRENYZIKI-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN N#CC1(CCN2CCC[C@@H](CO)C2)CCCCC1 ZINC000411144612 381013628 /nfs/dbraw/zinc/01/36/28/381013628.db2.gz ACVGWRDJUBNVGR-CQSZACIVSA-N 0 3 250.386 2.555 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000411175989 381013803 /nfs/dbraw/zinc/01/38/03/381013803.db2.gz RTWPNDABVPLLKM-CABCVRRESA-N 0 3 291.439 2.649 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)CCC#N ZINC000411229971 381017926 /nfs/dbraw/zinc/01/79/26/381017926.db2.gz VVXWQQZNYRAXSY-CQSZACIVSA-N 0 3 287.407 2.903 20 30 CFEDHN C=C(C)[C@@H](NCC[C@@H](C)O)c1ccc(F)c(F)c1 ZINC000411557680 381031853 /nfs/dbraw/zinc/03/18/53/381031853.db2.gz RABYXPOPONUANC-QMTHXVAHSA-N 0 3 255.308 2.943 20 30 CFEDHN COCCOC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411276233 381021366 /nfs/dbraw/zinc/02/13/66/381021366.db2.gz MBLIRVPSRHKLLJ-UHFFFAOYSA-N 0 3 294.439 2.978 20 30 CFEDHN C#CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000295712043 381029964 /nfs/dbraw/zinc/02/99/64/381029964.db2.gz KGTWQSNACZPIDX-UHFFFAOYSA-N 0 3 298.430 2.899 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000411554480 381030956 /nfs/dbraw/zinc/03/09/56/381030956.db2.gz QRVCYRPDXRNWBG-KBPBESRZSA-N 0 3 266.385 2.732 20 30 CFEDHN Cc1cc(CCN[C@H](C)c2ccc(C#N)cc2F)on1 ZINC000353995074 381008222 /nfs/dbraw/zinc/00/82/22/381008222.db2.gz GJKVKZHXEXVAKU-LLVKDONJSA-N 0 3 273.311 2.887 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(COC)CC1 ZINC000358740886 381047208 /nfs/dbraw/zinc/04/72/08/381047208.db2.gz DBHPJMLBPAXLCI-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN Cc1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000182321594 381061399 /nfs/dbraw/zinc/06/13/99/381061399.db2.gz BQXXWCJEZFKOQJ-WMLDXEAASA-N 0 3 287.407 2.700 20 30 CFEDHN C[C@@H]1CCSCCN1CCOc1cccc(C#N)c1 ZINC000279328342 194387131 /nfs/dbraw/zinc/38/71/31/194387131.db2.gz SYDAGDOTCSPGNV-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000368567271 381069757 /nfs/dbraw/zinc/06/97/57/381069757.db2.gz RZDUHAHQHFELAL-GOSISDBHSA-N 0 3 299.418 2.707 20 30 CFEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NCCC#N ZINC000411552562 381032423 /nfs/dbraw/zinc/03/24/23/381032423.db2.gz PFVRNNBWIJSWDE-QGZVFWFLSA-N 0 3 285.435 2.963 20 30 CFEDHN C#CCCOc1ccc(CN(C)C[C@@H](C)OC)cc1 ZINC000289560379 381042959 /nfs/dbraw/zinc/04/29/59/381042959.db2.gz IXWRAUNKSHVAHX-CQSZACIVSA-N 0 3 261.365 2.555 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccc(F)cc2)[C@H]2CCO[C@@H]21 ZINC000295828652 381100964 /nfs/dbraw/zinc/10/09/64/381100964.db2.gz CGWJRURSWQRHRP-OAGGEKHMSA-N 0 3 273.351 2.580 20 30 CFEDHN C=C(CC)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000358818669 381103733 /nfs/dbraw/zinc/10/37/33/381103733.db2.gz PDMHWBDZIKVYOI-CYBMUJFWSA-N 0 3 260.385 2.828 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CSC[C@H]1C ZINC000295834032 381105448 /nfs/dbraw/zinc/10/54/48/381105448.db2.gz VMHOCADSJUSGJZ-OCCSQVGLSA-N 0 3 261.390 2.540 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@@H]2c2ccccc2)CC1 ZINC000358832707 381112221 /nfs/dbraw/zinc/11/22/21/381112221.db2.gz SBHGWEDMQFRGBZ-QGZVFWFLSA-N 0 3 299.418 2.793 20 30 CFEDHN CN(CC[C@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000347388523 381117085 /nfs/dbraw/zinc/11/70/85/381117085.db2.gz DCYLOFTZANYBQD-MRXNPFEDSA-N 0 3 258.365 2.949 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@](C)(OC)C1CC1 ZINC000411971490 381076785 /nfs/dbraw/zinc/07/67/85/381076785.db2.gz ONVVPTQQBDXXPE-PXAZEXFGSA-N 0 3 288.391 2.860 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000347466581 381167728 /nfs/dbraw/zinc/16/77/28/381167728.db2.gz SDJVSWFDOCBLAB-ABAIWWIYSA-N 0 3 271.364 2.655 20 30 CFEDHN CN(CC1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182779777 381155640 /nfs/dbraw/zinc/15/56/40/381155640.db2.gz RLCAOTDMRIIMRS-KRWDZBQOSA-N 0 3 297.402 2.786 20 30 CFEDHN CC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182628901 381124525 /nfs/dbraw/zinc/12/45/25/381124525.db2.gz WRHDYCDLYGVUSU-QGZVFWFLSA-N 0 3 297.402 2.786 20 30 CFEDHN COc1ccc2c(c1)C[C@H](NCc1cccc(C#N)c1)CO2 ZINC000295864575 381124639 /nfs/dbraw/zinc/12/46/39/381124639.db2.gz GTEQXXZHSBKSMU-INIZCTEOSA-N 0 3 294.354 2.660 20 30 CFEDHN C=CCOc1ccc(CNCc2[nH]ncc2C)cc1 ZINC000289733364 381125949 /nfs/dbraw/zinc/12/59/49/381125949.db2.gz GJDSVNGXQBJLMB-UHFFFAOYSA-N 0 3 257.337 2.573 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](CC)c2nccn2C)CC1 ZINC000182870589 381177255 /nfs/dbraw/zinc/17/72/55/381177255.db2.gz VXQNUDJWAORXMZ-HNNXBMFYSA-N 0 3 276.428 2.501 20 30 CFEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1cccnc1 ZINC000182888538 381178584 /nfs/dbraw/zinc/17/85/84/381178584.db2.gz JSXGKUWMBIVKSF-CYBMUJFWSA-N 0 3 297.358 2.691 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000354278228 381179208 /nfs/dbraw/zinc/17/92/08/381179208.db2.gz SAQDYQBVZAUMJY-VHDGCEQUSA-N 0 3 286.375 2.646 20 30 CFEDHN C=C[C@H](CO)N[C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000289846481 381184337 /nfs/dbraw/zinc/18/43/37/381184337.db2.gz QEPMWDUVGUVXFN-VXGBXAGGSA-N 0 3 296.392 2.602 20 30 CFEDHN N#Cc1c(CN2CCCCC[C@H]2CCO)cn2ccccc12 ZINC000342040496 381209152 /nfs/dbraw/zinc/20/91/52/381209152.db2.gz XAGIGLQKHCZYLL-INIZCTEOSA-N 0 3 297.402 2.938 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347613213 381256147 /nfs/dbraw/zinc/25/61/47/381256147.db2.gz GWXIJZDJVJDNED-HUUCEWRRSA-N 0 3 293.455 2.895 20 30 CFEDHN Cc1nsc(N[C@@H]2CCN(CC3CCCC3)C2)c1C#N ZINC000342301222 381260275 /nfs/dbraw/zinc/26/02/75/381260275.db2.gz ZTQIYZPGUIPGQD-CYBMUJFWSA-N 0 3 290.436 3.000 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(SC(F)F)cc1 ZINC000290013662 381261204 /nfs/dbraw/zinc/26/12/04/381261204.db2.gz ZAAWSXKKXHRYTO-SNVBAGLBSA-N 0 3 259.321 2.638 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000359030991 381224626 /nfs/dbraw/zinc/22/46/26/381224626.db2.gz PHNGRFWVSKEOBU-YOEHRIQHSA-N 0 3 299.418 3.000 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(Br)cc1 ZINC000289949685 381229680 /nfs/dbraw/zinc/22/96/80/381229680.db2.gz WJNNFVQSABJZDI-CABZTGNLSA-N 0 3 270.170 2.647 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccccc2Cl)o1 ZINC000342279010 381242755 /nfs/dbraw/zinc/24/27/55/381242755.db2.gz MKTGZYAUBMXWBV-NSHDSACASA-N 0 3 290.750 2.670 20 30 CFEDHN N#CC(C(=O)c1ccc(-c2cnco2)cc1)c1ccncn1 ZINC000354410271 381249201 /nfs/dbraw/zinc/24/92/01/381249201.db2.gz KUVGJHGMESSFAP-CYBMUJFWSA-N 0 3 290.282 2.622 20 30 CFEDHN CC1(C)C[C@H](O)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000296090874 381250674 /nfs/dbraw/zinc/25/06/74/381250674.db2.gz PQRJQKISDBGHDR-MRXNPFEDSA-N 0 3 275.367 2.660 20 30 CFEDHN CN1CC[C@H](CNc2nccnc2C#N)[C@H]1c1cccs1 ZINC000369561062 381288152 /nfs/dbraw/zinc/28/81/52/381288152.db2.gz MQITYLPLLPGOKK-RISCZKNCSA-N 0 3 299.403 2.515 20 30 CFEDHN CO[C@@H]1CCN(CCOc2ccccc2C#N)CC1(C)C ZINC000296145721 381274092 /nfs/dbraw/zinc/27/40/92/381274092.db2.gz SZJLVTRGSZNJSQ-MRXNPFEDSA-N 0 3 288.391 2.684 20 30 CFEDHN COC[C@@H](NCCCCC#N)c1ccc(F)cc1 ZINC000342321067 381276774 /nfs/dbraw/zinc/27/67/74/381276774.db2.gz GQOMWYVYIMCOIU-CQSZACIVSA-N 0 3 250.317 2.797 20 30 CFEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccccn2)cn1 ZINC000049458986 412943764 /nfs/dbraw/zinc/94/37/64/412943764.db2.gz BUXPVROGIZJGAX-CYBMUJFWSA-N 0 3 281.315 2.754 20 30 CFEDHN C=CCC[C@@H](CCC)NCc1nnc2n1CCCC2 ZINC000183856396 381331118 /nfs/dbraw/zinc/33/11/18/381331118.db2.gz UDUHMZUHWZWLLN-CYBMUJFWSA-N 0 3 262.401 2.839 20 30 CFEDHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000290180252 381331480 /nfs/dbraw/zinc/33/14/80/381331480.db2.gz NKUDILFMFMSIPP-OUAUKWLOSA-N 0 3 250.317 2.771 20 30 CFEDHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000290180245 381332150 /nfs/dbraw/zinc/33/21/50/381332150.db2.gz NKUDILFMFMSIPP-GMTAPVOTSA-N 0 3 250.317 2.771 20 30 CFEDHN C=CCCOCCNCc1cncc(Br)c1 ZINC000183754877 381315063 /nfs/dbraw/zinc/31/50/63/381315063.db2.gz DMTPGQNJUKPAHS-UHFFFAOYSA-N 0 3 285.185 2.526 20 30 CFEDHN C=CCCCNCc1cn(-c2ccccc2C)nn1 ZINC000290139745 381316303 /nfs/dbraw/zinc/31/63/03/381316303.db2.gz NVZGWPLQTBWZEC-UHFFFAOYSA-N 0 3 256.353 2.632 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@H](CC4CC4)C3)n2c1 ZINC000354523498 381320710 /nfs/dbraw/zinc/32/07/10/381320710.db2.gz CMVDEVGRYIARQP-CQSZACIVSA-N 0 3 280.375 2.828 20 30 CFEDHN C#C[C@@H](NCc1ccccc1NC(C)=O)C(C)(C)C ZINC000290283202 381369900 /nfs/dbraw/zinc/36/99/00/381369900.db2.gz ZIYIPHZCHDRIRV-OAHLLOKOSA-N 0 3 258.365 2.783 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)CC[C@H]1CCCO1 ZINC000342607968 381432335 /nfs/dbraw/zinc/43/23/35/381432335.db2.gz SACTUCVYVYQQCM-MRXNPFEDSA-N 0 3 261.340 2.678 20 30 CFEDHN C#Cc1ccc(CNC[C@](C)(O)c2cc(C)oc2C)cc1 ZINC000290463589 381439685 /nfs/dbraw/zinc/43/96/85/381439685.db2.gz UHPUXOIOXUUXAR-SFHVURJKSA-N 0 3 283.371 2.875 20 30 CFEDHN C=CCOCCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000348044964 381455974 /nfs/dbraw/zinc/45/59/74/381455974.db2.gz CDUKEFAJWVQGIY-UONOGXRCSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCOCCCN[C@H](c1nnc2ccccn21)C(C)C ZINC000348052205 381458443 /nfs/dbraw/zinc/45/84/43/381458443.db2.gz NHVPUJMENBKMNG-HNNXBMFYSA-N 0 3 288.395 2.609 20 30 CFEDHN C=CCOCCCN[C@](C)(CC)c1nccs1 ZINC000348054351 381458857 /nfs/dbraw/zinc/45/88/57/381458857.db2.gz XZKKPDOCJSIZRG-CYBMUJFWSA-N 0 3 254.399 2.951 20 30 CFEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCOC1 ZINC000348134343 381464379 /nfs/dbraw/zinc/46/43/79/381464379.db2.gz HCXJLQDKCHCCFN-HIFRSBDPSA-N 0 3 261.340 2.582 20 30 CFEDHN C=CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348184666 381469481 /nfs/dbraw/zinc/46/94/81/381469481.db2.gz KZOKUYPJSSSUEM-UHFFFAOYSA-N 0 3 276.336 2.872 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000348191868 381469644 /nfs/dbraw/zinc/46/96/44/381469644.db2.gz FXSBDRAQINPMMZ-CQSZACIVSA-N 0 3 294.370 2.657 20 30 CFEDHN CC[C@H](CN1CCC(Oc2cccc(C#N)c2)CC1)OC ZINC000412978442 381517025 /nfs/dbraw/zinc/51/70/25/381517025.db2.gz QFIMTJMXGXTMDR-OAHLLOKOSA-N 0 3 288.391 2.826 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000342720271 381498227 /nfs/dbraw/zinc/49/82/27/381498227.db2.gz KPHXQLBPEDMDAH-KBUPBQIOSA-N 0 3 266.429 2.824 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000342723893 381501378 /nfs/dbraw/zinc/50/13/78/381501378.db2.gz FFGOBXIGACJYRF-MNOVXSKESA-N 0 3 284.787 2.579 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)o1)c1cccc(Cl)c1 ZINC000185113992 381538945 /nfs/dbraw/zinc/53/89/45/381538945.db2.gz PLGYSXLQRYMZDS-OAHLLOKOSA-N 0 3 290.750 2.802 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CN1C1CC1 ZINC000290760026 381541382 /nfs/dbraw/zinc/54/13/82/381541382.db2.gz JZBDDQITGICMPH-MFKMUULPSA-N 0 3 286.335 2.504 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)CN1C1CC1 ZINC000290760028 381541449 /nfs/dbraw/zinc/54/14/49/381541449.db2.gz JZBDDQITGICMPH-ZWNOBZJWSA-N 0 3 286.335 2.504 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348382566 381542870 /nfs/dbraw/zinc/54/28/70/381542870.db2.gz KYDCERXKAAZARA-YJBOKZPZSA-N 0 3 299.418 2.909 20 30 CFEDHN Cn1cc(CN[C@H](c2cccnc2)C2CC2)cc1C#N ZINC000359674550 381547637 /nfs/dbraw/zinc/54/76/37/381547637.db2.gz PZSUSSJJBDLECK-INIZCTEOSA-N 0 3 266.348 2.533 20 30 CFEDHN C=CCCC1(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)CC1 ZINC000342759127 381522036 /nfs/dbraw/zinc/52/20/36/381522036.db2.gz OROSQHDACSOVFZ-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(C#N)cc2F)CC1 ZINC000413131018 381535718 /nfs/dbraw/zinc/53/57/18/381535718.db2.gz RUHMWKPBKNFGND-UHFFFAOYSA-N 0 3 274.343 2.545 20 30 CFEDHN C#C[C@H](NCc1ccccc1N1CCO[C@@H](C)C1)C(C)C ZINC000298043914 381577542 /nfs/dbraw/zinc/57/75/42/381577542.db2.gz HQEGINRCCVZQAF-RDJZCZTQSA-N 0 3 286.419 2.659 20 30 CFEDHN C=CCC[C@@H](C)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414318745 381579117 /nfs/dbraw/zinc/57/91/17/381579117.db2.gz QLMCVOZIJHKQHN-IUODEOHRSA-N 0 3 276.355 2.875 20 30 CFEDHN C=CCN(C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000297327953 381557856 /nfs/dbraw/zinc/55/78/56/381557856.db2.gz CQWGFBGBKOUDLU-CQSZACIVSA-N 0 3 260.381 2.530 20 30 CFEDHN C=CC(C)(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000297523896 381565211 /nfs/dbraw/zinc/56/52/11/381565211.db2.gz OTDWOOQCZACWBC-UHFFFAOYSA-N 0 3 287.407 2.626 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(Br)nc1 ZINC000290841858 381571787 /nfs/dbraw/zinc/57/17/87/381571787.db2.gz YPZCUVSNMNVIJO-JTQLQIEISA-N 0 3 299.237 2.861 20 30 CFEDHN CC#CCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000414430769 381584368 /nfs/dbraw/zinc/58/43/68/381584368.db2.gz MNIZHUVCIXUOBV-UHFFFAOYSA-N 0 3 271.339 2.823 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@H]1CCC[C@@H]1SCC ZINC000348478230 381584623 /nfs/dbraw/zinc/58/46/23/381584623.db2.gz LUXAFQRUDHGZIV-KBPBESRZSA-N 0 3 284.469 2.675 20 30 CFEDHN Cn1cc(CNCc2cc3ccccc3[nH]2)cc1C#N ZINC000359735401 381586869 /nfs/dbraw/zinc/58/68/69/381586869.db2.gz YBCJAIITCNYFOQ-UHFFFAOYSA-N 0 3 264.332 2.668 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000185295535 381589700 /nfs/dbraw/zinc/58/97/00/381589700.db2.gz MWPDPYFWFAGGHQ-MRXNPFEDSA-N 0 3 286.419 2.763 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1CCC[C@H]1OC(F)F ZINC000348527718 381611577 /nfs/dbraw/zinc/61/15/77/381611577.db2.gz IJQLTXMLSLFPCI-QWHCGFSZSA-N 0 3 296.317 2.817 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H]2CCC[C@H]2OC(F)F)c1 ZINC000348537384 381617156 /nfs/dbraw/zinc/61/71/56/381617156.db2.gz SUSYUUXVOKPLIZ-QWHCGFSZSA-N 0 3 284.281 2.947 20 30 CFEDHN N#Cc1ncccc1NCC1CCN(c2ccncc2)CC1 ZINC000291019406 381635264 /nfs/dbraw/zinc/63/52/64/381635264.db2.gz XGTUWJPKZDSWAD-UHFFFAOYSA-N 0 3 293.374 2.677 20 30 CFEDHN C=CCN1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000371549086 381656420 /nfs/dbraw/zinc/65/64/20/381656420.db2.gz HSCCMJKXGMPQAX-UHFFFAOYSA-N 0 3 294.402 2.842 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1C1CCC1 ZINC000343113707 381664087 /nfs/dbraw/zinc/66/40/87/381664087.db2.gz MAPAUGOGTUEKSQ-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN CO[C@@](C)(CNCc1ccc(C#N)cc1F)C1CC1 ZINC000291058034 381650403 /nfs/dbraw/zinc/65/04/03/381650403.db2.gz OQRMWMUGMXWTDT-HNNXBMFYSA-N 0 3 262.328 2.602 20 30 CFEDHN C=CCCN(C)Cc1cn(-c2ccncc2)nc1C ZINC000343447177 381715891 /nfs/dbraw/zinc/71/58/91/381715891.db2.gz SHMUHPDJONYAEB-UHFFFAOYSA-N 0 3 256.353 2.584 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343391680 381683156 /nfs/dbraw/zinc/68/31/56/381683156.db2.gz FDBMESRRDNQEGI-GJZGRUSLSA-N 0 3 285.372 2.635 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H]2c2cccnc2)c1 ZINC000343402900 381688561 /nfs/dbraw/zinc/68/85/61/381688561.db2.gz PAJKGANFHGONIE-SJORKVTESA-N 0 3 279.343 2.573 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)N1CCc2ccc(C#N)cc21 ZINC000355257412 381706569 /nfs/dbraw/zinc/70/65/69/381706569.db2.gz UQJAODKBVNEFCF-HNNXBMFYSA-N 0 3 285.391 2.614 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000372003563 381734248 /nfs/dbraw/zinc/73/42/48/381734248.db2.gz ORPCUOMAYOZXMF-KRWDZBQOSA-N 0 3 298.430 2.769 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000343478380 381741738 /nfs/dbraw/zinc/74/17/38/381741738.db2.gz QPBRWUOIBIIWEJ-JQWIXIFHSA-N 0 3 292.814 2.834 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000185824346 381745691 /nfs/dbraw/zinc/74/56/91/381745691.db2.gz GNXRTAWKNUFICA-CQSZACIVSA-N 0 3 278.396 2.772 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000355319392 381749979 /nfs/dbraw/zinc/74/99/79/381749979.db2.gz RAYQOYWWTJXZTA-ZFWWWQNUSA-N 0 3 293.374 2.596 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000185838289 381751053 /nfs/dbraw/zinc/75/10/53/381751053.db2.gz SHEXYVHTYHWLCX-WMZOPIPTSA-N 0 3 298.430 2.959 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C3CC3)C2)c1C#N ZINC000343503259 381756511 /nfs/dbraw/zinc/75/65/11/381756511.db2.gz ABTFVTDEKUFCEX-SNVBAGLBSA-N 0 3 276.771 2.564 20 30 CFEDHN Cc1ccnc(NCCN(C)Cc2ccc(F)cc2)c1C#N ZINC000343504911 381756607 /nfs/dbraw/zinc/75/66/07/381756607.db2.gz CSXOEGYWHNLCAF-UHFFFAOYSA-N 0 3 298.365 2.945 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)C1(c2ccccc2)CCCC1 ZINC000185958848 381787856 /nfs/dbraw/zinc/78/78/56/381787856.db2.gz DMWBFYSBTGXMMS-OAHLLOKOSA-N 0 3 286.419 2.779 20 30 CFEDHN CN(C)[C@@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000355626523 381788219 /nfs/dbraw/zinc/78/82/19/381788219.db2.gz VZHYBMCXEJVRLC-IAGOWNOFSA-N 0 3 299.418 2.627 20 30 CFEDHN Cc1ccnc(NC[C@@H](C)N2CCCC[C@@H]2C)c1C#N ZINC000343512951 381763609 /nfs/dbraw/zinc/76/36/09/381763609.db2.gz PMVFBSLHNKGENF-UONOGXRCSA-N 0 3 272.396 2.937 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000360123087 381766592 /nfs/dbraw/zinc/76/65/92/381766592.db2.gz FYVIWZRJTAQQTR-STQMWFEESA-N 0 3 274.364 2.634 20 30 CFEDHN C[C@H](NCCc1cccc(C#N)c1)c1nccs1 ZINC000343517821 381766976 /nfs/dbraw/zinc/76/69/76/381766976.db2.gz RZJNTUZZJDZLSV-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN COc1ccccc1N1CC[C@@H](C)N(CCCC#N)CC1 ZINC000372197254 381773164 /nfs/dbraw/zinc/77/31/64/381773164.db2.gz MVOSLNLPFZBJOJ-OAHLLOKOSA-N 0 3 287.407 2.900 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000360256548 381773510 /nfs/dbraw/zinc/77/35/10/381773510.db2.gz LWJWAOJDKQBEEV-VHDGCEQUSA-N 0 3 286.375 2.851 20 30 CFEDHN Cc1c(Cl)cnc(N(C)C[C@H]2CCCN(C)C2)c1C#N ZINC000343535898 381780673 /nfs/dbraw/zinc/78/06/73/381780673.db2.gz SSBFYQFCLLUNEG-LBPRGKRZSA-N 0 3 292.814 2.693 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000361351013 381821182 /nfs/dbraw/zinc/82/11/82/381821182.db2.gz JSNLLCYLSMNRPE-GRYCIOLGSA-N 0 3 260.312 2.738 20 30 CFEDHN CC#CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000361346659 381821296 /nfs/dbraw/zinc/82/12/96/381821296.db2.gz PIQRFQAISUCBCG-NVXWUHKLSA-N 0 3 299.418 2.535 20 30 CFEDHN C#CCCCCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186104171 381824832 /nfs/dbraw/zinc/82/48/32/381824832.db2.gz ZIVHLJAPAPOTIH-OAHLLOKOSA-N 0 3 293.432 2.550 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCC[C@H](CC)C2)C1=O ZINC000343597735 381828133 /nfs/dbraw/zinc/82/81/33/381828133.db2.gz DKOZEUAERSQYHH-XHSDSOJGSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCC[C@@H](CC)C2)C1=O ZINC000343597734 381828322 /nfs/dbraw/zinc/82/83/22/381828322.db2.gz DKOZEUAERSQYHH-PMPSAXMXSA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@@H]1[C@H](Nc2nc3c(cc2C#N)CCCC3)CCCN1C ZINC000343603240 381831985 /nfs/dbraw/zinc/83/19/85/381831985.db2.gz RPVFSHAJTUXUKB-IUODEOHRSA-N 0 3 284.407 2.727 20 30 CFEDHN COCCOc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000361465979 381832468 /nfs/dbraw/zinc/83/24/68/381832468.db2.gz YNXHYBGTSDJWRQ-GDBMZVCRSA-N 0 3 288.391 2.884 20 30 CFEDHN CCc1nccc([C@@H]2CCCN(CCCCC#N)C2)n1 ZINC000372551118 381833437 /nfs/dbraw/zinc/83/34/37/381833437.db2.gz AIRLECKCHOSZTF-CQSZACIVSA-N 0 3 272.396 2.912 20 30 CFEDHN C=CCCC[C@H](C)N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000361510925 381837741 /nfs/dbraw/zinc/83/77/41/381837741.db2.gz MUQNHYZVZUBBQA-KKUMJFAQSA-N 0 3 253.386 2.611 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000343564270 381801081 /nfs/dbraw/zinc/80/10/81/381801081.db2.gz RHSSYRYMSGEEEZ-ZMSDIMECSA-N 0 3 286.419 2.945 20 30 CFEDHN CCN(Cc1cccc(OCCCC#N)c1)[C@H]1CCOC1 ZINC000361252523 381816309 /nfs/dbraw/zinc/81/63/09/381816309.db2.gz PEXQNLNFGKWBNC-INIZCTEOSA-N 0 3 288.391 2.980 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000362037436 381881298 /nfs/dbraw/zinc/88/12/98/381881298.db2.gz IAOLOMYUYHNTLL-XQHKEYJVSA-N 0 3 254.761 2.568 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000186322904 381881368 /nfs/dbraw/zinc/88/13/68/381881368.db2.gz WDEFFYSQBUJILN-HNNXBMFYSA-N 0 3 299.418 2.861 20 30 CFEDHN CN(C)[C@@H](CC(=O)N[C@H](C#N)C(C)(C)C)c1ccccc1 ZINC000416170360 381882047 /nfs/dbraw/zinc/88/20/47/381882047.db2.gz JYGZNTQDNPRZMN-LSDHHAIUSA-N 0 3 287.407 2.734 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H](CC)c2ccccc2)C1=O ZINC000343628730 381853745 /nfs/dbraw/zinc/85/37/45/381853745.db2.gz WWPFXERPYKKPIR-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@H](C(=O)NCC1(N(C)C)CC1)c1ccccc1 ZINC000416306547 381886224 /nfs/dbraw/zinc/88/62/24/381886224.db2.gz GOTYPQWISKKQON-HNNXBMFYSA-N 0 3 272.392 2.557 20 30 CFEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(CC#N)cc1 ZINC000343644710 381865977 /nfs/dbraw/zinc/86/59/77/381865977.db2.gz DAPHILIHEOGXBG-CYBMUJFWSA-N 0 3 274.364 2.526 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)C2CCCCC2)s1 ZINC000292855179 381866758 /nfs/dbraw/zinc/86/67/58/381866758.db2.gz AHLGQMHKEFYHDH-ZDUSSCGKSA-N 0 3 278.421 2.898 20 30 CFEDHN C#CCNC(=O)CCN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000292863310 381870873 /nfs/dbraw/zinc/87/08/73/381870873.db2.gz RSFPARPSEQMQNQ-HIFRSBDPSA-N 0 3 288.391 2.501 20 30 CFEDHN CN1CCN(c2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000343659515 381873456 /nfs/dbraw/zinc/87/34/56/381873456.db2.gz AWDGFBQVSNJZHX-IBGZPJMESA-N 0 3 291.398 2.921 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343704008 381897965 /nfs/dbraw/zinc/89/79/65/381897965.db2.gz DHUWNBBYAYBPAV-GJZGRUSLSA-N 0 3 271.408 2.667 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000292934444 381909468 /nfs/dbraw/zinc/90/94/68/381909468.db2.gz ZRXBBJQBYJNDDP-SFHVURJKSA-N 0 3 297.402 2.683 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000292934440 381909669 /nfs/dbraw/zinc/90/96/69/381909669.db2.gz ZRXBBJQBYJNDDP-GOSISDBHSA-N 0 3 297.402 2.683 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343766168 381930727 /nfs/dbraw/zinc/93/07/27/381930727.db2.gz CXVVQGBBPDFTHR-UKRRQHHQSA-N 0 3 264.413 2.864 20 30 CFEDHN C=CCN1CC[C@H](NC(C)(C)c2ccccc2C)C1=O ZINC000292952013 381919839 /nfs/dbraw/zinc/91/98/39/381919839.db2.gz IUZAMORKFNIMTJ-HNNXBMFYSA-N 0 3 272.392 2.607 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000343765619 381931027 /nfs/dbraw/zinc/93/10/27/381931027.db2.gz CXVVQGBBPDFTHR-DZGCQCFKSA-N 0 3 264.413 2.864 20 30 CFEDHN COc1ccc(CN2CCCO[C@H](C(C)C)C2)cc1C#N ZINC000293029429 381956654 /nfs/dbraw/zinc/95/66/54/381956654.db2.gz GDDBNCPHXVUIGC-KRWDZBQOSA-N 0 3 288.391 2.814 20 30 CFEDHN C[C@H]1CCC[C@H](CN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000357011027 381963156 /nfs/dbraw/zinc/96/31/56/381963156.db2.gz XIKBBKSUIXQVDB-HOTGVXAUSA-N 0 3 298.434 2.902 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@H](C)c2ccccc2)CC1 ZINC000299529169 381971055 /nfs/dbraw/zinc/97/10/55/381971055.db2.gz BKZBXDSOMGCNKP-INIZCTEOSA-N 0 3 298.430 2.642 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2c3ccccc3CC[C@@H]2CO)C1 ZINC000373211566 381951153 /nfs/dbraw/zinc/95/11/53/381951153.db2.gz VLLKTHDUUGSEFN-NYCLONFESA-N 0 3 284.403 2.954 20 30 CFEDHN Cc1cc(N(C)CCCN(C)Cc2ccco2)cc(C#N)n1 ZINC000343802853 381951802 /nfs/dbraw/zinc/95/18/02/381951802.db2.gz FGRLHEBSCNMUIY-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)CC#Cc1ccc(F)cc1 ZINC000343873145 381996831 /nfs/dbraw/zinc/99/68/31/381996831.db2.gz HDAUZSBYVLMKJA-UHFFFAOYSA-N 0 3 291.366 2.841 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCN(C)C1CC1 ZINC000186758615 382003936 /nfs/dbraw/zinc/00/39/36/382003936.db2.gz BAYOFCGTGNUSDR-ZDUSSCGKSA-N 0 3 257.381 2.645 20 30 CFEDHN C=C(C)CNC1(C(=O)N(CC)CC)CCCCC1 ZINC000350126783 382006500 /nfs/dbraw/zinc/00/65/00/382006500.db2.gz QRRZYCZNQBOVMQ-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc2c(c1)oc(=O)n2C ZINC000350174983 382008877 /nfs/dbraw/zinc/00/88/77/382008877.db2.gz FFLMLPBQBJEJQK-UHFFFAOYSA-N 0 3 260.337 2.530 20 30 CFEDHN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)ccn1 ZINC000299639463 382011875 /nfs/dbraw/zinc/01/18/75/382011875.db2.gz KDAIUYAMUROQPC-HNNXBMFYSA-N 0 3 282.347 2.795 20 30 CFEDHN N#Cc1cc(F)c(NC2CCN(C3CC3)CC2)c(F)c1 ZINC000299645148 382013719 /nfs/dbraw/zinc/01/37/19/382013719.db2.gz FBZFUJXTEPSIJM-UHFFFAOYSA-N 0 3 277.318 2.875 20 30 CFEDHN CC(C)(CO)[C@@H](NCc1cc(C#N)ccc1F)C1CC1 ZINC000293063360 381974726 /nfs/dbraw/zinc/97/47/26/381974726.db2.gz NRWXPAIXRXHLTN-HNNXBMFYSA-N 0 3 276.355 2.584 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CCC)CC1 ZINC000373356145 381984683 /nfs/dbraw/zinc/98/46/83/381984683.db2.gz ZRXJCSNXTCTEOR-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186701489 381989331 /nfs/dbraw/zinc/98/93/31/381989331.db2.gz HONOGXLFVSPFFG-WFASDCNBSA-N 0 3 275.392 2.859 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000357050530 381989620 /nfs/dbraw/zinc/98/96/20/381989620.db2.gz AVJAQGHROFEDAM-QUBYGPBYSA-N 0 3 292.207 2.844 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)C/C=C\C)cc1 ZINC000349792910 381991085 /nfs/dbraw/zinc/99/10/85/381991085.db2.gz SVRYYIMYYHBKBN-UYWPIULCSA-N 0 3 261.365 2.668 20 30 CFEDHN CCOc1cc(CN[C@H]2CC[C@H](C#N)C2)ccc1OC ZINC000349806353 381991513 /nfs/dbraw/zinc/99/15/13/381991513.db2.gz YKHZYHBLGRFZHI-JSGCOSHPSA-N 0 3 274.364 2.876 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2-n2cccn2)C1 ZINC000349798606 381991676 /nfs/dbraw/zinc/99/16/76/381991676.db2.gz FWGOLGWMAIEJNN-HIFRSBDPSA-N 0 3 266.348 2.654 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000375141920 382068766 /nfs/dbraw/zinc/06/87/66/382068766.db2.gz PZZVTCLXBYTWNV-CQSZACIVSA-N 0 3 262.353 2.629 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000343984298 382048521 /nfs/dbraw/zinc/04/85/21/382048521.db2.gz LMYAMNQGRZFUDP-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CC#Cc2ccccc2)CCO)C1 ZINC000351630056 382050302 /nfs/dbraw/zinc/05/03/02/382050302.db2.gz QRFAWOPLMMBHMV-NVXWUHKLSA-N 0 3 257.377 2.521 20 30 CFEDHN Cc1cc(NCC2(CC#N)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000362360204 382024180 /nfs/dbraw/zinc/02/41/80/382024180.db2.gz STHUJTYWVFQWQH-UHFFFAOYSA-N 0 3 296.330 2.979 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@@H]1O ZINC000186843374 382028336 /nfs/dbraw/zinc/02/83/36/382028336.db2.gz GNNZQUVRPDMQAI-CJNGLKHVSA-N 0 3 272.392 2.690 20 30 CFEDHN C[C@@H]1C[C@H]1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000351472498 382040701 /nfs/dbraw/zinc/04/07/01/382040701.db2.gz PAHYPBVGRMUXQY-PVAVHDDUSA-N 0 3 269.392 2.525 20 30 CFEDHN C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000344069291 382106402 /nfs/dbraw/zinc/10/64/02/382106402.db2.gz QWQNYBRJLCKDQS-AWEZNQCLSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCOCCN(CC)Cc1ccc(OC)c(OC)c1 ZINC000293447989 382128092 /nfs/dbraw/zinc/12/80/92/382128092.db2.gz KKEKTTHIRGHBOQ-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@](C)(O)CC2)cc1 ZINC000376018532 382115566 /nfs/dbraw/zinc/11/55/66/382115566.db2.gz JJRUJFKGZSAKOP-RHSMWYFYSA-N 0 3 288.391 2.714 20 30 CFEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](C2CC2)O1 ZINC000376019251 382117624 /nfs/dbraw/zinc/11/76/24/382117624.db2.gz OEDAYVKSCPDBRM-OCCSQVGLSA-N 0 3 250.386 2.816 20 30 CFEDHN N#Cc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC000301067223 382072089 /nfs/dbraw/zinc/07/20/89/382072089.db2.gz CRRQMTYSPUFOEJ-UHFFFAOYSA-N 0 3 291.398 2.923 20 30 CFEDHN C#CCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375291431 382076945 /nfs/dbraw/zinc/07/69/45/382076945.db2.gz GZRKBYZZFPYPAB-UHFFFAOYSA-N 0 3 264.319 2.500 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1cccc(F)c1C#N ZINC000301262839 382126622 /nfs/dbraw/zinc/12/66/22/382126622.db2.gz VPHIPVOVCNJVCG-GFCCVEGCSA-N 0 3 261.344 2.984 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000375407163 382084144 /nfs/dbraw/zinc/08/41/44/382084144.db2.gz VVBVBSVEWSYZPR-CYBMUJFWSA-N 0 3 275.400 2.704 20 30 CFEDHN CCCCCCCCC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000375500093 382088682 /nfs/dbraw/zinc/08/86/82/382088682.db2.gz XGWIAKIFLHBIAH-INIZCTEOSA-N 0 3 298.471 2.652 20 30 CFEDHN CC[C@@H](C(=O)NC1(c2cccc(C#N)c2)CC1)N(CC)CC ZINC000357300750 382094227 /nfs/dbraw/zinc/09/42/27/382094227.db2.gz BZQLSOFTSYPSOG-INIZCTEOSA-N 0 3 299.418 2.784 20 30 CFEDHN N#Cc1cc2c(nc1N1CC[C@@H](N3CCCC3)C1)CCCC2 ZINC000301191806 382101244 /nfs/dbraw/zinc/10/12/44/382101244.db2.gz WWMLRZZLTBFBRM-MRXNPFEDSA-N 0 3 296.418 2.507 20 30 CFEDHN CN(C)[C@@H](CNc1cccnc1C#N)Cc1ccccc1 ZINC000357313478 382101784 /nfs/dbraw/zinc/10/17/84/382101784.db2.gz JSRJGNFXYVYYNX-OAHLLOKOSA-N 0 3 280.375 2.538 20 30 CFEDHN CC1=CCN(CCNc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000357449121 382176419 /nfs/dbraw/zinc/17/64/19/382176419.db2.gz BPXYALIQBJHWDU-UHFFFAOYSA-N 0 3 286.335 2.530 20 30 CFEDHN CN(CCOc1ccccc1)CCOc1ccc(C#N)cc1 ZINC000301605497 382180455 /nfs/dbraw/zinc/18/04/55/382180455.db2.gz MTWDFWPZERXRJA-UHFFFAOYSA-N 0 3 296.370 2.948 20 30 CFEDHN CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000357355039 382129727 /nfs/dbraw/zinc/12/97/27/382129727.db2.gz NNPDXLXHYIXXFC-HOCLYGCPSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCOCCN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000293540934 382163678 /nfs/dbraw/zinc/16/36/78/382163678.db2.gz KGTDIKBNWDTPKD-SFHVURJKSA-N 0 3 289.419 2.506 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418653358 382170074 /nfs/dbraw/zinc/17/00/74/382170074.db2.gz OHRWKEFYICXHOA-WFASDCNBSA-N 0 3 275.396 2.513 20 30 CFEDHN C[C@@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000187518441 382201298 /nfs/dbraw/zinc/20/12/98/382201298.db2.gz ADOPYXJFGXSTHV-CYBMUJFWSA-N 0 3 268.364 2.828 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CCC[C@H](N3CCCC3)C2)c1 ZINC000302054240 382204054 /nfs/dbraw/zinc/20/40/54/382204054.db2.gz YTDIDDGEQQXQOL-KRWDZBQOSA-N 0 3 297.402 2.825 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@](C)(CC)C1 ZINC000344234239 382219085 /nfs/dbraw/zinc/21/90/85/382219085.db2.gz JCQOKVIOCGGEML-HOCLYGCPSA-N 0 3 266.429 2.922 20 30 CFEDHN Cc1ccc(N[C@@H](C)CN2CCCCC2)nc1C#N ZINC000302660773 382284753 /nfs/dbraw/zinc/28/47/53/382284753.db2.gz OWPITXJHCZBEFO-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN Cc1ccc(N[C@H](C)CN2CCCCC2)nc1C#N ZINC000302660771 382285068 /nfs/dbraw/zinc/28/50/68/382285068.db2.gz OWPITXJHCZBEFO-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN CCN1C[C@@H](C)N(c2ccc(F)cc2C#N)C[C@H]1C ZINC000345165574 382288821 /nfs/dbraw/zinc/28/88/21/382288821.db2.gz AVNRNOBHKDEVMO-VXGBXAGGSA-N 0 3 261.344 2.616 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000344271731 382241711 /nfs/dbraw/zinc/24/17/11/382241711.db2.gz AHWWOUSDCNLWBP-NZVBXONLSA-N 0 3 276.355 2.846 20 30 CFEDHN CCOC[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187709610 382253426 /nfs/dbraw/zinc/25/34/26/382253426.db2.gz CHWHHVPAXJEGHW-ZFWWWQNUSA-N 0 3 258.365 2.978 20 30 CFEDHN C=C(C)[C@H](NC[C@H](O)CC)c1ccc(F)c(F)c1 ZINC000187766640 382264708 /nfs/dbraw/zinc/26/47/08/382264708.db2.gz XRXIAULFSDEDHA-RISCZKNCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)CCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000352402572 382310262 /nfs/dbraw/zinc/31/02/62/382310262.db2.gz OSMOQIIRWIXLMS-WDEREUQCSA-N 0 3 251.292 2.588 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419391732 382313000 /nfs/dbraw/zinc/31/30/00/382313000.db2.gz KFOWIVKIFKKJEP-LXTVHRRPSA-N 0 3 291.439 2.694 20 30 CFEDHN CC(C#N)C(=O)NCCCSc1ccc(F)cc1 ZINC000345793025 382313721 /nfs/dbraw/zinc/31/37/21/382313721.db2.gz HIJBENXDAREFHN-JTQLQIEISA-N 0 3 266.341 2.584 20 30 CFEDHN CCN(Cc1ccc(Cl)s1)C(=O)C(C)C#N ZINC000357787651 382322428 /nfs/dbraw/zinc/32/24/28/382322428.db2.gz BIUPDLKXFDKKFG-QMMMGPOBSA-N 0 3 256.758 2.910 20 30 CFEDHN CC(C)(C#N)CCNC(C)(C)C(=O)NCC1CCCC1 ZINC000345961217 382325108 /nfs/dbraw/zinc/32/51/08/382325108.db2.gz LEUUBVPHPVHRJO-UHFFFAOYSA-N 0 3 279.428 2.601 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000345959786 382325517 /nfs/dbraw/zinc/32/55/17/382325517.db2.gz ZGRKUCRNXGYNTA-CYBMUJFWSA-N 0 3 287.411 2.801 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000352436595 382332800 /nfs/dbraw/zinc/33/28/00/382332800.db2.gz ADXBOYQCWMOZFV-GDBMZVCRSA-N 0 3 264.413 2.676 20 30 CFEDHN CC(C#N)C(=O)N(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000346273401 382339300 /nfs/dbraw/zinc/33/93/00/382339300.db2.gz DBNYXTVDTGBWSM-SHWKFHJASA-N 0 3 278.396 2.732 20 30 CFEDHN C=C[C@H](CO)NCc1cc(Cl)cc2cccnc21 ZINC000352455115 382341873 /nfs/dbraw/zinc/34/18/73/382341873.db2.gz XNPZAWHZOAYOEW-CYBMUJFWSA-N 0 3 262.740 2.525 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000357739611 382299557 /nfs/dbraw/zinc/29/95/57/382299557.db2.gz ILVOTJCKMJFCNT-HUUCEWRRSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OCc1ccccn1 ZINC000680484187 542330780 /nfs/dbraw/zinc/33/07/80/542330780.db2.gz GRIJMEFPTXBBNJ-MRXNPFEDSA-N 0 3 298.386 2.687 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCCC(CC)(CC)CC1 ZINC000346470032 382377235 /nfs/dbraw/zinc/37/72/35/382377235.db2.gz MLKHLWHRRHCQHV-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN CC(C)[C@@H](NCCCCC(C)(C)C#N)c1nncn1C ZINC000352464772 382347253 /nfs/dbraw/zinc/34/72/53/382347253.db2.gz XCHPXVCVXHDSSI-CYBMUJFWSA-N 0 3 277.416 2.822 20 30 CFEDHN C=CCC[C@@H](O)CNC(C)(C)c1nc(C)c(C)s1 ZINC000305074162 382422672 /nfs/dbraw/zinc/42/26/72/382422672.db2.gz KMDIDMHCNKUTDI-GFCCVEGCSA-N 0 3 268.426 2.912 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000378246900 382423738 /nfs/dbraw/zinc/42/37/38/382423738.db2.gz JQQHPFCGIVIAJW-AWEZNQCLSA-N 0 3 296.374 2.670 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC2(CC2)CC1 ZINC000378328679 382436649 /nfs/dbraw/zinc/43/66/49/382436649.db2.gz WSTGWGSTDGMKLO-UHFFFAOYSA-N 0 3 286.375 2.822 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1c(Cl)cccc1C#N ZINC000420637425 382438172 /nfs/dbraw/zinc/43/81/72/382438172.db2.gz ONCAKWFDPKMZNR-GFCCVEGCSA-N 0 3 263.772 2.742 20 30 CFEDHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1ccc(C#N)cc1F ZINC000305841639 382448677 /nfs/dbraw/zinc/44/86/77/382448677.db2.gz ZMDULHUNVLRIMM-NORZTCDRSA-N 0 3 276.355 2.899 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000305784334 382446252 /nfs/dbraw/zinc/44/62/52/382446252.db2.gz WWLSCGPUEODYTJ-WCQYABFASA-N 0 3 267.344 2.812 20 30 CFEDHN CC[C@@H](C)[C@@](C)(O)CNCc1cc(C#N)cs1 ZINC000304614414 382414093 /nfs/dbraw/zinc/41/40/93/382414093.db2.gz GCAOSLGNGJTXSP-MFKMUULPSA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C)N(CC#Cc1ccc(Cl)cc1)C[C@H](C)O ZINC000304787903 382417323 /nfs/dbraw/zinc/41/73/23/382417323.db2.gz JCLRWVLDMCECJZ-ZDUSSCGKSA-N 0 3 265.784 2.783 20 30 CFEDHN C=CCOCCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000294290367 382496096 /nfs/dbraw/zinc/49/60/96/382496096.db2.gz WJPMUNOOXXHKFW-UHFFFAOYSA-N 0 3 289.419 2.506 20 30 CFEDHN CN1CCC[C@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352836455 382478165 /nfs/dbraw/zinc/47/81/65/382478165.db2.gz UNRTZYXZMRJYGG-ZDUSSCGKSA-N 0 3 297.324 2.761 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC(CC)CC)CC1 ZINC000358182593 382492032 /nfs/dbraw/zinc/49/20/32/382492032.db2.gz CVKUCZXVBAMEKJ-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN CC#CCCN1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420922884 382499061 /nfs/dbraw/zinc/49/90/61/382499061.db2.gz GPTIGNZOSOQVKO-ZIAGYGMSSA-N 0 3 265.397 2.842 20 30 CFEDHN C=C(C)[C@@H](NC[C@@H](O)CSC)c1ccc(F)c(F)c1 ZINC000188891188 382500100 /nfs/dbraw/zinc/50/01/00/382500100.db2.gz ISJDLZKPBURZPE-BXUZGUMPSA-N 0 3 287.375 2.896 20 30 CFEDHN C=C(C)CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000366371427 382500359 /nfs/dbraw/zinc/50/03/59/382500359.db2.gz AVWIHFAKUVVHEE-QWHCGFSZSA-N 0 3 266.385 2.504 20 30 CFEDHN CN(CC(C)(C)C#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000353164946 382506671 /nfs/dbraw/zinc/50/66/71/382506671.db2.gz RJFLEDHOULKFKD-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN C#CCO[C@H](C)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000294315769 382506607 /nfs/dbraw/zinc/50/66/07/382506607.db2.gz JSCOOWLAOFAOGS-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000421021542 382507262 /nfs/dbraw/zinc/50/72/62/382507262.db2.gz OLTPDCJERRJNAT-APIJFGDWSA-N 0 3 292.423 2.978 20 30 CFEDHN C[C@H](N[C@H]1CCCN(C)[C@H]1C)c1ccc(C#N)cc1F ZINC000346796619 382515505 /nfs/dbraw/zinc/51/55/05/382515505.db2.gz NFOZYVYAWQZQMJ-MKBNYLNASA-N 0 3 275.371 2.831 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc2c(c1)COC2 ZINC000358287898 382548670 /nfs/dbraw/zinc/54/86/70/382548670.db2.gz MPZLNIHPKCNEBQ-ZDUSSCGKSA-N 0 3 261.365 2.960 20 30 CFEDHN C[C@@H]1CCCN(CCNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328649178 382560320 /nfs/dbraw/zinc/56/03/20/382560320.db2.gz IPNSFHDCEJMNOO-KGLIPLIRSA-N 0 3 295.427 2.964 20 30 CFEDHN C[C@@H](N[C@@H](C)Cc1cnn(C)c1)c1ccc(C#N)cc1F ZINC000346892503 382562452 /nfs/dbraw/zinc/56/24/52/382562452.db2.gz XOSQBBWQZLXSPA-NWDGAFQWSA-N 0 3 286.354 2.713 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2CN(C)Cc3ccccc32)cc1 ZINC000367307741 382564615 /nfs/dbraw/zinc/56/46/15/382564615.db2.gz KVJPARZSDFNVKD-LJQANCHMSA-N 0 3 276.383 2.944 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](O)C1CCC1 ZINC000316831014 382530417 /nfs/dbraw/zinc/53/04/17/382530417.db2.gz VRSAHYYSPMSHGF-OAHLLOKOSA-N 0 3 261.365 2.502 20 30 CFEDHN COc1ccc([C@H](C)NCCCC#N)cc1NC(C)=O ZINC000346822669 382530647 /nfs/dbraw/zinc/53/06/47/382530647.db2.gz HESXRIDJAIUWOW-NSHDSACASA-N 0 3 275.352 2.608 20 30 CFEDHN N#Cc1c(Cl)nsc1N1CCC[C@H]1CN1CCCC1 ZINC000189074850 382536340 /nfs/dbraw/zinc/53/63/40/382536340.db2.gz NCLOIPIALSNZPH-JTQLQIEISA-N 0 3 296.827 2.733 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000346955795 382584798 /nfs/dbraw/zinc/58/47/98/382584798.db2.gz YSHHYYBOEDMNJD-AWEZNQCLSA-N 0 3 253.773 2.751 20 30 CFEDHN COc1cc(CN[C@H]2CC23CCCC3)ccc1C#N ZINC000387317640 382597358 /nfs/dbraw/zinc/59/73/58/382597358.db2.gz QPRMNCVQUHXBJU-HNNXBMFYSA-N 0 3 256.349 2.989 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000295243623 382597363 /nfs/dbraw/zinc/59/73/63/382597363.db2.gz SYTIUXOTGFKCAN-VNHYZAJKSA-N 0 3 261.365 2.907 20 30 CFEDHN C=CCC[C@H](C(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000189494037 382616047 /nfs/dbraw/zinc/61/60/47/382616047.db2.gz HRJZLMRWWYAQEI-SJORKVTESA-N 0 3 286.419 2.947 20 30 CFEDHN COc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000189589646 382627481 /nfs/dbraw/zinc/62/74/81/382627481.db2.gz UUULQHUOZCCYPW-LBPRGKRZSA-N 0 3 299.374 2.765 20 30 CFEDHN C=C(C)COc1cc(CN(C)[C@@H](CC)CO)ccc1OC ZINC000295202735 382582020 /nfs/dbraw/zinc/58/20/20/382582020.db2.gz YWSLVFXPEHHVOL-HNNXBMFYSA-N 0 3 293.407 2.853 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(C2OCCO2)CC1 ZINC000189862215 382643032 /nfs/dbraw/zinc/64/30/32/382643032.db2.gz SBLRCTFIYNFGDA-CYBMUJFWSA-N 0 3 286.375 2.704 20 30 CFEDHN C[C@@H]1CSCCN(CCOc2ccccc2C#N)C1 ZINC000190472195 382670090 /nfs/dbraw/zinc/67/00/90/382670090.db2.gz VKURSZMUEOSLJR-ZDUSSCGKSA-N 0 3 276.405 2.622 20 30 CFEDHN C#CCCCC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000190498863 382671106 /nfs/dbraw/zinc/67/11/06/382671106.db2.gz RLKVBGDJEVDYAH-UHFFFAOYSA-N 0 3 286.419 2.817 20 30 CFEDHN C[C@H]1CCN(Cc2cc(C#N)cs2)CCS1 ZINC000190690849 382677888 /nfs/dbraw/zinc/67/78/88/382677888.db2.gz GJEIGIIJKINMOQ-JTQLQIEISA-N 0 3 252.408 2.947 20 30 CFEDHN CC1(C)CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000191305983 382698276 /nfs/dbraw/zinc/69/82/76/382698276.db2.gz NSJWMQIVIKFTQI-CQSZACIVSA-N 0 3 271.364 2.665 20 30 CFEDHN C=C(C)COCCNCc1ccc(N(C)C(C)C)nc1 ZINC000191335682 382698564 /nfs/dbraw/zinc/69/85/64/382698564.db2.gz DAFGKGBQDYUXPQ-UHFFFAOYSA-N 0 3 277.412 2.609 20 30 CFEDHN Cc1ccc(NCc2cc(C#N)n(C)c2)c(CN(C)C)c1 ZINC000191431440 382700210 /nfs/dbraw/zinc/70/02/10/382700210.db2.gz WYUKJYUQSBQCNI-UHFFFAOYSA-N 0 3 282.391 2.879 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@H](COC)Cc1ccccc1 ZINC000191506865 382701270 /nfs/dbraw/zinc/70/12/70/382701270.db2.gz HTCKPDOKBAWLPX-DLBZAZTESA-N 0 3 277.408 2.503 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@H](CO)C2)cc1Cl ZINC000191732227 382702257 /nfs/dbraw/zinc/70/22/57/382702257.db2.gz ZVHVSODFSGGHGN-OCCSQVGLSA-N 0 3 295.810 2.965 20 30 CFEDHN C=CCN(CCOC)Cc1cc(C)c(OC)c(C)c1 ZINC000191761452 382702415 /nfs/dbraw/zinc/70/24/15/382702415.db2.gz ZJUWHTYKLBVLBY-UHFFFAOYSA-N 0 3 263.381 2.946 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(OC(F)F)cc1 ZINC000191764546 382702429 /nfs/dbraw/zinc/70/24/29/382702429.db2.gz SHSWLZWOZRXFNT-UHFFFAOYSA-N 0 3 271.307 2.922 20 30 CFEDHN CN(C1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192530714 382709947 /nfs/dbraw/zinc/70/99/47/382709947.db2.gz NGIABMKKSWUCFL-QGZVFWFLSA-N 0 3 297.402 2.928 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccccc1 ZINC000192629270 382710732 /nfs/dbraw/zinc/71/07/32/382710732.db2.gz XJJGJDRNVWLFEY-GOSISDBHSA-N 0 3 280.371 2.594 20 30 CFEDHN C[C@@H](NC[C@@H](O)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000192959368 382714056 /nfs/dbraw/zinc/71/40/56/382714056.db2.gz JLIGHRZHADIZSL-RDTXWAMCSA-N 0 3 296.370 2.973 20 30 CFEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)CC1CCC1 ZINC000193210949 382716934 /nfs/dbraw/zinc/71/69/34/382716934.db2.gz ABUYLEJQMVWALV-INIZCTEOSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000193677586 382722350 /nfs/dbraw/zinc/72/23/50/382722350.db2.gz FOHHWCFCENFLRE-CABCVRRESA-N 0 3 283.799 2.944 20 30 CFEDHN CCOc1cc(CNCc2cc(C#N)n(C)c2)ccc1OC ZINC000191057395 382689529 /nfs/dbraw/zinc/68/95/29/382689529.db2.gz UHXPXDVSOZBNQJ-UHFFFAOYSA-N 0 3 299.374 2.594 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@H](C)CCc2ccccc2)C1=O ZINC000337126466 382764041 /nfs/dbraw/zinc/76/40/41/382764041.db2.gz FZZNCOQIKQSSRS-WBVHZDCISA-N 0 3 286.419 2.726 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(CCC(C)C)CC2)C1=O ZINC000337128543 382764640 /nfs/dbraw/zinc/76/46/40/382764640.db2.gz ASELDGMVYDKNJY-INIZCTEOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@@H](N2CCCC[C@@H]2Cc2ccccc2)C1=O ZINC000337129366 382765081 /nfs/dbraw/zinc/76/50/81/382765081.db2.gz INLZYCTVIORHAJ-QZTJIDSGSA-N 0 3 298.430 2.871 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2Cc2ccc(C)cc2)C1=O ZINC000337133473 382765379 /nfs/dbraw/zinc/76/53/79/382765379.db2.gz AXLXEEZFDLQWRO-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@](C)(c3ccccc3)C2)C1=O ZINC000337132763 382765609 /nfs/dbraw/zinc/76/56/09/382765609.db2.gz ANBPAUWYBYHDQF-IEBWSBKVSA-N 0 3 298.430 2.827 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](c2cccs2)C2CC2)C1=O ZINC000337172636 382771107 /nfs/dbraw/zinc/77/11/07/382771107.db2.gz FPVPHIIJHAAEIA-TZMCWYRMSA-N 0 3 276.405 2.576 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](c2cccs2)C2CC2)C1=O ZINC000337172635 382771311 /nfs/dbraw/zinc/77/13/11/382771311.db2.gz FPVPHIIJHAAEIA-OCCSQVGLSA-N 0 3 276.405 2.576 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H](C(C)(C)C)CC2)C1=O ZINC000337182678 382772867 /nfs/dbraw/zinc/77/28/67/382772867.db2.gz MYFHGWMQCBYZIW-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2Cc2ccccc2C)C1=O ZINC000337195157 382774382 /nfs/dbraw/zinc/77/43/82/382774382.db2.gz VSNYIJHSBLAPIY-QZTJIDSGSA-N 0 3 298.430 2.789 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)[C@@H](C)O1 ZINC000337200465 382775686 /nfs/dbraw/zinc/77/56/86/382775686.db2.gz FDLYMSRGPVZVMY-QLFBSQMISA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CCc3ccccc3C2)C1=O ZINC000337224930 382780159 /nfs/dbraw/zinc/78/01/59/382780159.db2.gz NWARYVNRXVGNHQ-CRAIPNDOSA-N 0 3 298.430 2.510 20 30 CFEDHN C=CCOCCCN1CCCC[C@H]1c1ccnn1C ZINC000337239303 382782893 /nfs/dbraw/zinc/78/28/93/382782893.db2.gz DVMGBHVAZRDVCA-HNNXBMFYSA-N 0 3 263.385 2.540 20 30 CFEDHN C=CCOCCCN1CCCC[C@@H]1c1ccnn1C ZINC000337239306 382782988 /nfs/dbraw/zinc/78/29/88/382782988.db2.gz DVMGBHVAZRDVCA-OAHLLOKOSA-N 0 3 263.385 2.540 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2OC(F)F)o1 ZINC000337277131 382792132 /nfs/dbraw/zinc/79/21/32/382792132.db2.gz GRDRMZNBTLVKDS-RYUDHWBXSA-N 0 3 270.279 2.791 20 30 CFEDHN C=CCc1cc(CN[C@H](CO)C(C)(C)C)cc(OC)c1O ZINC000194631400 382750688 /nfs/dbraw/zinc/75/06/88/382750688.db2.gz OOSYRRKCBDDVTH-OAHLLOKOSA-N 0 3 293.407 2.626 20 30 CFEDHN CN(C)CCSc1ccc(C(F)(F)F)c(C#N)n1 ZINC000337019120 382753059 /nfs/dbraw/zinc/75/30/59/382753059.db2.gz OYOXNBZLCBGCRE-UHFFFAOYSA-N 0 3 275.299 2.626 20 30 CFEDHN C=CCSCCNCc1ccc(OC)c(OC)c1OC ZINC000222062135 382800732 /nfs/dbraw/zinc/80/07/32/382800732.db2.gz VOCPGGQAHYMHNS-UHFFFAOYSA-N 0 3 297.420 2.721 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000337354847 382808690 /nfs/dbraw/zinc/80/86/90/382808690.db2.gz DKCDSWPXWPJVIM-HUUCEWRRSA-N 0 3 279.428 2.633 20 30 CFEDHN C#CCSCCNCc1nn(CC)c2ccccc12 ZINC000225354923 382814776 /nfs/dbraw/zinc/81/47/76/382814776.db2.gz JPKQYQGWEAKZKC-UHFFFAOYSA-N 0 3 273.405 2.512 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000337445018 382822352 /nfs/dbraw/zinc/82/23/52/382822352.db2.gz ZRGCBFQCEXLVKT-WFASDCNBSA-N 0 3 278.371 2.803 20 30 CFEDHN CC[C@@H](CSc1ccccc1)NC(=O)C(C)C#N ZINC000337535328 382838308 /nfs/dbraw/zinc/83/83/08/382838308.db2.gz MOOHKNGPYYJXAC-NEPJUHHUSA-N 0 3 262.378 2.833 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NCC1CCC1)C(C)C ZINC000337588385 382845449 /nfs/dbraw/zinc/84/54/49/382845449.db2.gz GDBFJDHVWVVKBX-MRXNPFEDSA-N 0 3 293.455 2.784 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccc2C)C1 ZINC000337683338 382855152 /nfs/dbraw/zinc/85/51/52/382855152.db2.gz IYOLEPFUOVCCEP-QGZVFWFLSA-N 0 3 298.430 2.985 20 30 CFEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H](C)C1 ZINC000337697585 382856662 /nfs/dbraw/zinc/85/66/62/382856662.db2.gz UNHCVMZEWGGNQN-GWUWNPHMSA-N 0 3 291.439 2.648 20 30 CFEDHN COc1ccc([C@H](C)NCc2cc(C#N)n(C)c2)cc1 ZINC000232315504 382868213 /nfs/dbraw/zinc/86/82/13/382868213.db2.gz BEDNIZNKFRHYHT-LBPRGKRZSA-N 0 3 269.348 2.756 20 30 CFEDHN C#CCCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000494094228 382910196 /nfs/dbraw/zinc/91/01/96/382910196.db2.gz ILEJGFGQWMONLJ-CABCVRRESA-N 0 3 292.423 2.874 20 30 CFEDHN COc1cc(CN2C[C@@H]3CCC[C@@H]3C2)ccc1C#N ZINC000235003816 382876536 /nfs/dbraw/zinc/87/65/36/382876536.db2.gz AXCYJUPDAVBDHS-GASCZTMLSA-N 0 3 256.349 2.799 20 30 CFEDHN COCC[C@H](NCc1ccc(C#N)o1)C(C)(C)C ZINC000337952603 382878354 /nfs/dbraw/zinc/87/83/54/382878354.db2.gz YQUYXUSWGOKORX-ZDUSSCGKSA-N 0 3 250.342 2.692 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441087116 382895310 /nfs/dbraw/zinc/89/53/10/382895310.db2.gz HEJWLKAWVQPBMB-ZBFHGGJFSA-N 0 3 286.419 2.803 20 30 CFEDHN CC(F)(F)CNC(=O)C(C#N)CCc1ccccc1 ZINC000578155732 382895390 /nfs/dbraw/zinc/89/53/90/382895390.db2.gz QODMSQDNEZOGTA-GFCCVEGCSA-N 0 3 266.291 2.530 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc3c(c2)OCO3)c(F)c1 ZINC000533449274 382898534 /nfs/dbraw/zinc/89/85/34/382898534.db2.gz TUCGLOFRBMRIOC-UHFFFAOYSA-N 0 3 298.317 2.758 20 30 CFEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C1(C#N)CC(C)C1 ZINC000533507360 382902007 /nfs/dbraw/zinc/90/20/07/382902007.db2.gz UMUJTBARULHAKW-CKDBGZEDSA-N 0 3 291.439 2.553 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000338163250 382938376 /nfs/dbraw/zinc/93/83/76/382938376.db2.gz VVLRKABJGVBPET-OAHLLOKOSA-N 0 3 287.407 2.573 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000338163017 382938693 /nfs/dbraw/zinc/93/86/93/382938693.db2.gz VCLMMMWDQRKXAJ-KBPBESRZSA-N 0 3 299.418 2.717 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@]1(C)CCCO1 ZINC000421848723 382945558 /nfs/dbraw/zinc/94/55/58/382945558.db2.gz AMNZHMCIKFQBLK-ZWNOBZJWSA-N 0 3 250.367 2.667 20 30 CFEDHN CC(C)Oc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000442707424 382947139 /nfs/dbraw/zinc/94/71/39/382947139.db2.gz GQLBQPFSPMHLDM-GXTWGEPZSA-N 0 3 259.353 2.651 20 30 CFEDHN C[C@H](COc1cccc(F)c1)N[C@@H]1CC[C@H](C#N)C1 ZINC000442718607 382949423 /nfs/dbraw/zinc/94/94/23/382949423.db2.gz PGMBOTFJKHHPQR-MBNYWOFBSA-N 0 3 262.328 2.875 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000495142314 382964657 /nfs/dbraw/zinc/96/46/57/382964657.db2.gz VXYJRPYKWQGLLI-HOTGVXAUSA-N 0 3 293.455 2.857 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000442783225 382955482 /nfs/dbraw/zinc/95/54/82/382955482.db2.gz PQVRLQQVNIEWLZ-HIFRSBDPSA-N 0 3 271.364 2.652 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000442796540 382958111 /nfs/dbraw/zinc/95/81/11/382958111.db2.gz UAQIEAVAUCCIDD-TZMCWYRMSA-N 0 3 272.348 2.630 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](CC)CC[C@@H]2C)CC1 ZINC000537913718 382958272 /nfs/dbraw/zinc/95/82/72/382958272.db2.gz YRHYVHBECANGML-GOEBONIOSA-N 0 3 293.455 2.999 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)C1 ZINC000442857289 382961423 /nfs/dbraw/zinc/96/14/23/382961423.db2.gz SPIKVHCVILSZLQ-ZLKJLUDKSA-N 0 3 291.782 2.538 20 30 CFEDHN N#Cc1cccc(CCNCc2cc(C(F)(F)F)n[nH]2)c1 ZINC000441389295 382913686 /nfs/dbraw/zinc/91/36/86/382913686.db2.gz ZGLHFCFAEREJRZ-UHFFFAOYSA-N 0 3 294.280 2.632 20 30 CFEDHN C=C(CC)CN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000494589002 382914774 /nfs/dbraw/zinc/91/47/74/382914774.db2.gz GKYKWKLLSJKNBY-UHFFFAOYSA-N 0 3 286.375 2.968 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000494640239 382916120 /nfs/dbraw/zinc/91/61/20/382916120.db2.gz ZZOAMIRPLRBQIX-PKYBCLHXSA-N 0 3 291.391 2.586 20 30 CFEDHN COC(=O)[C@H]1CCN(CCCCC(C)(C)C#N)C[C@H]1C ZINC000444694475 382977502 /nfs/dbraw/zinc/97/75/02/382977502.db2.gz QLNMQYRWYRVUOK-KGLIPLIRSA-N 0 3 280.412 2.837 20 30 CFEDHN COC(=O)[C@H]1CCN(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444694474 382977992 /nfs/dbraw/zinc/97/79/92/382977992.db2.gz QLNMQYRWYRVUOK-KBPBESRZSA-N 0 3 280.412 2.837 20 30 CFEDHN C=CCOc1ccc(CNCC2(O)CCC2)cc1Cl ZINC000238134633 382978872 /nfs/dbraw/zinc/97/88/72/382978872.db2.gz QJDOYMQPCLFXKI-UHFFFAOYSA-N 0 3 281.783 2.909 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1C ZINC000338315095 382988153 /nfs/dbraw/zinc/98/81/53/382988153.db2.gz KNSHGDWSEHSPDD-AWEZNQCLSA-N 0 3 282.347 2.539 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000446678847 382991834 /nfs/dbraw/zinc/99/18/34/382991834.db2.gz VWIFLKHINULNJA-OLZOCXBDSA-N 0 3 271.364 2.624 20 30 CFEDHN CCCNC(=O)OC[C@@H]1CCCCN1CCCCC#N ZINC000495643188 383006415 /nfs/dbraw/zinc/00/64/15/383006415.db2.gz YAYZSPASJAOTIU-AWEZNQCLSA-N 0 3 281.400 2.671 20 30 CFEDHN CCC(CC)(CCO)NCc1ccc(F)cc1C#N ZINC000338368545 383008710 /nfs/dbraw/zinc/00/87/10/383008710.db2.gz FJVIYKDMOPUXQX-UHFFFAOYSA-N 0 3 264.344 2.728 20 30 CFEDHN C[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000245571422 383009607 /nfs/dbraw/zinc/00/96/07/383009607.db2.gz GRUXVKWDYAGGDN-MAUKXSAKSA-N 0 3 297.377 2.957 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495875641 383038722 /nfs/dbraw/zinc/03/87/22/383038722.db2.gz OOXDRVPSEPRBMK-CHWSQXEVSA-N 0 3 281.400 2.620 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448255603 383050903 /nfs/dbraw/zinc/05/09/03/383050903.db2.gz JKGBTVQYXJLWGE-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN(CCOC)Cc1ccnc2ccccc12 ZINC000579819815 383054957 /nfs/dbraw/zinc/05/49/57/383054957.db2.gz ABRCCCRGQPKEAA-UHFFFAOYSA-N 0 3 256.349 2.869 20 30 CFEDHN C=CCCN(CCO)Cc1cc(Br)cs1 ZINC000338541920 383020853 /nfs/dbraw/zinc/02/08/53/383020853.db2.gz IQPGWCGVRIQZMN-UHFFFAOYSA-N 0 3 290.226 2.881 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2cccc(C#N)c2)C1 ZINC000245708344 383024523 /nfs/dbraw/zinc/02/45/23/383024523.db2.gz YQTSRSZJTVWDBM-GOEBONIOSA-N 0 3 298.390 2.506 20 30 CFEDHN N#CC1(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000590133163 383120660 /nfs/dbraw/zinc/12/06/60/383120660.db2.gz XVBHOGJQDHUUKR-MRXNPFEDSA-N 0 3 297.402 2.634 20 30 CFEDHN C=C(CC)CN1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496711716 383123494 /nfs/dbraw/zinc/12/34/94/383123494.db2.gz DYVLIUYDEFWJSV-AWEZNQCLSA-N 0 3 298.427 2.568 20 30 CFEDHN C=C(Cl)CN[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000496905949 383126978 /nfs/dbraw/zinc/12/69/78/383126978.db2.gz CSNQNBQIIUNOEQ-VXGBXAGGSA-N 0 3 274.792 2.586 20 30 CFEDHN CC(C)[C@]1(C)C[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458135423 383129608 /nfs/dbraw/zinc/12/96/08/383129608.db2.gz QCRVGOWZXOVQBE-RYRKJORJSA-N 0 3 295.386 2.791 20 30 CFEDHN C=CCN1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000497212230 383131787 /nfs/dbraw/zinc/13/17/87/383131787.db2.gz FPAHZHZBOAHXGM-UHFFFAOYSA-N 0 3 288.391 2.811 20 30 CFEDHN N#Cc1cccc(CNC(=O)CN(C2CC2)C2CCCC2)c1 ZINC000609144565 383133721 /nfs/dbraw/zinc/13/37/21/383133721.db2.gz SDZJXOBFKQQZPB-UHFFFAOYSA-N 0 3 297.402 2.581 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H](CC)CCCC)C1=O ZINC000499993992 383136580 /nfs/dbraw/zinc/13/65/80/383136580.db2.gz DPTLYNJOIANARX-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000554889460 383147020 /nfs/dbraw/zinc/14/70/20/383147020.db2.gz OJQCTHMMIRFRPH-PBHICJAKSA-N 0 3 280.375 2.713 20 30 CFEDHN C[C@@H]1[C@H](NC[C@@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000580948236 383082316 /nfs/dbraw/zinc/08/23/16/383082316.db2.gz LVFBDIBELJZZQB-KBAYOESNSA-N 0 3 296.418 2.683 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@H]2C)N(C)C)cc1 ZINC000448609188 383086007 /nfs/dbraw/zinc/08/60/07/383086007.db2.gz ZIJIRANSDVLEMB-SKDZVZGDSA-N 0 3 299.418 2.518 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000582392007 383086930 /nfs/dbraw/zinc/08/69/30/383086930.db2.gz HPMCUGQVIBOICQ-CMPLNLGQSA-N 0 3 288.351 2.550 20 30 CFEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000583602158 383090387 /nfs/dbraw/zinc/09/03/87/383090387.db2.gz UEXDCLIHLDRKMI-AWEZNQCLSA-N 0 3 256.349 2.818 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccnc(C#N)c2)C1 ZINC000552999600 383096666 /nfs/dbraw/zinc/09/66/66/383096666.db2.gz OKJWTFNABJDYBJ-PBHICJAKSA-N 0 3 292.386 2.623 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000246806085 383106552 /nfs/dbraw/zinc/10/65/52/383106552.db2.gz SYVBWUFEUMDZIO-GOEBONIOSA-N 0 3 295.390 2.623 20 30 CFEDHN C[C@@](O)(CN[C@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000553335929 383107345 /nfs/dbraw/zinc/10/73/45/383107345.db2.gz ZYKCOTGUMNVYLM-UONOGXRCSA-N 0 3 298.308 2.839 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000246849098 383112968 /nfs/dbraw/zinc/11/29/68/383112968.db2.gz VNJBFYITKPWEEQ-LSDHHAIUSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@@H](CCC#N)N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496546136 383115393 /nfs/dbraw/zinc/11/53/93/383115393.db2.gz BRFYYDCXBUUESF-FRRDWIJNSA-N 0 3 281.400 2.524 20 30 CFEDHN C=CCN(C[C@@H]1CN(c2ccccc2)CCO1)C1CC1 ZINC000564584921 383170872 /nfs/dbraw/zinc/17/08/72/383170872.db2.gz LHOWNWFATLKYCG-QGZVFWFLSA-N 0 3 272.392 2.542 20 30 CFEDHN C=CCn1c(C)nnc1SCCN1C[C@H](C)C[C@H](C)C1 ZINC000565238253 383177858 /nfs/dbraw/zinc/17/78/58/383177858.db2.gz ONEHVOGJLLCAMD-BETUJISGSA-N 0 3 294.468 2.843 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](c3cccnc3)C2)nn1 ZINC000565885869 383181932 /nfs/dbraw/zinc/18/19/32/383181932.db2.gz BIRVGJJIEWMUTP-GOEBONIOSA-N 0 3 297.406 2.675 20 30 CFEDHN CN(CCOCCC#N)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000339207070 383184298 /nfs/dbraw/zinc/18/42/98/383184298.db2.gz BEUQYYHGQXKPOI-VXGBXAGGSA-N 0 3 278.318 2.970 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(C)CC1 ZINC000339255167 383186204 /nfs/dbraw/zinc/18/62/04/383186204.db2.gz QMYUFWUWDJFRMP-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449269016 383192686 /nfs/dbraw/zinc/19/26/86/383192686.db2.gz LEFWGRYQJLIAHT-UHFFFAOYSA-N 0 3 257.337 2.547 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)c1cc[nH]c(=O)c1 ZINC000339456198 383203127 /nfs/dbraw/zinc/20/31/27/383203127.db2.gz VFPGHUXTPZIJGV-SECBINFHSA-N 0 3 259.334 2.571 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000424294122 383203242 /nfs/dbraw/zinc/20/32/42/383203242.db2.gz JVZHMBQBBOKBJJ-FFSVYQOJSA-N 0 3 274.339 2.939 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1)c1cc[nH]c(=O)c1 ZINC000339454383 383203593 /nfs/dbraw/zinc/20/35/93/383203593.db2.gz JWHDGCBJQUVUME-NSHDSACASA-N 0 3 253.305 2.510 20 30 CFEDHN Cc1cc(CN[C@H](C)c2cc[nH]c(=O)c2)ccc1C#N ZINC000339459026 383204896 /nfs/dbraw/zinc/20/48/96/383204896.db2.gz GPUBAPPDMKTEFW-GFCCVEGCSA-N 0 3 267.332 2.818 20 30 CFEDHN C[C@H](NCc1cc(C#N)cs1)c1cc[nH]c(=O)c1 ZINC000339459294 383205835 /nfs/dbraw/zinc/20/58/35/383205835.db2.gz MRNNMMIACWWCBY-VIFPVBQESA-N 0 3 259.334 2.571 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000247159020 383148782 /nfs/dbraw/zinc/14/87/82/383148782.db2.gz QISJYBZPIOAJBO-GOEBONIOSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCCCCN1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000556266785 383150918 /nfs/dbraw/zinc/15/09/18/383150918.db2.gz DRFVLCIKGZPKNZ-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cn2ccccc2n1 ZINC000556253328 383150927 /nfs/dbraw/zinc/15/09/27/383150927.db2.gz PZOPQQAIORYRGE-VBQJREDUSA-N 0 3 285.391 2.966 20 30 CFEDHN C=CCCCCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000556220145 383151106 /nfs/dbraw/zinc/15/11/06/383151106.db2.gz KZOOYTVOAQGZPY-MNOVXSKESA-N 0 3 251.292 2.730 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NCCN1CCCC[C@H]1CC ZINC000247205454 383153310 /nfs/dbraw/zinc/15/33/10/383153310.db2.gz UHTTXFYRBSICLV-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H]2C[C@@H]2OCC)ccc1OC ZINC000562467967 383157658 /nfs/dbraw/zinc/15/76/58/383157658.db2.gz SELDETUFJMEWSS-ZBFHGGJFSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCCCCN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000562542296 383160364 /nfs/dbraw/zinc/16/03/64/383160364.db2.gz QGABQRABXXCFPT-HNNXBMFYSA-N 0 3 253.386 2.613 20 30 CFEDHN COc1ncccc1CNC1CCC(C)(C#N)CC1 ZINC000449072610 383160586 /nfs/dbraw/zinc/16/05/86/383160586.db2.gz FUUMSTZBBBGURL-UHFFFAOYSA-N 0 3 259.353 2.652 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1 ZINC000516070543 383162321 /nfs/dbraw/zinc/16/23/21/383162321.db2.gz IQRIZXSFSSZKKA-RBSFLKMASA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)C2CCCCC2)C1=O ZINC000339153761 383168782 /nfs/dbraw/zinc/16/87/82/383168782.db2.gz KWTNVGGXSFIOHC-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000424773673 383258132 /nfs/dbraw/zinc/25/81/32/383258132.db2.gz GKGSQKXIBXWXIO-UONOGXRCSA-N 0 3 296.480 2.627 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](CC)CCCC)CC1 ZINC000520686569 383269926 /nfs/dbraw/zinc/26/99/26/383269926.db2.gz GBFOSMASVUBKOI-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248619483 383272530 /nfs/dbraw/zinc/27/25/30/383272530.db2.gz KOFROFRXBUVBCN-DOTOQJQBSA-N 0 3 298.430 2.673 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000424643934 383219249 /nfs/dbraw/zinc/21/92/49/383219249.db2.gz GQHSQCDKAGDSEO-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)C[C@H]1F)C(C)C ZINC000424659684 383223420 /nfs/dbraw/zinc/22/34/20/383223420.db2.gz SIMNIPPGTGZATK-IIAWOOMASA-N 0 3 282.403 2.549 20 30 CFEDHN CN(C)c1cccnc1CNC1CCC(C)(C#N)CC1 ZINC000449338361 383226671 /nfs/dbraw/zinc/22/66/71/383226671.db2.gz RPXJQRTYQKRYTI-UHFFFAOYSA-N 0 3 272.396 2.710 20 30 CFEDHN CCO[C@@H]1C[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000567065419 383239174 /nfs/dbraw/zinc/23/91/74/383239174.db2.gz SSBCMZHIFGLOGX-HZPDHXFCSA-N 0 3 274.364 2.636 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000339820789 383330261 /nfs/dbraw/zinc/33/02/61/383330261.db2.gz LQMGMLXJAKCOBA-CVEARBPZSA-N 0 3 296.455 2.546 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000249286169 383338109 /nfs/dbraw/zinc/33/81/09/383338109.db2.gz PJKOXTWJVWQWHU-GDBMZVCRSA-N 0 3 295.390 2.623 20 30 CFEDHN CC(C)[C@@H](CO)[C@H](NCc1ccccc1C#N)C(C)C ZINC000449508795 383344388 /nfs/dbraw/zinc/34/43/88/383344388.db2.gz HSMOIIBKZBAVSJ-IAGOWNOFSA-N 0 3 274.408 2.937 20 30 CFEDHN N#Cc1cccc(C2(NCCn3cc(Cl)cn3)CC2)c1 ZINC000459386688 383287315 /nfs/dbraw/zinc/28/73/15/383287315.db2.gz LYKLNQIMUWWNNF-UHFFFAOYSA-N 0 3 286.766 2.687 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000567617425 383294810 /nfs/dbraw/zinc/29/48/10/383294810.db2.gz JWGVKVCRSLJDJE-NHYWBVRUSA-N 0 3 264.344 2.584 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cc1F ZINC000248836325 383296601 /nfs/dbraw/zinc/29/66/01/383296601.db2.gz JZUMLRWQURVAOC-GOEBONIOSA-N 0 3 274.339 2.698 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2COc3ccccc3C2)C1 ZINC000248846677 383297739 /nfs/dbraw/zinc/29/77/39/383297739.db2.gz OHBVXQZFOGQOPS-SNPRPXQTSA-N 0 3 256.349 2.662 20 30 CFEDHN CC(C)(CO)[C@H](NCc1ccc(F)cc1C#N)C1CC1 ZINC000339724385 383298353 /nfs/dbraw/zinc/29/83/53/383298353.db2.gz VIXCXYQMKZQROO-OAHLLOKOSA-N 0 3 276.355 2.584 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc2ccccc2nc1OC ZINC000567661186 383299823 /nfs/dbraw/zinc/29/98/23/383299823.db2.gz MGLVLEXLCKMLFI-YOEHRIQHSA-N 0 3 298.386 2.924 20 30 CFEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000248911864 383307889 /nfs/dbraw/zinc/30/78/89/383307889.db2.gz YHPLGEVZKVCGRI-DLBZAZTESA-N 0 3 257.377 2.521 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@@H](c2cccnc2)C1 ZINC000567798589 383317655 /nfs/dbraw/zinc/31/76/55/383317655.db2.gz SFVUFPSHGRYXAL-QGZVFWFLSA-N 0 3 293.370 2.822 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000249094069 383325846 /nfs/dbraw/zinc/32/58/46/383325846.db2.gz FDJQLGDHZGLAES-KGLIPLIRSA-N 0 3 285.391 2.597 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000478540656 383395714 /nfs/dbraw/zinc/39/57/14/383395714.db2.gz SUQXETXYVPQQAI-IRUJWGPZSA-N 0 3 262.740 2.862 20 30 CFEDHN CC(C)c1nnc(CCN[C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000426327866 383396213 /nfs/dbraw/zinc/39/62/13/383396213.db2.gz AXDOZFIFAWIHLL-VXGBXAGGSA-N 0 3 278.425 2.876 20 30 CFEDHN OCC[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000426266282 383397136 /nfs/dbraw/zinc/39/71/36/383397136.db2.gz YDMZDYFHLUDRRY-OAHLLOKOSA-N 0 3 263.768 2.538 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000449516697 383350415 /nfs/dbraw/zinc/35/04/15/383350415.db2.gz BTYJYYYAVWZHTH-CFVMTHIKSA-N 0 3 289.375 2.842 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OCCC)c1 ZINC000449516363 383350707 /nfs/dbraw/zinc/35/07/07/383350707.db2.gz AAYIEYZBQHFPJP-CABCVRRESA-N 0 3 291.391 2.917 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc(Cl)c1 ZINC000449523682 383352658 /nfs/dbraw/zinc/35/26/58/383352658.db2.gz XYKIGQBQEUNOIV-OLZOCXBDSA-N 0 3 255.720 2.912 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C(F)(F)F)s1 ZINC000449549568 383355259 /nfs/dbraw/zinc/35/52/59/383355259.db2.gz ZEJXYJTVYWTJAM-ZJUUUORDSA-N 0 3 292.326 2.985 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](CCCO)C1 ZINC000449792543 383365755 /nfs/dbraw/zinc/36/57/55/383365755.db2.gz UBUUQECDBMPVSE-HNNXBMFYSA-N 0 3 275.392 2.846 20 30 CFEDHN Cn1ncc2ccc(CNCc3ccc(C#N)cc3)cc21 ZINC000568578426 383414299 /nfs/dbraw/zinc/41/42/99/383414299.db2.gz URVYFVRTAOOCSM-UHFFFAOYSA-N 0 3 276.343 2.735 20 30 CFEDHN C=CCCCCNC(=O)c1ccccc1OCCN(C)C ZINC000471697600 383377789 /nfs/dbraw/zinc/37/77/89/383377789.db2.gz PXMQZDGTGVBUGU-UHFFFAOYSA-N 0 3 290.407 2.713 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1 ZINC000450272293 383388122 /nfs/dbraw/zinc/38/81/22/383388122.db2.gz WVELNOWMOBSKPJ-BLLLJJGKSA-N 0 3 271.364 2.545 20 30 CFEDHN CN1CCC[C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000526996310 383446625 /nfs/dbraw/zinc/44/66/25/383446625.db2.gz KJIYPJZRNOTPLK-DOTOQJQBSA-N 0 3 299.418 2.532 20 30 CFEDHN CN1CCC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000526996313 383446747 /nfs/dbraw/zinc/44/67/47/383446747.db2.gz KJIYPJZRNOTPLK-WBVHZDCISA-N 0 3 299.418 2.532 20 30 CFEDHN C=CCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000487933810 383483694 /nfs/dbraw/zinc/48/36/94/383483694.db2.gz MQOLVWLSWJQLMZ-ZBFHGGJFSA-N 0 3 287.407 2.649 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCC2(C#N)CCC2)C1 ZINC000450561955 383462836 /nfs/dbraw/zinc/46/28/36/383462836.db2.gz GMKMSZZLVCMNAI-BBRMVZONSA-N 0 3 264.413 2.847 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](CO)C[C@@H]2C)cc1 ZINC000569052904 383463677 /nfs/dbraw/zinc/46/36/77/383463677.db2.gz BBXYWAQIYFAYSR-HOCLYGCPSA-N 0 3 275.392 2.844 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000428043002 383420422 /nfs/dbraw/zinc/42/04/22/383420422.db2.gz OCQWIBUHECGYJS-MRXNPFEDSA-N 0 3 272.392 2.929 20 30 CFEDHN C=CCN1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255558747 383484105 /nfs/dbraw/zinc/48/41/05/383484105.db2.gz DCEYELFXJIFDQB-TWGQIWQCSA-N 0 3 299.418 2.649 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2cn3ccccc3c2C#N)CCN1C ZINC000487969334 383484168 /nfs/dbraw/zinc/48/41/68/383484168.db2.gz HQHWBELBCJKJDZ-SFHVURJKSA-N 0 3 296.418 2.583 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@@H]1CCC[C@H]1C ZINC000488020066 383487612 /nfs/dbraw/zinc/48/76/12/383487612.db2.gz BESRHQDSTUYZTL-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN CC(C)[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CCN1C ZINC000488040166 383490950 /nfs/dbraw/zinc/49/09/50/383490950.db2.gz KHOGKMDKYMVDBT-KRWDZBQOSA-N 0 3 290.838 2.964 20 30 CFEDHN CC1(C)CC(CN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000528355195 383499178 /nfs/dbraw/zinc/49/91/78/383499178.db2.gz YSHNDCOYXOZYQD-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN CCN(C[C@H](C)OC)C(=O)C(C#N)CCc1ccccc1 ZINC000428922573 383502077 /nfs/dbraw/zinc/50/20/77/383502077.db2.gz MHFCQBBIYUUUFK-GOEBONIOSA-N 0 3 288.391 2.642 20 30 CFEDHN CC[C@H]1CN(CC)CCN1c1ccc(Cl)c(C#N)n1 ZINC000450823222 383504630 /nfs/dbraw/zinc/50/46/30/383504630.db2.gz CAOQMJOZUZYFKC-NSHDSACASA-N 0 3 278.787 2.527 20 30 CFEDHN CC(C)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CCN1C ZINC000488205127 383505686 /nfs/dbraw/zinc/50/56/86/383505686.db2.gz UDMQISSEGPZKRM-PBHICJAKSA-N 0 3 271.408 2.891 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1Cc2cccc(O)c2C1 ZINC000429322897 383518355 /nfs/dbraw/zinc/51/83/55/383518355.db2.gz PVGGFZQRVNTFNC-OAHLLOKOSA-N 0 3 294.354 2.529 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1C ZINC000488349915 383525163 /nfs/dbraw/zinc/52/51/63/383525163.db2.gz ORFGANGIKVXSHT-CJNGLKHVSA-N 0 3 258.365 2.663 20 30 CFEDHN C=C(C)CCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429377073 383526048 /nfs/dbraw/zinc/52/60/48/383526048.db2.gz CACLNQFNENXNJG-KBPBESRZSA-N 0 3 266.429 2.920 20 30 CFEDHN C=C(CC)CN[C@@H](CN1CCOCC1)c1ccccc1 ZINC000341008708 383527093 /nfs/dbraw/zinc/52/70/93/383527093.db2.gz CBTOVNVWABGDTQ-KRWDZBQOSA-N 0 3 274.408 2.616 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000341123795 383573997 /nfs/dbraw/zinc/57/39/97/383573997.db2.gz ITKSEDBXMQVPJI-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)c1ccc(CN(C)C)cc1 ZINC000488871685 383581095 /nfs/dbraw/zinc/58/10/95/383581095.db2.gz QZRFFYXIHYMXIK-MRXNPFEDSA-N 0 3 272.392 2.929 20 30 CFEDHN CC#CCCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528599060 383588022 /nfs/dbraw/zinc/58/80/22/383588022.db2.gz VICKQMUCNMCDNB-UHFFFAOYSA-N 0 3 257.381 2.546 20 30 CFEDHN C=CCN(C)CCN(CC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000429724661 383564036 /nfs/dbraw/zinc/56/40/36/383564036.db2.gz QESIEROQYJYLEB-ZDUSSCGKSA-N 0 3 294.395 2.567 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cccc2c1CCNC2 ZINC000570909207 383645621 /nfs/dbraw/zinc/64/56/21/383645621.db2.gz LXPOJPIJKCUPKB-CQSZACIVSA-N 0 3 285.391 2.905 20 30 CFEDHN C=C[C@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000489517945 383626107 /nfs/dbraw/zinc/62/61/07/383626107.db2.gz VMQJPHXRMNPVIV-HNNXBMFYSA-N 0 3 256.349 2.978 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762223 383628447 /nfs/dbraw/zinc/62/84/47/383628447.db2.gz PZLXFTGSZCVSSW-HNNXBMFYSA-N 0 3 299.418 2.617 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H](c3ccccc3)C2)C1=O ZINC000433044438 383754250 /nfs/dbraw/zinc/75/42/50/383754250.db2.gz MZECVQTVBMCAMZ-SJORKVTESA-N 0 3 284.403 2.653 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000572104960 383754488 /nfs/dbraw/zinc/75/44/88/383754488.db2.gz RIIAQGMTGHOZPM-UONOGXRCSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCN(CC=C)C(=O)C(C#N)CCc1ccccc1 ZINC000433123191 383755010 /nfs/dbraw/zinc/75/50/10/383755010.db2.gz YJDJYFWFOUZICM-INIZCTEOSA-N 0 3 268.360 2.960 20 30 CFEDHN C[C@@H](CCN(C)CC(C)(C)C#N)N(C)CC(C)(C)C#N ZINC000433308923 383759241 /nfs/dbraw/zinc/75/92/41/383759241.db2.gz ZFERDNADBLFQAO-AWEZNQCLSA-N 0 3 278.444 2.728 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529907854 383762789 /nfs/dbraw/zinc/76/27/89/383762789.db2.gz ZWCQANTVXLPYDZ-DYVFJYSZSA-N 0 3 284.359 2.532 20 30 CFEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000264619627 383763375 /nfs/dbraw/zinc/76/33/75/383763375.db2.gz RHLIEZUOVYMWEH-MRXNPFEDSA-N 0 3 298.390 2.650 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530026309 383763472 /nfs/dbraw/zinc/76/34/72/383763472.db2.gz HZYWGDPXCKZMCT-GDBMZVCRSA-N 0 3 264.413 2.722 20 30 CFEDHN C[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)N1CCCCCC1 ZINC000434030282 383765899 /nfs/dbraw/zinc/76/58/99/383765899.db2.gz HFXAOMPBUWTNAE-GJZGRUSLSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1OC(C)C ZINC000451603580 383665468 /nfs/dbraw/zinc/66/54/68/383665468.db2.gz DJQNAASBCQZBRU-CABCVRRESA-N 0 3 261.365 2.907 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC(C)(C)CCc2ccccc21 ZINC000436305123 383802502 /nfs/dbraw/zinc/80/25/02/383802502.db2.gz HXWWNKDMRPBUPB-INIZCTEOSA-N 0 3 286.419 2.982 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccc(C)nc1)CC1CC1 ZINC000646019706 383820854 /nfs/dbraw/zinc/82/08/54/383820854.db2.gz WPGRFVOQWKIVDK-KRWDZBQOSA-N 0 3 274.408 2.929 20 30 CFEDHN COc1cc(CN[C@@H]2C[C@H](OC)C23CCC3)ccc1C#N ZINC000453264160 383822129 /nfs/dbraw/zinc/82/21/29/383822129.db2.gz ZPYOIKYLJRDGSG-CVEARBPZSA-N 0 3 286.375 2.614 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000265052725 383823266 /nfs/dbraw/zinc/82/32/66/383823266.db2.gz QIMIQAUTSSUASG-HZPDHXFCSA-N 0 3 258.365 2.684 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000435974037 383782639 /nfs/dbraw/zinc/78/26/39/383782639.db2.gz TYANFAYIRGEXIH-XFBWCDHKSA-N 0 3 264.328 2.972 20 30 CFEDHN C#CCCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000192069622 533012754 /nfs/dbraw/zinc/01/27/54/533012754.db2.gz DLDIRMKTHNUOBW-UHFFFAOYSA-N 0 3 298.430 2.613 20 30 CFEDHN C=C(C)COCCNCc1cc2c(cccc2F)[nH]1 ZINC000436290265 383800337 /nfs/dbraw/zinc/80/03/37/383800337.db2.gz JBCORFYHUKZONT-UHFFFAOYSA-N 0 3 262.328 2.989 20 30 CFEDHN CC(C)[C@@H](NCC#Cc1ccccc1)C1(CO)CC=CC1 ZINC000646083981 383856866 /nfs/dbraw/zinc/85/68/66/383856866.db2.gz NAFMKYHRYSFBRL-GOSISDBHSA-N 0 3 283.415 2.981 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2csc(C)c2)CC1 ZINC000640646052 383878024 /nfs/dbraw/zinc/87/80/24/383878024.db2.gz RRGVRRONRYCRJD-UHFFFAOYSA-N 0 3 279.409 2.828 20 30 CFEDHN C=CCCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640565432 383829367 /nfs/dbraw/zinc/82/93/67/383829367.db2.gz YFCFTVODFFHBSE-STQMWFEESA-N 0 3 273.298 2.687 20 30 CFEDHN C[C@@H](CCCO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000453282073 383835303 /nfs/dbraw/zinc/83/53/03/383835303.db2.gz TXYOUDUHUGIFAU-RYUDHWBXSA-N 0 3 264.344 2.757 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000265427867 383913963 /nfs/dbraw/zinc/91/39/63/383913963.db2.gz MCYVRQJIEZNJLC-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN CCCCN(CC#CCOC)[C@@H]1CCc2ncsc2C1 ZINC000646129472 383882625 /nfs/dbraw/zinc/88/26/25/383882625.db2.gz IBKSIQLECDARQT-CQSZACIVSA-N 0 3 292.448 2.752 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCc1cc(C#N)ccc1F ZINC000573566836 383950865 /nfs/dbraw/zinc/95/08/65/383950865.db2.gz FWQNGZSZHONLPT-XHDPSFHLSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000637321127 384026933 /nfs/dbraw/zinc/02/69/33/384026933.db2.gz FJSGGGWLYAVNTJ-ZIAGYGMSSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000637322090 384028667 /nfs/dbraw/zinc/02/86/67/384028667.db2.gz OSCRAWGIJKNKSC-CABCVRRESA-N 0 3 293.455 2.714 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438929526 384030034 /nfs/dbraw/zinc/03/00/34/384030034.db2.gz WHNSYOIIQJIYMM-OPRDCNLKSA-N 0 3 262.275 2.631 20 30 CFEDHN C[C@@](CO)(NCc1ccccc1C#N)C1CCCCC1 ZINC000265948020 384034503 /nfs/dbraw/zinc/03/45/03/384034503.db2.gz SQFUJQYLSYDRRJ-KRWDZBQOSA-N 0 3 272.392 2.979 20 30 CFEDHN C#CCCOc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1 ZINC000265940514 384034607 /nfs/dbraw/zinc/03/46/07/384034607.db2.gz FSLOBERKLXWKDI-QGZVFWFLSA-N 0 3 299.370 2.813 20 30 CFEDHN CCCN(Cc1cn2ccccc2c1C#N)CC(C)(C)O ZINC000266017573 384055305 /nfs/dbraw/zinc/05/53/05/384055305.db2.gz NTNWHFVQWSSKSK-UHFFFAOYSA-N 0 3 285.391 2.794 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1F)CC(C)(C)O ZINC000266026427 384057252 /nfs/dbraw/zinc/05/72/52/384057252.db2.gz QLLBTDFGAOGCPO-UHFFFAOYSA-N 0 3 264.344 2.680 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@@H]2CN(C)C[C@@H]21)c1ccccc1 ZINC000646927282 384096583 /nfs/dbraw/zinc/09/65/83/384096583.db2.gz HQMRYHPBJVITCI-IKGGRYGDSA-N 0 3 284.403 2.509 20 30 CFEDHN COc1cc(CN[C@@H]2CC[C@H]2SC)ccc1C#N ZINC000440624497 384115976 /nfs/dbraw/zinc/11/59/76/384115976.db2.gz YVCHUPXTDFUWBO-TZMCWYRMSA-N 0 3 262.378 2.550 20 30 CFEDHN C[C@@H](COCC(F)(F)F)NCc1ccc(C#N)s1 ZINC000267144271 384307835 /nfs/dbraw/zinc/30/78/35/384307835.db2.gz AQJIVADNXRTPGD-QMMMGPOBSA-N 0 3 278.299 2.677 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000267169140 384313155 /nfs/dbraw/zinc/31/31/55/384313155.db2.gz UEOAYNFNYQOLLY-AWEZNQCLSA-N 0 3 290.407 2.976 20 30 CFEDHN C=CCN(CCC1OCCCO1)Cc1ccccc1 ZINC000267046036 384287224 /nfs/dbraw/zinc/28/72/24/384287224.db2.gz IUIUFTLRVKHAMD-UHFFFAOYSA-N 0 3 261.365 2.828 20 30 CFEDHN C=CCOCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000267121934 384302382 /nfs/dbraw/zinc/30/23/82/384302382.db2.gz AOIOPDSDSVPJNP-UHFFFAOYSA-N 0 3 290.407 2.978 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(OC)c2ccccc12 ZINC000641768582 384335398 /nfs/dbraw/zinc/33/53/98/384335398.db2.gz CSIUFJGKYYGJQC-OAHLLOKOSA-N 0 3 283.371 2.712 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccccc1OC1CCCC1 ZINC000641769741 384336411 /nfs/dbraw/zinc/33/64/11/384336411.db2.gz ZNOBNCAOSWTUJP-INIZCTEOSA-N 0 3 287.403 2.872 20 30 CFEDHN CC#CC[C@H](CO)NCc1csc2ccccc12 ZINC000641769387 384337160 /nfs/dbraw/zinc/33/71/60/384337160.db2.gz UTJNTCFDUAKWDV-CYBMUJFWSA-N 0 3 259.374 2.765 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)c2ccc(Cl)c(C#N)n2)CCN1C ZINC000267231420 384330466 /nfs/dbraw/zinc/33/04/66/384330466.db2.gz PYHLWNXJTPXKML-MNOVXSKESA-N 0 3 278.787 2.526 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cscc1C(F)(F)F ZINC000641766706 384331873 /nfs/dbraw/zinc/33/18/73/384331873.db2.gz AQSDDRFBPFFLIO-JTQLQIEISA-N 0 3 277.311 2.631 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(F)cc1C(F)(F)F ZINC000641766915 384333342 /nfs/dbraw/zinc/33/33/42/384333342.db2.gz DYLZNAZJRAISNB-GFCCVEGCSA-N 0 3 289.272 2.708 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1ccsc1 ZINC000267446838 384393660 /nfs/dbraw/zinc/39/36/60/384393660.db2.gz ZYSNPVHJAWGPBZ-AWEZNQCLSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCN(C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000642233786 384415565 /nfs/dbraw/zinc/41/55/65/384415565.db2.gz IZLKIUBAGWIIHF-GASCZTMLSA-N 0 3 253.386 2.613 20 30 CFEDHN CC(C)(O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000267382041 384375522 /nfs/dbraw/zinc/37/55/22/384375522.db2.gz GLJKUDWZNKDKKH-UHFFFAOYSA-N 0 3 288.391 2.562 20 30 CFEDHN C[C@@H](CNc1ccc(C#N)nc1)N1CCc2ccccc2C1 ZINC000267405784 384382808 /nfs/dbraw/zinc/38/28/08/384382808.db2.gz QPOQTKNDKJYVCB-AWEZNQCLSA-N 0 3 292.386 2.812 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)nc1)c1ccc(F)cc1 ZINC000267437903 384391152 /nfs/dbraw/zinc/39/11/52/384391152.db2.gz YDQNJQFLIBXMAH-MRXNPFEDSA-N 0 3 284.338 2.807 20 30 CFEDHN CC(C)N1CCC(N(C)C(=O)c2cc(C#N)cs2)CC1 ZINC000267647413 384433162 /nfs/dbraw/zinc/43/31/62/384433162.db2.gz SRRIRUJKEJNNPE-UHFFFAOYSA-N 0 3 291.420 2.565 20 30 CFEDHN C[C@H]1C[C@H](Nc2c(C#N)nnc3ccccc32)CN1C1CC1 ZINC000267867636 384480461 /nfs/dbraw/zinc/48/04/61/384480461.db2.gz KNKPFZHGLOFUMK-RYUDHWBXSA-N 0 3 293.374 2.539 20 30 CFEDHN C=CCN1CC[C@@H](NC(C)(C)c2cccc(Cl)c2)C1=O ZINC000281138819 195120026 /nfs/dbraw/zinc/12/00/26/195120026.db2.gz AMDVJVCKSIHJFY-CQSZACIVSA-N 0 3 292.810 2.952 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC)c(OCc2cccnc2)c1 ZINC000289384667 197321872 /nfs/dbraw/zinc/32/18/72/197321872.db2.gz MVSDYBHCQJZKSM-CQSZACIVSA-N 0 3 296.370 2.781 20 30 CFEDHN C[C@]1(NCc2ccc(F)c(C#N)c2)CCO[C@H]1C1CC1 ZINC000374633571 220324374 /nfs/dbraw/zinc/32/43/74/220324374.db2.gz WFPYSVVCDXNBPQ-HOTGVXAUSA-N 0 3 274.339 2.745 20 30 CFEDHN CC[C@@H](NCCNC(=O)c1ccco1)c1ccc(C#N)cc1 ZINC000278355272 384538565 /nfs/dbraw/zinc/53/85/65/384538565.db2.gz ZWEMIHGNPXXOHT-OAHLLOKOSA-N 0 3 297.358 2.622 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000268245330 384577350 /nfs/dbraw/zinc/57/73/50/384577350.db2.gz YDZLHOBMMXDJKI-CQSZACIVSA-N 0 3 264.413 2.555 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268257438 384581682 /nfs/dbraw/zinc/58/16/82/384581682.db2.gz WKBJRAQALHEFHJ-JKSUJKDBSA-N 0 3 276.355 2.823 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268257434 384581799 /nfs/dbraw/zinc/58/17/99/384581799.db2.gz WKBJRAQALHEFHJ-HOTGVXAUSA-N 0 3 276.355 2.823 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)COC(C)C ZINC000279379666 384619791 /nfs/dbraw/zinc/61/97/91/384619791.db2.gz SODPXWVPPYTRPX-QGZVFWFLSA-N 0 3 277.408 2.851 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000638407899 384628467 /nfs/dbraw/zinc/62/84/67/384628467.db2.gz CVXKBEQOAVAZBK-UONOGXRCSA-N 0 3 252.402 2.565 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCN(CCc3ccccc3)CC2)C1 ZINC000278786693 384596521 /nfs/dbraw/zinc/59/65/21/384596521.db2.gz ZZDSXMTWRJWARN-ZWKOTPCHSA-N 0 3 283.419 2.539 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCN(CCc3ccccc3)CC2)C1 ZINC000278786689 384596994 /nfs/dbraw/zinc/59/69/94/384596994.db2.gz ZZDSXMTWRJWARN-MSOLQXFVSA-N 0 3 283.419 2.539 20 30 CFEDHN C[C@@H](c1ccco1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268682378 384645981 /nfs/dbraw/zinc/64/59/81/384645981.db2.gz MPXCEVWSRYMWLZ-WFASDCNBSA-N 0 3 270.332 2.878 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000279574631 384683250 /nfs/dbraw/zinc/68/32/50/384683250.db2.gz OTAIMACOMSOMQI-HNNXBMFYSA-N 0 3 275.396 2.555 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)C1 ZINC000638471885 384683640 /nfs/dbraw/zinc/68/36/40/384683640.db2.gz MUFOQVNLTUNKLL-FMKPAKJESA-N 0 3 272.392 2.747 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269684715 384835282 /nfs/dbraw/zinc/83/52/82/384835282.db2.gz ZMKJKFOJVCQBSQ-CQSZACIVSA-N 0 3 264.325 2.526 20 30 CFEDHN Clc1cccc(C#CCN2CCN(C3CCC3)CC2)c1 ZINC000269544924 384784943 /nfs/dbraw/zinc/78/49/43/384784943.db2.gz ZNICSXMYPYXVSC-UHFFFAOYSA-N 0 3 288.822 2.862 20 30 CFEDHN C=CCCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000279898645 384804369 /nfs/dbraw/zinc/80/43/69/384804369.db2.gz VBUIOXWCOZJYFB-OAHLLOKOSA-N 0 3 258.365 2.562 20 30 CFEDHN C#CCOc1ccc(CN2CCCO[C@@H](CC)C2)cc1 ZINC000281164720 195131271 /nfs/dbraw/zinc/13/12/71/195131271.db2.gz GJSCPSJSXKJKMS-INIZCTEOSA-N 0 3 273.376 2.700 20 30 CFEDHN C#Cc1ccc(CNC[C@@H](O)COc2cccc(C)c2)cc1 ZINC000289269457 197280908 /nfs/dbraw/zinc/28/09/08/197280908.db2.gz NKBGKFRJFWCKND-GOSISDBHSA-N 0 3 295.382 2.506 20 30 CFEDHN C=C(C)COCCNCc1cc2ccccc2n1C ZINC000638757999 384894546 /nfs/dbraw/zinc/89/45/46/384894546.db2.gz REZHCJHDJGPTCG-UHFFFAOYSA-N 0 3 258.365 2.861 20 30 CFEDHN C=CCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000280166807 384913320 /nfs/dbraw/zinc/91/33/20/384913320.db2.gz SPHDIAYAKVJQCM-UHFFFAOYSA-N 0 3 275.396 2.514 20 30 CFEDHN COc1ccc(CN2CCC[C@@](C)(OC)CC2)cc1C#N ZINC000280214716 384931760 /nfs/dbraw/zinc/93/17/60/384931760.db2.gz IVMQKVISKFVHSV-QGZVFWFLSA-N 0 3 288.391 2.958 20 30 CFEDHN CC(C)CC[C@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000280321029 384972322 /nfs/dbraw/zinc/97/23/22/384972322.db2.gz PGYFCFAXJMMDMV-INIZCTEOSA-N 0 3 260.381 2.787 20 30 CFEDHN C[C@@H](CO)N(Cc1ccc(C#N)cc1F)CC1CCC1 ZINC000280366581 384991991 /nfs/dbraw/zinc/99/19/91/384991991.db2.gz KDLJLGVTROBBHI-LBPRGKRZSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000280372095 384994443 /nfs/dbraw/zinc/99/44/43/384994443.db2.gz DPRZVAJTMXWIKP-RYUDHWBXSA-N 0 3 264.394 2.745 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@H]1CNCc2ccccc21 ZINC000638875433 385008505 /nfs/dbraw/zinc/00/85/05/385008505.db2.gz TUPRQASTFFUALH-INIZCTEOSA-N 0 3 286.419 2.982 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280426279 385013352 /nfs/dbraw/zinc/01/33/52/385013352.db2.gz XEDZLFGYZKVUMZ-NEPJUHHUSA-N 0 3 280.799 2.724 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C2CC2)CC1 ZINC000644719718 385018125 /nfs/dbraw/zinc/01/81/25/385018125.db2.gz CQYZYNJBHFTIFB-CQSZACIVSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)C)c1ccccc1 ZINC000270312474 385050717 /nfs/dbraw/zinc/05/07/17/385050717.db2.gz RHTUXHKXNWRQRR-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1csc(CC)n1 ZINC000280552996 385059450 /nfs/dbraw/zinc/05/94/50/385059450.db2.gz FALBZXBVNOQMAL-SMDDNHRTSA-N 0 3 266.410 2.776 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nccn1-c1ccccc1 ZINC000280615386 385086071 /nfs/dbraw/zinc/08/60/71/385086071.db2.gz KMRHNSMXFCQWPN-YJBOKZPZSA-N 0 3 297.402 2.943 20 30 CFEDHN C=CCN(CCn1ccnc1C)Cc1cccc(C#N)c1 ZINC000270684625 385190068 /nfs/dbraw/zinc/19/00/68/385190068.db2.gz VWHKRALEFVXMBV-UHFFFAOYSA-N 0 3 280.375 2.751 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1cccn(C(F)F)c1=O ZINC000639112439 385207404 /nfs/dbraw/zinc/20/74/04/385207404.db2.gz QFXIXYURVQKOJN-GFCCVEGCSA-N 0 3 268.307 2.784 20 30 CFEDHN C#C[C@H](NCc1ccnn1-c1ccccc1)C(C)C ZINC000289095744 197233415 /nfs/dbraw/zinc/23/34/15/197233415.db2.gz BUXVRYLBMVGWMH-INIZCTEOSA-N 0 3 253.349 2.620 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000282418667 385306817 /nfs/dbraw/zinc/30/68/17/385306817.db2.gz BJCINMAZFOCDDC-GOSISDBHSA-N 0 3 280.371 2.998 20 30 CFEDHN C=CCc1cc(CN2CCC(OC)CC2)cc(OC)c1O ZINC000271049295 385319715 /nfs/dbraw/zinc/31/97/15/385319715.db2.gz UGUYTRJJHQPDDS-UHFFFAOYSA-N 0 3 291.391 2.740 20 30 CFEDHN C#CCCCc1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000289068289 197226879 /nfs/dbraw/zinc/22/68/79/197226879.db2.gz GSGXCFYAWAITMV-UHFFFAOYSA-N 0 3 299.374 2.633 20 30 CFEDHN COc1cc(CN2CC[C@@H](OC)C[C@H]2C)ccc1C#N ZINC000282328254 385284050 /nfs/dbraw/zinc/28/40/50/385284050.db2.gz OASBZTGMFPXCMN-IUODEOHRSA-N 0 3 274.364 2.566 20 30 CFEDHN C=CCOc1ccc(CN(CCO)CCCC)cc1OC ZINC000270983275 385291687 /nfs/dbraw/zinc/29/16/87/385291687.db2.gz FBUYBFSZLHNWTB-UHFFFAOYSA-N 0 3 293.407 2.854 20 30 CFEDHN COc1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)ccc1C#N ZINC000282360040 385292603 /nfs/dbraw/zinc/29/26/03/385292603.db2.gz PRTJDAZPDNRVOO-OKILXGFUSA-N 0 3 256.349 2.655 20 30 CFEDHN COc1cc(CN2CCC(n3ccnc3)CC2)ccc1C#N ZINC000282377590 385296502 /nfs/dbraw/zinc/29/65/02/385296502.db2.gz QMZVBUMTGPMUNR-UHFFFAOYSA-N 0 3 296.374 2.600 20 30 CFEDHN N#Cc1ccc(OC2CCN(CC3=CCCOC3)CC2)cc1 ZINC000271152642 385352771 /nfs/dbraw/zinc/35/27/71/385352771.db2.gz FPYXASCAEHTYKC-UHFFFAOYSA-N 0 3 298.386 2.748 20 30 CFEDHN C#Cc1ccc(CN2CCC(CC(=O)OCC)CC2)cc1 ZINC000289021874 197215601 /nfs/dbraw/zinc/21/56/01/197215601.db2.gz GHDHBFDKWVVPGX-UHFFFAOYSA-N 0 3 285.387 2.833 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000272006676 385423982 /nfs/dbraw/zinc/42/39/82/385423982.db2.gz SLLAUVKXTZRJSO-QZTJIDSGSA-N 0 3 278.355 2.648 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000336177997 533116447 /nfs/dbraw/zinc/11/64/47/533116447.db2.gz NDDAFKADXFGJDQ-BQBZGAKWSA-N 0 3 287.182 2.847 20 30 CFEDHN C[C@H](NCCNc1ccccn1)c1ccc(C#N)cc1 ZINC000271912406 385399074 /nfs/dbraw/zinc/39/90/74/385399074.db2.gz YETPHSVEVMAHGB-ZDUSSCGKSA-N 0 3 266.348 2.716 20 30 CFEDHN C=CCn1cc(CNC[C@@H](C)C2CCCCC2)nn1 ZINC000639273797 385402964 /nfs/dbraw/zinc/40/29/64/385402964.db2.gz FSKVWWGEEIXXFZ-CYBMUJFWSA-N 0 3 262.401 2.770 20 30 CFEDHN C[C@H](Cn1ccnc1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937462 385406131 /nfs/dbraw/zinc/40/61/31/385406131.db2.gz NRQFPXOWWOPMRG-NEPJUHHUSA-N 0 3 272.327 2.633 20 30 CFEDHN CCC(CC)(CCO)NCc1ccc(C#N)cc1F ZINC000283032947 385426172 /nfs/dbraw/zinc/42/61/72/385426172.db2.gz QMBMOJLJUHKKCP-UHFFFAOYSA-N 0 3 264.344 2.728 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271970861 385414883 /nfs/dbraw/zinc/41/48/83/385414883.db2.gz UJPCFZBXBBXSJA-GFCCVEGCSA-N 0 3 262.328 2.941 20 30 CFEDHN C[C@@H](NC[C@H]1CCCCO1)c1ccc(C#N)c(F)c1 ZINC000271990890 385420146 /nfs/dbraw/zinc/42/01/46/385420146.db2.gz ZERJNVXSTFWDEY-BXUZGUMPSA-N 0 3 262.328 2.917 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272062949 385439220 /nfs/dbraw/zinc/43/92/20/385439220.db2.gz IGCPEWOMJIWHIV-BLLLJJGKSA-N 0 3 290.382 2.866 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000272021609 385428077 /nfs/dbraw/zinc/42/80/77/385428077.db2.gz SBBAFEKAYDXSKW-ABAIWWIYSA-N 0 3 262.328 2.745 20 30 CFEDHN COc1ccc(CN[C@H](C)[C@H]2CCCCO2)cc1C#N ZINC000272047401 385434358 /nfs/dbraw/zinc/43/43/58/385434358.db2.gz XHEVWFBFKAEEBF-IUODEOHRSA-N 0 3 274.364 2.614 20 30 CFEDHN COc1ccc(CN[C@@H](C)[C@H]2CCCCO2)cc1C#N ZINC000272047402 385435626 /nfs/dbraw/zinc/43/56/26/385435626.db2.gz XHEVWFBFKAEEBF-SWLSCSKDSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)c1cccc(Br)c1 ZINC000272466406 385544353 /nfs/dbraw/zinc/54/43/53/385544353.db2.gz FBMPKTUQHWTHAG-ZDUSSCGKSA-N 0 3 284.197 2.990 20 30 CFEDHN C=CCOCCN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000272519081 385557560 /nfs/dbraw/zinc/55/75/60/385557560.db2.gz HQDVORLONUVAAE-CQSZACIVSA-N 0 3 279.380 2.947 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000285947222 385559013 /nfs/dbraw/zinc/55/90/13/385559013.db2.gz CBVQPSMMWBXGGX-UWWQBHOKSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286351088 385596319 /nfs/dbraw/zinc/59/63/19/385596319.db2.gz YTESEQLCGNLEHE-NSHDSACASA-N 0 3 292.404 2.587 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](COC)OC)cc1Cl ZINC000272638260 385581252 /nfs/dbraw/zinc/58/12/52/385581252.db2.gz CAUVAQSRPFFJFY-ZDUSSCGKSA-N 0 3 299.798 2.656 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1CCc2ncnn21 ZINC000639618321 385616834 /nfs/dbraw/zinc/61/68/34/385616834.db2.gz IUKGIXKHBGHRJW-MRXNPFEDSA-N 0 3 282.391 2.844 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](C)C(C)(C)c1ccccc1 ZINC000272889458 385642738 /nfs/dbraw/zinc/64/27/38/385642738.db2.gz SIQRHIHRJPTGFA-AWEZNQCLSA-N 0 3 295.448 2.543 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC[C@@H](C)OC)C(C)C ZINC000272898546 385645218 /nfs/dbraw/zinc/64/52/18/385645218.db2.gz BFSUSQWHQQPIGQ-CVEARBPZSA-N 0 3 296.455 2.616 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC[C@@H](C)OC)C(C)C ZINC000272898554 385646142 /nfs/dbraw/zinc/64/61/42/385646142.db2.gz BFSUSQWHQQPIGQ-HZPDHXFCSA-N 0 3 296.455 2.616 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CCCc2ccc(C)cc21 ZINC000272917776 385652870 /nfs/dbraw/zinc/65/28/70/385652870.db2.gz XPTWKJMDCYLZNX-MRXNPFEDSA-N 0 3 293.432 2.563 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000274033688 385703724 /nfs/dbraw/zinc/70/37/24/385703724.db2.gz BUSCMTHMMLXTII-GOEBONIOSA-N 0 3 274.339 2.745 20 30 CFEDHN CC#CCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000274056237 385710141 /nfs/dbraw/zinc/71/01/41/385710141.db2.gz HMNPEBQQLPNNFI-UHFFFAOYSA-N 0 3 288.366 2.890 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccco1 ZINC000287019431 385763622 /nfs/dbraw/zinc/76/36/22/385763622.db2.gz LBGGUQXVHWKTPD-KBPBESRZSA-N 0 3 297.420 2.701 20 30 CFEDHN C=CCC[C@@H](C(=O)N[C@@H](C)CN(C)C)c1ccccc1 ZINC000287265233 385815941 /nfs/dbraw/zinc/81/59/41/385815941.db2.gz SCYRJOFANKCNML-GOEBONIOSA-N 0 3 274.408 2.803 20 30 CFEDHN C=CCOc1ccc(CNCCC(C)(C)O)cc1OC ZINC000274769843 385867328 /nfs/dbraw/zinc/86/73/28/385867328.db2.gz RFBSQLAWENIEHH-UHFFFAOYSA-N 0 3 279.380 2.511 20 30 CFEDHN C=C(C)[C@H](NC(=O)/C=C/CN(C)C)c1ccc(F)c(F)c1 ZINC000274796957 385872983 /nfs/dbraw/zinc/87/29/83/385872983.db2.gz OEIWANVBEXEQKW-JFDDCEBESA-N 0 3 294.345 2.816 20 30 CFEDHN C=CCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274847469 385882901 /nfs/dbraw/zinc/88/29/01/385882901.db2.gz XUCUZEBLBSQWNN-OAHLLOKOSA-N 0 3 259.328 2.814 20 30 CFEDHN C=CCc1cc(CNCC2=CCCOC2)cc(OC)c1O ZINC000288527510 197103375 /nfs/dbraw/zinc/10/33/75/197103375.db2.gz VIVKVEKOCYZYCW-UHFFFAOYSA-N 0 3 289.375 2.566 20 30 CFEDHN C#CCC1(C(=O)N[C@H](C)C2=CCN(C)CC2)CCCCC1 ZINC000276734040 386028610 /nfs/dbraw/zinc/02/86/10/386028610.db2.gz YGNXKWQNFFGUFK-OAHLLOKOSA-N 0 3 288.435 2.727 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288469546 197087188 /nfs/dbraw/zinc/08/71/88/197087188.db2.gz ZZHQEIAIXVDOGA-HOCLYGCPSA-N 0 3 272.392 2.732 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000277030627 386112112 /nfs/dbraw/zinc/11/21/12/386112112.db2.gz OBUMIBOFTWDLQE-AEFFLSMTSA-N 0 3 298.430 2.817 20 30 CFEDHN Cn1cc(CNC2(c3ccccc3)CC2)cc1C#N ZINC000276951542 386089562 /nfs/dbraw/zinc/08/95/62/386089562.db2.gz JTLUAQICWRIRPZ-UHFFFAOYSA-N 0 3 251.333 2.676 20 30 CFEDHN COCC#CCN[C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000681564474 542464996 /nfs/dbraw/zinc/46/49/96/542464996.db2.gz MRTKRTDMQKXCEE-MSOLQXFVSA-N 0 3 287.403 2.924 20 30 CFEDHN Cc1nsc(NCC(C)(C)CN2CCCC2)c1C#N ZINC000287630376 196904677 /nfs/dbraw/zinc/90/46/77/196904677.db2.gz HDVDMNRKSMMYRA-UHFFFAOYSA-N 0 3 278.425 2.857 20 30 CFEDHN C=CC[C@H](CC)NCc1cc(C(=O)OC)c(C)o1 ZINC000281237185 195161970 /nfs/dbraw/zinc/16/19/70/195161970.db2.gz LLHRODBQPIZJBA-NSHDSACASA-N 0 3 251.326 2.819 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2ccccc2)C1=O ZINC000281338191 195202436 /nfs/dbraw/zinc/20/24/36/195202436.db2.gz WFXTZOXENLZDHU-LSDHHAIUSA-N 0 3 258.365 2.514 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)c2ccccc2)C1=O ZINC000281366156 195212981 /nfs/dbraw/zinc/21/29/81/195212981.db2.gz VEAHSSGNTKKAIV-GDBMZVCRSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3cccc(C)c3)C2)C1=O ZINC000281363137 195211732 /nfs/dbraw/zinc/21/17/32/195211732.db2.gz NZVSPSRXRPNLRJ-IAGOWNOFSA-N 0 3 284.403 2.571 20 30 CFEDHN CSCCCN(C)CCOc1ccc(C#N)cc1 ZINC000281396101 195225548 /nfs/dbraw/zinc/22/55/48/195225548.db2.gz NEKRTPBIYLSVNH-UHFFFAOYSA-N 0 3 264.394 2.622 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccco1 ZINC000287019435 196760292 /nfs/dbraw/zinc/76/02/92/196760292.db2.gz LBGGUQXVHWKTPD-KGLIPLIRSA-N 0 3 297.420 2.701 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000186698244 260004808 /nfs/dbraw/zinc/00/48/08/260004808.db2.gz OQQUGYSYBZPRIA-PWSUYJOCSA-N 0 3 293.798 2.814 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](CC)c1cc(C)ccc1OC ZINC000186684202 260004878 /nfs/dbraw/zinc/00/48/78/260004878.db2.gz KQZVIZPLBWSYNA-DZGCQCFKSA-N 0 3 263.381 2.981 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000186698231 260004907 /nfs/dbraw/zinc/00/49/07/260004907.db2.gz OQQUGYSYBZPRIA-JQWIXIFHSA-N 0 3 293.798 2.814 20 30 CFEDHN C=C(Cl)CN[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000364845347 262262540 /nfs/dbraw/zinc/26/25/40/262262540.db2.gz WDOZZDNSQNRFEZ-DOMZBBRYSA-N 0 3 279.815 2.634 20 30 CFEDHN C=CCOCCCN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495516335 262277966 /nfs/dbraw/zinc/27/79/66/262277966.db2.gz ZBGUMQQLEIUBBA-CQSZACIVSA-N 0 3 298.427 2.520 20 30 CFEDHN CCN(CC#CCOC)Cc1c[nH]c2ccccc12 ZINC000682372731 542543361 /nfs/dbraw/zinc/54/33/61/542543361.db2.gz PWZUPEFPCMBSPD-UHFFFAOYSA-N 0 3 256.349 2.640 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000311758051 262340775 /nfs/dbraw/zinc/34/07/75/262340775.db2.gz UQLDZWZFYVTDBD-LBPRGKRZSA-N 0 3 265.353 2.557 20 30 CFEDHN FC(F)[C@H]1CCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000682531353 542563763 /nfs/dbraw/zinc/56/37/63/542563763.db2.gz CQBLRYFUGOOMNP-ZETCQYMHSA-N 0 3 297.214 2.788 20 30 CFEDHN COc1cc(CN[C@@]2(C)CCO[C@@H]2C2CC2)ccc1C#N ZINC000281661311 195325761 /nfs/dbraw/zinc/32/57/61/195325761.db2.gz KVACLYLOMAWCBV-SJORKVTESA-N 0 3 286.375 2.614 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CNCc2ccc(C#N)cc2)c1 ZINC000282418673 195603700 /nfs/dbraw/zinc/60/37/00/195603700.db2.gz BJCINMAZFOCDDC-SFHVURJKSA-N 0 3 280.371 2.998 20 30 CFEDHN N#Cc1ccc(CNCCc2cc(F)cc(F)c2)o1 ZINC000135168377 413047428 /nfs/dbraw/zinc/04/74/28/413047428.db2.gz GVKZUYONEMYCHI-UHFFFAOYSA-N 0 3 262.259 2.762 20 30 CFEDHN O[C@]12CCCC[C@H]1CN(CC#Cc1ccccc1)CC2 ZINC000220387900 285379014 /nfs/dbraw/zinc/37/90/14/285379014.db2.gz YECFPGWGIHWIAU-ROUUACIJSA-N 0 3 269.388 2.665 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000414499110 533355952 /nfs/dbraw/zinc/35/59/52/533355952.db2.gz JKGNFADZROTDET-IINYFYTJSA-N 0 3 264.394 2.913 20 30 CFEDHN C[C@@H](NCC1(CCO)CC1)c1ccc(C#N)cc1F ZINC000427983428 533357850 /nfs/dbraw/zinc/35/78/50/533357850.db2.gz UITVNIFMOOCXJR-LLVKDONJSA-N 0 3 262.328 2.511 20 30 CFEDHN COC(=O)[C@H]1CC12CCN([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000275572337 533374523 /nfs/dbraw/zinc/37/45/23/533374523.db2.gz IEUVTZBMYLYJEL-XJKSGUPXSA-N 0 3 298.386 2.894 20 30 CFEDHN C[C@@H](N[C@@H]1CCO[C@@H]1C)C(=O)NC1CCC(C)CC1 ZINC000330304882 533525195 /nfs/dbraw/zinc/52/51/95/533525195.db2.gz KQKQDCHKPYVMOZ-QNOVJUQQSA-N 0 3 268.401 2.677 20 30 CFEDHN Cc1ccc(C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000354462431 533655409 /nfs/dbraw/zinc/65/54/09/533655409.db2.gz HLQFHJHGMVAJKI-ZDUSSCGKSA-N 0 3 251.289 2.584 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191498576 130245313 /nfs/dbraw/zinc/24/53/13/130245313.db2.gz GEPKLXVKIDAWAP-WCQYABFASA-N 0 3 265.401 2.534 20 30 CFEDHN C[C@](CO)(CNCc1cc(C#N)cs1)c1ccccc1 ZINC000342195038 130329145 /nfs/dbraw/zinc/32/91/45/130329145.db2.gz FSPOKUPTONSHRB-MRXNPFEDSA-N 0 3 286.400 2.660 20 30 CFEDHN C[C@@H](O)CCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356116528 130375904 /nfs/dbraw/zinc/37/59/04/130375904.db2.gz VCEBMMNFYCMYII-SNVBAGLBSA-N 0 3 286.297 2.780 20 30 CFEDHN CCC#C[C@H](C)N(C)CCCc1nccn1CCC ZINC000683225248 542656083 /nfs/dbraw/zinc/65/60/83/542656083.db2.gz ZZCRCHOUDRLZCU-HNNXBMFYSA-N 0 3 261.413 2.959 20 30 CFEDHN C=CCN(C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000249453315 131120891 /nfs/dbraw/zinc/12/08/91/131120891.db2.gz MUXWEDNCVFGJNO-RDJZCZTQSA-N 0 3 275.392 2.559 20 30 CFEDHN C=CC[C@H]1N(CCCCS(C)(=O)=O)CCCC1(C)C ZINC000683528285 542693397 /nfs/dbraw/zinc/69/33/97/542693397.db2.gz PFOQLLTVIURLPM-CQSZACIVSA-N 0 3 287.469 2.878 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1ccc(F)c(F)c1 ZINC000268655123 132043624 /nfs/dbraw/zinc/04/36/24/132043624.db2.gz PQXNPRMSZGIBRC-LBPRGKRZSA-N 0 3 255.308 2.724 20 30 CFEDHN CC(C)[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCS1 ZINC000268707918 132053746 /nfs/dbraw/zinc/05/37/46/132053746.db2.gz STBQJGWLYOYQCF-CVEARBPZSA-N 0 3 290.432 2.665 20 30 CFEDHN COCC#CCN1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000683799521 542726259 /nfs/dbraw/zinc/72/62/59/542726259.db2.gz CDFKKQUMARYPIK-NVXWUHKLSA-N 0 3 257.377 2.823 20 30 CFEDHN C[C@H](O)CC(C)(C)CNCc1ccc(C#N)cc1F ZINC000269401617 132165529 /nfs/dbraw/zinc/16/55/29/132165529.db2.gz GFVJILDWQNLJKG-NSHDSACASA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)cc1F)c1ccsc1 ZINC000269418358 132167874 /nfs/dbraw/zinc/16/78/74/132167874.db2.gz KWUBLXNHEWYWMP-HNNXBMFYSA-N 0 3 290.363 2.756 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000269436743 132170355 /nfs/dbraw/zinc/17/03/55/132170355.db2.gz RJWMCFDWILROKV-CABCVRRESA-N 0 3 262.328 2.745 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000178791528 393449264 /nfs/dbraw/zinc/44/92/64/393449264.db2.gz BNWGSTXOFZSLKP-LSDHHAIUSA-N 0 3 276.355 2.991 20 30 CFEDHN CCCCCCCN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372622897 393452446 /nfs/dbraw/zinc/45/24/46/393452446.db2.gz XGIILDGZVMBPLJ-CQSZACIVSA-N 0 3 254.374 2.531 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000373899772 393475949 /nfs/dbraw/zinc/47/59/49/393475949.db2.gz YLVNWCBVEQOFEJ-DOTOQJQBSA-N 0 3 273.376 2.862 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000186260734 393543783 /nfs/dbraw/zinc/54/37/83/393543783.db2.gz OLCPZXWYKOBISL-HOTGVXAUSA-N 0 3 288.416 2.573 20 30 CFEDHN C=CC[C@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000184270759 393526168 /nfs/dbraw/zinc/52/61/68/393526168.db2.gz XTGHFEBNBPZCGX-CYBMUJFWSA-N 0 3 274.389 2.837 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000320429747 393528254 /nfs/dbraw/zinc/52/82/54/393528254.db2.gz URJLAADNYKUWBS-GFCCVEGCSA-N 0 3 297.782 2.528 20 30 CFEDHN Cn1c2ccccc2nc1CNCC(C)(C)CCC#N ZINC000184747467 393529933 /nfs/dbraw/zinc/52/99/33/393529933.db2.gz MPEQGAGSCVFBNY-UHFFFAOYSA-N 0 3 270.380 2.993 20 30 CFEDHN C=CCSCCNCc1ccc(OC)c(F)c1 ZINC000222057651 413066377 /nfs/dbraw/zinc/06/63/77/413066377.db2.gz HCCWUKWAUDOXGQ-UHFFFAOYSA-N 0 3 255.358 2.843 20 30 CFEDHN C=CCSCCNCc1ccc(OC)c(OC)c1 ZINC000222061546 413066466 /nfs/dbraw/zinc/06/64/66/413066466.db2.gz FDPDEFOMWLAKHD-UHFFFAOYSA-N 0 3 267.394 2.713 20 30 CFEDHN C=CCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334638590 393612606 /nfs/dbraw/zinc/61/26/06/393612606.db2.gz ZVDTUULPKPJNFQ-MRXNPFEDSA-N 0 3 257.333 2.672 20 30 CFEDHN CC[C@H]1CN(CCOc2cccc(C#N)c2)CCS1 ZINC000076073844 393683621 /nfs/dbraw/zinc/68/36/21/393683621.db2.gz IYZQZMFLOYVTFZ-HNNXBMFYSA-N 0 3 276.405 2.764 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccccc1N(C)C ZINC000411641763 393733992 /nfs/dbraw/zinc/73/39/92/393733992.db2.gz MEWRGHYEMPNHRR-UHFFFAOYSA-N 0 3 275.440 2.692 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000336495369 393738282 /nfs/dbraw/zinc/73/82/82/393738282.db2.gz UYWHSLJFBOMUJN-WBVHZDCISA-N 0 3 273.351 2.678 20 30 CFEDHN C[C@H](CC#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411749215 393744947 /nfs/dbraw/zinc/74/49/47/393744947.db2.gz VCJIDPRIRITYJB-CQSZACIVSA-N 0 3 285.391 2.704 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411978731 393758317 /nfs/dbraw/zinc/75/83/17/393758317.db2.gz BTPHOCQWYOCTLP-FUHWJXTLSA-N 0 3 288.435 2.520 20 30 CFEDHN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C(C)C#N ZINC000335729450 393694226 /nfs/dbraw/zinc/69/42/26/393694226.db2.gz IFVFXKHEIVOSOR-IUODEOHRSA-N 0 3 296.374 2.879 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCC#Cc1ccc(F)cc1)C1CC1 ZINC000411974833 393758891 /nfs/dbraw/zinc/75/88/91/393758891.db2.gz UUWBHVXQZFUFLU-DYVFJYSZSA-N 0 3 275.367 2.970 20 30 CFEDHN C[C@@H]1CN(C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000335815934 393702372 /nfs/dbraw/zinc/70/23/72/393702372.db2.gz JOQHHATWQHELCC-CQSZACIVSA-N 0 3 271.408 2.624 20 30 CFEDHN CC(C)CN(CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000194853393 393719863 /nfs/dbraw/zinc/71/98/63/393719863.db2.gz VXJFZBKLOONBLE-UHFFFAOYSA-N 0 3 279.428 2.695 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000336171925 393721816 /nfs/dbraw/zinc/72/18/16/393721816.db2.gz ARKSULDCNCLDAA-SECBINFHSA-N 0 3 293.164 2.714 20 30 CFEDHN COC(=O)[C@H]1CCN(CCC2(C#N)CCCCC2)[C@H]1C ZINC000411620413 393730562 /nfs/dbraw/zinc/73/05/62/393730562.db2.gz PKNCLZQCHHXFFD-KBPBESRZSA-N 0 3 278.396 2.734 20 30 CFEDHN C[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000340032647 393834496 /nfs/dbraw/zinc/83/44/96/393834496.db2.gz AUBJPVYIUSRSSY-XYPHTWIQSA-N 0 3 295.386 2.793 20 30 CFEDHN CC(C)(C)[C@@H](CCO)NCc1ccc(C#N)s1 ZINC000231073471 393780538 /nfs/dbraw/zinc/78/05/38/393780538.db2.gz VWTUFNHGXZPESH-GFCCVEGCSA-N 0 3 252.383 2.506 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000338344529 393781909 /nfs/dbraw/zinc/78/19/09/393781909.db2.gz NFXNPSMWOKUJFE-HUUCEWRRSA-N 0 3 293.455 2.895 20 30 CFEDHN CC1(C)C[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000413958998 393792269 /nfs/dbraw/zinc/79/22/69/393792269.db2.gz PTZFMPBXWKLBDG-KGLIPLIRSA-N 0 3 256.349 2.674 20 30 CFEDHN CCCCN(C)C(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338930679 393805618 /nfs/dbraw/zinc/80/56/18/393805618.db2.gz WGSMOEJOFZQZTN-GOEBONIOSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCOCCN1CCC[C@H](Oc2ccccc2)C1 ZINC000338997624 393808460 /nfs/dbraw/zinc/80/84/60/393808460.db2.gz QHHMCOWXPDNKNI-INIZCTEOSA-N 0 3 261.365 2.732 20 30 CFEDHN C[C@@]1(c2ccccc2)CCN(CCOCCC#N)C1 ZINC000339013260 393809647 /nfs/dbraw/zinc/80/96/47/393809647.db2.gz ISNHHOWBWLHMSF-MRXNPFEDSA-N 0 3 258.365 2.580 20 30 CFEDHN C=CCOCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000339058990 393813795 /nfs/dbraw/zinc/81/37/95/393813795.db2.gz MERJZBAVOSTTRV-OAHLLOKOSA-N 0 3 281.783 2.996 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCCN1CC ZINC000342984424 393876922 /nfs/dbraw/zinc/87/69/22/393876922.db2.gz ASCIHPUYHSEBTI-GJZGRUSLSA-N 0 3 281.444 2.905 20 30 CFEDHN CCCc1ccc([C@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000343038417 393878857 /nfs/dbraw/zinc/87/88/57/393878857.db2.gz RTHMOJZRMBEBJU-QGZVFWFLSA-N 0 3 287.407 2.566 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000345682508 393913200 /nfs/dbraw/zinc/91/32/00/393913200.db2.gz ZMEGFQUFJSIXQV-OLZOCXBDSA-N 0 3 274.389 2.787 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000345496084 393909707 /nfs/dbraw/zinc/90/97/07/393909707.db2.gz YJQUUJGFJQEZAQ-GHMZBOCLSA-N 0 3 287.450 2.842 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341799849 393858037 /nfs/dbraw/zinc/85/80/37/393858037.db2.gz CWEXMLHAPQZPAE-CXAGYDPISA-N 0 3 280.375 2.810 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000416401582 393915824 /nfs/dbraw/zinc/91/58/24/393915824.db2.gz UKNMUFJBVBVXIX-GZMMTYOYSA-N 0 3 297.280 2.622 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000345748235 393915987 /nfs/dbraw/zinc/91/59/87/393915987.db2.gz JADKFGCJQNQNJO-LBPRGKRZSA-N 0 3 299.374 2.591 20 30 CFEDHN CCC[C@@]1(C)CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346286470 393925707 /nfs/dbraw/zinc/92/57/07/393925707.db2.gz VAHMLPMJNDLRES-HOCLYGCPSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000346305841 393926032 /nfs/dbraw/zinc/92/60/32/393926032.db2.gz HHDHIQCBLYJVHX-INIZCTEOSA-N 0 3 289.423 2.902 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000347108821 393936582 /nfs/dbraw/zinc/93/65/82/393936582.db2.gz PHVZDGSJBQPXGU-HLUHBDAQSA-N 0 3 282.265 2.837 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347484078 393941400 /nfs/dbraw/zinc/94/14/00/393941400.db2.gz MTBYFAVOQZKBDO-CQSZACIVSA-N 0 3 266.429 2.827 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000121052339 393946786 /nfs/dbraw/zinc/94/67/86/393946786.db2.gz BPAWFYSZMXVOCE-SOUVJXGZSA-N 0 3 266.429 2.777 20 30 CFEDHN CCOC(=O)c1c(NC(=O)C(C)C#N)sc(C)c1CC ZINC000346187369 393922438 /nfs/dbraw/zinc/92/24/38/393922438.db2.gz RRMWHJOQRDALRC-MRVPVSSYSA-N 0 3 294.376 2.894 20 30 CFEDHN C[C@@H]1[C@H](C)CN(Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000418135241 394017775 /nfs/dbraw/zinc/01/77/75/394017775.db2.gz QVRLVNFQVWAYEG-UPJWGTAASA-N 0 3 268.364 2.682 20 30 CFEDHN N=C(NC[C@@H](O)C1CCCCC1)Nc1cc(F)ccc1F ZINC000262242414 393954037 /nfs/dbraw/zinc/95/40/37/393954037.db2.gz BUPGHVRXLBMQGY-CQSZACIVSA-N 0 3 297.349 2.633 20 30 CFEDHN COc1cc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)ccn1 ZINC000348683265 393956683 /nfs/dbraw/zinc/95/66/83/393956683.db2.gz OJIZDCGPCYIMQG-SGMGOOAPSA-N 0 3 259.353 2.823 20 30 CFEDHN COc1cc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)ccn1 ZINC000348683262 393956746 /nfs/dbraw/zinc/95/67/46/393956746.db2.gz OJIZDCGPCYIMQG-OBJOEFQTSA-N 0 3 259.353 2.823 20 30 CFEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000348920203 393960517 /nfs/dbraw/zinc/96/05/17/393960517.db2.gz JBDSPHFXYCQOJS-WFASDCNBSA-N 0 3 272.348 2.645 20 30 CFEDHN C[C@@H]1C[C@@H]1N1CCN(Cc2cc(C#N)cs2)C[C@@H](C)C1 ZINC000430133297 393960988 /nfs/dbraw/zinc/96/09/88/393960988.db2.gz YQPBPMMJWLRLOD-IOASZLSFSA-N 0 3 289.448 2.782 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000349601592 393971233 /nfs/dbraw/zinc/97/12/33/393971233.db2.gz STMMAQVHLFCDOR-GYSYKLTISA-N 0 3 260.312 2.895 20 30 CFEDHN CC(C)N1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000265171421 393973154 /nfs/dbraw/zinc/97/31/54/393973154.db2.gz YPFYGWOGPRXGRR-UHFFFAOYSA-N 0 3 278.787 2.527 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC(C)=C[C@H](C)C1 ZINC000430264486 393975328 /nfs/dbraw/zinc/97/53/28/393975328.db2.gz RHELUSYKFBVMSZ-LBPRGKRZSA-N 0 3 256.349 2.965 20 30 CFEDHN COc1ccc(CN2CC(C)=C[C@H](C)C2)cc1C#N ZINC000430267057 393975785 /nfs/dbraw/zinc/97/57/85/393975785.db2.gz ZSERWVISLIYIGM-LBPRGKRZSA-N 0 3 256.349 2.965 20 30 CFEDHN C=CCCCN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000350476216 393977221 /nfs/dbraw/zinc/97/72/21/393977221.db2.gz JLIXFNPLRCIZEM-GJZGRUSLSA-N 0 3 252.402 2.674 20 30 CFEDHN C=C(C)CCN1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000352399776 394013753 /nfs/dbraw/zinc/01/37/53/394013753.db2.gz BGRLCQBZBRNDSD-KKUMJFAQSA-N 0 3 253.386 2.611 20 30 CFEDHN C=CCN(C)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000490933876 394045086 /nfs/dbraw/zinc/04/50/86/394045086.db2.gz FJJZVHGKGROKKO-UHFFFAOYSA-N 0 3 272.392 2.929 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000491392543 394049311 /nfs/dbraw/zinc/04/93/11/394049311.db2.gz CREPVVYRAPVRJF-AWEZNQCLSA-N 0 3 298.386 2.608 20 30 CFEDHN C#C[C@H](NCc1cn[nH]c1C)c1ccc(Cl)cc1F ZINC000491627050 394054628 /nfs/dbraw/zinc/05/46/28/394054628.db2.gz JOSSRGQTWZICHW-AWEZNQCLSA-N 0 3 277.730 2.975 20 30 CFEDHN C#C[C@H](CC)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000491632748 394054739 /nfs/dbraw/zinc/05/47/39/394054739.db2.gz QJYFTCWGEWAUNI-FWLQQBITSA-N 0 3 258.321 3.000 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278748601 394062694 /nfs/dbraw/zinc/06/26/94/394062694.db2.gz LZMRZJJJYHIMOQ-GXTWGEPZSA-N 0 3 298.308 2.866 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)C(C)(C)c2ccccc2)C1=O ZINC000281969177 394102327 /nfs/dbraw/zinc/10/23/27/394102327.db2.gz KZJGORXQYNSDNP-ZBFHGGJFSA-N 0 3 286.419 2.729 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000355509372 394067070 /nfs/dbraw/zinc/06/70/70/394067070.db2.gz AUPHJEDYBLAQKZ-VBQJREDUSA-N 0 3 297.402 2.589 20 30 CFEDHN C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCCC[C@@H]1C ZINC000437674829 394067911 /nfs/dbraw/zinc/06/79/11/394067911.db2.gz OSZWAQLMWJSOGH-NWDGAFQWSA-N 0 3 291.420 2.612 20 30 CFEDHN CN(C)[C@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000355626527 394068701 /nfs/dbraw/zinc/06/87/01/394068701.db2.gz VZHYBMCXEJVRLC-IRXDYDNUSA-N 0 3 299.418 2.627 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCOC1 ZINC000437804760 394077052 /nfs/dbraw/zinc/07/70/52/394077052.db2.gz VVLSDTXVBJMFPU-GFCCVEGCSA-N 0 3 296.317 2.628 20 30 CFEDHN COc1cc(CNCc2ccc(N(C)C)cc2)ccc1C#N ZINC000281834572 394080669 /nfs/dbraw/zinc/08/06/69/394080669.db2.gz YAMGMRSNWQZLED-UHFFFAOYSA-N 0 3 295.386 2.923 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000442669276 394139399 /nfs/dbraw/zinc/13/93/99/394139399.db2.gz GNSZGOZWPBDNTR-BFYDXBDKSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285532610 394144208 /nfs/dbraw/zinc/14/42/08/394144208.db2.gz SNKRUXKVOUKEDP-BBWFWOEESA-N 0 3 284.403 2.557 20 30 CFEDHN CC#CCCN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000360448787 394152160 /nfs/dbraw/zinc/15/21/60/394152160.db2.gz QCCZGAWZLDUKAM-INIZCTEOSA-N 0 3 256.393 2.606 20 30 CFEDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](CC)c1ccc(C#N)cc1 ZINC000447590263 394152350 /nfs/dbraw/zinc/15/23/50/394152350.db2.gz BFELTDSXIWBKBF-YESZJQIVSA-N 0 3 288.391 2.793 20 30 CFEDHN COc1ccc(CN2CCC[C@H](CCO)CC2)cc1C#N ZINC000421017486 394158815 /nfs/dbraw/zinc/15/88/15/394158815.db2.gz NIJXIIYYJXCIFN-AWEZNQCLSA-N 0 3 288.391 2.551 20 30 CFEDHN CC(C)(C#N)CCCN1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000360851431 394160383 /nfs/dbraw/zinc/16/03/83/394160383.db2.gz QRRAPTJPPXUVAL-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CNC(=O)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000360922940 394161225 /nfs/dbraw/zinc/16/12/25/394161225.db2.gz ZNMISPSWNSKELK-KBMXLJTQSA-N 0 3 285.391 2.536 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000285942233 394170030 /nfs/dbraw/zinc/17/00/30/394170030.db2.gz DLDDGRQFGYPBMA-LLVKDONJSA-N 0 3 283.393 2.778 20 30 CFEDHN COC[C@H](CC(C)C)NCc1ccc(C#N)s1 ZINC000421354885 394197254 /nfs/dbraw/zinc/19/72/54/394197254.db2.gz XQCYCXAITNXGTR-NSHDSACASA-N 0 3 252.383 2.770 20 30 CFEDHN CC[C@@H](C)N(CC#Cc1cccc(Cl)c1)CCO ZINC000286723800 394199283 /nfs/dbraw/zinc/19/92/83/394199283.db2.gz BFKBCJQLKIXJKJ-CYBMUJFWSA-N 0 3 265.784 2.784 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)c(F)c1)CC(C)C ZINC000421375878 394208744 /nfs/dbraw/zinc/20/87/44/394208744.db2.gz DDKUTXIILCZNRX-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000448922257 394211301 /nfs/dbraw/zinc/21/13/01/394211301.db2.gz PZYLOKSSAYEBGQ-YCPHGPKFSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366563496 394245104 /nfs/dbraw/zinc/24/51/04/394245104.db2.gz XXEWSMYUAQOWEV-OLZOCXBDSA-N 0 3 266.385 2.504 20 30 CFEDHN C=CCN1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366563495 394245218 /nfs/dbraw/zinc/24/52/18/394245218.db2.gz XXEWSMYUAQOWEV-CHWSQXEVSA-N 0 3 266.385 2.504 20 30 CFEDHN C=CCC[C@@H](NCC(C)(C)C(=O)NC)c1ccco1 ZINC000286061313 394186615 /nfs/dbraw/zinc/18/66/15/394186615.db2.gz KPRRSJQRNMIAGW-GFCCVEGCSA-N 0 3 264.369 2.649 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)CC1CCN(C)CC1 ZINC000362548745 394187811 /nfs/dbraw/zinc/18/78/11/394187811.db2.gz XEIIRJGGRSRZAC-UHFFFAOYSA-N 0 3 292.448 2.995 20 30 CFEDHN N#Cc1sc(NCCCN2CCCCC2)nc1Cl ZINC000286092774 394191015 /nfs/dbraw/zinc/19/10/15/394191015.db2.gz KLGKLXANMAUKMW-UHFFFAOYSA-N 0 3 284.816 2.956 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc2c(cc1C#N)CCC2 ZINC000286239717 394195436 /nfs/dbraw/zinc/19/54/36/394195436.db2.gz FFYYKROSEDNHKO-BBRMVZONSA-N 0 3 296.418 2.505 20 30 CFEDHN C=CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156366724 394332645 /nfs/dbraw/zinc/33/26/45/394332645.db2.gz LIFNVFSRGHGMJG-UHFFFAOYSA-N 0 3 272.392 2.786 20 30 CFEDHN C=CCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000293882152 394285879 /nfs/dbraw/zinc/28/58/79/394285879.db2.gz XXEIAKGUCJTXKM-INIZCTEOSA-N 0 3 295.386 2.959 20 30 CFEDHN CC(C)[C@H]1CN(c2cccc(Cl)c2C#N)CCN1C ZINC000450481433 394293738 /nfs/dbraw/zinc/29/37/38/394293738.db2.gz WESPFFYVXWOCSF-OAHLLOKOSA-N 0 3 277.799 2.988 20 30 CFEDHN Fc1ccc(C#CCN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296082560 394305871 /nfs/dbraw/zinc/30/58/71/394305871.db2.gz QATWHMZEFPNZOI-BRWVUGGUSA-N 0 3 285.362 2.724 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCCCC#N)C1 ZINC000156592121 394335800 /nfs/dbraw/zinc/33/58/00/394335800.db2.gz XNEUGKRCGJUXMQ-CYBMUJFWSA-N 0 3 266.385 2.734 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1C(C)(C)CC ZINC000156679486 394337428 /nfs/dbraw/zinc/33/74/28/394337428.db2.gz SIRSCRSRXQYPBH-LSDHHAIUSA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C#N)cn2)CC12CCC2 ZINC000517038327 394370538 /nfs/dbraw/zinc/37/05/38/394370538.db2.gz XGPZPDFEHKFWFD-CYBMUJFWSA-N 0 3 255.365 2.965 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@H](c3cccnc3)C2)cc1 ZINC000519712754 394376447 /nfs/dbraw/zinc/37/64/47/394376447.db2.gz PVECLSIVAZFDBL-KRWDZBQOSA-N 0 3 293.370 2.822 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1(C)C ZINC000451507343 394376560 /nfs/dbraw/zinc/37/65/60/394376560.db2.gz WTDFBVKFUMNWFD-NUEKZKHPSA-N 0 3 257.377 2.687 20 30 CFEDHN COCCC[C@H](C)NCc1ccc(C#N)cc1F ZINC000177860340 394384957 /nfs/dbraw/zinc/38/49/57/394384957.db2.gz YYZUDXZSPBYNQD-NSHDSACASA-N 0 3 250.317 2.602 20 30 CFEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)CC ZINC000453347125 394388661 /nfs/dbraw/zinc/38/86/61/394388661.db2.gz FFQSTAWRYNTCRS-VQISRLSMSA-N 0 3 264.344 2.897 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000685055697 542891190 /nfs/dbraw/zinc/89/11/90/542891190.db2.gz JMMHJTPMGYPIFP-YJBOKZPZSA-N 0 3 289.394 2.855 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(C#N)s1 ZINC000527805220 394410213 /nfs/dbraw/zinc/41/02/13/394410213.db2.gz UUVXCQJKEZAPJW-BSTOTGJRSA-N 0 3 250.367 2.521 20 30 CFEDHN CC(C)(C)C1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000457355156 394441188 /nfs/dbraw/zinc/44/11/88/394441188.db2.gz PNMFGXIXHHMHDW-HNNXBMFYSA-N 0 3 295.386 2.745 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000685599549 542933297 /nfs/dbraw/zinc/93/32/97/542933297.db2.gz OCWDZUNUCMHBIQ-IAGOWNOFSA-N 0 3 287.403 2.607 20 30 CFEDHN CN(CCC(=O)Nc1ccc(F)c(C#N)c1)c1ccncc1 ZINC000543713193 394738703 /nfs/dbraw/zinc/73/87/03/394738703.db2.gz UTEBWIWYUBIRKS-UHFFFAOYSA-N 0 3 298.321 2.557 20 30 CFEDHN C[C@@H](NCCN1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000543763029 394742746 /nfs/dbraw/zinc/74/27/46/394742746.db2.gz XRKYLXCDUJGROT-CHWSQXEVSA-N 0 3 275.371 2.690 20 30 CFEDHN CC[C@@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556086900 394990228 /nfs/dbraw/zinc/99/02/28/394990228.db2.gz OMNNCVVCXCMWCS-NVXWUHKLSA-N 0 3 297.402 2.928 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000556885358 395023051 /nfs/dbraw/zinc/02/30/51/395023051.db2.gz XBDKBLYKJHIPQU-KBPBESRZSA-N 0 3 264.394 2.745 20 30 CFEDHN N#Cc1cccc(OCCCN2CC[C@H](OC(F)F)C2)c1 ZINC000555070435 394964519 /nfs/dbraw/zinc/96/45/19/394964519.db2.gz DCKZHMSGCBHJSG-AWEZNQCLSA-N 0 3 296.317 2.641 20 30 CFEDHN CCN(C(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000558655656 395068872 /nfs/dbraw/zinc/06/88/72/395068872.db2.gz DHNHJKHKPCAEQU-CABCVRRESA-N 0 3 299.418 2.810 20 30 CFEDHN C=C(C)CN[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000179785707 543008250 /nfs/dbraw/zinc/00/82/50/543008250.db2.gz YAMDONUYQLIQFP-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN C=CC[C@H](CO)NCc1cc2cc(Cl)cnc2o1 ZINC000648517476 395181995 /nfs/dbraw/zinc/18/19/95/395181995.db2.gz SBUSCBIGOIQDHX-LLVKDONJSA-N 0 3 266.728 2.508 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1cncnc1OC ZINC000647218496 395234455 /nfs/dbraw/zinc/23/44/55/395234455.db2.gz QHEZVFFYYYZAQE-MRXNPFEDSA-N 0 3 283.375 2.762 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cc(Cl)cnc2o1 ZINC000648745586 395295604 /nfs/dbraw/zinc/29/56/04/395295604.db2.gz BXDIVDOEYNAJMV-OLZOCXBDSA-N 0 3 278.739 2.914 20 30 CFEDHN C=CCN(CC=C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647958431 395465695 /nfs/dbraw/zinc/46/56/95/395465695.db2.gz WFKVANXUASSVFD-HNNXBMFYSA-N 0 3 278.440 2.945 20 30 CFEDHN C=C(C)[C@H](CO)N1CCS[C@@H](c2ccccc2)C1 ZINC000649316937 395471888 /nfs/dbraw/zinc/47/18/88/395471888.db2.gz AYCXVXSZDCHJFD-LSDHHAIUSA-N 0 3 263.406 2.714 20 30 CFEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648021975 395482581 /nfs/dbraw/zinc/48/25/81/395482581.db2.gz UJOZUKVXZOGLPO-UHFFFAOYSA-N 0 3 259.353 2.996 20 30 CFEDHN C=CCCN(C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648028160 395485304 /nfs/dbraw/zinc/48/53/04/395485304.db2.gz VSPZONREFIFQPG-UHFFFAOYSA-N 0 3 259.353 2.996 20 30 CFEDHN C=CCCCCN1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000649639621 395544109 /nfs/dbraw/zinc/54/41/09/395544109.db2.gz NSOAHKDYVRFUFB-UHFFFAOYSA-N 0 3 285.453 2.634 20 30 CFEDHN C=C(C)c1cccc(OCCN2CCC(O)CC2)c1 ZINC000649444395 395498568 /nfs/dbraw/zinc/49/85/68/395498568.db2.gz RWRUUZWLZPXDOT-UHFFFAOYSA-N 0 3 261.365 2.555 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(OC)c(Cl)c1 ZINC000650079575 395606527 /nfs/dbraw/zinc/60/65/27/395606527.db2.gz DKTWQQXIGRVJRP-OLZOCXBDSA-N 0 3 282.771 2.567 20 30 CFEDHN C=CCCN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649750623 395565480 /nfs/dbraw/zinc/56/54/80/395565480.db2.gz SWJODSJAIFJCPN-ROUUACIJSA-N 0 3 286.419 2.538 20 30 CFEDHN C=CCOc1ccc(CNCC2(CO)CCC2)cc1OC ZINC000184362191 543043310 /nfs/dbraw/zinc/04/33/10/543043310.db2.gz ASLAXJWHEDYSFH-UHFFFAOYSA-N 0 3 291.391 2.512 20 30 CFEDHN C=CCN(CCOC)Cc1cccc2cnccc21 ZINC000191762150 543080537 /nfs/dbraw/zinc/08/05/37/543080537.db2.gz QYXZABJOGKVPRR-UHFFFAOYSA-N 0 3 256.349 2.869 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000041515885 397554441 /nfs/dbraw/zinc/55/44/41/397554441.db2.gz FYYJKXYXIUWMMH-LBPRGKRZSA-N 0 3 284.340 2.877 20 30 CFEDHN C[C@@H](NCc1c[nH]c2nccnc12)c1ccc(C#N)cc1 ZINC000356172114 155176897 /nfs/dbraw/zinc/17/68/97/155176897.db2.gz CHPPSFRJGGFBFG-LLVKDONJSA-N 0 3 277.331 2.632 20 30 CFEDHN CC(C)OC[C@H](CO)N(C)CCC1(C#N)CCCCC1 ZINC000411636431 413233876 /nfs/dbraw/zinc/23/38/76/413233876.db2.gz PBAIQDPXTDKEHH-HNNXBMFYSA-N 0 3 282.428 2.568 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)cc2F)C1 ZINC000356357425 155238130 /nfs/dbraw/zinc/23/81/30/155238130.db2.gz FTZANYQIYWHZSK-IUODEOHRSA-N 0 3 276.355 2.680 20 30 CFEDHN C=C(C)[C@@H](NC[C@]1(O)CCCOC1)c1ccc(F)c(F)c1 ZINC000660311695 413238053 /nfs/dbraw/zinc/23/80/53/413238053.db2.gz JEUZVVPDFMYLAF-HZPDHXFCSA-N 0 3 297.345 2.713 20 30 CFEDHN Cc1ccc([C@H]2CCN(C(=O)C(C)C#N)C2)c(C)c1 ZINC000336065218 292270118 /nfs/dbraw/zinc/27/01/18/292270118.db2.gz MNUBPKNJLQQMJO-KGLIPLIRSA-N 0 3 256.349 2.779 20 30 CFEDHN Cc1ccc([C@H]2CCN(C(=O)C(C)C#N)C2)c(C)c1 ZINC000336065217 292269711 /nfs/dbraw/zinc/26/97/11/292269711.db2.gz MNUBPKNJLQQMJO-KBPBESRZSA-N 0 3 256.349 2.779 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)CCN1CCCCC1 ZINC000651010792 413271510 /nfs/dbraw/zinc/27/15/10/413271510.db2.gz CIORRJSEQZKYPL-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NCCN2CCC(C)CC2)C1 ZINC000660397193 413285710 /nfs/dbraw/zinc/28/57/10/413285710.db2.gz XXJAHCFMXSWRBV-MRXNPFEDSA-N 0 3 293.455 2.716 20 30 CFEDHN N#Cc1cc(NCCN2CCC3(CCCCC3)CC2)ccn1 ZINC000343064690 154101652 /nfs/dbraw/zinc/10/16/52/154101652.db2.gz IZPAGUFFUWNGJU-UHFFFAOYSA-N 0 3 298.434 2.833 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000343115762 154119123 /nfs/dbraw/zinc/11/91/23/154119123.db2.gz APGMVEBOBGNCGT-QGZVFWFLSA-N 0 3 266.344 2.724 20 30 CFEDHN CC[C@H](C)N[C@@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000343253119 154155990 /nfs/dbraw/zinc/15/59/90/154155990.db2.gz RJNFHDFEFWJYLJ-JSGCOSHPSA-N 0 3 284.363 2.509 20 30 CFEDHN CC[C@@H](C)N[C@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000343253125 154156455 /nfs/dbraw/zinc/15/64/55/154156455.db2.gz RJNFHDFEFWJYLJ-TZMCWYRMSA-N 0 3 284.363 2.509 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)N1CCCC[C@H]1C ZINC000343281402 154166475 /nfs/dbraw/zinc/16/64/75/154166475.db2.gz CKEONMVQCCWZNJ-CHWSQXEVSA-N 0 3 277.437 2.972 20 30 CFEDHN C[C@@H](O)CCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000354897064 154852346 /nfs/dbraw/zinc/85/23/46/154852346.db2.gz RUXYFAMOFGRNGV-CQSZACIVSA-N 0 3 288.391 2.562 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)CCN1CCCCC1 ZINC000651117656 413308920 /nfs/dbraw/zinc/30/89/20/413308920.db2.gz POXXZMIGUDXIGY-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1cc(C#N)cs1)OC ZINC000362977615 156133772 /nfs/dbraw/zinc/13/37/72/156133772.db2.gz SFNVQZPRDZZRDG-GXFFZTMASA-N 0 3 252.383 2.770 20 30 CFEDHN CC(C)(CNC(=O)c1ccc(C#N)s1)N1CCCCC1 ZINC000362986233 156136623 /nfs/dbraw/zinc/13/66/23/156136623.db2.gz JKBHEVJWDSWQRA-UHFFFAOYSA-N 0 3 291.420 2.614 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3CC[C@H](C4CC4)C3)o2)cc1 ZINC000367031939 156267564 /nfs/dbraw/zinc/26/75/64/156267564.db2.gz XTPXIGHTFILWNC-HNNXBMFYSA-N 0 3 294.358 2.840 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000373823239 157034421 /nfs/dbraw/zinc/03/44/21/157034421.db2.gz BEXZBNAFNZACEK-SFHVURJKSA-N 0 3 293.370 2.744 20 30 CFEDHN C=C(C)CN(C)Cc1cc2ccccc2n(C)c1=O ZINC000653609390 413400875 /nfs/dbraw/zinc/40/08/75/413400875.db2.gz KSQNVFGEDVJBRO-UHFFFAOYSA-N 0 3 256.349 2.546 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCC(C)(C)C2CC2)C1=O ZINC000653657408 413431342 /nfs/dbraw/zinc/43/13/42/413431342.db2.gz WIEYBKMQQZHISV-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN COC[C@H](Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000344703456 162101647 /nfs/dbraw/zinc/10/16/47/162101647.db2.gz 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/nfs/dbraw/zinc/01/83/03/196018303.db2.gz XFLFPKXTOKWPOD-GOEBONIOSA-N 0 3 276.428 2.759 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000007386003 170281695 /nfs/dbraw/zinc/28/16/95/170281695.db2.gz MGWYJTDIXSHIIR-MCIONIFRSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@@H]1CCCCCN1C([O-])=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329919872 287247439 /nfs/dbraw/zinc/24/74/39/287247439.db2.gz RWUHAUAJQIFXIG-KGLIPLIRSA-N 0 3 290.411 2.624 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1 ZINC000020208419 171072339 /nfs/dbraw/zinc/07/23/39/171072339.db2.gz BCRYGHXFPAQQLM-CZUORRHYSA-N 0 3 261.365 2.909 20 30 CFEDHN N#Cc1cccc(OCCN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284879427 196150107 /nfs/dbraw/zinc/15/01/07/196150107.db2.gz SXIZUKVBZBURFU-SJORKVTESA-N 0 3 286.375 2.580 20 30 CFEDHN C=CCCn1cc(CN[C@]2(C)CCCC[C@@H]2C)nn1 ZINC000653757699 413482247 /nfs/dbraw/zinc/48/22/47/413482247.db2.gz ALXCHOXXPHWQDF-DZGCQCFKSA-N 0 3 262.401 2.913 20 30 CFEDHN C=C(C)COCCNCc1cc2ccncc2s1 ZINC000657397348 413553648 /nfs/dbraw/zinc/55/36/48/413553648.db2.gz AFKAOEQXDKOLDR-UHFFFAOYSA-N 0 3 262.378 2.979 20 30 CFEDHN C=CCCn1cc(CNC2(C)CCC(C)CC2)nn1 ZINC000657356382 413492833 /nfs/dbraw/zinc/49/28/33/413492833.db2.gz LUEPYISBWGWGQJ-UHFFFAOYSA-N 0 3 262.401 2.913 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)ccc1OC(F)F ZINC000660721983 413513536 /nfs/dbraw/zinc/51/35/36/413513536.db2.gz CGYPWNRLPQNLGM-NEPJUHHUSA-N 0 3 287.281 2.860 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)C[C@@H](C)CC)nn1 ZINC000657378435 413525150 /nfs/dbraw/zinc/52/51/50/413525150.db2.gz WIAOMNLRAFVKQF-QWHCGFSZSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NCCN(C)CCCC ZINC000664092790 413564227 /nfs/dbraw/zinc/56/42/27/413564227.db2.gz BGEOUXQFVCPJPF-UHFFFAOYSA-N 0 3 269.433 2.762 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000651686092 413571981 /nfs/dbraw/zinc/57/19/81/413571981.db2.gz PYXUMSJVBSZVNP-HUUCEWRRSA-N 0 3 293.432 2.795 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000664216613 413639024 /nfs/dbraw/zinc/63/90/24/413639024.db2.gz IMRLMXQXJKVYCU-QWHCGFSZSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCCC2(C)C)nn1 ZINC000657477288 413659783 /nfs/dbraw/zinc/65/97/83/413659783.db2.gz YZPJNLYVIQQXOO-CYBMUJFWSA-N 0 3 262.401 2.770 20 30 CFEDHN C=C(CC)CNCc1cc(F)c(OC)cc1OC ZINC000651825654 413667291 /nfs/dbraw/zinc/66/72/91/413667291.db2.gz RXTADZKOWXCKSJ-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(COC)cs1 ZINC000657483192 413667620 /nfs/dbraw/zinc/66/76/20/413667620.db2.gz LLKIAUXGKQALKF-KGLIPLIRSA-N 0 3 267.394 2.718 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000660843840 413615901 /nfs/dbraw/zinc/61/59/01/413615901.db2.gz CLHMXYLUSHEPTA-BZUAXINKSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000660844621 413616311 /nfs/dbraw/zinc/61/63/11/413616311.db2.gz RCXGJFHXSMOIAF-IJEWVQPXSA-N 0 3 291.439 2.657 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000660855126 413618688 /nfs/dbraw/zinc/61/86/88/413618688.db2.gz JZUJCRATDSEBAA-FMKPAKJESA-N 0 3 293.455 2.903 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc[nH]c2C(C)C)CC1 ZINC000285438022 196284959 /nfs/dbraw/zinc/28/49/59/196284959.db2.gz RPJNZBNTGHKUTH-UHFFFAOYSA-N 0 3 289.423 2.908 20 30 CFEDHN C=CCCn1cc(CNC2CCC(C(F)F)CC2)nn1 ZINC000657492139 413682913 /nfs/dbraw/zinc/68/29/13/413682913.db2.gz RZNIANOCRIDJKU-UHFFFAOYSA-N 0 3 284.354 2.768 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](CC)CC2)nn1 ZINC000657496397 413684709 /nfs/dbraw/zinc/68/47/09/413684709.db2.gz SHBYWMLOYOXMAT-UONOGXRCSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](CC)CC2)nn1 ZINC000657496395 413685387 /nfs/dbraw/zinc/68/53/87/413685387.db2.gz SHBYWMLOYOXMAT-KGLIPLIRSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCc1cc(CN[C@H]2COC(C)(C)C2)cc(OC)c1O ZINC000657531821 413714106 /nfs/dbraw/zinc/71/41/06/413714106.db2.gz ZHTPHTPKSHOHKJ-CQSZACIVSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000661048647 413721759 /nfs/dbraw/zinc/72/17/59/413721759.db2.gz NWRATRFFSDAGPV-HUUCEWRRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC12CC2 ZINC001085343830 782020744 /nfs/dbraw/zinc/02/07/44/782020744.db2.gz HSKXSXLCCJYNBE-JHJVBQTASA-N 0 3 282.815 2.556 20 30 CFEDHN COC[C@@H](C)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285477095 196297499 /nfs/dbraw/zinc/29/74/99/196297499.db2.gz LDJZFYOQVGJWEX-GFCCVEGCSA-N 0 3 292.354 2.575 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(OC)no1 ZINC000661116539 413765717 /nfs/dbraw/zinc/76/57/17/413765717.db2.gz YURCKSLVHOBYNM-AAEUAGOBSA-N 0 3 250.342 2.908 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1ncnn1CCC ZINC000661113800 413766075 /nfs/dbraw/zinc/76/60/75/413766075.db2.gz ARPXWAYOAVJYDT-UONOGXRCSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCNCc1cn2ccc(Br)cc2n1 ZINC000657584034 413770562 /nfs/dbraw/zinc/77/05/62/413770562.db2.gz VWYADGXSHPLJFW-UHFFFAOYSA-N 0 3 280.169 2.763 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000657703063 413869613 /nfs/dbraw/zinc/86/96/13/413869613.db2.gz LDDZPYPOUAWRPP-JKSUJKDBSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOCCCNCc1ccnn1-c1ccccc1C ZINC000657659247 413826465 /nfs/dbraw/zinc/82/64/65/413826465.db2.gz UFVDRJYEFZCPQA-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCN(Cc1ccc2c[nH]nc2c1)[C@@H](C)COC ZINC000661238440 413836567 /nfs/dbraw/zinc/83/65/67/413836567.db2.gz CISIVDQTMMZSCN-LBPRGKRZSA-N 0 3 259.353 2.586 20 30 CFEDHN C=CCN(CCc1nc2ccccc2n1C)[C@@H](C)COC ZINC000661242564 413846476 /nfs/dbraw/zinc/84/64/76/413846476.db2.gz QKJWKYFCDYHSIC-AWEZNQCLSA-N 0 3 287.407 2.639 20 30 CFEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1)[C@H](C)COC ZINC000661243457 413847707 /nfs/dbraw/zinc/84/77/07/413847707.db2.gz KPLSTRNHGMJGJC-OAHLLOKOSA-N 0 3 285.391 2.895 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2)C1 ZINC000661378350 413937257 /nfs/dbraw/zinc/93/72/57/413937257.db2.gz DHMQVAAUJDUWQZ-RDJZCZTQSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CC[C@H]1CCCN([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000661383824 413942632 /nfs/dbraw/zinc/94/26/32/413942632.db2.gz FLAKHZCCLHUDEV-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 ZINC000661381774 413942814 /nfs/dbraw/zinc/94/28/14/413942814.db2.gz PJQXOPAFILFCIT-DZGCQCFKSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(OC)ns2)C1 ZINC000661387228 413944041 /nfs/dbraw/zinc/94/40/41/413944041.db2.gz XJEPCWHFYYQNSJ-LLVKDONJSA-N 0 3 252.383 2.940 20 30 CFEDHN C=CC[C@H]1CCCN(CCc2nc(C(C)=O)c(C)[nH]2)C1 ZINC000661379947 413944131 /nfs/dbraw/zinc/94/41/31/413944131.db2.gz CNTQTPLZSONYBX-AWEZNQCLSA-N 0 3 275.396 2.751 20 30 CFEDHN C=CC[C@H]1CCCN(CCc2nc(C)c(C(C)=O)[nH]2)C1 ZINC000661379947 413944146 /nfs/dbraw/zinc/94/41/46/413944146.db2.gz CNTQTPLZSONYBX-AWEZNQCLSA-N 0 3 275.396 2.751 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C1 ZINC000661384441 413945215 /nfs/dbraw/zinc/94/52/15/413945215.db2.gz IZBHQOQMUOUZBG-KLHDSHLOSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000661384440 413945615 /nfs/dbraw/zinc/94/56/15/413945615.db2.gz IZBHQOQMUOUZBG-FXUDXRNXSA-N 0 3 276.424 2.722 20 30 CFEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccccc1C ZINC000285585563 196334916 /nfs/dbraw/zinc/33/49/16/196334916.db2.gz BGIAQBDVPRURNI-UHFFFAOYSA-N 0 3 258.365 2.667 20 30 CFEDHN C=CCCNC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000664875223 413987683 /nfs/dbraw/zinc/98/76/83/413987683.db2.gz XVEDLQOCYGHBLW-CHWSQXEVSA-N 0 3 279.384 2.584 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000661527615 414035238 /nfs/dbraw/zinc/03/52/38/414035238.db2.gz RYQHYLHWTUTTEK-HDMKZQKVSA-N 0 3 298.430 2.894 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc2cnccc2o1 ZINC000657935947 414064010 /nfs/dbraw/zinc/06/40/10/414064010.db2.gz CCKWDNRILQVODR-VXGBXAGGSA-N 0 3 260.337 2.663 20 30 CFEDHN C[C@]12COC[C@@H]1CN(CC#Cc1cccc(Cl)c1)C2 ZINC000661698465 414145562 /nfs/dbraw/zinc/14/55/62/414145562.db2.gz GWCGKYFRVSEZCG-HOCLYGCPSA-N 0 3 275.779 2.660 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000658030961 414115142 /nfs/dbraw/zinc/11/51/42/414115142.db2.gz AKYRFYZVZLTHDH-JQWIXIFHSA-N 0 3 270.323 2.997 20 30 CFEDHN C=CCC1(C(=O)N(C)CCN2CCCCC2)CCC1 ZINC000652991653 414167550 /nfs/dbraw/zinc/16/75/50/414167550.db2.gz KZEHRPQSUBLPCF-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCN(CC(=O)N1CCc2sccc2C1)C(C)(C)C ZINC000661754807 414193985 /nfs/dbraw/zinc/19/39/85/414193985.db2.gz BTARLSRKAREZCK-UHFFFAOYSA-N 0 3 292.448 2.919 20 30 CFEDHN C=C(C)[C@H](CO)N(CCC)Cc1ccccc1F ZINC000661859924 414267323 /nfs/dbraw/zinc/26/73/23/414267323.db2.gz LJJOGCVOWDXWJR-HNNXBMFYSA-N 0 3 251.345 2.975 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCN1CCCC1 ZINC000665393262 414323601 /nfs/dbraw/zinc/32/36/01/414323601.db2.gz RFYMQFGYCWGOHG-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)NC1(CC(C)C)CC1 ZINC000662071549 414395255 /nfs/dbraw/zinc/39/52/55/414395255.db2.gz VSICUGWTQGBUAF-AWEZNQCLSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H](CO)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655759765 414414598 /nfs/dbraw/zinc/41/45/98/414414598.db2.gz GSVFTIBKIAORKI-INIZCTEOSA-N 0 3 285.391 2.516 20 30 CFEDHN C=C[C@H](CO)NCCOc1c(Cl)cccc1Cl ZINC000662163821 414436949 /nfs/dbraw/zinc/43/69/49/414436949.db2.gz MKTCXDWDPRBCPF-SECBINFHSA-N 0 3 276.163 2.509 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655791927 414438485 /nfs/dbraw/zinc/43/84/85/414438485.db2.gz HJXRUPZTDJOMJI-KRWDZBQOSA-N 0 3 299.418 2.906 20 30 CFEDHN CC#CCN1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662215587 414461357 /nfs/dbraw/zinc/46/13/57/414461357.db2.gz NSQCVQCXXQLMQU-UHFFFAOYSA-N 0 3 253.345 2.950 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000662077372 414398417 /nfs/dbraw/zinc/39/84/17/414398417.db2.gz CFZHCRBHWXZXKJ-YHUYYLMFSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCC[C@@H]1CC ZINC000662078415 414398698 /nfs/dbraw/zinc/39/86/98/414398698.db2.gz BRKBFYDFHDLHHL-HRCADAONSA-N 0 3 276.424 2.961 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NC1CCCC1 ZINC000662082337 414400147 /nfs/dbraw/zinc/40/01/47/414400147.db2.gz TZHXHFBPMPACPE-AEGPPILISA-N 0 3 262.397 2.617 20 30 CFEDHN C=C(C)[C@H](CO)N(CCC)Cc1ccc(F)cc1 ZINC000662598557 414570585 /nfs/dbraw/zinc/57/05/85/414570585.db2.gz IFPNRHMJYUUIGY-HNNXBMFYSA-N 0 3 251.345 2.975 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)n1cc(CCN(C)C)nn1 ZINC000656457110 414580973 /nfs/dbraw/zinc/58/09/73/414580973.db2.gz GAIJJRKTILOMKN-KRWDZBQOSA-N 0 3 284.407 2.742 20 30 CFEDHN C=CCC1(NC(=O)[C@@H]2CNCc3ccccc32)CCCC1 ZINC000662889490 414630065 /nfs/dbraw/zinc/63/00/65/414630065.db2.gz XABNOCVFBJXGGL-MRXNPFEDSA-N 0 3 284.403 2.879 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@@H](C)CN2CCCCC2)n1 ZINC000044388136 175170099 /nfs/dbraw/zinc/17/00/99/175170099.db2.gz RUXIMNHXXHQLAG-AWEZNQCLSA-N 0 3 272.396 2.856 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000044825669 175259347 /nfs/dbraw/zinc/25/93/47/175259347.db2.gz IMWSFZXQCKZZHS-IUCAKERBSA-N 0 3 281.153 2.786 20 30 CFEDHN Cn1ccc(CNCc2cccc(OCCCC#N)c2)c1 ZINC000344608558 225118753 /nfs/dbraw/zinc/11/87/53/225118753.db2.gz YZBMUSJXOLRAED-UHFFFAOYSA-N 0 3 283.375 2.997 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000334739418 225296987 /nfs/dbraw/zinc/29/69/87/225296987.db2.gz TXEODHLMHSUDEB-BXUZGUMPSA-N 0 3 257.312 2.869 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000347034428 226021877 /nfs/dbraw/zinc/02/18/77/226021877.db2.gz JFXBTCFTLJUTQG-VHSXEESVSA-N 0 3 295.180 2.656 20 30 CFEDHN N#CCCCN1CCC(Cc2ccccc2CO)CC1 ZINC000347635941 226207566 /nfs/dbraw/zinc/20/75/66/226207566.db2.gz GLHKSOJSEBXLAC-UHFFFAOYSA-N 0 3 272.392 2.737 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000354539674 227027442 /nfs/dbraw/zinc/02/74/42/227027442.db2.gz HFCFQMUIRWTZBZ-HUUCEWRRSA-N 0 3 287.407 2.715 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(F)cc2F)CCC1 ZINC000336587100 227140391 /nfs/dbraw/zinc/14/03/91/227140391.db2.gz KPTVIYSCMGUCAP-SECBINFHSA-N 0 3 264.275 2.620 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000336619374 227185825 /nfs/dbraw/zinc/18/58/25/227185825.db2.gz PMSVNMMFVTVOGA-VIFPVBQESA-N 0 3 250.729 2.851 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000336621464 227213518 /nfs/dbraw/zinc/21/35/18/227213518.db2.gz RZHAAVDBGUYUSP-VHSXEESVSA-N 0 3 273.361 2.975 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000355018047 227316605 /nfs/dbraw/zinc/31/66/05/227316605.db2.gz CQKJHSSZKYXKHL-MXWKQRLJSA-N 0 3 260.312 2.820 20 30 CFEDHN O=C(NCCC1(O)CCC1)[C@@H]1CCCN1C1CCCC1 ZINC000329151256 227329987 /nfs/dbraw/zinc/32/99/87/227329987.db2.gz SHPXPIZVWPYULC-AWEZNQCLSA-N 0 3 280.412 2.655 20 30 CFEDHN C[C@H]1CCN(C)CCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356090079 228116656 /nfs/dbraw/zinc/11/66/56/228116656.db2.gz GXIMCXTUQJLKLG-DOTOQJQBSA-N 0 3 299.418 2.627 20 30 CFEDHN C[S@](=O)Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000353814361 228155622 /nfs/dbraw/zinc/15/56/22/228155622.db2.gz ZTCWJKCHHXRATG-GUXCAODWSA-N 0 3 290.432 2.737 20 30 CFEDHN CC(C#N)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000335991413 228175344 /nfs/dbraw/zinc/17/53/44/228175344.db2.gz ZGOHFKFGDDSPES-LRVUVFPRSA-N 0 3 256.349 2.989 20 30 CFEDHN C#C[C@H](NC[C@@H](O)c1cccc(Br)c1)C(C)C ZINC000305900730 260104649 /nfs/dbraw/zinc/10/46/49/260104649.db2.gz BFHMKYIQIHMNKQ-UONOGXRCSA-N 0 3 296.208 2.730 20 30 CFEDHN CCCCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001154831995 782030766 /nfs/dbraw/zinc/03/07/66/782030766.db2.gz PURAZBINWDTBON-LLVKDONJSA-N 0 3 290.367 2.637 20 30 CFEDHN C=CC[C@@H](C)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000116931919 260006867 /nfs/dbraw/zinc/00/68/67/260006867.db2.gz QCAZWSDGDSOESK-GFCCVEGCSA-N 0 3 261.369 2.834 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000185940809 260021680 /nfs/dbraw/zinc/02/16/80/260021680.db2.gz KXHPCUHNVVJLMN-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000187360201 260033347 /nfs/dbraw/zinc/03/33/47/260033347.db2.gz OOECWHAQOFQPSH-QGZVFWFLSA-N 0 3 298.386 2.784 20 30 CFEDHN C[C@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000525486772 260197140 /nfs/dbraw/zinc/19/71/40/260197140.db2.gz HHPKNBQXUIDZLI-HNNXBMFYSA-N 0 3 280.371 2.941 20 30 CFEDHN CO[C@H]1CCC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000086037897 260206534 /nfs/dbraw/zinc/20/65/34/260206534.db2.gz KPIVBHWLMPTALH-GMRIPVOYSA-N 0 3 270.376 2.767 20 30 CFEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCCC[C@H]2O)C1 ZINC000086037965 260206590 /nfs/dbraw/zinc/20/65/90/260206590.db2.gz LYHDWYHSNWIQIZ-JCCCHCCOSA-N 0 3 270.376 2.503 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000313494519 260298241 /nfs/dbraw/zinc/29/82/41/260298241.db2.gz TVBPHRSKTKOIDO-GFCCVEGCSA-N 0 3 267.394 2.707 20 30 CFEDHN C=CCN1CC[C@H](N(CCC)Cc2ccc(C)cc2)C1=O ZINC000518272543 260365668 /nfs/dbraw/zinc/36/56/68/260365668.db2.gz JRBLNGFXKVOPAP-KRWDZBQOSA-N 0 3 286.419 2.994 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1 ZINC000128243315 260373291 /nfs/dbraw/zinc/37/32/91/260373291.db2.gz DWJWVKLHGYRIFL-HUUCEWRRSA-N 0 3 261.365 2.500 20 30 CFEDHN C=C(Br)CN[C@H]1CCCC[C@@H]1n1cccn1 ZINC000129112109 260383161 /nfs/dbraw/zinc/38/31/61/260383161.db2.gz HVRDUVKPGZELGF-RYUDHWBXSA-N 0 3 284.201 2.865 20 30 CFEDHN C=C(Br)CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000129111928 260383384 /nfs/dbraw/zinc/38/33/84/260383384.db2.gz HVRDUVKPGZELGF-NEPJUHHUSA-N 0 3 284.201 2.865 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)nc1 ZINC000518393654 260397407 /nfs/dbraw/zinc/39/74/07/260397407.db2.gz ICKGLYMOUVAAMX-CHWSQXEVSA-N 0 3 281.306 2.593 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000448924289 260777738 /nfs/dbraw/zinc/77/77/38/260777738.db2.gz XYQWRXRWBJJLFX-IEBWSBKVSA-N 0 3 298.430 2.731 20 30 CFEDHN CC[C@H](C(=O)N(CCC#N)CC(C)(C)C)N(CC)CC ZINC000359790026 260928509 /nfs/dbraw/zinc/92/85/09/260928509.db2.gz HREMJTKHTHVYOL-CQSZACIVSA-N 0 3 281.444 2.895 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccnc2)n1 ZINC000155766352 261107554 /nfs/dbraw/zinc/10/75/54/261107554.db2.gz DAHSLRPEJPOQNP-LLVKDONJSA-N 0 3 286.360 2.907 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCCOC1 ZINC000490831031 261220145 /nfs/dbraw/zinc/22/01/45/261220145.db2.gz PXAMTFDGWDVKEF-OAHLLOKOSA-N 0 3 261.340 2.688 20 30 CFEDHN C#CCN[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000490916404 261246942 /nfs/dbraw/zinc/24/69/42/261246942.db2.gz SCCASELLZPCLMS-CQSZACIVSA-N 0 3 266.344 2.944 20 30 CFEDHN C=CCOc1ccccc1CNCCN(CC)C1CC1 ZINC000101932263 261253239 /nfs/dbraw/zinc/25/32/39/261253239.db2.gz VYSWBDHYOHCLBW-UHFFFAOYSA-N 0 3 274.408 2.825 20 30 CFEDHN C#CCN(Cc1cn(-c2ccncc2)nc1C)C1CCCC1 ZINC000490933900 261253268 /nfs/dbraw/zinc/25/32/68/261253268.db2.gz GTMFYRQJLOOAGQ-UHFFFAOYSA-N 0 3 294.402 2.954 20 30 CFEDHN C#CCN1CCC(C(=O)NCc2cccc(C(C)C)c2)CC1 ZINC000491043811 261307360 /nfs/dbraw/zinc/30/73/60/261307360.db2.gz DWCOIAXKZVFNGN-UHFFFAOYSA-N 0 3 298.430 2.771 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)Cc2ccccc2)cc1 ZINC000105493594 261310547 /nfs/dbraw/zinc/31/05/47/261310547.db2.gz XLPYHCXYFYVIID-SFHVURJKSA-N 0 3 297.398 2.945 20 30 CFEDHN Cc1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000182321553 261933778 /nfs/dbraw/zinc/93/37/78/261933778.db2.gz BQXXWCJEZFKOQJ-YOEHRIQHSA-N 0 3 287.407 2.700 20 30 CFEDHN CCc1ccc([C@@H](COC)NCCCSCC#N)o1 ZINC000184779419 262029327 /nfs/dbraw/zinc/02/93/27/262029327.db2.gz RKZSUDWKVMYRDI-CYBMUJFWSA-N 0 3 282.409 2.766 20 30 CFEDHN C[C@H]1CN(CCCC(C)(C)C#N)CC2(CCOCC2)O1 ZINC000363931695 262039443 /nfs/dbraw/zinc/03/94/43/262039443.db2.gz DKANXWIVTCNDQK-AWEZNQCLSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(C)(C#N)CCCN[C@@H](CCO)c1ccco1 ZINC000185082862 262040264 /nfs/dbraw/zinc/04/02/64/262040264.db2.gz LUEVZWFMEGYSDQ-LBPRGKRZSA-N 0 3 250.342 2.623 20 30 CFEDHN Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000185712295 262067886 /nfs/dbraw/zinc/06/78/86/262067886.db2.gz MUOPLSPKCHWHPX-GOEBONIOSA-N 0 3 295.390 2.748 20 30 CFEDHN COc1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1OC ZINC000185787420 262070647 /nfs/dbraw/zinc/07/06/47/262070647.db2.gz WRXWSHHSBKVUBJ-TZMCWYRMSA-N 0 3 274.364 2.876 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000185783650 262070665 /nfs/dbraw/zinc/07/06/65/262070665.db2.gz IROIOFXBSOUVDV-AAEUAGOBSA-N 0 3 259.309 2.767 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000118849904 262121251 /nfs/dbraw/zinc/12/12/51/262121251.db2.gz WIKRTWXAXNETCM-AESZEHBQSA-N 0 3 291.439 2.694 20 30 CFEDHN CC[C@H](CC#N)NC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497276097 262131389 /nfs/dbraw/zinc/13/13/89/262131389.db2.gz MTDWFIUTAZXKDT-ZENOOKHLSA-N 0 3 293.411 2.525 20 30 CFEDHN CC(=O)Nc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192628725 262206426 /nfs/dbraw/zinc/20/64/26/262206426.db2.gz VLJSUYDOALAVHU-GDBMZVCRSA-N 0 3 271.364 2.817 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000192761913 262210775 /nfs/dbraw/zinc/21/07/75/262210775.db2.gz SVRSQPQXGHQSSC-HOCLYGCPSA-N 0 3 297.402 2.638 20 30 CFEDHN C=CCCCCN(CCN(C)C)Cc1ccccn1 ZINC000518791107 262211893 /nfs/dbraw/zinc/21/18/93/262211893.db2.gz WZILTBYRUAUZRR-UHFFFAOYSA-N 0 3 261.413 2.802 20 30 CFEDHN CC[C@@H](C)[C@@H](C)N(CC(=O)N(CC)CCC#N)C1CC1 ZINC000111226850 262257969 /nfs/dbraw/zinc/25/79/69/262257969.db2.gz YGNPAWDWKAOKEB-ZIAGYGMSSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CC1CCN(CC(=O)N(CC(C)C)C(C)C)CC1 ZINC000111258007 262258070 /nfs/dbraw/zinc/25/80/70/262258070.db2.gz RPOUDOKTOWNBGE-UHFFFAOYSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000111257167 262258199 /nfs/dbraw/zinc/25/81/99/262258199.db2.gz CXLPRDKCQVFGCT-HNNXBMFYSA-N 0 3 286.419 2.898 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000111259568 262264494 /nfs/dbraw/zinc/26/44/94/262264494.db2.gz YYEUSVNDNVWPRY-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000364899789 262264783 /nfs/dbraw/zinc/26/47/83/262264783.db2.gz YMCXRXPFINDGMT-UHFFFAOYSA-N 0 3 279.428 2.613 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(Br)c(F)c1 ZINC000184278374 262276043 /nfs/dbraw/zinc/27/60/43/262276043.db2.gz QYSUWGOPQKAMJU-SNVBAGLBSA-N 0 3 288.160 2.615 20 30 CFEDHN C=C(C)CN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353140165 262276145 /nfs/dbraw/zinc/27/61/45/262276145.db2.gz AHDTZKRZIMQQOW-HNNXBMFYSA-N 0 3 265.328 2.770 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1cc2ccccc2s1 ZINC000184357855 262282524 /nfs/dbraw/zinc/28/25/24/262282524.db2.gz QHQIHNXUCRJXJE-NSHDSACASA-N 0 3 274.389 2.854 20 30 CFEDHN C#CCSCCN[C@@H](C)c1sccc1OC ZINC000186216723 262312073 /nfs/dbraw/zinc/31/20/73/262312073.db2.gz YEVOLCAJZOWMPY-JTQLQIEISA-N 0 3 255.408 2.774 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000311758050 262340535 /nfs/dbraw/zinc/34/05/35/262340535.db2.gz UQLDZWZFYVTDBD-GFCCVEGCSA-N 0 3 265.353 2.557 20 30 CFEDHN C=CCCCN1CCN(Cc2ccccc2OC)CC1 ZINC000117878572 262358810 /nfs/dbraw/zinc/35/88/10/262358810.db2.gz CTNHPLSHLQMJAD-UHFFFAOYSA-N 0 3 274.408 2.779 20 30 CFEDHN CO[C@@H]1CC[C@H]2OCCN(CCCCC(C)(C)C#N)[C@H]2C1 ZINC000365631303 262376794 /nfs/dbraw/zinc/37/67/94/262376794.db2.gz WLLSMOKMQLQWPY-OWCLPIDISA-N 0 3 294.439 2.975 20 30 CFEDHN C=CCN1CC[C@H](NC2(c3ccccc3)CCCC2)C1=O ZINC000337192774 262431261 /nfs/dbraw/zinc/43/12/61/262431261.db2.gz UXNFEFZMXRIODZ-INIZCTEOSA-N 0 3 284.403 2.832 20 30 CFEDHN C[C@H](CCC#N)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000411552726 262699058 /nfs/dbraw/zinc/69/90/58/262699058.db2.gz HIMWDINQBNRXMI-CQSZACIVSA-N 0 3 290.382 2.887 20 30 CFEDHN Cc1cccnc1OC1CCN([C@H](C)CCC#N)CC1 ZINC000411637156 262701889 /nfs/dbraw/zinc/70/18/89/262701889.db2.gz FNSDTFNLNPCQQQ-CQSZACIVSA-N 0 3 273.380 2.926 20 30 CFEDHN Cc1ccc([C@H](O)CN2CCC(C)(C#N)CC2)cc1 ZINC000272513909 263005593 /nfs/dbraw/zinc/00/55/93/263005593.db2.gz GOCHWMWTKBBBIV-OAHLLOKOSA-N 0 3 258.365 2.654 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000272592698 263007254 /nfs/dbraw/zinc/00/72/54/263007254.db2.gz PSFODGWHQYGBSI-UHFFFAOYSA-N 0 3 289.354 2.780 20 30 CFEDHN Cc1nn(-c2ccccc2)c(C)c1CNCCCC#N ZINC000272615884 263007708 /nfs/dbraw/zinc/00/77/08/263007708.db2.gz APTPGZKVQBQMOX-UHFFFAOYSA-N 0 3 268.364 2.883 20 30 CFEDHN COCc1cc([C@H](C)NCCCC#N)ccc1OC ZINC000273282982 263014853 /nfs/dbraw/zinc/01/48/53/263014853.db2.gz QVUQMTFZXRJIOO-LBPRGKRZSA-N 0 3 262.353 2.796 20 30 CFEDHN CCn1nc(CNCCCCC#N)c2ccccc21 ZINC000274451964 263024328 /nfs/dbraw/zinc/02/43/28/263024328.db2.gz RBQDHSWRPXDHBF-UHFFFAOYSA-N 0 3 256.353 2.840 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274656338 263028873 /nfs/dbraw/zinc/02/88/73/263028873.db2.gz UMBCMGAZFPEOKJ-OUCADQQQSA-N 0 3 272.348 2.801 20 30 CFEDHN Cc1ccc([C@@H](CCn2cncn2)NCCCC#N)cc1 ZINC000275639312 263033767 /nfs/dbraw/zinc/03/37/67/263033767.db2.gz CEAPIECVGFWYOD-MRXNPFEDSA-N 0 3 283.379 2.611 20 30 CFEDHN CN(C)c1cccc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000278160535 263045549 /nfs/dbraw/zinc/04/55/49/263045549.db2.gz AXHRHSAXVLDLAY-HIFRSBDPSA-N 0 3 257.381 2.925 20 30 CFEDHN CN(C)c1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000278160531 263045660 /nfs/dbraw/zinc/04/56/60/263045660.db2.gz AXHRHSAXVLDLAY-DZGCQCFKSA-N 0 3 257.381 2.925 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000278325861 263046829 /nfs/dbraw/zinc/04/68/29/263046829.db2.gz GPUMFTWDWFHDGF-MXASKKJJSA-N 0 3 285.391 2.974 20 30 CFEDHN CN(C)c1cccc(CN(C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000278521719 263048703 /nfs/dbraw/zinc/04/87/03/263048703.db2.gz CPIHGNZWICVJNZ-XJKSGUPXSA-N 0 3 257.381 2.877 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)CC(C)(C)C#N ZINC000279304382 263054559 /nfs/dbraw/zinc/05/45/59/263054559.db2.gz QQTWMEBJBVTFRG-UHFFFAOYSA-N 0 3 273.380 2.935 20 30 CFEDHN C[C@@H]1CCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279312159 263054691 /nfs/dbraw/zinc/05/46/91/263054691.db2.gz NGNRZIBVZGPPJD-UHOFOFEASA-N 0 3 281.359 2.545 20 30 CFEDHN CC1(C)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280822162 263064678 /nfs/dbraw/zinc/06/46/78/263064678.db2.gz HWVBKCXQDHIXCC-MRXNPFEDSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(CC#N)cc1)N1CCCC[C@@H]1C ZINC000340066740 263065621 /nfs/dbraw/zinc/06/56/21/263065621.db2.gz INVLMDZFNGGNKY-LSDHHAIUSA-N 0 3 299.418 2.745 20 30 CFEDHN Cc1ncc(CN(C)CCCC2(C#N)CCOCC2)s1 ZINC000281994569 263073501 /nfs/dbraw/zinc/07/35/01/263073501.db2.gz NBJBFDILUBAXOE-UHFFFAOYSA-N 0 3 293.436 2.984 20 30 CFEDHN Cn1ccnc1[C@@H](NCC1CCC(C#N)CC1)C1CC1 ZINC000282260441 263075346 /nfs/dbraw/zinc/07/53/46/263075346.db2.gz JXONKQQCYOZXGF-PIMMBPRGSA-N 0 3 272.396 2.791 20 30 CFEDHN CN1CCN([C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000284323178 263086459 /nfs/dbraw/zinc/08/64/59/263086459.db2.gz PVCZPLPFQQJVIW-ZFWWWQNUSA-N 0 3 255.365 2.631 20 30 CFEDHN CC[C@](C)(C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000285440608 263092965 /nfs/dbraw/zinc/09/29/65/263092965.db2.gz PLMGXFZXRMNDDA-MRXNPFEDSA-N 0 3 284.363 2.989 20 30 CFEDHN CN(CCCN(C)Cc1ccco1)CCC(C)(C)C#N ZINC000285507389 263093929 /nfs/dbraw/zinc/09/39/29/263093929.db2.gz DBKKXGTZCVCKMV-UHFFFAOYSA-N 0 3 277.412 2.973 20 30 CFEDHN CO[C@@H](C)CN(C)Cc1ccccc1C(C)(C)C#N ZINC000285740333 263095401 /nfs/dbraw/zinc/09/54/01/263095401.db2.gz QJFAHSPIBBFGFP-ZDUSSCGKSA-N 0 3 260.381 2.954 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(F)c[nH]1)C(C)C ZINC000340302076 263107148 /nfs/dbraw/zinc/10/71/48/263107148.db2.gz NWHCBGOISWIIIT-OAHLLOKOSA-N 0 3 293.386 2.582 20 30 CFEDHN CO[C@H](C)CN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000289199563 263108137 /nfs/dbraw/zinc/10/81/37/263108137.db2.gz BIEQDQOHQJVCJO-CQSZACIVSA-N 0 3 275.396 2.503 20 30 CFEDHN COc1ccc(CNCC(C)(C)CCC#N)c(OC)n1 ZINC000289496461 263110650 /nfs/dbraw/zinc/11/06/50/263110650.db2.gz GSQALVKTLBXDLZ-UHFFFAOYSA-N 0 3 277.368 2.518 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000292689234 263133750 /nfs/dbraw/zinc/13/37/50/263133750.db2.gz CJWRUFUJGUYCNO-UONOGXRCSA-N 0 3 294.420 2.566 20 30 CFEDHN CC[C@@H]1c2ccsc2CCN1CCOCCC#N ZINC000292689141 263133887 /nfs/dbraw/zinc/13/38/87/263133887.db2.gz AJMUMKYIIWVFOW-CYBMUJFWSA-N 0 3 264.394 2.988 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293101146 263137940 /nfs/dbraw/zinc/13/79/40/263137940.db2.gz NVJCALIHFFYURT-WBVHZDCISA-N 0 3 299.418 2.903 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293101136 263138004 /nfs/dbraw/zinc/13/80/04/263138004.db2.gz NVJCALIHFFYURT-DOTOQJQBSA-N 0 3 299.418 2.903 20 30 CFEDHN CC[C@@H](NCCOCCC#N)c1ccc(OC)c(OC)c1 ZINC000293584689 263143582 /nfs/dbraw/zinc/14/35/82/263143582.db2.gz NWXAANBJOBFMQW-CQSZACIVSA-N 0 3 292.379 2.675 20 30 CFEDHN Cc1cc([C@@H](NC(=O)C(C)C#N)C2CC2)ccc1F ZINC000340434009 263145082 /nfs/dbraw/zinc/14/50/82/263145082.db2.gz KXBHKXNJHILPAA-HZMBPMFUSA-N 0 3 260.312 2.861 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ncccc3F)CC2)C1 ZINC000293683930 263146656 /nfs/dbraw/zinc/14/66/56/263146656.db2.gz ATEAJTBCJINDHH-QWHCGFSZSA-N 0 3 289.354 2.756 20 30 CFEDHN CN1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1Cc1ccccc1 ZINC000293685353 263147034 /nfs/dbraw/zinc/14/70/34/263147034.db2.gz AWRYJGRDBYGCNZ-KZNAEPCWSA-N 0 3 283.419 2.537 20 30 CFEDHN COc1ccc([C@H](C)NCCOCCC#N)c(C)c1OC ZINC000293713737 263147694 /nfs/dbraw/zinc/14/76/94/263147694.db2.gz XYAJELDCCZAPHS-ZDUSSCGKSA-N 0 3 292.379 2.593 20 30 CFEDHN Cc1cc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)n[nH]1 ZINC000293805468 263150297 /nfs/dbraw/zinc/15/02/97/263150297.db2.gz NTZXUPMADVMCIL-GXTWGEPZSA-N 0 3 258.369 2.590 20 30 CFEDHN Cc1cc(C2CCN([C@@H]3CC[C@H](C#N)C3)CC2)[nH]n1 ZINC000293805468 263150298 /nfs/dbraw/zinc/15/02/98/263150298.db2.gz NTZXUPMADVMCIL-GXTWGEPZSA-N 0 3 258.369 2.590 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](C)c2ccncc2F)CC1 ZINC000340473940 263165152 /nfs/dbraw/zinc/16/51/52/263165152.db2.gz IFSJTADXUQELBY-ZDUSSCGKSA-N 0 3 277.387 2.912 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)CC1(C)C ZINC000295978856 263184068 /nfs/dbraw/zinc/18/40/68/263184068.db2.gz KXWAMKYOZUPTTN-MRXNPFEDSA-N 0 3 288.391 2.836 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000297992630 263213565 /nfs/dbraw/zinc/21/35/65/263213565.db2.gz AOBLSPHBNODUSD-AEFFLSMTSA-N 0 3 286.419 2.996 20 30 CFEDHN CC1(C#N)CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000298599591 263222378 /nfs/dbraw/zinc/22/23/78/263222378.db2.gz YZXBNPGLDBPURN-KRWDZBQOSA-N 0 3 283.419 2.887 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000299164870 263232899 /nfs/dbraw/zinc/23/28/99/263232899.db2.gz XSPOBYFYYCTUNY-FTLABTOESA-N 0 3 264.394 2.767 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000299164557 263232953 /nfs/dbraw/zinc/23/29/53/263232953.db2.gz XRUACIVQZQZYAQ-VXGBXAGGSA-N 0 3 271.364 2.548 20 30 CFEDHN CCOC(=O)CC/[NH+]=C/c1ccc(N(CC)CC)cc1[O-] ZINC000299250617 263236078 /nfs/dbraw/zinc/23/60/78/263236078.db2.gz BWIZXPZYPFCPHZ-SFQUDFHCSA-N 0 3 292.379 2.611 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000299341056 263240651 /nfs/dbraw/zinc/24/06/51/263240651.db2.gz QIDXFVCCQJVTPY-ZIAGYGMSSA-N 0 3 283.379 2.601 20 30 CFEDHN N#CCCCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000299683322 263252195 /nfs/dbraw/zinc/25/21/95/263252195.db2.gz YCKBUZLAWFUYKN-UHFFFAOYSA-N 0 3 296.374 2.513 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1sccc1C ZINC000121036426 263289831 /nfs/dbraw/zinc/28/98/31/263289831.db2.gz BIXRULOHOMQPKY-UHFFFAOYSA-N 0 3 266.410 2.571 20 30 CFEDHN C=CCN(C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000121387478 263295229 /nfs/dbraw/zinc/29/52/29/263295229.db2.gz CXSFCHKOZOYRHP-IUODEOHRSA-N 0 3 283.799 2.896 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)CCCn1ccnc1 ZINC000341126765 263323225 /nfs/dbraw/zinc/32/32/25/263323225.db2.gz LTWZMWOEDWOETA-UHFFFAOYSA-N 0 3 287.794 2.910 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000341431810 263338167 /nfs/dbraw/zinc/33/81/67/263338167.db2.gz KQJFTNNKKHFKFM-MRVPVSSYSA-N 0 3 265.300 2.794 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000341870849 263360589 /nfs/dbraw/zinc/36/05/89/263360589.db2.gz BTJSNAQXWQFJFA-VXGBXAGGSA-N 0 3 297.370 2.678 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000341870847 263360699 /nfs/dbraw/zinc/36/06/99/263360699.db2.gz BTJSNAQXWQFJFA-NWDGAFQWSA-N 0 3 297.370 2.678 20 30 CFEDHN COCC1(C#N)CCN(CCCc2ccsc2)CC1 ZINC000341983852 263371217 /nfs/dbraw/zinc/37/12/17/263371217.db2.gz FYANURVBCKYSLC-UHFFFAOYSA-N 0 3 278.421 2.933 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc2c(c1)sc(=O)n2C ZINC000194972101 263811215 /nfs/dbraw/zinc/81/12/15/263811215.db2.gz WJTXJZCHTYROFP-UHFFFAOYSA-N 0 3 276.405 2.998 20 30 CFEDHN C=CCCCN(C)C(=O)NCCN(C)Cc1ccccc1 ZINC000125419971 264006370 /nfs/dbraw/zinc/00/63/70/264006370.db2.gz LYQSDSLFRMNOGW-UHFFFAOYSA-N 0 3 289.423 2.726 20 30 CFEDHN Cc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000330908791 264075337 /nfs/dbraw/zinc/07/53/37/264075337.db2.gz ORUJGGCYHLQUDJ-NWDGAFQWSA-N 0 3 291.351 2.691 20 30 CFEDHN Cc1cccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000330908792 264075619 /nfs/dbraw/zinc/07/56/19/264075619.db2.gz ORUJGGCYHLQUDJ-VXGBXAGGSA-N 0 3 291.351 2.691 20 30 CFEDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000330912937 264076171 /nfs/dbraw/zinc/07/61/71/264076171.db2.gz REQUCVNZVXBSCM-WCQYABFASA-N 0 3 291.351 2.691 20 30 CFEDHN Cc1cc2cc[nH]c2cc1NC(=O)NC[C@@H](C)N(C)C ZINC000331279097 264171202 /nfs/dbraw/zinc/17/12/02/264171202.db2.gz ALOOYHDPWCRPOV-LLVKDONJSA-N 0 3 274.368 2.752 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1cccc(OCC)c1 ZINC000076737028 264343604 /nfs/dbraw/zinc/34/36/04/264343604.db2.gz FKCKPVLFYXEKDH-UHFFFAOYSA-N 0 3 290.407 2.600 20 30 CFEDHN CC(C)C[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000130350544 264350073 /nfs/dbraw/zinc/35/00/73/264350073.db2.gz XOEISSARDXXJKD-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C)(C)[C@H](CCO)NCC#Cc1ccc(F)cc1 ZINC000183694064 264596600 /nfs/dbraw/zinc/59/66/00/264596600.db2.gz XAGXGRXBZPXCKR-HNNXBMFYSA-N 0 3 263.356 2.564 20 30 CFEDHN C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000353814362 264990665 /nfs/dbraw/zinc/99/06/65/264990665.db2.gz ZTCWJKCHHXRATG-QINHECLXSA-N 0 3 290.432 2.737 20 30 CFEDHN C=CCN1CCC(N[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000185210825 265015604 /nfs/dbraw/zinc/01/56/04/265015604.db2.gz YKRNAQZTYCLGDS-QGZVFWFLSA-N 0 3 296.418 2.739 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000320782756 265034642 /nfs/dbraw/zinc/03/46/42/265034642.db2.gz RPEKXBOPMDDHMX-YPMHNXCESA-N 0 3 264.325 2.573 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@H]2COCC[C@@H]21 ZINC000335744034 265197278 /nfs/dbraw/zinc/19/72/78/265197278.db2.gz CVMWITFKISAHIL-IRXDYDNUSA-N 0 3 255.361 2.539 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000098030170 265641130 /nfs/dbraw/zinc/64/11/30/265641130.db2.gz RDEHYCWJNJAYHT-GJZGRUSLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(Cl)cc1F ZINC000320947986 266023988 /nfs/dbraw/zinc/02/39/88/266023988.db2.gz GKYRFLIXGJQWDQ-GFCCVEGCSA-N 0 3 257.736 2.896 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000356258823 266082066 /nfs/dbraw/zinc/08/20/66/266082066.db2.gz SPIFFUDTGGEVGW-FRFSOERESA-N 0 3 287.407 2.734 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CC(C)=C[C@H](C)C2)C1=O ZINC000356320148 266094756 /nfs/dbraw/zinc/09/47/56/266094756.db2.gz NZIMUODLGSDISY-IMJJTQAJSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357025032 266235613 /nfs/dbraw/zinc/23/56/13/266235613.db2.gz OFVWDWJJBFNUSG-OAHLLOKOSA-N 0 3 276.424 2.699 20 30 CFEDHN C=CCCC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000357154863 266256098 /nfs/dbraw/zinc/25/60/98/266256098.db2.gz WKYIKUASDCATIW-HNNXBMFYSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000357514600 266314224 /nfs/dbraw/zinc/31/42/24/266314224.db2.gz FSTUIBWGIPNMBM-KBPBESRZSA-N 0 3 293.411 2.926 20 30 CFEDHN C=CCN(CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000357549749 266320370 /nfs/dbraw/zinc/32/03/70/266320370.db2.gz DPUUSLHLZRANHQ-UHFFFAOYSA-N 0 3 275.377 2.599 20 30 CFEDHN C=CCN(C(=O)NCCN1CCCC[C@@H]1CC)C1CC1 ZINC000357587661 266332072 /nfs/dbraw/zinc/33/20/72/266332072.db2.gz JOPRLBPASNLBGC-AWEZNQCLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)N2[C@H](CC)CC[C@@H]2C)CC1 ZINC000357587959 266332716 /nfs/dbraw/zinc/33/27/16/266332716.db2.gz KQRNUHOQJHDVGS-DZGCQCFKSA-N 0 3 279.428 2.609 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000357840120 266374577 /nfs/dbraw/zinc/37/45/77/266374577.db2.gz UQFFADBYRHUWPO-VIFPVBQESA-N 0 3 264.275 2.615 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000361465623 266827185 /nfs/dbraw/zinc/82/71/85/266827185.db2.gz DKAOHSUAIXXURZ-XJKSGUPXSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@H](COCC2CC2)C1 ZINC000362584876 267010955 /nfs/dbraw/zinc/01/09/55/267010955.db2.gz ZLQMHMVGNKZJFP-HOCLYGCPSA-N 0 3 267.413 2.859 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000367612626 267104859 /nfs/dbraw/zinc/10/48/59/267104859.db2.gz DPVZNCJFCTZUFW-AEFFLSMTSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCOCC[C@H]2C)cc1 ZINC000367707536 267112087 /nfs/dbraw/zinc/11/20/87/267112087.db2.gz PNPJIYLPQFIDDW-KGLIPLIRSA-N 0 3 274.364 2.588 20 30 CFEDHN C=CCCCCCCNC(=O)C12CCCN1CCC2 ZINC000367804004 267118736 /nfs/dbraw/zinc/11/87/36/267118736.db2.gz ILBHHJWVZKUSSW-UHFFFAOYSA-N 0 3 264.413 2.868 20 30 CFEDHN C#Cc1ccc(CN2CCC(C)(c3nc(C)no3)CC2)cc1 ZINC000368022458 267136789 /nfs/dbraw/zinc/13/67/89/267136789.db2.gz OMUJOAGJWAJACV-UHFFFAOYSA-N 0 3 295.386 2.913 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCCN1CCCC[C@H]1CC ZINC000116959284 267195016 /nfs/dbraw/zinc/19/50/16/267195016.db2.gz UHTTXFYRBSICLV-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN CCC(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000369350345 267238116 /nfs/dbraw/zinc/23/81/16/267238116.db2.gz SFUDFKIRHVGDFJ-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000369556310 267250835 /nfs/dbraw/zinc/25/08/35/267250835.db2.gz KVSLEIGPAHBOFW-GDBMZVCRSA-N 0 3 280.412 2.586 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](NCC2(C#N)CCC2)C[C@H]1C ZINC000418141908 267364027 /nfs/dbraw/zinc/36/40/27/267364027.db2.gz MEYAHQFMRLSOOI-HZSPNIEDSA-N 0 3 278.396 2.638 20 30 CFEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCC2)cc1 ZINC000418145510 267366099 /nfs/dbraw/zinc/36/60/99/267366099.db2.gz YINBTXPANQLVEZ-ZDUSSCGKSA-N 0 3 258.365 2.910 20 30 CFEDHN C=CCN(Cc1cc[nH]n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371371998 267396083 /nfs/dbraw/zinc/39/60/83/267396083.db2.gz DWZRBCJZDALJAS-GOSISDBHSA-N 0 3 296.418 2.672 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000371378413 267398049 /nfs/dbraw/zinc/39/80/49/267398049.db2.gz IOSGXHHJJJKOGB-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CN1Cc2ccccc2[C@H](N[C@@H]2CCC[C@H](C#N)C2)C1 ZINC000373055416 267634627 /nfs/dbraw/zinc/63/46/27/267634627.db2.gz JRPNPDAIENMVNM-YSVLISHTSA-N 0 3 269.392 2.845 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2c3ccccc3CC[C@H]2CO)C1 ZINC000373211584 267648992 /nfs/dbraw/zinc/64/89/92/267648992.db2.gz VLLKTHDUUGSEFN-VKZRIFJHSA-N 0 3 284.403 2.954 20 30 CFEDHN CSCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000376740763 268013532 /nfs/dbraw/zinc/01/35/32/268013532.db2.gz YQEAKSGQKIVHGO-UHFFFAOYSA-N 0 3 275.421 2.692 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CC(C)C)CC1 ZINC000376952724 268032581 /nfs/dbraw/zinc/03/25/81/268032581.db2.gz BCQFNCVLEKNBFS-HNNXBMFYSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(c2nc(C)cc(C)n2)CC1 ZINC000376999554 268038493 /nfs/dbraw/zinc/03/84/93/268038493.db2.gz HAXJBJIQYDLKBJ-MRXNPFEDSA-N 0 3 289.423 2.600 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000123374688 268040116 /nfs/dbraw/zinc/04/01/16/268040116.db2.gz JBYCUKWRFJPSEO-OKILXGFUSA-N 0 3 277.412 2.544 20 30 CFEDHN N#Cc1ccc(CNCC23CC(C2)CO3)c(C(F)(F)F)c1 ZINC000527792401 268232403 /nfs/dbraw/zinc/23/24/03/268232403.db2.gz ZOEPNJPVEJQANL-UHFFFAOYSA-N 0 3 296.292 2.846 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@@H]2CCC[C@H]2C2CC2)C(N)=O)cc1 ZINC000516917102 268263915 /nfs/dbraw/zinc/26/39/15/268263915.db2.gz RCMXZBZJINIOQB-ULQDDVLXSA-N 0 3 297.402 2.501 20 30 CFEDHN N#Cc1ncccc1NC[C@@H]1CCN1C1CCCCC1 ZINC000528119912 268323707 /nfs/dbraw/zinc/32/37/07/268323707.db2.gz YBSZLZRHLOODNJ-AWEZNQCLSA-N 0 3 270.380 2.772 20 30 CFEDHN CC1(C)CCC[C@@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000299222249 273580420 /nfs/dbraw/zinc/58/04/20/273580420.db2.gz HYAMEOCMDCNSDD-CVEARBPZSA-N 0 3 297.402 2.832 20 30 CFEDHN C[C@@H](C(=O)N1CCc2ccc(C#N)cc21)N1CCCCCC1 ZINC000270181296 274195129 /nfs/dbraw/zinc/19/51/29/274195129.db2.gz GLEVJTWPHRVMHD-AWEZNQCLSA-N 0 3 297.402 2.712 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115598261 274287137 /nfs/dbraw/zinc/28/71/37/274287137.db2.gz FEXWRISIYVEBJG-WQVCFCJDSA-N 0 3 285.391 2.501 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@H](C)C2CCCC2)c(C#N)c1C ZINC000184646199 274877244 /nfs/dbraw/zinc/87/72/44/274877244.db2.gz WJWBXLQDKSMPIF-LLVKDONJSA-N 0 3 289.379 2.875 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N[C@@H](C)CC ZINC000284966931 275385078 /nfs/dbraw/zinc/38/50/78/275385078.db2.gz CUGISOFIZDGFEY-YQQAZPJKSA-N 0 3 286.419 2.514 20 30 CFEDHN C#Cc1ccc(CN[C@H](C)C(=O)N2CCCC[C@H]2C)cc1 ZINC000289290292 275388138 /nfs/dbraw/zinc/38/81/38/275388138.db2.gz POJRPQLIOCHZFU-HUUCEWRRSA-N 0 3 284.403 2.547 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCc2ccc(Br)cc21 ZINC000289971641 275436101 /nfs/dbraw/zinc/43/61/01/275436101.db2.gz XMOIJRYHLPFFPR-WCQYABFASA-N 0 3 282.181 2.573 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353567671 275436110 /nfs/dbraw/zinc/43/61/10/275436110.db2.gz HGTHGQAMPQLEMR-XHDPSFHLSA-N 0 3 261.365 2.554 20 30 CFEDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000351622564 276040477 /nfs/dbraw/zinc/04/04/77/276040477.db2.gz WFEHGSJSBDENIZ-RRFJBIMHSA-N 0 3 279.428 2.695 20 30 CFEDHN CCOC[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341699052 276329368 /nfs/dbraw/zinc/32/93/68/276329368.db2.gz QLHLQSRZEVQOSD-MLGOLLRUSA-N 0 3 258.365 2.950 20 30 CFEDHN C=C(C)CCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000274834515 276857368 /nfs/dbraw/zinc/85/73/68/276857368.db2.gz NEMDHEJSIMCTKK-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN CN1CCN(CC#Cc2ccc(Cl)cc2)C(C)(C)C1 ZINC000271018122 277103938 /nfs/dbraw/zinc/10/39/38/277103938.db2.gz IONNAHHBWVDLBO-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN CN1CC[C@@H]2CCN(c3c(Cl)cccc3C#N)C[C@@H]21 ZINC000375036766 277146482 /nfs/dbraw/zinc/14/64/82/277146482.db2.gz HOGIXXVRIRTHKD-RISCZKNCSA-N 0 3 275.783 2.742 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000355018035 278132574 /nfs/dbraw/zinc/13/25/74/278132574.db2.gz CQKJHSSZKYXKHL-GMTAPVOTSA-N 0 3 260.312 2.820 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1c(C#N)cccc1[N+](=O)[O-] ZINC000425201493 278254325 /nfs/dbraw/zinc/25/43/25/278254325.db2.gz AIMBYVWRKCXPFZ-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN C[C@@H](CO)[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000274029044 278291145 /nfs/dbraw/zinc/29/11/45/278291145.db2.gz NQEQWRGJBOVUJW-NWDGAFQWSA-N 0 3 285.309 2.663 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CCN(C)C2=O)CC1 ZINC000373172391 278309500 /nfs/dbraw/zinc/30/95/00/278309500.db2.gz IYEYALKSJLHLHN-CQSZACIVSA-N 0 3 297.402 2.564 20 30 CFEDHN C[C@@H](NCCNc1ccccn1)c1ccc(C#N)cc1F ZINC000358580536 278347698 /nfs/dbraw/zinc/34/76/98/278347698.db2.gz XZNMQQODRPCZGP-GFCCVEGCSA-N 0 3 284.338 2.855 20 30 CFEDHN C[C@H](CO)N(CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000279196938 279356879 /nfs/dbraw/zinc/35/68/79/279356879.db2.gz FOXIXMPPLRVAAQ-CQSZACIVSA-N 0 3 275.367 2.803 20 30 CFEDHN C[C@H](NCCc1nccs1)c1ccc(C#N)cc1 ZINC000063133401 279473015 /nfs/dbraw/zinc/47/30/15/279473015.db2.gz VGWVOZKFTQJDOE-NSHDSACASA-N 0 3 257.362 2.908 20 30 CFEDHN C[C@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H](C)N1C ZINC000135265220 279880564 /nfs/dbraw/zinc/88/05/64/279880564.db2.gz ZMFGHFKDFPKKLU-QWRGUYRKSA-N 0 3 263.772 2.740 20 30 CFEDHN C[C@H]1CN(CCOc2ccccc2C#N)C[C@H](C)S1 ZINC000070383227 280484447 /nfs/dbraw/zinc/48/44/47/280484447.db2.gz KBVPGFLKZCKHPX-STQMWFEESA-N 0 3 276.405 2.763 20 30 CFEDHN CCN(C[C@@H](O)CSC)[C@H](C)c1ccc(C#N)cc1 ZINC000249447635 281058632 /nfs/dbraw/zinc/05/86/32/281058632.db2.gz LNCRDTRVSYJPNQ-IUODEOHRSA-N 0 3 278.421 2.665 20 30 CFEDHN Cc1cn2c(n1)CC[C@H](N[C@H](C)c1ccc(C#N)s1)C2 ZINC000134852191 281540710 /nfs/dbraw/zinc/54/07/10/281540710.db2.gz NWQZZBBPRLFAHI-NEPJUHHUSA-N 0 3 286.404 2.790 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000555414402 281914498 /nfs/dbraw/zinc/91/44/98/281914498.db2.gz WRFFCJDFVKEZAT-YXJHDRRASA-N 0 3 282.387 2.852 20 30 CFEDHN CC[C@@H]1CC[C@@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000558273916 281979842 /nfs/dbraw/zinc/97/98/42/281979842.db2.gz WNEXFLULWFTALN-PVAVHDDUSA-N 0 3 297.402 2.832 20 30 CFEDHN C[C@@H](C(=O)N(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000560828621 282043010 /nfs/dbraw/zinc/04/30/10/282043010.db2.gz ZAGMIKILVMNCKX-MCIONIFRSA-N 0 3 285.391 2.782 20 30 CFEDHN C[C@@H]1C[C@@H](C)N([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000562502684 290048386 /nfs/dbraw/zinc/04/83/86/290048386.db2.gz PRXBMSFAEVJRKC-CPUCHLNUSA-N 0 3 297.402 2.784 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CCNCc1cnc2c(C#N)cnn2c1 ZINC000566245844 290362039 /nfs/dbraw/zinc/36/20/39/290362039.db2.gz VWOPKMJTIWXUKP-UKRRQHHQSA-N 0 3 297.406 2.907 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2CN2CCCC2)s1 ZINC000179646530 294911679 /nfs/dbraw/zinc/91/16/79/294911679.db2.gz UKPBFMQELDONOG-CYBMUJFWSA-N 0 3 275.421 2.680 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(C(=O)C(C)C#N)[C@H]2C ZINC000332679759 295262426 /nfs/dbraw/zinc/26/24/26/295262426.db2.gz LVOHPXJWAXZRHP-WOPDTQHZSA-N 0 3 272.348 2.689 20 30 CFEDHN C=C(C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395485983 328738972 /nfs/dbraw/zinc/73/89/72/328738972.db2.gz MOABOVUQKXQZLS-UHFFFAOYSA-N 0 3 250.298 2.659 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001085484744 782077015 /nfs/dbraw/zinc/07/70/15/782077015.db2.gz KJOIXGFDFMLHCI-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085487544 782080319 /nfs/dbraw/zinc/08/03/19/782080319.db2.gz BVAMKLROUZOKKD-MRXNPFEDSA-N 0 3 287.407 2.503 20 30 CFEDHN CC(C)(CC#N)CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000563000354 327741264 /nfs/dbraw/zinc/74/12/64/327741264.db2.gz KLQGCPPJZXHILB-CQSZACIVSA-N 0 3 280.799 2.773 20 30 CFEDHN N#CCCCCNCc1nccn1-c1ccccc1 ZINC000190949686 327871984 /nfs/dbraw/zinc/87/19/84/327871984.db2.gz DYMIIRYTKZVFJH-UHFFFAOYSA-N 0 3 254.337 2.656 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000305100290 329004212 /nfs/dbraw/zinc/00/42/12/329004212.db2.gz XLEKCUVBMQCLET-JCYILVPMSA-N 0 3 280.456 2.510 20 30 CFEDHN C=CCCCCCNC(=O)N(CCN(C)C)C(C)C ZINC000570982994 327969417 /nfs/dbraw/zinc/96/94/17/327969417.db2.gz GOYJKXCJNWXOCO-UHFFFAOYSA-N 0 3 269.433 2.714 20 30 CFEDHN C[C@H](CCC#N)N1CCN(C2CCC(C)CC2)CC1 ZINC000411271462 328081829 /nfs/dbraw/zinc/08/18/29/328081829.db2.gz LCSGNVNZNBYRRX-HWOWSKLDSA-N 0 3 263.429 2.875 20 30 CFEDHN CCc1noc(C2CCC(NCC3(C#N)CC3)CC2)n1 ZINC000571117647 328086861 /nfs/dbraw/zinc/08/68/61/328086861.db2.gz VGGRCRRTOCFVAK-UHFFFAOYSA-N 0 3 274.368 2.552 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000272646869 328200258 /nfs/dbraw/zinc/20/02/58/328200258.db2.gz YOVMZPZNUZLGRR-UHFFFAOYSA-N 0 3 271.364 2.641 20 30 CFEDHN C[C@H]1COc2ccccc2CN1CCCSCC#N ZINC000272949705 328201895 /nfs/dbraw/zinc/20/18/95/328201895.db2.gz MFAOCJUHGZQJOA-ZDUSSCGKSA-N 0 3 276.405 2.916 20 30 CFEDHN CC#CCN(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174950954 329161673 /nfs/dbraw/zinc/16/16/73/329161673.db2.gz WVFRHCCBGKNYQI-QGZVFWFLSA-N 0 3 256.393 2.606 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC)c1 ZINC000274168879 328208763 /nfs/dbraw/zinc/20/87/63/328208763.db2.gz AXAFQUBHPFHBFF-JSGCOSHPSA-N 0 3 274.364 2.876 20 30 CFEDHN C[C@H](CCC#N)N(C)CCOc1ccccc1F ZINC000276361071 328218144 /nfs/dbraw/zinc/21/81/44/328218144.db2.gz YOYHWTCXODDOLN-GFCCVEGCSA-N 0 3 250.317 2.829 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CO)c2ccc(F)cc2)C1 ZINC000278795800 328230292 /nfs/dbraw/zinc/23/02/92/328230292.db2.gz QVOBUNATUBDPFW-KCPJHIHWSA-N 0 3 262.328 2.531 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000281630725 328240757 /nfs/dbraw/zinc/24/07/57/328240757.db2.gz IFUUIBPEALJTNI-CJNGLKHVSA-N 0 3 274.364 2.588 20 30 CFEDHN CN(Cc1ccccc1N1CCOCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293417434 328275818 /nfs/dbraw/zinc/27/58/18/328275818.db2.gz IMSOREZPUVCBIB-DOTOQJQBSA-N 0 3 299.418 2.647 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2ccncc2F)CC1 ZINC000340478355 328282443 /nfs/dbraw/zinc/28/24/43/328282443.db2.gz JGUIQIVDSKXSPB-GFCCVEGCSA-N 0 3 263.360 2.522 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(C)c(Br)s1 ZINC000336742317 328284925 /nfs/dbraw/zinc/28/49/25/328284925.db2.gz WTDOYLBTRHGHGY-SECBINFHSA-N 0 3 290.226 2.846 20 30 CFEDHN Cc1noc(C)c1CCN(C)Cc1ccc(C#N)cc1 ZINC000164638159 322383481 /nfs/dbraw/zinc/38/34/81/322383481.db2.gz PBJBSFQFDHHEPN-UHFFFAOYSA-N 0 3 269.348 2.838 20 30 CFEDHN Cc1c(C#N)c(N2CCNC(C)(C)C2)nc2ccccc12 ZINC000571423399 322583208 /nfs/dbraw/zinc/58/32/08/322583208.db2.gz SDUKYJZWUUEWAX-UHFFFAOYSA-N 0 3 280.375 2.603 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000121139841 328364980 /nfs/dbraw/zinc/36/49/80/328364980.db2.gz XLAVCJBUTUMDHL-AWEZNQCLSA-N 0 3 290.407 2.598 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cn1)[C@@H]1COc2ccccc21 ZINC000575114099 322718535 /nfs/dbraw/zinc/71/85/35/322718535.db2.gz XCEFWDAMIZJJND-WBMJQRKESA-N 0 3 279.343 2.608 20 30 CFEDHN C=CCN(C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000121387618 328375352 /nfs/dbraw/zinc/37/53/52/328375352.db2.gz CXSFCHKOZOYRHP-WFASDCNBSA-N 0 3 283.799 2.896 20 30 CFEDHN CC1CC(C#N)(C(=O)Nc2ccc(CN(C)C)cc2)C1 ZINC000532012049 328389225 /nfs/dbraw/zinc/38/92/25/328389225.db2.gz IYYQWKYEGWPDDE-UHFFFAOYSA-N 0 3 271.364 2.627 20 30 CFEDHN N#Cc1ccc(CNCCc2cnn(-c3ccccc3)c2)o1 ZINC000174261035 323645544 /nfs/dbraw/zinc/64/55/44/323645544.db2.gz LHYRMTASUPSAPB-UHFFFAOYSA-N 0 3 292.342 2.669 20 30 CFEDHN C[C@H]1CCCCN1CCNCc1cc(C#N)cs1 ZINC000177685474 323700553 /nfs/dbraw/zinc/70/05/53/323700553.db2.gz FJXOFOZMCUVFMI-LBPRGKRZSA-N 0 3 263.410 2.584 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1OC)[C@@H]1CCCO1 ZINC000182264827 323851109 /nfs/dbraw/zinc/85/11/09/323851109.db2.gz WPKCOOIHSKHDHS-GJZGRUSLSA-N 0 3 274.364 2.614 20 30 CFEDHN CC[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000577035667 324687354 /nfs/dbraw/zinc/68/73/54/324687354.db2.gz QBYAIEAPJXFINI-IKGGRYGDSA-N 0 3 297.402 2.752 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CC3(CCC3)C2)cc1F ZINC000579943092 324992460 /nfs/dbraw/zinc/99/24/60/324992460.db2.gz ZHZRFFYVXRCVOJ-UHFFFAOYSA-N 0 3 288.366 2.730 20 30 CFEDHN CC(C)C[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580193047 325014913 /nfs/dbraw/zinc/01/49/13/325014913.db2.gz BWJSXIHTGPCOKO-AWEZNQCLSA-N 0 3 297.406 2.859 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)CC1(C)CC1 ZINC000580392198 325031293 /nfs/dbraw/zinc/03/12/93/325031293.db2.gz MGDBBKOWQADWTA-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582726951 325229150 /nfs/dbraw/zinc/22/91/50/325229150.db2.gz UUSOEQHFOJUBNQ-QWHCGFSZSA-N 0 3 297.406 3.000 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCCN1CCCC1=O ZINC000583318313 325277343 /nfs/dbraw/zinc/27/73/43/325277343.db2.gz LQYMCPCRGJFLRV-AWEZNQCLSA-N 0 3 285.391 2.564 20 30 CFEDHN C#CCN(CCc1cccnc1)Cc1ccc(F)cc1 ZINC000172076001 335093605 /nfs/dbraw/zinc/09/36/05/335093605.db2.gz DTSBZJAYYZKFHQ-UHFFFAOYSA-N 0 3 268.335 2.899 20 30 CFEDHN C=CCOc1ccc(CNC[C@@]2(C)CCCO2)cc1OC ZINC000152888139 326944132 /nfs/dbraw/zinc/94/41/32/326944132.db2.gz KCJWIHRCFIHFLX-QGZVFWFLSA-N 0 3 291.391 2.919 20 30 CFEDHN N#CCCCNC[C@H](O)Cc1ccc2ccccc2c1 ZINC000584109019 326975756 /nfs/dbraw/zinc/97/57/56/326975756.db2.gz HECQDFQQIBHRHI-QGZVFWFLSA-N 0 3 268.360 2.637 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CC[C@H]2CCCO2)CC1 ZINC000558627713 327111083 /nfs/dbraw/zinc/11/10/83/327111083.db2.gz SKQMUFADLQQWGR-OAHLLOKOSA-N 0 3 285.391 2.508 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000573480138 327183001 /nfs/dbraw/zinc/18/30/01/327183001.db2.gz ACLURLHELNQSNK-LVQVYYBASA-N 0 3 268.360 2.674 20 30 CFEDHN C=CCOc1ccccc1CNCCN1CCCCC1 ZINC000047888524 327225098 /nfs/dbraw/zinc/22/50/98/327225098.db2.gz XBEDFYWLRSRSHN-UHFFFAOYSA-N 0 3 274.408 2.827 20 30 CFEDHN C[C@@H](C(=O)N1CCC(CCC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000573969119 327276966 /nfs/dbraw/zinc/27/69/66/327276966.db2.gz LNCVYNVCMHQKEC-ZNMIVQPWSA-N 0 3 291.439 2.790 20 30 CFEDHN Cc1cnn(CCCCCN2CCC(C#N)CC2)c1 ZINC000111209648 327277543 /nfs/dbraw/zinc/27/75/43/327277543.db2.gz GORWNRMGTRXMRQ-UHFFFAOYSA-N 0 3 260.385 2.597 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000569617297 327307659 /nfs/dbraw/zinc/30/76/59/327307659.db2.gz YQIKIHWNYAAJKQ-XJKSGUPXSA-N 0 3 272.392 2.673 20 30 CFEDHN CCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1CC ZINC000578536610 327343432 /nfs/dbraw/zinc/34/34/32/327343432.db2.gz JGIVIEDKMFELHY-OAHLLOKOSA-N 0 3 273.380 2.771 20 30 CFEDHN COc1ccc(CN(C)C)cc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000519804391 328696911 /nfs/dbraw/zinc/69/69/11/328696911.db2.gz CQCWKKLZZDXKRP-TZMCWYRMSA-N 0 3 273.380 2.861 20 30 CFEDHN CCN(CC)Cc1cccc(NC(=O)CSCC#N)c1 ZINC000041830420 328715328 /nfs/dbraw/zinc/71/53/28/328715328.db2.gz CDRHECKMJJQEFW-UHFFFAOYSA-N 0 3 291.420 2.724 20 30 CFEDHN C=CCN(C(=O)C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000377573572 329019217 /nfs/dbraw/zinc/01/92/17/329019217.db2.gz OZEMYAWYRIYGNQ-QGZVFWFLSA-N 0 3 284.403 2.686 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](OC)CC1 ZINC000378638352 329057414 /nfs/dbraw/zinc/05/74/14/329057414.db2.gz QVRBDADAFPSJKB-MRXNPFEDSA-N 0 3 273.376 2.700 20 30 CFEDHN CCCn1cc(CN2CCC(CCC#N)CC2)cn1 ZINC000582607006 329115618 /nfs/dbraw/zinc/11/56/18/329115618.db2.gz IOGHDFXNUOFWAL-UHFFFAOYSA-N 0 3 260.385 2.809 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)CC[C@H]2C)CC1 ZINC000176499080 329176001 /nfs/dbraw/zinc/17/60/01/329176001.db2.gz DXWTTYLGXWONCQ-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C#CCCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000180013294 329214586 /nfs/dbraw/zinc/21/45/86/329214586.db2.gz BOWIWVLXNKENQT-MRXNPFEDSA-N 0 3 276.424 2.657 20 30 CFEDHN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000180446875 329217279 /nfs/dbraw/zinc/21/72/79/329217279.db2.gz GZTFNKGLBMMEPY-UHFFFAOYSA-N 0 3 279.428 2.790 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180952770 329224410 /nfs/dbraw/zinc/22/44/10/329224410.db2.gz KGJPUUVRRCLZHK-MNOVXSKESA-N 0 3 285.384 2.844 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000181047881 329225422 /nfs/dbraw/zinc/22/54/22/329225422.db2.gz YTAFHBHWGIASSE-UHFFFAOYSA-N 0 3 287.363 2.965 20 30 CFEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000181050666 329225425 /nfs/dbraw/zinc/22/54/25/329225425.db2.gz XJRVYYBOIBWINH-UHFFFAOYSA-N 0 3 299.374 2.856 20 30 CFEDHN CCOCCN(C)Cc1cccc(OCCCC#N)c1 ZINC000181488764 329233631 /nfs/dbraw/zinc/23/36/31/329233631.db2.gz UDBRQOZJBNEGIM-UHFFFAOYSA-N 0 3 276.380 2.837 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182152868 329240355 /nfs/dbraw/zinc/24/03/55/329240355.db2.gz WRPQHGCTTGHXPG-ZDUSSCGKSA-N 0 3 276.380 2.888 20 30 CFEDHN C=C(C)CN[C@@H](CO)c1cccc(Br)c1 ZINC000183912341 329254261 /nfs/dbraw/zinc/25/42/61/329254261.db2.gz NRGOIHZQUHDJFF-LBPRGKRZSA-N 0 3 270.170 2.648 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000321292678 329340664 /nfs/dbraw/zinc/34/06/64/329340664.db2.gz HNHFEBKGWBTIMH-JQWIXIFHSA-N 0 3 255.308 2.943 20 30 CFEDHN C[C@H]1CCCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000187964765 329361780 /nfs/dbraw/zinc/36/17/80/329361780.db2.gz CBJHMKJVGFGXIM-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CCC(C)(C)NC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399315224 329450561 /nfs/dbraw/zinc/45/05/61/329450561.db2.gz VMQOXNBVHUZXFA-CYBMUJFWSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1ncc(C)cn1)C(C)C ZINC000124089970 329566749 /nfs/dbraw/zinc/56/67/49/329566749.db2.gz VRMYGVJQUAXPNM-OAHLLOKOSA-N 0 3 274.412 2.896 20 30 CFEDHN CC[C@@H](C)[C@@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000126884356 329595223 /nfs/dbraw/zinc/59/52/23/329595223.db2.gz YVRYPWRIIIPCMA-AKBUMOGYSA-N 0 3 272.392 2.607 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCCCC)CC1 ZINC000194884608 329689355 /nfs/dbraw/zinc/68/93/55/329689355.db2.gz BTDXLXSHYVSFPA-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCC(C)(C)CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419178305 329710185 /nfs/dbraw/zinc/71/01/85/329710185.db2.gz FTAKNMXMONTEIU-AWEZNQCLSA-N 0 3 294.826 2.928 20 30 CFEDHN C=CCN(CC=C)Cc1cccc(CN2CCOCC2)c1 ZINC000420899626 329787040 /nfs/dbraw/zinc/78/70/40/329787040.db2.gz GJQCDMFVDSDWLE-UHFFFAOYSA-N 0 3 286.419 2.693 20 30 CFEDHN C=CCNC(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000078410595 329958967 /nfs/dbraw/zinc/95/89/67/329958967.db2.gz LZBIQWMTHNGKSJ-CYBMUJFWSA-N 0 3 281.425 2.616 20 30 CFEDHN C=CCCN1CCNC[C@@H]1c1ccccc1Cl ZINC000262151823 330000624 /nfs/dbraw/zinc/00/06/24/330000624.db2.gz FXXUARRAXAWGPN-CQSZACIVSA-N 0 3 250.773 2.862 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCC#Cc1cccc(F)c1 ZINC000572394615 330057608 /nfs/dbraw/zinc/05/76/08/330057608.db2.gz MHMWRTYCPFGYIG-BEFAXECRSA-N 0 3 297.373 2.931 20 30 CFEDHN N#CCCC[C@H](NCCN1CCCC1=O)c1ccccc1 ZINC000433023465 330122852 /nfs/dbraw/zinc/12/28/52/330122852.db2.gz QDGYTQGVXKQPBQ-INIZCTEOSA-N 0 3 285.391 2.634 20 30 CFEDHN C=CCC[C@H](Nc1ccc(N2CCNCC2)cn1)C1CC1 ZINC000423228582 330180339 /nfs/dbraw/zinc/18/03/39/330180339.db2.gz DFCIVKRXXBKNFR-INIZCTEOSA-N 0 3 286.423 2.648 20 30 CFEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424073745 330220546 /nfs/dbraw/zinc/22/05/46/330220546.db2.gz GCBCMZUEPVLRCB-GFCCVEGCSA-N 0 3 265.744 2.608 20 30 CFEDHN C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424085395 330222879 /nfs/dbraw/zinc/22/28/79/330222879.db2.gz CUTCNENYVFFAHP-BXUZGUMPSA-N 0 3 293.798 2.881 20 30 CFEDHN CCCN(Cc1ccc(F)cc1)C(=O)[C@H](N)CCCC#N ZINC000424082014 330223721 /nfs/dbraw/zinc/22/37/21/330223721.db2.gz BCOONJQQQUXJCV-OAHLLOKOSA-N 0 3 291.370 2.585 20 30 CFEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424087013 330223790 /nfs/dbraw/zinc/22/37/90/330223790.db2.gz CZVAWUWFWWZUBL-GXTWGEPZSA-N 0 3 299.374 2.940 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000424089317 330224269 /nfs/dbraw/zinc/22/42/69/330224269.db2.gz KTGZOXSPOULWDQ-SJORKVTESA-N 0 3 299.418 2.631 20 30 CFEDHN CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](N)CCCC#N ZINC000424090317 330225020 /nfs/dbraw/zinc/22/50/20/330225020.db2.gz MHCQWIOYIAJAJA-CQSZACIVSA-N 0 3 293.798 2.710 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000424093086 330226319 /nfs/dbraw/zinc/22/63/19/330226319.db2.gz RCZAFPCEQPLYQP-HUUCEWRRSA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@H]1CCN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424094475 330226609 /nfs/dbraw/zinc/22/66/09/330226609.db2.gz LSEOVKWQPYMBAV-GXTWGEPZSA-N 0 3 271.364 2.548 20 30 CFEDHN C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H](N)CCCC#N ZINC000424105710 330234281 /nfs/dbraw/zinc/23/42/81/330234281.db2.gz WIYMJOIKYAFPEV-QMTHXVAHSA-N 0 3 295.333 2.505 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000424111045 330239303 /nfs/dbraw/zinc/23/93/03/330239303.db2.gz FKWIJKMZEQJRNH-IRXDYDNUSA-N 0 3 299.418 2.804 20 30 CFEDHN C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424122882 330255007 /nfs/dbraw/zinc/25/50/07/330255007.db2.gz JXLVVJUUDJHFCL-WMZOPIPTSA-N 0 3 299.418 2.588 20 30 CFEDHN CC(C)CC[C@H](NC(=O)[C@H](N)CCCC#N)C(C)(C)C ZINC000424133131 330265531 /nfs/dbraw/zinc/26/55/31/330265531.db2.gz XAMBCUPQDTVQFG-KGLIPLIRSA-N 0 3 281.444 2.975 20 30 CFEDHN CC(C)(NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424133621 330266350 /nfs/dbraw/zinc/26/63/50/330266350.db2.gz XORUMLVUEUAWFH-ZDUSSCGKSA-N 0 3 293.798 2.712 20 30 CFEDHN CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424140497 330280801 /nfs/dbraw/zinc/28/08/01/330280801.db2.gz SJXOULCHXWXSSL-GJZGRUSLSA-N 0 3 279.428 2.825 20 30 CFEDHN Cc1ccccc1[C@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424141877 330283817 /nfs/dbraw/zinc/28/38/17/330283817.db2.gz PFCIBHLZKCDTQR-HZPDHXFCSA-N 0 3 287.407 2.830 20 30 CFEDHN C=CCC[C@H](CC)N[C@H]1Cc2ccccc2NC1=O ZINC000527999340 330299735 /nfs/dbraw/zinc/29/97/35/330299735.db2.gz KTQAMHIKKWNBAQ-ZFWWWQNUSA-N 0 3 258.365 2.884 20 30 CFEDHN CCCN(CCc1cccs1)C(=O)[C@@H](N)CCCC#N ZINC000424170902 330311134 /nfs/dbraw/zinc/31/11/34/330311134.db2.gz LGGRMQKVSPRIGA-AWEZNQCLSA-N 0 3 293.436 2.550 20 30 CFEDHN CC(C)(C)Cc1csc(NC(=O)[C@H](N)CCCC#N)n1 ZINC000424169560 330312097 /nfs/dbraw/zinc/31/20/97/330312097.db2.gz JVNCEHWFGUENJU-LLVKDONJSA-N 0 3 294.424 2.691 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cccc2c1OC(F)(F)O2 ZINC000424175884 330316203 /nfs/dbraw/zinc/31/62/03/330316203.db2.gz VUVVAWWQZJQMQI-JQWIXIFHSA-N 0 3 297.301 2.689 20 30 CFEDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000424178222 330318175 /nfs/dbraw/zinc/31/81/75/330318175.db2.gz WEKHOXGBIPSBKN-PVAVHDDUSA-N 0 3 299.418 2.802 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nn(CC)c2ccccc12 ZINC000424178857 330318289 /nfs/dbraw/zinc/31/82/89/330318289.db2.gz XBYABQPALARBFR-GUYCJALGSA-N 0 3 285.391 2.737 20 30 CFEDHN CC1(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424183359 330319928 /nfs/dbraw/zinc/31/99/28/330319928.db2.gz VMEDVCCCDXYTTE-GJZGRUSLSA-N 0 3 285.391 2.546 20 30 CFEDHN CC1(C)C[C@H](NC(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424183358 330319981 /nfs/dbraw/zinc/31/99/81/330319981.db2.gz VMEDVCCCDXYTTE-CABCVRRESA-N 0 3 285.391 2.546 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000424187415 330320956 /nfs/dbraw/zinc/32/09/56/330320956.db2.gz IRJRDAYARNSSIZ-CVEARBPZSA-N 0 3 285.391 2.761 20 30 CFEDHN COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(C)c1OC ZINC000424194030 330324388 /nfs/dbraw/zinc/32/43/88/330324388.db2.gz ACWSRWKYHUUUOY-GXTWGEPZSA-N 0 3 274.364 2.794 20 30 CFEDHN Cc1ccc(-c2n[nH]cc2CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000424194903 330324442 /nfs/dbraw/zinc/32/44/42/330324442.db2.gz MFQTYIUVKXADTN-WCQYABFASA-N 0 3 270.336 2.760 20 30 CFEDHN CC(C)(C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](N)c1ccccc1 ZINC000424213580 330328799 /nfs/dbraw/zinc/32/87/99/330328799.db2.gz AESPYPMTIJYMLS-NWANDNLSSA-N 0 3 285.391 2.521 20 30 CFEDHN C=CCn1cc(CN[C@H](Cc2ccccc2)C2CC2)nn1 ZINC000424292683 330335107 /nfs/dbraw/zinc/33/51/07/330335107.db2.gz HDWVFDVHMQCITN-QGZVFWFLSA-N 0 3 282.391 2.575 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCCC(F)(F)F)nn1 ZINC000424294951 330335885 /nfs/dbraw/zinc/33/58/85/330335885.db2.gz MAAJQBQYUCTECD-JTQLQIEISA-N 0 3 276.306 2.675 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCc2cccc(F)c2)nn1 ZINC000424297912 330336453 /nfs/dbraw/zinc/33/64/53/330336453.db2.gz RIQRSSYPBYDFFB-ZDUSSCGKSA-N 0 3 288.370 2.714 20 30 CFEDHN C=CCn1cc(CN[C@H](C)C2C(C)(C)C2(C)C)nn1 ZINC000424300215 330337045 /nfs/dbraw/zinc/33/70/45/330337045.db2.gz XCWMXMIWNBFQJS-LLVKDONJSA-N 0 3 262.401 2.624 20 30 CFEDHN C=CCn1cc(CN[C@H](CCC)[C@H]2CC2(C)C)nn1 ZINC000424301350 330337926 /nfs/dbraw/zinc/33/79/26/330337926.db2.gz ZTQPJUVTXGYBMC-ZIAGYGMSSA-N 0 3 262.401 2.769 20 30 CFEDHN COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1O ZINC000424335479 330343261 /nfs/dbraw/zinc/34/32/61/330343261.db2.gz WRZHBTOVPNKPEG-NTZNESFSSA-N 0 3 260.337 2.744 20 30 CFEDHN COc1cc(OC)cc([C@H]2CCN(CCCC#N)C2)c1 ZINC000083403066 330357764 /nfs/dbraw/zinc/35/77/64/330357764.db2.gz PBQMDPIUPAJTAQ-ZDUSSCGKSA-N 0 3 274.364 2.797 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000424580943 330387295 /nfs/dbraw/zinc/38/72/95/330387295.db2.gz DQVKNGVPXFIKGO-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000424582082 330387573 /nfs/dbraw/zinc/38/75/73/330387573.db2.gz HLWKCVNGIDQYND-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000424584557 330389102 /nfs/dbraw/zinc/38/91/02/330389102.db2.gz NXXIIYVYFJBZOP-KBPBESRZSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN(C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000121251467 330398452 /nfs/dbraw/zinc/39/84/52/330398452.db2.gz FTUQCLJAQLANMG-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(=O)NCCc1ccc([C@H](C)NCC2(CC#N)CC2)cc1 ZINC000430732435 330571805 /nfs/dbraw/zinc/57/18/05/330571805.db2.gz BCSXHUHGNFSOKZ-AWEZNQCLSA-N 0 3 299.418 2.710 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NCCN1CCC(C)CC1 ZINC000432085522 330592313 /nfs/dbraw/zinc/59/23/13/330592313.db2.gz PZSDSWVOPVEBOB-UHFFFAOYSA-N 0 3 281.444 2.620 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000448544328 330632196 /nfs/dbraw/zinc/63/21/96/330632196.db2.gz XFMMUEOMKGRMPH-HNNXBMFYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCOCCNCc1c[nH]nc1-c1ccsc1 ZINC000436421314 330677343 /nfs/dbraw/zinc/67/73/43/330677343.db2.gz WDPFKIUVLQSIMC-UHFFFAOYSA-N 0 3 277.393 2.821 20 30 CFEDHN C=CC(C)(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000448584481 330694083 /nfs/dbraw/zinc/69/40/83/330694083.db2.gz YXSRSWTTXWMREU-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)c1ccccc1 ZINC000448637579 330748506 /nfs/dbraw/zinc/74/85/06/330748506.db2.gz IPJADCKHIRFWTG-LESCRADOSA-N 0 3 299.418 2.735 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C#N)C[C@@H]1C ZINC000448883454 330886797 /nfs/dbraw/zinc/88/67/97/330886797.db2.gz NXBUSOCDCAMPJN-KSSFIOAISA-N 0 3 299.418 2.646 20 30 CFEDHN CC#CCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000449225573 330907440 /nfs/dbraw/zinc/90/74/40/330907440.db2.gz KSBYITMLRLFMHB-UHFFFAOYSA-N 0 3 292.810 2.680 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1c(C)nn(C(C)(C)C)c1C ZINC000449518392 330933111 /nfs/dbraw/zinc/93/31/11/330933111.db2.gz JIMDANIYNWGPPS-CABCVRRESA-N 0 3 277.412 2.688 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)o1 ZINC000449547265 330935375 /nfs/dbraw/zinc/93/53/75/330935375.db2.gz HINLAWCJOLZUGJ-MNOVXSKESA-N 0 3 286.169 2.865 20 30 CFEDHN C=C(CC)CNCc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000449729331 330945969 /nfs/dbraw/zinc/94/59/69/330945969.db2.gz ALXHWLKPYPXEJE-ZDUSSCGKSA-N 0 3 277.364 2.683 20 30 CFEDHN C=CCOc1cccc(CNC[C@@H](O)C2CCC2)c1 ZINC000449740871 330947503 /nfs/dbraw/zinc/94/75/03/330947503.db2.gz RMUPXWMNMZAKSW-MRXNPFEDSA-N 0 3 261.365 2.502 20 30 CFEDHN N#CC1(CN[C@H](CCO)C2CCCCC2)CCC1 ZINC000450687498 330993724 /nfs/dbraw/zinc/99/37/24/330993724.db2.gz PDDYXNSOUJGZKP-CQSZACIVSA-N 0 3 250.386 2.601 20 30 CFEDHN COCCN(CC1(C#N)CCC1)[C@H]1CCC[C@H]1C ZINC000450846824 331002456 /nfs/dbraw/zinc/00/24/56/331002456.db2.gz PKGYCIQHOGGSAL-KGLIPLIRSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC/C=C/c2ccccc2)C1=O ZINC000450913844 331006893 /nfs/dbraw/zinc/00/68/93/331006893.db2.gz ZRUGFYOTSDZGOK-VDZSZVPASA-N 0 3 284.403 2.809 20 30 CFEDHN CC(C)(C#N)CCCC[NH+]1CCC(c2n[n-]c(=O)o2)CC1 ZINC000450920444 331007290 /nfs/dbraw/zinc/00/72/90/331007290.db2.gz XHDARAVSXNLZKS-UHFFFAOYSA-N 0 3 292.383 2.675 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCCN1CC1(C#N)CCC1 ZINC000450980231 331009965 /nfs/dbraw/zinc/00/99/65/331009965.db2.gz DQRXYBASYLWHIZ-KBPBESRZSA-N 0 3 250.386 2.696 20 30 CFEDHN CC[C@@H]1[C@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000451250283 331021935 /nfs/dbraw/zinc/02/19/35/331021935.db2.gz DFFCILYVMAYDQB-GOEBONIOSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451255450 331022137 /nfs/dbraw/zinc/02/21/37/331022137.db2.gz DCNKZAIOAHCHSM-HZPDHXFCSA-N 0 3 263.356 2.753 20 30 CFEDHN C=CCOCCCN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451335978 331024805 /nfs/dbraw/zinc/02/48/05/331024805.db2.gz VOLDEJNXXOIFQJ-OAHLLOKOSA-N 0 3 283.799 2.898 20 30 CFEDHN C[C@@]12CN(C[C@H](C#N)CCC#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369065 331026057 /nfs/dbraw/zinc/02/60/57/331026057.db2.gz NDIUFPLFFMXBRV-NPJQDHAYSA-N 0 3 255.365 2.574 20 30 CFEDHN C=CCOCCN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451411947 331028296 /nfs/dbraw/zinc/02/82/96/331028296.db2.gz VYMSSMFOWFKBSL-GHMZBOCLSA-N 0 3 251.292 2.852 20 30 CFEDHN O[C@@H]1CCC[C@H]1[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000451414036 331028418 /nfs/dbraw/zinc/02/84/18/331028418.db2.gz CRDJFPLPYSVZBZ-RCCFBDPRSA-N 0 3 287.378 2.803 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000451577017 331035102 /nfs/dbraw/zinc/03/51/02/331035102.db2.gz YOHLACXEMROSRX-LJIGWXMPSA-N 0 3 291.439 2.551 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000451600584 331035805 /nfs/dbraw/zinc/03/58/05/331035805.db2.gz RHEWTVIHXMJCPN-LZWOXQAQSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C(C)C)cc1 ZINC000451604099 331036232 /nfs/dbraw/zinc/03/62/32/331036232.db2.gz FYQQVLKWMHSZJU-CVEARBPZSA-N 0 3 288.391 2.682 20 30 CFEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccccc3)CC[C@H]2C1 ZINC000451700573 331039553 /nfs/dbraw/zinc/03/95/53/331039553.db2.gz OANVWWQUXQUBCB-RCCFBDPRSA-N 0 3 269.388 2.521 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(CC#N)cc1 ZINC000451739193 331040680 /nfs/dbraw/zinc/04/06/80/331040680.db2.gz JDLFHYADAUFREJ-QGZVFWFLSA-N 0 3 271.408 2.669 20 30 CFEDHN C=CCOCCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452063600 331052537 /nfs/dbraw/zinc/05/25/37/331052537.db2.gz XGWSVPCVMRHXNO-CQSZACIVSA-N 0 3 281.421 2.744 20 30 CFEDHN CCC[C@@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000452705818 331072623 /nfs/dbraw/zinc/07/26/23/331072623.db2.gz BCVFWXSFNPXYMZ-HOTGVXAUSA-N 0 3 288.391 2.690 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CCCN1CCCO)c1ccco1 ZINC000453260416 331108573 /nfs/dbraw/zinc/10/85/73/331108573.db2.gz JGFBKVNOATVMLY-CVEARBPZSA-N 0 3 292.423 2.723 20 30 CFEDHN C=CC(C)(C)CN[C@H](C)c1cc(C(=O)OC)co1 ZINC000453311165 331114612 /nfs/dbraw/zinc/11/46/12/331114612.db2.gz RVAXZOIGANQNLY-SNVBAGLBSA-N 0 3 251.326 2.929 20 30 CFEDHN C=C(C)CCN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453318027 331115819 /nfs/dbraw/zinc/11/58/19/331115819.db2.gz LZHUPPIOFNVCII-CQSZACIVSA-N 0 3 281.421 2.713 20 30 CFEDHN C=C(C)CCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453322555 331116582 /nfs/dbraw/zinc/11/65/82/331116582.db2.gz RHPOCEZSMSBENC-AWEZNQCLSA-N 0 3 260.316 2.589 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1nc2ccccc2n1C ZINC000453335707 331118229 /nfs/dbraw/zinc/11/82/29/331118229.db2.gz FPASWUCFVMVXCP-XPKDYRNWSA-N 0 3 285.391 2.958 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(C(C)C)c1C ZINC000453338603 331118771 /nfs/dbraw/zinc/11/87/71/331118771.db2.gz BBMWJBPDXUYOTK-GLQYFDAESA-N 0 3 263.385 2.767 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(OC)ccc1OC ZINC000453351255 331120652 /nfs/dbraw/zinc/12/06/52/331120652.db2.gz JHVQADXKXYSTCN-DFBGVHRSSA-N 0 3 277.364 2.698 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000453356705 331121701 /nfs/dbraw/zinc/12/17/01/331121701.db2.gz NEMVTGLHVUOCRO-ZYHUDNBSSA-N 0 3 284.787 2.721 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000453365246 331123131 /nfs/dbraw/zinc/12/31/31/331123131.db2.gz RGSVGLRHBNRBBY-CABCVRRESA-N 0 3 283.799 2.944 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2nc(C)sc21 ZINC000453371507 331124049 /nfs/dbraw/zinc/12/40/49/331124049.db2.gz UTZKAUNLAKIDLI-WXHSDQCUSA-N 0 3 264.394 2.762 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1OC ZINC000453621991 331136961 /nfs/dbraw/zinc/13/69/61/331136961.db2.gz AIMWCJFUQPWTSZ-HIFRSBDPSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2CC)CC1 ZINC000454536027 331148263 /nfs/dbraw/zinc/14/82/63/331148263.db2.gz GDOGLQYMFUCNBQ-CABCVRRESA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](CC)CC[C@@H]2C)CC1 ZINC000454552191 331148774 /nfs/dbraw/zinc/14/87/74/331148774.db2.gz SXQFJYQJFOJZSG-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC1(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000454637289 331150242 /nfs/dbraw/zinc/15/02/42/331150242.db2.gz FYQZPAYHUKSUML-HUUCEWRRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCC1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC000454640954 331150293 /nfs/dbraw/zinc/15/02/93/331150293.db2.gz KUGREGJWUNBEPX-CQSZACIVSA-N 0 3 291.439 2.659 20 30 CFEDHN C=CCC1(NC(=O)CN(CC)CC)CCCCC1 ZINC000456367528 331191321 /nfs/dbraw/zinc/19/13/21/331191321.db2.gz OHEFZCAVARQULS-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN CCc1ncc(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000456483020 331193592 /nfs/dbraw/zinc/19/35/92/331193592.db2.gz FLGWDGZBWUXEIP-CQSZACIVSA-N 0 3 297.358 2.626 20 30 CFEDHN C=CCC1(NC(=O)NC[C@H]2CCCN2C)CCCCC1 ZINC000457990230 331239306 /nfs/dbraw/zinc/23/93/06/331239306.db2.gz BPUIEAQEVCZSFA-CQSZACIVSA-N 0 3 279.428 2.659 20 30 CFEDHN CC(C)(CC#N)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000457996302 331240076 /nfs/dbraw/zinc/24/00/76/331240076.db2.gz SAAMTZSHDJPOQW-HNNXBMFYSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C#N)C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000458025066 331241119 /nfs/dbraw/zinc/24/11/19/331241119.db2.gz XPFYEHRGYVKVHH-NSHDSACASA-N 0 3 276.767 2.939 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CC(C)(C)C2)CC1 ZINC000458321073 331248582 /nfs/dbraw/zinc/24/85/82/331248582.db2.gz MXJVTOMLTPAACZ-UHFFFAOYSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2(CC)CCCC2)CC1 ZINC000458336007 331249330 /nfs/dbraw/zinc/24/93/30/331249330.db2.gz OXKMKQKBWZMUEJ-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=C(CC)CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000458789909 331259925 /nfs/dbraw/zinc/25/99/25/331259925.db2.gz ZEKJFJLTTKBBQJ-ZBFHGGJFSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCN(CC=C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000458902890 331262663 /nfs/dbraw/zinc/26/26/63/331262663.db2.gz AKMHHXUHZDZNPW-INIZCTEOSA-N 0 3 293.455 2.881 20 30 CFEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458994443 331265217 /nfs/dbraw/zinc/26/52/17/331265217.db2.gz GFNZFLKFYUACDI-UHFFFAOYSA-N 0 3 295.452 2.788 20 30 CFEDHN N#C[C@H]1CCC[C@H]1NCCCCC1CCOCC1 ZINC000459458939 331282447 /nfs/dbraw/zinc/28/24/47/331282447.db2.gz HNTCPUNFTUMDPR-HUUCEWRRSA-N 0 3 250.386 2.865 20 30 CFEDHN CCN(CCCN[C@@H]1CCC[C@H]1C#N)CC(F)(F)F ZINC000459488563 331284524 /nfs/dbraw/zinc/28/45/24/331284524.db2.gz WXZMNLKBKWCWEP-NWDGAFQWSA-N 0 3 277.334 2.543 20 30 CFEDHN C=C(CC)CNCc1ccccc1N1CCO[C@H](C)C1 ZINC000459564676 331288069 /nfs/dbraw/zinc/28/80/69/331288069.db2.gz SKEQEPWBDDDNFV-OAHLLOKOSA-N 0 3 274.408 2.968 20 30 CFEDHN CC(C)(C)c1nnc(CNCC(C)(C)CCC#N)[nH]1 ZINC000459679107 331293871 /nfs/dbraw/zinc/29/38/71/331293871.db2.gz ORHBHZLOTMMYAR-UHFFFAOYSA-N 0 3 263.389 2.522 20 30 CFEDHN CO[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC000459756828 331298789 /nfs/dbraw/zinc/29/87/89/331298789.db2.gz KJMDEABIXHNDKK-HZPDHXFCSA-N 0 3 255.361 2.585 20 30 CFEDHN CO[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000459773088 331299953 /nfs/dbraw/zinc/29/99/53/331299953.db2.gz SJOOBVBOUIKCKG-JKSUJKDBSA-N 0 3 273.351 2.724 20 30 CFEDHN CC#CCCNCc1ccc(OC(C)C)c(OC)c1 ZINC000166294805 331306975 /nfs/dbraw/zinc/30/69/75/331306975.db2.gz QMVCWGPJNZWKPF-UHFFFAOYSA-N 0 3 261.365 2.985 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000466385312 331394267 /nfs/dbraw/zinc/39/42/67/331394267.db2.gz CUFYXJMGFLMGNJ-CQSZACIVSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000488500045 332013963 /nfs/dbraw/zinc/01/39/63/332013963.db2.gz OSNIRHNWABLGKR-CABCVRRESA-N 0 3 289.423 2.667 20 30 CFEDHN C=CCn1cccc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000488578279 332018628 /nfs/dbraw/zinc/01/86/28/332018628.db2.gz QMZGRSBKLHZANU-UHFFFAOYSA-N 0 3 289.423 2.668 20 30 CFEDHN C[C@@H]1[C@@H](CO)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000488753746 332024091 /nfs/dbraw/zinc/02/40/91/332024091.db2.gz NNSQZUNWIBTZSB-TZMCWYRMSA-N 0 3 297.320 2.760 20 30 CFEDHN C=CCCCCCN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488806476 332026481 /nfs/dbraw/zinc/02/64/81/332026481.db2.gz ZSMXLSNVGQRXJU-INIZCTEOSA-N 0 3 293.455 2.811 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[C@H](F)C1 ZINC000488877772 332031388 /nfs/dbraw/zinc/03/13/88/332031388.db2.gz IZCRLAJJLQBYOO-KKUMJFAQSA-N 0 3 274.339 2.766 20 30 CFEDHN C=C(CNC(=O)[C@@H]1CCCN1CCC)c1ccccc1 ZINC000488904247 332033124 /nfs/dbraw/zinc/03/31/24/332033124.db2.gz BCLZDOFMRKDDMS-INIZCTEOSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000489063720 332040103 /nfs/dbraw/zinc/04/01/03/332040103.db2.gz AZKYALAASZFBMG-CABCVRRESA-N 0 3 289.423 2.524 20 30 CFEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cc(N)ccc1F ZINC000489476558 332055081 /nfs/dbraw/zinc/05/50/81/332055081.db2.gz NJTNSICOECHZNE-CYBMUJFWSA-N 0 3 291.370 2.777 20 30 CFEDHN CC(C)[C@H](C(=O)NCC(C)(C)CCC#N)N1CCCCC1 ZINC000489882350 332071709 /nfs/dbraw/zinc/07/17/09/332071709.db2.gz HLGAOVHJKSBVQP-OAHLLOKOSA-N 0 3 293.455 2.943 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000490254045 332085501 /nfs/dbraw/zinc/08/55/01/332085501.db2.gz SQKHPONNQRCRIA-XIRDDKMYSA-N 0 3 286.419 2.945 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490986553 332136425 /nfs/dbraw/zinc/13/64/25/332136425.db2.gz UJXTXNXKVMDFHD-XJKSGUPXSA-N 0 3 280.412 2.587 20 30 CFEDHN C#CCNC(=O)CCN[C@H](c1ccccc1Cl)C(C)C ZINC000491066490 332144423 /nfs/dbraw/zinc/14/44/23/332144423.db2.gz COQZHPZILJXFNW-INIZCTEOSA-N 0 3 292.810 2.766 20 30 CFEDHN C#CCN(CCC(=O)N1CCCCC1)Cc1ccccc1 ZINC000491209567 332166138 /nfs/dbraw/zinc/16/61/38/332166138.db2.gz IVQWVVUILAPHIG-UHFFFAOYSA-N 0 3 284.403 2.524 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000172796735 332947472 /nfs/dbraw/zinc/94/74/72/332947472.db2.gz IEMYCYLSVQAFKD-ZDUSSCGKSA-N 0 3 280.412 2.635 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccccc1SC ZINC000491371363 332198900 /nfs/dbraw/zinc/19/89/00/332198900.db2.gz DUDYVFANOAGWOD-LBPRGKRZSA-N 0 3 276.405 2.691 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000491427733 332209757 /nfs/dbraw/zinc/20/97/57/332209757.db2.gz LXSLQGDYZVJCIP-NSHDSACASA-N 0 3 294.782 2.631 20 30 CFEDHN C#CC(C)(C)N(C)CCC(=O)Nc1cccc(F)c1C ZINC000491568270 332239912 /nfs/dbraw/zinc/23/99/12/332239912.db2.gz PYTQTKWPVHOEIK-UHFFFAOYSA-N 0 3 276.355 2.806 20 30 CFEDHN C#C[C@H](NC1CCN(C)CC1)c1ccc(Cl)cc1F ZINC000491663728 332272854 /nfs/dbraw/zinc/27/28/54/332272854.db2.gz HGJYZSQVCWMPQZ-HNNXBMFYSA-N 0 3 280.774 2.837 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491672236 332278871 /nfs/dbraw/zinc/27/88/71/332278871.db2.gz OWIMGOHGGGDXOJ-KBPBESRZSA-N 0 3 280.412 2.587 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC(F)F)c(F)c1 ZINC000491727267 332310440 /nfs/dbraw/zinc/31/04/40/332310440.db2.gz HAOKJCGZJCRYPJ-JTQLQIEISA-N 0 3 257.255 2.929 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000491731022 332312742 /nfs/dbraw/zinc/31/27/42/332312742.db2.gz FTMPYMMCYDTZEY-NSHDSACASA-N 0 3 271.316 2.673 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)C)s1 ZINC000491759913 332331282 /nfs/dbraw/zinc/33/12/82/332331282.db2.gz OLZJSVRQLTWYMW-UHFFFAOYSA-N 0 3 278.421 2.556 20 30 CFEDHN C#C[C@H](N[C@@H](C)Cn1cc(Br)cn1)C(C)(C)C ZINC000491767685 332335570 /nfs/dbraw/zinc/33/55/70/332335570.db2.gz GTFXHDVMBHLBQA-JQWIXIFHSA-N 0 3 298.228 2.672 20 30 CFEDHN C#C[C@@H](NCc1cnc(-c2ccccn2)s1)C(C)C ZINC000491819005 332369220 /nfs/dbraw/zinc/36/92/20/332369220.db2.gz RTBMIYJQAIFJBB-CYBMUJFWSA-N 0 3 271.389 2.953 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C/c2cccc(C)c2)CC1 ZINC000491943295 332376261 /nfs/dbraw/zinc/37/62/61/332376261.db2.gz ZFSPKEKXHSXYRK-CMDGGOBGSA-N 0 3 296.414 2.612 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)COCC)cc1OC ZINC000494212085 332466800 /nfs/dbraw/zinc/46/68/00/332466800.db2.gz KFXZAUCMSOVCPH-ZDUSSCGKSA-N 0 3 279.380 2.775 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000494912268 332490646 /nfs/dbraw/zinc/49/06/46/332490646.db2.gz WQPXDTPUQKOXFN-MRXNPFEDSA-N 0 3 291.439 2.777 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1C[C@@H]1C)C(C)C ZINC000503440541 332689709 /nfs/dbraw/zinc/68/97/09/332689709.db2.gz NIVCDPVJFISULH-HRCADAONSA-N 0 3 293.455 2.640 20 30 CFEDHN C=CCCCCCNCc1cc(C(N)=O)cs1 ZINC000572975309 334896853 /nfs/dbraw/zinc/89/68/53/334896853.db2.gz SNMOQVAAEQCMTK-UHFFFAOYSA-N 0 3 252.383 2.683 20 30 CFEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000174886325 333009947 /nfs/dbraw/zinc/00/99/47/333009947.db2.gz YMQNLMCTGBZAEA-WBVHZDCISA-N 0 3 286.419 2.804 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C)cc2F)CC1 ZINC000176523019 333042887 /nfs/dbraw/zinc/04/28/87/333042887.db2.gz RUHIBRJHVGXNGQ-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN Cc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000178316049 333070936 /nfs/dbraw/zinc/07/09/36/333070936.db2.gz GPZRALBTHHYWHF-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC)C[C@H](C)CC)CC1 ZINC000178669387 333076598 /nfs/dbraw/zinc/07/65/98/333076598.db2.gz LXELTUIXRQWPFF-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(C)COCCNCc1cc(F)cc(OC)c1 ZINC000312291794 333079873 /nfs/dbraw/zinc/07/98/73/333079873.db2.gz YJLJKMBWDKTSAQ-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C[C@H](CCC#N)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978775 333088738 /nfs/dbraw/zinc/08/87/38/333088738.db2.gz IRDBNJUTWUVVBU-TZMCWYRMSA-N 0 3 260.385 2.538 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccnc(OC)c1 ZINC000517104214 333092890 /nfs/dbraw/zinc/09/28/90/333092890.db2.gz FTRGWXSNNGXQTQ-NSHDSACASA-N 0 3 252.383 2.660 20 30 CFEDHN CCN(CC(=O)NC1(C#N)CCCCC1)[C@@H](C)C(C)C ZINC000521482813 333115404 /nfs/dbraw/zinc/11/54/04/333115404.db2.gz PIQGOKRBOLYONK-AWEZNQCLSA-N 0 3 279.428 2.695 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@@H](C)CC(C)(C)C)CC1 ZINC000189477357 333193558 /nfs/dbraw/zinc/19/35/58/333193558.db2.gz GHQNKLRFWMDMTD-OAHLLOKOSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCN1CCC(C(=O)NCc2ccc(C3CC3)cc2)CC1 ZINC000191310217 333218174 /nfs/dbraw/zinc/21/81/74/333218174.db2.gz GHKFQBRWDYTUSD-UHFFFAOYSA-N 0 3 296.414 2.525 20 30 CFEDHN CN1CC[C@@H](C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000522138147 333248490 /nfs/dbraw/zinc/24/84/90/333248490.db2.gz GBRPRSWRGJHQQI-ZBFHGGJFSA-N 0 3 299.418 2.617 20 30 CFEDHN CC[C@@](C)(C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000522205604 333263338 /nfs/dbraw/zinc/26/33/38/333263338.db2.gz IIOXFKUZEREGOD-SFHVURJKSA-N 0 3 299.418 2.707 20 30 CFEDHN CC1(C#N)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000227353726 333281464 /nfs/dbraw/zinc/28/14/64/333281464.db2.gz IRTIWMHGFYWAFS-UHFFFAOYSA-N 0 3 273.336 2.763 20 30 CFEDHN CCC[C@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000522590606 333291916 /nfs/dbraw/zinc/29/19/16/333291916.db2.gz SYZPHNUZISWLJF-QGZVFWFLSA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1nc(-c2ccc(CNC(=O)C(C)C#N)s2)cs1 ZINC000522984990 333303242 /nfs/dbraw/zinc/30/32/42/333303242.db2.gz ZSFBCEAJRADNEX-MRVPVSSYSA-N 0 3 291.401 2.956 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000230313676 333316385 /nfs/dbraw/zinc/31/63/85/333316385.db2.gz MBDCXVYUVIYWED-IRXDYDNUSA-N 0 3 273.376 2.909 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN(CC2CC2)CC1 ZINC000232531182 333338145 /nfs/dbraw/zinc/33/81/45/333338145.db2.gz WMQAYSAEKAHRHE-UHFFFAOYSA-N 0 3 263.429 2.734 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCCC[C@H](SC)C1 ZINC000134592795 334096603 /nfs/dbraw/zinc/09/66/03/334096603.db2.gz SXQMXFCFNGQKSC-CABCVRRESA-N 0 3 296.480 2.793 20 30 CFEDHN C=CCOCCN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000549676104 334201596 /nfs/dbraw/zinc/20/15/96/334201596.db2.gz ZELBVSIXHQLWOU-VYDXJSESSA-N 0 3 279.424 2.859 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001085551960 782096243 /nfs/dbraw/zinc/09/62/43/782096243.db2.gz QFZBZNYWVNPJFG-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN Cn1cc(-c2ccc(CNCC3(CC#N)CC3)s2)cn1 ZINC000554657761 334444895 /nfs/dbraw/zinc/44/48/95/334444895.db2.gz FUQSHDDKEJVVJT-UHFFFAOYSA-N 0 3 286.404 2.932 20 30 CFEDHN COC1(CCN2CCC(C#N)(c3ccccn3)CC2)CCC1 ZINC000555502997 334479751 /nfs/dbraw/zinc/47/97/51/334479751.db2.gz SDDCKFHRLYOEPZ-UHFFFAOYSA-N 0 3 299.418 2.898 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(Br)cn1 ZINC000564783667 334520771 /nfs/dbraw/zinc/52/07/71/334520771.db2.gz RNVHRRMSIGYYJP-MNOVXSKESA-N 0 3 299.212 2.679 20 30 CFEDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000566706192 334661191 /nfs/dbraw/zinc/66/11/91/334661191.db2.gz XYODEIVZGKPYQO-LBPRGKRZSA-N 0 3 268.364 2.645 20 30 CFEDHN N#CCC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000568167918 334799294 /nfs/dbraw/zinc/79/92/94/334799294.db2.gz SDFUFGQCMYKFOP-GOSISDBHSA-N 0 3 299.418 2.517 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568239256 334807422 /nfs/dbraw/zinc/80/74/22/334807422.db2.gz JXDSZVMAVSWMSC-LZWOXQAQSA-N 0 3 288.347 2.905 20 30 CFEDHN Cc1ccc(C)c(OC[C@H](O)CNCC(C)(C)CC#N)c1 ZINC000568991518 334850090 /nfs/dbraw/zinc/85/00/90/334850090.db2.gz OZZKQTDBVIEWGN-OAHLLOKOSA-N 0 3 290.407 2.573 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1CCc2ccccc21 ZINC000569255164 334863932 /nfs/dbraw/zinc/86/39/32/334863932.db2.gz IHOPEXASBSKTNK-UKRRQHHQSA-N 0 3 253.349 2.750 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000576799870 335248949 /nfs/dbraw/zinc/24/89/49/335248949.db2.gz FKDMNRWOEXPPGV-WFASDCNBSA-N 0 3 274.339 2.909 20 30 CFEDHN C=CCOCCCN1CCC=C(c2ccccn2)C1 ZINC000576884142 335260205 /nfs/dbraw/zinc/26/02/05/335260205.db2.gz CBLUBLNRTFBDDP-UHFFFAOYSA-N 0 3 258.365 2.763 20 30 CFEDHN CC(C)(C)CN(CCC#N)C(=O)C1CCN(C2CC2)CC1 ZINC000192522099 335272328 /nfs/dbraw/zinc/27/23/28/335272328.db2.gz HKSYPCFZNSRNLA-UHFFFAOYSA-N 0 3 291.439 2.649 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(CC#N)cc1 ZINC000577239691 335328706 /nfs/dbraw/zinc/32/87/06/335328706.db2.gz PTWBLLMUOWYLEX-KRWDZBQOSA-N 0 3 299.418 2.699 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(C)cc1 ZINC000192945009 335329011 /nfs/dbraw/zinc/32/90/11/335329011.db2.gz ZOOZYLKXWQOMAI-GOEBONIOSA-N 0 3 287.407 2.796 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCOC2(CCCCC2)C1 ZINC000577455340 335354082 /nfs/dbraw/zinc/35/40/82/335354082.db2.gz LVEDEAFIQSFEKW-CABCVRRESA-N 0 3 275.396 2.901 20 30 CFEDHN C[C@@H](CCc1ccc2c(c1)OCO2)NC[C@@H](C#N)CCC#N ZINC000577741613 335395320 /nfs/dbraw/zinc/39/53/20/335395320.db2.gz RXGXJNVDZNKVLQ-DZGCQCFKSA-N 0 3 299.374 2.770 20 30 CFEDHN CC(C)C[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000179722005 335511337 /nfs/dbraw/zinc/51/13/37/335511337.db2.gz MHMGXEYPRGHPOS-AWEZNQCLSA-N 0 3 293.798 2.657 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC1CCN(CC=C)CC1 ZINC000180809028 335625188 /nfs/dbraw/zinc/62/51/88/335625188.db2.gz QJCNMNOMHXHZPR-AWEZNQCLSA-N 0 3 279.428 2.681 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@@H](NCC1(C#N)CC1)CC3 ZINC000578479933 335639185 /nfs/dbraw/zinc/63/91/85/335639185.db2.gz QMLSRYXANIFODP-LBPRGKRZSA-N 0 3 295.386 2.927 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2n1CC ZINC000578593504 335652226 /nfs/dbraw/zinc/65/22/26/335652226.db2.gz DKHSOTMLFSOBEO-ZBFHGGJFSA-N 0 3 285.391 2.879 20 30 CFEDHN COc1ccc(C[C@@H](C)CNC[C@H](C)C#N)cc1F ZINC000185324014 335950798 /nfs/dbraw/zinc/95/07/98/335950798.db2.gz UEXYKAZVOIUOTJ-VXGBXAGGSA-N 0 3 264.344 2.762 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H](C)C2)CC1 ZINC000185383994 335951280 /nfs/dbraw/zinc/95/12/80/335951280.db2.gz BNZYRKLNZMKVEY-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN N#CCC1(CNC[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000581306236 336044261 /nfs/dbraw/zinc/04/42/61/336044261.db2.gz WWGGAIJXKLNYCR-CQSZACIVSA-N 0 3 278.783 2.527 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000382017801 336080236 /nfs/dbraw/zinc/08/02/36/336080236.db2.gz WUUAQTWQFATEQL-ZYHUDNBSSA-N 0 3 288.819 2.974 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000581997633 336187420 /nfs/dbraw/zinc/18/74/20/336187420.db2.gz JTYLQGYQQSZQIZ-LLVKDONJSA-N 0 3 286.162 2.953 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085578770 782104786 /nfs/dbraw/zinc/10/47/86/782104786.db2.gz WNUJSWGIXYPNIT-AWEZNQCLSA-N 0 3 276.380 2.619 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1csnc1C ZINC001085553993 782096915 /nfs/dbraw/zinc/09/69/15/782096915.db2.gz GUNLURSWJLXUFH-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698859 782136070 /nfs/dbraw/zinc/13/60/70/782136070.db2.gz YKTKXXLIODVSHG-HNNXBMFYSA-N 0 3 299.418 2.681 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738650 782147715 /nfs/dbraw/zinc/14/77/15/782147715.db2.gz RMFAFZRLMKRLMB-WCXIOVBPSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740050 782149839 /nfs/dbraw/zinc/14/98/39/782149839.db2.gz GIKVHSUCRKYFQS-VVLHAWIVSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000358324737 500581328 /nfs/dbraw/zinc/58/13/28/500581328.db2.gz XBIUMHKBOQNUHK-QWRGUYRKSA-N 0 3 262.353 2.879 20 30 CFEDHN Cc1cc(CN[C@H]2CC[C@H](C#N)C2)cc(N2CCCC2)n1 ZINC000353609163 533737139 /nfs/dbraw/zinc/73/71/39/533737139.db2.gz ASDKYFTUSFDIRA-HOCLYGCPSA-N 0 3 284.407 2.772 20 30 CFEDHN C#CCN(CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1C ZINC001155011036 782159161 /nfs/dbraw/zinc/15/91/61/782159161.db2.gz DBBHBQHJPRTPRA-CYBMUJFWSA-N 0 3 292.810 2.722 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](CO)C1)c1ccc(C#N)cc1F ZINC000414337214 533985552 /nfs/dbraw/zinc/98/55/52/533985552.db2.gz KTBHIYOJCKYSFL-FPMFFAJLSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@H](CO)C1)c1ccc(C#N)cc1F ZINC000414337216 534000415 /nfs/dbraw/zinc/00/04/15/534000415.db2.gz KTBHIYOJCKYSFL-UBHSHLNASA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)C(C)(C)C ZINC000425530956 534082213 /nfs/dbraw/zinc/08/22/13/534082213.db2.gz GLOFNVSEOOAVBX-SWLSCSKDSA-N 0 3 260.381 2.958 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1noc2c1CCCC2 ZINC000330211562 534224099 /nfs/dbraw/zinc/22/40/99/534224099.db2.gz JHOQNTWHYIYPJI-TXEJJXNPSA-N 0 3 291.395 2.883 20 30 CFEDHN CC(C#N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000335975926 534281676 /nfs/dbraw/zinc/28/16/76/534281676.db2.gz CECCEXLREOLXIX-IAQYHMDHSA-N 0 3 254.333 2.825 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000334760374 534282206 /nfs/dbraw/zinc/28/22/06/534282206.db2.gz CEJKXIGXNCHFMO-MRVPVSSYSA-N 0 3 254.692 2.597 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)s1 ZINC000336177998 534283425 /nfs/dbraw/zinc/28/34/25/534283425.db2.gz NDDAFKADXFGJDQ-RQJHMYQMSA-N 0 3 287.182 2.847 20 30 CFEDHN COC(=O)c1csc([C@H](C)NCC2(CC#N)CC2)c1 ZINC000353586578 534337940 /nfs/dbraw/zinc/33/79/40/534337940.db2.gz DRVWMNMCEAGHNP-JTQLQIEISA-N 0 3 278.377 2.879 20 30 CFEDHN C=C(C)CN1CCC(C(=O)N(C)CCCC)CC1 ZINC000052186230 518604070 /nfs/dbraw/zinc/60/40/70/518604070.db2.gz MFQBLCLIBSLDGM-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCCC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182523255 518696733 /nfs/dbraw/zinc/69/67/33/518696733.db2.gz FRMKBWSZTIDZNY-CQSZACIVSA-N 0 3 260.381 2.589 20 30 CFEDHN CC(C)C[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305804353 519222667 /nfs/dbraw/zinc/22/26/67/519222667.db2.gz FWRKWLUAPGWLAD-AAEUAGOBSA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccccc1C#N ZINC000191645294 519290224 /nfs/dbraw/zinc/29/02/24/519290224.db2.gz KYIXBNCKIVDKNA-QGZVFWFLSA-N 0 3 272.392 2.931 20 30 CFEDHN CC(C)C[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000305804356 519362329 /nfs/dbraw/zinc/36/23/29/519362329.db2.gz FWRKWLUAPGWLAD-DGCLKSJQSA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)C[C@@H](C)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000337215868 519772082 /nfs/dbraw/zinc/77/20/82/519772082.db2.gz YSNVRAQXLKTELA-OAHLLOKOSA-N 0 3 286.423 2.757 20 30 CFEDHN Cc1noc([C@H]2CCCN(Cc3ccc(CC#N)cc3)C2)n1 ZINC000332240798 534479982 /nfs/dbraw/zinc/47/99/82/534479982.db2.gz ADBMOLNVQSLQKG-INIZCTEOSA-N 0 3 296.374 2.824 20 30 CFEDHN CCN(CC1CCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000361481492 520975204 /nfs/dbraw/zinc/97/52/04/520975204.db2.gz NNEVELJWJOYVHC-QGZVFWFLSA-N 0 3 297.402 2.786 20 30 CFEDHN CCN(CCN1CCCCCC1)Cc1nc(C#N)cs1 ZINC000356351578 521045847 /nfs/dbraw/zinc/04/58/47/521045847.db2.gz YPRRRQAKULHSTG-UHFFFAOYSA-N 0 3 292.452 2.713 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1ccc(C#N)c(F)c1 ZINC000361864693 521390056 /nfs/dbraw/zinc/39/00/56/521390056.db2.gz CVSOKEMNUJRFAF-UHFFFAOYSA-N 0 3 292.354 2.909 20 30 CFEDHN CN(C)[C@@H](CNc1ncccc1C#N)c1ccccc1 ZINC000067948900 522033944 /nfs/dbraw/zinc/03/39/44/522033944.db2.gz LBERXLOWNHPUCE-HNNXBMFYSA-N 0 3 266.348 2.668 20 30 CFEDHN CN(C)[C@H](CNc1ncccc1C#N)c1ccccc1 ZINC000067948901 522089960 /nfs/dbraw/zinc/08/99/60/522089960.db2.gz LBERXLOWNHPUCE-OAHLLOKOSA-N 0 3 266.348 2.668 20 30 CFEDHN N#CCCCNCc1cccc(OC(F)(F)F)c1 ZINC000344319941 534613442 /nfs/dbraw/zinc/61/34/42/534613442.db2.gz BZHAVXURUQLESM-UHFFFAOYSA-N 0 3 258.243 2.979 20 30 CFEDHN N#CCCCOc1cccc(CN2CCC[C@H](O)CC2)c1 ZINC000354745479 534614956 /nfs/dbraw/zinc/61/49/56/534614956.db2.gz JTKKCZFJMQWFHH-INIZCTEOSA-N 0 3 288.391 2.716 20 30 CFEDHN C=CCCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000263978052 534615157 /nfs/dbraw/zinc/61/51/57/534615157.db2.gz JRDWXOKTQIWORA-MRXNPFEDSA-N 0 3 274.408 2.934 20 30 CFEDHN C=CCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000263967910 534615251 /nfs/dbraw/zinc/61/52/51/534615251.db2.gz GYDOFRHHIIAHRV-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000263703738 534621615 /nfs/dbraw/zinc/62/16/15/534621615.db2.gz UYJIQTGAWPXCMR-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN COc1cc(CN2C[C@H]3CCCCN3C[C@H]2C)ccc1C#N ZINC000318422142 522406077 /nfs/dbraw/zinc/40/60/77/522406077.db2.gz MQBDRJHWDBRNHN-RHSMWYFYSA-N 0 3 299.418 2.625 20 30 CFEDHN CN(CCC1CCOCC1)Cc1ccc(C#N)c(F)c1 ZINC000192069193 522718343 /nfs/dbraw/zinc/71/83/43/522718343.db2.gz SIQYGJBCBZPXEJ-UHFFFAOYSA-N 0 3 276.355 2.946 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)C1CCCCC1 ZINC000191297290 523210062 /nfs/dbraw/zinc/21/00/62/523210062.db2.gz UCVHINYOPZQIAZ-KRWDZBQOSA-N 0 3 272.392 2.931 20 30 CFEDHN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCCOC1 ZINC000223538132 523296604 /nfs/dbraw/zinc/29/66/04/523296604.db2.gz ZQXZUWCVNCSHKR-LBPRGKRZSA-N 0 3 262.328 2.556 20 30 CFEDHN CN1CC[C@@H](CSc2nc3c(cc2C#N)CCCC3)C1 ZINC000191051428 523961688 /nfs/dbraw/zinc/96/16/88/523961688.db2.gz XOFBIKNBWUNRSH-GFCCVEGCSA-N 0 3 287.432 2.876 20 30 CFEDHN CO[C@H]1CCN(Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000336423522 523995852 /nfs/dbraw/zinc/99/58/52/523995852.db2.gz RIZWOGLPXJINCN-PWSUYJOCSA-N 0 3 250.367 2.619 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000227598682 524013933 /nfs/dbraw/zinc/01/39/33/524013933.db2.gz KAKSTTCXXPOQJH-KGLIPLIRSA-N 0 3 262.328 2.600 20 30 CFEDHN COc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000072948354 524070934 /nfs/dbraw/zinc/07/09/34/524070934.db2.gz GKJDCXRQIJOHGE-UHFFFAOYSA-N 0 3 282.343 2.735 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360068419 524155054 /nfs/dbraw/zinc/15/50/54/524155054.db2.gz IZHIBVXTEHBIFT-UKPHBRMFSA-N 0 3 299.418 2.891 20 30 CFEDHN Cc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000067011052 524573325 /nfs/dbraw/zinc/57/33/25/524573325.db2.gz BZMOUYWNLRHSPT-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN Cc1cc(CN2CCC[C@]3(CCOC3)C2)ccc1C#N ZINC000336224939 524688463 /nfs/dbraw/zinc/68/84/63/524688463.db2.gz OXQYUGOERVCSOK-KRWDZBQOSA-N 0 3 270.376 2.869 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000166721732 525225377 /nfs/dbraw/zinc/22/53/77/525225377.db2.gz NJBDKEWYYGEZQJ-MCIONIFRSA-N 0 3 285.391 2.863 20 30 CFEDHN Cc1nc(C)c(CNC(=O)[C@@H](C2CC2)N2CCCC2)o1 ZINC000329200879 534881502 /nfs/dbraw/zinc/88/15/02/534881502.db2.gz WLIFUSAHHTUPAT-CQSZACIVSA-N 0 3 277.368 2.622 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000353118035 526317951 /nfs/dbraw/zinc/31/79/51/526317951.db2.gz SDPSOFVOFOPGEB-GASCZTMLSA-N 0 3 290.407 2.710 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H](O)Cc1ccccc1 ZINC000352721753 526324956 /nfs/dbraw/zinc/32/49/56/526324956.db2.gz XAQXEIMMXGPULP-QGZVFWFLSA-N 0 3 285.387 2.914 20 30 CFEDHN C=C(C)CCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000351985719 526455933 /nfs/dbraw/zinc/45/59/33/526455933.db2.gz ATAODAGHCXJOJW-ZDUSSCGKSA-N 0 3 256.353 2.884 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)[C@@H]1CCOC(C)(C)C1 ZINC000351933933 526519469 /nfs/dbraw/zinc/51/94/69/526519469.db2.gz FXNMOKSUMUACFJ-OAHLLOKOSA-N 0 3 296.455 2.691 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCc2ccsc2)CC1 ZINC000106039190 526582287 /nfs/dbraw/zinc/58/22/87/526582287.db2.gz BXBWQFVSRSZWKS-UHFFFAOYSA-N 0 3 292.448 2.837 20 30 CFEDHN C=C(C)CN1CCC(NCc2cccnc2Cl)CC1 ZINC000106245051 526605115 /nfs/dbraw/zinc/60/51/15/526605115.db2.gz JSGCQKILULXUAR-UHFFFAOYSA-N 0 3 279.815 2.865 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccnc(C3CC3)n2)CC1 ZINC000110586323 526605560 /nfs/dbraw/zinc/60/55/60/526605560.db2.gz JDOHZTCHYPXJHP-UHFFFAOYSA-N 0 3 272.396 2.806 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1F ZINC000192079002 526616955 /nfs/dbraw/zinc/61/69/55/526616955.db2.gz JZUMLRWQURVAOC-GDBMZVCRSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1cccc(CN2CCC(c3c[nH]cn3)CC2)c1 ZINC000336379753 526704266 /nfs/dbraw/zinc/70/42/66/526704266.db2.gz UAMNLXFCEBOFQF-UHFFFAOYSA-N 0 3 266.348 2.661 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H]1C1CCOCC1 ZINC000336351892 526734904 /nfs/dbraw/zinc/73/49/04/526734904.db2.gz VJTRQRWVFWZLBS-KRWDZBQOSA-N 0 3 270.376 2.949 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000339507135 526737532 /nfs/dbraw/zinc/73/75/32/526737532.db2.gz KIEFABIIJIVYSX-XHSDSOJGSA-N 0 3 268.360 2.605 20 30 CFEDHN C=C(C)[C@@H](CC(=O)NC[C@H]1N(C)CCCC1(C)C)OCC ZINC000344628665 526748839 /nfs/dbraw/zinc/74/88/39/526748839.db2.gz AJPUXKDYSRMZND-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN N#Cc1csc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000334785878 526781637 /nfs/dbraw/zinc/78/16/37/526781637.db2.gz GMQDZMAEKYTQBC-JKSUJKDBSA-N 0 3 290.432 2.993 20 30 CFEDHN C=CCOc1cccc(CNC[C@H](O)Cc2ccccc2)c1 ZINC000105493543 526903216 /nfs/dbraw/zinc/90/32/16/526903216.db2.gz FXOPOPOCEWEAOU-GOSISDBHSA-N 0 3 297.398 2.945 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000108713763 526933825 /nfs/dbraw/zinc/93/38/25/526933825.db2.gz FWWVZUHLHMJMDT-UHFFFAOYSA-N 0 3 270.376 2.587 20 30 CFEDHN C=CC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000334859031 526971297 /nfs/dbraw/zinc/97/12/97/526971297.db2.gz IYPXNPVCPAEGEO-UHFFFAOYSA-N 0 3 285.391 2.762 20 30 CFEDHN C=CC1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000347804483 526980566 /nfs/dbraw/zinc/98/05/66/526980566.db2.gz FRYHTQVYCVLZOY-UHFFFAOYSA-N 0 3 277.364 2.807 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000347624661 527046279 /nfs/dbraw/zinc/04/62/79/527046279.db2.gz NOESBGVUKFYCQM-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000347624667 527047142 /nfs/dbraw/zinc/04/71/42/527047142.db2.gz NOESBGVUKFYCQM-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCCN2C2CC2)CCC1 ZINC000347315295 527054670 /nfs/dbraw/zinc/05/46/70/527054670.db2.gz PORBDHKVBDJDLM-OAHLLOKOSA-N 0 3 276.424 2.866 20 30 CFEDHN Cn1cc(CNCCc2cc3ccccc3o2)cc1C#N ZINC000191156038 527217034 /nfs/dbraw/zinc/21/70/34/527217034.db2.gz HNXNHUBGDASOOV-UHFFFAOYSA-N 0 3 279.343 2.975 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](N)c1ccccc1CC ZINC000418094221 527220256 /nfs/dbraw/zinc/22/02/56/527220256.db2.gz DLNLNFIZQVPCAC-HNNXBMFYSA-N 0 3 275.396 2.514 20 30 CFEDHN C=CCC[C@H](NC1CCC(C(N)=O)CC1)c1ccco1 ZINC000353404832 527482841 /nfs/dbraw/zinc/48/28/41/527482841.db2.gz QOQMMAVBWAINOO-RUXDESIVSA-N 0 3 276.380 2.921 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000352444415 527521370 /nfs/dbraw/zinc/52/13/70/527521370.db2.gz BYSZNZCVEVJTBS-KRWDZBQOSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344643665 527523119 /nfs/dbraw/zinc/52/31/19/527523119.db2.gz NAEXVBOIYZSPSM-BBRMVZONSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000353572603 527595070 /nfs/dbraw/zinc/59/50/70/527595070.db2.gz SQNPCIAAJBMEPF-ZYHUDNBSSA-N 0 3 289.297 2.825 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](CC(C)C)C1 ZINC000345859568 527607772 /nfs/dbraw/zinc/60/77/72/527607772.db2.gz FICRDZYRABTNGI-INIZCTEOSA-N 0 3 278.440 2.945 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](CC)CC(F)(F)F ZINC000354561489 527628561 /nfs/dbraw/zinc/62/85/61/527628561.db2.gz FVWKYRQWEACMTP-VXGBXAGGSA-N 0 3 292.345 2.896 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCSC1)C(C)C ZINC000354804652 527646457 /nfs/dbraw/zinc/64/64/57/527646457.db2.gz PQYSWHNQIKPENG-GJZGRUSLSA-N 0 3 296.480 2.554 20 30 CFEDHN CC(C)CC1(C)CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000344013330 527689014 /nfs/dbraw/zinc/68/90/14/527689014.db2.gz OUYLPFQWIUTCBJ-OAHLLOKOSA-N 0 3 293.455 2.895 20 30 CFEDHN CC(C)CN(Cc1ccccc1F)C(=O)C(C)C#N ZINC000347127071 527949257 /nfs/dbraw/zinc/94/92/57/527949257.db2.gz WZGQZVIIGZPOCJ-LBPRGKRZSA-N 0 3 262.328 2.970 20 30 CFEDHN CCCN(Cc1cnc2ccc(C#N)cn12)CC1CC1 ZINC000154694656 528150523 /nfs/dbraw/zinc/15/05/23/528150523.db2.gz WFWQFVYRAVJWFG-UHFFFAOYSA-N 0 3 268.364 2.828 20 30 CFEDHN CC1CCC(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330196227 528173926 /nfs/dbraw/zinc/17/39/26/528173926.db2.gz PXTNEFIBRDEJSI-JXQTWKCFSA-N 0 3 290.411 2.528 20 30 CFEDHN CCCCN(CCOC)Cc1cc(C#N)ccc1OC ZINC000161251993 528438270 /nfs/dbraw/zinc/43/82/70/528438270.db2.gz VKBCXCKAQHNKBY-UHFFFAOYSA-N 0 3 276.380 2.815 20 30 CFEDHN CCC(CC)CN(CC)CC(=O)N(CC)CCC#N ZINC000353336636 528742917 /nfs/dbraw/zinc/74/29/17/528742917.db2.gz MPAMBLGBQRHGHG-UHFFFAOYSA-N 0 3 267.417 2.507 20 30 CFEDHN CCOc1ccccc1[C@H](CC)NC(=O)C(C)C#N ZINC000347127783 528761382 /nfs/dbraw/zinc/76/13/82/528761382.db2.gz FRGAZVAFVBPXQU-YPMHNXCESA-N 0 3 260.337 2.812 20 30 CFEDHN CCN(Cc1ccccc1Br)C(=O)C(C)C#N ZINC000347076525 528831681 /nfs/dbraw/zinc/83/16/81/528831681.db2.gz SYBZXQMQDNYTRF-JTQLQIEISA-N 0 3 295.180 2.957 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1csc(C)n1 ZINC000329809659 529059524 /nfs/dbraw/zinc/05/95/24/529059524.db2.gz QFWJLIHOVZTZLJ-CMPLNLGQSA-N 0 3 296.440 2.500 20 30 CFEDHN CCN1CCN(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000352664488 529142753 /nfs/dbraw/zinc/14/27/53/529142753.db2.gz BXUVPRDSTLVBLE-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000414328576 529204993 /nfs/dbraw/zinc/20/49/93/529204993.db2.gz AQEXGBFSRFVOJU-IUODEOHRSA-N 0 3 273.380 2.512 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000449773623 536526533 /nfs/dbraw/zinc/52/65/33/536526533.db2.gz IWQOMOLFHFVVIP-AWEZNQCLSA-N 0 3 288.391 2.815 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000449770240 536755839 /nfs/dbraw/zinc/75/58/39/536755839.db2.gz CSCADCNHAFPDJC-CQSZACIVSA-N 0 3 258.365 2.807 20 30 CFEDHN COc1cc(CN2CCC[C@]3(CCOC3)C2)ccc1C#N ZINC000449686754 536758281 /nfs/dbraw/zinc/75/82/81/536758281.db2.gz ZTBFRYIUIAFMGG-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085802842 782169785 /nfs/dbraw/zinc/16/97/85/782169785.db2.gz CTQXDOYWVQCNAG-BFYDXBDKSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085829261 782176912 /nfs/dbraw/zinc/17/69/12/782176912.db2.gz SODVLHWXMWSMTD-OWCLPIDISA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1Cc2ccccc2C1 ZINC001085837977 782178857 /nfs/dbraw/zinc/17/88/57/782178857.db2.gz XFRAAZKUXWVTAM-SFHVURJKSA-N 0 3 298.430 2.510 20 30 CFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744031147 574049875 /nfs/dbraw/zinc/04/98/75/574049875.db2.gz RONAWINWSUTPRV-WTNCMQEWSA-N 0 3 298.342 2.699 20 30 CFEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1 ZINC000753928432 574055624 /nfs/dbraw/zinc/05/56/24/574055624.db2.gz JYTCMFAIPAIEOD-GJZGRUSLSA-N 0 3 270.380 2.661 20 30 CFEDHN CC(Cc1ccccc1C)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753933800 574056027 /nfs/dbraw/zinc/05/60/27/574056027.db2.gz DBUBAXGSBDKXAE-IYBDPMFKSA-N 0 3 284.407 2.773 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1C ZINC000753935165 574056061 /nfs/dbraw/zinc/05/60/61/574056061.db2.gz LQKURKUYVQCBDM-GASCZTMLSA-N 0 3 270.380 2.579 20 30 CFEDHN COc1cccc(N=NC2CN(C(C)C)C[C@@H]2C)c1 ZINC000754257793 574084577 /nfs/dbraw/zinc/08/45/77/574084577.db2.gz IYDDMZHLRYONRD-LBPRGKRZSA-N 0 3 261.369 2.823 20 30 CFEDHN COC(=O)C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000754541796 574101302 /nfs/dbraw/zinc/10/13/02/574101302.db2.gz SAFMYESMRDKAOK-XHDPSFHLSA-N 0 3 272.348 2.551 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(C)s1 ZINC000754670987 574112500 /nfs/dbraw/zinc/11/25/00/574112500.db2.gz CQJYCGLSIUKQFE-CYBMUJFWSA-N 0 3 278.421 2.908 20 30 CFEDHN CCCCCCCCNC(=S)NC1CCN(C)CC1 ZINC000754689570 574114242 /nfs/dbraw/zinc/11/42/42/574114242.db2.gz UGYWVLMGYFCBOV-UHFFFAOYSA-N 0 3 285.501 2.905 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CCCOC[C@H]2C)c1[O-] ZINC000754739899 574117660 /nfs/dbraw/zinc/11/76/60/574117660.db2.gz GLGGXUMZEMJLJM-CYBMUJFWSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CCCOC[C@H]2C)c1[O-] ZINC000754739899 574117662 /nfs/dbraw/zinc/11/76/62/574117662.db2.gz GLGGXUMZEMJLJM-CYBMUJFWSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCc1cc(OC)cc(CN2CCCOC[C@H]2C)c1O ZINC000754739899 574117666 /nfs/dbraw/zinc/11/76/66/574117666.db2.gz GLGGXUMZEMJLJM-CYBMUJFWSA-N 0 3 291.391 2.740 20 30 CFEDHN Cc1ccccc1NC(=S)NN=C1CCN(C)[C@@H](C)C1 ZINC000741457604 574118308 /nfs/dbraw/zinc/11/83/08/574118308.db2.gz NZJOFRROGLLPPM-LBPRGKRZSA-N 0 3 290.436 2.752 20 30 CFEDHN C#CCNC(=O)CN(CCCC)[C@H](C)c1ccccc1 ZINC000746147646 574136959 /nfs/dbraw/zinc/13/69/59/574136959.db2.gz NYPMCEDNYVGZEA-OAHLLOKOSA-N 0 3 272.392 2.599 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000755086438 574137182 /nfs/dbraw/zinc/13/71/82/574137182.db2.gz KYABWLOKJHPYKK-OLZOCXBDSA-N 0 3 293.411 2.573 20 30 CFEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CCCCC1 ZINC000746178882 574138889 /nfs/dbraw/zinc/13/88/89/574138889.db2.gz UVPVAVXGMVQBJI-GASCZTMLSA-N 0 3 276.424 2.654 20 30 CFEDHN C=CC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccncc1 ZINC000746270442 574142031 /nfs/dbraw/zinc/14/20/31/574142031.db2.gz XWMXRRZPWBUHCQ-FMKPAKJESA-N 0 3 287.407 2.688 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ncoc2C(C)C)CC1 ZINC000732078464 574142574 /nfs/dbraw/zinc/14/25/74/574142574.db2.gz GEHQNJRJIPJAFN-UHFFFAOYSA-N 0 3 291.395 2.568 20 30 CFEDHN CC1(C)[C@@H]2CN(Cn3ccc(-c4ccc(C#N)cc4)n3)C[C@@H]21 ZINC000742166720 574143197 /nfs/dbraw/zinc/14/31/97/574143197.db2.gz PHDVXPQBDOTGGL-IYBDPMFKSA-N 0 3 292.386 2.967 20 30 CFEDHN COc1ccc([C@H]2CCCCC2=Nn2cnnc2)cc1F ZINC000732711117 574166771 /nfs/dbraw/zinc/16/67/71/574166771.db2.gz ZNJJESAHHTVLMU-GFCCVEGCSA-N 0 3 288.326 2.988 20 30 CFEDHN CSCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000729070455 574167521 /nfs/dbraw/zinc/16/75/21/574167521.db2.gz VTCQNRKJAIZRSB-VIFPVBQESA-N 0 3 296.779 2.740 20 30 CFEDHN N#CC(C(=O)C=Cc1ccsc1)C(=O)Nc1ccccn1 ZINC000747021104 574175924 /nfs/dbraw/zinc/17/59/24/574175924.db2.gz OZWJISRSJBZCMS-RXNFCKPNSA-N 0 3 297.339 2.504 20 30 CFEDHN C#CCN(C(=O)NCCN(C)CCCC)C1CCCCC1 ZINC000732892199 574177128 /nfs/dbraw/zinc/17/71/28/574177128.db2.gz VJHQRYXFUUXCIJ-UHFFFAOYSA-N 0 3 293.455 2.696 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](CO)c2ccccc2C)cc1 ZINC000747100239 574179901 /nfs/dbraw/zinc/17/99/01/574179901.db2.gz GKSJHSLRDRLOQC-IBGZPJMESA-N 0 3 295.382 2.830 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cnnc2ccccc12 ZINC000755893001 574194653 /nfs/dbraw/zinc/19/46/53/574194653.db2.gz FYSRVBSTRCICSB-LLVKDONJSA-N 0 3 281.363 2.512 20 30 CFEDHN C#CCNC(=O)CN(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531530 574200147 /nfs/dbraw/zinc/20/01/47/574200147.db2.gz BMZWQLFQBKDQPC-CHWSQXEVSA-N 0 3 292.810 2.513 20 30 CFEDHN CN(C)Cc1ccc(C(N)=NOCc2ccccc2)cc1 ZINC000747838653 574215151 /nfs/dbraw/zinc/21/51/51/574215151.db2.gz GEXTWBJJWZHEKQ-UHFFFAOYSA-N 0 3 283.375 2.585 20 30 CFEDHN C=CCC[C@H](C)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000756358177 574228601 /nfs/dbraw/zinc/22/86/01/574228601.db2.gz UHWCTDYSKDPZNG-JTQLQIEISA-N 0 3 268.307 2.848 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2ccccc2F)CC1 ZINC000729977208 574240526 /nfs/dbraw/zinc/24/05/26/574240526.db2.gz OEZSAFVINGTPNV-BQYQJAHWSA-N 0 3 288.366 2.606 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756786041 574262928 /nfs/dbraw/zinc/26/29/28/574262928.db2.gz IGWXFBHLPNWZQS-GVXVVHGQSA-N 0 3 279.355 2.854 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCc2cccc(C)c2)CC1 ZINC000740735437 574264875 /nfs/dbraw/zinc/26/48/75/574264875.db2.gz FTEYSASHGHJHOD-UHFFFAOYSA-N 0 3 298.430 2.532 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000740737598 574265135 /nfs/dbraw/zinc/26/51/35/574265135.db2.gz SLOZVGIQWOGQHK-UHFFFAOYSA-N 0 3 290.794 2.558 20 30 CFEDHN C[C@@H](c1ccccc1)N(CC(=O)NCCC#N)CC1CCC1 ZINC000740888730 574272833 /nfs/dbraw/zinc/27/28/33/574272833.db2.gz OUUIQTXDPSOVGK-HNNXBMFYSA-N 0 3 299.418 2.880 20 30 CFEDHN C#CCOc1ccccc1CNCc1cccc(OC)c1O ZINC000734159183 574277491 /nfs/dbraw/zinc/27/74/91/574277491.db2.gz IRFRSPTZIFAJLD-UHFFFAOYSA-N 0 3 297.354 2.703 20 30 CFEDHN CC1(C)CN(Cc2ccc(OCC#N)cc2)CCCO1 ZINC000735311484 574320478 /nfs/dbraw/zinc/32/04/78/574320478.db2.gz LDSFTEBDKFDWQX-UHFFFAOYSA-N 0 3 274.364 2.590 20 30 CFEDHN C#CCCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000742383314 574326453 /nfs/dbraw/zinc/32/64/53/574326453.db2.gz ZGWVKPPKLPMOMC-UHFFFAOYSA-N 0 3 283.274 2.520 20 30 CFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC000744410057 574335216 /nfs/dbraw/zinc/33/52/16/574335216.db2.gz ODMSNBCKSITSKR-LBPRGKRZSA-N 0 3 299.399 2.957 20 30 CFEDHN C#CCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000742788462 574344220 /nfs/dbraw/zinc/34/42/20/574344220.db2.gz ZPMCXZRTAGUVMD-UHFFFAOYSA-N 0 3 284.403 2.816 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCC1N=Nc1cccnn1 ZINC000735973641 574345737 /nfs/dbraw/zinc/34/57/37/574345737.db2.gz OOSNFBMBAZKMAQ-CQSZACIVSA-N 0 3 295.390 2.787 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000750684487 574351036 /nfs/dbraw/zinc/35/10/36/574351036.db2.gz RIXDJCGJEBKOKO-BDAKNGLRSA-N 0 3 296.779 2.516 20 30 CFEDHN C=CCN(C(=O)NC[C@@H](C)N1CCC(C)CC1)C(C)C ZINC000743334092 574358706 /nfs/dbraw/zinc/35/87/06/574358706.db2.gz LOZGQGOZPWUGJX-OAHLLOKOSA-N 0 3 281.444 2.713 20 30 CFEDHN COc1cccc(CNCC#Cc2ccccc2)c1O ZINC000736355541 574364496 /nfs/dbraw/zinc/36/44/96/574364496.db2.gz QRGPDGUHEKOTNU-UHFFFAOYSA-N 0 3 267.328 2.542 20 30 CFEDHN C=C(Cl)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000743461720 574365584 /nfs/dbraw/zinc/36/55/84/574365584.db2.gz ATPJWXNJQZAZMN-UHFFFAOYSA-N 0 3 292.766 2.977 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC000743493462 574367029 /nfs/dbraw/zinc/36/70/29/574367029.db2.gz UQAUHPTYKKGYBM-OAHLLOKOSA-N 0 3 278.440 2.663 20 30 CFEDHN Cc1ccc(C(Cc2ccccc2)=NNC(=N)N)cc1C ZINC000751127616 574369679 /nfs/dbraw/zinc/36/96/79/574369679.db2.gz PRJZFDGGMBYEGE-UHFFFAOYSA-N 0 3 280.375 2.733 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000900425537 620675291 /nfs/dbraw/zinc/67/52/91/620675291.db2.gz RCRUYYFRXFFFLT-NWDGAFQWSA-N 0 3 290.329 2.580 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819729698 607056509 /nfs/dbraw/zinc/05/65/09/607056509.db2.gz KVLBCBYNKMIOPO-MNOVXSKESA-N 0 3 289.358 2.696 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819729698 607056511 /nfs/dbraw/zinc/05/65/11/607056511.db2.gz KVLBCBYNKMIOPO-MNOVXSKESA-N 0 3 289.358 2.696 20 30 CFEDHN C#CCCC[N@@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841474 608355821 /nfs/dbraw/zinc/35/58/21/608355821.db2.gz NZXFRCBBQSCZNH-CYBMUJFWSA-N 0 3 283.379 2.663 20 30 CFEDHN C#CCCC[N@H+](CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841474 608355822 /nfs/dbraw/zinc/35/58/22/608355822.db2.gz NZXFRCBBQSCZNH-CYBMUJFWSA-N 0 3 283.379 2.663 20 30 CFEDHN C#CCCC[N@@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841474 608355824 /nfs/dbraw/zinc/35/58/24/608355824.db2.gz NZXFRCBBQSCZNH-CYBMUJFWSA-N 0 3 283.379 2.663 20 30 CFEDHN C#CCCC[N@H+](CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841474 608355826 /nfs/dbraw/zinc/35/58/26/608355826.db2.gz NZXFRCBBQSCZNH-CYBMUJFWSA-N 0 3 283.379 2.663 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894590 608461947 /nfs/dbraw/zinc/46/19/47/608461947.db2.gz UNALPDIYKXYLFV-VXGBXAGGSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894590 608461951 /nfs/dbraw/zinc/46/19/51/608461951.db2.gz UNALPDIYKXYLFV-VXGBXAGGSA-N 0 3 271.368 2.872 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC000970158357 612963321 /nfs/dbraw/zinc/96/33/21/612963321.db2.gz NXNZTCMOVFGNAH-IAGOWNOFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000970935953 612994213 /nfs/dbraw/zinc/99/42/13/612994213.db2.gz APCFKPZYLPOBOR-HUUCEWRRSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2c(C)cc(C)cc2C)C1 ZINC000970850199 612997133 /nfs/dbraw/zinc/99/71/33/612997133.db2.gz YOACSDZXIBKMHC-INIZCTEOSA-N 0 3 298.430 2.685 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2cccc(C3CC3)c2)C1 ZINC000970944231 612997960 /nfs/dbraw/zinc/99/79/60/612997960.db2.gz GFKUHRVRCGBLQQ-AWEZNQCLSA-N 0 3 296.414 2.637 20 30 CFEDHN C#CCCN1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000980823096 613002290 /nfs/dbraw/zinc/00/22/90/613002290.db2.gz XVIYFQTXHBQELW-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN C#CCCN1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981103498 613002612 /nfs/dbraw/zinc/00/26/12/613002612.db2.gz CHLTYCQLRDYWBM-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665110 613015242 /nfs/dbraw/zinc/01/52/42/613015242.db2.gz NEVSYBLSXFEJKM-NVXWUHKLSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC000968078765 613024810 /nfs/dbraw/zinc/02/48/10/613024810.db2.gz LOVJRXPIOYCVFU-MAUKXSAKSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873592 613031048 /nfs/dbraw/zinc/03/10/48/613031048.db2.gz VMJGEAPOXOBXRH-OAHLLOKOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977491670 613038260 /nfs/dbraw/zinc/03/82/60/613038260.db2.gz DAUJMBCMSRNXIW-JYJNAYRXSA-N 0 3 290.451 2.663 20 30 CFEDHN C/C=C(/C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971303487 613108765 /nfs/dbraw/zinc/10/87/65/613108765.db2.gz AGIREPOYHXKRDH-ZGKREOHOSA-N 0 3 297.402 2.557 20 30 CFEDHN C/C=C(\C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971305332 613151419 /nfs/dbraw/zinc/15/14/19/613151419.db2.gz OHHHYEPEAYMOKF-XIYYVKAQSA-N 0 3 297.402 2.557 20 30 CFEDHN C/C=C(\C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971303482 613160529 /nfs/dbraw/zinc/16/05/29/613160529.db2.gz AGIREPOYHXKRDH-MYRMFFISSA-N 0 3 297.402 2.557 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC000948646450 613160965 /nfs/dbraw/zinc/16/09/65/613160965.db2.gz AKCCMOBBEUGKKK-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000945336149 613223814 /nfs/dbraw/zinc/22/38/14/613223814.db2.gz RULUXDJSIYWARR-GOEBONIOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCCC2)[C@H](C)C1 ZINC000942433974 613224590 /nfs/dbraw/zinc/22/45/90/613224590.db2.gz WZMYCZPANCOHRQ-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2cnc(C)s2)CC1 ZINC000980814434 613255485 /nfs/dbraw/zinc/25/54/85/613255485.db2.gz LGYHBBDKXKCUDC-UHFFFAOYSA-N 0 3 293.436 2.566 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C[C@@H]1C ZINC000947400585 613256633 /nfs/dbraw/zinc/25/66/33/613256633.db2.gz ZAJNCPVSNOXZCZ-HOCLYGCPSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C[C@H]1C ZINC000947580031 613257028 /nfs/dbraw/zinc/25/70/28/613257028.db2.gz INKLQOKVCVCJSM-ZBFHGGJFSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@@H](C)C1 ZINC000942433975 613257922 /nfs/dbraw/zinc/25/79/22/613257922.db2.gz WZMYCZPANCOHRQ-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)C[C@@H]1C ZINC000947994009 613270299 /nfs/dbraw/zinc/27/02/99/613270299.db2.gz LNAUJLMYEHEYGI-HOCLYGCPSA-N 0 3 284.403 2.519 20 30 CFEDHN C=C(C)CCN1C[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974639729 613277390 /nfs/dbraw/zinc/27/73/90/613277390.db2.gz GGKXIXUQEGVZAT-ZDUSSCGKSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970299677 613298670 /nfs/dbraw/zinc/29/86/70/613298670.db2.gz IBQDJJAZDAJULW-CYBMUJFWSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC000970699893 613299048 /nfs/dbraw/zinc/29/90/48/613299048.db2.gz OOOZXISCMWBOBZ-UKRRQHHQSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000970824108 613299828 /nfs/dbraw/zinc/29/98/28/613299828.db2.gz RTASTIYHMBOUDU-CYBMUJFWSA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)cc(F)c2)C1 ZINC000970474220 613299840 /nfs/dbraw/zinc/29/98/40/613299840.db2.gz WJLCRVGNSCYMCZ-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199193 613301693 /nfs/dbraw/zinc/30/16/93/613301693.db2.gz RIBXVSNGHNSZHB-JONQDZQNSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969697244 613302222 /nfs/dbraw/zinc/30/22/22/613302222.db2.gz RSPSBLOLNITEQY-QSJFSLAZSA-N 0 3 288.435 2.601 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)cc2F)C1 ZINC000970477764 613303020 /nfs/dbraw/zinc/30/30/20/613303020.db2.gz WFGSYKJRJNOYHG-ZDUSSCGKSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC000970462916 613303552 /nfs/dbraw/zinc/30/35/52/613303552.db2.gz WRRPREKTPUVHDX-ZDUSSCGKSA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC000969714234 613303602 /nfs/dbraw/zinc/30/36/02/613303602.db2.gz QCSSNFSFRYEQOL-ZDUSSCGKSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1ncoc1C ZINC000968763670 613306540 /nfs/dbraw/zinc/30/65/40/613306540.db2.gz CQFMAHFWCSLUSK-CQSZACIVSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964718700 613323643 /nfs/dbraw/zinc/32/36/43/613323643.db2.gz VTGFUJRUQIPFOD-ZBFHGGJFSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967923214 613324986 /nfs/dbraw/zinc/32/49/86/613324986.db2.gz XKPQBPBIBIVDDT-UKRRQHHQSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965991109 613332221 /nfs/dbraw/zinc/33/22/21/613332221.db2.gz SGLBDXBHPIRBBW-ZFWWWQNUSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274141 613332788 /nfs/dbraw/zinc/33/27/88/613332788.db2.gz KMBQIIXEJNTKLW-AAEUAGOBSA-N 0 3 295.814 2.684 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000975102401 613338076 /nfs/dbraw/zinc/33/80/76/613338076.db2.gz JQROACAFOZQRHW-ZIAGYGMSSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC000960259947 613350466 /nfs/dbraw/zinc/35/04/66/613350466.db2.gz ZDHWDNOJHQYIKW-BRWVUGGUSA-N 0 3 298.430 2.980 20 30 CFEDHN C=C(C)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C ZINC000960324444 613350575 /nfs/dbraw/zinc/35/05/75/613350575.db2.gz DIVZFSGILWUMFW-HZPDHXFCSA-N 0 3 286.419 2.980 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2CCN(C(=O)CC3CC3)CC[C@@H]2C1 ZINC000946443871 613381509 /nfs/dbraw/zinc/38/15/09/613381509.db2.gz PGDGYADZABMJNV-GASCZTMLSA-N 0 3 296.842 2.709 20 30 CFEDHN C=C1CCC(C(=O)N[C@@H](C)C2CN(CCCF)C2)CC1 ZINC000970377392 613409461 /nfs/dbraw/zinc/40/94/61/613409461.db2.gz QSADGBAINKFCFR-ZDUSSCGKSA-N 0 3 282.403 2.529 20 30 CFEDHN C=C1CCC(C(=O)N[C@@H]2CCN(CC#CC)[C@@H](C)C2)CC1 ZINC000947683752 613410107 /nfs/dbraw/zinc/41/01/07/613410107.db2.gz COPHBLCPOAMJSW-DOTOQJQBSA-N 0 3 288.435 2.725 20 30 CFEDHN C=C1CCC(C(=O)N[C@H](C)C2CN(CCCF)C2)CC1 ZINC000970377391 613411367 /nfs/dbraw/zinc/41/13/67/613411367.db2.gz QSADGBAINKFCFR-CYBMUJFWSA-N 0 3 282.403 2.529 20 30 CFEDHN C=CCCN1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC000981788020 613491714 /nfs/dbraw/zinc/49/17/14/613491714.db2.gz VHPOKVFUYWPTHH-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCCN1CCCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000981697782 613491966 /nfs/dbraw/zinc/49/19/66/613491966.db2.gz VXIYMFJVOZGWJK-UHFFFAOYSA-N 0 3 276.424 2.677 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000981854425 613497337 /nfs/dbraw/zinc/49/73/37/613497337.db2.gz MGSYUTMURZXENA-UHFFFAOYSA-N 0 3 297.402 2.892 20 30 CFEDHN C=Cc1ccc(C(=O)N[C@H]2CCN(CC#CC)[C@@H](C)C2)cc1 ZINC000947734529 613515624 /nfs/dbraw/zinc/51/56/24/613515624.db2.gz AQGOXHOCXWCHIK-YJBOKZPZSA-N 0 3 296.414 2.936 20 30 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/nfs/dbraw/zinc/86/93/65/617869365.db2.gz VQKKHVGBTPRVLH-HNNXBMFYSA-N 0 3 296.455 2.594 20 30 CFEDHN COC(=O)C[C@@H](NCC#Cc1ccc(F)cc1)C(C)(C)C ZINC000934030808 617872206 /nfs/dbraw/zinc/87/22/06/617872206.db2.gz HFAMBLNIHQHWLF-OAHLLOKOSA-N 0 3 291.366 2.745 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001022647573 617972278 /nfs/dbraw/zinc/97/22/78/617972278.db2.gz LLGCUPJBHRQCAW-OKILXGFUSA-N 0 3 282.815 2.722 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2occc2Cl)C1 ZINC001022660097 617976364 /nfs/dbraw/zinc/97/63/64/617976364.db2.gz DZBJIVFKDRLKOZ-DTORHVGOSA-N 0 3 289.162 2.536 20 30 CFEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C)c2)C1 ZINC001021510266 618035682 /nfs/dbraw/zinc/03/56/82/618035682.db2.gz XORGDLNZKMBJFX-MSOLQXFVSA-N 0 3 296.414 2.555 20 30 CFEDHN Cc1cccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000051652004 618035920 /nfs/dbraw/zinc/03/59/20/618035920.db2.gz LBGDBBRZTFJGEP-MRXNPFEDSA-N 0 3 298.386 2.695 20 30 CFEDHN C=CC[C@@H]1CCN1CCOc1ccccc1C(=O)OC 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C[C@@H]1C[C@@H](NN=C2CCCc3cc(N)ccc32)C[C@H](C)O1 ZINC000901303545 620780545 /nfs/dbraw/zinc/78/05/45/620780545.db2.gz OHCJAJCLURIKQN-JJLQDPRZSA-N 0 3 287.407 2.855 20 30 CFEDHN C=CCN1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000246235916 618173132 /nfs/dbraw/zinc/17/31/32/618173132.db2.gz QVJHJEPWZOWWQO-STQMWFEESA-N 0 3 268.401 2.798 20 30 CFEDHN C=CCN1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000246235911 618173188 /nfs/dbraw/zinc/17/31/88/618173188.db2.gz QVJHJEPWZOWWQO-OLZOCXBDSA-N 0 3 268.401 2.798 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2cscc2C)C1 ZINC001023290710 618178315 /nfs/dbraw/zinc/17/83/15/618178315.db2.gz AHSMPIKTVJXHGA-CQSZACIVSA-N 0 3 290.432 2.522 20 30 CFEDHN C#CCC1(NCc2cnc(Cl)cn2)CCCCC1 ZINC000933264693 618179503 /nfs/dbraw/zinc/17/95/03/618179503.db2.gz AFNDXCUMOCYODQ-UHFFFAOYSA-N 0 3 263.772 2.946 20 30 CFEDHN C[C@@H]1CC(NN=Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000901312104 620783507 /nfs/dbraw/zinc/78/35/07/620783507.db2.gz TWBWMAADZNFDPE-CHWSQXEVSA-N 0 3 275.396 2.632 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000091772455 618181465 /nfs/dbraw/zinc/18/14/65/618181465.db2.gz NQMPIPIXIFMSEA-CJNGLKHVSA-N 0 3 274.364 2.588 20 30 CFEDHN C#CCC1(NCc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000933292776 618188791 /nfs/dbraw/zinc/18/87/91/618188791.db2.gz DASSVJXSRSZIOW-UHFFFAOYSA-N 0 3 274.320 2.639 20 30 CFEDHN C#CCC1(N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CCC1 ZINC000933299061 618193371 /nfs/dbraw/zinc/19/33/71/618193371.db2.gz OLMAKVZVVVHXRE-MRXNPFEDSA-N 0 3 282.387 2.636 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccc(OC)cc2)CCC1 ZINC000933301721 618194974 /nfs/dbraw/zinc/19/49/74/618194974.db2.gz RSBUODXKOFQYAU-CYBMUJFWSA-N 0 3 286.375 2.558 20 30 CFEDHN C#CCC1(N[C@H](C)c2ccc(C(=O)OC)o2)CCC1 ZINC000933302093 618195262 /nfs/dbraw/zinc/19/52/62/618195262.db2.gz RUXWRKVUDGDKAF-LLVKDONJSA-N 0 3 261.321 2.663 20 30 CFEDHN C[C@@](CO)(NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000318055678 618198782 /nfs/dbraw/zinc/19/87/82/618198782.db2.gz NJGMJKNIVRFUMD-SFHVURJKSA-N 0 3 296.370 2.586 20 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C#CCCN1CCCC[C@@H]1CNC(=O)c1ccsc1C ZINC001024433197 618315474 /nfs/dbraw/zinc/31/54/74/618315474.db2.gz BBDYCYOGORPKFO-CQSZACIVSA-N 0 3 290.432 2.664 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cnnn1-c1ccccc1 ZINC000925631803 618359694 /nfs/dbraw/zinc/35/96/94/618359694.db2.gz KTJZLCIEPICBCG-AWEZNQCLSA-N 0 3 286.379 2.511 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cnnn1-c1ccccc1 ZINC000925631804 618359819 /nfs/dbraw/zinc/35/98/19/618359819.db2.gz KTJZLCIEPICBCG-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024549196 618363323 /nfs/dbraw/zinc/36/33/23/618363323.db2.gz RKWYRRTXGGPXNE-BZUAXINKSA-N 0 3 290.451 2.663 20 30 CFEDHN OC[C@]1(CNCC#Cc2ccccc2)CCc2ccccc21 ZINC000895140441 618372765 /nfs/dbraw/zinc/37/27/65/618372765.db2.gz FJWLIFNTIRISIL-HXUWFJFHSA-N 0 3 291.394 2.504 20 30 CFEDHN C[C@@H](NCC#Cc1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000895145865 618382680 /nfs/dbraw/zinc/38/26/80/618382680.db2.gz ASQHRFPPZNXIAX-VQIMIIECSA-N 0 3 279.383 2.924 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024612129 618416979 /nfs/dbraw/zinc/41/69/79/618416979.db2.gz LFRBPOXDPUTELC-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCOC1 ZINC000749800043 618417074 /nfs/dbraw/zinc/41/70/74/618417074.db2.gz BXDHSAZZDMEUAY-GFCCVEGCSA-N 0 3 294.782 2.711 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024640699 618429579 /nfs/dbraw/zinc/42/95/79/618429579.db2.gz BPEWRSCPAAFHQS-BZUAXINKSA-N 0 3 278.440 2.969 20 30 CFEDHN CCCCCCC[C@H](C)N[C@H](C)C1N=NC(=O)N1C ZINC000895175177 618432594 /nfs/dbraw/zinc/43/25/94/618432594.db2.gz ICODKNDHLIAPME-NWDGAFQWSA-N 0 3 268.405 2.920 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001024785841 618469013 /nfs/dbraw/zinc/46/90/13/618469013.db2.gz RIFSGGUTKVCDBS-QGZVFWFLSA-N 0 3 298.430 2.911 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000895378995 618557746 /nfs/dbraw/zinc/55/77/46/618557746.db2.gz IEWRNQRXMFQTFZ-UHFFFAOYSA-N 0 3 281.355 2.907 20 30 CFEDHN C#CC1(O)CCN(C/C(C)=C/c2ccccc2COC)CC1 ZINC000895385162 618561829 /nfs/dbraw/zinc/56/18/29/618561829.db2.gz YYUFDELLTNTDFS-DTQAZKPQSA-N 0 3 299.414 2.696 20 30 CFEDHN C#CCCCCCCNCc1cnc(Br)cn1 ZINC000895407150 618571227 /nfs/dbraw/zinc/57/12/27/618571227.db2.gz LSHLEKZOVCQUMD-UHFFFAOYSA-N 0 3 296.212 2.912 20 30 CFEDHN C#C[C@H](NCc1ccc(CC(C)C)nc1)C1CCOCC1 ZINC000895435990 618584748 /nfs/dbraw/zinc/58/47/48/618584748.db2.gz OBDWZLHJRQXBSF-SFHVURJKSA-N 0 3 286.419 2.798 20 30 CFEDHN CC[C@H](C#N)Oc1cccc(CNc2nc(C)cc(N)n2)c1 ZINC000892527786 618609620 /nfs/dbraw/zinc/60/96/20/618609620.db2.gz WSFHWVKQDJYDBZ-CYBMUJFWSA-N 0 3 297.362 2.660 20 30 CFEDHN C[C@@](O)(CNCC#Cc1ccccc1)c1ccsc1 ZINC000893000686 618799322 /nfs/dbraw/zinc/79/93/22/618799322.db2.gz LUVNKGDSKZZDIH-MRXNPFEDSA-N 0 3 271.385 2.597 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001020071765 618799555 /nfs/dbraw/zinc/79/95/55/618799555.db2.gz SPWVLVSFKRSCCZ-HAQNSBGRSA-N 0 3 286.778 2.773 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccco1)NCC#Cc1ccccc1 ZINC000893267926 618918495 /nfs/dbraw/zinc/91/84/95/618918495.db2.gz YHOIXLNQQSLUSG-GDBMZVCRSA-N 0 3 269.344 2.733 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001006669976 618950726 /nfs/dbraw/zinc/95/07/26/618950726.db2.gz WRGYIDPNXCJINJ-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737269 618987462 /nfs/dbraw/zinc/98/74/62/618987462.db2.gz VSOSGQZCMHDBAB-XJKSGUPXSA-N 0 3 261.340 2.521 20 30 CFEDHN C[C@]1(Br)C[C@@H]1CN1CCC(C)(C#N)CC1 ZINC000893471675 619011106 /nfs/dbraw/zinc/01/11/06/619011106.db2.gz TZLRLDFEQDRXQY-PWSUYJOCSA-N 0 3 271.202 2.786 20 30 CFEDHN C=C(CC)CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000909388020 619045970 /nfs/dbraw/zinc/04/59/70/619045970.db2.gz SEXHWQYOMALJLJ-UHFFFAOYSA-N 0 3 271.364 2.987 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2csc(C#N)c2)C1 ZINC000893643335 619139185 /nfs/dbraw/zinc/13/91/85/619139185.db2.gz SZCWSFUTMUYLJI-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNc1cc(N)ncc1Cl ZINC000893660330 619148459 /nfs/dbraw/zinc/14/84/59/619148459.db2.gz XUIQPPCOLUCCBK-ZANVPECISA-N 0 3 267.760 2.710 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000893878087 619234157 /nfs/dbraw/zinc/23/41/57/619234157.db2.gz NWXBGZFJLYQFTO-HUUCEWRRSA-N 0 3 287.407 2.696 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000894218594 619267990 /nfs/dbraw/zinc/26/79/90/619267990.db2.gz HGYALSWSXIOETE-DOMZBBRYSA-N 0 3 265.328 2.602 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1C1CCCC1)C(C)C ZINC000894388012 619363562 /nfs/dbraw/zinc/36/35/62/619363562.db2.gz YXHVNRSUVYWQSB-OAHLLOKOSA-N 0 3 259.397 2.825 20 30 CFEDHN C[C@H]1CN(CCCCC#N)CC[C@H](C(F)(F)F)O1 ZINC000880061372 619382112 /nfs/dbraw/zinc/38/21/12/619382112.db2.gz UDQQHCIOBKLZBY-WDEREUQCSA-N 0 3 264.291 2.722 20 30 CFEDHN C[C@H]1CN(CCCCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880061371 619382188 /nfs/dbraw/zinc/38/21/88/619382188.db2.gz UDQQHCIOBKLZBY-QWRGUYRKSA-N 0 3 264.291 2.722 20 30 CFEDHN C#C[C@@H](C)NCc1cn(CC)nc1-c1ccccc1 ZINC000894737754 619453811 /nfs/dbraw/zinc/45/38/11/619453811.db2.gz GWYIUXSJTALHJR-CYBMUJFWSA-N 0 3 253.349 2.681 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCC)o1 ZINC000894738496 619455145 /nfs/dbraw/zinc/45/51/45/619455145.db2.gz REOAVFAJMSDHST-OLZOCXBDSA-N 0 3 251.326 2.502 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(CC(F)(F)F)s1 ZINC000894770617 619459372 /nfs/dbraw/zinc/45/93/72/619459372.db2.gz WWGHRQRLARVALW-VIFPVBQESA-N 0 3 294.342 2.665 20 30 CFEDHN COC[C@@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000894791743 619465445 /nfs/dbraw/zinc/46/54/45/619465445.db2.gz LANCQAWABXAYFE-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN C[C@@H](CCC#N)CN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894958482 619516666 /nfs/dbraw/zinc/51/66/66/619516666.db2.gz FKKUAJRDDFVUNA-DZGCQCFKSA-N 0 3 283.379 2.766 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H](CCO)CC2)cs1 ZINC000894988843 619523459 /nfs/dbraw/zinc/52/34/59/619523459.db2.gz XKOORVRGMROYKF-LBPRGKRZSA-N 0 3 264.394 2.604 20 30 CFEDHN 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CO[C@@H]1C[C@@H](N[C@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000903017198 621222560 /nfs/dbraw/zinc/22/25/60/621222560.db2.gz LUCQRVCXHBYBCK-KCPJHIHWSA-N 0 3 271.364 2.561 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)NC(C)C)c1cccc(C#N)c1 ZINC000903023082 621233200 /nfs/dbraw/zinc/23/32/00/621233200.db2.gz CXGCEIYOXBGHQF-DOMZBBRYSA-N 0 3 273.380 2.512 20 30 CFEDHN C[C@H](N[C@@H](CO)CC1CCCCC1)c1cc(C#N)ccn1 ZINC000903022304 621233504 /nfs/dbraw/zinc/23/35/04/621233504.db2.gz HCBIUOXBVLTKPE-XJKSGUPXSA-N 0 3 287.407 2.935 20 30 CFEDHN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1cc(C#N)ccn1 ZINC000903054571 621235190 /nfs/dbraw/zinc/23/51/90/621235190.db2.gz MTWBBIKJDIMRNB-BXKDBHETSA-N 0 3 265.307 2.895 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000903055642 621235585 /nfs/dbraw/zinc/23/55/85/621235585.db2.gz CEYZJZYSKNOCJU-GLJUWKHASA-N 0 3 295.386 2.768 20 30 CFEDHN Cc1cccc2c1C[C@H](N[C@@H](C)c1cc(C#N)ccn1)CO2 ZINC000903063791 621238403 /nfs/dbraw/zinc/23/84/03/621238403.db2.gz 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/nfs/dbraw/zinc/25/67/63/621256763.db2.gz HOBYVXBWUGWHMB-ZJUUUORDSA-N 0 3 250.298 2.829 20 30 CFEDHN C[C@H](NC[C@@H]1CC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903094431 621258073 /nfs/dbraw/zinc/25/80/73/621258073.db2.gz NQKAMANYKVMEHW-JSGCOSHPSA-N 0 3 271.364 2.563 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1cccc(C#N)c1 ZINC000903095227 621258692 /nfs/dbraw/zinc/25/86/92/621258692.db2.gz SWPQICPUEHOWQL-IRXDYDNUSA-N 0 3 297.402 2.610 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903126013 621261680 /nfs/dbraw/zinc/26/16/80/621261680.db2.gz QGOFFDKZFXQZLA-AWEZNQCLSA-N 0 3 277.412 2.927 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903179197 621276241 /nfs/dbraw/zinc/27/62/41/621276241.db2.gz NXPNBOHQSFVNSV-VQISRLSMSA-N 0 3 292.335 2.598 20 30 CFEDHN COc1cc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc([N+](=O)[O-])c1 ZINC000903193477 621280799 /nfs/dbraw/zinc/28/07/99/621280799.db2.gz XDVKRBRMOPPMIE-GMXVVIOVSA-N 0 3 289.335 2.946 20 30 CFEDHN C[N@@H+]1CCCC[C@H]1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173083 621541770 /nfs/dbraw/zinc/54/17/70/621541770.db2.gz GIRDXDULPACKTP-HNNXBMFYSA-N 0 3 294.370 2.808 20 30 CFEDHN C[N@H+]1CCCC[C@H]1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173083 621541771 /nfs/dbraw/zinc/54/17/71/621541771.db2.gz GIRDXDULPACKTP-HNNXBMFYSA-N 0 3 294.370 2.808 20 30 CFEDHN CC1(C)[C@H](N)c2ccccc2N1C(=O)C1(C#N)CC2(CC2)C1 ZINC000904937988 621677202 /nfs/dbraw/zinc/67/72/02/621677202.db2.gz FMHUEOITMONQOM-CQSZACIVSA-N 0 3 295.386 2.896 20 30 CFEDHN CN1CC[C@H]1C/N=C/c1c(O)ccc2ccccc21 ZINC000905001902 621680122 /nfs/dbraw/zinc/68/01/22/621680122.db2.gz CWKBKOLQVRLHDK-HNEYUBDGSA-N 0 3 254.333 2.668 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2COC[C@@H]2C)c([O-])c1 ZINC000905003173 621680213 /nfs/dbraw/zinc/68/02/13/621680213.db2.gz OUCMPRVQHFRMEI-DWGCLGNMSA-N 0 3 276.380 2.692 20 30 CFEDHN CCOc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905079697 621690869 /nfs/dbraw/zinc/69/08/69/621690869.db2.gz FEVHUXGAODHYEL-ZDIKFAODSA-N 0 3 269.304 2.518 20 30 CFEDHN CC1/C(=C\c2ccccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905080263 621690902 /nfs/dbraw/zinc/69/09/02/621690902.db2.gz JQTYLLRYCAIULN-GYBQTFJISA-N 0 3 295.342 2.908 20 30 CFEDHN CC(C)Oc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905081195 621691022 /nfs/dbraw/zinc/69/10/22/621691022.db2.gz PSJLIRRXOUKVPN-KSSSLANASA-N 0 3 283.331 2.906 20 30 CFEDHN CCCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905082455 621691507 /nfs/dbraw/zinc/69/15/07/621691507.db2.gz WLVCAUDBHYXHAK-ZECSTPGPSA-N 0 3 283.331 2.908 20 30 CFEDHN CC(C)Oc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905082446 621691564 /nfs/dbraw/zinc/69/15/64/621691564.db2.gz WIVWSINYDHCVTP-KAQJVSAMSA-N 0 3 283.331 2.906 20 30 CFEDHN CCCOc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905081846 621691779 /nfs/dbraw/zinc/69/17/79/621691779.db2.gz TXYLRBFCSJCSHE-RLIURORJSA-N 0 3 283.331 2.908 20 30 CFEDHN CCOc1cc(F)cc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905085473 621692803 /nfs/dbraw/zinc/69/28/03/621692803.db2.gz NJSUYPHKDMGVLC-UWZPUTRXSA-N 0 3 287.294 2.657 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1cscc1Cl ZINC000905458877 621778007 /nfs/dbraw/zinc/77/80/07/621778007.db2.gz YPAIBVRBQJRLCJ-SNVBAGLBSA-N 0 3 272.801 2.792 20 30 CFEDHN Cc1cc(Cl)ccc1N=NC1CCN(CCO)CC1 ZINC000905505633 621783225 /nfs/dbraw/zinc/78/32/25/621783225.db2.gz CIPKCCXSFBNBSE-UHFFFAOYSA-N 0 3 281.787 2.504 20 30 CFEDHN N#CCCNCCNC(c1ccccc1)c1ccccc1 ZINC000905688399 621818836 /nfs/dbraw/zinc/81/88/36/621818836.db2.gz ZAOWZUDXSLOUTM-UHFFFAOYSA-N 0 3 279.387 2.869 20 30 CFEDHN CC[C@](O)(CN[C@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000905906232 621895183 /nfs/dbraw/zinc/89/51/83/621895183.db2.gz RNHKTBMSQVNVBN-MFKMUULPSA-N 0 3 286.297 2.912 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CC(Cc3cccs3)C2)CCC1 ZINC000905966079 621906747 /nfs/dbraw/zinc/90/67/47/621906747.db2.gz QUQFHUFESORYIX-CQSZACIVSA-N 0 3 290.432 2.667 20 30 CFEDHN C#CCCCCCC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000832949954 625540754 /nfs/dbraw/zinc/54/07/54/625540754.db2.gz RVBBCEFEVDVWGV-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCN(CCC#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908342889 622218362 /nfs/dbraw/zinc/21/83/62/622218362.db2.gz MKENTXNQOPOGTI-UHFFFAOYSA-N 0 3 296.374 2.833 20 30 CFEDHN C#CCCCNCc1c(Cl)n(C)nc1C(C)C ZINC000174612278 622302314 /nfs/dbraw/zinc/30/23/14/622302314.db2.gz VJGUXYMWIUSMNE-UHFFFAOYSA-N 0 3 253.777 2.700 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1Cl ZINC000911931173 622590668 /nfs/dbraw/zinc/59/06/68/622590668.db2.gz QCKVYKTYCHBETC-ZDUSSCGKSA-N 0 3 266.772 2.640 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)ccc1C ZINC000911939060 622592748 /nfs/dbraw/zinc/59/27/48/622592748.db2.gz SYMWXCNOEDJNFT-LBPRGKRZSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCCC2 ZINC000911967378 622600558 /nfs/dbraw/zinc/60/05/58/622600558.db2.gz FODQGZBAWBVIMB-SNVBAGLBSA-N 0 3 279.409 2.644 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)Nc1nnc(C)s1 ZINC000911981303 622602248 /nfs/dbraw/zinc/60/22/48/622602248.db2.gz UYVLYOOAWAPXLB-LLVKDONJSA-N 0 3 284.429 2.863 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1nc2ccccc2n1CC ZINC000911983534 622603186 /nfs/dbraw/zinc/60/31/86/622603186.db2.gz PFVMLHDVWOYAOS-LBPRGKRZSA-N 0 3 286.379 2.678 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCCSc1ccccc1 ZINC000912006804 622607062 /nfs/dbraw/zinc/60/70/62/622607062.db2.gz CNABRAPXVNTBKC-HNNXBMFYSA-N 0 3 292.448 2.969 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000912067208 622617013 /nfs/dbraw/zinc/61/70/13/622617013.db2.gz CXQDLXNLYUYSMQ-HNNXBMFYSA-N 0 3 298.390 2.554 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000912162686 622654723 /nfs/dbraw/zinc/65/47/23/622654723.db2.gz KMILBAXHODYCCD-HNNXBMFYSA-N 0 3 288.391 2.658 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccccc1OC(F)F ZINC000912188160 622657683 /nfs/dbraw/zinc/65/76/83/622657683.db2.gz HXVQYRNWWQPLBN-LBPRGKRZSA-N 0 3 298.333 2.588 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000912230872 622666546 /nfs/dbraw/zinc/66/65/46/622666546.db2.gz KADKZXHOVMFYLN-CJNGLKHVSA-N 0 3 290.407 2.898 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)ccc1NC(C)=O ZINC000912264723 622668685 /nfs/dbraw/zinc/66/86/85/622668685.db2.gz IZLOEDHFBGZQSI-ZDUSSCGKSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC000912279892 622673353 /nfs/dbraw/zinc/67/33/53/622673353.db2.gz CDEWSYCJVRNHDM-MJBXVCDLSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000912342177 622690206 /nfs/dbraw/zinc/69/02/06/622690206.db2.gz HTQICUWHZQTXIX-QMTHXVAHSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000912443324 622710927 /nfs/dbraw/zinc/71/09/27/622710927.db2.gz XQYGXCZAHKZYHV-HZPDHXFCSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(CC)s1 ZINC000912473236 622722755 /nfs/dbraw/zinc/72/27/55/622722755.db2.gz LVMXQNQNLBEHQU-ZDUSSCGKSA-N 0 3 266.410 2.610 20 30 CFEDHN CC[C@@H](CC#N)NCC1(CNC(=O)OC(C)(C)C)CCC1 ZINC000820880990 622780805 /nfs/dbraw/zinc/78/08/05/622780805.db2.gz NBOQYBMVSDPVJV-ZDUSSCGKSA-N 0 3 295.427 2.963 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(CC)o3)CCC[C@H]12 ZINC000991415876 622790108 /nfs/dbraw/zinc/79/01/08/622790108.db2.gz LUZWOLUDDUVWJZ-DOTOQJQBSA-N 0 3 288.391 2.755 20 30 CFEDHN C=C(Cl)CN1CCCN(Cc2ccccc2)CC1 ZINC000054992909 622930858 /nfs/dbraw/zinc/93/08/58/622930858.db2.gz XYBFGZFQJOUJDY-UHFFFAOYSA-N 0 3 264.800 2.947 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991498860 622946094 /nfs/dbraw/zinc/94/60/94/622946094.db2.gz CEUVKHHZEKEMSW-CZUORRHYSA-N 0 3 280.387 2.568 20 30 CFEDHN Cc1ccccc1CN1CCCN(C(=O)C#CC(C)C)CC1 ZINC000821822142 622984464 /nfs/dbraw/zinc/98/44/64/622984464.db2.gz LVNAMFLGSZLEPN-UHFFFAOYSA-N 0 3 298.430 2.689 20 30 CFEDHN C=C(C)COCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168845487 623107506 /nfs/dbraw/zinc/10/75/06/623107506.db2.gz PEHFOMPMXSIHKX-LLVKDONJSA-N 0 3 253.317 2.775 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/CCCC(=O)OC)c([O-])c1 ZINC000060804129 623157469 /nfs/dbraw/zinc/15/74/69/623157469.db2.gz DMIXWYHUVPPTSN-SFQUDFHCSA-N 0 3 292.379 2.611 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)CC(C)(C)C ZINC000172269350 623273091 /nfs/dbraw/zinc/27/30/91/623273091.db2.gz USBUYPRWEAMZIK-HNNXBMFYSA-N 0 3 275.392 2.585 20 30 CFEDHN CC(C)[C@@H](CNCC(C)(C)C#N)CNC(=O)OC(C)(C)C ZINC000230950475 623313962 /nfs/dbraw/zinc/31/39/62/623313962.db2.gz MDYVPEDBPKXKNQ-ZDUSSCGKSA-N 0 3 297.443 2.923 20 30 CFEDHN C#CCCCN1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823509192 623337244 /nfs/dbraw/zinc/33/72/44/623337244.db2.gz IOHNGUYHOJUYQF-ZIAGYGMSSA-N 0 3 265.397 2.842 20 30 CFEDHN C#CCN(CCC(=O)OCC)[C@@H]1CCc2ccccc21 ZINC000173218328 623337667 /nfs/dbraw/zinc/33/76/67/623337667.db2.gz PPYGEUFLQDEJDJ-MRXNPFEDSA-N 0 3 271.360 2.562 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@@H]12 ZINC000992119623 623460152 /nfs/dbraw/zinc/46/01/52/623460152.db2.gz OORRVFORBNBURQ-WBVHZDCISA-N 0 3 288.391 2.891 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992124412 623462268 /nfs/dbraw/zinc/46/22/68/623462268.db2.gz ZZJKHZJAKJZQMI-JJRVBVJISA-N 0 3 276.424 2.722 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992190490 623482108 /nfs/dbraw/zinc/48/21/08/623482108.db2.gz OPRGVQSFUNFQEP-XLMAVXFVSA-N 0 3 288.435 2.559 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H](C)C(=O)Nc1ccccc1 ZINC000925391374 623526217 /nfs/dbraw/zinc/52/62/17/623526217.db2.gz XEHIUCRCLFJIBO-OLZOCXBDSA-N 0 3 273.380 2.932 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992425910 623548455 /nfs/dbraw/zinc/54/84/55/623548455.db2.gz RBPZVPYDLMOQKO-IEBWSBKVSA-N 0 3 296.414 2.745 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824861490 623579697 /nfs/dbraw/zinc/57/96/97/623579697.db2.gz MEYXKMWRTBBNLI-OLZOCXBDSA-N 0 3 267.756 2.787 20 30 CFEDHN COC(=O)C1(C#N)CCN(CCC2CCCCC2)CC1 ZINC000824871929 623582623 /nfs/dbraw/zinc/58/26/23/623582623.db2.gz MADBTJLJROWHNC-UHFFFAOYSA-N 0 3 278.396 2.736 20 30 CFEDHN C#CCC1(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CCC1 ZINC000913859194 623621742 /nfs/dbraw/zinc/62/17/42/623621742.db2.gz MLBUDBVTFPBDAY-INIZCTEOSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCC1(NC(=O)[C@@H]2CCCN2C(C)C)CCCC1 ZINC000825436896 623693828 /nfs/dbraw/zinc/69/38/28/623693828.db2.gz FGWRVEQOBHASAF-AWEZNQCLSA-N 0 3 264.413 2.864 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000825878860 623764709 /nfs/dbraw/zinc/76/47/09/623764709.db2.gz VUMFMOAUIKFHOD-LLVKDONJSA-N 0 3 265.740 2.628 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(O[C@H](C)COC)cc1 ZINC000825878587 623764761 /nfs/dbraw/zinc/76/47/61/623764761.db2.gz RYNZAWODLZHGQH-HIFRSBDPSA-N 0 3 261.365 2.602 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2csc3ccccc23)C1 ZINC001015428794 623802687 /nfs/dbraw/zinc/80/26/87/623802687.db2.gz CVGPCWUTJMRAPN-ZDUSSCGKSA-N 0 3 298.411 2.729 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992981478 623828501 /nfs/dbraw/zinc/82/85/01/623828501.db2.gz LEISEDVGJGPFTG-HIFRSBDPSA-N 0 3 292.448 2.836 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992986832 623834537 /nfs/dbraw/zinc/83/45/37/623834537.db2.gz HFYFKBGGDQPMTR-CJNGLKHVSA-N 0 3 290.382 2.985 20 30 CFEDHN C[C@H](CC#N)NN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834965816 623911503 /nfs/dbraw/zinc/91/15/03/623911503.db2.gz WIMKNWMNQAZBEN-FFTKGMCPSA-N 0 3 256.353 2.643 20 30 CFEDHN C[C@H](CC#N)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834965818 623911542 /nfs/dbraw/zinc/91/15/42/623911542.db2.gz WIMKNWMNQAZBEN-IFAYRSHUSA-N 0 3 256.353 2.643 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000827185688 623961732 /nfs/dbraw/zinc/96/17/32/623961732.db2.gz XGHOVBMUYIMIFC-AWEZNQCLSA-N 0 3 286.375 2.756 20 30 CFEDHN CC(=NNC(=N)N)c1ccc(SC2CCCC2)cc1 ZINC000915049272 623975467 /nfs/dbraw/zinc/97/54/67/623975467.db2.gz QCYKFTIETYDXAT-UHFFFAOYSA-N 0 3 276.409 2.928 20 30 CFEDHN C#C[C@@H](NCc1cc(F)cc(Cl)c1)C1CCOCC1 ZINC000827561079 624032547 /nfs/dbraw/zinc/03/25/47/624032547.db2.gz XSMGOWXUXXGJKL-OAHLLOKOSA-N 0 3 281.758 2.997 20 30 CFEDHN C#C[C@@H](NCc1ccccc1OC(C)C)C1CCOCC1 ZINC000827575429 624037362 /nfs/dbraw/zinc/03/73/62/624037362.db2.gz OYLKNKXCYGRNBZ-QGZVFWFLSA-N 0 3 287.403 2.992 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993212427 624038581 /nfs/dbraw/zinc/03/85/81/624038581.db2.gz ZLEMKHRLDYSMLL-HIFRSBDPSA-N 0 3 288.391 2.502 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1cccc(F)c1 ZINC000925423977 624053712 /nfs/dbraw/zinc/05/37/12/624053712.db2.gz SUJZZWOADBBYOG-FZMZJTMJSA-N 0 3 264.344 2.777 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993321461 624094683 /nfs/dbraw/zinc/09/46/83/624094683.db2.gz CRHUIVMZEONDSW-DOMZBBRYSA-N 0 3 290.432 2.663 20 30 CFEDHN C#CCCN(C/C=C\c1ccc(F)c(F)c1)CCOC ZINC000827827115 624103766 /nfs/dbraw/zinc/10/37/66/624103766.db2.gz PIYXQEFSMZAZTQ-WAYWQWQTSA-N 0 3 279.330 2.950 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2c(C)coc2C)[C@@H]1C ZINC000993335480 624115072 /nfs/dbraw/zinc/11/50/72/624115072.db2.gz TYISESCGMUKAMR-ZFWWWQNUSA-N 0 3 288.391 2.502 20 30 CFEDHN C=C(C)[C@H](CO)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000827968757 624141480 /nfs/dbraw/zinc/14/14/80/624141480.db2.gz KJQVJRIHWWIPCP-AEFFLSMTSA-N 0 3 288.435 2.751 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993470083 624145266 /nfs/dbraw/zinc/14/52/66/624145266.db2.gz HCCKARMMWKPZFX-UKRRQHHQSA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC000993491961 624149387 /nfs/dbraw/zinc/14/93/87/624149387.db2.gz WLLPCJAUPADIOU-WBVHZDCISA-N 0 3 286.419 2.774 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993752567 624165197 /nfs/dbraw/zinc/16/51/97/624165197.db2.gz ZGCZDQXNSHPQIQ-UKRRQHHQSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cccnc2C)[C@@H]1C ZINC000993773117 624167915 /nfs/dbraw/zinc/16/79/15/624167915.db2.gz IJHUWWYQTWBTJA-HOCLYGCPSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1C ZINC000993840672 624170729 /nfs/dbraw/zinc/17/07/29/624170729.db2.gz GPCLDQQAAWIDFJ-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccsc2C)[C@@H]1C ZINC000993938690 624174855 /nfs/dbraw/zinc/17/48/55/624174855.db2.gz MMJCJZQFSJOSLS-SWLSCSKDSA-N 0 3 292.448 2.754 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994352850 624278224 /nfs/dbraw/zinc/27/82/24/624278224.db2.gz OHJHHNNNXZVUPA-FUHWJXTLSA-N 0 3 298.430 2.909 20 30 CFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100743 624313180 /nfs/dbraw/zinc/31/31/80/624313180.db2.gz WNCOJZRVZBGGBA-LLVKDONJSA-N 0 3 285.372 2.567 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2CCC(=C)CC2)CC1 ZINC000917142060 624317303 /nfs/dbraw/zinc/31/73/03/624317303.db2.gz NWXKASOERGXQEA-UHFFFAOYSA-N 0 3 291.439 2.682 20 30 CFEDHN C=CCN(Cc1cnc2c(c1)c(C)nn2C)C(C)C ZINC000917168703 624320519 /nfs/dbraw/zinc/32/05/19/624320519.db2.gz XENXBXHPRRWYRW-UHFFFAOYSA-N 0 3 258.369 2.673 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000828889140 624321935 /nfs/dbraw/zinc/32/19/35/624321935.db2.gz RPKLMLQBCZLAHX-NWDGAFQWSA-N 0 3 274.202 2.786 20 30 CFEDHN COC(=O)C1(C#N)CCN(c2ccnc3ccccc32)CC1 ZINC000828970421 624345228 /nfs/dbraw/zinc/34/52/28/624345228.db2.gz XTOJFQJTCHIEDX-UHFFFAOYSA-N 0 3 295.342 2.518 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000829768561 624527782 /nfs/dbraw/zinc/52/77/82/624527782.db2.gz GDMBJODHAZETPF-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000829773607 624528852 /nfs/dbraw/zinc/52/88/52/624528852.db2.gz GTUOXBJMJHDSDL-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000829773320 624529033 /nfs/dbraw/zinc/52/90/33/624529033.db2.gz CWPSRUHHKFEDNL-HOTGVXAUSA-N 0 3 296.414 2.700 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000829773099 624529365 /nfs/dbraw/zinc/52/93/65/624529365.db2.gz AQCRPPDPZSEJPQ-GJZGRUSLSA-N 0 3 276.424 2.559 20 30 CFEDHN CC(C)(O)[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930061353 624534794 /nfs/dbraw/zinc/53/47/94/624534794.db2.gz LIIMDEVFBAPUAN-CQSZACIVSA-N 0 3 278.783 2.947 20 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30 CFEDHN C=CCCCC[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000829952815 624589405 /nfs/dbraw/zinc/58/94/05/624589405.db2.gz QRAVMAGDIPQBOG-GFCCVEGCSA-N 0 3 292.345 2.733 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000830300982 624703389 /nfs/dbraw/zinc/70/33/89/624703389.db2.gz FEFDTDQVSPTXSV-ZBFHGGJFSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000830326288 624708782 /nfs/dbraw/zinc/70/87/82/624708782.db2.gz IZGMXVQROKAMFW-KRWDZBQOSA-N 0 3 282.387 2.527 20 30 CFEDHN C#CC1CCN(C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000830345738 624716271 /nfs/dbraw/zinc/71/62/71/624716271.db2.gz QPJUZQZPPOHUHJ-HNNXBMFYSA-N 0 3 281.758 2.858 20 30 CFEDHN C#CCN(C(=O)N[C@@H](C)C[C@H](C)CC)C1CCN(C)CC1 ZINC000920646844 624745838 /nfs/dbraw/zinc/74/58/38/624745838.db2.gz AUYRAETVJPVJMV-CABCVRRESA-N 0 3 293.455 2.550 20 30 CFEDHN CCCCCCCN1CCN(c2cnn(C)c2)CC1 ZINC000174938800 624913899 /nfs/dbraw/zinc/91/38/99/624913899.db2.gz AYRCEEAJOCVHQJ-UHFFFAOYSA-N 0 3 264.417 2.513 20 30 CFEDHN C[C@@H](N(C)Cc1cc(Cl)ccc1OCC#N)C(C)(C)O ZINC000831009914 624952112 /nfs/dbraw/zinc/95/21/12/624952112.db2.gz KHPSTYDWFOSJCU-LLVKDONJSA-N 0 3 296.798 2.834 20 30 CFEDHN C#Cc1cccc(NC(=O)N(CCC)[C@@H]2CCN(C)C2)c1 ZINC000831177778 624968845 /nfs/dbraw/zinc/96/88/45/624968845.db2.gz CYOWTGHPZWBJEK-MRXNPFEDSA-N 0 3 285.391 2.616 20 30 CFEDHN CCN(C(=O)C#CC(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000832189744 625239949 /nfs/dbraw/zinc/23/99/49/625239949.db2.gz IVSQQFAVGJXZCM-GOSISDBHSA-N 0 3 298.430 2.769 20 30 CFEDHN CO[C@@H](C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000069952362 625250052 /nfs/dbraw/zinc/25/00/52/625250052.db2.gz YBIQQNIYCMNOFT-XJKSGUPXSA-N 0 3 266.300 2.646 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000834886766 625909814 /nfs/dbraw/zinc/90/98/14/625909814.db2.gz BOSHMPYUJHOGGY-XYPHTWIQSA-N 0 3 283.375 2.866 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000834888711 625910278 /nfs/dbraw/zinc/91/02/78/625910278.db2.gz PCGXUOYRUDFTPI-IUPBHXKESA-N 0 3 251.301 2.525 20 30 CFEDHN C#Cc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000834904569 625917535 /nfs/dbraw/zinc/91/75/35/625917535.db2.gz ZCUXWIQFAHOVQK-OAHLLOKOSA-N 0 3 251.333 2.558 20 30 CFEDHN C[C@H](C#N)CNN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834965785 625936189 /nfs/dbraw/zinc/93/61/89/625936189.db2.gz VESSCYORIJYLMH-VKRNYNGWSA-N 0 3 256.353 2.501 20 30 CFEDHN CCC1(CC)[C@H](NC[C@H](C#N)CCC#N)[C@H](C)[C@@H]1OC ZINC000770623982 625944518 /nfs/dbraw/zinc/94/45/18/625944518.db2.gz RTWGSPUZDSZYJR-XQLPTFJDSA-N 0 3 277.412 2.859 20 30 CFEDHN COc1ccc(OCCNCc2csc(C#N)c2)cc1 ZINC000921513249 625963257 /nfs/dbraw/zinc/96/32/57/625963257.db2.gz RBJQUMAOOWXPFW-UHFFFAOYSA-N 0 3 288.372 2.797 20 30 CFEDHN COc1cc(CNCc2c(C)cc(C#N)cc2C)ccn1 ZINC000921517811 625967541 /nfs/dbraw/zinc/96/75/41/625967541.db2.gz GZAYEIRPMSQSSF-UHFFFAOYSA-N 0 3 281.359 2.869 20 30 CFEDHN COc1ccc(CNCc2c(C)cc(C#N)cc2C)cn1 ZINC000921519378 625968408 /nfs/dbraw/zinc/96/84/08/625968408.db2.gz GMMBXJHZTFEVTB-UHFFFAOYSA-N 0 3 281.359 2.869 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N[C@@H](C#N)C2CCCC2)c1 ZINC000921544403 625981611 /nfs/dbraw/zinc/98/16/11/625981611.db2.gz RHSMWRCTDIBTFS-INIZCTEOSA-N 0 3 285.391 2.560 20 30 CFEDHN N#Cc1cc(CN[C@@H]2COc3ccccc3C2)cs1 ZINC000921612904 625993933 /nfs/dbraw/zinc/99/39/33/625993933.db2.gz OAHHZTNAAJMSNZ-ZDUSSCGKSA-N 0 3 270.357 2.713 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)cc2)CC1 ZINC000997401772 625994712 /nfs/dbraw/zinc/99/47/12/625994712.db2.gz HMDBJFBYDQXBDT-MRXNPFEDSA-N 0 3 298.430 2.849 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(CC)cc2)CC1 ZINC000997414118 625994946 /nfs/dbraw/zinc/99/49/46/625994946.db2.gz VWJHYQLONHITLD-OAHLLOKOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000997411458 625995134 /nfs/dbraw/zinc/99/51/34/625995134.db2.gz CEZLVTVYDCFQJH-MRXNPFEDSA-N 0 3 298.430 2.767 20 30 CFEDHN C=CCN[C@H]1CN(C(=O)C=C(C)C)CC[C@@H]1C(F)(F)F ZINC000998227487 626036689 /nfs/dbraw/zinc/03/66/89/626036689.db2.gz SSXKXHSNTONMKX-RYUDHWBXSA-N 0 3 290.329 2.508 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccoc2CC)C1 ZINC000998693749 626059632 /nfs/dbraw/zinc/05/96/32/626059632.db2.gz GSBXPUZNNRIUIE-UHFFFAOYSA-N 0 3 296.798 2.787 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2(F)CCCC2)C1 ZINC000999016108 626064929 /nfs/dbraw/zinc/06/49/29/626064929.db2.gz PXQCIARNDLYHJQ-UHFFFAOYSA-N 0 3 288.794 2.600 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC000999480566 626074448 /nfs/dbraw/zinc/07/44/48/626074448.db2.gz CURFTTFISLCFNS-BPCQOVAHSA-N 0 3 282.815 2.508 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)[nH]c2C)C1 ZINC000999476774 626074564 /nfs/dbraw/zinc/07/45/64/626074564.db2.gz IUXKMOBNOOONIO-UHFFFAOYSA-N 0 3 295.814 2.577 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016161633 626079630 /nfs/dbraw/zinc/07/96/30/626079630.db2.gz XMAMYBGRAMKOHU-INIZCTEOSA-N 0 3 292.382 2.667 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC[C@H](NCc3cccnc3)C2)C1 ZINC001000127072 626089509 /nfs/dbraw/zinc/08/95/09/626089509.db2.gz AUFNQKQESBNRAS-INIZCTEOSA-N 0 3 299.418 2.519 20 30 CFEDHN C[C@@H](NCc1csc(C#N)c1)[C@H](O)c1ccc(F)cc1 ZINC000921750473 626105807 /nfs/dbraw/zinc/10/58/07/626105807.db2.gz RIQUAMRBQLMPGA-BMIGLBTASA-N 0 3 290.363 2.971 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC001000385039 626113706 /nfs/dbraw/zinc/11/37/06/626113706.db2.gz QRGOKBVIQNQWJQ-UHFFFAOYSA-N 0 3 262.397 2.501 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccnc2C2CC2)CC1 ZINC001000906068 626135271 /nfs/dbraw/zinc/13/52/71/626135271.db2.gz LVVUTCDUUCRFHT-UHFFFAOYSA-N 0 3 297.402 2.507 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(Cl)s2)CC1 ZINC001001427494 626157570 /nfs/dbraw/zinc/15/75/70/626157570.db2.gz OTMLUJBFOUUMSM-UHFFFAOYSA-N 0 3 296.823 2.949 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001001485930 626159712 /nfs/dbraw/zinc/15/97/12/626159712.db2.gz IKGBUMUFAHYPCJ-GJZGRUSLSA-N 0 3 290.451 2.993 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001001744105 626162817 /nfs/dbraw/zinc/16/28/17/626162817.db2.gz VVMKVAHQPYMUHY-MRXNPFEDSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001001771490 626163392 /nfs/dbraw/zinc/16/33/92/626163392.db2.gz AZQAGTIWRRHRFW-RDJZCZTQSA-N 0 3 290.451 2.664 20 30 CFEDHN CC[C@@H](O)CCNCc1cc(C#N)ccc1Br ZINC000921851160 626165523 /nfs/dbraw/zinc/16/55/23/626165523.db2.gz KAZBGBXFNIALDV-GFCCVEGCSA-N 0 3 297.196 2.571 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001997395 626166472 /nfs/dbraw/zinc/16/64/72/626166472.db2.gz SISULMNTIVCHGY-WMZOPIPTSA-N 0 3 290.451 2.520 20 30 CFEDHN N#CCC[C@H](NCc1cc[nH]c(=O)c1)c1ccccc1 ZINC000921920576 626178624 /nfs/dbraw/zinc/17/86/24/626178624.db2.gz BAEXDGIWQVVIGR-HNNXBMFYSA-N 0 3 267.332 2.922 20 30 CFEDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1csc(C#N)c1 ZINC000922010136 626195913 /nfs/dbraw/zinc/19/59/13/626195913.db2.gz QPJLQAMMKRINGJ-SNVBAGLBSA-N 0 3 295.408 2.623 20 30 CFEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C2CCCC2)n1 ZINC000922198658 626238059 /nfs/dbraw/zinc/23/80/59/626238059.db2.gz SRWRGTQXQKBIQB-SWLSCSKDSA-N 0 3 272.396 2.860 20 30 CFEDHN CC(C)CC[C@@H](CO)NCc1csc(C#N)c1 ZINC000922284541 626259057 /nfs/dbraw/zinc/25/90/57/626259057.db2.gz QSWUYTQMVYNGKB-LBPRGKRZSA-N 0 3 252.383 2.506 20 30 CFEDHN Cc1cc(CO)cc(C)c1CNCc1ccc(C#N)cc1 ZINC000922561410 626308770 /nfs/dbraw/zinc/30/87/70/626308770.db2.gz SWTDUAOUDOXHLH-UHFFFAOYSA-N 0 3 280.371 2.957 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2C)CC1 ZINC001005055105 626407792 /nfs/dbraw/zinc/40/77/92/626407792.db2.gz CUTXQIOLSIJERP-UHFFFAOYSA-N 0 3 272.392 2.717 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cnc(C)s2)CC1 ZINC001005162755 626412416 /nfs/dbraw/zinc/41/24/16/626412416.db2.gz NIIOOBMPFIXGOX-UHFFFAOYSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2[nH]ccc2C2CC2)CC1 ZINC001005488565 626415587 /nfs/dbraw/zinc/41/55/87/626415587.db2.gz KKUAIJNLGXNPPW-UHFFFAOYSA-N 0 3 287.407 2.615 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2nc(Cl)cs2)CC1 ZINC001005885645 626445831 /nfs/dbraw/zinc/44/58/31/626445831.db2.gz YQRAECRTECHOKB-UHFFFAOYSA-N 0 3 299.827 2.519 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001005900654 626448854 /nfs/dbraw/zinc/44/88/54/626448854.db2.gz HRBKWELTWJWWPS-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(Cl)CN1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923541331 626479323 /nfs/dbraw/zinc/47/93/23/626479323.db2.gz RMDILRXXKLKQHG-KBPBESRZSA-N 0 3 292.810 2.721 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001006216513 626480503 /nfs/dbraw/zinc/48/05/03/626480503.db2.gz AZCTXINSGMYBHE-HOCLYGCPSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)c(CC)o2)CC1 ZINC001006283090 626482028 /nfs/dbraw/zinc/48/20/28/626482028.db2.gz INFLOWRCDMIQTK-UHFFFAOYSA-N 0 3 290.407 2.873 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C(C)C)c1 ZINC000838624302 626502107 /nfs/dbraw/zinc/50/21/07/626502107.db2.gz QPAXUTKHEUKWKV-UHFFFAOYSA-N 0 3 287.407 2.887 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cc(C)cc1C ZINC000838624137 626502149 /nfs/dbraw/zinc/50/21/49/626502149.db2.gz IXLGRVZLXSQAOY-UHFFFAOYSA-N 0 3 287.407 2.688 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CCC1 ZINC000838866334 626511970 /nfs/dbraw/zinc/51/19/70/626511970.db2.gz OBIPQDUFAFKRDU-CZUORRHYSA-N 0 3 298.386 2.790 20 30 CFEDHN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NCCC#N ZINC000839062840 626522603 /nfs/dbraw/zinc/52/26/03/626522603.db2.gz GPRYFBLPAGDKCD-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN CN(C)Cc1cccc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000839065308 626522763 /nfs/dbraw/zinc/52/27/63/626522763.db2.gz ZVXDSXOBMFVSFV-XJKSGUPXSA-N 0 3 286.375 2.987 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000839141197 626528492 /nfs/dbraw/zinc/52/84/92/626528492.db2.gz LVEMJLARSPPFGL-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839203166 626532201 /nfs/dbraw/zinc/53/22/01/626532201.db2.gz VZODKIRFVTZLNY-AWEZNQCLSA-N 0 3 296.798 2.515 20 30 CFEDHN CC[C@@H]1CN(CCCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757103466 626545062 /nfs/dbraw/zinc/54/50/62/626545062.db2.gz CVIOCLNGVDFZAK-KGLIPLIRSA-N 0 3 295.427 2.915 20 30 CFEDHN CC[C@@H](C)NN=Cc1ccc(N(C)CCC#N)cc1 ZINC000790189515 626547092 /nfs/dbraw/zinc/54/70/92/626547092.db2.gz JSYVIFXIUWUUIA-CYBMUJFWSA-N 0 3 258.369 2.758 20 30 CFEDHN C#CC[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1 ZINC000757618039 626556468 /nfs/dbraw/zinc/55/64/68/626556468.db2.gz PIAJKGMIFLQBSN-INMHGKMJSA-N 0 3 284.403 2.740 20 30 CFEDHN C=CCOCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757638787 626556962 /nfs/dbraw/zinc/55/69/62/626556962.db2.gz OBICMBMDKBOXAD-CMPLNLGQSA-N 0 3 265.328 2.872 20 30 CFEDHN CCCCCCCC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000760210723 626720358 /nfs/dbraw/zinc/72/03/58/626720358.db2.gz ZPMGNRHNQVYIEA-ZIAGYGMSSA-N 0 3 286.485 2.851 20 30 CFEDHN Cc1cc(C)c(OCC(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000760341043 626736652 /nfs/dbraw/zinc/73/66/52/626736652.db2.gz QGSHRGQSAPSVHB-CQSZACIVSA-N 0 3 295.342 2.657 20 30 CFEDHN CC(C)c1ccc(OCC(=O)C(C#N)c2ccncn2)cc1 ZINC000760358498 626740104 /nfs/dbraw/zinc/74/01/04/626740104.db2.gz POTFYSSRVGKKPZ-OAHLLOKOSA-N 0 3 295.342 2.855 20 30 CFEDHN C#CCOCCN1CCCC[C@@H]1c1ccccc1OC ZINC000851761466 634514294 /nfs/dbraw/zinc/51/42/94/634514294.db2.gz QJMCOFTXHQEYPF-MRXNPFEDSA-N 0 3 273.376 2.872 20 30 CFEDHN COc1ccc(CN[C@@H](C)c2ccc[nH]2)cc1C#N ZINC000760446368 626746989 /nfs/dbraw/zinc/74/69/89/626746989.db2.gz SQVUXGSVYJGBID-NSHDSACASA-N 0 3 255.321 2.746 20 30 CFEDHN C=CCCCCCCNC(=O)C1(N(C)C)CCC1 ZINC000805218297 626796551 /nfs/dbraw/zinc/79/65/51/626796551.db2.gz VMUBBZWMOHSRKB-UHFFFAOYSA-N 0 3 252.402 2.723 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(OC(F)F)cc2)CN1C ZINC000761813190 626860265 /nfs/dbraw/zinc/86/02/65/626860265.db2.gz UUDPDUONSOLCID-SECBINFHSA-N 0 3 269.295 2.780 20 30 CFEDHN C=C(C)COCCNCc1cnc(Cl)c(C)c1 ZINC000761987600 626877188 /nfs/dbraw/zinc/87/71/88/626877188.db2.gz XGGHDULQSPWYFW-UHFFFAOYSA-N 0 3 254.761 2.726 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCSC3)nc21 ZINC000762088983 626888916 /nfs/dbraw/zinc/88/89/16/626888916.db2.gz VAXBPPNELSDQOC-MNOVXSKESA-N 0 3 285.372 2.801 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3CCSC3)nc21 ZINC000762088985 626889269 /nfs/dbraw/zinc/88/92/69/626889269.db2.gz VAXBPPNELSDQOC-QWRGUYRKSA-N 0 3 285.372 2.801 20 30 CFEDHN C=CCCCCCN(C)C(=O)C1(N(C)C)CCC1 ZINC000763055846 626960358 /nfs/dbraw/zinc/96/03/58/626960358.db2.gz QYQQOULXGGPCIC-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccco1)NCc1ccc(C#N)cc1F ZINC000763525198 626995180 /nfs/dbraw/zinc/99/51/80/626995180.db2.gz UGCYTYHKYMCMDI-IAQYHMDHSA-N 0 3 288.322 2.892 20 30 CFEDHN C#CCOCCN1CCC(=Cc2cccc(OC)c2)CC1 ZINC000851811204 634544310 /nfs/dbraw/zinc/54/43/10/634544310.db2.gz SXPYKGFPMUYYFY-UHFFFAOYSA-N 0 3 285.387 2.824 20 30 CFEDHN CC(CCc1ccc(Cl)s1)=Nn1cnnc1 ZINC000764640548 627079595 /nfs/dbraw/zinc/07/95/95/627079595.db2.gz MDKHGOFPYZQUPI-UHFFFAOYSA-N 0 3 254.746 2.850 20 30 CFEDHN C#CCCCN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000766895069 627224995 /nfs/dbraw/zinc/22/49/95/627224995.db2.gz ITFZTFWMUNMMRI-UHFFFAOYSA-N 0 3 286.419 2.535 20 30 CFEDHN N#Cc1ccc(CN(CCC(=O)C2CC2)C2CC2)cc1 ZINC000767350727 627244644 /nfs/dbraw/zinc/24/46/44/627244644.db2.gz OWBAUQDTWJNOLJ-UHFFFAOYSA-N 0 3 268.360 2.892 20 30 CFEDHN Cc1oc2ccccc2c1CC(=O)C(C#N)C(=O)NC(C)C ZINC000767960371 627297902 /nfs/dbraw/zinc/29/79/02/627297902.db2.gz QBOZZMYMIXSNEA-AWEZNQCLSA-N 0 3 298.342 2.517 20 30 CFEDHN N#Cc1ccc(CN2CCCN(Cc3ccoc3)CC2)cc1 ZINC000768220420 627326768 /nfs/dbraw/zinc/32/67/68/627326768.db2.gz OMSWECOBIGINEX-UHFFFAOYSA-N 0 3 295.386 2.859 20 30 CFEDHN C#CCOCCN1CC=C(c2cccc(C)c2)CC1 ZINC000851890102 634573083 /nfs/dbraw/zinc/57/30/83/634573083.db2.gz TZQJJTZXKBANQU-UHFFFAOYSA-N 0 3 255.361 2.734 20 30 CFEDHN C=CC[C@H]1N(CCS(=O)(=O)C(C)C)CCCC1(C)C ZINC000769952922 627490892 /nfs/dbraw/zinc/49/08/92/627490892.db2.gz GYTNISAAKWHBDQ-CQSZACIVSA-N 0 3 287.469 2.876 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(I)cc1 ZINC000769961043 627491939 /nfs/dbraw/zinc/49/19/39/627491939.db2.gz MPNKHIBLFHXWGV-SNVBAGLBSA-N 0 3 299.155 2.745 20 30 CFEDHN C#C[C@H](C)N(C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000769975983 627494183 /nfs/dbraw/zinc/49/41/83/627494183.db2.gz RRJCYXLSQUGGFN-LBPRGKRZSA-N 0 3 293.794 2.997 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(F)c(F)c1)C1CC1 ZINC000772381909 627706744 /nfs/dbraw/zinc/70/67/44/627706744.db2.gz OGYBIHUDJSBWNF-CQSZACIVSA-N 0 3 253.292 2.649 20 30 CFEDHN C#C[C@@H](NCCSc1cccc(OC)c1)[C@H]1CCCO1 ZINC000851949730 634604152 /nfs/dbraw/zinc/60/41/52/634604152.db2.gz IIHWEVOJBRZCGP-HZPDHXFCSA-N 0 3 291.416 2.558 20 30 CFEDHN C#CCCCCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000773230552 627797466 /nfs/dbraw/zinc/79/74/66/627797466.db2.gz BOKURPLLCIUXDE-UHFFFAOYSA-N 0 3 288.391 2.889 20 30 CFEDHN C#C[C@@H](NCCSc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000851949281 634604423 /nfs/dbraw/zinc/60/44/23/634604423.db2.gz CEHZFDFTIUVDFV-KGLIPLIRSA-N 0 3 297.370 2.827 20 30 CFEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000774200566 627902318 /nfs/dbraw/zinc/90/23/18/627902318.db2.gz CTNNWXAXVLDGPA-IOASZLSFSA-N 0 3 270.380 2.834 20 30 CFEDHN C#CCNC(=O)CN[C@@H](c1cccs1)C(CC)CC ZINC000775209398 628000047 /nfs/dbraw/zinc/00/00/47/628000047.db2.gz AVRUPGAPCHPBHC-OAHLLOKOSA-N 0 3 278.421 2.564 20 30 CFEDHN C#C[C@H]([NH2+][C@@H](CC)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000775572400 628040367 /nfs/dbraw/zinc/04/03/67/628040367.db2.gz RRDOJTJTPADFCL-DZKIICNBSA-N 0 3 259.349 2.614 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000775574033 628041219 /nfs/dbraw/zinc/04/12/19/628041219.db2.gz NISGJHALMBVGQW-JQFCIGGWSA-N 0 3 272.392 2.584 20 30 CFEDHN C#C[C@H](NCCSc1ccccc1F)[C@@H]1CCCO1 ZINC000775787911 628068011 /nfs/dbraw/zinc/06/80/11/628068011.db2.gz BRUVYAVKJMUTLP-KBPBESRZSA-N 0 3 279.380 2.688 20 30 CFEDHN C#CCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000775835810 628074036 /nfs/dbraw/zinc/07/40/36/628074036.db2.gz ARPLTNKUNSLMBO-ZNMIVQPWSA-N 0 3 277.408 2.985 20 30 CFEDHN CCc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000776159626 628108452 /nfs/dbraw/zinc/10/84/52/628108452.db2.gz YIGDRRVQNGKLEL-LBPRGKRZSA-N 0 3 284.363 2.725 20 30 CFEDHN C[C@@H](C1CC1)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000777400736 628222069 /nfs/dbraw/zinc/22/20/69/628222069.db2.gz CRLGQRJIXXVBPB-YOEHRIQHSA-N 0 3 269.392 2.667 20 30 CFEDHN N#Cc1ccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777439204 628226007 /nfs/dbraw/zinc/22/60/07/628226007.db2.gz WTVUWELQAMYVFP-GOSISDBHSA-N 0 3 296.345 2.791 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H](CC)CCO ZINC000778176730 628284200 /nfs/dbraw/zinc/28/42/00/628284200.db2.gz LUSCCCLCBOMCAL-ZDUSSCGKSA-N 0 3 295.810 2.850 20 30 CFEDHN C#CCOCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000852076705 634643995 /nfs/dbraw/zinc/64/39/95/634643995.db2.gz YOCKYMCIODNTST-MOPGFXCFSA-N 0 3 295.382 2.701 20 30 CFEDHN COCC1(C(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000779194483 628358737 /nfs/dbraw/zinc/35/87/37/628358737.db2.gz MWZRQXACIVZDCA-JTQLQIEISA-N 0 3 286.356 2.899 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000852097941 634652008 /nfs/dbraw/zinc/65/20/08/634652008.db2.gz ARSXXAZRSZUYNX-LRDDRELGSA-N 0 3 292.810 2.736 20 30 CFEDHN C#CCCCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000779742222 628398772 /nfs/dbraw/zinc/39/87/72/628398772.db2.gz MEYJKAIHISYDHA-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN C#C[C@](C)(CC)NCc1cnc2c(cnn2C(C)C)c1 ZINC000852099462 634653021 /nfs/dbraw/zinc/65/30/21/634653021.db2.gz MQCSLZPNEAAVIP-MRXNPFEDSA-N 0 3 270.380 2.904 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000852098845 634653037 /nfs/dbraw/zinc/65/30/37/634653037.db2.gz XPXFNKOBNIKNMK-IEBWSBKVSA-N 0 3 298.430 2.914 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000852100231 634653936 /nfs/dbraw/zinc/65/39/36/634653936.db2.gz GFLFGLFGOFWMEB-WMZOPIPTSA-N 0 3 284.403 2.569 20 30 CFEDHN C#CCCCCCC(=O)N(CCN(C)C)Cc1ccco1 ZINC000779982647 628423976 /nfs/dbraw/zinc/42/39/76/628423976.db2.gz DLUXBUVUUFUMMD-UHFFFAOYSA-N 0 3 290.407 2.754 20 30 CFEDHN C(=NN[C@@H]1CCCOC1)c1ccc(N2CCCCC2)cc1 ZINC000780261100 628447564 /nfs/dbraw/zinc/44/75/64/628447564.db2.gz KRRICDLKQPFOQB-MRXNPFEDSA-N 0 3 287.407 2.779 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000781914209 628590995 /nfs/dbraw/zinc/59/09/95/628590995.db2.gz TUEZUZGYRQZUPV-STQMWFEESA-N 0 3 294.420 2.511 20 30 CFEDHN CCOc1ccc(C[NH+]2CCC(CC#N)CC2)c([O-])c1 ZINC000781926743 628591512 /nfs/dbraw/zinc/59/15/12/628591512.db2.gz KHDTVTSUCICANJ-UHFFFAOYSA-N 0 3 274.364 2.917 20 30 CFEDHN CC(C)[C@@H](F)C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000784488473 628820987 /nfs/dbraw/zinc/82/09/87/628820987.db2.gz KBEYPTYSGPZHPK-BXKDBHETSA-N 0 3 259.284 2.733 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)N(C)CC ZINC000805763226 628828578 /nfs/dbraw/zinc/82/85/78/628828578.db2.gz RNGNXEMJYVNJCC-AWEZNQCLSA-N 0 3 268.401 2.895 20 30 CFEDHN C#CCOCCNC1(c2ccccc2Cl)CCC1 ZINC000852209123 634690074 /nfs/dbraw/zinc/69/00/74/634690074.db2.gz LSSYFYIOEBFHJT-UHFFFAOYSA-N 0 3 263.768 2.959 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCOCC1 ZINC000786272234 628946196 /nfs/dbraw/zinc/94/61/96/628946196.db2.gz VDHOHKGVLBNXDV-CHWSQXEVSA-N 0 3 297.358 2.566 20 30 CFEDHN CC(C)(C#N)CCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786884423 628983366 /nfs/dbraw/zinc/98/33/66/628983366.db2.gz VZOLIIMNWSJWMM-CQSZACIVSA-N 0 3 278.396 2.876 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCCC1 ZINC000787069984 628991332 /nfs/dbraw/zinc/99/13/32/628991332.db2.gz DDVBEDXUIBEABX-INIZCTEOSA-N 0 3 298.386 2.934 20 30 CFEDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000787298498 629005495 /nfs/dbraw/zinc/00/54/95/629005495.db2.gz ASYKORHFVBOUSO-NWDGAFQWSA-N 0 3 291.420 2.658 20 30 CFEDHN C#Cc1ccc(CNC2(C(=O)NCCC)CCCCC2)cc1 ZINC000787774291 629034730 /nfs/dbraw/zinc/03/47/30/629034730.db2.gz GJSNMZHVDDRKJZ-UHFFFAOYSA-N 0 3 298.430 2.987 20 30 CFEDHN CN1CCCc2cc(C=NNCCc3ccccn3)ccc21 ZINC000789103143 629127097 /nfs/dbraw/zinc/12/70/97/629127097.db2.gz OCAWGNSHQDZEDQ-UHFFFAOYSA-N 0 3 294.402 2.630 20 30 CFEDHN C[C@@H](C#N)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805898843 629172838 /nfs/dbraw/zinc/17/28/38/629172838.db2.gz CKABMNCMFNRWRF-AWEZNQCLSA-N 0 3 286.375 2.601 20 30 CFEDHN CC(C)(C#N)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805914044 629213622 /nfs/dbraw/zinc/21/36/22/629213622.db2.gz YXYGITDFYYKICT-UHFFFAOYSA-N 0 3 286.375 2.989 20 30 CFEDHN N#CC[C@H]1CCCN(CCCOc2ccc(C#N)cc2)C1 ZINC000852319079 634719300 /nfs/dbraw/zinc/71/93/00/634719300.db2.gz GJWCJMNKHZUQET-MRXNPFEDSA-N 0 3 283.375 2.953 20 30 CFEDHN C#C[C@H](CCC)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000791031471 629283045 /nfs/dbraw/zinc/28/30/45/629283045.db2.gz LJWXDLIPBQVRAT-ZACQAIPSSA-N 0 3 299.418 2.533 20 30 CFEDHN C=CCC1(C(=O)OCCN2CCCCC2)CCC1 ZINC000791563098 629333544 /nfs/dbraw/zinc/33/35/44/629333544.db2.gz QKYARABTTVPBIG-UHFFFAOYSA-N 0 3 251.370 2.762 20 30 CFEDHN CCOC(CNC(C)(C)c1cccc(C#N)c1)OCC ZINC000852353386 634730035 /nfs/dbraw/zinc/73/00/35/634730035.db2.gz FBCNQJFPQGBEMM-UHFFFAOYSA-N 0 3 276.380 2.782 20 30 CFEDHN CCCCCCCN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000791586864 629337067 /nfs/dbraw/zinc/33/70/67/629337067.db2.gz ZJBXKARZDKVPSQ-HUUCEWRRSA-N 0 3 255.402 2.837 20 30 CFEDHN CC[C@@H](C)CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000791892161 629372463 /nfs/dbraw/zinc/37/24/63/629372463.db2.gz XQRYXCYRCNLQMA-HIFRSBDPSA-N 0 3 286.375 2.790 20 30 CFEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1nccc2ccccc21 ZINC000792106602 629397762 /nfs/dbraw/zinc/39/77/62/629397762.db2.gz SDNFWJDRWADDOA-WFASDCNBSA-N 0 3 280.327 2.838 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110042 629397986 /nfs/dbraw/zinc/39/79/86/629397986.db2.gz XERAYJLPBHXXSX-QDZRJHCZSA-N 0 3 263.300 2.772 20 30 CFEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1nncn1C ZINC000793527167 629562009 /nfs/dbraw/zinc/56/20/09/629562009.db2.gz OLBRPFAFRYFJRU-OLZOCXBDSA-N 0 3 250.390 2.991 20 30 CFEDHN C#CCCN1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796545851 629933369 /nfs/dbraw/zinc/93/33/69/629933369.db2.gz MWWFUSYBAIUJEL-INIZCTEOSA-N 0 3 292.423 2.733 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000796705748 629952653 /nfs/dbraw/zinc/95/26/53/629952653.db2.gz HMRXUCAXBITFRM-CQSZACIVSA-N 0 3 268.401 2.942 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796778293 629964552 /nfs/dbraw/zinc/96/45/52/629964552.db2.gz JVBPQKFBERQBRN-ARFHVFGLSA-N 0 3 298.386 2.805 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@@H]1CCCc2n[nH]cc21 ZINC000796973433 629997554 /nfs/dbraw/zinc/99/75/54/629997554.db2.gz XKJVQKLJNGMIOP-HZPDHXFCSA-N 0 3 278.359 2.936 20 30 CFEDHN N#CC1(CN[C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000852565971 634781893 /nfs/dbraw/zinc/78/18/93/634781893.db2.gz LAYPPSNMZSMAQE-DZGCQCFKSA-N 0 3 255.365 2.686 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCCCCC)C1=O ZINC000799176423 630283147 /nfs/dbraw/zinc/28/31/47/630283147.db2.gz RUWMCDUPVRGJME-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN CC[C@@H](c1ccccc1)N(CC(=O)NCCC#N)C(C)C ZINC000852693798 634809146 /nfs/dbraw/zinc/80/91/46/634809146.db2.gz LNZCSIIBKHLTGI-INIZCTEOSA-N 0 3 287.407 2.878 20 30 CFEDHN N#C[C@@H](OC(=O)C1CCN(C2CC2)CC1)C1CCCCC1 ZINC000801872873 630483405 /nfs/dbraw/zinc/48/34/05/630483405.db2.gz GAPDLPOEQIRVJB-MRXNPFEDSA-N 0 3 290.407 2.876 20 30 CFEDHN C[C@H](C#N)OCCN(Cc1ccc(F)cc1)C1CC1 ZINC000801910702 630484368 /nfs/dbraw/zinc/48/43/68/630484368.db2.gz VSLFACDJSORKFN-GFCCVEGCSA-N 0 3 262.328 2.719 20 30 CFEDHN CCCN(CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801914579 630487137 /nfs/dbraw/zinc/48/71/37/630487137.db2.gz XBDKZTJLZHLRAX-CYBMUJFWSA-N 0 3 264.344 2.966 20 30 CFEDHN COc1ccccc1[C@@H]1CCCN1CCO[C@H](C)C#N ZINC000801917763 630487610 /nfs/dbraw/zinc/48/76/10/630487610.db2.gz OSEGXAALBQDAJX-HIFRSBDPSA-N 0 3 274.364 2.761 20 30 CFEDHN CC[C@H](NCCO[C@@H](C)C#N)c1cc(F)ccc1F ZINC000801939754 630492416 /nfs/dbraw/zinc/49/24/16/630492416.db2.gz RRJZANXWZOOYCC-HZMBPMFUSA-N 0 3 268.307 2.934 20 30 CFEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCO[C@H](C)C#N ZINC000801941059 630492822 /nfs/dbraw/zinc/49/28/22/630492822.db2.gz HYIMDALPMCZVFY-HZPDHXFCSA-N 0 3 287.407 2.516 20 30 CFEDHN C[C@H](C#N)OCCN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000801952697 630495252 /nfs/dbraw/zinc/49/52/52/630495252.db2.gz BVXHNDOZJKGXEH-AIANPOQGSA-N 0 3 292.423 2.585 20 30 CFEDHN COC[C@H](NCCO[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000801952403 630495401 /nfs/dbraw/zinc/49/54/01/630495401.db2.gz VXAHRZXOYCQWPF-FZMZJTMJSA-N 0 3 282.771 2.546 20 30 CFEDHN COC[C@H](NCCO[C@@H](C)C#N)c1cccc(Cl)c1 ZINC000808798162 630533991 /nfs/dbraw/zinc/53/39/91/630533991.db2.gz JLCWYUWFCHQTAV-FZMZJTMJSA-N 0 3 282.771 2.546 20 30 CFEDHN C#CCCN(CCOC)CCC1(C#N)CCCCC1 ZINC000852750595 634824934 /nfs/dbraw/zinc/82/49/34/634824934.db2.gz ZNPFUKFNGAXQOS-UHFFFAOYSA-N 0 3 262.397 2.822 20 30 CFEDHN C=CCCCN(C)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840001352 630617425 /nfs/dbraw/zinc/61/74/25/630617425.db2.gz XMXUGMKNUNGZJY-UHFFFAOYSA-N 0 3 274.343 2.940 20 30 CFEDHN C=C(C)CCOC(=O)CCN1CCc2ccccc2C1 ZINC000803504752 630623742 /nfs/dbraw/zinc/62/37/42/630623742.db2.gz POCWIKXNNZYSNP-UHFFFAOYSA-N 0 3 273.376 2.944 20 30 CFEDHN N#Cc1ccc(Cl)c(C(=O)OCCN2CCCCC2)c1 ZINC000803834508 630647328 /nfs/dbraw/zinc/64/73/28/630647328.db2.gz HDAMBQYGHXWETG-UHFFFAOYSA-N 0 3 292.766 2.854 20 30 CFEDHN CC(C)C#CC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000854843042 635406741 /nfs/dbraw/zinc/40/67/41/635406741.db2.gz RJSKTTMACMANDP-KRWDZBQOSA-N 0 3 298.430 2.626 20 30 CFEDHN C=CCN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000102400434 630798633 /nfs/dbraw/zinc/79/86/33/630798633.db2.gz HFGBUAZDJKQZRQ-QWHCGFSZSA-N 0 3 268.401 2.940 20 30 CFEDHN N#CC(C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccccn1 ZINC000041482261 649990856 /nfs/dbraw/zinc/99/08/56/649990856.db2.gz KISXAYGNYOKFPZ-PIGZVRMJSA-N 0 3 282.343 2.653 20 30 CFEDHN CC(C)(C)C#CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000837318067 630996841 /nfs/dbraw/zinc/99/68/41/630996841.db2.gz ROKLFQWOIIRXJF-KRWDZBQOSA-N 0 3 298.430 2.989 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)C#CC1CC1)c1ccsc1 ZINC000837343235 631007652 /nfs/dbraw/zinc/00/76/52/631007652.db2.gz GSXCVRFDXQDCMV-OAHLLOKOSA-N 0 3 290.432 2.661 20 30 CFEDHN CN(C(=O)C#CC1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000837448379 631033064 /nfs/dbraw/zinc/03/30/64/631033064.db2.gz XTEKVNGQAUIAKY-GOSISDBHSA-N 0 3 296.414 2.523 20 30 CFEDHN C[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC000837464853 631038142 /nfs/dbraw/zinc/03/81/42/631038142.db2.gz LMKFXLFITFCFJI-DOTOQJQBSA-N 0 3 298.430 2.815 20 30 CFEDHN CN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000837472258 631040464 /nfs/dbraw/zinc/04/04/64/631040464.db2.gz KJVHXJWKRDURQA-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN CC(C)N1CCCC[C@H]1COC(=O)c1ccc(C#N)o1 ZINC000837740132 631120209 /nfs/dbraw/zinc/12/02/09/631120209.db2.gz IPVCERIXTWTEPJ-LBPRGKRZSA-N 0 3 276.336 2.571 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(CCc2ccccc2)CC1 ZINC000809571239 631237274 /nfs/dbraw/zinc/23/72/74/631237274.db2.gz LLFIHXYPFGRKAW-QGZVFWFLSA-N 0 3 272.392 2.606 20 30 CFEDHN C#C[C@@H](CC)[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000809686523 631260084 /nfs/dbraw/zinc/26/00/84/631260084.db2.gz XLLCATJTBIZTDC-NSHDSACASA-N 0 3 298.180 2.665 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC)c(OCCC)c1 ZINC000809686016 631263043 /nfs/dbraw/zinc/26/30/43/631263043.db2.gz IKJCGOBOUOIWFZ-CQSZACIVSA-N 0 3 261.365 2.985 20 30 CFEDHN C#CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC000810518677 631380159 /nfs/dbraw/zinc/38/01/59/631380159.db2.gz NQRAWJJYTBIIAD-KRWDZBQOSA-N 0 3 294.414 2.603 20 30 CFEDHN C#Cc1ccccc1CC(=O)N(CCN(C)C)C1CCCC1 ZINC000810549607 631389079 /nfs/dbraw/zinc/38/90/79/631389079.db2.gz NZCGQPUARYFTID-UHFFFAOYSA-N 0 3 298.430 2.543 20 30 CFEDHN C=CCCCCCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000841903462 631491102 /nfs/dbraw/zinc/49/11/02/631491102.db2.gz SFEYFEMHZASWOA-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN N#Cc1ccc(CN2CCCN(C/C=C\Cl)CC2)cc1 ZINC000842213630 631567284 /nfs/dbraw/zinc/56/72/84/631567284.db2.gz JTTKAZGOQPVODP-XFSBKJJWSA-N 0 3 289.810 2.818 20 30 CFEDHN COc1cc(C[NH2+]Cc2cc(F)ccc2[O-])ccc1C#N ZINC000811512936 631576065 /nfs/dbraw/zinc/57/60/65/631576065.db2.gz AZGOBJXLVVMNRD-UHFFFAOYSA-N 0 3 286.306 2.701 20 30 CFEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)c1ccncn1 ZINC000842335052 631596385 /nfs/dbraw/zinc/59/63/85/631596385.db2.gz ISCLXZGMJZFCLI-STQMWFEESA-N 0 3 275.352 2.638 20 30 CFEDHN C#C[C@@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000812045602 631655869 /nfs/dbraw/zinc/65/58/69/631655869.db2.gz NFJKEVYUEKPKIZ-NVXWUHKLSA-N 0 3 299.418 2.535 20 30 CFEDHN C#CC[C@H]1CCCN(Cn2ccc(-c3ccc(F)cn3)n2)C1 ZINC000842629174 631685820 /nfs/dbraw/zinc/68/58/20/631685820.db2.gz KYYHZGBTZKFFKV-AWEZNQCLSA-N 0 3 298.365 2.777 20 30 CFEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CC1 ZINC000842775336 631737371 /nfs/dbraw/zinc/73/73/71/631737371.db2.gz MABFFTBWGDHQOR-CYBMUJFWSA-N 0 3 266.300 2.590 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849645 631797001 /nfs/dbraw/zinc/79/70/01/631797001.db2.gz QXCOZRRKOOWQGL-KDOFPFPSSA-N 0 3 295.386 2.897 20 30 CFEDHN COC[C@H](C)[C@@H](C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000813061921 631822490 /nfs/dbraw/zinc/82/24/90/631822490.db2.gz XEWCGMGLJNLSAR-QJPTWQEYSA-N 0 3 286.331 2.923 20 30 CFEDHN C#Cc1ccc(CN[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1 ZINC000813327698 631902026 /nfs/dbraw/zinc/90/20/26/631902026.db2.gz JCXUFRDGGCILKM-KBPBESRZSA-N 0 3 285.309 2.705 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000843422943 631951570 /nfs/dbraw/zinc/95/15/70/631951570.db2.gz JUNBDCHOJZVVHR-ZDUSSCGKSA-N 0 3 255.365 2.589 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000843423459 631952607 /nfs/dbraw/zinc/95/26/07/631952607.db2.gz DWYCADYWHSUGFI-HNNXBMFYSA-N 0 3 282.391 2.581 20 30 CFEDHN C#CC1CCN(Cc2cnc(N(CC)CC)s2)CC1 ZINC000843428999 631956309 /nfs/dbraw/zinc/95/63/09/631956309.db2.gz RZINQJCXOKCGRS-UHFFFAOYSA-N 0 3 277.437 2.835 20 30 CFEDHN CCCCCCCCOCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000814142977 632017628 /nfs/dbraw/zinc/01/76/28/632017628.db2.gz IHZKQQYEAXKUSC-HOTGVXAUSA-N 0 3 296.455 2.526 20 30 CFEDHN C#C[C@H](NCCO[C@@H](CC)c1ccccc1)[C@@H]1CCCO1 ZINC000844322747 632169516 /nfs/dbraw/zinc/16/95/16/632169516.db2.gz PDFBCAMMBWZPHM-BZSNNMDCSA-N 0 3 287.403 2.925 20 30 CFEDHN CC(C)CCOCCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369272 632182546 /nfs/dbraw/zinc/18/25/46/632182546.db2.gz JOANRVYPXLFKMF-QGZVFWFLSA-N 0 3 290.407 2.586 20 30 CFEDHN CO[C@@H](CC(C)C)CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370176 632182815 /nfs/dbraw/zinc/18/28/15/632182815.db2.gz GFIAMNJUQHCQAU-IRXDYDNUSA-N 0 3 290.407 2.585 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844439727 632212188 /nfs/dbraw/zinc/21/21/88/632212188.db2.gz POBYGCPFIHIZCE-CABCVRRESA-N 0 3 292.329 2.713 20 30 CFEDHN C=CCc1cc(OC)cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000844752034 632298131 /nfs/dbraw/zinc/29/81/31/632298131.db2.gz CVIIEGQXZUQFCW-OKILXGFUSA-N 0 3 295.329 2.826 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000815651925 632305126 /nfs/dbraw/zinc/30/51/26/632305126.db2.gz JASFIEPUMRQHSY-JSGCOSHPSA-N 0 3 290.382 2.624 20 30 CFEDHN C=C(C)CONC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000845612116 632483517 /nfs/dbraw/zinc/48/35/17/632483517.db2.gz SDBOBGCHAPFUCF-OLZOCXBDSA-N 0 3 295.383 2.516 20 30 CFEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C ZINC000816648761 632503645 /nfs/dbraw/zinc/50/36/45/632503645.db2.gz ORRGPUWNFOZJNL-KGLIPLIRSA-N 0 3 295.390 2.699 20 30 CFEDHN C[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C ZINC000816648760 632503993 /nfs/dbraw/zinc/50/39/93/632503993.db2.gz ORRGPUWNFOZJNL-KBPBESRZSA-N 0 3 295.390 2.699 20 30 CFEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816660646 632506353 /nfs/dbraw/zinc/50/63/53/632506353.db2.gz LFYJIFBMBLYYCG-GOEBONIOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(Cl)n2)CC1 ZINC000106039419 632551140 /nfs/dbraw/zinc/55/11/40/632551140.db2.gz QDJWLGDACCENAD-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(C)C[C@H]1CCCN1C ZINC000817676291 632684249 /nfs/dbraw/zinc/68/42/49/632684249.db2.gz CWGQSWHNQKEQJZ-HUUCEWRRSA-N 0 3 297.443 2.510 20 30 CFEDHN C=C[C@H](C)ONC(=O)c1cccc(CN2CCCCC2)c1 ZINC000846555565 632742300 /nfs/dbraw/zinc/74/23/00/632742300.db2.gz WOESHWYJGPCTET-AWEZNQCLSA-N 0 3 288.391 2.908 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CNCCC1(F)F ZINC000817979911 632776983 /nfs/dbraw/zinc/77/69/83/632776983.db2.gz FYZSFLMEIHZAIT-GJZGRUSLSA-N 0 3 291.345 2.522 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000818346362 632834743 /nfs/dbraw/zinc/83/47/43/632834743.db2.gz DCZKSLQFWUJSIH-WWGRRREGSA-N 0 3 261.365 2.942 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC000818593246 632874880 /nfs/dbraw/zinc/87/48/80/632874880.db2.gz RIFSMDVQFZLKLI-JCYILVPMSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000818595959 632876207 /nfs/dbraw/zinc/87/62/07/632876207.db2.gz WJKJJCOXJQWCKL-UHFFFAOYSA-N 0 3 298.386 2.735 20 30 CFEDHN CCOc1ccccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818971506 632918747 /nfs/dbraw/zinc/91/87/47/632918747.db2.gz XSWQPUUFQFIACC-QGZVFWFLSA-N 0 3 296.370 2.780 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)CCC(C)C ZINC000819072073 632952252 /nfs/dbraw/zinc/95/22/52/632952252.db2.gz JMPKQRYNCOXJIU-MRXNPFEDSA-N 0 3 275.392 2.585 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCCC#N)cc1 ZINC000847623517 633010697 /nfs/dbraw/zinc/01/06/97/633010697.db2.gz LTPKUNBDKOGGBQ-OAHLLOKOSA-N 0 3 297.358 2.980 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)OC[C@@H](C)N1CCCCC1 ZINC000847961053 633168302 /nfs/dbraw/zinc/16/83/02/633168302.db2.gz SNIRFEXGVLUFEK-CQSZACIVSA-N 0 3 286.375 2.898 20 30 CFEDHN Cc1ccc(C(=O)OC[C@@H](C)N2CCCCC2)cc1C#N ZINC000847962415 633169645 /nfs/dbraw/zinc/16/96/45/633169645.db2.gz GENIKFMEHRTZSH-CQSZACIVSA-N 0 3 286.375 2.898 20 30 CFEDHN Fc1cnc(N=NC2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000848412346 633252278 /nfs/dbraw/zinc/25/22/78/633252278.db2.gz OEDBIAXJGFOKHR-ZDUSSCGKSA-N 0 3 280.322 2.776 20 30 CFEDHN Fc1cccc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848412129 633252852 /nfs/dbraw/zinc/25/28/52/633252852.db2.gz XVFVJZZGCXUFFQ-LBPRGKRZSA-N 0 3 262.332 2.637 20 30 CFEDHN CC[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000848569090 633291911 /nfs/dbraw/zinc/29/19/11/633291911.db2.gz BUMNOQXPJMHOAL-HOTGVXAUSA-N 0 3 299.374 2.582 20 30 CFEDHN CC[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000848569091 633292081 /nfs/dbraw/zinc/29/20/81/633292081.db2.gz BUMNOQXPJMHOAL-HZPDHXFCSA-N 0 3 299.374 2.582 20 30 CFEDHN C#C[C@H](NC(=O)N1CCN(C(C)(C)CC)CC1)C(C)(C)C ZINC000848661290 633312520 /nfs/dbraw/zinc/31/25/20/633312520.db2.gz YPUISAVCCOTDTP-AWEZNQCLSA-N 0 3 293.455 2.550 20 30 CFEDHN C=CCCCN(C)Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848887838 633362600 /nfs/dbraw/zinc/36/26/00/633362600.db2.gz GFQOEZJKAJWDBO-MDZDMXLPSA-N 0 3 263.337 2.864 20 30 CFEDHN C#CCN(Cc1ccc(/C=C/C(=O)OC)o1)C1CCCC1 ZINC000848890006 633365004 /nfs/dbraw/zinc/36/50/04/633365004.db2.gz PXYIWUQACHGNBJ-ZHACJKMWSA-N 0 3 287.359 2.844 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 ZINC000848923851 633406301 /nfs/dbraw/zinc/40/63/01/633406301.db2.gz KCVCCQSYYHVUEY-GFCCVEGCSA-N 0 3 271.389 2.983 20 30 CFEDHN C=C(C)CN1CCC(Nc2nnc(C(C)(C)C)o2)CC1 ZINC000849164581 633575052 /nfs/dbraw/zinc/57/50/52/633575052.db2.gz QEWXMGHSUKLMFN-UHFFFAOYSA-N 0 3 278.400 2.820 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)O)cc1 ZINC000850421378 633985411 /nfs/dbraw/zinc/98/54/11/633985411.db2.gz XPKFSECZZVTYTK-DNVCBOLYSA-N 0 3 295.382 2.910 20 30 CFEDHN C=C(Br)CN[C@@H](C)CSCCF ZINC000850431982 633989219 /nfs/dbraw/zinc/98/92/19/633989219.db2.gz OFJVEHJZVCDINE-QMMMGPOBSA-N 0 3 256.184 2.576 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2C[C@@H](O)c3ccccc32)C1 ZINC000850529310 634036312 /nfs/dbraw/zinc/03/63/12/634036312.db2.gz QHVXREHVLLGRBS-GUYJKWIASA-N 0 3 256.349 2.837 20 30 CFEDHN CO[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000850781917 634090547 /nfs/dbraw/zinc/09/05/47/634090547.db2.gz GJHJQOWRFOIICN-IJLUTSLNSA-N 0 3 284.315 2.819 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCCF)c1ccccc1 ZINC000850978489 634163307 /nfs/dbraw/zinc/16/33/07/634163307.db2.gz TVRLVPKNWBDGGS-UONOGXRCSA-N 0 3 290.338 2.712 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C[C@@H](CCC)CC2=O)C1 ZINC000853536466 635030365 /nfs/dbraw/zinc/03/03/65/635030365.db2.gz CSECWNCZYMHLGO-GJZGRUSLSA-N 0 3 264.413 2.881 20 30 CFEDHN C=CCCc1noc(C[C@H]2NCc3ccccc32)n1 ZINC000854159587 635234873 /nfs/dbraw/zinc/23/48/73/635234873.db2.gz GZJCAKNZOQAKIO-CYBMUJFWSA-N 0 3 255.321 2.575 20 30 CFEDHN C[C@@H]1COC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000925488506 635392616 /nfs/dbraw/zinc/39/26/16/635392616.db2.gz KAJJXSVRSOYWQS-BXUZGUMPSA-N 0 3 283.293 2.681 20 30 CFEDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000858258050 636168399 /nfs/dbraw/zinc/16/83/99/636168399.db2.gz ZKMRMVSFAPGXHX-MAZHCROVSA-N 0 3 274.364 2.635 20 30 CFEDHN C#CC[C@@H](COC)NC/C=C/c1ccc(F)cc1F ZINC000858334576 636194761 /nfs/dbraw/zinc/19/47/61/636194761.db2.gz BKSFGECHFZZDDT-YVZNUBBCSA-N 0 3 265.303 2.606 20 30 CFEDHN COC(=O)C1=CC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000858475359 636262417 /nfs/dbraw/zinc/26/24/17/636262417.db2.gz YNFNJRQJYPXVKF-HZMBPMFUSA-N 0 3 288.322 2.610 20 30 CFEDHN C#CCCOC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000858875315 636366452 /nfs/dbraw/zinc/36/64/52/636366452.db2.gz YOEDHKDMMZMKNE-WBVHZDCISA-N 0 3 298.386 2.763 20 30 CFEDHN C#CCCOC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000858892523 636373994 /nfs/dbraw/zinc/37/39/94/636373994.db2.gz YEZQKXUPXAJHDH-MRXNPFEDSA-N 0 3 286.375 2.573 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000859444374 636564920 /nfs/dbraw/zinc/56/49/20/636564920.db2.gz LXYCCOVQHPPPBL-LLVKDONJSA-N 0 3 253.777 2.780 20 30 CFEDHN C=CC[C@H]1CCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000859444219 636565307 /nfs/dbraw/zinc/56/53/07/636565307.db2.gz HDGJLECGRRRXGH-FZMZJTMJSA-N 0 3 267.319 2.896 20 30 CFEDHN CC(C)(NCC(=O)NCCC#N)c1ccc2ccccc2c1 ZINC000860073112 636779670 /nfs/dbraw/zinc/77/96/70/636779670.db2.gz JFGMTUIPKQPCPY-UHFFFAOYSA-N 0 3 295.386 2.694 20 30 CFEDHN C[C@@H](CN(C)CCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860096748 636785660 /nfs/dbraw/zinc/78/56/60/636785660.db2.gz MZEVRRZXXYGYPE-LBPRGKRZSA-N 0 3 283.416 2.771 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860471267 636891972 /nfs/dbraw/zinc/89/19/72/636891972.db2.gz GCBLETKEPSYZAV-OAGGEKHMSA-N 0 3 296.370 2.581 20 30 CFEDHN Cc1c(F)nccc1CNCCOc1ccc(C#N)cc1 ZINC000862282943 637311997 /nfs/dbraw/zinc/31/19/97/637311997.db2.gz XXXKFSZPSQRCSF-UHFFFAOYSA-N 0 3 285.322 2.569 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@@H]2CCCC2(C)C)CC1 ZINC000862363771 637336747 /nfs/dbraw/zinc/33/67/47/637336747.db2.gz UFODNRNLKVYGIH-INIZCTEOSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000862394246 637354041 /nfs/dbraw/zinc/35/40/41/637354041.db2.gz FXDWTEXSVHLGNS-MRXNPFEDSA-N 0 3 284.419 2.917 20 30 CFEDHN C#CC[C@H](COC)N[C@H](C)c1cc2cnccc2o1 ZINC000862551380 637422941 /nfs/dbraw/zinc/42/29/41/637422941.db2.gz UFAFKCRXNJAZEE-DGCLKSJQSA-N 0 3 258.321 2.517 20 30 CFEDHN C#CCCCCC(=O)N(CCN(C)C)c1ccccc1 ZINC000119770989 637834035 /nfs/dbraw/zinc/83/40/35/637834035.db2.gz LNDCPHUYUGYTEE-UHFFFAOYSA-N 0 3 272.392 2.775 20 30 CFEDHN C=CC[C@H](C)NCc1cccnc1Br ZINC000865469045 638355802 /nfs/dbraw/zinc/35/58/02/638355802.db2.gz ISGNLKNPRCYDFN-VIFPVBQESA-N 0 3 255.159 2.898 20 30 CFEDHN C#CCCCCNCc1c(OC)cc(F)cc1OC ZINC000865491783 638376700 /nfs/dbraw/zinc/37/67/00/638376700.db2.gz QXZQDTBLNJDJGW-UHFFFAOYSA-N 0 3 265.328 2.736 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cnc(Cl)c(F)c2)C1 ZINC000865608856 638457031 /nfs/dbraw/zinc/45/70/31/638457031.db2.gz CSLWBNHVYXPWIV-WCBMZHEXSA-N 0 3 253.708 2.656 20 30 CFEDHN C#CC[C@@H](COC)NCc1cnc2c(F)cccc2c1 ZINC000865646635 638485286 /nfs/dbraw/zinc/48/52/86/638485286.db2.gz XAGNRLNMFNMRNX-AWEZNQCLSA-N 0 3 272.323 2.502 20 30 CFEDHN C=CCOc1ccc(CNc2cc3n(n2)CCN(C)C3)cc1 ZINC000865845982 638609020 /nfs/dbraw/zinc/60/90/20/638609020.db2.gz OUOCEJBZCPOGLJ-UHFFFAOYSA-N 0 3 298.390 2.505 20 30 CFEDHN C=C(Br)CN[C@@](C)(CO)C1CCCCC1 ZINC000077656025 650439185 /nfs/dbraw/zinc/43/91/85/650439185.db2.gz VUYNLEHHAJQGQQ-LBPRGKRZSA-N 0 3 276.218 2.816 20 30 CFEDHN C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000866280917 638788530 /nfs/dbraw/zinc/78/85/30/638788530.db2.gz CPLCBZWNRZYGQK-AEGPPILISA-N 0 3 287.407 2.787 20 30 CFEDHN C[C@@H](NC1CCN(c2ccccc2C#N)CC1)c1ncc[nH]1 ZINC000866448704 638824188 /nfs/dbraw/zinc/82/41/88/638824188.db2.gz KDDZTCGHIYVPEA-CYBMUJFWSA-N 0 3 295.390 2.601 20 30 CFEDHN CCn1ccnc1[C@@H](C)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866615146 638855347 /nfs/dbraw/zinc/85/53/47/638855347.db2.gz BNXAZHGDUAEHGB-MLGOLLRUSA-N 0 3 280.375 2.593 20 30 CFEDHN C#CCCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000191226974 650485095 /nfs/dbraw/zinc/48/50/95/650485095.db2.gz HWKXPKPKZWZBDI-INIZCTEOSA-N 0 3 271.360 2.608 20 30 CFEDHN C#CCOc1ccc(CNCc2cncc(C)c2)cc1 ZINC000123156579 639653558 /nfs/dbraw/zinc/65/35/58/639653558.db2.gz USZULQSNZXLFJZ-UHFFFAOYSA-N 0 3 266.344 2.692 20 30 CFEDHN CCCCCCN(C)CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000870672154 639762944 /nfs/dbraw/zinc/76/29/44/639762944.db2.gz JVZUEHLFDDYPTQ-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)c1ccccc1 ZINC000123601355 641313955 /nfs/dbraw/zinc/31/39/55/641313955.db2.gz IZKASEUYAGNPCI-BBRMVZONSA-N 0 3 298.386 2.948 20 30 CFEDHN C=CCCOCCN[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871879987 641496169 /nfs/dbraw/zinc/49/61/69/641496169.db2.gz MWDPZJGOCBYPPU-INIZCTEOSA-N 0 3 290.407 2.894 20 30 CFEDHN CC(C)(C)c1ccc(CNC[C@H](O)CC(C)(C)C#N)o1 ZINC000872234676 641711723 /nfs/dbraw/zinc/71/17/23/641711723.db2.gz WQSIWBGHHACMGI-GFCCVEGCSA-N 0 3 278.396 2.967 20 30 CFEDHN C=CC(C)(C)CCCNCc1cn(C(C)C)nn1 ZINC000873151783 642032976 /nfs/dbraw/zinc/03/29/76/642032976.db2.gz PBOKKGDXURUUEJ-UHFFFAOYSA-N 0 3 250.390 2.941 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)c(F)c1 ZINC000873155579 642037613 /nfs/dbraw/zinc/03/76/13/642037613.db2.gz GCROYBPPVCCSAQ-DUVNUKRYSA-N 0 3 274.339 2.745 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873158173 642042383 /nfs/dbraw/zinc/04/23/83/642042383.db2.gz SINDJSGSGVRZPO-ZVZYQTTQSA-N 0 3 285.387 2.746 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cccc(Cl)n1 ZINC000194696557 650724551 /nfs/dbraw/zinc/72/45/51/650724551.db2.gz XIRCAPQLEDBWNF-NSHDSACASA-N 0 3 299.717 2.696 20 30 CFEDHN CC[C@@H](Cc1cccc(C)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000873497844 642223177 /nfs/dbraw/zinc/22/31/77/642223177.db2.gz PTBIDMUZYNDIRB-HOCLYGCPSA-N 0 3 298.386 2.551 20 30 CFEDHN C=C(Br)CN[C@H](CCCC)COC ZINC000125103388 642436089 /nfs/dbraw/zinc/43/60/89/642436089.db2.gz VDHTXFDQOOKSIB-SNVBAGLBSA-N 0 3 250.180 2.690 20 30 CFEDHN C=C(Br)CN[C@H]1C[C@](C)(OC)C1(C)C ZINC000125199867 642541343 /nfs/dbraw/zinc/54/13/43/642541343.db2.gz LGEPWEJUSSKJHO-ONGXEEELSA-N 0 3 262.191 2.688 20 30 CFEDHN CC[C@H](C#N)Oc1cccc(CNCc2ccn(C)c2)c1 ZINC000125526302 642663756 /nfs/dbraw/zinc/66/37/56/642663756.db2.gz ZQFWYXGTFLJNJB-MRXNPFEDSA-N 0 3 283.375 2.996 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000876503446 642896513 /nfs/dbraw/zinc/89/65/13/642896513.db2.gz KAFXBZLSKVLOKV-LBPRGKRZSA-N 0 3 293.798 2.695 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)ccc1C ZINC000876544152 642913548 /nfs/dbraw/zinc/91/35/48/642913548.db2.gz OWRXVTALXOMKNY-LLVKDONJSA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cccc1CC ZINC000876545572 642914353 /nfs/dbraw/zinc/91/43/53/642914353.db2.gz JRMYLVJCCDJRCT-LBPRGKRZSA-N 0 3 266.772 2.966 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(OCC)cc1 ZINC000876553767 642919208 /nfs/dbraw/zinc/91/92/08/642919208.db2.gz XLEADQQRGAFEHD-CQSZACIVSA-N 0 3 296.798 2.514 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000876559606 642922238 /nfs/dbraw/zinc/92/22/38/642922238.db2.gz BLOMPBSTWJSREH-GJZGRUSLSA-N 0 3 292.810 2.992 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](CC)c1ccccc1 ZINC000876561702 642923825 /nfs/dbraw/zinc/92/38/25/642923825.db2.gz QVHQABYFPJZLDK-JSGCOSHPSA-N 0 3 280.799 2.766 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000876571011 642928757 /nfs/dbraw/zinc/92/87/57/642928757.db2.gz RJJFPGLQGBWHSU-SMDDNHRTSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000876574230 642929559 /nfs/dbraw/zinc/92/95/59/642929559.db2.gz AMLQBRJOEORKCG-OAHLLOKOSA-N 0 3 292.810 2.863 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000876578534 642931774 /nfs/dbraw/zinc/93/17/74/642931774.db2.gz QWNNPDYYSCGANW-CQSZACIVSA-N 0 3 296.798 2.560 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000876585515 642934439 /nfs/dbraw/zinc/93/44/39/642934439.db2.gz NAIYXXBPUPNQIC-CQSZACIVSA-N 0 3 296.773 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C1CC1)C1CCCCC1 ZINC000876595164 642937785 /nfs/dbraw/zinc/93/77/85/642937785.db2.gz XNUCXXVCCDMUPZ-CYBMUJFWSA-N 0 3 270.804 2.780 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCCCc1ccccc1 ZINC000876604815 642942215 /nfs/dbraw/zinc/94/22/15/642942215.db2.gz FSZGWULXHSYJGW-HNNXBMFYSA-N 0 3 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ZINC000878653880 643977260 /nfs/dbraw/zinc/97/72/60/643977260.db2.gz NBGNNFYWZVFEKQ-SFHVURJKSA-N 0 3 298.430 2.613 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878886352 644061712 /nfs/dbraw/zinc/06/17/12/644061712.db2.gz GZLJQJITMCHZSQ-HOTGVXAUSA-N 0 3 292.423 2.588 20 30 CFEDHN CN(CC(C)(C)NC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000878885712 644061781 /nfs/dbraw/zinc/06/17/81/644061781.db2.gz OBFNBEQCHYOMQT-UHFFFAOYSA-N 0 3 295.427 2.915 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)OCC)n1 ZINC000878991919 644100381 /nfs/dbraw/zinc/10/03/81/644100381.db2.gz PSHXAPCCGLIJNV-GASCZTMLSA-N 0 3 286.375 2.941 20 30 CFEDHN CN(CCc1cccc(C#N)c1)CC1(CC#N)CC1 ZINC000879432486 644269612 /nfs/dbraw/zinc/26/96/12/644269612.db2.gz LNZDHPILZPKVPN-UHFFFAOYSA-N 0 3 253.349 2.726 20 30 CFEDHN CC[C@H](NCCO[C@@H](C)C#N)c1cccc(OC)c1OC ZINC000879465820 644281024 /nfs/dbraw/zinc/28/10/24/644281024.db2.gz JLFWVWQTCHUDQI-JSGCOSHPSA-N 0 3 292.379 2.673 20 30 CFEDHN C=CCOCCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879553427 644315086 /nfs/dbraw/zinc/31/50/86/644315086.db2.gz LXNJRUBRFHTOFR-UHFFFAOYSA-N 0 3 291.395 2.719 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879566185 644327446 /nfs/dbraw/zinc/32/74/46/644327446.db2.gz STKOOQRSDRLEPP-HZPDHXFCSA-N 0 3 257.402 2.723 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879602301 644346309 /nfs/dbraw/zinc/34/63/09/644346309.db2.gz HWQBYXCKXBHCBW-UHFFFAOYSA-N 0 3 288.391 2.953 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651656 644365036 /nfs/dbraw/zinc/36/50/36/644365036.db2.gz FOWQPGFNDPSAOS-UONOGXRCSA-N 0 3 290.407 2.856 20 30 CFEDHN CCC(O)(CC)C(C)(C)NCc1ccccc1C#N ZINC000879697374 644386292 /nfs/dbraw/zinc/38/62/92/644386292.db2.gz VWFCMYSNSKKFPX-UHFFFAOYSA-N 0 3 260.381 2.978 20 30 CFEDHN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CC[C@H](C#N)C1 ZINC000880079738 644525284 /nfs/dbraw/zinc/52/52/84/644525284.db2.gz JLCHQNZGXSANEG-CWRNSKLLSA-N 0 3 299.374 2.636 20 30 CFEDHN CC(C)(C#N)CCN1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189121 644572500 /nfs/dbraw/zinc/57/25/00/644572500.db2.gz XZIFVPONRGKUNI-HOTGVXAUSA-N 0 3 269.392 2.889 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CF)C1 ZINC000880232383 644593451 /nfs/dbraw/zinc/59/34/51/644593451.db2.gz LQXGVPYOQVCBLZ-AWEZNQCLSA-N 0 3 292.354 2.627 20 30 CFEDHN Cc1ccc([C@@H]2CCN(CC(=O)NCCC#N)C2(C)C)cc1 ZINC000880290269 644629012 /nfs/dbraw/zinc/62/90/12/644629012.db2.gz XDNOVZUVNHTXPR-INIZCTEOSA-N 0 3 299.418 2.593 20 30 CFEDHN CCC#C[C@H](C)N1CCN(CCCOC(C)(C)C)CC1 ZINC000880413958 644697480 /nfs/dbraw/zinc/69/74/80/644697480.db2.gz XRGMERBOOYVCEW-INIZCTEOSA-N 0 3 280.456 2.611 20 30 CFEDHN C#CCC1(O)CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000880479814 644731189 /nfs/dbraw/zinc/73/11/89/644731189.db2.gz ZAEFEMTZVMPVHE-CYBMUJFWSA-N 0 3 261.340 2.737 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc(C(C)C)nc2C)CC1 ZINC000880484508 644732314 /nfs/dbraw/zinc/73/23/14/644732314.db2.gz XYTINGHUPHWVFN-UHFFFAOYSA-N 0 3 286.419 2.864 20 30 CFEDHN Cc1nc(C#N)cc(NC[C@H](c2cccc(F)c2)N(C)C)n1 ZINC000881757460 645123212 /nfs/dbraw/zinc/12/32/12/645123212.db2.gz WCVYCJAMLJRIIF-OAHLLOKOSA-N 0 3 299.353 2.511 20 30 CFEDHN CC(C)c1c[nH]c(CNCC2CCC(C#N)CC2)n1 ZINC000883111818 645608738 /nfs/dbraw/zinc/60/87/38/645608738.db2.gz QKDAFXPEKXEVQK-UHFFFAOYSA-N 0 3 260.385 2.953 20 30 CFEDHN C#CC[C@@H](CO)NCc1ccccc1OCc1ccccc1 ZINC000883122866 645613402 /nfs/dbraw/zinc/61/34/02/645613402.db2.gz CIZSFGOHCZGXJI-SFHVURJKSA-N 0 3 295.382 2.739 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccccc1N1CCCCC1 ZINC000883158224 645631777 /nfs/dbraw/zinc/63/17/77/645631777.db2.gz YGXJTCQODNCMRP-QGZVFWFLSA-N 0 3 286.419 2.541 20 30 CFEDHN C=CCC[C@@H](COc1ccccc1)NCC(=O)NC(C)C ZINC000883167420 645635604 /nfs/dbraw/zinc/63/56/04/645635604.db2.gz YDTASEXGKQGSTR-HNNXBMFYSA-N 0 3 290.407 2.514 20 30 CFEDHN N#CC1(c2ccc(CN[C@H]3CCCC34OCCO4)cc2)CC1 ZINC000883177607 645642792 /nfs/dbraw/zinc/64/27/92/645642792.db2.gz DMGVCDBCUQSEOA-INIZCTEOSA-N 0 3 298.386 2.627 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H]3CCCC34OCCO4)cc2)CC1 ZINC000883177608 645642938 /nfs/dbraw/zinc/64/29/38/645642938.db2.gz DMGVCDBCUQSEOA-MRXNPFEDSA-N 0 3 298.386 2.627 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCCC23OCCO3)c1 ZINC000883180110 645643708 /nfs/dbraw/zinc/64/37/08/645643708.db2.gz STWBVZIUDYXTAV-MRXNPFEDSA-N 0 3 289.375 2.637 20 30 CFEDHN C=CCC[C@H](NCc1ccc(F)cn1)[C@H]1CCCO1 ZINC000883198227 645657885 /nfs/dbraw/zinc/65/78/85/645657885.db2.gz CQCYGSDTWBEHID-LSDHHAIUSA-N 0 3 264.344 2.824 20 30 CFEDHN C=CCC[C@H](NCc1cccc(F)n1)[C@@H]1CCCO1 ZINC000883207943 645664684 /nfs/dbraw/zinc/66/46/84/645664684.db2.gz WBDPGQLKBCFSIJ-KBPBESRZSA-N 0 3 264.344 2.824 20 30 CFEDHN C=CCC[C@H](NCc1ccc(C#N)cn1)[C@@H]1CCCO1 ZINC000883217334 645670985 /nfs/dbraw/zinc/67/09/85/645670985.db2.gz GTXKSQLDFFIMLW-HOTGVXAUSA-N 0 3 271.364 2.557 20 30 CFEDHN C=CCC[C@@H](NCc1cnc(CC)o1)[C@@H]1CCCO1 ZINC000883227124 645677086 /nfs/dbraw/zinc/67/70/86/645677086.db2.gz LNPKAWUYSZXEMA-KGLIPLIRSA-N 0 3 264.369 2.840 20 30 CFEDHN C#CC1(NCc2ccc(C(=O)NC3CC3)cc2)CCCC1 ZINC000883362653 645769832 /nfs/dbraw/zinc/76/98/32/645769832.db2.gz KJBSOJRIIGBQDI-UHFFFAOYSA-N 0 3 282.387 2.614 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cn2ccnc2)c2ccccc2)C1 ZINC000883387933 645785124 /nfs/dbraw/zinc/78/51/24/645785124.db2.gz ILMKMFIAAYLQCB-PVAVHDDUSA-N 0 3 280.375 2.906 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000883389037 645786742 /nfs/dbraw/zinc/78/67/42/645786742.db2.gz IZVWANQNOZSMFC-CHWSQXEVSA-N 0 3 279.380 2.682 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1F ZINC000883388992 645786754 /nfs/dbraw/zinc/78/67/54/645786754.db2.gz IJRQSTPAZQCLDH-JQWIXIFHSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(F)ccc1F ZINC000883389626 645787518 /nfs/dbraw/zinc/78/75/18/645787518.db2.gz UYOIWMZGIQOAPI-PWSUYJOCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000883390292 645788357 /nfs/dbraw/zinc/78/83/57/645788357.db2.gz JBTAVABSMAYCSB-RYUDHWBXSA-N 0 3 297.370 2.821 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1nc2ccccc2n1C ZINC000883390844 645789557 /nfs/dbraw/zinc/78/95/57/645789557.db2.gz WAWCQLZMOXBECO-OLZOCXBDSA-N 0 3 273.380 2.551 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000883392061 645791262 /nfs/dbraw/zinc/79/12/62/645791262.db2.gz ZFPUIBOLEHUBAQ-WZRBSPASSA-N 0 3 279.355 2.996 20 30 CFEDHN CC[C@@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883395273 645793427 /nfs/dbraw/zinc/79/34/27/645793427.db2.gz QHXUFJPQWYYRNX-DLBZAZTESA-N 0 3 297.402 2.610 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1ccnn1CCc1ccccc1 ZINC000883399038 645795685 /nfs/dbraw/zinc/79/56/85/645795685.db2.gz BPTGDYUIMPMLBL-QGZVFWFLSA-N 0 3 299.418 2.543 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1ccc(F)cc1Cl ZINC000883401010 645797529 /nfs/dbraw/zinc/79/75/29/645797529.db2.gz ZSIVMYVIVLXGMB-GFCCVEGCSA-N 0 3 257.736 2.896 20 30 CFEDHN C#CCOc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000134237130 646310270 /nfs/dbraw/zinc/31/02/70/646310270.db2.gz LPZQHWPHCVOUAZ-UHFFFAOYSA-N 0 3 267.328 2.694 20 30 CFEDHN C=C(C)CCOC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481172 646695509 /nfs/dbraw/zinc/69/55/09/646695509.db2.gz KWGFOCLMNNPRDJ-GFCCVEGCSA-N 0 3 267.369 2.533 20 30 CFEDHN Cc1ccc(CN(C[C@@H](O)CC2(C#N)CCC2)C2CC2)o1 ZINC000885959152 646783715 /nfs/dbraw/zinc/78/37/15/646783715.db2.gz UHKDUOQZEQUWPY-HNNXBMFYSA-N 0 3 288.391 2.997 20 30 CFEDHN Cc1cc([C@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)on1 ZINC000885958824 646784340 /nfs/dbraw/zinc/78/43/40/646784340.db2.gz MEVIDYSIJMMXNR-UONOGXRCSA-N 0 3 289.379 2.565 20 30 CFEDHN C=CC[C@H](NCc1n[nH]c(C)c1C)c1ccncc1 ZINC000885988412 646797478 /nfs/dbraw/zinc/79/74/78/646797478.db2.gz IMBAEQNFUAPWLW-AWEZNQCLSA-N 0 3 256.353 2.829 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccc[nH]2)CCC1 ZINC000886049469 646842266 /nfs/dbraw/zinc/84/22/66/646842266.db2.gz NAAMAIFTMZHIRM-HIFRSBDPSA-N 0 3 273.380 2.596 20 30 CFEDHN N#Cc1cccc(N2CCN(CC[C@@H]3C[C@H]3C3CC3)CC2)n1 ZINC000886134614 646888337 /nfs/dbraw/zinc/88/83/37/646888337.db2.gz XCWWZHKQBCFCJT-WBVHZDCISA-N 0 3 296.418 2.511 20 30 CFEDHN Cc1ccc2c(c1)CCN(C[C@H](O)CC1(C#N)CCC1)C2 ZINC000886167046 646904714 /nfs/dbraw/zinc/90/47/14/646904714.db2.gz YZAVQVADYYMAIZ-QGZVFWFLSA-N 0 3 284.403 2.798 20 30 CFEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354104 646982940 /nfs/dbraw/zinc/98/29/40/646982940.db2.gz VZVUZJUEWPGSAN-GJZGRUSLSA-N 0 3 270.376 2.667 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000886354106 646983380 /nfs/dbraw/zinc/98/33/80/646983380.db2.gz VZVUZJUEWPGSAN-LSDHHAIUSA-N 0 3 270.376 2.667 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000886357816 646986220 /nfs/dbraw/zinc/98/62/20/646986220.db2.gz MDHONRBXNLWZJJ-MRXNPFEDSA-N 0 3 296.414 2.527 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CCCC2(CC2)C1)C1CCN(C)CC1 ZINC000886573440 647051865 /nfs/dbraw/zinc/05/18/65/647051865.db2.gz IVXOHELWTRGFFL-OAHLLOKOSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C(=O)CC1(C)CCCC1)C1CCN(C)CC1 ZINC000886575750 647052334 /nfs/dbraw/zinc/05/23/34/647052334.db2.gz IXQPXEAXLAXBKG-UHFFFAOYSA-N 0 3 276.424 2.513 20 30 CFEDHN CC(C)[C@H](NCc1ccc(CC#N)cc1)c1cnn(C)c1 ZINC000886629920 647077075 /nfs/dbraw/zinc/07/70/75/647077075.db2.gz QPZQKYZXNUCSHS-KRWDZBQOSA-N 0 3 282.391 2.973 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886821714 647152562 /nfs/dbraw/zinc/15/25/62/647152562.db2.gz GHYUVJMTEZESEC-WBVHZDCISA-N 0 3 273.351 2.678 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1F ZINC000886821264 647152687 /nfs/dbraw/zinc/15/26/87/647152687.db2.gz AOLMGCSBIWPKNW-HIFRSBDPSA-N 0 3 274.339 2.698 20 30 CFEDHN CC(C)(NCCOCCC#N)c1ccc(F)cc1F ZINC000886896622 647170296 /nfs/dbraw/zinc/17/02/96/647170296.db2.gz PGEZAYYZMVXVEP-UHFFFAOYSA-N 0 3 268.307 2.720 20 30 CFEDHN N#Cc1cccc(CNCC2(C3(O)CCC3)CCC2)c1F ZINC000886979554 647187206 /nfs/dbraw/zinc/18/72/06/647187206.db2.gz OXDUIRZNNFJDSA-UHFFFAOYSA-N 0 3 288.366 2.872 20 30 CFEDHN C#CCC1(NCc2cc(O)ccc2Cl)CCOCC1 ZINC000887121148 647218113 /nfs/dbraw/zinc/21/81/13/647218113.db2.gz YMEOIJFDJMZYOB-UHFFFAOYSA-N 0 3 279.767 2.708 20 30 CFEDHN C#CCNC(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C ZINC000007804586 647869030 /nfs/dbraw/zinc/86/90/30/647869030.db2.gz GTMPWTWEFAYOIV-GOSISDBHSA-N 0 3 286.419 2.846 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccnn1C1CCC1 ZINC000926525073 648519664 /nfs/dbraw/zinc/51/96/64/648519664.db2.gz IHWDKAYACWSHQV-LNSITVRQSA-N 0 3 261.369 2.602 20 30 CFEDHN C[C@@H](NC[C@]1(C)CCCCO1)c1cc(C#N)ccn1 ZINC000927017703 648684662 /nfs/dbraw/zinc/68/46/62/648684662.db2.gz YXFACUSGDKZKMY-DOMZBBRYSA-N 0 3 259.353 2.563 20 30 CFEDHN N#Cc1ccc(NCCN[C@H]2CCCc3occc32)nc1 ZINC000927165740 648734541 /nfs/dbraw/zinc/73/45/41/648734541.db2.gz UDEPINLQLBGSKJ-AWEZNQCLSA-N 0 3 282.347 2.625 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H]1CCC2(COC2)O1 ZINC000929161705 648992594 /nfs/dbraw/zinc/99/25/94/648992594.db2.gz BOBZDZRSJGYVTG-INIZCTEOSA-N 0 3 273.376 2.623 20 30 CFEDHN N#CC1CCC(CN2CCN(Cc3ccccn3)CC2)CC1 ZINC000929197906 649000153 /nfs/dbraw/zinc/00/01/53/649000153.db2.gz KEZJLERZYYGKNB-UHFFFAOYSA-N 0 3 298.434 2.529 20 30 CFEDHN N#Cc1cc(Cl)cc(CN2CCN(CC3CC3)CC2)c1 ZINC000929291271 649025848 /nfs/dbraw/zinc/02/58/48/649025848.db2.gz NOLACTARSMEMNR-UHFFFAOYSA-N 0 3 289.810 2.739 20 30 CFEDHN CCOC(=O)/C=C\CN(Cc1ccc(C#N)cc1)C(C)C ZINC000929379670 649042610 /nfs/dbraw/zinc/04/26/10/649042610.db2.gz OUUZSKQCWMJOIZ-WAYWQWQTSA-N 0 3 286.375 2.888 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCN(C2CCCC2)CC1 ZINC000929913667 649149142 /nfs/dbraw/zinc/14/91/42/649149142.db2.gz PQCXYNPOJNKJCP-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN N#CC[C@@H](O)CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000930206645 649206397 /nfs/dbraw/zinc/20/63/97/649206397.db2.gz RAXCDMRGPOWSGZ-HZPDHXFCSA-N 0 3 276.355 2.921 20 30 CFEDHN N#CC1CCC(CN2CCc3ncsc3C2)CC1 ZINC000930250669 649214993 /nfs/dbraw/zinc/21/49/93/649214993.db2.gz FPRQOPGTWFMKQY-UHFFFAOYSA-N 0 3 261.394 2.831 20 30 CFEDHN C#Cc1ccc(NC(=O)CCN2CCC(F)(F)CC2)cc1 ZINC000930293742 649223901 /nfs/dbraw/zinc/22/39/01/649223901.db2.gz YACOBXVHFKWOBR-UHFFFAOYSA-N 0 3 292.329 2.728 20 30 CFEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(Oc2cccnc2)cc1 ZINC000930496359 649261373 /nfs/dbraw/zinc/26/13/73/649261373.db2.gz NBSNVWGPHJFQQK-UKRRQHHQSA-N 0 3 297.358 2.799 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(c2ccnc3ccccc32)CC1 ZINC000930610446 649286844 /nfs/dbraw/zinc/28/68/44/649286844.db2.gz CUIJIWHADUVSBI-OAHLLOKOSA-N 0 3 295.386 2.689 20 30 CFEDHN C=CCN(C[C@@H]1CC[C@@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930930424 649352020 /nfs/dbraw/zinc/35/20/20/649352020.db2.gz HJJJOFQSHRIICF-WOPDTQHZSA-N 0 3 281.318 2.619 20 30 CFEDHN C=CCN(C[C@](O)(CC)C(F)(F)F)C(C)(C)C ZINC000931016816 649364809 /nfs/dbraw/zinc/36/48/09/649364809.db2.gz INXZPKFPDSWMDS-LLVKDONJSA-N 0 3 253.308 2.976 20 30 CFEDHN C=CCC1(NCc2noc3c2COCC3)CCCC1 ZINC000931020217 649365636 /nfs/dbraw/zinc/36/56/36/649365636.db2.gz BNLQDGJDTKDQRH-UHFFFAOYSA-N 0 3 262.353 2.726 20 30 CFEDHN COC/C(C)=C\CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000931113689 649381615 /nfs/dbraw/zinc/38/16/15/649381615.db2.gz SXWVEAGTYGQUCG-RZNTYIFUSA-N 0 3 285.391 2.725 20 30 CFEDHN C#CC1(O)CCN(CCCc2ccccc2Cl)CC1 ZINC000931151166 649387725 /nfs/dbraw/zinc/38/77/25/649387725.db2.gz ONHMYUQGRLZTHY-UHFFFAOYSA-N 0 3 277.795 2.733 20 30 CFEDHN C[C@@H]1C[C@H](CN(C)[C@@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000931476181 649437779 /nfs/dbraw/zinc/43/77/79/649437779.db2.gz NQBYEOKRXDJLEF-VYDRJRHOSA-N 0 3 250.386 2.814 20 30 CFEDHN N#Cc1cncc(CNC2([C@@H]3CCCCO3)CCC2)c1 ZINC000931565805 649455705 /nfs/dbraw/zinc/45/57/05/649455705.db2.gz XRFALUPLDNPIHT-HNNXBMFYSA-N 0 3 271.364 2.535 20 30 CFEDHN C#CCN1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC000932419045 649596292 /nfs/dbraw/zinc/59/62/92/649596292.db2.gz GNRNZDGIMVGBNP-UHFFFAOYSA-N 0 3 296.370 2.767 20 30 CFEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CCN1C ZINC000932423291 649596849 /nfs/dbraw/zinc/59/68/49/649596849.db2.gz QWNICEADZPEBJO-MEDUHNTESA-N 0 3 298.390 2.650 20 30 CFEDHN CCOC(=O)[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000932637758 649632283 /nfs/dbraw/zinc/63/22/83/649632283.db2.gz CUMBRWRDYIQGBM-IUODEOHRSA-N 0 3 272.348 2.504 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CCC1 ZINC000933303652 649686337 /nfs/dbraw/zinc/68/63/37/649686337.db2.gz QUFJJJFCLIOBKC-GJZGRUSLSA-N 0 3 296.414 2.888 20 30 CFEDHN CN(CCC(C)(C)C#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933466434 649694928 /nfs/dbraw/zinc/69/49/28/649694928.db2.gz CNTYKDYCHCJWKS-CYBMUJFWSA-N 0 3 295.427 2.867 20 30 CFEDHN O=C1C=COC2(CCN(Cc3ccc(CF)cc3)CC2)C1 ZINC000933648761 649710610 /nfs/dbraw/zinc/71/06/10/649710610.db2.gz RPJLYCHVSBBRSF-UHFFFAOYSA-N 0 3 289.350 2.994 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933667741 649712729 /nfs/dbraw/zinc/71/27/29/649712729.db2.gz QHFNWLPTLSNPEI-HOTGVXAUSA-N 0 3 294.439 2.834 20 30 CFEDHN C=CC1(CC(=O)N2CCNC(C)(C)C2)CCCCC1 ZINC000934054585 649742480 /nfs/dbraw/zinc/74/24/80/649742480.db2.gz FQDPGSIMRKVGDD-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CCCCC1(NCC(=O)Nc2sccc2C#N)CC1 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C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccccc2F)C1 ZINC001086014366 782240646 /nfs/dbraw/zinc/24/06/46/782240646.db2.gz OESCNMMKQWEDKP-TXEJJXNPSA-N 0 3 296.773 2.676 20 30 CFEDHN C=CCCCCCCCN1CCN([C@@H]2CCOC2)CC1 ZINC001209438619 770089281 /nfs/dbraw/zinc/08/92/81/770089281.db2.gz PSMAOCSINHDCBX-QGZVFWFLSA-N 0 3 280.456 2.920 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1CCOCC ZINC001266856202 770680661 /nfs/dbraw/zinc/68/06/61/770680661.db2.gz LJXKIESKYIUCEG-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001267026764 770823667 /nfs/dbraw/zinc/82/36/67/770823667.db2.gz UNXYJPGHSMVHGP-HOTGVXAUSA-N 0 3 278.440 2.663 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1sccc1Cl ZINC001267241726 773250580 /nfs/dbraw/zinc/25/05/80/773250580.db2.gz IUVXACKUCIOVMJ-UHFFFAOYSA-N 0 3 272.801 2.639 20 30 CFEDHN C=CCN(C)Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC001233405658 777940397 /nfs/dbraw/zinc/94/03/97/777940397.db2.gz HUVYXJPWPGUSFN-UHFFFAOYSA-N 0 3 263.291 2.973 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033392850 780670535 /nfs/dbraw/zinc/67/05/35/780670535.db2.gz IDIWMKYCKWNDEN-NSHDSACASA-N 0 3 282.771 2.655 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033664791 780743702 /nfs/dbraw/zinc/74/37/02/780743702.db2.gz IBDNWDGPOMESTA-INIZCTEOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)c2c[nH]c3ccccc32)C1 ZINC001033887037 780817930 /nfs/dbraw/zinc/81/79/30/780817930.db2.gz FRJIJVQJJQFPNO-CQSZACIVSA-N 0 3 297.402 2.890 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896250 780819476 /nfs/dbraw/zinc/81/94/76/780819476.db2.gz GZOZRHYHXSYWEM-BZUAXINKSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034015961 780855143 /nfs/dbraw/zinc/85/51/43/780855143.db2.gz GMXRPEVXKAXDAS-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN CN1CC=C(Nc2ccc(C#N)c(Cl)c2F)CC1 ZINC001208930414 769968023 /nfs/dbraw/zinc/96/80/23/769968023.db2.gz PAGVXLJNGIXZBY-UHFFFAOYSA-N 0 3 265.719 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CC#CCN[C@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001266560081 770339802 /nfs/dbraw/zinc/33/98/02/770339802.db2.gz ZSUYUOFKJNXHBI-JKSUJKDBSA-N 0 3 294.414 2.509 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@@H](F)c1ccccc1 ZINC001167379200 770396754 /nfs/dbraw/zinc/39/67/54/770396754.db2.gz ACCQQALXHVPOND-ZDUSSCGKSA-N 0 3 284.762 2.546 20 30 CFEDHN C=C(C)CN(CCNC(=O)[C@@]12C[C@@H]1CCCC2)C1CC1 ZINC001266609732 770423103 /nfs/dbraw/zinc/42/31/03/770423103.db2.gz VWYOSQBDHLWISR-YOEHRIQHSA-N 0 3 276.424 2.723 20 30 CFEDHN CCCC1(C(=O)N(C)CCNCc2ccc(C#N)cc2)CC1 ZINC001266829603 770656051 /nfs/dbraw/zinc/65/60/51/770656051.db2.gz DPFCIJIFJHPFFU-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001266845475 770669318 /nfs/dbraw/zinc/66/93/18/770669318.db2.gz ZWHMOVOSDQATIP-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1c1ccccc1 ZINC001211534220 770813789 /nfs/dbraw/zinc/81/37/89/770813789.db2.gz VWEXVTBRAVVAJU-RYQLBKOJSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C[C@H](C)CCCCCC)C1 ZINC001267022766 770821816 /nfs/dbraw/zinc/82/18/16/770821816.db2.gz NYIUBPBJIPIGBY-CVEARBPZSA-N 0 3 278.440 2.807 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041944743 770834018 /nfs/dbraw/zinc/83/40/18/770834018.db2.gz VRXZFIZXLOUYLA-NEPJUHHUSA-N 0 3 294.782 2.655 20 30 CFEDHN CC(C)c1ccccc1CN(C)CCNC(=O)C#CC1CC1 ZINC001267194417 773199044 /nfs/dbraw/zinc/19/90/44/773199044.db2.gz OZKWFTZNXZVRRH-UHFFFAOYSA-N 0 3 298.430 2.771 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1c1ccccc1 ZINC001211562837 773208111 /nfs/dbraw/zinc/20/81/11/773208111.db2.gz DJXYDTAPEPZOLI-BPQIPLTHSA-N 0 3 298.430 2.640 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN(C)CCc1ccccc1 ZINC001267215326 773216744 /nfs/dbraw/zinc/21/67/44/773216744.db2.gz JQMQBWVSLDUYCP-GOSISDBHSA-N 0 3 288.435 2.879 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc(F)cc(Cl)c1 ZINC001267218685 773218691 /nfs/dbraw/zinc/21/86/91/773218691.db2.gz ABHZMSZYPNDCTH-UHFFFAOYSA-N 0 3 284.762 2.717 20 30 CFEDHN C=CCN(C)CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001267229251 773231006 /nfs/dbraw/zinc/23/10/06/773231006.db2.gz KLSOYLWURYANGZ-UHFFFAOYSA-N 0 3 285.391 2.632 20 30 CFEDHN C=CCC[C@H](C)[N@H+](CC)CCNC(=O)c1ccccc1[O-] ZINC001267235505 773239945 /nfs/dbraw/zinc/23/99/45/773239945.db2.gz CNNIXUALJIYREP-AWEZNQCLSA-N 0 3 290.407 2.799 20 30 CFEDHN C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1ccccc1[O-] ZINC001267235505 773239948 /nfs/dbraw/zinc/23/99/48/773239948.db2.gz CNNIXUALJIYREP-AWEZNQCLSA-N 0 3 290.407 2.799 20 30 CFEDHN Cc1nc(C)c(CN[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000724679510 773241414 /nfs/dbraw/zinc/24/14/14/773241414.db2.gz VOKMUQSDLMJPCP-SNVBAGLBSA-N 0 3 254.337 2.749 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)CC(C)(C)C ZINC001167664442 773248227 /nfs/dbraw/zinc/24/82/27/773248227.db2.gz OLAJDFMGROLJKV-LLVKDONJSA-N 0 3 274.836 2.907 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1CCOC(C)C ZINC001267276255 775141872 /nfs/dbraw/zinc/14/18/72/775141872.db2.gz ODJSAIZIYIWOCW-DOTOQJQBSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224428270 775183039 /nfs/dbraw/zinc/18/30/39/775183039.db2.gz TWLIRPVMGKJLDQ-NWANDNLSSA-N 0 3 251.370 2.554 20 30 CFEDHN C#CCN(CCC)CCNC(=O)c1cc(C(C)C)oc1C ZINC001267318786 775198070 /nfs/dbraw/zinc/19/80/70/775198070.db2.gz SFRFRDQWLXTBOG-UHFFFAOYSA-N 0 3 290.407 2.786 20 30 CFEDHN C=C(C)CN(CCNC(=O)c1cc(C)oc1C)C1CC1 ZINC001267322409 775202812 /nfs/dbraw/zinc/20/28/12/775202812.db2.gz ZCNNYTSVLAMWAC-UHFFFAOYSA-N 0 3 276.380 2.667 20 30 CFEDHN COc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c(C#N)c1 ZINC001137698066 775223654 /nfs/dbraw/zinc/22/36/54/775223654.db2.gz IHGRCYQYYWLHJK-BETUJISGSA-N 0 3 256.349 2.799 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCN2CC2CC2)CCCC1 ZINC001276986053 775229827 /nfs/dbraw/zinc/22/98/27/775229827.db2.gz PDLGPRDNDPDZFH-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN N#Cc1cncc(CN2CC[C@@H](c3ccccc3)C2)c1 ZINC000721571799 775254890 /nfs/dbraw/zinc/25/48/90/775254890.db2.gz JRVHWNGBSPANCE-QGZVFWFLSA-N 0 3 263.344 2.943 20 30 CFEDHN N#Cc1cncc(CN2CCc3ccccc3CC2)c1 ZINC000721573227 775265017 /nfs/dbraw/zinc/26/50/17/775265017.db2.gz SWNRFHAILCBDTE-UHFFFAOYSA-N 0 3 263.344 2.554 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)CCNCc1cccc(F)c1 ZINC001267412893 775314020 /nfs/dbraw/zinc/31/40/20/775314020.db2.gz TUSOEQRXJZPXBT-UHFFFAOYSA-N 0 3 292.398 2.976 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)CCNCc1cccnc1C ZINC001267412885 775314708 /nfs/dbraw/zinc/31/47/08/775314708.db2.gz SQCOLWHZEYXFHG-UHFFFAOYSA-N 0 3 289.423 2.540 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001224997624 775329106 /nfs/dbraw/zinc/32/91/06/775329106.db2.gz MNQRJCAKUYXEBE-LSDHHAIUSA-N 0 3 278.440 2.520 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001225191368 775362130 /nfs/dbraw/zinc/36/21/30/775362130.db2.gz OYKSDTURCIAVQG-MRXNPFEDSA-N 0 3 278.440 2.520 20 30 CFEDHN C=CCN[C@@H](CNC(=O)c1c(C)ccn1C)c1ccccc1 ZINC001267519793 775415336 /nfs/dbraw/zinc/41/53/36/775415336.db2.gz JCNZIMPFTCWCSH-INIZCTEOSA-N 0 3 297.402 2.580 20 30 CFEDHN N#Cc1ccc(OC2CCN(Cc3ccccc3)CC2)cn1 ZINC001225498016 775481220 /nfs/dbraw/zinc/48/12/20/775481220.db2.gz RDGSSLMEXYFASE-UHFFFAOYSA-N 0 3 293.370 2.997 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(F)F ZINC001025185619 775559213 /nfs/dbraw/zinc/55/92/13/775559213.db2.gz USAPHIDTHXBREB-OLZOCXBDSA-N 0 3 286.366 2.673 20 30 CFEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001025199444 775566605 /nfs/dbraw/zinc/56/66/05/775566605.db2.gz WPCWBNDAAZORCB-JKSUJKDBSA-N 0 3 288.391 2.925 20 30 CFEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001025199440 775567235 /nfs/dbraw/zinc/56/72/35/775567235.db2.gz WPCWBNDAAZORCB-HOTGVXAUSA-N 0 3 288.391 2.925 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220560 775575499 /nfs/dbraw/zinc/57/54/99/775575499.db2.gz HMSMAYAPKLKZQI-SJORKVTESA-N 0 3 286.419 2.575 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220558 775575588 /nfs/dbraw/zinc/57/55/88/775575588.db2.gz HMSMAYAPKLKZQI-IAGOWNOFSA-N 0 3 286.419 2.575 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001025264417 775582944 /nfs/dbraw/zinc/58/29/44/775582944.db2.gz ACTUBBWRBYAIKY-KBPBESRZSA-N 0 3 298.377 2.510 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292067 775588364 /nfs/dbraw/zinc/58/83/64/775588364.db2.gz FTOPZTUOPSMRGS-HOTGVXAUSA-N 0 3 290.451 2.901 20 30 CFEDHN C[C@H](Nc1ccc2c(n1)OCCNC2)c1cccc(C#N)c1 ZINC001167709428 775588879 /nfs/dbraw/zinc/58/88/79/775588879.db2.gz ZQABAJJIKYZGBC-LBPRGKRZSA-N 0 3 294.358 2.608 20 30 CFEDHN C=CCOCCN1CCC[C@@H](NC(=O)C=C(CC)CC)C1 ZINC001267611808 775669477 /nfs/dbraw/zinc/66/94/77/775669477.db2.gz KSDUAAJVWZLYMC-MRXNPFEDSA-N 0 3 294.439 2.516 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC001025525083 775690648 /nfs/dbraw/zinc/69/06/48/775690648.db2.gz XYUDDFVQCONOIA-DOTOQJQBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC001025611768 775709035 /nfs/dbraw/zinc/70/90/35/775709035.db2.gz PGAUXHNKUGZFAC-SJLPKXTDSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001267629832 775715929 /nfs/dbraw/zinc/71/59/29/775715929.db2.gz MKGVAEVDLHEVPL-INIZCTEOSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCCCCC(=O)N1CC[C@H](CN(C)C/C=C\Cl)C1 ZINC001267637530 775724789 /nfs/dbraw/zinc/72/47/89/775724789.db2.gz FEFMKKLWUIXUFJ-YYRKOSNBSA-N 0 3 296.842 2.713 20 30 CFEDHN CC(C)N1CC[C@H](Oc2nc(C3CC3)ccc2C#N)C1 ZINC001226262082 775760213 /nfs/dbraw/zinc/76/02/13/775760213.db2.gz DOYOFZZJRBWBOB-AWEZNQCLSA-N 0 3 271.364 2.692 20 30 CFEDHN C=CC(C)(C)C(=O)NCC1CN(CC/C=C\CC)C1 ZINC001267687690 775778608 /nfs/dbraw/zinc/77/86/08/775778608.db2.gz KVJIXVPLSUGVOV-FPLPWBNLSA-N 0 3 264.413 2.603 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H]1CCN1C[C@H](C)CC ZINC001038343355 775789077 /nfs/dbraw/zinc/78/90/77/775789077.db2.gz APWUFMMWDCWWOS-HUUCEWRRSA-N 0 3 289.423 2.524 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001267705531 775794408 /nfs/dbraw/zinc/79/44/08/775794408.db2.gz DKLLXPOIPZMJBL-RDBSUJKOSA-N 0 3 298.377 2.673 20 30 CFEDHN N#Cc1cccc(O)c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001226518575 775856650 /nfs/dbraw/zinc/85/66/50/775856650.db2.gz SLJOWWMVZWOVOK-INIZCTEOSA-N 0 3 294.354 2.917 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001267750443 775879087 /nfs/dbraw/zinc/87/90/87/775879087.db2.gz FQAKAJXGKJXRNC-LSDHHAIUSA-N 0 3 278.440 2.663 20 30 CFEDHN C#C[C@@H](COc1cccc(Cl)c1)Oc1ccnc(N)c1 ZINC001226654042 775904772 /nfs/dbraw/zinc/90/47/72/775904772.db2.gz WKVYLQVCPGDIKB-LBPRGKRZSA-N 0 3 288.734 2.777 20 30 CFEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)c1cc[nH]c1C ZINC001277157357 775976998 /nfs/dbraw/zinc/97/69/98/775976998.db2.gz XXQKTFWYHQEMQS-LLVKDONJSA-N 0 3 283.803 2.564 20 30 CFEDHN C=CCCCCCCN1CC2(C[C@H]2C(=O)N2CC=CC2)C1 ZINC001277159512 775986798 /nfs/dbraw/zinc/98/67/98/775986798.db2.gz INUOKBVITHZHPK-INIZCTEOSA-N 0 3 288.435 2.843 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@H]2CCCC23CC3)cc1 ZINC001267937862 776069387 /nfs/dbraw/zinc/06/93/87/776069387.db2.gz ALTFXXDWODYNPO-QGZVFWFLSA-N 0 3 296.414 2.606 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC001267938206 776070266 /nfs/dbraw/zinc/07/02/66/776070266.db2.gz OGRUXDUJWKLDIA-CQSZACIVSA-N 0 3 286.419 2.708 20 30 CFEDHN CCCCCCCN1CC[C@H]2C[C@]21C(=O)N(C)CCOC ZINC001277226450 776247624 /nfs/dbraw/zinc/24/76/24/776247624.db2.gz XFNDNEZQJPVRJF-DOTOQJQBSA-N 0 3 296.455 2.526 20 30 CFEDHN N#CC(C(=O)C=Cc1cccs1)C(=O)Nc1ccccn1 ZINC000125135364 776253535 /nfs/dbraw/zinc/25/35/35/776253535.db2.gz NHMHHABUKOEQMQ-SYTKJHMZSA-N 0 3 297.339 2.504 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(CCC)cc2)C1 ZINC001027549490 776353929 /nfs/dbraw/zinc/35/39/29/776353929.db2.gz FNYXYELFJZSAHR-SFHVURJKSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccsc2Cl)C1 ZINC001027602150 776376542 /nfs/dbraw/zinc/37/65/42/776376542.db2.gz MFDKISYZZOIDLY-LLVKDONJSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCNC1(CNC(=O)[C@@H](CCC=C)c2ccccc2)CC1 ZINC001277266759 776387414 /nfs/dbraw/zinc/38/74/14/776387414.db2.gz LJFCHONGCNNAMQ-KRWDZBQOSA-N 0 3 296.414 2.608 20 30 CFEDHN CCN1CC[C@@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084685 776390322 /nfs/dbraw/zinc/39/03/22/776390322.db2.gz QASFXEJJVYYLRD-GFCCVEGCSA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001027653854 776395989 /nfs/dbraw/zinc/39/59/89/776395989.db2.gz IWOOWRKRUSDLAC-SJLPKXTDSA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001027663007 776398531 /nfs/dbraw/zinc/39/85/31/776398531.db2.gz SZELVXHTMOTAMV-OAHLLOKOSA-N 0 3 290.794 2.510 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001228123323 776401818 /nfs/dbraw/zinc/40/18/18/776401818.db2.gz OEMFLHAORDYMGO-MGPQQGTHSA-N 0 3 270.392 2.575 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(C)c(C)s2)C1 ZINC001027674230 776404993 /nfs/dbraw/zinc/40/49/93/776404993.db2.gz RZMFSLPKBBUESN-CQSZACIVSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001027699259 776412763 /nfs/dbraw/zinc/41/27/63/776412763.db2.gz BPDRTDKJWXFILS-UYSNPLJNSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001027698057 776413908 /nfs/dbraw/zinc/41/39/08/776413908.db2.gz BPWHKPYTMGJQML-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1cccs1 ZINC001027732132 776433071 /nfs/dbraw/zinc/43/30/71/776433071.db2.gz JDNWYZRIDFWFOY-LBPRGKRZSA-N 0 3 264.394 2.518 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)/C=C/C(C)(C)C)CC2 ZINC001268044004 776454742 /nfs/dbraw/zinc/45/47/42/776454742.db2.gz RBQYZBBJJOZPKX-BQYQJAHWSA-N 0 3 288.435 2.536 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001027856283 776479351 /nfs/dbraw/zinc/47/93/51/776479351.db2.gz KJTXPCVPXQRMDE-CYBMUJFWSA-N 0 3 276.380 2.612 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001027969090 776534527 /nfs/dbraw/zinc/53/45/27/776534527.db2.gz GGSRNKRTJVKQER-WMZOPIPTSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001028049785 776572578 /nfs/dbraw/zinc/57/25/78/776572578.db2.gz KXZZPPYRZOBFKB-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001268112286 776610940 /nfs/dbraw/zinc/61/09/40/776610940.db2.gz MDGANIGKCLVKQA-WBVHZDCISA-N 0 3 278.440 2.807 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001028159687 776671377 /nfs/dbraw/zinc/67/13/77/776671377.db2.gz WFBHJUOCFIHWJO-INIZCTEOSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001028205083 776707876 /nfs/dbraw/zinc/70/78/76/776707876.db2.gz GUVIUNWHJYJGTC-CQSZACIVSA-N 0 3 297.402 2.559 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001268240389 776716898 /nfs/dbraw/zinc/71/68/98/776716898.db2.gz JUVBFOMFWRKOHG-MRXNPFEDSA-N 0 3 276.424 2.536 20 30 CFEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC=C ZINC001277359749 776734002 /nfs/dbraw/zinc/73/40/02/776734002.db2.gz HRPGYAOEUQLUHG-CVEARBPZSA-N 0 3 288.435 2.677 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)CCC ZINC001268350873 776759645 /nfs/dbraw/zinc/75/96/45/776759645.db2.gz RFPZNKCFSMJCOB-PWSUYJOCSA-N 0 3 260.809 2.660 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCNCc1conc1C ZINC001268395285 776782812 /nfs/dbraw/zinc/78/28/12/776782812.db2.gz AIXLNMZQOKYTLZ-LRDDRELGSA-N 0 3 293.411 2.570 20 30 CFEDHN C=CCc1ccc(O)c(OC2CCN(CCOC)CC2)c1 ZINC001229339177 776785498 /nfs/dbraw/zinc/78/54/98/776785498.db2.gz VXLUBJSHQRSDHC-UHFFFAOYSA-N 0 3 291.391 2.610 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001028276303 776787999 /nfs/dbraw/zinc/78/79/99/776787999.db2.gz IXYYAEDLBCCLGV-CYBMUJFWSA-N 0 3 290.794 2.558 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280505 776800750 /nfs/dbraw/zinc/80/07/50/776800750.db2.gz NUDOBEMVKOHBCZ-MRXNPFEDSA-N 0 3 272.392 2.765 20 30 CFEDHN O=C1C=C[C@H](Oc2cccc(CN3CCCCC3)c2)C1 ZINC001229448072 776816533 /nfs/dbraw/zinc/81/65/33/776816533.db2.gz AOACBKNPPWEQRK-KRWDZBQOSA-N 0 3 271.360 2.949 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028286633 776825199 /nfs/dbraw/zinc/82/51/99/776825199.db2.gz XDIWEKZLTUYIRI-MRXNPFEDSA-N 0 3 272.392 2.684 20 30 CFEDHN C[C@H]1CCN(Cc2cc(F)cc(C#N)c2)CC[C@@]1(C)O ZINC001139873604 776833556 /nfs/dbraw/zinc/83/35/56/776833556.db2.gz XVENJTPELWLPLH-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001028294075 776837965 /nfs/dbraw/zinc/83/79/65/776837965.db2.gz UIZGYOHSMMYDTB-OFLPRAFFSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028308674 776850843 /nfs/dbraw/zinc/85/08/43/776850843.db2.gz KDUZGJBRBCYMFR-QGZVFWFLSA-N 0 3 284.403 2.556 20 30 CFEDHN C=C1O[C@H](C)C(=O)C1Oc1cccc([C@H](C)N(C)C)c1 ZINC001229627374 776858975 /nfs/dbraw/zinc/85/89/75/776858975.db2.gz PRWZADGYWYDKOC-WDEREUQCSA-N 0 3 275.348 2.907 20 30 CFEDHN CN1CCC[C@@H](Oc2ccc(N=C3C=CC(=O)C=C3)cc2)C1 ZINC001229696156 776874673 /nfs/dbraw/zinc/87/46/73/776874673.db2.gz JYZOFTBODDAIHA-GOSISDBHSA-N 0 3 296.370 2.927 20 30 CFEDHN C#CCNCCN(CC)C(=O)C[C@H]1CCCc2ccccc21 ZINC001268493289 776894071 /nfs/dbraw/zinc/89/40/71/776894071.db2.gz LBHRDVMAGJKZGR-QGZVFWFLSA-N 0 3 298.430 2.568 20 30 CFEDHN CC#CCNC/C=C\CNC(=O)c1ccccc1CCC ZINC001268567023 776936070 /nfs/dbraw/zinc/93/60/70/776936070.db2.gz ZHTCTBURUADGFB-HJWRWDBZSA-N 0 3 284.403 2.538 20 30 CFEDHN C=C1CCC(C(=O)NC/C=C/CNCc2cccnc2)CC1 ZINC001268588203 776966291 /nfs/dbraw/zinc/96/62/91/776966291.db2.gz PEGDXFFALJSQFM-NSCUHMNNSA-N 0 3 299.418 2.590 20 30 CFEDHN CN1CCC[C@H](Oc2cccc(Br)c2C#N)C1 ZINC001230321336 776979177 /nfs/dbraw/zinc/97/91/77/776979177.db2.gz KHHMIAJANICYFN-JTQLQIEISA-N 0 3 295.180 2.794 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001075674102 776995650 /nfs/dbraw/zinc/99/56/50/776995650.db2.gz OPOBEOCCYVSUCB-JKSUJKDBSA-N 0 3 274.408 2.596 20 30 CFEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)C[C@@H](C)C1CC1 ZINC001268673512 777016050 /nfs/dbraw/zinc/01/60/50/777016050.db2.gz HDNMNLIFVVQKLU-HZPDHXFCSA-N 0 3 298.430 2.569 20 30 CFEDHN C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)C=C1CCC1 ZINC001268722985 777033515 /nfs/dbraw/zinc/03/35/15/777033515.db2.gz CUVDZNPQWGBIED-AWEZNQCLSA-N 0 3 297.402 2.605 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1conc1C1CCCC1 ZINC001268733930 777037724 /nfs/dbraw/zinc/03/77/24/777037724.db2.gz NZYDQIZQSKLROG-LBPRGKRZSA-N 0 3 291.395 2.568 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)COCC ZINC001230691357 777045174 /nfs/dbraw/zinc/04/51/74/777045174.db2.gz CRBOMSATAMMKFW-HNNXBMFYSA-N 0 3 284.444 2.526 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001268760288 777048542 /nfs/dbraw/zinc/04/85/42/777048542.db2.gz UHBLAVQSHZSYDR-CQSZACIVSA-N 0 3 297.402 2.918 20 30 CFEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001277465147 777055105 /nfs/dbraw/zinc/05/51/05/777055105.db2.gz MNZTXDZPECKCCX-IYICPGQYSA-N 0 3 288.435 2.681 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230753808 777057929 /nfs/dbraw/zinc/05/79/29/777057929.db2.gz ZVDOTXDPAZYERE-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001230751917 777057983 /nfs/dbraw/zinc/05/79/83/777057983.db2.gz ANCKAQNWKMZLDC-HIFRSBDPSA-N 0 3 276.380 2.781 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230788154 777063328 /nfs/dbraw/zinc/06/33/28/777063328.db2.gz KWKTVBWYFWGABI-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccc(F)cc1C ZINC001268920400 777073516 /nfs/dbraw/zinc/07/35/16/777073516.db2.gz OYDHHRKOCDPNJQ-UHFFFAOYSA-N 0 3 298.789 2.938 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001269113236 777103675 /nfs/dbraw/zinc/10/36/75/777103675.db2.gz PVIMIMJBAQKQSW-QGZVFWFLSA-N 0 3 286.419 2.960 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@@H]1CCN(CC=C(C)C)C1 ZINC001269134034 777110633 /nfs/dbraw/zinc/11/06/33/777110633.db2.gz CNATZAIEHRAASP-CQSZACIVSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1ccoc1C ZINC001269194800 777135518 /nfs/dbraw/zinc/13/55/18/777135518.db2.gz JVQAZMZRHPEJFK-JSGCOSHPSA-N 0 3 276.380 2.747 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001269186616 777135919 /nfs/dbraw/zinc/13/59/19/777135919.db2.gz CIYBLJXDKNFWTR-VXGBXAGGSA-N 0 3 292.345 2.732 20 30 CFEDHN CCCCCCCN1CC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001269215105 777141367 /nfs/dbraw/zinc/14/13/67/777141367.db2.gz NGQCKRCXJYLKRN-HOTGVXAUSA-N 0 3 296.455 2.716 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001028673677 777141497 /nfs/dbraw/zinc/14/14/97/777141497.db2.gz JDWDKRQLGPFIRQ-QGZVFWFLSA-N 0 3 298.430 2.714 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001269220978 777142644 /nfs/dbraw/zinc/14/26/44/777142644.db2.gz DVIXWEGSZAMQNF-IUCKJTJTSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)CCC(=O)NC[C@@H]1CCN1CCCCC ZINC001269240142 777148250 /nfs/dbraw/zinc/14/82/50/777148250.db2.gz HYBBTUSTSSDBFS-AWEZNQCLSA-N 0 3 252.402 2.723 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C(C)(C)C(F)(F)F ZINC001269330971 777172632 /nfs/dbraw/zinc/17/26/32/777172632.db2.gz HIKHFHCADPSOEF-NSHDSACASA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231261814 777177448 /nfs/dbraw/zinc/17/74/48/777177448.db2.gz ATJSSYRLJPJIKH-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001277502802 777181122 /nfs/dbraw/zinc/18/11/22/777181122.db2.gz SAQWVBUYIRTRBP-WMZOPIPTSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN(C)CCN(C(=O)c1ccccc1C)C(C)C ZINC001284528657 777201067 /nfs/dbraw/zinc/20/10/67/777201067.db2.gz WSYHOVKNQCBHBR-UHFFFAOYSA-N 0 3 286.419 2.801 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001231376357 777205651 /nfs/dbraw/zinc/20/56/51/777205651.db2.gz CNJFDSQWDUCGNP-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN CC#CCCCC(=O)N[C@]1(CNCCF)CCCC[C@@H]1C ZINC001269670382 777228154 /nfs/dbraw/zinc/22/81/54/777228154.db2.gz KIQRJOUPGJQHPF-RDJZCZTQSA-N 0 3 296.430 2.804 20 30 CFEDHN CC#CCN1CC[C@@]2(CCN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001269741741 777239835 /nfs/dbraw/zinc/23/98/35/777239835.db2.gz OQSDIBMWONAZTR-SJLPKXTDSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCOc1cccc(CN2CC(N3CCCC3)C2)c1 ZINC001231623722 777282038 /nfs/dbraw/zinc/28/20/38/777282038.db2.gz ROZNJQZTDFKHQC-UHFFFAOYSA-N 0 3 272.392 2.531 20 30 CFEDHN C=CCOc1cccc(CN2CC([C@H](C)OC)C2)c1 ZINC001231624659 777283116 /nfs/dbraw/zinc/28/31/16/777283116.db2.gz SYJYUKBQDVQMJF-ZDUSSCGKSA-N 0 3 261.365 2.718 20 30 CFEDHN C=CCOc1cccc(CN2CCC(n3cnnc3)CC2)c1 ZINC001231624044 777283171 /nfs/dbraw/zinc/28/31/71/777283171.db2.gz DWRHXDUDMVNHBM-UHFFFAOYSA-N 0 3 298.390 2.680 20 30 CFEDHN C#Cc1cccc(CN2CCC(C)(C(=O)OCC)CC2)c1 ZINC001231662828 777299731 /nfs/dbraw/zinc/29/97/31/777299731.db2.gz JCMOKRZOEKYYSM-UHFFFAOYSA-N 0 3 285.387 2.833 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@](C)(C=C)CC)cc1 ZINC001270075187 777304034 /nfs/dbraw/zinc/30/40/34/777304034.db2.gz BZGKYARLWGGKMT-GOSISDBHSA-N 0 3 284.403 2.628 20 30 CFEDHN CCN1CCC[C@@H](Oc2c(CC#N)cccc2OC)C1 ZINC001225841751 777309171 /nfs/dbraw/zinc/30/91/71/777309171.db2.gz JTEOZEQDIMKMGB-CQSZACIVSA-N 0 3 274.364 2.624 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC001028946329 777335217 /nfs/dbraw/zinc/33/52/17/777335217.db2.gz HCYBVLLGSJHFHS-OAHLLOKOSA-N 0 3 292.382 2.525 20 30 CFEDHN C#CCN(C(=O)[C@H](C)[C@@H](C)CC)C1CCN(CC=C)CC1 ZINC001270350869 777360978 /nfs/dbraw/zinc/36/09/78/777360978.db2.gz BZNVRIXNUUAHBZ-JKSUJKDBSA-N 0 3 290.451 2.781 20 30 CFEDHN C=CCC[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001270366466 777363763 /nfs/dbraw/zinc/36/37/63/777363763.db2.gz ZIOAKTBDFWMHFT-KBPBESRZSA-N 0 3 290.407 2.702 20 30 CFEDHN N#C[C@H]1CCCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232016014 777413818 /nfs/dbraw/zinc/41/38/18/777413818.db2.gz QOCHGIPUQOZJJH-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN COC[C@H]1CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112366 777443976 /nfs/dbraw/zinc/44/39/76/777443976.db2.gz UJBFYIYZFWVTCF-LBPRGKRZSA-N 0 3 264.756 2.680 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](CC)SC)C(C)(C)C1 ZINC001281547029 777488100 /nfs/dbraw/zinc/48/81/00/777488100.db2.gz PFRROAKFFCQVEJ-STQMWFEESA-N 0 3 284.469 2.531 20 30 CFEDHN C#C[C@@H]1CCC[N@@H+](Cc2ccc([O-])c3ncccc23)C1 ZINC001232276365 777505406 /nfs/dbraw/zinc/50/54/06/777505406.db2.gz USHSZCISZLNNRB-CYBMUJFWSA-N 0 3 266.344 2.786 20 30 CFEDHN C#C[C@@H]1CCC[N@H+](Cc2ccc([O-])c3ncccc23)C1 ZINC001232276365 777505410 /nfs/dbraw/zinc/50/54/10/777505410.db2.gz USHSZCISZLNNRB-CYBMUJFWSA-N 0 3 266.344 2.786 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087496350 777514502 /nfs/dbraw/zinc/51/45/02/777514502.db2.gz WGXFFHSJVPWMAT-UONOGXRCSA-N 0 3 278.421 2.907 20 30 CFEDHN C#CCN1CCC(C)(CNC(=O)c2cscc2C)CC1 ZINC001270874527 777560484 /nfs/dbraw/zinc/56/04/84/777560484.db2.gz LXWRPKJBPNZMNV-UHFFFAOYSA-N 0 3 290.432 2.522 20 30 CFEDHN C=CCCC(=O)N(C)[C@H](C)CNCc1c(C)nsc1C ZINC001270914354 777602120 /nfs/dbraw/zinc/60/21/20/777602120.db2.gz OSDMFTNNLMGNLO-LLVKDONJSA-N 0 3 295.452 2.663 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)CCCC)[C@H](OC)C1 ZINC001211875856 777618715 /nfs/dbraw/zinc/61/87/15/777618715.db2.gz SJDJQYIIZDIQSK-HZPDHXFCSA-N 0 3 298.471 2.962 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1CC ZINC001087537652 777626937 /nfs/dbraw/zinc/62/69/37/777626937.db2.gz NZVDPYIFPVYHNJ-DLBZAZTESA-N 0 3 288.435 2.869 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H](C)CNCc1cccnc1 ZINC001271058764 777639360 /nfs/dbraw/zinc/63/93/60/777639360.db2.gz DPLJDNFYTHTLOS-CQSZACIVSA-N 0 3 289.423 2.620 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001038103030 777646496 /nfs/dbraw/zinc/64/64/96/777646496.db2.gz GPYRHXYQPWGADR-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C#N)s1)C2 ZINC001232843265 777689980 /nfs/dbraw/zinc/68/99/80/777689980.db2.gz USYRWWWJHSDMEM-DOMZBBRYSA-N 0 3 276.405 2.868 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1CC ZINC001087785800 777699069 /nfs/dbraw/zinc/69/90/69/777699069.db2.gz WZOXVZMAVJLRFE-QLFBSQMISA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1CC ZINC001087791618 777699789 /nfs/dbraw/zinc/69/97/89/777699789.db2.gz QWKVZDONAXZOJK-VNQPRFMTSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1CC ZINC001087802917 777700322 /nfs/dbraw/zinc/70/03/22/777700322.db2.gz RLTXUKJAYQDPEB-YHUYYLMFSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1CC ZINC001087840768 777716998 /nfs/dbraw/zinc/71/69/98/777716998.db2.gz NESSPAFXQSQWFD-GADNRMJZSA-N 0 3 290.451 2.968 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](C)CC)[C@H](OC)C1 ZINC001211882250 777723779 /nfs/dbraw/zinc/72/37/79/777723779.db2.gz BLNPNKHRPXBNCQ-ARFHVFGLSA-N 0 3 298.471 2.818 20 30 CFEDHN Cc1ccc(CN2CC(N3CCCCC3)C2)c(C#N)c1 ZINC001232967797 777742990 /nfs/dbraw/zinc/74/29/90/777742990.db2.gz WQNHBBAKEJHHDK-UHFFFAOYSA-N 0 3 269.392 2.537 20 30 CFEDHN Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)c(C#N)c1 ZINC001232967327 777743231 /nfs/dbraw/zinc/74/32/31/777743231.db2.gz INYNIBJUQWEASL-QGZVFWFLSA-N 0 3 270.376 2.869 20 30 CFEDHN CN(Cc1cccc(C#N)c1)Cc1cc(Cl)ncc1O ZINC001233038405 777771624 /nfs/dbraw/zinc/77/16/24/777771624.db2.gz UKNZRIZEKTUBSR-UHFFFAOYSA-N 0 3 287.750 2.944 20 30 CFEDHN CSc1nc(CN2C[C@@H]3CCC[C@@H]3C2)ccc1C#N ZINC001141929053 777789991 /nfs/dbraw/zinc/78/99/91/777789991.db2.gz JPURBEVPBIDJAU-BETUJISGSA-N 0 3 273.405 2.907 20 30 CFEDHN CCC(=O)N[C@H](CNCC#Cc1ccccc1)CC(C)C ZINC001271238747 777808607 /nfs/dbraw/zinc/80/86/07/777808607.db2.gz RYKIEXCAGLBAAO-KRWDZBQOSA-N 0 3 286.419 2.569 20 30 CFEDHN C=CCN[C@@H](CNC(=O)c1ccc[nH]1)c1ccccc1CC ZINC001271439282 777855327 /nfs/dbraw/zinc/85/53/27/777855327.db2.gz QRZLGBJJYVEGLO-KRWDZBQOSA-N 0 3 297.402 2.824 20 30 CFEDHN CCC(=O)N1CCC[C@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001271684003 777904645 /nfs/dbraw/zinc/90/46/45/777904645.db2.gz AMHBTLJIHRFUOC-WMZOPIPTSA-N 0 3 298.430 2.665 20 30 CFEDHN Nc1ccc(CN2CCC(S)CC2)c(Cl)c1 ZINC001233376333 777921588 /nfs/dbraw/zinc/92/15/88/777921588.db2.gz CWAZKCYDOFZABA-UHFFFAOYSA-N 0 3 256.802 2.816 20 30 CFEDHN CN1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(C(=O)CC#N)cc1 ZINC001233522631 777976573 /nfs/dbraw/zinc/97/65/73/777976573.db2.gz LIIAYIFYNMNZPE-HWWDLCQESA-N 0 3 298.386 2.892 20 30 CFEDHN C#CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(C)C ZINC001271944401 778026505 /nfs/dbraw/zinc/02/65/05/778026505.db2.gz GSBGIPHQNJZIMI-QGZVFWFLSA-N 0 3 284.403 2.521 20 30 CFEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cncc(C)c3)C2)C1 ZINC001040139337 778078725 /nfs/dbraw/zinc/07/87/25/778078725.db2.gz ZTEGSXAENJSHMZ-GOSISDBHSA-N 0 3 299.418 2.504 20 30 CFEDHN C=CCN(Cc1ccc2c(n1)OCCO2)C(C)(C)C ZINC001233894751 778108300 /nfs/dbraw/zinc/10/83/00/778108300.db2.gz MSFUQVQZPNKRQW-UHFFFAOYSA-N 0 3 262.353 2.639 20 30 CFEDHN N#Cc1cc(O[C@@H]2CN3CCC2CC3)ccc1Cl ZINC001233922277 778114006 /nfs/dbraw/zinc/11/40/06/778114006.db2.gz CAWJMSPMPWRFKS-CQSZACIVSA-N 0 3 262.740 2.685 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001233965666 778125696 /nfs/dbraw/zinc/12/56/96/778125696.db2.gz CXNFMUKSIVYGPS-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN CC(C)(C)[NH+]1CCC(Oc2cc([O-])cc(C#N)c2)CC1 ZINC001234144604 778175161 /nfs/dbraw/zinc/17/51/61/778175161.db2.gz QZOANVGPOKSKSP-UHFFFAOYSA-N 0 3 274.364 2.906 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)C[C@@H]1CCN1CCC ZINC001234276657 778199947 /nfs/dbraw/zinc/19/99/47/778199947.db2.gz SNWHZLZOSLRWBU-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001272049421 778224828 /nfs/dbraw/zinc/22/48/28/778224828.db2.gz QBBBJAZSAZEPNU-OAHLLOKOSA-N 0 3 264.413 2.699 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cnn(CC3CCC3)c2)C1 ZINC000897432599 778227426 /nfs/dbraw/zinc/22/74/26/778227426.db2.gz OUVSDCGJZCXXSI-HOCLYGCPSA-N 0 3 272.396 2.855 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CC[C@@H](C)F ZINC001234614983 778266715 /nfs/dbraw/zinc/26/67/15/778266715.db2.gz WRGDUZXXRQAWST-ZIAGYGMSSA-N 0 3 270.392 2.624 20 30 CFEDHN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCCCCOC ZINC001234624600 778268502 /nfs/dbraw/zinc/26/85/02/778268502.db2.gz FHJBOZNZTSQKTB-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN C=C[C@@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657709 778280015 /nfs/dbraw/zinc/28/00/15/778280015.db2.gz GRQUUGRHCGPFOJ-CQSZACIVSA-N 0 3 260.381 2.782 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC001088598082 778315176 /nfs/dbraw/zinc/31/51/76/778315176.db2.gz UBMJMCSUTPSVIV-WBVHZDCISA-N 0 3 286.419 2.611 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001272117178 778358152 /nfs/dbraw/zinc/35/81/52/778358152.db2.gz CFTPQSIZRRAKSM-ZSHCYNCHSA-N 0 3 278.440 2.779 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001272178696 778367662 /nfs/dbraw/zinc/36/76/62/778367662.db2.gz OQHWSDSNFUCUSC-INIZCTEOSA-N 0 3 264.413 2.699 20 30 CFEDHN C[C@H](c1ccccc1)N(CCO)CC1(CC#N)CC1 ZINC001168283310 778393368 /nfs/dbraw/zinc/39/33/68/778393368.db2.gz AAKSTVYXBMCFER-CQSZACIVSA-N 0 3 258.365 2.736 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC000989628690 778421138 /nfs/dbraw/zinc/42/11/38/778421138.db2.gz JQSMNBNTTZCSDS-SWLSCSKDSA-N 0 3 298.411 2.727 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235227390 778422162 /nfs/dbraw/zinc/42/21/62/778422162.db2.gz UBZUDIFAUXCASX-CHWSQXEVSA-N 0 3 288.382 2.777 20 30 CFEDHN CCCCCCC/C=C/CN1C[C@@H]2COC[C@H](C1)N2 ZINC001235301022 778449458 /nfs/dbraw/zinc/44/94/58/778449458.db2.gz XGXCIHYICYMTSR-KZQNYRHTSA-N 0 3 266.429 2.576 20 30 CFEDHN CCCCCCC/C=C/CN1C[C@H]2CNC[C@@H](C1)O2 ZINC001235339439 778460157 /nfs/dbraw/zinc/46/01/57/778460157.db2.gz VIBUQAAAPJYPAQ-KZQNYRHTSA-N 0 3 266.429 2.576 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038483289 778461346 /nfs/dbraw/zinc/46/13/46/778461346.db2.gz FALRKOIKVQGXFC-AWEZNQCLSA-N 0 3 276.355 2.514 20 30 CFEDHN CC(C)(C)C#CC(=O)NCCNCc1ccc(Cl)s1 ZINC001126893550 778525954 /nfs/dbraw/zinc/52/59/54/778525954.db2.gz ROXKGISWSLHWDW-UHFFFAOYSA-N 0 3 298.839 2.657 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235761561 778553451 /nfs/dbraw/zinc/55/34/51/778553451.db2.gz TWYZDYUJJVGFSZ-JKSUJKDBSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001076095697 778565648 /nfs/dbraw/zinc/56/56/48/778565648.db2.gz JFTMLWPZYBFKCZ-ZWKOTPCHSA-N 0 3 298.430 2.646 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076208873 778575949 /nfs/dbraw/zinc/57/59/49/778575949.db2.gz OETBHJIFQMIUBY-QLFBSQMISA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)[C@@H]2C1 ZINC001076288768 778581541 /nfs/dbraw/zinc/58/15/41/778581541.db2.gz MVWSYJWLVPKUDB-UONOGXRCSA-N 0 3 298.377 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001076483518 778591061 /nfs/dbraw/zinc/59/10/61/778591061.db2.gz CUASYOSVIXICAO-HYVNUMGLSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C=C1CCC1 ZINC001099016333 778913352 /nfs/dbraw/zinc/91/33/52/778913352.db2.gz KBDIADWETKXHOT-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1C ZINC001088875217 778929426 /nfs/dbraw/zinc/92/94/26/778929426.db2.gz XAZQFRSSRYKSCN-DOMZBBRYSA-N 0 3 283.375 2.547 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1C ZINC001088886041 778937199 /nfs/dbraw/zinc/93/71/99/778937199.db2.gz AFKMHLDROAYFMK-KBMXLJTQSA-N 0 3 290.382 2.852 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CCC[C@]1(C)O ZINC001232844514 778982828 /nfs/dbraw/zinc/98/28/28/778982828.db2.gz RZBRLYWOCNCBGO-RISCZKNCSA-N 0 3 264.394 2.603 20 30 CFEDHN C=CCCCCCN1CCNC[C@H]1C(F)(F)F ZINC001236974912 778986702 /nfs/dbraw/zinc/98/67/02/778986702.db2.gz GPCDCHSLZVPQBI-NSHDSACASA-N 0 3 250.308 2.569 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)[C@H]1C ZINC001089071787 778987678 /nfs/dbraw/zinc/98/76/78/778987678.db2.gz UTCLBASSTQOIBH-LTDKPHRXSA-N 0 3 298.430 2.945 20 30 CFEDHN CCOc1ccc(C[NH+]2CCC(S)CC2)c([O-])c1 ZINC001237042824 778995805 /nfs/dbraw/zinc/99/58/05/778995805.db2.gz KGVSGUMBFVOTCK-UHFFFAOYSA-N 0 3 267.394 2.685 20 30 CFEDHN Cn1cc(CN2CC[C@@H]3OCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237473891 779116549 /nfs/dbraw/zinc/11/65/49/779116549.db2.gz YEFYHSNIDJUQSA-KDOFPFPSSA-N 0 3 295.386 2.661 20 30 CFEDHN CCCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272470754 779116491 /nfs/dbraw/zinc/11/64/91/779116491.db2.gz KAHZZMMRGVIEAW-QGZVFWFLSA-N 0 3 291.439 2.937 20 30 CFEDHN CC(=O)N[C@H]1CCN(CC#Cc2ccccc2)CC(C)(C)C1 ZINC001089286181 779132656 /nfs/dbraw/zinc/13/26/56/779132656.db2.gz WYYYZYZPXRDYOI-SFHVURJKSA-N 0 3 298.430 2.665 20 30 CFEDHN CN(Cc1cn2cc(C#N)ccc2n1)CC(C)(C)C ZINC001237615662 779143959 /nfs/dbraw/zinc/14/39/59/779143959.db2.gz YHWCCXSZOMDVQY-UHFFFAOYSA-N 0 3 256.353 2.684 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C)CC(C)(C)C1 ZINC001089306277 779187579 /nfs/dbraw/zinc/18/75/79/779187579.db2.gz LOAJXIHVEHATAC-MRXNPFEDSA-N 0 3 298.430 2.849 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000176529042 779217037 /nfs/dbraw/zinc/21/70/37/779217037.db2.gz SFFPVRZLJFPYCD-CQSZACIVSA-N 0 3 286.331 2.699 20 30 CFEDHN CC(C)Oc1cncc(C(=O)C(C#N)c2cccc(F)n2)c1 ZINC001122717925 779286821 /nfs/dbraw/zinc/28/68/21/779286821.db2.gz PXNTZJSKIXTOOV-CYBMUJFWSA-N 0 3 299.305 2.893 20 30 CFEDHN COc1cc(CN2CC[C@@]3(C2)CCCCO3)ccc1C#N ZINC001238409497 779307954 /nfs/dbraw/zinc/30/79/54/779307954.db2.gz GVSSGYXFTXUSEI-QGZVFWFLSA-N 0 3 286.375 2.712 20 30 CFEDHN Cn1c(Cl)cnc1C(C#N)C(=O)CCCCCC#N ZINC001123233310 779362243 /nfs/dbraw/zinc/36/22/43/779362243.db2.gz IXICZOGTQBIFNN-JTQLQIEISA-N 0 3 278.743 2.724 20 30 CFEDHN CCc1cc(CN2CCC(n3cnnc3)CC2)ccc1C#N ZINC001238767355 779385478 /nfs/dbraw/zinc/38/54/78/779385478.db2.gz ASNOACPBHXLXKA-UHFFFAOYSA-N 0 3 295.390 2.549 20 30 CFEDHN CCc1cc(CN2CCC[C@@](F)(CO)CC2)ccc1C#N ZINC001238766524 779386050 /nfs/dbraw/zinc/38/60/50/779386050.db2.gz OHCWQNIXBPQLCU-KRWDZBQOSA-N 0 3 290.382 2.807 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)CC(C)(C)C1 ZINC001089385008 779448968 /nfs/dbraw/zinc/44/89/68/779448968.db2.gz WUDWNDWNAFTZTO-INIZCTEOSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464918 779489553 /nfs/dbraw/zinc/48/95/53/779489553.db2.gz MBECZAMRANYPSI-LSDHHAIUSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCCOC(=O)N1CCC2(CC1)CNCCO2 ZINC001239328762 779517768 /nfs/dbraw/zinc/51/77/68/779517768.db2.gz LMIUGEIXYCPIJM-UHFFFAOYSA-N 0 3 298.427 2.548 20 30 CFEDHN CCCCCCCCCOC(=O)N1C[C@@H](N)[C@@H](F)C1 ZINC001239334119 779524018 /nfs/dbraw/zinc/52/40/18/779524018.db2.gz ARVIWUYUYVZHJM-QWHCGFSZSA-N 0 3 274.380 2.855 20 30 CFEDHN CCCCCCCCNC(=S)N1CCNCC1(C)C ZINC001239439128 779567207 /nfs/dbraw/zinc/56/72/07/779567207.db2.gz RYTWIPCFEDQUPI-UHFFFAOYSA-N 0 3 285.501 2.905 20 30 CFEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)C ZINC001089775103 779590929 /nfs/dbraw/zinc/59/09/29/779590929.db2.gz DUYQCIZVZJRKBH-XQLPTFJDSA-N 0 3 296.842 2.564 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212306450 779603576 /nfs/dbraw/zinc/60/35/76/779603576.db2.gz HRMJLDDBTJEWBV-HUUCEWRRSA-N 0 3 296.455 2.572 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)CCCF)cc1 ZINC001272700696 779660761 /nfs/dbraw/zinc/66/07/61/779660761.db2.gz LWMDKSPCTWYUQA-CQSZACIVSA-N 0 3 290.382 2.726 20 30 CFEDHN CCCCN1CCN(Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237527681 779695944 /nfs/dbraw/zinc/69/59/44/779695944.db2.gz WVFUSFXYUDRRFL-UHFFFAOYSA-N 0 3 293.361 2.754 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001032052834 779723025 /nfs/dbraw/zinc/72/30/25/779723025.db2.gz CYDFFXWRPLSREU-UHFFFAOYSA-N 0 3 293.436 2.504 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C ZINC001032281179 779807369 /nfs/dbraw/zinc/80/73/69/779807369.db2.gz QSDCFSGLSTZBLV-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)C2CCCCCC2)CC1 ZINC001127858750 779903765 /nfs/dbraw/zinc/90/37/65/779903765.db2.gz ALGLSBGZDQVCJK-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCCCCCCCOC(=O)N1C[C@H](N)[C@@H](F)C1 ZINC001239326269 779927438 /nfs/dbraw/zinc/92/74/38/779927438.db2.gz ARVIWUYUYVZHJM-STQMWFEESA-N 0 3 274.380 2.855 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)cc1 ZINC001032510721 780002640 /nfs/dbraw/zinc/00/26/40/780002640.db2.gz HIEFYWNKXOGVQI-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCC1 ZINC001032543315 780021755 /nfs/dbraw/zinc/02/17/55/780021755.db2.gz RRENIYHSCFHLBH-HOTGVXAUSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032606044 780068220 /nfs/dbraw/zinc/06/82/20/780068220.db2.gz LSRAESLSVIUFHE-GJZGRUSLSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC ZINC001032606748 780068283 /nfs/dbraw/zinc/06/82/83/780068283.db2.gz ZTPQTVWNYBCOMZ-OFQRWUPVSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(=C)CC1 ZINC001032605918 780068628 /nfs/dbraw/zinc/06/86/28/780068628.db2.gz JULNCVCBSFHDBP-IRXDYDNUSA-N 0 3 288.435 2.984 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)C2)C1 ZINC001032614279 780074278 /nfs/dbraw/zinc/07/42/78/780074278.db2.gz LYIUQQBLFPHONK-UAOKOLBASA-N 0 3 288.435 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032639750 780101704 /nfs/dbraw/zinc/10/17/04/780101704.db2.gz OZJJZAAXZBKEEQ-GJZGRUSLSA-N 0 3 295.386 2.643 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCNCc1ccc(C#N)cc1 ZINC001128085497 780149503 /nfs/dbraw/zinc/14/95/03/780149503.db2.gz UTALCEXBVUTHBN-UHFFFAOYSA-N 0 3 297.402 2.532 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC2CC2)C12CCC2 ZINC001078529148 780267229 /nfs/dbraw/zinc/26/72/29/780267229.db2.gz MOOJMNNZFCHGIQ-OLZOCXBDSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)c2ccco2)C12CCC2 ZINC001078538203 780272752 /nfs/dbraw/zinc/27/27/52/780272752.db2.gz BYGNARPNGMGBBV-OLZOCXBDSA-N 0 3 294.782 2.663 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C=C2CCC2)C12CCC2 ZINC001078593688 780277382 /nfs/dbraw/zinc/27/73/82/780277382.db2.gz HHRPXIUGPFAGHD-UONOGXRCSA-N 0 3 294.826 2.866 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C=C2CCC2)C12CCC2 ZINC001078593689 780278139 /nfs/dbraw/zinc/27/81/39/780278139.db2.gz HHRPXIUGPFAGHD-ZIAGYGMSSA-N 0 3 294.826 2.866 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2CC=CC2)C12CCC2 ZINC001078584168 780278807 /nfs/dbraw/zinc/27/88/07/780278807.db2.gz WCPYXNSQQUBGSQ-ZIAGYGMSSA-N 0 3 294.826 2.722 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CC2CCC2)C12CCC2 ZINC001078586166 780281141 /nfs/dbraw/zinc/28/11/41/780281141.db2.gz LLLYGKLCWACGMQ-KBPBESRZSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccs1 ZINC001272932024 780301612 /nfs/dbraw/zinc/30/16/12/780301612.db2.gz IJSWKUNGEOLPTE-HUUCEWRRSA-N 0 3 290.432 2.890 20 30 CFEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccsc1 ZINC001272936899 780315142 /nfs/dbraw/zinc/31/51/42/780315142.db2.gz VHFMCEPJHUOBNV-MRXNPFEDSA-N 0 3 290.432 2.891 20 30 CFEDHN CN(C)Cc1cncc(-c2ccc(C#N)c(F)c2)c1 ZINC001240156439 780346254 /nfs/dbraw/zinc/34/62/54/780346254.db2.gz CGKHYAQVTQIZKD-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN C#CCCCC(=O)N1CCCC[C@@H]1CNC[C@H](F)CC ZINC001272952273 780360835 /nfs/dbraw/zinc/36/08/35/780360835.db2.gz AGIPQODMDWQEOA-HUUCEWRRSA-N 0 3 282.403 2.509 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1cccc(F)c1 ZINC001128241654 780367340 /nfs/dbraw/zinc/36/73/40/780367340.db2.gz AERAMVQBTIEJKO-UHFFFAOYSA-N 0 3 278.371 2.634 20 30 CFEDHN C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032920536 780511951 /nfs/dbraw/zinc/51/19/51/780511951.db2.gz NZQWSCOQLJNWOV-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032920536 780511956 /nfs/dbraw/zinc/51/19/56/780511956.db2.gz NZQWSCOQLJNWOV-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032920539 780512362 /nfs/dbraw/zinc/51/23/62/780512362.db2.gz NZQWSCOQLJNWOV-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001032920539 780512366 /nfs/dbraw/zinc/51/23/66/780512366.db2.gz NZQWSCOQLJNWOV-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032979912 780523382 /nfs/dbraw/zinc/52/33/82/780523382.db2.gz SYRRTGIIPUSLJV-ZDUSSCGKSA-N 0 3 278.440 2.777 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076734 780554699 /nfs/dbraw/zinc/55/46/99/780554699.db2.gz NYVUMCZKFXWQGA-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033156615 780585813 /nfs/dbraw/zinc/58/58/13/780585813.db2.gz SYAVDVCDIDMDKV-INIZCTEOSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001033246459 780631390 /nfs/dbraw/zinc/63/13/90/780631390.db2.gz LURUYROOFQKPDS-CQSZACIVSA-N 0 3 297.402 2.809 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252715 780632840 /nfs/dbraw/zinc/63/28/40/780632840.db2.gz ILXKOAFZMAQHGE-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033365806 780666249 /nfs/dbraw/zinc/66/62/49/780666249.db2.gz KIGKXGCCBKWJFQ-AWEZNQCLSA-N 0 3 287.407 2.615 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033376276 780669421 /nfs/dbraw/zinc/66/94/21/780669421.db2.gz RKRZOEXUJUGYPN-MRXNPFEDSA-N 0 3 286.419 2.971 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2Cc3ccccc3C2)C1 ZINC001033451166 780684800 /nfs/dbraw/zinc/68/48/00/780684800.db2.gz VSZGBQQEQKPOOF-GOSISDBHSA-N 0 3 298.430 2.510 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033599083 780721369 /nfs/dbraw/zinc/72/13/69/780721369.db2.gz KQRWAMHQBZQHMS-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033625979 780733478 /nfs/dbraw/zinc/73/34/78/780733478.db2.gz YZIKUVRHZUGJLQ-AWEZNQCLSA-N 0 3 292.448 2.626 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033701900 780755963 /nfs/dbraw/zinc/75/59/63/780755963.db2.gz LMUXAKIJIRSLBN-MRXNPFEDSA-N 0 3 298.430 2.898 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2coc3ccccc32)C1 ZINC001033711037 780758411 /nfs/dbraw/zinc/75/84/11/780758411.db2.gz QUAKUHKTQMUTCK-CQSZACIVSA-N 0 3 296.370 2.602 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc[nH]c2CC)CC1 ZINC001005327877 780774911 /nfs/dbraw/zinc/77/49/11/780774911.db2.gz JETVNXRNSOHZAI-UHFFFAOYSA-N 0 3 289.423 2.690 20 30 CFEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033821654 780801183 /nfs/dbraw/zinc/80/11/83/780801183.db2.gz UBNQBLPTWHGUQZ-GFCCVEGCSA-N 0 3 296.411 3.000 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033821958 780801645 /nfs/dbraw/zinc/80/16/45/780801645.db2.gz XAVIYQKTVGKKMN-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033944831 780838782 /nfs/dbraw/zinc/83/87/82/780838782.db2.gz YUYTVFFITPDBJQ-AEFFLSMTSA-N 0 3 298.430 2.825 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CC[C@H]1SC ZINC000701945050 780853563 /nfs/dbraw/zinc/85/35/63/780853563.db2.gz OLGLQUFFGGPUSV-DZGCQCFKSA-N 0 3 261.390 2.682 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001034079622 780880004 /nfs/dbraw/zinc/88/00/04/780880004.db2.gz YFJWGEIRVAMGCV-AWEZNQCLSA-N 0 3 290.432 2.664 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034103663 780893784 /nfs/dbraw/zinc/89/37/84/780893784.db2.gz CIWVFVVOITYMPW-GFCCVEGCSA-N 0 3 294.782 2.541 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001034110595 780894767 /nfs/dbraw/zinc/89/47/67/780894767.db2.gz YTERWLZEYFXZNB-INIZCTEOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034166483 780914305 /nfs/dbraw/zinc/91/43/05/780914305.db2.gz XWWWIGDSOIHKRR-CVEARBPZSA-N 0 3 289.423 2.596 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccncc2C)C1 ZINC001034207510 780923346 /nfs/dbraw/zinc/92/33/46/780923346.db2.gz MBSURLQELCYUMT-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034256635 780932315 /nfs/dbraw/zinc/93/23/15/780932315.db2.gz FFCWCTQYKGJGTN-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277984 780938420 /nfs/dbraw/zinc/93/84/20/780938420.db2.gz UYJUJTRKZHQNET-HNNXBMFYSA-N 0 3 289.423 2.792 20 30 CFEDHN Cc1cc(C2=CCN(Cc3ccccc3)CC2)nc(C#N)n1 ZINC001241502322 780946520 /nfs/dbraw/zinc/94/65/20/780946520.db2.gz UZAQCHXAJTZUMI-UHFFFAOYSA-N 0 3 290.370 2.946 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@H]2CCCCN(CC(=C)C)C2)cc1 ZINC001034340750 780947544 /nfs/dbraw/zinc/94/75/44/780947544.db2.gz QZISXKBQDCWTKP-SFHVURJKSA-N 0 3 296.414 2.828 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034385979 780962141 /nfs/dbraw/zinc/96/21/41/780962141.db2.gz ORJSGCUTHGDDSV-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001034408102 780965320 /nfs/dbraw/zinc/96/53/20/780965320.db2.gz HSHPNLDVWZGUGY-OAHLLOKOSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034415722 780971514 /nfs/dbraw/zinc/97/15/14/780971514.db2.gz KONPWOPXCHTSNI-OAHLLOKOSA-N 0 3 289.423 2.792 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034438092 780975816 /nfs/dbraw/zinc/97/58/16/780975816.db2.gz BZBKJTPBJPEQLF-YESZJQIVSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034472951 780982643 /nfs/dbraw/zinc/98/26/43/780982643.db2.gz ARRIDQWFWDSDRK-HUUCEWRRSA-N 0 3 276.424 2.723 20 30 CFEDHN CCCC(=O)N1CCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001034844213 781085437 /nfs/dbraw/zinc/08/54/37/781085437.db2.gz OWKQOMIUUXUOQX-GFCCVEGCSA-N 0 3 291.420 2.500 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)c1ccccc1C)CC2 ZINC001035638897 781153135 /nfs/dbraw/zinc/15/31/35/781153135.db2.gz XVSFVVBOAJZOQJ-UHFFFAOYSA-N 0 3 296.414 2.556 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@H]1C[C@H]1C)CC2 ZINC001035786546 781168932 /nfs/dbraw/zinc/16/89/32/781168932.db2.gz GIBSZVYANGBZSZ-HUUCEWRRSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C(C)C)CC1)CC2 ZINC001035788403 781169777 /nfs/dbraw/zinc/16/97/77/781169777.db2.gz FPQAPPKUUVWPLQ-UHFFFAOYSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)(C)CC)CC2 ZINC001035778430 781172107 /nfs/dbraw/zinc/17/21/07/781172107.db2.gz CBNNYEJTJGBBJC-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN CC(C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001035932883 781190859 /nfs/dbraw/zinc/19/08/59/781190859.db2.gz RJEIBJOHFKABQG-PBHICJAKSA-N 0 3 299.418 2.541 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@H]1CCC2(CCC2)O1 ZINC000711432884 781432681 /nfs/dbraw/zinc/43/26/81/781432681.db2.gz QHLATNBADGYZLG-MRXNPFEDSA-N 0 3 255.361 2.729 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC001079365160 781584582 /nfs/dbraw/zinc/58/45/82/781584582.db2.gz HMFGJRGDXLNWTE-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001079533961 781603181 /nfs/dbraw/zinc/60/31/81/781603181.db2.gz FAQIEYAJKWIKNQ-CHWSQXEVSA-N 0 3 278.440 2.681 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079752696 781617540 /nfs/dbraw/zinc/61/75/40/781617540.db2.gz SRIGRNQMWSMJCE-BZUAXINKSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001080428210 781657803 /nfs/dbraw/zinc/65/78/03/781657803.db2.gz ROXNTRWKSHZTMZ-VNHYZAJKSA-N 0 3 292.448 2.864 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001080473317 781663051 /nfs/dbraw/zinc/66/30/51/781663051.db2.gz GQDYKERTQIPROB-KLHDSHLOSA-N 0 3 278.440 2.681 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001080843512 781681970 /nfs/dbraw/zinc/68/19/70/781681970.db2.gz KPCBANRLTBRYMY-NVXWUHKLSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001081031030 781693606 /nfs/dbraw/zinc/69/36/06/781693606.db2.gz LYEUPAPJLSKHLV-VXGBXAGGSA-N 0 3 296.411 2.904 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001081048224 781697848 /nfs/dbraw/zinc/69/78/48/781697848.db2.gz ZZJOFYHGQBZTCI-UKRRQHHQSA-N 0 3 290.382 2.760 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001084636399 781815866 /nfs/dbraw/zinc/81/58/66/781815866.db2.gz GEPYCDGESRLHOZ-HUUCEWRRSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001084837364 781845101 /nfs/dbraw/zinc/84/51/01/781845101.db2.gz LGNATEKLVKOMPN-IAGOWNOFSA-N 0 3 288.435 2.842 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)C[C@@H]21 ZINC001084970725 781870099 /nfs/dbraw/zinc/87/00/99/781870099.db2.gz RSHGHZDSISPSCZ-OAGGEKHMSA-N 0 3 288.435 2.676 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCC ZINC001230855052 781876134 /nfs/dbraw/zinc/87/61/34/781876134.db2.gz GXVGPGNFILOFEZ-JKSUJKDBSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3CCC(F)CC3)C[C@@H]21 ZINC001085023461 781883017 /nfs/dbraw/zinc/88/30/17/781883017.db2.gz CWFGFZMBMXYKGK-LMPOIIKSSA-N 0 3 294.414 2.624 20 30 CFEDHN COCC1(CN[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000594509426 349434954 /nfs/dbraw/zinc/43/49/54/349434954.db2.gz FAGJCJMLFATGJH-NSHDSACASA-N 0 3 262.328 2.775 20 30 CFEDHN N#Cc1ccc(-n2cc(CNC3CCCCC3)nn2)cc1 ZINC000594651345 349468290 /nfs/dbraw/zinc/46/82/90/349468290.db2.gz IMWZBKVXRKMGDJ-UHFFFAOYSA-N 0 3 281.363 2.561 20 30 CFEDHN C[C@H](Cn1ccnc1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594914826 349504270 /nfs/dbraw/zinc/50/42/70/349504270.db2.gz MAULTDZHOUAMRM-CQSZACIVSA-N 0 3 280.375 2.617 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000124580946 187144439 /nfs/dbraw/zinc/14/44/39/187144439.db2.gz WSZBHVOVZSHLSS-SWLSCSKDSA-N 0 3 271.364 2.760 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H](SC)C2)nn1 ZINC000594928101 349512934 /nfs/dbraw/zinc/51/29/34/349512934.db2.gz ZMPLKLKXPMAUAX-GXTWGEPZSA-N 0 3 280.441 2.618 20 30 CFEDHN COC[C@H](C)Oc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000594936429 349518563 /nfs/dbraw/zinc/51/85/63/349518563.db2.gz LHNTXIZHQZWEAJ-AWEZNQCLSA-N 0 3 288.391 2.884 20 30 CFEDHN C[C@](O)(CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000594938992 349519823 /nfs/dbraw/zinc/51/98/23/349519823.db2.gz USXTYRVHPLXTKZ-ZDUSSCGKSA-N 0 3 298.308 2.645 20 30 CFEDHN CC[C@@H]1OCC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594945589 349523586 /nfs/dbraw/zinc/52/35/86/349523586.db2.gz FWOPNLQWILWTSI-CVEARBPZSA-N 0 3 270.376 2.899 20 30 CFEDHN CC(C)n1cncc1CNCCc1ccc(C#N)cc1 ZINC000594954550 349527475 /nfs/dbraw/zinc/52/74/75/349527475.db2.gz HPHGOKAVMRIBBX-UHFFFAOYSA-N 0 3 268.364 2.668 20 30 CFEDHN Cn1cc(CNCCc2ccc(C#N)cc2)c(C(F)F)n1 ZINC000594956110 349528460 /nfs/dbraw/zinc/52/84/60/349528460.db2.gz UDGVNFXVOYXBEG-UHFFFAOYSA-N 0 3 290.317 2.562 20 30 CFEDHN COc1ccc(OC)c(CNCCc2ccc(C#N)cc2)c1 ZINC000594956281 349528478 /nfs/dbraw/zinc/52/84/78/349528478.db2.gz WPSIBHOYGXEXPA-UHFFFAOYSA-N 0 3 296.370 2.908 20 30 CFEDHN C=CCCSCCNCc1cccc(OCC)n1 ZINC000594960384 349530005 /nfs/dbraw/zinc/53/00/05/349530005.db2.gz PKAGCBADGUOLRO-UHFFFAOYSA-N 0 3 266.410 2.879 20 30 CFEDHN COc1cc(CNC[C@H]2CCN2C(C)(C)C)ccc1C#N ZINC000594967554 349533823 /nfs/dbraw/zinc/53/38/23/349533823.db2.gz TZDMTTLLIBDZBP-OAHLLOKOSA-N 0 3 287.407 2.529 20 30 CFEDHN C=CCCSCCNCc1cc(C(F)(F)F)nn1C ZINC000594969547 349535101 /nfs/dbraw/zinc/53/51/01/349535101.db2.gz XEADTKDZOBOMTD-UHFFFAOYSA-N 0 3 293.358 2.838 20 30 CFEDHN CO[C@@H](CNCc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000594993964 349541236 /nfs/dbraw/zinc/54/12/36/349541236.db2.gz ISQNHLDYJDBITM-INIZCTEOSA-N 0 3 298.390 2.501 20 30 CFEDHN COc1cc(CNC[C@@H](OC)C2CCCC2)ccc1C#N ZINC000594994601 349541894 /nfs/dbraw/zinc/54/18/94/349541894.db2.gz MPPMFXVADQQZDZ-QGZVFWFLSA-N 0 3 288.391 2.862 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1cc2n(n1)CCCC2 ZINC000595055410 349567565 /nfs/dbraw/zinc/56/75/65/349567565.db2.gz CJMJPUTZKBMILS-AWEZNQCLSA-N 0 3 294.402 2.984 20 30 CFEDHN C=CCCSCCN[C@@H]1CCCn2nccc21 ZINC000595057716 349569775 /nfs/dbraw/zinc/56/97/75/349569775.db2.gz CWQWDEOEPJZECC-GFCCVEGCSA-N 0 3 251.399 2.617 20 30 CFEDHN COC1([C@H](C)NCC2(C#N)CCCCC2)CCOCC1 ZINC000595091067 349578303 /nfs/dbraw/zinc/57/83/03/349578303.db2.gz MWWQHFDTYRXBMF-AWEZNQCLSA-N 0 3 280.412 2.634 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000595251753 349586967 /nfs/dbraw/zinc/58/69/67/349586967.db2.gz WXRVMSQGJAWQCW-KGLIPLIRSA-N 0 3 277.412 2.627 20 30 CFEDHN CSc1c(F)cccc1NC(=O)[C@H](N)CCCC#N ZINC000595257083 349588303 /nfs/dbraw/zinc/58/83/03/349588303.db2.gz PMSZSZJQLZBQOH-SNVBAGLBSA-N 0 3 281.356 2.507 20 30 CFEDHN C[C@@H](N[C@H](C)C1(CO)CC1)c1ccc(C#N)cc1F ZINC000595071009 349574497 /nfs/dbraw/zinc/57/44/97/349574497.db2.gz XCQKQSHSKBFKON-GHMZBOCLSA-N 0 3 262.328 2.509 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000595295711 349594740 /nfs/dbraw/zinc/59/47/40/349594740.db2.gz PZGMEKMYRXZNMC-MRXNPFEDSA-N 0 3 258.365 2.602 20 30 CFEDHN N#Cc1cccc(CNC[C@H](O)CCc2ccccc2)c1 ZINC000273091240 192040643 /nfs/dbraw/zinc/04/06/43/192040643.db2.gz KXYHKAXOQMUBSD-GOSISDBHSA-N 0 3 280.371 2.642 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2CCCC)CC1 ZINC000068708571 346865581 /nfs/dbraw/zinc/86/55/81/346865581.db2.gz QZVDYNZJOBICEU-WBVHZDCISA-N 0 3 290.451 2.807 20 30 CFEDHN CN1CC[C@@H]2CN([C@H](C#N)c3ccc(Cl)cc3)C[C@@H]21 ZINC000595520823 349649858 /nfs/dbraw/zinc/64/98/58/349649858.db2.gz FKZNSFOYYFYZES-YUELXQCFSA-N 0 3 275.783 2.541 20 30 CFEDHN CN1CC[C@@H]2CN([C@@H](C#N)c3ccc(Cl)cc3)C[C@@H]21 ZINC000595520822 349650171 /nfs/dbraw/zinc/65/01/71/349650171.db2.gz FKZNSFOYYFYZES-SNPRPXQTSA-N 0 3 275.783 2.541 20 30 CFEDHN CC(C)(C#N)CCN[C@H](c1cccnc1)C(C)(C)CO ZINC000595498195 349642271 /nfs/dbraw/zinc/64/22/71/349642271.db2.gz CTNKWEZNUXTLPP-CQSZACIVSA-N 0 3 275.396 2.671 20 30 CFEDHN N#Cc1ccncc1N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595500661 349643587 /nfs/dbraw/zinc/64/35/87/349643587.db2.gz GDZUEZFMNDXIHM-INMHGKMJSA-N 0 3 296.418 2.511 20 30 CFEDHN CC[C@@H]1CO[C@@H](CC)CN1CCc1ccc(C#N)cc1 ZINC000595558193 349658986 /nfs/dbraw/zinc/65/89/86/349658986.db2.gz MYVONJGTEIVSDK-SJORKVTESA-N 0 3 272.392 2.990 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)cc1)c1ccco1 ZINC000020122276 282180405 /nfs/dbraw/zinc/18/04/05/282180405.db2.gz SEPCKROCZGJJMP-HNNXBMFYSA-N 0 3 269.348 2.544 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@H](CO)Cc1ccccc1 ZINC000595593623 349668024 /nfs/dbraw/zinc/66/80/24/349668024.db2.gz XUKDRNDGEZQNKB-SFHVURJKSA-N 0 3 280.371 2.594 20 30 CFEDHN CC(C)(NCCOCC1CC1)c1cccc(C#N)c1 ZINC000595635902 349684488 /nfs/dbraw/zinc/68/44/88/349684488.db2.gz OXTXXMZHUUUAPX-UHFFFAOYSA-N 0 3 258.365 2.810 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCCC2(CCCC2)CC1 ZINC000595641265 349686630 /nfs/dbraw/zinc/68/66/30/349686630.db2.gz GVXQALVYWVXRCA-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN CN(C(=O)CCN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595621402 349679364 /nfs/dbraw/zinc/67/93/64/349679364.db2.gz UIKBRPGKULXYIS-HNNXBMFYSA-N 0 3 285.391 2.665 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@H](O)C2CCCCC2)C1 ZINC000595623498 349680716 /nfs/dbraw/zinc/68/07/16/349680716.db2.gz RTJIWMAILDJTNQ-HIFRSBDPSA-N 0 3 250.386 2.553 20 30 CFEDHN N#CC[C@@H]1CCCN(CCc2noc3ccccc32)C1 ZINC000595623635 349681096 /nfs/dbraw/zinc/68/10/96/349681096.db2.gz VXBNJEALUXIUFQ-ZDUSSCGKSA-N 0 3 269.348 2.996 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)OC)cn2)C1 ZINC000595658991 349692594 /nfs/dbraw/zinc/69/25/94/349692594.db2.gz LLBYVISCGVWKED-ZDUSSCGKSA-N 0 3 274.364 2.656 20 30 CFEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1cscn1 ZINC000595668684 349694855 /nfs/dbraw/zinc/69/48/55/349694855.db2.gz OILKSMRCSFIULH-LBPRGKRZSA-N 0 3 279.409 2.894 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1[C@@H](C)CO ZINC000595678711 349698536 /nfs/dbraw/zinc/69/85/36/349698536.db2.gz UFWVORMZNBRWBR-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](C2CCCCC2)C1 ZINC000595731682 349719781 /nfs/dbraw/zinc/71/97/81/349719781.db2.gz BHOAUMJHJSVZJZ-GDBMZVCRSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](C2CCCCC2)C1 ZINC000595731689 349719437 /nfs/dbraw/zinc/71/94/37/349719437.db2.gz BHOAUMJHJSVZJZ-HOCLYGCPSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@@H](NC[C@@H](C#N)CCC#N)C1CCC(F)CC1 ZINC000595818777 349741248 /nfs/dbraw/zinc/74/12/48/349741248.db2.gz IZXCWOKILNRHBK-IWMBGFJWSA-N 0 3 251.349 2.936 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](CN2CCCC2=O)C1 ZINC000595831232 349745869 /nfs/dbraw/zinc/74/58/69/349745869.db2.gz ZFKJRAJFBFFHLA-ZBFHGGJFSA-N 0 3 297.402 2.564 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)co1 ZINC000595845946 349753754 /nfs/dbraw/zinc/75/37/54/349753754.db2.gz XRHZFAJSOBWEOS-BETUJISGSA-N 0 3 261.321 2.749 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](C(=O)NC(C)C)C2)ccc1C#N ZINC000595848533 349755029 /nfs/dbraw/zinc/75/50/29/349755029.db2.gz CVMGYECNJCWLPS-QGZVFWFLSA-N 0 3 299.418 2.603 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856426 349756096 /nfs/dbraw/zinc/75/60/96/349756096.db2.gz CDFJGBBHRDRDIY-XXKXFTPQSA-N 0 3 291.439 2.692 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)N(CC)C[C@H](C)C#N ZINC000595865553 349758049 /nfs/dbraw/zinc/75/80/49/349758049.db2.gz AVPHXUIXNCRVOG-QLFBSQMISA-N 0 3 279.428 2.648 20 30 CFEDHN N#Cc1ccc(CNCCOCCF)c(C(F)(F)F)c1 ZINC000596057014 349783539 /nfs/dbraw/zinc/78/35/39/349783539.db2.gz FQZHGTSGBTZBFB-UHFFFAOYSA-N 0 3 290.260 2.653 20 30 CFEDHN CC[C@H](C)N(CC#Cc1ccccc1Cl)CCO ZINC000347451713 529691681 /nfs/dbraw/zinc/69/16/81/529691681.db2.gz HQEIATSFKXLNQM-ZDUSSCGKSA-N 0 3 265.784 2.784 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1nc2ncccc2cc1C#N ZINC000596132203 349803006 /nfs/dbraw/zinc/80/30/06/349803006.db2.gz JYDWJVYREDXPRQ-HNNXBMFYSA-N 0 3 295.390 2.788 20 30 CFEDHN CCc1nc(C(=O)NC2CC(N3CCCCC3)C2)co1 ZINC000330014098 529704785 /nfs/dbraw/zinc/70/47/85/529704785.db2.gz AMNICAJNQALCNZ-UHFFFAOYSA-N 0 3 277.368 2.559 20 30 CFEDHN CC[NH+]1CCC(CCN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596140874 349806316 /nfs/dbraw/zinc/80/63/16/349806316.db2.gz JZAMSLBZHMWACL-UHFFFAOYSA-N 0 3 298.843 2.624 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nc(C#N)c(Cl)s1 ZINC000596158305 349812984 /nfs/dbraw/zinc/81/29/84/349812984.db2.gz BZXWWHZTJOXFMS-ZJUUUORDSA-N 0 3 296.827 2.731 20 30 CFEDHN N#Cc1nc(N2CCC[C@H]2CN2CCCC2)sc1Cl ZINC000596200997 349825758 /nfs/dbraw/zinc/82/57/58/349825758.db2.gz UVBFFINBJNMJAJ-JTQLQIEISA-N 0 3 296.827 2.733 20 30 CFEDHN N#Cc1cc(Cl)ccc1N1CCN(c2ccncc2)CC1 ZINC000301160570 136423964 /nfs/dbraw/zinc/42/39/64/136423964.db2.gz BMBMLABJAOTMIM-UHFFFAOYSA-N 0 3 298.777 2.933 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(C#N)s1 ZINC000126890237 187268985 /nfs/dbraw/zinc/26/89/85/187268985.db2.gz YEGPDROTDCEOJO-UHFFFAOYSA-N 0 3 252.383 2.604 20 30 CFEDHN C#CCN(C)CCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000295066357 199327196 /nfs/dbraw/zinc/32/71/96/199327196.db2.gz RPOAFRUHYYAFJU-MRXNPFEDSA-N 0 3 290.382 2.584 20 30 CFEDHN Cn1cc(CNC[C@H]2CCCCC2(F)F)cc1C#N ZINC000295075697 199332438 /nfs/dbraw/zinc/33/24/38/199332438.db2.gz HTLKZIPFBBTVHC-GFCCVEGCSA-N 0 3 267.323 2.812 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@H]1CCC[C@H]1O ZINC000352696736 529823435 /nfs/dbraw/zinc/82/34/35/529823435.db2.gz KGLUQIUTVSJMGU-LSDHHAIUSA-N 0 3 263.768 2.537 20 30 CFEDHN CC(C)N1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)C1 ZINC000596266050 349847858 /nfs/dbraw/zinc/84/78/58/349847858.db2.gz MRLNOJZWXSTADH-VIFPVBQESA-N 0 3 284.816 2.587 20 30 CFEDHN Cc1c(Cl)cnc(NC[C@H]2CCN2C(C)(C)C)c1C#N ZINC000596305851 349857909 /nfs/dbraw/zinc/85/79/09/349857909.db2.gz BDOUFKVMHIKEQQ-LLVKDONJSA-N 0 3 292.814 2.622 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)C1CCN(C)CC1 ZINC000073428635 346977365 /nfs/dbraw/zinc/97/73/65/346977365.db2.gz ODWOJFHITCSRJC-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN Cc1nc(C(=O)Nc2ccc(CN(C)C)cc2)ccc1C#N ZINC000073544655 346979760 /nfs/dbraw/zinc/97/97/60/346979760.db2.gz MJRZEFMWNYHVJF-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C=C(C)c1cccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000934887501 649848187 /nfs/dbraw/zinc/84/81/87/649848187.db2.gz UNVFEGMZLYSUCL-IUODEOHRSA-N 0 3 273.380 2.934 20 30 CFEDHN C[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1CCCCCC1 ZINC000074198343 347001539 /nfs/dbraw/zinc/00/15/39/347001539.db2.gz ABENBLXZTQNJAT-OAHLLOKOSA-N 0 3 299.418 2.781 20 30 CFEDHN Cc1cc([C@@H]2CCCN2CCCSCC#N)on1 ZINC000074981868 347046232 /nfs/dbraw/zinc/04/62/32/347046232.db2.gz XRKGCXGYPCOAFG-LBPRGKRZSA-N 0 3 265.382 2.767 20 30 CFEDHN CN(CCCSCC#N)C[C@@H]1OCCc2ccccc21 ZINC000074989927 347046346 /nfs/dbraw/zinc/04/63/46/347046346.db2.gz HTLZSTRAJBWMAN-INIZCTEOSA-N 0 3 290.432 2.879 20 30 CFEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000075022333 347048482 /nfs/dbraw/zinc/04/84/82/347048482.db2.gz INICAGGOVZDSSB-HUUCEWRRSA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)Nc1nc2ccccn2c1C#N ZINC000596488163 349917033 /nfs/dbraw/zinc/91/70/33/349917033.db2.gz NLHQAEHITQIDPF-CQSZACIVSA-N 0 3 297.406 2.738 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(C)cc(F)cc2C)CC1 ZINC000668369799 539430375 /nfs/dbraw/zinc/43/03/75/539430375.db2.gz FKIQJRPNMFVYQQ-UHFFFAOYSA-N 0 3 290.382 2.823 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC2(C)C)CC1 ZINC000668370396 539431006 /nfs/dbraw/zinc/43/10/06/539431006.db2.gz WQKZZODTGPMKBB-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@](C)(COC)C2)cc1 ZINC000295104675 199347153 /nfs/dbraw/zinc/34/71/53/199347153.db2.gz KWLCJYNQOABSBE-QGZVFWFLSA-N 0 3 273.376 2.557 20 30 CFEDHN CCCN1CC[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1 ZINC000596518551 349928295 /nfs/dbraw/zinc/92/82/95/349928295.db2.gz WMJCOJYKHBGUJD-LLVKDONJSA-N 0 3 278.787 2.811 20 30 CFEDHN Cc1nc(C(=O)Nc2ccccc2CN(C)C)ccc1C#N ZINC000031231140 346292662 /nfs/dbraw/zinc/29/26/62/346292662.db2.gz BUUZGXMJCJGZHX-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN CC(C)(C#N)CCN1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597610 349952682 /nfs/dbraw/zinc/95/26/82/349952682.db2.gz UUIBIGNBFNUBAH-UHFFFAOYSA-N 0 3 260.385 2.734 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCCCC1 ZINC000043999950 346388590 /nfs/dbraw/zinc/38/85/90/346388590.db2.gz YOUVPMJRMVXVND-PBHICJAKSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@H]1CCCCN1CCNC(=O)Nc1ccc(C#N)cc1 ZINC000046374934 346426731 /nfs/dbraw/zinc/42/67/31/346426731.db2.gz TYJMRUYEPQWCHB-ZDUSSCGKSA-N 0 3 286.379 2.554 20 30 CFEDHN CN1CCN(Cc2ccccc2-c2ccccc2C#N)CC1 ZINC000596640087 349965158 /nfs/dbraw/zinc/96/51/58/349965158.db2.gz ZRMFVJGBELUQOB-UHFFFAOYSA-N 0 3 291.398 2.973 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C1CC1)C1CCCCC1 ZINC000047904051 346459709 /nfs/dbraw/zinc/45/97/09/346459709.db2.gz MAVDLYGHXOCTEJ-KRWDZBQOSA-N 0 3 291.439 2.838 20 30 CFEDHN CCCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C(C)C ZINC000051709065 346506300 /nfs/dbraw/zinc/50/63/00/346506300.db2.gz XOLTYXAWHVFDPV-INIZCTEOSA-N 0 3 281.444 2.941 20 30 CFEDHN CCC(CC)CN(CC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000051824491 346507736 /nfs/dbraw/zinc/50/77/36/346507736.db2.gz RPNSZZCCBVYYHD-MRXNPFEDSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051088048 346499746 /nfs/dbraw/zinc/49/97/46/346499746.db2.gz XZPXEISHCVUBFB-INIZCTEOSA-N 0 3 299.418 2.688 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1CC ZINC000052867495 346530634 /nfs/dbraw/zinc/53/06/34/346530634.db2.gz URZIDAWHJCLQDM-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000060562732 346669105 /nfs/dbraw/zinc/66/91/05/346669105.db2.gz LDVIJYLTJOJAIF-AHIWAGSCSA-N 0 3 291.439 2.694 20 30 CFEDHN Cc1csc(CCNCc2cccc(C#N)c2)n1 ZINC000057398960 346626372 /nfs/dbraw/zinc/62/63/72/346626372.db2.gz QCJOKMBUAXIKAR-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)C1CCC(C)CC1 ZINC000061799084 346683730 /nfs/dbraw/zinc/68/37/30/346683730.db2.gz KEKGPCXVZSWMPW-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN C[C@@H](COCC(F)(F)F)NCc1ccc(C#N)cc1 ZINC000062259854 346687833 /nfs/dbraw/zinc/68/78/33/346687833.db2.gz IBJFOLHNZWEVIO-JTQLQIEISA-N 0 3 272.270 2.615 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000066312770 346753878 /nfs/dbraw/zinc/75/38/78/346753878.db2.gz HVMKFJCYVSBZEQ-CYBMUJFWSA-N 0 3 276.380 2.668 20 30 CFEDHN C=CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000076048274 347116552 /nfs/dbraw/zinc/11/65/52/347116552.db2.gz OGYPHCGWIHZVFM-INIZCTEOSA-N 0 3 287.407 2.699 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C1CC1)C1CCCCC1 ZINC000076948809 347161592 /nfs/dbraw/zinc/16/15/92/347161592.db2.gz UGSZPUGXYTUNGH-AWEZNQCLSA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@@H](CCC(C)(C)C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000076320948 347133977 /nfs/dbraw/zinc/13/39/77/347133977.db2.gz MKHJNSNFOACSRQ-WFASDCNBSA-N 0 3 287.407 2.889 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000079265953 347294443 /nfs/dbraw/zinc/29/44/43/347294443.db2.gz WPZTWVFPIJEMDP-LSDHHAIUSA-N 0 3 281.444 2.857 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000079265955 347294672 /nfs/dbraw/zinc/29/46/72/347294672.db2.gz WPZTWVFPIJEMDP-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)CC(=O)OC)c([O-])c1 ZINC000078565929 347261895 /nfs/dbraw/zinc/26/18/95/347261895.db2.gz FNIUSDMVBFZQMB-PBSOMRJOSA-N 0 3 292.379 2.609 20 30 CFEDHN COc1ccc(C#N)cc1NC(=O)C(C)C(F)(F)F ZINC000079826738 347328371 /nfs/dbraw/zinc/32/83/71/347328371.db2.gz AWCFQVYBWQHDNX-ZETCQYMHSA-N 0 3 272.226 2.704 20 30 CFEDHN C=CCCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000081128426 347405083 /nfs/dbraw/zinc/40/50/83/347405083.db2.gz GWKZJPDNUGAEIB-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000080616709 347370347 /nfs/dbraw/zinc/37/03/47/347370347.db2.gz AMSLTFJSYULYRG-UHFFFAOYSA-N 0 3 275.352 2.966 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC12CCC2 ZINC000081545889 347425290 /nfs/dbraw/zinc/42/52/90/347425290.db2.gz XKFVHDNFRLLHKU-UHFFFAOYSA-N 0 3 272.348 2.574 20 30 CFEDHN N#Cc1ccc(OCCNCc2cccc3c[nH]nc32)cc1 ZINC000084048313 347456658 /nfs/dbraw/zinc/45/66/58/347456658.db2.gz BLPNJVJYSGWWDG-UHFFFAOYSA-N 0 3 292.342 2.603 20 30 CFEDHN CCc1ncc(CNCCOc2ccc(C#N)cc2)s1 ZINC000084048322 347456665 /nfs/dbraw/zinc/45/66/65/347456665.db2.gz CJMWBCMPRYWITN-UHFFFAOYSA-N 0 3 287.388 2.746 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1cccc(N(C)C)c1 ZINC000089923293 347531683 /nfs/dbraw/zinc/53/16/83/347531683.db2.gz ZNAIZFFLEBYMTN-INIZCTEOSA-N 0 3 262.397 2.512 20 30 CFEDHN C#CCCN1CCN(c2cc(C)nc3c(F)cccc23)CC1 ZINC000091480660 347589343 /nfs/dbraw/zinc/58/93/43/347589343.db2.gz NPRFQCXSRKBKCI-UHFFFAOYSA-N 0 3 297.377 2.828 20 30 CFEDHN C[C@H](c1ccccn1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000091704262 347596635 /nfs/dbraw/zinc/59/66/35/347596635.db2.gz VIORUOCQIHKJLB-DYVFJYSZSA-N 0 3 281.359 2.680 20 30 CFEDHN CC[C@H](CNc1snc(Cl)c1C#N)N1CCCC1 ZINC000092607776 347634376 /nfs/dbraw/zinc/63/43/76/347634376.db2.gz DVGILMTYXTXTSI-SECBINFHSA-N 0 3 284.816 2.954 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1sc(CCOC)nc1C ZINC000092767490 347646834 /nfs/dbraw/zinc/64/68/34/347646834.db2.gz SWRVKZCRDSKYKZ-NXEZZACHSA-N 0 3 254.399 2.866 20 30 CFEDHN CCCN1CCC(Nc2snc(C)c2C#N)CC1 ZINC000092912560 347650427 /nfs/dbraw/zinc/65/04/27/347650427.db2.gz XOGDDUTUXPXBTD-UHFFFAOYSA-N 0 3 264.398 2.610 20 30 CFEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000114729844 347775163 /nfs/dbraw/zinc/77/51/63/347775163.db2.gz SJDFDRRUHIEUFR-YOEHRIQHSA-N 0 3 291.439 2.553 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccc2ccccc21 ZINC000119358398 347801472 /nfs/dbraw/zinc/80/14/72/347801472.db2.gz JRASVVYMGBHMGA-KBPBESRZSA-N 0 3 280.371 2.628 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121277092 347811058 /nfs/dbraw/zinc/81/10/58/347811058.db2.gz LPDJFZJXIQTTIE-GFCCVEGCSA-N 0 3 272.377 2.722 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCC(C)C ZINC000126683910 347836533 /nfs/dbraw/zinc/83/65/33/347836533.db2.gz MIXPDEOUFGBLKH-CQSZACIVSA-N 0 3 252.402 2.553 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@](O)(C3CC3)C2)cc1 ZINC000668556766 539578327 /nfs/dbraw/zinc/57/83/27/539578327.db2.gz XTNBACXTMDHKRI-GOSISDBHSA-N 0 3 287.403 2.988 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(c2ccncc2)CC1 ZINC000151138467 347959361 /nfs/dbraw/zinc/95/93/61/347959361.db2.gz XOVRQDVBRCMHLR-UHFFFAOYSA-N 0 3 272.396 2.534 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000160553693 348018945 /nfs/dbraw/zinc/01/89/45/348018945.db2.gz CYZYAQWJXOWUNE-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@H](NCc1ccc(CO)cc1)c1cccc(C#N)c1 ZINC000226560450 348183929 /nfs/dbraw/zinc/18/39/29/348183929.db2.gz YXNGBOJOSLSUGD-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c1C#N ZINC000273340531 192118994 /nfs/dbraw/zinc/11/89/94/192118994.db2.gz NQDAVLHMBDPBEG-ONGXEEELSA-N 0 3 290.798 2.952 20 30 CFEDHN CCC[C@@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000248552177 348274271 /nfs/dbraw/zinc/27/42/71/348274271.db2.gz ADJAQIFSNVUWOU-HUUCEWRRSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@H]1SCCN(Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000265544463 348321164 /nfs/dbraw/zinc/32/11/64/348321164.db2.gz RUJQEKQWCJBOIK-QWHCGFSZSA-N 0 3 276.405 2.915 20 30 CFEDHN C[C@@H](NCC1(O)CCCC1)c1ccc(C#N)cc1F ZINC000305807874 348382025 /nfs/dbraw/zinc/38/20/25/348382025.db2.gz HIKQIJMXHXUKGY-LLVKDONJSA-N 0 3 262.328 2.653 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000320308675 348436123 /nfs/dbraw/zinc/43/61/23/348436123.db2.gz LFUTVIGBLFXMPT-GFCCVEGCSA-N 0 3 274.364 2.626 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320802950 348437605 /nfs/dbraw/zinc/43/76/05/348437605.db2.gz VZPARPUFMGFXJQ-DGCLKSJQSA-N 0 3 264.325 2.573 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000339999261 348454942 /nfs/dbraw/zinc/45/49/42/348454942.db2.gz KBXDNTXAOSIFGV-VMBOVVBDSA-N 0 3 290.451 2.969 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000354591915 348501676 /nfs/dbraw/zinc/50/16/76/348501676.db2.gz BFMPYXOSRWTTIH-OAHLLOKOSA-N 0 3 299.418 2.904 20 30 CFEDHN N#CCCNC[C@H]1CCCCN1Cc1ccccc1 ZINC000379648679 348522194 /nfs/dbraw/zinc/52/21/94/348522194.db2.gz MSEJISZRIWHSQZ-MRXNPFEDSA-N 0 3 257.381 2.544 20 30 CFEDHN CC[C@H](C#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000386662608 348535827 /nfs/dbraw/zinc/53/58/27/348535827.db2.gz MQZPUMHJODYTPO-MRXNPFEDSA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1cnc(CCN2CCC[C@@H](CC#N)C2)c(C)c1 ZINC000401058835 348577061 /nfs/dbraw/zinc/57/70/61/348577061.db2.gz CLJYHNPBCIGWKL-HNNXBMFYSA-N 0 3 257.381 2.867 20 30 CFEDHN CC(C)O[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000404670550 348593981 /nfs/dbraw/zinc/59/39/81/348593981.db2.gz BJDUNIGFQRFPRN-INIZCTEOSA-N 0 3 258.365 2.948 20 30 CFEDHN C=CCCC[C@H](C)N1CC[S@@](=O)C(C)(C)CC1 ZINC000451751667 348622499 /nfs/dbraw/zinc/62/24/99/348622499.db2.gz CHWDOJJJZUSVBK-SUMWQHHRSA-N 0 3 257.443 2.964 20 30 CFEDHN COC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000589193462 348818076 /nfs/dbraw/zinc/81/80/76/348818076.db2.gz ITZHRAPHYNADPZ-DZGCQCFKSA-N 0 3 272.348 2.645 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)C1CC1 ZINC000589516373 348837335 /nfs/dbraw/zinc/83/73/35/348837335.db2.gz RVHIXZXYLPRSMC-CQSZACIVSA-N 0 3 298.308 2.780 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC1(C#N)CC1)N(C)C ZINC000590336648 348894846 /nfs/dbraw/zinc/89/48/46/348894846.db2.gz FVGIKUSZHCGDLA-PBHICJAKSA-N 0 3 299.418 2.796 20 30 CFEDHN N#CCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000589696346 348852098 /nfs/dbraw/zinc/85/20/98/348852098.db2.gz ZTEIDEUGYRCQOR-KRWDZBQOSA-N 0 3 299.418 2.709 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C(C)C)[C@@H]1CCOC1 ZINC000589744605 348854492 /nfs/dbraw/zinc/85/44/92/348854492.db2.gz ZVDQELQZOQXHMJ-MRXNPFEDSA-N 0 3 258.365 2.866 20 30 CFEDHN C[C@@H](NCc1ccnc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000590024794 348869413 /nfs/dbraw/zinc/86/94/13/348869413.db2.gz NERCUHOPYBHXPS-BDJLRTHQSA-N 0 3 299.399 2.807 20 30 CFEDHN CCCN(CCOCCC#N)Cc1ccccc1F ZINC000590155011 348879773 /nfs/dbraw/zinc/87/97/73/348879773.db2.gz KTXVBHPUABFJMK-UHFFFAOYSA-N 0 3 264.344 2.968 20 30 CFEDHN CCN1C[C@H](CN(C)[C@@H]2CC[C@H](C#N)C2)Oc2ccccc21 ZINC000590154524 348879931 /nfs/dbraw/zinc/87/99/31/348879931.db2.gz KPQPONRGGISVFG-XHSDSOJGSA-N 0 3 299.418 2.898 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(CC3(C#N)CC3)n2)cc1 ZINC000590266602 348888795 /nfs/dbraw/zinc/88/87/95/348888795.db2.gz VILHBZMWMRFLCW-UHFFFAOYSA-N 0 3 282.347 2.644 20 30 CFEDHN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C#N)cc1F ZINC000590746092 348940917 /nfs/dbraw/zinc/94/09/17/348940917.db2.gz XNOYPBIVLMXNLK-CZFOOCMKSA-N 0 3 262.328 2.914 20 30 CFEDHN CN1CCC(N(C(=O)CC2(C#N)CC2)c2ccccc2)CC1 ZINC000590978874 348975651 /nfs/dbraw/zinc/97/56/51/348975651.db2.gz ZQDWMFPSZZZOID-UHFFFAOYSA-N 0 3 297.402 2.808 20 30 CFEDHN CCN1CCN(CCC2(C#N)CCCCC2)C[C@H]1C ZINC000591021146 348979253 /nfs/dbraw/zinc/97/92/53/348979253.db2.gz SVJOTFVBKYEEGP-OAHLLOKOSA-N 0 3 263.429 2.877 20 30 CFEDHN C[C@@H]1COCCCN1CCC1(C#N)CCCCC1 ZINC000591019716 348979728 /nfs/dbraw/zinc/97/97/28/348979728.db2.gz YABBHNTYQJBBLN-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1ncc2c(c1C#N)CCC2 ZINC000591820114 349047491 /nfs/dbraw/zinc/04/74/91/349047491.db2.gz BBEUAJSVECPVPZ-CQSZACIVSA-N 0 3 284.407 2.728 20 30 CFEDHN C[C@@H](C(=O)N1CCc2cc(C#N)ccc21)N1CCCCCC1 ZINC000591312326 349007979 /nfs/dbraw/zinc/00/79/79/349007979.db2.gz FCCHGEVCVUTGFR-AWEZNQCLSA-N 0 3 297.402 2.712 20 30 CFEDHN CN(C)[C@H](CC(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000591319886 349008446 /nfs/dbraw/zinc/00/84/46/349008446.db2.gz NDQHOYLTECYXKF-AEFFLSMTSA-N 0 3 299.418 2.832 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCCc2c(Cl)cccc21 ZINC000273485451 192170378 /nfs/dbraw/zinc/17/03/78/192170378.db2.gz NBYIORJOLYSIMJ-AWEZNQCLSA-N 0 3 278.783 2.609 20 30 CFEDHN CC1(C)CN(Cc2ccncc2C#N)[C@@H]2CCC[C@H]21 ZINC000592123150 349086684 /nfs/dbraw/zinc/08/66/84/349086684.db2.gz XRCBCAJJVMRJSF-HUUCEWRRSA-N 0 3 255.365 2.964 20 30 CFEDHN C[C@H](CCCc1cccnc1)NCc1ccncc1C#N ZINC000592125644 349087962 /nfs/dbraw/zinc/08/79/62/349087962.db2.gz YWTDFSUHGYCJCL-CQSZACIVSA-N 0 3 280.375 2.849 20 30 CFEDHN CCN(CCOc1ccc(C#N)cc1OC)CCSC ZINC000592201385 349099799 /nfs/dbraw/zinc/09/97/99/349099799.db2.gz SFVZLCCVIKYJPE-UHFFFAOYSA-N 0 3 294.420 2.631 20 30 CFEDHN CC1(C)CN(Cc2cnc3c(C#N)cnn3c2)[C@@H]2CCC[C@H]21 ZINC000592514765 349130700 /nfs/dbraw/zinc/13/07/00/349130700.db2.gz ISIHEBKTQAZSSZ-HUUCEWRRSA-N 0 3 295.390 2.611 20 30 CFEDHN CCCC[C@H](CC)CCN1CC[C@@](O)(CC#N)C1 ZINC000592522153 349132107 /nfs/dbraw/zinc/13/21/07/349132107.db2.gz IICFMMOKYVYLHP-GJZGRUSLSA-N 0 3 252.402 2.943 20 30 CFEDHN CCC[C@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592522236 349132863 /nfs/dbraw/zinc/13/28/63/349132863.db2.gz JPXXVLSASSICEY-SJORKVTESA-N 0 3 272.392 2.921 20 30 CFEDHN N#Cc1cnn2cc(CN3CCCC[C@H]3C3CCC3)cnc12 ZINC000592527598 349135429 /nfs/dbraw/zinc/13/54/29/349135429.db2.gz FTEHGMRUZGOEPA-INIZCTEOSA-N 0 3 295.390 2.756 20 30 CFEDHN CN(CCN1CCCCC1)Cc1ccc(C#N)c(F)c1 ZINC000593111142 349211296 /nfs/dbraw/zinc/21/12/96/349211296.db2.gz DEYPQEOUDZRRDA-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN CC1CCN(CCN2Cc3cccc(C#N)c3C2)CC1 ZINC000593126504 349217017 /nfs/dbraw/zinc/21/70/17/349217017.db2.gz KKGMPOATMHAWKT-UHFFFAOYSA-N 0 3 269.392 2.606 20 30 CFEDHN CC[C@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](CC)CO1 ZINC000593060093 349198156 /nfs/dbraw/zinc/19/81/56/349198156.db2.gz XSWIBWCTMUGMIM-HOTGVXAUSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@H](NC1(C2CCC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000593082266 349203944 /nfs/dbraw/zinc/20/39/44/349203944.db2.gz UTFYDPIZJKXYJG-LBPRGKRZSA-N 0 3 283.375 2.808 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000593436798 349269812 /nfs/dbraw/zinc/26/98/12/349269812.db2.gz JYRCDHSCNBQAQF-NVXWUHKLSA-N 0 3 299.418 2.798 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000593497435 349284915 /nfs/dbraw/zinc/28/49/15/349284915.db2.gz DATPTJUCXFJCBX-BMFZPTHFSA-N 0 3 281.359 2.835 20 30 CFEDHN CC[C@H](C#N)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000593507156 349286410 /nfs/dbraw/zinc/28/64/10/349286410.db2.gz DDVPTBNLBHVZKO-MRXNPFEDSA-N 0 3 299.418 2.659 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CC3(CCC3)C2)cc1 ZINC000593880979 349332219 /nfs/dbraw/zinc/33/22/19/349332219.db2.gz CQQOVQKMOUCTGT-HNNXBMFYSA-N 0 3 293.370 2.689 20 30 CFEDHN CC(C)(CCN1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000593942406 349336983 /nfs/dbraw/zinc/33/69/83/349336983.db2.gz RWFAQGCGAYPIAS-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN N#CCCCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000593960396 349340944 /nfs/dbraw/zinc/34/09/44/349340944.db2.gz YFXPTIIDNGOIMJ-UHFFFAOYSA-N 0 3 299.418 2.635 20 30 CFEDHN C[C@@H](CNC(=O)CCCCC#N)N(C)Cc1ccccc1 ZINC000593976467 349344120 /nfs/dbraw/zinc/34/41/20/349344120.db2.gz PVBLLOQRMJZELF-HNNXBMFYSA-N 0 3 287.407 2.707 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCCCC#N ZINC000594000600 349350076 /nfs/dbraw/zinc/35/00/76/349350076.db2.gz DJXJHZATZYDRSC-OAHLLOKOSA-N 0 3 287.407 2.707 20 30 CFEDHN CC[C@H](CC#N)NCCCOc1cccc(C#N)c1 ZINC000594008881 349352114 /nfs/dbraw/zinc/35/21/14/349352114.db2.gz GTOGYVVJLCEWJX-CQSZACIVSA-N 0 3 257.337 2.609 20 30 CFEDHN CC(C)[C@H]1C[C@@H](NCC2(C#N)CCCC2)CCO1 ZINC000593653283 349304591 /nfs/dbraw/zinc/30/45/91/349304591.db2.gz HIHIDEZIQSGKIT-UONOGXRCSA-N 0 3 250.386 2.864 20 30 CFEDHN CCC(C#N)C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593744693 349318785 /nfs/dbraw/zinc/31/87/85/349318785.db2.gz JDAPAZCRYHJKTM-CHWSQXEVSA-N 0 3 296.411 2.656 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC000593754651 349321196 /nfs/dbraw/zinc/32/11/96/349321196.db2.gz GWFBYBPEYAVTMX-JTQLQIEISA-N 0 3 262.740 2.995 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594195990 349392973 /nfs/dbraw/zinc/39/29/73/349392973.db2.gz JXAAOZMKPNQSHE-DLBZAZTESA-N 0 3 297.402 2.613 20 30 CFEDHN CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594286527 349404180 /nfs/dbraw/zinc/40/41/80/349404180.db2.gz PKCMKQSGTGYTHQ-SJORKVTESA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000594440775 349422424 /nfs/dbraw/zinc/42/24/24/349422424.db2.gz ZJLGPMPDWFCCAK-CABCVRRESA-N 0 3 279.428 2.873 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N(CC1CC1)C1CCCCC1 ZINC000594440385 349422842 /nfs/dbraw/zinc/42/28/42/349422842.db2.gz YQBPZKDHJOXPFJ-MRXNPFEDSA-N 0 3 291.439 2.969 20 30 CFEDHN C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](N)CCCCC#N ZINC000594444432 349423343 /nfs/dbraw/zinc/42/33/43/349423343.db2.gz LXMXUQWXMQPRQS-STQMWFEESA-N 0 3 267.417 2.729 20 30 CFEDHN CCC(CC)(CC)CNC(=O)[C@@H](N)CCCCC#N ZINC000594445999 349424959 /nfs/dbraw/zinc/42/49/59/349424959.db2.gz OOSUHVLKXAJFJP-ZDUSSCGKSA-N 0 3 267.417 2.730 20 30 CFEDHN Cc1ccccc1C1(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594450347 349425235 /nfs/dbraw/zinc/42/52/35/349425235.db2.gz YZNRROXOJGWHNL-HNNXBMFYSA-N 0 3 285.391 2.512 20 30 CFEDHN Cc1cc(NC(=O)[C@@H](N)CCCC#N)ccc1Cl ZINC000594457773 349427190 /nfs/dbraw/zinc/42/71/90/349427190.db2.gz GCMGWUSJOCMSCB-LBPRGKRZSA-N 0 3 265.744 2.608 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000596972007 350009777 /nfs/dbraw/zinc/00/97/77/350009777.db2.gz QEBKTBVMHVSEPJ-DOTOQJQBSA-N 0 3 299.418 2.565 20 30 CFEDHN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000597080477 350025637 /nfs/dbraw/zinc/02/56/37/350025637.db2.gz NTVLDDDKVOMNOW-WNMQOVRZSA-N 0 3 274.339 2.915 20 30 CFEDHN C[C@H]1[C@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597086860 350027902 /nfs/dbraw/zinc/02/79/02/350027902.db2.gz BXTIPKFGEHUEES-GJZGRUSLSA-N 0 3 283.419 2.766 20 30 CFEDHN C[C@H]1[C@H](NC(=O)CCCCC#N)CCN1Cc1ccccc1 ZINC000594361234 349411031 /nfs/dbraw/zinc/41/10/31/349411031.db2.gz PCFSEDXXPLMSMF-DOTOQJQBSA-N 0 3 299.418 2.850 20 30 CFEDHN CCOC(=O)[C@@H](NC(=O)C(C#N)CC)C1CCCCCC1 ZINC000594407892 349415142 /nfs/dbraw/zinc/41/51/42/349415142.db2.gz FULNLVXHAXOGAO-OCCSQVGLSA-N 0 3 294.395 2.554 20 30 CFEDHN CCOC(=O)[C@H](NC(=O)C(C#N)CC)C1CCCCCC1 ZINC000594407893 349415443 /nfs/dbraw/zinc/41/54/43/349415443.db2.gz FULNLVXHAXOGAO-TZMCWYRMSA-N 0 3 294.395 2.554 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000594425183 349417248 /nfs/dbraw/zinc/41/72/48/349417248.db2.gz GDSPTOUIYIFCIL-STQMWFEESA-N 0 3 291.420 2.823 20 30 CFEDHN CN(Cc1ccccc1Cl)C(=O)[C@H](N)CCCCC#N ZINC000594428345 349418621 /nfs/dbraw/zinc/41/86/21/349418621.db2.gz YICVELVDZPEEJQ-CQSZACIVSA-N 0 3 293.798 2.710 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000594428298 349418636 /nfs/dbraw/zinc/41/86/36/349418636.db2.gz MJMRPZARGYRKSV-CVEARBPZSA-N 0 3 285.391 2.665 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)C1CCCCCC1 ZINC000594428289 349418809 /nfs/dbraw/zinc/41/88/09/349418809.db2.gz MHKJYPYCHCBMGR-AWEZNQCLSA-N 0 3 265.401 2.579 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000594430198 349419604 /nfs/dbraw/zinc/41/96/04/349419604.db2.gz WPWFFAANACBKPR-LBPRGKRZSA-N 0 3 297.305 2.638 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC(C2CCCC2)CC1 ZINC000594432963 349420385 /nfs/dbraw/zinc/42/03/85/349420385.db2.gz HXCNCSMKHLYGAO-INIZCTEOSA-N 0 3 291.439 2.826 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC2(C1)CCCCC2 ZINC000594432649 349420966 /nfs/dbraw/zinc/42/09/66/349420966.db2.gz FVZSNHPEDKYWPB-CQSZACIVSA-N 0 3 277.412 2.580 20 30 CFEDHN C[C@@]1(c2ccccc2)CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433809 349421355 /nfs/dbraw/zinc/42/13/55/349421355.db2.gz UBOAJENJVYGKSH-SJLPKXTDSA-N 0 3 299.418 2.588 20 30 CFEDHN CSCc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594435042 349421571 /nfs/dbraw/zinc/42/15/71/349421571.db2.gz ZOXXWYPUTFFMIN-AWEZNQCLSA-N 0 3 291.420 2.899 20 30 CFEDHN Cc1ccc2c(c1)N(C(=O)[C@@H](N)CCCCC#N)CCC2 ZINC000594434553 349421744 /nfs/dbraw/zinc/42/17/44/349421744.db2.gz OUFIUJYHMFEXHS-HNNXBMFYSA-N 0 3 285.391 2.686 20 30 CFEDHN Cc1cc(C)cc([C@H](C)NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594434595 349421807 /nfs/dbraw/zinc/42/18/07/349421807.db2.gz PWIBVNWEYNZZJD-GOEBONIOSA-N 0 3 287.407 2.892 20 30 CFEDHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](N)CCCCC#N)CC2 ZINC000594434044 349421821 /nfs/dbraw/zinc/42/18/21/349421821.db2.gz JSNZPLFOSDYWCB-CVEARBPZSA-N 0 3 285.391 2.510 20 30 CFEDHN C[C@H](CC#N)C(=O)N(CCN1CCCC1)c1ccccc1 ZINC000597281101 350079026 /nfs/dbraw/zinc/07/90/26/350079026.db2.gz CUDYJIOMRILZFX-OAHLLOKOSA-N 0 3 285.391 2.665 20 30 CFEDHN CCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597131757 350035336 /nfs/dbraw/zinc/03/53/36/350035336.db2.gz WNZOBHRQYJDTGN-OAHLLOKOSA-N 0 3 283.419 2.768 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000597173624 350043192 /nfs/dbraw/zinc/04/31/92/350043192.db2.gz LGXDKQPZWLXJLR-AWEZNQCLSA-N 0 3 297.402 2.704 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](CC#N)C2)ccc1-n1cncn1 ZINC000597173180 350043511 /nfs/dbraw/zinc/04/35/11/350043511.db2.gz GVJJCYFHINDMRT-HNNXBMFYSA-N 0 3 295.390 2.701 20 30 CFEDHN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1cc(C#N)cs1 ZINC000597240881 350069955 /nfs/dbraw/zinc/06/99/55/350069955.db2.gz QBGBMUXZBNHNSZ-DZGCQCFKSA-N 0 3 292.404 2.831 20 30 CFEDHN C[C@@H](CC#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000597334002 350085127 /nfs/dbraw/zinc/08/51/27/350085127.db2.gz QMKOBYLISHKZSL-HOTGVXAUSA-N 0 3 299.418 2.659 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)c2ccc(F)cc2)s1 ZINC000414536399 233285800 /nfs/dbraw/zinc/28/58/00/233285800.db2.gz XMWSPJLNCNXGTQ-GFCCVEGCSA-N 0 3 290.363 2.625 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000090883973 180052762 /nfs/dbraw/zinc/05/27/62/180052762.db2.gz UXSDLZDTTGQUQP-BFUOFWGJSA-N 0 3 281.421 2.667 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000090883769 180053005 /nfs/dbraw/zinc/05/30/05/180053005.db2.gz IFIVHTBSGUWLAL-ZDUSSCGKSA-N 0 3 277.364 2.701 20 30 CFEDHN CCCN(CCN1CCCCCC1)C(=O)[C@@H](C)CC#N ZINC000597657931 350121326 /nfs/dbraw/zinc/12/13/26/350121326.db2.gz YEBYGPKWMDAPBB-HNNXBMFYSA-N 0 3 279.428 2.651 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@]12C[C@H]1CCC2 ZINC000597890898 350149550 /nfs/dbraw/zinc/14/95/50/350149550.db2.gz UWUUHKPQQOMAEX-ZMSDIMECSA-N 0 3 268.360 2.818 20 30 CFEDHN CC(C#N)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000597764867 350133444 /nfs/dbraw/zinc/13/34/44/350133444.db2.gz ZOEGIZSZAMDURK-LBPRGKRZSA-N 0 3 294.395 2.697 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC2(CCO2)CC1 ZINC000597788648 350135462 /nfs/dbraw/zinc/13/54/62/350135462.db2.gz AVXHJUPLAFBGNE-INIZCTEOSA-N 0 3 298.386 2.540 20 30 CFEDHN C=CCCSCCNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000597973076 350166970 /nfs/dbraw/zinc/16/69/70/350166970.db2.gz RAFVJAOGIQOAKM-MJBXVCDLSA-N 0 3 284.469 2.673 20 30 CFEDHN CC[C@@H](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000597977950 350170394 /nfs/dbraw/zinc/17/03/94/350170394.db2.gz MGBDTCZNOOZTMJ-CJNGLKHVSA-N 0 3 283.375 2.793 20 30 CFEDHN C[C@@H](C#N)N(C(=O)C[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000598136590 350208206 /nfs/dbraw/zinc/20/82/06/350208206.db2.gz HVGBJJGLOCSXOQ-XJKSGUPXSA-N 0 3 285.391 2.582 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CCCCC1 ZINC000598261055 350225784 /nfs/dbraw/zinc/22/57/84/350225784.db2.gz DCOUPHZVDURSLG-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN C[C@@H](C(=O)NCC1(C#N)CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000598308164 350231419 /nfs/dbraw/zinc/23/14/19/350231419.db2.gz DQEKVYCDBQSPBD-KFWWJZLASA-N 0 3 291.439 2.838 20 30 CFEDHN CC(C)C[C@H](CNC(=O)C(C)C#N)CC(=O)OC(C)(C)C ZINC000598401810 350256951 /nfs/dbraw/zinc/25/69/51/350256951.db2.gz DEFDVCSVSIGGLK-STQMWFEESA-N 0 3 296.411 2.656 20 30 CFEDHN CC(C)[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598381888 350253727 /nfs/dbraw/zinc/25/37/27/350253727.db2.gz RFIREJOBVANSAH-IRXDYDNUSA-N 0 3 295.386 2.791 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN(Cc1ccccc1)C1CC1 ZINC000598586250 350285850 /nfs/dbraw/zinc/28/58/50/350285850.db2.gz FXCXVEKTVUFVQH-INIZCTEOSA-N 0 3 272.392 2.952 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1cc2ccccc2o1 ZINC000598701395 350312560 /nfs/dbraw/zinc/31/25/60/350312560.db2.gz URODMTQKTYJIFY-ZDUSSCGKSA-N 0 3 272.348 2.823 20 30 CFEDHN Cc1cc(CNC[C@H](O)CC(C)(C)C#N)ccc1F ZINC000598699712 350312830 /nfs/dbraw/zinc/31/28/30/350312830.db2.gz IAEHZHCCMOFOMQ-CYBMUJFWSA-N 0 3 264.344 2.525 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCOc2ccccc21 ZINC000598719843 350317261 /nfs/dbraw/zinc/31/72/61/350317261.db2.gz JXXFPBYPDOIQBD-HIFRSBDPSA-N 0 3 288.391 2.791 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CSc2ccccc21 ZINC000598720257 350318041 /nfs/dbraw/zinc/31/80/41/350318041.db2.gz NPMXCVSHDOKNJD-DGCLKSJQSA-N 0 3 276.405 2.724 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1coc2ccccc12 ZINC000598721877 350318628 /nfs/dbraw/zinc/31/86/28/350318628.db2.gz XPTJQLSWDOUWAW-ZDUSSCGKSA-N 0 3 272.348 2.823 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCOc2ccc(F)cc21 ZINC000598722016 350318874 /nfs/dbraw/zinc/31/88/74/350318874.db2.gz YJRYOPRZXRFISB-GXTWGEPZSA-N 0 3 292.354 2.540 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598587716 350287115 /nfs/dbraw/zinc/28/71/15/350287115.db2.gz UEKDHPZBYKJAOZ-INIZCTEOSA-N 0 3 272.392 2.975 20 30 CFEDHN CCOc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598588062 350287154 /nfs/dbraw/zinc/28/71/54/350287154.db2.gz YPZYWIQVGSVBRF-OAHLLOKOSA-N 0 3 290.407 2.818 20 30 CFEDHN CC[C@@H](c1ccncc1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598598681 350289865 /nfs/dbraw/zinc/28/98/65/350289865.db2.gz IOGFMWBKJQDAFM-CABCVRRESA-N 0 3 275.396 2.765 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000598596293 350289924 /nfs/dbraw/zinc/28/99/24/350289924.db2.gz ZLUCBAQXOOJRIN-HZPDHXFCSA-N 0 3 288.391 2.830 20 30 CFEDHN Cc1nc(C(C)(C)NC[C@H](O)CC(C)(C)C#N)sc1C ZINC000598598804 350289940 /nfs/dbraw/zinc/28/99/40/350289940.db2.gz WCZQTUUATYTCPO-GFCCVEGCSA-N 0 3 295.452 2.885 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccncc1 ZINC000598598140 350289951 /nfs/dbraw/zinc/28/99/51/350289951.db2.gz ATIKVFQXPGIBAG-CABCVRRESA-N 0 3 273.380 2.519 20 30 CFEDHN COc1ccc(F)cc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598599165 350290972 /nfs/dbraw/zinc/29/09/72/350290972.db2.gz AJRLJJQREMAQIA-YPMHNXCESA-N 0 3 294.370 2.786 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2cccnc2)CC1 ZINC000598600471 350291055 /nfs/dbraw/zinc/29/10/55/350291055.db2.gz OIRLNFCVSZVGHB-MRXNPFEDSA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1C[C@@H](O)CC(C)(C)C#N ZINC000598600281 350291066 /nfs/dbraw/zinc/29/10/66/350291066.db2.gz AJVQCXPXLHNLSF-WOPDTQHZSA-N 0 3 292.345 2.950 20 30 CFEDHN COc1cccc(C2(NC[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598599182 350291173 /nfs/dbraw/zinc/29/11/73/350291173.db2.gz AQFSVTOOCZXJAX-CQSZACIVSA-N 0 3 288.391 2.575 20 30 CFEDHN CCc1cnccc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598603902 350291958 /nfs/dbraw/zinc/29/19/58/350291958.db2.gz LCVNLNZBOHOMLZ-OCCSQVGLSA-N 0 3 275.396 2.595 20 30 CFEDHN Cc1cccc2c1CN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598607700 350292521 /nfs/dbraw/zinc/29/25/21/350292521.db2.gz DAUFABUWMYWRQC-HNNXBMFYSA-N 0 3 272.392 2.654 20 30 CFEDHN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1c(C)noc1C ZINC000598612115 350293340 /nfs/dbraw/zinc/29/33/40/350293340.db2.gz LLPIVPBTTJFKAK-CHWSQXEVSA-N 0 3 279.384 2.633 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)Cc2ccccc2O1 ZINC000598618945 350294468 /nfs/dbraw/zinc/29/44/68/350294468.db2.gz SPDVKXDDEWISKR-UKRRQHHQSA-N 0 3 288.391 2.570 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccsc1 ZINC000598621931 350295249 /nfs/dbraw/zinc/29/52/49/350295249.db2.gz WWNCEQGPVHVFTP-JQWIXIFHSA-N 0 3 252.383 2.699 20 30 CFEDHN Cn1ncc(C(F)(F)F)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000599058893 350367610 /nfs/dbraw/zinc/36/76/10/350367610.db2.gz HIWAGCOHSPGHGH-ZJUUUORDSA-N 0 3 286.301 2.611 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@H]1CC1(F)F ZINC000598908463 350346099 /nfs/dbraw/zinc/34/60/99/350346099.db2.gz DYXDKHOAPAOGPV-KBPBESRZSA-N 0 3 292.329 2.920 20 30 CFEDHN CCC[C@@H](CNCc1cnc2ccc(C#N)cn12)OCC ZINC000598989436 350355101 /nfs/dbraw/zinc/35/51/01/350355101.db2.gz ILMWAFKRICOLJO-HNNXBMFYSA-N 0 3 286.379 2.501 20 30 CFEDHN C[C@H](CC#N)C(=O)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000598807847 350331924 /nfs/dbraw/zinc/33/19/24/350331924.db2.gz NNDBEUIIKRRKBS-HIFRSBDPSA-N 0 3 283.375 2.547 20 30 CFEDHN Cc1cccc2c1C[C@H](N[C@H]1CC[C@H](C#N)C1)CO2 ZINC000599066803 350369110 /nfs/dbraw/zinc/36/91/10/350369110.db2.gz ZMZAEKUPBAPYEM-IHRRRGAJSA-N 0 3 256.349 2.580 20 30 CFEDHN COCC#CCN1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000677820726 539795370 /nfs/dbraw/zinc/79/53/70/539795370.db2.gz UBONMGKXMHXJEZ-NVXWUHKLSA-N 0 3 257.377 2.589 20 30 CFEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599282446 350405907 /nfs/dbraw/zinc/40/59/07/350405907.db2.gz QPPZHGWGBKNGQK-ZDUSSCGKSA-N 0 3 286.375 2.640 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000599147414 350384870 /nfs/dbraw/zinc/38/48/70/350384870.db2.gz OCAUFNSVBDZVBV-KBPBESRZSA-N 0 3 279.428 2.553 20 30 CFEDHN CC(=O)NCC[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599418612 350433921 /nfs/dbraw/zinc/43/39/21/350433921.db2.gz BKQPQDMTZYCGKC-MRXNPFEDSA-N 0 3 299.418 2.605 20 30 CFEDHN COC[C@]1(C)CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599432615 350436653 /nfs/dbraw/zinc/43/66/53/350436653.db2.gz WOGRJADUKAMFBI-MRXNPFEDSA-N 0 3 258.365 2.725 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2[C@H](C)O)cc1C#N ZINC000599298279 350408685 /nfs/dbraw/zinc/40/86/85/350408685.db2.gz XHMWTBAICFKGAS-BBRMVZONSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1ccc(CN(C)CCCn2ccnc2)cc1C#N ZINC000599338667 350417572 /nfs/dbraw/zinc/41/75/72/350417572.db2.gz UXZIBUIMCITLEK-UHFFFAOYSA-N 0 3 268.364 2.585 20 30 CFEDHN Cc1ccc(CN(C)[C@H](CO)CC(C)C)cc1C#N ZINC000599368162 350425400 /nfs/dbraw/zinc/42/54/00/350425400.db2.gz SMWODXAHFWOBEE-INIZCTEOSA-N 0 3 260.381 2.706 20 30 CFEDHN Cc1ccc(CN(C)[C@@H](CO)CC(C)C)cc1C#N ZINC000599368163 350425759 /nfs/dbraw/zinc/42/57/59/350425759.db2.gz SMWODXAHFWOBEE-MRXNPFEDSA-N 0 3 260.381 2.706 20 30 CFEDHN Cc1ccc(CN2[C@@H](C)CC(O)C[C@@H]2C)cc1C#N ZINC000599378221 350427055 /nfs/dbraw/zinc/42/70/55/350427055.db2.gz IJVNOTCEPUYVOU-STQMWFEESA-N 0 3 258.365 2.600 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000599385543 350428893 /nfs/dbraw/zinc/42/88/93/350428893.db2.gz RKODRRCYFHFVLI-OKILXGFUSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000599393850 350430725 /nfs/dbraw/zinc/43/07/25/350430725.db2.gz SPWLRUATWQYKLH-WMLDXEAASA-N 0 3 272.392 2.992 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](C(=O)NC(C)C)C2)cc1C#N ZINC000599481347 350444249 /nfs/dbraw/zinc/44/42/49/350444249.db2.gz KNSQXCCQHBISGN-MRXNPFEDSA-N 0 3 299.418 2.603 20 30 CFEDHN CC(C)(NCCOC1CCOCC1)c1cccc(C#N)c1 ZINC000599463485 350441105 /nfs/dbraw/zinc/44/11/05/350441105.db2.gz WUCXDBSCQYAXTQ-UHFFFAOYSA-N 0 3 288.391 2.579 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](C)[C@@H]2CCO)cc1C#N ZINC000599465262 350441637 /nfs/dbraw/zinc/44/16/37/350441637.db2.gz DSBWNRJBBVWGNI-PBHICJAKSA-N 0 3 272.392 2.850 20 30 CFEDHN N#CCc1cccc2c1CCN(CCC1CCOCC1)C2 ZINC000599677921 350479980 /nfs/dbraw/zinc/47/99/80/350479980.db2.gz MRNNNKWRVCLVBO-UHFFFAOYSA-N 0 3 284.403 2.927 20 30 CFEDHN N#CCc1cccc2c1CCN(CCc1ccncc1)C2 ZINC000599686666 350482431 /nfs/dbraw/zinc/48/24/31/350482431.db2.gz UXLMSTLWQOJVDD-UHFFFAOYSA-N 0 3 277.371 2.748 20 30 CFEDHN COC(=O)C1C[C@@H](C)N(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000599690683 350483789 /nfs/dbraw/zinc/48/37/89/350483789.db2.gz PBZUCAKJMDSQBK-CHWSQXEVSA-N 0 3 286.375 2.720 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H](C)N(CCC(C)(C)C#N)[C@@H](C)C1 ZINC000599692734 350484082 /nfs/dbraw/zinc/48/40/82/350484082.db2.gz BEOKRUOUIBBLQJ-CLLJXQQHSA-N 0 3 266.385 2.588 20 30 CFEDHN N#CCCn1cc(CN2C[C@@H]3C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000600184324 350533537 /nfs/dbraw/zinc/53/35/37/350533537.db2.gz GTSWVQOAFMDJJI-IYBDPMFKSA-N 0 3 292.386 2.915 20 30 CFEDHN C/C=C/C[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600212142 350541009 /nfs/dbraw/zinc/54/10/09/350541009.db2.gz AQNIPMJSFWZIGM-BAABZTOOSA-N 0 3 295.390 2.779 20 30 CFEDHN C=CC[C@H](CC)NCc1cccc(C(=O)OCC)n1 ZINC000600158754 350524293 /nfs/dbraw/zinc/52/42/93/350524293.db2.gz MFSOVWDHWCXGQX-LBPRGKRZSA-N 0 3 262.353 2.703 20 30 CFEDHN Cc1ncccc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000600390097 350552536 /nfs/dbraw/zinc/55/25/36/350552536.db2.gz OIUCOPXAUDOKTB-INIZCTEOSA-N 0 3 293.370 2.779 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2coc3ccccc23)CC1 ZINC000600723720 350602182 /nfs/dbraw/zinc/60/21/82/350602182.db2.gz DRGBDBWWBPYIME-CYBMUJFWSA-N 0 3 270.332 2.577 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2ccc(C(F)F)cc2)CC1 ZINC000600733926 350603406 /nfs/dbraw/zinc/60/34/06/350603406.db2.gz GSOMQCOPBPDLLZ-CYBMUJFWSA-N 0 3 280.318 2.769 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2ccc(Cl)cc2F)CC1 ZINC000600734803 350603540 /nfs/dbraw/zinc/60/35/40/350603540.db2.gz KUOHQCLIPYOSQE-GFCCVEGCSA-N 0 3 282.746 2.623 20 30 CFEDHN CCCOc1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1 ZINC000600718354 350600911 /nfs/dbraw/zinc/60/09/11/350600911.db2.gz WTHUVQOPGIYMOR-OAHLLOKOSA-N 0 3 288.391 2.620 20 30 CFEDHN CCC[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccn1 ZINC000600723526 350601589 /nfs/dbraw/zinc/60/15/89/350601589.db2.gz VKNAWWMZLKJWMJ-KGLIPLIRSA-N 0 3 273.380 2.567 20 30 CFEDHN N#Cc1ccc(-c2ccc([C@H]3CNCCO3)cc2)s1 ZINC000600776835 350608987 /nfs/dbraw/zinc/60/89/87/350608987.db2.gz QHTMRGCEUJWEHZ-CQSZACIVSA-N 0 3 270.357 2.948 20 30 CFEDHN C[C@H](C#N)n1cc(-c2cc(CN(C)C)ccc2F)cn1 ZINC000600790340 350612794 /nfs/dbraw/zinc/61/27/94/350612794.db2.gz JURODWDFPWZOOK-LLVKDONJSA-N 0 3 272.327 2.835 20 30 CFEDHN N#Cc1cccc(Cn2cc(CNC3CCCCC3)nn2)c1 ZINC000600973280 350640234 /nfs/dbraw/zinc/64/02/34/350640234.db2.gz SKMPWTOUVSKZBO-UHFFFAOYSA-N 0 3 295.390 2.620 20 30 CFEDHN CC(C)(C)[C@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600976405 350640401 /nfs/dbraw/zinc/64/04/01/350640401.db2.gz SCLDJFSWAKXBDP-CYBMUJFWSA-N 0 3 289.770 2.838 20 30 CFEDHN C[C@H](CNC(=O)c1ccccc1CC#N)N1CCC(C)CC1 ZINC000601020704 350646773 /nfs/dbraw/zinc/64/67/73/350646773.db2.gz ZZUKUPYSSJYWRY-OAHLLOKOSA-N 0 3 299.418 2.603 20 30 CFEDHN CN(C)C[C@H]1CCCN1c1ncc(C#N)c2ccsc21 ZINC000601127855 350675944 /nfs/dbraw/zinc/67/59/44/350675944.db2.gz SMOZMAJMFROFGE-GFCCVEGCSA-N 0 3 286.404 2.698 20 30 CFEDHN COc1cc(CN(C)C)ccc1NC(=O)CC(C)(C)C#N ZINC000601620286 350748725 /nfs/dbraw/zinc/74/87/25/350748725.db2.gz JAXAODGJPMYSBA-UHFFFAOYSA-N 0 3 289.379 2.635 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000601622792 350749656 /nfs/dbraw/zinc/74/96/56/350749656.db2.gz VIOMNAKYQVCUBY-MRXNPFEDSA-N 0 3 289.379 2.635 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000601284285 350716975 /nfs/dbraw/zinc/71/69/75/350716975.db2.gz DLMYYEKEAKBIJL-XZDPQHSOSA-N 0 3 256.349 2.798 20 30 CFEDHN CC(C)C[C@@H](C)C[C@H](C)N1CCN(CCC#N)CC1 ZINC000601316058 350722400 /nfs/dbraw/zinc/72/24/00/350722400.db2.gz FZYFWDNKMZPHSL-CVEARBPZSA-N 0 3 265.445 2.978 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCCC23CC3)cc1 ZINC000601704919 350765176 /nfs/dbraw/zinc/76/51/76/350765176.db2.gz MYFIYRZZOITNIA-JKSUJKDBSA-N 0 3 293.370 2.689 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](NC[C@@H](C#N)CCC#N)C2)cc1 ZINC000601966504 350820981 /nfs/dbraw/zinc/82/09/81/350820981.db2.gz BPQUFKJKKRFRJQ-QZTJIDSGSA-N 0 3 296.418 2.602 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000601807175 350779835 /nfs/dbraw/zinc/77/98/35/350779835.db2.gz HKBMJTFHDFHSII-HZPDHXFCSA-N 0 3 285.391 2.512 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@H](C(F)F)CC1 ZINC000601973656 350822466 /nfs/dbraw/zinc/82/24/66/350822466.db2.gz IEGAHZSFVWFBIZ-NSHDSACASA-N 0 3 260.328 2.672 20 30 CFEDHN N#CCC[C@H](C#N)CNCC1([C@@H]2CCCCO2)CCC1 ZINC000601938947 350810088 /nfs/dbraw/zinc/81/00/88/350810088.db2.gz HSECGXGSOKWURQ-CABCVRRESA-N 0 3 275.396 2.759 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000602011524 350830305 /nfs/dbraw/zinc/83/03/05/350830305.db2.gz HIDSVJOWPMYTCZ-WQVCFCJDSA-N 0 3 274.339 2.745 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000602011519 350830354 /nfs/dbraw/zinc/83/03/54/350830354.db2.gz HIDSVJOWPMYTCZ-DAXOMENPSA-N 0 3 274.339 2.745 20 30 CFEDHN CO[C@@H]1CCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602014613 350831339 /nfs/dbraw/zinc/83/13/39/350831339.db2.gz FSFZYMIBROLDIX-SWLSCSKDSA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C)C[C@@H](CCO)CNCc1cccc(F)c1C#N ZINC000602015047 350832098 /nfs/dbraw/zinc/83/20/98/350832098.db2.gz YLZJGFBTASLURK-CYBMUJFWSA-N 0 3 278.371 2.832 20 30 CFEDHN COCCC(C)(C)CNCc1cccc(F)c1C#N ZINC000602018204 350833366 /nfs/dbraw/zinc/83/33/66/350833366.db2.gz WZXGHAPJARVSNE-UHFFFAOYSA-N 0 3 264.344 2.850 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2cccc(F)c2C#N)[C@H](C)O1 ZINC000602020695 350833987 /nfs/dbraw/zinc/83/39/87/350833987.db2.gz RZJRGJABWGJJMO-MDZLAQPJSA-N 0 3 262.328 2.600 20 30 CFEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC000602100775 350840519 /nfs/dbraw/zinc/84/05/19/350840519.db2.gz DBWKAAJYNPPMPE-CZUORRHYSA-N 0 3 279.428 2.553 20 30 CFEDHN C[C@H]1CCCCN1CCNCc1cccc(F)c1C#N ZINC000602004054 350827998 /nfs/dbraw/zinc/82/79/98/350827998.db2.gz JYTGPXZKJNKEPD-ZDUSSCGKSA-N 0 3 275.371 2.661 20 30 CFEDHN CC(C)C[C@H](CNCc1cccc(F)c1C#N)N(C)C ZINC000602005181 350828217 /nfs/dbraw/zinc/82/82/17/350828217.db2.gz NMAUKRQSYKRSLK-CQSZACIVSA-N 0 3 277.387 2.763 20 30 CFEDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cccc(C#N)n1 ZINC000602482338 350900736 /nfs/dbraw/zinc/90/07/36/350900736.db2.gz FLCFRVNLCSCSMZ-HOTGVXAUSA-N 0 3 287.407 2.979 20 30 CFEDHN CO[C@]1(C)C[C@@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602482896 350901237 /nfs/dbraw/zinc/90/12/37/350901237.db2.gz JHIMUCRILBLIEZ-GDBMZVCRSA-N 0 3 273.380 2.589 20 30 CFEDHN C[C@H](CCC#N)CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000602484039 350902247 /nfs/dbraw/zinc/90/22/47/350902247.db2.gz KVDSXQFUBDKBHM-BFUOFWGJSA-N 0 3 278.421 2.796 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000602596548 350940028 /nfs/dbraw/zinc/94/00/28/350940028.db2.gz PWFWAURRBJDRJE-WTANOLMUSA-N 0 3 278.421 2.636 20 30 CFEDHN N#Cc1cccc(CNCC2(c3ccc(F)cc3)CC2)n1 ZINC000602516441 350912129 /nfs/dbraw/zinc/91/21/29/350912129.db2.gz LTTUQBHEJOVMSF-UHFFFAOYSA-N 0 3 281.334 2.914 20 30 CFEDHN CN(CCCCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602518880 350913267 /nfs/dbraw/zinc/91/32/67/350913267.db2.gz RZZPZOPFNSHJPA-UHFFFAOYSA-N 0 3 294.402 2.959 20 30 CFEDHN CCCOc1ncccc1CNC[C@H](C)CCC#N ZINC000602525619 350914104 /nfs/dbraw/zinc/91/41/04/350914104.db2.gz BCSWIRSASIITJQ-CYBMUJFWSA-N 0 3 261.369 2.900 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(O)c1 ZINC000602524912 350914235 /nfs/dbraw/zinc/91/42/35/350914235.db2.gz ARMRBJJCLQFSTQ-ZDUSSCGKSA-N 0 3 274.364 2.581 20 30 CFEDHN CCN(CC)[C@@H](CNCc1cccc(C#N)n1)c1ccco1 ZINC000602525832 350915276 /nfs/dbraw/zinc/91/52/76/350915276.db2.gz SNMGLPKAWGJDGF-INIZCTEOSA-N 0 3 298.390 2.719 20 30 CFEDHN Cc1nc2ccccc2nc1CNCCCCC#N ZINC000602542361 350918438 /nfs/dbraw/zinc/91/84/38/350918438.db2.gz VVTLTOOYNGUIBZ-UHFFFAOYSA-N 0 3 254.337 2.722 20 30 CFEDHN N#Cc1cccc(CNCCc2nc3c(s2)CCCC3)n1 ZINC000602545405 350919172 /nfs/dbraw/zinc/91/91/72/350919172.db2.gz NRYHUTPDCHRRGD-UHFFFAOYSA-N 0 3 298.415 2.621 20 30 CFEDHN C=CCSCCNCc1cc(C(=O)OC)cs1 ZINC000602545879 350919351 /nfs/dbraw/zinc/91/93/51/350919351.db2.gz RCSFTEBWUBURSK-UHFFFAOYSA-N 0 3 271.407 2.544 20 30 CFEDHN C[C@H](NCc1cccc(C#N)n1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000602564368 350925728 /nfs/dbraw/zinc/92/57/28/350925728.db2.gz MHLNPFMVQUGCAS-LXIYXOSZSA-N 0 3 293.370 2.996 20 30 CFEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000602564370 350925876 /nfs/dbraw/zinc/92/58/76/350925876.db2.gz MHLNPFMVQUGCAS-ZJNRKIDTSA-N 0 3 293.370 2.996 20 30 CFEDHN CC(C)C[C@@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602585394 350935166 /nfs/dbraw/zinc/93/51/66/350935166.db2.gz PLYXFRWYLKOIRY-XJKSGUPXSA-N 0 3 273.380 2.637 20 30 CFEDHN C[C@H](CCC#N)CN1CCCN(c2nccs2)CC1 ZINC000602456922 350889325 /nfs/dbraw/zinc/88/93/25/350889325.db2.gz XTOFXRUUPZVGFO-CYBMUJFWSA-N 0 3 278.425 2.595 20 30 CFEDHN CCCN(Cc1cccc(C#N)n1)C[C@H]1CCCCO1 ZINC000602464082 350891019 /nfs/dbraw/zinc/89/10/19/350891019.db2.gz JAXJJUKKVAARCC-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN C[C@H](c1cccnc1)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602466538 350892202 /nfs/dbraw/zinc/89/22/02/350892202.db2.gz AOMLMABOTINHJX-JKSUJKDBSA-N 0 3 286.423 2.700 20 30 CFEDHN Cn1c(CNCC2(CC#N)CC2)cc2ccccc21 ZINC000602642358 350958872 /nfs/dbraw/zinc/95/88/72/350958872.db2.gz KICLYDCFMHWBNL-UHFFFAOYSA-N 0 3 253.349 2.962 20 30 CFEDHN COC[C@H](Cc1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC000602646091 350959954 /nfs/dbraw/zinc/95/99/54/350959954.db2.gz QADQNOHYRFUUDY-SFHVURJKSA-N 0 3 295.386 2.643 20 30 CFEDHN C=CCCC(C)(C)CNCc1cn(C)nc1C(=O)OCC ZINC000602735687 351007561 /nfs/dbraw/zinc/00/75/61/351007561.db2.gz WVTSBJSGBZQDBE-UHFFFAOYSA-N 0 3 293.411 2.679 20 30 CFEDHN N#CC1CCC(NCc2noc3c2CCCC3)CC1 ZINC000602664013 350966529 /nfs/dbraw/zinc/96/65/29/350966529.db2.gz NERKVERGTBUZTE-UHFFFAOYSA-N 0 3 259.353 2.725 20 30 CFEDHN CC1(C)CN(Cc2cccc(C#N)n2)[C@H]2CCC[C@@H]21 ZINC000602675717 350972856 /nfs/dbraw/zinc/97/28/56/350972856.db2.gz ISGYIIJLVWQNEH-GJZGRUSLSA-N 0 3 255.365 2.964 20 30 CFEDHN COc1cc(C)c([C@@H](C)N2CC[C@](O)(CC#N)C2)cc1C ZINC000602696899 350984436 /nfs/dbraw/zinc/98/44/36/350984436.db2.gz LRHGFTMFYAXXHK-RHSMWYFYSA-N 0 3 288.391 2.724 20 30 CFEDHN C[C@@H](CCC#N)CNCc1cnc(C(F)(F)F)nc1 ZINC000602704035 350988658 /nfs/dbraw/zinc/98/86/58/350988658.db2.gz AZFNQMRCOBCQJC-VIFPVBQESA-N 0 3 272.274 2.525 20 30 CFEDHN C=CCCSCCNCc1cc(OC)ns1 ZINC000602709248 350992132 /nfs/dbraw/zinc/99/21/32/350992132.db2.gz IRTMBKREDNKBDJ-UHFFFAOYSA-N 0 3 258.412 2.551 20 30 CFEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000602607094 350943307 /nfs/dbraw/zinc/94/33/07/350943307.db2.gz GXNHGNGQIRXIOR-YXAMBPQSSA-N 0 3 258.365 2.936 20 30 CFEDHN C[C@H](CCC#N)CN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000602610929 350945404 /nfs/dbraw/zinc/94/54/04/350945404.db2.gz KGXKSSNBJDEKDJ-DGCLKSJQSA-N 0 3 292.345 2.952 20 30 CFEDHN Cc1ccc2c(c1)nc(CNC[C@H](C)CCC#N)n2C ZINC000602617177 350948213 /nfs/dbraw/zinc/94/82/13/350948213.db2.gz BCVVADGKYSXFFA-CYBMUJFWSA-N 0 3 270.380 2.911 20 30 CFEDHN N#CCC1(CN2CCCN(c3ccccc3)CC2)CC1 ZINC000602767458 351018580 /nfs/dbraw/zinc/01/85/80/351018580.db2.gz HSHRDLDVPKDMBI-UHFFFAOYSA-N 0 3 269.392 2.893 20 30 CFEDHN C[C@H](O)CN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602780788 351022724 /nfs/dbraw/zinc/02/27/24/351022724.db2.gz RYPFHZMBBJGEBL-AWEZNQCLSA-N 0 3 258.365 2.563 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)CC2(CC#N)CC2)C12CCC2 ZINC000602789184 351026272 /nfs/dbraw/zinc/02/62/72/351026272.db2.gz VJGOMYOGIHUBLP-KGLIPLIRSA-N 0 3 262.397 2.960 20 30 CFEDHN N#CCC1(CN2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000602806357 351032602 /nfs/dbraw/zinc/03/26/02/351032602.db2.gz RVMDNIDUXKKQJC-HNNXBMFYSA-N 0 3 255.365 2.640 20 30 CFEDHN N#CCC1CCN(Cc2cccc3c2CCOC3)CC1 ZINC000602807317 351032734 /nfs/dbraw/zinc/03/27/34/351032734.db2.gz RPEBOBXWZYKKHO-UHFFFAOYSA-N 0 3 270.376 2.885 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC=C(c2cnn(C)c2)C1 ZINC000602883952 351057260 /nfs/dbraw/zinc/05/72/60/351057260.db2.gz TWKDCABVPHKERB-UHFFFAOYSA-N 0 3 292.386 2.890 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](n2ccnn2)CC1 ZINC000602889767 351058411 /nfs/dbraw/zinc/05/84/11/351058411.db2.gz VCQZSTRURCFRTH-RHSMWYFYSA-N 0 3 295.390 2.938 20 30 CFEDHN N#CCC1(CNC2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000602893498 351059165 /nfs/dbraw/zinc/05/91/65/351059165.db2.gz BRXALRPIKVROSY-UHFFFAOYSA-N 0 3 295.386 2.847 20 30 CFEDHN Cc1ccccc1OCCN(C)CC1(CC#N)CC1 ZINC000602756846 351015104 /nfs/dbraw/zinc/01/51/04/351015104.db2.gz ANXPRVXBHBSCEQ-UHFFFAOYSA-N 0 3 258.365 3.000 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000603227688 351121831 /nfs/dbraw/zinc/12/18/31/351121831.db2.gz OCBHTEHGWIHYBI-NHYWBVRUSA-N 0 3 283.379 2.805 20 30 CFEDHN COC(=O)[C@@]1(C)CN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000602929767 351068948 /nfs/dbraw/zinc/06/89/48/351068948.db2.gz VORHACQABRCREZ-DCGLDWPTSA-N 0 3 286.375 2.750 20 30 CFEDHN CN(CCCCCn1cccn1)[C@H]1CCC[C@@H]1C#N ZINC000602978983 351080274 /nfs/dbraw/zinc/08/02/74/351080274.db2.gz ZLLSXTYPOUGEQD-CABCVRRESA-N 0 3 260.385 2.677 20 30 CFEDHN CN(CCN(C)[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000602981352 351082800 /nfs/dbraw/zinc/08/28/00/351082800.db2.gz BTIOYHJWBAAPTE-IAGOWNOFSA-N 0 3 271.408 2.742 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1F ZINC000602997522 351088154 /nfs/dbraw/zinc/08/81/54/351088154.db2.gz MAJXNEAEUYGPMK-UAGQMJEPSA-N 0 3 288.366 2.823 20 30 CFEDHN C=CCCSCCNCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000603433865 351163801 /nfs/dbraw/zinc/16/38/01/351163801.db2.gz WWKHSUBLHVWDOF-UHFFFAOYSA-N 0 3 277.393 2.667 20 30 CFEDHN C[C@H]1CCCCN1CCNc1nc2c(cc1C#N)CCC2 ZINC000603858083 351187335 /nfs/dbraw/zinc/18/73/35/351187335.db2.gz GCEVUWPAQQQXFJ-ZDUSSCGKSA-N 0 3 284.407 2.728 20 30 CFEDHN C=CCN1CCC(Nc2ccc(C#N)cc2COC)CC1 ZINC000603289794 351131429 /nfs/dbraw/zinc/13/14/29/351131429.db2.gz GZZMWFNILDTASJ-UHFFFAOYSA-N 0 3 285.391 2.767 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000603326271 351139360 /nfs/dbraw/zinc/13/93/60/351139360.db2.gz NPBJSWZWEGRWHF-KPXOXKRLSA-N 0 3 282.265 2.837 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000271431447 191133105 /nfs/dbraw/zinc/13/31/05/191133105.db2.gz DDWJVOFEXVWODU-QWHCGFSZSA-N 0 3 269.348 2.834 20 30 CFEDHN N#CCN1CCC(NCc2cc3ccccc3o2)CC1 ZINC000609334686 351497376 /nfs/dbraw/zinc/49/73/76/351497376.db2.gz BBVMULXMPIUUSN-UHFFFAOYSA-N 0 3 269.348 2.510 20 30 CFEDHN COc1cc2c(cc1CNCCCCC#N)O[C@@H](C)C2 ZINC000609140485 351486830 /nfs/dbraw/zinc/48/68/30/351486830.db2.gz JYHCBIMXGCTEGD-LBPRGKRZSA-N 0 3 274.364 2.802 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000609921209 351528167 /nfs/dbraw/zinc/52/81/67/351528167.db2.gz ZMPAHEJTPKEBNL-NSHDSACASA-N 0 3 260.337 2.640 20 30 CFEDHN CC(C#N)C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000609920893 351528440 /nfs/dbraw/zinc/52/84/40/351528440.db2.gz LYXSWKJFCGWKRE-FVQBIDKESA-N 0 3 286.375 2.772 20 30 CFEDHN CC(C#N)C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000609920161 351528868 /nfs/dbraw/zinc/52/88/68/351528868.db2.gz OQNSZBAWXSLAES-UONOGXRCSA-N 0 3 297.402 2.588 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(COCc2ccco2)c1 ZINC000609920283 351528877 /nfs/dbraw/zinc/52/88/77/351528877.db2.gz YWWQHWQPJDVXJJ-CYBMUJFWSA-N 0 3 298.342 2.772 20 30 CFEDHN COc1ccccc1[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000610426679 351566072 /nfs/dbraw/zinc/56/60/72/351566072.db2.gz BEKMBYWSLMGYHC-OCCSQVGLSA-N 0 3 272.348 2.908 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(C#N)s1 ZINC000610511488 351575332 /nfs/dbraw/zinc/57/53/32/351575332.db2.gz UKQQPJWAVNGALG-MLGOLLRUSA-N 0 3 286.400 2.874 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc(F)cc(F)c1 ZINC000610813704 351612304 /nfs/dbraw/zinc/61/23/04/351612304.db2.gz QEWITPSFEWYWEH-LLVKDONJSA-N 0 3 279.334 2.603 20 30 CFEDHN CCN(CC)C(=O)C[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610830067 351613536 /nfs/dbraw/zinc/61/35/36/351613536.db2.gz AZGMMVDQVGOJDL-UONOGXRCSA-N 0 3 287.407 2.856 20 30 CFEDHN N#Cc1ccc(CNC(=O)CN2C3CCCC2CCC3)cc1 ZINC000610370126 351560895 /nfs/dbraw/zinc/56/08/95/351560895.db2.gz VYYSYLOXAWZCBI-UHFFFAOYSA-N 0 3 297.402 2.581 20 30 CFEDHN N#Cc1cccc(OCCCN2CC[C@@H](C(F)F)C2)c1 ZINC000611180176 351648408 /nfs/dbraw/zinc/64/84/08/351648408.db2.gz TUASWTWRCQUTNF-CYBMUJFWSA-N 0 3 280.318 2.914 20 30 CFEDHN CC(C)(C)NC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611249178 351656838 /nfs/dbraw/zinc/65/68/38/351656838.db2.gz ZMLJZXIRUFMVLS-LBPRGKRZSA-N 0 3 267.332 2.757 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N(C)CC1=CCCOC1 ZINC000611254335 351657747 /nfs/dbraw/zinc/65/77/47/351657747.db2.gz UGNCGVJBMTWXGT-CYBMUJFWSA-N 0 3 256.349 2.898 20 30 CFEDHN N#CCN1CCC(NCc2ccc(F)cc2Cl)CC1 ZINC000610860062 351615521 /nfs/dbraw/zinc/61/55/21/351615521.db2.gz WEFBJOQUMFAVAG-UHFFFAOYSA-N 0 3 281.762 2.557 20 30 CFEDHN COc1ccccc1CCN(C)Cc1ccnc(C#N)c1 ZINC000610992450 351630462 /nfs/dbraw/zinc/63/04/62/351630462.db2.gz GDBNCNOAVLELSN-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000610994515 351631018 /nfs/dbraw/zinc/63/10/18/351631018.db2.gz SGNWSOSDCXCXCS-HZPDHXFCSA-N 0 3 285.391 2.733 20 30 CFEDHN CCCN(Cc1ccnc(C#N)c1)C[C@H]1CCCCO1 ZINC000610993306 351631662 /nfs/dbraw/zinc/63/16/62/351631662.db2.gz KNDDZFRLNVVXML-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN C[C@H](NCCC(=O)N1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000611386109 351678285 /nfs/dbraw/zinc/67/82/85/351678285.db2.gz CQRMKAPEVIJSLN-KGLIPLIRSA-N 0 3 285.391 2.610 20 30 CFEDHN Cc1cc(C)n(CCN[C@@H](C)c2cccc(C#N)c2)n1 ZINC000611388746 351679611 /nfs/dbraw/zinc/67/96/11/351679611.db2.gz MFPLTORIAPZCFJ-AWEZNQCLSA-N 0 3 268.364 2.722 20 30 CFEDHN C=CCOCCNCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611543887 351706512 /nfs/dbraw/zinc/70/65/12/351706512.db2.gz GRBGLMRPNZXIKZ-UHFFFAOYSA-N 0 3 291.391 2.934 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000611431870 351689103 /nfs/dbraw/zinc/68/91/03/351689103.db2.gz DUFIYUZVKHISQW-IXDOHACOSA-N 0 3 277.456 2.978 20 30 CFEDHN C[C@@H](N[C@H](C)C(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000611470165 351693881 /nfs/dbraw/zinc/69/38/81/351693881.db2.gz JGFRSKUIWDCTDJ-NXEZZACHSA-N 0 3 250.317 2.507 20 30 CFEDHN CN1CC[C@H]2CCN(c3cc(C#N)nc4ccccc43)[C@@H]2C1 ZINC000611510201 351701881 /nfs/dbraw/zinc/70/18/81/351701881.db2.gz GCXMWBTXUAAVTB-SCLBCKFNSA-N 0 3 292.386 2.637 20 30 CFEDHN C[C@@H]1CC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000611696398 351724788 /nfs/dbraw/zinc/72/47/88/351724788.db2.gz ADFXTVHGVOCKBM-CZUORRHYSA-N 0 3 255.365 2.965 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000611559856 351708797 /nfs/dbraw/zinc/70/87/97/351708797.db2.gz CBIOJEOYKLXLDI-LBPRGKRZSA-N 0 3 294.351 2.847 20 30 CFEDHN CN(CCOC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000612092337 351773301 /nfs/dbraw/zinc/77/33/01/351773301.db2.gz TXWDGRHLMKGXBT-UHFFFAOYSA-N 0 3 260.381 3.000 20 30 CFEDHN N#Cc1csc(CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000612402080 351814693 /nfs/dbraw/zinc/81/46/93/351814693.db2.gz DVKXRTVNGWUKMU-AWEZNQCLSA-N 0 3 276.405 2.868 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ccc(F)cc2C#N)CN1C1CC1 ZINC000123033481 187067651 /nfs/dbraw/zinc/06/76/51/187067651.db2.gz KGHQRMYLDVKJHP-ZWNOBZJWSA-N 0 3 259.328 2.734 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)CC)cc1Cl ZINC000291758307 198082036 /nfs/dbraw/zinc/08/20/36/198082036.db2.gz RCFARARUEAXRNR-LBPRGKRZSA-N 0 3 269.772 2.765 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)[C@@H](C)C1 ZINC000122982608 187063966 /nfs/dbraw/zinc/06/39/66/187063966.db2.gz CNWYNFOUQXBLTO-KBPBESRZSA-N 0 3 288.391 2.924 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)[C@H](O)Cc1ccccc1 ZINC000123326457 187085097 /nfs/dbraw/zinc/08/50/97/187085097.db2.gz YYIDXVDBGHSKFA-KBXCAEBGSA-N 0 3 280.371 2.640 20 30 CFEDHN COCC[C@H](Cc1cccc(F)c1)NCC(C)(C)C#N ZINC000612879932 351874308 /nfs/dbraw/zinc/87/43/08/351874308.db2.gz SRLFEDWZNMRNGW-OAHLLOKOSA-N 0 3 278.371 2.913 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1C[C@@H](C)O ZINC000123833243 187111075 /nfs/dbraw/zinc/11/10/75/187111075.db2.gz CVRMRDSOGOHDML-CJNGLKHVSA-N 0 3 288.391 2.692 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cc(C#N)ccc1F ZINC000613390139 351949403 /nfs/dbraw/zinc/94/94/03/351949403.db2.gz YSFBCZUYUCCBPK-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000613490780 351969530 /nfs/dbraw/zinc/96/95/30/351969530.db2.gz XCDHMNPWJBEBDC-UONOGXRCSA-N 0 3 289.375 2.691 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)C1CC1 ZINC000614169691 352055906 /nfs/dbraw/zinc/05/59/06/352055906.db2.gz KYTQEZPSGZEYSE-MRXNPFEDSA-N 0 3 272.392 2.690 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000614171700 352056214 /nfs/dbraw/zinc/05/62/14/352056214.db2.gz XDFUIYZZEDRDGW-UHFFFAOYSA-N 0 3 272.392 2.835 20 30 CFEDHN CN(CCc1cnccn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176876 352057053 /nfs/dbraw/zinc/05/70/53/352057053.db2.gz RYDZJMWAVWVDAW-UHFFFAOYSA-N 0 3 294.402 2.952 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1ccnc(C#N)c1 ZINC000614227391 352065549 /nfs/dbraw/zinc/06/55/49/352065549.db2.gz GWYISOLPLXMXCD-HZPDHXFCSA-N 0 3 273.380 2.637 20 30 CFEDHN C=CCOCCNCc1cccc(C(F)(F)F)c1 ZINC000310747246 539831216 /nfs/dbraw/zinc/83/12/16/539831216.db2.gz GVXHBABCBJZKNX-UHFFFAOYSA-N 0 3 259.271 2.998 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(C)C[C@@H]1CC ZINC000614329801 352080067 /nfs/dbraw/zinc/08/00/67/352080067.db2.gz IWJAFRFUXIHGIS-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN CCC1(O)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614401949 352090477 /nfs/dbraw/zinc/09/04/77/352090477.db2.gz CDTLZSJWXVYAEV-UHFFFAOYSA-N 0 3 258.365 2.604 20 30 CFEDHN CCCC(=O)NC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000614529057 352101241 /nfs/dbraw/zinc/10/12/41/352101241.db2.gz ZANWRCHFVCJPGH-AWEZNQCLSA-N 0 3 299.418 3.000 20 30 CFEDHN C=CCN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271463786 191152225 /nfs/dbraw/zinc/15/22/25/191152225.db2.gz QDDPSKAVOMVEPH-UHFFFAOYSA-N 0 3 262.309 2.624 20 30 CFEDHN C[C@@H]1CN(c2cc(C#N)nc3ccccc32)[C@@H](C)CN1C ZINC000615496128 352199051 /nfs/dbraw/zinc/19/90/51/352199051.db2.gz FIHPALUUAWHBER-OLZOCXBDSA-N 0 3 280.375 2.635 20 30 CFEDHN CC(=O)[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000615576433 352209246 /nfs/dbraw/zinc/20/92/46/352209246.db2.gz DCFSPFAIHGHVHP-IRXDYDNUSA-N 0 3 298.386 2.729 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1ccc2ccccc2n1)C1CC1 ZINC000616177127 352296532 /nfs/dbraw/zinc/29/65/32/352296532.db2.gz ZDHNPCSNLGGABD-BXUZGUMPSA-N 0 3 279.343 2.757 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085163488 781929375 /nfs/dbraw/zinc/92/93/75/781929375.db2.gz RUMGIYLBWXCSDI-KHMAMNHCSA-N 0 3 296.842 2.802 20 30 CFEDHN C=CCN(CCC(=O)Nc1cccc(OC)c1)C1CC1 ZINC000271545690 191203830 /nfs/dbraw/zinc/20/38/30/191203830.db2.gz ZMCBPHIVDPWMJQ-UHFFFAOYSA-N 0 3 274.364 2.674 20 30 CFEDHN COCCN(Cc1ccnc(C#N)c1)[C@@H]1CC[C@H](C)C1 ZINC000616873157 352435921 /nfs/dbraw/zinc/43/59/21/352435921.db2.gz VWWASMAVZIHZOH-XJKSGUPXSA-N 0 3 273.380 2.590 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617011281 352463344 /nfs/dbraw/zinc/46/33/44/352463344.db2.gz BCRPJCGTEKKSAQ-AWEZNQCLSA-N 0 3 264.413 2.744 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617010355 352464045 /nfs/dbraw/zinc/46/40/45/352464045.db2.gz NTUDXQILQNPRMJ-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(CC)CC ZINC000617036712 352473707 /nfs/dbraw/zinc/47/37/07/352473707.db2.gz DGZUKGLSVWQTGQ-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC000617039165 352474729 /nfs/dbraw/zinc/47/47/29/352474729.db2.gz DCZWFYNVUIHPSJ-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000617042825 352477994 /nfs/dbraw/zinc/47/79/94/352477994.db2.gz WDNYBOFCWHAHOE-HZPDHXFCSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617344202 352545354 /nfs/dbraw/zinc/54/53/54/352545354.db2.gz CSGQCASDLGUEPH-IUODEOHRSA-N 0 3 252.402 2.578 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN([C@H]3C=CCCC3)C2)nc1 ZINC000292089390 198159503 /nfs/dbraw/zinc/15/95/03/198159503.db2.gz FIXOGAQGEPRYSW-LSDHHAIUSA-N 0 3 269.348 2.515 20 30 CFEDHN Cc1cc(CNCc2ccc([S@@](C)=O)cc2)ccc1C#N ZINC000618194458 352735937 /nfs/dbraw/zinc/73/59/37/352735937.db2.gz ONXLCPUEWAQIDP-OAQYLSRUSA-N 0 3 298.411 2.894 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000618271608 352743796 /nfs/dbraw/zinc/74/37/96/352743796.db2.gz DAAXNJBRGATMIZ-INIZCTEOSA-N 0 3 293.455 2.503 20 30 CFEDHN C[S@](=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000618571853 352814682 /nfs/dbraw/zinc/81/46/82/352814682.db2.gz DZPLIKVSQFUHDX-KSMMKXTCSA-N 0 3 276.405 2.596 20 30 CFEDHN Cn1ccc(CN[C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742198 352876259 /nfs/dbraw/zinc/87/62/59/352876259.db2.gz KXAMHDRJZWSTOA-INIZCTEOSA-N 0 3 251.333 2.674 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(C)ccc1OC ZINC000271646584 191257749 /nfs/dbraw/zinc/25/77/49/191257749.db2.gz IHERXNBGULIPPU-ZIAGYGMSSA-N 0 3 263.381 2.981 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC1CCN(c2ccccc2)CC1 ZINC000619506616 353030430 /nfs/dbraw/zinc/03/04/30/353030430.db2.gz KZYKDUDMORDPGS-KRWDZBQOSA-N 0 3 296.418 2.936 20 30 CFEDHN C#CCCCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000292259417 198220726 /nfs/dbraw/zinc/22/07/26/198220726.db2.gz SPHQIVBQESNTOT-CQSZACIVSA-N 0 3 260.385 2.819 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)CN1C1CC1 ZINC000619748623 353063374 /nfs/dbraw/zinc/06/33/74/353063374.db2.gz PFQHULJMSDVFLD-BXUZGUMPSA-N 0 3 289.810 2.926 20 30 CFEDHN N#CC1CCC(CNCc2cn3cccc(F)c3n2)CC1 ZINC000619655175 353044588 /nfs/dbraw/zinc/04/45/88/353044588.db2.gz URBPKGUHCOQNLH-UHFFFAOYSA-N 0 3 286.354 2.893 20 30 CFEDHN C=C(C)COc1cc(CN[C@@](C)(CC)CO)ccc1OC ZINC000152172701 188000244 /nfs/dbraw/zinc/00/02/44/188000244.db2.gz JJQMKSVBAZWTQM-KRWDZBQOSA-N 0 3 293.407 2.901 20 30 CFEDHN C[C@H](O)C[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000152950337 188054807 /nfs/dbraw/zinc/05/48/07/188054807.db2.gz AVZFNQKRMDUCAS-DZGCQCFKSA-N 0 3 283.375 2.546 20 30 CFEDHN CC(C)[C@@H]1N(C[C@@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000292341862 198251223 /nfs/dbraw/zinc/25/12/23/198251223.db2.gz DJXOZOUYBQDAEL-CVEARBPZSA-N 0 3 272.392 2.958 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000156147106 188245158 /nfs/dbraw/zinc/24/51/58/188245158.db2.gz LLVIFPLBAHJEAM-HNNXBMFYSA-N 0 3 286.419 2.858 20 30 CFEDHN Clc1cccc(C#CCN2CCN(CC3CC3)CC2)c1 ZINC000156241409 188251612 /nfs/dbraw/zinc/25/16/12/188251612.db2.gz RRMFRECCKCVEFA-UHFFFAOYSA-N 0 3 288.822 2.719 20 30 CFEDHN COc1cccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)c1 ZINC000271681437 191273872 /nfs/dbraw/zinc/27/38/72/191273872.db2.gz OYJSQINNSPZYQK-ACJLOTCBSA-N 0 3 296.370 2.951 20 30 CFEDHN CC(C)C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156527443 188267621 /nfs/dbraw/zinc/26/76/21/188267621.db2.gz XAWVLVDGSPKQKC-QGZVFWFLSA-N 0 3 272.392 2.960 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CCO[C@H](C2CC2)C1 ZINC000157135233 188298891 /nfs/dbraw/zinc/29/88/91/188298891.db2.gz OEZQYKFIBJMZSQ-WMZOPIPTSA-N 0 3 285.387 2.746 20 30 CFEDHN C#CCN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000157197286 188303452 /nfs/dbraw/zinc/30/34/52/188303452.db2.gz UVPAPCOZKJBDTJ-SNVBAGLBSA-N 0 3 257.255 2.912 20 30 CFEDHN CC(C)(C#N)CCN1CCN(CCc2ccccc2)CC1 ZINC000157505452 188322333 /nfs/dbraw/zinc/32/23/33/188322333.db2.gz XBVOCNXHJRCWDB-UHFFFAOYSA-N 0 3 285.435 2.787 20 30 CFEDHN C=C[C@H](C)NCc1ccnn1CCc1ccccc1 ZINC000621340999 353329178 /nfs/dbraw/zinc/32/91/78/353329178.db2.gz YAADLBPEJZQXIQ-AWEZNQCLSA-N 0 3 255.365 2.790 20 30 CFEDHN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000292585563 198341569 /nfs/dbraw/zinc/34/15/69/198341569.db2.gz ZTXWGHOVPCSODL-KGLIPLIRSA-N 0 3 287.407 2.761 20 30 CFEDHN C=CCCOCCN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621755891 353419312 /nfs/dbraw/zinc/41/93/12/353419312.db2.gz DFNJJUAZTRJFCU-MRXNPFEDSA-N 0 3 288.391 2.667 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292695341 198379643 /nfs/dbraw/zinc/37/96/43/198379643.db2.gz KMEFWYPKKCLFBZ-SJORKVTESA-N 0 3 289.419 2.807 20 30 CFEDHN C=CCC[C@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623234883 353598681 /nfs/dbraw/zinc/59/86/81/353598681.db2.gz AORDKWBFQLRCJO-WFASDCNBSA-N 0 3 258.365 2.644 20 30 CFEDHN C=CCCNCc1cc(C)c(Br)cn1 ZINC000623563975 353673664 /nfs/dbraw/zinc/67/36/64/353673664.db2.gz OPNJWKSADDZFKX-UHFFFAOYSA-N 0 3 255.159 2.818 20 30 CFEDHN C=CC(C)(C)CCNCc1cc(C(N)=O)cs1 ZINC000623593011 353680660 /nfs/dbraw/zinc/68/06/60/353680660.db2.gz OVDLIXJREMHJHC-UHFFFAOYSA-N 0 3 252.383 2.539 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)C1 ZINC000623601406 353682739 /nfs/dbraw/zinc/68/27/39/353682739.db2.gz CGWOWDHTPZGDGT-ARFHVFGLSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623927996 353761412 /nfs/dbraw/zinc/76/14/12/353761412.db2.gz AUYRIQWQPHYSPA-CABCVRRESA-N 0 3 299.418 2.922 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624546166 353903158 /nfs/dbraw/zinc/90/31/58/353903158.db2.gz JJEWUFDTROCPAN-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CC1(O)CCC1 ZINC000625380321 354037645 /nfs/dbraw/zinc/03/76/45/354037645.db2.gz GUQBCCHYLMQNSK-KRWDZBQOSA-N 0 3 289.419 2.731 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775187 354108317 /nfs/dbraw/zinc/10/83/17/354108317.db2.gz NUVIEPIYCJJSRG-KFWWJZLASA-N 0 3 294.464 2.545 20 30 CFEDHN OC[C@]12CCC[C@H]1CN(CC#Cc1ccc(Cl)cc1)C2 ZINC000626013629 354170098 /nfs/dbraw/zinc/17/00/98/354170098.db2.gz SBEXBIQUHCBZJN-DOTOQJQBSA-N 0 3 289.806 2.786 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626126231 354203604 /nfs/dbraw/zinc/20/36/04/354203604.db2.gz KEHVCQNYACWYFZ-DZGCQCFKSA-N 0 3 279.355 2.561 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000628258517 354508578 /nfs/dbraw/zinc/50/85/78/354508578.db2.gz HJWJRWJBDYSQHU-TZMCWYRMSA-N 0 3 262.353 2.623 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000628258514 354508617 /nfs/dbraw/zinc/50/86/17/354508617.db2.gz HJWJRWJBDYSQHU-GXTWGEPZSA-N 0 3 262.353 2.623 20 30 CFEDHN CC#CCCCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000628544618 354625980 /nfs/dbraw/zinc/62/59/80/354625980.db2.gz SLQVFNRUMOFBCR-MRXNPFEDSA-N 0 3 276.424 2.703 20 30 CFEDHN CC(C)OCCCNC1(c2cccc(C#N)c2)CC1 ZINC000271758812 191309478 /nfs/dbraw/zinc/30/94/78/191309478.db2.gz HKMTUDFOUCTABN-UHFFFAOYSA-N 0 3 258.365 2.952 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 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C=CCNC(=O)CN[C@H](C)c1ccc(C2CCC2)cc1 ZINC000631610472 355514091 /nfs/dbraw/zinc/51/40/91/355514091.db2.gz BLGVGHUFFKCBKX-CYBMUJFWSA-N 0 3 272.392 2.907 20 30 CFEDHN C=CCOCCN[C@@H](CC)c1cccc(OC)c1OC ZINC000631617814 355516253 /nfs/dbraw/zinc/51/62/53/355516253.db2.gz YKBLSTNCABTLLS-AWEZNQCLSA-N 0 3 279.380 2.947 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000632159771 355656164 /nfs/dbraw/zinc/65/61/64/355656164.db2.gz MHXBNKWVYFYPID-JKSUJKDBSA-N 0 3 284.403 2.904 20 30 CFEDHN C=CCN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287583833 540193529 /nfs/dbraw/zinc/19/35/29/540193529.db2.gz XQHGBMJHDZHEFS-UHFFFAOYSA-N 0 3 279.315 2.796 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000632483073 355707798 /nfs/dbraw/zinc/70/77/98/355707798.db2.gz QDCCXTJVYXIMJE-RDJZCZTQSA-N 0 3 298.430 2.979 20 30 CFEDHN N#Cc1ccc(CN2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000363410091 283140192 /nfs/dbraw/zinc/14/01/92/283140192.db2.gz CCDRUSKSXQBOOS-HOTGVXAUSA-N 0 3 256.349 2.702 20 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CFEDHN C=CCOCCN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000294559124 199086136 /nfs/dbraw/zinc/08/61/36/199086136.db2.gz LHSDNFFFVMKZLO-KRWDZBQOSA-N 0 3 289.375 2.701 20 30 CFEDHN C=CCCN(C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000294735805 199158723 /nfs/dbraw/zinc/15/87/23/199158723.db2.gz WNHWOGFFOAIPBL-CZUORRHYSA-N 0 3 290.382 2.996 20 30 CFEDHN CO[C@@H](CNCc1cccc(C#N)c1)Cc1ccccc1 ZINC000294864878 199221280 /nfs/dbraw/zinc/22/12/80/199221280.db2.gz UDIDCVFJSAPRBR-GOSISDBHSA-N 0 3 280.371 2.906 20 30 CFEDHN C[C@H](CC(C)(C)O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000296542122 199926893 /nfs/dbraw/zinc/92/68/93/199926893.db2.gz RCAVXTUTPOLRCY-MNOVXSKESA-N 0 3 264.344 2.897 20 30 CFEDHN C=CCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000665942657 540469399 /nfs/dbraw/zinc/46/93/99/540469399.db2.gz ISKBRRZYZLOSRM-AWEZNQCLSA-N 0 3 295.814 2.818 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000666756576 540577317 /nfs/dbraw/zinc/57/73/17/540577317.db2.gz UBXTVTNLQDZDPY-HZPDHXFCSA-N 0 3 293.455 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CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCC1 ZINC000180167594 189240389 /nfs/dbraw/zinc/24/03/89/189240389.db2.gz FTEXSIKBMNMBFU-UHFFFAOYSA-N 0 3 280.375 2.943 20 30 CFEDHN C=CCNC(=O)CN[C@H](CCCC)c1ccc(F)cc1 ZINC000180037626 189233706 /nfs/dbraw/zinc/23/37/06/189233706.db2.gz ZUKFMFKOKFNOQP-OAHLLOKOSA-N 0 3 278.371 2.949 20 30 CFEDHN C=CC[C@@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000681727161 541003129 /nfs/dbraw/zinc/00/31/29/541003129.db2.gz PVFHOZMTJAJZMS-JKSUJKDBSA-N 0 3 272.392 2.557 20 30 CFEDHN CC(C)[C@@H](CO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000180616348 189266042 /nfs/dbraw/zinc/26/60/42/189266042.db2.gz CMGBDMUUGNYEBJ-CQSZACIVSA-N 0 3 285.309 2.663 20 30 CFEDHN C=CCC[C@H](NCCOC[C@H]1CCOC1)c1ccco1 ZINC000671746748 541064823 /nfs/dbraw/zinc/06/48/23/541064823.db2.gz DCOCWUFAAIXQKI-GJZGRUSLSA-N 0 3 279.380 2.930 20 30 CFEDHN CC[C@H](C)[C@H](C)[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183040547 189343925 /nfs/dbraw/zinc/34/39/25/189343925.db2.gz WCMJWZVGUWQZGR-ONGXEEELSA-N 0 3 277.368 2.731 20 30 CFEDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000183040547 189343926 /nfs/dbraw/zinc/34/39/26/189343926.db2.gz WCMJWZVGUWQZGR-ONGXEEELSA-N 0 3 277.368 2.731 20 30 CFEDHN CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183040486 189344133 /nfs/dbraw/zinc/34/41/33/189344133.db2.gz WCMJWZVGUWQZGR-MWLCHTKSSA-N 0 3 277.368 2.731 20 30 CFEDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000183040486 189344134 /nfs/dbraw/zinc/34/41/34/189344134.db2.gz WCMJWZVGUWQZGR-MWLCHTKSSA-N 0 3 277.368 2.731 20 30 CFEDHN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000184659346 189392056 /nfs/dbraw/zinc/39/20/56/189392056.db2.gz GGZWQCUYXFGDJA-GFCCVEGCSA-N 0 3 271.364 2.665 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)N1CCCCC1 ZINC000425532412 239093295 /nfs/dbraw/zinc/09/32/95/239093295.db2.gz JIQSSPBZDHIZOE-OAHLLOKOSA-N 0 3 299.418 2.954 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC[C@H]2CCCN(C)C2)c1 ZINC000302106537 201343631 /nfs/dbraw/zinc/34/36/31/201343631.db2.gz 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ZINC000459786350 245325286 /nfs/dbraw/zinc/32/52/86/245325286.db2.gz CWEGYCAOOKVINH-ZFWWWQNUSA-N 0 3 274.389 2.517 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000677480666 541865924 /nfs/dbraw/zinc/86/59/24/541865924.db2.gz YNPMNYDQJHTWIS-MRXNPFEDSA-N 0 3 285.391 2.679 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000677480206 541865394 /nfs/dbraw/zinc/86/53/94/541865394.db2.gz VEKRTFUMJXODOJ-UKRRQHHQSA-N 0 3 286.375 2.944 20 30 CFEDHN CN(C)CCNc1ccc(C(F)(F)F)cc1C#N ZINC000034974542 372523363 /nfs/dbraw/zinc/52/33/63/372523363.db2.gz LCJUFJKIBDUSSZ-UHFFFAOYSA-N 0 3 257.259 2.551 20 30 CFEDHN CN(CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000042123091 372874018 /nfs/dbraw/zinc/87/40/18/372874018.db2.gz CPODNAVVEAQVGW-UHFFFAOYSA-N 0 3 274.364 2.722 20 30 CFEDHN C=CCN(CC=C)CCC(=O)N1CCc2ccccc21 ZINC000051766985 373409100 /nfs/dbraw/zinc/40/91/00/373409100.db2.gz NAEQRCWHSFZCLR-UHFFFAOYSA-N 0 3 270.376 2.640 20 30 CFEDHN CCOC(=O)C1CCN(Cc2ccc(CC#N)cc2)CC1 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375846075 /nfs/dbraw/zinc/84/60/75/375846075.db2.gz XNEMLSWUGLNPET-HNNXBMFYSA-N 0 3 286.379 2.554 20 30 CFEDHN N#Cc1ccsc1NC(=O)CN(CC1CC1)CC1CC1 ZINC000115563144 376140208 /nfs/dbraw/zinc/14/02/08/376140208.db2.gz CJAFWBMSZRDSLE-UHFFFAOYSA-N 0 3 289.404 2.680 20 30 CFEDHN CN(CCCCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570402 376141142 /nfs/dbraw/zinc/14/11/42/376141142.db2.gz MRZWUBOGNCUFCE-MRXNPFEDSA-N 0 3 285.391 2.808 20 30 CFEDHN CC[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000117345251 376237630 /nfs/dbraw/zinc/23/76/30/376237630.db2.gz SXQVVUNMPFZDJH-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@H]12 ZINC000640101125 383712820 /nfs/dbraw/zinc/71/28/20/383712820.db2.gz OBWBVLTYXMEYRP-OKZBNKHCSA-N 0 3 287.378 2.803 20 30 CFEDHN COCCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000117879526 376264545 /nfs/dbraw/zinc/26/45/45/376264545.db2.gz AICHDSKXSXINFW-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccnc1 ZINC000119092406 376352189 /nfs/dbraw/zinc/35/21/89/376352189.db2.gz UVTIEZUCJDTAKJ-CYBMUJFWSA-N 0 3 267.332 2.683 20 30 CFEDHN COc1cc(CN(CCCC#N)C2CC2)ccc1O ZINC000119618889 376444982 /nfs/dbraw/zinc/44/49/82/376444982.db2.gz QSCPKIGZFBLAAB-UHFFFAOYSA-N 0 3 260.337 2.669 20 30 CFEDHN N#CCSCCCN(Cc1cccnc1)C1CC1 ZINC000119757134 376465731 /nfs/dbraw/zinc/46/57/31/376465731.db2.gz SBBHJQXFIYGFKO-UHFFFAOYSA-N 0 3 261.394 2.693 20 30 CFEDHN CC(C)(C#N)CCCN1CCC(N2CCCCC2=O)CC1 ZINC000120207125 376568452 /nfs/dbraw/zinc/56/84/52/376568452.db2.gz HBGVIYTYKFBJFX-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000264406320 190107626 /nfs/dbraw/zinc/10/76/26/190107626.db2.gz KNVVTZRHOKUPRD-CYBMUJFWSA-N 0 3 275.396 2.601 20 30 CFEDHN CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C)cc1 ZINC000120540254 376635976 /nfs/dbraw/zinc/63/59/76/376635976.db2.gz PRNMINFEHAXKBA-FUHWJXTLSA-N 0 3 299.418 2.844 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000120983841 376736582 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378051760 /nfs/dbraw/zinc/05/17/60/378051760.db2.gz KLKYWMLJDMSUAK-HOTGVXAUSA-N 0 3 261.340 2.737 20 30 CFEDHN Cc1ccnc(N[C@@H](C)CN2CCCCC2)c1C#N ZINC000135068409 378079440 /nfs/dbraw/zinc/07/94/40/378079440.db2.gz PKSSUTYVYZTBIV-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000135668939 378154694 /nfs/dbraw/zinc/15/46/94/378154694.db2.gz QJLYZBZULXOYFX-OAHLLOKOSA-N 0 3 297.427 2.984 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1cccs1 ZINC000135127529 378086968 /nfs/dbraw/zinc/08/69/68/378086968.db2.gz DJYJLSNTUAMKKP-ZDUSSCGKSA-N 0 3 275.377 2.605 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2(c3ccccc3)CC2)CC1 ZINC000264334007 383728008 /nfs/dbraw/zinc/72/80/08/383728008.db2.gz GGIVTAONHKQELG-UHFFFAOYSA-N 0 3 299.418 2.625 20 30 CFEDHN C#CCOc1ccccc1CN(C)C[C@H]1CCCOC1 ZINC000152067757 378389165 /nfs/dbraw/zinc/38/91/65/378389165.db2.gz MSEMCOOGMWOELH-OAHLLOKOSA-N 0 3 273.376 2.557 20 30 CFEDHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000328716924 378418015 /nfs/dbraw/zinc/41/80/15/378418015.db2.gz FAGIBLIGDKZSDU-KGLIPLIRSA-N 0 3 293.411 2.572 20 30 CFEDHN O=C(CNC(=O)CC1CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000328751512 378421309 /nfs/dbraw/zinc/42/13/09/378421309.db2.gz ROSAAAHSPFNSAR-CYBMUJFWSA-N 0 3 293.411 2.716 20 30 CFEDHN CC(C)[C@H](O)C1(CNC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000328777192 378424088 /nfs/dbraw/zinc/42/40/88/378424088.db2.gz STWDOZHIPBIKBZ-HNNXBMFYSA-N 0 3 294.439 2.614 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC1(O)CCCCC1 ZINC000328844731 378431869 /nfs/dbraw/zinc/43/18/69/378431869.db2.gz RGAMJBYSOIADJW-TZMCWYRMSA-N 0 3 280.412 2.511 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000679823639 542239142 /nfs/dbraw/zinc/23/91/42/542239142.db2.gz NYIXJUGWNZWQLA-DYVFJYSZSA-N 0 3 285.391 2.768 20 30 CFEDHN O=C(NCc1ncccc1[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329927625 378514129 /nfs/dbraw/zinc/51/41/29/378514129.db2.gz LSWYPKJTLQXBFS-AWEZNQCLSA-N 0 3 289.379 2.651 20 30 CFEDHN O=C(NCc1ncccc1[O-])[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329927625 378514131 /nfs/dbraw/zinc/51/41/31/378514131.db2.gz LSWYPKJTLQXBFS-AWEZNQCLSA-N 0 3 289.379 2.651 20 30 CFEDHN O=C(NC[C@H]1CCCCN1C1CC1)C1CCC(O)CC1 ZINC000329946017 378515445 /nfs/dbraw/zinc/51/54/45/378515445.db2.gz GCNVMCDXXLUZSX-HNFVBEJKSA-N 0 3 280.412 2.511 20 30 CFEDHN Cc1nccn1CCC[NH+]=C([O-])N1CCC[C@H](C)[C@@H]1C ZINC000330389894 378543678 /nfs/dbraw/zinc/54/36/78/378543678.db2.gz FOPNDEPJBIWRSF-STQMWFEESA-N 0 3 278.400 2.616 20 30 CFEDHN CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330445423 378557953 /nfs/dbraw/zinc/55/79/53/378557953.db2.gz UFWLNHLBJOSBGS-SQWLQELKSA-N 0 3 279.428 2.551 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000330458444 378561242 /nfs/dbraw/zinc/56/12/42/378561242.db2.gz POGRERBSUAILEA-CYBMUJFWSA-N 0 3 278.400 2.677 20 30 CFEDHN C[C@H](CNC(=O)Nc1nc2c(s1)C[C@H](C)CC2)N(C)C ZINC000330462958 378561966 /nfs/dbraw/zinc/56/19/66/378561966.db2.gz YXXBBICRAWTPNO-NXEZZACHSA-N 0 3 296.440 2.544 20 30 CFEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@H]1CC[C@@H](C#N)C1 ZINC000330460064 378562637 /nfs/dbraw/zinc/56/26/37/378562637.db2.gz QOPXBWCIVDKJKN-YPMHNXCESA-N 0 3 260.385 2.831 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCc2cccs2)CC1 ZINC000264355333 383729888 /nfs/dbraw/zinc/72/98/88/383729888.db2.gz DVTOXVFYSANRNV-UHFFFAOYSA-N 0 3 293.436 2.588 20 30 CFEDHN CC#CCCN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000155619439 378629426 /nfs/dbraw/zinc/62/94/26/378629426.db2.gz SJLZYSPAUZWHKL-UHFFFAOYSA-N 0 3 280.412 2.731 20 30 CFEDHN C#CCN(C[C@@H](O)c1cccc(F)c1)C1CCCC1 ZINC000155738871 378632019 /nfs/dbraw/zinc/63/20/19/378632019.db2.gz HHVXAEYMNYMGTR-MRXNPFEDSA-N 0 3 261.340 2.737 20 30 CFEDHN CC#CCCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000156003360 378635692 /nfs/dbraw/zinc/63/56/92/378635692.db2.gz PXAVDKASPMMVPA-QGZVFWFLSA-N 0 3 257.377 2.733 20 30 CFEDHN Cc1nc(C(=O)NCCN2CCCC(C)(C)C2)c(C)o1 ZINC000330582036 378588615 /nfs/dbraw/zinc/58/86/15/378588615.db2.gz JRQYEGXAAHAQDM-UHFFFAOYSA-N 0 3 279.384 2.718 20 30 CFEDHN CCN1CCC(NC(=O)N[C@H](C)c2csc(C)n2)CC1 ZINC000330656785 378594797 /nfs/dbraw/zinc/59/47/97/378594797.db2.gz VIGDFWGYXYAXIG-SNVBAGLBSA-N 0 3 296.440 2.500 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2cccc(C#N)c2)n1 ZINC000155396770 378625445 /nfs/dbraw/zinc/62/54/45/378625445.db2.gz JLTAZZIOEJHVPK-LBPRGKRZSA-N 0 3 282.328 2.569 20 30 CFEDHN C=CCNC(=O)CN1CCCC[C@H]1CCC(C)C ZINC000158154110 378664618 /nfs/dbraw/zinc/66/46/18/378664618.db2.gz FNYUJGQBTMQJMT-AWEZNQCLSA-N 0 3 252.402 2.579 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331291934 378665552 /nfs/dbraw/zinc/66/55/52/378665552.db2.gz PSGOHKFKPUUPJX-XEZPLFJOSA-N 0 3 288.391 2.548 20 30 CFEDHN C=C(C)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000156848887 378646514 /nfs/dbraw/zinc/64/65/14/378646514.db2.gz ZXAPUYKSXJWUCW-INIZCTEOSA-N 0 3 287.407 2.699 20 30 CFEDHN CC(C)Oc1cccnc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000331205576 378648970 /nfs/dbraw/zinc/64/89/70/378648970.db2.gz ZDKHGEJVBLKBGP-QWHCGFSZSA-N 0 3 291.395 2.656 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000157117953 378650944 /nfs/dbraw/zinc/65/09/44/378650944.db2.gz JFVSBZUWTZTPBA-UKRRQHHQSA-N 0 3 260.381 2.747 20 30 CFEDHN C[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C[C@H](C)C1 ZINC000332057305 378722039 /nfs/dbraw/zinc/72/20/39/378722039.db2.gz ZRXOLRDMPZQPLE-LSDHHAIUSA-N 0 3 299.418 2.542 20 30 CFEDHN CC[C@H](C)[C@@H](C)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332407221 378758988 /nfs/dbraw/zinc/75/89/88/378758988.db2.gz MFMILOGSBNCSNZ-DMDPSCGWSA-N 0 3 291.420 2.749 20 30 CFEDHN C[C@@H]1C[C@@H](NC2CCC(C)(C#N)CC2)c2nccn21 ZINC000333552375 378828444 /nfs/dbraw/zinc/82/84/44/378828444.db2.gz MUCXWDBIDHWEHI-KLNSDEMFSA-N 0 3 258.369 2.951 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000333557702 378830293 /nfs/dbraw/zinc/83/02/93/378830293.db2.gz KLSZLQSTFIVXMG-XBFCOCLRSA-N 0 3 273.384 2.708 20 30 CFEDHN CC1(C)CC(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000333451095 378823356 /nfs/dbraw/zinc/82/33/56/378823356.db2.gz NRQYJMCVZIYHMW-INIZCTEOSA-N 0 3 297.402 2.832 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1nc(C)ccc1C#N ZINC000161392151 378842379 /nfs/dbraw/zinc/84/23/79/378842379.db2.gz IWYSHNTUUSTWFA-CQSZACIVSA-N 0 3 258.369 2.548 20 30 CFEDHN C[C@@H]1[C@H](C)N(CC#Cc2ccccc2Cl)CCN1C ZINC000334175792 378901234 /nfs/dbraw/zinc/90/12/34/378901234.db2.gz BZLZMHCMIDWGKB-KGLIPLIRSA-N 0 3 276.811 2.716 20 30 CFEDHN C#CCSCCNCc1cnc(CC(C)C)s1 ZINC000162659036 378924606 /nfs/dbraw/zinc/92/46/06/378924606.db2.gz ONBDBMMDDKTTGS-UHFFFAOYSA-N 0 3 268.451 2.798 20 30 CFEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000162791547 378934999 /nfs/dbraw/zinc/93/49/99/378934999.db2.gz JDWLBHJTBYYDHQ-GXTWGEPZSA-N 0 3 263.768 2.706 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000334224702 378948479 /nfs/dbraw/zinc/94/84/79/378948479.db2.gz AOVZTDMCEPNTSY-JOYOIKCWSA-N 0 3 278.739 2.830 20 30 CFEDHN C[C@H]1CCCN(CCNc2nc(Cl)c(C#N)s2)C1 ZINC000278700145 194111278 /nfs/dbraw/zinc/11/12/78/194111278.db2.gz MWRYCQFCDZNJKG-VIFPVBQESA-N 0 3 284.816 2.812 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000334345325 379129467 /nfs/dbraw/zinc/12/94/67/379129467.db2.gz OPHXVMUARRYLKF-JKSUJKDBSA-N 0 3 274.339 2.841 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000335337878 379116948 /nfs/dbraw/zinc/11/69/48/379116948.db2.gz FQCITATZOBXMDR-RCOVLWMOSA-N 0 3 285.130 2.703 20 30 CFEDHN C=CCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278769295 194146354 /nfs/dbraw/zinc/14/63/54/194146354.db2.gz UKSBATKPEAQNII-SNVBAGLBSA-N 0 3 274.324 2.915 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000636172336 383735561 /nfs/dbraw/zinc/73/55/61/383735561.db2.gz XARUDCUMWLVIDB-GOEBONIOSA-N 0 3 276.424 2.818 20 30 CFEDHN COC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000278862366 194187936 /nfs/dbraw/zinc/18/79/36/194187936.db2.gz RENZYZCVCPMLDM-XFBWCDHKSA-N 0 3 292.354 2.542 20 30 CFEDHN C[C@H]1[C@H](C)N(CC#Cc2cccc(Cl)c2)CCN1C ZINC000334451995 379323504 /nfs/dbraw/zinc/32/35/04/379323504.db2.gz XFHQGWIGRMLRSS-KBPBESRZSA-N 0 3 276.811 2.716 20 30 CFEDHN CCCN(Cc1ccc(C#N)cn1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000571891952 383736330 /nfs/dbraw/zinc/73/63/30/383736330.db2.gz OQNJYWNZNBBYAA-BRWVUGGUSA-N 0 3 299.418 2.979 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)c(C)s2)CC1 ZINC000171720258 379385491 /nfs/dbraw/zinc/38/54/91/379385491.db2.gz MIMUQNSGEDDRGB-UHFFFAOYSA-N 0 3 278.421 2.745 20 30 CFEDHN CC[C@@H](C)CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000171952202 379449388 /nfs/dbraw/zinc/44/93/88/379449388.db2.gz VAXJSHXEMDQRPG-CZUORRHYSA-N 0 3 285.391 2.641 20 30 CFEDHN Cc1cnc(CCN2CCC(C)(C#N)CC2)c(C)c1 ZINC000335622787 379615775 /nfs/dbraw/zinc/61/57/75/379615775.db2.gz QDZZMPXVRJVAKB-UHFFFAOYSA-N 0 3 257.381 2.867 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)cc1 ZINC000334637763 379679135 /nfs/dbraw/zinc/67/91/35/379679135.db2.gz XHJJTKOXZWHGED-QGZVFWFLSA-N 0 3 297.402 2.535 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)ccc1F ZINC000335686540 379721055 /nfs/dbraw/zinc/72/10/55/379721055.db2.gz XTQVDPYFLINHGX-LSDHHAIUSA-N 0 3 288.366 2.946 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C[C@@H](C)CC)CC1 ZINC000173198219 379709675 /nfs/dbraw/zinc/70/96/75/379709675.db2.gz SXLQOPSYAUHISC-KBPBESRZSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000173197981 379710502 /nfs/dbraw/zinc/71/05/02/379710502.db2.gz HCNRNDADKVVPON-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000334735776 379848572 /nfs/dbraw/zinc/84/85/72/379848572.db2.gz PEEONFZECMXVQF-SMDDNHRTSA-N 0 3 282.347 2.776 20 30 CFEDHN COc1ccc(O[C@H](C)CNCc2ccc(C#N)o2)cc1 ZINC000174604749 379917590 /nfs/dbraw/zinc/91/75/90/379917590.db2.gz RYNLBPFJTFMHKJ-GFCCVEGCSA-N 0 3 286.331 2.717 20 30 CFEDHN C#CCSCCNCc1ccc(OCC(F)F)cc1 ZINC000174421271 379883052 /nfs/dbraw/zinc/88/30/52/379883052.db2.gz OCLZSUQYTPBXOS-UHFFFAOYSA-N 0 3 285.359 2.787 20 30 CFEDHN C[C@@](CO)(NCc1ccc(C#N)o1)C1CCCCC1 ZINC000174420445 379883916 /nfs/dbraw/zinc/88/39/16/379883916.db2.gz RKCQEJUATBDCGD-HNNXBMFYSA-N 0 3 262.353 2.572 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000335785795 379885127 /nfs/dbraw/zinc/88/51/27/379885127.db2.gz IRERSZDIPFPUDX-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN CC1CCC(O)(CN(C)Cc2cccc(C#N)c2)CC1 ZINC000174724618 379933012 /nfs/dbraw/zinc/93/30/12/379933012.db2.gz BDLXCHMLPAMCIZ-UHFFFAOYSA-N 0 3 272.392 2.931 20 30 CFEDHN C[C@H]1CSC[C@@H]1NCc1cccc(C#N)c1F ZINC000335824012 379949874 /nfs/dbraw/zinc/94/98/74/379949874.db2.gz KOQKFKQCEWWJEW-CABZTGNLSA-N 0 3 250.342 2.538 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000335015173 379956101 /nfs/dbraw/zinc/95/61/01/379956101.db2.gz VSBWEHMOGAXBPP-LRDDRELGSA-N 0 3 274.339 2.909 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](CO)c1ccccc1 ZINC000175048801 379985819 /nfs/dbraw/zinc/98/58/19/379985819.db2.gz MBASSXOHCLRFDJ-SFHVURJKSA-N 0 3 295.382 2.564 20 30 CFEDHN Cc1cnn([C@@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)c1 ZINC000335870268 380025668 /nfs/dbraw/zinc/02/56/68/380025668.db2.gz UPKNROGMXAFPPY-QGZVFWFLSA-N 0 3 280.375 2.819 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000335899488 380074584 /nfs/dbraw/zinc/07/45/84/380074584.db2.gz OROAGHYAWOPHCC-HZPDHXFCSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000175880861 380149337 /nfs/dbraw/zinc/14/93/37/380149337.db2.gz OKEOLXLJOQZONN-UHFFFAOYSA-N 0 3 298.430 2.776 20 30 CFEDHN N#CCCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175845002 380142110 /nfs/dbraw/zinc/14/21/10/380142110.db2.gz DISJJTQOPNOILT-CHWSQXEVSA-N 0 3 264.394 2.940 20 30 CFEDHN CC[S@@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000175866127 380145932 /nfs/dbraw/zinc/14/59/32/380145932.db2.gz OJQQPXIHYHGSQD-GEDNVKPRSA-N 0 3 296.461 2.789 20 30 CFEDHN Cc1ccc([C@@H]2CSCCN2C(=O)C(C)C#N)cc1 ZINC000336054628 380259406 /nfs/dbraw/zinc/25/94/06/380259406.db2.gz PLKLFGAEZKBQEQ-JSGCOSHPSA-N 0 3 274.389 2.771 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000335998049 380215614 /nfs/dbraw/zinc/21/56/14/380215614.db2.gz HWZIMSLQZFXKTO-LBPRGKRZSA-N 0 3 252.317 2.958 20 30 CFEDHN COc1cccc(C2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000335998412 380215738 /nfs/dbraw/zinc/21/57/38/380215738.db2.gz CFFDWNGMGBKEOE-GFCCVEGCSA-N 0 3 272.348 2.561 20 30 CFEDHN C[C@@H](N[C@H]1CCc2nc[nH]c2C1)c1ccc(C#N)cc1F ZINC000336002514 380221191 /nfs/dbraw/zinc/22/11/91/380221191.db2.gz IJMRVWRYEGXKIG-PWSUYJOCSA-N 0 3 284.338 2.629 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(F)c(Cl)c1 ZINC000336350305 380327456 /nfs/dbraw/zinc/32/74/56/380327456.db2.gz QLVMETNLIQJNID-MRVPVSSYSA-N 0 3 254.692 2.597 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)C(C)C#N)CC3 ZINC000336148711 380274486 /nfs/dbraw/zinc/27/44/86/380274486.db2.gz QPQWSHUPNDCAQF-VXGBXAGGSA-N 0 3 281.359 2.610 20 30 CFEDHN C[C@H]1COCCN(CCC2(C#N)CCCCC2)C1 ZINC000336278578 380305869 /nfs/dbraw/zinc/30/58/69/380305869.db2.gz RVDIOQLJXYIQKJ-CQSZACIVSA-N 0 3 250.386 2.819 20 30 CFEDHN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000452058280 383744772 /nfs/dbraw/zinc/74/47/72/383744772.db2.gz IADVHGVDBSAVLW-GFOFROLCSA-N 0 3 299.418 2.889 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cs1)N1CCC(C)CC1 ZINC000177692520 380369374 /nfs/dbraw/zinc/36/93/74/380369374.db2.gz FHPKPAKOHVZIHI-CYBMUJFWSA-N 0 3 277.437 2.830 20 30 CFEDHN N#CCCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000336394992 380337927 /nfs/dbraw/zinc/33/79/27/380337927.db2.gz UHKMHXDQRWTZHU-INIZCTEOSA-N 0 3 256.349 2.760 20 30 CFEDHN N#Cc1csc(CNCCCNc2ccccn2)c1 ZINC000177591055 380358669 /nfs/dbraw/zinc/35/86/69/380358669.db2.gz UZNHTRVEGMUCIT-UHFFFAOYSA-N 0 3 272.377 2.607 20 30 CFEDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000336577302 380493734 /nfs/dbraw/zinc/49/37/34/380493734.db2.gz KGGHQCPZTABUAZ-CQSZACIVSA-N 0 3 278.783 2.947 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C=C)CO)cc1Cl ZINC000289435225 197346939 /nfs/dbraw/zinc/34/69/39/197346939.db2.gz ADURQHURQJTRBW-LBPRGKRZSA-N 0 3 267.756 2.541 20 30 CFEDHN CC[C@H]1CN(C)CCN1CCC1(C#N)CCCCC1 ZINC000574751743 335044384 /nfs/dbraw/zinc/04/43/84/335044384.db2.gz KTAIAOLOFOPPSA-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN C[C@H]1CSCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000179664550 380568300 /nfs/dbraw/zinc/56/83/00/380568300.db2.gz MFEPDJZVMAWHJD-AWEZNQCLSA-N 0 3 289.448 2.974 20 30 CFEDHN N#Cc1cc2c(nc1N1CCCN(C3CC3)CC1)CCCC2 ZINC000179768495 380578258 /nfs/dbraw/zinc/57/82/58/380578258.db2.gz DVIFDSNJBDNMCL-UHFFFAOYSA-N 0 3 296.418 2.507 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C(C)C#N ZINC000529701385 383748581 /nfs/dbraw/zinc/74/85/81/383748581.db2.gz FXLPMPQPRJYLBF-DOTOQJQBSA-N 0 3 299.418 2.515 20 30 CFEDHN C=C(C)CN(C)CCc1nc(-c2ccccc2)no1 ZINC000181266536 380766842 /nfs/dbraw/zinc/76/68/42/380766842.db2.gz KXJCIDMIRYPHIM-UHFFFAOYSA-N 0 3 257.337 2.787 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000180916701 380711958 /nfs/dbraw/zinc/71/19/58/380711958.db2.gz LKJKEDXRDHPXGE-BFHYXJOUSA-N 0 3 279.428 2.656 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000181093898 380738032 /nfs/dbraw/zinc/73/80/32/380738032.db2.gz ZQIQZQJHQOXSLZ-CYBMUJFWSA-N 0 3 291.416 2.865 20 30 CFEDHN C#CCSCCN[C@H](C)c1cc(F)ccc1F ZINC000181098605 380738293 /nfs/dbraw/zinc/73/82/93/380738293.db2.gz LMDKOVMXDNTNJV-SNVBAGLBSA-N 0 3 255.333 2.982 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(OC)cc1OC ZINC000181094588 380738771 /nfs/dbraw/zinc/73/87/71/380738771.db2.gz NAIIMPFVANGQJP-GFCCVEGCSA-N 0 3 279.405 2.721 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)CCCn1ccnc1 ZINC000181113465 380742810 /nfs/dbraw/zinc/74/28/10/380742810.db2.gz RKKRSLILLKTGHH-UHFFFAOYSA-N 0 3 287.794 2.910 20 30 CFEDHN CC1(C)C[C@@H](O)CCN(Cc2ccc(C#N)cc2)C1 ZINC000295359603 380807634 /nfs/dbraw/zinc/80/76/34/380807634.db2.gz ZJOSNJZHSDJFRX-HNNXBMFYSA-N 0 3 258.365 2.541 20 30 CFEDHN C#CCOc1ccc(CNc2cc(CN(C)C)ccn2)cc1 ZINC000181526152 380817650 /nfs/dbraw/zinc/81/76/50/380817650.db2.gz RPISYUGBMBJYSJ-UHFFFAOYSA-N 0 3 295.386 2.767 20 30 CFEDHN C=CCC[C@@H](NCC1(N2CCOCC2)CC1)c1ccco1 ZINC000287464172 380837657 /nfs/dbraw/zinc/83/76/57/380837657.db2.gz MADMICFDXXEWTP-OAHLLOKOSA-N 0 3 290.407 2.741 20 30 CFEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000353822051 380879152 /nfs/dbraw/zinc/87/91/52/380879152.db2.gz UCJSGBKQABJUPV-YLQAJVPDSA-N 0 3 299.418 2.902 20 30 CFEDHN COC[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358557471 380925402 /nfs/dbraw/zinc/92/54/02/380925402.db2.gz BUJJSZSZYNZFOS-GHMZBOCLSA-N 0 3 250.317 2.630 20 30 CFEDHN CCN(CCN[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358558617 380925815 /nfs/dbraw/zinc/92/58/15/380925815.db2.gz CQMLWWQDFKNRBT-GFCCVEGCSA-N 0 3 275.371 2.832 20 30 CFEDHN C=C(CC)CN1CCC(C(=O)N(C)C(C)C)CC1 ZINC000358502287 380886600 /nfs/dbraw/zinc/88/66/00/380886600.db2.gz VHGVFCGYOSEDDH-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000279240563 194348102 /nfs/dbraw/zinc/34/81/02/194348102.db2.gz ZXDCAUHEXSBWCC-UHFFFAOYSA-N 0 3 280.324 2.668 20 30 CFEDHN Cc1cccc(CCNCc2ccc(C#N)c(F)c2)n1 ZINC000404142928 380898880 /nfs/dbraw/zinc/89/88/80/380898880.db2.gz IIKYMSLLRRPGFW-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000181796045 380899540 /nfs/dbraw/zinc/89/95/40/380899540.db2.gz YGTNLHDUHGFTLY-KBPBESRZSA-N 0 3 274.408 2.633 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000404252414 380903553 /nfs/dbraw/zinc/90/35/53/380903553.db2.gz LEPKMLBFHNGYPZ-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN COC(C)(C)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404821077 380905049 /nfs/dbraw/zinc/90/50/49/380905049.db2.gz DMVRHHVIICDJFA-SNVBAGLBSA-N 0 3 250.317 2.600 20 30 CFEDHN CC(C)C(=O)NCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358566231 380931382 /nfs/dbraw/zinc/93/13/82/380931382.db2.gz BEJFCEQCQUHCHP-LBPRGKRZSA-N 0 3 291.370 2.510 20 30 CFEDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000279249841 194351954 /nfs/dbraw/zinc/35/19/54/194351954.db2.gz LDLIVMUCZJJITD-HZMBPMFUSA-N 0 3 291.782 2.928 20 30 CFEDHN C[C@@H](NC[C@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000358551272 380917479 /nfs/dbraw/zinc/91/74/79/380917479.db2.gz AKKYFZRJLAQDAO-DGCLKSJQSA-N 0 3 262.328 2.775 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000408225236 380917718 /nfs/dbraw/zinc/91/77/18/380917718.db2.gz JCPGIGPQMWUBDL-OLZOCXBDSA-N 0 3 270.380 2.607 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC[C@@H](C)C1 ZINC000408341946 380921746 /nfs/dbraw/zinc/92/17/46/380921746.db2.gz UPJQQLJYYGWITJ-YCPHGPKFSA-N 0 3 279.428 2.551 20 30 CFEDHN C[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)[C@H](C)O1 ZINC000295619681 380979104 /nfs/dbraw/zinc/97/91/04/380979104.db2.gz DVUVLUPLVHIRRW-XUJVJEKNSA-N 0 3 256.349 2.703 20 30 CFEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccccc2C#N)C1 ZINC000368282509 380979684 /nfs/dbraw/zinc/97/96/84/380979684.db2.gz SSNPVQPPKDWLSP-INIZCTEOSA-N 0 3 289.354 2.709 20 30 CFEDHN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1cccc(C#N)c1 ZINC000182071556 380982407 /nfs/dbraw/zinc/98/24/07/380982407.db2.gz XCFHPODNSLBMGF-PBHICJAKSA-N 0 3 292.386 2.883 20 30 CFEDHN C[C@H](N[C@H]1CCN(c2ccccn2)C1)c1cccc(C#N)c1 ZINC000182071539 380982541 /nfs/dbraw/zinc/98/25/41/380982541.db2.gz XCFHPODNSLBMGF-YOEHRIQHSA-N 0 3 292.386 2.883 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)CCC#N ZINC000358679572 381009842 /nfs/dbraw/zinc/00/98/42/381009842.db2.gz GLRMCPSEWSVAEY-UHFFFAOYSA-N 0 3 296.459 2.546 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CCC)CCC ZINC000411165371 381013009 /nfs/dbraw/zinc/01/30/09/381013009.db2.gz JYCVLJSXKVSSJB-CQSZACIVSA-N 0 3 254.418 2.922 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cscc1C#N ZINC000347232096 381018432 /nfs/dbraw/zinc/01/84/32/381018432.db2.gz LFOGKDRNVPUZFM-LBPRGKRZSA-N 0 3 291.420 2.614 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H]1CCCCNC1=O ZINC000411254716 381021074 /nfs/dbraw/zinc/02/10/74/381021074.db2.gz GABUTCUBFHCPMW-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(-n2ccnn2)cc1 ZINC000411484552 381029483 /nfs/dbraw/zinc/02/94/83/381029483.db2.gz PAQJWLXMIXWCNE-QWHCGFSZSA-N 0 3 269.352 2.610 20 30 CFEDHN C=CCC[C@H](C)NCc1ccc(OC)nc1OC ZINC000289585287 381056278 /nfs/dbraw/zinc/05/62/78/381056278.db2.gz ASJRCVUDLGTNFL-NSHDSACASA-N 0 3 250.342 2.543 20 30 CFEDHN CC(C)n1cc(CNCCc2cccc(C#N)c2)cn1 ZINC000341472718 381032438 /nfs/dbraw/zinc/03/24/38/381032438.db2.gz DGEINYIDCPUOJN-UHFFFAOYSA-N 0 3 268.364 2.668 20 30 CFEDHN CC(C)Cn1cc(CNCCc2cccc(C#N)c2)cn1 ZINC000341476401 381036791 /nfs/dbraw/zinc/03/67/91/381036791.db2.gz GQENKLIJPGHPNN-UHFFFAOYSA-N 0 3 282.391 2.743 20 30 CFEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289652966 381085198 /nfs/dbraw/zinc/08/51/98/381085198.db2.gz YECHQRUTEBFHLL-MNOVXSKESA-N 0 3 264.756 2.668 20 30 CFEDHN COC1([C@@H](C)NCc2ccc(F)c(C#N)c2)CCC1 ZINC000412021641 381095466 /nfs/dbraw/zinc/09/54/66/381095466.db2.gz NCLRBQBTBMBILY-LLVKDONJSA-N 0 3 262.328 2.745 20 30 CFEDHN CCCCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182594213 381117376 /nfs/dbraw/zinc/11/73/76/381117376.db2.gz DLULIVSJGRIMPN-MRXNPFEDSA-N 0 3 285.391 2.786 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H](C)[C@@](C)(OC)C1CC1 ZINC000411971492 381075737 /nfs/dbraw/zinc/07/57/37/381075737.db2.gz ONVVPTQQBDXXPE-SJKOYZFVSA-N 0 3 288.391 2.860 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H](C)[C@@](C)(OC)C1CC1 ZINC000411975549 381078087 /nfs/dbraw/zinc/07/80/87/381078087.db2.gz VIDLJJWXMISHRH-SJKOYZFVSA-N 0 3 288.391 2.860 20 30 CFEDHN C#CCN(CCCn1ccnc1)[C@H]1CCc2ccccc21 ZINC000182699519 381141119 /nfs/dbraw/zinc/14/11/19/381141119.db2.gz CBHIQIBLJULIKL-SFHVURJKSA-N 0 3 279.387 2.896 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000295908191 381150517 /nfs/dbraw/zinc/15/05/17/381150517.db2.gz HHOZEACNFWOCPU-ZACQAIPSSA-N 0 3 267.372 2.585 20 30 CFEDHN C=CCCCCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000354264150 381171005 /nfs/dbraw/zinc/17/10/05/381171005.db2.gz IHWPXUFBEPVOOZ-HNNXBMFYSA-N 0 3 266.429 2.969 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000295955195 381180705 /nfs/dbraw/zinc/18/07/05/381180705.db2.gz JNYRBDOGJFOZQE-USXIJHARSA-N 0 3 298.386 2.614 20 30 CFEDHN Cc1nnc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000289862167 381192162 /nfs/dbraw/zinc/19/21/62/381192162.db2.gz RAJXHRCLGCLSAG-VIFPVBQESA-N 0 3 290.367 2.751 20 30 CFEDHN C#CCCN1CCCN(c2ccccc2Cl)CC1 ZINC000295980144 381197555 /nfs/dbraw/zinc/19/75/55/381197555.db2.gz OEPGUJXSTRAGQV-UHFFFAOYSA-N 0 3 262.784 2.875 20 30 CFEDHN Cc1nnc(CCN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000289902094 381209552 /nfs/dbraw/zinc/20/95/52/381209552.db2.gz TZVGQKKYVHNEDG-SNVBAGLBSA-N 0 3 272.377 2.612 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000289990154 381251111 /nfs/dbraw/zinc/25/11/11/381251111.db2.gz YKPMUVUGKAEEKS-CMPLNLGQSA-N 0 3 273.298 2.773 20 30 CFEDHN C#C[C@@H](NCc1c(CC)nn(C)c1CC)C(C)(C)C ZINC000289988361 381251775 /nfs/dbraw/zinc/25/17/75/381251775.db2.gz CBYYWAKTCXYQJO-OAHLLOKOSA-N 0 3 261.413 2.682 20 30 CFEDHN CC(=O)NCC[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000347629996 381263292 /nfs/dbraw/zinc/26/32/92/381263292.db2.gz ASOZWCHFMSONFG-RHSMWYFYSA-N 0 3 299.418 2.857 20 30 CFEDHN CO[C@H](C)[C@@H](C)NCc1cccc(OCCCC#N)c1 ZINC000342304927 381264300 /nfs/dbraw/zinc/26/43/00/381264300.db2.gz INQLXTBLPFUDBQ-ZIAGYGMSSA-N 0 3 276.380 2.882 20 30 CFEDHN C=CCn1cccc1C(=O)N(CCC)CCN1CCCC1 ZINC000342212128 381220510 /nfs/dbraw/zinc/22/05/10/381220510.db2.gz PKPFQWVMZSBULB-UHFFFAOYSA-N 0 3 289.423 2.622 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000289931405 381222634 /nfs/dbraw/zinc/22/26/34/381222634.db2.gz VNDXKMNJVQROLC-MFKMUULPSA-N 0 3 287.281 2.709 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C)[C@H](C)C1 ZINC000347578470 381233966 /nfs/dbraw/zinc/23/39/66/381233966.db2.gz HRJNKOCXFODFMH-ZNMIVQPWSA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccco1 ZINC000183286136 381249712 /nfs/dbraw/zinc/24/97/12/381249712.db2.gz WEANHTCHIXGTJB-GFCCVEGCSA-N 0 3 256.305 2.881 20 30 CFEDHN C[C@@H]1CSC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000342352678 381290370 /nfs/dbraw/zinc/29/03/70/381290370.db2.gz YOCNQZACZJEDPY-BPLDGKMQSA-N 0 3 288.416 2.627 20 30 CFEDHN C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000296185231 381291007 /nfs/dbraw/zinc/29/10/07/381291007.db2.gz GYHSQICBNXFBKD-ZDUSSCGKSA-N 0 3 298.390 2.506 20 30 CFEDHN Cc1cnn([C@H]2CCN(Cc3ccc(C#N)cc3)C2)c1 ZINC000290081081 381291417 /nfs/dbraw/zinc/29/14/17/381291417.db2.gz YYRYJSAOBVECCG-INIZCTEOSA-N 0 3 266.348 2.510 20 30 CFEDHN CCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354469473 381291656 /nfs/dbraw/zinc/29/16/56/381291656.db2.gz PRCPAFMQKNWYFU-ZDUSSCGKSA-N 0 3 251.289 2.529 20 30 CFEDHN COC[C@H](NCCCCC#N)c1ccc(F)cc1 ZINC000342321066 381276830 /nfs/dbraw/zinc/27/68/30/381276830.db2.gz GQOMWYVYIMCOIU-AWEZNQCLSA-N 0 3 250.317 2.797 20 30 CFEDHN CCCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354458580 381284725 /nfs/dbraw/zinc/28/47/25/381284725.db2.gz BXDZAKMCAMXWCX-CQSZACIVSA-N 0 3 265.316 2.919 20 30 CFEDHN CC#CCN[C@H]1c2ccccc2CC12CCOCC2 ZINC000290193427 381337595 /nfs/dbraw/zinc/33/75/95/381337595.db2.gz SJMHVQLOZRKKDS-INIZCTEOSA-N 0 3 255.361 2.694 20 30 CFEDHN Cc1cnc(C(C)(C)NCCCSCC#N)s1 ZINC000183919424 381339423 /nfs/dbraw/zinc/33/94/23/381339423.db2.gz MNICHAGKYDVPAO-UHFFFAOYSA-N 0 3 269.439 2.923 20 30 CFEDHN C=CCCN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000342384023 381307698 /nfs/dbraw/zinc/30/76/98/381307698.db2.gz MYDRZPIFZLGGKU-UHFFFAOYSA-N 0 3 289.423 2.726 20 30 CFEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)c1C ZINC000183709413 381309221 /nfs/dbraw/zinc/30/92/21/381309221.db2.gz RQSIGUDVRZZOJD-KDOFPFPSSA-N 0 3 299.418 2.763 20 30 CFEDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(C)C#N)cc1 ZINC000347729526 381319671 /nfs/dbraw/zinc/31/96/71/381319671.db2.gz HSGXZEPQAYNEEK-IMJJTQAJSA-N 0 3 286.375 2.739 20 30 CFEDHN CC(C)(CO)C(C)(C)NCc1cc(C#N)cs1 ZINC000347820542 381364161 /nfs/dbraw/zinc/36/41/61/381364161.db2.gz VRZPQQSOFLAIFC-UHFFFAOYSA-N 0 3 252.383 2.506 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2cccc(C#N)c2)C1 ZINC000288899779 197189156 /nfs/dbraw/zinc/18/91/56/197189156.db2.gz SNLXSHMYCGGPRH-INIZCTEOSA-N 0 3 258.365 2.543 20 30 CFEDHN C[C@@H](N[C@@H]1CCOC1(C)C)c1ccc(C#N)c(F)c1 ZINC000296436964 381396367 /nfs/dbraw/zinc/39/63/67/381396367.db2.gz MCLFFYDPZNFKLI-QMTHXVAHSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCN(Cc1cc(OC)c(O)c(OC)c1)C1CC1 ZINC000290418921 381421949 /nfs/dbraw/zinc/42/19/49/381421949.db2.gz QSXGZQXZTUFYNH-UHFFFAOYSA-N 0 3 263.337 2.560 20 30 CFEDHN CC(C)(C)[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000290450256 381432964 /nfs/dbraw/zinc/43/29/64/381432964.db2.gz VYLMXODPLPBWQY-INIZCTEOSA-N 0 3 272.392 2.930 20 30 CFEDHN C[C@@H](O)CCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000354742201 381433445 /nfs/dbraw/zinc/43/34/45/381433445.db2.gz YDZAWYQYTVNTQF-CQSZACIVSA-N 0 3 270.376 2.808 20 30 CFEDHN CC1(CN2CC=C(c3ccc(C#N)cc3)CC2)COC1 ZINC000347996237 381449975 /nfs/dbraw/zinc/44/99/75/381449975.db2.gz SFSSPRDRWMPXJZ-UHFFFAOYSA-N 0 3 268.360 2.684 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348285016 381478054 /nfs/dbraw/zinc/47/80/54/381478054.db2.gz PZFXFJQIGHLSOT-DCAQKATOSA-N 0 3 251.292 2.586 20 30 CFEDHN C=CCOCCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000348039098 381454074 /nfs/dbraw/zinc/45/40/74/381454074.db2.gz ULPVRUDWXJQAQZ-QGZVFWFLSA-N 0 3 273.376 2.711 20 30 CFEDHN C=CCOCCCN(C)C[C@H]1OCCc2ccccc21 ZINC000348050356 381456122 /nfs/dbraw/zinc/45/61/22/381456122.db2.gz MIXCMDFNWJYTPK-QGZVFWFLSA-N 0 3 275.392 2.825 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccsc2)cc1 ZINC000348133649 381463894 /nfs/dbraw/zinc/46/38/94/381463894.db2.gz XEOKXZIFMWIEOJ-OAHLLOKOSA-N 0 3 295.367 2.618 20 30 CFEDHN C=CCCN(C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000342727581 381504688 /nfs/dbraw/zinc/50/46/88/381504688.db2.gz VGGGPKFESCDECG-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(Cl)cn1 ZINC000359627480 381518840 /nfs/dbraw/zinc/51/88/40/381518840.db2.gz CRGQDUWNTIHAHZ-MNOVXSKESA-N 0 3 254.761 2.570 20 30 CFEDHN C=CCCN(C)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000342760076 381521195 /nfs/dbraw/zinc/52/11/95/381521195.db2.gz DCBUSVYHSKUNOW-UHFFFAOYSA-N 0 3 280.334 2.541 20 30 CFEDHN Cc1cc(N2CCN(C3CCCCC3)CC2)cc(C#N)n1 ZINC000342709068 381493249 /nfs/dbraw/zinc/49/32/49/381493249.db2.gz WRADYPIGSABXEL-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000342713115 381493968 /nfs/dbraw/zinc/49/39/68/381493968.db2.gz ROXGFHSFBGUPKK-LLVKDONJSA-N 0 3 284.787 2.987 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000342716264 381495101 /nfs/dbraw/zinc/49/51/01/381495101.db2.gz BWSFWXLNJWTKIG-LBPRGKRZSA-N 0 3 296.361 2.992 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000342718009 381495294 /nfs/dbraw/zinc/49/52/94/381495294.db2.gz GZCBQGXSDYPDPJ-ISXOHVOVSA-N 0 3 291.439 2.814 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000348311005 381497036 /nfs/dbraw/zinc/49/70/36/381497036.db2.gz YJURRQXMBNFRLF-CVEARBPZSA-N 0 3 286.419 2.783 20 30 CFEDHN C=CCCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290622296 381502013 /nfs/dbraw/zinc/50/20/13/381502013.db2.gz XIMOTEQYSNADKQ-LSDHHAIUSA-N 0 3 287.359 2.763 20 30 CFEDHN CN(CCN(C)C1CC1)c1cc(C(F)(F)F)cnc1C#N ZINC000413225316 381537089 /nfs/dbraw/zinc/53/70/89/381537089.db2.gz GLNDVILPZNZAHH-UHFFFAOYSA-N 0 3 298.312 2.502 20 30 CFEDHN COC(=O)CC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342766436 381524837 /nfs/dbraw/zinc/52/48/37/381524837.db2.gz UUSOZNZJSRKKKU-UHFFFAOYSA-N 0 3 286.375 2.528 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)c1cccs1 ZINC000348358090 381529644 /nfs/dbraw/zinc/52/96/44/381529644.db2.gz JFCLJUVIGYBAEO-GFCCVEGCSA-N 0 3 293.436 2.581 20 30 CFEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)c1cccs1 ZINC000348358950 381530522 /nfs/dbraw/zinc/53/05/22/381530522.db2.gz MIAKSSWYWHWJLT-UHFFFAOYSA-N 0 3 280.437 2.997 20 30 CFEDHN C#CCC(C)(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000185087999 381531995 /nfs/dbraw/zinc/53/19/95/381531995.db2.gz YCOWCNAARWDYKV-UHFFFAOYSA-N 0 3 298.430 2.817 20 30 CFEDHN CN1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000297843707 381573739 /nfs/dbraw/zinc/57/37/39/381573739.db2.gz KSJCGSIJDGTJEK-UHFFFAOYSA-N 0 3 296.336 2.694 20 30 CFEDHN CCS[C@@H]1CCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000348466523 381580225 /nfs/dbraw/zinc/58/02/25/381580225.db2.gz GJBJZIMKLVVSEA-FRRDWIJNSA-N 0 3 251.399 2.694 20 30 CFEDHN CC[C@@H](CC(F)(F)F)NCc1cc(C#N)n(C)c1 ZINC000359707010 381571230 /nfs/dbraw/zinc/57/12/30/381571230.db2.gz PNRARCOIXBPXHU-JTQLQIEISA-N 0 3 259.275 2.717 20 30 CFEDHN C[C@H](NCCC1(O)CCC1)c1ccc(C#N)cc1F ZINC000342826393 381572018 /nfs/dbraw/zinc/57/20/18/381572018.db2.gz NJJGFACKJVBHDU-NSHDSACASA-N 0 3 262.328 2.653 20 30 CFEDHN COc1ccc(CN2CC[C@@H]3CCC[C@H]32)cc1C#N ZINC000355096511 381607800 /nfs/dbraw/zinc/60/78/00/381607800.db2.gz CKKGTGLIYKTXLB-DZGCQCFKSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000342890252 381601979 /nfs/dbraw/zinc/60/19/79/381601979.db2.gz WIGGEFSENNPEOD-CVEARBPZSA-N 0 3 296.455 2.691 20 30 CFEDHN N#Cc1cc(CN[C@H]2CCC[C@@H]2OC(F)F)ccc1F ZINC000348522404 381605973 /nfs/dbraw/zinc/60/59/73/381605973.db2.gz XERZNEJJJURSDY-STQMWFEESA-N 0 3 284.281 2.947 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000348546720 381626486 /nfs/dbraw/zinc/62/64/86/381626486.db2.gz NHBMIZKLVIVJNM-RYUDHWBXSA-N 0 3 292.345 2.809 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)c1sccc1C#N ZINC000185420144 381627408 /nfs/dbraw/zinc/62/74/08/381627408.db2.gz JPGPPWNRCSXMQS-GFCCVEGCSA-N 0 3 291.420 2.614 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000185488126 381647815 /nfs/dbraw/zinc/64/78/15/381647815.db2.gz OTRLLCYNKAFRBC-CQSZACIVSA-N 0 3 264.413 2.745 20 30 CFEDHN C[C@@H](N[C@@H](C)C(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359892517 381662785 /nfs/dbraw/zinc/66/27/85/381662785.db2.gz HVBLOFOASFSLBK-OLZOCXBDSA-N 0 3 293.370 2.750 20 30 CFEDHN CC(C#N)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000343164692 381663937 /nfs/dbraw/zinc/66/39/37/381663937.db2.gz KJSDHOIPUGEAIV-MRVPVSSYSA-N 0 3 272.682 2.708 20 30 CFEDHN Cc1cc(CN[C@H]2CCO[C@@H]2c2cccnc2)ccc1C#N ZINC000343397417 381686884 /nfs/dbraw/zinc/68/68/84/381686884.db2.gz WLSPWRYRSQJOEC-ZWKOTPCHSA-N 0 3 293.370 2.882 20 30 CFEDHN Cc1cccc(CCNCc2cc(C#N)cs2)n1 ZINC000355229725 381691310 /nfs/dbraw/zinc/69/13/10/381691310.db2.gz XKPXYTOCKCXETA-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000343469506 381734072 /nfs/dbraw/zinc/73/40/72/381734072.db2.gz NKUDILFMFMSIPP-HBNTYKKESA-N 0 3 250.317 2.771 20 30 CFEDHN COc1cc(CN(C(C)C)[C@@H]2CCOC2)ccc1C#N ZINC000291324903 381747014 /nfs/dbraw/zinc/74/70/14/381747014.db2.gz TXFLSILWBFDKCR-OAHLLOKOSA-N 0 3 274.364 2.566 20 30 CFEDHN N#Cc1ccc([C@@H](NCCC2CCCCC2)C(N)=O)cc1 ZINC000360058288 381756862 /nfs/dbraw/zinc/75/68/62/381756862.db2.gz BGDZLGNXZLUYJC-MRXNPFEDSA-N 0 3 285.391 2.645 20 30 CFEDHN COc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1C#N ZINC000291248751 381723146 /nfs/dbraw/zinc/72/31/46/381723146.db2.gz LVAKGWACSCFJQM-HNNXBMFYSA-N 0 3 274.364 2.566 20 30 CFEDHN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)cc1F ZINC000355281959 381723449 /nfs/dbraw/zinc/72/34/49/381723449.db2.gz YBAGAEDGWBWZPG-MDZLAQPJSA-N 0 3 262.328 2.915 20 30 CFEDHN Cc1nc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)n[nH]1 ZINC000371954995 381725917 /nfs/dbraw/zinc/72/59/17/381725917.db2.gz VCYAWBWFOSRHGQ-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000371954995 381725922 /nfs/dbraw/zinc/72/59/22/381725922.db2.gz VCYAWBWFOSRHGQ-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)[nH]1 ZINC000371954995 381725927 /nfs/dbraw/zinc/72/59/27/381725927.db2.gz VCYAWBWFOSRHGQ-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN CC(C#N)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000360459317 381781349 /nfs/dbraw/zinc/78/13/49/381781349.db2.gz IHMADGZYGMCDHP-OPRDCNLKSA-N 0 3 262.275 2.631 20 30 CFEDHN Cc1nsc(N[C@H](C)CN2CCC[C@H](C)C2)c1C#N ZINC000360961822 381795944 /nfs/dbraw/zinc/79/59/44/381795944.db2.gz VGBCGVXEHSNFGO-WDEREUQCSA-N 0 3 278.425 2.856 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000360137925 381766280 /nfs/dbraw/zinc/76/62/80/381766280.db2.gz YINOAYJJUFAHKN-STQMWFEESA-N 0 3 256.349 2.973 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000360123086 381766639 /nfs/dbraw/zinc/76/66/39/381766639.db2.gz FYVIWZRJTAQQTR-QWHCGFSZSA-N 0 3 274.364 2.634 20 30 CFEDHN COc1ccc(CN2CCCO[C@H]3CCC[C@@H]32)cc1C#N ZINC000372170963 381767716 /nfs/dbraw/zinc/76/77/16/381767716.db2.gz WULZOWYWUCLWDT-RDJZCZTQSA-N 0 3 286.375 2.710 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1CC(C)C ZINC000355404972 381767842 /nfs/dbraw/zinc/76/78/42/381767842.db2.gz XHPGKQZTNBYUSB-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN C#CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000291812384 381772309 /nfs/dbraw/zinc/77/23/09/381772309.db2.gz ARSAFFCFYATKGV-QGZVFWFLSA-N 0 3 284.403 2.599 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000360256546 381773724 /nfs/dbraw/zinc/77/37/24/381773724.db2.gz LWJWAOJDKQBEEV-BPLDGKMQSA-N 0 3 286.375 2.851 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1CCC ZINC000343563150 381800035 /nfs/dbraw/zinc/80/00/35/381800035.db2.gz GGUGFJICWCIDLM-UKRRQHHQSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(C)c1nc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000361434120 381830655 /nfs/dbraw/zinc/83/06/55/381830655.db2.gz ACXWURPFAZHSIQ-TUAOUCFPSA-N 0 3 261.373 2.661 20 30 CFEDHN CC(C)CN1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000361479208 381835162 /nfs/dbraw/zinc/83/51/62/381835162.db2.gz RZOJZRNXERNUTC-UHFFFAOYSA-N 0 3 299.418 2.557 20 30 CFEDHN C[C@H](CN(C)C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356339753 381843023 /nfs/dbraw/zinc/84/30/23/381843023.db2.gz JHDKMSIWCHSAST-SNVBAGLBSA-N 0 3 285.313 2.617 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000361150935 381804948 /nfs/dbraw/zinc/80/49/48/381804948.db2.gz CPITXXDWEAOQCR-CABCVRRESA-N 0 3 274.408 2.776 20 30 CFEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1ccccc1Cl ZINC000361203681 381806775 /nfs/dbraw/zinc/80/67/75/381806775.db2.gz DDTHUTMTZLMVQH-QWRGUYRKSA-N 0 3 280.755 2.773 20 30 CFEDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@H]2C)c(Cl)cc1C#N ZINC000292495868 381807069 /nfs/dbraw/zinc/80/70/69/381807069.db2.gz FJUSLIQCTSENOY-YGRLFVJLSA-N 0 3 292.814 2.692 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186053355 381812865 /nfs/dbraw/zinc/81/28/65/381812865.db2.gz MRIPMMGLKAZBIX-KGLIPLIRSA-N 0 3 281.421 2.711 20 30 CFEDHN CC#CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000361280462 381818464 /nfs/dbraw/zinc/81/84/64/381818464.db2.gz CCTBGCPJQLYZAK-KRWDZBQOSA-N 0 3 299.418 2.536 20 30 CFEDHN C=CCOCCN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000292867211 381875149 /nfs/dbraw/zinc/87/51/49/381875149.db2.gz SCNKECWIKVCDPA-ZIAGYGMSSA-N 0 3 281.421 2.839 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000362037434 381881285 /nfs/dbraw/zinc/88/12/85/381881285.db2.gz IAOLOMYUYHNTLL-LPWJVIDDSA-N 0 3 254.761 2.568 20 30 CFEDHN CN(C)[C@@H](CC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000416194277 381882083 /nfs/dbraw/zinc/88/20/83/381882083.db2.gz 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COc1cc(CN[C@@H]2CCS[C@H]2C)ccc1C#N ZINC000310905660 382498681 /nfs/dbraw/zinc/49/86/81/382498681.db2.gz XAKDCOFQZXNFOS-GXFFZTMASA-N 0 3 262.378 2.550 20 30 CFEDHN C=CCOCCN1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420926828 382499369 /nfs/dbraw/zinc/49/93/69/382499369.db2.gz NSDWIIWTJRMHRD-ZIAGYGMSSA-N 0 3 283.412 2.631 20 30 CFEDHN C[C@@H]1C[C@H](CO)CN(CC#Cc2cccc(Cl)c2)C1 ZINC000420936833 382500674 /nfs/dbraw/zinc/50/06/74/382500674.db2.gz IYYZGWHIFDAWES-HIFRSBDPSA-N 0 3 277.795 2.642 20 30 CFEDHN C=CCOCCN1CCC[C@H](CC(F)(F)F)C1 ZINC000420943615 382500845 /nfs/dbraw/zinc/50/08/45/382500845.db2.gz IHBVDIWYUNMVKI-LLVKDONJSA-N 0 3 251.292 2.853 20 30 CFEDHN C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCCC#N)C1 ZINC000420995876 382503517 /nfs/dbraw/zinc/50/35/17/382503517.db2.gz AGAWPJWEPSLHOZ-QWHCGFSZSA-N 0 3 266.385 2.590 20 30 CFEDHN C#CCO[C@@H](C)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000294315767 382506780 /nfs/dbraw/zinc/50/67/80/382506780.db2.gz JSCOOWLAOFAOGS-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCCCC#N)[C@@H]2C1 ZINC000366426504 382509848 /nfs/dbraw/zinc/50/98/48/382509848.db2.gz ZEOIFDWSWQYMDP-UONOGXRCSA-N 0 3 293.411 2.621 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C#N)s2)cc1 ZINC000188966662 382513712 /nfs/dbraw/zinc/51/37/12/382513712.db2.gz AOXYNWNCFIFASQ-AWEZNQCLSA-N 0 3 286.400 2.621 20 30 CFEDHN CC[C@](C)(CNCc1ccc(C#N)cc1F)OC ZINC000322754331 382541198 /nfs/dbraw/zinc/54/11/98/382541198.db2.gz CTEVFWRGLDLKMZ-CQSZACIVSA-N 0 3 250.317 2.602 20 30 CFEDHN C=CCCCN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000366773483 382549293 /nfs/dbraw/zinc/54/92/93/382549293.db2.gz UVFJWNDLGRNKIC-ILXRZTDVSA-N 0 3 253.386 2.611 20 30 CFEDHN N#Cc1ccc(CN2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189133332 382551231 /nfs/dbraw/zinc/55/12/31/382551231.db2.gz LLVFUNINOCZAFR-QGZVFWFLSA-N 0 3 270.376 2.949 20 30 CFEDHN C=CCN(CC)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000367001026 382555008 /nfs/dbraw/zinc/55/50/08/382555008.db2.gz NGHLTHCBABBPFK-JKSUJKDBSA-N 0 3 287.407 2.649 20 30 CFEDHN CC1(C)CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000328619761 382556228 /nfs/dbraw/zinc/55/62/28/382556228.db2.gz WGWUIUAOJNVNBO-OLZOCXBDSA-N 0 3 290.411 2.670 20 30 CFEDHN CC1(C)CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)C1 ZINC000328619761 382556235 /nfs/dbraw/zinc/55/62/35/382556235.db2.gz WGWUIUAOJNVNBO-OLZOCXBDSA-N 0 3 290.411 2.670 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCCN1CCC ZINC000358308914 382560561 /nfs/dbraw/zinc/56/05/61/382560561.db2.gz HQWBJCASDXGFMQ-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN C#Cc1ccc(CN2CCC(C)(C(=O)OCC)CC2)cc1 ZINC000367321131 382564292 /nfs/dbraw/zinc/56/42/92/382564292.db2.gz DACYWZJADKOKEO-UHFFFAOYSA-N 0 3 285.387 2.833 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000346912927 382569662 /nfs/dbraw/zinc/56/96/62/382569662.db2.gz YAHPEMYWIISVNI-CYBMUJFWSA-N 0 3 252.402 2.578 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1cccc(F)c1F ZINC000295061525 382571775 /nfs/dbraw/zinc/57/17/75/382571775.db2.gz RHDDRQZIVPCROP-GFCCVEGCSA-N 0 3 266.335 2.571 20 30 CFEDHN CC(C)(C)[C@H]1OCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000189235226 382571889 /nfs/dbraw/zinc/57/18/89/382571889.db2.gz GBUWGTHHDFQFEO-RISCZKNCSA-N 0 3 262.353 2.692 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC(CF)CC1 ZINC000295227304 382593443 /nfs/dbraw/zinc/59/34/43/382593443.db2.gz YQFGWFZYNBLIJC-UHFFFAOYSA-N 0 3 292.354 2.627 20 30 CFEDHN C[C@@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000358384687 382596558 /nfs/dbraw/zinc/59/65/58/382596558.db2.gz MUWAJFGNQHROCW-CQSZACIVSA-N 0 3 277.412 2.594 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353664148 382599794 /nfs/dbraw/zinc/59/97/94/382599794.db2.gz OWGNUWOMLIRUEF-HLLBOEOZSA-N 0 3 298.386 2.867 20 30 CFEDHN Cc1nc(NC[C@@H]2CCCN(C)C2)c(Cl)cc1C#N ZINC000388300314 382604979 /nfs/dbraw/zinc/60/49/79/382604979.db2.gz DCTACDSLYKPVMW-NSHDSACASA-N 0 3 278.787 2.669 20 30 CFEDHN COc1cc(CN2CC[C@H](O)CC(C)(C)C2)ccc1C#N ZINC000295304632 382612623 /nfs/dbraw/zinc/61/26/23/382612623.db2.gz VKDDJISCSVRUMX-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CNC(=O)c1sccc1C#N)N1CCCC[C@H]1C ZINC000353622100 382583086 /nfs/dbraw/zinc/58/30/86/382583086.db2.gz YUPZAKLBEBTKQL-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN C[C@H](CNC(=O)c1sccc1C#N)N1CCCC[C@@H]1C ZINC000353622099 382583469 /nfs/dbraw/zinc/58/34/69/382583469.db2.gz YUPZAKLBEBTKQL-NWDGAFQWSA-N 0 3 291.420 2.612 20 30 CFEDHN C=CCSCCNCc1ccc(N(C)C(C)C)nc1 ZINC000190958166 382686631 /nfs/dbraw/zinc/68/66/31/382686631.db2.gz PTGPPTFXJRSIQS-UHFFFAOYSA-N 0 3 279.453 2.935 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000190981766 382687350 /nfs/dbraw/zinc/68/73/50/382687350.db2.gz ZEKHAFKYXCISLK-OFQRWUPVSA-N 0 3 266.429 2.825 20 30 CFEDHN CC[C@H]1CN(Cc2ccc(CC#N)cc2)CCCO1 ZINC000398973937 382636563 /nfs/dbraw/zinc/63/65/63/382636563.db2.gz APUNHFMJDBVPSR-INIZCTEOSA-N 0 3 258.365 2.754 20 30 CFEDHN Cc1ccncc1CNCc1ccc(CC#N)cc1 ZINC000398968907 382636647 /nfs/dbraw/zinc/63/66/47/382636647.db2.gz UJEXCLZTTAWTNW-UHFFFAOYSA-N 0 3 251.333 2.746 20 30 CFEDHN Cc1ccccc1O[C@H](C)CNCc1cc(C#N)n(C)c1 ZINC000191219770 382696097 /nfs/dbraw/zinc/69/60/97/382696097.db2.gz JUYXZRINOOKIHD-CQSZACIVSA-N 0 3 283.375 2.762 20 30 CFEDHN C=CCC1(C(=O)N(C)CC2CCN(C)CC2)CCC1 ZINC000191256140 382697149 /nfs/dbraw/zinc/69/71/49/382697149.db2.gz VTRRLFPHBJCXOB-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN CCCO[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191348443 382698848 /nfs/dbraw/zinc/69/88/48/382698848.db2.gz JTTMAOWNABCJKE-MRXNPFEDSA-N 0 3 275.396 2.678 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1ccnn1C)C(C)C ZINC000192656990 382711093 /nfs/dbraw/zinc/71/10/93/382711093.db2.gz HPEUVPXHZVKVLA-RDJZCZTQSA-N 0 3 290.455 2.769 20 30 CFEDHN CCCC(C#N)(CCC)NC(=O)C1CCN(C2CC2)CC1 ZINC000192694186 382711173 /nfs/dbraw/zinc/71/11/73/382711173.db2.gz QDYCDWGLKBPWBI-UHFFFAOYSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000192775018 382712131 /nfs/dbraw/zinc/71/21/31/382712131.db2.gz UUWULSDJORXSSH-HZMBPMFUSA-N 0 3 289.379 2.875 20 30 CFEDHN CSC1(CNCc2ccc(C#N)s2)CCC1 ZINC000193650601 382722034 /nfs/dbraw/zinc/72/20/34/382722034.db2.gz FSTXRSTVVWTMIJ-UHFFFAOYSA-N 0 3 252.408 2.995 20 30 CFEDHN CCN(CCN1CCCC1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000193758634 382724647 /nfs/dbraw/zinc/72/46/47/382724647.db2.gz FIGNOAMHBINUEF-CQSZACIVSA-N 0 3 285.391 2.564 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](CC)c2ccc(C)cc2)C1=O ZINC000337183624 382772894 /nfs/dbraw/zinc/77/28/94/382772894.db2.gz NVQFYNIDVXPPEB-HOTGVXAUSA-N 0 3 272.392 2.823 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H](Cc3ccccc3)C2)C1=O ZINC000337188044 382773180 /nfs/dbraw/zinc/77/31/80/382773180.db2.gz PZIZIOWDMQUAFW-ROUUACIJSA-N 0 3 298.430 2.728 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC2CCCCCC2)C1=O ZINC000337199672 382775356 /nfs/dbraw/zinc/77/53/56/382775356.db2.gz BAERYYRJSHKRAU-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@@H](C)Cc2ccccc2C)C1=O ZINC000337249430 382785640 /nfs/dbraw/zinc/78/56/40/382785640.db2.gz QAUSIXKWVQTYTH-RDJZCZTQSA-N 0 3 286.419 2.645 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)C1=O ZINC000337254151 382786684 /nfs/dbraw/zinc/78/66/84/382786684.db2.gz SIECSAWHMHEASI-JQHSSLGASA-N 0 3 298.430 2.960 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000337291773 382795494 /nfs/dbraw/zinc/79/54/94/382795494.db2.gz MTZHAJDTWZZOFO-STQMWFEESA-N 0 3 266.291 2.808 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337279796 382792641 /nfs/dbraw/zinc/79/26/41/382792641.db2.gz GUPMFBMUANIVLS-STQMWFEESA-N 0 3 266.291 2.808 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@H](C)N1CCCCCC1 ZINC000337055154 382756513 /nfs/dbraw/zinc/75/65/13/382756513.db2.gz AWMDRPLIFAOESI-KBPBESRZSA-N 0 3 252.402 2.722 20 30 CFEDHN O[C@@H]1CCC[C@@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000228486191 382847120 /nfs/dbraw/zinc/84/71/20/382847120.db2.gz JJNLNOPTCMETGD-FGTMMUONSA-N 0 3 269.388 2.664 20 30 CFEDHN C=CCC[C@@H](O)CN1CCc2cc(F)cc(C)c2C1 ZINC000337435902 382820564 /nfs/dbraw/zinc/82/05/64/382820564.db2.gz CIYKQJGVEGVXHX-OAHLLOKOSA-N 0 3 263.356 2.819 20 30 CFEDHN C=CCCOCCN[C@H](CC)c1ccc(F)cn1 ZINC000226652986 382830626 /nfs/dbraw/zinc/83/06/26/382830626.db2.gz IGJVJYAMTUULJE-CYBMUJFWSA-N 0 3 252.333 2.854 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337495941 382831977 /nfs/dbraw/zinc/83/19/77/382831977.db2.gz YIKAQNAMQYFTJO-NEPJUHHUSA-N 0 3 299.411 2.920 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)CCCC)CC1 ZINC000337498753 382832924 /nfs/dbraw/zinc/83/29/24/382832924.db2.gz UBOQSFJPOCVLRJ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CC1(C)CCN(C[C@@H](O)c2ccc(C#N)cc2)CCS1 ZINC000228088475 382844531 /nfs/dbraw/zinc/84/45/31/382844531.db2.gz UZDSSHCGJBZGSU-OAHLLOKOSA-N 0 3 290.432 2.809 20 30 CFEDHN CC1(C)C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000228084859 382844824 /nfs/dbraw/zinc/84/48/24/382844824.db2.gz KEACZDCRGBGBCC-ZDUSSCGKSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H]1CN(CCCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493908076 382906858 /nfs/dbraw/zinc/90/68/58/382906858.db2.gz MHQHMJABAIQJPY-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CCCOCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000229879804 382854101 /nfs/dbraw/zinc/85/41/01/382854101.db2.gz LHIVVOYRUSXZMU-CYBMUJFWSA-N 0 3 291.391 2.701 20 30 CFEDHN COc1cc(CN2CCC[C@](C)(OC)C2)ccc1C#N ZINC000230265318 382858239 /nfs/dbraw/zinc/85/82/39/382858239.db2.gz APBTUIGNSGFPQZ-INIZCTEOSA-N 0 3 274.364 2.568 20 30 CFEDHN COc1ccc(CNCCc2csc(C)n2)cc1C#N ZINC000230640342 382861561 /nfs/dbraw/zinc/86/15/61/382861561.db2.gz ZJVGZHDXORHFRG-UHFFFAOYSA-N 0 3 287.388 2.664 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000577818896 382871728 /nfs/dbraw/zinc/87/17/28/382871728.db2.gz WBRLTCIHXAJFRZ-YOEHRIQHSA-N 0 3 297.402 2.591 20 30 CFEDHN CCN(Cc1ccc(C#N)c(OC)c1)C[C@H]1CCCO1 ZINC000233515227 382871756 /nfs/dbraw/zinc/87/17/56/382871756.db2.gz OBAKJVUDHYVPFU-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN COc1cc(CNCc2ccc(F)cc2)ccc1C#N ZINC000234927349 382875776 /nfs/dbraw/zinc/87/57/76/382875776.db2.gz GCDLWHVSHROSHH-UHFFFAOYSA-N 0 3 270.307 2.996 20 30 CFEDHN COc1cc(CNCc2cccs2)ccc1C#N ZINC000234929851 382875852 /nfs/dbraw/zinc/87/58/52/382875852.db2.gz FMUJVNXVBNLSBU-UHFFFAOYSA-N 0 3 258.346 2.918 20 30 CFEDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1 ZINC000235156732 382877802 /nfs/dbraw/zinc/87/78/02/382877802.db2.gz QWOVHENTPJHTDL-LBPRGKRZSA-N 0 3 289.379 2.561 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000440803976 382884055 /nfs/dbraw/zinc/88/40/55/382884055.db2.gz BGAJIOZVVVYUMY-RKDXNWHRSA-N 0 3 286.253 2.922 20 30 CFEDHN C[C@H]1OCC[C@]1(C)NCC#Cc1ccccc1Cl ZINC000494236526 382911019 /nfs/dbraw/zinc/91/10/19/382911019.db2.gz DVOLWAGKBCDTSY-DOMZBBRYSA-N 0 3 263.768 2.849 20 30 CFEDHN C[C@H](NC[C@@H](C#N)CCC#N)[C@H](c1ccccc1)N(C)C ZINC000578065062 382887134 /nfs/dbraw/zinc/88/71/34/382887134.db2.gz CVBQZFNVIIRXAP-ZMSDIMECSA-N 0 3 284.407 2.711 20 30 CFEDHN C=CCN(C)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441053570 382893688 /nfs/dbraw/zinc/89/36/88/382893688.db2.gz WLMINDVVCBBFKC-UHFFFAOYSA-N 0 3 293.455 2.860 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000338012423 382901296 /nfs/dbraw/zinc/90/12/96/382901296.db2.gz QMWPWKJKYTYANR-MGPQQGTHSA-N 0 3 277.412 2.590 20 30 CFEDHN C=CCN1CCC(NC(=O)NCc2cscc2C)CC1 ZINC000494871281 382936641 /nfs/dbraw/zinc/93/66/41/382936641.db2.gz AYOXSBWIGXMMIV-UHFFFAOYSA-N 0 3 293.436 2.506 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000578642464 382939771 /nfs/dbraw/zinc/93/97/71/382939771.db2.gz IYPFHUNLMRGAAR-IXDOHACOSA-N 0 3 293.370 2.545 20 30 CFEDHN C=CCC[C@@H](C(=O)NCCN1CCCC1)c1ccccc1 ZINC000494922591 382942161 /nfs/dbraw/zinc/94/21/61/382942161.db2.gz ONOMCZZGSKEDHE-QGZVFWFLSA-N 0 3 286.419 2.948 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000442710271 382946791 /nfs/dbraw/zinc/94/67/91/382946791.db2.gz CDOSSJXSUJXBHE-GDBMZVCRSA-N 0 3 284.407 2.854 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cccc(Cn3ccnc3)c2)C1 ZINC000442714892 382947916 /nfs/dbraw/zinc/94/79/16/382947916.db2.gz MATJEJOZSTYPFD-WMLDXEAASA-N 0 3 280.375 2.713 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(Cn3ccnc3)cc2)C1 ZINC000442711531 382948607 /nfs/dbraw/zinc/94/86/07/382948607.db2.gz SAIFBSJIUOBOJS-DLBZAZTESA-N 0 3 280.375 2.713 20 30 CFEDHN C[C@H](C(=O)NCC1CCC(C#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000442984203 382964427 /nfs/dbraw/zinc/96/44/27/382964427.db2.gz RUTANAHZPMVXIH-QGBVMSHASA-N 0 3 291.439 2.694 20 30 CFEDHN OC[C@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000541051836 382964550 /nfs/dbraw/zinc/96/45/50/382964550.db2.gz PHENGZUWVHUQCW-KRWDZBQOSA-N 0 3 275.367 2.708 20 30 CFEDHN Cc1nc(NC(=O)C(C#N)c2nc(C)c(C)s2)oc1C ZINC000535775680 382954940 /nfs/dbraw/zinc/95/49/40/382954940.db2.gz VPEQQSCJBMCPBG-SNVBAGLBSA-N 0 3 290.348 2.611 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(-n2cncn2)c(F)c1 ZINC000536633700 382956630 /nfs/dbraw/zinc/95/66/30/382956630.db2.gz GNKBDSCPBYBWRX-UHFFFAOYSA-N 0 3 274.343 2.804 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000442790025 382957116 /nfs/dbraw/zinc/95/71/16/382957116.db2.gz FTHDNPAQAZWQHZ-FRRDWIJNSA-N 0 3 291.345 2.825 20 30 CFEDHN N#CC(C(=O)c1cccc2c1CCCC2)c1ccncn1 ZINC000578837685 382958529 /nfs/dbraw/zinc/95/85/29/382958529.db2.gz UFUWVRGUMNMEGK-HNNXBMFYSA-N 0 3 277.327 2.845 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000442851368 382961173 /nfs/dbraw/zinc/96/11/73/382961173.db2.gz QUNAMZXFQGLPNB-GXTWGEPZSA-N 0 3 282.347 2.561 20 30 CFEDHN CN(C)CCOc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442854732 382961516 /nfs/dbraw/zinc/96/15/16/382961516.db2.gz LHLKIQCQKGZUOF-DZGCQCFKSA-N 0 3 273.380 2.731 20 30 CFEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CCCC#N)C1 ZINC000494455767 382913548 /nfs/dbraw/zinc/91/35/48/382913548.db2.gz SODGFHVKFYAYCJ-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000494593004 382914763 /nfs/dbraw/zinc/91/47/63/382914763.db2.gz VJRFVLUMFVZIFY-SWLSCSKDSA-N 0 3 283.799 2.802 20 30 CFEDHN CN1CCN(Cc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442874412 382962497 /nfs/dbraw/zinc/96/24/97/382962497.db2.gz NBLXXDHDUQIXPC-QAPCUYQASA-N 0 3 298.434 2.538 20 30 CFEDHN CC#CCN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578403546 382917089 /nfs/dbraw/zinc/91/70/89/382917089.db2.gz JRTXLULGFZPRGM-HUUCEWRRSA-N 0 3 280.774 2.837 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc(C#N)ncn2)C1 ZINC000578402090 382917535 /nfs/dbraw/zinc/91/75/35/382917535.db2.gz VTYXKMIPFAETIQ-DZGCQCFKSA-N 0 3 293.374 2.596 20 30 CFEDHN COC[C@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC000578519211 382928547 /nfs/dbraw/zinc/92/85/47/382928547.db2.gz SDWLUSPPRLKWEX-SFHVURJKSA-N 0 3 295.386 2.643 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H](N)[C@@H](C)CC)c1 ZINC000236901530 382929390 /nfs/dbraw/zinc/92/93/90/382929390.db2.gz WTEHKNPJTJDHGS-SMDDNHRTSA-N 0 3 262.353 2.563 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@H](C)c1ccccc1 ZINC000540402441 382963328 /nfs/dbraw/zinc/96/33/28/382963328.db2.gz FDFYDFMBVPETFU-CPUCHLNUSA-N 0 3 287.407 2.780 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000578596682 382934508 /nfs/dbraw/zinc/93/45/08/382934508.db2.gz IJCNBJNOLSONIE-LPEHRKFASA-N 0 3 262.275 2.726 20 30 CFEDHN CCCOc1ccc(C[NH2+]CCCCC#N)c([O-])c1 ZINC000236946859 382935550 /nfs/dbraw/zinc/93/55/50/382935550.db2.gz MFINFDIHKMSQGH-UHFFFAOYSA-N 0 3 262.353 2.964 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000543748336 382972560 /nfs/dbraw/zinc/97/25/60/382972560.db2.gz GVAQVCKTCLWIRO-GOEBONIOSA-N 0 3 275.392 2.844 20 30 CFEDHN CCC[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578988259 382972815 /nfs/dbraw/zinc/97/28/15/382972815.db2.gz ISYFGPVGISQGNW-CYBMUJFWSA-N 0 3 283.379 2.613 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444407162 382973813 /nfs/dbraw/zinc/97/38/13/382973813.db2.gz CASQYUJXQOTHDI-UHIISALHSA-N 0 3 292.766 2.788 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCCCC1)C[C@H]1CC=CCC1 ZINC000544108687 382975087 /nfs/dbraw/zinc/97/50/87/382975087.db2.gz COOSXIYULQDKRP-HNNXBMFYSA-N 0 3 289.423 2.617 20 30 CFEDHN CC(C)(C)[C@H](CO)NCC#Cc1ccccc1Cl ZINC000444713562 382978278 /nfs/dbraw/zinc/97/82/78/382978278.db2.gz GSDOBOSHYABITF-AWEZNQCLSA-N 0 3 265.784 2.688 20 30 CFEDHN CN1CCN(CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000444687829 382978400 /nfs/dbraw/zinc/97/84/00/382978400.db2.gz HGERDTRABRRKAF-UHFFFAOYSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@]1(CCC)C(=O)OCC ZINC000444780109 382981399 /nfs/dbraw/zinc/98/13/99/382981399.db2.gz MMGARBOIMFNXQX-GOEBONIOSA-N 0 3 283.412 2.511 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)cc1Cl ZINC000338299053 382981973 /nfs/dbraw/zinc/98/19/73/382981973.db2.gz XSNYZLBUTOHPGH-MNOVXSKESA-N 0 3 294.782 2.889 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](F)C2)CC1 ZINC000579116226 382984184 /nfs/dbraw/zinc/98/41/84/382984184.db2.gz LRPWCISTYQBVSB-DZGCQCFKSA-N 0 3 297.418 2.607 20 30 CFEDHN C[C@@H](NCCC(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000338336729 382994050 /nfs/dbraw/zinc/99/40/50/382994050.db2.gz BWEYBPAIJDESEP-CYBMUJFWSA-N 0 3 285.391 2.658 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000245411789 382999389 /nfs/dbraw/zinc/99/93/89/382999389.db2.gz YMQNLMCTGBZAEA-NVXWUHKLSA-N 0 3 286.419 2.804 20 30 CFEDHN CCC[C@@]1(C)CCCN(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000245456251 383002061 /nfs/dbraw/zinc/00/20/61/383002061.db2.gz SYRQDJXTPDBJKL-WBVHZDCISA-N 0 3 293.455 2.897 20 30 CFEDHN CCNC(=O)OC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000495614740 383003327 /nfs/dbraw/zinc/00/33/27/383003327.db2.gz BKQFDWWBRXKRCO-CQSZACIVSA-N 0 3 295.427 2.917 20 30 CFEDHN CN1CCN(CCCSCC#N)CC12CCCCC2 ZINC000579370141 383010124 /nfs/dbraw/zinc/01/01/24/383010124.db2.gz YXFVGHAKZPRCMD-UHFFFAOYSA-N 0 3 281.469 2.584 20 30 CFEDHN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(CC#N)CC1 ZINC000541951194 382968171 /nfs/dbraw/zinc/96/81/71/382968171.db2.gz BEGHDZNFUDXFSV-SOUVJXGZSA-N 0 3 291.439 2.790 20 30 CFEDHN N#CCCCCNCc1cnc(C(F)(F)F)s1 ZINC000443980364 382970764 /nfs/dbraw/zinc/97/07/64/382970764.db2.gz QVFACYWJPOYWCH-UHFFFAOYSA-N 0 3 263.288 2.945 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1snc(C)c1C#N ZINC000579575557 383029886 /nfs/dbraw/zinc/02/98/86/383029886.db2.gz IGHWQWMUTXLJJP-GFCCVEGCSA-N 0 3 278.425 3.000 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447987836 383036905 /nfs/dbraw/zinc/03/69/05/383036905.db2.gz FGBSJVFQTNPCEY-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCN1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495935627 383044948 /nfs/dbraw/zinc/04/49/48/383044948.db2.gz ZQRXUOJVFVZMRG-CQSZACIVSA-N 0 3 298.427 2.568 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCCC[C@H]1O ZINC000245918296 383047889 /nfs/dbraw/zinc/04/78/89/383047889.db2.gz GQXSDWSECZJQJK-SMDDNHRTSA-N 0 3 264.394 2.603 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000245914352 383048211 /nfs/dbraw/zinc/04/82/11/383048211.db2.gz FCSJTRJDSWUBBX-HIFRSBDPSA-N 0 3 299.418 2.717 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000245975068 383055259 /nfs/dbraw/zinc/05/52/59/383055259.db2.gz BPEDFMHXJOEVOZ-QZTJIDSGSA-N 0 3 289.419 2.995 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000448360113 383057117 /nfs/dbraw/zinc/05/71/17/383057117.db2.gz AEXDHIQWXXGWHX-YPMHNXCESA-N 0 3 264.394 2.745 20 30 CFEDHN COCCN(Cc1ccc(C#N)s1)[C@H]1CCCSC1 ZINC000448359749 383057460 /nfs/dbraw/zinc/05/74/60/383057460.db2.gz OWWOXLCZRJORTQ-LBPRGKRZSA-N 0 3 296.461 2.964 20 30 CFEDHN COc1ccc(C#N)cc1CN(CCO)[C@H]1CC[C@@H](C)C1 ZINC000448511550 383061749 /nfs/dbraw/zinc/06/17/49/383061749.db2.gz UUXZSHPYJKROHX-CJNGLKHVSA-N 0 3 288.391 2.550 20 30 CFEDHN CCN(Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000579474259 383019625 /nfs/dbraw/zinc/01/96/25/383019625.db2.gz OHKKOBZXZCSCEY-UHFFFAOYSA-N 0 3 283.379 2.756 20 30 CFEDHN C=CCCCCCN1CC[C@H](OC(=O)N(C)C)C1 ZINC000496326739 383088575 /nfs/dbraw/zinc/08/85/75/383088575.db2.gz MSARFYAROQMMLB-ZDUSSCGKSA-N 0 3 254.374 2.505 20 30 CFEDHN C=C(C)[C@H](CC(=O)N(CC)C[C@H]1CCCN1CC)OCC ZINC000583583460 383090530 /nfs/dbraw/zinc/09/05/30/383090530.db2.gz JFNYZAFXKIZGRK-CVEARBPZSA-N 0 3 296.455 2.691 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)c1ccccc1 ZINC000448637578 383091537 /nfs/dbraw/zinc/09/15/37/383091537.db2.gz IPJADCKHIRFWTG-KYJSFNMBSA-N 0 3 299.418 2.735 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)CN1CCC(C)(C)C1 ZINC000583640587 383091887 /nfs/dbraw/zinc/09/18/87/383091887.db2.gz OTPBYWLZAAGIRO-UHFFFAOYSA-N 0 3 290.407 2.569 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000552999602 383095957 /nfs/dbraw/zinc/09/59/57/383095957.db2.gz OKJWTFNABJDYBJ-WMLDXEAASA-N 0 3 292.386 2.623 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000448700865 383096506 /nfs/dbraw/zinc/09/65/06/383096506.db2.gz YMMMBSUYMDNVOL-QWHCGFSZSA-N 0 3 252.402 2.578 20 30 CFEDHN Cc1cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc(C#N)n1 ZINC000553146246 383099310 /nfs/dbraw/zinc/09/93/10/383099310.db2.gz GTXRLDNOJOAUCJ-QZTJIDSGSA-N 0 3 292.386 2.541 20 30 CFEDHN N#Cc1ccc(OC2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000338964221 383102306 /nfs/dbraw/zinc/10/23/06/383102306.db2.gz OYPDVAINRWNBBC-KRWDZBQOSA-N 0 3 286.375 2.580 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000448843467 383103759 /nfs/dbraw/zinc/10/37/59/383103759.db2.gz JDDJIOVOEWDXCJ-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN CC1(C)Cc2cc(C(=O)C(C#N)c3ccncn3)ccc2O1 ZINC000584528833 383110454 /nfs/dbraw/zinc/11/04/54/383110454.db2.gz ACXNCDIICXKFKK-ZDUSSCGKSA-N 0 3 293.326 2.680 20 30 CFEDHN C[C@H](CCC#N)N1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496543689 383113816 /nfs/dbraw/zinc/11/38/16/383113816.db2.gz UUWDHMHJBAHABK-HZSPNIEDSA-N 0 3 295.427 2.914 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@](C)(CCC)C1 ZINC000247529792 383181914 /nfs/dbraw/zinc/18/19/14/383181914.db2.gz OCOUWHYWLMXMOP-HIFRSBDPSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCN2CC)CCCC1 ZINC000449179754 383182177 /nfs/dbraw/zinc/18/21/77/383182177.db2.gz WXWGOPOBEMTKJT-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2n[nH]cc2c1 ZINC000339195699 383183270 /nfs/dbraw/zinc/18/32/70/383183270.db2.gz ODZBHZLGCUCDOY-MJVIPROJSA-N 0 3 254.337 2.906 20 30 CFEDHN C=CCOCCN1CCCN(c2ccccc2F)CC1 ZINC000339194072 383183276 /nfs/dbraw/zinc/18/32/76/383183276.db2.gz AVJWQJGVTYTYOQ-UHFFFAOYSA-N 0 3 278.371 2.540 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000339206556 383183693 /nfs/dbraw/zinc/18/36/93/383183693.db2.gz VRDSOUJAIZHENG-DLBZAZTESA-N 0 3 283.375 2.699 20 30 CFEDHN CC1(C#N)CCC([NH2+][C@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000449238046 383185713 /nfs/dbraw/zinc/18/57/13/383185713.db2.gz PVEHKQURNUGPCA-CKDBGZEDSA-N 0 3 295.390 2.956 20 30 CFEDHN CC1(C#N)CCC(N[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000449238046 383185715 /nfs/dbraw/zinc/18/57/15/383185715.db2.gz PVEHKQURNUGPCA-CKDBGZEDSA-N 0 3 295.390 2.956 20 30 CFEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1c1cccn1C ZINC000247678578 383190340 /nfs/dbraw/zinc/19/03/40/383190340.db2.gz ZLEHPNWOZJVOST-GOEBONIOSA-N 0 3 262.397 2.879 20 30 CFEDHN C=CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247980060 383204973 /nfs/dbraw/zinc/20/49/73/383204973.db2.gz HITQVPIVKBQYPL-NVXWUHKLSA-N 0 3 272.392 2.904 20 30 CFEDHN C=CCN(CC=C)CCCN1CCN(c2ccccc2)CC1 ZINC000509263704 383147649 /nfs/dbraw/zinc/14/76/49/383147649.db2.gz NLQCXXHENMHEOM-UHFFFAOYSA-N 0 3 299.462 2.873 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000555338009 383148107 /nfs/dbraw/zinc/14/81/07/383148107.db2.gz WOJUKKMGULTRHD-KRWDZBQOSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccccc2)nc1 ZINC000562523658 383158655 /nfs/dbraw/zinc/15/86/55/383158655.db2.gz WSFUGFYYAOFOIW-MRXNPFEDSA-N 0 3 283.375 2.560 20 30 CFEDHN CC(C)C[C@@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247321283 383162698 /nfs/dbraw/zinc/16/26/98/383162698.db2.gz GBXSBXUPYVTSHE-CABCVRRESA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccccc1 ZINC000449075819 383163013 /nfs/dbraw/zinc/16/30/13/383163013.db2.gz SCEYLDGBMDQPEW-UKRRQHHQSA-N 0 3 260.381 2.938 20 30 CFEDHN C=CCC1(C(=O)N(CCOC)CCN(C)C)CCCCC1 ZINC000563183546 383165396 /nfs/dbraw/zinc/16/53/96/383165396.db2.gz PKAVSOPYVUAWLA-UHFFFAOYSA-N 0 3 296.455 2.550 20 30 CFEDHN CO[C@H](CN[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000449392480 383259757 /nfs/dbraw/zinc/25/97/57/383259757.db2.gz JCMRVYMXVMHLKN-PMPSAXMXSA-N 0 3 258.365 2.526 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248613193 383270951 /nfs/dbraw/zinc/27/09/51/383270951.db2.gz HHDUDUVSMNOYHF-CVEARBPZSA-N 0 3 284.403 2.598 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)CC(C)(C)CO ZINC000449416150 383277792 /nfs/dbraw/zinc/27/77/92/383277792.db2.gz RGAPOKZRPPTMLP-UHFFFAOYSA-N 0 3 290.407 2.819 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CC=C(C)CC1 ZINC000339660136 383277816 /nfs/dbraw/zinc/27/78/16/383277816.db2.gz SNEFYHFLVNVPSL-QGZVFWFLSA-N 0 3 287.403 2.807 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC1CC1)CC1CCC1 ZINC000567008753 383232834 /nfs/dbraw/zinc/23/28/34/383232834.db2.gz ZKLKLGBETUEGEN-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000519829089 383240629 /nfs/dbraw/zinc/24/06/29/383240629.db2.gz PORSDRFWRLUUGZ-UHOFOFEASA-N 0 3 290.382 2.681 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C[C@H]1C ZINC000449498410 383335631 /nfs/dbraw/zinc/33/56/31/383335631.db2.gz LHLKCTVEGXUQGI-CJNGLKHVSA-N 0 3 288.391 2.814 20 30 CFEDHN CCO[C@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000449504925 383341270 /nfs/dbraw/zinc/34/12/70/383341270.db2.gz YUGKYSJGROQWRC-FZMZJTMJSA-N 0 3 264.394 2.867 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000567617426 383294672 /nfs/dbraw/zinc/29/46/72/383294672.db2.gz JWGVKVCRSLJDJE-XHDPSFHLSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)[C@H](NCc1cccc(F)c1C#N)C1(CO)CCC1 ZINC000339725635 383297946 /nfs/dbraw/zinc/29/79/46/383297946.db2.gz HKGQMWXUIUOQRW-INIZCTEOSA-N 0 3 290.382 2.974 20 30 CFEDHN N#CCSCCCN1CCOC[C@@H]1CC1CCC1 ZINC000339778109 383315522 /nfs/dbraw/zinc/31/55/22/383315522.db2.gz OUOPFFUTUVGWHA-AWEZNQCLSA-N 0 3 268.426 2.524 20 30 CFEDHN OCC[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000426266281 383396869 /nfs/dbraw/zinc/39/68/69/383396869.db2.gz YDMZDYFHLUDRRY-HNNXBMFYSA-N 0 3 263.768 2.538 20 30 CFEDHN CN(C(=O)CN1CC[C@@H]2CCC[C@@H]21)C1(C#N)CCCCC1 ZINC000426472855 383401270 /nfs/dbraw/zinc/40/12/70/383401270.db2.gz VYRYLYRINPMJGC-GJZGRUSLSA-N 0 3 289.423 2.546 20 30 CFEDHN N#CCCN(C(=O)CN1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000426465800 383401696 /nfs/dbraw/zinc/40/16/96/383401696.db2.gz CFKRUQAFMFHRHR-RDJZCZTQSA-N 0 3 297.402 2.808 20 30 CFEDHN C=CCN(CCCC(=O)N(C)C)Cc1ccc(OC)cc1 ZINC000568465574 383404413 /nfs/dbraw/zinc/40/44/13/383404413.db2.gz FIQMXNRVNYYUAZ-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN CC[C@]1(C)CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568512289 383409993 /nfs/dbraw/zinc/40/99/93/383409993.db2.gz VCQDGSZMGLYBLD-MRXNPFEDSA-N 0 3 283.379 2.613 20 30 CFEDHN C[C@@H]1CCC[C@H](NCC(=O)Nc2sccc2C#N)[C@H]1C ZINC000249527904 383350055 /nfs/dbraw/zinc/35/00/55/383350055.db2.gz VLFJIQFWOUSJPC-MDZLAQPJSA-N 0 3 291.420 2.973 20 30 CFEDHN CC[C@@H](C)N[C@H](CNc1cc(C)ncc1C#N)c1ccco1 ZINC000425255899 383350874 /nfs/dbraw/zinc/35/08/74/383350874.db2.gz QNAYAQDZGFQJMT-MLGOLLRUSA-N 0 3 298.390 2.818 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000449516647 383351116 /nfs/dbraw/zinc/35/11/16/383351116.db2.gz BNMIWJPPLZLPGU-LYRGGWFBSA-N 0 3 274.364 2.639 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(SC)s1 ZINC000449518196 383351540 /nfs/dbraw/zinc/35/15/40/383351540.db2.gz IPXFXPOKWVGASN-MNOVXSKESA-N 0 3 255.408 2.903 20 30 CFEDHN CCN(CCCN(C)C)c1cc(C(C)=O)ccc1C#N ZINC000425257020 383352145 /nfs/dbraw/zinc/35/21/45/383352145.db2.gz PVIPHMNCCRGZQN-UHFFFAOYSA-N 0 3 273.380 2.539 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCCC)c(OC)c1 ZINC000449524153 383352493 /nfs/dbraw/zinc/35/24/93/383352493.db2.gz ZDSLUKCDAXSSLW-CABCVRRESA-N 0 3 291.391 2.917 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000449546217 383354370 /nfs/dbraw/zinc/35/43/70/383354370.db2.gz AZOBGMXMOKBURS-CABCVRRESA-N 0 3 260.312 2.521 20 30 CFEDHN C[C@@H](CNC[C@H](C#N)CCC#N)Cc1cccs1 ZINC000568078155 383356653 /nfs/dbraw/zinc/35/66/53/383356653.db2.gz HTWKYAOSVZWJJA-OLZOCXBDSA-N 0 3 261.394 2.960 20 30 CFEDHN CC1(C)COC[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000449626052 383358007 /nfs/dbraw/zinc/35/80/07/383358007.db2.gz UVJNKISGIATCKW-INIZCTEOSA-N 0 3 288.391 2.884 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@](C)(CC)C2)CC1 ZINC000468155799 383359164 /nfs/dbraw/zinc/35/91/64/383359164.db2.gz CEUPLXMZSNPCJO-KRWDZBQOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000449666670 383359937 /nfs/dbraw/zinc/35/99/37/383359937.db2.gz DZGHNFGLOFUQMZ-UHFFFAOYSA-N 0 3 256.349 2.997 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(C(F)(F)F)s1 ZINC000449694928 383360768 /nfs/dbraw/zinc/36/07/68/383360768.db2.gz CWNZBPNULSASTR-QMMMGPOBSA-N 0 3 280.315 2.579 20 30 CFEDHN C=CCC[C@@H](CO)NCc1c(C)nn(C(C)(C)C)c1C ZINC000449698513 383361746 /nfs/dbraw/zinc/36/17/46/383361746.db2.gz NWDQRGLVIKKKTB-AWEZNQCLSA-N 0 3 279.428 2.672 20 30 CFEDHN N#CCCCOc1cccc(CNC[C@H](O)C2CCC2)c1 ZINC000449738750 383363183 /nfs/dbraw/zinc/36/31/83/383363183.db2.gz FFWPQMLVXIVONB-KRWDZBQOSA-N 0 3 288.391 2.620 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCCN(CC)C2)CCCC1 ZINC000449818393 383365901 /nfs/dbraw/zinc/36/59/01/383365901.db2.gz DXVUKDCDMUADGI-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N1c2ccccc2C[C@H]1C ZINC000471881021 383379630 /nfs/dbraw/zinc/37/96/30/383379630.db2.gz RMSUGNFVSICLEC-ORIJERBGSA-N 0 3 297.402 2.635 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccccc2C#N)C1 ZINC000340205939 383381250 /nfs/dbraw/zinc/38/12/50/383381250.db2.gz ISKBJTUZQGYAIF-CZUORRHYSA-N 0 3 258.365 2.541 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425508334 383382227 /nfs/dbraw/zinc/38/22/27/383382227.db2.gz NIKIVDFLQCTPHX-CQSZACIVSA-N 0 3 275.400 2.635 20 30 CFEDHN C=CCNC(=O)CN1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425534972 383383637 /nfs/dbraw/zinc/38/36/37/383383637.db2.gz BZZQJWAQAQHEAR-HNNXBMFYSA-N 0 3 272.392 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)C[C@@H](C)C(C)(C)C)CC1 ZINC000634864388 383385961 /nfs/dbraw/zinc/38/59/61/383385961.db2.gz JFHMQELWJICYGG-CQSZACIVSA-N 0 3 295.471 2.960 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(F)cc1C ZINC000487970111 383483679 /nfs/dbraw/zinc/48/36/79/383483679.db2.gz JNWLLROAERQOTA-OAHLLOKOSA-N 0 3 251.345 2.893 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1[C@H](C)C[C@H]1C)C(C)C ZINC000526825426 383436775 /nfs/dbraw/zinc/43/67/75/383436775.db2.gz KVEXMOJVGGINAV-BZUAXINKSA-N 0 3 293.455 2.877 20 30 CFEDHN Cc1nc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1C#N ZINC000487768540 383481737 /nfs/dbraw/zinc/48/17/37/383481737.db2.gz JETDWBYWQKVXOF-KSSFIOAISA-N 0 3 294.402 2.787 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253094251 383444670 /nfs/dbraw/zinc/44/46/70/383444670.db2.gz NHYWRBQFIFHEIF-ZACQAIPSSA-N 0 3 270.376 2.684 20 30 CFEDHN C=CCCCCCN1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000487871547 383482413 /nfs/dbraw/zinc/48/24/13/383482413.db2.gz AKJHMVVLWNNCFG-OAHLLOKOSA-N 0 3 296.480 2.773 20 30 CFEDHN N#Cc1ccc(N2CCC[C@H](NCC3(F)CC3)C2)c(F)c1 ZINC000527227720 383464904 /nfs/dbraw/zinc/46/49/04/383464904.db2.gz UCYYCAYWBDBSNJ-ZDUSSCGKSA-N 0 3 291.345 2.758 20 30 CFEDHN Cc1ccccc1[C@H](NCC(=O)NC1(C#N)CCC1)C1CC1 ZINC000527377977 383469223 /nfs/dbraw/zinc/46/92/23/383469223.db2.gz RDKIXNQHXZBYJD-QGZVFWFLSA-N 0 3 297.402 2.598 20 30 CFEDHN CC(C)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CCN1C ZINC000487079764 383476958 /nfs/dbraw/zinc/47/69/58/383476958.db2.gz QTORIXJWSAJIFR-KRWDZBQOSA-N 0 3 298.434 2.608 20 30 CFEDHN Cc1c(C#N)c(N(C)CCN(C)C2CC2)nc2ccccc12 ZINC000450462350 383419974 /nfs/dbraw/zinc/41/99/74/383419974.db2.gz ZQGXPBWCSCTNSZ-UHFFFAOYSA-N 0 3 294.402 2.945 20 30 CFEDHN CCOC(=O)CCN(C)Cc1ccccc1C(C)(C)C#N ZINC000488042647 383491033 /nfs/dbraw/zinc/49/10/33/383491033.db2.gz OTNMHKJYQWRVJZ-UHFFFAOYSA-N 0 3 288.391 2.873 20 30 CFEDHN Cc1cccc(OCCN2CCC(CC#N)CC2)c1 ZINC000260447987 383504602 /nfs/dbraw/zinc/50/46/02/383504602.db2.gz IAUDLLHSDUGYGI-UHFFFAOYSA-N 0 3 258.365 3.000 20 30 CFEDHN N#Cc1ccnc(NC[C@H]2NCCc3ccccc32)c1Cl ZINC000261743240 383550625 /nfs/dbraw/zinc/55/06/25/383550625.db2.gz SHXLDOBUZBPSBL-CQSZACIVSA-N 0 3 298.777 2.906 20 30 CFEDHN Cc1cc(CN2CCOCC3(CCC3)C2)ccc1C#N ZINC000488260925 383509787 /nfs/dbraw/zinc/50/97/87/383509787.db2.gz IVIPGOVFXWFYLL-UHFFFAOYSA-N 0 3 270.376 2.869 20 30 CFEDHN C=CCCCCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000488278350 383512240 /nfs/dbraw/zinc/51/22/40/383512240.db2.gz ASEJPRFUADVKKB-UHFFFAOYSA-N 0 3 284.407 2.822 20 30 CFEDHN CC[C@H]1CN(CC)CCN1c1cccc(F)c1C#N ZINC000450835115 383514129 /nfs/dbraw/zinc/51/41/29/383514129.db2.gz WIHBBXHQHPXDFD-LBPRGKRZSA-N 0 3 261.344 2.618 20 30 CFEDHN Cc1cc(CN(C)C[C@H]2CCCC[C@H]2O)ccc1C#N ZINC000488329807 383523151 /nfs/dbraw/zinc/52/31/51/383523151.db2.gz PFHPEHOQWVQUNE-IAGOWNOFSA-N 0 3 272.392 2.850 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000429835398 383572267 /nfs/dbraw/zinc/57/22/67/383572267.db2.gz ARLGQLACCUIRJI-KBPBESRZSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H](NCC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000341130232 383576894 /nfs/dbraw/zinc/57/68/94/383576894.db2.gz AJKFABQNDOWFQL-AWEZNQCLSA-N 0 3 293.370 2.525 20 30 CFEDHN N#CCC1(CNCc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000430022689 383583712 /nfs/dbraw/zinc/58/37/12/383583712.db2.gz MCOCZTLSYZXZMI-UHFFFAOYSA-N 0 3 284.338 2.795 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Br)cn1 ZINC000570283755 383590547 /nfs/dbraw/zinc/59/05/47/383590547.db2.gz UEHMFUCSQJLUHD-WQAKAFBOSA-N 0 3 297.196 2.838 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc(-n2cncn2)c(F)c1 ZINC000570459511 383606044 /nfs/dbraw/zinc/60/60/44/383606044.db2.gz PICGXPCCPJNQJW-AWEZNQCLSA-N 0 3 286.354 2.947 20 30 CFEDHN C[C@@H]1C[C@H]1N1CCN(c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000488719428 383569126 /nfs/dbraw/zinc/56/91/26/383569126.db2.gz YERCDNDOWWPFMB-PBFPGSCMSA-N 0 3 287.382 2.864 20 30 CFEDHN CO[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000451574158 383650017 /nfs/dbraw/zinc/65/00/17/383650017.db2.gz RGOBMEANWJCCSK-WOSRLPQWSA-N 0 3 258.365 2.976 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(F)cc2C#N)[C@@H]2CCO[C@@H]21 ZINC000451465502 383621725 /nfs/dbraw/zinc/62/17/25/383621725.db2.gz POOQPFMAUXKFIN-ZNMIVQPWSA-N 0 3 274.339 2.600 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC000451497939 383628376 /nfs/dbraw/zinc/62/83/76/383628376.db2.gz WGASXQWYYBLFGJ-WBVHZDCISA-N 0 3 288.391 2.860 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1C[C@](C)(OC)C1(C)C ZINC000451497937 383628575 /nfs/dbraw/zinc/62/85/75/383628575.db2.gz WGASXQWYYBLFGJ-RDJZCZTQSA-N 0 3 288.391 2.860 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1scc(C)c1C#N ZINC000570736146 383630599 /nfs/dbraw/zinc/63/05/99/383630599.db2.gz IEWRAYPUZJEADR-UHFFFAOYSA-N 0 3 294.424 2.782 20 30 CFEDHN CCO[C@H]1CCN(CCOc2cccc(C#N)c2)C[C@H]1C ZINC000451527937 383636187 /nfs/dbraw/zinc/63/61/87/383636187.db2.gz HRUDURBTYUREMF-PBHICJAKSA-N 0 3 288.391 2.684 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000264520479 383750709 /nfs/dbraw/zinc/75/07/09/383750709.db2.gz WORUPVZRZNMQLB-UHFFFAOYSA-N 0 3 298.390 2.788 20 30 CFEDHN C[C@@H]1C[C@@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433222359 383756368 /nfs/dbraw/zinc/75/63/68/383756368.db2.gz YLORTSKMODUPMQ-BPLDGKMQSA-N 0 3 256.349 2.531 20 30 CFEDHN CN(C)[C@@H](CC(=O)N(CC#N)C1CCCC1)c1ccccc1 ZINC000433343942 383762064 /nfs/dbraw/zinc/76/20/64/383762064.db2.gz PKXFGDATEPZJEF-KRWDZBQOSA-N 0 3 299.418 2.974 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529907852 383762370 /nfs/dbraw/zinc/76/23/70/383762370.db2.gz ZWCQANTVXLPYDZ-CXAGYDPISA-N 0 3 284.359 2.532 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000529890291 383762711 /nfs/dbraw/zinc/76/27/11/383762711.db2.gz ZTCFHNYTEMBYOS-VIFPVBQESA-N 0 3 282.265 2.750 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530026312 383764056 /nfs/dbraw/zinc/76/40/56/383764056.db2.gz HZYWGDPXCKZMCT-ZBFHGGJFSA-N 0 3 264.413 2.722 20 30 CFEDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336978 383770687 /nfs/dbraw/zinc/77/06/87/383770687.db2.gz XKPLXBIBXAXPKQ-CJNGLKHVSA-N 0 3 297.402 2.678 20 30 CFEDHN C=CCNC(=O)CN1CC[C@](C)(CCc2ccccc2)C1 ZINC000434909277 383772398 /nfs/dbraw/zinc/77/23/98/383772398.db2.gz KQFQZTACURKHPN-SFHVURJKSA-N 0 3 286.419 2.633 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451616474 383668266 /nfs/dbraw/zinc/66/82/66/383668266.db2.gz VVOXGTNYMMMSRF-SJORKVTESA-N 0 3 288.366 2.584 20 30 CFEDHN CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000572733496 383811471 /nfs/dbraw/zinc/81/14/71/383811471.db2.gz CCOQAYAOVGWBQV-JKSUJKDBSA-N 0 3 299.418 2.563 20 30 CFEDHN CC#CCN(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000645985529 383812563 /nfs/dbraw/zinc/81/25/63/383812563.db2.gz FSEQWTNQHGFWOA-QGZVFWFLSA-N 0 3 257.377 2.673 20 30 CFEDHN CCC[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)OC ZINC000453241975 383812732 /nfs/dbraw/zinc/81/27/32/383812732.db2.gz DXBUYJQXGWEHLT-GOEBONIOSA-N 0 3 258.365 2.950 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000453141239 383781742 /nfs/dbraw/zinc/78/17/42/383781742.db2.gz BXKBHFRJOWKRMT-LSDHHAIUSA-N 0 3 274.339 2.745 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000453378021 383849392 /nfs/dbraw/zinc/84/93/92/383849392.db2.gz YKSHNIMZUWNFFG-MAZHCROVSA-N 0 3 256.349 2.942 20 30 CFEDHN C#CCCCC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000192078251 533016081 /nfs/dbraw/zinc/01/60/81/533016081.db2.gz MVPCRPQGWXRDPG-QGZVFWFLSA-N 0 3 286.419 2.989 20 30 CFEDHN C[C@@H](N[C@@H](CO)CC1CCC1)c1ccc(C#N)c(F)c1 ZINC000280993071 195060325 /nfs/dbraw/zinc/06/03/25/195060325.db2.gz MXFLKZXBUDVQAY-IAQYHMDHSA-N 0 3 276.355 2.899 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000265231491 383870123 /nfs/dbraw/zinc/87/01/23/383870123.db2.gz IPEVJCXFIJHDGJ-NSHDSACASA-N 0 3 289.297 2.563 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](c3ccncc3)C2)c1 ZINC000573401152 383924703 /nfs/dbraw/zinc/92/47/03/383924703.db2.gz XYGDFPUSULBXNP-KRWDZBQOSA-N 0 3 263.344 2.943 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CN1CCC(C)(C)C1 ZINC000573219459 383895416 /nfs/dbraw/zinc/89/54/16/383895416.db2.gz CQJZVYBAWIGPPA-AWEZNQCLSA-N 0 3 299.418 2.810 20 30 CFEDHN N#Cc1cccc(NCCCN2CCc3ccccc3C2)n1 ZINC000265507148 383934391 /nfs/dbraw/zinc/93/43/91/383934391.db2.gz JQTNOIPDTFGAJC-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN C=CCCN(C)Cc1cnn(Cc2ccccc2)c1 ZINC000265764681 383994178 /nfs/dbraw/zinc/99/41/78/383994178.db2.gz BVDLPHNYJDKRBC-UHFFFAOYSA-N 0 3 255.365 2.939 20 30 CFEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000573692894 383974715 /nfs/dbraw/zinc/97/47/15/383974715.db2.gz QATBVYSOWSVLHD-AWEZNQCLSA-N 0 3 273.380 2.911 20 30 CFEDHN C[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(C#N)c(F)c1 ZINC000281094704 195100951 /nfs/dbraw/zinc/10/09/51/195100951.db2.gz QGDHTRWUQFPBTG-PRWKNARSSA-N 0 3 294.395 2.649 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CCCN(C(C)C)CC1 ZINC000637321175 384027116 /nfs/dbraw/zinc/02/71/16/384027116.db2.gz UBSAGYCDXSHDSQ-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000265818470 384007838 /nfs/dbraw/zinc/00/78/38/384007838.db2.gz RNGCGJFVEHAFKE-OAHLLOKOSA-N 0 3 279.428 2.673 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CCCC12CCN(C)CC2 ZINC000637322110 384028274 /nfs/dbraw/zinc/02/82/74/384028274.db2.gz PAUNBAVEPONBIH-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000439658325 384037643 /nfs/dbraw/zinc/03/76/43/384037643.db2.gz MTYMODXLSFSJPB-GFCCVEGCSA-N 0 3 265.316 2.524 20 30 CFEDHN Cc1cc([C@@](C)(O)CNCc2cccc(C#N)c2)c(C)o1 ZINC000266129677 384087409 /nfs/dbraw/zinc/08/74/09/384087409.db2.gz CMBOFDWNHRTSDR-KRWDZBQOSA-N 0 3 284.359 2.765 20 30 CFEDHN CC(C)C1CCC(N2CCN(C(=O)C(C)C#N)CC2)CC1 ZINC000440000016 384054364 /nfs/dbraw/zinc/05/43/64/384054364.db2.gz YHALDGRHMPZFLL-QQFBHYJXSA-N 0 3 291.439 2.505 20 30 CFEDHN C=CCc1cc(CN[C@H]2CCSC2)cc(OC)c1O ZINC000266159480 384097572 /nfs/dbraw/zinc/09/75/72/384097572.db2.gz MYYSEVCBHZPDPR-ZDUSSCGKSA-N 0 3 279.405 2.724 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)[C@H]1CCCO1 ZINC000440627838 384116353 /nfs/dbraw/zinc/11/63/53/384116353.db2.gz VMATUNJWDCWXTJ-HUUCEWRRSA-N 0 3 274.364 2.614 20 30 CFEDHN CCN(CC)CCSc1ccc(C#N)cc1[N+](=O)[O-] ZINC000266141944 384092157 /nfs/dbraw/zinc/09/21/57/384092157.db2.gz QSAPTUXLFWOROQ-UHFFFAOYSA-N 0 3 279.365 2.900 20 30 CFEDHN COCCOC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118400218 285084801 /nfs/dbraw/zinc/08/48/01/285084801.db2.gz VREQXBSGHRVDHA-CQSZACIVSA-N 0 3 288.391 2.747 20 30 CFEDHN C#CCCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000268757526 533043060 /nfs/dbraw/zinc/04/30/60/533043060.db2.gz ZAXVKJRMZMUNLI-UHFFFAOYSA-N 0 3 269.291 2.752 20 30 CFEDHN CSCCCN(C)CCOc1ccccc1C#N ZINC000266528340 384191758 /nfs/dbraw/zinc/19/17/58/384191758.db2.gz KZUORBHJGXVOPP-UHFFFAOYSA-N 0 3 264.394 2.622 20 30 CFEDHN COc1ccc(CN(C)CCCSCC#N)c(OC)c1 ZINC000266791802 384238613 /nfs/dbraw/zinc/23/86/13/384238613.db2.gz ZZQQUDMMPILQEG-UHFFFAOYSA-N 0 3 294.420 2.782 20 30 CFEDHN C#CCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000277344629 384272654 /nfs/dbraw/zinc/27/26/54/384272654.db2.gz ZMCLSZPLJOWMRZ-SJLPKXTDSA-N 0 3 296.414 2.933 20 30 CFEDHN CN(C)c1cccc(CNCc2ccc(C#N)s2)c1 ZINC000267199171 384321416 /nfs/dbraw/zinc/32/14/16/384321416.db2.gz OBECTZCKUAKNKI-UHFFFAOYSA-N 0 3 271.389 2.976 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H](O)c1cccc(F)c1 ZINC000267253734 384337326 /nfs/dbraw/zinc/33/73/26/384337326.db2.gz ZZIJDULBCDOPHR-BMIGLBTASA-N 0 3 290.363 2.971 20 30 CFEDHN C=CCOc1ccccc1CNC(=O)[C@@H](N)CCC(C)C ZINC000637994973 384337686 /nfs/dbraw/zinc/33/76/86/384337686.db2.gz ZNGYRGIBCJQLRD-HNNXBMFYSA-N 0 3 290.407 2.631 20 30 CFEDHN C=CCC[C@H](CO)NCc1c(F)cccc1CC ZINC000641760383 384327105 /nfs/dbraw/zinc/32/71/05/384327105.db2.gz QZNDXCJPBAMLKT-CYBMUJFWSA-N 0 3 251.345 2.805 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc(Cl)cc2cccnc21 ZINC000641767989 384333913 /nfs/dbraw/zinc/33/39/13/384333913.db2.gz SVQNHMUZOZUIJE-OAHLLOKOSA-N 0 3 288.778 2.752 20 30 CFEDHN CCN1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000267547253 384412855 /nfs/dbraw/zinc/41/28/55/384412855.db2.gz XDAFHISXBPLJMP-UHFFFAOYSA-N 0 3 276.811 2.719 20 30 CFEDHN C[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000267392235 384376614 /nfs/dbraw/zinc/37/66/14/384376614.db2.gz PDHLTPVIBYQTAZ-CJNGLKHVSA-N 0 3 277.795 2.927 20 30 CFEDHN C[C@]1(NCc2ccc(F)c(C#N)c2)CCO[C@@H]1C1CC1 ZINC000374633570 220324403 /nfs/dbraw/zinc/32/44/03/220324403.db2.gz WFPYSVVCDXNBPQ-CVEARBPZSA-N 0 3 274.339 2.745 20 30 CFEDHN C=CCC[C@H](CC)N[C@@H](c1nncn1C)C(C)C ZINC000289357195 197310774 /nfs/dbraw/zinc/31/07/74/197310774.db2.gz JWGSBCXXOWAWOW-QWHCGFSZSA-N 0 3 250.390 2.847 20 30 CFEDHN C[C@H](c1ccccc1)N(CCCC(C)(C)C#N)CC(N)=O ZINC000268204708 384564642 /nfs/dbraw/zinc/56/46/42/384564642.db2.gz RWGAZDQQDWIKGJ-CQSZACIVSA-N 0 3 287.407 2.865 20 30 CFEDHN C=C(C)CN(CCC(=O)NC(C)C)Cc1ccccc1 ZINC000279407348 384627141 /nfs/dbraw/zinc/62/71/41/384627141.db2.gz VNODNZSSWFZUOT-UHFFFAOYSA-N 0 3 274.408 2.979 20 30 CFEDHN C=CCCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000279568566 384681166 /nfs/dbraw/zinc/68/11/66/384681166.db2.gz OFSBVOUFZDMZAH-MRXNPFEDSA-N 0 3 287.407 2.526 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)C1 ZINC000638471887 384683997 /nfs/dbraw/zinc/68/39/97/384683997.db2.gz MUFOQVNLTUNKLL-IIAWOOMASA-N 0 3 272.392 2.747 20 30 CFEDHN CCC[C@H](NCc1cc(C#N)n(C)c1)[C@H](O)c1ccccc1 ZINC000279682991 384720071 /nfs/dbraw/zinc/72/00/71/384720071.db2.gz OYZGIVHOGNTRSQ-ZWKOTPCHSA-N 0 3 297.402 2.889 20 30 CFEDHN C=C(C)CN1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000638524358 384720148 /nfs/dbraw/zinc/72/01/48/384720148.db2.gz MNQVKOJJFOLCJO-UHFFFAOYSA-N 0 3 275.396 2.682 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000279706995 384729006 /nfs/dbraw/zinc/72/90/06/384729006.db2.gz HQTKZZFHTSSWLN-GDBMZVCRSA-N 0 3 288.391 2.562 20 30 CFEDHN CC(C)(C)C[C@H](CO)NCc1ccc(C#N)cc1F ZINC000269511894 384772727 /nfs/dbraw/zinc/77/27/27/384772727.db2.gz OYCSSDAINYXNDR-CYBMUJFWSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000279849193 384785285 /nfs/dbraw/zinc/78/52/85/384785285.db2.gz RYJMCBUEQOJUAG-YOEHRIQHSA-N 0 3 275.367 2.803 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000279849190 384785880 /nfs/dbraw/zinc/78/58/80/384785880.db2.gz RYJMCBUEQOJUAG-RHSMWYFYSA-N 0 3 275.367 2.803 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)Cc2cccs2)nn1 ZINC000643902263 384786863 /nfs/dbraw/zinc/78/68/63/384786863.db2.gz LPRIJIYCEPVGQK-LBPRGKRZSA-N 0 3 276.409 2.637 20 30 CFEDHN C#CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000269847627 384880223 /nfs/dbraw/zinc/88/02/23/384880223.db2.gz GDKNOKIIGZUMLN-AWEZNQCLSA-N 0 3 259.324 2.744 20 30 CFEDHN CC(C)[C@@H](O)C(C)(C)CNCc1ccc(C#N)cc1F ZINC000269960046 384921448 /nfs/dbraw/zinc/92/14/48/384921448.db2.gz UWIQFHLILNZBTB-OAHLLOKOSA-N 0 3 278.371 2.830 20 30 CFEDHN C[C@H](NCc1ccc(N(C)C)nc1)c1cccc(C#N)c1 ZINC000270083094 384969775 /nfs/dbraw/zinc/96/97/75/384969775.db2.gz JVHPUDXWNQODDM-ZDUSSCGKSA-N 0 3 280.375 2.870 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000638875206 385009158 /nfs/dbraw/zinc/00/91/58/385009158.db2.gz OTBPJIDCUYWCHK-OAHLLOKOSA-N 0 3 274.408 2.665 20 30 CFEDHN N#CCCCCNCc1cnc([C@H]2CCCO2)s1 ZINC000270216997 385019744 /nfs/dbraw/zinc/01/97/44/385019744.db2.gz MEMUAMFJRXPKPP-GFCCVEGCSA-N 0 3 265.382 2.778 20 30 CFEDHN C=CCC[C@H](C)NCc1ccc(S(=O)(=O)CC)s1 ZINC000280592508 385073874 /nfs/dbraw/zinc/07/38/74/385073874.db2.gz NIUQRHDAAKNQOG-NSHDSACASA-N 0 3 287.450 2.986 20 30 CFEDHN C=CCC[C@@H](C)NCc1ccc(S(=O)(=O)CC)s1 ZINC000280592507 385074762 /nfs/dbraw/zinc/07/47/62/385074762.db2.gz NIUQRHDAAKNQOG-LLVKDONJSA-N 0 3 287.450 2.986 20 30 CFEDHN C#CC[C@H](NCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000270247817 385028479 /nfs/dbraw/zinc/02/84/79/385028479.db2.gz UBDXRYMSVMCYSO-HNNXBMFYSA-N 0 3 288.391 2.865 20 30 CFEDHN C#CC[C@@H](NCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000270247819 385029383 /nfs/dbraw/zinc/02/93/83/385029383.db2.gz UBDXRYMSVMCYSO-OAHLLOKOSA-N 0 3 288.391 2.865 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)N1CCC[C@@H](C)C1 ZINC000270299543 385045491 /nfs/dbraw/zinc/04/54/91/385045491.db2.gz YURXPTDIKWBMCA-CABCVRRESA-N 0 3 299.418 2.603 20 30 CFEDHN C=C[C@@H](CC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000270300977 385045735 /nfs/dbraw/zinc/04/57/35/385045735.db2.gz RSYMHTYWLSTGIV-AWEZNQCLSA-N 0 3 272.392 2.557 20 30 CFEDHN C=C[C@H](CC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000270300979 385046071 /nfs/dbraw/zinc/04/60/71/385046071.db2.gz RSYMHTYWLSTGIV-CQSZACIVSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC000639045049 385120862 /nfs/dbraw/zinc/12/08/62/385120862.db2.gz FWFIYPGREZHWSA-LBPRGKRZSA-N 0 3 278.302 2.540 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(OC)ccc1OC ZINC000280635818 385094062 /nfs/dbraw/zinc/09/40/62/385094062.db2.gz MSSKNSKGYVUKEZ-SUMWQHHRSA-N 0 3 291.391 2.775 20 30 CFEDHN C=CCOc1cccc(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000270566192 385148274 /nfs/dbraw/zinc/14/82/74/385148274.db2.gz RYIPCMBFHWDMHS-ZDUSSCGKSA-N 0 3 289.297 2.654 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645205497 385242508 /nfs/dbraw/zinc/24/25/08/385242508.db2.gz PBJLGUFPPVGMIK-SWLSCSKDSA-N 0 3 289.354 2.599 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](OC)C[C@@H]1C ZINC000282285897 385271977 /nfs/dbraw/zinc/27/19/77/385271977.db2.gz IPFMGPVTEZBVKD-WFASDCNBSA-N 0 3 274.364 2.566 20 30 CFEDHN C=CCN1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000270960145 385283096 /nfs/dbraw/zinc/28/30/96/385283096.db2.gz NUOHJLKTXWJFGS-UHFFFAOYSA-N 0 3 296.418 2.894 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000271058545 385323378 /nfs/dbraw/zinc/32/33/78/385323378.db2.gz RWYWSHSCJNWLMI-HZPDHXFCSA-N 0 3 288.391 2.692 20 30 CFEDHN C[C@]1(CCCO)CCCN1Cc1ccccc1C#N ZINC000271134386 385346553 /nfs/dbraw/zinc/34/65/53/385346553.db2.gz BMEWDHHRWJBMFX-MRXNPFEDSA-N 0 3 258.365 2.685 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC000639238354 385367782 /nfs/dbraw/zinc/36/77/82/385367782.db2.gz KFQAANGSPLYROS-ZDUSSCGKSA-N 0 3 292.329 2.930 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](COC)C2)cc1OC ZINC000271201034 385373983 /nfs/dbraw/zinc/37/39/83/385373983.db2.gz UABNESYJBIELBG-HNNXBMFYSA-N 0 3 291.391 2.728 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccccc2n1C ZINC000639245829 385375904 /nfs/dbraw/zinc/37/59/04/385375904.db2.gz JZIHLHKQOMUFIB-ZBFHGGJFSA-N 0 3 256.349 2.611 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCc1cnccn1 ZINC000271322910 385380622 /nfs/dbraw/zinc/38/06/22/385380622.db2.gz KGXKKQSHGUWTJK-ZDUSSCGKSA-N 0 3 266.348 2.584 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000271905113 385396933 /nfs/dbraw/zinc/39/69/33/385396933.db2.gz WLGZGKNNATUHEL-NUEKZKHPSA-N 0 3 286.350 2.745 20 30 CFEDHN C=CCC1(NCc2cc(C3CC3)no2)CCOCC1 ZINC000639314820 385440646 /nfs/dbraw/zinc/44/06/46/385440646.db2.gz OQYOLVPPPKMLCG-UHFFFAOYSA-N 0 3 262.353 2.767 20 30 CFEDHN CC(C)COCCNC1(c2cccc(C#N)c2)CC1 ZINC000283324482 385456610 /nfs/dbraw/zinc/45/66/10/385456610.db2.gz OYVXJQQRFBTIFG-UHFFFAOYSA-N 0 3 258.365 2.810 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000272021612 385427726 /nfs/dbraw/zinc/42/77/26/385427726.db2.gz SBBAFEKAYDXSKW-XHDPSFHLSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000639347362 385471148 /nfs/dbraw/zinc/47/11/48/385471148.db2.gz ILCKUGTZCFZTHJ-GFCCVEGCSA-N 0 3 272.348 2.530 20 30 CFEDHN Cc1nsc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1C#N ZINC000283740145 385495066 /nfs/dbraw/zinc/49/50/66/385495066.db2.gz JBPRNYDJWMCIOV-OLZOCXBDSA-N 0 3 290.436 2.775 20 30 CFEDHN C=CCOCCN[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000272483907 385549159 /nfs/dbraw/zinc/54/91/59/385549159.db2.gz BJNVHZSKOPYHHD-AWEZNQCLSA-N 0 3 277.364 2.701 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H]1CCCC[C@@H]1O ZINC000272585334 385569046 /nfs/dbraw/zinc/56/90/46/385569046.db2.gz SJLMSMDXGGFXGQ-CJNGLKHVSA-N 0 3 276.355 2.680 20 30 CFEDHN N#Cc1ccnc(NCCCN2CCc3ccccc3C2)c1 ZINC000286204102 385571008 /nfs/dbraw/zinc/57/10/08/385571008.db2.gz RUTXLSKQNNUFFZ-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN C=C(C)CN1CCC(Nc2nccnc2OC(F)F)CC1 ZINC000288794111 197168039 /nfs/dbraw/zinc/16/80/39/197168039.db2.gz GCAAXJJCWYHJNB-UHFFFAOYSA-N 0 3 298.337 2.530 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000272599733 385573197 /nfs/dbraw/zinc/57/31/97/385573197.db2.gz UDPSZMJUQFXPKM-LBPRGKRZSA-N 0 3 295.379 2.566 20 30 CFEDHN C=CCC[C@@H](NC[C@@](C)(O)CCOC)c1ccco1 ZINC000286215218 385573409 /nfs/dbraw/zinc/57/34/09/385573409.db2.gz SFBOTTJCRUIUSC-HIFRSBDPSA-N 0 3 267.369 2.664 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CC[C@H](C)c2ccccc21 ZINC000272797064 385617671 /nfs/dbraw/zinc/61/76/71/385617671.db2.gz APHOKJWDUGQEEZ-XJKSGUPXSA-N 0 3 293.432 2.815 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000272800439 385619284 /nfs/dbraw/zinc/61/92/84/385619284.db2.gz BHHZAOLRIIOKOR-HZPDHXFCSA-N 0 3 293.432 2.513 20 30 CFEDHN N#Cc1cc(NCC2CCN(c3ccncc3)CC2)ccn1 ZINC000286513085 385638494 /nfs/dbraw/zinc/63/84/94/385638494.db2.gz NUCSIIFTEHIXCB-UHFFFAOYSA-N 0 3 293.374 2.677 20 30 CFEDHN C#CCCN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000286584334 385657213 /nfs/dbraw/zinc/65/72/13/385657213.db2.gz VLTAKFLAVMUWCA-CQSZACIVSA-N 0 3 259.349 2.562 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2cc(C)ccn2)CC1 ZINC000272945970 385663093 /nfs/dbraw/zinc/66/30/93/385663093.db2.gz LUKPBWQYPHCYJU-OAHLLOKOSA-N 0 3 290.407 2.560 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000287038729 385768443 /nfs/dbraw/zinc/76/84/43/385768443.db2.gz STUZAKOBYQDRAE-KGLIPLIRSA-N 0 3 293.407 2.990 20 30 CFEDHN C=CCOCCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639918261 385770395 /nfs/dbraw/zinc/77/03/95/385770395.db2.gz LMEBXAHJTOAZPD-AWEZNQCLSA-N 0 3 287.762 2.695 20 30 CFEDHN C=CCOCCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639918270 385770475 /nfs/dbraw/zinc/77/04/75/385770475.db2.gz LMEBXAHJTOAZPD-CQSZACIVSA-N 0 3 287.762 2.695 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H](O)c1ccccc1 ZINC000288614991 197127787 /nfs/dbraw/zinc/12/77/87/197127787.db2.gz RAJKTGOUTGJZPJ-XHDPSFHLSA-N 0 3 272.373 2.831 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000288552981 197110888 /nfs/dbraw/zinc/11/08/88/197110888.db2.gz VRDOAPFJDIUOAD-GDBMZVCRSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CCN1CCN(c2ncnc3sccc32)CC1 ZINC000274782421 385870216 /nfs/dbraw/zinc/87/02/16/385870216.db2.gz LDIRUNFOBKQARY-UHFFFAOYSA-N 0 3 288.420 2.780 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN1CCN(C2CCC2)CC1 ZINC000274816113 385876717 /nfs/dbraw/zinc/87/67/17/385876717.db2.gz WQSBMYCPFTUPNK-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN C#CCOc1ccccc1NC(=O)[C@@H](C)NC(C)(C)CC ZINC000274841363 385883032 /nfs/dbraw/zinc/88/30/32/385883032.db2.gz MDQGAFPYDFTOCQ-CYBMUJFWSA-N 0 3 288.391 2.804 20 30 CFEDHN CS[C@@H]1CN([C@H](C)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000276033043 385981213 /nfs/dbraw/zinc/98/12/13/385981213.db2.gz MHDYXWAYGSAOTF-UHOFOFEASA-N 0 3 289.448 2.597 20 30 CFEDHN C=CC[C@H](C(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000275091371 385931036 /nfs/dbraw/zinc/93/10/36/385931036.db2.gz ICJFCRVESFDFSC-KRWDZBQOSA-N 0 3 286.419 2.899 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC(c2ncc[nH]2)CC1 ZINC000276741095 386031004 /nfs/dbraw/zinc/03/10/04/386031004.db2.gz AHHRCBLEPILMDD-UHFFFAOYSA-N 0 3 265.360 2.641 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288469552 197086971 /nfs/dbraw/zinc/08/69/71/197086971.db2.gz ZZHQEIAIXVDOGA-ZBFHGGJFSA-N 0 3 272.392 2.732 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1CCCC[C@H]1OC ZINC000277095330 386127496 /nfs/dbraw/zinc/12/74/96/386127496.db2.gz ZLUBAOWRLRKWKF-LSDHHAIUSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C(Cl)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288295205 197046414 /nfs/dbraw/zinc/04/64/14/197046414.db2.gz WMLXSSKZOPVUBA-JSGCOSHPSA-N 0 3 295.814 2.730 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000681464893 542452737 /nfs/dbraw/zinc/45/27/37/542452737.db2.gz CILAJUIUPAAKPF-OAHLLOKOSA-N 0 3 289.394 2.997 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc2ncsc2c1 ZINC000681598814 542467694 /nfs/dbraw/zinc/46/76/94/542467694.db2.gz ZDMLSPQVXFLGLM-GXFFZTMASA-N 0 3 262.378 2.884 20 30 CFEDHN OCC[C@@H]1CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000279153566 285264407 /nfs/dbraw/zinc/26/44/07/285264407.db2.gz AQWWKHORTQRMAP-GOEBONIOSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(SC)cc1 ZINC000281286721 195181054 /nfs/dbraw/zinc/18/10/54/195181054.db2.gz SHLIGNAEKIMYQU-RYUDHWBXSA-N 0 3 278.421 2.750 20 30 CFEDHN COC(=O)CC1(CN(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000281437395 195239828 /nfs/dbraw/zinc/23/98/28/195239828.db2.gz KACFVHLLWQYXJM-UHFFFAOYSA-N 0 3 298.386 2.866 20 30 CFEDHN C=CCCCCN1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000574879000 335054735 /nfs/dbraw/zinc/05/47/35/335054735.db2.gz GTCWKFXHYPHOFB-CABCVRRESA-N 0 3 253.386 2.613 20 30 CFEDHN C=C(CNC(=O)NC1CCN(C2CC2)CC1)c1ccccc1 ZINC000286949069 196743799 /nfs/dbraw/zinc/74/37/99/196743799.db2.gz CTYSCXQNTLLNJT-UHFFFAOYSA-N 0 3 299.418 2.626 20 30 CFEDHN C[C@@H](C(=O)N1CCc2c1cccc2C#N)N1[C@H](C)CC[C@@H]1C ZINC000421958754 533221102 /nfs/dbraw/zinc/22/11/02/533221102.db2.gz CCIKIIWYVWDNCD-MJBXVCDLSA-N 0 3 297.402 2.709 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000186685693 260004902 /nfs/dbraw/zinc/00/49/02/260004902.db2.gz ULBNRTPIRDPTCT-HIFRSBDPSA-N 0 3 273.376 2.960 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000681727159 542482271 /nfs/dbraw/zinc/48/22/71/542482271.db2.gz PVFHOZMTJAJZMS-HOTGVXAUSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1 ZINC000681726854 542482280 /nfs/dbraw/zinc/48/22/80/542482280.db2.gz KQPPTOGVHBZQDX-IRXDYDNUSA-N 0 3 286.419 2.947 20 30 CFEDHN CC(C#N)C(=O)NCCc1cc2ccccc2s1 ZINC000356629731 260061723 /nfs/dbraw/zinc/06/17/23/260061723.db2.gz HGAYSBVUGKIXQN-SNVBAGLBSA-N 0 3 258.346 2.720 20 30 CFEDHN COc1cc(CNC[C@@]2(C)CCCC[C@@H]2O)ccc1C#N ZINC000281757187 195367529 /nfs/dbraw/zinc/36/75/29/195367529.db2.gz RLORXTIXGHUHFD-DLBZAZTESA-N 0 3 288.391 2.598 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](CC)c2ccc(OC)cc2)C1=O ZINC000282037509 195482492 /nfs/dbraw/zinc/48/24/92/195482492.db2.gz QRDXQZFDJVEMAE-HOTGVXAUSA-N 0 3 288.391 2.523 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000347058842 533237051 /nfs/dbraw/zinc/23/70/51/533237051.db2.gz BWQGGFSRZLTWSI-DTWKUNHWSA-N 0 3 268.263 2.625 20 30 CFEDHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000348134344 533342776 /nfs/dbraw/zinc/34/27/76/533342776.db2.gz HCXJLQDKCHCCFN-UKRRQHHQSA-N 0 3 261.340 2.582 20 30 CFEDHN N#Cc1ccccc1CN1CCCCC[C@H]1CCO ZINC000342023650 130205018 /nfs/dbraw/zinc/20/50/18/130205018.db2.gz RGYZFGUEANBHBQ-INIZCTEOSA-N 0 3 258.365 2.685 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCCC[C@H]1CCO ZINC000342057294 130227175 /nfs/dbraw/zinc/22/71/75/130227175.db2.gz IMKVMGYOAGPVBF-INIZCTEOSA-N 0 3 288.391 2.694 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191498539 130245271 /nfs/dbraw/zinc/24/52/71/130245271.db2.gz GEPKLXVKIDAWAP-YPMHNXCESA-N 0 3 265.401 2.534 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191561607 130254432 /nfs/dbraw/zinc/25/44/32/130254432.db2.gz WYMXHZRJIKLGRA-OAHLLOKOSA-N 0 3 296.418 2.507 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000342143164 130333628 /nfs/dbraw/zinc/33/36/28/130333628.db2.gz YCJFDVUFEXILLI-CPUCHLNUSA-N 0 3 297.402 2.641 20 30 CFEDHN CC(C)CN(CCN1CCCC1=O)Cc1ccc(C#N)cc1 ZINC000355944813 130357159 /nfs/dbraw/zinc/35/71/59/130357159.db2.gz OUIIUAKWVUZAFW-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@]2(C)CCCCN2)c1 ZINC000237773833 131056691 /nfs/dbraw/zinc/05/66/91/131056691.db2.gz NWNIAXNHDVKIHR-MRXNPFEDSA-N 0 3 274.364 2.722 20 30 CFEDHN CN(CC(C)(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000263805032 131335721 /nfs/dbraw/zinc/33/57/21/131335721.db2.gz RPHGMQAXVJQLTI-OAHLLOKOSA-N 0 3 285.391 2.641 20 30 CFEDHN CCc1ccc([C@@H](CNc2nccnc2C#N)N(C)C)cc1 ZINC000263907213 131357877 /nfs/dbraw/zinc/35/78/77/131357877.db2.gz RCGIKBAKRWPEKU-MRXNPFEDSA-N 0 3 295.390 2.625 20 30 CFEDHN CN(C)CCN(Cc1ccc(F)cc1)c1ncccc1C#N ZINC000268343518 131996389 /nfs/dbraw/zinc/99/63/89/131996389.db2.gz SJLDIAYJCUCCQV-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268529396 132022336 /nfs/dbraw/zinc/02/23/36/132022336.db2.gz WULSAAGZOIPBAO-UHFFFAOYSA-N 0 3 290.367 2.751 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@H](c2ccccc2F)C1 ZINC000268567435 132027849 /nfs/dbraw/zinc/02/78/49/132027849.db2.gz QKXSSWLCWJJICC-UONOGXRCSA-N 0 3 263.356 2.942 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000268957365 132093570 /nfs/dbraw/zinc/09/35/70/132093570.db2.gz WBYUHBVAXGSEGI-UHFFFAOYSA-N 0 3 294.782 2.632 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CCCC[C@H]1O ZINC000269409914 132166180 /nfs/dbraw/zinc/16/61/80/132166180.db2.gz ISJMQNFNEAIBQF-CVEARBPZSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000373811959 393473706 /nfs/dbraw/zinc/47/37/06/393473706.db2.gz OKIXFAVBFQXCCP-GDBMZVCRSA-N 0 3 280.412 2.586 20 30 CFEDHN C#CCOc1ccccc1CN1CCCO[C@@H]2CCC[C@@H]21 ZINC000374253133 393489308 /nfs/dbraw/zinc/48/93/08/393489308.db2.gz FCQNQOKWNPODNC-FUHWJXTLSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000302845354 393495025 /nfs/dbraw/zinc/49/50/25/393495025.db2.gz DBWLKGNSKJQHDX-JKSUJKDBSA-N 0 3 276.424 2.842 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)CCc1nccs1 ZINC000186311948 393544229 /nfs/dbraw/zinc/54/42/29/393544229.db2.gz NTEBAVFODYWWQK-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN COC[C@@H](NCC#Cc1cccc(Cl)c1)C1CC1 ZINC000183442089 393520052 /nfs/dbraw/zinc/52/00/52/393520052.db2.gz JIRBACDRQKNULO-OAHLLOKOSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCOCCCN[C@H](C)c1ccc(OC)cc1OC ZINC000684204824 542776076 /nfs/dbraw/zinc/77/60/76/542776076.db2.gz GOPAZPIRKHTHDN-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN2CC)CC(=O)N1 ZINC000329464560 393536318 /nfs/dbraw/zinc/53/63/18/393536318.db2.gz UTAISRUGSMAAAC-YNEHKIRRSA-N 0 3 281.400 2.572 20 30 CFEDHN COCc1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000037997021 393537208 /nfs/dbraw/zinc/53/72/08/393537208.db2.gz FHCAGKXFEIUTJV-UHFFFAOYSA-N 0 3 266.344 2.994 20 30 CFEDHN C=CCSCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000222060089 413066429 /nfs/dbraw/zinc/06/64/29/413066429.db2.gz HEWMJBHRTFAWOC-UHFFFAOYSA-N 0 3 266.366 2.912 20 30 CFEDHN C=CCSCCNCc1cccc([N+](=O)[O-])c1 ZINC000222060816 413066491 /nfs/dbraw/zinc/06/64/91/413066491.db2.gz ODXGWNDEKUXLOX-UHFFFAOYSA-N 0 3 252.339 2.604 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC(C)C)C(C)C ZINC000046049359 393575293 /nfs/dbraw/zinc/57/52/93/393575293.db2.gz LUADEVOFUJEXGD-OAHLLOKOSA-N 0 3 266.429 2.847 20 30 CFEDHN CC(=O)N1CCN([C@H]2CC[C@@H](C#N)C2)CC12CCCCC2 ZINC000334282301 393589026 /nfs/dbraw/zinc/58/90/26/393589026.db2.gz YDJSROKSVXIKET-CVEARBPZSA-N 0 3 289.423 2.546 20 30 CFEDHN Cc1cc(C#N)ccc1CN1[C@H](C)CC(O)C[C@H]1C ZINC000191177136 393589381 /nfs/dbraw/zinc/58/93/81/393589381.db2.gz SWOLUZGDBCEZMC-CHWSQXEVSA-N 0 3 258.365 2.600 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000334735775 393618935 /nfs/dbraw/zinc/61/89/35/393618935.db2.gz PEEONFZECMXVQF-RISCZKNCSA-N 0 3 282.347 2.776 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000335077616 393638978 /nfs/dbraw/zinc/63/89/78/393638978.db2.gz UQGGYKRPPLUXFW-QWHCGFSZSA-N 0 3 252.402 2.530 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1cscc1C#N ZINC000410852309 393642313 /nfs/dbraw/zinc/64/23/13/393642313.db2.gz KWJBGLDXBURZLW-UHFFFAOYSA-N 0 3 291.420 2.568 20 30 CFEDHN C[C@@H]1CC(C)(C)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000335208058 393652724 /nfs/dbraw/zinc/65/27/24/393652724.db2.gz OVDGWYGDVHYOHP-CJNGLKHVSA-N 0 3 295.386 2.888 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000194374431 393692211 /nfs/dbraw/zinc/69/22/11/393692211.db2.gz MHFANRQPRCPQLJ-FMKPAKJESA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC(C)(C)C[C@H]1C ZINC000412018363 393759613 /nfs/dbraw/zinc/75/96/13/393759613.db2.gz BGIOBWNJEYGWNA-DVOMOZLQSA-N 0 3 279.428 2.550 20 30 CFEDHN CC1(C)[C@@H](O)CCN1CC#Cc1ccc(Cl)cc1 ZINC000336031187 393715456 /nfs/dbraw/zinc/71/54/56/393715456.db2.gz DEXJGLJJVWIOIX-AWEZNQCLSA-N 0 3 263.768 2.537 20 30 CFEDHN C=C[C@@H](C)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000413181460 393779547 /nfs/dbraw/zinc/77/95/47/393779547.db2.gz FKVZOLYRDQQLSZ-SNVBAGLBSA-N 0 3 258.321 2.660 20 30 CFEDHN C[C@@H](C#N)CN(C(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC000338358339 393784006 /nfs/dbraw/zinc/78/40/06/393784006.db2.gz XACMPGQQPGSJCH-ZDUSSCGKSA-N 0 3 285.391 2.512 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(O)c2nc(C)ccc12 ZINC000338355286 393784166 /nfs/dbraw/zinc/78/41/66/393784166.db2.gz HPQBAMKLNUQOHB-UHFFFAOYSA-N 0 3 286.375 2.883 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000092704402 393789557 /nfs/dbraw/zinc/78/95/57/393789557.db2.gz HPTKBLOGZODBEV-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCC1(NC(=O)[C@@H](CC)N(C)C)CCCCC1 ZINC000413847410 393790902 /nfs/dbraw/zinc/79/09/02/393790902.db2.gz UHKFDLGOJSLSFF-CYBMUJFWSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000338566326 393791287 /nfs/dbraw/zinc/79/12/87/393791287.db2.gz DZMPAOYXFXTGGS-UHFFFAOYSA-N 0 3 267.376 2.933 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](CC)N(C)C ZINC000413986624 393793560 /nfs/dbraw/zinc/79/35/60/393793560.db2.gz MBUZGIZYMYKORD-HOTGVXAUSA-N 0 3 274.408 2.630 20 30 CFEDHN C[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1C ZINC000093480844 393798922 /nfs/dbraw/zinc/79/89/22/393798922.db2.gz LDXIVIPQOKGVHQ-STQMWFEESA-N 0 3 268.364 2.684 20 30 CFEDHN C=CCOCCN(Cc1ccc(C#N)cc1)C(C)C ZINC000338935999 393805329 /nfs/dbraw/zinc/80/53/29/393805329.db2.gz KRUFOVNHGPNUBQ-UHFFFAOYSA-N 0 3 258.365 2.971 20 30 CFEDHN CCCCCC(=O)NC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338942319 393805794 /nfs/dbraw/zinc/80/57/94/393805794.db2.gz KZPVZNHGSFJQTG-ZBFHGGJFSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1nccn1CCNCc1cccc(OCCCC#N)c1 ZINC000338955807 393807421 /nfs/dbraw/zinc/80/74/21/393807421.db2.gz XRXIMGBFUXYFHN-UHFFFAOYSA-N 0 3 298.390 2.664 20 30 CFEDHN C=CCOCCN1CCC(OCC2CCCC2)CC1 ZINC000339016790 393811284 /nfs/dbraw/zinc/81/12/84/393811284.db2.gz YUNNADOJOUXCQI-UHFFFAOYSA-N 0 3 267.413 2.860 20 30 CFEDHN CCCCCN(CC(=O)N(CC)C[C@@H](C)C#N)C(C)C ZINC000339090594 393817823 /nfs/dbraw/zinc/81/78/23/393817823.db2.gz HEIZFLBCVMKSRW-HNNXBMFYSA-N 0 3 281.444 2.895 20 30 CFEDHN C=CCOCCN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000339119859 393819152 /nfs/dbraw/zinc/81/91/52/393819152.db2.gz SXSRDWBEQZLUOQ-SNVBAGLBSA-N 0 3 251.292 2.852 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339419979 393825130 /nfs/dbraw/zinc/82/51/30/393825130.db2.gz GAUXKIWYLZRXKM-LBPRGKRZSA-N 0 3 257.312 2.685 20 30 CFEDHN COc1ccc(CN(C)CC[C@H]2CCCO2)cc1C#N ZINC000342599167 393867614 /nfs/dbraw/zinc/86/76/14/393867614.db2.gz JOMPPXNSCMWYMA-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000342873838 393872433 /nfs/dbraw/zinc/87/24/33/393872433.db2.gz RTDHMSDWQFTSIM-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN N#CC1(CNC(=O)c2cccc(CN3CCCC3)c2)CCC1 ZINC000416359313 393911081 /nfs/dbraw/zinc/91/10/81/393911081.db2.gz OUGWEGSQZZKLCB-UHFFFAOYSA-N 0 3 297.402 2.706 20 30 CFEDHN C[C@H]1CCCCN1CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425208732 393873649 /nfs/dbraw/zinc/87/36/49/393873649.db2.gz PMRIGGAVNISBRV-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN Cc1cc(N2CC(N(C)Cc3ccccc3)C2)c(C#N)cn1 ZINC000425253358 393874206 /nfs/dbraw/zinc/87/42/06/393874206.db2.gz KOYMWKGZALCIDV-UHFFFAOYSA-N 0 3 292.386 2.582 20 30 CFEDHN CN(CC1(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000343316584 393884136 /nfs/dbraw/zinc/88/41/36/393884136.db2.gz SXGTXNMHLYYGMW-QGZVFWFLSA-N 0 3 283.419 2.887 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2C(C)=CCC[C@H]2C)C1=O ZINC000343625516 393888905 /nfs/dbraw/zinc/88/89/05/393888905.db2.gz RLYSTLFCTVCKDW-PMPSAXMXSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000427498997 393893152 /nfs/dbraw/zinc/89/31/52/393893152.db2.gz ZFYFORFUNLLMCU-PVAVHDDUSA-N 0 3 286.419 2.945 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344697592 393902415 /nfs/dbraw/zinc/90/24/15/393902415.db2.gz LNOOYJVLQQGFQM-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000345713470 393914049 /nfs/dbraw/zinc/91/40/49/393914049.db2.gz PEPYGSRCVZPTTL-CYBMUJFWSA-N 0 3 287.411 2.732 20 30 CFEDHN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(C)C#N)c1 ZINC000345430990 393908162 /nfs/dbraw/zinc/90/81/62/393908162.db2.gz STBBIBKOFQZANE-HUBLWGQQSA-N 0 3 272.348 2.764 20 30 CFEDHN C=CCC[C@@H](CC)NCc1ccc(S(C)(=O)=O)s1 ZINC000345482382 393909757 /nfs/dbraw/zinc/90/97/57/393909757.db2.gz JXMJOTVNJVTVQF-LLVKDONJSA-N 0 3 287.450 2.986 20 30 CFEDHN CC(C#N)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000345744694 393916109 /nfs/dbraw/zinc/91/61/09/393916109.db2.gz DJVFNZJJYKPZKV-VIFPVBQESA-N 0 3 287.750 2.866 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn2cccc(F)c2n1 ZINC000684767647 542850992 /nfs/dbraw/zinc/85/09/92/542850992.db2.gz OEJMWLHVGWLVAO-WFASDCNBSA-N 0 3 289.354 2.544 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCC1CCCCC1 ZINC000346261644 393924576 /nfs/dbraw/zinc/92/45/76/393924576.db2.gz NIENFFNSPSNREQ-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccoc1 ZINC000346320420 393926193 /nfs/dbraw/zinc/92/61/93/393926193.db2.gz ZROWIQVZRPUWHX-HNNXBMFYSA-N 0 3 268.316 2.668 20 30 CFEDHN CC(C)C[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346385291 393928195 /nfs/dbraw/zinc/92/81/95/393928195.db2.gz MZYTXXOGDAKGKP-HUUCEWRRSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](CO)N(Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000347237952 393938584 /nfs/dbraw/zinc/93/85/84/393938584.db2.gz UUPLDVWRBMJBFQ-LBPRGKRZSA-N 0 3 276.355 2.823 20 30 CFEDHN C=CCSc1ccccc1C(=O)N[C@H](C)CN(C)C ZINC000346157236 393922085 /nfs/dbraw/zinc/92/20/85/393922085.db2.gz KDVIXJGDSVWAGG-GFCCVEGCSA-N 0 3 278.421 2.645 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000435725247 394018830 /nfs/dbraw/zinc/01/88/30/394018830.db2.gz GAJFDEFLLRQYDS-DOMZBBRYSA-N 0 3 294.326 2.805 20 30 CFEDHN Cc1nc(N2CC(N(C)Cc3ccccc3)C2)ccc1C#N ZINC000487749572 394022089 /nfs/dbraw/zinc/02/20/89/394022089.db2.gz KSEZKFYXTLGCFN-UHFFFAOYSA-N 0 3 292.386 2.582 20 30 CFEDHN Cc1ccc(-c2n[nH]cc2CNCC2(CC#N)CC2)o1 ZINC000430039536 393954192 /nfs/dbraw/zinc/95/41/92/393954192.db2.gz MJYSXXZRBIXXQS-UHFFFAOYSA-N 0 3 270.336 2.762 20 30 CFEDHN N#CCC1(CNCc2cnc(-c3ccccn3)s2)CC1 ZINC000430041635 393954856 /nfs/dbraw/zinc/95/48/56/393954856.db2.gz ADOBBAHQAPWEMU-UHFFFAOYSA-N 0 3 284.388 2.989 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(Cc2ccccn2)CC1 ZINC000121980143 393963278 /nfs/dbraw/zinc/96/32/78/393963278.db2.gz ILOXLBWHQNQQLO-UHFFFAOYSA-N 0 3 286.423 2.529 20 30 CFEDHN N#C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000349482901 393970554 /nfs/dbraw/zinc/97/05/54/393970554.db2.gz FDIKYPKEMVFJMJ-QGZVFWFLSA-N 0 3 297.402 2.704 20 30 CFEDHN C=CCCCCCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000265842951 393977485 /nfs/dbraw/zinc/97/74/85/393977485.db2.gz XCCDBYAWZPXQBH-UHFFFAOYSA-N 0 3 299.418 2.853 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000487189532 393988117 /nfs/dbraw/zinc/98/81/17/393988117.db2.gz ICENWIZEJIHUBK-YOEHRIQHSA-N 0 3 299.418 2.651 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H]1CSCCS1 ZINC000125200604 394003538 /nfs/dbraw/zinc/00/35/38/394003538.db2.gz RHXCEABFCGRTPF-AWEZNQCLSA-N 0 3 293.457 2.637 20 30 CFEDHN C=CCCc1ccccc1NC(=O)N[C@@H](C)CN(C)C ZINC000351659201 394005576 /nfs/dbraw/zinc/00/55/76/394005576.db2.gz RLQMVEYBKXNVNS-ZDUSSCGKSA-N 0 3 275.396 2.877 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000488743888 394038393 /nfs/dbraw/zinc/03/83/93/394038393.db2.gz IWBZMZFQVPGJRY-DXCKQFNASA-N 0 3 298.434 2.737 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000275282637 394046657 /nfs/dbraw/zinc/04/66/57/394046657.db2.gz WJFHKVSVQOMFCK-HOTGVXAUSA-N 0 3 261.340 2.724 20 30 CFEDHN COC(=O)[C@H]1CC12CCN([C@H](C)c1cccc(C#N)c1)CC2 ZINC000275572333 394047298 /nfs/dbraw/zinc/04/72/98/394047298.db2.gz IEUVTZBMYLYJEL-CZUORRHYSA-N 0 3 298.386 2.894 20 30 CFEDHN C#C[C@H](C)N(C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491544892 394052764 /nfs/dbraw/zinc/05/27/64/394052764.db2.gz NZABOZFDQIYSDV-UONOGXRCSA-N 0 3 280.412 2.587 20 30 CFEDHN C[C@H]1COCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000277502124 394056376 /nfs/dbraw/zinc/05/63/76/394056376.db2.gz PNSTWTLJAUHMJT-WFASDCNBSA-N 0 3 263.768 2.706 20 30 CFEDHN C#CCN(CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000491699898 394056445 /nfs/dbraw/zinc/05/64/45/394056445.db2.gz CWQUUEWWCKGKQI-AWEZNQCLSA-N 0 3 292.423 2.731 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000355261519 394061155 /nfs/dbraw/zinc/06/11/55/394061155.db2.gz CVSSFHIHOSZORP-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCCC[C@H]1C ZINC000437674832 394067954 /nfs/dbraw/zinc/06/79/54/394067954.db2.gz OSZWAQLMWJSOGH-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN CC(C)[C@@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000438488561 394078998 /nfs/dbraw/zinc/07/89/98/394078998.db2.gz DFAGYDIJENVNFW-NVXWUHKLSA-N 0 3 297.402 2.641 20 30 CFEDHN C[C@]1(CN[C@@H]2CC[C@@H](C#N)C2)OCCc2sccc21 ZINC000353610126 394033611 /nfs/dbraw/zinc/03/36/11/394033611.db2.gz LPAFBVRNMYIWRE-LALPHHSUSA-N 0 3 276.405 2.818 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N[C@@H]3CCCN(C)[C@H]3C)c2c1 ZINC000488129349 394036487 /nfs/dbraw/zinc/03/64/87/394036487.db2.gz RCDKAMJHUTVNLP-XJKSGUPXSA-N 0 3 294.402 2.731 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2cccc(C)c2)C1=O ZINC000281990117 394106296 /nfs/dbraw/zinc/10/62/96/394106296.db2.gz MTXUHUOXBWGHNV-SJORKVTESA-N 0 3 284.403 2.919 20 30 CFEDHN CC#CCCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281996772 394107918 /nfs/dbraw/zinc/10/79/18/394107918.db2.gz INIQZQHJHVJWRB-HNNXBMFYSA-N 0 3 271.408 2.812 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](CC)c2ccc(OC)cc2)C1=O ZINC000282037514 394114487 /nfs/dbraw/zinc/11/44/87/394114487.db2.gz QRDXQZFDJVEMAE-JKSUJKDBSA-N 0 3 288.391 2.523 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000358855300 394114625 /nfs/dbraw/zinc/11/46/25/394114625.db2.gz AUUTVVRWCQORTC-QWRGUYRKSA-N 0 3 251.292 2.730 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000358972110 394118229 /nfs/dbraw/zinc/11/82/29/394118229.db2.gz GMHSBHQBQUUOLU-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN CC(C#N)C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000359105348 394124413 /nfs/dbraw/zinc/12/44/13/394124413.db2.gz UDPVIKYETDHDBM-JTQLQIEISA-N 0 3 275.739 2.571 20 30 CFEDHN C=CCN(CCC#N)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000359441185 394134128 /nfs/dbraw/zinc/13/41/28/394134128.db2.gz GMFMBIIANOANHV-MRXNPFEDSA-N 0 3 289.423 2.712 20 30 CFEDHN CN(C)[C@H](CNc1cc(C#N)ccn1)c1cccs1 ZINC000285805401 394148802 /nfs/dbraw/zinc/14/88/02/394148802.db2.gz YLRLWDPTTYIFOF-GFCCVEGCSA-N 0 3 272.377 2.730 20 30 CFEDHN C[C@@]1(CNC(=O)CCCC#N)CCCN1Cc1ccccc1 ZINC000360653842 394156830 /nfs/dbraw/zinc/15/68/30/394156830.db2.gz RLGRQLDUMRUBLM-SFHVURJKSA-N 0 3 299.418 2.851 20 30 CFEDHN C[C@@H]1CCC[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000360674043 394157898 /nfs/dbraw/zinc/15/78/98/394157898.db2.gz FDKKHBVJEVKVPL-DLTLXFJOSA-N 0 3 299.418 2.747 20 30 CFEDHN CC#CCCNCc1c[nH]nc1-c1ccccc1F ZINC000360956702 394162293 /nfs/dbraw/zinc/16/22/93/394162293.db2.gz HRQQBZINOBAQAQ-UHFFFAOYSA-N 0 3 257.312 2.719 20 30 CFEDHN C=CCC[C@@H](NCC1(CO)CCOCC1)c1ccco1 ZINC000285895680 394163402 /nfs/dbraw/zinc/16/34/02/394163402.db2.gz BDFYCEQSEDYZKY-CQSZACIVSA-N 0 3 279.380 2.666 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](O)C2(C)C)c1 ZINC000361052289 394164046 /nfs/dbraw/zinc/16/40/46/394164046.db2.gz NPEFWPWVXGVBGT-OAHLLOKOSA-N 0 3 261.365 2.597 20 30 CFEDHN N#C[C@@H]1CCC[C@H](Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000361077206 394165116 /nfs/dbraw/zinc/16/51/16/394165116.db2.gz GKWIATHQPCYEED-UWWQBHOKSA-N 0 3 299.418 2.747 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H](CCO)CC1 ZINC000421048141 394169095 /nfs/dbraw/zinc/16/90/95/394169095.db2.gz YZBDXQQLGYBAOS-AWEZNQCLSA-N 0 3 258.365 2.543 20 30 CFEDHN CC[C@@H](CC#N)N[C@H]1CCc2ccc(OC)cc2C1 ZINC000133255760 394173198 /nfs/dbraw/zinc/17/31/98/394173198.db2.gz OIEDYBSXBQIFBD-GJZGRUSLSA-N 0 3 258.365 2.834 20 30 CFEDHN CN(Cc1cc(C#N)n(C)c1)C1CC(OC(C)(C)C)C1 ZINC000421377554 394209823 /nfs/dbraw/zinc/20/98/23/394209823.db2.gz SVYBRCKUTGAOJN-UHFFFAOYSA-N 0 3 275.396 2.675 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000364433864 394212300 /nfs/dbraw/zinc/21/23/00/394212300.db2.gz JEZYXXUXOHJWNH-KRWDZBQOSA-N 0 3 270.376 2.949 20 30 CFEDHN CC#CCN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000290193429 394227536 /nfs/dbraw/zinc/22/75/36/394227536.db2.gz SJMHVQLOZRKKDS-MRXNPFEDSA-N 0 3 255.361 2.694 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000150835271 394254982 /nfs/dbraw/zinc/25/49/82/394254982.db2.gz VMEAAZVLRGKQIE-CQSZACIVSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CCN(C(=O)NCC)C1)c1ccco1 ZINC000286098702 394192130 /nfs/dbraw/zinc/19/21/30/394192130.db2.gz MKSBTRYYBSJEDR-UONOGXRCSA-N 0 3 291.395 2.680 20 30 CFEDHN COc1cccc(C[C@@H](C)NCc2ccc(C#N)s2)n1 ZINC000421349803 394194962 /nfs/dbraw/zinc/19/49/62/394194962.db2.gz JMDBWHRNSVCMCS-LLVKDONJSA-N 0 3 287.388 2.744 20 30 CFEDHN C=CCC[C@@H](O)CN(CCC(F)(F)F)CC1CC1 ZINC000151349979 394262295 /nfs/dbraw/zinc/26/22/95/394262295.db2.gz IVFHMFNWZRRYEM-GFCCVEGCSA-N 0 3 265.319 2.978 20 30 CFEDHN C[C@]1(CO)CCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000493551978 394276016 /nfs/dbraw/zinc/27/60/16/394276016.db2.gz STGORFDILZPBEK-HUUCEWRRSA-N 0 3 278.783 2.852 20 30 CFEDHN CN1CCC[C@]2(CCN(c3snc(Cl)c3C#N)C2)C1 ZINC000292761290 394276605 /nfs/dbraw/zinc/27/66/05/394276605.db2.gz KGPJCHBFJXPEJW-ZDUSSCGKSA-N 0 3 296.827 2.590 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000493567007 394279176 /nfs/dbraw/zinc/27/91/76/394279176.db2.gz ZGDAYAVZBJYFAW-IJDCCNJMSA-N 0 3 297.402 2.513 20 30 CFEDHN C=C(C)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154381189 394297026 /nfs/dbraw/zinc/29/70/26/394297026.db2.gz QTLWYPYMVXOHNM-OAHLLOKOSA-N 0 3 290.382 2.730 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000493780655 394315065 /nfs/dbraw/zinc/31/50/65/394315065.db2.gz DKJVLZMWNIWWCO-OZSKJFCKSA-N 0 3 297.402 2.513 20 30 CFEDHN CC#CCCN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000156584490 394335487 /nfs/dbraw/zinc/33/54/87/394335487.db2.gz SKBLZHDUBGWYMH-UHFFFAOYSA-N 0 3 296.414 2.701 20 30 CFEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(C#N)c2)sc1C ZINC000155651565 394320914 /nfs/dbraw/zinc/32/09/14/394320914.db2.gz FEXPZRBZXWGHDR-CYBMUJFWSA-N 0 3 296.355 2.878 20 30 CFEDHN CC#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000156649548 394336985 /nfs/dbraw/zinc/33/69/85/394336985.db2.gz ZXXPETLCGVVWPN-ZIAGYGMSSA-N 0 3 280.412 2.635 20 30 CFEDHN N#Cc1ccnc(NC[C@@H]2CCN2C2CCCCC2)c1 ZINC000528112750 394392948 /nfs/dbraw/zinc/39/29/48/394392948.db2.gz DZCHTRVAPZGBTC-HNNXBMFYSA-N 0 3 270.380 2.772 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](OC)C(C)(C)C1 ZINC000451554090 394377003 /nfs/dbraw/zinc/37/70/03/394377003.db2.gz PBJFPMVGALNKDW-GJZGRUSLSA-N 0 3 296.455 2.546 20 30 CFEDHN CC(C)(C#N)CCCN1CCCN(c2nccs2)CC1 ZINC000174833897 394379910 /nfs/dbraw/zinc/37/99/10/394379910.db2.gz RBHBIPVHRDRMQN-UHFFFAOYSA-N 0 3 292.452 2.985 20 30 CFEDHN CN(CCCSCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178417207 394388187 /nfs/dbraw/zinc/38/81/87/394388187.db2.gz YPWDTWREMQFSAE-LJQANCHMSA-N 0 3 296.461 2.503 20 30 CFEDHN Cc1cnc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)cn1 ZINC000453405862 394398285 /nfs/dbraw/zinc/39/82/85/394398285.db2.gz QPRHOLGPQOTSTB-LBPRGKRZSA-N 0 3 284.338 2.689 20 30 CFEDHN Cc1cc(CN[C@@H]2C[C@]2(C)OC(C)C)ccc1C#N ZINC000527803119 394409613 /nfs/dbraw/zinc/40/96/13/394409613.db2.gz VGORLNUCDDCBDC-CVEARBPZSA-N 0 3 258.365 2.912 20 30 CFEDHN COC(=O)c1cccc(CN2C[C@@H]3CCCC[C@H]3C2)c1C#N ZINC000535962317 394550439 /nfs/dbraw/zinc/55/04/39/394550439.db2.gz DOQKNNFNRRDJPM-KBPBESRZSA-N 0 3 298.386 2.967 20 30 CFEDHN CCN(Cc1cccc(C(=O)OC)c1C#N)CC(C)C ZINC000535979899 394550788 /nfs/dbraw/zinc/55/07/88/394550788.db2.gz BYMAOOLHISUZDK-UHFFFAOYSA-N 0 3 274.364 2.823 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H](CO)C1CCCCC1 ZINC000541053854 394662426 /nfs/dbraw/zinc/66/24/26/394662426.db2.gz RAJHQQGJOKSPEH-INIZCTEOSA-N 0 3 288.391 2.598 20 30 CFEDHN C[C@H](NCCN1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000543763037 394742712 /nfs/dbraw/zinc/74/27/12/394742712.db2.gz XRKYLXCDUJGROT-OLZOCXBDSA-N 0 3 275.371 2.690 20 30 CFEDHN CCCCN(C)CCNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000542716605 394711346 /nfs/dbraw/zinc/71/13/46/394711346.db2.gz QVWLQKUXFPRHQJ-UHFFFAOYSA-N 0 3 293.798 2.673 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)N(C)c1cccc(C#N)c1 ZINC000548446980 394931326 /nfs/dbraw/zinc/93/13/26/394931326.db2.gz PNTYQCAVKHGEIB-LBPRGKRZSA-N 0 3 273.380 2.688 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC000558652413 395068633 /nfs/dbraw/zinc/06/86/33/395068633.db2.gz QJEFDSPTPXKGQQ-OAHLLOKOSA-N 0 3 299.418 2.639 20 30 CFEDHN CC[C@H](C)N[C@H](CNc1ccncc1C#N)c1ccco1 ZINC000557693892 395043781 /nfs/dbraw/zinc/04/37/81/395043781.db2.gz NLMAVLUFFWQLPH-SWLSCSKDSA-N 0 3 284.363 2.509 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](C)C[C@@H]2c2ccccc2)C1=O ZINC000285848223 542971132 /nfs/dbraw/zinc/97/11/32/542971132.db2.gz WYAHZGMPHXAMQS-HYVNUMGLSA-N 0 3 284.403 2.856 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647302296 395281617 /nfs/dbraw/zinc/28/16/17/395281617.db2.gz OIDSYLRWFVREIR-KEYYUXOJSA-N 0 3 289.423 2.851 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3ccncc32)CC1 ZINC000648773619 395305927 /nfs/dbraw/zinc/30/59/27/395305927.db2.gz SKEUFRSJQPYTPG-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(COc2ccccc2)CC1 ZINC000649255343 395462470 /nfs/dbraw/zinc/46/24/70/395462470.db2.gz TWKITGUWADNMFP-KRWDZBQOSA-N 0 3 275.392 2.714 20 30 CFEDHN C=CCCCCN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000649589688 395533642 /nfs/dbraw/zinc/53/36/42/395533642.db2.gz QSJKTAJWESADKA-NWDGAFQWSA-N 0 3 265.319 2.835 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(c(Cl)c1)OCO2 ZINC000650029261 395601430 /nfs/dbraw/zinc/60/14/30/395601430.db2.gz NSXZTZPCEXAJIW-NEPJUHHUSA-N 0 3 281.739 2.502 20 30 CFEDHN C=CCOCCNCc1csc(Br)c1 ZINC000379528956 543061184 /nfs/dbraw/zinc/06/11/84/543061184.db2.gz VCGACGUKZQXTKI-UHFFFAOYSA-N 0 3 276.199 2.803 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CC)C1 ZINC000042145653 397556516 /nfs/dbraw/zinc/55/65/16/397556516.db2.gz KVEUKZWAOGUFGO-GJZGRUSLSA-N 0 3 264.413 2.698 20 30 CFEDHN CCOC(=O)C1CCC(N(CC)CC2(C#N)CC2)CC1 ZINC000338374466 397650709 /nfs/dbraw/zinc/65/07/09/397650709.db2.gz YEXUEOMXWOJSKX-UHFFFAOYSA-N 0 3 278.396 2.734 20 30 CFEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCCC#N)N(C)C ZINC000360577635 397660242 /nfs/dbraw/zinc/66/02/42/397660242.db2.gz ARHUEMNPADYPEC-RHSMWYFYSA-N 0 3 287.407 2.796 20 30 CFEDHN C=CCCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000660247828 413183782 /nfs/dbraw/zinc/18/37/82/413183782.db2.gz BOHUFHAJTGFPGH-INIZCTEOSA-N 0 3 289.423 2.945 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC23CCCC3)CC1 ZINC000650852098 413202192 /nfs/dbraw/zinc/20/21/92/413202192.db2.gz QGFQNFXWXIPPIV-UHFFFAOYSA-N 0 3 291.439 2.755 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(C2CC2)CC1 ZINC000660277790 413213814 /nfs/dbraw/zinc/21/38/14/413213814.db2.gz JAJBQZMOOMBHOH-IYBDPMFKSA-N 0 3 289.423 2.506 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000356267420 155204040 /nfs/dbraw/zinc/20/40/40/155204040.db2.gz BDCIDRXDCGEBPQ-BBRMVZONSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)[C@@H](NCCc1cn[nH]n1)c1ccc(F)c(F)c1 ZINC000660312527 413236737 /nfs/dbraw/zinc/23/67/37/413236737.db2.gz RIEIUVJMAADMQV-CQSZACIVSA-N 0 3 278.306 2.532 20 30 CFEDHN C/C=C/C[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356422086 155261302 /nfs/dbraw/zinc/26/13/02/155261302.db2.gz UNBRPKBUAMOIKF-IBUXWKBASA-N 0 3 298.308 2.994 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccc(F)cc2)s1 ZINC000343190081 154137486 /nfs/dbraw/zinc/13/74/86/154137486.db2.gz DLADVPNIGSGZJP-UHFFFAOYSA-N 0 3 276.336 2.927 20 30 CFEDHN C[S@@](=O)c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000343267846 154160891 /nfs/dbraw/zinc/16/08/91/154160891.db2.gz GXSAFQFAMCECMT-HXUWFJFHSA-N 0 3 284.384 2.585 20 30 CFEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1(C)CC1 ZINC000345690655 154241538 /nfs/dbraw/zinc/24/15/38/154241538.db2.gz LELXRDWKEDCOKX-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C[C@H](NCc1cccc(C#N)c1F)[C@H]1CCCOC1 ZINC000348138642 154336435 /nfs/dbraw/zinc/33/64/35/154336435.db2.gz FZZSBDQAPDVBHK-FZMZJTMJSA-N 0 3 262.328 2.602 20 30 CFEDHN CC[C@@H](CO)N(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000348184140 154353289 /nfs/dbraw/zinc/35/32/89/154353289.db2.gz GBJTWAWMIHJFNH-KRWDZBQOSA-N 0 3 297.402 2.670 20 30 CFEDHN C[C@H](NC[C@@H](CO)c1cccnc1)c1ccc(C#N)cc1F ZINC000348207298 154362999 /nfs/dbraw/zinc/36/29/99/154362999.db2.gz OSURWOMLVOCMPN-WFASDCNBSA-N 0 3 299.349 2.519 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000663643283 413294517 /nfs/dbraw/zinc/29/45/17/413294517.db2.gz SMHYDXNVVLACQT-CQSZACIVSA-N 0 3 281.444 2.905 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355780774 155085277 /nfs/dbraw/zinc/08/52/77/155085277.db2.gz IIKFSDBFLIYQQL-ILXRZTDVSA-N 0 3 299.418 2.541 20 30 CFEDHN C[C@H](NCCO)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374665676 157147078 /nfs/dbraw/zinc/14/70/78/157147078.db2.gz SIMWFDFBWPXANI-ZDUSSCGKSA-N 0 3 266.344 2.868 20 30 CFEDHN N#Cc1ccc(CNC2CC(OCc3ccccc3)C2)o1 ZINC000375130067 157198891 /nfs/dbraw/zinc/19/88/91/157198891.db2.gz XYVCAWZIUFPZEC-UHFFFAOYSA-N 0 3 282.343 2.989 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@H]1[C@@H]1CCCO1 ZINC000375277353 157216926 /nfs/dbraw/zinc/21/69/26/157216926.db2.gz JEVHBXYZNAXIMZ-RDJZCZTQSA-N 0 3 286.375 2.580 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)CCC)CC1 ZINC000651273264 413390419 /nfs/dbraw/zinc/39/04/19/413390419.db2.gz HOWJKUVNTMLZAK-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc3ccncc3c2)CC1 ZINC000651273438 413388896 /nfs/dbraw/zinc/38/88/96/413388896.db2.gz NHABYYDFFMBOCI-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C/C=C(\C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001273317968 782010688 /nfs/dbraw/zinc/01/06/88/782010688.db2.gz LHVDKUZFUIXHDL-UUILKARUSA-N 0 3 291.420 2.524 20 30 CFEDHN C=CCCn1cc(CNCCCCc2ccccc2)nn1 ZINC000657294664 413408996 /nfs/dbraw/zinc/40/89/96/413408996.db2.gz CONLFBAWNYJLBR-UHFFFAOYSA-N 0 3 284.407 2.967 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H]2CC2(C)C)CC1 ZINC000660596997 413423349 /nfs/dbraw/zinc/42/33/49/413423349.db2.gz KYFDQXSZWXDVKA-CQSZACIVSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCCn1cc(CNCC(C)(C)c2ccccc2)nn1 ZINC000657307613 413427872 /nfs/dbraw/zinc/42/78/72/413427872.db2.gz QRBUYMBAUWBBKO-UHFFFAOYSA-N 0 3 284.407 2.922 20 30 CFEDHN CC1(C)C[C@H](NCc2cnc3ccc(C#N)cn23)C(C)(C)O1 ZINC000342796996 161709642 /nfs/dbraw/zinc/70/96/42/161709642.db2.gz MOGIPRDTLTXQAS-AWEZNQCLSA-N 0 3 298.390 2.642 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000344119288 161946420 /nfs/dbraw/zinc/94/64/20/161946420.db2.gz QVTBLJWOCWSDRD-WKPIXPDZSA-N 0 3 276.355 2.846 20 30 CFEDHN COC[C@H](Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000344698854 162103312 /nfs/dbraw/zinc/10/33/12/162103312.db2.gz IUDQVLLPELLPAX-AWEZNQCLSA-N 0 3 286.400 2.967 20 30 CFEDHN CCN1C[C@@H](C)N(c2ccc(Cl)c(C#N)n2)C[C@H]1C ZINC000345168400 162192777 /nfs/dbraw/zinc/19/27/77/162192777.db2.gz FNVLTIOPDXQHGJ-GHMZBOCLSA-N 0 3 278.787 2.526 20 30 CFEDHN COCCN(CCC(C)(C)OC)Cc1ccc(C#N)cc1 ZINC000346218458 162354796 /nfs/dbraw/zinc/35/47/96/162354796.db2.gz IAIXEJQTPIZNEZ-UHFFFAOYSA-N 0 3 290.407 2.822 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCCN1CC ZINC000660634897 413453861 /nfs/dbraw/zinc/45/38/61/413453861.db2.gz WFXCYAHLTGAHPX-OWCLPIDISA-N 0 3 291.439 2.753 20 30 CFEDHN COC1CCC(CCNCc2ccc(C#N)o2)CC1 ZINC000350216976 163067814 /nfs/dbraw/zinc/06/78/14/163067814.db2.gz AYHUUYFAFQDTTN-UHFFFAOYSA-N 0 3 262.353 2.836 20 30 CFEDHN CC(C)[C@](C)(CO)NCc1ccc(C#N)cc1Cl ZINC000352884371 163262908 /nfs/dbraw/zinc/26/29/08/163262908.db2.gz RCGWJIRSDIRRKN-AWEZNQCLSA-N 0 3 266.772 2.708 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1c3ccccc3C[C@H]1O)CC2 ZINC000353261895 163333369 /nfs/dbraw/zinc/33/33/69/163333369.db2.gz VJUNWJDZLGAZGI-GUDVDZBRSA-N 0 3 290.366 2.793 20 30 CFEDHN C=C(CNCc1cnc2n1CCC2)c1ccccc1 ZINC000657334256 413458227 /nfs/dbraw/zinc/45/82/27/413458227.db2.gz RVOQNWCIDJXYKO-UHFFFAOYSA-N 0 3 253.349 2.632 20 30 CFEDHN CCC#C[C@@H](C)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653711105 413461060 /nfs/dbraw/zinc/46/10/60/413461060.db2.gz RAJNKDARXUEMJH-UKRRQHHQSA-N 0 3 259.397 2.647 20 30 CFEDHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000181764635 287030394 /nfs/dbraw/zinc/03/03/94/287030394.db2.gz XQUOCWIZSHDLHR-CWTRNNRKSA-N 0 3 278.421 2.756 20 30 CFEDHN C/C=C(/C)C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001273317850 782011757 /nfs/dbraw/zinc/01/17/57/782011757.db2.gz LHVDKUZFUIXHDL-QCDXTXTGSA-N 0 3 291.420 2.524 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCN(CC2CC2)CC1 ZINC000118393784 287131208 /nfs/dbraw/zinc/13/12/08/287131208.db2.gz RNWKZFVFMMBGCN-AWEZNQCLSA-N 0 3 269.392 2.647 20 30 CFEDHN CN(C)Cc1ccc(CNC(=O)c2cccc(C#N)c2)cc1 ZINC000008431167 170336073 /nfs/dbraw/zinc/33/60/73/170336073.db2.gz HCTIQGWFLUUIAD-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN C=CCCCC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000284508716 196073677 /nfs/dbraw/zinc/07/36/77/196073677.db2.gz VZPQUTHHQJNLBU-INIZCTEOSA-N 0 3 290.407 2.770 20 30 CFEDHN N#Cc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000020124408 171006691 /nfs/dbraw/zinc/00/66/91/171006691.db2.gz URTDIFLTLQZUAA-UHFFFAOYSA-N 0 3 266.300 2.577 20 30 CFEDHN C=CCCn1cc(CN[C@H](CC)[C@@H]2CC2(C)C)nn1 ZINC000653766744 413488605 /nfs/dbraw/zinc/48/86/05/413488605.db2.gz SVKDANBUCVPOIS-UONOGXRCSA-N 0 3 262.401 2.769 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)N[C@@H](C)CC ZINC000284966932 196166813 /nfs/dbraw/zinc/16/68/13/196166813.db2.gz CUGISOFIZDGFEY-ZMSDIMECSA-N 0 3 286.419 2.514 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@](C)(CC)C2CC2)CC1 ZINC000664021721 413521836 /nfs/dbraw/zinc/52/18/36/413521836.db2.gz ZMVOSLVVFPWLPH-MRXNPFEDSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC[C@H](CO)N[C@H]1CCc2c1cc(F)cc2F ZINC000651469646 413488804 /nfs/dbraw/zinc/48/88/04/413488804.db2.gz UJVZHSMZRJTUIQ-ABAIWWIYSA-N 0 3 267.319 2.869 20 30 CFEDHN C=CCCn1cc(CN[C@@H](CC)[C@H]2CC2(C)C)nn1 ZINC000653766743 413489136 /nfs/dbraw/zinc/48/91/36/413489136.db2.gz SVKDANBUCVPOIS-KGLIPLIRSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCn1cc(CNCCc2c(C)cccc2C)nn1 ZINC000657400723 413558005 /nfs/dbraw/zinc/55/80/05/413558005.db2.gz UXDQBPPMISMAIU-UHFFFAOYSA-N 0 3 284.407 2.803 20 30 CFEDHN C=CCC[C@@H](O)CN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653906020 413591365 /nfs/dbraw/zinc/59/13/65/413591365.db2.gz OLPRJPIHZWLFAE-HUUCEWRRSA-N 0 3 267.413 2.737 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CO[C@H](CC)C2)cc1 ZINC000657460570 413633450 /nfs/dbraw/zinc/63/34/50/413633450.db2.gz HKXJXXRWJZYVQU-HUUCEWRRSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCCC(F)(F)C2)nn1 ZINC000657458939 413633962 /nfs/dbraw/zinc/63/39/62/413633962.db2.gz ROKBKFLUZTUQSY-LBPRGKRZSA-N 0 3 284.354 2.769 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)CC(C)(C)C)nn1 ZINC000657489113 413675648 /nfs/dbraw/zinc/67/56/48/413675648.db2.gz WNQDKEAQFXCEMF-LBPRGKRZSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2nnc3n2CCC3)C1 ZINC000651755488 413617720 /nfs/dbraw/zinc/61/77/20/413617720.db2.gz PXFWCJWXUUDIST-YNEHKIRRSA-N 0 3 260.385 2.620 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](C3CC3)C2)nn1 ZINC000657497274 413688090 /nfs/dbraw/zinc/68/80/90/413688090.db2.gz QSUMJQMHLICMIP-LSDHHAIUSA-N 0 3 274.412 2.913 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(C2(O)CC2)CC1 ZINC000651878656 413695947 /nfs/dbraw/zinc/69/59/47/413695947.db2.gz XZGQWEIYTZXGNF-UHFFFAOYSA-N 0 3 287.403 2.988 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654314344 413811458 /nfs/dbraw/zinc/81/14/58/413811458.db2.gz IMAVTCAHLOXOQN-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000664409394 413750897 /nfs/dbraw/zinc/75/08/97/413750897.db2.gz VLIFVTQMYVBTSU-JSGCOSHPSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ncnn1CCC ZINC000661113797 413765352 /nfs/dbraw/zinc/76/53/52/413765352.db2.gz ARPXWAYOAVJYDT-KGLIPLIRSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C2CC2)nn1C ZINC000661116563 413768662 /nfs/dbraw/zinc/76/86/62/413768662.db2.gz YVERSQXZRZTLLZ-OCCSQVGLSA-N 0 3 274.412 2.917 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C2CC2)nn1C ZINC000661116554 413769595 /nfs/dbraw/zinc/76/95/95/413769595.db2.gz YVERSQXZRZTLLZ-JSGCOSHPSA-N 0 3 274.412 2.917 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCC(=O)Nc1nccs1 ZINC000661118280 413770034 /nfs/dbraw/zinc/77/00/34/413770034.db2.gz XNGBFDFQWJHYPL-NWDGAFQWSA-N 0 3 279.409 2.806 20 30 CFEDHN C=CCCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000657582845 413771055 /nfs/dbraw/zinc/77/10/55/413771055.db2.gz JBWUPPQZUAOXEM-UHFFFAOYSA-N 0 3 293.842 2.758 20 30 CFEDHN OC[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000661154353 413789031 /nfs/dbraw/zinc/78/90/31/413789031.db2.gz LZLPYCPZFOKICU-HNNXBMFYSA-N 0 3 297.320 2.808 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000657702366 413870750 /nfs/dbraw/zinc/87/07/50/413870750.db2.gz FIQAMBNBDOVENQ-HZPDHXFCSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOCCCNCc1ccnn1-c1ccc(F)cc1 ZINC000657658732 413827672 /nfs/dbraw/zinc/82/76/72/413827672.db2.gz BRKJNTMPFAVDOT-UHFFFAOYSA-N 0 3 289.354 2.694 20 30 CFEDHN C=CCN(CCC(=O)N(C)c1ccccc1)[C@@H](C)COC ZINC000661238499 413837519 /nfs/dbraw/zinc/83/75/19/413837519.db2.gz CXRAJCFARWTODV-HNNXBMFYSA-N 0 3 290.407 2.562 20 30 CFEDHN C=CCN(CCC(=O)N(C)c1ccccc1)[C@H](C)COC ZINC000661238501 413838259 /nfs/dbraw/zinc/83/82/59/413838259.db2.gz CXRAJCFARWTODV-OAHLLOKOSA-N 0 3 290.407 2.562 20 30 CFEDHN CCc1ccc([C@@H](O)CNCc2ccc(C#N)cc2)cc1 ZINC000285537341 196319579 /nfs/dbraw/zinc/31/95/79/196319579.db2.gz POJAVYUBJIHCHA-SFHVURJKSA-N 0 3 280.371 2.944 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2)C1 ZINC000661378348 413936287 /nfs/dbraw/zinc/93/62/87/413936287.db2.gz DHMQVAAUJDUWQZ-DOTOQJQBSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NCCCC)C1 ZINC000661378289 413936509 /nfs/dbraw/zinc/93/65/09/413936509.db2.gz BQLWOEASHCEJHH-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000661379357 413938266 /nfs/dbraw/zinc/93/82/66/413938266.db2.gz XHARMGVOSFEUSV-UONOGXRCSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cccc(C(=O)NC)c2)C1 ZINC000661379859 413944723 /nfs/dbraw/zinc/94/47/23/413944723.db2.gz IZFXFLILLOLVPZ-AWEZNQCLSA-N 0 3 272.392 2.834 20 30 CFEDHN C=CCC1(NC(=O)NCC2(N(C)C)CCC2)CCCC1 ZINC000664719789 413911567 /nfs/dbraw/zinc/91/15/67/413911567.db2.gz ZQQJAIPXZHIZBR-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000661515740 414029262 /nfs/dbraw/zinc/02/92/62/414029262.db2.gz UFORFXJXSZIXAG-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664957733 414031953 /nfs/dbraw/zinc/03/19/53/414031953.db2.gz RBHCTQXZIAGOPZ-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000661528259 414036995 /nfs/dbraw/zinc/03/69/95/414036995.db2.gz YBFCQFZWVAMXRV-WMLDXEAASA-N 0 3 284.403 2.505 20 30 CFEDHN CC[C@H](C)CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037173169 173006304 /nfs/dbraw/zinc/00/63/04/173006304.db2.gz HGNMEXLYJPHFPD-STQMWFEESA-N 0 3 273.380 2.863 20 30 CFEDHN C=CCN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000037468883 173227325 /nfs/dbraw/zinc/22/73/25/173227325.db2.gz GYSMOMWJSQJFNO-SNVBAGLBSA-N 0 3 251.326 2.549 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CNC(C)C ZINC000037495685 173235166 /nfs/dbraw/zinc/23/51/66/173235166.db2.gz ZHPBMVUMRNEXQD-UHFFFAOYSA-N 0 3 286.828 2.914 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657974847 414083791 /nfs/dbraw/zinc/08/37/91/414083791.db2.gz SNBFGVQAMPFGOE-ONGXEEELSA-N 0 3 256.296 2.607 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661705985 414162935 /nfs/dbraw/zinc/16/29/35/414162935.db2.gz HCHXALSBBMAZTQ-SJORKVTESA-N 0 3 275.392 2.596 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)CCN1CCCCC1 ZINC000652992196 414166869 /nfs/dbraw/zinc/16/68/69/414166869.db2.gz FGFGFIVAXYYLII-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCN([C@H]1CCCN(C(C)C)C1=O)C(C)(C)C ZINC000661756087 414194791 /nfs/dbraw/zinc/19/47/91/414194791.db2.gz CIEJEEDSFHVVAZ-ZDUSSCGKSA-N 0 3 252.402 2.672 20 30 CFEDHN C=CCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)(C)C ZINC000661755213 414195026 /nfs/dbraw/zinc/19/50/26/414195026.db2.gz JHZDOLYMHOYEEZ-KBPBESRZSA-N 0 3 266.429 2.777 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665357848 414295992 /nfs/dbraw/zinc/29/59/92/414295992.db2.gz XOWSBJOTRUHOIO-UONOGXRCSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665355248 414296164 /nfs/dbraw/zinc/29/61/64/414296164.db2.gz NYGFBNPEAJSIAG-ZDUSSCGKSA-N 0 3 281.444 2.903 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@H](CC)CN1CCCC1 ZINC000655678003 414355265 /nfs/dbraw/zinc/35/52/65/414355265.db2.gz OSFBQINICACNKO-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCN1CCCC1 ZINC000665393259 414324473 /nfs/dbraw/zinc/32/44/73/414324473.db2.gz RFYMQFGYCWGOHG-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C[C@H](CO)NCCCOc1ccc(C(C)(C)C)cc1 ZINC000662166144 414440493 /nfs/dbraw/zinc/44/04/93/414440493.db2.gz SSZICYYVFGHQOJ-OAHLLOKOSA-N 0 3 277.408 2.890 20 30 CFEDHN C=C[C@H](CO)NCCc1cccc(Cl)c1Cl ZINC000662168425 414441526 /nfs/dbraw/zinc/44/15/26/414441526.db2.gz GARGZJWWSPEMLX-SNVBAGLBSA-N 0 3 260.164 2.672 20 30 CFEDHN N#CC(C(=O)c1cnc2n1CCC2)c1nc(C2CC2)cs1 ZINC000659115931 414441681 /nfs/dbraw/zinc/44/16/81/414441681.db2.gz KIKVYSCWWUTDHA-SNVBAGLBSA-N 0 3 298.371 2.653 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662211331 414458494 /nfs/dbraw/zinc/45/84/94/414458494.db2.gz FSQNTQDNJSDGKU-INIZCTEOSA-N 0 3 285.387 2.864 20 30 CFEDHN C=CCOc1ccccc1CNCC1(COC)CC1 ZINC000655839454 414473753 /nfs/dbraw/zinc/47/37/53/414473753.db2.gz VYXALLATKZDMCL-UHFFFAOYSA-N 0 3 261.365 2.768 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCCCCC ZINC000662080124 414397785 /nfs/dbraw/zinc/39/77/85/414397785.db2.gz NLVFCCBRSIJOCL-KFWWJZLASA-N 0 3 264.413 2.864 20 30 CFEDHN C=C1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659909598 414613367 /nfs/dbraw/zinc/61/33/67/414613367.db2.gz OJJHKHXUKHXWIN-OAHLLOKOSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000662857513 414622208 /nfs/dbraw/zinc/62/22/08/414622208.db2.gz NNPDSILOTCZHCS-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000659815698 414567096 /nfs/dbraw/zinc/56/70/96/414567096.db2.gz ISEVWWLQYGKTMU-UKRRQHHQSA-N 0 3 281.421 2.788 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000662630409 414582209 /nfs/dbraw/zinc/58/22/09/414582209.db2.gz IXIUOBOLYWVNHA-CZUORRHYSA-N 0 3 290.382 2.683 20 30 CFEDHN CCN1CCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000078832727 177395805 /nfs/dbraw/zinc/39/58/05/177395805.db2.gz IFWAQKYYRLPYPZ-NSHDSACASA-N 0 3 298.312 2.868 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000334764046 225312890 /nfs/dbraw/zinc/31/28/90/225312890.db2.gz RFOONXZDCWCKLJ-NOZJJQNGSA-N 0 3 264.275 2.788 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Cl)cc1Cl ZINC000334832876 225327298 /nfs/dbraw/zinc/32/72/98/225327298.db2.gz XBERZKUGYQHYQR-ZETCQYMHSA-N 0 3 257.120 2.769 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000346331219 225769967 /nfs/dbraw/zinc/76/99/67/225769967.db2.gz MFKBZVREYSMNGN-UMVBOHGHSA-N 0 3 256.349 2.798 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000347063366 226010482 /nfs/dbraw/zinc/01/04/82/226010482.db2.gz HHJQCUBYULABKP-LLVKDONJSA-N 0 3 254.289 2.722 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCC#N ZINC000347600109 226212432 /nfs/dbraw/zinc/21/24/32/226212432.db2.gz LFQWIAISXSIXTF-CVEARBPZSA-N 0 3 271.408 2.885 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000171680412 335074385 /nfs/dbraw/zinc/07/43/85/335074385.db2.gz FECOWHTWNURGCP-UHFFFAOYSA-N 0 3 277.343 2.598 20 30 CFEDHN N#CC(C(=O)c1cccc(OC(F)F)c1)c1ccncn1 ZINC000354469125 227006613 /nfs/dbraw/zinc/00/66/13/227006613.db2.gz MORCBXTZBICQJP-LLVKDONJSA-N 0 3 289.241 2.568 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000336474359 227046259 /nfs/dbraw/zinc/04/62/59/227046259.db2.gz JIURWBRVDHDHIB-QMMMGPOBSA-N 0 3 268.719 2.990 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000354684892 227068985 /nfs/dbraw/zinc/06/89/85/227068985.db2.gz XTELINWALHEQPL-VHSKPIJISA-N 0 3 266.703 2.611 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000352621607 227117610 /nfs/dbraw/zinc/11/76/10/227117610.db2.gz RPBIWVWARSDAHW-SNVBAGLBSA-N 0 3 262.740 2.647 20 30 CFEDHN O=C(NC1CC1)[C@@H]1CCCN1Cc1cccc2c[nH]nc21 ZINC000329013752 227258149 /nfs/dbraw/zinc/25/81/49/227258149.db2.gz PKFAZFHARHNTQD-AWEZNQCLSA-N 0 3 284.363 2.646 20 30 CFEDHN CCc1noc(C)c1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330103380 228040210 /nfs/dbraw/zinc/04/02/10/228040210.db2.gz IQQRTFLWOHFJMD-UHFFFAOYSA-N 0 3 291.395 2.867 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000330284256 228092749 /nfs/dbraw/zinc/09/27/49/228092749.db2.gz XFKPPRKMPOHWHO-ODXJTPSBSA-N 0 3 268.401 2.677 20 30 CFEDHN C[S@](=O)Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000353814360 228155581 /nfs/dbraw/zinc/15/55/81/228155581.db2.gz ZTCWJKCHHXRATG-FTRWYGJKSA-N 0 3 290.432 2.737 20 30 CFEDHN CO[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000353884834 228162767 /nfs/dbraw/zinc/16/27/67/228162767.db2.gz YEWKPWLOVFBIQW-INIZCTEOSA-N 0 3 274.364 2.590 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc2ccccc2n1 ZINC000186709994 260008741 /nfs/dbraw/zinc/00/87/41/260008741.db2.gz GWRDIXVLJIIRSJ-GXTWGEPZSA-N 0 3 256.349 2.822 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C(C)(C)C#N)C1 ZINC000323776897 260017198 /nfs/dbraw/zinc/01/71/98/260017198.db2.gz BUVNHSIIZQREOG-HNNXBMFYSA-N 0 3 299.418 2.517 20 30 CFEDHN CC#CCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187274490 260029964 /nfs/dbraw/zinc/02/99/64/260029964.db2.gz VGSNDZDOEGQRRA-YJBOKZPZSA-N 0 3 286.419 2.988 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)CCC1 ZINC000188040999 260070205 /nfs/dbraw/zinc/07/02/05/260070205.db2.gz FAYYCWPQGJCUGJ-KGLIPLIRSA-N 0 3 264.413 2.674 20 30 CFEDHN C[C@@H](F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000356712043 260090132 /nfs/dbraw/zinc/09/01/32/260090132.db2.gz BYDDJOKKOBBANM-OCCSQVGLSA-N 0 3 262.328 2.623 20 30 CFEDHN C#CCN(Cc1cccc2nccn21)C1CCCC1 ZINC000180585702 260106653 /nfs/dbraw/zinc/10/66/53/260106653.db2.gz XLUWBDDOLCOPJN-UHFFFAOYSA-N 0 3 253.349 2.712 20 30 CFEDHN C=CCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000117877458 260117415 /nfs/dbraw/zinc/11/74/15/260117415.db2.gz DKLKPFSHRGQTSW-OAHLLOKOSA-N 0 3 291.370 2.988 20 30 CFEDHN CC(C)(NCCCSCC#N)c1nccs1 ZINC000072519433 260163632 /nfs/dbraw/zinc/16/36/32/260163632.db2.gz XFMUCICONHLMSK-UHFFFAOYSA-N 0 3 255.412 2.615 20 30 CFEDHN C=CCOc1ccccc1CNCCCn1cccn1 ZINC000073870058 260164445 /nfs/dbraw/zinc/16/44/45/260164445.db2.gz YJUAMOVMEXXNRL-UHFFFAOYSA-N 0 3 271.364 2.628 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@H]1C[C@H](O)C1(C)C ZINC000517755085 260174729 /nfs/dbraw/zinc/17/47/29/260174729.db2.gz MXRHOUBSBPYZQQ-GJZGRUSLSA-N 0 3 272.392 2.737 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000517755084 260174763 /nfs/dbraw/zinc/17/47/63/260174763.db2.gz MXRHOUBSBPYZQQ-CABCVRRESA-N 0 3 272.392 2.737 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2CCCC[C@@H]2O)C1 ZINC000086038722 260206606 /nfs/dbraw/zinc/20/66/06/260206606.db2.gz ITWVOLGWMRXPOD-VNCIIQTRSA-N 0 3 284.403 2.751 20 30 CFEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)C1CCCC1 ZINC000068449048 260207490 /nfs/dbraw/zinc/20/74/90/260207490.db2.gz UGBVFIQSTHJGHJ-MRXNPFEDSA-N 0 3 279.428 2.694 20 30 CFEDHN CN(CC(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000053435358 260214149 /nfs/dbraw/zinc/21/41/49/260214149.db2.gz BPDWQIVMHQQRCI-UHFFFAOYSA-N 0 3 285.391 2.808 20 30 CFEDHN C#CCCN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000363469157 260276777 /nfs/dbraw/zinc/27/67/77/260276777.db2.gz MZTSMHPOZNCQMD-SNVBAGLBSA-N 0 3 271.286 2.631 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449250396 260314396 /nfs/dbraw/zinc/31/43/96/260314396.db2.gz LRVNGQLAQUOHEO-DZGCQCFKSA-N 0 3 292.810 2.868 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449250397 260314640 /nfs/dbraw/zinc/31/46/40/260314640.db2.gz LRVNGQLAQUOHEO-HIFRSBDPSA-N 0 3 292.810 2.868 20 30 CFEDHN CC1(C#N)CCC(N[C@@H](CCO)c2ccco2)CC1 ZINC000449254303 260318404 /nfs/dbraw/zinc/31/84/04/260318404.db2.gz XMZSKWZAPIRDBM-OWYJLGKBSA-N 0 3 262.353 2.765 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000090450766 260358984 /nfs/dbraw/zinc/35/89/84/260358984.db2.gz BUTPOHOOHTZKTO-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cnc2cc(C)nn2c1C ZINC000090451398 260359590 /nfs/dbraw/zinc/35/95/90/260359590.db2.gz UIQJFERZHLKVRC-CYBMUJFWSA-N 0 3 288.395 2.589 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000426831616 260538618 /nfs/dbraw/zinc/53/86/18/260538618.db2.gz FQWOBYSJXNYKII-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CSc1ccccc1)C(C)C ZINC000181162236 260573046 /nfs/dbraw/zinc/57/30/46/260573046.db2.gz MHOLYWQRNKEELT-HNNXBMFYSA-N 0 3 292.448 2.695 20 30 CFEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(Cl)c1 ZINC000181420583 260582805 /nfs/dbraw/zinc/58/28/05/260582805.db2.gz HDJXQHUPVPYIKM-GFCCVEGCSA-N 0 3 293.798 2.753 20 30 CFEDHN CN(CCCCC#N)Cc1cn(C)nc1C(F)(F)F ZINC000155334707 261100803 /nfs/dbraw/zinc/10/08/03/261100803.db2.gz CETZHYKGRUYKKF-UHFFFAOYSA-N 0 3 274.290 2.565 20 30 CFEDHN C#CCN(CCc1nc2ccccc2n1C)C1CCCC1 ZINC000490867107 261231799 /nfs/dbraw/zinc/23/17/99/261231799.db2.gz ZUWSYYVZULTTQB-UHFFFAOYSA-N 0 3 281.403 2.994 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000175665267 261240926 /nfs/dbraw/zinc/24/09/26/261240926.db2.gz JVEQRGYVHFYQRD-UHFFFAOYSA-N 0 3 266.410 2.605 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CC1CCC1 ZINC000361482035 261292268 /nfs/dbraw/zinc/29/22/68/261292268.db2.gz TYOAERXKGQNCBZ-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN C[C@@H](N(C)CC(=O)N(C)C1(C#N)CCCCC1)C1(C)CC1 ZINC000177219274 261340304 /nfs/dbraw/zinc/34/03/04/261340304.db2.gz RPKBTTDORMFYNN-CQSZACIVSA-N 0 3 291.439 2.792 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]2CCCC[C@H]21 ZINC000302751676 261354727 /nfs/dbraw/zinc/35/47/27/261354727.db2.gz LNFLZOBBLGMJRL-UXLLHSPISA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCSCCNCc1cnn(-c2ccccc2)c1 ZINC000105462443 261359391 /nfs/dbraw/zinc/35/93/91/261359391.db2.gz WEXCABNAVGNCRE-UHFFFAOYSA-N 0 3 273.405 2.881 20 30 CFEDHN C[NH+](C)CC1(C/N=C/c2ccccc2[O-])CCCC1 ZINC000183621916 261982644 /nfs/dbraw/zinc/98/26/44/261982644.db2.gz GPQDIQVDNWQYGP-GZTJUZNOSA-N 0 3 260.381 2.933 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(c2)OCO3)C1 ZINC000185710143 262067990 /nfs/dbraw/zinc/06/79/90/262067990.db2.gz ADZSRDSRMZTUHL-YPMHNXCESA-N 0 3 258.321 2.587 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000185783670 262070742 /nfs/dbraw/zinc/07/07/42/262070742.db2.gz IROIOFXBSOUVDV-DGCLKSJQSA-N 0 3 259.309 2.767 20 30 CFEDHN COc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1OC ZINC000185787379 262070897 /nfs/dbraw/zinc/07/08/97/262070897.db2.gz WRXWSHHSBKVUBJ-GXTWGEPZSA-N 0 3 274.364 2.876 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000185790310 262071640 /nfs/dbraw/zinc/07/16/40/262071640.db2.gz XJIZLIPPZRDZES-CVEARBPZSA-N 0 3 297.402 2.985 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000116955313 262200516 /nfs/dbraw/zinc/20/05/16/262200516.db2.gz KJJKIXKMGYLNSC-ZBFHGGJFSA-N 0 3 289.423 2.862 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000192669008 262208606 /nfs/dbraw/zinc/20/86/06/262208606.db2.gz MWBDWSCDULDIQS-ZBFHGGJFSA-N 0 3 297.402 2.985 20 30 CFEDHN N#CCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192982023 262213832 /nfs/dbraw/zinc/21/38/32/262213832.db2.gz QFYRNAYDABIMGH-CABCVRRESA-N 0 3 269.348 2.761 20 30 CFEDHN C=CC[C@@H]1N(C(=O)/C=C\CN(C)C)CCCC1(C)C ZINC000492955846 262252703 /nfs/dbraw/zinc/25/27/03/262252703.db2.gz QAUWEXYVXKXZBA-YHAOYDPOSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CC1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000111258444 262258747 /nfs/dbraw/zinc/25/87/47/262258747.db2.gz DLTIWCNBDWLVDW-UHFFFAOYSA-N 0 3 256.349 2.835 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCCC2(CCCCC2)C1 ZINC000111323666 262259689 /nfs/dbraw/zinc/25/96/89/262259689.db2.gz ZUWFAJWWTNOZNI-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000111260116 262264442 /nfs/dbraw/zinc/26/44/42/262264442.db2.gz NZCOPRYQSWZZQR-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C#CCC1(C(=O)N2CCCN(CCC)CC2)CCCCC1 ZINC000364945317 262265200 /nfs/dbraw/zinc/26/52/00/262265200.db2.gz CJNGUDAKDLOIBR-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000121103671 262268540 /nfs/dbraw/zinc/26/85/40/262268540.db2.gz DVSQXJXWNFGUKC-ZDUSSCGKSA-N 0 3 278.371 2.901 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C(F)(F)F)cc1 ZINC000184271608 262275346 /nfs/dbraw/zinc/27/53/46/262275346.db2.gz FPOZBRLYVOFKAR-GFCCVEGCSA-N 0 3 259.271 2.732 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(Br)c(F)c1 ZINC000184278360 262276093 /nfs/dbraw/zinc/27/60/93/262276093.db2.gz QYSUWGOPQKAMJU-JTQLQIEISA-N 0 3 288.160 2.615 20 30 CFEDHN CC[C@H](NCCCSCC#N)c1nccs1 ZINC000185045006 262300354 /nfs/dbraw/zinc/30/03/54/262300354.db2.gz IALHVPZCJDCPAM-JTQLQIEISA-N 0 3 255.412 2.831 20 30 CFEDHN C(#Cc1ccccc1)CN1CCCC12CCOCC2 ZINC000365256841 262355529 /nfs/dbraw/zinc/35/55/29/262355529.db2.gz PCPHCXKTENFUDR-UHFFFAOYSA-N 0 3 255.361 2.683 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000365278427 262357440 /nfs/dbraw/zinc/35/74/40/262357440.db2.gz VYYLIOJCOVOQJC-IBGZPJMESA-N 0 3 276.383 2.998 20 30 CFEDHN C[C@H](NCCCSCC#N)c1ccncc1F ZINC000338355899 262528354 /nfs/dbraw/zinc/52/83/54/262528354.db2.gz LTJCENNHKXPQNX-JTQLQIEISA-N 0 3 253.346 2.518 20 30 CFEDHN CN(C)c1cccc([C@H]2CCCN2CCOCCC#N)c1 ZINC000339006186 262580147 /nfs/dbraw/zinc/58/01/47/262580147.db2.gz WSVZDOXYXSXRSG-QGZVFWFLSA-N 0 3 287.407 2.820 20 30 CFEDHN N#CCCOCCN1CCC(OCC2CCCC2)CC1 ZINC000339014085 262583096 /nfs/dbraw/zinc/58/30/96/262583096.db2.gz JUQSDJZGAHNMRM-UHFFFAOYSA-N 0 3 280.412 2.588 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(Oc3ccccn3)CC2)C1 ZINC000339037661 262586324 /nfs/dbraw/zinc/58/63/24/262586324.db2.gz PHTBDVRSZQUUAH-UONOGXRCSA-N 0 3 271.364 2.617 20 30 CFEDHN COCCc1nc(C)c([C@H](C)NCCCC#N)s1 ZINC000273256232 263014413 /nfs/dbraw/zinc/01/44/13/263014413.db2.gz MAQMIBSTFUEYQV-JTQLQIEISA-N 0 3 267.398 2.595 20 30 CFEDHN N#CCCCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000273049008 263011836 /nfs/dbraw/zinc/01/18/36/263011836.db2.gz JYZGEJFKLSSHBO-UHFFFAOYSA-N 0 3 258.300 2.609 20 30 CFEDHN N#C[C@H]1CCC[C@H](N[C@H](CCO)c2ccccc2)C1 ZINC000274250734 263022340 /nfs/dbraw/zinc/02/23/40/263022340.db2.gz YTPMDYFCDFOVRP-CWRNSKLLSA-N 0 3 258.365 2.782 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)C12CCCN1CCC2 ZINC000414756354 263039220 /nfs/dbraw/zinc/03/92/20/263039220.db2.gz VMDZPDRIGXCSJZ-UHFFFAOYSA-N 0 3 290.432 2.891 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCCOc2ccccc2F)C1 ZINC000278151556 263045672 /nfs/dbraw/zinc/04/56/72/263045672.db2.gz ACWHRZNDDPSMIR-OLZOCXBDSA-N 0 3 262.328 2.876 20 30 CFEDHN Cc1ccc(NC(=O)CC(C)(C)C#N)c(CN(C)C)c1 ZINC000278279992 263046389 /nfs/dbraw/zinc/04/63/89/263046389.db2.gz FXKQLSPQQCPZEV-UHFFFAOYSA-N 0 3 273.380 2.935 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@H](O)c1cccc(F)c1 ZINC000278377316 263047608 /nfs/dbraw/zinc/04/76/08/263047608.db2.gz CUUMYIKIOMOTSD-OJDYBEQGSA-N 0 3 276.355 2.920 20 30 CFEDHN CN(C)c1cccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000278521715 263048736 /nfs/dbraw/zinc/04/87/36/263048736.db2.gz CPIHGNZWICVJNZ-CZUORRHYSA-N 0 3 257.381 2.877 20 30 CFEDHN Cc1ccccc1CN1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278773740 263050935 /nfs/dbraw/zinc/05/09/35/263050935.db2.gz YYHSVINTPUCRNK-SJLPKXTDSA-N 0 3 283.419 2.805 20 30 CFEDHN Cc1cccnc1OC1CCN(CCCCC#N)CC1 ZINC000279272279 263054260 /nfs/dbraw/zinc/05/42/60/263054260.db2.gz NMRJDFBYNLEQJY-UHFFFAOYSA-N 0 3 273.380 2.927 20 30 CFEDHN CC(C)(C#N)CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000279367912 263055178 /nfs/dbraw/zinc/05/51/78/263055178.db2.gz WVHUXTKMWJFYBF-UHFFFAOYSA-N 0 3 299.418 2.661 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000279578947 263056213 /nfs/dbraw/zinc/05/62/13/263056213.db2.gz MTIQLECCLBJMOE-STQMWFEESA-N 0 3 269.352 2.610 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCCCC2)cc1 ZINC000279568800 263056218 /nfs/dbraw/zinc/05/62/18/263056218.db2.gz YKEGIZGGCHDRAW-KRWDZBQOSA-N 0 3 295.386 2.937 20 30 CFEDHN CC(C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279717533 263056964 /nfs/dbraw/zinc/05/69/64/263056964.db2.gz LYEFURVLEIEMGM-INIZCTEOSA-N 0 3 283.375 2.793 20 30 CFEDHN CC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCCC1 ZINC000280358182 263060697 /nfs/dbraw/zinc/06/06/97/263060697.db2.gz ISYDGMZDZGXTEB-MRXNPFEDSA-N 0 3 295.386 2.937 20 30 CFEDHN COC[C@H](NCCCC1(C#N)CCOCC1)c1ccco1 ZINC000281507387 263069714 /nfs/dbraw/zinc/06/97/14/263069714.db2.gz YLBHVRXMNUADGD-AWEZNQCLSA-N 0 3 292.379 2.657 20 30 CFEDHN Cn1ccnc1[C@H](NCC1CCC(C#N)CC1)C1CC1 ZINC000282260446 263075387 /nfs/dbraw/zinc/07/53/87/263075387.db2.gz JXONKQQCYOZXGF-SSDMNJCBSA-N 0 3 272.396 2.791 20 30 CFEDHN COc1ccc([O-])c(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000282465936 263076836 /nfs/dbraw/zinc/07/68/36/263076836.db2.gz VWXSIXYNTAQCFK-UHFFFAOYSA-N 0 3 274.364 2.820 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/CCC2(O)CCC2)c([O-])c1 ZINC000284145260 263085795 /nfs/dbraw/zinc/08/57/95/263085795.db2.gz YXUVQIZVINWGPS-QGOAFFKASA-N 0 3 290.407 2.962 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000284428775 263086829 /nfs/dbraw/zinc/08/68/29/263086829.db2.gz RUMPTVJUMNYJSA-JQWIXIFHSA-N 0 3 281.306 2.855 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000285121623 263090404 /nfs/dbraw/zinc/09/04/04/263090404.db2.gz VPDFAVGWENLNHG-WMZOPIPTSA-N 0 3 299.418 2.880 20 30 CFEDHN N#CC1CCN(CCC(=O)N2CCCc3ccccc32)CC1 ZINC000285229006 263091423 /nfs/dbraw/zinc/09/14/23/263091423.db2.gz XYAUOIWGZNIBDJ-UHFFFAOYSA-N 0 3 297.402 2.591 20 30 CFEDHN C=CCCCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340205631 263092790 /nfs/dbraw/zinc/09/27/90/263092790.db2.gz ZZCKWXKOXNNXMU-WDEREUQCSA-N 0 3 251.292 2.730 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc(COC)c1 ZINC000340204867 263093015 /nfs/dbraw/zinc/09/30/15/263093015.db2.gz VVZKZDGQRSFOOD-UHFFFAOYSA-N 0 3 276.424 2.773 20 30 CFEDHN CC1(C#N)CCN(C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287821705 263102726 /nfs/dbraw/zinc/10/27/26/263102726.db2.gz PREMTIYGMOKELO-HNNXBMFYSA-N 0 3 292.810 2.869 20 30 CFEDHN Cc1ccc(NC(=O)CCCC#N)c(CN(C)C)c1 ZINC000291671651 263124674 /nfs/dbraw/zinc/12/46/74/263124674.db2.gz KMHHSCDKGSHUOP-UHFFFAOYSA-N 0 3 259.353 2.689 20 30 CFEDHN CCn1nccc1C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000294280762 263159044 /nfs/dbraw/zinc/15/90/44/263159044.db2.gz VZJAPCOPBZGBBX-UKRRQHHQSA-N 0 3 272.396 2.775 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccc(F)nc3)CC2)C1 ZINC000294771993 263167485 /nfs/dbraw/zinc/16/74/85/263167485.db2.gz ZGSHYJBQHKTADO-STQMWFEESA-N 0 3 289.354 2.756 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000296222860 263187713 /nfs/dbraw/zinc/18/77/13/263187713.db2.gz WFDFYTIYQHQVCG-HNNXBMFYSA-N 0 3 287.407 2.505 20 30 CFEDHN C[C@@H]1C[C@H](NCC2CCC(C#N)CC2)c2nccn21 ZINC000296609578 263193929 /nfs/dbraw/zinc/19/39/29/263193929.db2.gz YIDNDEFEEAUOGP-RYSNWHEDSA-N 0 3 258.369 2.808 20 30 CFEDHN COc1ccc(OCCN(C)[C@@H](C)CCC#N)cc1 ZINC000297733933 263208642 /nfs/dbraw/zinc/20/86/42/263208642.db2.gz CSONUMNYMJFSHX-ZDUSSCGKSA-N 0 3 262.353 2.698 20 30 CFEDHN N#CCCCNCc1ccccc1OC(F)(F)F ZINC000298099018 263215034 /nfs/dbraw/zinc/21/50/34/263215034.db2.gz PXWHECNVHPXMAN-UHFFFAOYSA-N 0 3 258.243 2.979 20 30 CFEDHN CN(CCC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000298110539 263215295 /nfs/dbraw/zinc/21/52/95/263215295.db2.gz PSQYFLVZWRVFTI-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000299164881 263232263 /nfs/dbraw/zinc/23/22/63/263232263.db2.gz XSPOBYFYYCTUNY-SEDUGSJDSA-N 0 3 264.394 2.767 20 30 CFEDHN C[C@H](CCC#N)N1CCC(O)(c2ccccc2)CC1 ZINC000299448184 263242395 /nfs/dbraw/zinc/24/23/95/263242395.db2.gz WLEMLLUGPKIVJL-CQSZACIVSA-N 0 3 258.365 2.662 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1cccc(Br)c1 ZINC000121179447 263291155 /nfs/dbraw/zinc/29/11/55/263291155.db2.gz DNNYRHFFQNULOE-UHFFFAOYSA-N 0 3 297.196 2.896 20 30 CFEDHN N#CC1(NC(=O)c2ccc(CN3CCCCC3)cc2)CCC1 ZINC000299530895 263245654 /nfs/dbraw/zinc/24/56/54/263245654.db2.gz SRSFTTRHDMMAAY-UHFFFAOYSA-N 0 3 297.402 2.849 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000299708450 263253280 /nfs/dbraw/zinc/25/32/80/263253280.db2.gz PVVGSCISOHSYPZ-OLZOCXBDSA-N 0 3 287.363 2.986 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000120827129 263286698 /nfs/dbraw/zinc/28/66/98/263286698.db2.gz WJNWLLZWOXUWMZ-INMHGKMJSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1cccs1 ZINC000121099393 263290304 /nfs/dbraw/zinc/29/03/04/263290304.db2.gz LNGSCFOTDCVYAR-LBPRGKRZSA-N 0 3 266.410 2.823 20 30 CFEDHN COc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccc1C#N ZINC000353640483 263293974 /nfs/dbraw/zinc/29/39/74/263293974.db2.gz GZQSMUOUJVFJGY-WFASDCNBSA-N 0 3 269.348 2.739 20 30 CFEDHN CC#CCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000341040476 263318819 /nfs/dbraw/zinc/31/88/19/263318819.db2.gz NSQGKWTVUKNDLJ-UHFFFAOYSA-N 0 3 284.359 2.590 20 30 CFEDHN C=CCN1CCC(NC(=O)NCc2cc(C)cs2)CC1 ZINC000454533421 263329169 /nfs/dbraw/zinc/32/91/69/263329169.db2.gz DABWSOAINKJQCK-UHFFFAOYSA-N 0 3 293.436 2.506 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000341278670 263330184 /nfs/dbraw/zinc/33/01/84/263330184.db2.gz FYZFYAGEPCVUIK-AWEZNQCLSA-N 0 3 292.379 2.992 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)C(CC)CC)CC1 ZINC000341698393 263346868 /nfs/dbraw/zinc/34/68/68/263346868.db2.gz LPTVOJZUFTVYJH-CYBMUJFWSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000341880984 263361722 /nfs/dbraw/zinc/36/17/22/263361722.db2.gz QMGQHYGFNAKWKK-QWHCGFSZSA-N 0 3 280.387 2.727 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000341886196 263363485 /nfs/dbraw/zinc/36/34/85/263363485.db2.gz XGLABLVUVWLNTP-VHSXEESVSA-N 0 3 273.298 2.939 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000341888174 263364354 /nfs/dbraw/zinc/36/43/54/263364354.db2.gz PPKSAMATMMJXLT-IUODEOHRSA-N 0 3 279.355 2.814 20 30 CFEDHN C=C1CCN(C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000341998913 263374652 /nfs/dbraw/zinc/37/46/52/263374652.db2.gz JAAIFXXKGKRKCG-MRXNPFEDSA-N 0 3 275.392 2.695 20 30 CFEDHN C=C1CCN(C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000342019704 263379375 /nfs/dbraw/zinc/37/93/75/263379375.db2.gz ZMUKSFQIGQYKLQ-MRXNPFEDSA-N 0 3 275.392 2.695 20 30 CFEDHN C=C1CCN(CCOCCOc2ccccc2)CC1 ZINC000341990987 263382493 /nfs/dbraw/zinc/38/24/93/263382493.db2.gz DXKAJKGBEQFEHM-UHFFFAOYSA-N 0 3 261.365 2.734 20 30 CFEDHN CCO[C@@H](C)c1ncc(C(=O)NC2CCN(C)CC2)s1 ZINC000330879353 264061270 /nfs/dbraw/zinc/06/12/70/264061270.db2.gz AWWYPXRAWXFDMO-JTQLQIEISA-N 0 3 297.424 2.639 20 30 CFEDHN CC[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N(CC)CC ZINC000330883399 264062171 /nfs/dbraw/zinc/06/21/71/264062171.db2.gz BEXCRMXWESLQJN-FMKPAKJESA-N 0 3 279.428 2.695 20 30 CFEDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccn1 ZINC000331007237 264106266 /nfs/dbraw/zinc/10/62/66/264106266.db2.gz SZPVHOUCAXMRDJ-TZMCWYRMSA-N 0 3 291.395 2.656 20 30 CFEDHN CC[C@@H](C)n1ncc(NC(=O)NC2CCN(C)CC2)c1C ZINC000331152297 264139618 /nfs/dbraw/zinc/13/96/18/264139618.db2.gz URNCLRMHVUGKEV-LLVKDONJSA-N 0 3 293.415 2.583 20 30 CFEDHN CCc1cc(CCCN2CCC(C)(C#N)CC2)on1 ZINC000331348475 264205885 /nfs/dbraw/zinc/20/58/85/264205885.db2.gz XEYAZFCYMADAEX-UHFFFAOYSA-N 0 3 261.369 2.795 20 30 CFEDHN CN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCC(C)(C)CC1 ZINC000127600457 264263171 /nfs/dbraw/zinc/26/31/71/264263171.db2.gz UEAUZQMRQYUFSC-QGZVFWFLSA-N 0 3 291.439 2.695 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@](CC)(CO)C1 ZINC000190228209 264395795 /nfs/dbraw/zinc/39/57/95/264395795.db2.gz JSDZLQLSKYHYJP-GOSISDBHSA-N 0 3 287.403 2.683 20 30 CFEDHN CCN(CC)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1ccco1 ZINC000442792431 265005644 /nfs/dbraw/zinc/00/56/44/265005644.db2.gz MHIRYNTZVKBIFZ-QLFBSQMISA-N 0 3 275.396 2.944 20 30 CFEDHN CN(C)CCN(C(=O)C[C@@H](CC#N)c1ccccc1)C1CC1 ZINC000356277626 266085732 /nfs/dbraw/zinc/08/57/32/266085732.db2.gz IVGMWIMLEQNZNQ-MRXNPFEDSA-N 0 3 299.418 2.627 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000356277362 266085822 /nfs/dbraw/zinc/08/58/22/266085822.db2.gz VCQWKUPDWIAKCZ-KKUMJFAQSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000356277365 266086092 /nfs/dbraw/zinc/08/60/92/266086092.db2.gz VCQWKUPDWIAKCZ-RRFJBIMHSA-N 0 3 264.413 2.674 20 30 CFEDHN CCN(CCOCCC#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000293556744 266129081 /nfs/dbraw/zinc/12/90/81/266129081.db2.gz RRSJPTRCDHBLFG-AWEZNQCLSA-N 0 3 271.364 2.871 20 30 CFEDHN C[C@@H]1[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CCCN1C ZINC000356737079 266167062 /nfs/dbraw/zinc/16/70/62/266167062.db2.gz LJHIWOFQWZWXGA-DJIMGWMZSA-N 0 3 299.418 2.673 20 30 CFEDHN CC(C)c1ccc(CN2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000356850809 266190510 /nfs/dbraw/zinc/19/05/10/266190510.db2.gz PADQXKJSXAJNTM-HNNXBMFYSA-N 0 3 299.418 2.614 20 30 CFEDHN C=CCN1CCC(NC(=O)N2[C@H](C)CC[C@H]2CC)CC1 ZINC000357587961 266332133 /nfs/dbraw/zinc/33/21/33/266332133.db2.gz KQRNUHOQJHDVGS-UKRRQHHQSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C(C)COc1cc(CNC[C@@H](O)C2CC2)ccc1OC ZINC000357763220 266356975 /nfs/dbraw/zinc/35/69/75/266356975.db2.gz NXGXIYVCIVFVOZ-OAHLLOKOSA-N 0 3 291.391 2.511 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000357840116 266373775 /nfs/dbraw/zinc/37/37/75/266373775.db2.gz UQFFADBYRHUWPO-SECBINFHSA-N 0 3 264.275 2.615 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000357884486 266381250 /nfs/dbraw/zinc/38/12/50/266381250.db2.gz VFFHDYPHTSWPCY-KGLIPLIRSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000357884487 266381534 /nfs/dbraw/zinc/38/15/34/266381534.db2.gz VFFHDYPHTSWPCY-UONOGXRCSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCC[C@@H](O)CN1CCc2c(C)cc(C)cc2C1 ZINC000362582024 267010267 /nfs/dbraw/zinc/01/02/67/267010267.db2.gz UHLTWTHCUPZBTO-MRXNPFEDSA-N 0 3 259.393 2.989 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115554634 267099898 /nfs/dbraw/zinc/09/98/98/267099898.db2.gz VRQLZXTUYFXKOE-YCPHGPKFSA-N 0 3 272.392 2.555 20 30 CFEDHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000527975289 267155152 /nfs/dbraw/zinc/15/51/52/267155152.db2.gz UCIVOUBSWWHICY-VQISRLSMSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCOCCNCc1c[nH]nc1-c1c(F)cccc1F ZINC000368429752 267171420 /nfs/dbraw/zinc/17/14/20/267171420.db2.gz QDLCUGCDUPNUJC-UHFFFAOYSA-N 0 3 293.317 2.647 20 30 CFEDHN C=CC[C@H](C)N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000116907720 267193851 /nfs/dbraw/zinc/19/38/51/267193851.db2.gz CGGOGPBQIBANNY-CABZTGNLSA-N 0 3 297.196 2.530 20 30 CFEDHN CC(C)c1nccn1[C@H]1CCCN(CCCC#N)C1 ZINC000369032594 267217398 /nfs/dbraw/zinc/21/73/98/267217398.db2.gz NABYOBOSKDIRGP-AWEZNQCLSA-N 0 3 260.385 2.947 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000369556313 267250737 /nfs/dbraw/zinc/25/07/37/267250737.db2.gz KVSLEIGPAHBOFW-ZBFHGGJFSA-N 0 3 280.412 2.586 20 30 CFEDHN CCCCCCCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000369593890 267252353 /nfs/dbraw/zinc/25/23/53/267252353.db2.gz XCHJXQAYVUUXIC-DLBZAZTESA-N 0 3 282.472 2.878 20 30 CFEDHN CC#CCCN1CCC(O)(Cc2ccc(C)cc2)CC1 ZINC000369617056 267256363 /nfs/dbraw/zinc/25/63/63/267256363.db2.gz XZGHDDJVDYXFDC-UHFFFAOYSA-N 0 3 271.404 2.778 20 30 CFEDHN CC[C@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000369798026 267266117 /nfs/dbraw/zinc/26/61/17/267266117.db2.gz APMUYSKSMARVMG-RDJZCZTQSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC(C2CCCC2)CC1 ZINC000369810928 267268052 /nfs/dbraw/zinc/26/80/52/267268052.db2.gz ZYDUITNIKPCBHT-AWEZNQCLSA-N 0 3 291.439 2.649 20 30 CFEDHN CC#CCCN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000369948647 267278584 /nfs/dbraw/zinc/27/85/84/267278584.db2.gz PHEWUYFILAJWCA-INIZCTEOSA-N 0 3 288.435 2.514 20 30 CFEDHN C=CCCCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000193373000 267301487 /nfs/dbraw/zinc/30/14/87/267301487.db2.gz IRAYNLBLDXCMAQ-LLVKDONJSA-N 0 3 251.292 2.732 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@@H](NCC2(C#N)CCC2)C[C@@H]1C ZINC000418141903 267363417 /nfs/dbraw/zinc/36/34/17/267363417.db2.gz MEYAHQFMRLSOOI-BFHYXJOUSA-N 0 3 278.396 2.638 20 30 CFEDHN N#CCSCCCN1CC(Cc2ccccc2F)C1 ZINC000371207146 267371031 /nfs/dbraw/zinc/37/10/31/267371031.db2.gz IPAJEJYEIHABOS-UHFFFAOYSA-N 0 3 278.396 2.947 20 30 CFEDHN C#Cc1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000373904328 267721851 /nfs/dbraw/zinc/72/18/51/267721851.db2.gz HPVZNXLUYUIPLV-LJQANCHMSA-N 0 3 299.414 2.828 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC2(CCOC2=O)CC1 ZINC000376634432 268004218 /nfs/dbraw/zinc/00/42/18/268004218.db2.gz LAVPVUAHLLAANC-UHFFFAOYSA-N 0 3 278.396 2.736 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CC2)CC1 ZINC000376798537 268018478 /nfs/dbraw/zinc/01/84/78/268018478.db2.gz INQNGWHENOBZGW-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN N#Cc1ccc(CN2CCCN(CC3(F)CC3)CC2)cc1 ZINC000527509584 268217157 /nfs/dbraw/zinc/21/71/57/268217157.db2.gz AMTSPQQMCYMEHK-UHFFFAOYSA-N 0 3 287.382 2.568 20 30 CFEDHN N#Cc1cccc(CN2CCCCC[C@H]2CCO)c1F ZINC000342058517 268247966 /nfs/dbraw/zinc/24/79/66/268247966.db2.gz JWKNDOHKQUVBJU-HNNXBMFYSA-N 0 3 276.355 2.824 20 30 CFEDHN C[C@H](NC[C@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000030532724 270224586 /nfs/dbraw/zinc/22/45/86/270224586.db2.gz XZSACOCQUBRWBM-YOEHRIQHSA-N 0 3 296.370 2.649 20 30 CFEDHN CC(C)C[C@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000271322960 273518170 /nfs/dbraw/zinc/51/81/70/273518170.db2.gz XPRMDHOYGKNYAA-AWEZNQCLSA-N 0 3 272.396 2.510 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1O ZINC000352894397 273593356 /nfs/dbraw/zinc/59/33/56/273593356.db2.gz MTMKEMYEWSTHOT-OLZOCXBDSA-N 0 3 298.308 2.826 20 30 CFEDHN CN(C)C[C@@H]1CN(CCC(C)(C)C#N)c2ccccc2O1 ZINC000367008297 273799135 /nfs/dbraw/zinc/79/91/35/273799135.db2.gz XMSXCCUMPMPASF-CQSZACIVSA-N 0 3 287.407 2.755 20 30 CFEDHN C[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000249837648 274291970 /nfs/dbraw/zinc/29/19/70/274291970.db2.gz TYRASJHKKQVRNT-PBHICJAKSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@H]1CCCC[C@@H]1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000346161373 274553125 /nfs/dbraw/zinc/55/31/25/274553125.db2.gz XQLCMWBWVNUAGY-DOTOQJQBSA-N 0 3 298.434 2.902 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000295908175 275388779 /nfs/dbraw/zinc/38/87/79/275388779.db2.gz HHOZEACNFWOCPU-BBWFWOEESA-N 0 3 267.372 2.585 20 30 CFEDHN CCCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000071912826 275977291 /nfs/dbraw/zinc/97/72/91/275977291.db2.gz UVQOWYMICAWNIQ-UHFFFAOYSA-N 0 3 261.344 2.619 20 30 CFEDHN CC[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302205695 276569358 /nfs/dbraw/zinc/56/93/58/276569358.db2.gz JYHOQPOGHMSGES-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1F)[C@H](C)O ZINC000453324190 276640274 /nfs/dbraw/zinc/64/02/74/276640274.db2.gz BRTDPINAANTZQJ-BFVZDQMLSA-N 0 3 250.317 2.507 20 30 CFEDHN C=CCCC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000355830395 276883473 /nfs/dbraw/zinc/88/34/73/276883473.db2.gz PHEZRVIKMROHBJ-HNNXBMFYSA-N 0 3 276.424 2.820 20 30 CFEDHN CC#CCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000185295604 276930586 /nfs/dbraw/zinc/93/05/86/276930586.db2.gz TZFXCUFZELWDDO-QGZVFWFLSA-N 0 3 286.419 2.908 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1cccc(C#N)c1 ZINC000411885688 277771071 /nfs/dbraw/zinc/77/10/71/277771071.db2.gz JGXSPFNTCAFQHA-MSOLQXFVSA-N 0 3 278.355 2.960 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)CCN1CCOCC1)c1ccco1 ZINC000353622344 277838433 /nfs/dbraw/zinc/83/84/33/277838433.db2.gz NYSCEHPOMGZGCG-HOTGVXAUSA-N 0 3 292.423 2.987 20 30 CFEDHN CC(C)[C@H](CNc1ncc(C#N)cc1F)N1CCCC1 ZINC000413037621 277898590 /nfs/dbraw/zinc/89/85/90/277898590.db2.gz GACRLULDYDWNQR-AWEZNQCLSA-N 0 3 276.359 2.625 20 30 CFEDHN COc1cccc2c1CCN(Cc1ccc(C#N)o1)CC2 ZINC000194571509 278029408 /nfs/dbraw/zinc/02/94/08/278029408.db2.gz FFFCYLZBROXQIY-UHFFFAOYSA-N 0 3 282.343 2.761 20 30 CFEDHN C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000181999496 278279648 /nfs/dbraw/zinc/27/96/48/278279648.db2.gz USWGTPPUDJPSHZ-WFASDCNBSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@@H](CO)[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000274029046 278291022 /nfs/dbraw/zinc/29/10/22/278291022.db2.gz NQEQWRGJBOVUJW-RYUDHWBXSA-N 0 3 285.309 2.663 20 30 CFEDHN CC(C)(C)C[C@@H](O)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353272124 278332798 /nfs/dbraw/zinc/33/27/98/278332798.db2.gz ADGVQHOEFVHZHW-GDBMZVCRSA-N 0 3 272.392 2.932 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000271911599 278352539 /nfs/dbraw/zinc/35/25/39/278352539.db2.gz YBHGMIAVGMOICN-BXKDBHETSA-N 0 3 272.270 2.522 20 30 CFEDHN CCN(CCN1CCCC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000193758616 279186973 /nfs/dbraw/zinc/18/69/73/279186973.db2.gz FIGNOAMHBINUEF-AWEZNQCLSA-N 0 3 285.391 2.564 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344041193 280103824 /nfs/dbraw/zinc/10/38/24/280103824.db2.gz HKVHGVWJSTUEGW-GRDNDAEWSA-N 0 3 293.455 2.797 20 30 CFEDHN Cc1cn[nH]c1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334951511 280284301 /nfs/dbraw/zinc/28/43/01/280284301.db2.gz LSEHNSVDJWLIIW-HNNXBMFYSA-N 0 3 266.348 2.757 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000175864443 281358363 /nfs/dbraw/zinc/35/83/63/281358363.db2.gz UCHKJPVJWCVVQB-YRNRMSPPSA-N 0 3 290.432 2.728 20 30 CFEDHN C[C@H](NC[C@H](O)COc1ccccc1)c1cccc(C#N)c1 ZINC000540596915 281588195 /nfs/dbraw/zinc/58/81/95/281588195.db2.gz HQYAYTVZPPSUPF-YOEHRIQHSA-N 0 3 296.370 2.649 20 30 CFEDHN C[C@@H](NC(C)(C)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000545293521 281685011 /nfs/dbraw/zinc/68/50/11/281685011.db2.gz VISQTMIUVHTSME-GFCCVEGCSA-N 0 3 268.364 2.878 20 30 CFEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@@H]2C)c1C#N ZINC000558618761 281987262 /nfs/dbraw/zinc/98/72/62/281987262.db2.gz GLPDMKHLQYBSSY-NHYWBVRUSA-N 0 3 272.348 2.623 20 30 CFEDHN CCN1CCN(c2ccc3cc(C#N)ccc3n2)[C@@H](C)C1 ZINC000561356938 282052568 /nfs/dbraw/zinc/05/25/68/282052568.db2.gz JDFVFRHBUNABTI-ZDUSSCGKSA-N 0 3 280.375 2.637 20 30 CFEDHN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(C#N)c1 ZINC000414301027 290003473 /nfs/dbraw/zinc/00/34/73/290003473.db2.gz MOGYIOYEZIDRAE-GDLCADMTSA-N 0 3 280.318 2.758 20 30 CFEDHN C[C@H](O)[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000305638818 290008691 /nfs/dbraw/zinc/00/86/91/290008691.db2.gz JCNSIMNWZVPUQU-XEZPLFJOSA-N 0 3 258.365 2.712 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CC2CCCC2)s1 ZINC000563006707 290092956 /nfs/dbraw/zinc/09/29/56/290092956.db2.gz BBVUIIWRTSSNSB-GFCCVEGCSA-N 0 3 264.394 2.651 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000119214417 290218848 /nfs/dbraw/zinc/21/88/48/290218848.db2.gz SYVBWUFEUMDZIO-ZBFHGGJFSA-N 0 3 295.390 2.623 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339617779 290246547 /nfs/dbraw/zinc/24/65/47/290246547.db2.gz SBFXEWLRCUZWPG-MELADBBJSA-N 0 3 257.381 2.644 20 30 CFEDHN C[C@H]1CCC[C@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989322 290255250 /nfs/dbraw/zinc/25/52/50/290255250.db2.gz YMGNFJQIYOBBQD-WFASDCNBSA-N 0 3 283.379 2.611 20 30 CFEDHN C[C@@H]1CCC[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989317 290255332 /nfs/dbraw/zinc/25/53/32/290255332.db2.gz YMGNFJQIYOBBQD-IUODEOHRSA-N 0 3 283.379 2.611 20 30 CFEDHN Cc1csc(NC(=O)NC2(CN(C)C)CCC2)c1C#N ZINC000565163474 290274080 /nfs/dbraw/zinc/27/40/80/290274080.db2.gz QNROCKBQBCFRDE-UHFFFAOYSA-N 0 3 292.408 2.534 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000566243232 290361632 /nfs/dbraw/zinc/36/16/32/290361632.db2.gz SDFNZWGOWUNWPH-DOMZBBRYSA-N 0 3 283.379 2.611 20 30 CFEDHN C[C@@H]1C[C@H](C)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566301994 290368555 /nfs/dbraw/zinc/36/85/55/290368555.db2.gz RGUDDPHSVXGKLO-WDEREUQCSA-N 0 3 259.309 2.697 20 30 CFEDHN Cc1cccc2c1CC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000567814782 290497238 /nfs/dbraw/zinc/49/72/38/290497238.db2.gz TVNOXABEHNYFDL-QGZVFWFLSA-N 0 3 265.360 2.982 20 30 CFEDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@@H]2C)c(Cl)cc1C#N ZINC000292495841 293290368 /nfs/dbraw/zinc/29/03/68/293290368.db2.gz FJUSLIQCTSENOY-HZMBPMFUSA-N 0 3 292.814 2.692 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001085453281 782057747 /nfs/dbraw/zinc/05/77/47/782057747.db2.gz JDPHAPLBAIYOHO-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462861 782061822 /nfs/dbraw/zinc/06/18/22/782061822.db2.gz PJILCTRVMVYOHP-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN COc1ccc(C#N)cc1CN([C@H](C)CO)C1CCCC1 ZINC000347226104 295077078 /nfs/dbraw/zinc/07/70/78/295077078.db2.gz MDQBXSRMGWGKSG-CYBMUJFWSA-N 0 3 288.391 2.692 20 30 CFEDHN N#Cc1ccc(CN2CCNC[C@@H]2c2cccc(F)c2)cc1 ZINC000262183239 303190425 /nfs/dbraw/zinc/19/04/25/303190425.db2.gz IYZQDFLELUTEEK-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN Cc1ccccc1[C@@H](O)CN[C@H]1CCC[C@H](C#N)C1 ZINC000185824637 327846546 /nfs/dbraw/zinc/84/65/46/327846546.db2.gz DVPZEZXTZXCDFC-DZKIICNBSA-N 0 3 258.365 2.700 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000582120908 327879960 /nfs/dbraw/zinc/87/99/60/327879960.db2.gz YEULVHLHFLUQRA-GOEBONIOSA-N 0 3 287.407 2.609 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](CC)c2cccs2)C1=O ZINC000337214379 327951603 /nfs/dbraw/zinc/95/16/03/327951603.db2.gz XJZOEVSXLZXEIL-VXGBXAGGSA-N 0 3 264.394 2.576 20 30 CFEDHN C=CCCCCCN1CCO[C@H]2CCN(CC)C[C@H]21 ZINC000339391658 328009450 /nfs/dbraw/zinc/00/94/50/328009450.db2.gz BYRVJULMMIHZOG-CVEARBPZSA-N 0 3 266.429 2.528 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000563338725 328054823 /nfs/dbraw/zinc/05/48/23/328054823.db2.gz NCHVZAZVFSBWRL-XJKSGUPXSA-N 0 3 274.408 2.967 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](F)C1 ZINC000563330106 328055596 /nfs/dbraw/zinc/05/55/96/328055596.db2.gz DEFQGSLCPHHBOY-HUUCEWRRSA-N 0 3 274.339 2.719 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H](F)C1 ZINC000563330107 328055604 /nfs/dbraw/zinc/05/56/04/328055604.db2.gz DEFQGSLCPHHBOY-LSDHHAIUSA-N 0 3 274.339 2.719 20 30 CFEDHN CC(C)(C#N)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412253467 328106847 /nfs/dbraw/zinc/10/68/47/328106847.db2.gz XLWTZRNUMDSSOF-UHFFFAOYSA-N 0 3 299.418 2.952 20 30 CFEDHN CO[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1(C)C ZINC000451483172 328146892 /nfs/dbraw/zinc/14/68/92/328146892.db2.gz ASMVLMSBTPZLSI-LSDHHAIUSA-N 0 3 261.340 2.580 20 30 CFEDHN C#C[C@@H](NC(=N)Nc1cc(F)ccc1F)C(C)(C)C ZINC000262300116 328148071 /nfs/dbraw/zinc/14/80/71/328148071.db2.gz QAKZVZVOUQMUNW-GFCCVEGCSA-N 0 3 265.307 2.739 20 30 CFEDHN C#C[C@H](NC(=N)Nc1cc(F)ccc1F)C(C)(C)C ZINC000262300117 328148163 /nfs/dbraw/zinc/14/81/63/328148163.db2.gz QAKZVZVOUQMUNW-LBPRGKRZSA-N 0 3 265.307 2.739 20 30 CFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(CC#N)c1 ZINC000270941573 328194061 /nfs/dbraw/zinc/19/40/61/328194061.db2.gz NOHGLNJDKFOIRR-CQSZACIVSA-N 0 3 299.418 2.555 20 30 CFEDHN CN(CCC#N)c1ccc(CNC2CC(F)(F)C2)cc1 ZINC000277763316 328222486 /nfs/dbraw/zinc/22/24/86/328222486.db2.gz XHXSHXVXXYQEKY-UHFFFAOYSA-N 0 3 279.334 2.924 20 30 CFEDHN Cc1ccc(OCCN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000278593707 328227826 /nfs/dbraw/zinc/22/78/26/328227826.db2.gz LKFMNFZLMCIANP-CABCVRRESA-N 0 3 258.365 2.998 20 30 CFEDHN CN(Cc1ccc2c(c1)OCO2)[C@H]1CC[C@@H](C#N)C1 ZINC000278688246 328229458 /nfs/dbraw/zinc/22/94/58/328229458.db2.gz SAUGVLLFJZWYLL-YPMHNXCESA-N 0 3 258.321 2.539 20 30 CFEDHN CC(C)(C)CCN1CCN(CCCSCC#N)CC1 ZINC000074982083 328239821 /nfs/dbraw/zinc/23/98/21/328239821.db2.gz UOZPVNOJASFBQK-UHFFFAOYSA-N 0 3 283.485 2.687 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OC)c(OCC)c1 ZINC000321106691 329260394 /nfs/dbraw/zinc/26/03/94/329260394.db2.gz NMKQTJSGMMKMHN-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN CC#CCCCC(=O)NCC(C)(C)N1CCCCC1 ZINC000185034575 329265040 /nfs/dbraw/zinc/26/50/40/329265040.db2.gz URCWXSLIRODWMD-UHFFFAOYSA-N 0 3 264.413 2.561 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cc(F)ncc2F)C1 ZINC000294912436 328283787 /nfs/dbraw/zinc/28/37/87/328283787.db2.gz AGUJUKJHKNOZPA-ONGXEEELSA-N 0 3 251.280 2.532 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085535885 782090488 /nfs/dbraw/zinc/09/04/88/782090488.db2.gz RBHAQFFLHAHGKC-WCVJEAGWSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)[C@H](CC(=O)N1CCCN(C(C)(C)C)CC1)OCC ZINC000534481536 328304184 /nfs/dbraw/zinc/30/41/84/328304184.db2.gz BKZSRSUHBVLPEO-HNNXBMFYSA-N 0 3 296.455 2.691 20 30 CFEDHN C[C@@H]1CCC[C@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000572037788 322604938 /nfs/dbraw/zinc/60/49/38/322604938.db2.gz IABRMCOWWFUUHU-ZIAGYGMSSA-N 0 3 297.406 2.907 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N(CC)CC(=C)C ZINC000121039170 328364932 /nfs/dbraw/zinc/36/49/32/328364932.db2.gz BOWJUOUIZNZTRQ-CQSZACIVSA-N 0 3 252.402 2.698 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc2nc(C)sc2c1 ZINC000341434371 328410072 /nfs/dbraw/zinc/41/00/72/328410072.db2.gz QDMSTSJFBIRGJF-LBPRGKRZSA-N 0 3 262.378 2.631 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(OC)cc1Cl ZINC000341269501 328405963 /nfs/dbraw/zinc/40/59/63/328405963.db2.gz CSLRLRGXROBDNF-LLVKDONJSA-N 0 3 269.772 2.623 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(F)cccc1Cl ZINC000341322876 328406417 /nfs/dbraw/zinc/40/64/17/328406417.db2.gz OWUALDUSIWWGRY-JTQLQIEISA-N 0 3 257.736 2.753 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(N3CCNC(C)(C)C3)c2c1 ZINC000578983283 324908303 /nfs/dbraw/zinc/90/83/03/324908303.db2.gz YOGWIVZBBCNSIU-UHFFFAOYSA-N 0 3 294.402 2.912 20 30 CFEDHN Cc1ccc(CCNCc2ccc(C#N)c(F)c2)o1 ZINC000579943056 324992659 /nfs/dbraw/zinc/99/26/59/324992659.db2.gz RJPAUZYTAZUELD-UHFFFAOYSA-N 0 3 258.296 2.931 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)cc1 ZINC000583625781 325300066 /nfs/dbraw/zinc/30/00/66/325300066.db2.gz LTVAMQZOOCPENG-KDOFPFPSSA-N 0 3 280.371 2.812 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186701526 326796680 /nfs/dbraw/zinc/79/66/80/326796680.db2.gz HONOGXLFVSPFFG-SWLSCSKDSA-N 0 3 275.392 2.859 20 30 CFEDHN N#CCc1cccc(NC(=O)C2CN(C3CCCCC3)C2)c1 ZINC000556719298 326960656 /nfs/dbraw/zinc/96/06/56/326960656.db2.gz DOEGRJRBAGVHMM-UHFFFAOYSA-N 0 3 297.402 2.956 20 30 CFEDHN N#CCC1CCN(C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000558096759 327073528 /nfs/dbraw/zinc/07/35/28/327073528.db2.gz JQFGFGQZJXCPOB-MRXNPFEDSA-N 0 3 292.810 2.869 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000090883760 327101542 /nfs/dbraw/zinc/10/15/42/327101542.db2.gz QTBJOJZDKHGIGR-AWEZNQCLSA-N 0 3 262.397 2.996 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000573480136 327182948 /nfs/dbraw/zinc/18/29/48/327182948.db2.gz ACLURLHELNQSNK-JONQDZQNSA-N 0 3 268.360 2.674 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000151589186 327212950 /nfs/dbraw/zinc/21/29/50/327212950.db2.gz ZTHWDQJVUCFYFZ-OAHLLOKOSA-N 0 3 288.391 2.699 20 30 CFEDHN C[C@@H](C(=O)Nc1ccc(CC#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000101635108 327221131 /nfs/dbraw/zinc/22/11/31/327221131.db2.gz DGSWMEVMJNRPNI-MJBXVCDLSA-N 0 3 285.391 2.952 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000115278955 327231725 /nfs/dbraw/zinc/23/17/25/327231725.db2.gz KYZXRZRNXWPHTA-CVEARBPZSA-N 0 3 290.451 2.664 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000104966460 327240114 /nfs/dbraw/zinc/24/01/14/327240114.db2.gz YNENPJHMNGGZQV-VBQJREDUSA-N 0 3 293.455 2.940 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2Cn2cccn2)C1 ZINC000583360764 327319683 /nfs/dbraw/zinc/31/96/83/327319683.db2.gz VASTXOGUTPJJTR-RHSMWYFYSA-N 0 3 280.375 2.713 20 30 CFEDHN CSCC1CCC(NC[C@@H](C#N)CCC#N)CC1 ZINC000561234972 327377991 /nfs/dbraw/zinc/37/79/91/327377991.db2.gz QBKMSKZWCMEXPA-ROKHWSDSSA-N 0 3 265.426 2.941 20 30 CFEDHN CSCC1CCC(NC[C@H](C#N)CCC#N)CC1 ZINC000561234966 327378040 /nfs/dbraw/zinc/37/80/40/327378040.db2.gz QBKMSKZWCMEXPA-MOKVOYLWSA-N 0 3 265.426 2.941 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000562524486 327487406 /nfs/dbraw/zinc/48/74/06/327487406.db2.gz WUYRQDFMCURCSI-CMPLNLGQSA-N 0 3 299.296 2.805 20 30 CFEDHN CC(C)(C)[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000527377827 328689766 /nfs/dbraw/zinc/68/97/66/328689766.db2.gz MNKSDXIXQHWZMS-INIZCTEOSA-N 0 3 299.418 2.926 20 30 CFEDHN CC#CCCNCc1ccc(Oc2cnccn2)cc1 ZINC000360968839 328913534 /nfs/dbraw/zinc/91/35/34/328913534.db2.gz MXTQYQJXXUDERR-UHFFFAOYSA-N 0 3 267.332 2.772 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)cc1 ZINC000361151845 328915228 /nfs/dbraw/zinc/91/52/28/328915228.db2.gz HNHQMWGQDXJPHO-ZACQAIPSSA-N 0 3 291.391 2.533 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@]2(C1)CCCOC2 ZINC000375276192 329002423 /nfs/dbraw/zinc/00/24/23/329002423.db2.gz FZSHZTKCBJNBDR-KRWDZBQOSA-N 0 3 255.361 2.541 20 30 CFEDHN C#CCCCCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000378399798 329048941 /nfs/dbraw/zinc/04/89/41/329048941.db2.gz VKJVEXCSGGTYOG-GOSISDBHSA-N 0 3 298.430 2.913 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C2CCCC2)CC1 ZINC000172187642 329082091 /nfs/dbraw/zinc/08/20/91/329082091.db2.gz XLTRSTWRMYBWAP-AWEZNQCLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000174259702 329156037 /nfs/dbraw/zinc/15/60/37/329156037.db2.gz RKFYYKPLSYAYSL-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000175385911 329165285 /nfs/dbraw/zinc/16/52/85/329165285.db2.gz OKSBGVRPFYJPPQ-INIZCTEOSA-N 0 3 274.408 2.632 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2(CC)CCC2)CC1 ZINC000176055196 329173565 /nfs/dbraw/zinc/17/35/65/329173565.db2.gz NHGKYYXNHXGBGP-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCCO[C@H](C)C2)cc1 ZINC000179396652 329205233 /nfs/dbraw/zinc/20/52/33/329205233.db2.gz NDDZCGBGYYELQB-UONOGXRCSA-N 0 3 274.364 2.588 20 30 CFEDHN CC1(O)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000179723705 329207924 /nfs/dbraw/zinc/20/79/24/329207924.db2.gz IUMJCKURFPCBRW-UHFFFAOYSA-N 0 3 288.391 2.716 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1ccccc1Cl ZINC000181246291 329227352 /nfs/dbraw/zinc/22/73/52/329227352.db2.gz HSEROTLRMQZYQX-GFCCVEGCSA-N 0 3 269.772 2.588 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccc(C)cn2)CC1 ZINC000181551766 329234362 /nfs/dbraw/zinc/23/43/62/329234362.db2.gz ZKGQPQLVNUILMC-OAHLLOKOSA-N 0 3 290.407 2.560 20 30 CFEDHN C=CCN1CCC(Nc2noc(-c3ccccc3)n2)CC1 ZINC000184566728 329259921 /nfs/dbraw/zinc/25/99/21/329259921.db2.gz PONXFVKGTOUQLO-UHFFFAOYSA-N 0 3 284.363 2.799 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000185296720 329270398 /nfs/dbraw/zinc/27/03/98/329270398.db2.gz WOLWMICTRXFROH-GJZGRUSLSA-N 0 3 266.429 2.825 20 30 CFEDHN CN(Cc1ccccc1)[C@H](CNC(=O)C(C)(C)C#N)C1CC1 ZINC000185343269 329270833 /nfs/dbraw/zinc/27/08/33/329270833.db2.gz CQOMIQPWUWBOCZ-MRXNPFEDSA-N 0 3 299.418 2.563 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@H]1CCc2ccccc2C1 ZINC000583043121 329303090 /nfs/dbraw/zinc/30/30/90/329303090.db2.gz BSTOVGXCWWISAD-BBRMVZONSA-N 0 3 253.349 2.577 20 30 CFEDHN CO[C@@H](CN1CCC(CC#N)CC1)c1ccccc1 ZINC000397111859 329343559 /nfs/dbraw/zinc/34/35/59/329343559.db2.gz CRLXINPFYBWQNS-INIZCTEOSA-N 0 3 258.365 3.000 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)CCN(C)C1CC1 ZINC000186746667 329348250 /nfs/dbraw/zinc/34/82/50/329348250.db2.gz VSWRGNVLOJXDQY-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(F)ccc1F ZINC000321448567 329358209 /nfs/dbraw/zinc/35/82/09/329358209.db2.gz NPHQDCKXAAYHFN-CMPLNLGQSA-N 0 3 255.308 2.943 20 30 CFEDHN CCOC(=O)[C@H]1CC[C@H](N[C@@H](CC)CC#N)C[C@H]1C ZINC000133195430 329651274 /nfs/dbraw/zinc/65/12/74/329651274.db2.gz QYPZVCLICVWPEN-RFGFWPKPSA-N 0 3 266.385 2.636 20 30 CFEDHN Cc1ccccc1OCCCN1CCC(C#N)CC1 ZINC000057872977 329678166 /nfs/dbraw/zinc/67/81/66/329678166.db2.gz LMEVHAHXTZUIJY-UHFFFAOYSA-N 0 3 258.365 3.000 20 30 CFEDHN C=CC(C)(C)CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419222727 329712212 /nfs/dbraw/zinc/71/22/12/329712212.db2.gz CAHQZJHHCQGSRG-CYBMUJFWSA-N 0 3 280.799 2.538 20 30 CFEDHN COC1(C(F)(F)F)CCN(CCCCC#N)CC1 ZINC000419337431 329718021 /nfs/dbraw/zinc/71/80/21/329718021.db2.gz WESCYPBRTKVFHM-UHFFFAOYSA-N 0 3 264.291 2.724 20 30 CFEDHN C=C(CC)CN1CCC(OC)(C(F)(F)F)CC1 ZINC000419359054 329720112 /nfs/dbraw/zinc/72/01/12/329720112.db2.gz VNYAJUIXKUFEOM-UHFFFAOYSA-N 0 3 251.292 2.996 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccnn2C2CCCC2)C1 ZINC000520794846 329773724 /nfs/dbraw/zinc/77/37/24/329773724.db2.gz UYIBEDOTTFBPHE-OLZOCXBDSA-N 0 3 258.369 2.780 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000074206476 329863494 /nfs/dbraw/zinc/86/34/94/329863494.db2.gz SJMOTYUYNJNQHK-MNOVXSKESA-N 0 3 298.333 2.629 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccncc1Cl ZINC000421855644 330089075 /nfs/dbraw/zinc/08/90/75/330089075.db2.gz MVKSIPFXYKTTTP-MNOVXSKESA-N 0 3 254.761 2.713 20 30 CFEDHN C=CCN1CCC(Nc2cc(Br)ccn2)CC1 ZINC000274797903 330107746 /nfs/dbraw/zinc/10/77/46/330107746.db2.gz JETFZYVRUQHMFE-UHFFFAOYSA-N 0 3 296.212 2.906 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CC(F)F)c1ccccc1 ZINC000422027843 330117502 /nfs/dbraw/zinc/11/75/02/330117502.db2.gz RGFBXCNMXIQVNT-GXSJLCMTSA-N 0 3 252.264 2.659 20 30 CFEDHN C=CCC[C@@H](CC)Nc1ccc(N2CCNCC2)cn1 ZINC000423224820 330180163 /nfs/dbraw/zinc/18/01/63/330180163.db2.gz CTWRYVOWDFNQGP-CQSZACIVSA-N 0 3 274.412 2.648 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000081493735 330212205 /nfs/dbraw/zinc/21/22/05/330212205.db2.gz CHNBCVCORQLYLQ-KBPBESRZSA-N 0 3 293.455 2.761 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1Cl ZINC000424073919 330220541 /nfs/dbraw/zinc/22/05/41/330220541.db2.gz GCBCMZUEPVLRCB-LBPRGKRZSA-N 0 3 265.744 2.608 20 30 CFEDHN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424079641 330221771 /nfs/dbraw/zinc/22/17/71/330221771.db2.gz RMFMRQASKFTBOJ-PBHICJAKSA-N 0 3 299.418 2.835 20 30 CFEDHN CCC[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424111186 330239635 /nfs/dbraw/zinc/23/96/35/330239635.db2.gz GALKVBSLSJBSKR-CVEARBPZSA-N 0 3 287.407 2.535 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000424111591 330240116 /nfs/dbraw/zinc/24/01/16/330240116.db2.gz AVKYIJVRCJEOMB-HZPDHXFCSA-N 0 3 285.391 2.665 20 30 CFEDHN Cc1ccc(C[C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)cc1 ZINC000424114884 330242940 /nfs/dbraw/zinc/24/29/40/330242940.db2.gz SQEYGBYSKZYPHN-DLBZAZTESA-N 0 3 299.418 2.550 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000424117467 330243645 /nfs/dbraw/zinc/24/36/45/330243645.db2.gz YXEWIXHXVFZWQA-IAGOWNOFSA-N 0 3 299.418 2.631 20 30 CFEDHN CC(C)C[C@@H]1CCCCCN1C(=O)[C@H](N)CCCC#N ZINC000424120109 330247915 /nfs/dbraw/zinc/24/79/15/330247915.db2.gz GQUIGZRRGAFUMI-LSDHHAIUSA-N 0 3 279.428 2.825 20 30 CFEDHN CC(C)(C)C1CCC(CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424126225 330258964 /nfs/dbraw/zinc/25/89/64/330258964.db2.gz OWCJGMJEFAEJMM-NRXISQOPSA-N 0 3 293.455 2.976 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCC#N)[C@@H](C)C1CCCCC1 ZINC000424129445 330260152 /nfs/dbraw/zinc/26/01/52/330260152.db2.gz SXWSVGYKOGWSOS-VNHYZAJKSA-N 0 3 279.428 2.729 20 30 CFEDHN CC(C)(NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424133619 330266448 /nfs/dbraw/zinc/26/64/48/330266448.db2.gz XORUMLVUEUAWFH-CYBMUJFWSA-N 0 3 293.798 2.712 20 30 CFEDHN N#CCCCOc1cccc(CNCC23CC(C2)CO3)c1 ZINC000527790156 330283472 /nfs/dbraw/zinc/28/34/72/330283472.db2.gz SFGHKIKAULTVEJ-UHFFFAOYSA-N 0 3 286.375 2.638 20 30 CFEDHN CC1(C)CC(NC(=O)[C@H](N)CCCC#N)CC(C)(C)C1 ZINC000424167341 330309809 /nfs/dbraw/zinc/30/98/09/330309809.db2.gz DMQYQDWSVSODQB-CYBMUJFWSA-N 0 3 279.428 2.729 20 30 CFEDHN C[C@@H](CCNC(=O)[C@@H](N)CCCC#N)CC(C)(C)C ZINC000424187003 330320887 /nfs/dbraw/zinc/32/08/87/330320887.db2.gz JLTWOGIVXMHTRL-STQMWFEESA-N 0 3 267.417 2.586 20 30 CFEDHN C=C(C)CN(CC)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528344847 330321151 /nfs/dbraw/zinc/32/11/51/330321151.db2.gz GBFYVSHXPGJPEU-OAHLLOKOSA-N 0 3 264.413 2.818 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@H](C)C[C@@H]2CC)nn1 ZINC000424290936 330334734 /nfs/dbraw/zinc/33/47/34/330334734.db2.gz CQWLHMITGQOOLN-KCQAQPDRSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCC23CCCC3)nn1 ZINC000424290867 330334785 /nfs/dbraw/zinc/33/47/85/330334785.db2.gz CHOGQDIZMZFAQC-CQSZACIVSA-N 0 3 260.385 2.667 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)[C@@H](C)CCC)nn1 ZINC000424296392 330336096 /nfs/dbraw/zinc/33/60/96/330336096.db2.gz OILSDJHUKLLIRT-JSGCOSHPSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](CCC)[C@@H]2CC2(C)C)nn1 ZINC000424301348 330337907 /nfs/dbraw/zinc/33/79/07/330337907.db2.gz ZTQPJUVTXGYBMC-UONOGXRCSA-N 0 3 262.401 2.769 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000424320772 330340151 /nfs/dbraw/zinc/34/01/51/330340151.db2.gz GKHURFILPIVMRH-HEHGZKQESA-N 0 3 285.391 2.731 20 30 CFEDHN COc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1O ZINC000424335476 330343341 /nfs/dbraw/zinc/34/33/41/330343341.db2.gz WRZHBTOVPNKPEG-GMXVVIOVSA-N 0 3 260.337 2.744 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000424535124 330369714 /nfs/dbraw/zinc/36/97/14/330369714.db2.gz DVLQANJNQWGZSE-UHFFFAOYSA-N 0 3 274.408 2.967 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2(CC)CCC2)CC1 ZINC000084157962 330484944 /nfs/dbraw/zinc/48/49/44/330484944.db2.gz GZRAIKKEJRVQSY-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN Oc1cccc2c1C[C@@H](NCC#Cc1ccccc1)C2 ZINC000429301925 330543416 /nfs/dbraw/zinc/54/34/16/330543416.db2.gz PETRYWGRPYAMDG-INIZCTEOSA-N 0 3 263.340 2.501 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000442703764 330779977 /nfs/dbraw/zinc/77/99/77/330779977.db2.gz BDBCNSMVFMGKJH-MRVWCRGKSA-N 0 3 263.410 2.633 20 30 CFEDHN Cc1cc(C)n(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cn2)n1 ZINC000442709988 330780200 /nfs/dbraw/zinc/78/02/00/330780200.db2.gz PGJSTVPAFQZKOB-GOEBONIOSA-N 0 3 295.390 2.666 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc3c(c2)OCCCO3)C1 ZINC000442796538 330784386 /nfs/dbraw/zinc/78/43/86/330784386.db2.gz UAQIEAVAUCCIDD-OCCSQVGLSA-N 0 3 272.348 2.630 20 30 CFEDHN N#C[C@H]1CC[C@@H](Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000442850671 330786870 /nfs/dbraw/zinc/78/68/70/330786870.db2.gz DNEBGINADXFKKW-GOEBONIOSA-N 0 3 299.418 2.747 20 30 CFEDHN COc1ccc(C2(N[C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000442861710 330787998 /nfs/dbraw/zinc/78/79/98/330787998.db2.gz DXAFLHKQZQWSIH-GXTWGEPZSA-N 0 3 256.349 2.966 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC000446063823 330843633 /nfs/dbraw/zinc/84/36/33/330843633.db2.gz SODWBOYFJJJTCI-UHFFFAOYSA-N 0 3 299.418 2.729 20 30 CFEDHN C=CCC1(C(=O)NC2CCN(CC)CC2)CCCC1 ZINC000449191330 330905091 /nfs/dbraw/zinc/90/50/91/330905091.db2.gz XGBZRTVAGMVWEL-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(Cl)c1F ZINC000449517448 330933061 /nfs/dbraw/zinc/93/30/61/330933061.db2.gz FSWPHHGYOMUYJK-NEPJUHHUSA-N 0 3 255.720 2.912 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2ccc(F)cc2[nH]1 ZINC000449519805 330933375 /nfs/dbraw/zinc/93/33/75/330933375.db2.gz NMGAKRHYLMGJAX-HIFRSBDPSA-N 0 3 260.312 2.740 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc2cccnc21 ZINC000449520501 330933519 /nfs/dbraw/zinc/93/35/19/330933519.db2.gz PYNMVCCYNYMZIC-CABCVRRESA-N 0 3 254.333 2.668 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc2c(c1)OCCCCO2 ZINC000449695460 330944236 /nfs/dbraw/zinc/94/42/36/330944236.db2.gz FCUMZPSLBCYFSL-OAHLLOKOSA-N 0 3 291.391 2.655 20 30 CFEDHN C=CCC1(C(=O)NC[C@@]2(N(C)C)CCSC2)CCCC1 ZINC000450039351 330959407 /nfs/dbraw/zinc/95/94/07/330959407.db2.gz FKHZIDDYSMFHTQ-INIZCTEOSA-N 0 3 296.480 2.676 20 30 CFEDHN C=CC[C@@H](CO)Nc1ccnc2ccc(OC(C)C)cc21 ZINC000450443402 330980009 /nfs/dbraw/zinc/98/00/09/330980009.db2.gz VXXFXILOWFNKDA-ZDUSSCGKSA-N 0 3 286.375 2.793 20 30 CFEDHN N#CC1(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCC1 ZINC000450904629 331006142 /nfs/dbraw/zinc/00/61/42/331006142.db2.gz MLEJYKIUQORXBO-RRFJBIMHSA-N 0 3 262.397 2.696 20 30 CFEDHN CC[C@H]1[C@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451250612 331021960 /nfs/dbraw/zinc/02/19/60/331021960.db2.gz DHXVOOJLPNRGEA-HOCLYGCPSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCCCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000451293302 331023488 /nfs/dbraw/zinc/02/34/88/331023488.db2.gz GWLDPRYUKVDMQM-HNNXBMFYSA-N 0 3 264.413 2.866 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CCC1 ZINC000451355973 331025426 /nfs/dbraw/zinc/02/54/26/331025426.db2.gz WJVBSEWBNICHFK-KFWWJZLASA-N 0 3 262.397 2.696 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(C(C)=O)ccc1OCC ZINC000451600987 331035812 /nfs/dbraw/zinc/03/58/12/331035812.db2.gz SWBGGYDINNFXHT-CVEARBPZSA-N 0 3 289.375 2.721 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(F)(F)F)cn1 ZINC000451680519 331038881 /nfs/dbraw/zinc/03/88/81/331038881.db2.gz JVHDQVBBCYSPNR-OLZOCXBDSA-N 0 3 286.297 2.924 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1CC#Cc1ccc(F)cc1 ZINC000451743278 331040915 /nfs/dbraw/zinc/04/09/15/331040915.db2.gz TVFORYAMEOAEHL-QGZVFWFLSA-N 0 3 274.383 2.593 20 30 CFEDHN N#CCCCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452062910 331052575 /nfs/dbraw/zinc/05/25/75/331052575.db2.gz UXBGUVZOGUHSRQ-CYBMUJFWSA-N 0 3 264.394 2.845 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452062647 331052599 /nfs/dbraw/zinc/05/25/99/331052599.db2.gz UERLZSKOBLFKMX-ZFWWWQNUSA-N 0 3 295.448 2.869 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(C)c1 ZINC000452085648 331053452 /nfs/dbraw/zinc/05/34/52/331053452.db2.gz WKTWNYSLQGVGRH-OAHLLOKOSA-N 0 3 272.392 2.846 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452170279 331057037 /nfs/dbraw/zinc/05/70/37/331057037.db2.gz IETHOBJSSDMSRH-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1CCCN1CCCO)c1ccco1 ZINC000453260419 331108630 /nfs/dbraw/zinc/10/86/30/331108630.db2.gz JGFBKVNOATVMLY-JKSUJKDBSA-N 0 3 292.423 2.723 20 30 CFEDHN C=CC(C)(C)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000453308325 331114318 /nfs/dbraw/zinc/11/43/18/331114318.db2.gz NHVCSUUWYNTOBS-ZDUSSCGKSA-N 0 3 256.353 2.696 20 30 CFEDHN C=CC(C)(C)C[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000453308325 331114319 /nfs/dbraw/zinc/11/43/19/331114319.db2.gz NHVCSUUWYNTOBS-ZDUSSCGKSA-N 0 3 256.353 2.696 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)[C@H](OC)c1ccccc1 ZINC000453338097 331118725 /nfs/dbraw/zinc/11/87/25/331118725.db2.gz ARXJNSZXHPYWMQ-UKMLZYKCSA-N 0 3 261.365 2.696 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccccc1N(C)C ZINC000453345752 331119897 /nfs/dbraw/zinc/11/98/97/331119897.db2.gz GHWCIMUPJHZRRK-XPKDYRNWSA-N 0 3 260.381 2.747 20 30 CFEDHN C=C(CC)CN[C@@H](CN1CCOCC1)c1ccccc1C ZINC000453349191 331120320 /nfs/dbraw/zinc/12/03/20/331120320.db2.gz HKCIOGLLUZSJPE-SFHVURJKSA-N 0 3 288.435 2.924 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)cn1 ZINC000453356630 331121726 /nfs/dbraw/zinc/12/17/26/331121726.db2.gz LZIKCZRQQANCBC-BIMULSAOSA-N 0 3 252.745 2.729 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000453356701 331121762 /nfs/dbraw/zinc/12/17/62/331121762.db2.gz NEMVTGLHVUOCRO-JQWIXIFHSA-N 0 3 284.787 2.721 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H]1CCCc2nc(CC)sc21 ZINC000453364145 331123033 /nfs/dbraw/zinc/12/30/33/331123033.db2.gz QZAPFJBNADZSAZ-RYUDHWBXSA-N 0 3 280.437 3.000 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000453366582 331123503 /nfs/dbraw/zinc/12/35/03/331123503.db2.gz RPFHWOAYTDBYCI-OAGGEKHMSA-N 0 3 259.349 2.703 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000453366585 331123519 /nfs/dbraw/zinc/12/35/19/331123519.db2.gz RPFHWOAYTDBYCI-XHSDSOJGSA-N 0 3 259.349 2.703 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cnn(C(C)C)c1C ZINC000453378422 331125333 /nfs/dbraw/zinc/12/53/33/331125333.db2.gz YFBPWOKUHBNOIE-GXTWGEPZSA-N 0 3 265.401 2.750 20 30 CFEDHN C=C(CC)CN[C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000453380667 331125796 /nfs/dbraw/zinc/12/57/96/331125796.db2.gz XAOHVNALOYHRBE-CYBMUJFWSA-N 0 3 296.436 2.568 20 30 CFEDHN C=CCc1cc(CNC[C@H]2CC[C@@H](C)O2)cc(OC)c1O ZINC000453633253 331137277 /nfs/dbraw/zinc/13/72/77/331137277.db2.gz RHAKHJNRLMUJAC-IUODEOHRSA-N 0 3 291.391 2.786 20 30 CFEDHN C=C(C)CCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000454301404 331143700 /nfs/dbraw/zinc/14/37/00/331143700.db2.gz KCWSSUMROKZMFX-UHFFFAOYSA-N 0 3 261.369 2.836 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000454522381 331147829 /nfs/dbraw/zinc/14/78/29/331147829.db2.gz ZDOFAWDTFDTLFU-ZIAGYGMSSA-N 0 3 281.444 2.618 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000454646772 331150427 /nfs/dbraw/zinc/15/04/27/331150427.db2.gz QPBWKYHMRNWWEW-ZIAGYGMSSA-N 0 3 281.444 2.618 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000455193780 331162545 /nfs/dbraw/zinc/16/25/45/331162545.db2.gz NJOJNXZVFVNLFP-HNNXBMFYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000455317339 331165818 /nfs/dbraw/zinc/16/58/18/331165818.db2.gz XCMSWFIZMFLBNO-OAHLLOKOSA-N 0 3 275.396 2.555 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C)nc2C2CC2)CC1 ZINC000455484384 331170771 /nfs/dbraw/zinc/17/07/71/331170771.db2.gz GFTVXKDTYUTFGQ-UHFFFAOYSA-N 0 3 299.418 2.648 20 30 CFEDHN CC[C@@H]1C[C@H]1CNC(=O)C(C#N)CCc1ccccc1 ZINC000456115467 331184477 /nfs/dbraw/zinc/18/44/77/331184477.db2.gz KHRWYSZAWLRXTD-OAGGEKHMSA-N 0 3 270.376 2.921 20 30 CFEDHN CCCCN(C(=O)C(C)C#N)[C@@H]1CCCC[C@H]1OC ZINC000456200122 331186423 /nfs/dbraw/zinc/18/64/23/331186423.db2.gz VWJNARQOAAXNSG-BFHYXJOUSA-N 0 3 266.385 2.732 20 30 CFEDHN COc1cccc([C@H]2C[C@H](N(C)C(=O)C(C)C#N)C2)c1 ZINC000456928025 331208774 /nfs/dbraw/zinc/20/87/74/331208774.db2.gz UEYLOERRPFALIH-UBHSHLNASA-N 0 3 272.348 2.559 20 30 CFEDHN C=C[C@@H](CC(=O)NC(C)(C)CN(C)C)c1ccccc1 ZINC000457257400 331217407 /nfs/dbraw/zinc/21/74/07/331217407.db2.gz ZPNXASXILJZGRA-AWEZNQCLSA-N 0 3 274.408 2.803 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458623274 331254437 /nfs/dbraw/zinc/25/44/37/331254437.db2.gz QJYGHFUMEIBDKL-WBVHZDCISA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000458776994 331259627 /nfs/dbraw/zinc/25/96/27/331259627.db2.gz SFMQMKPSZQOOQS-UONOGXRCSA-N 0 3 293.411 2.974 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000458812851 331260964 /nfs/dbraw/zinc/26/09/64/331260964.db2.gz RKOONXFJLLVDNT-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C(C)CCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000458998498 331265484 /nfs/dbraw/zinc/26/54/84/331265484.db2.gz KSENNXCFIDCUPX-HNNXBMFYSA-N 0 3 279.428 2.613 20 30 CFEDHN C=C(CC)CNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000459075833 331269371 /nfs/dbraw/zinc/26/93/71/331269371.db2.gz LQMYDXOZYWLUPB-UHFFFAOYSA-N 0 3 295.452 2.788 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459588472 331289524 /nfs/dbraw/zinc/28/95/24/331289524.db2.gz XPOJWXUSJBGTGI-OLZOCXBDSA-N 0 3 297.782 2.877 20 30 CFEDHN COc1ccc(-n2cc(CNCC(C)(C)CC#N)cn2)cc1 ZINC000459736455 331296980 /nfs/dbraw/zinc/29/69/80/331296980.db2.gz UZFUITJUGFGXFU-UHFFFAOYSA-N 0 3 298.390 2.910 20 30 CFEDHN CO[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000459773081 331299993 /nfs/dbraw/zinc/29/99/93/331299993.db2.gz SJOOBVBOUIKCKG-CVEARBPZSA-N 0 3 273.351 2.724 20 30 CFEDHN C[C@H](CN(C)CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000459836780 331302386 /nfs/dbraw/zinc/30/23/86/331302386.db2.gz ZSHFBNBLBXUJHL-GFCCVEGCSA-N 0 3 268.401 2.836 20 30 CFEDHN CC#CCCN(CCC)C[C@@H]1COc2ccccc2O1 ZINC000462322451 331319635 /nfs/dbraw/zinc/31/96/35/331319635.db2.gz ACGKZQAXSIMRIJ-OAHLLOKOSA-N 0 3 273.376 2.952 20 30 CFEDHN C=CCCCCNC(=O)N(CCN(C)C)CC(C)C ZINC000474085030 331569143 /nfs/dbraw/zinc/56/91/43/331569143.db2.gz UCMFRLUFJYJOEE-UHFFFAOYSA-N 0 3 269.433 2.572 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)C1CCN(C)CC1)OCC ZINC000479565495 331737853 /nfs/dbraw/zinc/73/78/53/331737853.db2.gz RJHGWVPGYFUTGG-GOEBONIOSA-N 0 3 296.455 2.546 20 30 CFEDHN CC#CCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000483410904 331872964 /nfs/dbraw/zinc/87/29/64/331872964.db2.gz ACSUQLQVJLCALE-UHFFFAOYSA-N 0 3 293.455 2.553 20 30 CFEDHN C=CCn1cccc1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000488396264 332003889 /nfs/dbraw/zinc/00/38/89/332003889.db2.gz IWUQACHDOTVBJC-UHFFFAOYSA-N 0 3 283.375 2.988 20 30 CFEDHN C#C[C@H](CCC)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000491067801 332144601 /nfs/dbraw/zinc/14/46/01/332144601.db2.gz KIACMUQIHHOEQX-QGZVFWFLSA-N 0 3 284.403 2.814 20 30 CFEDHN CN(CC1CCN(CCCC#N)CC1)C(=O)OC(C)(C)C ZINC000491179936 332161205 /nfs/dbraw/zinc/16/12/05/332161205.db2.gz UTLHAXSHBFCDMZ-UHFFFAOYSA-N 0 3 295.427 2.869 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccccc1-c1ccnn1C ZINC000491209687 332166574 /nfs/dbraw/zinc/16/65/74/332166574.db2.gz KKJJFLJRJPLWNR-ZDUSSCGKSA-N 0 3 253.349 2.541 20 30 CFEDHN C#C[C@H](N[C@H](C)C1CCOCC1)c1ccc(F)cc1 ZINC000491275327 332178773 /nfs/dbraw/zinc/17/87/73/332178773.db2.gz CWGYVVSLNIJOIE-WBMJQRKESA-N 0 3 261.340 2.905 20 30 CFEDHN C#C[C@H](CC)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000491387117 332202714 /nfs/dbraw/zinc/20/27/14/332202714.db2.gz XGOGPDJNXUKXCH-QGZVFWFLSA-N 0 3 292.386 2.965 20 30 CFEDHN C#C[C@H](C)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000491617745 332244544 /nfs/dbraw/zinc/24/45/44/332244544.db2.gz BTAGZPKDRAWUHY-HNNXBMFYSA-N 0 3 284.403 2.766 20 30 CFEDHN C#C[C@H](C)N(C)CCCc1nc(-c2cccs2)no1 ZINC000491618824 332244907 /nfs/dbraw/zinc/24/49/07/332244907.db2.gz LQSDYCQAJNGAMK-NSHDSACASA-N 0 3 275.377 2.684 20 30 CFEDHN C#C[C@H](N[C@H](C)CC(=O)Nc1cccc(OC)c1)C(C)C ZINC000491623563 332248008 /nfs/dbraw/zinc/24/80/08/332248008.db2.gz HFPTVGRLLNFWRQ-CJNGLKHVSA-N 0 3 288.391 2.660 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCO[C@@H](CC)C2)n1 ZINC000491631810 332254506 /nfs/dbraw/zinc/25/45/06/332254506.db2.gz RROHWHHGBVWLOA-WBVHZDCISA-N 0 3 289.423 2.543 20 30 CFEDHN C#CCN(CCCC(=O)Nc1ccccc1C(C)=O)C1CC1 ZINC000491655478 332267570 /nfs/dbraw/zinc/26/75/70/332267570.db2.gz GPBCIBPPIYBYIQ-UHFFFAOYSA-N 0 3 298.386 2.706 20 30 CFEDHN C#C[C@@H](CC)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000491735586 332316184 /nfs/dbraw/zinc/31/61/84/332316184.db2.gz FVPIWCYKDIYQSJ-ZDUSSCGKSA-N 0 3 277.364 2.604 20 30 CFEDHN C#C[C@H](N[C@@H](C)CCn1cccn1)c1ccc(F)cc1 ZINC000491736071 332316388 /nfs/dbraw/zinc/31/63/88/332316388.db2.gz CZVYXJLTDFPQKY-BBRMVZONSA-N 0 3 271.339 2.765 20 30 CFEDHN C#C[C@@H](NCc1ccc(OCOCC)cc1)C(C)C ZINC000491801579 332355810 /nfs/dbraw/zinc/35/58/10/332355810.db2.gz DAIPZYZCDQWPES-MRXNPFEDSA-N 0 3 261.365 2.807 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000491813320 332365154 /nfs/dbraw/zinc/36/51/54/332365154.db2.gz AJDGYHZXAMSUNL-NSHDSACASA-N 0 3 294.782 2.631 20 30 CFEDHN C#C[C@H](C)N(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000491814627 332366019 /nfs/dbraw/zinc/36/60/19/332366019.db2.gz SJYFHJWMEWYJFI-SUMWQHHRSA-N 0 3 295.386 2.503 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/C(=C\C)CC)CC1 ZINC000492158985 332385188 /nfs/dbraw/zinc/38/51/88/332385188.db2.gz XWBDQMASSHBBBC-JBEPJTDQSA-N 0 3 262.397 2.666 20 30 CFEDHN C=CCCc1ccccc1NC(=O)/C=C/CN(C)C ZINC000493014318 332422911 /nfs/dbraw/zinc/42/29/11/332422911.db2.gz CVQLTCOJNRWKPW-XYOKQWHBSA-N 0 3 258.365 2.862 20 30 CFEDHN C[C@@]1(CO)CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000493637329 332448027 /nfs/dbraw/zinc/44/80/27/332448027.db2.gz WZLBHTMPIPZYPH-CVEARBPZSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000494593003 332479068 /nfs/dbraw/zinc/47/90/68/332479068.db2.gz VJRFVLUMFVZIFY-IUODEOHRSA-N 0 3 283.799 2.802 20 30 CFEDHN N#CCCn1cc(CN[C@@H]2CC23CC3)c(-c2ccncc2)n1 ZINC000575741126 335110667 /nfs/dbraw/zinc/11/06/67/335110667.db2.gz SWZNSXSCUALCGB-OAHLLOKOSA-N 0 3 293.374 2.501 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495051605 332501659 /nfs/dbraw/zinc/50/16/59/332501659.db2.gz OHJRMBJOOOGMJV-CQSZACIVSA-N 0 3 290.407 2.632 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCC2(C#N)CC2)CC1 ZINC000495957045 332534539 /nfs/dbraw/zinc/53/45/39/332534539.db2.gz KJORSJQOBWDEEY-CYBMUJFWSA-N 0 3 293.411 2.669 20 30 CFEDHN OCC1(NCC#Cc2ccccc2Cl)CCCC1 ZINC000305243824 332988173 /nfs/dbraw/zinc/98/81/73/332988173.db2.gz SDRMSFJZTDVDPZ-UHFFFAOYSA-N 0 3 263.768 2.586 20 30 CFEDHN CCOC(=O)N[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174821416 333007933 /nfs/dbraw/zinc/00/79/33/333007933.db2.gz JHZKQSNSOZMGIW-ZDUSSCGKSA-N 0 3 281.400 2.527 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175158618 333015986 /nfs/dbraw/zinc/01/59/86/333015986.db2.gz HSWBAKMQYQAKSK-MRXNPFEDSA-N 0 3 272.392 2.847 20 30 CFEDHN Cc1c(Br)cccc1CNC(=O)C(C)C#N ZINC000516785255 333082559 /nfs/dbraw/zinc/08/25/59/333082559.db2.gz VKIULKYRAHMCQS-MRVPVSSYSA-N 0 3 281.153 2.533 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CCC2)CC1 ZINC000088523828 333089759 /nfs/dbraw/zinc/08/97/59/333089759.db2.gz WJQDRPBEBYGRLA-QGZVFWFLSA-N 0 3 269.392 2.669 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000517387746 333098500 /nfs/dbraw/zinc/09/85/00/333098500.db2.gz NKKDJDIWWLQXKT-SJLPKXTDSA-N 0 3 286.419 2.932 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCCC[C@H]1CC ZINC000185554887 333143702 /nfs/dbraw/zinc/14/37/02/333143702.db2.gz JZSAKCOQQKEBJS-LSDHHAIUSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000185759971 333148268 /nfs/dbraw/zinc/14/82/68/333148268.db2.gz CETKIUYXLCJJAB-OAHLLOKOSA-N 0 3 296.455 2.594 20 30 CFEDHN CN1CCN(CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000219400465 333148670 /nfs/dbraw/zinc/14/86/70/333148670.db2.gz CTGUVTQSYYQJOB-MRXNPFEDSA-N 0 3 257.381 2.669 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000190490571 333207542 /nfs/dbraw/zinc/20/75/42/333207542.db2.gz ZYQGGIAJFXHMBD-HIFRSBDPSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@](CO)(NCC#Cc1ccccc1)C1CCCCC1 ZINC000192037099 333228761 /nfs/dbraw/zinc/22/87/61/333228761.db2.gz HWNZLVXTYCJEFZ-GOSISDBHSA-N 0 3 271.404 2.959 20 30 CFEDHN C=C(C)CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192154475 333231112 /nfs/dbraw/zinc/23/11/12/333231112.db2.gz ZRTITPJTCRLTIX-ZFWWWQNUSA-N 0 3 278.783 2.778 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000227834393 333289194 /nfs/dbraw/zinc/28/91/94/333289194.db2.gz NVFMCUBCHRWGTL-INIZCTEOSA-N 0 3 271.408 2.915 20 30 CFEDHN CC1(C)[C@H](C(F)(F)F)CCN1CCOCCC#N ZINC000339118937 335141713 /nfs/dbraw/zinc/14/17/13/335141713.db2.gz NYQQUQXVTBLJMW-SNVBAGLBSA-N 0 3 264.291 2.579 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](OC)C1CC1 ZINC000339528561 335146468 /nfs/dbraw/zinc/14/64/68/335146468.db2.gz WXNOXDIMPLRSKU-INIZCTEOSA-N 0 3 261.365 2.766 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc3ncccc32)CC1 ZINC000067705100 333642399 /nfs/dbraw/zinc/64/23/99/333642399.db2.gz YKFIDYPVHOKNOD-UHFFFAOYSA-N 0 3 293.370 2.519 20 30 CFEDHN CC(C)N(C(=O)[C@H](C)N1CCC(CC#N)CC1)C(C)C ZINC000541024392 333759735 /nfs/dbraw/zinc/75/97/35/333759735.db2.gz XTDYSTSAYQYCKU-AWEZNQCLSA-N 0 3 279.428 2.646 20 30 CFEDHN COC[C@H](NCC#Cc1ccccc1Cl)C(C)C ZINC000542524346 333830625 /nfs/dbraw/zinc/83/06/25/333830625.db2.gz WQTBNPYGLORMIQ-HNNXBMFYSA-N 0 3 265.784 2.952 20 30 CFEDHN CN(CCCSCC#N)Cc1ccc(F)cc1 ZINC000074980730 334021549 /nfs/dbraw/zinc/02/15/49/334021549.db2.gz NWBKJWOUFBUBKO-UHFFFAOYSA-N 0 3 252.358 2.904 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1nnc(C)s1)C(C)C ZINC000077487828 334106499 /nfs/dbraw/zinc/10/64/99/334106499.db2.gz LVUNMZOBXCGLCN-CYBMUJFWSA-N 0 3 280.441 2.957 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2cn3ccccc3n2)CC1 ZINC000548385176 334153498 /nfs/dbraw/zinc/15/34/98/334153498.db2.gz RFSQRIZDSKZRCC-AWEZNQCLSA-N 0 3 284.407 2.635 20 30 CFEDHN C#CCN1CCC(C(=O)NCCCCC2CCCC2)CC1 ZINC000081360276 334186798 /nfs/dbraw/zinc/18/67/98/334186798.db2.gz DCBNOPITOJIDLV-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000549535888 334196701 /nfs/dbraw/zinc/19/67/01/334196701.db2.gz JRYXQVAMFMWJDD-YDHLFZDLSA-N 0 3 281.363 2.610 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000246203451 334240417 /nfs/dbraw/zinc/24/04/17/334240417.db2.gz WIKRTWXAXNETCM-WBTNSWJXSA-N 0 3 291.439 2.694 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)C[C@@H]2CC)c1 ZINC000552134138 334293624 /nfs/dbraw/zinc/29/36/24/334293624.db2.gz WTPSEVDWLNDZQJ-INIZCTEOSA-N 0 3 274.408 2.777 20 30 CFEDHN C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1CO ZINC000248949697 334322623 /nfs/dbraw/zinc/32/26/23/334322623.db2.gz PLWHCMJBSWTSKH-DOMZBBRYSA-N 0 3 297.320 2.760 20 30 CFEDHN C=CCCC[C@@H](C)N(C)CC(=O)NCc1ccccc1 ZINC000552814795 334346213 /nfs/dbraw/zinc/34/62/13/334346213.db2.gz MZVRYOSVCCLIRL-OAHLLOKOSA-N 0 3 274.408 2.979 20 30 CFEDHN CC1(C)[C@H](O)C[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000554576097 334440334 /nfs/dbraw/zinc/44/03/34/334440334.db2.gz PXNBUMUNBRIWPO-ZIAGYGMSSA-N 0 3 297.320 2.806 20 30 CFEDHN CN(CCCNC[C@H](C#N)CCC#N)c1ccccc1F ZINC000567261650 334699048 /nfs/dbraw/zinc/69/90/48/334699048.db2.gz BPBFIZSUGXIIOJ-AWEZNQCLSA-N 0 3 288.370 2.685 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000155719715 334727931 /nfs/dbraw/zinc/72/79/31/334727931.db2.gz ASFUUCCFCFVOSI-UHFFFAOYSA-N 0 3 291.439 2.516 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000192509865 335269915 /nfs/dbraw/zinc/26/99/15/335269915.db2.gz DJSYLIJRBPWAGD-SFHVURJKSA-N 0 3 284.403 2.928 20 30 CFEDHN Cc1nc(CN)ccc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000577062657 335293800 /nfs/dbraw/zinc/29/38/00/335293800.db2.gz VOHMGRPUFVBVKY-CYBMUJFWSA-N 0 3 294.402 2.766 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN(CC=C)CC1 ZINC000180809045 335625165 /nfs/dbraw/zinc/62/51/65/335625165.db2.gz QJCNMNOMHXHZPR-CQSZACIVSA-N 0 3 279.428 2.681 20 30 CFEDHN COc1ccc(C[C@H](C)CNC[C@H](C)C#N)cc1F ZINC000185323999 335950821 /nfs/dbraw/zinc/95/08/21/335950821.db2.gz UEXYKAZVOIUOTJ-NWDGAFQWSA-N 0 3 264.344 2.762 20 30 CFEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000382017799 336079942 /nfs/dbraw/zinc/07/99/42/336079942.db2.gz WUUAQTWQFATEQL-JQWIXIFHSA-N 0 3 288.819 2.974 20 30 CFEDHN N#CCCC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000581490093 336088849 /nfs/dbraw/zinc/08/88/49/336088849.db2.gz WTSZCQZDYHPBIO-UHFFFAOYSA-N 0 3 272.348 2.931 20 30 CFEDHN C[C@H](C#N)CNC1CCC2(CC1)c1ccccc1NC2=O ZINC000581612151 336112547 /nfs/dbraw/zinc/11/25/47/336112547.db2.gz FEQXWHSHHDVXDN-SFYCDEOASA-N 0 3 283.375 2.568 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085747975 782150218 /nfs/dbraw/zinc/15/02/18/782150218.db2.gz UZNLQPLCGVBMBP-OAHLLOKOSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773430 782157113 /nfs/dbraw/zinc/15/71/13/782157113.db2.gz COUPFTPRTCFISW-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN Cc1cc(Cl)ccc1OCCCNC(=O)C(C)C#N ZINC000347066609 533792929 /nfs/dbraw/zinc/79/29/29/533792929.db2.gz KELJOVLHVAFYGU-LLVKDONJSA-N 0 3 280.755 2.693 20 30 CFEDHN COc1cc(CNC[C@H]2CCCCS2)ccc1C#N ZINC000234920663 522461206 /nfs/dbraw/zinc/46/12/06/522461206.db2.gz JYVVHRKLZOARLA-CQSZACIVSA-N 0 3 276.405 2.942 20 30 CFEDHN CC[C@@H](CCO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305810807 522509911 /nfs/dbraw/zinc/50/99/11/522509911.db2.gz JAUBJXZWACHURU-NEPJUHHUSA-N 0 3 264.344 2.757 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000347118852 534282112 /nfs/dbraw/zinc/28/21/12/534282112.db2.gz OBQMLDOJWBKZIT-MNOVXSKESA-N 0 3 264.756 2.889 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000346206770 534284316 /nfs/dbraw/zinc/28/43/16/534284316.db2.gz YTTLWUHIJOXNMD-IAQYHMDHSA-N 0 3 283.306 2.586 20 30 CFEDHN CC1CCC(CN2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000355118861 517524013 /nfs/dbraw/zinc/52/40/13/517524013.db2.gz CAPAHIBPCDVJCI-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085782061 782161553 /nfs/dbraw/zinc/16/15/53/782161553.db2.gz MDYCQOHNYDPOGN-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(C#N)c(F)c1 ZINC000192022556 520173032 /nfs/dbraw/zinc/17/30/32/520173032.db2.gz QBCKVPMUJZNPHY-UHFFFAOYSA-N 0 3 264.344 2.682 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191390164 520345588 /nfs/dbraw/zinc/34/55/88/520345588.db2.gz ZAYQLKYXCXRNPK-HUUCEWRRSA-N 0 3 275.396 2.532 20 30 CFEDHN CC1CCC(C)(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360664729 520911605 /nfs/dbraw/zinc/91/16/05/520911605.db2.gz RNZYDERLUZMJDO-CRPOECCBSA-N 0 3 299.418 2.891 20 30 CFEDHN CCC[C@H](C)C(=O)NCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000340421663 521000510 /nfs/dbraw/zinc/00/05/10/521000510.db2.gz ZWLLXOLFXVRZDK-SUMWQHHRSA-N 0 3 299.418 2.688 20 30 CFEDHN CCN1CCC(N(C)c2nccc(C#N)c2Cl)CC1 ZINC000234015917 521570368 /nfs/dbraw/zinc/57/03/68/521570368.db2.gz QLMKWHVYXPFZIR-UHFFFAOYSA-N 0 3 278.787 2.527 20 30 CFEDHN CCN1CCC[C@H]1CNc1nccc(C#N)c1Cl ZINC000233498224 521659809 /nfs/dbraw/zinc/65/98/09/521659809.db2.gz NWWRTJINAMKBEI-NSHDSACASA-N 0 3 264.760 2.503 20 30 CFEDHN CCN1CCC[C@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000311982943 521659934 /nfs/dbraw/zinc/65/99/34/521659934.db2.gz QYXVENLXCPLUJY-LBPRGKRZSA-N 0 3 278.787 2.811 20 30 CFEDHN CCCN(Cc1cccc(C#N)c1F)CC(C)(C)O ZINC000340911954 521685622 /nfs/dbraw/zinc/68/56/22/521685622.db2.gz LWQFWKUTUBVPLG-UHFFFAOYSA-N 0 3 264.344 2.680 20 30 CFEDHN C=CCCC(=O)NCCCN1CCc2ccccc2C1 ZINC000263650818 534614605 /nfs/dbraw/zinc/61/46/05/534614605.db2.gz GVDVTYYASZYSRV-UHFFFAOYSA-N 0 3 272.392 2.517 20 30 CFEDHN COc1cc(CNCCOc2ccccc2)ccc1C#N ZINC000234910207 522452815 /nfs/dbraw/zinc/45/28/15/522452815.db2.gz XUPPCZIXXUCBRF-UHFFFAOYSA-N 0 3 282.343 2.735 20 30 CFEDHN COc1cc(CNC[C@@H]2CCCCS2)ccc1C#N ZINC000234914330 522458395 /nfs/dbraw/zinc/45/83/95/522458395.db2.gz JYVVHRKLZOARLA-AWEZNQCLSA-N 0 3 276.405 2.942 20 30 CFEDHN CC[C@H](O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305852832 522803502 /nfs/dbraw/zinc/80/35/02/522803502.db2.gz VEFOEWBRSSBKQF-GWCFXTLKSA-N 0 3 250.317 2.509 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192034218 522826256 /nfs/dbraw/zinc/82/62/56/522826256.db2.gz MSLMUEUGRUPKBR-HOTGVXAUSA-N 0 3 276.355 2.823 20 30 CFEDHN CO[C@@H](C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000363716223 523411295 /nfs/dbraw/zinc/41/12/95/523411295.db2.gz XEYZKKIFLSQAPC-ZDUSSCGKSA-N 0 3 256.349 2.682 20 30 CFEDHN COCCN(Cc1ccc(C#N)o1)[C@H]1CC[C@H](C)C1 ZINC000361643434 523744289 /nfs/dbraw/zinc/74/42/89/523744289.db2.gz MLOYXGKTTYFOGY-STQMWFEESA-N 0 3 262.353 2.788 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000358193439 523815713 /nfs/dbraw/zinc/81/57/13/523815713.db2.gz QXPKUUSSWAXXOB-HOCLYGCPSA-N 0 3 276.355 2.991 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000363673722 523972140 /nfs/dbraw/zinc/97/21/40/523972140.db2.gz LRJLYCIJPTYIFK-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN C=CCCOCCN[C@@H]1CCCc2ccc(O)cc21 ZINC000231799326 534778197 /nfs/dbraw/zinc/77/81/97/534778197.db2.gz GTUVMVRIJCXRHN-MRXNPFEDSA-N 0 3 261.365 2.952 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2F)CS1 ZINC000334853013 525269853 /nfs/dbraw/zinc/26/98/53/525269853.db2.gz ILCAZNDIBJQZAK-BXKDBHETSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000229413480 525399208 /nfs/dbraw/zinc/39/92/08/525399208.db2.gz NJBDKEWYYGEZQJ-HZSPNIEDSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000334853016 525442474 /nfs/dbraw/zinc/44/24/74/525442474.db2.gz ILCAZNDIBJQZAK-SKDRFNHKSA-N 0 3 250.342 2.681 20 30 CFEDHN C[C@@H](N[C@@H](CO)Cc1ccccc1)c1cccc(C#N)c1 ZINC000063218839 525627128 /nfs/dbraw/zinc/62/71/28/525627128.db2.gz QCKGUXAXDBDURA-RDTXWAMCSA-N 0 3 280.371 2.812 20 30 CFEDHN Cc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1C#N ZINC000369106102 526104173 /nfs/dbraw/zinc/10/41/73/526104173.db2.gz DYKDKLWHSDEMBR-KRWDZBQOSA-N 0 3 297.402 2.567 20 30 CFEDHN Cc1cc(C#N)cc(N[C@@H](C)CN2CCCCC2)n1 ZINC000161000827 526187320 /nfs/dbraw/zinc/18/73/20/526187320.db2.gz QLQZSPITMWFYTD-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000336162685 526188521 /nfs/dbraw/zinc/18/85/21/526188521.db2.gz RYXOQWKSSVFZEG-UHFFFAOYSA-N 0 3 299.418 2.813 20 30 CFEDHN Cc1cnn(C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000362683860 526254402 /nfs/dbraw/zinc/25/44/02/526254402.db2.gz DLWOMIHMWDYAPS-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN C=CCN(CCC[C@@H](C)O)Cc1ccc(OC)cc1 ZINC000354847704 526275858 /nfs/dbraw/zinc/27/58/58/526275858.db2.gz CDKSGCYIYOYJGF-CQSZACIVSA-N 0 3 263.381 2.844 20 30 CFEDHN CC#CCN(Cc1ccc(OC)cc1)[C@@H](CO)C(C)C ZINC000352702049 526362974 /nfs/dbraw/zinc/36/29/74/526362974.db2.gz QHVPHRKLXIYMKI-KRWDZBQOSA-N 0 3 275.392 2.537 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000352002892 526444124 /nfs/dbraw/zinc/44/41/24/526444124.db2.gz JBDHZMZKGNIQPJ-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1F ZINC000300469851 526548262 /nfs/dbraw/zinc/54/82/62/526548262.db2.gz SWJVZWVZIMKKEY-DJIMGWMZSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCSC2)c(F)c1 ZINC000226379232 526623374 /nfs/dbraw/zinc/62/33/74/526623374.db2.gz JBGGSAAEQDEHLP-NSHDSACASA-N 0 3 250.342 2.540 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1C ZINC000115603409 526628514 /nfs/dbraw/zinc/62/85/14/526628514.db2.gz MIXJGVNVPYHQPT-ZIAGYGMSSA-N 0 3 260.381 2.645 20 30 CFEDHN CC(C)(C)[C@H]1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1O ZINC000347804210 526733323 /nfs/dbraw/zinc/73/33/23/526733323.db2.gz ZISPQJVJGUPSQJ-IRXDYDNUSA-N 0 3 286.419 2.982 20 30 CFEDHN C#CCCOc1ccc(CNC[C@H](O)c2ccccc2)cc1 ZINC000113313063 526744227 /nfs/dbraw/zinc/74/42/27/526744227.db2.gz QHBUIAVKEVZSRZ-IBGZPJMESA-N 0 3 295.382 2.912 20 30 CFEDHN N#Cc1ccnc(N[C@H]2CCN3CCCC[C@H]23)c1Cl ZINC000300264758 526762562 /nfs/dbraw/zinc/76/25/62/526762562.db2.gz FGTZCNBJOCJUIV-NWDGAFQWSA-N 0 3 276.771 2.645 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H](CO)CC1 ZINC000354688186 526931317 /nfs/dbraw/zinc/93/13/17/526931317.db2.gz GFYKOLDRKCIKPG-HNNXBMFYSA-N 0 3 275.392 2.846 20 30 CFEDHN C=CCOc1ccccc1CN1CCC(C)(O)CC1 ZINC000353687989 526932502 /nfs/dbraw/zinc/93/25/02/526932502.db2.gz NKABAKKDVMQUNX-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)C(C)(C)C ZINC000269456810 536506607 /nfs/dbraw/zinc/50/66/07/536506607.db2.gz XAROLAWAAHWWSM-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN C=CC1CCN(Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000195019074 526981033 /nfs/dbraw/zinc/98/10/33/526981033.db2.gz HYXHTPTTXFRWRG-UHFFFAOYSA-N 0 3 288.416 2.998 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](COC)c1cccc(Cl)c1 ZINC000344232273 527458976 /nfs/dbraw/zinc/45/89/76/527458976.db2.gz QSXRFGUQOZEUIE-HUUCEWRRSA-N 0 3 283.799 2.944 20 30 CFEDHN C=CCCc1ccccc1NC(=O)N[C@H](C)CN(C)C ZINC000351659200 527508492 /nfs/dbraw/zinc/50/84/92/527508492.db2.gz RLQMVEYBKXNVNS-CYBMUJFWSA-N 0 3 275.396 2.877 20 30 CFEDHN CCC1CCC([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330183278 527822976 /nfs/dbraw/zinc/82/29/76/527822976.db2.gz PTOFSYIAKUZWIQ-RUXDESIVSA-N 0 3 290.411 2.670 20 30 CFEDHN CCC1CCC(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330183278 527822978 /nfs/dbraw/zinc/82/29/78/527822978.db2.gz PTOFSYIAKUZWIQ-RUXDESIVSA-N 0 3 290.411 2.670 20 30 CFEDHN CCC[C@H](NCCCCC#N)c1nnc2ccccn21 ZINC000347616410 528217796 /nfs/dbraw/zinc/21/77/96/528217796.db2.gz LWQQNULTRZJQMU-ZDUSSCGKSA-N 0 3 271.368 2.854 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1c(C)cccc1C ZINC000355065103 528363822 /nfs/dbraw/zinc/36/38/22/528363822.db2.gz SDQUXAFDKTVARG-OAHLLOKOSA-N 0 3 287.407 2.716 20 30 CFEDHN CCCCNC(=O)CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425534160 528498039 /nfs/dbraw/zinc/49/80/39/528498039.db2.gz LNWQXEIMIPYRLW-CQSZACIVSA-N 0 3 287.407 2.857 20 30 CFEDHN CC(C)[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345795531 528597486 /nfs/dbraw/zinc/59/74/86/528597486.db2.gz UXDYMAJVLRZUNL-GOEBONIOSA-N 0 3 299.418 2.924 20 30 CFEDHN CCOc1ccccc1[C@H](CC)NC(=O)C(C)C#N ZINC000347127776 528759531 /nfs/dbraw/zinc/75/95/31/528759531.db2.gz FRGAZVAFVBPXQU-AAEUAGOBSA-N 0 3 260.337 2.812 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085801570 782167410 /nfs/dbraw/zinc/16/74/10/782167410.db2.gz WVAMUBVDDROIAO-NRXISQOPSA-N 0 3 282.403 2.624 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc2n[nH]cc2c1 ZINC000329990865 529058675 /nfs/dbraw/zinc/05/86/75/529058675.db2.gz JJXSXBOBANMYSV-CQSZACIVSA-N 0 3 286.379 2.546 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)s2)C1 ZINC000459630853 534927153 /nfs/dbraw/zinc/92/71/53/534927153.db2.gz JHUPPJWVZXGABV-PHIMTYICSA-N 0 3 250.367 2.665 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(C)c1 ZINC000449584034 535544915 /nfs/dbraw/zinc/54/49/15/535544915.db2.gz JBORIEFWEMGHHS-CVEARBPZSA-N 0 3 286.375 2.688 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)c(C)c1)[C@@H](O)C(F)(F)F ZINC000443983759 535805744 /nfs/dbraw/zinc/80/57/44/535805744.db2.gz FXPOSFZBMKOVSP-CHWSQXEVSA-N 0 3 286.297 2.658 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@@H](OC)C12CCC2 ZINC000459753197 536646044 /nfs/dbraw/zinc/64/60/44/536646044.db2.gz IVUWSLRAVMPZQI-HZPDHXFCSA-N 0 3 286.375 2.614 20 30 CFEDHN CO[C@H]([C@@H](C)NCc1ccc(C#N)c(C)c1)C1CC1 ZINC000449629581 536656677 /nfs/dbraw/zinc/65/66/77/536656677.db2.gz KUQFUYTXXYIDRI-MLGOLLRUSA-N 0 3 258.365 2.770 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC000459795427 536803137 /nfs/dbraw/zinc/80/31/37/536803137.db2.gz VGEROJQWDHQLTM-CABCVRRESA-N 0 3 256.349 2.605 20 30 CFEDHN COC(=O)[C@]12CN(Cc3ccccc3C#N)C[C@@H]1CCCC2 ZINC000342126467 536844679 /nfs/dbraw/zinc/84/46/79/536844679.db2.gz QEEFYILNUFQUHB-FUHWJXTLSA-N 0 3 298.386 2.723 20 30 CFEDHN C=CCCCN(C)Cc1cnn(CC(F)(F)F)c1 ZINC000353707428 545575712 /nfs/dbraw/zinc/57/57/12/545575712.db2.gz FKQPGHHADKBUPG-UHFFFAOYSA-N 0 3 261.291 2.843 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844723 782182187 /nfs/dbraw/zinc/18/21/87/782182187.db2.gz WAGPPRLWTMEQMI-MRXNPFEDSA-N 0 3 297.402 2.890 20 30 CFEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1sccc1C ZINC000753934891 574056067 /nfs/dbraw/zinc/05/60/67/574056067.db2.gz KYDDULMYFUDKCH-RYUDHWBXSA-N 0 3 276.409 2.641 20 30 CFEDHN COC[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000756233242 574084983 /nfs/dbraw/zinc/08/49/83/574084983.db2.gz AGQGRJFEERZVGY-WDEREUQCSA-N 0 3 272.304 2.677 20 30 CFEDHN CCCCCCN(C)CC(=O)N[C@H](C#N)C(C)(C)C ZINC000754393192 574093927 /nfs/dbraw/zinc/09/39/27/574093927.db2.gz XIBFQUCJYZAAQZ-CYBMUJFWSA-N 0 3 267.417 2.553 20 30 CFEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000728766536 574107283 /nfs/dbraw/zinc/10/72/83/574107283.db2.gz BFVKEGXHMLOHCP-IUCAKERBSA-N 0 3 296.779 2.739 20 30 CFEDHN Cc1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000754673876 574112648 /nfs/dbraw/zinc/11/26/48/574112648.db2.gz KDNLFNBQPVPHBO-XHDPSFHLSA-N 0 3 291.420 2.516 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000731211656 574113460 /nfs/dbraw/zinc/11/34/60/574113460.db2.gz SVQABBJMEYWTMC-HNNXBMFYSA-N 0 3 296.374 2.692 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](COC)C2)c1[O-] ZINC000754742230 574118119 /nfs/dbraw/zinc/11/81/19/574118119.db2.gz UIMSJLQAFOMGHK-CYBMUJFWSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](COC)C2)c1[O-] ZINC000754742230 574118121 /nfs/dbraw/zinc/11/81/21/574118121.db2.gz UIMSJLQAFOMGHK-CYBMUJFWSA-N 0 3 291.391 2.598 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@H]1CCCN1C ZINC000754863426 574125328 /nfs/dbraw/zinc/12/53/28/574125328.db2.gz BDJCPFFUSZGVRF-CQSZACIVSA-N 0 3 269.433 2.740 20 30 CFEDHN CCCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000746172732 574139209 /nfs/dbraw/zinc/13/92/09/574139209.db2.gz GHICNNHGJMUWHI-LLVKDONJSA-N 0 3 287.388 2.814 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000746674681 574161955 /nfs/dbraw/zinc/16/19/55/574161955.db2.gz OYFYYQYLHQOJJJ-JZXOWHBKSA-N 0 3 298.430 2.640 20 30 CFEDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)c([O-])c1 ZINC000746740730 574165122 /nfs/dbraw/zinc/16/51/22/574165122.db2.gz HIJGUJHUFSCYOI-UHFFFAOYSA-N 0 3 298.342 2.571 20 30 CFEDHN C=CCCC(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000738518360 574172229 /nfs/dbraw/zinc/17/22/29/574172229.db2.gz RJWINFMYMQIFHL-UHFFFAOYSA-N 0 3 260.381 2.673 20 30 CFEDHN C=C(C)[C@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000756011348 574204206 /nfs/dbraw/zinc/20/42/06/574204206.db2.gz GKVPESATPMNPNW-SMDDNHRTSA-N 0 3 291.322 2.686 20 30 CFEDHN C=C(C)[C@@H](C)OC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000756011345 574204261 /nfs/dbraw/zinc/20/42/61/574204261.db2.gz GKVPESATPMNPNW-BXUZGUMPSA-N 0 3 291.322 2.686 20 30 CFEDHN COCCON=Cc1ccc(N2CCCCC2)cc1 ZINC000748789875 574266491 /nfs/dbraw/zinc/26/64/91/574266491.db2.gz PEWYTTQDQGOKNQ-UHFFFAOYSA-N 0 3 262.353 2.674 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cc(C)ncn2)c([O-])c1 ZINC000756840670 574266673 /nfs/dbraw/zinc/26/66/73/574266673.db2.gz FLOZDTFKDUTBOZ-ZDLGFXPLSA-N 0 3 298.390 2.956 20 30 CFEDHN CCCCCCCCN1CCCC[C@@H]1C(=O)NC ZINC000740874951 574271963 /nfs/dbraw/zinc/27/19/63/574271963.db2.gz SREFCDSZBQUZDX-CQSZACIVSA-N 0 3 254.418 2.947 20 30 CFEDHN CCCCCCCN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000740876364 574272100 /nfs/dbraw/zinc/27/21/00/574272100.db2.gz RUECDROOKGWTIV-INIZCTEOSA-N 0 3 296.455 2.670 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000742374464 574279293 /nfs/dbraw/zinc/27/92/93/574279293.db2.gz YQUZUOHMPBUKMC-ZDUSSCGKSA-N 0 3 298.390 2.736 20 30 CFEDHN Cc1ccc(NC(=S)NN=C2CCN(C)[C@H](C)C2)cc1 ZINC000741456968 574290743 /nfs/dbraw/zinc/29/07/43/574290743.db2.gz LMAFAJLUSXUYOR-GFCCVEGCSA-N 0 3 290.436 2.752 20 30 CFEDHN C[C@@H]1CC(N=Nc2nc3cc(F)c(F)cc3[nH]2)CCN1C ZINC000741456596 574290768 /nfs/dbraw/zinc/29/07/68/574290768.db2.gz CLGVVDKPEWMNTE-MRVPVSSYSA-N 0 3 293.321 2.723 20 30 CFEDHN C[C@@H]1CC(N=Nc2cccc(C(F)(F)F)n2)CCN1C ZINC000741460182 574291165 /nfs/dbraw/zinc/29/11/65/574291165.db2.gz JZMNOCSLQHMLKK-SECBINFHSA-N 0 3 286.301 2.982 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(Br)cn2)CCN1C ZINC000741463448 574291324 /nfs/dbraw/zinc/29/13/24/574291324.db2.gz GGSITYBULNRCFH-SECBINFHSA-N 0 3 297.200 2.726 20 30 CFEDHN C=CCN1CCC(NCc2occc2Br)CC1 ZINC000735322531 574320883 /nfs/dbraw/zinc/32/08/83/574320883.db2.gz JOZBYQSHYPZXLC-UHFFFAOYSA-N 0 3 299.212 2.782 20 30 CFEDHN C[C@H]1C[C@@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000742412408 574329156 /nfs/dbraw/zinc/32/91/56/574329156.db2.gz QLMDUWKLUQXGOS-YUMQZZPRSA-N 0 3 270.789 2.563 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC3CC3)nc21 ZINC000735791445 574335244 /nfs/dbraw/zinc/33/52/44/574335244.db2.gz YRJPVZCAHNUBMV-NSHDSACASA-N 0 3 253.305 2.848 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC3CC3)[nH]c21 ZINC000735791445 574335246 /nfs/dbraw/zinc/33/52/46/574335246.db2.gz YRJPVZCAHNUBMV-NSHDSACASA-N 0 3 253.305 2.848 20 30 CFEDHN C#CCOc1ccc(NC(=O)[C@H](CC)N(CC)CC)cc1 ZINC000736015553 574347305 /nfs/dbraw/zinc/34/73/05/574347305.db2.gz OUGDAFKSJURMAC-INIZCTEOSA-N 0 3 288.391 2.758 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000743430215 574364092 /nfs/dbraw/zinc/36/40/92/574364092.db2.gz GHKPTWWRBWZQNB-GFCCVEGCSA-N 0 3 284.315 2.674 20 30 CFEDHN COc1ccc(C[NH2+]CC#Cc2ccccc2)c([O-])c1 ZINC000736355030 574364444 /nfs/dbraw/zinc/36/44/44/574364444.db2.gz CCKRHMZCISFSOR-UHFFFAOYSA-N 0 3 267.328 2.542 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN([C@@H]2CCCCC2=NN2CCOCC2)C1 ZINC000751517432 574378225 /nfs/dbraw/zinc/37/82/25/574378225.db2.gz WOCXDQUFHLMOLD-BFYDXBDKSA-N 0 3 293.455 2.595 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(OC(F)F)cc1 ZINC000752165300 574388639 /nfs/dbraw/zinc/38/86/39/574388639.db2.gz PTYTXXHSBBTIIZ-SECBINFHSA-N 0 3 269.295 2.637 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000752766874 574394969 /nfs/dbraw/zinc/39/49/69/574394969.db2.gz AHXYZBATRFEYJE-DZGCQCFKSA-N 0 3 298.342 2.501 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000752766877 574394977 /nfs/dbraw/zinc/39/49/77/574394977.db2.gz AHXYZBATRFEYJE-ZFWWWQNUSA-N 0 3 298.342 2.501 20 30 CFEDHN C=C(CN(C)C)C(=O)NCc1ccc2sccc2c1 ZINC000752950197 574396699 /nfs/dbraw/zinc/39/66/99/574396699.db2.gz GCUXNJLVYLDJBG-UHFFFAOYSA-N 0 3 274.389 2.635 20 30 CFEDHN CC[C@@H]1C[C@H](CN2CCC[C@@](C)(C#N)C2)CCO1 ZINC000753585688 574405457 /nfs/dbraw/zinc/40/54/57/574405457.db2.gz AWGHJPVFMAAXQD-KFWWJZLASA-N 0 3 250.386 2.817 20 30 CFEDHN C#CCOCCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000753761832 574409765 /nfs/dbraw/zinc/40/97/65/574409765.db2.gz QHYAXNLYVQIAHS-NSHDSACASA-N 0 3 269.291 2.588 20 30 CFEDHN C#CCOCCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000753766628 574409918 /nfs/dbraw/zinc/40/99/18/574409918.db2.gz GUVOYBRPFQFHBD-NSHDSACASA-N 0 3 287.281 2.886 20 30 CFEDHN N#Cc1ccc(Br)c(CNCC2CSC2)c1 ZINC000895720879 619590503 /nfs/dbraw/zinc/59/05/03/619590503.db2.gz KYQNUAAARHXKEA-UHFFFAOYSA-N 0 3 297.221 2.773 20 30 CFEDHN CC(CN1CCCCCC1)=NOCC(F)(F)F ZINC000777442676 628226512 /nfs/dbraw/zinc/22/65/12/628226512.db2.gz AHCPXLXTQRBWNH-UHFFFAOYSA-N 0 3 252.280 2.817 20 30 CFEDHN CCCCCCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000821055854 606208218 /nfs/dbraw/zinc/20/82/18/606208218.db2.gz HSYAWRKPIMHNLD-UHFFFAOYSA-N 0 3 279.413 2.988 20 30 CFEDHN CCCCCCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000821055854 606208219 /nfs/dbraw/zinc/20/82/19/606208219.db2.gz HSYAWRKPIMHNLD-UHFFFAOYSA-N 0 3 279.413 2.988 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819729697 607056768 /nfs/dbraw/zinc/05/67/68/607056768.db2.gz KVLBCBYNKMIOPO-GHMZBOCLSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819729697 607056769 /nfs/dbraw/zinc/05/67/69/607056769.db2.gz KVLBCBYNKMIOPO-GHMZBOCLSA-N 0 3 289.358 2.696 20 30 CFEDHN C=CCCC[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823893986 608131797 /nfs/dbraw/zinc/13/17/97/608131797.db2.gz DAEOZZHAPJHSEP-JTQLQIEISA-N 0 3 275.331 2.623 20 30 CFEDHN C=CCCC[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823893986 608131796 /nfs/dbraw/zinc/13/17/96/608131796.db2.gz DAEOZZHAPJHSEP-JTQLQIEISA-N 0 3 275.331 2.623 20 30 CFEDHN C=C(CC)C[N@@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823878244 608321370 /nfs/dbraw/zinc/32/13/70/608321370.db2.gz UAQKLKSTPIPVHX-UHFFFAOYSA-N 0 3 295.390 2.922 20 30 CFEDHN C=C(CC)C[N@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823878244 608321368 /nfs/dbraw/zinc/32/13/68/608321368.db2.gz UAQKLKSTPIPVHX-UHFFFAOYSA-N 0 3 295.390 2.922 20 30 CFEDHN C=CCCC[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823894716 608461210 /nfs/dbraw/zinc/46/12/10/608461210.db2.gz WORMSFPLMSJFPK-UHFFFAOYSA-N 0 3 295.390 2.922 20 30 CFEDHN C=CCCC[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823894716 608461211 /nfs/dbraw/zinc/46/12/11/608461211.db2.gz WORMSFPLMSJFPK-UHFFFAOYSA-N 0 3 295.390 2.922 20 30 CFEDHN C=CCCC[N@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894716 608461212 /nfs/dbraw/zinc/46/12/12/608461212.db2.gz WORMSFPLMSJFPK-UHFFFAOYSA-N 0 3 295.390 2.922 20 30 CFEDHN C=CCCC[N@@H+]1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894716 608461213 /nfs/dbraw/zinc/46/12/13/608461213.db2.gz WORMSFPLMSJFPK-UHFFFAOYSA-N 0 3 295.390 2.922 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823888188 608520577 /nfs/dbraw/zinc/52/05/77/608520577.db2.gz GVDCRARZLHAIBP-XHDPSFHLSA-N 0 3 283.379 2.798 20 30 CFEDHN C=CC[C@H](C)[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823888188 608520579 /nfs/dbraw/zinc/52/05/79/608520579.db2.gz GVDCRARZLHAIBP-XHDPSFHLSA-N 0 3 283.379 2.798 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(CCCOC)C1CCN(C)CC1 ZINC000936049399 649980145 /nfs/dbraw/zinc/98/01/45/649980145.db2.gz OAJKIKWQDCXUNT-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2csc3cc(C)ccc23)C1 ZINC000968801304 612967690 /nfs/dbraw/zinc/96/76/90/612967690.db2.gz WEWZUINWWBDPJQ-CYBMUJFWSA-N 0 3 298.411 2.647 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970946340 612996380 /nfs/dbraw/zinc/99/63/80/612996380.db2.gz BXZXKTCGBUYZJH-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC000970842586 612997456 /nfs/dbraw/zinc/99/74/56/612997456.db2.gz HHELGQVZDLIAFA-ZDUSSCGKSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967498892 613014882 /nfs/dbraw/zinc/01/48/82/613014882.db2.gz PJYWOLDPBQITMP-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974814226 613037925 /nfs/dbraw/zinc/03/79/25/613037925.db2.gz GDBAOTMSEDCNTD-KFWWJZLASA-N 0 3 290.451 2.519 20 30 CFEDHN C/C=C(/C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971305333 613108819 /nfs/dbraw/zinc/10/88/19/613108819.db2.gz OHHHYEPEAYMOKF-ZGKREOHOSA-N 0 3 297.402 2.557 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC000948680425 613177978 /nfs/dbraw/zinc/17/79/78/613177978.db2.gz IEXXDKQKKPTMDA-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C[C@@H]1C ZINC000948082271 613223604 /nfs/dbraw/zinc/22/36/04/613223604.db2.gz AIPOQMUHRRLIEC-GOEBONIOSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCCC2)C[C@@H]1C ZINC000947027868 613224906 /nfs/dbraw/zinc/22/49/06/613224906.db2.gz VHPGWAVRNGTOSE-GOEBONIOSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)C[C@@H]1C ZINC000948070251 613256975 /nfs/dbraw/zinc/25/69/75/613256975.db2.gz OFKMJDTWXYHLGG-VUGNNNGISA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)C[C@@H]1C ZINC000947993608 613268736 /nfs/dbraw/zinc/26/87/36/613268736.db2.gz DWMRPPKPINLFER-HOTGVXAUSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000947959359 613269291 /nfs/dbraw/zinc/26/92/91/613269291.db2.gz XRJPRDIVQIUKEK-WFASDCNBSA-N 0 3 290.794 2.556 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H](C)C1 ZINC000942072429 613270304 /nfs/dbraw/zinc/27/03/04/613270304.db2.gz JVAISQYGGCFYHM-CJNGLKHVSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C[C@H]1C ZINC000948078778 613270505 /nfs/dbraw/zinc/27/05/05/613270505.db2.gz NWPHUYAQLHIGOO-KDOFPFPSSA-N 0 3 296.414 2.780 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970539610 613299367 /nfs/dbraw/zinc/29/93/67/613299367.db2.gz 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IJMGWFYZXSNNDM-JJXSEGSLSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024642599 618431186 /nfs/dbraw/zinc/43/11/86/618431186.db2.gz XINRQZKBAAFSBL-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCCCCC[C@@H](C)N[C@H](C)C1N=NC(=O)N1C ZINC000895175179 618432455 /nfs/dbraw/zinc/43/24/55/618432455.db2.gz ICODKNDHLIAPME-VXGBXAGGSA-N 0 3 268.405 2.920 20 30 CFEDHN COc1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)c([O-])c1 ZINC000894184986 618432728 /nfs/dbraw/zinc/43/27/28/618432728.db2.gz IIERXCYRALYHHP-LLVKDONJSA-N 0 3 262.353 2.819 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001006911374 618450991 /nfs/dbraw/zinc/45/09/91/618450991.db2.gz CZYJLBQIIKCQLV-MRXNPFEDSA-N 0 3 276.424 2.561 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001024723864 618454109 /nfs/dbraw/zinc/45/41/09/618454109.db2.gz SDEMJLMHKZIXJK-MRXNPFEDSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001024723861 618454216 /nfs/dbraw/zinc/45/42/16/618454216.db2.gz SDEMJLMHKZIXJK-INIZCTEOSA-N 0 3 287.407 2.550 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785445 618469666 /nfs/dbraw/zinc/46/96/66/618469666.db2.gz KJQOUXOYEUSQRX-KRWDZBQOSA-N 0 3 298.430 2.911 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cccn1CC ZINC001024800979 618473856 /nfs/dbraw/zinc/47/38/56/618473856.db2.gz KGUCWFPWGAXMGQ-HNNXBMFYSA-N 0 3 289.423 2.668 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000320190194 618506967 /nfs/dbraw/zinc/50/69/67/618506967.db2.gz BANOOBJTNYNLCH-CMPLNLGQSA-N 0 3 253.317 2.509 20 30 CFEDHN C#C[C@@H](NCc1ccc(CC(C)C)nc1)C1CCOCC1 ZINC000895435988 618584883 /nfs/dbraw/zinc/58/48/83/618584883.db2.gz OBDWZLHJRQXBSF-GOSISDBHSA-N 0 3 286.419 2.798 20 30 CFEDHN C#C[C@H](NCc1c(C)nn(C(C)C)c1C)C1CCOCC1 ZINC000895437271 618585444 /nfs/dbraw/zinc/58/54/44/618585444.db2.gz YOUCORVHUOPGOP-KRWDZBQOSA-N 0 3 289.423 2.599 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C ZINC001017892571 618681033 /nfs/dbraw/zinc/68/10/33/618681033.db2.gz JTZLMBGVUYFPLG-QXSJWSMHSA-N 0 3 276.424 2.674 20 30 CFEDHN CC(=NNCCC(=O)OC(C)(C)C)c1ccc(N)cc1C ZINC000783866095 618730549 /nfs/dbraw/zinc/73/05/49/618730549.db2.gz OIQFENDIJMLSHO-UHFFFAOYSA-N 0 3 291.395 2.623 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000892778958 618745715 /nfs/dbraw/zinc/74/57/15/618745715.db2.gz OCWLPNHSYZBDFG-BEFAXECRSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CC[C@H](C)NCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892949776 618780316 /nfs/dbraw/zinc/78/03/16/618780316.db2.gz DLDGQQVDMNFJCQ-NSHDSACASA-N 0 3 294.399 2.821 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2CCCCC2)C1 ZINC001019948220 618795436 /nfs/dbraw/zinc/79/54/36/618795436.db2.gz IWQWHGVZMNEXBG-JOCQHMNTSA-N 0 3 270.804 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001020200211 618804522 /nfs/dbraw/zinc/80/45/22/618804522.db2.gz MDSRXKCFAOGFKV-HAQNSBGRSA-N 0 3 298.839 2.968 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2C)C1 ZINC001020186503 618804730 /nfs/dbraw/zinc/80/47/30/618804730.db2.gz QVPLUBIVMGZOAZ-YXCITZCRSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C[C@H](C)NCc1cnc(CC(F)(F)F)s1 ZINC000893114989 618836349 /nfs/dbraw/zinc/83/63/49/618836349.db2.gz ZIRDWICFQNGDEZ-ZETCQYMHSA-N 0 3 250.289 2.912 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001007848310 618877716 /nfs/dbraw/zinc/87/77/16/618877716.db2.gz ASLPHLQJYPTNFM-OAHLLOKOSA-N 0 3 290.407 2.975 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009691469 619013776 /nfs/dbraw/zinc/01/37/76/619013776.db2.gz MYYSDWLHCCOVBW-UPTPFMHGSA-N 0 3 290.451 2.807 20 30 CFEDHN CCOC(CN[C@@H](C)c1ccc(C#N)cc1)OCC ZINC000093447026 619023836 /nfs/dbraw/zinc/02/38/36/619023836.db2.gz LWEUCUTXNSZLDG-LBPRGKRZSA-N 0 3 262.353 2.608 20 30 CFEDHN CC1([C@@H]2CCCN(Cc3csc(C#N)c3)C2)OCCO1 ZINC000893536291 619042516 /nfs/dbraw/zinc/04/25/16/619042516.db2.gz TYHBCBXVCRHXDF-CYBMUJFWSA-N 0 3 292.404 2.595 20 30 CFEDHN CN(CCc1ccncc1)Cc1csc(C#N)c1 ZINC000893541962 619051692 /nfs/dbraw/zinc/05/16/92/619051692.db2.gz WHCIFFZDFNMGEJ-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN CCCN(C(=O)Nc1sccc1C#N)[C@H]1CCN(C)C1 ZINC000931835031 619125629 /nfs/dbraw/zinc/12/56/29/619125629.db2.gz KSGNMCQDJHMHPR-LBPRGKRZSA-N 0 3 292.408 2.568 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCC#Cc2ccccc2)c1 ZINC000893930471 619246463 /nfs/dbraw/zinc/24/64/63/619246463.db2.gz BYTONVDRZSGNFI-LJQANCHMSA-N 0 3 279.383 2.540 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000894384738 619361283 /nfs/dbraw/zinc/36/12/83/619361283.db2.gz UCELOIAUQAWXTA-CYBMUJFWSA-N 0 3 288.391 2.823 20 30 CFEDHN COC(=O)[C@H](CNCc1csc(C#N)c1)CC(C)C ZINC000894536373 619415054 /nfs/dbraw/zinc/41/50/54/619415054.db2.gz DYSSYONOLGQHIO-LBPRGKRZSA-N 0 3 280.393 2.545 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894583524 619424161 /nfs/dbraw/zinc/42/41/61/619424161.db2.gz CLUXANAJPNMAAL-LBPRGKRZSA-N 0 3 257.337 2.809 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CC(N)=O)c1ccccc1 ZINC000894633222 619433357 /nfs/dbraw/zinc/43/33/57/619433357.db2.gz ZEGWSXIVSLCRAT-JSGCOSHPSA-N 0 3 273.380 2.521 20 30 CFEDHN CO[C@@H](CNCC#Cc1ccccc1)Cc1ccccc1 ZINC000894675997 619441165 /nfs/dbraw/zinc/44/11/65/619441165.db2.gz MKOKEWZWTUZRCS-LJQANCHMSA-N 0 3 279.383 2.885 20 30 CFEDHN C=CC(C)(C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894715636 619448010 /nfs/dbraw/zinc/44/80/10/619448010.db2.gz ZQPWMWALQLVGGV-UHFFFAOYSA-N 0 3 280.324 2.611 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(Cl)c1 ZINC000895005187 619524216 /nfs/dbraw/zinc/52/42/16/619524216.db2.gz AXMFEVMGNQEYIE-FZMZJTMJSA-N 0 3 267.756 2.726 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(CCCOC(C)(C)C)CC1 ZINC000895644456 619575808 /nfs/dbraw/zinc/57/58/08/619575808.db2.gz APMHNQNZVMMJPO-INIZCTEOSA-N 0 3 295.471 2.749 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(CCCOC(C)(C)C)CC1 ZINC000895644457 619576000 /nfs/dbraw/zinc/57/60/00/619576000.db2.gz APMHNQNZVMMJPO-MRXNPFEDSA-N 0 3 295.471 2.749 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc3occc3c2)CC1 ZINC000895669880 619582387 /nfs/dbraw/zinc/58/23/87/619582387.db2.gz KCNRCBVIHOGDNP-UHFFFAOYSA-N 0 3 269.344 2.783 20 30 CFEDHN COc1cc2c(cc1O)CCN(C[C@H](C)CCC#N)C2 ZINC000895889682 619628432 /nfs/dbraw/zinc/62/84/32/619628432.db2.gz ZMTQPJMNYJXDAS-GFCCVEGCSA-N 0 3 274.364 2.699 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccn3ccccc23)CC1 ZINC000896209315 619694164 /nfs/dbraw/zinc/69/41/64/619694164.db2.gz XVNCNSWOUNBWCS-UHFFFAOYSA-N 0 3 297.402 2.710 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCCC3(CCC3)O2)n1 ZINC000896917544 619887110 /nfs/dbraw/zinc/88/71/10/619887110.db2.gz CTWLUVNDORVAPT-HNNXBMFYSA-N 0 3 271.364 2.535 20 30 CFEDHN C=C1CC(C)(c2noc([C@H]3CCN(C)[C@@H](C)C3)n2)C1 ZINC000896920284 619891225 /nfs/dbraw/zinc/89/12/25/619891225.db2.gz AMTRHAJLJPQIEH-RYUDHWBXSA-N 0 3 261.369 2.875 20 30 CFEDHN C=C(Cl)C(C)(C)C(=O)N1CCC(N(C)CCF)CC1 ZINC000985453315 619979860 /nfs/dbraw/zinc/97/98/60/619979860.db2.gz ZVYJQUFPRQNFPS-UHFFFAOYSA-N 0 3 290.810 2.657 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2scc(C)c2Cl)C1 ZINC000988874258 620226306 /nfs/dbraw/zinc/22/63/06/620226306.db2.gz CQUPUPJLXROHIT-WDEREUQCSA-N 0 3 296.823 2.536 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2coc3c2cccc3C)C1 ZINC000988957590 620227914 /nfs/dbraw/zinc/22/79/14/620227914.db2.gz ZNUBWDWEANOOEB-UONOGXRCSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC000989125931 620232684 /nfs/dbraw/zinc/23/26/84/620232684.db2.gz PVXMWXIBMCJPRJ-TZMCWYRMSA-N 0 3 298.411 2.727 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC000989207513 620237259 /nfs/dbraw/zinc/23/72/59/620237259.db2.gz NFTJHPWRYINLOF-NVXWUHKLSA-N 0 3 290.451 2.949 20 30 CFEDHN Cc1nnc(C)n1N=C1CC(c2ccc(C)cc2)C1 ZINC000729817331 620256246 /nfs/dbraw/zinc/25/62/46/620256246.db2.gz YVYLSJSVJKTSNW-UHFFFAOYSA-N 0 3 254.337 2.985 20 30 CFEDHN C=C1CCC(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000897865190 620295279 /nfs/dbraw/zinc/29/52/79/620295279.db2.gz WXWMWWRWGYQQQU-CQSZACIVSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CCCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000989458123 620355597 /nfs/dbraw/zinc/35/55/97/620355597.db2.gz CZBCBMUKKDLMSN-UHFFFAOYSA-N 0 3 286.366 2.532 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925321069 620379375 /nfs/dbraw/zinc/37/93/75/620379375.db2.gz OGTGQPZERFEUIZ-GXTWGEPZSA-N 0 3 293.436 2.538 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3ccsc32)C1 ZINC000989646171 620384179 /nfs/dbraw/zinc/38/41/79/620384179.db2.gz KIXCCJNZAPRXOX-GXTWGEPZSA-N 0 3 298.411 2.727 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000989681135 620385815 /nfs/dbraw/zinc/38/58/15/620385815.db2.gz WVYOXXOXDBUUSM-RDTXWAMCSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)C)s2)C1 ZINC000989837312 620394021 /nfs/dbraw/zinc/39/40/21/620394021.db2.gz AKYJYZRHKZAMJO-QWHCGFSZSA-N 0 3 290.432 2.697 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(F)c3)CCC[C@@H]12 ZINC000989916197 620401646 /nfs/dbraw/zinc/40/16/46/620401646.db2.gz QOVZNELLNCDWHX-NVXWUHKLSA-N 0 3 288.366 2.739 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)cc3)CCC[C@@H]12 ZINC000989910706 620401751 /nfs/dbraw/zinc/40/17/51/620401751.db2.gz YRHQGZAYALLFHJ-NVXWUHKLSA-N 0 3 288.366 2.739 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989920131 620402785 /nfs/dbraw/zinc/40/27/85/620402785.db2.gz ZHQVHZHZIAVFPI-WMZOPIPTSA-N 0 3 288.435 2.703 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989927473 620403777 /nfs/dbraw/zinc/40/37/77/620403777.db2.gz ADEZRMZLALGAOB-PKOBYXMFSA-N 0 3 296.414 2.745 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989953690 620404955 /nfs/dbraw/zinc/40/49/55/620404955.db2.gz GSXFNAQBYPEXDN-PBHICJAKSA-N 0 3 288.391 2.891 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC000989952131 620405291 /nfs/dbraw/zinc/40/52/91/620405291.db2.gz ZITNDGGBRVIARO-ZBFHGGJFSA-N 0 3 274.364 2.583 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@H]12 ZINC000990149068 620410080 /nfs/dbraw/zinc/41/00/80/620410080.db2.gz LONBHOGFLZVYHJ-UGSOOPFHSA-N 0 3 290.451 2.968 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cscc3C)CCC[C@H]12 ZINC000990165189 620411398 /nfs/dbraw/zinc/41/13/98/620411398.db2.gz VWYAKVKQMWNOJW-HOCLYGCPSA-N 0 3 290.432 2.969 20 30 CFEDHN Cn1nc(C(F)(F)F)cc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000926926619 620425678 /nfs/dbraw/zinc/42/56/78/620425678.db2.gz CEFGQXLKCXKUBS-VHSXEESVSA-N 0 3 286.301 2.611 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990543254 620429711 /nfs/dbraw/zinc/42/97/11/620429711.db2.gz JPTFVKLBGRVCTP-RHSMWYFYSA-N 0 3 276.424 2.722 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNC/C=C\Cl)cc1 ZINC000898437207 620464943 /nfs/dbraw/zinc/46/49/43/620464943.db2.gz YOVPEVQKVYDDDO-IGVIJBNESA-N 0 3 250.729 2.820 20 30 CFEDHN C=C1CN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000898703378 620489925 /nfs/dbraw/zinc/48/99/25/620489925.db2.gz PKPCWBQIOUPTMJ-UHFFFAOYSA-N 0 3 270.376 2.685 20 30 CFEDHN C=C1CCC(CN[C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000901573170 620866941 /nfs/dbraw/zinc/86/69/41/620866941.db2.gz QCVMCJPGEXRALG-OAHLLOKOSA-N 0 3 276.355 2.688 20 30 CFEDHN C[C@H](N[C@H](Cn1ccnc1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759469 621166823 /nfs/dbraw/zinc/16/68/23/621166823.db2.gz YCRFJHRZNZAGJS-XJKSGUPXSA-N 0 3 297.406 2.915 20 30 CFEDHN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902812480 621184561 /nfs/dbraw/zinc/18/45/61/621184561.db2.gz UDTDTTNJZRHNDU-ZYHUDNBSSA-N 0 3 284.363 2.840 20 30 CFEDHN CCCC(O)(CCC)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902812001 621184671 /nfs/dbraw/zinc/18/46/71/621184671.db2.gz MPLLNELMLDTPPC-CYBMUJFWSA-N 0 3 275.396 2.935 20 30 CFEDHN C[C@H](NCCNc1ccccc1)c1cc(C#N)ccn1 ZINC000902835353 621187058 /nfs/dbraw/zinc/18/70/58/621187058.db2.gz FEJFNLQQNQUAHO-ZDUSSCGKSA-N 0 3 266.348 2.716 20 30 CFEDHN Cc1nc(CCN[C@@H](C)c2cc(C#N)ccn2)sc1C ZINC000902843352 621189665 /nfs/dbraw/zinc/18/96/65/621189665.db2.gz PFCYELYMRBVQOL-NSHDSACASA-N 0 3 286.404 2.920 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000902874799 621194330 /nfs/dbraw/zinc/19/43/30/621194330.db2.gz JJKQVYOHLCSSPN-CVEARBPZSA-N 0 3 299.418 2.998 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902875417 621195205 /nfs/dbraw/zinc/19/52/05/621195205.db2.gz NCHWFNMLUHFWFU-NVGCLXPQSA-N 0 3 299.349 2.865 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902898415 621197498 /nfs/dbraw/zinc/19/74/98/621197498.db2.gz ZQIBBWCTCJGMAL-FDRIWYBQSA-N 0 3 273.380 2.663 20 30 CFEDHN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@H]1CCCO1 ZINC000902888234 621199984 /nfs/dbraw/zinc/19/99/84/621199984.db2.gz RCAVHLBENSOKTF-OSAQELSMSA-N 0 3 259.353 2.561 20 30 CFEDHN CC[C@@H](NCc1ccc(C)n(C)c1=O)c1cccc(C#N)c1 ZINC000902975531 621215859 /nfs/dbraw/zinc/21/58/59/621215859.db2.gz GXSRAWWNOQTTLV-QGZVFWFLSA-N 0 3 295.386 2.806 20 30 CFEDHN C[C@@H](NC[C@@H](CO)CC1CCCC1)c1cc(C#N)ccn1 ZINC000902979958 621216761 /nfs/dbraw/zinc/21/67/61/621216761.db2.gz WMFZIMOWDIEYCN-CJNGLKHVSA-N 0 3 287.407 2.793 20 30 CFEDHN C[C@H](N[C@H]1CCc2ccccc2OC1)c1cc(C#N)ccn1 ZINC000902981754 621216980 /nfs/dbraw/zinc/21/69/80/621216980.db2.gz DCQLMXQXVUGJSQ-BBRMVZONSA-N 0 3 293.370 2.998 20 30 CFEDHN CCc1ccc([C@@H](O)CN[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902986675 621218300 /nfs/dbraw/zinc/21/83/00/621218300.db2.gz FFQYHOBHIZMRAH-UGSOOPFHSA-N 0 3 295.386 2.900 20 30 CFEDHN CC[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000903017850 621222419 /nfs/dbraw/zinc/22/24/19/621222419.db2.gz ZFRSHLOFJDOMNB-IKGGRYGDSA-N 0 3 297.402 2.752 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903023628 621233824 /nfs/dbraw/zinc/23/38/24/621233824.db2.gz OYOIDJYAWJNFLZ-XJKSGUPXSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](Nc2ncccn2)C1 ZINC000903023624 621234009 /nfs/dbraw/zinc/23/40/09/621234009.db2.gz OYOIDJYAWJNFLZ-BBRMVZONSA-N 0 3 293.374 2.596 20 30 CFEDHN C[C@H](NC[C@@H]1CCC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903051282 621242336 /nfs/dbraw/zinc/24/23/36/621242336.db2.gz HZKFXDWHCHAHSZ-DYEKYZERSA-N 0 3 259.353 2.561 20 30 CFEDHN CC(C)OC1(CN[C@H](C)c2cc(C#N)ccn2)CCC1 ZINC000903084551 621246357 /nfs/dbraw/zinc/24/63/57/621246357.db2.gz FJCXMMSKYXTNDB-CYBMUJFWSA-N 0 3 273.380 2.952 20 30 CFEDHN C[C@H](NCC[C@H](O)C1CCCC1)c1cc(C#N)ccn1 ZINC000903084892 621247006 /nfs/dbraw/zinc/24/70/06/621247006.db2.gz LUSKNZWYPGHLJN-LRDDRELGSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@@H](NCc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903198377 621282936 /nfs/dbraw/zinc/28/29/36/621282936.db2.gz KAFPIDIVVVEQOW-CYBMUJFWSA-N 0 3 280.375 2.870 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1nc(CN(C)C)cs1 ZINC000903227463 621297071 /nfs/dbraw/zinc/29/70/71/621297071.db2.gz VLDYKPWZKONFGT-VXGBXAGGSA-N 0 3 267.442 2.895 20 30 CFEDHN C[N@@H+]1CCCC[C@@H]1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173084 621541784 /nfs/dbraw/zinc/54/17/84/621541784.db2.gz GIRDXDULPACKTP-OAHLLOKOSA-N 0 3 294.370 2.808 20 30 CFEDHN C[N@H+]1CCCC[C@@H]1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173084 621541786 /nfs/dbraw/zinc/54/17/86/621541786.db2.gz GIRDXDULPACKTP-OAHLLOKOSA-N 0 3 294.370 2.808 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905080939 621691131 /nfs/dbraw/zinc/69/11/31/621691131.db2.gz ONJHNBHGSJIWNP-AAIQCTMTSA-N 0 3 269.304 2.518 20 30 CFEDHN CC1/C(=C\c2cccc3c2OC(C)(C)C3)C(=O)c2ncnn21 ZINC000905082270 621691623 /nfs/dbraw/zinc/69/16/23/621691623.db2.gz VEDJFYKDWVYMFA-JLATVTFTSA-N 0 3 295.342 2.833 20 30 CFEDHN CC(C)Oc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905082450 621691742 /nfs/dbraw/zinc/69/17/42/621691742.db2.gz WIVWSINYDHCVTP-ZWSXMNCCSA-N 0 3 283.331 2.906 20 30 CFEDHN CC1/C(=C/c2ccc(C(C)(C)C#N)cc2)C(=O)c2ncnn21 ZINC000905084339 621692293 /nfs/dbraw/zinc/69/22/93/621692293.db2.gz IQTQIUJRIURSMU-KSSSLANASA-N 0 3 292.342 2.920 20 30 CFEDHN CCc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905087151 621692666 /nfs/dbraw/zinc/69/26/66/621692666.db2.gz WMTKNPCNPFXMBT-AAIQCTMTSA-N 0 3 253.305 2.681 20 30 CFEDHN c1ccc2c(c1)cnnc2N=NC1C[C@H]2CCCN(C1)C2 ZINC000905418153 621764199 /nfs/dbraw/zinc/76/41/99/621764199.db2.gz DNYIEZMIOYCHJD-GFCCVEGCSA-N 0 3 281.363 2.513 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@H]1CCSC2(CCC2)C1 ZINC000905602984 621795697 /nfs/dbraw/zinc/79/56/97/621795697.db2.gz WQRFEQBPMLIMFM-STQMWFEESA-N 0 3 263.410 2.838 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)N1CCCCC1 ZINC000905979742 621913137 /nfs/dbraw/zinc/91/31/37/621913137.db2.gz KLPVBUKWUODLGE-UHFFFAOYSA-N 0 3 299.418 2.781 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)N1CCCCC1 ZINC000905977343 621917733 /nfs/dbraw/zinc/91/77/33/621917733.db2.gz HROZFIIAQMGWTC-UHFFFAOYSA-N 0 3 299.418 2.781 20 30 CFEDHN C#CCC1(O)CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906597499 622020307 /nfs/dbraw/zinc/02/03/07/622020307.db2.gz PAUFCVGVRZXQQJ-JKSUJKDBSA-N 0 3 273.351 2.532 20 30 CFEDHN Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc(C)c1C#N ZINC000907280941 622108609 /nfs/dbraw/zinc/10/86/09/622108609.db2.gz DODGSSIXVFUTII-AWEZNQCLSA-N 0 3 297.402 2.555 20 30 CFEDHN C#CCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000174611008 622302350 /nfs/dbraw/zinc/30/23/50/622302350.db2.gz DIGWAWKGJIYPKB-UHFFFAOYSA-N 0 3 284.262 2.699 20 30 CFEDHN C#CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000911515793 622525597 /nfs/dbraw/zinc/52/55/97/622525597.db2.gz VXHOEBVDKJQMTG-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C[NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000819722487 622548333 /nfs/dbraw/zinc/54/83/33/622548333.db2.gz JZOQMCJKJQEYIV-UHFFFAOYSA-N 0 3 297.387 2.731 20 30 CFEDHN C=C(C[NH2+]Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000819722487 622548337 /nfs/dbraw/zinc/54/83/37/622548337.db2.gz JZOQMCJKJQEYIV-UHFFFAOYSA-N 0 3 297.387 2.731 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(C)ccc1OC ZINC000911940636 622594073 /nfs/dbraw/zinc/59/40/73/622594073.db2.gz SHOLCINGZTVBHD-LBPRGKRZSA-N 0 3 262.353 2.626 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000911962823 622599409 /nfs/dbraw/zinc/59/94/09/622599409.db2.gz YAVWKTJFPRMOEJ-LBPRGKRZSA-N 0 3 284.306 2.910 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000911962821 622599835 /nfs/dbraw/zinc/59/98/35/622599835.db2.gz YAVWKTJFPRMOEJ-GFCCVEGCSA-N 0 3 284.306 2.910 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000912026914 622608318 /nfs/dbraw/zinc/60/83/18/622608318.db2.gz QUHXEEXGQPBHSV-CQSZACIVSA-N 0 3 280.799 2.982 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1Cc1ccccc1 ZINC000912067210 622616747 /nfs/dbraw/zinc/61/67/47/622616747.db2.gz CXQDLXNLYUYSMQ-OAHLLOKOSA-N 0 3 298.390 2.554 20 30 CFEDHN C#C[C@@H]1CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912049377 622619392 /nfs/dbraw/zinc/61/93/92/622619392.db2.gz VTNOJQAJZLUMKB-CQSZACIVSA-N 0 3 295.386 2.776 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1C1CCCC1 ZINC000912052216 622620158 /nfs/dbraw/zinc/62/01/58/622620158.db2.gz UIPCHONHCOAHSH-CYBMUJFWSA-N 0 3 276.384 2.620 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000912172184 622656323 /nfs/dbraw/zinc/65/63/23/622656323.db2.gz SJHYGSOWRLHSNI-TZMCWYRMSA-N 0 3 278.421 2.999 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000912197067 622660373 /nfs/dbraw/zinc/66/03/73/622660373.db2.gz GEMOIBUEWDVBEP-TUAOUCFPSA-N 0 3 292.345 2.907 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1F ZINC000912215228 622661659 /nfs/dbraw/zinc/66/16/59/622661659.db2.gz UQZKHEJOEVJGHV-CQSZACIVSA-N 0 3 282.334 2.607 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000912230490 622666574 /nfs/dbraw/zinc/66/65/74/622666574.db2.gz VHJJFNGBNKWNSJ-ZDUSSCGKSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1OC ZINC000912264513 622668330 /nfs/dbraw/zinc/66/83/30/622668330.db2.gz DVJLOVSEADYYAH-LLVKDONJSA-N 0 3 282.771 2.971 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000912263046 622668869 /nfs/dbraw/zinc/66/88/69/622668869.db2.gz FUZFXAPNKKDDNJ-CYBMUJFWSA-N 0 3 284.762 2.779 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OCCC)cc1 ZINC000912320344 622687386 /nfs/dbraw/zinc/68/73/86/622687386.db2.gz GHPBYXFZCVOGEA-MRXNPFEDSA-N 0 3 290.407 2.775 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)Cc1ccccc1F ZINC000912410617 622708972 /nfs/dbraw/zinc/70/89/72/622708972.db2.gz TYAYTRRDGRTGGY-SWLSCSKDSA-N 0 3 278.371 2.557 20 30 CFEDHN CC(C)C#CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913097336 622835110 /nfs/dbraw/zinc/83/51/10/622835110.db2.gz LPESOPHRUCPSDR-AEFFLSMTSA-N 0 3 298.430 2.673 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1ccccc1 ZINC000876545062 622903277 /nfs/dbraw/zinc/90/32/77/622903277.db2.gz HEFRPUXLNUOWTG-LBPRGKRZSA-N 0 3 252.745 2.509 20 30 CFEDHN C=CCc1cc(C[N@H+](C)CC2CC2)c([O-])c(OC)c1 ZINC000164190493 622941979 /nfs/dbraw/zinc/94/19/79/622941979.db2.gz WJVLNXVBPMAFAL-UHFFFAOYSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(C[N@@H+](C)CC2CC2)c([O-])c(OC)c1 ZINC000164190493 622941982 /nfs/dbraw/zinc/94/19/82/622941982.db2.gz WJVLNXVBPMAFAL-UHFFFAOYSA-N 0 3 261.365 2.971 20 30 CFEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156490089 622944929 /nfs/dbraw/zinc/94/49/29/622944929.db2.gz MCZADWATWDGASR-QWHCGFSZSA-N 0 3 290.388 2.784 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000876701587 622945719 /nfs/dbraw/zinc/94/57/19/622945719.db2.gz VCNGMHKHNNGZFP-ZMLRMANQSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991502447 622949082 /nfs/dbraw/zinc/94/90/82/622949082.db2.gz KRHSHAVVJVBDPK-WMLDXEAASA-N 0 3 294.414 2.958 20 30 CFEDHN C=C(Br)CN[C@@H](C)Cc1ccc(O)cc1 ZINC000168210766 623089309 /nfs/dbraw/zinc/08/93/09/623089309.db2.gz HBEDYAAKUINKPA-JTQLQIEISA-N 0 3 270.170 2.821 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCCO2)c([O-])c1 ZINC000060802366 623156865 /nfs/dbraw/zinc/15/68/65/623156865.db2.gz FEJSXAZLSWAYOQ-VUVCFOEZSA-N 0 3 276.380 2.836 20 30 CFEDHN Cc1cc(-c2noc([C@H](N)CCCC#N)n2)cc2nc[nH]c21 ZINC000822827107 623183184 /nfs/dbraw/zinc/18/31/84/623183184.db2.gz MJMBAXTUILYCTM-LLVKDONJSA-N 0 3 296.334 2.615 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000823499841 623334899 /nfs/dbraw/zinc/33/48/99/623334899.db2.gz NZYBEQCNLMKTEA-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823888896 623414452 /nfs/dbraw/zinc/41/44/52/623414452.db2.gz ZTWUWSMBWDMZOW-NXEZZACHSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823888896 623414458 /nfs/dbraw/zinc/41/44/58/623414458.db2.gz ZTWUWSMBWDMZOW-NXEZZACHSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ncc(C)cc3C)CCC[C@H]12 ZINC000991975844 623434691 /nfs/dbraw/zinc/43/46/91/623434691.db2.gz QBUIDCFIOINNNX-MAUKXSAKSA-N 0 3 299.418 2.611 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992130873 623463909 /nfs/dbraw/zinc/46/39/09/623463909.db2.gz LYFXZVQIUNUINJ-HOCLYGCPSA-N 0 3 274.364 2.501 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H](C)CCO ZINC000824517239 623515639 /nfs/dbraw/zinc/51/56/39/623515639.db2.gz RNBDWGQZHHTBMS-CYBMUJFWSA-N 0 3 295.810 2.850 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001015136615 623520412 /nfs/dbraw/zinc/52/04/12/623520412.db2.gz DAPSAPMNKBKUFW-AWEZNQCLSA-N 0 3 297.402 2.559 20 30 CFEDHN C#CCCOc1ccc(CNC2(CF)CCOCC2)cc1 ZINC000824690873 623545778 /nfs/dbraw/zinc/54/57/78/623545778.db2.gz OUTKJLHOKVKIIP-UHFFFAOYSA-N 0 3 291.366 2.697 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNC2(CF)CCOCC2)cc1 ZINC000824690433 623545924 /nfs/dbraw/zinc/54/59/24/623545924.db2.gz GGLUJSLFEIJGPR-CYBMUJFWSA-N 0 3 292.354 2.586 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992425907 623548690 /nfs/dbraw/zinc/54/86/90/623548690.db2.gz RBPZVPYDLMOQKO-HKUYNNGSSA-N 0 3 296.414 2.745 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H](CC)[C@H](C)O ZINC000824921960 623589638 /nfs/dbraw/zinc/58/96/38/623589638.db2.gz VOURGQZLZFSTKX-SMDDNHRTSA-N 0 3 281.783 2.601 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001015208120 623601468 /nfs/dbraw/zinc/60/14/68/623601468.db2.gz JJZLGGXPTKSHBY-LBPRGKRZSA-N 0 3 294.345 2.653 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)nc3C)CCC[C@@H]12 ZINC000992491347 623615720 /nfs/dbraw/zinc/61/57/20/623615720.db2.gz FAFQSYMFZUYZLO-SJLPKXTDSA-N 0 3 299.418 2.611 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H]1CCC[C@H]1CO ZINC000825189204 623646146 /nfs/dbraw/zinc/64/61/46/623646146.db2.gz YADBOUHFTBYKRK-WFASDCNBSA-N 0 3 293.794 2.603 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992975687 623824259 /nfs/dbraw/zinc/82/42/59/623824259.db2.gz YHXYTDCGNUCZKE-XJKSGUPXSA-N 0 3 290.382 2.985 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992984155 623828336 /nfs/dbraw/zinc/82/83/36/623828336.db2.gz ROCUSMPRQMEYHB-HOCLYGCPSA-N 0 3 272.392 2.845 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992988275 623830401 /nfs/dbraw/zinc/83/04/01/623830401.db2.gz XJXOCLVAZBVCEO-CJNGLKHVSA-N 0 3 290.382 2.985 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992988274 623831583 /nfs/dbraw/zinc/83/15/83/623831583.db2.gz XJXOCLVAZBVCEO-BBRMVZONSA-N 0 3 290.382 2.985 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@](C)(F)CCCC)CC1 ZINC000826656481 623832442 /nfs/dbraw/zinc/83/24/42/623832442.db2.gz QBXRSOBGNRBFHF-HNNXBMFYSA-N 0 3 270.392 2.671 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987364 623834414 /nfs/dbraw/zinc/83/44/14/623834414.db2.gz NTTYDAGEBAIECT-ZBFHGGJFSA-N 0 3 276.424 2.559 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC000993011222 623842767 /nfs/dbraw/zinc/84/27/67/623842767.db2.gz FESRVAJPWZFWTI-ZFWWWQNUSA-N 0 3 292.448 2.836 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993023705 623846816 /nfs/dbraw/zinc/84/68/16/623846816.db2.gz CZGMHIAZVRXVPI-JSGCOSHPSA-N 0 3 278.421 2.907 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993051437 623871025 /nfs/dbraw/zinc/87/10/25/623871025.db2.gz SEKYDBISHBSOSU-BBRMVZONSA-N 0 3 288.391 2.502 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993072555 623886968 /nfs/dbraw/zinc/88/69/68/623886968.db2.gz QBCCARLFGVAOKL-CHWSQXEVSA-N 0 3 293.436 2.610 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cnc([C@@H](C)O)s2)C1 ZINC000826948472 623913696 /nfs/dbraw/zinc/91/36/96/623913696.db2.gz ZCOSSZDAUXSGHZ-VXGBXAGGSA-N 0 3 266.410 2.985 20 30 CFEDHN C#Cc1ccc(CN2CC(COC)(C3CCC3)C2)cc1 ZINC000827010941 623923857 /nfs/dbraw/zinc/92/38/57/623923857.db2.gz CMAULRIAASGTAL-UHFFFAOYSA-N 0 3 269.388 2.916 20 30 CFEDHN CCCCCCCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153429592 623968387 /nfs/dbraw/zinc/96/83/87/623968387.db2.gz BRKMBJXQKJNVHL-AWEZNQCLSA-N 0 3 254.418 2.900 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CC1 ZINC000915101349 623982713 /nfs/dbraw/zinc/98/27/13/623982713.db2.gz UGTHUDHQNGPXQP-NSHDSACASA-N 0 3 253.305 2.550 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993209454 624033451 /nfs/dbraw/zinc/03/34/51/624033451.db2.gz ZQNBJZXLNHIFEZ-DOTOQJQBSA-N 0 3 288.435 2.869 20 30 CFEDHN C#C[C@@H](NCc1cc(C)ccc1OC)C1CCOCC1 ZINC000827570124 624034994 /nfs/dbraw/zinc/03/49/94/624034994.db2.gz IODRQIFPWAMCMB-MRXNPFEDSA-N 0 3 273.376 2.522 20 30 CFEDHN CC(C)C#CC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000827662759 624057296 /nfs/dbraw/zinc/05/72/96/624057296.db2.gz UPHPVWDWUDUZAU-UHFFFAOYSA-N 0 3 298.430 2.769 20 30 CFEDHN C#CCCN(CCOC)Cc1c[nH]nc1-c1ccsc1 ZINC000827823229 624102557 /nfs/dbraw/zinc/10/25/57/624102557.db2.gz LPHWKUBXDMBAHJ-UHFFFAOYSA-N 0 3 289.404 2.610 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccccc2)[C@@H]1C ZINC000993491959 624149365 /nfs/dbraw/zinc/14/93/65/624149365.db2.gz WLLPCJAUPADIOU-RDJZCZTQSA-N 0 3 286.419 2.774 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993557266 624151963 /nfs/dbraw/zinc/15/19/63/624151963.db2.gz OFHFCJNRRDLLFJ-NVXWUHKLSA-N 0 3 286.419 2.693 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993630421 624156599 /nfs/dbraw/zinc/15/65/99/624156599.db2.gz HFRMEVATJQAGLF-GOEBONIOSA-N 0 3 290.451 2.805 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993679780 624158056 /nfs/dbraw/zinc/15/80/56/624158056.db2.gz YGPBYAIUPZZYHO-KBPBESRZSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CCCF)[C@@H]2C)C1 ZINC000993786526 624169508 /nfs/dbraw/zinc/16/95/08/624169508.db2.gz GEBWXEWAOCXULQ-ZIAGYGMSSA-N 0 3 282.403 2.671 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC000993865475 624172292 /nfs/dbraw/zinc/17/22/92/624172292.db2.gz VGQMSVZQDPTPLO-IAGOWNOFSA-N 0 3 298.430 2.909 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN1CCOCC1 ZINC000916290185 624237038 /nfs/dbraw/zinc/23/70/38/624237038.db2.gz ZPHQTXRUPGOHPN-DUSDQMQHSA-N 0 3 285.391 2.616 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC000994333556 624275961 /nfs/dbraw/zinc/27/59/61/624275961.db2.gz WVCACMKCUNVXPI-CJNGLKHVSA-N 0 3 290.382 2.523 20 30 CFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC000917153635 624321452 /nfs/dbraw/zinc/32/14/52/624321452.db2.gz XTZJNVAZFMXGDH-GFCCVEGCSA-N 0 3 299.399 2.814 20 30 CFEDHN CC(C)N1CC[C@H](N(C)c2nc(Cl)c(C#N)s2)C1 ZINC000829572824 624456932 /nfs/dbraw/zinc/45/69/32/624456932.db2.gz ZJWUDRZCRGSAAT-VIFPVBQESA-N 0 3 284.816 2.587 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000829788945 624538347 /nfs/dbraw/zinc/53/83/47/624538347.db2.gz KFPBESKFUJZBQS-LBPRGKRZSA-N 0 3 277.389 2.770 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000829794087 624540941 /nfs/dbraw/zinc/54/09/41/624540941.db2.gz QZRCBRIMEDKHQG-CRAIPNDOSA-N 0 3 296.414 2.742 20 30 CFEDHN C=CC[C@@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000829865285 624571953 /nfs/dbraw/zinc/57/19/53/624571953.db2.gz JQKSQYZHOBWVAI-SKDRFNHKSA-N 0 3 281.787 2.514 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000830305859 624704528 /nfs/dbraw/zinc/70/45/28/624704528.db2.gz XFWQIGMNRLBFGG-HNNXBMFYSA-N 0 3 290.451 2.901 20 30 CFEDHN C[C@@H](NN=Cc1ccc(N(C)CCO)cc1)c1ccccc1 ZINC000920386149 624716933 /nfs/dbraw/zinc/71/69/33/624716933.db2.gz SAKYPLUVYKZAHB-OAHLLOKOSA-N 0 3 297.402 2.800 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Br)nc1 ZINC000834887687 625909505 /nfs/dbraw/zinc/90/95/05/625909505.db2.gz HSWOJVPZRPPKQW-WCQGTBRESA-N 0 3 297.196 2.838 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000834891648 625911865 /nfs/dbraw/zinc/91/18/65/625911865.db2.gz JFUOHDRVVWFBSL-YVLXSGLVSA-N 0 3 265.328 2.916 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NOC2CCOCC2)cc1 ZINC000834972136 625939881 /nfs/dbraw/zinc/93/98/81/625939881.db2.gz LOPGJVYWQVJSQW-SDGJVLBASA-N 0 3 274.364 2.947 20 30 CFEDHN N#Cc1ccc(Br)c(CNCC2CC2)c1 ZINC000921519755 625972429 /nfs/dbraw/zinc/97/24/29/625972429.db2.gz PHHWCYHJFNFWOJ-UHFFFAOYSA-N 0 3 265.154 2.820 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2c(C)cccc2C)CC1 ZINC000997766454 626015244 /nfs/dbraw/zinc/01/52/44/626015244.db2.gz ZWHCENJYWASSEI-INIZCTEOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)C2CCCCC2)CC1 ZINC000997893338 626017997 /nfs/dbraw/zinc/01/79/97/626017997.db2.gz IKEFGVXQLHHXAV-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)CC1 ZINC000998005513 626027026 /nfs/dbraw/zinc/02/70/26/626027026.db2.gz PLWYVDCJHHBFJB-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000998138681 626033674 /nfs/dbraw/zinc/03/36/74/626033674.db2.gz DULCXVLCHMYFSB-CVEARBPZSA-N 0 3 288.435 2.513 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC23CC3)CC1 ZINC000998144955 626033993 /nfs/dbraw/zinc/03/39/93/626033993.db2.gz VSACXDZBVXZFNG-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCOc1ccccc1CN(CC)CCOCC ZINC000092537854 626045563 /nfs/dbraw/zinc/04/55/63/626045563.db2.gz WINUCGNBBNQUOU-UHFFFAOYSA-N 0 3 261.365 2.557 20 30 CFEDHN C=CCCCCCCCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000851660590 634473930 /nfs/dbraw/zinc/47/39/30/634473930.db2.gz TYVSNIFJQQHBAD-HUUCEWRRSA-N 0 3 299.434 2.984 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC000999243303 626069932 /nfs/dbraw/zinc/06/99/32/626069932.db2.gz FZRFBFYEXZIACZ-BPCQOVAHSA-N 0 3 284.831 2.754 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC000999248105 626069969 /nfs/dbraw/zinc/06/99/69/626069969.db2.gz OFXXJBOISPCIER-PIMMBPRGSA-N 0 3 282.815 2.674 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC000999363612 626072811 /nfs/dbraw/zinc/07/28/11/626072811.db2.gz GYKYDGHGUZWLBO-BLYZHGLHSA-N 0 3 284.831 2.754 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000999375367 626072870 /nfs/dbraw/zinc/07/28/70/626072870.db2.gz SLHMUHRAPIEHNH-USPMSXPRSA-N 0 3 296.842 2.898 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016161634 626079589 /nfs/dbraw/zinc/07/95/89/626079589.db2.gz XMAMYBGRAMKOHU-MRXNPFEDSA-N 0 3 292.382 2.667 20 30 CFEDHN N#Cc1cc(CN[C@@H]2CCN(c3ccccc3)C2)cs1 ZINC000921705989 626095902 /nfs/dbraw/zinc/09/59/02/626095902.db2.gz DLFFKHBHFYURFQ-CQSZACIVSA-N 0 3 283.400 2.988 20 30 CFEDHN Cc1cc([C@@](C)(O)CNCc2csc(C#N)c2)c(C)o1 ZINC000921776740 626118464 /nfs/dbraw/zinc/11/84/64/626118464.db2.gz VSWXEPWYLWEFGL-HNNXBMFYSA-N 0 3 290.388 2.827 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2sccc2Cl)CC1 ZINC001000724480 626129523 /nfs/dbraw/zinc/12/95/23/626129523.db2.gz RSOBDYYLDVQJDI-UHFFFAOYSA-N 0 3 296.823 2.949 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCc1csc(C#N)c1 ZINC000921805662 626134242 /nfs/dbraw/zinc/13/42/42/626134242.db2.gz HHLMMDNBPAZUFT-UHFFFAOYSA-N 0 3 280.393 2.831 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc[nH]c2CCC)CC1 ZINC001001066303 626142635 /nfs/dbraw/zinc/14/26/35/626142635.db2.gz IDBBWIPQYZEYQK-UHFFFAOYSA-N 0 3 287.407 2.515 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccccc2CC)CC1 ZINC001001092661 626145049 /nfs/dbraw/zinc/14/50/49/626145049.db2.gz KXTQURFXEWFOOP-UHFFFAOYSA-N 0 3 284.403 2.797 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2ccc(C)s2)CC1 ZINC001001139805 626147765 /nfs/dbraw/zinc/14/77/65/626147765.db2.gz UDWZXHNVZXDNDP-UHFFFAOYSA-N 0 3 290.432 2.522 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001001213194 626151388 /nfs/dbraw/zinc/15/13/88/626151388.db2.gz LEGKESFJOBSPME-UHFFFAOYSA-N 0 3 295.386 2.716 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001001438351 626157202 /nfs/dbraw/zinc/15/72/02/626157202.db2.gz HWNRWVIHUNCYQD-KRWDZBQOSA-N 0 3 288.435 2.584 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001001420995 626157402 /nfs/dbraw/zinc/15/74/02/626157402.db2.gz XYEVCJFJEMYDIQ-UHFFFAOYSA-N 0 3 284.403 2.797 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(CF)cc2)CC1 ZINC001001480495 626159214 /nfs/dbraw/zinc/15/92/14/626159214.db2.gz IWOKBHPXFGSIAR-UHFFFAOYSA-N 0 3 288.366 2.704 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001001530188 626160160 /nfs/dbraw/zinc/16/01/60/626160160.db2.gz VQPFEBQUAYRTDQ-QGZVFWFLSA-N 0 3 288.435 2.584 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001001775766 626162911 /nfs/dbraw/zinc/16/29/11/626162911.db2.gz DLZJEHOLUNKKKI-RDJZCZTQSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(CNC(=O)c2coc3ccccc23)CC1 ZINC001002177674 626168693 /nfs/dbraw/zinc/16/86/93/626168693.db2.gz PLAKMTNPLNUODY-UHFFFAOYSA-N 0 3 296.370 2.508 20 30 CFEDHN C=C1CCC(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000921881041 626172939 /nfs/dbraw/zinc/17/29/39/626172939.db2.gz MRCLPCPGWFFAIA-CQSZACIVSA-N 0 3 291.439 2.682 20 30 CFEDHN C[C@@H](NCc1csc(C#N)c1)[C@H](O)Cc1ccccc1 ZINC000921919042 626177806 /nfs/dbraw/zinc/17/78/06/626177806.db2.gz HKCYLNLGWSHANY-MLGOLLRUSA-N 0 3 286.400 2.701 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2csc(C#N)c2)[C@@H]1SC ZINC000922212755 626241950 /nfs/dbraw/zinc/24/19/50/626241950.db2.gz UJXSWXZWIRKSJW-UPJWGTAASA-N 0 3 282.434 2.618 20 30 CFEDHN N#Cc1cc(CN[C@@H]2CCO[C@H]2c2cccnc2)cs1 ZINC000922271393 626257503 /nfs/dbraw/zinc/25/75/03/626257503.db2.gz FOQSMOVXVOTRBX-CABCVRRESA-N 0 3 285.372 2.635 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cc(C)cnc1Cl ZINC000922298950 626263437 /nfs/dbraw/zinc/26/34/37/626263437.db2.gz MIEMHJKLSUXDFF-ZDUSSCGKSA-N 0 3 266.772 2.561 20 30 CFEDHN Cc1cc(CO)cc(C)c1CNCc1cccc(C#N)c1 ZINC000922560257 626308878 /nfs/dbraw/zinc/30/88/78/626308878.db2.gz JGOSUZNEKFXOQP-UHFFFAOYSA-N 0 3 280.371 2.957 20 30 CFEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)CC)CC1 ZINC001004308419 626342193 /nfs/dbraw/zinc/34/21/93/626342193.db2.gz BLQWWFODIBSCHJ-CQSZACIVSA-N 0 3 284.831 2.852 20 30 CFEDHN C#CCN(C[C@H](O)c1ccccn1)[C@@H]1CCc2ccccc21 ZINC000851734878 634499301 /nfs/dbraw/zinc/49/93/01/634499301.db2.gz AALXOHYYEZDTIY-MOPGFXCFSA-N 0 3 292.382 2.738 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)[C@H]1CC[C@H](OC)C1 ZINC000851737980 634500220 /nfs/dbraw/zinc/50/02/20/634500220.db2.gz STSRURTYDYQWRO-HOTGVXAUSA-N 0 3 261.340 2.828 20 30 CFEDHN C=CCC[NH+]1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001005128237 626411984 /nfs/dbraw/zinc/41/19/84/626411984.db2.gz AWJPJZFZNKDCBS-UHFFFAOYSA-N 0 3 288.391 2.505 20 30 CFEDHN Cc1ccc(NCCNCc2ccc(C#N)cc2F)nc1 ZINC000922923939 626425363 /nfs/dbraw/zinc/42/53/63/626425363.db2.gz ARNFESIUJYGFJA-UHFFFAOYSA-N 0 3 284.338 2.603 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC001005830535 626429023 /nfs/dbraw/zinc/42/90/23/626429023.db2.gz PJDUXVWYRONHIF-HNNXBMFYSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001005847707 626435741 /nfs/dbraw/zinc/43/57/41/626435741.db2.gz JOTJBRNWNDSRQH-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001005847708 626435815 /nfs/dbraw/zinc/43/58/15/626435815.db2.gz JOTJBRNWNDSRQH-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCC1(NCc2ncc(Cl)n2C)CCCCC1 ZINC000922980749 626438962 /nfs/dbraw/zinc/43/89/62/626438962.db2.gz ATQCDXDADYKZLZ-UHFFFAOYSA-N 0 3 265.788 2.889 20 30 CFEDHN CC1(C)OC[C@H](CN(Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000851738446 634503145 /nfs/dbraw/zinc/50/31/45/634503145.db2.gz HDNKMEDHGQSOKO-INIZCTEOSA-N 0 3 286.375 2.674 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001005900652 626448899 /nfs/dbraw/zinc/44/88/99/626448899.db2.gz HRBKWELTWJWWPS-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001005960105 626454546 /nfs/dbraw/zinc/45/45/46/626454546.db2.gz PQQWGWLSGRKJPO-AWEZNQCLSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCN(C(=O)N[C@H](C)C(C)(C)CC)C1CCN(C)CC1 ZINC000923203279 626456583 /nfs/dbraw/zinc/45/65/83/626456583.db2.gz BQJBPYXBUMFKPK-CQSZACIVSA-N 0 3 293.455 2.550 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001006217014 626480609 /nfs/dbraw/zinc/48/06/09/626480609.db2.gz BQSRALOCLAUGFG-DOTOQJQBSA-N 0 3 278.440 2.777 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nc21 ZINC000838805447 626505958 /nfs/dbraw/zinc/50/59/58/626505958.db2.gz JWXAKRCVBPDRKA-BYNQJWBRSA-N 0 3 295.342 2.615 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[nH]c21 ZINC000838805447 626505959 /nfs/dbraw/zinc/50/59/59/626505959.db2.gz JWXAKRCVBPDRKA-BYNQJWBRSA-N 0 3 295.342 2.615 20 30 CFEDHN CCOC(=O)CC(C)(C)CNCc1cc(C#N)ccc1F ZINC000838969550 626517597 /nfs/dbraw/zinc/51/75/97/626517597.db2.gz YIUOYKQYERGBCO-UHFFFAOYSA-N 0 3 292.354 2.766 20 30 CFEDHN COc1ccc(CN(C)[C@@H](C)CCC#N)cc1F ZINC000839460123 626536093 /nfs/dbraw/zinc/53/60/93/626536093.db2.gz YCCDZRMGCDBWHC-NSHDSACASA-N 0 3 250.317 2.958 20 30 CFEDHN CC[C@H]1CN(CCCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757103467 626545012 /nfs/dbraw/zinc/54/50/12/626545012.db2.gz CVIOCLNGVDFZAK-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN C#CCN(C[C@@H]1COc2ccccc2O1)C1CCCC1 ZINC000757419578 626551316 /nfs/dbraw/zinc/55/13/16/626551316.db2.gz WOSHOVHKMQRMPQ-OAHLLOKOSA-N 0 3 271.360 2.704 20 30 CFEDHN C#CCCCC(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000757833664 626564551 /nfs/dbraw/zinc/56/45/51/626564551.db2.gz DKGTWAMKCHNFGX-SFHVURJKSA-N 0 3 298.430 2.743 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1(C)CC1 ZINC000759417381 626655740 /nfs/dbraw/zinc/65/57/40/626655740.db2.gz BVJUQGJDXGCDPM-LLVKDONJSA-N 0 3 267.332 2.940 20 30 CFEDHN C#CCCCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000760145165 626716274 /nfs/dbraw/zinc/71/62/74/626716274.db2.gz OORSIAYKSWQMMC-UHFFFAOYSA-N 0 3 278.440 2.760 20 30 CFEDHN C=CC[C@H](C)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000760478209 626749377 /nfs/dbraw/zinc/74/93/77/626749377.db2.gz IXKWLOUQKFTZIL-QWHCGFSZSA-N 0 3 256.353 2.883 20 30 CFEDHN N#CCOc1ccc(CN2CC[C@H](C(F)F)C2)cc1 ZINC000761107375 626805218 /nfs/dbraw/zinc/80/52/18/626805218.db2.gz DYEYQBRHFXFDLO-LBPRGKRZSA-N 0 3 266.291 2.676 20 30 CFEDHN CC1(C)CC(N=Nc2ncccn2)CN1Cc1ccccc1 ZINC000761255970 626819039 /nfs/dbraw/zinc/81/90/39/626819039.db2.gz XEMWGTFEOYWDNS-UHFFFAOYSA-N 0 3 295.390 2.929 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCCCCC(C)=O)CC1 ZINC000764171642 627043484 /nfs/dbraw/zinc/04/34/84/627043484.db2.gz DKFOGMBOOASQNN-UHFFFAOYSA-N 0 3 294.439 2.683 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ncnc2ccsc21 ZINC000764835676 627099546 /nfs/dbraw/zinc/09/95/46/627099546.db2.gz PJQHULPCTQWMEX-VIFPVBQESA-N 0 3 287.392 2.573 20 30 CFEDHN N#Cc1ccc(OC2CCN(CCC(=O)C3CC3)CC2)cc1 ZINC000767371331 627246477 /nfs/dbraw/zinc/24/64/77/627246477.db2.gz UIMPEHXDCYEYLB-UHFFFAOYSA-N 0 3 298.386 2.771 20 30 CFEDHN C#CCOCCN1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000851859795 634562468 /nfs/dbraw/zinc/56/24/68/634562468.db2.gz BCIXJLCZFPQXDA-MRXNPFEDSA-N 0 3 289.350 2.513 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C[C@H]1C ZINC000769379589 627431967 /nfs/dbraw/zinc/43/19/67/627431967.db2.gz BWOBNKUTMDXHCQ-HUUCEWRRSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCOCCN[C@@H](C)c1ccccc1OC(C)C ZINC000851894786 634576613 /nfs/dbraw/zinc/57/66/13/634576613.db2.gz AZOPZINOGICQNG-AWEZNQCLSA-N 0 3 261.365 2.774 20 30 CFEDHN C#CCOCCNC1(c2ccc(Br)cc2)CC1 ZINC000851898272 634578603 /nfs/dbraw/zinc/57/86/03/634578603.db2.gz UTGLVDNLIFRELC-UHFFFAOYSA-N 0 3 294.192 2.678 20 30 CFEDHN CSC=CC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000771581878 627616236 /nfs/dbraw/zinc/61/62/36/627616236.db2.gz GLWWMQNKLMZWII-NMTCXDENSA-N 0 3 294.763 2.864 20 30 CFEDHN Cc1ccccc1[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000772928379 627759776 /nfs/dbraw/zinc/75/97/76/627759776.db2.gz NRGORTOSNZGFRS-KRWDZBQOSA-N 0 3 284.334 2.829 20 30 CFEDHN Cc1cccc([C@@H](O)CNCc2ccc(C#N)cc2F)c1 ZINC000772927370 627760002 /nfs/dbraw/zinc/76/00/02/627760002.db2.gz HBBQAERSTJWVIB-KRWDZBQOSA-N 0 3 284.334 2.829 20 30 CFEDHN CCOCCON=Cc1ccc(N(CC)CC)cc1 ZINC000774435657 627925723 /nfs/dbraw/zinc/92/57/23/627925723.db2.gz HRAVKPMAQYAPPO-UHFFFAOYSA-N 0 3 264.369 2.920 20 30 CFEDHN C#CCNC(=O)CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000775133152 627995504 /nfs/dbraw/zinc/99/55/04/627995504.db2.gz WHPYQAYTPWEAJA-OAHLLOKOSA-N 0 3 272.392 2.503 20 30 CFEDHN C#CCNC(=O)CN[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000775136125 627996442 /nfs/dbraw/zinc/99/64/42/627996442.db2.gz OCIQJDQMMAVTNP-OAHLLOKOSA-N 0 3 290.382 2.642 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1ccc(C)o1 ZINC000775230933 628001052 /nfs/dbraw/zinc/00/10/52/628001052.db2.gz BAIWQPPAQMZYLD-CQSZACIVSA-N 0 3 290.363 2.536 20 30 CFEDHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NCCC#N ZINC000775408012 628022350 /nfs/dbraw/zinc/02/23/50/628022350.db2.gz SVLCQGWXPQNZPZ-MRXNPFEDSA-N 0 3 287.407 2.702 20 30 CFEDHN C#C[C@@H](NC1CC(c2cccc(F)c2)C1)[C@H]1CCCO1 ZINC000775571137 628039014 /nfs/dbraw/zinc/03/90/14/628039014.db2.gz ASKCREHOSKOHKI-OKEQZYBDSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](N[C@H]1CCc2cc(C)ccc21)[C@H]1CCCO1 ZINC000775573916 628041516 /nfs/dbraw/zinc/04/15/16/628041516.db2.gz LHNRCHOBFJSYDH-YESZJQIVSA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@@H]1CCc2cc(C)ccc21)[C@H]1CCCO1 ZINC000775573914 628041577 /nfs/dbraw/zinc/04/15/77/628041577.db2.gz LHNRCHOBFJSYDH-GVDBMIGSSA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@@H]1CCCc2cc(OC)ccc21)[C@H]1CCCO1 ZINC000775573692 628041747 /nfs/dbraw/zinc/04/17/47/628041747.db2.gz JFPAHUGGUPUOEF-RCCFBDPRSA-N 0 3 285.387 2.843 20 30 CFEDHN C#C[C@H](N[C@H]1Cc2ccc(Cl)cc2C1)[C@@H]1CCCO1 ZINC000775575477 628042486 /nfs/dbraw/zinc/04/24/86/628042486.db2.gz XMHPDCBJPHRCSJ-JYJNAYRXSA-N 0 3 275.779 2.578 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)[C@@H]1CCCO1 ZINC000775575354 628042552 /nfs/dbraw/zinc/04/25/52/628042552.db2.gz WAKYZHLJGKCGTC-WBAXXEDZSA-N 0 3 295.386 2.704 20 30 CFEDHN C#CC[N@@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC000775662937 628051242 /nfs/dbraw/zinc/05/12/42/628051242.db2.gz WYBVRQMUELVRNO-UHFFFAOYSA-N 0 3 282.181 2.918 20 30 CFEDHN C#CC[N@H+](CC)Cc1cc(Br)cc(C)c1[O-] ZINC000775662937 628051245 /nfs/dbraw/zinc/05/12/45/628051245.db2.gz WYBVRQMUELVRNO-UHFFFAOYSA-N 0 3 282.181 2.918 20 30 CFEDHN C#C[C@@H](NCc1c(C)cc(C)cc1C)[C@H]1CCCO1 ZINC000775784561 628067599 /nfs/dbraw/zinc/06/75/99/628067599.db2.gz KEGXQNKVHKWLFC-IAGOWNOFSA-N 0 3 257.377 2.882 20 30 CFEDHN C#C[C@H](NCCSc1ccccc1)[C@@H]1CCCO1 ZINC000775799891 628069796 /nfs/dbraw/zinc/06/97/96/628069796.db2.gz NKIASLSVJVGPJU-GJZGRUSLSA-N 0 3 261.390 2.549 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1 ZINC000776177342 628111917 /nfs/dbraw/zinc/11/19/17/628111917.db2.gz MXSKLWIWCKRESW-UHFFFAOYSA-N 0 3 285.307 2.502 20 30 CFEDHN Cc1ncsc1C=CC([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000777292030 628212483 /nfs/dbraw/zinc/21/24/83/628212483.db2.gz DXJNZMIOLZLORI-QMAVJUDZSA-N 0 3 298.371 2.748 20 30 CFEDHN Cc1ncsc1C=CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000777292030 628212485 /nfs/dbraw/zinc/21/24/85/628212485.db2.gz DXJNZMIOLZLORI-QMAVJUDZSA-N 0 3 298.371 2.748 20 30 CFEDHN COC[C@@H](C)NN=Cc1ccc(N2CCCCC2)cc1 ZINC000777901149 628262979 /nfs/dbraw/zinc/26/29/79/628262979.db2.gz ANGVNKKTPWOUOV-CQSZACIVSA-N 0 3 275.396 2.635 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC1CCOCC1 ZINC000778158408 628281563 /nfs/dbraw/zinc/28/15/63/628281563.db2.gz LZXSIVZJQFJBFO-UHFFFAOYSA-N 0 3 279.767 2.621 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC1(O)CCCC1 ZINC000778169879 628282881 /nfs/dbraw/zinc/28/28/81/628282881.db2.gz FNRDTVVADWVFLT-UHFFFAOYSA-N 0 3 293.794 2.747 20 30 CFEDHN CC[C@H](C(=O)C(C#N)c1nc(C)cs1)N(CC)CC ZINC000778595469 628318759 /nfs/dbraw/zinc/31/87/59/628318759.db2.gz OXZFCGFUOSNYFN-VXGBXAGGSA-N 0 3 279.409 2.748 20 30 CFEDHN C#CCOCCN(C)Cc1cccc(Br)c1 ZINC000778955190 628341224 /nfs/dbraw/zinc/34/12/24/628341224.db2.gz NPRQKWZJOIOEKE-UHFFFAOYSA-N 0 3 282.181 2.531 20 30 CFEDHN COc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1C#N ZINC000779104608 628353084 /nfs/dbraw/zinc/35/30/84/628353084.db2.gz VVDPAXPOGWEOCV-UHFFFAOYSA-N 0 3 286.306 2.701 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000852097972 634651794 /nfs/dbraw/zinc/65/17/94/634651794.db2.gz BJMOARXVOWSGIC-BLLLJJGKSA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000852098052 634651957 /nfs/dbraw/zinc/65/19/57/634651957.db2.gz DLYPLZCJJMSSLD-MSOLQXFVSA-N 0 3 286.419 2.891 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000852098775 634653106 /nfs/dbraw/zinc/65/31/06/634653106.db2.gz VSGQRHUKTUFFJS-DYVFJYSZSA-N 0 3 290.382 2.564 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000852098847 634653210 /nfs/dbraw/zinc/65/32/10/634653210.db2.gz XPXFNKOBNIKNMK-PKOBYXMFSA-N 0 3 298.430 2.914 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000852099118 634653242 /nfs/dbraw/zinc/65/32/42/634653242.db2.gz FEQAFEITQYIXGK-RVKKMQEKSA-N 0 3 286.419 2.952 20 30 CFEDHN CN1CCc2cc(C=NN[C@@H]3CCOC(C)(C)C3)ccc21 ZINC000780248683 628444737 /nfs/dbraw/zinc/44/47/37/628444737.db2.gz CUIJUEFNUQZZSN-OAHLLOKOSA-N 0 3 287.407 2.560 20 30 CFEDHN C#CCCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000780306648 628453743 /nfs/dbraw/zinc/45/37/43/628453743.db2.gz ZGSAGWCSJMIUFE-INIZCTEOSA-N 0 3 296.370 2.595 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)NC1(c2ccccc2)CCC1 ZINC000852102897 634657252 /nfs/dbraw/zinc/65/72/52/634657252.db2.gz SLVTWPWQUJHCCH-QGZVFWFLSA-N 0 3 284.403 2.574 20 30 CFEDHN C#C[C@@](C)(CC)NC[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000852103339 634658022 /nfs/dbraw/zinc/65/80/22/634658022.db2.gz DXJVUOAPHRBJET-ZBFHGGJFSA-N 0 3 278.396 2.531 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(C#N)cc1F ZINC000781424836 628547606 /nfs/dbraw/zinc/54/76/06/628547606.db2.gz ZUELCFILIVDMME-LLVKDONJSA-N 0 3 262.353 2.714 20 30 CFEDHN C[C@H](C1CC1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000782180446 628610307 /nfs/dbraw/zinc/61/03/07/628610307.db2.gz GITDAMJLEVNWEO-GFCCVEGCSA-N 0 3 273.355 2.618 20 30 CFEDHN CC(C)CO[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000783299533 628698465 /nfs/dbraw/zinc/69/84/65/628698465.db2.gz DJLWUSYUTQCRIC-HZPDHXFCSA-N 0 3 287.407 2.883 20 30 CFEDHN C[C@H](Cc1ccccc1F)NCc1ccc(C#N)cn1 ZINC000783300503 628698725 /nfs/dbraw/zinc/69/87/25/628698725.db2.gz NWOUPKZPEJAMGL-GFCCVEGCSA-N 0 3 269.323 2.813 20 30 CFEDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(C#N)cn2)c1 ZINC000783300197 628699070 /nfs/dbraw/zinc/69/90/70/628699070.db2.gz KDMNKLSNZUGLPH-GFCCVEGCSA-N 0 3 267.332 2.818 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCOC(F)F ZINC000852192977 634684721 /nfs/dbraw/zinc/68/47/21/634684721.db2.gz WJUARSYEGGPUOF-SNVBAGLBSA-N 0 3 254.280 2.790 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000785998264 628929541 /nfs/dbraw/zinc/92/95/41/628929541.db2.gz BDMFAKKPTCZKEE-CVEARBPZSA-N 0 3 256.349 2.632 20 30 CFEDHN CC(C)(C#N)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000786324584 628948120 /nfs/dbraw/zinc/94/81/20/628948120.db2.gz FEKZLUZBZMWGJF-JTQLQIEISA-N 0 3 267.288 2.944 20 30 CFEDHN CC(C)(C#N)CC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000786421662 628955468 /nfs/dbraw/zinc/95/54/68/628955468.db2.gz ZJZPWVZRSTWNBL-HNNXBMFYSA-N 0 3 286.375 2.744 20 30 CFEDHN CC[C@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534323 628966705 /nfs/dbraw/zinc/96/67/05/628966705.db2.gz KASWBDMMMXEJHP-GWCFXTLKSA-N 0 3 292.766 2.711 20 30 CFEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786539460 628967194 /nfs/dbraw/zinc/96/71/94/628967194.db2.gz IPYXYYOKVFUTAS-UKRRQHHQSA-N 0 3 286.375 2.756 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC2CCC2)c1 ZINC000786538568 628967277 /nfs/dbraw/zinc/96/72/77/628967277.db2.gz GCZAHOFBIUJLON-INIZCTEOSA-N 0 3 298.386 2.900 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCCC(C)(C)C ZINC000805855513 629038873 /nfs/dbraw/zinc/03/88/73/629038873.db2.gz JRBJBFOWRBXEAF-GFCCVEGCSA-N 0 3 264.369 2.604 20 30 CFEDHN COc1cc(N=NC2C[C@H](C)N(C)C2)ccc1Cl ZINC000788472766 629072453 /nfs/dbraw/zinc/07/24/53/629072453.db2.gz YVGIQKKCGNJSEZ-VIFPVBQESA-N 0 3 267.760 2.841 20 30 CFEDHN C(CC1CCOCC1)=Nn1cnnc1-c1ccccc1 ZINC000788709289 629093926 /nfs/dbraw/zinc/09/39/26/629093926.db2.gz QIQACXNMFGPIQK-UHFFFAOYSA-N 0 3 270.336 2.596 20 30 CFEDHN C#CCCCN1CCN(c2ccccc2F)C[C@@H]1C ZINC000789498896 629162363 /nfs/dbraw/zinc/16/23/63/629162363.db2.gz UOLAIZQFUOMRTR-AWEZNQCLSA-N 0 3 260.356 2.750 20 30 CFEDHN C#C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000805902176 629184069 /nfs/dbraw/zinc/18/40/69/629184069.db2.gz KROJXUVVAYYUFX-GOSISDBHSA-N 0 3 297.398 2.854 20 30 CFEDHN Cc1cc(C)cc([C@@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000852319063 634718707 /nfs/dbraw/zinc/71/87/07/634718707.db2.gz GHCSMHJIPBDFDV-RDJZCZTQSA-N 0 3 272.392 2.963 20 30 CFEDHN CC(C)(C)OC(=O)NCCCN1CCC[C@@H](CC#N)C1 ZINC000852319320 634719938 /nfs/dbraw/zinc/71/99/38/634719938.db2.gz KCCXRFVWJMWNFW-ZDUSSCGKSA-N 0 3 281.400 2.527 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC2(C)CCOCC2)nc(C)n1 ZINC000835061272 629365089 /nfs/dbraw/zinc/36/50/89/629365089.db2.gz YHOFWLMETRWWAR-NNTXTVRGSA-N 0 3 299.374 2.643 20 30 CFEDHN C#Cc1ccc(CN(C)CCNC(=O)OC(C)(C)C)cc1 ZINC000835077949 629375004 /nfs/dbraw/zinc/37/50/04/629375004.db2.gz XWTKIJWTXJBEMR-UHFFFAOYSA-N 0 3 288.391 2.624 20 30 CFEDHN C[C@@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1cccc(C#N)c1 ZINC000792276647 629416174 /nfs/dbraw/zinc/41/61/74/629416174.db2.gz NWSOEKUXXOKAIT-IUODEOHRSA-N 0 3 284.359 2.695 20 30 CFEDHN C#CCC(C)(C)COC(=O)c1cccc(CN(C)C)c1 ZINC000835280247 629591245 /nfs/dbraw/zinc/59/12/45/629591245.db2.gz PFDMXDSLTPVOKT-UHFFFAOYSA-N 0 3 273.376 2.955 20 30 CFEDHN CC[C@H]1CCN1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000793825395 629598605 /nfs/dbraw/zinc/59/86/05/629598605.db2.gz YLUUUQSTIWDSDF-HNNXBMFYSA-N 0 3 281.363 2.567 20 30 CFEDHN C[C@H]1c2ccccc2C[C@H]1NC[C@@H](C#N)CCC#N ZINC000852467281 634752492 /nfs/dbraw/zinc/75/24/92/634752492.db2.gz BWAKUKVPVWNMBA-WOSRLPQWSA-N 0 3 253.349 2.748 20 30 CFEDHN C#CC(C)(C)N(C)C[C@@H](O)c1ccccc1Br ZINC000794574211 629663243 /nfs/dbraw/zinc/66/32/43/629663243.db2.gz BVQXQLIZXLCRJA-CYBMUJFWSA-N 0 3 296.208 2.826 20 30 CFEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796803178 629969640 /nfs/dbraw/zinc/96/96/40/629969640.db2.gz QIIWKRMBAGCGLU-XHSDSOJGSA-N 0 3 296.370 2.558 20 30 CFEDHN N#Cc1cccc(C2(NC/C=C\Cl)CCOCC2)c1 ZINC000852567165 634782508 /nfs/dbraw/zinc/78/25/08/634782508.db2.gz YQULSGKBUSUZLL-UQCOIBPSSA-N 0 3 276.767 2.906 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000797862872 630114391 /nfs/dbraw/zinc/11/43/91/630114391.db2.gz MJIJKSDKMTVKEU-LBPRGKRZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C1CCN(CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000797963128 630133843 /nfs/dbraw/zinc/13/38/43/630133843.db2.gz ODYVACKQXKOEHV-UHFFFAOYSA-N 0 3 268.401 2.895 20 30 CFEDHN C#CC[C@@H](NC[C@@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799314609 630296713 /nfs/dbraw/zinc/29/67/13/630296713.db2.gz MGFMDAIPXVCGSP-NVXWUHKLSA-N 0 3 284.334 2.608 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC[C@@](O)(c2ccccc2)C(F)(F)F)C1 ZINC000799717467 630338450 /nfs/dbraw/zinc/33/84/50/630338450.db2.gz GJYXIBOZQVXGJK-MRVWCRGKSA-N 0 3 298.308 2.718 20 30 CFEDHN C#C[C@H](NCCSC1CCCCC1)[C@@H]1CCCO1 ZINC000800374415 630375153 /nfs/dbraw/zinc/37/51/53/630375153.db2.gz JBOZYZJDIDGJDN-GJZGRUSLSA-N 0 3 267.438 2.823 20 30 CFEDHN C=C(C)[C@@H](CO)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000801596057 630461135 /nfs/dbraw/zinc/46/11/35/630461135.db2.gz NNIVVLRMCZRDLC-OAHLLOKOSA-N 0 3 263.381 2.931 20 30 CFEDHN C=C(C)[C@@H](CO)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000801596057 630461138 /nfs/dbraw/zinc/46/11/38/630461138.db2.gz NNIVVLRMCZRDLC-OAHLLOKOSA-N 0 3 263.381 2.931 20 30 CFEDHN C[C@H](C#N)OCCN(Cc1cccc(F)c1)C1CC1 ZINC000801913318 630485929 /nfs/dbraw/zinc/48/59/29/630485929.db2.gz SPWNEGXVFSMAAS-GFCCVEGCSA-N 0 3 262.328 2.719 20 30 CFEDHN Cc1cccnc1[C@H](NCCO[C@@H](C)C#N)C(C)C ZINC000801933237 630490746 /nfs/dbraw/zinc/49/07/46/630490746.db2.gz LQUWUPQUSKFVNN-UONOGXRCSA-N 0 3 261.369 2.605 20 30 CFEDHN CC[C@H]1CN(c2ccccc2)CCN1CCO[C@H](C)C#N ZINC000801941057 630492686 /nfs/dbraw/zinc/49/26/86/630492686.db2.gz HYIMDALPMCZVFY-CVEARBPZSA-N 0 3 287.407 2.516 20 30 CFEDHN Cc1cc(C)c2c(c1)CN(CCO[C@H](C)C#N)CC2 ZINC000801943857 630493677 /nfs/dbraw/zinc/49/36/77/630493677.db2.gz JZEAIQBCBUFIKY-CQSZACIVSA-N 0 3 258.365 2.590 20 30 CFEDHN CCc1ccccc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC(C)C ZINC000802042687 630499485 /nfs/dbraw/zinc/49/94/85/630499485.db2.gz VAHMBSVIQVTZJL-XHSDSOJGSA-N 0 3 298.386 2.586 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CC(C)(C)C2)c1 ZINC000802797208 630548965 /nfs/dbraw/zinc/54/89/65/630548965.db2.gz QXMQIGJLAKBLBY-OAHLLOKOSA-N 0 3 298.386 2.756 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(SC)cc1 ZINC000852752536 634826075 /nfs/dbraw/zinc/82/60/75/634826075.db2.gz BQGYOXOGEFEHFN-UHFFFAOYSA-N 0 3 263.406 2.880 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1CCC ZINC000804457331 630683743 /nfs/dbraw/zinc/68/37/43/630683743.db2.gz SPKYPAJSJFISIJ-MSOLQXFVSA-N 0 3 298.430 2.612 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1CCC(C)C ZINC000836488789 630832800 /nfs/dbraw/zinc/83/28/00/630832800.db2.gz NXKRNVNNFCVWKE-INIZCTEOSA-N 0 3 293.455 2.552 20 30 CFEDHN C=CCc1cc(OCC)cc(CN2CC[C@H]2COC)c1O ZINC000840084929 630862821 /nfs/dbraw/zinc/86/28/21/630862821.db2.gz YPOMGBQJYKBZCX-HNNXBMFYSA-N 0 3 291.391 2.740 20 30 CFEDHN C[C@@H]1CC(=NNC2=N[C@@H]3CCCC[C@H]3N2)c2ccccc21 ZINC000807981085 630929899 /nfs/dbraw/zinc/92/98/99/630929899.db2.gz CCXKRTIEZAVWEH-KCPJHIHWSA-N 0 3 282.391 2.758 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC000837361784 631013159 /nfs/dbraw/zinc/01/31/59/631013159.db2.gz ULBDLOOGWJXUPM-WBVHZDCISA-N 0 3 298.430 2.988 20 30 CFEDHN C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714985 631033934 /nfs/dbraw/zinc/03/39/34/631033934.db2.gz RCYADWQDYKKVGX-CMPLNLGQSA-N 0 3 269.772 2.942 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC000837464862 631037976 /nfs/dbraw/zinc/03/79/76/631037976.db2.gz LMKFXLFITFCFJI-WBVHZDCISA-N 0 3 298.430 2.815 20 30 CFEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C#CC1CC1 ZINC000837538370 631060202 /nfs/dbraw/zinc/06/02/02/631060202.db2.gz PKLBQFBFGFMGNH-GOSISDBHSA-N 0 3 298.430 2.673 20 30 CFEDHN C=C(C)CNC(=S)N(CCN(C)C)Cc1ccsc1 ZINC000840846401 631240600 /nfs/dbraw/zinc/24/06/00/631240600.db2.gz HDIGQTHXGGBJEX-UHFFFAOYSA-N 0 3 297.493 2.562 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809583849 631241714 /nfs/dbraw/zinc/24/17/14/631241714.db2.gz RKHCDFAUMLTBNR-MRXNPFEDSA-N 0 3 285.387 2.832 20 30 CFEDHN C#C[C@H](NCc1ccc(C(=O)NC2CC2)cc1)C(C)(C)C ZINC000809781549 631287949 /nfs/dbraw/zinc/28/79/49/631287949.db2.gz VZKBVJVQDDKKIS-INIZCTEOSA-N 0 3 284.403 2.716 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1cnn(CC)n1 ZINC000840971358 631289821 /nfs/dbraw/zinc/28/98/21/631289821.db2.gz LUFYDNXPCWBCTI-OAHLLOKOSA-N 0 3 270.380 2.575 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1nn(CC)nc1C ZINC000840972091 631290102 /nfs/dbraw/zinc/29/01/02/631290102.db2.gz YEYOUTXLHKBRLH-MRXNPFEDSA-N 0 3 284.407 2.883 20 30 CFEDHN C#Cc1ccccc1CC(=O)Nc1cccc(CN(C)C)c1 ZINC000810099593 631324489 /nfs/dbraw/zinc/32/44/89/631324489.db2.gz LXDUYMVOOOMTDV-UHFFFAOYSA-N 0 3 292.382 2.911 20 30 CFEDHN C#Cc1ccccc1CC(=O)Nc1ccccc1CN(C)C ZINC000810098269 631324753 /nfs/dbraw/zinc/32/47/53/631324753.db2.gz PJWJSLBPNDXICG-UHFFFAOYSA-N 0 3 292.382 2.911 20 30 CFEDHN C=CCN(C(=O)Nc1ccc2c(c1)CNC2)C(C)C ZINC000841332048 631386945 /nfs/dbraw/zinc/38/69/45/631386945.db2.gz LRZYGRHBUHUWIA-UHFFFAOYSA-N 0 3 259.353 2.718 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NN[C@H](CO)c1ccccc1 ZINC000841634995 631438681 /nfs/dbraw/zinc/43/86/81/631438681.db2.gz AKCOEEZLEYAEJB-GOSISDBHSA-N 0 3 297.402 2.718 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000811811467 631626028 /nfs/dbraw/zinc/62/60/28/631626028.db2.gz CHUMRKLNIWCCBF-BXUZGUMPSA-N 0 3 283.375 2.798 20 30 CFEDHN CCOC(=O)c1ccc(N=NC2C[C@H](C)N(C)C2)cc1C ZINC000812230012 631671469 /nfs/dbraw/zinc/67/14/69/631671469.db2.gz RVTVGOIPWQVRKP-LBPRGKRZSA-N 0 3 289.379 2.664 20 30 CFEDHN C#Cc1ccc(CNCc2ccc3cnn(C)c3c2)cc1 ZINC000812770455 631769920 /nfs/dbraw/zinc/76/99/20/631769920.db2.gz LOXKPICCIQSHDS-UHFFFAOYSA-N 0 3 275.355 2.844 20 30 CFEDHN N#CC(C(=O)CCCC1CC1)C(=O)NCc1ccccc1 ZINC000813060057 631822410 /nfs/dbraw/zinc/82/24/10/631822410.db2.gz ONDVQTOACQBVQQ-HNNXBMFYSA-N 0 3 284.359 2.592 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCCC#N)c1ccccc1 ZINC000813091327 631833134 /nfs/dbraw/zinc/83/31/34/631833134.db2.gz WBCQAUUPEFYZBZ-CABCVRRESA-N 0 3 297.358 2.657 20 30 CFEDHN CO[C@H](C(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000813219028 631882570 /nfs/dbraw/zinc/88/25/70/631882570.db2.gz VMNZSCJNYZZTGB-MFKMUULPSA-N 0 3 298.264 2.702 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)CCCO1 ZINC000813216437 631883199 /nfs/dbraw/zinc/88/31/99/631883199.db2.gz RPZLCVVATVODKL-GWCFXTLKSA-N 0 3 298.264 2.846 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2nn(C)c3ccccc23)C1 ZINC000843423491 631952522 /nfs/dbraw/zinc/95/25/22/631952522.db2.gz FQWYLUFRVRWTLN-AWEZNQCLSA-N 0 3 267.376 2.809 20 30 CFEDHN C#CC1CCN(Cc2cc(CC=C)c(O)c(OC)c2)CC1 ZINC000843426735 631954363 /nfs/dbraw/zinc/95/43/63/631954363.db2.gz IPJNGYRFOAMPAC-UHFFFAOYSA-N 0 3 285.387 2.975 20 30 CFEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(C)cs1 ZINC000156247427 650049707 /nfs/dbraw/zinc/04/97/07/650049707.db2.gz LYMIKFPOLRGTDC-DTWKUNHWSA-N 0 3 254.380 2.769 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000814420213 632061824 /nfs/dbraw/zinc/06/18/24/632061824.db2.gz SCRJPQCNUYGOGT-INIZCTEOSA-N 0 3 284.419 2.917 20 30 CFEDHN C=C[C@@H](C)ON=Cc1ccc(N(CC)CCO)cc1C ZINC000844624323 632267787 /nfs/dbraw/zinc/26/77/87/632267787.db2.gz LHDWVQIWUCQREH-CQSZACIVSA-N 0 3 276.380 2.739 20 30 CFEDHN N#CC1(CC(=O)O[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000816011924 632353385 /nfs/dbraw/zinc/35/33/85/632353385.db2.gz CSNWOOJBFCOGLT-INIZCTEOSA-N 0 3 298.386 2.888 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000845443904 632436270 /nfs/dbraw/zinc/43/62/70/632436270.db2.gz WJGZSTOJBKXXPR-GWCFXTLKSA-N 0 3 292.766 2.677 20 30 CFEDHN C=C[C@H](C)ONC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000845615686 632485709 /nfs/dbraw/zinc/48/57/09/632485709.db2.gz BPBCUALAXISNCY-AGIUHOORSA-N 0 3 295.383 2.514 20 30 CFEDHN C[C@@]1(CCNCc2nc(C#N)cs2)C[C@@]1(F)Cl ZINC000846041426 632621550 /nfs/dbraw/zinc/62/15/50/632621550.db2.gz ZVBCWHQTUGEEQN-MNOVXSKESA-N 0 3 273.764 2.809 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CC2 ZINC000817714825 632690237 /nfs/dbraw/zinc/69/02/37/632690237.db2.gz XLQIHQGAELUIAV-MNOVXSKESA-N 0 3 265.316 2.550 20 30 CFEDHN C=C(C)CONC(=O)c1oc2ccccc2c1CN(C)C ZINC000846538255 632727736 /nfs/dbraw/zinc/72/77/36/632727736.db2.gz GWPNPKPFWNOCQF-UHFFFAOYSA-N 0 3 288.347 2.732 20 30 CFEDHN CCC(C#N)C(=O)N=c1ccccn1Cc1ccc(C)cc1 ZINC000846632109 632763909 /nfs/dbraw/zinc/76/39/09/632763909.db2.gz VJVGGMUWGMMNHK-MRXNPFEDSA-N 0 3 293.370 2.822 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCC#N)c1ccc2ccccc2c1 ZINC000818047111 632792399 /nfs/dbraw/zinc/79/23/99/632792399.db2.gz KKJGVTNLZXWVQA-INIZCTEOSA-N 0 3 281.359 2.824 20 30 CFEDHN CCOC(CN(CC)Cc1ccc(CC#N)cc1)OCC ZINC000846976046 632865159 /nfs/dbraw/zinc/86/51/59/632865159.db2.gz SKZHKVAGYIQEST-UHFFFAOYSA-N 0 3 290.407 2.974 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1coc2ccc(CC)cc21 ZINC000818592811 632875194 /nfs/dbraw/zinc/87/51/94/632875194.db2.gz ACVRMELKZFCCFZ-UHFFFAOYSA-N 0 3 298.386 2.680 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000818596007 632876794 /nfs/dbraw/zinc/87/67/94/632876794.db2.gz YTLBBRGVFVLDLP-WKILWMFISA-N 0 3 278.440 2.520 20 30 CFEDHN C#CCN(C)CCCNC(=O)C(C)(C)C1CCCCC1 ZINC000818606010 632877238 /nfs/dbraw/zinc/87/72/38/632877238.db2.gz ATWRWTOYRKEQSX-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ncc(C)c(OC)c2C)C1 ZINC000847022754 632889749 /nfs/dbraw/zinc/88/97/49/632889749.db2.gz JOKWKHBMYQKFRI-AWEZNQCLSA-N 0 3 258.365 2.552 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ncc(C)c(OC)c2C)C1 ZINC000847022900 632889769 /nfs/dbraw/zinc/88/97/69/632889769.db2.gz JOKWKHBMYQKFRI-CQSZACIVSA-N 0 3 258.365 2.552 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000847032875 632895849 /nfs/dbraw/zinc/89/58/49/632895849.db2.gz VRLFYNAWWVCRON-HNNXBMFYSA-N 0 3 277.371 2.989 20 30 CFEDHN C=CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccncc1 ZINC000819073046 632952050 /nfs/dbraw/zinc/95/20/50/632952050.db2.gz ASHVORSDXHLCHV-NEPJUHHUSA-N 0 3 274.286 2.602 20 30 CFEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1 ZINC000848398179 633248641 /nfs/dbraw/zinc/24/86/41/633248641.db2.gz DOXJIUGOTJAFLB-AWEZNQCLSA-N 0 3 291.370 2.588 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCC1CCCCCCC1 ZINC000848397900 633249053 /nfs/dbraw/zinc/24/90/53/633249053.db2.gz OJKHJGLHSILHRC-OAHLLOKOSA-N 0 3 279.428 2.874 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@@H](C)N)nn1 ZINC000849150697 633568534 /nfs/dbraw/zinc/56/85/34/633568534.db2.gz OLLKJJHDZSVLNB-TZMCWYRMSA-N 0 3 256.353 2.658 20 30 CFEDHN C[C@H](N[C@H]1CCCn2nccc21)c1ccc(OCC#N)cc1 ZINC000850443355 633995414 /nfs/dbraw/zinc/99/54/14/633995414.db2.gz QNKPOIFTQCPFRT-BBRMVZONSA-N 0 3 296.374 2.971 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC2(CC2)C1 ZINC000850759929 634081429 /nfs/dbraw/zinc/08/14/29/634081429.db2.gz OZZQQTNQSOSRQF-CYBMUJFWSA-N 0 3 268.316 2.524 20 30 CFEDHN C[C@H](CC#N)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000850906447 634132928 /nfs/dbraw/zinc/13/29/28/634132928.db2.gz KBSQCWLCQRNWMS-CYBMUJFWSA-N 0 3 290.363 2.585 20 30 CFEDHN C[N@H+](CCOc1ccccc1C#N)Cc1ccccc1[O-] ZINC000109770465 634233066 /nfs/dbraw/zinc/23/30/66/634233066.db2.gz VDTJHYUNZMFWTB-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1[O-] ZINC000109770465 634233071 /nfs/dbraw/zinc/23/30/71/634233071.db2.gz VDTJHYUNZMFWTB-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C#CCCCOc1cccnc1N[C@H]1CCN(C2CC2)C1 ZINC000853232040 634946857 /nfs/dbraw/zinc/94/68/57/634946857.db2.gz QIBJWZCHSXWARQ-AWEZNQCLSA-N 0 3 285.391 2.522 20 30 CFEDHN C=C(C)CON=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853369084 634985230 /nfs/dbraw/zinc/98/52/30/634985230.db2.gz GXROPWJAKDXJBE-UHFFFAOYSA-N 0 3 274.364 2.574 20 30 CFEDHN C[C@H]1CCCCN1N=Cc1ccc2c(c1)CCN2C ZINC000853379220 634987364 /nfs/dbraw/zinc/98/73/64/634987364.db2.gz HDKDPIGQRHWXHE-ZDUSSCGKSA-N 0 3 257.381 2.887 20 30 CFEDHN C[C@@H]1CCCN1CCNc1nc(C#N)c(Cl)s1 ZINC000853389889 634990632 /nfs/dbraw/zinc/99/06/32/634990632.db2.gz CUDLOTKEBZJZCX-MRVPVSSYSA-N 0 3 270.789 2.564 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1cc(F)cc(Cl)c1 ZINC000853397178 634993939 /nfs/dbraw/zinc/99/39/39/634993939.db2.gz XQOXLBJQVGIQLU-QMMMGPOBSA-N 0 3 255.724 2.829 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)CC12CCCC2 ZINC000853598175 635045719 /nfs/dbraw/zinc/04/57/19/635045719.db2.gz NFMJVYSUJDIUTK-OKILXGFUSA-N 0 3 260.381 2.672 20 30 CFEDHN CC(C)[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000853642966 635058092 /nfs/dbraw/zinc/05/80/92/635058092.db2.gz OITURQIFIZSYDV-AWEZNQCLSA-N 0 3 276.380 2.918 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000854664124 635358787 /nfs/dbraw/zinc/35/87/87/635358787.db2.gz NHEKEINJZUJAJB-QAQDUYKDSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCC1(NC(=O)CN(C)CCCCCC)CCOCC1 ZINC000855686035 635617018 /nfs/dbraw/zinc/61/70/18/635617018.db2.gz QYBLORSGXXLMRT-UHFFFAOYSA-N 0 3 296.455 2.740 20 30 CFEDHN C=CCCONC(=O)c1cccc(CN2CCCC2)c1 ZINC000856030964 635706223 /nfs/dbraw/zinc/70/62/23/635706223.db2.gz YRJKRQMKOJXYAR-UHFFFAOYSA-N 0 3 274.364 2.520 20 30 CFEDHN Cc1ccc(O[C@H]2CCN([C@@H](C)CCC#N)C2)nc1 ZINC000858042176 636118260 /nfs/dbraw/zinc/11/82/60/636118260.db2.gz XAEFVWOWMHNQLS-KBPBESRZSA-N 0 3 259.353 2.535 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H]2C[C@]2(C)OCC)cc1 ZINC000858257532 636167814 /nfs/dbraw/zinc/16/78/14/636167814.db2.gz OGCZNMJYVYMKOQ-SJORKVTESA-N 0 3 273.376 2.746 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(SC)c(OC)c1 ZINC000858335768 636196738 /nfs/dbraw/zinc/19/67/38/636196738.db2.gz GQGBJDWRQBSUFA-ZDUSSCGKSA-N 0 3 279.405 2.545 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(SC)c(OC)c1 ZINC000858335767 636197543 /nfs/dbraw/zinc/19/75/43/636197543.db2.gz GQGBJDWRQBSUFA-CYBMUJFWSA-N 0 3 279.405 2.545 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015557227 651203497 /nfs/dbraw/zinc/20/34/97/651203497.db2.gz OHVFGMYIYLVDSQ-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C#CCCOC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000858875313 636366814 /nfs/dbraw/zinc/36/68/14/636366814.db2.gz YOEDHKDMMZMKNE-NVXWUHKLSA-N 0 3 298.386 2.763 20 30 CFEDHN C#CCN(C)CCCNC(=O)OCc1ccc(Cl)cc1 ZINC000859172001 636485061 /nfs/dbraw/zinc/48/50/61/636485061.db2.gz JRUKVYVHZWQINC-UHFFFAOYSA-N 0 3 294.782 2.521 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860463569 636891376 /nfs/dbraw/zinc/89/13/76/636891376.db2.gz DSGXOVXVXPKDMX-CHWSQXEVSA-N 0 3 290.363 2.788 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C34CC(C3)C4)nc21 ZINC000860557167 636910557 /nfs/dbraw/zinc/91/05/57/636910557.db2.gz UFQJPOHONLVUBG-NOEPWBJOSA-N 0 3 265.316 2.848 20 30 CFEDHN CCCCCCCNC(=O)Nc1ccnn1CCN(C)C ZINC000861147452 637099785 /nfs/dbraw/zinc/09/97/85/637099785.db2.gz RNRFXNFCJASHCF-UHFFFAOYSA-N 0 3 295.431 2.537 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC)c(OC2CC2)c1 ZINC000862363332 637335071 /nfs/dbraw/zinc/33/50/71/637335071.db2.gz MZBQMTDLDLSSLV-CYBMUJFWSA-N 0 3 259.349 2.738 20 30 CFEDHN C#CC[C@H]1CCN(Cc2nc3ccccc3n2CC)C1 ZINC000862443785 637383963 /nfs/dbraw/zinc/38/39/63/637383963.db2.gz UCPIYVQOYWWOPZ-AWEZNQCLSA-N 0 3 267.376 2.901 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000862446776 637387181 /nfs/dbraw/zinc/38/71/81/637387181.db2.gz DMSSHWDJQDMRLC-CYBMUJFWSA-N 0 3 257.381 2.619 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000862447288 637388102 /nfs/dbraw/zinc/38/81/02/637388102.db2.gz LCYRIDIBMMFOJE-GFCCVEGCSA-N 0 3 291.778 2.972 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccnn2CCc2ccccc2)C1 ZINC000862447253 637388169 /nfs/dbraw/zinc/38/81/69/637388169.db2.gz KOLGOCSGGIFVTL-GOSISDBHSA-N 0 3 293.414 2.971 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015810095 651214814 /nfs/dbraw/zinc/21/48/14/651214814.db2.gz ZWMJYDONCVENKO-LLVKDONJSA-N 0 3 298.839 2.711 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1ccc2c(c1)CCO2 ZINC000863158700 637573076 /nfs/dbraw/zinc/57/30/76/637573076.db2.gz MPWXCQXGWWFCAP-UHFFFAOYSA-N 0 3 267.332 2.583 20 30 CFEDHN COc1cc(C)c(C(C)=NNc2ccnc(C)c2)cc1OC ZINC000863158417 637573183 /nfs/dbraw/zinc/57/31/83/637573183.db2.gz AQTKUZWXNXOPRD-UHFFFAOYSA-N 0 3 299.374 2.974 20 30 CFEDHN Cc1cc(NN=C2CCc3cccc(C)c32)ccn1 ZINC000863160394 637575181 /nfs/dbraw/zinc/57/51/81/637575181.db2.gz BYHQTOVUYDDYER-UHFFFAOYSA-N 0 3 251.333 2.883 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2C[C@H](OC)C2)c([O-])c1 ZINC000864345741 637947130 /nfs/dbraw/zinc/94/71/30/637947130.db2.gz FJFQXZRVXSYBBJ-JJKNKJLISA-N 0 3 276.380 2.835 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/CCc2ccccc2)CC1 ZINC000865192843 638221535 /nfs/dbraw/zinc/22/15/35/638221535.db2.gz GFUMUZJWHDFMOC-YRNVUSSQSA-N 0 3 298.430 2.942 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCc1cccs1 ZINC000865402881 638311855 /nfs/dbraw/zinc/31/18/55/638311855.db2.gz HMJWOWGQHLJRAO-UHFFFAOYSA-N 0 3 271.389 2.976 20 30 CFEDHN C=C(C)COCCNCc1cc(F)cc(OCC)c1 ZINC000865493191 638376753 /nfs/dbraw/zinc/37/67/53/638376753.db2.gz GRJKVLIGIUUVLH-UHFFFAOYSA-N 0 3 267.344 2.907 20 30 CFEDHN C=CCCOCCNCc1cc(F)ccc1N(C)C ZINC000865511381 638387270 /nfs/dbraw/zinc/38/72/70/638387270.db2.gz CGSIIIHNQBFUMV-UHFFFAOYSA-N 0 3 266.360 2.574 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNC1CC(F)(F)C1 ZINC000865543467 638410600 /nfs/dbraw/zinc/41/06/00/638410600.db2.gz NDORIYHFHVCMSM-UHFFFAOYSA-N 0 3 265.307 2.512 20 30 CFEDHN CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@@H]1CCCN(C)C1 ZINC000865560264 638422789 /nfs/dbraw/zinc/42/27/89/638422789.db2.gz FLCPHIVGBBYKRK-GFCCVEGCSA-N 0 3 298.312 2.502 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1cn(CCC)nn1 ZINC000865604243 638453771 /nfs/dbraw/zinc/45/37/71/638453771.db2.gz UZGJMCMVKXWVIG-MRXNPFEDSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCOCCCNCc1cccnc1Br ZINC000865628396 638472500 /nfs/dbraw/zinc/47/25/00/638472500.db2.gz ULLRCVWQQVTGFH-UHFFFAOYSA-N 0 3 285.185 2.526 20 30 CFEDHN CCn1ccnc1[C@H](C)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866615144 638855173 /nfs/dbraw/zinc/85/51/73/638855173.db2.gz BNXAZHGDUAEHGB-BLLLJJGKSA-N 0 3 280.375 2.593 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000121862175 638900225 /nfs/dbraw/zinc/90/02/25/638900225.db2.gz CWJYGKIGJXXJND-GHMZBOCLSA-N 0 3 299.355 2.594 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H](C)O[C@@H]3C)nc21 ZINC000870207724 639544557 /nfs/dbraw/zinc/54/45/57/639544557.db2.gz OAZVSIXXDXGFPY-UMSGYPCISA-N 0 3 297.358 2.861 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@H](C)O[C@@H]3C)[nH]c21 ZINC000870207724 639544563 /nfs/dbraw/zinc/54/45/63/639544563.db2.gz OAZVSIXXDXGFPY-UMSGYPCISA-N 0 3 297.358 2.861 20 30 CFEDHN CCCCCCCCCN1CCN(C[C@@H](C)O)CC1 ZINC000192214968 650549096 /nfs/dbraw/zinc/54/90/96/650549096.db2.gz MFHUQBVVDVGUCF-MRXNPFEDSA-N 0 3 270.461 2.735 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)NC(=O)OC(C)(C)C ZINC000192679494 650584370 /nfs/dbraw/zinc/58/43/70/650584370.db2.gz SDWQMQLRTFSCKJ-JTQLQIEISA-N 0 3 295.408 2.623 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccccc1F ZINC000079925082 650629276 /nfs/dbraw/zinc/62/92/76/650629276.db2.gz LKQXUPHYDSWYCN-QGZVFWFLSA-N 0 3 299.345 2.661 20 30 CFEDHN CC[C@@H](NCC1(CC#N)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871884617 641500350 /nfs/dbraw/zinc/50/03/50/641500350.db2.gz CURSHSDZNBJQHM-OAHLLOKOSA-N 0 3 285.391 2.996 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)C(C)(C)CC)nn1 ZINC000872078975 641611205 /nfs/dbraw/zinc/61/12/05/641611205.db2.gz FMDPXYUWRZAMIZ-CYBMUJFWSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](CC)CCC(F)(F)F)nn1 ZINC000872081103 641614974 /nfs/dbraw/zinc/61/49/74/641614974.db2.gz VGDIOZHXWRUADW-JTQLQIEISA-N 0 3 276.306 2.675 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129510 641658005 /nfs/dbraw/zinc/65/80/05/641658005.db2.gz FYVDUIVQXZPLMY-IJLUTSLNSA-N 0 3 259.309 2.938 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)CC(C)(C)C1 ZINC000872222696 641707696 /nfs/dbraw/zinc/70/76/96/641707696.db2.gz ANMRUNBACIMOBA-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN CN1CCN(CCCC(C)(C)C#N)Cc2cccnc21 ZINC000872318668 641754813 /nfs/dbraw/zinc/75/48/13/641754813.db2.gz NCXIVAUBMZRXPX-UHFFFAOYSA-N 0 3 272.396 2.663 20 30 CFEDHN C[C@@H]1C(N=Nc2cccc3cnccc32)CCN1C ZINC000872351098 641762391 /nfs/dbraw/zinc/76/23/91/641762391.db2.gz OEUGJAWOMRQDPH-LLVKDONJSA-N 0 3 254.337 2.727 20 30 CFEDHN COc1ccc2c(c1)CCC2=NNc1ccnc(C)c1 ZINC000872393250 641789223 /nfs/dbraw/zinc/78/92/23/641789223.db2.gz QQEACKINNYHFTM-UHFFFAOYSA-N 0 3 267.332 2.583 20 30 CFEDHN C=CCOCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873103232 642014258 /nfs/dbraw/zinc/01/42/58/642014258.db2.gz YYINAZXFXPSQSE-UHFFFAOYSA-N 0 3 264.325 2.504 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)CCCC1 ZINC000874826714 642512506 /nfs/dbraw/zinc/51/25/06/642512506.db2.gz PKYVKAGBIVICGG-GJZGRUSLSA-N 0 3 276.424 2.818 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000874860551 642532632 /nfs/dbraw/zinc/53/26/32/642532632.db2.gz IVQDULUTNRBVKY-CKEIUWERSA-N 0 3 294.414 2.507 20 30 CFEDHN CCCCCCCNC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000875765108 642683517 /nfs/dbraw/zinc/68/35/17/642683517.db2.gz FTQNERLKUGGGCW-HNNXBMFYSA-N 0 3 279.428 2.613 20 30 CFEDHN C#CCCCCCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000876559868 642922277 /nfs/dbraw/zinc/92/22/77/642922277.db2.gz BEEVCJUBRADURV-UHFFFAOYSA-N 0 3 296.418 2.659 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CC)c1ccc(OC)cc1 ZINC000876561055 642923362 /nfs/dbraw/zinc/92/33/62/642923362.db2.gz IZILUBALQJFOOR-KGLIPLIRSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000876564910 642926044 /nfs/dbraw/zinc/92/60/44/642926044.db2.gz QSMVAGHOFMRUSS-CQSZACIVSA-N 0 3 296.773 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCCC)c1 ZINC000876584688 642934387 /nfs/dbraw/zinc/93/43/87/642934387.db2.gz MINZDULZDNVBNC-CYBMUJFWSA-N 0 3 282.771 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000876589471 642935743 /nfs/dbraw/zinc/93/57/43/642935743.db2.gz MSGWTANNTDSVFA-LLVKDONJSA-N 0 3 298.770 2.502 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000876592968 642937073 /nfs/dbraw/zinc/93/70/73/642937073.db2.gz VQNPLPKPPCHXCS-ZIAGYGMSSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CCCCC)C(C)C ZINC000876593960 642937968 /nfs/dbraw/zinc/93/79/68/642937968.db2.gz NWPICBPEQPWYMB-LBPRGKRZSA-N 0 3 260.809 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000876598798 642939556 /nfs/dbraw/zinc/93/95/56/642939556.db2.gz PTYXWWMWCJSGOT-JTQLQIEISA-N 0 3 293.754 2.799 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CCc1ccccc1 ZINC000876605932 642941810 /nfs/dbraw/zinc/94/18/10/642941810.db2.gz YJWZQESTSDLIMD-CQSZACIVSA-N 0 3 280.799 2.548 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000876603563 642942103 /nfs/dbraw/zinc/94/21/03/642942103.db2.gz WULDUZHZCLUDTL-GHYVTOPFSA-N 0 3 284.831 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCCc2ccccc21 ZINC000876603504 642942165 /nfs/dbraw/zinc/94/21/65/642942165.db2.gz UOQPJOJUXOZHBT-CYBMUJFWSA-N 0 3 278.783 2.826 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000876613649 642944920 /nfs/dbraw/zinc/94/49/20/642944920.db2.gz GIHDDNRRFGOGED-CHWSQXEVSA-N 0 3 299.201 2.913 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(COCC)c1 ZINC000876642061 642955326 /nfs/dbraw/zinc/95/53/26/642955326.db2.gz RAKKXLRMEKAAAD-ZDUSSCGKSA-N 0 3 282.771 2.632 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000876643227 642956365 /nfs/dbraw/zinc/95/63/65/642956365.db2.gz ALRXPIFOZYQKPL-MRVPVSSYSA-N 0 3 287.816 2.849 20 30 CFEDHN N#CC1CCN(Cc2cccc3ncccc23)CC1 ZINC000876652698 642958634 /nfs/dbraw/zinc/95/86/34/642958634.db2.gz HQTRFJCGXNCBSB-UHFFFAOYSA-N 0 3 251.333 2.970 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1oc2ccccc2c1C ZINC000876667796 642964546 /nfs/dbraw/zinc/96/45/46/642964546.db2.gz NGZOFQWICHQZLG-GFCCVEGCSA-N 0 3 292.766 2.827 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000876668938 642965299 /nfs/dbraw/zinc/96/52/99/642965299.db2.gz WFSREMQZJLFXTR-BZPMIXESSA-N 0 3 280.799 2.765 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000876672916 642967436 /nfs/dbraw/zinc/96/74/36/642967436.db2.gz SDSIPSVEYZZKGK-HIFRSBDPSA-N 0 3 294.826 2.854 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000876676144 642968050 /nfs/dbraw/zinc/96/80/50/642968050.db2.gz SPCXRHBPMUOLQW-IINYFYTJSA-N 0 3 296.773 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1cc2ccccc2o1 ZINC000876676804 642969370 /nfs/dbraw/zinc/96/93/70/642969370.db2.gz YIWDCVPIRFHDIR-CYBMUJFWSA-N 0 3 292.766 2.561 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)Cc1cccs1 ZINC000876682548 642970731 /nfs/dbraw/zinc/97/07/31/642970731.db2.gz JPBCXRUSCJKCOM-CABZTGNLSA-N 0 3 286.828 2.513 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC)CCCC ZINC000876697399 642978968 /nfs/dbraw/zinc/97/89/68/642978968.db2.gz CXVRHEGCIKLHFY-RYUDHWBXSA-N 0 3 260.809 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000876702804 642979698 /nfs/dbraw/zinc/97/96/98/642979698.db2.gz SINHCFVKMWICIJ-SNVBAGLBSA-N 0 3 298.736 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](SCC)C1 ZINC000876701804 642979892 /nfs/dbraw/zinc/97/98/92/642979892.db2.gz YCWSIHDHIZTNLZ-UTUOFQBUSA-N 0 3 290.860 2.637 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H]1CCCC[C@H]1C ZINC000876878377 643047500 /nfs/dbraw/zinc/04/75/00/643047500.db2.gz ARCFCWYAMZQRLP-WXHSDQCUSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000876880034 643047593 /nfs/dbraw/zinc/04/75/93/643047593.db2.gz YIZARXASQYNCSL-WDEREUQCSA-N 0 3 284.812 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@@H](CC)c1ccncc1 ZINC000876885792 643050907 /nfs/dbraw/zinc/05/09/07/643050907.db2.gz QBLSUTGAFPFYHK-KBPBESRZSA-N 0 3 295.814 2.851 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)[C@H](CC)c1ccncc1 ZINC000876885794 643051239 /nfs/dbraw/zinc/05/12/39/643051239.db2.gz QBLSUTGAFPFYHK-UONOGXRCSA-N 0 3 295.814 2.851 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(SC)cc1 ZINC000876887489 643051897 /nfs/dbraw/zinc/05/18/97/643051897.db2.gz YWXSYRZJOZIARM-CYBMUJFWSA-N 0 3 298.839 2.537 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CC ZINC000876885909 643052226 /nfs/dbraw/zinc/05/22/26/643052226.db2.gz RRBUQVRSAWGPNL-CABCVRRESA-N 0 3 292.810 2.820 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1[C@H](C)CCC ZINC000876897148 643055213 /nfs/dbraw/zinc/05/52/13/643055213.db2.gz QCLMMCJCOUHTIZ-WXHSDQCUSA-N 0 3 272.820 2.884 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCCCOCC2CC2)c1 ZINC000876900897 643056710 /nfs/dbraw/zinc/05/67/10/643056710.db2.gz TVKXQFVYKDMGHI-UHFFFAOYSA-N 0 3 279.771 2.513 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)c1cccc(F)c1F ZINC000876902660 643058196 /nfs/dbraw/zinc/05/81/96/643058196.db2.gz PNNXOIMXAAJQOR-KWQFWETISA-N 0 3 288.725 2.612 20 30 CFEDHN C#CCCCCCCN[C@H](C)c1nnc2ccccn21 ZINC000876903551 643058629 /nfs/dbraw/zinc/05/86/29/643058629.db2.gz XCCYXYMLLGHSPC-CQSZACIVSA-N 0 3 270.380 2.964 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2Cl)CC1 ZINC000876934241 643070906 /nfs/dbraw/zinc/07/09/06/643070906.db2.gz FJYZMGRDKIVCIZ-GFCCVEGCSA-N 0 3 299.201 2.915 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC2(CC2(F)F)CC1 ZINC000876970939 643088600 /nfs/dbraw/zinc/08/86/00/643088600.db2.gz HGMXFMFRVACAFW-YZRBJQDESA-N 0 3 292.757 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000876981534 643091244 /nfs/dbraw/zinc/09/12/44/643091244.db2.gz UPJVGTMHYVGXCX-AVGNSLFASA-N 0 3 270.804 2.638 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000876996462 643098552 /nfs/dbraw/zinc/09/85/52/643098552.db2.gz UULRYWDGMZNYQM-ZDUSSCGKSA-N 0 3 274.364 2.581 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)cnc2Cl)[C@@H]2CCO[C@H]21 ZINC000877058609 643126126 /nfs/dbraw/zinc/12/61/26/643126126.db2.gz CYLQRSYQBOHVCD-YNEHKIRRSA-N 0 3 291.782 2.510 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@H](CO)C2CCCCC2)c1 ZINC000877067902 643132174 /nfs/dbraw/zinc/13/21/74/643132174.db2.gz NWCNVCNHZHQUCC-CQSZACIVSA-N 0 3 293.798 2.637 20 30 CFEDHN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CCCC[C@@H]1O ZINC000877081718 643140970 /nfs/dbraw/zinc/14/09/70/643140970.db2.gz QWCYLHIBJYPIEJ-ZFWWWQNUSA-N 0 3 293.798 2.637 20 30 CFEDHN CC(C)[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877135811 643170680 /nfs/dbraw/zinc/17/06/80/643170680.db2.gz NMJUWVVZPNWTMD-KBPBESRZSA-N 0 3 293.798 2.900 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CCCSCC1 ZINC000877170339 643188340 /nfs/dbraw/zinc/18/83/40/643188340.db2.gz MDZZMLCBHNUYPK-UHFFFAOYSA-N 0 3 275.421 2.563 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@]1(N)C[C@@H](OCC)C1(C)C ZINC000877303651 643226169 /nfs/dbraw/zinc/22/61/69/643226169.db2.gz LJHKSFCXZSABEE-CXAGYDPISA-N 0 3 296.455 2.628 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000877304246 643227219 /nfs/dbraw/zinc/22/72/19/643227219.db2.gz WXYWMZLISRUEKV-INIZCTEOSA-N 0 3 286.419 2.982 20 30 CFEDHN C[C@H](CCC#N)CN1CCC(C(=O)C(F)(F)F)CC1 ZINC000877420033 643264773 /nfs/dbraw/zinc/26/47/73/643264773.db2.gz LPSYABNAZVZEIA-SNVBAGLBSA-N 0 3 276.302 2.770 20 30 CFEDHN C=CCN(C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877425473 643266451 /nfs/dbraw/zinc/26/64/51/643266451.db2.gz BJDLAHNBOSDKRC-UHFFFAOYSA-N 0 3 277.318 2.983 20 30 CFEDHN C[C@H]1CCN(Cc2cc(C#N)ccc2N(C)C)CCS1 ZINC000877476190 643293434 /nfs/dbraw/zinc/29/34/34/643293434.db2.gz XPVQQZMVYBBDLC-ZDUSSCGKSA-N 0 3 289.448 2.952 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1cnc2c(cnn2C)c1 ZINC000877483732 643299636 /nfs/dbraw/zinc/29/96/36/643299636.db2.gz QRICOMPFPQEGID-AWEZNQCLSA-N 0 3 256.353 2.509 20 30 CFEDHN C#C[C@H](NCC1CC(OCC)C1)c1ccc(F)cc1 ZINC000877544584 643346380 /nfs/dbraw/zinc/34/63/80/643346380.db2.gz RLGFLPOCECTAEZ-MOQPWLNLSA-N 0 3 261.340 2.905 20 30 CFEDHN C#C[C@H](N[C@H](C)C[C@H]1CCCC(=O)N1)c1ccc(F)cc1 ZINC000877544289 643346828 /nfs/dbraw/zinc/34/68/28/643346828.db2.gz NSHHEMGBSFMWBR-WQVCFCJDSA-N 0 3 288.366 2.537 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@H]1C1CC1 ZINC000877562145 643361447 /nfs/dbraw/zinc/36/14/47/643361447.db2.gz QFGDLUBIUYKRCT-INIZCTEOSA-N 0 3 255.365 2.609 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(ccnc2Cl)o1 ZINC000877567245 643366296 /nfs/dbraw/zinc/36/62/96/643366296.db2.gz VZWOOZQXJKRNAX-NEPJUHHUSA-N 0 3 278.739 2.914 20 30 CFEDHN CC(C)(C)[C@H]1C[C@H](NCC2(C#N)CCC2)CCO1 ZINC000877595072 643387395 /nfs/dbraw/zinc/38/73/95/643387395.db2.gz QOWHDUJAITVFOS-CHWSQXEVSA-N 0 3 250.386 2.864 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@@H]2C[C@H]2C2CCC2)c1 ZINC000877597121 643389121 /nfs/dbraw/zinc/38/91/21/643389121.db2.gz AFLBYZGWAOUYHA-QWHCGFSZSA-N 0 3 261.756 2.885 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2c3c(nn2C)CCCC3)C1 ZINC000877605140 643393578 /nfs/dbraw/zinc/39/35/78/643393578.db2.gz NSIINLHPPRGYTN-AWEZNQCLSA-N 0 3 271.408 2.534 20 30 CFEDHN C[C@H](CNCc1cc(C#N)cnc1Cl)c1ccccn1 ZINC000877621340 643408081 /nfs/dbraw/zinc/40/80/81/643408081.db2.gz UQMBHQIFAZRFQM-LLVKDONJSA-N 0 3 286.766 2.895 20 30 CFEDHN CCSC1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877635672 643420635 /nfs/dbraw/zinc/42/06/35/643420635.db2.gz BAZYTTAYYSGJQU-UHFFFAOYSA-N 0 3 281.812 2.982 20 30 CFEDHN C#C[C@H](NCc1cnc2c(F)cccc2c1)C1CCOCC1 ZINC000877638323 643423092 /nfs/dbraw/zinc/42/30/92/643423092.db2.gz WOWWQDPFWXRCQN-KRWDZBQOSA-N 0 3 298.361 2.892 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877640725 643425433 /nfs/dbraw/zinc/42/54/33/643425433.db2.gz RCTDNZMIYJHYCJ-CYBMUJFWSA-N 0 3 292.379 2.670 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1cncc(F)c1 ZINC000877704332 643470921 /nfs/dbraw/zinc/47/09/21/643470921.db2.gz MGSQNMQMVYNHLD-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000877738264 643501271 /nfs/dbraw/zinc/50/12/71/643501271.db2.gz NCTJNTPVTXNMGC-LSDHHAIUSA-N 0 3 258.390 2.743 20 30 CFEDHN C#CCOc1ccccc1CN(C)C[C@@H]1CCCC[C@H]1O ZINC000246035851 650849014 /nfs/dbraw/zinc/84/90/14/650849014.db2.gz WMXIZCLSXOBZOZ-DOTOQJQBSA-N 0 3 287.403 2.682 20 30 CFEDHN CNC(=O)c1ccc(CN(CC2(CC#N)CC2)C2CC2)cc1 ZINC000877891400 643627279 /nfs/dbraw/zinc/62/72/79/643627279.db2.gz OTKGMWNLBZGEOY-UHFFFAOYSA-N 0 3 297.402 2.704 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877916901 643639849 /nfs/dbraw/zinc/63/98/49/643639849.db2.gz LOPMDJYKZPCELU-IXDOHACOSA-N 0 3 270.376 2.948 20 30 CFEDHN CCCN(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878013373 643692040 /nfs/dbraw/zinc/69/20/40/643692040.db2.gz FKXUJNFBHYYRLL-MRXNPFEDSA-N 0 3 258.365 2.769 20 30 CFEDHN C#CCCCCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000878131316 643751742 /nfs/dbraw/zinc/75/17/42/643751742.db2.gz LZGUWIMGYUVGEK-KRWDZBQOSA-N 0 3 285.435 2.954 20 30 CFEDHN C#CCCN1CCN(C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878312100 643834434 /nfs/dbraw/zinc/83/44/34/643834434.db2.gz GUTHPKWNXGHLDI-RBUKOAKNSA-N 0 3 298.430 2.548 20 30 CFEDHN C#CCCCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000878665699 643983600 /nfs/dbraw/zinc/98/36/00/643983600.db2.gz LLUGRKGXJHXCOL-ROUUACIJSA-N 0 3 289.394 2.980 20 30 CFEDHN CN(C[C@@](C)(O)c1ccccc1)CC1(CC#N)CC1 ZINC000878728333 644009810 /nfs/dbraw/zinc/00/98/10/644009810.db2.gz LPCINVJDJZHFEU-OAHLLOKOSA-N 0 3 258.365 2.520 20 30 CFEDHN C#CCN(C[C@H]1CC(C)(C)OC1(C)C)C1CSC1 ZINC000878908132 644070645 /nfs/dbraw/zinc/07/06/45/644070645.db2.gz BQLYQSYLEHFTLQ-GFCCVEGCSA-N 0 3 267.438 2.631 20 30 CFEDHN C#CCCCCCN[C@@H](CO)c1ccc(F)cc1F ZINC000878995755 644104298 /nfs/dbraw/zinc/10/42/98/644104298.db2.gz WFHKIEOQFJJEEQ-HNNXBMFYSA-N 0 3 267.319 2.781 20 30 CFEDHN C=CCCCN1CCc2cccc(NC(C)=O)c2C1 ZINC000879234916 644184459 /nfs/dbraw/zinc/18/44/59/644184459.db2.gz GMHARZLHXIQUJI-UHFFFAOYSA-N 0 3 258.365 2.969 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H](O)c2ccccc2)o1 ZINC000879247952 644193679 /nfs/dbraw/zinc/19/36/79/644193679.db2.gz YOKZTYFYEZTJDF-DLBZAZTESA-N 0 3 282.343 2.849 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)o1 ZINC000879247962 644193786 /nfs/dbraw/zinc/19/37/86/644193786.db2.gz YOKZTYFYEZTJDF-SJORKVTESA-N 0 3 282.343 2.849 20 30 CFEDHN C=C(CC)CN1CCN[C@H](c2cccc(OC)c2)C1 ZINC000879523897 644303539 /nfs/dbraw/zinc/30/35/39/644303539.db2.gz HGRJLZRKQNQAIK-INIZCTEOSA-N 0 3 260.381 2.608 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CC(F)(F)C3)CC2)cc1 ZINC000879586805 644341410 /nfs/dbraw/zinc/34/14/10/644341410.db2.gz VQFUBHJYKIIXHI-UHFFFAOYSA-N 0 3 291.345 2.726 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](OCC(C)C)C2)cc1 ZINC000091964433 650913092 /nfs/dbraw/zinc/91/30/92/650913092.db2.gz SKULIPGGKADIDI-SFHVURJKSA-N 0 3 287.403 2.946 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648882 644363272 /nfs/dbraw/zinc/36/32/72/644363272.db2.gz FOWQPGFNDPSAOS-ZIAGYGMSSA-N 0 3 290.407 2.856 20 30 CFEDHN C#CCN1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879652789 644365804 /nfs/dbraw/zinc/36/58/04/644365804.db2.gz IHUPWJOWUADPML-QGZVFWFLSA-N 0 3 294.439 2.883 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651990 644366507 /nfs/dbraw/zinc/36/65/07/644366507.db2.gz SIYSAZODZFLCNE-KBPBESRZSA-N 0 3 288.391 2.632 20 30 CFEDHN N#CCC1(CN2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000880000898 644490857 /nfs/dbraw/zinc/49/08/57/644490857.db2.gz ZGKCTRZGPWRDBY-HNNXBMFYSA-N 0 3 274.339 2.973 20 30 CFEDHN C[C@@H]1CN(CCCSCC#N)CC[C@H](C(F)(F)F)O1 ZINC000880059289 644516276 /nfs/dbraw/zinc/51/62/76/644516276.db2.gz IJZQLHLQSRYABZ-GHMZBOCLSA-N 0 3 296.358 2.675 20 30 CFEDHN C=C(CC)CN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880080518 644524897 /nfs/dbraw/zinc/52/48/97/644524897.db2.gz XDZYUVBOKVXJFS-HNNXBMFYSA-N 0 3 274.364 2.910 20 30 CFEDHN C[C@H](CCC#N)N(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079507 644525134 /nfs/dbraw/zinc/52/51/34/644525134.db2.gz IWJITZXYDIMQBR-HIFRSBDPSA-N 0 3 287.363 2.636 20 30 CFEDHN Cc1ccc([C@H]2CCN(CC(=O)NCCC#N)C2(C)C)cc1 ZINC000880290270 644629094 /nfs/dbraw/zinc/62/90/94/644629094.db2.gz XDNOVZUVNHTXPR-MRXNPFEDSA-N 0 3 299.418 2.593 20 30 CFEDHN C#CCC1(O)CCN(CCSc2ccccc2F)CC1 ZINC000880478921 644729087 /nfs/dbraw/zinc/72/90/87/644729087.db2.gz NMLHQZSHVPWAJW-UHFFFAOYSA-N 0 3 293.407 2.768 20 30 CFEDHN C#CCOc1ccc(CN(C)CCOCC2CC2)cc1 ZINC000093818599 650947004 /nfs/dbraw/zinc/94/70/04/650947004.db2.gz USHQERSKUZCVQW-UHFFFAOYSA-N 0 3 273.376 2.557 20 30 CFEDHN N#Cc1cnccc1CN1CCCC[C@@H](C2CCOCC2)C1 ZINC000880577586 644774818 /nfs/dbraw/zinc/77/48/18/644774818.db2.gz MQJRNAZFEOYCOO-MRXNPFEDSA-N 0 3 299.418 2.982 20 30 CFEDHN Cc1nc(C#N)cc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000882136619 645216552 /nfs/dbraw/zinc/21/65/52/645216552.db2.gz SMPDJXOOFKPDTI-DOTOQJQBSA-N 0 3 293.374 2.514 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001007281769 651013388 /nfs/dbraw/zinc/01/33/88/651013388.db2.gz UNZXGGPTXHLDPM-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cccc(OC(C)(C)C)c1 ZINC000883156432 645630771 /nfs/dbraw/zinc/63/07/71/645630771.db2.gz OFDSZUWGISKROB-HNNXBMFYSA-N 0 3 275.392 2.728 20 30 CFEDHN C=CCCn1cc(CNCC[C@@H]2CCCC2(F)F)nn1 ZINC000883264773 645708825 /nfs/dbraw/zinc/70/88/25/645708825.db2.gz KATBOKJSHGQBDB-LBPRGKRZSA-N 0 3 284.354 2.769 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccncc1Cl ZINC000883392934 645792351 /nfs/dbraw/zinc/79/23/51/645792351.db2.gz RJHIUQNJUHTQSZ-GHMZBOCLSA-N 0 3 254.761 2.713 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cccc(Cl)c1F ZINC000883400049 645796228 /nfs/dbraw/zinc/79/62/28/645796228.db2.gz CBGUGBJJINNORX-LLVKDONJSA-N 0 3 257.736 2.896 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC000883400418 645796759 /nfs/dbraw/zinc/79/67/59/645796759.db2.gz MDZMOUOXQQGTNL-ZDUSSCGKSA-N 0 3 292.329 2.930 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cnc(-c2ccccc2)nc1 ZINC000883401159 645797311 /nfs/dbraw/zinc/79/73/11/645797311.db2.gz DQTPSTVLTFDTOD-MRXNPFEDSA-N 0 3 283.375 2.560 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1ccccc1Br ZINC000883401164 645797679 /nfs/dbraw/zinc/79/76/79/645797679.db2.gz DRDQXOBKPHRTBE-LBPRGKRZSA-N 0 3 284.197 2.866 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000883401814 645798058 /nfs/dbraw/zinc/79/80/58/645798058.db2.gz ZFRZTUABXUMTSM-LLVKDONJSA-N 0 3 268.426 2.857 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1ccc(OC)cc1Cl ZINC000883401472 645798459 /nfs/dbraw/zinc/79/84/59/645798459.db2.gz NTFILTRXEBYYRB-GFCCVEGCSA-N 0 3 269.772 2.765 20 30 CFEDHN CC(C)c1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884045886 646148010 /nfs/dbraw/zinc/14/80/10/646148010.db2.gz LERTYAZJANAANF-CSLYMUCUSA-N 0 3 297.402 2.888 20 30 CFEDHN C=CC[C@H](C)OC(=O)C1CCCN(C(C)(C)C)C1=O ZINC000885481241 646695178 /nfs/dbraw/zinc/69/51/78/646695178.db2.gz LXCUUQYICJRCNV-NWDGAFQWSA-N 0 3 267.369 2.531 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000885930691 646771724 /nfs/dbraw/zinc/77/17/24/646771724.db2.gz DUZFGQPPBQXOIM-VXGBXAGGSA-N 0 3 290.329 2.706 20 30 CFEDHN C#CCSCCNCc1ccccc1OCC(F)F ZINC000885994135 646800769 /nfs/dbraw/zinc/80/07/69/646800769.db2.gz CUGYSKAAXHMBRL-UHFFFAOYSA-N 0 3 285.359 2.787 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886090046 646862169 /nfs/dbraw/zinc/86/21/69/646862169.db2.gz OSWDTLCMKGAJBE-IKGGRYGDSA-N 0 3 275.440 2.588 20 30 CFEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886125013 646882985 /nfs/dbraw/zinc/88/29/85/646882985.db2.gz HBUILKBHWLSWOA-STQMWFEESA-N 0 3 293.436 2.937 20 30 CFEDHN CC[C@H](NC[C@@H](O)CC1(C#N)CCC1)c1c(C)noc1C ZINC000886127266 646884196 /nfs/dbraw/zinc/88/41/96/646884196.db2.gz GLZVVUJKQRGEJI-KBPBESRZSA-N 0 3 291.395 2.777 20 30 CFEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CCC1)c1c(C)noc1C ZINC000886127268 646884422 /nfs/dbraw/zinc/88/44/22/646884422.db2.gz GLZVVUJKQRGEJI-UONOGXRCSA-N 0 3 291.395 2.777 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC=C(c3ccco3)C2)CCC1 ZINC000886201364 646917201 /nfs/dbraw/zinc/91/72/01/646917201.db2.gz CJCRMINAWFNZHU-OAHLLOKOSA-N 0 3 286.375 2.814 20 30 CFEDHN Cc1noc(C)c1C(C)(C)NC[C@H](O)CC1(C#N)CCC1 ZINC000886204313 646919084 /nfs/dbraw/zinc/91/90/84/646919084.db2.gz ATISLHMVGKBAKS-CYBMUJFWSA-N 0 3 291.395 2.561 20 30 CFEDHN Cc1ccc2c(c1)CN(C[C@@H](O)CC1(C#N)CCC1)CC2 ZINC000886277096 646947483 /nfs/dbraw/zinc/94/74/83/646947483.db2.gz GWIOGSBXRXKHSX-KRWDZBQOSA-N 0 3 284.403 2.798 20 30 CFEDHN C[C@H]1CC(F)(F)CCN1C[C@H](O)CC1(C#N)CCC1 ZINC000886300752 646958999 /nfs/dbraw/zinc/95/89/99/646958999.db2.gz OVJBKIUNQXWRQN-NWDGAFQWSA-N 0 3 272.339 2.551 20 30 CFEDHN COc1ccc(F)cc1CCNCc1ccc(C#N)o1 ZINC000886311883 646963921 /nfs/dbraw/zinc/96/39/21/646963921.db2.gz LBSGNTLPUUSWFV-UHFFFAOYSA-N 0 3 274.295 2.631 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000886353453 646982840 /nfs/dbraw/zinc/98/28/40/646982840.db2.gz JQPABIYNQLSHPH-HZPDHXFCSA-N 0 3 284.403 2.773 20 30 CFEDHN C#CC[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000886353287 646983053 /nfs/dbraw/zinc/98/30/53/646983053.db2.gz GBPCIOWRUQPSNH-CVEARBPZSA-N 0 3 284.403 2.551 20 30 CFEDHN C#CC[C@H]1CCN(CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000886355840 646984271 /nfs/dbraw/zinc/98/42/71/646984271.db2.gz ONPXMELPWGLIEL-INIZCTEOSA-N 0 3 296.414 2.523 20 30 CFEDHN C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000886355009 646984459 /nfs/dbraw/zinc/98/44/59/646984459.db2.gz APFMMRGORPHYSW-HZPDHXFCSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@H]1CCN(CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000886357815 646986098 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C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001018081041 651265056 /nfs/dbraw/zinc/26/50/56/651265056.db2.gz ISXGNMVWIRBALR-CALCHBBNSA-N 0 3 299.418 2.645 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2sccc2C)C1 ZINC001019940565 651294375 /nfs/dbraw/zinc/29/43/75/651294375.db2.gz NMDLEQHOUZONKB-XYPYZODXSA-N 0 3 284.812 2.659 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001020298791 651301020 /nfs/dbraw/zinc/30/10/20/651301020.db2.gz XBJOWVTZBAZXEO-NEZJFGSUSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001020383883 651303411 /nfs/dbraw/zinc/30/34/11/651303411.db2.gz GQBVKTYZEWURBJ-FDYHWXHSSA-N 0 3 284.831 2.658 20 30 CFEDHN CC(C)CN1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000316218671 719337480 /nfs/dbraw/zinc/33/74/80/719337480.db2.gz DPGHJUMKVANXRH-UHFFFAOYSA-N 0 3 294.402 2.884 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccn1CC ZINC001085974500 782222398 /nfs/dbraw/zinc/22/23/98/782222398.db2.gz VWFPXCZVHLXDRS-HNNXBMFYSA-N 0 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CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033258421 780633963 /nfs/dbraw/zinc/63/39/63/780633963.db2.gz XIHXZTCNXZGDDK-RBSFLKMASA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2csc(C)n2)C1 ZINC001034364700 780959355 /nfs/dbraw/zinc/95/93/55/780959355.db2.gz VVIACHZSMJBSED-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001266245808 769824090 /nfs/dbraw/zinc/82/40/90/769824090.db2.gz GZPUAIQKTCRUOX-HZPDHXFCSA-N 0 3 278.440 2.663 20 30 CFEDHN CN(Cc1cccs1)C[C@H](O)c1cccc(C#N)c1 ZINC000402130051 769890079 /nfs/dbraw/zinc/89/00/79/769890079.db2.gz HDOOMAYVIVUNSI-HNNXBMFYSA-N 0 3 272.373 2.785 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc(C)c2ccccc2n1 ZINC001266288675 769906192 /nfs/dbraw/zinc/90/61/92/769906192.db2.gz LUWJKEHZTHWALT-UHFFFAOYSA-N 0 3 297.402 2.781 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@H](CC)CC1CCCC1 ZINC001266332734 769973963 /nfs/dbraw/zinc/97/39/63/769973963.db2.gz XSWPOAGUZTZNAF-OAHLLOKOSA-N 0 3 266.429 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290.338 2.810 20 30 CFEDHN Cn1nc2ccccc2c1CN1CCC[C@H](C#N)CC1 ZINC001209542212 770109092 /nfs/dbraw/zinc/10/90/92/770109092.db2.gz JQXFFJJAMZBZAI-ZDUSSCGKSA-N 0 3 268.364 2.699 20 30 CFEDHN C=CCN(CC)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001266431506 770136504 /nfs/dbraw/zinc/13/65/04/770136504.db2.gz GVYQWMZWZIYQDZ-SHTZXODSSA-N 0 3 266.429 2.827 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](NC[C@@H](F)CC)C1 ZINC001209874508 770150796 /nfs/dbraw/zinc/15/07/96/770150796.db2.gz KAQBUXXJWBDONV-UONOGXRCSA-N 0 3 284.419 2.917 20 30 CFEDHN C#CCN(CC[S@@](=O)C(F)(F)F)C1CCCCC1 ZINC001167273419 770195446 /nfs/dbraw/zinc/19/54/46/770195446.db2.gz GBXNHLDUPIKPKD-GOSISDBHSA-N 0 3 281.343 2.523 20 30 CFEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001266494181 770205795 /nfs/dbraw/zinc/20/57/95/770205795.db2.gz LSSFWAAESTXROK-IYBDPMFKSA-N 0 3 288.435 2.984 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001167283823 770211212 /nfs/dbraw/zinc/21/12/12/770211212.db2.gz 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/nfs/dbraw/zinc/59/16/84/770591684.db2.gz MBJAICGLDVAPEI-HZPDHXFCSA-N 0 3 278.440 2.520 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001266765933 770592653 /nfs/dbraw/zinc/59/26/53/770592653.db2.gz BRKZBKHRZWNSKL-INIZCTEOSA-N 0 3 292.467 2.910 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1)C(=O)[C@H]1CCC1(C)C ZINC001266810193 770636480 /nfs/dbraw/zinc/63/64/80/770636480.db2.gz IBOUDFXLXDAYBT-MRXNPFEDSA-N 0 3 299.418 2.542 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001038216566 770640581 /nfs/dbraw/zinc/64/05/81/770640581.db2.gz LMFYTUIFIWXWCS-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN CC#CCN[C@@H](C)CNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001266950031 770763070 /nfs/dbraw/zinc/76/30/70/770763070.db2.gz XNAJIVMIJPQHIR-LBPRGKRZSA-N 0 3 297.402 2.516 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)NCc1cncc(C)c1 ZINC001266968748 770778001 /nfs/dbraw/zinc/77/80/01/770778001.db2.gz VAKFYECKLPUXPR-YOEHRIQHSA-N 0 3 289.423 2.587 20 30 CFEDHN C=CCN(C)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001267218756 773218712 /nfs/dbraw/zinc/21/87/12/773218712.db2.gz DPIIJWAJNFEVHO-UHFFFAOYSA-N 0 3 284.359 2.794 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1cccc(Cl)c1F ZINC001267249576 775099491 /nfs/dbraw/zinc/09/94/91/775099491.db2.gz ZZQVUPNDXDHIBM-UHFFFAOYSA-N 0 3 284.762 2.717 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001267281951 775150019 /nfs/dbraw/zinc/15/00/19/775150019.db2.gz NCJKUBASNFDFLZ-DLBZAZTESA-N 0 3 284.403 2.723 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)C[C@H]1C=CCCC1 ZINC001267314749 775193174 /nfs/dbraw/zinc/19/31/74/775193174.db2.gz CDXRVGPKDOQOBF-INIZCTEOSA-N 0 3 276.424 2.584 20 30 CFEDHN CC(C)CCN1CC[C@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276980548 775218284 /nfs/dbraw/zinc/21/82/84/775218284.db2.gz VCAMSSNXIYXPHF-SFHVURJKSA-N 0 3 298.430 2.665 20 30 CFEDHN C=CCN(CCNC(=O)CCc1ccc(C)s1)C1CC1 ZINC001267338019 775223162 /nfs/dbraw/zinc/22/31/62/775223162.db2.gz DGMOVZRRMUWMTI-UHFFFAOYSA-N 0 3 292.448 2.756 20 30 CFEDHN C#CCC1(C(=O)NC[C@H]2CCN2CCCC)CCCCC1 ZINC001276985632 775228164 /nfs/dbraw/zinc/22/81/64/775228164.db2.gz FWSQPEUPRBJKRB-MRXNPFEDSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)CC)c1ccc(C(C)C)cc1 ZINC001267341569 775228945 /nfs/dbraw/zinc/22/89/45/775228945.db2.gz ZTRXFPFXKRIYQE-KRWDZBQOSA-N 0 3 286.419 2.990 20 30 CFEDHN CCCCCC(=O)N(C)CCNCc1cccc(C#N)c1 ZINC001267346940 775235577 /nfs/dbraw/zinc/23/55/77/775235577.db2.gz FFBCACWTOHWRMX-UHFFFAOYSA-N 0 3 287.407 2.687 20 30 CFEDHN CN(CCNCc1cccc(C#N)c1)C(=O)/C=C\C(C)(C)C ZINC001267355373 775241962 /nfs/dbraw/zinc/24/19/62/775241962.db2.gz PGLJNGULHRPMFD-HJWRWDBZSA-N 0 3 299.418 2.709 20 30 CFEDHN N#CCCCCCO[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001224692818 775248419 /nfs/dbraw/zinc/24/84/19/775248419.db2.gz BNLROLRGUPGLIP-IYBDPMFKSA-N 0 3 280.412 2.730 20 30 CFEDHN CC(C)CCC[C@H](C)CCO[C@H]1CNC[C@@H]1C#N ZINC001217833879 775309116 /nfs/dbraw/zinc/30/91/16/775309116.db2.gz UEUPLVYTROEISJ-KKUMJFAQSA-N 0 3 252.402 2.967 20 30 CFEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001267405926 775315133 /nfs/dbraw/zinc/31/51/33/775315133.db2.gz RCHXERXDEDIDNV-OKILXGFUSA-N 0 3 282.403 2.624 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001267416689 775317659 /nfs/dbraw/zinc/31/76/59/775317659.db2.gz WXDNWAGJVSQZKS-HNNXBMFYSA-N 0 3 299.418 2.709 20 30 CFEDHN C=CCCN1CC[C@H](N(CCC)C(=O)c2ccco2)C1 ZINC001267442990 775327944 /nfs/dbraw/zinc/32/79/44/775327944.db2.gz HBKGLBFHLAEHDW-AWEZNQCLSA-N 0 3 276.380 2.782 20 30 CFEDHN CC#CCNCCN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001267456338 775334402 /nfs/dbraw/zinc/33/44/02/775334402.db2.gz UFKRJPGGNXPLFU-AWEZNQCLSA-N 0 3 266.429 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)Cc2ccccc2)C1 ZINC001267466098 775364017 /nfs/dbraw/zinc/36/40/17/775364017.db2.gz MNJGBHUXJZZPJU-GOSISDBHSA-N 0 3 298.430 2.565 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc(F)c[nH]2)C1 ZINC001267473095 775371528 /nfs/dbraw/zinc/37/15/28/775371528.db2.gz AFTUBMIROWFENT-AWEZNQCLSA-N 0 3 293.386 2.656 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001075489043 775373192 /nfs/dbraw/zinc/37/31/92/775373192.db2.gz RRQQDSYPABZYLO-GOEBONIOSA-N 0 3 288.366 2.548 20 30 CFEDHN C=CCC1(C(=O)N(C)CCNC/C=C/Cl)CCCC1 ZINC001267478113 775376962 /nfs/dbraw/zinc/37/69/62/775376962.db2.gz NDCHIRUSLIGYNA-UXBLZVDNSA-N 0 3 284.831 2.923 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001225278649 775388255 /nfs/dbraw/zinc/38/82/55/775388255.db2.gz WJVFHIHAKXZJQV-OAHLLOKOSA-N 0 3 292.467 2.910 20 30 CFEDHN N#Cc1cc2ccccc2nc1-n1nc(CN)c2ccccc21 ZINC001167695456 775502854 /nfs/dbraw/zinc/50/28/54/775502854.db2.gz JUNNCQAFIBGIBD-UHFFFAOYSA-N 0 3 299.337 2.904 20 30 CFEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025190001 775562823 /nfs/dbraw/zinc/56/28/23/775562823.db2.gz UPNINQRPAURURH-OLZOCXBDSA-N 0 3 286.366 2.673 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025190880 775564062 /nfs/dbraw/zinc/56/40/62/775564062.db2.gz CEXCMFFASYFACU-HZPDHXFCSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001025191500 775565358 /nfs/dbraw/zinc/56/53/58/775565358.db2.gz JVHZESNRQBLRRC-IRXDYDNUSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025252996 775581062 /nfs/dbraw/zinc/58/10/62/775581062.db2.gz RWVQIIPCGCMPGX-HOTGVXAUSA-N 0 3 288.435 2.655 20 30 CFEDHN C=C(C)CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001277071105 775587580 /nfs/dbraw/zinc/58/75/80/775587580.db2.gz BGEGWUZHCBTWFI-UHFFFAOYSA-N 0 3 297.402 2.653 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC001025313722 775596141 /nfs/dbraw/zinc/59/61/41/775596141.db2.gz RUGXJCYVPKTVQB-IAGOWNOFSA-N 0 3 298.430 2.849 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCC(CN(C)CCF)CC1 ZINC001267603353 775603202 /nfs/dbraw/zinc/60/32/02/775603202.db2.gz PVFIXQHJJXUGDY-INIZCTEOSA-N 0 3 284.419 2.729 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC1 ZINC000122245392 775637149 /nfs/dbraw/zinc/63/71/49/775637149.db2.gz GUQLWKZTYUASDP-NSHDSACASA-N 0 3 253.305 2.550 20 30 CFEDHN Cc1cc(C)c(C#N)c(OC2CCN(C3CC3)CC2)n1 ZINC001226091355 775694482 /nfs/dbraw/zinc/69/44/82/775694482.db2.gz OMQRFENRZVAJMV-UHFFFAOYSA-N 0 3 271.364 2.576 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)CCCCC)C[C@H]1C(F)(F)F ZINC001112047855 775842290 /nfs/dbraw/zinc/84/22/90/775842290.db2.gz PYLZNPDUDXYNGH-VXGBXAGGSA-N 0 3 292.345 2.732 20 30 CFEDHN CCN1CC[C@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226546951 775868862 /nfs/dbraw/zinc/86/88/62/775868862.db2.gz PPPHLQFVLUAWHG-ZDUSSCGKSA-N 0 3 273.380 2.724 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001267749443 775875544 /nfs/dbraw/zinc/87/55/44/775875544.db2.gz IZJKNMXGFGQZSF-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H](C)CCCC)C1 ZINC001267786213 775930007 /nfs/dbraw/zinc/93/00/07/775930007.db2.gz ZMMSVROTXUZHQP-JKSUJKDBSA-N 0 3 278.440 2.759 20 30 CFEDHN C/C=C(\C)C(=O)NC[C@H](CC)NCc1ccc(C#N)s1 ZINC001267798924 775941433 /nfs/dbraw/zinc/94/14/33/775941433.db2.gz ABNVVECAOJNDBA-QNCMIEPLSA-N 0 3 291.420 2.570 20 30 CFEDHN C#CCCCCC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001125950872 776169789 /nfs/dbraw/zinc/16/97/89/776169789.db2.gz BQBPMDPIRCEXOM-AWEZNQCLSA-N 0 3 290.382 2.786 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC001227312369 776176336 /nfs/dbraw/zinc/17/63/36/776176336.db2.gz KSCLLROIEGQXAV-AWEZNQCLSA-N 0 3 289.335 2.718 20 30 CFEDHN C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001027309180 776290414 /nfs/dbraw/zinc/29/04/14/776290414.db2.gz ZPWBYYNLKZKKRP-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001027309180 776290419 /nfs/dbraw/zinc/29/04/19/776290419.db2.gz ZPWBYYNLKZKKRP-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN N#Cc1ccc(CNCC2SCCS2)cc1F ZINC000692831875 776358958 /nfs/dbraw/zinc/35/89/58/776358958.db2.gz HCGZQVTXTHGEJD-UHFFFAOYSA-N 0 3 268.382 2.593 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccsc2Cl)C1 ZINC001027602151 776375532 /nfs/dbraw/zinc/37/55/32/776375532.db2.gz MFDKISYZZOIDLY-NSHDSACASA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001027603581 776378386 /nfs/dbraw/zinc/37/83/86/776378386.db2.gz LVYKDQQXOFPVFS-DOTOQJQBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001027658155 776399177 /nfs/dbraw/zinc/39/91/77/776399177.db2.gz FOIYKVCEJOVAIL-OAHLLOKOSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC001027671354 776403525 /nfs/dbraw/zinc/40/35/25/776403525.db2.gz UEBHTFHLBYCYQQ-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001027691556 776410120 /nfs/dbraw/zinc/41/01/20/776410120.db2.gz ZWGQVMBBZSNGCW-DLBZAZTESA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001027760853 776444472 /nfs/dbraw/zinc/44/44/72/776444472.db2.gz BAPBURJIQFXAQT-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001027760853 776444479 /nfs/dbraw/zinc/44/44/79/776444479.db2.gz BAPBURJIQFXAQT-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001027821251 776462731 /nfs/dbraw/zinc/46/27/31/776462731.db2.gz GETIYQWAQAWEJF-AWEZNQCLSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccsc1C ZINC001027868645 776485340 /nfs/dbraw/zinc/48/53/40/776485340.db2.gz QTVBYKUEWCZKBF-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CC)CC1 ZINC001228418732 776485845 /nfs/dbraw/zinc/48/58/45/776485845.db2.gz NUWNQKJYLRMVGG-CHWSQXEVSA-N 0 3 284.831 2.946 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027878951 776488119 /nfs/dbraw/zinc/48/81/19/776488119.db2.gz KWBZINYVLUWRBC-HUUCEWRRSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001028008825 776553184 /nfs/dbraw/zinc/55/31/84/776553184.db2.gz DLDMHOZNXRCZPO-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN C#Cc1ccc(C(=O)NC[C@@H]2CCCN2CC=C(C)C)cc1 ZINC001028066738 776582328 /nfs/dbraw/zinc/58/23/28/776582328.db2.gz HTFJESJTGDJHJC-SFHVURJKSA-N 0 3 296.414 2.828 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001028091523 776611257 /nfs/dbraw/zinc/61/12/57/776611257.db2.gz WFHRTLOVZAEFAR-CQSZACIVSA-N 0 3 289.423 2.908 20 30 CFEDHN C=CCc1ccccc1OC1CCN(CCOC)CC1 ZINC001228844772 776632496 /nfs/dbraw/zinc/63/24/96/776632496.db2.gz RRSWLXNTIYTRPT-UHFFFAOYSA-N 0 3 275.392 2.905 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028122550 776642428 /nfs/dbraw/zinc/64/24/28/776642428.db2.gz IZBWJAJTTFKFBI-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028122552 776642803 /nfs/dbraw/zinc/64/28/03/776642803.db2.gz IZBWJAJTTFKFBI-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C#C[C@@H](Oc1ccc2c(c1)CCN(C)C2)c1ccncc1 ZINC001228944085 776666187 /nfs/dbraw/zinc/66/61/87/776666187.db2.gz KYEDNHAEINNLAM-GOSISDBHSA-N 0 3 278.355 2.823 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001028168920 776676833 /nfs/dbraw/zinc/67/68/33/776676833.db2.gz NDWAQWFLAVBFEY-INIZCTEOSA-N 0 3 297.402 2.938 20 30 CFEDHN C#CCCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000692919482 776691309 /nfs/dbraw/zinc/69/13/09/776691309.db2.gz KPYKTAOMEFOMAG-IBGZPJMESA-N 0 3 298.430 2.961 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)CCc2ccsc2)C1 ZINC001268195086 776698937 /nfs/dbraw/zinc/69/89/37/776698937.db2.gz ZTSYWOGUQIOMDA-HNNXBMFYSA-N 0 3 292.448 2.837 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(CC[C@@H](C)F)C1 ZINC001268224252 776712450 /nfs/dbraw/zinc/71/24/50/776712450.db2.gz IDJCQYMVIKVGHO-KGLIPLIRSA-N 0 3 284.419 2.917 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)Cc1cccc(CC)c1 ZINC001268241091 776716560 /nfs/dbraw/zinc/71/65/60/776716560.db2.gz VMMPODMFQDOIOH-UHFFFAOYSA-N 0 3 288.435 2.758 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1cnc(C2CC2)s1 ZINC001268254884 776724419 /nfs/dbraw/zinc/72/44/19/776724419.db2.gz GGXQQIRGTMVBDW-UHFFFAOYSA-N 0 3 293.436 2.600 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)c1ccccc1 ZINC001268254663 776724751 /nfs/dbraw/zinc/72/47/51/776724751.db2.gz AYRPCGKYJPVQOB-HNNXBMFYSA-N 0 3 274.408 2.756 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC001229187403 776746259 /nfs/dbraw/zinc/74/62/59/776746259.db2.gz ZZJSVLHBAVKPBV-ZDUSSCGKSA-N 0 3 289.335 2.718 20 30 CFEDHN CC(C)CC(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001268341132 776754545 /nfs/dbraw/zinc/75/45/45/776754545.db2.gz XXXSYXZYKAQVKW-AWEZNQCLSA-N 0 3 287.407 2.589 20 30 CFEDHN C#CCN(C)CCCN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001280863573 776764232 /nfs/dbraw/zinc/76/42/32/776764232.db2.gz CODLNQMHQNSJJR-MJGOQNOKSA-N 0 3 298.430 2.594 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001028276487 776788340 /nfs/dbraw/zinc/78/83/40/776788340.db2.gz JNFUOAPCXDXZJP-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](F)c1ccccc1 ZINC001268405375 776789228 /nfs/dbraw/zinc/78/92/28/776789228.db2.gz PLLOHZAPNVAVFC-TZMCWYRMSA-N 0 3 298.789 2.934 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001028277830 776791544 /nfs/dbraw/zinc/79/15/44/776791544.db2.gz WWGFKOIAOZBGHL-AWEZNQCLSA-N 0 3 276.355 2.514 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001028277831 776791671 /nfs/dbraw/zinc/79/16/71/776791671.db2.gz WWGFKOIAOZBGHL-CQSZACIVSA-N 0 3 276.355 2.514 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281653 776805336 /nfs/dbraw/zinc/80/53/36/776805336.db2.gz NTBGVHXWUMNBRX-OAHLLOKOSA-N 0 3 290.794 2.558 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001028282976 776813296 /nfs/dbraw/zinc/81/32/96/776813296.db2.gz RPUGPMYAFMANDN-LBPRGKRZSA-N 0 3 294.345 2.735 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028286632 776824949 /nfs/dbraw/zinc/82/49/49/776824949.db2.gz XDIWEKZLTUYIRI-INIZCTEOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001028333331 776858576 /nfs/dbraw/zinc/85/85/76/776858576.db2.gz LBSCHVUNMVJEMM-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028334526 776859878 /nfs/dbraw/zinc/85/98/78/776859878.db2.gz CFGFABSJEMPZJI-CKUJCDMFSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028338447 776861363 /nfs/dbraw/zinc/86/13/63/776861363.db2.gz AOBQATJXKBWYDW-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1cnccc1C ZINC001268646168 777008383 /nfs/dbraw/zinc/00/83/83/777008383.db2.gz CDFPLSVVZNSEBY-CQSZACIVSA-N 0 3 289.423 2.587 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001268749977 777043921 /nfs/dbraw/zinc/04/39/21/777043921.db2.gz GVFVHNWKRHXVOM-KYJSFNMBSA-N 0 3 286.419 2.803 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC001268754980 777046276 /nfs/dbraw/zinc/04/62/76/777046276.db2.gz NWOGVMYFRYRYGD-LLVKDONJSA-N 0 3 266.772 2.576 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230702605 777046935 /nfs/dbraw/zinc/04/69/35/777046935.db2.gz NPAXZLHMDBHZPD-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccoc1C(C)C ZINC001268760682 777048395 /nfs/dbraw/zinc/04/83/95/777048395.db2.gz WWXLIDGYAGYRJF-LBPRGKRZSA-N 0 3 264.369 2.639 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230809695 777070097 /nfs/dbraw/zinc/07/00/97/777070097.db2.gz HEUBKXFPHGRICT-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C)c1 ZINC001268974627 777081702 /nfs/dbraw/zinc/08/17/02/777081702.db2.gz YOMCFUJDFOXUSR-PVAVHDDUSA-N 0 3 299.418 2.643 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CCCOC ZINC001230906137 777089456 /nfs/dbraw/zinc/08/94/56/777089456.db2.gz DBYNWZZYDZPLEH-MRXNPFEDSA-N 0 3 298.471 2.916 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(CCCCCF)C2)C1 ZINC001269061230 777094298 /nfs/dbraw/zinc/09/42/98/777094298.db2.gz HCRDCWJPCLQSFL-AWEZNQCLSA-N 0 3 282.403 2.673 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230939845 777097399 /nfs/dbraw/zinc/09/73/99/777097399.db2.gz VHLVAVDIBPPVNP-AWEZNQCLSA-N 0 3 284.469 2.629 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001269181998 777131316 /nfs/dbraw/zinc/13/13/16/777131316.db2.gz AYWRROSFQXHNHY-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C#CCCCC(=O)NC[C@H]1CCN1CCCc1ccccc1 ZINC001269224288 777143067 /nfs/dbraw/zinc/14/30/67/777143067.db2.gz UPWJNRCFLYWBTK-GOSISDBHSA-N 0 3 298.430 2.613 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001269291590 777161085 /nfs/dbraw/zinc/16/10/85/777161085.db2.gz KPSAKSNNNABYMN-RBSFLKMASA-N 0 3 288.391 2.540 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001269352498 777175532 /nfs/dbraw/zinc/17/55/32/777175532.db2.gz UUMFJDFECZGFLC-INIZCTEOSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCOC(=O)c1ccc(O[C@H]2CCCN(C)C2)cc1 ZINC001231303213 777187070 /nfs/dbraw/zinc/18/70/70/777187070.db2.gz QZIDBBNUDNLPMT-HNNXBMFYSA-N 0 3 275.348 2.502 20 30 CFEDHN C=C(C)C(=O)Nc1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC001231315373 777189512 /nfs/dbraw/zinc/18/95/12/777189512.db2.gz PLSNBTFTNPEQTB-MRXNPFEDSA-N 0 3 286.375 2.674 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001028769550 777231200 /nfs/dbraw/zinc/23/12/00/777231200.db2.gz AFVHJOARDPFNAJ-KRWDZBQOSA-N 0 3 298.430 2.714 20 30 CFEDHN CC1(C#N)CCN(Cc2c[nH]c3cccnc23)CC1 ZINC001231491347 777238151 /nfs/dbraw/zinc/23/81/51/777238151.db2.gz OKKFCMFYPKDBOA-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN CC#CCN1CC[C@]2(CCN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001269741742 777240333 /nfs/dbraw/zinc/24/03/33/777240333.db2.gz OQSDIBMWONAZTR-WMZOPIPTSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCN(C)Cc1ccc(OC)c(OCCCOC)c1 ZINC001231609984 777278195 /nfs/dbraw/zinc/27/81/95/777278195.db2.gz RHCBEWVRXANGTQ-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN C=CCCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270015832 777289227 /nfs/dbraw/zinc/28/92/27/777289227.db2.gz NZUJKDLKJAGGPY-GOSISDBHSA-N 0 3 296.414 2.585 20 30 CFEDHN C=CCCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1 ZINC001270015833 777289443 /nfs/dbraw/zinc/28/94/43/777289443.db2.gz NZUJKDLKJAGGPY-SFHVURJKSA-N 0 3 296.414 2.585 20 30 CFEDHN C#Cc1cccc(CN2CCC3(CCC(=O)N3CC)CC2)c1 ZINC001231655024 777294105 /nfs/dbraw/zinc/29/41/05/777294105.db2.gz JZCNJPLGPBLAPT-UHFFFAOYSA-N 0 3 296.414 2.645 20 30 CFEDHN C#Cc1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC001231659428 777297607 /nfs/dbraw/zinc/29/76/07/777297607.db2.gz LJMMRHHOBBVUEE-GOSISDBHSA-N 0 3 278.355 2.716 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)C2CCC(=C)CC2)cc1 ZINC001270075168 777304254 /nfs/dbraw/zinc/30/42/54/777304254.db2.gz BKFSFLVEAAGYMH-UHFFFAOYSA-N 0 3 296.414 2.772 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001028946512 777335520 /nfs/dbraw/zinc/33/55/20/777335520.db2.gz JBBHATHQZZONEE-HNNXBMFYSA-N 0 3 298.430 2.669 20 30 CFEDHN CC(=O)C1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC001231820783 777343297 /nfs/dbraw/zinc/34/32/97/777343297.db2.gz SOZAMRWNAYHOTG-UHFFFAOYSA-N 0 3 299.418 2.837 20 30 CFEDHN C#CCN(C(=O)CCC1CCC1)C1CCN(CC=C)CC1 ZINC001270302374 777352810 /nfs/dbraw/zinc/35/28/10/777352810.db2.gz WVWIFFYRBBCIHE-UHFFFAOYSA-N 0 3 288.435 2.679 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001029011319 777379870 /nfs/dbraw/zinc/37/98/70/777379870.db2.gz IFDQCACIVYGDLG-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN N#CCCN(Cc1cc2c[nH]ccc-2n1)Cc1cccnc1 ZINC001232012366 777413268 /nfs/dbraw/zinc/41/32/68/777413268.db2.gz ZSRCGLTXDJUKQC-UHFFFAOYSA-N 0 3 291.358 2.874 20 30 CFEDHN N#CCCN(Cc1cc2cnccc2[nH]1)Cc1cccnc1 ZINC001232012366 777413273 /nfs/dbraw/zinc/41/32/73/777413273.db2.gz ZSRCGLTXDJUKQC-UHFFFAOYSA-N 0 3 291.358 2.874 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001270648478 777440552 /nfs/dbraw/zinc/44/05/52/777440552.db2.gz HVEXRCYZBNCGIU-DGCLKSJQSA-N 0 3 292.345 2.732 20 30 CFEDHN C[C@]1(O)CCCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232111969 777444075 /nfs/dbraw/zinc/44/40/75/777444075.db2.gz NDJASOFYABXXSY-HNNXBMFYSA-N 0 3 278.783 2.949 20 30 CFEDHN C[C@@]1(O)CCCCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232111970 777444101 /nfs/dbraw/zinc/44/41/01/777444101.db2.gz NDJASOFYABXXSY-OAHLLOKOSA-N 0 3 278.783 2.949 20 30 CFEDHN CCN1CCN(Cc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC001232115106 777444501 /nfs/dbraw/zinc/44/45/01/777444501.db2.gz CLBUSMGMRGUBJV-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1CC ZINC001087492194 777504702 /nfs/dbraw/zinc/50/47/02/777504702.db2.gz LWINKMJCEDUFOF-JKSUJKDBSA-N 0 3 272.392 2.764 20 30 CFEDHN COc1ccccc1[C@@H]1CCN(Cc2cc(C#N)ccn2)C1 ZINC001232474747 777575069 /nfs/dbraw/zinc/57/50/69/777575069.db2.gz ISQHSDFRSNOHIM-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN CC#CCN1CCC[C@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001270941550 777609791 /nfs/dbraw/zinc/60/97/91/777609791.db2.gz VJPHGZQSMBGLEV-QGZVFWFLSA-N 0 3 278.440 2.664 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNC[C@@H](F)CC ZINC001270975795 777618900 /nfs/dbraw/zinc/61/89/00/777618900.db2.gz ILSCQLXGZGWIFI-STQMWFEESA-N 0 3 258.381 2.527 20 30 CFEDHN C=CCN1CCC[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001270990503 777622304 /nfs/dbraw/zinc/62/23/04/777622304.db2.gz BPZVSDKEWWBVHS-MRXNPFEDSA-N 0 3 278.440 2.971 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2csnc2C)[C@H]1CC ZINC001087546085 777638357 /nfs/dbraw/zinc/63/83/57/777638357.db2.gz OYDRUIGSYCROFI-UONOGXRCSA-N 0 3 293.436 2.610 20 30 CFEDHN Cc1c(Cl)nccc1CN1CCC2SC(=O)C=C2C1 ZINC001232749687 777656878 /nfs/dbraw/zinc/65/68/78/777656878.db2.gz OKEJTNBYQIQVFZ-GFCCVEGCSA-N 0 3 294.807 2.818 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1CC ZINC001087603526 777666126 /nfs/dbraw/zinc/66/61/26/777666126.db2.gz VEXMTTDZDWDNLX-LSDHHAIUSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1CC ZINC001087703954 777682956 /nfs/dbraw/zinc/68/29/56/777682956.db2.gz WQXJMKPJUWZUJA-LSDHHAIUSA-N 0 3 287.407 2.661 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)CC[C@]1(C)O ZINC001232842178 777684028 /nfs/dbraw/zinc/68/40/28/777684028.db2.gz NERWCBSQPHESKR-RISCZKNCSA-N 0 3 264.394 2.603 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1CC ZINC001087820420 777707585 /nfs/dbraw/zinc/70/75/85/777707585.db2.gz BFRMDXRYWSXEPG-LSDHHAIUSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)CC)[C@H](OC)C1 ZINC001211880120 777709057 /nfs/dbraw/zinc/70/90/57/777709057.db2.gz OALTZGSFXKYXQN-ARFHVFGLSA-N 0 3 296.455 2.594 20 30 CFEDHN CC1(C)OCCC12CCN(Cc1cccc(C#N)n1)CC2 ZINC001232927269 777724728 /nfs/dbraw/zinc/72/47/28/777724728.db2.gz WNOUJQVNDJQMGG-UHFFFAOYSA-N 0 3 285.391 2.734 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232967390 777743095 /nfs/dbraw/zinc/74/30/95/777743095.db2.gz KLPLWHZLWHGMLK-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CSc1nc(CN2C[C@H]3CCC[C@@H]3C2)ccc1C#N ZINC001141929054 777790361 /nfs/dbraw/zinc/79/03/61/777790361.db2.gz JPURBEVPBIDJAU-CHWSQXEVSA-N 0 3 273.405 2.907 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCc2c(cc[nH]c2=O)C1 ZINC001233082339 777791881 /nfs/dbraw/zinc/79/18/81/777791881.db2.gz IVTGVVXLGYIMAQ-UHFFFAOYSA-N 0 3 279.343 2.526 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001277759180 777792853 /nfs/dbraw/zinc/79/28/53/777792853.db2.gz HFKUMUUMMMVEQI-KBPBESRZSA-N 0 3 290.407 2.797 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H](F)CC)C[C@H]2C1 ZINC001088066929 777801915 /nfs/dbraw/zinc/80/19/15/777801915.db2.gz GPVHGYQZPKIZBB-ILXRZTDVSA-N 0 3 296.430 2.727 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CC)C1 ZINC001088241355 777910588 /nfs/dbraw/zinc/91/05/88/777910588.db2.gz WYCQVNLEZXPXQJ-GFCCVEGCSA-N 0 3 258.793 2.510 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075864101 777981289 /nfs/dbraw/zinc/98/12/89/777981289.db2.gz XEDQMQJTMUBKBI-HZSPNIEDSA-N 0 3 298.377 2.531 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233728401 778054688 /nfs/dbraw/zinc/05/46/88/778054688.db2.gz BOMAHJGNYADOSA-UONOGXRCSA-N 0 3 284.469 2.627 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234038917 778149442 /nfs/dbraw/zinc/14/94/42/778149442.db2.gz GZVUYZHLORVLFI-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)O ZINC001234039675 778149537 /nfs/dbraw/zinc/14/95/37/778149537.db2.gz ODZVRZASPGVFDT-OAHLLOKOSA-N 0 3 298.471 2.651 20 30 CFEDHN C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234108295 778167931 /nfs/dbraw/zinc/16/79/31/778167931.db2.gz SPLGBMNIRLLCDM-CQSZACIVSA-N 0 3 290.407 2.799 20 30 CFEDHN C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1[O-] ZINC001234108295 778167933 /nfs/dbraw/zinc/16/79/33/778167933.db2.gz SPLGBMNIRLLCDM-CQSZACIVSA-N 0 3 290.407 2.799 20 30 CFEDHN CC/C=C/CCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206113 778186478 /nfs/dbraw/zinc/18/64/78/778186478.db2.gz MZYPHCHWHUYBSI-WAVCKPEOSA-N 0 3 290.451 2.925 20 30 CFEDHN CCCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215551 778187671 /nfs/dbraw/zinc/18/76/71/778187671.db2.gz MNEUCKRHZDHVMM-OAHLLOKOSA-N 0 3 278.440 2.759 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CC ZINC001272035376 778191568 /nfs/dbraw/zinc/19/15/68/778191568.db2.gz VMQLHWFKONIIHK-ZACQAIPSSA-N 0 3 288.435 2.677 20 30 CFEDHN C=C[C@H](C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234238544 778191883 /nfs/dbraw/zinc/19/18/83/778191883.db2.gz MCGGMRAFDPMOIH-JTQLQIEISA-N 0 3 253.317 2.849 20 30 CFEDHN COc1cc(CN(C)C)cc(F)c1O[C@H](C)CS ZINC001234240964 778192270 /nfs/dbraw/zinc/19/22/70/778192270.db2.gz NKKZBXOSGQBMNO-SECBINFHSA-N 0 3 273.373 2.593 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234305209 778205436 /nfs/dbraw/zinc/20/54/36/778205436.db2.gz RHXUINNXSPMUFU-LBPRGKRZSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC001088551194 778219385 /nfs/dbraw/zinc/21/93/85/778219385.db2.gz OZJUTQBBNPISJT-OCCSQVGLSA-N 0 3 276.380 2.665 20 30 CFEDHN CCN1CCC[C@H](Oc2nc3cc(C#N)ccc3o2)C1 ZINC001234461434 778232311 /nfs/dbraw/zinc/23/23/11/778232311.db2.gz ZFCRIWBLIAAVOP-LBPRGKRZSA-N 0 3 271.320 2.563 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1CCC ZINC001234510105 778239399 /nfs/dbraw/zinc/23/93/99/778239399.db2.gz UPBMLPGGXQMYCO-HNNXBMFYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234536594 778246446 /nfs/dbraw/zinc/24/64/46/778246446.db2.gz FPMAWTQMIGQWHD-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN CCOC(=O)C1(C#N)CCN(C2CCC(C)CC2)CC1 ZINC001168221875 778256892 /nfs/dbraw/zinc/25/68/92/778256892.db2.gz SIWDBXWVIUGDCE-UHFFFAOYSA-N 0 3 278.396 2.734 20 30 CFEDHN C#CCN(Cc1ccc2c(c1)OC(F)(F)O2)CC1CC1 ZINC001168235870 778261051 /nfs/dbraw/zinc/26/10/51/778261051.db2.gz YXDFWEWEBPBENO-UHFFFAOYSA-N 0 3 279.286 2.853 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NCc1ccccc1C#N)C2 ZINC001168235381 778261129 /nfs/dbraw/zinc/26/11/29/778261129.db2.gz IMDJPSHRRQWMJU-KRWDZBQOSA-N 0 3 278.355 2.824 20 30 CFEDHN C=CCN1C[C@@H]2CCCN(C(=O)C[C@H](C=C)CC)[C@@H]2C1 ZINC001272078516 778275744 /nfs/dbraw/zinc/27/57/44/778275744.db2.gz LYHDLJKNBUOART-OWCLPIDISA-N 0 3 276.424 2.698 20 30 CFEDHN C#C[C@H](Oc1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC001234660293 778280850 /nfs/dbraw/zinc/28/08/50/778280850.db2.gz FVNJZXBBQBTAQE-SFHVURJKSA-N 0 3 286.419 2.865 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586235 778305548 /nfs/dbraw/zinc/30/55/48/778305548.db2.gz KYBJFGJGLZVMAB-ZACQAIPSSA-N 0 3 288.435 2.725 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)CC(C)(C)C2CC2)C[C@H]1C ZINC001281665241 778307538 /nfs/dbraw/zinc/30/75/38/778307538.db2.gz QBFJBEPFRQUKER-ZBFHGGJFSA-N 0 3 290.451 2.805 20 30 CFEDHN CC1(C#N)CCN(Cc2cccc(N3CCOCC3)c2)CC1 ZINC001235084574 778375845 /nfs/dbraw/zinc/37/58/45/778375845.db2.gz YYHJLJZLZCBUIR-UHFFFAOYSA-N 0 3 299.418 2.649 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC000989628688 778420756 /nfs/dbraw/zinc/42/07/56/778420756.db2.gz JQSMNBNTTZCSDS-DOMZBBRYSA-N 0 3 298.411 2.727 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC001088714747 778452496 /nfs/dbraw/zinc/45/24/96/778452496.db2.gz ZLKNQMSFGUPHJJ-DOMZBBRYSA-N 0 3 290.432 2.581 20 30 CFEDHN C=CCN(CC=C)Cc1cc(C)c(OCCO)c(C)c1 ZINC001235357274 778467628 /nfs/dbraw/zinc/46/76/28/778467628.db2.gz KPJQPQLTNHEKLO-UHFFFAOYSA-N 0 3 275.392 2.849 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088774385 778485945 /nfs/dbraw/zinc/48/59/45/778485945.db2.gz KVEPEOLOBAKNDI-HIFRSBDPSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCCC(=O)NCCCN(C)Cc1csc(C)c1 ZINC001235451493 778495044 /nfs/dbraw/zinc/49/50/44/778495044.db2.gz KQSZUBFOCXBMQL-UHFFFAOYSA-N 0 3 280.437 2.961 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000128368026 778507118 /nfs/dbraw/zinc/50/71/18/778507118.db2.gz OXFWWNYTKCDPLA-AWEZNQCLSA-N 0 3 270.332 2.696 20 30 CFEDHN CCCC(=O)C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000128472217 778526422 /nfs/dbraw/zinc/52/64/22/778526422.db2.gz PUJATOPWHVWNLG-CYBMUJFWSA-N 0 3 258.321 2.696 20 30 CFEDHN C=CCN(C)Cc1ccc(O)c(OC(F)(F)F)c1 ZINC001235671819 778531463 /nfs/dbraw/zinc/53/14/63/778531463.db2.gz ZRWYOEHOOXPKSV-UHFFFAOYSA-N 0 3 261.243 2.909 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001235682424 778535036 /nfs/dbraw/zinc/53/50/36/778535036.db2.gz DIOWGXJGPQSAOG-STQMWFEESA-N 0 3 286.366 2.531 20 30 CFEDHN C[C@H](NCCNC(=O)C#CC(C)(C)C)c1cccc(F)c1 ZINC001126907823 778538665 /nfs/dbraw/zinc/53/86/65/778538665.db2.gz WKMDRUPLXFRZGZ-ZDUSSCGKSA-N 0 3 290.382 2.642 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235761555 778553841 /nfs/dbraw/zinc/55/38/41/778553841.db2.gz TWYZDYUJJVGFSZ-CVEARBPZSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)[C@@H]2C1 ZINC001076193397 778574706 /nfs/dbraw/zinc/57/47/06/778574706.db2.gz HMSZQICWWWWWHJ-ZWKOTPCHSA-N 0 3 298.430 2.971 20 30 CFEDHN CCCCCCC[C@@H](C)OCCN1CCN(C)CC1 ZINC001224553031 778576140 /nfs/dbraw/zinc/57/61/40/778576140.db2.gz VUIKXJCQJUHWIK-MRXNPFEDSA-N 0 3 270.461 2.999 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001076240138 778577607 /nfs/dbraw/zinc/57/76/07/778577607.db2.gz MFPYVVWZIXUUOG-GOEBONIOSA-N 0 3 299.418 2.615 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc4[nH]ccc43)[C@@H]2C1 ZINC001076275872 778580183 /nfs/dbraw/zinc/58/01/83/778580183.db2.gz JXLWFZJBKCVKAH-SUMWQHHRSA-N 0 3 295.386 2.500 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3ccc(CC)cc3)[C@@H]2C1 ZINC001076296223 778581496 /nfs/dbraw/zinc/58/14/96/778581496.db2.gz UQHYMHLSBUAOFN-ZWKOTPCHSA-N 0 3 298.430 2.510 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2C1 ZINC001076481125 778591048 /nfs/dbraw/zinc/59/10/48/778591048.db2.gz BHRSCTCWQBDWMS-WNRNVDISSA-N 0 3 296.414 2.509 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC001088875653 778931378 /nfs/dbraw/zinc/93/13/78/778931378.db2.gz VPOOZICGUTVZHI-PBHICJAKSA-N 0 3 282.387 2.546 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H]1C ZINC001088941072 778956821 /nfs/dbraw/zinc/95/68/21/778956821.db2.gz DVAZCSHLTMURBH-CJNGLKHVSA-N 0 3 298.386 2.740 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1sccc1C(C)C ZINC001278025120 778978881 /nfs/dbraw/zinc/97/88/81/778978881.db2.gz KSBVUKCVAQVZKU-ZDUSSCGKSA-N 0 3 292.448 2.945 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089065223 778984421 /nfs/dbraw/zinc/98/44/21/778984421.db2.gz UTXNRYHACWOMLF-KDOFPFPSSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089067388 778985635 /nfs/dbraw/zinc/98/56/35/778985635.db2.gz DZDCZVNUDTYYLL-PMPSAXMXSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055571 779001587 /nfs/dbraw/zinc/00/15/87/779001587.db2.gz GGUYGKOXOZBKOO-UHFFFAOYSA-N 0 3 275.270 2.951 20 30 CFEDHN C=CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237055571 779001591 /nfs/dbraw/zinc/00/15/91/779001591.db2.gz GGUYGKOXOZBKOO-UHFFFAOYSA-N 0 3 275.270 2.951 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001272392302 779075249 /nfs/dbraw/zinc/07/52/49/779075249.db2.gz HBYXMYDZFZHQNB-ZDUSSCGKSA-N 0 3 295.814 2.517 20 30 CFEDHN COc1ccc2c(c1)n[nH]c2CN1CCC(C)(C#N)CC1 ZINC001237388425 779090747 /nfs/dbraw/zinc/09/07/47/779090747.db2.gz IVNAQEVEZVYTJL-UHFFFAOYSA-N 0 3 284.363 2.697 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCc2c1cccc2C ZINC001121872356 779120782 /nfs/dbraw/zinc/12/07/82/779120782.db2.gz JAWDXROPDXMZBF-HZPDHXFCSA-N 0 3 272.392 2.782 20 30 CFEDHN COc1cc(CN2CCC[C@@H](C#N)CC2)c(O)c(OC)c1 ZINC001237679403 779159890 /nfs/dbraw/zinc/15/98/90/779159890.db2.gz USBFUVAFMQLUEC-GFCCVEGCSA-N 0 3 290.363 2.535 20 30 CFEDHN C#CCN(C(=O)[C@@H](C)CCC)C1CCN(CC=C)CC1 ZINC001278137415 779169359 /nfs/dbraw/zinc/16/93/59/779169359.db2.gz OBWSYXARMZUNCJ-HNNXBMFYSA-N 0 3 276.424 2.535 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCC2)CC(C)(C)C1 ZINC001089303590 779175553 /nfs/dbraw/zinc/17/55/53/779175553.db2.gz QQXNRXKHZDUYPA-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN CCN(CCn1ccnc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237756222 779175736 /nfs/dbraw/zinc/17/57/36/779175736.db2.gz XSTVIPGNOOISHB-UHFFFAOYSA-N 0 3 288.782 2.930 20 30 CFEDHN C#CCN(C(=O)CC(C)(C)C=C)C1CCN(CC=C)CC1 ZINC001278157455 779196581 /nfs/dbraw/zinc/19/65/81/779196581.db2.gz MMAJOZGHWRPWGS-UHFFFAOYSA-N 0 3 288.435 2.701 20 30 CFEDHN CCc1cc(CN2CCC[C@@H](OC)C2)ccc1C#N ZINC001238766395 779385936 /nfs/dbraw/zinc/38/59/36/779385936.db2.gz LDDCATYDCGBXBU-MRXNPFEDSA-N 0 3 258.365 2.731 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046866988 779398646 /nfs/dbraw/zinc/39/86/46/779398646.db2.gz QJMFSLCOPMCELH-KRWDZBQOSA-N 0 3 290.382 2.926 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)CC(C)(C)C1 ZINC001089417281 779460391 /nfs/dbraw/zinc/46/03/91/779460391.db2.gz XQHZDGKGSGBDQM-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(F)CCCC2)CC(C)(C)C1 ZINC001089425704 779464976 /nfs/dbraw/zinc/46/49/76/779464976.db2.gz DAVSBGJAOOBYBY-CQSZACIVSA-N 0 3 294.414 2.509 20 30 CFEDHN C#CCCN(C)Cc1ccccc1CNC(=O)C1CC=CC1 ZINC001272669464 779503934 /nfs/dbraw/zinc/50/39/34/779503934.db2.gz CYVTYXUWUDSCMX-UHFFFAOYSA-N 0 3 296.414 2.724 20 30 CFEDHN CCCCCCCCOC(=O)N[C@@H]1CCNC[C@@H]1F ZINC001239315172 779509436 /nfs/dbraw/zinc/50/94/36/779509436.db2.gz LTVPCBMVFGBHAH-QWHCGFSZSA-N 0 3 274.380 2.773 20 30 CFEDHN CCCCCCCNC(=S)N1CCN[C@H](C(C)C)C1 ZINC001239434194 779565209 /nfs/dbraw/zinc/56/52/09/779565209.db2.gz JRVQKOZHTNSUFC-AWEZNQCLSA-N 0 3 285.501 2.761 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089702030 779573439 /nfs/dbraw/zinc/57/34/39/779573439.db2.gz SZCAHFQJKQLNGX-ZIAGYGMSSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2cscc2Cl)C1 ZINC001031753328 779588969 /nfs/dbraw/zinc/58/89/69/779588969.db2.gz IXOXCYUZPYAXMM-UHFFFAOYSA-N 0 3 284.812 2.639 20 30 CFEDHN C=C(C)CCC(=O)N[C@@H]1CN(CCCCCC)C[C@H]1OC ZINC001212344533 779637449 /nfs/dbraw/zinc/63/74/49/779637449.db2.gz ATYOJHNGWWSJBD-HZPDHXFCSA-N 0 3 296.455 2.738 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccncc1C ZINC001272716941 779715776 /nfs/dbraw/zinc/71/57/76/779715776.db2.gz NINMZOUEUHLXSZ-IAGOWNOFSA-N 0 3 299.418 2.531 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2cccc3ccccc32)C1 ZINC001032168044 779751921 /nfs/dbraw/zinc/75/19/21/779751921.db2.gz NJMICRIWMNPICL-UHFFFAOYSA-N 0 3 292.382 2.525 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001032209112 779765328 /nfs/dbraw/zinc/76/53/28/779765328.db2.gz KXMHRWNRGDBMIA-UHFFFAOYSA-N 0 3 298.386 2.979 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCC1 ZINC001032259987 779797739 /nfs/dbraw/zinc/79/77/39/779797739.db2.gz ZSJYSRAYMMBOPT-HOTGVXAUSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1 ZINC001032262076 779798655 /nfs/dbraw/zinc/79/86/55/779798655.db2.gz LCKGTFROKBXODC-IRXDYDNUSA-N 0 3 284.403 2.860 20 30 CFEDHN CN(C)Cc1cccc(-c2cc(F)c(C#N)c(F)c2)n1 ZINC001239922191 779860466 /nfs/dbraw/zinc/86/04/66/779860466.db2.gz SZPMSNHPYGLPJK-UHFFFAOYSA-N 0 3 273.286 2.960 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107851901 779908887 /nfs/dbraw/zinc/90/88/87/779908887.db2.gz COYAQPVWPAMYCD-KECYGNHHSA-N 0 3 294.439 2.514 20 30 CFEDHN C#CCOCCN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001168543825 779920817 /nfs/dbraw/zinc/92/08/17/779920817.db2.gz WLINQOZEEABVEU-OAHLLOKOSA-N 0 3 265.303 2.655 20 30 CFEDHN C[C@H]1CCC[C@@H]1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001127921937 779938668 /nfs/dbraw/zinc/93/86/68/779938668.db2.gz LWMVEZGPGZVCHR-WMLDXEAASA-N 0 3 299.418 2.590 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)cccc1C ZINC001032427632 779953144 /nfs/dbraw/zinc/95/31/44/779953144.db2.gz GHOXXTBCIYZLED-IRXDYDNUSA-N 0 3 298.430 2.707 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc21 ZINC001032597354 780060967 /nfs/dbraw/zinc/06/09/67/780060967.db2.gz NBFRNQMQXLTNLP-XYJFISCASA-N 0 3 296.414 2.578 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccsc1 ZINC001032622571 780081105 /nfs/dbraw/zinc/08/11/05/780081105.db2.gz RGRBXESRRGPQAU-QEJZJMRPSA-N 0 3 290.432 2.713 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccco1 ZINC001032624752 780082983 /nfs/dbraw/zinc/08/29/83/780082983.db2.gz UOLBNFGFDJUPLV-KKUMJFAQSA-N 0 3 288.391 2.634 20 30 CFEDHN C[C@H](O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000140217814 780107551 /nfs/dbraw/zinc/10/75/51/780107551.db2.gz PLFKSHQENVGUSK-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN N#Cc1ncc(C2=CCCN(Cc3ccccc3)C2)cn1 ZINC001240386549 780129922 /nfs/dbraw/zinc/12/99/22/780129922.db2.gz CFRLPQXHODPOLT-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC(C)C)cc1 ZINC000131674342 780158352 /nfs/dbraw/zinc/15/83/52/780158352.db2.gz VJQLYDLSBQXLDW-AWEZNQCLSA-N 0 3 288.347 2.779 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)cc1 ZINC001032738818 780161260 /nfs/dbraw/zinc/16/12/60/780161260.db2.gz PKYBSROVVBTRRF-SZMVWBNQSA-N 0 3 298.430 2.960 20 30 CFEDHN CCC(C)(C)CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001128143835 780218779 /nfs/dbraw/zinc/21/87/79/780218779.db2.gz ALFOWZARIGWIRR-UHFFFAOYSA-N 0 3 287.407 2.590 20 30 CFEDHN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769756 780225616 /nfs/dbraw/zinc/22/56/16/780225616.db2.gz PZWLMPCJGABHGX-SOUVJXGZSA-N 0 3 264.413 2.530 20 30 CFEDHN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C)c1ccccc1 ZINC001032797456 780251035 /nfs/dbraw/zinc/25/10/35/780251035.db2.gz UGDAZTHRTLYQIT-YESZJQIVSA-N 0 3 284.403 2.650 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)c2ccco2)C12CCC2 ZINC001078538194 780272223 /nfs/dbraw/zinc/27/22/23/780272223.db2.gz BYGNARPNGMGBBV-CHWSQXEVSA-N 0 3 294.782 2.663 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CC=CC2)C12CCC2 ZINC001078584166 780279681 /nfs/dbraw/zinc/27/96/81/780279681.db2.gz WCPYXNSQQUBGSQ-KGLIPLIRSA-N 0 3 294.826 2.722 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC2CCC2)C12CCC2 ZINC001078586169 780280391 /nfs/dbraw/zinc/28/03/91/780280391.db2.gz LLLYGKLCWACGMQ-ZIAGYGMSSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2=CCCC2)C12CCC2 ZINC001078589196 780280573 /nfs/dbraw/zinc/28/05/73/780280573.db2.gz NTEPKFQFKYJIGV-KGLIPLIRSA-N 0 3 294.826 2.866 20 30 CFEDHN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccsc1 ZINC001272936898 780315472 /nfs/dbraw/zinc/31/54/72/780315472.db2.gz VHFMCEPJHUOBNV-INIZCTEOSA-N 0 3 290.432 2.891 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1ccsc1 ZINC001128246314 780368320 /nfs/dbraw/zinc/36/83/20/780368320.db2.gz VTTKWRIQHCJPEG-UHFFFAOYSA-N 0 3 266.410 2.556 20 30 CFEDHN CC(C)O[C@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000451490169 780371316 /nfs/dbraw/zinc/37/13/16/780371316.db2.gz DBFGAITZPGMARG-STQMWFEESA-N 0 3 250.386 2.862 20 30 CFEDHN C=CCN1CC2(CCC1=O)CCN(Cc1ccoc1)CC2 ZINC001272982273 780436768 /nfs/dbraw/zinc/43/67/68/780436768.db2.gz AZQWFASWPQYFOD-UHFFFAOYSA-N 0 3 288.391 2.670 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H]1Cc2ccccc21 ZINC001272984994 780444588 /nfs/dbraw/zinc/44/45/88/780444588.db2.gz JKPLQDFEDYQYTJ-DOMZBBRYSA-N 0 3 292.810 2.563 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@@H]1Cc2ccccc21 ZINC001272985000 780444628 /nfs/dbraw/zinc/44/46/28/780444628.db2.gz JKPLQDFEDYQYTJ-IUODEOHRSA-N 0 3 292.810 2.563 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccccc2F)C1 ZINC001032873657 780492460 /nfs/dbraw/zinc/49/24/60/780492460.db2.gz AFJOTGLSXJPTJU-CYBMUJFWSA-N 0 3 276.355 2.548 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880512 780499481 /nfs/dbraw/zinc/49/94/81/780499481.db2.gz OKRCNJSUZPSLFP-MRXNPFEDSA-N 0 3 272.392 2.717 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033172587 780589482 /nfs/dbraw/zinc/58/94/82/780589482.db2.gz LSDUVZKCLNXRER-NSHDSACASA-N 0 3 296.823 2.571 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc(CC)c2)C1 ZINC001033209497 780618591 /nfs/dbraw/zinc/61/85/91/780618591.db2.gz SGHXRVIENHZFFW-KRWDZBQOSA-N 0 3 286.419 2.510 20 30 CFEDHN C#CCN1CCC2(CCN(C(=O)c3cccc(C)c3)C2)CC1 ZINC001040588502 780642622 /nfs/dbraw/zinc/64/26/22/780642622.db2.gz ARBMQFYBJZQQFJ-UHFFFAOYSA-N 0 3 296.414 2.556 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033355273 780666230 /nfs/dbraw/zinc/66/62/30/780666230.db2.gz JSUGRTIMUUZADN-OAHLLOKOSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370817 780667697 /nfs/dbraw/zinc/66/76/97/780667697.db2.gz VDTDZLJKBHGBTI-GOSISDBHSA-N 0 3 298.430 2.809 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033371875 780667859 /nfs/dbraw/zinc/66/78/59/780667859.db2.gz XJVCZKADCRAAMD-SNVBAGLBSA-N 0 3 299.827 2.519 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033443772 780683558 /nfs/dbraw/zinc/68/35/58/780683558.db2.gz QQBUTZQHNGCQCU-MRXNPFEDSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033562215 780715240 /nfs/dbraw/zinc/71/52/40/780715240.db2.gz NQOKLTZTMQCUED-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033600355 780725467 /nfs/dbraw/zinc/72/54/67/780725467.db2.gz DWSZOZYJSAOYHK-ULQDDVLXSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033604679 780728292 /nfs/dbraw/zinc/72/82/92/780728292.db2.gz DSHIWQYBFFKUFK-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033706716 780756192 /nfs/dbraw/zinc/75/61/92/780756192.db2.gz XBQIKXHRBXCBKZ-GPANFISMSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033716163 780762348 /nfs/dbraw/zinc/76/23/48/780762348.db2.gz TWRYSZKXUQJEKG-AWEZNQCLSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033797851 780793392 /nfs/dbraw/zinc/79/33/92/780793392.db2.gz HQXOQHYMOMUNIT-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033841697 780803041 /nfs/dbraw/zinc/80/30/41/780803041.db2.gz BXRQUDQPLROMBH-KRWDZBQOSA-N 0 3 286.419 2.784 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033872630 780813743 /nfs/dbraw/zinc/81/37/43/780813743.db2.gz NGZODCFWTOAJGA-STQMWFEESA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033878002 780813893 /nfs/dbraw/zinc/81/38/93/780813893.db2.gz HGQNTDXUNXYVLN-HNNXBMFYSA-N 0 3 289.423 2.744 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033874515 780815685 /nfs/dbraw/zinc/81/56/85/780815685.db2.gz ZXEYZCCHSBQHQL-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN Cc1ccc(CNCc2cccnc2C)cc1C#N ZINC000701840041 780843994 /nfs/dbraw/zinc/84/39/94/780843994.db2.gz BVEXSNZRAWDJBA-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN COc1cc(C#N)ccc1-c1cccc(CN(C)C)n1 ZINC001241396851 780850065 /nfs/dbraw/zinc/85/00/65/780850065.db2.gz LRUVCZKAPVSNOV-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccnc(C)c2)C1 ZINC001033993399 780850882 /nfs/dbraw/zinc/85/08/82/780850882.db2.gz WFRIVSRPKPXADV-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CC[C@@H]1SC ZINC000701945064 780853442 /nfs/dbraw/zinc/85/34/42/780853442.db2.gz OLGLQUFFGGPUSV-ZFWWWQNUSA-N 0 3 261.390 2.682 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034194518 780921611 /nfs/dbraw/zinc/92/16/11/780921611.db2.gz LIAUMYLVOBEIRD-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034238496 780931248 /nfs/dbraw/zinc/93/12/48/780931248.db2.gz IYXZDXUKFCSPQV-CQSZACIVSA-N 0 3 287.407 2.662 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034265371 780935331 /nfs/dbraw/zinc/93/53/31/780935331.db2.gz KHSSBVWYZVDCSN-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1ccc(C2=CCN(Cc3ccccc3)CC2)nn1 ZINC001241499625 780944474 /nfs/dbraw/zinc/94/44/74/780944474.db2.gz CUIOEZLNBPCGBD-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353120 780948266 /nfs/dbraw/zinc/94/82/66/780948266.db2.gz VFQLAPCDPJHCPC-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034358579 780952103 /nfs/dbraw/zinc/95/21/03/780952103.db2.gz MAVIGSWBOAMPDE-FXUDXRNXSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001034361413 780958395 /nfs/dbraw/zinc/95/83/95/780958395.db2.gz ZTWRCSQCRNHVJC-AWEZNQCLSA-N 0 3 289.423 2.738 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001034387936 780962410 /nfs/dbraw/zinc/96/24/10/780962410.db2.gz YFDDLAMQBJYWRV-LBPRGKRZSA-N 0 3 294.782 2.541 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001034408101 780965299 /nfs/dbraw/zinc/96/52/99/780965299.db2.gz HSHPNLDVWZGUGY-HNNXBMFYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001034429383 780969820 /nfs/dbraw/zinc/96/98/20/780969820.db2.gz VZBHBCKFRRIMEU-KSZLIROESA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034465166 780977233 /nfs/dbraw/zinc/97/72/33/780977233.db2.gz LZXZPODACQBJDY-CQSZACIVSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001034452205 780977674 /nfs/dbraw/zinc/97/76/74/780977674.db2.gz BDENKOHXRFYGEH-MRXNPFEDSA-N 0 3 287.407 2.550 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001034513061 780989592 /nfs/dbraw/zinc/98/95/92/780989592.db2.gz ULJJXWLHAXBMNY-INIZCTEOSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001034523454 780990995 /nfs/dbraw/zinc/99/09/95/780990995.db2.gz LCYAHVHUBZZWJA-HNNXBMFYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001034539197 780995219 /nfs/dbraw/zinc/99/52/19/780995219.db2.gz WYYLDURSAXJHFH-CQSZACIVSA-N 0 3 292.448 2.756 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc(CCC)c(C)s1 ZINC000704319975 781095090 /nfs/dbraw/zinc/09/50/90/781095090.db2.gz YMKZDCITZDBWQB-UHFFFAOYSA-N 0 3 292.448 2.694 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccncc1C)CC2 ZINC001035703890 781160267 /nfs/dbraw/zinc/16/02/67/781160267.db2.gz UGBGUOOAZBHPEI-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC1(F)F)CC2 ZINC001035729704 781161540 /nfs/dbraw/zinc/16/15/40/781161540.db2.gz RSNCLOMLPYEJLB-ZDUSSCGKSA-N 0 3 298.377 2.532 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C)C1)CC2 ZINC001035811972 781174326 /nfs/dbraw/zinc/17/43/26/781174326.db2.gz LGDFWWBBWMFQOF-JKSUJKDBSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(C)C)CC2 ZINC001035827373 781175857 /nfs/dbraw/zinc/17/58/57/781175857.db2.gz NIYAELXTMRETIX-CVEARBPZSA-N 0 3 290.451 2.779 20 30 CFEDHN CCCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001035879431 781179090 /nfs/dbraw/zinc/17/90/90/781179090.db2.gz HLRUPEOXAHYVFL-PBHICJAKSA-N 0 3 299.418 2.685 20 30 CFEDHN C#Cc1cccc(-c2ccc3c(c2)COC32CNC2)c1 ZINC001241919439 781181714 /nfs/dbraw/zinc/18/17/14/781181714.db2.gz HNSQNKBCWARAMI-UHFFFAOYSA-N 0 3 261.324 2.664 20 30 CFEDHN CC1(C)CC(=O)C=C(c2cnccc2N2CCOCC2)C1 ZINC001242316598 781394607 /nfs/dbraw/zinc/39/46/07/781394607.db2.gz NPIAFEWWSGDXLC-UHFFFAOYSA-N 0 3 286.375 2.691 20 30 CFEDHN CC1(C)C[C@H](CN2CCC[C@@H](C#N)C2)C(C)(C)O1 ZINC000711262134 781403905 /nfs/dbraw/zinc/40/39/05/781403905.db2.gz NMUINNSERCMDMU-QWHCGFSZSA-N 0 3 250.386 2.816 20 30 CFEDHN CC1(C)CC[C@H](CNCc2ccc(C#N)cc2F)OC1 ZINC000711330180 781412560 /nfs/dbraw/zinc/41/25/60/781412560.db2.gz DZIRWCNNIIWWDR-CQSZACIVSA-N 0 3 276.355 2.992 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@H](CF)C1 ZINC000711422875 781431682 /nfs/dbraw/zinc/43/16/82/781431682.db2.gz TZGXVGJOXDSORO-CYBMUJFWSA-N 0 3 262.328 2.619 20 30 CFEDHN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccnc(C)c1 ZINC001273192402 781514038 /nfs/dbraw/zinc/51/40/38/781514038.db2.gz DJYOBFFTMIQBFV-IAGOWNOFSA-N 0 3 299.418 2.531 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC001079533931 781602811 /nfs/dbraw/zinc/60/28/11/781602811.db2.gz CRNRUZUGFPXNGZ-BXUZGUMPSA-N 0 3 278.421 2.683 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001079686195 781613891 /nfs/dbraw/zinc/61/38/91/781613891.db2.gz UEPPNFOAVUXLLZ-QLFBSQMISA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001079967764 781631403 /nfs/dbraw/zinc/63/14/03/781631403.db2.gz XFXKQJFYHMTUML-HCEZTOJASA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001080335498 781650404 /nfs/dbraw/zinc/65/04/04/781650404.db2.gz MTJOKCWFIFMFBE-CZUORRHYSA-N 0 3 290.451 2.825 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001080595548 781670044 /nfs/dbraw/zinc/67/00/44/781670044.db2.gz BNFRYQRJVBXGRI-BZZMCLGOSA-N 0 3 298.430 2.721 20 30 CFEDHN Cc1ccc(CO)cc1-c1nccc2[nH]cc(C#N)c21 ZINC001242666049 781683207 /nfs/dbraw/zinc/68/32/07/781683207.db2.gz IACPAJFFPANUGM-UHFFFAOYSA-N 0 3 263.300 2.902 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001080984439 781689660 /nfs/dbraw/zinc/68/96/60/781689660.db2.gz SSBGBCSBWMGBAI-JFIYKMOQSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081020056 781695614 /nfs/dbraw/zinc/69/56/14/781695614.db2.gz POJOWGCLGPHFNG-GARNVTTQSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CC(C)(C)CCCNCc1cn(C)nc1C(=O)OCC ZINC001119248915 781752707 /nfs/dbraw/zinc/75/27/07/781752707.db2.gz UNBWMVPZHFFORC-UHFFFAOYSA-N 0 3 293.411 2.679 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001084161356 781775532 /nfs/dbraw/zinc/77/55/32/781775532.db2.gz VILCKYNUAYZPKM-CZUORRHYSA-N 0 3 288.366 2.548 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001084257959 781784628 /nfs/dbraw/zinc/78/46/28/781784628.db2.gz XAMAZZPXKWKKIY-ZIAGYGMSSA-N 0 3 290.451 2.777 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)[C@@H]2C1 ZINC001084578765 781802376 /nfs/dbraw/zinc/80/23/76/781802376.db2.gz UZJJCSDYMPIYCM-HUUCEWRRSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3(C)CCCCC3)[C@@H]2C1 ZINC001084630001 781811493 /nfs/dbraw/zinc/81/14/93/781811493.db2.gz RVYDNQKBTKJBKP-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C3CC3)C3CC3)[C@@H]2C1 ZINC001084765409 781832496 /nfs/dbraw/zinc/83/24/96/781832496.db2.gz YEQBUGDGFNDZCZ-HZPDHXFCSA-N 0 3 288.435 2.531 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)SC ZINC001098923118 781847198 /nfs/dbraw/zinc/84/71/98/781847198.db2.gz YTNDVIFXKICYHJ-KBPBESRZSA-N 0 3 298.496 2.921 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C3CCCC3)C[C@@H]21 ZINC001085072147 781898455 /nfs/dbraw/zinc/89/84/55/781898455.db2.gz KBYHYNXVDJTEBA-OIISXLGYSA-N 0 3 290.451 2.922 20 30 CFEDHN CS[C@@H](CO)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594514051 349437190 /nfs/dbraw/zinc/43/71/90/349437190.db2.gz OSTKLWHZVPLGNX-WFASDCNBSA-N 0 3 292.448 2.690 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594519831 349439948 /nfs/dbraw/zinc/43/99/48/349439948.db2.gz LRSMRIFTOXDEID-IRXDYDNUSA-N 0 3 287.382 2.804 20 30 CFEDHN CC[C@@H](Cn1cncn1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594518864 349440099 /nfs/dbraw/zinc/44/00/99/349440099.db2.gz PWPADBQVDBRQRE-INIZCTEOSA-N 0 3 295.390 2.597 20 30 CFEDHN COCC[C@@H](COC)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521470 349441005 /nfs/dbraw/zinc/44/10/05/349441005.db2.gz RTIMSPSBOXSOEX-INIZCTEOSA-N 0 3 290.407 2.629 20 30 CFEDHN Cc1cc(C#N)cc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000594605604 349459761 /nfs/dbraw/zinc/45/97/61/349459761.db2.gz CBDYOEOKBZXKQK-KRWDZBQOSA-N 0 3 285.391 2.532 20 30 CFEDHN C=CC(C)(C)CNCc1cc(C(=O)OC)oc1C ZINC000594609065 349461500 /nfs/dbraw/zinc/46/15/00/349461500.db2.gz FHSGRKLDEDZUFG-UHFFFAOYSA-N 0 3 251.326 2.676 20 30 CFEDHN C[C@H]1CC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)C1 ZINC000594708614 349477772 /nfs/dbraw/zinc/47/77/72/349477772.db2.gz ACUYWASBGLQGKV-PBFPGSCMSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1cccc(C#N)c1 ZINC000594723443 349479900 /nfs/dbraw/zinc/47/99/00/349479900.db2.gz AZSDZZOPFIBHFH-DOMZBBRYSA-N 0 3 256.349 2.920 20 30 CFEDHN C[C@@H](N[C@H]1COC2(CCC2)C1)c1cccc(C#N)c1 ZINC000594723444 349479933 /nfs/dbraw/zinc/47/99/33/349479933.db2.gz AZSDZZOPFIBHFH-IUODEOHRSA-N 0 3 256.349 2.920 20 30 CFEDHN C[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cnn(C)c1 ZINC000594924267 349510692 /nfs/dbraw/zinc/51/06/92/349510692.db2.gz XXLDPPHLLVWNCB-ZDUSSCGKSA-N 0 3 280.375 2.826 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594927098 349512480 /nfs/dbraw/zinc/51/24/80/349512480.db2.gz UQPPXVFNFJWFFF-SNPRPXQTSA-N 0 3 289.375 2.539 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCC[C@H](SC)C2)nn1 ZINC000594928102 349513318 /nfs/dbraw/zinc/51/33/18/349513318.db2.gz ZMPLKLKXPMAUAX-JSGCOSHPSA-N 0 3 280.441 2.618 20 30 CFEDHN C[C@H]1CC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)O1 ZINC000594943333 349521865 /nfs/dbraw/zinc/52/18/65/349521865.db2.gz CBIHSYFCKBAKBW-BBRMVZONSA-N 0 3 270.376 2.899 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)CO1 ZINC000594947497 349524300 /nfs/dbraw/zinc/52/43/00/349524300.db2.gz FJUQRYGWJLQYSO-IUODEOHRSA-N 0 3 256.349 2.509 20 30 CFEDHN Cc1cnc(CNCCc2ccc(C#N)cc2)s1 ZINC000594955470 349527193 /nfs/dbraw/zinc/52/71/93/349527193.db2.gz PCCKJGOOWGVXGV-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=CCCSCCNCc1c(C)nc2sc(C)nn12 ZINC000594960854 349530370 /nfs/dbraw/zinc/53/03/70/349530370.db2.gz XTWOJUPOSUZEGG-UHFFFAOYSA-N 0 3 296.465 2.807 20 30 CFEDHN CCC(O)(CC)C(C)(C)CNCc1ccc(C#N)o1 ZINC000594966473 349533323 /nfs/dbraw/zinc/53/33/23/349533323.db2.gz SEJJMYSJUUFCGA-UHFFFAOYSA-N 0 3 264.369 2.818 20 30 CFEDHN C=CCC1(NCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000594976800 349537188 /nfs/dbraw/zinc/53/71/88/349537188.db2.gz QKRIWILURCWLHN-UHFFFAOYSA-N 0 3 282.365 2.871 20 30 CFEDHN C[C@H](CSCCF)NCc1cccc(C#N)c1 ZINC000595007396 349546514 /nfs/dbraw/zinc/54/65/14/349546514.db2.gz MOJUYXJBQJUCBF-LLVKDONJSA-N 0 3 252.358 2.739 20 30 CFEDHN Cc1nccnc1[C@H](C)NCCc1ccc(C#N)cc1 ZINC000595055394 349567389 /nfs/dbraw/zinc/56/73/89/349567389.db2.gz CFVLDGYAHZIETM-LBPRGKRZSA-N 0 3 266.348 2.550 20 30 CFEDHN C=CCCSCCN[C@@H](CC)c1ccn(C)n1 ZINC000595059817 349570374 /nfs/dbraw/zinc/57/03/74/349570374.db2.gz PFWJGKGNPBPDSR-LBPRGKRZSA-N 0 3 253.415 2.770 20 30 CFEDHN C[C@@H](NC[C@@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000595088108 349577112 /nfs/dbraw/zinc/57/71/12/349577112.db2.gz GKBATDWLBYMYDO-YPMHNXCESA-N 0 3 276.355 2.757 20 30 CFEDHN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000595251436 349587297 /nfs/dbraw/zinc/58/72/97/349587297.db2.gz VTFKAVOULHUWDI-CVEARBPZSA-N 0 3 299.418 2.988 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CC[C@H](N2CCCCC2)C1 ZINC000595310513 349599177 /nfs/dbraw/zinc/59/91/77/349599177.db2.gz DEUNBFCULRVSEG-IRXDYDNUSA-N 0 3 269.392 2.811 20 30 CFEDHN C[C@@H]1SCCN(CCc2ccc(C#N)cc2)[C@H]1C ZINC000595323490 349602657 /nfs/dbraw/zinc/60/26/57/349602657.db2.gz YWRBDYOEWCNECV-STQMWFEESA-N 0 3 260.406 2.927 20 30 CFEDHN N#Cc1ccnc(N2CCN(CCCC3CCC3)CC2)c1 ZINC000595291869 349591765 /nfs/dbraw/zinc/59/17/65/349591765.db2.gz VYTQWSBWDPNHAG-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CC[C@@H]1CO[C@H](C)CN1CCc1ccc(C#N)cc1 ZINC000595290566 349592754 /nfs/dbraw/zinc/59/27/54/349592754.db2.gz MBARTEVZHFMQDK-CZUORRHYSA-N 0 3 258.365 2.600 20 30 CFEDHN CCN(C[C@H](COC)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000595296285 349595030 /nfs/dbraw/zinc/59/50/30/349595030.db2.gz ZHJWBFRBWMZCEP-CZUORRHYSA-N 0 3 276.380 2.603 20 30 CFEDHN N#Cc1ccc(CCN2CCOCC3(CCCC3)C2)cc1 ZINC000595443136 349627392 /nfs/dbraw/zinc/62/73/92/349627392.db2.gz YVSWRGDMWUDTMA-UHFFFAOYSA-N 0 3 284.403 2.993 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@H](OCC3CC3)C2)cc1 ZINC000595444732 349628586 /nfs/dbraw/zinc/62/85/86/349628586.db2.gz CUNKNWNACHQMDM-SFHVURJKSA-N 0 3 284.403 2.992 20 30 CFEDHN CC(C)N1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000068781506 346869386 /nfs/dbraw/zinc/86/93/86/346869386.db2.gz RMLIEBJSVUPXPI-CMDGGOBGSA-N 0 3 297.402 2.514 20 30 CFEDHN Cn1nccc1C1=CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595484777 349640251 /nfs/dbraw/zinc/64/02/51/349640251.db2.gz NWDDFOUCAPGEJW-UHFFFAOYSA-N 0 3 292.386 2.624 20 30 CFEDHN CC[C@H]1CN(CCc2ccc(C#N)cc2)C[C@H](CC)O1 ZINC000595548937 349657151 /nfs/dbraw/zinc/65/71/51/349657151.db2.gz BGWQLZQHQZORDW-IRXDYDNUSA-N 0 3 272.392 2.990 20 30 CFEDHN C[C@H]1CN(CCc2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000595566026 349662416 /nfs/dbraw/zinc/66/24/16/349662416.db2.gz FUCOEQYOOULSKP-AWEZNQCLSA-N 0 3 270.376 2.744 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)C2CCC2)c(C(F)(F)F)c1 ZINC000595618360 349678808 /nfs/dbraw/zinc/67/88/08/349678808.db2.gz XNALYHXOQCLGNU-CQSZACIVSA-N 0 3 298.308 2.828 20 30 CFEDHN CN(C)c1ccccc1CN1CCC[C@@H](CC#N)C1 ZINC000595617396 349678909 /nfs/dbraw/zinc/67/89/09/349678909.db2.gz ZNLXKOYDFUCURA-AWEZNQCLSA-N 0 3 257.381 2.878 20 30 CFEDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000414199923 529473055 /nfs/dbraw/zinc/47/30/55/529473055.db2.gz DEACEFQZTHPMID-VQISRLSMSA-N 0 3 262.328 2.915 20 30 CFEDHN CC(C)N1CCC[C@@H](NC(C)(C)c2cccc(C#N)c2)C1=O ZINC000595634923 349684533 /nfs/dbraw/zinc/68/45/33/349684533.db2.gz ILCFBTJNDWOEMA-MRXNPFEDSA-N 0 3 299.418 2.782 20 30 CFEDHN CC(C)(NC[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000595637306 349684657 /nfs/dbraw/zinc/68/46/57/349684657.db2.gz WSOMTBBJINSAKU-OAHLLOKOSA-N 0 3 258.365 2.952 20 30 CFEDHN CN(CCN1CCC[C@H](CC#N)C1)Cc1ccccc1 ZINC000595623891 349680979 /nfs/dbraw/zinc/68/09/79/349680979.db2.gz XVLVTODBIUMROI-QGZVFWFLSA-N 0 3 271.408 2.744 20 30 CFEDHN CO[C@@H](Cc1ccccc1)CN1CCC[C@H](CC#N)C1 ZINC000595623468 349681008 /nfs/dbraw/zinc/68/10/08/349681008.db2.gz QKUQYRBFDFYYGP-SJORKVTESA-N 0 3 272.392 2.870 20 30 CFEDHN COc1ccc(CN2CCCC[C@@H]2[C@H](C)CO)cc1C#N ZINC000595676761 349697296 /nfs/dbraw/zinc/69/72/96/349697296.db2.gz NZTVGPPEXXEPJX-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595743365 349721433 /nfs/dbraw/zinc/72/14/33/349721433.db2.gz MXTILLWWCZKNJF-RSUWNVLCSA-N 0 3 258.365 2.568 20 30 CFEDHN CCC1(CC)CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000595753779 349723590 /nfs/dbraw/zinc/72/35/90/349723590.db2.gz YKEHXWSYMXQKOD-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2F)[C@@H]1CCO ZINC000595706062 349711134 /nfs/dbraw/zinc/71/11/34/349711134.db2.gz XDVLREQDBYZXKI-IUODEOHRSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000595829102 349744600 /nfs/dbraw/zinc/74/46/00/349744600.db2.gz WEKOZBIBKNQOPR-ZBFHGGJFSA-N 0 3 257.381 2.889 20 30 CFEDHN COc1cccc([C@@]2(C)CCN(CCCC#N)C2)c1 ZINC000595765430 349727448 /nfs/dbraw/zinc/72/74/48/349727448.db2.gz KYPFUIKKJVOYFX-INIZCTEOSA-N 0 3 258.365 2.962 20 30 CFEDHN C=CCN(Cc1cccc(C(=O)OC)n1)C(C)(C)C ZINC000595765639 349727639 /nfs/dbraw/zinc/72/76/39/349727639.db2.gz NEAZGPKIAKBELW-UHFFFAOYSA-N 0 3 262.353 2.655 20 30 CFEDHN CC(C)CC1(NCC(=O)Nc2sccc2C#N)CC1 ZINC000595833070 349746564 /nfs/dbraw/zinc/74/65/64/349746564.db2.gz ZZJIMLKCUPECBL-UHFFFAOYSA-N 0 3 277.393 2.727 20 30 CFEDHN C=CCC1(NCc2[nH]nc(C)c2C(=O)OCC)CCCC1 ZINC000595780413 349731717 /nfs/dbraw/zinc/73/17/17/349731717.db2.gz RDXMIKZIHXDEJX-UHFFFAOYSA-N 0 3 291.395 2.873 20 30 CFEDHN CCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354469472 529611855 /nfs/dbraw/zinc/61/18/55/529611855.db2.gz PRCPAFMQKNWYFU-CYBMUJFWSA-N 0 3 251.289 2.529 20 30 CFEDHN C[C@@H]1[C@@H](C)N(CCCCC#N)CCN1CCCCC#N ZINC000595886995 349761978 /nfs/dbraw/zinc/76/19/78/349761978.db2.gz QPZPAIDTAQVAKU-HZPDHXFCSA-N 0 3 276.428 2.769 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H](C3CCC3)C2)ccn1 ZINC000595838288 349749490 /nfs/dbraw/zinc/74/94/90/349749490.db2.gz UTMFOYFVRILELU-HNNXBMFYSA-N 0 3 255.365 2.965 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)OC)o1 ZINC000595840391 349751962 /nfs/dbraw/zinc/75/19/62/349751962.db2.gz ASPXXEXUSJDIFF-TXEJJXNPSA-N 0 3 261.321 2.749 20 30 CFEDHN C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000595958818 349772242 /nfs/dbraw/zinc/77/22/42/349772242.db2.gz JDLBRIXFVUPZJS-WMZOPIPTSA-N 0 3 299.418 2.631 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2c(C#N)cnn2C)C1 ZINC000596087462 349791354 /nfs/dbraw/zinc/79/13/54/349791354.db2.gz FSWUYQCZPQGLJX-CZUORRHYSA-N 0 3 295.390 2.539 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596118392 349798950 /nfs/dbraw/zinc/79/89/50/349798950.db2.gz YAXDDQPLDHRMMZ-MWLCHTKSSA-N 0 3 269.270 2.882 20 30 CFEDHN Cc1ccc(C#N)nc1N1CCN(C2CCC(C)CC2)CC1 ZINC000596127973 349801137 /nfs/dbraw/zinc/80/11/37/349801137.db2.gz DWGVHNQALQYFSJ-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN Cc1ccc(NC(=O)c2ccc(C#N)cn2)c(CN(C)C)c1 ZINC000072839904 346943851 /nfs/dbraw/zinc/94/38/51/346943851.db2.gz FUWVXJHWPYAEND-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C=CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000078887395 539337080 /nfs/dbraw/zinc/33/70/80/539337080.db2.gz QTPCOGQDNNZHQU-UHFFFAOYSA-N 0 3 270.376 2.729 20 30 CFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1nc(C#N)c(Cl)s1 ZINC000596231044 349834623 /nfs/dbraw/zinc/83/46/23/349834623.db2.gz GFRIYTWZNKQLFZ-MWLCHTKSSA-N 0 3 296.827 2.731 20 30 CFEDHN CC(C)N1CCCC[C@@H]1COc1cccnc1C#N ZINC000596280388 349851599 /nfs/dbraw/zinc/85/15/99/349851599.db2.gz ZXTRPDYXFBJMBM-CYBMUJFWSA-N 0 3 259.353 2.595 20 30 CFEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000007786554 529838256 /nfs/dbraw/zinc/83/82/56/529838256.db2.gz JPMXBTAJFIIBTI-UHFFFAOYSA-N 0 3 271.364 2.761 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000596309202 349859370 /nfs/dbraw/zinc/85/93/70/349859370.db2.gz PRSZQCVYZKQHKQ-GFCCVEGCSA-N 0 3 288.351 2.751 20 30 CFEDHN N#Cc1ccc(CN2CCN(C3CCCC3)CC2)s1 ZINC000126978147 187273893 /nfs/dbraw/zinc/27/38/93/187273893.db2.gz NXUBSXSMJAGZHP-UHFFFAOYSA-N 0 3 275.421 2.680 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H](C)CN2CCC(C)CC2)n1 ZINC000596486930 349917047 /nfs/dbraw/zinc/91/70/47/349917047.db2.gz BXHHJNNUQXWDNT-AWEZNQCLSA-N 0 3 272.396 2.794 20 30 CFEDHN C=CCOc1cccc(CN[C@H](CC)[C@H](O)C(F)F)c1 ZINC000295114585 199352204 /nfs/dbraw/zinc/35/22/04/199352204.db2.gz VPSFIGYYCRYPFE-KGLIPLIRSA-N 0 3 285.334 2.746 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](CC)[C@H](O)C(F)F)c1 ZINC000295114584 199352273 /nfs/dbraw/zinc/35/22/73/199352273.db2.gz VPSFIGYYCRYPFE-KBPBESRZSA-N 0 3 285.334 2.746 20 30 CFEDHN N#Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000154855479 232228793 /nfs/dbraw/zinc/22/87/93/232228793.db2.gz ZGMQXXMRCRHEIK-UHFFFAOYSA-N 0 3 297.402 2.649 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN2CCCC[C@@H]2C1 ZINC000232531247 260266532 /nfs/dbraw/zinc/26/65/32/260266532.db2.gz XWCKSLJSZOMJTF-OAHLLOKOSA-N 0 3 263.429 2.877 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000128347952 187365361 /nfs/dbraw/zinc/36/53/61/187365361.db2.gz VEGBXDUKJDJIIO-HUUCEWRRSA-N 0 3 286.419 2.945 20 30 CFEDHN CN(C)Cc1ccc(CNC(=O)c2ccc(C#N)cc2)cc1 ZINC000008430879 346224256 /nfs/dbraw/zinc/22/42/56/346224256.db2.gz WRFSLQVZUXWZKD-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN C=CCNC(=O)CNc1ccnc2ccc(CC)cc21 ZINC000295131710 199362164 /nfs/dbraw/zinc/36/21/64/199362164.db2.gz YFYKXBPCQKNECD-UHFFFAOYSA-N 0 3 269.348 2.511 20 30 CFEDHN N#CCCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000042307262 346363341 /nfs/dbraw/zinc/36/33/41/346363341.db2.gz WTJYDAOCKPASRO-UHFFFAOYSA-N 0 3 261.344 2.642 20 30 CFEDHN N#CCCCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000042634939 346369045 /nfs/dbraw/zinc/36/90/45/346369045.db2.gz ZVEUAEZXSJOQGS-MRXNPFEDSA-N 0 3 258.365 2.736 20 30 CFEDHN N#CCCCNCc1ccc2c(c1)OCCCCO2 ZINC000449231664 260300835 /nfs/dbraw/zinc/30/08/35/260300835.db2.gz FHSTZUOPHDURJK-UHFFFAOYSA-N 0 3 260.337 2.631 20 30 CFEDHN CN1CCN(Cc2ccccc2-c2cccc(C#N)c2)CC1 ZINC000596638700 349964265 /nfs/dbraw/zinc/96/42/65/349964265.db2.gz ATIGSFCMWUNKRX-UHFFFAOYSA-N 0 3 291.398 2.973 20 30 CFEDHN Cc1nnc(NC[C@@H](C)N2CCCC[C@@H]2C)c(C#N)c1C ZINC000052101753 346514079 /nfs/dbraw/zinc/51/40/79/346514079.db2.gz CUMDOWDFMVEGCH-NWDGAFQWSA-N 0 3 287.411 2.640 20 30 CFEDHN CN(C)[C@H](CNc1ncccc1C#N)c1ccc(F)cc1 ZINC000059394235 346656750 /nfs/dbraw/zinc/65/67/50/346656750.db2.gz MDTJZBJJRCBAJR-OAHLLOKOSA-N 0 3 284.338 2.807 20 30 CFEDHN CC(C)(CNC(=O)C1(C#N)CCCCC1)N1CCCCC1 ZINC000057419416 346628181 /nfs/dbraw/zinc/62/81/81/346628181.db2.gz QYLIYHUSJNJVIS-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN C#CCN1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000066436697 346761023 /nfs/dbraw/zinc/76/10/23/346761023.db2.gz MPHLGOGGSFTRFB-UHFFFAOYSA-N 0 3 268.360 2.989 20 30 CFEDHN CC(C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000065961754 346744814 /nfs/dbraw/zinc/74/48/14/346744814.db2.gz MTGDIFDCONWJJU-OAHLLOKOSA-N 0 3 287.407 2.910 20 30 CFEDHN N#Cc1nc(NCCN2CCCCC2)ccc1Cl ZINC000067367903 346799651 /nfs/dbraw/zinc/79/96/51/346799651.db2.gz XNEGOPSBVOORBD-UHFFFAOYSA-N 0 3 264.760 2.504 20 30 CFEDHN N#Cc1cccc(CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000077506267 347196736 /nfs/dbraw/zinc/19/67/36/347196736.db2.gz KRSBJMOQIZTIDC-UHFFFAOYSA-N 0 3 297.314 2.635 20 30 CFEDHN CN(CC[C@H]1CCCCN1C)c1snc(Cl)c1C#N ZINC000078455153 347253517 /nfs/dbraw/zinc/25/35/17/347253517.db2.gz REQQMKARRHROSM-SNVBAGLBSA-N 0 3 298.843 2.979 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000079004358 347284559 /nfs/dbraw/zinc/28/45/59/347284559.db2.gz ICNFEHWMLLSYRN-LLVKDONJSA-N 0 3 292.342 2.579 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(c2nnc[nH]2)CC1 ZINC000083424626 347451062 /nfs/dbraw/zinc/45/10/62/347451062.db2.gz PVDDUFPLLCDEEK-GFCCVEGCSA-N 0 3 281.363 2.617 20 30 CFEDHN C=CCN1CCC(Nc2cncc(OCC(C)C)n2)CC1 ZINC000086182803 347483965 /nfs/dbraw/zinc/48/39/65/347483965.db2.gz NZPRILUDYIUQJH-UHFFFAOYSA-N 0 3 290.411 2.574 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cncc3ccccc32)CC1 ZINC000089764926 347528472 /nfs/dbraw/zinc/52/84/72/347528472.db2.gz LHMCLWMXLYHTMP-UHFFFAOYSA-N 0 3 293.370 2.519 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000092767485 347646752 /nfs/dbraw/zinc/64/67/52/347646752.db2.gz QYILKISLVSIEKQ-OLZOCXBDSA-N 0 3 260.381 2.590 20 30 CFEDHN C[C@H](CNc1cnccc1C#N)N1CCc2ccccc2C1 ZINC000094134569 347692251 /nfs/dbraw/zinc/69/22/51/347692251.db2.gz FFPAUYQZYNCWDN-CQSZACIVSA-N 0 3 292.386 2.812 20 30 CFEDHN C=CCN1CCC(Nc2ncc(Cl)c(C)c2C#N)CC1 ZINC000273308614 192107808 /nfs/dbraw/zinc/10/78/08/192107808.db2.gz IFWVXCFGIVIQLP-UHFFFAOYSA-N 0 3 290.798 2.977 20 30 CFEDHN C=CCc1cc(CN[C@H](CO)CC(C)C)cc(OC)c1O ZINC000113326906 347767092 /nfs/dbraw/zinc/76/70/92/347767092.db2.gz GPTAKVFKGPEPHR-HNNXBMFYSA-N 0 3 293.407 2.626 20 30 CFEDHN N#Cc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000111249653 347752248 /nfs/dbraw/zinc/75/22/48/347752248.db2.gz UFOSCPLJBBTUMX-HOCLYGCPSA-N 0 3 283.375 2.761 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000120174580 347805969 /nfs/dbraw/zinc/80/59/69/347805969.db2.gz ABIRKABOORVMPQ-KRWDZBQOSA-N 0 3 286.419 2.901 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCC(C)C ZINC000126683699 347836403 /nfs/dbraw/zinc/83/64/03/347836403.db2.gz MIXPDEOUFGBLKH-AWEZNQCLSA-N 0 3 252.402 2.553 20 30 CFEDHN N#CCCCN1CCC[C@H]1CN1CCc2ccccc21 ZINC000144239597 347939670 /nfs/dbraw/zinc/93/96/70/347939670.db2.gz RACPSZZCZUGUJM-INIZCTEOSA-N 0 3 269.392 2.817 20 30 CFEDHN C[C@@H](N[C@H](C)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000157592832 348001850 /nfs/dbraw/zinc/00/18/50/348001850.db2.gz KCPRXBSEMUPZDK-VXGBXAGGSA-N 0 3 271.364 2.663 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC(C)C)C(C)C)CC1 ZINC000172372863 348091784 /nfs/dbraw/zinc/09/17/84/348091784.db2.gz IUXIJANLYQHHKA-UHFFFAOYSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(C)CCCOC2)cc1 ZINC000221341686 348171025 /nfs/dbraw/zinc/17/10/25/348171025.db2.gz MEBAEXQIANHNHP-MRXNPFEDSA-N 0 3 261.365 2.910 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)[C@@H]2CC)CC1 ZINC000187837615 348131623 /nfs/dbraw/zinc/13/16/23/348131623.db2.gz MAKQJXXUKSHFEK-ZBFHGGJFSA-N 0 3 293.455 2.857 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248749662 348277017 /nfs/dbraw/zinc/27/70/17/348277017.db2.gz OEZBTUSYYBAWDK-CPUCHLNUSA-N 0 3 297.402 2.926 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CN(C3CC3)C[C@H]2C)c1C#N ZINC000273343971 192120567 /nfs/dbraw/zinc/12/05/67/192120567.db2.gz OGJUCGCQIXQJEG-OTYXRUKQSA-N 0 3 290.798 2.810 20 30 CFEDHN CCC(CC)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279384333 348340057 /nfs/dbraw/zinc/34/00/57/348340057.db2.gz SZRDAHKFVYMQBQ-MRXNPFEDSA-N 0 3 283.375 2.793 20 30 CFEDHN COC[C@H](NCCOCCC#N)c1cccc(Cl)c1 ZINC000293567615 348362875 /nfs/dbraw/zinc/36/28/75/348362875.db2.gz MSWGUBSAXMADGM-AWEZNQCLSA-N 0 3 282.771 2.547 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@@H]2CCN(C)C[C@H]2C)c1C#N ZINC000273353966 192123365 /nfs/dbraw/zinc/12/33/65/192123365.db2.gz PODOQSBFWVDAAR-QMTHXVAHSA-N 0 3 292.814 2.692 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(C)cc1OC ZINC000320449957 348436756 /nfs/dbraw/zinc/43/67/56/348436756.db2.gz XRJBTYRRAUTKBR-UONOGXRCSA-N 0 3 263.381 2.981 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000323548887 348438229 /nfs/dbraw/zinc/43/82/29/348438229.db2.gz AGXJILHTXMITIZ-NVXWUHKLSA-N 0 3 299.418 2.517 20 30 CFEDHN N#Cc1ccccc1CN1CCNC[C@@H]1c1ccccc1 ZINC000313325254 348422795 /nfs/dbraw/zinc/42/27/95/348422795.db2.gz NUCQFCRKHMQPEY-GOSISDBHSA-N 0 3 277.371 2.705 20 30 CFEDHN C=C(C)CN1CCC(Nc2nccc(C)c2C#N)CC1 ZINC000273385311 192133680 /nfs/dbraw/zinc/13/36/80/192133680.db2.gz UEZMVRGBYAKGBL-UHFFFAOYSA-N 0 3 270.380 2.714 20 30 CFEDHN C=CCC1(NCc2cc(COC)on2)CCCC1 ZINC000668625692 539634685 /nfs/dbraw/zinc/63/46/85/539634685.db2.gz YGJXOFWRURFNEK-UHFFFAOYSA-N 0 3 250.342 2.800 20 30 CFEDHN Cc1ccccc1CN1CCCN(C(=O)[C@H](C)CC#N)CC1 ZINC000596788072 349990227 /nfs/dbraw/zinc/99/02/27/349990227.db2.gz NZHYXGIKAVIXAP-MRXNPFEDSA-N 0 3 299.418 2.579 20 30 CFEDHN CCc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354479093 348501220 /nfs/dbraw/zinc/50/12/20/348501220.db2.gz VUZKMBNXWVGLSW-ZDUSSCGKSA-N 0 3 251.289 2.529 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000365001534 348510971 /nfs/dbraw/zinc/51/09/71/348510971.db2.gz MWSAIUKSCIWGPW-MRXNPFEDSA-N 0 3 288.435 2.657 20 30 CFEDHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366482541 348512694 /nfs/dbraw/zinc/51/26/94/348512694.db2.gz HOYWAVYMZRWWPZ-GOEBONIOSA-N 0 3 280.412 2.586 20 30 CFEDHN CCN(Cc1ccc(CC#N)cc1)[C@H]1CCCOC1 ZINC000402715583 348582576 /nfs/dbraw/zinc/58/25/76/348582576.db2.gz UAVCDZYMMGHKPH-INIZCTEOSA-N 0 3 258.365 2.754 20 30 CFEDHN CCN(Cc1ccc(CC#N)cc1)[C@@H]1CCCOC1 ZINC000402715586 348582843 /nfs/dbraw/zinc/58/28/43/348582843.db2.gz UAVCDZYMMGHKPH-MRXNPFEDSA-N 0 3 258.365 2.754 20 30 CFEDHN CCN(Cc1ccc(OC)c(C#N)c1)[C@H]1CCCOC1 ZINC000402830239 348583378 /nfs/dbraw/zinc/58/33/78/348583378.db2.gz LAPHFWKBLFIHRH-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)C2CCCCC2)cc1F ZINC000403992260 348589125 /nfs/dbraw/zinc/58/91/25/348589125.db2.gz DZKUTBFSUBEBST-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404358306 348591337 /nfs/dbraw/zinc/59/13/37/348591337.db2.gz MQSZGDBZLLFBAX-QXSJWSMHSA-N 0 3 299.418 2.656 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404358304 348591682 /nfs/dbraw/zinc/59/16/82/348591682.db2.gz MQSZGDBZLLFBAX-QKPAOTATSA-N 0 3 299.418 2.656 20 30 CFEDHN CO[C@H](CN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000397615055 348562323 /nfs/dbraw/zinc/56/23/23/348562323.db2.gz OYDKOCCVHKXHGU-GDBMZVCRSA-N 0 3 258.365 3.000 20 30 CFEDHN N#CCCCNC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000580306372 348673107 /nfs/dbraw/zinc/67/31/07/348673107.db2.gz NWINZTVUNWGPPD-GFCCVEGCSA-N 0 3 286.297 2.502 20 30 CFEDHN CC(C)[C@@H](Cn1cccn1)NCc1ccc(C#N)cc1F ZINC000585726061 348740682 /nfs/dbraw/zinc/74/06/82/348740682.db2.gz WIOALVBZRYAZGC-MRXNPFEDSA-N 0 3 286.354 2.708 20 30 CFEDHN C=CCC[C@@H](NC1CCN(CC#N)CC1)c1ccco1 ZINC000586789863 348752202 /nfs/dbraw/zinc/75/22/02/348752202.db2.gz DPMNVFKVBAIVTC-OAHLLOKOSA-N 0 3 273.380 2.864 20 30 CFEDHN COCC1(NCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589508620 348837351 /nfs/dbraw/zinc/83/73/51/348837351.db2.gz VQMGFXUEXHXXAS-UHFFFAOYSA-N 0 3 284.281 2.846 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@H](n2cccn2)C1 ZINC000589747857 348854428 /nfs/dbraw/zinc/85/44/28/348854428.db2.gz WFLRGIXFDPJFII-INIZCTEOSA-N 0 3 266.348 2.510 20 30 CFEDHN CC[C@@H]1CN(C)c2ccccc2CN1CCOCCC#N ZINC000590162419 348881333 /nfs/dbraw/zinc/88/13/33/348881333.db2.gz SHZUWIFGFUPVNA-MRXNPFEDSA-N 0 3 287.407 2.647 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(c3ccccn3)CC2)C1 ZINC000590169090 348881998 /nfs/dbraw/zinc/88/19/98/348881998.db2.gz CWBWEJICRFFBCK-HIFRSBDPSA-N 0 3 255.365 2.953 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590170249 348882155 /nfs/dbraw/zinc/88/21/55/348882155.db2.gz PLOFVONPMPTLCH-MCIONIFRSA-N 0 3 278.396 2.590 20 30 CFEDHN CC(C)C[C@@H](C)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000590709314 348932279 /nfs/dbraw/zinc/93/22/79/348932279.db2.gz IIZKAQLLEYQHBK-CABCVRRESA-N 0 3 251.418 2.587 20 30 CFEDHN CC(C)C[C@H](C)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000590709317 348932587 /nfs/dbraw/zinc/93/25/87/348932587.db2.gz IIZKAQLLEYQHBK-LSDHHAIUSA-N 0 3 251.418 2.587 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000590757355 348944086 /nfs/dbraw/zinc/94/40/86/348944086.db2.gz RIPIDMIXYVQOEJ-CZUORRHYSA-N 0 3 258.365 2.724 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000591733619 349041270 /nfs/dbraw/zinc/04/12/70/349041270.db2.gz AXSGPTZAQYFNJZ-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000591819853 349047043 /nfs/dbraw/zinc/04/70/43/349047043.db2.gz MOGMNODRSTYOSB-AWEZNQCLSA-N 0 3 284.407 2.728 20 30 CFEDHN N#CC1(CNC(=O)[C@H]2CCCCN2C2CCCC2)CCC1 ZINC000591323002 349009151 /nfs/dbraw/zinc/00/91/51/349009151.db2.gz SHJFBLVOPZIYEL-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329600605 539712455 /nfs/dbraw/zinc/71/24/55/539712455.db2.gz DYHFXLNQBALNBN-RBSFLKMASA-N 0 3 289.423 2.592 20 30 CFEDHN C[C@H]1CN(CCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592195749 349097236 /nfs/dbraw/zinc/09/72/36/349097236.db2.gz USBIGOSLFZZLKJ-ZDUSSCGKSA-N 0 3 250.386 2.960 20 30 CFEDHN CCCC[C@](C)(CO)NCc1cc(C#N)cs1 ZINC000592374148 349111217 /nfs/dbraw/zinc/11/12/17/349111217.db2.gz GHHNSHTXGVKORA-CYBMUJFWSA-N 0 3 252.383 2.651 20 30 CFEDHN Cc1cccc2nc(CCNCc3cc(C#N)cs3)cn21 ZINC000592379038 349112766 /nfs/dbraw/zinc/11/27/66/349112766.db2.gz JPVMSXMDMWWHDX-UHFFFAOYSA-N 0 3 296.399 2.908 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC2CCCCC2)CC1 ZINC000592494371 349127820 /nfs/dbraw/zinc/12/78/20/349127820.db2.gz TXYJOJIAMDMXQM-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1F)[C@H]1CCN(C)C1 ZINC000592521212 349132671 /nfs/dbraw/zinc/13/26/71/349132671.db2.gz WXAZOJRFZCODOF-HNNXBMFYSA-N 0 3 275.371 2.613 20 30 CFEDHN CCCCN(C(=O)C(C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592901638 349176630 /nfs/dbraw/zinc/17/66/30/349176630.db2.gz MPKJUVKXYNRQCS-NEPJUHHUSA-N 0 3 291.420 2.789 20 30 CFEDHN CN(C)CCOc1cccc(-c2ccc(C#N)nc2)c1 ZINC000592984745 349181493 /nfs/dbraw/zinc/18/14/93/349181493.db2.gz REZUMZOQVJUVAO-UHFFFAOYSA-N 0 3 267.332 2.561 20 30 CFEDHN CC[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593015719 349188009 /nfs/dbraw/zinc/18/80/09/349188009.db2.gz XTZWHXWKBRGPCV-NSHDSACASA-N 0 3 259.309 2.698 20 30 CFEDHN CC[C@H]1COC(C)(C)CN1CCCC1(C#N)CCOCC1 ZINC000593058110 349197508 /nfs/dbraw/zinc/19/75/08/349197508.db2.gz JMCVTLDZLPBVSJ-HNNXBMFYSA-N 0 3 294.439 2.976 20 30 CFEDHN CCc1ocnc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000329774868 539727026 /nfs/dbraw/zinc/72/70/26/539727026.db2.gz IVWLIBKUXHAUBM-LLVKDONJSA-N 0 3 277.368 2.559 20 30 CFEDHN CC(C)(C)OC(=O)C[C@H]1CCCCN1CCCC#N ZINC000593091487 349206731 /nfs/dbraw/zinc/20/67/31/349206731.db2.gz KZGHJPMTLJEOKP-CYBMUJFWSA-N 0 3 266.385 2.876 20 30 CFEDHN COc1cc(CN[C@H]2CNc3ccccc3C2)ccc1C#N ZINC000593314178 349245884 /nfs/dbraw/zinc/24/58/84/349245884.db2.gz AIAUVFCTWPKIIT-MRXNPFEDSA-N 0 3 293.370 2.693 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2ccc(C(=O)OC)o2)C1 ZINC000593627449 349301142 /nfs/dbraw/zinc/30/11/42/349301142.db2.gz DUOJIJGZAWXKHY-NEPJUHHUSA-N 0 3 263.337 2.901 20 30 CFEDHN CCOc1ccc(N(CCC#N)C(=O)C(C#N)CC)cc1 ZINC000593449396 349273054 /nfs/dbraw/zinc/27/30/54/349273054.db2.gz BGQRKAJXEXLLFK-ZDUSSCGKSA-N 0 3 285.347 2.882 20 30 CFEDHN CC[C@H](C#N)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000593475371 349278256 /nfs/dbraw/zinc/27/82/56/349278256.db2.gz QIZQNGKWQZPKIP-LSDHHAIUSA-N 0 3 299.418 2.878 20 30 CFEDHN CCCCNC(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031846 349357197 /nfs/dbraw/zinc/35/71/97/349357197.db2.gz LLUXZQDNAKJBFM-UHFFFAOYSA-N 0 3 299.418 2.833 20 30 CFEDHN COc1ccc(C[C@@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000593829590 349330093 /nfs/dbraw/zinc/33/00/93/349330093.db2.gz UJCSRSIXACIVNI-HIFRSBDPSA-N 0 3 286.375 2.778 20 30 CFEDHN Cc1ccccc1C1(NC(=O)[C@H](N)CCCC#N)CCC1 ZINC000593913075 349334678 /nfs/dbraw/zinc/33/46/78/349334678.db2.gz WRHTYHLQXLOFIA-OAHLLOKOSA-N 0 3 285.391 2.512 20 30 CFEDHN Cc1ccccc1C1(NC(=O)[C@@H](N)CCCC#N)CCC1 ZINC000593913074 349335061 /nfs/dbraw/zinc/33/50/61/349335061.db2.gz WRHTYHLQXLOFIA-HNNXBMFYSA-N 0 3 285.391 2.512 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000274033685 192412991 /nfs/dbraw/zinc/41/29/91/192412991.db2.gz BUSCMTHMMLXTII-GDBMZVCRSA-N 0 3 274.339 2.745 20 30 CFEDHN CN(C)CCN(C(=O)CCCCC#N)c1ccccc1 ZINC000593970117 349342720 /nfs/dbraw/zinc/34/27/20/349342720.db2.gz SVKOZSUWTCHITD-UHFFFAOYSA-N 0 3 273.380 2.665 20 30 CFEDHN CC1CCC(N2CCN(C(=O)CCCCC#N)CC2)CC1 ZINC000593980004 349344888 /nfs/dbraw/zinc/34/48/88/349344888.db2.gz VNKUMBRZRUMZQF-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1 ZINC000594003837 349351531 /nfs/dbraw/zinc/35/15/31/349351531.db2.gz BIRSHOMSRUSDLF-LSDHHAIUSA-N 0 3 272.392 2.737 20 30 CFEDHN CC[C@H](CC#N)NCCCOc1ccc([N+](=O)[O-])cc1 ZINC000594009434 349353094 /nfs/dbraw/zinc/35/30/94/349353094.db2.gz NEHZPVBOZYWCFI-GFCCVEGCSA-N 0 3 277.324 2.646 20 30 CFEDHN C[C@@H](COCC1CC1)NCc1cc(C#N)cs1 ZINC000593681255 349309537 /nfs/dbraw/zinc/30/95/37/349309537.db2.gz CEVDZNVICREMJF-JTQLQIEISA-N 0 3 250.367 2.524 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)CSc1ccccc1 ZINC000593760382 349321780 /nfs/dbraw/zinc/32/17/80/349321780.db2.gz BKALKJXJIAWZJM-VXGBXAGGSA-N 0 3 262.378 2.785 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccccc2F)CCC1 ZINC000593762887 349322673 /nfs/dbraw/zinc/32/26/73/349322673.db2.gz YEXVBADKMCPALZ-LLVKDONJSA-N 0 3 260.312 2.523 20 30 CFEDHN CC(C)C[C@H](C#N)NC(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594286524 349404183 /nfs/dbraw/zinc/40/41/83/349404183.db2.gz PKCMKQSGTGYTHQ-DLBZAZTESA-N 0 3 299.418 2.563 20 30 CFEDHN CO[C@@H](CNC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594036133 349359175 /nfs/dbraw/zinc/35/91/75/349359175.db2.gz XHIMHRBOLZZLKH-INIZCTEOSA-N 0 3 270.376 2.952 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@@H]2CC2CCCC2)CCC1 ZINC000594052359 349364270 /nfs/dbraw/zinc/36/42/70/349364270.db2.gz FHPMZTYILGJOQI-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN C[C@@H](O)CN(Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000594065682 349367605 /nfs/dbraw/zinc/36/76/05/349367605.db2.gz SRGHZRCADSJUBC-CYBMUJFWSA-N 0 3 272.392 2.833 20 30 CFEDHN Cc1csc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1C#N ZINC000594111062 349380155 /nfs/dbraw/zinc/38/01/55/349380155.db2.gz QHGLZJYHWWXWRK-GHMZBOCLSA-N 0 3 292.408 2.532 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC000594439909 349422594 /nfs/dbraw/zinc/42/25/94/349422594.db2.gz SJMDSVNWMZGUMJ-GFCCVEGCSA-N 0 3 281.306 2.974 20 30 CFEDHN CCc1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1C ZINC000594437318 349422613 /nfs/dbraw/zinc/42/26/13/349422613.db2.gz MZAJKOJFROOHMT-HNNXBMFYSA-N 0 3 273.380 2.907 20 30 CFEDHN CCCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1CCC1 ZINC000594444435 349423957 /nfs/dbraw/zinc/42/39/57/349423957.db2.gz LYEAJIKCSLSTND-CABCVRRESA-N 0 3 279.428 2.873 20 30 CFEDHN CC(C)(CNC(=O)[C@@H](N)CCCCC#N)c1cccs1 ZINC000594447660 349424475 /nfs/dbraw/zinc/42/44/75/349424475.db2.gz UWZUMEAQGLBDNI-LBPRGKRZSA-N 0 3 293.436 2.553 20 30 CFEDHN N#Cc1ccc2c(c1)CN(C(=O)[C@@H](N)CC1CCCCC1)C2 ZINC000594451792 349425325 /nfs/dbraw/zinc/42/53/25/349425325.db2.gz FZIWVFSZMDWHMC-KRWDZBQOSA-N 0 3 297.402 2.698 20 30 CFEDHN CCC(=O)N1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594498203 349431298 /nfs/dbraw/zinc/43/12/98/349431298.db2.gz OGOLFQOSNJPKDA-INIZCTEOSA-N 0 3 299.418 2.588 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000668739980 539744274 /nfs/dbraw/zinc/74/42/74/539744274.db2.gz QNFMLHVCRBZBOA-RHSMWYFYSA-N 0 3 275.392 2.702 20 30 CFEDHN CC(C)N1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596982835 350011454 /nfs/dbraw/zinc/01/14/54/350011454.db2.gz KQRPJNWHMRTWPQ-UHFFFAOYSA-N 0 3 283.419 2.768 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000596999288 350014530 /nfs/dbraw/zinc/01/45/30/350014530.db2.gz VAYMKJLUMUQQRF-AWEZNQCLSA-N 0 3 270.376 2.853 20 30 CFEDHN CCC1(O)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597012280 350016174 /nfs/dbraw/zinc/01/61/74/350016174.db2.gz QKRBFCHNXHOFCW-UHFFFAOYSA-N 0 3 284.403 2.979 20 30 CFEDHN C=C[C@@H](C)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597062687 350024152 /nfs/dbraw/zinc/02/41/52/350024152.db2.gz JOMIOSVKFAPCJS-SECBINFHSA-N 0 3 253.729 2.791 20 30 CFEDHN C=CCCCCNCc1cc(C)c(C(=O)OC)o1 ZINC000597088697 350028845 /nfs/dbraw/zinc/02/88/45/350028845.db2.gz MKLOKTYWIYYUHN-UHFFFAOYSA-N 0 3 251.326 2.821 20 30 CFEDHN CCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594426321 349417683 /nfs/dbraw/zinc/41/76/83/349417683.db2.gz OIOSUCWIFKTPKH-CQSZACIVSA-N 0 3 259.353 2.599 20 30 CFEDHN Cc1cc(Cl)ccc1NC(=O)[C@H](N)CCCCC#N ZINC000594426248 349418018 /nfs/dbraw/zinc/41/80/18/349418018.db2.gz ODSQYAIQANREDW-GFCCVEGCSA-N 0 3 279.771 2.998 20 30 CFEDHN CCCOc1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594425827 349418051 /nfs/dbraw/zinc/41/80/51/349418051.db2.gz AKOGIYBIOARVOK-OAHLLOKOSA-N 0 3 289.379 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N(CC1CCCCC1)C1CC1 ZINC000594428455 349418448 /nfs/dbraw/zinc/41/84/48/349418448.db2.gz LSQHEVNVGCUNLS-MRXNPFEDSA-N 0 3 291.439 2.969 20 30 CFEDHN CCCOc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594427662 349418471 /nfs/dbraw/zinc/41/84/71/349418471.db2.gz VWMJRWFJSUKTNJ-ZDUSSCGKSA-N 0 3 289.379 2.825 20 30 CFEDHN CCN(CCc1cccs1)C(=O)[C@@H](N)CCCCC#N ZINC000594427710 349418761 /nfs/dbraw/zinc/41/87/61/349418761.db2.gz JBIPCBRNOGLLGG-AWEZNQCLSA-N 0 3 293.436 2.550 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2scnc2c1 ZINC000594428457 349418820 /nfs/dbraw/zinc/41/88/20/349418820.db2.gz MEQWGYNUVRXRFJ-NSHDSACASA-N 0 3 288.376 2.646 20 30 CFEDHN CC(C)CN(CC(C)C)C(=O)[C@H](N)CCCCC#N ZINC000594427383 349418901 /nfs/dbraw/zinc/41/89/01/349418901.db2.gz UAQRJFUXWAOWML-CQSZACIVSA-N 0 3 267.417 2.538 20 30 CFEDHN Cc1ccc(Cl)c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594427219 349418920 /nfs/dbraw/zinc/41/89/20/349418920.db2.gz HHTSPNFSADHKAC-LBPRGKRZSA-N 0 3 279.771 2.998 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000594427822 349418929 /nfs/dbraw/zinc/41/89/29/349418929.db2.gz JSTIGGUTGHXNKP-LBPRGKRZSA-N 0 3 283.734 2.829 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000594428221 349418960 /nfs/dbraw/zinc/41/89/60/349418960.db2.gz LURMVVUFLGETJR-MRXNPFEDSA-N 0 3 299.418 2.636 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2[nH]ccc21 ZINC000594428977 349419352 /nfs/dbraw/zinc/41/93/52/349419352.db2.gz PXLOAIICRAMCQA-GFCCVEGCSA-N 0 3 270.336 2.518 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000594430090 349419451 /nfs/dbraw/zinc/41/94/51/349419451.db2.gz YRWGYKZEJJBDBB-AWEZNQCLSA-N 0 3 298.346 2.691 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000594430091 349419482 /nfs/dbraw/zinc/41/94/82/349419482.db2.gz YRWGYKZEJJBDBB-CQSZACIVSA-N 0 3 298.346 2.691 20 30 CFEDHN CCC(CC)N(C(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594430005 349419573 /nfs/dbraw/zinc/41/95/73/349419573.db2.gz YZKBEYUJSFSQRL-AWEZNQCLSA-N 0 3 265.401 2.577 20 30 CFEDHN CC(C)C[C@@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594432672 349420610 /nfs/dbraw/zinc/42/06/10/349420610.db2.gz FXGYDJQKDQVRHY-GJZGRUSLSA-N 0 3 279.428 2.682 20 30 CFEDHN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCCC#N ZINC000594432534 349420769 /nfs/dbraw/zinc/42/07/69/349420769.db2.gz CLWUPWSISCQPEL-HYVNUMGLSA-N 0 3 299.418 2.802 20 30 CFEDHN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594432821 349420892 /nfs/dbraw/zinc/42/08/92/349420892.db2.gz BZVYWGNYBQOCJD-RRFJBIMHSA-N 0 3 279.428 2.729 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@H](N)CCCCC#N ZINC000594434842 349421686 /nfs/dbraw/zinc/42/16/86/349421686.db2.gz UYBZIZFGUGWDGW-RBSFLKMASA-N 0 3 279.428 2.730 20 30 CFEDHN CC(C)CC(CC(C)C)NC(=O)[C@H](N)CCCCC#N ZINC000594434108 349421763 /nfs/dbraw/zinc/42/17/63/349421763.db2.gz KWLFVLXGGZFRDY-OAHLLOKOSA-N 0 3 281.444 2.975 20 30 CFEDHN CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594436548 349421795 /nfs/dbraw/zinc/42/17/95/349421795.db2.gz KGCDUCXIFRLDDQ-KFWWJZLASA-N 0 3 279.428 2.873 20 30 CFEDHN CC#CCN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271222708 191012460 /nfs/dbraw/zinc/01/24/60/191012460.db2.gz DBBUCLNHBUPYPJ-AWEZNQCLSA-N 0 3 253.349 2.524 20 30 CFEDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597291124 350079514 /nfs/dbraw/zinc/07/95/14/350079514.db2.gz BMFHOKXWEBFJQR-HUUCEWRRSA-N 0 3 291.439 2.649 20 30 CFEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCOC1 ZINC000597127399 350033801 /nfs/dbraw/zinc/03/38/01/350033801.db2.gz GFGFQBDRRYWJSC-MRXNPFEDSA-N 0 3 270.376 2.853 20 30 CFEDHN COC(=O)CC(C)(C)C[C@H](C)NCC1(C#N)CCC1 ZINC000597152436 350039535 /nfs/dbraw/zinc/03/95/35/350039535.db2.gz APHICPWFTSSTEA-LBPRGKRZSA-N 0 3 266.385 2.638 20 30 CFEDHN C=CCC1(NCc2ccc(C(=O)OCC)o2)CCOCC1 ZINC000597206174 350055291 /nfs/dbraw/zinc/05/52/91/350055291.db2.gz RAWGWENKMQKKTC-UHFFFAOYSA-N 0 3 293.363 2.671 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000597530011 350108529 /nfs/dbraw/zinc/10/85/29/350108529.db2.gz AIAKCKSHTUAPSH-YOEHRIQHSA-N 0 3 299.418 2.563 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)CC#N)N(C)C ZINC000597543988 350110118 /nfs/dbraw/zinc/11/01/18/350110118.db2.gz CFLHQSZOUGIINU-FMKPAKJESA-N 0 3 287.407 2.652 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000090883678 180053157 /nfs/dbraw/zinc/05/31/57/180053157.db2.gz JXFVIDNNBSIEIH-CYBMUJFWSA-N 0 3 276.380 2.888 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597951046 350161287 /nfs/dbraw/zinc/16/12/87/350161287.db2.gz VHHZGASBNZSOQS-ZIAGYGMSSA-N 0 3 299.418 2.782 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000598223774 350219919 /nfs/dbraw/zinc/21/99/19/350219919.db2.gz MZJCHPRDOPQETG-RISCZKNCSA-N 0 3 290.338 2.664 20 30 CFEDHN C[C@H](C(=O)NCC1(C#N)CCCCC1)N1[C@H](C)CC[C@H]1C ZINC000598308168 350231374 /nfs/dbraw/zinc/23/13/74/350231374.db2.gz DQEKVYCDBQSPBD-RBSFLKMASA-N 0 3 291.439 2.838 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000598620454 350295557 /nfs/dbraw/zinc/29/55/57/350295557.db2.gz AGJSBCCOVRSVDS-NWDGAFQWSA-N 0 3 292.345 2.952 20 30 CFEDHN CCOc1cncc(CNCCOc2ccc(C#N)cc2)c1 ZINC000598635291 350298188 /nfs/dbraw/zinc/29/81/88/350298188.db2.gz RIHYVBMDMYPDRW-UHFFFAOYSA-N 0 3 297.358 2.521 20 30 CFEDHN C=CCSCCN[C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000598677946 350308669 /nfs/dbraw/zinc/30/86/69/350308669.db2.gz LPZURHFEZMOJJL-OAHLLOKOSA-N 0 3 290.432 2.993 20 30 CFEDHN CC(=O)N1CC[C@@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000598678962 350309320 /nfs/dbraw/zinc/30/93/20/350309320.db2.gz BMYAWJJIXUSEJR-OAHLLOKOSA-N 0 3 283.375 2.768 20 30 CFEDHN CC(C)Oc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598699532 350312015 /nfs/dbraw/zinc/31/20/15/350312015.db2.gz GAJXERGTOHBQEN-HNNXBMFYSA-N 0 3 290.407 2.864 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Cl)s1 ZINC000598701505 350312596 /nfs/dbraw/zinc/31/25/96/350312596.db2.gz WCMMUSSQMDUZIG-VIFPVBQESA-N 0 3 272.801 2.792 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC(C2CCCCC2)C1 ZINC000598706671 350314373 /nfs/dbraw/zinc/31/43/73/350314373.db2.gz TUIUZMQWOQGTQV-HNNXBMFYSA-N 0 3 264.413 2.799 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CSc2ccccc21 ZINC000598720259 350317748 /nfs/dbraw/zinc/31/77/48/350317748.db2.gz NPMXCVSHDOKNJD-YPMHNXCESA-N 0 3 276.405 2.724 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1COc2c1cccc2Cl ZINC000598722207 350318405 /nfs/dbraw/zinc/31/84/05/350318405.db2.gz ATJIACZJLGIOMR-GWCFXTLKSA-N 0 3 294.782 2.664 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1coc2ccccc12 ZINC000598721876 350318575 /nfs/dbraw/zinc/31/85/75/350318575.db2.gz XPTJQLSWDOUWAW-CYBMUJFWSA-N 0 3 272.348 2.823 20 30 CFEDHN COCC#CCN(Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000677818689 539792895 /nfs/dbraw/zinc/79/28/95/539792895.db2.gz TZPXWQJEOFXJKG-OAHLLOKOSA-N 0 3 287.403 2.946 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2ccccn2)CC1 ZINC000598597450 350289917 /nfs/dbraw/zinc/28/99/17/350289917.db2.gz RGOQYCSXYKSUKA-HNNXBMFYSA-N 0 3 287.407 2.562 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H](O)CC(C)(C)C#N ZINC000598601653 350291867 /nfs/dbraw/zinc/29/18/67/350291867.db2.gz LQQQZZZOKNEYAU-AWEZNQCLSA-N 0 3 276.380 2.611 20 30 CFEDHN CCc1cnccc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598603899 350292177 /nfs/dbraw/zinc/29/21/77/350292177.db2.gz LCVNLNZBOHOMLZ-GXTWGEPZSA-N 0 3 275.396 2.595 20 30 CFEDHN N#CCCCCNCc1ncc(Br)cc1F ZINC000598963372 350350292 /nfs/dbraw/zinc/35/02/92/350350292.db2.gz ORGBRHNTQDYRLE-UHFFFAOYSA-N 0 3 286.148 2.767 20 30 CFEDHN C=CCOCCNCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598972872 350351794 /nfs/dbraw/zinc/35/17/94/350351794.db2.gz YNPOLKHMPGAIAP-UHFFFAOYSA-N 0 3 297.420 2.996 20 30 CFEDHN CC(C)CC[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000598991596 350355477 /nfs/dbraw/zinc/35/54/77/350355477.db2.gz OSTBWOSNPJIWPK-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000599014777 350358852 /nfs/dbraw/zinc/35/88/52/350358852.db2.gz FMENBEKSQWNSEL-KOMQPUFPSA-N 0 3 274.364 2.636 20 30 CFEDHN CC[C@@H]1CCC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598819485 350333895 /nfs/dbraw/zinc/33/38/95/350333895.db2.gz IQUCLOFAGNZKOD-BRWVUGGUSA-N 0 3 295.386 2.935 20 30 CFEDHN CC[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(C#N)cc1 ZINC000599094670 350374930 /nfs/dbraw/zinc/37/49/30/350374930.db2.gz XNIPBCNRYNLWBV-IAGOWNOFSA-N 0 3 297.402 2.752 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)c(C#N)c1 ZINC000599433660 350436854 /nfs/dbraw/zinc/43/68/54/350436854.db2.gz VJANOSQSNRUHNH-CVEARBPZSA-N 0 3 256.349 2.690 20 30 CFEDHN Cc1ccc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc1C#N ZINC000599435479 350437818 /nfs/dbraw/zinc/43/78/18/350437818.db2.gz WHOVWEVJTWAKRM-CVEARBPZSA-N 0 3 270.376 2.724 20 30 CFEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(C)c(C#N)c1)CC2 ZINC000599297328 350409024 /nfs/dbraw/zinc/40/90/24/350409024.db2.gz WOWQELCCRXNJLG-MRXNPFEDSA-N 0 3 298.386 2.642 20 30 CFEDHN N#CCC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599355292 350421228 /nfs/dbraw/zinc/42/12/28/350421228.db2.gz XUKDGXLUNCDRFR-HZPDHXFCSA-N 0 3 283.375 2.676 20 30 CFEDHN Cc1csc([C@@H](NC[C@H](O)CC2(C#N)CC2)C2CC2)n1 ZINC000599353045 350421438 /nfs/dbraw/zinc/42/14/38/350421438.db2.gz KCCUTGDGRAKIOB-OLZOCXBDSA-N 0 3 291.420 2.547 20 30 CFEDHN Cc1cnc([C@@H](NC[C@@H](O)CC2(C#N)CC2)C2CC2)s1 ZINC000599358951 350423815 /nfs/dbraw/zinc/42/38/15/350423815.db2.gz JZQFYGQDUNGNAK-STQMWFEESA-N 0 3 291.420 2.547 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552378 350454989 /nfs/dbraw/zinc/45/49/89/350454989.db2.gz AWRVKLKLAVBSGI-CVEARBPZSA-N 0 3 288.416 2.907 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585430 350459931 /nfs/dbraw/zinc/45/99/31/350459931.db2.gz YUPKLUGSFYAOGB-KBUPBQIOSA-N 0 3 292.423 2.978 20 30 CFEDHN C=C(C)CN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599590445 350461416 /nfs/dbraw/zinc/46/14/16/350461416.db2.gz XGXHTGMSKAGDBW-QWHCGFSZSA-N 0 3 253.386 2.862 20 30 CFEDHN Cc1ccc(CN2CCCCC[C@@H]2CO)cc1C#N ZINC000599453215 350440035 /nfs/dbraw/zinc/44/00/35/350440035.db2.gz NDFZPEPYPYTRSV-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN N#CC1(NC(=O)CN2CCCC3(CC3)CC2)CCCCC1 ZINC000599673449 350478860 /nfs/dbraw/zinc/47/88/60/350478860.db2.gz OYDVVSQQOXQHIY-UHFFFAOYSA-N 0 3 289.423 2.595 20 30 CFEDHN N#CCc1cccc2c1CCN(CC[C@H]1CCOC1)C2 ZINC000599678967 350481017 /nfs/dbraw/zinc/48/10/17/350481017.db2.gz USFVXDGFZDAALB-AWEZNQCLSA-N 0 3 270.376 2.537 20 30 CFEDHN Cc1nccn1CCCN1CCc2c(CC#N)cccc2C1 ZINC000599678896 350481162 /nfs/dbraw/zinc/48/11/62/350481162.db2.gz YZYMGDVUXNEQJP-UHFFFAOYSA-N 0 3 294.402 2.706 20 30 CFEDHN N#CC[C@]1(O)CCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000600168283 350528806 /nfs/dbraw/zinc/52/88/06/350528806.db2.gz VWVCJQLANDWNOF-AWEZNQCLSA-N 0 3 298.308 2.598 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000600183754 350533724 /nfs/dbraw/zinc/53/37/24/350533724.db2.gz DYJDWRBLKZZCIH-CYBMUJFWSA-N 0 3 276.380 2.898 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000600184870 350533822 /nfs/dbraw/zinc/53/38/22/350533822.db2.gz HZBWOVXWLODOFB-CYBMUJFWSA-N 0 3 266.348 2.604 20 30 CFEDHN CC1(C#N)CCN(Cc2cccc3n[nH]cc32)CC1 ZINC000600146928 350520022 /nfs/dbraw/zinc/52/00/22/350520022.db2.gz ILJVIBBMRDTRLX-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN CCOCCN(C(=O)C(C)C#N)[C@@H]1CCc2ccccc21 ZINC000600449787 350556265 /nfs/dbraw/zinc/55/62/65/350556265.db2.gz VYFJSYOVLZXBCR-CZUORRHYSA-N 0 3 286.375 2.699 20 30 CFEDHN CC(C#N)C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600487115 350558583 /nfs/dbraw/zinc/55/85/83/350558583.db2.gz AHRYNXJXOZBVJD-VIFPVBQESA-N 0 3 282.265 2.750 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2ccc(Cl)s2)CC1 ZINC000600715795 350600014 /nfs/dbraw/zinc/60/00/14/350600014.db2.gz CQKDHGCYFZTUBP-SECBINFHSA-N 0 3 270.785 2.546 20 30 CFEDHN CC(C#N)C(=O)NCc1ccccc1CC(F)(F)F ZINC000600795705 350614465 /nfs/dbraw/zinc/61/44/65/350614465.db2.gz AFUBTEXTTNKDHU-VIFPVBQESA-N 0 3 270.254 2.567 20 30 CFEDHN N#Cc1ccc(CN[C@H](C2CCC2)[C@H]2CCCO2)o1 ZINC000601156648 350684567 /nfs/dbraw/zinc/68/45/67/350684567.db2.gz UWDHPBLBDBJRSY-HUUCEWRRSA-N 0 3 260.337 2.589 20 30 CFEDHN CC[C@@H](C)N[C@H](CNc1cc(C#N)cc(C)n1)c1ccco1 ZINC000601164298 350685635 /nfs/dbraw/zinc/68/56/35/350685635.db2.gz BCNLCOUMJOMFMB-IUODEOHRSA-N 0 3 298.390 2.818 20 30 CFEDHN CCCN(CCN1CCCC1)c1cc(C#N)nc(C2CC2)n1 ZINC000601165391 350685827 /nfs/dbraw/zinc/68/58/27/350685827.db2.gz NSYIMIBARITRPQ-UHFFFAOYSA-N 0 3 299.422 2.538 20 30 CFEDHN CC(C)C[C@@H](C)C[C@@H](C)N1CCN(CCC#N)CC1 ZINC000601316062 350722306 /nfs/dbraw/zinc/72/23/06/350722306.db2.gz FZYFWDNKMZPHSL-HZPDHXFCSA-N 0 3 265.445 2.978 20 30 CFEDHN CC(C)C1(c2ccccc2)CN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601960174 350819678 /nfs/dbraw/zinc/81/96/78/350819678.db2.gz QBYBJQFKVCSJLC-KRWDZBQOSA-N 0 3 298.430 2.951 20 30 CFEDHN N#CCCN[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601970068 350821694 /nfs/dbraw/zinc/82/16/94/350821694.db2.gz WWUWGVCCHCTKOT-QGZVFWFLSA-N 0 3 271.408 2.934 20 30 CFEDHN CC1(F)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000601868296 350794266 /nfs/dbraw/zinc/79/42/66/350794266.db2.gz JDKUKEMKGZINMZ-OAHLLOKOSA-N 0 3 299.349 2.591 20 30 CFEDHN C[C@@H](CC1CCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601869812 350795543 /nfs/dbraw/zinc/79/55/43/350795543.db2.gz KZLNDTXFOMMWBZ-GUYCJALGSA-N 0 3 295.386 2.935 20 30 CFEDHN CCN1CCCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602008836 350829620 /nfs/dbraw/zinc/82/96/20/350829620.db2.gz VFUVZXYGESGPJB-AWEZNQCLSA-N 0 3 275.371 2.661 20 30 CFEDHN C[C@H](C[C@H]1CCOC1)NCc1cccc(F)c1C#N ZINC000602010793 350830492 /nfs/dbraw/zinc/83/04/92/350830492.db2.gz DRARVWPGPSMSFY-VXGBXAGGSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H](Cc1ccncc1)NCc1cccc(F)c1C#N ZINC000602010768 350830567 /nfs/dbraw/zinc/83/05/67/350830567.db2.gz DEKDKJWHTZEHOM-GFCCVEGCSA-N 0 3 269.323 2.813 20 30 CFEDHN C[C@H](CNCc1cccc(F)c1C#N)c1ccncc1 ZINC000602011679 350830576 /nfs/dbraw/zinc/83/05/76/350830576.db2.gz JOCIVZAGUWPGKN-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN COC(C)(C)C[C@@H](C)NCc1cccc(F)c1C#N ZINC000602010749 350830666 /nfs/dbraw/zinc/83/06/66/350830666.db2.gz JSAMXSARUNIKRS-LLVKDONJSA-N 0 3 264.344 2.991 20 30 CFEDHN CO[C@H]1CCC[C@H]1CNCc1cccc(F)c1C#N ZINC000602014615 350831350 /nfs/dbraw/zinc/83/13/50/350831350.db2.gz FSFZYMIBROLDIX-WFASDCNBSA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C)(CCCO)CNCc1cccc(F)c1C#N ZINC000602016436 350832262 /nfs/dbraw/zinc/83/22/62/350832262.db2.gz WNAHEDAKUUONKM-UHFFFAOYSA-N 0 3 264.344 2.586 20 30 CFEDHN CC(C)[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015802 350832403 /nfs/dbraw/zinc/83/24/03/350832403.db2.gz QQGABFHYKUFDAQ-CJNGLKHVSA-N 0 3 276.355 2.991 20 30 CFEDHN CC1(C)C[C@@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602016979 350833217 /nfs/dbraw/zinc/83/32/17/350833217.db2.gz BSCGZDOLWFUYLP-LBPRGKRZSA-N 0 3 276.355 2.992 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@H]1CC1(F)F ZINC000602029742 350835661 /nfs/dbraw/zinc/83/56/61/350835661.db2.gz XCUXPKIJCKUBDQ-JTQLQIEISA-N 0 3 254.255 2.832 20 30 CFEDHN CN(CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)CC(C)(C)C ZINC000602138604 350845951 /nfs/dbraw/zinc/84/59/51/350845951.db2.gz CNZGKGZSWVJLEU-MRXNPFEDSA-N 0 3 299.418 2.640 20 30 CFEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2cccc(C#N)n2)C1(C)C ZINC000602482905 350901321 /nfs/dbraw/zinc/90/13/21/350901321.db2.gz JHIMUCRILBLIEZ-ZBFHGGJFSA-N 0 3 273.380 2.589 20 30 CFEDHN CCN(CCCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602513543 350910785 /nfs/dbraw/zinc/91/07/85/350910785.db2.gz NVGVGCWFWUZHJA-UHFFFAOYSA-N 0 3 294.402 2.959 20 30 CFEDHN CC1(C)CCC(C)(C)N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000602525698 350914184 /nfs/dbraw/zinc/91/41/84/350914184.db2.gz HSRJCXJBGRVRHR-CYBMUJFWSA-N 0 3 279.428 2.825 20 30 CFEDHN N#Cc1cccc(CNC2CCN(c3ccccc3)CC2)n1 ZINC000602532319 350915899 /nfs/dbraw/zinc/91/58/99/350915899.db2.gz WCWWEJABLOZOFY-UHFFFAOYSA-N 0 3 292.386 2.712 20 30 CFEDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000602534103 350917139 /nfs/dbraw/zinc/91/71/39/350917139.db2.gz OAXNTXZTLJFIAR-PMPSAXMXSA-N 0 3 299.418 2.706 20 30 CFEDHN Cc1ccccc1OCCCNCc1cccc(C#N)n1 ZINC000602540775 350918293 /nfs/dbraw/zinc/91/82/93/350918293.db2.gz SBULDFAVZCHNGP-UHFFFAOYSA-N 0 3 281.359 2.820 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602546825 350920074 /nfs/dbraw/zinc/92/00/74/350920074.db2.gz XJOQODYSOGUYOO-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)N(C)Cc1ccccc1 ZINC000602550525 350920813 /nfs/dbraw/zinc/92/08/13/350920813.db2.gz KDRVUMKGWJTVPN-HNNXBMFYSA-N 0 3 294.402 2.563 20 30 CFEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000602553308 350922270 /nfs/dbraw/zinc/92/22/70/350922270.db2.gz CRYOWUBEGJYAEO-HIFRSBDPSA-N 0 3 279.428 2.682 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)Oc1ccccc1F ZINC000602562593 350924963 /nfs/dbraw/zinc/92/49/63/350924963.db2.gz UTEMSUBTZGGMJN-LBPRGKRZSA-N 0 3 285.322 2.649 20 30 CFEDHN CC(C)[C@H](CNCc1cccc(C#N)n1)c1cccnc1 ZINC000602574246 350930383 /nfs/dbraw/zinc/93/03/83/350930383.db2.gz ZAMZHNITHJNVLU-KRWDZBQOSA-N 0 3 280.375 2.878 20 30 CFEDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1cccc(C#N)n1 ZINC000602580772 350932491 /nfs/dbraw/zinc/93/24/91/350932491.db2.gz GHNKRLYZPOOYRK-SJCJKPOMSA-N 0 3 299.349 2.958 20 30 CFEDHN C[C@@H](C1CC1)N(C(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000602580051 350932567 /nfs/dbraw/zinc/93/25/67/350932567.db2.gz CQLUOLMPKWXLBA-BBRMVZONSA-N 0 3 285.391 2.839 20 30 CFEDHN Cc1cccc2[nH]c(CNC[C@H](C)CCC#N)nc21 ZINC000602581970 350933843 /nfs/dbraw/zinc/93/38/43/350933843.db2.gz UYYIHUDYAQXHNB-LLVKDONJSA-N 0 3 256.353 2.901 20 30 CFEDHN CN(CCc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC000602449160 350887336 /nfs/dbraw/zinc/88/73/36/350887336.db2.gz OFNRJMIQQKXFFN-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN C[C@H](CCC#N)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602464058 350891590 /nfs/dbraw/zinc/89/15/90/350891590.db2.gz IQOXOZRVUCOKGJ-GDBMZVCRSA-N 0 3 285.391 2.664 20 30 CFEDHN C[C@@H](CCC#N)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602464061 350891632 /nfs/dbraw/zinc/89/16/32/350891632.db2.gz IQOXOZRVUCOKGJ-GOEBONIOSA-N 0 3 285.391 2.664 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](c3ccco3)C2)n1 ZINC000602467344 350893880 /nfs/dbraw/zinc/89/38/80/350893880.db2.gz HXUYRYONBMUIDR-LBPRGKRZSA-N 0 3 253.305 2.536 20 30 CFEDHN C[C@H]1CC(CCNCc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602651035 350961784 /nfs/dbraw/zinc/96/17/84/350961784.db2.gz FBNDOVYBYPGUNA-STQMWFEESA-N 0 3 273.380 2.637 20 30 CFEDHN C[C@@H](CCC#N)CN1CCOCC12CCCCC2 ZINC000602683407 350976759 /nfs/dbraw/zinc/97/67/59/350976759.db2.gz VOALZRCRUJLKOK-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN C[C@@H](CCCc1cccnc1)NCc1cccc(C#N)n1 ZINC000602690284 350980455 /nfs/dbraw/zinc/98/04/55/350980455.db2.gz IIWDORNQOYOKCJ-AWEZNQCLSA-N 0 3 280.375 2.849 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cc(C(=O)OC)no1 ZINC000602704008 350989367 /nfs/dbraw/zinc/98/93/67/350989367.db2.gz ACKPLTMCNKBEOU-AAEUAGOBSA-N 0 3 278.352 2.686 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](C3CCC3)C2)n1 ZINC000602716193 350996955 /nfs/dbraw/zinc/99/69/55/350996955.db2.gz AKAWLLPLEGZZPC-CQSZACIVSA-N 0 3 255.365 2.965 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(c2ccccc2OC)CC1 ZINC000602610111 350944456 /nfs/dbraw/zinc/94/44/56/350944456.db2.gz GAAWLKLDBLQAST-AWEZNQCLSA-N 0 3 287.407 2.946 20 30 CFEDHN COCC[C@H]1CCCCN(Cc2cccc(C#N)n2)C1 ZINC000602610866 350945427 /nfs/dbraw/zinc/94/54/27/350945427.db2.gz JOXZKOWHSRCTMZ-CQSZACIVSA-N 0 3 273.380 2.592 20 30 CFEDHN Cc1nnc([C@@H](C)NC2CCC(C#N)CC2)s1 ZINC000602613797 350946383 /nfs/dbraw/zinc/94/63/83/350946383.db2.gz QCZKFKGAMYSHRZ-MFAVDMRSSA-N 0 3 250.371 2.580 20 30 CFEDHN Cc1nnc([C@H](C)NC2CCC(C#N)CC2)s1 ZINC000602613799 350946550 /nfs/dbraw/zinc/94/65/50/350946550.db2.gz QCZKFKGAMYSHRZ-PUSIOWJLSA-N 0 3 250.371 2.580 20 30 CFEDHN CCOC(=O)[C@@H](CC)N(C[C@H](C)CCC#N)C1CC1 ZINC000602629216 350952654 /nfs/dbraw/zinc/95/26/54/350952654.db2.gz FQZZBFOZCYPFOW-TZMCWYRMSA-N 0 3 266.385 2.732 20 30 CFEDHN CO[C@H](CN[C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000602639575 350957295 /nfs/dbraw/zinc/95/72/95/350957295.db2.gz KKEQWALFHCURBE-JKSUJKDBSA-N 0 3 256.349 2.560 20 30 CFEDHN COc1ccccc1CCN(C)CC1(CC#N)CC1 ZINC000602773465 351020525 /nfs/dbraw/zinc/02/05/25/351020525.db2.gz UFMMVZOHKGHZNX-UHFFFAOYSA-N 0 3 258.365 2.863 20 30 CFEDHN N#CCC1(CN2CCC[C@H](c3nnc4ccccn43)C2)CC1 ZINC000602777585 351021233 /nfs/dbraw/zinc/02/12/33/351021233.db2.gz GVSVSXAQMKMKFD-AWEZNQCLSA-N 0 3 295.390 2.603 20 30 CFEDHN CC(C)(NCC1(CC#N)CC1)C(=O)NCC1CCCCC1 ZINC000602795828 351028197 /nfs/dbraw/zinc/02/81/97/351028197.db2.gz AHSMNSPBCNEDDM-UHFFFAOYSA-N 0 3 291.439 2.745 20 30 CFEDHN CC1(C#N)CCN(Cc2cccc3c2CCOC3)CC1 ZINC000602803802 351031484 /nfs/dbraw/zinc/03/14/84/351031484.db2.gz ARUPGYIPDBHRIM-UHFFFAOYSA-N 0 3 270.376 2.885 20 30 CFEDHN Cc1noc(C[C@H](NCC2(CC#N)CC2)c2ccccc2)n1 ZINC000602822872 351038148 /nfs/dbraw/zinc/03/81/48/351038148.db2.gz SYXVXXFPTVWNCB-HNNXBMFYSA-N 0 3 296.374 2.945 20 30 CFEDHN CN(C(=O)[C@@H]1CCN(CC2(CC#N)CC2)C1)c1ccccc1 ZINC000602828905 351039082 /nfs/dbraw/zinc/03/90/82/351039082.db2.gz SYPCMXJGFSYHHM-OAHLLOKOSA-N 0 3 297.402 2.665 20 30 CFEDHN N#CCC1(CN2CCC[C@H](c3ccccn3)C2)CC1 ZINC000602838034 351041261 /nfs/dbraw/zinc/04/12/61/351041261.db2.gz DVSAOTUKQUYSMB-AWEZNQCLSA-N 0 3 255.365 2.955 20 30 CFEDHN CCc1ccccc1CCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854700 351047589 /nfs/dbraw/zinc/04/75/89/351047589.db2.gz QHFKMVVXYCZTBX-HZPDHXFCSA-N 0 3 285.435 2.710 20 30 CFEDHN C[C@@H]1CCN(CC2(CC#N)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000602857423 351047742 /nfs/dbraw/zinc/04/77/42/351047742.db2.gz WQCZNVWAWJRXOH-ZIAGYGMSSA-N 0 3 292.423 2.980 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(SC)CC1 ZINC000602921330 351067149 /nfs/dbraw/zinc/06/71/49/351067149.db2.gz HHNXNCMZJFKJKQ-CYBMUJFWSA-N 0 3 284.469 2.627 20 30 CFEDHN N#Cc1ccc(C2CCN(CCc3cncs3)CC2)nc1 ZINC000602907756 351063124 /nfs/dbraw/zinc/06/31/24/351063124.db2.gz VIQRRBROIFHXQJ-UHFFFAOYSA-N 0 3 298.415 2.832 20 30 CFEDHN C=CCC1(NCc2cn(C)nc2[N+](=O)[O-])CCCCC1 ZINC000602916157 351063814 /nfs/dbraw/zinc/06/38/14/351063814.db2.gz RDSHLWAHXLKZPA-UHFFFAOYSA-N 0 3 278.356 2.697 20 30 CFEDHN CC1=CCC[C@@H](C)[C@@H]1CN1CCN(CCC#N)CC1 ZINC000602748699 351012700 /nfs/dbraw/zinc/01/27/00/351012700.db2.gz QTRHUEWYXDVEJQ-HZPDHXFCSA-N 0 3 261.413 2.510 20 30 CFEDHN COC(=O)c1oc(CNC2CCC(C)(C#N)CC2)cc1C ZINC000602745322 351013208 /nfs/dbraw/zinc/01/32/08/351013208.db2.gz YNRWFMREGUAHKA-UHFFFAOYSA-N 0 3 290.363 2.937 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603078304 351101654 /nfs/dbraw/zinc/10/16/54/351101654.db2.gz LYHPXLKQBFJVEQ-UHFFFAOYSA-N 0 3 292.358 2.551 20 30 CFEDHN Cc1cc(C#N)ccc1Cn1cc(CNC2CCCC2)nn1 ZINC000603238693 351123594 /nfs/dbraw/zinc/12/35/94/351123594.db2.gz WHXQIMWZUSHRNS-UHFFFAOYSA-N 0 3 295.390 2.539 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@H](C)C(C)(C)C ZINC000603053433 351096140 /nfs/dbraw/zinc/09/61/40/351096140.db2.gz CKUZBOXVMMDQIA-KGLIPLIRSA-N 0 3 281.444 2.609 20 30 CFEDHN COCc1cc(C#N)ccc1NC1CCN(C2CC2)CC1 ZINC000603269930 351127763 /nfs/dbraw/zinc/12/77/63/351127763.db2.gz DOHDPUWBIAFDJK-UHFFFAOYSA-N 0 3 285.391 2.743 20 30 CFEDHN C[C@H]1C[C@@H](Nc2c(C#N)cnn2-c2ccccc2)CCN1C ZINC000603295769 351133068 /nfs/dbraw/zinc/13/30/68/351133068.db2.gz GMTVFTPZVONUAY-ZFWWWQNUSA-N 0 3 295.390 2.639 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000605738788 351257364 /nfs/dbraw/zinc/25/73/64/351257364.db2.gz XOFCYOSWSDIILA-RRFJBIMHSA-N 0 3 266.429 2.825 20 30 CFEDHN CCC(CC)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000604525330 351216773 /nfs/dbraw/zinc/21/67/73/351216773.db2.gz PJBPXJBODJRAKK-UHFFFAOYSA-N 0 3 291.439 2.982 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)o1 ZINC000604554184 351218629 /nfs/dbraw/zinc/21/86/29/351218629.db2.gz MJTBQUGLNAZNFX-HNNXBMFYSA-N 0 3 282.347 2.629 20 30 CFEDHN C=CCCN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000606896533 351300875 /nfs/dbraw/zinc/30/08/75/351300875.db2.gz YYKJEXOEVIKFRN-UHFFFAOYSA-N 0 3 274.408 2.697 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc1 ZINC000271431439 191133927 /nfs/dbraw/zinc/13/39/27/191133927.db2.gz DDWJVOFEXVWODU-CHWSQXEVSA-N 0 3 269.348 2.834 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000609620677 351512122 /nfs/dbraw/zinc/51/21/22/351512122.db2.gz LXVMMFBJIZRXBX-VXGBXAGGSA-N 0 3 283.331 2.693 20 30 CFEDHN N#Cc1cnc(NCCN2CCCCCC2)c(Cl)c1 ZINC000609630872 351513101 /nfs/dbraw/zinc/51/31/01/351513101.db2.gz OYKIHOPNQCHAMC-UHFFFAOYSA-N 0 3 278.787 2.895 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CCO)CC1 ZINC000609823436 351521990 /nfs/dbraw/zinc/52/19/90/351521990.db2.gz DICNCNYSLIHZBW-ZDUSSCGKSA-N 0 3 258.365 2.714 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CCC2)C1 ZINC000609856406 351523044 /nfs/dbraw/zinc/52/30/44/351523044.db2.gz OTUPVAOPIZHSSY-HOCLYGCPSA-N 0 3 297.402 2.632 20 30 CFEDHN CC(C#N)C(=O)N1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000609920162 351528301 /nfs/dbraw/zinc/52/83/01/351528301.db2.gz OQNSZBAWXSLAES-ZIAGYGMSSA-N 0 3 297.402 2.588 20 30 CFEDHN Cc1ccoc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000610270875 351545939 /nfs/dbraw/zinc/54/59/39/351545939.db2.gz UDOCGLJKKIRPDQ-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN N#Cc1ccc(CNC2CCN(CC(F)F)CC2)c(F)c1 ZINC000610812840 351611433 /nfs/dbraw/zinc/61/14/33/351611433.db2.gz WFXXSKOWVIFKLJ-UHFFFAOYSA-N 0 3 297.324 2.516 20 30 CFEDHN C[C@@H](C[C@@H]1CCOC1)NCc1ccc(C#N)cc1F ZINC000610812776 351611598 /nfs/dbraw/zinc/61/15/98/351611598.db2.gz QLAZQLLGMZLYLT-AAEUAGOBSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1cc(C#N)cs1 ZINC000610488778 351569779 /nfs/dbraw/zinc/56/97/79/351569779.db2.gz SNCUKTMJAYBEIO-LRDDRELGSA-N 0 3 286.400 2.874 20 30 CFEDHN CC(C)N1CCC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000610488992 351569786 /nfs/dbraw/zinc/56/97/86/351569786.db2.gz KRSPBEFMXACTEZ-XJKSGUPXSA-N 0 3 285.391 2.608 20 30 CFEDHN CC(C)N1CCC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1=O ZINC000610488991 351570030 /nfs/dbraw/zinc/57/00/30/351570030.db2.gz KRSPBEFMXACTEZ-CZUORRHYSA-N 0 3 285.391 2.608 20 30 CFEDHN CC(C#N)C(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000610660601 351589418 /nfs/dbraw/zinc/58/94/18/351589418.db2.gz XMDZCBLYQJVDHX-JTQLQIEISA-N 0 3 296.292 2.866 20 30 CFEDHN COC[C@H](CC(C)C)NCc1ccc(C#N)cc1F ZINC000610812510 351610505 /nfs/dbraw/zinc/61/05/05/351610505.db2.gz IOSJRQXHXGROBM-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)Cn2cccn2)cc1 ZINC000271441620 191139208 /nfs/dbraw/zinc/13/92/08/191139208.db2.gz GRZYULVUZPWJCK-GJZGRUSLSA-N 0 3 283.375 2.634 20 30 CFEDHN CC(C)CNC(=O)C(C#N)c1ccc2ccccc2n1 ZINC000611158162 351645769 /nfs/dbraw/zinc/64/57/69/351645769.db2.gz IXLOUHNCBRPISA-CYBMUJFWSA-N 0 3 267.332 2.614 20 30 CFEDHN C[C@@H]1CCC[C@H](CCN2CCN(CCC#N)CC2)C1 ZINC000611175264 351646497 /nfs/dbraw/zinc/64/64/97/351646497.db2.gz ZDWHGBZZGRLWMN-HZPDHXFCSA-N 0 3 263.429 2.734 20 30 CFEDHN N#CCCN1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000611173622 351646590 /nfs/dbraw/zinc/64/65/90/351646590.db2.gz DDXCLAZUZSYRBC-KRWDZBQOSA-N 0 3 269.392 2.595 20 30 CFEDHN C[C@H]1COCCCN1Cc1cccc(OCCCC#N)c1 ZINC000611272392 351662663 /nfs/dbraw/zinc/66/26/63/351662663.db2.gz GRRCZMIJHJCWQR-HNNXBMFYSA-N 0 3 288.391 2.980 20 30 CFEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993820 351631550 /nfs/dbraw/zinc/63/15/50/351631550.db2.gz JODYFGJIKMMTER-ZBFHGGJFSA-N 0 3 273.380 2.589 20 30 CFEDHN CO[C@@]1(C)C[C@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993818 351631691 /nfs/dbraw/zinc/63/16/91/351631691.db2.gz JODYFGJIKMMTER-HOCLYGCPSA-N 0 3 273.380 2.589 20 30 CFEDHN COCCOC[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611394838 351682449 /nfs/dbraw/zinc/68/24/49/351682449.db2.gz JIDZEJPKTUDLQZ-GUYCJALGSA-N 0 3 288.391 2.577 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@H](c1ccccc1)N(C)C ZINC000611398969 351683011 /nfs/dbraw/zinc/68/30/11/351683011.db2.gz DYQWJZJWJCAFFI-MRXNPFEDSA-N 0 3 280.375 2.977 20 30 CFEDHN Cc1ccc(C#N)nc1NCCN1CCc2ccccc2C1 ZINC000611399016 351683386 /nfs/dbraw/zinc/68/33/86/351683386.db2.gz UWWGFAPTNPHFSV-UHFFFAOYSA-N 0 3 292.386 2.732 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000611431871 351688995 /nfs/dbraw/zinc/68/89/95/351688995.db2.gz DUFIYUZVKHISQW-ZACQAIPSSA-N 0 3 277.456 2.978 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)ccn1 ZINC000611350796 351673581 /nfs/dbraw/zinc/67/35/81/351673581.db2.gz SLHZHBMYHYCTKB-GDBMZVCRSA-N 0 3 285.391 2.592 20 30 CFEDHN CCN(Cc1cccc(C#N)c1F)C[C@H]1CCOC1 ZINC000611371136 351676423 /nfs/dbraw/zinc/67/64/23/351676423.db2.gz YBQHTOBRAGIPBX-GFCCVEGCSA-N 0 3 262.328 2.556 20 30 CFEDHN CC(=O)Nc1cccc(CN2CCC(CC#N)CC2)c1 ZINC000611687951 351723337 /nfs/dbraw/zinc/72/33/37/351723337.db2.gz CPHZCKMHHXTCBR-UHFFFAOYSA-N 0 3 271.364 2.771 20 30 CFEDHN C[C@@H](N[C@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000611588932 351712720 /nfs/dbraw/zinc/71/27/20/351712720.db2.gz BYQXTTJSTIUWOF-MFKMUULPSA-N 0 3 262.328 2.509 20 30 CFEDHN CCN(Cc1ccc(C#N)o1)[C@H]1CCOC(C)(C)C1 ZINC000291675241 198059611 /nfs/dbraw/zinc/05/96/11/198059611.db2.gz WRJDLKRHTQNPER-LBPRGKRZSA-N 0 3 262.353 2.931 20 30 CFEDHN N#Cc1cccc(CN[C@@H](CO)CC2CCCCC2)c1 ZINC000418126924 233781925 /nfs/dbraw/zinc/78/19/25/233781925.db2.gz MTAXXNIGGVVLFM-QGZVFWFLSA-N 0 3 272.392 2.979 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000612085722 351772445 /nfs/dbraw/zinc/77/24/45/351772445.db2.gz MXTFXPPOVRYMEF-GXSJLCMTSA-N 0 3 278.787 2.810 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCC[C@@](C)(C#N)C2)cc1 ZINC000612368920 351809707 /nfs/dbraw/zinc/80/97/07/351809707.db2.gz OUFLFUQAZZOKOH-KRWDZBQOSA-N 0 3 285.391 2.514 20 30 CFEDHN C[C@H](C#N)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612586554 351839815 /nfs/dbraw/zinc/83/98/15/351839815.db2.gz FSZJJMSWGBRSHO-GDBMZVCRSA-N 0 3 271.408 2.789 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NCC(C)(C)C#N)C1 ZINC000612587971 351840781 /nfs/dbraw/zinc/84/07/81/351840781.db2.gz JDHVLUJFQNOWFO-ZBFHGGJFSA-N 0 3 271.408 2.961 20 30 CFEDHN C#CCCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000291756845 198081675 /nfs/dbraw/zinc/08/16/75/198081675.db2.gz KXQVSWIBDFSOFX-GOSISDBHSA-N 0 3 287.403 2.854 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000123739264 187106637 /nfs/dbraw/zinc/10/66/37/187106637.db2.gz HEEGWWIECFSPTE-CJNGLKHVSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000123819069 187110614 /nfs/dbraw/zinc/11/06/14/187110614.db2.gz CCNQSJZWEPJZEO-KDCQFRKDSA-N 0 3 297.402 2.513 20 30 CFEDHN CN(C)C[C@@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N ZINC000613429946 351958214 /nfs/dbraw/zinc/95/82/14/351958214.db2.gz WUTYOWFMAJBOOE-AWEZNQCLSA-N 0 3 286.423 2.781 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000613490781 351969682 /nfs/dbraw/zinc/96/96/82/351969682.db2.gz XCDHMNPWJBEBDC-ZIAGYGMSSA-N 0 3 289.375 2.691 20 30 CFEDHN CCC#C[C@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000677951617 539830424 /nfs/dbraw/zinc/83/04/24/539830424.db2.gz QJOLCMUMKJTSPW-RDJZCZTQSA-N 0 3 279.424 2.838 20 30 CFEDHN COC(=O)[C@H](C)CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160735 352054151 /nfs/dbraw/zinc/05/41/51/352054151.db2.gz CLILLVYXMLHCLK-CYBMUJFWSA-N 0 3 288.391 2.729 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H](O)C1CC1 ZINC000614169688 352055978 /nfs/dbraw/zinc/05/59/78/352055978.db2.gz KYTQEZPSGZEYSE-INIZCTEOSA-N 0 3 272.392 2.690 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CCO)C1 ZINC000614963187 352137102 /nfs/dbraw/zinc/13/71/02/352137102.db2.gz OMRQWJYHUWMLGU-UONOGXRCSA-N 0 3 258.365 2.714 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@H](C(=O)N1CCCC1)C(C)C ZINC000614407346 352090625 /nfs/dbraw/zinc/09/06/25/352090625.db2.gz NEXFRECJANZZKV-KRWDZBQOSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C(C)COc1cc(CN(C)[C@H]2CCOC2)ccc1OC ZINC000132194672 187614101 /nfs/dbraw/zinc/61/41/01/187614101.db2.gz SNOXGZZKPOWKPS-HNNXBMFYSA-N 0 3 291.391 2.871 20 30 CFEDHN C=CCOCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000615727322 352236223 /nfs/dbraw/zinc/23/62/23/352236223.db2.gz JDIQGEWUFLAFKE-JLHYYAGUSA-N 0 3 276.336 2.790 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(F)(F)F)c1cccc(C#N)c1 ZINC000615795769 352243482 /nfs/dbraw/zinc/24/34/82/352243482.db2.gz RMIFJLPQFMLECC-CABZTGNLSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CC1CC1)C(C)C ZINC000616088452 352282917 /nfs/dbraw/zinc/28/29/17/352282917.db2.gz XFJXPBVEPNNGLM-MRXNPFEDSA-N 0 3 293.455 2.736 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000678049185 539859441 /nfs/dbraw/zinc/85/94/41/539859441.db2.gz GQGLGSBOBMERQD-QGZVFWFLSA-N 0 3 275.392 2.775 20 30 CFEDHN C=CCOCCNCc1cccc(OC)c1OC(F)F ZINC000312553918 539865006 /nfs/dbraw/zinc/86/50/06/539865006.db2.gz JMANENPVTFRQCW-UHFFFAOYSA-N 0 3 287.306 2.589 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617007540 352462482 /nfs/dbraw/zinc/46/24/82/352462482.db2.gz VJZGGAJBZJBRPA-LBPRGKRZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292078155 198154820 /nfs/dbraw/zinc/15/48/20/198154820.db2.gz CGACIVIEWSGXOI-APWZRJJASA-N 0 3 298.430 2.901 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@H](C)C1 ZINC000617043769 352478852 /nfs/dbraw/zinc/47/88/52/352478852.db2.gz DSJBBGJAMQJVHF-ZNMIVQPWSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN(Cc3cccs3)C2)nc1 ZINC000292081163 198156451 /nfs/dbraw/zinc/15/64/51/198156451.db2.gz DODRWXXOECBWMX-CYBMUJFWSA-N 0 3 285.372 2.668 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1CCOCC ZINC001098966674 781929847 /nfs/dbraw/zinc/92/98/47/781929847.db2.gz SIZKAXUOHJDXHR-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617344164 352545616 /nfs/dbraw/zinc/54/56/16/352545616.db2.gz BPFXSHWTMBVSLF-OLZOCXBDSA-N 0 3 252.402 2.578 20 30 CFEDHN COCC(C)(C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000292100826 198163103 /nfs/dbraw/zinc/16/31/03/198163103.db2.gz HXNQSPAKRLNUBZ-UHFFFAOYSA-N 0 3 250.317 2.554 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CO)CC(F)F ZINC000617585454 352599105 /nfs/dbraw/zinc/59/91/05/352599105.db2.gz HRAIMGNSKMMFKX-JSGCOSHPSA-N 0 3 280.318 2.541 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000617786164 352646598 /nfs/dbraw/zinc/64/65/98/352646598.db2.gz VFDUEBIZBSORGJ-CABCVRRESA-N 0 3 264.413 2.676 20 30 CFEDHN COc1ccc([C@@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000271617822 191242617 /nfs/dbraw/zinc/24/26/17/191242617.db2.gz COGKBPQUZSZEDE-FZKQIMNGSA-N 0 3 296.370 2.951 20 30 CFEDHN C[C@@H](NCCO[C@H]1CCCCO1)c1cccc(C#N)c1 ZINC000618302260 352751817 /nfs/dbraw/zinc/75/18/17/352751817.db2.gz QKDQGHOCSKPOSL-CJNGLKHVSA-N 0 3 274.364 2.752 20 30 CFEDHN CC[C@@H](N[C@@H](CC(C)C)C(=O)NC)c1ccc(C#N)cc1 ZINC000618574536 352815835 /nfs/dbraw/zinc/81/58/35/352815835.db2.gz BCBJSLRBAIGEOL-CVEARBPZSA-N 0 3 287.407 2.760 20 30 CFEDHN COC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000618593494 352827519 /nfs/dbraw/zinc/82/75/19/352827519.db2.gz VYXFKLOYCDINQS-INIZCTEOSA-N 0 3 286.375 2.784 20 30 CFEDHN Cc1cc(CN2CCCOC(C)(C)C2)ccc1C#N ZINC000618594547 352828143 /nfs/dbraw/zinc/82/81/43/352828143.db2.gz QZULLNKAAIGWCJ-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(C)ccc1OC ZINC000271646581 191257148 /nfs/dbraw/zinc/25/71/48/191257148.db2.gz IHERXNBGULIPPU-KBPBESRZSA-N 0 3 263.381 2.981 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618891005 352906540 /nfs/dbraw/zinc/90/65/40/352906540.db2.gz QIMQBUMDTFFOGL-AHIWAGSCSA-N 0 3 297.402 2.535 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618984128 352926903 /nfs/dbraw/zinc/92/69/03/352926903.db2.gz RUNOGRWBXIJENO-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618984125 352927014 /nfs/dbraw/zinc/92/70/14/352927014.db2.gz RUNOGRWBXIJENO-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618801807 352883309 /nfs/dbraw/zinc/88/33/09/352883309.db2.gz CEGTWJRNOHRGEN-QLJPJBMISA-N 0 3 266.348 2.928 20 30 CFEDHN C=CCC1(NC(=O)CC2CCN(C)CC2)CCCC1 ZINC000619110705 352956074 /nfs/dbraw/zinc/95/60/74/352956074.db2.gz HYHLRFGKSWEBEK-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1Cl ZINC000619755243 353064024 /nfs/dbraw/zinc/06/40/24/353064024.db2.gz DPINXODFIORJOY-GWCFXTLKSA-N 0 3 259.740 2.994 20 30 CFEDHN C[C@@H](CN1CCN(c2cccc(C#N)n2)CC1)C(C)(C)C ZINC000619845164 353068201 /nfs/dbraw/zinc/06/82/01/353068201.db2.gz ZQCPHXMQAWTYGQ-AWEZNQCLSA-N 0 3 286.423 2.757 20 30 CFEDHN CC(C)C[C@H](C)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000619621029 353040862 /nfs/dbraw/zinc/04/08/62/353040862.db2.gz MGIUAAULUVZUMG-JKSUJKDBSA-N 0 3 265.445 2.834 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000152742739 188040135 /nfs/dbraw/zinc/04/01/35/188040135.db2.gz FNVSCQMQOCZHIW-CJNGLKHVSA-N 0 3 277.795 2.927 20 30 CFEDHN C#CCSCCNCc1ccc(OC)c(OCC)c1 ZINC000152956917 188056274 /nfs/dbraw/zinc/05/62/74/188056274.db2.gz SUYTUUYVLBJVCK-UHFFFAOYSA-N 0 3 279.405 2.550 20 30 CFEDHN C=C[C@H](CC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000153651357 188094785 /nfs/dbraw/zinc/09/47/85/188094785.db2.gz ZAIDEVYLLKKRBT-MRXNPFEDSA-N 0 3 286.419 2.948 20 30 CFEDHN CCN(CC(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000153714863 188098480 /nfs/dbraw/zinc/09/84/80/188098480.db2.gz CYARJZMXNBYMLU-MRXNPFEDSA-N 0 3 285.391 2.641 20 30 CFEDHN CC1CCN(CCSc2cc(C#N)ccn2)CC1 ZINC000154239057 188130718 /nfs/dbraw/zinc/13/07/18/188130718.db2.gz ONJFWBBIHIJZLI-UHFFFAOYSA-N 0 3 261.394 2.777 20 30 CFEDHN C=C(C)CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000154384900 188138919 /nfs/dbraw/zinc/13/89/19/188138919.db2.gz PZRNGJPTDCHGKW-UHFFFAOYSA-N 0 3 272.348 2.800 20 30 CFEDHN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1cccc(C#N)c1 ZINC000292436424 198287873 /nfs/dbraw/zinc/28/78/73/198287873.db2.gz MGMANKFJJFPIJW-KBPBESRZSA-N 0 3 287.407 2.761 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000271676783 191271731 /nfs/dbraw/zinc/27/17/31/191271731.db2.gz OERKAGBTLAEJDT-JQWIXIFHSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCCC(C)(C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000620858677 353242444 /nfs/dbraw/zinc/24/24/44/353242444.db2.gz OGKJCYPFBQTJBF-CHWSQXEVSA-N 0 3 252.402 2.720 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccc(F)cc2)C12CCCC2 ZINC000292574785 198338352 /nfs/dbraw/zinc/33/83/52/198338352.db2.gz BXXUIOXSTAMSSH-MRXNPFEDSA-N 0 3 273.351 2.557 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000157816606 188339925 /nfs/dbraw/zinc/33/99/25/188339925.db2.gz LTFSMIJAOUIUAI-OAHLLOKOSA-N 0 3 290.363 2.756 20 30 CFEDHN C#CC[C@@H](NCCn1nc(C)cc1C)c1ccccc1 ZINC000271684497 191276495 /nfs/dbraw/zinc/27/64/95/191276495.db2.gz JBZOWNLFUYTZEV-QGZVFWFLSA-N 0 3 267.376 2.854 20 30 CFEDHN N#Cc1c(CN2CC[C@@H](O)C23CCCC3)cn2ccccc12 ZINC000292628971 198356572 /nfs/dbraw/zinc/35/65/72/198356572.db2.gz GQTZHPSAPFGXPT-QGZVFWFLSA-N 0 3 295.386 2.690 20 30 CFEDHN Cc1nc(N[C@H](C)C2=CCN(C)CC2)c(Cl)cc1C#N ZINC000292638334 198359745 /nfs/dbraw/zinc/35/97/45/198359745.db2.gz OMEHFCNTFZHHFU-SNVBAGLBSA-N 0 3 290.798 2.977 20 30 CFEDHN CN(CCc1nccs1)Cc1ccc(C#N)cc1 ZINC000158037900 188354326 /nfs/dbraw/zinc/35/43/26/188354326.db2.gz OWZMBIHFVWABNV-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(OCCOC)cc1 ZINC000158141362 188359863 /nfs/dbraw/zinc/35/98/63/188359863.db2.gz SXWIDSFXRQEJQI-UHFFFAOYSA-N 0 3 261.365 2.886 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](C)[C@@H](CO)C1 ZINC000621738508 353415273 /nfs/dbraw/zinc/41/52/73/353415273.db2.gz IGDCLAFHRQQNFO-GOEBONIOSA-N 0 3 275.392 2.702 20 30 CFEDHN C#CC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000271696427 191280949 /nfs/dbraw/zinc/28/09/49/191280949.db2.gz LOJZAAUVNBFZHM-IEBWSBKVSA-N 0 3 295.382 2.781 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623233206 353598520 /nfs/dbraw/zinc/59/85/20/353598520.db2.gz RNYHRVJOUYPIJI-ZENOOKHLSA-N 0 3 272.392 2.890 20 30 CFEDHN C=CCOc1c(Cl)cc(CNCC[C@H](C)O)cc1OC ZINC000623420222 353639819 /nfs/dbraw/zinc/63/98/19/353639819.db2.gz TYSBSSFLOSYUQD-NSHDSACASA-N 0 3 299.798 2.774 20 30 CFEDHN C=CCOc1c(Cl)cc(CN[C@@H](C)CCO)cc1OC ZINC000623426653 353640735 /nfs/dbraw/zinc/64/07/35/353640735.db2.gz VHPBNYWAPRBZLV-NSHDSACASA-N 0 3 299.798 2.774 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000623610495 353685815 /nfs/dbraw/zinc/68/58/15/353685815.db2.gz UOCGGPIAGJYIEE-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000623610498 353686107 /nfs/dbraw/zinc/68/61/07/353686107.db2.gz UOCGGPIAGJYIEE-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCOc1ccccc1CNCCN(C)CC(F)F ZINC000623830756 353733761 /nfs/dbraw/zinc/73/37/61/353733761.db2.gz ZJANLUBLVFHKGX-UHFFFAOYSA-N 0 3 284.350 2.538 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2nc(C)cs2)CC1 ZINC000623889388 353750519 /nfs/dbraw/zinc/75/05/19/353750519.db2.gz LYHDHOQXJJWNME-GFCCVEGCSA-N 0 3 265.426 2.753 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623990724 353777318 /nfs/dbraw/zinc/77/73/18/353777318.db2.gz KWBNDXUMIMNECG-ZFWWWQNUSA-N 0 3 279.428 2.657 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624152815 353820241 /nfs/dbraw/zinc/82/02/41/353820241.db2.gz KYKMCOHUSMRQKU-HNNXBMFYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624152816 353820338 /nfs/dbraw/zinc/82/03/38/353820338.db2.gz KYKMCOHUSMRQKU-OAHLLOKOSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316344 353860427 /nfs/dbraw/zinc/86/04/27/353860427.db2.gz OFXMJVUADAWXPX-BZUAXINKSA-N 0 3 291.439 2.611 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624545009 353903431 /nfs/dbraw/zinc/90/34/31/353903431.db2.gz LLKRUSXFSVVPOF-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCN(CCOC1CCOCC1)CCc1ccccc1 ZINC000625108669 353978174 /nfs/dbraw/zinc/97/81/74/353978174.db2.gz HHJGGBMKJOUURB-UHFFFAOYSA-N 0 3 289.419 2.913 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C(F)F)o2)CC1 ZINC000625320655 354020951 /nfs/dbraw/zinc/02/09/51/354020951.db2.gz DPOLACREQGHBOA-UHFFFAOYSA-N 0 3 284.306 2.597 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000625699508 354088345 /nfs/dbraw/zinc/08/83/45/354088345.db2.gz FQCKSZIFEUVITF-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCC[C@H](O)CNC(C)(C)c1ccc(OC)c(F)c1 ZINC000625855393 354128369 /nfs/dbraw/zinc/12/83/69/354128369.db2.gz UROARWHNAGNNHL-ZDUSSCGKSA-N 0 3 281.371 2.986 20 30 CFEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccc(OC)c(F)c1 ZINC000625855392 354128672 /nfs/dbraw/zinc/12/86/72/354128672.db2.gz UROARWHNAGNNHL-CYBMUJFWSA-N 0 3 281.371 2.986 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2cccc(C)c2)C1 ZINC000625701261 354089416 /nfs/dbraw/zinc/08/94/16/354089416.db2.gz POADKYGGTAWKLL-OAHLLOKOSA-N 0 3 272.392 2.509 20 30 CFEDHN C=C(C)CN1CCC(NCc2cnc(C3CC3)o2)CC1 ZINC000628212114 354479291 /nfs/dbraw/zinc/47/92/91/354479291.db2.gz KKEBSFXFFNCYRA-UHFFFAOYSA-N 0 3 275.396 2.682 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000628486312 354603700 /nfs/dbraw/zinc/60/37/00/354603700.db2.gz GFOCASXWWOPCMN-LJISPDSOSA-N 0 3 264.413 2.672 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC(=O)C1CCCC1 ZINC000628991791 354715202 /nfs/dbraw/zinc/71/52/02/354715202.db2.gz PWADGBRIGXBNJB-MRXNPFEDSA-N 0 3 298.386 2.634 20 30 CFEDHN C=CC(C)(C)CCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000629250926 354776214 /nfs/dbraw/zinc/77/62/14/354776214.db2.gz RFHOVMYHARLYEM-CYBMUJFWSA-N 0 3 264.344 2.544 20 30 CFEDHN C=CC(C)(C)CCN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000629250707 354776367 /nfs/dbraw/zinc/77/63/67/354776367.db2.gz CYHOWPDPNQSORZ-CQSZACIVSA-N 0 3 294.826 2.928 20 30 CFEDHN C=CCOCCNCc1cccc(OC)c1OC(C)C ZINC000679486677 540066203 /nfs/dbraw/zinc/06/62/03/540066203.db2.gz RASKEESNHPRJOZ-UHFFFAOYSA-N 0 3 279.380 2.775 20 30 CFEDHN COc1ccc(CN2CCC(C)(OC)CC2)cc1C#N ZINC000271784553 191323443 /nfs/dbraw/zinc/32/34/43/191323443.db2.gz SUXZETNCRWRTDC-UHFFFAOYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271786920 191327108 /nfs/dbraw/zinc/32/71/08/191327108.db2.gz LXOFKESVUHZYNX-JSGCOSHPSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000630854348 355200900 /nfs/dbraw/zinc/20/09/00/355200900.db2.gz DDYUNLWVZCJEIH-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN N#Cc1cccc(OCCN[C@@H](CCO)c2ccccc2)c1 ZINC000271816912 191344297 /nfs/dbraw/zinc/34/42/97/191344297.db2.gz VBSZBQFSTGEHKW-SFHVURJKSA-N 0 3 296.370 2.650 20 30 CFEDHN C[C@@H](NCCN(C)CC(F)(F)F)c1cccc(C#N)c1 ZINC000271866982 191377427 /nfs/dbraw/zinc/37/74/27/191377427.db2.gz LRDXYRQGIVQOPX-LLVKDONJSA-N 0 3 285.313 2.703 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000271868070 191379815 /nfs/dbraw/zinc/37/98/15/191379815.db2.gz LWAKHGIOECXMOP-JQHSSLGASA-N 0 3 297.398 2.746 20 30 CFEDHN C=CC[C@H](C)NCc1c(OC)cc(F)cc1OC ZINC000631075201 355276738 /nfs/dbraw/zinc/27/67/38/355276738.db2.gz OAFUUVVIOIJBLR-JTQLQIEISA-N 0 3 253.317 2.897 20 30 CFEDHN C=CCc1cc(CNCC(C)(C)F)cc(OC)c1O ZINC000631189744 355339129 /nfs/dbraw/zinc/33/91/29/355339129.db2.gz STKAYCKOAUAGDN-UHFFFAOYSA-N 0 3 267.344 2.967 20 30 CFEDHN C=CCc1cc(CN[C@@H]2C[C@H](C)O[C@H]2C)cc(OC)c1O ZINC000631221972 355358623 /nfs/dbraw/zinc/35/86/23/355358623.db2.gz KEDSRGKQBWABLU-SLEUVZQESA-N 0 3 291.391 2.785 20 30 CFEDHN C=CCC[C@H](C)NCc1c(Br)cnn1C ZINC000631685360 355547225 /nfs/dbraw/zinc/54/72/25/355547225.db2.gz SSTPQFBKCWWPLP-VIFPVBQESA-N 0 3 272.190 2.627 20 30 CFEDHN N#Cc1ccc(CN(C[C@H]2CCCO2)C2CC2)cc1 ZINC000194968051 283138560 /nfs/dbraw/zinc/13/85/60/283138560.db2.gz QWGZYCOBKPPOJL-MRXNPFEDSA-N 0 3 256.349 2.702 20 30 CFEDHN COc1ccccc1O[C@@H](C)CNCc1ccc(C#N)o1 ZINC000174607449 188909386 /nfs/dbraw/zinc/90/93/86/188909386.db2.gz GVIFULREDHRPMD-LBPRGKRZSA-N 0 3 286.331 2.717 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(OC)c1OC(C)C ZINC000680484459 540229961 /nfs/dbraw/zinc/22/99/61/540229961.db2.gz KDHNFVSBOKHJIL-CQSZACIVSA-N 0 3 279.380 2.509 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCC(=O)NC23CCC3)c1 ZINC000328757252 202042053 /nfs/dbraw/zinc/04/20/53/202042053.db2.gz UWYDGDMWUAPWHY-LBPRGKRZSA-N 0 3 275.377 2.751 20 30 CFEDHN C[C@H]1CCCN(CCNc2nc3c(cc2C#N)CCC3)C1 ZINC000328783703 202055336 /nfs/dbraw/zinc/05/53/36/202055336.db2.gz VJZPVFFSWIPNTA-ZDUSSCGKSA-N 0 3 284.407 2.586 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCO[C@@H]1C1CC1)CC2 ZINC000353262049 283199412 /nfs/dbraw/zinc/19/94/12/283199412.db2.gz HHXRKURGVUYNSI-BRWVUGGUSA-N 0 3 268.360 2.703 20 30 CFEDHN N#Cc1cccc(C#N)c1N1CCCN(C2CCCC2)CC1 ZINC000302907624 283202455 /nfs/dbraw/zinc/20/24/55/283202455.db2.gz XQTMASAURDOFJE-UHFFFAOYSA-N 0 3 294.402 2.885 20 30 CFEDHN N#Cc1ccccc1CN1CCCC12CCOCC2 ZINC000374292997 283214252 /nfs/dbraw/zinc/21/42/52/283214252.db2.gz ADWWLFOMGJNGCC-UHFFFAOYSA-N 0 3 256.349 2.703 20 30 CFEDHN N#Cc1cnc(N2CCCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000413136126 283231457 /nfs/dbraw/zinc/23/14/57/283231457.db2.gz NKYILRYDAGRBPK-AWEZNQCLSA-N 0 3 288.370 2.547 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000296100869 199784115 /nfs/dbraw/zinc/78/41/15/199784115.db2.gz RUIQJHKGBGIJKX-NXEZZACHSA-N 0 3 290.190 2.897 20 30 CFEDHN CC#CCN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000294618847 199109521 /nfs/dbraw/zinc/10/95/21/199109521.db2.gz RBDXNOGCPWNSIT-UHFFFAOYSA-N 0 3 298.430 2.770 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C3CCC3)cn2)CC1 ZINC000294715346 199147967 /nfs/dbraw/zinc/14/79/67/199147967.db2.gz KWHCBMGKAQZDNQ-UHFFFAOYSA-N 0 3 297.402 2.633 20 30 CFEDHN C=CCc1cc(CN[C@H]2CCOC2(C)C)cc(OC)c1O ZINC000294725441 199153087 /nfs/dbraw/zinc/15/30/87/199153087.db2.gz FVSHBKQMVFBDFF-HNNXBMFYSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000665940642 540468507 /nfs/dbraw/zinc/46/85/07/540468507.db2.gz IASOPCBRHKSQGT-KRWDZBQOSA-N 0 3 287.407 2.526 20 30 CFEDHN C=CC[C@H](CO)CNCc1nccc2ccccc21 ZINC000678731904 540475973 /nfs/dbraw/zinc/47/59/73/540475973.db2.gz ABHUCIGFWKMGDD-ZDUSSCGKSA-N 0 3 256.349 2.509 20 30 CFEDHN C=CCOCCN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000669703758 540517935 /nfs/dbraw/zinc/51/79/35/540517935.db2.gz AVVXRDIUNXZTPH-CYBMUJFWSA-N 0 3 263.385 2.851 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccccc1SC ZINC000669694418 540511420 /nfs/dbraw/zinc/51/14/20/540511420.db2.gz LOJGZUBKBKKNGD-YPMHNXCESA-N 0 3 251.395 2.996 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(C)(C)c2ccccc2)C1=O ZINC000671245697 540594957 /nfs/dbraw/zinc/59/49/57/540594957.db2.gz HAGFKBKZQKYVJM-OAHLLOKOSA-N 0 3 272.392 2.640 20 30 CFEDHN C[C@]12CCN(CCOc3cccc(C#N)c3)C[C@H]1C2(F)F ZINC000298281859 200382076 /nfs/dbraw/zinc/38/20/76/200382076.db2.gz ONPUBWJWPRDRKG-CABCVRRESA-N 0 3 292.329 2.914 20 30 CFEDHN C[C@H]1CCCCN1CCNCc1ccc(C#N)s1 ZINC000176947997 189016284 /nfs/dbraw/zinc/01/62/84/189016284.db2.gz KBTWWXIHFYUTMG-LBPRGKRZSA-N 0 3 263.410 2.584 20 30 CFEDHN CN(CCNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000176954024 189016756 /nfs/dbraw/zinc/01/67/56/189016756.db2.gz SDXSXZJDDONFIG-UHFFFAOYSA-N 0 3 285.416 2.841 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)ccc1F ZINC000177315364 189044036 /nfs/dbraw/zinc/04/40/36/189044036.db2.gz WLFOBJOKGOEHAB-CVEARBPZSA-N 0 3 287.382 2.756 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H]1COc2ccccc2O1 ZINC000683793206 540780460 /nfs/dbraw/zinc/78/04/60/540780460.db2.gz UHSDZYBNBLXNAY-UONOGXRCSA-N 0 3 259.349 2.867 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H](C)COC)cc1OC ZINC000179370326 189189894 /nfs/dbraw/zinc/18/98/94/189189894.db2.gz KAUYORLHXSMEQY-CYBMUJFWSA-N 0 3 279.380 2.727 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000684907639 540888801 /nfs/dbraw/zinc/88/88/01/540888801.db2.gz MWKOJDINIVPDPU-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000179704709 189215094 /nfs/dbraw/zinc/21/50/94/189215094.db2.gz XCHBZBJBVZHYPB-AWEZNQCLSA-N 0 3 296.370 2.953 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCN(CCC)C1 ZINC000389189723 540934472 /nfs/dbraw/zinc/93/44/72/540934472.db2.gz UNYNCCUAVWYAHQ-MRXNPFEDSA-N 0 3 274.408 2.825 20 30 CFEDHN C=CCCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179826140 189222720 /nfs/dbraw/zinc/22/27/20/189222720.db2.gz ZCIFQKCQVKVICG-LLVKDONJSA-N 0 3 285.384 2.846 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(OC)c2ccccc21 ZINC000180027286 189233149 /nfs/dbraw/zinc/23/31/49/189233149.db2.gz CCLPXJXOJXMVBN-CYBMUJFWSA-N 0 3 298.386 2.801 20 30 CFEDHN C=CCOCCNC/C=C\c1ccc(F)c(F)c1 ZINC000671718300 541058440 /nfs/dbraw/zinc/05/84/40/541058440.db2.gz JZYVKASXLHGJBG-ARJAWSKDSA-N 0 3 253.292 2.770 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)o1)c1cccc(Cl)c1 ZINC000185114008 189403937 /nfs/dbraw/zinc/40/39/37/189403937.db2.gz PLGYSXLQRYMZDS-HNNXBMFYSA-N 0 3 290.750 2.802 20 30 CFEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000425458068 239068555 /nfs/dbraw/zinc/06/85/55/239068555.db2.gz LXRYSYAYNRHOCD-HNNXBMFYSA-N 0 3 256.349 2.562 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)NC1CCCC1 ZINC000425529080 239089585 /nfs/dbraw/zinc/08/95/85/239089585.db2.gz AMAVOCVPJXAYIG-CQSZACIVSA-N 0 3 299.418 3.000 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC[C@H](C2CC2)N(C)C)c1 ZINC000302012323 201297406 /nfs/dbraw/zinc/29/74/06/201297406.db2.gz CZKMUEQHJMAQSH-MRXNPFEDSA-N 0 3 271.364 2.513 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc(C#N)nc1 ZINC000302186247 201387869 /nfs/dbraw/zinc/38/78/69/201387869.db2.gz VATIJROPSZSELQ-RDTXWAMCSA-N 0 3 292.386 2.886 20 30 CFEDHN C=CCC[C@H](CO)NCc1cscc1Br ZINC000320149959 541288902 /nfs/dbraw/zinc/28/89/02/541288902.db2.gz CRRIMARQWWKJON-SNVBAGLBSA-N 0 3 290.226 2.927 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](O)C2(C)C)c1 ZINC000189352288 189531142 /nfs/dbraw/zinc/53/11/42/189531142.db2.gz WOCRNWNLMMIPFZ-CABCVRRESA-N 0 3 261.365 2.500 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275666176 193099921 /nfs/dbraw/zinc/09/99/21/193099921.db2.gz YKRMFFBZBGCFHM-CVEARBPZSA-N 0 3 293.432 2.513 20 30 CFEDHN CC1(C)CCCN(CCNc2nc3ccccn3c2C#N)C1 ZINC000443961398 241097187 /nfs/dbraw/zinc/09/71/87/241097187.db2.gz PIGHRFRDTHUPKN-UHFFFAOYSA-N 0 3 297.406 2.740 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1OC ZINC000444778341 241194450 /nfs/dbraw/zinc/19/44/50/241194450.db2.gz TXLDIYXNAQXBBK-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN N#Cc1ccc2ncc(CN3C[C@@H](C4CC4)[C@H]3C3CC3)n2c1 ZINC000449533310 242010498 /nfs/dbraw/zinc/01/04/98/242010498.db2.gz FHPXMGBEPKYRHY-FUHWJXTLSA-N 0 3 292.386 2.826 20 30 CFEDHN CC1(C)CCCN1CCNCc1cc(C#N)cs1 ZINC000449783442 242162973 /nfs/dbraw/zinc/16/29/73/242162973.db2.gz PBRUBKZDDQCEIA-UHFFFAOYSA-N 0 3 263.410 2.584 20 30 CFEDHN C[C@H]1CCC(C)(C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000452005003 243011255 /nfs/dbraw/zinc/01/12/55/243011255.db2.gz ITWFJRZJBNETIX-LBPRGKRZSA-N 0 3 271.364 2.760 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](CCCO)C2)c(Cl)c1 ZINC000452116573 243052552 /nfs/dbraw/zinc/05/25/52/243052552.db2.gz GTOHANPAOPDWPL-LBPRGKRZSA-N 0 3 278.783 2.806 20 30 CFEDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cccc(C#N)c1 ZINC000452340894 243139459 /nfs/dbraw/zinc/13/94/59/243139459.db2.gz DOJXIRHKYJFKIE-KRWDZBQOSA-N 0 3 299.418 2.799 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000249130992 284068667 /nfs/dbraw/zinc/06/86/67/284068667.db2.gz UVKWWHMCBLAOLH-XJKCOSOUSA-N 0 3 286.375 2.750 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](O)C(C)(C)C2)c1 ZINC000276069410 193203732 /nfs/dbraw/zinc/20/37/32/193203732.db2.gz VZDHVEOPWKUQHJ-MRXNPFEDSA-N 0 3 275.392 2.844 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1sccc1C#N ZINC000330762824 203202791 /nfs/dbraw/zinc/20/27/91/203202791.db2.gz OHSHOKIIHRJCJB-CYBMUJFWSA-N 0 3 291.420 2.614 20 30 CFEDHN C=CCCN(C)C(=O)Nc1ccccc1CCN(C)C ZINC000276088649 193210938 /nfs/dbraw/zinc/21/09/38/193210938.db2.gz PJBMKYIGCJYOTB-UHFFFAOYSA-N 0 3 275.396 2.831 20 30 CFEDHN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(C#N)cc1 ZINC000414294810 296155143 /nfs/dbraw/zinc/15/51/43/296155143.db2.gz FASLYIYSOWXVJP-HONMWMINSA-N 0 3 280.318 2.758 20 30 CFEDHN CCC#C[C@H](C)N1CCC(c2nnc3ccccn32)CC1 ZINC000677048264 541813523 /nfs/dbraw/zinc/81/35/23/541813523.db2.gz SRWCXUQPRMNPSV-AWEZNQCLSA-N 0 3 282.391 2.711 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(Br)cc1 ZINC000677047397 541813597 /nfs/dbraw/zinc/81/35/97/541813597.db2.gz ZEGUFNAEZJOTHG-ZDUSSCGKSA-N 0 3 284.197 2.818 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000459764391 245312503 /nfs/dbraw/zinc/31/25/03/245312503.db2.gz OKUDKIOPJYQKEL-CABCVRRESA-N 0 3 274.339 2.745 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC000459795432 245329849 /nfs/dbraw/zinc/32/98/49/245329849.db2.gz VGEROJQWDHQLTM-LSDHHAIUSA-N 0 3 256.349 2.605 20 30 CFEDHN COc1ccc(CNCc2cccc(C#N)c2)cc1OC ZINC000011037646 371916479 /nfs/dbraw/zinc/91/64/79/371916479.db2.gz SNGCDOICEHJTSL-UHFFFAOYSA-N 0 3 282.343 2.865 20 30 CFEDHN COCC#CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000677480268 541865703 /nfs/dbraw/zinc/86/57/03/541865703.db2.gz WFKZXNWUBUXDKC-MRXNPFEDSA-N 0 3 261.340 2.906 20 30 CFEDHN COCC#CCN(C1CC1)[C@H]1CCc2ccccc21 ZINC000677479538 541865846 /nfs/dbraw/zinc/86/58/46/541865846.db2.gz OPULJDHXMMSSMX-KRWDZBQOSA-N 0 3 255.361 2.788 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCCOc1ccccc1C ZINC000677477353 541864742 /nfs/dbraw/zinc/86/47/42/541864742.db2.gz DHNZWPSFZHTHQG-HNNXBMFYSA-N 0 3 263.381 2.633 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)/C=C/c1cccc(C#N)c1 ZINC000027768318 372349301 /nfs/dbraw/zinc/34/93/01/372349301.db2.gz YOSUOOBKMQHWNO-XVJNWHFHSA-N 0 3 297.402 2.562 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](SCC)C(C)C)CC1 ZINC000106034646 261320222 /nfs/dbraw/zinc/32/02/22/261320222.db2.gz ASGJPIVJEOTQRW-HNNXBMFYSA-N 0 3 298.496 2.921 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2Cc3ccccc3O2)cc1 ZINC000037996864 372756854 /nfs/dbraw/zinc/75/68/54/372756854.db2.gz SXEBKMUSCOAGMC-MRXNPFEDSA-N 0 3 264.328 2.652 20 30 CFEDHN CC(=O)Nc1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041493631 372843202 /nfs/dbraw/zinc/84/32/02/372843202.db2.gz CHUZWCDWGGFLDW-CQSZACIVSA-N 0 3 279.299 2.530 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000042247614 372896047 /nfs/dbraw/zinc/89/60/47/372896047.db2.gz XIYHHKXRTKTWCR-KKUMJFAQSA-N 0 3 264.413 2.553 20 30 CFEDHN Cc1ccccc1[C@@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000263741689 383686584 /nfs/dbraw/zinc/68/65/84/383686584.db2.gz RMHLJMVCBDORPB-JKSUJKDBSA-N 0 3 299.418 2.545 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000431636986 383686614 /nfs/dbraw/zinc/68/66/14/383686614.db2.gz XWPCRKKMJRTVEU-JCGIZDLHSA-N 0 3 298.430 2.803 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2C)C1 ZINC000263755273 383686718 /nfs/dbraw/zinc/68/67/18/383686718.db2.gz TXNZQHKUTRJEGX-MRXNPFEDSA-N 0 3 299.418 2.547 20 30 CFEDHN Cc1ccccc1[C@H]1CCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000263741676 383687133 /nfs/dbraw/zinc/68/71/33/383687133.db2.gz RMHLJMVCBDORPB-HOTGVXAUSA-N 0 3 299.418 2.545 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@@H](C)OC)cc1OC ZINC000289835354 197500942 /nfs/dbraw/zinc/50/09/42/197500942.db2.gz OOTWLQTXDIFYLS-CHWSQXEVSA-N 0 3 279.380 2.773 20 30 CFEDHN CC(C)N(CC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000047861632 373122254 /nfs/dbraw/zinc/12/22/54/373122254.db2.gz JUJCTSAPWSBKEQ-UHFFFAOYSA-N 0 3 271.364 2.617 20 30 CFEDHN COc1ccc(OCCNCc2ccc(C#N)cc2)cc1 ZINC000052685539 373448312 /nfs/dbraw/zinc/44/83/12/373448312.db2.gz VGQUDSHURNPRML-UHFFFAOYSA-N 0 3 282.343 2.735 20 30 CFEDHN CC(C)N(CCn1cccn1)Cc1ccc(C#N)cc1 ZINC000063750363 373814916 /nfs/dbraw/zinc/81/49/16/373814916.db2.gz RNEMQFOEXCJJAL-UHFFFAOYSA-N 0 3 268.364 2.665 20 30 CFEDHN CN(C(=O)c1cccc(CN2CCCC2)c1)C1(C#N)CCC1 ZINC000066321537 373924931 /nfs/dbraw/zinc/92/49/31/373924931.db2.gz PPXQMGHEJWRCAJ-UHFFFAOYSA-N 0 3 297.402 2.801 20 30 CFEDHN OC[C@H](NCC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000289524991 197388204 /nfs/dbraw/zinc/38/82/04/197388204.db2.gz MPTHAAQKLLXLDC-INIZCTEOSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000645416453 383697540 /nfs/dbraw/zinc/69/75/40/383697540.db2.gz QOEBLUVGRDAYHU-LSDHHAIUSA-N 0 3 281.444 2.857 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000677802781 541907161 /nfs/dbraw/zinc/90/71/61/541907161.db2.gz ZDZFAMQXYOBCFB-QZTJIDSGSA-N 0 3 289.419 2.647 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)CC#CCOC)C1(CC)CC ZINC000677818517 541909745 /nfs/dbraw/zinc/90/97/45/541909745.db2.gz ARQSASOYPNSOPR-HUUCEWRRSA-N 0 3 267.413 2.552 20 30 CFEDHN CCN(CC#CCOC)[C@H](C)Cc1ccc(OC)cc1 ZINC000677818230 541910358 /nfs/dbraw/zinc/91/03/58/541910358.db2.gz XFOJDYDLEDYDIH-OAHLLOKOSA-N 0 3 275.392 2.598 20 30 CFEDHN CC[C@H](Cc1ccc(C)cc1)N(C)CC#CCOC ZINC000677820112 541911192 /nfs/dbraw/zinc/91/11/92/541911192.db2.gz GNUQTWNZYYEFNT-QGZVFWFLSA-N 0 3 259.393 2.898 20 30 CFEDHN N#CCSCCCN1CCC(C(F)(F)F)CC1 ZINC000074991831 374454745 /nfs/dbraw/zinc/45/47/45/374454745.db2.gz SJFDFTYNEYDEIC-UHFFFAOYSA-N 0 3 266.332 2.908 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(OCCc2ccccc2)CC1 ZINC000678050018 541942127 /nfs/dbraw/zinc/94/21/27/541942127.db2.gz SZBILHKQFWWZTG-SFHVURJKSA-N 0 3 289.419 2.647 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000678049976 541942372 /nfs/dbraw/zinc/94/23/72/541942372.db2.gz RPBRPLJSSGFDKK-OCCSQVGLSA-N 0 3 272.396 2.663 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000076068866 374528435 /nfs/dbraw/zinc/52/84/35/374528435.db2.gz LQNMAUCPDODXSN-HUUCEWRRSA-N 0 3 296.480 2.793 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@](C)(CCC)C1 ZINC000076145824 374538086 /nfs/dbraw/zinc/53/80/86/374538086.db2.gz OCOUWHYWLMXMOP-ZFWWWQNUSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](CC)C2)CC1 ZINC000077582117 374564859 /nfs/dbraw/zinc/56/48/59/374564859.db2.gz PSHSEZNDIMCLNE-ZBFHGGJFSA-N 0 3 293.455 2.905 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)C#N ZINC000076388656 374550091 /nfs/dbraw/zinc/55/00/91/374550091.db2.gz XXBIPZVJVWCWDD-HNNXBMFYSA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000076734853 374556492 /nfs/dbraw/zinc/55/64/92/374556492.db2.gz CQEPXTNABKSOEK-KFWWJZLASA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCCCN(C)CC[S@@](=O)c1ccccc1 ZINC000076738449 374557304 /nfs/dbraw/zinc/55/73/04/374557304.db2.gz PVDHVVVCTNQVLD-KRWDZBQOSA-N 0 3 251.395 2.692 20 30 CFEDHN CCN(CC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000076673714 374557515 /nfs/dbraw/zinc/55/75/15/374557515.db2.gz OIPCBLCXPPRTCT-NPCAHTBFSA-N 0 3 279.428 2.648 20 30 CFEDHN COc1ccc(CN(C)[C@H]2CCSC2)cc1C#N ZINC000087833150 374831025 /nfs/dbraw/zinc/83/10/25/374831025.db2.gz RDNNORFODONKJU-ZDUSSCGKSA-N 0 3 262.378 2.504 20 30 CFEDHN CN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CCCN(C)C1 ZINC000088058161 374833702 /nfs/dbraw/zinc/83/37/02/374833702.db2.gz ZZVJBJYYGYQHJV-NSHDSACASA-N 0 3 298.312 2.502 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000090016732 374985971 /nfs/dbraw/zinc/98/59/71/374985971.db2.gz DWIUKBSGVVLJTQ-CVEARBPZSA-N 0 3 293.432 2.861 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000451787687 383706768 /nfs/dbraw/zinc/70/67/68/383706768.db2.gz JUJKPFYDJVSXLR-HIFRSBDPSA-N 0 3 290.338 2.519 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@H](CO)CC(C)(C)C ZINC000451788835 383707963 /nfs/dbraw/zinc/70/79/63/383707963.db2.gz ZVFXTTIHXUTACK-AWEZNQCLSA-N 0 3 278.371 2.926 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420940490 296232543 /nfs/dbraw/zinc/23/25/43/296232543.db2.gz MWBOIRXKQHLEBN-VNHYZAJKSA-N 0 3 258.365 2.570 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000102342510 375670879 /nfs/dbraw/zinc/67/08/79/375670879.db2.gz NUDUUAZEVZJQFS-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000102342433 375671355 /nfs/dbraw/zinc/67/13/55/375671355.db2.gz PPALOPBSOVSOMD-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000102342497 375671427 /nfs/dbraw/zinc/67/14/27/375671427.db2.gz KMOJZKOBXFSECM-UHFFFAOYSA-N 0 3 296.361 2.821 20 30 CFEDHN CCc1nc(CCNCc2cccc(C#N)c2)cs1 ZINC000102431425 375675359 /nfs/dbraw/zinc/67/53/59/375675359.db2.gz ZXBABAPSZDWCSW-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000103480050 375750656 /nfs/dbraw/zinc/75/06/56/375750656.db2.gz BZUFEINFHUVFKU-CQSZACIVSA-N 0 3 277.343 2.598 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@@H](NCc2ccccn2)C1 ZINC000109077639 375820067 /nfs/dbraw/zinc/82/00/67/375820067.db2.gz WZQRLJWMCOAWLT-QGZVFWFLSA-N 0 3 292.386 2.712 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000111420676 375846514 /nfs/dbraw/zinc/84/65/14/375846514.db2.gz QNMJHOJNMCFSHN-OAHLLOKOSA-N 0 3 286.379 2.554 20 30 CFEDHN C[C@@H](NCCOCC(F)(F)F)c1cccc(C#N)c1 ZINC000111636784 375859546 /nfs/dbraw/zinc/85/95/46/375859546.db2.gz SWMCBCHFMNPBBB-SNVBAGLBSA-N 0 3 272.270 2.788 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1ccncc1F)C(C)C ZINC000678788773 542069890 /nfs/dbraw/zinc/06/98/90/542069890.db2.gz NTIUVCRKULRDOC-MRXNPFEDSA-N 0 3 277.387 2.753 20 30 CFEDHN C[C@H]1SCCN(CCOc2ccc(C#N)cc2)[C@@H]1C ZINC000112643769 375940516 /nfs/dbraw/zinc/94/05/16/375940516.db2.gz JUYPATSSWHUPPY-CHWSQXEVSA-N 0 3 276.405 2.763 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C(C)C)CC1 ZINC000114729703 376085240 /nfs/dbraw/zinc/08/52/40/376085240.db2.gz WHMKLZUZBPXSJX-CVEARBPZSA-N 0 3 293.455 2.753 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115554213 376136765 /nfs/dbraw/zinc/13/67/65/376136765.db2.gz KEYPSYXIGVAGHY-HLLBOEOZSA-N 0 3 299.418 2.625 20 30 CFEDHN C[C@@H]1CCC[C@H](CCN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115602333 376143481 /nfs/dbraw/zinc/14/34/81/376143481.db2.gz URZNFVWTZGUEIU-CPUCHLNUSA-N 0 3 299.418 2.891 20 30 CFEDHN C=CC[C@@H](C)NCc1ccc(OC)c(OC)c1OC ZINC000116927456 376216493 /nfs/dbraw/zinc/21/64/93/376216493.db2.gz BYUGPOSYCQNPLM-LLVKDONJSA-N 0 3 265.353 2.767 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(CC2CC2)CC1 ZINC000118393786 376290798 /nfs/dbraw/zinc/29/07/98/376290798.db2.gz RNWKZFVFMMBGCN-CQSZACIVSA-N 0 3 269.392 2.647 20 30 CFEDHN CCCNC(=O)[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395333 376290987 /nfs/dbraw/zinc/29/09/87/376290987.db2.gz HDIQYISYADBRON-YOEHRIQHSA-N 0 3 299.418 2.857 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000118397750 376292868 /nfs/dbraw/zinc/29/28/68/376292868.db2.gz YKMFHJDLBRLRRC-BBRMVZONSA-N 0 3 281.363 2.548 20 30 CFEDHN C=C(C)CNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000119660849 376448397 /nfs/dbraw/zinc/44/83/97/376448397.db2.gz MLSYYSCIKNDCRG-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@@H]1CCCO1 ZINC000119753418 376466060 /nfs/dbraw/zinc/46/60/60/376466060.db2.gz GHJSNUQKEPSSAH-OLZOCXBDSA-N 0 3 250.367 2.667 20 30 CFEDHN N#Cc1cnc(NC[C@@H](c2ccccc2)N2CCCC2)cn1 ZINC000120576277 376645427 /nfs/dbraw/zinc/64/54/27/376645427.db2.gz FRCQHUXREFOVKU-INIZCTEOSA-N 0 3 293.374 2.597 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)CC)CC1 ZINC000120619876 376653828 /nfs/dbraw/zinc/65/38/28/376653828.db2.gz HYZQDURAKKPNFM-UHFFFAOYSA-N 0 3 267.417 2.515 20 30 CFEDHN CCOC[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120972843 376733833 /nfs/dbraw/zinc/73/38/33/376733833.db2.gz ZHQBOFIQVHOGNI-HNNXBMFYSA-N 0 3 288.391 2.815 20 30 CFEDHN C=CCC[C@H](O)CN(CC)Cc1cccc(F)c1 ZINC000121322289 376805360 /nfs/dbraw/zinc/80/53/60/376805360.db2.gz WAIBOURUGMLHBS-HNNXBMFYSA-N 0 3 251.345 2.975 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000121408040 376825811 /nfs/dbraw/zinc/82/58/11/376825811.db2.gz UGYRHCODCLROMG-HNNXBMFYSA-N 0 3 297.402 2.613 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)C1CCC(CO)CC1 ZINC000121513499 376848845 /nfs/dbraw/zinc/84/88/45/376848845.db2.gz NFJGWUSDJCNBCO-UHFFFAOYSA-N 0 3 288.391 2.550 20 30 CFEDHN CCOC[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121656463 376877794 /nfs/dbraw/zinc/87/77/94/376877794.db2.gz SGTDGBWVNMBHJX-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000121713355 376888431 /nfs/dbraw/zinc/88/84/31/376888431.db2.gz RLTUATJJTACROE-INIZCTEOSA-N 0 3 297.402 2.567 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccccc2)CC1 ZINC000123429000 376954380 /nfs/dbraw/zinc/95/43/80/376954380.db2.gz ABYNFKCOILIGNF-OAHLLOKOSA-N 0 3 286.419 2.947 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CC)C1 ZINC000125238300 377131621 /nfs/dbraw/zinc/13/16/21/377131621.db2.gz XAMHZBQTFZGIMV-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCOc1cccc(CN(CCCCO)C2CC2)c1 ZINC000125688075 377184769 /nfs/dbraw/zinc/18/47/69/377184769.db2.gz KKSLQLQYGPNGIP-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN N#Cc1cccc(CNCc2c[nH]nc2-c2cccnc2)c1 ZINC000127322503 377275185 /nfs/dbraw/zinc/27/51/85/377275185.db2.gz IYANIXLVJGOOJU-UHFFFAOYSA-N 0 3 289.342 2.633 20 30 CFEDHN CN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCC(C)(C)CC1 ZINC000127600187 377290733 /nfs/dbraw/zinc/29/07/33/377290733.db2.gz UEAUZQMRQYUFSC-KRWDZBQOSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCCCN1CC ZINC000432092197 383721034 /nfs/dbraw/zinc/72/10/34/383721034.db2.gz HLBYUXDZWBWLDA-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C[C@H](C[C@H](O)c1ccccc1)NCc1ccc(C#N)o1 ZINC000129943012 377491528 /nfs/dbraw/zinc/49/15/28/377491528.db2.gz QTOMBWQBOUBYNV-WBMJQRKESA-N 0 3 270.332 2.753 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000451831063 383721113 /nfs/dbraw/zinc/72/11/13/383721113.db2.gz ZIGHUXALUGMUAN-OAHLLOKOSA-N 0 3 296.418 2.727 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCc1ccc(Cl)cc1 ZINC000679327333 542168201 /nfs/dbraw/zinc/16/82/01/542168201.db2.gz HYILFCCDGVKWCT-CQSZACIVSA-N 0 3 253.773 2.751 20 30 CFEDHN C=C[C@H](C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000130444956 377558665 /nfs/dbraw/zinc/55/86/65/377558665.db2.gz MPHJHENZNQXUNX-QMMMGPOBSA-N 0 3 286.169 2.827 20 30 CFEDHN COc1ccc(C#N)cc1CN(CCO)C1CCCCC1 ZINC000130438113 377558766 /nfs/dbraw/zinc/55/87/66/377558766.db2.gz HAOQJCLNKJMEAJ-UHFFFAOYSA-N 0 3 288.391 2.694 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC=CCC1)C(C)C ZINC000679371737 542182300 /nfs/dbraw/zinc/18/23/00/542182300.db2.gz JDORHBMAXORYSD-MRXNPFEDSA-N 0 3 291.439 2.657 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000131355122 377699961 /nfs/dbraw/zinc/69/99/61/377699961.db2.gz CPTDTRNTIFKUCM-CQSZACIVSA-N 0 3 285.391 2.865 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)[C@H]1CCOC1 ZINC000132076027 377800634 /nfs/dbraw/zinc/80/06/34/377800634.db2.gz MINYGECDQUJCPA-HNNXBMFYSA-N 0 3 274.364 2.590 20 30 CFEDHN C=CCC[C@@H](O)CN1CCCC[C@H]1c1cccn1C ZINC000132861460 377883846 /nfs/dbraw/zinc/88/38/46/377883846.db2.gz ZLEHPNWOZJVOST-ZBFHGGJFSA-N 0 3 262.397 2.879 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@H](CO)C(C)(C)C ZINC000134426663 378013680 /nfs/dbraw/zinc/01/36/80/378013680.db2.gz QHKDXJMILREGMJ-CQSZACIVSA-N 0 3 264.344 2.536 20 30 CFEDHN C=CCC[C@@H](NC(=O)NCCN(C)C)c1ccccc1 ZINC000133917285 377967754 /nfs/dbraw/zinc/96/77/54/377967754.db2.gz ZYCNWUCSQGORCU-OAHLLOKOSA-N 0 3 275.396 2.555 20 30 CFEDHN N#CCCCN(CCCO)Cc1cccc(Cl)c1 ZINC000134294619 377999455 /nfs/dbraw/zinc/99/94/55/377999455.db2.gz GCDBLUDYRCAFOA-UHFFFAOYSA-N 0 3 266.772 2.828 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@@H](CO)C1 ZINC000135096242 378081038 /nfs/dbraw/zinc/08/10/38/378081038.db2.gz RIBONEYOBHPVFR-CQSZACIVSA-N 0 3 272.392 2.692 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1CCC(C)C ZINC000135303004 378114117 /nfs/dbraw/zinc/11/41/17/378114117.db2.gz GTIATBZMZCVTSX-HNNXBMFYSA-N 0 3 279.428 2.649 20 30 CFEDHN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(CCCC#N)C1 ZINC000135476756 378137903 /nfs/dbraw/zinc/13/79/03/378137903.db2.gz QHDRPSHVKGESTL-HOTGVXAUSA-N 0 3 286.375 2.569 20 30 CFEDHN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(CCCC#N)C1 ZINC000135476736 378138423 /nfs/dbraw/zinc/13/84/23/378138423.db2.gz QHDRPSHVKGESTL-JKSUJKDBSA-N 0 3 286.375 2.569 20 30 CFEDHN COc1ccc(CN2C[C@H]3CCC[C@@H]3C2)cc1C#N ZINC000135143577 378089949 /nfs/dbraw/zinc/08/99/49/378089949.db2.gz LNKVGXWAMUTEJM-ZIAGYGMSSA-N 0 3 256.349 2.799 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000148079011 378255262 /nfs/dbraw/zinc/25/52/62/378255262.db2.gz CUDDOGQQVBTQJA-BPLDGKMQSA-N 0 3 283.375 2.617 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328701801 378416804 /nfs/dbraw/zinc/41/68/04/378416804.db2.gz NMPWGIPHBMIINW-CHWSQXEVSA-N 0 3 293.411 2.859 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)NCCN2CCCCCC2)CC(=O)N1 ZINC000329347713 378456798 /nfs/dbraw/zinc/45/67/98/378456798.db2.gz RXWZXFYJIBNNRY-OLZOCXBDSA-N 0 3 281.400 2.574 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000328767244 378422236 /nfs/dbraw/zinc/42/22/36/378422236.db2.gz HMXIZHDYAIKWPX-QWHCGFSZSA-N 0 3 281.400 2.574 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153268449 378484749 /nfs/dbraw/zinc/48/47/49/378484749.db2.gz PKPSDIUZRXUVRW-KFWWJZLASA-N 0 3 264.413 2.531 20 30 CFEDHN Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329715951 378485450 /nfs/dbraw/zinc/48/54/50/378485450.db2.gz VSORSGDPQDVZSK-NSHDSACASA-N 0 3 290.411 2.797 20 30 CFEDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329715951 378485452 /nfs/dbraw/zinc/48/54/52/378485452.db2.gz VSORSGDPQDVZSK-NSHDSACASA-N 0 3 290.411 2.797 20 30 CFEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)CCN1CC(F)F ZINC000153530570 378496862 /nfs/dbraw/zinc/49/68/62/378496862.db2.gz RMUWCJUUKHCMPN-CYBMUJFWSA-N 0 3 287.398 2.978 20 30 CFEDHN Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)n1 ZINC000329797609 378498258 /nfs/dbraw/zinc/49/82/58/378498258.db2.gz FTICXHRGPQLXLZ-WDBKCZKBSA-N 0 3 290.411 2.500 20 30 CFEDHN CCN(CC(C)C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000153745510 378508076 /nfs/dbraw/zinc/50/80/76/378508076.db2.gz BOQLTZOYWQAPDU-AWEZNQCLSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1noc(C)c1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000330564506 378585236 /nfs/dbraw/zinc/58/52/36/378585236.db2.gz BJEJZWKZETYYBV-UHFFFAOYSA-N 0 3 294.399 2.882 20 30 CFEDHN CCOC(=O)N[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000154026979 378532274 /nfs/dbraw/zinc/53/22/74/378532274.db2.gz AGRVXAZWCWSMTP-ZDUSSCGKSA-N 0 3 281.400 2.527 20 30 CFEDHN C#CCN(Cc1cc2ccccc2[nH]c1=O)C1CCCC1 ZINC000155746637 378632549 /nfs/dbraw/zinc/63/25/49/378632549.db2.gz FUIIJSYOPCSJPD-UHFFFAOYSA-N 0 3 280.371 2.906 20 30 CFEDHN COC(=O)CC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000331096777 378632867 /nfs/dbraw/zinc/63/28/67/378632867.db2.gz CHXLHJFCWOWVED-UHFFFAOYSA-N 0 3 286.375 2.642 20 30 CFEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330948932 378603541 /nfs/dbraw/zinc/60/35/41/378603541.db2.gz NECDAKYTZXPOBR-DOMZBBRYSA-N 0 3 271.364 2.617 20 30 CFEDHN CC[C@]1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000330999593 378612112 /nfs/dbraw/zinc/61/21/12/378612112.db2.gz PTQPWBSBXKNWDL-FUHWJXTLSA-N 0 3 295.386 2.889 20 30 CFEDHN COCCN(Cc1ccc(C#N)cn1)[C@H]1CCC[C@@H]1C ZINC000571816173 383730477 /nfs/dbraw/zinc/73/04/77/383730477.db2.gz RTABSTKKCZKLMX-BBRMVZONSA-N 0 3 273.380 2.590 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000155394542 378625855 /nfs/dbraw/zinc/62/58/55/378625855.db2.gz MARHLVSMKNAUCV-LBPRGKRZSA-N 0 3 287.344 2.706 20 30 CFEDHN Cc1cc(CNC[C@H](O)C2CCCCC2)ccc1C#N ZINC000331265347 378661232 /nfs/dbraw/zinc/66/12/32/378661232.db2.gz BLAJNSYHRFEWER-KRWDZBQOSA-N 0 3 272.392 2.898 20 30 CFEDHN C#CCOc1ccccc1CNCC(C)(C)OCC ZINC000159254059 378698320 /nfs/dbraw/zinc/69/83/20/378698320.db2.gz NTXWJGDGXMDVAZ-UHFFFAOYSA-N 0 3 261.365 2.603 20 30 CFEDHN C=C(C)CN(CC)Cc1cc(OC)c2c(c1)OCCO2 ZINC000158994684 378680343 /nfs/dbraw/zinc/68/03/43/378680343.db2.gz ZFXABCHODWKTOO-UHFFFAOYSA-N 0 3 277.364 2.864 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000160119923 378750533 /nfs/dbraw/zinc/75/05/33/378750533.db2.gz ABKZPMKLXGZYOX-VIFPVBQESA-N 0 3 293.298 2.976 20 30 CFEDHN CCC(CC)(CNCc1cccc(C#N)c1)C(=O)OC ZINC000159648812 378722839 /nfs/dbraw/zinc/72/28/39/378722839.db2.gz KIXHYHHZASYWOA-UHFFFAOYSA-N 0 3 274.364 2.627 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000161133504 378824882 /nfs/dbraw/zinc/82/48/82/378824882.db2.gz RCMWWZQHXDNGGW-INIZCTEOSA-N 0 3 287.407 2.651 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)ccc2C#N)CC1 ZINC000161308455 378837711 /nfs/dbraw/zinc/83/77/11/378837711.db2.gz LABNFSFHXBULKL-UHFFFAOYSA-N 0 3 270.380 2.714 20 30 CFEDHN CC(C)[C@@H](CCO)NCC#Cc1cccc(Cl)c1 ZINC000161920253 378880639 /nfs/dbraw/zinc/88/06/39/378880639.db2.gz KNTINQKGFSYBNJ-OAHLLOKOSA-N 0 3 265.784 2.688 20 30 CFEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000162817302 378936573 /nfs/dbraw/zinc/93/65/73/378936573.db2.gz UYDQDZRQNQNHHP-TZMCWYRMSA-N 0 3 263.768 2.706 20 30 CFEDHN Cn1nccc1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000334200772 378917787 /nfs/dbraw/zinc/91/77/87/378917787.db2.gz NKXYXORCZXTYJL-MRXNPFEDSA-N 0 3 280.375 2.671 20 30 CFEDHN COC1(C)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000334303842 379062701 /nfs/dbraw/zinc/06/27/01/379062701.db2.gz FWPUAOMETHHTLV-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN CC#CCCNCc1cc(Br)cc2c1OCC2 ZINC000168278498 379082835 /nfs/dbraw/zinc/08/28/35/379082835.db2.gz QZNVMLIORMHYQF-UHFFFAOYSA-N 0 3 294.192 2.887 20 30 CFEDHN COc1ccc(C[C@H](C)NCC(C)(C)C#N)cc1OC ZINC000169279511 379105576 /nfs/dbraw/zinc/10/55/76/379105576.db2.gz ANNHOJVXKCKJJE-LBPRGKRZSA-N 0 3 276.380 2.774 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](C3CCOCC3)C2)c(F)c1 ZINC000334347206 379132700 /nfs/dbraw/zinc/13/27/00/379132700.db2.gz RAMSCVFAOCYBPE-HNNXBMFYSA-N 0 3 288.366 2.946 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000334355620 379146834 /nfs/dbraw/zinc/14/68/34/379146834.db2.gz AUKZZEBPTLTDGO-NSHDSACASA-N 0 3 292.766 2.869 20 30 CFEDHN CCOC(=O)CCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000171035186 379214754 /nfs/dbraw/zinc/21/47/54/379214754.db2.gz MLTCZVQQNWCLKK-UHFFFAOYSA-N 0 3 286.375 2.866 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1ccco1 ZINC000278828194 194172629 /nfs/dbraw/zinc/17/26/29/194172629.db2.gz CLMDJCKIUBGZPC-KBPBESRZSA-N 0 3 286.379 2.791 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@]2(CCOC2)C1 ZINC000451905421 383735807 /nfs/dbraw/zinc/73/58/07/383735807.db2.gz RXDUUAKISVRPPP-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)c(CC)s2)CC1 ZINC000171723537 379384442 /nfs/dbraw/zinc/38/44/42/379384442.db2.gz PLVACNBKSNIRBS-UHFFFAOYSA-N 0 3 292.448 2.999 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCOC2)c([O-])c1 ZINC000171648056 379363961 /nfs/dbraw/zinc/36/39/61/379363961.db2.gz HDTDGRGLECGTHJ-MPMPPSQCSA-N 0 3 276.380 2.836 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2)CC1 ZINC000171680154 379368946 /nfs/dbraw/zinc/36/89/46/379368946.db2.gz XARRXQAWFHVGAC-UHFFFAOYSA-N 0 3 273.380 2.767 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000335527019 379455191 /nfs/dbraw/zinc/45/51/91/379455191.db2.gz JUXLCAAXIYXUSW-UHFFFAOYSA-N 0 3 286.379 2.611 20 30 CFEDHN C[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@H]1O ZINC000334560694 379529810 /nfs/dbraw/zinc/52/98/10/379529810.db2.gz FNHKEPWSTJRVMT-UONOGXRCSA-N 0 3 250.386 2.553 20 30 CFEDHN CSCCCN1CCCN(c2ccccc2C#N)CC1 ZINC000172724819 379634048 /nfs/dbraw/zinc/63/40/48/379634048.db2.gz WBTFRKHSSGBILH-UHFFFAOYSA-N 0 3 289.448 2.823 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000172616408 379608532 /nfs/dbraw/zinc/60/85/32/379608532.db2.gz JVYXITQBHGPDTD-QETWALASSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1C)C(C)C ZINC000173927749 379802577 /nfs/dbraw/zinc/80/25/77/379802577.db2.gz DGKJHJQORXOUFV-HOTGVXAUSA-N 0 3 293.455 2.879 20 30 CFEDHN C[C@@H](Cc1ccc(O)cc1)NCc1ccc(C#N)o1 ZINC000174351360 379869404 /nfs/dbraw/zinc/86/94/04/379869404.db2.gz MQFQTOYZYXNSRS-NSHDSACASA-N 0 3 256.305 2.578 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000174309112 379861541 /nfs/dbraw/zinc/86/15/41/379861541.db2.gz SIYHWHDZBHBACL-IUODEOHRSA-N 0 3 286.379 2.505 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCN2Cc2ccccc2)o1 ZINC000174396989 379878822 /nfs/dbraw/zinc/87/88/22/379878822.db2.gz JZUDHFWENPDTHO-INIZCTEOSA-N 0 3 295.386 2.905 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000174442132 379887097 /nfs/dbraw/zinc/88/70/97/379887097.db2.gz JUPFXMDGVFORMT-DOMZBBRYSA-N 0 3 286.379 2.505 20 30 CFEDHN C=CCN1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000264452193 383741565 /nfs/dbraw/zinc/74/15/65/383741565.db2.gz OHNDLCVOXYTDCN-UHFFFAOYSA-N 0 3 259.328 2.760 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000335084080 379969479 /nfs/dbraw/zinc/96/94/79/379969479.db2.gz LIRGQESUPRPPDG-ZDUSSCGKSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000175087303 379994501 /nfs/dbraw/zinc/99/45/01/379994501.db2.gz ISNGHVOKQPNVII-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cc(Cl)ccc1F ZINC000335858077 380005325 /nfs/dbraw/zinc/00/53/25/380005325.db2.gz QIWOAHOXMCDSCR-QMMMGPOBSA-N 0 3 254.692 2.597 20 30 CFEDHN CC1(C)OCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000335919722 380108517 /nfs/dbraw/zinc/10/85/17/380108517.db2.gz DXZWUNMUYMVMAJ-CYBMUJFWSA-N 0 3 264.756 2.869 20 30 CFEDHN C=CCCCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000571971256 383743339 /nfs/dbraw/zinc/74/33/39/383743339.db2.gz PQFPCISVBKVEIG-OAHLLOKOSA-N 0 3 271.364 2.763 20 30 CFEDHN CC(C#N)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000335999373 380216822 /nfs/dbraw/zinc/21/68/22/380216822.db2.gz VNFCLNKIPMUUEN-LLVKDONJSA-N 0 3 258.296 2.601 20 30 CFEDHN N#CC1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000336390107 380336748 /nfs/dbraw/zinc/33/67/48/380336748.db2.gz VOXYIIFWKAXLHX-UHFFFAOYSA-N 0 3 272.377 2.669 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2Cc3ccc(O)cc3C3(CC3)C2)C1 ZINC000336328977 380322473 /nfs/dbraw/zinc/32/24/73/380322473.db2.gz BHYRMUHMOLZEGT-OCCSQVGLSA-N 0 3 268.360 2.932 20 30 CFEDHN N#C[C@H]1CC[C@H](N2Cc3ccc(O)cc3C3(CC3)C2)C1 ZINC000336328975 380322518 /nfs/dbraw/zinc/32/25/18/380322518.db2.gz BHYRMUHMOLZEGT-JSGCOSHPSA-N 0 3 268.360 2.932 20 30 CFEDHN N#Cc1ccc(CNCCc2cn3ccccc3n2)s1 ZINC000176945834 380286006 /nfs/dbraw/zinc/28/60/06/380286006.db2.gz XSFZQANSEBAGAM-UHFFFAOYSA-N 0 3 282.372 2.600 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2COc3ccccc3C2)s1 ZINC000176957765 380286466 /nfs/dbraw/zinc/28/64/66/380286466.db2.gz PCFWFKDEXQGNLK-LBPRGKRZSA-N 0 3 270.357 2.713 20 30 CFEDHN N#Cc1ccc(CNCCc2ccccc2O)s1 ZINC000176960232 380287019 /nfs/dbraw/zinc/28/70/19/380287019.db2.gz MROCOPWWSFYULB-UHFFFAOYSA-N 0 3 258.346 2.658 20 30 CFEDHN C=CC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000336383838 380335225 /nfs/dbraw/zinc/33/52/25/380335225.db2.gz ARNSKVIDPMMJMR-UHFFFAOYSA-N 0 3 272.348 2.530 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)N1CCC(C)CC1 ZINC000177692505 380369078 /nfs/dbraw/zinc/36/90/78/380369078.db2.gz FHPKPAKOHVZIHI-ZDUSSCGKSA-N 0 3 277.437 2.830 20 30 CFEDHN CN(CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000177795782 380380078 /nfs/dbraw/zinc/38/00/78/380380078.db2.gz QMJVEFOYWRFTRC-UHFFFAOYSA-N 0 3 294.398 2.810 20 30 CFEDHN C=CCCCCNCc1c(Br)c(C)nn1C ZINC000279078787 194274755 /nfs/dbraw/zinc/27/47/55/194274755.db2.gz GVBWNAKEXYCHKG-UHFFFAOYSA-N 0 3 286.217 2.937 20 30 CFEDHN C[C@H](O)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000279069756 194270356 /nfs/dbraw/zinc/27/03/56/194270356.db2.gz LMXRCTKGLHWEOW-QWRGUYRKSA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@@H](O)CCN[C@H](C)c1ccc(C#N)cc1Cl ZINC000279069883 194270446 /nfs/dbraw/zinc/27/04/46/194270446.db2.gz LOJGBDFITYWXGS-NXEZZACHSA-N 0 3 252.745 2.633 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@@H]32)c(F)c1 ZINC000336528462 380418688 /nfs/dbraw/zinc/41/86/88/380418688.db2.gz HKBPYXVUALZTBF-HOCLYGCPSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1F ZINC000336615873 380554309 /nfs/dbraw/zinc/55/43/09/380554309.db2.gz JROMCMKIKQJQNG-GOEBONIOSA-N 0 3 288.366 2.946 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC(C)C)c1cccs1 ZINC000180034976 380611704 /nfs/dbraw/zinc/61/17/04/380611704.db2.gz RAIJORBMQHSCAU-GFCCVEGCSA-N 0 3 266.410 2.727 20 30 CFEDHN N#Cc1cccnc1NCC1CCN(c2ccncc2)CC1 ZINC000180041806 380614319 /nfs/dbraw/zinc/61/43/19/380614319.db2.gz JOZPKKRJPMYJIT-UHFFFAOYSA-N 0 3 293.374 2.677 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(OC)cc1OC ZINC000181094569 380737803 /nfs/dbraw/zinc/73/78/03/380737803.db2.gz NAIIMPFVANGQJP-LBPRGKRZSA-N 0 3 279.405 2.721 20 30 CFEDHN C#CCSCCN[C@H]1CCCOc2ccccc21 ZINC000181093123 380738103 /nfs/dbraw/zinc/73/81/03/380738103.db2.gz YYVNRQJFFMLJPU-AWEZNQCLSA-N 0 3 261.390 2.856 20 30 CFEDHN C#CCSCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000181100114 380739464 /nfs/dbraw/zinc/73/94/64/380739464.db2.gz GIMNKDNGUMXOKW-HNNXBMFYSA-N 0 3 291.416 2.865 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(N2CCOC2=O)cc1 ZINC000181293979 380770979 /nfs/dbraw/zinc/77/09/79/380770979.db2.gz NWSOTJBXYWMYFZ-LBPRGKRZSA-N 0 3 273.336 2.598 20 30 CFEDHN CCC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000347010756 380877146 /nfs/dbraw/zinc/87/71/46/380877146.db2.gz LVCSZYATORYURG-OAHLLOKOSA-N 0 3 285.391 2.680 20 30 CFEDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)c(C)c1 ZINC000353777172 380846803 /nfs/dbraw/zinc/84/68/03/380846803.db2.gz VYXCTNUDMBTAQG-CYBMUJFWSA-N 0 3 287.407 2.509 20 30 CFEDHN C=C(CC)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000358492842 380881570 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380922405 /nfs/dbraw/zinc/92/24/05/380922405.db2.gz MWRUOSSGBPLPFZ-WCQYABFASA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@]1(NCc2cc(C#N)ccc2F)CCO[C@H]1C1CC1 ZINC000368189232 380952182 /nfs/dbraw/zinc/95/21/82/380952182.db2.gz PHXQSAWESDMPNQ-HOTGVXAUSA-N 0 3 274.339 2.745 20 30 CFEDHN CCC[C@@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358591387 380953244 /nfs/dbraw/zinc/95/32/44/380953244.db2.gz OYBXKOOTBHRDQV-CMPLNLGQSA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@H](O)C[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358597785 380960188 /nfs/dbraw/zinc/96/01/88/380960188.db2.gz XUDSDZDWNQYPDB-SRVKXCTJSA-N 0 3 264.344 2.755 20 30 CFEDHN COCC#CCN1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000680113173 542280295 /nfs/dbraw/zinc/28/02/95/542280295.db2.gz MWVFJOJENOSIOO-INIZCTEOSA-N 0 3 257.377 2.743 20 30 CFEDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358570669 380937687 /nfs/dbraw/zinc/93/76/87/380937687.db2.gz NPCIYESBPZBQKW-RYUDHWBXSA-N 0 3 272.327 2.633 20 30 CFEDHN C[C@H](NC1CCC(O)CC1)c1ccc(C#N)cc1F ZINC000358570023 380937713 /nfs/dbraw/zinc/93/77/13/380937713.db2.gz NDVIIGDFSSNNFQ-PKSQDBQZSA-N 0 3 262.328 2.651 20 30 CFEDHN CO[C@@H](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358571215 380940076 /nfs/dbraw/zinc/94/00/76/380940076.db2.gz OUXKHCYDFGTNRT-WDEREUQCSA-N 0 3 250.317 2.773 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](c3nccn3C)C2)c1 ZINC000368137288 380940843 /nfs/dbraw/zinc/94/08/43/380940843.db2.gz ZBNSDTVWQKWDJO-MRXNPFEDSA-N 0 3 297.402 2.974 20 30 CFEDHN COCCOCCCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358575512 380941117 /nfs/dbraw/zinc/94/11/17/380941117.db2.gz SVJVIYCFQIFZRW-ZDUSSCGKSA-N 0 3 294.370 2.791 20 30 CFEDHN Cc1ccc2nc(CNCCc3cccc(C#N)c3)cn2c1 ZINC000341336578 380944773 /nfs/dbraw/zinc/94/47/73/380944773.db2.gz CVZYFTPAQOEJPA-UHFFFAOYSA-N 0 3 290.370 2.847 20 30 CFEDHN N#CCNC(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000181944719 380945736 /nfs/dbraw/zinc/94/57/36/380945736.db2.gz WQMGFXKSMBJDRJ-INIZCTEOSA-N 0 3 285.391 2.537 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)CC1(O)CCC1 ZINC000411532099 381031152 /nfs/dbraw/zinc/03/11/52/381031152.db2.gz XMZVQCMQNCCJFM-UHFFFAOYSA-N 0 3 250.386 2.697 20 30 CFEDHN CC(C)[C@@H](CNc1nccc(C#N)c1Cl)N1CCCC1 ZINC000341432939 381011879 /nfs/dbraw/zinc/01/18/79/381011879.db2.gz OWEHZIBYSPVKNC-CYBMUJFWSA-N 0 3 292.814 2.561 20 30 CFEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000411191831 381015724 /nfs/dbraw/zinc/01/57/24/381015724.db2.gz KIUMEIPJPFNDCY-HZPDHXFCSA-N 0 3 290.363 2.886 20 30 CFEDHN CCCCCC(=O)NC1CCN([C@H](C)CCC#N)CC1 ZINC000411216329 381017701 /nfs/dbraw/zinc/01/77/01/381017701.db2.gz FAWQVUTXXDQYNK-CQSZACIVSA-N 0 3 279.428 2.840 20 30 CFEDHN CCOC(=O)CCN(C)CCC1(C#N)CCCCC1 ZINC000411219946 381019110 /nfs/dbraw/zinc/01/91/10/381019110.db2.gz AYJVDSIWZNKEGU-UHFFFAOYSA-N 0 3 266.385 2.736 20 30 CFEDHN CC(CCN(C)[C@@H](C)CC#N)CCN(C)[C@@H](C)CC#N ZINC000411314700 381022484 /nfs/dbraw/zinc/02/24/84/381022484.db2.gz FQOTWCCBUFVWPK-HOTGVXAUSA-N 0 3 278.444 2.871 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000354023434 381027103 /nfs/dbraw/zinc/02/71/03/381027103.db2.gz CBUWBCJBIIKJJM-AWEZNQCLSA-N 0 3 264.413 2.555 20 30 CFEDHN CC[C@@H](CO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000295644288 380993136 /nfs/dbraw/zinc/99/31/36/380993136.db2.gz GSXNRTLBGYWPDO-AWEZNQCLSA-N 0 3 285.309 2.760 20 30 CFEDHN C=CC1CCN(CCOc2ccccc2C(=O)OC)CC1 ZINC000182162871 381008188 /nfs/dbraw/zinc/00/81/88/381008188.db2.gz KHVJMTXCQJIZSW-UHFFFAOYSA-N 0 3 289.375 2.750 20 30 CFEDHN C#Cc1ccc(CNCCOCC(F)(F)C(F)F)cc1 ZINC000289564164 381046292 /nfs/dbraw/zinc/04/62/92/381046292.db2.gz GZMZRXQWMNEZCV-UHFFFAOYSA-N 0 3 289.272 2.675 20 30 CFEDHN N=C(NO)[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000368527672 381055323 /nfs/dbraw/zinc/05/53/23/381055323.db2.gz ZMWIFBPEZZMQQO-CQSZACIVSA-N 0 3 291.782 2.502 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)CC2CCCC2)c(F)c1 ZINC000341506572 381055482 /nfs/dbraw/zinc/05/54/82/381055482.db2.gz XZWZBDXPBBQYIO-HNNXBMFYSA-N 0 3 290.382 2.976 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(C)cc1 ZINC000182316691 381059557 /nfs/dbraw/zinc/05/95/57/381059557.db2.gz HKTGDMXVVAZCEP-HNNXBMFYSA-N 0 3 272.392 2.846 20 30 CFEDHN N#Cc1c(CN2CCCC23CCOCC3)cn2ccccc12 ZINC000368576875 381070601 /nfs/dbraw/zinc/07/06/01/381070601.db2.gz RAHMDCNYHODAMR-UHFFFAOYSA-N 0 3 295.386 2.956 20 30 CFEDHN C#CCCOc1ccc(CN(C)C[C@H](C)OC)cc1 ZINC000289560371 381042463 /nfs/dbraw/zinc/04/24/63/381042463.db2.gz IXWRAUNKSHVAHX-AWEZNQCLSA-N 0 3 261.365 2.555 20 30 CFEDHN CC[C@H](NCCCSCC#N)c1c(C)noc1C ZINC000182394736 381080460 /nfs/dbraw/zinc/08/04/60/381080460.db2.gz SYRDBRHSFYGVPS-LBPRGKRZSA-N 0 3 267.398 2.979 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCC2CCCC2)CC1 ZINC000358790628 381086745 /nfs/dbraw/zinc/08/67/45/381086745.db2.gz QHAHFGRSHDOTQB-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN CN(CCCO[C@@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000358800703 381093015 /nfs/dbraw/zinc/09/30/15/381093015.db2.gz BTEJDVHPDAYABP-QGZVFWFLSA-N 0 3 288.391 2.923 20 30 CFEDHN CC#CCCNCc1ccc(OC(F)F)c(F)c1 ZINC000354180241 381122911 /nfs/dbraw/zinc/12/29/11/381122911.db2.gz QMDIRRSJSMVXDX-UHFFFAOYSA-N 0 3 257.255 2.930 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCCC1 ZINC000182543118 381108465 /nfs/dbraw/zinc/10/84/65/381108465.db2.gz GSFCNKIDQATABU-OAHLLOKOSA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cnccc1C#N ZINC000358842884 381116588 /nfs/dbraw/zinc/11/65/88/381116588.db2.gz WFPFFZWRCYDFDG-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000411971914 381076266 /nfs/dbraw/zinc/07/62/66/381076266.db2.gz PFZULBMZVPXDGK-BDJLRTHQSA-N 0 3 276.355 2.991 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411971493 381076993 /nfs/dbraw/zinc/07/69/93/381076993.db2.gz ONVVPTQQBDXXPE-YVEFUNNKSA-N 0 3 288.391 2.860 20 30 CFEDHN CN(CCOCC1CCC1)Cc1cccc(C#N)c1 ZINC000341672826 381162878 /nfs/dbraw/zinc/16/28/78/381162878.db2.gz DPRHCGKGXVBOAO-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN C=C[C@H](CO)N[C@H](CC)c1ccc(OC(F)F)cc1 ZINC000289729112 381124298 /nfs/dbraw/zinc/12/42/98/381124298.db2.gz KAGSXKUBQGUXMY-DGCLKSJQSA-N 0 3 271.307 2.876 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000289745687 381132472 /nfs/dbraw/zinc/13/24/72/381132472.db2.gz IVHXFXIFLPWBLP-UHFFFAOYSA-N 0 3 283.375 2.715 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000182881358 381176758 /nfs/dbraw/zinc/17/67/58/381176758.db2.gz YRGDUIYHUJHZIS-RDTXWAMCSA-N 0 3 299.418 2.763 20 30 CFEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1cccnc1 ZINC000182888514 381178890 /nfs/dbraw/zinc/17/88/90/381178890.db2.gz JSXGKUWMBIVKSF-ZDUSSCGKSA-N 0 3 297.358 2.691 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OCCCC)c(OC)c1 ZINC000289852428 381187446 /nfs/dbraw/zinc/18/74/46/381187446.db2.gz NXNSTTJUUCSRIQ-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN Cc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1C#N ZINC000369106103 381193346 /nfs/dbraw/zinc/19/33/46/381193346.db2.gz DYKDKLWHSDEMBR-QGZVFWFLSA-N 0 3 297.402 2.567 20 30 CFEDHN Cc1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1C#N ZINC000369111743 381195141 /nfs/dbraw/zinc/19/51/41/381195141.db2.gz IRVCHKPXHPXOPJ-MRXNPFEDSA-N 0 3 297.402 2.613 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000289879643 381200091 /nfs/dbraw/zinc/20/00/91/381200091.db2.gz RXZSKYOYJKOSLS-NHYWBVRUSA-N 0 3 256.349 2.682 20 30 CFEDHN C=CCCCN1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000369168345 381205491 /nfs/dbraw/zinc/20/54/91/381205491.db2.gz YPAZRAUZEDOCCT-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1sccc1C#N ZINC000183059876 381206077 /nfs/dbraw/zinc/20/60/77/381206077.db2.gz HUCCPESDAKORGG-VHSXEESVSA-N 0 3 265.382 2.582 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000342066365 381208779 /nfs/dbraw/zinc/20/87/79/381208779.db2.gz ZPGFCJZQVFSMAM-SOUVJXGZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000342084504 381210917 /nfs/dbraw/zinc/21/09/17/381210917.db2.gz LMFAWSKFRHKSKK-MJBXVCDLSA-N 0 3 267.417 2.513 20 30 CFEDHN C#CCCOc1ccc(CN[C@H](C)[C@@H](C)OC)cc1 ZINC000289914974 381215711 /nfs/dbraw/zinc/21/57/11/381215711.db2.gz VAQKETBHSMJWQG-ZIAGYGMSSA-N 0 3 261.365 2.602 20 30 CFEDHN CN(CCOCC1CCC1)Cc1ccc(C#N)cc1 ZINC000341681168 381168899 /nfs/dbraw/zinc/16/88/99/381168899.db2.gz VKFRBXBNNCOYAX-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN N#CCCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182835918 381169008 /nfs/dbraw/zinc/16/90/08/381169008.db2.gz FXDBVBQMAHSMTH-NSHDSACASA-N 0 3 286.301 2.843 20 30 CFEDHN C#CCOc1ccc([C@H](C)NC[C@H](CC)OC)cc1 ZINC000290015197 381261844 /nfs/dbraw/zinc/26/18/44/381261844.db2.gz BYDHANHDLMEVNK-ZFWWWQNUSA-N 0 3 261.365 2.774 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000183379125 381264698 /nfs/dbraw/zinc/26/46/98/381264698.db2.gz YMRCFXFDMDCILP-GJZGRUSLSA-N 0 3 287.407 2.530 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000289924797 381221453 /nfs/dbraw/zinc/22/14/53/381221453.db2.gz VCWQSDWQHIFCMM-SCZZXKLOSA-N 0 3 288.160 2.786 20 30 CFEDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279402779 194418377 /nfs/dbraw/zinc/41/83/77/194418377.db2.gz ZRJXOTFQYBDJKI-GWCFXTLKSA-N 0 3 291.782 2.928 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(Br)cc1 ZINC000289949689 381229442 /nfs/dbraw/zinc/22/94/42/381229442.db2.gz WJNNFVQSABJZDI-SKDRFNHKSA-N 0 3 270.170 2.647 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000347680245 381293543 /nfs/dbraw/zinc/29/35/43/381293543.db2.gz AKHZEXPPVALUAL-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(Cc2cccnc2)CC1 ZINC000183665992 381303564 /nfs/dbraw/zinc/30/35/64/381303564.db2.gz IDWQXNWJNKQBJK-UHFFFAOYSA-N 0 3 286.423 2.529 20 30 CFEDHN COc1cc([C@@H](C)NCCOc2ccccc2C#N)ccn1 ZINC000347664323 381285156 /nfs/dbraw/zinc/28/51/56/381285156.db2.gz DORZIDURRLKHRC-CYBMUJFWSA-N 0 3 297.358 2.691 20 30 CFEDHN CC1CCC(N2CCN(c3ccnc(C#N)c3)CC2)CC1 ZINC000342417859 381321141 /nfs/dbraw/zinc/32/11/41/381321141.db2.gz RWUXCCRLAUUCED-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN C#C[C@@H](NCc1ccc2c(c1)ncn2C)C(C)(C)C ZINC000290176532 381331287 /nfs/dbraw/zinc/33/12/87/381331287.db2.gz NJGDSUXOXQJXFM-OAHLLOKOSA-N 0 3 255.365 2.711 20 30 CFEDHN C=C(C)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000347707199 381307645 /nfs/dbraw/zinc/30/76/45/381307645.db2.gz QBVPOOAJFZPGMS-UHFFFAOYSA-N 0 3 267.376 2.933 20 30 CFEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)c1C ZINC000183709446 381309383 /nfs/dbraw/zinc/30/93/83/381309383.db2.gz RQSIGUDVRZZOJD-RDTXWAMCSA-N 0 3 299.418 2.763 20 30 CFEDHN C[C@@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000296245929 381317468 /nfs/dbraw/zinc/31/74/68/381317468.db2.gz BAMLDOOWCDBFMV-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN C#C[C@@H](NCc1ccc(COCCOC)cc1)C(C)(C)C ZINC000290144751 381318927 /nfs/dbraw/zinc/31/89/27/381318927.db2.gz KPTMLNARLGTJIW-QGZVFWFLSA-N 0 3 289.419 2.987 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c(OC)c1)C(C)(C)C ZINC000290222532 381348351 /nfs/dbraw/zinc/34/83/51/381348351.db2.gz RXDIKLCVTPDCRZ-OAHLLOKOSA-N 0 3 261.365 2.841 20 30 CFEDHN CN(CC[C@@H]1CCCO1)Cc1ccc(F)c(C#N)c1 ZINC000342595175 381423033 /nfs/dbraw/zinc/42/30/33/381423033.db2.gz HITSXQGMJHCERC-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN COc1cc(CN2CCC[C@]2(C)CCCO)ccc1C#N ZINC000290565369 381481628 /nfs/dbraw/zinc/48/16/28/381481628.db2.gz SRNFREXYQRWWNT-QGZVFWFLSA-N 0 3 288.391 2.694 20 30 CFEDHN C=CCOCCCN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000348055292 381458922 /nfs/dbraw/zinc/45/89/22/381458922.db2.gz POOCEQSMQAUVMQ-AWEZNQCLSA-N 0 3 283.412 2.633 20 30 CFEDHN C=CCOCCCN1Cc2ccccc2OC[C@H]1C ZINC000348061505 381460222 /nfs/dbraw/zinc/46/02/22/381460222.db2.gz YXZVRKKKENFUOB-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCCC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000359550274 381463893 /nfs/dbraw/zinc/46/38/93/381463893.db2.gz XPHUFEKZCIWBSN-STQMWFEESA-N 0 3 264.369 2.791 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000348176679 381467043 /nfs/dbraw/zinc/46/70/43/381467043.db2.gz CBUPYPGGOBXJQL-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000348169027 381467201 /nfs/dbraw/zinc/46/72/01/381467201.db2.gz OYDHDEKSHXZUCD-FMKPAKJESA-N 0 3 278.440 2.968 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000348169030 381467989 /nfs/dbraw/zinc/46/79/89/381467989.db2.gz OYDHDEKSHXZUCD-LZWOXQAQSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000342727092 381504178 /nfs/dbraw/zinc/50/41/78/381504178.db2.gz ATDCCCPXMXQLEH-HNNXBMFYSA-N 0 3 274.408 2.850 20 30 CFEDHN C=CCCN(C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000342737876 381509575 /nfs/dbraw/zinc/50/95/75/381509575.db2.gz LKHUTPZCQSFZTQ-CQSZACIVSA-N 0 3 278.783 2.953 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000342737197 381509869 /nfs/dbraw/zinc/50/98/69/381509869.db2.gz QIPDSNFOTKNERW-KGLIPLIRSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000370917433 381514014 /nfs/dbraw/zinc/51/40/14/381514014.db2.gz NDPIHDHBXXZIBI-DOTOQJQBSA-N 0 3 272.392 2.687 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000290766198 381542982 /nfs/dbraw/zinc/54/29/82/381542982.db2.gz RWFHCPRYEPTULQ-LBPRGKRZSA-N 0 3 265.353 2.644 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000348382561 381543258 /nfs/dbraw/zinc/54/32/58/381543258.db2.gz KYDCERXKAAZARA-MAUKXSAKSA-N 0 3 299.418 2.909 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1nccc2ccccc21 ZINC000290781007 381548859 /nfs/dbraw/zinc/54/88/59/381548859.db2.gz TXRJHENLWSKBNZ-GXTWGEPZSA-N 0 3 256.349 2.822 20 30 CFEDHN CC[C@H](NCc1cnc2ccc(C#N)cn12)c1ccncc1 ZINC000342779173 381534774 /nfs/dbraw/zinc/53/47/74/381534774.db2.gz PCDVTFBXBQAXEC-INIZCTEOSA-N 0 3 291.358 2.842 20 30 CFEDHN CCN(CCC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348448946 381573528 /nfs/dbraw/zinc/57/35/28/381573528.db2.gz MYAPTKKOJZODGK-KRWDZBQOSA-N 0 3 295.386 2.889 20 30 CFEDHN CCS[C@@H]1CCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000348466525 381580211 /nfs/dbraw/zinc/58/02/11/381580211.db2.gz GJBJZIMKLVVSEA-RWMBFGLXSA-N 0 3 251.399 2.694 20 30 CFEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@H]1CCCO1 ZINC000342810089 381558707 /nfs/dbraw/zinc/55/87/07/381558707.db2.gz OLCSXSVPDQNTKQ-IUODEOHRSA-N 0 3 256.349 2.704 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1ccc2c(c1)OCC(=O)N2 ZINC000414162875 381565694 /nfs/dbraw/zinc/56/56/94/381565694.db2.gz HWHJTKKVRTZDSW-NSHDSACASA-N 0 3 287.363 2.608 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(C(=O)N(C)C)cc1 ZINC000414172246 381566962 /nfs/dbraw/zinc/56/69/62/381566962.db2.gz VWWGRFBDNBIWER-ZDUSSCGKSA-N 0 3 287.407 2.979 20 30 CFEDHN C[C@@H](NCCC1(O)CCC1)c1ccc(C#N)cc1F ZINC000342826392 381571786 /nfs/dbraw/zinc/57/17/86/381571786.db2.gz NJJGFACKJVBHDU-LLVKDONJSA-N 0 3 262.328 2.653 20 30 CFEDHN FC(F)O[C@H]1CCC[C@H]1NCC#Cc1ccccc1 ZINC000348519739 381604711 /nfs/dbraw/zinc/60/47/11/381604711.db2.gz FUGCPTJUJMVWPT-KGLIPLIRSA-N 0 3 265.303 2.788 20 30 CFEDHN CC#CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000185295585 381589809 /nfs/dbraw/zinc/58/98/09/381589809.db2.gz TZFXCUFZELWDDO-KRWDZBQOSA-N 0 3 286.419 2.908 20 30 CFEDHN CCN1CC[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414551337 381595776 /nfs/dbraw/zinc/59/57/76/381595776.db2.gz OPELSRPSUOBDGD-ZDUSSCGKSA-N 0 3 297.324 2.761 20 30 CFEDHN CC[C@@H](C(=O)N(CCC#N)CCC(C)C)N(CC)CC ZINC000359792298 381613484 /nfs/dbraw/zinc/61/34/84/381613484.db2.gz JXPUZZCBHGZJKB-HNNXBMFYSA-N 0 3 281.444 2.895 20 30 CFEDHN N#CC(C(=O)c1ccnc2ccncc21)c1ccccn1 ZINC000355107784 381615027 /nfs/dbraw/zinc/61/50/27/381615027.db2.gz ZGSROKKTOVHFOT-GFCCVEGCSA-N 0 3 274.283 2.515 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCCO[C@H]2c2ccncc2)c1 ZINC000342932430 381623372 /nfs/dbraw/zinc/62/33/72/381623372.db2.gz BJPOCDABZZAYAH-MSOLQXFVSA-N 0 3 293.370 2.963 20 30 CFEDHN Cn1cc([C@@H](NCCCCC#N)c2ccc(F)cc2)cn1 ZINC000185418210 381626101 /nfs/dbraw/zinc/62/61/01/381626101.db2.gz LFFUVLJEXNFXLI-INIZCTEOSA-N 0 3 286.354 2.932 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@@H]1CCC[C@H]1O ZINC000348547055 381626121 /nfs/dbraw/zinc/62/61/21/381626121.db2.gz NZPJTJQAGUEGPH-HUUCEWRRSA-N 0 3 261.365 2.597 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(F)ccc1OC ZINC000291017932 381635192 /nfs/dbraw/zinc/63/51/92/381635192.db2.gz GHRQQZGQUCHJHJ-LRDDRELGSA-N 0 3 279.355 2.905 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000636249509 383750523 /nfs/dbraw/zinc/75/05/23/383750523.db2.gz KVNQZOGSXREQFH-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C[C@H]1CCC[C@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298486842 381645870 /nfs/dbraw/zinc/64/58/70/381645870.db2.gz WPDFAPJWHMIZRH-YOEHRIQHSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298486799 381646030 /nfs/dbraw/zinc/64/60/30/381646030.db2.gz WPDFAPJWHMIZRH-PBHICJAKSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1CCC ZINC000343246236 381670747 /nfs/dbraw/zinc/67/07/47/381670747.db2.gz HDSGHLYLLBSZQJ-UONOGXRCSA-N 0 3 252.402 2.722 20 30 CFEDHN CC[C@H]1[C@H](C)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000185640066 381691265 /nfs/dbraw/zinc/69/12/65/381691265.db2.gz FTLYILFETVNOCA-DOMZBBRYSA-N 0 3 271.364 2.617 20 30 CFEDHN CN(C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)o1 ZINC000371799903 381703291 /nfs/dbraw/zinc/70/32/91/381703291.db2.gz WGCIOCVSINYCQO-QZTJIDSGSA-N 0 3 295.386 2.859 20 30 CFEDHN C#CCOc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000371808894 381704476 /nfs/dbraw/zinc/70/44/76/381704476.db2.gz LNFBQMWASAWZDB-GOSISDBHSA-N 0 3 299.414 2.947 20 30 CFEDHN C=C1CCN(CCc2ccc3c(c2)OCCO3)CC1 ZINC000360029059 381738399 /nfs/dbraw/zinc/73/83/99/381738399.db2.gz ZVJPEJVNRJCNGB-UHFFFAOYSA-N 0 3 259.349 2.652 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCCC#N)C1 ZINC000360040062 381745707 /nfs/dbraw/zinc/74/57/07/381745707.db2.gz WPQMHWWOJFDWIP-HOCLYGCPSA-N 0 3 285.391 2.632 20 30 CFEDHN Cc1ccc(N2CC[C@@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000185834340 381749033 /nfs/dbraw/zinc/74/90/33/381749033.db2.gz IJHOGVKYCMMZOS-YQQAZPJKSA-N 0 3 297.402 2.772 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000185838306 381752201 /nfs/dbraw/zinc/75/22/01/381752201.db2.gz SHEXYVHTYHWLCX-SJLPKXTDSA-N 0 3 298.430 2.959 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000372109942 381754684 /nfs/dbraw/zinc/75/46/84/381754684.db2.gz XKYMNFFMJHZNKS-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN Cc1ccnc(NCCN(C)Cc2ccccc2)c1C#N ZINC000343501256 381754858 /nfs/dbraw/zinc/75/48/58/381754858.db2.gz CBVRWYDDHKVRBY-UHFFFAOYSA-N 0 3 280.375 2.806 20 30 CFEDHN CCC[C@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000343538820 381782767 /nfs/dbraw/zinc/78/27/67/381782767.db2.gz WBISBLKERQDTMC-RDJZCZTQSA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000355592301 381783786 /nfs/dbraw/zinc/78/37/86/381783786.db2.gz AYJXMVUXSWSDQQ-HOCLYGCPSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CCOCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000355596024 381785709 /nfs/dbraw/zinc/78/57/09/381785709.db2.gz JTDKUVRCUSWTPV-UHFFFAOYSA-N 0 3 273.336 2.501 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000185952751 381786609 /nfs/dbraw/zinc/78/66/09/381786609.db2.gz WFWRUDLQMMLMBM-FUHWJXTLSA-N 0 3 284.403 2.742 20 30 CFEDHN CN(CCC1CCN(c2ccncc2)CC1)CC1(C#N)CC1 ZINC000343563974 381800333 /nfs/dbraw/zinc/80/03/33/381800333.db2.gz NEWRJPQHHPMENP-UHFFFAOYSA-N 0 3 298.434 2.924 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CCCN(CC(C)C)CC2)c1 ZINC000360722738 381788174 /nfs/dbraw/zinc/78/81/74/381788174.db2.gz VEHCRMSRARJWLV-UHFFFAOYSA-N 0 3 299.418 2.864 20 30 CFEDHN C=CCOc1ccccc1CN(C)CC1(O)CCC1 ZINC000355370625 381764342 /nfs/dbraw/zinc/76/43/42/381764342.db2.gz SPSBGLKKERNBQZ-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN C#CCN1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000360148188 381768144 /nfs/dbraw/zinc/76/81/44/381768144.db2.gz LCYPDNVVICYOFF-LSDHHAIUSA-N 0 3 292.423 2.731 20 30 CFEDHN N#CCCCN1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000360186331 381768608 /nfs/dbraw/zinc/76/86/08/381768608.db2.gz FBYHTKDBMVYDSJ-INIZCTEOSA-N 0 3 283.375 2.738 20 30 CFEDHN C=CCN(CCCC(=O)NCCC)CCc1ccco1 ZINC000298882753 381773377 /nfs/dbraw/zinc/77/33/77/381773377.db2.gz KKDOCNKZVGVTAE-UHFFFAOYSA-N 0 3 278.396 2.617 20 30 CFEDHN C=CCN(CCc1ccco1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000298917524 381780629 /nfs/dbraw/zinc/78/06/29/381780629.db2.gz NHPQEPQHLCMRIK-MSOLQXFVSA-N 0 3 283.371 2.968 20 30 CFEDHN COCCOc1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000361463511 381832778 /nfs/dbraw/zinc/83/27/78/381832778.db2.gz MHNOCCIBKSRZNV-ZBFHGGJFSA-N 0 3 288.391 2.884 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000361470952 381835084 /nfs/dbraw/zinc/83/50/84/381835084.db2.gz WPXCXGVFTSQDBK-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN CC[C@@H](NCCc1cccc(C#N)c1)c1nccn1C ZINC000343616022 381845203 /nfs/dbraw/zinc/84/52/03/381845203.db2.gz SUVVQCZDNFDUMW-OAHLLOKOSA-N 0 3 268.364 2.575 20 30 CFEDHN CCN(CC1CCC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000361481187 381836374 /nfs/dbraw/zinc/83/63/74/381836374.db2.gz KFVJCDRYUMSDRW-BBRMVZONSA-N 0 3 279.428 2.551 20 30 CFEDHN C[C@H](CO)N(CC#Cc1ccc(F)cc1)CC1CCC1 ZINC000361500432 381836820 /nfs/dbraw/zinc/83/68/20/381836820.db2.gz DSBHXLOJKQLJJR-CQSZACIVSA-N 0 3 275.367 2.660 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000372597943 381842297 /nfs/dbraw/zinc/84/22/97/381842297.db2.gz CJEVHYWQVOEZOC-INIZCTEOSA-N 0 3 295.386 2.858 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCN(C3CCC3)C[C@H](C)C2)n1 ZINC000292434815 381804910 /nfs/dbraw/zinc/80/49/10/381804910.db2.gz XRJIJOWHTUYTSM-ZDUSSCGKSA-N 0 3 298.434 2.881 20 30 CFEDHN CC[C@H](C)[C@H](C)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000355796847 381805271 /nfs/dbraw/zinc/80/52/71/381805271.db2.gz LDVIJYLTJOJAIF-GDZNZVCISA-N 0 3 291.439 2.694 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](n2cccn2)C1 ZINC000361236603 381812004 /nfs/dbraw/zinc/81/20/04/381812004.db2.gz KMYQHWQDFAFOAU-INIZCTEOSA-N 0 3 283.375 2.895 20 30 CFEDHN C#CCCN1CCC(Nc2cccc(OC)c2)CC1 ZINC000361297531 381818665 /nfs/dbraw/zinc/81/86/65/381818665.db2.gz HBAFTPMLLGEPFC-UHFFFAOYSA-N 0 3 258.365 2.595 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2ncccc2CC)CC1 ZINC000356870632 381876131 /nfs/dbraw/zinc/87/61/31/381876131.db2.gz OGKOBHYEJSLSDL-AWEZNQCLSA-N 0 3 273.424 2.945 20 30 CFEDHN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)C(C)C#N ZINC000416269278 381885304 /nfs/dbraw/zinc/88/53/04/381885304.db2.gz CQEXDRKLWUNPQD-TZMCWYRMSA-N 0 3 294.395 2.554 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2C[C@@H]2c2ccccc2)C1=O ZINC000343623724 381850652 /nfs/dbraw/zinc/85/06/52/381850652.db2.gz PJZXGSHMIJCYLT-ZACQAIPSSA-N 0 3 284.403 2.509 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000361641287 381854233 /nfs/dbraw/zinc/85/42/33/381854233.db2.gz YKHYEWIXZJYACB-KKUMJFAQSA-N 0 3 296.480 2.627 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)[C@H](CO)C2)cc1Cl ZINC000361659336 381855742 /nfs/dbraw/zinc/85/57/42/381855742.db2.gz ZVHVSODFSGGHGN-JSGCOSHPSA-N 0 3 295.810 2.965 20 30 CFEDHN C=CCN(CCOC)CCOc1ccc(F)cc1Cl ZINC000362050558 381886324 /nfs/dbraw/zinc/88/63/24/381886324.db2.gz QBWQNJAPCICULR-UHFFFAOYSA-N 0 3 287.762 2.992 20 30 CFEDHN C=CCCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CC1 ZINC000361806912 381863081 /nfs/dbraw/zinc/86/30/81/381863081.db2.gz POXQKDPAANCBKN-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCNC(=O)CCN1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000292863313 381871414 /nfs/dbraw/zinc/87/14/14/381871414.db2.gz RSFPARPSEQMQNQ-UKRRQHHQSA-N 0 3 288.391 2.501 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(CNC)c1 ZINC000415964401 381871638 /nfs/dbraw/zinc/87/16/38/381871638.db2.gz SODTURXOBMCNHP-OAHLLOKOSA-N 0 3 273.380 2.978 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343704005 381897913 /nfs/dbraw/zinc/89/79/13/381897913.db2.gz DHUWNBBYAYBPAV-CABCVRRESA-N 0 3 271.408 2.667 20 30 CFEDHN C/C=C\C[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000349378666 381915919 /nfs/dbraw/zinc/91/59/19/381915919.db2.gz MASKHUCTYSCHHG-BOYPOZMQSA-N 0 3 262.328 2.675 20 30 CFEDHN CN1Cc2ccccc2[C@H](N[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000373055413 381918900 /nfs/dbraw/zinc/91/89/00/381918900.db2.gz JRPNPDAIENMVNM-FRFSOERESA-N 0 3 269.392 2.845 20 30 CFEDHN CC#CCCCC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000362146212 381926604 /nfs/dbraw/zinc/92/66/04/381926604.db2.gz LLOLNBRZZOUFHY-GJZGRUSLSA-N 0 3 264.413 2.559 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1cc(C#N)cs1 ZINC000349410473 381927284 /nfs/dbraw/zinc/92/72/84/381927284.db2.gz UUCJPZVPKUTCAQ-UHFFFAOYSA-N 0 3 274.393 2.647 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H]2CCCCCN2)c1 ZINC000372908306 381888337 /nfs/dbraw/zinc/88/83/37/381888337.db2.gz TUWBMFQEFSPFLT-HNNXBMFYSA-N 0 3 274.364 2.722 20 30 CFEDHN C=CCCCCCN1CCc2nn(CCC)c(=O)cc2C1 ZINC000373231776 381956191 /nfs/dbraw/zinc/95/61/91/381956191.db2.gz PUZZSMPQDTYCBM-UHFFFAOYSA-N 0 3 289.423 2.758 20 30 CFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1nccc(C#N)c1Cl ZINC000343812322 381957397 /nfs/dbraw/zinc/95/73/97/381957397.db2.gz VSXNRBMRCFMDHL-YPMHNXCESA-N 0 3 290.798 2.670 20 30 CFEDHN Cc1cc(CN(C)CCCn2ccnc2)ccc1C#N ZINC000349423401 381933459 /nfs/dbraw/zinc/93/34/59/381933459.db2.gz XFTUPRLYGLRVMU-UHFFFAOYSA-N 0 3 268.364 2.585 20 30 CFEDHN C[C@H]1CCC[C@@H](CN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000356985896 381943591 /nfs/dbraw/zinc/94/35/91/381943591.db2.gz XTCMNITTWHZRCV-DOTOQJQBSA-N 0 3 298.434 2.902 20 30 CFEDHN COC(=O)[C@H]1CN([C@H](C)c2cccc(C#N)c2)CC12CCC2 ZINC000373181453 381944139 /nfs/dbraw/zinc/94/41/39/381944139.db2.gz TVLJQYDYZIKTQK-CZUORRHYSA-N 0 3 298.386 2.894 20 30 CFEDHN CC(C)(C#N)CCCN1CCC(Oc2cnccn2)CC1 ZINC000373295567 381972451 /nfs/dbraw/zinc/97/24/51/381972451.db2.gz WLMQYDUYXHIVFS-UHFFFAOYSA-N 0 3 288.395 2.650 20 30 CFEDHN C[C@H](NCc1cccc(F)c1C#N)C1CCOCC1 ZINC000362297371 381996812 /nfs/dbraw/zinc/99/68/12/381996812.db2.gz WWMYWPQSNMYYTE-NSHDSACASA-N 0 3 262.328 2.602 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCN(CCC)CC1 ZINC000373356144 381984723 /nfs/dbraw/zinc/98/47/23/381984723.db2.gz ZRXJCSNXTCTEOR-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](CC)c1ccc(F)cc1F ZINC000186690482 381985145 /nfs/dbraw/zinc/98/51/45/381985145.db2.gz IHNDWUPPWMWDKF-SMDDNHRTSA-N 0 3 255.308 2.943 20 30 CFEDHN CCc1ccc(C#CC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000293090098 381985170 /nfs/dbraw/zinc/98/51/70/381985170.db2.gz DWYZWGOUZTXVMU-CRAIPNDOSA-N 0 3 298.430 2.542 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000362285824 381991541 /nfs/dbraw/zinc/99/15/41/381991541.db2.gz NJGHMBGRUXLNEK-LBPRGKRZSA-N 0 3 257.312 2.604 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000349823308 381992667 /nfs/dbraw/zinc/99/26/67/381992667.db2.gz UFXVWYADYWJVGH-DZGCQCFKSA-N 0 3 266.348 2.654 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(-n3cccn3)cc2)C1 ZINC000349827330 381993299 /nfs/dbraw/zinc/99/32/99/381993299.db2.gz JCBAPCXMTWKESO-GJZGRUSLSA-N 0 3 266.348 2.654 20 30 CFEDHN C#CCOc1ccccc1CN(C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000362385816 382041268 /nfs/dbraw/zinc/04/12/68/382041268.db2.gz JDGNMFVVFDYYGL-KBAYOESNSA-N 0 3 299.414 2.944 20 30 CFEDHN CCOC(=O)[C@@H]1CN(CCCCC#N)Cc2ccccc21 ZINC000374401871 382045515 /nfs/dbraw/zinc/04/55/15/382045515.db2.gz DDZXAHPMYYBZRC-MRXNPFEDSA-N 0 3 286.375 2.843 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCC(C)(C)CCC#N ZINC000351598102 382046050 /nfs/dbraw/zinc/04/60/50/382046050.db2.gz ICIFMASZROAKKF-AWEZNQCLSA-N 0 3 296.459 2.592 20 30 CFEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@H](C)CCC#N)C1 ZINC000351622566 382047761 /nfs/dbraw/zinc/04/77/61/382047761.db2.gz WFEHGSJSBDENIZ-ZNMIVQPWSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCCCCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000351662094 382053795 /nfs/dbraw/zinc/05/37/95/382053795.db2.gz OAGHWTQEVNLQGM-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN COC1(CCN2CCN(c3ccccc3C#N)CC2)CCC1 ZINC000293264080 382053836 /nfs/dbraw/zinc/05/38/36/382053836.db2.gz XQZVKEQTBUXXGM-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C=CCCCCNC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000351689809 382055521 /nfs/dbraw/zinc/05/55/21/382055521.db2.gz BVKFAVBICIBENH-HUUCEWRRSA-N 0 3 281.444 2.905 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@H](O)Cc1ccccc1 ZINC000293280167 382060441 /nfs/dbraw/zinc/06/04/41/382060441.db2.gz JRGHWODVEDNNMD-QGZVFWFLSA-N 0 3 298.361 2.733 20 30 CFEDHN C=C(C)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000351843561 382064660 /nfs/dbraw/zinc/06/46/60/382064660.db2.gz FYRGFSWVGKDEGU-UHFFFAOYSA-N 0 3 275.352 2.683 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000491773791 262030001 /nfs/dbraw/zinc/03/00/01/262030001.db2.gz CNODLFZPBKXPQB-LLVKDONJSA-N 0 3 264.756 2.622 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000375767802 382102562 /nfs/dbraw/zinc/10/25/62/382102562.db2.gz JEXHBVYUOCAIJN-YOEHRIQHSA-N 0 3 291.439 2.840 20 30 CFEDHN C#CCCOc1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000376022034 382116620 /nfs/dbraw/zinc/11/66/20/382116620.db2.gz QWWJBIBUGOWQSI-INIZCTEOSA-N 0 3 285.387 2.557 20 30 CFEDHN COc1ccc(CN2CC[C@H](C3CC3)C2)cc1C#N ZINC000344029675 382079128 /nfs/dbraw/zinc/07/91/28/382079128.db2.gz LDKYEFCGXBYXCZ-AWEZNQCLSA-N 0 3 256.349 2.799 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@H](C)CC(C)(C)C1 ZINC000344031374 382081861 /nfs/dbraw/zinc/08/18/61/382081861.db2.gz DRMCMMFDSKHZDU-HUUCEWRRSA-N 0 3 278.440 2.944 20 30 CFEDHN C#CCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000375429949 382086014 /nfs/dbraw/zinc/08/60/14/382086014.db2.gz UNXXVHDNSSASCR-SFHVURJKSA-N 0 3 298.430 2.818 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCCN(c3ccccc3)CC2)C1 ZINC000293367572 382095014 /nfs/dbraw/zinc/09/50/14/382095014.db2.gz FLCMTGUUKSEWJI-NVXWUHKLSA-N 0 3 269.392 2.891 20 30 CFEDHN CC(C)(C#N)CCCCN1CCCN(CC(F)F)CC1 ZINC000375729226 382097941 /nfs/dbraw/zinc/09/79/41/382097941.db2.gz FUNWUUHZLIBYHY-UHFFFAOYSA-N 0 3 287.398 2.979 20 30 CFEDHN C=CC[NH+]1CCC(NCc2cccc([O-])c2Cl)CC1 ZINC000293474174 382136824 /nfs/dbraw/zinc/13/68/24/382136824.db2.gz FFWFFRJKHYQTLB-UHFFFAOYSA-N 0 3 280.799 2.786 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@H]2OCCc3ccccc32)C1 ZINC000376478390 382137814 /nfs/dbraw/zinc/13/78/14/382137814.db2.gz OQZNMMZWHYEYLI-UKPHBRMFSA-N 0 3 270.376 2.972 20 30 CFEDHN C=CCOCCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000293531511 382160659 /nfs/dbraw/zinc/16/06/59/382160659.db2.gz JKMPCXUAHCWTDJ-AWEZNQCLSA-N 0 3 269.772 2.556 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C(C)(C)C)C1 ZINC000344158923 382168674 /nfs/dbraw/zinc/16/86/74/382168674.db2.gz FQCHQMVFQSLEEE-CQSZACIVSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCC(C)(C)CN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000419191282 382236600 /nfs/dbraw/zinc/23/66/00/382236600.db2.gz WKKHNWBLMQPFSN-ZDUSSCGKSA-N 0 3 264.344 2.544 20 30 CFEDHN C=CCOCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000293632222 382204538 /nfs/dbraw/zinc/20/45/38/382204538.db2.gz WWGRWJXMUVIYHG-AWEZNQCLSA-N 0 3 281.421 2.932 20 30 CFEDHN C=CCOCCN1CCC(OCc2ccccc2)CC1 ZINC000293632482 382205097 /nfs/dbraw/zinc/20/50/97/382205097.db2.gz WYNXNNSSRMONJY-UHFFFAOYSA-N 0 3 275.392 2.870 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362703239 382206745 /nfs/dbraw/zinc/20/67/45/382206745.db2.gz IZHRCQOGORVPSO-DZKIICNBSA-N 0 3 287.407 2.696 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNCc1ccc(C#N)o1 ZINC000344226983 382212920 /nfs/dbraw/zinc/21/29/20/382212920.db2.gz UKAYCLVJWGBYBR-STQMWFEESA-N 0 3 261.369 2.504 20 30 CFEDHN Cc1ccc(N2CCN(CC3CCCCC3)CC2)nc1C#N ZINC000302613386 382276749 /nfs/dbraw/zinc/27/67/49/382276749.db2.gz FJTPJYKSDPNAOS-UHFFFAOYSA-N 0 3 298.434 2.964 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc(C)c(C#N)n1 ZINC000302646657 382281747 /nfs/dbraw/zinc/28/17/47/382281747.db2.gz MGPMNOVULUYCFS-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN Cc1ccc(NCCN2CCc3ccccc3C2)nc1C#N ZINC000302648896 382281764 /nfs/dbraw/zinc/28/17/64/382281764.db2.gz MSKYMKXHOJWJNX-UHFFFAOYSA-N 0 3 292.386 2.732 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419325659 382286119 /nfs/dbraw/zinc/28/61/19/382286119.db2.gz LHTQHSDGNDBYMT-GJZGRUSLSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCOCCN(CCO)[C@H]1CCCc2ccccc21 ZINC000293809209 382287840 /nfs/dbraw/zinc/28/78/40/382287840.db2.gz OAQWVCDCTXQHPB-KRWDZBQOSA-N 0 3 275.392 2.561 20 30 CFEDHN C=C[C@H]1CCCCN1CCc1c(C)nc2ccccn2c1=O ZINC000352357640 382288456 /nfs/dbraw/zinc/28/84/56/382288456.db2.gz OKQRJBBYEJGWJS-HNNXBMFYSA-N 0 3 297.402 2.586 20 30 CFEDHN C=C(C)CCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000419221054 382249581 /nfs/dbraw/zinc/24/95/81/382249581.db2.gz BWWKSKOPLQBBMF-OAHLLOKOSA-N 0 3 258.365 2.562 20 30 CFEDHN C=C(C)CCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000419227932 382250757 /nfs/dbraw/zinc/25/07/57/382250757.db2.gz UBKJYSQJRLJTKV-LBPRGKRZSA-N 0 3 297.196 2.531 20 30 CFEDHN COCCOC[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187706022 382253031 /nfs/dbraw/zinc/25/30/31/382253031.db2.gz IDLMIAJPQSCKOU-HOCLYGCPSA-N 0 3 288.391 2.604 20 30 CFEDHN C[C@H](NCc1ccc(OCCO)cc1)c1cccc(C#N)c1 ZINC000344288598 382253540 /nfs/dbraw/zinc/25/35/40/382253540.db2.gz JPVLPGHXTCSSEF-AWEZNQCLSA-N 0 3 296.370 2.780 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000357712489 382291086 /nfs/dbraw/zinc/29/10/86/382291086.db2.gz BTVJWTJICIQKFD-HUUCEWRRSA-N 0 3 299.418 2.685 20 30 CFEDHN CC(C)=CCC[C@@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419254497 382261326 /nfs/dbraw/zinc/26/13/26/382261326.db2.gz FRDZRTBNSITXJA-CZUORRHYSA-N 0 3 285.391 2.809 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000344718067 382273104 /nfs/dbraw/zinc/27/31/04/382273104.db2.gz DHWKZCORNVECJN-PBHICJAKSA-N 0 3 278.440 2.922 20 30 CFEDHN CN(Cc1ccc(C#N)cc1F)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364630051 382344042 /nfs/dbraw/zinc/34/40/42/382344042.db2.gz NQRMMMOTDLUTHY-NUEKZKHPSA-N 0 3 288.366 2.943 20 30 CFEDHN N#Cc1c(F)ccc(CN2CCN3CCC2CC3)c1Cl ZINC000377632170 382306741 /nfs/dbraw/zinc/30/67/41/382306741.db2.gz VJFWRGRDSZHUJN-UHFFFAOYSA-N 0 3 293.773 2.631 20 30 CFEDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000419391673 382313023 /nfs/dbraw/zinc/31/30/23/382313023.db2.gz JYRLCUPDDXRQFK-QLFBSQMISA-N 0 3 291.439 2.648 20 30 CFEDHN CC(C)Oc1cccc([C@@H](C)NC(=O)C(C)C#N)c1 ZINC000345816971 382316323 /nfs/dbraw/zinc/31/63/23/382316323.db2.gz OKDSLRXZFODUCB-VXGBXAGGSA-N 0 3 260.337 2.811 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCC[C@H](C)C1 ZINC000187985009 382316764 /nfs/dbraw/zinc/31/67/64/382316764.db2.gz KRXRMXUDNGCSBD-GJZGRUSLSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](C)CCCC ZINC000352414797 382318948 /nfs/dbraw/zinc/31/89/48/382318948.db2.gz KKQZWMSKEGVOJV-AWEZNQCLSA-N 0 3 252.402 2.698 20 30 CFEDHN CC(C)C[C@@]1(CO)CCCN1Cc1cc(C#N)cs1 ZINC000188038402 382330221 /nfs/dbraw/zinc/33/02/21/382330221.db2.gz SJGGSAJEDKLTFK-OAHLLOKOSA-N 0 3 278.421 2.993 20 30 CFEDHN CCN1C[C@@H](C)N(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000346207887 382335946 /nfs/dbraw/zinc/33/59/46/382335946.db2.gz MXYWJAPYDNXJPE-HUUCEWRRSA-N 0 3 274.383 2.592 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000293916921 382336648 /nfs/dbraw/zinc/33/66/48/382336648.db2.gz GNBMSFGKSFMTBZ-NSHDSACASA-N 0 3 298.839 2.576 20 30 CFEDHN C[C@H](CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346241200 382337099 /nfs/dbraw/zinc/33/70/99/382337099.db2.gz NTWGUQPTBNTDOH-CABCVRRESA-N 0 3 299.418 2.673 20 30 CFEDHN C=CCOCCCN1CCC(Oc2ncccc2C)CC1 ZINC000352368007 382293441 /nfs/dbraw/zinc/29/34/41/382293441.db2.gz CXDZYBQXSMXDHX-UHFFFAOYSA-N 0 3 290.407 2.826 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cccc(F)c1F ZINC000345268453 382294144 /nfs/dbraw/zinc/29/41/44/382294144.db2.gz PCXMVLWXMIYCHK-GHMZBOCLSA-N 0 3 255.308 2.800 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(c2cnccc2C#N)C1 ZINC000364900222 382357688 /nfs/dbraw/zinc/35/76/88/382357688.db2.gz IGNOLTWFMASPDJ-KRWDZBQOSA-N 0 3 292.386 2.664 20 30 CFEDHN N#Cc1ccc(CN2CCCC23CCOCC3)cc1F ZINC000365254276 382366715 /nfs/dbraw/zinc/36/67/15/382366715.db2.gz GXDYKLOKDDFPHB-UHFFFAOYSA-N 0 3 274.339 2.842 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)cc1 ZINC000346493541 382385545 /nfs/dbraw/zinc/38/55/45/382385545.db2.gz KFPWEGIKEQTUGN-HOCLYGCPSA-N 0 3 299.418 2.987 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1cc(C#N)ccc1C ZINC000352648739 382431906 /nfs/dbraw/zinc/43/19/06/382431906.db2.gz URBNOTMYVADTLY-AWEZNQCLSA-N 0 3 273.380 2.972 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352676911 382448388 /nfs/dbraw/zinc/44/83/88/382448388.db2.gz VCZOVDZQJXWCSA-NEPJUHHUSA-N 0 3 292.345 2.809 20 30 CFEDHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000305841640 382448528 /nfs/dbraw/zinc/44/85/28/382448528.db2.gz ZMDULHUNVLRIMM-RBOXIYTFSA-N 0 3 276.355 2.899 20 30 CFEDHN CC(C)(O)[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000305725411 382442788 /nfs/dbraw/zinc/44/27/88/382442788.db2.gz JFRUKVWGCHLVBL-HNNXBMFYSA-N 0 3 277.795 2.927 20 30 CFEDHN C=CCOCCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000294098526 382414242 /nfs/dbraw/zinc/41/42/42/382414242.db2.gz MFGPVUAAFXONHQ-MRXNPFEDSA-N 0 3 295.810 2.834 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000378631886 382495448 /nfs/dbraw/zinc/49/54/48/382495448.db2.gz KENPFHSTJMGMMN-LLVKDONJSA-N 0 3 250.367 2.621 20 30 CFEDHN CN(C)CC(C)(C)NCc1ccc(C#N)cc1Cl ZINC000308638983 382482099 /nfs/dbraw/zinc/48/20/99/382482099.db2.gz XJWSVHCPTYKEFO-UHFFFAOYSA-N 0 3 265.788 2.641 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352970109 382485311 /nfs/dbraw/zinc/48/53/11/382485311.db2.gz UFYZCRPODKZSBV-HUUCEWRRSA-N 0 3 281.444 2.761 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353066762 382490784 /nfs/dbraw/zinc/49/07/84/382490784.db2.gz CHADZPCZTNKHHD-WMZOPIPTSA-N 0 3 299.418 2.707 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC(C3CCCC3)C2)cc1 ZINC000366505888 382522719 /nfs/dbraw/zinc/52/27/19/382522719.db2.gz QMRLJBIAGJNLLA-KRWDZBQOSA-N 0 3 270.376 2.714 20 30 CFEDHN C[C@H]1C[C@@H](CO)CN(CC#Cc2ccc(Cl)cc2)C1 ZINC000420948952 382501329 /nfs/dbraw/zinc/50/13/29/382501329.db2.gz UYHWSWYAWXRDPR-DZGCQCFKSA-N 0 3 277.795 2.642 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CC(F)(F)F ZINC000188916444 382504411 /nfs/dbraw/zinc/50/44/11/382504411.db2.gz RFPLYVLJWPXHHS-CQSZACIVSA-N 0 3 298.308 2.860 20 30 CFEDHN OCC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC000421015508 382505034 /nfs/dbraw/zinc/50/50/34/382505034.db2.gz LLWLGIARZCSUHE-MRXNPFEDSA-N 0 3 275.367 2.662 20 30 CFEDHN CC#CCCN1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003463 382505489 /nfs/dbraw/zinc/50/54/89/382505489.db2.gz FFNAMVWOGKOEPQ-KGLIPLIRSA-N 0 3 265.397 2.700 20 30 CFEDHN COCCN(CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000188944656 382509461 /nfs/dbraw/zinc/50/94/61/382509461.db2.gz FFHKAYZXWRJIPS-KRWDZBQOSA-N 0 3 288.391 2.576 20 30 CFEDHN CC(C#N)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000322620232 382541575 /nfs/dbraw/zinc/54/15/75/382541575.db2.gz NHUWVUVSMOPCMS-ZCFIWIBFSA-N 0 3 264.133 2.679 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000358290948 382550267 /nfs/dbraw/zinc/55/02/67/382550267.db2.gz FKGVPSOTUPWVKK-QWRGUYRKSA-N 0 3 262.353 2.879 20 30 CFEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@@H](O)C1CCCCC1 ZINC000328598293 382551695 /nfs/dbraw/zinc/55/16/95/382551695.db2.gz BBWMZLLRKMNUGQ-ZBFHGGJFSA-N 0 3 294.439 2.901 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(C#N)cc1F ZINC000346866319 382551983 /nfs/dbraw/zinc/55/19/83/382551983.db2.gz BAVJROWAHHAOIA-FZZIBODNSA-N 0 3 262.328 2.507 20 30 CFEDHN CO[C@@H]([C@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000388253797 382604483 /nfs/dbraw/zinc/60/44/83/382604483.db2.gz AOHLXHRIKCZFPY-ZANVPECISA-N 0 3 250.367 2.523 20 30 CFEDHN C=CCOc1ccc(CNCC2([S@@](C)=O)CCC2)cc1 ZINC000393701285 382624259 /nfs/dbraw/zinc/62/42/59/382624259.db2.gz BPFIOETVDSPUJW-HXUWFJFHSA-N 0 3 293.432 2.642 20 30 CFEDHN C=CCOc1ccccc1CNCC1([S@@](C)=O)CCC1 ZINC000393702927 382624313 /nfs/dbraw/zinc/62/43/13/382624313.db2.gz GRXZONIRDNGQOJ-HXUWFJFHSA-N 0 3 293.432 2.642 20 30 CFEDHN C=CCOc1ccc(CNCC2([S@](C)=O)CCC2)cc1 ZINC000393701283 382624537 /nfs/dbraw/zinc/62/45/37/382624537.db2.gz BPFIOETVDSPUJW-FQEVSTJZSA-N 0 3 293.432 2.642 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2COC(C)(C)C2)cc1 ZINC000396658299 382631516 /nfs/dbraw/zinc/63/15/16/382631516.db2.gz NVPHBORQCWRTEJ-AWEZNQCLSA-N 0 3 261.365 2.909 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)c2sccc2C#N)cc1 ZINC000353615391 382580762 /nfs/dbraw/zinc/58/07/62/382580762.db2.gz AZLMYMSTFHVYHH-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN C=C(C)COc1cc(CN(C)[C@H](CC)CO)ccc1OC ZINC000295202737 382581930 /nfs/dbraw/zinc/58/19/30/382581930.db2.gz YWSLVFXPEHHVOL-OAHLLOKOSA-N 0 3 293.407 2.853 20 30 CFEDHN C=CCN1CCC(NCc2ccc(Br)o2)CC1 ZINC000190977628 382687201 /nfs/dbraw/zinc/68/72/01/382687201.db2.gz FXIZIDQPQUYKHX-UHFFFAOYSA-N 0 3 299.212 2.782 20 30 CFEDHN CN(Cc1ccc(C#N)o1)CC1(O)CCCCCC1 ZINC000190140295 382654392 /nfs/dbraw/zinc/65/43/92/382654392.db2.gz JTJYYRGVAZXJSI-UHFFFAOYSA-N 0 3 262.353 2.668 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190486967 382670855 /nfs/dbraw/zinc/67/08/55/382670855.db2.gz CKJKOEVROHCZIF-PBHICJAKSA-N 0 3 288.391 2.574 20 30 CFEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000190667013 382676882 /nfs/dbraw/zinc/67/68/82/382676882.db2.gz QQMQKFQXBQIYKW-GOSISDBHSA-N 0 3 298.430 2.913 20 30 CFEDHN C[C@@H]1CCN(Cc2cc(C#N)cs2)CCS1 ZINC000190690826 382677817 /nfs/dbraw/zinc/67/78/17/382677817.db2.gz GJEIGIIJKINMOQ-SNVBAGLBSA-N 0 3 252.408 2.947 20 30 CFEDHN Cn1cc(CNCCc2c(F)cccc2F)cc1C#N ZINC000190792417 382680776 /nfs/dbraw/zinc/68/07/76/382680776.db2.gz AMGMEGLWVNOZDI-UHFFFAOYSA-N 0 3 275.302 2.507 20 30 CFEDHN N#CCc1ccc(CN[C@H]2COc3ccccc3C2)cc1 ZINC000399177084 382638022 /nfs/dbraw/zinc/63/80/22/382638022.db2.gz KBXGNSMVMMJOFG-QGZVFWFLSA-N 0 3 278.355 2.846 20 30 CFEDHN Cc1ccccc1OCCN(C)Cc1cc(C#N)n(C)c1 ZINC000191194513 382695316 /nfs/dbraw/zinc/69/53/16/382695316.db2.gz XTLLWOKRQKQLDH-UHFFFAOYSA-N 0 3 283.375 2.716 20 30 CFEDHN C[C@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(F)c1 ZINC000191216133 382695705 /nfs/dbraw/zinc/69/57/05/382695705.db2.gz PZDUBXPFXBGBDL-GFCCVEGCSA-N 0 3 287.338 2.593 20 30 CFEDHN COc1ccc(CCCN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191262076 382697178 /nfs/dbraw/zinc/69/71/78/382697178.db2.gz XQQYHOBEZPSTFD-UHFFFAOYSA-N 0 3 297.402 2.970 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(OCC(F)F)cc1 ZINC000191756669 382702380 /nfs/dbraw/zinc/70/23/80/382702380.db2.gz MXNAVAAREVZUBW-UHFFFAOYSA-N 0 3 285.334 2.965 20 30 CFEDHN COC(=O)[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000191789046 382702571 /nfs/dbraw/zinc/70/25/71/382702571.db2.gz UVKWWHMCBLAOLH-WWGRRREGSA-N 0 3 286.375 2.750 20 30 CFEDHN C=CCCCCCN1CCS[C@H]2COCC[C@@H]21 ZINC000193407234 382719642 /nfs/dbraw/zinc/71/96/42/382719642.db2.gz YZLXSDOABHHNBE-KBPBESRZSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@@H](C)CCc2ccccc2)C1=O ZINC000337126464 382764243 /nfs/dbraw/zinc/76/42/43/382764243.db2.gz FZZNCOQIKQSSRS-RDJZCZTQSA-N 0 3 286.419 2.726 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)CCc2ccccc2)C1=O ZINC000337126460 382764342 /nfs/dbraw/zinc/76/43/42/382764342.db2.gz FZZNCOQIKQSSRS-DOTOQJQBSA-N 0 3 286.419 2.726 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@]3(CC=CCC3)C2)C1=O ZINC000337183184 382772801 /nfs/dbraw/zinc/77/28/01/382772801.db2.gz NERJFZFFSMHRKB-DOTOQJQBSA-N 0 3 274.408 2.596 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C2CCC(CC)CC2)C1=O ZINC000337182719 382772817 /nfs/dbraw/zinc/77/28/17/382772817.db2.gz NANWMFSONHRCKA-YMAMQOFZSA-N 0 3 264.413 2.674 20 30 CFEDHN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000337193758 382774155 /nfs/dbraw/zinc/77/41/55/382774155.db2.gz UVDORGGZTALWSM-HUUCEWRRSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCN1CC[C@H](N2Cc3ccccc3C[C@H]2CC)C1=O ZINC000337212761 382778393 /nfs/dbraw/zinc/77/83/93/382778393.db2.gz VTTSNNRZRCYXJY-SJORKVTESA-N 0 3 284.403 2.610 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000337288035 382794811 /nfs/dbraw/zinc/79/48/11/382794811.db2.gz LIFLBXWQLIACAL-MNOVXSKESA-N 0 3 272.320 2.870 20 30 CFEDHN C#CCSCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000219221652 382792936 /nfs/dbraw/zinc/79/29/36/382792936.db2.gz HQQYHGHYJPPXDK-UHFFFAOYSA-N 0 3 284.768 2.704 20 30 CFEDHN CCC(CC)[C@@H](O)CNCc1cc(C#N)cs1 ZINC000224161346 382809475 /nfs/dbraw/zinc/80/94/75/382809475.db2.gz IQFCEBLBEWFBIB-ZDUSSCGKSA-N 0 3 252.383 2.506 20 30 CFEDHN C=C(C)CN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000337444899 382822027 /nfs/dbraw/zinc/82/20/27/382822027.db2.gz LBAHCINBNAAULT-INIZCTEOSA-N 0 3 268.360 2.755 20 30 CFEDHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)CCCCC#N ZINC000337457458 382824172 /nfs/dbraw/zinc/82/41/72/382824172.db2.gz PQEHBRLEJLLNIZ-OAHLLOKOSA-N 0 3 287.407 2.832 20 30 CFEDHN CC(C#N)C(=O)N[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000337584810 382845422 /nfs/dbraw/zinc/84/54/22/382845422.db2.gz QSVWLUBWBYFZFZ-ISTVAULSSA-N 0 3 262.740 2.851 20 30 CFEDHN COc1cc(CN[C@@H](CO)CCC(C)(C)C)ccc1C#N ZINC000441343494 382907881 /nfs/dbraw/zinc/90/78/81/382907881.db2.gz BLPDWLCMIZWKQR-OAHLLOKOSA-N 0 3 290.407 2.844 20 30 CFEDHN CS[C@@H]1CCCC[C@H]1NCc1ccc(C#N)o1 ZINC000230665463 382861759 /nfs/dbraw/zinc/86/17/59/382861759.db2.gz NSJYTYSTCOZKMB-CHWSQXEVSA-N 0 3 250.367 2.915 20 30 CFEDHN CCN(Cc1ccc(C#N)c(OC)c1)C[C@@H]1CCCO1 ZINC000233465243 382871179 /nfs/dbraw/zinc/87/11/79/382871179.db2.gz OBAKJVUDHYVPFU-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN Cc1cccc2oc(CCN[C@H]3CC[C@H](C#N)C3)nc21 ZINC000577818799 382871799 /nfs/dbraw/zinc/87/17/99/382871799.db2.gz DIZFYSSZQZTUON-STQMWFEESA-N 0 3 269.348 2.961 20 30 CFEDHN N#Cc1ccc(CN2CCCc3ccccc3CC2)nc1 ZINC000577884069 382874556 /nfs/dbraw/zinc/87/45/56/382874556.db2.gz AUWASSDLVVQECD-UHFFFAOYSA-N 0 3 277.371 2.944 20 30 CFEDHN COc1cc(CN(C)[C@@H]2CCSC2)ccc1C#N ZINC000234936750 382876025 /nfs/dbraw/zinc/87/60/25/382876025.db2.gz XKALBPRUGDDRQR-CYBMUJFWSA-N 0 3 262.378 2.504 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)N1C ZINC000235361810 382879700 /nfs/dbraw/zinc/87/97/00/382879700.db2.gz QAXLLEAAAQJVPD-ZIAGYGMSSA-N 0 3 251.418 2.731 20 30 CFEDHN COc1ccccc1SC[C@@H](C)CNC(=O)C(C)C#N ZINC000347119428 532960178 /nfs/dbraw/zinc/96/01/78/532960178.db2.gz XALCXWUMFPVKOC-NWDGAFQWSA-N 0 3 292.404 2.699 20 30 CFEDHN CC(C)(C#N)CCCN(CCO)Cc1cccc(F)c1 ZINC000494254587 382911235 /nfs/dbraw/zinc/91/12/35/382911235.db2.gz SLVJFUGOSJURLR-UHFFFAOYSA-N 0 3 278.371 2.950 20 30 CFEDHN CCC(C)(C)CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000441183095 382900008 /nfs/dbraw/zinc/90/00/08/382900008.db2.gz KOUZSVSLDRIFNG-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000338160035 382938539 /nfs/dbraw/zinc/93/85/39/382938539.db2.gz FPVHITCNKJKIHL-KGLIPLIRSA-N 0 3 299.418 2.717 20 30 CFEDHN C=CCN(CCCn1c2ccccc2[nH]c1=O)C1CC1 ZINC000540826184 382963798 /nfs/dbraw/zinc/96/37/98/382963798.db2.gz PRIUDFGTJUXLFC-UHFFFAOYSA-N 0 3 271.364 2.782 20 30 CFEDHN Cc1ccc(C#N)c(N2CCCN(C(C)(C)C)CC2)n1 ZINC000535035625 382945284 /nfs/dbraw/zinc/94/52/84/382945284.db2.gz KMYFPMXSNPQBDD-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000442709997 382946964 /nfs/dbraw/zinc/94/69/64/382946964.db2.gz BRKZAXNZSYOYKZ-WMLDXEAASA-N 0 3 297.402 2.591 20 30 CFEDHN CCN(Cc1c[nH]c2ccccc12)C(=O)C(C)C#N ZINC000442728549 382950291 /nfs/dbraw/zinc/95/02/91/382950291.db2.gz ZTZKMKGELPUNCZ-NSHDSACASA-N 0 3 255.321 2.676 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H](CCCO)c2ccccc2)C1 ZINC000442765901 382953180 /nfs/dbraw/zinc/95/31/80/382953180.db2.gz KBMKOELQSIWNSC-KBMXLJTQSA-N 0 3 258.365 2.782 20 30 CFEDHN OC[C@@H](NCC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000541051837 382964609 /nfs/dbraw/zinc/96/46/09/382964609.db2.gz PHENGZUWVHUQCW-QGZVFWFLSA-N 0 3 275.367 2.708 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2)[C@H](O)C(F)F)C1 ZINC000442781201 382955277 /nfs/dbraw/zinc/95/52/77/382955277.db2.gz OBSWTKGDJIVVPD-QPSCCSFWSA-N 0 3 294.345 2.506 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)s1)C1(C(=O)OC)CCC1 ZINC000421878131 382957773 /nfs/dbraw/zinc/95/77/73/382957773.db2.gz LQVSCCKKAMCQPE-CYBMUJFWSA-N 0 3 292.404 2.831 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)c1cccc(CO)c1 ZINC000421889183 382962057 /nfs/dbraw/zinc/96/20/57/382962057.db2.gz UIBGXCKLDNHZLG-LLVKDONJSA-N 0 3 272.373 2.963 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000533942318 382913890 /nfs/dbraw/zinc/91/38/90/382913890.db2.gz ZHKUKUOVZKCJLP-HZPDHXFCSA-N 0 3 286.419 2.804 20 30 CFEDHN C[C@@H]1C[C@H](C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441429285 382914145 /nfs/dbraw/zinc/91/41/45/382914145.db2.gz OMGXSGRXBHKLDZ-NWDGAFQWSA-N 0 3 282.347 2.839 20 30 CFEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495118758 382962552 /nfs/dbraw/zinc/96/25/52/382962552.db2.gz DEJDAXDTWRMLPC-DOTOQJQBSA-N 0 3 284.403 2.699 20 30 CFEDHN CN(CCC(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494710921 382922736 /nfs/dbraw/zinc/92/27/36/382922736.db2.gz MHUZHGYZXPCTLK-ZDUSSCGKSA-N 0 3 295.427 2.867 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000338134272 382929878 /nfs/dbraw/zinc/92/98/78/382929878.db2.gz WGASQIPIBQHRKG-UHFFFAOYSA-N 0 3 299.418 2.719 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](N)[C@@H](C)CC)c1 ZINC000236922400 382932322 /nfs/dbraw/zinc/93/23/22/382932322.db2.gz WTEHKNPJTJDHGS-FZMZJTMJSA-N 0 3 262.353 2.563 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000543748073 382972329 /nfs/dbraw/zinc/97/23/29/382972329.db2.gz JCPQYSCVQYZKGA-LSDHHAIUSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H]([C@H](C)O)C2)c1 ZINC000543748337 382972436 /nfs/dbraw/zinc/97/24/36/382972436.db2.gz GVAQVCKTCLWIRO-HOCLYGCPSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000543748070 382972480 /nfs/dbraw/zinc/97/24/80/382972480.db2.gz JCPQYSCVQYZKGA-CABCVRRESA-N 0 3 275.392 2.844 20 30 CFEDHN CC#CCCNC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000543607595 382972710 /nfs/dbraw/zinc/97/27/10/382972710.db2.gz KLWVFUQIJCWKBS-UHFFFAOYSA-N 0 3 284.403 2.814 20 30 CFEDHN C=CC[C@H]1N(C(=O)CN(C)CCC)CCCC1(C)C ZINC000444640516 382976215 /nfs/dbraw/zinc/97/62/15/382976215.db2.gz SDHSPIWPSRRFSS-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN COC(=O)C[C@@H]1CSCCN1CCCCC(C)(C)C#N ZINC000444644227 382976587 /nfs/dbraw/zinc/97/65/87/382976587.db2.gz VKSVOVYZPIBDDP-CYBMUJFWSA-N 0 3 298.452 2.687 20 30 CFEDHN C=CCCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444736528 382979614 /nfs/dbraw/zinc/97/96/14/382979614.db2.gz WHHMBLRSXAJDPT-WDEREUQCSA-N 0 3 251.292 2.588 20 30 CFEDHN CC#CCCN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495442175 382988866 /nfs/dbraw/zinc/98/88/66/382988866.db2.gz CFHPDSQVGVRWLT-QGZVFWFLSA-N 0 3 292.423 2.733 20 30 CFEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H]1C ZINC000245431935 383001009 /nfs/dbraw/zinc/00/10/09/383001009.db2.gz BACXIWROKOCVRE-GYMHETDLSA-N 0 3 291.439 2.790 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000579349182 383005556 /nfs/dbraw/zinc/00/55/56/383005556.db2.gz DLQXRRNTXNNKNV-MCIONIFRSA-N 0 3 280.412 2.978 20 30 CFEDHN CCCNC(=O)OC[C@H]1CCCCN1CCCCC#N ZINC000495643189 383006270 /nfs/dbraw/zinc/00/62/70/383006270.db2.gz YAYZSPASJAOTIU-CQSZACIVSA-N 0 3 281.400 2.671 20 30 CFEDHN C=C(Cl)CN[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495668782 383010740 /nfs/dbraw/zinc/01/07/40/383010740.db2.gz JSXRNEXMACDDPB-SNVBAGLBSA-N 0 3 274.792 2.584 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000447817269 383011446 /nfs/dbraw/zinc/01/14/46/383011446.db2.gz PJVQJLHCYDVVLA-ZDUSSCGKSA-N 0 3 292.814 2.561 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000443315104 382966658 /nfs/dbraw/zinc/96/66/58/382966658.db2.gz BZRDXPWZORRQOI-CKEIUWERSA-N 0 3 275.367 2.659 20 30 CFEDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000541949214 382967524 /nfs/dbraw/zinc/96/75/24/382967524.db2.gz RERNAFDWSFSDKI-GDBMZVCRSA-N 0 3 291.439 2.792 20 30 CFEDHN CC(C)(C)[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000542322407 382968950 /nfs/dbraw/zinc/96/89/50/382968950.db2.gz IRCXJPRAFUAPAM-AWEZNQCLSA-N 0 3 291.439 2.697 20 30 CFEDHN N#CCC1CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000542883422 382970785 /nfs/dbraw/zinc/97/07/85/382970785.db2.gz LFSNQPFFWJEPMZ-UHFFFAOYSA-N 0 3 296.374 2.905 20 30 CFEDHN N#CCCCCNCc1c(Cl)nc2ccccn21 ZINC000237803119 382971196 /nfs/dbraw/zinc/97/11/96/382971196.db2.gz TVDWIPHFOIXRTM-UHFFFAOYSA-N 0 3 262.744 2.771 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)s1 ZINC000245731846 383029159 /nfs/dbraw/zinc/02/91/59/383029159.db2.gz JXGDZSNIXLOKIN-SMDDNHRTSA-N 0 3 262.378 2.621 20 30 CFEDHN CC(C)(C)CCN1CCN(CCCCC#N)CC1 ZINC000338728641 383030763 /nfs/dbraw/zinc/03/07/63/383030763.db2.gz QLZDEXAOQCSKHX-UHFFFAOYSA-N 0 3 251.418 2.734 20 30 CFEDHN C=CCC1(C(=O)NCCN2CC[C@@H](C)C2)CCCC1 ZINC000579674082 383041300 /nfs/dbraw/zinc/04/13/00/383041300.db2.gz YCHNGIOTTSWWEE-CQSZACIVSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000245877953 383043039 /nfs/dbraw/zinc/04/30/39/383043039.db2.gz ATQZDLMWYTWBOP-HRCADAONSA-N 0 3 293.455 2.857 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000245877731 383043565 /nfs/dbraw/zinc/04/35/65/383043565.db2.gz ZNJWHEUCOHECML-PMPSAXMXSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@H](NCC2(C#N)CC2)CC1 ZINC000495957046 383046661 /nfs/dbraw/zinc/04/66/61/383046661.db2.gz KJORSJQOBWDEEY-ZDUSSCGKSA-N 0 3 293.411 2.669 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245965150 383054336 /nfs/dbraw/zinc/05/43/36/383054336.db2.gz VLCRUQBVUMFDLF-KFWWJZLASA-N 0 3 291.439 2.695 20 30 CFEDHN COCCN(Cc1cc(C#N)cs1)[C@H]1CCCSC1 ZINC000448352517 383056475 /nfs/dbraw/zinc/05/64/75/383056475.db2.gz DPVYCGSKSBFBMN-ZDUSSCGKSA-N 0 3 296.461 2.964 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000448448240 383060494 /nfs/dbraw/zinc/06/04/94/383060494.db2.gz ZQVCLMJERLUSII-FZMZJTMJSA-N 0 3 288.322 2.549 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000448448237 383060504 /nfs/dbraw/zinc/06/05/04/383060504.db2.gz ZQVCLMJERLUSII-BXUZGUMPSA-N 0 3 288.322 2.549 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc(C)c(C)s1 ZINC000448509357 383062231 /nfs/dbraw/zinc/06/22/31/383062231.db2.gz CQVBJHPEOIJLLG-UHFFFAOYSA-N 0 3 267.442 2.700 20 30 CFEDHN CC[C@@H]1CCCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000246265140 383069652 /nfs/dbraw/zinc/06/96/52/383069652.db2.gz ZKCOMKWZLOVPKU-HUUCEWRRSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CC[C@H](C)NCc1cc(OC)c(OC)cc1F ZINC000580778346 383080523 /nfs/dbraw/zinc/08/05/23/383080523.db2.gz VRIGHYDZPHMZOE-JTQLQIEISA-N 0 3 253.317 2.897 20 30 CFEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000246436134 383075789 /nfs/dbraw/zinc/07/57/89/383075789.db2.gz UCHKJPVJWCVVQB-GUXCAODWSA-N 0 3 290.432 2.728 20 30 CFEDHN C=CCCN1CCCC[C@H]1COC(=O)NC(C)C ZINC000495747197 383021371 /nfs/dbraw/zinc/02/13/71/383021371.db2.gz FVPIEMPUHFYLMK-ZDUSSCGKSA-N 0 3 254.374 2.552 20 30 CFEDHN CC#CCCNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000495777612 383025576 /nfs/dbraw/zinc/02/55/76/383025576.db2.gz NKWZJUHKDUPAEV-UHFFFAOYSA-N 0 3 295.408 2.993 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)Nc1ccccc1CN(C)C ZINC000579542490 383025884 /nfs/dbraw/zinc/02/58/84/383025884.db2.gz UEJXTVHQLZXARM-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN CC#CCCN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495788523 383026898 /nfs/dbraw/zinc/02/68/98/383026898.db2.gz SEFHSMPEXJIKSL-MRXNPFEDSA-N 0 3 280.412 2.637 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1 ZINC000590133101 383120607 /nfs/dbraw/zinc/12/06/07/383120607.db2.gz PUYDBZLNSDTWLT-MRXNPFEDSA-N 0 3 299.418 2.662 20 30 CFEDHN C=C(Cl)CN[C@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC000496905946 383127120 /nfs/dbraw/zinc/12/71/20/383127120.db2.gz CSNQNBQIIUNOEQ-NEPJUHHUSA-N 0 3 274.792 2.586 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H](CC)CCCC)C1=O ZINC000499993991 383136304 /nfs/dbraw/zinc/13/63/04/383136304.db2.gz DPTLYNJOIANARX-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@H](C1CCCCC1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000582134301 383085026 /nfs/dbraw/zinc/08/50/26/383085026.db2.gz VQMVQVLCGGEBQZ-DYVFJYSZSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCOCCN(C)CCCOc1ccccc1C ZINC000338922028 383087198 /nfs/dbraw/zinc/08/71/98/383087198.db2.gz WSASPWMZLZNZGC-UHFFFAOYSA-N 0 3 263.381 2.898 20 30 CFEDHN CO[C@@H]1CC[C@H]2OCCN(CCCC(C)(C)C#N)[C@@H]2C1 ZINC000246691689 383093846 /nfs/dbraw/zinc/09/38/46/383093846.db2.gz MXBVBAORLFZPOB-RBSFLKMASA-N 0 3 280.412 2.585 20 30 CFEDHN N#CCCCNC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000584109018 383094449 /nfs/dbraw/zinc/09/44/49/383094449.db2.gz HECQDFQQIBHRHI-KRWDZBQOSA-N 0 3 268.360 2.637 20 30 CFEDHN CC(C)[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000246795951 383104994 /nfs/dbraw/zinc/10/49/94/383104994.db2.gz SJDFDRRUHIEUFR-RHSMWYFYSA-N 0 3 291.439 2.553 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)[C@]1(C#N)C[C@H]1C)c1ccccc1 ZINC000448899489 383106210 /nfs/dbraw/zinc/10/62/10/383106210.db2.gz ODBGIIQGMSAYGV-GLJUWKHASA-N 0 3 299.418 2.782 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000448920181 383106838 /nfs/dbraw/zinc/10/68/38/383106838.db2.gz GEXZWSMDTCWDIW-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCc1cc(CN(CCOC)C2CC2)cc(OC)c1O ZINC000507151843 383144919 /nfs/dbraw/zinc/14/49/19/383144919.db2.gz LJDPTHWHNMTUDP-UHFFFAOYSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CC(C)(C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000448932081 383109332 /nfs/dbraw/zinc/10/93/32/383109332.db2.gz GKPOLXKKBKONOH-BETUJISGSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCN(CCCN(C)c1ccccc1)CCOC ZINC000584526710 383110648 /nfs/dbraw/zinc/11/06/48/383110648.db2.gz DYZOLFQCLBDMFH-UHFFFAOYSA-N 0 3 262.397 2.647 20 30 CFEDHN CC[C@H](CC#N)NCCCOc1ccc(OC)cc1 ZINC000584538703 383111574 /nfs/dbraw/zinc/11/15/74/383111574.db2.gz YHUILPUOOIXXID-CYBMUJFWSA-N 0 3 262.353 2.746 20 30 CFEDHN C=CCOc1cccc(CN(CCOC)C2CC2)c1 ZINC000507151436 383145137 /nfs/dbraw/zinc/14/51/37/383145137.db2.gz FUYWLEVKJIUZAD-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@@H](NCC1(C#N)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000339164042 383172578 /nfs/dbraw/zinc/17/25/78/383172578.db2.gz AKERFPMHWTZMKB-LLVKDONJSA-N 0 3 289.345 2.543 20 30 CFEDHN C=C(C)COCCNCc1ccc2c(c1)OCCCCO2 ZINC000449192653 383182008 /nfs/dbraw/zinc/18/20/08/383182008.db2.gz UQSURKRBORIMIC-UHFFFAOYSA-N 0 3 291.391 2.920 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC(C)(C)CC1 ZINC000339258956 383187124 /nfs/dbraw/zinc/18/71/24/383187124.db2.gz LDWLAJLGZCIHQT-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(C)(C)C ZINC000339258680 383187190 /nfs/dbraw/zinc/18/71/90/383187190.db2.gz XTHKYJAAFNXZNV-CYBMUJFWSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCC[C@H](O)CN1CCCC[C@H]1c1cccn1C ZINC000247678582 383190277 /nfs/dbraw/zinc/19/02/77/383190277.db2.gz ZLEHPNWOZJVOST-HOCLYGCPSA-N 0 3 262.397 2.879 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCCCC1 ZINC000339349494 383191282 /nfs/dbraw/zinc/19/12/82/383191282.db2.gz NNUUBXSJZGCGRQ-HNNXBMFYSA-N 0 3 256.349 2.771 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000424606033 383208549 /nfs/dbraw/zinc/20/85/49/383208549.db2.gz IVUSXRZJWRSTOS-ZIAGYGMSSA-N 0 3 266.429 2.825 20 30 CFEDHN N#CCSCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000555288679 383148268 /nfs/dbraw/zinc/14/82/68/383148268.db2.gz GZZZSDRPKIFTCF-LLVKDONJSA-N 0 3 296.358 2.677 20 30 CFEDHN C=CCCCCN1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000556266787 383150763 /nfs/dbraw/zinc/15/07/63/383150763.db2.gz DRFVLCIKGZPKNZ-LSDHHAIUSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CCCCCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000556220146 383150856 /nfs/dbraw/zinc/15/08/56/383150856.db2.gz KZOOYTVOAQGZPY-QWRGUYRKSA-N 0 3 251.292 2.730 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(C)cccc1C ZINC000556330677 383151156 /nfs/dbraw/zinc/15/11/56/383151156.db2.gz JCEVVBGDJKFQHV-CABCVRRESA-N 0 3 288.391 2.565 20 30 CFEDHN COCC[C@@H](Cc1cccc(F)c1)NCC1(C#N)CC1 ZINC000515029847 383157750 /nfs/dbraw/zinc/15/77/50/383157750.db2.gz BTPGOVCDNHVYMQ-HNNXBMFYSA-N 0 3 276.355 2.667 20 30 CFEDHN C=CCCCCN(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000562532767 383159835 /nfs/dbraw/zinc/15/98/35/383159835.db2.gz NUCGIABYLKVBQD-ZDUSSCGKSA-N 0 3 296.436 2.683 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc2ccccc2nc1OC ZINC000562671167 383160724 /nfs/dbraw/zinc/16/07/24/383160724.db2.gz TUAQYJKKUOEGCR-HNNXBMFYSA-N 0 3 286.375 2.660 20 30 CFEDHN C=C(C)[C@H](NCC[C@@H]1CCNC1=O)c1ccc(F)c(F)c1 ZINC000516082884 383162277 /nfs/dbraw/zinc/16/22/77/383162277.db2.gz GWKSGACDBIOWQU-ABAIWWIYSA-N 0 3 294.345 2.698 20 30 CFEDHN Cc1ccn(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000339138881 383162367 /nfs/dbraw/zinc/16/23/67/383162367.db2.gz ZWLATCWGLKJDPA-ZFWWWQNUSA-N 0 3 258.369 2.521 20 30 CFEDHN CC(C)[C@H](CO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000516267618 383163243 /nfs/dbraw/zinc/16/32/43/383163243.db2.gz JDCTWOFXDVPFCE-YPMHNXCESA-N 0 3 264.344 2.612 20 30 CFEDHN CC(C)[C@H](NC[C@@H](C#N)CCC#N)C1(CO)CCCC1 ZINC000563138019 383165585 /nfs/dbraw/zinc/16/55/85/383165585.db2.gz MJKJOHNNKOESAC-CABCVRRESA-N 0 3 277.412 2.597 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCCN1Cc1ccccc1 ZINC000563759896 383167448 /nfs/dbraw/zinc/16/74/48/383167448.db2.gz ZQEHIIVTCYUUPU-ZWKOTPCHSA-N 0 3 296.418 2.684 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Cl)cn1 ZINC000563863661 383168642 /nfs/dbraw/zinc/16/86/42/383168642.db2.gz ZCNIIEQURWZLBY-OLZOCXBDSA-N 0 3 252.745 2.558 20 30 CFEDHN CCOc1ccc(Cl)cc1CCNC(=O)C(C)C#N ZINC000339612708 383262432 /nfs/dbraw/zinc/26/24/32/383262432.db2.gz GFCMMRAWHXCZDP-JTQLQIEISA-N 0 3 280.755 2.557 20 30 CFEDHN CCCC[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000567431531 383274752 /nfs/dbraw/zinc/27/47/52/383274752.db2.gz OSMMLSCCXRJRHJ-HIFRSBDPSA-N 0 3 267.417 2.551 20 30 CFEDHN COc1cccc2c1CCN(Cc1ccc(C#N)cn1)CC2 ZINC000520833225 383276936 /nfs/dbraw/zinc/27/69/36/383276936.db2.gz QRVJTWRMUGKQEK-UHFFFAOYSA-N 0 3 293.370 2.563 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC=C(C)CC1 ZINC000339660135 383277728 /nfs/dbraw/zinc/27/77/28/383277728.db2.gz SNEFYHFLVNVPSL-KRWDZBQOSA-N 0 3 287.403 2.807 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000449493076 383330122 /nfs/dbraw/zinc/33/01/22/383330122.db2.gz KOYWSBRMSKUBPA-CZUORRHYSA-N 0 3 258.365 2.805 20 30 CFEDHN C[C@@H]1C[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000425246726 383349004 /nfs/dbraw/zinc/34/90/04/383349004.db2.gz YOMDLBWISMJVGO-PWSUYJOCSA-N 0 3 286.335 2.504 20 30 CFEDHN CC[C@@H](C(=O)N1CCC(CCC#N)CC1)N(CC)CC ZINC000567947066 383336005 /nfs/dbraw/zinc/33/60/05/383336005.db2.gz INAFPIQYLZKKIK-HNNXBMFYSA-N 0 3 279.428 2.649 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000567994437 383341173 /nfs/dbraw/zinc/34/11/73/383341173.db2.gz MEVZVRCRZUFOGI-XBFCOCLRSA-N 0 3 271.320 2.745 20 30 CFEDHN CCO[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000449504924 383341424 /nfs/dbraw/zinc/34/14/24/383341424.db2.gz YUGKYSJGROQWRC-BXUZGUMPSA-N 0 3 264.394 2.867 20 30 CFEDHN Cc1cc(N2CCN(C3CCC(C)CC3)CC2)c(C#N)cn1 ZINC000425222116 383343336 /nfs/dbraw/zinc/34/33/36/383343336.db2.gz GMAATNXPVZDLLX-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)o1 ZINC000449451447 383301089 /nfs/dbraw/zinc/30/10/89/383301089.db2.gz IVJMWCGNNBXQCM-XHSDSOJGSA-N 0 3 274.364 2.667 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000339755375 383305897 /nfs/dbraw/zinc/30/58/97/383305897.db2.gz GUOUSJQPZLVGAW-UHFFFAOYSA-N 0 3 264.756 2.624 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000449478503 383320625 /nfs/dbraw/zinc/32/06/25/383320625.db2.gz YKMKRLRHPHZJNS-RRFJBIMHSA-N 0 3 276.405 2.745 20 30 CFEDHN C=CC(C)(C)CNCc1cnnn1Cc1ccccc1 ZINC000449485902 383325143 /nfs/dbraw/zinc/32/51/43/383325143.db2.gz OYWYSOGCGXVVPJ-UHFFFAOYSA-N 0 3 270.380 2.628 20 30 CFEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC2(C#N)CCC2)C1 ZINC000450292873 383388817 /nfs/dbraw/zinc/38/88/17/383388817.db2.gz WFAQXJZDFGMHNI-GJZGRUSLSA-N 0 3 291.439 2.697 20 30 CFEDHN CS[C@@H]1CCC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000568384018 383395945 /nfs/dbraw/zinc/39/59/45/383395945.db2.gz RUPDOJUJAMJJPV-FRRDWIJNSA-N 0 3 251.399 2.694 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000426455297 383399806 /nfs/dbraw/zinc/39/98/06/383399806.db2.gz BEXRFSRFCMLVCZ-KRWDZBQOSA-N 0 3 272.392 2.737 20 30 CFEDHN CC[C@@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000568587881 383416143 /nfs/dbraw/zinc/41/61/43/383416143.db2.gz UUQGJAZVUAWCHP-MRXNPFEDSA-N 0 3 276.811 2.718 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(SC)c(OC)c1 ZINC000449701445 383362055 /nfs/dbraw/zinc/36/20/55/383362055.db2.gz WJNRSWSPCYPJIO-CYBMUJFWSA-N 0 3 281.421 2.834 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H]2CCCN(C)C2)CCCC1 ZINC000449996064 383375283 /nfs/dbraw/zinc/37/52/83/383375283.db2.gz NZEDUKCKSVPDSY-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)COc1cc(CN2C[C@H](O)C[C@@H]2C)ccc1OC ZINC000471802620 383378661 /nfs/dbraw/zinc/37/86/61/383378661.db2.gz DCHGQMJILYQJMU-DZGCQCFKSA-N 0 3 291.391 2.605 20 30 CFEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000475508881 383387057 /nfs/dbraw/zinc/38/70/57/383387057.db2.gz AUPHJEDYBLAQKZ-JKIFEVAISA-N 0 3 297.402 2.589 20 30 CFEDHN C=CCN1CCC(NCc2nc3cc(F)ccc3o2)CC1 ZINC000634959893 383427406 /nfs/dbraw/zinc/42/74/06/383427406.db2.gz DPUILGZAYIRQBZ-UHFFFAOYSA-N 0 3 289.354 2.707 20 30 CFEDHN C[C@H]1CCN(CCOc2ccccc2C#N)C[C@H]1C ZINC000252727738 383430008 /nfs/dbraw/zinc/43/00/08/383430008.db2.gz OPKFLJJDARTIRC-UONOGXRCSA-N 0 3 258.365 2.915 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CCN(C2CC2)C[C@H](C)C1 ZINC000450551260 383458027 /nfs/dbraw/zinc/45/80/27/383458027.db2.gz ZGYGSGOORWCULP-ZDUSSCGKSA-N 0 3 297.402 2.681 20 30 CFEDHN CN(Cc1cccc(F)c1C#N)C1CCC(CO)CC1 ZINC000428379693 383461567 /nfs/dbraw/zinc/46/15/67/383461567.db2.gz KHESREIISLTGHO-UHFFFAOYSA-N 0 3 276.355 2.680 20 30 CFEDHN COC(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000569172597 383473960 /nfs/dbraw/zinc/47/39/60/383473960.db2.gz XGMJPLSIAUHPOR-UHFFFAOYSA-N 0 3 294.354 2.943 20 30 CFEDHN CCC(CC)CN(CCC#N)CC1(C(=O)OC)CC1 ZINC000450462898 383421143 /nfs/dbraw/zinc/42/11/43/383421143.db2.gz KGWKUWRQKOVGLR-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN CC(C#N)C(=O)NCc1nc(-c2ccccc2F)cs1 ZINC000428555467 383491934 /nfs/dbraw/zinc/49/19/34/383491934.db2.gz BEMLWABWJGEHAW-SECBINFHSA-N 0 3 289.335 2.725 20 30 CFEDHN CS[C@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1N(C)C ZINC000340756566 383493570 /nfs/dbraw/zinc/49/35/70/383493570.db2.gz VUUPRRXRIWSFOJ-KGLIPLIRSA-N 0 3 295.839 2.693 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000340898258 383498802 /nfs/dbraw/zinc/49/88/02/383498802.db2.gz HBJADYODWVFDLG-SOUVJXGZSA-N 0 3 274.339 2.766 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1c1ccc(Cl)c(C#N)n1 ZINC000450823218 383504913 /nfs/dbraw/zinc/50/49/13/383504913.db2.gz CAOQMJOZUZYFKC-LLVKDONJSA-N 0 3 278.787 2.527 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CSC)C1 ZINC000429278556 383509095 /nfs/dbraw/zinc/50/90/95/383509095.db2.gz YGYPPODLHFGOLQ-HUUCEWRRSA-N 0 3 296.480 2.651 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1ncccc1[O-] ZINC000569769640 383535231 /nfs/dbraw/zinc/53/52/31/383535231.db2.gz ZGKHJMNERYHDJQ-UHFFFAOYSA-N 0 3 258.321 2.611 20 30 CFEDHN C=CC[N@@H+](CCc1ccco1)Cc1ncccc1[O-] ZINC000569769640 383535237 /nfs/dbraw/zinc/53/52/37/383535237.db2.gz ZGKHJMNERYHDJQ-UHFFFAOYSA-N 0 3 258.321 2.611 20 30 CFEDHN C=CC[N@H+](CCc1ccco1)Cc1ncccc1[O-] ZINC000569769640 383535241 /nfs/dbraw/zinc/53/52/41/383535241.db2.gz ZGKHJMNERYHDJQ-UHFFFAOYSA-N 0 3 258.321 2.611 20 30 CFEDHN CCC(CC)N(CCOC)Cc1ccc(C#N)cn1 ZINC000569863227 383544661 /nfs/dbraw/zinc/54/46/61/383544661.db2.gz MYZUDOXRYOZPMF-UHFFFAOYSA-N 0 3 261.369 2.590 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1CCCC[C@H]1C ZINC000429829733 383572326 /nfs/dbraw/zinc/57/23/26/383572326.db2.gz OKPNOOFOSAUMAW-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN COCCC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000528577593 383583129 /nfs/dbraw/zinc/58/31/29/383583129.db2.gz PFLXVWXYBULFPI-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN N#CCC1(CNCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000430042393 383585917 /nfs/dbraw/zinc/58/59/17/383585917.db2.gz PXWLFFJHCBHHHQ-UHFFFAOYSA-N 0 3 292.766 2.895 20 30 CFEDHN Cc1cc(CN[C@H]2CCO[C@@H]2C2CC2)ccc1C#N ZINC000488996468 383589961 /nfs/dbraw/zinc/58/99/61/383589961.db2.gz MOLWNZJEVHIRMT-JKSUJKDBSA-N 0 3 256.349 2.524 20 30 CFEDHN N#CC(C(=O)c1c[nH]c(C(F)(F)F)c1)c1ccccn1 ZINC000429682924 383557493 /nfs/dbraw/zinc/55/74/93/383557493.db2.gz HPTNXOZFPPCCIZ-VIFPVBQESA-N 0 3 279.221 2.919 20 30 CFEDHN C[C@@H]1CC[C@H](N(CCO)Cc2cc(C#N)ccc2F)C1 ZINC000429774206 383568728 /nfs/dbraw/zinc/56/87/28/383568728.db2.gz MNRTWMDLJBDILB-DOMZBBRYSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000429810957 383571386 /nfs/dbraw/zinc/57/13/86/383571386.db2.gz QFAFJHUUWHQZRL-ZIAGYGMSSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528784859 383637370 /nfs/dbraw/zinc/63/73/70/383637370.db2.gz UATMBTHAGXGNTQ-DTGLCGDCSA-N 0 3 288.416 2.605 20 30 CFEDHN N#CC1(CCN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CCCCC1 ZINC000528789624 383638624 /nfs/dbraw/zinc/63/86/24/383638624.db2.gz RMMCSLODEHSMOV-QEEYODRMSA-N 0 3 294.464 2.836 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451506507 383631820 /nfs/dbraw/zinc/63/18/20/383631820.db2.gz VVDSJFJNCUSEFJ-LYRGGWFBSA-N 0 3 288.391 2.716 20 30 CFEDHN CC(C)CNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433018147 383752904 /nfs/dbraw/zinc/75/29/04/383752904.db2.gz FGONKYVQQLQLRB-MRXNPFEDSA-N 0 3 287.407 2.783 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2ccccc2)C1 ZINC000433048524 383754233 /nfs/dbraw/zinc/75/42/33/383754233.db2.gz NMNNDCMJZNPLDQ-GDBMZVCRSA-N 0 3 272.392 2.557 20 30 CFEDHN C[C@@H]1COCC[C@H]1NCC#Cc1ccccc1Cl ZINC000433145279 383755243 /nfs/dbraw/zinc/75/52/43/383755243.db2.gz GSHPTCFKQABXEH-IUODEOHRSA-N 0 3 263.768 2.706 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433225553 383756270 /nfs/dbraw/zinc/75/62/70/383756270.db2.gz JAPFGKDUFVPHFP-DOMZBBRYSA-N 0 3 256.349 2.674 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(O)c1 ZINC000433341216 383761437 /nfs/dbraw/zinc/76/14/37/383761437.db2.gz HCZCHIUTDKKCEB-MRXNPFEDSA-N 0 3 294.354 2.781 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1cccc(O)c1 ZINC000433341215 383761754 /nfs/dbraw/zinc/76/17/54/383761754.db2.gz HCZCHIUTDKKCEB-INIZCTEOSA-N 0 3 294.354 2.781 20 30 CFEDHN CCn1ccnc1[C@H](C)NCCc1cccc(C#N)c1 ZINC000453213854 383804414 /nfs/dbraw/zinc/80/44/14/383804414.db2.gz MJOZMSOWDDTYHI-ZDUSSCGKSA-N 0 3 268.364 2.668 20 30 CFEDHN C#CCCOc1ccc(CNCCOCC2CC2)cc1 ZINC000264946558 383806167 /nfs/dbraw/zinc/80/61/67/383806167.db2.gz ITBIIORKWSMUNX-UHFFFAOYSA-N 0 3 273.376 2.605 20 30 CFEDHN C=CCC[C@H](O)CNC1(c2ccccc2OC)CC1 ZINC000646000522 383814630 /nfs/dbraw/zinc/81/46/30/383814630.db2.gz LJHNSIPKBGNDJS-ZDUSSCGKSA-N 0 3 261.365 2.601 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCCc1nccs1 ZINC000435930089 383781243 /nfs/dbraw/zinc/78/12/43/383781243.db2.gz VTYNDJWWBPIOGB-CQSZACIVSA-N 0 3 299.399 2.574 20 30 CFEDHN C[C@@H](NCC1([S@@](C)=O)CCC1)c1cccc(C#N)c1 ZINC000280977835 195055180 /nfs/dbraw/zinc/05/51/80/195055180.db2.gz IWBBFQMIQJOESC-CWTRNNRKSA-N 0 3 276.405 2.510 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000264832649 383788382 /nfs/dbraw/zinc/78/83/82/383788382.db2.gz ZMMZWGDBIFECOV-IAGOWNOFSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(c2ccncc2)CC1 ZINC000640445338 383795919 /nfs/dbraw/zinc/79/59/19/383795919.db2.gz UIQSAJJPCIVZEN-KRWDZBQOSA-N 0 3 287.407 2.723 20 30 CFEDHN C#CCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000192124319 533016305 /nfs/dbraw/zinc/01/63/05/533016305.db2.gz CAOZHAFYDREKEG-QGZVFWFLSA-N 0 3 284.403 2.571 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC3(CC3)CC2)CC1 ZINC000636740811 383877284 /nfs/dbraw/zinc/87/72/84/383877284.db2.gz RDKKIHWJQKCURX-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(Cl)cc1F ZINC000437760780 383909095 /nfs/dbraw/zinc/90/90/95/383909095.db2.gz FLPUMORHHHZGNC-SNVBAGLBSA-N 0 3 257.736 2.753 20 30 CFEDHN C=CCCCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000265431096 383914325 /nfs/dbraw/zinc/91/43/25/383914325.db2.gz FUHRYQQVVSHHGR-HNNXBMFYSA-N 0 3 258.365 2.516 20 30 CFEDHN Cc1ccc([C@H](CNc2nc(C)cc(C#N)n2)N(C)C)cc1 ZINC000281038116 195079425 /nfs/dbraw/zinc/07/94/25/195079425.db2.gz VETSFWIRDJBESJ-INIZCTEOSA-N 0 3 295.390 2.680 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)c2cc(C#N)cs2)cc1 ZINC000438274532 383978472 /nfs/dbraw/zinc/97/84/72/383978472.db2.gz SSOJBIWYEOVNOC-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cc(C#N)cs1 ZINC000438066617 383940590 /nfs/dbraw/zinc/94/05/90/383940590.db2.gz QYFYKOFOSDLVED-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCc1cc(C#N)ccc1F ZINC000573566832 383951116 /nfs/dbraw/zinc/95/11/16/383951116.db2.gz FWQNGZSZHONLPT-ABAIWWIYSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000573694998 383974912 /nfs/dbraw/zinc/97/49/12/383974912.db2.gz JCKIIXSQFCZPBB-SHTZXODSSA-N 0 3 261.365 2.684 20 30 CFEDHN C=CCCN(C)Cc1cc(OC)c(OC)cc1OC ZINC000265845626 384015864 /nfs/dbraw/zinc/01/58/64/384015864.db2.gz XSIOZYOEDIARCK-UHFFFAOYSA-N 0 3 265.353 2.720 20 30 CFEDHN C#CCSCCNCc1cccc(OCCCOC)c1 ZINC000265827407 384010268 /nfs/dbraw/zinc/01/02/68/384010268.db2.gz ZKOYWMZZWDQPNG-UHFFFAOYSA-N 0 3 293.432 2.558 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3c2CCCCC3)CC1 ZINC000439105909 384031974 /nfs/dbraw/zinc/03/19/74/384031974.db2.gz FIVNPLMMCIKSSC-UHFFFAOYSA-N 0 3 286.423 2.808 20 30 CFEDHN C=CCCOCC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000646694029 384056094 /nfs/dbraw/zinc/05/60/94/384056094.db2.gz CUCFXTSGLCDHLQ-INIZCTEOSA-N 0 3 290.407 2.519 20 30 CFEDHN C#CCOc1ccccc1CNCC(C)(C)C[C@@H](C)O ZINC000266141188 384091594 /nfs/dbraw/zinc/09/15/94/384091594.db2.gz HIAMVNVKBMMCGL-CQSZACIVSA-N 0 3 275.392 2.585 20 30 CFEDHN COc1cc(CNCCc2nc(C)oc2C)ccc1C#N ZINC000440631107 384117251 /nfs/dbraw/zinc/11/72/51/384117251.db2.gz VSSBIQLJXDJPSC-UHFFFAOYSA-N 0 3 285.347 2.504 20 30 CFEDHN N#Cc1ccc(Cl)cc1N1CC[C@H](N2CC=CC2)C1 ZINC000266229712 384123385 /nfs/dbraw/zinc/12/33/85/384123385.db2.gz JIBWFHPJEWSYJU-AWEZNQCLSA-N 0 3 273.767 2.662 20 30 CFEDHN C=CCCC[C@H](C)n1cc([C@H](N)C2CCOCC2)nn1 ZINC000641232595 384140307 /nfs/dbraw/zinc/14/03/07/384140307.db2.gz HCOKYFXGWIXDPI-SWLSCSKDSA-N 0 3 278.400 2.622 20 30 CFEDHN CC[C@@H]1CN(Cc2ccc(OCC#N)cc2)CCS1 ZINC000266564383 384199146 /nfs/dbraw/zinc/19/91/46/384199146.db2.gz NSUIWDRFQXHACK-OAHLLOKOSA-N 0 3 276.405 2.916 20 30 CFEDHN C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)C(C)(C)C1 ZINC000266914450 384260988 /nfs/dbraw/zinc/26/09/88/384260988.db2.gz FFCXSSMINZXXIE-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000266930465 384263085 /nfs/dbraw/zinc/26/30/85/384263085.db2.gz OMYHBQIDWAJWFO-HNNXBMFYSA-N 0 3 296.374 2.540 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000641768763 384335551 /nfs/dbraw/zinc/33/55/51/384335551.db2.gz HJEUCDYPYSRTDC-AWEZNQCLSA-N 0 3 286.400 2.674 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C(F)(F)F)cc1 ZINC000641768886 384335577 /nfs/dbraw/zinc/33/55/77/384335577.db2.gz KWTPHQSAQVSPNT-CYBMUJFWSA-N 0 3 271.282 2.569 20 30 CFEDHN N#Cc1ccc(N2CCCN(Cc3ccccc3)CC2)cn1 ZINC000267345312 384362617 /nfs/dbraw/zinc/36/26/17/384362617.db2.gz FJIWQOQUNGEAQX-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN C[C@H]1C[C@H](N(C)c2ccc(Cl)c(C#N)n2)CCN1C ZINC000267231426 384330881 /nfs/dbraw/zinc/33/08/81/384330881.db2.gz PYHLWNXJTPXKML-WDEREUQCSA-N 0 3 278.787 2.526 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(F)cc1C(F)(F)F ZINC000641766916 384333564 /nfs/dbraw/zinc/33/35/64/384333564.db2.gz DYLZNAZJRAISNB-LBPRGKRZSA-N 0 3 289.272 2.708 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(OCCC)cc1C ZINC000641767122 384333738 /nfs/dbraw/zinc/33/37/38/384333738.db2.gz HEAKBJASTHQPDB-MRXNPFEDSA-N 0 3 275.392 2.648 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C)c(Br)c1 ZINC000641767732 384333812 /nfs/dbraw/zinc/33/38/12/384333812.db2.gz PXHNIELMZMTISA-CYBMUJFWSA-N 0 3 296.208 2.621 20 30 CFEDHN CC#CC[C@@H](CO)NCc1c(C)oc2ccccc21 ZINC000641767412 384334228 /nfs/dbraw/zinc/33/42/28/384334228.db2.gz KKHRUVMOEKZPIG-ZDUSSCGKSA-N 0 3 257.333 2.605 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(CCC)s1 ZINC000641768151 384334879 /nfs/dbraw/zinc/33/48/79/384334879.db2.gz XMMBKCYDIIHSHL-LBPRGKRZSA-N 0 3 251.395 2.565 20 30 CFEDHN C=CC1CCN(Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000638072236 384393094 /nfs/dbraw/zinc/39/30/94/384393094.db2.gz LBJFYMXYMKQEBC-UHFFFAOYSA-N 0 3 272.348 2.530 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc[nH]c1C)C(C)C ZINC000267413838 384384391 /nfs/dbraw/zinc/38/43/91/384384391.db2.gz RAJHCGMTSFYMJV-INIZCTEOSA-N 0 3 289.423 2.752 20 30 CFEDHN Cc1c(Cl)cnc(N(CCN(C)C)C(C)C)c1C#N ZINC000277876494 384431220 /nfs/dbraw/zinc/43/12/20/384431220.db2.gz VTBPFLKOWIXHFI-UHFFFAOYSA-N 0 3 280.803 2.692 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000643253764 384529115 /nfs/dbraw/zinc/52/91/15/384529115.db2.gz DXOLHTRJGXTJBH-WDEREUQCSA-N 0 3 251.292 2.588 20 30 CFEDHN C[C@@]1(NCc2ccc(F)c(C#N)c2)CCO[C@@H]1C1CC1 ZINC000374633572 220324762 /nfs/dbraw/zinc/32/47/62/220324762.db2.gz WFPYSVVCDXNBPQ-HZPDHXFCSA-N 0 3 274.339 2.745 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OCc2ccncc2)c(OC)c1 ZINC000289338525 197302599 /nfs/dbraw/zinc/30/25/99/197302599.db2.gz HONUMDOMPQTCIR-CQSZACIVSA-N 0 3 296.370 2.781 20 30 CFEDHN CCC[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000268131300 384538499 /nfs/dbraw/zinc/53/84/99/384538499.db2.gz CLKLJRBSPLMTQE-KRWDZBQOSA-N 0 3 299.418 2.687 20 30 CFEDHN C#C[C@H](NCc1cncc(Br)c1)C(C)C ZINC000289321727 197296972 /nfs/dbraw/zinc/29/69/72/197296972.db2.gz FTEVPMUMVAJQKS-LBPRGKRZSA-N 0 3 267.170 2.592 20 30 CFEDHN CC#CCN1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268342531 384608570 /nfs/dbraw/zinc/60/85/70/384608570.db2.gz AMYIJAGCIAVNTO-LSDHHAIUSA-N 0 3 261.365 2.971 20 30 CFEDHN CN1CC[C@@H]2[C@@H](CCCN2c2nc(Cl)c(C#N)s2)C1 ZINC000278764855 384595309 /nfs/dbraw/zinc/59/53/09/384595309.db2.gz UBDNPZYFCKJMOT-VHSXEESVSA-N 0 3 296.827 2.589 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000638453847 384673011 /nfs/dbraw/zinc/67/30/11/384673011.db2.gz AMXVBFPVKHODIR-CQSZACIVSA-N 0 3 278.371 2.587 20 30 CFEDHN C=CCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000279683415 384721852 /nfs/dbraw/zinc/72/18/52/384721852.db2.gz FMPAQVSVMKDQRK-HNNXBMFYSA-N 0 3 276.355 2.701 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1C[C@@H](C)O ZINC000279718141 384735812 /nfs/dbraw/zinc/73/58/12/384735812.db2.gz IQMCVVHTVVXSAD-CJNGLKHVSA-N 0 3 288.391 2.692 20 30 CFEDHN Cc1oc(NC(=O)CN(C)[C@@H](C)C(C)C)c(C#N)c1C ZINC000269375278 384751106 /nfs/dbraw/zinc/75/11/06/384751106.db2.gz ZPSOMAOABPTHHE-NSHDSACASA-N 0 3 277.368 2.683 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCCC2 ZINC000643793956 384763945 /nfs/dbraw/zinc/76/39/45/384763945.db2.gz NVTRYMPINSLGRF-AAEUAGOBSA-N 0 3 278.421 2.703 20 30 CFEDHN C#CCN(CC)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000269493069 384768106 /nfs/dbraw/zinc/76/81/06/384768106.db2.gz ZCNNUCZVFPQPAP-CQSZACIVSA-N 0 3 285.309 2.564 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1NCC1(C)C ZINC000643983587 384802101 /nfs/dbraw/zinc/80/21/01/384802101.db2.gz IFODPGMEYVRJNZ-LBPRGKRZSA-N 0 3 298.839 2.914 20 30 CFEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000269850535 384881810 /nfs/dbraw/zinc/88/18/10/384881810.db2.gz XNWVXRZZSXMKDX-HUUCEWRRSA-N 0 3 299.418 2.542 20 30 CFEDHN C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000269850530 384881957 /nfs/dbraw/zinc/88/19/57/384881957.db2.gz XNWVXRZZSXMKDX-CABCVRRESA-N 0 3 299.418 2.542 20 30 CFEDHN C#CCOc1ccc(CN2CCCO[C@H](CC)C2)cc1 ZINC000281164722 195130886 /nfs/dbraw/zinc/13/08/86/195130886.db2.gz GJSCPSJSXKJKMS-MRXNPFEDSA-N 0 3 273.376 2.700 20 30 CFEDHN CC(C)CC[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000280264721 384949630 /nfs/dbraw/zinc/94/96/30/384949630.db2.gz QAUCRPJVVBOXTI-INIZCTEOSA-N 0 3 272.392 2.934 20 30 CFEDHN CN(C)CCN(Cc1cccc(F)c1)c1cccc(C#N)n1 ZINC000270042830 384956399 /nfs/dbraw/zinc/95/63/99/384956399.db2.gz JTTUUWONPACQIM-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN CN(C)[C@H](CNc1cnccc1C#N)c1cccs1 ZINC000270003142 384937304 /nfs/dbraw/zinc/93/73/04/384937304.db2.gz YUDNGPOCPKEVIQ-CYBMUJFWSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc2ccc(F)c(F)c2n1 ZINC000638828318 384960132 /nfs/dbraw/zinc/96/01/32/384960132.db2.gz BVCQIOLCYSWTOU-LLVKDONJSA-N 0 3 292.329 2.787 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000270099704 384977585 /nfs/dbraw/zinc/97/75/85/384977585.db2.gz LSVHJQZKKRQBKZ-ZACQAIPSSA-N 0 3 282.387 2.996 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000638875186 385008933 /nfs/dbraw/zinc/00/89/33/385008933.db2.gz OASSQKIWNZJFRK-DYVFJYSZSA-N 0 3 296.455 2.628 20 30 CFEDHN C#CCCOc1ccc(CNCCOCCC=C)cc1 ZINC000270210479 385016998 /nfs/dbraw/zinc/01/69/98/385016998.db2.gz NWLXFPMDMFLURR-UHFFFAOYSA-N 0 3 273.376 2.771 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCC[C@@H]1O ZINC000270220176 385019485 /nfs/dbraw/zinc/01/94/85/385019485.db2.gz ZDIMUZIZUVLLGM-HOCLYGCPSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCOc1cccc(CNCC2([S@@](C)=O)CCC2)c1 ZINC000280587416 385072310 /nfs/dbraw/zinc/07/23/10/385072310.db2.gz IDSJTBKJLRFBSW-HXUWFJFHSA-N 0 3 293.432 2.642 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000270373333 385076358 /nfs/dbraw/zinc/07/63/58/385076358.db2.gz KQFFMRHJSHUNOC-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1ccc(=O)[nH]c1 ZINC000638919079 385030355 /nfs/dbraw/zinc/03/03/55/385030355.db2.gz XJUQKHNDHXACQU-UHFFFAOYSA-N 0 3 258.321 2.611 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H](OC)C1CCOCC1 ZINC000638917792 385031898 /nfs/dbraw/zinc/03/18/98/385031898.db2.gz INWKQPUUXSJFSL-QGZVFWFLSA-N 0 3 293.407 2.752 20 30 CFEDHN C[C@H](CO)N(Cc1cc(C#N)ccc1F)CC1CCC1 ZINC000280520892 385043607 /nfs/dbraw/zinc/04/36/07/385043607.db2.gz OFYHYZGJUNDKEG-GFCCVEGCSA-N 0 3 276.355 2.680 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000270474036 385114860 /nfs/dbraw/zinc/11/48/60/385114860.db2.gz ZYGRVAOQOOJRAW-INIZCTEOSA-N 0 3 286.419 2.901 20 30 CFEDHN Cc1oc(C#N)cc1C(=O)Nc1ccc(CN(C)C)cc1 ZINC000280660791 385103446 /nfs/dbraw/zinc/10/34/46/385103446.db2.gz XKNKLFDLKSBLCB-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN C#CCCN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000270661611 385181350 /nfs/dbraw/zinc/18/13/50/385181350.db2.gz VXJLFPCSKKBTOR-KGLIPLIRSA-N 0 3 284.186 2.907 20 30 CFEDHN C=CCN(CCOC)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000639101102 385190212 /nfs/dbraw/zinc/19/02/12/385190212.db2.gz WETYZZAANFYUJS-HNNXBMFYSA-N 0 3 291.391 2.826 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000289156061 197249244 /nfs/dbraw/zinc/24/92/44/197249244.db2.gz QPQMZYHPYMXUMS-MRXNPFEDSA-N 0 3 281.359 2.739 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccnc1Cl ZINC000280760631 385143876 /nfs/dbraw/zinc/14/38/76/385143876.db2.gz YQHMJDKQLZVUEP-DGCLKSJQSA-N 0 3 266.772 2.806 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000280816250 385166193 /nfs/dbraw/zinc/16/61/93/385166193.db2.gz UTCOZKJOSIIPCH-GDBMZVCRSA-N 0 3 261.365 2.771 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000639144054 385245805 /nfs/dbraw/zinc/24/58/05/385245805.db2.gz GIPBKVKEDQYXBM-SWLSCSKDSA-N 0 3 262.353 2.623 20 30 CFEDHN COc1cc(CN2CCC[C@@](C)(OC)CC2)ccc1C#N ZINC000282242151 385257822 /nfs/dbraw/zinc/25/78/22/385257822.db2.gz JDGSMQVZPMQTIO-QGZVFWFLSA-N 0 3 288.391 2.958 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)Cc1cccc(O)c1 ZINC000270953646 385281579 /nfs/dbraw/zinc/28/15/79/385281579.db2.gz XUPYTHBXFXIBGN-UHFFFAOYSA-N 0 3 290.407 2.639 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000271002951 385298754 /nfs/dbraw/zinc/29/87/54/385298754.db2.gz WHZNSKMSNGPPEX-QGZVFWFLSA-N 0 3 292.386 2.948 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000347987520 533115544 /nfs/dbraw/zinc/11/55/44/533115544.db2.gz KYUQWWWJFZOGIA-UWVGGRQHSA-N 0 3 295.180 2.656 20 30 CFEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1ccsc1 ZINC000271598142 385386435 /nfs/dbraw/zinc/38/64/35/385386435.db2.gz UDAQSKDCLCFOMM-CQSZACIVSA-N 0 3 291.420 2.647 20 30 CFEDHN C#CCCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000271067128 385327975 /nfs/dbraw/zinc/32/79/75/385327975.db2.gz UQNHWHYTBPGIDG-MRXNPFEDSA-N 0 3 286.419 2.787 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000272006678 385424064 /nfs/dbraw/zinc/42/40/64/385424064.db2.gz SLLAUVKXTZRJSO-ROUUACIJSA-N 0 3 278.355 2.648 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@@H](C)c2cccc(C#N)c2)o1 ZINC000271913505 385399027 /nfs/dbraw/zinc/39/90/27/385399027.db2.gz YJKFFTCVYAVUAV-SWLSCSKDSA-N 0 3 270.332 2.844 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@@H]2CC3CCC2CC3)nn1 ZINC000639274721 385403482 /nfs/dbraw/zinc/40/34/82/385403482.db2.gz KHKWPKJKZVXLBB-WOICTCIZSA-N 0 3 274.412 2.769 20 30 CFEDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271957582 385411203 /nfs/dbraw/zinc/41/12/03/385411203.db2.gz QMQDFQSMWVLJPC-XUJVJEKNSA-N 0 3 292.354 2.542 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@]1(C)CCCO ZINC000272060202 385438436 /nfs/dbraw/zinc/43/84/36/385438436.db2.gz WLIMIUIUUXANMU-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN CCN(CC)C(=O)C[C@@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272168776 385464840 /nfs/dbraw/zinc/46/48/40/385464840.db2.gz CXDQOEXFUMKMIM-CQSZACIVSA-N 0 3 299.418 2.784 20 30 CFEDHN C=CC(C)(C)CCNCc1cc2c(cn1)OCCO2 ZINC000639344162 385468395 /nfs/dbraw/zinc/46/83/95/385468395.db2.gz VACMOLYSNXFTAN-UHFFFAOYSA-N 0 3 262.353 2.545 20 30 CFEDHN CCN(CC)C(=O)C[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000272168773 385464580 /nfs/dbraw/zinc/46/45/80/385464580.db2.gz CXDQOEXFUMKMIM-AWEZNQCLSA-N 0 3 299.418 2.784 20 30 CFEDHN C=CCN(CCc1ccco1)CCc1cccnc1 ZINC000272336371 385513107 /nfs/dbraw/zinc/51/31/07/385513107.db2.gz XRCYRBGFDVORTI-UHFFFAOYSA-N 0 3 256.349 2.948 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000272449822 385540480 /nfs/dbraw/zinc/54/04/80/385540480.db2.gz BYYIOTZVFBDIIT-RDJZCZTQSA-N 0 3 275.367 2.660 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCCc3occc3C2)cc1 ZINC000288867383 197182289 /nfs/dbraw/zinc/18/22/89/197182289.db2.gz QETBLKNBRWGAMO-MRXNPFEDSA-N 0 3 282.343 2.633 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000272616233 385576219 /nfs/dbraw/zinc/57/62/19/385576219.db2.gz XJZBKBJXIKFOPA-LBPRGKRZSA-N 0 3 264.325 2.756 20 30 CFEDHN Cc1nsc(NC2CCN(CC3CC3)CC2)c1C#N ZINC000286218310 385573281 /nfs/dbraw/zinc/57/32/81/385573281.db2.gz GSCFATJEDOCQGZ-UHFFFAOYSA-N 0 3 276.409 2.610 20 30 CFEDHN C=CCC[C@H](NCCSCCCO)c1ccco1 ZINC000286269521 385581012 /nfs/dbraw/zinc/58/10/12/385581012.db2.gz VHEIOJAZTPWCDD-ZDUSSCGKSA-N 0 3 269.410 2.992 20 30 CFEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1nc(Cl)c(C#N)s1 ZINC000286558131 385649259 /nfs/dbraw/zinc/64/92/59/385649259.db2.gz WSYPLWKCOUBDLT-VHSXEESVSA-N 0 3 296.827 2.731 20 30 CFEDHN Cc1c(Cl)cnc(N2CC[C@H]3CC[C@@H](C2)N3C)c1C#N ZINC000273377755 385678447 /nfs/dbraw/zinc/67/84/47/385678447.db2.gz SHYUJZCHHJAZPV-NEPJUHHUSA-N 0 3 290.798 2.588 20 30 CFEDHN CN1CCN(CC#Cc2ccccc2)C[C@H]1C(C)(C)C ZINC000639747952 385692744 /nfs/dbraw/zinc/69/27/44/385692744.db2.gz WKINEMQVOBWXOD-KRWDZBQOSA-N 0 3 270.420 2.700 20 30 CFEDHN N#Cc1ncccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000274006902 385698516 /nfs/dbraw/zinc/69/85/16/385698516.db2.gz KIOLRWVMYHSDIL-HNNXBMFYSA-N 0 3 278.359 2.640 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274295734 385757954 /nfs/dbraw/zinc/75/79/54/385757954.db2.gz QNXSAXBZBABZPX-NVXWUHKLSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCOCCN1CCC(Oc2ccccc2F)CC1 ZINC000639981228 385801912 /nfs/dbraw/zinc/80/19/12/385801912.db2.gz ZILDETVNOFHUNP-UHFFFAOYSA-N 0 3 279.355 2.872 20 30 CFEDHN C=CCOCCN1CCC(Cc2nccs2)CC1 ZINC000639986229 385806975 /nfs/dbraw/zinc/80/69/75/385806975.db2.gz RRJBVMSYEHOCRE-UHFFFAOYSA-N 0 3 266.410 2.600 20 30 CFEDHN C=CCCCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000274663781 385844506 /nfs/dbraw/zinc/84/45/06/385844506.db2.gz PTJQQOQELPXNIK-UHFFFAOYSA-N 0 3 289.423 2.904 20 30 CFEDHN C#CCOc1ccccc1NC(=O)[C@@H](CC)N(CC)CC ZINC000274858700 385885054 /nfs/dbraw/zinc/88/50/54/385885054.db2.gz RFOJSPSZPAJTHU-OAHLLOKOSA-N 0 3 288.391 2.758 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)c1 ZINC000274930565 385898873 /nfs/dbraw/zinc/89/88/73/385898873.db2.gz OEVUCMZHFXINTD-IXDOHACOSA-N 0 3 291.391 2.533 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)c1 ZINC000274930566 385898888 /nfs/dbraw/zinc/89/88/88/385898888.db2.gz OEVUCMZHFXINTD-ZACQAIPSSA-N 0 3 291.391 2.533 20 30 CFEDHN C=C(C)CCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000274814563 385876901 /nfs/dbraw/zinc/87/69/01/385876901.db2.gz IQSJIIRAHJZSGA-LLVKDONJSA-N 0 3 285.384 2.846 20 30 CFEDHN C=CCCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000276089981 385983548 /nfs/dbraw/zinc/98/35/48/385983548.db2.gz MJDYKRPKEDKAGJ-JKSUJKDBSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1ccccc1 ZINC000275102810 385932386 /nfs/dbraw/zinc/93/23/86/385932386.db2.gz COQLRPZWJLTOPY-JLSDUUJJSA-N 0 3 298.430 2.945 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000275245760 385965046 /nfs/dbraw/zinc/96/50/46/385965046.db2.gz XSPPTRBGCUJXEA-UHFFFAOYSA-N 0 3 282.771 2.795 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)c(F)c1 ZINC000275309195 385974198 /nfs/dbraw/zinc/97/41/98/385974198.db2.gz JARGUZMJTIWTEP-CUOATXAZSA-N 0 3 262.328 2.507 20 30 CFEDHN CCN(CC)[C@@H](CNc1nc(C)cc(C#N)n1)c1ccco1 ZINC000288476188 197088551 /nfs/dbraw/zinc/08/85/51/197088551.db2.gz PARRKMDGPUCWHL-AWEZNQCLSA-N 0 3 299.378 2.745 20 30 CFEDHN Cn1cc(CNC[C@H]2CCC3(CCCCC3)O2)cc1C#N ZINC000276639856 385999822 /nfs/dbraw/zinc/99/98/22/385999822.db2.gz QIUGDEBLHBXEAN-MRXNPFEDSA-N 0 3 287.407 2.868 20 30 CFEDHN CCNC(=O)C1(CN[C@@H](C)c2ccc(C#N)cc2)CCC1 ZINC000276821147 386052947 /nfs/dbraw/zinc/05/29/47/386052947.db2.gz GFOWUPIFWNLGDM-ZDUSSCGKSA-N 0 3 285.391 2.515 20 30 CFEDHN CCN(CC)[C@H](CNc1nc(C)cc(C#N)n1)c1ccco1 ZINC000288476193 197089185 /nfs/dbraw/zinc/08/91/85/197089185.db2.gz PARRKMDGPUCWHL-CQSZACIVSA-N 0 3 299.378 2.745 20 30 CFEDHN C=CCOc1cccc(CNCC2=CCCOC2)c1 ZINC000288447411 197080062 /nfs/dbraw/zinc/08/00/62/197080062.db2.gz MOMMZSOCDLYOGB-UHFFFAOYSA-N 0 3 259.349 2.688 20 30 CFEDHN C=C(C)CCN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000681412768 542451124 /nfs/dbraw/zinc/45/11/24/542451124.db2.gz VOSVTSDJMHBYOU-UHFFFAOYSA-N 0 3 274.412 2.688 20 30 CFEDHN C#CCOc1ccccc1CN1CCCO[C@@H](CC)C1 ZINC000281284081 195179810 /nfs/dbraw/zinc/17/98/10/195179810.db2.gz OPRDKKBOGHAAEU-INIZCTEOSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000186693201 260004800 /nfs/dbraw/zinc/00/48/00/260004800.db2.gz BSYCJJAWJSYBJO-SCZZXKLOSA-N 0 3 259.271 2.692 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186692519 260004898 /nfs/dbraw/zinc/00/48/98/260004898.db2.gz AJBXVNYPVCICMJ-WCQYABFASA-N 0 3 294.351 2.581 20 30 CFEDHN CCN(CC#CCOC)[C@@H](C)Cc1ccsc1 ZINC000681710414 542482138 /nfs/dbraw/zinc/48/21/38/542482138.db2.gz XTIHTYRLKJJYQH-ZDUSSCGKSA-N 0 3 251.395 2.651 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000681727157 542482378 /nfs/dbraw/zinc/48/23/78/542482378.db2.gz PVFHOZMTJAJZMS-CVEARBPZSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000681727517 542483122 /nfs/dbraw/zinc/48/31/22/542483122.db2.gz VXPTUZLPZPRHJJ-MSOLQXFVSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CN1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000363656197 260012581 /nfs/dbraw/zinc/01/25/81/260012581.db2.gz KANTZWYTZAXOBP-AWEZNQCLSA-N 0 3 273.380 2.617 20 30 CFEDHN C=CCCN(C)c1cc(N(C)CCC=C)nc(C)n1 ZINC000682414752 542549970 /nfs/dbraw/zinc/54/99/70/542549970.db2.gz LWXIUAIWMDDMJC-UHFFFAOYSA-N 0 3 260.385 2.810 20 30 CFEDHN CCN(CCNCc1cccc(C#N)c1)C(=O)[C@H](C)C1CC1 ZINC001273312245 781981968 /nfs/dbraw/zinc/98/19/68/781981968.db2.gz XHIWDKNEPAPYIU-CQSZACIVSA-N 0 3 299.418 2.542 20 30 CFEDHN CC(C)=Cc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001240633337 781989620 /nfs/dbraw/zinc/98/96/20/781989620.db2.gz WTEKGWXLMPVUBW-NSHDSACASA-N 0 3 273.336 2.849 20 30 CFEDHN C=C(C)[C@@H](NC[C@@H](O)CC)c1ccc(F)c(F)c1 ZINC000187788045 260059231 /nfs/dbraw/zinc/05/92/31/260059231.db2.gz XRXIAULFSDEDHA-SMDDNHRTSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCCOCCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281558514 195287749 /nfs/dbraw/zinc/28/77/49/195287749.db2.gz JTGJJYBMNSZAPI-OAHLLOKOSA-N 0 3 264.344 2.854 20 30 CFEDHN COc1cc(CN[C@H](C)Cc2c(C)noc2C)ccc1C#N ZINC000281661431 195326277 /nfs/dbraw/zinc/32/62/77/195326277.db2.gz KWJXHDZHFUUXIP-LLVKDONJSA-N 0 3 299.374 2.893 20 30 CFEDHN C=CC[C@@H](CC)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000281644884 195320229 /nfs/dbraw/zinc/32/02/29/195320229.db2.gz PHFLZKTYZYFADU-UONOGXRCSA-N 0 3 281.421 2.793 20 30 CFEDHN COc1cc(CNCC(C)(C)[C@H](O)C(C)C)ccc1C#N ZINC000281812613 195392175 /nfs/dbraw/zinc/39/21/75/195392175.db2.gz WEBMYQSFYYYFTN-MRXNPFEDSA-N 0 3 290.407 2.700 20 30 CFEDHN C[C@@H]1CCC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330396942 296453092 /nfs/dbraw/zinc/45/30/92/296453092.db2.gz SBSIQPUWSYWUJB-SWHYSGLUSA-N 0 3 257.337 2.913 20 30 CFEDHN COC(=O)CCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540148 533379861 /nfs/dbraw/zinc/37/98/61/533379861.db2.gz UYJDLLMDUTZHDI-LBPRGKRZSA-N 0 3 260.337 2.504 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(CC)CCOC2)cc1OC ZINC000682952640 542617225 /nfs/dbraw/zinc/61/72/25/542617225.db2.gz VOOWCORCHBPKHA-QGZVFWFLSA-N 0 3 291.391 2.919 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191498564 130245635 /nfs/dbraw/zinc/24/56/35/130245635.db2.gz GEPKLXVKIDAWAP-DGCLKSJQSA-N 0 3 265.401 2.534 20 30 CFEDHN C[C@H](O)[C@@](C)(CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000191719295 130285611 /nfs/dbraw/zinc/28/56/11/130285611.db2.gz FDKXSJYWYZSRKB-KBXCAEBGSA-N 0 3 298.386 2.871 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC2(CCOC2)CC1 ZINC000683019250 542629429 /nfs/dbraw/zinc/62/94/29/542629429.db2.gz MVIFZLBWYHZOSA-UHFFFAOYSA-N 0 3 255.361 2.541 20 30 CFEDHN CCN(Cc1cnc2ccc(C#N)cn12)CC1CCC1 ZINC000355607278 130318786 /nfs/dbraw/zinc/31/87/86/130318786.db2.gz NSSGHSAKAQKXNM-UHFFFAOYSA-N 0 3 268.364 2.828 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000342246688 130370268 /nfs/dbraw/zinc/37/02/68/130370268.db2.gz KYBLYHQRMGRLSL-ZANVPECISA-N 0 3 276.771 2.501 20 30 CFEDHN C=C(C)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192129141 130378835 /nfs/dbraw/zinc/37/88/35/130378835.db2.gz BCPBJEOOUYVNDK-ZIAGYGMSSA-N 0 3 253.292 2.961 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNc1nccc(C#N)c1Cl ZINC000342224963 130398464 /nfs/dbraw/zinc/39/84/64/130398464.db2.gz OLSXXHPUCBWWTE-RYUDHWBXSA-N 0 3 292.814 2.703 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@]2(C)CCCCN2)c1 ZINC000237519766 131037794 /nfs/dbraw/zinc/03/77/94/131037794.db2.gz NWNIAXNHDVKIHR-INIZCTEOSA-N 0 3 274.364 2.722 20 30 CFEDHN C[C@H](C(=O)Nc1ccc(F)c(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000246653668 131095534 /nfs/dbraw/zinc/09/55/34/131095534.db2.gz CATFLUBKBVVBFB-GRYCIOLGSA-N 0 3 289.354 2.897 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000249864028 131123865 /nfs/dbraw/zinc/12/38/65/131123865.db2.gz HGXUAJVVTJYXOH-HZSPNIEDSA-N 0 3 270.376 2.868 20 30 CFEDHN C=CCOCCCC(=O)Nc1cccc(CN(C)C)c1 ZINC000266281780 131712093 /nfs/dbraw/zinc/71/20/93/131712093.db2.gz VBZBKGWUJBMKIZ-UHFFFAOYSA-N 0 3 276.380 2.670 20 30 CFEDHN C=CCCCCCN1CCN(C[C@@H]2CCCO2)CC1 ZINC000683779150 542723308 /nfs/dbraw/zinc/72/33/08/542723308.db2.gz YCDCUDSBDQIVKM-INIZCTEOSA-N 0 3 266.429 2.529 20 30 CFEDHN C=CCC[C@H](O)CN(CC)Cc1ccc2c(c1)OCO2 ZINC000268533094 132023094 /nfs/dbraw/zinc/02/30/94/132023094.db2.gz FWYLJQUJTKOECQ-AWEZNQCLSA-N 0 3 277.364 2.564 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)cc1F)c1cccs1 ZINC000269385874 132163184 /nfs/dbraw/zinc/16/31/84/132163184.db2.gz AYJYMKSHNRAYDL-HNNXBMFYSA-N 0 3 290.363 2.756 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)cc2F)CCCC[C@@H]1O ZINC000269409920 132166352 /nfs/dbraw/zinc/16/63/52/132166352.db2.gz ISJMQNFNEAIBQF-JKSUJKDBSA-N 0 3 276.355 2.728 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]3OCC[C@H]32)c(F)c1 ZINC000269442169 132171017 /nfs/dbraw/zinc/17/10/17/132171017.db2.gz SZJQEEQPUIQKHD-NUEKZKHPSA-N 0 3 274.339 2.745 20 30 CFEDHN CCCN(CC#Cc1ccc(F)cc1)CC(C)(C)O ZINC000269454098 132173859 /nfs/dbraw/zinc/17/38/59/132173859.db2.gz DNYSNLGYWJYJEL-UHFFFAOYSA-N 0 3 263.356 2.660 20 30 CFEDHN C[C@H]1CN(CCCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000373811960 393473521 /nfs/dbraw/zinc/47/35/21/393473521.db2.gz OKIXFAVBFQXCCP-GOEBONIOSA-N 0 3 280.412 2.586 20 30 CFEDHN Cc1noc([C@@H]2CCCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC000186174102 393540227 /nfs/dbraw/zinc/54/02/27/393540227.db2.gz FUJZLSVNWNHDPQ-MRXNPFEDSA-N 0 3 296.374 2.938 20 30 CFEDHN CC(C)c1nccn1CC(=O)NC1CCN(C2CC2)CC1 ZINC000329527415 393541395 /nfs/dbraw/zinc/54/13/95/393541395.db2.gz HWLMMAHUPPKIOQ-UHFFFAOYSA-N 0 3 290.411 2.590 20 30 CFEDHN C=CCN1CC[C@@H](N2CCSC3(CCCCC3)C2)C1=O ZINC000374163072 393486041 /nfs/dbraw/zinc/48/60/41/393486041.db2.gz SAEZAMVDTJYLAI-CQSZACIVSA-N 0 3 294.464 2.525 20 30 CFEDHN C=CCCN[C@H](CO)c1ccc(Br)cc1 ZINC000308955193 393516179 /nfs/dbraw/zinc/51/61/79/393516179.db2.gz WXHRDTNYDGSLLM-GFCCVEGCSA-N 0 3 270.170 2.648 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(Cl)cc2cccnc21 ZINC000184267918 393525809 /nfs/dbraw/zinc/52/58/09/393525809.db2.gz DYAUKQHFUJMURV-AWEZNQCLSA-N 0 3 276.767 2.915 20 30 CFEDHN C=CCOc1ccccc1CN1CC([C@H]2CCOC2)C1 ZINC000684416218 542805136 /nfs/dbraw/zinc/80/51/36/542805136.db2.gz VUMARSALFQOSND-HNNXBMFYSA-N 0 3 273.376 2.720 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CCOCC2)o1 ZINC000334191868 393578206 /nfs/dbraw/zinc/57/82/06/393578206.db2.gz HSXBSOYAPHUMAS-OAHLLOKOSA-N 0 3 260.337 2.542 20 30 CFEDHN Cc1ccc(C)c(OC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000334322670 393594033 /nfs/dbraw/zinc/59/40/33/393594033.db2.gz IUWNMJQJOAIOOQ-AWEZNQCLSA-N 0 3 286.375 2.833 20 30 CFEDHN CC(C)(C)[C@H](CO)NCc1ccc(C#N)cc1Cl ZINC000393964423 393594734 /nfs/dbraw/zinc/59/47/34/393594734.db2.gz LHBKZGSWVOSEFR-ZDUSSCGKSA-N 0 3 266.772 2.708 20 30 CFEDHN C[C@@H]1CCSCCN1Cc1cc(C#N)cs1 ZINC000191814769 393606973 /nfs/dbraw/zinc/60/69/73/393606973.db2.gz FMPYSYMROPJNNM-SNVBAGLBSA-N 0 3 252.408 2.947 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000334286867 393590289 /nfs/dbraw/zinc/59/02/89/393590289.db2.gz XRTHCZDMDBQXHU-VXGBXAGGSA-N 0 3 256.349 2.902 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)CC)CC1 ZINC000192386022 393622379 /nfs/dbraw/zinc/62/23/79/393622379.db2.gz BSEIMCVYERNIQN-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN CC(C)CN1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000062790094 393627229 /nfs/dbraw/zinc/62/72/29/393627229.db2.gz BHMSWYGOJANGIP-UHFFFAOYSA-N 0 3 277.799 2.990 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000335105440 393642019 /nfs/dbraw/zinc/64/20/19/393642019.db2.gz USZGXTKRBHQBIR-MRXNPFEDSA-N 0 3 264.413 2.533 20 30 CFEDHN CC(C(=O)N1CCc2c1cccc2C#N)C(F)(F)F ZINC000335479371 393670877 /nfs/dbraw/zinc/67/08/77/393670877.db2.gz IPBTYUVAKMLOMT-QMMMGPOBSA-N 0 3 268.238 2.646 20 30 CFEDHN CN(CCc1cncs1)Cc1cccc(C#N)c1 ZINC000411129977 393671220 /nfs/dbraw/zinc/67/12/20/393671220.db2.gz HECYMUIWJMEAEG-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc2ccc(F)cc2o1 ZINC000411644251 393733381 /nfs/dbraw/zinc/73/33/81/393733381.db2.gz QWBNQSZBYOFXEI-UHFFFAOYSA-N 0 3 291.370 2.907 20 30 CFEDHN CC#CCN(C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000411775641 393747049 /nfs/dbraw/zinc/74/70/49/393747049.db2.gz YIDKQRGMLLUVHI-KRWDZBQOSA-N 0 3 284.403 2.525 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1NCC#Cc1ccccc1 ZINC000411892912 393757387 /nfs/dbraw/zinc/75/73/87/393757387.db2.gz LXSHVURCEYSGCO-MOPGFXCFSA-N 0 3 277.367 2.940 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCC#Cc1ccccc1)C1CC1 ZINC000411976998 393758595 /nfs/dbraw/zinc/75/85/95/393758595.db2.gz XKVUBEOSYXTZBE-PBHICJAKSA-N 0 3 257.377 2.831 20 30 CFEDHN N#CCCCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411990758 393759679 /nfs/dbraw/zinc/75/96/79/393759679.db2.gz SUDSCLGCWKNNEZ-QGZVFWFLSA-N 0 3 284.359 2.790 20 30 CFEDHN C=CCOCCCN1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411980062 393759731 /nfs/dbraw/zinc/75/97/31/393759731.db2.gz FTVHNYSXNQXSSC-KRWDZBQOSA-N 0 3 288.435 2.785 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1CC#Cc1cccc(Cl)c1 ZINC000335975345 393711565 /nfs/dbraw/zinc/71/15/65/393711565.db2.gz NFNJAIIKOQMFQA-UONOGXRCSA-N 0 3 276.811 2.716 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC(C)(C)C[C@H]1C ZINC000412021923 393760206 /nfs/dbraw/zinc/76/02/06/393760206.db2.gz ODNVABPJLYEBDG-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)C2CC2)cc1 ZINC000194968038 393725949 /nfs/dbraw/zinc/72/59/49/393725949.db2.gz QWGZYCOBKPPOJL-INIZCTEOSA-N 0 3 256.349 2.702 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(F)ccc2Cl)CC1 ZINC000340000021 393834482 /nfs/dbraw/zinc/83/44/82/393834482.db2.gz TYGOYPAJBNYHNL-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000412283833 393765426 /nfs/dbraw/zinc/76/54/26/393765426.db2.gz DRNYYBKYHMQILF-ZQDZILKHSA-N 0 3 264.413 2.815 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000340044101 393835496 /nfs/dbraw/zinc/83/54/96/393835496.db2.gz YBQJYQHFANLCSN-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413124728 393779682 /nfs/dbraw/zinc/77/96/82/393779682.db2.gz GJVQAOALENNSMS-UHFFFAOYSA-N 0 3 294.330 2.581 20 30 CFEDHN C[C@H](C(=O)N[C@H](C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000413557799 393785212 /nfs/dbraw/zinc/78/52/12/393785212.db2.gz SDQBOBXFKYZYJK-HLPPOEQASA-N 0 3 291.439 2.836 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CCCCN1CCCC ZINC000338423666 393786731 /nfs/dbraw/zinc/78/67/31/393786731.db2.gz MPNTYZMSCCUIPW-JKSUJKDBSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413920566 393791976 /nfs/dbraw/zinc/79/19/76/393791976.db2.gz VZAGPGKLIOFATG-UHFFFAOYSA-N 0 3 294.370 2.917 20 30 CFEDHN C=CCOCCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000338893099 393804171 /nfs/dbraw/zinc/80/41/71/393804171.db2.gz HOJWGLUMVODMJK-HNNXBMFYSA-N 0 3 288.391 2.540 20 30 CFEDHN CC[C@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245520009 393812162 /nfs/dbraw/zinc/81/21/62/393812162.db2.gz JEFJBZNJNSDABP-YOEHRIQHSA-N 0 3 297.402 2.786 20 30 CFEDHN C=CCOCCN1CC[C@H](C(F)(F)F)C1(C)C ZINC000339119857 393819343 /nfs/dbraw/zinc/81/93/43/393819343.db2.gz SXSRDWBEQZLUOQ-JTQLQIEISA-N 0 3 251.292 2.852 20 30 CFEDHN COCC(C)(C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000345543458 393910827 /nfs/dbraw/zinc/91/08/27/393910827.db2.gz IJWHABOOZYJLKP-HNNXBMFYSA-N 0 3 288.391 2.642 20 30 CFEDHN CCOC(=O)CCN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000343392595 393884845 /nfs/dbraw/zinc/88/48/45/393884845.db2.gz BOJLPOHNXKGCER-LBPRGKRZSA-N 0 3 260.337 2.504 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H](C)CC ZINC000343488890 393886814 /nfs/dbraw/zinc/88/68/14/393886814.db2.gz XAZFJPJNRMJRCA-ZIAGYGMSSA-N 0 3 254.418 2.777 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000426959484 393891288 /nfs/dbraw/zinc/89/12/88/393891288.db2.gz JLMWUMUSDHJTEO-BHPKHCPMSA-N 0 3 256.349 2.939 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000427025063 393891445 /nfs/dbraw/zinc/89/14/45/393891445.db2.gz WXMWWXNUONHHLQ-QGZVFWFLSA-N 0 3 288.822 2.860 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000427498995 393893430 /nfs/dbraw/zinc/89/34/30/393893430.db2.gz ZFYFORFUNLLMCU-OIISXLGYSA-N 0 3 286.419 2.945 20 30 CFEDHN CC(C)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000114729344 393902797 /nfs/dbraw/zinc/90/27/97/393902797.db2.gz MYELPSYLSXGJRV-WBVHZDCISA-N 0 3 293.455 2.799 20 30 CFEDHN CO[C@@H](CCNCc1ccc(C#N)s1)C(F)(F)F ZINC000344824318 393904118 /nfs/dbraw/zinc/90/41/18/393904118.db2.gz YNERDUJUNLJKOD-JTQLQIEISA-N 0 3 278.299 2.677 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccccc2C#N)C1(C)C ZINC000345717425 393914016 /nfs/dbraw/zinc/91/40/16/393914016.db2.gz YXPWXEOUXPSTNM-NILFDRSVSA-N 0 3 258.365 2.707 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nn(C)c2ccccc12 ZINC000684767944 542851245 /nfs/dbraw/zinc/85/12/45/542851245.db2.gz VKEXFRLDQWTPIF-DYVFJYSZSA-N 0 3 285.391 2.644 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCCc1ccccc1 ZINC000345774503 393917691 /nfs/dbraw/zinc/91/76/91/393917691.db2.gz AAXCWNSWXHBIQA-OAHLLOKOSA-N 0 3 299.418 2.502 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](CC2CC2)c2ccccc2)C1=O ZINC000684890218 542866237 /nfs/dbraw/zinc/86/62/37/542866237.db2.gz DNGPQGSAYVBQFK-DLBZAZTESA-N 0 3 284.403 2.904 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000121120614 393949622 /nfs/dbraw/zinc/94/96/22/393949622.db2.gz VOVNZCHBCGNNHX-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C#N)C(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000346189445 393922385 /nfs/dbraw/zinc/92/23/85/393922385.db2.gz OUEYTHZXUAGICL-LLVKDONJSA-N 0 3 260.312 2.519 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346192265 393922414 /nfs/dbraw/zinc/92/24/14/393922414.db2.gz MUZNXPDOIYHFGE-LVQVYYBASA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434753061 394017172 /nfs/dbraw/zinc/01/71/72/394017172.db2.gz PICJPZXJWWTOGS-QAPCUYQASA-N 0 3 286.419 2.649 20 30 CFEDHN C[C@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000417385234 393954712 /nfs/dbraw/zinc/95/47/12/393954712.db2.gz LWKLQMZCUSBYIF-GXFFZTMASA-N 0 3 297.324 2.687 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](OCC)C(C)C)CC1 ZINC000348788468 393958487 /nfs/dbraw/zinc/95/84/87/393958487.db2.gz YLPJSAFCYDIWAD-MRXNPFEDSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000349601593 393971195 /nfs/dbraw/zinc/97/11/95/393971195.db2.gz STMMAQVHLFCDOR-JTNHKYCSSA-N 0 3 260.312 2.895 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1CC(C)C ZINC000123524900 393982819 /nfs/dbraw/zinc/98/28/19/393982819.db2.gz GXMIPGCGYAGKJO-HZPDHXFCSA-N 0 3 293.455 2.895 20 30 CFEDHN CC(C)(O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000267469868 393987344 /nfs/dbraw/zinc/98/73/44/393987344.db2.gz VLMPFZRIQOIWBW-UHFFFAOYSA-N 0 3 258.365 2.684 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(C#N)c(C)c1 ZINC000487871430 394026089 /nfs/dbraw/zinc/02/60/89/394026089.db2.gz MCPHGMGZJHQWBI-UHFFFAOYSA-N 0 3 260.381 2.851 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1CSCCS1 ZINC000125200387 394003924 /nfs/dbraw/zinc/00/39/24/394003924.db2.gz RHXCEABFCGRTPF-CQSZACIVSA-N 0 3 293.457 2.637 20 30 CFEDHN Fc1ccc(C#CCN2CCC3(C2)CCOCC3)cc1 ZINC000269618033 394005092 /nfs/dbraw/zinc/00/50/92/394005092.db2.gz MVBGZAHZPCOERH-UHFFFAOYSA-N 0 3 273.351 2.680 20 30 CFEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000489445247 394041045 /nfs/dbraw/zinc/04/10/45/394041045.db2.gz ZYGMJOQETMNRCN-OAHLLOKOSA-N 0 3 283.375 2.927 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1ccccc1CCN(C)C ZINC000354192295 394043015 /nfs/dbraw/zinc/04/30/15/394043015.db2.gz SIAXALZAVFCDSH-AWEZNQCLSA-N 0 3 290.407 2.710 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1ccc(Br)cc1)C(C)C ZINC000491385762 394049686 /nfs/dbraw/zinc/04/96/86/394049686.db2.gz SEFWSLBCEZYSHB-KBPBESRZSA-N 0 3 296.208 2.730 20 30 CFEDHN C[C@H]1CCCC[C@@H]1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355461735 394066132 /nfs/dbraw/zinc/06/61/32/394066132.db2.gz XVJMXYKPCVJINJ-JKSUJKDBSA-N 0 3 298.434 2.902 20 30 CFEDHN C=CCCC1(C(=O)N(CCC)CCN(C)C)CC1 ZINC000356149540 394074743 /nfs/dbraw/zinc/07/47/43/394074743.db2.gz UETLJDWDNPZFFK-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C[C@]1(CO)CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000492846310 394081109 /nfs/dbraw/zinc/08/11/09/394081109.db2.gz ICQNMVZTTSOZIC-HZPDHXFCSA-N 0 3 277.795 2.832 20 30 CFEDHN C[C@@]1(CO)CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000492846308 394081322 /nfs/dbraw/zinc/08/13/22/394081322.db2.gz ICQNMVZTTSOZIC-CVEARBPZSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000281868575 394086582 /nfs/dbraw/zinc/08/65/82/394086582.db2.gz NGTJMJXAFFLXSB-AWEZNQCLSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(SC)cc2)C1=O ZINC000281979619 394105130 /nfs/dbraw/zinc/10/51/30/394105130.db2.gz UWRIFJDJKGEZKG-IUODEOHRSA-N 0 3 290.432 2.846 20 30 CFEDHN C[C@H]1CCCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000353493052 394031708 /nfs/dbraw/zinc/03/17/08/394031708.db2.gz RFLUUUGDZPZWNK-ZDUSSCGKSA-N 0 3 268.364 2.970 20 30 CFEDHN CC(C#N)C(=O)NCCCCc1ccc(F)c(F)c1 ZINC000358897677 394115440 /nfs/dbraw/zinc/11/54/40/394115440.db2.gz NGZXORXSHIZGSE-SNVBAGLBSA-N 0 3 266.291 2.563 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC(=O)[C@@](C)(C#N)CC)c1ccco1 ZINC000359541420 394138561 /nfs/dbraw/zinc/13/85/61/394138561.db2.gz DKGPZNCPELPRGK-HEHGZKQESA-N 0 3 291.395 2.765 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360617200 394155784 /nfs/dbraw/zinc/15/57/84/394155784.db2.gz HJDUUGYSJNQOGY-CQSZACIVSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360693058 394158166 /nfs/dbraw/zinc/15/81/66/394158166.db2.gz XXJRQSXVQRHVNM-WMZOPIPTSA-N 0 3 287.403 2.835 20 30 CFEDHN CC#CCCNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000360957813 394162241 /nfs/dbraw/zinc/16/22/41/394162241.db2.gz NTWOENOXXOHJKT-GFCCVEGCSA-N 0 3 259.349 2.522 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000361153861 394166483 /nfs/dbraw/zinc/16/64/83/394166483.db2.gz KSJMHUCAHQLQSO-GJZGRUSLSA-N 0 3 274.408 2.776 20 30 CFEDHN C[C@](CO)(CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421359979 394200066 /nfs/dbraw/zinc/20/00/66/394200066.db2.gz YBFCYUSFEHHEKO-GOSISDBHSA-N 0 3 298.361 2.737 20 30 CFEDHN CC(=O)N[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135130398 394211410 /nfs/dbraw/zinc/21/14/10/394211410.db2.gz RZAMMUCSSSVBTO-INIZCTEOSA-N 0 3 299.418 2.588 20 30 CFEDHN CN(CCNc1cc(C#N)ccn1)Cc1ccc(F)cc1 ZINC000288554889 394213312 /nfs/dbraw/zinc/21/33/12/394213312.db2.gz VUSBXUJODYEYEP-UHFFFAOYSA-N 0 3 284.338 2.636 20 30 CFEDHN C=CCC[C@H](NCc1ncccc1N(C)C)C1CC1 ZINC000289835039 394223027 /nfs/dbraw/zinc/22/30/27/394223027.db2.gz PNKCGRGLEOPSDZ-AWEZNQCLSA-N 0 3 259.397 2.982 20 30 CFEDHN C#C[C@@H]([NH2+]Cc1cccc(OCC)c1[O-])C(C)(C)C ZINC000290212466 394227571 /nfs/dbraw/zinc/22/75/71/394227571.db2.gz QTFQHQZNOIEXHT-CQSZACIVSA-N 0 3 261.365 2.928 20 30 CFEDHN C=C(Cl)CN[C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366085301 394239691 /nfs/dbraw/zinc/23/96/91/394239691.db2.gz JRMSGIZNRGXFRU-RYUDHWBXSA-N 0 3 253.777 2.788 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccccc1-n1ccnn1 ZINC000286218222 394194518 /nfs/dbraw/zinc/19/45/18/394194518.db2.gz SEYZOLBPTQNCCT-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN COc1cccc(C[C@H](C)NCc2ccc(C#N)s2)n1 ZINC000421349804 394194934 /nfs/dbraw/zinc/19/49/34/394194934.db2.gz JMDBWHRNSVCMCS-NSHDSACASA-N 0 3 287.388 2.744 20 30 CFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1snc(Cl)c1C#N ZINC000286394763 394196177 /nfs/dbraw/zinc/19/61/77/394196177.db2.gz LEWFONCAHFVQGP-MWLCHTKSSA-N 0 3 296.827 2.731 20 30 CFEDHN N#Cc1ccc(N2CC[C@H](N3C[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000368069644 394265575 /nfs/dbraw/zinc/26/55/75/394265575.db2.gz HDZQKHZAESHKNI-OIISXLGYSA-N 0 3 295.386 2.538 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN(C3CCC3)C[C@H](C)C2)n1 ZINC000292412900 394273658 /nfs/dbraw/zinc/27/36/58/394273658.db2.gz VVDVKWONMJZPSK-ZDUSSCGKSA-N 0 3 284.407 2.572 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(O)cc(C(F)(F)F)c1 ZINC000449518692 394280342 /nfs/dbraw/zinc/28/03/42/394280342.db2.gz KIQCIFPZPHCBGB-OLZOCXBDSA-N 0 3 287.281 2.844 20 30 CFEDHN CC(C)[C@]1(CO)CCCN(CC#Cc2ccccc2)C1 ZINC000293244680 394281293 /nfs/dbraw/zinc/28/12/93/394281293.db2.gz ZDGZMKMJSUBMIN-GOSISDBHSA-N 0 3 271.404 2.769 20 30 CFEDHN C=C(C)CNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000156440753 394334191 /nfs/dbraw/zinc/33/41/91/394334191.db2.gz HITXYXAPHQKOBO-INIZCTEOSA-N 0 3 287.407 2.526 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@@H](O)C(F)F ZINC000296233556 394306671 /nfs/dbraw/zinc/30/66/71/394306671.db2.gz CDURDVPWUCVTKL-JIMOISOXSA-N 0 3 268.307 2.613 20 30 CFEDHN CC#CCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000155093829 394310529 /nfs/dbraw/zinc/31/05/29/394310529.db2.gz QFPOHTSJAIRGRH-OAHLLOKOSA-N 0 3 286.423 2.597 20 30 CFEDHN CC#CCCN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000155374967 394315853 /nfs/dbraw/zinc/31/58/53/394315853.db2.gz HREMBXJCZMYJID-UHFFFAOYSA-N 0 3 288.391 2.504 20 30 CFEDHN N#Cc1ccc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000158000974 394353125 /nfs/dbraw/zinc/35/31/25/394353125.db2.gz ZHRVKWGHEVRPAU-UHFFFAOYSA-N 0 3 287.344 2.860 20 30 CFEDHN Cc1nccn1CCCN(C)Cc1ccc(F)cc1C#N ZINC000159226396 394364663 /nfs/dbraw/zinc/36/46/63/394364663.db2.gz SPSQRQNJDKGUHS-UHFFFAOYSA-N 0 3 286.354 2.724 20 30 CFEDHN COCC[C@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000515068319 394369393 /nfs/dbraw/zinc/36/93/93/394369393.db2.gz FMYZMEDDLLZMES-CQSZACIVSA-N 0 3 273.380 2.592 20 30 CFEDHN C[C@@H]1CCN(CCCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000516648469 394370004 /nfs/dbraw/zinc/37/00/04/394370004.db2.gz XBXHEXATWORHES-CHWSQXEVSA-N 0 3 266.385 2.590 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCC#Cc2ccccc2)C1(C)C ZINC000451490999 394376582 /nfs/dbraw/zinc/37/65/82/394376582.db2.gz PHARXYZDDGSWJI-WBVHZDCISA-N 0 3 257.377 2.831 20 30 CFEDHN C=CCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000684966631 542880344 /nfs/dbraw/zinc/88/03/44/542880344.db2.gz KFZMFZZXSIGZAM-UHFFFAOYSA-N 0 3 269.392 2.862 20 30 CFEDHN C=CCN1CC[C@@H](N2CCc3ccccc3[C@H]2CC)C1=O ZINC000685001189 542885898 /nfs/dbraw/zinc/88/58/98/542885898.db2.gz QFDSKZVKZQICIT-IAGOWNOFSA-N 0 3 284.403 2.783 20 30 CFEDHN C=CCN1CC[C@@H](N2CCc3ccccc3[C@@H]2CC)C1=O ZINC000685001188 542886459 /nfs/dbraw/zinc/88/64/59/542886459.db2.gz QFDSKZVKZQICIT-DLBZAZTESA-N 0 3 284.403 2.783 20 30 CFEDHN C=CCCN1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000685044443 542889821 /nfs/dbraw/zinc/88/98/21/542889821.db2.gz SLKPKIZEFBCFBM-HNNXBMFYSA-N 0 3 270.376 2.987 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528784856 394405965 /nfs/dbraw/zinc/40/59/65/394405965.db2.gz UATMBTHAGXGNTQ-DVNRBFFJSA-N 0 3 288.416 2.605 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2conc2C(C)C)CC1 ZINC000528446158 394405301 /nfs/dbraw/zinc/40/53/01/394405301.db2.gz DMVUYGWQAVCGPG-UHFFFAOYSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H](C)c2ccco2)CC1 ZINC000528447278 394405425 /nfs/dbraw/zinc/40/54/25/394405425.db2.gz FWIHZCIAJXWQBT-ZDUSSCGKSA-N 0 3 276.380 2.540 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000527804507 394409767 /nfs/dbraw/zinc/40/97/67/394409767.db2.gz QKGXUKLEDLQCQN-JNIYBQFBSA-N 0 3 262.328 2.599 20 30 CFEDHN Cc1nc(CCNCc2cc(C#N)cs2)c(C)o1 ZINC000535749512 394541676 /nfs/dbraw/zinc/54/16/76/394541676.db2.gz STXMFRRNOHJILN-UHFFFAOYSA-N 0 3 261.350 2.557 20 30 CFEDHN C[C@@H](NC[C@H](O)COc1ccccc1)c1cccc(C#N)c1 ZINC000540596906 394649876 /nfs/dbraw/zinc/64/98/76/394649876.db2.gz HQYAYTVZPPSUPF-PBHICJAKSA-N 0 3 296.370 2.649 20 30 CFEDHN Cn1cc(CN2CCC2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000543703169 394738396 /nfs/dbraw/zinc/73/83/96/394738396.db2.gz QTEXINUICLGFLZ-UHFFFAOYSA-N 0 3 280.375 2.943 20 30 CFEDHN Cc1ccnc(N2CCCN(C(C)(C)C)CC2)c1C#N ZINC000542210847 394698168 /nfs/dbraw/zinc/69/81/68/394698168.db2.gz CEANHCTVVUCWNW-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccncc2C#N)C1 ZINC000548481250 394935218 /nfs/dbraw/zinc/93/52/18/394935218.db2.gz IGHGEDCGQWCDDT-RHSMWYFYSA-N 0 3 292.386 2.623 20 30 CFEDHN CC(C)N(Cc1cccs1)C(=O)[C@H](N)CCCCC#N ZINC000594426700 395103390 /nfs/dbraw/zinc/10/33/90/395103390.db2.gz GAJZXHHLZNTVCM-CQSZACIVSA-N 0 3 293.436 2.896 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1ccc(C#N)s1 ZINC000557778232 395046081 /nfs/dbraw/zinc/04/60/81/395046081.db2.gz CPYHRICINUMIJW-LBPRGKRZSA-N 0 3 291.420 2.566 20 30 CFEDHN C=CCOCCNCc1cc2cc(Cl)cnc2o1 ZINC000648509926 395177834 /nfs/dbraw/zinc/17/78/34/395177834.db2.gz JQDVWESEGGSDCW-UHFFFAOYSA-N 0 3 266.728 2.773 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000647297565 395278134 /nfs/dbraw/zinc/27/81/34/395278134.db2.gz LSEXSAMCMCBRJA-MRXNPFEDSA-N 0 3 290.407 2.674 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H]1CCCc2cccnc21 ZINC000648763369 395301681 /nfs/dbraw/zinc/30/16/81/395301681.db2.gz DTJTYVDDPAYKAG-ILXRZTDVSA-N 0 3 258.365 2.782 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2(C3CCC3)CC2)CC1 ZINC000650851828 413201922 /nfs/dbraw/zinc/20/19/22/413201922.db2.gz GIYVMCFUKCUHLN-UHFFFAOYSA-N 0 3 291.439 2.659 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000356267424 155203846 /nfs/dbraw/zinc/20/38/46/155203846.db2.gz BDCIDRXDCGEBPQ-CJNGLKHVSA-N 0 3 297.402 2.566 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(OC)c(C#N)c1 ZINC000411639127 413233718 /nfs/dbraw/zinc/23/37/18/413233718.db2.gz IMUSCNFMVNCGOR-UHFFFAOYSA-N 0 3 287.407 2.507 20 30 CFEDHN C=CCCCCCNC(=O)[C@H]1NCCCC1(C)C ZINC000574099142 413274066 /nfs/dbraw/zinc/27/40/66/413274066.db2.gz BHARCGKJXFHUSI-CYBMUJFWSA-N 0 3 252.402 2.627 20 30 CFEDHN Cc1cc(NCCc2ccc3cn[nH]c3c2)cc(C#N)n1 ZINC000343055108 154098469 /nfs/dbraw/zinc/09/84/69/154098469.db2.gz YALRTCGSQLBEPI-UHFFFAOYSA-N 0 3 277.331 2.793 20 30 CFEDHN C[C@H]1CCCC[C@H]1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355461733 155015542 /nfs/dbraw/zinc/01/55/42/155015542.db2.gz XVJMXYKPCVJINJ-HOTGVXAUSA-N 0 3 298.434 2.902 20 30 CFEDHN Cc1cc(CN(CCO)[C@H]2CCCSC2)ccc1C#N ZINC000355528713 155032040 /nfs/dbraw/zinc/03/20/40/155032040.db2.gz HWDZKDNOCRSCFX-INIZCTEOSA-N 0 3 290.432 2.557 20 30 CFEDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CC[C@@H](C#N)C1 ZINC000349349395 286478022 /nfs/dbraw/zinc/47/80/22/286478022.db2.gz ATZHBFJMZXGEHR-JMSVASOKSA-N 0 3 256.349 2.964 20 30 CFEDHN C[C@@H](NC[C@]1(C)CCOC1)c1ccc(C#N)cc1F ZINC000358564090 155801770 /nfs/dbraw/zinc/80/17/70/155801770.db2.gz WUGTWXWTVNOHRR-ABAIWWIYSA-N 0 3 262.328 2.775 20 30 CFEDHN CN1CC[C@H](NCc2ccc(C#N)o2)[C@@H]1c1ccc(F)cc1 ZINC000362760028 156080429 /nfs/dbraw/zinc/08/04/29/156080429.db2.gz SFWNXBGCAXMLTO-IRXDYDNUSA-N 0 3 299.349 2.825 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1Cc2ccccc2O1 ZINC000363874973 156200565 /nfs/dbraw/zinc/20/05/65/156200565.db2.gz KMCAQJCRRCTSHB-KRWDZBQOSA-N 0 3 278.355 2.994 20 30 CFEDHN Cc1n[nH]cc1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000366943392 156258066 /nfs/dbraw/zinc/25/80/66/156258066.db2.gz LBRQZYGZWVHURO-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN COc1cc(CN2CC[C@H]3OCCC[C@H]3C2)ccc1C#N ZINC000374206046 157081650 /nfs/dbraw/zinc/08/16/50/157081650.db2.gz QSQZFJPYLKTRKH-JKSUJKDBSA-N 0 3 286.375 2.568 20 30 CFEDHN COc1cc(CN2CCCO[C@H]3CCC[C@@H]32)ccc1C#N ZINC000374203681 157082218 /nfs/dbraw/zinc/08/22/18/157082218.db2.gz FBFACKDDSMSXKJ-HOTGVXAUSA-N 0 3 286.375 2.710 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCCC[C@H]2CC)nn1 ZINC000653620710 413408417 /nfs/dbraw/zinc/40/84/17/413408417.db2.gz VQHJQPLRDVBTHR-UKRRQHHQSA-N 0 3 262.401 2.913 20 30 CFEDHN CCN1CCCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000344315292 162006394 /nfs/dbraw/zinc/00/63/94/162006394.db2.gz ICYWAMWALFDKLG-HNNXBMFYSA-N 0 3 275.371 2.661 20 30 CFEDHN N#Cc1ccc(CNCCNC(=O)CC2CCCCC2)cc1 ZINC000344385756 162029275 /nfs/dbraw/zinc/02/92/75/162029275.db2.gz BCTPLEUEQOXYKU-UHFFFAOYSA-N 0 3 299.418 2.734 20 30 CFEDHN CC[C@H](C)[C@](C)(O)CNCc1ccc(C#N)cc1F ZINC000344382397 162030840 /nfs/dbraw/zinc/03/08/40/162030840.db2.gz OWDMQJKSHUDRKR-XHDPSFHLSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)Cc1ccccc1 ZINC000344841113 162131702 /nfs/dbraw/zinc/13/17/02/162131702.db2.gz CKMGBJUCERLJJP-FZKQIMNGSA-N 0 3 298.361 2.779 20 30 CFEDHN COc1cccc(CCN[C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346128994 162325626 /nfs/dbraw/zinc/32/56/26/162325626.db2.gz KTBIHGFTCXTQJG-GFCCVEGCSA-N 0 3 299.349 2.994 20 30 CFEDHN C[C@@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000346190354 162345919 /nfs/dbraw/zinc/34/59/19/162345919.db2.gz OTKPVGHDPVGQAO-LLVKDONJSA-N 0 3 291.370 2.653 20 30 CFEDHN C[C@H](CN(C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000351600893 163154141 /nfs/dbraw/zinc/15/41/41/163154141.db2.gz ZGLRUPAJGXZAPG-CYBMUJFWSA-N 0 3 288.391 2.968 20 30 CFEDHN C[C@H]1CC[C@@H](N(CCO)Cc2cccc(C#N)c2F)C1 ZINC000351633467 163161330 /nfs/dbraw/zinc/16/13/30/163161330.db2.gz ZDQSEDXLBMLSOV-SWLSCSKDSA-N 0 3 276.355 2.680 20 30 CFEDHN CC1(CNCc2nc(C#N)cs2)Cc2ccccc2C1 ZINC000352801609 163238135 /nfs/dbraw/zinc/23/81/35/163238135.db2.gz RTIWORGWHYEWAQ-UHFFFAOYSA-N 0 3 283.400 2.909 20 30 CFEDHN N#Cc1ccc(CNCCN2CCCC2)c(C(F)(F)F)c1 ZINC000352839464 163249500 /nfs/dbraw/zinc/24/95/00/163249500.db2.gz KJLKXDHRWFXDCH-UHFFFAOYSA-N 0 3 297.324 2.762 20 30 CFEDHN N#Cc1csc(CNCCC2Cc3ccccc3C2)n1 ZINC000352849599 163251471 /nfs/dbraw/zinc/25/14/71/163251471.db2.gz XBURHZNTPFKCPC-UHFFFAOYSA-N 0 3 283.400 2.909 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCCC(F)(F)C2)n1 ZINC000352856133 163252952 /nfs/dbraw/zinc/25/29/52/163252952.db2.gz VOMSWRUNXSRWNH-SECBINFHSA-N 0 3 271.336 2.930 20 30 CFEDHN N#Cc1cccc(CN(C[C@@H]2CCOC2)C2CC2)c1F ZINC000352884652 163262744 /nfs/dbraw/zinc/26/27/44/163262744.db2.gz MMRZFBVUUHDBQQ-LBPRGKRZSA-N 0 3 274.339 2.698 20 30 CFEDHN CC(C)(O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352938429 163274092 /nfs/dbraw/zinc/27/40/92/163274092.db2.gz KYKZYMDLAIIXJC-UHFFFAOYSA-N 0 3 286.297 2.828 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](COC(F)F)C2)c1 ZINC000353030734 163290657 /nfs/dbraw/zinc/29/06/57/163290657.db2.gz SWQCENRZCBDPJD-ZDUSSCGKSA-N 0 3 266.291 2.619 20 30 CFEDHN N#Cc1ccc2ncc(CNCC3(C(F)(F)F)CC3)n2c1 ZINC000353038460 163295310 /nfs/dbraw/zinc/29/53/10/163295310.db2.gz ZFCJSBPISNZWMO-UHFFFAOYSA-N 0 3 294.280 2.638 20 30 CFEDHN Cc1cc2cc(CNCc3cc(C#N)n(C)c3)ccc2[nH]1 ZINC000353124415 163310925 /nfs/dbraw/zinc/31/09/25/163310925.db2.gz KBFPKKMSICSVQH-UHFFFAOYSA-N 0 3 278.359 2.976 20 30 CFEDHN C[C@@H](N[C@H](CO)C1CCCC1)c1ccc(C#N)cc1F ZINC000353499704 163378420 /nfs/dbraw/zinc/37/84/20/163378420.db2.gz WXXODLDCNCQKBU-BDJLRTHQSA-N 0 3 276.355 2.899 20 30 CFEDHN CCC#C[C@H](C)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653711106 413460986 /nfs/dbraw/zinc/46/09/86/413460986.db2.gz RAJNKDARXUEMJH-ZFWWWQNUSA-N 0 3 259.397 2.647 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651433377 413468875 /nfs/dbraw/zinc/46/88/75/413468875.db2.gz WADJPSMIIIBTHD-WQAKAFBOSA-N 0 3 274.320 2.528 20 30 CFEDHN CC1CC(C)(C)CCC1NC(=O)c1ccc(C#N)n1C ZINC000450038805 287209686 /nfs/dbraw/zinc/20/96/86/287209686.db2.gz BLIHWUFDQICEOF-YPMHNXCESA-N 0 3 273.380 2.841 20 30 CFEDHN Cn1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1C#N ZINC000284380386 196044197 /nfs/dbraw/zinc/04/41/97/196044197.db2.gz OKYJMDFEMYWTKV-OLZOCXBDSA-N 0 3 298.217 2.912 20 30 CFEDHN COc1cccc([C@@H](CNc2ccc(C#N)cn2)N(C)C)c1 ZINC000022263629 171382713 /nfs/dbraw/zinc/38/27/13/171382713.db2.gz KNSFCYKSBOITDB-MRXNPFEDSA-N 0 3 296.374 2.677 20 30 CFEDHN C[C@H](NC[C@H](O)c1ccco1)c1ccc(C#N)cc1 ZINC000030532406 171618281 /nfs/dbraw/zinc/61/82/81/171618281.db2.gz NULMXEUCEIBWJA-FZMZJTMJSA-N 0 3 256.305 2.535 20 30 CFEDHN N#Cc1cccc(CN2CCC3(CCOCC3)CC2)c1 ZINC000284876334 196148845 /nfs/dbraw/zinc/14/88/45/196148845.db2.gz VNLRZYOUPIIMMV-UHFFFAOYSA-N 0 3 270.376 2.951 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)CCCc2cccnc2)nn1 ZINC000653759332 413486166 /nfs/dbraw/zinc/48/61/66/413486166.db2.gz IPDCPACAQVOLPW-HNNXBMFYSA-N 0 3 299.422 2.750 20 30 CFEDHN OCCC1(NCC#Cc2cccc(Cl)c2)CCCC1 ZINC000660682181 413496220 /nfs/dbraw/zinc/49/62/20/413496220.db2.gz IXIZNGRNASZHTA-UHFFFAOYSA-N 0 3 277.795 2.976 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Cc2nc(CC)cs2)CC1 ZINC000653802455 413505589 /nfs/dbraw/zinc/50/55/89/413505589.db2.gz GXOSWOSUKYMAGW-HNNXBMFYSA-N 0 3 294.464 2.897 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000285068084 196189077 /nfs/dbraw/zinc/18/90/77/196189077.db2.gz PAJKGANFHGONIE-DLBZAZTESA-N 0 3 279.343 2.573 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NCCCC ZINC000285073590 196191575 /nfs/dbraw/zinc/19/15/75/196191575.db2.gz KFROSXYMRDTYDK-NVXWUHKLSA-N 0 3 286.419 2.515 20 30 CFEDHN C=CCCn1cc(CNc2ccc(C)cc2CN(C)C)nn1 ZINC000657410369 413569649 /nfs/dbraw/zinc/56/96/49/413569649.db2.gz WNMRJZRUJSZYSV-UHFFFAOYSA-N 0 3 299.422 2.836 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@@H]2C2CC2)nn1 ZINC000657489906 413675677 /nfs/dbraw/zinc/67/56/77/413675677.db2.gz BHUOSASHLUMRLE-GOEBONIOSA-N 0 3 274.412 2.770 20 30 CFEDHN C=CCCn1cc(CNCC(C)(C)C2CCC2)nn1 ZINC000657481640 413667046 /nfs/dbraw/zinc/66/70/46/413667046.db2.gz UWNLWCBQHQQRFJ-UHFFFAOYSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2nnc(-c3ccccn3)[n-]2)C1 ZINC000651825782 413670114 /nfs/dbraw/zinc/67/01/14/413670114.db2.gz VUMDXRFBTQNENV-STQMWFEESA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCC[C@H]2C2CC2)nn1 ZINC000657489908 413675822 /nfs/dbraw/zinc/67/58/22/413675822.db2.gz BHUOSASHLUMRLE-ZBFHGGJFSA-N 0 3 274.412 2.770 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C2CC2)C2CCC2)nn1 ZINC000657486968 413672849 /nfs/dbraw/zinc/67/28/49/413672849.db2.gz DGVRWYFSKRUZFQ-OAHLLOKOSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651761218 413621982 /nfs/dbraw/zinc/62/19/82/413621982.db2.gz IYTUQAUFAQORNA-ZYHUDNBSSA-N 0 3 269.747 2.993 20 30 CFEDHN C=CCOc1ccccc1CNCCO[C@H]1CC1(F)F ZINC000657618663 413795377 /nfs/dbraw/zinc/79/53/77/413795377.db2.gz NYQPWTFKWVPVRJ-AWEZNQCLSA-N 0 3 283.318 2.765 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654316036 413811119 /nfs/dbraw/zinc/81/11/19/413811119.db2.gz YXKBYJIMCFTJGT-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654317743 413811266 /nfs/dbraw/zinc/81/12/66/413811266.db2.gz INULOMNAMBFEKA-ZNMIVQPWSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1C(C)(C)C ZINC000661115086 413765883 /nfs/dbraw/zinc/76/58/83/413765883.db2.gz PIJCEIPSTYTBKT-STQMWFEESA-N 0 3 277.416 2.653 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1nccs1 ZINC000661118279 413769964 /nfs/dbraw/zinc/76/99/64/413769964.db2.gz XNGBFDFQWJHYPL-NEPJUHHUSA-N 0 3 279.409 2.806 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000654451630 413868405 /nfs/dbraw/zinc/86/84/05/413868405.db2.gz CZKAGXLCVKUNQB-HNNXBMFYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCCC1(CNC(=O)NC[C@H](C)N(C)C)CCCC1 ZINC000661274983 413868707 /nfs/dbraw/zinc/86/87/07/413868707.db2.gz JXKMCEZXJDWQJP-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000657702364 413870410 /nfs/dbraw/zinc/87/04/10/413870410.db2.gz FIQAMBNBDOVENQ-CVEARBPZSA-N 0 3 273.376 2.645 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](CO)CC1CC1 ZINC000657705129 413874633 /nfs/dbraw/zinc/87/46/33/413874633.db2.gz ILPYCVKVBYJNAT-HNNXBMFYSA-N 0 3 275.392 2.750 20 30 CFEDHN C=CCOc1ccccc1CNCCc1cncc(C)n1 ZINC000657710705 413883410 /nfs/dbraw/zinc/88/34/10/413883410.db2.gz WFSKLSOPCZTWGK-UHFFFAOYSA-N 0 3 283.375 2.682 20 30 CFEDHN C=CCOCCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000657657796 413824617 /nfs/dbraw/zinc/82/46/17/413824617.db2.gz CWAJTDJZQBCZCH-ZDUSSCGKSA-N 0 3 282.409 2.677 20 30 CFEDHN C=CCN(CCc1scnc1C)[C@H](C)COC ZINC000661239000 413842248 /nfs/dbraw/zinc/84/22/48/413842248.db2.gz BKMOJHSVPGEIRO-LLVKDONJSA-N 0 3 254.399 2.517 20 30 CFEDHN C=CCN(CCc1ccccc1F)[C@H](C)COC ZINC000661241363 413843012 /nfs/dbraw/zinc/84/30/12/413843012.db2.gz WNPQAYSGNRIESP-CYBMUJFWSA-N 0 3 251.345 2.891 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000661379486 413937841 /nfs/dbraw/zinc/93/78/41/413937841.db2.gz COJANYDXQDQJIV-OAHLLOKOSA-N 0 3 297.402 2.791 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)CCC)C1 ZINC000661379227 413939715 /nfs/dbraw/zinc/93/97/15/413939715.db2.gz VYDIJGKKFDRDFO-QLFBSQMISA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H]1CCCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000661387333 413940590 /nfs/dbraw/zinc/94/05/90/413940590.db2.gz XYVYXKXRLGEFOP-GHMZBOCLSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnc(OC)nc2C)C1 ZINC000661387368 413941464 /nfs/dbraw/zinc/94/14/64/413941464.db2.gz YFTBJTPFLXQVAX-ZDUSSCGKSA-N 0 3 261.369 2.582 20 30 CFEDHN C=CCCCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654533309 413896986 /nfs/dbraw/zinc/89/69/86/413896986.db2.gz FYJORZFGBRUJKZ-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654573984 413911215 /nfs/dbraw/zinc/91/12/15/413911215.db2.gz XIXUNOCNJOGOBR-CABCVRRESA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000661419765 413964997 /nfs/dbraw/zinc/96/49/97/413964997.db2.gz QJFUQXXNBNDJQO-OWCLPIDISA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654724292 413977495 /nfs/dbraw/zinc/97/74/95/413977495.db2.gz BMSOROMSLGCVBT-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654724293 413981016 /nfs/dbraw/zinc/98/10/16/413981016.db2.gz BMSOROMSLGCVBT-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1-c1ccccc1 ZINC000657855488 414003762 /nfs/dbraw/zinc/00/37/62/414003762.db2.gz DUJRKSQCTGCWNY-GDBMZVCRSA-N 0 3 297.406 2.887 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)[C@@H]1CCCO1 ZINC000037242280 173058749 /nfs/dbraw/zinc/05/87/49/173058749.db2.gz QIJYYQZGDYJQLS-HIFRSBDPSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](C2CCCCC2)C1 ZINC000661582431 414066946 /nfs/dbraw/zinc/06/69/46/414066946.db2.gz DAOMGSJSCIZDHP-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCC1(CNC(=O)N(CC)[C@@H]2CCN(C)C2)CCCC1 ZINC000665049707 414068979 /nfs/dbraw/zinc/06/89/79/414068979.db2.gz NWDRQCXOLWDJEZ-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN CCC[C@]1(NCc2ccc(F)c(C#N)c2)CCOC1 ZINC000285765648 196392423 /nfs/dbraw/zinc/39/24/23/196392423.db2.gz ZUWZYFGDSCJGJD-HNNXBMFYSA-N 0 3 262.328 2.746 20 30 CFEDHN C#CCOc1ccc(Br)cc1CNC(C)C ZINC000037486600 173230279 /nfs/dbraw/zinc/23/02/79/173230279.db2.gz QKJMVRIUTQOVRY-UHFFFAOYSA-N 0 3 282.181 2.959 20 30 CFEDHN C#CCOc1ccc(Br)cc1CNCC ZINC000037486991 173230376 /nfs/dbraw/zinc/23/03/76/173230376.db2.gz FERIQUBBIPMKCV-UHFFFAOYSA-N 0 3 268.154 2.571 20 30 CFEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1F ZINC000037505839 173240835 /nfs/dbraw/zinc/24/08/35/173240835.db2.gz HNWUAOPYHBAFJL-UHFFFAOYSA-N 0 3 270.307 2.996 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(C(N)=O)co1 ZINC000657982728 414085615 /nfs/dbraw/zinc/08/56/15/414085615.db2.gz XBKGGPHWPSOSMB-BXUZGUMPSA-N 0 3 262.353 2.603 20 30 CFEDHN C=CCCCCCNC(=O)CC1CCN(C)CC1 ZINC000655247016 414157253 /nfs/dbraw/zinc/15/72/53/414157253.db2.gz QULDSYQMVMNOGW-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCCCCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000655246980 414157614 /nfs/dbraw/zinc/15/76/14/414157614.db2.gz GGGYAXAWQBCXOF-ZIAGYGMSSA-N 0 3 252.402 2.722 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2cnccc2o1 ZINC000658028725 414113551 /nfs/dbraw/zinc/11/35/51/414113551.db2.gz DVEGZEHKNJIHPX-UHTWSYAYSA-N 0 3 258.321 2.822 20 30 CFEDHN C=CCN(CC(=O)NCc1cccc(C)c1)C(C)(C)C ZINC000661756825 414194315 /nfs/dbraw/zinc/19/43/15/414194315.db2.gz WHBKATVQNFFVDN-UHFFFAOYSA-N 0 3 274.408 2.898 20 30 CFEDHN C=CCC1(NCc2nnc(C)n2C2CC2)CCCC1 ZINC000661848680 414258362 /nfs/dbraw/zinc/25/83/62/414258362.db2.gz NJVCFOKSTJHDOE-UHFFFAOYSA-N 0 3 260.385 2.900 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000658204696 414277159 /nfs/dbraw/zinc/27/71/59/414277159.db2.gz AFHREDFCASKNGT-NSHDSACASA-N 0 3 254.761 2.978 20 30 CFEDHN C=CCC1(NCC(=O)Nc2nccs2)CCCC1 ZINC000661867814 414278289 /nfs/dbraw/zinc/27/82/89/414278289.db2.gz ZKPWUGVFAQZMCR-UHFFFAOYSA-N 0 3 265.382 2.560 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665357849 414295230 /nfs/dbraw/zinc/29/52/30/414295230.db2.gz XOWSBJOTRUHOIO-ZIAGYGMSSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000665384284 414311557 /nfs/dbraw/zinc/31/15/57/414311557.db2.gz ATDKLVPWGNPASF-OAGGEKHMSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000658335055 414384655 /nfs/dbraw/zinc/38/46/55/414384655.db2.gz IDYVWHIDSJYXRW-UKRRQHHQSA-N 0 3 290.407 2.664 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000665390339 414320032 /nfs/dbraw/zinc/32/00/32/414320032.db2.gz BHVHRGIRDXEWQI-HOTGVXAUSA-N 0 3 291.439 2.682 20 30 CFEDHN C=CCC[C@@H](C)N[C@H](CO)c1ccc(F)cc1F ZINC000662164438 414440119 /nfs/dbraw/zinc/44/01/19/414440119.db2.gz DEZFEYNMRUFUKL-QMTHXVAHSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C[C@H](CO)NCCCOc1cccc(C(C)(C)C)c1 ZINC000662165893 414440571 /nfs/dbraw/zinc/44/05/71/414440571.db2.gz VHCJXXUVAYTEPX-OAHLLOKOSA-N 0 3 277.408 2.890 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CCc2c(nnn2C)C1)c1ccco1 ZINC000655825696 414463060 /nfs/dbraw/zinc/46/30/60/414463060.db2.gz AOJZVASPQPVBTL-QWHCGFSZSA-N 0 3 286.379 2.563 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N[C@@H](C)CCC ZINC000662080324 414398063 /nfs/dbraw/zinc/39/80/63/414398063.db2.gz OLQNLBUJGTYZCI-LJISPDSOSA-N 0 3 264.413 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@H]1CCCC[C@H]1C ZINC000662079484 414398958 /nfs/dbraw/zinc/39/89/58/414398958.db2.gz GMJWKQPJQPWVEE-WCVJEAGWSA-N 0 3 276.424 2.864 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)NC)c1 ZINC000662084619 414401333 /nfs/dbraw/zinc/40/13/33/414401333.db2.gz STJYJSGGSXCZHB-IYBDPMFKSA-N 0 3 270.376 2.729 20 30 CFEDHN C=CCCC1(CNC(=O)C2(N)CCCC2)CCCC1 ZINC000662851433 414620342 /nfs/dbraw/zinc/62/03/42/414620342.db2.gz XAETUYNFYSCMBW-UHFFFAOYSA-N 0 3 264.413 2.901 20 30 CFEDHN C=CCN(CCc1nnn(C(C)(C)C)n1)Cc1ccccc1 ZINC000659823648 414571193 /nfs/dbraw/zinc/57/11/93/414571193.db2.gz SUHWWJBIHHRRSM-UHFFFAOYSA-N 0 3 299.422 2.659 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662630963 414581862 /nfs/dbraw/zinc/58/18/62/414581862.db2.gz OFCLIUVBKNWTGL-LBPRGKRZSA-N 0 3 290.432 2.822 20 30 CFEDHN C=CCC1(NC(=O)[C@H]2CNCc3ccccc32)CCCC1 ZINC000662889487 414628476 /nfs/dbraw/zinc/62/84/76/414628476.db2.gz XABNOCVFBJXGGL-INIZCTEOSA-N 0 3 284.403 2.879 20 30 CFEDHN C=CCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000660209800 414681396 /nfs/dbraw/zinc/68/13/96/414681396.db2.gz NTTWUZUNAANNCH-UHFFFAOYSA-N 0 3 287.407 2.526 20 30 CFEDHN N#Cc1cc2c(nc1NCCN1CCCCC1)CCCC2 ZINC000044420082 175173894 /nfs/dbraw/zinc/17/38/94/175173894.db2.gz IAKYEPOPHSUXNS-UHFFFAOYSA-N 0 3 284.407 2.730 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000044825671 175259290 /nfs/dbraw/zinc/25/92/90/175259290.db2.gz IMWSFZXQCKZZHS-DTWKUNHWSA-N 0 3 281.153 2.786 20 30 CFEDHN C[C@@](O)(CNCc1cccc(C#N)c1)c1ccsc1 ZINC000077460287 177271775 /nfs/dbraw/zinc/27/17/75/177271775.db2.gz VDFDKPSUZSWPCP-OAHLLOKOSA-N 0 3 272.373 2.617 20 30 CFEDHN CC1(C)CN(CCCC#N)CCN1Cc1ccccc1 ZINC000078516751 177349125 /nfs/dbraw/zinc/34/91/25/177349125.db2.gz OCHVLEVAZXGXGV-UHFFFAOYSA-N 0 3 271.408 2.887 20 30 CFEDHN N#CC(C(=O)c1ccc2nsnc2c1)c1ccccn1 ZINC000344416264 225052438 /nfs/dbraw/zinc/05/24/38/225052438.db2.gz CMFWKOOEUNVZLA-JTQLQIEISA-N 0 3 280.312 2.576 20 30 CFEDHN C[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182628316 287359451 /nfs/dbraw/zinc/35/94/51/287359451.db2.gz NGHMNBNOBZCYCQ-RHSMWYFYSA-N 0 3 297.402 2.786 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000334806454 225303893 /nfs/dbraw/zinc/30/38/93/225303893.db2.gz LBIVUJXSRCLDJJ-ZFWWWQNUSA-N 0 3 268.360 2.942 20 30 CFEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000347062819 226010804 /nfs/dbraw/zinc/01/08/04/226010804.db2.gz GVCMJTUBKMPWCA-SNVBAGLBSA-N 0 3 264.756 2.893 20 30 CFEDHN CC(C#N)C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000347092602 226046386 /nfs/dbraw/zinc/04/63/86/226046386.db2.gz AIQINGOGPPVQFS-GFCCVEGCSA-N 0 3 274.364 2.639 20 30 CFEDHN CC(C#N)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000347106349 226052245 /nfs/dbraw/zinc/05/22/45/226052245.db2.gz LPXABFQODVWEKH-GFCCVEGCSA-N 0 3 274.364 2.639 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000347987521 226398632 /nfs/dbraw/zinc/39/86/32/226398632.db2.gz KYUQWWWJFZOGIA-VHSXEESVSA-N 0 3 295.180 2.656 20 30 CFEDHN C[C@@H]1CCC[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1C ZINC000360674044 287461607 /nfs/dbraw/zinc/46/16/07/287461607.db2.gz FDKKHBVJEVKVPL-GFOFROLCSA-N 0 3 299.418 2.747 20 30 CFEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000352698695 227164989 /nfs/dbraw/zinc/16/49/89/227164989.db2.gz WQYYDXXMHSRPMG-BRWVUGGUSA-N 0 3 282.387 2.795 20 30 CFEDHN CC[C@H](C(=O)N[C@H](C#N)c1ccccc1F)N(CC)CC ZINC000349485966 287506526 /nfs/dbraw/zinc/50/65/26/287506526.db2.gz WMVYYTKQVQRUQC-HUUCEWRRSA-N 0 3 291.370 2.627 20 30 CFEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CC1(C)C ZINC000330180088 228057351 /nfs/dbraw/zinc/05/73/51/228057351.db2.gz FTPXJZKRHQULNJ-KBPBESRZSA-N 0 3 290.411 2.616 20 30 CFEDHN O=C(NCC1(CCO)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000330255685 228082263 /nfs/dbraw/zinc/08/22/63/228082263.db2.gz PSIJBVNHPPVFHW-AWEZNQCLSA-N 0 3 280.412 2.513 20 30 CFEDHN Cc1cc(Br)cc(C)c1CNC(=O)C(C)C#N ZINC000335998658 228176217 /nfs/dbraw/zinc/17/62/17/228176217.db2.gz HOTHSAUMYDEOLY-SNVBAGLBSA-N 0 3 295.180 2.842 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCOCC12CCC2 ZINC000333430490 228200469 /nfs/dbraw/zinc/20/04/69/228200469.db2.gz JYKQDGYDMUGXDL-INIZCTEOSA-N 0 3 298.386 2.540 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccco1 ZINC001085370596 782027679 /nfs/dbraw/zinc/02/76/79/782027679.db2.gz YJKQKJKJCQHTHK-ZIAGYGMSSA-N 0 3 296.798 2.592 20 30 CFEDHN C#CCN(CCn1ccnc1)[C@H]1CCc2ccccc21 ZINC000179453361 260048712 /nfs/dbraw/zinc/04/87/12/260048712.db2.gz OZKBUNVVOCTFMK-KRWDZBQOSA-N 0 3 265.360 2.506 20 30 CFEDHN C=C(C)CN1CCC(N[C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000297775982 260133978 /nfs/dbraw/zinc/13/39/78/260133978.db2.gz PKFCBNIRMUQXKE-HIFRSBDPSA-N 0 3 274.412 2.519 20 30 CFEDHN C=CCN(C(=O)NC[C@@H](C)N1CCCC[C@@H]1C)C1CC1 ZINC000357569163 260231828 /nfs/dbraw/zinc/23/18/28/260231828.db2.gz KYMNHXTYKBUNBW-UONOGXRCSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCN(C(=O)NC[C@@H](C)N1CCCC[C@H]1C)C1CC1 ZINC000357569180 260231859 /nfs/dbraw/zinc/23/18/59/260231859.db2.gz KYMNHXTYKBUNBW-ZIAGYGMSSA-N 0 3 279.428 2.609 20 30 CFEDHN Cc1csc(C(C)(C)NCCCSCC#N)n1 ZINC000080732805 260318376 /nfs/dbraw/zinc/31/83/76/260318376.db2.gz UPXXDVDLYJBFPU-UHFFFAOYSA-N 0 3 269.439 2.923 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000090451373 260359725 /nfs/dbraw/zinc/35/97/25/260359725.db2.gz UPVDEEXJBXHAFB-LBPRGKRZSA-N 0 3 263.337 2.659 20 30 CFEDHN CC[C@H](c1ccccc1OC)N(C)C(=O)C(C)C#N ZINC000360551280 261076315 /nfs/dbraw/zinc/07/63/15/261076315.db2.gz SSDCPDQPZUIIKK-DGCLKSJQSA-N 0 3 260.337 2.764 20 30 CFEDHN COC(=O)c1ccc(Cl)c(CNCCCCC#N)c1 ZINC000360995620 261144103 /nfs/dbraw/zinc/14/41/03/261144103.db2.gz LQWTZPIOYXIGRB-UHFFFAOYSA-N 0 3 280.755 2.910 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000248915374 261217059 /nfs/dbraw/zinc/21/70/59/261217059.db2.gz ZNPSRPVYZZVWBC-ICSRJNTNSA-N 0 3 294.442 2.987 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cscn1)C(C)C ZINC000103205750 261277162 /nfs/dbraw/zinc/27/71/62/261277162.db2.gz XURVEHINNYKUHQ-CQSZACIVSA-N 0 3 293.436 2.572 20 30 CFEDHN C=CCSCCNCc1cccc2c1OCCCO2 ZINC000105462366 261359386 /nfs/dbraw/zinc/35/93/86/261359386.db2.gz JIMFBVGLIZJUFJ-UHFFFAOYSA-N 0 3 279.405 2.857 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cccc(F)c1F ZINC000183301403 261970734 /nfs/dbraw/zinc/97/07/34/261970734.db2.gz CVJVGKXITNJETA-JTQLQIEISA-N 0 3 255.333 2.982 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(N3CCCC3)nc2)C1 ZINC000185711649 262067698 /nfs/dbraw/zinc/06/76/98/262067698.db2.gz PFXXRFNMUHMSMD-ZBFHGGJFSA-N 0 3 284.407 2.854 20 30 CFEDHN CC#CCCN1CCC(C(=O)Nc2nc(C)cs2)CC1 ZINC000364022063 262104855 /nfs/dbraw/zinc/10/48/55/262104855.db2.gz HZQFWIXNHDPLQC-UHFFFAOYSA-N 0 3 291.420 2.515 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000192668963 262208315 /nfs/dbraw/zinc/20/83/15/262208315.db2.gz MWBDWSCDULDIQS-GOEBONIOSA-N 0 3 297.402 2.985 20 30 CFEDHN C=CCCOCCNCc1c[nH]nc1-c1ccc(C)o1 ZINC000120889141 262239445 /nfs/dbraw/zinc/23/94/45/262239445.db2.gz UQMLMQCGQVAXCP-UHFFFAOYSA-N 0 3 275.352 2.660 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccc(C)cc2)C1 ZINC000364653304 262256276 /nfs/dbraw/zinc/25/62/76/262256276.db2.gz DREGYPPWHUBUHJ-KRWDZBQOSA-N 0 3 299.418 2.547 20 30 CFEDHN Cc1cc(C)nc(C2CCN(CCCCC#N)CC2)n1 ZINC000364948333 262265208 /nfs/dbraw/zinc/26/52/08/262265208.db2.gz CZMWMMQCYJOVEL-UHFFFAOYSA-N 0 3 272.396 2.967 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCC1 ZINC000365159639 262281207 /nfs/dbraw/zinc/28/12/07/262281207.db2.gz ZSRWIYZWFWKMBX-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN CC1(C)CC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000525828799 262392080 /nfs/dbraw/zinc/39/20/80/262392080.db2.gz YOFJFRDIONATCG-MRXNPFEDSA-N 0 3 295.386 2.793 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)cc1F ZINC000320250613 262480817 /nfs/dbraw/zinc/48/08/17/262480817.db2.gz IDAVDWMLYPJPFB-NWDGAFQWSA-N 0 3 267.344 2.812 20 30 CFEDHN C=CCOCCN(CCC)C[C@@H]1COc2ccccc2O1 ZINC000338900260 262568670 /nfs/dbraw/zinc/56/86/70/262568670.db2.gz FKSOHEBEWNIZPE-OAHLLOKOSA-N 0 3 291.391 2.741 20 30 CFEDHN CCCN(CCN1CCCCC1)C[C@@H](C#N)CCC#N ZINC000411725498 262705299 /nfs/dbraw/zinc/70/52/99/262705299.db2.gz GBWVOFROOGGAEN-MRXNPFEDSA-N 0 3 276.428 2.628 20 30 CFEDHN C=CCNC(=O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411990778 262712835 /nfs/dbraw/zinc/71/28/35/262712835.db2.gz SVLURWDEBDOATI-INIZCTEOSA-N 0 3 284.403 2.558 20 30 CFEDHN C[C@H](C#N)CN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000264258428 262886131 /nfs/dbraw/zinc/88/61/31/262886131.db2.gz ORWKAHMBSAZPNU-CQSZACIVSA-N 0 3 285.391 2.514 20 30 CFEDHN CCOc1cccc(CN2CCC(C)(C#N)CC2)c1O ZINC000272586768 263007301 /nfs/dbraw/zinc/00/73/01/263007301.db2.gz ZFGWIOLWLLDTAZ-UHFFFAOYSA-N 0 3 274.364 2.917 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274656340 263028841 /nfs/dbraw/zinc/02/88/41/263028841.db2.gz UMBCMGAZFPEOKJ-SGMGOOAPSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000276313080 263035910 /nfs/dbraw/zinc/03/59/10/263035910.db2.gz MVDOWYDTBVSWTO-CHWSQXEVSA-N 0 3 287.363 2.986 20 30 CFEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@@H](C)CCC#N ZINC000276340081 263036438 /nfs/dbraw/zinc/03/64/38/263036438.db2.gz TUCHYXQIVUKPOM-UONOGXRCSA-N 0 3 274.364 2.841 20 30 CFEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@H](C)CCC#N ZINC000276340083 263036467 /nfs/dbraw/zinc/03/64/67/263036467.db2.gz TUCHYXQIVUKPOM-ZIAGYGMSSA-N 0 3 274.364 2.841 20 30 CFEDHN C=CCOc1cccc(CNCCOC(F)(F)F)c1 ZINC000353188959 263041229 /nfs/dbraw/zinc/04/12/29/263041229.db2.gz DHFGEMZHKUUXRW-UHFFFAOYSA-N 0 3 275.270 2.877 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc(C3OCCO3)cc2)C1 ZINC000278385256 263047745 /nfs/dbraw/zinc/04/77/45/263047745.db2.gz DITOYKYERYFINW-HOCLYGCPSA-N 0 3 286.375 2.904 20 30 CFEDHN CCN(Cc1ccc2c(c1)OCO2)[C@H]1CC[C@H](C#N)C1 ZINC000278521749 263048684 /nfs/dbraw/zinc/04/86/84/263048684.db2.gz CPOUYJULJULSBZ-JSGCOSHPSA-N 0 3 272.348 2.929 20 30 CFEDHN CCN(Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](C#N)C1 ZINC000278521756 263048740 /nfs/dbraw/zinc/04/87/40/263048740.db2.gz CPOUYJULJULSBZ-TZMCWYRMSA-N 0 3 272.348 2.929 20 30 CFEDHN Cc1ccccc1OCCN(C)[C@H]1CC[C@H](C#N)C1 ZINC000278672348 263049721 /nfs/dbraw/zinc/04/97/21/263049721.db2.gz RBPWDSDRQVGPCS-GJZGRUSLSA-N 0 3 258.365 2.998 20 30 CFEDHN COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1O ZINC000278701862 263050009 /nfs/dbraw/zinc/05/00/09/263050009.db2.gz TTWBBSAIQFRQPE-YPMHNXCESA-N 0 3 260.337 2.525 20 30 CFEDHN C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279452381 263055622 /nfs/dbraw/zinc/05/56/22/263055622.db2.gz SUURNXGZYPXTKH-CQSZACIVSA-N 0 3 295.390 2.701 20 30 CFEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279673774 263056657 /nfs/dbraw/zinc/05/66/57/263056657.db2.gz FWAASYJXVFQHQJ-COXVUDFISA-N 0 3 295.386 2.935 20 30 CFEDHN C[C@@H]1C[C@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279683514 263056770 /nfs/dbraw/zinc/05/67/70/263056770.db2.gz FBZMFGURNZQMDO-JKIFEVAISA-N 0 3 295.386 2.745 20 30 CFEDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000280156762 263059307 /nfs/dbraw/zinc/05/93/07/263059307.db2.gz FAFMDAVIXOYJAA-INIZCTEOSA-N 0 3 299.418 2.654 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280383333 263060984 /nfs/dbraw/zinc/06/09/84/263060984.db2.gz KAUNZSCZBIOABV-DYVFJYSZSA-N 0 3 295.386 2.935 20 30 CFEDHN CC[C@H](C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280399379 263061079 /nfs/dbraw/zinc/06/10/79/263061079.db2.gz KTFKKSWEQSECRF-BBRMVZONSA-N 0 3 283.375 2.745 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)N1CCCC[C@H]1C ZINC000340066737 263065600 /nfs/dbraw/zinc/06/56/00/263065600.db2.gz INVLMDZFNGGNKY-CABCVRRESA-N 0 3 299.418 2.745 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340093198 263069121 /nfs/dbraw/zinc/06/91/21/263069121.db2.gz CORLPECDDZONGJ-HOCLYGCPSA-N 0 3 284.403 2.699 20 30 CFEDHN CC(C)(C#N)CCCN[C@@]1(CO)CCOc2ccccc21 ZINC000281689087 263071074 /nfs/dbraw/zinc/07/10/74/263071074.db2.gz MWSPNFJLMSMUMQ-QGZVFWFLSA-N 0 3 288.391 2.576 20 30 CFEDHN N#CCCCN1CCC(N2CCc3ccccc32)CC1 ZINC000282059554 263074029 /nfs/dbraw/zinc/07/40/29/263074029.db2.gz MMZSZBICIVAEDW-UHFFFAOYSA-N 0 3 269.392 2.817 20 30 CFEDHN COCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(C)o1 ZINC000282406874 263076380 /nfs/dbraw/zinc/07/63/80/263076380.db2.gz RYGRWCATTGREFC-MJBXVCDLSA-N 0 3 262.353 2.948 20 30 CFEDHN CC[C@@H](NCC1CCC(C#N)CC1)c1nccn1C ZINC000282458089 263076733 /nfs/dbraw/zinc/07/67/33/263076733.db2.gz VLENQDIRVIUTIG-JXQTWKCFSA-N 0 3 260.385 2.791 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284797310 263087909 /nfs/dbraw/zinc/08/79/09/263087909.db2.gz PDQPCXTXVZSXJP-KRWDZBQOSA-N 0 3 285.435 2.785 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000285121620 263090389 /nfs/dbraw/zinc/09/03/89/263090389.db2.gz VPDFAVGWENLNHG-SJLPKXTDSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1csc(C2CC2)n1 ZINC000340202505 263092043 /nfs/dbraw/zinc/09/20/43/263092043.db2.gz JSHCKHAVIOYBOC-UHFFFAOYSA-N 0 3 279.453 2.960 20 30 CFEDHN C[C@](CO)(NCCCC#N)c1ccc(Br)cc1 ZINC000285341645 263092326 /nfs/dbraw/zinc/09/23/26/263092326.db2.gz CVVHIIGNYLRNBK-CYBMUJFWSA-N 0 3 297.196 2.550 20 30 CFEDHN CC[C@@](C)(C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000285440605 263093065 /nfs/dbraw/zinc/09/30/65/263093065.db2.gz PLMGXFZXRMNDDA-INIZCTEOSA-N 0 3 284.363 2.989 20 30 CFEDHN CCCCCCCCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000285922972 263096602 /nfs/dbraw/zinc/09/66/02/263096602.db2.gz DWSIUCOSZMMNMT-LBPRGKRZSA-N 0 3 251.374 2.781 20 30 CFEDHN CCc1ccc([C@H](O)CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000287305756 263101590 /nfs/dbraw/zinc/10/15/90/263101590.db2.gz DTZPBGTYNSWONE-USXIJHARSA-N 0 3 272.392 2.954 20 30 CFEDHN c1ccc(CN2CCCO[C@@H](CON=C3CCC3)C2)cc1 ZINC000289454970 263110331 /nfs/dbraw/zinc/11/03/31/263110331.db2.gz VGCFMTNQVNCATJ-QGZVFWFLSA-N 0 3 288.391 2.834 20 30 CFEDHN CCCCCCCC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000366675823 263115056 /nfs/dbraw/zinc/11/50/56/263115056.db2.gz CMFHDQVYZOGBIL-UHFFFAOYSA-N 0 3 298.471 2.652 20 30 CFEDHN CC(C)(CCC#N)C[NH2+][C@@H](c1cccs1)c1nnc[n-]1 ZINC000340390108 263130582 /nfs/dbraw/zinc/13/05/82/263130582.db2.gz HXEXOGHJPBSFLY-LBPRGKRZSA-N 0 3 289.408 2.875 20 30 CFEDHN CC(C)(CCC#N)CN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000340390108 263130583 /nfs/dbraw/zinc/13/05/83/263130583.db2.gz HXEXOGHJPBSFLY-LBPRGKRZSA-N 0 3 289.408 2.875 20 30 CFEDHN N#CCCCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292862969 263135746 /nfs/dbraw/zinc/13/57/46/263135746.db2.gz WMGXMMIYQPBEHX-HNNXBMFYSA-N 0 3 258.365 2.784 20 30 CFEDHN COc1ccc([C@@H](C)N(C)CCOCCC#N)cc1 ZINC000293409122 263139908 /nfs/dbraw/zinc/13/99/08/263139908.db2.gz IBQGWKLUXOCGEM-CYBMUJFWSA-N 0 3 262.353 2.618 20 30 CFEDHN CN(CCOCCC#N)CCOc1ccccc1Cl ZINC000293666954 263146519 /nfs/dbraw/zinc/14/65/19/263146519.db2.gz ZBZLQJQRQYDWOD-UHFFFAOYSA-N 0 3 282.771 2.581 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(CO)(c3ccccc3)CC2)C1 ZINC000293692798 263147251 /nfs/dbraw/zinc/14/72/51/263147251.db2.gz WMAAIHFQRBRVIG-DOTOQJQBSA-N 0 3 284.403 2.705 20 30 CFEDHN COc1ccc([C@@H](C)NCCOCCC#N)c(C)c1OC ZINC000293713735 263147680 /nfs/dbraw/zinc/14/76/80/263147680.db2.gz XYAJELDCCZAPHS-CYBMUJFWSA-N 0 3 292.379 2.593 20 30 CFEDHN CCOC(=O)c1ccc(CN[C@H]2CC[C@@H](CC#N)C2)o1 ZINC000295020998 263170823 /nfs/dbraw/zinc/17/08/23/263170823.db2.gz KPEQUQXTBFGMOB-RYUDHWBXSA-N 0 3 276.336 2.628 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCCc2c(Br)cccc21 ZINC000353570538 263175569 /nfs/dbraw/zinc/17/55/69/263175569.db2.gz TXTYSIMSZWJJJB-IINYFYTJSA-N 0 3 296.208 2.963 20 30 CFEDHN C[C@@H](N[C@H](C)c1cccc(C2CC2)c1)C(=O)N(C)CCC#N ZINC000295558457 263179529 /nfs/dbraw/zinc/17/95/29/263179529.db2.gz XSAXAPZMBUQNOG-ZIAGYGMSSA-N 0 3 299.418 2.975 20 30 CFEDHN COc1cc(CN(C)[C@@H](C)CCC#N)cc(OC)c1 ZINC000298302259 263217127 /nfs/dbraw/zinc/21/71/27/263217127.db2.gz YEDJUFAUPPKDAE-LBPRGKRZSA-N 0 3 262.353 2.828 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000298615271 263223005 /nfs/dbraw/zinc/22/30/05/263223005.db2.gz UFZMHJBVAAPXOU-GJZGRUSLSA-N 0 3 285.391 2.664 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCC[C@H]1C(=O)NC)c1ccco1 ZINC000353617617 263271429 /nfs/dbraw/zinc/27/14/29/263271429.db2.gz DSIPMFJNGVJNOA-RDBSUJKOSA-N 0 3 276.380 2.791 20 30 CFEDHN C=C(C)CNCc1cc(OC)c(OCC)c(OC)c1 ZINC000119644451 263276049 /nfs/dbraw/zinc/27/60/49/263276049.db2.gz OXOQGNDIWDTMNH-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN C=CCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000119662202 263276840 /nfs/dbraw/zinc/27/68/40/263276840.db2.gz CGQILVVWROBBNL-HOCLYGCPSA-N 0 3 272.392 2.589 20 30 CFEDHN C=CCOc1ccccc1CNCCc1cccnc1OC ZINC000353097223 263285943 /nfs/dbraw/zinc/28/59/43/263285943.db2.gz SDVGXDFCIBXAOB-UHFFFAOYSA-N 0 3 298.386 2.987 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000121151149 263290297 /nfs/dbraw/zinc/29/02/97/263290297.db2.gz IPFGLENABBOYHH-ZDUSSCGKSA-N 0 3 271.364 2.783 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc2cc(Cl)ccc2n1C ZINC000341326785 263331310 /nfs/dbraw/zinc/33/13/10/263331310.db2.gz XXYMIIFKPAXSFL-LLVKDONJSA-N 0 3 293.798 2.501 20 30 CFEDHN C=CCOc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000341562878 263341825 /nfs/dbraw/zinc/34/18/25/263341825.db2.gz KQZVNKBYYOCPKM-UHFFFAOYSA-N 0 3 273.376 2.864 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000341870846 263360691 /nfs/dbraw/zinc/36/06/91/263360691.db2.gz BTJSNAQXWQFJFA-NEPJUHHUSA-N 0 3 297.370 2.678 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000341884560 263362996 /nfs/dbraw/zinc/36/29/96/263362996.db2.gz VSGGLRWOOHSGPZ-GHMZBOCLSA-N 0 3 255.308 2.800 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2ccc(F)cc21 ZINC000341888175 263364049 /nfs/dbraw/zinc/36/40/49/263364049.db2.gz PPKSAMATMMJXLT-SWLSCSKDSA-N 0 3 279.355 2.814 20 30 CFEDHN CN(C)CC1(NC(=O)C[C@H](CC#N)c2ccccc2)CCC1 ZINC000341957052 263371099 /nfs/dbraw/zinc/37/10/99/263371099.db2.gz HCUBDTRJVXRYNH-INIZCTEOSA-N 0 3 299.418 2.674 20 30 CFEDHN C=CCOCCCNC1(c2cccc(C#N)c2)CC1 ZINC000341965470 263372022 /nfs/dbraw/zinc/37/20/22/263372022.db2.gz JXRUTUVDMINDNB-UHFFFAOYSA-N 0 3 256.349 2.730 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(CC(F)(F)F)CC1 ZINC000341974171 263373027 /nfs/dbraw/zinc/37/30/27/263373027.db2.gz HLIRFBOSUSRHAL-GFCCVEGCSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCOCCCN1CCC(F)(c2cccnc2)CC1 ZINC000342159765 263402025 /nfs/dbraw/zinc/40/20/25/263402025.db2.gz SLXXVPBPBQNHFN-UHFFFAOYSA-N 0 3 278.371 2.935 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2COCc3ccccc32)C1 ZINC000417340598 263803094 /nfs/dbraw/zinc/80/30/94/263803094.db2.gz APRYGHFNUHFTHY-XNRPHZJLSA-N 0 3 256.349 2.930 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCCCCC1 ZINC000123087236 263810263 /nfs/dbraw/zinc/81/02/63/263810263.db2.gz SSORUGOFPJDOGN-UHFFFAOYSA-N 0 3 264.413 2.747 20 30 CFEDHN Cc1ccccc1[C@H](C)NCC(=O)NC1(C#N)CCCCC1 ZINC000123190384 263811130 /nfs/dbraw/zinc/81/11/30/263811130.db2.gz GMCPHYHDRWWFEV-HNNXBMFYSA-N 0 3 299.418 2.988 20 30 CFEDHN O=C(N[C@H](CO)CC1CCCC1)C1CCN(C2CC2)CC1 ZINC000328667289 263835973 /nfs/dbraw/zinc/83/59/73/263835973.db2.gz DJWPQPOHGFVNDL-HNNXBMFYSA-N 0 3 294.439 2.759 20 30 CFEDHN C[C@H]1CN(c2ccccc2CN[C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000425346127 264017729 /nfs/dbraw/zinc/01/77/29/264017729.db2.gz BAULMSOWTFHPQG-YQQAZPJKSA-N 0 3 299.418 2.694 20 30 CFEDHN C=CCn1cc(CNCC[C@@H](C)c2ccccc2)nn1 ZINC000425346059 264017958 /nfs/dbraw/zinc/01/79/58/264017958.db2.gz AUOFEGVMEXPSDZ-CQSZACIVSA-N 0 3 270.380 2.748 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000330899045 264079235 /nfs/dbraw/zinc/07/92/35/264079235.db2.gz IRMCKWFMHFNQDY-NWDGAFQWSA-N 0 3 291.351 2.691 20 30 CFEDHN CCCn1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1C ZINC000330958964 264088096 /nfs/dbraw/zinc/08/80/96/264088096.db2.gz ASLNXPABYLSWAP-SMDDNHRTSA-N 0 3 292.427 2.697 20 30 CFEDHN CNC(=O)c1cccc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000331277100 264170663 /nfs/dbraw/zinc/17/06/63/264170663.db2.gz FVOLYYKWGPQQQU-HEHGZKQESA-N 0 3 290.407 2.602 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000126220090 264211343 /nfs/dbraw/zinc/21/13/43/264211343.db2.gz JCVOYUMTQLBWPI-LSDHHAIUSA-N 0 3 278.440 2.991 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1CCC(C)(C)CC1 ZINC000127536719 264252349 /nfs/dbraw/zinc/25/23/49/264252349.db2.gz YQYDDNBVDAOCOM-QGZVFWFLSA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1CCC(C)(C)CC1 ZINC000127536903 264252357 /nfs/dbraw/zinc/25/23/57/264252357.db2.gz YQYDDNBVDAOCOM-KRWDZBQOSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@@H](NCCOCC(F)F)c1ccc(OCC#N)cc1 ZINC000189843275 264334439 /nfs/dbraw/zinc/33/44/39/264334439.db2.gz FMZWRUNVERYHBH-LLVKDONJSA-N 0 3 284.306 2.521 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccn2)nc1 ZINC000425495214 264360821 /nfs/dbraw/zinc/36/08/21/264360821.db2.gz SAWPCIVOEFKMFE-SJORKVTESA-N 0 3 281.359 2.577 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000280816252 264462232 /nfs/dbraw/zinc/46/22/32/264462232.db2.gz UTCOZKJOSIIPCH-GOEBONIOSA-N 0 3 261.365 2.771 20 30 CFEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)C#N ZINC000347739997 265134185 /nfs/dbraw/zinc/13/41/85/265134185.db2.gz ZMBXVLRGZIEVSB-SMDDNHRTSA-N 0 3 262.328 2.669 20 30 CFEDHN CCCOc1ccc(CNC(=O)C(C)C#N)c(C)c1 ZINC000356634512 266151949 /nfs/dbraw/zinc/15/19/49/266151949.db2.gz MFHUINVYJDLVHC-GFCCVEGCSA-N 0 3 260.337 2.560 20 30 CFEDHN C=CCOc1ccc(CN(C)CCc2cnccn2)cc1 ZINC000357217694 266266310 /nfs/dbraw/zinc/26/63/10/266266310.db2.gz VRVZAURFTWMZJX-UHFFFAOYSA-N 0 3 283.375 2.716 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357273435 266269643 /nfs/dbraw/zinc/26/96/43/266269643.db2.gz MXJACTRQMZSTEK-GUTXKFCHSA-N 0 3 275.396 2.552 20 30 CFEDHN C=CCN(C[C@@H](O)COc1cc(C)ccc1C)C1CC1 ZINC000357552315 266321713 /nfs/dbraw/zinc/32/17/13/266321713.db2.gz LTZRGDOKHUPWQW-MRXNPFEDSA-N 0 3 275.392 2.694 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1OC ZINC000357811937 266371093 /nfs/dbraw/zinc/37/10/93/266371093.db2.gz YKLCSYFVGFKBKX-YPMHNXCESA-N 0 3 288.347 2.527 20 30 CFEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000357823785 266372881 /nfs/dbraw/zinc/37/28/81/266372881.db2.gz INXWFKFUSBYRKW-GWCFXTLKSA-N 0 3 270.336 2.536 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000357840152 266373690 /nfs/dbraw/zinc/37/36/90/266373690.db2.gz XNSNMNWOMFQEOF-ZDUSSCGKSA-N 0 3 297.358 2.892 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)c(OC)c1 ZINC000357837337 266374610 /nfs/dbraw/zinc/37/46/10/266374610.db2.gz SJZXOBXPWXPUDM-FZMZJTMJSA-N 0 3 288.347 2.527 20 30 CFEDHN CC[C@@](C)(CNCc1ccc(C#N)cc1F)OC ZINC000322754329 266389792 /nfs/dbraw/zinc/38/97/92/266389792.db2.gz CTEVFWRGLDLKMZ-AWEZNQCLSA-N 0 3 250.317 2.602 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000362659567 267031779 /nfs/dbraw/zinc/03/17/79/267031779.db2.gz VNBWRVRQDVJLCX-CHWSQXEVSA-N 0 3 293.436 2.759 20 30 CFEDHN CCCCC[C@@H]1CCCN1CC(=O)N(CC)CCC#N ZINC000362958116 267066834 /nfs/dbraw/zinc/06/68/34/267066834.db2.gz NPBJSIMRCVHYSG-OAHLLOKOSA-N 0 3 279.428 2.793 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](c3noc(C)n3)C2)cc1 ZINC000368017541 267135172 /nfs/dbraw/zinc/13/51/72/267135172.db2.gz NBWOGYQLFKEMPV-MRXNPFEDSA-N 0 3 281.359 2.739 20 30 CFEDHN C=CCN(CCC(=O)NCCCC)Cc1ccccc1 ZINC000116272544 267136043 /nfs/dbraw/zinc/13/60/43/267136043.db2.gz UUJWKWAUKIVVSK-UHFFFAOYSA-N 0 3 274.408 2.981 20 30 CFEDHN C=CCC[C@@H](O)CN1CCc2scc(C)c2C1 ZINC000368469032 267175181 /nfs/dbraw/zinc/17/51/81/267175181.db2.gz CYJYSRBHYVHWLT-GFCCVEGCSA-N 0 3 251.395 2.742 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC23CCOCC3)cc1 ZINC000368472783 267175728 /nfs/dbraw/zinc/17/57/28/267175728.db2.gz ASEZAGIXBJQQCY-AWEZNQCLSA-N 0 3 286.375 2.732 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@H]3COC[C@H]32)cc1 ZINC000368528700 267181037 /nfs/dbraw/zinc/18/10/37/267181037.db2.gz SWJWBIUQLGPJPV-FUHWJXTLSA-N 0 3 285.387 2.700 20 30 CFEDHN N#CCCCCN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000369446764 267242573 /nfs/dbraw/zinc/24/25/73/267242573.db2.gz NJDDRIVPWSUTRZ-QGZVFWFLSA-N 0 3 280.375 2.982 20 30 CFEDHN C=C(Cl)CN(C)C1CCN(Cc2cc(C)no2)CC1 ZINC000370197021 267297972 /nfs/dbraw/zinc/29/79/72/267297972.db2.gz HRCMKHMOWMJUDP-UHFFFAOYSA-N 0 3 283.803 2.632 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000119280735 267314352 /nfs/dbraw/zinc/31/43/52/267314352.db2.gz VGQNNMVKEFTSCN-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000371057755 267348462 /nfs/dbraw/zinc/34/84/62/267348462.db2.gz XMVMEEQFSNRUPY-CABCVRRESA-N 0 3 289.423 2.546 20 30 CFEDHN COc1cccc2c1CC[C@H](NCC1(C#N)CCC1)C2 ZINC000418143597 267364950 /nfs/dbraw/zinc/36/49/50/267364950.db2.gz QSGOYONEKYUWNZ-AWEZNQCLSA-N 0 3 270.376 2.836 20 30 CFEDHN Cc1nnc([C@H]2CC23CCN(CCC(C)(C)C#N)CC3)o1 ZINC000371204319 267370021 /nfs/dbraw/zinc/37/00/21/267370021.db2.gz GZGLFXALQCRYIO-CYBMUJFWSA-N 0 3 288.395 2.887 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418153670 267372033 /nfs/dbraw/zinc/37/20/33/267372033.db2.gz WPQMTUGVYORRBT-ZBFHGGJFSA-N 0 3 287.407 2.527 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000371221318 267374568 /nfs/dbraw/zinc/37/45/68/267374568.db2.gz WECCLBJFFNNZLN-QZTJIDSGSA-N 0 3 285.387 2.746 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000371221317 267374649 /nfs/dbraw/zinc/37/46/49/267374649.db2.gz WECCLBJFFNNZLN-MSOLQXFVSA-N 0 3 285.387 2.746 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC12CCCCC2 ZINC000372278293 267540593 /nfs/dbraw/zinc/54/05/93/267540593.db2.gz PQNGWMAUJJMVQY-MRXNPFEDSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1sccc1C#N ZINC000302809208 267549832 /nfs/dbraw/zinc/54/98/32/267549832.db2.gz UABDNNHUJBTDGD-UHFFFAOYSA-N 0 3 275.377 2.622 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@@H](CCC#N)c1ccccc1 ZINC000123163071 268003740 /nfs/dbraw/zinc/00/37/40/268003740.db2.gz SLAUZCAUQQALCY-ZBFHGGJFSA-N 0 3 268.364 2.906 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2C[C@@H](CO)c3ccccc32)C1 ZINC000377081685 268045278 /nfs/dbraw/zinc/04/52/78/268045278.db2.gz XKPKVNDINCCCKJ-FHIRATQRSA-N 0 3 270.376 2.879 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@H]1CCCc2cccnc21 ZINC000377247965 268060293 /nfs/dbraw/zinc/06/02/93/268060293.db2.gz CVHHOYDUVJYKCD-CABCVRRESA-N 0 3 260.381 2.718 20 30 CFEDHN Cc1ccnc(NC[C@H]2CCN2C2CCCC2)c1C#N ZINC000528207648 268063694 /nfs/dbraw/zinc/06/36/94/268063694.db2.gz HWKALNVHQACUTL-CQSZACIVSA-N 0 3 270.380 2.691 20 30 CFEDHN CCC1(CC)CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000515352329 270369115 /nfs/dbraw/zinc/36/91/15/270369115.db2.gz XJAAAGNJIGRUFS-UHFFFAOYSA-N 0 3 283.379 2.613 20 30 CFEDHN Cc1csc(NC(=O)N(CCN(C)C)C(C)C)c1C#N ZINC000516580593 270384480 /nfs/dbraw/zinc/38/44/80/270384480.db2.gz LLGMCELXFARFMD-UHFFFAOYSA-N 0 3 294.424 2.732 20 30 CFEDHN C#CCCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000277514308 273477338 /nfs/dbraw/zinc/47/73/38/273477338.db2.gz QUALFOMTDISFEV-RHSMWYFYSA-N 0 3 272.392 2.598 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2cc(Br)ccc21 ZINC000353564000 273488006 /nfs/dbraw/zinc/48/80/06/273488006.db2.gz GXTZLGCPMKCICN-TZMCWYRMSA-N 0 3 296.208 2.963 20 30 CFEDHN CC(C)CN1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061851228 273513264 /nfs/dbraw/zinc/51/32/64/273513264.db2.gz GDLFNWNNEIVWPX-UHFFFAOYSA-N 0 3 277.799 2.990 20 30 CFEDHN CC(C)c1ccc2ncc(C#N)c(N3CC(N(C)C)C3)c2c1 ZINC000447672540 273564405 /nfs/dbraw/zinc/56/44/05/273564405.db2.gz QETWOGMCCODQKH-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN COC[C@H](C)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362104119 274047703 /nfs/dbraw/zinc/04/77/03/274047703.db2.gz BRBMIUKLRPHYRU-ZDUSSCGKSA-N 0 3 256.349 2.682 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC2(C1)CCOCC2 ZINC000276757085 275388612 /nfs/dbraw/zinc/38/86/12/275388612.db2.gz GIVFONZIVLAAOT-UHFFFAOYSA-N 0 3 255.361 2.541 20 30 CFEDHN CCN(C[C@@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355683811 276135328 /nfs/dbraw/zinc/13/53/28/276135328.db2.gz UEPLXGXYQHBGMA-RDJZCZTQSA-N 0 3 271.408 2.742 20 30 CFEDHN CCN1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567070 276187225 /nfs/dbraw/zinc/18/72/25/276187225.db2.gz JAIRQAIAKKESJQ-JSGCOSHPSA-N 0 3 275.371 2.832 20 30 CFEDHN CCN(C(=O)[C@H](C)C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000344083880 276300567 /nfs/dbraw/zinc/30/05/67/276300567.db2.gz ZYOCPRISQNFOQR-INMHGKMJSA-N 0 3 299.418 2.830 20 30 CFEDHN C#Cc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1 ZINC000289290290 276800646 /nfs/dbraw/zinc/80/06/46/276800646.db2.gz POJRPQLIOCHZFU-GJZGRUSLSA-N 0 3 284.403 2.547 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C#N)cc2)CCCC1 ZINC000280373279 277314770 /nfs/dbraw/zinc/31/47/70/277314770.db2.gz JOSBDAVFDDSXFG-UHFFFAOYSA-N 0 3 272.348 2.524 20 30 CFEDHN C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc(C#N)c1 ZINC000075984760 278253085 /nfs/dbraw/zinc/25/30/85/278253085.db2.gz JRYVPGSITXRJGV-ZDUSSCGKSA-N 0 3 286.379 2.554 20 30 CFEDHN C[C@H]1CC(C)(C)CN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000412050518 278324360 /nfs/dbraw/zinc/32/43/60/278324360.db2.gz YOXOACGNDLPDKR-XJKSGUPXSA-N 0 3 297.402 2.784 20 30 CFEDHN CC1(O)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000335636419 278472966 /nfs/dbraw/zinc/47/29/66/278472966.db2.gz JIGKLIBGKZNRGQ-UHFFFAOYSA-N 0 3 250.386 2.697 20 30 CFEDHN C[C@]1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCC[C@H]1O ZINC000329811887 278559583 /nfs/dbraw/zinc/55/95/83/278559583.db2.gz CVTCCSSWMRPMOY-HLLBOEOZSA-N 0 3 294.439 2.759 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1snc(Cl)c1C#N ZINC000286211846 278970584 /nfs/dbraw/zinc/97/05/84/278970584.db2.gz CKAMJBWJSAOGRA-ZJUUUORDSA-N 0 3 296.827 2.731 20 30 CFEDHN CC[C@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000423488337 288091686 /nfs/dbraw/zinc/09/16/86/288091686.db2.gz VHSSTGIATGTEGK-KBPBESRZSA-N 0 3 279.334 2.596 20 30 CFEDHN CCN(CCC1CC1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000355067268 279177120 /nfs/dbraw/zinc/17/71/20/279177120.db2.gz UTIOKBJYHAAXCE-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN CCN(C[C@@H](C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355683807 279215347 /nfs/dbraw/zinc/21/53/47/279215347.db2.gz UEPLXGXYQHBGMA-DOTOQJQBSA-N 0 3 271.408 2.742 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1CC(C)(C)C ZINC000352375241 279224177 /nfs/dbraw/zinc/22/41/77/279224177.db2.gz TZVNSAFVYUEWSO-CABCVRRESA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)cc2C(F)(F)F)CCOC1 ZINC000356101365 280167963 /nfs/dbraw/zinc/16/79/63/280167963.db2.gz QXYBATWCFBQAJF-ZDUSSCGKSA-N 0 3 284.281 2.846 20 30 CFEDHN CC[C@@H](N[C@H]1CCN(C(C)C)C1=O)c1ccc(C#N)cc1 ZINC000278786376 280197696 /nfs/dbraw/zinc/19/76/96/280197696.db2.gz QDKGKBLNSQSMFA-CVEARBPZSA-N 0 3 285.391 2.608 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000058453113 280456319 /nfs/dbraw/zinc/45/63/19/280456319.db2.gz KBLFISMFYZKIFC-UHFFFAOYSA-N 0 3 298.390 2.615 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)C[C@H]1C(=O)OC(C)(C)C ZINC000332394102 288254582 /nfs/dbraw/zinc/25/45/82/288254582.db2.gz SFJIRJHBBDPQJU-ZOBORPQBSA-N 0 3 278.396 2.588 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)Nc1cnc(C#N)cn1)N(C)C ZINC000343801837 281389665 /nfs/dbraw/zinc/38/96/65/281389665.db2.gz DOZNNFVYEZXABP-GUYCJALGSA-N 0 3 295.390 2.760 20 30 CFEDHN N#Cc1ccc(N2CCC[C@H](N3C4CCC3CC4)C2=O)cc1 ZINC000538703436 281557220 /nfs/dbraw/zinc/55/72/20/281557220.db2.gz RXEOEMHPCZYKOQ-JCYILVPMSA-N 0 3 295.386 2.680 20 30 CFEDHN CC(C)(CNCc1cnc2ccc(C#N)cn12)C(F)(F)F ZINC000548973055 281809119 /nfs/dbraw/zinc/80/91/19/281809119.db2.gz XKBJVTWKCNUAJU-UHFFFAOYSA-N 0 3 296.296 2.884 20 30 CFEDHN CN(C)CCN(Cc1ccncc1)Cc1ccc(C#N)cc1 ZINC000289145526 289150403 /nfs/dbraw/zinc/15/04/03/289150403.db2.gz APXMCGQSGKJPBM-UHFFFAOYSA-N 0 3 294.402 2.517 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000335893307 289236329 /nfs/dbraw/zinc/23/63/29/289236329.db2.gz VSWJZKDVRWHCSC-BXKDBHETSA-N 0 3 278.739 2.830 20 30 CFEDHN C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000181999195 290038288 /nfs/dbraw/zinc/03/82/88/290038288.db2.gz SGSNTXOOEQEKKQ-WFASDCNBSA-N 0 3 285.391 2.608 20 30 CFEDHN CN1CC[C@@H]2[C@H](CCCN2c2c(F)cc(C#N)cc2F)C1 ZINC000277043046 290181152 /nfs/dbraw/zinc/18/11/52/290181152.db2.gz PLRFWAQWZUHJBE-IUODEOHRSA-N 0 3 291.345 2.757 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1cccc(C#N)c1 ZINC000564843749 290239266 /nfs/dbraw/zinc/23/92/66/290239266.db2.gz FRSNEKRNYVAACV-KBXCAEBGSA-N 0 3 280.371 2.812 20 30 CFEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)C1=CCCC1 ZINC000567167293 290444034 /nfs/dbraw/zinc/44/40/34/290444034.db2.gz MGRYYBYUPHOWJP-UHFFFAOYSA-N 0 3 295.390 2.827 20 30 CFEDHN COC[C@H](NC1(c2cccc(C#N)c2)CC1)C(C)C ZINC000272152934 293145687 /nfs/dbraw/zinc/14/56/87/293145687.db2.gz ATLDWDLQYLCCCR-HNNXBMFYSA-N 0 3 258.365 2.808 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085456354 782057260 /nfs/dbraw/zinc/05/72/60/782057260.db2.gz IBRWTNOTMIQPLV-OAHLLOKOSA-N 0 3 276.355 2.548 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001085460182 782063392 /nfs/dbraw/zinc/06/33/92/782063392.db2.gz AGLWSJGEZFRJCT-OAHLLOKOSA-N 0 3 272.392 2.717 20 30 CFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C1(C#N)CCCCC1 ZINC000335490883 298268200 /nfs/dbraw/zinc/26/82/00/298268200.db2.gz ZIGRDBRIQDVFBX-CQSZACIVSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC1(C)C)C(C)C ZINC000338272982 327974169 /nfs/dbraw/zinc/97/41/69/327974169.db2.gz VRMPXXLSPAFNAT-CABCVRRESA-N 0 3 293.455 2.783 20 30 CFEDHN CC#CCN1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000339660521 328012566 /nfs/dbraw/zinc/01/25/66/328012566.db2.gz XTMGSDPWTJZPCZ-HNNXBMFYSA-N 0 3 267.376 2.832 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1-n1ccnn1 ZINC000571395166 328118506 /nfs/dbraw/zinc/11/85/06/328118506.db2.gz HFRWDHGBJLTJDY-MELADBBJSA-N 0 3 281.363 2.610 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](C)C2)cc1 ZINC000261394107 328137540 /nfs/dbraw/zinc/13/75/40/328137540.db2.gz QXAQQMMMKTXOOT-CVEARBPZSA-N 0 3 299.418 2.972 20 30 CFEDHN CO[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1(C)C ZINC000451483170 328146942 /nfs/dbraw/zinc/14/69/42/328146942.db2.gz ASMVLMSBTPZLSI-GJZGRUSLSA-N 0 3 261.340 2.580 20 30 CFEDHN CCN(Cc1ccc(OCC#N)cc1)C[C@@H]1CCCO1 ZINC000264955364 328163448 /nfs/dbraw/zinc/16/34/48/328163448.db2.gz CXUQHIAINSWRQM-INIZCTEOSA-N 0 3 274.364 2.590 20 30 CFEDHN C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000267608673 328179643 /nfs/dbraw/zinc/17/96/43/328179643.db2.gz AURYLFHHQCILPY-GASCZTMLSA-N 0 3 285.391 2.521 20 30 CFEDHN C=C(C)CN(C)Cc1ccccc1N1CCN(CC)CC1 ZINC000353165334 328189652 /nfs/dbraw/zinc/18/96/52/328189652.db2.gz SWGJJVFVHKLJBC-UHFFFAOYSA-N 0 3 287.451 2.836 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(CC#N)cc1)N1CCC(C)CC1 ZINC000270256538 328192450 /nfs/dbraw/zinc/19/24/50/328192450.db2.gz GSTRIKXMTGEJFV-OAHLLOKOSA-N 0 3 299.418 2.603 20 30 CFEDHN COc1ccc2c(c1)OC[C@H](N[C@H]1CCC[C@@H](C#N)C1)C2 ZINC000274228525 328210023 /nfs/dbraw/zinc/21/00/23/328210023.db2.gz RZFJVIJVJHKZFB-VHDGCEQUSA-N 0 3 286.375 2.671 20 30 CFEDHN CN(CCOc1ccc(F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278604736 328228023 /nfs/dbraw/zinc/22/80/23/328228023.db2.gz MEJHWZDEYVOZIV-GXTWGEPZSA-N 0 3 262.328 2.829 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CCCN(C2CC2)CC1 ZINC000181116546 329226346 /nfs/dbraw/zinc/22/63/46/329226346.db2.gz OBAIHGHOOHQLFK-CQSZACIVSA-N 0 3 279.428 2.611 20 30 CFEDHN CC(C)(C)OC(=O)C1CCN(CCCCC#N)CC1 ZINC000340186327 328245115 /nfs/dbraw/zinc/24/51/15/328245115.db2.gz RYTXRLSVVHVDKU-UHFFFAOYSA-N 0 3 266.385 2.734 20 30 CFEDHN COc1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc(OC)c1 ZINC000292942027 328274197 /nfs/dbraw/zinc/27/41/97/328274197.db2.gz BADJVCODOKNODM-GXTWGEPZSA-N 0 3 274.364 2.828 20 30 CFEDHN Cc1cc([C@@H](C)NCCOCCC#N)ccc1F ZINC000294588050 328281836 /nfs/dbraw/zinc/28/18/36/328281836.db2.gz MWYKYKJRPZPKFB-GFCCVEGCSA-N 0 3 250.317 2.715 20 30 CFEDHN COc1c(C)cnc(CN(C)CCCSCC#N)c1C ZINC000295203230 328285345 /nfs/dbraw/zinc/28/53/45/328285345.db2.gz SVAJMXWAMVOIFJ-UHFFFAOYSA-N 0 3 293.436 2.786 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)cc1F)C(=O)OC ZINC000159658873 322326422 /nfs/dbraw/zinc/32/64/22/322326422.db2.gz RAJMBSQXVZRYMU-UHFFFAOYSA-N 0 3 292.354 2.766 20 30 CFEDHN N#Cc1cncc(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000571547255 322587595 /nfs/dbraw/zinc/58/75/95/322587595.db2.gz PMXSEYOWYHVSSM-INIZCTEOSA-N 0 3 293.374 2.597 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)Cc1cnccn1 ZINC000341711644 328415177 /nfs/dbraw/zinc/41/51/77/328415177.db2.gz PETIHQZTBYUFRP-CQSZACIVSA-N 0 3 283.375 2.762 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccccc2[N+](=O)[O-])cc1 ZINC000174561528 323651203 /nfs/dbraw/zinc/65/12/03/323651203.db2.gz HHOXMMFJTQOJBP-UHFFFAOYSA-N 0 3 297.314 2.635 20 30 CFEDHN COCC1(C#N)CCN(CCCc2ccc(C)nc2)CC1 ZINC000342833946 328421028 /nfs/dbraw/zinc/42/10/28/328421028.db2.gz CTKVNHCSOUGZMJ-UHFFFAOYSA-N 0 3 287.407 2.575 20 30 CFEDHN COCCN1CCC(NC(=O)c2occc2C(C)C)CC1 ZINC000330469333 328461934 /nfs/dbraw/zinc/46/19/34/328461934.db2.gz LKFQCURTLAVCRU-UHFFFAOYSA-N 0 3 294.395 2.818 20 30 CFEDHN CO[C@H]([C@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000388272474 324502555 /nfs/dbraw/zinc/50/25/55/324502555.db2.gz HCXXKIUKRUWWFO-ZUZCIYMTSA-N 0 3 262.328 2.600 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C#N)s1 ZINC000580572870 325048425 /nfs/dbraw/zinc/04/84/25/325048425.db2.gz CPIFCUQAGMXZSG-GXFFZTMASA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C)N(Cc1cnc2c(C#N)cnn2c1)C1CC(C)(C)C1 ZINC000583753123 325308382 /nfs/dbraw/zinc/30/83/82/325308382.db2.gz OPOSHXKNDYGLRL-UHFFFAOYSA-N 0 3 297.406 3.000 20 30 CFEDHN C=C1CCN(Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000584002121 326846371 /nfs/dbraw/zinc/84/63/71/326846371.db2.gz MVDLQRFRDLTDLN-UHFFFAOYSA-N 0 3 268.360 2.691 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CCCC[C@H]1O ZINC000077204438 326922899 /nfs/dbraw/zinc/92/28/99/326922899.db2.gz CVRFSOTXTXUTSF-GOEBONIOSA-N 0 3 275.392 2.892 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)CN1CC[C@@H](C)C1 ZINC000557565102 327013804 /nfs/dbraw/zinc/01/38/04/327013804.db2.gz UDKFNXFGQQAJMI-CQSZACIVSA-N 0 3 290.382 2.682 20 30 CFEDHN CCN(CCCSCC#N)Cc1ccc2c(c1)OCO2 ZINC000074981571 327122868 /nfs/dbraw/zinc/12/28/68/327122868.db2.gz GNWQWXSAWSCPJH-UHFFFAOYSA-N 0 3 292.404 2.884 20 30 CFEDHN COc1cccc(C[C@@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000566116612 327140477 /nfs/dbraw/zinc/14/04/77/327140477.db2.gz LWNKHAUIFIIHMN-HIFRSBDPSA-N 0 3 271.364 2.659 20 30 CFEDHN CC(C)(C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000559183104 327144893 /nfs/dbraw/zinc/14/48/93/327144893.db2.gz GPYHSXGLEZTUGC-UHFFFAOYSA-N 0 3 285.391 2.704 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2CCCC[C@@H]2C1 ZINC000426776449 327191215 /nfs/dbraw/zinc/19/12/15/327191215.db2.gz YOHLACXEMROSRX-KCYZZUKISA-N 0 3 291.439 2.551 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000181314221 327208494 /nfs/dbraw/zinc/20/84/94/327208494.db2.gz XSXQHWRIHWWUBB-INIZCTEOSA-N 0 3 277.408 2.859 20 30 CFEDHN C[C@H](C(=O)N1CCC(CCC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000573969116 327277085 /nfs/dbraw/zinc/27/70/85/327277085.db2.gz LNCVYNVCMHQKEC-RBSFLKMASA-N 0 3 291.439 2.790 20 30 CFEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@H](C)C2CC2)cc1 ZINC000566453560 327374054 /nfs/dbraw/zinc/37/40/54/327374054.db2.gz ZEAIEQPKLCWPMM-QWHCGFSZSA-N 0 3 286.375 2.982 20 30 CFEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@@H](C)C2CC2)cc1 ZINC000566453557 327374158 /nfs/dbraw/zinc/37/41/58/327374158.db2.gz ZEAIEQPKLCWPMM-OLZOCXBDSA-N 0 3 286.375 2.982 20 30 CFEDHN COC(=O)C[C@H](NC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000347954439 533709352 /nfs/dbraw/zinc/70/93/52/533709352.db2.gz HBBVFXDCFGTNIK-ZFWWWQNUSA-N 0 3 291.395 2.532 20 30 CFEDHN C=C(CN[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000353505798 328854808 /nfs/dbraw/zinc/85/48/08/328854808.db2.gz WERNJQKHOOOGJH-LBPRGKRZSA-N 0 3 255.321 2.546 20 30 CFEDHN C=CCCCCCCNC(=O)N1CCCN(CC)CC1 ZINC000377007349 329009084 /nfs/dbraw/zinc/00/90/84/329009084.db2.gz NRUGUFJXXUROMB-UHFFFAOYSA-N 0 3 281.444 2.860 20 30 CFEDHN C#Cc1ccc(CNCc2cccnc2-n2cccn2)cc1 ZINC000377549203 329018532 /nfs/dbraw/zinc/01/85/32/329018532.db2.gz KCOXQJJAHUJFCV-UHFFFAOYSA-N 0 3 288.354 2.538 20 30 CFEDHN CC#CCCN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377730481 329027610 /nfs/dbraw/zinc/02/76/10/329027610.db2.gz YKGVKQRZUBDMMZ-HUUCEWRRSA-N 0 3 292.423 2.589 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000378399256 329048860 /nfs/dbraw/zinc/04/88/60/329048860.db2.gz RDCFAUFOXFWANN-HKUYNNGSSA-N 0 3 298.430 2.914 20 30 CFEDHN CC(=O)Nc1cccc2c1CCN(CCCCC#N)C2 ZINC000171033687 329074273 /nfs/dbraw/zinc/07/42/73/329074273.db2.gz AJSDHZIZKZMKOQ-UHFFFAOYSA-N 0 3 271.364 2.697 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CCCCCC2)CC1 ZINC000171716645 329078946 /nfs/dbraw/zinc/07/89/46/329078946.db2.gz MVDWOMMPBVFVNV-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000171721690 329079194 /nfs/dbraw/zinc/07/91/94/329079194.db2.gz GYOZKDYAOYSYKC-ZNMIVQPWSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000172174974 329082004 /nfs/dbraw/zinc/08/20/04/329082004.db2.gz NHSVATLJDLHWNX-UHFFFAOYSA-N 0 3 272.392 2.801 20 30 CFEDHN C=C(C)CCNCc1ccc(Br)cn1 ZINC000386867895 329122112 /nfs/dbraw/zinc/12/21/12/329122112.db2.gz KHPDWUDQFOXMSV-UHFFFAOYSA-N 0 3 255.159 2.900 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000172390366 329135319 /nfs/dbraw/zinc/13/53/19/329135319.db2.gz ARPMGNVZZIENRE-ZIAGYGMSSA-N 0 3 293.455 2.761 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000173702957 329150841 /nfs/dbraw/zinc/15/08/41/329150841.db2.gz YAKYNGOUGFJFEV-UXLLHSPISA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)C1CC1)C(C)C ZINC000175332406 329164916 /nfs/dbraw/zinc/16/49/16/329164916.db2.gz QQWLMOALBLFHHX-ZBFHGGJFSA-N 0 3 278.440 2.847 20 30 CFEDHN C=CCCCC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000175457343 329168526 /nfs/dbraw/zinc/16/85/26/329168526.db2.gz NQAKZFCHMQXTTB-AWEZNQCLSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)C2(C)CC2)CC1 ZINC000176499270 329175276 /nfs/dbraw/zinc/17/52/76/329175276.db2.gz BMLKWNYSRPJTDZ-CQSZACIVSA-N 0 3 293.455 2.857 20 30 CFEDHN CCN(CC)C(=O)CCC1CCN(CCCC#N)CC1 ZINC000182559309 329242874 /nfs/dbraw/zinc/24/28/74/329242874.db2.gz UOCWVVFXCIMNLH-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN N#CCSCCCN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183354103 329247479 /nfs/dbraw/zinc/24/74/79/329247479.db2.gz PCUUAEGAUGGTAD-OAHLLOKOSA-N 0 3 294.395 2.926 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCc2ccccc2C1 ZINC000583043122 329303297 /nfs/dbraw/zinc/30/32/97/329303297.db2.gz BSTOVGXCWWISAD-CJNGLKHVSA-N 0 3 253.349 2.577 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C)[C@H]1CC ZINC000185646123 329328261 /nfs/dbraw/zinc/32/82/61/329328261.db2.gz VEYWVEVXMYOPLN-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)CCN(C)C1CC1 ZINC000186786006 329348721 /nfs/dbraw/zinc/34/87/21/329348721.db2.gz JBVHVJDTNDICOZ-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN COc1ccccc1NC1CCN(CCCC#N)CC1 ZINC000085905716 329393133 /nfs/dbraw/zinc/39/31/33/329393133.db2.gz AAYWTDDLLCGCIV-UHFFFAOYSA-N 0 3 273.380 2.875 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1cnccn1 ZINC000583250651 329399453 /nfs/dbraw/zinc/39/94/53/329399453.db2.gz YIJFBMAEILWFHI-OAHLLOKOSA-N 0 3 253.349 2.754 20 30 CFEDHN N#CCc1ccc(CN[C@@H]2COc3ccccc3C2)cc1 ZINC000399177081 329449149 /nfs/dbraw/zinc/44/91/49/329449149.db2.gz KBXGNSMVMMJOFG-KRWDZBQOSA-N 0 3 278.355 2.846 20 30 CFEDHN C=CCOCCCN1CCC(OC)(C(F)(F)F)CC1 ZINC000419359093 329720127 /nfs/dbraw/zinc/72/01/27/329720127.db2.gz VTLPYDCBIIHEIJ-UHFFFAOYSA-N 0 3 281.318 2.622 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)c1ccccc1Br ZINC000272456100 330086106 /nfs/dbraw/zinc/08/61/06/330086106.db2.gz CUJGMSKWXAUFMZ-ZDUSSCGKSA-N 0 3 284.197 2.990 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)Cc1ccc(F)cc1Cl ZINC000421863546 330098539 /nfs/dbraw/zinc/09/85/39/330098539.db2.gz YRUOIFPGMGVCTQ-JOYOIKCWSA-N 0 3 257.736 2.547 20 30 CFEDHN C=CCC[C@H](NCC1(CC(N)=O)CC1)c1ccco1 ZINC000421884657 330102872 /nfs/dbraw/zinc/10/28/72/330102872.db2.gz QWTYJPAXLRLJOK-LBPRGKRZSA-N 0 3 262.353 2.532 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000580435279 330133415 /nfs/dbraw/zinc/13/34/15/330133415.db2.gz RNCBKUAYMDMJNZ-ROUUACIJSA-N 0 3 296.418 2.684 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1CCCC1 ZINC000433130098 330149892 /nfs/dbraw/zinc/14/98/92/330149892.db2.gz QPFUAGQEVXYRKM-AWEZNQCLSA-N 0 3 256.349 2.818 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423181335 330175489 /nfs/dbraw/zinc/17/54/89/330175489.db2.gz OVTUSZBEGNFRNS-OAHLLOKOSA-N 0 3 264.413 2.709 20 30 CFEDHN C=CCC[C@H](CC)Nc1ccc(N2CCNCC2)cn1 ZINC000423224819 330180044 /nfs/dbraw/zinc/18/00/44/330180044.db2.gz CTWRYVOWDFNQGP-AWEZNQCLSA-N 0 3 274.412 2.648 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@H]2NCCc3ccccc32)C1 ZINC000423415634 330197622 /nfs/dbraw/zinc/19/76/22/330197622.db2.gz DYSNKXBGYJEIJV-UKPHBRMFSA-N 0 3 269.392 2.545 20 30 CFEDHN CC(C)(C)c1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424054884 330218354 /nfs/dbraw/zinc/21/83/54/330218354.db2.gz CCMACUVPYUWHCF-ZDUSSCGKSA-N 0 3 273.380 2.944 20 30 CFEDHN CCC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424060684 330218703 /nfs/dbraw/zinc/21/87/03/330218703.db2.gz DBCQUCYEGWNPMW-GJZGRUSLSA-N 0 3 273.380 2.665 20 30 CFEDHN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424069060 330219844 /nfs/dbraw/zinc/21/98/44/330219844.db2.gz OLGDUUFXEYLHPW-HZMBPMFUSA-N 0 3 295.333 2.505 20 30 CFEDHN Cc1c(NC(=O)[C@H](N)CCCC#N)cccc1C(F)(F)F ZINC000424079976 330221767 /nfs/dbraw/zinc/22/17/67/330221767.db2.gz HDRWCHOTQVSKQS-LLVKDONJSA-N 0 3 299.296 2.974 20 30 CFEDHN Cc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424086052 330223617 /nfs/dbraw/zinc/22/36/17/330223617.db2.gz ZXPRFYIKWZXQCB-NSHDSACASA-N 0 3 265.744 2.608 20 30 CFEDHN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424086757 330223794 /nfs/dbraw/zinc/22/37/94/330223794.db2.gz QKOJBCGKZIEOMH-NSHDSACASA-N 0 3 299.296 2.974 20 30 CFEDHN CCCN(Cc1ccc(F)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424082013 330223852 /nfs/dbraw/zinc/22/38/52/330223852.db2.gz BCOONJQQQUXJCV-HNNXBMFYSA-N 0 3 291.370 2.585 20 30 CFEDHN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](N)CCCC#N ZINC000424086755 330223867 /nfs/dbraw/zinc/22/38/67/330223867.db2.gz QKOJBCGKZIEOMH-LLVKDONJSA-N 0 3 299.296 2.974 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000424089312 330224438 /nfs/dbraw/zinc/22/44/38/330224438.db2.gz KTGZOXSPOULWDQ-IAGOWNOFSA-N 0 3 299.418 2.631 20 30 CFEDHN CC(C)(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424090784 330225453 /nfs/dbraw/zinc/22/54/53/330225453.db2.gz MYHARISQQLSPKS-GJZGRUSLSA-N 0 3 287.407 2.911 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000424104330 330233846 /nfs/dbraw/zinc/23/38/46/330233846.db2.gz SQOUBFIGJKHOQA-SJORKVTESA-N 0 3 297.402 2.686 20 30 CFEDHN CCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1Cl ZINC000424104181 330233973 /nfs/dbraw/zinc/23/39/73/330233973.db2.gz TYXQDDRUVWZRCQ-GFCCVEGCSA-N 0 3 295.770 2.698 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424105229 330234198 /nfs/dbraw/zinc/23/41/98/330234198.db2.gz QGQROWUFNIMQNL-KBUPBQIOSA-N 0 3 279.428 2.585 20 30 CFEDHN CC(C)c1cccc(N(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424108650 330234872 /nfs/dbraw/zinc/23/48/72/330234872.db2.gz RTJBWDSOOJWKCA-HNNXBMFYSA-N 0 3 273.380 2.794 20 30 CFEDHN CC(C)(C)Oc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424107675 330234897 /nfs/dbraw/zinc/23/48/97/330234897.db2.gz OMOOMVVDLDAUMY-AWEZNQCLSA-N 0 3 289.379 2.824 20 30 CFEDHN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424117424 330243639 /nfs/dbraw/zinc/24/36/39/330243639.db2.gz YRIGEZWTIUPNSO-SOUVJXGZSA-N 0 3 279.428 2.729 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424120130 330247912 /nfs/dbraw/zinc/24/79/12/330247912.db2.gz DNHUGJCNIJHOJO-NXEZZACHSA-N 0 3 299.827 2.990 20 30 CFEDHN CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424119965 330247976 /nfs/dbraw/zinc/24/79/76/330247976.db2.gz DJDJJMGQPUFDIV-HOTGVXAUSA-N 0 3 287.407 2.863 20 30 CFEDHN Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424125135 330258027 /nfs/dbraw/zinc/25/80/27/330258027.db2.gz NGRTYTRDVZLNTQ-HOCLYGCPSA-N 0 3 287.407 2.844 20 30 CFEDHN C[C@@H]([C@H](C)NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424129444 330260253 /nfs/dbraw/zinc/26/02/53/330260253.db2.gz SXWSVGYKOGWSOS-KCQAQPDRSA-N 0 3 279.428 2.729 20 30 CFEDHN Cc1cccc([C@@H](C)NC(=O)[C@H](N)CCCC#N)c1C ZINC000424131500 330262672 /nfs/dbraw/zinc/26/26/72/330262672.db2.gz VGIUZULNRXVWLG-UKRRQHHQSA-N 0 3 273.380 2.502 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1c(F)cccc1Cl ZINC000424149578 330295807 /nfs/dbraw/zinc/29/58/07/330295807.db2.gz HGTXMVOPWJHYCR-SKDRFNHKSA-N 0 3 297.761 2.677 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(F)ccc1OC ZINC000424176445 330316545 /nfs/dbraw/zinc/31/65/45/330316545.db2.gz XTVHFLMLZDSYSP-FZMZJTMJSA-N 0 3 265.328 2.515 20 30 CFEDHN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@@H](N)CCCC#N)C2)c1 ZINC000424192823 330323946 /nfs/dbraw/zinc/32/39/46/330323946.db2.gz STJPGYHBPWUCFI-RDJZCZTQSA-N 0 3 299.418 2.641 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)Cc1ccsc1 ZINC000424193732 330324401 /nfs/dbraw/zinc/32/44/01/330324401.db2.gz VBHLIATXMHAMAU-TZMCWYRMSA-N 0 3 293.436 2.549 20 30 CFEDHN C=CCC1(C(=O)Nc2cc(C)cc(CN)c2)CCOCC1 ZINC000424248473 330332024 /nfs/dbraw/zinc/33/20/24/330332024.db2.gz UUUFHLSGPCFDBJ-UHFFFAOYSA-N 0 3 288.391 2.765 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1Cl ZINC000424280918 330333962 /nfs/dbraw/zinc/33/39/62/330333962.db2.gz MOMYTDKNNCTNCF-QWRGUYRKSA-N 0 3 269.772 2.936 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](C)C[C@@H]2CC)nn1 ZINC000424290938 330334759 /nfs/dbraw/zinc/33/47/59/330334759.db2.gz CQWLHMITGQOOLN-VNHYZAJKSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](Cc2ccccc2C)C2CC2)nn1 ZINC000424290778 330334814 /nfs/dbraw/zinc/33/48/14/330334814.db2.gz CGMPYXHQAJPPJK-SFHVURJKSA-N 0 3 296.418 2.883 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)C2CCCCC2)nn1 ZINC000424293313 330335323 /nfs/dbraw/zinc/33/53/23/330335323.db2.gz IHTIFSRMLNYKRT-OAHLLOKOSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)[C@@H](C)CCC)nn1 ZINC000424296390 330336084 /nfs/dbraw/zinc/33/60/84/330336084.db2.gz OILSDJHUKLLIRT-GXTWGEPZSA-N 0 3 250.390 2.769 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(Cl)cn1 ZINC000424296512 330336136 /nfs/dbraw/zinc/33/61/36/330336136.db2.gz OVGAJTVDZHRKSO-SUNKGSAMSA-N 0 3 266.772 2.977 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1nc2ccccc2n1C ZINC000424297019 330336241 /nfs/dbraw/zinc/33/62/41/330336241.db2.gz POTWTQCMMSSICW-WWGRRREGSA-N 0 3 285.391 2.815 20 30 CFEDHN C=CCn1cc(CN[C@@H](C2CC2)C2CCCC2)nn1 ZINC000424301020 330337809 /nfs/dbraw/zinc/33/78/09/330337809.db2.gz ZBWIYLZQQNPDAN-OAHLLOKOSA-N 0 3 260.385 2.523 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc([S@@](C)=O)cc1 ZINC000424330859 330342245 /nfs/dbraw/zinc/34/22/45/330342245.db2.gz RHWUVECZVCOEAH-NMRSOGARSA-N 0 3 276.405 2.767 20 30 CFEDHN CC(=O)NCCc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424337693 330343679 /nfs/dbraw/zinc/34/36/79/330343679.db2.gz ZUDQXTYPZIQOHU-QANKJYHBSA-N 0 3 299.418 2.708 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000107531571 330349815 /nfs/dbraw/zinc/34/98/15/330349815.db2.gz XRUHKZXGTOIEFU-KRWDZBQOSA-N 0 3 288.435 2.753 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000429832406 330555632 /nfs/dbraw/zinc/55/56/32/330555632.db2.gz RDVXERBHVMQIQV-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN COCc1cc(CN[C@H]2CC[C@@H](C#N)C2)ccc1F ZINC000442764174 330781390 /nfs/dbraw/zinc/78/13/90/330781390.db2.gz CFQZHKBELHYDSI-RISCZKNCSA-N 0 3 262.328 2.754 20 30 CFEDHN COCCNc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442790629 330783875 /nfs/dbraw/zinc/78/38/75/330783875.db2.gz LXWKPMTVKNQNTN-GOEBONIOSA-N 0 3 273.380 2.527 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCCOc2cccc(C(F)(F)F)n2)C1 ZINC000442819776 330785470 /nfs/dbraw/zinc/78/54/70/330785470.db2.gz QVXQCZKWOQBTGF-MNOVXSKESA-N 0 3 299.296 2.761 20 30 CFEDHN Cc1c(CN[C@H]2CC[C@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000442857231 330787508 /nfs/dbraw/zinc/78/75/08/330787508.db2.gz PLGSLWBYYLHXQG-AAEUAGOBSA-N 0 3 259.309 2.685 20 30 CFEDHN CN(C)C(=O)C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000447539119 330868958 /nfs/dbraw/zinc/86/89/58/330868958.db2.gz FROPLDARJDJIEP-PVAVHDDUSA-N 0 3 299.418 2.878 20 30 CFEDHN C=CCCCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000447969303 330881812 /nfs/dbraw/zinc/88/18/12/330881812.db2.gz VVKGKERARDWHCI-UHFFFAOYSA-N 0 3 267.417 2.516 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000448919616 330888334 /nfs/dbraw/zinc/88/83/34/330888334.db2.gz BVNXQEZMBOJZSN-RHSMWYFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](C)NC1CC1 ZINC000449125415 330900573 /nfs/dbraw/zinc/90/05/73/330900573.db2.gz SIDKBRLDRJVQJR-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCOc1ccc(CNCC2=CCOCC2)cc1OC ZINC000449403659 330922899 /nfs/dbraw/zinc/92/28/99/330922899.db2.gz QSAUYNSFNJJCCX-UHFFFAOYSA-N 0 3 289.375 2.696 20 30 CFEDHN CCOc1cccc(CN[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000449445408 330926031 /nfs/dbraw/zinc/92/60/31/330926031.db2.gz JFJBAQPCDWTVAL-STQMWFEESA-N 0 3 259.353 2.652 20 30 CFEDHN C=CC(C)(C)CNCc1cc(C(=O)OC)c(CC)o1 ZINC000449485254 330929851 /nfs/dbraw/zinc/92/98/51/330929851.db2.gz LPUUGMKZQFZZFR-UHFFFAOYSA-N 0 3 265.353 2.930 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(C)C)c(OC)c1 ZINC000449522214 330933620 /nfs/dbraw/zinc/93/36/20/330933620.db2.gz UTRNRRQODNOEPY-CABCVRRESA-N 0 3 291.391 2.916 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccnn1C1CCCC1 ZINC000449547272 330935456 /nfs/dbraw/zinc/93/54/56/330935456.db2.gz HIWZMTGVLDHPJD-CVEARBPZSA-N 0 3 275.396 2.821 20 30 CFEDHN C=CCCCCCN[C@](C)(CO)c1cccc(O)c1 ZINC000451045756 331013340 /nfs/dbraw/zinc/01/33/40/331013340.db2.gz YOEHUDQQSDFHBE-MRXNPFEDSA-N 0 3 263.381 2.936 20 30 CFEDHN C=C(CC)CN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451204938 331020418 /nfs/dbraw/zinc/02/04/18/331020418.db2.gz ADXNAEPGBQYYPS-UHFFFAOYSA-N 0 3 258.365 2.716 20 30 CFEDHN CC1(C)OCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000451242185 331021726 /nfs/dbraw/zinc/02/17/26/331021726.db2.gz LTBGXZPOFBGIBM-AWEZNQCLSA-N 0 3 263.768 2.849 20 30 CFEDHN C[C@@H]1CN(CCCC#N)C2(CCCC2)CN1CCCC#N ZINC000451348581 331025227 /nfs/dbraw/zinc/02/52/27/331025227.db2.gz XXQAGCLGLRFYAH-MRXNPFEDSA-N 0 3 288.439 2.913 20 30 CFEDHN CCO[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC000451480922 331031078 /nfs/dbraw/zinc/03/10/78/331031078.db2.gz QGGIHJAFRCTZMH-DLBZAZTESA-N 0 3 269.388 2.975 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(C(C)C)c1 ZINC000451594733 331035393 /nfs/dbraw/zinc/03/53/93/331035393.db2.gz BYJXEBSTFJFWGB-CVEARBPZSA-N 0 3 288.391 2.682 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1CC ZINC000451596094 331035590 /nfs/dbraw/zinc/03/55/90/331035590.db2.gz FZFYCCWYYUAQGE-MAZHCROVSA-N 0 3 288.391 2.509 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000451605401 331036246 /nfs/dbraw/zinc/03/62/46/331036246.db2.gz KCZJREPOSFLNQB-GDLCADMTSA-N 0 3 294.782 2.600 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(OC(C)(C)C)n1 ZINC000451609818 331036800 /nfs/dbraw/zinc/03/68/00/331036800.db2.gz RBCMDMBXKATCFK-KGLIPLIRSA-N 0 3 276.380 2.692 20 30 CFEDHN N#CCSCCCN1CCOCC12CCCCC2 ZINC000451816585 331043706 /nfs/dbraw/zinc/04/37/06/331043706.db2.gz PAPWTOMCTRTHAH-UHFFFAOYSA-N 0 3 268.426 2.668 20 30 CFEDHN C=C(CC)CN1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000452007043 331050236 /nfs/dbraw/zinc/05/02/36/331050236.db2.gz PPCKQFQTBXRTDX-JKSUJKDBSA-N 0 3 273.376 2.841 20 30 CFEDHN C[C@H]1CCC(C)(C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000452016447 331050517 /nfs/dbraw/zinc/05/05/17/331050517.db2.gz WOVLPXFPQDXXJA-AWEZNQCLSA-N 0 3 291.439 2.934 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](CC(C)(C)C)C1 ZINC000452067916 331052724 /nfs/dbraw/zinc/05/27/24/331052724.db2.gz AYGPYCFSIULSBM-UONOGXRCSA-N 0 3 279.428 2.505 20 30 CFEDHN Cc1cccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000452068128 331052765 /nfs/dbraw/zinc/05/27/65/331052765.db2.gz BCOKVKSWKADNEA-RHSMWYFYSA-N 0 3 287.407 2.700 20 30 CFEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)C1CC(C)(C)C1 ZINC000452104987 331054325 /nfs/dbraw/zinc/05/43/25/331054325.db2.gz NAKHUUYEZFGJTJ-QGZVFWFLSA-N 0 3 291.439 2.694 20 30 CFEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC(C)(C)C1 ZINC000452104934 331054384 /nfs/dbraw/zinc/05/43/84/331054384.db2.gz NAKHUUYEZFGJTJ-KRWDZBQOSA-N 0 3 291.439 2.694 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452178415 331057276 /nfs/dbraw/zinc/05/72/76/331057276.db2.gz ZHICNBBIILTFNE-ZDUSSCGKSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000452516120 331067216 /nfs/dbraw/zinc/06/72/16/331067216.db2.gz WBCSSCXDFPQDEX-UTLUCORTSA-N 0 3 262.275 2.773 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000452562669 331069221 /nfs/dbraw/zinc/06/92/21/331069221.db2.gz QDPVYVPHIWRTFH-BBRMVZONSA-N 0 3 285.391 2.560 20 30 CFEDHN CC(F)(F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000452592929 331069834 /nfs/dbraw/zinc/06/98/34/331069834.db2.gz LXJSGGPHOAGTBR-ZDUSSCGKSA-N 0 3 280.318 2.920 20 30 CFEDHN C=CCC[C@H](C(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000452979513 331082601 /nfs/dbraw/zinc/08/26/01/331082601.db2.gz TZOHMIHYZHYYEO-SQNIBIBYSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CC[C@H](C)N[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453149386 331094346 /nfs/dbraw/zinc/09/43/46/331094346.db2.gz SNVZDRFTGWJMGB-IINYFYTJSA-N 0 3 260.316 2.587 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@H](C)c2ccsc21 ZINC000453178595 331097651 /nfs/dbraw/zinc/09/76/51/331097651.db2.gz HTNMLSPLULUHIN-CMPLNLGQSA-N 0 3 264.394 2.578 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(OC)ccc1OC ZINC000453351259 331120700 /nfs/dbraw/zinc/12/07/00/331120700.db2.gz JHVQADXKXYSTCN-GLQYFDAESA-N 0 3 277.364 2.698 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(Cl)cn1 ZINC000453356632 331121710 /nfs/dbraw/zinc/12/17/10/331121710.db2.gz LZIKCZRQQANCBC-WQAKAFBOSA-N 0 3 252.745 2.729 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1sc(CCOC)nc1C ZINC000453371479 331124168 /nfs/dbraw/zinc/12/41/68/331124168.db2.gz URMCKUFBTOYVHN-UHTWSYAYSA-N 0 3 296.436 2.635 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccncc1F ZINC000453373655 331124382 /nfs/dbraw/zinc/12/43/82/331124382.db2.gz WKIVECIIYWJGDM-GDLCADMTSA-N 0 3 250.317 2.605 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cnn(C(C)C)c1C ZINC000453378424 331125355 /nfs/dbraw/zinc/12/53/55/331125355.db2.gz YFBPWOKUHBNOIE-JSGCOSHPSA-N 0 3 265.401 2.750 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000453380947 331125660 /nfs/dbraw/zinc/12/56/60/331125660.db2.gz ZUKUVCXYWLMGTO-HIFRSBDPSA-N 0 3 277.412 2.976 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000454256190 331143050 /nfs/dbraw/zinc/14/30/50/331143050.db2.gz IWVYWUKYYHLHJB-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(CC)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000454353124 331144785 /nfs/dbraw/zinc/14/47/85/331144785.db2.gz XFYQMWOEWYDBQO-UHFFFAOYSA-N 0 3 261.369 2.836 20 30 CFEDHN C=C(C)CCNC(=O)NCCN1CCCC[C@H]1CC ZINC000454485421 331147166 /nfs/dbraw/zinc/14/71/66/331147166.db2.gz BGTODZZDARLOJK-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN C=C(C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000454771123 331153119 /nfs/dbraw/zinc/15/31/19/331153119.db2.gz UVDQKIINNBANFY-OAHLLOKOSA-N 0 3 289.423 2.772 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000455195851 331162539 /nfs/dbraw/zinc/16/25/39/331162539.db2.gz PYTQBJWETUAVCT-HNNXBMFYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(CC)CNC(=O)Nc1ccccc1CCN(C)C ZINC000455228959 331162937 /nfs/dbraw/zinc/16/29/37/331162937.db2.gz OBEPVGOBIQBSLK-UHFFFAOYSA-N 0 3 275.396 2.878 20 30 CFEDHN CC[C@@H](C(=O)Nc1cccc(CC#N)c1)N(CC)CC ZINC000456738070 331199545 /nfs/dbraw/zinc/19/95/45/331199545.db2.gz UCQXKEVGQJALQP-HNNXBMFYSA-N 0 3 273.380 2.812 20 30 CFEDHN C=CC[C@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164345236 331209233 /nfs/dbraw/zinc/20/92/33/331209233.db2.gz SGGLLDYMYWFXIZ-GXFFZTMASA-N 0 3 283.368 2.598 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCCC1(C)C ZINC000457045265 331210830 /nfs/dbraw/zinc/21/08/30/331210830.db2.gz AJAKEZWWQHAZLK-UHFFFAOYSA-N 0 3 264.413 2.745 20 30 CFEDHN CC(C#N)C(=O)N[C@@](C)(Cc1ccccc1)C1CC1 ZINC000457044268 331210869 /nfs/dbraw/zinc/21/08/69/331210869.db2.gz MZZBZAPVTMWIBJ-WBMJQRKESA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1CCCC1(C)C ZINC000457066366 331211224 /nfs/dbraw/zinc/21/12/24/331211224.db2.gz YWWZVEMNYFADSS-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000457528252 331225949 /nfs/dbraw/zinc/22/59/49/331225949.db2.gz LQYVGNPKJSGORW-HNNXBMFYSA-N 0 3 275.396 2.555 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC000457544245 331226429 /nfs/dbraw/zinc/22/64/29/331226429.db2.gz PHMTWFCMMOCZNQ-NSHDSACASA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cnc3ccccc3c2)CC1 ZINC000457547143 331226568 /nfs/dbraw/zinc/22/65/68/331226568.db2.gz VGBDGEHOGZFBOB-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN Cc1cc(NC(=O)CCCC#N)ccc1OCCN(C)C ZINC000458196407 331244861 /nfs/dbraw/zinc/24/48/61/331244861.db2.gz GSQUUKPAWIVCOE-UHFFFAOYSA-N 0 3 289.379 2.568 20 30 CFEDHN Cc1cc(NC(=O)[C@@]2(C#N)C[C@H]2C)ccc1CN(C)C ZINC000458275106 331247073 /nfs/dbraw/zinc/24/70/73/331247073.db2.gz YIIZTWIZKZKQJP-MLGOLLRUSA-N 0 3 271.364 2.545 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458630352 331254825 /nfs/dbraw/zinc/25/48/25/331254825.db2.gz ZRBVPKWHSJVPRG-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000458811965 331260880 /nfs/dbraw/zinc/26/08/80/331260880.db2.gz PLJNBMRGKVUMDX-AWEZNQCLSA-N 0 3 281.444 2.572 20 30 CFEDHN C=CCN(C(=O)N[C@@H](CC(C)C)CN1CCCC1)C1CC1 ZINC000458904138 331262685 /nfs/dbraw/zinc/26/26/85/331262685.db2.gz BNWBQLLDVJIRPG-HNNXBMFYSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459409427 331280200 /nfs/dbraw/zinc/28/02/00/331280200.db2.gz YDBSVKXBAGCBSN-UHFFFAOYSA-N 0 3 299.374 2.883 20 30 CFEDHN C=CCC[N@H+](C)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459441392 331281592 /nfs/dbraw/zinc/28/15/92/331281592.db2.gz VSLWTQFINSWTPU-UHFFFAOYSA-N 0 3 269.348 2.857 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459679876 331293980 /nfs/dbraw/zinc/29/39/80/331293980.db2.gz QATUGGUJOGBQBE-MNOVXSKESA-N 0 3 250.390 2.793 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459679876 331293981 /nfs/dbraw/zinc/29/39/81/331293981.db2.gz QATUGGUJOGBQBE-MNOVXSKESA-N 0 3 250.390 2.793 20 30 CFEDHN CC(C)(CC#N)CNCc1cnn(Cc2ccccc2)c1 ZINC000459702563 331295093 /nfs/dbraw/zinc/29/50/93/331295093.db2.gz VNYRLCGMQKYFOU-UHFFFAOYSA-N 0 3 282.391 2.961 20 30 CFEDHN COCCOc1cccc(CNCC(C)(C)CC#N)c1 ZINC000459704321 331295169 /nfs/dbraw/zinc/29/51/69/331295169.db2.gz XKAQFDSQEJDHIZ-UHFFFAOYSA-N 0 3 276.380 2.741 20 30 CFEDHN CCCn1nc(C)c(CNCC(C)(C)CC#N)c1C ZINC000459729438 331296213 /nfs/dbraw/zinc/29/62/13/331296213.db2.gz JSRTXZVHEJPJRT-UHFFFAOYSA-N 0 3 262.401 2.939 20 30 CFEDHN CC#CCCNCc1cnc(C)n1-c1ccccc1 ZINC000166301530 331307064 /nfs/dbraw/zinc/30/70/64/331307064.db2.gz UBXYDKFNVRWVQG-UHFFFAOYSA-N 0 3 253.349 2.684 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000488473885 332012423 /nfs/dbraw/zinc/01/24/23/332012423.db2.gz AIYZLCJKFKHSQD-CABCVRRESA-N 0 3 289.423 2.524 20 30 CFEDHN C[C@@H]1[C@H](CO)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000488753745 332024105 /nfs/dbraw/zinc/02/41/05/332024105.db2.gz NNSQZUNWIBTZSB-OCCSQVGLSA-N 0 3 297.320 2.760 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@H](C)CN1CCCCCC1 ZINC000488906886 332033414 /nfs/dbraw/zinc/03/34/14/332033414.db2.gz DBBFUDGSSSUZJC-OAHLLOKOSA-N 0 3 289.423 2.668 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000489063721 332040140 /nfs/dbraw/zinc/04/01/40/332040140.db2.gz AZKYALAASZFBMG-GJZGRUSLSA-N 0 3 289.423 2.524 20 30 CFEDHN C=CCn1cccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000489074921 332040570 /nfs/dbraw/zinc/04/05/70/332040570.db2.gz NBAGTCHDJLDOJQ-UHFFFAOYSA-N 0 3 297.402 2.536 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)COCc1cccs1 ZINC000489424780 332051551 /nfs/dbraw/zinc/05/15/51/332051551.db2.gz KPCOCRPGAKDANS-KBPBESRZSA-N 0 3 281.421 2.666 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COCc1cccs1 ZINC000489424783 332051613 /nfs/dbraw/zinc/05/16/13/332051613.db2.gz KPCOCRPGAKDANS-ZIAGYGMSSA-N 0 3 281.421 2.666 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1C ZINC000489453325 332053591 /nfs/dbraw/zinc/05/35/91/332053591.db2.gz YWOYSSZMPRSKOK-HZPDHXFCSA-N 0 3 275.392 2.775 20 30 CFEDHN C#CCN(CCn1ccnc1C)[C@H]1CCc2ccccc21 ZINC000490892473 332125466 /nfs/dbraw/zinc/12/54/66/332125466.db2.gz LIDZPHTZEZIZHC-SFHVURJKSA-N 0 3 279.387 2.814 20 30 CFEDHN C=C(C)CN1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000490939494 332131532 /nfs/dbraw/zinc/13/15/32/332131532.db2.gz VUGHLSDJFWXVNT-CYBMUJFWSA-N 0 3 268.401 2.799 20 30 CFEDHN C#CCN(CCc1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000491209205 332165882 /nfs/dbraw/zinc/16/58/82/332165882.db2.gz CXFHRLLKYGIZRS-SFHVURJKSA-N 0 3 279.387 2.585 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000491241109 332172234 /nfs/dbraw/zinc/17/22/34/332172234.db2.gz GXDQGAORNJJSOE-VYDXJSESSA-N 0 3 290.451 2.520 20 30 CFEDHN C#C[C@@H](N[C@H](C)C1CCOCC1)c1ccc(F)cc1 ZINC000491275326 332178845 /nfs/dbraw/zinc/17/88/45/332178845.db2.gz CWGYVVSLNIJOIE-MLGOLLRUSA-N 0 3 261.340 2.905 20 30 CFEDHN C#C[C@H](C)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000491372538 332199045 /nfs/dbraw/zinc/19/90/45/332199045.db2.gz JLDLBOAXWWHUSN-LBPRGKRZSA-N 0 3 299.330 2.746 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cc(Cl)ccc1C ZINC000491373459 332199455 /nfs/dbraw/zinc/19/94/55/332199455.db2.gz NAKULLGJPPGXKD-UHFFFAOYSA-N 0 3 293.798 2.725 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000491494034 332222110 /nfs/dbraw/zinc/22/21/10/332222110.db2.gz AOSBFQMIRBPQJF-GFCCVEGCSA-N 0 3 276.405 2.914 20 30 CFEDHN C#C[C@@H](C)N(C)CCCc1nc(-c2cccs2)no1 ZINC000491618821 332244971 /nfs/dbraw/zinc/24/49/71/332244971.db2.gz LQSDYCQAJNGAMK-LLVKDONJSA-N 0 3 275.377 2.684 20 30 CFEDHN C#CCN(CCC[C@@H](C)O)[C@H]1CCc2ccccc21 ZINC000491626022 332249592 /nfs/dbraw/zinc/24/95/92/332249592.db2.gz LHGYIORAJZDYFB-PBHICJAKSA-N 0 3 257.377 2.770 20 30 CFEDHN C#CCN(C[C@@H]1CC2(CC2)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000491628314 332251513 /nfs/dbraw/zinc/25/15/13/332251513.db2.gz VFMFHPOXZFWRDT-DOTOQJQBSA-N 0 3 295.382 2.705 20 30 CFEDHN C#CCN(C[C@H]1CC2(CC2)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000491628344 332251642 /nfs/dbraw/zinc/25/16/42/332251642.db2.gz VFMFHPOXZFWRDT-WBVHZDCISA-N 0 3 295.382 2.705 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@H]2CCC(F)(F)C2)n1 ZINC000491654995 332267129 /nfs/dbraw/zinc/26/71/29/332267129.db2.gz FXFSTZSGTZCRRA-ZDUSSCGKSA-N 0 3 281.350 2.774 20 30 CFEDHN C#CCNC(=O)CCN[C@H]1CCCc2sc(Cl)cc21 ZINC000491663214 332272615 /nfs/dbraw/zinc/27/26/15/332272615.db2.gz CWLUTXDOEWJORU-NSHDSACASA-N 0 3 296.823 2.508 20 30 CFEDHN C#CCN(C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491665110 332274050 /nfs/dbraw/zinc/27/40/50/332274050.db2.gz GDQABRLIFVLGBP-UHFFFAOYSA-N 0 3 285.174 2.887 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1ccccc1C(F)(F)F)C(C)C ZINC000491666398 332274940 /nfs/dbraw/zinc/27/49/40/332274940.db2.gz WAMNGGLEXXNOLI-KGLIPLIRSA-N 0 3 285.309 2.986 20 30 CFEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1c(F)cccc1F ZINC000491786768 332349453 /nfs/dbraw/zinc/34/94/53/332349453.db2.gz WMYKGDJHOUAFAK-NSHDSACASA-N 0 3 275.302 2.856 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000491812030 332364308 /nfs/dbraw/zinc/36/43/08/332364308.db2.gz DNUJEUDJQMXAII-WFASDCNBSA-N 0 3 292.810 2.765 20 30 CFEDHN C[C@H](CN1CCC(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000492131013 332384046 /nfs/dbraw/zinc/38/40/46/332384046.db2.gz IKLSPAPSWFUDJS-GFCCVEGCSA-N 0 3 281.400 2.525 20 30 CFEDHN N#CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000492326826 332392702 /nfs/dbraw/zinc/39/27/02/332392702.db2.gz GPBGDHRUWILBMP-MRXNPFEDSA-N 0 3 299.374 2.637 20 30 CFEDHN C[C@]1(CO)CCC[C@H]1NCC#Cc1ccccc1Cl ZINC000493637331 332448055 /nfs/dbraw/zinc/44/80/55/332448055.db2.gz WZLBHTMPIPZYPH-HZPDHXFCSA-N 0 3 277.795 2.832 20 30 CFEDHN CC(C)CCN(CCC#N)CCN1CCC(C)CC1 ZINC000493883107 332457399 /nfs/dbraw/zinc/45/73/99/332457399.db2.gz LVCIIVQMWAILQO-UHFFFAOYSA-N 0 3 265.445 2.980 20 30 CFEDHN C=CCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000495898315 332533085 /nfs/dbraw/zinc/53/30/85/332533085.db2.gz OEHVUHTUQLPDMQ-UHFFFAOYSA-N 0 3 266.385 2.648 20 30 CFEDHN CC(C)[C@H](CNCC1(C#N)CC1)CNC(=O)OC(C)(C)C ZINC000496015491 332536312 /nfs/dbraw/zinc/53/63/12/332536312.db2.gz OVSIMZSYENSNCL-CYBMUJFWSA-N 0 3 295.427 2.677 20 30 CFEDHN C=C(Cl)CN[C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000496905947 332564160 /nfs/dbraw/zinc/56/41/60/332564160.db2.gz CSNQNBQIIUNOEQ-NWDGAFQWSA-N 0 3 274.792 2.586 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCC2(CC#N)CC2)C1 ZINC000497073670 332569183 /nfs/dbraw/zinc/56/91/83/332569183.db2.gz PTIYHIPEDNFNEG-CYBMUJFWSA-N 0 3 293.411 2.669 20 30 CFEDHN C[C@@H](CN1CCC(CCC#N)CC1)NC(=O)OC(C)(C)C ZINC000497108459 332570231 /nfs/dbraw/zinc/57/02/31/332570231.db2.gz RJBAMLCYPIEKHO-ZDUSSCGKSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCCCCNC(=O)N(CCC)CCN1CCCC1 ZINC000502166869 332649821 /nfs/dbraw/zinc/64/98/21/332649821.db2.gz LXNFTXFBJRVQPX-UHFFFAOYSA-N 0 3 281.444 2.860 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@@H]1C[C@H]1C)C(C)C ZINC000503440542 332689711 /nfs/dbraw/zinc/68/97/11/332689711.db2.gz NIVCDPVJFISULH-OWCLPIDISA-N 0 3 293.455 2.640 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(C)c2F)CC1 ZINC000177551480 333060454 /nfs/dbraw/zinc/06/04/54/333060454.db2.gz PMVMCXHZQDZBHO-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(CC)c(CC)o2)CC1 ZINC000177875060 333064914 /nfs/dbraw/zinc/06/49/14/333064914.db2.gz UAVOYBDQCQASMK-UHFFFAOYSA-N 0 3 290.407 2.785 20 30 CFEDHN Cc1n[nH]cc1C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000517095448 333092636 /nfs/dbraw/zinc/09/26/36/333092636.db2.gz MRTABPJEOTZVRR-JSGCOSHPSA-N 0 3 258.369 2.590 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000185759951 333148353 /nfs/dbraw/zinc/14/83/53/333148353.db2.gz CETKIUYXLCJJAB-HNNXBMFYSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(CCOCC(F)F)CCc1ccccc1 ZINC000188914575 333175985 /nfs/dbraw/zinc/17/59/85/333175985.db2.gz VCHVFDPWBUGVRI-UHFFFAOYSA-N 0 3 269.335 2.999 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000190490554 333207606 /nfs/dbraw/zinc/20/76/06/333207606.db2.gz ZYQGGIAJFXHMBD-UKRRQHHQSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCCC[C@@H]1C ZINC000190571246 333208264 /nfs/dbraw/zinc/20/82/64/333208264.db2.gz DXLVAQHOPHUQBA-ZFWWWQNUSA-N 0 3 252.402 2.579 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)CC2CCCCC2)CC1 ZINC000193478620 333250937 /nfs/dbraw/zinc/25/09/37/333250937.db2.gz LVFLASUGDLSUGP-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN CCC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000193631651 333254593 /nfs/dbraw/zinc/25/45/93/333254593.db2.gz RDWLPCOKXQZPPJ-WMZOPIPTSA-N 0 3 299.418 2.926 20 30 CFEDHN C=CCOc1ccc(CN[C@]2(C)CCO[C@H]2C)cc1 ZINC000230150363 333314788 /nfs/dbraw/zinc/31/47/88/333314788.db2.gz VICPSNRNCFJLKW-XJKSGUPXSA-N 0 3 261.365 2.909 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000523414512 333326017 /nfs/dbraw/zinc/32/60/17/333326017.db2.gz CSCGWFWWGVZESL-VHDGCEQUSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000524252819 333358249 /nfs/dbraw/zinc/35/82/49/333358249.db2.gz CCFSBHIKNTWYGH-OAHLLOKOSA-N 0 3 286.419 2.865 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](O)C1CCC1 ZINC000316831013 333405045 /nfs/dbraw/zinc/40/50/45/333405045.db2.gz VRSAHYYSPMSHGF-HNNXBMFYSA-N 0 3 261.365 2.502 20 30 CFEDHN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000541949218 333803348 /nfs/dbraw/zinc/80/33/48/333803348.db2.gz RERNAFDWSFSDKI-ZBFHGGJFSA-N 0 3 291.439 2.792 20 30 CFEDHN CC(C)N1CCN(c2cccc(NCCC#N)c2)CC1 ZINC000576151436 335161141 /nfs/dbraw/zinc/16/11/41/335161141.db2.gz UKTGVTOTENZPJK-UHFFFAOYSA-N 0 3 272.396 2.543 20 30 CFEDHN C=CCC[C@H](CCC)NCc1ccnc(N(C)C)n1 ZINC000546606834 334039882 /nfs/dbraw/zinc/03/98/82/334039882.db2.gz NMWDKHHLASOVLN-ZDUSSCGKSA-N 0 3 262.401 2.767 20 30 CFEDHN C[C@H](C#N)CN[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000546655311 334044102 /nfs/dbraw/zinc/04/41/02/334044102.db2.gz JXTXXNBGZSNBIJ-INMHGKMJSA-N 0 3 271.408 2.646 20 30 CFEDHN CN(C[C@H]1CCCN1CCCC#N)C(=O)OC(C)(C)C ZINC000076016754 334066292 /nfs/dbraw/zinc/06/62/92/334066292.db2.gz RBFMTUPUAJHLMM-CYBMUJFWSA-N 0 3 281.400 2.621 20 30 CFEDHN CC(C)CN(CC(=O)N[C@](C)(C#N)C1CC1)CC(C)(C)C ZINC000134448262 334090816 /nfs/dbraw/zinc/09/08/16/334090816.db2.gz XQPVFBFZOREPPE-QGZVFWFLSA-N 0 3 293.455 2.799 20 30 CFEDHN C=C(C)COCCNC/C=C/c1ccccc1OC ZINC000134502836 334092293 /nfs/dbraw/zinc/09/22/93/334092293.db2.gz CTEQQPYZWDRXAL-SOFGYWHQSA-N 0 3 261.365 2.891 20 30 CFEDHN C=C(C)COCCNCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000134503002 334092665 /nfs/dbraw/zinc/09/26/65/334092665.db2.gz CFVRXSSZUFEGHP-ZDUSSCGKSA-N 0 3 291.391 2.701 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000134910340 334108177 /nfs/dbraw/zinc/10/81/77/334108177.db2.gz METXSMOJDWZMQH-QGZVFWFLSA-N 0 3 274.408 2.967 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)C1(C#N)CCCCC1 ZINC000547798432 334119603 /nfs/dbraw/zinc/11/96/03/334119603.db2.gz FDOAZCWFEKCWEX-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000078269894 334129517 /nfs/dbraw/zinc/12/95/17/334129517.db2.gz KZBYYHPXDAGTNH-UHFFFAOYSA-N 0 3 273.380 2.954 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000079495961 334155775 /nfs/dbraw/zinc/15/57/75/334155775.db2.gz KQTIRYLQHYZVRM-AWEZNQCLSA-N 0 3 269.433 2.570 20 30 CFEDHN C=CCOCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000548864859 334177442 /nfs/dbraw/zinc/17/74/42/334177442.db2.gz NSZCKXAJZKMLHP-UHFFFAOYSA-N 0 3 285.391 2.531 20 30 CFEDHN N#Cc1cccc(C2(N[C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000551818103 334263426 /nfs/dbraw/zinc/26/34/26/334263426.db2.gz SZDLAMTZXJXFCV-ZFWWWQNUSA-N 0 3 251.333 2.829 20 30 CFEDHN C=CCCCN(C)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000246819287 334269999 /nfs/dbraw/zinc/26/99/99/334269999.db2.gz SGBPWPPQNVVJGT-HZSPNIEDSA-N 0 3 252.402 2.672 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1CCCC[C@H]1C ZINC000248885686 334320625 /nfs/dbraw/zinc/32/06/25/334320625.db2.gz DXLVAQHOPHUQBA-UKRRQHHQSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC(C)(C)CNC(=O)CCN(C)c1ccncc1 ZINC000554433965 334430227 /nfs/dbraw/zinc/43/02/27/334430227.db2.gz LBEWPVKNVBZOQA-UHFFFAOYSA-N 0 3 275.396 2.626 20 30 CFEDHN C[C@H]1C[C@H](NCc2cccc(OCCCC#N)c2)CO1 ZINC000567854016 334768683 /nfs/dbraw/zinc/76/86/83/334768683.db2.gz WLEMEYGSHFVPSJ-ZFWWWQNUSA-N 0 3 274.364 2.636 20 30 CFEDHN CS[C@@H]1CCC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000568384021 334821340 /nfs/dbraw/zinc/82/13/40/334821340.db2.gz RUPDOJUJAMJJPV-YNEHKIRRSA-N 0 3 251.399 2.694 20 30 CFEDHN C=CCC(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000293018874 334889237 /nfs/dbraw/zinc/88/92/37/334889237.db2.gz QMCROVSMBCRQDR-UHFFFAOYSA-N 0 3 263.337 2.813 20 30 CFEDHN CN1CCC[C@H](CNCCC#N)[C@H]1c1cccs1 ZINC000577216851 335324491 /nfs/dbraw/zinc/32/44/91/335324491.db2.gz VSOHZZFHPURNHJ-OCCSQVGLSA-N 0 3 263.410 2.634 20 30 CFEDHN COC1CCC(CCNC[C@@H](C#N)CCC#N)CC1 ZINC000577386318 335346362 /nfs/dbraw/zinc/34/63/62/335346362.db2.gz TXSWZHNOVUHHBC-SHARSMKWSA-N 0 3 263.385 2.615 20 30 CFEDHN C[C@H](CCc1ccc2c(c1)OCO2)NC[C@@H](C#N)CCC#N ZINC000577741615 335395162 /nfs/dbraw/zinc/39/51/62/335395162.db2.gz RXGXJNVDZNKVLQ-UKRRQHHQSA-N 0 3 299.374 2.770 20 30 CFEDHN C=CC[C@H]1N(C(=O)CN2CC[C@@H](C)C2)CCCC1(C)C ZINC000577744788 335396103 /nfs/dbraw/zinc/39/61/03/335396103.db2.gz WQARMUCLEBGDHV-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001085551961 782096328 /nfs/dbraw/zinc/09/63/28/782096328.db2.gz QFZBZNYWVNPJFG-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1cn2ccccc2n1 ZINC000578786696 335675211 /nfs/dbraw/zinc/67/52/11/335675211.db2.gz RMSPYUZUYRQPBL-YDHLFZDLSA-N 0 3 271.364 2.576 20 30 CFEDHN COc1ccc([C@H](CCC#N)N[C@H]2CO[C@@H](C)C2)cc1 ZINC000579472358 335767058 /nfs/dbraw/zinc/76/70/58/335767058.db2.gz PQXIPUIEFMBYNW-BJJXKVORSA-N 0 3 274.364 2.807 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085669651 782127085 /nfs/dbraw/zinc/12/70/85/782127085.db2.gz DRWZJRAPPIXZOF-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085701724 782137045 /nfs/dbraw/zinc/13/70/45/782137045.db2.gz WYDOKMKHQDKHNR-MRXNPFEDSA-N 0 3 299.418 2.681 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ccccc21 ZINC001085704923 782139507 /nfs/dbraw/zinc/13/95/07/782139507.db2.gz CSTMYLJFVWJAQD-CQSZACIVSA-N 0 3 297.402 2.890 20 30 CFEDHN CC1(C)C[C@H](O)CCN(Cc2cc(C#N)cs2)C1 ZINC000336224804 520559613 /nfs/dbraw/zinc/55/96/13/520559613.db2.gz FDUGQAPTSBMWPY-GFCCVEGCSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1cccc(Br)c1 ZINC000752161278 574388806 /nfs/dbraw/zinc/38/88/06/574388806.db2.gz QUOWKTHQLIBRJN-SECBINFHSA-N 0 3 282.185 2.799 20 30 CFEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000330287440 533740123 /nfs/dbraw/zinc/74/01/23/533740123.db2.gz BERVCQDGKVTYGT-STQMWFEESA-N 0 3 299.378 2.728 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413073592 533832783 /nfs/dbraw/zinc/83/27/83/533832783.db2.gz OPEOVRZUIGRRFQ-RYUDHWBXSA-N 0 3 276.359 2.625 20 30 CFEDHN C[C@@H]1CCC[C@H](CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330196439 533833051 /nfs/dbraw/zinc/83/30/51/533833051.db2.gz QFZAUPDVXAEXMQ-RDBSUJKOSA-N 0 3 290.411 2.528 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000192635381 533985627 /nfs/dbraw/zinc/98/56/27/533985627.db2.gz HIOYCAPDAPZGHK-SGMGOOAPSA-N 0 3 299.374 2.750 20 30 CFEDHN CC[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447580630 535931047 /nfs/dbraw/zinc/93/10/47/535931047.db2.gz PNQKGYVIOOSUSV-OLZOCXBDSA-N 0 3 286.297 2.912 20 30 CFEDHN C=CCCCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000447795291 517324964 /nfs/dbraw/zinc/32/49/64/517324964.db2.gz NAWXRSQMWDPVKM-LBPRGKRZSA-N 0 3 297.196 2.531 20 30 CFEDHN CC(C#N)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000335998601 534283646 /nfs/dbraw/zinc/28/36/46/534283646.db2.gz ALIXZKFUSIXWCT-SSDOTTSWSA-N 0 3 279.752 2.726 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000332673041 534285261 /nfs/dbraw/zinc/28/52/61/534285261.db2.gz JAQFKVHWRHVSQV-IMSIIYSGSA-N 0 3 260.312 2.725 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000347109358 534285779 /nfs/dbraw/zinc/28/57/79/534285779.db2.gz PHVZDGSJBQPXGU-UISBYWKRSA-N 0 3 282.265 2.837 20 30 CFEDHN Cc1noc(C)c1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330118336 534318210 /nfs/dbraw/zinc/31/82/10/534318210.db2.gz YJSVRIDOEOTQMU-UHFFFAOYSA-N 0 3 277.368 2.613 20 30 CFEDHN CC(C)C[C@H](C)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000337215867 519306239 /nfs/dbraw/zinc/30/62/39/519306239.db2.gz YSNVRAQXLKTELA-HNNXBMFYSA-N 0 3 286.423 2.757 20 30 CFEDHN CCN(C(=O)C1CCN(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000192631277 519901053 /nfs/dbraw/zinc/90/10/53/519901053.db2.gz PAWNKTOYPODYGD-UHFFFAOYSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCCC[C@@H]2O)CN1C1CC1 ZINC000329218058 534490430 /nfs/dbraw/zinc/49/04/30/534490430.db2.gz RGNPYPIDRVQGQR-BHPKHCPMSA-N 0 3 280.412 2.509 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085778010 782162359 /nfs/dbraw/zinc/16/23/59/782162359.db2.gz KBNFIFKEYQQMTG-AWEZNQCLSA-N 0 3 289.423 2.690 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000233771447 520575817 /nfs/dbraw/zinc/57/58/17/520575817.db2.gz OWTOSUUNHRRUII-HOTGVXAUSA-N 0 3 288.391 2.860 20 30 CFEDHN CCN1CC[C@H](N(C)C(=O)c2sccc2C#N)C[C@H]1C ZINC000335170094 521719949 /nfs/dbraw/zinc/71/99/49/521719949.db2.gz PEEFESSBWJOAQH-YPMHNXCESA-N 0 3 291.420 2.565 20 30 CFEDHN CO[C@]1(C)C[C@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000358193431 521767603 /nfs/dbraw/zinc/76/76/03/521767603.db2.gz QXPKUUSSWAXXOB-GOEBONIOSA-N 0 3 276.355 2.991 20 30 CFEDHN COC(=O)C(C)(C)CCN(C)Cc1ccc(C#N)cc1 ZINC000338547268 522750958 /nfs/dbraw/zinc/75/09/58/522750958.db2.gz VTKSXQXDEWTGBL-UHFFFAOYSA-N 0 3 274.364 2.579 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCCOC1 ZINC000192015158 523207866 /nfs/dbraw/zinc/20/78/66/523207866.db2.gz NLBBSOAILDRMPE-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)C1CCCCC1 ZINC000191297304 523210947 /nfs/dbraw/zinc/21/09/47/523210947.db2.gz UCVHINYOPZQIAZ-QGZVFWFLSA-N 0 3 272.392 2.931 20 30 CFEDHN COCCN(CCC1CC1)Cc1ccc(C#N)cc1 ZINC000360064043 523693575 /nfs/dbraw/zinc/69/35/75/523693575.db2.gz RGVGXQOPVXBPDH-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000234832338 523775416 /nfs/dbraw/zinc/77/54/16/523775416.db2.gz NVORLMOXDDBIAJ-UONOGXRCSA-N 0 3 262.328 2.600 20 30 CFEDHN CC[C@H](C)CN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246347879 523871141 /nfs/dbraw/zinc/87/11/41/523871141.db2.gz FUIKOYLDRLCUMN-AAEUAGOBSA-N 0 3 291.420 2.703 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000233982612 523956693 /nfs/dbraw/zinc/95/66/93/523956693.db2.gz MMXPKALGVNNBSE-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000378631887 523972194 /nfs/dbraw/zinc/97/21/94/523972194.db2.gz KENPFHSTJMGMMN-NSHDSACASA-N 0 3 250.367 2.621 20 30 CFEDHN CN1CC[C@H](CNc2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000361155469 523978989 /nfs/dbraw/zinc/97/89/89/523978989.db2.gz WMQHFUPXNCMXII-CZUORRHYSA-N 0 3 298.415 2.542 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000227829727 524013928 /nfs/dbraw/zinc/01/39/28/524013928.db2.gz IFBKUQBFQMLNQC-NEPJUHHUSA-N 0 3 250.367 2.523 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000300626401 524014103 /nfs/dbraw/zinc/01/41/03/524014103.db2.gz GJZANJGSEWSBAW-KGLIPLIRSA-N 0 3 262.328 2.600 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2-n2cccn2)C1 ZINC000349798605 534755832 /nfs/dbraw/zinc/75/58/32/534755832.db2.gz FWGOLGWMAIEJNN-DZGCQCFKSA-N 0 3 266.348 2.654 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cscc1C#N ZINC000340044588 524278511 /nfs/dbraw/zinc/27/85/11/524278511.db2.gz FFFCPVUANSWORH-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ccc(C#N)cc1F ZINC000049502134 524608151 /nfs/dbraw/zinc/60/81/51/524608151.db2.gz NDWYDHVFDXMHSQ-LBPRGKRZSA-N 0 3 261.344 2.984 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000340332891 524657681 /nfs/dbraw/zinc/65/76/81/524657681.db2.gz JFJVXYRCVLGWOD-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C[C@H](C[S@@](C)=O)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360882957 524671294 /nfs/dbraw/zinc/67/12/94/524671294.db2.gz HWOQGJAUUFNWBR-CBLJQSSYSA-N 0 3 290.432 2.682 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192141404 534806659 /nfs/dbraw/zinc/80/66/59/534806659.db2.gz UYEJYMKSVYQJSF-APHBMKBZSA-N 0 3 297.345 2.712 20 30 CFEDHN C[C@H]1OCC[C@]1(C)NCc1ccc(C#N)cc1Cl ZINC000235651365 525053671 /nfs/dbraw/zinc/05/36/71/525053671.db2.gz OVCWROMOZRHEQL-YGRLFVJLSA-N 0 3 264.756 2.869 20 30 CFEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccco1 ZINC000161727713 525404274 /nfs/dbraw/zinc/40/42/74/525404274.db2.gz LCPDBDNRZRJXCY-CYBMUJFWSA-N 0 3 296.374 2.866 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(CO)c1 ZINC000305769935 525453096 /nfs/dbraw/zinc/45/30/96/525453096.db2.gz GVEDQDOOARPRFQ-CQSZACIVSA-N 0 3 296.370 2.780 20 30 CFEDHN C[C@H](N[C@H](CO)Cc1ccccc1)c1cccc(C#N)c1 ZINC000063218836 525595701 /nfs/dbraw/zinc/59/57/01/525595701.db2.gz QCKGUXAXDBDURA-KSSFIOAISA-N 0 3 280.371 2.812 20 30 CFEDHN C[C@@H](N[C@H]1CCOC1(C)C)c1ccc(C#N)cc1F ZINC000334896573 525683778 /nfs/dbraw/zinc/68/37/78/525683778.db2.gz RIEIXTSJFZWDSU-YGRLFVJLSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000067182434 525782434 /nfs/dbraw/zinc/78/24/34/525782434.db2.gz SMTBVMSIUZBIGO-AWEZNQCLSA-N 0 3 296.370 2.608 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000163874664 525796421 /nfs/dbraw/zinc/79/64/21/525796421.db2.gz LHZYWEHUIBSZCZ-FZMZJTMJSA-N 0 3 278.783 2.947 20 30 CFEDHN Cc1ccc([C@H](CNc2cc(C#N)cc(C)n2)N(C)C)cc1 ZINC000340021254 525954641 /nfs/dbraw/zinc/95/46/41/525954641.db2.gz HOWITLRXPZONGC-KRWDZBQOSA-N 0 3 294.402 2.707 20 30 CFEDHN C[C@@H]1CC2(CCC2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000336138938 526235190 /nfs/dbraw/zinc/23/51/90/526235190.db2.gz WWRIOPVJAFKKCO-CYBMUJFWSA-N 0 3 280.375 2.970 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C2CCC2)C2CCC2)CC1 ZINC000352268729 526421173 /nfs/dbraw/zinc/42/11/73/526421173.db2.gz BNSFSTSHWAEFNW-UHFFFAOYSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC3(C2)CCCCC3)CC1 ZINC000336559338 526425775 /nfs/dbraw/zinc/42/57/75/526425775.db2.gz IAJDTBZDGPRANI-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000351844706 526443747 /nfs/dbraw/zinc/44/37/47/526443747.db2.gz NBDWQJOYUDZGFP-UHFFFAOYSA-N 0 3 290.382 2.940 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC(C)(C2CC2)CC1 ZINC000352202515 526520301 /nfs/dbraw/zinc/52/03/01/526520301.db2.gz ZKQLQIHMVPIEHT-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCCCc2ccc(Cl)cc21 ZINC000347326575 526574012 /nfs/dbraw/zinc/57/40/12/526574012.db2.gz BVMOJVVYUMAQPS-HNNXBMFYSA-N 0 3 292.810 2.999 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2sccc2C)CC1 ZINC000106039459 526602457 /nfs/dbraw/zinc/60/24/57/526602457.db2.gz IEBCVMGMMSXKHQ-UHFFFAOYSA-N 0 3 278.421 2.827 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@]3(CCCOC3)C2)cc1 ZINC000336376370 526613908 /nfs/dbraw/zinc/61/39/08/526613908.db2.gz NHXKXZQUSOBRBS-KRWDZBQOSA-N 0 3 270.376 2.951 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)s1 ZINC000334785103 526617567 /nfs/dbraw/zinc/61/75/67/526617567.db2.gz DYTDLCBMVOAQSJ-JKSUJKDBSA-N 0 3 290.432 2.993 20 30 CFEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)c(F)c1 ZINC000336116829 526628113 /nfs/dbraw/zinc/62/81/13/526628113.db2.gz VWTRIPQIYIMEGC-AWEZNQCLSA-N 0 3 282.318 2.660 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)c(O)c1 ZINC000353267861 526656420 /nfs/dbraw/zinc/65/64/20/526656420.db2.gz QCJYYRBANYZXFE-LBPRGKRZSA-N 0 3 265.353 2.644 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CO)CC(F)F ZINC000360873154 526691018 /nfs/dbraw/zinc/69/10/18/526691018.db2.gz ONBGYCOLJOQVDI-ZFWWWQNUSA-N 0 3 294.345 2.931 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000347326773 526699616 /nfs/dbraw/zinc/69/96/16/526699616.db2.gz WXSSTJXBNXGSIG-UKRRQHHQSA-N 0 3 264.413 2.722 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2OCCc3ccccc32)c1 ZINC000070988872 526707550 /nfs/dbraw/zinc/70/75/50/526707550.db2.gz JNXCNARXCVETLU-SFHVURJKSA-N 0 3 278.355 2.962 20 30 CFEDHN N#Cc1ccncc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000306345588 526765095 /nfs/dbraw/zinc/76/50/95/526765095.db2.gz OJGDKLMBQDSRLK-INIZCTEOSA-N 0 3 278.359 2.640 20 30 CFEDHN N#Cc1csc(CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000361252715 526781625 /nfs/dbraw/zinc/78/16/25/526781625.db2.gz RVTUQZZWUUMDGW-QGZVFWFLSA-N 0 3 298.411 2.756 20 30 CFEDHN C=C(CC)CN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000347640664 526860624 /nfs/dbraw/zinc/86/06/24/526860624.db2.gz QCFGKIIOWDWZCC-YOEHRIQHSA-N 0 3 251.395 2.662 20 30 CFEDHN C=CCOc1cccc(CNCC[C@@H](O)C(F)(F)F)c1 ZINC000349295926 526902189 /nfs/dbraw/zinc/90/21/89/526902189.db2.gz LANAOCAXODTYLS-CYBMUJFWSA-N 0 3 289.297 2.654 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CCC1 ZINC000344649731 527054449 /nfs/dbraw/zinc/05/44/49/527054449.db2.gz VQNLQGUMPINXKX-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCCCN2C2CC2)CCC1 ZINC000347315294 527055369 /nfs/dbraw/zinc/05/53/69/527055369.db2.gz PORBDHKVBDJDLM-HNNXBMFYSA-N 0 3 276.424 2.866 20 30 CFEDHN C#CCOc1ccc(CNC[C@@H](O)c2ccccc2C)cc1 ZINC000113342105 527104750 /nfs/dbraw/zinc/10/47/50/527104750.db2.gz KQGGNZHDMVJIOC-LJQANCHMSA-N 0 3 295.382 2.830 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000347748875 527156719 /nfs/dbraw/zinc/15/67/19/527156719.db2.gz HSZHHXXXJBNPKM-ZNMIVQPWSA-N 0 3 281.444 2.761 20 30 CFEDHN Cn1cc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1C#N ZINC000377835490 527200583 /nfs/dbraw/zinc/20/05/83/527200583.db2.gz UKHZQGPAMJOTHP-LSDHHAIUSA-N 0 3 287.407 2.535 20 30 CFEDHN Cn1cc(CNCc2coc3ccccc23)cc1C#N ZINC000339407469 527220222 /nfs/dbraw/zinc/22/02/22/527220222.db2.gz NELZDXGMXOALGA-UHFFFAOYSA-N 0 3 265.316 2.933 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418094223 527220359 /nfs/dbraw/zinc/22/03/59/527220359.db2.gz DLNLNFIZQVPCAC-OAHLLOKOSA-N 0 3 275.396 2.514 20 30 CFEDHN C=CCCC[C@H](C)NCc1cn(C(C)(C)C)nn1 ZINC000191562026 527296573 /nfs/dbraw/zinc/29/65/73/527296573.db2.gz ISWVFCLSJMRYMU-LBPRGKRZSA-N 0 3 250.390 2.868 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CNC2 ZINC000334882451 527453127 /nfs/dbraw/zinc/45/31/27/527453127.db2.gz KIUBAMCUKKBPCC-OAHLLOKOSA-N 0 3 271.364 2.862 20 30 CFEDHN CC(C)(C#N)CCCN[C@](C)(CO)c1cccc(O)c1 ZINC000347720334 527464514 /nfs/dbraw/zinc/46/45/14/527464514.db2.gz NOUDXZAZTUAESJ-MRXNPFEDSA-N 0 3 276.380 2.519 20 30 CFEDHN C=CCN(CC)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000367001024 527591238 /nfs/dbraw/zinc/59/12/38/527591238.db2.gz NGHLTHCBABBPFK-HZPDHXFCSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CC(C)C1)C(C)C ZINC000356012146 527645437 /nfs/dbraw/zinc/64/54/37/527645437.db2.gz LTDWMBUFMZDNGW-GPANFISMSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1=CCCC1)C(C)C ZINC000349655008 527645538 /nfs/dbraw/zinc/64/55/38/527645538.db2.gz LHGCRQHWIIUBQZ-INIZCTEOSA-N 0 3 276.424 2.912 20 30 CFEDHN CC1(C)C[C@]1(C#N)NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000330309024 527768988 /nfs/dbraw/zinc/76/89/88/527768988.db2.gz MPXNJYHHNJNRNT-IUODEOHRSA-N 0 3 261.369 2.510 20 30 CFEDHN CCC1CCC(N(C)CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000353444980 527840996 /nfs/dbraw/zinc/84/09/96/527840996.db2.gz VWGWWVPSYHOJJI-FHERZECASA-N 0 3 293.455 2.895 20 30 CFEDHN CCCN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192572845 527870977 /nfs/dbraw/zinc/87/09/77/527870977.db2.gz UXLKIVZFFJSHCU-QGZVFWFLSA-N 0 3 297.402 2.928 20 30 CFEDHN CCN(CC)C(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345708288 527987961 /nfs/dbraw/zinc/98/79/61/527987961.db2.gz IBOZJOJECIRBGA-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN CCCC1CCC(N(C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000347122367 528070419 /nfs/dbraw/zinc/07/04/19/528070419.db2.gz NFPDUVBLPPYIDL-UHFFFAOYSA-N 0 3 291.439 2.840 20 30 CFEDHN CCCN(CCc1cccs1)C(=O)C(C)C#N ZINC000344795311 528114580 /nfs/dbraw/zinc/11/45/80/528114580.db2.gz NJHXFOQBAPSICF-LLVKDONJSA-N 0 3 250.367 2.689 20 30 CFEDHN CCOc1c(Cl)cc(CNC(=O)C(C)C#N)cc1OC ZINC000345758676 528171640 /nfs/dbraw/zinc/17/16/40/528171640.db2.gz JMBYFSXVWYIGHJ-VIFPVBQESA-N 0 3 296.754 2.523 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(CC#N)cc2)C1 ZINC000347453132 528510567 /nfs/dbraw/zinc/51/05/67/528510567.db2.gz QHLWBAJIBQHXRW-UHFFFAOYSA-N 0 3 258.365 2.752 20 30 CFEDHN CCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347076716 528718863 /nfs/dbraw/zinc/71/88/63/528718863.db2.gz ULCKJTKMCHJLLY-NWDGAFQWSA-N 0 3 290.363 2.821 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085801997 782167312 /nfs/dbraw/zinc/16/73/12/782167312.db2.gz IMCSKHBPXGOWTO-MRXNPFEDSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2C(C)C)CC1 ZINC001085801978 782167607 /nfs/dbraw/zinc/16/76/07/782167607.db2.gz IAFARRBQCCDOKA-HNNXBMFYSA-N 0 3 264.413 2.674 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1cccc(OC)c1 ZINC000353835010 529032648 /nfs/dbraw/zinc/03/26/48/529032648.db2.gz CFRKAXMXUAFDCZ-NWDGAFQWSA-N 0 3 260.337 2.764 20 30 CFEDHN CC(C)[C@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345795533 529126162 /nfs/dbraw/zinc/12/61/62/529126162.db2.gz UXDYMAJVLRZUNL-ZBFHGGJFSA-N 0 3 299.418 2.924 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000457096681 535240216 /nfs/dbraw/zinc/24/02/16/535240216.db2.gz RJVHLPYIYQEEMH-PBHICJAKSA-N 0 3 299.418 2.603 20 30 CFEDHN CC[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000248893908 536123430 /nfs/dbraw/zinc/12/34/30/536123430.db2.gz HGNMEXLYJPHFPD-QWHCGFSZSA-N 0 3 273.380 2.863 20 30 CFEDHN COc1cc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1C#N ZINC000443064176 536768148 /nfs/dbraw/zinc/76/81/48/536768148.db2.gz FMCZVRKWKQTCRW-HEHGZKQESA-N 0 3 288.391 2.548 20 30 CFEDHN Cc1nccn1CCNC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329817499 545511323 /nfs/dbraw/zinc/51/13/23/545511323.db2.gz WRSOMXUCPAESKJ-RRFJBIMHSA-N 0 3 290.411 2.664 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085840533 782180487 /nfs/dbraw/zinc/18/04/87/782180487.db2.gz KJYKDZQSMSJUPM-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)COC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000744041009 574049941 /nfs/dbraw/zinc/04/99/41/574049941.db2.gz XHGWEIMJAPWTJX-ZDUSSCGKSA-N 0 3 293.750 2.812 20 30 CFEDHN CC[N@H+](CCCCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538490 574058473 /nfs/dbraw/zinc/05/84/73/574058473.db2.gz XITLHPMTHDHPSA-ZDUSSCGKSA-N 0 3 298.394 2.943 20 30 CFEDHN CC[N@@H+](CCCCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736538490 574058474 /nfs/dbraw/zinc/05/84/74/574058474.db2.gz XITLHPMTHDHPSA-ZDUSSCGKSA-N 0 3 298.394 2.943 20 30 CFEDHN CC[N@H+](CCCCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736538490 574058475 /nfs/dbraw/zinc/05/84/75/574058475.db2.gz XITLHPMTHDHPSA-ZDUSSCGKSA-N 0 3 298.394 2.943 20 30 CFEDHN CC[N@@H+](CCCCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736538490 574058476 /nfs/dbraw/zinc/05/84/76/574058476.db2.gz XITLHPMTHDHPSA-ZDUSSCGKSA-N 0 3 298.394 2.943 20 30 CFEDHN CCN(CCO)c1ccc(C=NNC2CCCC2)c(C)c1 ZINC000727652139 574058617 /nfs/dbraw/zinc/05/86/17/574058617.db2.gz JYDHKBVOAYRIOM-UHFFFAOYSA-N 0 3 289.423 2.680 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000736671704 574064589 /nfs/dbraw/zinc/06/45/89/574064589.db2.gz CBNCMASFVUFUAT-ZJUUUORDSA-N 0 3 250.729 2.547 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000754256681 574084632 /nfs/dbraw/zinc/08/46/32/574084632.db2.gz YQBMDKPBVRNHHL-LLVKDONJSA-N 0 3 276.340 2.723 20 30 CFEDHN COC(C)(C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000730917677 574103699 /nfs/dbraw/zinc/10/36/99/574103699.db2.gz ONVNRJAGMYPFNN-LBPRGKRZSA-N 0 3 268.316 2.836 20 30 CFEDHN CCCCCCOCC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000730921377 574103836 /nfs/dbraw/zinc/10/38/36/574103836.db2.gz YIBSQPXNFFYKMC-CQSZACIVSA-N 0 3 289.379 2.867 20 30 CFEDHN C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000728715263 574105621 /nfs/dbraw/zinc/10/56/21/574105621.db2.gz SZCRALBVMIAHNT-CYBMUJFWSA-N 0 3 282.343 2.973 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000728715264 574105848 /nfs/dbraw/zinc/10/58/48/574105848.db2.gz SZCRALBVMIAHNT-ZDUSSCGKSA-N 0 3 282.343 2.973 20 30 CFEDHN CCCCCCCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000731025745 574107298 /nfs/dbraw/zinc/10/72/98/574107298.db2.gz YRYQJUYWLQITCR-AWEZNQCLSA-N 0 3 254.418 2.805 20 30 CFEDHN Cc1ccc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000754658888 574111530 /nfs/dbraw/zinc/11/15/30/574111530.db2.gz APBBWTIIGRKUGB-SWLSCSKDSA-N 0 3 293.436 2.762 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1csc2ccccc21 ZINC000754733319 574117384 /nfs/dbraw/zinc/11/73/84/574117384.db2.gz OMLQNSRKMCCOGZ-NSHDSACASA-N 0 3 274.389 2.854 20 30 CFEDHN COc1ccc(CCNN=Cc2ccc(N(C)C)cc2)cc1 ZINC000737439941 574141490 /nfs/dbraw/zinc/14/14/90/574141490.db2.gz PNAWFNBRJLLXPT-UHFFFAOYSA-N 0 3 297.402 2.927 20 30 CFEDHN CC[C@@H]1CN(CC(=O)NCCC#N)CC[C@H]1c1ccccc1 ZINC000746669353 574161468 /nfs/dbraw/zinc/16/14/68/574161468.db2.gz UJPIUTVJNIUIBC-NVXWUHKLSA-N 0 3 299.418 2.532 20 30 CFEDHN COc1ccc(C[NH2+]Cc2cc(C)ccc2[O-])cc1C#N ZINC000746740949 574165432 /nfs/dbraw/zinc/16/54/32/574165432.db2.gz JJWMSJVFRGFMDS-UHFFFAOYSA-N 0 3 282.343 2.871 20 30 CFEDHN COc1ccc(CNCc2cc(C)ccc2O)cc1C#N ZINC000746740949 574165434 /nfs/dbraw/zinc/16/54/34/574165434.db2.gz JJWMSJVFRGFMDS-UHFFFAOYSA-N 0 3 282.343 2.871 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCOC1 ZINC000755584462 574169731 /nfs/dbraw/zinc/16/97/31/574169731.db2.gz WVDUFZDEYJFAGD-BONVTDFDSA-N 0 3 286.356 2.899 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000732918595 574178157 /nfs/dbraw/zinc/17/81/57/574178157.db2.gz PHFBNELMKQMWHS-QGZVFWFLSA-N 0 3 284.334 2.695 20 30 CFEDHN Cc1ccccc1CON=C(N)c1ccc(CN(C)C)cc1 ZINC000747838697 574215268 /nfs/dbraw/zinc/21/52/68/574215268.db2.gz IACLCZZADPERLU-UHFFFAOYSA-N 0 3 297.402 2.894 20 30 CFEDHN N#Cc1csc(CNC[C@@]2(O)CCCc3ccccc32)c1 ZINC000748099480 574229413 /nfs/dbraw/zinc/22/94/13/574229413.db2.gz PJNSDTMKCQLFCI-KRWDZBQOSA-N 0 3 298.411 2.933 20 30 CFEDHN N#Cc1csc(CNC[C@@H](O)c2c(F)cccc2F)c1 ZINC000748099548 574229459 /nfs/dbraw/zinc/22/94/59/574229459.db2.gz YGRWYKDGSNXHJS-CYBMUJFWSA-N 0 3 294.326 2.721 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2cccc(C)c2)CC1 ZINC000729943130 574239493 /nfs/dbraw/zinc/23/94/93/574239493.db2.gz ZXHDWFJQKNANOL-UHFFFAOYSA-N 0 3 289.448 2.932 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000729943001 574239574 /nfs/dbraw/zinc/23/95/74/574239574.db2.gz WPCOWRHVFZZBFE-UHFFFAOYSA-N 0 3 293.411 2.763 20 30 CFEDHN C#CCOCCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000756507001 574241962 /nfs/dbraw/zinc/24/19/62/574241962.db2.gz ZYJJZVMUJMVRLD-LLVKDONJSA-N 0 3 284.340 2.512 20 30 CFEDHN N#CC(C(=O)CCc1cscn1)c1nc2ccccc2[nH]1 ZINC000733677993 574250745 /nfs/dbraw/zinc/25/07/45/574250745.db2.gz XFZMVEOIXVWOSE-LLVKDONJSA-N 0 3 296.355 2.828 20 30 CFEDHN CC1=CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000756638190 574254717 /nfs/dbraw/zinc/25/47/17/574254717.db2.gz URXLSQALQJVVQP-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756786905 574262965 /nfs/dbraw/zinc/26/29/65/574262965.db2.gz MHXITCPVBOVVDC-KGLIPLIRSA-N 0 3 263.381 2.844 20 30 CFEDHN FC(F)CNN=C1CCCC[C@H]1N1CCCCC1 ZINC000748789052 574266427 /nfs/dbraw/zinc/26/64/27/574266427.db2.gz LTMPXRFFNYTCIP-GFCCVEGCSA-N 0 3 259.344 2.626 20 30 CFEDHN COCCON=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000748792340 574266959 /nfs/dbraw/zinc/26/69/59/574266959.db2.gz ZKVQFUFYRPCWHR-CVRFYYNDSA-N 0 3 274.364 2.947 20 30 CFEDHN CCCN(C/C=C(/C)C(=O)OC)Cc1ccc(C#N)cc1 ZINC000748813970 574267964 /nfs/dbraw/zinc/26/79/64/574267964.db2.gz RTANUYVGEYQLDX-ZROIWOOFSA-N 0 3 286.375 2.890 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2COc3ccccc3C2)s1 ZINC000749108962 574280131 /nfs/dbraw/zinc/28/01/31/574280131.db2.gz MMSCPBBMVOKRKH-GFCCVEGCSA-N 0 3 284.384 2.961 20 30 CFEDHN C#CCN(CC)Cc1ccccc1CN(CC)CC#C ZINC000749154915 574282390 /nfs/dbraw/zinc/28/23/90/574282390.db2.gz IPWDLHOFPQZRCO-UHFFFAOYSA-N 0 3 268.404 2.597 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](O)c1ccc(C)o1 ZINC000741261608 574285168 /nfs/dbraw/zinc/28/51/68/574285168.db2.gz PLGVJUKCOBJIEB-OAHLLOKOSA-N 0 3 287.359 2.976 20 30 CFEDHN C[C@@H]1CC(N=Nc2ncnc3sccc32)CCN1C ZINC000741453909 574290800 /nfs/dbraw/zinc/29/08/00/574290800.db2.gz BOWYKGNVVGCTAS-SECBINFHSA-N 0 3 275.381 2.573 20 30 CFEDHN C[C@H]1CC(=NNCCCOc2ccccc2)CCN1C ZINC000741463538 574291841 /nfs/dbraw/zinc/29/18/41/574291841.db2.gz DIXDQNORDAHANG-AWEZNQCLSA-N 0 3 275.396 2.515 20 30 CFEDHN COC(=O)CC(C)(C)NCC#Cc1ccccc1Cl ZINC000749529011 574299477 /nfs/dbraw/zinc/29/94/77/574299477.db2.gz UQENRVKBSGNVBX-UHFFFAOYSA-N 0 3 279.767 2.623 20 30 CFEDHN C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000725803754 574311803 /nfs/dbraw/zinc/31/18/03/574311803.db2.gz OWOALSQHJRRIKT-RYUDHWBXSA-N 0 3 299.399 2.814 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000735206177 574316479 /nfs/dbraw/zinc/31/64/79/574316479.db2.gz AKJNVPQPZXBQTJ-OMPYUXFZSA-N 0 3 256.305 2.690 20 30 CFEDHN N#Cc1cc2ccccc2nc1N1CC[C@@H](N2CC=CC2)C1 ZINC000750029136 574321977 /nfs/dbraw/zinc/32/19/77/574321977.db2.gz BLEIOKWOKQBYII-MRXNPFEDSA-N 0 3 290.370 2.557 20 30 CFEDHN C=CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735413335 574322663 /nfs/dbraw/zinc/32/26/63/574322663.db2.gz RXWRCAANALUTLB-UHFFFAOYSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000735413335 574322665 /nfs/dbraw/zinc/32/26/65/574322665.db2.gz RXWRCAANALUTLB-UHFFFAOYSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000735413335 574322666 /nfs/dbraw/zinc/32/26/66/574322666.db2.gz RXWRCAANALUTLB-UHFFFAOYSA-N 0 3 285.395 2.901 20 30 CFEDHN C=CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000735413335 574322668 /nfs/dbraw/zinc/32/26/68/574322668.db2.gz RXWRCAANALUTLB-UHFFFAOYSA-N 0 3 285.395 2.901 20 30 CFEDHN C#CCCCNCc1cnc(-c2ccccc2)nc1 ZINC000742385156 574326612 /nfs/dbraw/zinc/32/66/12/574326612.db2.gz WQRBVFAYQGFPCH-UHFFFAOYSA-N 0 3 251.333 2.647 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1C[C@](C)(OC)C1(C)C ZINC000744448476 574335841 /nfs/dbraw/zinc/33/58/41/574335841.db2.gz JUFSHJBOCWNUQT-WMZOPIPTSA-N 0 3 287.403 2.992 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000742644222 574337929 /nfs/dbraw/zinc/33/79/29/574337929.db2.gz WKAMEDNUBHAUBV-AWEZNQCLSA-N 0 3 290.407 2.848 20 30 CFEDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1cccc(C#N)c1 ZINC000743497337 574367064 /nfs/dbraw/zinc/36/70/64/574367064.db2.gz VZLSBXDHITVDBU-LLVKDONJSA-N 0 3 296.326 2.843 20 30 CFEDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccc(C#N)c1 ZINC000743497337 574367065 /nfs/dbraw/zinc/36/70/65/574367065.db2.gz VZLSBXDHITVDBU-LLVKDONJSA-N 0 3 296.326 2.843 20 30 CFEDHN C#CCCN1CCC(NC(=O)C2CCCCCCC2)CC1 ZINC000743493259 574367099 /nfs/dbraw/zinc/36/70/99/574367099.db2.gz LCORKBMPZBBVLK-UHFFFAOYSA-N 0 3 290.451 2.951 20 30 CFEDHN CC(N=Nc1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000743525427 574368040 /nfs/dbraw/zinc/36/80/40/574368040.db2.gz DLNVMPPMSZVALE-UHFFFAOYSA-N 0 3 298.390 2.858 20 30 CFEDHN C#CCCN1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000751147528 574369993 /nfs/dbraw/zinc/36/99/93/574369993.db2.gz CVPDTKWKQFMOIS-UHFFFAOYSA-N 0 3 285.391 2.604 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)c1nc2ccccc2[nH]1 ZINC000744010924 574375816 /nfs/dbraw/zinc/37/58/16/574375816.db2.gz SZFFLRGGRKFWFS-SKVAFPRGSA-N 0 3 251.289 2.705 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C(C)=C/C)C(C)C ZINC000751383485 574376126 /nfs/dbraw/zinc/37/61/26/574376126.db2.gz WMCMRFVENIKINE-HNRFISLBSA-N 0 3 264.413 2.767 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000751454244 574377096 /nfs/dbraw/zinc/37/70/96/574377096.db2.gz SHUQQBTWHUGHOK-UHFFFAOYSA-N 0 3 298.308 2.989 20 30 CFEDHN C#CCOCCN[C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000753772749 574410096 /nfs/dbraw/zinc/41/00/96/574410096.db2.gz ZWIIICMEVCUHCL-AWEZNQCLSA-N 0 3 291.391 2.784 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000935663157 649927462 /nfs/dbraw/zinc/92/74/62/649927462.db2.gz PDKPBNBFKVCTMR-UKRRQHHQSA-N 0 3 264.413 2.722 20 30 CFEDHN COc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H]2CCCCN21 ZINC000900437583 620676977 /nfs/dbraw/zinc/67/69/77/620676977.db2.gz CPDWEFIAEUFCAZ-UKRRQHHQSA-N 0 3 299.374 2.522 20 30 CFEDHN N#CCCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826381693 608509690 /nfs/dbraw/zinc/50/96/90/608509690.db2.gz VMBUEMSGBFPBDA-OAHLLOKOSA-N 0 3 296.378 2.528 20 30 CFEDHN N#CCCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826381693 608509692 /nfs/dbraw/zinc/50/96/92/608509692.db2.gz VMBUEMSGBFPBDA-OAHLLOKOSA-N 0 3 296.378 2.528 20 30 CFEDHN C#CCCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823840876 608522453 /nfs/dbraw/zinc/52/24/53/608522453.db2.gz GBJCOGUSBXKORI-MRXNPFEDSA-N 0 3 295.390 2.637 20 30 CFEDHN C#CCCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823840876 608522457 /nfs/dbraw/zinc/52/24/57/608522457.db2.gz GBJCOGUSBXKORI-MRXNPFEDSA-N 0 3 295.390 2.637 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000970913961 612995110 /nfs/dbraw/zinc/99/51/10/612995110.db2.gz UWJYZZADPMIHFO-CQSZACIVSA-N 0 3 296.414 2.637 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969735541 612996986 /nfs/dbraw/zinc/99/69/86/612996986.db2.gz VJBZBHQJFOAEKE-HOTGVXAUSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC000968735648 613001164 /nfs/dbraw/zinc/00/11/64/613001164.db2.gz MXQSRYGBOPIKHQ-OAHLLOKOSA-N 0 3 288.391 2.586 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967990877 613013585 /nfs/dbraw/zinc/01/35/85/613013585.db2.gz CSIKDEVGKOVBGY-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967990876 613022758 /nfs/dbraw/zinc/02/27/58/613022758.db2.gz CSIKDEVGKOVBGY-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566385 613022952 /nfs/dbraw/zinc/02/29/52/613022952.db2.gz RURLXQJRKMXMMM-QAETUUGQSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2=CCCCCC2)CC1 ZINC000948326564 613161448 /nfs/dbraw/zinc/16/14/48/613161448.db2.gz DUNSNXRQDDUMLE-QGZVFWFLSA-N 0 3 288.435 2.823 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC000948541323 613161972 /nfs/dbraw/zinc/16/19/72/613161972.db2.gz 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/nfs/dbraw/zinc/25/53/54/613255354.db2.gz LLPHQPBLKLAHTE-UHFFFAOYSA-N 0 3 276.380 2.702 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)C[C@H]1C ZINC000948008105 613256684 /nfs/dbraw/zinc/25/66/84/613256684.db2.gz ZQHSKGKPZBWHST-WBVHZDCISA-N 0 3 298.430 2.567 20 30 CFEDHN C=C(C)CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966520896 613264135 /nfs/dbraw/zinc/26/41/35/613264135.db2.gz GJYRWNOSORIPLZ-OLZOCXBDSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CCN1CC[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966520891 613264538 /nfs/dbraw/zinc/26/45/38/613264538.db2.gz GJYRWNOSORIPLZ-CHWSQXEVSA-N 0 3 293.436 2.550 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H](C)C1 ZINC000942585553 613268617 /nfs/dbraw/zinc/26/86/17/613268617.db2.gz HHDYQVWQWQAZGX-QAPCUYQASA-N 0 3 298.430 2.713 20 30 CFEDHN C=C(C)CCN1CC[C@H](C)[C@@H](NC(=O)c2cncs2)C1 ZINC000965415896 613269503 /nfs/dbraw/zinc/26/95/03/613269503.db2.gz BWTITAMFLWTDIJ-STQMWFEESA-N 0 3 293.436 2.550 20 30 CFEDHN 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/nfs/dbraw/zinc/30/28/85/618302885.db2.gz RUDDCIMENSIVPY-AWEZNQCLSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001024401379 618308025 /nfs/dbraw/zinc/30/80/25/618308025.db2.gz AXJPWTXLENLVJY-OAHLLOKOSA-N 0 3 276.380 2.748 20 30 CFEDHN Cc1cc(F)c(C#N)c(N(C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000892472431 618317434 /nfs/dbraw/zinc/31/74/34/618317434.db2.gz WHGFDAMULUHZHV-CYBMUJFWSA-N 0 3 273.355 2.679 20 30 CFEDHN C=CCN(C[C@H](O)c1cccc(C)c1)[C@H](C)COC ZINC000930930433 618341548 /nfs/dbraw/zinc/34/15/48/618341548.db2.gz HRRCGKWOICTJCV-ZBFHGGJFSA-N 0 3 263.381 2.551 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001024536749 618349605 /nfs/dbraw/zinc/34/96/05/618349605.db2.gz TVXCNYALCXBRTH-AWEZNQCLSA-N 0 3 297.402 2.938 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc(C(C)(C)C)oc1C ZINC000895132534 618355522 /nfs/dbraw/zinc/35/55/22/618355522.db2.gz URGAHRWJEVUNEG-CQSZACIVSA-N 0 3 263.381 2.749 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cc(O)cc(F)c1 ZINC000925631188 618358588 /nfs/dbraw/zinc/35/85/88/618358588.db2.gz GCSQJJMWLKYMJD-NSHDSACASA-N 0 3 253.317 2.775 20 30 CFEDHN CC(C)(C)OC(=O)N1CC(CNCC2(C#N)CCCC2)C1 ZINC000895134288 618361012 /nfs/dbraw/zinc/36/10/12/618361012.db2.gz ZMLQJYOLFNJSMQ-UHFFFAOYSA-N 0 3 293.411 2.527 20 30 CFEDHN C=C(Br)CN[C@@H]1C[C@H](OCC)C12CCC2 ZINC000162549075 618373254 /nfs/dbraw/zinc/37/32/54/618373254.db2.gz DQJQCJQZRYRNSE-MNOVXSKESA-N 0 3 274.202 2.832 20 30 CFEDHN C[C@@]1(Br)C[C@H]1CNCC1(C#N)CCCC1 ZINC000895140808 618373215 /nfs/dbraw/zinc/37/32/15/618373215.db2.gz HBRUOTVEMORHOE-WDEREUQCSA-N 0 3 271.202 2.833 20 30 CFEDHN C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895159813 618407096 /nfs/dbraw/zinc/40/70/96/618407096.db2.gz IMVZKKMRVKQWHU-COPLHBTASA-N 0 3 296.798 2.802 20 30 CFEDHN CCC[C@H](C[NH2+][C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000895163436 618412763 /nfs/dbraw/zinc/41/27/63/618412763.db2.gz UMPLIVZGLMLGRA-HUUCEWRRSA-N 0 3 276.380 2.540 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000892559049 618632960 /nfs/dbraw/zinc/63/29/60/618632960.db2.gz IAMDOIVRPCXWOH-SNVBAGLBSA-N 0 3 294.380 2.814 20 30 CFEDHN C=C1CCC(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000892684466 618708127 /nfs/dbraw/zinc/70/81/27/618708127.db2.gz RENHIJSWMDVEDF-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC2CC2)C(C)C)CC1 ZINC000892851934 618757414 /nfs/dbraw/zinc/75/74/14/618757414.db2.gz SNJMKYYHJLNRIL-UHFFFAOYSA-N 0 3 293.455 2.857 20 30 CFEDHN COCCOC[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000893194887 618876869 /nfs/dbraw/zinc/87/68/69/618876869.db2.gz NMYYHMKSKKJGRO-GOEBONIOSA-N 0 3 276.380 2.673 20 30 CFEDHN C[C@@H](C[C@@H](O)c1ccco1)NCC#Cc1ccccc1 ZINC000893267927 618918353 /nfs/dbraw/zinc/91/83/53/618918353.db2.gz YHOIXLNQQSLUSG-GOEBONIOSA-N 0 3 269.344 2.733 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009608194 619003374 /nfs/dbraw/zinc/00/33/74/619003374.db2.gz FHSATGNSIMSRGC-UPTPFMHGSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCCCN(CC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000893536633 619042946 /nfs/dbraw/zinc/04/29/46/619042946.db2.gz LLGFXWYLUAXENE-ZIAGYGMSSA-N 0 3 279.428 2.609 20 30 CFEDHN N#CC1(CCCCN2CCc3ncncc3C2)CCC1 ZINC000931706129 619100412 /nfs/dbraw/zinc/10/04/12/619100412.db2.gz DEQIGJVDVGPONS-UHFFFAOYSA-N 0 3 270.380 2.699 20 30 CFEDHN Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848457 619106928 /nfs/dbraw/zinc/10/69/28/619106928.db2.gz XLMFOZLEWXXHAB-HZPDHXFCSA-N 0 3 299.418 2.750 20 30 CFEDHN CO[C@](C)(C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000106983763 619127258 /nfs/dbraw/zinc/12/72/58/619127258.db2.gz BMFSKGOWFILHTK-YOEHRIQHSA-N 0 3 280.327 2.820 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(N)ncc1Cl ZINC000893660328 619148656 /nfs/dbraw/zinc/14/86/56/619148656.db2.gz XUIQPPCOLUCCBK-RNCFNFMXSA-N 0 3 267.760 2.710 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001010366459 619153028 /nfs/dbraw/zinc/15/30/28/619153028.db2.gz LHHAETKHYJVFOK-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CC[C@H](CC)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894234660 619273919 /nfs/dbraw/zinc/27/39/19/619273919.db2.gz WOIRRFXXPAWMAH-NSHDSACASA-N 0 3 280.324 2.753 20 30 CFEDHN N#CC(C(=O)C[C@@H]1C=CCC1)C(=O)NC1CCCCC1 ZINC000048541053 619353765 /nfs/dbraw/zinc/35/37/65/619353765.db2.gz BLIMKADJBXKBFZ-OCCSQVGLSA-N 0 3 274.364 2.500 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1cn(CC)nn1 ZINC000894924662 619514140 /nfs/dbraw/zinc/51/41/40/619514140.db2.gz XTSOIXHQGAZVTO-HNNXBMFYSA-N 0 3 270.380 2.575 20 30 CFEDHN C[C@@H]1[C@@H](Nc2ncc(C#N)c3ccsc32)CCN1C ZINC000895736504 619597245 /nfs/dbraw/zinc/59/72/45/619597245.db2.gz JUILDARGBQQIOJ-SKDRFNHKSA-N 0 3 272.377 2.672 20 30 CFEDHN CC1(C)CO[C@H](CCNCc2cccc(F)c2C#N)C1 ZINC000895802551 619611690 /nfs/dbraw/zinc/61/16/90/619611690.db2.gz LVQUGKCPYRVHKT-CYBMUJFWSA-N 0 3 276.355 2.992 20 30 CFEDHN CC1(C)CO[C@@H](CCNCc2cc(C#N)cnc2Cl)C1 ZINC000895802783 619611710 /nfs/dbraw/zinc/61/17/10/619611710.db2.gz PFUODNICUUGJEM-ZDUSSCGKSA-N 0 3 293.798 2.901 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000895931629 619638166 /nfs/dbraw/zinc/63/81/66/619638166.db2.gz QHEQJYHCOQFVQL-IKGGRYGDSA-N 0 3 255.361 2.585 20 30 CFEDHN C#C[C@H]1CC[C@H](NCc2ccsc2C(=O)OC)CC1 ZINC000895953140 619643218 /nfs/dbraw/zinc/64/32/18/619643218.db2.gz LYSHAJRRJKJPHC-AULYBMBSSA-N 0 3 277.389 2.816 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@H]1CCC2(CCOCC2)CO1 ZINC000895997372 619650298 /nfs/dbraw/zinc/65/02/98/619650298.db2.gz HOWCNJFGKUPREW-GOSISDBHSA-N 0 3 299.414 2.604 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1CCC2(CCOCC2)CO1 ZINC000895997373 619650446 /nfs/dbraw/zinc/65/04/46/619650446.db2.gz HOWCNJFGKUPREW-SFHVURJKSA-N 0 3 299.414 2.604 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000896096258 619672970 /nfs/dbraw/zinc/67/29/70/619672970.db2.gz ZLCNIPIQUVILGH-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cc(O)ccc1F ZINC000883392114 619718994 /nfs/dbraw/zinc/71/89/94/619718994.db2.gz AOUODXLQSSOEPC-WDEREUQCSA-N 0 3 253.317 2.509 20 30 CFEDHN CC#CCN(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000897167463 619942455 /nfs/dbraw/zinc/94/24/55/619942455.db2.gz LVIUZWGWVPLKFA-MRXNPFEDSA-N 0 3 280.412 2.589 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@@H](OC)C2)cc1 ZINC000091772623 620011742 /nfs/dbraw/zinc/01/17/42/620011742.db2.gz NLQYFISURZZELG-QGZVFWFLSA-N 0 3 273.376 2.700 20 30 CFEDHN CC1(C)CC[C@@H](CCNCc2ccc(C#N)o2)OC1 ZINC000897477523 620183446 /nfs/dbraw/zinc/18/34/46/620183446.db2.gz AQTKAOSLSDYBMV-LBPRGKRZSA-N 0 3 262.353 2.836 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000925286239 620192769 /nfs/dbraw/zinc/19/27/69/620192769.db2.gz NLNLTYGKJMFBPR-UKRRQHHQSA-N 0 3 285.391 2.710 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cscc2C(F)F)C1 ZINC000988851370 620225944 /nfs/dbraw/zinc/22/59/44/620225944.db2.gz PIHPNDHZQBXWHL-VHSXEESVSA-N 0 3 298.358 2.512 20 30 CFEDHN COc1cccc2c1CC[C@H](NCc1nc(C#N)cs1)C2 ZINC000897628124 620263484 /nfs/dbraw/zinc/26/34/84/620263484.db2.gz CVYUYGFAPZKUAK-LBPRGKRZSA-N 0 3 299.399 2.670 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000898165808 620341561 /nfs/dbraw/zinc/34/15/61/620341561.db2.gz NKANJUBCNAHOSJ-KGLIPLIRSA-N 0 3 290.363 2.751 20 30 CFEDHN C=CCCCN(CC)Cc1cc2c(cn1)OCCO2 ZINC000898244405 620356207 /nfs/dbraw/zinc/35/62/07/620356207.db2.gz JKXMCUAMCHUENH-UHFFFAOYSA-N 0 3 262.353 2.641 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925321070 620379433 /nfs/dbraw/zinc/37/94/33/620379433.db2.gz OGTGQPZERFEUIZ-JSGCOSHPSA-N 0 3 293.436 2.538 20 30 CFEDHN C#CCCN1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000989772916 620391446 /nfs/dbraw/zinc/39/14/46/620391446.db2.gz KIQKCPKDNJMMDR-SJORKVTESA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC000989866903 620396030 /nfs/dbraw/zinc/39/60/30/620396030.db2.gz LDPIZQMPUMMNOI-RDTXWAMCSA-N 0 3 298.430 2.637 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989919895 620402960 /nfs/dbraw/zinc/40/29/60/620402960.db2.gz VWXGIBIZEQPWAH-WBVHZDCISA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3C)CCC[C@H]12 ZINC000989940347 620403832 /nfs/dbraw/zinc/40/38/32/620403832.db2.gz SRWDGOSXXKEXIS-HOCLYGCPSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(Cl)o3)CCC[C@H]12 ZINC000989958154 620406522 /nfs/dbraw/zinc/40/65/22/620406522.db2.gz QIPWFPUVSUCJFZ-WFASDCNBSA-N 0 3 294.782 2.846 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(Cl)o3)CCC[C@@H]12 ZINC000989958152 620406717 /nfs/dbraw/zinc/40/67/17/620406717.db2.gz QIPWFPUVSUCJFZ-IUODEOHRSA-N 0 3 294.782 2.846 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@H]12 ZINC000990250431 620413118 /nfs/dbraw/zinc/41/31/18/620413118.db2.gz JUKNYZLTBLQABR-RDJZCZTQSA-N 0 3 288.391 2.809 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3coc(C)c3)CCC[C@@H]12 ZINC000990418794 620419844 /nfs/dbraw/zinc/41/98/44/620419844.db2.gz MVMOIGKUYFQLIP-ZBFHGGJFSA-N 0 3 274.364 2.501 20 30 CFEDHN Cn1nc(C(F)(F)F)cc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000926926620 620425455 /nfs/dbraw/zinc/42/54/55/620425455.db2.gz CEFGQXLKCXKUBS-ZJUUUORDSA-N 0 3 286.301 2.611 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCC(=O)N(C)Cc1ccccc1 ZINC000924719433 620452964 /nfs/dbraw/zinc/45/29/64/620452964.db2.gz VCGCHPWZSMVKHN-AWEZNQCLSA-N 0 3 287.407 2.563 20 30 CFEDHN C=CC(C)(C)NCc1cc(F)c(OC)cc1OC ZINC000898460403 620466775 /nfs/dbraw/zinc/46/67/75/620466775.db2.gz KSISAWRFBSLYRF-UHFFFAOYSA-N 0 3 253.317 2.897 20 30 CFEDHN C=C1CCC(CN[C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000901573169 620866898 /nfs/dbraw/zinc/86/68/98/620866898.db2.gz QCVMCJPGEXRALG-HNNXBMFYSA-N 0 3 276.355 2.688 20 30 CFEDHN CC1(C)C[C@H](CNC[C@H](C#N)CCC#N)C(C)(C)O1 ZINC000901624807 620874795 /nfs/dbraw/zinc/87/47/95/620874795.db2.gz RAYJNVXBKNGQEB-QWHCGFSZSA-N 0 3 263.385 2.613 20 30 CFEDHN C=C(C)C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C(=O)[O-] ZINC000901680667 620892046 /nfs/dbraw/zinc/89/20/46/620892046.db2.gz ZPDOINIXHCRSAO-MRXNPFEDSA-N 0 3 294.439 2.793 20 30 CFEDHN C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1cc(C#N)ccn1 ZINC000902724875 621158129 /nfs/dbraw/zinc/15/81/29/621158129.db2.gz KYHPDNZDTDJEOB-RDTXWAMCSA-N 0 3 294.402 2.907 20 30 CFEDHN Cc1cccc(OCCN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902766783 621169082 /nfs/dbraw/zinc/16/90/82/621169082.db2.gz RNCUUONOGZNJGX-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN C[C@@H](NCC1(O)CCCCCC1)c1cc(C#N)ccn1 ZINC000902808746 621175558 /nfs/dbraw/zinc/17/55/58/621175558.db2.gz MNUCBWPHKQVIQN-CYBMUJFWSA-N 0 3 273.380 2.689 20 30 CFEDHN CCCC[C@@H](COC)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902808073 621175708 /nfs/dbraw/zinc/17/57/08/621175708.db2.gz BNXBXBALOLREKI-JSGCOSHPSA-N 0 3 261.369 2.809 20 30 CFEDHN C[C@@H](NC[C@H](O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902789233 621177301 /nfs/dbraw/zinc/17/73/01/621177301.db2.gz IEXGLCDIQUTYTH-WBMJQRKESA-N 0 3 273.380 2.545 20 30 CFEDHN CC[C@@H](NCc1cc(C)[nH]n1)c1cccc(C#N)c1 ZINC000902810005 621183892 /nfs/dbraw/zinc/18/38/92/621183892.db2.gz YXAZRQBWRAMQLH-OAHLLOKOSA-N 0 3 254.337 2.831 20 30 CFEDHN CC[C@H](NCc1cc(C)[nH]n1)c1cccc(C#N)c1 ZINC000902810004 621184155 /nfs/dbraw/zinc/18/41/55/621184155.db2.gz YXAZRQBWRAMQLH-HNNXBMFYSA-N 0 3 254.337 2.831 20 30 CFEDHN C[C@H](NC[C@@]1(C)CCCC[C@H]1O)c1cc(C#N)ccn1 ZINC000902832166 621187109 /nfs/dbraw/zinc/18/71/09/621187109.db2.gz RTMBDOHGJBJKDO-APHBMKBZSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@H](NC[C@](C)(O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902889051 621200598 /nfs/dbraw/zinc/20/05/98/621200598.db2.gz ACRPEJFLJAOMKS-SJCJKPOMSA-N 0 3 299.349 2.651 20 30 CFEDHN C=CCC[C@H](NCc1ccn(C)n1)[C@@]1(C)CCCCO1 ZINC000902891432 621200746 /nfs/dbraw/zinc/20/07/46/621200746.db2.gz SBFJIGWJBHTURT-JKSUJKDBSA-N 0 3 277.412 2.804 20 30 CFEDHN CC[C@@H](NCc1cncn1C)c1cccc(C#N)c1 ZINC000902992715 621219012 /nfs/dbraw/zinc/21/90/12/621219012.db2.gz LFEACENDDZBAQL-OAHLLOKOSA-N 0 3 254.337 2.533 20 30 CFEDHN CC[C@H](N[C@H](CO)CC(F)F)c1cccc(C#N)c1 ZINC000902972219 621220912 /nfs/dbraw/zinc/22/09/12/621220912.db2.gz BSRXIENNHMWNSP-STQMWFEESA-N 0 3 268.307 2.615 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc(C#N)ccn1 ZINC000903041265 621232376 /nfs/dbraw/zinc/23/23/76/621232376.db2.gz ICAUMWSPAUPIPF-NJZAAPMLSA-N 0 3 259.353 2.561 20 30 CFEDHN CO[C@@](C)([C@@H](C)N[C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903020364 621232992 /nfs/dbraw/zinc/23/29/92/621232992.db2.gz YITIBTWJMNKDAV-HSMVNMDESA-N 0 3 273.380 2.807 20 30 CFEDHN CCSC1(CN[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903054617 621234928 /nfs/dbraw/zinc/23/49/28/621234928.db2.gz NBPAYQSEXLPNCY-NSHDSACASA-N 0 3 261.394 2.890 20 30 CFEDHN C[C@@H](NCC1(O)CCC(C)(C)CC1)c1cc(C#N)ccn1 ZINC000903053570 621243408 /nfs/dbraw/zinc/24/34/08/621243408.db2.gz BTEAXAGZBJTNSI-CYBMUJFWSA-N 0 3 287.407 2.935 20 30 CFEDHN CC[C@@H](NCc1ccc[nH]c1=O)c1cccc(C#N)c1 ZINC000903071665 621250327 /nfs/dbraw/zinc/25/03/27/621250327.db2.gz JLTDYKXISYZGJB-OAHLLOKOSA-N 0 3 267.332 2.900 20 30 CFEDHN CCN1CCC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000903392860 621352031 /nfs/dbraw/zinc/35/20/31/621352031.db2.gz ZQXLMOGPUUEOFB-IAGOWNOFSA-N 0 3 297.402 2.536 20 30 CFEDHN CC[C@H](N[C@H]1CCCN(CC)C1=O)c1ccc(C#N)cc1 ZINC000903387673 621358783 /nfs/dbraw/zinc/35/87/83/621358783.db2.gz IDYYPSQXXJFXNG-HOTGVXAUSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@H](N[C@H]1CCOC12CCCC2)c1cc(C#N)ccn1 ZINC000903387537 621359089 /nfs/dbraw/zinc/35/90/89/621359089.db2.gz HXUSMWUQGBPSEE-WFASDCNBSA-N 0 3 271.364 2.706 20 30 CFEDHN CCCCN([O-])C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000904208937 621544807 /nfs/dbraw/zinc/54/48/07/621544807.db2.gz MZBFIVLXKYHVOV-UHFFFAOYSA-N 0 3 290.407 2.917 20 30 CFEDHN CCCOc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905081843 621691362 /nfs/dbraw/zinc/69/13/62/621691362.db2.gz TXYLRBFCSJCSHE-LUHPIMIVSA-N 0 3 283.331 2.908 20 30 CFEDHN CCc1ccc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905081588 621691777 /nfs/dbraw/zinc/69/17/77/621691777.db2.gz RYJSIUSVLBEIDW-JMUHATKESA-N 0 3 259.334 2.743 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905084193 621691897 /nfs/dbraw/zinc/69/18/97/621691897.db2.gz HVJSJAOLXLHWNK-HAAVITCDSA-N 0 3 298.302 2.644 20 30 CFEDHN CC1/C(=C\c2ccc(OCC3CC3)cc2)C(=O)c2ncnn21 ZINC000905085114 621692561 /nfs/dbraw/zinc/69/25/61/621692561.db2.gz MLTNCHRFBRBJMI-OXFWXOROSA-N 0 3 295.342 2.908 20 30 CFEDHN Cc1scc(/C=C2\C(=O)c3ncnn3C2C)c1C ZINC000905086927 621692992 /nfs/dbraw/zinc/69/29/92/621692992.db2.gz ULPNLIQIAVLSDA-UMWYPWBCSA-N 0 3 259.334 2.797 20 30 CFEDHN CC[C@@](O)(CN[C@@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000905236053 621731765 /nfs/dbraw/zinc/73/17/65/621731765.db2.gz DHOLNPWLQSLQDQ-ZIAGYGMSSA-N 0 3 298.308 2.839 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2cscc2Cl)CC1 ZINC000905457878 621777152 /nfs/dbraw/zinc/77/71/52/621777152.db2.gz IJEAHDHEUZWVSV-SNVBAGLBSA-N 0 3 270.785 2.546 20 30 CFEDHN Cc1cc(N=NC2CCN(CCO)CC2)ccc1Cl ZINC000905510080 621783519 /nfs/dbraw/zinc/78/35/19/621783519.db2.gz QQVSQXZMMDQTEL-UHFFFAOYSA-N 0 3 281.787 2.504 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@]12CCC[C@@H]1N(CC=C)CC2 ZINC000991065488 621803620 /nfs/dbraw/zinc/80/36/20/621803620.db2.gz FNRXDMGGUHVOBV-WMZOPIPTSA-N 0 3 299.418 2.587 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CCCC1(F)F ZINC000905779875 621846738 /nfs/dbraw/zinc/84/67/38/621846738.db2.gz DUQRNFLPDOYSAN-RYUDHWBXSA-N 0 3 255.312 2.845 20 30 CFEDHN CC(C)(C)[C@H](N)c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905815136 621875144 /nfs/dbraw/zinc/87/51/44/621875144.db2.gz GHXRVDRYFRRRQG-ORHYLEIMSA-N 0 3 275.400 2.654 20 30 CFEDHN CCC[C@@H](N)c1cn(Cc2c(C)cc(C#N)cc2C)nn1 ZINC000905827147 621878084 /nfs/dbraw/zinc/87/80/84/621878084.db2.gz GYVGCJWSVKSGTK-OAHLLOKOSA-N 0 3 283.379 2.615 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819730316 622548772 /nfs/dbraw/zinc/54/87/72/622548772.db2.gz VPSJEMCBKNZDRR-NEPJUHHUSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819730316 622548778 /nfs/dbraw/zinc/54/87/78/622548778.db2.gz VPSJEMCBKNZDRR-NEPJUHHUSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(Cl)c1 ZINC000911905053 622579853 /nfs/dbraw/zinc/57/98/53/622579853.db2.gz XKTMZSRNCNAVCZ-GFCCVEGCSA-N 0 3 252.745 2.962 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(Cl)ccc1OC ZINC000911910597 622581537 /nfs/dbraw/zinc/58/15/37/622581537.db2.gz HHEDGGYMVXLUJY-LLVKDONJSA-N 0 3 282.771 2.971 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)cc1F ZINC000911948945 622587025 /nfs/dbraw/zinc/58/70/25/622587025.db2.gz UFDFBTPOQOGFCQ-LBPRGKRZSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1OCC ZINC000911952481 622588990 /nfs/dbraw/zinc/58/89/90/622588990.db2.gz QOBAZJSTBZMIOW-GFCCVEGCSA-N 0 3 262.353 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1F ZINC000911929727 622589467 /nfs/dbraw/zinc/58/94/67/622589467.db2.gz NMFODALDIJRPPR-NSHDSACASA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(F)c1 ZINC000911937586 622591697 /nfs/dbraw/zinc/59/16/97/622591697.db2.gz SOUNJQUEACUUAS-ZDUSSCGKSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC1CCCCCCC1 ZINC000911940209 622593834 /nfs/dbraw/zinc/59/38/34/622593834.db2.gz FWJKTPGDMRFFNR-CQSZACIVSA-N 0 3 252.402 2.899 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC)C1CCCCC1 ZINC000911940015 622594362 /nfs/dbraw/zinc/59/43/62/622594362.db2.gz AHOCLDUMLDTQRO-CQSZACIVSA-N 0 3 252.402 2.851 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000911956547 622596012 /nfs/dbraw/zinc/59/60/12/622596012.db2.gz NCSUOSJHJRPJNK-NSHDSACASA-N 0 3 277.324 2.525 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(C)cc1 ZINC000912006639 622607152 /nfs/dbraw/zinc/60/71/52/622607152.db2.gz AJNMKQHCQFAGST-OAHLLOKOSA-N 0 3 260.381 2.637 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccccc1Cl ZINC000912020131 622612229 /nfs/dbraw/zinc/61/22/29/622612229.db2.gz RAXBTPNVZXHIQB-AWEZNQCLSA-N 0 3 280.799 2.982 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000912172183 622656340 /nfs/dbraw/zinc/65/63/40/622656340.db2.gz SJHYGSOWRLHSNI-OCCSQVGLSA-N 0 3 278.421 2.999 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000912263118 622668294 /nfs/dbraw/zinc/66/82/94/622668294.db2.gz JJAMDRZSFMKLFU-NSHDSACASA-N 0 3 272.270 2.726 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@H](C)c1cccs1 ZINC000912465889 622715636 /nfs/dbraw/zinc/71/56/36/622715636.db2.gz ZXMISJNUGZJNKT-NEPJUHHUSA-N 0 3 266.410 2.951 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000912443387 622716115 /nfs/dbraw/zinc/71/61/15/622716115.db2.gz ZHAFOKIGBTVYQO-CQSZACIVSA-N 0 3 285.347 2.964 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913096449 622834064 /nfs/dbraw/zinc/83/40/64/622834064.db2.gz ARSRFWRDCIWZOL-AEFFLSMTSA-N 0 3 298.430 2.817 20 30 CFEDHN C#CCSCCN[C@@H](CC)c1ccc(F)cn1 ZINC000226619208 623085041 /nfs/dbraw/zinc/08/50/41/623085041.db2.gz FYDQXPNBIUYJSX-LBPRGKRZSA-N 0 3 252.358 2.628 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(CC)s2)CC1 ZINC000171723297 623239986 /nfs/dbraw/zinc/23/99/86/623239986.db2.gz IOGKYKCTUWDGKO-UHFFFAOYSA-N 0 3 278.421 2.691 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000823499729 623335276 /nfs/dbraw/zinc/33/52/76/623335276.db2.gz NZYBEQCNLMKTEA-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966439 623378285 /nfs/dbraw/zinc/37/82/85/623378285.db2.gz RBBWEMOZPMFRKS-DGCLKSJQSA-N 0 3 258.321 2.770 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992119617 623459804 /nfs/dbraw/zinc/45/98/04/623459804.db2.gz OORRVFORBNBURQ-DOTOQJQBSA-N 0 3 288.391 2.891 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992158676 623473952 /nfs/dbraw/zinc/47/39/52/623473952.db2.gz DTLPEKOZGQDNAS-RVKKMQEKSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@H]12 ZINC000992184029 623479188 /nfs/dbraw/zinc/47/91/88/623479188.db2.gz CAVXGUSKVXMHAK-WFASDCNBSA-N 0 3 293.798 2.581 20 30 CFEDHN C[C@@H]1C[C@@H](CNCCC#N)CCN1C(=O)OC(C)(C)C ZINC000824302433 623487631 /nfs/dbraw/zinc/48/76/31/623487631.db2.gz VNGMHLFQKWCHFO-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@H]12 ZINC000992338070 623520419 /nfs/dbraw/zinc/52/04/19/623520419.db2.gz KTOOUZGFZKFVDE-DFGXFYAUSA-N 0 3 288.435 2.722 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015163327 623527521 /nfs/dbraw/zinc/52/75/21/623527521.db2.gz DIOAABQHSSMOBI-LBPRGKRZSA-N 0 3 296.773 2.859 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccnc(Cl)c1Cl ZINC000825168772 623643079 /nfs/dbraw/zinc/64/30/79/623643079.db2.gz OBRWAOWXAJGJSQ-SNVBAGLBSA-N 0 3 275.179 2.805 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000825697260 623742622 /nfs/dbraw/zinc/74/26/22/623742622.db2.gz GOXJCSSQUHFFNB-SFHVURJKSA-N 0 3 298.430 2.989 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2csc3ccccc23)C1 ZINC001015428793 623802658 /nfs/dbraw/zinc/80/26/58/623802658.db2.gz CVGPCWUTJMRAPN-CYBMUJFWSA-N 0 3 298.411 2.729 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC000993011725 623842299 /nfs/dbraw/zinc/84/22/99/623842299.db2.gz GTBQSHAYWULMMY-OLZOCXBDSA-N 0 3 278.421 2.907 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)nc2)[C@H]1C ZINC000993073390 623890608 /nfs/dbraw/zinc/89/06/08/623890608.db2.gz QKRJWLVFIUCBSS-ZBFHGGJFSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cccnc1Cl ZINC000834904862 623903264 /nfs/dbraw/zinc/90/32/64/623903264.db2.gz SIVKQTFHCYOHRQ-WDEREUQCSA-N 0 3 254.761 2.713 20 30 CFEDHN CCOC(=O)C(C)(C)ON=C(C)CN1CCCCCC1 ZINC000835006835 623931006 /nfs/dbraw/zinc/93/10/06/623931006.db2.gz ZJQFILGNPLRARZ-UHFFFAOYSA-N 0 3 284.400 2.597 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CCC2)[C@H]1C ZINC000993125210 623931748 /nfs/dbraw/zinc/93/17/48/623931748.db2.gz BEQLGJBEKITLHG-UKRRQHHQSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993126714 623934914 /nfs/dbraw/zinc/93/49/14/623934914.db2.gz KXIWXOYYBYZZLS-AAEUAGOBSA-N 0 3 293.436 2.610 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000827185689 623961959 /nfs/dbraw/zinc/96/19/59/623961959.db2.gz XGHOVBMUYIMIFC-CQSZACIVSA-N 0 3 286.375 2.756 20 30 CFEDHN C#C[C@@H](NCc1ccccc1OCC1CC1)C1CCOCC1 ZINC000827570787 624035926 /nfs/dbraw/zinc/03/59/26/624035926.db2.gz QSYKCWFYCXSAFF-GOSISDBHSA-N 0 3 299.414 2.993 20 30 CFEDHN C#C[C@H](NCc1cc2ccccc2o1)C1CCOCC1 ZINC000827570868 624036418 /nfs/dbraw/zinc/03/64/18/624036418.db2.gz SSUHPCHOHYTBKR-INIZCTEOSA-N 0 3 269.344 2.951 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000993212424 624038789 /nfs/dbraw/zinc/03/87/89/624038789.db2.gz ZLEMKHRLDYSMLL-DZGCQCFKSA-N 0 3 288.391 2.502 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2cc(Cl)cnc2o1 ZINC000827826422 624103771 /nfs/dbraw/zinc/10/37/71/624103771.db2.gz FZWYFHRLXLJHRI-UHFFFAOYSA-N 0 3 292.766 2.953 20 30 CFEDHN CC(C)CN(CCC#N)CCN(C)Cc1ccccc1 ZINC000827873089 624116579 /nfs/dbraw/zinc/11/65/79/624116579.db2.gz NMOLKCONEAFBOM-UHFFFAOYSA-N 0 3 273.424 2.990 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993353222 624120155 /nfs/dbraw/zinc/12/01/55/624120155.db2.gz XWEFCECPTNBUKU-UKRRQHHQSA-N 0 3 262.397 2.642 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993557269 624152085 /nfs/dbraw/zinc/15/20/85/624152085.db2.gz OFHFCJNRRDLLFJ-WBVHZDCISA-N 0 3 286.419 2.693 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993679789 624157811 /nfs/dbraw/zinc/15/78/11/624157811.db2.gz YGPBYAIUPZZYHO-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993742979 624164359 /nfs/dbraw/zinc/16/43/59/624164359.db2.gz OSFSNPUZVJIDGB-DOTOQJQBSA-N 0 3 288.435 2.725 20 30 CFEDHN CCCCNN=C(C)c1cccc(N2CCOCC2)c1 ZINC000915966289 624194642 /nfs/dbraw/zinc/19/46/42/624194642.db2.gz OPNWYNWSYUGHBE-UHFFFAOYSA-N 0 3 275.396 2.637 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C)[C@H]1C ZINC000994255141 624243336 /nfs/dbraw/zinc/24/33/36/624243336.db2.gz BGAOVEXKWHOERV-OLZOCXBDSA-N 0 3 252.402 2.578 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994257290 624245614 /nfs/dbraw/zinc/24/56/14/624245614.db2.gz ZFVANKLLSIGDFB-LUKYLMHMSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2F)[C@@H]1C ZINC000994333558 624276080 /nfs/dbraw/zinc/27/60/80/624276080.db2.gz WVCACMKCUNVXPI-XJKSGUPXSA-N 0 3 290.382 2.523 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)Cc2ccccc2F)[C@@H]1C ZINC000994333554 624276254 /nfs/dbraw/zinc/27/62/54/624276254.db2.gz WVCACMKCUNVXPI-BBRMVZONSA-N 0 3 290.382 2.523 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCC(C)C)c1 ZINC000916893721 624291038 /nfs/dbraw/zinc/29/10/38/624291038.db2.gz GTADXCJDNRBXCS-CQSZACIVSA-N 0 3 288.347 2.779 20 30 CFEDHN CCCCCCCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000918395298 624434214 /nfs/dbraw/zinc/43/42/14/624434214.db2.gz NKUFPZOVQSYQLT-CQSZACIVSA-N 0 3 254.418 2.947 20 30 CFEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000829778613 624532832 /nfs/dbraw/zinc/53/28/32/624532832.db2.gz FIPDKNYXQMLJAG-MLGOLLRUSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000766902534 624555072 /nfs/dbraw/zinc/55/50/72/624555072.db2.gz KEOSKWHFQBCSDR-UHFFFAOYSA-N 0 3 280.412 2.731 20 30 CFEDHN C#CCCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000920416229 624720695 /nfs/dbraw/zinc/72/06/95/624720695.db2.gz XPSJKDQWJAHHED-OAHLLOKOSA-N 0 3 259.349 2.864 20 30 CFEDHN C=CCN(CC=C)CCC(=O)OCc1ccccc1 ZINC000181432366 625136001 /nfs/dbraw/zinc/13/60/01/625136001.db2.gz CEEGVEJULQIGDV-UHFFFAOYSA-N 0 3 259.349 2.794 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)CCc1ccco1 ZINC000069911053 625243772 /nfs/dbraw/zinc/24/37/72/625243772.db2.gz KHPCSEDJZFTPRW-CQSZACIVSA-N 0 3 290.363 2.618 20 30 CFEDHN C#CCCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000832303589 625269676 /nfs/dbraw/zinc/26/96/76/625269676.db2.gz JOVZXSMIUXNVQK-ZDUSSCGKSA-N 0 3 272.175 2.814 20 30 CFEDHN N#Cc1cc(CNCCN2CCc3ccccc3C2)cs1 ZINC000921504583 625787445 /nfs/dbraw/zinc/78/74/45/625787445.db2.gz UVGVDTUCKNUUBW-UHFFFAOYSA-N 0 3 297.427 2.768 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cccnc1Cl ZINC000834904861 625917297 /nfs/dbraw/zinc/91/72/97/625917297.db2.gz SIVKQTFHCYOHRQ-QWRGUYRKSA-N 0 3 254.761 2.713 20 30 CFEDHN C[C@@H](C#N)CNN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834965786 625936278 /nfs/dbraw/zinc/93/62/78/625936278.db2.gz VESSCYORIJYLMH-VWMHVZRVSA-N 0 3 256.353 2.501 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NN[C@@H]2CCCOC2)cc1 ZINC000834971619 625938449 /nfs/dbraw/zinc/93/84/49/625938449.db2.gz GARDQJMPCLOQHY-UPVYUQPKSA-N 0 3 273.380 2.520 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NOC[C@@H]2CCOC2)cc1 ZINC000834973094 625939595 /nfs/dbraw/zinc/93/95/95/625939595.db2.gz LQGONFIMZMTYLW-RKPYUUKPSA-N 0 3 274.364 2.805 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2ccsc2C)CC1 ZINC000997066342 625960522 /nfs/dbraw/zinc/96/05/22/625960522.db2.gz CJJUQOWBBZBSQY-GFCCVEGCSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)c2csc(C)c2)CC1 ZINC000997345374 625987435 /nfs/dbraw/zinc/98/74/35/625987435.db2.gz MHJULNPATKOSTP-CYBMUJFWSA-N 0 3 290.432 2.520 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997964241 626025471 /nfs/dbraw/zinc/02/54/71/626025471.db2.gz CMGPVCZHMSXPDO-OFLPRAFFSA-N 0 3 290.451 2.759 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000997983875 626025665 /nfs/dbraw/zinc/02/56/65/626025665.db2.gz VWHKCXCRVKRWMX-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H]2CCC=CCCC2)CC1 ZINC000890052015 626032972 /nfs/dbraw/zinc/03/29/72/626032972.db2.gz ZIGFIGRFAPDJLE-INIZCTEOSA-N 0 3 288.435 2.584 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)/C(C)=C/C)CC[C@H]1C(F)(F)F ZINC000998247459 626037948 /nfs/dbraw/zinc/03/79/48/626037948.db2.gz DKAHKKNQLNRFDB-VDUSXYPOSA-N 0 3 290.329 2.508 20 30 CFEDHN C=CCN[C@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000998303156 626041139 /nfs/dbraw/zinc/04/11/39/626041139.db2.gz KUGAIVBGTFDJCG-QWRGUYRKSA-N 0 3 292.345 2.588 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C)=C2CCC2)C1 ZINC000998751401 626060641 /nfs/dbraw/zinc/06/06/41/626060641.db2.gz OOMTURTWVKHPQH-UHFFFAOYSA-N 0 3 282.815 2.818 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC000998984270 626064353 /nfs/dbraw/zinc/06/43/53/626064353.db2.gz RJCGUHNKPLZXKU-RUXDESIVSA-N 0 3 296.842 2.898 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC000999248107 626069752 /nfs/dbraw/zinc/06/97/52/626069752.db2.gz OFXXJBOISPCIER-SSDMNJCBSA-N 0 3 282.815 2.674 20 30 CFEDHN C=CCSCCNCc1ccc(C(=O)OC)cc1F ZINC000921689533 626087291 /nfs/dbraw/zinc/08/72/91/626087291.db2.gz SLWSMQBKAZUDNN-UHFFFAOYSA-N 0 3 283.368 2.621 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC[C@@H](NCc3ccccn3)C2)C1 ZINC001000129673 626089296 /nfs/dbraw/zinc/08/92/96/626089296.db2.gz YTKKEUBJFRJIPK-MRXNPFEDSA-N 0 3 299.418 2.519 20 30 CFEDHN Cc1noc(C)c1C[C@H](C)NCc1csc(C#N)c1 ZINC000921761161 626109949 /nfs/dbraw/zinc/10/99/49/626109949.db2.gz COBKSQVKRSMGJH-VIFPVBQESA-N 0 3 275.377 2.945 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(C)sc2C)CC1 ZINC001000914763 626134598 /nfs/dbraw/zinc/13/45/98/626134598.db2.gz ODBQNBBPRKGUHO-UHFFFAOYSA-N 0 3 290.432 2.913 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001001003012 626139266 /nfs/dbraw/zinc/13/92/66/626139266.db2.gz YQMVCGLPYKKBHA-AWEZNQCLSA-N 0 3 298.377 2.746 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001001056074 626141847 /nfs/dbraw/zinc/14/18/47/626141847.db2.gz LUITUGZMUPSYEU-OAHLLOKOSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001001324870 626154895 /nfs/dbraw/zinc/15/48/95/626154895.db2.gz IOHOAASGBVNRDA-SJLPKXTDSA-N 0 3 290.451 2.993 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001001775749 626162725 /nfs/dbraw/zinc/16/27/25/626162725.db2.gz DLZJEHOLUNKKKI-DOTOQJQBSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001001796098 626163765 /nfs/dbraw/zinc/16/37/65/626163765.db2.gz BAIGBAQDLAURFD-IRXDYDNUSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(C)COCCNCc1nccc2c1CCCC2 ZINC000921848357 626164348 /nfs/dbraw/zinc/16/43/48/626164348.db2.gz LYCJVKSKDLPHHA-UHFFFAOYSA-N 0 3 260.381 2.643 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C2CCC=CCC2)CC1 ZINC001002134476 626167461 /nfs/dbraw/zinc/16/74/61/626167461.db2.gz YIGXDAJRLOLFNW-UHFFFAOYSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001002159162 626167731 /nfs/dbraw/zinc/16/77/31/626167731.db2.gz KUBVLYKQXHQHAP-INIZCTEOSA-N 0 3 290.451 2.664 20 30 CFEDHN C[C@H](C[C@H](C)O)NCc1cc(C#N)ccc1Br ZINC000921987382 626191408 /nfs/dbraw/zinc/19/14/08/626191408.db2.gz ZUFBYMKZVAOPPQ-ZJUUUORDSA-N 0 3 297.196 2.570 20 30 CFEDHN C[C@]1(NCc2csc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000921990029 626191812 /nfs/dbraw/zinc/19/18/12/626191812.db2.gz MIUNOJKVHOEYDF-KGLIPLIRSA-N 0 3 262.378 2.667 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CNCc1cnc2n1CCCC2 ZINC000922113440 626210168 /nfs/dbraw/zinc/21/01/68/626210168.db2.gz MDVVONTXTPSILO-UHFFFAOYSA-N 0 3 294.402 2.998 20 30 CFEDHN CC(C)(CNCc1csc(C#N)c1)OCC1CC1 ZINC000922185524 626234950 /nfs/dbraw/zinc/23/49/50/626234950.db2.gz FCNOEKPVUQLPEB-UHFFFAOYSA-N 0 3 264.394 2.915 20 30 CFEDHN C=CCCn1cc(CNC[C@]23C[C@H]2CCCC3)nn1 ZINC000922427973 626287223 /nfs/dbraw/zinc/28/72/23/626287223.db2.gz VXDGMTLSFQCNEM-HIFRSBDPSA-N 0 3 260.385 2.524 20 30 CFEDHN C=C(Cl)CN1CCC[C@H]1C1CCN(C(=O)CC)CC1 ZINC001004308415 626342369 /nfs/dbraw/zinc/34/23/69/626342369.db2.gz BLQWWFODIBSCHJ-AWEZNQCLSA-N 0 3 284.831 2.852 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccccc2F)CC1 ZINC001005051833 626407364 /nfs/dbraw/zinc/40/73/64/626407364.db2.gz WMDSQZARPJSEMT-UHFFFAOYSA-N 0 3 290.382 2.938 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@H](O)c1ccccn1 ZINC000851737493 634501270 /nfs/dbraw/zinc/50/12/70/634501270.db2.gz FXKJHMIYYINYNQ-SFHVURJKSA-N 0 3 282.387 2.846 20 30 CFEDHN C=CCOc1ccccc1CNCCOC1CCOCC1 ZINC000922930329 626426324 /nfs/dbraw/zinc/42/63/24/626426324.db2.gz GDKHLWRTXYUPMP-UHFFFAOYSA-N 0 3 291.391 2.537 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CC(C)(C)OC2(C)C)nn1 ZINC000922949444 626431456 /nfs/dbraw/zinc/43/14/56/626431456.db2.gz YJBKSTFEXGRZRS-CYBMUJFWSA-N 0 3 292.427 2.538 20 30 CFEDHN C#CCC1(NCc2cccc3c2OCCCO3)CCC1 ZINC000923001153 626440647 /nfs/dbraw/zinc/44/06/47/626440647.db2.gz QRFWWCMJYSINRC-UHFFFAOYSA-N 0 3 271.360 2.884 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC001006250133 626481267 /nfs/dbraw/zinc/48/12/67/626481267.db2.gz ZBHXIABPPPVTSA-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CC[C@H](NCCn1cc(Cl)cn1)c1ccccc1 ZINC000838913375 626513626 /nfs/dbraw/zinc/51/36/26/626513626.db2.gz QMFXFIACZMVWNK-HNNXBMFYSA-N 0 3 273.767 2.891 20 30 CFEDHN C=C(C)[C@H](NC[C@@H](O)C1CC1)c1ccc(F)c(F)c1 ZINC000838936962 626516648 /nfs/dbraw/zinc/51/66/48/626516648.db2.gz WLTGFCHWYPAUCA-CABCVRRESA-N 0 3 267.319 2.943 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839203169 626532239 /nfs/dbraw/zinc/53/22/39/626532239.db2.gz VZODKIRFVTZLNY-CQSZACIVSA-N 0 3 296.798 2.515 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757104497 626544969 /nfs/dbraw/zinc/54/49/69/626544969.db2.gz UJAICDLJDJAKMG-KBPBESRZSA-N 0 3 280.412 2.635 20 30 CFEDHN COc1ccc(CN(C)CCO[C@H](C)C#N)cc1Cl ZINC000839661265 626549970 /nfs/dbraw/zinc/54/99/70/626549970.db2.gz LCASBOSCRZBTFB-LLVKDONJSA-N 0 3 282.771 2.709 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cncc(F)c2)nc(C)n1 ZINC000759204868 626636483 /nfs/dbraw/zinc/63/64/83/626636483.db2.gz NBBSWWYLNOKPJK-XGACYXMMSA-N 0 3 296.305 2.517 20 30 CFEDHN CCCCCCCCCCN(C)[C@@H]1CCNC1=O ZINC000759437252 626658861 /nfs/dbraw/zinc/65/88/61/626658861.db2.gz NEBPLQFLUYMMJT-CQSZACIVSA-N 0 3 254.418 2.947 20 30 CFEDHN CC(C)c1ccccc1OCC(=O)C(C#N)c1ccncn1 ZINC000760346179 626737495 /nfs/dbraw/zinc/73/74/95/626737495.db2.gz PVPLWDUILDQLPP-CQSZACIVSA-N 0 3 295.342 2.855 20 30 CFEDHN C#CCOCCN1CCSC[C@@H]1c1ccc(C)cc1 ZINC000851775847 634523051 /nfs/dbraw/zinc/52/30/51/634523051.db2.gz XRKNOXYOALZSEW-MRXNPFEDSA-N 0 3 275.417 2.735 20 30 CFEDHN Cc1nn(C)c(C)c1CN(C)CCc1ccc(C#N)cc1 ZINC000851779281 634524241 /nfs/dbraw/zinc/52/42/41/634524241.db2.gz ODZMROOSZVNYKS-UHFFFAOYSA-N 0 3 282.391 2.583 20 30 CFEDHN C#CCOCCN1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000851786848 634530625 /nfs/dbraw/zinc/53/06/25/634530625.db2.gz GBMZLTVKYVZSHW-XJKSGUPXSA-N 0 3 261.340 2.858 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)o1 ZINC000762619896 626926600 /nfs/dbraw/zinc/92/66/00/626926600.db2.gz XLLAEZAMEXZJMJ-AGIUHOORSA-N 0 3 280.418 2.620 20 30 CFEDHN COCC#CCN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000762926952 626951050 /nfs/dbraw/zinc/95/10/50/626951050.db2.gz YGBYDTFCWVFHMY-HOTGVXAUSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763675210 627004695 /nfs/dbraw/zinc/00/46/95/627004695.db2.gz NQNYAXGHDYYOJP-INIZCTEOSA-N 0 3 285.387 2.813 20 30 CFEDHN N#CC(C(=O)[C@H]1C[C@]12CCOC2)c1ccc2ccccc2n1 ZINC000764756660 627090479 /nfs/dbraw/zinc/09/04/79/627090479.db2.gz AYCUOPJPHKTLSB-IYOUNJFTSA-N 0 3 292.338 2.838 20 30 CFEDHN C#CCCCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000766232001 627186503 /nfs/dbraw/zinc/18/65/03/627186503.db2.gz DFDLGKJAMWYIEQ-CYBMUJFWSA-N 0 3 268.364 2.640 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766574265 627209977 /nfs/dbraw/zinc/20/99/77/627209977.db2.gz XBHFQRAGHHWJRS-UWVGGRQHSA-N 0 3 289.347 2.908 20 30 CFEDHN CCC#C[C@H](C)N1CCC(O)(c2ccccc2)CC1 ZINC000767856451 627289527 /nfs/dbraw/zinc/28/95/27/627289527.db2.gz XWJJVEYHPIDXKI-HNNXBMFYSA-N 0 3 257.377 2.772 20 30 CFEDHN CNC(=O)C1(NCc2ccccc2C(C)(C)C#N)CCCC1 ZINC000767899055 627292349 /nfs/dbraw/zinc/29/23/49/627292349.db2.gz LKVGNWMROHBDNZ-UHFFFAOYSA-N 0 3 299.418 2.636 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](F)c1ccccc1 ZINC000769285426 627419294 /nfs/dbraw/zinc/41/92/94/627419294.db2.gz ZBRJGJZHJGOANM-UONOGXRCSA-N 0 3 290.338 2.712 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)C[C@@H]1C ZINC000769379586 627431771 /nfs/dbraw/zinc/43/17/71/627431771.db2.gz BWOBNKUTMDXHCQ-GJZGRUSLSA-N 0 3 287.407 2.503 20 30 CFEDHN Cc1ccc(N2CCC[C@H](N[C@@H]3CC[C@@H](C#N)C3)C2=O)cc1 ZINC000769847062 627481289 /nfs/dbraw/zinc/48/12/89/627481289.db2.gz SOPPSTXTBRVLEL-INMHGKMJSA-N 0 3 297.402 2.772 20 30 CFEDHN C#C[C@H](C)N(C)CCOc1cccc(Br)c1 ZINC000769953088 627491006 /nfs/dbraw/zinc/49/10/06/627491006.db2.gz IMCVSFMMQSJHGT-NSHDSACASA-N 0 3 282.181 2.781 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000770287456 627511422 /nfs/dbraw/zinc/51/14/22/627511422.db2.gz XLRWUNBMPUIQAB-DLBZAZTESA-N 0 3 285.387 2.700 20 30 CFEDHN CCN1CC[C@H](N(C)c2snc(Cl)c2C#N)C[C@H]1C ZINC000771223665 627585867 /nfs/dbraw/zinc/58/58/67/627585867.db2.gz NQBPEKFVWXMCTA-ZJUUUORDSA-N 0 3 298.843 2.977 20 30 CFEDHN C#CCOCCN1CCC(c2cccc(F)c2F)CC1 ZINC000851944257 634603702 /nfs/dbraw/zinc/60/37/02/634603702.db2.gz MCWIPIJAKPXDST-UHFFFAOYSA-N 0 3 279.330 2.794 20 30 CFEDHN CCOCCON=C(C)c1ccc(N(C)C)cc1 ZINC000774433868 627925110 /nfs/dbraw/zinc/92/51/10/627925110.db2.gz MKQLVCDOIOCABE-UHFFFAOYSA-N 0 3 250.342 2.530 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(C)nn(CCCC)c1Cl ZINC000774826438 627967865 /nfs/dbraw/zinc/96/78/65/627967865.db2.gz IUGTZOOSEYBAAY-CYBMUJFWSA-N 0 3 299.846 2.919 20 30 CFEDHN CCC(CC)[C@H](NCC(=O)NCCC#N)c1cccs1 ZINC000775214028 628000208 /nfs/dbraw/zinc/00/02/08/628000208.db2.gz ZCINZZKDXJKAHQ-HNNXBMFYSA-N 0 3 293.436 2.845 20 30 CFEDHN C#C[C@@H](NCc1cc(C)c(C)cc1C)[C@@H]1CCCO1 ZINC000775344421 628013561 /nfs/dbraw/zinc/01/35/61/628013561.db2.gz HCVNJCFBZKDBOJ-SJORKVTESA-N 0 3 257.377 2.882 20 30 CFEDHN C#C[C@H](NC1CC(c2ccccc2)C1)[C@H]1CCCO1 ZINC000775573055 628040810 /nfs/dbraw/zinc/04/08/10/628040810.db2.gz WEMDPNQZSGGLFJ-SJJHQCBESA-N 0 3 255.361 2.703 20 30 CFEDHN CNC(=O)C1(NCc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000775626992 628047133 /nfs/dbraw/zinc/04/71/33/628047133.db2.gz PISKMFKEXAOVFE-UHFFFAOYSA-N 0 3 299.418 2.636 20 30 CFEDHN C#C[C@@H](NCCSc1ccccc1F)[C@H]1CCCO1 ZINC000775787914 628068172 /nfs/dbraw/zinc/06/81/72/628068172.db2.gz BRUVYAVKJMUTLP-ZIAGYGMSSA-N 0 3 279.380 2.688 20 30 CFEDHN CC[C@@H](CN(CC)CC(=O)NCCC#N)c1ccccc1 ZINC000775896808 628081319 /nfs/dbraw/zinc/08/13/19/628081319.db2.gz UQCQSBKHOZYAGW-HNNXBMFYSA-N 0 3 287.407 2.532 20 30 CFEDHN Cc1cc(C)c(C#N)c(SCCN2CCCC2)n1 ZINC000776432429 628150600 /nfs/dbraw/zinc/15/06/00/628150600.db2.gz CBNBNIRGISYPNO-UHFFFAOYSA-N 0 3 261.394 2.758 20 30 CFEDHN C#CCCN1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000776593356 628163036 /nfs/dbraw/zinc/16/30/36/628163036.db2.gz IQJXLKDFPIKTPD-SFHVURJKSA-N 0 3 286.394 2.844 20 30 CFEDHN C#CCN(CC[C@H]1COC(C)(C)O1)Cc1ccccc1 ZINC000852044976 634634551 /nfs/dbraw/zinc/63/45/51/634634551.db2.gz JGFQBVAVRPSMLS-INIZCTEOSA-N 0 3 273.376 2.663 20 30 CFEDHN C[C@H](NC[C@H](O)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000776728051 628171346 /nfs/dbraw/zinc/17/13/46/628171346.db2.gz QCFPEHHPSAKLCU-HZMBPMFUSA-N 0 3 274.295 2.675 20 30 CFEDHN CC(C)N1CC(N=Nc2cc(Cl)ccn2)[C@H](C)C1 ZINC000777905925 628263965 /nfs/dbraw/zinc/26/39/65/628263965.db2.gz CFYZNZSZNXLIHM-SNVBAGLBSA-N 0 3 266.776 2.863 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC(C)(C)CCO ZINC000778171875 628282981 /nfs/dbraw/zinc/28/29/81/628282981.db2.gz AYELPXUVHLDHHQ-UHFFFAOYSA-N 0 3 295.810 2.850 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(O)C(C)C ZINC000778169774 628283054 /nfs/dbraw/zinc/28/30/54/628283054.db2.gz BVRRDCVMMXCVFL-MRXNPFEDSA-N 0 3 295.810 2.849 20 30 CFEDHN C=C(C)CN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000778239143 628291498 /nfs/dbraw/zinc/29/14/98/628291498.db2.gz QJZTXARXLFAPTA-LBPRGKRZSA-N 0 3 299.399 2.980 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](C)CCCC(C)C ZINC000852096364 634649610 /nfs/dbraw/zinc/64/96/10/634649610.db2.gz AQAPSJMHJXJZOK-ZBFHGGJFSA-N 0 3 266.429 2.709 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)NC1CCCCCCC1 ZINC000852096892 634650376 /nfs/dbraw/zinc/65/03/76/634650376.db2.gz HPZYKEOLMFSXAY-MRXNPFEDSA-N 0 3 264.413 2.607 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000852097842 634652150 /nfs/dbraw/zinc/65/21/50/634652150.db2.gz XVTDNMQDJDCUHM-RDTXWAMCSA-N 0 3 286.419 2.818 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(C)Cc1ccc(CC)cc1 ZINC000852098206 634652224 /nfs/dbraw/zinc/65/22/24/634652224.db2.gz HKWACJAMXGQJLX-GOSISDBHSA-N 0 3 286.419 2.599 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000852099115 634653149 /nfs/dbraw/zinc/65/31/49/634653149.db2.gz FEQAFEITQYIXGK-HDMKZQKVSA-N 0 3 286.419 2.952 20 30 CFEDHN CC(Cc1ccc(C(F)(F)F)cc1)=NNC1=N[C@@H](C)CN1 ZINC000779804939 628408311 /nfs/dbraw/zinc/40/83/11/628408311.db2.gz HWXHCDMERUJWGL-JTQLQIEISA-N 0 3 298.312 2.561 20 30 CFEDHN Fc1ccc(C(N=Nc2ccncc2)C2CC2)cc1 ZINC000779808325 628408825 /nfs/dbraw/zinc/40/88/25/628408825.db2.gz IINALKIYYYWIHI-UHFFFAOYSA-N 0 3 255.296 2.869 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000852099640 634654776 /nfs/dbraw/zinc/65/47/76/634654776.db2.gz OPBYPNJTRFNLND-OALUTQOASA-N 0 3 298.430 2.954 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(Cc1ccccc1)C1CC1 ZINC000852100661 634655674 /nfs/dbraw/zinc/65/56/74/634655674.db2.gz ZDNRKQGMBXDSFK-GOSISDBHSA-N 0 3 284.403 2.569 20 30 CFEDHN CCC(=NN[C@H]1CCCOC1)c1ccc(N(C)C)cc1 ZINC000780251726 628445675 /nfs/dbraw/zinc/44/56/75/628445675.db2.gz PILDFIFCHMEMDJ-AWEZNQCLSA-N 0 3 275.396 2.635 20 30 CFEDHN Cc1ccccc1[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000780334548 628455786 /nfs/dbraw/zinc/45/57/86/628455786.db2.gz XQOWKSLEPZFDDR-OAHLLOKOSA-N 0 3 258.365 2.654 20 30 CFEDHN CC[C@H](C#N)Oc1cc(CNC2CSC2)ccc1OC ZINC000780875971 628501423 /nfs/dbraw/zinc/50/14/23/628501423.db2.gz CRTBQDYIURWWFH-CYBMUJFWSA-N 0 3 292.404 2.581 20 30 CFEDHN C[C@H](NCCOc1cccnc1)c1ccc(C#N)cc1F ZINC000781421120 628547700 /nfs/dbraw/zinc/54/77/00/628547700.db2.gz FFDPBGXXJANZCQ-LBPRGKRZSA-N 0 3 285.322 2.822 20 30 CFEDHN Nc1ncc(C=NNc2ccc(C(F)(F)F)cc2)cn1 ZINC000781596708 628563848 /nfs/dbraw/zinc/56/38/48/628563848.db2.gz MFLMGBVMUXUFKP-UHFFFAOYSA-N 0 3 281.241 2.524 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781972323 628594013 /nfs/dbraw/zinc/59/40/13/628594013.db2.gz CJVSBWVOUUGXLM-UHFFFAOYSA-N 0 3 254.374 2.552 20 30 CFEDHN CCCCCCN(C)CC(=O)N1CCC(CC#N)CC1 ZINC000782054158 628600233 /nfs/dbraw/zinc/60/02/33/628600233.db2.gz FDRXLVUGIFMFIW-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN C[C@H](CSC(C)(C)C)NCc1ccc(C#N)cn1 ZINC000783294874 628698226 /nfs/dbraw/zinc/69/82/26/628698226.db2.gz XNMSWCRBGFKTIT-LLVKDONJSA-N 0 3 263.410 2.963 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCC[C@@H](C)CC ZINC000784832121 628844260 /nfs/dbraw/zinc/84/42/60/628844260.db2.gz ZSMWGWJWSBZUHO-STQMWFEESA-N 0 3 264.369 2.604 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC(C)(C)C#N ZINC000786272354 628946030 /nfs/dbraw/zinc/94/60/30/628946030.db2.gz WIRRWPDYSDDCES-LLVKDONJSA-N 0 3 280.331 2.689 20 30 CFEDHN CCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786545217 628967938 /nfs/dbraw/zinc/96/79/38/628967938.db2.gz DYLDQYZUWAFUGR-HNNXBMFYSA-N 0 3 286.375 2.900 20 30 CFEDHN C=C(CC)COC(=O)CCN1CCc2ccccc2C1 ZINC000786812748 628980538 /nfs/dbraw/zinc/98/05/38/628980538.db2.gz GVLAHQDRBAKJDF-UHFFFAOYSA-N 0 3 273.376 2.944 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000787067994 628990844 /nfs/dbraw/zinc/99/08/44/628990844.db2.gz LKCURKWHDDYMAT-CABCVRRESA-N 0 3 296.370 2.544 20 30 CFEDHN COc1cc(C)ccc1C(C)=NNc1nccn1C ZINC000790299922 629227378 /nfs/dbraw/zinc/22/73/78/629227378.db2.gz KGXWUEVRKCZAND-UHFFFAOYSA-N 0 3 258.325 2.573 20 30 CFEDHN COc1cc(C)ccc1C(C)=N[N-]c1[nH+]ccn1C ZINC000790299922 629227383 /nfs/dbraw/zinc/22/73/83/629227383.db2.gz KGXWUEVRKCZAND-UHFFFAOYSA-N 0 3 258.325 2.573 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000790308698 629230335 /nfs/dbraw/zinc/23/03/35/629230335.db2.gz LLUSIRGOWOKWMS-JTQLQIEISA-N 0 3 294.330 2.862 20 30 CFEDHN CCCCCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000791051953 629283936 /nfs/dbraw/zinc/28/39/36/629283936.db2.gz MRIYZYBYCKGZLQ-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)c1cnc2ccccc2n1 ZINC000792110035 629398005 /nfs/dbraw/zinc/39/80/05/629398005.db2.gz XERAYJLPBHXXSX-KRZKBDHCSA-N 0 3 263.300 2.772 20 30 CFEDHN C#CCN(CC)CCOc1ccc(Cl)c(F)c1 ZINC000792234549 629412820 /nfs/dbraw/zinc/41/28/20/629412820.db2.gz BXPCVPKCBWGXPF-UHFFFAOYSA-N 0 3 255.720 2.813 20 30 CFEDHN C=C(Br)COC(=O)c1cccc(CN(C)C)c1 ZINC000835333274 629638169 /nfs/dbraw/zinc/63/81/69/629638169.db2.gz YXDIKLYMZMCREO-UHFFFAOYSA-N 0 3 298.180 2.814 20 30 CFEDHN CCC(=NOCCCOC)c1ccc(N(C)C)cc1 ZINC000795042799 629728646 /nfs/dbraw/zinc/72/86/46/629728646.db2.gz ZCUARGAQUHHJSI-UHFFFAOYSA-N 0 3 264.369 2.920 20 30 CFEDHN COc1cccc([C@@]2(C)CCN(CCO[C@H](C)C#N)C2)c1 ZINC000852535454 634772691 /nfs/dbraw/zinc/77/26/91/634772691.db2.gz DNWPBODKJAHMRZ-PBHICJAKSA-N 0 3 288.391 2.587 20 30 CFEDHN COc1cccc([C@]2(C)CCN(CCO[C@H](C)C#N)C2)c1 ZINC000852535455 634773092 /nfs/dbraw/zinc/77/30/92/634773092.db2.gz DNWPBODKJAHMRZ-RHSMWYFYSA-N 0 3 288.391 2.587 20 30 CFEDHN CC#CCN1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796411807 629915333 /nfs/dbraw/zinc/91/53/33/629915333.db2.gz AZKFRYYSUDKRQU-KRWDZBQOSA-N 0 3 257.377 2.764 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796583235 629938154 /nfs/dbraw/zinc/93/81/54/629938154.db2.gz FDKUIRKSMOOJLH-MAUKXSAKSA-N 0 3 298.430 2.566 20 30 CFEDHN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000797548674 630078440 /nfs/dbraw/zinc/07/84/40/630078440.db2.gz LAXCAZBJHDREFU-CYBMUJFWSA-N 0 3 282.299 2.803 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](c2ccccn2)C1 ZINC000799190221 630285901 /nfs/dbraw/zinc/28/59/01/630285901.db2.gz MWHWVWOIPCLWSD-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN COc1cccc([O-])c1C[NH2+]CC1CCC(C#N)CC1 ZINC000799344614 630302299 /nfs/dbraw/zinc/30/22/99/630302299.db2.gz XFRCHVRLXNEWBX-UHFFFAOYSA-N 0 3 274.364 2.820 20 30 CFEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103638832 630305280 /nfs/dbraw/zinc/30/52/80/630305280.db2.gz KMOUPKHQUOIDRS-WFASDCNBSA-N 0 3 284.359 2.558 20 30 CFEDHN Cc1cc(C)c(NNC2=CC(=O)N3CCCC23)c(C)c1 ZINC000799481216 630312682 /nfs/dbraw/zinc/31/26/82/630312682.db2.gz NMLVRTJAGUGPOB-CQSZACIVSA-N 0 3 271.364 2.774 20 30 CFEDHN CCN1CCN(c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000799720629 630338824 /nfs/dbraw/zinc/33/88/24/630338824.db2.gz KQEZNBYPKFSDPU-RDJZCZTQSA-N 0 3 298.434 2.933 20 30 CFEDHN COCCN(CCO[C@@H](C)C#N)Cc1ccc(C)cc1C ZINC000801913209 630486081 /nfs/dbraw/zinc/48/60/81/630486081.db2.gz AGXYKJZQUDASMC-INIZCTEOSA-N 0 3 290.407 2.681 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000801913618 630486100 /nfs/dbraw/zinc/48/61/00/630486100.db2.gz YNPFVXNNYAMDMK-IUODEOHRSA-N 0 3 262.328 2.891 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000801918342 630487323 /nfs/dbraw/zinc/48/73/23/630487323.db2.gz JYDPYLWMIXVEOX-OCCSQVGLSA-N 0 3 262.328 2.544 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(OCC2CCCCC2)CC1 ZINC000801923658 630488792 /nfs/dbraw/zinc/48/87/92/630488792.db2.gz LXUQZOLKICVWRI-HNNXBMFYSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000801930074 630490019 /nfs/dbraw/zinc/49/00/19/630490019.db2.gz DLUQGDJRJDNSOY-UONOGXRCSA-N 0 3 299.374 2.936 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000801950397 630494633 /nfs/dbraw/zinc/49/46/33/630494633.db2.gz VMCOWRHQABDXLH-MNOVXSKESA-N 0 3 278.318 2.825 20 30 CFEDHN CCCC[N@H+](CCO[C@H](C)C#N)Cc1ccccc1[O-] ZINC000801954639 630494999 /nfs/dbraw/zinc/49/49/99/630494999.db2.gz KPOIDZIBIUUSPO-CQSZACIVSA-N 0 3 276.380 2.923 20 30 CFEDHN CCCC[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1[O-] ZINC000801954639 630495001 /nfs/dbraw/zinc/49/50/01/630495001.db2.gz KPOIDZIBIUUSPO-CQSZACIVSA-N 0 3 276.380 2.923 20 30 CFEDHN C#CCCN(CCOC)CCSc1ccccc1F ZINC000852751923 634825933 /nfs/dbraw/zinc/82/59/33/634825933.db2.gz OZZGZHSXAWKLKO-UHFFFAOYSA-N 0 3 281.396 2.890 20 30 CFEDHN C#CCCCC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000807681219 630903693 /nfs/dbraw/zinc/90/36/93/630903693.db2.gz GDCUVFCTVSXBHL-KGLIPLIRSA-N 0 3 276.380 2.629 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000807991489 630932957 /nfs/dbraw/zinc/93/29/57/630932957.db2.gz XVGHWXPBCSEUDK-LLVKDONJSA-N 0 3 288.351 2.928 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000855360184 635517247 /nfs/dbraw/zinc/51/72/47/635517247.db2.gz IVUWDJWVCGGZDH-CABCVRRESA-N 0 3 297.443 2.510 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)C#CC(C)(C)C)c1 ZINC000837337207 631004168 /nfs/dbraw/zinc/00/41/68/631004168.db2.gz CDIATBBUQKRYNK-UHFFFAOYSA-N 0 3 258.365 2.736 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787573 631048416 /nfs/dbraw/zinc/04/84/16/631048416.db2.gz IDYRIOKPEMEBPX-CEXWTWQISA-N 0 3 297.398 2.988 20 30 CFEDHN C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCN1Cc1ccccc1 ZINC000837655436 631098969 /nfs/dbraw/zinc/09/89/69/631098969.db2.gz DYURZVNYCXXLNB-NVXWUHKLSA-N 0 3 298.430 2.815 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000809571607 631237001 /nfs/dbraw/zinc/23/70/01/631237001.db2.gz ZDMZTVPUKDRDER-CQSZACIVSA-N 0 3 283.375 2.622 20 30 CFEDHN Cc1ccc(CCC2CCN(C[C@H](O)CC#N)CC2)cc1 ZINC000809571520 631238019 /nfs/dbraw/zinc/23/80/19/631238019.db2.gz VCXVAHXBVDBJQQ-GOSISDBHSA-N 0 3 286.419 2.914 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](OCC(C)C)C2)cc1 ZINC000809594462 631243265 /nfs/dbraw/zinc/24/32/65/631243265.db2.gz WWSFJHRVOCBELT-KRWDZBQOSA-N 0 3 257.377 2.915 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000809617181 631246772 /nfs/dbraw/zinc/24/67/72/631246772.db2.gz KACQSYQLRNQDDT-UHFFFAOYSA-N 0 3 276.339 2.860 20 30 CFEDHN C=CC[C@@H](NCc1cc(C(=O)OC)n(C)c1)c1ccncc1 ZINC000809620185 631247972 /nfs/dbraw/zinc/24/79/72/631247972.db2.gz CZEPXINFYJYOOW-OAHLLOKOSA-N 0 3 299.374 2.614 20 30 CFEDHN C#Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1 ZINC000809621695 631248877 /nfs/dbraw/zinc/24/88/77/631248877.db2.gz OAWJVKVCZMWWPV-MRXNPFEDSA-N 0 3 287.309 2.769 20 30 CFEDHN C#C[C@H](NCc1cc(-c2ccccc2)n[nH]1)C(C)C ZINC000809684422 631261991 /nfs/dbraw/zinc/26/19/91/631261991.db2.gz BNAISHQGPVNSQE-HNNXBMFYSA-N 0 3 253.349 2.824 20 30 CFEDHN CC(C)(CCC#N)CNCc1ncc(C2OCCO2)s1 ZINC000809778924 631287135 /nfs/dbraw/zinc/28/71/35/631287135.db2.gz XXSVOMWWBCKOFM-UHFFFAOYSA-N 0 3 295.408 2.608 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](C#C)C(C)(C)C)cc1 ZINC000809781069 631288325 /nfs/dbraw/zinc/28/83/25/631288325.db2.gz GHDRVPNOVWXFSK-INIZCTEOSA-N 0 3 255.361 2.836 20 30 CFEDHN N#CC(C(=O)[C@@H]1CCCSC1)c1nc2ccccc2[nH]1 ZINC000810519187 631380635 /nfs/dbraw/zinc/38/06/35/631380635.db2.gz AKRVYNXGSOVBOI-GHMZBOCLSA-N 0 3 285.372 2.882 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NN[C@H]1CCOC(C)(C)C1 ZINC000841633369 631438743 /nfs/dbraw/zinc/43/87/43/631438743.db2.gz JQOXQRCKVZEPPU-HNNXBMFYSA-N 0 3 289.423 2.942 20 30 CFEDHN CSCCON=Cc1ccc(N(C)C)cc1C ZINC000841635648 631439749 /nfs/dbraw/zinc/43/97/49/631439749.db2.gz FSOJYZCPCIUVPS-UHFFFAOYSA-N 0 3 252.383 2.775 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NNC[C@H]1CCSC1 ZINC000841639524 631440430 /nfs/dbraw/zinc/44/04/30/631440430.db2.gz SDVUYCSQXMCSEO-CYBMUJFWSA-N 0 3 277.437 2.738 20 30 CFEDHN C#C[C@@H](NCCc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000811492183 631570578 /nfs/dbraw/zinc/57/05/78/631570578.db2.gz XTYTVXOEFOAICK-CABCVRRESA-N 0 3 281.758 2.792 20 30 CFEDHN CC#CCOC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842331775 631595711 /nfs/dbraw/zinc/59/57/11/631595711.db2.gz XAFVCVVDQGVNCS-UHFFFAOYSA-N 0 3 271.360 2.853 20 30 CFEDHN N#CCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000813060989 631822701 /nfs/dbraw/zinc/82/27/01/631822701.db2.gz AEJGDOBQHMXAJU-SNVBAGLBSA-N 0 3 253.261 2.698 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000843265021 631913213 /nfs/dbraw/zinc/91/32/13/631913213.db2.gz SPKBNZPBKSEPAC-IFEYXZSHSA-N 0 3 276.380 2.835 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000843423689 631951777 /nfs/dbraw/zinc/95/17/77/631951777.db2.gz IFHXIWFZZMEXOW-CQSZACIVSA-N 0 3 259.397 2.873 20 30 CFEDHN C#CC1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000843426685 631954720 /nfs/dbraw/zinc/95/47/20/631954720.db2.gz GLHIJFWVSMIYQV-UHFFFAOYSA-N 0 3 265.360 2.922 20 30 CFEDHN CCN(CCO)c1ccc(C=NOCC2CC2)c(C)c1 ZINC000814244578 632044264 /nfs/dbraw/zinc/04/42/64/632044264.db2.gz AIKTTWADZMRXJD-UHFFFAOYSA-N 0 3 276.380 2.574 20 30 CFEDHN Cc1cc(C)[nH]c(=NNC2=C[C@H](C(F)(F)F)OCC2)n1 ZINC000814681577 632106770 /nfs/dbraw/zinc/10/67/70/632106770.db2.gz SEIQJOBCFRTCOI-SNVBAGLBSA-N 0 3 288.273 2.603 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCC[C@@H]1CC1(Cl)Cl ZINC000844279305 632154301 /nfs/dbraw/zinc/15/43/01/632154301.db2.gz RZCKRCRPYGKHMT-WDEREUQCSA-N 0 3 274.195 2.994 20 30 CFEDHN Fc1cc(NNC2=C[C@H](C(F)(F)F)OCC2)ccn1 ZINC000814902160 632155617 /nfs/dbraw/zinc/15/56/17/632155617.db2.gz GTGHBZRIABPMBO-SECBINFHSA-N 0 3 277.221 2.730 20 30 CFEDHN CC#CCN1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844356016 632178459 /nfs/dbraw/zinc/17/84/59/632178459.db2.gz DJTMTWKDCADZAP-YOEHRIQHSA-N 0 3 292.423 2.637 20 30 CFEDHN CC(=NNC[C@@H](C)O)c1ccc(N2CCCCCC2)cc1 ZINC000814966385 632182278 /nfs/dbraw/zinc/18/22/78/632182278.db2.gz KYBKQZYNTZVFQW-CQSZACIVSA-N 0 3 289.423 2.761 20 30 CFEDHN N#CCCCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844372647 632183531 /nfs/dbraw/zinc/18/35/31/632183531.db2.gz BGJJLCPSRVLQFM-HNNXBMFYSA-N 0 3 278.783 2.927 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1cccc2ccccc21)[C@H]1CCCO1 ZINC000815093660 632200609 /nfs/dbraw/zinc/20/06/09/632200609.db2.gz PVOFFSVBRDGHQV-CEXWTWQISA-N 0 3 295.382 2.644 20 30 CFEDHN Cc1ccnc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000815092985 632200732 /nfs/dbraw/zinc/20/07/32/632200732.db2.gz YKTPUODPCNTYEV-ZFWWWQNUSA-N 0 3 270.380 2.657 20 30 CFEDHN Cc1cc(CN2CCC3(CC2)OCCCO3)ccc1C#N ZINC000815159205 632220420 /nfs/dbraw/zinc/22/04/20/632220420.db2.gz MAPJMLUWHVZJIX-UHFFFAOYSA-N 0 3 286.375 2.596 20 30 CFEDHN C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccccc2C#N)[C@@H](C)CN1C ZINC000844647600 632273556 /nfs/dbraw/zinc/27/35/56/632273556.db2.gz ZJYXRKLBUHTNAS-LZABTCCXSA-N 0 3 297.402 2.511 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815908082 632332366 /nfs/dbraw/zinc/33/23/66/632332366.db2.gz RQYZANVWTFXIRC-CQSZACIVSA-N 0 3 295.342 2.590 20 30 CFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=C1CCCC1 ZINC000815915605 632333389 /nfs/dbraw/zinc/33/33/89/632333389.db2.gz UAXNUALGSDKPFZ-NSHDSACASA-N 0 3 287.294 2.527 20 30 CFEDHN CCc1ccc(C#CC(=O)N[C@@H]2CCCN(C(C)C)C2)cc1 ZINC000816141944 632381453 /nfs/dbraw/zinc/38/14/53/632381453.db2.gz BNTUNJQNHJZSBV-GOSISDBHSA-N 0 3 298.430 2.590 20 30 CFEDHN CC(C)(C)N1CC[C@H]1COC(=O)c1cccc(C#N)c1 ZINC000845741692 632547636 /nfs/dbraw/zinc/54/76/36/632547636.db2.gz WFYVJTBFPCOWMX-AWEZNQCLSA-N 0 3 272.348 2.588 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000846228197 632669862 /nfs/dbraw/zinc/66/98/62/632669862.db2.gz KGWXKDGDLDOODK-ZDUSSCGKSA-N 0 3 292.810 2.515 20 30 CFEDHN N#CC(C(=O)[C@H]1CC12CC2)c1nc2ccccc2[nH]1 ZINC000817715023 632691080 /nfs/dbraw/zinc/69/10/80/632691080.db2.gz ZWZQJISOMNKYLC-VHSXEESVSA-N 0 3 251.289 2.539 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC(C2CCCCC2)CC1 ZINC000818073734 632793896 /nfs/dbraw/zinc/79/38/96/632793896.db2.gz MCWGROOJNVHNDQ-MRXNPFEDSA-N 0 3 291.439 2.826 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000818346696 632835019 /nfs/dbraw/zinc/83/50/19/632835019.db2.gz IEQCLIGJLRXZFT-ZETOZRRWSA-N 0 3 265.328 2.773 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@H]3CCCC[C@H]3C2)nn1 ZINC000818346459 632835163 /nfs/dbraw/zinc/83/51/63/632835163.db2.gz LLQVNFJTYPIHGU-QLFBSQMISA-N 0 3 274.412 2.913 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000818599249 632876321 /nfs/dbraw/zinc/87/63/21/632876321.db2.gz FWUMGKGTFOLZDG-QGZVFWFLSA-N 0 3 298.430 2.568 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2nc3ccccc3nc2C)C1 ZINC000847025791 632892912 /nfs/dbraw/zinc/89/29/12/632892912.db2.gz DGYHVAOEQIILOB-CQSZACIVSA-N 0 3 265.360 2.783 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(-c3ccccn3)nc2)C1 ZINC000847030792 632894574 /nfs/dbraw/zinc/89/45/74/632894574.db2.gz AIQGHFRNXOOHMQ-HNNXBMFYSA-N 0 3 277.371 2.989 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000847033591 632898710 /nfs/dbraw/zinc/89/87/10/632898710.db2.gz YWPNXZVCCOBGOT-ZDUSSCGKSA-N 0 3 297.354 2.647 20 30 CFEDHN N#CCC[C@H](C#N)CNCCCSc1nccs1 ZINC000819064042 632947655 /nfs/dbraw/zinc/94/76/55/632947655.db2.gz SUCSFCOGWVSGII-LLVKDONJSA-N 0 3 280.422 2.658 20 30 CFEDHN COc1cc(C)ccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819152417 632987035 /nfs/dbraw/zinc/98/70/35/632987035.db2.gz SUSVAKLUZJSKNN-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN CC(C)(CC#N)CNC[C@@H](O)c1c(F)cccc1F ZINC000819361084 633110514 /nfs/dbraw/zinc/11/05/14/633110514.db2.gz CHZWLCAIMOBXRW-GFCCVEGCSA-N 0 3 268.307 2.528 20 30 CFEDHN Fc1ccc(N=NC2CCCN3CCCC[C@@H]23)nc1 ZINC000848405334 633250107 /nfs/dbraw/zinc/25/01/07/633250107.db2.gz HKFZDHPWLMWKHX-ZDUSSCGKSA-N 0 3 262.332 2.637 20 30 CFEDHN FC(F)(F)CON=C1CCCN2CCCC[C@H]12 ZINC000848407138 633250519 /nfs/dbraw/zinc/25/05/19/633250519.db2.gz MDCQSIHHCJVPJQ-SNVBAGLBSA-N 0 3 250.264 2.570 20 30 CFEDHN Fc1cccnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848411857 633252891 /nfs/dbraw/zinc/25/28/91/633252891.db2.gz UULCUCVDVLGQIQ-ZDUSSCGKSA-N 0 3 262.332 2.637 20 30 CFEDHN CC[C@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000848569089 633291866 /nfs/dbraw/zinc/29/18/66/633291866.db2.gz BUMNOQXPJMHOAL-CVEARBPZSA-N 0 3 299.374 2.582 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cn(C)nc2-c2cccs2)C1 ZINC000848923559 633406885 /nfs/dbraw/zinc/40/68/85/633406885.db2.gz GNMRBBQTZMTGEI-ZDUSSCGKSA-N 0 3 285.416 2.994 20 30 CFEDHN C[C@H](CC/N=C/c1cc(Cl)ccc1[O-])[NH+](C)C ZINC000849170455 633578400 /nfs/dbraw/zinc/57/84/00/633578400.db2.gz PNMQLBIEVQGKCN-KXUVPBGPSA-N 0 3 254.761 2.805 20 30 CFEDHN C=CCCSCCNCc1cnc([C@@H](C)O)s1 ZINC000850354393 633951638 /nfs/dbraw/zinc/95/16/38/633951638.db2.gz GAEHINJUTWVXBS-SNVBAGLBSA-N 0 3 272.439 2.595 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cccnc1Cl ZINC000850531463 634038508 /nfs/dbraw/zinc/03/85/08/634038508.db2.gz FIBNMHGVGMRBLB-LLVKDONJSA-N 0 3 254.761 2.978 20 30 CFEDHN N#CC(C(=O)CCCF)C(=O)Nc1ccccc1Cl ZINC000850758715 634081812 /nfs/dbraw/zinc/08/18/12/634081812.db2.gz CSNJVHPEEJEPDO-VIFPVBQESA-N 0 3 282.702 2.737 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)C(=O)CCCF)c1ccccc1 ZINC000850978490 634163332 /nfs/dbraw/zinc/16/33/32/634163332.db2.gz TVRLVPKNWBDGGS-ZIAGYGMSSA-N 0 3 290.338 2.712 20 30 CFEDHN CC([C@H](OC(=O)[C@H](C)CC#N)c1ccccc1F)[N+](=O)[O-] ZINC000851108870 634226169 /nfs/dbraw/zinc/22/61/69/634226169.db2.gz QLJFZBPHHOMTQZ-NRUUGDAUSA-N 0 3 294.282 2.625 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccnc(Cl)c1 ZINC000853395293 634992333 /nfs/dbraw/zinc/99/23/33/634992333.db2.gz RWHPIXDGRODEFE-VIFPVBQESA-N 0 3 264.760 2.617 20 30 CFEDHN COc1cc(O)c(CN2CCC[C@H](CC#N)C2)cc1OC ZINC000853524741 635027168 /nfs/dbraw/zinc/02/71/68/635027168.db2.gz OZJHWHMSTCCCIE-GFCCVEGCSA-N 0 3 290.363 2.535 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2nccc3ccccc32)CC1 ZINC000854829732 635403179 /nfs/dbraw/zinc/40/31/79/635403179.db2.gz HNYDYDRISGJVHY-UHFFFAOYSA-N 0 3 293.370 2.519 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H](C)C2CCCCC2)CC1 ZINC000856224919 635759622 /nfs/dbraw/zinc/75/96/22/635759622.db2.gz NNBQQUQSDQLPNZ-OAHLLOKOSA-N 0 3 290.451 2.664 20 30 CFEDHN Clc1cnc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000857220148 635949747 /nfs/dbraw/zinc/94/97/47/635949747.db2.gz COCKKYLQZHKBBC-GFCCVEGCSA-N 0 3 279.775 2.546 20 30 CFEDHN C#CCCCN1CCc2nccc(Br)c2C1 ZINC000857916311 636070868 /nfs/dbraw/zinc/07/08/68/636070868.db2.gz IFPRBAWFZJDHMK-UHFFFAOYSA-N 0 3 279.181 2.616 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC=CC1 ZINC000158627171 650232697 /nfs/dbraw/zinc/23/26/97/650232697.db2.gz GMRMBSRLOLTDBO-LBPRGKRZSA-N 0 3 265.316 2.716 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1C[C@@H](OC)C1 ZINC000858330693 636191853 /nfs/dbraw/zinc/19/18/53/636191853.db2.gz FFJWAZFFXBGXDV-BETUJISGSA-N 0 3 293.794 2.867 20 30 CFEDHN C#CCCOC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000858914839 636382262 /nfs/dbraw/zinc/38/22/62/636382262.db2.gz CPMQBPXKNQHTDR-HOCLYGCPSA-N 0 3 286.375 2.571 20 30 CFEDHN C=CC[C@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000859444221 636565244 /nfs/dbraw/zinc/56/52/44/636565244.db2.gz HDGJLECGRRRXGH-SMDDNHRTSA-N 0 3 267.319 2.896 20 30 CFEDHN C#CCN[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000859846968 636723294 /nfs/dbraw/zinc/72/32/94/636723294.db2.gz ODXVXFPOWVZOEW-ZDUSSCGKSA-N 0 3 271.191 2.819 20 30 CFEDHN C[C@H](CN(C)CCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860096747 636785159 /nfs/dbraw/zinc/78/51/59/636785159.db2.gz MZEVRRZXXYGYPE-GFCCVEGCSA-N 0 3 283.416 2.771 20 30 CFEDHN C=CCN1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000081518540 636789715 /nfs/dbraw/zinc/78/97/15/636789715.db2.gz QVJHJEPWZOWWQO-QWHCGFSZSA-N 0 3 268.401 2.798 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860463572 636891063 /nfs/dbraw/zinc/89/10/63/636891063.db2.gz DSGXOVXVXPKDMX-STQMWFEESA-N 0 3 290.363 2.788 20 30 CFEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000860470630 636892204 /nfs/dbraw/zinc/89/22/04/636892204.db2.gz RKFHCCXUOMBLLL-KGLIPLIRSA-N 0 3 288.347 2.539 20 30 CFEDHN CCC(C#N)(CC)C(=O)OC[C@@H](C)N1CCCCC1 ZINC000860862464 636993708 /nfs/dbraw/zinc/99/37/08/636993708.db2.gz MWWCYGFDVZKXOA-CYBMUJFWSA-N 0 3 266.385 2.734 20 30 CFEDHN C=CCN(C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862331234 637323204 /nfs/dbraw/zinc/32/32/04/637323204.db2.gz JOURHYKZWLYSNB-NSHDSACASA-N 0 3 290.354 2.749 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OC2CC2)c1 ZINC000862363333 637335527 /nfs/dbraw/zinc/33/55/27/637335527.db2.gz MZBQMTDLDLSSLV-ZDUSSCGKSA-N 0 3 259.349 2.738 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(OC)ccc2OCOC)C1 ZINC000862444619 637386176 /nfs/dbraw/zinc/38/61/76/637386176.db2.gz DGOULOXDGGWQDR-CQSZACIVSA-N 0 3 289.375 2.523 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000862447054 637387695 /nfs/dbraw/zinc/38/76/95/637387695.db2.gz HOFZLORTKHRUOV-GFCCVEGCSA-N 0 3 291.778 2.972 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862448555 637389457 /nfs/dbraw/zinc/38/94/57/637389457.db2.gz ZWPLJKZPQBVARQ-GFCCVEGCSA-N 0 3 278.346 2.876 20 30 CFEDHN C#CC[C@H](COC)N[C@@H](C)c1cc2cnccc2o1 ZINC000862551381 637422652 /nfs/dbraw/zinc/42/26/52/637422652.db2.gz UFAFKCRXNJAZEE-WCQYABFASA-N 0 3 258.321 2.517 20 30 CFEDHN C#CC[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000862562539 637429113 /nfs/dbraw/zinc/42/91/13/637429113.db2.gz AFKJRYJTMHSROZ-MRXNPFEDSA-N 0 3 296.414 2.768 20 30 CFEDHN COc1cc2c(cc1C=NNc1ccnc(C)c1)O[C@H](C)C2 ZINC000863158864 637572772 /nfs/dbraw/zinc/57/27/72/637572772.db2.gz VFTOGCZAMWTXLN-GFCCVEGCSA-N 0 3 297.358 2.590 20 30 CFEDHN Cc1cc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)ccn1 ZINC000863158456 637573301 /nfs/dbraw/zinc/57/33/01/637573301.db2.gz CAGZQDGTYXYDPE-YGRLFVJLSA-N 0 3 255.321 2.974 20 30 CFEDHN CC(=[NH+][N-]c1ccnc(C)c1)c1ccc(F)cc1N(C)C ZINC000863159342 637574019 /nfs/dbraw/zinc/57/40/19/637574019.db2.gz MQPGFOUXWZEXFM-UHFFFAOYSA-N 0 3 286.354 2.853 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1coc(C(C)C)n1 ZINC000863159460 637574209 /nfs/dbraw/zinc/57/42/09/637574209.db2.gz SGDOETAFOKVSQU-UHFFFAOYSA-N 0 3 258.325 2.759 20 30 CFEDHN CSCc1cnc(C=NNc2ccnc(C)c2)s1 ZINC000863159569 637574650 /nfs/dbraw/zinc/57/46/50/637574650.db2.gz WOOJFMSUHCKWGZ-UHFFFAOYSA-N 0 3 278.406 2.577 20 30 CFEDHN CCCCCCCNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865404890 638314296 /nfs/dbraw/zinc/31/42/96/638314296.db2.gz VRDNVUQHSCYTTG-HNNXBMFYSA-N 0 3 280.416 2.517 20 30 CFEDHN N#Cc1cc(C(F)(F)F)cc(N[C@H]2CCN(C3CC3)C2)n1 ZINC000865465797 638353506 /nfs/dbraw/zinc/35/35/06/638353506.db2.gz KADHCULMYYDMNY-JTQLQIEISA-N 0 3 296.296 2.621 20 30 CFEDHN N#Cc1cc(C(F)(F)F)cc(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000865465798 638353725 /nfs/dbraw/zinc/35/37/25/638353725.db2.gz KADHCULMYYDMNY-SNVBAGLBSA-N 0 3 296.296 2.621 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001006445925 650422508 /nfs/dbraw/zinc/42/25/08/650422508.db2.gz QDGFYSPJDMWMCJ-DQPZFDDXSA-N 0 3 290.451 2.922 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CCN(C)C(C)(C)CC1 ZINC000866113087 638742868 /nfs/dbraw/zinc/74/28/68/638742868.db2.gz SULSQRBSOTYODK-UHFFFAOYSA-N 0 3 285.391 2.681 20 30 CFEDHN CN1CCN(c2nc(C#N)c(Cl)s2)CCC1(C)C ZINC000866112860 638743147 /nfs/dbraw/zinc/74/31/47/638743147.db2.gz LZFVKZQSYKSJAY-UHFFFAOYSA-N 0 3 284.816 2.589 20 30 CFEDHN C[C@H](C1CC1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000866589355 638849736 /nfs/dbraw/zinc/84/97/36/638849736.db2.gz GLUBMRSJZCSNFV-GFCCVEGCSA-N 0 3 273.355 2.618 20 30 CFEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1cc2n(n1)CCC2 ZINC000866615095 638855194 /nfs/dbraw/zinc/85/51/94/638855194.db2.gz BCBUFQSMSWCFIR-BLLLJJGKSA-N 0 3 292.386 2.519 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)c1coc(C#N)c1 ZINC000868495025 638950116 /nfs/dbraw/zinc/95/01/16/638950116.db2.gz UDXKFCGAEFXPOX-UHFFFAOYSA-N 0 3 298.346 2.821 20 30 CFEDHN C#CCN(Cc1ccc(N(C)CC)nc1)C1CCCC1 ZINC000191425501 650498714 /nfs/dbraw/zinc/49/87/14/650498714.db2.gz XLBHUZLPLORDLY-UHFFFAOYSA-N 0 3 271.408 2.916 20 30 CFEDHN Cc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000079852571 650624476 /nfs/dbraw/zinc/62/44/76/650624476.db2.gz NWDYXTJXIJXUKK-INIZCTEOSA-N 0 3 298.386 2.695 20 30 CFEDHN CC[C@H](NCCCC#N)C(=O)N(C)c1ccc(C)cc1 ZINC000871881053 641497355 /nfs/dbraw/zinc/49/73/55/641497355.db2.gz FUPRKYDJVOKTME-HNNXBMFYSA-N 0 3 273.380 2.630 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000871938993 641518975 /nfs/dbraw/zinc/51/89/75/641518975.db2.gz JCVKZRCIPXYEOS-QGPMSJSTSA-N 0 3 296.414 2.788 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC(c3ccccc3)C2)cc1 ZINC000871988790 641544133 /nfs/dbraw/zinc/54/41/33/641544133.db2.gz RKIHOPGHXOLZPQ-GOSISDBHSA-N 0 3 278.355 2.691 20 30 CFEDHN C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc([O-])c1F ZINC000872079173 641612258 /nfs/dbraw/zinc/61/22/58/641612258.db2.gz VWTLSYGATVHDHX-MNOVXSKESA-N 0 3 253.317 2.509 20 30 CFEDHN CC(C)(C)c1ccc(CNC[C@@H](O)CC(C)(C)C#N)o1 ZINC000872234677 641711342 /nfs/dbraw/zinc/71/13/42/641711342.db2.gz WQSIWBGHHACMGI-LBPRGKRZSA-N 0 3 278.396 2.967 20 30 CFEDHN C[C@@H]1C(N=Nc2nccc3sccc32)CCN1C ZINC000872343432 641760204 /nfs/dbraw/zinc/76/02/04/641760204.db2.gz BIXHHFZGRZBQRP-SECBINFHSA-N 0 3 260.366 2.788 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000872966237 641972411 /nfs/dbraw/zinc/97/24/11/641972411.db2.gz LXXKHAWZVWDGPU-AWEZNQCLSA-N 0 3 293.455 2.928 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCC1(CC#N)CC1 ZINC000873120446 642018186 /nfs/dbraw/zinc/01/81/86/642018186.db2.gz ZRGMYWAIGPXRLW-UHFFFAOYSA-N 0 3 273.336 2.995 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000874863320 642535225 /nfs/dbraw/zinc/53/52/25/642535225.db2.gz OXFKXGCUTGZWTK-CZIWCDLHSA-N 0 3 284.403 2.670 20 30 CFEDHN CCCCCCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000875761740 642681583 /nfs/dbraw/zinc/68/15/83/642681583.db2.gz MMZFFLQTPGYPBV-CQSZACIVSA-N 0 3 269.433 2.692 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000876321337 642823689 /nfs/dbraw/zinc/82/36/89/642823689.db2.gz MEEFOGJSWFJIFJ-OAHLLOKOSA-N 0 3 293.455 2.857 20 30 CFEDHN C#CCCCCCCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000876535340 642909859 /nfs/dbraw/zinc/90/98/59/642909859.db2.gz NGGUUTSKXQRVFS-MRXNPFEDSA-N 0 3 299.480 2.859 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(C)c1C ZINC000876545197 642913553 /nfs/dbraw/zinc/91/35/53/642913553.db2.gz IGZYMOJRWNZFAE-NSHDSACASA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CCCC)CCCC ZINC000876546792 642914769 /nfs/dbraw/zinc/91/47/69/642914769.db2.gz WDSDKJZXTRWTDA-LBPRGKRZSA-N 0 3 260.809 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)cc(C)c1 ZINC000876547718 642915582 /nfs/dbraw/zinc/91/55/82/642915582.db2.gz XKWZNPHYKYWDOE-GFCCVEGCSA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCCCCCC1 ZINC000876547261 642915900 /nfs/dbraw/zinc/91/59/00/642915900.db2.gz NEKZKGBOLWAWAV-GFCCVEGCSA-N 0 3 258.793 2.685 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCCCCC ZINC000876549013 642916692 /nfs/dbraw/zinc/91/66/92/642916692.db2.gz YEAXAKZRSRMSBL-NWDGAFQWSA-N 0 3 260.809 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1c(C)cccc1C ZINC000876550204 642918725 /nfs/dbraw/zinc/91/87/25/642918725.db2.gz SLIHUCBDAAGBME-LLVKDONJSA-N 0 3 252.745 2.712 20 30 CFEDHN CC1(CN2CCN(c3cc(C#N)ccn3)CC2)CCCC1 ZINC000876562013 642924275 /nfs/dbraw/zinc/92/42/75/642924275.db2.gz NBVPDDHHXDKUDZ-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CC1(CN2CCN(c3ccc(C#N)cn3)CC2)CCCC1 ZINC000876565948 642926202 /nfs/dbraw/zinc/92/62/02/642926202.db2.gz RZBQKEJOLSEFER-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C(C)C)cs1 ZINC000876568007 642927573 /nfs/dbraw/zinc/92/75/73/642927573.db2.gz CWEXSDUIYZYRDX-MRVPVSSYSA-N 0 3 273.789 2.675 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1cccc(OC)c1 ZINC000876600967 642940535 /nfs/dbraw/zinc/94/05/35/642940535.db2.gz NOQWAECUONUAMG-ZDUSSCGKSA-N 0 3 282.771 2.518 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(C)C)C1CCCC1 ZINC000876601227 642941165 /nfs/dbraw/zinc/94/11/65/642941165.db2.gz YMPRKCFFYSVGHV-ZDUSSCGKSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C)c2ccccc21 ZINC000876603463 642942006 /nfs/dbraw/zinc/94/20/06/642942006.db2.gz SQIRIVDQFSMAQK-GXFFZTMASA-N 0 3 278.783 2.997 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC(CCC)CC1 ZINC000876618865 642948525 /nfs/dbraw/zinc/94/85/25/642948525.db2.gz HYNGHEKWDRSBPB-BPCQOVAHSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCC)Cc1ccccc1O ZINC000876632591 642951104 /nfs/dbraw/zinc/95/11/04/642951104.db2.gz LUUGMOOMENHRNN-CYBMUJFWSA-N 0 3 296.798 2.601 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000876633607 642951567 /nfs/dbraw/zinc/95/15/67/642951567.db2.gz CXKUUXWMBHXNBQ-LBPRGKRZSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC)Cc1ccccc1 ZINC000876643832 642956656 /nfs/dbraw/zinc/95/66/56/642956656.db2.gz OBPIXNQUMITDTH-LSDHHAIUSA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(SC)cc1 ZINC000876652882 642959119 /nfs/dbraw/zinc/95/91/19/642959119.db2.gz NEHNQDCQSNNSDQ-GFCCVEGCSA-N 0 3 284.812 2.841 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@](C)(CC)c1ccccc1 ZINC000876653730 642960257 /nfs/dbraw/zinc/96/02/57/642960257.db2.gz VBFIOGWKVDMBSH-DZGCQCFKSA-N 0 3 280.799 2.898 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H](SCC)C1 ZINC000876658901 642961543 /nfs/dbraw/zinc/96/15/43/642961543.db2.gz JCAIQHYVWQQCDA-NEPJUHHUSA-N 0 3 290.860 2.591 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H](SCC)C1 ZINC000876658904 642961995 /nfs/dbraw/zinc/96/19/95/642961995.db2.gz JCAIQHYVWQQCDA-VXGBXAGGSA-N 0 3 290.860 2.591 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2c(C)cccc21 ZINC000876664088 642962718 /nfs/dbraw/zinc/96/27/18/642962718.db2.gz MSBLTUDSZIUHDH-CYBMUJFWSA-N 0 3 278.783 2.744 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000876663262 642962859 /nfs/dbraw/zinc/96/28/59/642962859.db2.gz ZMQCNCXOQHFIKA-CQSZACIVSA-N 0 3 294.782 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000876669784 642965675 /nfs/dbraw/zinc/96/56/75/642965675.db2.gz YGMUYPLRWPGRDZ-CFVMTHIKSA-N 0 3 292.810 2.861 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@](C)(CCC)C1 ZINC000876670840 642966465 /nfs/dbraw/zinc/96/64/65/642966465.db2.gz RNUGBSMPOAZFLS-GXTWGEPZSA-N 0 3 272.820 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000876673965 642967071 /nfs/dbraw/zinc/96/70/71/642967071.db2.gz WNSCPZWLLUWKDR-BXUZGUMPSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1cccc(F)c1 ZINC000876673283 642967596 /nfs/dbraw/zinc/96/75/96/642967596.db2.gz VXXWVYPSSZURKJ-LBPRGKRZSA-N 0 3 284.762 2.647 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(OCC)cc1 ZINC000876674426 642968293 /nfs/dbraw/zinc/96/82/93/642968293.db2.gz KBXPEDWYYJPOJB-CYBMUJFWSA-N 0 3 282.771 2.518 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000876755742 642995754 /nfs/dbraw/zinc/99/57/54/642995754.db2.gz MKHZQPTXLCYWCL-NEPJUHHUSA-N 0 3 292.814 2.521 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(C(F)F)cc1 ZINC000876883379 643049644 /nfs/dbraw/zinc/04/96/44/643049644.db2.gz AHUQHGOTJRNVJM-LLVKDONJSA-N 0 3 288.725 2.710 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(F)c(OC)cc1C ZINC000876903628 643058833 /nfs/dbraw/zinc/05/88/33/643058833.db2.gz YVZDOXYQZZKLQQ-SNVBAGLBSA-N 0 3 286.734 2.551 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CCC2)c2ccccc21 ZINC000876910079 643061381 /nfs/dbraw/zinc/06/13/81/643061381.db2.gz RYYPFDLIKGUFCB-ZDUSSCGKSA-N 0 3 290.794 2.925 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C1CCC(F)(F)CC1 ZINC000876954498 643078766 /nfs/dbraw/zinc/07/87/66/643078766.db2.gz JKBZTGXOGQKRJB-MWLCHTKSSA-N 0 3 294.773 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc(C(C)C)c(C)s1 ZINC000876960404 643082475 /nfs/dbraw/zinc/08/24/75/643082475.db2.gz XYXFMFVXBVJPPF-SECBINFHSA-N 0 3 287.816 2.983 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1[C@H](c2ccccc2)C1(C)C ZINC000876993415 643097182 /nfs/dbraw/zinc/09/71/82/643097182.db2.gz FRDDSIGANINAIB-RDBSUJKOSA-N 0 3 292.810 2.765 20 30 CFEDHN C=C(Br)CN[C@@H](C)Cc1ccnc(OC)c1 ZINC000877019727 643099115 /nfs/dbraw/zinc/09/91/15/643099115.db2.gz DFEOZNYQNUSUAA-JTQLQIEISA-N 0 3 285.185 2.519 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC2CCSCC2)c1 ZINC000877023508 643108573 /nfs/dbraw/zinc/10/85/73/643108573.db2.gz UPNFYMIKFXOQIQ-UHFFFAOYSA-N 0 3 267.785 2.592 20 30 CFEDHN COC(C)(C)C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877063823 643129757 /nfs/dbraw/zinc/12/97/57/643129757.db2.gz KQOXMNYCJFDAOB-SNVBAGLBSA-N 0 3 281.787 2.900 20 30 CFEDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1cccc(C#N)n1 ZINC000877129499 643167901 /nfs/dbraw/zinc/16/79/01/643167901.db2.gz MTMQFCXYWULUTD-PXAZEXFGSA-N 0 3 299.349 2.694 20 30 CFEDHN C#CCCCCCCN1CCN(Cc2ccncc2)CC1 ZINC000877169239 643186388 /nfs/dbraw/zinc/18/63/88/643186388.db2.gz KZLPFPDFJQXYII-UHFFFAOYSA-N 0 3 285.435 2.783 20 30 CFEDHN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000088803669 650820799 /nfs/dbraw/zinc/82/07/99/650820799.db2.gz WASDDYCRAMHBMU-AWEZNQCLSA-N 0 3 295.298 2.799 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCC2(CC2)CC1 ZINC000877202316 643201355 /nfs/dbraw/zinc/20/13/55/643201355.db2.gz KXMYVLKPKDPDTG-GFCCVEGCSA-N 0 3 270.804 2.543 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000245541055 650821749 /nfs/dbraw/zinc/82/17/49/650821749.db2.gz NQMPIPIXIFMSEA-XJKSGUPXSA-N 0 3 274.364 2.588 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000877425776 643266754 /nfs/dbraw/zinc/26/67/54/643266754.db2.gz PEVSLGUCYQJLFP-GXSJLCMTSA-N 0 3 260.809 2.597 20 30 CFEDHN CSC1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877484979 643300664 /nfs/dbraw/zinc/30/06/64/643300664.db2.gz SQSOASRCKVBZCA-UHFFFAOYSA-N 0 3 267.785 2.592 20 30 CFEDHN CC(C)[C@@H](NCc1cccc(C#N)n1)[C@H](O)c1ccccc1 ZINC000877488727 643302888 /nfs/dbraw/zinc/30/28/88/643302888.db2.gz HTNFMGOJAKBLTR-QZTJIDSGSA-N 0 3 295.386 2.801 20 30 CFEDHN C#C[C@@H](CC)NCc1cn(C)nc1-c1cc(F)ccc1F ZINC000877513147 643319414 /nfs/dbraw/zinc/31/94/14/643319414.db2.gz MDRNANBPCRVYOK-ZDUSSCGKSA-N 0 3 289.329 2.867 20 30 CFEDHN CCC(CC)(CNCc1cc(C#N)cnc1Cl)OC ZINC000877547587 643348022 /nfs/dbraw/zinc/34/80/22/643348022.db2.gz BUMMIJVUKFUFOW-UHFFFAOYSA-N 0 3 281.787 2.901 20 30 CFEDHN CCOC(=O)N1CCC(C)(CNCC2(C#N)CCC2)CC1 ZINC000877594354 643386411 /nfs/dbraw/zinc/38/64/11/643386411.db2.gz QPULRHUFDMUUBB-UHFFFAOYSA-N 0 3 293.411 2.528 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2c3c(nn2C)CCCC3)C1 ZINC000877605141 643393219 /nfs/dbraw/zinc/39/32/19/643393219.db2.gz NSIINLHPPRGYTN-CQSZACIVSA-N 0 3 271.408 2.534 20 30 CFEDHN COC1CC(CCNCc2cc(C#N)cnc2Cl)C1 ZINC000877619527 643406386 /nfs/dbraw/zinc/40/63/86/643406386.db2.gz CMNNHVQPBHWEDK-UHFFFAOYSA-N 0 3 279.771 2.511 20 30 CFEDHN C#C[C@H](NCc1c(C)cccc1OC)C1CCOCC1 ZINC000877637237 643421282 /nfs/dbraw/zinc/42/12/82/643421282.db2.gz GFNNIVZWCLAYRV-INIZCTEOSA-N 0 3 273.376 2.522 20 30 CFEDHN N#C[C@H]1CC[C@H](N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000877700034 643461910 /nfs/dbraw/zinc/46/19/10/643461910.db2.gz YTDWLINBNKJZIJ-BPNCWPANSA-N 0 3 264.756 2.655 20 30 CFEDHN Cc1nn(C)c(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000877704598 643471051 /nfs/dbraw/zinc/47/10/51/643471051.db2.gz RMHJAQGNACSMKP-UHFFFAOYSA-N 0 3 282.391 2.583 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1ccc(F)cn1 ZINC000877705170 643471912 /nfs/dbraw/zinc/47/19/12/643471912.db2.gz URUBFDNIEWGVSA-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN Cc1cccc([O-])c1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000877767120 643545529 /nfs/dbraw/zinc/54/55/29/643545529.db2.gz WJNIALSKSHVTGN-MRXNPFEDSA-N 0 3 278.355 2.829 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877916902 643639687 /nfs/dbraw/zinc/63/96/87/643639687.db2.gz LOPMDJYKZPCELU-ULQDDVLXSA-N 0 3 270.376 2.948 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CC2(CCC2)CO1 ZINC000877917174 643640235 /nfs/dbraw/zinc/64/02/35/643640235.db2.gz PZURYQJZQKSZAI-INIZCTEOSA-N 0 3 270.376 2.949 20 30 CFEDHN C[C@H]1CCCN(CCCC#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000246201912 650859347 /nfs/dbraw/zinc/85/93/47/650859347.db2.gz MVLXZMAZIBULCC-KBPBESRZSA-N 0 3 295.427 2.915 20 30 CFEDHN CC(=O)[C@@](C#N)(CCN1CC[C@@H](C)C1)c1ccccc1 ZINC000878030751 643702465 /nfs/dbraw/zinc/70/24/65/643702465.db2.gz HDICOOVDVRDTBM-PBHICJAKSA-N 0 3 270.376 2.769 20 30 CFEDHN N#CCC1(CN2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000878188503 643784436 /nfs/dbraw/zinc/78/44/36/643784436.db2.gz KJSGMBLAOLYBLB-KBPBESRZSA-N 0 3 274.364 2.861 20 30 CFEDHN C#CCCCCCN(CCOC)Cc1cccnc1 ZINC000878474653 643908215 /nfs/dbraw/zinc/90/82/15/643908215.db2.gz CWQXVVKTGIVHKI-UHFFFAOYSA-N 0 3 260.381 2.724 20 30 CFEDHN C#CCCCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000878665698 643982903 /nfs/dbraw/zinc/98/29/03/643982903.db2.gz LLUGRKGXJHXCOL-QZTJIDSGSA-N 0 3 289.394 2.980 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000878694903 643994248 /nfs/dbraw/zinc/99/42/48/643994248.db2.gz BLNDUSSHOQHNPP-LBPRGKRZSA-N 0 3 294.420 2.621 20 30 CFEDHN CN(C[C@](C)(O)c1ccccc1)CC1(CC#N)CC1 ZINC000878728332 644009283 /nfs/dbraw/zinc/00/92/83/644009283.db2.gz LPCINVJDJZHFEU-HNNXBMFYSA-N 0 3 258.365 2.520 20 30 CFEDHN C#CCCN1CCN([C@H](C)c2cccc(C)c2)CC1 ZINC000127337675 644027410 /nfs/dbraw/zinc/02/74/10/644027410.db2.gz HDRGMKDGOXBGDJ-MRXNPFEDSA-N 0 3 256.393 2.697 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)ccn1 ZINC000879244853 644190219 /nfs/dbraw/zinc/19/02/19/644190219.db2.gz UANFAARGGRACDI-ROUUACIJSA-N 0 3 293.370 2.651 20 30 CFEDHN CC(C)(NCC#Cc1ccccc1)[C@H]1CCCCO1 ZINC000879406462 644258277 /nfs/dbraw/zinc/25/82/77/644258277.db2.gz OAXNIAIXOHGBLG-MRXNPFEDSA-N 0 3 257.377 2.975 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566183 644326811 /nfs/dbraw/zinc/32/68/11/644326811.db2.gz STKOOQRSDRLEPP-CVEARBPZSA-N 0 3 257.402 2.723 20 30 CFEDHN C=C(Br)CNC(C)(C)C(O)(CC)CC ZINC000879698672 644387467 /nfs/dbraw/zinc/38/74/67/644387467.db2.gz SXFIMBZXAXAZGA-UHFFFAOYSA-N 0 3 264.207 2.814 20 30 CFEDHN C=C(CC)CN1CCc2ccc(NC(C)=O)cc2C1 ZINC000880032170 644508166 /nfs/dbraw/zinc/50/81/66/644508166.db2.gz YXYIASRBGAFSLD-UHFFFAOYSA-N 0 3 258.365 2.969 20 30 CFEDHN C[C@H]1CN(CCCSCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059292 644516386 /nfs/dbraw/zinc/51/63/86/644516386.db2.gz IJZQLHLQSRYABZ-QWRGUYRKSA-N 0 3 296.358 2.675 20 30 CFEDHN C[C@@H](NCCO[C@@H](C)C#N)c1ccc(C(F)(F)F)nc1 ZINC000880098778 644531761 /nfs/dbraw/zinc/53/17/61/644531761.db2.gz SONXNPSOIUTNBB-VHSXEESVSA-N 0 3 287.285 2.680 20 30 CFEDHN C=CCOCCN1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880249155 644612253 /nfs/dbraw/zinc/61/22/53/644612253.db2.gz ADDSOESEEIIGHL-INIZCTEOSA-N 0 3 274.408 2.568 20 30 CFEDHN C=CCCC[C@@H](NCC(=O)NCC=C)c1ccccc1 ZINC000880389422 644685360 /nfs/dbraw/zinc/68/53/60/644685360.db2.gz UDCOXNBYRYBQTO-MRXNPFEDSA-N 0 3 272.392 2.976 20 30 CFEDHN COCC#CCN1CCCSC[C@@H]1c1ccccc1 ZINC000880388646 644685603 /nfs/dbraw/zinc/68/56/03/644685603.db2.gz SLUZRGZDTWRXGN-MRXNPFEDSA-N 0 3 275.417 2.816 20 30 CFEDHN CC[C@H](NCc1cccc(F)c1C#N)[C@@H]1CCCOC1 ZINC000880470518 644725758 /nfs/dbraw/zinc/72/57/58/644725758.db2.gz OHPJZCVFMXINPF-CJNGLKHVSA-N 0 3 276.355 2.992 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccccc2OC(C)C)CC1 ZINC000880479398 644730642 /nfs/dbraw/zinc/73/06/42/644730642.db2.gz PLCFODLDQCFRSY-UHFFFAOYSA-N 0 3 287.403 2.824 20 30 CFEDHN Cc1nc(C#N)cc(NC[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC000881757459 645123485 /nfs/dbraw/zinc/12/34/85/645123485.db2.gz WCVYCJAMLJRIIF-HNNXBMFYSA-N 0 3 299.353 2.511 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc(C(C)C)c[nH]1 ZINC000883109915 645607903 /nfs/dbraw/zinc/60/79/03/645607903.db2.gz IWFLWDUOFFNYMO-IUODEOHRSA-N 0 3 263.385 2.604 20 30 CFEDHN C#CC[C@@H](CO)NCc1cc(-c2ccccc2)ccc1OC ZINC000883123552 645613437 /nfs/dbraw/zinc/61/34/37/645613437.db2.gz BJWNDDMDFXNQEA-SFHVURJKSA-N 0 3 295.382 2.836 20 30 CFEDHN C=CCC[C@H](NCc1cn2ccccc2n1)[C@H]1CCCO1 ZINC000883167216 645635199 /nfs/dbraw/zinc/63/51/99/645635199.db2.gz SNFUGPDVSNKFQT-JKSUJKDBSA-N 0 3 285.391 2.938 20 30 CFEDHN C=CCC[C@H](COc1ccccc1)NCC(=O)NC(C)C ZINC000883167421 645636627 /nfs/dbraw/zinc/63/66/27/645636627.db2.gz YDTASEXGKQGSTR-OAHLLOKOSA-N 0 3 290.407 2.514 20 30 CFEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nncn1CC ZINC000883173387 645640066 /nfs/dbraw/zinc/64/00/66/645640066.db2.gz JWOXTPJADZAPLU-INIZCTEOSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCC[C@@H](NCc1ncccc1OC)[C@@H]1CCCO1 ZINC000883226998 645677023 /nfs/dbraw/zinc/67/70/23/645677023.db2.gz JLNXKBBBSCMOLP-CJNGLKHVSA-N 0 3 276.380 2.694 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000883391815 645791257 /nfs/dbraw/zinc/79/12/57/645791257.db2.gz SDGUPKKPTRJHGE-JQWIXIFHSA-N 0 3 299.212 2.822 20 30 CFEDHN C[C@H]1CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)[C@@H](C)CN1 ZINC000883585293 645899396 /nfs/dbraw/zinc/89/93/96/645899396.db2.gz LDYNHOVYXOHHIR-RYUDHWBXSA-N 0 3 298.390 2.650 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000133924967 646256242 /nfs/dbraw/zinc/25/62/42/646256242.db2.gz GZFQHDITMGSPIW-ZIAGYGMSSA-N 0 3 280.412 2.635 20 30 CFEDHN CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)C(C)C#N)C1 ZINC000884779940 646550044 /nfs/dbraw/zinc/55/00/44/646550044.db2.gz OSTRGIRJNMYXFT-MLGOLLRUSA-N 0 3 294.395 2.507 20 30 CFEDHN CN(Cc1ccc(F)c(F)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885952194 646780337 /nfs/dbraw/zinc/78/03/37/646780337.db2.gz ZAVKQSDRGMISPW-ZDUSSCGKSA-N 0 3 294.345 2.841 20 30 CFEDHN C[C@@H]1CC(F)(F)CCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000886300751 646958851 /nfs/dbraw/zinc/95/88/51/646958851.db2.gz OVJBKIUNQXWRQN-NEPJUHHUSA-N 0 3 272.339 2.551 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000886353290 646982857 /nfs/dbraw/zinc/98/28/57/646982857.db2.gz GBPCIOWRUQPSNH-JKSUJKDBSA-N 0 3 284.403 2.551 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000886354154 646983250 /nfs/dbraw/zinc/98/32/50/646983250.db2.gz XIYYMRDLDXLVDZ-IKGGRYGDSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000886359380 646986072 /nfs/dbraw/zinc/98/60/72/646986072.db2.gz BERNOQDSTDHHFZ-OAHLLOKOSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000886365196 646988581 /nfs/dbraw/zinc/98/85/81/646988581.db2.gz BUDNVIFGOPIXHI-LBPRGKRZSA-N 0 3 291.778 2.972 20 30 CFEDHN C#CCC1(NCc2nc3c(s2)CCCC3)CCOCC1 ZINC000886378826 646993031 /nfs/dbraw/zinc/99/30/31/646993031.db2.gz CJHWZJSSDCYIEU-UHFFFAOYSA-N 0 3 290.432 2.684 20 30 CFEDHN C#CCN(C(=O)[C@H]1CCC[C@H]1CCC)C1CCN(C)CC1 ZINC000886575947 647052664 /nfs/dbraw/zinc/05/26/64/647052664.db2.gz PYBWMJGUFGKBSS-WBVHZDCISA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)c1csc(Cl)c1)C1CCN(C)CC1 ZINC000886577814 647053000 /nfs/dbraw/zinc/05/30/00/647053000.db2.gz YHLBBQVUWJURSZ-UHFFFAOYSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)C1CCN(C)CC1 ZINC000886577509 647053385 /nfs/dbraw/zinc/05/33/85/647053385.db2.gz KZRNJMNMQQMMCF-DOTOQJQBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)C[C@H](C)c1ccccc1)C1CCN(C)CC1 ZINC000886589507 647057688 /nfs/dbraw/zinc/05/76/88/647057688.db2.gz XSCGGVGKYIBQIC-INIZCTEOSA-N 0 3 298.430 2.736 20 30 CFEDHN CCN1CC[C@@H]1C/N=C/c1cc(Br)ccc1O ZINC000887270814 647254914 /nfs/dbraw/zinc/25/49/14/647254914.db2.gz URPZZVZLBHWZGR-AZZDOICSSA-N 0 3 297.196 2.668 20 30 CFEDHN CCN1CC[C@H]1C/N=C\c1cc(Br)ccc1O ZINC000887270815 647255077 /nfs/dbraw/zinc/25/50/77/647255077.db2.gz URPZZVZLBHWZGR-IYVNWDGISA-N 0 3 297.196 2.668 20 30 CFEDHN CC#CC(=O)N(CCC)C1CCN(Cc2ccccc2)CC1 ZINC000889489352 647581937 /nfs/dbraw/zinc/58/19/37/647581937.db2.gz GSOWDPCCIZRSSR-UHFFFAOYSA-N 0 3 298.430 2.913 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cccnc1N(C)C ZINC000924655553 648020250 /nfs/dbraw/zinc/02/02/50/648020250.db2.gz AKVKOAHYLYSERL-LBPRGKRZSA-N 0 3 260.385 2.566 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(C(=O)NC2CC2)c1 ZINC000924838134 648056131 /nfs/dbraw/zinc/05/61/31/648056131.db2.gz PDYKDRJPIHEHPT-CYBMUJFWSA-N 0 3 299.418 2.997 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)N1CCCC[C@@H]1C ZINC000924909905 648071022 /nfs/dbraw/zinc/07/10/22/648071022.db2.gz ROTNEMCJHYKTAV-HZSPNIEDSA-N 0 3 279.428 2.694 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)CCCCC1 ZINC000925339632 648156570 /nfs/dbraw/zinc/15/65/70/648156570.db2.gz HKJOPTQAMOISPS-ZIAGYGMSSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cccc2c1OCO2 ZINC000925631749 648250855 /nfs/dbraw/zinc/25/08/55/648250855.db2.gz JHXMAEQWZMDBEW-GFCCVEGCSA-N 0 3 263.337 2.659 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H]1CCCc2oc(C)nc21 ZINC000926344411 648468164 /nfs/dbraw/zinc/46/81/64/648468164.db2.gz WKGRMJYWCKBZOQ-WWGRRREGSA-N 0 3 276.380 2.931 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1cnn(C2CCC2)c1 ZINC000926347303 648468960 /nfs/dbraw/zinc/46/89/60/648468960.db2.gz YSGQIUAIBWUXHQ-GFCCVEGCSA-N 0 3 258.369 2.953 20 30 CFEDHN C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926862135 648637446 /nfs/dbraw/zinc/63/74/46/648637446.db2.gz FKLYBIYQQIRQKA-GWCFXTLKSA-N 0 3 253.317 2.509 20 30 CFEDHN Cc1cc(CCN[C@H](C)c2ccc(C#N)cc2F)nn1C ZINC000926910776 648653833 /nfs/dbraw/zinc/65/38/33/648653833.db2.gz MAIYYVAJNDKPBI-GFCCVEGCSA-N 0 3 286.354 2.633 20 30 CFEDHN Cc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1C#N ZINC000926966876 648674559 /nfs/dbraw/zinc/67/45/59/648674559.db2.gz NFUBTNRKDMCZFN-INIZCTEOSA-N 0 3 280.375 2.767 20 30 CFEDHN N#CC1(CCCCN2CC[C@@](O)(C(F)(F)F)C2)CCC1 ZINC000929798733 649125759 /nfs/dbraw/zinc/12/57/59/649125759.db2.gz JCNKPNHGFPXYIH-ZDUSSCGKSA-N 0 3 290.329 2.850 20 30 CFEDHN N#CC[C@@H](O)CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000929890188 649145191 /nfs/dbraw/zinc/14/51/91/649145191.db2.gz QSFVRVGLGCESAS-NVXWUHKLSA-N 0 3 270.376 2.803 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cncc(C#N)c1 ZINC000930035399 649171730 /nfs/dbraw/zinc/17/17/30/649171730.db2.gz LZSOWSLOTTVBNY-HZPDHXFCSA-N 0 3 287.407 2.979 20 30 CFEDHN Cc1cccc([C@@H](NC[C@H](O)CC#N)C(C)(C)C)c1 ZINC000930230175 649210600 /nfs/dbraw/zinc/21/06/00/649210600.db2.gz RFBCBKYNGYCMBF-HUUCEWRRSA-N 0 3 260.381 2.946 20 30 CFEDHN N#CC[C@@H](O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000930245472 649213175 /nfs/dbraw/zinc/21/31/75/649213175.db2.gz QFQJKEMMFXAHKV-CVEARBPZSA-N 0 3 258.365 2.782 20 30 CFEDHN N#CC[C@@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000930451020 649250168 /nfs/dbraw/zinc/25/01/68/649250168.db2.gz QPPDPVDBROOSRU-YYIAUSFCSA-N 0 3 270.376 2.529 20 30 CFEDHN C[C@@H](NC[C@H](O)CC#N)c1ccc(F)c2ccccc21 ZINC000930496836 649261104 /nfs/dbraw/zinc/26/11/04/649261104.db2.gz SVUBRBMKJVGSNH-VXGBXAGGSA-N 0 3 272.323 2.904 20 30 CFEDHN N#CC1(CCCCN2CCc3nc[nH]c3C2)CCC1 ZINC000930515945 649265317 /nfs/dbraw/zinc/26/53/17/649265317.db2.gz SGTSZKSXFIBAMB-UHFFFAOYSA-N 0 3 258.369 2.632 20 30 CFEDHN C[C@H](NCc1cncc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000930562176 649274888 /nfs/dbraw/zinc/27/48/88/649274888.db2.gz XHBHXUSFHVLGSE-MEDUHNTESA-N 0 3 299.399 2.807 20 30 CFEDHN COC(=O)/C=C(/C)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000930763976 649322278 /nfs/dbraw/zinc/32/22/78/649322278.db2.gz IIIFTBDEQWBVSU-LLBKUYECSA-N 0 3 272.348 2.670 20 30 CFEDHN N#CC[C@H]1CCCN(CCSc2ccncc2)C1 ZINC000930925748 649351421 /nfs/dbraw/zinc/35/14/21/649351421.db2.gz WFZDTIBUUKUTKZ-CYBMUJFWSA-N 0 3 261.394 2.799 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000931026198 649367414 /nfs/dbraw/zinc/36/74/14/649367414.db2.gz SDLFQGXJZFIJDK-DLBZAZTESA-N 0 3 285.391 2.734 20 30 CFEDHN Cc1nc(CC2CCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000932242858 649567658 /nfs/dbraw/zinc/56/76/58/649567658.db2.gz PHOXOURCNSQNBW-UHFFFAOYSA-N 0 3 296.374 2.704 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc(Br)cc1)C(C)C ZINC000932383663 649589818 /nfs/dbraw/zinc/58/98/18/649589818.db2.gz KGUKDGWLUVGYDJ-CQSZACIVSA-N 0 3 296.208 2.826 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(F)cc2C)C1=O ZINC000932560121 649619429 /nfs/dbraw/zinc/61/94/29/649619429.db2.gz QZLMFLKEIJHQSM-IUODEOHRSA-N 0 3 276.355 2.572 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(O)(C2CCC2)CC1 ZINC000932816843 649645965 /nfs/dbraw/zinc/64/59/65/649645965.db2.gz AMUMFPNBUJFJNA-UHFFFAOYSA-N 0 3 284.403 2.994 20 30 CFEDHN CCC1(CC)CNC(=O)[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000933288856 649685016 /nfs/dbraw/zinc/68/50/16/649685016.db2.gz MFBQORLGBZFRDY-WFASDCNBSA-N 0 3 285.391 2.514 20 30 CFEDHN CCC1(CC)CNC(=O)[C@@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000933286467 649685184 /nfs/dbraw/zinc/68/51/84/649685184.db2.gz BEXXSZKXFMLXLD-WFASDCNBSA-N 0 3 285.391 2.514 20 30 CFEDHN CC1(C)CCN(CC(=O)NCCC#N)C[C@H]1c1ccccc1 ZINC000933523464 649699092 /nfs/dbraw/zinc/69/90/92/649699092.db2.gz ZOZAZKUFPDOTLX-INIZCTEOSA-N 0 3 299.418 2.532 20 30 CFEDHN Cc1noc(C[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000933572299 649702660 /nfs/dbraw/zinc/70/26/60/649702660.db2.gz HGBYZTSBMVYGMU-MRXNPFEDSA-N 0 3 296.374 2.704 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933674882 649713265 /nfs/dbraw/zinc/71/32/65/649713265.db2.gz DVYODWGMGISXAZ-CABCVRRESA-N 0 3 280.412 2.586 20 30 CFEDHN Cc1cnccc1CCN(C)Cc1cc(C#N)cs1 ZINC000933771568 649720694 /nfs/dbraw/zinc/72/06/94/649720694.db2.gz SUXXHAUMOVCSGJ-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@H](O)CC1CCCC1 ZINC000933772099 649721156 /nfs/dbraw/zinc/72/11/56/649721156.db2.gz MRUJASUBOPRDOL-CQSZACIVSA-N 0 3 278.421 2.993 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C#N)cc2C2CC2)CCN1C ZINC000933857841 649725883 /nfs/dbraw/zinc/72/58/83/649725883.db2.gz DEKQANKVSXHOIU-ABAIWWIYSA-N 0 3 298.390 2.650 20 30 CFEDHN N#CCSCCCN(Cc1ccoc1)C1CC1 ZINC000934004470 649740918 /nfs/dbraw/zinc/74/09/18/649740918.db2.gz MEKCTBZTXGZTOL-UHFFFAOYSA-N 0 3 250.367 2.891 20 30 CFEDHN C=C(CC)CN1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933976187 649737965 /nfs/dbraw/zinc/73/79/65/649737965.db2.gz NFTNMPYKCKIMSB-CQSZACIVSA-N 0 3 265.426 2.866 20 30 CFEDHN N#CCC1(CNC2(c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000934000993 649739916 /nfs/dbraw/zinc/73/99/16/649739916.db2.gz VNFVLDSTPAGLBI-UHFFFAOYSA-N 0 3 284.359 2.730 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934347956 649778630 /nfs/dbraw/zinc/77/86/30/649778630.db2.gz APECQQAXUSAKET-XJKSGUPXSA-N 0 3 276.380 2.554 20 30 CFEDHN C=CC[C@H]1CCN1C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000934458644 649787942 /nfs/dbraw/zinc/78/79/42/649787942.db2.gz BOLOAUQPZDMCTD-DZGCQCFKSA-N 0 3 278.396 2.790 20 30 CFEDHN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000934473058 649791872 /nfs/dbraw/zinc/79/18/72/649791872.db2.gz WJOVYUISYUORDC-GOEBONIOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCCCN(CC)CC(=O)N1CCc2sccc2C1 ZINC000934650588 649812260 /nfs/dbraw/zinc/81/22/60/649812260.db2.gz MTKIKBRRZPJNOP-UHFFFAOYSA-N 0 3 292.448 2.921 20 30 CFEDHN CSCC(C)(C)NCc1cccc(C#N)c1F ZINC000934667621 649813782 /nfs/dbraw/zinc/81/37/82/649813782.db2.gz OQQKPNDCYGUYNU-UHFFFAOYSA-N 0 3 252.358 2.929 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2CCCC#N)C1 ZINC000934733262 649821860 /nfs/dbraw/zinc/82/18/60/649821860.db2.gz IWGRNAXRCNIJKR-INIZCTEOSA-N 0 3 293.411 2.766 20 30 CFEDHN N#CCC[C@H](C#N)CN1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934842642 649841374 /nfs/dbraw/zinc/84/13/74/649841374.db2.gz NMYCWUXMTYXREQ-BZUAXINKSA-N 0 3 275.396 2.569 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007397842 651134115 /nfs/dbraw/zinc/13/41/15/651134115.db2.gz VPCCYTONNVYOLG-INIZCTEOSA-N 0 3 296.370 2.650 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001007502041 651135767 /nfs/dbraw/zinc/13/57/67/651135767.db2.gz FQWSSDSWKXDMOT-CYBMUJFWSA-N 0 3 294.345 2.735 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001007687875 651137839 /nfs/dbraw/zinc/13/78/39/651137839.db2.gz PJDGWUDFMITGDW-CYBMUJFWSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2csc(C)n2)C1 ZINC001008300982 651146633 /nfs/dbraw/zinc/14/66/33/651146633.db2.gz XLTWJJPOBDTWQB-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008391722 651147387 /nfs/dbraw/zinc/14/73/87/651147387.db2.gz DDDNOYZGGGWFPO-OAHLLOKOSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001008678565 651152347 /nfs/dbraw/zinc/15/23/47/651152347.db2.gz CCGFTYUKIUMQLT-QGZVFWFLSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001009261901 651158036 /nfs/dbraw/zinc/15/80/36/651158036.db2.gz BIGWRUZVYQEVQU-WBVHZDCISA-N 0 3 286.419 2.947 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001015444267 651201471 /nfs/dbraw/zinc/20/14/71/651201471.db2.gz ABUKNIBLTXKROM-CQSZACIVSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015687693 651209304 /nfs/dbraw/zinc/20/93/04/651209304.db2.gz RNCLHIFZPRHTQH-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001015794930 651214188 /nfs/dbraw/zinc/21/41/88/651214188.db2.gz PDPXGBXJSUSMOE-SNVBAGLBSA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001015869573 651216693 /nfs/dbraw/zinc/21/66/93/651216693.db2.gz XMWRCJGYPDIYRI-KBPBESRZSA-N 0 3 290.382 2.696 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015993938 651220052 /nfs/dbraw/zinc/22/00/52/651220052.db2.gz BVWGGMYUIXUGGM-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001016299207 651229607 /nfs/dbraw/zinc/22/96/07/651229607.db2.gz XDRZVSUKRPONBG-CZUORRHYSA-N 0 3 290.382 2.696 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001016316944 651230192 /nfs/dbraw/zinc/23/01/92/651230192.db2.gz SPQKSTNAZGNUSA-HZPDHXFCSA-N 0 3 286.419 2.865 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016374780 651232187 /nfs/dbraw/zinc/23/21/87/651232187.db2.gz VXDQEXYLKZIUMK-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001016385951 651232886 /nfs/dbraw/zinc/23/28/86/651232886.db2.gz ZYGLFHIGHHQESC-DAWZGUTISA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001017345478 651250474 /nfs/dbraw/zinc/25/04/74/651250474.db2.gz BNYRQLPWBZXYPF-ZACQAIPSSA-N 0 3 288.435 2.984 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC001019158196 651279921 /nfs/dbraw/zinc/27/99/21/651279921.db2.gz BTYJHEBAPHFIHS-INIZCTEOSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001019192901 651280482 /nfs/dbraw/zinc/28/04/82/651280482.db2.gz RUHQCVHHFXCFHP-HNNXBMFYSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CC2CCCC2)C(C)C)C1 ZINC001019460061 651285658 /nfs/dbraw/zinc/28/56/58/651285658.db2.gz NXNZTCMOVFGNAH-DLBZAZTESA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C2CCC(CCCC)CC2)C1 ZINC001019742425 651290652 /nfs/dbraw/zinc/29/06/52/651290652.db2.gz KDOZMDYPNCNOJQ-JCYILVPMSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001020284131 651300484 /nfs/dbraw/zinc/30/04/84/651300484.db2.gz RJCKLAQDGRHGPM-MGPQQGTHSA-N 0 3 282.815 2.722 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085866739 782189965 /nfs/dbraw/zinc/18/99/65/782189965.db2.gz RBXIJVXEFSLXBB-OWCLPIDISA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001086130630 782269000 /nfs/dbraw/zinc/26/90/00/782269000.db2.gz UEHNOGVOCVIDPU-QMIVOQANSA-N 0 3 296.842 2.660 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccc(OC)cc1Cl ZINC001266340402 769985643 /nfs/dbraw/zinc/98/56/43/769985643.db2.gz WUGUYXYUTIXOHW-UHFFFAOYSA-N 0 3 296.798 2.586 20 30 CFEDHN C=CCN(C)[C@H](C)CNC(=O)c1sc(C2CC2)nc1C ZINC001282390223 769903501 /nfs/dbraw/zinc/90/35/01/769903501.db2.gz FDFNQDWQGRUNPN-SNVBAGLBSA-N 0 3 293.436 2.565 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H]1CN1CCC[C@@H](C#N)CC1 ZINC001208996155 769969500 /nfs/dbraw/zinc/96/95/00/769969500.db2.gz BLMXPAOCLNVQHY-ZIAGYGMSSA-N 0 3 293.411 2.621 20 30 CFEDHN C=CCCCCCCCN1CCCN(C)C(=O)C1 ZINC001209439800 770090852 /nfs/dbraw/zinc/09/08/52/770090852.db2.gz ZNUKMNNNPSBVDB-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN C=C(C)CN1CCC(N(CCC)C(=O)CCOCC)CC1 ZINC001266384359 770056250 /nfs/dbraw/zinc/05/62/50/770056250.db2.gz FWKGREIVILNCQX-UHFFFAOYSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCCCCCCCN1CCN(CC(=O)OCC)CC1 ZINC001209438899 770091324 /nfs/dbraw/zinc/09/13/24/770091324.db2.gz XDBQAEZYSODJMD-UHFFFAOYSA-N 0 3 296.455 2.694 20 30 CFEDHN C=CCCCCCCCN1Cc2ccnn2CC[C@H]1CO ZINC001209441849 770093646 /nfs/dbraw/zinc/09/36/46/770093646.db2.gz LDXKCSYKUISTSK-KRWDZBQOSA-N 0 3 291.439 2.976 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)CCCC(C)C ZINC001167222518 770155848 /nfs/dbraw/zinc/15/58/48/770155848.db2.gz KYNYESKIKRPFQQ-UHFFFAOYSA-N 0 3 260.809 2.661 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)=C(C)C ZINC001266491528 770205427 /nfs/dbraw/zinc/20/54/27/770205427.db2.gz RWJIRPUXGNVSBL-IYBDPMFKSA-N 0 3 276.424 2.984 20 30 CFEDHN C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001039196153 770300777 /nfs/dbraw/zinc/30/07/77/770300777.db2.gz SKJDBLCWSCYMFY-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C[C@@H](CC)c2ccc(C)cc2)C1 ZINC001266549685 770313178 /nfs/dbraw/zinc/31/31/78/770313178.db2.gz BPYAAXDZKMPZFC-AEFFLSMTSA-N 0 3 298.430 2.702 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC001266570056 770354118 /nfs/dbraw/zinc/35/41/18/770354118.db2.gz XSWZWTQUOAQWDI-AWEZNQCLSA-N 0 3 296.370 2.569 20 30 CFEDHN C=C[C@H](C(=O)NCCN(CC#CC)CCC)c1ccccc1 ZINC001266579485 770372229 /nfs/dbraw/zinc/37/22/29/770372229.db2.gz QNDKKMFHHRZVBS-SFHVURJKSA-N 0 3 298.430 2.808 20 30 CFEDHN C=C(C)CN(CCNC(=O)[C@]1(C)CC=CCC1)C1CC1 ZINC001266594329 770397407 /nfs/dbraw/zinc/39/74/07/770397407.db2.gz JCBOWANOGZRVRP-QGZVFWFLSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266764164 770591663 /nfs/dbraw/zinc/59/16/63/770591663.db2.gz MBJAICGLDVAPEI-CVEARBPZSA-N 0 3 278.440 2.520 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCC1CC1 ZINC001266837164 770664105 /nfs/dbraw/zinc/66/41/05/770664105.db2.gz KFUJJYKRBURCKP-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001266853980 770676948 /nfs/dbraw/zinc/67/69/48/770676948.db2.gz XQVBFLCQDPDVMN-MRXNPFEDSA-N 0 3 290.451 2.951 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1ccsc1 ZINC001266961555 770772154 /nfs/dbraw/zinc/77/21/54/770772154.db2.gz KQBDSRRTEWWTTG-LLVKDONJSA-N 0 3 266.410 2.555 20 30 CFEDHN N#Cc1cncc(CN2CC[C@H](C3CCCC3)C2)c1 ZINC000721499911 770800267 /nfs/dbraw/zinc/80/02/67/770800267.db2.gz JWTFVLFQNUJYNW-INIZCTEOSA-N 0 3 255.365 2.965 20 30 CFEDHN C#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@H](F)CC ZINC001279555519 770806286 /nfs/dbraw/zinc/80/62/86/770806286.db2.gz NMFLIEQAGNFNPO-OAGGEKHMSA-N 0 3 294.414 2.603 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](N(C)CC#CC)C1 ZINC001267110829 770911392 /nfs/dbraw/zinc/91/13/92/770911392.db2.gz JJFLTTLDCWOHPC-JKSUJKDBSA-N 0 3 276.424 2.535 20 30 CFEDHN C=C(Cl)CNCC1(CCNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001167577135 770926688 /nfs/dbraw/zinc/92/66/88/770926688.db2.gz FCNNIHLLRLNMRA-KGLIPLIRSA-N 0 3 298.858 2.907 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1cc(C)no1 ZINC001267146949 770939863 /nfs/dbraw/zinc/93/98/63/770939863.db2.gz ZUAKMIZKSKUKPW-GFCCVEGCSA-N 0 3 293.411 2.570 20 30 CFEDHN CC#CCN1CC=C(CCNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001161397651 770987892 /nfs/dbraw/zinc/98/78/92/770987892.db2.gz CNINCSYKHGUQJO-RDJZCZTQSA-N 0 3 288.435 2.584 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)CCCc1ccccc1 ZINC001267214204 773215607 /nfs/dbraw/zinc/21/56/07/773215607.db2.gz ONXVRFFDDRTDCV-UHFFFAOYSA-N 0 3 274.408 2.633 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)CC(C)(C)c1ccccc1 ZINC001267233825 773237098 /nfs/dbraw/zinc/23/70/98/773237098.db2.gz ZCSGXXXLPDACIH-UHFFFAOYSA-N 0 3 288.435 2.978 20 30 CFEDHN C=CCN(CC)CCNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001267244702 773255217 /nfs/dbraw/zinc/25/52/17/773255217.db2.gz NDPCYZQTMRZIIO-LBPRGKRZSA-N 0 3 296.361 2.692 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CC(CC)CC ZINC001276950580 775125477 /nfs/dbraw/zinc/12/54/77/775125477.db2.gz YBSBTGMUZHJOMA-OAHLLOKOSA-N 0 3 266.429 2.969 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001224418137 775180034 /nfs/dbraw/zinc/18/00/34/775180034.db2.gz HCQXGORKFSRMAQ-MAUKXSAKSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)C1CCC=CCC1 ZINC001267320603 775201780 /nfs/dbraw/zinc/20/17/80/775201780.db2.gz POQODWCFQVEYSR-UHFFFAOYSA-N 0 3 276.424 2.584 20 30 CFEDHN CC(C)CCN1CC[C@@H]1CNC(=O)CC#Cc1ccccc1 ZINC001276980547 775217160 /nfs/dbraw/zinc/21/71/60/775217160.db2.gz VCAMSSNXIYXPHF-GOSISDBHSA-N 0 3 298.430 2.665 20 30 CFEDHN COc1ccc(CN2C[C@@H]3CCC[C@H]3C2)c(C#N)c1 ZINC001137698068 775224304 /nfs/dbraw/zinc/22/43/04/775224304.db2.gz IHGRCYQYYWLHJK-STQMWFEESA-N 0 3 256.349 2.799 20 30 CFEDHN CCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001224617929 775228451 /nfs/dbraw/zinc/22/84/51/775228451.db2.gz YWYFIUROPVNCPG-CFVMTHIKSA-N 0 3 253.386 2.778 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C=C(C)C ZINC001224638740 775235217 /nfs/dbraw/zinc/23/52/17/775235217.db2.gz QBOOMUAEDDDERP-CHWSQXEVSA-N 0 3 270.804 2.722 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000693905433 775246380 /nfs/dbraw/zinc/24/63/80/775246380.db2.gz FCAWUNQZKQPPQR-VIFPVBQESA-N 0 3 294.380 2.813 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)CCNCc1cccnc1C ZINC001267378170 775284457 /nfs/dbraw/zinc/28/44/57/775284457.db2.gz LLTHIJZWMMWFIF-UHFFFAOYSA-N 0 3 289.423 2.540 20 30 CFEDHN C#CCCN[C@H](CNC(=O)C[C@H](C)C1CC1)c1ccccc1 ZINC001267381543 775293988 /nfs/dbraw/zinc/29/39/88/775293988.db2.gz DDJSGZYKTLEIDL-MAUKXSAKSA-N 0 3 298.430 2.893 20 30 CFEDHN CCCCc1ccc(CO[C@@H]2CNC[C@H]2C#N)cc1 ZINC001217830668 775307654 /nfs/dbraw/zinc/30/76/54/775307654.db2.gz HLIBHSRARNCMMD-HZPDHXFCSA-N 0 3 258.365 2.657 20 30 CFEDHN CC#CCN1CCC(CNC(=O)CC[C@@H](C)CC)CC1 ZINC001224940221 775311935 /nfs/dbraw/zinc/31/19/35/775311935.db2.gz KLHIMYNIWNFXGX-HNNXBMFYSA-N 0 3 278.440 2.664 20 30 CFEDHN N#CC1(CO[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001224949323 775314043 /nfs/dbraw/zinc/31/40/43/775314043.db2.gz ADXXUIKFHSHCKI-INIZCTEOSA-N 0 3 270.376 2.971 20 30 CFEDHN C#CCNCCN(C)C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001267427167 775324123 /nfs/dbraw/zinc/32/41/23/775324123.db2.gz GPILPXYGCINIMW-MRXNPFEDSA-N 0 3 286.419 2.560 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001224997621 775329278 /nfs/dbraw/zinc/32/92/78/775329278.db2.gz MNQRJCAKUYXEBE-GJZGRUSLSA-N 0 3 278.440 2.520 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C(C)(C)CC(C)C)CC1 ZINC001225119621 775353461 /nfs/dbraw/zinc/35/34/61/775353461.db2.gz KPCGVUOSMOMGPJ-UHFFFAOYSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C[C@]1(C)CC[C@@H](OC[C@H]2COC(C)(C)N2)C(C)(C)O1 ZINC001217896205 775360787 /nfs/dbraw/zinc/36/07/87/775360787.db2.gz PMLJPNWTXPTMHX-WOSRLPQWSA-N 0 3 283.412 2.630 20 30 CFEDHN C#CCN1CCC(CNC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001225270624 775386056 /nfs/dbraw/zinc/38/60/56/775386056.db2.gz GQOOEPONZOAPFM-CQSZACIVSA-N 0 3 278.440 2.520 20 30 CFEDHN C=CCN[C@@H](CNC(=O)c1ccccc1O)c1ccccc1 ZINC001267516884 775408715 /nfs/dbraw/zinc/40/87/15/775408715.db2.gz KAOHULAYCDPNDX-INIZCTEOSA-N 0 3 296.370 2.639 20 30 CFEDHN C=CCN[C@H](CNC(=O)Cc1occc1C)c1ccccc1 ZINC001267522923 775419498 /nfs/dbraw/zinc/41/94/98/775419498.db2.gz NCNTWHXFTQZJAM-MRXNPFEDSA-N 0 3 298.386 2.764 20 30 CFEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCCCF ZINC001267528226 775425711 /nfs/dbraw/zinc/42/57/11/775425711.db2.gz XQWUNGMHLACSOP-GASCZTMLSA-N 0 3 282.403 2.768 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)CCC)C1 ZINC001267537268 775445376 /nfs/dbraw/zinc/44/53/76/775445376.db2.gz HAOGYDOEAYEYST-JKSUJKDBSA-N 0 3 278.440 2.759 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@H]1CCCO1 ZINC000122105810 775513678 /nfs/dbraw/zinc/51/36/78/775513678.db2.gz MTPFXZMADSHIRI-OLZOCXBDSA-N 0 3 297.358 2.709 20 30 CFEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025187733 775561408 /nfs/dbraw/zinc/56/14/08/775561408.db2.gz CRKJVQHFDVEDGP-KBPBESRZSA-N 0 3 282.403 2.766 20 30 CFEDHN C=CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025190005 775562764 /nfs/dbraw/zinc/56/27/64/775562764.db2.gz UPNINQRPAURURH-STQMWFEESA-N 0 3 286.366 2.673 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001025219705 775574207 /nfs/dbraw/zinc/57/42/07/775574207.db2.gz ZCSWSXXLMWILPC-IAGOWNOFSA-N 0 3 286.419 2.575 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C=C ZINC001025256465 775581315 /nfs/dbraw/zinc/58/13/15/775581315.db2.gz XMVOAOOYDRPSKY-HOTGVXAUSA-N 0 3 288.435 2.677 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001225752236 775582393 /nfs/dbraw/zinc/58/23/93/775582393.db2.gz CVXLZVJIGYNCGJ-HUUCEWRRSA-N 0 3 296.842 2.950 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001025377857 775628700 /nfs/dbraw/zinc/62/87/00/775628700.db2.gz JAHRBUUYFCVJQY-UONOGXRCSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccsc2C)C1 ZINC001025413307 775648760 /nfs/dbraw/zinc/64/87/60/775648760.db2.gz HESWIHUZNVFZSN-JSGCOSHPSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025416529 775650502 /nfs/dbraw/zinc/65/05/02/775650502.db2.gz ZPLUPCPIPTXYNR-UONOGXRCSA-N 0 3 290.432 2.520 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)[C@@H](CC)SC)C1 ZINC001267611853 775669312 /nfs/dbraw/zinc/66/93/12/775669312.db2.gz MPUBMHMNDWXIRT-ZIAGYGMSSA-N 0 3 284.469 2.675 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001267619444 775701926 /nfs/dbraw/zinc/70/19/26/775701926.db2.gz MONBJTXBDRSLND-OAHLLOKOSA-N 0 3 276.424 2.561 20 30 CFEDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226116669 775704881 /nfs/dbraw/zinc/70/48/81/775704881.db2.gz SZCJHSCEDBARJV-GFEFHLPHSA-N 0 3 274.364 2.604 20 30 CFEDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226116669 775704888 /nfs/dbraw/zinc/70/48/88/775704888.db2.gz SZCJHSCEDBARJV-GFEFHLPHSA-N 0 3 274.364 2.604 20 30 CFEDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226116671 775705888 /nfs/dbraw/zinc/70/58/88/775705888.db2.gz SZCJHSCEDBARJV-ODTATACGSA-N 0 3 274.364 2.604 20 30 CFEDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226116671 775705895 /nfs/dbraw/zinc/70/58/95/775705895.db2.gz SZCJHSCEDBARJV-ODTATACGSA-N 0 3 274.364 2.604 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC001025611210 775707495 /nfs/dbraw/zinc/70/74/95/775707495.db2.gz KFXCQEAOKYUIOL-IAGOWNOFSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001025623698 775714055 /nfs/dbraw/zinc/71/40/55/775714055.db2.gz HEYLXVJDTGHGTE-RDJZCZTQSA-N 0 3 288.435 2.583 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)[C@H](C)c1ccccc1C ZINC001283723281 775734150 /nfs/dbraw/zinc/73/41/50/775734150.db2.gz OMQVFBOHXMCRGX-JKSUJKDBSA-N 0 3 286.419 2.558 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@H](C)c1ccccc1C ZINC001283723280 775734327 /nfs/dbraw/zinc/73/43/27/775734327.db2.gz OMQVFBOHXMCRGX-HZPDHXFCSA-N 0 3 286.419 2.558 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000328290191 775737694 /nfs/dbraw/zinc/73/76/94/775737694.db2.gz RIBYDMQDBDOKPY-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)C/C=C/Cl)C2)C1 ZINC001267684974 775777330 /nfs/dbraw/zinc/77/73/30/775777330.db2.gz VRBHFUNGTNEMRA-YVZNUBBCSA-N 0 3 296.842 2.876 20 30 CFEDHN CCN1CC[C@H](Oc2nc(C(C)C)ccc2C#N)C1 ZINC001226355478 775787439 /nfs/dbraw/zinc/78/74/39/775787439.db2.gz HADHKFDPIDTIES-ZDUSSCGKSA-N 0 3 259.353 2.550 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CSCCC ZINC001267704358 775792539 /nfs/dbraw/zinc/79/25/39/775792539.db2.gz NRWDYRFDAYVVLA-KKUMJFAQSA-N 0 3 296.480 2.769 20 30 CFEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(F)F ZINC001267705271 775793296 /nfs/dbraw/zinc/79/32/96/775793296.db2.gz UCDCHBRUNCJFPL-MELADBBJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001267710901 775800489 /nfs/dbraw/zinc/80/04/89/775800489.db2.gz CQVPDSGNODGRNO-KKUMJFAQSA-N 0 3 288.391 2.841 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001267730521 775825204 /nfs/dbraw/zinc/82/52/04/775825204.db2.gz QXXYQXKAOWCPSD-SFHVURJKSA-N 0 3 298.430 2.532 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2c(O)cccc2C#N)C1 ZINC001226520641 775857945 /nfs/dbraw/zinc/85/79/45/775857945.db2.gz SCBGKQREWWUXDO-ZDUSSCGKSA-N 0 3 260.337 2.515 20 30 CFEDHN C=CCCCN1CC[C@H](N(CC)C(=O)c2cncs2)C1 ZINC001267781627 775923835 /nfs/dbraw/zinc/92/38/35/775923835.db2.gz KVZVNLJYNWIDHP-ZDUSSCGKSA-N 0 3 293.436 2.646 20 30 CFEDHN CC[C@H](CNC(=O)CC(C)C)NCC#Cc1ccccc1 ZINC001267792465 775935059 /nfs/dbraw/zinc/93/50/59/775935059.db2.gz AGXUPZLNUBKTPL-QGZVFWFLSA-N 0 3 286.419 2.569 20 30 CFEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)c1cc[nH]c1C ZINC001277157358 775976288 /nfs/dbraw/zinc/97/62/88/775976288.db2.gz XXQKTFWYHQEMQS-NSHDSACASA-N 0 3 283.803 2.564 20 30 CFEDHN C=C(C)C[NH2+]C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001026456487 776020471 /nfs/dbraw/zinc/02/04/71/776020471.db2.gz OPBPKNXMKXFTHQ-UHFFFAOYSA-N 0 3 288.391 2.599 20 30 CFEDHN CCCCCCCCCN1CC[C@H]2C[C@]21C(N)=O ZINC001277233050 776264481 /nfs/dbraw/zinc/26/44/81/776264481.db2.gz IPKJSZXWUPXMRJ-DZGCQCFKSA-N 0 3 252.402 2.687 20 30 CFEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)C)C1 ZINC001087421827 776334106 /nfs/dbraw/zinc/33/41/06/776334106.db2.gz YUWNYIQHQTXDEC-QZTJIDSGSA-N 0 3 298.430 2.640 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=C)Cl ZINC001227941431 776335804 /nfs/dbraw/zinc/33/58/04/776335804.db2.gz VKNHUMKNZWJNFN-CHWSQXEVSA-N 0 3 284.831 2.968 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2occc2C(C)C)C1 ZINC001027542862 776353054 /nfs/dbraw/zinc/35/30/54/776353054.db2.gz SUNOENOGWVLBNE-CQSZACIVSA-N 0 3 288.391 2.573 20 30 CFEDHN CCN1CCC(Oc2c(F)cc(C#N)cc2F)CC1 ZINC001228077289 776387048 /nfs/dbraw/zinc/38/70/48/776387048.db2.gz UYXQLYOCGYVCJZ-UHFFFAOYSA-N 0 3 266.291 2.700 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001027653855 776395619 /nfs/dbraw/zinc/39/56/19/776395619.db2.gz IWOOWRKRUSDLAC-WMZOPIPTSA-N 0 3 298.430 2.655 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001027658153 776400195 /nfs/dbraw/zinc/40/01/95/776400195.db2.gz FOIYKVCEJOVAIL-HNNXBMFYSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC001027660449 776401390 /nfs/dbraw/zinc/40/13/90/776401390.db2.gz NWMDLANTKUYJBB-GOSISDBHSA-N 0 3 298.430 2.980 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC001027670771 776405118 /nfs/dbraw/zinc/40/51/18/776405118.db2.gz NBUNSFNIQVCWIX-LLVKDONJSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001027691975 776409619 /nfs/dbraw/zinc/40/96/19/776409619.db2.gz XNEVXJJETCRJHM-MSOLQXFVSA-N 0 3 296.414 2.512 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001027821252 776462250 /nfs/dbraw/zinc/46/22/50/776462250.db2.gz GETIYQWAQAWEJF-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@@H](C)C(C)(F)F ZINC001277299530 776489052 /nfs/dbraw/zinc/48/90/52/776489052.db2.gz VKOIJRDUUWEPTG-GHMZBOCLSA-N 0 3 296.789 2.905 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001027933354 776517386 /nfs/dbraw/zinc/51/73/86/776517386.db2.gz VHDICLRSXNMFBP-CYBMUJFWSA-N 0 3 294.345 2.735 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027963850 776530488 /nfs/dbraw/zinc/53/04/88/776530488.db2.gz FNJJNOLIQSANTR-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cn(C)c2ccccc12 ZINC001028010095 776554649 /nfs/dbraw/zinc/55/46/49/776554649.db2.gz SOFQCRQPOKPKIS-AWEZNQCLSA-N 0 3 297.402 2.559 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028042077 776566651 /nfs/dbraw/zinc/56/66/51/776566651.db2.gz ZJPZGHPQUNISEJ-YHUYYLMFSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043576 776568803 /nfs/dbraw/zinc/56/88/03/776568803.db2.gz RYSKLGXXRYNVTF-JONQDZQNSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001028148300 776661293 /nfs/dbraw/zinc/66/12/93/776661293.db2.gz BCMGIIMMEIDZQN-HNNXBMFYSA-N 0 3 297.402 2.938 20 30 CFEDHN C#C[C@H]1CCC[C@@H]1Oc1ccc2c(c1)CCN(C)C2 ZINC001228944021 776666637 /nfs/dbraw/zinc/66/66/37/776666637.db2.gz JYSJAZUZKLORRT-GUYCJALGSA-N 0 3 255.361 2.855 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001028156503 776668350 /nfs/dbraw/zinc/66/83/50/776668350.db2.gz PDJXCSSOJANGGT-CYBMUJFWSA-N 0 3 283.375 2.548 20 30 CFEDHN C#CCCCCC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000692919483 776691066 /nfs/dbraw/zinc/69/10/66/776691066.db2.gz KPYKTAOMEFOMAG-LJQANCHMSA-N 0 3 298.430 2.961 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001028203058 776707087 /nfs/dbraw/zinc/70/70/87/776707087.db2.gz OCHDLHLSDNBNTB-CQSZACIVSA-N 0 3 293.798 2.505 20 30 CFEDHN CN1CCC(Oc2cccc(C#N)c2Cl)CC1 ZINC001229067545 776707484 /nfs/dbraw/zinc/70/74/84/776707484.db2.gz NHARZLOYRFPCJG-UHFFFAOYSA-N 0 3 250.729 2.685 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)CC(C)(C)CC(F)(F)F ZINC001268256293 776725054 /nfs/dbraw/zinc/72/50/54/776725054.db2.gz RXUGNNROZPMCBA-UHFFFAOYSA-N 0 3 294.361 2.931 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001028235349 776740132 /nfs/dbraw/zinc/74/01/32/776740132.db2.gz VSSVNBLTNCAPBO-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028265803 776773761 /nfs/dbraw/zinc/77/37/61/776773761.db2.gz KJULEAJPMAAZEE-HNNXBMFYSA-N 0 3 289.423 2.593 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H](C)CCNCc1ncc(C)s1 ZINC001268394361 776782191 /nfs/dbraw/zinc/78/21/91/776782191.db2.gz ZVYATYRFCRSOSR-LLVKDONJSA-N 0 3 295.452 2.648 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccccc1OC ZINC001268418270 776796486 /nfs/dbraw/zinc/79/64/86/776796486.db2.gz WJWZDUTUHJGYFI-GFCCVEGCSA-N 0 3 296.798 2.546 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028340746 776864398 /nfs/dbraw/zinc/86/43/98/776864398.db2.gz WTAWUFALWDSOKD-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001028346745 776865757 /nfs/dbraw/zinc/86/57/57/776865757.db2.gz FSJIVUZBCDEOLP-LLVKDONJSA-N 0 3 282.384 2.658 20 30 CFEDHN CC(C)(C)C#CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001277431800 776918578 /nfs/dbraw/zinc/91/85/78/776918578.db2.gz NIMYDEKORLAFHX-IYBDPMFKSA-N 0 3 288.435 2.511 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1C ZINC001088842965 776968270 /nfs/dbraw/zinc/96/82/70/776968270.db2.gz JNSVLXYMLTZKTI-TUVASFSCSA-N 0 3 264.413 2.578 20 30 CFEDHN CC(C)[C@@H](C)C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001268597767 776993417 /nfs/dbraw/zinc/99/34/17/776993417.db2.gz JBBKORVZDRCLAK-MBVDDHJVSA-N 0 3 299.418 2.612 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1conc1C1CCCC1 ZINC001268733929 777037035 /nfs/dbraw/zinc/03/70/35/777037035.db2.gz NZYDQIZQSKLROG-GFCCVEGCSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC1CCCC1 ZINC001230665025 777038568 /nfs/dbraw/zinc/03/85/68/777038568.db2.gz QTWHFOGENWVDLT-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](C)CN(C)C[C@@H]1CCCCO1 ZINC001268739942 777040165 /nfs/dbraw/zinc/04/01/65/777040165.db2.gz GSSFMBIFKCMDCF-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)C[C@@H]1CCCCO1 ZINC001268748485 777041226 /nfs/dbraw/zinc/04/12/26/777041226.db2.gz GOKJWHNFNYCTRI-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](C=C)c1ccccc1 ZINC001268756526 777045367 /nfs/dbraw/zinc/04/53/67/777045367.db2.gz KLIKPWDIZLQESF-HOCLYGCPSA-N 0 3 272.392 2.579 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)C[C@@H](C=C)c1ccccc1 ZINC001268758618 777047609 /nfs/dbraw/zinc/04/76/09/777047609.db2.gz YCXDCPFLJBDDCC-JKSUJKDBSA-N 0 3 286.419 2.969 20 30 CFEDHN C#CCCN1CC(CNC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001268884077 777069351 /nfs/dbraw/zinc/06/93/51/777069351.db2.gz ZKCZQVBCORUEJD-QGZVFWFLSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CC(C)(C)C(=O)NCCCN(CC)Cc1cccnc1 ZINC001230811194 777069872 /nfs/dbraw/zinc/06/98/72/777069872.db2.gz MCTIODYVUVOFKO-UHFFFAOYSA-N 0 3 289.423 2.622 20 30 CFEDHN CCCCCCCN1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC001269005203 777087319 /nfs/dbraw/zinc/08/73/19/777087319.db2.gz ICQQWTKWJUSOIQ-AWEZNQCLSA-N 0 3 293.411 2.758 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCCOC ZINC001230906135 777089117 /nfs/dbraw/zinc/08/91/17/777089117.db2.gz DBYNWZZYDZPLEH-INIZCTEOSA-N 0 3 298.471 2.916 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CC)CCC)C1 ZINC001269181999 777131298 /nfs/dbraw/zinc/13/12/98/777131298.db2.gz AYWRROSFQXHNHY-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)COC(C)C ZINC001231070978 777132057 /nfs/dbraw/zinc/13/20/57/777132057.db2.gz SHEYLTGZKSDEOD-INIZCTEOSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)c1ccoc1C ZINC001269194801 777135601 /nfs/dbraw/zinc/13/56/01/777135601.db2.gz JVQAZMZRHPEJFK-OCCSQVGLSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001269221799 777142524 /nfs/dbraw/zinc/14/25/24/777142524.db2.gz PDQCICUINLAZJE-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001269251829 777151447 /nfs/dbraw/zinc/15/14/47/777151447.db2.gz SLEHGMNQGCGSRJ-ZBFHGGJFSA-N 0 3 278.440 2.615 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1cocn1 ZINC001231169968 777163456 /nfs/dbraw/zinc/16/34/56/777163456.db2.gz LSIUKYVFOKDMNI-CQSZACIVSA-N 0 3 291.395 2.567 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C[C@H]2C=CCCC2)C1 ZINC001269333518 777172324 /nfs/dbraw/zinc/17/23/24/777172324.db2.gz XVFFFWLSOBREMU-IRXDYDNUSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccccc1 ZINC001269333624 777173113 /nfs/dbraw/zinc/17/31/13/777173113.db2.gz XQVMJVQDXHYDDY-RDJZCZTQSA-N 0 3 286.419 2.947 20 30 CFEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001277502799 777181598 /nfs/dbraw/zinc/18/15/98/777181598.db2.gz SAQWVBUYIRTRBP-AEFFLSMTSA-N 0 3 290.451 2.760 20 30 CFEDHN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCCC(C)(C)C ZINC001231293673 777185742 /nfs/dbraw/zinc/18/57/42/777185742.db2.gz PKVMLTIAIXBDQP-ZIAGYGMSSA-N 0 3 279.428 2.505 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C#N ZINC001231293316 777186075 /nfs/dbraw/zinc/18/60/75/777186075.db2.gz LPUJPPKNFRYUFA-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCCC(=O)NC1(CNCc2ccccn2)CCCC1 ZINC001269532750 777204579 /nfs/dbraw/zinc/20/45/79/777204579.db2.gz JMINUEPXANXENV-UHFFFAOYSA-N 0 3 287.407 2.566 20 30 CFEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCC ZINC001269601780 777219882 /nfs/dbraw/zinc/21/98/82/777219882.db2.gz ODAWKUNHBHPBCC-ZACQAIPSSA-N 0 3 290.451 2.901 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2c[nH]c3cccnc23)C1 ZINC001231490109 777238415 /nfs/dbraw/zinc/23/84/15/777238415.db2.gz MWDIHDVQHDOBOJ-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN C#CCN1CC[C@@]2(CCN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001277537556 777264553 /nfs/dbraw/zinc/26/45/53/777264553.db2.gz GZLXUQUHBPHWGP-SJLPKXTDSA-N 0 3 290.451 2.616 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001231621079 777281676 /nfs/dbraw/zinc/28/16/76/777281676.db2.gz OEFMOEXERMLBHK-HOTGVXAUSA-N 0 3 279.355 2.546 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@H](c3noc(C)n3)C2)c1 ZINC001231656144 777294251 /nfs/dbraw/zinc/29/42/51/777294251.db2.gz FRJDEXWEVJYZAX-INIZCTEOSA-N 0 3 281.359 2.739 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@H](CC(=O)OCC)C2)c1 ZINC001231655893 777294569 /nfs/dbraw/zinc/29/45/69/777294569.db2.gz CNHCVLHWIGZQNB-QGZVFWFLSA-N 0 3 285.387 2.833 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@@]3(C[C@H](OCC)CO3)C2)c1 ZINC001231657385 777296868 /nfs/dbraw/zinc/29/68/68/777296868.db2.gz OSDDDAHBRVWBIY-RBUKOAKNSA-N 0 3 299.414 2.828 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001075724422 777297238 /nfs/dbraw/zinc/29/72/38/777297238.db2.gz JTVHUPBRUXTKPF-JKSUJKDBSA-N 0 3 274.408 2.596 20 30 CFEDHN C#Cc1cccc(CN2CCC3(CCN(CC)C3=O)CC2)c1 ZINC001231660449 777298132 /nfs/dbraw/zinc/29/81/32/777298132.db2.gz GNCOIYLFFJWYCW-UHFFFAOYSA-N 0 3 296.414 2.502 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@H]2C[C@]2(C)C(C)C)cc1 ZINC001270081553 777304391 /nfs/dbraw/zinc/30/43/91/777304391.db2.gz DZKFQLZKJBLFDY-IEBWSBKVSA-N 0 3 298.430 2.708 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCC1CCN(CCF)CC1 ZINC001270118575 777313960 /nfs/dbraw/zinc/31/39/60/777313960.db2.gz RKMNYALQWBVOJI-UHFFFAOYSA-N 0 3 284.419 2.777 20 30 CFEDHN C=CCCC(=O)N(C)C1CN(CC(CC)CC)C1 ZINC001277570482 777341976 /nfs/dbraw/zinc/34/19/76/777341976.db2.gz JFGSWZIARJKMGF-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(O)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000721771114 777342563 /nfs/dbraw/zinc/34/25/63/777342563.db2.gz FYGVAEMDCIVYMI-CYBMUJFWSA-N 0 3 278.783 2.804 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001029005863 777372828 /nfs/dbraw/zinc/37/28/28/777372828.db2.gz MWKLDZFDGZKUPI-JKSUJKDBSA-N 0 3 298.430 2.885 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccccc2CC(C)C)C1 ZINC001029009426 777377197 /nfs/dbraw/zinc/37/71/97/777377197.db2.gz SWQOZZQCIONUAZ-MRXNPFEDSA-N 0 3 298.430 2.570 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001029011284 777378740 /nfs/dbraw/zinc/37/87/40/777378740.db2.gz HMIJKXKZFCCEPL-HNNXBMFYSA-N 0 3 290.451 2.664 20 30 CFEDHN CC(C)N1CC[C@H](Oc2ccc(C#N)c(F)c2F)C1 ZINC001226016734 777382634 /nfs/dbraw/zinc/38/26/34/777382634.db2.gz CPNUKEUXNDDNJE-NSHDSACASA-N 0 3 266.291 2.698 20 30 CFEDHN CN(Cc1ccc(C#N)c(Cl)c1)[C@H]1CCCOC1 ZINC001232117882 777444822 /nfs/dbraw/zinc/44/48/22/777444822.db2.gz GIVGVTHBTVZARF-ZDUSSCGKSA-N 0 3 264.756 2.822 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001270658938 777445428 /nfs/dbraw/zinc/44/54/28/777445428.db2.gz RMVJJDATHOKDOD-QAPCUYQASA-N 0 3 286.419 2.632 20 30 CFEDHN C=C(Cl)CNC1(CNC(=O)/C(C)=C/C)CCCC1 ZINC001270727980 777467182 /nfs/dbraw/zinc/46/71/82/777467182.db2.gz PHMVOCFRNKGHPH-NYYWCZLTSA-N 0 3 270.804 2.724 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2sccc2C)[C@H]1CC ZINC001087488535 777498248 /nfs/dbraw/zinc/49/82/48/777498248.db2.gz GJARVESWZOSIHS-UONOGXRCSA-N 0 3 290.432 2.663 20 30 CFEDHN N#CC1CCN(Cc2ccc(O)c3ncccc23)CC1 ZINC001232275547 777503248 /nfs/dbraw/zinc/50/32/48/777503248.db2.gz UJKQHKWZPYDBJX-UHFFFAOYSA-N 0 3 267.332 2.676 20 30 CFEDHN O=C1C=C2CN(Cc3c(Cl)ccnc3F)CCC2S1 ZINC001232612956 777616784 /nfs/dbraw/zinc/61/67/84/777616784.db2.gz PETCMHUNCCKMQD-NSHDSACASA-N 0 3 298.770 2.648 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1CC ZINC001087585210 777664767 /nfs/dbraw/zinc/66/47/67/777664767.db2.gz UTPIZTJNVGTUGL-UXLLHSPISA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2nccc3occc32)[C@H]1CC ZINC001087667295 777675756 /nfs/dbraw/zinc/67/57/56/777675756.db2.gz PWHXBEFCSJNJJB-UONOGXRCSA-N 0 3 299.374 2.597 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2CCC)[C@H]1CC ZINC001087695061 777680382 /nfs/dbraw/zinc/68/03/82/777680382.db2.gz JZWOQNDCMZPIGE-JKSUJKDBSA-N 0 3 289.423 2.736 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1CC ZINC001087693820 777680403 /nfs/dbraw/zinc/68/04/03/777680403.db2.gz XSEKOMQJOYGUKD-HZSPNIEDSA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001087694828 777680601 /nfs/dbraw/zinc/68/06/01/777680601.db2.gz XJIOFMFOKMEECR-UONOGXRCSA-N 0 3 264.413 2.578 20 30 CFEDHN CC1(C)CN(Cc2ccc(C#N)s2)[C@@](C)(CO)C1 ZINC001232842334 777690000 /nfs/dbraw/zinc/69/00/00/777690000.db2.gz YKXSRLOSYVSTTP-CQSZACIVSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@@]1(CO)CCCN(Cc2ccc(C#N)s2)CC1 ZINC001232842203 777690621 /nfs/dbraw/zinc/69/06/21/777690621.db2.gz NZIFGKLCGDQPES-CQSZACIVSA-N 0 3 264.394 2.604 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1CC ZINC001087742250 777691137 /nfs/dbraw/zinc/69/11/37/777691137.db2.gz BLMPMYNMKTZSBC-XHSDSOJGSA-N 0 3 290.382 2.852 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccsc2C)[C@H]1CC ZINC001087750397 777692740 /nfs/dbraw/zinc/69/27/40/777692740.db2.gz IXZVVFRRUFNBPK-LSDHHAIUSA-N 0 3 292.448 2.754 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(C)C ZINC001029419572 777697733 /nfs/dbraw/zinc/69/77/33/777697733.db2.gz FYBAHXNHIATGGT-OKILXGFUSA-N 0 3 264.413 2.672 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029419903 777699015 /nfs/dbraw/zinc/69/90/15/777699015.db2.gz NCZPOXJJBGXDEG-GASCZTMLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2F)[C@H]1CC ZINC001087817473 777706401 /nfs/dbraw/zinc/70/64/01/777706401.db2.gz RKDXFDHZMNZJRW-JKSUJKDBSA-N 0 3 290.382 2.523 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2C)[C@H]1CC ZINC001087823872 777709875 /nfs/dbraw/zinc/70/98/75/777709875.db2.gz VWYIHJCUTMMTFG-ZWKOTPCHSA-N 0 3 298.430 2.530 20 30 CFEDHN Cc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)c(C#N)c1 ZINC001232961665 777739896 /nfs/dbraw/zinc/73/98/96/777739896.db2.gz BZTUHLOUOAMFDQ-WBVHZDCISA-N 0 3 270.376 2.868 20 30 CFEDHN Cc1ccc(CN2CC(C)(C)C[C@@]2(C)CO)c(C#N)c1 ZINC001232964502 777741709 /nfs/dbraw/zinc/74/17/09/777741709.db2.gz YUPZQAALJUMYFJ-KRWDZBQOSA-N 0 3 272.392 2.850 20 30 CFEDHN CCCC[C@H](C)C(=O)NCCNCc1cccc(C#N)c1 ZINC001126559976 777756005 /nfs/dbraw/zinc/75/60/05/777756005.db2.gz ICUUXRJGWLDMJB-AWEZNQCLSA-N 0 3 287.407 2.590 20 30 CFEDHN CCN1CC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205993 777790144 /nfs/dbraw/zinc/79/01/44/777790144.db2.gz VKLLNUQXHXTIRA-GFCCVEGCSA-N 0 3 250.729 2.685 20 30 CFEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3ccc(C)nc3)C2)C1 ZINC001040072639 777826250 /nfs/dbraw/zinc/82/62/50/777826250.db2.gz FNHUINUAMAQTSZ-GOSISDBHSA-N 0 3 299.418 2.504 20 30 CFEDHN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CCF)C2 ZINC001271414881 777836700 /nfs/dbraw/zinc/83/67/00/777836700.db2.gz MZLRQFATNAJVBI-IHRRRGAJSA-N 0 3 282.403 2.527 20 30 CFEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2occc2C)c1 ZINC000127134981 777878561 /nfs/dbraw/zinc/87/85/61/777878561.db2.gz AYVRHKKNUMBDPX-ZDUSSCGKSA-N 0 3 298.298 2.558 20 30 CFEDHN CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC#Cc1ccccc1 ZINC001271683998 777903128 /nfs/dbraw/zinc/90/31/28/777903128.db2.gz AMHBTLJIHRFUOC-AEFFLSMTSA-N 0 3 298.430 2.665 20 30 CFEDHN CCC(=O)N1CCC[C@H](C)[C@H]1CNCC#Cc1ccccc1 ZINC001271684000 777903751 /nfs/dbraw/zinc/90/37/51/777903751.db2.gz AMHBTLJIHRFUOC-FUHWJXTLSA-N 0 3 298.430 2.665 20 30 CFEDHN CN1CCC[C@H](Oc2ccc(C(=O)CC#N)cc2)CC1 ZINC001233524792 777978204 /nfs/dbraw/zinc/97/82/04/777978204.db2.gz FQXOOCFFVLZUCL-AWEZNQCLSA-N 0 3 272.348 2.646 20 30 CFEDHN CC(C)N1CC[C@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233526357 777979802 /nfs/dbraw/zinc/97/98/02/777979802.db2.gz PORSAKSWQAXNQV-HNNXBMFYSA-N 0 3 272.348 2.644 20 30 CFEDHN CCc1cc(C)c(C#N)c(O[C@@H]2CCCN(CC)C2)n1 ZINC001233555023 777989808 /nfs/dbraw/zinc/98/98/08/777989808.db2.gz CZINSQXHJVUOGX-CQSZACIVSA-N 0 3 273.380 2.687 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673521 778032889 /nfs/dbraw/zinc/03/28/89/778032889.db2.gz FNJDDBIKIMQSEQ-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)n1cccc1 ZINC001233694316 778041907 /nfs/dbraw/zinc/04/19/07/778041907.db2.gz NDJLJCWNADUOHU-JKSUJKDBSA-N 0 3 289.423 2.548 20 30 CFEDHN CN1CCC(Oc2ccc(Cl)c(C#N)c2)CC1 ZINC001233922082 778114622 /nfs/dbraw/zinc/11/46/22/778114622.db2.gz ZRKJIUZIKANSMG-UHFFFAOYSA-N 0 3 250.729 2.685 20 30 CFEDHN CN(C[C@@H]1CCN1CCCC(C)(C)C)C(=O)C#CC1CC1 ZINC001234178733 778181235 /nfs/dbraw/zinc/18/12/35/778181235.db2.gz OEOPZIBDUGBCTP-INIZCTEOSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234255467 778194475 /nfs/dbraw/zinc/19/44/75/778194475.db2.gz NRHHQIRRWUGGMM-HZPDHXFCSA-N 0 3 296.455 2.546 20 30 CFEDHN CN1CC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228992931 778225743 /nfs/dbraw/zinc/22/57/43/778225743.db2.gz ODHLUCKRRVWIBF-ZDUSSCGKSA-N 0 3 258.365 2.939 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccc(C(C)C)n1 ZINC001272055865 778233047 /nfs/dbraw/zinc/23/30/47/778233047.db2.gz ZFIRWSKYBIKCFX-UHFFFAOYSA-N 0 3 289.423 2.785 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CC[C@H](C)F ZINC001234537125 778247096 /nfs/dbraw/zinc/24/70/96/778247096.db2.gz KXIROVDVZYVYIF-UONOGXRCSA-N 0 3 284.419 2.870 20 30 CFEDHN C=CCc1cc(OC)c(OC)cc1O[C@@H]1CCN(C)C1 ZINC001234552695 778250911 /nfs/dbraw/zinc/25/09/11/778250911.db2.gz KRCYITIIKZFFRX-CYBMUJFWSA-N 0 3 277.364 2.515 20 30 CFEDHN C=CCOc1ccccc1O[C@H]1CN2CCC1CC2 ZINC001229612034 778321705 /nfs/dbraw/zinc/32/17/05/778321705.db2.gz RIJXALIKCBVDEQ-INIZCTEOSA-N 0 3 259.349 2.724 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001272117566 778358243 /nfs/dbraw/zinc/35/82/43/778358243.db2.gz IVVVAPIVEKUYMT-OAHLLOKOSA-N 0 3 280.456 2.862 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1scnc1C1CC1 ZINC001272126540 778359353 /nfs/dbraw/zinc/35/93/53/778359353.db2.gz ZTBUNFHDIUNLJY-UHFFFAOYSA-N 0 3 293.436 2.600 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1C ZINC001088656905 778379021 /nfs/dbraw/zinc/37/90/21/778379021.db2.gz KKARHCYELPUSSN-PMPSAXMXSA-N 0 3 276.424 2.888 20 30 CFEDHN CCCC[C@H](CC)CN1CCC12CN(CCC#N)C2 ZINC001277936584 778454315 /nfs/dbraw/zinc/45/43/15/778454315.db2.gz LVABCEKYXPXSNH-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)CC/C=C\c1ccccc1 ZINC001277938020 778459469 /nfs/dbraw/zinc/45/94/69/778459469.db2.gz NBVZXFROEAJGQW-HOFZKYPUSA-N 0 3 298.430 2.940 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001075955496 778459721 /nfs/dbraw/zinc/45/97/21/778459721.db2.gz NAMIGCDSXKDACT-DZGCQCFKSA-N 0 3 288.391 2.564 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccsc1 ZINC000127979009 778465603 /nfs/dbraw/zinc/46/56/03/778465603.db2.gz PGZNMMPOMBFGPK-GFCCVEGCSA-N 0 3 270.313 2.709 20 30 CFEDHN CCCCCCCCCCN1CCN[C@H](C(=O)OC)C1 ZINC001235441424 778490303 /nfs/dbraw/zinc/49/03/03/778490303.db2.gz DKNOVCFVRDOGIP-HNNXBMFYSA-N 0 3 284.444 2.574 20 30 CFEDHN N#CCc1ccccc1CN1CCc2cc(CO)ccc2C1 ZINC001235512830 778508395 /nfs/dbraw/zinc/50/83/95/778508395.db2.gz VUOHXNWLUUMVJD-UHFFFAOYSA-N 0 3 292.382 2.803 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3ccccc3CC#N)C2)no1 ZINC001235512997 778508741 /nfs/dbraw/zinc/50/87/41/778508741.db2.gz YGTRZVWHKDUWRF-INIZCTEOSA-N 0 3 296.374 2.824 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1C ZINC001088807698 778509428 /nfs/dbraw/zinc/50/94/28/778509428.db2.gz VHPYSNACZMHEDA-OCCSQVGLSA-N 0 3 275.396 2.517 20 30 CFEDHN C=CC[C@@H](NC(=O)CN(C)C(C)C)c1ccccc1 ZINC001142590953 778514002 /nfs/dbraw/zinc/51/40/02/778514002.db2.gz VMEHRCBCFKNVMS-OAHLLOKOSA-N 0 3 260.381 2.760 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001235682421 778535668 /nfs/dbraw/zinc/53/56/68/778535668.db2.gz DIOWGXJGPQSAOG-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN CC#CCN1CCC[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040337150 778542360 /nfs/dbraw/zinc/54/23/60/778542360.db2.gz LGTIVJODDGYQLG-SFHVURJKSA-N 0 3 288.435 2.514 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC001076153699 778573106 /nfs/dbraw/zinc/57/31/06/778573106.db2.gz JNFVUDRYJCWORG-SOUVJXGZSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001076189757 778575961 /nfs/dbraw/zinc/57/59/61/778575961.db2.gz ZCCPEHWTPWBLER-DOTOQJQBSA-N 0 3 284.403 2.581 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)[C@@H]2C1 ZINC001076318276 778583191 /nfs/dbraw/zinc/58/31/91/778583191.db2.gz QTEZCLPUOHGGFF-HYVNUMGLSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001076596629 778597711 /nfs/dbraw/zinc/59/77/11/778597711.db2.gz MPGTZPJRUZQGME-BPQIPLTHSA-N 0 3 298.430 2.584 20 30 CFEDHN C[NH+](C)CCCn1cc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001236156043 778720494 /nfs/dbraw/zinc/72/04/94/778720494.db2.gz PDBQVHOFUBSDIA-ZPHPHTNESA-N 0 3 298.390 2.626 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CO[C@@H](C)CC ZINC001099023124 778921393 /nfs/dbraw/zinc/92/13/93/778921393.db2.gz KICQCXNATWRDBX-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN CCc1ccc(C[NH+]2CCC(S)CC2)c([O-])c1 ZINC001236794792 778940355 /nfs/dbraw/zinc/94/03/55/778940355.db2.gz OPHAWXGVQVSPPZ-UHFFFAOYSA-N 0 3 251.395 2.849 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1C ZINC001088903327 778942070 /nfs/dbraw/zinc/94/20/70/778942070.db2.gz LEAAFGKXKCVSRT-SIXLDLHFSA-N 0 3 284.403 2.555 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@H]1C ZINC001088907074 778942713 /nfs/dbraw/zinc/94/27/13/778942713.db2.gz YQWLAIUIMDYBHW-PWSUYJOCSA-N 0 3 298.839 2.709 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1C ZINC001088912399 778945128 /nfs/dbraw/zinc/94/51/28/778945128.db2.gz VCZUZALJNGEGJK-BVUBDWEXSA-N 0 3 276.424 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H]1C ZINC001088951688 778959977 /nfs/dbraw/zinc/95/99/77/778959977.db2.gz BFZMKLWXVJWOQF-DYVFJYSZSA-N 0 3 295.386 2.613 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC001088968293 778963003 /nfs/dbraw/zinc/96/30/03/778963003.db2.gz QCIXURXQKVFYCQ-DOMZBBRYSA-N 0 3 276.424 2.578 20 30 CFEDHN CN(Cc1ccc(C#N)c(Br)c1)C1CC1 ZINC001236856786 778966676 /nfs/dbraw/zinc/96/66/76/778966676.db2.gz OQPGFMZPEBFDFQ-UHFFFAOYSA-N 0 3 265.154 2.915 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H]1C ZINC001089023287 778977133 /nfs/dbraw/zinc/97/71/33/778977133.db2.gz NZNBNTCROCMLAK-DOMZBBRYSA-N 0 3 292.810 2.648 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1C ZINC001089061540 778983555 /nfs/dbraw/zinc/98/35/55/778983555.db2.gz ZTFDJRXFEDAAJJ-WCMAUXFHSA-N 0 3 276.424 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1C ZINC001089061541 778983858 /nfs/dbraw/zinc/98/38/58/778983858.db2.gz ZTFDJRXFEDAAJJ-WNZFAQLISA-N 0 3 276.424 2.578 20 30 CFEDHN CCc1cc(C#N)ccc1CN1CCNC2=CCCC[C@@H]21 ZINC001237230374 779056756 /nfs/dbraw/zinc/05/67/56/779056756.db2.gz SCJSVXNRTMYHPM-SFHVURJKSA-N 0 3 281.403 2.962 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001278071676 779058269 /nfs/dbraw/zinc/05/82/69/779058269.db2.gz OAGHCKUIGUFALS-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN O=C1C=C2CN(Cc3cnc(Cl)c(F)c3)CCC2S1 ZINC001237401068 779096646 /nfs/dbraw/zinc/09/66/46/779096646.db2.gz ORWJZHWUBHXDHD-LLVKDONJSA-N 0 3 298.770 2.648 20 30 CFEDHN O=C1C=C2CN(Cc3cnc(Cl)c(F)c3)CCC2S1 ZINC001237401069 779096839 /nfs/dbraw/zinc/09/68/39/779096839.db2.gz ORWJZHWUBHXDHD-NSHDSACASA-N 0 3 298.770 2.648 20 30 CFEDHN CCCCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272467585 779113732 /nfs/dbraw/zinc/11/37/32/779113732.db2.gz SPEZPNVICBQFQM-MRXNPFEDSA-N 0 3 277.412 2.547 20 30 CFEDHN C[C@H]1COCCN(Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466994 779115015 /nfs/dbraw/zinc/11/50/15/779115015.db2.gz QGDOHGHKQGROMM-CYBMUJFWSA-N 0 3 283.375 2.518 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C)Cc1cccs1 ZINC001121889972 779123935 /nfs/dbraw/zinc/12/39/35/779123935.db2.gz XVSBMIYBGOMWLB-TZMCWYRMSA-N 0 3 280.437 2.727 20 30 CFEDHN CC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)CC(C)(C)C1 ZINC001089286180 779132186 /nfs/dbraw/zinc/13/21/86/779132186.db2.gz WYYYZYZPXRDYOI-GOSISDBHSA-N 0 3 298.430 2.665 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000699010149 779147999 /nfs/dbraw/zinc/14/79/99/779147999.db2.gz CFWKJNDSGUGQKI-YOEHRIQHSA-N 0 3 278.440 2.520 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)CC2CCCC2)CC(C)(C)C1 ZINC001089305671 779185306 /nfs/dbraw/zinc/18/53/06/779185306.db2.gz GVCMQNLNLVZYHV-INIZCTEOSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN1CCN(Cc2n[nH]c3cc(Cl)ccc32)CC1 ZINC001237995926 779225401 /nfs/dbraw/zinc/22/54/01/779225401.db2.gz LOIRRIGUPFOICO-UHFFFAOYSA-N 0 3 290.798 2.520 20 30 CFEDHN CN1CCN(Cc2ccc(Cl)c(C#N)c2)CC1(C)C ZINC001238191757 779274990 /nfs/dbraw/zinc/27/49/90/779274990.db2.gz QDNOGASAXWAFRG-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN COc1cc(CN2CC[C@@](C)(CF)C2)ccc1C#N ZINC001238409471 779307496 /nfs/dbraw/zinc/30/74/96/779307496.db2.gz GGTISSHITRQXFG-HNNXBMFYSA-N 0 3 262.328 2.748 20 30 CFEDHN COc1cc(CN2CC[C@](C)(CF)C2)ccc1C#N ZINC001238409473 779307637 /nfs/dbraw/zinc/30/76/37/779307637.db2.gz GGTISSHITRQXFG-OAHLLOKOSA-N 0 3 262.328 2.748 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046749711 779346035 /nfs/dbraw/zinc/34/60/35/779346035.db2.gz NNUNTVIASZOIOP-HOCLYGCPSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C[C@H]1C=CCC1 ZINC001272637045 779359667 /nfs/dbraw/zinc/35/96/67/779359667.db2.gz HKXQLCUZACHRKK-STQMWFEESA-N 0 3 270.804 2.580 20 30 CFEDHN C=CCC1(C(=O)N[C@H](CNCCF)C2CCCC2)CCC1 ZINC001278268019 779365944 /nfs/dbraw/zinc/36/59/44/779365944.db2.gz QEPCNDKBZKUHAH-OAHLLOKOSA-N 0 3 296.430 2.967 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046792525 779376801 /nfs/dbraw/zinc/37/68/01/779376801.db2.gz VQGDVBXPAAQMAH-QGZVFWFLSA-N 0 3 272.392 2.765 20 30 CFEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@H](OC)C1 ZINC001212211582 779383526 /nfs/dbraw/zinc/38/35/26/779383526.db2.gz VLEMWCUSRANJQK-ARFHVFGLSA-N 0 3 296.455 2.594 20 30 CFEDHN CCc1cc(CN2C[C@@H](C(=O)OC)C3(CC3)C2)ccc1C#N ZINC001238772310 779388250 /nfs/dbraw/zinc/38/82/50/779388250.db2.gz OFTLPZSJPOVCCY-INIZCTEOSA-N 0 3 298.386 2.506 20 30 CFEDHN CCc1cc(CN(CC)CCn2cccn2)ccc1C#N ZINC001238778217 779391341 /nfs/dbraw/zinc/39/13/41/779391341.db2.gz KUJRSVQGKZZVMS-UHFFFAOYSA-N 0 3 282.391 2.839 20 30 CFEDHN CN(C)/C=C/c1ccncc1-c1cnc(C#N)c(F)c1 ZINC001238995593 779437536 /nfs/dbraw/zinc/43/75/36/779437536.db2.gz PABIDIDSSBTLNW-GQCTYLIASA-N 0 3 268.295 2.687 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCCC1 ZINC001089600754 779539978 /nfs/dbraw/zinc/53/99/78/779539978.db2.gz QMQJGXAOOKGXGZ-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001089622304 779546475 /nfs/dbraw/zinc/54/64/75/779546475.db2.gz FZUHIJSDODAISM-AWEZNQCLSA-N 0 3 289.423 2.730 20 30 CFEDHN CCCCCCCCNC(=S)N1[C@H](C)CNC[C@@H]1C ZINC001239415637 779557339 /nfs/dbraw/zinc/55/73/39/779557339.db2.gz DFFBPAHJYNILAG-OKILXGFUSA-N 0 3 285.501 2.904 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(CCCCCC)C[C@H]1OC ZINC001213273356 779608814 /nfs/dbraw/zinc/60/88/14/779608814.db2.gz LTJLOWBYXNSHII-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccncc1C ZINC001272717089 779716807 /nfs/dbraw/zinc/71/68/07/779716807.db2.gz PBPDJQCNIUXNRJ-GOSISDBHSA-N 0 3 299.418 2.533 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccccc2C2CCC2)C1 ZINC001032158304 779749581 /nfs/dbraw/zinc/74/95/81/779749581.db2.gz OAORZZBVPMNXCE-UHFFFAOYSA-N 0 3 296.414 2.639 20 30 CFEDHN C=CCCN1CC(CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001032216102 779771550 /nfs/dbraw/zinc/77/15/50/779771550.db2.gz VZTRZKFFOVBVMN-UHFFFAOYSA-N 0 3 298.386 2.979 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001032259746 779797716 /nfs/dbraw/zinc/79/77/16/779797716.db2.gz YAGACESGPXAFAW-HOTGVXAUSA-N 0 3 284.403 2.860 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1 ZINC001032261450 779799125 /nfs/dbraw/zinc/79/91/25/779799125.db2.gz ONELIGQYPWSPIP-GJZGRUSLSA-N 0 3 290.432 2.542 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107515567 779854186 /nfs/dbraw/zinc/85/41/86/779854186.db2.gz XZGGBUWQWRLYHB-BFYDXBDKSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCCC1 ZINC001032471593 779964331 /nfs/dbraw/zinc/96/43/31/779964331.db2.gz AGQDEDSUSBWZKU-PMPSAXMXSA-N 0 3 274.408 2.594 20 30 CFEDHN COc1ccc([C@H]2C[C@H](NCC3(C#N)CC3)CCO2)cc1 ZINC001168598132 780030425 /nfs/dbraw/zinc/03/04/25/780030425.db2.gz CWJOTXXNEJKYBH-GDBMZVCRSA-N 0 3 286.375 2.809 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032559675 780034535 /nfs/dbraw/zinc/03/45/35/780034535.db2.gz CSHVFOKVVBVRAQ-KBPBESRZSA-N 0 3 264.413 2.530 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C ZINC001032607209 780068344 /nfs/dbraw/zinc/06/83/44/780068344.db2.gz IMFRPFVDQDHHRI-DZKIICNBSA-N 0 3 264.413 2.530 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)C)CC1 ZINC001032616178 780076819 /nfs/dbraw/zinc/07/68/19/780076819.db2.gz BHMSXGFOHKTLKD-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001032742660 780165456 /nfs/dbraw/zinc/16/54/56/780165456.db2.gz QYNONVBRGVZLQY-XLAORIBOSA-N 0 3 296.414 2.651 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cc(C)cc(C)n1 ZINC001272883235 780189231 /nfs/dbraw/zinc/18/92/31/780189231.db2.gz YZCJDALIAGQYNM-GFCCVEGCSA-N 0 3 295.814 2.549 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001032761115 780192538 /nfs/dbraw/zinc/19/25/38/780192538.db2.gz HFFRGKQICMZARY-HOTGVXAUSA-N 0 3 284.403 2.778 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)c(C)c1 ZINC001032770317 780205083 /nfs/dbraw/zinc/20/50/83/780205083.db2.gz SMXAKTYZQHYMOU-ROUUACIJSA-N 0 3 298.430 2.707 20 30 CFEDHN C=CCN1CC[C@@]2(CCCN2Cc2sccc2C)C1=O ZINC001272933109 780302107 /nfs/dbraw/zinc/30/21/07/780302107.db2.gz RWTPRWFOBJEQSZ-INIZCTEOSA-N 0 3 290.432 2.809 20 30 CFEDHN CCC1(CC)[C@H](NCC2(C#N)CCC2)C[C@H]1OC ZINC000450849868 780336218 /nfs/dbraw/zinc/33/62/18/780336218.db2.gz VVUMLQHUOKTNQA-CHWSQXEVSA-N 0 3 250.386 2.864 20 30 CFEDHN CCC1(CC)[C@@H](NCC2(C#N)CCC2)C[C@@H]1OC ZINC000450849871 780336696 /nfs/dbraw/zinc/33/66/96/780336696.db2.gz VVUMLQHUOKTNQA-STQMWFEESA-N 0 3 250.386 2.864 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@H](C)c1ccccc1F ZINC001168689568 780337937 /nfs/dbraw/zinc/33/79/37/780337937.db2.gz VDFUTWSZYNAIMR-GFCCVEGCSA-N 0 3 298.789 2.778 20 30 CFEDHN N=C(N[C@H]1Cc2cccc(Cl)c2C1)c1ccc(F)cn1 ZINC001168695382 780354526 /nfs/dbraw/zinc/35/45/26/780354526.db2.gz YUPXNAYEDBPJMA-NSHDSACASA-N 0 3 289.741 2.747 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032872044 780488553 /nfs/dbraw/zinc/48/85/53/780488553.db2.gz BAGCVPVHVFOECV-ZDUSSCGKSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032872042 780488841 /nfs/dbraw/zinc/48/88/41/780488841.db2.gz BAGCVPVHVFOECV-CYBMUJFWSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032913498 780509639 /nfs/dbraw/zinc/50/96/39/780509639.db2.gz PFERJAKZWIIYOQ-LLVKDONJSA-N 0 3 282.771 2.655 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032948256 780517118 /nfs/dbraw/zinc/51/71/18/780517118.db2.gz MREOBXGJSZJGHA-MRXNPFEDSA-N 0 3 276.424 2.986 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033031977 780535613 /nfs/dbraw/zinc/53/56/13/780535613.db2.gz FFUPIGHMWQIMMI-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076736 780554532 /nfs/dbraw/zinc/55/45/32/780554532.db2.gz NYVUMCZKFXWQGA-HZPDHXFCSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033106890 780566067 /nfs/dbraw/zinc/56/60/67/780566067.db2.gz IZFLHXUXUFANKJ-DOTOQJQBSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033133685 780577102 /nfs/dbraw/zinc/57/71/02/780577102.db2.gz KHGOQTUKUQFZGZ-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033172582 780590285 /nfs/dbraw/zinc/59/02/85/780590285.db2.gz LSDUVZKCLNXRER-LLVKDONJSA-N 0 3 296.823 2.571 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccccc2CC)C1 ZINC001033184297 780608234 /nfs/dbraw/zinc/60/82/34/780608234.db2.gz DFEAGTHTDSQEBV-KRWDZBQOSA-N 0 3 286.419 2.510 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033186252 780608766 /nfs/dbraw/zinc/60/87/66/780608766.db2.gz XKQSXQBWBIVVTG-JKSUJKDBSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001033241010 780628687 /nfs/dbraw/zinc/62/86/87/780628687.db2.gz RTDHGSDDIBZVEV-QGZVFWFLSA-N 0 3 286.419 2.646 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033472547 780694300 /nfs/dbraw/zinc/69/43/00/780694300.db2.gz XWKHEOMILXNHNP-GFCCVEGCSA-N 0 3 296.823 2.571 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033597976 780721796 /nfs/dbraw/zinc/72/17/96/780721796.db2.gz BZLPAFYNYWWGMX-OKZBNKHCSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033621335 780732760 /nfs/dbraw/zinc/73/27/60/780732760.db2.gz YIVQJPNFKMHAJL-LLVKDONJSA-N 0 3 298.333 2.940 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001033641690 780740024 /nfs/dbraw/zinc/74/00/24/780740024.db2.gz BODFKYLLEZILSO-HNNXBMFYSA-N 0 3 297.402 2.890 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033679250 780746439 /nfs/dbraw/zinc/74/64/39/780746439.db2.gz VDQMFIZXNGOHLZ-WMZOPIPTSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033679246 780747358 /nfs/dbraw/zinc/74/73/58/780747358.db2.gz VDQMFIZXNGOHLZ-AEFFLSMTSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695082 780751940 /nfs/dbraw/zinc/75/19/40/780751940.db2.gz WTWQUSNRMILVSF-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001033742077 780771104 /nfs/dbraw/zinc/77/11/04/780771104.db2.gz HOUMUSPRBFAQOS-CYBMUJFWSA-N 0 3 295.814 2.781 20 30 CFEDHN CN1CC=C(c2cnc(C#N)c(C(F)(F)F)c2)CC1 ZINC001241322596 780782139 /nfs/dbraw/zinc/78/21/39/780782139.db2.gz PNZBUNDTNUUXBY-UHFFFAOYSA-N 0 3 267.254 2.691 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001033798364 780789025 /nfs/dbraw/zinc/78/90/25/780789025.db2.gz KOIYXDVSAHCKHN-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033931938 780828787 /nfs/dbraw/zinc/82/87/87/780828787.db2.gz XPZIPAVYFXZVLU-FXUDXRNXSA-N 0 3 276.424 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034034048 780861167 /nfs/dbraw/zinc/86/11/67/780861167.db2.gz JXPZQNOMLKZDKN-GOSISDBHSA-N 0 3 298.430 2.809 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2occc2C)C1 ZINC001034102670 780887090 /nfs/dbraw/zinc/88/70/90/780887090.db2.gz XUYMEEAUJJAQMJ-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034097117 780891459 /nfs/dbraw/zinc/89/14/59/780891459.db2.gz HTJKLDADIRWTRH-AWEZNQCLSA-N 0 3 278.421 2.909 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034097118 780892062 /nfs/dbraw/zinc/89/20/62/780892062.db2.gz HTJKLDADIRWTRH-CQSZACIVSA-N 0 3 278.421 2.909 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001034110630 780894946 /nfs/dbraw/zinc/89/49/46/780894946.db2.gz OYFBWJCIPWUTLM-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034155811 780911195 /nfs/dbraw/zinc/91/11/95/780911195.db2.gz OMQQQGJKEMSLEP-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034265355 780935663 /nfs/dbraw/zinc/93/56/63/780935663.db2.gz KDWKKEMYKIUYOD-HOCLYGCPSA-N 0 3 278.440 2.969 20 30 CFEDHN N#CCc1ncc(C2=CCN(Cc3ccccc3)CC2)cn1 ZINC001241504770 780946910 /nfs/dbraw/zinc/94/69/10/780946910.db2.gz ZSTSUEXZUVHRJC-UHFFFAOYSA-N 0 3 290.370 2.832 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034323673 780947489 /nfs/dbraw/zinc/94/74/89/780947489.db2.gz PQLKZTCRHDHTOV-JYYAWHABSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034345159 780951725 /nfs/dbraw/zinc/95/17/25/780951725.db2.gz MSHGFMZSSKNRDG-WBVHZDCISA-N 0 3 276.424 2.890 20 30 CFEDHN CN1CCC=C(c2ccccc2C2(C#N)CCOCC2)C1 ZINC001241571617 780988637 /nfs/dbraw/zinc/98/86/37/780988637.db2.gz AXWZEJQDGLFHTR-UHFFFAOYSA-N 0 3 282.387 2.977 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)/C=C(\C)C1CC1)CC2 ZINC001035661411 781152538 /nfs/dbraw/zinc/15/25/38/781152538.db2.gz OODXFBOIKGGEFG-XNTDXEJSSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cnccc1C)CC2 ZINC001035676751 781155990 /nfs/dbraw/zinc/15/59/90/781155990.db2.gz GDPTYTMQGWXTJH-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(F)=C(C)C)CC2 ZINC001035684634 781158267 /nfs/dbraw/zinc/15/82/67/781158267.db2.gz CKXKCVPZPCTDKW-UHFFFAOYSA-N 0 3 280.387 2.750 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(CC)CCC1)CC2 ZINC001035775644 781170701 /nfs/dbraw/zinc/17/07/01/781170701.db2.gz WFFDUARYAMHENT-UHFFFAOYSA-N 0 3 288.435 2.514 20 30 CFEDHN [O-]/N=C1/CCc2cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc21 ZINC001242024975 781238626 /nfs/dbraw/zinc/23/86/26/781238626.db2.gz GPAOAPPDWADILT-OFXSGMSSSA-N 0 3 254.333 2.719 20 30 CFEDHN CC1(C)C[C@H](CNCc2nc(C#N)cs2)C(C)(C)O1 ZINC000709666966 781297273 /nfs/dbraw/zinc/29/72/73/781297273.db2.gz GDPYVPMIIAYOIO-SNVBAGLBSA-N 0 3 279.409 2.698 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cccc2c1OCO2 ZINC000710016299 781326848 /nfs/dbraw/zinc/32/68/48/781326848.db2.gz LCXDNPHZBVPCBU-LLVKDONJSA-N 0 3 260.337 2.833 20 30 CFEDHN CC1(C)C[C@@H](CN2CCC[C@@H](C#N)C2)C(C)(C)O1 ZINC000711262159 781404458 /nfs/dbraw/zinc/40/44/58/781404458.db2.gz NMUINNSERCMDMU-STQMWFEESA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCCCC(=O)NC[C@]1(C)CN(C[C@H](C)CC)CCO1 ZINC001108169112 781409548 /nfs/dbraw/zinc/40/95/48/781409548.db2.gz KGLBPWNZWAAALU-NVXWUHKLSA-N 0 3 296.455 2.596 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCC3(CCC3)O2)c(F)c1 ZINC000711479631 781440894 /nfs/dbraw/zinc/44/08/94/781440894.db2.gz FHZQIAHHUGBLEK-CQSZACIVSA-N 0 3 274.339 2.889 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC001079374253 781591887 /nfs/dbraw/zinc/59/18/87/781591887.db2.gz FTOIWMFYYMBCOG-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001079686196 781613692 /nfs/dbraw/zinc/61/36/92/781613692.db2.gz UEPPNFOAVUXLLZ-RBSFLKMASA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001079756908 781617512 /nfs/dbraw/zinc/61/75/12/781617512.db2.gz ZZWSDHBEZLQWKO-RDTXWAMCSA-N 0 3 298.430 2.802 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001079952795 781629637 /nfs/dbraw/zinc/62/96/37/781629637.db2.gz NTVVMXIMICWONR-QLFBSQMISA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001080362926 781651563 /nfs/dbraw/zinc/65/15/63/781651563.db2.gz IMNJKQGXRVNKTJ-CXAGYDPISA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001080490850 781663540 /nfs/dbraw/zinc/66/35/40/781663540.db2.gz MMNFUHOKCMMMSR-HZPDHXFCSA-N 0 3 286.419 2.930 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080984101 781689279 /nfs/dbraw/zinc/68/92/79/781689279.db2.gz HYOHCUSIYFCVQF-RDTXWAMCSA-N 0 3 296.414 2.637 20 30 CFEDHN COCCN(C)Cc1ccnc(-c2ccccc2C#N)c1 ZINC001242716058 781715654 /nfs/dbraw/zinc/71/56/54/781715654.db2.gz QNTQRKAZMILDLD-UHFFFAOYSA-N 0 3 281.359 2.698 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001273212793 781765310 /nfs/dbraw/zinc/76/53/10/781765310.db2.gz SZRFKSHGUSMTET-SAAWNECCSA-N 0 3 296.842 2.515 20 30 CFEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972114 781871375 /nfs/dbraw/zinc/87/13/75/781871375.db2.gz ORLRLHFLOMSQHP-OAGGEKHMSA-N 0 3 290.451 2.615 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCC ZINC001230855049 781875235 /nfs/dbraw/zinc/87/52/35/781875235.db2.gz GXVGPGNFILOFEZ-CVEARBPZSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001085025877 781882671 /nfs/dbraw/zinc/88/26/71/781882671.db2.gz KHHNPDHWSOTASJ-PMPSAXMXSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231147235 781915080 /nfs/dbraw/zinc/91/50/80/781915080.db2.gz ABNATYQQYCLTND-HZPDHXFCSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231147230 781915320 /nfs/dbraw/zinc/91/53/20/781915320.db2.gz ABNATYQQYCLTND-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN N#CC1CCC(CN[C@H]2CCCn3ccnc32)CC1 ZINC000594503975 349433744 /nfs/dbraw/zinc/43/37/44/349433744.db2.gz KTKHSXOXCDWSKC-RUXDESIVSA-N 0 3 258.369 2.638 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H](CO)CC(F)F)cc1 ZINC000594504000 349433908 /nfs/dbraw/zinc/43/39/08/349433908.db2.gz LYYKHVZVIZSZQF-CYBMUJFWSA-N 0 3 282.334 2.593 20 30 CFEDHN CC[C@H](NCc1ccc(C(C)(C)C#N)cc1)[C@H](O)C(F)F ZINC000594508802 349435154 /nfs/dbraw/zinc/43/51/54/349435154.db2.gz WNSGODZGVRUHDS-KBPBESRZSA-N 0 3 296.361 2.982 20 30 CFEDHN Cc1cc(CNCc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000594510218 349435772 /nfs/dbraw/zinc/43/57/72/349435772.db2.gz BBCZSNWVILYFNM-UHFFFAOYSA-N 0 3 268.364 2.809 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000594513751 349437183 /nfs/dbraw/zinc/43/71/83/349437183.db2.gz FQTUOOZOWPCLHR-SNVBAGLBSA-N 0 3 280.393 2.687 20 30 CFEDHN C[C@@H](Cc1ccccn1)NCc1ccc(C#N)c(F)c1 ZINC000594517169 349439164 /nfs/dbraw/zinc/43/91/64/349439164.db2.gz HKOWILWMFYGWHA-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN N#Cc1ccc(C2(NCC3=CCCOC3)CCC2)cc1 ZINC000594520329 349440957 /nfs/dbraw/zinc/44/09/57/349440957.db2.gz MTOPHISJXGPMJO-UHFFFAOYSA-N 0 3 268.360 2.874 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000594615321 349465193 /nfs/dbraw/zinc/46/51/93/349465193.db2.gz SHNLINRYCYOVPR-OAHLLOKOSA-N 0 3 284.403 2.956 20 30 CFEDHN N#Cc1cccc(CNc2ccc([C@H]3CNCCO3)cc2)c1 ZINC000594738892 349485834 /nfs/dbraw/zinc/48/58/34/349485834.db2.gz IWKIJJRLJLCGDM-GOSISDBHSA-N 0 3 293.370 2.831 20 30 CFEDHN N#CCC[C@@H](C#N)CN1CCN(CC2CCCCC2)CC1 ZINC000067649652 346812498 /nfs/dbraw/zinc/81/24/98/346812498.db2.gz WDUXESIUDKHTLD-KRWDZBQOSA-N 0 3 288.439 2.628 20 30 CFEDHN N#CCC1(CNCc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000594937519 349518393 /nfs/dbraw/zinc/51/83/93/349518393.db2.gz PTFJTUHFALHDNH-MRXNPFEDSA-N 0 3 286.375 2.638 20 30 CFEDHN C[C@@H](NCc1ccc(C2(C#N)CC2)cc1)c1cn[nH]c1 ZINC000594939337 349520131 /nfs/dbraw/zinc/52/01/31/349520131.db2.gz VPSCEEYKACXOQC-GFCCVEGCSA-N 0 3 266.348 2.816 20 30 CFEDHN CC1(C)C[C@H](NCc2ccc(C3(C#N)CC3)cc2)CO1 ZINC000594952937 349526367 /nfs/dbraw/zinc/52/63/67/349526367.db2.gz FYOYAECVXJMBTL-HNNXBMFYSA-N 0 3 270.376 2.899 20 30 CFEDHN C[C@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)CO1 ZINC000594947500 349524622 /nfs/dbraw/zinc/52/46/22/349524622.db2.gz FJUQRYGWJLQYSO-WFASDCNBSA-N 0 3 256.349 2.509 20 30 CFEDHN CC1(C)C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)CO1 ZINC000594952938 349526132 /nfs/dbraw/zinc/52/61/32/349526132.db2.gz FYOYAECVXJMBTL-OAHLLOKOSA-N 0 3 270.376 2.899 20 30 CFEDHN CCc1cnc(CNCCc2ccc(C#N)cc2)s1 ZINC000594956212 349528640 /nfs/dbraw/zinc/52/86/40/349528640.db2.gz VZNNXBBZFNGNLV-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN Cc1cc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)ccc1C#N ZINC000594964744 349532966 /nfs/dbraw/zinc/53/29/66/349532966.db2.gz FTVQUOWSOQESNO-JXXFODFXSA-N 0 3 290.432 2.646 20 30 CFEDHN C=CCCSCCNCc1nc2ccccc2n1C ZINC000594960019 349530051 /nfs/dbraw/zinc/53/00/51/349530051.db2.gz IDPVUGHFKRLBJF-UHFFFAOYSA-N 0 3 275.421 2.972 20 30 CFEDHN C=CCCSCCNCc1cccc([N+](=O)[O-])c1 ZINC000594960858 349530192 /nfs/dbraw/zinc/53/01/92/349530192.db2.gz XZRNWNWWJXCJBJ-UHFFFAOYSA-N 0 3 266.366 2.994 20 30 CFEDHN C=CCCSCCNCc1cc2c(c(OC)c1)OCO2 ZINC000594959783 349530239 /nfs/dbraw/zinc/53/02/39/349530239.db2.gz DMWWVSPYVOACTF-UHFFFAOYSA-N 0 3 295.404 2.823 20 30 CFEDHN C=CCCSCCNCc1cnc2ccccn12 ZINC000594960207 349530547 /nfs/dbraw/zinc/53/05/47/349530547.db2.gz NBLNSCXWPOSBGI-UHFFFAOYSA-N 0 3 261.394 2.733 20 30 CFEDHN C=CCCSCCNCc1cnc2nc(C)cc(C)n12 ZINC000594959708 349530653 /nfs/dbraw/zinc/53/06/53/349530653.db2.gz ANRILYFLXQDELB-UHFFFAOYSA-N 0 3 290.436 2.745 20 30 CFEDHN COC1CC(CCNCc2ccc(C#N)cc2F)C1 ZINC000594961058 349531526 /nfs/dbraw/zinc/53/15/26/349531526.db2.gz DSPAQUJQYBTWEO-UHFFFAOYSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H]1CCC[C@H](CNCc2ccc(C#N)c(F)c2)O1 ZINC000594982933 349537785 /nfs/dbraw/zinc/53/77/85/349537785.db2.gz CWWOTSHFEUTCSF-BXUZGUMPSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H]1CCC[C@@H](CNCc2ccc(C#N)c(F)c2)O1 ZINC000594982935 349538187 /nfs/dbraw/zinc/53/81/87/349538187.db2.gz CWWOTSHFEUTCSF-RISCZKNCSA-N 0 3 262.328 2.745 20 30 CFEDHN COc1cc(CNC[C@@H]2C(C)(C)C2(F)F)ccc1C#N ZINC000594991580 349541376 /nfs/dbraw/zinc/54/13/76/349541376.db2.gz JFUZYSPSBDJGHK-CYBMUJFWSA-N 0 3 280.318 2.948 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)s1)C1CCCC1 ZINC000594994623 349542243 /nfs/dbraw/zinc/54/22/43/349542243.db2.gz MWCQNYTZBBAEIE-CQSZACIVSA-N 0 3 264.394 2.915 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCC(F)(F)CC2)c(F)c1 ZINC000595001277 349544336 /nfs/dbraw/zinc/54/43/36/349544336.db2.gz UTGBTKFDQWXMLA-UHFFFAOYSA-N 0 3 298.308 2.727 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cc2n(n1)CCCC2 ZINC000595055411 349567479 /nfs/dbraw/zinc/56/74/79/349567479.db2.gz CJMJPUTZKBMILS-CQSZACIVSA-N 0 3 294.402 2.984 20 30 CFEDHN C[C@@H](N[C@H](CO)C1CCC1)c1ccc(C#N)cc1F ZINC000595057550 349569234 /nfs/dbraw/zinc/56/92/34/349569234.db2.gz ZOOVSBCDAVDBAO-MEBBXXQBSA-N 0 3 262.328 2.509 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2N[C@H]1CCCn2nccc21 ZINC000595037651 349559069 /nfs/dbraw/zinc/55/90/69/349559069.db2.gz BGJZGMMYFNLCCP-CVEARBPZSA-N 0 3 278.359 2.867 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000595079357 349576355 /nfs/dbraw/zinc/57/63/55/349576355.db2.gz WQTJSICRJAWUBZ-LLVKDONJSA-N 0 3 283.393 2.778 20 30 CFEDHN Cc1cncc(CCN[C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000595088363 349577025 /nfs/dbraw/zinc/57/70/25/349577025.db2.gz BGPZZDZQCXDCJV-LBPRGKRZSA-N 0 3 284.338 2.689 20 30 CFEDHN CC[C@@H](NCC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000595090023 349577120 /nfs/dbraw/zinc/57/71/20/349577120.db2.gz BSWXRCWOQASUOZ-UONOGXRCSA-N 0 3 250.386 2.865 20 30 CFEDHN Cn1ncc(C2CCC2)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000595099142 349581401 /nfs/dbraw/zinc/58/14/01/349581401.db2.gz RQKTVQROUJHKIN-OCCSQVGLSA-N 0 3 272.396 2.860 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCC12CCCCC2 ZINC000595251741 349587187 /nfs/dbraw/zinc/58/71/87/349587187.db2.gz WXRVMSQGJAWQCW-KBPBESRZSA-N 0 3 277.412 2.627 20 30 CFEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1F ZINC000595254926 349587420 /nfs/dbraw/zinc/58/74/20/349587420.db2.gz DLINSLZSWJPWQQ-CABCVRRESA-N 0 3 291.370 2.660 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H](N)CCCC#N)CCCC1 ZINC000595257806 349587991 /nfs/dbraw/zinc/58/79/91/349587991.db2.gz XFMSUPWINXTZCL-CQSZACIVSA-N 0 3 277.412 2.650 20 30 CFEDHN C[C@H]1CC[C@@](C)(CNC(=O)[C@H](N)CCCCC#N)C1(C)C ZINC000595255561 349588123 /nfs/dbraw/zinc/58/81/23/349588123.db2.gz FGUBGTBDYHQZBW-VBQJREDUSA-N 0 3 293.455 2.976 20 30 CFEDHN Cc1ccc2oc(CNC(=O)[C@H](N)CCCCC#N)cc2c1 ZINC000595255770 349588296 /nfs/dbraw/zinc/58/82/96/349588296.db2.gz DOXFVHUWAJPECK-OAHLLOKOSA-N 0 3 299.374 2.769 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000595257394 349588359 /nfs/dbraw/zinc/58/83/59/349588359.db2.gz JSWAFNBIJLVVGD-INIZCTEOSA-N 0 3 283.375 2.996 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1CC1CCC1 ZINC000595258554 349588985 /nfs/dbraw/zinc/58/89/85/349588985.db2.gz CQEZQAHEMIVBNL-LSDHHAIUSA-N 0 3 277.412 2.579 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1CC1CCC1 ZINC000595258552 349589023 /nfs/dbraw/zinc/58/90/23/349589023.db2.gz CQEZQAHEMIVBNL-GJZGRUSLSA-N 0 3 277.412 2.579 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000595258613 349589386 /nfs/dbraw/zinc/58/93/86/349589386.db2.gz DMRJCGMSGVTXOV-HZPDHXFCSA-N 0 3 291.439 2.969 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)C1(CO)CC1 ZINC000595071012 349574111 /nfs/dbraw/zinc/57/41/11/349574111.db2.gz XCQKQSHSKBFKON-WDEREUQCSA-N 0 3 262.328 2.509 20 30 CFEDHN N#Cc1ccc(CN2CCN(CCC3CCC3)CC2)cc1 ZINC000595287681 349590572 /nfs/dbraw/zinc/59/05/72/349590572.db2.gz UYMYJYUTYYWOOR-UHFFFAOYSA-N 0 3 283.419 2.866 20 30 CFEDHN C[C@H]1N(CCc2ccc(C#N)cc2)CCOC1(C)C ZINC000595347186 349607358 /nfs/dbraw/zinc/60/73/58/349607358.db2.gz NWXZAWIHCQJNRU-CYBMUJFWSA-N 0 3 258.365 2.600 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2CCCC)CC1 ZINC000068708575 346865631 /nfs/dbraw/zinc/86/56/31/346865631.db2.gz QZVDYNZJOBICEU-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000595447599 349629466 /nfs/dbraw/zinc/62/94/66/349629466.db2.gz IQWRGUDHMWFXLI-RDBSUJKOSA-N 0 3 258.365 2.598 20 30 CFEDHN CC(C)[C@@H]1CN([C@@H](C#N)c2ccccc2)CCN1C ZINC000595461802 349634791 /nfs/dbraw/zinc/63/47/91/349634791.db2.gz NXIOLTPSCOUSIB-HOTGVXAUSA-N 0 3 257.381 2.523 20 30 CFEDHN C[C@@H]1CN([C@H](C#N)c2ccccc2)CCN(C2CC2)C1 ZINC000595506687 349645563 /nfs/dbraw/zinc/64/55/63/349645563.db2.gz GGEUUMXCOQNQBW-WMLDXEAASA-N 0 3 269.392 2.667 20 30 CFEDHN CC(C)O[C@@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595559147 349659800 /nfs/dbraw/zinc/65/98/00/349659800.db2.gz PZZBQVVSHRPYIG-QGZVFWFLSA-N 0 3 272.392 2.990 20 30 CFEDHN CC[C@@H](CC#N)NCC[C@@H]1Sc2ccccc2NC1=O ZINC000595530263 349652140 /nfs/dbraw/zinc/65/21/40/349652140.db2.gz QMKBBFALVYZFLT-FZMZJTMJSA-N 0 3 289.404 2.771 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000069346615 346889452 /nfs/dbraw/zinc/88/94/52/346889452.db2.gz GZIDXJORPCKMJZ-CYBMUJFWSA-N 0 3 276.380 2.668 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H](CO)Cc1ccccc1 ZINC000595590685 349667207 /nfs/dbraw/zinc/66/72/07/349667207.db2.gz APFVDNPJFLZOPB-QGZVFWFLSA-N 0 3 298.361 2.733 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H](CO)Cc1ccccc1 ZINC000595590679 349667214 /nfs/dbraw/zinc/66/72/14/349667214.db2.gz APFVDNPJFLZOPB-KRWDZBQOSA-N 0 3 298.361 2.733 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)NCC2CCCCC2)C1 ZINC000595613775 349676037 /nfs/dbraw/zinc/67/60/37/349676037.db2.gz HIQLNXCKUVSURS-INIZCTEOSA-N 0 3 291.439 2.699 20 30 CFEDHN CC(C)(NCCC(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000595635911 349684473 /nfs/dbraw/zinc/68/44/73/349684473.db2.gz PCMOWRHOXSXNLZ-UHFFFAOYSA-N 0 3 299.418 2.832 20 30 CFEDHN C[C@H]1CC[C@@H](CNC(C)(C)c2cccc(C#N)c2)O1 ZINC000595638386 349685923 /nfs/dbraw/zinc/68/59/23/349685923.db2.gz CMAPAACTYKBQJR-WFASDCNBSA-N 0 3 258.365 2.950 20 30 CFEDHN Cn1c2ccccc2nc1CCN1CCC[C@@H](CC#N)C1 ZINC000595619828 349679825 /nfs/dbraw/zinc/67/98/25/349679825.db2.gz HGEUZXFUAVJUFM-AWEZNQCLSA-N 0 3 282.391 2.741 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000595623342 349680430 /nfs/dbraw/zinc/68/04/30/349680430.db2.gz NLDLVFPLLUGTOT-WMZOPIPTSA-N 0 3 299.418 2.517 20 30 CFEDHN N#CC[C@@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623214 349681087 /nfs/dbraw/zinc/68/10/87/349681087.db2.gz JXCIRQVWLDOKBS-ZWKOTPCHSA-N 0 3 283.419 2.887 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1[C@@H](C)CO ZINC000595678714 349698734 /nfs/dbraw/zinc/69/87/34/349698734.db2.gz UFWVORMZNBRWBR-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000595670265 349695993 /nfs/dbraw/zinc/69/59/93/349695993.db2.gz ACPDOSSFRCDNGX-CJNGLKHVSA-N 0 3 258.365 2.541 20 30 CFEDHN COc1ccc(CN2CCCC[C@H]2[C@H](C)CO)cc1C#N ZINC000595676760 349696743 /nfs/dbraw/zinc/69/67/43/349696743.db2.gz NZTVGPPEXXEPJX-CJNGLKHVSA-N 0 3 288.391 2.550 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)CC1=CCCOC1 ZINC000595751058 349722732 /nfs/dbraw/zinc/72/27/32/349722732.db2.gz GGYHGXAYWZGUIK-UHFFFAOYSA-N 0 3 286.375 2.606 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@](O)(C2CC2)C1 ZINC000595751491 349722793 /nfs/dbraw/zinc/72/27/93/349722793.db2.gz RJOWGGYRVKTOFX-CXAGYDPISA-N 0 3 270.376 2.856 20 30 CFEDHN C[C@@H](NCc1ccncc1C#N)C1CCC(F)CC1 ZINC000595822309 349742120 /nfs/dbraw/zinc/74/21/20/349742120.db2.gz QHIIXOYPHIDTNS-XIKARTHZSA-N 0 3 261.344 2.960 20 30 CFEDHN Cc1cc(CN2CC[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000595779519 349731059 /nfs/dbraw/zinc/73/10/59/349731059.db2.gz BPSVVDYATHVIPP-KGLIPLIRSA-N 0 3 258.365 2.866 20 30 CFEDHN C[C@H]1[C@H](C)N(CCCCC#N)CCN1CCCCC#N ZINC000595886991 349762021 /nfs/dbraw/zinc/76/20/21/349762021.db2.gz QPZPAIDTAQVAKU-HOTGVXAUSA-N 0 3 276.428 2.769 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC2(COC2)C1 ZINC000595834980 349747165 /nfs/dbraw/zinc/74/71/65/349747165.db2.gz QPLQFEUJVUUNHL-UHFFFAOYSA-N 0 3 270.376 2.710 20 30 CFEDHN COC(=O)[C@H]1C[C@@H](N(C)CCC2(C#N)CCCCC2)C1 ZINC000595857469 349756301 /nfs/dbraw/zinc/75/63/01/349756301.db2.gz XMRADGNMVMQSHF-OKILXGFUSA-N 0 3 278.396 2.734 20 30 CFEDHN CCCCC[C@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000595870306 349758380 /nfs/dbraw/zinc/75/83/80/349758380.db2.gz HGPQUHUVIYQKLJ-HNNXBMFYSA-N 0 3 291.439 2.984 20 30 CFEDHN Cn1ncc(C#N)c1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000596052724 349781901 /nfs/dbraw/zinc/78/19/01/349781901.db2.gz IRVWCHVSNGEHBR-INIZCTEOSA-N 0 3 295.390 2.541 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC1(C)C ZINC000595915480 349769168 /nfs/dbraw/zinc/76/91/68/349769168.db2.gz ZRQHBHXTCDDOPW-ZIAGYGMSSA-N 0 3 291.439 2.695 20 30 CFEDHN CC1(C)CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1c1cccs1 ZINC000595947484 349771898 /nfs/dbraw/zinc/77/18/98/349771898.db2.gz MCZMGWZMJQYZDG-WCQYABFASA-N 0 3 291.420 2.679 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000595946566 349772177 /nfs/dbraw/zinc/77/21/77/349772177.db2.gz FPUUQYSXCLOMKZ-JKSUJKDBSA-N 0 3 291.439 2.826 20 30 CFEDHN C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H](N)CCCC#N ZINC000595958815 349772201 /nfs/dbraw/zinc/77/22/01/349772201.db2.gz JDLBRIXFVUPZJS-FUHWJXTLSA-N 0 3 299.418 2.631 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000595959355 349772291 /nfs/dbraw/zinc/77/22/91/349772291.db2.gz ONVCEXDXDFOIQF-IRXDYDNUSA-N 0 3 299.418 2.804 20 30 CFEDHN Cc1cc(NCCN2CCCCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596077425 349788324 /nfs/dbraw/zinc/78/83/24/349788324.db2.gz WBSKMCKLKWLPGH-UHFFFAOYSA-N 0 3 288.351 2.673 20 30 CFEDHN COc1cc(OCc2cccc3c2CCNC3)ccc1C#N ZINC000596071478 349787493 /nfs/dbraw/zinc/78/74/93/349787493.db2.gz NQXLOGNVACBPCL-UHFFFAOYSA-N 0 3 294.354 2.792 20 30 CFEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)[C@H](C)C1 ZINC000072873786 346945887 /nfs/dbraw/zinc/94/58/87/346945887.db2.gz WUKQCNRCGYEUBV-XHSDSOJGSA-N 0 3 299.418 2.910 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(CF)CC1 ZINC000295017121 199301630 /nfs/dbraw/zinc/30/16/30/199301630.db2.gz KEPIOABJGMNXRM-UHFFFAOYSA-N 0 3 261.340 2.880 20 30 CFEDHN CCc1nc2c(s1)[C@@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000335774889 529747444 /nfs/dbraw/zinc/74/74/44/529747444.db2.gz VKKCMSCRSHBGKS-KOLCDFICSA-N 0 3 277.393 2.701 20 30 CFEDHN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]CC2(C)CC2)C1 ZINC000330113328 529760194 /nfs/dbraw/zinc/76/01/94/529760194.db2.gz SDWXUKCAFAYASG-CYBMUJFWSA-N 0 3 290.411 2.797 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@@H](SC)C2)cc1 ZINC000295033203 199310459 /nfs/dbraw/zinc/31/04/59/199310459.db2.gz LWDWGLFPFVRXLE-OAHLLOKOSA-N 0 3 261.390 2.636 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@H]1CCCCN1C1CC1 ZINC000596211948 349828699 /nfs/dbraw/zinc/82/86/99/349828699.db2.gz ZAZIPCGYAKHGBL-OAHLLOKOSA-N 0 3 270.380 2.691 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2nc3ncccc3cc2C#N)C1 ZINC000596336125 349868334 /nfs/dbraw/zinc/86/83/34/349868334.db2.gz MQECOYUYFRYFLO-CQSZACIVSA-N 0 3 295.390 2.786 20 30 CFEDHN CC(C(=O)Nc1ccc(C#N)c(C#N)c1)C(F)(F)F ZINC000074955366 347044741 /nfs/dbraw/zinc/04/47/41/347044741.db2.gz NMWVRPOIIYKEMV-SSDOTTSWSA-N 0 3 267.210 2.567 20 30 CFEDHN CN(CC1CN(C)C1)c1ccc(C#N)cc1C(F)(F)F ZINC000596454842 349906899 /nfs/dbraw/zinc/90/68/99/349906899.db2.gz VQQCUAIGYSVSJG-UHFFFAOYSA-N 0 3 283.297 2.575 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CC1CCN(C)CC1 ZINC000273203040 192073457 /nfs/dbraw/zinc/07/34/57/192073457.db2.gz KDZTUXXXDIPIFG-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)o1 ZINC000075441878 347077722 /nfs/dbraw/zinc/07/77/22/347077722.db2.gz STHYXRWDJNUCTD-CYBMUJFWSA-N 0 3 269.304 2.793 20 30 CFEDHN Cc1ccnc(N[C@@H](C)CN2CCC(C)CC2)c1C#N ZINC000596487652 349917144 /nfs/dbraw/zinc/91/71/44/349917144.db2.gz JDFYAXSOCNSIKO-AWEZNQCLSA-N 0 3 272.396 2.794 20 30 CFEDHN C[C@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCC1CCCC1 ZINC001231282422 781925199 /nfs/dbraw/zinc/92/51/99/781925199.db2.gz LBSWCNWUGFOVHY-ZBFHGGJFSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN(C(=O)NC[C@H](C)N1CCCC[C@@H]1C)C1CC1 ZINC000357569138 260231865 /nfs/dbraw/zinc/23/18/65/260231865.db2.gz KYMNHXTYKBUNBW-KBPBESRZSA-N 0 3 279.428 2.609 20 30 CFEDHN N#CCCCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000286961834 263100363 /nfs/dbraw/zinc/10/03/63/263100363.db2.gz NHHDOSGWFLHNQO-ZDUSSCGKSA-N 0 3 252.745 2.657 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC000668370302 539430639 /nfs/dbraw/zinc/43/06/39/539430639.db2.gz TYYHYXHTGSAWMA-UHFFFAOYSA-N 0 3 284.403 2.944 20 30 CFEDHN Cc1cc(C)c(C#N)c(NCc2ccc3c(c2)CNC3)n1 ZINC000097830062 232180831 /nfs/dbraw/zinc/18/08/31/232180831.db2.gz PDCGVJNVWODTOB-UHFFFAOYSA-N 0 3 278.359 2.785 20 30 CFEDHN C#CCCN1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000127419422 187304784 /nfs/dbraw/zinc/30/47/84/187304784.db2.gz LAPKXPYRPNKEMF-UHFFFAOYSA-N 0 3 290.838 2.914 20 30 CFEDHN C[C@@H](C1CC1)N(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000047909216 346460061 /nfs/dbraw/zinc/46/00/61/346460061.db2.gz OAUSOKBKDOAJQC-ZDUSSCGKSA-N 0 3 289.423 2.592 20 30 CFEDHN C=C(C)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046131 346464170 /nfs/dbraw/zinc/46/41/70/346464170.db2.gz GISPONBCKLZNLZ-AWEZNQCLSA-N 0 3 264.413 2.533 20 30 CFEDHN CC(C)[C@H](N)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000049895982 346486905 /nfs/dbraw/zinc/48/69/05/346486905.db2.gz OREOZCDJQQXBIN-JTQLQIEISA-N 0 3 276.365 2.776 20 30 CFEDHN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000051063133 346499118 /nfs/dbraw/zinc/49/91/18/346499118.db2.gz KAEXLRWXPUHPEK-QGZVFWFLSA-N 0 3 299.418 2.687 20 30 CFEDHN CCN(CC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000052908510 346532131 /nfs/dbraw/zinc/53/21/31/346532131.db2.gz ROXBXFIUKHSSFI-UHFFFAOYSA-N 0 3 277.393 2.823 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ccn(C)c(=O)c1 ZINC000054272563 346563993 /nfs/dbraw/zinc/56/39/93/346563993.db2.gz SWQBYRNDQMJCTL-UHFFFAOYSA-N 0 3 298.386 2.582 20 30 CFEDHN CCOc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000054808825 346577016 /nfs/dbraw/zinc/57/70/16/346577016.db2.gz GXUOCJRFPKKIME-OAHLLOKOSA-N 0 3 295.342 2.982 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc(CC#N)c1 ZINC000055407895 346588270 /nfs/dbraw/zinc/58/82/70/346588270.db2.gz MQLYQSUWVVMHDO-LSDHHAIUSA-N 0 3 299.418 2.603 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1nccc(OC)n1)C(C)C ZINC000058648576 346647397 /nfs/dbraw/zinc/64/73/97/346647397.db2.gz ZTEQNQZKFKFBNP-CQSZACIVSA-N 0 3 290.411 2.596 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000063727581 346708434 /nfs/dbraw/zinc/70/84/34/346708434.db2.gz FSMKSMFJNBJHCM-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN CCCN(C)CC(=O)N(CCC)Cc1ccc(C#N)cc1 ZINC000063761539 346709990 /nfs/dbraw/zinc/70/99/90/346709990.db2.gz NOFIDKAZPWYROE-UHFFFAOYSA-N 0 3 287.407 2.639 20 30 CFEDHN CC(C)(C#N)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062230022 346686832 /nfs/dbraw/zinc/68/68/32/346686832.db2.gz INGOQVOCWJAFCF-INIZCTEOSA-N 0 3 299.418 2.565 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1ccc(Cl)c(C#N)n1 ZINC000067367943 346799706 /nfs/dbraw/zinc/79/97/06/346799706.db2.gz ZZOKUQKVEMBXHS-LLVKDONJSA-N 0 3 278.787 2.893 20 30 CFEDHN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000076110799 347121463 /nfs/dbraw/zinc/12/14/63/347121463.db2.gz KEBCKMLCXKUYHI-CHWSQXEVSA-N 0 3 253.349 2.899 20 30 CFEDHN C=CCCCN(C)C[C@@H](O)c1ccc(F)cc1F ZINC000076734284 347150365 /nfs/dbraw/zinc/15/03/65/347150365.db2.gz XFIIMNPXJWKQKG-CQSZACIVSA-N 0 3 255.308 2.896 20 30 CFEDHN C=CCCCN(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000076736225 347151374 /nfs/dbraw/zinc/15/13/74/347151374.db2.gz FRRYSMHZDZSRLG-UHFFFAOYSA-N 0 3 290.451 2.969 20 30 CFEDHN C[C@@H](CCC(C)(C)C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000076320954 347134015 /nfs/dbraw/zinc/13/40/15/347134015.db2.gz MKHJNSNFOACSRQ-SWLSCSKDSA-N 0 3 287.407 2.889 20 30 CFEDHN C=CCCNc1ccccc1CN1CCC(CO)CC1 ZINC000077245753 347180655 /nfs/dbraw/zinc/18/06/55/347180655.db2.gz ZBQHKEJPVKIYTG-UHFFFAOYSA-N 0 3 274.408 2.879 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2CCC)CC1 ZINC000077307291 347185437 /nfs/dbraw/zinc/18/54/37/347185437.db2.gz WVIIDYIUNJOAIR-DOTOQJQBSA-N 0 3 290.451 2.807 20 30 CFEDHN N#Cc1ccc(CN2CCN(CC3CCCC3)CC2)cc1 ZINC000078453126 347253602 /nfs/dbraw/zinc/25/36/02/347253602.db2.gz GBAXYCWMAYWBPA-UHFFFAOYSA-N 0 3 283.419 2.866 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078660299 347268241 /nfs/dbraw/zinc/26/82/41/347268241.db2.gz PGILVAYXYCKLAD-UHFFFAOYSA-N 0 3 290.367 2.751 20 30 CFEDHN N#Cc1cccc(NC(=O)CCN2CCC23CCC3)c1 ZINC000081516033 347423120 /nfs/dbraw/zinc/42/31/20/347423120.db2.gz SGDVDOULUHTBAU-UHFFFAOYSA-N 0 3 269.348 2.515 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000357843759 539562939 /nfs/dbraw/zinc/56/29/39/539562939.db2.gz XTKMRRMMYUCOCA-DTWKUNHWSA-N 0 3 268.263 2.625 20 30 CFEDHN CCN(CC#N)Cc1ccc(OCCN2CCCC2)cc1 ZINC000092399215 347623452 /nfs/dbraw/zinc/62/34/52/347623452.db2.gz SCMAVEUMIIBZPB-UHFFFAOYSA-N 0 3 287.407 2.507 20 30 CFEDHN CC[C@@H](CNc1snc(Cl)c1C#N)N1CCCC1 ZINC000092607775 347634239 /nfs/dbraw/zinc/63/42/39/347634239.db2.gz DVGILMTYXTXTSI-VIFPVBQESA-N 0 3 284.816 2.954 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746979 347643972 /nfs/dbraw/zinc/64/39/72/347643972.db2.gz KRBJPADTIBVOKM-LBPRGKRZSA-N 0 3 263.360 2.522 20 30 CFEDHN C#CCN(Cc1c(C)nn(CC)c1C)C1CCCC1 ZINC000093819761 347683973 /nfs/dbraw/zinc/68/39/73/347683973.db2.gz OKEPJTMBBSYIHS-UHFFFAOYSA-N 0 3 259.397 2.898 20 30 CFEDHN C=C(C)COc1cc(CN(C)CC(C)(C)O)ccc1OC ZINC000093414769 347673062 /nfs/dbraw/zinc/67/30/62/347673062.db2.gz FNNKJJZDYBPZQS-UHFFFAOYSA-N 0 3 293.407 2.853 20 30 CFEDHN CC(C)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000114729843 347775244 /nfs/dbraw/zinc/77/52/44/347775244.db2.gz SJDFDRRUHIEUFR-PBHICJAKSA-N 0 3 291.439 2.553 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CC)COC)cc1OC ZINC000120198608 347806036 /nfs/dbraw/zinc/80/60/36/347806036.db2.gz UFYVBVNEEGQRMP-CQSZACIVSA-N 0 3 279.380 2.775 20 30 CFEDHN CC#CCCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000155634135 347987902 /nfs/dbraw/zinc/98/79/02/347987902.db2.gz YMPVMOLZJSAHGW-QGZVFWFLSA-N 0 3 275.367 2.985 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc([C@H](C)CC)no2)CC1 ZINC000172908706 348104276 /nfs/dbraw/zinc/10/42/76/348104276.db2.gz AMLPATJNTAJJMQ-GFCCVEGCSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CC1CCN([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000171953244 348084274 /nfs/dbraw/zinc/08/42/74/348084274.db2.gz ROKDPCODODLVEI-INIZCTEOSA-N 0 3 272.392 2.714 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc2ccccc2n1 ZINC000186709975 348129815 /nfs/dbraw/zinc/12/98/15/348129815.db2.gz GWRDIXVLJIIRSJ-OCCSQVGLSA-N 0 3 256.349 2.822 20 30 CFEDHN CO[C@@]1(C)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000230265093 348205069 /nfs/dbraw/zinc/20/50/69/348205069.db2.gz IENXNGCDTWVTDO-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000282161587 348343744 /nfs/dbraw/zinc/34/37/44/348343744.db2.gz DLMYYEKEAKBIJL-BVUBDWEXSA-N 0 3 256.349 2.798 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@@H](O)C1CC1 ZINC000305119662 348380676 /nfs/dbraw/zinc/38/06/76/348380676.db2.gz GPHWITUKBDWXOE-MRXNPFEDSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(C)cc1OC ZINC000320449958 348436779 /nfs/dbraw/zinc/43/67/79/348436779.db2.gz XRJBTYRRAUTKBR-ZIAGYGMSSA-N 0 3 263.381 2.981 20 30 CFEDHN C[C@@H]1CCCN(CCNC(=O)CC2(C#N)CCCCC2)C1 ZINC000596806898 349991794 /nfs/dbraw/zinc/99/17/94/349991794.db2.gz DEFPGSAEXNXVIX-OAHLLOKOSA-N 0 3 291.439 2.699 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C)C2(CCC2)C1 ZINC000357047275 348504297 /nfs/dbraw/zinc/50/42/97/348504297.db2.gz VHEKEOYHRVRRJZ-HUUCEWRRSA-N 0 3 291.439 2.507 20 30 CFEDHN Cc1cc(N[C@H]2CCN(C)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413162554 233026615 /nfs/dbraw/zinc/02/66/15/233026615.db2.gz OQRWYWUXZNLFCI-YPMHNXCESA-N 0 3 288.351 2.670 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC(F)(F)C2)cc1F ZINC000404121649 348589461 /nfs/dbraw/zinc/58/94/61/348589461.db2.gz OFXVMTGYGCZRLV-NSHDSACASA-N 0 3 254.255 2.975 20 30 CFEDHN C[C@@H]1CN(CCC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404450115 348592262 /nfs/dbraw/zinc/59/22/62/348592262.db2.gz YJVSCBAUUWWQPF-BZUAXINKSA-N 0 3 271.408 2.883 20 30 CFEDHN CC(C)O[C@@H]1CCCN(CCOc2cccc(C#N)c2)C1 ZINC000404686074 348594134 /nfs/dbraw/zinc/59/41/34/348594134.db2.gz GKDGHUZQCUQQSE-QGZVFWFLSA-N 0 3 288.391 2.826 20 30 CFEDHN C[C@H](CNC(=O)CCCCCC#N)N1CCCC[C@H]1C ZINC000588150466 348773573 /nfs/dbraw/zinc/77/35/73/348773573.db2.gz VQLQZDLGRVCLKZ-HUUCEWRRSA-N 0 3 279.428 2.840 20 30 CFEDHN N#CCCCCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000588277053 348781946 /nfs/dbraw/zinc/78/19/46/348781946.db2.gz RXVSHFYQFGCLME-UHFFFAOYSA-N 0 3 277.412 2.547 20 30 CFEDHN C[C@H](CNC(=O)CCCCCC#N)N1CCC(C)CC1 ZINC000588326803 348784317 /nfs/dbraw/zinc/78/43/17/348784317.db2.gz ZFEIENKYMHMYLQ-OAHLLOKOSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CCN(CCc1ccccc1)CCn1ccccc1=O ZINC000586830650 348757349 /nfs/dbraw/zinc/75/73/49/348757349.db2.gz PDFLZEMILZHONW-UHFFFAOYSA-N 0 3 282.387 2.579 20 30 CFEDHN COCCOCCN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588981946 348807243 /nfs/dbraw/zinc/80/72/43/348807243.db2.gz RQVAEIJGDDNTQL-UHFFFAOYSA-N 0 3 290.407 2.583 20 30 CFEDHN COC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)cn1C ZINC000589170327 348815483 /nfs/dbraw/zinc/81/54/83/348815483.db2.gz RGINYVJOCULISA-LBPRGKRZSA-N 0 3 297.358 2.534 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)C1CC1 ZINC000589516372 348836860 /nfs/dbraw/zinc/83/68/60/348836860.db2.gz RVHIXZXYLPRSMC-AWEZNQCLSA-N 0 3 298.308 2.780 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)o1 ZINC000588928718 348803618 /nfs/dbraw/zinc/80/36/18/348803618.db2.gz LUBGLTXQXRZUGV-LBPRGKRZSA-N 0 3 290.750 2.670 20 30 CFEDHN CC(C)(CCC#N)CNCc1cn2cccc(F)c2n1 ZINC000588929524 348804490 /nfs/dbraw/zinc/80/44/90/348804490.db2.gz JJRMMQUVSCGCBX-UHFFFAOYSA-N 0 3 274.343 2.893 20 30 CFEDHN Cn1ncc2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc21 ZINC000589727745 348853741 /nfs/dbraw/zinc/85/37/41/348853741.db2.gz BFZHWDDSTBEKQS-SWLSCSKDSA-N 0 3 268.364 2.745 20 30 CFEDHN CC(C)(CCC#N)CNCc1cnnn1-c1ccccc1 ZINC000590067529 348872278 /nfs/dbraw/zinc/87/22/78/348872278.db2.gz PMXUKIKKTYRLPT-UHFFFAOYSA-N 0 3 283.379 2.687 20 30 CFEDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CC1(C#N)CC1)N(C)C ZINC000590336650 348894712 /nfs/dbraw/zinc/89/47/12/348894712.db2.gz FVGIKUSZHCGDLA-RHSMWYFYSA-N 0 3 299.418 2.796 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CC23CCC(CC2)C3)CC1 ZINC000590709390 348932506 /nfs/dbraw/zinc/93/25/06/348932506.db2.gz QTEQLKDLYOULFW-AQFXKWCLSA-N 0 3 275.440 2.732 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(C#N)cc1F ZINC000590746095 348941194 /nfs/dbraw/zinc/94/11/94/348941194.db2.gz XNOYPBIVLMXNLK-RSQPEXBXSA-N 0 3 262.328 2.914 20 30 CFEDHN CC[C@@H](C)N[C@H](CNC(=O)CC1(C#N)CC1)c1ccco1 ZINC000590759002 348943532 /nfs/dbraw/zinc/94/35/32/348943532.db2.gz VRXSFUJNLKPRCX-CHWSQXEVSA-N 0 3 289.379 2.519 20 30 CFEDHN CC1(C#N)CN(Cc2ccc(OCCN3CCCC3)cc2)C1 ZINC000590967963 348973909 /nfs/dbraw/zinc/97/39/09/348973909.db2.gz SNTMEFMCTIYXTN-UHFFFAOYSA-N 0 3 299.418 2.507 20 30 CFEDHN C=C(C)[C@@H](CO)N(CCC)Cc1ccc(C#N)cc1 ZINC000591010958 348977481 /nfs/dbraw/zinc/97/74/81/348977481.db2.gz GHRUHHAMTGGAEK-MRXNPFEDSA-N 0 3 258.365 2.707 20 30 CFEDHN N#CCC[C@H](C#N)CNC1CCC(OC(F)F)CC1 ZINC000591770417 349043599 /nfs/dbraw/zinc/04/35/99/349043599.db2.gz DWXVAIYCZGCYOG-VOMCLLRMSA-N 0 3 271.311 2.570 20 30 CFEDHN CC[C@H]1CN(C)CCN1Cc1ccc(Cl)cc1C#N ZINC000591850027 349050718 /nfs/dbraw/zinc/05/07/18/349050718.db2.gz RCMCSLUBRHKZTL-HNNXBMFYSA-N 0 3 277.799 2.738 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(C)oc(C)c2C)CC1 ZINC000592069482 349078578 /nfs/dbraw/zinc/07/85/78/349078578.db2.gz RPDCKYPGGZXCOZ-UHFFFAOYSA-N 0 3 276.380 2.585 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccncc2C#N)[C@H](C)[C@@H]1OC ZINC000592114165 349084940 /nfs/dbraw/zinc/08/49/40/349084940.db2.gz VNENGQOEYWWKOL-MAZHCROVSA-N 0 3 287.407 2.883 20 30 CFEDHN CC(C)(C)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592144955 349090221 /nfs/dbraw/zinc/09/02/21/349090221.db2.gz KYDSIQTVLCYKJK-QGZVFWFLSA-N 0 3 272.392 2.835 20 30 CFEDHN N#CCCCN(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592138900 349090233 /nfs/dbraw/zinc/09/02/33/349090233.db2.gz FKCAEITVNOWBRE-KRWDZBQOSA-N 0 3 272.392 2.953 20 30 CFEDHN Cc1ccc2ccccc2c1CN1CC[C@@](O)(CC#N)C1 ZINC000592149676 349091853 /nfs/dbraw/zinc/09/18/53/349091853.db2.gz UFVUAICCJYSIJX-SFHVURJKSA-N 0 3 280.371 2.999 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccc(F)cc2)[C@@H]1SC ZINC000592172628 349094923 /nfs/dbraw/zinc/09/49/23/349094923.db2.gz HQQFKDPRNRHKAL-OAGGEKHMSA-N 0 3 293.407 2.676 20 30 CFEDHN CCc1nc2ccccc2c(N2CC[C@](O)(CC#N)C2)c1C ZINC000591975549 349067777 /nfs/dbraw/zinc/06/77/77/349067777.db2.gz PDGNTYDISSQQPB-GOSISDBHSA-N 0 3 295.386 2.961 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000592368418 349110153 /nfs/dbraw/zinc/11/01/53/349110153.db2.gz IGBMCQLZKMGQNA-WPGHFRTFSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000592368416 349110760 /nfs/dbraw/zinc/11/07/60/349110760.db2.gz IGBMCQLZKMGQNA-DIOULYMOSA-N 0 3 256.349 2.703 20 30 CFEDHN CC[C@@H](C)C[C@H](CO)NCc1ccc(C#N)cc1F ZINC000592374789 349111296 /nfs/dbraw/zinc/11/12/96/349111296.db2.gz JDCQRJSSYVRASA-BXUZGUMPSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@@H](NCc2cccc(C#N)c2)C1 ZINC000592374362 349111426 /nfs/dbraw/zinc/11/14/26/349111426.db2.gz CGUFERZCSMXMNC-GASCZTMLSA-N 0 3 258.365 2.994 20 30 CFEDHN C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc32)CCN1 ZINC000592441478 349119426 /nfs/dbraw/zinc/11/94/26/349119426.db2.gz IVBOSRGGKDRTRO-JTQLQIEISA-N 0 3 286.766 2.558 20 30 CFEDHN CCC[C@@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592522235 349132502 /nfs/dbraw/zinc/13/25/02/349132502.db2.gz JPXXVLSASSICEY-IRXDYDNUSA-N 0 3 272.392 2.921 20 30 CFEDHN N#CC[C@]1(O)CCN(CCCCCOc2ccccc2)C1 ZINC000592521683 349132837 /nfs/dbraw/zinc/13/28/37/349132837.db2.gz AMXJNELBRHOEGP-KRWDZBQOSA-N 0 3 288.391 2.586 20 30 CFEDHN CCN(CCSC)Cc1ccc(C#N)c(OC)c1 ZINC000592531128 349136960 /nfs/dbraw/zinc/13/69/60/349136960.db2.gz SGOVRHYRLFMBRI-UHFFFAOYSA-N 0 3 264.394 2.752 20 30 CFEDHN C[C@@H]1SCC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000592904834 349176724 /nfs/dbraw/zinc/17/67/24/349176724.db2.gz SZTRQXGDCBTXLO-AEGPPILISA-N 0 3 288.416 2.769 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000592936529 349178331 /nfs/dbraw/zinc/17/83/31/349178331.db2.gz RMIMEEALTRTKPA-CABZTGNLSA-N 0 3 296.729 2.539 20 30 CFEDHN CN(C)[C@H](CNc1cccnc1C#N)c1cccc(F)c1 ZINC000274005283 192398844 /nfs/dbraw/zinc/39/88/44/192398844.db2.gz KGHDZIAZQOLFPW-MRXNPFEDSA-N 0 3 284.338 2.807 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1F ZINC000592832265 349169245 /nfs/dbraw/zinc/16/92/45/349169245.db2.gz RXNYAVNHUGDATM-WBMJQRKESA-N 0 3 274.339 2.909 20 30 CFEDHN C=CCOCCN1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593093728 349207893 /nfs/dbraw/zinc/20/78/93/349207893.db2.gz FHICZXBSMFTXEM-AWEZNQCLSA-N 0 3 283.412 2.775 20 30 CFEDHN CCOC(=O)C(C)(C)CCC[C@H](C)NC[C@@H](C)C#N ZINC000593615451 349299843 /nfs/dbraw/zinc/29/98/43/349299843.db2.gz PLMDERRERKCHDZ-STQMWFEESA-N 0 3 268.401 2.884 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@H](c1ccsc1)N(CC)CC ZINC000593410091 349262915 /nfs/dbraw/zinc/26/29/15/349262915.db2.gz IIIMZOBEZOIDMU-GXTWGEPZSA-N 0 3 293.436 2.797 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000593436799 349269538 /nfs/dbraw/zinc/26/95/38/349269538.db2.gz JYRCDHSCNBQAQF-RDJZCZTQSA-N 0 3 299.418 2.798 20 30 CFEDHN CCC(C#N)C(=O)N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000593482875 349280316 /nfs/dbraw/zinc/28/03/16/349280316.db2.gz UEVRKWGFDHODMC-LLVKDONJSA-N 0 3 274.368 2.758 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000593814461 349329445 /nfs/dbraw/zinc/32/94/45/349329445.db2.gz SNIKJLVAQYUBNS-GHMZBOCLSA-N 0 3 276.767 2.988 20 30 CFEDHN CN(CCCNC(=O)CCCCC#N)Cc1ccccc1 ZINC000593956225 349339396 /nfs/dbraw/zinc/33/93/96/349339396.db2.gz ZUWUZUIFPMERKF-UHFFFAOYSA-N 0 3 287.407 2.709 20 30 CFEDHN CC[C@@H](CC#N)NCCCN(CC)CC(F)(F)F ZINC000594006855 349352210 /nfs/dbraw/zinc/35/22/10/349352210.db2.gz QCHJEPDCGHZHHZ-NSHDSACASA-N 0 3 265.323 2.543 20 30 CFEDHN N#Cc1csc(CNC[C@]2(CO)CCc3ccccc32)c1 ZINC000593652867 349304160 /nfs/dbraw/zinc/30/41/60/349304160.db2.gz NPLPVYIBKMCSON-KRWDZBQOSA-N 0 3 298.411 2.586 20 30 CFEDHN C[C@H](CC1CCOCC1)NCC1(C#N)CCCC1 ZINC000593653402 349305182 /nfs/dbraw/zinc/30/51/82/349305182.db2.gz JUGOKLAOIDNGTF-CYBMUJFWSA-N 0 3 250.386 2.865 20 30 CFEDHN CC[C@H](C#N)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000593707082 349312934 /nfs/dbraw/zinc/31/29/34/349312934.db2.gz AYFCJMVOLKJBJW-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CCC(C#N)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000593748387 349320562 /nfs/dbraw/zinc/32/05/62/349320562.db2.gz YKPOMQQKXXLLHZ-XQQFMLRXSA-N 0 3 294.395 2.505 20 30 CFEDHN C[C@H](CN(C)C(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594437304 349422625 /nfs/dbraw/zinc/42/26/25/349422625.db2.gz LFQVXLWQSWBNQN-GDBMZVCRSA-N 0 3 287.407 2.660 20 30 CFEDHN CCC[C@@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594438703 349422825 /nfs/dbraw/zinc/42/28/25/349422825.db2.gz VTFRUKFNUFGCLO-ZIAGYGMSSA-N 0 3 265.401 2.579 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(F)c1F ZINC000594443819 349423426 /nfs/dbraw/zinc/42/34/26/349423426.db2.gz VETZPQAWMRNCDE-GXFFZTMASA-N 0 3 295.333 2.553 20 30 CFEDHN CC(C)CC[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594443570 349423734 /nfs/dbraw/zinc/42/37/34/349423734.db2.gz RPPXXWBHIOTDEB-GJZGRUSLSA-N 0 3 279.428 2.825 20 30 CFEDHN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](N)CCCCC#N)C1 ZINC000594445258 349424312 /nfs/dbraw/zinc/42/43/12/349424312.db2.gz CDMGBOVCJLQCTO-MGPQQGTHSA-N 0 3 297.468 2.530 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000594448030 349424964 /nfs/dbraw/zinc/42/49/64/349424964.db2.gz YOOPVWIRFJVRGN-CYBMUJFWSA-N 0 3 291.782 2.640 20 30 CFEDHN CCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597003459 350015128 /nfs/dbraw/zinc/01/51/28/350015128.db2.gz HKAATELZJUMAAU-OAHLLOKOSA-N 0 3 283.419 2.768 20 30 CFEDHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)cc1F ZINC000597080478 350025512 /nfs/dbraw/zinc/02/55/12/350025512.db2.gz NTVLDDDKVOMNOW-YNZJMPHRSA-N 0 3 274.339 2.915 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597112626 350030786 /nfs/dbraw/zinc/03/07/86/350030786.db2.gz FPAWUEADFHFEIS-UHFFFAOYSA-N 0 3 270.376 2.876 20 30 CFEDHN CC(C)(C)CC(C)(C)NC(=O)[C@H](N)CCCCC#N ZINC000594424375 349417266 /nfs/dbraw/zinc/41/72/66/349417266.db2.gz CDOXGVZSLWQOBH-GFCCVEGCSA-N 0 3 267.417 2.729 20 30 CFEDHN CC(C)[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594425969 349418069 /nfs/dbraw/zinc/41/80/69/349418069.db2.gz NNMCFXBEMKAEKW-HOTGVXAUSA-N 0 3 287.407 2.911 20 30 CFEDHN Cc1c(Cl)cccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594427928 349418566 /nfs/dbraw/zinc/41/85/66/349418566.db2.gz YBBWJJPUBCAQOJ-LBPRGKRZSA-N 0 3 279.771 2.998 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000594427941 349418706 /nfs/dbraw/zinc/41/87/06/349418706.db2.gz YFPNNOGVLHKXRH-AWEZNQCLSA-N 0 3 265.401 2.579 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2ncsc2c1 ZINC000594429825 349419365 /nfs/dbraw/zinc/41/93/65/349419365.db2.gz WSOPXPSXEZKAJR-NSHDSACASA-N 0 3 288.376 2.646 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000594429926 349419402 /nfs/dbraw/zinc/41/94/02/349419402.db2.gz WRIHKGACSFXHGP-DOTOQJQBSA-N 0 3 299.418 2.634 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000594429053 349419414 /nfs/dbraw/zinc/41/94/14/349419414.db2.gz QBQWWEXNHBKZAN-ZIAGYGMSSA-N 0 3 291.420 2.823 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)[C@H]2CCCC[C@@H]12 ZINC000594429292 349419810 /nfs/dbraw/zinc/41/98/10/349419810.db2.gz SFYHWIHAJKFOHH-QXSJWSMHSA-N 0 3 291.439 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCCc1cc2ccccc2o1 ZINC000594433652 349420443 /nfs/dbraw/zinc/42/04/43/349420443.db2.gz QCNNNJFCORWRKQ-OAHLLOKOSA-N 0 3 299.374 2.503 20 30 CFEDHN C[C@@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCCC#N ZINC000594433145 349421002 /nfs/dbraw/zinc/42/10/02/349421002.db2.gz CIANHVPJAFNYQB-CZUORRHYSA-N 0 3 285.391 2.544 20 30 CFEDHN CCC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594436549 349421308 /nfs/dbraw/zinc/42/13/08/349421308.db2.gz KGCDUCXIFRLDDQ-QLFBSQMISA-N 0 3 279.428 2.873 20 30 CFEDHN C[C@H]1Cc2ccccc2N(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594434269 349421491 /nfs/dbraw/zinc/42/14/91/349421491.db2.gz MBYLBJWOTLJFFY-DZGCQCFKSA-N 0 3 285.391 2.623 20 30 CFEDHN CC(C)C1CCC(NC(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594433999 349421803 /nfs/dbraw/zinc/42/18/03/349421803.db2.gz WFCPHDJUPAQQLY-NRXISQOPSA-N 0 3 279.428 2.729 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC1(C)C ZINC000597253487 350073708 /nfs/dbraw/zinc/07/37/08/350073708.db2.gz BMRSPNPSGDYSPY-ZDUSSCGKSA-N 0 3 268.364 2.684 20 30 CFEDHN CN(CCN(C)C1CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597128601 350034256 /nfs/dbraw/zinc/03/42/56/350034256.db2.gz BUQNBKKLLRZUHN-UHFFFAOYSA-N 0 3 283.419 2.768 20 30 CFEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597135909 350036070 /nfs/dbraw/zinc/03/60/70/350036070.db2.gz PHRCEFHFUOYUJS-QGZVFWFLSA-N 0 3 283.419 2.768 20 30 CFEDHN Cc1cc(CN2CCC[C@H](CC#N)C2)ccc1-n1cncn1 ZINC000597173192 350042942 /nfs/dbraw/zinc/04/29/42/350042942.db2.gz GVJJCYFHINDMRT-OAHLLOKOSA-N 0 3 295.390 2.701 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc3[nH]cnc3c2)C1 ZINC000597174609 350044624 /nfs/dbraw/zinc/04/46/24/350044624.db2.gz SCDLGTHRFCBMPO-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc3nc[nH]c3c2)C1 ZINC000597174609 350044625 /nfs/dbraw/zinc/04/46/25/350044625.db2.gz SCDLGTHRFCBMPO-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN CN(C(=O)CC1(C#N)CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000597210377 350056830 /nfs/dbraw/zinc/05/68/30/350056830.db2.gz GITSFWXSSYOJKA-HNNXBMFYSA-N 0 3 289.423 2.546 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)o1 ZINC000597225072 350062880 /nfs/dbraw/zinc/06/28/80/350062880.db2.gz NAVRECNMLFPHOF-BBRMVZONSA-N 0 3 274.364 2.932 20 30 CFEDHN C[C@@H](CC#N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000597328039 350084274 /nfs/dbraw/zinc/08/42/74/350084274.db2.gz IWLNZPSXWYNHKH-RDJZCZTQSA-N 0 3 299.418 2.659 20 30 CFEDHN C=C(C)COCCNCc1ccc2cnccc2c1 ZINC000232475452 539751325 /nfs/dbraw/zinc/75/13/25/539751325.db2.gz WQWGNCRCGQFLIP-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000090884018 180053249 /nfs/dbraw/zinc/05/32/49/180053249.db2.gz BOXVHWIOFJEPCL-ZDUSSCGKSA-N 0 3 288.395 2.589 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCCOCCC=C)cc1 ZINC000090883959 180053254 /nfs/dbraw/zinc/05/32/54/180053254.db2.gz RHOMNUAYEXATDV-OAHLLOKOSA-N 0 3 273.376 2.942 20 30 CFEDHN CN1CCC(CC(=O)NC(C)(C)c2cccc(C#N)c2)CC1 ZINC000597948993 350160479 /nfs/dbraw/zinc/16/04/79/350160479.db2.gz BGLYYRJNZZKGIT-UHFFFAOYSA-N 0 3 299.418 2.641 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC12CCOCC2 ZINC000597946168 350160671 /nfs/dbraw/zinc/16/06/71/350160671.db2.gz ZUNXRHQEWZJQBT-INIZCTEOSA-N 0 3 298.386 2.540 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000598223772 350220249 /nfs/dbraw/zinc/22/02/49/350220249.db2.gz MZJCHPRDOPQETG-BXUZGUMPSA-N 0 3 290.338 2.664 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1F ZINC000598197359 350211941 /nfs/dbraw/zinc/21/19/41/350211941.db2.gz VWSQMSXXZYAJPR-GWCFXTLKSA-N 0 3 276.311 2.657 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc(CC#N)cc1 ZINC000598261399 350225754 /nfs/dbraw/zinc/22/57/54/350225754.db2.gz FDAHNVHSSOTWAB-OAHLLOKOSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2csc(C)n2)CC1 ZINC000677797336 539783520 /nfs/dbraw/zinc/78/35/20/539783520.db2.gz JHDSQMBHNVWXEF-UHFFFAOYSA-N 0 3 294.424 2.614 20 30 CFEDHN CCN(C(=O)C1CCN(Cc2ccccc2)CC1)[C@H](C)C#N ZINC000598356526 350246207 /nfs/dbraw/zinc/24/62/07/350246207.db2.gz QOTANLBMPFPPRT-OAHLLOKOSA-N 0 3 299.418 2.659 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC1=CCCC1 ZINC000598377718 350252045 /nfs/dbraw/zinc/25/20/45/350252045.db2.gz ZZAYUKROCOPAFL-INIZCTEOSA-N 0 3 268.360 2.985 20 30 CFEDHN CN(C[C@@H]1CC1(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598551064 350281944 /nfs/dbraw/zinc/28/19/44/350281944.db2.gz PHEHBDPDKCMSKZ-CVEARBPZSA-N 0 3 295.386 2.745 20 30 CFEDHN CC(C#N)C(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC000598577893 350284870 /nfs/dbraw/zinc/28/48/70/350284870.db2.gz NDCABVJRPINRCU-BLLLJJGKSA-N 0 3 256.349 2.630 20 30 CFEDHN C[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000598622421 350295826 /nfs/dbraw/zinc/29/58/26/350295826.db2.gz JVYVPEMABVQYAR-LSDHHAIUSA-N 0 3 294.439 2.711 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccnn2CCc2ccccc2)C1 ZINC000598645389 350300408 /nfs/dbraw/zinc/30/04/08/350300408.db2.gz JMLAVBQTMQCDGP-SJORKVTESA-N 0 3 294.402 2.908 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC(C)(C)CC[C@@H]1CO ZINC000598648554 350302268 /nfs/dbraw/zinc/30/22/68/350302268.db2.gz PNUNVNHGRXYVEA-MRXNPFEDSA-N 0 3 272.392 2.850 20 30 CFEDHN CC(=O)N1CC[C@@H](N[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000598680353 350309159 /nfs/dbraw/zinc/30/91/59/350309159.db2.gz XRGNGMCGUIOZDV-SQWLQELKSA-N 0 3 283.375 2.766 20 30 CFEDHN COc1ccc(Cl)cc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598699501 350311990 /nfs/dbraw/zinc/31/19/90/350311990.db2.gz FDSVDBBPMQWTAY-ZDUSSCGKSA-N 0 3 296.798 2.739 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCc2ccc(F)cc21 ZINC000598721935 350318853 /nfs/dbraw/zinc/31/88/53/350318853.db2.gz YCJOAQAZQLYILR-HIFRSBDPSA-N 0 3 276.355 2.703 20 30 CFEDHN CCc1ccc(CN(C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598587207 350286543 /nfs/dbraw/zinc/28/65/43/350286543.db2.gz PFUAWIFENFGEDI-INIZCTEOSA-N 0 3 274.408 2.982 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1[N+](=O)[O-] ZINC000598602206 350291964 /nfs/dbraw/zinc/29/19/64/350291964.db2.gz RKDNZEUZTQPZME-NWDGAFQWSA-N 0 3 291.351 2.546 20 30 CFEDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598604384 350292005 /nfs/dbraw/zinc/29/20/05/350292005.db2.gz MIZHNENYPBHXRF-VNQPRFMTSA-N 0 3 287.407 2.765 20 30 CFEDHN COc1ccccc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598601765 350292188 /nfs/dbraw/zinc/29/21/88/350292188.db2.gz VXOPLRNTDWXKGR-QWHCGFSZSA-N 0 3 276.380 2.647 20 30 CFEDHN Cc1cc(CNCCCCC#N)ncc1Br ZINC000598963857 350350585 /nfs/dbraw/zinc/35/05/85/350350585.db2.gz QYSZNSKHNSLTTN-UHFFFAOYSA-N 0 3 282.185 2.936 20 30 CFEDHN CCC[C@H](CNCc1cnc2ccc(C#N)cn12)OCC ZINC000598989437 350354704 /nfs/dbraw/zinc/35/47/04/350354704.db2.gz ILMWAFKRICOLJO-OAHLLOKOSA-N 0 3 286.379 2.501 20 30 CFEDHN COCC#CCN1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000677819930 539794308 /nfs/dbraw/zinc/79/43/08/539794308.db2.gz DGYOXADHTNJLQZ-RDJZCZTQSA-N 0 3 257.377 2.762 20 30 CFEDHN Cc1ccc(CN(CCO)Cc2ccccc2)cc1C#N ZINC000599284651 350405940 /nfs/dbraw/zinc/40/59/40/350405940.db2.gz WYYMKHJFXRORHU-UHFFFAOYSA-N 0 3 280.371 2.861 20 30 CFEDHN Cc1ccc(CN(C)C[C@H]2CCCCO2)cc1C#N ZINC000599270397 350402656 /nfs/dbraw/zinc/40/26/56/350402656.db2.gz INHRMKSPDXDZFK-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN Cc1noc([C@@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599271245 350402701 /nfs/dbraw/zinc/40/27/01/350402701.db2.gz VVQUDIBZRXEKLE-OAHLLOKOSA-N 0 3 296.374 2.938 20 30 CFEDHN Cc1ccc(CN(C)C[C@H](O)Cc2ccccc2)cc1C#N ZINC000599426834 350434742 /nfs/dbraw/zinc/43/47/42/350434742.db2.gz RTZFMXUCBGVFQV-LJQANCHMSA-N 0 3 294.398 2.902 20 30 CFEDHN Cc1ccc(CN2CC[C@H](O)CC(C)(C)C2)cc1C#N ZINC000599432786 350436899 /nfs/dbraw/zinc/43/68/99/350436899.db2.gz CVBNPEXSPRVNJB-INIZCTEOSA-N 0 3 272.392 2.850 20 30 CFEDHN COC[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599435518 350437840 /nfs/dbraw/zinc/43/78/40/350437840.db2.gz XARHMVCZUZJROR-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599295720 350408453 /nfs/dbraw/zinc/40/84/53/350408453.db2.gz CULGCHQBZZUFIB-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@H]2[C@@H](C)O)cc1C#N ZINC000599298281 350409251 /nfs/dbraw/zinc/40/92/51/350409251.db2.gz XHMWTBAICFKGAS-CZUORRHYSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1ccc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)cc1C#N ZINC000599383900 350428692 /nfs/dbraw/zinc/42/86/92/350428692.db2.gz HOZVVKUBDUTXPH-JDFRZJQESA-N 0 3 272.392 2.848 20 30 CFEDHN Cc1ccc(CN2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1C#N ZINC000599383902 350428723 /nfs/dbraw/zinc/42/87/23/350428723.db2.gz HOZVVKUBDUTXPH-RVSPLBMKSA-N 0 3 272.392 2.848 20 30 CFEDHN Cc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)cc1C#N ZINC000599388198 350429903 /nfs/dbraw/zinc/42/99/03/350429903.db2.gz DBRJZMYXWPDNMM-MRXNPFEDSA-N 0 3 278.355 2.829 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](C(=O)NC(C)C)C2)cc1C#N ZINC000599481346 350444830 /nfs/dbraw/zinc/44/48/30/350444830.db2.gz KNSQXCCQHBISGN-INIZCTEOSA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H](C)C1(F)F ZINC000599516186 350449207 /nfs/dbraw/zinc/44/92/07/350449207.db2.gz XJBRQCMAOWFTTJ-UTUOFQBUSA-N 0 3 274.355 2.510 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000599526650 350450255 /nfs/dbraw/zinc/45/02/55/350450255.db2.gz ONOJTBSWQHVKNO-LBPRGKRZSA-N 0 3 263.337 2.773 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2csc(C(=O)OC)c2)C1 ZINC000599529277 350451658 /nfs/dbraw/zinc/45/16/58/350451658.db2.gz LOMYXAGEBDOKKS-LLVKDONJSA-N 0 3 265.378 2.933 20 30 CFEDHN C=C(C)CN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599590444 350460875 /nfs/dbraw/zinc/46/08/75/350460875.db2.gz XGXHTGMSKAGDBW-OLZOCXBDSA-N 0 3 253.386 2.862 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2[C@@H](C)CO)cc1C#N ZINC000599465297 350441173 /nfs/dbraw/zinc/44/11/73/350441173.db2.gz FGCLDVLIZIMRSP-YOEHRIQHSA-N 0 3 272.392 2.850 20 30 CFEDHN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1F ZINC000599454844 350441683 /nfs/dbraw/zinc/44/16/83/350441683.db2.gz WUPLSZRBQBTSKZ-SWLSCSKDSA-N 0 3 276.355 2.921 20 30 CFEDHN N#Cc1ccc(CCN2CCc3c(O)cccc3C2)cc1 ZINC000599645791 350470807 /nfs/dbraw/zinc/47/08/07/350470807.db2.gz FBJWQMHXAGQQAG-UHFFFAOYSA-N 0 3 278.355 2.865 20 30 CFEDHN CC1(C)C[C@@H](N2CCc3c(CC#N)cccc3C2)CO1 ZINC000599679115 350480640 /nfs/dbraw/zinc/48/06/40/350480640.db2.gz WHZOFKWHXOILDR-OAHLLOKOSA-N 0 3 270.376 2.678 20 30 CFEDHN CC(C)OCCN1CCc2c(CC#N)cccc2C1 ZINC000599685256 350482104 /nfs/dbraw/zinc/48/21/04/350482104.db2.gz CFCRZUGYONNCSZ-UHFFFAOYSA-N 0 3 258.365 2.536 20 30 CFEDHN COC(=O)C1C[C@H](C)N(CCC(C)(C)C#N)[C@@H](C)C1 ZINC000599692735 350484141 /nfs/dbraw/zinc/48/41/41/350484141.db2.gz BEOKRUOUIBBLQJ-RYUDHWBXSA-N 0 3 266.385 2.588 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000600185348 350534510 /nfs/dbraw/zinc/53/45/10/350534510.db2.gz LHUITQSUBTVUIN-ZDUSSCGKSA-N 0 3 276.380 2.518 20 30 CFEDHN COc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1OCCCC#N ZINC000600188317 350534848 /nfs/dbraw/zinc/53/48/48/350534848.db2.gz ADBGMYMLQYUFGV-GASCZTMLSA-N 0 3 286.375 2.829 20 30 CFEDHN N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3)C2)cc1 ZINC000107634879 186183067 /nfs/dbraw/zinc/18/30/67/186183067.db2.gz IFCBVMUKULPLKD-QGZVFWFLSA-N 0 3 297.402 2.649 20 30 CFEDHN CCC(F)(F)CNC(=O)C(C#N)CCc1ccccc1 ZINC000600380232 350552114 /nfs/dbraw/zinc/55/21/14/350552114.db2.gz RTKGFHZKJNCWMD-ZDUSSCGKSA-N 0 3 280.318 2.920 20 30 CFEDHN CCOCCN(C(=O)C(C)C#N)[C@H]1CCc2ccccc21 ZINC000600449781 350556475 /nfs/dbraw/zinc/55/64/75/350556475.db2.gz VYFJSYOVLZXBCR-CJNGLKHVSA-N 0 3 286.375 2.699 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)o2)c2cc(F)ccc2CN1 ZINC000600770434 350608648 /nfs/dbraw/zinc/60/86/48/350608648.db2.gz ZDZGTFTWJPGYBN-LLVKDONJSA-N 0 3 285.322 2.789 20 30 CFEDHN CN(C)CCn1cc(-c2ccc(C#N)c(Cl)c2)cn1 ZINC000600778165 350609925 /nfs/dbraw/zinc/60/99/25/350609925.db2.gz UQPGUWKAQWKPBS-UHFFFAOYSA-N 0 3 274.755 2.637 20 30 CFEDHN CC(C)[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000109462049 186253673 /nfs/dbraw/zinc/25/36/73/186253673.db2.gz ZQFXGYAOLGNWBW-OAHLLOKOSA-N 0 3 271.364 2.617 20 30 CFEDHN CCOC(=O)C1(C)CC(N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000601265849 350712403 /nfs/dbraw/zinc/71/24/03/350712403.db2.gz XJJVVKSZLLPSEA-OLJMKKDRSA-N 0 3 286.375 2.941 20 30 CFEDHN COc1cccc2c1OCCC[C@H]2NCCCC#N ZINC000601275490 350714489 /nfs/dbraw/zinc/71/44/89/350714489.db2.gz AOBOTJLEEYDONI-CYBMUJFWSA-N 0 3 260.337 2.802 20 30 CFEDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)cc1 ZINC000601153838 350683650 /nfs/dbraw/zinc/68/36/50/350683650.db2.gz UYXVXSVLRTYLMQ-SFHVURJKSA-N 0 3 298.361 2.781 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1c1ccc(Cl)c(C#N)n1 ZINC000601192051 350692877 /nfs/dbraw/zinc/69/28/77/350692877.db2.gz PXCKIMDUBJIVIS-LLVKDONJSA-N 0 3 278.787 2.527 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cccc3c2CCOC3)C1 ZINC000601304010 350719930 /nfs/dbraw/zinc/71/99/30/350719930.db2.gz KDVSEEPQEGBLDB-WFASDCNBSA-N 0 3 256.349 2.541 20 30 CFEDHN CNCc1ccccc1NC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601566555 350740893 /nfs/dbraw/zinc/74/08/93/350740893.db2.gz OLKXLWBOAGOYIX-IUODEOHRSA-N 0 3 286.379 2.562 20 30 CFEDHN Cc1scc(CNC[C@H](O)CC2(C#N)CC2)c1C ZINC000601968989 350821058 /nfs/dbraw/zinc/82/10/58/350821058.db2.gz QGVOYAXQMGUSHV-CYBMUJFWSA-N 0 3 264.394 2.509 20 30 CFEDHN CC(C)[C@@](C)(Cc1ccccc1)NC(=O)C(C)C#N ZINC000601836462 350790573 /nfs/dbraw/zinc/79/05/73/350790573.db2.gz NSNCQSIFYVRSFE-CZUORRHYSA-N 0 3 258.365 2.920 20 30 CFEDHN C=CCCC(C)(C)CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000601934268 350806512 /nfs/dbraw/zinc/80/65/12/350806512.db2.gz LGFFELOIKKDBPN-OAHLLOKOSA-N 0 3 285.391 2.667 20 30 CFEDHN Cc1ccc(CCNCc2cccc(F)c2C#N)cn1 ZINC000602009558 350829531 /nfs/dbraw/zinc/82/95/31/350829531.db2.gz XUDRTYROGGOKGH-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN CO[C@@H]1CCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602014611 350831444 /nfs/dbraw/zinc/83/14/44/350831444.db2.gz FSFZYMIBROLDIX-IUODEOHRSA-N 0 3 262.328 2.602 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H](C1CC1)C1CCOCC1 ZINC000602016848 350832186 /nfs/dbraw/zinc/83/21/86/350832186.db2.gz AZGUYDOSIFFDAT-QGZVFWFLSA-N 0 3 288.366 2.992 20 30 CFEDHN COC1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602020226 350834233 /nfs/dbraw/zinc/83/42/33/350834233.db2.gz MIPSIBUNZHSEKI-UHFFFAOYSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H](CNCc1cccc(F)c1C#N)c1ccccn1 ZINC000602028005 350834979 /nfs/dbraw/zinc/83/49/79/350834979.db2.gz LJWULJPBTBRZNU-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H]1CCCN2CCCC[C@H]12 ZINC000602028464 350835613 /nfs/dbraw/zinc/83/56/13/350835613.db2.gz MVITXGMAYDCGIE-DLBZAZTESA-N 0 3 287.382 2.804 20 30 CFEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC000602100773 350840801 /nfs/dbraw/zinc/84/08/01/350840801.db2.gz DBWKAAJYNPPMPE-CJNGLKHVSA-N 0 3 279.428 2.553 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NCc1cccc(F)c1C#N ZINC000601998571 350826752 /nfs/dbraw/zinc/82/67/52/350826752.db2.gz HBYWMUPOEVAVMI-AWEZNQCLSA-N 0 3 277.387 2.763 20 30 CFEDHN N#Cc1cccc(CN(C[C@H]2CCCO2)C2CCCC2)n1 ZINC000602478212 350898201 /nfs/dbraw/zinc/89/82/01/350898201.db2.gz WMHGTAJWKWYKGH-QGZVFWFLSA-N 0 3 285.391 2.877 20 30 CFEDHN CCN(CCNCc1cccc(C#N)n1)c1ccccc1C ZINC000602512533 350910911 /nfs/dbraw/zinc/91/09/11/350910911.db2.gz BXXFWAWUVDYPQE-UHFFFAOYSA-N 0 3 294.402 2.878 20 30 CFEDHN C[C@H](COc1cccc(F)c1)NCc1cccc(C#N)n1 ZINC000602517465 350912340 /nfs/dbraw/zinc/91/23/40/350912340.db2.gz CGCUOAXNGWNPCB-GFCCVEGCSA-N 0 3 285.322 2.649 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(O)c1 ZINC000602524911 350914298 /nfs/dbraw/zinc/91/42/98/350914298.db2.gz ARMRBJJCLQFSTQ-CYBMUJFWSA-N 0 3 274.364 2.581 20 30 CFEDHN CCCCCN(CCCOC)Cc1cccc(C#N)n1 ZINC000602598493 350940411 /nfs/dbraw/zinc/94/04/11/350940411.db2.gz VQFSZBOATMJCGZ-UHFFFAOYSA-N 0 3 275.396 2.982 20 30 CFEDHN COc1nc(C)cc(C)c1CNC[C@@H](C)CCC#N ZINC000602533601 350916708 /nfs/dbraw/zinc/91/67/08/350916708.db2.gz OWWOQEFYQOHKCW-NSHDSACASA-N 0 3 261.369 2.737 20 30 CFEDHN Cc1cccc(O[C@H](C)CNCc2cccc(C#N)n2)c1 ZINC000602548144 350919940 /nfs/dbraw/zinc/91/99/40/350919940.db2.gz QFJGOFYHQNQCHZ-CQSZACIVSA-N 0 3 281.359 2.819 20 30 CFEDHN CC(C)(C)[C@H]1OCCC[C@@H]1CNCc1cccc(C#N)n1 ZINC000602551106 350920966 /nfs/dbraw/zinc/92/09/66/350920966.db2.gz MHQKTQWMUBJLBS-CJNGLKHVSA-N 0 3 287.407 2.884 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1F ZINC000602567862 350927857 /nfs/dbraw/zinc/92/78/57/350927857.db2.gz KMHPDTSLHVPFQX-ZDUSSCGKSA-N 0 3 293.342 2.574 20 30 CFEDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1cccc(C#N)n1 ZINC000602580774 350932990 /nfs/dbraw/zinc/93/29/90/350932990.db2.gz GHNKRLYZPOOYRK-YVEFUNNKSA-N 0 3 299.349 2.958 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(Cc2cccs2)CC1 ZINC000602433905 350879931 /nfs/dbraw/zinc/87/99/31/350879931.db2.gz UAMBBAJHXUZYIZ-CQSZACIVSA-N 0 3 277.437 2.806 20 30 CFEDHN Cc1cccc(C)c1NC(=O)CNC[C@H](C)CCC#N ZINC000602590987 350938220 /nfs/dbraw/zinc/93/82/20/350938220.db2.gz FEXGVMKZBVKPGG-GFCCVEGCSA-N 0 3 273.380 2.771 20 30 CFEDHN CO[C@](C)(CN(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000602440000 350884068 /nfs/dbraw/zinc/88/40/68/350884068.db2.gz SJFOCRJITZPWPL-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN CCC[C@@H](CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444074 350886399 /nfs/dbraw/zinc/88/63/99/350886399.db2.gz KIHIERJOOXROSU-KRWDZBQOSA-N 0 3 290.407 2.822 20 30 CFEDHN COc1ccccc1[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602471917 350894617 /nfs/dbraw/zinc/89/46/17/350894617.db2.gz MSUDQYOFHIVVBL-CQSZACIVSA-N 0 3 293.370 2.951 20 30 CFEDHN CO[C@@](C)(CN1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000602651553 350961534 /nfs/dbraw/zinc/96/15/34/350961534.db2.gz JJEUFEUAMSTCOK-KRWDZBQOSA-N 0 3 299.418 2.754 20 30 CFEDHN C[C@H](CCC#N)CN1CCOc2cc(O)ccc2C1 ZINC000602654330 350962668 /nfs/dbraw/zinc/96/26/68/350962668.db2.gz LOCKCYURJZXBEK-GFCCVEGCSA-N 0 3 260.337 2.526 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](C)c1c(F)cncc1F ZINC000602657570 350963697 /nfs/dbraw/zinc/96/36/97/350963697.db2.gz ZKTRYKZHWJTVMT-NXEZZACHSA-N 0 3 253.296 2.950 20 30 CFEDHN CC(=O)NCCN(Cc1ccsc1)C[C@H](C)CCC#N ZINC000602656590 350963816 /nfs/dbraw/zinc/96/38/16/350963816.db2.gz BXFRMKYLRFPRLE-CYBMUJFWSA-N 0 3 293.436 2.626 20 30 CFEDHN CCCN(CCc1ccccn1)Cc1cccc(C#N)n1 ZINC000602657952 350963962 /nfs/dbraw/zinc/96/39/62/350963962.db2.gz VCMDYBLCGCLDHQ-UHFFFAOYSA-N 0 3 280.375 2.803 20 30 CFEDHN Cc1cc(CNC2CCC(C#N)CC2)nc(N2CCCC2)n1 ZINC000602673292 350971642 /nfs/dbraw/zinc/97/16/42/350971642.db2.gz QVMYKOVKAXHTES-UHFFFAOYSA-N 0 3 299.422 2.557 20 30 CFEDHN C=C(C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602674089 350971830 /nfs/dbraw/zinc/97/18/30/350971830.db2.gz DYKQOYTVNLWBBI-UHFFFAOYSA-N 0 3 261.281 2.792 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc(=O)[nH]c1 ZINC000602692412 350981278 /nfs/dbraw/zinc/98/12/78/350981278.db2.gz NGNJHPFRRRDCKQ-LBPRGKRZSA-N 0 3 267.332 2.852 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(CC#N)cc1 ZINC000602701721 350986685 /nfs/dbraw/zinc/98/66/85/350986685.db2.gz KUKHHBXLHOMELX-OAHLLOKOSA-N 0 3 297.402 2.941 20 30 CFEDHN COc1cc(C[C@@H](C)NCC2(C#N)CCCC2)ccn1 ZINC000602700668 350986867 /nfs/dbraw/zinc/98/68/67/350986867.db2.gz VKVDVDOJQOQOTO-CYBMUJFWSA-N 0 3 273.380 2.695 20 30 CFEDHN N#CC1(CNCCC2CCOCC2)CCCCC1 ZINC000602719798 350998611 /nfs/dbraw/zinc/99/86/11/350998611.db2.gz UIGXUDYBQRTVQJ-UHFFFAOYSA-N 0 3 250.386 2.867 20 30 CFEDHN CCOC(=O)C(CC)(CC)CNCc1ccc(C#N)o1 ZINC000602732671 351004795 /nfs/dbraw/zinc/00/47/95/351004795.db2.gz JBSDTNLZSWJGDB-UHFFFAOYSA-N 0 3 278.352 2.610 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](c3ccc(O)cc3)C2)n1 ZINC000602731721 351004907 /nfs/dbraw/zinc/00/49/07/351004907.db2.gz XMSDWFIMUQQWAL-CQSZACIVSA-N 0 3 279.343 2.648 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCC2)CC1 ZINC000602615346 350947160 /nfs/dbraw/zinc/94/71/60/350947160.db2.gz UNLRWTKYMSUEFL-CVEARBPZSA-N 0 3 291.439 2.826 20 30 CFEDHN COC1(CNCc2cccc(C#N)n2)CCC(C)CC1 ZINC000602638186 350956890 /nfs/dbraw/zinc/95/68/90/350956890.db2.gz MOZMWCIOROSITR-UHFFFAOYSA-N 0 3 273.380 2.638 20 30 CFEDHN Cc1cccc(OCCN(C)CC2(CC#N)CC2)c1 ZINC000602766686 351017939 /nfs/dbraw/zinc/01/79/39/351017939.db2.gz PBTMMJIIBRLLLY-UHFFFAOYSA-N 0 3 258.365 3.000 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602780136 351022260 /nfs/dbraw/zinc/02/22/60/351022260.db2.gz PCHVVCWSPPAPJM-QWHCGFSZSA-N 0 3 250.386 2.816 20 30 CFEDHN CN(CC1(CC#N)CC1)[C@H](CCO)c1ccccc1 ZINC000602778991 351022526 /nfs/dbraw/zinc/02/25/26/351022526.db2.gz DSBSQDIHFQKLQY-OAHLLOKOSA-N 0 3 258.365 2.736 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602797209 351029290 /nfs/dbraw/zinc/02/92/90/351029290.db2.gz IVUWSCSIRSHFTE-CYBMUJFWSA-N 0 3 278.396 2.591 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)N1CC#N ZINC000602852525 351045395 /nfs/dbraw/zinc/04/53/95/351045395.db2.gz BYLRLZWFRWRSIK-GASCZTMLSA-N 0 3 276.428 2.625 20 30 CFEDHN CC(C)CSCCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855119 351047521 /nfs/dbraw/zinc/04/75/21/351047521.db2.gz SDWBVHNOLIDPQO-HUUCEWRRSA-N 0 3 283.485 2.684 20 30 CFEDHN CCN1[C@H](C)CN(Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000602873704 351055322 /nfs/dbraw/zinc/05/53/22/351055322.db2.gz JHFNAZJGMNKFIX-GASCZTMLSA-N 0 3 271.408 2.667 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602883802 351057510 /nfs/dbraw/zinc/05/75/10/351057510.db2.gz MPAPRPKIQBLZIW-DGCLKSJQSA-N 0 3 278.356 2.553 20 30 CFEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@H]2CCCC[C@@H]12 ZINC000602887660 351058298 /nfs/dbraw/zinc/05/82/98/351058298.db2.gz JLZHLBQQRVCCME-ZNMIVQPWSA-N 0 3 290.407 2.734 20 30 CFEDHN N#Cc1ccccc1NC1CCN([C@@H]2CCCOC2)CC1 ZINC000602893766 351059112 /nfs/dbraw/zinc/05/91/12/351059112.db2.gz GKBPEHRUWUTWPR-MRXNPFEDSA-N 0 3 285.391 2.614 20 30 CFEDHN Cc1csc(CC2(O)CCN(CCCCC#N)CC2)n1 ZINC000602892672 351059276 /nfs/dbraw/zinc/05/92/76/351059276.db2.gz MLVXYOMEKPEKCD-UHFFFAOYSA-N 0 3 293.436 2.515 20 30 CFEDHN C[C@H]1CC[C@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000602906402 351062205 /nfs/dbraw/zinc/06/22/05/351062205.db2.gz HLYGNNHHKWAHJQ-XJKSGUPXSA-N 0 3 285.391 2.700 20 30 CFEDHN N#CCC1(CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000602916045 351064070 /nfs/dbraw/zinc/06/40/70/351064070.db2.gz PPBYIBIXAQSLMU-UHFFFAOYSA-N 0 3 295.386 2.847 20 30 CFEDHN N#Cc1ccccc1-c1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603086513 351102735 /nfs/dbraw/zinc/10/27/35/351102735.db2.gz KUGLWNNXZHDVGV-IEBWSBKVSA-N 0 3 290.366 2.792 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000603227686 351121667 /nfs/dbraw/zinc/12/16/67/351121667.db2.gz OCBHTEHGWIHYBI-ABAIWWIYSA-N 0 3 283.379 2.805 20 30 CFEDHN Cc1cc(Cn2cc([C@H](N)C(C)(C)C)nn2)ccc1C#N ZINC000603233861 351122990 /nfs/dbraw/zinc/12/29/90/351122990.db2.gz DNAGELPPRDEYMT-HNNXBMFYSA-N 0 3 283.379 2.552 20 30 CFEDHN Cc1nccn1CCCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602979530 351081050 /nfs/dbraw/zinc/08/10/50/351081050.db2.gz FJWQAPJHTHAFFV-CABCVRRESA-N 0 3 260.385 2.596 20 30 CFEDHN CN(CCCC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979923 351081404 /nfs/dbraw/zinc/08/14/04/351081404.db2.gz JEKJRLINGBORCC-HUUCEWRRSA-N 0 3 250.386 2.817 20 30 CFEDHN CC[C@@]1(O)CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000602983857 351084335 /nfs/dbraw/zinc/08/43/35/351084335.db2.gz VSTCCPIIAVIXJY-XJKSGUPXSA-N 0 3 258.365 2.856 20 30 CFEDHN Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1C#N ZINC000602997876 351089072 /nfs/dbraw/zinc/08/90/72/351089072.db2.gz SLEPMVDXTYBQDR-KSZLIROESA-N 0 3 284.403 2.992 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](C2CCC2)CC1 ZINC000603000008 351089604 /nfs/dbraw/zinc/08/96/04/351089604.db2.gz RAVQICXLPZSYCP-ZBFHGGJFSA-N 0 3 291.439 2.649 20 30 CFEDHN N#Cc1cccc(OCCCN[C@@H]2CCCn3nccc32)c1 ZINC000603028767 351091712 /nfs/dbraw/zinc/09/17/12/351091712.db2.gz SQKUKHMMKFFVNO-MRXNPFEDSA-N 0 3 296.374 2.648 20 30 CFEDHN CC[C@@](C)(N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603249512 351125307 /nfs/dbraw/zinc/12/53/07/351125307.db2.gz HOZFFABWWGJATQ-QGZVFWFLSA-N 0 3 297.406 2.711 20 30 CFEDHN C=CCCCN(C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000605877244 351257381 /nfs/dbraw/zinc/25/73/81/351257381.db2.gz FGHMNUFLUWEWRP-GASCZTMLSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C3CCCC2CCC3)CC1 ZINC000608438190 351434897 /nfs/dbraw/zinc/43/48/97/351434897.db2.gz KAIIXSNPIXLPPY-UHFFFAOYSA-N 0 3 291.439 2.753 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCCCC2)CC1 ZINC000609486595 351503029 /nfs/dbraw/zinc/50/30/29/351503029.db2.gz NKOAMGPBJHFQSF-MRXNPFEDSA-N 0 3 263.429 2.732 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609157374 351489553 /nfs/dbraw/zinc/48/95/53/351489553.db2.gz GTBVBZRQBSDCKJ-INIZCTEOSA-N 0 3 266.348 2.592 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000609157390 351489602 /nfs/dbraw/zinc/48/96/02/351489602.db2.gz IBSSGYCFZORIOE-INIZCTEOSA-N 0 3 266.348 2.592 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](CCO)C1 ZINC000609826673 351521794 /nfs/dbraw/zinc/52/17/94/351521794.db2.gz PJAWFFOSZQACPN-UKRRQHHQSA-N 0 3 258.365 2.714 20 30 CFEDHN COC[C@@H](CC(C)C)NCc1ccc(C#N)cc1F ZINC000610812514 351610798 /nfs/dbraw/zinc/61/07/98/351610798.db2.gz IOSJRQXHXGROBM-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H](c3ccco3)C2)ccn1 ZINC000610992790 351629802 /nfs/dbraw/zinc/62/98/02/351629802.db2.gz JJQZGBLAILLAFR-CYBMUJFWSA-N 0 3 253.305 2.536 20 30 CFEDHN C[C@H](CN1CCCC1=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391095 351680484 /nfs/dbraw/zinc/68/04/84/351680484.db2.gz SFHMMGCVMJXRQF-CXAGYDPISA-N 0 3 297.402 2.536 20 30 CFEDHN CS[C@H](CO)[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393461 351681196 /nfs/dbraw/zinc/68/11/96/351681196.db2.gz UMMAWGHTUQZKEM-KNXALSJPSA-N 0 3 290.432 2.638 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](CC1CC1)c1ccccc1 ZINC000611395799 351682303 /nfs/dbraw/zinc/68/23/03/351682303.db2.gz UPVOAWMDDOENIA-QGZVFWFLSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611431831 351689238 /nfs/dbraw/zinc/68/92/38/351689238.db2.gz CSVWPDHASSNANK-CVEARBPZSA-N 0 3 263.429 2.897 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cccc(F)c1F ZINC000611445813 351691866 /nfs/dbraw/zinc/69/18/66/351691866.db2.gz KPOOZPXLKHWUPU-LLVKDONJSA-N 0 3 279.334 2.603 20 30 CFEDHN COCC1(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611475913 351694702 /nfs/dbraw/zinc/69/47/02/351694702.db2.gz RAKAANQUVYGCOT-OAHLLOKOSA-N 0 3 256.349 2.704 20 30 CFEDHN C=CCCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551793 351707579 /nfs/dbraw/zinc/70/75/79/351707579.db2.gz UKZQGUAZOZSAOU-KRWDZBQOSA-N 0 3 287.382 2.974 20 30 CFEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CCC2CC2)CC1 ZINC000611552288 351707793 /nfs/dbraw/zinc/70/77/93/351707793.db2.gz UYQSJAABMRDCMX-QGZVFWFLSA-N 0 3 287.382 2.808 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1sc(CCOC)nc1C ZINC000271445280 191140504 /nfs/dbraw/zinc/14/05/04/191140504.db2.gz FQKLSWFWUGZRNS-LBPRGKRZSA-N 0 3 298.452 2.884 20 30 CFEDHN C[C@H](CN(C)Cc1ccnc(C#N)c1)c1nccs1 ZINC000612187862 351786493 /nfs/dbraw/zinc/78/64/93/351786493.db2.gz JJXFQIPMOQUSFH-LLVKDONJSA-N 0 3 272.377 2.645 20 30 CFEDHN CO[C@@H]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000611984106 351758493 /nfs/dbraw/zinc/75/84/93/351758493.db2.gz IROGEDFXHAPKMR-GFCCVEGCSA-N 0 3 250.367 2.621 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CCN(CC3CC3)C2)c1C#N ZINC000612077833 351770317 /nfs/dbraw/zinc/77/03/17/351770317.db2.gz PRRDGTFCFBTTMO-GFCCVEGCSA-N 0 3 290.798 2.811 20 30 CFEDHN CN(CCC1CCOCC1)Cc1ccc(F)c(C#N)c1 ZINC000122214205 187021226 /nfs/dbraw/zinc/02/12/26/187021226.db2.gz SPOAWIQTDOUUPO-UHFFFAOYSA-N 0 3 276.355 2.946 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CN1C1CC1 ZINC000122267695 187023404 /nfs/dbraw/zinc/02/34/04/187023404.db2.gz CJPAEZXHQQCDJX-ZYHUDNBSSA-N 0 3 286.335 2.504 20 30 CFEDHN C[C@H]1C[C@H](Nc2cccc(F)c2C#N)CN1C1CC1 ZINC000122266622 187023686 /nfs/dbraw/zinc/02/36/86/187023686.db2.gz IQYQUEPANWOVED-QWRGUYRKSA-N 0 3 259.328 2.734 20 30 CFEDHN CC(C)[C@@H](C(=O)N1CCC[C@@](C)(C#N)C1)N1CCCCC1 ZINC000612366698 351808800 /nfs/dbraw/zinc/80/88/00/351808800.db2.gz UIXLCGMALRBYQS-RDJZCZTQSA-N 0 3 291.439 2.649 20 30 CFEDHN Cc1nc(NC[C@@H]2CCCCN2C2CC2)ccc1C#N ZINC000291916158 198103907 /nfs/dbraw/zinc/10/39/07/198103907.db2.gz LEXSRFNDZQRBMD-HNNXBMFYSA-N 0 3 270.380 2.691 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000123739477 187106405 /nfs/dbraw/zinc/10/64/05/187106405.db2.gz HEEGWWIECFSPTE-XJKSGUPXSA-N 0 3 258.365 2.684 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1C[C@@H](C)O ZINC000123833751 187111288 /nfs/dbraw/zinc/11/12/88/187111288.db2.gz CVRMRDSOGOHDML-CZUORRHYSA-N 0 3 288.391 2.692 20 30 CFEDHN CC(C)(C)c1ccc(C#N)c(N2CC[C@H](N3CCCC3)C2)n1 ZINC000613418516 351954654 /nfs/dbraw/zinc/95/46/54/351954654.db2.gz XVMUYUWCMZPNSC-HNNXBMFYSA-N 0 3 298.434 2.925 20 30 CFEDHN N#Cc1cc(Cl)ccc1CNC1(CO)CCCCC1 ZINC000614176359 352057004 /nfs/dbraw/zinc/05/70/04/352057004.db2.gz XEKDWJJYIIRKQR-UHFFFAOYSA-N 0 3 278.783 2.996 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(C)C[C@@H]1CC ZINC000614329802 352080482 /nfs/dbraw/zinc/08/04/82/352080482.db2.gz IWJAFRFUXIHGIS-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)cc1C)CC2 ZINC000614400909 352089341 /nfs/dbraw/zinc/08/93/41/352089341.db2.gz ONUDSIARKSGKMV-INIZCTEOSA-N 0 3 298.386 2.642 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC000617043768 352479186 /nfs/dbraw/zinc/47/91/86/352479186.db2.gz DSJBBGJAMQJVHF-RRFJBIMHSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000617611296 352602645 /nfs/dbraw/zinc/60/26/45/352602645.db2.gz SZGXLPODAFLHGE-UHFFFAOYSA-N 0 3 272.392 2.978 20 30 CFEDHN Cc1cc(CN[C@H](C(=O)N2CCCC2)C(C)C)ccc1C#N ZINC000618193489 352735643 /nfs/dbraw/zinc/73/56/43/352735643.db2.gz LVAKLLHJMLTWSR-KRWDZBQOSA-N 0 3 299.418 2.603 20 30 CFEDHN CC[C@@H](NCCOC[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000618568453 352812126 /nfs/dbraw/zinc/81/21/26/352812126.db2.gz UOSSHUYVOJQXRA-DOTOQJQBSA-N 0 3 288.391 2.652 20 30 CFEDHN CSc1cc(CN[C@H]2CCC[C@H](C#N)C2)ccn1 ZINC000618571453 352813761 /nfs/dbraw/zinc/81/37/61/352813761.db2.gz RLBHPIVFVLECJQ-AAEUAGOBSA-N 0 3 261.394 2.975 20 30 CFEDHN CC[C@H](NCC(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000618571654 352813898 /nfs/dbraw/zinc/81/38/98/352813898.db2.gz FTWGRTZSDLZNMI-INIZCTEOSA-N 0 3 285.391 2.658 20 30 CFEDHN Cc1cc(CN2CC[C@H](C(F)F)C2)ccc1C#N ZINC000618752763 352876766 /nfs/dbraw/zinc/87/67/66/352876766.db2.gz YOSCSSCMHPSUMC-ZDUSSCGKSA-N 0 3 250.292 2.954 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)CC12CCCCC2 ZINC000618887716 352905669 /nfs/dbraw/zinc/90/56/69/352905669.db2.gz FMBDWCNYWPCZAM-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN Cc1nn(C)cc1[C@H](C)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618803598 352883246 /nfs/dbraw/zinc/88/32/46/352883246.db2.gz YHAJRYSECXXTOC-APPDUMDISA-N 0 3 280.375 2.938 20 30 CFEDHN CCC[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000619268555 352989120 /nfs/dbraw/zinc/98/91/20/352989120.db2.gz WTDUZAUCLKPIQS-DOMZBBRYSA-N 0 3 269.348 2.545 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H](Cn2cccn2)c2ccccc2)C1 ZINC000619672794 353047700 /nfs/dbraw/zinc/04/77/00/353047700.db2.gz AMPHTUNHLVLJSC-OIISXLGYSA-N 0 3 280.375 2.906 20 30 CFEDHN Cn1ccnc1C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000619672832 353047816 /nfs/dbraw/zinc/04/78/16/353047816.db2.gz KNKRGGXMRFPORY-UAGQMJEPSA-N 0 3 294.402 2.986 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@H](C)CC[C@H]1C ZINC000620309974 353149649 /nfs/dbraw/zinc/14/96/49/353149649.db2.gz UWVVMPAWXBJTNU-TUVASFSCSA-N 0 3 262.397 2.569 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cc(F)ccc1OC ZINC000271663478 191265764 /nfs/dbraw/zinc/26/57/64/191265764.db2.gz LSJQDSSBODFDHI-DGCLKSJQSA-N 0 3 267.344 2.812 20 30 CFEDHN C=C(Cl)CNC1CCC(c2nc(C)no2)CC1 ZINC000292369564 198261567 /nfs/dbraw/zinc/26/15/67/198261567.db2.gz ZDRIREOJUPJFCV-UHFFFAOYSA-N 0 3 255.749 2.746 20 30 CFEDHN CCOC[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC000154266682 188132450 /nfs/dbraw/zinc/13/24/50/188132450.db2.gz MTWWDVUTFKNSRJ-OAHLLOKOSA-N 0 3 261.340 2.536 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccccc1 ZINC000154263080 188132699 /nfs/dbraw/zinc/13/26/99/188132699.db2.gz QODHROHPWCRVBN-AWEZNQCLSA-N 0 3 260.381 2.762 20 30 CFEDHN CS[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H]1N(C)C ZINC000271674360 191271473 /nfs/dbraw/zinc/27/14/73/191271473.db2.gz XVGCBXLCEOJDJJ-UONOGXRCSA-N 0 3 295.839 2.693 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2O[C@@H](C)C1 ZINC000292441085 198289696 /nfs/dbraw/zinc/28/96/96/198289696.db2.gz OLGHIQXEVWZIKL-ZFWWWQNUSA-N 0 3 261.365 2.597 20 30 CFEDHN CC#CCCN(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000155394293 188203718 /nfs/dbraw/zinc/20/37/18/188203718.db2.gz AFMKQQCGQGEXGK-UHFFFAOYSA-N 0 3 272.392 2.624 20 30 CFEDHN CC(C)[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000292481358 198303674 /nfs/dbraw/zinc/30/36/74/198303674.db2.gz ALOVTKGOWLTRTC-INIZCTEOSA-N 0 3 258.365 2.540 20 30 CFEDHN CC#CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000156498306 188265362 /nfs/dbraw/zinc/26/53/62/188265362.db2.gz KEKBWUSGQRYWKS-UHFFFAOYSA-N 0 3 258.321 2.973 20 30 CFEDHN C=CC[C@@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292623356 198354452 /nfs/dbraw/zinc/35/44/52/198354452.db2.gz UUFRDXBHDIOHFH-MJGOQNOKSA-N 0 3 298.430 2.901 20 30 CFEDHN C#CC[C@H](NC[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000271696428 191281044 /nfs/dbraw/zinc/28/10/44/191281044.db2.gz LOJZAAUVNBFZHM-MJGOQNOKSA-N 0 3 295.382 2.781 20 30 CFEDHN CC(C)[C@H](NCc1ccccc1C#N)C1(CO)CCC1 ZINC000292826303 198423682 /nfs/dbraw/zinc/42/36/82/198423682.db2.gz QPMHIEOJQACFDV-INIZCTEOSA-N 0 3 272.392 2.835 20 30 CFEDHN C=CCOc1c(Cl)cc(CN[C@H]2C[C@H](O)C2)cc1OC ZINC000623575401 353676892 /nfs/dbraw/zinc/67/68/92/353676892.db2.gz YVFWAXGWCHWLGP-HAQNSBGRSA-N 0 3 297.782 2.526 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000623622948 353688661 /nfs/dbraw/zinc/68/86/61/353688661.db2.gz OMYYDKSEDFFLBM-HIFRSBDPSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)C1 ZINC000623718000 353710922 /nfs/dbraw/zinc/71/09/22/353710922.db2.gz SOEHJHZWRYZRRF-HRCADAONSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000623721283 353711578 /nfs/dbraw/zinc/71/15/78/353711578.db2.gz SEYKAXLWRCEMJH-CVEARBPZSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000623735128 353714305 /nfs/dbraw/zinc/71/43/05/353714305.db2.gz LRLAOWVNJGQKOI-CHWSQXEVSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC)c1cc(C)ccc1C ZINC000623945918 353767048 /nfs/dbraw/zinc/76/70/48/353767048.db2.gz HSQMHKYZXNLHIA-OAHLLOKOSA-N 0 3 260.381 2.646 20 30 CFEDHN C=CCC[C@@H](C)NCc1c(C(F)(F)F)cnn1C ZINC000624053819 353794154 /nfs/dbraw/zinc/79/41/54/353794154.db2.gz PMNQNOHRJGGETO-SECBINFHSA-N 0 3 261.291 2.883 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000624377256 353872811 /nfs/dbraw/zinc/87/28/11/353872811.db2.gz UNLSGXQPCTYAFA-CVEARBPZSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624787076 353945847 /nfs/dbraw/zinc/94/58/47/353945847.db2.gz OXBJLQKPZNXKND-GOEBONIOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000625701651 354088936 /nfs/dbraw/zinc/08/89/36/354088936.db2.gz RAGXKACGIYGNCE-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000625701741 354089350 /nfs/dbraw/zinc/08/93/50/354089350.db2.gz CLVPNMRWLNWZPY-MRXNPFEDSA-N 0 3 298.430 2.732 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000625704066 354090994 /nfs/dbraw/zinc/09/09/94/354090994.db2.gz RRIBYGVGIGIWDJ-AWEZNQCLSA-N 0 3 290.382 2.682 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 ZINC000625705613 354092567 /nfs/dbraw/zinc/09/25/67/354092567.db2.gz WDLBKTRIMQOPCJ-CYBMUJFWSA-N 0 3 259.349 2.856 20 30 CFEDHN Cc1c(C#N)c(N[C@@H](C)CN(C)C)nc2ccccc12 ZINC000295682064 199618205 /nfs/dbraw/zinc/61/82/05/199618205.db2.gz MINQLRIUGWNGPC-NSHDSACASA-N 0 3 268.364 2.777 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000625898645 354135724 /nfs/dbraw/zinc/13/57/24/354135724.db2.gz XPYHQJZEUJNOOQ-CYBMUJFWSA-N 0 3 273.380 2.884 20 30 CFEDHN C=CCC1(NCc2nnc3n2CCCC3)CCCCC1 ZINC000625934546 354148774 /nfs/dbraw/zinc/14/87/74/354148774.db2.gz RGGUBDQWERDBQD-UHFFFAOYSA-N 0 3 274.412 2.983 20 30 CFEDHN C=CCCCCCN[C@H]1CCO[C@H]1c1nc(C)no1 ZINC000626144227 354208611 /nfs/dbraw/zinc/20/86/11/354208611.db2.gz XUTHQWAXUXEMLB-QWHCGFSZSA-N 0 3 265.357 2.544 20 30 CFEDHN C=CCC[C@@H](NCC(=O)N(C)CC)c1ccccc1 ZINC000271753634 191306424 /nfs/dbraw/zinc/30/64/24/191306424.db2.gz TZDNXFFSACNPAB-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(N(C)CCOC)nc2)C1 ZINC000628406746 354579847 /nfs/dbraw/zinc/57/98/47/354579847.db2.gz PXCNBOAUOHSMII-HNNXBMFYSA-N 0 3 289.423 2.562 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(N(C)CCOC)nc2)C1 ZINC000628406747 354580241 /nfs/dbraw/zinc/58/02/41/354580241.db2.gz PXCNBOAUOHSMII-OAHLLOKOSA-N 0 3 289.423 2.562 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2COc3ccc(F)cc3C2)C1 ZINC000344017005 283056574 /nfs/dbraw/zinc/05/65/74/283056574.db2.gz DZTDVQFKQSUVDU-KCPJHIHWSA-N 0 3 274.339 2.801 20 30 CFEDHN C=CCOCCN[C@@H](c1ccc(F)cn1)C(C)C ZINC000679575920 540088468 /nfs/dbraw/zinc/08/84/68/540088468.db2.gz DUJUBOYSDYJLBW-CQSZACIVSA-N 0 3 252.333 2.710 20 30 CFEDHN C=CCOCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000679576794 540088941 /nfs/dbraw/zinc/08/89/41/540088941.db2.gz UMTKMNNPQMPGTN-SECBINFHSA-N 0 3 259.271 2.957 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C1 ZINC000630741255 355165956 /nfs/dbraw/zinc/16/59/56/355165956.db2.gz RZKSZNQVCMSNIN-TZMCWYRMSA-N 0 3 264.413 2.579 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000271827294 191352190 /nfs/dbraw/zinc/35/21/90/191352190.db2.gz DGMVSNHPLXJMRJ-SWLSCSKDSA-N 0 3 270.332 2.844 20 30 CFEDHN C=CCOCCN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000293505625 198661381 /nfs/dbraw/zinc/66/13/81/198661381.db2.gz HRJSBWUEHHTURR-MRXNPFEDSA-N 0 3 275.392 2.683 20 30 CFEDHN C=CCCC(C)(C)CNCc1cn(C(C)C)nn1 ZINC000631217899 355356297 /nfs/dbraw/zinc/35/62/97/355356297.db2.gz HMQIAWVVHDLJLA-UHFFFAOYSA-N 0 3 250.390 2.941 20 30 CFEDHN C=C1CC(C)(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000631473473 355451238 /nfs/dbraw/zinc/45/12/38/355451238.db2.gz MGVUWLGDWCYHJB-UHFFFAOYSA-N 0 3 298.430 2.558 20 30 CFEDHN C=C1CC(C)(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)C1 ZINC000632203453 355664180 /nfs/dbraw/zinc/66/41/80/355664180.db2.gz XSAKKQKWQLZLGH-ZDUSSCGKSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000633085806 355800478 /nfs/dbraw/zinc/80/04/78/355800478.db2.gz UNVRTZYBDAYMSQ-CYBMUJFWSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000633093819 355802149 /nfs/dbraw/zinc/80/21/49/355802149.db2.gz UKTDOJWVNQOBAU-KBPBESRZSA-N 0 3 281.444 2.761 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)C1 ZINC000633182582 355819861 /nfs/dbraw/zinc/81/98/61/355819861.db2.gz RDDMVVOLDYABPJ-AWEZNQCLSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000633636642 355954573 /nfs/dbraw/zinc/95/45/73/355954573.db2.gz UWIAKXYIPQMSLN-CQSZACIVSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000633636641 355954969 /nfs/dbraw/zinc/95/49/69/355954969.db2.gz UWIAKXYIPQMSLN-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)s1 ZINC000271124976 283140217 /nfs/dbraw/zinc/14/02/17/283140217.db2.gz MGFKXWKDQJHOHA-LLVKDONJSA-N 0 3 272.377 2.722 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293537309 283138815 /nfs/dbraw/zinc/13/88/15/283138815.db2.gz CJPJITVOWFSBRX-KRWDZBQOSA-N 0 3 282.387 2.949 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CCC)Cc1ccccc1 ZINC000272895375 191963470 /nfs/dbraw/zinc/96/34/70/191963470.db2.gz UDOMHYBYDYSZBH-MRXNPFEDSA-N 0 3 295.448 2.588 20 30 CFEDHN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000363410092 283140268 /nfs/dbraw/zinc/14/02/68/283140268.db2.gz CCDRUSKSXQBOOS-HZPDHXFCSA-N 0 3 256.349 2.702 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CC23CCSCC3)o1 ZINC000421381091 283145862 /nfs/dbraw/zinc/14/58/62/283145862.db2.gz MJDQOQQLWBCTDC-LLVKDONJSA-N 0 3 262.378 2.774 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)s1 ZINC000267151653 283148137 /nfs/dbraw/zinc/14/81/37/283148137.db2.gz CGOPOTDBCRPEBL-ZDUSSCGKSA-N 0 3 285.372 2.888 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cc1F ZINC000334672668 283148288 /nfs/dbraw/zinc/14/82/88/283148288.db2.gz WDMLBQLRAGCUGN-HNNXBMFYSA-N 0 3 297.333 2.965 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCOC2)c(C(F)(F)F)c1 ZINC000352819392 283147003 /nfs/dbraw/zinc/14/70/03/283147003.db2.gz BACDQCNFTXDLPM-GFCCVEGCSA-N 0 3 284.281 2.846 20 30 CFEDHN CN1CC=C(CNc2ccc(Cl)cc2C#N)CC1 ZINC000273572100 192208199 /nfs/dbraw/zinc/20/81/99/192208199.db2.gz AIWBKKSXTOWLDF-UHFFFAOYSA-N 0 3 261.756 2.885 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1F ZINC000328915051 202109674 /nfs/dbraw/zinc/10/96/74/202109674.db2.gz QPJJPNJDISVMDK-CZUORRHYSA-N 0 3 287.338 2.684 20 30 CFEDHN N#Cc1csc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000329114389 202194917 /nfs/dbraw/zinc/19/49/17/202194917.db2.gz SGQBXJNYPSIEGG-JSGCOSHPSA-N 0 3 289.404 2.951 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cscc1Br ZINC000336744437 540265550 /nfs/dbraw/zinc/26/55/50/540265550.db2.gz ZJYCCMJGFKTFIE-SECBINFHSA-N 0 3 290.226 2.785 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CCCN1CCOC)c1ccco1 ZINC000356061798 540303511 /nfs/dbraw/zinc/30/35/11/540303511.db2.gz CSBBEQPZGWGFKK-CVEARBPZSA-N 0 3 292.423 2.987 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2c(OC)cccc21 ZINC000669617892 540353381 /nfs/dbraw/zinc/35/33/81/540353381.db2.gz RJBAGPGXMQGIRQ-OAHLLOKOSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2c(OC)cccc21 ZINC000669617891 540353387 /nfs/dbraw/zinc/35/33/87/540353387.db2.gz RJBAGPGXMQGIRQ-HNNXBMFYSA-N 0 3 261.365 2.865 20 30 CFEDHN CC/C(C)=C/C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000294684597 199132820 /nfs/dbraw/zinc/13/28/20/199132820.db2.gz KBCXDVJEBLUGLU-RVDMUPIBSA-N 0 3 299.418 2.805 20 30 CFEDHN CC[C@](C)(COc1ncccc1Cl)NCC#CCOC ZINC000678311569 540402256 /nfs/dbraw/zinc/40/22/56/540402256.db2.gz HHHFZSOEEFHELN-OAHLLOKOSA-N 0 3 296.798 2.522 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(OCCO)c(OC)c1 ZINC000678755211 540476889 /nfs/dbraw/zinc/47/68/89/540476889.db2.gz OOBKVGORTAHGKI-KBPBESRZSA-N 0 3 291.391 2.519 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc(C)nc2)CC1 ZINC000679953894 542257104 /nfs/dbraw/zinc/25/71/04/542257104.db2.gz ZNCKWXKJUZIRCB-MRXNPFEDSA-N 0 3 260.381 2.506 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CCCN(CCCO)C1)c1ccco1 ZINC000297265902 200130387 /nfs/dbraw/zinc/13/03/87/200130387.db2.gz KJIUVAPFGRUASH-HZPDHXFCSA-N 0 3 292.423 2.723 20 30 CFEDHN C#CCSCC[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000298257925 200374519 /nfs/dbraw/zinc/37/45/19/200374519.db2.gz FHJMMGKWNLFHCP-UHFFFAOYSA-N 0 3 299.823 2.900 20 30 CFEDHN C[C@@]12CCN(CCOc3cccc(C#N)c3)C[C@@H]1C2(F)F ZINC000298281864 200381735 /nfs/dbraw/zinc/38/17/35/200381735.db2.gz ONPUBWJWPRDRKG-LSDHHAIUSA-N 0 3 292.329 2.914 20 30 CFEDHN C[C@H](O)c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176954319 189016808 /nfs/dbraw/zinc/01/68/08/189016808.db2.gz PXGLGFWIOUAFGZ-NSHDSACASA-N 0 3 272.373 2.963 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000176980638 189018728 /nfs/dbraw/zinc/01/87/28/189018728.db2.gz YPYOQHHQTYWCCT-JSGCOSHPSA-N 0 3 264.394 2.913 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000176980620 189018854 /nfs/dbraw/zinc/01/88/54/189018854.db2.gz YPYOQHHQTYWCCT-OCCSQVGLSA-N 0 3 264.394 2.913 20 30 CFEDHN COCCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000177048416 189024142 /nfs/dbraw/zinc/02/41/42/189024142.db2.gz KKVUROPSQVLOEH-UHFFFAOYSA-N 0 3 251.757 2.660 20 30 CFEDHN C=CCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177386752 189047176 /nfs/dbraw/zinc/04/71/76/189047176.db2.gz YLTMAAOVSIEADG-CYBMUJFWSA-N 0 3 286.297 2.572 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000177875003 189076076 /nfs/dbraw/zinc/07/60/76/189076076.db2.gz LTYVRWCVCHQPTG-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN CC[C@]1(NCC#Cc2ccccc2Cl)CCOC1 ZINC000683041760 540736633 /nfs/dbraw/zinc/73/66/33/540736633.db2.gz ADKVWXGGDRKDCL-HNNXBMFYSA-N 0 3 263.768 2.850 20 30 CFEDHN COc1ccc(CN2C[C@@H]3[C@H](C2)C3(C)C)cc1C#N ZINC000179223146 189178652 /nfs/dbraw/zinc/17/86/52/189178652.db2.gz IURVIIFHGOGDCD-OKILXGFUSA-N 0 3 256.349 2.655 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(OCC)cc2)C1=O ZINC000684890027 540887669 /nfs/dbraw/zinc/88/76/69/540887669.db2.gz NDYUAZYBEFHLPP-XJKSGUPXSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000179639123 189209340 /nfs/dbraw/zinc/20/93/40/189209340.db2.gz VMSFAVIUGRJPQA-CYBMUJFWSA-N 0 3 298.386 2.801 20 30 CFEDHN CSC[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000180021755 189232747 /nfs/dbraw/zinc/23/27/47/189232747.db2.gz DTCQEGRHTXQSMM-JTQLQIEISA-N 0 3 252.408 2.947 20 30 CFEDHN C=CCC[C@@H](NCC(=O)NCC1CC1)c1ccccc1 ZINC000180042853 189234192 /nfs/dbraw/zinc/23/41/92/189234192.db2.gz WNSYNJITXHTSSK-MRXNPFEDSA-N 0 3 272.392 2.810 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(CCC)C1 ZINC000661950905 541031047 /nfs/dbraw/zinc/03/10/47/541031047.db2.gz HNKGODSOLQNBDB-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN CN(C[C@H]1CCCN(C)C1)c1c(Cl)cccc1C#N ZINC000301412514 201000279 /nfs/dbraw/zinc/00/02/79/201000279.db2.gz YXJMNYYUKOGPNF-LBPRGKRZSA-N 0 3 277.799 2.990 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000301511958 201038975 /nfs/dbraw/zinc/03/89/75/201038975.db2.gz ITEYMGZBESFKRU-LLVKDONJSA-N 0 3 278.787 2.893 20 30 CFEDHN C[C@@H]1CCCN(CCNc2ccc(C#N)cc2F)C1 ZINC000301511268 201039990 /nfs/dbraw/zinc/03/99/90/201039990.db2.gz IQFVHRQBMDQQRJ-GFCCVEGCSA-N 0 3 261.344 2.841 20 30 CFEDHN CN(CCc1ccncc1)Cc1ccc(C#N)s1 ZINC000183758393 189367632 /nfs/dbraw/zinc/36/76/32/189367632.db2.gz UKMVWSARDOVOEP-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN Cc1csc([C@H](C)CNCc2ccc(C#N)o2)n1 ZINC000184116699 189376747 /nfs/dbraw/zinc/37/67/47/189376747.db2.gz QKZZZUAOJALKHY-SECBINFHSA-N 0 3 261.350 2.810 20 30 CFEDHN Cc1oc([N-]C(=O)C[NH2+][C@@H](C)C2CCCC2)c(C#N)c1C ZINC000184646182 189391569 /nfs/dbraw/zinc/39/15/69/189391569.db2.gz WJWBXLQDKSMPIF-NSHDSACASA-N 0 3 289.379 2.875 20 30 CFEDHN C[C@H](NCC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000184659327 189391952 /nfs/dbraw/zinc/39/19/52/189391952.db2.gz GGZWQCUYXFGDJA-LBPRGKRZSA-N 0 3 271.364 2.665 20 30 CFEDHN C[C@@H]1CCCN(CCNc2nc3c(cc2C#N)CCCC3)C1 ZINC000301881557 201247750 /nfs/dbraw/zinc/24/77/50/201247750.db2.gz KGDVYHMBYKSPCI-CQSZACIVSA-N 0 3 298.434 2.976 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(C#N)cc1F ZINC000427866760 239344513 /nfs/dbraw/zinc/34/45/13/239344513.db2.gz QQGRYDGBNFWBNI-CEFQPYBMSA-N 0 3 274.339 2.915 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1(C)CC1 ZINC000428190986 239399345 /nfs/dbraw/zinc/39/93/45/239399345.db2.gz IHQCSZXRCPNZEB-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN CCn1cccc(CN[C@@H](C)c2ccc(C#N)cc2)c1=O ZINC000432502926 240016407 /nfs/dbraw/zinc/01/64/07/240016407.db2.gz QFUIHLMDQSUAFZ-ZDUSSCGKSA-N 0 3 281.359 2.591 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2csc(Cl)n2)CC1 ZINC000275457804 193046598 /nfs/dbraw/zinc/04/65/98/193046598.db2.gz MJDFWDIMMHESNU-UHFFFAOYSA-N 0 3 299.827 2.567 20 30 CFEDHN COc1cc(CN(C)CC[C@H]2CCCO2)ccc1C#N ZINC000443064739 241036694 /nfs/dbraw/zinc/03/66/94/241036694.db2.gz CUYKZYZPROWXCF-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN Cc1cc(CNC[C@H](c2ccco2)N(C)C)ccc1C#N ZINC000443973501 241101185 /nfs/dbraw/zinc/10/11/85/241101185.db2.gz ZQQKOFQYKACTHY-MRXNPFEDSA-N 0 3 283.375 2.852 20 30 CFEDHN CO[C@H](C)CN(Cc1cc(C#N)cs1)C(C)C ZINC000353790763 294269535 /nfs/dbraw/zinc/26/95/35/294269535.db2.gz FAOODDZEEXMCBX-LLVKDONJSA-N 0 3 252.383 2.865 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC000674091794 541539172 /nfs/dbraw/zinc/53/91/72/541539172.db2.gz XHIKCQYHXDDJLY-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN CN(Cc1cc(C#N)cs1)[C@@H](CO)CC(C)(C)C ZINC000449587191 242051574 /nfs/dbraw/zinc/05/15/74/242051574.db2.gz NYHWFAIBQIFCCT-GFCCVEGCSA-N 0 3 266.410 2.849 20 30 CFEDHN CN(Cc1ccc(C#N)cc1F)[C@H](CO)CC(C)(C)C ZINC000449592432 242055267 /nfs/dbraw/zinc/05/52/67/242055267.db2.gz YINFZIBHWAKRLS-AWEZNQCLSA-N 0 3 278.371 2.926 20 30 CFEDHN COC[C@@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000449781801 242158950 /nfs/dbraw/zinc/15/89/50/242158950.db2.gz XYOOQNGTACNXBP-CQSZACIVSA-N 0 3 258.365 2.807 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000675155239 541620909 /nfs/dbraw/zinc/62/09/09/541620909.db2.gz GOGSAHWVYUMLDU-HNNXBMFYSA-N 0 3 264.413 2.745 20 30 CFEDHN C[C@@H]1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CN1C1CC1 ZINC000450380809 242386979 /nfs/dbraw/zinc/38/69/79/242386979.db2.gz SEFJCJLMVBWPGW-PWSUYJOCSA-N 0 3 286.335 2.504 20 30 CFEDHN CCC[C@H]1CNCCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000420240413 283984229 /nfs/dbraw/zinc/98/42/29/283984229.db2.gz UNZZRKIPAXOYHL-JTQLQIEISA-N 0 3 298.312 2.550 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000275964181 193174575 /nfs/dbraw/zinc/17/45/75/193174575.db2.gz BUHWBCPEGIPVRX-AEFFLSMTSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CC[C@@H](C(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000275981051 193179938 /nfs/dbraw/zinc/17/99/38/193179938.db2.gz MRHVEZBNCYVOAF-MRXNPFEDSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000276072367 193204865 /nfs/dbraw/zinc/20/48/65/193204865.db2.gz AANOITLXADLHSO-STQMWFEESA-N 0 3 278.371 2.899 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](O)C(C)(C)C2)c1 ZINC000276069405 193204327 /nfs/dbraw/zinc/20/43/27/193204327.db2.gz VZDHVEOPWKUQHJ-INIZCTEOSA-N 0 3 275.392 2.844 20 30 CFEDHN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(=O)Nc1nccs1 ZINC000329602473 299403003 /nfs/dbraw/zinc/40/30/03/299403003.db2.gz XZSGFFZPCZZDKQ-LNFKQOIKSA-N 0 3 295.408 2.523 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](O)C(C)(C)C1 ZINC000276117050 193217805 /nfs/dbraw/zinc/21/78/05/193217805.db2.gz YCAOHUCMRIOHKN-DOMZBBRYSA-N 0 3 258.365 2.712 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2ccc(C#N)cc2F)c1 ZINC000276131737 193221835 /nfs/dbraw/zinc/22/18/35/193221835.db2.gz ZBEUVYPNWDAVOD-KRWDZBQOSA-N 0 3 298.361 2.699 20 30 CFEDHN C#CC[C@@H](NC[C@@H](O)CC(F)(F)F)c1ccccc1 ZINC000276295730 193275047 /nfs/dbraw/zinc/27/50/47/193275047.db2.gz WIMMILBSKDFOEB-QWHCGFSZSA-N 0 3 271.282 2.654 20 30 CFEDHN C[C@H](NCCOCC(F)F)c1ccc(C#N)c(F)c1 ZINC000276594378 193394391 /nfs/dbraw/zinc/39/43/91/193394391.db2.gz DQMIYGZXNBNWQR-VIFPVBQESA-N 0 3 272.270 2.630 20 30 CFEDHN COCC#CCN(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000677133157 541825608 /nfs/dbraw/zinc/82/56/08/541825608.db2.gz KIRDYXFXVGBJNF-ZDUSSCGKSA-N 0 3 265.784 2.853 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000459462764 245186796 /nfs/dbraw/zinc/18/67/96/245186796.db2.gz MSKHUCBZNLTQOH-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN COCC#CCN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000677133312 541826245 /nfs/dbraw/zinc/82/62/45/541826245.db2.gz RFVYGJRTYSXOLQ-QGZVFWFLSA-N 0 3 257.377 2.652 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000459764398 245312927 /nfs/dbraw/zinc/31/29/27/245312927.db2.gz OKUDKIOPJYQKEL-LSDHHAIUSA-N 0 3 274.339 2.745 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2ccc(O)cc2)CC1 ZINC000677478882 541865589 /nfs/dbraw/zinc/86/55/89/541865589.db2.gz DZZSGEIRCYZEOU-INIZCTEOSA-N 0 3 261.365 2.509 20 30 CFEDHN C[C@@H](C1CC1)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000029724855 372384534 /nfs/dbraw/zinc/38/45/34/372384534.db2.gz IEHZIKNLISGIOC-LBPRGKRZSA-N 0 3 283.375 2.760 20 30 CFEDHN CC(C)CN(CC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000031582088 372412301 /nfs/dbraw/zinc/41/23/01/372412301.db2.gz HRPRJTBADGKRAU-UHFFFAOYSA-N 0 3 273.380 2.863 20 30 CFEDHN CCN(CC(C)C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037111581 372651080 /nfs/dbraw/zinc/65/10/80/372651080.db2.gz AAXBMJPVKFOACO-CYBMUJFWSA-N 0 3 273.380 2.863 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000042247610 372895725 /nfs/dbraw/zinc/89/57/25/372895725.db2.gz XIYHHKXRTKTWCR-ZNMIVQPWSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000431636985 383686844 /nfs/dbraw/zinc/68/68/44/383686844.db2.gz XWPCRKKMJRTVEU-FHLIZLRMSA-N 0 3 298.430 2.803 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1csc(Br)c1 ZINC000044826200 373009952 /nfs/dbraw/zinc/00/99/52/373009952.db2.gz VDOYMOZCOWIQBJ-SSDOTTSWSA-N 0 3 287.182 2.629 20 30 CFEDHN N#Cc1ccc(CN(C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC000046092429 373041822 /nfs/dbraw/zinc/04/18/22/373041822.db2.gz CFQVSMMAYIUWQO-CYBMUJFWSA-N 0 3 274.339 2.698 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H](C)CC)C(C)C ZINC000047633746 373109795 /nfs/dbraw/zinc/10/97/95/373109795.db2.gz RMXKZNGROCHASX-HUUCEWRRSA-N 0 3 266.429 2.847 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccccc2)cc1 ZINC000048776898 373220585 /nfs/dbraw/zinc/22/05/85/373220585.db2.gz SVXFBLPNWJBPJI-UHFFFAOYSA-N 0 3 252.317 2.727 20 30 CFEDHN CCN(Cc1ccncc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000049024103 373250024 /nfs/dbraw/zinc/25/00/24/373250024.db2.gz VJYPKYDQZJCZAY-QGZVFWFLSA-N 0 3 281.359 2.509 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000049492000 373303409 /nfs/dbraw/zinc/30/34/09/373303409.db2.gz WSWYCGBQDXJRNP-CZUORRHYSA-N 0 3 279.428 2.551 20 30 CFEDHN Cc1cccc(N2CCN(CCCCC#N)CC2)c1 ZINC000049579358 373313407 /nfs/dbraw/zinc/31/34/07/373313407.db2.gz GGBFRZTWFLPEBC-UHFFFAOYSA-N 0 3 257.381 2.811 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289698278 197451386 /nfs/dbraw/zinc/45/13/86/197451386.db2.gz ILMOZLAPYQSNOF-RYUDHWBXSA-N 0 3 296.798 2.502 20 30 CFEDHN CN(C)Cc1ccccc1CNC(=O)c1sccc1C#N ZINC000052034077 373432796 /nfs/dbraw/zinc/43/27/96/373432796.db2.gz DONIWRNRWXEMPT-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(F)c(C#N)c1 ZINC000451730469 383692583 /nfs/dbraw/zinc/69/25/83/383692583.db2.gz OUVMQNXNCPFTEH-HNNXBMFYSA-N 0 3 275.371 2.613 20 30 CFEDHN CC#CC[C@@H](CO)Nc1ccnc2ccc(OC(C)C)cc21 ZINC000645406725 383694184 /nfs/dbraw/zinc/69/41/84/383694184.db2.gz AUOXIQGUSRIPRB-AWEZNQCLSA-N 0 3 298.386 2.630 20 30 CFEDHN N#Cc1ccc(N[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000061846493 373732526 /nfs/dbraw/zinc/73/25/26/373732526.db2.gz DELANNYYZRRROL-GFCCVEGCSA-N 0 3 261.756 2.860 20 30 CFEDHN COc1ccc(CNCC[C@H](O)c2ccccc2)cc1C#N ZINC000289543644 197397045 /nfs/dbraw/zinc/39/70/45/197397045.db2.gz WYKSIWHUJQDSIJ-KRWDZBQOSA-N 0 3 296.370 2.780 20 30 CFEDHN C=CCN(CCCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000063287873 373800085 /nfs/dbraw/zinc/80/00/85/373800085.db2.gz KIJUZGRQXDPLOV-UHFFFAOYSA-N 0 3 264.325 2.619 20 30 CFEDHN C=CCN(CCCN1CCCC1=O)CCc1ccccc1 ZINC000065959264 373903171 /nfs/dbraw/zinc/90/31/71/373903171.db2.gz JEEILSDWTYXNLX-UHFFFAOYSA-N 0 3 286.419 2.730 20 30 CFEDHN C#CCN(Cc1cccc(C(N)=O)c1)C1CCCCC1 ZINC000065960242 373906735 /nfs/dbraw/zinc/90/67/35/373906735.db2.gz YNTTUHYKOJDUFJ-UHFFFAOYSA-N 0 3 270.376 2.553 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](CC)c1ccccc1 ZINC000066109837 373912374 /nfs/dbraw/zinc/91/23/74/373912374.db2.gz NDNAULDKUMPBQG-INIZCTEOSA-N 0 3 272.392 2.928 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000068045800 374020938 /nfs/dbraw/zinc/02/09/38/374020938.db2.gz PEVAQXQOGJBJQL-CQSZACIVSA-N 0 3 283.799 2.978 20 30 CFEDHN C=CCNC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000068564451 374033439 /nfs/dbraw/zinc/03/34/39/374033439.db2.gz LGIZRBCRMZHDPL-UHFFFAOYSA-N 0 3 295.814 2.599 20 30 CFEDHN C[C@@H]1CN(CCOc2ccccc2C#N)C[C@@H](C)S1 ZINC000070383228 374170086 /nfs/dbraw/zinc/17/00/86/374170086.db2.gz KBVPGFLKZCKHPX-CHWSQXEVSA-N 0 3 276.405 2.763 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC000073436890 374342305 /nfs/dbraw/zinc/34/23/05/374342305.db2.gz WJWSOSVRDORCPV-UHFFFAOYSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCC[C@H](C)C1 ZINC000073618661 374358631 /nfs/dbraw/zinc/35/86/31/374358631.db2.gz ZOBUYPMGQQHLGA-GJZGRUSLSA-N 0 3 264.413 2.698 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000678049977 541942078 /nfs/dbraw/zinc/94/20/78/541942078.db2.gz RPBRPLJSSGFDKK-TZMCWYRMSA-N 0 3 272.396 2.663 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(OCCc2ccccc2)CC1 ZINC000678050017 541942578 /nfs/dbraw/zinc/94/25/78/541942578.db2.gz SZBILHKQFWWZTG-GOSISDBHSA-N 0 3 289.419 2.647 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000078538760 374568879 /nfs/dbraw/zinc/56/88/79/374568879.db2.gz HKIWKXODXMLNJF-YCPHGPKFSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000079312028 374602225 /nfs/dbraw/zinc/60/22/25/374602225.db2.gz IHVLMYFQUSZGNS-UONOGXRCSA-N 0 3 290.407 2.815 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](CCO)C2)c1 ZINC000678240125 541982260 /nfs/dbraw/zinc/98/22/60/541982260.db2.gz JZFPOCXJLUMRGM-OAHLLOKOSA-N 0 3 275.392 2.846 20 30 CFEDHN C=C(C)CN1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000080937260 374676720 /nfs/dbraw/zinc/67/67/20/374676720.db2.gz RCTSGWMCFCRGSF-AWEZNQCLSA-N 0 3 273.380 2.617 20 30 CFEDHN CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CCCN(C)C1 ZINC000088058162 374832680 /nfs/dbraw/zinc/83/26/80/374832680.db2.gz ZZVJBJYYGYQHJV-LLVKDONJSA-N 0 3 298.312 2.502 20 30 CFEDHN CN(C)Cc1cccc(CNC(=O)c2cc(C#N)cs2)c1 ZINC000084180967 374765804 /nfs/dbraw/zinc/76/58/04/374765804.db2.gz RTSLBXQCXQAVBI-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=CCOc1cccc(CN(CCCO)C2CC2)c1 ZINC000678263187 541989436 /nfs/dbraw/zinc/98/94/36/541989436.db2.gz FJRPOBHVSHVMBL-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN CC#CCN1CCC(OCc2ccccc2C)CC1 ZINC000091813856 375063787 /nfs/dbraw/zinc/06/37/87/375063787.db2.gz CKWGWYFZVIQIBA-UHFFFAOYSA-N 0 3 257.377 2.999 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H](n3cccn3)C2)cc1 ZINC000092967864 375171101 /nfs/dbraw/zinc/17/11/01/375171101.db2.gz DOYGSSXQILZFBF-KRWDZBQOSA-N 0 3 295.386 2.732 20 30 CFEDHN CCN(CC)C(=O)[C@@H]1CCCN1CC(C)(C)CCC#N ZINC000092510970 375117685 /nfs/dbraw/zinc/11/76/85/375117685.db2.gz AIHIKMXAHPODKX-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000093419471 375236960 /nfs/dbraw/zinc/23/69/60/375236960.db2.gz OQWGCFMBVJVBGA-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN N#Cc1csc(CNC[C@H]2COc3ccccc3O2)c1 ZINC000093492088 375254790 /nfs/dbraw/zinc/25/47/90/375254790.db2.gz RBDDUFPJWPPMLA-LBPRGKRZSA-N 0 3 286.356 2.549 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H](COCC)C1 ZINC000093839174 375319348 /nfs/dbraw/zinc/31/93/48/375319348.db2.gz YHNPWFUWWXBLFB-OAHLLOKOSA-N 0 3 273.376 2.557 20 30 CFEDHN C=CCCCN(C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000093533573 375264388 /nfs/dbraw/zinc/26/43/88/375264388.db2.gz ZRMLQMDSLJFLDL-UHFFFAOYSA-N 0 3 277.364 2.864 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000103499755 375753731 /nfs/dbraw/zinc/75/37/31/375753731.db2.gz WOASEFHFNQRFSP-OLZOCXBDSA-N 0 3 290.432 2.587 20 30 CFEDHN Cc1occc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001243065759 781966431 /nfs/dbraw/zinc/96/64/31/781966431.db2.gz HZAKPOMMHGUUNH-GFCCVEGCSA-N 0 3 299.330 2.994 20 30 CFEDHN N#CC(C(=O)c1ccc(-c2ncon2)cc1)c1ccccn1 ZINC000107408651 375806215 /nfs/dbraw/zinc/80/62/15/375806215.db2.gz QJAOXCSLVWDNSJ-CYBMUJFWSA-N 0 3 290.282 2.622 20 30 CFEDHN C=CC1CCN(C(=O)NCCN2CCCC[C@@H]2CC)CC1 ZINC000113404374 376015525 /nfs/dbraw/zinc/01/55/25/376015525.db2.gz HTHPODDUEQTQJK-INIZCTEOSA-N 0 3 293.455 2.859 20 30 CFEDHN CCCCN(CC(=O)NCC#N)[C@@H](CC)c1ccccc1 ZINC000114727466 376084805 /nfs/dbraw/zinc/08/48/05/376084805.db2.gz MLHFAYNIWQUEIN-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]2CCCC[C@H]12 ZINC000640101126 383713395 /nfs/dbraw/zinc/71/33/95/383713395.db2.gz OBWBVLTYXMEYRP-RCCFBDPRSA-N 0 3 287.378 2.803 20 30 CFEDHN Cc1noc(C)c1C[C@H](C)NCc1ccc(C#N)cc1 ZINC000119814607 376480479 /nfs/dbraw/zinc/48/04/79/376480479.db2.gz VBMZMXNQLJHKJX-NSHDSACASA-N 0 3 269.348 2.884 20 30 CFEDHN C=CCN1CCC(NC(=O)NCc2sccc2C)CC1 ZINC000264407158 190107861 /nfs/dbraw/zinc/10/78/61/190107861.db2.gz NOODSMOTMKDBLW-UHFFFAOYSA-N 0 3 293.436 2.506 20 30 CFEDHN CN(CCc1ccccn1)Cc1cc(C#N)cs1 ZINC000120775085 376689616 /nfs/dbraw/zinc/68/96/16/376689616.db2.gz JDYSWVKTYPEIIJ-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N(CCN(C)C)CC(C)C ZINC000120852186 376708071 /nfs/dbraw/zinc/70/80/71/376708071.db2.gz UGYGQEBURJVDTQ-UHFFFAOYSA-N 0 3 287.407 2.527 20 30 CFEDHN CCN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCO1 ZINC000121024961 376748455 /nfs/dbraw/zinc/74/84/55/376748455.db2.gz ZNAPGFCFFGAUKY-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](N3CCCC3)C2)s1 ZINC000121330181 376808247 /nfs/dbraw/zinc/80/82/47/376808247.db2.gz NNRHSIOPFQVTNW-ZDUSSCGKSA-N 0 3 275.421 2.680 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000121480037 376842617 /nfs/dbraw/zinc/84/26/17/376842617.db2.gz WXPKQGVNVVOBJI-JTQLQIEISA-N 0 3 290.190 2.851 20 30 CFEDHN C=CCN(C)CCOc1ccccc1Br ZINC000121516380 376847916 /nfs/dbraw/zinc/84/79/16/376847916.db2.gz DOEVXWBWNJBSQK-UHFFFAOYSA-N 0 3 270.170 2.946 20 30 CFEDHN Cc1ccccc1[C@@H](C)NCC(=O)NC1(C#N)CCCCC1 ZINC000123190193 376950187 /nfs/dbraw/zinc/95/01/87/376950187.db2.gz GMCPHYHDRWWFEV-OAHLLOKOSA-N 0 3 299.418 2.988 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC000123428769 376955164 /nfs/dbraw/zinc/95/51/64/376955164.db2.gz ABYNFKCOILIGNF-HNNXBMFYSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000123714863 376970915 /nfs/dbraw/zinc/97/09/15/376970915.db2.gz BPEDFMHXJOEVOZ-ROUUACIJSA-N 0 3 289.419 2.995 20 30 CFEDHN Cn1ccnc1C[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000123831406 376986203 /nfs/dbraw/zinc/98/62/03/376986203.db2.gz WLKCMVXNUPWPMD-KRWDZBQOSA-N 0 3 294.402 2.746 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)C[C@@H]1CCCO1 ZINC000128028221 377312590 /nfs/dbraw/zinc/31/25/90/377312590.db2.gz ROUCRQAPERHKMB-KRWDZBQOSA-N 0 3 288.391 2.980 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CCC)C(C)(C)C)CC1 ZINC000491679093 261787002 /nfs/dbraw/zinc/78/70/02/261787002.db2.gz WLTXPQPZCDNCCG-OAHLLOKOSA-N 0 3 278.440 2.663 20 30 CFEDHN Cc1cc(C#N)nc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000287729228 291676788 /nfs/dbraw/zinc/67/67/88/291676788.db2.gz LQCCGGHOOIWDRY-XJKSGUPXSA-N 0 3 295.390 2.760 20 30 CFEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCCSCC#N ZINC000130540062 377572078 /nfs/dbraw/zinc/57/20/78/377572078.db2.gz SANSJSAEHIKAKY-CYBMUJFWSA-N 0 3 278.425 2.810 20 30 CFEDHN C=CCC[C@H](O)CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679539416 542205391 /nfs/dbraw/zinc/20/53/91/542205391.db2.gz AKROAPOITSHJRR-WOPDTQHZSA-N 0 3 265.319 2.976 20 30 CFEDHN C=CCC[C@H](O)CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679539415 542204885 /nfs/dbraw/zinc/20/48/85/542204885.db2.gz AKROAPOITSHJRR-UTUOFQBUSA-N 0 3 265.319 2.976 20 30 CFEDHN C=CCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000132737770 377872044 /nfs/dbraw/zinc/87/20/44/377872044.db2.gz JXMDVIOLVPKVML-UHFFFAOYSA-N 0 3 274.364 2.769 20 30 CFEDHN N#Cc1ccc(CNCCCOC2CCCCC2)o1 ZINC000135135107 378088025 /nfs/dbraw/zinc/08/80/25/378088025.db2.gz ILVHNKYCOXKJKG-UHFFFAOYSA-N 0 3 262.353 2.980 20 30 CFEDHN C[C@H](CCc1ccc(O)cc1)NCc1ccc(C#N)o1 ZINC000135173261 378095004 /nfs/dbraw/zinc/09/50/04/378095004.db2.gz HZECEFIWYHFMLW-GFCCVEGCSA-N 0 3 270.332 2.968 20 30 CFEDHN N#Cc1ccc(CNCC2(O)CCCCCC2)s1 ZINC000135692810 378158541 /nfs/dbraw/zinc/15/85/41/378158541.db2.gz SNYWBZDVJNWHRG-UHFFFAOYSA-N 0 3 264.394 2.795 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000150847588 378275865 /nfs/dbraw/zinc/27/58/65/378275865.db2.gz MEIIEZTYLLGOJY-UKRRQHHQSA-N 0 3 264.413 2.696 20 30 CFEDHN COC(C)(C)C[C@H](C)NCc1ccc(C#N)cc1F ZINC000151146702 378300742 /nfs/dbraw/zinc/30/07/42/378300742.db2.gz QCUUIVPJWYQGFZ-NSHDSACASA-N 0 3 264.344 2.991 20 30 CFEDHN C[C@@H](CC(=O)N1CCCCCC1)NCc1cccc(C#N)c1 ZINC000151387537 378323184 /nfs/dbraw/zinc/32/31/84/378323184.db2.gz ASWSDFQPSWNHCX-HNNXBMFYSA-N 0 3 299.418 2.829 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(C)cc1 ZINC000151683040 378347225 /nfs/dbraw/zinc/34/72/25/378347225.db2.gz DTWACBNFPHSRMI-DZGCQCFKSA-N 0 3 260.381 2.726 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)CC1(O)CCCC1 ZINC000152103389 378395328 /nfs/dbraw/zinc/39/53/28/378395328.db2.gz ZJMRKJXZAHIXQK-UHFFFAOYSA-N 0 3 277.795 2.928 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000153061328 378472067 /nfs/dbraw/zinc/47/20/67/378472067.db2.gz FQNPZJVIAVVDLK-CVEARBPZSA-N 0 3 256.349 2.559 20 30 CFEDHN O=C(NCC1(CCO)CCC1)[C@H]1CCCN1C1CCCC1 ZINC000328959009 378444651 /nfs/dbraw/zinc/44/46/51/378444651.db2.gz PTTNQFDHEOHQAY-OAHLLOKOSA-N 0 3 294.439 2.903 20 30 CFEDHN CC1(C)[C@H](NCC(=O)NC2CCCCC2)[C@@H]2CCO[C@@H]21 ZINC000329606265 378467948 /nfs/dbraw/zinc/46/79/48/378467948.db2.gz ZRQYOJMDJUUNQX-CFVMTHIKSA-N 0 3 280.412 2.679 20 30 CFEDHN CN1CC=C(CNC(=O)c2coc(C3CCCC3)n2)CC1 ZINC000328784163 378424349 /nfs/dbraw/zinc/42/43/49/378424349.db2.gz VOEOGMQYPLGYED-UHFFFAOYSA-N 0 3 289.379 2.899 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328870742 378434773 /nfs/dbraw/zinc/43/47/73/378434773.db2.gz DFLXREPHUCCMTJ-UMVBOHGHSA-N 0 3 293.411 2.715 20 30 CFEDHN C[C@@H]1CCCCCN1C([O-])=[NH+]C[C@H]1CCc2nccn2C1 ZINC000329919873 378512523 /nfs/dbraw/zinc/51/25/23/378512523.db2.gz RWUHAUAJQIFXIG-ZIAGYGMSSA-N 0 3 290.411 2.624 20 30 CFEDHN C[C@@H](c1cnn(C)c1)N(C)CCCC1(C#N)CCOCC1 ZINC000330388373 378542174 /nfs/dbraw/zinc/54/21/74/378542174.db2.gz NHYNHUVJPVXQIQ-AWEZNQCLSA-N 0 3 290.411 2.513 20 30 CFEDHN CCN(CC)C(=O)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000154342221 378560641 /nfs/dbraw/zinc/56/06/41/378560641.db2.gz MQLQNCQRVMUNSM-UONOGXRCSA-N 0 3 287.407 2.856 20 30 CFEDHN CC(C)[C@H](C)N(C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000330519300 378576344 /nfs/dbraw/zinc/57/63/44/378576344.db2.gz GNZLXPBIDMRSRU-HZSPNIEDSA-N 0 3 297.443 2.572 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC000330660186 378594934 /nfs/dbraw/zinc/59/49/34/378594934.db2.gz BBGFULKLIWJABU-AWEZNQCLSA-N 0 3 278.400 2.643 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC000330666402 378596447 /nfs/dbraw/zinc/59/64/47/378596447.db2.gz IERRELUQLZQMBK-ZDUSSCGKSA-N 0 3 292.427 2.723 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000155394631 378624768 /nfs/dbraw/zinc/62/47/68/378624768.db2.gz MARHLVSMKNAUCV-GFCCVEGCSA-N 0 3 287.344 2.706 20 30 CFEDHN CCCCCCCN1CCCN(Cc2noc(C)n2)CC1 ZINC000157970895 378663262 /nfs/dbraw/zinc/66/32/62/378663262.db2.gz WBPCXBOHROAPSL-UHFFFAOYSA-N 0 3 294.443 2.856 20 30 CFEDHN CC(C)[C@H](O)C(C)(C)CNCc1ccc(C#N)s1 ZINC000159058795 378683711 /nfs/dbraw/zinc/68/37/11/378683711.db2.gz HKAIAAYBFNWPHY-ZDUSSCGKSA-N 0 3 266.410 2.752 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000331443942 378688890 /nfs/dbraw/zinc/68/88/90/378688890.db2.gz SRGLDBPRUWNFLW-ZQIUZPCESA-N 0 3 291.439 2.551 20 30 CFEDHN CCC(CC)(CNCc1cc(C#N)ccc1F)C(=O)OC ZINC000159674903 378725006 /nfs/dbraw/zinc/72/50/06/378725006.db2.gz PWLMKUAYBUBPQD-UHFFFAOYSA-N 0 3 292.354 2.766 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)nc1 ZINC000160246768 378759408 /nfs/dbraw/zinc/75/94/08/378759408.db2.gz VATIJROPSZSELQ-KDOFPFPSSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@@H]1CN(CCCCNc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000161812002 378873260 /nfs/dbraw/zinc/87/32/60/378873260.db2.gz ZZLXKYPRYCVEGK-HUUCEWRRSA-N 0 3 287.407 2.860 20 30 CFEDHN N#Cc1ccn(C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000289471196 197363760 /nfs/dbraw/zinc/36/37/60/197363760.db2.gz WYLPIIFPMKNCJK-GOSISDBHSA-N 0 3 295.386 2.651 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000278584888 194056317 /nfs/dbraw/zinc/05/63/17/194056317.db2.gz ADILCHZJQRCYSB-VHRBIJSZSA-N 0 3 290.338 2.690 20 30 CFEDHN C=CCNC(=O)CN[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000278728232 194124918 /nfs/dbraw/zinc/12/49/18/194124918.db2.gz MNFSGAKPXPFRDW-HOTGVXAUSA-N 0 3 272.392 2.763 20 30 CFEDHN N#Cc1ccccc1CSCCNCc1ccccn1 ZINC000170670600 379136294 /nfs/dbraw/zinc/13/62/94/379136294.db2.gz VOQURXSPMLJGGC-UHFFFAOYSA-N 0 3 283.400 2.976 20 30 CFEDHN C[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1ccc(C#N)cc1F ZINC000334343589 379126429 /nfs/dbraw/zinc/12/64/29/379126429.db2.gz RFJAGPPJUGNWMB-GXFFZTMASA-N 0 3 284.338 2.629 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000335337875 379117574 /nfs/dbraw/zinc/11/75/74/379117574.db2.gz FQCITATZOBXMDR-HZGVNTEJSA-N 0 3 285.130 2.703 20 30 CFEDHN CC(C)(C#N)C(=O)N1CCCN(CC2CCCCC2)CC1 ZINC000334372416 379179815 /nfs/dbraw/zinc/17/98/15/379179815.db2.gz YOVQROFNTJLBCO-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN Cc1ccccc1[C@]1(F)CCN(C(=O)C(C)C#N)C1 ZINC000334374847 379183893 /nfs/dbraw/zinc/18/38/93/379183893.db2.gz DADOJNRAIBFFFJ-WFASDCNBSA-N 0 3 260.312 2.552 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000334381301 379195660 /nfs/dbraw/zinc/19/56/60/379195660.db2.gz JJFZHLAYVZHJLL-GOEBONIOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cnn(C=C)c1)C(C)C ZINC000278831545 194174977 /nfs/dbraw/zinc/17/49/77/194174977.db2.gz IUSSVSPSIZCSOU-KRWDZBQOSA-N 0 3 288.439 2.772 20 30 CFEDHN CC[C@@H](NCCc1nc(C)no1)c1ccc(C#N)cc1 ZINC000278839627 194177361 /nfs/dbraw/zinc/17/73/61/194177361.db2.gz USMCBAARLJKRRC-CQSZACIVSA-N 0 3 270.336 2.533 20 30 CFEDHN CC[C@@H](NCCOCC(F)F)c1ccc(C#N)cc1 ZINC000278866959 194190398 /nfs/dbraw/zinc/19/03/98/194190398.db2.gz WSKXKAQWGZUGIW-CYBMUJFWSA-N 0 3 268.307 2.881 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000335422631 379268318 /nfs/dbraw/zinc/26/83/18/379268318.db2.gz GPSYTFLAJMVUDR-DOMZBBRYSA-N 0 3 260.337 2.542 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3nc(C)ccc3o2)CC1 ZINC000171716080 379383332 /nfs/dbraw/zinc/38/33/32/379383332.db2.gz MKMIMBGXQJABMN-UHFFFAOYSA-N 0 3 299.374 2.516 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000171720548 379384235 /nfs/dbraw/zinc/38/42/35/379384235.db2.gz SQJAFWMSFVIZSW-KRWDZBQOSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCc2cccs2)CC1 ZINC000171727051 379387548 /nfs/dbraw/zinc/38/75/48/379387548.db2.gz FLJGDLHXHREXBT-UHFFFAOYSA-N 0 3 292.448 2.837 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000171639284 379362216 /nfs/dbraw/zinc/36/22/16/379362216.db2.gz XXMZAWDWVSOELR-UHFFFAOYSA-N 0 3 298.390 2.940 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2nc(C)c(C)s2)CC1 ZINC000171680042 379369061 /nfs/dbraw/zinc/36/90/61/379369061.db2.gz MYLWWVIIZCKGMJ-UHFFFAOYSA-N 0 3 294.424 2.532 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000171680256 379369161 /nfs/dbraw/zinc/36/91/61/379369161.db2.gz ABLWTDJWTXBBMD-UHFFFAOYSA-N 0 3 295.333 2.737 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000335556375 379506768 /nfs/dbraw/zinc/50/67/68/379506768.db2.gz CXJKJOWIRMOEAM-MLGOLLRUSA-N 0 3 274.339 2.909 20 30 CFEDHN CC(C)[C@H]1N(Cc2cc(C#N)n(C)c2)CC12CCOCC2 ZINC000335636320 379638365 /nfs/dbraw/zinc/63/83/65/379638365.db2.gz GPYWIOJXKQMLAQ-MRXNPFEDSA-N 0 3 287.407 2.534 20 30 CFEDHN CC(C(=O)Nc1ccc(F)c(C#N)c1)C(F)(F)F ZINC000335770688 379860818 /nfs/dbraw/zinc/86/08/18/379860818.db2.gz ZWNMIWSGKYMABV-ZCFIWIBFSA-N 0 3 260.190 2.834 20 30 CFEDHN COc1ccc(CN[C@H]2COc3ccccc3C2)cc1C#N ZINC000174319608 379863793 /nfs/dbraw/zinc/86/37/93/379863793.db2.gz MLGVXBLXDQOHEN-MRXNPFEDSA-N 0 3 294.354 2.660 20 30 CFEDHN CCc1cnc(CCNCc2ccc(C#N)o2)s1 ZINC000174624510 379919211 /nfs/dbraw/zinc/91/92/11/379919211.db2.gz QNJDCACABOKBKH-UHFFFAOYSA-N 0 3 261.350 2.502 20 30 CFEDHN C#CCSCCNCc1ccc(OC)c(Cl)c1 ZINC000174421314 379882862 /nfs/dbraw/zinc/88/28/62/379882862.db2.gz ZKXCUBRMINFFHC-UHFFFAOYSA-N 0 3 269.797 2.805 20 30 CFEDHN Cc1cc(CN2[C@@H](C)CC(O)C[C@@H]2C)ccc1C#N ZINC000335838252 379971477 /nfs/dbraw/zinc/97/14/77/379971477.db2.gz VQJRMQNUDPWKNQ-STQMWFEESA-N 0 3 258.365 2.600 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000335103097 379974541 /nfs/dbraw/zinc/97/45/41/379974541.db2.gz LHFMXAOACVMBGO-UKRRQHHQSA-N 0 3 256.349 2.942 20 30 CFEDHN Cc1cn[nH]c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334951517 379947330 /nfs/dbraw/zinc/94/73/30/379947330.db2.gz LSEHNSVDJWLIIW-OAHLLOKOSA-N 0 3 266.348 2.757 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000335154366 379984347 /nfs/dbraw/zinc/98/43/47/379984347.db2.gz AUUFCPAOGLVZTG-SMDDNHRTSA-N 0 3 258.321 2.518 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000335865226 380017098 /nfs/dbraw/zinc/01/70/98/380017098.db2.gz HOOYHOQLUDCNIP-SFYZADRCSA-N 0 3 299.143 2.925 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000335865227 380017486 /nfs/dbraw/zinc/01/74/86/380017486.db2.gz HOOYHOQLUDCNIP-YUMQZZPRSA-N 0 3 299.143 2.925 20 30 CFEDHN CC1(C)COC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000335221873 380031168 /nfs/dbraw/zinc/03/11/68/380031168.db2.gz JOOYJZUYCXQYIM-HUUCEWRRSA-N 0 3 256.349 2.560 20 30 CFEDHN C=CCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175370738 380052888 /nfs/dbraw/zinc/05/28/88/380052888.db2.gz CKGVCAUNEFCYPY-SJCJKPOMSA-N 0 3 251.395 2.993 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](O)C23CCCC3)cc1F ZINC000335235061 380055358 /nfs/dbraw/zinc/05/53/58/380055358.db2.gz KLQAFRWZKTUUSS-OAHLLOKOSA-N 0 3 274.339 2.577 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 ZINC000264458150 383742629 /nfs/dbraw/zinc/74/26/29/383742629.db2.gz FMAHLJRATPEBNY-UHFFFAOYSA-N 0 3 296.418 2.894 20 30 CFEDHN C[C@@H](N[C@@H]1CCc2nc[nH]c2C1)c1ccc(C#N)cc1F ZINC000336002515 380221651 /nfs/dbraw/zinc/22/16/51/380221651.db2.gz IJMRVWRYEGXKIG-ZYHUDNBSSA-N 0 3 284.338 2.629 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1C#N ZINC000177315768 380328844 /nfs/dbraw/zinc/32/88/44/380328844.db2.gz ANHFHNAVPPRSTJ-SJORKVTESA-N 0 3 287.382 2.756 20 30 CFEDHN CN(CCNCc1ccc(C#N)s1)c1ccccc1 ZINC000176945307 380286410 /nfs/dbraw/zinc/28/64/10/380286410.db2.gz RTIJTVBYDWCISK-UHFFFAOYSA-N 0 3 271.389 2.846 20 30 CFEDHN N#Cc1csc(CNCCOc2ccc(C#N)cc2)c1 ZINC000177706355 380371343 /nfs/dbraw/zinc/37/13/43/380371343.db2.gz DBMXRNCZSRWXOD-UHFFFAOYSA-N 0 3 283.356 2.660 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000336444297 380347684 /nfs/dbraw/zinc/34/76/84/380347684.db2.gz UNOCBGBUGMHZNT-ZFWWWQNUSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000336444294 380348184 /nfs/dbraw/zinc/34/81/84/380348184.db2.gz UNOCBGBUGMHZNT-DZGCQCFKSA-N 0 3 256.349 2.770 20 30 CFEDHN N#Cc1cccc(NC(=O)CN2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000177536407 380352141 /nfs/dbraw/zinc/35/21/41/380352141.db2.gz APCQMDXEKFPHPA-GJZGRUSLSA-N 0 3 283.375 2.619 20 30 CFEDHN C[C@H](O)CCN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000279069886 194270451 /nfs/dbraw/zinc/27/04/51/194270451.db2.gz LOJGBDFITYWXGS-UWVGGRQHSA-N 0 3 252.745 2.633 20 30 CFEDHN N#Cc1csc(CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000336492320 380360386 /nfs/dbraw/zinc/36/03/86/380360386.db2.gz OVOCXQITXYEVNK-AWEZNQCLSA-N 0 3 276.405 2.868 20 30 CFEDHN COCCO[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000179342299 380531728 /nfs/dbraw/zinc/53/17/28/380531728.db2.gz AAWSQIMLEDSWLB-PBHICJAKSA-N 0 3 288.391 2.747 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)s1 ZINC000336613090 380548962 /nfs/dbraw/zinc/54/89/62/380548962.db2.gz YDUPGNLJUWIABU-CHWSQXEVSA-N 0 3 276.405 2.868 20 30 CFEDHN N#Cc1ccc(OCCCN2CCOC3(CCC3)C2)cc1 ZINC000179584128 380560708 /nfs/dbraw/zinc/56/07/08/380560708.db2.gz BHNTYMZYUFUOBC-UHFFFAOYSA-N 0 3 286.375 2.582 20 30 CFEDHN C=CCCN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000336686810 380592354 /nfs/dbraw/zinc/59/23/54/380592354.db2.gz TZQPNECGKUDGJV-LBPRGKRZSA-N 0 3 288.160 2.787 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000529694968 383747788 /nfs/dbraw/zinc/74/77/88/383747788.db2.gz RSHZXBTUZFBSBF-SECBINFHSA-N 0 3 273.361 2.807 20 30 CFEDHN COc1ccc(CN(CCCC#N)[C@H](CO)C(C)C)cc1 ZINC000179929847 380599889 /nfs/dbraw/zinc/59/98/89/380599889.db2.gz YAENHRNEPFVVHD-QGZVFWFLSA-N 0 3 290.407 2.818 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000180033405 380612200 /nfs/dbraw/zinc/61/22/00/380612200.db2.gz ODGQGJWRMMRJAM-AWEZNQCLSA-N 0 3 295.386 2.701 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 ZINC000180509710 380669505 /nfs/dbraw/zinc/66/95/05/380669505.db2.gz IZOLMWARVWQDGG-ZDUSSCGKSA-N 0 3 296.374 2.629 20 30 CFEDHN CC(C)NC(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000180512802 380669556 /nfs/dbraw/zinc/66/95/56/380669556.db2.gz POYQAFYNNAPPCX-VIFPVBQESA-N 0 3 292.289 2.563 20 30 CFEDHN CN(C)c1cccc(NCc2ccc(C#N)cc2)n1 ZINC000180528212 380672632 /nfs/dbraw/zinc/67/26/32/380672632.db2.gz OSMHDMWWIUGFPX-UHFFFAOYSA-N 0 3 252.321 2.631 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000180892125 380709971 /nfs/dbraw/zinc/70/99/71/380709971.db2.gz XAJVZQZZFWEVDK-LSDHHAIUSA-N 0 3 281.444 2.905 20 30 CFEDHN C[C@H](NCCCC#N)c1cccc(-n2ccnc2)c1 ZINC000180660562 380687444 /nfs/dbraw/zinc/68/74/44/380687444.db2.gz CMDUGQKTYUWSRS-ZDUSSCGKSA-N 0 3 254.337 2.827 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000180907489 380711551 /nfs/dbraw/zinc/71/15/51/380711551.db2.gz SYAMVCMHSUEXNE-QWHCGFSZSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000180907507 380711669 /nfs/dbraw/zinc/71/16/69/380711669.db2.gz SYAMVCMHSUEXNE-CHWSQXEVSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3cccnc32)CC1 ZINC000264515604 383749201 /nfs/dbraw/zinc/74/92/01/383749201.db2.gz UYZDTTWTHNAOHF-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000181087161 380736586 /nfs/dbraw/zinc/73/65/86/380736586.db2.gz ZWYFAVBMHMPZEM-HUUCEWRRSA-N 0 3 281.444 2.714 20 30 CFEDHN C#CCSCCN[C@H](C)c1sc(C)nc1C ZINC000181094746 380738694 /nfs/dbraw/zinc/73/86/94/380738694.db2.gz JDATVMRNDFQNEW-SECBINFHSA-N 0 3 254.424 2.777 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000181108935 380741073 /nfs/dbraw/zinc/74/10/73/380741073.db2.gz QNZBSDFGYYAUFS-ZNMIVQPWSA-N 0 3 281.444 2.855 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000181108952 380741254 /nfs/dbraw/zinc/74/12/54/380741254.db2.gz QNZBSDFGYYAUFS-KKUMJFAQSA-N 0 3 281.444 2.855 20 30 CFEDHN C=C(C)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181335065 380777867 /nfs/dbraw/zinc/77/78/67/380777867.db2.gz FCJWEMRUZHNUPH-GFCCVEGCSA-N 0 3 260.337 2.870 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(N2CCCC2=O)cc1 ZINC000181387442 380785481 /nfs/dbraw/zinc/78/54/81/380785481.db2.gz SWCLXNUTJVAGCO-CYBMUJFWSA-N 0 3 271.364 2.768 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181428038 380791522 /nfs/dbraw/zinc/79/15/22/380791522.db2.gz UVAKUTLFJRCOIS-HOTGVXAUSA-N 0 3 258.365 2.541 20 30 CFEDHN CC(C)(C)[C@H](CCO)NCc1ccc(F)cc1C#N ZINC000181472408 380800894 /nfs/dbraw/zinc/80/08/94/380800894.db2.gz CYTFFNBZSQQWKE-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN COC[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000181677237 380863381 /nfs/dbraw/zinc/86/33/81/380863381.db2.gz ARZROBCFZZBDFI-SFHVURJKSA-N 0 3 296.370 2.914 20 30 CFEDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000353816853 380874282 /nfs/dbraw/zinc/87/42/82/380874282.db2.gz FWGTTXIATMOEMV-MJEQTWJJSA-N 0 3 299.418 2.902 20 30 CFEDHN CCC(CC)(CNCc1cc(C#N)cs1)C(=O)OC ZINC000181569644 380831279 /nfs/dbraw/zinc/83/12/79/380831279.db2.gz HBCXMUCXUMAVJU-UHFFFAOYSA-N 0 3 280.393 2.689 20 30 CFEDHN C[C@H](C(=O)NCC1CCC(C#N)CC1)N1CCCCCC1 ZINC000408425465 380925867 /nfs/dbraw/zinc/92/58/67/380925867.db2.gz LVJSNWXIQFWMHO-QQFBHYJXSA-N 0 3 291.439 2.697 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000408437504 380926513 /nfs/dbraw/zinc/92/65/13/380926513.db2.gz WBEXBQLKCVQCCN-KCYZZUKISA-N 0 3 293.455 2.797 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(OC(F)F)c(F)c1 ZINC000341266401 380883683 /nfs/dbraw/zinc/88/36/83/380883683.db2.gz IOCSMNIMQPQUER-LLVKDONJSA-N 0 3 289.297 2.701 20 30 CFEDHN C=C(CC)CN1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000358510239 380892865 /nfs/dbraw/zinc/89/28/65/380892865.db2.gz PBQVHKOVMHLELR-LSDHHAIUSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000295500892 380897664 /nfs/dbraw/zinc/89/76/64/380897664.db2.gz SMRASCHHQPDBBU-STQMWFEESA-N 0 3 272.392 2.905 20 30 CFEDHN CC[C@@H](CSC)NCc1ccc(C#N)c(F)c1 ZINC000403989799 380897916 /nfs/dbraw/zinc/89/79/16/380897916.db2.gz IUHOFQUVKNDFFP-LBPRGKRZSA-N 0 3 252.358 2.929 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)C(C)(C)c1ccccc1 ZINC000181796189 380898738 /nfs/dbraw/zinc/89/87/38/380898738.db2.gz YGTNLHDUHGFTLY-ZIAGYGMSSA-N 0 3 274.408 2.633 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)c(F)c2)cs1 ZINC000404109600 380899177 /nfs/dbraw/zinc/89/91/77/380899177.db2.gz IXWQRCOMLAAFOL-UHFFFAOYSA-N 0 3 275.352 2.795 20 30 CFEDHN Cc1ccc(CCNCc2ccc(C#N)c(F)c2)nc1 ZINC000404154358 380901933 /nfs/dbraw/zinc/90/19/33/380901933.db2.gz NUUBLVJQGLGUQS-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN Cc1noc(CCCN[C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000358565774 380931100 /nfs/dbraw/zinc/93/11/00/380931100.db2.gz AIVKYAQGAODMCI-JTQLQIEISA-N 0 3 288.326 2.672 20 30 CFEDHN C#CCSCCNCc1c(C2CC2)nc2sccn12 ZINC000181833020 380909288 /nfs/dbraw/zinc/90/92/88/380909288.db2.gz HINPQYSYVAYHAM-UHFFFAOYSA-N 0 3 291.445 2.729 20 30 CFEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000407991931 380911826 /nfs/dbraw/zinc/91/18/26/380911826.db2.gz YCIGSLWANPCDBH-SOUVJXGZSA-N 0 3 291.439 2.553 20 30 CFEDHN C#Cc1ccc(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1 ZINC000295535757 380924328 /nfs/dbraw/zinc/92/43/28/380924328.db2.gz RRWDXWROZINDQK-KFWWJZLASA-N 0 3 284.403 2.545 20 30 CFEDHN Cc1sc(NC(=O)CN[C@@H]2CCC[C@H]2C)c(C#N)c1C ZINC000279262579 194358345 /nfs/dbraw/zinc/35/83/45/194358345.db2.gz MJVVNOJTHSNOKR-NOZJJQNGSA-N 0 3 291.420 2.953 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000287929852 380974196 /nfs/dbraw/zinc/97/41/96/380974196.db2.gz DQWNFXWWQBHEJG-MRXNPFEDSA-N 0 3 291.439 2.779 20 30 CFEDHN C[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)[S@@](C)=O ZINC000358567093 380934245 /nfs/dbraw/zinc/93/42/45/380934245.db2.gz JCYUMPJKMQMNSE-RMDKCXRXSA-N 0 3 282.384 2.505 20 30 CFEDHN C[C@H](NC[C@@H]1CCC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000358576361 380942779 /nfs/dbraw/zinc/94/27/79/380942779.db2.gz UAKCVIBEGQTNSX-YUTCNCBUSA-N 0 3 276.355 2.899 20 30 CFEDHN CCCN(Cc1ccccc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411132730 381009324 /nfs/dbraw/zinc/00/93/24/381009324.db2.gz YJENBARPJZKGHT-OAHLLOKOSA-N 0 3 299.418 2.850 20 30 CFEDHN C[C@H](CCC#N)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000411175999 381012367 /nfs/dbraw/zinc/01/23/67/381012367.db2.gz RTWPNDABVPLLKM-HUUCEWRRSA-N 0 3 291.439 2.649 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(CCC)CCC ZINC000411165370 381013434 /nfs/dbraw/zinc/01/34/34/381013434.db2.gz JYCVLJSXKVSSJB-AWEZNQCLSA-N 0 3 254.418 2.922 20 30 CFEDHN N#CC1(CCN2CCN(CC3CC3)CC2)CCCCC1 ZINC000411177924 381015800 /nfs/dbraw/zinc/01/58/00/381015800.db2.gz IMXXGSHAWPGWOC-UHFFFAOYSA-N 0 3 275.440 2.878 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)CCc1ccccc1 ZINC000182194070 381016862 /nfs/dbraw/zinc/01/68/62/381016862.db2.gz LRWXPHQHZWMHFA-IBGZPJMESA-N 0 3 294.398 2.984 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H](C)C(=O)N(C)C ZINC000411259269 381021306 /nfs/dbraw/zinc/02/13/06/381021306.db2.gz NAQYUEFXIXSENO-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H](CCN(C)[C@H](C)CC#N)CCN(C)[C@@H](C)CC#N ZINC000411314704 381022440 /nfs/dbraw/zinc/02/24/40/381022440.db2.gz FQOTWCCBUFVWPK-MUJYYYPQSA-N 0 3 278.444 2.871 20 30 CFEDHN C=CCOc1cccc(CNCC(C)(C)C(=O)OC)c1 ZINC000182227103 381030177 /nfs/dbraw/zinc/03/01/77/381030177.db2.gz USBAHIQHCULMCM-UHFFFAOYSA-N 0 3 277.364 2.540 20 30 CFEDHN CC1(CO)CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411531126 381030749 /nfs/dbraw/zinc/03/07/49/381030749.db2.gz WBKFQAGSENSWBY-UHFFFAOYSA-N 0 3 264.413 2.945 20 30 CFEDHN C=C(C)[C@H](NCC[C@@H](C)O)c1ccc(F)c(F)c1 ZINC000411557681 381031109 /nfs/dbraw/zinc/03/11/09/381031109.db2.gz RABYXPOPONUANC-YGRLFVJLSA-N 0 3 255.308 2.943 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc(C#N)c(F)c1 ZINC000368508893 381049701 /nfs/dbraw/zinc/04/97/01/381049701.db2.gz VUSLQHZRRGHZEY-IUKJFTNHSA-N 0 3 286.350 2.553 20 30 CFEDHN CC[C@H](NCc1cc(C#N)ccc1F)[C@@H]1CCCO1 ZINC000182287082 381050796 /nfs/dbraw/zinc/05/07/96/381050796.db2.gz CJKAYRQTPCUJKQ-GJZGRUSLSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCCC[C@@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000182344065 381069107 /nfs/dbraw/zinc/06/91/07/381069107.db2.gz BYMMNUXJIJCFLY-BXUZGUMPSA-N 0 3 264.344 2.687 20 30 CFEDHN C[C@H](CNc1nccc(C#N)c1Cl)N1CCCC[C@@H]1C ZINC000341533860 381070115 /nfs/dbraw/zinc/07/01/15/381070115.db2.gz OGPVDVRDLKIEPV-NWDGAFQWSA-N 0 3 292.814 2.703 20 30 CFEDHN C=C(C)[C@H](NCC[C@H](C)O)c1ccc(F)c(F)c1 ZINC000411557677 381032973 /nfs/dbraw/zinc/03/29/73/381032973.db2.gz RABYXPOPONUANC-HZMBPMFUSA-N 0 3 255.308 2.943 20 30 CFEDHN CCCCNC(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000341476406 381036584 /nfs/dbraw/zinc/03/65/84/381036584.db2.gz CJYKBRCAHYBWJJ-UHFFFAOYSA-N 0 3 299.418 2.829 20 30 CFEDHN CC#CCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289549263 381038440 /nfs/dbraw/zinc/03/84/40/381038440.db2.gz MZKFTYICFXRZAO-UHFFFAOYSA-N 0 3 255.361 2.956 20 30 CFEDHN CC(C)n1nccc1CNCCc1cccc(C#N)c1 ZINC000341488888 381044945 /nfs/dbraw/zinc/04/49/45/381044945.db2.gz PRGBHFAKAFRXRG-UHFFFAOYSA-N 0 3 268.364 2.668 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000289638765 381081917 /nfs/dbraw/zinc/08/19/17/381081917.db2.gz FOSAJRSPKYNPAO-UWVGGRQHSA-N 0 3 259.271 2.903 20 30 CFEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289686794 381103595 /nfs/dbraw/zinc/10/35/95/381103595.db2.gz ZYFMMKVFILNOSS-NWDGAFQWSA-N 0 3 278.783 2.977 20 30 CFEDHN C=C(CC)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000358818672 381104491 /nfs/dbraw/zinc/10/44/91/381104491.db2.gz PDMHWBDZIKVYOI-ZDUSSCGKSA-N 0 3 260.385 2.828 20 30 CFEDHN CC#CCCNCc1ccc(OCCC)c(OC)c1 ZINC000354179005 381123283 /nfs/dbraw/zinc/12/32/83/381123283.db2.gz MPKXSPZTQRQNKE-UHFFFAOYSA-N 0 3 261.365 2.987 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000411971920 381075376 /nfs/dbraw/zinc/07/53/76/381075376.db2.gz PFZULBMZVPXDGK-BZNIZROVSA-N 0 3 276.355 2.991 20 30 CFEDHN CC#CCCNCc1cnc(-c2ccncc2)s1 ZINC000354178167 381121423 /nfs/dbraw/zinc/12/14/23/381121423.db2.gz JOVCNQTXPYFFNE-UHFFFAOYSA-N 0 3 257.362 2.708 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411975551 381077974 /nfs/dbraw/zinc/07/79/74/381077974.db2.gz VIDLJJWXMISHRH-YVEFUNNKSA-N 0 3 288.391 2.860 20 30 CFEDHN C=CCc1cc(CNC[C@@H](CC)OC)cc(OC)c1O ZINC000289810059 381168390 /nfs/dbraw/zinc/16/83/90/381168390.db2.gz MXIGZMAFVZGWBQ-CQSZACIVSA-N 0 3 279.380 2.644 20 30 CFEDHN C[C@@H]1CC(C)(C)CN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000412050516 381131910 /nfs/dbraw/zinc/13/19/10/381131910.db2.gz YOXOACGNDLPDKR-CJNGLKHVSA-N 0 3 297.402 2.784 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000289817699 381173395 /nfs/dbraw/zinc/17/33/95/381173395.db2.gz OVORHQMDLKAQOR-CABZTGNLSA-N 0 3 259.271 2.903 20 30 CFEDHN CC[C@@H](C)N1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000295986950 381198564 /nfs/dbraw/zinc/19/85/64/381198564.db2.gz LOGSTCZQKTVYPU-LLVKDONJSA-N 0 3 278.787 2.527 20 30 CFEDHN CC(C)(CCC#N)CNCc1ccn(C(F)F)n1 ZINC000342294509 381255726 /nfs/dbraw/zinc/25/57/26/381255726.db2.gz HMROABMRLRLPGR-UHFFFAOYSA-N 0 3 256.300 2.698 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000289932140 381223558 /nfs/dbraw/zinc/22/35/58/381223558.db2.gz TUNFOSSGYSAMJA-OALUTQOASA-N 0 3 292.382 2.814 20 30 CFEDHN CN1CC[C@@H](CNc2nccnc2C#N)[C@H]1c1cccs1 ZINC000369561061 381288928 /nfs/dbraw/zinc/28/89/28/381288928.db2.gz MQITYLPLLPGOKK-FZMZJTMJSA-N 0 3 299.403 2.515 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000347680248 381292976 /nfs/dbraw/zinc/29/29/76/381292976.db2.gz AKHZEXPPVALUAL-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN Cc1cccc([C@@H](C)N2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000369608952 381298032 /nfs/dbraw/zinc/29/80/32/381298032.db2.gz KOIXIIURGGWOKJ-CQSZACIVSA-N 0 3 295.390 2.856 20 30 CFEDHN COc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)ccn1 ZINC000347653109 381278216 /nfs/dbraw/zinc/27/82/16/381278216.db2.gz SJVYPOYVACGYSV-CYBMUJFWSA-N 0 3 297.358 2.691 20 30 CFEDHN C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000296245936 381318627 /nfs/dbraw/zinc/31/86/27/381318627.db2.gz BAMLDOOWCDBFMV-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000347785334 381349157 /nfs/dbraw/zinc/34/91/57/381349157.db2.gz CMXDYYAXPWXVFI-ZDUSSCGKSA-N 0 3 296.317 2.674 20 30 CFEDHN C#C[C@H](NCc1cc(OC)c(O)c(OC)c1)C(C)(C)C ZINC000290245876 381357251 /nfs/dbraw/zinc/35/72/51/381357251.db2.gz VDHDBIHCPCSTEI-AWEZNQCLSA-N 0 3 277.364 2.547 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1cccnc1)C(C)(C)C ZINC000290257348 381360438 /nfs/dbraw/zinc/36/04/38/381360438.db2.gz WIOPKAVNPANPJZ-CQSZACIVSA-N 0 3 268.364 2.609 20 30 CFEDHN CC(C)(CCC#N)CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354699979 381408597 /nfs/dbraw/zinc/40/85/97/381408597.db2.gz GUXSQPCTOJCFEE-ZBFHGGJFSA-N 0 3 262.397 2.960 20 30 CFEDHN N#Cc1ccc(NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000290453219 381435818 /nfs/dbraw/zinc/43/58/18/381435818.db2.gz DJNVAWUXWDFXEC-UHFFFAOYSA-N 0 3 286.335 2.505 20 30 CFEDHN C=C(C)CN(CCCNC(C)=O)Cc1ccccc1 ZINC000348223411 381474710 /nfs/dbraw/zinc/47/47/10/381474710.db2.gz GYBKLUJFUXFGOX-UHFFFAOYSA-N 0 3 260.381 2.591 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000348044632 381456151 /nfs/dbraw/zinc/45/61/51/381456151.db2.gz BLCKXCMEBOKJHV-OAHLLOKOSA-N 0 3 292.427 2.631 20 30 CFEDHN CC(C)[C@@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348062233 381460999 /nfs/dbraw/zinc/46/09/99/381460999.db2.gz CIFCHEBKZGJTJW-CJNGLKHVSA-N 0 3 283.375 2.743 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccsc2)cc1 ZINC000348133648 381464252 /nfs/dbraw/zinc/46/42/52/381464252.db2.gz XEOKXZIFMWIEOJ-HNNXBMFYSA-N 0 3 295.367 2.618 20 30 CFEDHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCOC1 ZINC000348134345 381464698 /nfs/dbraw/zinc/46/46/98/381464698.db2.gz HCXJLQDKCHCCFN-ZFWWWQNUSA-N 0 3 261.340 2.582 20 30 CFEDHN CN(C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000348340839 381517837 /nfs/dbraw/zinc/51/78/37/381517837.db2.gz YDSUUWFDVIEIDI-MAZHCROVSA-N 0 3 275.371 2.710 20 30 CFEDHN CC#CCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000185035048 381518321 /nfs/dbraw/zinc/51/83/21/381518321.db2.gz IUBATRKHEXHIMY-ACJLOTCBSA-N 0 3 263.406 2.830 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@H]1CF ZINC000359595211 381494461 /nfs/dbraw/zinc/49/44/61/381494461.db2.gz LHHVAOLBMHYLOL-HUUCEWRRSA-N 0 3 274.339 2.719 20 30 CFEDHN CN(C)[C@@H](CNc1cccnc1C#N)c1ccsc1 ZINC000290603698 381495525 /nfs/dbraw/zinc/49/55/25/381495525.db2.gz ZGTKHKAYFGLTKD-AWEZNQCLSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCCC(=O)N(CCC)CCN1CCCCC1 ZINC000342795490 381545267 /nfs/dbraw/zinc/54/52/67/381545267.db2.gz NXWIYAZAOKNREV-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN CCCC[C@@H](COC)NCc1cnc2ccc(C#N)cn12 ZINC000342797008 381547369 /nfs/dbraw/zinc/54/73/69/381547369.db2.gz MSRCBUANZSFNRO-AWEZNQCLSA-N 0 3 286.379 2.501 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)CC(C)(C)C#N ZINC000342798374 381549713 /nfs/dbraw/zinc/54/97/13/381549713.db2.gz VFFWDZVODLJQQG-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCc3c2cccc3O)cc1 ZINC000296761485 381531794 /nfs/dbraw/zinc/53/17/94/381531794.db2.gz PFVFIZXXXXSLEN-WMZOPIPTSA-N 0 3 294.354 2.574 20 30 CFEDHN C[C@@H](CCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348449837 381572881 /nfs/dbraw/zinc/57/28/81/381572881.db2.gz YGLRZXKSUMZTMZ-SUMWQHHRSA-N 0 3 295.386 2.935 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cc(C)n(C)n1)C(C)C ZINC000414276800 381574195 /nfs/dbraw/zinc/57/41/95/381574195.db2.gz USBUUHXDDVFYIE-KRWDZBQOSA-N 0 3 290.455 2.517 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)N[C@@H](C)CS(=O)(=O)CC ZINC000414293481 381575430 /nfs/dbraw/zinc/57/54/30/381575430.db2.gz CTSNXSRYODMMJX-GOEBONIOSA-N 0 3 295.448 2.587 20 30 CFEDHN CC(C)C[C@H](CO)N(C)CC#Cc1ccc(F)cc1 ZINC000185350493 381607198 /nfs/dbraw/zinc/60/71/98/381607198.db2.gz WGNVQDDIHCTCAW-MRXNPFEDSA-N 0 3 263.356 2.516 20 30 CFEDHN CCCC(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000371412345 381618743 /nfs/dbraw/zinc/61/87/43/381618743.db2.gz UVEYTKGOFOFYKE-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN CN(C)Cc1ccc(CNC(=O)c2ccc(C#N)s2)cc1 ZINC000342924940 381619505 /nfs/dbraw/zinc/61/95/05/381619505.db2.gz LXYPMCUOJTXYKO-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000348546721 381626760 /nfs/dbraw/zinc/62/67/60/381626760.db2.gz NHBMIZKLVIVJNM-VXGBXAGGSA-N 0 3 292.345 2.809 20 30 CFEDHN C=CCOc1ccc(CN2CCN(CC)C[C@@H]2C)cc1 ZINC000348556819 381635927 /nfs/dbraw/zinc/63/59/27/381635927.db2.gz PWGPGOPCXJXMQH-HNNXBMFYSA-N 0 3 274.408 2.777 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2cccnc2)cc1 ZINC000343389777 381681310 /nfs/dbraw/zinc/68/13/10/381681310.db2.gz LQHOVRITEVYPFD-SJORKVTESA-N 0 3 279.343 2.573 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)[C@H]1SC ZINC000298587555 381681830 /nfs/dbraw/zinc/68/18/30/381681830.db2.gz YEWFCNGWYQJVSQ-RBSFLKMASA-N 0 3 276.405 2.557 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000371707703 381684862 /nfs/dbraw/zinc/68/48/62/381684862.db2.gz CZLIXUWRRQQDLB-ZBFHGGJFSA-N 0 3 279.355 2.606 20 30 CFEDHN CCC[C@@H]1CN(CCC#N)CCN1Cc1ccccc1 ZINC000343407339 381692399 /nfs/dbraw/zinc/69/23/99/381692399.db2.gz XBQHRESURLOBMA-QGZVFWFLSA-N 0 3 271.408 2.887 20 30 CFEDHN C[C@@H](C(=O)NCCN1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360015408 381729521 /nfs/dbraw/zinc/72/95/21/381729521.db2.gz JTLXWINBJWCMFY-HUUCEWRRSA-N 0 3 299.418 2.510 20 30 CFEDHN C[C@H](C(=O)NCCN1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360015404 381729769 /nfs/dbraw/zinc/72/97/69/381729769.db2.gz JTLXWINBJWCMFY-CABCVRRESA-N 0 3 299.418 2.510 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)s1 ZINC000291285651 381737254 /nfs/dbraw/zinc/73/72/54/381737254.db2.gz PBRVFGNRWAWWKA-QGZVFWFLSA-N 0 3 298.411 2.756 20 30 CFEDHN CCN(Cc1ccc(F)c(C#N)c1)C[C@H](C)OC ZINC000291311061 381744842 /nfs/dbraw/zinc/74/48/42/381744842.db2.gz SZAFYGCJIFXPRN-NSHDSACASA-N 0 3 250.317 2.554 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC000355319389 381749897 /nfs/dbraw/zinc/74/98/97/381749897.db2.gz RAYQOYWWTJXZTA-DZGCQCFKSA-N 0 3 293.374 2.596 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C3CC3)C2)c1C#N ZINC000343503253 381756568 /nfs/dbraw/zinc/75/65/68/381756568.db2.gz ABTFVTDEKUFCEX-JTQLQIEISA-N 0 3 276.771 2.564 20 30 CFEDHN CC[C@@H](CNc1ncc(Cl)c(C)c1C#N)N1CCCC1 ZINC000343504130 381756584 /nfs/dbraw/zinc/75/65/84/381756584.db2.gz CBSQUGLUUWTDKX-LBPRGKRZSA-N 0 3 292.814 2.623 20 30 CFEDHN C=CCN(CC=C)CCc1ccc2c(c1)OCCO2 ZINC000360009331 381726308 /nfs/dbraw/zinc/72/63/08/381726308.db2.gz CPBUSSUQSFRIDF-UHFFFAOYSA-N 0 3 259.349 2.674 20 30 CFEDHN CN(C)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185764289 381726864 /nfs/dbraw/zinc/72/68/64/381726864.db2.gz PSOTXNVUQJPDNB-HUUCEWRRSA-N 0 3 257.381 2.925 20 30 CFEDHN C=CCOCCCN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000343540799 381783904 /nfs/dbraw/zinc/78/39/04/381783904.db2.gz GNTLLBNVYLPIQN-HZPDHXFCSA-N 0 3 279.355 2.526 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000355606981 381785932 /nfs/dbraw/zinc/78/59/32/381785932.db2.gz YUSMTZJJVMMULZ-KBPBESRZSA-N 0 3 293.411 2.974 20 30 CFEDHN C=CCCC1(C(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000355617238 381787070 /nfs/dbraw/zinc/78/70/70/381787070.db2.gz CSFRJRZHFLTVJK-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN CC#CCCNCc1cccc(OCCCC#N)c1 ZINC000360969747 381797990 /nfs/dbraw/zinc/79/79/90/381797990.db2.gz UZPUAMPJROZXHT-UHFFFAOYSA-N 0 3 256.349 2.872 20 30 CFEDHN COc1ccc([C@H](CCO)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185875706 381765096 /nfs/dbraw/zinc/76/50/96/381765096.db2.gz CCAMJGLZCQKWRL-QRTARXTBSA-N 0 3 288.391 2.791 20 30 CFEDHN C=CC[C@H](CC)NCc1cnnn1Cc1ccccc1 ZINC000291809898 381772892 /nfs/dbraw/zinc/77/28/92/381772892.db2.gz XZNAZBXCTXNKHI-HNNXBMFYSA-N 0 3 270.380 2.771 20 30 CFEDHN CCN(CCC1CC1)Cc1cnc2ccc(C#N)cn12 ZINC000355522184 381779460 /nfs/dbraw/zinc/77/94/60/381779460.db2.gz ZSHSJVPRWHZFDE-UHFFFAOYSA-N 0 3 268.364 2.828 20 30 CFEDHN C=CCOCCN1CCC(N(C)c2ccccc2)CC1 ZINC000292758784 381823645 /nfs/dbraw/zinc/82/36/45/381823645.db2.gz ISBRUYLKSOZWAL-UHFFFAOYSA-N 0 3 274.408 2.790 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H]2CCCC[C@@H]2C)C1=O ZINC000343595373 381823962 /nfs/dbraw/zinc/82/39/62/381823962.db2.gz ATACDVKORABCNB-ZNMIVQPWSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc(C#N)s1 ZINC000356225105 381832455 /nfs/dbraw/zinc/83/24/55/381832455.db2.gz RGMGUADOBGOUOF-GFCCVEGCSA-N 0 3 291.420 2.614 20 30 CFEDHN CCc1nccc([C@H]2CCCN(CCCCC#N)C2)n1 ZINC000372551117 381833345 /nfs/dbraw/zinc/83/33/45/381833345.db2.gz AIRLECKCHOSZTF-AWEZNQCLSA-N 0 3 272.396 2.912 20 30 CFEDHN C=CCOCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000292789756 381836640 /nfs/dbraw/zinc/83/66/40/381836640.db2.gz LKZFRRPDQCFWNV-INIZCTEOSA-N 0 3 291.391 2.576 20 30 CFEDHN C=CCOCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000292789756 381836646 /nfs/dbraw/zinc/83/66/46/381836646.db2.gz LKZFRRPDQCFWNV-INIZCTEOSA-N 0 3 291.391 2.576 20 30 CFEDHN C=C(C)COc1cc(CN(CC)[C@H](C)CO)ccc1OC ZINC000292789977 381837182 /nfs/dbraw/zinc/83/71/82/381837182.db2.gz MFDCKFUHXBTWSO-CQSZACIVSA-N 0 3 293.407 2.853 20 30 CFEDHN N#Cc1cc(N2CC[C@H](N3CC=CC3)C2)nc2ccccc12 ZINC000361118995 381803404 /nfs/dbraw/zinc/80/34/04/381803404.db2.gz YWPRIFMCSMRCCL-HNNXBMFYSA-N 0 3 290.370 2.557 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)cc1 ZINC000361151840 381804786 /nfs/dbraw/zinc/80/47/86/381804786.db2.gz HNHQMWGQDXJPHO-BRWVUGGUSA-N 0 3 291.391 2.533 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2ncccc2CC)CC1 ZINC000356870635 381875677 /nfs/dbraw/zinc/87/56/77/381875677.db2.gz OGKOBHYEJSLSDL-CQSZACIVSA-N 0 3 273.424 2.945 20 30 CFEDHN C[C@H](C#N)CN(C(=O)C[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000416179293 381880934 /nfs/dbraw/zinc/88/09/34/381880934.db2.gz MHBCDOMMNJYXBA-RHSMWYFYSA-N 0 3 299.418 2.830 20 30 CFEDHN CN(C)[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)c1ccccc1 ZINC000416170357 381881091 /nfs/dbraw/zinc/88/10/91/381881091.db2.gz JYGZNTQDNPRZMN-CABCVRRESA-N 0 3 287.407 2.734 20 30 CFEDHN C=CCN(CCOC)CCC(=O)Nc1cccc(F)c1C ZINC000362042614 381883418 /nfs/dbraw/zinc/88/34/18/381883418.db2.gz ZPKQVHXTIFZGQH-UHFFFAOYSA-N 0 3 294.370 2.597 20 30 CFEDHN C=CCCN(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416215844 381884097 /nfs/dbraw/zinc/88/40/97/381884097.db2.gz OZBZTCGNQMNGBS-OAHLLOKOSA-N 0 3 260.381 2.714 20 30 CFEDHN C=CC(C)(C)CNC(=O)CCN1CCc2ccccc2C1 ZINC000416247314 381884209 /nfs/dbraw/zinc/88/42/09/381884209.db2.gz OQWIWROVPDQHNV-UHFFFAOYSA-N 0 3 286.419 2.763 20 30 CFEDHN C[C@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000292890275 381887611 /nfs/dbraw/zinc/88/76/11/381887611.db2.gz UZMFRNSQFBCZQO-NSHDSACASA-N 0 3 252.745 2.921 20 30 CFEDHN C=CCOCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574700 381846256 /nfs/dbraw/zinc/84/62/56/381846256.db2.gz ZXLPDMGBHDHGGK-UHFFFAOYSA-N 0 3 273.376 2.832 20 30 CFEDHN C#CCN(CC)C[C@@H](O)COc1ccccc1C(C)C ZINC000299160335 381847910 /nfs/dbraw/zinc/84/79/10/381847910.db2.gz KYNPHUDMEIQWMR-OAHLLOKOSA-N 0 3 275.392 2.505 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000343623720 381850424 /nfs/dbraw/zinc/85/04/24/381850424.db2.gz PJZXGSHMIJCYLT-BBWFWOEESA-N 0 3 284.403 2.509 20 30 CFEDHN C=CCN(CCOC)CCc1cccc(F)c1F ZINC000362049509 381885907 /nfs/dbraw/zinc/88/59/07/381885907.db2.gz WLNOGGJUOAQJKX-UHFFFAOYSA-N 0 3 255.308 2.642 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccccc1 ZINC000361840555 381866015 /nfs/dbraw/zinc/86/60/15/381866015.db2.gz UZNHSUGKXCESQB-BFYDXBDKSA-N 0 3 257.377 2.519 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CC#Cc1ccccc1 ZINC000361840556 381866491 /nfs/dbraw/zinc/86/64/91/381866491.db2.gz UZNHSUGKXCESQB-HLLBOEOZSA-N 0 3 257.377 2.519 20 30 CFEDHN C=C(C)CCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415966959 381871244 /nfs/dbraw/zinc/87/12/44/381871244.db2.gz COOHJGUKHYWTHX-UHFFFAOYSA-N 0 3 277.343 2.559 20 30 CFEDHN CN1CCN(c2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000343659528 381874087 /nfs/dbraw/zinc/87/40/87/381874087.db2.gz AWDGFBQVSNJZHX-LJQANCHMSA-N 0 3 291.398 2.921 20 30 CFEDHN C#CCSCCNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186387789 381898416 /nfs/dbraw/zinc/89/84/16/381898416.db2.gz MJKHEPWJTXPTPN-UHFFFAOYSA-N 0 3 291.416 2.788 20 30 CFEDHN CC(C)OC[C@@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000299372667 381914736 /nfs/dbraw/zinc/91/47/36/381914736.db2.gz HAAAXDIATVOTMN-KRWDZBQOSA-N 0 3 290.407 2.555 20 30 CFEDHN N#Cc1cccc(CN2CCSC3(CCOCC3)C2)c1 ZINC000186484999 381924846 /nfs/dbraw/zinc/92/48/46/381924846.db2.gz OHISEMPUKWQOSA-UHFFFAOYSA-N 0 3 288.416 2.656 20 30 CFEDHN N#Cc1ccc(CN2CCSC3(CCOCC3)C2)cc1 ZINC000186497512 381928338 /nfs/dbraw/zinc/92/83/38/381928338.db2.gz JGARVEIQRMQFLA-UHFFFAOYSA-N 0 3 288.416 2.656 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H]2CCCCCN2)c1 ZINC000372908308 381888560 /nfs/dbraw/zinc/88/85/60/381888560.db2.gz TUWBMFQEFSPFLT-OAHLLOKOSA-N 0 3 274.364 2.722 20 30 CFEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1nccc(C#N)c1Cl ZINC000343812321 381957358 /nfs/dbraw/zinc/95/73/58/381957358.db2.gz VSXNRBMRCFMDHL-WCQYABFASA-N 0 3 290.798 2.670 20 30 CFEDHN C[C@@H]1CCC[C@@H](CN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000357011028 381963127 /nfs/dbraw/zinc/96/31/27/381963127.db2.gz XIKBBKSUIXQVDB-HZPDHXFCSA-N 0 3 298.434 2.902 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000343835393 381971244 /nfs/dbraw/zinc/97/12/44/381971244.db2.gz IQKJMVCQYSISMY-DZGCQCFKSA-N 0 3 279.428 2.609 20 30 CFEDHN N#Cc1ccc(CNCCc2cc(C(F)(F)F)ccn2)o1 ZINC000293026239 381954827 /nfs/dbraw/zinc/95/48/27/381954827.db2.gz RCOMGHJVBYECCY-UHFFFAOYSA-N 0 3 295.264 2.897 20 30 CFEDHN C=CCOCCN(Cc1cccc(O)c1)CC1CC1 ZINC000293126164 382000168 /nfs/dbraw/zinc/00/01/68/382000168.db2.gz PNEPQNBWZIQRKE-UHFFFAOYSA-N 0 3 261.365 2.807 20 30 CFEDHN COc1cccc([C@H](CNc2ccnc(C#N)c2)N(C)C)c1 ZINC000299608718 382001678 /nfs/dbraw/zinc/00/16/78/382001678.db2.gz GBUDVLXLJSVJTR-KRWDZBQOSA-N 0 3 296.374 2.677 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000362275680 381986796 /nfs/dbraw/zinc/98/67/96/381986796.db2.gz AAOUGAWLUSKWQA-RDJZCZTQSA-N 0 3 288.435 2.878 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000349805367 381990803 /nfs/dbraw/zinc/99/08/03/381990803.db2.gz VMKYSKWNXAVULH-OCCSQVGLSA-N 0 3 284.338 2.793 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1C(C)C ZINC000343908793 382015527 /nfs/dbraw/zinc/01/55/27/382015527.db2.gz OCCKYZQQMCZUGR-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCSc1ccccc1C(=O)NCCN(C)CC ZINC000362390119 382045043 /nfs/dbraw/zinc/04/50/43/382045043.db2.gz RUEZUYFGUIWNIL-UHFFFAOYSA-N 0 3 278.421 2.646 20 30 CFEDHN N#CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000374557569 382048391 /nfs/dbraw/zinc/04/83/91/382048391.db2.gz QVSSHQOCRYOFKV-RBUKOAKNSA-N 0 3 291.398 2.768 20 30 CFEDHN C=CCSc1ccccc1C(=O)NC[C@H](C)N(C)C ZINC000362403768 382053668 /nfs/dbraw/zinc/05/36/68/382053668.db2.gz QMJOACRFCIOCLE-LBPRGKRZSA-N 0 3 278.421 2.645 20 30 CFEDHN N#CCCCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374738590 382053816 /nfs/dbraw/zinc/05/38/16/382053816.db2.gz PQKVGSBHYZIXLW-CQSZACIVSA-N 0 3 254.337 2.587 20 30 CFEDHN COc1cccc([C@H]2[C@@H](NCCCC#N)CCN2C2CC2)c1 ZINC000374847297 382059876 /nfs/dbraw/zinc/05/98/76/382059876.db2.gz UOXCDABAWUGNLT-ROUUACIJSA-N 0 3 299.418 2.866 20 30 CFEDHN C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000351055123 382021389 /nfs/dbraw/zinc/02/13/89/382021389.db2.gz ICVCOEGPJHTPTC-BDJLRTHQSA-N 0 3 282.347 2.599 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C1CCN(CC)CC1 ZINC000343937183 382028713 /nfs/dbraw/zinc/02/87/13/382028713.db2.gz GRTABGGQLPDADN-UHFFFAOYSA-N 0 3 264.413 2.698 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000375767800 382102077 /nfs/dbraw/zinc/10/20/77/382102077.db2.gz JEXHBVYUOCAIJN-RHSMWYFYSA-N 0 3 291.439 2.840 20 30 CFEDHN N#CCCCCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375768978 382102445 /nfs/dbraw/zinc/10/24/45/382102445.db2.gz PDIQTUZKMKRSNK-HNNXBMFYSA-N 0 3 293.411 2.767 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@]12CCOC2 ZINC000357317243 382103800 /nfs/dbraw/zinc/10/38/00/382103800.db2.gz FRWPLCGADGCMHY-SJLPKXTDSA-N 0 3 298.386 2.540 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)CCSCC ZINC000362465404 382084731 /nfs/dbraw/zinc/08/47/31/382084731.db2.gz OYXQLLXMVXAKAI-AWEZNQCLSA-N 0 3 286.485 2.875 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)C(CC)CC ZINC000344035365 382084740 /nfs/dbraw/zinc/08/47/40/382084740.db2.gz RVTBRMWRSUVSJR-UHFFFAOYSA-N 0 3 254.418 2.922 20 30 CFEDHN C=CC[C@H](C(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375481845 382088435 /nfs/dbraw/zinc/08/84/35/382088435.db2.gz HDXOWAVSIZDTSO-KRWDZBQOSA-N 0 3 284.403 2.653 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@@H]1C1CC1 ZINC000375732340 382098643 /nfs/dbraw/zinc/09/86/43/382098643.db2.gz QHLLGCLDSCXXJK-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCOCCN(C)Cc1ccc(OC(F)F)cc1 ZINC000293562464 382175577 /nfs/dbraw/zinc/17/55/77/382175577.db2.gz SANWRWIHHDXHDI-UHFFFAOYSA-N 0 3 271.307 2.922 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@@H](N)c1ccccc1 ZINC000418217267 382129514 /nfs/dbraw/zinc/12/95/14/382129514.db2.gz OWCBGRHVFSDYMF-CQSZACIVSA-N 0 3 275.396 2.588 20 30 CFEDHN C=CCOCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000293485155 382141731 /nfs/dbraw/zinc/14/17/31/382141731.db2.gz MQARDMXWVNYBOH-OAHLLOKOSA-N 0 3 289.375 2.797 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344127885 382146966 /nfs/dbraw/zinc/14/69/66/382146966.db2.gz XADPDAWTSUAUAG-ZBFHGGJFSA-N 0 3 276.424 2.698 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(C#N)s1 ZINC000187294798 382147888 /nfs/dbraw/zinc/14/78/88/382147888.db2.gz WPKZWAMYULNKLF-WKSBVSIWSA-N 0 3 262.378 2.838 20 30 CFEDHN C=CCOCCN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000293505623 382148428 /nfs/dbraw/zinc/14/84/28/382148428.db2.gz HRJSBWUEHHTURR-INIZCTEOSA-N 0 3 275.392 2.683 20 30 CFEDHN C=CCOCCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000293531521 382160316 /nfs/dbraw/zinc/16/03/16/382160316.db2.gz JKMPCXUAHCWTDJ-CQSZACIVSA-N 0 3 269.772 2.556 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NCc1ccc(C#N)o1 ZINC000187567760 382212312 /nfs/dbraw/zinc/21/23/12/382212312.db2.gz IRGMCIMPCZDVHN-ZDUSSCGKSA-N 0 3 261.369 2.505 20 30 CFEDHN CN(CCN(C)C1CC1)c1ccc2cc(C#N)ccc2n1 ZINC000302291205 382237121 /nfs/dbraw/zinc/23/71/21/382237121.db2.gz WQUPLXNDDROURE-UHFFFAOYSA-N 0 3 280.375 2.637 20 30 CFEDHN CCN1CCc2c(cccc2NC(=O)C2(C#N)CCC2)C1 ZINC000362750398 382217773 /nfs/dbraw/zinc/21/77/73/382217773.db2.gz PSWUDTACAGNUNW-UHFFFAOYSA-N 0 3 283.375 2.697 20 30 CFEDHN N#Cc1cccc(C2(NCCOCC3CCC3)CC2)c1 ZINC000419231013 382253976 /nfs/dbraw/zinc/25/39/76/382253976.db2.gz QWQHIPBOAFIGSM-UHFFFAOYSA-N 0 3 270.376 2.954 20 30 CFEDHN C=C(C)C[NH+]1CCC(NCc2c(F)ccc([O-])c2F)CC1 ZINC000293744129 382260687 /nfs/dbraw/zinc/26/06/87/382260687.db2.gz XMBUQGNBEGMWDC-UHFFFAOYSA-N 0 3 296.361 2.801 20 30 CFEDHN CC(C)=CCC[C@@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419254492 382261777 /nfs/dbraw/zinc/26/17/77/382261777.db2.gz FRDZRTBNSITXJA-CJNGLKHVSA-N 0 3 285.391 2.809 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344718072 382274175 /nfs/dbraw/zinc/27/41/75/382274175.db2.gz DHWKZCORNVECJN-WMLDXEAASA-N 0 3 278.440 2.922 20 30 CFEDHN CC1(C)CCC[C@@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000419294907 382275646 /nfs/dbraw/zinc/27/56/46/382275646.db2.gz WJKGDCSIKUFWAD-GDBMZVCRSA-N 0 3 299.418 2.891 20 30 CFEDHN C=C(C)CCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000352402570 382310659 /nfs/dbraw/zinc/31/06/59/382310659.db2.gz OSMOQIIRWIXLMS-MNOVXSKESA-N 0 3 251.292 2.588 20 30 CFEDHN CC(C)[C@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345795532 382313710 /nfs/dbraw/zinc/31/37/10/382313710.db2.gz UXDYMAJVLRZUNL-HOCLYGCPSA-N 0 3 299.418 2.924 20 30 CFEDHN CCCC[C@@H](C)N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000352413663 382316875 /nfs/dbraw/zinc/31/68/75/382316875.db2.gz BGWLKPHZWVEZNA-UONOGXRCSA-N 0 3 267.417 2.505 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@@H](CC)c1ccccc1 ZINC000293939293 382344901 /nfs/dbraw/zinc/34/49/01/382344901.db2.gz ITLORRFRTHCAOC-MRXNPFEDSA-N 0 3 286.419 2.642 20 30 CFEDHN COCCN(Cc1ccc(F)cc1Cl)C(=O)C(C)C#N ZINC000345865702 382320232 /nfs/dbraw/zinc/32/02/32/382320232.db2.gz UEQZJHGRNBXLJH-SNVBAGLBSA-N 0 3 298.745 2.614 20 30 CFEDHN COc1ccc(C2(NC(=O)C(C)C#N)CCCC2)cc1 ZINC000357787344 382322261 /nfs/dbraw/zinc/32/22/61/382322261.db2.gz HCMYXNHYSGDBOY-LBPRGKRZSA-N 0 3 272.348 2.740 20 30 CFEDHN Cc1cccc([C@@H](NC(=O)C(C)C#N)c2ccccn2)c1 ZINC000345937059 382324300 /nfs/dbraw/zinc/32/43/00/382324300.db2.gz VGORXOYZTCBJOD-CZUORRHYSA-N 0 3 279.343 2.755 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1Cl ZINC000345993509 382326186 /nfs/dbraw/zinc/32/61/86/382326186.db2.gz NKCHHJUGLZGJHH-JTQLQIEISA-N 0 3 287.706 2.629 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000188020848 382326265 /nfs/dbraw/zinc/32/62/65/382326265.db2.gz IJKBFASZRWBRCL-OFQRWUPVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000352444416 382335285 /nfs/dbraw/zinc/33/52/85/382335285.db2.gz BYSZNZCVEVJTBS-QGZVFWFLSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000302869930 382338986 /nfs/dbraw/zinc/33/89/86/382338986.db2.gz BDHGBSAYGKCXMD-IUODEOHRSA-N 0 3 268.364 2.571 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000293953271 382351548 /nfs/dbraw/zinc/35/15/48/382351548.db2.gz KHOHSPATNKUAIC-ZDUSSCGKSA-N 0 3 292.810 2.515 20 30 CFEDHN C=CCC[C@H](NCc1n[nH]c(C)n1)c1ccccc1 ZINC000358040844 382423580 /nfs/dbraw/zinc/42/35/80/382423580.db2.gz BXYVRZZNZSWHNN-AWEZNQCLSA-N 0 3 256.353 2.910 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1cccs1 ZINC000346585794 382425611 /nfs/dbraw/zinc/42/56/11/382425611.db2.gz VTZPEVXLONFJGI-VXGBXAGGSA-N 0 3 291.420 2.740 20 30 CFEDHN Cn1ccnc1[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000365622300 382425919 /nfs/dbraw/zinc/42/59/19/382425919.db2.gz DZFADSPHYXJNAH-OAHLLOKOSA-N 0 3 298.365 2.810 20 30 CFEDHN Cn1ccnc1[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000365641003 382429085 /nfs/dbraw/zinc/42/90/85/382429085.db2.gz UCDUFRBDSZVULD-CQSZACIVSA-N 0 3 298.365 2.810 20 30 CFEDHN COc1cc(CN2CC[C@@H](SC)C2)ccc1C#N ZINC000294155303 382437923 /nfs/dbraw/zinc/43/79/23/382437923.db2.gz AHYBJHQHRXYXET-CYBMUJFWSA-N 0 3 262.378 2.504 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[C@H]1O ZINC000352661907 382439115 /nfs/dbraw/zinc/43/91/15/382439115.db2.gz VLBUHHCYOOZPHE-LSDHHAIUSA-N 0 3 297.320 2.902 20 30 CFEDHN OCCN(CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000305439336 382440570 /nfs/dbraw/zinc/44/05/70/382440570.db2.gz LESCKKXSUIAATJ-UHFFFAOYSA-N 0 3 275.367 2.804 20 30 CFEDHN C[C@H](NC[C@@H]1CCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305825876 382448610 /nfs/dbraw/zinc/44/86/10/382448610.db2.gz RAOPVUKRJXENCA-ITDIGPHOSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1O ZINC000305760463 382444815 /nfs/dbraw/zinc/44/48/15/382444815.db2.gz JYRGBHOVNWTAFY-XJKSGUPXSA-N 0 3 272.392 2.690 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@H]3CCCC[C@H]32)cc1 ZINC000365793357 382445102 /nfs/dbraw/zinc/44/51/02/382445102.db2.gz HVKXDMACMKVWFP-BRWVUGGUSA-N 0 3 293.370 2.642 20 30 CFEDHN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1O ZINC000305760461 382445124 /nfs/dbraw/zinc/44/51/24/382445124.db2.gz JYRGBHOVNWTAFY-CZUORRHYSA-N 0 3 272.392 2.690 20 30 CFEDHN CCc1ccc([C@H](CNc2cncc(C#N)n2)N(C)C)cc1 ZINC000420586052 382411788 /nfs/dbraw/zinc/41/17/88/382411788.db2.gz ODWXQKMFVSFDES-INIZCTEOSA-N 0 3 295.390 2.625 20 30 CFEDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)CC(C)(C)C#N ZINC000365993172 382470445 /nfs/dbraw/zinc/47/04/45/382470445.db2.gz ZRBXPWPKMVDULF-DOTOQJQBSA-N 0 3 299.418 2.660 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(CC)CC)CC1 ZINC000358148444 382470684 /nfs/dbraw/zinc/47/06/84/382470684.db2.gz BAWUVZIALXMNHF-UHFFFAOYSA-N 0 3 267.417 2.515 20 30 CFEDHN N#Cc1ccc(N2CCCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000365818189 382452488 /nfs/dbraw/zinc/45/24/88/382452488.db2.gz JDSOSMGNXFGOIH-GOSISDBHSA-N 0 3 297.402 2.763 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)CC2CCCC2)cc1F ZINC000421404111 382521651 /nfs/dbraw/zinc/52/16/51/382521651.db2.gz XMHBPNYGQLJRPQ-OAHLLOKOSA-N 0 3 290.382 2.976 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000294810149 382529395 /nfs/dbraw/zinc/52/93/95/382529395.db2.gz NRVSNEFUQSQVFI-KRWDZBQOSA-N 0 3 298.430 2.782 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H](O)C1 ZINC000420958434 382500750 /nfs/dbraw/zinc/50/07/50/382500750.db2.gz DSSPBQSYEXAADI-FZNQNYSPSA-N 0 3 277.412 2.613 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420962843 382502979 /nfs/dbraw/zinc/50/29/79/382502979.db2.gz LRPZHDBZUWWIFZ-ZBFHGGJFSA-N 0 3 291.439 2.507 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC(C3CC3)CC2)cc1 ZINC000366400493 382504938 /nfs/dbraw/zinc/50/49/38/382504938.db2.gz KXWINOXHSYGCNU-KRWDZBQOSA-N 0 3 270.376 2.714 20 30 CFEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000294318504 382508111 /nfs/dbraw/zinc/50/81/11/382508111.db2.gz XSUDAOUMHGIJPI-SNVBAGLBSA-N 0 3 299.201 2.784 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCC[C@@H](CO)C1 ZINC000312406114 382514351 /nfs/dbraw/zinc/51/43/51/382514351.db2.gz IJOWBCFHCZFRFA-GDBMZVCRSA-N 0 3 275.392 2.892 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](O)CC[C@H]2C)c1 ZINC000421381556 382515031 /nfs/dbraw/zinc/51/50/31/382515031.db2.gz XETWNIBFEPWONT-UKRRQHHQSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CC[C@H](C(=O)NCCN(CC)C1CC1)c1ccccc1 ZINC000189098979 382542142 /nfs/dbraw/zinc/54/21/42/382542142.db2.gz QYJDSQRSJGCCLD-KRWDZBQOSA-N 0 3 286.419 2.947 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)cc1F ZINC000346866305 382551481 /nfs/dbraw/zinc/55/14/81/382551481.db2.gz BAVJROWAHHAOIA-CUOATXAZSA-N 0 3 262.328 2.507 20 30 CFEDHN C[C@H](CCCCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346883004 382558367 /nfs/dbraw/zinc/55/83/67/382558367.db2.gz QBFGPJUNAXAXPL-NEPJUHHUSA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@H](CCCCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000346884046 382559258 /nfs/dbraw/zinc/55/92/58/382559258.db2.gz QBFGPJUNAXAXPL-VXGBXAGGSA-N 0 3 264.344 2.899 20 30 CFEDHN Cc1nsc(N[C@H]2CCN(C3CCCC3)C2)c1C#N ZINC000367286427 382563075 /nfs/dbraw/zinc/56/30/75/382563075.db2.gz KRZBXPFQWQYMPH-NSHDSACASA-N 0 3 276.409 2.752 20 30 CFEDHN CC(C)[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346896476 382563494 /nfs/dbraw/zinc/56/34/94/382563494.db2.gz YCAHBUPVHNBFOP-INIZCTEOSA-N 0 3 285.391 2.536 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068572 382535531 /nfs/dbraw/zinc/53/55/31/382535531.db2.gz ZQUAKBNNNAYLTI-YOEHRIQHSA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000320199650 382536440 /nfs/dbraw/zinc/53/64/40/382536440.db2.gz CMNNTIAMKGEHIZ-CQSZACIVSA-N 0 3 281.783 2.692 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)c(OC)c1 ZINC000320311138 382537451 /nfs/dbraw/zinc/53/74/51/382537451.db2.gz VFUOQMMRMKHUTG-DGCLKSJQSA-N 0 3 267.344 2.812 20 30 CFEDHN C[C@@H](CNCc1nc(C#N)cs1)CC(F)(F)F ZINC000396937332 382632563 /nfs/dbraw/zinc/63/25/63/382632563.db2.gz ACARSQBFDNJGEV-SSDOTTSWSA-N 0 3 263.288 2.693 20 30 CFEDHN C[C@@H]1CCCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000358403433 382601975 /nfs/dbraw/zinc/60/19/75/382601975.db2.gz VSPNSJZHTRAVIB-OAHLLOKOSA-N 0 3 291.439 2.936 20 30 CFEDHN CC1(C)C[C@H](O)CCN(Cc2ccc(C#N)s2)C1 ZINC000295284711 382607417 /nfs/dbraw/zinc/60/74/17/382607417.db2.gz TYFOKXDDTPLDKP-LLVKDONJSA-N 0 3 264.394 2.603 20 30 CFEDHN CC(C)OCCCN(C)Cc1cc(C#N)cs1 ZINC000353712478 382614541 /nfs/dbraw/zinc/61/45/41/382614541.db2.gz JPYFHMPSCAYVHJ-UHFFFAOYSA-N 0 3 252.383 2.867 20 30 CFEDHN COc1ccc([C@@H](C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000189589670 382627976 /nfs/dbraw/zinc/62/79/76/382627976.db2.gz UUULQHUOZCCYPW-GFCCVEGCSA-N 0 3 299.374 2.765 20 30 CFEDHN C[C@@](O)(CCNCc1cccc(C#N)c1)c1ccccc1 ZINC000189843914 382642559 /nfs/dbraw/zinc/64/25/59/382642559.db2.gz HGKSKPNRLWQFFL-GOSISDBHSA-N 0 3 280.371 2.946 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCN(C)C1CC1 ZINC000190037011 382651227 /nfs/dbraw/zinc/65/12/27/382651227.db2.gz YREBGTJGEJRBRE-ZDUSSCGKSA-N 0 3 257.381 2.645 20 30 CFEDHN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1CO ZINC000190388359 382665636 /nfs/dbraw/zinc/66/56/36/382665636.db2.gz PLWHCMJBSWTSKH-SWLSCSKDSA-N 0 3 297.320 2.760 20 30 CFEDHN CCN(CCNCc1cc(C#N)n(C)c1)c1ccccc1C ZINC000190772612 382680220 /nfs/dbraw/zinc/68/02/20/382680220.db2.gz QHGFOLGAHYWTPL-UHFFFAOYSA-N 0 3 296.418 2.821 20 30 CFEDHN C[C@@H](COCc1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191227790 382696434 /nfs/dbraw/zinc/69/64/34/382696434.db2.gz LWPXQMRKVCPJBY-AWEZNQCLSA-N 0 3 283.375 2.592 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(-n2ccnc2)cc1 ZINC000191760525 382702310 /nfs/dbraw/zinc/70/23/10/382702310.db2.gz VHIJAOWAFFUBNN-UHFFFAOYSA-N 0 3 271.364 2.507 20 30 CFEDHN C[C@@](CO)(NCC#Cc1ccccc1)C1CCCCC1 ZINC000192037108 382704341 /nfs/dbraw/zinc/70/43/41/382704341.db2.gz HWNZLVXTYCJEFZ-SFHVURJKSA-N 0 3 271.404 2.959 20 30 CFEDHN CN(C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192604007 382710419 /nfs/dbraw/zinc/71/04/19/382710419.db2.gz GXOGPLXUSIGDQF-INIZCTEOSA-N 0 3 283.375 2.538 20 30 CFEDHN C=CCNC(=O)CNCC(c1ccccc1)c1ccccc1 ZINC000194018919 382733309 /nfs/dbraw/zinc/73/33/09/382733309.db2.gz BGBISLHTJMKFIU-UHFFFAOYSA-N 0 3 294.398 2.710 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000337123745 382763435 /nfs/dbraw/zinc/76/34/35/382763435.db2.gz CDSSPJCBIWCABQ-IAGOWNOFSA-N 0 3 284.403 2.919 20 30 CFEDHN C=CCN1CC[C@@H](N(Cc2ccccc2)CC(C)C)C1=O ZINC000337125763 382764107 /nfs/dbraw/zinc/76/41/07/382764107.db2.gz FKBHUZHZUWWTTP-QGZVFWFLSA-N 0 3 286.419 2.932 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCC2CCCCC2)C1=O ZINC000337125775 382764270 /nfs/dbraw/zinc/76/42/70/382764270.db2.gz FKRIOHBLPLPWMD-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3)[C@H](C)C2)C1=O ZINC000337188581 382773520 /nfs/dbraw/zinc/77/35/20/382773520.db2.gz QJUPKAKWRZTQAD-NXHRZFHOSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C2CCC(C)(C)CC2)C1=O ZINC000337191416 382773993 /nfs/dbraw/zinc/77/39/93/382773993.db2.gz SMZKKLAJDFBMOJ-CQSZACIVSA-N 0 3 264.413 2.674 20 30 CFEDHN CN(Cc1ccc(C#N)cn1)C1CCC(F)(F)CC1 ZINC000577122776 382848788 /nfs/dbraw/zinc/84/87/88/382848788.db2.gz XEUHCYOQPRWIBC-UHFFFAOYSA-N 0 3 265.307 2.963 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CC1(C)C)C(C)C ZINC000337375497 382811715 /nfs/dbraw/zinc/81/17/15/382811715.db2.gz GLGUKEUBZZROLY-CABCVRRESA-N 0 3 278.440 2.847 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)CC)C(C)C ZINC000337434272 382820584 /nfs/dbraw/zinc/82/05/84/382820584.db2.gz HNKQMCLYLCKDEF-GJZGRUSLSA-N 0 3 281.444 2.783 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337460086 382824558 /nfs/dbraw/zinc/82/45/58/382824558.db2.gz KBKILJPEFHZSHY-GXTWGEPZSA-N 0 3 263.385 2.586 20 30 CFEDHN CN(CCNCc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000227760770 382840858 /nfs/dbraw/zinc/84/08/58/382840858.db2.gz YKWOAXDKLDRAKH-UHFFFAOYSA-N 0 3 289.379 2.515 20 30 CFEDHN C=CC[C@@H]1N(C(=O)CN(CC)CC)CCCC1(C)C ZINC000337572484 382843664 /nfs/dbraw/zinc/84/36/64/382843664.db2.gz TYXZSTLNXPPECY-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@@H](c3ccncc3)C2)c1 ZINC000577053136 382845834 /nfs/dbraw/zinc/84/58/34/382845834.db2.gz PAXVBVUCXZNJQP-QGZVFWFLSA-N 0 3 293.370 2.822 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2nccn2C)C1 ZINC000578263648 382905116 /nfs/dbraw/zinc/90/51/16/382905116.db2.gz OQEMKDQYCKDVIP-CZUORRHYSA-N 0 3 280.375 2.842 20 30 CFEDHN C=CCCOCCNCc1ccc(OC)c(OCC)c1 ZINC000229880662 382854093 /nfs/dbraw/zinc/85/40/93/382854093.db2.gz HVEPJYFGAZOSTC-UHFFFAOYSA-N 0 3 279.380 2.776 20 30 CFEDHN C#CCCN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000494064011 382909574 /nfs/dbraw/zinc/90/95/74/382909574.db2.gz CWSAVCPUUWQOER-KGLIPLIRSA-N 0 3 280.412 2.777 20 30 CFEDHN C#CCCN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000494064013 382909637 /nfs/dbraw/zinc/90/96/37/382909637.db2.gz CWSAVCPUUWQOER-ZIAGYGMSSA-N 0 3 280.412 2.777 20 30 CFEDHN N#Cc1cccc(CN[C@@H](CO)CC2CCCC2)c1 ZINC000337838771 382870892 /nfs/dbraw/zinc/87/08/92/382870892.db2.gz YNKVMDHHHHJABA-MRXNPFEDSA-N 0 3 258.365 2.589 20 30 CFEDHN CCOC[C@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000233778229 382872204 /nfs/dbraw/zinc/87/22/04/382872204.db2.gz HYIJBHSVYBIVDZ-HNNXBMFYSA-N 0 3 264.344 2.848 20 30 CFEDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000577876102 382873934 /nfs/dbraw/zinc/87/39/34/382873934.db2.gz LZUBHDPMFXJZBW-XHDPSFHLSA-N 0 3 264.344 2.584 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000494411780 382912691 /nfs/dbraw/zinc/91/26/91/382912691.db2.gz ONZABKMLJCZIBE-BZUAXINKSA-N 0 3 293.455 2.857 20 30 CFEDHN Cn1cc([C@H](N[C@@H]2CC[C@@H](C#N)C2)C(C)(C)C)cn1 ZINC000442882931 382963785 /nfs/dbraw/zinc/96/37/85/382963785.db2.gz SVMKHWRWRKBHIM-BNOWGMLFSA-N 0 3 260.385 2.789 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000338163018 382938419 /nfs/dbraw/zinc/93/84/19/382938419.db2.gz VCLMMMWDQRKXAJ-KGLIPLIRSA-N 0 3 299.418 2.717 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000338162517 382938500 /nfs/dbraw/zinc/93/85/00/382938500.db2.gz RFSWAECTRKQXGF-AWEZNQCLSA-N 0 3 299.418 2.717 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000442709992 382947282 /nfs/dbraw/zinc/94/72/82/382947282.db2.gz BRKZAXNZSYOYKZ-PBHICJAKSA-N 0 3 297.402 2.591 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(F)cc2F)C1 ZINC000442780728 382955405 /nfs/dbraw/zinc/95/54/05/382955405.db2.gz LFPCSEBTTXIQCN-ZYHUDNBSSA-N 0 3 266.291 2.625 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cccc(-n3ccnc3)c2)C1 ZINC000442785309 382956907 /nfs/dbraw/zinc/95/69/07/382956907.db2.gz VGDZXEHZUUJSBX-ZFWWWQNUSA-N 0 3 266.348 2.654 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442827832 382959849 /nfs/dbraw/zinc/95/98/49/382959849.db2.gz ORVFVCKGPBBVSE-BMFZPTHFSA-N 0 3 258.365 2.564 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCCc2nnc(-c3ccccc3)o2)C1 ZINC000442851372 382961545 /nfs/dbraw/zinc/96/15/45/382961545.db2.gz QUNAMZXFQGLPNB-OCCSQVGLSA-N 0 3 282.347 2.561 20 30 CFEDHN CN1CCN(Cc2cccc(N[C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442874415 382962122 /nfs/dbraw/zinc/96/21/22/382962122.db2.gz NBLXXDHDUQIXPC-YJBOKZPZSA-N 0 3 298.434 2.538 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc(C#N)c1C ZINC000338120192 382926058 /nfs/dbraw/zinc/92/60/58/382926058.db2.gz LWLORMBISSJQQT-MRXNPFEDSA-N 0 3 299.418 2.861 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000338152769 382935698 /nfs/dbraw/zinc/93/56/98/382935698.db2.gz MJNRMQOZHNUGIK-HNNXBMFYSA-N 0 3 287.407 2.573 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000543748338 382972681 /nfs/dbraw/zinc/97/26/81/382972681.db2.gz GVAQVCKTCLWIRO-ZBFHGGJFSA-N 0 3 275.392 2.844 20 30 CFEDHN N#CCC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000543780307 382973874 /nfs/dbraw/zinc/97/38/74/382973874.db2.gz MIHKVHIXYLSXTB-UHFFFAOYSA-N 0 3 256.349 2.747 20 30 CFEDHN C=CCCc1nc(-c2ccc(OCCN(C)C)cc2)no1 ZINC000544982030 382975916 /nfs/dbraw/zinc/97/59/16/382975916.db2.gz GVWJXIITSUPDSY-UHFFFAOYSA-N 0 3 287.363 2.796 20 30 CFEDHN C=CCCCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444736527 382979121 /nfs/dbraw/zinc/97/91/21/382979121.db2.gz WHHMBLRSXAJDPT-QWRGUYRKSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccc(F)c(C)c1 ZINC000444742568 382979668 /nfs/dbraw/zinc/97/96/68/382979668.db2.gz JHTOXUMGNDFUCN-CQSZACIVSA-N 0 3 251.345 2.893 20 30 CFEDHN CCC[C@]1(C(=O)OCC)CCCN1CCCCC#N ZINC000444775710 382981160 /nfs/dbraw/zinc/98/11/60/382981160.db2.gz AAUQNDAUJFHIIF-OAHLLOKOSA-N 0 3 266.385 2.878 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NC(C)C)CCCC1(C)C ZINC000444788035 382982092 /nfs/dbraw/zinc/98/20/92/382982092.db2.gz ZTYRFVPOGLBOQE-ZDUSSCGKSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCCC(C)(C)C1 ZINC000446080416 382987371 /nfs/dbraw/zinc/98/73/71/382987371.db2.gz SJWKFJALECMXCF-UHFFFAOYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C(C)C)C1 ZINC000446735641 382991697 /nfs/dbraw/zinc/99/16/97/382991697.db2.gz PLOCRETWVQDTDF-CABCVRRESA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@H](C(=O)Nc1ccc(CC#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000245200849 382996292 /nfs/dbraw/zinc/99/62/92/382996292.db2.gz DGSWMEVMJNRPNI-MGPQQGTHSA-N 0 3 285.391 2.952 20 30 CFEDHN C=CCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000447354471 382996311 /nfs/dbraw/zinc/99/63/11/382996311.db2.gz KUFFHUFTTYKNPO-UHFFFAOYSA-N 0 3 265.328 2.616 20 30 CFEDHN C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@H](C)N1C ZINC000549214602 383002741 /nfs/dbraw/zinc/00/27/41/383002741.db2.gz LPLBXJBOEOXDKW-BETUJISGSA-N 0 3 280.375 2.635 20 30 CFEDHN C[C@@H](NCCC(=O)N1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000338363109 383004418 /nfs/dbraw/zinc/00/44/18/383004418.db2.gz RLAPXGZTMIPDIK-UONOGXRCSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1[C@@H]1CC[C@@H](C#N)C1 ZINC000495729293 383018177 /nfs/dbraw/zinc/01/81/77/383018177.db2.gz OBCALACWLQUBDD-DGAVXFQQSA-N 0 3 293.411 2.666 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCC(CC#N)CC2)c1 ZINC000542910041 382970634 /nfs/dbraw/zinc/97/06/34/382970634.db2.gz YEFQETUNOBJLPP-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC000338725548 383029904 /nfs/dbraw/zinc/02/99/04/383029904.db2.gz SUIBTUIYTOWEPK-DZGCQCFKSA-N 0 3 293.374 2.596 20 30 CFEDHN N#CCCCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000495818841 383031745 /nfs/dbraw/zinc/03/17/45/383031745.db2.gz SRJKTUQBYFCBPQ-HNNXBMFYSA-N 0 3 293.411 2.813 20 30 CFEDHN CCCNC(=O)OC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000495834047 383032966 /nfs/dbraw/zinc/03/29/66/383032966.db2.gz ACPSEHRSPMATHM-AWEZNQCLSA-N 0 3 295.427 2.917 20 30 CFEDHN CC#CCN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495853846 383034885 /nfs/dbraw/zinc/03/48/85/383034885.db2.gz BUSAWPOAMCMLLI-ZDUSSCGKSA-N 0 3 272.348 2.659 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000447971432 383035405 /nfs/dbraw/zinc/03/54/05/383035405.db2.gz KOWDUZUFGKFITJ-MRXNPFEDSA-N 0 3 289.423 2.863 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448032338 383041516 /nfs/dbraw/zinc/04/15/16/383041516.db2.gz VDTJLARGNBIEFM-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCCCN1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000579555324 383027626 /nfs/dbraw/zinc/02/76/26/383027626.db2.gz USDAIDSOOHNSOF-CYBMUJFWSA-N 0 3 278.400 2.671 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)C(C)C ZINC000448973654 383119994 /nfs/dbraw/zinc/11/99/94/383119994.db2.gz DHAKDPIBJNBBLG-OAGGEKHMSA-N 0 3 278.440 2.847 20 30 CFEDHN N#CCCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000593968968 383124268 /nfs/dbraw/zinc/12/42/68/383124268.db2.gz QHYPLCUEHNCUOG-UHFFFAOYSA-N 0 3 291.439 2.795 20 30 CFEDHN C=CCCN1CCCC[C@@H]1COC(=O)NCCC ZINC000496757000 383124488 /nfs/dbraw/zinc/12/44/88/383124488.db2.gz UNKDWMUBPXFMJJ-CYBMUJFWSA-N 0 3 254.374 2.553 20 30 CFEDHN C=CCCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496905832 383127567 /nfs/dbraw/zinc/12/75/67/383127567.db2.gz ZBOAWGDDJLJTOA-ZIAGYGMSSA-N 0 3 280.412 2.894 20 30 CFEDHN C[C@@H](NC(=O)CN(C)CC(C)(C)C)c1ccc(C#N)cc1 ZINC000608886383 383133383 /nfs/dbraw/zinc/13/33/83/383133383.db2.gz FOMAPFRBSMHSBC-CYBMUJFWSA-N 0 3 287.407 2.713 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCCC2)CCCCC1 ZINC000448603552 383084126 /nfs/dbraw/zinc/08/41/26/383084126.db2.gz FNLSCSALALNAII-UHFFFAOYSA-N 0 3 264.413 2.725 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000246610226 383086551 /nfs/dbraw/zinc/08/65/51/383086551.db2.gz JJROGIDBKSSNMA-HOTGVXAUSA-N 0 3 256.349 2.559 20 30 CFEDHN C=CCCCCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000583303601 383089255 /nfs/dbraw/zinc/08/92/55/383089255.db2.gz JVWFUTXELBXXOA-MELADBBJSA-N 0 3 251.370 2.616 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000448700863 383096654 /nfs/dbraw/zinc/09/66/54/383096654.db2.gz YMMMBSUYMDNVOL-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN Cc1cc(NC[C@H]2CCCCN2C2CC2)cc(C#N)n1 ZINC000553230795 383102777 /nfs/dbraw/zinc/10/27/77/383102777.db2.gz BETCNJKUJNFVKG-MRXNPFEDSA-N 0 3 270.380 2.691 20 30 CFEDHN CC#CCCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496479447 383106617 /nfs/dbraw/zinc/10/66/17/383106617.db2.gz KCVIEYKORSFWET-UHFFFAOYSA-N 0 3 280.412 2.779 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000448921605 383107493 /nfs/dbraw/zinc/10/74/93/383107493.db2.gz NZZNKWJDRKEOIV-ZDUSSCGKSA-N 0 3 286.366 2.579 20 30 CFEDHN CC[C@H](CC#N)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496517211 383111052 /nfs/dbraw/zinc/11/10/52/383111052.db2.gz YFTRHFFRKQTFFP-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000246849074 383112289 /nfs/dbraw/zinc/11/22/89/383112289.db2.gz VNJBFYITKPWEEQ-HUUCEWRRSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000247409870 383170966 /nfs/dbraw/zinc/17/09/66/383170966.db2.gz QBHFPSUJCCAZFG-OFQRWUPVSA-N 0 3 293.455 2.761 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)CC12CCCCC2 ZINC000564584284 383171239 /nfs/dbraw/zinc/17/12/39/383171239.db2.gz JJPYKVQVOKGTOC-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@](C)(c2ccccc2)C1 ZINC000247479488 383177433 /nfs/dbraw/zinc/17/74/33/383177433.db2.gz SNKZHHDRDBLQEL-YJBOKZPZSA-N 0 3 286.419 2.731 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)C1 ZINC000339200857 383183357 /nfs/dbraw/zinc/18/33/57/383183357.db2.gz JJOABUAZZJJCKA-QPSCCSFWSA-N 0 3 260.381 2.712 20 30 CFEDHN CN(CCOCCC#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000339207067 383183814 /nfs/dbraw/zinc/18/38/14/383183814.db2.gz BEUQYYHGQXKPOI-NEPJUHHUSA-N 0 3 278.318 2.970 20 30 CFEDHN CN1CC[C@@H](CNCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566112938 383184135 /nfs/dbraw/zinc/18/41/35/383184135.db2.gz AGPKMXVPKDQDQL-SWLSCSKDSA-N 0 3 295.789 2.975 20 30 CFEDHN N#CCCC1CCN(Cc2cnn3ccccc23)CC1 ZINC000566247917 383185386 /nfs/dbraw/zinc/18/53/86/383185386.db2.gz AZVYNYBVCNHIOI-UHFFFAOYSA-N 0 3 268.364 2.850 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC(C)(C)C ZINC000339252232 383186174 /nfs/dbraw/zinc/18/61/74/383186174.db2.gz DINUIKLUZSFWCK-ZDUSSCGKSA-N 0 3 254.418 2.777 20 30 CFEDHN CC[C@H](CSC)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000518442126 383197501 /nfs/dbraw/zinc/19/75/01/383197501.db2.gz TVHQOMDECYIGES-CYBMUJFWSA-N 0 3 288.420 2.779 20 30 CFEDHN C=CCCCCN1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000556266783 383150963 /nfs/dbraw/zinc/15/09/63/383150963.db2.gz DRFVLCIKGZPKNZ-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN Cc1cc(NC(=O)c2ccc(C#N)[nH]2)ccc1CN(C)C ZINC000458289431 383153832 /nfs/dbraw/zinc/15/38/32/383153832.db2.gz QXUDUEDJEOXOPD-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)Cc1ncccc1O ZINC000561946787 383156016 /nfs/dbraw/zinc/15/60/16/383156016.db2.gz LKNRKRLFRNGZBA-UHFFFAOYSA-N 0 3 284.359 2.984 20 30 CFEDHN C=CCCCCN1CCC(Oc2cnccn2)CC1 ZINC000562699089 383162016 /nfs/dbraw/zinc/16/20/16/383162016.db2.gz IBDZYHSEJKVCGN-UHFFFAOYSA-N 0 3 261.369 2.676 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000563026828 383164841 /nfs/dbraw/zinc/16/48/41/383164841.db2.gz KHOAFYYWVTXYEU-LTIDMASMSA-N 0 3 293.370 2.545 20 30 CFEDHN CC(C)[C@H](NC[C@H](C#N)CCC#N)C1(CO)CCCC1 ZINC000563138020 383165661 /nfs/dbraw/zinc/16/56/61/383165661.db2.gz MJKJOHNNKOESAC-GJZGRUSLSA-N 0 3 277.412 2.597 20 30 CFEDHN Cn1cc(CN[C@@H]2CCC[C@H]2F)c(-c2ccc(C#N)cc2)n1 ZINC000339584531 383253518 /nfs/dbraw/zinc/25/35/18/383253518.db2.gz NFPXSZJXDWQWJX-HZPDHXFCSA-N 0 3 298.365 2.939 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000520692038 383269101 /nfs/dbraw/zinc/26/91/01/383269101.db2.gz MFLIXGVGAQIYCM-ZBFHGGJFSA-N 0 3 293.455 2.905 20 30 CFEDHN CCC1CN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000520735963 383270731 /nfs/dbraw/zinc/27/07/31/383270731.db2.gz LDEAYXGNWSLDHD-UHFFFAOYSA-N 0 3 295.390 2.701 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248633833 383276179 /nfs/dbraw/zinc/27/61/79/383276179.db2.gz SJZXWRJOGLKELZ-SJLPKXTDSA-N 0 3 298.430 2.817 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CC12CC2 ZINC000567453216 383276504 /nfs/dbraw/zinc/27/65/04/383276504.db2.gz WMWCNXMGZYEVNQ-HUUCEWRRSA-N 0 3 268.360 2.675 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000424841734 383276782 /nfs/dbraw/zinc/27/67/82/383276782.db2.gz APCUWCWEWFFRMG-ZDUSSCGKSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000424847460 383278225 /nfs/dbraw/zinc/27/82/25/383278225.db2.gz NIWTXAHCSPMIOU-RRFJBIMHSA-N 0 3 278.440 2.777 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NCc1ccc(C#N)cc1F ZINC000566927022 383227088 /nfs/dbraw/zinc/22/70/88/383227088.db2.gz SIMCBYQFJMVPJQ-CQSZACIVSA-N 0 3 289.398 2.907 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000566980875 383232206 /nfs/dbraw/zinc/23/22/06/383232206.db2.gz BZVCAYHPVTZREV-CJNGLKHVSA-N 0 3 272.392 2.592 20 30 CFEDHN CC(C)Oc1cccc(CN(C)C(=O)C(C)C#N)c1 ZINC000339528568 383233683 /nfs/dbraw/zinc/23/36/83/383233683.db2.gz XNVRCOCNPARSES-GFCCVEGCSA-N 0 3 260.337 2.592 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1[C@H](C)C[C@@H]1C ZINC000519797819 383234720 /nfs/dbraw/zinc/23/47/20/383234720.db2.gz JKWXZIAPYHJBOA-IJEWVQPXSA-N 0 3 275.392 2.638 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339670340 383280650 /nfs/dbraw/zinc/28/06/50/383280650.db2.gz BGOCOSAIHKRZHP-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)c(C)c1 ZINC000449512941 383348852 /nfs/dbraw/zinc/34/88/52/383348852.db2.gz QRGXOSVWRXBHFG-CVEARBPZSA-N 0 3 286.375 2.688 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000449498409 383335681 /nfs/dbraw/zinc/33/56/81/383335681.db2.gz LHLKCTVEGXUQGI-BBRMVZONSA-N 0 3 288.391 2.814 20 30 CFEDHN Cc1cc(N2CCN(CCC(C)(C)C)CC2)c(C#N)cn1 ZINC000425218966 383341965 /nfs/dbraw/zinc/34/19/65/383341965.db2.gz ZVODQOJAYXGDCF-UHFFFAOYSA-N 0 3 286.423 2.820 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000466780243 383344033 /nfs/dbraw/zinc/34/40/33/383344033.db2.gz TYUWQPOTAKDUPO-HOCLYGCPSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339676482 383284339 /nfs/dbraw/zinc/28/43/39/383284339.db2.gz UMUFALCCUTVGCA-KMFMINBZSA-N 0 3 291.439 2.551 20 30 CFEDHN C=CCCCCCN1CCS[C@H]2COCC[C@H]21 ZINC000248823852 383294238 /nfs/dbraw/zinc/29/42/38/383294238.db2.gz YZLXSDOABHHNBE-KGLIPLIRSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248832727 383295891 /nfs/dbraw/zinc/29/58/91/383295891.db2.gz MSLFWOBWZNMGAU-DOTOQJQBSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCC(C)(C)CNCCS(=O)(=O)c1ccccc1 ZINC000567696688 383304044 /nfs/dbraw/zinc/30/40/44/383304044.db2.gz FTSDQKYWQVETQU-UHFFFAOYSA-N 0 3 281.421 2.652 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC(CC(F)F)C1 ZINC000425072486 383319122 /nfs/dbraw/zinc/31/91/22/383319122.db2.gz COWCEIJWQVYVIZ-CQSZACIVSA-N 0 3 292.329 2.873 20 30 CFEDHN C=CCN1CCC(Nc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450314740 383389829 /nfs/dbraw/zinc/38/98/29/383389829.db2.gz CSBSJNYRBHEHLQ-UHFFFAOYSA-N 0 3 286.335 2.529 20 30 CFEDHN CO[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[C@H]1C ZINC000251615633 383391656 /nfs/dbraw/zinc/39/16/56/383391656.db2.gz GIQVTILMSNIAHM-XJKCOSOUSA-N 0 3 258.365 2.976 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000427695924 383415812 /nfs/dbraw/zinc/41/58/12/383415812.db2.gz MUOBTTLJDOATBD-ZMSDIMECSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@](O)(C2CC2)C1 ZINC000426505710 383402607 /nfs/dbraw/zinc/40/26/07/383402607.db2.gz YWGKCYXWFHYECC-QGZVFWFLSA-N 0 3 273.376 2.598 20 30 CFEDHN N#Cc1ccc(CN[C@H]([C@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449515164 383351020 /nfs/dbraw/zinc/35/10/20/383351020.db2.gz ZOASOSXPLNXCQW-WBVHZDCISA-N 0 3 288.366 2.584 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2nc(C)ccc2c1 ZINC000449517881 383351636 /nfs/dbraw/zinc/35/16/36/383351636.db2.gz HOZGPKZGAHJYSW-SJORKVTESA-N 0 3 268.360 2.976 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(Br)c1 ZINC000449517697 383351702 /nfs/dbraw/zinc/35/17/02/383351702.db2.gz GWDHAGJADAMJRZ-OLZOCXBDSA-N 0 3 282.181 2.882 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2c(cccc2F)[nH]1 ZINC000449519480 383353029 /nfs/dbraw/zinc/35/30/29/383353029.db2.gz MWKUBGRJKIBTPQ-CABCVRRESA-N 0 3 260.312 2.740 20 30 CFEDHN C[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000249738610 383359048 /nfs/dbraw/zinc/35/90/48/383359048.db2.gz HKYTZDFVYQITEJ-RBSFLKMASA-N 0 3 299.418 2.778 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CCCC1 ZINC000450106539 383381986 /nfs/dbraw/zinc/38/19/86/383381986.db2.gz OJNBJGCLXNZDBL-ZFWWWQNUSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]1CC)C(C)C ZINC000487829596 383482156 /nfs/dbraw/zinc/48/21/56/383482156.db2.gz DEYSTXTZPDZIPJ-HZPDHXFCSA-N 0 3 293.455 2.879 20 30 CFEDHN CC(C)(C)[C@H](CCO)NCc1cccc(F)c1C#N ZINC000428354009 383456594 /nfs/dbraw/zinc/45/65/94/383456594.db2.gz XQLDILUFYWJNGW-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CCN(CC(=O)NCC1CC1)CC1CCCCC1 ZINC000484519878 383456899 /nfs/dbraw/zinc/45/68/99/383456899.db2.gz ZRALDSFQBNDOCH-UHFFFAOYSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@](O)(CC)C2)cc1 ZINC000428447474 383475227 /nfs/dbraw/zinc/47/52/27/383475227.db2.gz MTEKLQCZJADMKK-MRXNPFEDSA-N 0 3 261.365 2.598 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1cc(Br)cs1 ZINC000289952041 197539366 /nfs/dbraw/zinc/53/93/66/197539366.db2.gz WLNPLJHLVUOIAW-APPZFPTMSA-N 0 3 276.199 2.708 20 30 CFEDHN C[C@@H]1C[C@@H](C)N1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000525996800 383418872 /nfs/dbraw/zinc/41/88/72/383418872.db2.gz JWIZVFUYZZGZJD-ZIAGYGMSSA-N 0 3 295.390 2.841 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)[C@H](CC)N(CC)CC ZINC000428036913 383420161 /nfs/dbraw/zinc/42/01/61/383420161.db2.gz RYYUOYURKSHRQO-KBPBESRZSA-N 0 3 252.402 2.674 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@@H](CC)N(CC)CC ZINC000428036916 383420405 /nfs/dbraw/zinc/42/04/05/383420405.db2.gz RYYUOYURKSHRQO-ZIAGYGMSSA-N 0 3 252.402 2.674 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C)(OCC)CC1 ZINC000428721953 383498620 /nfs/dbraw/zinc/49/86/20/383498620.db2.gz OJPDCTHBSRCIDE-OAHLLOKOSA-N 0 3 296.455 2.691 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488129510 383499118 /nfs/dbraw/zinc/49/91/18/383499118.db2.gz CBPGEZUPCHVFQC-UHFFFAOYSA-N 0 3 272.392 2.851 20 30 CFEDHN C=CCCCNCc1nccn1Cc1ccccc1 ZINC000569672440 383525056 /nfs/dbraw/zinc/52/50/56/383525056.db2.gz DPXPJBRGTFIYSK-UHFFFAOYSA-N 0 3 255.365 2.987 20 30 CFEDHN CSC[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000569739961 383533736 /nfs/dbraw/zinc/53/37/36/383533736.db2.gz TVLLPCFQBFOLKS-ZDUSSCGKSA-N 0 3 261.394 2.528 20 30 CFEDHN CC1(C)CC(CN2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000528446268 383540531 /nfs/dbraw/zinc/54/05/31/383540531.db2.gz ABDNOBNMHSIFPT-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000341123789 383574751 /nfs/dbraw/zinc/57/47/51/383574751.db2.gz ITKSEDBXMQVPJI-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000429871121 383574896 /nfs/dbraw/zinc/57/48/96/383574896.db2.gz UQGXBPKAQPRAIU-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2CCC=CCC2)CC1 ZINC000635531128 383578630 /nfs/dbraw/zinc/57/86/30/383578630.db2.gz OIWLOGXITKUDIC-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN CCCn1nc(C)c(CNCC2(CC#N)CC2)c1C ZINC000430023426 383584023 /nfs/dbraw/zinc/58/40/23/383584023.db2.gz OENIEJVIFFFBDA-UHFFFAOYSA-N 0 3 260.385 2.693 20 30 CFEDHN CC(C)(C)c1ncc2c(n1)CCN(CCCCC#N)C2 ZINC000528595674 383586899 /nfs/dbraw/zinc/58/68/99/383586899.db2.gz WKYKYPSWLCTYBG-UHFFFAOYSA-N 0 3 272.396 2.826 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000429692534 383559135 /nfs/dbraw/zinc/55/91/35/383559135.db2.gz UAAOVXMVDIJWNX-FVQBIDKESA-N 0 3 255.365 2.865 20 30 CFEDHN CC(C)CCO[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429700449 383560014 /nfs/dbraw/zinc/56/00/14/383560014.db2.gz QZIMEUZQLQETIJ-QLFBSQMISA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ncc(C(C)(C)C)o1 ZINC000429709813 383562211 /nfs/dbraw/zinc/56/22/11/383562211.db2.gz SDTPBKNWZLUALL-UHFFFAOYSA-N 0 3 279.428 2.912 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000429732086 383565366 /nfs/dbraw/zinc/56/53/66/383565366.db2.gz VCHXDJQXDZQWAK-UHFFFAOYSA-N 0 3 295.358 2.674 20 30 CFEDHN Cc1nnc(NCCN2[C@@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000341108880 383568122 /nfs/dbraw/zinc/56/81/22/383568122.db2.gz SYTYODARHLNROJ-RYUDHWBXSA-N 0 3 287.411 2.640 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787749 383638015 /nfs/dbraw/zinc/63/80/15/383638015.db2.gz HHNHORLZXQOGAF-CYBMUJFWSA-N 0 3 274.368 2.649 20 30 CFEDHN CCO[C@H]1CCN(CCOc2ccccc2C#N)C[C@H]1C ZINC000451541057 383638722 /nfs/dbraw/zinc/63/87/22/383638722.db2.gz LHMQJANHSUKWMV-ZBFHGGJFSA-N 0 3 288.391 2.684 20 30 CFEDHN CN(CC(=O)Nc1cccc(C#N)c1)C1(C)CCCC1 ZINC000489829128 383638862 /nfs/dbraw/zinc/63/88/62/383638862.db2.gz HPRFMWYNVKLRGO-UHFFFAOYSA-N 0 3 271.364 2.761 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1C[C@H](OC)C1(CC)CC ZINC000570883760 383644429 /nfs/dbraw/zinc/64/44/29/383644429.db2.gz IVEOFRMVYXJRAJ-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(C(=O)[C@H](N)CCC)c1nc2c(s1)CCCC2 ZINC000489945403 383644734 /nfs/dbraw/zinc/64/47/34/383644734.db2.gz IZEGQGDBRIAPIH-LLVKDONJSA-N 0 3 293.436 2.668 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451591154 383653227 /nfs/dbraw/zinc/65/32/27/383653227.db2.gz AAVQRLAMDDXUBZ-NVXWUHKLSA-N 0 3 288.366 2.584 20 30 CFEDHN COc1cc(C#N)ccc1OCCN(C)[C@H]1CC1(C)C ZINC000489393872 383613416 /nfs/dbraw/zinc/61/34/16/383613416.db2.gz BULWKOBBTOYMAO-HNNXBMFYSA-N 0 3 274.364 2.676 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1F ZINC000489493441 383624227 /nfs/dbraw/zinc/62/42/27/383624227.db2.gz FJNSLXGSNYEHEW-ZIAGYGMSSA-N 0 3 279.355 2.606 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451490297 383626394 /nfs/dbraw/zinc/62/63/94/383626394.db2.gz ADGDMLZYKLUHMT-XZJROXQQSA-N 0 3 288.391 2.716 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC000451492919 383627724 /nfs/dbraw/zinc/62/77/24/383627724.db2.gz QWMGARGBNVSWCG-DOTOQJQBSA-N 0 3 288.391 2.860 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(c3cccc(C)c3)CC2)CC1 ZINC000264525508 383751062 /nfs/dbraw/zinc/75/10/62/383751062.db2.gz YGKNMHUMOGYKFG-UHFFFAOYSA-N 0 3 298.430 2.793 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2=CCCCC2)cc1 ZINC000452295119 383751265 /nfs/dbraw/zinc/75/12/65/383751265.db2.gz YZDWWFIWBMJMQS-QGZVFWFLSA-N 0 3 293.370 2.857 20 30 CFEDHN CN(Cc1ccc(OCC#N)cc1)C[C@H]1CCCCO1 ZINC000264545700 383753522 /nfs/dbraw/zinc/75/35/22/383753522.db2.gz JKVSDRVFQWZRRC-MRXNPFEDSA-N 0 3 274.364 2.590 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](c2ccccc2)C1 ZINC000433067214 383753755 /nfs/dbraw/zinc/75/37/55/383753755.db2.gz MKPXVTNKRWLQTR-DOTOQJQBSA-N 0 3 299.418 2.627 20 30 CFEDHN CN(Cc1ccncc1)C(=O)C(C#N)CCc1ccccc1 ZINC000433221600 383755950 /nfs/dbraw/zinc/75/59/50/383755950.db2.gz QFEOHHADIYNWGK-QGZVFWFLSA-N 0 3 293.370 2.813 20 30 CFEDHN Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(C)C#N)c1 ZINC000435721074 383779165 /nfs/dbraw/zinc/77/91/65/383779165.db2.gz AYXDWEJJRYEQRM-CWRNSKLLSA-N 0 3 286.375 2.961 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(OCC)n1 ZINC000435736338 383779200 /nfs/dbraw/zinc/77/92/00/383779200.db2.gz WNKSWKDRAMSLQQ-CZUORRHYSA-N 0 3 276.380 2.551 20 30 CFEDHN C[C@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375824 383762024 /nfs/dbraw/zinc/76/20/24/383762024.db2.gz LWHSQNZEAKLQFG-ZFWWWQNUSA-N 0 3 256.349 2.627 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C1(CC)CC ZINC000434343013 383768333 /nfs/dbraw/zinc/76/83/33/383768333.db2.gz TUAAGVWXYIPISV-RWMBFGLXSA-N 0 3 266.385 2.588 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451616471 383668556 /nfs/dbraw/zinc/66/85/56/383668556.db2.gz VVOXGTNYMMMSRF-DLBZAZTESA-N 0 3 288.366 2.584 20 30 CFEDHN N#Cc1ccc(N2CCN(C3CCC3)CC2)cc1Cl ZINC000264958166 383807355 /nfs/dbraw/zinc/80/73/55/383807355.db2.gz MTABSLGPORSAND-UHFFFAOYSA-N 0 3 275.783 2.886 20 30 CFEDHN CCCN(C)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000436349955 383807990 /nfs/dbraw/zinc/80/79/90/383807990.db2.gz FFCKTOAIWBNPMZ-DLBZAZTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3cccc(F)c32)CC1 ZINC000264969870 383808432 /nfs/dbraw/zinc/80/84/32/383808432.db2.gz YOQPOKJMPGMIER-UHFFFAOYSA-N 0 3 286.354 2.831 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000435974036 383782359 /nfs/dbraw/zinc/78/23/59/383782359.db2.gz TYANFAYIRGEXIH-KNXALSJPSA-N 0 3 264.328 2.972 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC=C(C)C1 ZINC000436266120 383794675 /nfs/dbraw/zinc/79/46/75/383794675.db2.gz UFAKLHPIKQOAAZ-KRWDZBQOSA-N 0 3 287.403 2.807 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCN3CCCC[C@@H]23)c(Cl)c1 ZINC000265132323 383841116 /nfs/dbraw/zinc/84/11/16/383841116.db2.gz NKUKGUCSDSXPEK-OLZOCXBDSA-N 0 3 276.771 2.645 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000453359884 383847672 /nfs/dbraw/zinc/84/76/72/383847672.db2.gz PMLQNJYOZISLJD-WQVCFCJDSA-N 0 3 256.349 2.942 20 30 CFEDHN Cc1ccc(CCNCc2ccc(C#N)s2)nc1 ZINC000453608927 383876158 /nfs/dbraw/zinc/87/61/58/383876158.db2.gz YTLBRRFHNWPQAH-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000437616077 383907449 /nfs/dbraw/zinc/90/74/49/383907449.db2.gz KFYTWZIVLJXTDD-YQQAZPJKSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000637321117 384026966 /nfs/dbraw/zinc/02/69/66/384026966.db2.gz FJSGGGWLYAVNTJ-KBPBESRZSA-N 0 3 281.444 2.713 20 30 CFEDHN CC#CCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000265983661 384043113 /nfs/dbraw/zinc/04/31/13/384043113.db2.gz GJWYSQNYRYXUQI-UHFFFAOYSA-N 0 3 280.375 2.674 20 30 CFEDHN C=CCN(C(=O)NC[C@H]1CCN1C1CCCCC1)C1CC1 ZINC000637369681 384046409 /nfs/dbraw/zinc/04/64/09/384046409.db2.gz AUMZCSSUPPQFAK-MRXNPFEDSA-N 0 3 291.439 2.753 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438929523 384030615 /nfs/dbraw/zinc/03/06/15/384030615.db2.gz WHNSYOIIQJIYMM-BBBLOLIVSA-N 0 3 262.275 2.631 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000440004979 384055247 /nfs/dbraw/zinc/05/52/47/384055247.db2.gz RHNLZVUBGOZDPC-SCZZXKLOSA-N 0 3 262.275 2.773 20 30 CFEDHN COCCOc1ncccc1CNCC(C)(C)CCC#N ZINC000266206859 384116370 /nfs/dbraw/zinc/11/63/70/384116370.db2.gz NBTLPEIEGRJUQQ-UHFFFAOYSA-N 0 3 291.395 2.526 20 30 CFEDHN C=CCN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000266319011 384144683 /nfs/dbraw/zinc/14/46/83/384144683.db2.gz FNASRALDMQDHDB-UHFFFAOYSA-N 0 3 276.771 2.669 20 30 CFEDHN CC(C)C[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266701615 384223372 /nfs/dbraw/zinc/22/33/72/384223372.db2.gz FLPQMHLEZOAFFJ-KRWDZBQOSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCN(CCCc1nc(C)no1)Cc1ccccc1 ZINC000266896412 384255274 /nfs/dbraw/zinc/25/52/74/384255274.db2.gz VITLQTUNCRQNMP-UHFFFAOYSA-N 0 3 271.364 2.999 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCc1ccc(C#N)s1 ZINC000267166291 384312579 /nfs/dbraw/zinc/31/25/79/384312579.db2.gz GXIVGENYCGADNZ-OLZOCXBDSA-N 0 3 250.367 2.667 20 30 CFEDHN C[C@H]1COCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000277502120 384321124 /nfs/dbraw/zinc/32/11/24/384321124.db2.gz PNSTWTLJAUHMJT-SWLSCSKDSA-N 0 3 263.768 2.706 20 30 CFEDHN CC(C)N1CCC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000267045294 384285621 /nfs/dbraw/zinc/28/56/21/384285621.db2.gz DHFIBJNXAORVDY-BBRMVZONSA-N 0 3 285.391 2.608 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1ccc(C#N)s1 ZINC000267247149 384335177 /nfs/dbraw/zinc/33/51/77/384335177.db2.gz HVPVJBBERXLURG-UHFFFAOYSA-N 0 3 280.393 2.831 20 30 CFEDHN CC#CC[C@H](CO)NCc1c2ccccc2oc1CC ZINC000641769006 384335536 /nfs/dbraw/zinc/33/55/36/384335536.db2.gz NSEXCZHVJGKAIL-CYBMUJFWSA-N 0 3 271.360 2.859 20 30 CFEDHN CCN1CCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000267272410 384344453 /nfs/dbraw/zinc/34/44/53/384344453.db2.gz ZXXDHDZMJTXXTB-SNVBAGLBSA-N 0 3 264.760 2.503 20 30 CFEDHN COC[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000267345594 384363233 /nfs/dbraw/zinc/36/32/33/384363233.db2.gz DPYRMJUOPMEQSC-CQSZACIVSA-N 0 3 263.768 2.660 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CO)CC1CCC1 ZINC000641757399 384323634 /nfs/dbraw/zinc/32/36/34/384323634.db2.gz XPJXLDWUUBKAIC-MRXNPFEDSA-N 0 3 275.392 2.892 20 30 CFEDHN N#Cc1cccc(CNCCOCC(F)(F)C(F)F)c1 ZINC000277511744 384324231 /nfs/dbraw/zinc/32/42/31/384324231.db2.gz RAWVBEKSYGNJQH-UHFFFAOYSA-N 0 3 290.260 2.565 20 30 CFEDHN C[C@H]1C[C@@H](N(C)c2ccc(Cl)c(C#N)n2)CCN1C ZINC000267231424 384330708 /nfs/dbraw/zinc/33/07/08/384330708.db2.gz PYHLWNXJTPXKML-QWRGUYRKSA-N 0 3 278.787 2.526 20 30 CFEDHN C=CCN(C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000642233788 384415650 /nfs/dbraw/zinc/41/56/50/384415650.db2.gz IZLKIUBAGWIIHF-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN N#Cc1ccc(NCCCN2CCc3ccccc3C2)cn1 ZINC000267394333 384378764 /nfs/dbraw/zinc/37/87/64/384378764.db2.gz OAODXYQMEQPEMP-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267401976 384380129 /nfs/dbraw/zinc/38/01/29/384380129.db2.gz JJAMAMQUBSPQOY-DOTOQJQBSA-N 0 3 286.419 2.979 20 30 CFEDHN Cc1cc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)ccc1F ZINC000267691991 384443855 /nfs/dbraw/zinc/44/38/55/384443855.db2.gz QQRLJZUDMWQBFO-CHWSQXEVSA-N 0 3 291.370 2.545 20 30 CFEDHN C=CCN(CCC1OCCCO1)Cc1ccc(OC)cc1 ZINC000267922330 384490274 /nfs/dbraw/zinc/49/02/74/384490274.db2.gz JAOYMXRJBNMTSH-UHFFFAOYSA-N 0 3 291.391 2.836 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCNc1ccccn1)CC2 ZINC000353278317 220305420 /nfs/dbraw/zinc/30/54/20/220305420.db2.gz WQQRMLASFRXHHU-INIZCTEOSA-N 0 3 278.359 2.642 20 30 CFEDHN CCC[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000268131302 384538701 /nfs/dbraw/zinc/53/87/01/384538701.db2.gz CLKLJRBSPLMTQE-QGZVFWFLSA-N 0 3 299.418 2.687 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268257432 384582328 /nfs/dbraw/zinc/58/23/28/384582328.db2.gz WKBJRAQALHEFHJ-CVEARBPZSA-N 0 3 276.355 2.823 20 30 CFEDHN CC#CCN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268342525 384608209 /nfs/dbraw/zinc/60/82/09/384608209.db2.gz AMYIJAGCIAVNTO-CABCVRRESA-N 0 3 261.365 2.971 20 30 CFEDHN COCC#CCN(C)CCc1cccc(Br)c1 ZINC000643419077 384628000 /nfs/dbraw/zinc/62/80/00/384628000.db2.gz SDLWUVRZLMHDAU-UHFFFAOYSA-N 0 3 296.208 2.573 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2c2nc(Cl)c(C#N)s2)C1 ZINC000278764861 384595289 /nfs/dbraw/zinc/59/52/89/384595289.db2.gz UBDNPZYFCKJMOT-ZJUUUORDSA-N 0 3 296.827 2.589 20 30 CFEDHN CN(C)CCN(Cc1cccc(F)c1)c1ncccc1C#N ZINC000268319719 384600435 /nfs/dbraw/zinc/60/04/35/384600435.db2.gz MKVVMGKNHOQFKT-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN CN(C)CCN(Cc1cccs1)c1ccc(C#N)cn1 ZINC000268321099 384600726 /nfs/dbraw/zinc/60/07/26/384600726.db2.gz NAISJCRSEJIEGE-UHFFFAOYSA-N 0 3 286.404 2.583 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)C1 ZINC000638471889 384683947 /nfs/dbraw/zinc/68/39/47/384683947.db2.gz MUFOQVNLTUNKLL-LZWOXQAQSA-N 0 3 272.392 2.747 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000638474061 384685365 /nfs/dbraw/zinc/68/53/65/384685365.db2.gz HAWZXLGVGDJKHQ-CZUORRHYSA-N 0 3 270.376 2.646 20 30 CFEDHN COC1(CNCc2ccc(C#N)o2)CCC(C)CC1 ZINC000279788442 384761413 /nfs/dbraw/zinc/76/14/13/384761413.db2.gz MCIJJGHQDKXSEQ-UHFFFAOYSA-N 0 3 262.353 2.836 20 30 CFEDHN C=CC[C@H](C)NCc1cnn2cc(Br)cnc12 ZINC000638608960 384780533 /nfs/dbraw/zinc/78/05/33/384780533.db2.gz GYTVQYQLKOKTSG-VIFPVBQESA-N 0 3 295.184 2.546 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000269651549 384821248 /nfs/dbraw/zinc/82/12/48/384821248.db2.gz DPSXPYNFSYITOF-INIZCTEOSA-N 0 3 297.402 2.567 20 30 CFEDHN CCN(CC#Cc1cccc(Cl)c1)CC(C)(C)O ZINC000269537779 384782661 /nfs/dbraw/zinc/78/26/61/384782661.db2.gz VGYMDBCWPOMSDT-UHFFFAOYSA-N 0 3 265.784 2.784 20 30 CFEDHN C=CCS(=O)(=O)CCNC[C@@H](c1ccccc1)C(C)C ZINC000280116152 384890160 /nfs/dbraw/zinc/89/01/60/384890160.db2.gz CEJOXDASWBZNEX-MRXNPFEDSA-N 0 3 295.448 2.617 20 30 CFEDHN C[C@@]1(O)CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000280285904 384960697 /nfs/dbraw/zinc/96/06/97/384960697.db2.gz ZFWPTIZPWQYOJD-MRXNPFEDSA-N 0 3 277.795 2.928 20 30 CFEDHN C=C(CNC[C@@H](O)COCc1ccccc1)c1ccccc1 ZINC000644647419 384975288 /nfs/dbraw/zinc/97/52/88/384975288.db2.gz ZFNYFTYSNJXUAR-LJQANCHMSA-N 0 3 297.398 2.867 20 30 CFEDHN C=C(CNC[C@@H](O)CC(F)(F)F)c1ccccc1 ZINC000644647336 384975810 /nfs/dbraw/zinc/97/58/10/384975810.db2.gz QXJXYEFKLOKMOW-LBPRGKRZSA-N 0 3 259.271 2.603 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000638875434 385009434 /nfs/dbraw/zinc/00/94/34/385009434.db2.gz TUPRQASTFFUALH-MRXNPFEDSA-N 0 3 286.419 2.982 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000270219812 385019719 /nfs/dbraw/zinc/01/97/19/385019719.db2.gz LRMOQVQSADRCAP-HNNXBMFYSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000280530651 385047884 /nfs/dbraw/zinc/04/78/84/385047884.db2.gz BWWGGUCTJLKMMF-ZBFHGGJFSA-N 0 3 274.339 2.768 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000280561846 385061013 /nfs/dbraw/zinc/06/10/13/385061013.db2.gz FXFRPKVVOAZFRO-RHSMWYFYSA-N 0 3 291.391 2.862 20 30 CFEDHN C=CCN(CCn1ccnc1C)Cc1ccccc1 ZINC000270665082 385181629 /nfs/dbraw/zinc/18/16/29/385181629.db2.gz PTFSLZRGUMTRFO-UHFFFAOYSA-N 0 3 255.365 2.880 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCC(C)(C)c2ccccc21 ZINC000280805864 385162399 /nfs/dbraw/zinc/16/23/99/385162399.db2.gz IUWFNHDUZOFSJU-HNNXBMFYSA-N 0 3 272.392 2.691 20 30 CFEDHN C=CC[C@H](CC)N[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000280984715 385179575 /nfs/dbraw/zinc/17/95/75/385179575.db2.gz IQTVYOMTTYQWTJ-LSDHHAIUSA-N 0 3 260.381 2.760 20 30 CFEDHN C#C[C@H](NCc1ccc(COCCOC)cc1)C(C)C ZINC000289118402 197239596 /nfs/dbraw/zinc/23/95/96/197239596.db2.gz DJQNMMZIBURSJG-KRWDZBQOSA-N 0 3 275.392 2.597 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2ccccc2o1 ZINC000639145545 385248616 /nfs/dbraw/zinc/24/86/16/385248616.db2.gz NASJNAGHFJZJRJ-BLLLJJGKSA-N 0 3 272.348 2.899 20 30 CFEDHN C=C(C)COc1cc(CN(CCO)C(C)C)ccc1OC ZINC000271047211 385319324 /nfs/dbraw/zinc/31/93/24/385319324.db2.gz RSQXQIYJURTROE-UHFFFAOYSA-N 0 3 293.407 2.853 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000335025725 533112287 /nfs/dbraw/zinc/11/22/87/533112287.db2.gz KGCGRDAMAUKPAH-JSGCOSHPSA-N 0 3 256.349 2.941 20 30 CFEDHN C[C@@H](c1ccccn1)N(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000271091970 385334309 /nfs/dbraw/zinc/33/43/09/385334309.db2.gz VIORUOCQIHKJLB-SUMWQHHRSA-N 0 3 281.359 2.680 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352224927 533116400 /nfs/dbraw/zinc/11/64/00/533116400.db2.gz FYSWGENHAHQYFG-JSGCOSHPSA-N 0 3 255.321 2.697 20 30 CFEDHN COc1ccc(CN[C@H]2CSC2(C)C)cc1C#N ZINC000282699097 385373746 /nfs/dbraw/zinc/37/37/46/385373746.db2.gz LWIDKRBPJSOJFX-ZDUSSCGKSA-N 0 3 262.378 2.550 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)Nc1ncccc1C#N ZINC000271792187 385392942 /nfs/dbraw/zinc/39/29/42/385392942.db2.gz JLNZTZDGDBVVSP-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@H](NCc1ccn(C)c1)c1ccc(C#N)c(F)c1 ZINC000271947768 385407879 /nfs/dbraw/zinc/40/78/79/385407879.db2.gz NVTDNTOOZOIIHF-NSHDSACASA-N 0 3 257.312 2.887 20 30 CFEDHN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271951075 385409106 /nfs/dbraw/zinc/40/91/06/385409106.db2.gz OQSDILZAENXVME-PGUXBMHVSA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)C[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271972899 385415820 /nfs/dbraw/zinc/41/58/20/385415820.db2.gz XFIGTCVNVSGMAN-RISCZKNCSA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)C[C@@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271972897 385416045 /nfs/dbraw/zinc/41/60/45/385416045.db2.gz XFIGTCVNVSGMAN-FZMZJTMJSA-N 0 3 264.344 2.755 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000639311668 385438171 /nfs/dbraw/zinc/43/81/71/385438171.db2.gz USAQZZSENKDRTE-ZDUSSCGKSA-N 0 3 286.375 2.920 20 30 CFEDHN CC#CC(=O)Nc1cc(CN2CCCC2)ccc1C ZINC000283164107 385442435 /nfs/dbraw/zinc/44/24/35/385442435.db2.gz KGHPWVNGAZQWTC-UHFFFAOYSA-N 0 3 256.349 2.553 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CCCC)c1ccccc1 ZINC000272098540 385447416 /nfs/dbraw/zinc/44/74/16/385447416.db2.gz YQHVZTCQCIKKNF-HNNXBMFYSA-N 0 3 260.381 2.810 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000347042154 533118534 /nfs/dbraw/zinc/11/85/34/533118534.db2.gz UAVUUBQHGXXZNR-TVQRCGJNSA-N 0 3 294.301 2.941 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000288943009 197197608 /nfs/dbraw/zinc/19/76/08/197197608.db2.gz WYHLUJQCPMAXCR-KRWDZBQOSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCNC(=O)CNc1cc(CC)nc2ccccc21 ZINC000272026706 385430451 /nfs/dbraw/zinc/43/04/51/385430451.db2.gz QZIWJIXRQXRRHV-UHFFFAOYSA-N 0 3 269.348 2.511 20 30 CFEDHN COc1ccc(CN[C@@H](C)[C@@H]2CCCCO2)cc1C#N ZINC000272047403 385435434 /nfs/dbraw/zinc/43/54/34/385435434.db2.gz XHEVWFBFKAEEBF-WFASDCNBSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C1CCN(CCC(=O)OCc2ccccc2)CC1 ZINC000272048985 385435642 /nfs/dbraw/zinc/43/56/42/385435642.db2.gz SUICXOATJIUMFR-UHFFFAOYSA-N 0 3 259.349 2.772 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@@H]1CCCCO1 ZINC000272057531 385437189 /nfs/dbraw/zinc/43/71/89/385437189.db2.gz ZGVGCIIGUCXBDG-MFKMUULPSA-N 0 3 250.367 2.667 20 30 CFEDHN C#CCN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272181447 385467625 /nfs/dbraw/zinc/46/76/25/385467625.db2.gz CUZHPBHUMPWCMW-CQSZACIVSA-N 0 3 272.396 2.665 20 30 CFEDHN C#CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272181447 385467629 /nfs/dbraw/zinc/46/76/29/385467629.db2.gz CUZHPBHUMPWCMW-CQSZACIVSA-N 0 3 272.396 2.665 20 30 CFEDHN N#Cc1ccnc(N2CCCN(Cc3ccccc3)CC2)c1 ZINC000283615101 385481846 /nfs/dbraw/zinc/48/18/46/385481846.db2.gz SDBJNSLSUDVKHU-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN CCN1CCCC[C@H]1CNc1snc(C)c1C#N ZINC000283730852 385493776 /nfs/dbraw/zinc/49/37/76/385493776.db2.gz HUGSJUSNXOJICG-NSHDSACASA-N 0 3 264.398 2.610 20 30 CFEDHN C=CCN(CCc1cnccn1)Cc1ccc(OC)cc1 ZINC000639456244 385540662 /nfs/dbraw/zinc/54/06/62/385540662.db2.gz HZQVEQDVLIOYLU-UHFFFAOYSA-N 0 3 283.375 2.716 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284171574 385544085 /nfs/dbraw/zinc/54/40/85/385544085.db2.gz FJFMULBHOQVFMZ-NSHDSACASA-N 0 3 284.787 2.987 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000272466404 385544821 /nfs/dbraw/zinc/54/48/21/385544821.db2.gz FBMPKTUQHWTHAG-CYBMUJFWSA-N 0 3 284.197 2.990 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000272471674 385545562 /nfs/dbraw/zinc/54/55/62/385545562.db2.gz LKKMLTBDCXBPQZ-NXHRZFHOSA-N 0 3 298.430 2.899 20 30 CFEDHN C#CCOc1ccc(CN2CCC(C)(OC)CC2)cc1 ZINC000272372601 385522277 /nfs/dbraw/zinc/52/22/77/385522277.db2.gz PRLGPGVQKJFZNM-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H](C)CN2CCC[C@H](C)C2)n1 ZINC000286230921 385575081 /nfs/dbraw/zinc/57/50/81/385575081.db2.gz HMTMKCYBAUTBIH-GXTWGEPZSA-N 0 3 272.396 2.794 20 30 CFEDHN C=C[C@H](CC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1 ZINC000272538320 385560726 /nfs/dbraw/zinc/56/07/26/385560726.db2.gz KDDLNSFAWUUCPP-SOUVJXGZSA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCC[C@H](NCCCN1CCOC1=O)c1ccco1 ZINC000286126548 385561747 /nfs/dbraw/zinc/56/17/47/385561747.db2.gz OHQJNQRUSVYGML-ZDUSSCGKSA-N 0 3 278.352 2.719 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1c(OC)cccc1OC ZINC000286218126 385573198 /nfs/dbraw/zinc/57/31/98/385573198.db2.gz YONFSZIWFDQKHU-GUYCJALGSA-N 0 3 291.391 2.775 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1c(OC)cccc1OC ZINC000286218129 385573271 /nfs/dbraw/zinc/57/32/71/385573271.db2.gz YONFSZIWFDQKHU-SUMWQHHRSA-N 0 3 291.391 2.775 20 30 CFEDHN C=CCS(=O)(=O)CCNCc1cccc2ccccc21 ZINC000272844832 385631202 /nfs/dbraw/zinc/63/12/02/385631202.db2.gz NNYDXFIWSLBWPR-UHFFFAOYSA-N 0 3 289.400 2.530 20 30 CFEDHN Cc1cc(C#N)nc(NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000286613369 385665957 /nfs/dbraw/zinc/66/59/57/385665957.db2.gz BYLLUHLLNFEPKM-AWEZNQCLSA-N 0 3 295.390 2.589 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286646889 385675009 /nfs/dbraw/zinc/67/50/09/385675009.db2.gz DMSMJXIEABEWRD-UHFFFAOYSA-N 0 3 290.367 2.629 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000274248394 385748495 /nfs/dbraw/zinc/74/84/95/385748495.db2.gz JEEMNQCMWINERU-ZYHUDNBSSA-N 0 3 286.335 2.504 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(OC)c(C#N)c2)C1 ZINC000287038498 385768309 /nfs/dbraw/zinc/76/83/09/385768309.db2.gz SRUHRUOFAPHCHH-UHFFFAOYSA-N 0 3 274.364 2.566 20 30 CFEDHN CCN1CC[C@@H](N(C)c2nc(Cl)c(C#N)s2)[C@@H](C)C1 ZINC000287122560 385785429 /nfs/dbraw/zinc/78/54/29/385785429.db2.gz CUJREXHWTXHSKF-VHSXEESVSA-N 0 3 298.843 2.835 20 30 CFEDHN C[C@H]1C[C@@H](N(C)c2nc(Cl)c(C#N)s2)CCN1C ZINC000287268850 385816250 /nfs/dbraw/zinc/81/62/50/385816250.db2.gz LFKVDONCONTDKX-IUCAKERBSA-N 0 3 284.816 2.587 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000274641581 385840116 /nfs/dbraw/zinc/84/01/16/385840116.db2.gz ATAIINJIUNTOHC-SNVBAGLBSA-N 0 3 277.343 2.803 20 30 CFEDHN C[C@@H](NCC1=CCCOC1)c1ccc(C#N)c(F)c1 ZINC000287168820 385795408 /nfs/dbraw/zinc/79/54/08/385795408.db2.gz UMIAACNKLBFQJI-LLVKDONJSA-N 0 3 260.312 2.695 20 30 CFEDHN CC[C@@H](NCC1=CCCOC1)c1ccc(C#N)cc1 ZINC000287180722 385796876 /nfs/dbraw/zinc/79/68/76/385796876.db2.gz VEUKBBBNIJTPEM-MRXNPFEDSA-N 0 3 256.349 2.946 20 30 CFEDHN C#CCCOc1ccc(CNCC2=CCCOC2)cc1 ZINC000288565096 197114455 /nfs/dbraw/zinc/11/44/55/197114455.db2.gz ZEFFEUSSOGLODN-UHFFFAOYSA-N 0 3 271.360 2.525 20 30 CFEDHN C=C(C)CCN1CCN(c2ncnc3ccsc32)CC1 ZINC000274772380 385868785 /nfs/dbraw/zinc/86/87/85/385868785.db2.gz HVQHWEXTZZFMRT-UHFFFAOYSA-N 0 3 288.420 2.780 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000275102807 385932919 /nfs/dbraw/zinc/93/29/19/385932919.db2.gz COQLRPZWJLTOPY-JCGIZDLHSA-N 0 3 298.430 2.945 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(C#N)c(F)c1 ZINC000275309197 385974857 /nfs/dbraw/zinc/97/48/57/385974857.db2.gz JARGUZMJTIWTEP-FZZIBODNSA-N 0 3 262.328 2.507 20 30 CFEDHN COc1ccc(CN[C@H](C)[C@H](O)c2ccccc2)cc1C#N ZINC000288488400 197092813 /nfs/dbraw/zinc/09/28/13/197092813.db2.gz HBIDVMGIRFCRLU-ACJLOTCBSA-N 0 3 296.370 2.779 20 30 CFEDHN Cc1cccc2c1CN(C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000277023640 386109925 /nfs/dbraw/zinc/10/99/25/386109925.db2.gz APRNPALPKIFDHT-IBGZPJMESA-N 0 3 292.382 2.958 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000277030636 386112398 /nfs/dbraw/zinc/11/23/98/386112398.db2.gz OBUMIBOFTWDLQE-SJLPKXTDSA-N 0 3 298.430 2.817 20 30 CFEDHN C#CC[C@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1 ZINC000276908231 386076790 /nfs/dbraw/zinc/07/67/90/386076790.db2.gz FJFMNUJKYXKJRO-HOTGVXAUSA-N 0 3 283.371 2.826 20 30 CFEDHN C=CC[C@@H](CC)NCc1ccc(C(=O)OCC)o1 ZINC000281211382 195151169 /nfs/dbraw/zinc/15/11/69/195151169.db2.gz JTZMGISEJCDPNW-LLVKDONJSA-N 0 3 251.326 2.901 20 30 CFEDHN C#C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)C(C)(C)C ZINC000288224507 197030283 /nfs/dbraw/zinc/03/02/83/197030283.db2.gz NRBQHAYPAPTWBL-OAHLLOKOSA-N 0 3 272.392 2.526 20 30 CFEDHN CC#CCCNCc1c[nH]nc1-c1cccc(OC)c1 ZINC000681488739 542456027 /nfs/dbraw/zinc/45/60/27/542456027.db2.gz FVFBDFBZPPFQBS-UHFFFAOYSA-N 0 3 269.348 2.588 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)c2cc(C)sc2C)C1=O ZINC000281221954 195155773 /nfs/dbraw/zinc/15/57/73/195155773.db2.gz OMNILAVHWVJYMA-RISCZKNCSA-N 0 3 278.421 2.802 20 30 CFEDHN C=CCC[C@H](C)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287522469 196875454 /nfs/dbraw/zinc/87/54/54/196875454.db2.gz ZUELSIUKBBBTMO-LSDHHAIUSA-N 0 3 290.407 2.941 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)N[C@@H](C)CN(C)C)c1 ZINC000287131227 196786319 /nfs/dbraw/zinc/78/63/19/196786319.db2.gz WFRDMKMUZPYJCL-ZDUSSCGKSA-N 0 3 291.395 2.713 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000186685642 260004729 /nfs/dbraw/zinc/00/47/29/260004729.db2.gz ULBNRTPIRDPTCT-DZGCQCFKSA-N 0 3 273.376 2.960 20 30 CFEDHN CCN(CC#CCOC)[C@H](C)Cc1ccsc1 ZINC000681710408 542482034 /nfs/dbraw/zinc/48/20/34/542482034.db2.gz XTIHTYRLKJJYQH-CYBMUJFWSA-N 0 3 251.395 2.651 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(Cc2cccs2)CC1 ZINC000364860397 262263312 /nfs/dbraw/zinc/26/33/12/262263312.db2.gz WXOXWMJBKDKLQN-CYBMUJFWSA-N 0 3 277.437 2.994 20 30 CFEDHN C=CCOCCCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000080287814 177637354 /nfs/dbraw/zinc/63/73/54/177637354.db2.gz HOJHSOLFUMRUOU-UHFFFAOYSA-N 0 3 290.407 2.978 20 30 CFEDHN CC(C)[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000117348169 260032526 /nfs/dbraw/zinc/03/25/26/260032526.db2.gz TXQZDNNGQDKFMM-ZBFHGGJFSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000367873175 260042041 /nfs/dbraw/zinc/04/20/41/260042041.db2.gz DVEOFDSWCMROJL-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@]1(N)C[C@H](OCC)C1(C)C ZINC000187807478 260059788 /nfs/dbraw/zinc/05/97/88/260059788.db2.gz MNGWXDXXZCBQCB-WMLDXEAASA-N 0 3 296.455 2.724 20 30 CFEDHN Cc1nccn1CCCCN(C[C@H](C)C#N)C1CC1 ZINC000336798808 262396728 /nfs/dbraw/zinc/39/67/28/262396728.db2.gz GJWUWLNUAXFELX-CYBMUJFWSA-N 0 3 260.385 2.596 20 30 CFEDHN COc1cc(CNC[C@H](O)c2ccc(C)cc2)ccc1C#N ZINC000281655513 195324625 /nfs/dbraw/zinc/32/46/25/195324625.db2.gz KJGVYWZIWIBYQF-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN COc1cc(CNC[C@@H](O)c2ccc(C)cc2)ccc1C#N ZINC000281655516 195324970 /nfs/dbraw/zinc/32/49/70/195324970.db2.gz KJGVYWZIWIBYQF-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN CCCC(O)(CCC)CNCc1ccc(C#N)c(OC)c1 ZINC000281661330 195325664 /nfs/dbraw/zinc/32/56/64/195325664.db2.gz KVJQRAYNVYVNNS-UHFFFAOYSA-N 0 3 290.407 2.988 20 30 CFEDHN COc1c(C)cc(C(=O)C(C#N)c2ccncn2)cc1C ZINC000354477879 533392905 /nfs/dbraw/zinc/39/29/05/533392905.db2.gz UCUVAUQRCQKELW-CYBMUJFWSA-N 0 3 281.315 2.592 20 30 CFEDHN COc1cccc(C=C2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000336570366 533441624 /nfs/dbraw/zinc/44/16/24/533441624.db2.gz RCYOTEGPLNJHKA-ZDUSSCGKSA-N 0 3 284.359 2.861 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1nccc(C#N)c1Cl ZINC000341840584 130084520 /nfs/dbraw/zinc/08/45/20/130084520.db2.gz HLXDQYBURAHFKR-RYUDHWBXSA-N 0 3 292.814 2.561 20 30 CFEDHN Cc1cnn(CCN2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000341901858 130144107 /nfs/dbraw/zinc/14/41/07/130144107.db2.gz CXFWECMKMRLADW-UHFFFAOYSA-N 0 3 292.386 2.853 20 30 CFEDHN CCn1nccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000682995043 542622798 /nfs/dbraw/zinc/62/27/98/542622798.db2.gz NVTDZFUWLRNRFS-AWEZNQCLSA-N 0 3 290.326 2.941 20 30 CFEDHN COC(=O)[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000191872659 130321544 /nfs/dbraw/zinc/32/15/44/130321544.db2.gz DBYXNQLZFQDQCP-XEZPLFJOSA-N 0 3 286.375 2.750 20 30 CFEDHN C[C@@](CO)(CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000342193160 130327161 /nfs/dbraw/zinc/32/71/61/130327161.db2.gz CHJSNXWVSNTDPN-SFHVURJKSA-N 0 3 280.371 2.598 20 30 CFEDHN C#CCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000192127461 130378771 /nfs/dbraw/zinc/37/87/71/130378771.db2.gz NCEGYNXTUXQKAJ-QGZVFWFLSA-N 0 3 284.403 2.743 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000237045138 131000227 /nfs/dbraw/zinc/00/02/27/131000227.db2.gz YJRICNADJHDUCQ-MRXNPFEDSA-N 0 3 274.408 2.761 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264454658 131455612 /nfs/dbraw/zinc/45/56/12/131455612.db2.gz HGALRTHJIYXLNG-KRWDZBQOSA-N 0 3 297.402 2.760 20 30 CFEDHN CC[C@H](C(=O)Nc1cccc(C#N)c1)N(CC)CC ZINC000265420866 131585746 /nfs/dbraw/zinc/58/57/46/131585746.db2.gz FRDYKJOVUCGBJW-CQSZACIVSA-N 0 3 259.353 2.617 20 30 CFEDHN Cc1nc([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n[nH]1 ZINC000268519424 132021637 /nfs/dbraw/zinc/02/16/37/132021637.db2.gz WHPOGMIWASWQAB-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000268519424 132021639 /nfs/dbraw/zinc/02/16/39/132021639.db2.gz WHPOGMIWASWQAB-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC000268519424 132021641 /nfs/dbraw/zinc/02/16/41/132021641.db2.gz WHPOGMIWASWQAB-AWEZNQCLSA-N 0 3 299.353 2.504 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](C)Cn2ccnc2)cc1 ZINC000268786843 132065734 /nfs/dbraw/zinc/06/57/34/132065734.db2.gz BTDPFJANJUSTRH-CABCVRRESA-N 0 3 283.375 2.634 20 30 CFEDHN CCC1(CNCc2ccc(C#N)cc2F)CCOCC1 ZINC000269439239 132171475 /nfs/dbraw/zinc/17/14/75/132171475.db2.gz SGVISKAOIIVXHR-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN COCCC1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000269465062 132174687 /nfs/dbraw/zinc/17/46/87/132174687.db2.gz YUPAWUAOJMYVLN-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000684093869 542764271 /nfs/dbraw/zinc/76/42/71/542764271.db2.gz DNFCNJKXXWOUOF-XIRDDKMYSA-N 0 3 275.392 2.681 20 30 CFEDHN COC(=O)C1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000178789625 393449130 /nfs/dbraw/zinc/44/91/30/393449130.db2.gz DMQIXPIXJPUJCC-UHFFFAOYSA-N 0 3 290.338 2.519 20 30 CFEDHN C#CCCCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179196999 393456776 /nfs/dbraw/zinc/45/67/76/393456776.db2.gz QDONWNCNYNJJIJ-IRXDYDNUSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CCN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301402700 393470241 /nfs/dbraw/zinc/47/02/41/393470241.db2.gz RKBFVTMCCPMYKD-UHFFFAOYSA-N 0 3 279.315 2.796 20 30 CFEDHN C#CCCCC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccs1 ZINC000373794547 393473631 /nfs/dbraw/zinc/47/36/31/393473631.db2.gz HXDQIQQYJKITRM-CJNGLKHVSA-N 0 3 290.432 2.661 20 30 CFEDHN C[C@@H]1C[C@]2(CCO1)CN(CC(C)(C)CCC#N)C[C@H](C)O2 ZINC000373973420 393477758 /nfs/dbraw/zinc/47/77/58/393477758.db2.gz BMNMIZSJMJEZNZ-HLLBOEOZSA-N 0 3 294.439 2.975 20 30 CFEDHN C=CCNC(=O)CNc1c2ccccc2nc(C)c1CC ZINC000302014582 393485489 /nfs/dbraw/zinc/48/54/89/393485489.db2.gz BRFJCGMKJYYXMJ-UHFFFAOYSA-N 0 3 283.375 2.820 20 30 CFEDHN C#CCOc1ccc(CN2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000374252913 393489548 /nfs/dbraw/zinc/48/95/48/393489548.db2.gz BDMKWRUTHWQVJW-MSOLQXFVSA-N 0 3 285.387 2.842 20 30 CFEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccccn1 ZINC000181796334 393502412 /nfs/dbraw/zinc/50/24/12/393502412.db2.gz BPGVZTYXIWPMKQ-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN CC[C@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182841485 393514046 /nfs/dbraw/zinc/51/40/46/393514046.db2.gz JEFJBZNJNSDABP-WMLDXEAASA-N 0 3 297.402 2.786 20 30 CFEDHN COC[C@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000307764871 393514630 /nfs/dbraw/zinc/51/46/30/393514630.db2.gz ODJDRBKFAOXWGS-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C=CCCCN[C@H](C[S@](C)=O)c1ccccc1 ZINC000183182465 393516577 /nfs/dbraw/zinc/51/65/77/393516577.db2.gz KGKVGLMGKGHGTC-PBHICJAKSA-N 0 3 251.395 2.662 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](c1nc(C)cs1)C1CC1 ZINC000183560691 393521010 /nfs/dbraw/zinc/52/10/10/393521010.db2.gz HQEVRRMRZVCOQI-STQMWFEESA-N 0 3 266.410 2.819 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183497949 393521586 /nfs/dbraw/zinc/52/15/86/393521586.db2.gz VJMCEVXMFYYBBH-RYUDHWBXSA-N 0 3 297.370 2.821 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000184284654 393525831 /nfs/dbraw/zinc/52/58/31/393525831.db2.gz JTJXKSJKSKPWPO-CQSZACIVSA-N 0 3 280.387 2.699 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cn2)CC1 ZINC000184273487 393525858 /nfs/dbraw/zinc/52/58/58/393525858.db2.gz PWYLUZMJFFUSCV-UHFFFAOYSA-N 0 3 288.395 2.552 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000184284637 393526494 /nfs/dbraw/zinc/52/64/94/393526494.db2.gz JTJXKSJKSKPWPO-AWEZNQCLSA-N 0 3 280.387 2.699 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](CC)c1nc(C)cs1 ZINC000184435002 393529339 /nfs/dbraw/zinc/52/93/39/393529339.db2.gz OWPSOMRFVYOFQF-VXGBXAGGSA-N 0 3 254.399 2.819 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H]1CNc2ccnn2C1 ZINC000684195260 542774511 /nfs/dbraw/zinc/77/45/11/542774511.db2.gz MCMCAUXSERZWPL-CYBMUJFWSA-N 0 3 288.420 2.675 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(CCOC2)C1 ZINC000187709020 393557091 /nfs/dbraw/zinc/55/70/91/393557091.db2.gz HSVHDJNHLLMVLA-BBRMVZONSA-N 0 3 256.349 2.732 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000332254997 393561616 /nfs/dbraw/zinc/56/16/16/393561616.db2.gz CTOPXDXUGNVPNZ-IUODEOHRSA-N 0 3 281.363 2.617 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000332254997 393561620 /nfs/dbraw/zinc/56/16/20/393561620.db2.gz CTOPXDXUGNVPNZ-IUODEOHRSA-N 0 3 281.363 2.617 20 30 CFEDHN CO[C@@H]1CN(Cc2ccc(C#N)cc2C)CC[C@@H]1C ZINC000189357297 393571505 /nfs/dbraw/zinc/57/15/05/393571505.db2.gz NDZSZKZOOFSXDY-BLLLJJGKSA-N 0 3 258.365 2.724 20 30 CFEDHN C[C@]1(O)CCCN(CCC2(C#N)CCCCC2)C1 ZINC000334558245 393608322 /nfs/dbraw/zinc/60/83/22/393608322.db2.gz LQKKOPFRMOZZND-AWEZNQCLSA-N 0 3 250.386 2.697 20 30 CFEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@@H]1O ZINC000334542020 393606208 /nfs/dbraw/zinc/60/62/08/393606208.db2.gz SRJSJEZHELTIJW-KGLIPLIRSA-N 0 3 250.386 2.553 20 30 CFEDHN C=CC[C@H]1N(C(=O)NC2CCN(C)CC2)CCCC1(C)C ZINC000334196230 393578588 /nfs/dbraw/zinc/57/85/88/393578588.db2.gz ZCKYRKFFVJHCEW-OAHLLOKOSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000334298293 393591238 /nfs/dbraw/zinc/59/12/38/393591238.db2.gz NWMXHDBWKCFMLY-SFYZADRCSA-N 0 3 299.143 2.925 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000334300545 393591419 /nfs/dbraw/zinc/59/14/19/393591419.db2.gz UVFBICLELAAJFA-YGRLFVJLSA-N 0 3 280.730 2.897 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000335116600 393644158 /nfs/dbraw/zinc/64/41/58/393644158.db2.gz LOFXBQXCLNVOBO-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nnc(C(C)C)s1 ZINC000411649216 393734785 /nfs/dbraw/zinc/73/47/85/393734785.db2.gz RDIMINBZUMZNRC-UHFFFAOYSA-N 0 3 282.457 2.601 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000411696568 393739786 /nfs/dbraw/zinc/73/97/86/393739786.db2.gz UQAUKDCGSOSEQY-RDJZCZTQSA-N 0 3 272.392 2.705 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000411818686 393751503 /nfs/dbraw/zinc/75/15/03/393751503.db2.gz PNJFJGPHHLWEMZ-SWLSCSKDSA-N 0 3 266.385 2.732 20 30 CFEDHN CC[C@H]1CC[C@H](C)N1Cc1cnc2ccc(C#N)cn12 ZINC000335660179 393687370 /nfs/dbraw/zinc/68/73/70/393687370.db2.gz ATLLLQROAWNGFS-JSGCOSHPSA-N 0 3 268.364 2.969 20 30 CFEDHN COc1ccc(CN(C)CCOCCC#N)cc1Cl ZINC000412023698 393759248 /nfs/dbraw/zinc/75/92/48/393759248.db2.gz AHAGJGUTZUWGDT-UHFFFAOYSA-N 0 3 282.771 2.711 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000411984852 393759979 /nfs/dbraw/zinc/75/99/79/393759979.db2.gz NSKSLFMNFHBUIR-NXHRZFHOSA-N 0 3 283.419 2.885 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC(C)(C)C[C@@H]1C ZINC000412020122 393760218 /nfs/dbraw/zinc/76/02/18/393760218.db2.gz HNTXNWCBQXOQKC-KBPBESRZSA-N 0 3 291.439 2.838 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)C1CC(C)(C)C1 ZINC000412039172 393760551 /nfs/dbraw/zinc/76/05/51/393760551.db2.gz PVHRKLWMISVKSR-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H]1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000340032645 393834638 /nfs/dbraw/zinc/83/46/38/393834638.db2.gz AUBJPVYIUSRSSY-KBRIMQKVSA-N 0 3 295.386 2.793 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000412318155 393766360 /nfs/dbraw/zinc/76/63/60/393766360.db2.gz YHNQQVGYXPVWPJ-OAHLLOKOSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN(CC)CC ZINC000412839326 393774014 /nfs/dbraw/zinc/77/40/14/393774014.db2.gz LOPDVMZPMHREGN-INIZCTEOSA-N 0 3 274.408 2.632 20 30 CFEDHN CCN(Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1)C1CC1 ZINC000338096240 393774456 /nfs/dbraw/zinc/77/44/56/393774456.db2.gz RYLHKLAABHJTIB-ZDUSSCGKSA-N 0 3 285.391 2.703 20 30 CFEDHN CC(C)(C)[C@H](CCO)NCc1ccc(C#N)s1 ZINC000231073472 393779976 /nfs/dbraw/zinc/77/99/76/393779976.db2.gz VWTUFNHGXZPESH-LBPRGKRZSA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000092455536 393788085 /nfs/dbraw/zinc/78/80/85/393788085.db2.gz HPTKBLOGZODBEV-ZDUSSCGKSA-N 0 3 295.427 2.915 20 30 CFEDHN CC[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)N(C)C ZINC000413817854 393789263 /nfs/dbraw/zinc/78/92/63/393789263.db2.gz MWRUBUBBYYOFPX-JKSUJKDBSA-N 0 3 287.407 2.878 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000338813518 393801736 /nfs/dbraw/zinc/80/17/36/393801736.db2.gz FCVKGNXPVQVRSG-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN N#CCCOCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000338914099 393804764 /nfs/dbraw/zinc/80/47/64/393804764.db2.gz CDMXEDOXRRMOSF-CQSZACIVSA-N 0 3 294.420 2.659 20 30 CFEDHN C[C@H](Cn1ccnc1)NCc1cccc(OCCCC#N)c1 ZINC000338953161 393807557 /nfs/dbraw/zinc/80/75/57/393807557.db2.gz RBLDTAZZTDDSMB-OAHLLOKOSA-N 0 3 298.390 2.744 20 30 CFEDHN C=CCOCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000338997325 393808253 /nfs/dbraw/zinc/80/82/53/393808253.db2.gz NMDZDCZYGKWJRX-UHFFFAOYSA-N 0 3 279.355 2.872 20 30 CFEDHN C=CCOCCN1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000339059681 393813747 /nfs/dbraw/zinc/81/37/47/393813747.db2.gz HQQBVCKSHIBSIT-DLBZAZTESA-N 0 3 288.435 2.784 20 30 CFEDHN C=CCOCCN1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000339058989 393813846 /nfs/dbraw/zinc/81/38/46/393813846.db2.gz MERJZBAVOSTTRV-HNNXBMFYSA-N 0 3 281.783 2.996 20 30 CFEDHN C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000245737356 393825986 /nfs/dbraw/zinc/82/59/86/393825986.db2.gz LDXIVIPQOKGVHQ-QWHCGFSZSA-N 0 3 268.364 2.684 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc2c(c1C#N)CCC2 ZINC000425253395 393874138 /nfs/dbraw/zinc/87/41/38/393874138.db2.gz KRMFWPCNXXRSQR-DZGCQCFKSA-N 0 3 296.418 2.505 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@H](NCc2ccccc2C#N)C1(C)C ZINC000345717426 393914281 /nfs/dbraw/zinc/91/42/81/393914281.db2.gz YXPWXEOUXPSTNM-TUKIKUTGSA-N 0 3 258.365 2.707 20 30 CFEDHN COc1ccccc1[C@H](NC(=O)C(C)C#N)c1ccco1 ZINC000426972346 393891123 /nfs/dbraw/zinc/89/11/23/393891123.db2.gz OCDBECGRCPLFTJ-NHYWBVRUSA-N 0 3 284.315 2.653 20 30 CFEDHN C=CC[C@@H](C(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000427066690 393891400 /nfs/dbraw/zinc/89/14/00/393891400.db2.gz HCWGGQYGSDYUJL-QGZVFWFLSA-N 0 3 286.419 2.901 20 30 CFEDHN CN(C)CCNc1nc2c(cc1C#N)CCCC2(C)C ZINC000428107297 393896595 /nfs/dbraw/zinc/89/65/95/393896595.db2.gz KUCNXQYCUGFPGN-UHFFFAOYSA-N 0 3 272.396 2.541 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@](O)(CC)C1 ZINC000428416904 393897868 /nfs/dbraw/zinc/89/78/68/393897868.db2.gz BPGXHPSYFITWLF-MRXNPFEDSA-N 0 3 261.365 2.598 20 30 CFEDHN CC(C)[C@@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000470732347 393901075 /nfs/dbraw/zinc/90/10/75/393901075.db2.gz INTCJBYUUQSZFD-DZGCQCFKSA-N 0 3 258.365 2.777 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000114729350 393902339 /nfs/dbraw/zinc/90/23/39/393902339.db2.gz NQHPLYDXNBQJIH-OAHLLOKOSA-N 0 3 279.428 2.507 20 30 CFEDHN CC(C)[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416339122 393907015 /nfs/dbraw/zinc/90/70/15/393907015.db2.gz GEJVXWYGCHUSTE-IRXDYDNUSA-N 0 3 299.418 2.638 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nn(C)c2ccccc12 ZINC000684767945 542851161 /nfs/dbraw/zinc/85/11/61/542851161.db2.gz VKEXFRLDQWTPIF-GUYCJALGSA-N 0 3 285.391 2.644 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000346206772 393923387 /nfs/dbraw/zinc/92/33/87/393923387.db2.gz YTTLWUHIJOXNMD-NHYWBVRUSA-N 0 3 283.306 2.586 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000684907638 542868431 /nfs/dbraw/zinc/86/84/31/542868431.db2.gz MWKOJDINIVPDPU-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C[C@@H](CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346241201 393924441 /nfs/dbraw/zinc/92/44/41/393924441.db2.gz NTWGUQPTBNTDOH-GJZGRUSLSA-N 0 3 299.418 2.673 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346272639 393925184 /nfs/dbraw/zinc/92/51/84/393925184.db2.gz ZOWLAIHSIQWLPM-AWEZNQCLSA-N 0 3 277.412 2.616 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000347076567 393936470 /nfs/dbraw/zinc/93/64/70/393936470.db2.gz UBFAMZNELMOHJU-RKDXNWHRSA-N 0 3 268.263 2.625 20 30 CFEDHN C[C@H](C#N)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000347079991 393936631 /nfs/dbraw/zinc/93/66/31/393936631.db2.gz WAMILIUHFZKUTB-WBVHZDCISA-N 0 3 299.418 2.735 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000348311008 393951452 /nfs/dbraw/zinc/95/14/52/393951452.db2.gz YJURRQXMBNFRLF-JKSUJKDBSA-N 0 3 286.419 2.783 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCCCCC1 ZINC000121063372 393947216 /nfs/dbraw/zinc/94/72/16/393947216.db2.gz FMYZUKUBYNHQCH-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000435725250 394018614 /nfs/dbraw/zinc/01/86/14/394018614.db2.gz GAJFDEFLLRQYDS-IUODEOHRSA-N 0 3 294.326 2.805 20 30 CFEDHN C=CCOc1cccc(CN(C)CCN(C)C2CC2)c1 ZINC000349358729 393968748 /nfs/dbraw/zinc/96/87/48/393968748.db2.gz YVCXDNOAAXIXNR-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@H]1O ZINC000349406347 393969621 /nfs/dbraw/zinc/96/96/21/393969621.db2.gz KUKGSOFBDBRRCV-RHSMWYFYSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000123523299 393982620 /nfs/dbraw/zinc/98/26/20/393982620.db2.gz VFPFVPWKQYLMCB-GJZGRUSLSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCCN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353156915 394025658 /nfs/dbraw/zinc/02/56/58/394025658.db2.gz UHHKWKCKXXHGJG-HNNXBMFYSA-N 0 3 265.328 2.770 20 30 CFEDHN COC(=O)[C@H]1CC12CCN(Cc1ccc(C#N)c(C)c1)CC2 ZINC000487879210 394027015 /nfs/dbraw/zinc/02/70/15/394027015.db2.gz QKFXYSLEAOEQKX-MRXNPFEDSA-N 0 3 298.386 2.642 20 30 CFEDHN CC(C)O[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C1(C)C ZINC000274203854 394040127 /nfs/dbraw/zinc/04/01/27/394040127.db2.gz JBOQBSQRJZESDW-ZIAGYGMSSA-N 0 3 262.353 2.833 20 30 CFEDHN N#Cc1csc(CN2CCN(C3CCCC3)CC2)c1 ZINC000126983681 394040274 /nfs/dbraw/zinc/04/02/74/394040274.db2.gz KURNGDVZQBULOV-UHFFFAOYSA-N 0 3 275.421 2.680 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1OC(F)F)CC(C)(C)O ZINC000437161851 394048132 /nfs/dbraw/zinc/04/81/32/394048132.db2.gz YTICPJUVXUPFKI-UHFFFAOYSA-N 0 3 298.333 2.752 20 30 CFEDHN C#C[C@H](CC)NCc1cn(C)nc1-c1ccccc1 ZINC000491350762 394048807 /nfs/dbraw/zinc/04/88/07/394048807.db2.gz QCJORYCQBQTETF-OAHLLOKOSA-N 0 3 253.349 2.589 20 30 CFEDHN C#C[C@@H](NC[C@@H](O)c1ccc(Br)cc1)C(C)C ZINC000491385770 394049607 /nfs/dbraw/zinc/04/96/07/394049607.db2.gz SEFWSLBCEZYSHB-ZIAGYGMSSA-N 0 3 296.208 2.730 20 30 CFEDHN C#CCN(CCc1cn[nH]c1)[C@H]1CCc2ccccc21 ZINC000491404193 394049799 /nfs/dbraw/zinc/04/97/99/394049799.db2.gz AQESIHUTEVWUIZ-KRWDZBQOSA-N 0 3 265.360 2.575 20 30 CFEDHN CCCCN(CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000437399385 394055378 /nfs/dbraw/zinc/05/53/78/394055378.db2.gz WZCWMNZQWZTACI-UHFFFAOYSA-N 0 3 298.333 2.754 20 30 CFEDHN CC[C@H](N[C@H](C)Cn1cccn1)c1ccc(C#N)cc1 ZINC000278699211 394062601 /nfs/dbraw/zinc/06/26/01/394062601.db2.gz KXDHJWWPGBOHHR-CJNGLKHVSA-N 0 3 268.364 2.884 20 30 CFEDHN CC[C@H](N[C@@H](COC)[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000278726805 394062940 /nfs/dbraw/zinc/06/29/40/394062940.db2.gz IWRTVQBYKNUSPU-ULQDDVLXSA-N 0 3 288.391 2.793 20 30 CFEDHN CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000279301708 394066127 /nfs/dbraw/zinc/06/61/27/394066127.db2.gz QICDLYTXUXCKTR-OCCSQVGLSA-N 0 3 289.379 2.875 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355786073 394070521 /nfs/dbraw/zinc/07/05/21/394070521.db2.gz RSZAIEIEOMCGKM-RBSFLKMASA-N 0 3 266.429 2.777 20 30 CFEDHN Cc1ccncc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000492635179 394073145 /nfs/dbraw/zinc/07/31/45/394073145.db2.gz YOVVZVQHMDADDE-GFCCVEGCSA-N 0 3 290.326 2.767 20 30 CFEDHN CC(C)[C@H]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000438488559 394079316 /nfs/dbraw/zinc/07/93/16/394079316.db2.gz DFAGYDIJENVNFW-DOTOQJQBSA-N 0 3 297.402 2.641 20 30 CFEDHN Cc1c(C#N)c(N(C)C[C@@H]2CCCN2C)nc2ccccc12 ZINC000420630950 394121573 /nfs/dbraw/zinc/12/15/73/394121573.db2.gz FXNGZCWGOJCWEZ-AWEZNQCLSA-N 0 3 294.402 2.945 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\c2cccnc2C)CC1 ZINC000493019078 394125529 /nfs/dbraw/zinc/12/55/29/394125529.db2.gz KXGPQUCFHTVABB-SREVYHEPSA-N 0 3 299.418 2.560 20 30 CFEDHN CC(C)N1CCC[C@@H](NC(=O)/C=C/c2cccc(C#N)c2)C1 ZINC000493025436 394128523 /nfs/dbraw/zinc/12/85/23/394128523.db2.gz OXROXPTZFVRXND-KBOKABMXSA-N 0 3 297.402 2.560 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(C#N)CC1 ZINC000359361546 394130728 /nfs/dbraw/zinc/13/07/28/394130728.db2.gz NUYPMYIVZZQDJS-HNNXBMFYSA-N 0 3 299.349 2.613 20 30 CFEDHN CCc1ccc([C@H](CO)NCCCSCC#N)cc1 ZINC000359535766 394136889 /nfs/dbraw/zinc/13/68/89/394136889.db2.gz IRDSEXHTNQTKFH-HNNXBMFYSA-N 0 3 278.421 2.519 20 30 CFEDHN CCOc1cccc(CNCC2CCC(C#N)CC2)n1 ZINC000441375198 394137179 /nfs/dbraw/zinc/13/71/79/394137179.db2.gz XSFYXVWURCBXTD-UHFFFAOYSA-N 0 3 273.380 2.900 20 30 CFEDHN C[C@H]1CN(c2ccc(C#N)c(Cl)c2)[C@@H](C)CN1C ZINC000443515755 394143271 /nfs/dbraw/zinc/14/32/71/394143271.db2.gz DHHLQNUCZNRTMJ-QWRGUYRKSA-N 0 3 263.772 2.740 20 30 CFEDHN COC[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)OC ZINC000360875090 394160724 /nfs/dbraw/zinc/16/07/24/394160724.db2.gz WGOTYRDFXKFHSX-WBVHZDCISA-N 0 3 288.391 2.577 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](CCO)CC1 ZINC000421020689 394161468 /nfs/dbraw/zinc/16/14/68/394161468.db2.gz RPEFOTNYOBDURH-CQSZACIVSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCOc1ccc(CNCCC#CC)cc1OC ZINC000360955964 394162382 /nfs/dbraw/zinc/16/23/82/394162382.db2.gz FQTDULVPLSSZLO-UHFFFAOYSA-N 0 3 259.349 2.763 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1F ZINC000421355867 394197405 /nfs/dbraw/zinc/19/74/05/394197405.db2.gz JVAQYXKZHXAYAT-DLBZAZTESA-N 0 3 297.333 2.712 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NCC(C)C ZINC000150902142 394255765 /nfs/dbraw/zinc/25/57/65/394255765.db2.gz YZRYHNWBUBSGGU-AWEZNQCLSA-N 0 3 254.418 2.825 20 30 CFEDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000421368960 394205234 /nfs/dbraw/zinc/20/52/34/394205234.db2.gz VGWGMHKSCXJPHC-ABAIWWIYSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](n2cccn2)C1 ZINC000291772965 394258183 /nfs/dbraw/zinc/25/81/83/394258183.db2.gz LTYAVZARJUBPKU-CZUORRHYSA-N 0 3 266.348 2.763 20 30 CFEDHN C=C(Cl)CN[C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366085296 394239725 /nfs/dbraw/zinc/23/97/25/394239725.db2.gz JRMSGIZNRGXFRU-NEPJUHHUSA-N 0 3 253.777 2.788 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000366178480 394240525 /nfs/dbraw/zinc/24/05/25/394240525.db2.gz LOUNTAVRKGDADC-SJLPKXTDSA-N 0 3 297.402 2.615 20 30 CFEDHN C=CCN1CCC(N[C@@H]2CCCc3cccnc32)CC1 ZINC000684954557 542876581 /nfs/dbraw/zinc/87/65/81/542876581.db2.gz ASGLKJDVBCPIGI-MRXNPFEDSA-N 0 3 271.408 2.699 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000421333707 394189913 /nfs/dbraw/zinc/18/99/13/394189913.db2.gz OSCSWBYLVXGHTF-OAHLLOKOSA-N 0 3 287.338 2.683 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CCc2ccccc2)cc1F ZINC000421340280 394191779 /nfs/dbraw/zinc/19/17/79/394191779.db2.gz ICLPRAWUHAOWHV-QGZVFWFLSA-N 0 3 298.361 2.781 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)c(F)c2)c(C)o1 ZINC000421343790 394192285 /nfs/dbraw/zinc/19/22/85/394192285.db2.gz QXMDFNRJDITSPA-UHFFFAOYSA-N 0 3 273.311 2.635 20 30 CFEDHN C#CCCN1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000363479868 394196216 /nfs/dbraw/zinc/19/62/16/394196216.db2.gz KQSSQYBEFVKSNU-ZDUSSCGKSA-N 0 3 259.349 2.516 20 30 CFEDHN C=C(C)CNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000156620591 394336335 /nfs/dbraw/zinc/33/63/35/394336335.db2.gz WLCBHUJWSPGHFK-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN OC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000293181738 394281778 /nfs/dbraw/zinc/28/17/78/394281778.db2.gz PQTLMMAZQOTMFG-OAHLLOKOSA-N 0 3 277.795 2.786 20 30 CFEDHN C=C(C)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000154381302 394296656 /nfs/dbraw/zinc/29/66/56/394296656.db2.gz QTLWYPYMVXOHNM-HNNXBMFYSA-N 0 3 290.382 2.730 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2scnc2C)CC1 ZINC000372253181 394309141 /nfs/dbraw/zinc/30/91/41/394309141.db2.gz BTEOPROWRSMDMT-UHFFFAOYSA-N 0 3 293.436 2.566 20 30 CFEDHN COC(=O)C1(CN2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000450654903 394311442 /nfs/dbraw/zinc/31/14/42/394311442.db2.gz TTWAZOWFHUWXSK-UHFFFAOYSA-N 0 3 296.370 2.601 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493780658 394314879 /nfs/dbraw/zinc/31/48/79/394314879.db2.gz DKJVLZMWNIWWCO-ZPUOCTKUSA-N 0 3 297.402 2.513 20 30 CFEDHN CC#CCCN1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000155993705 394327148 /nfs/dbraw/zinc/32/71/48/394327148.db2.gz GTFDFLHDJAGDNQ-AWEZNQCLSA-N 0 3 273.376 2.907 20 30 CFEDHN CN(Cc1cn2ccccc2c1C#N)CC1CCOCC1 ZINC000156187340 394329993 /nfs/dbraw/zinc/32/99/93/394329993.db2.gz VTZCXTRDBDZERA-UHFFFAOYSA-N 0 3 283.375 2.669 20 30 CFEDHN CC#CCCN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000156604525 394336238 /nfs/dbraw/zinc/33/62/38/394336238.db2.gz OEERFVLCPGYIJF-UHFFFAOYSA-N 0 3 290.432 2.664 20 30 CFEDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(C#N)cc1OC(F)F ZINC000494236191 394346245 /nfs/dbraw/zinc/34/62/45/394346245.db2.gz BOBRXZRKOGFJMW-MEBBXXQBSA-N 0 3 296.317 2.817 20 30 CFEDHN CCC(=O)CCCN(C)CCOCc1ccc(C#N)cc1 ZINC000451037298 394349133 /nfs/dbraw/zinc/34/91/33/394349133.db2.gz HWKMVVHVHXHSPN-UHFFFAOYSA-N 0 3 288.391 2.766 20 30 CFEDHN C=CCN1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000497143554 394365220 /nfs/dbraw/zinc/36/52/20/394365220.db2.gz HMXHBULJLPRNJN-UHFFFAOYSA-N 0 3 280.412 2.895 20 30 CFEDHN N#Cc1cccnc1NC[C@H]1CCN1C1CCCCC1 ZINC000528112891 394392970 /nfs/dbraw/zinc/39/29/70/394392970.db2.gz FTRBFPHXUREPHB-OAHLLOKOSA-N 0 3 270.380 2.772 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCC#Cc2ccccc2)C1(C)C ZINC000451490995 394376509 /nfs/dbraw/zinc/37/65/09/394376509.db2.gz PHARXYZDDGSWJI-RDJZCZTQSA-N 0 3 257.377 2.831 20 30 CFEDHN CC(C)(CCC#N)CNCc1nncn1-c1ccccc1 ZINC000174265914 394378213 /nfs/dbraw/zinc/37/82/13/394378213.db2.gz IIGPQSQLFJESHU-UHFFFAOYSA-N 0 3 283.379 2.687 20 30 CFEDHN C[C@@H]1CC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)O1 ZINC000453400822 394396983 /nfs/dbraw/zinc/39/69/83/394396983.db2.gz DEJASWXHGASIDE-XFJVYGCCSA-N 0 3 256.349 2.703 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(SC)cc1 ZINC000685007572 542887180 /nfs/dbraw/zinc/88/71/80/542887180.db2.gz VTYCKEDLOXQSMV-RISCZKNCSA-N 0 3 251.395 2.996 20 30 CFEDHN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000453419916 394401500 /nfs/dbraw/zinc/40/15/00/394401500.db2.gz XEJNVEDMRXOREV-UHIISALHSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@@H](NCC12CC(C1)CO2)c1ccc(C#N)c(F)c1 ZINC000527979169 394434765 /nfs/dbraw/zinc/43/47/65/394434765.db2.gz JPVZMZDSKVGYHR-RWWNRMGGSA-N 0 3 260.312 2.527 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457097924 394440484 /nfs/dbraw/zinc/44/04/84/394440484.db2.gz SPNZWNNVPWROQL-KGLIPLIRSA-N 0 3 252.402 2.530 20 30 CFEDHN C[C@H](O)CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000538469407 394603950 /nfs/dbraw/zinc/60/39/50/394603950.db2.gz SNVRFJJUBUQSND-AWEZNQCLSA-N 0 3 260.381 2.809 20 30 CFEDHN CN(CCC(C)(C)C#N)Cc1ccc2c(c1)OCCO2 ZINC000540664991 394650865 /nfs/dbraw/zinc/65/08/65/394650865.db2.gz TXNGPMLZTRAKRH-UHFFFAOYSA-N 0 3 274.364 2.829 20 30 CFEDHN CC[C@@H](C(=O)N(C)c1cccc(C#N)c1)N(CC)CC ZINC000545181881 394781112 /nfs/dbraw/zinc/78/11/12/394781112.db2.gz VFMUVGJKTMVDQV-HNNXBMFYSA-N 0 3 273.380 2.641 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000171512439 335067935 /nfs/dbraw/zinc/06/79/35/335067935.db2.gz YUFYBLFTPXLGCY-IRXDYDNUSA-N 0 3 290.451 2.663 20 30 CFEDHN C[C@H](N[C@H]1CCn2ccnc2C1)c1ccc(C#N)cc1F ZINC000547979800 394900637 /nfs/dbraw/zinc/90/06/37/394900637.db2.gz MDKWPMDRWVLOOI-AAEUAGOBSA-N 0 3 284.338 2.559 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@H](c1cccs1)C1CC1 ZINC000594427200 395103340 /nfs/dbraw/zinc/10/33/40/395103340.db2.gz GSTNWHRMOVGOQM-OCCSQVGLSA-N 0 3 291.420 2.727 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnn(-c2ccccc2C)c1 ZINC000647215869 395233236 /nfs/dbraw/zinc/23/32/36/395233236.db2.gz KIYCHTPXAVNVQN-INIZCTEOSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1cncnc1OC ZINC000647218495 395234586 /nfs/dbraw/zinc/23/45/86/395234586.db2.gz QHEZVFFYYYZAQE-INIZCTEOSA-N 0 3 283.375 2.762 20 30 CFEDHN C=CCC[C@H](CO)NCc1ncccc1C(F)(F)F ZINC000648821185 395326923 /nfs/dbraw/zinc/32/69/23/395326923.db2.gz SNNYPNOUGOGNNX-SNVBAGLBSA-N 0 3 274.286 2.517 20 30 CFEDHN C=C(C)[C@H](CO)N1CCS[C@H](c2ccccc2)C1 ZINC000649316935 395472056 /nfs/dbraw/zinc/47/20/56/395472056.db2.gz AYCXVXSZDCHJFD-GJZGRUSLSA-N 0 3 263.406 2.714 20 30 CFEDHN C=CCCCCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000649650461 395545600 /nfs/dbraw/zinc/54/56/00/395545600.db2.gz BZHULQWSXNWEKQ-KRWDZBQOSA-N 0 3 286.419 2.776 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000183801374 543040348 /nfs/dbraw/zinc/04/03/48/543040348.db2.gz MXWMUSVKNCCZKN-CYBMUJFWSA-N 0 3 283.799 2.896 20 30 CFEDHN OCC[C@@H]1CCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000286022954 296547598 /nfs/dbraw/zinc/54/75/98/296547598.db2.gz HMPMTANQGOMMGI-GOEBONIOSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CCOc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000426373951 397573722 /nfs/dbraw/zinc/57/37/22/397573722.db2.gz VFIQYCFRIXAKHJ-UHFFFAOYSA-N 0 3 296.370 2.910 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000650852744 413201611 /nfs/dbraw/zinc/20/16/11/413201611.db2.gz PKUHODMLVOALNU-DZGCQCFKSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCCNC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000663447156 413208046 /nfs/dbraw/zinc/20/80/46/413208046.db2.gz DXNQCUMUZHMJFY-MRXNPFEDSA-N 0 3 289.423 2.727 20 30 CFEDHN Cc1ccc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000825158467 782003019 /nfs/dbraw/zinc/00/30/19/782003019.db2.gz LRCOXLLUPGKVMD-NUBYWOLOSA-N 0 3 253.305 2.736 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)C(C)C#N)CC3 ZINC000336148710 292299109 /nfs/dbraw/zinc/29/91/09/292299109.db2.gz QPQWSHUPNDCAQF-RYUDHWBXSA-N 0 3 281.359 2.610 20 30 CFEDHN Cc1cc(NC[C@@H]2N(C)CCCC2(C)C)cc(C#N)n1 ZINC000343055485 154098715 /nfs/dbraw/zinc/09/87/15/154098715.db2.gz SZLKKUUOBSOMOA-HNNXBMFYSA-N 0 3 272.396 2.794 20 30 CFEDHN CN(C)[C@@H](CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000343088750 154111331 /nfs/dbraw/zinc/11/13/31/154111331.db2.gz ZYPYRQLECBJFSN-MRXNPFEDSA-N 0 3 299.443 2.882 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000343107427 154115692 /nfs/dbraw/zinc/11/56/92/154115692.db2.gz RAIKXMZHRIHAFO-OAHLLOKOSA-N 0 3 299.443 2.882 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000343164566 154131490 /nfs/dbraw/zinc/13/14/90/154131490.db2.gz WQYVENOKEJAZDC-UHFFFAOYSA-N 0 3 283.350 2.923 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NCCN1CCC[C@@H](C)C1 ZINC000663631435 413296548 /nfs/dbraw/zinc/29/65/48/413296548.db2.gz TVTQLISAIWQZKR-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000660420239 413302407 /nfs/dbraw/zinc/30/24/07/413302407.db2.gz IHCLBUOZJBUMJX-MRXNPFEDSA-N 0 3 287.407 2.526 20 30 CFEDHN C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000355417471 155003442 /nfs/dbraw/zinc/00/34/42/155003442.db2.gz YUCSVROXTFVDRS-IHRRRGAJSA-N 0 3 285.391 2.608 20 30 CFEDHN CC(C)C[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000355753925 155076621 /nfs/dbraw/zinc/07/66/21/155076621.db2.gz DEBXDMXLLFGEOE-CQSZACIVSA-N 0 3 272.396 2.510 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C#N)c1 ZINC000366922619 156255341 /nfs/dbraw/zinc/25/53/41/156255341.db2.gz PUGSPHRWEKQRJY-SJORKVTESA-N 0 3 297.402 2.566 20 30 CFEDHN Cc1ccc(N2CC[C@H](NCc3cc(C#N)n(C)c3)C2)cc1 ZINC000373616001 157013286 /nfs/dbraw/zinc/01/32/86/157013286.db2.gz OGRDZWZHSRHDAS-INIZCTEOSA-N 0 3 294.402 2.574 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000373823237 157034545 /nfs/dbraw/zinc/03/45/45/157034545.db2.gz BEXZBNAFNZACEK-GOSISDBHSA-N 0 3 293.370 2.744 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000373819275 157034560 /nfs/dbraw/zinc/03/45/60/157034560.db2.gz WWMZVNTXHVNXMU-FVQBIDKESA-N 0 3 288.366 2.943 20 30 CFEDHN COc1cc(CN2CCCO[C@H]3CCC[C@H]32)ccc1C#N ZINC000374203678 157081134 /nfs/dbraw/zinc/08/11/34/157081134.db2.gz FBFACKDDSMSXKJ-CVEARBPZSA-N 0 3 286.375 2.710 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](OC)CC1 ZINC000374665835 157147068 /nfs/dbraw/zinc/14/70/68/157147068.db2.gz WEHRAQOJMIERQJ-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN N#Cc1cccnc1N1CCCN(CCCCCF)CC1 ZINC000375356535 157233876 /nfs/dbraw/zinc/23/38/76/157233876.db2.gz RDFLSFXCIYYYRR-UHFFFAOYSA-N 0 3 290.386 2.605 20 30 CFEDHN Cc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1C#N ZINC000375825601 157291394 /nfs/dbraw/zinc/29/13/94/157291394.db2.gz QDNCUKOQOZJPDR-RHSMWYFYSA-N 0 3 297.402 2.566 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000376371417 157347055 /nfs/dbraw/zinc/34/70/55/157347055.db2.gz UQSWOOIOTLTZDL-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cocc1C ZINC001085298531 782010402 /nfs/dbraw/zinc/01/04/02/782010402.db2.gz ZKVUCFOTKKZJBH-ZIAGYGMSSA-N 0 3 296.798 2.971 20 30 CFEDHN C=CCN1CCC(Nc2ncc(Cl)c(OCC)n2)CC1 ZINC000651308358 413401186 /nfs/dbraw/zinc/40/11/86/413401186.db2.gz MIXFGSRKTQZWDS-UHFFFAOYSA-N 0 3 296.802 2.591 20 30 CFEDHN C=CCCn1cc(CNC[C@H](C)c2ccccc2)nn1 ZINC000657291862 413402899 /nfs/dbraw/zinc/40/28/99/413402899.db2.gz YBJOVTQHQSFYMB-AWEZNQCLSA-N 0 3 270.380 2.748 20 30 CFEDHN C=CCCn1cc(CNCCC2CCCCC2)nn1 ZINC000657299997 413418357 /nfs/dbraw/zinc/41/83/57/413418357.db2.gz FJDFKLTUVBVJEO-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCc1cc(C#N)cs1 ZINC000344363279 162023765 /nfs/dbraw/zinc/02/37/65/162023765.db2.gz SUMKFFPSBACKIX-OLZOCXBDSA-N 0 3 250.367 2.667 20 30 CFEDHN CC(C)CC[C@](C)(O)CNCc1ccc(C#N)cc1F ZINC000344442695 162044187 /nfs/dbraw/zinc/04/41/87/162044187.db2.gz RLIAKBDTNYRSRN-INIZCTEOSA-N 0 3 278.371 2.974 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344645733 162089989 /nfs/dbraw/zinc/08/99/89/162089989.db2.gz PWELHNYNFOAZII-MRXNPFEDSA-N 0 3 299.418 2.717 20 30 CFEDHN N#Cc1ccc(CNCCc2c[nH]c3ncccc23)c(F)c1 ZINC000344839501 162130962 /nfs/dbraw/zinc/13/09/62/162130962.db2.gz PKPXVXRROFGTHB-UHFFFAOYSA-N 0 3 294.333 2.906 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)Cc1ccccc1 ZINC000344841098 162132094 /nfs/dbraw/zinc/13/20/94/162132094.db2.gz CKMGBJUCERLJJP-ACJLOTCBSA-N 0 3 298.361 2.779 20 30 CFEDHN CCN1C[C@H](C)N(c2ccc(F)cc2C#N)C[C@H]1C ZINC000345165564 162192794 /nfs/dbraw/zinc/19/27/94/162192794.db2.gz AVNRNOBHKDEVMO-NEPJUHHUSA-N 0 3 261.344 2.616 20 30 CFEDHN C[C@H](N[C@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000346154369 162334126 /nfs/dbraw/zinc/33/41/26/162334126.db2.gz GDSMLZJTQJIZCC-FZMZJTMJSA-N 0 3 273.355 2.585 20 30 CFEDHN C[C@H]1CCCC[C@H]1CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000346161380 162334152 /nfs/dbraw/zinc/33/41/52/162334152.db2.gz XQLCMWBWVNUAGY-RDJZCZTQSA-N 0 3 298.434 2.902 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000346159559 162335104 /nfs/dbraw/zinc/33/51/04/162335104.db2.gz HQDWGEFLFUGGKP-YOEHRIQHSA-N 0 3 297.402 2.566 20 30 CFEDHN C[C@H](NCC[C@H](C)[S@@](C)=O)c1ccc(C#N)c(F)c1 ZINC000346200042 162350030 /nfs/dbraw/zinc/35/00/30/162350030.db2.gz QTVGYCLPUPBIEJ-ZHYXMNDGSA-N 0 3 282.384 2.505 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCCC[C@H]2C)nn1 ZINC000657329403 413453966 /nfs/dbraw/zinc/45/39/66/413453966.db2.gz QLADUIXQKHKNHF-KGLIPLIRSA-N 0 3 262.401 2.770 20 30 CFEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(C#N)cs1 ZINC000350003467 163050634 /nfs/dbraw/zinc/05/06/34/163050634.db2.gz AXTXXQNKMMZEIY-HIFRSBDPSA-N 0 3 292.404 2.831 20 30 CFEDHN CCC[C@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000350314658 163072443 /nfs/dbraw/zinc/07/24/43/163072443.db2.gz NVYGZDGXAHIYMZ-LBPRGKRZSA-N 0 3 256.353 2.826 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCC(F)(F)C2)n1 ZINC000352875301 163256731 /nfs/dbraw/zinc/25/67/31/163256731.db2.gz YAPNXJKLLCBOCA-QMMMGPOBSA-N 0 3 257.309 2.540 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(CO)c(F)c1)CC2 ZINC000353271440 163334730 /nfs/dbraw/zinc/33/47/30/163334730.db2.gz YKROTVJMVBWXMW-SFHVURJKSA-N 0 3 296.345 2.967 20 30 CFEDHN CC[C@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000353568078 163397104 /nfs/dbraw/zinc/39/71/04/163397104.db2.gz AFXRYGMDOBJMJM-ZYHUDNBSSA-N 0 3 250.317 2.773 20 30 CFEDHN Cc1nnc(CCN[C@H]2CCc3ccc(C#N)cc32)s1 ZINC000353570396 163397374 /nfs/dbraw/zinc/39/73/74/163397374.db2.gz SLEHSCPQHFXPBW-AWEZNQCLSA-N 0 3 284.388 2.538 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C)on1 ZINC000284910021 196154862 /nfs/dbraw/zinc/15/48/62/196154862.db2.gz CPAJXAGBQSERJB-DYEKYZERSA-N 0 3 250.342 2.615 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)CCCc2cccnc2)nn1 ZINC000653759334 413485860 /nfs/dbraw/zinc/48/58/60/413485860.db2.gz IPDCPACAQVOLPW-OAHLLOKOSA-N 0 3 299.422 2.750 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806153 413510707 /nfs/dbraw/zinc/51/07/07/413510707.db2.gz KFDIVKLOSLOEMA-QGZVFWFLSA-N 0 3 297.402 2.746 20 30 CFEDHN C=CCCn1cc(CNCC2(C)CCCCC2)nn1 ZINC000657395260 413549424 /nfs/dbraw/zinc/54/94/24/413549424.db2.gz SXUZMURJPFDYII-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)s1 ZINC000285067760 196188778 /nfs/dbraw/zinc/18/87/78/196188778.db2.gz LUUFQYLZHCCFDJ-UONOGXRCSA-N 0 3 262.378 2.763 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000651686093 413568595 /nfs/dbraw/zinc/56/85/95/413568595.db2.gz PYXUMSJVBSZVNP-LSDHHAIUSA-N 0 3 293.432 2.795 20 30 CFEDHN C=CCCn1cc(CNC2(C)CCC(F)(F)CC2)nn1 ZINC000657433129 413597375 /nfs/dbraw/zinc/59/73/75/413597375.db2.gz XTQQUXXAPFTLRN-UHFFFAOYSA-N 0 3 284.354 2.912 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2ncccc2N(C)C)C1 ZINC000651813299 413656729 /nfs/dbraw/zinc/65/67/29/413656729.db2.gz DVACHBYUWWLDGA-UONOGXRCSA-N 0 3 259.397 2.982 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2ccc(OC)nc2OC)C1 ZINC000651815119 413661134 /nfs/dbraw/zinc/66/11/34/413661134.db2.gz XRANKHWYARKCJM-JSGCOSHPSA-N 0 3 276.380 2.933 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2ccccc2S(C)(=O)=O)C1 ZINC000651830686 413671952 /nfs/dbraw/zinc/67/19/52/413671952.db2.gz GWAHMMCMUWQHPT-UKRRQHHQSA-N 0 3 293.432 2.925 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(F)c(F)c1F ZINC000657496745 413688165 /nfs/dbraw/zinc/68/81/65/413688165.db2.gz XBVQLXRPBHIKOK-CABZTGNLSA-N 0 3 271.282 2.785 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000661009300 413704997 /nfs/dbraw/zinc/70/49/97/413704997.db2.gz HFBDYBGRQPZPQG-CWRNSKLLSA-N 0 3 289.423 2.529 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cncnc1OC ZINC000657530179 413712312 /nfs/dbraw/zinc/71/23/12/413712312.db2.gz NFLVCEFSGOLIAJ-JSGCOSHPSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000664368491 413715362 /nfs/dbraw/zinc/71/53/62/413715362.db2.gz SPLQFXIZDQNYHD-STQMWFEESA-N 0 3 279.428 2.656 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000661048646 413721341 /nfs/dbraw/zinc/72/13/41/413721341.db2.gz NWRATRFFSDAGPV-GJZGRUSLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCOc1cccc(CNCCO[C@H]2CC2(F)F)c1 ZINC000657617373 413795683 /nfs/dbraw/zinc/79/56/83/413795683.db2.gz AFRFFUXBSZEZOB-AWEZNQCLSA-N 0 3 283.318 2.765 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C)on1 ZINC000661119056 413767889 /nfs/dbraw/zinc/76/78/89/413767889.db2.gz PGDZMXJCJGROMS-CHWSQXEVSA-N 0 3 277.368 2.646 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C)on1 ZINC000661119057 413768338 /nfs/dbraw/zinc/76/83/38/413768338.db2.gz PGDZMXJCJGROMS-OLZOCXBDSA-N 0 3 277.368 2.646 20 30 CFEDHN C=CCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000657583202 413768696 /nfs/dbraw/zinc/76/86/96/413768696.db2.gz GOHBQESQHCIFPL-UHFFFAOYSA-N 0 3 259.328 2.986 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cn2cccnc2n1 ZINC000661118690 413770662 /nfs/dbraw/zinc/77/06/62/413770662.db2.gz JYRLQZXDQRNBEM-HIFRSBDPSA-N 0 3 270.380 2.954 20 30 CFEDHN C=CCCn1cc(CNC2(CC=C)CCCC2)nn1 ZINC000657703423 413869412 /nfs/dbraw/zinc/86/94/12/413869412.db2.gz YCKMVDPMQFJRMZ-UHFFFAOYSA-N 0 3 260.385 2.833 20 30 CFEDHN C=CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000661194189 413817574 /nfs/dbraw/zinc/81/75/74/413817574.db2.gz WUGYFIANJJHWKQ-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCN(C[C@H](O)Cc1cccc(Cl)c1)[C@@H](C)COC ZINC000661240317 413839737 /nfs/dbraw/zinc/83/97/37/413839737.db2.gz NHSGVXHLOQANOG-XJKSGUPXSA-N 0 3 297.826 2.766 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1CCN(CCC)C1 ZINC000661359034 413917671 /nfs/dbraw/zinc/91/76/71/413917671.db2.gz FDKDXAMQYCMPAT-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@]2(C)OC)cc1OC ZINC000657787584 413930722 /nfs/dbraw/zinc/93/07/22/413930722.db2.gz CQQURRKCIRLIQY-CVEARBPZSA-N 0 3 277.364 2.527 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)CC)C1 ZINC000661379175 413936576 /nfs/dbraw/zinc/93/65/76/413936576.db2.gz VJQBPGLTRUYIEQ-MELADBBJSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)CCC)C1 ZINC000661379229 413937357 /nfs/dbraw/zinc/93/73/57/413937357.db2.gz VYDIJGKKFDRDFO-RRFJBIMHSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N2CCCCC2)C1 ZINC000661379138 413939583 /nfs/dbraw/zinc/93/95/83/413939583.db2.gz UOXCAHUOJFRXKB-CABCVRRESA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000661386798 413940692 /nfs/dbraw/zinc/94/06/92/413940692.db2.gz USZQQMWZXVUVHM-ZDUSSCGKSA-N 0 3 286.379 2.863 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000661380841 413942659 /nfs/dbraw/zinc/94/26/59/413942659.db2.gz QLHHWHFQNFQPFO-HNNXBMFYSA-N 0 3 290.382 2.730 20 30 CFEDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000285561600 196327051 /nfs/dbraw/zinc/32/70/51/196327051.db2.gz FWGTTXIATMOEMV-XGWLTEMNSA-N 0 3 299.418 2.902 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)C2CCC(F)CC2)nn1 ZINC000657748445 413907111 /nfs/dbraw/zinc/90/71/11/413907111.db2.gz UJMFTGPQVBXHRT-HSBZDZAISA-N 0 3 280.391 2.861 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nnnn1-c1ccccc1 ZINC000657855491 414006660 /nfs/dbraw/zinc/00/66/60/414006660.db2.gz DUJRKSQCTGCWNY-HOCLYGCPSA-N 0 3 297.406 2.887 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C#N)s2)CCOC1 ZINC000285615459 196344162 /nfs/dbraw/zinc/34/41/62/196344162.db2.gz WDDQHIPLVFXXCT-CYBMUJFWSA-N 0 3 250.367 2.669 20 30 CFEDHN CCC[C@]1(NCc2ccc(C#N)s2)CCOC1 ZINC000285615461 196344207 /nfs/dbraw/zinc/34/42/07/196344207.db2.gz WDDQHIPLVFXXCT-ZDUSSCGKSA-N 0 3 250.367 2.669 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654729937 413985851 /nfs/dbraw/zinc/98/58/51/413985851.db2.gz YENAYYKWUSFWIQ-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)C1 ZINC000661515738 414028230 /nfs/dbraw/zinc/02/82/30/414028230.db2.gz UFORFXJXSZIXAG-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664957737 414033021 /nfs/dbraw/zinc/03/30/21/414033021.db2.gz RBHCTQXZIAGOPZ-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000661571248 414058350 /nfs/dbraw/zinc/05/83/50/414058350.db2.gz RRSMOLYLUUSBQX-UHFFFAOYSA-N 0 3 289.423 2.856 20 30 CFEDHN N#Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000285671209 196361972 /nfs/dbraw/zinc/36/19/72/196361972.db2.gz PKXWRHLQLDNLLX-MRXNPFEDSA-N 0 3 278.359 2.640 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](C3CCCCC3)C2)C1=O ZINC000661578327 414059696 /nfs/dbraw/zinc/05/96/96/414059696.db2.gz KRPKOSHLLOQRBR-JKSUJKDBSA-N 0 3 276.424 2.676 20 30 CFEDHN Cc1noc(C)c1C(C)(C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000285754092 196387733 /nfs/dbraw/zinc/38/77/33/196387733.db2.gz RUMDAGBVPHUIAP-OAHLLOKOSA-N 0 3 299.374 2.721 20 30 CFEDHN CC#CCCCC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655272351 414168665 /nfs/dbraw/zinc/16/86/65/414168665.db2.gz VHDWRRWURDPODA-UHFFFAOYSA-N 0 3 264.413 2.513 20 30 CFEDHN C=CCN(CC(=O)N1CCCC[C@H]1C)C(C)(C)C ZINC000661755527 414192824 /nfs/dbraw/zinc/19/28/24/414192824.db2.gz SNGGRSYZCQWPQV-CYBMUJFWSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCN(CC(=O)NCc1cc(F)cc(F)c1)C(C)(C)C ZINC000661756389 414194705 /nfs/dbraw/zinc/19/47/05/414194705.db2.gz MZPWZRSOOOUXAD-UHFFFAOYSA-N 0 3 296.361 2.868 20 30 CFEDHN C[C@H](O)[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000661771018 414209177 /nfs/dbraw/zinc/20/91/77/414209177.db2.gz HDDQULBNTDDZBF-SWLSCSKDSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000658116425 414213828 /nfs/dbraw/zinc/21/38/28/414213828.db2.gz LAMOIZBOEKWSKI-OAHLLOKOSA-N 0 3 259.328 2.814 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cn2ccccc2n1 ZINC000658208395 414284756 /nfs/dbraw/zinc/28/47/56/414284756.db2.gz ZTDJKSUMEPAGPF-ZDUSSCGKSA-N 0 3 259.353 2.578 20 30 CFEDHN CCC(=O)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000655466916 414288330 /nfs/dbraw/zinc/28/83/30/414288330.db2.gz AAPFBMYLWIQXJE-AWEZNQCLSA-N 0 3 287.363 2.629 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC000665384285 414311084 /nfs/dbraw/zinc/31/10/84/414311084.db2.gz ATDKLVPWGNPASF-OWCLPIDISA-N 0 3 293.455 2.857 20 30 CFEDHN CC(=O)c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1C ZINC000655610391 414338146 /nfs/dbraw/zinc/33/81/46/414338146.db2.gz QBSSDNXCVZYLNI-OAHLLOKOSA-N 0 3 287.363 2.547 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665555059 414371505 /nfs/dbraw/zinc/37/15/05/414371505.db2.gz XJNWDGHJDXYPOC-ZIAGYGMSSA-N 0 3 279.428 2.609 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000658334777 414385237 /nfs/dbraw/zinc/38/52/37/414385237.db2.gz CRRHNWIGLIOAQL-WCQYABFASA-N 0 3 296.798 2.502 20 30 CFEDHN C=CCC[C@@H](O)CNC1(c2cccc(OC)c2)CCC1 ZINC000662108836 414411591 /nfs/dbraw/zinc/41/15/91/414411591.db2.gz AOWLYTJGRJIIRE-OAHLLOKOSA-N 0 3 275.392 2.991 20 30 CFEDHN C=CCOCCNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655757379 414414641 /nfs/dbraw/zinc/41/46/41/414414641.db2.gz GLIBBVJDHMVOGA-UHFFFAOYSA-N 0 3 285.391 2.781 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2c(C3CC3)cnn2C)n1 ZINC000659010739 414429891 /nfs/dbraw/zinc/42/98/91/414429891.db2.gz YMDKJVPJXABCMA-SNVBAGLBSA-N 0 3 286.360 2.553 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCC[C@@H]1C ZINC000662082926 414401726 /nfs/dbraw/zinc/40/17/26/414401726.db2.gz YLBXSZOFAMWARC-SOUVJXGZSA-N 0 3 262.397 2.570 20 30 CFEDHN C=CCCCCCNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000655907221 414490349 /nfs/dbraw/zinc/49/03/49/414490349.db2.gz DRSPFAKVFXVVEU-UHFFFAOYSA-N 0 3 288.395 2.595 20 30 CFEDHN C=CCOc1cccc(CN(C[C@H](C)O)C2CC2)c1 ZINC000656280782 414562303 /nfs/dbraw/zinc/56/23/03/414562303.db2.gz KAIBDWMRKLERCU-ZDUSSCGKSA-N 0 3 261.365 2.597 20 30 CFEDHN C=CCOc1ccc(CN(C[C@H](C)O)C2CC2)cc1OC ZINC000656281238 414562508 /nfs/dbraw/zinc/56/25/08/414562508.db2.gz VJJYZTUSPUFTKF-ZDUSSCGKSA-N 0 3 291.391 2.605 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C[C@@H]1CNC(=O)C1 ZINC000659817896 414566461 /nfs/dbraw/zinc/56/64/61/414566461.db2.gz RDYGBSLJMWCPSS-JTQLQIEISA-N 0 3 284.812 2.526 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000662630428 414582377 /nfs/dbraw/zinc/58/23/77/414582377.db2.gz IXIUOBOLYWVNHA-XJKSGUPXSA-N 0 3 290.382 2.683 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@H](C)CN2CCCCC2)n1 ZINC000044388139 175170155 /nfs/dbraw/zinc/17/01/55/175170155.db2.gz RUXIMNHXXHQLAG-CQSZACIVSA-N 0 3 272.396 2.856 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCN(C2CC2)C1 ZINC000044686192 175232251 /nfs/dbraw/zinc/23/22/51/175232251.db2.gz PQEHUAAAKPRJME-OAHLLOKOSA-N 0 3 272.392 2.578 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cc(Br)cs1 ZINC000044826272 175259302 /nfs/dbraw/zinc/25/93/02/175259302.db2.gz RYKGWFKNFFRNMB-ZETCQYMHSA-N 0 3 287.182 2.629 20 30 CFEDHN C=CCCCN(C)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000077176943 177230098 /nfs/dbraw/zinc/23/00/98/177230098.db2.gz WRJFACJYPJKVQK-INIZCTEOSA-N 0 3 291.391 2.527 20 30 CFEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000078595475 177357516 /nfs/dbraw/zinc/35/75/16/177357516.db2.gz MZCAQODKKAVVGK-NEPJUHHUSA-N 0 3 293.798 2.751 20 30 CFEDHN O=C(CNC(=O)C1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000329241747 227377007 /nfs/dbraw/zinc/37/70/07/227377007.db2.gz NUWOAJLUWXNMQW-CYBMUJFWSA-N 0 3 293.411 2.716 20 30 CFEDHN N#CCN(C(=O)C1CN(C2CCCCC2)C1)C1CCCC1 ZINC000457580919 225013473 /nfs/dbraw/zinc/01/34/73/225013473.db2.gz PRIJWMYFBQHIAO-UHFFFAOYSA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C(=O)Nc1ccccc1CC#N)C(F)(F)F ZINC000344385008 225056783 /nfs/dbraw/zinc/05/67/83/225056783.db2.gz IVWOTNQORUHPSA-MRVPVSSYSA-N 0 3 256.227 2.890 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000344812942 225184994 /nfs/dbraw/zinc/18/49/94/225184994.db2.gz NYCWNMNHKHYYJP-LBPRGKRZSA-N 0 3 265.316 2.524 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000334734239 225293488 /nfs/dbraw/zinc/29/34/88/225293488.db2.gz BRAHWAFFGDNLHM-LLVKDONJSA-N 0 3 292.329 2.906 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000347119369 226031620 /nfs/dbraw/zinc/03/16/20/226031620.db2.gz WUXBCIHCGINNTN-CYBMUJFWSA-N 0 3 256.349 2.975 20 30 CFEDHN Cc1ccc(C[C@H](NC(=O)C(C)C#N)c2ccccn2)cc1 ZINC000347123329 226034548 /nfs/dbraw/zinc/03/45/48/226034548.db2.gz NLQJCJWYXPHYNC-YOEHRIQHSA-N 0 3 293.370 2.950 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000347131281 226038545 /nfs/dbraw/zinc/03/85/45/226038545.db2.gz IWRSUOPPELVTHQ-GFCCVEGCSA-N 0 3 281.315 2.650 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000171736621 335076697 /nfs/dbraw/zinc/07/66/97/335076697.db2.gz VVBGMPRPOODZDG-GDBMZVCRSA-N 0 3 293.455 2.857 20 30 CFEDHN COc1cc(C(=O)C(C#N)c2ccncn2)ccc1Cl ZINC000354468642 227003441 /nfs/dbraw/zinc/00/34/41/227003441.db2.gz PBGRWQQXANERBD-SNVBAGLBSA-N 0 3 287.706 2.629 20 30 CFEDHN Cc1ccc(C[C@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000336499056 227064711 /nfs/dbraw/zinc/06/47/11/227064711.db2.gz OBQOQTGFDWNMJP-DZGCQCFKSA-N 0 3 256.349 2.688 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000352621606 227117515 /nfs/dbraw/zinc/11/75/15/227117515.db2.gz RPBIWVWARSDAHW-JTQLQIEISA-N 0 3 262.740 2.647 20 30 CFEDHN CC(C#N)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000352683626 227159542 /nfs/dbraw/zinc/15/95/42/227159542.db2.gz KXIGWBXSTOLIAW-ZYHUDNBSSA-N 0 3 284.281 2.998 20 30 CFEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)C1 ZINC000329006607 227256729 /nfs/dbraw/zinc/25/67/29/227256729.db2.gz NBWULIDJZBYWRG-UBHSHLNASA-N 0 3 293.411 2.715 20 30 CFEDHN O=C(NC[C@@H]1CC[C@H](O)C1)[C@H]1CCCN1C1CCCC1 ZINC000330013462 228016349 /nfs/dbraw/zinc/01/63/49/228016349.db2.gz MEJGJHOMERZLJS-VHDGCEQUSA-N 0 3 280.412 2.511 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)NCc1cccs1 ZINC000330258647 228082854 /nfs/dbraw/zinc/08/28/54/228082854.db2.gz MRAJGAUFICGPLT-GDLCADMTSA-N 0 3 294.420 2.750 20 30 CFEDHN O=C(CN1CC[C@H](O)C12CCCC2)NCC1CCCCC1 ZINC000330331480 228154163 /nfs/dbraw/zinc/15/41/63/228154163.db2.gz OBSCZLOVYRXXRX-HNNXBMFYSA-N 0 3 294.439 2.903 20 30 CFEDHN Cc1noc(C2CCN(Cc3ccc(CC#N)cc3)CC2)n1 ZINC000332478675 228160588 /nfs/dbraw/zinc/16/05/88/228160588.db2.gz XTFAVCJLIFJMKT-UHFFFAOYSA-N 0 3 296.374 2.824 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000333557700 228204210 /nfs/dbraw/zinc/20/42/10/228204210.db2.gz KLSZLQSTFIVXMG-KWCYVHTRSA-N 0 3 273.384 2.708 20 30 CFEDHN C=CCN(CCO[C@@H]1CC1(F)F)CCc1ccco1 ZINC000660225044 420502424 /nfs/dbraw/zinc/50/24/24/420502424.db2.gz LZOJBISSDXESJF-CYBMUJFWSA-N 0 3 271.307 2.734 20 30 CFEDHN C#CCCOc1ccc(CN2CC=C(COC)CC2)cc1 ZINC000187622807 260042159 /nfs/dbraw/zinc/04/21/59/260042159.db2.gz DBYFMPQBYVYKJG-UHFFFAOYSA-N 0 3 285.387 2.867 20 30 CFEDHN C=CCCN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000363334970 260062360 /nfs/dbraw/zinc/06/23/60/260062360.db2.gz IXEQVHXFGZDALK-UHFFFAOYSA-N 0 3 254.374 2.505 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H](c2ccnc(CC)n2)C1 ZINC000370504694 260066473 /nfs/dbraw/zinc/06/64/73/260066473.db2.gz LAJORNPQUQJWBG-GJZGRUSLSA-N 0 3 289.423 2.546 20 30 CFEDHN C#C[C@@H](NC[C@@H](O)c1cccc(Br)c1)C(C)C ZINC000305900731 260105080 /nfs/dbraw/zinc/10/50/80/260105080.db2.gz BFHMKYIQIHMNKQ-ZIAGYGMSSA-N 0 3 296.208 2.730 20 30 CFEDHN C=CCCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000117872484 260117341 /nfs/dbraw/zinc/11/73/41/260117341.db2.gz CAYTTYVTLMFURN-UHFFFAOYSA-N 0 3 290.382 2.940 20 30 CFEDHN CC(C)[C@](C)(O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000312702236 260192515 /nfs/dbraw/zinc/19/25/15/260192515.db2.gz NYQJCSCFCRBGRI-AQFXKWCLSA-N 0 3 272.392 2.607 20 30 CFEDHN N#Cc1csc(CNCCOCC2CCCC2)c1 ZINC000313261362 260273504 /nfs/dbraw/zinc/27/35/04/260273504.db2.gz AFCARUSPZPHSET-UHFFFAOYSA-N 0 3 264.394 2.916 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449212571 260295770 /nfs/dbraw/zinc/29/57/70/260295770.db2.gz ZUPIZNJOFDPGHS-JOYOIKCWSA-N 0 3 285.309 2.865 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1 ZINC000128242856 260373545 /nfs/dbraw/zinc/37/35/45/260373545.db2.gz DWJWVKLHGYRIFL-CABCVRRESA-N 0 3 261.365 2.500 20 30 CFEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1n1cccn1 ZINC000129112323 260383545 /nfs/dbraw/zinc/38/35/45/260383545.db2.gz HVRDUVKPGZELGF-VXGBXAGGSA-N 0 3 284.201 2.865 20 30 CFEDHN COCCN(Cc1cncs1)CC(C)(C)CCC#N ZINC000448368928 261130275 /nfs/dbraw/zinc/13/02/75/261130275.db2.gz YDCATYXXBDQQDD-UHFFFAOYSA-N 0 3 281.425 2.921 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000248927302 261220880 /nfs/dbraw/zinc/22/08/80/261220880.db2.gz XJSDFXNGJIHWCB-GZBFAFLISA-N 0 3 271.364 2.686 20 30 CFEDHN N#CCCCCN1CCN(CC2CCCCC2)CC1 ZINC000102398189 261232451 /nfs/dbraw/zinc/23/24/51/261232451.db2.gz BNRCYLSHQJTIFL-UHFFFAOYSA-N 0 3 263.429 2.878 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@@H](COC)Cc1ccccc1 ZINC000249048553 261238530 /nfs/dbraw/zinc/23/85/30/261238530.db2.gz HTCKPDOKBAWLPX-SJORKVTESA-N 0 3 277.408 2.503 20 30 CFEDHN CC1(C)[C@H](O)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000361420985 261254906 /nfs/dbraw/zinc/25/49/06/261254906.db2.gz QQPOEZHMOPRJFW-CQSZACIVSA-N 0 3 297.320 2.902 20 30 CFEDHN C[C@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CCCC2)C1 ZINC000102490230 261267073 /nfs/dbraw/zinc/26/70/73/261267073.db2.gz SSCCPFQFKIOEIN-AWEZNQCLSA-N 0 3 291.439 2.697 20 30 CFEDHN N#Cc1c2c(cnc1NC[C@H]1CCCCN1C1CC1)CCC2 ZINC000518760912 261272060 /nfs/dbraw/zinc/27/20/60/261272060.db2.gz PYHVJOXUUBLTMQ-OAHLLOKOSA-N 0 3 296.418 2.871 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2(c3ccccc3)CC2)CC1 ZINC000106040738 261320399 /nfs/dbraw/zinc/32/03/99/261320399.db2.gz IHDZKOIRYTWGKP-UHFFFAOYSA-N 0 3 298.430 2.875 20 30 CFEDHN C#CCNC(=O)CCN[C@H](C)c1oc2ccccc2c1C ZINC000491202772 261368504 /nfs/dbraw/zinc/36/85/04/261368504.db2.gz PTIILPOKCMCPOR-CYBMUJFWSA-N 0 3 284.359 2.531 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000185711490 262067880 /nfs/dbraw/zinc/06/78/80/262067880.db2.gz ZKFBGZOWPBBOIW-ZBFHGGJFSA-N 0 3 284.407 2.854 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCCOc2cccc(F)c2)C1 ZINC000185791112 262071707 /nfs/dbraw/zinc/07/17/07/262071707.db2.gz PBZCPLQCLCWDMT-GXTWGEPZSA-N 0 3 262.328 2.876 20 30 CFEDHN CC[C@H](CC#N)NC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497276096 262131363 /nfs/dbraw/zinc/13/13/63/262131363.db2.gz MTDWFIUTAZXKDT-XJKCOSOUSA-N 0 3 293.411 2.525 20 30 CFEDHN CC#CCCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000497298535 262137873 /nfs/dbraw/zinc/13/78/73/262137873.db2.gz NLPHTBLHKGJXOL-ZIAGYGMSSA-N 0 3 280.412 2.777 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000364151201 262157898 /nfs/dbraw/zinc/15/78/98/262157898.db2.gz RAVJBZZRNDPKBS-DZJNRPSUSA-N 0 3 298.430 2.835 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000364151200 262158214 /nfs/dbraw/zinc/15/82/14/262158214.db2.gz RAVJBZZRNDPKBS-BGTYHANMSA-N 0 3 298.430 2.835 20 30 CFEDHN C=CCCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000120520586 262184684 /nfs/dbraw/zinc/18/46/84/262184684.db2.gz BXZJFTSTMZRYHZ-OAHLLOKOSA-N 0 3 259.397 2.726 20 30 CFEDHN Cc1cccc([C@@H](O)CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000193027510 262214206 /nfs/dbraw/zinc/21/42/06/262214206.db2.gz PUDJQXCQZYNJJI-IMJJTQAJSA-N 0 3 258.365 2.700 20 30 CFEDHN C=CC[C@H](CO)NCc1sccc1Br ZINC000185063336 262300700 /nfs/dbraw/zinc/30/07/00/262300700.db2.gz CWJSJSPGKZRGEM-MRVPVSSYSA-N 0 3 276.199 2.537 20 30 CFEDHN C=CC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000111257360 262258137 /nfs/dbraw/zinc/25/81/37/262258137.db2.gz NIVUTBVICGEYNE-UHFFFAOYSA-N 0 3 289.404 2.846 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000364880368 262263788 /nfs/dbraw/zinc/26/37/88/262263788.db2.gz KWKQWZQVURPEGF-AWEZNQCLSA-N 0 3 290.382 2.697 20 30 CFEDHN C=CCCCN(C)CC(=O)N(CC)Cc1ccccc1 ZINC000121096002 262267595 /nfs/dbraw/zinc/26/75/95/262267595.db2.gz SHVGEGAXWGSNBX-UHFFFAOYSA-N 0 3 274.408 2.933 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000184275041 262275352 /nfs/dbraw/zinc/27/53/52/262275352.db2.gz XWJBPSVYPVIWTE-CQSZACIVSA-N 0 3 279.380 2.509 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000354684895 262283191 /nfs/dbraw/zinc/28/31/91/262283191.db2.gz XTELINWALHEQPL-XLDPMVHQSA-N 0 3 266.703 2.611 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)C(C)(C)C1 ZINC000354031153 262283277 /nfs/dbraw/zinc/28/32/77/262283277.db2.gz DNQDDBCCFPZSAO-CABCVRRESA-N 0 3 278.440 2.944 20 30 CFEDHN CC[C@@H](CC#N)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495687643 262286592 /nfs/dbraw/zinc/28/65/92/262286592.db2.gz LIUCFVLVUSJMDO-YPMHNXCESA-N 0 3 281.400 2.524 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cnc2ccsc2c1 ZINC000186685245 262319722 /nfs/dbraw/zinc/31/97/22/262319722.db2.gz JVOJVHFDEYLAMM-JQWIXIFHSA-N 0 3 262.378 2.884 20 30 CFEDHN CCCN(CCN[C@H]1CC[C@@H](C#N)C1)C(=O)OC(C)(C)C ZINC000496831563 262356772 /nfs/dbraw/zinc/35/67/72/262356772.db2.gz XDTLEQNHGOSVLU-KGLIPLIRSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000117883112 262359697 /nfs/dbraw/zinc/35/96/97/262359697.db2.gz QDPFKYAYZXQIDT-OAHLLOKOSA-N 0 3 276.355 2.829 20 30 CFEDHN CC(C)(C#N)CCCCN1CCSC[C@@H]1CCO ZINC000336784686 262394663 /nfs/dbraw/zinc/39/46/63/262394663.db2.gz VEQCBLBIUPXONI-ZDUSSCGKSA-N 0 3 270.442 2.506 20 30 CFEDHN N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H]1CCOC1 ZINC000336822981 262397247 /nfs/dbraw/zinc/39/72/47/262397247.db2.gz NSAHLISOSGOMAB-USXIJHARSA-N 0 3 270.376 2.795 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CCN(CCC2CC2)CC1 ZINC000336828167 262398009 /nfs/dbraw/zinc/39/80/09/262398009.db2.gz VMKGTKUUPRULKT-KRWDZBQOSA-N 0 3 269.392 2.669 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337164532 262430294 /nfs/dbraw/zinc/43/02/94/262430294.db2.gz XTOGKYHLBBSVRP-CVEARBPZSA-N 0 3 290.382 2.899 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H]2CCCC(F)(F)C2)C1=O ZINC000338342030 262524098 /nfs/dbraw/zinc/52/40/98/262524098.db2.gz FCZIKWWCECYNJG-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000320332012 262623765 /nfs/dbraw/zinc/62/37/65/262623765.db2.gz ZIXQPUOKDVDQND-NSHDSACASA-N 0 3 284.743 2.665 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000411175997 262682477 /nfs/dbraw/zinc/68/24/77/262682477.db2.gz RTWPNDABVPLLKM-GJZGRUSLSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCCCN(C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411281762 262686652 /nfs/dbraw/zinc/68/66/52/262686652.db2.gz BDTIXMLCKIXYMN-HNNXBMFYSA-N 0 3 276.355 2.829 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000411894477 262708757 /nfs/dbraw/zinc/70/87/57/262708757.db2.gz QMRWBFQUKYJNTB-ZCDTZLGTSA-N 0 3 256.349 2.581 20 30 CFEDHN C[C@@H](NCCNc1ccccn1)c1ccc(OCC#N)cc1 ZINC000271890224 263000078 /nfs/dbraw/zinc/00/00/78/263000078.db2.gz RSDLXWHRWAWDSI-CQSZACIVSA-N 0 3 296.374 2.747 20 30 CFEDHN COCc1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000272577489 263006978 /nfs/dbraw/zinc/00/69/78/263006978.db2.gz NVMGLHIGGBXLGE-UHFFFAOYSA-N 0 3 258.365 2.959 20 30 CFEDHN N#CCCCNCc1c[nH]nc1-c1ccccc1F ZINC000273008941 263010944 /nfs/dbraw/zinc/01/09/44/263010944.db2.gz BQXYKXAKXJQORM-UHFFFAOYSA-N 0 3 258.300 2.609 20 30 CFEDHN Cc1ccnc(NC[C@H](c2ccccc2)N(C)C)c1C#N ZINC000273030980 263011188 /nfs/dbraw/zinc/01/11/88/263011188.db2.gz MTQLGPNFMFOXLT-MRXNPFEDSA-N 0 3 280.375 2.977 20 30 CFEDHN CCOCc1cc(CNCCCC#N)ccc1OC ZINC000273060599 263012097 /nfs/dbraw/zinc/01/20/97/263012097.db2.gz MEZPQVDYQYLTGG-UHFFFAOYSA-N 0 3 262.353 2.625 20 30 CFEDHN CCCOc1cc(CNCCCC#N)ccc1OC ZINC000273064380 263012151 /nfs/dbraw/zinc/01/21/51/263012151.db2.gz NCSJXCAPKMIBFY-UHFFFAOYSA-N 0 3 262.353 2.877 20 30 CFEDHN COc1ccc([C@H](C)NCCCC#N)cc1Cn1cccn1 ZINC000273172889 263013590 /nfs/dbraw/zinc/01/35/90/263013590.db2.gz CJNRBFTWPXLWBZ-AWEZNQCLSA-N 0 3 298.390 2.894 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 ZINC000273208929 263014012 /nfs/dbraw/zinc/01/40/12/263014012.db2.gz JZKSJQNTINXBEY-LBPRGKRZSA-N 0 3 273.380 2.858 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000274225007 263022142 /nfs/dbraw/zinc/02/21/42/263022142.db2.gz QVXNQXSHTJEWHN-DYVFJYSZSA-N 0 3 297.402 2.751 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000274407640 263023857 /nfs/dbraw/zinc/02/38/57/263023857.db2.gz FYVDUIVQXZPLMY-TUAOUCFPSA-N 0 3 259.309 2.938 20 30 CFEDHN N#CCOc1ccc(CN2CCCC3(CC3)C2)cc1 ZINC000274501317 263024692 /nfs/dbraw/zinc/02/46/92/263024692.db2.gz JNQLOYYFCQUOOP-UHFFFAOYSA-N 0 3 256.349 2.965 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000274618385 263027824 /nfs/dbraw/zinc/02/78/24/263027824.db2.gz LSJXHOVJEZUMRA-GZBFAFLISA-N 0 3 281.363 2.610 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)c1cccc(F)c1 ZINC000278377322 263047465 /nfs/dbraw/zinc/04/74/65/263047465.db2.gz CUUMYIKIOMOTSD-UAXWRAGISA-N 0 3 276.355 2.920 20 30 CFEDHN CN(C)c1cccc(CN(C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000278521711 263048668 /nfs/dbraw/zinc/04/86/68/263048668.db2.gz CPIHGNZWICVJNZ-CJNGLKHVSA-N 0 3 257.381 2.877 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(C)CC[C@H]1C ZINC000353434493 263049374 /nfs/dbraw/zinc/04/93/74/263049374.db2.gz JJOFWYTWGIWUFP-OAHLLOKOSA-N 0 3 274.408 2.777 20 30 CFEDHN Cc1ccccc1OCCN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000278672341 263049657 /nfs/dbraw/zinc/04/96/57/263049657.db2.gz RBPWDSDRQVGPCS-CABCVRRESA-N 0 3 258.365 2.998 20 30 CFEDHN Cc1cnccc1OC1CCN(CCCC#N)CC1 ZINC000278759354 263050616 /nfs/dbraw/zinc/05/06/16/263050616.db2.gz XRMHTBLFCIGGJL-UHFFFAOYSA-N 0 3 259.353 2.537 20 30 CFEDHN CCC[C@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261043 263054141 /nfs/dbraw/zinc/05/41/41/263054141.db2.gz IDPJQVSFOVTYGC-CVEARBPZSA-N 0 3 283.375 2.935 20 30 CFEDHN CCC[C@@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261047 263054165 /nfs/dbraw/zinc/05/41/65/263054165.db2.gz IDPJQVSFOVTYGC-HZPDHXFCSA-N 0 3 283.375 2.935 20 30 CFEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(-n2cncn2)cc1 ZINC000279578943 263056247 /nfs/dbraw/zinc/05/62/47/263056247.db2.gz MTIQLECCLBJMOE-QWHCGFSZSA-N 0 3 269.352 2.610 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc2ccc(OC)cc2s1 ZINC000353194787 263056427 /nfs/dbraw/zinc/05/64/27/263056427.db2.gz SUERZOQITMQLMI-NSHDSACASA-N 0 3 292.404 2.579 20 30 CFEDHN CC1=C(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280157034 263059331 /nfs/dbraw/zinc/05/93/31/263059331.db2.gz DQYHTRZZTOUXRK-KRWDZBQOSA-N 0 3 293.370 2.809 20 30 CFEDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280162047 263059415 /nfs/dbraw/zinc/05/94/15/263059415.db2.gz FLFZSCLNZXLITA-MRXNPFEDSA-N 0 3 299.418 2.654 20 30 CFEDHN CC(C)C1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280171668 263059531 /nfs/dbraw/zinc/05/95/31/263059531.db2.gz SMGHSEVAYFRJMW-INIZCTEOSA-N 0 3 295.386 2.793 20 30 CFEDHN CN(C)CCN(C(=O)c1ccc(CC#N)cc1)C1CCCC1 ZINC000340152576 263079465 /nfs/dbraw/zinc/07/94/65/263079465.db2.gz TWSODCLEHOFXPH-UHFFFAOYSA-N 0 3 299.418 2.699 20 30 CFEDHN C=CCOCCCN1CCC=C(c2ccncc2)C1 ZINC000353198808 263081458 /nfs/dbraw/zinc/08/14/58/263081458.db2.gz IFSOOOSSQOXYOP-UHFFFAOYSA-N 0 3 258.365 2.763 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104704634 263081785 /nfs/dbraw/zinc/08/17/85/263081785.db2.gz CPYOMMPPVNHOOH-LRDDRELGSA-N 0 3 290.382 2.947 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284723252 263087803 /nfs/dbraw/zinc/08/78/03/263087803.db2.gz JTYNXXWYBFKUFG-IAGOWNOFSA-N 0 3 286.375 2.732 20 30 CFEDHN Cc1ccc2c(c1)CN(CCCSCC#N)CCO2 ZINC000285657648 263094842 /nfs/dbraw/zinc/09/48/42/263094842.db2.gz SSUKVZKECUFPMV-UHFFFAOYSA-N 0 3 276.405 2.836 20 30 CFEDHN Cn1nccc1C1=CCN(CCCC(C)(C)C#N)CC1 ZINC000285731292 263095347 /nfs/dbraw/zinc/09/53/47/263095347.db2.gz VEPPWCBMKOXVHS-UHFFFAOYSA-N 0 3 272.396 2.839 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000288891714 263106390 /nfs/dbraw/zinc/10/63/90/263106390.db2.gz RXEDEVXDYKYDGY-KRWDZBQOSA-N 0 3 288.391 2.573 20 30 CFEDHN Cc1cccc2c1OC[C@H](N[C@@H]1CC[C@H](C#N)C1)C2 ZINC000353517809 263109777 /nfs/dbraw/zinc/10/97/77/263109777.db2.gz ZBPZONGMHBTODI-NWANDNLSSA-N 0 3 256.349 2.580 20 30 CFEDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)CCCC#N ZINC000291633114 263124199 /nfs/dbraw/zinc/12/41/99/263124199.db2.gz FRESKEJDZWSMEV-UHFFFAOYSA-N 0 3 287.407 2.707 20 30 CFEDHN C[C@H]1CCN(CCOCCC#N)[C@H](c2ccco2)C1 ZINC000292841265 263135490 /nfs/dbraw/zinc/13/54/90/263135490.db2.gz PQVDJVHDZJDXBY-KBPBESRZSA-N 0 3 262.353 2.983 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccc(OCC#N)cc2)CCCO1 ZINC000292898175 263136325 /nfs/dbraw/zinc/13/63/25/263136325.db2.gz AFTLUKFOBCIBTK-QGZVFWFLSA-N 0 3 288.391 2.836 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3nnc4ccccn43)C2)C1 ZINC000292998398 263136982 /nfs/dbraw/zinc/13/69/82/263136982.db2.gz GOIJBVJDRKFLPQ-QLFBSQMISA-N 0 3 295.390 2.601 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCN(CCc3cccs3)CC2)C1 ZINC000293459186 263140795 /nfs/dbraw/zinc/14/07/95/263140795.db2.gz LBDZGDGVCRBUBO-HUUCEWRRSA-N 0 3 289.448 2.600 20 30 CFEDHN CN(CCCOc1ccc(Cl)cc1)CCOCCC#N ZINC000293517018 263142510 /nfs/dbraw/zinc/14/25/10/263142510.db2.gz OQBFDSUAHRBDHT-UHFFFAOYSA-N 0 3 296.798 2.971 20 30 CFEDHN COc1ccc(OCCN(C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000293658228 263146258 /nfs/dbraw/zinc/14/62/58/263146258.db2.gz YMGYWBKUCFDJFJ-UONOGXRCSA-N 0 3 274.364 2.698 20 30 CFEDHN CCc1nc2c(s1)[C@H](N(C)CCOCCC#N)CCC2 ZINC000293689966 263147044 /nfs/dbraw/zinc/14/70/44/263147044.db2.gz BSBQBJKAUDWNDI-CYBMUJFWSA-N 0 3 293.436 2.945 20 30 CFEDHN CCOc1cccc([C@H](C)NCCOCCC#N)c1 ZINC000293708474 263147372 /nfs/dbraw/zinc/14/73/72/263147372.db2.gz DLMCRGWTOVUIMP-ZDUSSCGKSA-N 0 3 262.353 2.666 20 30 CFEDHN Cc1ccnc(OC2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000294772009 263167380 /nfs/dbraw/zinc/16/73/80/263167380.db2.gz ZGTMNPOTAWULPP-LSDHHAIUSA-N 0 3 285.391 2.926 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]1C1CC1 ZINC000452996767 263174461 /nfs/dbraw/zinc/17/44/61/263174461.db2.gz UHQMBGMRCIDOQC-JKSUJKDBSA-N 0 3 268.360 2.770 20 30 CFEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(C2CC2)c1 ZINC000295419229 263177152 /nfs/dbraw/zinc/17/71/52/263177152.db2.gz NFRZQRFTQFBASX-CQSZACIVSA-N 0 3 299.418 2.977 20 30 CFEDHN C[C@]1(F)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000295413832 263177220 /nfs/dbraw/zinc/17/72/20/263177220.db2.gz CEKQQXIFKFIXNI-RDJZCZTQSA-N 0 3 299.349 2.591 20 30 CFEDHN COc1cc([C@H](C)N[C@H]2CC[C@@H](CC#N)C2)c(F)cn1 ZINC000296506439 263192337 /nfs/dbraw/zinc/19/23/37/263192337.db2.gz PIEUHKYGGCCRLZ-SRVKXCTJSA-N 0 3 277.343 2.962 20 30 CFEDHN COc1cc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)c(F)cn1 ZINC000296506443 263192421 /nfs/dbraw/zinc/19/24/21/263192421.db2.gz PIEUHKYGGCCRLZ-WOPDTQHZSA-N 0 3 277.343 2.962 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc3cncn3c2)C1 ZINC000297499620 263205624 /nfs/dbraw/zinc/20/56/24/263205624.db2.gz LHARLDNJPHILCC-JSGCOSHPSA-N 0 3 254.337 2.506 20 30 CFEDHN C[C@H](CCC#N)N1CCCN(c2ccccc2)CC1 ZINC000298142716 263215599 /nfs/dbraw/zinc/21/55/99/263215599.db2.gz OHWZZGUASFRWQO-OAHLLOKOSA-N 0 3 257.381 2.891 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCOC2)c([O-])c1 ZINC000298418529 263219253 /nfs/dbraw/zinc/21/92/53/263219253.db2.gz NPPBQVZARNNXSP-VVBXCHJUSA-N 0 3 276.380 2.694 20 30 CFEDHN CC(C)[C@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000298446527 263219791 /nfs/dbraw/zinc/21/97/91/263219791.db2.gz TWDWKJVDHGTYBW-HNNXBMFYSA-N 0 3 287.407 2.910 20 30 CFEDHN CC(C)[C@@H](C)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000298446529 263220110 /nfs/dbraw/zinc/22/01/10/263220110.db2.gz TWDWKJVDHGTYBW-OAHLLOKOSA-N 0 3 287.407 2.910 20 30 CFEDHN CCn1nccc1C1CCN([C@H](C)CCC#N)CC1 ZINC000298596709 263222535 /nfs/dbraw/zinc/22/25/35/263222535.db2.gz SAYAKZGHPIBMDX-CYBMUJFWSA-N 0 3 260.385 2.775 20 30 CFEDHN N#CCN(C(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000299325795 263239518 /nfs/dbraw/zinc/23/95/18/263239518.db2.gz WIRFJQMVGBKLOW-UHFFFAOYSA-N 0 3 297.402 2.801 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000299341047 263240500 /nfs/dbraw/zinc/24/05/00/263240500.db2.gz QIDXFVCCQJVTPY-KBPBESRZSA-N 0 3 283.379 2.601 20 30 CFEDHN C=CCCOCCNCC1=Cc2ccccc2OC1 ZINC000120822409 263289393 /nfs/dbraw/zinc/28/93/93/263289393.db2.gz DHLMJFBAJPKTTI-UHFFFAOYSA-N 0 3 259.349 2.645 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(OCC(=O)OC)cc1 ZINC000340910781 263314358 /nfs/dbraw/zinc/31/43/58/263314358.db2.gz HLMIJWBMVUEDGO-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1(C#N)CCCCC1 ZINC000341059021 263320005 /nfs/dbraw/zinc/32/00/05/263320005.db2.gz LWROFGQRVWSHSA-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000341880983 263362386 /nfs/dbraw/zinc/36/23/86/263362386.db2.gz QMGQHYGFNAKWKK-OLZOCXBDSA-N 0 3 280.387 2.727 20 30 CFEDHN COc1ccc(CNCC2(CC#N)CC2)c(C)c1OC ZINC000342175403 263392724 /nfs/dbraw/zinc/39/27/24/263392724.db2.gz VVNWKZZHHQNMQA-UHFFFAOYSA-N 0 3 274.364 2.796 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N(CCC)CCN1CCCC1)OCC ZINC000342178431 263393557 /nfs/dbraw/zinc/39/35/57/263393557.db2.gz JEPFVARCOONCFK-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCc1cc(CN[C@H]2C[C@H]2C(F)F)cc(OC)c1O ZINC000342203089 263406716 /nfs/dbraw/zinc/40/67/16/263406716.db2.gz HFHXEQJSZJEXQE-NEPJUHHUSA-N 0 3 283.318 2.873 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC=CC[C@H]2C)CC1 ZINC000342476454 263438473 /nfs/dbraw/zinc/43/84/73/263438473.db2.gz NXTJHTMDOSRTJM-ZBFHGGJFSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416249530 263683753 /nfs/dbraw/zinc/68/37/53/263683753.db2.gz YBPZAKXRHSWRBE-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN COCCCCN(C)C(=O)C(C#N)CCc1ccccc1 ZINC000416340094 263696149 /nfs/dbraw/zinc/69/61/49/263696149.db2.gz QHAMTYWZRBIMGZ-INIZCTEOSA-N 0 3 288.391 2.644 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000416676788 263744928 /nfs/dbraw/zinc/74/49/28/263744928.db2.gz DADRCFJOKCBVHD-LSDHHAIUSA-N 0 3 293.455 2.761 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1nc(C)c(C)nc1C ZINC000330672402 264013803 /nfs/dbraw/zinc/01/38/03/264013803.db2.gz NUYFJQVZGKVSKA-AWEZNQCLSA-N 0 3 290.411 2.581 20 30 CFEDHN C#CCSCCNCc1cc2cc(OC)ccc2o1 ZINC000125787700 264069658 /nfs/dbraw/zinc/06/96/58/264069658.db2.gz YDUJXNCVYSHMEG-UHFFFAOYSA-N 0 3 275.373 2.897 20 30 CFEDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000330911598 264075213 /nfs/dbraw/zinc/07/52/13/264075213.db2.gz WELHRJUVBLRJLU-VXGBXAGGSA-N 0 3 291.351 2.691 20 30 CFEDHN CCc1noc(C)c1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000330932056 264096311 /nfs/dbraw/zinc/09/63/11/264096311.db2.gz WSSFSBOXHQYTPS-GXFFZTMASA-N 0 3 279.384 2.579 20 30 CFEDHN Cc1cc(C)c(NC(=O)NCCN2CCCCC2)c(C)n1 ZINC000331241807 264177079 /nfs/dbraw/zinc/17/70/79/264177079.db2.gz QNPSMSIFXCRZAD-UHFFFAOYSA-N 0 3 290.411 2.819 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)Nc1c(C)noc1CC ZINC000331344292 264205174 /nfs/dbraw/zinc/20/51/74/264205174.db2.gz UQYNXERKHVKXAK-LBPRGKRZSA-N 0 3 294.399 2.746 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000345754240 265096897 /nfs/dbraw/zinc/09/68/97/265096897.db2.gz DMGGOVLSWZXNOQ-LLVKDONJSA-N 0 3 299.305 2.789 20 30 CFEDHN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C(C)C#N ZINC000347739993 265134482 /nfs/dbraw/zinc/13/44/82/265134482.db2.gz ZMBXVLRGZIEVSB-FZMZJTMJSA-N 0 3 262.328 2.669 20 30 CFEDHN CCOc1ccc(CNC(=O)C(C)C#N)cc1Cl ZINC000356167555 266061387 /nfs/dbraw/zinc/06/13/87/266061387.db2.gz ROIBBFNHHDPFLF-VIFPVBQESA-N 0 3 266.728 2.515 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000356277368 266085847 /nfs/dbraw/zinc/08/58/47/266085847.db2.gz VCQWKUPDWIAKCZ-ZNMIVQPWSA-N 0 3 264.413 2.674 20 30 CFEDHN Cc1nccn1CCCCN1CCC(C)(C#N)CC1 ZINC000356462941 266119487 /nfs/dbraw/zinc/11/94/87/266119487.db2.gz VHSQCOOQHGBONS-UHFFFAOYSA-N 0 3 260.385 2.597 20 30 CFEDHN CC(C#N)C(=O)N(C)C1CCC(C(F)(F)F)CC1 ZINC000356575938 266140638 /nfs/dbraw/zinc/14/06/38/266140638.db2.gz IJCNBJNOLSONIE-IDKOKCKLSA-N 0 3 262.275 2.726 20 30 CFEDHN C[C@@H]1[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)CCCN1C ZINC000356737080 266166906 /nfs/dbraw/zinc/16/69/06/266166906.db2.gz LJHIWOFQWZWXGA-HYVNUMGLSA-N 0 3 299.418 2.673 20 30 CFEDHN CC(C#N)C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000356944555 266215805 /nfs/dbraw/zinc/21/58/05/266215805.db2.gz DNCATOHLFYSMHY-JQWIXIFHSA-N 0 3 284.281 2.683 20 30 CFEDHN CC[C@@H]1C[C@@H](CN(C[C@H](C)C#N)C2CC2)CCO1 ZINC000356976246 266222809 /nfs/dbraw/zinc/22/28/09/266222809.db2.gz CJJUXOTVGGGDHC-VNHYZAJKSA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CC23CCCCC3)CC1 ZINC000357158199 266256972 /nfs/dbraw/zinc/25/69/72/266256972.db2.gz FZXXWTUEQBKNAT-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000357514601 266314788 /nfs/dbraw/zinc/31/47/88/266314788.db2.gz FSTUIBWGIPNMBM-KGLIPLIRSA-N 0 3 293.411 2.926 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@H](C)CC[C@@H]1CC ZINC000357557157 266323628 /nfs/dbraw/zinc/32/36/28/266323628.db2.gz YPGFYEWNPFIARX-KGLIPLIRSA-N 0 3 252.402 2.674 20 30 CFEDHN C[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)[C@H]1C ZINC000357561593 266325376 /nfs/dbraw/zinc/32/53/76/266325376.db2.gz WUKQSTZSRNKUTI-IPYPFGDCSA-N 0 3 256.349 2.626 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000357791150 266363212 /nfs/dbraw/zinc/36/32/12/266363212.db2.gz GFMUDPBPMSMJIL-NSHDSACASA-N 0 3 258.277 2.561 20 30 CFEDHN CC(C#N)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000357807078 266369161 /nfs/dbraw/zinc/36/91/61/266369161.db2.gz PJDCWMIVKRWAGQ-HNNXBMFYSA-N 0 3 293.370 2.813 20 30 CFEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000357823792 266372664 /nfs/dbraw/zinc/37/26/64/266372664.db2.gz INXWFKFUSBYRKW-ZWNOBZJWSA-N 0 3 270.336 2.536 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)c(OC)c1 ZINC000357837364 266374375 /nfs/dbraw/zinc/37/43/75/266374375.db2.gz SJZXOBXPWXPUDM-SMDDNHRTSA-N 0 3 288.347 2.527 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000357841837 266375718 /nfs/dbraw/zinc/37/57/18/266375718.db2.gz ZROHFASIRRUFGY-NWDGAFQWSA-N 0 3 255.321 2.627 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(CC)CCCC2)CC1 ZINC000362535837 267003397 /nfs/dbraw/zinc/00/33/97/267003397.db2.gz WEYFWFFLXZCBSP-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000362541334 267004405 /nfs/dbraw/zinc/00/44/05/267004405.db2.gz LCPVNSIOFWWKAJ-STQMWFEESA-N 0 3 274.364 2.948 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2ncsc2c1 ZINC000362574851 267009617 /nfs/dbraw/zinc/00/96/17/267009617.db2.gz IATLNWGNHHDKRA-WDEREUQCSA-N 0 3 289.404 2.638 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@H](COCC2CC2)C1 ZINC000362584877 267011312 /nfs/dbraw/zinc/01/13/12/267011312.db2.gz ZLQMHMVGNKZJFP-ZBFHGGJFSA-N 0 3 267.413 2.859 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@@H](COCC2CC2)C1 ZINC000362584874 267011454 /nfs/dbraw/zinc/01/14/54/267011454.db2.gz ZLQMHMVGNKZJFP-GDBMZVCRSA-N 0 3 267.413 2.859 20 30 CFEDHN CCCN(Cc1ccc(C#N)cn1)C[C@H]1CCCCO1 ZINC000519612896 267015626 /nfs/dbraw/zinc/01/56/26/267015626.db2.gz XVPPIZNXMORANY-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN C=C[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000362611289 267022029 /nfs/dbraw/zinc/02/20/29/267022029.db2.gz BQBSZVIMAPSODM-NSHDSACASA-N 0 3 272.348 2.799 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000362655024 267030297 /nfs/dbraw/zinc/03/02/97/267030297.db2.gz HTGUBMKMLHLLDN-CZUORRHYSA-N 0 3 289.423 2.725 20 30 CFEDHN C=C[C@@H](C)NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000362680869 267034808 /nfs/dbraw/zinc/03/48/08/267034808.db2.gz XDZSSSSHRIIUEE-CYBMUJFWSA-N 0 3 291.395 2.631 20 30 CFEDHN C=CCCCN(C)C(=O)c1ccccc1CN(C)C ZINC000362807863 267049359 /nfs/dbraw/zinc/04/93/59/267049359.db2.gz WTDKGAKVHDPANV-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN C=CCCCN1CCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000363233748 267081300 /nfs/dbraw/zinc/08/13/00/267081300.db2.gz AXFFGYKFNMEUBS-AWEZNQCLSA-N 0 3 273.380 2.759 20 30 CFEDHN C#CCCOc1ccc(CN2CCOCC[C@H]2C)cc1 ZINC000367706077 267110721 /nfs/dbraw/zinc/11/07/21/267110721.db2.gz NHENXCGMOHMLJN-OAHLLOKOSA-N 0 3 273.376 2.700 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368590919 267190051 /nfs/dbraw/zinc/19/00/51/267190051.db2.gz LNPVYBNBWRYNMX-LSDHHAIUSA-N 0 3 266.429 2.900 20 30 CFEDHN CC[C@H]1CN(CCCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000369530459 267249604 /nfs/dbraw/zinc/24/96/04/267249604.db2.gz HELJGMUFUFDZFP-RDJZCZTQSA-N 0 3 294.439 2.976 20 30 CFEDHN COC[C@@H]1CCCCN(CC#Cc2ccc(F)cc2)C1 ZINC000369948974 267278192 /nfs/dbraw/zinc/27/81/92/267278192.db2.gz SPKDUQFYMDWAGH-MRXNPFEDSA-N 0 3 275.367 2.926 20 30 CFEDHN CN(C)Cc1ccc(NCc2ccc(C#N)o2)c(F)c1 ZINC000414493608 267283967 /nfs/dbraw/zinc/28/39/67/267283967.db2.gz YHBDJHCLDUDYBR-UHFFFAOYSA-N 0 3 273.311 2.964 20 30 CFEDHN CN(Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc2C1 ZINC000516935400 267314644 /nfs/dbraw/zinc/31/46/44/267314644.db2.gz XCTQUTICXQEKIG-GOSISDBHSA-N 0 3 277.371 2.943 20 30 CFEDHN C=CCOc1cccc(CN2CC([C@@H]3CCOC3)C2)c1 ZINC000370477727 267320963 /nfs/dbraw/zinc/32/09/63/267320963.db2.gz QDTGQSSFYCLFPS-OAHLLOKOSA-N 0 3 273.376 2.720 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Sc2ccccn2)CC1 ZINC000370495836 267323851 /nfs/dbraw/zinc/32/38/51/267323851.db2.gz FTGNMABMXBTJCN-CQSZACIVSA-N 0 3 292.448 2.965 20 30 CFEDHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000371057758 267348522 /nfs/dbraw/zinc/34/85/22/267348522.db2.gz XMVMEEQFSNRUPY-LSDHHAIUSA-N 0 3 289.423 2.546 20 30 CFEDHN COc1ccc2c(c1)C[C@H](NCC1(C#N)CCC1)CC2 ZINC000418142779 267364304 /nfs/dbraw/zinc/36/43/04/267364304.db2.gz NQCQCQSZVOYDKT-OAHLLOKOSA-N 0 3 270.376 2.836 20 30 CFEDHN C[C@H](CCc1ccc(O)cc1)NCC1(C#N)CCC1 ZINC000418144871 267366522 /nfs/dbraw/zinc/36/65/22/267366522.db2.gz VIPVMNULAMLHDP-CYBMUJFWSA-N 0 3 258.365 2.997 20 30 CFEDHN COc1ccc(C[C@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418144888 267366801 /nfs/dbraw/zinc/36/68/01/267366801.db2.gz VLFXWEYTONHCDV-ZDUSSCGKSA-N 0 3 288.391 2.918 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC1(C#N)CCC1 ZINC000418135384 267367753 /nfs/dbraw/zinc/36/77/53/267367753.db2.gz AONDFZSUKTXVQD-WBVHZDCISA-N 0 3 283.419 2.790 20 30 CFEDHN C=CCN(Cc1cc[nH]n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000371371999 267395196 /nfs/dbraw/zinc/39/51/96/267395196.db2.gz DWZRBCJZDALJAS-SFHVURJKSA-N 0 3 296.418 2.672 20 30 CFEDHN CC#CCN[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374816735 267815236 /nfs/dbraw/zinc/81/52/36/267815236.db2.gz TYRLIAPKDVKBKS-GOEBONIOSA-N 0 3 296.336 2.852 20 30 CFEDHN C#CCN[C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000374829754 267816315 /nfs/dbraw/zinc/81/63/15/267816315.db2.gz PDOSSLLODVWEBY-JKSUJKDBSA-N 0 3 278.346 2.711 20 30 CFEDHN C#CCC(CC#C)C(=O)Nc1cccc2c1CCN(CC)C2 ZINC000376871838 268026496 /nfs/dbraw/zinc/02/64/96/268026496.db2.gz HWOSHPROYKPUFC-UHFFFAOYSA-N 0 3 294.398 2.666 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2C[C@H](CO)c3ccccc32)C1 ZINC000377081691 268045464 /nfs/dbraw/zinc/04/54/64/268045464.db2.gz XKPKVNDINCCCKJ-WVZRYYJFSA-N 0 3 270.376 2.879 20 30 CFEDHN N#Cc1ccc(C2(NC/C=C\Cl)CCOCC2)cc1 ZINC000528779588 268211181 /nfs/dbraw/zinc/21/11/81/268211181.db2.gz VYQWEIOHBDMGRC-QPIMQUGISA-N 0 3 276.767 2.906 20 30 CFEDHN CC(C)CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301083683 273513092 /nfs/dbraw/zinc/51/30/92/273513092.db2.gz DUKNHDTYGCNUQO-UHFFFAOYSA-N 0 3 294.402 2.884 20 30 CFEDHN CC(C)C[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000355753921 273518251 /nfs/dbraw/zinc/51/82/51/273518251.db2.gz DEBXDMXLLFGEOE-AWEZNQCLSA-N 0 3 272.396 2.510 20 30 CFEDHN COc1ccc2c(c1)[C@@H](N[C@H]1CC[C@H](C#N)C1)CCO2 ZINC000333091888 274133960 /nfs/dbraw/zinc/13/39/60/274133960.db2.gz OHSULDGGAWJNNH-HUBLWGQQSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000352830548 274448217 /nfs/dbraw/zinc/44/82/17/274448217.db2.gz BCMQDZFZULUULP-CQSZACIVSA-N 0 3 298.308 2.828 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2O)c(C(F)(F)F)c1 ZINC000356188393 274922899 /nfs/dbraw/zinc/92/28/99/274922899.db2.gz DAABGHDAUTTXSQ-ZIAGYGMSSA-N 0 3 298.308 2.970 20 30 CFEDHN N#Cc1nc(NC2CCN(C3CC3)CC2)ccc1Cl ZINC000264451258 274931120 /nfs/dbraw/zinc/93/11/20/274931120.db2.gz VOFRSZCKVZTITN-UHFFFAOYSA-N 0 3 276.771 2.645 20 30 CFEDHN C#CCCCC(=O)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000192194995 275379140 /nfs/dbraw/zinc/37/91/40/275379140.db2.gz NHRQPIFLDGHTBD-MRXNPFEDSA-N 0 3 282.387 2.801 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289685828 275438378 /nfs/dbraw/zinc/43/83/78/275438378.db2.gz HYQPFDCFUPSMDM-BXKDBHETSA-N 0 3 259.271 2.903 20 30 CFEDHN CC(C)CCN1CCN(c2ccccc2C#N)CC1 ZINC000076798629 275562406 /nfs/dbraw/zinc/56/24/06/275562406.db2.gz BYZNQYSPUATTGK-UHFFFAOYSA-N 0 3 257.381 2.726 20 30 CFEDHN CC(C)CN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176991471 275576872 /nfs/dbraw/zinc/57/68/72/275576872.db2.gz JAJHADKQBLTQNR-UHFFFAOYSA-N 0 3 290.838 2.965 20 30 CFEDHN CC1(C)C[C@@H](NCC#Cc2ccccc2)C(C)(C)O1 ZINC000192194024 275859989 /nfs/dbraw/zinc/85/99/89/275859989.db2.gz KFMVKKHLJXLUIJ-OAHLLOKOSA-N 0 3 257.377 2.974 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H](O)COC(C)C ZINC000097357104 276001788 /nfs/dbraw/zinc/00/17/88/276001788.db2.gz IIIFWKYIKGVORJ-QGZVFWFLSA-N 0 3 290.407 2.556 20 30 CFEDHN CC[C@H](N[C@@H](COC)[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000278726808 276638840 /nfs/dbraw/zinc/63/88/40/276638840.db2.gz IWRTVQBYKNUSPU-YESZJQIVSA-N 0 3 288.391 2.793 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000335499488 276855575 /nfs/dbraw/zinc/85/55/75/276855575.db2.gz HPZVGRZNAIEHFC-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN CN(c1ncccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268456210 277004770 /nfs/dbraw/zinc/00/47/70/277004770.db2.gz CLISHOMFGUVNFJ-KRWDZBQOSA-N 0 3 292.386 2.664 20 30 CFEDHN COC[C@@H](NCC#Cc1ccccc1Cl)C1CC1 ZINC000347800128 277568238 /nfs/dbraw/zinc/56/82/38/277568238.db2.gz KVPWXMDUZCHWRV-OAHLLOKOSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000354290376 277822100 /nfs/dbraw/zinc/82/21/00/277822100.db2.gz UVZXQQANRADJKS-ZIAGYGMSSA-N 0 3 264.413 2.674 20 30 CFEDHN COc1cccc2c1CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC000194572753 278029079 /nfs/dbraw/zinc/02/90/79/278029079.db2.gz IYFXCGOWDDONSD-UHFFFAOYSA-N 0 3 295.386 2.506 20 30 CFEDHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(C#N)cc1 ZINC000271409376 278262563 /nfs/dbraw/zinc/26/25/63/278262563.db2.gz YAVAJHJBJBQHNK-XJKSGUPXSA-N 0 3 286.375 2.895 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000343505345 288057479 /nfs/dbraw/zinc/05/74/79/288057479.db2.gz MVGVKNDIQORMTE-BBRMVZONSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc(Cl)c(C#N)s1 ZINC000286215591 278901007 /nfs/dbraw/zinc/90/10/07/278901007.db2.gz CTMAKNUDRPOOIX-NXEZZACHSA-N 0 3 296.827 2.731 20 30 CFEDHN C[C@H](N[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 ZINC000452058283 279495785 /nfs/dbraw/zinc/49/57/85/279495785.db2.gz IADVHGVDBSAVLW-OSRSDYAFSA-N 0 3 299.418 2.889 20 30 CFEDHN C[C@]1(NCC#Cc2ccc(F)cc2)CCO[C@H]1C1CC1 ZINC000273027562 280167569 /nfs/dbraw/zinc/16/75/69/280167569.db2.gz FRFWTUGNEQIYML-IRXDYDNUSA-N 0 3 273.351 2.724 20 30 CFEDHN CC[C@@H]1CCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419241830 280296164 /nfs/dbraw/zinc/29/61/64/280296164.db2.gz SCBAMTSWLWYUSB-BMFZPTHFSA-N 0 3 285.391 2.501 20 30 CFEDHN C[C@H]1CN(CCOc2cccc(C#N)c2)C[C@H](C)S1 ZINC000070383206 280484401 /nfs/dbraw/zinc/48/44/01/280484401.db2.gz FZJXGRNCCTVENL-STQMWFEESA-N 0 3 276.405 2.763 20 30 CFEDHN N#Cc1cnccc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000547824512 281756593 /nfs/dbraw/zinc/75/65/93/281756593.db2.gz KRGUKMSVWVTUTQ-GOSISDBHSA-N 0 3 292.386 2.624 20 30 CFEDHN C[C@@H](N[C@H]1CCn2ccnc2C1)c1ccc(C#N)cc1F ZINC000547979803 281762312 /nfs/dbraw/zinc/76/23/12/281762312.db2.gz MDKWPMDRWVLOOI-YPMHNXCESA-N 0 3 284.338 2.559 20 30 CFEDHN CN(C)[C@H]1CCOc2c(Nc3ccncc3C#N)cccc21 ZINC000553232054 281873936 /nfs/dbraw/zinc/87/39/36/281873936.db2.gz QDCOTDDJURMILZ-INIZCTEOSA-N 0 3 294.358 2.504 20 30 CFEDHN CCN1CCN(c2ccc3cc(C#N)ccc3n2)[C@H](C)C1 ZINC000561356937 282052817 /nfs/dbraw/zinc/05/28/17/282052817.db2.gz JDFVFRHBUNABTI-CYBMUJFWSA-N 0 3 280.375 2.637 20 30 CFEDHN CN(C)C[C@@H]1CCCCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000491533956 289190598 /nfs/dbraw/zinc/19/05/98/289190598.db2.gz SHFRPKQRFYYXST-IBSYWUHOSA-N 0 3 297.402 2.514 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000335671461 289235199 /nfs/dbraw/zinc/23/51/99/289235199.db2.gz MBSUBDNPRJLEOK-BXUZGUMPSA-N 0 3 260.312 2.519 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000331574277 289235694 /nfs/dbraw/zinc/23/56/94/289235694.db2.gz SCTUZYDATDNLIM-RDBSUJKOSA-N 0 3 276.380 2.677 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CC1)OCCCO2 ZINC000293182971 290219358 /nfs/dbraw/zinc/21/93/58/290219358.db2.gz WTLKYWCIKWPGQG-CQSZACIVSA-N 0 3 286.375 2.848 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1ccc(C#N)cc1C ZINC000566028412 290342399 /nfs/dbraw/zinc/34/23/99/290342399.db2.gz OMFQTPSYUIEMQH-MRXNPFEDSA-N 0 3 299.418 2.813 20 30 CFEDHN CC(=O)N1CC[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000567208476 290446969 /nfs/dbraw/zinc/44/69/69/290446969.db2.gz CACFXNZNCRYQKO-SJLPKXTDSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085461830 782060979 /nfs/dbraw/zinc/06/09/79/782060979.db2.gz OPGQVOVRHVWLQV-ZDUSSCGKSA-N 0 3 276.355 2.548 20 30 CFEDHN N#Cc1ccc(N[C@@H](CN2CCCC2)c2ccccc2)nn1 ZINC000301844803 294933018 /nfs/dbraw/zinc/93/30/18/294933018.db2.gz SOXVXVQXYHRGDY-INIZCTEOSA-N 0 3 293.374 2.597 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000488743893 301162232 /nfs/dbraw/zinc/16/22/32/301162232.db2.gz IWBZMZFQVPGJRY-SUYBPPKGSA-N 0 3 298.434 2.737 20 30 CFEDHN Cc1cccc2nc(Cl)c(C#N)c(-n3cnc(CN)c3)c12 ZINC001154911790 782070635 /nfs/dbraw/zinc/07/06/35/782070635.db2.gz PKZFDFMGAXVFDG-UHFFFAOYSA-N 0 3 297.749 2.713 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471384 782069308 /nfs/dbraw/zinc/06/93/08/782069308.db2.gz MTLRDJNRKMTNMM-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085483597 782076663 /nfs/dbraw/zinc/07/66/63/782076663.db2.gz HEYCZAPDWDHWLY-CYBMUJFWSA-N 0 3 295.814 2.781 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085487543 782078852 /nfs/dbraw/zinc/07/88/52/782078852.db2.gz BVAMKLROUZOKKD-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000185826430 327846647 /nfs/dbraw/zinc/84/66/47/327846647.db2.gz NBPMBAWSSLWXEO-TYNCELHUSA-N 0 3 286.379 2.910 20 30 CFEDHN C=CCCCCCN1CCO[C@@]2(CCCOC2)C1 ZINC000375637261 329004741 /nfs/dbraw/zinc/00/47/41/329004741.db2.gz SMXZFSDMNRUYLW-HNNXBMFYSA-N 0 3 253.386 2.614 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C(=O)NCC)C(C)C)cc1 ZINC000339431137 328010725 /nfs/dbraw/zinc/01/07/25/328010725.db2.gz TVDGBNIZIPQSHL-MRXNPFEDSA-N 0 3 290.407 2.502 20 30 CFEDHN CC#CCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000571091286 328085804 /nfs/dbraw/zinc/08/58/04/328085804.db2.gz YUXCRZHYFLWDNZ-UHFFFAOYSA-N 0 3 284.403 2.816 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1ccnc(N(C)C)n1 ZINC000571240320 328094930 /nfs/dbraw/zinc/09/49/30/328094930.db2.gz MRFGHDJYBQCWLI-CYBMUJFWSA-N 0 3 262.401 2.767 20 30 CFEDHN CN(CCOCCC#N)Cc1ccc(Cl)cc1 ZINC000293475197 328100279 /nfs/dbraw/zinc/10/02/79/328100279.db2.gz MBFYNQRFAROUJZ-UHFFFAOYSA-N 0 3 252.745 2.702 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000411769330 328099652 /nfs/dbraw/zinc/09/96/52/328099652.db2.gz KGUFMOVXXCCHLR-UHFFFAOYSA-N 0 3 298.308 2.989 20 30 CFEDHN C[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C ZINC000267608674 328179554 /nfs/dbraw/zinc/17/95/54/328179554.db2.gz AURYLFHHQCILPY-GJZGRUSLSA-N 0 3 285.391 2.521 20 30 CFEDHN C=CCN1CCC(NC(=O)CCSCCCC)CC1 ZINC000172542783 329137146 /nfs/dbraw/zinc/13/71/46/329137146.db2.gz ACEFLXLATKIHMF-UHFFFAOYSA-N 0 3 284.469 2.676 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(CCC(F)(F)F)CC1 ZINC000184090816 329256228 /nfs/dbraw/zinc/25/62/28/329256228.db2.gz CJKDHUVCTJNRGC-NSHDSACASA-N 0 3 277.334 2.685 20 30 CFEDHN N#CCCCC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000290990383 328261579 /nfs/dbraw/zinc/26/15/79/328261579.db2.gz ROLXLVBVTQJJDB-MRXNPFEDSA-N 0 3 285.391 2.634 20 30 CFEDHN N#CCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000291023012 328262053 /nfs/dbraw/zinc/26/20/53/328262053.db2.gz WHGIKXWJOVEESQ-ZDUSSCGKSA-N 0 3 291.420 2.695 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085532154 782090522 /nfs/dbraw/zinc/09/05/22/782090522.db2.gz IDUKXVYWPBLMHL-NCOADZHNSA-N 0 3 290.451 2.922 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000298636723 328297013 /nfs/dbraw/zinc/29/70/13/328297013.db2.gz WJLOZKIGGVCHBO-MFKMUULPSA-N 0 3 252.745 2.655 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@@H]2CCCO[C@@H]21 ZINC000162678651 322367375 /nfs/dbraw/zinc/36/73/75/322367375.db2.gz PLWDPBXRNXGYSX-IMJJTQAJSA-N 0 3 288.366 2.991 20 30 CFEDHN CN(Cc1ccc(C#N)cc1Cl)C1CCOCC1 ZINC000162870539 322369875 /nfs/dbraw/zinc/36/98/75/322369875.db2.gz BLYGJQASXVHNQM-UHFFFAOYSA-N 0 3 264.756 2.822 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000049376818 328356517 /nfs/dbraw/zinc/35/65/17/328356517.db2.gz CYFTVWYBPPIXAM-UHFFFAOYSA-N 0 3 294.757 2.763 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000573690216 322665326 /nfs/dbraw/zinc/66/53/26/322665326.db2.gz YJUHZFKDSHDJAU-SNVBAGLBSA-N 0 3 261.325 2.991 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccccc1OC(F)F ZINC000341272162 328405991 /nfs/dbraw/zinc/40/59/91/328405991.db2.gz NLWWYQWMNNXYAW-LLVKDONJSA-N 0 3 271.307 2.562 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc(OCCO)c(OC)c1 ZINC000341576834 328413511 /nfs/dbraw/zinc/41/35/11/328413511.db2.gz UUBGTNXNMUNAHT-ZDUSSCGKSA-N 0 3 279.380 2.683 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000342065813 328416503 /nfs/dbraw/zinc/41/65/03/328416503.db2.gz ZPGFCJZQVFSMAM-KKUMJFAQSA-N 0 3 266.429 2.968 20 30 CFEDHN C[C@@H]1CSCCN(Cc2cc(C#N)cs2)C1 ZINC000190844120 324043281 /nfs/dbraw/zinc/04/32/81/324043281.db2.gz IUQTWRKXBPNHDL-JTQLQIEISA-N 0 3 252.408 2.805 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCc1cc(C#N)cs1 ZINC000577380411 324731084 /nfs/dbraw/zinc/73/10/84/324731084.db2.gz ZFHRWRQXURJTCN-GWCFXTLKSA-N 0 3 252.383 2.506 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CCCCNC1=O ZINC000578710094 324879830 /nfs/dbraw/zinc/87/98/30/324879830.db2.gz FVBKBRDUGWNZQU-SJORKVTESA-N 0 3 297.402 2.584 20 30 CFEDHN Cc1cn(CCN(C)Cc2ccccc2)cc1C#N ZINC000581061950 325086597 /nfs/dbraw/zinc/08/65/97/325086597.db2.gz UZSNKIGJNGOILF-UHFFFAOYSA-N 0 3 253.349 2.800 20 30 CFEDHN C#CCSCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184708840 328535274 /nfs/dbraw/zinc/53/52/74/328535274.db2.gz IEMLDUPKSVPEHD-UHFFFAOYSA-N 0 3 285.796 2.510 20 30 CFEDHN Cc1cc(C)cc(OCCN[C@H]2CC[C@H](C#N)C2)c1 ZINC000442765362 328538389 /nfs/dbraw/zinc/53/83/89/328538389.db2.gz JJUBWTXZEYAGQF-GJZGRUSLSA-N 0 3 258.365 2.964 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@H](CO)C1 ZINC000312406117 326794745 /nfs/dbraw/zinc/79/47/45/326794745.db2.gz IJOWBCFHCZFRFA-HOCLYGCPSA-N 0 3 275.392 2.892 20 30 CFEDHN CN(C)[C@@H](CC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000583920447 326797495 /nfs/dbraw/zinc/79/74/95/326797495.db2.gz OCSLLAVMPWVILP-KRWDZBQOSA-N 0 3 299.418 2.832 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CC2CCC2)CC1 ZINC000334150085 326890846 /nfs/dbraw/zinc/89/08/46/326890846.db2.gz KJRYCDYIRYLMED-UHFFFAOYSA-N 0 3 255.365 2.739 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CCCC[C@@H]1O ZINC000077204437 326922978 /nfs/dbraw/zinc/92/29/78/326922978.db2.gz CVRFSOTXTXUTSF-ZBFHGGJFSA-N 0 3 275.392 2.892 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCC(CCC#N)CC2)cc1 ZINC000584174508 327058157 /nfs/dbraw/zinc/05/81/57/327058157.db2.gz OLFUWNPEKABYSZ-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN C=CCCCCCN(C)C[C@](C)(O)C(F)(F)F ZINC000410380552 327189236 /nfs/dbraw/zinc/18/92/36/327189236.db2.gz TZAXZPAQLIWYLG-NSHDSACASA-N 0 3 253.308 2.978 20 30 CFEDHN C=CC(C)(C)CNCc1c(C)nc2sc(C)nn12 ZINC000449483639 327262296 /nfs/dbraw/zinc/26/22/96/327262296.db2.gz BQJFDGPHRURNAT-UHFFFAOYSA-N 0 3 264.398 2.709 20 30 CFEDHN CC#CCCCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000560648364 327333166 /nfs/dbraw/zinc/33/31/66/327333166.db2.gz FETMLOIYPQNCJB-UHFFFAOYSA-N 0 3 290.451 2.974 20 30 CFEDHN C=C(C)CNCc1cc2c(c(Br)c1)OCO2 ZINC000153377808 327335916 /nfs/dbraw/zinc/33/59/16/327335916.db2.gz SFLOQUUXKCDJGH-UHFFFAOYSA-N 0 3 284.153 2.844 20 30 CFEDHN CC#CCCN(CCOC)CCOc1ccc(F)cc1 ZINC000155638762 327395479 /nfs/dbraw/zinc/39/54/79/327395479.db2.gz VFOJVKHFEPROBJ-UHFFFAOYSA-N 0 3 279.355 2.566 20 30 CFEDHN CC#CCCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000155639219 327395513 /nfs/dbraw/zinc/39/55/13/327395513.db2.gz RLHFMSZTLBNLEZ-UHFFFAOYSA-N 0 3 276.424 2.561 20 30 CFEDHN CC1(C#N)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000335046668 327399551 /nfs/dbraw/zinc/39/95/51/327399551.db2.gz GBCNGTOGHIGDRQ-UHFFFAOYSA-N 0 3 253.349 2.878 20 30 CFEDHN C=CCOc1ccccc1CNCCC1(CO)CC1 ZINC000395816183 328761073 /nfs/dbraw/zinc/76/10/73/328761073.db2.gz DFADEKASKSCWPI-UHFFFAOYSA-N 0 3 261.365 2.504 20 30 CFEDHN CC#CCCNCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000360968634 328913319 /nfs/dbraw/zinc/91/33/19/328913319.db2.gz LAHLFYKXSILIRL-UHFFFAOYSA-N 0 3 269.348 2.588 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)cc1 ZINC000361151843 328915149 /nfs/dbraw/zinc/91/51/49/328915149.db2.gz HNHQMWGQDXJPHO-IXDOHACOSA-N 0 3 291.391 2.533 20 30 CFEDHN N#CCCCN1CCC(n2cc(Br)cn2)CC1 ZINC000374009772 328989332 /nfs/dbraw/zinc/98/93/32/328989332.db2.gz GEJGCXWQBORWQO-UHFFFAOYSA-N 0 3 297.200 2.586 20 30 CFEDHN N#CCCCN1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377651252 329022979 /nfs/dbraw/zinc/02/29/79/329022979.db2.gz YUSNEUTWJCKNBG-ZFWWWQNUSA-N 0 3 278.783 2.651 20 30 CFEDHN C#CCN1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377721995 329027122 /nfs/dbraw/zinc/02/71/22/329027122.db2.gz NGUZJDGHMPTWSB-OAHLLOKOSA-N 0 3 292.423 2.589 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000377733638 329027480 /nfs/dbraw/zinc/02/74/80/329027480.db2.gz XMPRIPKMRCXHEB-OAHLLOKOSA-N 0 3 270.392 2.624 20 30 CFEDHN CC#CCCN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377730479 329027622 /nfs/dbraw/zinc/02/76/22/329027622.db2.gz YKGVKQRZUBDMMZ-GJZGRUSLSA-N 0 3 292.423 2.589 20 30 CFEDHN CC#CCN1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000377856360 329031867 /nfs/dbraw/zinc/03/18/67/329031867.db2.gz PPHIDFNFUCXCSV-HNNXBMFYSA-N 0 3 298.434 2.597 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000378315097 329045756 /nfs/dbraw/zinc/04/57/56/329045756.db2.gz OXXUHSPFERROTD-CSMYWGQOSA-N 0 3 286.375 2.635 20 30 CFEDHN C#CCOc1ccc(CN2CCCOC(C)(C)C2)cc1 ZINC000378347491 329047152 /nfs/dbraw/zinc/04/71/52/329047152.db2.gz VLOVMOKXRKMPRN-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CCN1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000171724491 329079324 /nfs/dbraw/zinc/07/93/24/329079324.db2.gz KDRAUHCNCVQMBR-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C2CCCC2)CC1 ZINC000172227286 329084135 /nfs/dbraw/zinc/08/41/35/329084135.db2.gz XLHRPXSYNIZADP-ZDUSSCGKSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@H]1CC[C@H](C)N(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174470849 329159158 /nfs/dbraw/zinc/15/91/58/329159158.db2.gz GCUGPGABDZBTKH-GJZGRUSLSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000175457361 329168511 /nfs/dbraw/zinc/16/85/11/329168511.db2.gz NQAKZFCHMQXTTB-CQSZACIVSA-N 0 3 252.402 2.579 20 30 CFEDHN N#CCSCCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000177189272 329181731 /nfs/dbraw/zinc/18/17/31/329181731.db2.gz JWPMJLNWCTZCRK-STQMWFEESA-N 0 3 270.467 2.993 20 30 CFEDHN C=C(C)CN(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000181048548 329225547 /nfs/dbraw/zinc/22/55/47/329225547.db2.gz DWMSHTCGNFEVKM-UHFFFAOYSA-N 0 3 280.375 2.967 20 30 CFEDHN C=CCOc1ccc(CNCC2(OC)CCC2)cc1OC ZINC000181078927 329225809 /nfs/dbraw/zinc/22/58/09/329225809.db2.gz DTSRCKNDJHKIFP-UHFFFAOYSA-N 0 3 291.391 2.919 20 30 CFEDHN CN(CCC#N)C(=O)CCN1CC=C(c2ccccc2)CC1 ZINC000181540910 329234157 /nfs/dbraw/zinc/23/41/57/329234157.db2.gz YPVDULFVWWTKJZ-UHFFFAOYSA-N 0 3 297.402 2.538 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000182189776 329240407 /nfs/dbraw/zinc/24/04/07/329240407.db2.gz IREHAHYWDNMSHI-OAHLLOKOSA-N 0 3 275.396 2.507 20 30 CFEDHN CC1(C#N)CCN(CCCOCC(F)(F)F)CC1 ZINC000227351475 329272294 /nfs/dbraw/zinc/27/22/94/329272294.db2.gz AIDALQCKUAAUFG-UHFFFAOYSA-N 0 3 264.291 2.581 20 30 CFEDHN N#CCSCCCN1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183354119 329247361 /nfs/dbraw/zinc/24/73/61/329247361.db2.gz PCUUAEGAUGGTAD-HNNXBMFYSA-N 0 3 294.395 2.926 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN[C@H]1CCC[C@H]1C#N ZINC000459479745 329261441 /nfs/dbraw/zinc/26/14/41/329261441.db2.gz OHFFQTFJMYWYFM-STQMWFEESA-N 0 3 266.385 2.638 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000185296741 329270417 /nfs/dbraw/zinc/27/04/17/329270417.db2.gz WOLWMICTRXFROH-LSDHHAIUSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000582966211 329294841 /nfs/dbraw/zinc/29/48/41/329294841.db2.gz GTSJPDXYUUSEJD-CZUORRHYSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC[C@@H](CC)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000583079696 329311087 /nfs/dbraw/zinc/31/10/87/329311087.db2.gz GNSFFPOKCIMEPV-CYBMUJFWSA-N 0 3 285.384 2.544 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(F)c(F)c1 ZINC000321292679 329340596 /nfs/dbraw/zinc/34/05/96/329340596.db2.gz HNHFEBKGWBTIMH-PWSUYJOCSA-N 0 3 255.308 2.943 20 30 CFEDHN CCOC(=O)c1cc(CNCC(C)(C)CC#N)[nH]c1C ZINC000459730444 329373843 /nfs/dbraw/zinc/37/38/43/329373843.db2.gz MGWYACCYLQZJFA-UHFFFAOYSA-N 0 3 277.368 2.529 20 30 CFEDHN C=CC1CCN(Cc2ccc(N(C)CC)nc2)CC1 ZINC000191354485 329413340 /nfs/dbraw/zinc/41/33/40/329413340.db2.gz FYBILDWEJAHIAY-UHFFFAOYSA-N 0 3 259.397 2.936 20 30 CFEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CC(C)(C)C#N ZINC000425601463 329555457 /nfs/dbraw/zinc/55/54/57/329555457.db2.gz GJEMIFNZABXION-OAHLLOKOSA-N 0 3 299.418 2.836 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2c(C)cccc2F)CC1 ZINC000133565533 329653453 /nfs/dbraw/zinc/65/34/53/329653453.db2.gz LUEWYYHEXDYOOI-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN C=CC(C)(C)CN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419227766 329712449 /nfs/dbraw/zinc/71/24/49/329712449.db2.gz KXQUWLVGRPALAV-CQSZACIVSA-N 0 3 260.381 2.618 20 30 CFEDHN C=CC(C)(C)CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000419230371 329712712 /nfs/dbraw/zinc/71/27/12/329712712.db2.gz PTKMFKRGQDVPEV-HNNXBMFYSA-N 0 3 290.382 2.947 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000248836366 329900416 /nfs/dbraw/zinc/90/04/16/329900416.db2.gz NBPMBAWSSLWXEO-YWPYICTPSA-N 0 3 286.379 2.910 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN[C@H]1CCC[C@H]1F ZINC000572149532 329947777 /nfs/dbraw/zinc/94/77/77/329947777.db2.gz ITDUEMACBSKEPM-OAGGEKHMSA-N 0 3 293.382 2.635 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264745985 330061854 /nfs/dbraw/zinc/06/18/54/330061854.db2.gz TXLPKTZIFCHBCV-TZMCWYRMSA-N 0 3 292.810 2.820 20 30 CFEDHN C=CC[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000421708870 330069116 /nfs/dbraw/zinc/06/91/16/330069116.db2.gz BIHZPVXBCIWCAG-DLBZAZTESA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@@H](C(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000421708871 330069201 /nfs/dbraw/zinc/06/92/01/330069201.db2.gz BIHZPVXBCIWCAG-IAGOWNOFSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C[C@H](CC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000421713195 330069381 /nfs/dbraw/zinc/06/93/81/330069381.db2.gz SABZZHZDMZXEIX-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc(F)c2C)CC1 ZINC000421766699 330077078 /nfs/dbraw/zinc/07/70/78/330077078.db2.gz GXXUCYRVWIYIND-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(Cl)cc1OC ZINC000421845523 330094617 /nfs/dbraw/zinc/09/46/17/330094617.db2.gz XLBJYOXZAMHUDL-CMPLNLGQSA-N 0 3 269.772 2.936 20 30 CFEDHN C#CCN(CC)Cc1cc(Cl)cc(OC)c1O ZINC000273770158 330097730 /nfs/dbraw/zinc/09/77/30/330097730.db2.gz QTLXHLABCJFYGQ-UHFFFAOYSA-N 0 3 253.729 2.509 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)Cc1ccc(F)cc1Cl ZINC000421863544 330098658 /nfs/dbraw/zinc/09/86/58/330098658.db2.gz YRUOIFPGMGVCTQ-CABZTGNLSA-N 0 3 257.736 2.547 20 30 CFEDHN CC#CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000278776797 330119824 /nfs/dbraw/zinc/11/98/24/330119824.db2.gz HBPVXKVSVUVGTG-RDJZCZTQSA-N 0 3 284.403 2.521 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H]2NCCCC2(C)C)c1 ZINC000423069112 330168187 /nfs/dbraw/zinc/16/81/87/330168187.db2.gz DGWUWZLHBAXRND-HNNXBMFYSA-N 0 3 288.391 2.968 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H]2C[C@H](C)CCN2)c1 ZINC000423077448 330168612 /nfs/dbraw/zinc/16/86/12/330168612.db2.gz MJVBKZUBZSVLEH-DOMZBBRYSA-N 0 3 274.364 2.578 20 30 CFEDHN CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424068736 330219766 /nfs/dbraw/zinc/21/97/66/330219766.db2.gz STLGPOSCNSCATP-ZBFHGGJFSA-N 0 3 287.407 2.835 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424072087 330220244 /nfs/dbraw/zinc/22/02/44/330220244.db2.gz WVROPRGMRXXNAR-ZIAGYGMSSA-N 0 3 293.798 2.928 20 30 CFEDHN Cc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424077081 330221108 /nfs/dbraw/zinc/22/11/08/330221108.db2.gz NKMFAYPQNJWBRC-NSHDSACASA-N 0 3 265.744 2.608 20 30 CFEDHN Cc1cccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424089027 330224286 /nfs/dbraw/zinc/22/42/86/330224286.db2.gz KLROCNVZZOZFAV-CVEARBPZSA-N 0 3 285.391 2.680 20 30 CFEDHN CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424091726 330225355 /nfs/dbraw/zinc/22/53/55/330225355.db2.gz FDWQRUNCLUVFSI-QWHCGFSZSA-N 0 3 291.420 2.605 20 30 CFEDHN CC(C)N(Cc1ccccc1F)C(=O)[C@H](N)CCCC#N ZINC000424092868 330226215 /nfs/dbraw/zinc/22/62/15/330226215.db2.gz QTFRUQBWCYXIKY-OAHLLOKOSA-N 0 3 291.370 2.584 20 30 CFEDHN CC(C)N(Cc1cccc(F)c1)C(=O)[C@H](N)CCCC#N ZINC000424093772 330226270 /nfs/dbraw/zinc/22/62/70/330226270.db2.gz SUNAVKBWRCIALO-OAHLLOKOSA-N 0 3 291.370 2.584 20 30 CFEDHN CCc1ccc(CN(C(=O)[C@H](N)CCCC#N)C2CC2)cc1 ZINC000424099456 330231591 /nfs/dbraw/zinc/23/15/91/330231591.db2.gz MDYVULCPVRJFNC-QGZVFWFLSA-N 0 3 299.418 2.761 20 30 CFEDHN CCCCOc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424100407 330233086 /nfs/dbraw/zinc/23/30/86/330233086.db2.gz KVHYAQICHRGCAV-HNNXBMFYSA-N 0 3 289.379 2.825 20 30 CFEDHN CC(C)COc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424104625 330233949 /nfs/dbraw/zinc/23/39/49/330233949.db2.gz UXZDZHPTLGYKQB-OAHLLOKOSA-N 0 3 289.379 2.681 20 30 CFEDHN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424105707 330234032 /nfs/dbraw/zinc/23/40/32/330234032.db2.gz WIYMJOIKYAFPEV-HZMBPMFUSA-N 0 3 295.333 2.505 20 30 CFEDHN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H](N)CCCC#N ZINC000424105708 330234134 /nfs/dbraw/zinc/23/41/34/330234134.db2.gz WIYMJOIKYAFPEV-IINYFYTJSA-N 0 3 295.333 2.505 20 30 CFEDHN CCC[C@@H](NC(=O)[C@H](N)CCCC#N)C1CCCCC1 ZINC000424115758 330243556 /nfs/dbraw/zinc/24/35/56/330243556.db2.gz VUCUHNQPOMLBPG-HUUCEWRRSA-N 0 3 279.428 2.873 20 30 CFEDHN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424117425 330243847 /nfs/dbraw/zinc/24/38/47/330243847.db2.gz YRIGEZWTIUPNSO-ZNMIVQPWSA-N 0 3 279.428 2.729 20 30 CFEDHN CC(C)(C)Oc1ccccc1NC(=O)[C@H](N)CCCC#N ZINC000424118789 330244738 /nfs/dbraw/zinc/24/47/38/330244738.db2.gz DVGODYXUJIKWLQ-GFCCVEGCSA-N 0 3 289.379 2.824 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424120135 330247962 /nfs/dbraw/zinc/24/79/62/330247962.db2.gz DNHUGJCNIJHOJO-VHSXEESVSA-N 0 3 299.827 2.990 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)CCCC#N ZINC000424122568 330254427 /nfs/dbraw/zinc/25/44/27/330254427.db2.gz HCKZWRPBNDXAMS-HNNXBMFYSA-N 0 3 277.412 2.602 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000424123537 330255759 /nfs/dbraw/zinc/25/57/59/330255759.db2.gz LBSAHZRPXJAGBJ-GFCCVEGCSA-N 0 3 299.296 2.751 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NC1(c2ccccc2)CCCC1 ZINC000424129540 330260238 /nfs/dbraw/zinc/26/02/38/330260238.db2.gz SCVOZGAVZYRCMY-OAHLLOKOSA-N 0 3 285.391 2.593 20 30 CFEDHN CC1(C#N)CCC(N[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000527999786 330300085 /nfs/dbraw/zinc/30/00/85/330300085.db2.gz QEBOTLHTNWGRPC-GULBITTBSA-N 0 3 283.375 2.612 20 30 CFEDHN C=CCn1cc(CN[C@H]2CC[C@@H](Cc3ccccc3)C2)nn1 ZINC000424167844 330309920 /nfs/dbraw/zinc/30/99/20/330309920.db2.gz DMQHGNZFYDKZDL-IRXDYDNUSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)Cc2ccc(Cl)cc2)nn1 ZINC000424168361 330310093 /nfs/dbraw/zinc/31/00/93/330310093.db2.gz FLUQWUHBJAHYNN-LBPRGKRZSA-N 0 3 290.798 2.838 20 30 CFEDHN C=CCn1cc(CNCC2CCC(C)(C)CC2)nn1 ZINC000424173024 330313612 /nfs/dbraw/zinc/31/36/12/330313612.db2.gz OTKPAIKQZPSWLO-UHFFFAOYSA-N 0 3 262.401 2.770 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)ccc1F ZINC000424173134 330313654 /nfs/dbraw/zinc/31/36/54/330313654.db2.gz PCYPLKHLDSIJQG-NHYWBVRUSA-N 0 3 265.328 2.515 20 30 CFEDHN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000424178217 330318122 /nfs/dbraw/zinc/31/81/22/330318122.db2.gz WEKHOXGBIPSBKN-DJIMGWMZSA-N 0 3 299.418 2.802 20 30 CFEDHN CCC(C#N)(CC)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000528305832 330320264 /nfs/dbraw/zinc/32/02/64/330320264.db2.gz XJGGRBIZOATVRD-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN CCCn1nc(C)c(CN[C@@H]2CC[C@H](C#N)C2)c1C ZINC000424187286 330320960 /nfs/dbraw/zinc/32/09/60/330320960.db2.gz AQNBAMQSIVWCBA-UONOGXRCSA-N 0 3 260.385 2.692 20 30 CFEDHN COc1cc(C)c(CN[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000424206025 330327658 /nfs/dbraw/zinc/32/76/58/330327658.db2.gz WNSSPTVKIIVFCQ-GXTWGEPZSA-N 0 3 274.364 2.794 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000429812755 330332088 /nfs/dbraw/zinc/33/20/88/330332088.db2.gz ZGEYIIFUNURFMC-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)C[C@H](C)CC)nn1 ZINC000424294932 330335881 /nfs/dbraw/zinc/33/58/81/330335881.db2.gz LWINTVPZPMYNMP-CHWSQXEVSA-N 0 3 250.390 2.769 20 30 CFEDHN CC(=O)Nc1ccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424336698 330343545 /nfs/dbraw/zinc/34/35/45/330343545.db2.gz YKCVOHAPHMLCCB-PVXIVEMSSA-N 0 3 271.364 2.988 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424447136 330352168 /nfs/dbraw/zinc/35/21/68/330352168.db2.gz UKUMZHLYCLGOTH-UHFFFAOYSA-N 0 3 259.353 2.660 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000087608653 330373668 /nfs/dbraw/zinc/37/36/68/330373668.db2.gz XDQJUOOQDSJCRK-KBPBESRZSA-N 0 3 250.386 2.960 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000424565670 330378527 /nfs/dbraw/zinc/37/85/27/330378527.db2.gz QLKUVAXMJQLADC-UHFFFAOYSA-N 0 3 274.408 2.967 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000120114056 330384612 /nfs/dbraw/zinc/38/46/12/330384612.db2.gz UYLXRLLQPYJASP-ZDUSSCGKSA-N 0 3 295.427 2.915 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000424582078 330387561 /nfs/dbraw/zinc/38/75/61/330387561.db2.gz HLWKCVNGIDQYND-KGLIPLIRSA-N 0 3 266.429 2.968 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000424584560 330389105 /nfs/dbraw/zinc/38/91/05/330389105.db2.gz NXXIIYVYFJBZOP-ZIAGYGMSSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000090451349 330392658 /nfs/dbraw/zinc/39/26/58/330392658.db2.gz HDVJWLUOVYZYON-ORAYPTAESA-N 0 3 281.421 2.667 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000120866277 330393087 /nfs/dbraw/zinc/39/30/87/330393087.db2.gz AEHIXWZLVACRHH-ARFHVFGLSA-N 0 3 293.455 2.895 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(CC)CC)CC1 ZINC000121178791 330396988 /nfs/dbraw/zinc/39/69/88/330396988.db2.gz GVAUHSOFBDESAB-UHFFFAOYSA-N 0 3 281.444 2.905 20 30 CFEDHN C=C[C@H](C)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000123199355 330455235 /nfs/dbraw/zinc/45/52/35/330455235.db2.gz RKKWCWNTVSYZOY-VIFPVBQESA-N 0 3 253.729 2.775 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000424773671 330488010 /nfs/dbraw/zinc/48/80/10/330488010.db2.gz GKGSQKXIBXWXIO-KGLIPLIRSA-N 0 3 296.480 2.627 20 30 CFEDHN C[C@H]1COCC[C@H]1NCC#Cc1ccccc1Cl ZINC000433145280 330618087 /nfs/dbraw/zinc/61/80/87/330618087.db2.gz GSHPTCFKQABXEH-SWLSCSKDSA-N 0 3 263.768 2.706 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2ccccc2n1C ZINC000435744397 330661832 /nfs/dbraw/zinc/66/18/32/330661832.db2.gz XENMTACKHXWJBI-SUMWQHHRSA-N 0 3 285.391 2.644 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2ccccc2n1C ZINC000435744395 330661885 /nfs/dbraw/zinc/66/18/85/330661885.db2.gz XENMTACKHXWJBI-DYVFJYSZSA-N 0 3 285.391 2.644 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@@]2(C#N)C[C@H]2C)N(C)C)cc1 ZINC000448609187 330728981 /nfs/dbraw/zinc/72/89/81/330728981.db2.gz ZIJIRANSDVLEMB-RPVQJOFSSA-N 0 3 299.418 2.518 20 30 CFEDHN Cc1ccn(-c2ccccc2CN[C@@H]2CC[C@@H](C#N)C2)n1 ZINC000442816274 330785353 /nfs/dbraw/zinc/78/53/53/330785353.db2.gz DOHZMYOKNWFLBA-GDBMZVCRSA-N 0 3 280.375 2.963 20 30 CFEDHN CCN1CCN(c2ccccc2N[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442859423 330787813 /nfs/dbraw/zinc/78/78/13/330787813.db2.gz ACGIDEYDJMIPPH-HZPDHXFCSA-N 0 3 298.434 2.933 20 30 CFEDHN CC[C@@H](NCC1CCC(C#N)CC1)c1ccn(C)n1 ZINC000442875049 330789577 /nfs/dbraw/zinc/78/95/77/330789577.db2.gz VHGCRJWBSQQEQD-JXQTWKCFSA-N 0 3 260.385 2.791 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H](CC(F)(F)F)C(C)C ZINC000445902244 330841468 /nfs/dbraw/zinc/84/14/68/330841468.db2.gz CWJBZLKJJMRNAJ-LBPRGKRZSA-N 0 3 294.361 2.978 20 30 CFEDHN CN(C)C(=O)C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000447539117 330868985 /nfs/dbraw/zinc/86/89/85/330868985.db2.gz FROPLDARJDJIEP-OIISXLGYSA-N 0 3 299.418 2.878 20 30 CFEDHN COc1cc2c(cc1CN[C@H]1CC[C@@H](CC#N)C1)OCO2 ZINC000449444788 330925922 /nfs/dbraw/zinc/92/59/22/330925922.db2.gz DIZCREKNNKHYFG-AAEUAGOBSA-N 0 3 288.347 2.596 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449445066 330926170 /nfs/dbraw/zinc/92/61/70/330926170.db2.gz GSTSXPASZBAOBS-JQWIXIFHSA-N 0 3 277.299 2.906 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)cc1Cl ZINC000449521848 330933710 /nfs/dbraw/zinc/93/37/10/330933710.db2.gz SROHNKBONIWRFH-KGLIPLIRSA-N 0 3 267.756 2.782 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)cc(OC)c1 ZINC000449547683 330935454 /nfs/dbraw/zinc/93/54/54/330935454.db2.gz JLUNTINHSLEWIV-CABCVRRESA-N 0 3 265.328 2.658 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(C(=O)OC)ccc1Cl ZINC000449699710 330944624 /nfs/dbraw/zinc/94/46/24/330944624.db2.gz RQMSPVRWTVVZQF-CYBMUJFWSA-N 0 3 297.782 2.543 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(SC)c(OC)c1 ZINC000449701446 330944917 /nfs/dbraw/zinc/94/49/17/330944917.db2.gz WJNRSWSPCYPJIO-ZDUSSCGKSA-N 0 3 281.421 2.834 20 30 CFEDHN C=C(CC)CNCc1ccccc1N1CCN(CC)CC1 ZINC000449732090 330946408 /nfs/dbraw/zinc/94/64/08/330946408.db2.gz KYIHQHRDEXUKTJ-UHFFFAOYSA-N 0 3 287.451 2.884 20 30 CFEDHN C=CC[C@@H](CO)Nc1ccnc2ccc(CC)cc21 ZINC000450444836 330980125 /nfs/dbraw/zinc/98/01/25/330980125.db2.gz ZUVSUKYRNUOVKF-ZDUSSCGKSA-N 0 3 256.349 2.568 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCCN(C)[C@@H]2C)CCCC1 ZINC000450795450 331000046 /nfs/dbraw/zinc/00/00/46/331000046.db2.gz OGKLTVCHFSENLC-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN COCC1(C#N)CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000450930365 331007664 /nfs/dbraw/zinc/00/76/64/331007664.db2.gz MGMOWRKIMIDBAB-LBPRGKRZSA-N 0 3 272.339 2.674 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCC#Cc2ccccc2)C12CCC2 ZINC000451480923 331031146 /nfs/dbraw/zinc/03/11/46/331031146.db2.gz QGGIHJAFRCTZMH-IAGOWNOFSA-N 0 3 269.388 2.975 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000451594212 331035380 /nfs/dbraw/zinc/03/53/80/331035380.db2.gz AXEDBSUOFYIVSU-BMFZPTHFSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451601877 331035944 /nfs/dbraw/zinc/03/59/44/331035944.db2.gz CBGSNPCUVRDADO-HONMWMINSA-N 0 3 262.309 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc2cccnc21 ZINC000451610256 331036742 /nfs/dbraw/zinc/03/67/42/331036742.db2.gz XZQCOVPVFBWPHL-CABCVRRESA-N 0 3 272.323 2.807 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000451610591 331036833 /nfs/dbraw/zinc/03/68/33/331036833.db2.gz GSOGJSOGDQHRKW-QLFBSQMISA-N 0 3 281.783 2.961 20 30 CFEDHN C=C(CC)CN(CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451702562 331039775 /nfs/dbraw/zinc/03/97/75/331039775.db2.gz AGAKEOXAJBMTNM-HNNXBMFYSA-N 0 3 288.391 2.654 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@H](C)CCC1(C)C ZINC000452013630 331050479 /nfs/dbraw/zinc/05/04/79/331050479.db2.gz ZDBOJLKSXXCUBR-CYBMUJFWSA-N 0 3 252.402 2.674 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452170276 331057046 /nfs/dbraw/zinc/05/70/46/331057046.db2.gz IETHOBJSSDMSRH-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452342596 331062799 /nfs/dbraw/zinc/06/27/99/331062799.db2.gz IHLZVOIWSVCNSB-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000452516119 331067251 /nfs/dbraw/zinc/06/72/51/331067251.db2.gz WBCSSCXDFPQDEX-GUBZILKMSA-N 0 3 262.275 2.773 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ccncn1)C(C)C ZINC000453069662 331086366 /nfs/dbraw/zinc/08/63/66/331086366.db2.gz CCMLZENFSZRLRD-NVXWUHKLSA-N 0 3 288.439 2.826 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000453322945 331116570 /nfs/dbraw/zinc/11/65/70/331116570.db2.gz AKXLVIIPOSUWQL-KFWWJZLASA-N 0 3 289.375 2.842 20 30 CFEDHN C=CCC[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccco1 ZINC000453331277 331117668 /nfs/dbraw/zinc/11/76/68/331117668.db2.gz HKKLYVDPPGDXKC-OWCLPIDISA-N 0 3 290.407 2.740 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000453354084 331121221 /nfs/dbraw/zinc/12/12/21/331121221.db2.gz KJDQFCVZPRTKDP-UHTWSYAYSA-N 0 3 291.420 2.937 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453358422 331121962 /nfs/dbraw/zinc/12/19/62/331121962.db2.gz OBYTVXKVZHCDLV-CHWSQXEVSA-N 0 3 278.352 2.881 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cnn(C(C)C)c1C ZINC000453378428 331125459 /nfs/dbraw/zinc/12/54/59/331125459.db2.gz 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/nfs/dbraw/zinc/18/35/56/331183556.db2.gz GFUZXDSARYKMFK-GJZGRUSLSA-N 0 3 288.416 2.723 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000456060423 331183649 /nfs/dbraw/zinc/18/36/49/331183649.db2.gz SEDZEVVGUBGZRO-ULQDDVLXSA-N 0 3 295.386 2.958 20 30 CFEDHN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)C(C)C#N ZINC000456880744 331208258 /nfs/dbraw/zinc/20/82/58/331208258.db2.gz MBQDMSAXHDGMKA-SNVBAGLBSA-N 0 3 298.745 2.614 20 30 CFEDHN C=CC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000164345350 331209246 /nfs/dbraw/zinc/20/92/46/331209246.db2.gz SGGLLDYMYWFXIZ-ZWNOBZJWSA-N 0 3 283.368 2.598 20 30 CFEDHN CC(C#N)C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000458025065 331241101 /nfs/dbraw/zinc/24/11/01/331241101.db2.gz XPFYEHRGYVKVHH-LLVKDONJSA-N 0 3 276.767 2.939 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458081488 331242380 /nfs/dbraw/zinc/24/23/80/331242380.db2.gz HMFKSAKWKJPGJU-VHDGCEQUSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458207137 331245178 /nfs/dbraw/zinc/24/51/78/331245178.db2.gz VVCHXTPIZHKGFT-UHFFFAOYSA-N 0 3 266.410 2.605 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@]2(C)CC=CCC2)CC1 ZINC000458316782 331248327 /nfs/dbraw/zinc/24/83/27/331248327.db2.gz HTJZTDJPDGGLAJ-QGZVFWFLSA-N 0 3 291.439 2.825 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000458808879 331260592 /nfs/dbraw/zinc/26/05/92/331260592.db2.gz JUZCJRRIGKNYIP-UONOGXRCSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CCCN(C(C)C)CC1 ZINC000458811048 331260898 /nfs/dbraw/zinc/26/08/98/331260898.db2.gz OAKFRBLKAROTFQ-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(C)CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000458993692 331265116 /nfs/dbraw/zinc/26/51/16/331265116.db2.gz FJJFKFCCZWXWGU-OAHLLOKOSA-N 0 3 293.386 2.694 20 30 CFEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000459031273 331267316 /nfs/dbraw/zinc/26/73/16/331267316.db2.gz VVRMMQFCKUTESD-UHFFFAOYSA-N 0 3 289.423 2.726 20 30 CFEDHN C=C(C)CN(C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459391121 331279628 /nfs/dbraw/zinc/27/96/28/331279628.db2.gz BXZYFJKFTSNPQL-UHFFFAOYSA-N 0 3 269.348 2.857 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000459464347 331282970 /nfs/dbraw/zinc/28/29/70/331282970.db2.gz OMNPSOXIPMBCTP-GASCZTMLSA-N 0 3 271.408 2.667 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000459470732 331283367 /nfs/dbraw/zinc/28/33/67/331283367.db2.gz UTZCIBPBZBPHEE-LLVKDONJSA-N 0 3 299.798 2.719 20 30 CFEDHN COC(=O)[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000459552072 331287495 /nfs/dbraw/zinc/28/74/95/331287495.db2.gz QPIYODJKYQBTMU-XLNGHYISSA-N 0 3 298.386 2.567 20 30 CFEDHN CCc1nn(C)c(CC)c1CNCC(C)(C)CC#N ZINC000459725480 331294377 /nfs/dbraw/zinc/29/43/77/331294377.db2.gz COWSICZGBLGNRX-UHFFFAOYSA-N 0 3 262.401 2.574 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464789589 331368506 /nfs/dbraw/zinc/36/85/06/331368506.db2.gz PARQIDGJZCQRJT-MRXNPFEDSA-N 0 3 292.398 2.627 20 30 CFEDHN C=CCCCCNC(=O)[C@H](C)N1CCCCCC1 ZINC000471703870 331516862 /nfs/dbraw/zinc/51/68/62/331516862.db2.gz AZEWJIDMBJXPMJ-AWEZNQCLSA-N 0 3 252.402 2.723 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000488553525 332017084 /nfs/dbraw/zinc/01/70/84/332017084.db2.gz WZRKKDJSHDXGPX-KRWDZBQOSA-N 0 3 297.402 2.707 20 30 CFEDHN C=CCCCCCN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488806479 332026298 /nfs/dbraw/zinc/02/62/98/332026298.db2.gz ZSMXLSNVGQRXJU-MRXNPFEDSA-N 0 3 293.455 2.811 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1C ZINC000489453326 332053434 /nfs/dbraw/zinc/05/34/34/332053434.db2.gz YWOYSSZMPRSKOK-JKSUJKDBSA-N 0 3 275.392 2.775 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000490205988 332084767 /nfs/dbraw/zinc/08/47/67/332084767.db2.gz VOMNPAQUCKCZJX-YUELXQCFSA-N 0 3 256.349 2.989 20 30 CFEDHN C#CCN(CC[C@@H]1CCOC1)Cc1ccc(F)cc1 ZINC000490713765 332107425 /nfs/dbraw/zinc/10/74/25/332107425.db2.gz MFBKYZLMLFQAKC-OAHLLOKOSA-N 0 3 261.340 2.688 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490986552 332136416 /nfs/dbraw/zinc/13/64/16/332136416.db2.gz UJXTXNXKVMDFHD-CZUORRHYSA-N 0 3 280.412 2.587 20 30 CFEDHN C#CCN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000491093130 332148234 /nfs/dbraw/zinc/14/82/34/332148234.db2.gz DRCVXENWHAONDD-CYBMUJFWSA-N 0 3 279.343 2.618 20 30 CFEDHN C#CCNC(=O)C1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC000491374663 332199904 /nfs/dbraw/zinc/19/99/04/332199904.db2.gz RZEAWFKZEYQFRA-UHFFFAOYSA-N 0 3 296.414 2.525 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491425613 332209026 /nfs/dbraw/zinc/20/90/26/332209026.db2.gz BBULAERKKVERLL-FZMZJTMJSA-N 0 3 285.309 2.562 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccsc1)C(C)C ZINC000491485990 332220737 /nfs/dbraw/zinc/22/07/37/332220737.db2.gz RZFAATFHTATCPI-CYBMUJFWSA-N 0 3 259.378 2.886 20 30 CFEDHN C#C[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000491486431 332220907 /nfs/dbraw/zinc/22/09/07/332220907.db2.gz WBSXMDIXNFTPKN-UONOGXRCSA-N 0 3 269.747 2.760 20 30 CFEDHN C#C[C@H](CC)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000491555593 332237636 /nfs/dbraw/zinc/23/76/36/332237636.db2.gz RZDAOSDTOLNKET-GFCCVEGCSA-N 0 3 284.359 2.636 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000491675645 332281314 /nfs/dbraw/zinc/28/13/14/332281314.db2.gz ZTFTZNIWNNZPBP-CVEARBPZSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1ccc(C)cc1C ZINC000491691200 332288166 /nfs/dbraw/zinc/28/81/66/332288166.db2.gz FKSIPCHFFXNPCW-UHFFFAOYSA-N 0 3 289.448 2.545 20 30 CFEDHN C#CCN(Cc1cc(-c2cnn(C)c2)no1)C1CCCCC1 ZINC000491702310 332296414 /nfs/dbraw/zinc/29/64/14/332296414.db2.gz VQELFAFPJNBAKB-UHFFFAOYSA-N 0 3 298.390 2.843 20 30 CFEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1cccc(C)c1 ZINC000491715449 332305674 /nfs/dbraw/zinc/30/56/74/332305674.db2.gz JXNZOEWCUMTIKW-HNNXBMFYSA-N 0 3 253.349 2.887 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000491740351 332319353 /nfs/dbraw/zinc/31/93/53/332319353.db2.gz YJJSXCNQUNMKIZ-HUUCEWRRSA-N 0 3 292.423 2.589 20 30 CFEDHN C#C[C@H](NC[C@@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000491773724 332339690 /nfs/dbraw/zinc/33/96/90/332339690.db2.gz SGZNQFBVLDIQES-UONOGXRCSA-N 0 3 269.747 2.760 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1cnn(C2CCCC2)c1 ZINC000491781483 332345534 /nfs/dbraw/zinc/34/55/34/332345534.db2.gz KLYBDUCRCLOJKV-HNNXBMFYSA-N 0 3 288.439 2.604 20 30 CFEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc(C)cc1 ZINC000491805521 332359159 /nfs/dbraw/zinc/35/91/59/332359159.db2.gz OTHZQALAULXEQG-HNNXBMFYSA-N 0 3 253.349 2.887 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/C(=C/C)CC)CC1 ZINC000492158987 332385082 /nfs/dbraw/zinc/38/50/82/332385082.db2.gz XWBDQMASSHBBBC-LBCKLQKASA-N 0 3 262.397 2.666 20 30 CFEDHN C[C@H]1OCC[C@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000494242324 332467942 /nfs/dbraw/zinc/46/79/42/332467942.db2.gz ROEMZMZMHKRDIB-DOMZBBRYSA-N 0 3 263.768 2.849 20 30 CFEDHN C=C1CCN(C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496618926 332554808 /nfs/dbraw/zinc/55/48/08/332554808.db2.gz VHXAGSBMDXVXTA-RHSMWYFYSA-N 0 3 292.423 2.895 20 30 CFEDHN CC(C)(C)OC(=O)N(CCNCCCC#N)C(C)(C)C ZINC000496814231 332561088 /nfs/dbraw/zinc/56/10/88/332561088.db2.gz ALLXTAKWEVDVGW-UHFFFAOYSA-N 0 3 283.416 2.915 20 30 CFEDHN CC#CCN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513728694 332683773 /nfs/dbraw/zinc/68/37/73/332683773.db2.gz JRJCVNZFWCLYMD-LSDHHAIUSA-N 0 3 265.303 2.878 20 30 CFEDHN C=CCCCNC(=O)N(CCC)CCN1CCCCC1 ZINC000503355962 332687250 /nfs/dbraw/zinc/68/72/50/332687250.db2.gz LBVGSKJJAYSUBM-UHFFFAOYSA-N 0 3 281.444 2.860 20 30 CFEDHN CCN(CC)C(=O)[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000174860193 333009433 /nfs/dbraw/zinc/00/94/33/333009433.db2.gz RUMGQXWQVNRBGT-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1CC12CCSCC2 ZINC000516963949 333088265 /nfs/dbraw/zinc/08/82/65/333088265.db2.gz FZWFXIPKYKTVBB-OLZOCXBDSA-N 0 3 263.410 2.553 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@H](C)C1 ZINC000219915301 333159245 /nfs/dbraw/zinc/15/92/45/333159245.db2.gz HUUBBDXJSWWBAN-HIFRSBDPSA-N 0 3 261.365 2.909 20 30 CFEDHN C[C@H]1CCN(CC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000575880565 335127997 /nfs/dbraw/zinc/12/79/97/335127997.db2.gz WSLAFKQEANYKMN-DOTOQJQBSA-N 0 3 299.418 2.880 20 30 CFEDHN CC[C@H](CC#N)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195224205 333248300 /nfs/dbraw/zinc/24/83/00/333248300.db2.gz YUWIVCZCMCJUJB-CJNGLKHVSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCCCCCN1CCN(Cc2ccncc2)CC1 ZINC000193453694 333250347 /nfs/dbraw/zinc/25/03/47/333250347.db2.gz FJKQVVNLJQIUJL-UHFFFAOYSA-N 0 3 273.424 2.946 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000575917106 335130596 /nfs/dbraw/zinc/13/05/96/335130596.db2.gz ITDUEMACBSKEPM-HRCADAONSA-N 0 3 293.382 2.635 20 30 CFEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCC1 ZINC000524593707 333367744 /nfs/dbraw/zinc/36/77/44/333367744.db2.gz MXQWFBBZFCYXEJ-UHFFFAOYSA-N 0 3 277.412 2.546 20 30 CFEDHN CCC(CC)(NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000066497898 333624544 /nfs/dbraw/zinc/62/45/44/333624544.db2.gz KKYBISYCMXFAOV-UHFFFAOYSA-N 0 3 293.798 2.585 20 30 CFEDHN C=C(Cl)CNCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000127330369 333626973 /nfs/dbraw/zinc/62/69/73/333626973.db2.gz HQIYRKJMLIBULS-UHFFFAOYSA-N 0 3 288.819 2.976 20 30 CFEDHN COc1cccc(CN2CCC(CC#N)CC2)c1OC ZINC000540992252 333757160 /nfs/dbraw/zinc/75/71/60/333757160.db2.gz DEMRNEUEGBQLEA-UHFFFAOYSA-N 0 3 274.364 2.829 20 30 CFEDHN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(CC#N)CC1 ZINC000541951189 333803657 /nfs/dbraw/zinc/80/36/57/333803657.db2.gz BEGHDZNFUDXFSV-QLFBSQMISA-N 0 3 291.439 2.790 20 30 CFEDHN N#CCC1CCN(CCOc2cccc(F)c2)CC1 ZINC000541952172 333803921 /nfs/dbraw/zinc/80/39/21/333803921.db2.gz RMPGLNDPJZYZRP-UHFFFAOYSA-N 0 3 262.328 2.830 20 30 CFEDHN C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@@H]1CO ZINC000132818284 334006269 /nfs/dbraw/zinc/00/62/69/334006269.db2.gz BHZHSMNQGSNRLO-CZUORRHYSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000075885834 334056959 /nfs/dbraw/zinc/05/69/59/334056959.db2.gz RIZNPFREZIJURU-INIZCTEOSA-N 0 3 274.408 2.550 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H](CC)Cc1ccc(C)cc1 ZINC000075885835 334057027 /nfs/dbraw/zinc/05/70/27/334057027.db2.gz RIZNPFREZIJURU-MRXNPFEDSA-N 0 3 274.408 2.550 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000134964826 334109782 /nfs/dbraw/zinc/10/97/82/334109782.db2.gz WEJVQAFTLYCPIP-HOCLYGCPSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(C)CCCCC2)CC1 ZINC000547708094 334110526 /nfs/dbraw/zinc/11/05/26/334110526.db2.gz KACIKJUHAFEQSE-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000548108592 334140288 /nfs/dbraw/zinc/14/02/88/334140288.db2.gz DJJKUWZEJZMSEG-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN CN(Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@@H](C#N)C1 ZINC000549741824 334203321 /nfs/dbraw/zinc/20/33/21/334203321.db2.gz SDJDFKKJUYYGGK-OCCSQVGLSA-N 0 3 272.348 2.582 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(F)c2ccccc21 ZINC000551149093 334239609 /nfs/dbraw/zinc/23/96/09/334239609.db2.gz WLDFGNCCPOZOLY-LBPRGKRZSA-N 0 3 286.350 2.932 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccccc1-n1ccnn1 ZINC000552260944 334309937 /nfs/dbraw/zinc/30/99/37/334309937.db2.gz UMHQMZDOXZDWNO-ZDUSSCGKSA-N 0 3 281.363 2.612 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000249289742 334331451 /nfs/dbraw/zinc/33/14/51/334331451.db2.gz AEHIXWZLVACRHH-BZUAXINKSA-N 0 3 293.455 2.895 20 30 CFEDHN N#CCCNc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000566124873 334625773 /nfs/dbraw/zinc/62/57/73/334625773.db2.gz BKDMHEOUCPATQB-UHFFFAOYSA-N 0 3 284.407 2.544 20 30 CFEDHN CC(C)N(C(=O)CN1CCC(CCC#N)CC1)C(C)C ZINC000566559106 334655336 /nfs/dbraw/zinc/65/53/36/334655336.db2.gz VVTKHZGMKCMQNP-UHFFFAOYSA-N 0 3 279.428 2.648 20 30 CFEDHN CCn1cccc1CNCc1ccc(CC#N)cc1 ZINC000572962221 334895303 /nfs/dbraw/zinc/89/53/03/334895303.db2.gz WRAWPXIERKLCIP-UHFFFAOYSA-N 0 3 253.349 2.864 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(CC#N)cc2)CC[C@H]1C ZINC000342728362 335186313 /nfs/dbraw/zinc/18/63/13/335186313.db2.gz HJXDVIHTSSZBQE-CJNGLKHVSA-N 0 3 258.365 2.609 20 30 CFEDHN C=CCC[C@@H](NCCc1cncn1C)c1ccco1 ZINC000576638979 335229224 /nfs/dbraw/zinc/22/92/24/335229224.db2.gz PKRFGJXMVWMECL-CQSZACIVSA-N 0 3 259.353 2.853 20 30 CFEDHN CNC(=O)c1ccc(CN2CCC(CCC#N)CC2)cc1 ZINC000577488196 335357897 /nfs/dbraw/zinc/35/78/97/335357897.db2.gz SDIKCJQZFMWEGL-UHFFFAOYSA-N 0 3 285.391 2.562 20 30 CFEDHN C=CCCCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000577623502 335380668 /nfs/dbraw/zinc/38/06/68/335380668.db2.gz RBTQLMOYRYEGQQ-HZPDHXFCSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1sccc1OC ZINC000349425741 335466818 /nfs/dbraw/zinc/46/68/18/335466818.db2.gz VMLHIKIXQAPSGM-WDEREUQCSA-N 0 3 255.383 2.592 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1cccs1)C1CCCC1 ZINC000179907382 335531175 /nfs/dbraw/zinc/53/11/75/335531175.db2.gz DPEYLIXAKYPJSO-HNNXBMFYSA-N 0 3 278.421 2.871 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1cccc(-c2ccncc2)c1 ZINC000180033416 335542591 /nfs/dbraw/zinc/54/25/91/335542591.db2.gz ODGQGJWRMMRJAM-CQSZACIVSA-N 0 3 295.386 2.701 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2c(C)cccc2C)CC1 ZINC000180286764 335566986 /nfs/dbraw/zinc/56/69/86/335566986.db2.gz UROJRCOYKMWMET-UHFFFAOYSA-N 0 3 286.419 2.613 20 30 CFEDHN C=CCOc1ccccc1CNCCOC(F)(F)F ZINC000353240592 335749667 /nfs/dbraw/zinc/74/96/67/335749667.db2.gz ULRCIPVTHJDAFW-UHFFFAOYSA-N 0 3 275.270 2.877 20 30 CFEDHN CCOc1cc(CN2CCC(CC#N)CC2)ccc1O ZINC000580819544 335970516 /nfs/dbraw/zinc/97/05/16/335970516.db2.gz PSRWBZMIARBCLY-UHFFFAOYSA-N 0 3 274.364 2.917 20 30 CFEDHN C=CCSCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000194552278 336029910 /nfs/dbraw/zinc/02/99/10/336029910.db2.gz IUZVLMZTVWLHEU-UHFFFAOYSA-N 0 3 293.436 2.789 20 30 CFEDHN C=C1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000382528142 336092433 /nfs/dbraw/zinc/09/24/33/336092433.db2.gz DHHPEGSEUSLNEY-HIFRSBDPSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001085582056 782109375 /nfs/dbraw/zinc/10/93/75/782109375.db2.gz AQEHVOUCMYCVEB-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001085581948 782108378 /nfs/dbraw/zinc/10/83/78/782108378.db2.gz XRFUBJLLOILJGQ-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607616 782113000 /nfs/dbraw/zinc/11/30/00/782113000.db2.gz VIMHCPHZWZQWPF-LTIDMASMSA-N 0 3 288.435 2.698 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085673664 782132294 /nfs/dbraw/zinc/13/22/94/782132294.db2.gz BNKMXFFYQHPBBQ-CKDBGZEDSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccn2ccccc12 ZINC001085716657 782143097 /nfs/dbraw/zinc/14/30/97/782143097.db2.gz QJWBZEITDDXOLA-HNNXBMFYSA-N 0 3 297.402 2.662 20 30 CFEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCCCC#N ZINC000172128402 500613977 /nfs/dbraw/zinc/61/39/77/500613977.db2.gz SRAVAAAJFWYGPL-UHFFFAOYSA-N 0 3 299.374 2.918 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](O)CC(F)(F)F ZINC000425537684 534081289 /nfs/dbraw/zinc/08/12/89/534081289.db2.gz QQLGRPPCCXYXSU-GWCFXTLKSA-N 0 3 286.297 2.864 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC(C)(C)C#N)C1 ZINC000352045562 534131918 /nfs/dbraw/zinc/13/19/18/534131918.db2.gz CHKPREBXXOSDOI-ZBFHGGJFSA-N 0 3 299.418 2.878 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000336603265 534281475 /nfs/dbraw/zinc/28/14/75/534281475.db2.gz AURAQVLHPMANLF-MRVPVSSYSA-N 0 3 254.692 2.597 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000347116866 534284457 /nfs/dbraw/zinc/28/44/57/534284457.db2.gz SPBFROCVAVCBSG-PWSUYJOCSA-N 0 3 271.345 2.508 20 30 CFEDHN C[C@H]1OCC[C@@]1(C)NCC#Cc1ccccc1Cl ZINC000494236527 518185076 /nfs/dbraw/zinc/18/50/76/518185076.db2.gz DVOLWAGKBCDTSY-IUODEOHRSA-N 0 3 263.768 2.849 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182546029 518727222 /nfs/dbraw/zinc/72/72/22/518727222.db2.gz LLJKIGYTIOXADX-LRDDRELGSA-N 0 3 276.380 2.623 20 30 CFEDHN CC(C)C[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305804359 519361965 /nfs/dbraw/zinc/36/19/65/519361965.db2.gz FWRKWLUAPGWLAD-WCQYABFASA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)CN(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000055386786 519709994 /nfs/dbraw/zinc/70/99/94/519709994.db2.gz MIQBRJTXBFWHQE-UHFFFAOYSA-N 0 3 271.364 2.617 20 30 CFEDHN N#CCCCNCc1cnc(-c2ccncc2)s1 ZINC000344370823 534612971 /nfs/dbraw/zinc/61/29/71/534612971.db2.gz YUBZGPWGRXPVLR-UHFFFAOYSA-N 0 3 258.350 2.598 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000263958089 534621363 /nfs/dbraw/zinc/62/13/63/534621363.db2.gz CUORGWNEULVHCG-MRXNPFEDSA-N 0 3 272.392 2.733 20 30 CFEDHN COC(=O)C(C)(C)CCNC1(c2cccc(C#N)c2)CC1 ZINC000338568530 522772769 /nfs/dbraw/zinc/77/27/69/522772769.db2.gz QDELMBOCBARXQI-UHFFFAOYSA-N 0 3 286.375 2.726 20 30 CFEDHN CN(CC[C@H]1CCCO1)Cc1ccc(C#N)c(F)c1 ZINC000361841826 522937532 /nfs/dbraw/zinc/93/75/32/522937532.db2.gz GXHGWNGCUCDZCX-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)C[C@H]1CCCC[C@@H]1O ZINC000305807535 523519208 /nfs/dbraw/zinc/51/92/08/523519208.db2.gz KMYZHDBBFIUYFC-ZBFHGGJFSA-N 0 3 288.391 2.550 20 30 CFEDHN COCCN(Cc1ccc(C#N)o1)[C@H]1CC[C@@H](C)C1 ZINC000361643432 523743536 /nfs/dbraw/zinc/74/35/36/523743536.db2.gz MLOYXGKTTYFOGY-OLZOCXBDSA-N 0 3 262.353 2.788 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000234842606 523759943 /nfs/dbraw/zinc/75/99/43/523759943.db2.gz NVORLMOXDDBIAJ-ZIAGYGMSSA-N 0 3 262.328 2.600 20 30 CFEDHN CN1CCC2(CCCN2C(=O)Nc2cccc(C#N)c2)CC1 ZINC000336614772 523787534 /nfs/dbraw/zinc/78/75/34/523787534.db2.gz MEJIGNKJTHPTTC-UHFFFAOYSA-N 0 3 298.390 2.650 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc3cc[nH]c3n2)C1 ZINC000353611917 534748273 /nfs/dbraw/zinc/74/82/73/534748273.db2.gz PNXOQLJATRZZTB-WCQYABFASA-N 0 3 254.337 2.735 20 30 CFEDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1c[nH]nc1-c1ccccc1 ZINC000329229954 534761586 /nfs/dbraw/zinc/76/15/86/534761586.db2.gz DAGPIRFIDHFARB-CYBMUJFWSA-N 0 3 296.374 2.618 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)nc1 ZINC000361195867 524388660 /nfs/dbraw/zinc/38/86/60/524388660.db2.gz OQCXIGUEPSECBO-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CCN(C2CC2)C1 ZINC000336256556 524613752 /nfs/dbraw/zinc/61/37/52/524613752.db2.gz FAUGLTSFMAAAPX-ZDUSSCGKSA-N 0 3 287.382 2.613 20 30 CFEDHN C=CCC[C@@H](NCCn1cncn1)c1ccccc1 ZINC000269428541 534798304 /nfs/dbraw/zinc/79/83/04/534798304.db2.gz OKILLDFMBVJXRN-OAHLLOKOSA-N 0 3 256.353 2.575 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192141411 534799479 /nfs/dbraw/zinc/79/94/79/534799479.db2.gz UYEJYMKSVYQJSF-DAXOMENPSA-N 0 3 297.345 2.712 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@](C)(CC)c1nc(C)cs1 ZINC000268534731 534799590 /nfs/dbraw/zinc/79/95/90/534799590.db2.gz JLACMHCAHIZFOM-OCCSQVGLSA-N 0 3 268.426 2.993 20 30 CFEDHN Cc1cc(CN2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000336422518 524681203 /nfs/dbraw/zinc/68/12/03/524681203.db2.gz YUHFYUPLJPYQPE-CQSZACIVSA-N 0 3 257.337 2.614 20 30 CFEDHN Cc1cc(CN[C@H]2CCCc3cn[nH]c32)ccc1C#N ZINC000336426306 524783360 /nfs/dbraw/zinc/78/33/60/524783360.db2.gz FROCMEHLBBPFLF-HNNXBMFYSA-N 0 3 266.348 2.757 20 30 CFEDHN C[C@@H]1COCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000305855799 525141820 /nfs/dbraw/zinc/14/18/20/525141820.db2.gz DVQPCAZYCBFWQP-QMTHXVAHSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@@H]1C[C@@H](C)N1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000336055338 525220711 /nfs/dbraw/zinc/22/07/11/525220711.db2.gz KREMSOKVVHVGII-CHWSQXEVSA-N 0 3 280.375 2.941 20 30 CFEDHN C[C@H](NC[C@@H]1[C@H]2COC[C@H]21)c1ccc(C#N)cc1Cl ZINC000367692397 525400789 /nfs/dbraw/zinc/40/07/89/525400789.db2.gz YUQDIZDGWVWCQA-NZPIUUIZSA-N 0 3 276.767 2.755 20 30 CFEDHN C[C@H](NC[C@H]1CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305802366 525413880 /nfs/dbraw/zinc/41/38/80/525413880.db2.gz DZKXUKXYZMCFCD-NORZTCDRSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCOC1 ZINC000162837846 525437224 /nfs/dbraw/zinc/43/72/24/525437224.db2.gz ZNUDCHZRHOGDQW-GXFFZTMASA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@@H]1Cc2ccccc2[C@H]1NCc1cc(C#N)n(C)c1 ZINC000336081465 525540413 /nfs/dbraw/zinc/54/04/13/525540413.db2.gz CJAGVWPGZQLTEH-PXAZEXFGSA-N 0 3 265.360 2.920 20 30 CFEDHN Cc1ccoc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000319540034 525796323 /nfs/dbraw/zinc/79/63/23/525796323.db2.gz DNFPRQHASOFUAH-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN C[C@@H](O)C[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000305005179 525836006 /nfs/dbraw/zinc/83/60/06/525836006.db2.gz BXBUGFJHRQMUNI-UKRRQHHQSA-N 0 3 284.359 2.796 20 30 CFEDHN Cc1c([C@H](C)N[C@@H]2CCc3ccc(C#N)cc32)cnn1C ZINC000334980600 525922849 /nfs/dbraw/zinc/92/28/49/525922849.db2.gz AXPMODSEHRMFCQ-APPDUMDISA-N 0 3 280.375 2.938 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cn2ccnn2)CC1 ZINC000156128979 526037385 /nfs/dbraw/zinc/03/73/85/526037385.db2.gz YZWROYIQHYGMRT-AWEZNQCLSA-N 0 3 295.390 2.623 20 30 CFEDHN Cc1cc(C#N)cc(NC2CCN(C3CC3)CC2)c1 ZINC000308108928 526185777 /nfs/dbraw/zinc/18/57/77/526185777.db2.gz RIMQXOFJZKKSRO-UHFFFAOYSA-N 0 3 255.365 2.905 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H](O)Cc1ccccc1 ZINC000352721752 526325207 /nfs/dbraw/zinc/32/52/07/526325207.db2.gz XAQXEIMMXGPULP-KRWDZBQOSA-N 0 3 285.387 2.914 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1cccc(C(=O)NC)c1 ZINC000352721560 526326616 /nfs/dbraw/zinc/32/66/16/526326616.db2.gz TZRVQROZHFBXSL-UHFFFAOYSA-N 0 3 298.386 2.870 20 30 CFEDHN C=C(C)CCN1CCN(c2ccccc2OC)CC1 ZINC000352112103 526445021 /nfs/dbraw/zinc/44/50/21/526445021.db2.gz ADZMNILODLBJFI-UHFFFAOYSA-N 0 3 260.381 2.783 20 30 CFEDHN C=CCN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000109328222 526456204 /nfs/dbraw/zinc/45/62/04/526456204.db2.gz MQFTYNVZWYPDOK-ZDUSSCGKSA-N 0 3 291.370 2.845 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1F ZINC000236550227 526548671 /nfs/dbraw/zinc/54/86/71/526548671.db2.gz SWJVZWVZIMKKEY-UAGQMJEPSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]3OCCC[C@H]3C2)ccc1F ZINC000246527687 526550403 /nfs/dbraw/zinc/55/04/03/526550403.db2.gz FYINDCLVKJJNID-XJKSGUPXSA-N 0 3 274.339 2.698 20 30 CFEDHN C=C(C)CN(CC[C@@H]1CCCO1)Cc1ccc(CO)o1 ZINC000352799920 526552524 /nfs/dbraw/zinc/55/25/24/526552524.db2.gz NUKOQPRGXOLSJD-AWEZNQCLSA-N 0 3 279.380 2.719 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(C)o2)CC1 ZINC000106039685 526576288 /nfs/dbraw/zinc/57/62/88/526576288.db2.gz UZMIFUOMMPQFNB-VOTSOKGWSA-N 0 3 288.391 2.758 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)=C[C@@H](C)C2)CC1 ZINC000334710648 526583324 /nfs/dbraw/zinc/58/33/24/526583324.db2.gz XMKWAGMXQUXEAH-CQSZACIVSA-N 0 3 291.439 2.635 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)cc1F ZINC000336085719 526613936 /nfs/dbraw/zinc/61/39/36/526613936.db2.gz MORDWUJQMCUGSA-JKSUJKDBSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](C3CCOCC3)C2)cc1F ZINC000336085985 526614866 /nfs/dbraw/zinc/61/48/66/526614866.db2.gz RBVOKACTGWGRQZ-MRXNPFEDSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246518411 526617185 /nfs/dbraw/zinc/61/71/85/526617185.db2.gz FQNPZJVIAVVDLK-JKSUJKDBSA-N 0 3 256.349 2.559 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1F ZINC000300291645 526702874 /nfs/dbraw/zinc/70/28/74/526702874.db2.gz HYJZQSRVVRZDPZ-ARFHVFGLSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000334794584 526705386 /nfs/dbraw/zinc/70/53/86/526705386.db2.gz AXYQKKAWPYQULG-ZWKOTPCHSA-N 0 3 284.403 2.931 20 30 CFEDHN C=CCOCCCN(C)Cc1cc(OC)cc(OC)c1 ZINC000347972430 526748270 /nfs/dbraw/zinc/74/82/70/526748270.db2.gz QJBMHWHHCGDMMU-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000347971847 526751798 /nfs/dbraw/zinc/75/17/98/526751798.db2.gz ZLBUOKKYNHAKML-CQSZACIVSA-N 0 3 293.411 2.965 20 30 CFEDHN C=CCOCCCN1CCOc2ccc(C)cc2C1 ZINC000352823775 526757798 /nfs/dbraw/zinc/75/77/98/526757798.db2.gz LCISBTTXZCFUBW-UHFFFAOYSA-N 0 3 261.365 2.782 20 30 CFEDHN N#Cc1ccnc(N[C@H]2CCN3CCCC[C@@H]23)c1Cl ZINC000236051778 526762342 /nfs/dbraw/zinc/76/23/42/526762342.db2.gz FGTZCNBJOCJUIV-RYUDHWBXSA-N 0 3 276.771 2.645 20 30 CFEDHN Cc1nnc(C2CCN(Cc3cc(C#N)ccc3F)CC2)[nH]1 ZINC000365108476 526782794 /nfs/dbraw/zinc/78/27/94/526782794.db2.gz CLGPCDUHGYWLFZ-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000353481182 526868789 /nfs/dbraw/zinc/86/87/89/526868789.db2.gz HTCFXFSGKRXOCK-UHFFFAOYSA-N 0 3 286.419 2.922 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000344663688 526951090 /nfs/dbraw/zinc/95/10/90/526951090.db2.gz IEZCMQBAYFJQSP-OAHLLOKOSA-N 0 3 283.375 2.622 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000350684629 526994572 /nfs/dbraw/zinc/99/45/72/526994572.db2.gz YYEQJFSLAPNGHY-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344644423 527029720 /nfs/dbraw/zinc/02/97/20/527029720.db2.gz OFWSYZLSGCDVLZ-HNNXBMFYSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCCC1(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000354602485 527087690 /nfs/dbraw/zinc/08/76/90/527087690.db2.gz OAHOSZNIJCJCIG-UHFFFAOYSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCCCCCN(C)C(=O)CN1CCC(C)CC1 ZINC000354869126 527121989 /nfs/dbraw/zinc/12/19/89/527121989.db2.gz WHCSUDGKZXYUFW-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N(C)Cc1ccco1 ZINC000351923951 527127932 /nfs/dbraw/zinc/12/79/32/527127932.db2.gz BOAMUZQTELABMT-UHFFFAOYSA-N 0 3 278.396 2.916 20 30 CFEDHN C=CCCCCCN(C)Cc1cc(C(=O)OC)n(C)c1 ZINC000347868874 527129256 /nfs/dbraw/zinc/12/92/56/527129256.db2.gz QPJAOWULDRBMCU-UHFFFAOYSA-N 0 3 278.396 2.990 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)N(CC)CC ZINC000351913470 527130583 /nfs/dbraw/zinc/13/05/83/527130583.db2.gz SOHXYUKQJXLJPJ-CQSZACIVSA-N 0 3 254.418 2.922 20 30 CFEDHN C=CC[C@H](CC)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000354782530 527164485 /nfs/dbraw/zinc/16/44/85/527164485.db2.gz ILHZPDYGKGVFBZ-KBPBESRZSA-N 0 3 293.411 2.847 20 30 CFEDHN C=CC[C@H](CC)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000367185885 527164862 /nfs/dbraw/zinc/16/48/62/527164862.db2.gz KNAMHLUPDNDACQ-FZMZJTMJSA-N 0 3 297.395 2.989 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)cc1)OCC1CC1 ZINC000414519254 527171727 /nfs/dbraw/zinc/17/17/27/527171727.db2.gz WXYQHZCWVLJAPQ-UHFFFAOYSA-N 0 3 258.365 2.853 20 30 CFEDHN C=CCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000344583198 527199645 /nfs/dbraw/zinc/19/96/45/527199645.db2.gz NNECFFMHUKLYGT-UHFFFAOYSA-N 0 3 269.392 2.642 20 30 CFEDHN Cn1cc(CN2CC[C@@H]2Cc2ccccc2)cc1C#N ZINC000361571355 527206101 /nfs/dbraw/zinc/20/61/01/527206101.db2.gz KFOJGISJBKNOMI-MRXNPFEDSA-N 0 3 265.360 2.714 20 30 CFEDHN C=CCCCN[C@H](c1nnc2ccccn21)C(C)C ZINC000347666932 527235998 /nfs/dbraw/zinc/23/59/98/527235998.db2.gz GEWRDXBYTSANDB-AWEZNQCLSA-N 0 3 258.369 2.982 20 30 CFEDHN C=CCCC[C@@H](C)NCc1cn(C(C)(C)C)nn1 ZINC000191562033 527271785 /nfs/dbraw/zinc/27/17/85/527271785.db2.gz ISWVFCLSJMRYMU-GFCCVEGCSA-N 0 3 250.390 2.868 20 30 CFEDHN C=C[C@@H](CO)NC1CC(c2ccccc2Cl)C1 ZINC000353571606 527441047 /nfs/dbraw/zinc/44/10/47/527441047.db2.gz IBVZPHBLGKWOEP-CXQJBGSLSA-N 0 3 251.757 2.723 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccccc1SCC ZINC000353565644 527443600 /nfs/dbraw/zinc/44/36/00/527443600.db2.gz BIJWNECDOJLPII-NEPJUHHUSA-N 0 3 251.395 2.996 20 30 CFEDHN C=CCC[C@@H](NCCN1CCOC[C@@H]1C)c1ccco1 ZINC000353497524 527446852 /nfs/dbraw/zinc/44/68/52/527446852.db2.gz OYQZJNPZFMZGKL-LSDHHAIUSA-N 0 3 278.396 2.597 20 30 CFEDHN C=CCC[C@@H](NCCN1CCO[C@H](CC)C1)c1ccco1 ZINC000353586139 527446861 /nfs/dbraw/zinc/44/68/61/527446861.db2.gz CCKKLCRKPAPQCC-HZPDHXFCSA-N 0 3 292.423 2.987 20 30 CFEDHN C=CCC[C@@H](NC[C@]1(OC)CCOC1)c1ccco1 ZINC000353682215 527449216 /nfs/dbraw/zinc/44/92/16/527449216.db2.gz CFYSVLOCAXZVOR-UKRRQHHQSA-N 0 3 265.353 2.682 20 30 CFEDHN C=CCC[C@@H](N[C@@H](C)CCN1CCOCC1)c1ccco1 ZINC000353622346 527451800 /nfs/dbraw/zinc/45/18/00/527451800.db2.gz NYSCEHPOMGZGCG-JKSUJKDBSA-N 0 3 292.423 2.987 20 30 CFEDHN CC(C)(C#N)CN[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000336624684 527487859 /nfs/dbraw/zinc/48/78/59/527487859.db2.gz AEYIFGZKJIMDIE-NSHDSACASA-N 0 3 253.349 2.774 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](COC)c1cccc(Cl)c1 ZINC000344232274 527495168 /nfs/dbraw/zinc/49/51/68/527495168.db2.gz QSXRFGUQOZEUIE-LSDHHAIUSA-N 0 3 283.799 2.944 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000353563562 527593833 /nfs/dbraw/zinc/59/38/33/527593833.db2.gz FOLRBPRIOYMYGX-SUMWQHHRSA-N 0 3 268.360 2.946 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NCc1ccc2c(c1)CNC2 ZINC000334940119 527600120 /nfs/dbraw/zinc/60/01/20/527600120.db2.gz HTTZXQXOEKBMGD-INIZCTEOSA-N 0 3 285.391 2.540 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)NCCc1nc(C)oc1C ZINC000329129064 528219172 /nfs/dbraw/zinc/21/91/72/528219172.db2.gz VTCXASWMJFRPMK-CQSZACIVSA-N 0 3 279.384 2.665 20 30 CFEDHN CCN(CCC1CC1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000355037084 528427924 /nfs/dbraw/zinc/42/79/24/528427924.db2.gz KNPYMFPKCPKNPG-XJKSGUPXSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)C[C@H](C)Oc1cc(CNC(=O)C(C)C#N)ccn1 ZINC000347116083 528486691 /nfs/dbraw/zinc/48/66/91/528486691.db2.gz RGAWQZKHMGRHEJ-OLZOCXBDSA-N 0 3 289.379 2.671 20 30 CFEDHN CCOC(=O)C1(C)CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000354655790 528588455 /nfs/dbraw/zinc/58/84/55/528588455.db2.gz WOVNOUBFIJQMCK-RXFTYZNJSA-N 0 3 278.396 2.780 20 30 CFEDHN CC1(C)CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192569885 528944295 /nfs/dbraw/zinc/94/42/95/528944295.db2.gz DVTYLOJFXSLAIK-INIZCTEOSA-N 0 3 297.402 2.928 20 30 CFEDHN CC(C)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)C1 ZINC000329151094 529009187 /nfs/dbraw/zinc/00/91/87/529009187.db2.gz ZXJXOHFDFUVCGM-XQQFMLRXSA-N 0 3 281.400 2.571 20 30 CFEDHN CCC1(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCC1 ZINC000330188229 529032007 /nfs/dbraw/zinc/03/20/07/529032007.db2.gz LAUUNFFHFIDQNP-CYBMUJFWSA-N 0 3 290.411 2.672 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000451772459 535544248 /nfs/dbraw/zinc/54/42/48/535544248.db2.gz AESMHGGSTQXMCA-HIFRSBDPSA-N 0 3 290.338 2.519 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000449781012 536526927 /nfs/dbraw/zinc/52/69/27/536526927.db2.gz WPOBVPUHSBNFBU-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC000459795431 536796245 /nfs/dbraw/zinc/79/62/45/536796245.db2.gz VGEROJQWDHQLTM-HUUCEWRRSA-N 0 3 256.349 2.605 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CCCCCC ZINC000744030277 574049707 /nfs/dbraw/zinc/04/97/07/574049707.db2.gz CEHKFAPOZGXAMO-CHWSQXEVSA-N 0 3 264.369 2.604 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccco1 ZINC000744029250 574049787 /nfs/dbraw/zinc/04/97/87/574049787.db2.gz QKALYQQZLVQBKG-AAEUAGOBSA-N 0 3 282.299 2.731 20 30 CFEDHN COCC#CCN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000753863338 574052329 /nfs/dbraw/zinc/05/23/29/574052329.db2.gz SETMZGXBPXNUOJ-KRWDZBQOSA-N 0 3 272.392 2.539 20 30 CFEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1C ZINC000753935167 574055986 /nfs/dbraw/zinc/05/59/86/574055986.db2.gz LQKURKUYVQCBDM-GJZGRUSLSA-N 0 3 270.380 2.579 20 30 CFEDHN C[C@@H]1CC(N=Nc2ncnc3sccc32)CN1C1CC1 ZINC000753956868 574058619 /nfs/dbraw/zinc/05/86/19/574058619.db2.gz XQCPKLDRSMLGSJ-SECBINFHSA-N 0 3 287.392 2.716 20 30 CFEDHN COc1cccc(N=NC2C[C@H](C)N(C3CC3)C2)c1 ZINC000753954527 574058638 /nfs/dbraw/zinc/05/86/38/574058638.db2.gz DUJFIRGRSZKOOQ-NSHDSACASA-N 0 3 259.353 2.720 20 30 CFEDHN CC(=NNC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000727651938 574058694 /nfs/dbraw/zinc/05/86/94/574058694.db2.gz DTBUUVYEJOZEAK-UHFFFAOYSA-N 0 3 287.407 2.779 20 30 CFEDHN C[C@H]1CC(N=Nc2ccc(C#N)cc2)CN1C1CC1 ZINC000753954101 574058985 /nfs/dbraw/zinc/05/89/85/574058985.db2.gz BHDJGRPZIFTANA-NSHDSACASA-N 0 3 254.337 2.583 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC(F)(F)C2)c1 ZINC000753802372 574076047 /nfs/dbraw/zinc/07/60/47/574076047.db2.gz OLNIFXPKJJQGNY-LBPRGKRZSA-N 0 3 292.285 2.688 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)CS1 ZINC000754150530 574078079 /nfs/dbraw/zinc/07/80/79/574078079.db2.gz TUYCCGUKIXKOEV-KGLIPLIRSA-N 0 3 275.421 2.963 20 30 CFEDHN CCCCCCN(C)CC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000754174008 574080084 /nfs/dbraw/zinc/08/00/84/574080084.db2.gz CATVQKXCWRNABY-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN CC(C)CC(Cc1cccc(Cl)c1)N=NC(=N)N ZINC000728155416 574081815 /nfs/dbraw/zinc/08/18/15/574081815.db2.gz LFOYDSZORHJEKN-UHFFFAOYSA-N 0 3 266.776 2.768 20 30 CFEDHN CC(C)N1CC(N=Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000754262175 574085229 /nfs/dbraw/zinc/08/52/29/574085229.db2.gz ZFBKIUVERCNVMI-GFCCVEGCSA-N 0 3 256.353 2.686 20 30 CFEDHN N#CC(C(=O)C[C@H]1CCOC1)c1nccc2ccccc21 ZINC000754010650 574085396 /nfs/dbraw/zinc/08/53/96/574085396.db2.gz SDNFWJDRWADDOA-IUODEOHRSA-N 0 3 280.327 2.838 20 30 CFEDHN Cc1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000754673873 574112490 /nfs/dbraw/zinc/11/24/90/574112490.db2.gz KDNLFNBQPVPHBO-NHYWBVRUSA-N 0 3 291.420 2.516 20 30 CFEDHN CC(C)N1CC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000732568332 574161396 /nfs/dbraw/zinc/16/13/96/574161396.db2.gz QDNYCFUGUYKUKF-VIFPVBQESA-N 0 3 284.816 2.810 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000746674683 574162195 /nfs/dbraw/zinc/16/21/95/574162195.db2.gz OYFYYQYLHQOJJJ-LZLYRXPVSA-N 0 3 298.430 2.640 20 30 CFEDHN CCCC(=NNC(=N)N)c1ccc(Cl)c(Cl)c1 ZINC000746677133 574162259 /nfs/dbraw/zinc/16/22/59/574162259.db2.gz RJCAKSPJIVOHLA-UHFFFAOYSA-N 0 3 273.167 2.981 20 30 CFEDHN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000755597714 574170743 /nfs/dbraw/zinc/17/07/43/574170743.db2.gz HGFSCCAFJSTIOT-QWHCGFSZSA-N 0 3 278.396 2.780 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000755890515 574194459 /nfs/dbraw/zinc/19/44/59/574194459.db2.gz VLUPNKGKHKYRJT-NSHDSACASA-N 0 3 288.351 2.785 20 30 CFEDHN C#CCOc1ccc(CNCCOC(C)(C)C)cc1 ZINC000733326323 574221845 /nfs/dbraw/zinc/22/18/45/574221845.db2.gz WSUYTAYXTJYWEI-UHFFFAOYSA-N 0 3 261.365 2.603 20 30 CFEDHN C=CCNC(=S)Nc1ccc(C)cc1CN(C)C ZINC000733751095 574255100 /nfs/dbraw/zinc/25/51/00/574255100.db2.gz FDZBOBAPKSSART-UHFFFAOYSA-N 0 3 263.410 2.529 20 30 CFEDHN Cc1ccccc1NC(=S)NN=C1CCN(C)[C@H](C)C1 ZINC000741457602 574290859 /nfs/dbraw/zinc/29/08/59/574290859.db2.gz NZJOFRROGLLPPM-GFCCVEGCSA-N 0 3 290.436 2.752 20 30 CFEDHN N#CCOc1ccc(Cl)cc1CNC1(CO)CCCC1 ZINC000749447907 574295388 /nfs/dbraw/zinc/29/53/88/574295388.db2.gz HVFYGBTZNQUUMA-UHFFFAOYSA-N 0 3 294.782 2.637 20 30 CFEDHN C=C(Cl)CN(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000749445598 574295534 /nfs/dbraw/zinc/29/55/34/574295534.db2.gz UWSLYHTUDCSHTN-HNNXBMFYSA-N 0 3 264.800 2.945 20 30 CFEDHN C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750039310 574321923 /nfs/dbraw/zinc/32/19/23/574321923.db2.gz IMAWTZZDXLEWII-AWEZNQCLSA-N 0 3 264.325 2.525 20 30 CFEDHN C=CCCC[N@@H+](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735412740 574322958 /nfs/dbraw/zinc/32/29/58/574322958.db2.gz JZBQEVKOWDOZJC-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCCC[N@H+](C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735412740 574322960 /nfs/dbraw/zinc/32/29/60/574322960.db2.gz JZBQEVKOWDOZJC-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCCC[N@@H+](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735412740 574322962 /nfs/dbraw/zinc/32/29/62/574322962.db2.gz JZBQEVKOWDOZJC-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN C=CCCC[N@H+](C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735412740 574322964 /nfs/dbraw/zinc/32/29/64/574322964.db2.gz JZBQEVKOWDOZJC-LBPRGKRZSA-N 0 3 271.368 2.826 20 30 CFEDHN CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2)c([O-])c1 ZINC000725845620 574327507 /nfs/dbraw/zinc/32/75/07/574327507.db2.gz GSWGGONITMDHMU-UHFFFAOYSA-N 0 3 282.343 2.952 20 30 CFEDHN C#CCOc1ccc(F)cc1NC(=O)C(C)C(F)(F)F ZINC000742707709 574340848 /nfs/dbraw/zinc/34/08/48/574340848.db2.gz OSRDFNYAFOONPC-MRVPVSSYSA-N 0 3 289.228 2.975 20 30 CFEDHN CCOCCCN1CCC(=NO[C@H]2CCCCO2)[C@H](C)C1 ZINC000755817337 574346893 /nfs/dbraw/zinc/34/68/93/574346893.db2.gz KFKKRWOFNPKAKB-ZBFHGGJFSA-N 0 3 298.427 2.654 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@H](CC)C(C)C)CC1 ZINC000743493461 574367013 /nfs/dbraw/zinc/36/70/13/574367013.db2.gz UQAUHPTYKKGYBM-HNNXBMFYSA-N 0 3 278.440 2.663 20 30 CFEDHN CC(C)=C(C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000751191704 574371241 /nfs/dbraw/zinc/37/12/41/574371241.db2.gz DWQWTGBKNCOJNR-UHFFFAOYSA-N 0 3 299.418 2.805 20 30 CFEDHN N#Cc1ccc(CNCCNc2ccccc2)cc1 ZINC000751886941 574384360 /nfs/dbraw/zinc/38/43/60/574384360.db2.gz KEAGMLYQEHSKQD-UHFFFAOYSA-N 0 3 251.333 2.760 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccc(Br)cc1 ZINC000752161989 574388699 /nfs/dbraw/zinc/38/86/99/574388699.db2.gz YUUPLXOCHJDXCL-VIFPVBQESA-N 0 3 282.185 2.799 20 30 CFEDHN Cc1c(Cl)cccc1N=NC1CN(C)C[C@@H]1C ZINC000752161504 574388753 /nfs/dbraw/zinc/38/87/53/574388753.db2.gz UAEPTNWIIRNHKI-VIFPVBQESA-N 0 3 251.761 2.998 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ncnc2c3ccccc3oc21 ZINC000752163208 574388777 /nfs/dbraw/zinc/38/87/77/574388777.db2.gz SOLSYRAHCBRWTD-JTQLQIEISA-N 0 3 295.346 2.725 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823888476 608285184 /nfs/dbraw/zinc/28/51/84/608285184.db2.gz NIQCKNXILFGYCM-WDEREUQCSA-N 0 3 289.358 2.696 20 30 CFEDHN C#CCCCCCCn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000900641109 620695299 /nfs/dbraw/zinc/69/52/99/620695299.db2.gz KMEULXSCWKATNA-CQSZACIVSA-N 0 3 262.401 2.908 20 30 CFEDHN CC(C)[C@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900618666 620696243 /nfs/dbraw/zinc/69/62/43/620696243.db2.gz ZYQHZCQINVZKHX-AWEZNQCLSA-N 0 3 275.400 2.798 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823888476 608285183 /nfs/dbraw/zinc/28/51/83/608285183.db2.gz NIQCKNXILFGYCM-WDEREUQCSA-N 0 3 289.358 2.696 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2CC(C)(C)C)C1 ZINC000969032319 612966442 /nfs/dbraw/zinc/96/64/42/612966442.db2.gz OUPTWKAZOXQZFJ-MRXNPFEDSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(CCC)cc2)C1 ZINC000970351723 612995134 /nfs/dbraw/zinc/99/51/34/612995134.db2.gz NNUMGOVDELEGES-OAHLLOKOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC000969954888 612996369 /nfs/dbraw/zinc/99/63/69/612996369.db2.gz VBYIUJKKEZDFJP-JKSUJKDBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000981502965 613004218 /nfs/dbraw/zinc/00/42/18/613004218.db2.gz DORQVQHLLXASOW-IAGOWNOFSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000981157038 613004640 /nfs/dbraw/zinc/00/46/40/613004640.db2.gz QAAQEHUNTJEOLP-INIZCTEOSA-N 0 3 288.435 2.514 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610972 613014127 /nfs/dbraw/zinc/01/41/27/613014127.db2.gz UBSZTFBOOIPIGW-QAPCUYQASA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965760950 613014991 /nfs/dbraw/zinc/01/49/91/613014991.db2.gz IXXOKLODBRIQMT-DOMZBBRYSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC000968606763 613022986 /nfs/dbraw/zinc/02/29/86/613022986.db2.gz JGBKMCBQFJKTCJ-YJBOKZPZSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975024887 613031897 /nfs/dbraw/zinc/03/18/97/613031897.db2.gz HJZKGUDVAZQHOA-LSDHHAIUSA-N 0 3 290.451 2.663 20 30 CFEDHN C/C=C(\C)C(=O)N1CC[C@@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971303486 613151403 /nfs/dbraw/zinc/15/14/03/613151403.db2.gz AGIREPOYHXKRDH-XIYYVKAQSA-N 0 3 297.402 2.557 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000948748740 613162593 /nfs/dbraw/zinc/16/25/93/613162593.db2.gz NAJZYVQBAKZFKS-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2CC3(CCC3)C2)CC1 ZINC000948674930 613177692 /nfs/dbraw/zinc/17/76/92/613177692.db2.gz DKDMDZREVNAOGK-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C(C)=C2CCCC2)CC1 ZINC000948286808 613177725 /nfs/dbraw/zinc/17/77/25/613177725.db2.gz VPLSTKZHVDIDQR-KRWDZBQOSA-N 0 3 288.435 2.823 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000948789871 613178499 /nfs/dbraw/zinc/17/84/99/613178499.db2.gz UPPAYJBFGZQKCG-IXDOHACOSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000948693346 613178926 /nfs/dbraw/zinc/17/89/26/613178926.db2.gz JZKKEAMRJVLIBR-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C[C@H]1C ZINC000948082270 613223985 /nfs/dbraw/zinc/22/39/85/613223985.db2.gz AIPOQMUHRRLIEC-GDBMZVCRSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000944700643 613230525 /nfs/dbraw/zinc/23/05/25/613230525.db2.gz LFNHJQZWBKOLLO-IAGOWNOFSA-N 0 3 298.430 2.685 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000944306233 613234366 /nfs/dbraw/zinc/23/43/66/613234366.db2.gz RKEHLMZJOMTSKC-CRAIPNDOSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000945336151 613257689 /nfs/dbraw/zinc/25/76/89/613257689.db2.gz RULUXDJSIYWARR-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C[C@@H]1C ZINC000948061793 613268414 /nfs/dbraw/zinc/26/84/14/613268414.db2.gz ZIJKHUWEFOSIBG-KSSFIOAISA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H](C)C1 ZINC000943989860 613270254 /nfs/dbraw/zinc/27/02/54/613270254.db2.gz XTTHQXSMKXJNTN-QAPCUYQASA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCN1C[C@]2(C)CN(C(=O)C(C)(CC)CC)C[C@]2(C)C1 ZINC000982816748 613292782 /nfs/dbraw/zinc/29/27/82/613292782.db2.gz KHBPLCOPJCHVNF-HDICACEKSA-N 0 3 290.451 2.616 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000969663028 613299044 /nfs/dbraw/zinc/29/90/44/613299044.db2.gz FZUCHIGIVHFDPZ-HUUCEWRRSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970829423 613300134 /nfs/dbraw/zinc/30/01/34/613300134.db2.gz JOGUSKJXBVJBEG-OAHLLOKOSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970699894 613301935 /nfs/dbraw/zinc/30/19/35/613301935.db2.gz OOOZXISCMWBOBZ-ZFWWWQNUSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC000969954060 613302245 /nfs/dbraw/zinc/30/22/45/613302245.db2.gz QIROQUPJDGMPBI-DZGCQCFKSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)s2)C1 ZINC000969215436 613303242 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/nfs/dbraw/zinc/78/52/16/617785216.db2.gz BHJSMYKHFXWCFO-GASCZTMLSA-N 0 3 292.810 2.527 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001022510831 617887584 /nfs/dbraw/zinc/88/75/84/617887584.db2.gz VZIIBRYBMDYRSO-BETUJISGSA-N 0 3 296.773 2.737 20 30 CFEDHN C=C1CCC(C(=O)N(CCC)CCN(C)C)CC1 ZINC000889118479 617946240 /nfs/dbraw/zinc/94/62/40/617946240.db2.gz ISVGONSAGGOTSX-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C[C@@H](Cc1cccnc1)NCc1ccc(F)cc1C#N ZINC000934234606 617971927 /nfs/dbraw/zinc/97/19/27/617971927.db2.gz NLJSPIUWARULFO-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001022651646 617974010 /nfs/dbraw/zinc/97/40/10/617974010.db2.gz GZHOZDWPTRFDRH-BPNZPQAUSA-N 0 3 288.794 2.504 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001022662949 617976034 /nfs/dbraw/zinc/97/60/34/617976034.db2.gz ZYKVZAJNXUFWIQ-FQUUOJAGSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001022662952 617976282 /nfs/dbraw/zinc/97/62/82/617976282.db2.gz ZYKVZAJNXUFWIQ-YIYPIFLZSA-N 0 3 284.831 2.802 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCSC[C@@H]1C ZINC000934302749 617991719 /nfs/dbraw/zinc/99/17/19/617991719.db2.gz GAPAWDPQDGDIRJ-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CC/C=C\c1ccccc1 ZINC000255163822 618024581 /nfs/dbraw/zinc/02/45/81/618024581.db2.gz VDKFPAIAWAHEJQ-IZIDJEDMSA-N 0 3 284.359 2.713 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1CCOC12CCCC2 ZINC000934386832 618027320 /nfs/dbraw/zinc/02/73/20/618027320.db2.gz SFGFZCXRIXCXIY-MRXNPFEDSA-N 0 3 286.375 2.758 20 30 CFEDHN C=CC[C@@H]1CCN1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000934460849 618039729 /nfs/dbraw/zinc/03/97/29/618039729.db2.gz KFUDWJTTZJSIDF-UKRRQHHQSA-N 0 3 272.348 2.662 20 30 CFEDHN C=CCCCN(CC)Cc1cc(C(=O)OCC)no1 ZINC000934646437 618101911 /nfs/dbraw/zinc/10/19/11/618101911.db2.gz FXVJAEVHWFQTBC-UHFFFAOYSA-N 0 3 266.341 2.639 20 30 CFEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021723272 618129449 /nfs/dbraw/zinc/12/94/49/618129449.db2.gz SYIBLFKZXMNPQB-MSOLQXFVSA-N 0 3 296.414 2.555 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001022958129 618134665 /nfs/dbraw/zinc/13/46/65/618134665.db2.gz BMYXASKFMUSXQW-FPMFFAJLSA-N 0 3 284.831 2.802 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933088294 618153178 /nfs/dbraw/zinc/15/31/78/618153178.db2.gz KEFJWBXECYFROB-KRWDZBQOSA-N 0 3 285.391 2.592 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2sccc2C)C1 ZINC001021779736 618153669 /nfs/dbraw/zinc/15/36/69/618153669.db2.gz NMDLEQHOUZONKB-PHIMTYICSA-N 0 3 284.812 2.659 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001023482186 618193088 /nfs/dbraw/zinc/19/30/88/618193088.db2.gz AXFIRIRPMGMFKM-INIZCTEOSA-N 0 3 290.451 2.808 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)N(CC)c2ccccc2)CCC1 ZINC000933301374 618194305 /nfs/dbraw/zinc/19/43/05/618194305.db2.gz FIHVHTMUBQQIRA-HNNXBMFYSA-N 0 3 284.403 2.964 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)CCC1 ZINC000933300293 618194438 /nfs/dbraw/zinc/19/44/38/618194438.db2.gz XLOKQIMSHNMASP-NSHDSACASA-N 0 3 291.782 2.598 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2c(F)cccc2F)CCC1 ZINC000933300699 618194482 /nfs/dbraw/zinc/19/44/82/618194482.db2.gz CABYYFSCBHQRIS-LLVKDONJSA-N 0 3 292.329 2.827 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001023565064 618199545 /nfs/dbraw/zinc/19/95/45/618199545.db2.gz XPBGBSCESNGIDD-QGZVFWFLSA-N 0 3 298.430 2.714 20 30 CFEDHN CC(=NN[C@@H]1CCCC[C@H]1O)c1c(C)cc(N)cc1C ZINC000901333155 620787580 /nfs/dbraw/zinc/78/75/80/620787580.db2.gz ZUHLPXLZCXEDBQ-HUUCEWRRSA-N 0 3 275.396 2.503 20 30 CFEDHN C#Cc1ccc(NC(=O)NC[C@@H]2CCCN2C)c(Cl)c1 ZINC000933352343 618205781 /nfs/dbraw/zinc/20/57/81/618205781.db2.gz PAZUINPMHWPPSM-LBPRGKRZSA-N 0 3 291.782 2.537 20 30 CFEDHN CCC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)cc1 ZINC000901298866 620785819 /nfs/dbraw/zinc/78/58/19/620785819.db2.gz JGEVDSUZSPVWRY-JJLQDPRZSA-N 0 3 275.396 2.929 20 30 CFEDHN C[C@@]1(NCC2(CC#N)CC2)CCOc2ccccc21 ZINC000933369141 618211773 /nfs/dbraw/zinc/21/17/73/618211773.db2.gz GZEYTDSGCYNCMB-OAHLLOKOSA-N 0 3 256.349 2.968 20 30 CFEDHN CC(C)(C#N)CCCN1CCOc2ccccc2[C@@H]1CO ZINC000933384704 618217001 /nfs/dbraw/zinc/21/70/01/618217001.db2.gz UTAPAHRBPSSFOA-HNNXBMFYSA-N 0 3 288.391 2.744 20 30 CFEDHN CC(C)(C#N)CCCN1CCOc2ccccc2[C@H]1CO ZINC000933384709 618217033 /nfs/dbraw/zinc/21/70/33/618217033.db2.gz UTAPAHRBPSSFOA-OAHLLOKOSA-N 0 3 288.391 2.744 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001023734377 618219136 /nfs/dbraw/zinc/21/91/36/618219136.db2.gz AZXROZZGGRNOMX-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CCC[C@@H]2C)C1 ZINC001022122189 618221381 /nfs/dbraw/zinc/22/13/81/618221381.db2.gz QVPLUBIVMGZOAZ-AHLTXXRQSA-N 0 3 284.831 2.802 20 30 CFEDHN C#CCON=C1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000841638550 618225277 /nfs/dbraw/zinc/22/52/77/618225277.db2.gz DITYCVOHCZPQFX-KRWDZBQOSA-N 0 3 268.360 2.992 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000972778203 618234926 /nfs/dbraw/zinc/23/49/26/618234926.db2.gz QVJATBWBMVJTSB-MRXNPFEDSA-N 0 3 299.418 2.637 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H](n2ccnn2)C1 ZINC000930761118 618272367 /nfs/dbraw/zinc/27/23/67/618272367.db2.gz ZJJPIPLGITWVHB-INIZCTEOSA-N 0 3 295.390 2.604 20 30 CFEDHN COc1ccc(COCCNCC#Cc2ccccc2)cc1 ZINC000893298401 618275876 /nfs/dbraw/zinc/27/58/76/618275876.db2.gz UPHIKJZOXLDXMI-UHFFFAOYSA-N 0 3 295.382 2.853 20 30 CFEDHN Cc1cc(F)ncc1CNCc1ccc(CC#N)cc1 ZINC000895089552 618280808 /nfs/dbraw/zinc/28/08/08/618280808.db2.gz BMGVPVLQAKYNLU-UHFFFAOYSA-N 0 3 269.323 2.885 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccnn2C2CCC2)C1 ZINC000895102218 618294573 /nfs/dbraw/zinc/29/45/73/618294573.db2.gz VDRIRYDPRJUZRG-AWEZNQCLSA-N 0 3 257.381 2.843 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001024359286 618301491 /nfs/dbraw/zinc/30/14/91/618301491.db2.gz UPJRRMCBEFVGPG-KRWDZBQOSA-N 0 3 290.451 2.951 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024382025 618303713 /nfs/dbraw/zinc/30/37/13/618303713.db2.gz HUPMYGXXXMXLDH-CAOSSQGBSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001024415060 618309530 /nfs/dbraw/zinc/30/95/30/618309530.db2.gz OEJMPFVMAIPFEY-LBPRGKRZSA-N 0 3 294.782 2.541 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccncc1C ZINC001024427782 618314176 /nfs/dbraw/zinc/31/41/76/618314176.db2.gz OMCVEAPAPMXZQZ-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C#CC1CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000895117000 618318626 /nfs/dbraw/zinc/31/86/26/618318626.db2.gz YYOAAIVTGQVFHM-UHFFFAOYSA-N 0 3 259.397 2.926 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001024503272 618335870 /nfs/dbraw/zinc/33/58/70/618335870.db2.gz YRXCFLGBWVBXFK-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(N(C)C)n1 ZINC000925626607 618349255 /nfs/dbraw/zinc/34/92/55/618349255.db2.gz PDNOLAKYUFJIEZ-GFCCVEGCSA-N 0 3 260.385 2.566 20 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CFEDHN C[C@H](CNCC#Cc1ccccc1)C(=O)OC(C)(C)C ZINC000895210744 618476803 /nfs/dbraw/zinc/47/68/03/618476803.db2.gz SIAWNRRTQAXQCX-CQSZACIVSA-N 0 3 273.376 2.606 20 30 CFEDHN C#C[C@@H](CC)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000229885548 618647773 /nfs/dbraw/zinc/64/77/73/618647773.db2.gz OHSPMTKTFRDMOQ-NSHDSACASA-N 0 3 265.740 2.613 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C[C@@H]1C ZINC001017892579 618680616 /nfs/dbraw/zinc/68/06/16/618680616.db2.gz JTZLMBGVUYFPLG-XUWVNRHRSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@@H]1C ZINC001017892582 618681517 /nfs/dbraw/zinc/68/15/17/618681517.db2.gz JTZLMBGVUYFPLG-YHUYYLMFSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]1C(C)C ZINC001018123380 618685715 /nfs/dbraw/zinc/68/57/15/618685715.db2.gz MHRCTNFURZPVJD-FZKCQIBNSA-N 0 3 276.424 2.530 20 30 CFEDHN CC[C@H](C[C@@](C)(O)CC)NCC1(C#N)CCCC1 ZINC000926874045 618778176 /nfs/dbraw/zinc/77/81/76/618778176.db2.gz MLPSDEOGXLHJDW-KGLIPLIRSA-N 0 3 252.402 2.990 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)C(CC)(CC)c2ccccc2)C1 ZINC001019802861 618789573 /nfs/dbraw/zinc/78/95/73/618789573.db2.gz UGRXPOSNHIKKFB-KRWDZBQOSA-N 0 3 298.430 2.568 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001020193118 618804865 /nfs/dbraw/zinc/80/48/65/618804865.db2.gz IWKWZKKCTMPYSD-UMVBOHGHSA-N 0 3 282.815 2.722 20 30 CFEDHN C#CC[C@@H](N[C@@H]1C[C@@H](OCC)[C@@H]1OC)c1ccccc1 ZINC000893239179 618899534 /nfs/dbraw/zinc/89/95/34/618899534.db2.gz QEKHUQPOEHYFMB-QBPKDAKJSA-N 0 3 273.376 2.533 20 30 CFEDHN COC1CCC(CN2CCC[C@@](C)(C#N)C2)CC1 ZINC000893525747 619036223 /nfs/dbraw/zinc/03/62/23/619036223.db2.gz UBNSXTDBHUIOBI-NRXISQOPSA-N 0 3 250.386 2.817 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccoc2)cc1 ZINC000105262720 619084262 /nfs/dbraw/zinc/08/42/62/619084262.db2.gz CETYRXZHQXGRPT-CQSZACIVSA-N 0 3 282.299 2.803 20 30 CFEDHN C=CCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000726498813 619249838 /nfs/dbraw/zinc/24/98/38/619249838.db2.gz VVULXWFIXDJQSW-UHFFFAOYSA-N 0 3 287.407 2.733 20 30 CFEDHN CC1(C(=O)C(C#N)c2nc3ccccc3o2)CCOCC1 ZINC000726859348 619266230 /nfs/dbraw/zinc/26/62/30/619266230.db2.gz CDFYXYJQSWFCBA-NSHDSACASA-N 0 3 284.315 2.821 20 30 CFEDHN C=C[C@@H](C)NCc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894331133 619336490 /nfs/dbraw/zinc/33/64/90/619336490.db2.gz BXMCAWLDPONVGE-SNVBAGLBSA-N 0 3 250.342 2.589 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894583523 619424091 /nfs/dbraw/zinc/42/40/91/619424091.db2.gz CLUXANAJPNMAAL-GFCCVEGCSA-N 0 3 257.337 2.809 20 30 CFEDHN C=C(CC)CN1CCN(CCCOC(C)(C)C)CC1 ZINC000880413270 619483688 /nfs/dbraw/zinc/48/36/88/619483688.db2.gz IRYOBHQLKBNUKM-UHFFFAOYSA-N 0 3 268.445 2.775 20 30 CFEDHN C#Cc1ccc(CNCc2cc(C(=O)OCC)c(C)[nH]2)cc1 ZINC000894873479 619493160 /nfs/dbraw/zinc/49/31/60/619493160.db2.gz MBXHNPGPVMAZHT-UHFFFAOYSA-N 0 3 296.370 2.771 20 30 CFEDHN Cc1nn(C(C)C)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000895009935 619524980 /nfs/dbraw/zinc/52/49/80/619524980.db2.gz IAJFOIMAGIGBRT-UONOGXRCSA-N 0 3 260.385 2.863 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000895605520 619569132 /nfs/dbraw/zinc/56/91/32/619569132.db2.gz OIMJUEDNODCGOG-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C#CCC1(O)CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000895669576 619582393 /nfs/dbraw/zinc/58/23/93/619582393.db2.gz FVTQZUVKBSGRIW-AATRIKPKSA-N 0 3 298.430 2.616 20 30 CFEDHN C#CCC1(O)CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000895669957 619582548 /nfs/dbraw/zinc/58/25/48/619582548.db2.gz MQQFZZBZGVWYNQ-ONEGZZNKSA-N 0 3 273.351 2.689 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1cnn(C)c1C1CC1 ZINC000895786439 619606716 /nfs/dbraw/zinc/60/67/16/619606716.db2.gz SWMKTJFIIIUUEA-UHFFFAOYSA-N 0 3 294.402 2.844 20 30 CFEDHN C=CCC1(O)CCN(Cc2scnc2C2CC2)CC1 ZINC000895834207 619619825 /nfs/dbraw/zinc/61/98/25/619619825.db2.gz HJVUKMGOTUEMCO-UHFFFAOYSA-N 0 3 278.421 2.924 20 30 CFEDHN O[C@@H](CCNCC#Cc1ccccc1)C1CCCC1 ZINC000895879611 619625608 /nfs/dbraw/zinc/62/56/08/619625608.db2.gz UXDSCIQUCVWRPF-KRWDZBQOSA-N 0 3 257.377 2.569 20 30 CFEDHN COCC1CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000895974598 619647366 /nfs/dbraw/zinc/64/73/66/619647366.db2.gz ILOHMJHFUQXCIE-UHFFFAOYSA-N 0 3 258.365 2.566 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]([C@@H]3CCCO3)C2)cs1 ZINC000896060685 619663909 /nfs/dbraw/zinc/66/39/09/619663909.db2.gz NYEUDYDJYQOSFH-OCCSQVGLSA-N 0 3 262.378 2.621 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000896096250 619673109 /nfs/dbraw/zinc/67/31/09/619673109.db2.gz ZGCKXKRHWKSTNC-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](c3noc(C)n3)C2)cc1 ZINC000896237882 619702118 /nfs/dbraw/zinc/70/21/18/619702118.db2.gz VNSGYIUYSGEKRP-HNNXBMFYSA-N 0 3 299.374 2.932 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000896286879 619710430 /nfs/dbraw/zinc/71/04/30/619710430.db2.gz ASZNHGFERBZBPS-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C(#Cc1ccccc1)CNCCc1nc2c(s1)CCC2 ZINC000896842126 619838602 /nfs/dbraw/zinc/83/86/02/619838602.db2.gz QKXVOFAETIHBOI-UHFFFAOYSA-N 0 3 282.412 2.816 20 30 CFEDHN N#Cc1ccc(C2CCN(c3ccncc3CO)CC2)cc1 ZINC000896864645 619850298 /nfs/dbraw/zinc/85/02/98/619850298.db2.gz LIJJNNUUGAWOMH-UHFFFAOYSA-N 0 3 293.370 2.830 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](C(=O)OCC)C1 ZINC000896962958 619905846 /nfs/dbraw/zinc/90/58/46/619905846.db2.gz KSDACGBXCUGLPF-HNNXBMFYSA-N 0 3 289.375 2.636 20 30 CFEDHN C#CCN(Cc1ccc(O[C@H]2CCOC2)cc1)C(C)C ZINC000897171234 619944000 /nfs/dbraw/zinc/94/40/00/619944000.db2.gz SZHKHVJBGAYEPL-KRWDZBQOSA-N 0 3 273.376 2.698 20 30 CFEDHN C#CCCCCCCNCc1nc2c(s1)COCC2 ZINC000897238318 619957062 /nfs/dbraw/zinc/95/70/62/619957062.db2.gz OOLKRVQNKFEFRY-UHFFFAOYSA-N 0 3 278.421 2.889 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnc([C@@H](C)O)s2)C1 ZINC000862440657 620114027 /nfs/dbraw/zinc/11/40/27/620114027.db2.gz JRFZMHNVHQMMAG-GHMZBOCLSA-N 0 3 252.383 2.594 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2c(C)oc3ccccc32)C1 ZINC000988880268 620226267 /nfs/dbraw/zinc/22/62/67/620226267.db2.gz RCUPXVGFQKAYQC-JSGCOSHPSA-N 0 3 296.370 2.567 20 30 CFEDHN CC#CCCN1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000832539919 625407146 /nfs/dbraw/zinc/40/71/46/625407146.db2.gz ZKTPUGQEKOBTID-LSDHHAIUSA-N 0 3 292.423 2.731 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCOC23CCCCC3)n1 ZINC000897727049 620274688 /nfs/dbraw/zinc/27/46/88/620274688.db2.gz GMKWQLNTOYVCFP-HNNXBMFYSA-N 0 3 271.364 2.535 20 30 CFEDHN CC1(C)C[C@H](NCc2nc(C#N)cs2)CCS1 ZINC000897794740 620286417 /nfs/dbraw/zinc/28/64/17/620286417.db2.gz XYEVXVAMQBOJNT-SECBINFHSA-N 0 3 267.423 2.779 20 30 CFEDHN C=C1CCC(C(=O)N(CCC)[C@H]2CCN(C)C2)CC1 ZINC000898083204 620334503 /nfs/dbraw/zinc/33/45/03/620334503.db2.gz MLQHWHFNQGTXFL-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1Br)C(C)(C)O ZINC000898118974 620336677 /nfs/dbraw/zinc/33/66/77/620336677.db2.gz BXYDJKOGXVTRLJ-VIFPVBQESA-N 0 3 297.196 2.570 20 30 CFEDHN C#CCCN1CCCN(C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000989772302 620391576 /nfs/dbraw/zinc/39/15/76/620391576.db2.gz BTKFTIBNANCXFF-UHFFFAOYSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC)c(CC)c2)C1 ZINC000989866900 620395514 /nfs/dbraw/zinc/39/55/14/620395514.db2.gz LDPIZQMPUMMNOI-KBXCAEBGSA-N 0 3 298.430 2.637 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000989869782 620396597 /nfs/dbraw/zinc/39/65/97/620396597.db2.gz DLWXSPNRIYZLMV-HOCLYGCPSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989919261 620402886 /nfs/dbraw/zinc/40/28/86/620402886.db2.gz NFDZZNBIXRDTPG-NVXWUHKLSA-N 0 3 270.376 2.599 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989931911 620403087 /nfs/dbraw/zinc/40/30/87/620403087.db2.gz HPLRAXBPNRAZFJ-HOCLYGCPSA-N 0 3 274.364 2.501 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989933359 620403836 /nfs/dbraw/zinc/40/38/36/620403836.db2.gz YLNAIPOLTQUXLT-RDJZCZTQSA-N 0 3 288.391 2.891 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989951406 620405252 /nfs/dbraw/zinc/40/52/52/620405252.db2.gz NDABKIDBUIPPHF-CZUORRHYSA-N 0 3 274.364 2.501 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3occc3C)CCC[C@H]12 ZINC000989953692 620405392 /nfs/dbraw/zinc/40/53/92/620405392.db2.gz GSXFNAQBYPEXDN-WMLDXEAASA-N 0 3 288.391 2.891 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C(C)=C3CCCC3)CCC[C@H]12 ZINC000990190395 620412160 /nfs/dbraw/zinc/41/21/60/620412160.db2.gz DDCBFJHSAQVVSU-WMZOPIPTSA-N 0 3 286.419 2.623 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C3=CCCCCC3)CCC[C@H]12 ZINC000990414153 620418892 /nfs/dbraw/zinc/41/88/92/620418892.db2.gz DSDVKBBOZGSEFJ-FUHWJXTLSA-N 0 3 286.419 2.623 20 30 CFEDHN CN(CCC#N)c1ccc(CNC/C=C\Cl)cc1 ZINC000898434883 620463969 /nfs/dbraw/zinc/46/39/69/620463969.db2.gz CKRDDPVMQMVRJZ-WAPJZHGLSA-N 0 3 263.772 2.879 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)N(C)CCN1CCCCC1 ZINC000899207276 620531615 /nfs/dbraw/zinc/53/16/15/620531615.db2.gz PINCHEKVHKXPBU-UHFFFAOYSA-N 0 3 299.418 2.733 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@H]12 ZINC000990891427 620868901 /nfs/dbraw/zinc/86/89/01/620868901.db2.gz NREHKXJFPDXVHH-RDJZCZTQSA-N 0 3 299.374 2.674 20 30 CFEDHN C=CCN(Cc1ccccc1)Cn1cc(OC)c(=O)cc1C ZINC000902048825 620964371 /nfs/dbraw/zinc/96/43/71/620964371.db2.gz JKDXMFBSCKOCHW-UHFFFAOYSA-N 0 3 298.386 2.811 20 30 CFEDHN CCC[N@H+](CCO[C@@H](C)C#N)Cc1ccccc1[O-] ZINC000801925282 621143537 /nfs/dbraw/zinc/14/35/37/621143537.db2.gz KTZADTZQMQIEJW-ZDUSSCGKSA-N 0 3 262.353 2.533 20 30 CFEDHN CCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1[O-] ZINC000801925282 621143539 /nfs/dbraw/zinc/14/35/39/621143539.db2.gz KTZADTZQMQIEJW-ZDUSSCGKSA-N 0 3 262.353 2.533 20 30 CFEDHN C[C@H](NCCSC(F)(F)F)c1cc(C#N)ccn1 ZINC000902756246 621165835 /nfs/dbraw/zinc/16/58/35/621165835.db2.gz DGYBSVJXKNPENE-QMMMGPOBSA-N 0 3 275.299 2.857 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000902776999 621171189 /nfs/dbraw/zinc/17/11/89/621171189.db2.gz QLGGYSUOUMXWCW-DOMZBBRYSA-N 0 3 287.407 2.902 20 30 CFEDHN C[C@H](N[C@H]1COc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902779183 621171730 /nfs/dbraw/zinc/17/17/30/621171730.db2.gz QPSUQMFYCIKYFK-SWLSCSKDSA-N 0 3 279.343 2.608 20 30 CFEDHN CCc1cnc(CCN[C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902826307 621182977 /nfs/dbraw/zinc/18/29/77/621182977.db2.gz QRWDNLVKEPLCEL-NSHDSACASA-N 0 3 286.404 2.865 20 30 CFEDHN COCC[C@H](Cc1ccco1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902950051 621212499 /nfs/dbraw/zinc/21/24/99/621212499.db2.gz DWCYXJGTZTUZPG-UKRRQHHQSA-N 0 3 299.374 2.845 20 30 CFEDHN C#C[C@H](N[C@H](C)c1cccc(-n2ccnc2)c1)[C@H]1CCCO1 ZINC000902958769 621214428 /nfs/dbraw/zinc/21/44/28/621214428.db2.gz SRFMRCRJYHGNOA-FHLIZLRMSA-N 0 3 295.386 2.704 20 30 CFEDHN COC1(CN[C@H](C)c2cc(C#N)ccn2)CCCCC1 ZINC000902959099 621214928 /nfs/dbraw/zinc/21/49/28/621214928.db2.gz YTLTVIBCECBLDC-CYBMUJFWSA-N 0 3 273.380 2.953 20 30 CFEDHN C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902964298 621215848 /nfs/dbraw/zinc/21/58/48/621215848.db2.gz LDKOOSBRUAMWLS-RDTXWAMCSA-N 0 3 295.386 2.902 20 30 CFEDHN CC[C@@H](NCc1cccn(CC)c1=O)c1cccc(C#N)c1 ZINC000902975525 621215921 /nfs/dbraw/zinc/21/59/21/621215921.db2.gz GUWPLFSBXSSUEA-QGZVFWFLSA-N 0 3 295.386 2.981 20 30 CFEDHN C[C@@H](N[C@@H](CCO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902982273 621217174 /nfs/dbraw/zinc/21/71/74/621217174.db2.gz YZJLGOYRQJHLHH-PBHICJAKSA-N 0 3 295.386 2.598 20 30 CFEDHN C#CCN(C(=O)Nc1cccc(C)c1C)C1CCN(C)CC1 ZINC000902985735 621217557 /nfs/dbraw/zinc/21/75/57/621217557.db2.gz MHYREWNELGEJMG-UHFFFAOYSA-N 0 3 299.418 2.865 20 30 CFEDHN C[C@H](NC[C@](C)(O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902970799 621220431 /nfs/dbraw/zinc/22/04/31/621220431.db2.gz OQMISSHYHLXTIA-GUYCJALGSA-N 0 3 287.407 2.935 20 30 CFEDHN C[C@H](NC[C@@H](CO)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000903019101 621222920 /nfs/dbraw/zinc/22/29/20/621222920.db2.gz KEPSUZNXFMJTFF-WFASDCNBSA-N 0 3 299.349 2.519 20 30 CFEDHN C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)C(=O)OC(C)(C)C ZINC000903043050 621232831 /nfs/dbraw/zinc/23/28/31/621232831.db2.gz OGBPONPKXOACIO-NEPJUHHUSA-N 0 3 289.379 2.582 20 30 CFEDHN COC1([C@H](C)N[C@@H](C)c2cc(C#N)ccn2)CCC1 ZINC000903024100 621233907 /nfs/dbraw/zinc/23/39/07/621233907.db2.gz KUYKULCDTNOQLH-RYUDHWBXSA-N 0 3 259.353 2.561 20 30 CFEDHN CO[C@@H](CN[C@H](C)c1cc(C#N)ccn1)CC(C)C ZINC000903024730 621234103 /nfs/dbraw/zinc/23/41/03/621234103.db2.gz NLQHZPOCKVVKLN-TZMCWYRMSA-N 0 3 261.369 2.665 20 30 CFEDHN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1cc(C#N)ccn1 ZINC000903054574 621234811 /nfs/dbraw/zinc/23/48/11/621234811.db2.gz MTWBBIKJDIMRNB-JOYOIKCWSA-N 0 3 265.307 2.895 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](Nc2ncccn2)C1 ZINC000903027712 621235086 /nfs/dbraw/zinc/23/50/86/621235086.db2.gz VZXVCGXILPXTRA-CJNGLKHVSA-N 0 3 293.374 2.596 20 30 CFEDHN CCC[C@H](CN[C@@H](C)c1cc(C#N)ccn1)OCC ZINC000903064734 621238850 /nfs/dbraw/zinc/23/88/50/621238850.db2.gz RLRDBEBJRGNGNN-GXTWGEPZSA-N 0 3 261.369 2.809 20 30 CFEDHN CC[C@H](COCC1CC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903047011 621240595 /nfs/dbraw/zinc/24/05/95/621240595.db2.gz FFWWTGOTVWDMPQ-SWLSCSKDSA-N 0 3 273.380 2.809 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2nccc3c2CCCC3)C1 ZINC000903180903 621276924 /nfs/dbraw/zinc/27/69/24/621276924.db2.gz AQPAOWHUAYBGBK-JSGCOSHPSA-N 0 3 255.365 2.742 20 30 CFEDHN C[C@@H](NC[C@@H]1CCCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000903356712 621347055 /nfs/dbraw/zinc/34/70/55/621347055.db2.gz UCZDKNAOBXIQNM-OCCSQVGLSA-N 0 3 273.380 2.952 20 30 CFEDHN C[C@H](NCC[C@H](O)C1CC1)c1ccc(C#N)cc1F ZINC000903407286 621362716 /nfs/dbraw/zinc/36/27/16/621362716.db2.gz NLVUBRNCULFCFZ-BONVTDFDSA-N 0 3 262.328 2.509 20 30 CFEDHN CN1CC[C@@H]1C/N=C\c1c(O)ccc2ccccc21 ZINC000905001900 621680171 /nfs/dbraw/zinc/68/01/71/621680171.db2.gz CWKBKOLQVRLHDK-GPLLRDDGSA-N 0 3 254.333 2.668 20 30 CFEDHN CC(C)Oc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905081193 621690812 /nfs/dbraw/zinc/69/08/12/621690812.db2.gz PSJLIRRXOUKVPN-GYBQTFJISA-N 0 3 283.331 2.906 20 30 CFEDHN CCOc1ccccc1/C=C1/C(=O)c2ncnn2C1C ZINC000905079695 621691028 /nfs/dbraw/zinc/69/10/28/621691028.db2.gz FEVHUXGAODHYEL-MJWAUXSNSA-N 0 3 269.304 2.518 20 30 CFEDHN CCCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905082452 621691494 /nfs/dbraw/zinc/69/14/94/621691494.db2.gz WLVCAUDBHYXHAK-HOXUKUGESA-N 0 3 283.331 2.908 20 30 CFEDHN Cc1cccc(C)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905087354 621692765 /nfs/dbraw/zinc/69/27/65/621692765.db2.gz XORWEIBRRNZPPO-NUBYWOLOSA-N 0 3 253.305 2.736 20 30 CFEDHN CCOc1cccc(F)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905087380 621693587 /nfs/dbraw/zinc/69/35/87/621693587.db2.gz XSASDLCHGGDHDP-YIXGCBLDSA-N 0 3 287.294 2.657 20 30 CFEDHN CN(C)[C@@H](CNC(=O)c1ccsc1C#N)c1ccccc1 ZINC000905111813 621702223 /nfs/dbraw/zinc/70/22/23/621702223.db2.gz SPIJJISLMMEQAW-AWEZNQCLSA-N 0 3 299.399 2.652 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@@]12CCC[C@H]1N(CC=C)CC2 ZINC000991065483 621803961 /nfs/dbraw/zinc/80/39/61/621803961.db2.gz FNRXDMGGUHVOBV-SJLPKXTDSA-N 0 3 299.418 2.587 20 30 CFEDHN C[C@@H](NC(=O)C(C)(C)N1CCCCC1)c1cccc(C#N)c1 ZINC000906862547 622058693 /nfs/dbraw/zinc/05/86/93/622058693.db2.gz UOEBKLKSXGWOBW-CQSZACIVSA-N 0 3 299.418 3.000 20 30 CFEDHN C#Cc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC000908532171 622241819 /nfs/dbraw/zinc/24/18/19/622241819.db2.gz ZTVJBBVQRWBULL-UHFFFAOYSA-N 0 3 284.403 2.549 20 30 CFEDHN C=CC(C)(C)CNC(=O)C(C)(C)N1CCCCC1 ZINC000908940720 622287745 /nfs/dbraw/zinc/28/77/45/622287745.db2.gz WPGNDLCXQJOSDI-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(C)(C)c1ccc(N=NC2CCN(CCO)CC2)cc1 ZINC000819811852 622561623 /nfs/dbraw/zinc/56/16/23/622561623.db2.gz FCPBTIXZVFYIJK-UHFFFAOYSA-N 0 3 289.423 2.840 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(Cl)cc1 ZINC000911900830 622566433 /nfs/dbraw/zinc/56/64/33/622566433.db2.gz ZMACOFSUDWVYBI-CYBMUJFWSA-N 0 3 266.772 2.640 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000911957404 622597049 /nfs/dbraw/zinc/59/70/49/622597049.db2.gz MKRYUJGHSULKMY-RFQIPJPRSA-N 0 3 252.402 2.611 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)C1CCC(C)CC1 ZINC000912077711 622625992 /nfs/dbraw/zinc/62/59/92/622625992.db2.gz HSWRKCOSYXJREK-JXQTWKCFSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCCOc1cccc(C)c1 ZINC000912151103 622651296 /nfs/dbraw/zinc/65/12/96/622651296.db2.gz SPUOBASKKOUMBN-MRXNPFEDSA-N 0 3 290.407 2.564 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)cc(F)c1 ZINC000912153858 622653070 /nfs/dbraw/zinc/65/30/70/622653070.db2.gz XXJFNFMEQQQBPV-GFCCVEGCSA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000912197068 622659907 /nfs/dbraw/zinc/65/99/07/622659907.db2.gz GEMOIBUEWDVBEP-UTUOFQBUSA-N 0 3 292.345 2.907 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1COCC ZINC000912350039 622691563 /nfs/dbraw/zinc/69/15/63/622691563.db2.gz BTLOQOKJBNOOFT-MRXNPFEDSA-N 0 3 290.407 2.523 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000912466063 622715615 /nfs/dbraw/zinc/71/56/15/622715615.db2.gz OBUYAAKQXDWTDU-WBVHZDCISA-N 0 3 286.419 2.906 20 30 CFEDHN CS[C@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156329265 622933946 /nfs/dbraw/zinc/93/39/46/622933946.db2.gz PLQFPXCCVIKJST-YPMHNXCESA-N 0 3 290.388 2.784 20 30 CFEDHN CC[C@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156489974 622945129 /nfs/dbraw/zinc/94/51/29/622945129.db2.gz MCZADWATWDGASR-STQMWFEESA-N 0 3 290.388 2.784 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12 ZINC000991503858 622950053 /nfs/dbraw/zinc/95/00/53/622950053.db2.gz OBKAWXACSMAIHX-AEFFLSMTSA-N 0 3 299.418 2.611 20 30 CFEDHN C#CC[C@@H](OC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC000821626568 622956354 /nfs/dbraw/zinc/95/63/54/622956354.db2.gz RVXRBTXEHOCJSJ-MRXNPFEDSA-N 0 3 271.360 2.707 20 30 CFEDHN CCCCCCC[C@@H](C)CNCc1ncnn1C ZINC000876957568 622999588 /nfs/dbraw/zinc/99/95/88/622999588.db2.gz CLKMKJSHMZXFDD-CYBMUJFWSA-N 0 3 252.406 2.901 20 30 CFEDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(C#N)cs1 ZINC000227684240 623116122 /nfs/dbraw/zinc/11/61/22/623116122.db2.gz VVFGFNMFPKGMNC-JTQLQIEISA-N 0 3 295.408 2.623 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@@](C)(O)c1ccccc1 ZINC000822516053 623119147 /nfs/dbraw/zinc/11/91/47/623119147.db2.gz ICDWWRJQCJYRSF-MRXNPFEDSA-N 0 3 286.400 2.959 20 30 CFEDHN C=CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172173281 623265902 /nfs/dbraw/zinc/26/59/02/623265902.db2.gz PYCVJYWWKRWUHV-UHFFFAOYSA-N 0 3 275.352 2.683 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000823268794 623280296 /nfs/dbraw/zinc/28/02/96/623280296.db2.gz QJQFNSAIACSASW-DOTOQJQBSA-N 0 3 284.403 2.598 20 30 CFEDHN C#CCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000174123010 623390626 /nfs/dbraw/zinc/39/06/26/623390626.db2.gz OFFQWTMLIPKJIZ-QGZVFWFLSA-N 0 3 299.418 2.536 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@H]12 ZINC000991977904 623435212 /nfs/dbraw/zinc/43/52/12/623435212.db2.gz VTBABBUFSULYSG-FUHWJXTLSA-N 0 3 299.418 2.611 20 30 CFEDHN C=C[C@H](CC)CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000929526936 623456913 /nfs/dbraw/zinc/45/69/13/623456913.db2.gz XULFXDUEBGRVKR-WBVHZDCISA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992130870 623463956 /nfs/dbraw/zinc/46/39/56/623463956.db2.gz LYFXZVQIUNUINJ-GOEBONIOSA-N 0 3 274.364 2.501 20 30 CFEDHN C=C(C)CN1CC[C@@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992133912 623464489 /nfs/dbraw/zinc/46/44/89/623464489.db2.gz VTDFMVTUIWVVMW-RDJZCZTQSA-N 0 3 288.391 2.891 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992133780 623464627 /nfs/dbraw/zinc/46/46/27/623464627.db2.gz RJTQGGSANMPSTG-HOCLYGCPSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992157388 623472924 /nfs/dbraw/zinc/47/29/24/623472924.db2.gz AIKRPDZBILVJDY-ANQUJSFKSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@@H]12 ZINC000992184018 623479345 /nfs/dbraw/zinc/47/93/45/623479345.db2.gz CAVXGUSKVXMHAK-DOMZBBRYSA-N 0 3 293.798 2.581 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc2c(c1)OCCCCO2 ZINC000824364163 623495615 /nfs/dbraw/zinc/49/56/15/623495615.db2.gz UZBIPAOOYNFXPK-AWEZNQCLSA-N 0 3 259.349 2.739 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929698464 623514952 /nfs/dbraw/zinc/51/49/52/623514952.db2.gz MMKOKOATFVGMOJ-LSDHHAIUSA-N 0 3 273.380 2.589 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@H]12 ZINC000992426728 623549453 /nfs/dbraw/zinc/54/94/53/623549453.db2.gz UHCWBBGTVOJTMO-OVWQWFNUSA-N 0 3 288.435 2.559 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)o2)CC1(Cl)Cl ZINC000824765327 623561091 /nfs/dbraw/zinc/56/10/91/623561091.db2.gz KHEKXIMIOYYWPM-SNVBAGLBSA-N 0 3 259.136 2.825 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992441784 623561155 /nfs/dbraw/zinc/56/11/55/623561155.db2.gz RJKZNWPZKYGGBW-SZVBFZGTSA-N 0 3 296.414 2.537 20 30 CFEDHN C=CCC1(CNCc2nn(CC)nc2C)CCCC1 ZINC000825079192 623624680 /nfs/dbraw/zinc/62/46/80/623624680.db2.gz NKVXTRCWLSHHOR-UHFFFAOYSA-N 0 3 262.401 2.833 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992984158 623828528 /nfs/dbraw/zinc/82/85/28/623828528.db2.gz ROCUSMPRQMEYHB-ZBFHGGJFSA-N 0 3 272.392 2.845 20 30 CFEDHN O=C(C#CC1CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000826642707 623828646 /nfs/dbraw/zinc/82/86/46/623828646.db2.gz NEHGQGJWZIEZMZ-SFHVURJKSA-N 0 3 296.414 2.571 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988655 623829927 /nfs/dbraw/zinc/82/99/27/623829927.db2.gz DQAUSFFHYWZOFS-RDJZCZTQSA-N 0 3 284.403 2.601 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992988261 623830728 /nfs/dbraw/zinc/83/07/28/623830728.db2.gz XBCONILFQXVWOE-WBVHZDCISA-N 0 3 284.403 2.601 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988653 623831034 /nfs/dbraw/zinc/83/10/34/623831034.db2.gz DQAUSFFHYWZOFS-DOTOQJQBSA-N 0 3 284.403 2.601 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2nccc3occc32)CC1 ZINC000826661389 623833092 /nfs/dbraw/zinc/83/30/92/623833092.db2.gz BAMHDNLKJWEFHC-UHFFFAOYSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993024729 623851111 /nfs/dbraw/zinc/85/11/11/623851111.db2.gz PGRXCBAUVKQRMV-DGCLKSJQSA-N 0 3 295.814 2.827 20 30 CFEDHN CC(C)(C)OC(=O)NC(C)(C)CN1CCC[C@H](CC#N)C1 ZINC000826861966 623895902 /nfs/dbraw/zinc/89/59/02/623895902.db2.gz PMKPYIRZQDETQQ-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H](C)C1(Cl)CC1 ZINC000925417848 623929355 /nfs/dbraw/zinc/92/93/55/623929355.db2.gz QSXYJGXRUVFPOA-LBPRGKRZSA-N 0 3 263.768 2.948 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CCC2)[C@@H]1C ZINC000993125211 623931343 /nfs/dbraw/zinc/93/13/43/623931343.db2.gz BEQLGJBEKITLHG-ZFWWWQNUSA-N 0 3 264.413 2.722 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC000993152045 623959784 /nfs/dbraw/zinc/95/97/84/623959784.db2.gz VESZBRQNCPQIJR-CABCVRRESA-N 0 3 288.391 2.502 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cnccc2C)[C@H]1C ZINC000993171087 623975159 /nfs/dbraw/zinc/97/51/59/623975159.db2.gz ZTXJHPZOGZKHHI-GDBMZVCRSA-N 0 3 287.407 2.549 20 30 CFEDHN N#CC(C(=O)CCC(=O)c1cccs1)c1ccccn1 ZINC000072590845 625691109 /nfs/dbraw/zinc/69/11/09/625691109.db2.gz DIXTWBSGOPNOJU-NSHDSACASA-N 0 3 284.340 2.982 20 30 CFEDHN CCN(CC)c1ccc(C=NOC[C@H]2CCOC2)cc1 ZINC000788037343 624005490 /nfs/dbraw/zinc/00/54/90/624005490.db2.gz UMHTYLBJDMBKDX-HNNXBMFYSA-N 0 3 276.380 2.920 20 30 CFEDHN C#C[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C1CCOCC1 ZINC000827566444 624034642 /nfs/dbraw/zinc/03/46/42/624034642.db2.gz VJKXEFQUKXWIQB-OAHLLOKOSA-N 0 3 293.794 2.872 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@@H]1C ZINC000993262687 624059504 /nfs/dbraw/zinc/05/95/04/624059504.db2.gz UPAQVAMGQUXGBB-WCQYABFASA-N 0 3 294.782 2.539 20 30 CFEDHN C#CCCN(C/C=C\c1ccc(F)cc1F)CCOC ZINC000827823394 624102380 /nfs/dbraw/zinc/10/23/80/624102380.db2.gz NRLYDUVUOMTZDM-WAYWQWQTSA-N 0 3 279.330 2.950 20 30 CFEDHN C=CCn1c(SC[C@@H]2CCCN2C)nnc1C1CC1 ZINC000915816174 624120209 /nfs/dbraw/zinc/12/02/09/624120209.db2.gz LECPQDVJBGDWBH-LBPRGKRZSA-N 0 3 278.425 2.528 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000827968759 624141292 /nfs/dbraw/zinc/14/12/92/624141292.db2.gz KJQVJRIHWWIPCP-SJLPKXTDSA-N 0 3 288.435 2.751 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993505853 624148238 /nfs/dbraw/zinc/14/82/38/624148238.db2.gz NOMCYRHJDZDFTJ-UERKLNTKSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993742983 624164521 /nfs/dbraw/zinc/16/45/21/624164521.db2.gz OSFSNPUZVJIDGB-RDJZCZTQSA-N 0 3 288.435 2.725 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC000993761753 624166103 /nfs/dbraw/zinc/16/61/03/624166103.db2.gz JUAOXEUHBFCHDV-LSDHHAIUSA-N 0 3 290.407 2.676 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993769761 624167361 /nfs/dbraw/zinc/16/73/61/624167361.db2.gz FCDBWFNDEJBHTM-LSDHHAIUSA-N 0 3 276.424 2.888 20 30 CFEDHN CC(CCc1ccc(OC(F)F)cc1)=Nn1cnnc1 ZINC000916584980 624260505 /nfs/dbraw/zinc/26/05/05/624260505.db2.gz XRKFFUDOWIYIGR-UHFFFAOYSA-N 0 3 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626099413 /nfs/dbraw/zinc/09/94/13/626099413.db2.gz RRCPLTQLPLISNW-ZDUSSCGKSA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C)s2)CC1 ZINC001000378938 626114167 /nfs/dbraw/zinc/11/41/67/626114167.db2.gz ASUGCYJPNDKHSU-UHFFFAOYSA-N 0 3 276.405 2.604 20 30 CFEDHN C#CCCCNCc1cc(C#N)ccc1Br ZINC000921794071 626126044 /nfs/dbraw/zinc/12/60/44/626126044.db2.gz QCENPMYBSYQZQT-UHFFFAOYSA-N 0 3 277.165 2.824 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2cscc2C)CC1 ZINC001001287108 626153071 /nfs/dbraw/zinc/15/30/71/626153071.db2.gz XDRCYRLPDGHJGL-UHFFFAOYSA-N 0 3 290.432 2.522 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001333032 626154780 /nfs/dbraw/zinc/15/47/80/626154780.db2.gz TXKZIDSDXFOJKE-WBVHZDCISA-N 0 3 276.424 2.603 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001001333029 626155064 /nfs/dbraw/zinc/15/50/64/626155064.db2.gz TXKZIDSDXFOJKE-NVXWUHKLSA-N 0 3 276.424 2.603 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccoc2CCC)CC1 ZINC001001370967 626156097 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/nfs/dbraw/zinc/44/84/74/626448474.db2.gz XWUJIQDJOFYLMW-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1C[C@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923545161 626479257 /nfs/dbraw/zinc/47/92/57/626479257.db2.gz PKHBIHZLRVWXGV-GJZGRUSLSA-N 0 3 272.392 2.545 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccnc(C)c2)CC1 ZINC001006163159 626480156 /nfs/dbraw/zinc/48/01/56/626480156.db2.gz NAQHARNHEGYUAQ-UHFFFAOYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccoc2CCC)CC1 ZINC001006295293 626482359 /nfs/dbraw/zinc/48/23/59/626482359.db2.gz SVHWZBJEOIFTFR-UHFFFAOYSA-N 0 3 290.407 2.955 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2ccccc2)CC1 ZINC001006305635 626482563 /nfs/dbraw/zinc/48/25/63/626482563.db2.gz IFIHNYFBPIIVSY-HNNXBMFYSA-N 0 3 286.419 2.899 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(CCCCC)C(C)C ZINC000838622785 626502178 /nfs/dbraw/zinc/50/21/78/626502178.db2.gz MSBFZXNHZZYZTO-UHFFFAOYSA-N 0 3 281.444 2.552 20 30 CFEDHN C[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788480 626506752 /nfs/dbraw/zinc/50/67/52/626506752.db2.gz VEKLMDYRTOEGQL-KOLCDFICSA-N 0 3 298.264 2.922 20 30 CFEDHN C#CCCOc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839191240 626530753 /nfs/dbraw/zinc/53/07/53/626530753.db2.gz HJYQYMOPMSKSAL-HOCLYGCPSA-N 0 3 273.401 2.778 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@@H](NCC2(C#N)CC2)C1(C)C ZINC000839200070 626532154 /nfs/dbraw/zinc/53/21/54/626532154.db2.gz PTFBNIZMPSZDJC-NEPJUHHUSA-N 0 3 250.386 2.862 20 30 CFEDHN C#C[C@H](NCc1cnn(Cc2ccc(F)cc2)c1)C(C)C ZINC000809685797 626548899 /nfs/dbraw/zinc/54/88/99/626548899.db2.gz SEFVTGARAOKOPD-KRWDZBQOSA-N 0 3 285.366 2.818 20 30 CFEDHN N#CC(C(=O)[C@@H]1CC12CCC2)c1nc2ccccc2[nH]1 ZINC000759814668 626693678 /nfs/dbraw/zinc/69/36/78/626693678.db2.gz NLPKHAGCPRSJII-QWRGUYRKSA-N 0 3 265.316 2.929 20 30 CFEDHN CCCCCCCC(=O)N1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000760210720 626720289 /nfs/dbraw/zinc/72/02/89/626720289.db2.gz ZPMGNRHNQVYIEA-UONOGXRCSA-N 0 3 286.485 2.851 20 30 CFEDHN C[C@H](OC1CCCCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760359897 626740004 /nfs/dbraw/zinc/74/00/04/626740004.db2.gz VHJZDOCZHPTABL-GXTWGEPZSA-N 0 3 287.363 2.781 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc(Br)c1 ZINC000760822412 626775273 /nfs/dbraw/zinc/77/52/73/626775273.db2.gz YSVIKURLNGYKGX-UHFFFAOYSA-N 0 3 296.208 2.921 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000761076955 626797947 /nfs/dbraw/zinc/79/79/47/626797947.db2.gz QGYCSWPTZNGCFN-CQSZACIVSA-N 0 3 271.408 2.624 20 30 CFEDHN C=CCN(CC=C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761184579 626813871 /nfs/dbraw/zinc/81/38/71/626813871.db2.gz LSQPBVKRPPOXGS-UHFFFAOYSA-N 0 3 268.401 2.964 20 30 CFEDHN C[C@H]1CC(N=Nc2ncnc3c4ccccc4oc32)CN1C ZINC000761804844 626859818 /nfs/dbraw/zinc/85/98/18/626859818.db2.gz SRSPOAILHNUBTI-JTQLQIEISA-N 0 3 295.346 2.868 20 30 CFEDHN CC#CCCN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000764981067 627110399 /nfs/dbraw/zinc/11/03/99/627110399.db2.gz WLKGENXIFJUYGM-UHFFFAOYSA-N 0 3 256.393 2.839 20 30 CFEDHN C#C[C@@H](C)[N@@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000766663255 627213391 /nfs/dbraw/zinc/21/33/91/627213391.db2.gz KIBJHARINGZIKH-GFCCVEGCSA-N 0 3 297.354 2.786 20 30 CFEDHN C#C[C@@H](C)[N@H+](C)Cc1c([O-])c(C(=O)OC)cc2ccccc21 ZINC000766663255 627213394 /nfs/dbraw/zinc/21/33/94/627213394.db2.gz KIBJHARINGZIKH-GFCCVEGCSA-N 0 3 297.354 2.786 20 30 CFEDHN C#CCCCN1CCc2c(cnn2-c2ccccc2)C1 ZINC000766896146 627225231 /nfs/dbraw/zinc/22/52/31/627225231.db2.gz XFDISNYNVDOZTL-UHFFFAOYSA-N 0 3 265.360 2.644 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)c1ccncn1 ZINC000766930554 627227571 /nfs/dbraw/zinc/22/75/71/627227571.db2.gz SMNYZTNAKUMCEJ-IOASZLSFSA-N 0 3 287.363 2.638 20 30 CFEDHN C#CCCCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000766936351 627227990 /nfs/dbraw/zinc/22/79/90/627227990.db2.gz YBCXXBHSKPBPSG-KRWDZBQOSA-N 0 3 255.361 2.574 20 30 CFEDHN CC(C)(C)[C@@H](CO)NCc1cc(Cl)ccc1OCC#N ZINC000769790850 627474504 /nfs/dbraw/zinc/47/45/04/627474504.db2.gz SUVUOFBCWCIPFT-CQSZACIVSA-N 0 3 296.798 2.739 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cccc(Br)c1 ZINC000769961056 627491593 /nfs/dbraw/zinc/49/15/93/627491593.db2.gz OCJSEKZCHWHJII-JTQLQIEISA-N 0 3 252.155 2.903 20 30 CFEDHN C#CCOCCN1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000851918783 634588374 /nfs/dbraw/zinc/58/83/74/634588374.db2.gz DFCHXGLXIRPZIV-UONOGXRCSA-N 0 3 273.376 2.653 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C3CC3)cc2)CC1 ZINC000772426215 627708958 /nfs/dbraw/zinc/70/89/58/627708958.db2.gz KCBJPRJVQYFFGY-UHFFFAOYSA-N 0 3 282.387 2.848 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=C2CCSCC2)nc(C)n1 ZINC000772643465 627730186 /nfs/dbraw/zinc/73/01/86/627730186.db2.gz MZGDCMNQTFTVBC-ZDUSSCGKSA-N 0 3 287.388 2.723 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772644415 627730853 /nfs/dbraw/zinc/73/08/53/627730853.db2.gz IIELHRFEGFKRRB-OAHLLOKOSA-N 0 3 296.326 2.732 20 30 CFEDHN C#CCCOC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772719502 627739225 /nfs/dbraw/zinc/73/92/25/627739225.db2.gz SAEXQGIYVVFRCR-UHFFFAOYSA-N 0 3 285.387 2.855 20 30 CFEDHN CCN(C)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000773758411 627855868 /nfs/dbraw/zinc/85/58/68/627855868.db2.gz YOCMWEUZBTUCIP-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN Cn1cnc2cc(CNCc3ccc(C#N)cc3)ccc21 ZINC000774805294 627964501 /nfs/dbraw/zinc/96/45/01/627964501.db2.gz AIALDHXYHZYOBP-UHFFFAOYSA-N 0 3 276.343 2.735 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)[C@H]1CCCO1 ZINC000775575843 628042442 /nfs/dbraw/zinc/04/24/42/628042442.db2.gz ZJJLWXDKPVNALV-JCGIZDLHSA-N 0 3 286.419 2.974 20 30 CFEDHN C#C[C@H](NCc1cc(C)nc2ccccc12)[C@@H]1CCCO1 ZINC000775783808 628067149 /nfs/dbraw/zinc/06/71/49/628067149.db2.gz DKFNDVNWNABSPK-WMZOPIPTSA-N 0 3 280.371 2.814 20 30 CFEDHN C#C[C@H](NCCSc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775788618 628068112 /nfs/dbraw/zinc/06/81/12/628068112.db2.gz ICXKVZZAIBRQSF-GJZGRUSLSA-N 0 3 279.380 2.688 20 30 CFEDHN C=CCN(Cc1ccc2c(c1)CCC(=O)N2C)C1CC1 ZINC000775972169 628088599 /nfs/dbraw/zinc/08/85/99/628088599.db2.gz SFYDOHGVYQBFCR-UHFFFAOYSA-N 0 3 270.376 2.746 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000775985117 628090992 /nfs/dbraw/zinc/09/09/92/628090992.db2.gz JUFVOULOTUSWKF-JKSUJKDBSA-N 0 3 286.419 2.613 20 30 CFEDHN COc1ccc(CN[C@H](C)c2cccc(CO)c2)cc1C#N ZINC000776309005 628129312 /nfs/dbraw/zinc/12/93/12/628129312.db2.gz BYOQDGUPJJWHLI-CYBMUJFWSA-N 0 3 296.370 2.910 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)s1)[C@H](O)C(F)(F)F ZINC000852035830 634631911 /nfs/dbraw/zinc/63/19/11/634631911.db2.gz QNBNQMHZDJHGOP-QWRGUYRKSA-N 0 3 292.326 2.657 20 30 CFEDHN Cc1ncsc1C=CC([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000777292031 628212269 /nfs/dbraw/zinc/21/22/69/628212269.db2.gz DXJNZMIOLZLORI-RXNFCKPNSA-N 0 3 298.371 2.748 20 30 CFEDHN Cc1ncsc1C=CC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000777292031 628212277 /nfs/dbraw/zinc/21/22/77/628212277.db2.gz DXJNZMIOLZLORI-RXNFCKPNSA-N 0 3 298.371 2.748 20 30 CFEDHN COC[C@H](C)NN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000777903410 628264077 /nfs/dbraw/zinc/26/40/77/628264077.db2.gz ZWMFKPXQBINISY-NZORMZDDSA-N 0 3 287.407 2.908 20 30 CFEDHN COc1ccc2nc(N=NC3CN(C)C[C@@H]3C)c(C)cc2c1 ZINC000777913975 628264568 /nfs/dbraw/zinc/26/45/68/628264568.db2.gz UNFAPQXLCVRHIA-LBPRGKRZSA-N 0 3 298.390 2.901 20 30 CFEDHN C=CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000778160285 628281730 /nfs/dbraw/zinc/28/17/30/628281730.db2.gz BTTZEOQXCYQBGR-NSHDSACASA-N 0 3 285.372 2.590 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@]1(C)CCOC1 ZINC000778169869 628282788 /nfs/dbraw/zinc/28/27/88/628282788.db2.gz DWWONTJVLHLCKO-MRXNPFEDSA-N 0 3 293.794 2.868 20 30 CFEDHN C#CCOCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000852054518 634638250 /nfs/dbraw/zinc/63/82/50/634638250.db2.gz YOCKYMCIODNTST-RBUKOAKNSA-N 0 3 295.382 2.701 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000852098203 634651823 /nfs/dbraw/zinc/65/18/23/634651823.db2.gz HJHYNRYFHFUQQT-ZAPJKBGESA-N 0 3 278.440 2.707 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000852098388 634652033 /nfs/dbraw/zinc/65/20/33/634652033.db2.gz LQDOPTUZOGVKRS-PBHICJAKSA-N 0 3 276.424 2.773 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000852099565 634654568 /nfs/dbraw/zinc/65/45/68/634654568.db2.gz MRBNCYLJGZNJNN-SJLPKXTDSA-N 0 3 284.403 2.572 20 30 CFEDHN C#C[C@](C)(CC)NCc1cc(=O)oc2cc(OC)ccc12 ZINC000852100201 634654628 /nfs/dbraw/zinc/65/46/28/634654628.db2.gz FYIWXPQGHPNLTQ-QGZVFWFLSA-N 0 3 285.343 2.693 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000852101174 634655408 /nfs/dbraw/zinc/65/54/08/634655408.db2.gz NNTAVOQWGKNBAU-ROUUACIJSA-N 0 3 284.403 2.645 20 30 CFEDHN CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(N)cc1 ZINC000780249036 628444870 /nfs/dbraw/zinc/44/48/70/628444870.db2.gz DZRKPXWQHKTPCA-CQSZACIVSA-N 0 3 261.369 2.540 20 30 CFEDHN CC(C)C[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000781419842 628546870 /nfs/dbraw/zinc/54/68/70/628546870.db2.gz DWVJPEWJALEWDW-DGCLKSJQSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@H](NCCCNc1ncccn1)c1ccc(C#N)cc1F ZINC000781420481 628547484 /nfs/dbraw/zinc/54/74/84/628547484.db2.gz APGVBLUWXHEXBV-LBPRGKRZSA-N 0 3 299.353 2.640 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000781914205 628590778 /nfs/dbraw/zinc/59/07/78/628590778.db2.gz TUEZUZGYRQZUPV-QWHCGFSZSA-N 0 3 294.420 2.511 20 30 CFEDHN CN(CCO)c1ccc(C=NN[C@H]2CCCC2(C)C)cc1 ZINC000782299901 628625809 /nfs/dbraw/zinc/62/58/09/628625809.db2.gz JRAAUCYJJZKYLO-INIZCTEOSA-N 0 3 289.423 2.617 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N1CCCCC1 ZINC000785536235 628892196 /nfs/dbraw/zinc/89/21/96/628892196.db2.gz CZGULKBGOUIMIC-DZGCQCFKSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)c1 ZINC000786311872 628947815 /nfs/dbraw/zinc/94/78/15/628947815.db2.gz NIEDVWXKMVSVFB-CYBMUJFWSA-N 0 3 283.331 2.582 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccsc1C ZINC000786927074 628985080 /nfs/dbraw/zinc/98/50/80/628985080.db2.gz CUBRQZNDTNRABB-CYBMUJFWSA-N 0 3 292.404 2.614 20 30 CFEDHN CC(C)[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070583 628991326 /nfs/dbraw/zinc/99/13/26/628991326.db2.gz YBEIJUCUSYFECN-HRCADAONSA-N 0 3 298.386 2.646 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCCC1 ZINC000787074810 628991558 /nfs/dbraw/zinc/99/15/58/628991558.db2.gz YGKDVWBLXPRYSU-MRXNPFEDSA-N 0 3 298.386 2.934 20 30 CFEDHN C#CCN(CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787406400 629011612 /nfs/dbraw/zinc/01/16/12/629011612.db2.gz KQOWKFOEKOORQI-RAXLEYEMSA-N 0 3 258.321 2.953 20 30 CFEDHN C#CCC1(C(=O)N[C@H]2CCCN(C(C)C)C2)CCCCC1 ZINC000788528721 629078962 /nfs/dbraw/zinc/07/89/62/629078962.db2.gz OFGBBZGUYSBLLO-INIZCTEOSA-N 0 3 290.451 2.949 20 30 CFEDHN Cc1cc(C)c([C@H](C)[NH2+]C2CCN(CC#N)CC2)c([O-])c1 ZINC000788595000 629085451 /nfs/dbraw/zinc/08/54/51/629085451.db2.gz QQLDOLYWWUUUNV-AWEZNQCLSA-N 0 3 287.407 2.648 20 30 CFEDHN C#C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C1CC1 ZINC000805902025 629183739 /nfs/dbraw/zinc/18/37/39/629183739.db2.gz GJXKJPWXDYSWFU-KRWDZBQOSA-N 0 3 283.371 2.851 20 30 CFEDHN CC[C@@H](C)NN=C(C)c1ccc(N2CCOCC2)cc1 ZINC000790189054 629218280 /nfs/dbraw/zinc/21/82/80/629218280.db2.gz MRJRBRFWBQEBOT-CYBMUJFWSA-N 0 3 275.396 2.635 20 30 CFEDHN Cn1cc[nH+]c1[N-]N=Cc1ccccc1C(F)(F)F ZINC000790305675 629228769 /nfs/dbraw/zinc/22/87/69/629228769.db2.gz MEFHCKZWYKQPOH-UHFFFAOYSA-N 0 3 268.242 2.885 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCCCCO ZINC000790484060 629242433 /nfs/dbraw/zinc/24/24/33/629242433.db2.gz UQEWCGWWMILVAI-UHFFFAOYSA-N 0 3 281.783 2.604 20 30 CFEDHN N#CC[C@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000852319546 634719811 /nfs/dbraw/zinc/71/98/11/634719811.db2.gz OPIZQTZCPAQDQE-CYBMUJFWSA-N 0 3 262.328 2.830 20 30 CFEDHN C=CCN(C/C=C/c1ccc(N(C)C)cc1)CCOC ZINC000835049298 629347750 /nfs/dbraw/zinc/34/77/50/629347750.db2.gz CSZKRXXYZDNLHN-VOTSOKGWSA-N 0 3 274.408 2.900 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CC[C@@H](C(=O)OC)C1 ZINC000792200078 629409456 /nfs/dbraw/zinc/40/94/56/629409456.db2.gz IBHDLZNAAGRKQC-HIFRSBDPSA-N 0 3 289.375 2.683 20 30 CFEDHN CCn1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000792314209 629420146 /nfs/dbraw/zinc/42/01/46/629420146.db2.gz XOYSUCUUBCKKDR-KRWDZBQOSA-N 0 3 283.375 2.545 20 30 CFEDHN C#C[C@@H](NC(=O)NC[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000852392495 634737358 /nfs/dbraw/zinc/73/73/58/634737358.db2.gz MKJWTWNLLKGPIU-JKSUJKDBSA-N 0 3 299.418 2.533 20 30 CFEDHN C[C@@]12CCN(Cc3ccnc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000792910240 629464598 /nfs/dbraw/zinc/46/45/98/629464598.db2.gz ZJJANGHNWYOKOV-QWHCGFSZSA-N 0 3 296.201 2.969 20 30 CFEDHN C[C@@H](OC(=O)c1cccc(CN(C)C)c1)C(C)(C)C#N ZINC000835245959 629559638 /nfs/dbraw/zinc/55/96/38/629559638.db2.gz SPPPJXHCABRYDL-GFCCVEGCSA-N 0 3 274.364 2.843 20 30 CFEDHN C[C@@H](NCC(=O)NCCC#N)c1cccc2ccccc21 ZINC000794817021 629690536 /nfs/dbraw/zinc/69/05/36/629690536.db2.gz UCTSMQWNQJILNM-CYBMUJFWSA-N 0 3 281.359 2.520 20 30 CFEDHN C=CCNN=C(C)c1ccc(OC)c(CN2CCCC2)c1 ZINC000794999117 629720565 /nfs/dbraw/zinc/72/05/65/629720565.db2.gz YFWIZWCIMXPGDS-UHFFFAOYSA-N 0 3 287.407 2.791 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796583242 629938143 /nfs/dbraw/zinc/93/81/43/629938143.db2.gz FDKUIRKSMOOJLH-QAPCUYQASA-N 0 3 298.430 2.566 20 30 CFEDHN C#CCCCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000839824104 630061045 /nfs/dbraw/zinc/06/10/45/630061045.db2.gz PJDQDGWPHDANEP-UHFFFAOYSA-N 0 3 262.328 2.629 20 30 CFEDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000797604724 630087741 /nfs/dbraw/zinc/08/77/41/630087741.db2.gz BRHYGTPGUVXGCQ-VXGBXAGGSA-N 0 3 281.400 2.572 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN(C)CCCCCC ZINC000798039391 630144261 /nfs/dbraw/zinc/14/42/61/630144261.db2.gz HNWFBMJSZSAXHH-WBVHZDCISA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CN(C)CCCCCC ZINC000798039388 630144309 /nfs/dbraw/zinc/14/43/09/630144309.db2.gz HNWFBMJSZSAXHH-NVXWUHKLSA-N 0 3 296.455 2.596 20 30 CFEDHN O=C1C=C(NNc2cccc3c2CCCC3)C2CCCN12 ZINC000799478233 630313035 /nfs/dbraw/zinc/31/30/35/630313035.db2.gz XTQKXFSRGSXJHG-INIZCTEOSA-N 0 3 283.375 2.728 20 30 CFEDHN C=C1CCN(CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000800343405 630373502 /nfs/dbraw/zinc/37/35/02/630373502.db2.gz PFQRSEUEGYTRJT-UHFFFAOYSA-N 0 3 266.385 2.505 20 30 CFEDHN Cc1nc(C)c([C@@H](C)N(C)CCO[C@H](C)C#N)s1 ZINC000801919004 630483785 /nfs/dbraw/zinc/48/37/85/630483785.db2.gz FPLRLGDMTJASGP-MWLCHTKSSA-N 0 3 267.398 2.681 20 30 CFEDHN Cc1nc(C)c([C@@H](C)N(C)CCO[C@@H](C)C#N)s1 ZINC000801919002 630483976 /nfs/dbraw/zinc/48/39/76/630483976.db2.gz FPLRLGDMTJASGP-GXSJLCMTSA-N 0 3 267.398 2.681 20 30 CFEDHN CCc1nc2c(s1)[C@H](N(C)CCO[C@H](C)C#N)CCC2 ZINC000801934480 630490756 /nfs/dbraw/zinc/49/07/56/630490756.db2.gz MTTCUYOHYUNHPE-DGCLKSJQSA-N 0 3 293.436 2.943 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NCCO[C@H](C)C#N ZINC000801937910 630492180 /nfs/dbraw/zinc/49/21/80/630492180.db2.gz XVWANPJVWTVPDP-CHWSQXEVSA-N 0 3 262.353 2.583 20 30 CFEDHN CC[C@H](NCCO[C@@H](C)C#N)c1ccccc1OC ZINC000801938061 630492210 /nfs/dbraw/zinc/49/22/10/630492210.db2.gz YFDHJRWAGRKDIR-JSGCOSHPSA-N 0 3 262.353 2.665 20 30 CFEDHN C#CCN[C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801957268 630495302 /nfs/dbraw/zinc/49/53/02/630495302.db2.gz HFMISTNOMNSXIF-CABCVRRESA-N 0 3 280.774 2.837 20 30 CFEDHN COC[C@@H](NCCO[C@@H](C)C#N)c1cccc(Cl)c1 ZINC000808798164 630533818 /nfs/dbraw/zinc/53/38/18/630533818.db2.gz JLCWYUWFCHQTAV-SMDDNHRTSA-N 0 3 282.771 2.546 20 30 CFEDHN CN(CC1=CCSC1)Cc1ccc(OCC#N)cc1 ZINC000852747681 634822180 /nfs/dbraw/zinc/82/21/80/634822180.db2.gz SSFUSPFOBXBCQR-UHFFFAOYSA-N 0 3 274.389 2.694 20 30 CFEDHN N#CC(C(=O)CCc1ccsc1)c1ccccn1 ZINC000041493371 649990919 /nfs/dbraw/zinc/99/09/19/649990919.db2.gz GTPYWNZFXFZVLO-LBPRGKRZSA-N 0 3 256.330 2.952 20 30 CFEDHN C#Cc1cncc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1 ZINC000807167353 630863561 /nfs/dbraw/zinc/86/35/61/630863561.db2.gz YMSRTIGIKSZGNB-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(CC)[C@H]1CCN(C)C1 ZINC000855360186 635517387 /nfs/dbraw/zinc/51/73/87/635517387.db2.gz IVUWDJWVCGGZDH-GJZGRUSLSA-N 0 3 297.443 2.510 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)C#CC(C)(C)C)CN1Cc1ccccc1 ZINC000837464860 631038470 /nfs/dbraw/zinc/03/84/70/631038470.db2.gz LMKFXLFITFCFJI-RDJZCZTQSA-N 0 3 298.430 2.815 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1 ZINC000809603117 631243813 /nfs/dbraw/zinc/24/38/13/631243813.db2.gz AHYQGHOBADOQKJ-UHFFFAOYSA-N 0 3 278.355 2.916 20 30 CFEDHN C#Cc1ccc(CN[C@@H](CO)c2ccccc2C)cc1 ZINC000809626217 631249899 /nfs/dbraw/zinc/24/98/99/631249899.db2.gz XQSSETFCOALNGY-SFHVURJKSA-N 0 3 265.356 2.800 20 30 CFEDHN C#C[C@@H](NCc1ccnn1-c1ccccc1OC)C(C)C ZINC000809685575 631262326 /nfs/dbraw/zinc/26/23/26/631262326.db2.gz BFBAQMHFSRMFAY-OAHLLOKOSA-N 0 3 283.375 2.628 20 30 CFEDHN C#C[C@H](NCc1cc(CC=C)c(O)c(OC)c1)C(C)C ZINC000809685326 631262575 /nfs/dbraw/zinc/26/25/75/631262575.db2.gz NRRYPWLYTVTELI-HNNXBMFYSA-N 0 3 273.376 2.877 20 30 CFEDHN C#Cc1ccc(CNCc2cnn3ccccc23)cc1 ZINC000809700952 631266253 /nfs/dbraw/zinc/26/62/53/631266253.db2.gz RSUWSDWLBMXATF-UHFFFAOYSA-N 0 3 261.328 2.605 20 30 CFEDHN C#C[C@H](NCc1cccc(OCCOC)c1)C(C)(C)C ZINC000809781338 631287969 /nfs/dbraw/zinc/28/79/69/631287969.db2.gz OYWMRIIYLOJCNL-INIZCTEOSA-N 0 3 275.392 2.849 20 30 CFEDHN N#CC(C(=O)[C@@H]1CCCSC1)c1nc2ccccc2[nH]1 ZINC000810519188 631379964 /nfs/dbraw/zinc/37/99/64/631379964.db2.gz AKRVYNXGSOVBOI-MNOVXSKESA-N 0 3 285.372 2.882 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NN[C@@H]1CCOC(C)(C)C1 ZINC000841633373 631438862 /nfs/dbraw/zinc/43/88/62/631438862.db2.gz JQOXQRCKVZEPPU-OAHLLOKOSA-N 0 3 289.423 2.942 20 30 CFEDHN c1ccc([C@@H]2CC(=NN[C@H]3CCOC3)CCN2C2CC2)cc1 ZINC000841635890 631439393 /nfs/dbraw/zinc/43/93/93/631439393.db2.gz QHKBRXYEQHQKKN-WMZOPIPTSA-N 0 3 299.418 2.720 20 30 CFEDHN CC(C)CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccncc1 ZINC000842527963 631652494 /nfs/dbraw/zinc/65/24/94/631652494.db2.gz FWNBDFQLQVXGFM-HUUCEWRRSA-N 0 3 299.422 2.692 20 30 CFEDHN CC(=NOCCOC(C)C)c1ccc(N(C)C)cc1 ZINC000812239666 631677024 /nfs/dbraw/zinc/67/70/24/631677024.db2.gz ZTLUDEJLSJSILQ-UHFFFAOYSA-N 0 3 264.369 2.918 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(CO)cc2)cc1 ZINC000842732136 631720476 /nfs/dbraw/zinc/72/04/76/631720476.db2.gz ISNDQRQXICTQCZ-AWEZNQCLSA-N 0 3 296.370 2.760 20 30 CFEDHN Cc1nc(NCCN2CCC[C@@H]2C)c(Cl)cc1C#N ZINC000812460605 631722075 /nfs/dbraw/zinc/72/20/75/631722075.db2.gz WFNSSYQLEXHJJR-JTQLQIEISA-N 0 3 278.787 2.811 20 30 CFEDHN C#C[C@H](N[C@H](C)C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000812792662 631780107 /nfs/dbraw/zinc/78/01/07/631780107.db2.gz GDINFSZDWJNFPE-IOASZLSFSA-N 0 3 261.340 2.905 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCCC2CC2)c1 ZINC000813091397 631832417 /nfs/dbraw/zinc/83/24/17/631832417.db2.gz XGFXZGVZRPAHDG-INIZCTEOSA-N 0 3 298.386 2.900 20 30 CFEDHN C=CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104130 631839440 /nfs/dbraw/zinc/83/94/40/631839440.db2.gz KJZSWIBXKLNUKY-GXTWGEPZSA-N 0 3 277.320 2.945 20 30 CFEDHN CC(C)OCC(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813214461 631883102 /nfs/dbraw/zinc/88/31/02/631883102.db2.gz XTAONQNTLITWEO-SNVBAGLBSA-N 0 3 286.253 2.702 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000843265023 631913269 /nfs/dbraw/zinc/91/32/69/631913269.db2.gz SPKBNZPBKSEPAC-NCQPTCLOSA-N 0 3 276.380 2.835 20 30 CFEDHN CC(C)O[C@@H]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000843413692 631947595 /nfs/dbraw/zinc/94/75/95/631947595.db2.gz MQDWPBAEIXJNCZ-RHSMWYFYSA-N 0 3 288.391 2.977 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000843422042 631951284 /nfs/dbraw/zinc/95/12/84/631951284.db2.gz BKETVKYQAPDBJD-CYBMUJFWSA-N 0 3 289.375 2.645 20 30 CFEDHN C#CC1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000843427933 631955355 /nfs/dbraw/zinc/95/53/55/631955355.db2.gz BPLZPXMZQUZPEZ-UHFFFAOYSA-N 0 3 259.349 2.549 20 30 CFEDHN C#CC1CCN(Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000843429131 631956142 /nfs/dbraw/zinc/95/61/42/631956142.db2.gz WBHKXURIPQXGNV-ZDUSSCGKSA-N 0 3 285.387 2.864 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H](C)SC ZINC000156291214 650051671 /nfs/dbraw/zinc/05/16/71/650051671.db2.gz SNMWENPJNZVKPT-RYUDHWBXSA-N 0 3 284.425 2.533 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814661678 632104692 /nfs/dbraw/zinc/10/46/92/632104692.db2.gz RMKXZLQDCHYFTB-ZDUSSCGKSA-N 0 3 272.348 2.707 20 30 CFEDHN C=CCC(F)(F)C(=O)Nc1ccccc1CN(C)C ZINC000814988128 632186109 /nfs/dbraw/zinc/18/61/09/632186109.db2.gz SDRVUASZVSOBHY-UHFFFAOYSA-N 0 3 268.307 2.898 20 30 CFEDHN C=CCC(F)(F)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000815328832 632251790 /nfs/dbraw/zinc/25/17/90/632251790.db2.gz JSIVFEFJKHCZTJ-CYBMUJFWSA-N 0 3 286.366 2.675 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560522 632289170 /nfs/dbraw/zinc/28/91/70/632289170.db2.gz JLNILVZDMZWMLZ-LLVKDONJSA-N 0 3 296.330 2.899 20 30 CFEDHN C[C@H](NCc1cc(C#N)ccc1F)[C@]1(C)CCCO1 ZINC000815595239 632294561 /nfs/dbraw/zinc/29/45/61/632294561.db2.gz LMBSBVYBKZEBGH-NHYWBVRUSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000815600929 632296512 /nfs/dbraw/zinc/29/65/12/632296512.db2.gz IXIHGNZNFNPJFO-ZIAGYGMSSA-N 0 3 263.381 2.844 20 30 CFEDHN C#CCCCCCC(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845733258 632539055 /nfs/dbraw/zinc/53/90/55/632539055.db2.gz UOTSBNLAYVEBBT-AWEZNQCLSA-N 0 3 265.397 2.986 20 30 CFEDHN CC([C@H](OC(=O)CCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845876272 632588908 /nfs/dbraw/zinc/58/89/08/632588908.db2.gz BSDNXQNPJRWGEE-HZMBPMFUSA-N 0 3 294.282 2.769 20 30 CFEDHN C#CCCCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882699 632590435 /nfs/dbraw/zinc/59/04/35/632590435.db2.gz PVJUBCLRSKBSEA-NHYWBVRUSA-N 0 3 293.294 2.879 20 30 CFEDHN COc1ccc(CNCc2cc(C)nc(C)c2)cc1C#N ZINC000817409802 632623653 /nfs/dbraw/zinc/62/36/53/632623653.db2.gz GKCSSEYHRPEQAT-UHFFFAOYSA-N 0 3 281.359 2.869 20 30 CFEDHN CCCCCCN(C)CC(=O)N1Cc2cccc(C#N)c2C1 ZINC000846620243 632760528 /nfs/dbraw/zinc/76/05/28/632760528.db2.gz JGNLANSTRZFGPT-UHFFFAOYSA-N 0 3 299.418 2.913 20 30 CFEDHN CN(C(=O)[C@H](N)CCCC#N)C1CCCCCCC1 ZINC000818105997 632801986 /nfs/dbraw/zinc/80/19/86/632801986.db2.gz RUHRGZXEVGRKBU-CQSZACIVSA-N 0 3 265.401 2.579 20 30 CFEDHN C=C(Br)CN[C@H](CC)[C@H]1CCCCO1 ZINC000847074608 632911829 /nfs/dbraw/zinc/91/18/29/632911829.db2.gz AVFRRTDLCZRJAF-GHMZBOCLSA-N 0 3 262.191 2.832 20 30 CFEDHN C#C[C@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000847021882 632887917 /nfs/dbraw/zinc/88/79/17/632887917.db2.gz CNEIGUMRWXDVLV-IRXDYDNUSA-N 0 3 298.430 2.687 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCC#N ZINC000847620071 633010195 /nfs/dbraw/zinc/01/01/95/633010195.db2.gz QSFWGURVZCRBEK-LBPRGKRZSA-N 0 3 280.331 2.834 20 30 CFEDHN C[C@@H](COC(=O)c1cccc(C#N)c1)N1CCCCC1 ZINC000847958379 633165332 /nfs/dbraw/zinc/16/53/32/633165332.db2.gz ISLQZILSKIRLEB-ZDUSSCGKSA-N 0 3 272.348 2.589 20 30 CFEDHN Clc1ccc(N=NC2CCCN3CCCC[C@H]23)nn1 ZINC000848398768 633248559 /nfs/dbraw/zinc/24/85/59/633248559.db2.gz FBAOBQIMQWMVKI-LLVKDONJSA-N 0 3 279.775 2.546 20 30 CFEDHN Fc1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848405333 633250127 /nfs/dbraw/zinc/25/01/27/633250127.db2.gz HKFZDHPWLMWKHX-CYBMUJFWSA-N 0 3 262.332 2.637 20 30 CFEDHN FC(F)(F)CCN=NC1CCCN2CCCC[C@@H]12 ZINC000848409959 633251937 /nfs/dbraw/zinc/25/19/37/633251937.db2.gz GFFFDSBHEKJTSF-NSHDSACASA-N 0 3 263.307 2.533 20 30 CFEDHN Fc1cnc(N=NC2CCCN3CCCC[C@H]23)c(F)c1 ZINC000848412345 633252429 /nfs/dbraw/zinc/25/24/29/633252429.db2.gz OEDBIAXJGFOKHR-CYBMUJFWSA-N 0 3 280.322 2.776 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(OCC)c(OC)c2)C1 ZINC000848922977 633405098 /nfs/dbraw/zinc/40/50/98/633405098.db2.gz ASXZDPAYEQMEAO-AWEZNQCLSA-N 0 3 273.376 2.939 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(O)c(OCC)c2)C1 ZINC000848924448 633407121 /nfs/dbraw/zinc/40/71/21/633407121.db2.gz SPGPZVUZKDSAFY-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000848924739 633407929 /nfs/dbraw/zinc/40/79/29/633407929.db2.gz ZELSTCYWBNBTEW-AWEZNQCLSA-N 0 3 265.360 2.922 20 30 CFEDHN C=CCCn1cc(CNC[C@H](C)c2cccc(F)c2)nn1 ZINC000850082411 633828349 /nfs/dbraw/zinc/82/83/49/633828349.db2.gz RTWDWRJOINLKED-ZDUSSCGKSA-N 0 3 288.370 2.887 20 30 CFEDHN C=CCC1(NCc2nc(C)cs2)CCOCC1 ZINC000850368664 633958609 /nfs/dbraw/zinc/95/86/09/633958609.db2.gz OEANEZLQZZAAHM-UHFFFAOYSA-N 0 3 252.383 2.666 20 30 CFEDHN N#Cc1csc(CNC[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850378520 633965549 /nfs/dbraw/zinc/96/55/49/633965549.db2.gz HLMWMIVJZOVAIN-NEPJUHHUSA-N 0 3 284.331 2.524 20 30 CFEDHN C#Cc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850380165 633967816 /nfs/dbraw/zinc/96/78/16/633967816.db2.gz OOXXFJIOALIXHU-CABCVRRESA-N 0 3 277.314 2.572 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2C[C@@H](O)c3ccccc32)C1 ZINC000850529327 634035835 /nfs/dbraw/zinc/03/58/35/634035835.db2.gz QHVXREHVLLGRBS-NOXHYTERSA-N 0 3 256.349 2.837 20 30 CFEDHN N#CC(C(=O)CCCc1cccnc1)c1ccccn1 ZINC000850755112 634080762 /nfs/dbraw/zinc/08/07/62/634080762.db2.gz BLNDELFBWAQDTN-AWEZNQCLSA-N 0 3 265.316 2.676 20 30 CFEDHN CO[C@@H]1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000850781918 634091070 /nfs/dbraw/zinc/09/10/70/634091070.db2.gz GJHJQOWRFOIICN-QJPTWQEYSA-N 0 3 284.315 2.819 20 30 CFEDHN C[C@H](CC#N)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000850938172 634145551 /nfs/dbraw/zinc/14/55/51/634145551.db2.gz RKMLTXFNSURIQH-GDBMZVCRSA-N 0 3 286.375 2.744 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000850978575 634163063 /nfs/dbraw/zinc/16/30/63/634163063.db2.gz VYNFTBUOIXMWLZ-QEJZJMRPSA-N 0 3 297.358 2.513 20 30 CFEDHN C[C@H]1CCCCN1N=Cc1ccccc1N1CCOCC1 ZINC000853378978 634986491 /nfs/dbraw/zinc/98/64/91/634986491.db2.gz BDSINNQKWZQANV-HNNXBMFYSA-N 0 3 287.407 2.732 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000853519421 635025961 /nfs/dbraw/zinc/02/59/61/635025961.db2.gz RLRJCBRGCBGMMZ-AWEZNQCLSA-N 0 3 285.387 2.721 20 30 CFEDHN C=CC[C@H]1CCCN(CN2CCSC2=S)C1 ZINC000853537097 635032312 /nfs/dbraw/zinc/03/23/12/635032312.db2.gz OWEDVCZULZHPFD-NSHDSACASA-N 0 3 256.440 2.566 20 30 CFEDHN C=CCN1CCN(CN2CCC[C@@H]3CCCC[C@@H]32)C1=O ZINC000853634064 635054278 /nfs/dbraw/zinc/05/42/78/635054278.db2.gz JRZKAZIQONDZTQ-GJZGRUSLSA-N 0 3 277.412 2.522 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000853764375 635098684 /nfs/dbraw/zinc/09/86/84/635098684.db2.gz UUUIBKYYSZALLW-MRVPVSSYSA-N 0 3 284.816 2.953 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2snc(Cl)c2C#N)C1 ZINC000853764376 635098801 /nfs/dbraw/zinc/09/88/01/635098801.db2.gz UUUIBKYYSZALLW-QMMMGPOBSA-N 0 3 284.816 2.953 20 30 CFEDHN C=CCCCCCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000854066012 635203200 /nfs/dbraw/zinc/20/32/00/635203200.db2.gz YDKVYFCGOYAHLA-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN CC[C@H](C#N)C(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 ZINC000854514435 635322866 /nfs/dbraw/zinc/32/28/66/635322866.db2.gz BTNSNAPUAUEHFN-FRFSOERESA-N 0 3 297.402 2.679 20 30 CFEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)CC#N ZINC000854515673 635323991 /nfs/dbraw/zinc/32/39/91/635323991.db2.gz YXISHEHUPQAHCJ-YSVLISHTSA-N 0 3 297.402 2.679 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccccc2NC(C)C)CC1 ZINC000855862270 635675621 /nfs/dbraw/zinc/67/56/21/635675621.db2.gz RRLFOMJAWSUOAJ-UHFFFAOYSA-N 0 3 299.418 2.791 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015391565 651199633 /nfs/dbraw/zinc/19/96/33/651199633.db2.gz JEGPMOPNMXBYQG-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(CCCC#N)C2 ZINC000856813513 635867941 /nfs/dbraw/zinc/86/79/41/635867941.db2.gz HZSLWWHWGUHWFT-CZUORRHYSA-N 0 3 293.411 2.669 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(CCCC#N)C2 ZINC000856813514 635868024 /nfs/dbraw/zinc/86/80/24/635868024.db2.gz HZSLWWHWGUHWFT-XJKSGUPXSA-N 0 3 293.411 2.669 20 30 CFEDHN Cc1cccc(F)c1CNC[C@@H](O)CC(C)(C)C#N ZINC000857236085 635954134 /nfs/dbraw/zinc/95/41/34/635954134.db2.gz VRRYXOCMEVHADC-LBPRGKRZSA-N 0 3 264.344 2.525 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2nccc(C)c2C2CC2)CC1 ZINC000857312258 635964026 /nfs/dbraw/zinc/96/40/26/635964026.db2.gz JLLXBNJSVMPJFM-UHFFFAOYSA-N 0 3 297.402 2.551 20 30 CFEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@H](C)CC#N ZINC000857574086 635985951 /nfs/dbraw/zinc/98/59/51/635985951.db2.gz YXISHEHUPQAHCJ-KMFMINBZSA-N 0 3 297.402 2.679 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@H]2CSCCS2)c1 ZINC000857760955 636023451 /nfs/dbraw/zinc/02/34/51/636023451.db2.gz CCPRRTOVHPTCTN-NSHDSACASA-N 0 3 299.852 2.545 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN([C@H]3CC[C@@H](C#N)C3)C2)nc1 ZINC000858039709 636117613 /nfs/dbraw/zinc/11/76/13/636117613.db2.gz HHJSYAKEEHMYJA-QLFBSQMISA-N 0 3 271.364 2.535 20 30 CFEDHN C#CCN(CCOC1CCOCC1)[C@H]1CCc2ccccc21 ZINC000859090588 636450068 /nfs/dbraw/zinc/45/00/68/636450068.db2.gz UZBGMBDTWWPESD-IBGZPJMESA-N 0 3 299.414 2.805 20 30 CFEDHN C#CCN(C)CCCNC(=O)OCc1cccc(Cl)c1 ZINC000859173206 636486196 /nfs/dbraw/zinc/48/61/96/636486196.db2.gz XJGLOIPCOGOJTG-UHFFFAOYSA-N 0 3 294.782 2.521 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H](OCC)C1CC1 ZINC000859300944 636535954 /nfs/dbraw/zinc/53/59/54/636535954.db2.gz GGLCMRDWEXCTPJ-QGZVFWFLSA-N 0 3 257.377 2.937 20 30 CFEDHN Cc1ccc(CN2CCC3(CC2)OCCCO3)cc1C#N ZINC000859316560 636539836 /nfs/dbraw/zinc/53/98/36/636539836.db2.gz XGPZHSDLEUSBAE-UHFFFAOYSA-N 0 3 286.375 2.596 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@@H](C)C1(F)F ZINC000859412342 636558977 /nfs/dbraw/zinc/55/89/77/636558977.db2.gz SHCUCSZZCAQAAJ-JMSVASOKSA-N 0 3 294.345 2.815 20 30 CFEDHN CCN(CCNC(=O)OC(C)(C)C)[C@H](C)CCC#N ZINC000859533437 636591474 /nfs/dbraw/zinc/59/14/74/636591474.db2.gz MPUDDABMWDYOFT-GFCCVEGCSA-N 0 3 269.389 2.525 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)C(F)(F)F ZINC000860468040 636892240 /nfs/dbraw/zinc/89/22/40/636892240.db2.gz HYILLQCJEODFBC-GXSJLCMTSA-N 0 3 298.264 2.922 20 30 CFEDHN C#CC[C@@H](COC)N[C@@H](C)c1cc2cnccc2o1 ZINC000862551379 637423272 /nfs/dbraw/zinc/42/32/72/637423272.db2.gz UFAFKCRXNJAZEE-AAEUAGOBSA-N 0 3 258.321 2.517 20 30 CFEDHN Cc1cc([N-][NH+]=Cc2ccc(N3CCCCC3)o2)ccn1 ZINC000863158661 637572925 /nfs/dbraw/zinc/57/29/25/637572925.db2.gz LCCHQYYQYFQXBS-UHFFFAOYSA-N 0 3 284.363 2.841 20 30 CFEDHN COc1ccc(C)cc1C(C)=NNc1ccnc(C)c1 ZINC000863159027 637573235 /nfs/dbraw/zinc/57/32/35/637573235.db2.gz ZXGNXDYODFPKMO-UHFFFAOYSA-N 0 3 269.348 2.965 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc(O)c(F)c2)cc1 ZINC000120453981 638240216 /nfs/dbraw/zinc/24/02/16/638240216.db2.gz WCIVSRZVEZGEQW-UHFFFAOYSA-N 0 3 285.318 2.833 20 30 CFEDHN C#CCOc1ccc(C[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000120453981 638240225 /nfs/dbraw/zinc/24/02/25/638240225.db2.gz WCIVSRZVEZGEQW-UHFFFAOYSA-N 0 3 285.318 2.833 20 30 CFEDHN C=CCN1CCC(Nc2cc(CC(C)C)ncn2)CC1 ZINC000865521758 638393042 /nfs/dbraw/zinc/39/30/42/638393042.db2.gz FWVZSKARVJXKNA-UHFFFAOYSA-N 0 3 274.412 2.737 20 30 CFEDHN CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@H]1CCCN(C)C1 ZINC000865560265 638423116 /nfs/dbraw/zinc/42/31/16/638423116.db2.gz FLCPHIVGBBYKRK-LBPRGKRZSA-N 0 3 298.312 2.502 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1cn(CCC)nn1 ZINC000865604241 638453201 /nfs/dbraw/zinc/45/32/01/638453201.db2.gz UZGJMCMVKXWVIG-INIZCTEOSA-N 0 3 284.407 2.965 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNCC(C)(C)F)cc1 ZINC000865654188 638491542 /nfs/dbraw/zinc/49/15/42/638491542.db2.gz LKIDAOITDAQMCI-LLVKDONJSA-N 0 3 250.317 2.815 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001016389636 651232913 /nfs/dbraw/zinc/23/29/13/651232913.db2.gz RQXGEEOPNRVHQH-LLVKDONJSA-N 0 3 282.384 2.658 20 30 CFEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CCC2)o1 ZINC000865857455 638618068 /nfs/dbraw/zinc/61/80/68/638618068.db2.gz ROYFNDWCZJFMOJ-AWEZNQCLSA-N 0 3 260.337 2.733 20 30 CFEDHN C=CCN1CCC(N[C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866261747 638783226 /nfs/dbraw/zinc/78/32/26/638783226.db2.gz YUNMUWLAEKJUFA-WBVHZDCISA-N 0 3 290.382 2.698 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCc2cccc3cccc1c32 ZINC000866326018 638797398 /nfs/dbraw/zinc/79/73/98/638797398.db2.gz HQDZOTXOQSALKC-INIZCTEOSA-N 0 3 280.371 2.719 20 30 CFEDHN C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866400347 638815511 /nfs/dbraw/zinc/81/55/11/638815511.db2.gz YXRXGUINCIZJRA-UONOGXRCSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H]1C[C@@H](N[C@H]2Cc3ccc(C#N)cc3C2)c2nccn21 ZINC000866616259 638855212 /nfs/dbraw/zinc/85/52/12/638855212.db2.gz MSGLYMVYULJKGO-XFBWCDHKSA-N 0 3 278.359 2.518 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1cccs1 ZINC000121611201 638878274 /nfs/dbraw/zinc/87/82/74/638878274.db2.gz IUIPBGHDOVRCNM-RYUDHWBXSA-N 0 3 292.404 2.867 20 30 CFEDHN CC[C@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(C)cc1 ZINC000121736863 638889381 /nfs/dbraw/zinc/88/93/81/638889381.db2.gz GZQVKCSEYKUOJL-CZUORRHYSA-N 0 3 298.386 2.866 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867989173 638911563 /nfs/dbraw/zinc/91/15/63/638911563.db2.gz DBKJLXALFUNFTF-DOMZBBRYSA-N 0 3 288.391 2.793 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000122289455 638978886 /nfs/dbraw/zinc/97/88/86/638978886.db2.gz MWINBKAXJXPPLZ-CHWSQXEVSA-N 0 3 295.427 2.962 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCC(C)(C)C#N)C1 ZINC000122289009 638979046 /nfs/dbraw/zinc/97/90/46/638979046.db2.gz MWINBKAXJXPPLZ-QWHCGFSZSA-N 0 3 295.427 2.962 20 30 CFEDHN CC(C)OCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000078735594 650528228 /nfs/dbraw/zinc/52/82/28/650528228.db2.gz DIQUZJSHEFCVAK-NSHDSACASA-N 0 3 272.304 2.819 20 30 CFEDHN CN(CC#Cc1ccccc1)Cc1ccccc1O ZINC000192102736 650539421 /nfs/dbraw/zinc/53/94/21/650539421.db2.gz UQCKUWKZGDSXSL-UHFFFAOYSA-N 0 3 251.329 2.876 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001017324969 651249860 /nfs/dbraw/zinc/24/98/60/651249860.db2.gz RGYNGUUDWJBJEI-GASCZTMLSA-N 0 3 262.397 2.594 20 30 CFEDHN C#CCN(C[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000079997258 650635144 /nfs/dbraw/zinc/63/51/44/650635144.db2.gz JOTFNZQBLYLBQH-DOTOQJQBSA-N 0 3 255.361 2.788 20 30 CFEDHN CCOc1cccc(CN2CCC(C#N)CC2)c1O ZINC000123704717 641363553 /nfs/dbraw/zinc/36/35/53/641363553.db2.gz HOXCZVXPITWAIQ-UHFFFAOYSA-N 0 3 260.337 2.526 20 30 CFEDHN CC[C@H](NCCCC#N)C(=O)Nc1ccc(C)cc1 ZINC000871881050 641497471 /nfs/dbraw/zinc/49/74/71/641497471.db2.gz FRRDUFHGDUSKPZ-AWEZNQCLSA-N 0 3 259.353 2.606 20 30 CFEDHN C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872079174 641612304 /nfs/dbraw/zinc/61/23/04/641612304.db2.gz VWTLSYGATVHDHX-QWRGUYRKSA-N 0 3 253.317 2.509 20 30 CFEDHN C[C@@H](N[C@H]1CC[C@H](C#N)C1)c1ccccc1[N+](=O)[O-] ZINC000872129512 641657591 /nfs/dbraw/zinc/65/75/91/641657591.db2.gz FYVDUIVQXZPLMY-WOPDTQHZSA-N 0 3 259.309 2.938 20 30 CFEDHN Cc1sc2ncnc(N=NC3CCN(C)[C@@H]3C)c2c1C ZINC000872331003 641758339 /nfs/dbraw/zinc/75/83/39/641758339.db2.gz ZEERTRHYPUPQPE-SECBINFHSA-N 0 3 289.408 2.800 20 30 CFEDHN C[C@H]1C(N=Nc2nccc3sccc32)CCN1C ZINC000872343433 641760393 /nfs/dbraw/zinc/76/03/93/641760393.db2.gz BIXHHFZGRZBQRP-VIFPVBQESA-N 0 3 260.366 2.788 20 30 CFEDHN CN1CCC[C@H]2[C@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780985 641934839 /nfs/dbraw/zinc/93/48/39/641934839.db2.gz OWOPUZYHZZVGAD-CABCVRRESA-N 0 3 298.434 2.924 20 30 CFEDHN C=CCOCCCNCc1c(F)cccc1OCC ZINC000873137922 642027561 /nfs/dbraw/zinc/02/75/61/642027561.db2.gz KPFYRLUVOMZISD-UHFFFAOYSA-N 0 3 267.344 2.907 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H]3[C@H]2CCCN3C)CCCC1 ZINC000874826718 642511623 /nfs/dbraw/zinc/51/16/23/642511623.db2.gz PKYVKAGBIVICGG-LSDHHAIUSA-N 0 3 276.424 2.818 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CCCCC1 ZINC000874830786 642514331 /nfs/dbraw/zinc/51/43/31/642514331.db2.gz UENBOGJHJWBDLU-CVEARBPZSA-N 0 3 288.435 2.655 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC(C)C)CC(C)C ZINC000876543013 642912594 /nfs/dbraw/zinc/91/25/94/642912594.db2.gz CPGBWRHXKSSDIV-GFCCVEGCSA-N 0 3 260.809 2.597 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCc1ccccc1 ZINC000876548254 642916377 /nfs/dbraw/zinc/91/63/77/642916377.db2.gz ZLMKEMQCVGJSIZ-TZMCWYRMSA-N 0 3 280.799 2.594 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCCC(C)C ZINC000876548065 642916467 /nfs/dbraw/zinc/91/64/67/642916467.db2.gz RYIGWNGPYTXCNO-NEPJUHHUSA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000876548776 642916681 /nfs/dbraw/zinc/91/66/81/642916681.db2.gz SQEOLWQYNMFRSA-JTQLQIEISA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1CC ZINC000876553153 642918351 /nfs/dbraw/zinc/91/83/51/642918351.db2.gz IORQCZNTDUMOME-LLVKDONJSA-N 0 3 252.745 2.657 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](CC)c1ccccc1 ZINC000876561701 642924159 /nfs/dbraw/zinc/92/41/59/642924159.db2.gz QVHQABYFPJZLDK-GXTWGEPZSA-N 0 3 280.799 2.766 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C1CCCCC1 ZINC000876575458 642930293 /nfs/dbraw/zinc/93/02/93/642930293.db2.gz FSFVAKBXZPVIKV-PWSUYJOCSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000876574773 642930434 /nfs/dbraw/zinc/93/04/34/642930434.db2.gz ZOOXLEGCKRXXCB-UONOGXRCSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1C ZINC000876588242 642934901 /nfs/dbraw/zinc/93/49/01/642934901.db2.gz CUHYJORRRAUGFT-TZMCWYRMSA-N 0 3 280.799 2.984 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(Cl)s1 ZINC000876605030 642942178 /nfs/dbraw/zinc/94/21/78/642942178.db2.gz PXJDAHHLWSZUBU-SECBINFHSA-N 0 3 293.219 2.530 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CCCC)CC(F)(F)F ZINC000876604731 642942198 /nfs/dbraw/zinc/94/21/98/642942198.db2.gz DSKFXTQOTWHTCQ-VIFPVBQESA-N 0 3 286.725 2.647 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCCCCCC1 ZINC000876609376 642943944 /nfs/dbraw/zinc/94/39/44/642943944.db2.gz RVKALWRFJSTPTQ-CYBMUJFWSA-N 0 3 272.820 2.933 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCC(CC)CC1 ZINC000876611837 642944597 /nfs/dbraw/zinc/94/45/97/642944597.db2.gz SYCHPOVBXFWCEA-WXRRBKDZSA-N 0 3 272.820 2.789 20 30 CFEDHN C=CCOc1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000126054987 642944680 /nfs/dbraw/zinc/94/46/80/642944680.db2.gz DPHPTVXULMWCKB-UHFFFAOYSA-N 0 3 289.375 2.590 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000876637598 642953436 /nfs/dbraw/zinc/95/34/36/642953436.db2.gz PTIIAQRLXFYWED-OCCSQVGLSA-N 0 3 294.826 2.939 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000876639728 642954332 /nfs/dbraw/zinc/95/43/32/642954332.db2.gz HZDBFPOKUMNAHQ-GWCFXTLKSA-N 0 3 282.771 2.802 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N([C@@H](C)[C@H](C)CC)C1CC1 ZINC000876649215 642958144 /nfs/dbraw/zinc/95/81/44/642958144.db2.gz PAQAHRGDUYKKOI-CDMKHQONSA-N 0 3 272.820 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000876649218 642958233 /nfs/dbraw/zinc/95/82/33/642958233.db2.gz PAQAHRGDUYKKOI-XWIASGKRSA-N 0 3 272.820 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)Cc1ccc(C)cc1C ZINC000876651993 642958877 /nfs/dbraw/zinc/95/88/77/642958877.db2.gz FPKDTEQTKMMEJH-HIFRSBDPSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CSC)c1 ZINC000876654034 642959933 /nfs/dbraw/zinc/95/99/33/642959933.db2.gz XDAYAWMNWIDDMD-LBPRGKRZSA-N 0 3 284.812 2.958 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(CC)c1ccccc1 ZINC000876653733 642960160 /nfs/dbraw/zinc/96/01/60/642960160.db2.gz VBFIOGWKVDMBSH-ZFWWWQNUSA-N 0 3 280.799 2.898 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000876659701 642961944 /nfs/dbraw/zinc/96/19/44/642961944.db2.gz DVWFJYWOMRSOTL-FVCCEPFGSA-N 0 3 270.804 2.636 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000876665049 642963760 /nfs/dbraw/zinc/96/37/60/642963760.db2.gz MQRMLYYNNULNAZ-OLZOCXBDSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCCC)C1CCC1 ZINC000876666972 642964728 /nfs/dbraw/zinc/96/47/28/642964728.db2.gz ZSPIAJYQZFCHKH-CHWSQXEVSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000876669785 642965177 /nfs/dbraw/zinc/96/51/77/642965177.db2.gz YGMUYPLRWPGRDZ-QEJZJMRPSA-N 0 3 292.810 2.861 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000876673968 642967233 /nfs/dbraw/zinc/96/72/33/642967233.db2.gz WNSCPZWLLUWKDR-SMDDNHRTSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC000876676790 642969645 /nfs/dbraw/zinc/96/96/45/642969645.db2.gz XYCMVJPOQSZUAK-LBPRGKRZSA-N 0 3 294.782 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cc2ccccc2o1 ZINC000876687486 642972500 /nfs/dbraw/zinc/97/25/00/642972500.db2.gz JWSZNEHTIKIZLQ-ZDUSSCGKSA-N 0 3 292.766 2.861 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000876691050 642975718 /nfs/dbraw/zinc/97/57/18/642975718.db2.gz YNYROHKHZDSNMN-CBAPKCEASA-N 0 3 286.725 2.550 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000876729843 642985723 /nfs/dbraw/zinc/98/57/23/642985723.db2.gz YXWBSOAZHGPTLJ-AWEZNQCLSA-N 0 3 293.798 2.695 20 30 CFEDHN C[C@@H](CCC#N)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000876741327 642989023 /nfs/dbraw/zinc/98/90/23/642989023.db2.gz SLKOJYDNZPSFJE-LBPRGKRZSA-N 0 3 273.336 2.893 20 30 CFEDHN C[C@H](CCC#N)CNc1ccc(N2CCN(C)CC2)cc1 ZINC000876837309 643033266 /nfs/dbraw/zinc/03/32/66/643033266.db2.gz CINFEZPTAXEXHX-OAHLLOKOSA-N 0 3 286.423 2.790 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000876881894 643048636 /nfs/dbraw/zinc/04/86/36/643048636.db2.gz SCNZDOHJXMWJKQ-CYBMUJFWSA-N 0 3 299.201 2.695 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CC1(c2ccccc2)CC1 ZINC000876894497 643055684 /nfs/dbraw/zinc/05/56/84/643055684.db2.gz SWBRCYWYVKBUFP-AWEZNQCLSA-N 0 3 292.810 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1cc(C)ccc1C ZINC000876898984 643057073 /nfs/dbraw/zinc/05/70/73/643057073.db2.gz YHONWACQEXZBEQ-AWEZNQCLSA-N 0 3 280.799 2.732 20 30 CFEDHN C#CCCCCCCN[C@@H](C)c1nnc2ccccn21 ZINC000876903550 643059232 /nfs/dbraw/zinc/05/92/32/643059232.db2.gz XCCYXYMLLGHSPC-AWEZNQCLSA-N 0 3 270.380 2.964 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C)c2cccc(O)c21 ZINC000876908178 643061537 /nfs/dbraw/zinc/06/15/37/643061537.db2.gz KTQFOOZKIQSTHG-BXKDBHETSA-N 0 3 294.782 2.702 20 30 CFEDHN Cc1csc(CCNCc2cc(C#N)cnc2Cl)n1 ZINC000876930478 643068955 /nfs/dbraw/zinc/06/89/55/643068955.db2.gz XOSLHAQGCJVJRB-UHFFFAOYSA-N 0 3 292.795 2.704 20 30 CFEDHN C[C@H]1CCCCN1CCNCc1cc(C#N)cnc1Cl ZINC000876931905 643069762 /nfs/dbraw/zinc/06/97/62/643069762.db2.gz YCSWNAKFLQKEHD-LBPRGKRZSA-N 0 3 292.814 2.571 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2cccc(C)c2)CCC1 ZINC000876935535 643071101 /nfs/dbraw/zinc/07/11/01/643071101.db2.gz APCGBLPLAVSUTA-CQSZACIVSA-N 0 3 292.810 2.960 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000876947952 643074892 /nfs/dbraw/zinc/07/48/92/643074892.db2.gz HQERMXXQGBJHOX-BDAKNGLRSA-N 0 3 299.629 2.547 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H]1CCc2ccccc21 ZINC000876976838 643090642 /nfs/dbraw/zinc/09/06/42/643090642.db2.gz RGAHLASZZNSIBE-ZFWWWQNUSA-N 0 3 292.810 2.645 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000876981535 643091457 /nfs/dbraw/zinc/09/14/57/643091457.db2.gz UPJVGTMHYVGXCX-XQQFMLRXSA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@]1(c2ccccc2)CC1(C)C ZINC000876980127 643091616 /nfs/dbraw/zinc/09/16/16/643091616.db2.gz XLTDJKOSKHSGFA-CZUORRHYSA-N 0 3 292.810 2.898 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC000876984487 643091879 /nfs/dbraw/zinc/09/18/79/643091879.db2.gz HODNBVSMDQJOAT-OCCSQVGLSA-N 0 3 293.798 2.523 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000876990863 643096375 /nfs/dbraw/zinc/09/63/75/643096375.db2.gz OSTPPZAHNGMWIJ-AWEZNQCLSA-N 0 3 284.831 2.789 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)CCC1(C)C ZINC000876994947 643097493 /nfs/dbraw/zinc/09/74/93/643097493.db2.gz PGOFDNACZYLYFT-LLVKDONJSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)C(F)(F)CC ZINC000877031811 643111124 /nfs/dbraw/zinc/11/11/24/643111124.db2.gz BWSJVGRUPLYCGA-VIFPVBQESA-N 0 3 282.762 2.644 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cnc1Cl)c1ccncc1 ZINC000877075286 643137533 /nfs/dbraw/zinc/13/75/33/643137533.db2.gz LPFPCKMOSGPRBC-NSHDSACASA-N 0 3 286.766 2.895 20 30 CFEDHN COCCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877077237 643138132 /nfs/dbraw/zinc/13/81/32/643138132.db2.gz ZWNKWPDBTRRMJG-UHFFFAOYSA-N 0 3 267.760 2.511 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC000877092380 643148857 /nfs/dbraw/zinc/14/88/57/643148857.db2.gz AUIYWBNQBKUADO-STQMWFEESA-N 0 3 299.201 2.913 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C/C=C\C)C1 ZINC000877118705 643159728 /nfs/dbraw/zinc/15/97/28/643159728.db2.gz KJZOXWGMJRSMOE-LDIIPZEWSA-N 0 3 270.804 2.661 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000877122316 643161857 /nfs/dbraw/zinc/16/18/57/643161857.db2.gz PFOOOWMDFYXWFU-RBSFLKMASA-N 0 3 292.810 2.909 20 30 CFEDHN COC1(C)CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877170284 643187693 /nfs/dbraw/zinc/18/76/93/643187693.db2.gz LYDFBTUALNLXQI-UHFFFAOYSA-N 0 3 287.407 2.625 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1cncc(C)c1 ZINC000877270168 643217926 /nfs/dbraw/zinc/21/79/26/643217926.db2.gz FKIRVHQRSBIWTA-UONOGXRCSA-N 0 3 293.798 2.523 20 30 CFEDHN CC[C@@H](CC#N)NCC(C)(C)CNC(=O)OC(C)(C)C ZINC000877363790 643247791 /nfs/dbraw/zinc/24/77/91/643247791.db2.gz HXSSZBMRJUHFRW-LBPRGKRZSA-N 0 3 283.416 2.819 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000877375344 643249718 /nfs/dbraw/zinc/24/97/18/643249718.db2.gz RMTDWFZTTLTOMC-KBPBESRZSA-N 0 3 291.782 2.654 20 30 CFEDHN C=CCN(C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC000877426091 643266082 /nfs/dbraw/zinc/26/60/82/643266082.db2.gz JSOHGWWDMHJLAV-SNVBAGLBSA-N 0 3 296.333 2.950 20 30 CFEDHN CC(C)C1CN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877486919 643301971 /nfs/dbraw/zinc/30/19/71/643301971.db2.gz NYHOTGCQVPSNIZ-UHFFFAOYSA-N 0 3 257.381 2.712 20 30 CFEDHN C#C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000877513392 643319562 /nfs/dbraw/zinc/31/95/62/643319562.db2.gz UPENJCFILFMKAN-KRWDZBQOSA-N 0 3 284.403 2.670 20 30 CFEDHN C#C[C@@H](NCc1ccc2nccnc2c1)C(C)(C)C ZINC000877533614 643336331 /nfs/dbraw/zinc/33/63/31/643336331.db2.gz TWOASXGPHQLKEF-OAHLLOKOSA-N 0 3 253.349 2.767 20 30 CFEDHN CC1(C)CCC[C@@]1(O)CNCc1cc(C#N)cnc1Cl ZINC000877551640 643352206 /nfs/dbraw/zinc/35/22/06/643352206.db2.gz IHUJAHIMOXGXHN-OAHLLOKOSA-N 0 3 293.798 2.637 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2cccc(CC3CCC3)c2)C1 ZINC000877606154 643393514 /nfs/dbraw/zinc/39/35/14/643393514.db2.gz QZGKGPZYCSSYOU-GOSISDBHSA-N 0 3 284.403 2.880 20 30 CFEDHN Cn1cc(C(F)F)c(CNC2CCC(C#N)CC2)n1 ZINC000877733220 643493119 /nfs/dbraw/zinc/49/31/19/643493119.db2.gz PHVYQFBTSRLWNO-UHFFFAOYSA-N 0 3 268.311 2.530 20 30 CFEDHN N#Cc1cnc(Cl)c(CN2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000877737846 643499629 /nfs/dbraw/zinc/49/96/29/643499629.db2.gz LIVSZWVZBKSYBX-DGCLKSJQSA-N 0 3 293.823 2.792 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000877738261 643501725 /nfs/dbraw/zinc/50/17/25/643501725.db2.gz NCTJNTPVTXNMGC-CABCVRRESA-N 0 3 258.390 2.743 20 30 CFEDHN Cc1cc(CN2CCC(C(C)(C)O)CC2)ccc1C#N ZINC000877754251 643533991 /nfs/dbraw/zinc/53/39/91/643533991.db2.gz ZWBYXBMMRRHOEX-UHFFFAOYSA-N 0 3 272.392 2.850 20 30 CFEDHN Cc1cccc([O-])c1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000877767119 643545926 /nfs/dbraw/zinc/54/59/26/643545926.db2.gz WJNIALSKSHVTGN-INIZCTEOSA-N 0 3 278.355 2.829 20 30 CFEDHN C#CCOc1ccccc1CN(C)C[C@H]1CCCC[C@H]1O ZINC000246035860 650848781 /nfs/dbraw/zinc/84/87/81/650848781.db2.gz WMXIZCLSXOBZOZ-NVXWUHKLSA-N 0 3 287.403 2.682 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000877935390 643652690 /nfs/dbraw/zinc/65/26/90/643652690.db2.gz KLXBVHZBSBSHPW-INIZCTEOSA-N 0 3 288.435 2.878 20 30 CFEDHN C#CCCCCCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000878032885 643703407 /nfs/dbraw/zinc/70/34/07/643703407.db2.gz UMGVCJYEGUSPRG-QGZVFWFLSA-N 0 3 284.403 2.743 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2ncnc3sccc32)CC1 ZINC000878207730 643794551 /nfs/dbraw/zinc/79/45/51/643794551.db2.gz WRPOTQNSDQPBGL-LBPRGKRZSA-N 0 3 288.420 2.778 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2ncc(C)s2)CC1 ZINC000878249682 643807232 /nfs/dbraw/zinc/80/72/32/643807232.db2.gz SWOUMUJHWNVXMF-NSHDSACASA-N 0 3 251.399 2.538 20 30 CFEDHN C#CCCCCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000878461545 643903515 /nfs/dbraw/zinc/90/35/15/643903515.db2.gz CEZNSDKUQODEHH-UHFFFAOYSA-N 0 3 286.423 2.603 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@H]2CCCC2(F)F)C1=O ZINC000878550063 643938409 /nfs/dbraw/zinc/93/84/09/643938409.db2.gz OTKGKXQVDGPKSI-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CC[C@H](C)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000878664620 643982881 /nfs/dbraw/zinc/98/28/81/643982881.db2.gz AINNRYNYHVQVSM-CWRNSKLLSA-N 0 3 263.356 2.751 20 30 CFEDHN C#CCCCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000878665700 643983425 /nfs/dbraw/zinc/98/34/25/643983425.db2.gz LLUGRKGXJHXCOL-ZWKOTPCHSA-N 0 3 289.394 2.980 20 30 CFEDHN COC(=O)C1(C#N)CCN(C[C@H](C)CC(C)(C)C)CC1 ZINC000878675871 643987245 /nfs/dbraw/zinc/98/72/45/643987245.db2.gz LRHGLMUEQOMQFX-CYBMUJFWSA-N 0 3 280.412 2.837 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878886353 644061149 /nfs/dbraw/zinc/06/11/49/644061149.db2.gz GZLJQJITMCHZSQ-HZPDHXFCSA-N 0 3 292.423 2.588 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879223119 644181398 /nfs/dbraw/zinc/18/13/98/644181398.db2.gz LZIOSIODNRHNLC-NEPJUHHUSA-N 0 3 254.374 2.550 20 30 CFEDHN Cc1cnc([C@@H](C)N(C)CCc2cccc(C#N)c2)cn1 ZINC000879432122 644269634 /nfs/dbraw/zinc/26/96/34/644269634.db2.gz CMVITXWXKHQSKK-CQSZACIVSA-N 0 3 280.375 2.892 20 30 CFEDHN Cc1noc(C)c1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000092332385 650918623 /nfs/dbraw/zinc/91/86/23/650918623.db2.gz GXEXNOMBSKVVNB-ZUZCIYMTSA-N 0 3 285.347 2.547 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@@H](O)CC(C)(C)C1 ZINC000879623139 644351840 /nfs/dbraw/zinc/35/18/40/644351840.db2.gz SGKFSYVNIRFZGY-DOMZBBRYSA-N 0 3 258.365 2.712 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651655 644364747 /nfs/dbraw/zinc/36/47/47/644364747.db2.gz FOWQPGFNDPSAOS-KBPBESRZSA-N 0 3 290.407 2.856 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2Cc3cccnc3N3CCC[C@H]3C2)C1 ZINC000879692398 644383940 /nfs/dbraw/zinc/38/39/40/644383940.db2.gz ULJOKCVTTLODGH-BMFZPTHFSA-N 0 3 282.391 2.558 20 30 CFEDHN C=CCN1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879751781 644411941 /nfs/dbraw/zinc/41/19/41/644411941.db2.gz IHWWFPGDPCIWHA-QWHCGFSZSA-N 0 3 266.385 2.646 20 30 CFEDHN C=CCCCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000880050240 644514115 /nfs/dbraw/zinc/51/41/15/644514115.db2.gz LLOUOLPZLHESGQ-NSHDSACASA-N 0 3 251.292 2.996 20 30 CFEDHN C[C@@H]1CN(CCCSCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059291 644516582 /nfs/dbraw/zinc/51/65/82/644516582.db2.gz IJZQLHLQSRYABZ-MNOVXSKESA-N 0 3 296.358 2.675 20 30 CFEDHN C[C@@H](C#N)OCCN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880103572 644533651 /nfs/dbraw/zinc/53/36/51/644533651.db2.gz SONXNPSOIUTNBB-UWVGGRQHSA-N 0 3 287.285 2.680 20 30 CFEDHN C[C@H](NCCOCCC#N)c1ccc(C(F)(F)F)nc1 ZINC000880102559 644533668 /nfs/dbraw/zinc/53/36/68/644533668.db2.gz HIHXEVGBCSHOOY-JTQLQIEISA-N 0 3 287.285 2.681 20 30 CFEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880103573 644534140 /nfs/dbraw/zinc/53/41/40/644534140.db2.gz SONXNPSOIUTNBB-ZJUUUORDSA-N 0 3 287.285 2.680 20 30 CFEDHN C[C@@]12CN(C[C@@H](C#N)CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000957082954 650935516 /nfs/dbraw/zinc/93/55/16/650935516.db2.gz PTAIYSOHKZFOKD-OWYFMNJBSA-N 0 3 257.381 2.798 20 30 CFEDHN CCCCCCCCN1CCOC[C@@H]1C[C@H](C)O ZINC000248610166 650940378 /nfs/dbraw/zinc/94/03/78/650940378.db2.gz FUBHRDXTYUOGGC-GJZGRUSLSA-N 0 3 257.418 2.819 20 30 CFEDHN C=CCCC[C@H](NCC(=O)N(C)OC)c1ccccc1 ZINC000880390236 644685390 /nfs/dbraw/zinc/68/53/90/644685390.db2.gz PITLTKUDAYHMKG-HNNXBMFYSA-N 0 3 276.380 2.693 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000880479461 644731317 /nfs/dbraw/zinc/73/13/17/644731317.db2.gz VEOJIRPMFAFKMT-UHFFFAOYSA-N 0 3 298.361 2.724 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN(C)CCOCC2CC2)cc1 ZINC000093818537 650946897 /nfs/dbraw/zinc/94/68/97/650946897.db2.gz IHKWDSWFVHGRQA-CQSZACIVSA-N 0 3 288.391 2.836 20 30 CFEDHN N#CCC[C@H](C#N)CN1CCCC[C@@H](C2CCOCC2)C1 ZINC000880575250 644772243 /nfs/dbraw/zinc/77/22/43/644772243.db2.gz WQQYUGOIXKENLE-NVXWUHKLSA-N 0 3 289.423 2.959 20 30 CFEDHN CCO[C@@H]1C[C@H](NC[C@H](C)C#N)C12CCCCC2 ZINC000250529184 650975162 /nfs/dbraw/zinc/97/51/62/650975162.db2.gz RLBXISSFRSJRGG-HZSPNIEDSA-N 0 3 250.386 2.864 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccccc1N1CCCCC1 ZINC000883158223 645631812 /nfs/dbraw/zinc/63/18/12/645631812.db2.gz YGXJTCQODNCMRP-KRWDZBQOSA-N 0 3 286.419 2.541 20 30 CFEDHN C=CCCSCCNCc1c2c(nn1C)CCSC2 ZINC000883166957 645635465 /nfs/dbraw/zinc/63/54/65/645635465.db2.gz MQCAOXXUSMNSHM-UHFFFAOYSA-N 0 3 297.493 2.608 20 30 CFEDHN C=CCC[C@@H](NCc1cccnc1OC)[C@@H]1CCCO1 ZINC000883171230 645638604 /nfs/dbraw/zinc/63/86/04/645638604.db2.gz RXIRKEWZDRXERZ-CABCVRRESA-N 0 3 276.380 2.694 20 30 CFEDHN C=CCC[C@@H](NCc1cc[nH]n1)[C@H]1Cc2ccccc2O1 ZINC000883187419 645649502 /nfs/dbraw/zinc/64/95/02/645649502.db2.gz NQPVETDQUOMPJK-NVXWUHKLSA-N 0 3 283.375 2.838 20 30 CFEDHN CC(C)c1c[nH]c(CN[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000883199462 645659619 /nfs/dbraw/zinc/65/96/19/645659619.db2.gz FOTJCGZNHPYBSP-OAHLLOKOSA-N 0 3 280.375 2.662 20 30 CFEDHN C=CCC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CCCO1 ZINC000883226684 645677046 /nfs/dbraw/zinc/67/70/46/645677046.db2.gz CXBXMASXHQFODM-BARDWOONSA-N 0 3 275.396 2.992 20 30 CFEDHN N#Cc1csc(CNCC[C@@H]2CCCC2(F)F)n1 ZINC000883264677 645708956 /nfs/dbraw/zinc/70/89/56/645708956.db2.gz HMTQABKMARSXHY-VIFPVBQESA-N 0 3 271.336 2.930 20 30 CFEDHN C[C@]1(CNCc2ccc(C#N)o2)OCCc2ccccc21 ZINC000883340631 645750785 /nfs/dbraw/zinc/75/07/85/645750785.db2.gz VLTNGRPGSLQCNS-QGZVFWFLSA-N 0 3 282.343 2.729 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H](Cn2ccnc2)c2ccccc2)C1 ZINC000883387930 645785413 /nfs/dbraw/zinc/78/54/13/645785413.db2.gz ILMKMFIAAYLQCB-DJIMGWMZSA-N 0 3 280.375 2.906 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1nc2ccccc2n1C ZINC000883390845 645789371 /nfs/dbraw/zinc/78/93/71/645789371.db2.gz WAWCQLZMOXBECO-QWHCGFSZSA-N 0 3 273.380 2.551 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000883391184 645790029 /nfs/dbraw/zinc/79/00/29/645790029.db2.gz FCWHSWUCQHMNAR-VXGBXAGGSA-N 0 3 266.772 2.639 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000883391814 645791577 /nfs/dbraw/zinc/79/15/77/645791577.db2.gz SDGUPKKPTRJHGE-CMPLNLGQSA-N 0 3 299.212 2.822 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cccc(OC2CC2)c1F ZINC000883399674 645795122 /nfs/dbraw/zinc/79/51/22/645795122.db2.gz SUUFRLRLZJFEKR-CYBMUJFWSA-N 0 3 279.355 2.784 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cnn(-c2ccccc2C)c1 ZINC000883400359 645796280 /nfs/dbraw/zinc/79/62/80/645796280.db2.gz KELNAWBZFPVNMO-INIZCTEOSA-N 0 3 285.391 2.597 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1ccc(F)cc1Cl ZINC000883401011 645797284 /nfs/dbraw/zinc/79/72/84/645797284.db2.gz ZSIVMYVIVLXGMB-LBPRGKRZSA-N 0 3 257.736 2.896 20 30 CFEDHN CCCc1ccc(NC(=O)C2CC3(C2)CNC[C@@H]3C#N)cc1 ZINC000884056277 646167041 /nfs/dbraw/zinc/16/70/41/646167041.db2.gz RKOBBGHVKYARGQ-CSLYMUCUSA-N 0 3 297.402 2.717 20 30 CFEDHN CC(C)CCN(CCC#N)C[C@@H]1C[C@]12CCOC2 ZINC000886030907 646829931 /nfs/dbraw/zinc/82/99/31/646829931.db2.gz XJPIOVNAXGNZKZ-GJZGRUSLSA-N 0 3 250.386 2.675 20 30 CFEDHN C#CCN1CCC[C@@H](NCc2sccc2Cl)C1 ZINC000886211091 646923202 /nfs/dbraw/zinc/92/32/02/646923202.db2.gz JCDAHWZAEHRSJH-LLVKDONJSA-N 0 3 268.813 2.589 20 30 CFEDHN CCN(Cc1occc1C)C[C@H](O)CC1(C#N)CCC1 ZINC000886247173 646935925 /nfs/dbraw/zinc/93/59/25/646935925.db2.gz JPLHJTYZHHYRAV-CQSZACIVSA-N 0 3 276.380 2.855 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354031 646982920 /nfs/dbraw/zinc/98/29/20/646982920.db2.gz UWRGLWIDDDJSML-JKSUJKDBSA-N 0 3 296.414 2.700 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353824 646983155 /nfs/dbraw/zinc/98/31/55/646983155.db2.gz QSECHELDNCRTQP-CVEARBPZSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000886355356 646984405 /nfs/dbraw/zinc/98/44/05/646984405.db2.gz HEWTVHVCWOVACK-CRAIPNDOSA-N 0 3 296.414 2.525 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000886355785 646984564 /nfs/dbraw/zinc/98/45/64/646984564.db2.gz NOPPOHQICVMSBA-JKSUJKDBSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000886361646 646988008 /nfs/dbraw/zinc/98/80/08/646988008.db2.gz QCXQTIAIAWKKPT-HNAYVOBHSA-N 0 3 296.414 2.599 20 30 CFEDHN C#CCC1(NCc2cccc(F)c2F)CCOCC1 ZINC000886381655 646993842 /nfs/dbraw/zinc/99/38/42/646993842.db2.gz MKUGRZXGBMLTNO-UHFFFAOYSA-N 0 3 265.303 2.627 20 30 CFEDHN N#Cc1c(CN2C[C@@H]3CSC[C@@H]3C2)cn2ccccc12 ZINC000886556586 647046251 /nfs/dbraw/zinc/04/62/51/647046251.db2.gz FYORALKQMXDVGT-OKILXGFUSA-N 0 3 283.400 2.606 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CCC[C@H]1CCC)C1CCN(C)CC1 ZINC000886575945 647052220 /nfs/dbraw/zinc/05/22/20/647052220.db2.gz PYBWMJGUFGKBSS-NVXWUHKLSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)C1CCN(C)CC1 ZINC000886576154 647052564 /nfs/dbraw/zinc/05/25/64/647052564.db2.gz YOHWQXOFBORHSG-HRCADAONSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN(C(=O)C[C@H]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000886582441 647053877 /nfs/dbraw/zinc/05/38/77/647053877.db2.gz UWYFVVMKNZQFNF-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)CCCC1CCCC1)C1CCN(C)CC1 ZINC000886581261 647053908 /nfs/dbraw/zinc/05/39/08/647053908.db2.gz PTERCMSIKFBKFM-UHFFFAOYSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@@H](N[C@@H](C)c2ccc(CC)o2)C1 ZINC000886661314 647095008 /nfs/dbraw/zinc/09/50/08/647095008.db2.gz RIBDSGDNILTTQO-UONOGXRCSA-N 0 3 260.381 2.590 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886753096 647126215 /nfs/dbraw/zinc/12/62/15/647126215.db2.gz AVIIEZCQZLSHLU-JTQLQIEISA-N 0 3 254.403 2.502 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886753097 647126492 /nfs/dbraw/zinc/12/64/92/647126492.db2.gz AVIIEZCQZLSHLU-SNVBAGLBSA-N 0 3 254.403 2.502 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821827 647152023 /nfs/dbraw/zinc/15/20/23/647152023.db2.gz IBNCODJIMDNDBR-JKSUJKDBSA-N 0 3 256.349 2.559 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)s1 ZINC000886819669 647152484 /nfs/dbraw/zinc/15/24/84/647152484.db2.gz VKAKNWPHQQLTGJ-BXUZGUMPSA-N 0 3 262.378 2.621 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)cc1F ZINC000886822238 647153422 /nfs/dbraw/zinc/15/34/22/647153422.db2.gz OBBYKUKCFRHFBG-HOCLYGCPSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)cc1F ZINC000886822236 647153515 /nfs/dbraw/zinc/15/35/15/647153515.db2.gz OBBYKUKCFRHFBG-GDBMZVCRSA-N 0 3 274.339 2.698 20 30 CFEDHN COc1ccc(CN[C@H](C)C2(Cl)CC2)cc1C#N ZINC000925582205 648226760 /nfs/dbraw/zinc/22/67/60/648226760.db2.gz CGYQGRUBYSRMKF-SNVBAGLBSA-N 0 3 264.756 2.816 20 30 CFEDHN CC[C@H](NCc1cc(N)ccn1)c1ccc(C#N)cc1 ZINC000925766274 648312121 /nfs/dbraw/zinc/31/21/21/648312121.db2.gz IQEZPDYUPZCNER-INIZCTEOSA-N 0 3 266.348 2.776 20 30 CFEDHN CCn1nc(C)c([C@H](C)NCC(C)(C)CCC#N)n1 ZINC000926426451 648483997 /nfs/dbraw/zinc/48/39/97/648483997.db2.gz FHLWXSFOFHLKCY-NSHDSACASA-N 0 3 263.389 2.587 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc(S(C)(=O)=O)c1 ZINC000926520110 648517633 /nfs/dbraw/zinc/51/76/33/648517633.db2.gz KZLKINJKCKVULF-LBPRGKRZSA-N 0 3 294.420 2.508 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc2c1OCO2 ZINC000926613260 648551522 /nfs/dbraw/zinc/55/15/22/648551522.db2.gz CJSVNXZQKYAHLN-SDDRHHMPSA-N 0 3 258.321 2.758 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1N[C@H](C)c1cc(CO)on1 ZINC000926676387 648571554 /nfs/dbraw/zinc/57/15/54/648571554.db2.gz LLOHDJRHQJINHZ-BZPMIXESSA-N 0 3 264.369 2.952 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cccc(Br)n1 ZINC000926865822 648638721 /nfs/dbraw/zinc/63/87/21/648638721.db2.gz UCKNVYSVCGWNNU-QWRGUYRKSA-N 0 3 299.212 2.822 20 30 CFEDHN C#CCN(C[C@@H]1CCC2(COC2)O1)[C@H]1CCc2ccccc21 ZINC000929333243 649032844 /nfs/dbraw/zinc/03/28/44/649032844.db2.gz FXMTZAZKZMQHRB-WMZOPIPTSA-N 0 3 297.398 2.557 20 30 CFEDHN CCCN(CC(=O)OCC)CC1CCC(C#N)CC1 ZINC000929360337 649038223 /nfs/dbraw/zinc/03/82/23/649038223.db2.gz OOGIYFOHIWUNEV-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN CC(C)(NC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 ZINC000929501092 649062105 /nfs/dbraw/zinc/06/21/05/649062105.db2.gz JIQFRCVLNBVRNC-GFCCVEGCSA-N 0 3 286.297 2.805 20 30 CFEDHN N#Cc1cccc(OC2CCN(CCOC3CC3)CC2)c1 ZINC000929524873 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C=C[C@@](C)(CC)C(=O)NC[C@@H](C)NCc1cncc(C)c1 ZINC001266968745 770777565 /nfs/dbraw/zinc/77/75/65/770777565.db2.gz VAKFYECKLPUXPR-PBHICJAKSA-N 0 3 289.423 2.587 20 30 CFEDHN CC#CCN[C@@H](C)CNC(=O)c1ccc2sccc2c1 ZINC001266984426 770789181 /nfs/dbraw/zinc/78/91/81/770789181.db2.gz UZIGQJZXPAPUHE-LBPRGKRZSA-N 0 3 286.400 2.633 20 30 CFEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC001267114840 770914927 /nfs/dbraw/zinc/91/49/27/770914927.db2.gz MOPXPZGKSJASQV-INIZCTEOSA-N 0 3 278.440 2.903 20 30 CFEDHN C=C/C(C)=C\CC(=O)NCC1CC(NCC(=C)Cl)C1 ZINC001100582074 770917953 /nfs/dbraw/zinc/91/79/53/770917953.db2.gz VPTDERFHWPVQBW-WZUFQYTHSA-N 0 3 282.815 2.746 20 30 CFEDHN CC#CCN1CC=C(CCNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001161397650 770987638 /nfs/dbraw/zinc/98/76/38/770987638.db2.gz CNINCSYKHGUQJO-NVXWUHKLSA-N 0 3 288.435 2.584 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1csc(Cl)c1 ZINC001267220429 773220552 /nfs/dbraw/zinc/22/05/52/773220552.db2.gz SCVKBSRVRBGELE-UHFFFAOYSA-N 0 3 272.801 2.639 20 30 CFEDHN C#CCCN(C)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001267228987 773230913 /nfs/dbraw/zinc/23/09/13/773230913.db2.gz CVEKFBJTXQGSMO-UHFFFAOYSA-N 0 3 286.419 2.570 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)CC(C)(C)C ZINC001167664443 773248416 /nfs/dbraw/zinc/24/84/16/773248416.db2.gz OLAJDFMGROLJKV-NSHDSACASA-N 0 3 274.836 2.907 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1scc(C)c1Cl ZINC001267242071 773251209 /nfs/dbraw/zinc/25/12/09/773251209.db2.gz VPTFYVUQWRKZSR-UHFFFAOYSA-N 0 3 286.828 2.948 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN(CC)C[C@H]1CC[C@H](C)O1 ZINC001267247301 773257737 /nfs/dbraw/zinc/25/77/37/773257737.db2.gz HRCSCBMSLUFEGP-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)CC(C)(C)CC ZINC001267268010 775127693 /nfs/dbraw/zinc/12/76/93/775127693.db2.gz VEMMBDRKUOWNKM-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1CCOC(C)C ZINC001267276256 775141190 /nfs/dbraw/zinc/14/11/90/775141190.db2.gz ODJSAIZIYIWOCW-NVXWUHKLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001267281120 775147571 /nfs/dbraw/zinc/14/75/71/775147571.db2.gz YHEVTLTVRFMPKD-GFCCVEGCSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCCC(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001267287253 775155948 /nfs/dbraw/zinc/15/59/48/775155948.db2.gz GJFVADZTYYCIGI-OAHLLOKOSA-N 0 3 290.382 2.730 20 30 CFEDHN CC#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042075267 775162450 /nfs/dbraw/zinc/16/24/50/775162450.db2.gz BLROYEGWNFMNQR-HZPDHXFCSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)C[C@H](C)CCCCC)C1 ZINC001267303322 775176008 /nfs/dbraw/zinc/17/60/08/775176008.db2.gz LULBAHDBHBWPBX-HZPDHXFCSA-N 0 3 278.440 2.664 20 30 CFEDHN C=CCC1(C(=O)NCC2CCN(CC#CC)CC2)CCC1 ZINC001224409732 775177486 /nfs/dbraw/zinc/17/74/86/775177486.db2.gz KIXCNKBJUWBRJM-UHFFFAOYSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCCN[C@H](CNC(=O)C[C@@H](C)CC)c1ccccc1 ZINC001267357196 775242855 /nfs/dbraw/zinc/24/28/55/775242855.db2.gz LFDROMKFNUCXSM-DOTOQJQBSA-N 0 3 286.419 2.893 20 30 CFEDHN C=CCN[C@H](CNC(=O)CCc1ccoc1)c1ccccc1 ZINC001267357218 775244440 /nfs/dbraw/zinc/24/44/40/775244440.db2.gz LJYPWFZNDXLZRA-QGZVFWFLSA-N 0 3 298.386 2.845 20 30 CFEDHN C=C(C)CN[C@H](CNC(=O)/C(C)=C\C)c1ccccc1 ZINC001267357582 775245349 /nfs/dbraw/zinc/24/53/49/775245349.db2.gz PUIZKAPVVUZPQH-ZVRDQUNJSA-N 0 3 272.392 2.976 20 30 CFEDHN CN1CCCC[C@@H]1CO[C@@H](C#N)c1ccccc1F ZINC001224707804 775256533 /nfs/dbraw/zinc/25/65/33/775256533.db2.gz SZXQHZUSXAYCTO-DOMZBBRYSA-N 0 3 262.328 2.891 20 30 CFEDHN C=C(C)CN[C@H](CNC(=O)c1nocc1C)c1ccccc1 ZINC001267376955 775281837 /nfs/dbraw/zinc/28/18/37/775281837.db2.gz KLEUJJSWVNPVMS-OAHLLOKOSA-N 0 3 299.374 2.620 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC ZINC001224861501 775292611 /nfs/dbraw/zinc/29/26/11/775292611.db2.gz UYIVDWVEHAGHFR-RAIGVLPGSA-N 0 3 272.820 2.802 20 30 CFEDHN C#CCN1CCC(CNC(=O)C(CC)(CC)CC)CC1 ZINC001224957077 775317727 /nfs/dbraw/zinc/31/77/27/775317727.db2.gz BVLIAHICIKAWSS-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)CCNCc1scnc1C ZINC001267424501 775323046 /nfs/dbraw/zinc/32/30/46/775323046.db2.gz RMGLOTBONUVKSH-OAHLLOKOSA-N 0 3 295.452 2.602 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)CSC)C1 ZINC001267454416 775332191 /nfs/dbraw/zinc/33/21/91/775332191.db2.gz NKIGJLKDUWPSSE-LSDHHAIUSA-N 0 3 298.496 2.875 20 30 CFEDHN C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccccc1 ZINC001087266085 775351769 /nfs/dbraw/zinc/35/17/69/775351769.db2.gz GISFKKFXVFQQHT-IXDOHACOSA-N 0 3 296.414 2.539 20 30 CFEDHN C#CCN1CCC[C@@H]2[C@H](NC(=O)c3ccccc3)C(C)(C)[C@H]21 ZINC001087266084 775352311 /nfs/dbraw/zinc/35/23/11/775352311.db2.gz GISFKKFXVFQQHT-IKGGRYGDSA-N 0 3 296.414 2.539 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H](CC)CC(C)C)CC1 ZINC001225110103 775352875 /nfs/dbraw/zinc/35/28/75/775352875.db2.gz NXIBESMPNQGNOW-QGZVFWFLSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001075498027 775387358 /nfs/dbraw/zinc/38/73/58/775387358.db2.gz RMBMCBHQTKPSRA-XJKSGUPXSA-N 0 3 288.366 2.548 20 30 CFEDHN C=CCN[C@H](CNC(=O)c1ccco1)c1ccccc1 ZINC001267516981 775409182 /nfs/dbraw/zinc/40/91/82/775409182.db2.gz IGQUVIILZOKWOE-CQSZACIVSA-N 0 3 270.332 2.526 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001267545982 775454928 /nfs/dbraw/zinc/45/49/28/775454928.db2.gz GJRDKOWIOOLODH-HZMVEIRTSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001267547325 775458747 /nfs/dbraw/zinc/45/87/47/775458747.db2.gz WPTIHEMERXYBMI-KKUMJFAQSA-N 0 3 264.413 2.531 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C(C)(CC)CC)CC1 ZINC001225500537 775483363 /nfs/dbraw/zinc/48/33/63/775483363.db2.gz WUYCIKWGUIQDRU-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001075510708 775493261 /nfs/dbraw/zinc/49/32/61/775493261.db2.gz YXBWDDCRPKCCKM-GOEBONIOSA-N 0 3 288.366 2.548 20 30 CFEDHN Cc1cc(C#N)c(O[C@@H]2CCCN(C(C)C)C2)nc1C ZINC001225530315 775493888 /nfs/dbraw/zinc/49/38/88/775493888.db2.gz HPWCVGCCUTXZOG-OAHLLOKOSA-N 0 3 273.380 2.822 20 30 CFEDHN N#Cc1c2ccccc2cnc1-n1nc(CN)c2ccccc21 ZINC001167695997 775509301 /nfs/dbraw/zinc/50/93/01/775509301.db2.gz UWHHSIZOQWOIGW-UHFFFAOYSA-N 0 3 299.337 2.904 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCCO1 ZINC000122105604 775513855 /nfs/dbraw/zinc/51/38/55/775513855.db2.gz MTPFXZMADSHIRI-QWHCGFSZSA-N 0 3 297.358 2.709 20 30 CFEDHN NCc1nn(-c2ccc3c(c2)CC/C3=N/O)c2ccccc12 ZINC001167701889 775538671 /nfs/dbraw/zinc/53/86/71/775538671.db2.gz WVJHPESYBKZCIE-HKWRFOASSA-N 0 3 292.342 2.609 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001025187691 775561453 /nfs/dbraw/zinc/56/14/53/775561453.db2.gz BXNFCKOQUGNSIL-IRXDYDNUSA-N 0 3 288.435 2.655 20 30 CFEDHN CN1CCC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698614 775562258 /nfs/dbraw/zinc/56/22/58/775562258.db2.gz VSDHADGTYWHXQF-GFCCVEGCSA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001025192136 775563155 /nfs/dbraw/zinc/56/31/55/775563155.db2.gz OSRDUBQWIZLANI-ZWKOTPCHSA-N 0 3 296.414 2.779 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220557 775575642 /nfs/dbraw/zinc/57/56/42/775575642.db2.gz HMSMAYAPKLKZQI-DLBZAZTESA-N 0 3 286.419 2.575 20 30 CFEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C)C1 ZINC001025313724 775595938 /nfs/dbraw/zinc/59/59/38/775595938.db2.gz RUGXJCYVPKTVQB-IRXDYDNUSA-N 0 3 298.430 2.849 20 30 CFEDHN N#Cc1c(F)cccc1OC1CCN(C2CC2)CC1 ZINC001225973602 775653082 /nfs/dbraw/zinc/65/30/82/775653082.db2.gz MEQGHQWZUOGAPT-UHFFFAOYSA-N 0 3 260.312 2.703 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1C ZINC001104702686 775660363 /nfs/dbraw/zinc/66/03/63/775660363.db2.gz BFWLLJPFSHKLRY-NMFUWQPSSA-N 0 3 298.858 2.859 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H]2CC23CC3)C[C@H]1C ZINC001104724280 775668073 /nfs/dbraw/zinc/66/80/73/775668073.db2.gz OPNNJSQAFIVHGY-MRVWCRGKSA-N 0 3 296.842 2.613 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603289 775706191 /nfs/dbraw/zinc/70/61/91/775706191.db2.gz TUAHVHQMNCCVPQ-QBPKDAKJSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001025623696 775714918 /nfs/dbraw/zinc/71/49/18/775714918.db2.gz HEYLXVJDTGHGTE-DOTOQJQBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCCCC(=O)N1CC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001267637527 775724444 /nfs/dbraw/zinc/72/44/44/775724444.db2.gz FEFMKKLWUIXUFJ-VSGCLNPGSA-N 0 3 296.842 2.713 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc3cccc(O)c3n2)C1 ZINC001141022191 775781766 /nfs/dbraw/zinc/78/17/66/775781766.db2.gz PIAJIOHTBHPIGB-ZDUSSCGKSA-N 0 3 266.344 2.786 20 30 CFEDHN C#CCCN1CC(CNC(=O)C[C@H](C)c2ccccc2C)C1 ZINC001267694134 775782418 /nfs/dbraw/zinc/78/24/18/775782418.db2.gz BQFFIDBKBCVPDU-INIZCTEOSA-N 0 3 298.430 2.560 20 30 CFEDHN C#C[C@](C)(CC)NCc1cc2ccccc2[nH]c1=O ZINC000395214436 775802954 /nfs/dbraw/zinc/80/29/54/775802954.db2.gz LQKKEGNLOBJJPP-MRXNPFEDSA-N 0 3 254.333 2.832 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001267726366 775818433 /nfs/dbraw/zinc/81/84/33/775818433.db2.gz DNCGTPAUPRMZPQ-HNNXBMFYSA-N 0 3 276.424 2.561 20 30 CFEDHN C=CCCC(=O)NC1CCN(CCOCCC(C)C)CC1 ZINC001226518641 775857028 /nfs/dbraw/zinc/85/70/28/775857028.db2.gz JQUIDFNKKGDAHS-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCCN1CC[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001267761057 775889709 /nfs/dbraw/zinc/88/97/09/775889709.db2.gz AISSPUZWINFEKN-GFCCVEGCSA-N 0 3 296.411 3.000 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001267762136 775890298 /nfs/dbraw/zinc/89/02/98/775890298.db2.gz DIEXNZPJVUWKBP-CHWSQXEVSA-N 0 3 293.436 2.644 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001267769874 775905327 /nfs/dbraw/zinc/90/53/27/775905327.db2.gz DLPJKEYXFZSLTD-LBPRGKRZSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267794888 775936725 /nfs/dbraw/zinc/93/67/25/775936725.db2.gz RNHDFTDBIJNEBE-UKRRQHHQSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@@H](CC)NCc1cccnc1 ZINC001267808786 775949887 /nfs/dbraw/zinc/94/98/87/775949887.db2.gz XXZSCDRPOAFNSO-OAHLLOKOSA-N 0 3 289.423 2.668 20 30 CFEDHN CCN1CCC(Oc2ccc(C#N)cc2C(C)=O)CC1 ZINC001226966670 776037248 /nfs/dbraw/zinc/03/72/48/776037248.db2.gz LPSGLRVZAPNKJR-UHFFFAOYSA-N 0 3 272.348 2.624 20 30 CFEDHN CC(=O)c1cc(C#N)ccc1O[C@@H]1[C@@H]2CCC[C@H]1CN(C)C2 ZINC001226972194 776039688 /nfs/dbraw/zinc/03/96/88/776039688.db2.gz ICEWPNMIPMFSKO-JLVBRIDZSA-N 0 3 298.386 2.870 20 30 CFEDHN CC#CCNCc1ccc(CNC(=O)C[C@H](C)CC)cc1 ZINC001267936319 776067691 /nfs/dbraw/zinc/06/76/91/776067691.db2.gz LYPAEIMUOUMGHE-OAHLLOKOSA-N 0 3 286.419 2.852 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@@H]2CCCC23CC3)cc1 ZINC001267937861 776070220 /nfs/dbraw/zinc/07/02/20/776070220.db2.gz ALTFXXDWODYNPO-KRWDZBQOSA-N 0 3 296.414 2.606 20 30 CFEDHN C=CCc1c(O)ccc(C(C)=O)c1O[C@@H]1CCCN(C)C1 ZINC001227120757 776106063 /nfs/dbraw/zinc/10/60/63/776106063.db2.gz SQDHORJFPRIMJJ-CYBMUJFWSA-N 0 3 289.375 2.796 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001042330728 776135471 /nfs/dbraw/zinc/13/54/71/776135471.db2.gz FSOCZPMPELOITR-NVXWUHKLSA-N 0 3 284.403 2.717 20 30 CFEDHN CN1CCC[C@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205573 776138080 /nfs/dbraw/zinc/13/80/80/776138080.db2.gz NOULTNYKMJETCE-LBPRGKRZSA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000686680481 776247170 /nfs/dbraw/zinc/24/71/70/776247170.db2.gz UYPWXNSGHRZBRD-UHFFFAOYSA-N 0 3 263.303 2.569 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001027287668 776282842 /nfs/dbraw/zinc/28/28/42/776282842.db2.gz OQGRTTINNKCAQQ-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN CC#CCNC1(CNC(=O)c2oc3ccccc3c2C)CC1 ZINC001277240764 776290396 /nfs/dbraw/zinc/29/03/96/776290396.db2.gz QUQBSQHYVBNJQX-UHFFFAOYSA-N 0 3 296.370 2.617 20 30 CFEDHN C=CCc1ccc(O[C@@H]2CN3CCC2CC3)c(OC)c1 ZINC001227926948 776332510 /nfs/dbraw/zinc/33/25/10/776332510.db2.gz MRQLKPITYRJNKX-QGZVFWFLSA-N 0 3 273.376 2.897 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCF ZINC001228019779 776365993 /nfs/dbraw/zinc/36/59/93/776365993.db2.gz VGNNHFBUKQGELZ-VXGBXAGGSA-N 0 3 276.783 2.506 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001027691978 776409469 /nfs/dbraw/zinc/40/94/69/776409469.db2.gz XNEVXJJETCRJHM-ZWKOTPCHSA-N 0 3 296.414 2.512 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001027691833 776409653 /nfs/dbraw/zinc/40/96/53/776409653.db2.gz VSLLOUNKDHOWCR-SFHVURJKSA-N 0 3 296.414 2.734 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027899137 776500086 /nfs/dbraw/zinc/50/00/86/776500086.db2.gz YCJHSDFJKQTEHR-INIZCTEOSA-N 0 3 296.370 2.650 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926079 776514883 /nfs/dbraw/zinc/51/48/83/776514883.db2.gz JZCPIPBSCCEVAW-QGZVFWFLSA-N 0 3 297.402 2.628 20 30 CFEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C=C1CCC1 ZINC001268057982 776523287 /nfs/dbraw/zinc/52/32/87/776523287.db2.gz UPMRVTXFQYSNFM-INIZCTEOSA-N 0 3 296.414 2.585 20 30 CFEDHN C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CC1(C)C ZINC001268060592 776527544 /nfs/dbraw/zinc/52/75/44/776527544.db2.gz GYHYPLQHULLAHL-DOTOQJQBSA-N 0 3 298.430 2.521 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963351 776529887 /nfs/dbraw/zinc/52/98/87/776529887.db2.gz KPZVHQQPKXHHQD-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038832092 776534859 /nfs/dbraw/zinc/53/48/59/776534859.db2.gz IVKVGGRCMURCCI-MRXNPFEDSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043098 776569315 /nfs/dbraw/zinc/56/93/15/776569315.db2.gz GIEABMMBASALSD-WCXIOVBPSA-N 0 3 290.451 2.969 20 30 CFEDHN CN(C)Cc1csc(CNCC(C)(C)CCC#N)n1 ZINC000722390178 776573823 /nfs/dbraw/zinc/57/38/23/776573823.db2.gz IQEDQHLBNNNBLH-UHFFFAOYSA-N 0 3 280.441 2.624 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001028090258 776609672 /nfs/dbraw/zinc/60/96/72/776609672.db2.gz SHOHBSBUHMAIAN-AWEZNQCLSA-N 0 3 289.423 2.738 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001028091659 776611479 /nfs/dbraw/zinc/61/14/79/776611479.db2.gz ZGYKXZGTTBAKCT-CYBMUJFWSA-N 0 3 275.396 2.518 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028155248 776666683 /nfs/dbraw/zinc/66/66/83/776666683.db2.gz AHFKFQULLHSLGI-QGZVFWFLSA-N 0 3 282.387 2.547 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028165240 776674053 /nfs/dbraw/zinc/67/40/53/776674053.db2.gz ROYVYVHCIUQOLU-MSOLQXFVSA-N 0 3 298.430 2.558 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028165241 776674273 /nfs/dbraw/zinc/67/42/73/776674273.db2.gz ROYVYVHCIUQOLU-QZTJIDSGSA-N 0 3 298.430 2.558 20 30 CFEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)[C@@H]1C ZINC001139726663 776681905 /nfs/dbraw/zinc/68/19/05/776681905.db2.gz YSTCVTMSTYZSAY-CJNGLKHVSA-N 0 3 286.375 2.640 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001268247597 776720738 /nfs/dbraw/zinc/72/07/38/776720738.db2.gz RKRQMFIZEVXVIQ-UHFFFAOYSA-N 0 3 280.799 2.838 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028277438 776790031 /nfs/dbraw/zinc/79/00/31/776790031.db2.gz XAFXBEUAWHIUAT-AWEZNQCLSA-N 0 3 278.783 2.720 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028277439 776790313 /nfs/dbraw/zinc/79/03/13/776790313.db2.gz XAFXBEUAWHIUAT-CQSZACIVSA-N 0 3 278.783 2.720 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccccc1OC ZINC001268418271 776796227 /nfs/dbraw/zinc/79/62/27/776796227.db2.gz WJWZDUTUHJGYFI-LBPRGKRZSA-N 0 3 296.798 2.546 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001039004479 776837286 /nfs/dbraw/zinc/83/72/86/776837286.db2.gz FVLHFJOKKDSHDS-AWEZNQCLSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028305338 776847389 /nfs/dbraw/zinc/84/73/89/776847389.db2.gz LUIMKFULVPMJNN-AWEZNQCLSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001028304213 776849126 /nfs/dbraw/zinc/84/91/26/776849126.db2.gz PPJWUXYOGCTCCS-OAHLLOKOSA-N 0 3 294.345 2.735 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001028307703 776851486 /nfs/dbraw/zinc/85/14/86/776851486.db2.gz NBECVOQESRYBBX-AWEZNQCLSA-N 0 3 290.432 2.582 20 30 CFEDHN C=C1O[C@@H](C)C(=O)C1Oc1cccc([C@@H](C)N(C)C)c1 ZINC001229627372 776858659 /nfs/dbraw/zinc/85/86/59/776858659.db2.gz PRWZADGYWYDKOC-MNOVXSKESA-N 0 3 275.348 2.907 20 30 CFEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)C1(CC)CC1 ZINC001268475890 776862560 /nfs/dbraw/zinc/86/25/60/776862560.db2.gz BYCNASNYCLPIKG-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028340488 776864195 /nfs/dbraw/zinc/86/41/95/776864195.db2.gz QVSPORQROBTMQC-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028340747 776864495 /nfs/dbraw/zinc/86/44/95/776864495.db2.gz WTAWUFALWDSOKD-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](NCCC#N)CC3 ZINC000425973156 776871875 /nfs/dbraw/zinc/87/18/75/776871875.db2.gz GKXRAOJSIGBVDV-LLVKDONJSA-N 0 3 269.348 2.537 20 30 CFEDHN Cc1cc(Cl)c(C#N)c(OC2CCN(C3CC3)CC2)n1 ZINC001230182391 776956672 /nfs/dbraw/zinc/95/66/72/776956672.db2.gz CEQHDGVSTJAPNT-UHFFFAOYSA-N 0 3 291.782 2.921 20 30 CFEDHN CC#CCNC/C=C\CNC(=O)C1(C2CCCCC2)CC1 ZINC001268618314 776998540 /nfs/dbraw/zinc/99/85/40/776998540.db2.gz NDLIZVBODTVPTE-FPLPWBNLSA-N 0 3 288.435 2.632 20 30 CFEDHN N#C[C@@H](Oc1ccc2[nH]c(N)nc2c1)c1ccccc1F ZINC001230519107 777003957 /nfs/dbraw/zinc/00/39/57/777003957.db2.gz YBTBYZPCNVFEFE-CQSZACIVSA-N 0 3 282.278 2.928 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H](C)CNCc1c(C)nsc1C ZINC001268659470 777012051 /nfs/dbraw/zinc/01/20/51/777012051.db2.gz SRAJGGAHLCRERV-SNVBAGLBSA-N 0 3 295.452 2.566 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001230621686 777028405 /nfs/dbraw/zinc/02/84/05/777028405.db2.gz QOPKCWUHUNAASN-AWEZNQCLSA-N 0 3 290.382 2.938 20 30 CFEDHN CN1CC[C@@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230633294 777031587 /nfs/dbraw/zinc/03/15/87/777031587.db2.gz SIEGREXOKSVEOH-CYBMUJFWSA-N 0 3 258.365 2.939 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)[C@](C)(CC)CCC ZINC001268749853 777044754 /nfs/dbraw/zinc/04/47/54/777044754.db2.gz BHTUESOERURCHA-DZGCQCFKSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)C[C@H](C=C)c1ccccc1 ZINC001268758613 777047161 /nfs/dbraw/zinc/04/71/61/777047161.db2.gz YCXDCPFLJBDDCC-CVEARBPZSA-N 0 3 286.419 2.969 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001268985273 777083713 /nfs/dbraw/zinc/08/37/13/777083713.db2.gz KOEUOKYYYZFWSG-UHFFFAOYSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230947782 777099095 /nfs/dbraw/zinc/09/90/95/777099095.db2.gz GVIHLHJKBGPICV-AWEZNQCLSA-N 0 3 284.469 2.629 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H](CNC[C@@H](F)CC)C1CC1 ZINC001269098787 777101055 /nfs/dbraw/zinc/10/10/55/777101055.db2.gz ATQBVCFEORDNIF-UONOGXRCSA-N 0 3 284.419 2.821 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OC ZINC001230967659 777103962 /nfs/dbraw/zinc/10/39/62/777103962.db2.gz PDSCCTGKAQBYPR-CABCVRRESA-N 0 3 284.444 2.524 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)C1 ZINC001269126175 777107657 /nfs/dbraw/zinc/10/76/57/777107657.db2.gz BQNMCSLZXOUWKP-JKSUJKDBSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001269142682 777118864 /nfs/dbraw/zinc/11/88/64/777118864.db2.gz KCNGVHOJCUSFDS-HIFRSBDPSA-N 0 3 270.392 2.671 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1occc1C ZINC001269195169 777136108 /nfs/dbraw/zinc/13/61/08/777136108.db2.gz MMGJOJSYPRNQSW-KBPBESRZSA-N 0 3 276.380 2.747 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001269220979 777142844 /nfs/dbraw/zinc/14/28/44/777142844.db2.gz DVIXWEGSZAMQNF-KGXGESDWSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001279957248 777148736 /nfs/dbraw/zinc/14/87/36/777148736.db2.gz ACRSWSZGTDAJDA-LSDHHAIUSA-N 0 3 296.842 2.923 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cscn1 ZINC001231131053 777151216 /nfs/dbraw/zinc/15/12/16/777151216.db2.gz LENIXJVPQPHWPY-CHWSQXEVSA-N 0 3 293.436 2.644 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCCC(C)C)C1 ZINC001269292112 777160928 /nfs/dbraw/zinc/16/09/28/777160928.db2.gz PBDJBGCDJOABHS-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001269293297 777161180 /nfs/dbraw/zinc/16/11/80/777161180.db2.gz WRAUSGLISHKBAN-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC/C=C/CC ZINC001231169352 777162732 /nfs/dbraw/zinc/16/27/32/777162732.db2.gz GTAHFAHHLDQQAM-VFADXPBXSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001269332008 777173166 /nfs/dbraw/zinc/17/31/66/777173166.db2.gz MMCVTVMVNNHBGB-LSDHHAIUSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C[C@H](C(=O)NC[C@@H]1CCN1CCC)c1ccccc1 ZINC001269351792 777176204 /nfs/dbraw/zinc/17/62/04/777176204.db2.gz REJIKHGONSGSTC-HOTGVXAUSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231263219 777180447 /nfs/dbraw/zinc/18/04/47/777180447.db2.gz LKCYJORKNJWJGZ-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C[C@H](C#N)C(=O)N(C)C[C@H]1CCN1CCCC1CCCC1 ZINC001231282413 777182545 /nfs/dbraw/zinc/18/25/45/777182545.db2.gz LBSWCNWUGFOVHY-GDBMZVCRSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](CC)NCCF)CCCC1 ZINC001269517720 777203400 /nfs/dbraw/zinc/20/34/00/777203400.db2.gz ZNLBMQKGPWJCAW-ZDUSSCGKSA-N 0 3 270.392 2.577 20 30 CFEDHN CC#CCNC1(CNC(=O)c2cc3cccc(C)c3o2)CC1 ZINC001269544837 777206837 /nfs/dbraw/zinc/20/68/37/777206837.db2.gz USLIUEVKJKEZEF-UHFFFAOYSA-N 0 3 296.370 2.617 20 30 CFEDHN CC#CCN1CCC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001269682044 777231244 /nfs/dbraw/zinc/23/12/44/777231244.db2.gz XFTQENIXFUKSCF-QGZVFWFLSA-N 0 3 276.424 2.514 20 30 CFEDHN C=CCCCC(=O)N(C)C1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001269844343 777257538 /nfs/dbraw/zinc/25/75/38/777257538.db2.gz ZCYOXKMSNBXPGV-OWCLPIDISA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001231621933 777281936 /nfs/dbraw/zinc/28/19/36/777281936.db2.gz MBSJQTXADPWNSZ-WBVHZDCISA-N 0 3 273.376 2.862 20 30 CFEDHN C=C(C)CCC(=O)N1CCC[C@H]1CNCc1ccns1 ZINC001270059009 777298684 /nfs/dbraw/zinc/29/86/84/777298684.db2.gz QJIDAZMFYMHFIX-ZDUSSCGKSA-N 0 3 293.436 2.580 20 30 CFEDHN CC[C@@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270171739 777323152 /nfs/dbraw/zinc/32/31/52/777323152.db2.gz NRZDVDFNYLQWBC-SJLPKXTDSA-N 0 3 298.430 2.665 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001028947993 777336747 /nfs/dbraw/zinc/33/67/47/777336747.db2.gz CVSSPGFIMQUMLC-INIZCTEOSA-N 0 3 298.430 2.885 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001028999596 777367313 /nfs/dbraw/zinc/36/73/13/777367313.db2.gz OQKPGJQDPNVTQI-HNNXBMFYSA-N 0 3 296.414 2.639 20 30 CFEDHN N#Cc1ccc2c(c1)CCN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001232012253 777411339 /nfs/dbraw/zinc/41/13/39/777411339.db2.gz XBXMCTOHJOXUEI-UHFFFAOYSA-N 0 3 288.354 2.993 20 30 CFEDHN N#Cc1ccc2c(c1)CCN(Cc1cc3cnccc3[nH]1)C2 ZINC001232012253 777411341 /nfs/dbraw/zinc/41/13/41/777411341.db2.gz XBXMCTOHJOXUEI-UHFFFAOYSA-N 0 3 288.354 2.993 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232016013 777414672 /nfs/dbraw/zinc/41/46/72/777414672.db2.gz QOCHGIPUQOZJJH-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN CCN(CCC#N)Cc1cc(F)cc(CN(C)C)c1 ZINC001232145802 777451845 /nfs/dbraw/zinc/45/18/45/777451845.db2.gz AXBFOOHBDQUCJM-UHFFFAOYSA-N 0 3 263.360 2.623 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2)[C@H]1CC ZINC001087490744 777500769 /nfs/dbraw/zinc/50/07/69/777500769.db2.gz MDAALAKGBLELCT-LSDHHAIUSA-N 0 3 276.355 2.594 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1CC ZINC001087494922 777512705 /nfs/dbraw/zinc/51/27/05/777512705.db2.gz LFPBRRHNJGINAB-DLBZAZTESA-N 0 3 290.451 2.949 20 30 CFEDHN Nc1ccc(CN2CCC(C#Cc3ccccc3)CC2)cn1 ZINC001232369863 777538219 /nfs/dbraw/zinc/53/82/19/777538219.db2.gz PZVQDWYFSWRJPK-UHFFFAOYSA-N 0 3 291.398 2.928 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)nc2)[C@H]1CC ZINC001087505882 777553203 /nfs/dbraw/zinc/55/32/03/777553203.db2.gz DTJVMRKQOVZPTJ-JKSUJKDBSA-N 0 3 287.407 2.549 20 30 CFEDHN CCC(=O)N(C)[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001270871828 777558230 /nfs/dbraw/zinc/55/82/30/777558230.db2.gz XDJUYPIIOMIDHZ-CYBMUJFWSA-N 0 3 292.810 2.538 20 30 CFEDHN CCC(=O)N(C)[C@@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001270871829 777558350 /nfs/dbraw/zinc/55/83/50/777558350.db2.gz XDJUYPIIOMIDHZ-ZDUSSCGKSA-N 0 3 292.810 2.538 20 30 CFEDHN Cc1ncc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)[nH]1 ZINC001232464843 777570210 /nfs/dbraw/zinc/57/02/10/777570210.db2.gz FCHBQQIHWPTAJU-QGZVFWFLSA-N 0 3 296.374 2.633 20 30 CFEDHN C#CCN(C)CCCN(C)C(=O)c1cccc(C(C)C)c1 ZINC001280874908 777572370 /nfs/dbraw/zinc/57/23/70/777572370.db2.gz TZYYZKSUQCZIEW-UHFFFAOYSA-N 0 3 286.419 2.837 20 30 CFEDHN CC/C(C)=C\C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001270955909 777614873 /nfs/dbraw/zinc/61/48/73/777614873.db2.gz CMIDPBGQMLUFNB-YHKKIHSWSA-N 0 3 298.430 2.831 20 30 CFEDHN CC/C(C)=C/C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001270955907 777614955 /nfs/dbraw/zinc/61/49/55/777614955.db2.gz CMIDPBGQMLUFNB-FYPAKXHLSA-N 0 3 298.430 2.831 20 30 CFEDHN C=CCN1CCC[C@](C)(CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001270974763 777617337 /nfs/dbraw/zinc/61/73/37/777617337.db2.gz SZDHFLSYLINEDZ-DJIMGWMZSA-N 0 3 276.424 2.581 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@@H](C)CNC[C@H](F)CC ZINC001270975794 777618749 /nfs/dbraw/zinc/61/87/49/777618749.db2.gz ILSCQLXGZGWIFI-QWHCGFSZSA-N 0 3 258.381 2.527 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2C)[C@H]1CC ZINC001087707389 777683431 /nfs/dbraw/zinc/68/34/31/777683431.db2.gz RBSYMUHTHQQLAB-JKSUJKDBSA-N 0 3 287.407 2.549 20 30 CFEDHN C[C@H]1C[C@H]2CN(Cc3ccc(C#N)s3)CC[C@H]2O1 ZINC001232843256 777689670 /nfs/dbraw/zinc/68/96/70/777689670.db2.gz UOLZVKYBCZAQST-COPLHBTASA-N 0 3 262.378 2.619 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]1CC ZINC001087799562 777701274 /nfs/dbraw/zinc/70/12/74/777701274.db2.gz AUPBYVAURYZVOH-RYQLBKOJSA-N 0 3 298.430 2.783 20 30 CFEDHN Cc1ccc(CN2CC[C@H](C)[C@@](C)(O)CC2)c(C#N)c1 ZINC001232962995 777741161 /nfs/dbraw/zinc/74/11/61/777741161.db2.gz WSXLLWXVFIOFPE-YOEHRIQHSA-N 0 3 272.392 2.850 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001277759181 777793238 /nfs/dbraw/zinc/79/32/38/777793238.db2.gz HFKUMUUMMMVEQI-KGLIPLIRSA-N 0 3 290.407 2.797 20 30 CFEDHN CN(C)c1ccc(CN(C)CC2CC2)c(F)c1C#N ZINC001233097546 777794956 /nfs/dbraw/zinc/79/49/56/777794956.db2.gz ULPYCZILTAQKFX-UHFFFAOYSA-N 0 3 261.344 2.605 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2n[nH]c3cc(F)ccc32)C1 ZINC001233123270 777801309 /nfs/dbraw/zinc/80/13/09/777801309.db2.gz LHCMLRSAOHMFRJ-LLVKDONJSA-N 0 3 257.312 2.547 20 30 CFEDHN C=CCN[C@H](CNC(=O)c1ccc[nH]1)c1ccccc1CC ZINC001271439284 777855232 /nfs/dbraw/zinc/85/52/32/777855232.db2.gz QRZLGBJJYVEGLO-QGZVFWFLSA-N 0 3 297.402 2.824 20 30 CFEDHN CN1CCC[C@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227788813 777903399 /nfs/dbraw/zinc/90/33/99/777903399.db2.gz HERWMZDOTSEUPN-JTQLQIEISA-N 0 3 250.729 2.685 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233529493 777980144 /nfs/dbraw/zinc/98/01/44/777980144.db2.gz MOUAXIQBHDJWNE-UKRRQHHQSA-N 0 3 264.413 2.531 20 30 CFEDHN CN1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccccc1C(=O)CC#N ZINC001233531674 777981814 /nfs/dbraw/zinc/98/18/14/777981814.db2.gz UXIZROOTEFILNA-ZSBFGKGUSA-N 0 3 298.386 2.892 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C#CC2CC2)C1 ZINC001088311784 777994449 /nfs/dbraw/zinc/99/44/49/777994449.db2.gz GOEZVWYBQNMEDP-OAHLLOKOSA-N 0 3 294.826 2.513 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H](F)CC)C1 ZINC001088361525 778028687 /nfs/dbraw/zinc/02/86/87/778028687.db2.gz YXNOBNWUUZVSHM-CHWSQXEVSA-N 0 3 290.810 2.848 20 30 CFEDHN CCCCCC#CC(=O)N1CC2(C1)CN(C1CCCC1)C2 ZINC001271957017 778038896 /nfs/dbraw/zinc/03/88/96/778038896.db2.gz BTJGDYSPGSMIOA-UHFFFAOYSA-N 0 3 288.435 2.657 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CC/C=C\CC ZINC001233947645 778120846 /nfs/dbraw/zinc/12/08/46/778120846.db2.gz NKVYLIICYHRLCC-QKIRZYONSA-N 0 3 276.424 2.679 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001233992009 778131883 /nfs/dbraw/zinc/13/18/83/778131883.db2.gz UTWYQFCRYMDUOF-CQSZACIVSA-N 0 3 290.407 2.955 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001088508124 778181688 /nfs/dbraw/zinc/18/16/88/778181688.db2.gz PQXKYHZGUBRJLY-OLZOCXBDSA-N 0 3 278.440 2.824 20 30 CFEDHN CN(C[C@H]1CCN1CCCC1CCC1)C(=O)C#CC1CC1 ZINC001234186100 778182981 /nfs/dbraw/zinc/18/29/81/778182981.db2.gz DIBCYHJWLZZRME-QGZVFWFLSA-N 0 3 288.435 2.513 20 30 CFEDHN CC1CC(CN2CC[C@H]2CN(C)C(=O)C#CC(C)(C)C)C1 ZINC001234215058 778187211 /nfs/dbraw/zinc/18/72/11/778187211.db2.gz IEOVCGIHDBOSIL-GPANFISMSA-N 0 3 290.451 2.615 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1(C(F)F)CC1 ZINC001234313577 778207143 /nfs/dbraw/zinc/20/71/43/778207143.db2.gz DVIHNLWRVSLKLR-LBPRGKRZSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1C=CCCC1 ZINC001272049419 778224707 /nfs/dbraw/zinc/22/47/07/778224707.db2.gz QBBBJAZSAZEPNU-HNNXBMFYSA-N 0 3 264.413 2.699 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccoc2)c1 ZINC000127617944 778225038 /nfs/dbraw/zinc/22/50/38/778225038.db2.gz GLZYYIYBKGLEOW-CYBMUJFWSA-N 0 3 268.272 2.549 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC001088555092 778239665 /nfs/dbraw/zinc/23/96/65/778239665.db2.gz SLOUNJYTUYKHNQ-PWSUYJOCSA-N 0 3 282.384 2.656 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CCCOCC ZINC001234555758 778251784 /nfs/dbraw/zinc/25/17/84/778251784.db2.gz XXKXWZLJNIFGSN-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN C#CC[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234658153 778279563 /nfs/dbraw/zinc/27/95/63/778279563.db2.gz VNGRCAXXMUDGFY-HNNXBMFYSA-N 0 3 272.392 2.619 20 30 CFEDHN C=C[C@H](C)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657708 778279947 /nfs/dbraw/zinc/27/99/47/778279947.db2.gz GRQUUGRHCGPFOJ-AWEZNQCLSA-N 0 3 260.381 2.782 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001272131894 778360919 /nfs/dbraw/zinc/36/09/19/778360919.db2.gz QPYNYOGMUVTGBT-UONOGXRCSA-N 0 3 268.445 2.881 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@](C)(CC)CCC ZINC001272138717 778362207 /nfs/dbraw/zinc/36/22/07/778362207.db2.gz YFEBUNAVSQHHSM-INIZCTEOSA-N 0 3 266.429 2.616 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC001088665615 778379747 /nfs/dbraw/zinc/37/97/47/778379747.db2.gz CYDLQJGRBNQXLF-GJEMEMOUSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(F)F ZINC001235241492 778429213 /nfs/dbraw/zinc/42/92/13/778429213.db2.gz BLSFNYFSSVDNDD-GFCCVEGCSA-N 0 3 288.382 2.777 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC001088715614 778453704 /nfs/dbraw/zinc/45/37/04/778453704.db2.gz JRXQLBJAVYYAPU-WBVHZDCISA-N 0 3 286.419 2.693 20 30 CFEDHN N#CCCN1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001277939373 778467440 /nfs/dbraw/zinc/46/74/40/778467440.db2.gz QCVGTHSTACJSPA-QGZVFWFLSA-N 0 3 286.423 2.606 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCc1ccsc1 ZINC001235372670 778470887 /nfs/dbraw/zinc/47/08/87/778470887.db2.gz AJGBFCDPWZEWGR-HNNXBMFYSA-N 0 3 292.448 2.790 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001038485382 778476345 /nfs/dbraw/zinc/47/63/45/778476345.db2.gz OEVNJYRICJXOOE-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN CC#CCO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001224357973 778484048 /nfs/dbraw/zinc/48/40/48/778484048.db2.gz BSHJPAVAMWGNPS-CABCVRRESA-N 0 3 258.365 2.647 20 30 CFEDHN C=CCCCCCCCCCN1CCN[C@H](C(=O)OC)C1 ZINC001235440360 778490966 /nfs/dbraw/zinc/49/09/66/778490966.db2.gz BMSILYGFZHTGOE-INIZCTEOSA-N 0 3 296.455 2.740 20 30 CFEDHN CCOCCN(CCOCC)Cc1ccccc1CC#N ZINC001235524900 778511966 /nfs/dbraw/zinc/51/19/66/778511966.db2.gz CCDIGXQFAMEGGU-UHFFFAOYSA-N 0 3 290.407 2.628 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C3CCC4(CC4)CC3)[C@@H]2C1 ZINC001076053169 778561037 /nfs/dbraw/zinc/56/10/37/778561037.db2.gz SDBNXCHNVHJJBT-JKSUJKDBSA-N 0 3 288.435 2.676 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC3(C)C)[C@@H]2C1 ZINC001076147649 778573174 /nfs/dbraw/zinc/57/31/74/778573174.db2.gz PHYBRBHFRXKLCB-HRCADAONSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001076188446 778575285 /nfs/dbraw/zinc/57/52/85/778575285.db2.gz KUOWPSGJDDGDDM-FUHWJXTLSA-N 0 3 298.430 2.971 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076220618 778577570 /nfs/dbraw/zinc/57/75/70/778577570.db2.gz KHXRWLQGFHEOJB-OWCLPIDISA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001076263655 778578992 /nfs/dbraw/zinc/57/89/92/778578992.db2.gz MYXUBQGICQKRAF-YLFCFFPRSA-N 0 3 290.451 2.777 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001076299786 778582315 /nfs/dbraw/zinc/58/23/15/778582315.db2.gz LXUUOGLARQTXTR-BPQIPLTHSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1C ZINC001088833936 778596714 /nfs/dbraw/zinc/59/67/14/778596714.db2.gz QKBJSMDDQJQGPD-WBVHZDCISA-N 0 3 286.419 2.611 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076622056 778599275 /nfs/dbraw/zinc/59/92/75/778599275.db2.gz SJDSPFKXHKILJP-HRCADAONSA-N 0 3 290.451 2.922 20 30 CFEDHN CC(C)(O)[C@H]1CCCN1Cc1ccc(C#N)c(Cl)c1 ZINC001232117023 778900384 /nfs/dbraw/zinc/90/03/84/778900384.db2.gz UBBSNFZVXGHMOV-CQSZACIVSA-N 0 3 278.783 2.947 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC001088876540 778930990 /nfs/dbraw/zinc/93/09/90/778930990.db2.gz SJZSZVBTPWJXJW-CVEARBPZSA-N 0 3 284.403 2.519 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3c2ccn3C)[C@H]1C ZINC001088922778 778950421 /nfs/dbraw/zinc/95/04/21/778950421.db2.gz BUKHTJGAABXLPP-CJNGLKHVSA-N 0 3 297.402 2.557 20 30 CFEDHN C=CCN1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236839543 778962191 /nfs/dbraw/zinc/96/21/91/778962191.db2.gz GKLBGUXSGNPWBS-UHFFFAOYSA-N 0 3 282.387 2.849 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@H]1C ZINC001088976914 778965663 /nfs/dbraw/zinc/96/56/63/778965663.db2.gz VVCNYVQQGXFHAK-ZBFHGGJFSA-N 0 3 297.402 2.626 20 30 CFEDHN C=CCO[C@H]1CCN(Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001168422787 778965735 /nfs/dbraw/zinc/96/57/35/778965735.db2.gz AXMQFJQSJGFDEB-AWEZNQCLSA-N 0 3 284.359 2.717 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC001088991875 778969302 /nfs/dbraw/zinc/96/93/02/778969302.db2.gz WMZLVIVDKNMTIR-SPUZQDLCSA-N 0 3 298.430 2.945 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018609 778975040 /nfs/dbraw/zinc/97/50/40/778975040.db2.gz RMFGVQLBNMXQMN-ZBFHGGJFSA-N 0 3 272.392 2.682 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001278064539 779040944 /nfs/dbraw/zinc/04/09/44/779040944.db2.gz QZBWXUXXIKYVTL-MRXNPFEDSA-N 0 3 288.435 2.727 20 30 CFEDHN CCc1cc(C#N)ccc1CN1CCNC2=CCCC[C@H]21 ZINC001237230373 779057555 /nfs/dbraw/zinc/05/75/55/779057555.db2.gz SCJSVXNRTMYHPM-GOSISDBHSA-N 0 3 281.403 2.962 20 30 CFEDHN CCOC[C@@]12CCC[C@@H]1CN(Cc1ccnc(C#N)c1)C2 ZINC001237461612 779112823 /nfs/dbraw/zinc/11/28/23/779112823.db2.gz DISMZJVVWGXJQB-WBVHZDCISA-N 0 3 285.391 2.592 20 30 CFEDHN C#CCN(C(=O)[C@H](C)CCC)C1CCN(CC=C)CC1 ZINC001278137416 779168695 /nfs/dbraw/zinc/16/86/95/779168695.db2.gz OBWSYXARMZUNCJ-OAHLLOKOSA-N 0 3 276.424 2.535 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(Cl)cc(C#N)c1 ZINC001237749258 779174696 /nfs/dbraw/zinc/17/46/96/779174696.db2.gz RXPYRLYYSFUZDQ-NWDGAFQWSA-N 0 3 277.799 2.736 20 30 CFEDHN CN(Cc1cc(Cl)cc(C#N)c1)[C@H]1CCCOC1 ZINC001237754389 779175861 /nfs/dbraw/zinc/17/58/61/779175861.db2.gz KRCCNKVRIZFWDJ-AWEZNQCLSA-N 0 3 264.756 2.822 20 30 CFEDHN C#CCCN1CC[C@](C)(NC(=O)c2ccc(CC)s2)C1 ZINC001046465042 779192592 /nfs/dbraw/zinc/19/25/92/779192592.db2.gz WADRCKUWHLWSRK-INIZCTEOSA-N 0 3 290.432 2.528 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001272573471 779195643 /nfs/dbraw/zinc/19/56/43/779195643.db2.gz GUFUZHHBRJYGRM-MGPQQGTHSA-N 0 3 284.831 2.613 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC=CCC2)CC(C)(C)C1 ZINC001089311612 779204165 /nfs/dbraw/zinc/20/41/65/779204165.db2.gz CEADVVYZDAGUKR-HOTGVXAUSA-N 0 3 288.435 2.583 20 30 CFEDHN CCCN1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238191540 779274847 /nfs/dbraw/zinc/27/48/47/779274847.db2.gz NEUSUUARPCRCHC-UHFFFAOYSA-N 0 3 277.799 2.739 20 30 CFEDHN CC(C)N1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238197701 779277929 /nfs/dbraw/zinc/27/79/29/779277929.db2.gz XUIPBJGOTDZGNJ-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)c(CC)c2)C1 ZINC001238768212 779386602 /nfs/dbraw/zinc/38/66/02/779386602.db2.gz HIKHENDQNQURQI-MRXNPFEDSA-N 0 3 258.365 2.731 20 30 CFEDHN CCc1cc(CN2CCN(CC)C[C@H]2C)ccc1C#N ZINC001238773041 779387873 /nfs/dbraw/zinc/38/78/73/779387873.db2.gz TYPKXRQARSMZCB-CQSZACIVSA-N 0 3 271.408 2.647 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CC2)CC(C)(C)C1 ZINC001089463832 779488231 /nfs/dbraw/zinc/48/82/31/779488231.db2.gz BJNLXHUZPKCSAO-HNNXBMFYSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC001239284060 779500993 /nfs/dbraw/zinc/50/09/93/779500993.db2.gz VVNIWVXBBPKLOZ-UONOGXRCSA-N 0 3 269.433 2.739 20 30 CFEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1CC12CC2 ZINC001272675435 779545286 /nfs/dbraw/zinc/54/52/86/779545286.db2.gz LHCXEHSOUFGXQC-MRXNPFEDSA-N 0 3 284.403 2.721 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001089626526 779546933 /nfs/dbraw/zinc/54/69/33/779546933.db2.gz LDVYYARFGZFPBV-NRXISQOPSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089627579 779548507 /nfs/dbraw/zinc/54/85/07/779548507.db2.gz ZROBJHVHDLOIAR-ZIAGYGMSSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630851 779549428 /nfs/dbraw/zinc/54/94/28/779549428.db2.gz ZROBJHVHDLOIAR-KBPBESRZSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683609 779566232 /nfs/dbraw/zinc/56/62/32/779566232.db2.gz BCSGKIDNEKNYJB-KKUMJFAQSA-N 0 3 278.440 2.825 20 30 CFEDHN CCCCCCCNC(=S)N1CCN[C@@H](CCC)C1 ZINC001239448886 779572839 /nfs/dbraw/zinc/57/28/39/779572839.db2.gz URGCZMVOGGJWKJ-AWEZNQCLSA-N 0 3 285.501 2.905 20 30 CFEDHN C=CCCC(=O)NCCN[C@@H]1CCc2c1cc(F)cc2F ZINC001124636301 779699194 /nfs/dbraw/zinc/69/91/94/779699194.db2.gz LXWDSKGJSHAPAZ-OAHLLOKOSA-N 0 3 294.345 2.624 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001032130059 779745021 /nfs/dbraw/zinc/74/50/21/779745021.db2.gz UHRYNWINGDMTEZ-UHFFFAOYSA-N 0 3 296.414 2.639 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032367144 779900590 /nfs/dbraw/zinc/90/05/90/779900590.db2.gz KNIUISPYRWCUNU-HOTGVXAUSA-N 0 3 274.408 2.738 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038607936 779905743 /nfs/dbraw/zinc/90/57/43/779905743.db2.gz VDZGHGOGKAHMMR-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107851899 779908642 /nfs/dbraw/zinc/90/86/42/779908642.db2.gz COYAQPVWPAMYCD-CMIWADLOSA-N 0 3 294.439 2.514 20 30 CFEDHN CCCCCCCOC(=O)N1[C@H](C)CNC[C@@H]1C ZINC001239330588 779932486 /nfs/dbraw/zinc/93/24/86/779932486.db2.gz SESNDOBGGBAPCE-BETUJISGSA-N 0 3 256.390 2.776 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCCC1 ZINC001032471592 779965126 /nfs/dbraw/zinc/96/51/26/779965126.db2.gz AGQDEDSUSBWZKU-JYJNAYRXSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(C)C ZINC001032476856 779970382 /nfs/dbraw/zinc/97/03/82/779970382.db2.gz YOLAHFJEYJUOGE-ILXRZTDVSA-N 0 3 278.440 2.920 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032605947 780066272 /nfs/dbraw/zinc/06/62/72/780066272.db2.gz KISWYHICDHQJLC-ZOBUZTSGSA-N 0 3 276.424 2.674 20 30 CFEDHN COc1ccc([C@@H]2C[C@H](N3CC(CC#N)C3)CCO2)cc1 ZINC001168632075 780134831 /nfs/dbraw/zinc/13/48/31/780134831.db2.gz XQETXFZFUDPZIP-WBVHZDCISA-N 0 3 286.375 2.761 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCNCc1ccc(F)cc1 ZINC001128081372 780137066 /nfs/dbraw/zinc/13/70/66/780137066.db2.gz OGFDIBUGRBIDRT-UHFFFAOYSA-N 0 3 290.382 2.800 20 30 CFEDHN [O-]/N=C/c1ccc(F)c(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240456658 780178654 /nfs/dbraw/zinc/17/86/54/780178654.db2.gz GXRRTUPLTXXWAU-DJKKODMXSA-N 0 3 270.307 2.947 20 30 CFEDHN C=C[C@H](COC)N[C@@H](CC)c1ccc2c(c1)OCCO2 ZINC001116644372 780207343 /nfs/dbraw/zinc/20/73/43/780207343.db2.gz ZJAIURGQIBWKAQ-KGLIPLIRSA-N 0 3 277.364 2.700 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1C ZINC001032774785 780209550 /nfs/dbraw/zinc/20/95/50/780209550.db2.gz RYDZLYPWLLDADA-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CC1 ZINC001032806478 780259865 /nfs/dbraw/zinc/25/98/65/780259865.db2.gz RMVDLNZSWZJPDH-KBMXLJTQSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C2CCC2)C12CCC2 ZINC001078523886 780271169 /nfs/dbraw/zinc/27/11/69/780271169.db2.gz OBPQKECCMZFBKD-CHWSQXEVSA-N 0 3 282.815 2.556 20 30 CFEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C)s2)C1=O ZINC001272934233 780307135 /nfs/dbraw/zinc/30/71/35/780307135.db2.gz OLDBAPHKWDPEHX-INIZCTEOSA-N 0 3 290.432 2.809 20 30 CFEDHN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccsc1)CC2 ZINC001272936910 780315639 /nfs/dbraw/zinc/31/56/39/780315639.db2.gz VMJZIDZPLTVNAC-AWEZNQCLSA-N 0 3 290.432 2.652 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032990685 780524272 /nfs/dbraw/zinc/52/42/72/780524272.db2.gz XBZLLQKTHUFHJN-MRXNPFEDSA-N 0 3 276.424 2.986 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076737 780554863 /nfs/dbraw/zinc/55/48/63/780554863.db2.gz NYVUMCZKFXWQGA-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN CC(C)N1CC[C@@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838413 780558932 /nfs/dbraw/zinc/55/89/32/780558932.db2.gz OZJYDHSHERRECZ-LLVKDONJSA-N 0 3 266.291 2.698 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033099754 780560075 /nfs/dbraw/zinc/56/00/75/780560075.db2.gz SCGDTVUGIAGNGA-LTIDMASMSA-N 0 3 288.435 2.698 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033103337 780563151 /nfs/dbraw/zinc/56/31/51/780563151.db2.gz OUYNHFSPNVUARO-IAGOWNOFSA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001273067450 780577868 /nfs/dbraw/zinc/57/78/68/780577868.db2.gz QOAHQRZITNPMCG-FPMFFAJLSA-N 0 3 284.831 2.660 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033132587 780578068 /nfs/dbraw/zinc/57/80/68/780578068.db2.gz VAIKOWZJPXJGER-MRXNPFEDSA-N 0 3 298.430 2.980 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@]2(C)CCC[C@@H]2CC)CCC1 ZINC001273106918 780598212 /nfs/dbraw/zinc/59/82/12/780598212.db2.gz UXGDFTZOZFUAJP-DOTOQJQBSA-N 0 3 290.451 2.855 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](C)C2CCC2)C1 ZINC001033183617 780607827 /nfs/dbraw/zinc/60/78/27/780607827.db2.gz AAQOQALBQDSHSA-ZFWWWQNUSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001033234062 780625498 /nfs/dbraw/zinc/62/54/98/780625498.db2.gz YXXFYRNTTCMPID-AWEZNQCLSA-N 0 3 299.374 2.550 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033256749 780632909 /nfs/dbraw/zinc/63/29/09/780632909.db2.gz YSGTXVCZTAPEEU-OAHLLOKOSA-N 0 3 297.402 2.662 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001033271768 780637742 /nfs/dbraw/zinc/63/77/42/780637742.db2.gz JKLJNEQJOZFVHI-CYBMUJFWSA-N 0 3 299.374 2.550 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339495 780660045 /nfs/dbraw/zinc/66/00/45/780660045.db2.gz VUXDFWGMEJIINM-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001033341626 780660193 /nfs/dbraw/zinc/66/01/93/780660193.db2.gz CIXHHFMSAWNHOR-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033465798 780689772 /nfs/dbraw/zinc/68/97/72/780689772.db2.gz LQQAGZXXZRLUCD-WMZOPIPTSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033481774 780692178 /nfs/dbraw/zinc/69/21/78/780692178.db2.gz BZLPAFYNYWWGMX-KSZLIROESA-N 0 3 298.430 2.899 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033472548 780694049 /nfs/dbraw/zinc/69/40/49/780694049.db2.gz XWKHEOMILXNHNP-LBPRGKRZSA-N 0 3 296.823 2.571 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033489587 780696019 /nfs/dbraw/zinc/69/60/19/780696019.db2.gz IVPDOJROMBZFBD-HRCADAONSA-N 0 3 276.424 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033588684 780719483 /nfs/dbraw/zinc/71/94/83/780719483.db2.gz HAUZSVJEHFGBLH-AEFFLSMTSA-N 0 3 298.430 2.655 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033641074 780740437 /nfs/dbraw/zinc/74/04/37/780740437.db2.gz WDEVWCKJZFBYKB-CQSZACIVSA-N 0 3 292.810 2.601 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033684633 780749206 /nfs/dbraw/zinc/74/92/06/780749206.db2.gz PIIXLTSMUYNPRT-CQSZACIVSA-N 0 3 292.448 2.708 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033684630 780749437 /nfs/dbraw/zinc/74/94/37/780749437.db2.gz PIIXLTSMUYNPRT-AWEZNQCLSA-N 0 3 292.448 2.708 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033745987 780774985 /nfs/dbraw/zinc/77/49/85/780774985.db2.gz XFKCGVLVLMMLOQ-AWEZNQCLSA-N 0 3 278.421 2.861 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccsc2C)CC1 ZINC001005343487 780782534 /nfs/dbraw/zinc/78/25/34/780782534.db2.gz OYMXSFQMLHUGQO-UHFFFAOYSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033766626 780782589 /nfs/dbraw/zinc/78/25/89/780782589.db2.gz YNZMAOBVMWIQHP-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001005383027 780798181 /nfs/dbraw/zinc/79/81/81/780798181.db2.gz SZDMAWOKGVQUHU-ZIAGYGMSSA-N 0 3 282.403 2.624 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033878004 780812169 /nfs/dbraw/zinc/81/21/69/780812169.db2.gz HGQNTDXUNXYVLN-OAHLLOKOSA-N 0 3 289.423 2.744 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033924562 780826092 /nfs/dbraw/zinc/82/60/92/780826092.db2.gz DQKYTXLTDKHVTR-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034055326 780864941 /nfs/dbraw/zinc/86/49/41/780864941.db2.gz RSJDFMRPCZGBRB-LBPRGKRZSA-N 0 3 296.411 3.000 20 30 CFEDHN C=CCCN1CCCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127114 780901664 /nfs/dbraw/zinc/90/16/64/780901664.db2.gz HQYNSQYJFYMQSE-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034195592 780920974 /nfs/dbraw/zinc/92/09/74/780920974.db2.gz VWKKUTHFEFAXNV-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001034207507 780923290 /nfs/dbraw/zinc/92/32/90/780923290.db2.gz MAZLZEPJRHJPGB-AWEZNQCLSA-N 0 3 290.432 2.664 20 30 CFEDHN N#Cc1cnc(C2=CCN(Cc3ccccc3)CC2)cn1 ZINC001241501574 780945119 /nfs/dbraw/zinc/94/51/19/780945119.db2.gz NHGYVLJBHQXYES-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cocc2C)C1 ZINC001034356954 780950812 /nfs/dbraw/zinc/95/08/12/780950812.db2.gz UVOZEUKONXPATG-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034343224 780951938 /nfs/dbraw/zinc/95/19/38/780951938.db2.gz PISGULPCMNPWNW-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034378505 780960709 /nfs/dbraw/zinc/96/07/09/780960709.db2.gz UCJLVWOULSULKD-NRXISQOPSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001034431239 780974840 /nfs/dbraw/zinc/97/48/40/780974840.db2.gz IBPBDFUPVRJFCB-CABCVRRESA-N 0 3 290.407 2.848 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034499991 780989164 /nfs/dbraw/zinc/98/91/64/780989164.db2.gz YXIHFGJTPWWVGH-JYJNAYRXSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001034534663 780993980 /nfs/dbraw/zinc/99/39/80/780993980.db2.gz IQMCMVWWDDANSN-MRXNPFEDSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001034539196 780995980 /nfs/dbraw/zinc/99/59/80/780995980.db2.gz WYYLDURSAXJHFH-AWEZNQCLSA-N 0 3 292.448 2.756 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001045479334 781000750 /nfs/dbraw/zinc/00/07/50/781000750.db2.gz AOVBSCAXGAOUFO-ZNMIVQPWSA-N 0 3 276.424 2.579 20 30 CFEDHN CCCCCCCNC(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000703783213 781062048 /nfs/dbraw/zinc/06/20/48/781062048.db2.gz UPYAFGUNUPOHOR-CJNGLKHVSA-N 0 3 284.444 2.606 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1=CCCC1)CC2 ZINC001035684418 781157988 /nfs/dbraw/zinc/15/79/88/781157988.db2.gz WTWBUSVXPRDUEQ-UHFFFAOYSA-N 0 3 274.408 2.597 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001035771950 781166513 /nfs/dbraw/zinc/16/65/13/781166513.db2.gz IOPHPVAZIONFSA-ZSHCYNCHSA-N 0 3 288.435 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](F)C1)CC2 ZINC001035777771 781170922 /nfs/dbraw/zinc/17/09/22/781170922.db2.gz PBRFKQWBCOLEGM-GJZGRUSLSA-N 0 3 294.414 2.625 20 30 CFEDHN C#Cc1cccc(-c2cncc([C@@H]3CN4CCC3CC4)n2)c1 ZINC001241918535 781181905 /nfs/dbraw/zinc/18/19/05/781181905.db2.gz BAEPDUYFRHZVOA-QGZVFWFLSA-N 0 3 289.382 2.934 20 30 CFEDHN CSC1CC(NCc2cc(C#N)ccc2F)C1 ZINC000708302472 781269593 /nfs/dbraw/zinc/26/95/93/781269593.db2.gz SNVPJCUXSCHHGR-UHFFFAOYSA-N 0 3 250.342 2.681 20 30 CFEDHN N#Cc1ncccc1-c1cncc(CN2CCCC2)c1 ZINC001242312186 781388584 /nfs/dbraw/zinc/38/85/84/781388584.db2.gz WTSBBCIMSBPUMR-UHFFFAOYSA-N 0 3 264.332 2.611 20 30 CFEDHN Cc1ccc(-c2ccc3c(c2)COC32CNC2)c(C#N)c1 ZINC001242594132 781626178 /nfs/dbraw/zinc/62/61/78/781626178.db2.gz CXQQNRYOIBYLAZ-UHFFFAOYSA-N 0 3 276.339 2.862 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001079952796 781629880 /nfs/dbraw/zinc/62/98/80/781629880.db2.gz NTVVMXIMICWONR-RBSFLKMASA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001080343341 781651853 /nfs/dbraw/zinc/65/18/53/781651853.db2.gz ACHKYYVAYAQJLY-IUODEOHRSA-N 0 3 287.407 2.518 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001080503133 781666100 /nfs/dbraw/zinc/66/61/00/781666100.db2.gz GKKFDRDLAPUGNY-KLHDSHLOSA-N 0 3 290.451 2.825 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001080891702 781682855 /nfs/dbraw/zinc/68/28/55/781682855.db2.gz YIMUDFTZAUQBHI-UKRRQHHQSA-N 0 3 296.370 2.506 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001080977876 781686009 /nfs/dbraw/zinc/68/60/09/781686009.db2.gz BLEXSRXBRXNEKQ-JBCIKUTRSA-N 0 3 290.451 2.969 20 30 CFEDHN N#Cc1ccccc1-c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001242715611 781716412 /nfs/dbraw/zinc/71/64/12/781716412.db2.gz DTBPMAFTMHMELN-INIZCTEOSA-N 0 3 290.370 2.824 20 30 CFEDHN C=CCO[C@H]1CCN(Cc2cc3ccccc3n2C)C1 ZINC001119300974 781757415 /nfs/dbraw/zinc/75/74/15/781757415.db2.gz MCNNTNPYWWOYJB-INIZCTEOSA-N 0 3 270.376 2.955 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001084220504 781781004 /nfs/dbraw/zinc/78/10/04/781781004.db2.gz KOQUQYNVBLUNOQ-IAGOWNOFSA-N 0 3 288.435 2.986 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001084233977 781782843 /nfs/dbraw/zinc/78/28/43/781782843.db2.gz ZUEQLLUSCKIJJE-IAGOWNOFSA-N 0 3 288.435 2.986 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CCOC(C)C ZINC001098922938 781846088 /nfs/dbraw/zinc/84/60/88/781846088.db2.gz WEBLPDDDNWNMOW-HNNXBMFYSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@H](CC)SC)C[C@@H]21 ZINC001084923084 781863021 /nfs/dbraw/zinc/86/30/21/781863021.db2.gz XWLJTSZWMDPTGV-ILXRZTDVSA-N 0 3 296.480 2.627 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972669 781870376 /nfs/dbraw/zinc/87/03/76/781870376.db2.gz SISYWZXFCREVGB-KFWWJZLASA-N 0 3 278.440 2.777 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000594510827 349435480 /nfs/dbraw/zinc/43/54/80/349435480.db2.gz LJWPNPJOZSZQNV-OAGGEKHMSA-N 0 3 270.376 2.897 20 30 CFEDHN CSC[C@@H](CCO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594515486 349437930 /nfs/dbraw/zinc/43/79/30/349437930.db2.gz VTNSHHPKSDOVGE-OAHLLOKOSA-N 0 3 292.448 2.691 20 30 CFEDHN COCC[C@H](COC)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521473 349440699 /nfs/dbraw/zinc/44/06/99/349440699.db2.gz RTIMSPSBOXSOEX-MRXNPFEDSA-N 0 3 290.407 2.629 20 30 CFEDHN N#CC1CCC(CNCc2cc3n(n2)CCCC3)CC1 ZINC000594522652 349441873 /nfs/dbraw/zinc/44/18/73/349441873.db2.gz MYCXPAJHXXITFN-UHFFFAOYSA-N 0 3 272.396 2.639 20 30 CFEDHN CCC(C)(C)N1CCN(c2nccc(C)c2C#N)CC1 ZINC000594593328 349454694 /nfs/dbraw/zinc/45/46/94/349454694.db2.gz AUDUEYDJGKTFGE-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN N#Cc1c(N[C@@H]2CCCN3CCCC[C@@H]23)nc2ccccn12 ZINC000594603293 349458701 /nfs/dbraw/zinc/45/87/01/349458701.db2.gz SYZHXSXQSKOZSC-KGLIPLIRSA-N 0 3 295.390 2.635 20 30 CFEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CCCCO1 ZINC000594612494 349463230 /nfs/dbraw/zinc/46/32/30/349463230.db2.gz SWZRDKSVOMMKNG-HZPDHXFCSA-N 0 3 298.390 2.643 20 30 CFEDHN C[C@H](N[C@@H]1COC2(CCC2)C1)c1cccc(C#N)c1 ZINC000594723446 349480012 /nfs/dbraw/zinc/48/00/12/349480012.db2.gz AZSDZZOPFIBHFH-WFASDCNBSA-N 0 3 256.349 2.920 20 30 CFEDHN C[C@H](NCCO[C@@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000594721051 349480022 /nfs/dbraw/zinc/48/00/22/349480022.db2.gz LHCXCPXYGNGTBX-GXFFZTMASA-N 0 3 266.291 2.633 20 30 CFEDHN Cn1cc(CCNC[C@@H](C#N)CCC#N)c2ccccc21 ZINC000594726548 349480924 /nfs/dbraw/zinc/48/09/24/349480924.db2.gz MLTPOCUBWHYSDM-CQSZACIVSA-N 0 3 280.375 2.754 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000067703625 346815664 /nfs/dbraw/zinc/81/56/64/346815664.db2.gz PFPBFZZMONMZJV-UHFFFAOYSA-N 0 3 270.376 2.587 20 30 CFEDHN CC[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000124581168 187144322 /nfs/dbraw/zinc/14/43/22/187144322.db2.gz WSZBHVOVZSHLSS-WFASDCNBSA-N 0 3 271.364 2.760 20 30 CFEDHN C=CCCOCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594938977 349519067 /nfs/dbraw/zinc/51/90/67/349519067.db2.gz ULRHVNDXJOCNFV-UHFFFAOYSA-N 0 3 270.376 2.924 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000594940118 349520167 /nfs/dbraw/zinc/52/01/67/349520167.db2.gz HMFNVCWNBVOJLD-UHOFOFEASA-N 0 3 289.375 2.539 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000594955416 349527008 /nfs/dbraw/zinc/52/70/08/349527008.db2.gz OGSHRFSHRIJHTM-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN COCc1csc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000594948284 349524739 /nfs/dbraw/zinc/52/47/39/349524739.db2.gz YPOOGHJVWHAOQW-JQWIXIFHSA-N 0 3 250.367 2.676 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594948759 349525338 /nfs/dbraw/zinc/52/53/38/349525338.db2.gz BHDTVGPCMOMAPX-DAXOMENPSA-N 0 3 298.386 2.725 20 30 CFEDHN COCc1ccc(CNCCc2ccc(C#N)cc2)o1 ZINC000594955003 349527408 /nfs/dbraw/zinc/52/74/08/349527408.db2.gz JWAZTSFRJOANRT-UHFFFAOYSA-N 0 3 270.332 2.630 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1ccc(C#N)cc1F ZINC000594955524 349527606 /nfs/dbraw/zinc/52/76/06/349527606.db2.gz ANLXIQNFJPOULZ-OAHLLOKOSA-N 0 3 276.355 2.992 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000594958323 349528966 /nfs/dbraw/zinc/52/89/66/349528966.db2.gz PTWRNRIWSKDHEZ-LCGIIJARSA-N 0 3 286.375 2.819 20 30 CFEDHN C=CCCSCCNCc1n[nH]c2ccccc12 ZINC000594960436 349530225 /nfs/dbraw/zinc/53/02/25/349530225.db2.gz QHNKZGFSPWTLEF-UHFFFAOYSA-N 0 3 261.394 2.962 20 30 CFEDHN C=CCCSCCNCc1[nH]nc2ccccc21 ZINC000594960436 349530229 /nfs/dbraw/zinc/53/02/29/349530229.db2.gz QHNKZGFSPWTLEF-UHFFFAOYSA-N 0 3 261.394 2.962 20 30 CFEDHN C=CCCSCCNCc1cc(-c2cccnc2)n[nH]1 ZINC000594960591 349530526 /nfs/dbraw/zinc/53/05/26/349530526.db2.gz UZBMDBOEHCMRJF-UHFFFAOYSA-N 0 3 288.420 2.871 20 30 CFEDHN C=CCCSCCNCc1cc(C(=O)OC)c(C)n1C ZINC000594960625 349530587 /nfs/dbraw/zinc/53/05/87/349530587.db2.gz WSBVQPMHFQBBEY-UHFFFAOYSA-N 0 3 296.436 2.519 20 30 CFEDHN CC(C)(NCc1ccncc1)c1cccc(C#N)c1 ZINC000594968208 349534030 /nfs/dbraw/zinc/53/40/30/349534030.db2.gz QRHGNKHACMXVGS-UHFFFAOYSA-N 0 3 251.333 2.978 20 30 CFEDHN CO[C@@H](CNCc1cc(C#N)cs1)C1CCCC1 ZINC000594994670 349542379 /nfs/dbraw/zinc/54/23/79/349542379.db2.gz NEGOWKSEJJIUQA-AWEZNQCLSA-N 0 3 264.394 2.915 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN2Cc2ccccc2)s1 ZINC000594999969 349542857 /nfs/dbraw/zinc/54/28/57/349542857.db2.gz ZEYASEWMGSTIFL-OAHLLOKOSA-N 0 3 297.427 2.984 20 30 CFEDHN C[C@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)c(F)c1 ZINC000595069063 349573072 /nfs/dbraw/zinc/57/30/72/349573072.db2.gz NQSDNSCUKCRCHH-TVQRCGJNSA-N 0 3 284.281 2.772 20 30 CFEDHN CC[C@H](NCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000595090021 349577472 /nfs/dbraw/zinc/57/74/72/349577472.db2.gz BSWXRCWOQASUOZ-KGLIPLIRSA-N 0 3 250.386 2.865 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1ccc(C#N)c(F)c1 ZINC000595090880 349578000 /nfs/dbraw/zinc/57/80/00/349578000.db2.gz PEKOZFKLVOYQRH-VQISRLSMSA-N 0 3 274.339 2.651 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000595250175 349586908 /nfs/dbraw/zinc/58/69/08/349586908.db2.gz LXBRBKXNJJEJLP-QLFBSQMISA-N 0 3 277.412 2.649 20 30 CFEDHN Cc1sc(NC(=O)[C@@H](N)CCCC#N)nc1C(C)C ZINC000595257376 349588290 /nfs/dbraw/zinc/58/82/90/349588290.db2.gz UZNRZNQISLYDEL-JTQLQIEISA-N 0 3 280.397 2.535 20 30 CFEDHN CCCCC[C@@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000595258282 349588332 /nfs/dbraw/zinc/58/83/32/349588332.db2.gz BHIGSUIDJFYCBQ-CABCVRRESA-N 0 3 279.428 2.969 20 30 CFEDHN N#Cc1cccnc1N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595288519 349591515 /nfs/dbraw/zinc/59/15/15/349591515.db2.gz NBPKJLBLCHBISG-INMHGKMJSA-N 0 3 296.418 2.511 20 30 CFEDHN N#Cc1ccc(N2CCN(CCCC3CCC3)CC2)nc1 ZINC000595295184 349593497 /nfs/dbraw/zinc/59/34/97/349593497.db2.gz HQERWSYSYHQYAY-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN N#Cc1ccc(CCN2CCOCC23CCCC3)cc1 ZINC000595410617 349618244 /nfs/dbraw/zinc/61/82/44/349618244.db2.gz NICFONUKMNAKMQ-UHFFFAOYSA-N 0 3 270.376 2.746 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CC2CC=CC2)CC1 ZINC000595472652 349637689 /nfs/dbraw/zinc/63/76/89/349637689.db2.gz OHUYYCQRIPPHCX-UHFFFAOYSA-N 0 3 267.376 2.905 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000595509103 349646469 /nfs/dbraw/zinc/64/64/69/349646469.db2.gz PLCUFIQVTOMFHR-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN Cc1cc(CN(C2CC2)C2(CO)CCC2)ccc1C#N ZINC000595533139 349652202 /nfs/dbraw/zinc/65/22/02/349652202.db2.gz HIZUFZWXOMGPMM-UHFFFAOYSA-N 0 3 270.376 2.746 20 30 CFEDHN N#Cc1ccc(CCN2CCC(c3ccncn3)CC2)cc1 ZINC000595535465 349652746 /nfs/dbraw/zinc/65/27/46/349652746.db2.gz PHSJKCNQKRVDAV-UHFFFAOYSA-N 0 3 292.386 2.770 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@@H](CO)Cc1ccccc1 ZINC000595591427 349666946 /nfs/dbraw/zinc/66/69/46/349666946.db2.gz HHPLVDIZYCUZBD-GOSISDBHSA-N 0 3 280.371 2.594 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@H](CO)Cc1ccccc1 ZINC000595591428 349667011 /nfs/dbraw/zinc/66/70/11/349667011.db2.gz HHPLVDIZYCUZBD-SFHVURJKSA-N 0 3 280.371 2.594 20 30 CFEDHN CCN(CCCN1CCC[C@@H](CC#N)C1)CC(F)(F)F ZINC000595619517 349678202 /nfs/dbraw/zinc/67/82/02/349678202.db2.gz CELYQONDUHZBGE-ZDUSSCGKSA-N 0 3 291.361 2.886 20 30 CFEDHN CN(C)c1ccccc1CN1CCC[C@H](CC#N)C1 ZINC000595617397 349678513 /nfs/dbraw/zinc/67/85/13/349678513.db2.gz ZNLXKOYDFUCURA-CQSZACIVSA-N 0 3 257.381 2.878 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000595618727 349678871 /nfs/dbraw/zinc/67/88/71/349678871.db2.gz ZYHYZVADLPAGRX-LBPRGKRZSA-N 0 3 254.337 2.689 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000595609456 349673591 /nfs/dbraw/zinc/67/35/91/349673591.db2.gz KERKRMRAJCSBDM-OAHLLOKOSA-N 0 3 280.375 2.998 20 30 CFEDHN CCC(C)(C)[C@@H](C)NCC(=O)Nc1sccc1C#N ZINC000595639262 349685751 /nfs/dbraw/zinc/68/57/51/349685751.db2.gz REHIDXQGSUAHHW-SNVBAGLBSA-N 0 3 279.409 2.973 20 30 CFEDHN CC(C)(NCCOCC(F)F)c1cccc(C#N)c1 ZINC000595640610 349686543 /nfs/dbraw/zinc/68/65/43/349686543.db2.gz RGKPPXQGSAPVTM-UHFFFAOYSA-N 0 3 268.307 2.665 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000595623340 349680410 /nfs/dbraw/zinc/68/04/10/349680410.db2.gz NLDLVFPLLUGTOT-FUHWJXTLSA-N 0 3 299.418 2.517 20 30 CFEDHN CO[C@@H](Cc1ccccc1)CN1CCC[C@@H](CC#N)C1 ZINC000595623467 349680609 /nfs/dbraw/zinc/68/06/09/349680609.db2.gz QKUQYRBFDFYYGP-IRXDYDNUSA-N 0 3 272.392 2.870 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@H]1[C@@H](C)CO ZINC000595679487 349698600 /nfs/dbraw/zinc/69/86/00/349698600.db2.gz WNGIVQAOOLIZSE-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000595678204 349698751 /nfs/dbraw/zinc/69/87/51/349698751.db2.gz RJKKONOGQILMOX-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C)[C@@H]1CCO ZINC000595694664 349704643 /nfs/dbraw/zinc/70/46/43/349704643.db2.gz DSVOWXSELVNVGN-CJNGLKHVSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1CCCN(Cc2ccccc2C#N)[C@H]1CCO ZINC000595692996 349704317 /nfs/dbraw/zinc/70/43/17/349704317.db2.gz CTGJTZJAOGFHNH-CJNGLKHVSA-N 0 3 258.365 2.541 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCC[C@@H]1[C@H](C)CO ZINC000595679490 349697809 /nfs/dbraw/zinc/69/78/09/349697809.db2.gz WNGIVQAOOLIZSE-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](C2CCCCC2)C1 ZINC000595731690 349719820 /nfs/dbraw/zinc/71/98/20/349719820.db2.gz BHOAUMJHJSVZJZ-ZBFHGGJFSA-N 0 3 291.439 2.649 20 30 CFEDHN N#CCCCNCc1cc(Br)cs1 ZINC000070600244 346911269 /nfs/dbraw/zinc/91/12/69/346911269.db2.gz CLHWBBRTYFFFKA-UHFFFAOYSA-N 0 3 259.172 2.904 20 30 CFEDHN C[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)cn1 ZINC000595703843 349710562 /nfs/dbraw/zinc/71/05/62/349710562.db2.gz ADFHRWZOTKYEEZ-YVEFUNNKSA-N 0 3 263.344 2.771 20 30 CFEDHN C[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)[C@@H]1CCO ZINC000595706130 349711195 /nfs/dbraw/zinc/71/11/95/349711195.db2.gz XVSKLVSCKUXTOJ-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCOC(C3CC3)(C3CC3)C2)C1 ZINC000595822580 349743329 /nfs/dbraw/zinc/74/33/29/349743329.db2.gz WSBLBSVGHNWLPV-SWLSCSKDSA-N 0 3 260.381 2.570 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)ccn1 ZINC000595788944 349733528 /nfs/dbraw/zinc/73/35/28/349733528.db2.gz OMVGCUBBLIPOCG-NVXWUHKLSA-N 0 3 285.391 2.734 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)ccn1 ZINC000595788947 349733900 /nfs/dbraw/zinc/73/39/00/349733900.db2.gz OMVGCUBBLIPOCG-WBVHZDCISA-N 0 3 285.391 2.734 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)CC1=CCSC1 ZINC000595890127 349763265 /nfs/dbraw/zinc/76/32/65/349763265.db2.gz XZSLUXJEPOELJL-UHFFFAOYSA-N 0 3 258.390 2.972 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](CCC)C(=O)OCC ZINC000595845005 349754044 /nfs/dbraw/zinc/75/40/44/349754044.db2.gz KEICPTUBQMDGPG-MJBXVCDLSA-N 0 3 251.370 2.901 20 30 CFEDHN CC(C)NC(=O)[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000595851897 349755259 /nfs/dbraw/zinc/75/52/59/349755259.db2.gz VKUHCTDIRSTNQI-PBHICJAKSA-N 0 3 299.418 2.856 20 30 CFEDHN N#Cc1ccc([C@@H](C(N)=O)N(CCC2CC2)CC2CC2)cc1 ZINC000595872387 349759060 /nfs/dbraw/zinc/75/90/60/349759060.db2.gz XJJYNKPIXFYOKB-KRWDZBQOSA-N 0 3 297.402 2.597 20 30 CFEDHN CC(C)(CNC[C@@H](C#N)CCC#N)CC(F)(F)F ZINC000596049837 349780772 /nfs/dbraw/zinc/78/07/72/349780772.db2.gz IRFWFRBNPOGYAA-SNVBAGLBSA-N 0 3 261.291 2.998 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@@H](Cc1ccccc1)N(C)C ZINC000596055586 349782831 /nfs/dbraw/zinc/78/28/31/349782831.db2.gz RTRABRKIUZTASH-QGZVFWFLSA-N 0 3 294.402 2.847 20 30 CFEDHN C=CCCSCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000595938996 349770887 /nfs/dbraw/zinc/77/08/87/349770887.db2.gz CKWFJOXISPHLOF-UKRRQHHQSA-N 0 3 292.448 2.748 20 30 CFEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)[C@@H]1c1cccs1 ZINC000595947483 349772036 /nfs/dbraw/zinc/77/20/36/349772036.db2.gz MCZMGWZMJQYZDG-DGCLKSJQSA-N 0 3 291.420 2.679 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000595946563 349772354 /nfs/dbraw/zinc/77/23/54/349772354.db2.gz FPUUQYSXCLOMKZ-CVEARBPZSA-N 0 3 291.439 2.826 20 30 CFEDHN Cc1ccc(C#N)nc1N1CCN(CCC(C)(C)C)CC1 ZINC000596087791 349791323 /nfs/dbraw/zinc/79/13/23/349791323.db2.gz NVPVLZPXRPWPEJ-UHFFFAOYSA-N 0 3 286.423 2.820 20 30 CFEDHN CCN1CC[C@@H](N(C)c2nc(C#N)c(Cl)s2)C[C@H]1C ZINC000596136377 349804034 /nfs/dbraw/zinc/80/40/34/349804034.db2.gz TZCKCGRSAHXFJM-NXEZZACHSA-N 0 3 298.843 2.977 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000295014296 199300431 /nfs/dbraw/zinc/30/04/31/199300431.db2.gz MZFYARSQLUKOFR-MRXNPFEDSA-N 0 3 274.408 2.696 20 30 CFEDHN CN(CCCN1CCCC1)c1nc(C#N)c(Cl)s1 ZINC000596224848 349833047 /nfs/dbraw/zinc/83/30/47/349833047.db2.gz IOIWFGWDRLDVDN-UHFFFAOYSA-N 0 3 284.816 2.590 20 30 CFEDHN CCN1CCCN(c2ccc(Cl)c(C#N)n2)[C@H](C)C1 ZINC000596268017 349848115 /nfs/dbraw/zinc/84/81/15/349848115.db2.gz BPBBMUXOXIUJEW-LLVKDONJSA-N 0 3 278.787 2.527 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000596335804 349868289 /nfs/dbraw/zinc/86/82/89/349868289.db2.gz IQZSNJXDTBCHKF-ZDUSSCGKSA-N 0 3 284.407 2.727 20 30 CFEDHN Cc1ccnc(N[C@@H]2CCN(C(C)(C)C)C2)c1C#N ZINC000596336432 349868373 /nfs/dbraw/zinc/86/83/73/349868373.db2.gz PHRJXNJMRNVDIA-GFCCVEGCSA-N 0 3 258.369 2.546 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000596337680 349868897 /nfs/dbraw/zinc/86/88/97/349868897.db2.gz ZVKVSFCANGUIQI-LBPRGKRZSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(C)(C)N1CC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000596337676 349869261 /nfs/dbraw/zinc/86/92/61/349869261.db2.gz ZUHGDOHHGDOMSH-NSHDSACASA-N 0 3 278.787 2.891 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1ccccn1 ZINC000073970432 346987226 /nfs/dbraw/zinc/98/72/26/346987226.db2.gz BCQYUKOSIBMSFQ-SNVBAGLBSA-N 0 3 291.232 2.985 20 30 CFEDHN C[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1ccc(C#N)cc1 ZINC000074046449 346993875 /nfs/dbraw/zinc/99/38/75/346993875.db2.gz OGOLSKSVDQANQL-GJZGRUSLSA-N 0 3 299.418 3.000 20 30 CFEDHN CCC(C)(C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000074320813 347009329 /nfs/dbraw/zinc/00/93/29/347009329.db2.gz KFAPOZWNURVJFC-UHFFFAOYSA-N 0 3 279.428 2.792 20 30 CFEDHN CCCN1CCCN(c2cccc(F)c2C#N)CC1 ZINC000074258568 347005405 /nfs/dbraw/zinc/00/54/05/347005405.db2.gz SUICNFCVHDIHHG-UHFFFAOYSA-N 0 3 261.344 2.619 20 30 CFEDHN C=C(C)c1cccc(NC(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000934887504 649848217 /nfs/dbraw/zinc/84/82/17/649848217.db2.gz UNVFEGMZLYSUCL-SWLSCSKDSA-N 0 3 273.380 2.934 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231255392 781924554 /nfs/dbraw/zinc/92/45/54/781924554.db2.gz LVWSRLULPOLCHZ-GDAGCXPBSA-N 0 3 264.413 2.698 20 30 CFEDHN CN1CCC(CC(=O)NCC2(CO)CC3(CCC3)C2)CC1 ZINC000330170447 530048437 /nfs/dbraw/zinc/04/84/37/530048437.db2.gz DSLCBKCLLRVWHE-UHFFFAOYSA-N 0 3 294.439 2.618 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000596487392 349917358 /nfs/dbraw/zinc/91/73/58/349917358.db2.gz YJINLRXZTZJDHP-INIZCTEOSA-N 0 3 286.379 2.516 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231255394 781925346 /nfs/dbraw/zinc/92/53/46/781925346.db2.gz LVWSRLULPOLCHZ-QQBNSCQMSA-N 0 3 264.413 2.698 20 30 CFEDHN C[C@@H](CNc1ccc(C#N)cn1)N1CCc2ccccc2C1 ZINC000075607263 347086259 /nfs/dbraw/zinc/08/62/59/347086259.db2.gz UMKWHCJRSXKLFJ-AWEZNQCLSA-N 0 3 292.386 2.812 20 30 CFEDHN CCCN1CC[C@H](Nc2ncc(Cl)c(C)c2C#N)C1 ZINC000596518552 349927939 /nfs/dbraw/zinc/92/79/39/349927939.db2.gz WMJCOJYKHBGUJD-NSHDSACASA-N 0 3 278.787 2.811 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCOc3ccccc32)o1 ZINC000174372375 232293935 /nfs/dbraw/zinc/29/39/35/232293935.db2.gz BXVZLBFASVWACH-GFCCVEGCSA-N 0 3 268.316 2.807 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000128348191 187365391 /nfs/dbraw/zinc/36/53/91/187365391.db2.gz VEGBXDUKJDJIIO-GJZGRUSLSA-N 0 3 286.419 2.945 20 30 CFEDHN N#Cc1cccc(NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000596558648 349941804 /nfs/dbraw/zinc/94/18/04/349941804.db2.gz SOEVMAXFRUQKBQ-INIZCTEOSA-N 0 3 278.359 2.640 20 30 CFEDHN C[C@@H]1C[C@H](C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000028708706 346276981 /nfs/dbraw/zinc/27/69/81/346276981.db2.gz YCJFDVUFEXILLI-JKIFEVAISA-N 0 3 297.402 2.641 20 30 CFEDHN N#Cc1ccc(CN2CCC3(CCC(O)CC3)CC2)o1 ZINC000295142068 199369674 /nfs/dbraw/zinc/36/96/74/199369674.db2.gz QASFRUUFLPMGEP-UHFFFAOYSA-N 0 3 274.364 2.668 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000035426649 346321361 /nfs/dbraw/zinc/32/13/61/346321361.db2.gz MPQLZICOXRAJTI-CQSZACIVSA-N 0 3 294.358 2.803 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000128347732 187365983 /nfs/dbraw/zinc/36/59/83/187365983.db2.gz VEGBXDUKJDJIIO-LSDHHAIUSA-N 0 3 286.419 2.945 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000044809437 346398628 /nfs/dbraw/zinc/39/86/28/346398628.db2.gz LAFHHUVJAXIKHC-GDBMZVCRSA-N 0 3 287.407 2.735 20 30 CFEDHN COCCN(Cc1ccccc1C#N)C1CCCC1 ZINC000046600400 346429977 /nfs/dbraw/zinc/42/99/77/346429977.db2.gz SXJWSXDHFBUWTC-UHFFFAOYSA-N 0 3 258.365 2.949 20 30 CFEDHN N#Cc1ccc(N2CCCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000046085760 346419914 /nfs/dbraw/zinc/41/99/14/346419914.db2.gz DJGWSZRGIDJAEF-SFHVURJKSA-N 0 3 299.418 2.639 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CCC[C@@H]3C3CC3)o2)c1 ZINC000075713757 347095005 /nfs/dbraw/zinc/09/50/05/347095005.db2.gz PNYFUPPNDQBHPX-OAHLLOKOSA-N 0 3 294.358 2.983 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC(CC)CC1 ZINC000052279603 346520074 /nfs/dbraw/zinc/52/00/74/346520074.db2.gz ATKVBMHUPUKEAH-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN CC(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000050509371 346495938 /nfs/dbraw/zinc/49/59/38/346495938.db2.gz XGTQXEFBRNQIDB-QZTJIDSGSA-N 0 3 299.418 2.782 20 30 CFEDHN CCCCN(CCCC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000052870312 346531835 /nfs/dbraw/zinc/53/18/35/346531835.db2.gz RYLAEGKIOPWKRV-MRXNPFEDSA-N 0 3 281.444 2.943 20 30 CFEDHN Cc1ccccc1CN1CCN(CCCCC#N)CC1 ZINC000057599344 346631627 /nfs/dbraw/zinc/63/16/27/346631627.db2.gz RUMGTBFNOHSRNB-UHFFFAOYSA-N 0 3 271.408 2.807 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000057881347 346640038 /nfs/dbraw/zinc/64/00/38/346640038.db2.gz HWWFVJGYUFIHMQ-ZDUSSCGKSA-N 0 3 260.381 2.763 20 30 CFEDHN C=C(C)CN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075916796 347109559 /nfs/dbraw/zinc/10/95/59/347109559.db2.gz YTUBJVDHIXZPGP-UHFFFAOYSA-N 0 3 272.348 2.577 20 30 CFEDHN N#Cc1c(Cl)nsc1NCCCN1CCCCC1 ZINC000076519094 347142992 /nfs/dbraw/zinc/14/29/92/347142992.db2.gz AWMWUZZEUYBHGE-UHFFFAOYSA-N 0 3 284.816 2.956 20 30 CFEDHN C=CCCCN(C)Cc1cc(C)c(C(=O)OC)o1 ZINC000076737150 347151317 /nfs/dbraw/zinc/15/13/17/347151317.db2.gz KKRRLLFZEVLNAU-UHFFFAOYSA-N 0 3 251.326 2.773 20 30 CFEDHN C=C(C)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000128482847 187373449 /nfs/dbraw/zinc/37/34/49/187373449.db2.gz XFNRGONSVGNNQA-LLVKDONJSA-N 0 3 265.353 2.939 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000079267626 347295833 /nfs/dbraw/zinc/29/58/33/347295833.db2.gz ANJSNFJRJGKEMJ-LSDHHAIUSA-N 0 3 281.444 2.714 20 30 CFEDHN CCCN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000079830107 347328537 /nfs/dbraw/zinc/32/85/37/347328537.db2.gz HWKZHRSMUONGDO-UHFFFAOYSA-N 0 3 284.816 2.954 20 30 CFEDHN N#CCCCN1CCC(Sc2ccccn2)CC1 ZINC000081600110 347429192 /nfs/dbraw/zinc/42/91/92/347429192.db2.gz FARZPLCRMQDASL-UHFFFAOYSA-N 0 3 261.394 2.942 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000357843760 539562821 /nfs/dbraw/zinc/56/28/21/539562821.db2.gz XTKMRRMMYUCOCA-IUCAKERBSA-N 0 3 268.263 2.625 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2c2snc(Cl)c2C#N)C1 ZINC000092685970 347640646 /nfs/dbraw/zinc/64/06/46/347640646.db2.gz RCLAAGKZCJADQQ-KOLCDFICSA-N 0 3 296.827 2.589 20 30 CFEDHN C[C@@H](CNc1cnccc1C#N)N1CCc2ccccc2C1 ZINC000094134568 347692402 /nfs/dbraw/zinc/69/24/02/347692402.db2.gz FFPAUYQZYNCWDN-AWEZNQCLSA-N 0 3 292.386 2.812 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1 ZINC000668554461 539574060 /nfs/dbraw/zinc/57/40/60/539574060.db2.gz MYRNLEIKWVMCFM-HALDLXJZSA-N 0 3 275.392 2.700 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000668556481 539577117 /nfs/dbraw/zinc/57/71/17/539577117.db2.gz UVNCAZDBZWNADX-SFHVURJKSA-N 0 3 287.403 2.988 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000129839618 347865043 /nfs/dbraw/zinc/86/50/43/347865043.db2.gz GATUQSGWSMQWAS-WFASDCNBSA-N 0 3 272.396 2.711 20 30 CFEDHN COc1cccc([C@H](CNc2cccnc2C#N)N(C)C)c1 ZINC000273939904 192371699 /nfs/dbraw/zinc/37/16/99/192371699.db2.gz DAMXDFMHPXXOHT-KRWDZBQOSA-N 0 3 296.374 2.677 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000172908578 348103671 /nfs/dbraw/zinc/10/36/71/348103671.db2.gz UJNOBZXEUKKLPB-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H](C(F)(F)F)C1 ZINC000246062086 348260576 /nfs/dbraw/zinc/26/05/76/348260576.db2.gz WHDWTIQAZADIGM-GHMZBOCLSA-N 0 3 251.292 2.588 20 30 CFEDHN CCN1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000677194111 539616142 /nfs/dbraw/zinc/61/61/42/539616142.db2.gz HDCSJIPVUBQKKE-AWEZNQCLSA-N 0 3 276.811 2.718 20 30 CFEDHN C[C@H]1SCC[C@H]1NCc1ccc(C#N)cc1F ZINC000310359450 348408732 /nfs/dbraw/zinc/40/87/32/348408732.db2.gz SXTOJYHLUJHDPA-NOZJJQNGSA-N 0 3 250.342 2.681 20 30 CFEDHN CN(C)[C@@H](CNc1ncc(C#N)cc1F)c1cccs1 ZINC000413026914 233006404 /nfs/dbraw/zinc/00/64/04/233006404.db2.gz KIRVUNCNBSMPJP-LBPRGKRZSA-N 0 3 290.367 2.869 20 30 CFEDHN N#CCC1(CN2CCCN(Cc3ccccc3)CC2)CC1 ZINC000323412525 348438416 /nfs/dbraw/zinc/43/84/16/348438416.db2.gz QFRWMQFWARZPHF-UHFFFAOYSA-N 0 3 283.419 2.888 20 30 CFEDHN C=CCCC1(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000354592508 348501583 /nfs/dbraw/zinc/50/15/83/348501583.db2.gz DEZUBMLAIJJFPU-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(c2nc(C)cs2)CC1 ZINC000365041952 348510852 /nfs/dbraw/zinc/51/08/52/348510852.db2.gz JKUZLAHMOAVUOZ-LBPRGKRZSA-N 0 3 278.425 2.702 20 30 CFEDHN CC#CCCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365424535 348511901 /nfs/dbraw/zinc/51/19/01/348511901.db2.gz XCNGAHBDYRYBRI-GJZGRUSLSA-N 0 3 292.423 2.731 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379711823 348522069 /nfs/dbraw/zinc/52/20/69/348522069.db2.gz GXYLOIYBECAXHZ-USXIJHARSA-N 0 3 299.418 2.705 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000383075291 348530983 /nfs/dbraw/zinc/53/09/83/348530983.db2.gz VEDGRQWOHIGYPU-RDJZCZTQSA-N 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/nfs/dbraw/zinc/00/86/04/349008604.db2.gz NDQHOYLTECYXKF-SJLPKXTDSA-N 0 3 299.418 2.832 20 30 CFEDHN CC1(C)C[C@@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000591356715 349011803 /nfs/dbraw/zinc/01/18/03/349011803.db2.gz SGQOIIVBNAYIPO-GFCCVEGCSA-N 0 3 264.756 2.869 20 30 CFEDHN CC1(C)C[C@H](NCc2ccc(C#N)c(Cl)c2)CO1 ZINC000591356716 349011822 /nfs/dbraw/zinc/01/18/22/349011822.db2.gz SGQOIIVBNAYIPO-LBPRGKRZSA-N 0 3 264.756 2.869 20 30 CFEDHN Cc1csc(CCNCc2ccc(C#N)c(F)c2)n1 ZINC000591501000 349027465 /nfs/dbraw/zinc/02/74/65/349027465.db2.gz RFQHTAXPIIACQD-UHFFFAOYSA-N 0 3 275.352 2.795 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000592068499 349078846 /nfs/dbraw/zinc/07/88/46/349078846.db2.gz ZTZKKNDAFSJSMR-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN(CC3=CCCC3)C2)nc1 ZINC000592122503 349086048 /nfs/dbraw/zinc/08/60/48/349086048.db2.gz LDQHWPSHTUSZER-OAHLLOKOSA-N 0 3 269.348 2.517 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCC(C)(C)C ZINC000592144493 349090288 /nfs/dbraw/zinc/09/02/88/349090288.db2.gz JSLJPMYTMXQNJZ-CZUORRHYSA-N 0 3 281.444 2.797 20 30 CFEDHN CN(CCC(C)(C)C)CC(=O)NCc1ccc(C#N)cc1 ZINC000592145359 349090351 /nfs/dbraw/zinc/09/03/51/349090351.db2.gz VZZFPIRRTBUPJI-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN N#CC[C@@]1(O)CCN(CCCc2ccc(Cl)cc2)C1 ZINC000592150278 349091516 /nfs/dbraw/zinc/09/15/16/349091516.db2.gz DDQNXSZPVYHKPH-OAHLLOKOSA-N 0 3 278.783 2.623 20 30 CFEDHN N#CCCCN1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000592169174 349094557 /nfs/dbraw/zinc/09/45/57/349094557.db2.gz XBOCTMYVCSCKPR-IAGOWNOFSA-N 0 3 272.392 2.748 20 30 CFEDHN N#CCCCN1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000592169176 349094741 /nfs/dbraw/zinc/09/47/41/349094741.db2.gz XBOCTMYVCSCKPR-SJORKVTESA-N 0 3 272.392 2.748 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1C1CCC1 ZINC000592199078 349098818 /nfs/dbraw/zinc/09/88/18/349098818.db2.gz WELZQSJPAROAST-ZBFHGGJFSA-N 0 3 291.439 2.649 20 30 CFEDHN CCN(CCSC)Cc1ccc(C#N)c(F)c1 ZINC000592203080 349099985 /nfs/dbraw/zinc/09/99/85/349099985.db2.gz YTDFEXCHRXXWNM-UHFFFAOYSA-N 0 3 252.358 2.882 20 30 CFEDHN C[C@@H]1CC2(CN1Cc1ccc(C#N)o1)CCOCC2 ZINC000592526647 349135932 /nfs/dbraw/zinc/13/59/32/349135932.db2.gz IWTPIZUSULAROG-GFCCVEGCSA-N 0 3 260.337 2.542 20 30 CFEDHN CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)[C@@H](N)CCCC#N)C1 ZINC000592568677 349138105 /nfs/dbraw/zinc/13/81/05/349138105.db2.gz UPEIRBCROGITMV-KFWWJZLASA-N 0 3 291.439 2.682 20 30 CFEDHN CCCCN(C(=O)C(C)C#N)[C@@H]1CCc2ncsc2C1 ZINC000592901647 349176856 /nfs/dbraw/zinc/17/68/56/349176856.db2.gz MPKJUVKXYNRQCS-VXGBXAGGSA-N 0 3 291.420 2.789 20 30 CFEDHN N#Cc1ccc(OCCN2CCC23CCCC3)cc1 ZINC000593040703 349192110 /nfs/dbraw/zinc/19/21/10/349192110.db2.gz ZSKHIDINOQHCDK-UHFFFAOYSA-N 0 3 256.349 2.956 20 30 CFEDHN C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC000593016844 349187866 /nfs/dbraw/zinc/18/78/66/349187866.db2.gz XCTDMBSZUCIICL-GHMZBOCLSA-N 0 3 259.309 2.697 20 30 CFEDHN CC[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593015718 349188170 /nfs/dbraw/zinc/18/81/70/349188170.db2.gz XTZWHXWKBRGPCV-LLVKDONJSA-N 0 3 259.309 2.698 20 30 CFEDHN O=C(NCC1(CO)CCC1)[C@@H]1CCCN1C1CCCC1 ZINC000329760900 539726686 /nfs/dbraw/zinc/72/66/86/539726686.db2.gz QTIUFNXYSGIUHG-AWEZNQCLSA-N 0 3 280.412 2.513 20 30 CFEDHN CC[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)N(CC)CC ZINC000593364472 349253736 /nfs/dbraw/zinc/25/37/36/349253736.db2.gz HAQKUNNNQDCHSP-INIZCTEOSA-N 0 3 285.391 2.521 20 30 CFEDHN CC[C@@H](C#N)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000593447995 349272458 /nfs/dbraw/zinc/27/24/58/349272458.db2.gz KRZFRYRMCCHFMT-DOTOQJQBSA-N 0 3 299.418 2.880 20 30 CFEDHN CCC(C#N)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000593456125 349274757 /nfs/dbraw/zinc/27/47/57/349274757.db2.gz AIZNBNXYRRSECB-NSHDSACASA-N 0 3 259.284 2.622 20 30 CFEDHN CN(C)CCN(Cc1cccs1)C(=O)CCCCC#N ZINC000593989617 349346889 /nfs/dbraw/zinc/34/68/89/349346889.db2.gz UOGZJCPBZZEXQA-UHFFFAOYSA-N 0 3 293.436 2.722 20 30 CFEDHN CC[C@@H](NCCC(=O)N(C)CCC#N)c1ccccc1F ZINC000594019616 349354376 /nfs/dbraw/zinc/35/43/76/349354376.db2.gz PMJWENVHQMZIEA-OAHLLOKOSA-N 0 3 291.370 2.629 20 30 CFEDHN N#CC1(CNC2CCN(c3nccs3)CC2)CCCC1 ZINC000593653440 349305175 /nfs/dbraw/zinc/30/51/75/349305175.db2.gz LLHHCHWWQKQWMC-UHFFFAOYSA-N 0 3 290.436 2.785 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(CCN1CCCCCC1)C1CCC1 ZINC000593707079 349313106 /nfs/dbraw/zinc/31/31/06/349313106.db2.gz AYFCJMVOLKJBJW-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@H](COCC1CC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000593719743 349314693 /nfs/dbraw/zinc/31/46/93/349314693.db2.gz QDSYPRHNQDUFQP-SJKOYZFVSA-N 0 3 270.376 2.950 20 30 CFEDHN N#CCCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594230674 349396672 /nfs/dbraw/zinc/39/66/72/349396672.db2.gz NJOZYVYHSRWALF-KRWDZBQOSA-N 0 3 299.418 2.851 20 30 CFEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594059402 349366951 /nfs/dbraw/zinc/36/69/51/349366951.db2.gz QZIOETNGPKWKMJ-JKSUJKDBSA-N 0 3 298.390 2.697 20 30 CFEDHN Cc1csc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1C#N ZINC000594111064 349380143 /nfs/dbraw/zinc/38/01/43/349380143.db2.gz QHGLZJYHWWXWRK-QWRGUYRKSA-N 0 3 292.408 2.532 20 30 CFEDHN CO[C@@H](C)c1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594437387 349422534 /nfs/dbraw/zinc/42/25/34/349422534.db2.gz LQPGELHIIFINSY-WFASDCNBSA-N 0 3 289.379 2.744 20 30 CFEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594437312 349422651 /nfs/dbraw/zinc/42/26/51/349422651.db2.gz LFQVXLWQSWBNQN-ZBFHGGJFSA-N 0 3 287.407 2.660 20 30 CFEDHN CC[C@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCCC#N ZINC000594445073 349424493 /nfs/dbraw/zinc/42/44/93/349424493.db2.gz OTEBWQOSJDHDHO-SJORKVTESA-N 0 3 299.418 2.934 20 30 CFEDHN CCC[C@@]1(C)CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594445088 349424951 /nfs/dbraw/zinc/42/49/51/349424951.db2.gz OYTWCMDQONONSV-HOCLYGCPSA-N 0 3 279.428 2.826 20 30 CFEDHN Cc1ccc(C2(NC(=O)[C@@H](N)CCCCC#N)CCC2)cc1 ZINC000594449027 349425739 /nfs/dbraw/zinc/42/57/39/349425739.db2.gz CKNRAVHGFRCLTR-INIZCTEOSA-N 0 3 299.418 2.902 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000594450204 349425755 /nfs/dbraw/zinc/42/57/55/349425755.db2.gz UHUNAZODHKKAGT-GJZGRUSLSA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@@H](CCNC(=O)[C@H](N)CCCCC#N)CC(C)(C)C ZINC000594456610 349426314 /nfs/dbraw/zinc/42/63/14/349426314.db2.gz RXQDWFYQFQPYNG-UONOGXRCSA-N 0 3 281.444 2.976 20 30 CFEDHN N#CC1(c2ccc(CN3CCN(C4CC4)CC3)cc2)CC1 ZINC000596983324 350011337 /nfs/dbraw/zinc/01/13/37/350011337.db2.gz VJBZYKNOBDZASM-UHFFFAOYSA-N 0 3 281.403 2.522 20 30 CFEDHN Cc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N2CCCC2)cc1 ZINC000596997590 350014091 /nfs/dbraw/zinc/01/40/91/350014091.db2.gz FDBSEZVZSVFMLJ-RDJZCZTQSA-N 0 3 299.418 2.798 20 30 CFEDHN CN(CCn1cccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597009358 350015223 /nfs/dbraw/zinc/01/52/23/350015223.db2.gz JTRQACASXDQQFB-UHFFFAOYSA-N 0 3 280.375 2.570 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CO[C@H](C2CC2)C1 ZINC000597119811 350032668 /nfs/dbraw/zinc/03/26/68/350032668.db2.gz YTDAYOFMMTULKW-PVAVHDDUSA-N 0 3 268.360 2.703 20 30 CFEDHN CCOCCN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597082534 350026781 /nfs/dbraw/zinc/02/67/81/350026781.db2.gz VQNDFKVHEYLPSQ-UHFFFAOYSA-N 0 3 258.365 2.710 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC2(CC2(F)F)C1 ZINC000594389885 349413647 /nfs/dbraw/zinc/41/36/47/349413647.db2.gz VYCSSEFIZIGPTM-ZDUSSCGKSA-N 0 3 290.313 2.627 20 30 CFEDHN CCN(Cc1cccs1)C(=O)[C@H](N)CCCCC#N ZINC000594425392 349417211 /nfs/dbraw/zinc/41/72/11/349417211.db2.gz IBESBGIZGVRBPQ-CYBMUJFWSA-N 0 3 279.409 2.508 20 30 CFEDHN CC(C)CCC[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594424369 349417317 /nfs/dbraw/zinc/41/73/17/349417317.db2.gz BTKORHKYXPULFY-ZIAGYGMSSA-N 0 3 267.417 2.729 20 30 CFEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594425388 349417331 /nfs/dbraw/zinc/41/73/31/349417331.db2.gz IAGJHIGEUWKYEM-BXUZGUMPSA-N 0 3 293.798 2.928 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@H]1CCCc2ccccc21 ZINC000594427567 349418544 /nfs/dbraw/zinc/41/85/44/349418544.db2.gz VJOFWWBTEZHBNS-IRXDYDNUSA-N 0 3 299.418 2.934 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000594427254 349418606 /nfs/dbraw/zinc/41/86/06/349418606.db2.gz IGLCXPUYDPXINW-QGZVFWFLSA-N 0 3 299.418 2.804 20 30 CFEDHN CC1CCC(N(C(=O)[C@@H](N)CCCCC#N)C2CC2)CC1 ZINC000594427436 349418972 /nfs/dbraw/zinc/41/89/72/349418972.db2.gz IGBUVCSWPBWYPI-XUJLQICISA-N 0 3 291.439 2.967 20 30 CFEDHN CCOc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(C)c1 ZINC000594429666 349419360 /nfs/dbraw/zinc/41/93/60/349419360.db2.gz VIHLBGAYWIRRDT-AWEZNQCLSA-N 0 3 289.379 2.744 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000594429928 349420098 /nfs/dbraw/zinc/42/00/98/349420098.db2.gz WRIHKGACSFXHGP-NVXWUHKLSA-N 0 3 299.418 2.634 20 30 CFEDHN CC(C)(C)C[C@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594431284 349420813 /nfs/dbraw/zinc/42/08/13/349420813.db2.gz KYHLKLOKKTVTFZ-KGLIPLIRSA-N 0 3 279.428 2.825 20 30 CFEDHN CCS[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594433334 349420929 /nfs/dbraw/zinc/42/09/29/349420929.db2.gz NVNUAROKKPQBIS-HZSPNIEDSA-N 0 3 297.468 2.578 20 30 CFEDHN Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](N)CCCCC#N ZINC000594431181 349421028 /nfs/dbraw/zinc/42/10/28/349421028.db2.gz JJGLVFNUVVGUFT-HOTGVXAUSA-N 0 3 285.391 2.510 20 30 CFEDHN CSCc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC000594435606 349421553 /nfs/dbraw/zinc/42/15/53/349421553.db2.gz DCMAQRAKVWCNAQ-CQSZACIVSA-N 0 3 291.420 2.899 20 30 CFEDHN Cc1cc(CNC(=O)[C@@H](N)CCCCC#N)ccc1Cl ZINC000594435388 349421706 /nfs/dbraw/zinc/42/17/06/349421706.db2.gz BYOIBJUOSKOFAK-AWEZNQCLSA-N 0 3 293.798 2.676 20 30 CFEDHN CC(C)(C)c1cnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594435644 349421791 /nfs/dbraw/zinc/42/17/91/349421791.db2.gz DYILLTLWVUCRCW-JTQLQIEISA-N 0 3 294.424 2.790 20 30 CFEDHN CC(C)(C)CCCCNC(=O)[C@H](N)CCCCC#N ZINC000594434976 349421900 /nfs/dbraw/zinc/42/19/00/349421900.db2.gz XWTLYWWHSKPMSO-CYBMUJFWSA-N 0 3 267.417 2.730 20 30 CFEDHN COC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000597154220 350040330 /nfs/dbraw/zinc/04/03/30/350040330.db2.gz AIOKRHQUWPKWIX-CMPLNLGQSA-N 0 3 292.766 2.908 20 30 CFEDHN C=CCC1(NCc2cc(C(=O)OC)oc2C)CCOCC1 ZINC000597207923 350055890 /nfs/dbraw/zinc/05/58/90/350055890.db2.gz WZIFUQRMUBZQCY-UHFFFAOYSA-N 0 3 293.363 2.590 20 30 CFEDHN N#Cc1cnn2cc(CN(CCC3CC3)CC3CC3)cnc12 ZINC000597233755 350066539 /nfs/dbraw/zinc/06/65/39/350066539.db2.gz OOUWTLIRJCBSRX-UHFFFAOYSA-N 0 3 295.390 2.613 20 30 CFEDHN C[C@@H](O)C1(NCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000597235540 350067270 /nfs/dbraw/zinc/06/72/70/350067270.db2.gz YYYWQDDMASJKOA-SECBINFHSA-N 0 3 284.281 2.580 20 30 CFEDHN C[C@@H](CC#N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000597328037 350084109 /nfs/dbraw/zinc/08/41/09/350084109.db2.gz IWLNZPSXWYNHKH-DOTOQJQBSA-N 0 3 299.418 2.659 20 30 CFEDHN Cc1ccccc1NC1(CNC(=O)C(C)C#N)CCCC1 ZINC000597727272 350128753 /nfs/dbraw/zinc/12/87/53/350128753.db2.gz HDWPCGWXOZHLEB-CQSZACIVSA-N 0 3 285.391 2.996 20 30 CFEDHN C[C@H](CC#N)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000597734810 350130342 /nfs/dbraw/zinc/13/03/42/350130342.db2.gz DJWKKUWZEBOHOR-HZPDHXFCSA-N 0 3 299.418 2.517 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000597849786 350142203 /nfs/dbraw/zinc/14/22/03/350142203.db2.gz AGMYIWMJVCDIMB-ZFWWWQNUSA-N 0 3 286.375 2.556 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000597849784 350142216 /nfs/dbraw/zinc/14/22/16/350142216.db2.gz AGMYIWMJVCDIMB-HIFRSBDPSA-N 0 3 286.375 2.556 20 30 CFEDHN C=CCCSCCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000597972727 350167176 /nfs/dbraw/zinc/16/71/76/350167176.db2.gz PJYOEAJKAMWVRZ-CQSZACIVSA-N 0 3 284.469 2.676 20 30 CFEDHN CC[C@H](C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000597977952 350170423 /nfs/dbraw/zinc/17/04/23/350170423.db2.gz MGBDTCZNOOZTMJ-XJKSGUPXSA-N 0 3 283.375 2.793 20 30 CFEDHN CC(C#N)C(=O)N1CC(Oc2cccc(Cl)c2Cl)C1 ZINC000598063675 350183741 /nfs/dbraw/zinc/18/37/41/350183741.db2.gz FFQJAMRDOQYKIX-QMMMGPOBSA-N 0 3 299.157 2.743 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CCC2)cc1 ZINC000598214959 350216589 /nfs/dbraw/zinc/21/65/89/350216589.db2.gz DOBMDDCRDBGJDF-KRWDZBQOSA-N 0 3 295.386 2.937 20 30 CFEDHN CN(CC1=CCCOC1)C(=O)C(C#N)CCc1ccccc1 ZINC000598198182 350211861 /nfs/dbraw/zinc/21/18/61/350211861.db2.gz XNUUEJFOYQBBJF-QGZVFWFLSA-N 0 3 298.386 2.564 20 30 CFEDHN CC(C)[C@@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CCN1 ZINC000598572102 350284388 /nfs/dbraw/zinc/28/43/88/350284388.db2.gz KZARNIVUYVBGLH-INIZCTEOSA-N 0 3 299.418 2.558 20 30 CFEDHN CC(C)[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CCN1 ZINC000598574568 350284663 /nfs/dbraw/zinc/28/46/63/350284663.db2.gz RUGYHCJQTGWARR-DLBZAZTESA-N 0 3 299.418 2.530 20 30 CFEDHN CC1(C)CC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598504635 350277620 /nfs/dbraw/zinc/27/76/20/350277620.db2.gz KQHMAKQCZHDFLB-CQSZACIVSA-N 0 3 281.359 2.545 20 30 CFEDHN CC[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H](C)N1 ZINC000598531563 350279835 /nfs/dbraw/zinc/27/98/35/350279835.db2.gz KTHPXVRHLZCNOI-BHYGNILZSA-N 0 3 299.418 2.673 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598623323 350296601 /nfs/dbraw/zinc/29/66/01/350296601.db2.gz WICPCKZGCVTLEZ-XJKSGUPXSA-N 0 3 285.391 2.852 20 30 CFEDHN CC1(C)CC[C@@H](CO)N(Cc2ccc(C#N)cc2)C1 ZINC000598646340 350301422 /nfs/dbraw/zinc/30/14/22/350301422.db2.gz FMSGYQPJBHGXDE-HNNXBMFYSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651827 350303208 /nfs/dbraw/zinc/30/32/08/350303208.db2.gz WGBTYRKQBYVZNM-XJKCOSOUSA-N 0 3 258.365 2.570 20 30 CFEDHN Cc1ccccc1CC1CN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598701472 350312641 /nfs/dbraw/zinc/31/26/41/350312641.db2.gz LBCVMZOZUHMVDL-QGZVFWFLSA-N 0 3 286.419 2.770 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC(C2CCCCC2)C1 ZINC000598706672 350314621 /nfs/dbraw/zinc/31/46/21/350314621.db2.gz TUIUZMQWOQGTQV-OAHLLOKOSA-N 0 3 264.413 2.799 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(F)c(Cl)c1 ZINC000598718449 350317391 /nfs/dbraw/zinc/31/73/91/350317391.db2.gz BKKOVAMYQQNRMO-LLVKDONJSA-N 0 3 284.762 2.869 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCOc2ccc(F)cc21 ZINC000598722018 350318882 /nfs/dbraw/zinc/31/88/82/350318882.db2.gz YJRYOPRZXRFISB-OCCSQVGLSA-N 0 3 292.354 2.540 20 30 CFEDHN C[C@@H](c1ccco1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598586596 350286460 /nfs/dbraw/zinc/28/64/60/350286460.db2.gz ISSVEXYSVXVFJT-RYUDHWBXSA-N 0 3 250.342 2.573 20 30 CFEDHN Cc1ccc(CN(C[C@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598586392 350286486 /nfs/dbraw/zinc/28/64/86/350286486.db2.gz SOIUDIZIJKGJME-CQSZACIVSA-N 0 3 276.380 2.853 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN(CCC(F)(F)F)CC1CC1 ZINC000598592865 350288279 /nfs/dbraw/zinc/28/82/79/350288279.db2.gz MIVHJWVQFVNOLW-LBPRGKRZSA-N 0 3 292.345 2.952 20 30 CFEDHN C[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000598591960 350288420 /nfs/dbraw/zinc/28/84/20/350288420.db2.gz CSKKWCOZMIGUCG-BMFZPTHFSA-N 0 3 272.392 2.980 20 30 CFEDHN C[C@H]1Cc2ccccc2CN1C[C@H](O)CC(C)(C)C#N ZINC000598592374 350288509 /nfs/dbraw/zinc/28/85/09/350288509.db2.gz KCRIDFNQCVPYNZ-XJKSGUPXSA-N 0 3 272.392 2.734 20 30 CFEDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)CC(C)(C)C#N)n1 ZINC000598594239 350289113 /nfs/dbraw/zinc/28/91/13/350289113.db2.gz ZZOKJULYVAJDPQ-ZBFHGGJFSA-N 0 3 287.407 2.828 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCOC2(C1)CCCCCC2 ZINC000598593884 350289129 /nfs/dbraw/zinc/28/91/29/350289129.db2.gz XXAMNJJIBJCYHT-HNNXBMFYSA-N 0 3 294.439 2.712 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNC1(c2nccs2)CCCC1 ZINC000598597014 350290100 /nfs/dbraw/zinc/29/01/00/350290100.db2.gz CERGVCAMGFCIIZ-GFCCVEGCSA-N 0 3 293.436 2.803 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1cccnc1 ZINC000598598943 350290867 /nfs/dbraw/zinc/29/08/67/350290867.db2.gz JZAYMDAXHUJDKS-GJZGRUSLSA-N 0 3 273.380 2.519 20 30 CFEDHN COc1ccccc1[C@@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598601764 350291795 /nfs/dbraw/zinc/29/17/95/350291795.db2.gz VXOPLRNTDWXKGR-OLZOCXBDSA-N 0 3 276.380 2.647 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc(C#N)c1 ZINC000598602911 350291799 /nfs/dbraw/zinc/29/17/99/350291799.db2.gz QUKGHQUSAGKZLR-IUODEOHRSA-N 0 3 271.364 2.510 20 30 CFEDHN COc1ccccc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598601763 350292083 /nfs/dbraw/zinc/29/20/83/350292083.db2.gz VXOPLRNTDWXKGR-CHWSQXEVSA-N 0 3 276.380 2.647 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000598615801 350293357 /nfs/dbraw/zinc/29/33/57/350293357.db2.gz LKLNNJCSEXAFQN-MNOVXSKESA-N 0 3 292.345 2.950 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000598615808 350293430 /nfs/dbraw/zinc/29/34/30/350293430.db2.gz LKLNNJCSEXAFQN-QWRGUYRKSA-N 0 3 292.345 2.950 20 30 CFEDHN COCC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598612990 350293562 /nfs/dbraw/zinc/29/35/62/350293562.db2.gz UJLZZVODXMXGQJ-KGLIPLIRSA-N 0 3 294.395 2.556 20 30 CFEDHN C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598613180 350293581 /nfs/dbraw/zinc/29/35/81/350293581.db2.gz HFGJXLFNIMNAQR-VWYCJHECSA-N 0 3 278.318 2.560 20 30 CFEDHN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1c(C)noc1C ZINC000598612119 350293614 /nfs/dbraw/zinc/29/36/14/350293614.db2.gz LLPIVPBTTJFKAK-STQMWFEESA-N 0 3 279.384 2.633 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(CC(F)(F)F)CC1 ZINC000598613431 350293753 /nfs/dbraw/zinc/29/37/53/350293753.db2.gz GTXPLUAIRWKULF-LBPRGKRZSA-N 0 3 292.345 2.952 20 30 CFEDHN COCC#CCN1CCC(c2cccc(OC)c2)CC1 ZINC000677818920 539793392 /nfs/dbraw/zinc/79/33/92/539793392.db2.gz YIEWWZFRYMRLCG-UHFFFAOYSA-N 0 3 273.376 2.524 20 30 CFEDHN CC1CC(CNC(=O)C(C#N)CCc2ccccc2)C1 ZINC000598904623 350346286 /nfs/dbraw/zinc/34/62/86/350346286.db2.gz BTNMTKHDSAIEEN-BCLQGDPASA-N 0 3 270.376 2.921 20 30 CFEDHN Cc1cccc2c1C[C@@H](NCc1ccc(C#N)cc1)CO2 ZINC000598987172 350354173 /nfs/dbraw/zinc/35/41/73/350354173.db2.gz OCIKHTSSJYLNKL-MRXNPFEDSA-N 0 3 278.355 2.960 20 30 CFEDHN CCC[C@@H](CNCc1cc(C#N)cs1)OCC ZINC000598989761 350354889 /nfs/dbraw/zinc/35/48/89/350354889.db2.gz SXBGKBRAZZBGKF-LBPRGKRZSA-N 0 3 252.383 2.915 20 30 CFEDHN Cc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)ccc1C#N ZINC000599011020 350358304 /nfs/dbraw/zinc/35/83/04/350358304.db2.gz WNCKBUXGAJRNIC-HOTGVXAUSA-N 0 3 256.349 2.524 20 30 CFEDHN CCO[C@@H](CN(C)Cc1cccc(C#N)c1)C1CC1 ZINC000599258047 350400223 /nfs/dbraw/zinc/40/02/23/350400223.db2.gz DVQDUEMCKVJJIF-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599421433 350433570 /nfs/dbraw/zinc/43/35/70/350433570.db2.gz MWCKADQSVJYOJB-QGZVFWFLSA-N 0 3 272.392 2.851 20 30 CFEDHN Cc1cnn([C@@H]2CCN(Cc3ccc(C)c(C#N)c3)C2)c1 ZINC000599424321 350434811 /nfs/dbraw/zinc/43/48/11/350434811.db2.gz OKHCRXWVCVVFGM-QGZVFWFLSA-N 0 3 280.375 2.819 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599436086 350437686 /nfs/dbraw/zinc/43/76/86/350437686.db2.gz FQWUGUFRMHQPOJ-KRWDZBQOSA-N 0 3 286.375 2.642 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599298323 350409217 /nfs/dbraw/zinc/40/92/17/350409217.db2.gz VNVDNKCHPQPSSY-DLBZAZTESA-N 0 3 272.392 2.992 20 30 CFEDHN Cc1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1C#N ZINC000599303924 350410157 /nfs/dbraw/zinc/41/01/57/350410157.db2.gz HUZSIGSSUQDERG-MRXNPFEDSA-N 0 3 294.402 2.665 20 30 CFEDHN Cc1cccnc1[C@@H](NC[C@H](O)CC1(C#N)CC1)C(C)C ZINC000599327447 350414522 /nfs/dbraw/zinc/41/45/22/350414522.db2.gz IIPRXMSQSGRMNK-CABCVRRESA-N 0 3 287.407 2.732 20 30 CFEDHN Cc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1C#N ZINC000599335203 350416476 /nfs/dbraw/zinc/41/64/76/350416476.db2.gz PHLORJJOFVQICP-IBGZPJMESA-N 0 3 292.382 2.790 20 30 CFEDHN Cc1ccc(CN2CCC[C@H]2C[C@H](C)O)cc1C#N ZINC000599337251 350417618 /nfs/dbraw/zinc/41/76/18/350417618.db2.gz YJNLGBLFTBOUMY-BBRMVZONSA-N 0 3 258.365 2.602 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599350433 350420381 /nfs/dbraw/zinc/42/03/81/350420381.db2.gz SGARPBMKDYDANI-UONOGXRCSA-N 0 3 288.391 2.709 20 30 CFEDHN Cc1ccc(CN[C@H](C(=O)N2CCCC2)C(C)C)cc1C#N ZINC000599356983 350422760 /nfs/dbraw/zinc/42/27/60/350422760.db2.gz PVQXDUVUZCWGKI-KRWDZBQOSA-N 0 3 299.418 2.603 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599380343 350427035 /nfs/dbraw/zinc/42/70/35/350427035.db2.gz ZYEVMNKIQRCNHM-QGZVFWFLSA-N 0 3 272.392 2.851 20 30 CFEDHN Cc1ccc(CN(CC(C)(C)O)C2CC2)cc1C#N ZINC000599382037 350427044 /nfs/dbraw/zinc/42/70/44/350427044.db2.gz RQWDRMLESUYXHE-UHFFFAOYSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)cc1C#N ZINC000599388197 350429528 /nfs/dbraw/zinc/42/95/28/350429528.db2.gz DBRJZMYXWPDNMM-INIZCTEOSA-N 0 3 278.355 2.829 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599398563 350431757 /nfs/dbraw/zinc/43/17/57/350431757.db2.gz ZDOHHFQEICNEIV-XJKSGUPXSA-N 0 3 258.365 2.866 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccccc2C(=O)OC)C1 ZINC000599529589 350451460 /nfs/dbraw/zinc/45/14/60/350451460.db2.gz OISGDOGIWWGQON-ZDUSSCGKSA-N 0 3 259.349 2.871 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccccc2C(=O)OC)C1 ZINC000599529588 350451521 /nfs/dbraw/zinc/45/15/21/350451521.db2.gz OISGDOGIWWGQON-CYBMUJFWSA-N 0 3 259.349 2.871 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)cc2OC)C1 ZINC000599529885 350451750 /nfs/dbraw/zinc/45/17/50/350451750.db2.gz RJYROHQORMZYBO-ZDUSSCGKSA-N 0 3 256.349 2.965 20 30 CFEDHN C[C@@H](CN(C)CC(=O)NC1(C#N)CCC1)C1CCCCC1 ZINC000599633037 350469111 /nfs/dbraw/zinc/46/91/11/350469111.db2.gz KQYACTBTKBLIHW-AWEZNQCLSA-N 0 3 291.439 2.697 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1ccc(C#N)s1 ZINC000599672586 350477286 /nfs/dbraw/zinc/47/72/86/350477286.db2.gz GYAFCPOSQZWESO-UHFFFAOYSA-N 0 3 252.383 2.603 20 30 CFEDHN CCCCOCCN1CCc2c(CC#N)cccc2C1 ZINC000599679591 350480902 /nfs/dbraw/zinc/48/09/02/350480902.db2.gz VOIDVCYAEIQTGH-UHFFFAOYSA-N 0 3 272.392 2.927 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c(Cl)c1 ZINC000599685470 350482325 /nfs/dbraw/zinc/48/23/25/350482325.db2.gz YALIJAGKHVARIY-NILFDRSVSA-N 0 3 276.767 2.557 20 30 CFEDHN CSc1cc(C)ccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600732081 350602888 /nfs/dbraw/zinc/60/28/88/350602888.db2.gz WRIOHEYNWBELIY-AWEZNQCLSA-N 0 3 290.432 2.861 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2ccc(C(F)(F)F)cc2)CC1 ZINC000600719712 350600705 /nfs/dbraw/zinc/60/07/05/350600705.db2.gz VXRIEVHHRRJJMG-ZDUSSCGKSA-N 0 3 298.308 2.850 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000600763218 350607137 /nfs/dbraw/zinc/60/71/37/350607137.db2.gz KEIJHXPAGGHFAI-QMMMGPOBSA-N 0 3 293.729 2.779 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)o2)c2ccccc2CN1 ZINC000600770191 350607679 /nfs/dbraw/zinc/60/76/79/350607679.db2.gz WHBCHBZMUUTNCQ-LBPRGKRZSA-N 0 3 267.332 2.650 20 30 CFEDHN Cc1ccc(-c2nc3c(s2)CNCC3)cc1C#N ZINC000600795574 350614111 /nfs/dbraw/zinc/61/41/11/350614111.db2.gz ZFTYFYVUPFRLQQ-UHFFFAOYSA-N 0 3 255.346 2.636 20 30 CFEDHN N#Cc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000109795574 186273010 /nfs/dbraw/zinc/27/30/10/186273010.db2.gz KXTXKNRWOXXWGF-UHFFFAOYSA-N 0 3 266.348 2.592 20 30 CFEDHN COc1ccc2c(c1)CC[C@@H]2NCC1(CC#N)CC1 ZINC000601280947 350716511 /nfs/dbraw/zinc/71/65/11/350716511.db2.gz UZVKVLVLZALXCY-HNNXBMFYSA-N 0 3 256.349 2.966 20 30 CFEDHN CCC[C@H](NC1CCN(CC#N)CC1)c1cc(C)ccn1 ZINC000601267625 350712968 /nfs/dbraw/zinc/71/29/68/350712968.db2.gz OTIPGZYMGXDOMS-INIZCTEOSA-N 0 3 286.423 2.809 20 30 CFEDHN CC[C@H](N[C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601301260 350719723 /nfs/dbraw/zinc/71/97/23/350719723.db2.gz WMOVXHZOMYSKSI-TVYUQYBPSA-N 0 3 286.297 2.911 20 30 CFEDHN CCCC1CCC(N2CCN(CCC#N)CC2)CC1 ZINC000601314771 350721294 /nfs/dbraw/zinc/72/12/94/350721294.db2.gz QFCCFZVBLZCOGZ-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000601567099 350741048 /nfs/dbraw/zinc/74/10/48/350741048.db2.gz QGIMVHZKVRNLSX-ZFWWWQNUSA-N 0 3 286.379 2.610 20 30 CFEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601726077 350769142 /nfs/dbraw/zinc/76/91/42/350769142.db2.gz FQCIISDYNAAZOX-DOTOQJQBSA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000601855104 350792275 /nfs/dbraw/zinc/79/22/75/350792275.db2.gz NGNDLMBUSSCZOL-HNNXBMFYSA-N 0 3 282.343 2.977 20 30 CFEDHN C[C@H](CC1CCC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000601869803 350795564 /nfs/dbraw/zinc/79/55/64/350795564.db2.gz KZLNDTXFOMMWBZ-CXAGYDPISA-N 0 3 295.386 2.935 20 30 CFEDHN N#Cc1c(F)cccc1CNCCCc1nccs1 ZINC000602009546 350829636 /nfs/dbraw/zinc/82/96/36/350829636.db2.gz XNGQYKLEXCJUHZ-UHFFFAOYSA-N 0 3 275.352 2.876 20 30 CFEDHN C[C@@H](C[C@H]1CCOC1)NCc1cccc(F)c1C#N ZINC000602010789 350830412 /nfs/dbraw/zinc/83/04/12/350830412.db2.gz DRARVWPGPSMSFY-NWDGAFQWSA-N 0 3 262.328 2.602 20 30 CFEDHN COCCC(C)(C)NCc1cccc(F)c1C#N ZINC000602014737 350831413 /nfs/dbraw/zinc/83/14/13/350831413.db2.gz WFQPPCJHDWBDNA-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN N#Cc1c(F)cccc1CNCCN1CCCCCC1 ZINC000601999899 350826800 /nfs/dbraw/zinc/82/68/00/350826800.db2.gz XQAHDRJQCQUGBF-UHFFFAOYSA-N 0 3 275.371 2.663 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602483850 350901882 /nfs/dbraw/zinc/90/18/82/350901882.db2.gz JKIZIASPZXAHMS-HOTGVXAUSA-N 0 3 285.391 2.733 20 30 CFEDHN C[C@H]1CC[C@@]2(CCN(Cc3cccc(C#N)n3)C2)C1 ZINC000602595890 350939654 /nfs/dbraw/zinc/93/96/54/350939654.db2.gz FWVGOOFVGWFTQI-XJKSGUPXSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@H]1CC[C@]2(CCN(Cc3cccc(C#N)n3)C2)C1 ZINC000602595887 350939766 /nfs/dbraw/zinc/93/97/66/350939766.db2.gz FWVGOOFVGWFTQI-BBRMVZONSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@H](CCc1ccco1)NCc1cccc(C#N)n1 ZINC000602500977 350906102 /nfs/dbraw/zinc/90/61/02/350906102.db2.gz BWMGXVMLJWQTHB-GFCCVEGCSA-N 0 3 255.321 2.657 20 30 CFEDHN C[C@@H](CCC#N)CN[C@@H](C)c1nnc2n1CCCCC2 ZINC000602511754 350910125 /nfs/dbraw/zinc/91/01/25/350910125.db2.gz QTWWQLGIDROJBX-STQMWFEESA-N 0 3 275.400 2.595 20 30 CFEDHN C[C@@H](Cc1cccs1)NCc1cccc(C#N)n1 ZINC000602510317 350910560 /nfs/dbraw/zinc/91/05/60/350910560.db2.gz LYLPXNCEFRGIMU-NSHDSACASA-N 0 3 257.362 2.736 20 30 CFEDHN COc1ccc(CCCNCc2cccc(C#N)n2)cc1 ZINC000602518919 350913112 /nfs/dbraw/zinc/91/31/12/350913112.db2.gz TYGWRLVCEWSKEC-UHFFFAOYSA-N 0 3 281.359 2.684 20 30 CFEDHN Cc1ccc(OCCCNCc2cccc(C#N)n2)cc1 ZINC000602528997 350915784 /nfs/dbraw/zinc/91/57/84/350915784.db2.gz DGUCRLGCJMTEOA-UHFFFAOYSA-N 0 3 281.359 2.820 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CNC(C)C ZINC000602532315 350915956 /nfs/dbraw/zinc/91/59/56/350915956.db2.gz SXCAENLPACVKTG-UHFFFAOYSA-N 0 3 287.407 2.541 20 30 CFEDHN CC[C@H](CCc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000602534239 350916795 /nfs/dbraw/zinc/91/67/95/350916795.db2.gz HSVKWHQZFHUEMG-HZPDHXFCSA-N 0 3 287.407 2.535 20 30 CFEDHN COc1cccc(OCCCNCc2cccc(C#N)n2)c1 ZINC000602550396 350921449 /nfs/dbraw/zinc/92/14/49/350921449.db2.gz CHIRKSZVLDYFSF-UHFFFAOYSA-N 0 3 297.358 2.521 20 30 CFEDHN C[C@H](CNCc1cccc(C#N)n1)Oc1cccc(F)c1 ZINC000602557405 350923789 /nfs/dbraw/zinc/92/37/89/350923789.db2.gz JTUNPLYLJRXCJL-GFCCVEGCSA-N 0 3 285.322 2.649 20 30 CFEDHN Cc1ccc2[nH]c(CNC[C@H](C)CCC#N)nc2c1 ZINC000602561979 350925365 /nfs/dbraw/zinc/92/53/65/350925365.db2.gz ULLREECWDUEFLY-GFCCVEGCSA-N 0 3 256.353 2.901 20 30 CFEDHN Cc1ccc2nc(CNC[C@H](C)CCC#N)[nH]c2c1 ZINC000602561979 350925368 /nfs/dbraw/zinc/92/53/68/350925368.db2.gz ULLREECWDUEFLY-GFCCVEGCSA-N 0 3 256.353 2.901 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCCC(F)(F)C2)n1 ZINC000602567566 350927690 /nfs/dbraw/zinc/92/76/90/350927690.db2.gz GSUDYCQSGXOXMC-SNVBAGLBSA-N 0 3 251.280 2.621 20 30 CFEDHN N#Cc1cccc(CNCCCc2cccs2)n1 ZINC000602575454 350929886 /nfs/dbraw/zinc/92/98/86/350929886.db2.gz IKGAHWPCTUSTTH-UHFFFAOYSA-N 0 3 257.362 2.737 20 30 CFEDHN CCC1(CC)[C@H](NCc2cccc(C#N)n2)[C@H](C)[C@H]1OC ZINC000602582816 350934293 /nfs/dbraw/zinc/93/42/93/350934293.db2.gz OWWOQEVXRHHLBQ-APHBMKBZSA-N 0 3 287.407 2.883 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000602439451 350883699 /nfs/dbraw/zinc/88/36/99/350883699.db2.gz CWUHKVMXVJXLFX-HNNXBMFYSA-N 0 3 289.398 2.883 20 30 CFEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C[C@H](C)CCC#N ZINC000602475800 350897103 /nfs/dbraw/zinc/89/71/03/350897103.db2.gz KSJJZPBFHIFZAE-BMFZPTHFSA-N 0 3 279.428 2.648 20 30 CFEDHN C[C@@H](CCC#N)CN1CCOC2(CCCCC2)C1 ZINC000602475589 350897482 /nfs/dbraw/zinc/89/74/82/350897482.db2.gz LDKMJOOPARRTIP-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN N#Cc1cccc(CN[C@H]2C[C@H](c3ccccc3)C2)n1 ZINC000602645112 350959856 /nfs/dbraw/zinc/95/98/56/350959856.db2.gz HBTDBQAWSFOGHU-CZIWCDLHSA-N 0 3 263.344 2.989 20 30 CFEDHN C[C@@H](CCC#N)CN1CCCC[C@@H]1c1ccnn1C ZINC000602646246 350959978 /nfs/dbraw/zinc/95/99/78/350959978.db2.gz BRSWFGPWUGFYRM-DZGCQCFKSA-N 0 3 260.385 2.887 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000602651380 350961937 /nfs/dbraw/zinc/96/19/37/350961937.db2.gz IGCYPLSRETXXPS-FUHWJXTLSA-N 0 3 285.435 2.785 20 30 CFEDHN N#Cc1cccc(CNCC2CCC(F)(F)CC2)n1 ZINC000602655134 350962517 /nfs/dbraw/zinc/96/25/17/350962517.db2.gz ZKKLVZUKWFFLTJ-UHFFFAOYSA-N 0 3 265.307 2.868 20 30 CFEDHN CC(=O)NCCN(Cc1ccsc1)C[C@@H](C)CCC#N ZINC000602656591 350963368 /nfs/dbraw/zinc/96/33/68/350963368.db2.gz BXFRMKYLRFPRLE-ZDUSSCGKSA-N 0 3 293.436 2.626 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cnn2ccccc12 ZINC000602664895 350967152 /nfs/dbraw/zinc/96/71/52/350967152.db2.gz WLJMAIRJNWFRLB-AWEZNQCLSA-N 0 3 298.390 2.523 20 30 CFEDHN Cc1ccccc1CCN(C)Cc1cccc(C#N)n1 ZINC000602672653 350970998 /nfs/dbraw/zinc/97/09/98/350970998.db2.gz DMXVXFSMSBWQNU-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN CO[C@@](C)(CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602677277 350973757 /nfs/dbraw/zinc/97/37/57/350973757.db2.gz XENKVEZVHSDDFB-KRWDZBQOSA-N 0 3 281.359 2.605 20 30 CFEDHN CSCC1CCC(NCc2cccc(C#N)n2)CC1 ZINC000602679206 350974888 /nfs/dbraw/zinc/97/48/88/350974888.db2.gz PQVCHUKXTITGOM-UHFFFAOYSA-N 0 3 275.421 2.965 20 30 CFEDHN C[C@@H](CCC#N)CN[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000602690695 350980301 /nfs/dbraw/zinc/98/03/01/350980301.db2.gz MIRJYSZEQNTFSQ-VHRBIJSZSA-N 0 3 294.420 2.851 20 30 CFEDHN CC(C)(CC#N)CNCc1ccccc1OCCCCO ZINC000602690271 350980526 /nfs/dbraw/zinc/98/05/26/350980526.db2.gz HXXRJIQTOPFPID-UHFFFAOYSA-N 0 3 290.407 2.867 20 30 CFEDHN N#CC1CCC(N[C@@H](CCO)c2ccccc2F)CC1 ZINC000602696170 350984000 /nfs/dbraw/zinc/98/40/00/350984000.db2.gz JBHAONBXTFJJRU-ZUEPYMLJSA-N 0 3 276.355 2.921 20 30 CFEDHN COc1ccccc1N1CCC(NCC2(C#N)CCC2)CC1 ZINC000602700950 350986581 /nfs/dbraw/zinc/98/65/81/350986581.db2.gz YBQMFTISCVUFHF-UHFFFAOYSA-N 0 3 299.418 2.947 20 30 CFEDHN N#Cc1ccc(CCNCc2cc(C3CC3)no2)cc1 ZINC000602706599 350990662 /nfs/dbraw/zinc/99/06/62/350990662.db2.gz RISIVGBVMWBENQ-UHFFFAOYSA-N 0 3 267.332 2.756 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCC3(CCCC3)O2)n1 ZINC000602707231 350991278 /nfs/dbraw/zinc/99/12/78/350991278.db2.gz FDBBWVDHMQBRHX-OAHLLOKOSA-N 0 3 271.364 2.535 20 30 CFEDHN COc1cccc(OC)c1CNC[C@@H](C)CCC#N ZINC000602712326 350994521 /nfs/dbraw/zinc/99/45/21/350994521.db2.gz ZGJWBOCOZSMODN-LBPRGKRZSA-N 0 3 262.353 2.733 20 30 CFEDHN Cc1ccc(C(C)(C)CNCc2cccc(C#N)n2)nc1 ZINC000602722408 351000719 /nfs/dbraw/zinc/00/07/19/351000719.db2.gz CZHCCAJOZNXZMZ-UHFFFAOYSA-N 0 3 280.375 2.724 20 30 CFEDHN COc1ccc2c(c1)CC[C@@H](NCc1cccc(C#N)n1)C2 ZINC000602607341 350943935 /nfs/dbraw/zinc/94/39/35/350943935.db2.gz INJPPUIGIDLCLY-OAHLLOKOSA-N 0 3 293.370 2.609 20 30 CFEDHN COc1ccc2c(c1)nc(CNC[C@@H](C)CCC#N)n2C ZINC000602620038 350949248 /nfs/dbraw/zinc/94/92/48/350949248.db2.gz SDVMDABGXIJYBS-LBPRGKRZSA-N 0 3 286.379 2.611 20 30 CFEDHN C[C@H](CCC#N)CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000602633160 350954054 /nfs/dbraw/zinc/95/40/54/350954054.db2.gz LLTZZVCQGHTVSO-WOPDTQHZSA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1ccnc(-c2nnc([C@@H](C)[NH2+]C[C@H](C)CCC#N)[n-]2)c1 ZINC000602638745 350957347 /nfs/dbraw/zinc/95/73/47/350957347.db2.gz HRASSCHCYJQHGY-CHWSQXEVSA-N 0 3 298.394 2.766 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)CC2(CC#N)CC2)C12CCC2 ZINC000602789183 351026359 /nfs/dbraw/zinc/02/63/59/351026359.db2.gz VJGOMYOGIHUBLP-KBPBESRZSA-N 0 3 262.397 2.960 20 30 CFEDHN N#CCC1(CN(Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000602799658 351030652 /nfs/dbraw/zinc/03/06/52/351030652.db2.gz KOLFNCQKKUQWAZ-QGZVFWFLSA-N 0 3 284.403 2.953 20 30 CFEDHN C=CC[C@@H]1N(Cc2cn(C)nc2[N+](=O)[O-])CCCC1(C)C ZINC000602817527 351035647 /nfs/dbraw/zinc/03/56/47/351035647.db2.gz ISOMSFXPHYYUBR-ZDUSSCGKSA-N 0 3 292.383 2.895 20 30 CFEDHN N#CCC1(CN2CCC(CO)(c3ccccc3)CC2)CC1 ZINC000602840440 351042168 /nfs/dbraw/zinc/04/21/68/351042168.db2.gz NBXPZFZWFDWDQG-UHFFFAOYSA-N 0 3 284.403 2.706 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C)C[C@H](C)N1CC#N ZINC000602853534 351046221 /nfs/dbraw/zinc/04/62/21/351046221.db2.gz JRUWGJZONKBGDR-OKILXGFUSA-N 0 3 251.418 2.731 20 30 CFEDHN CN1CCN(CCc2ccc(C#N)cc2)C[C@H]1C(C)(C)C ZINC000602873805 351054971 /nfs/dbraw/zinc/05/49/71/351054971.db2.gz LPFCSMHBWWHPLD-KRWDZBQOSA-N 0 3 285.435 2.763 20 30 CFEDHN N#Cc1ccc(C2CCN(CCc3cccnc3)CC2)nc1 ZINC000602907261 351063033 /nfs/dbraw/zinc/06/30/33/351063033.db2.gz REIMLCVSDPDWPS-UHFFFAOYSA-N 0 3 292.386 2.770 20 30 CFEDHN CC[C@H]1CCCC[C@@H]1CN1CCN(CCC#N)CC1 ZINC000602749140 351013692 /nfs/dbraw/zinc/01/36/92/351013692.db2.gz YNHDCSFQAGLZBT-JKSUJKDBSA-N 0 3 263.429 2.734 20 30 CFEDHN CN(CCCC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602979921 351080991 /nfs/dbraw/zinc/08/09/91/351080991.db2.gz JEKJRLINGBORCC-CABCVRRESA-N 0 3 250.386 2.817 20 30 CFEDHN Cc1nccn1CCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602979531 351081302 /nfs/dbraw/zinc/08/13/02/351081302.db2.gz FJWQAPJHTHAFFV-GJZGRUSLSA-N 0 3 260.385 2.596 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000602991602 351086678 /nfs/dbraw/zinc/08/66/78/351086678.db2.gz JGVWCRYENKDIBD-ZJUUUORDSA-N 0 3 259.309 2.876 20 30 CFEDHN CC1(F)CCN(CCOc2ccccc2C#N)CC1 ZINC000602993125 351087359 /nfs/dbraw/zinc/08/73/59/351087359.db2.gz QNNMIABCLIAVOE-UHFFFAOYSA-N 0 3 262.328 2.761 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1F ZINC000602997278 351088552 /nfs/dbraw/zinc/08/85/52/351088552.db2.gz GTTHCWOWBRFCJD-XIRDDKMYSA-N 0 3 288.366 2.823 20 30 CFEDHN Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1C#N ZINC000602997875 351089166 /nfs/dbraw/zinc/08/91/66/351089166.db2.gz SLEPMVDXTYBQDR-BZSNNMDCSA-N 0 3 284.403 2.992 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602998016 351089178 /nfs/dbraw/zinc/08/91/78/351089178.db2.gz VYHSYKOMCFFZFE-IKGGRYGDSA-N 0 3 270.376 2.684 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997881 351089448 /nfs/dbraw/zinc/08/94/48/351089448.db2.gz SMLLWJFSMISKAC-ULQDDVLXSA-N 0 3 270.376 2.684 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H](C)C(C)(C)C ZINC000603053434 351095697 /nfs/dbraw/zinc/09/56/97/351095697.db2.gz CKUZBOXVMMDQIA-UONOGXRCSA-N 0 3 281.444 2.609 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@H](C)C(C)(C)C ZINC000603053432 351095810 /nfs/dbraw/zinc/09/58/10/351095810.db2.gz CKUZBOXVMMDQIA-KBPBESRZSA-N 0 3 281.444 2.609 20 30 CFEDHN COCc1cc(C#N)ccc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000603310800 351136526 /nfs/dbraw/zinc/13/65/26/351136526.db2.gz QTDPLATVJBGEJR-SWLSCSKDSA-N 0 3 285.391 2.742 20 30 CFEDHN C=CCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000606897026 351301289 /nfs/dbraw/zinc/30/12/89/351301289.db2.gz GRJJTQGDYVRDHE-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN N#CCN1CCC(NCc2ccccc2OCC2CC2)CC1 ZINC000609335117 351496816 /nfs/dbraw/zinc/49/68/16/351496816.db2.gz UZSNIHOFORVYMM-UHFFFAOYSA-N 0 3 299.418 2.553 20 30 CFEDHN N#Cc1ccccc1CN1CCc2ccc(O)cc2CC1 ZINC000608866590 351480350 /nfs/dbraw/zinc/48/03/50/351480350.db2.gz AXBVEQDEEJRLFF-UHFFFAOYSA-N 0 3 278.355 2.865 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157375 351489879 /nfs/dbraw/zinc/48/98/79/351489879.db2.gz GTBVBZRQBSDCKJ-MRXNPFEDSA-N 0 3 266.348 2.592 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000609839990 351522060 /nfs/dbraw/zinc/52/20/60/351522060.db2.gz VTZDQSPAEOJKQT-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C#N)C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000609920892 351528177 /nfs/dbraw/zinc/52/81/77/351528177.db2.gz LYXSWKJFCGWKRE-BMFZPTHFSA-N 0 3 286.375 2.772 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCc2ccccc2C1 ZINC000609769891 351518288 /nfs/dbraw/zinc/51/82/88/351518288.db2.gz ZJDOESHYQQRUCL-HUUCEWRRSA-N 0 3 267.376 2.825 20 30 CFEDHN CC(C)C[C@@H](NC1CCN(CC#N)CC1)c1ccccn1 ZINC000610813093 351611412 /nfs/dbraw/zinc/61/14/12/351611412.db2.gz ZEILIWAFOZOQGP-QGZVFWFLSA-N 0 3 286.423 2.746 20 30 CFEDHN COc1cc(C)ccc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000610813527 351611708 /nfs/dbraw/zinc/61/17/08/351611708.db2.gz JTVDDNVEUQAHTP-CQSZACIVSA-N 0 3 287.407 2.642 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cc(C#N)cs1 ZINC000610488775 351569870 /nfs/dbraw/zinc/56/98/70/351569870.db2.gz SNCUKTMJAYBEIO-BLLLJJGKSA-N 0 3 286.400 2.874 20 30 CFEDHN CCOc1ccccc1[C@@H](C)NC1CCN(CC#N)CC1 ZINC000610813848 351612482 /nfs/dbraw/zinc/61/24/82/351612482.db2.gz UWKSXOLZQZOAOD-CQSZACIVSA-N 0 3 287.407 2.724 20 30 CFEDHN CCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000611092385 351639839 /nfs/dbraw/zinc/63/98/39/351639839.db2.gz RYZLGDRNUPFEQT-KBPBESRZSA-N 0 3 257.381 2.645 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccccc1C#N ZINC000611119098 351642199 /nfs/dbraw/zinc/64/21/99/351642199.db2.gz SGXMCRJXXPOTPQ-RDTXWAMCSA-N 0 3 280.371 2.812 20 30 CFEDHN Cc1ccc(C)c([C@H](C)N2CCN(CCC#N)CC2)c1 ZINC000611173864 351646762 /nfs/dbraw/zinc/64/67/62/351646762.db2.gz ONVFBMQEVSNIGQ-INIZCTEOSA-N 0 3 271.408 2.896 20 30 CFEDHN Cc1ccccc1[C@H](C)N1CCN(CCC#N)CC1 ZINC000611175703 351646855 /nfs/dbraw/zinc/64/68/55/351646855.db2.gz KINVBBNODXZIAZ-HNNXBMFYSA-N 0 3 257.381 2.587 20 30 CFEDHN CO[C@]1(C)C[C@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993816 351631178 /nfs/dbraw/zinc/63/11/78/351631178.db2.gz JODYFGJIKMMTER-GOEBONIOSA-N 0 3 273.380 2.589 20 30 CFEDHN CS[C@H](CO)[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393462 351681112 /nfs/dbraw/zinc/68/11/12/351681112.db2.gz UMMAWGHTUQZKEM-XFBWCDHKSA-N 0 3 290.432 2.638 20 30 CFEDHN CC(C)N1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394879 351682111 /nfs/dbraw/zinc/68/21/11/351682111.db2.gz PDUQJECRVUPSJS-IAGOWNOFSA-N 0 3 297.402 2.535 20 30 CFEDHN C=CCCC[C@H](C)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000611431832 351689295 /nfs/dbraw/zinc/68/92/95/351689295.db2.gz CSVWPDHASSNANK-HOTGVXAUSA-N 0 3 263.429 2.897 20 30 CFEDHN COC(=O)C(C)(C)[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000611462937 351693371 /nfs/dbraw/zinc/69/33/71/351693371.db2.gz MZGYVTYBGKXBTH-ZDUSSCGKSA-N 0 3 280.412 2.837 20 30 CFEDHN CC[C@H](NC1CCN(CC#N)CC1)c1ccccc1F ZINC000611519198 351703885 /nfs/dbraw/zinc/70/38/85/351703885.db2.gz COHCHSHJMWXDIO-INIZCTEOSA-N 0 3 275.371 2.854 20 30 CFEDHN C[C@H](NCc1ccnc(C#N)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000612530831 351831469 /nfs/dbraw/zinc/83/14/69/351831469.db2.gz OJQHLMBGFRSNJJ-ZJNRKIDTSA-N 0 3 293.370 2.996 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000612367752 351809490 /nfs/dbraw/zinc/80/94/90/351809490.db2.gz JJTSSYQNJXTORY-KRWDZBQOSA-N 0 3 285.391 2.514 20 30 CFEDHN Cc1cc(C)nc(NCc2cnc3ccc(C#N)cn23)c1 ZINC000122367057 187028840 /nfs/dbraw/zinc/02/88/40/187028840.db2.gz VSGGMXQUWWYRJV-UHFFFAOYSA-N 0 3 277.331 2.830 20 30 CFEDHN COCCN1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000122687503 187046096 /nfs/dbraw/zinc/04/60/96/187046096.db2.gz ZRLVHMVAJQRQCS-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000613666866 351995213 /nfs/dbraw/zinc/99/52/13/351995213.db2.gz PXZOTRAJMBHLRU-NHCYSSNCSA-N 0 3 270.336 2.611 20 30 CFEDHN CCN(CCOC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160572 352054568 /nfs/dbraw/zinc/05/45/68/352054568.db2.gz GKVCKLQRAYFWED-UHFFFAOYSA-N 0 3 260.381 2.956 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](CCO)C1 ZINC000614963186 352137286 /nfs/dbraw/zinc/13/72/86/352137286.db2.gz OMRQWJYHUWMLGU-KGLIPLIRSA-N 0 3 258.365 2.714 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(c2c[nH]cn2)CC1 ZINC000614403664 352090368 /nfs/dbraw/zinc/09/03/68/352090368.db2.gz PIJQZLSMQFDDFG-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1ccccc1[C@@H](CO)NCc1ccc(C#N)cc1C ZINC000614406850 352090972 /nfs/dbraw/zinc/09/09/72/352090972.db2.gz CCYVXOSTJPIPST-GOSISDBHSA-N 0 3 280.371 2.998 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(c2ccncc2)CC1 ZINC000614464572 352096419 /nfs/dbraw/zinc/09/64/19/352096419.db2.gz UOAGFLROQWEPHV-HNNXBMFYSA-N 0 3 292.386 2.836 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC001085161500 781929154 /nfs/dbraw/zinc/92/91/54/781929154.db2.gz BUZQBGBPNRAETC-IACUBPJLSA-N 0 3 284.831 2.802 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCC1 ZINC000617345085 352546500 /nfs/dbraw/zinc/54/65/00/352546500.db2.gz WZGYJQXBUXAOAB-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617347998 352547369 /nfs/dbraw/zinc/54/73/69/352547369.db2.gz XSSBDJGHUNSIHN-CQSZACIVSA-N 0 3 264.413 2.744 20 30 CFEDHN N#Cc1ccc(O[C@@H]2CCN([C@@H]3C=CCCC3)C2)nc1 ZINC000292089387 198159044 /nfs/dbraw/zinc/15/90/44/198159044.db2.gz FIXOGAQGEPRYSW-HUUCEWRRSA-N 0 3 269.348 2.515 20 30 CFEDHN C=CCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000617613919 352603481 /nfs/dbraw/zinc/60/34/81/352603481.db2.gz AFVMQQYMXRAZSB-UHFFFAOYSA-N 0 3 272.392 2.978 20 30 CFEDHN C=C[C@H](CC(=O)N(CC)[C@H]1CCN(C)C1)c1ccccc1 ZINC000617553187 352581515 /nfs/dbraw/zinc/58/15/15/352581515.db2.gz CALWRIAIINTGGZ-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)CCN(C)c2ccncc2)C1 ZINC000617781844 352644665 /nfs/dbraw/zinc/64/46/65/352644665.db2.gz ULCFKNSZRIOLCY-OAHLLOKOSA-N 0 3 287.407 2.723 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2CCC)C1 ZINC000617785901 352646295 /nfs/dbraw/zinc/64/62/95/352646295.db2.gz PENPSVOYBJIAHY-CABCVRRESA-N 0 3 264.413 2.676 20 30 CFEDHN COc1ccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000271617824 191243275 /nfs/dbraw/zinc/24/32/75/191243275.db2.gz COGKBPQUZSZEDE-SCLBCKFNSA-N 0 3 296.370 2.951 20 30 CFEDHN CC[C@H](NCc1cc(C)[nH]n1)c1ccc(C#N)cc1 ZINC000618569238 352813162 /nfs/dbraw/zinc/81/31/62/352813162.db2.gz VMTVMCOTTSJYPJ-HNNXBMFYSA-N 0 3 254.337 2.831 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000618571695 352813783 /nfs/dbraw/zinc/81/37/83/352813783.db2.gz MEFVJRSUEHDCJX-STQMWFEESA-N 0 3 289.335 2.646 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000618571375 352813875 /nfs/dbraw/zinc/81/38/75/352813875.db2.gz GHWJIBDCKCDYNZ-PWSUYJOCSA-N 0 3 286.301 2.617 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H](CO)c2cccc(F)c2)C1 ZINC000618571760 352813888 /nfs/dbraw/zinc/81/38/88/352813888.db2.gz WWXXLIWEIDQJMC-BYCMXARLSA-N 0 3 262.328 2.531 20 30 CFEDHN COc1ccccc1OCCN[C@H]1CCC[C@@H](C#N)C1 ZINC000618561711 352808449 /nfs/dbraw/zinc/80/84/49/352808449.db2.gz USYTWCYOIIUEKS-KGLIPLIRSA-N 0 3 274.364 2.746 20 30 CFEDHN COc1ccccc1OCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000618561712 352808642 /nfs/dbraw/zinc/80/86/42/352808642.db2.gz USYTWCYOIIUEKS-UONOGXRCSA-N 0 3 274.364 2.746 20 30 CFEDHN Cn1cccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618742171 352876001 /nfs/dbraw/zinc/87/60/01/352876001.db2.gz KLKJYVOWISTDEQ-INIZCTEOSA-N 0 3 251.333 2.674 20 30 CFEDHN CCN(CC)C(=O)C[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618801949 352883236 /nfs/dbraw/zinc/88/32/36/352883236.db2.gz CREOKEQXEFNTGW-GUYCJALGSA-N 0 3 299.418 2.782 20 30 CFEDHN C=CCC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCCC1 ZINC000619108390 352955574 /nfs/dbraw/zinc/95/55/74/352955574.db2.gz UGJYAHHODJVPAG-ZIAGYGMSSA-N 0 3 264.413 2.864 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292251603 198218273 /nfs/dbraw/zinc/21/82/73/198218273.db2.gz SGHMWMRJUYUUQO-AWEZNQCLSA-N 0 3 290.407 2.632 20 30 CFEDHN CC[C@@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619720469 353058886 /nfs/dbraw/zinc/05/88/86/353058886.db2.gz GVXYUNFZZWKXME-CZUORRHYSA-N 0 3 275.371 2.806 20 30 CFEDHN C=C(C)CN1CCC(CC(=O)NC2CCCC2)CC1 ZINC000619738657 353062182 /nfs/dbraw/zinc/06/21/82/353062182.db2.gz XBZPKDHUHPPEHJ-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN N#Cc1ccc(CNCC2=CCCOC2)cc1Cl ZINC000619748703 353063445 /nfs/dbraw/zinc/06/34/45/353063445.db2.gz LYUGFGAKXRFUPN-UHFFFAOYSA-N 0 3 262.740 2.648 20 30 CFEDHN CC[C@@H](COC)NCc1ccc(C#N)c(Cl)c1 ZINC000619754945 353063664 /nfs/dbraw/zinc/06/36/64/353063664.db2.gz OZSLACQIKDFFMY-LBPRGKRZSA-N 0 3 252.745 2.726 20 30 CFEDHN CC(C)OC[C@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000619715418 353056518 /nfs/dbraw/zinc/05/65/18/353056518.db2.gz AVCJUZHXEZQEBL-LRDDRELGSA-N 0 3 258.365 2.949 20 30 CFEDHN CC(C)N1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301329822 535201335 /nfs/dbraw/zinc/20/13/35/535201335.db2.gz DGGOCYZFEXPCIW-UHFFFAOYSA-N 0 3 280.375 2.637 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCN(C)c1ccncc1 ZINC000620305282 353149260 /nfs/dbraw/zinc/14/92/60/353149260.db2.gz BQORBLLVPUCLTF-IYBDPMFKSA-N 0 3 285.391 2.618 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Nc2cccc(C#N)c2)C1 ZINC000153357542 188078263 /nfs/dbraw/zinc/07/82/63/188078263.db2.gz YQTSRSZJTVWDBM-ZBFHGGJFSA-N 0 3 298.390 2.506 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000292478228 198302683 /nfs/dbraw/zinc/30/26/83/198302683.db2.gz AMVBBZDTGHVUJY-LBPRGKRZSA-N 0 3 290.388 2.852 20 30 CFEDHN C=CCCCCCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621354457 353335274 /nfs/dbraw/zinc/33/52/74/353335274.db2.gz KQAPLXRWUBQFTC-INIZCTEOSA-N 0 3 293.432 2.992 20 30 CFEDHN CN(CCc1nccs1)Cc1ccc(F)c(C#N)c1 ZINC000157614497 188327888 /nfs/dbraw/zinc/32/78/88/188327888.db2.gz RTQKJYVSRUFWNF-UHFFFAOYSA-N 0 3 275.352 2.828 20 30 CFEDHN C=CCCNCc1ccnn1CCc1ccccc1 ZINC000621370492 353341288 /nfs/dbraw/zinc/34/12/88/353341288.db2.gz JVTHITLYTULNJG-UHFFFAOYSA-N 0 3 255.365 2.792 20 30 CFEDHN N#Cc1ccc(F)cc1CN1CCN(C2CCCC2)CC1 ZINC000158404982 188374347 /nfs/dbraw/zinc/37/43/47/188374347.db2.gz RRWBXLVLZNISOA-UHFFFAOYSA-N 0 3 287.382 2.758 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000158143173 188359597 /nfs/dbraw/zinc/35/95/97/188359597.db2.gz JJZFXIDKHZNZFC-AWEZNQCLSA-N 0 3 289.375 2.801 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000621738542 353415648 /nfs/dbraw/zinc/41/56/48/353415648.db2.gz JFDFHSLAZHMGFZ-ZBFHGGJFSA-N 0 3 275.392 2.702 20 30 CFEDHN C#CCOc1ccc(CN(C)C(C)(C)COC)cc1 ZINC000292707433 198384111 /nfs/dbraw/zinc/38/41/11/198384111.db2.gz CZASNXTWAYAPLF-UHFFFAOYSA-N 0 3 261.365 2.555 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000623422389 353639569 /nfs/dbraw/zinc/63/95/69/353639569.db2.gz VDPXZLYZPDOFME-ARFHVFGLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC1(NCc2ccncc2Cl)CCOCC1 ZINC000623564515 353673626 /nfs/dbraw/zinc/67/36/26/353673626.db2.gz GRJYGUSIDNXSJO-UHFFFAOYSA-N 0 3 266.772 2.950 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)C1 ZINC000623709860 353709229 /nfs/dbraw/zinc/70/92/29/353709229.db2.gz KZBQICBFTBBXDX-GJZGRUSLSA-N 0 3 281.444 2.570 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000623753273 353719415 /nfs/dbraw/zinc/71/94/15/353719415.db2.gz VGNOCFHSMPBGNY-WBVHZDCISA-N 0 3 273.376 2.909 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623927997 353761329 /nfs/dbraw/zinc/76/13/29/353761329.db2.gz AUYRIQWQPHYSPA-GJZGRUSLSA-N 0 3 299.418 2.922 20 30 CFEDHN C=CCOCCCN[C@@H]1CCCc2scnc21 ZINC000624013933 353784939 /nfs/dbraw/zinc/78/49/39/353784939.db2.gz MWTYEOITDZJTIT-LLVKDONJSA-N 0 3 252.383 2.703 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000624182391 353826676 /nfs/dbraw/zinc/82/66/76/353826676.db2.gz AISUEGLFAHAWOG-INWMFGNUSA-N 0 3 270.376 2.884 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000624316346 353861075 /nfs/dbraw/zinc/86/10/75/353861075.db2.gz OFXMJVUADAWXPX-OWCLPIDISA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN1C ZINC000624326782 353862706 /nfs/dbraw/zinc/86/27/06/353862706.db2.gz UUZSGLINHMCWNV-ZNMIVQPWSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)C1 ZINC000624787084 353945785 /nfs/dbraw/zinc/94/57/85/353945785.db2.gz OXBJLQKPZNXKND-ZBFHGGJFSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCCN(C)CC(=O)N(CCC)CC(F)(F)F ZINC000625176628 353988808 /nfs/dbraw/zinc/98/88/08/353988808.db2.gz HPNKUKBTLDENNH-UHFFFAOYSA-N 0 3 280.334 2.685 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC000625700021 354088455 /nfs/dbraw/zinc/08/84/55/354088455.db2.gz GXUTUOQNBXPUGO-CQSZACIVSA-N 0 3 258.365 2.832 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000625700290 354089098 /nfs/dbraw/zinc/08/90/98/354089098.db2.gz KDTRLJVUZQKUFX-OAHLLOKOSA-N 0 3 272.392 2.543 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000625701852 354089299 /nfs/dbraw/zinc/08/92/99/354089299.db2.gz UAAOSJFKXDUEOA-ZDUSSCGKSA-N 0 3 259.349 2.856 20 30 CFEDHN CCOCCN(CC#CCOC)[C@@H]1CCc2ccccc21 ZINC000625977380 354158359 /nfs/dbraw/zinc/15/83/59/354158359.db2.gz GZXWBIFKSSDVPV-GOSISDBHSA-N 0 3 287.403 2.662 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626126234 354203085 /nfs/dbraw/zinc/20/30/85/354203085.db2.gz KEHVCQNYACWYFZ-ZFWWWQNUSA-N 0 3 279.355 2.561 20 30 CFEDHN C=C(Cl)CN[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000163363367 188605724 /nfs/dbraw/zinc/60/57/24/188605724.db2.gz DGDFPEVBJPHBFC-NSHDSACASA-N 0 3 269.772 2.977 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000628405034 354579243 /nfs/dbraw/zinc/57/92/43/354579243.db2.gz BTJOHRAABOBYME-CQSZACIVSA-N 0 3 270.380 2.744 20 30 CFEDHN C=CCOc1ccccc1CN(C)CC1(C)COC1 ZINC000628423464 354584357 /nfs/dbraw/zinc/58/43/57/354584357.db2.gz WCYRBHLGKDOPTO-UHFFFAOYSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000628460963 354593596 /nfs/dbraw/zinc/59/35/96/354593596.db2.gz CIKGXLYBTMDIBZ-FUHWJXTLSA-N 0 3 287.403 2.846 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@@H](CC)N(CC)CC)C1 ZINC000628487915 354604733 /nfs/dbraw/zinc/60/47/33/354604733.db2.gz OAXADPLGOZIXQR-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC1(C(=O)NC[C@@H]2CCN2C2CCCC2)CCC1 ZINC000628964688 354708990 /nfs/dbraw/zinc/70/89/90/354708990.db2.gz AZSDPVUTRPQOTP-HNNXBMFYSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCOCCNCc1cc2cc(OC)ccc2o1 ZINC000679485230 540065208 /nfs/dbraw/zinc/06/52/08/540065208.db2.gz BYEGBRJPOKHNQJ-UHFFFAOYSA-N 0 3 261.321 2.734 20 30 CFEDHN C=C1CC(C)(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000630477855 355092196 /nfs/dbraw/zinc/09/21/96/355092196.db2.gz LEUONVFXXZKNDH-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271786247 191327055 /nfs/dbraw/zinc/32/70/55/191327055.db2.gz TXPPRFIYZWWMPN-NWDGAFQWSA-N 0 3 264.325 2.573 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(OC)c(OC)cc1Cl ZINC000631108079 355295453 /nfs/dbraw/zinc/29/54/53/355295453.db2.gz RVTUYFNCIPDCEV-NSHDSACASA-N 0 3 299.798 2.631 20 30 CFEDHN C=CCOCCCNCc1c(OC)cc(F)cc1OC ZINC000631174430 355331107 /nfs/dbraw/zinc/33/11/07/355331107.db2.gz MGMYSQTYUDIKMG-UHFFFAOYSA-N 0 3 283.343 2.525 20 30 CFEDHN C=CCCCC[C@@H](C)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631697008 355551334 /nfs/dbraw/zinc/55/13/34/355551334.db2.gz VQMZUDODCAXJRF-CYBMUJFWSA-N 0 3 292.427 2.923 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631697008 355551337 /nfs/dbraw/zinc/55/13/37/355551337.db2.gz VQMZUDODCAXJRF-CYBMUJFWSA-N 0 3 292.427 2.923 20 30 CFEDHN C=CCC[C@H](NCC[C@@H](O)C(F)F)c1ccco1 ZINC000631703574 355555521 /nfs/dbraw/zinc/55/55/21/355555521.db2.gz TYNZWCONSJFPKN-WDEREUQCSA-N 0 3 259.296 2.893 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000633158639 355814015 /nfs/dbraw/zinc/81/40/15/355814015.db2.gz UFKSAQQEPMDOEP-CQSZACIVSA-N 0 3 293.455 2.928 20 30 CFEDHN CC(=O)CN(C(=O)C(C#N)CCc1ccccc1)C(C)C ZINC000633220379 355831372 /nfs/dbraw/zinc/83/13/72/355831372.db2.gz IVXIHBURUJTRIE-MRXNPFEDSA-N 0 3 286.375 2.585 20 30 CFEDHN C=CCCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000633372478 355879240 /nfs/dbraw/zinc/87/92/40/355879240.db2.gz MHPQQAKPKIFARJ-UHFFFAOYSA-N 0 3 262.353 2.662 20 30 CFEDHN CC#CCN[C@H](CN1CCCCC1)c1ccccc1 ZINC000679939804 542254391 /nfs/dbraw/zinc/25/43/91/542254391.db2.gz YUOOTJAREBACTI-QGZVFWFLSA-N 0 3 256.393 2.827 20 30 CFEDHN N#Cc1ccc(CN2CCc3ccccc3[C@H]2CN)cc1 ZINC000227722862 283143341 /nfs/dbraw/zinc/14/33/41/283143341.db2.gz QMDVMOIOPMKPQL-GOSISDBHSA-N 0 3 277.371 2.616 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000121786506 283146990 /nfs/dbraw/zinc/14/69/90/283146990.db2.gz QANWOQDAVKSOKL-QGZVFWFLSA-N 0 3 292.386 2.712 20 30 CFEDHN C=CCCc1nc(-c2ccccc2OCCN(C)C)no1 ZINC000273761576 192296745 /nfs/dbraw/zinc/29/67/45/192296745.db2.gz CWLPDVDEJYZTQU-UHFFFAOYSA-N 0 3 287.363 2.796 20 30 CFEDHN CCCN(CCN1CCCCC1)c1ncccc1C#N ZINC000343357637 283252262 /nfs/dbraw/zinc/25/22/62/283252262.db2.gz ZXGBKWRSCBGTJE-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000294612580 199106671 /nfs/dbraw/zinc/10/66/71/199106671.db2.gz DPGZCARQKPFKNU-HNNXBMFYSA-N 0 3 274.408 2.926 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CCOC2(C)C)cc1OC ZINC000294779103 199178648 /nfs/dbraw/zinc/17/86/48/199178648.db2.gz KXOGCOPVCLHVLZ-INIZCTEOSA-N 0 3 291.391 2.917 20 30 CFEDHN CO[C@H](CNCc1cccc(C#N)c1)Cc1ccccc1 ZINC000294864879 199220479 /nfs/dbraw/zinc/22/04/79/199220479.db2.gz UDIDCVFJSAPRBR-SFHVURJKSA-N 0 3 280.371 2.906 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccc(OC)c1F ZINC000669685146 540483068 /nfs/dbraw/zinc/48/30/68/540483068.db2.gz STKGNJJFKHCPDK-BBRMVZONSA-N 0 3 279.355 2.905 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000678743026 540476706 /nfs/dbraw/zinc/47/67/06/540476706.db2.gz RMWOEYWETGECKA-ZWNOBZJWSA-N 0 3 271.307 2.876 20 30 CFEDHN C=C(C)CCN(CCC(=O)OCC)Cc1cccnc1 ZINC000274874443 192820962 /nfs/dbraw/zinc/82/09/62/192820962.db2.gz XYUFBCVBLLYPTG-UHFFFAOYSA-N 0 3 276.380 2.803 20 30 CFEDHN C=C(C)CCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296956676 200045615 /nfs/dbraw/zinc/04/56/15/200045615.db2.gz YBNKLYKQYADRMY-UHFFFAOYSA-N 0 3 258.365 2.716 20 30 CFEDHN C=CC[C@@H](CO)NCc1c(C)nc2scc(C3CC3)n12 ZINC000297831068 200288682 /nfs/dbraw/zinc/28/86/82/200288682.db2.gz ZRXRPVJDPAKOGP-LBPRGKRZSA-N 0 3 291.420 2.608 20 30 CFEDHN N#Cc1cccc(CN2CCC(c3ccncn3)CC2)c1 ZINC000297985610 200313459 /nfs/dbraw/zinc/31/34/59/200313459.db2.gz AAJOVCMVPWVWRA-UHFFFAOYSA-N 0 3 278.359 2.728 20 30 CFEDHN CC#CCCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000298046863 200322950 /nfs/dbraw/zinc/32/29/50/200322950.db2.gz DSBVVYHKSWUDIM-AWEZNQCLSA-N 0 3 296.208 2.828 20 30 CFEDHN C=CCOCCNCc1cc(Br)cs1 ZINC000053560723 540739227 /nfs/dbraw/zinc/73/92/27/540739227.db2.gz FSDVQFVFCYMFOJ-UHFFFAOYSA-N 0 3 276.199 2.803 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(C(=O)c2ccccc2)CC1 ZINC000178040543 189087694 /nfs/dbraw/zinc/08/76/94/189087694.db2.gz ICIAPKYVYWVRRG-KRWDZBQOSA-N 0 3 287.403 2.908 20 30 CFEDHN C=CC[C@@H]1N(CC[C@H]2CCS(=O)(=O)C2)CCCC1(C)C ZINC000683527643 540769578 /nfs/dbraw/zinc/76/95/78/540769578.db2.gz HXVFVMJSKYLOID-GJZGRUSLSA-N 0 3 299.480 2.878 20 30 CFEDHN C=CCC[C@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000180049427 189234946 /nfs/dbraw/zinc/23/49/46/189234946.db2.gz DXMQDBQQLOCNNS-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CCN1CCC(NC(=O)c2csc(C)c2C)CC1 ZINC000180064660 189235441 /nfs/dbraw/zinc/23/54/41/189235441.db2.gz VVVWFDLSIKSILV-UHFFFAOYSA-N 0 3 278.421 2.745 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000180692602 189270200 /nfs/dbraw/zinc/27/02/00/189270200.db2.gz VKNCBVNTVLDKDR-UHFFFAOYSA-N 0 3 292.358 2.501 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CSC ZINC001098971389 781937891 /nfs/dbraw/zinc/93/78/91/781937891.db2.gz NVVRKVYFIWKIKJ-KBPBESRZSA-N 0 3 298.496 2.778 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CCC2)CC1 ZINC000671729526 541061485 /nfs/dbraw/zinc/06/14/85/541061485.db2.gz PCPUCAPHURECOI-HNNXBMFYSA-N 0 3 276.424 2.842 20 30 CFEDHN Cc1c([C@@H](C)NCCCOc2cccc(C#N)c2)cnn1C ZINC000183344592 189356198 /nfs/dbraw/zinc/35/61/98/189356198.db2.gz RPKAVLGTNICACJ-CYBMUJFWSA-N 0 3 298.390 2.720 20 30 CFEDHN CC1([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)OCCO1 ZINC000183843196 189369132 /nfs/dbraw/zinc/36/91/32/189369132.db2.gz QALPYSYESMVBGZ-MRXNPFEDSA-N 0 3 286.375 2.533 20 30 CFEDHN Cc1nccn1CCN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425538960 239094709 /nfs/dbraw/zinc/09/47/09/239094709.db2.gz SXVGORYXAQSKEN-CYBMUJFWSA-N 0 3 268.364 2.756 20 30 CFEDHN C[C@@H]1CCCN(CCNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302206178 201395557 /nfs/dbraw/zinc/39/55/57/201395557.db2.gz KJHKUSLTDLEXRL-GFCCVEGCSA-N 0 3 288.351 2.610 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667943602 541346835 /nfs/dbraw/zinc/34/68/35/541346835.db2.gz UXJRQDPHOQVSJT-MRXNPFEDSA-N 0 3 261.365 2.862 20 30 CFEDHN CC1(CN2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000432932443 240071678 /nfs/dbraw/zinc/07/16/78/240071678.db2.gz PYRHNCMYNCNMOM-UHFFFAOYSA-N 0 3 283.419 2.866 20 30 CFEDHN CCOC(=O)CC1(NCc2ccc(C#N)cc2)CCCC1 ZINC000434604251 240249625 /nfs/dbraw/zinc/24/96/25/240249625.db2.gz AXCRRWPBIKOQFR-UHFFFAOYSA-N 0 3 286.375 2.914 20 30 CFEDHN C=C[C@@H](CC(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000275697992 193107624 /nfs/dbraw/zinc/10/76/24/193107624.db2.gz BJLVBDAZLUUFCK-HNNXBMFYSA-N 0 3 286.419 2.947 20 30 CFEDHN Cc1cc(CNCc2cccc(CO)c2)ccc1C#N ZINC000443965329 241097670 /nfs/dbraw/zinc/09/76/70/241097670.db2.gz RBLNRUSARBBGER-UHFFFAOYSA-N 0 3 266.344 2.649 20 30 CFEDHN Cc1cc(CNCCC(=O)NC2CCCCC2)ccc1C#N ZINC000443975944 241100197 /nfs/dbraw/zinc/10/01/97/241100197.db2.gz BTXRYURVSIQNHI-UHFFFAOYSA-N 0 3 299.418 2.795 20 30 CFEDHN CNC(=O)c1ccc(CNCc2ccc(C#N)c(C)c2)cc1 ZINC000443990988 241103421 /nfs/dbraw/zinc/10/34/21/241103421.db2.gz UWHXDOLYKJTNAD-UHFFFAOYSA-N 0 3 293.370 2.516 20 30 CFEDHN CCC1(CC)CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000446744896 241324148 /nfs/dbraw/zinc/32/41/48/241324148.db2.gz ZRGHUFXSTXFKDP-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN CC[C@@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)cc1 ZINC000447600802 241391313 /nfs/dbraw/zinc/39/13/13/241391313.db2.gz NSFDOHZCNDUYMX-CHWSQXEVSA-N 0 3 268.307 2.615 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000449626109 242074500 /nfs/dbraw/zinc/07/45/00/242074500.db2.gz CUDGJNOPXQUQCD-OAHLLOKOSA-N 0 3 271.408 2.783 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(F)c1 ZINC000449551075 242020073 /nfs/dbraw/zinc/02/00/73/242020073.db2.gz FQAGLTUXMQEZHE-IIAWOOMASA-N 0 3 288.366 2.680 20 30 CFEDHN N#Cc1csc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000449550482 242020978 /nfs/dbraw/zinc/02/09/78/242020978.db2.gz CZBCKNWGFMEERC-MCIONIFRSA-N 0 3 276.405 2.603 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000450269389 242334127 /nfs/dbraw/zinc/33/41/27/242334127.db2.gz IBDRSMMTBOAPFW-UHFFFAOYSA-N 0 3 296.374 2.817 20 30 CFEDHN C[C@@H](NCCSCc1ccccc1C#N)c1ccncn1 ZINC000453067154 243386011 /nfs/dbraw/zinc/38/60/11/243386011.db2.gz BSUUOOUHUKGRTL-CYBMUJFWSA-N 0 3 298.415 2.932 20 30 CFEDHN C=CCCN(C)Cc1cnc(N(CC)CC)s1 ZINC000276191531 193237413 /nfs/dbraw/zinc/23/74/13/193237413.db2.gz XBAXBPABJNYOKK-UHFFFAOYSA-N 0 3 253.415 2.997 20 30 CFEDHN C#CCN(CCc1cnn(CC)c1)Cc1ccc(F)cc1 ZINC000276297589 193276555 /nfs/dbraw/zinc/27/65/55/193276555.db2.gz JEPAITLXPGXKPW-UHFFFAOYSA-N 0 3 285.366 2.720 20 30 CFEDHN C[C@@H](N[C@H]1CCOC1(C)C)c1ccc(C#N)c(F)c1 ZINC000296436968 296164332 /nfs/dbraw/zinc/16/43/32/296164332.db2.gz MCLFFYDPZNFKLI-YGRLFVJLSA-N 0 3 262.328 2.915 20 30 CFEDHN COc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)ccc1C#N ZINC000459634045 245254222 /nfs/dbraw/zinc/25/42/22/245254222.db2.gz NWVRWFXFHWUKHV-GASCZTMLSA-N 0 3 274.364 2.612 20 30 CFEDHN C=C(C)CN(CC)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000249502809 261252153 /nfs/dbraw/zinc/25/21/53/261252153.db2.gz CLZSQSGCCOZGCW-RBSFLKMASA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@@H](N[C@H]1COCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000335221911 296165717 /nfs/dbraw/zinc/16/57/17/296165717.db2.gz KLYNALCRGJFKFJ-YGRLFVJLSA-N 0 3 262.328 2.773 20 30 CFEDHN CC1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000331974316 204350959 /nfs/dbraw/zinc/35/09/59/204350959.db2.gz KCXGZZBENYRZMK-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN COCC#CCN(C)CCc1cccc2ccccc21 ZINC000677478157 541864938 /nfs/dbraw/zinc/86/49/38/541864938.db2.gz POLZHBHGNYQISI-UHFFFAOYSA-N 0 3 267.372 2.964 20 30 CFEDHN CN(CCc1ccncc1)Cc1cccc(C#N)c1 ZINC000031945966 372423908 /nfs/dbraw/zinc/42/39/08/372423908.db2.gz JHXVLFFMYOMDGH-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN CCCN(CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037095035 372649455 /nfs/dbraw/zinc/64/94/55/372649455.db2.gz QXWODUSKYIQYEE-LBPRGKRZSA-N 0 3 259.353 2.617 20 30 CFEDHN CC(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000041493583 372843139 /nfs/dbraw/zinc/84/31/39/372843139.db2.gz TXPCGNVXNFUDTM-CQSZACIVSA-N 0 3 279.299 2.530 20 30 CFEDHN C#CCOc1ccc(CNC[C@H](O)c2ccccc2)cc1 ZINC000045944698 373038653 /nfs/dbraw/zinc/03/86/53/373038653.db2.gz IRJMLHPBCGVMCH-SFHVURJKSA-N 0 3 281.355 2.522 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1cc(C)ccc1C ZINC000046345393 373052522 /nfs/dbraw/zinc/05/25/22/373052522.db2.gz SFTOIBUMLMAVFD-INIZCTEOSA-N 0 3 275.392 2.717 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1F)CC(C)C ZINC000047848439 373122894 /nfs/dbraw/zinc/12/28/94/373122894.db2.gz OEDRGBKNKGNDBK-UHFFFAOYSA-N 0 3 264.344 2.802 20 30 CFEDHN CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CCCCC1 ZINC000049067333 373259719 /nfs/dbraw/zinc/25/97/19/373259719.db2.gz GXPZXRBHWVKJDA-INIZCTEOSA-N 0 3 279.428 2.695 20 30 CFEDHN CCC(C#N)(CC)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000529417069 383690174 /nfs/dbraw/zinc/69/01/74/383690174.db2.gz GOPAJJTVMHAHEK-CQSZACIVSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C)CN(C(=O)c1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000053222968 373471644 /nfs/dbraw/zinc/47/16/44/373471644.db2.gz REEYSBUMQQMZEO-UHFFFAOYSA-N 0 3 299.418 2.751 20 30 CFEDHN N#Cc1cccc(NC(=O)CN(C2CC2)C2CCCC2)c1 ZINC000057619720 373603691 /nfs/dbraw/zinc/60/36/91/373603691.db2.gz BIOQKJHTRZVYTA-UHFFFAOYSA-N 0 3 283.375 2.904 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H]1CC(C)(C)C ZINC000057863995 373616265 /nfs/dbraw/zinc/61/62/65/373616265.db2.gz OAPPYKNJTSRKCP-PBHICJAKSA-N 0 3 293.455 2.941 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@](C)(O)c1ccccc1 ZINC000061948008 373738404 /nfs/dbraw/zinc/73/84/04/373738404.db2.gz DOTLZYSGOIEWLQ-SFHVURJKSA-N 0 3 280.371 2.898 20 30 CFEDHN Fc1ccc(C#CCN2CCC3(CCOC3)CC2)cc1 ZINC000677724015 541894282 /nfs/dbraw/zinc/89/42/82/541894282.db2.gz BXENLOLURDUTSI-UHFFFAOYSA-N 0 3 273.351 2.680 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000066531733 373936362 /nfs/dbraw/zinc/93/63/62/373936362.db2.gz FONRAHTTWLWFSG-OKILXGFUSA-N 0 3 252.402 2.674 20 30 CFEDHN C[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000068829810 374041377 /nfs/dbraw/zinc/04/13/77/374041377.db2.gz TYRASJHKKQVRNT-RHSMWYFYSA-N 0 3 297.402 2.786 20 30 CFEDHN CCCCN(CCCO)Cc1ccc(C#N)s1 ZINC000289500791 197378363 /nfs/dbraw/zinc/37/83/63/197378363.db2.gz SWEICFCHDIRXAX-UHFFFAOYSA-N 0 3 252.383 2.604 20 30 CFEDHN CC1(C)CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000070259029 374156415 /nfs/dbraw/zinc/15/64/15/374156415.db2.gz BJJRWCWZZBSDNJ-HNNXBMFYSA-N 0 3 258.365 2.714 20 30 CFEDHN COCC#CCNC1(c2ccc(Cl)cc2)CCOCC1 ZINC000677818623 541909767 /nfs/dbraw/zinc/90/97/67/541909767.db2.gz DPDULGHFXQNXJC-UHFFFAOYSA-N 0 3 293.794 2.585 20 30 CFEDHN COCC#CCN1CCC(CCc2ccc(O)cc2)CC1 ZINC000677818403 541909885 /nfs/dbraw/zinc/90/98/85/541909885.db2.gz MABROYQFIDQTFK-UHFFFAOYSA-N 0 3 287.403 2.687 20 30 CFEDHN COCC#CCN1CCc2ccccc2[C@@H]1C(C)C ZINC000677820617 541911266 /nfs/dbraw/zinc/91/12/66/541911266.db2.gz RCLFJDKBNFMNIR-KRWDZBQOSA-N 0 3 257.377 2.892 20 30 CFEDHN CC(C)[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000072879374 374296810 /nfs/dbraw/zinc/29/68/10/374296810.db2.gz IYOGEULMOYVGSY-ZBFHGGJFSA-N 0 3 287.407 2.734 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000491928658 246125486 /nfs/dbraw/zinc/12/54/86/246125486.db2.gz YVJHRCFJRNCTMO-YSSGOKQJSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@H](CC(C)C)C2)CC1 ZINC000074132514 374408314 /nfs/dbraw/zinc/40/83/14/374408314.db2.gz JFBZMWRBBPCMBZ-OAHLLOKOSA-N 0 3 293.455 2.714 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)Nc1cccc(C#N)c1 ZINC000075912381 374513081 /nfs/dbraw/zinc/51/30/81/374513081.db2.gz XLEGUGLCNDMTTK-UHFFFAOYSA-N 0 3 279.343 2.872 20 30 CFEDHN CN(C)Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000075912383 374513130 /nfs/dbraw/zinc/51/31/30/374513130.db2.gz DATWQLFZGVXPPL-UHFFFAOYSA-N 0 3 279.343 2.872 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000076735526 374555835 /nfs/dbraw/zinc/55/58/35/374555835.db2.gz DVRACCHEDITVHV-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCCCN(C)CC(=O)N(Cc1ccc(C)o1)C1CC1 ZINC000076738413 374556297 /nfs/dbraw/zinc/55/62/97/374556297.db2.gz USFZJPBTCDOKRC-UHFFFAOYSA-N 0 3 290.407 2.977 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000076738127 374556942 /nfs/dbraw/zinc/55/69/42/374556942.db2.gz DCEOTXRTMKELEN-CQSZACIVSA-N 0 3 272.392 2.862 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000076734115 374557025 /nfs/dbraw/zinc/55/70/25/374557025.db2.gz AANUKHPFFFZHCG-CYBMUJFWSA-N 0 3 276.380 2.920 20 30 CFEDHN N#Cc1ccc(CNC2Cc3ccccc3C2)c(F)c1 ZINC000083492164 374749458 /nfs/dbraw/zinc/74/94/58/374749458.db2.gz DMRLXMPGZMUJHA-UHFFFAOYSA-N 0 3 266.319 2.954 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)cn1C ZINC000081843796 374720699 /nfs/dbraw/zinc/72/06/99/374720699.db2.gz NQUHTILHAFVMEJ-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCCCS2)c1 ZINC000087683545 374827346 /nfs/dbraw/zinc/82/73/46/374827346.db2.gz JRRRUJHKXDVXKG-LLVKDONJSA-N 0 3 252.408 2.995 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1ccc(C#N)o1)C(C)C ZINC000084954544 374792829 /nfs/dbraw/zinc/79/28/29/374792829.db2.gz ZIEAURPDFIEOSA-KRWDZBQOSA-N 0 3 287.407 2.939 20 30 CFEDHN C=CCC[C@H](N[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000089633823 374932019 /nfs/dbraw/zinc/93/20/19/374932019.db2.gz GBRCATKYHNRQCY-HIFRSBDPSA-N 0 3 281.421 2.717 20 30 CFEDHN N#Cc1ccc2ncc(CN3C[C@@H]4CCCC[C@H]4C3)n2c1 ZINC000093441941 375238164 /nfs/dbraw/zinc/23/81/64/375238164.db2.gz XUOMIBFLVCBCHS-GJZGRUSLSA-N 0 3 280.375 2.828 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2COc3ccccc3O2)c1 ZINC000093492089 375254395 /nfs/dbraw/zinc/25/43/95/375254395.db2.gz RBDDUFPJWPPMLA-GFCCVEGCSA-N 0 3 286.356 2.549 20 30 CFEDHN N#Cc1cccc(NC(=O)CN2CCC[C@H]2C2CCC2)c1 ZINC000102926695 375702398 /nfs/dbraw/zinc/70/23/98/375702398.db2.gz XDPHPWIXMJDVND-INIZCTEOSA-N 0 3 283.375 2.761 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H](CO)CC(C)(C)C ZINC000451792954 383709455 /nfs/dbraw/zinc/70/94/55/383709455.db2.gz USSHFSJNPPRSQQ-AWEZNQCLSA-N 0 3 278.371 2.926 20 30 CFEDHN C=C(C)CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000103469135 375749759 /nfs/dbraw/zinc/74/97/59/375749759.db2.gz FNMKKOTXJVAQAZ-LBPRGKRZSA-N 0 3 293.798 2.962 20 30 CFEDHN CC1CCN(CCNc2ccc(F)cc2C#N)CC1 ZINC000104248881 375776291 /nfs/dbraw/zinc/77/62/91/375776291.db2.gz LQKHTSRYOBRVRP-UHFFFAOYSA-N 0 3 261.344 2.841 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000111420678 375847299 /nfs/dbraw/zinc/84/72/99/375847299.db2.gz QNMJHOJNMCFSHN-HNNXBMFYSA-N 0 3 286.379 2.554 20 30 CFEDHN CCCN(CC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000112523473 375927549 /nfs/dbraw/zinc/92/75/49/375927549.db2.gz HECRWAZNWMDAGO-QGZVFWFLSA-N 0 3 271.408 2.887 20 30 CFEDHN C[C@H]1SCCN(CCOc2ccc(C#N)cc2)[C@H]1C ZINC000112643772 375940928 /nfs/dbraw/zinc/94/09/28/375940928.db2.gz JUYPATSSWHUPPY-QWHCGFSZSA-N 0 3 276.405 2.763 20 30 CFEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c1C ZINC000115602991 376142903 /nfs/dbraw/zinc/14/29/03/376142903.db2.gz RQILAOTVRLAVME-CABCVRRESA-N 0 3 287.407 2.715 20 30 CFEDHN C=CC[C@H](C)NCc1ccc(OC)c(OC)c1OC ZINC000116927455 376215778 /nfs/dbraw/zinc/21/57/78/376215778.db2.gz BYUGPOSYCQNPLM-NSHDSACASA-N 0 3 265.353 2.767 20 30 CFEDHN CC(C)(C#N)CCN1CCN(C2CCCCC2)CC1 ZINC000119742084 376463662 /nfs/dbraw/zinc/46/36/62/376463662.db2.gz RRGHEQRJFBFHNZ-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)s1)[C@H]1CCCO1 ZINC000119753690 376464999 /nfs/dbraw/zinc/46/49/99/376464999.db2.gz GHJSNUQKEPSSAH-CHWSQXEVSA-N 0 3 250.367 2.667 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000678843967 542082712 /nfs/dbraw/zinc/08/27/12/542082712.db2.gz PTCNWUBSSYAZNA-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000120105094 376547740 /nfs/dbraw/zinc/54/77/40/376547740.db2.gz UUVZSTGFAHQUOQ-HNNXBMFYSA-N 0 3 274.408 2.932 20 30 CFEDHN CN(C)CCNc1cc(C#N)ccc1C(F)(F)F ZINC000120372535 376604105 /nfs/dbraw/zinc/60/41/05/376604105.db2.gz QHTDYQRULMZGHO-UHFFFAOYSA-N 0 3 257.259 2.551 20 30 CFEDHN CC1(C)COC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451813805 383714535 /nfs/dbraw/zinc/71/45/35/383714535.db2.gz WCPQHYZNJNNKRT-ZDUSSCGKSA-N 0 3 296.317 2.674 20 30 CFEDHN C=CCCOCCNCc1cc(F)c(F)c(F)c1 ZINC000120805260 376696123 /nfs/dbraw/zinc/69/61/23/376696123.db2.gz VIBBYRSLFSGWNQ-UHFFFAOYSA-N 0 3 259.271 2.786 20 30 CFEDHN C=CCN(C[C@H](O)C(F)(F)F)CC1CCCCC1 ZINC000121316206 376803457 /nfs/dbraw/zinc/80/34/57/376803457.db2.gz NVIOMQZLMZDEHP-LBPRGKRZSA-N 0 3 265.319 2.978 20 30 CFEDHN C=CCn1c(SCCN(C)C)nnc1-c1cccs1 ZINC000123172496 376949332 /nfs/dbraw/zinc/94/93/32/376949332.db2.gz POCYDTDEMLJZKX-UHFFFAOYSA-N 0 3 294.449 2.846 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000123937055 376997307 /nfs/dbraw/zinc/99/73/07/376997307.db2.gz FVJMFICLNUZIHK-HNNXBMFYSA-N 0 3 286.419 2.858 20 30 CFEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccc(C)o1 ZINC000125768667 377191602 /nfs/dbraw/zinc/19/16/02/377191602.db2.gz JDFXIFPNRSKPIO-UHFFFAOYSA-N 0 3 275.352 2.660 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000126155534 377215093 /nfs/dbraw/zinc/21/50/93/377215093.db2.gz UAINPRGQSHEDCR-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000125927010 377202396 /nfs/dbraw/zinc/20/23/96/377202396.db2.gz XPOZLMWLAAABOA-ZDUSSCGKSA-N 0 3 292.448 2.919 20 30 CFEDHN Cn1cc(CNCC(C)(C)CCC#N)c(C(F)(F)F)n1 ZINC000130657455 377589148 /nfs/dbraw/zinc/58/91/48/377589148.db2.gz FEUZTEJIVVIWNK-UHFFFAOYSA-N 0 3 288.317 2.858 20 30 CFEDHN COc1ccc(OCCN(C)CCC(C)(C)C#N)cc1 ZINC000131051503 377650290 /nfs/dbraw/zinc/65/02/90/377650290.db2.gz LMCCPOTYLBHWBC-UHFFFAOYSA-N 0 3 276.380 2.946 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000131636463 377737806 /nfs/dbraw/zinc/73/78/06/377737806.db2.gz ZJEWBTAODUTZDA-HIFRSBDPSA-N 0 3 258.365 2.523 20 30 CFEDHN CCCCN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000131834245 377765486 /nfs/dbraw/zinc/76/54/86/377765486.db2.gz DRLGMFZJKOFOFM-CQSZACIVSA-N 0 3 279.428 2.840 20 30 CFEDHN C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000134530257 378028136 /nfs/dbraw/zinc/02/81/36/378028136.db2.gz QKKJIMOGELEHHU-LBPRGKRZSA-N 0 3 289.379 2.734 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000135126934 378085893 /nfs/dbraw/zinc/08/58/93/378085893.db2.gz ORPPMQPSEDUJEY-OAHLLOKOSA-N 0 3 281.359 2.515 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000135095082 378081743 /nfs/dbraw/zinc/08/17/43/378081743.db2.gz NTKAQORARMKLSN-QGZVFWFLSA-N 0 3 296.455 2.594 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000135128660 378087972 /nfs/dbraw/zinc/08/79/72/378087972.db2.gz WBYHIHYYYWQDPA-MRXNPFEDSA-N 0 3 269.348 2.544 20 30 CFEDHN COc1ccc(CN2CCC[C@H]2CSC)cc1C#N ZINC000135163371 378093838 /nfs/dbraw/zinc/09/38/38/378093838.db2.gz WDLLPWYMMDKIJK-AWEZNQCLSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@@H](CN1CCCCC1)NCc1ccc(C#N)s1 ZINC000135678263 378156786 /nfs/dbraw/zinc/15/67/86/378156786.db2.gz VMGBGEBGWBVSOX-LBPRGKRZSA-N 0 3 263.410 2.584 20 30 CFEDHN C[C@H](CC(=O)N1CCCCCC1)NCc1cccc(C#N)c1 ZINC000151387593 378322581 /nfs/dbraw/zinc/32/25/81/378322581.db2.gz ASWSDFQPSWNHCX-OAHLLOKOSA-N 0 3 299.418 2.829 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328701802 378416110 /nfs/dbraw/zinc/41/61/10/378416110.db2.gz NMPWGIPHBMIINW-OLZOCXBDSA-N 0 3 293.411 2.859 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328696828 378416776 /nfs/dbraw/zinc/41/67/76/378416776.db2.gz LBOORMNMHXFQKX-XQQFMLRXSA-N 0 3 293.411 2.857 20 30 CFEDHN C[C@@H](NC(=O)CC1(O)CCCCC1)C1=CCN(C)CC1 ZINC000329302288 378452044 /nfs/dbraw/zinc/45/20/44/378452044.db2.gz NINRWNRCAXCLJI-CYBMUJFWSA-N 0 3 280.412 2.679 20 30 CFEDHN Cc1nnc([C@H](C)NC(=O)C2CCN(C3CC3)CC2)s1 ZINC000328711496 378418292 /nfs/dbraw/zinc/41/82/92/378418292.db2.gz BZPRJKZAHJAFTC-VIFPVBQESA-N 0 3 294.424 2.738 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC000328891993 378436619 /nfs/dbraw/zinc/43/66/19/378436619.db2.gz TVHFIVZHTKMHFX-GFCCVEGCSA-N 0 3 277.368 2.731 20 30 CFEDHN Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000329779037 378495698 /nfs/dbraw/zinc/49/56/98/378495698.db2.gz LPZFDOYOXFPYNH-BXKDBHETSA-N 0 3 277.368 2.648 20 30 CFEDHN CC(C)CN1CCCC[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000154113051 378540006 /nfs/dbraw/zinc/54/00/06/378540006.db2.gz JZVGSIAJPOARNJ-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN CCCCCNC(=O)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000330441386 378556142 /nfs/dbraw/zinc/55/61/42/378556142.db2.gz UXHYXKLTLCXRAG-ZBFHGGJFSA-N 0 3 291.439 2.697 20 30 CFEDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000331121900 378635471 /nfs/dbraw/zinc/63/54/71/378635471.db2.gz PUPJHQUJDUQLEM-QGZVFWFLSA-N 0 3 299.418 2.605 20 30 CFEDHN CCN1CCC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000331048560 378620782 /nfs/dbraw/zinc/62/07/82/378620782.db2.gz HGMZJSNVWOOERS-INIZCTEOSA-N 0 3 299.418 2.702 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCCCCC3)n2c1 ZINC000157374088 378653650 /nfs/dbraw/zinc/65/36/50/378653650.db2.gz UHQXIPDJUWLVPE-UHFFFAOYSA-N 0 3 254.337 2.582 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000331284869 378662587 /nfs/dbraw/zinc/66/25/87/378662587.db2.gz KYUNCHUKEXBIKN-HEHGZKQESA-N 0 3 288.391 2.548 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331284870 378663152 /nfs/dbraw/zinc/66/31/52/378663152.db2.gz KYUNCHUKEXBIKN-WOSRLPQWSA-N 0 3 288.391 2.548 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC2(CCCC2)C1 ZINC000158079446 378664066 /nfs/dbraw/zinc/66/40/66/378664066.db2.gz ZCUFOFJWFKNWRZ-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CCCC)C2CCC2)CC1 ZINC000158740940 378673482 /nfs/dbraw/zinc/67/34/82/378673482.db2.gz GXNJLIODMJXDDC-QGZVFWFLSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000161227268 378833167 /nfs/dbraw/zinc/83/31/67/378833167.db2.gz DXAHANBBVIYVSP-CYBMUJFWSA-N 0 3 293.436 2.760 20 30 CFEDHN C[C@H]1CSC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000334193700 378907877 /nfs/dbraw/zinc/90/78/77/378907877.db2.gz IPKNNTCCCYEJQH-ZANVPECISA-N 0 3 250.342 2.538 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cnn(C)c2)cc1 ZINC000163870677 378994138 /nfs/dbraw/zinc/99/41/38/378994138.db2.gz WIISPDNPXUIXDY-ZIAGYGMSSA-N 0 3 283.375 2.844 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000164595604 379019630 /nfs/dbraw/zinc/01/96/30/379019630.db2.gz YRTYKNGPZBDSGM-HZPDHXFCSA-N 0 3 276.424 2.698 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000168965954 379100148 /nfs/dbraw/zinc/10/01/48/379100148.db2.gz DHHJSRIKWDXNJN-ZNMIVQPWSA-N 0 3 272.348 2.589 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000168966134 379100862 /nfs/dbraw/zinc/10/08/62/379100862.db2.gz DHHJSRIKWDXNJN-KFWWJZLASA-N 0 3 272.348 2.589 20 30 CFEDHN C=C(C)[C@H](NC[C@H](O)CCOCC)c1ccc(F)c(F)c1 ZINC000278830627 194173652 /nfs/dbraw/zinc/17/36/52/194173652.db2.gz QFTWVDOBPCOKFB-CJNGLKHVSA-N 0 3 299.361 2.959 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000334402083 379236107 /nfs/dbraw/zinc/23/61/07/379236107.db2.gz ZKFTZMQYZQDYAL-CZUORRHYSA-N 0 3 258.365 2.866 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3cccnc3)C2)cc1 ZINC000335421626 379267287 /nfs/dbraw/zinc/26/72/87/379267287.db2.gz USOQRZRVHGRTOX-QGZVFWFLSA-N 0 3 263.344 2.943 20 30 CFEDHN C[C@@H](NCCO[C@@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278936547 194220745 /nfs/dbraw/zinc/22/07/45/194220745.db2.gz XTELVWDAZLWKOU-CZUORRHYSA-N 0 3 274.364 2.752 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(F)ccc2C)CC1 ZINC000171741362 379391537 /nfs/dbraw/zinc/39/15/37/379391537.db2.gz MQFOVNNPMKPMGD-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN CC[C@H](C)CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000171952205 379450431 /nfs/dbraw/zinc/45/04/31/379450431.db2.gz VAXJSHXEMDQRPG-XJKSGUPXSA-N 0 3 285.391 2.641 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000335499487 379406293 /nfs/dbraw/zinc/40/62/93/379406293.db2.gz HPZVGRZNAIEHFC-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C#CCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278967104 194234960 /nfs/dbraw/zinc/23/49/60/194234960.db2.gz XMFRRRXKZZRXBJ-UHFFFAOYSA-N 0 3 259.324 2.744 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000335673098 379698792 /nfs/dbraw/zinc/69/87/92/379698792.db2.gz BLSQDBQESRAQIB-ZDUSSCGKSA-N 0 3 298.390 2.639 20 30 CFEDHN CC1(C)CN(Cc2ccc(CC#N)cc2)[C@@H]2COC[C@@H]21 ZINC000334634824 379672015 /nfs/dbraw/zinc/67/20/15/379672015.db2.gz PWMWHGLXTFTKLX-JKSUJKDBSA-N 0 3 270.376 2.609 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CCC1 ZINC000173580489 379754874 /nfs/dbraw/zinc/75/48/74/379754874.db2.gz DFCVWURBVZSBNB-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN COCCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000529637344 383739658 /nfs/dbraw/zinc/73/96/58/383739658.db2.gz DPZZJMIIHVYVMG-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN Cn1cc(CN2CCC[C@]3(CCSC3)C2)cc1C#N ZINC000334673981 379747429 /nfs/dbraw/zinc/74/74/29/379747429.db2.gz DOEFZQIZPGKUER-HNNXBMFYSA-N 0 3 275.421 2.616 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000173199560 379709533 /nfs/dbraw/zinc/70/95/33/379709533.db2.gz QFCAXZKXPFKWEU-AWEZNQCLSA-N 0 3 293.455 2.905 20 30 CFEDHN COc1cccc([C@H](CNCc2ccc(C#N)o2)N(C)C)c1 ZINC000174237942 379849064 /nfs/dbraw/zinc/84/90/64/379849064.db2.gz BTYQQVLQXOYBPA-KRWDZBQOSA-N 0 3 299.374 2.552 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000334738263 379853909 /nfs/dbraw/zinc/85/39/09/379853909.db2.gz IITKKEUHCMLZQL-BBRMVZONSA-N 0 3 258.365 2.724 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000334738272 379854589 /nfs/dbraw/zinc/85/45/89/379854589.db2.gz IITKKEUHCMLZQL-XJKSGUPXSA-N 0 3 258.365 2.724 20 30 CFEDHN C[C@H]1CCCN(C(C)(C)CNCc2ccc(C#N)o2)C1 ZINC000174299441 379859736 /nfs/dbraw/zinc/85/97/36/379859736.db2.gz BFJHZEDOWRDMEW-ZDUSSCGKSA-N 0 3 275.396 2.751 20 30 CFEDHN COc1ccc(CNCc2ccc([C@H](C)O)cc2)cc1C#N ZINC000174300560 379860143 /nfs/dbraw/zinc/86/01/43/379860143.db2.gz AYAQMAQLGDXZAI-ZDUSSCGKSA-N 0 3 296.370 2.910 20 30 CFEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000174309125 379860830 /nfs/dbraw/zinc/86/08/30/379860830.db2.gz SIYHWHDZBHBACL-SWLSCSKDSA-N 0 3 286.379 2.505 20 30 CFEDHN N#Cc1cccc(CN2CCC3(C2)CCOCC3)c1F ZINC000335770240 379861095 /nfs/dbraw/zinc/86/10/95/379861095.db2.gz JFNWATKXRHUGGV-UHFFFAOYSA-N 0 3 274.339 2.700 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN(c3ccc(F)cc3)C2)o1 ZINC000174303845 379861805 /nfs/dbraw/zinc/86/18/05/379861805.db2.gz LQKILZYURBHGSW-CYBMUJFWSA-N 0 3 299.349 2.906 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN(c3ccc(F)cc3)C2)o1 ZINC000174303860 379861953 /nfs/dbraw/zinc/86/19/53/379861953.db2.gz LQKILZYURBHGSW-ZDUSSCGKSA-N 0 3 299.349 2.906 20 30 CFEDHN COc1ccc(CNC[C@@H](O)C2CCCCC2)cc1C#N ZINC000174342965 379867168 /nfs/dbraw/zinc/86/71/68/379867168.db2.gz OCTGPNZTSQEWBA-MRXNPFEDSA-N 0 3 288.391 2.598 20 30 CFEDHN COc1cccc(CCCNCc2ccc(C#N)o2)c1 ZINC000174357286 379870501 /nfs/dbraw/zinc/87/05/01/379870501.db2.gz GWGWEXYBYXJXEZ-UHFFFAOYSA-N 0 3 270.332 2.882 20 30 CFEDHN CS[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000174406608 379878890 /nfs/dbraw/zinc/87/88/90/379878890.db2.gz JERPCFSBGQXUJQ-MFKMUULPSA-N 0 3 250.367 2.915 20 30 CFEDHN COc1ccc(CN[C@H](C)Cc2c(C)noc2C)cc1C#N ZINC000174416713 379880857 /nfs/dbraw/zinc/88/08/57/379880857.db2.gz MWCOPVJTVPMZAD-LLVKDONJSA-N 0 3 299.374 2.893 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000335083490 379969926 /nfs/dbraw/zinc/96/99/26/379969926.db2.gz AUOWGHLOCUBCGS-JQWIXIFHSA-N 0 3 262.740 2.816 20 30 CFEDHN CC(C#N)C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000335813784 379931484 /nfs/dbraw/zinc/93/14/84/379931484.db2.gz NWPMMHBTTFLQHL-GCVQQVDUSA-N 0 3 274.286 2.918 20 30 CFEDHN Cc1[nH]c2ccc(CNC(=O)C(C)C#N)cc2c1C ZINC000335148937 379984130 /nfs/dbraw/zinc/98/41/30/379984130.db2.gz IWTDPQWUHCKUMW-VIFPVBQESA-N 0 3 255.321 2.561 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000335864280 380015555 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380579038 /nfs/dbraw/zinc/57/90/38/380579038.db2.gz BAIPYVBYARYNPZ-LBPRGKRZSA-N 0 3 267.332 2.533 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000432553635 383748023 /nfs/dbraw/zinc/74/80/23/383748023.db2.gz ACDUMMHCPXAMIK-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000180916685 380711798 /nfs/dbraw/zinc/71/17/98/380711798.db2.gz LKJKEDXRDHPXGE-IHRRRGAJSA-N 0 3 279.428 2.656 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@H]1CCCC[C@@H]1O ZINC000181092429 380736900 /nfs/dbraw/zinc/73/69/00/380736900.db2.gz GQXSDWSECZJQJK-RISCZKNCSA-N 0 3 264.394 2.603 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000181100212 380740122 /nfs/dbraw/zinc/74/01/22/380740122.db2.gz WMZRNXDCOGLWTE-NSHDSACASA-N 0 3 264.350 2.612 20 30 CFEDHN COC[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000181677255 380862865 /nfs/dbraw/zinc/86/28/65/380862865.db2.gz ARZROBCFZZBDFI-GOSISDBHSA-N 0 3 296.370 2.914 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccccc1OCC1CC1 ZINC000341253652 380866595 /nfs/dbraw/zinc/86/65/95/380866595.db2.gz DDOYXYNLVUBRCA-HNNXBMFYSA-N 0 3 275.392 2.750 20 30 CFEDHN C=CC[C@H](CO)CNCc1cnc(CC(C)C)s1 ZINC000341257293 380871911 /nfs/dbraw/zinc/87/19/11/380871911.db2.gz JZARBEBBDDLIHW-LBPRGKRZSA-N 0 3 268.426 2.616 20 30 CFEDHN CO[C@@H](C)CN(Cc1cc(C#N)cs1)C(C)C ZINC000353790765 380853747 /nfs/dbraw/zinc/85/37/47/380853747.db2.gz FAOODDZEEXMCBX-NSHDSACASA-N 0 3 252.383 2.865 20 30 CFEDHN COCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000358562352 380929036 /nfs/dbraw/zinc/92/90/36/380929036.db2.gz GQTXYPHHEIKBKD-WDEREUQCSA-N 0 3 250.317 2.773 20 30 CFEDHN CO[C@H]([C@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000403978953 380897889 /nfs/dbraw/zinc/89/78/89/380897889.db2.gz ALYBKFLEJFFLBZ-ZUZCIYMTSA-N 0 3 262.328 2.600 20 30 CFEDHN C[C@H](NC[C@@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358556624 380922993 /nfs/dbraw/zinc/92/29/93/380922993.db2.gz MWRUOSSGBPLPFZ-AAEUAGOBSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1ccc(C#N)c(F)c1 ZINC000341311491 380924470 /nfs/dbraw/zinc/92/44/70/380924470.db2.gz WSLFLRCDRFJTEQ-GARJFASQSA-N 0 3 250.317 2.507 20 30 CFEDHN CCC[C@@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000295537975 380924678 /nfs/dbraw/zinc/92/46/78/380924678.db2.gz OBOFVYJBSIWPOX-MRXNPFEDSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000181999457 380959186 /nfs/dbraw/zinc/95/91/86/380959186.db2.gz USWGTPPUDJPSHZ-SWLSCSKDSA-N 0 3 285.391 2.608 20 30 CFEDHN C=C(C)CN(CC)CCOc1ccccc1C(=O)OC ZINC000182033974 380971643 /nfs/dbraw/zinc/97/16/43/380971643.db2.gz YCJZFEYSJHQECU-UHFFFAOYSA-N 0 3 277.364 2.750 20 30 CFEDHN Cc1cc(C#N)nc(SCCN(C)Cc2ccccc2)n1 ZINC000287932044 380975196 /nfs/dbraw/zinc/97/51/96/380975196.db2.gz XHTQOVVTQOFQPF-UHFFFAOYSA-N 0 3 298.415 2.881 20 30 CFEDHN C=CCCOCCNCc1ccc(C(C)(C)O)cc1 ZINC000295623037 380981371 /nfs/dbraw/zinc/98/13/71/380981371.db2.gz FFNJJDXKTIRSNX-UHFFFAOYSA-N 0 3 263.381 2.596 20 30 CFEDHN C[C@H](NCCCn1cccn1)c1ccc(C#N)cc1F ZINC000358567885 380933783 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/nfs/dbraw/zinc/07/31/21/381073121.db2.gz DSLFTYPLIFWVHB-TZMCWYRMSA-N 0 3 264.325 2.573 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1cccc(Br)c1 ZINC000289638792 381080883 /nfs/dbraw/zinc/08/08/83/381080883.db2.gz FPTGGEGOJDSHJV-SKDRFNHKSA-N 0 3 270.170 2.647 20 30 CFEDHN C#CCO[C@@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000295796347 381080893 /nfs/dbraw/zinc/08/08/93/381080893.db2.gz DPNPPDFBCQAXOM-LBPRGKRZSA-N 0 3 285.347 2.509 20 30 CFEDHN CC#CCCNCc1cnn(-c2ccc(F)cc2)c1 ZINC000354177865 381121629 /nfs/dbraw/zinc/12/16/29/381121629.db2.gz ITMHNLOCGCDJIO-UHFFFAOYSA-N 0 3 257.312 2.514 20 30 CFEDHN CC#CCCNCc1cc(OC)c(OCC)c(OC)c1 ZINC000354176995 381121715 /nfs/dbraw/zinc/12/17/15/381121715.db2.gz FWXHXRVWSCAVMX-UHFFFAOYSA-N 0 3 277.364 2.606 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)cc2F)C1 ZINC000368667672 381105056 /nfs/dbraw/zinc/10/50/56/381105056.db2.gz AQNRUDIOYLBYDT-CQSZACIVSA-N 0 3 276.355 2.946 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289696047 381108837 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/nfs/dbraw/zinc/25/81/87/381258187.db2.gz YVLKLFYEJAUWEY-UHFFFAOYSA-N 0 3 264.413 2.514 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCCCC)c1 ZINC000290013506 381260601 /nfs/dbraw/zinc/26/06/01/381260601.db2.gz YYYYLYMWOUJVLI-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN N#Cc1cccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000290020572 381264776 /nfs/dbraw/zinc/26/47/76/381264776.db2.gz ZLBUXRGIAIGFHY-RTBURBONSA-N 0 3 292.382 2.814 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000289924794 381220823 /nfs/dbraw/zinc/22/08/23/381220823.db2.gz VCWQSDWQHIFCMM-PSASIEDQSA-N 0 3 288.160 2.786 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000289931398 381223317 /nfs/dbraw/zinc/22/33/17/381223317.db2.gz VNDXKMNJVQROLC-GWCFXTLKSA-N 0 3 287.281 2.709 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](c1nc(C)cs1)C1CC1 ZINC000183560656 381287314 /nfs/dbraw/zinc/28/73/14/381287314.db2.gz HQEVRRMRZVCOQI-OLZOCXBDSA-N 0 3 266.410 2.819 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1-c1cccnc1)C(C)(C)C ZINC000290074049 381288730 /nfs/dbraw/zinc/28/87/30/381288730.db2.gz FZVSNKGHKCJAPS-OAHLLOKOSA-N 0 3 282.391 2.620 20 30 CFEDHN CC(=O)NCC[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000347683698 381297115 /nfs/dbraw/zinc/29/71/15/381297115.db2.gz YDGWIYYOMQGCOE-ZBFHGGJFSA-N 0 3 299.418 2.857 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000347687521 381299094 /nfs/dbraw/zinc/29/90/94/381299094.db2.gz ISHJMPSPFQCUHC-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN C#C[C@@H](NCc1ccc(C#N)c(OC)c1)C(C)(C)C ZINC000290103494 381299585 /nfs/dbraw/zinc/29/95/85/381299585.db2.gz HVYINPHHIBSMGA-OAHLLOKOSA-N 0 3 256.349 2.704 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000354447502 381273777 /nfs/dbraw/zinc/27/37/77/381273777.db2.gz OHVFQWAEOCVITA-GASCZTMLSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCCN1CCCCC1 ZINC000183500184 381280416 /nfs/dbraw/zinc/28/04/16/381280416.db2.gz UQHNZPRLVLPOEK-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000183545020 381285383 /nfs/dbraw/zinc/28/53/83/381285383.db2.gz HECXWFLMBDILAT-OFQRWUPVSA-N 0 3 293.455 2.761 20 30 CFEDHN COCC(C)(C)CCCNCc1ccc(C#N)o1 ZINC000290157666 381323816 /nfs/dbraw/zinc/32/38/16/381323816.db2.gz PRBNSPHCWUSXDR-UHFFFAOYSA-N 0 3 250.342 2.694 20 30 CFEDHN C#C[C@H](NCc1cn(C)nc1-c1ccncc1)C(C)(C)C ZINC000290207659 381342724 /nfs/dbraw/zinc/34/27/24/381342724.db2.gz QDLVXNAZMMZUOV-HNNXBMFYSA-N 0 3 282.391 2.620 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1cccc(C)c1C ZINC000183706825 381309831 /nfs/dbraw/zinc/30/98/31/381309831.db2.gz NQFZEVVTCLYRBI-HNNXBMFYSA-N 0 3 287.407 2.716 20 30 CFEDHN C#Cc1ccc(CN2CC[C@](CO)(CCC)C2)cc1 ZINC000290229508 381350280 /nfs/dbraw/zinc/35/02/80/381350280.db2.gz SQIKDWWOXUNHGX-QGZVFWFLSA-N 0 3 257.377 2.652 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2C)CC1 ZINC000342476419 381350543 /nfs/dbraw/zinc/35/05/43/381350543.db2.gz NXTJHTMDOSRTJM-GOEBONIOSA-N 0 3 276.424 2.745 20 30 CFEDHN C#CCCCCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290348472 381393662 /nfs/dbraw/zinc/39/36/62/381393662.db2.gz FVRCTVALPKRTRS-INIZCTEOSA-N 0 3 290.382 2.738 20 30 CFEDHN C=CCOCCCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348234289 381474007 /nfs/dbraw/zinc/47/40/07/381474007.db2.gz AWPSUAVKTADFDV-WDEREUQCSA-N 0 3 251.292 2.852 20 30 CFEDHN C=CCOCCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000348034091 381454537 /nfs/dbraw/zinc/45/45/37/381454537.db2.gz NJILBXUANQNGAI-HNNXBMFYSA-N 0 3 285.334 2.835 20 30 CFEDHN C=CCOCCCN1Cc2ccccc2OC[C@@H]1C ZINC000348061504 381461180 /nfs/dbraw/zinc/46/11/80/381461180.db2.gz YXZVRKKKENFUOB-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(C)C#N ZINC000348098942 381462721 /nfs/dbraw/zinc/46/27/21/381462721.db2.gz GCJTXHPSCSNQQE-CYBMUJFWSA-N 0 3 296.374 2.772 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(COCCOC)cc1 ZINC000348133843 381464552 /nfs/dbraw/zinc/46/45/52/381464552.db2.gz LWRTXHGLBVBIQZ-UHFFFAOYSA-N 0 3 263.381 2.858 20 30 CFEDHN CC1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348194901 381470473 /nfs/dbraw/zinc/47/04/73/381470473.db2.gz JPWWJBUIXSAQRA-BLDCVEFLSA-N 0 3 295.386 2.935 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000342739039 381509455 /nfs/dbraw/zinc/50/94/55/381509455.db2.gz VCKILFIZTAGZCL-AWEZNQCLSA-N 0 3 290.407 2.723 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000342741329 381511091 /nfs/dbraw/zinc/51/10/91/381511091.db2.gz UHZVXCUZQJGXSL-CQSZACIVSA-N 0 3 260.381 2.508 20 30 CFEDHN C[C@H](CO)N(Cc1cc(C#N)cs1)CC1CCC1 ZINC000348333932 381513228 /nfs/dbraw/zinc/51/32/28/381513228.db2.gz DCLYGHWKTMRGRS-LLVKDONJSA-N 0 3 264.394 2.603 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(Cl)cn1 ZINC000359627479 381519667 /nfs/dbraw/zinc/51/96/67/381519667.db2.gz CRGQDUWNTIHAHZ-GHMZBOCLSA-N 0 3 254.761 2.570 20 30 CFEDHN CC#CCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184914463 381494434 /nfs/dbraw/zinc/49/44/34/381494434.db2.gz LHYZGUMDDKBPMQ-INIZCTEOSA-N 0 3 272.392 2.599 20 30 CFEDHN COc1cc(CN(C)CCCn2ccnc2C)ccc1C#N ZINC000290609846 381497613 /nfs/dbraw/zinc/49/76/13/381497613.db2.gz WMEVDJNHFHHTLE-UHFFFAOYSA-N 0 3 298.390 2.594 20 30 CFEDHN C=CCNC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000296666581 381498731 /nfs/dbraw/zinc/49/87/31/381498731.db2.gz KLIKZYUHHRBYJA-IIAWOOMASA-N 0 3 272.392 2.555 20 30 CFEDHN COc1ccc([C@H](CN(C)C)N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000342795008 381545719 /nfs/dbraw/zinc/54/57/19/381545719.db2.gz VKCZYVOEYZWVDO-UNEWFSDZSA-N 0 3 287.407 2.580 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCCN1CC ZINC000359677089 381549672 /nfs/dbraw/zinc/54/96/72/381549672.db2.gz GDWYLXXHONBCRA-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C[C@@H](CCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348449836 381573315 /nfs/dbraw/zinc/57/33/15/381573315.db2.gz YGLRZXKSUMZTMZ-GUYCJALGSA-N 0 3 295.386 2.935 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1ccccc1S(C)(=O)=O ZINC000414243113 381573477 /nfs/dbraw/zinc/57/34/77/381573477.db2.gz QVQKPDJIPCLRAP-CHWSQXEVSA-N 0 3 281.421 2.780 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)N[C@@H](C)CS(=O)(=O)CC ZINC000414293482 381575614 /nfs/dbraw/zinc/57/56/14/381575614.db2.gz CTSNXSRYODMMJX-HOCLYGCPSA-N 0 3 295.448 2.587 20 30 CFEDHN N#Cc1c(Cl)cccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000297269502 381555153 /nfs/dbraw/zinc/55/51/53/381555153.db2.gz WRGLLHVROZTQHT-GFCCVEGCSA-N 0 3 273.767 2.662 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1ccccc1-n1ccnn1 ZINC000414165405 381566104 /nfs/dbraw/zinc/56/61/04/381566104.db2.gz LXARIHVPRFLMBG-CYBMUJFWSA-N 0 3 283.379 2.858 20 30 CFEDHN CC[C@H](CC(F)(F)F)NCc1cc(C#N)n(C)c1 ZINC000359707011 381570842 /nfs/dbraw/zinc/57/08/42/381570842.db2.gz PNRARCOIXBPXHU-SNVBAGLBSA-N 0 3 259.275 2.717 20 30 CFEDHN FC(F)O[C@H]1CCC[C@@H]1NCC#Cc1ccccc1 ZINC000348519738 381604786 /nfs/dbraw/zinc/60/47/86/381604786.db2.gz FUGCPTJUJMVWPT-KBPBESRZSA-N 0 3 265.303 2.788 20 30 CFEDHN N#Cc1cccc(NC(=O)NCCN2CCCCCC2)c1 ZINC000298394554 381606155 /nfs/dbraw/zinc/60/61/55/381606155.db2.gz LCYBDERTPOJWRB-UHFFFAOYSA-N 0 3 286.379 2.556 20 30 CFEDHN C=C[C@H](C)NCc1cn(-c2cccc(F)c2)nc1C ZINC000414382239 381585091 /nfs/dbraw/zinc/58/50/91/381585091.db2.gz RBEZTXXVEUCPBC-NSHDSACASA-N 0 3 259.328 2.984 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cccc(C#N)n1 ZINC000185420569 381628593 /nfs/dbraw/zinc/62/85/93/381628593.db2.gz FHJCYPZRMLNGCE-PBHICJAKSA-N 0 3 292.386 2.886 20 30 CFEDHN C=C(Cl)CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000298409845 381613681 /nfs/dbraw/zinc/61/36/81/381613681.db2.gz FLCBDIVWPWEZSG-UONOGXRCSA-N 0 3 250.773 2.774 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCC[C@H]3C3CC3)n2c1 ZINC000371419546 381620333 /nfs/dbraw/zinc/62/03/33/381620333.db2.gz NOIXXOUSKMWZIM-HNNXBMFYSA-N 0 3 266.348 2.580 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H]2CCC[C@H]21 ZINC000355117683 381623469 /nfs/dbraw/zinc/62/34/69/381623469.db2.gz ZIZMXFIQHXTFLS-DZGCQCFKSA-N 0 3 256.349 2.941 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(F)ccc1OC ZINC000291017937 381634218 /nfs/dbraw/zinc/63/42/18/381634218.db2.gz GHRQQZGQUCHJHJ-WBMJQRKESA-N 0 3 279.355 2.905 20 30 CFEDHN C=CCN(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077642 381658137 /nfs/dbraw/zinc/65/81/37/381658137.db2.gz GEHBZAVCJHOUQF-LBPRGKRZSA-N 0 3 259.271 2.857 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1CCC ZINC000343246233 381669900 /nfs/dbraw/zinc/66/99/00/381669900.db2.gz HDSGHLYLLBSZQJ-KBPBESRZSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCOCCN[C@@H]1CCCOc2cc(OC)ccc21 ZINC000371864686 381712456 /nfs/dbraw/zinc/71/24/56/381712456.db2.gz NKBRBZVGUIQUSX-OAHLLOKOSA-N 0 3 277.364 2.701 20 30 CFEDHN COCC1=CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000185806719 381739908 /nfs/dbraw/zinc/73/99/08/381739908.db2.gz YMEMDXMUUJUWMC-UHFFFAOYSA-N 0 3 286.375 2.606 20 30 CFEDHN CC#CCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000360474372 381781426 /nfs/dbraw/zinc/78/14/26/381781426.db2.gz OQFFQSOYRCUHBZ-UHFFFAOYSA-N 0 3 283.371 2.960 20 30 CFEDHN CN(C)C[C@@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000355549312 381782500 /nfs/dbraw/zinc/78/25/00/381782500.db2.gz VOXHKBQSZBUTPC-IRXDYDNUSA-N 0 3 299.418 2.627 20 30 CFEDHN C[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N(C)C1CC1 ZINC000355615705 381787390 /nfs/dbraw/zinc/78/73/90/381787390.db2.gz ACONOJZDHKJDQH-HOCLYGCPSA-N 0 3 299.418 2.673 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3[nH]ccc3s2)CC1 ZINC000355654840 381791140 /nfs/dbraw/zinc/79/11/40/381791140.db2.gz GNVOGYRPZJLMGA-UHFFFAOYSA-N 0 3 289.404 2.610 20 30 CFEDHN C#Cc1ccc(CN[C@H](C)COCC(F)(F)F)cc1 ZINC000289298667 197288248 /nfs/dbraw/zinc/28/82/48/197288248.db2.gz QOXFASYWUPZHMD-LLVKDONJSA-N 0 3 271.282 2.725 20 30 CFEDHN CCc1nn(C)c(CC)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185870041 381761782 /nfs/dbraw/zinc/76/17/82/381761782.db2.gz QADZWGVTKSCCLD-QWHCGFSZSA-N 0 3 274.412 2.717 20 30 CFEDHN C=CCN(CCc1ccccc1C(=O)OC)C1CC1 ZINC000360138400 381766388 /nfs/dbraw/zinc/76/63/88/381766388.db2.gz DBTHDSVWIBPNPG-UHFFFAOYSA-N 0 3 259.349 2.666 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000185881840 381768157 /nfs/dbraw/zinc/76/81/57/381768157.db2.gz QFOXJAAMAVLNDZ-STQMWFEESA-N 0 3 259.309 2.767 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)[C@H](CO)c1ccccc1 ZINC000343529075 381776909 /nfs/dbraw/zinc/77/69/09/381776909.db2.gz LXAYVAJLLCXFHN-GOSISDBHSA-N 0 3 280.371 2.918 20 30 CFEDHN C=CCN(CCc1ccco1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000298917529 381780303 /nfs/dbraw/zinc/78/03/03/381780303.db2.gz NHPQEPQHLCMRIK-QZTJIDSGSA-N 0 3 283.371 2.968 20 30 CFEDHN C=CCN(CCc1ccco1)[C@H]1Cc2ccccc2[C@H]1O ZINC000298917539 381780530 /nfs/dbraw/zinc/78/05/30/381780530.db2.gz NHPQEPQHLCMRIK-ZWKOTPCHSA-N 0 3 283.371 2.968 20 30 CFEDHN COCC1(C#N)CCN([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361378468 381822979 /nfs/dbraw/zinc/82/29/79/381822979.db2.gz RDEDZKCSBMCBAH-CVEARBPZSA-N 0 3 270.376 2.795 20 30 CFEDHN N#CCSCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361559314 381844915 /nfs/dbraw/zinc/84/49/15/381844915.db2.gz PJPROMNUYPDMFG-UHFFFAOYSA-N 0 3 288.416 2.886 20 30 CFEDHN CCN(CC1CCC1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000361481190 381836530 /nfs/dbraw/zinc/83/65/30/381836530.db2.gz KFVJCDRYUMSDRW-XJKSGUPXSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000361543681 381841801 /nfs/dbraw/zinc/84/18/01/381841801.db2.gz PIZMLAWJLYYISZ-OAHLLOKOSA-N 0 3 278.440 2.945 20 30 CFEDHN C=CCOCCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000292867206 381875264 /nfs/dbraw/zinc/87/52/64/381875264.db2.gz SCNKECWIKVCDPA-KBPBESRZSA-N 0 3 281.421 2.839 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000292870991 381876773 /nfs/dbraw/zinc/87/67/73/381876773.db2.gz SKKNLCSZYRLPLH-INIZCTEOSA-N 0 3 290.382 2.642 20 30 CFEDHN C=CC[C@H](C)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416166639 381881564 /nfs/dbraw/zinc/88/15/64/381881564.db2.gz NGAWGEUIHPAUJD-DZGCQCFKSA-N 0 3 260.381 2.760 20 30 CFEDHN C=C1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000416150869 381881701 /nfs/dbraw/zinc/88/17/01/381881701.db2.gz MRNSWLQTBQQSNG-MRXNPFEDSA-N 0 3 272.392 2.858 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000416253906 381883394 /nfs/dbraw/zinc/88/33/94/381883394.db2.gz TYCGIAKOFBLIHI-STQMWFEESA-N 0 3 294.395 2.649 20 30 CFEDHN CN(C)[C@H](CC(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000416253517 381883469 /nfs/dbraw/zinc/88/34/69/381883469.db2.gz SDUQSQLHIRVPQW-OAHLLOKOSA-N 0 3 287.407 2.735 20 30 CFEDHN CN(CCCOCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000343676877 381883991 /nfs/dbraw/zinc/88/39/91/381883991.db2.gz LQBNNHFWDGQHRX-UHFFFAOYSA-N 0 3 297.402 2.935 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2ccccc2)CC1 ZINC000299155940 381846000 /nfs/dbraw/zinc/84/60/00/381846000.db2.gz OYGBIVYARSTBJF-QGZVFWFLSA-N 0 3 284.403 2.599 20 30 CFEDHN C=C(CC)CN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361611066 381849889 /nfs/dbraw/zinc/84/98/89/381849889.db2.gz PBNCBUBSKUQPJL-OAHLLOKOSA-N 0 3 253.386 2.613 20 30 CFEDHN COC(=O)CC[C@H](CC1CCCCC1)NC(=O)C(C)C#N ZINC000416269271 381886068 /nfs/dbraw/zinc/88/60/68/381886068.db2.gz CQEXDRKLWUNPQD-GXTWGEPZSA-N 0 3 294.395 2.554 20 30 CFEDHN C=CCN(CCOC)CCO[C@H]1CCCC[C@H]1C ZINC000362050686 381886303 /nfs/dbraw/zinc/88/63/03/381886303.db2.gz SADINVVQHIGLHO-CABCVRRESA-N 0 3 255.402 2.716 20 30 CFEDHN C=CCN(C(=O)Nc1ccccc1CNC)C1CC1 ZINC000415899094 381868810 /nfs/dbraw/zinc/86/88/10/381868810.db2.gz IUQWOJOHWZCWSN-UHFFFAOYSA-N 0 3 259.353 2.588 20 30 CFEDHN C[C@]1(CCCO)CCCN1CC#Cc1ccccc1 ZINC000361864541 381869142 /nfs/dbraw/zinc/86/91/42/381869142.db2.gz ATHBXIZKJHBFHG-QGZVFWFLSA-N 0 3 257.377 2.665 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1cccc(CNC)c1 ZINC000415939125 381871205 /nfs/dbraw/zinc/87/12/05/381871205.db2.gz ZZBLFQROZIYFNO-UHFFFAOYSA-N 0 3 259.353 2.612 20 30 CFEDHN CC(C)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186283940 381873252 /nfs/dbraw/zinc/87/32/52/381873252.db2.gz MEURDPKRMGPSRO-CQSZACIVSA-N 0 3 257.381 2.645 20 30 CFEDHN C=CCOCCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000292867210 381874451 /nfs/dbraw/zinc/87/44/51/381874451.db2.gz SCNKECWIKVCDPA-UONOGXRCSA-N 0 3 281.421 2.839 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000373114632 381930323 /nfs/dbraw/zinc/93/03/23/381930323.db2.gz BRALUSYQRJMZIW-OAHLLOKOSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343738152 381917861 /nfs/dbraw/zinc/91/78/61/381917861.db2.gz PEWRUDCDBXWOKA-JTQLQIEISA-N 0 3 273.302 2.804 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)C[C@H](C)CC ZINC000343690472 381889907 /nfs/dbraw/zinc/88/99/07/381889907.db2.gz RJOKGZJKSJYDON-HUUCEWRRSA-N 0 3 266.429 2.944 20 30 CFEDHN C#CCCN1CCC[C@H](OCc2ccccc2F)C1 ZINC000373406501 381996674 /nfs/dbraw/zinc/99/66/74/381996674.db2.gz RINJVTOKZIBLSB-HNNXBMFYSA-N 0 3 261.340 2.830 20 30 CFEDHN CCN(C[C@@H](C)C#N)C[C@H](C)CC1CCOCC1 ZINC000350006001 382002049 /nfs/dbraw/zinc/00/20/49/382002049.db2.gz FEVDNIAOCYMGLJ-KGLIPLIRSA-N 0 3 252.402 2.921 20 30 CFEDHN CCN(C[C@@H](C)C#N)C[C@@H](C)CC1CCOCC1 ZINC000350006000 382002228 /nfs/dbraw/zinc/00/22/28/382002228.db2.gz FEVDNIAOCYMGLJ-KBPBESRZSA-N 0 3 252.402 2.921 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000186685674 381984907 /nfs/dbraw/zinc/98/49/07/381984907.db2.gz ULBNRTPIRDPTCT-ZFWWWQNUSA-N 0 3 273.376 2.960 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000349822962 381992339 /nfs/dbraw/zinc/99/23/39/381992339.db2.gz RFGMLMKMUSQHBZ-JQWIXIFHSA-N 0 3 292.766 2.893 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000349823313 381993636 /nfs/dbraw/zinc/99/36/36/381993636.db2.gz UFXVWYADYWJVGH-UKRRQHHQSA-N 0 3 266.348 2.654 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC(C)(CC(C)C)CC1 ZINC000343991001 382052172 /nfs/dbraw/zinc/05/21/72/382052172.db2.gz KPYGMPRQTJDTFV-UHFFFAOYSA-N 0 3 293.455 2.897 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000343995234 382055848 /nfs/dbraw/zinc/05/58/48/382055848.db2.gz BWUNQJMCMAFOSF-UMVBOHGHSA-N 0 3 256.349 2.941 20 30 CFEDHN C=C(C)CCN1CCN(Cc2cccc(F)c2)CC1 ZINC000351723267 382059452 /nfs/dbraw/zinc/05/94/52/382059452.db2.gz YTOCVGOLFWXKDZ-UHFFFAOYSA-N 0 3 262.372 2.910 20 30 CFEDHN C=C(C)CN(CC)Cc1ccccc1C(=O)N(C)C ZINC000417746407 382063320 /nfs/dbraw/zinc/06/33/20/382063320.db2.gz PNLMTKPRWDUMOS-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN N#CCCCN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000375010882 382064782 /nfs/dbraw/zinc/06/47/82/382064782.db2.gz CSJANAFGGAPYRV-UHFFFAOYSA-N 0 3 266.348 2.956 20 30 CFEDHN C=CCN(CC(=O)N(C)CC)CC1CCCCC1 ZINC000351827722 382065552 /nfs/dbraw/zinc/06/55/52/382065552.db2.gz QICSZCURGSGZKN-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN CC(C)[C@H]1CN(CCOc2cccc(C#N)c2)CCCO1 ZINC000293201558 382028237 /nfs/dbraw/zinc/02/82/37/382028237.db2.gz QVJKVUJGSAFXTN-QGZVFWFLSA-N 0 3 288.391 2.684 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000362372448 382031794 /nfs/dbraw/zinc/03/17/94/382031794.db2.gz ZVJTZDIIIQNIIG-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C2CC2)O1 ZINC000374075785 382033640 /nfs/dbraw/zinc/03/36/40/382033640.db2.gz WXCROLGIWGMZCT-GDBMZVCRSA-N 0 3 292.423 2.586 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000351410835 382037728 /nfs/dbraw/zinc/03/77/28/382037728.db2.gz JYOKOTIHVSMNRF-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNc1cccnc1C#N ZINC000357238206 382072000 /nfs/dbraw/zinc/07/20/00/382072000.db2.gz MSPMRLGIKOFKNR-STQMWFEESA-N 0 3 258.369 2.628 20 30 CFEDHN Cc1n[nH]cc1C1CCN(CCCSCC#N)CC1 ZINC000375337294 382082035 /nfs/dbraw/zinc/08/20/35/382082035.db2.gz RKEIBSHOUZXHRL-UHFFFAOYSA-N 0 3 278.425 2.544 20 30 CFEDHN C=C[C@](C)(CC)C(=O)Nc1ccnc(OCCN(C)C)c1 ZINC000344046619 382091792 /nfs/dbraw/zinc/09/17/92/382091792.db2.gz KXJSGSGBFCXQHG-MRXNPFEDSA-N 0 3 291.395 2.563 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418252864 382136535 /nfs/dbraw/zinc/13/65/35/382136535.db2.gz OXCGFPNZNDDBSO-OAHLLOKOSA-N 0 3 289.423 2.760 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000344118820 382141048 /nfs/dbraw/zinc/14/10/48/382141048.db2.gz AGHSYUXWPZLZLY-SNPRPXQTSA-N 0 3 256.349 2.989 20 30 CFEDHN C=CCOCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000293485138 382141501 /nfs/dbraw/zinc/14/15/01/382141501.db2.gz MQARDMXWVNYBOH-HNNXBMFYSA-N 0 3 289.375 2.797 20 30 CFEDHN Cc1ccc(CN(C(=O)C(C)C#N)C(C)C)s1 ZINC000344138712 382152896 /nfs/dbraw/zinc/15/28/96/382152896.db2.gz TUZJWFDRRNZZGU-SNVBAGLBSA-N 0 3 250.367 2.953 20 30 CFEDHN C=CCN(C(=O)NC[C@@H](N)c1ccccc1CC)C1CC1 ZINC000418645628 382170702 /nfs/dbraw/zinc/17/07/02/382170702.db2.gz DGAZRYJKMMMJBC-MRXNPFEDSA-N 0 3 287.407 2.609 20 30 CFEDHN C[C@H]1CCCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000187518458 382201005 /nfs/dbraw/zinc/20/10/05/382201005.db2.gz ADOPYXJFGXSTHV-ZDUSSCGKSA-N 0 3 268.364 2.828 20 30 CFEDHN CC[C@@]1(C)CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000344220310 382205273 /nfs/dbraw/zinc/20/52/73/382205273.db2.gz QFSCQKFITNSHTK-ZBFHGGJFSA-N 0 3 291.439 2.840 20 30 CFEDHN CN(CCN(C)C1CC1)Cc1ccc(Cl)cc1C#N ZINC000187565414 382212141 /nfs/dbraw/zinc/21/21/41/382212141.db2.gz AAZKDFOSLYYRHK-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN C=CCOCCN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000293647074 382213005 /nfs/dbraw/zinc/21/30/05/382213005.db2.gz SDYOGTCCHIWECR-FZMZJTMJSA-N 0 3 267.394 2.543 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000187589819 382218002 /nfs/dbraw/zinc/21/80/02/382218002.db2.gz QBDFHWHUZGNNQT-QGZVFWFLSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000363220478 382228978 /nfs/dbraw/zinc/22/89/78/382228978.db2.gz DBUXSGLPEIDTCC-UHFFFAOYSA-N 0 3 286.419 2.996 20 30 CFEDHN CO[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000293605661 382193535 /nfs/dbraw/zinc/19/35/35/382193535.db2.gz DRTVTNLRZOBHPP-MEBBXXQBSA-N 0 3 262.328 2.773 20 30 CFEDHN CO[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000293605664 382193974 /nfs/dbraw/zinc/19/39/74/382193974.db2.gz DRTVTNLRZOBHPP-ZUZCIYMTSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](C)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345115824 382285472 /nfs/dbraw/zinc/28/54/72/382285472.db2.gz UOVMFQZSQBEIHU-KKUMJFAQSA-N 0 3 299.418 2.719 20 30 CFEDHN COC[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187689209 382248080 /nfs/dbraw/zinc/24/80/80/382248080.db2.gz YVNABESSMRZLAC-ZFWWWQNUSA-N 0 3 258.365 2.978 20 30 CFEDHN CCOCCO[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187715484 382254835 /nfs/dbraw/zinc/25/48/35/382254835.db2.gz DTVYBNKVUUSCSM-YOEHRIQHSA-N 0 3 288.391 2.747 20 30 CFEDHN C[C@@H]1CCC[C@H](C)CN1CC(=O)NCc1cccc(C#N)c1 ZINC000357712490 382290794 /nfs/dbraw/zinc/29/07/94/382290794.db2.gz BTVJWTJICIQKFD-LSDHHAIUSA-N 0 3 299.418 2.685 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@H]2CCCO[C@@H]21 ZINC000344293820 382256712 /nfs/dbraw/zinc/25/67/12/382256712.db2.gz RISHTMIEUYVKGE-BMFZPTHFSA-N 0 3 288.366 2.991 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000357713765 382290868 /nfs/dbraw/zinc/29/08/68/382290868.db2.gz FRMZQLHMOAROQE-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(C2CC2)cc1 ZINC000419338578 382291866 /nfs/dbraw/zinc/29/18/66/382291866.db2.gz LKAYGXWAZLFOSL-AWEZNQCLSA-N 0 3 299.418 2.977 20 30 CFEDHN CCCCOc1ccc(CCNC(=O)C(C)C#N)cc1 ZINC000345782391 382313375 /nfs/dbraw/zinc/31/33/75/382313375.db2.gz NULROIBRADJBIA-ZDUSSCGKSA-N 0 3 274.364 2.684 20 30 CFEDHN CC(C)Oc1cccc([C@@H](C)NC(=O)C(C)C#N)c1 ZINC000345816969 382316105 /nfs/dbraw/zinc/31/61/05/382316105.db2.gz OKDSLRXZFODUCB-NWDGAFQWSA-N 0 3 260.337 2.811 20 30 CFEDHN CCCC[C@H](C)N(C)CC(=O)N(CC)C[C@H](C)C#N ZINC000352413661 382317055 /nfs/dbraw/zinc/31/70/55/382317055.db2.gz BGWLKPHZWVEZNA-KGLIPLIRSA-N 0 3 267.417 2.505 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000345886324 382319998 /nfs/dbraw/zinc/31/99/98/382319998.db2.gz NFSGOLYSWBVIHL-SECBINFHSA-N 0 3 282.265 2.970 20 30 CFEDHN Cc1cccc([C@H](NC(=O)C(C)C#N)c2ccccn2)c1 ZINC000345937054 382323671 /nfs/dbraw/zinc/32/36/71/382323671.db2.gz VGORXOYZTCBJOD-BBRMVZONSA-N 0 3 279.343 2.755 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)Cc2ccccc2C#N)C1 ZINC000188012286 382324450 /nfs/dbraw/zinc/32/44/50/382324450.db2.gz XZTZCJWFXLFSDH-CJNGLKHVSA-N 0 3 258.365 2.541 20 30 CFEDHN COc1cc(Cl)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000345990610 382326414 /nfs/dbraw/zinc/32/64/14/382326414.db2.gz JRHQEIMSNSQPPC-GFCCVEGCSA-N 0 3 287.706 2.629 20 30 CFEDHN Cn1ccc(C(=O)C(C#N)c2ccncn2)c1C1CCC1 ZINC000345993498 382327229 /nfs/dbraw/zinc/32/72/29/382327229.db2.gz NEVHARFQRVICKC-ZDUSSCGKSA-N 0 3 280.331 2.573 20 30 CFEDHN C[C@@H](N(CC(=O)NCC#N)Cc1ccccc1)C(C)(C)C ZINC000346029234 382328279 /nfs/dbraw/zinc/32/82/79/382328279.db2.gz IMGXNYCFBGJFBK-CQSZACIVSA-N 0 3 287.407 2.563 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000346025561 382328471 /nfs/dbraw/zinc/32/84/71/382328471.db2.gz YRDPNTNHRYRKHB-MNOVXSKESA-N 0 3 290.338 2.951 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](CC)N(CC)CC)CC1 ZINC000346053229 382329481 /nfs/dbraw/zinc/32/94/81/382329481.db2.gz CXCASQAJKLMRMK-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346136153 382332050 /nfs/dbraw/zinc/33/20/50/382332050.db2.gz DSDMBSGTRQLYPW-JYYAWHABSA-N 0 3 278.440 2.777 20 30 CFEDHN Cn1cc(CN2CCC([C@H]3CCCOC3)CC2)cc1C#N ZINC000365256910 382366287 /nfs/dbraw/zinc/36/62/87/382366287.db2.gz PXRNQGQIOJILEI-INIZCTEOSA-N 0 3 287.407 2.535 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000378063311 382392869 /nfs/dbraw/zinc/39/28/69/382392869.db2.gz WIYVVJQYDVLHDA-DLBZAZTESA-N 0 3 282.387 2.856 20 30 CFEDHN CC(C)[C@H](NCCCCC(C)(C)C#N)c1nncn1C ZINC000352464773 382347309 /nfs/dbraw/zinc/34/73/09/382347309.db2.gz XCHPXVCVXHDSSI-ZDUSSCGKSA-N 0 3 277.416 2.822 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CCC)CC(C)C ZINC000346582807 382424187 /nfs/dbraw/zinc/42/41/87/382424187.db2.gz OURLKEXDKRWNAL-UHFFFAOYSA-N 0 3 252.402 2.555 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352676913 382447774 /nfs/dbraw/zinc/44/77/74/382447774.db2.gz VCZOVDZQJXWCSA-RYUDHWBXSA-N 0 3 292.345 2.809 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1C1CC1 ZINC000378361146 382447810 /nfs/dbraw/zinc/44/78/10/382447810.db2.gz DQCOGVFTYHYYAI-HNNXBMFYSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294136598 382429285 /nfs/dbraw/zinc/42/92/85/382429285.db2.gz MPUDCNXSXZKABL-KRWDZBQOSA-N 0 3 276.424 2.699 20 30 CFEDHN CC[C@H](C)[C@@](C)(O)CNCc1cc(C#N)cs1 ZINC000304614402 382413815 /nfs/dbraw/zinc/41/38/15/382413815.db2.gz GCAOSLGNGJTXSP-GWCFXTLKSA-N 0 3 252.383 2.506 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)C2CCCC2)c(Cl)c1 ZINC000352708956 382454746 /nfs/dbraw/zinc/45/47/46/382454746.db2.gz YGJUCBBQRWGRTI-HNNXBMFYSA-N 0 3 278.783 2.852 20 30 CFEDHN C=CCOCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000294211984 382461748 /nfs/dbraw/zinc/46/17/48/382461748.db2.gz RWQTYZYUFHEPOE-CABCVRRESA-N 0 3 283.318 2.587 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@H]2C=CCCCCC2)C1=O ZINC000294212482 382461926 /nfs/dbraw/zinc/46/19/26/382461926.db2.gz RYLXOZIQDMGMPU-GJZGRUSLSA-N 0 3 262.397 2.594 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000352792379 382473799 /nfs/dbraw/zinc/47/37/99/382473799.db2.gz MBRFFAOUINNIIV-GDBMZVCRSA-N 0 3 272.392 2.762 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC2CCCC2)CC1 ZINC000358168473 382483258 /nfs/dbraw/zinc/48/32/58/382483258.db2.gz NSYGNBREWLSUPJ-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN CC(C)[C@@H](NCCCCC#N)c1nnc2ccccn21 ZINC000352964667 382486417 /nfs/dbraw/zinc/48/64/17/382486417.db2.gz GYCAXRMTFBTYOI-CQSZACIVSA-N 0 3 271.368 2.710 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)CC2CCCC2)cc1F ZINC000421404110 382521525 /nfs/dbraw/zinc/52/15/25/382521525.db2.gz XMHBPNYGQLJRPQ-HNNXBMFYSA-N 0 3 290.382 2.976 20 30 CFEDHN CC1=CCN(CCN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358243344 382523386 /nfs/dbraw/zinc/52/33/86/382523386.db2.gz VFUXARJKGCCYEB-CQSZACIVSA-N 0 3 287.382 3.000 20 30 CFEDHN OCC[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000421010567 382505467 /nfs/dbraw/zinc/50/54/67/382505467.db2.gz GDUIUMBRBAEYOB-KRWDZBQOSA-N 0 3 257.377 2.523 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000189031230 382528412 /nfs/dbraw/zinc/52/84/12/382528412.db2.gz JNDLHYSYIBWYRG-DLBZAZTESA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccccc1OCC=C ZINC000321519392 382540274 /nfs/dbraw/zinc/54/02/74/382540274.db2.gz XASYRIDYIILYTN-OAHLLOKOSA-N 0 3 261.365 2.668 20 30 CFEDHN CC(C#N)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000322620230 382541622 /nfs/dbraw/zinc/54/16/22/382541622.db2.gz NHUWVUVSMOPCMS-LURJTMIESA-N 0 3 264.133 2.679 20 30 CFEDHN CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C)N1CCCCC1 ZINC000328610219 382553226 /nfs/dbraw/zinc/55/32/26/382553226.db2.gz NMOLNYVDURQEBH-UMVBOHGHSA-N 0 3 295.427 2.961 20 30 CFEDHN Cc1occc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328625708 382556154 /nfs/dbraw/zinc/55/61/54/382556154.db2.gz KYAMTKFXDDHECT-HOCLYGCPSA-N 0 3 299.374 2.981 20 30 CFEDHN C[C@@H](CCCCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346884045 382559857 /nfs/dbraw/zinc/55/98/57/382559857.db2.gz QBFGPJUNAXAXPL-RYUDHWBXSA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@H](Cc1cnn(C)c1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346892502 382562142 /nfs/dbraw/zinc/56/21/42/382562142.db2.gz XOSQBBWQZLXSPA-NEPJUHHUSA-N 0 3 286.354 2.713 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1cc2c(s1)CCCC2 ZINC000353575300 382562847 /nfs/dbraw/zinc/56/28/47/382562847.db2.gz KPPLZFASUMEPDV-PWSUYJOCSA-N 0 3 251.395 2.824 20 30 CFEDHN CC(C)CN(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000346906798 382567356 /nfs/dbraw/zinc/56/73/56/382567356.db2.gz QURCJQRPXGAAAP-UHFFFAOYSA-N 0 3 299.418 2.707 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000295091253 382574311 /nfs/dbraw/zinc/57/43/11/382574311.db2.gz TVJMWOYUDOBYMQ-OAHLLOKOSA-N 0 3 258.365 2.805 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H](CO)C1CCCCC1 ZINC000386348138 382587677 /nfs/dbraw/zinc/58/76/77/382587677.db2.gz MNIYEURICPCVEZ-MRXNPFEDSA-N 0 3 288.391 2.598 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000295222512 382591184 /nfs/dbraw/zinc/59/11/84/382591184.db2.gz YGRBVQYYCXTROV-ZBFHGGJFSA-N 0 3 286.419 2.978 20 30 CFEDHN COc1cc(CN[C@H](C)c2cccc(CO)c2)ccc1C#N ZINC000353658216 382597944 /nfs/dbraw/zinc/59/79/44/382597944.db2.gz KJWYNQACRNCUBW-CYBMUJFWSA-N 0 3 296.370 2.910 20 30 CFEDHN CN(C)C1(CNc2cccc(Br)c2C#N)CC1 ZINC000397830111 382634541 /nfs/dbraw/zinc/63/45/41/382634541.db2.gz CLSBOGZRNOMVRO-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccco1 ZINC000367615217 382578243 /nfs/dbraw/zinc/57/82/43/382578243.db2.gz KNICUQKZSZZLPH-CVEARBPZSA-N 0 3 290.407 2.740 20 30 CFEDHN CC1=CCN(CCNc2c(C#N)nnc3ccccc32)CC1 ZINC000358344302 382579981 /nfs/dbraw/zinc/57/99/81/382579981.db2.gz OPVHJGCDDMNSDI-UHFFFAOYSA-N 0 3 293.374 2.565 20 30 CFEDHN CO[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[C@@H]1C ZINC000190048533 382651899 /nfs/dbraw/zinc/65/18/99/382651899.db2.gz DODVARXCKXFYSR-XEZPLFJOSA-N 0 3 258.365 2.976 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000190981796 382687369 /nfs/dbraw/zinc/68/73/69/382687369.db2.gz ZEKHAFKYXCISLK-SQWLQELKSA-N 0 3 266.429 2.825 20 30 CFEDHN CCOCCOCCN(C)[C@@H](C)c1ccc(C#N)cc1 ZINC000190261130 382659817 /nfs/dbraw/zinc/65/98/17/382659817.db2.gz CKFKCWIIPPLDDW-AWEZNQCLSA-N 0 3 276.380 2.604 20 30 CFEDHN CC(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1C ZINC000190761398 382679906 /nfs/dbraw/zinc/67/99/06/382679906.db2.gz YCTDYMSNKUDPBE-CQSZACIVSA-N 0 3 293.326 2.839 20 30 CFEDHN C[C@H](CNCc1cc(C#N)n(C)c1)N(C)c1ccccc1 ZINC000190766742 382679946 /nfs/dbraw/zinc/67/99/46/382679946.db2.gz PDIDBFBHRYUOOF-CQSZACIVSA-N 0 3 282.391 2.511 20 30 CFEDHN Cn1cc(CNCCOc2cccc(Cl)c2)cc1C#N ZINC000190833611 382681903 /nfs/dbraw/zinc/68/19/03/382681903.db2.gz MWOQLWRPRXBRCA-UHFFFAOYSA-N 0 3 289.766 2.719 20 30 CFEDHN C=CCN(CCOC)CCC(=O)Nc1ccc(Cl)cc1 ZINC000191148330 382693088 /nfs/dbraw/zinc/69/30/88/382693088.db2.gz QVOTUOHMITUJGL-UHFFFAOYSA-N 0 3 296.798 2.803 20 30 CFEDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000191306126 382698229 /nfs/dbraw/zinc/69/82/29/382698229.db2.gz KEGODRMEAKWLRS-NSHDSACASA-N 0 3 277.393 2.727 20 30 CFEDHN CO[C@@]1(C)C[C@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191434701 382700397 /nfs/dbraw/zinc/70/03/97/382700397.db2.gz POGHMMLOVIDMAI-HOCLYGCPSA-N 0 3 275.396 2.532 20 30 CFEDHN C#CCCCC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000192339618 382707459 /nfs/dbraw/zinc/70/74/59/382707459.db2.gz BBNDITJYZYZDKN-UHFFFAOYSA-N 0 3 288.391 2.677 20 30 CFEDHN CCN(C(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192549698 382710132 /nfs/dbraw/zinc/71/01/32/382710132.db2.gz GLHOXMMEPKBHDS-MRXNPFEDSA-N 0 3 285.391 2.784 20 30 CFEDHN C[C@@](O)(CN[C@H]1CCC[C@H](C#N)C1)c1cccs1 ZINC000192887711 382713400 /nfs/dbraw/zinc/71/34/00/382713400.db2.gz DAANZDCGFBWGHM-SGMGOOAPSA-N 0 3 264.394 2.628 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CC1CCC1)C(C)C ZINC000193214102 382717086 /nfs/dbraw/zinc/71/70/86/382717086.db2.gz IMKHIJSSMIGMAA-AWEZNQCLSA-N 0 3 279.428 2.505 20 30 CFEDHN CC[C@@H](C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000336826164 382723820 /nfs/dbraw/zinc/72/38/20/382723820.db2.gz IUPKHMINQOFCJR-CYBMUJFWSA-N 0 3 275.371 2.865 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](c2ccc(F)cc2)C(C)C)C1=O ZINC000337164534 382770089 /nfs/dbraw/zinc/77/00/89/382770089.db2.gz XTOGKYHLBBSVRP-HZPDHXFCSA-N 0 3 290.382 2.899 20 30 CFEDHN C[C@@H]1CSCCN1CCCC1(C#N)CCOCC1 ZINC000337169966 382770842 /nfs/dbraw/zinc/77/08/42/382770842.db2.gz DUWLGOKCDLLSKH-CYBMUJFWSA-N 0 3 268.426 2.524 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H](C(C)(C)C)CC2)C1=O ZINC000337182683 382772737 /nfs/dbraw/zinc/77/27/37/382772737.db2.gz MYFHGWMQCBYZIW-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H](Cc3ccccc3)C2)C1=O ZINC000337188040 382773154 /nfs/dbraw/zinc/77/31/54/382773154.db2.gz PZIZIOWDMQUAFW-MSOLQXFVSA-N 0 3 298.430 2.728 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H](Cc3ccccc3)C2)C1=O ZINC000337188042 382773176 /nfs/dbraw/zinc/77/31/76/382773176.db2.gz PZIZIOWDMQUAFW-QZTJIDSGSA-N 0 3 298.430 2.728 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(C)s2)C1=O ZINC000337187954 382773192 /nfs/dbraw/zinc/77/31/92/382773192.db2.gz PYCKZDGAHCYYDX-ZIAGYGMSSA-N 0 3 290.432 2.980 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2Cc2ccccc2C)C1=O ZINC000337195158 382774315 /nfs/dbraw/zinc/77/43/15/382774315.db2.gz VSNYIJHSBLAPIY-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2OC(F)F)s1 ZINC000337287721 382794813 /nfs/dbraw/zinc/79/48/13/382794813.db2.gz LFTVJLNSSOQTPQ-MNOVXSKESA-N 0 3 272.320 2.870 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCC2CCCC2)C1=O ZINC000337231769 382781628 /nfs/dbraw/zinc/78/16/28/382781628.db2.gz UWBZNJWWHHXHCV-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCOCCCN[C@H](CO)c1cccc(Cl)c1F ZINC000337239585 382783376 /nfs/dbraw/zinc/78/33/76/382783376.db2.gz ZSNYRGZOVXUJJT-CYBMUJFWSA-N 0 3 287.762 2.695 20 30 CFEDHN C=CCOc1ccccc1CNC[C@]1(O)CCC[C@H]1C ZINC000336906609 382740484 /nfs/dbraw/zinc/74/04/84/382740484.db2.gz YEFADFNBCWXRTO-RHSMWYFYSA-N 0 3 275.392 2.892 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000337354843 382808403 /nfs/dbraw/zinc/80/84/03/382808403.db2.gz DKCDSWPXWPJVIM-CABCVRRESA-N 0 3 279.428 2.633 20 30 CFEDHN C=C(C)CN(CCN1CCO[C@@H](C)C1)Cc1ccccc1 ZINC000337471679 382826337 /nfs/dbraw/zinc/82/63/37/382826337.db2.gz PTEATCAFBVEJDE-KRWDZBQOSA-N 0 3 288.435 2.785 20 30 CFEDHN CC[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000577035669 382845198 /nfs/dbraw/zinc/84/51/98/382845198.db2.gz QBYAIEAPJXFINI-ULQDDVLXSA-N 0 3 297.402 2.752 20 30 CFEDHN CC(C#N)C(=O)N[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000337584813 382845385 /nfs/dbraw/zinc/84/53/85/382845385.db2.gz QSVWLUBWBYFZFZ-RULNRJAQSA-N 0 3 262.740 2.851 20 30 CFEDHN C=CCCc1ccccc1NC(=O)NC[C@H](C)N(C)C ZINC000337587886 382845412 /nfs/dbraw/zinc/84/54/12/382845412.db2.gz GAMCXVVGLHCRSQ-ZDUSSCGKSA-N 0 3 275.396 2.877 20 30 CFEDHN C#CCCOc1ccc(CNC[C@@H]2CCCCO2)cc1 ZINC000236684300 382907031 /nfs/dbraw/zinc/90/70/31/382907031.db2.gz UWMXBBUPZHWDIE-KRWDZBQOSA-N 0 3 273.376 2.747 20 30 CFEDHN COc1cc(CN[C@H](CO)CCC(C)(C)C)ccc1C#N ZINC000441343493 382908197 /nfs/dbraw/zinc/90/81/97/382908197.db2.gz BLPDWLCMIZWKQR-HNNXBMFYSA-N 0 3 290.407 2.844 20 30 CFEDHN C#CCCCN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000494141577 382909185 /nfs/dbraw/zinc/90/91/85/382909185.db2.gz KIGXMCWTTJNQSQ-CQSZACIVSA-N 0 3 280.412 2.779 20 30 CFEDHN N#Cc1cnn2cc(CN[C@H]3C[C@H]3C3CCCCC3)cnc12 ZINC000577850736 382872949 /nfs/dbraw/zinc/87/29/49/382872949.db2.gz IRLANHGQYFEZEU-HOTGVXAUSA-N 0 3 295.390 2.659 20 30 CFEDHN COc1cc(CN(C)CCc2ccccn2)ccc1C#N ZINC000234922429 382875278 /nfs/dbraw/zinc/87/52/78/382875278.db2.gz PZHBJMUCHSKAMY-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN CC[C@@H](C)[C@H]1CN(CCCC#N)CCN1CCCC#N ZINC000337981580 382887689 /nfs/dbraw/zinc/88/76/89/382887689.db2.gz SRCAUDKIFOUFOH-HZPDHXFCSA-N 0 3 276.428 2.626 20 30 CFEDHN C[C@@H]1OCC[C@]1(C)NCC#Cc1cccc(Cl)c1 ZINC000494216275 382911536 /nfs/dbraw/zinc/91/15/36/382911536.db2.gz NIUBBCBSLUXADA-WFASDCNBSA-N 0 3 263.768 2.849 20 30 CFEDHN COc1cncc(/C=C/CCN2CCC(C#N)CC2)c1 ZINC000578645605 382941260 /nfs/dbraw/zinc/94/12/60/382941260.db2.gz RWEYOJPHJWCKCF-DUXPYHPUSA-N 0 3 271.364 2.729 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000442713426 382948497 /nfs/dbraw/zinc/94/84/97/382948497.db2.gz WPMHJZFBWKFNET-IAGOWNOFSA-N 0 3 297.402 2.591 20 30 CFEDHN C=C(C)CCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000456124671 382953115 /nfs/dbraw/zinc/95/31/15/382953115.db2.gz SUWQRQDWJLBTLV-CQSZACIVSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(N2CCOCC2)c1 ZINC000442761824 382953123 /nfs/dbraw/zinc/95/31/23/382953123.db2.gz CXCXIESBBQBDNQ-WBVHZDCISA-N 0 3 299.418 2.614 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCCN1CC ZINC000495045406 382955145 /nfs/dbraw/zinc/95/51/45/382955145.db2.gz LYVKLZOIEMHYMW-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN CCCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC000442795880 382957463 /nfs/dbraw/zinc/95/74/63/382957463.db2.gz VAKYHAGNJGLYHP-JSGCOSHPSA-N 0 3 259.353 2.652 20 30 CFEDHN N#Cc1ccc(CN[C@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000421877837 382958045 /nfs/dbraw/zinc/95/80/45/382958045.db2.gz LKILOGYPEQWLGK-HZSPNIEDSA-N 0 3 274.389 2.667 20 30 CFEDHN CCN1CCN(c2cccc(N[C@H]3CC[C@H](C#N)C3)c2)CC1 ZINC000442841734 382960317 /nfs/dbraw/zinc/96/03/17/382960317.db2.gz ORQCGMINMUWCQW-RDJZCZTQSA-N 0 3 298.434 2.933 20 30 CFEDHN C=C(CC)CN1CCC(N(C)C(=O)OCC)CC1 ZINC000494590938 382914753 /nfs/dbraw/zinc/91/47/53/382914753.db2.gz SNXDHFWMNIGVPK-UHFFFAOYSA-N 0 3 254.374 2.505 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000494698951 382920421 /nfs/dbraw/zinc/92/04/21/382920421.db2.gz LWQCNFQEAPKYRM-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCCC#N ZINC000236842303 382922707 /nfs/dbraw/zinc/92/27/07/382922707.db2.gz MNMLLPSQORGPEI-UHFFFAOYSA-N 0 3 277.324 2.777 20 30 CFEDHN CC(=O)Nc1ccccc1CN1CCC(CC#N)CC1 ZINC000543782355 382973275 /nfs/dbraw/zinc/97/32/75/382973275.db2.gz QQPDADLLWNWIPM-UHFFFAOYSA-N 0 3 271.364 2.771 20 30 CFEDHN Cc1nccn1-c1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000444450898 382973689 /nfs/dbraw/zinc/97/36/89/382973689.db2.gz QWWSEJQTFBNQEV-RYUDHWBXSA-N 0 3 282.347 2.518 20 30 CFEDHN C=CCC[C@H](O)CN(C)Cc1cc(F)cc(F)c1 ZINC000444709474 382977318 /nfs/dbraw/zinc/97/73/18/382977318.db2.gz SQPXCUZMSLKBQY-AWEZNQCLSA-N 0 3 255.308 2.724 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444694476 382977688 /nfs/dbraw/zinc/97/76/88/382977688.db2.gz QLNMQYRWYRVUOK-UONOGXRCSA-N 0 3 280.412 2.837 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1cc(F)cc(F)c1 ZINC000444709477 382977855 /nfs/dbraw/zinc/97/78/55/382977855.db2.gz SQPXCUZMSLKBQY-CQSZACIVSA-N 0 3 255.308 2.724 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725796 382979725 /nfs/dbraw/zinc/97/97/25/382979725.db2.gz NXOGOYSDPZISSU-VXGBXAGGSA-N 0 3 292.345 2.952 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@](C)(CNCC2(C#N)CC2)C1 ZINC000495338974 382980419 /nfs/dbraw/zinc/98/04/19/382980419.db2.gz YNVSZEBJSOQEDA-OAHLLOKOSA-N 0 3 293.411 2.527 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N(C)C(C)C)CCCC1(C)C ZINC000444781639 382980936 /nfs/dbraw/zinc/98/09/36/382980936.db2.gz HLWOYVPGLQJZPL-CQSZACIVSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NCCC)CCCC1(C)C ZINC000444786461 382982156 /nfs/dbraw/zinc/98/21/56/382982156.db2.gz USQHYRFNPSBNSA-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC2(CCCC2)C1 ZINC000445866596 382986308 /nfs/dbraw/zinc/98/63/08/382986308.db2.gz NEFDFTOZUIVBJZ-HNNXBMFYSA-N 0 3 291.439 2.651 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCCC(C)(C)C1 ZINC000446062548 382987778 /nfs/dbraw/zinc/98/77/78/382987778.db2.gz QCYDRGKLQIWPKU-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C(C)C)C1 ZINC000446735644 382991712 /nfs/dbraw/zinc/99/17/12/382991712.db2.gz PLOCRETWVQDTDF-LSDHHAIUSA-N 0 3 266.429 2.777 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000446678845 382991781 /nfs/dbraw/zinc/99/17/81/382991781.db2.gz VWIFLKHINULNJA-CHWSQXEVSA-N 0 3 271.364 2.624 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C#N)c(F)c2)CCCC1 ZINC000338332395 382993367 /nfs/dbraw/zinc/99/33/67/382993367.db2.gz ISPCPGGOAVCTST-UHFFFAOYSA-N 0 3 290.338 2.663 20 30 CFEDHN C[C@H]1CC[C@@]2(CCN(Cc3ccc(C#N)cn3)C2)C1 ZINC000579242754 382996406 /nfs/dbraw/zinc/99/64/06/382996406.db2.gz NXYUNHLGNJKBAE-XJKSGUPXSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1 ZINC000579242750 382996772 /nfs/dbraw/zinc/99/67/72/382996772.db2.gz NXYUNHLGNJKBAE-CJNGLKHVSA-N 0 3 255.365 2.965 20 30 CFEDHN C=C(C)CCNCc1cc(OC)c(OC)cc1F ZINC000579362302 383008193 /nfs/dbraw/zinc/00/81/93/383008193.db2.gz KIFSWCJIJNTFKN-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1n1ccnc1 ZINC000245571417 383009360 /nfs/dbraw/zinc/00/93/60/383009360.db2.gz GRUXVKWDYAGGDN-CRAIPNDOSA-N 0 3 297.377 2.957 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000447815043 383011585 /nfs/dbraw/zinc/01/15/85/383011585.db2.gz BFDZSUQXNFFNID-INIZCTEOSA-N 0 3 298.434 2.974 20 30 CFEDHN CN(C)C(=O)OC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000495687307 383013915 /nfs/dbraw/zinc/01/39/15/383013915.db2.gz KCWXBPHIODJVLG-AWEZNQCLSA-N 0 3 295.427 2.869 20 30 CFEDHN C=CC[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245621612 383015630 /nfs/dbraw/zinc/01/56/30/383015630.db2.gz FIRQIZHBWHMNCZ-BPUTZDHNSA-N 0 3 287.407 2.696 20 30 CFEDHN COCCOc1ccccc1CN1CCC(CC#N)CC1 ZINC000542854021 382969672 /nfs/dbraw/zinc/96/96/72/382969672.db2.gz NBEAABBNJZMHQV-UHFFFAOYSA-N 0 3 288.391 2.837 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000495815018 383029921 /nfs/dbraw/zinc/02/99/21/383029921.db2.gz VNBGWABESMXLSO-LBPRGKRZSA-N 0 3 254.374 2.552 20 30 CFEDHN C=C(C)CCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000495815147 383030246 /nfs/dbraw/zinc/03/02/46/383030246.db2.gz XBEVRZZYRFFRFG-UHFFFAOYSA-N 0 3 286.375 2.968 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](CC)CC(F)F)CC1 ZINC000457537378 383041301 /nfs/dbraw/zinc/04/13/01/383041301.db2.gz FDESHWAOFDYZGR-GFCCVEGCSA-N 0 3 288.382 2.825 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000246045323 383060342 /nfs/dbraw/zinc/06/03/42/383060342.db2.gz SPRXYNKSLZQLHS-CABCVRRESA-N 0 3 289.375 2.879 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000448448243 383060611 /nfs/dbraw/zinc/06/06/11/383060611.db2.gz ZQVCLMJERLUSII-SMDDNHRTSA-N 0 3 288.322 2.549 20 30 CFEDHN C=CCCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000448388079 383060712 /nfs/dbraw/zinc/06/07/12/383060712.db2.gz LHPMUTYNRNFDJP-UHFFFAOYSA-N 0 3 293.455 2.860 20 30 CFEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C(C)C#N ZINC000448452049 383060927 /nfs/dbraw/zinc/06/09/27/383060927.db2.gz JIOMLVVHRSOTPN-SQWLQELKSA-N 0 3 286.375 2.961 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000579909425 383064601 /nfs/dbraw/zinc/06/46/01/383064601.db2.gz GFIYHDWIIXZQEA-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1C(=O)OC(C)(C)C ZINC000579468423 383019756 /nfs/dbraw/zinc/01/97/56/383019756.db2.gz BYCHGYOEXINXON-KBUPBQIOSA-N 0 3 292.423 2.978 20 30 CFEDHN CCN(C)C(=O)OC[C@@H]1CCCCN1CCCCC#N ZINC000495768466 383024312 /nfs/dbraw/zinc/02/43/12/383024312.db2.gz FBFLRYRRYBNJHH-AWEZNQCLSA-N 0 3 281.400 2.623 20 30 CFEDHN C=C(C)CN1CCC(Nc2ccnc3cccnc32)CC1 ZINC000338666364 383027403 /nfs/dbraw/zinc/02/74/03/383027403.db2.gz SAQGKGVACUOPTH-UHFFFAOYSA-N 0 3 282.391 2.504 20 30 CFEDHN CC[C@@H](C#N)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000338668388 383027744 /nfs/dbraw/zinc/02/77/44/383027744.db2.gz UABBXQDHBXTURM-HNNXBMFYSA-N 0 3 285.391 2.703 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619755858 383147298 /nfs/dbraw/zinc/14/72/98/383147298.db2.gz WOOPZEYPNGWGKR-AWEZNQCLSA-N 0 3 264.756 2.726 20 30 CFEDHN C=CCOCCCN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496621785 383122691 /nfs/dbraw/zinc/12/26/91/383122691.db2.gz HIDUKFISXYYWJG-KBPBESRZSA-N 0 3 298.427 2.567 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000596436033 383126312 /nfs/dbraw/zinc/12/63/12/383126312.db2.gz HZCJFNPUFLXLLB-OAHLLOKOSA-N 0 3 286.379 2.506 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000246969833 383126724 /nfs/dbraw/zinc/12/67/24/383126724.db2.gz GATUQSGWSMQWAS-DOMZBBRYSA-N 0 3 272.396 2.711 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](C)[C@H]1C ZINC000246970258 383126775 /nfs/dbraw/zinc/12/67/75/383126775.db2.gz RVBGMYACBJGZNF-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(CC)C1 ZINC000596458950 383127113 /nfs/dbraw/zinc/12/71/13/383127113.db2.gz YXFRZSKBOYVNMR-HNNXBMFYSA-N 0 3 286.379 2.506 20 30 CFEDHN CN(C)[C@@H](CC(=O)N1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000597905761 383129265 /nfs/dbraw/zinc/12/92/65/383129265.db2.gz RHGGTMACGWCTKX-RDJZCZTQSA-N 0 3 299.418 2.832 20 30 CFEDHN Cc1ccc(CC2CN(C[C@@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598705454 383129716 /nfs/dbraw/zinc/12/97/16/383129716.db2.gz JWIRLTAZKFCEHR-KRWDZBQOSA-N 0 3 286.419 2.770 20 30 CFEDHN Cc1ccccc1CC1CN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601961171 383130320 /nfs/dbraw/zinc/13/03/20/383130320.db2.gz ZOFCDTHRAAOMBS-KRWDZBQOSA-N 0 3 284.403 2.524 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000507500541 383146370 /nfs/dbraw/zinc/14/63/70/383146370.db2.gz JFKVAEKEUJZQRC-YXJHDRRASA-N 0 3 299.418 2.878 20 30 CFEDHN CCC(CC)N(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000554745326 383146477 /nfs/dbraw/zinc/14/64/77/383146477.db2.gz JMYGFOMVNFNDRK-UHFFFAOYSA-N 0 3 279.428 2.840 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000619673627 383146570 /nfs/dbraw/zinc/14/65/70/383146570.db2.gz LRXKTQKTZMLNKP-NOLJZWGESA-N 0 3 251.333 2.827 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccccc3)C(C)(C)C2)C1=O ZINC000499554234 383135331 /nfs/dbraw/zinc/13/53/31/383135331.db2.gz STTMDLCZNFBUCB-SJORKVTESA-N 0 3 298.430 2.899 20 30 CFEDHN COc1cc(CN(C)CCOC(C)(C)C)ccc1C#N ZINC000619674539 383146662 /nfs/dbraw/zinc/14/66/62/383146662.db2.gz QBRRCQAFSPBEES-UHFFFAOYSA-N 0 3 276.380 2.814 20 30 CFEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(N2CCCC2)n1 ZINC000619673786 383146673 /nfs/dbraw/zinc/14/66/73/383146673.db2.gz USIHVRRMSUUEQS-GOEBONIOSA-N 0 3 284.407 2.772 20 30 CFEDHN CC(C)Cc1ccc([C@H](CNCCC#N)N(C)C)cc1 ZINC000582177341 383085982 /nfs/dbraw/zinc/08/59/82/383085982.db2.gz PEPLRFIQDHHJQO-KRWDZBQOSA-N 0 3 273.424 2.991 20 30 CFEDHN CC(C)COC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338920739 383086378 /nfs/dbraw/zinc/08/63/78/383086378.db2.gz MHVZMALUHSDVMC-KGLIPLIRSA-N 0 3 250.386 2.816 20 30 CFEDHN CN(C)[C@H](CC(=O)N1CCC(CC#N)CC1)c1ccccc1 ZINC000583920448 383093673 /nfs/dbraw/zinc/09/36/73/383093673.db2.gz OCSLLAVMPWVILP-QGZVFWFLSA-N 0 3 299.418 2.832 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000496386500 383095379 /nfs/dbraw/zinc/09/53/79/383095379.db2.gz LWNLRPOZTJUTLS-MELADBBJSA-N 0 3 293.411 2.620 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(CF)CCC1)C(C)C ZINC000584352668 383097474 /nfs/dbraw/zinc/09/74/74/383097474.db2.gz WETKGYFEOVZFEP-OAHLLOKOSA-N 0 3 296.430 2.941 20 30 CFEDHN COc1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)ccc1O ZINC000338963170 383102458 /nfs/dbraw/zinc/10/24/58/383102458.db2.gz MKHWARSYSKMNNR-DGCLKSJQSA-N 0 3 260.337 2.525 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000448919615 383107426 /nfs/dbraw/zinc/10/74/26/383107426.db2.gz BVNXQEZMBOJZSN-PBHICJAKSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000448923971 383107650 /nfs/dbraw/zinc/10/76/50/383107650.db2.gz WSUAHNPSMSGOPW-SOUVJXGZSA-N 0 3 278.440 2.825 20 30 CFEDHN C[C@H](CCC#N)N1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496543692 383113485 /nfs/dbraw/zinc/11/34/85/383113485.db2.gz UUWDHMHJBAHABK-RDBSUJKOSA-N 0 3 295.427 2.914 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496542571 383113885 /nfs/dbraw/zinc/11/38/85/383113885.db2.gz LOPVMSHAZJCBOH-HZSPNIEDSA-N 0 3 295.427 2.914 20 30 CFEDHN CC[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000423488340 383118266 /nfs/dbraw/zinc/11/82/66/383118266.db2.gz VHSSTGIATGTEGK-ZIAGYGMSSA-N 0 3 279.334 2.596 20 30 CFEDHN C=CCOCCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000339170555 383174843 /nfs/dbraw/zinc/17/48/43/383174843.db2.gz YCTILAZUTBXUNA-UHFFFAOYSA-N 0 3 296.361 2.680 20 30 CFEDHN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(C2CC2)cc1 ZINC000565763893 383180764 /nfs/dbraw/zinc/18/07/64/383180764.db2.gz NBDWJZCOKYSTAV-CYBMUJFWSA-N 0 3 297.402 2.777 20 30 CFEDHN Cn1cc([C@@H]2CN(Cc3cccc(C#N)c3)CC2(C)C)cn1 ZINC000517487476 383182681 /nfs/dbraw/zinc/18/26/81/383182681.db2.gz QCWPDDDNMAPHOC-KRWDZBQOSA-N 0 3 294.402 2.917 20 30 CFEDHN C=CCCCC[C@H](C)NCc1cc(C(N)=O)co1 ZINC000449257767 383187550 /nfs/dbraw/zinc/18/75/50/383187550.db2.gz JZYNSGOSAILRTN-NSHDSACASA-N 0 3 250.342 2.603 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C2CC2)s1 ZINC000566542908 383188027 /nfs/dbraw/zinc/18/80/27/383188027.db2.gz ITZSLYQRMRNLES-OLZOCXBDSA-N 0 3 264.394 2.844 20 30 CFEDHN CC#CCCCC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000517747869 383192434 /nfs/dbraw/zinc/19/24/34/383192434.db2.gz JNPVQXYPZMNKLI-IBGZPJMESA-N 0 3 298.430 2.961 20 30 CFEDHN C=CCCN(C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449268818 383192623 /nfs/dbraw/zinc/19/26/23/383192623.db2.gz JRCVUWUJLBVVGS-CYBMUJFWSA-N 0 3 281.421 2.702 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339424787 383195650 /nfs/dbraw/zinc/19/56/50/383195650.db2.gz XIKMFIWDALCKBX-ZDUSSCGKSA-N 0 3 289.354 2.865 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000424606030 383208318 /nfs/dbraw/zinc/20/83/18/383208318.db2.gz IVUSXRZJWRSTOS-KBPBESRZSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000556226576 383151084 /nfs/dbraw/zinc/15/10/84/383151084.db2.gz KWFNMZIJQWMGBJ-LBPRGKRZSA-N 0 3 265.319 2.978 20 30 CFEDHN CC#CCN[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000561749180 383155189 /nfs/dbraw/zinc/15/51/89/383155189.db2.gz SZKNICAGKPBQIT-HOTGVXAUSA-N 0 3 257.377 2.983 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000247246264 383155852 /nfs/dbraw/zinc/15/58/52/383155852.db2.gz XIIMWKJPLKQNFK-CABCVRRESA-N 0 3 279.428 2.507 20 30 CFEDHN N#CCC[C@H](C#N)CNC1CCN(c2ccccc2)CC1 ZINC000515189201 383158590 /nfs/dbraw/zinc/15/85/90/383158590.db2.gz DQBXATLDGKDBLJ-OAHLLOKOSA-N 0 3 282.391 2.689 20 30 CFEDHN COc1ccc([C@H](CCC#N)NCCc2cncn2C)cc1 ZINC000562498709 383158822 /nfs/dbraw/zinc/15/88/22/383158822.db2.gz GUKDPBWRWQRJEY-KRWDZBQOSA-N 0 3 298.390 2.606 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC000516312762 383163863 /nfs/dbraw/zinc/16/38/63/383163863.db2.gz KAFISSCCNYWECV-RDJZCZTQSA-N 0 3 286.419 2.632 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000339155731 383169498 /nfs/dbraw/zinc/16/94/98/383169498.db2.gz QPIYODJKYQBTMU-PQEBFOHHSA-N 0 3 298.386 2.567 20 30 CFEDHN CC(=O)N1CC[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000567208475 383252191 /nfs/dbraw/zinc/25/21/91/383252191.db2.gz CACFXNZNCRYQKO-FUHWJXTLSA-N 0 3 297.402 2.536 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H](c2cccnc2)C1 ZINC000567382771 383269193 /nfs/dbraw/zinc/26/91/93/383269193.db2.gz XJIRNDLGMXAVGM-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN C=CCOCCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000339656451 383276323 /nfs/dbraw/zinc/27/63/23/383276323.db2.gz AYFRZBXEPUXXKN-OAHLLOKOSA-N 0 3 281.783 2.996 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1CC12CC2 ZINC000567453215 383276494 /nfs/dbraw/zinc/27/64/94/383276494.db2.gz WMWCNXMGZYEVNQ-GJZGRUSLSA-N 0 3 268.360 2.675 20 30 CFEDHN CC(C)CSCCNCc1cnc2ccc(C#N)cn12 ZINC000339512873 383226720 /nfs/dbraw/zinc/22/67/20/383226720.db2.gz LKHPAYMNLMFPNO-UHFFFAOYSA-N 0 3 288.420 2.685 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2ccccc2)C[C@H]1CC ZINC000248400662 383235484 /nfs/dbraw/zinc/23/54/84/383235484.db2.gz XWLICMCYNAALDA-AEFFLSMTSA-N 0 3 288.435 2.914 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cn1)[C@H]1Oc2ccccc2[C@H]1C ZINC000519832001 383240288 /nfs/dbraw/zinc/24/02/88/383240288.db2.gz KWFGTFCHKFTQCN-VBHSOAQHSA-N 0 3 293.370 2.996 20 30 CFEDHN C=CCC[C@H](O)CN(C)C[C@H](C)c1nccs1 ZINC000248438951 383243097 /nfs/dbraw/zinc/24/30/97/383243097.db2.gz CEIKSLRFVAPNRN-RYUDHWBXSA-N 0 3 254.399 2.506 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000248800408 383290772 /nfs/dbraw/zinc/29/07/72/383290772.db2.gz JQDJADATAIERKP-FUHWJXTLSA-N 0 3 298.430 2.817 20 30 CFEDHN CC(C)[C@@H](CO)[C@H](NCc1ccc(C#N)o1)C(C)C ZINC000449512222 383347018 /nfs/dbraw/zinc/34/70/18/383347018.db2.gz OWUPGRMZKPQDTR-HUUCEWRRSA-N 0 3 264.369 2.530 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cc(C(F)(F)F)n[nH]2)C1 ZINC000449447395 383298040 /nfs/dbraw/zinc/29/80/40/383298040.db2.gz ZDFABBCBZOLJSF-IUCAKERBSA-N 0 3 272.274 2.600 20 30 CFEDHN C=C(C)CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449480193 383322238 /nfs/dbraw/zinc/32/22/38/383322238.db2.gz XSQWNGWOVXBIPU-UHFFFAOYSA-N 0 3 280.324 2.668 20 30 CFEDHN CO[C@](C)(CNCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000449487261 383326293 /nfs/dbraw/zinc/32/62/93/383326293.db2.gz XLGCJXIAMOLIPE-QGZVFWFLSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000525948601 383411320 /nfs/dbraw/zinc/41/13/20/383411320.db2.gz SGVNQOYQJLVSGB-INIZCTEOSA-N 0 3 266.429 2.922 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)o1 ZINC000449516511 383350490 /nfs/dbraw/zinc/35/04/90/383350490.db2.gz GNXCMKGLHVZBOD-CVEARBPZSA-N 0 3 286.375 2.932 20 30 CFEDHN C[C@H](CNC[C@@H](C#N)CCC#N)Cc1cccs1 ZINC000568078156 383356748 /nfs/dbraw/zinc/35/67/48/383356748.db2.gz HTWKYAOSVZWJJA-QWHCGFSZSA-N 0 3 261.394 2.960 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000249745353 383359976 /nfs/dbraw/zinc/35/99/76/383359976.db2.gz MHFANRQPRCPQLJ-IIAWOOMASA-N 0 3 279.428 2.551 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449712581 383362207 /nfs/dbraw/zinc/36/22/07/383362207.db2.gz SMSQZQFTQWJNIQ-NEPJUHHUSA-N 0 3 271.368 2.557 20 30 CFEDHN C=C(CC)CNCc1ccc2c(c1)sc(=O)n2C ZINC000449733325 383363007 /nfs/dbraw/zinc/36/30/07/383363007.db2.gz HLSWEILCLRKQJO-UHFFFAOYSA-N 0 3 262.378 2.656 20 30 CFEDHN C=C(CC)CNCc1cn(C)nc1-c1ccncc1 ZINC000449737650 383363380 /nfs/dbraw/zinc/36/33/80/383363380.db2.gz ZKTDIVSXOBFWFH-UHFFFAOYSA-N 0 3 256.353 2.538 20 30 CFEDHN C=C(CC)CNCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449732712 383363413 /nfs/dbraw/zinc/36/34/13/383363413.db2.gz CSIVRZHXDCTSKE-UHFFFAOYSA-N 0 3 271.364 2.937 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](C)CC1 ZINC000249843831 383365205 /nfs/dbraw/zinc/36/52/05/383365205.db2.gz ZLSJQXJUCMHEQT-HUUCEWRRSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000449847212 383367222 /nfs/dbraw/zinc/36/72/22/383367222.db2.gz FAVYTGLKHBOYLP-INIZCTEOSA-N 0 3 276.424 2.962 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@H](N(C)C)C2)CCCC1 ZINC000449835977 383367506 /nfs/dbraw/zinc/36/75/06/383367506.db2.gz RVSDIVVQQAVWON-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H](C)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000449886110 383369912 /nfs/dbraw/zinc/36/99/12/383369912.db2.gz GSWTYYYVSRMVHD-ZFWWWQNUSA-N 0 3 264.413 2.864 20 30 CFEDHN CC(C)[C@@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470983217 383376611 /nfs/dbraw/zinc/37/66/11/383376611.db2.gz LOLGAGTXFJSXNN-BBRMVZONSA-N 0 3 283.375 2.649 20 30 CFEDHN CN(C)c1ccccc1CNCc1ccc(C#N)cc1 ZINC000340200401 383378744 /nfs/dbraw/zinc/37/87/44/383378744.db2.gz SCABSCMCDHXJFZ-UHFFFAOYSA-N 0 3 265.360 2.914 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCCC1 ZINC000450075558 383380071 /nfs/dbraw/zinc/38/00/71/383380071.db2.gz OLDNSMVLTCPHKJ-KGLIPLIRSA-N 0 3 276.424 2.864 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1cscn1 ZINC000280706409 194937606 /nfs/dbraw/zinc/93/76/06/194937606.db2.gz CXANNTOOTJGRND-WZRBSPASSA-N 0 3 252.383 2.775 20 30 CFEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000475508879 383387187 /nfs/dbraw/zinc/38/71/87/383387187.db2.gz AUPHJEDYBLAQKZ-CPUCHLNUSA-N 0 3 297.402 2.589 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCC(C)(C)C1 ZINC000483111903 383441417 /nfs/dbraw/zinc/44/14/17/383441417.db2.gz FWRBVKWPOVXJON-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000253100144 383445287 /nfs/dbraw/zinc/44/52/87/383445287.db2.gz WBWHXDMGEHVVOY-OIISXLGYSA-N 0 3 288.366 2.823 20 30 CFEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000340504889 383447748 /nfs/dbraw/zinc/44/77/48/383447748.db2.gz QZBBPDPGZSBXHT-QMTHXVAHSA-N 0 3 264.344 2.897 20 30 CFEDHN C[C@@H](NCc1cccc(F)c1C#N)[C@@H]1CCCOC1 ZINC000428319257 383450758 /nfs/dbraw/zinc/45/07/58/383450758.db2.gz OTMCUDSSAXFFKU-DGCLKSJQSA-N 0 3 262.328 2.602 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000289931410 197533417 /nfs/dbraw/zinc/53/34/17/197533417.db2.gz VNDXKMNJVQROLC-ZWNOBZJWSA-N 0 3 287.281 2.709 20 30 CFEDHN CC(C)[C@H]1CN(Cc2cn3ccccc3c2C#N)CCN1C ZINC000487969332 383484097 /nfs/dbraw/zinc/48/40/97/383484097.db2.gz HQHWBELBCJKJDZ-GOSISDBHSA-N 0 3 296.418 2.583 20 30 CFEDHN C=CCC1(CNC(=O)NC[C@@H]2CCCN(C)C2)CCCC1 ZINC000569310835 383486681 /nfs/dbraw/zinc/48/66/81/383486681.db2.gz FNMLJTAXAHKUQD-HNNXBMFYSA-N 0 3 293.455 2.764 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1C ZINC000488037402 383489303 /nfs/dbraw/zinc/48/93/03/383489303.db2.gz DSNJXYWNIYLJHL-INIZCTEOSA-N 0 3 291.826 2.984 20 30 CFEDHN C=C(C)CCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428779532 383499825 /nfs/dbraw/zinc/49/98/25/383499825.db2.gz OKRPRJRMDIJHCO-UHFFFAOYSA-N 0 3 276.355 2.855 20 30 CFEDHN C=CCCCCCN1CCN(C(=O)N(C)C)CC1(C)C ZINC000488258732 383509971 /nfs/dbraw/zinc/50/99/71/383509971.db2.gz DEYCTUAXTJCSJL-UHFFFAOYSA-N 0 3 281.444 2.811 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccc(C#N)s1 ZINC000569595937 383518150 /nfs/dbraw/zinc/51/81/50/383518150.db2.gz RQDLZBPZPAHRGA-LRDDRELGSA-N 0 3 286.400 2.874 20 30 CFEDHN COc1cc(CN2CC[C@H](c3cccnc3)C2)ccc1C#N ZINC000569724748 383532183 /nfs/dbraw/zinc/53/21/83/383532183.db2.gz HRACRWKWHRSMHX-KRWDZBQOSA-N 0 3 293.370 2.951 20 30 CFEDHN C=CCN1CC[C@@H](N2CCc3ccccc3C2(C)C)C1=O ZINC000569827473 383541614 /nfs/dbraw/zinc/54/16/14/383541614.db2.gz XCQLNDWZNWUGJO-MRXNPFEDSA-N 0 3 284.403 2.567 20 30 CFEDHN C[C@H]1C[C@H]1N1CCN(c2ccc(F)cc2C#N)C[C@@H](C)C1 ZINC000488770058 383576133 /nfs/dbraw/zinc/57/61/33/383576133.db2.gz ZSUONDGZZQSXQH-IIYDPXPESA-N 0 3 287.382 2.864 20 30 CFEDHN C[C@H](CC(=O)Nc1ccc(F)cc1)NCC1(CC#N)CC1 ZINC000430743633 383597728 /nfs/dbraw/zinc/59/77/28/383597728.db2.gz RZJRYPVLEFOYFC-GFCCVEGCSA-N 0 3 289.354 2.826 20 30 CFEDHN CN(C)CCOc1cccc(NC(=O)CC(C)(C)C#N)c1 ZINC000429621570 383554848 /nfs/dbraw/zinc/55/48/48/383554848.db2.gz VDHRORCGRBPLIM-UHFFFAOYSA-N 0 3 289.379 2.505 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000429711551 383562074 /nfs/dbraw/zinc/56/20/74/383562074.db2.gz FNSDECALNYCINU-UHFFFAOYSA-N 0 3 277.368 2.535 20 30 CFEDHN C=CCN(C)CCN(CC)CCOc1ccccc1 ZINC000429720039 383563881 /nfs/dbraw/zinc/56/38/81/383563881.db2.gz DCYMCFYHPWNLBL-UHFFFAOYSA-N 0 3 262.397 2.505 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNc1ncccc1C#N ZINC000341100799 383564785 /nfs/dbraw/zinc/56/47/85/383564785.db2.gz LGDDNFMVKHNMNV-STQMWFEESA-N 0 3 258.369 2.628 20 30 CFEDHN Cc1nnc(NCCN2[C@H](C)CCC[C@H]2C)c(C#N)c1C ZINC000341108885 383567937 /nfs/dbraw/zinc/56/79/37/383567937.db2.gz SYTYODARHLNROJ-VXGBXAGGSA-N 0 3 287.411 2.640 20 30 CFEDHN Cc1oc(NC(=O)CN(C)C2(C)CCCC2)c(C#N)c1C ZINC000489837459 383638708 /nfs/dbraw/zinc/63/87/08/383638708.db2.gz DNYHAQVXRWZHAU-UHFFFAOYSA-N 0 3 289.379 2.971 20 30 CFEDHN Cn1cc([C@H]2CN(Cc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000570661069 383623101 /nfs/dbraw/zinc/62/31/01/383623101.db2.gz BAAIZOKKVABBHP-QGZVFWFLSA-N 0 3 294.402 2.917 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451490295 383626537 /nfs/dbraw/zinc/62/65/37/383626537.db2.gz ADGDMLZYKLUHMT-LYRGGWFBSA-N 0 3 288.391 2.716 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000528759333 383626543 /nfs/dbraw/zinc/62/65/43/383626543.db2.gz UASPKSDSIGJPBB-JNIYBQFBSA-N 0 3 262.328 2.599 20 30 CFEDHN CC[C@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000431108887 383630297 /nfs/dbraw/zinc/63/02/97/383630297.db2.gz PWNQCIYAPQUHKP-RCBQFDQVSA-N 0 3 285.391 2.643 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(C)s2)CC1 ZINC000264522901 383750701 /nfs/dbraw/zinc/75/07/01/383750701.db2.gz XPODFXREGXIGNC-UHFFFAOYSA-N 0 3 292.448 2.756 20 30 CFEDHN COCCN(CCC(C)(C)C#N)[C@@H]1CCCSC1 ZINC000433181360 383756222 /nfs/dbraw/zinc/75/62/22/383756222.db2.gz LFZCIONNTIALPI-CYBMUJFWSA-N 0 3 270.442 2.770 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1nccs1 ZINC000433226705 383756466 /nfs/dbraw/zinc/75/64/66/383756466.db2.gz ODKQLLXHOSOENZ-CYBMUJFWSA-N 0 3 285.372 2.532 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](COC)[C@H]2CCCO2)cc1 ZINC000433183734 383756709 /nfs/dbraw/zinc/75/67/09/383756709.db2.gz VLVRJRKTQOHZRA-DLBZAZTESA-N 0 3 291.391 2.535 20 30 CFEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)CO1 ZINC000572120606 383756974 /nfs/dbraw/zinc/75/69/74/383756974.db2.gz YPJPNCAWRUBJHS-JOYOIKCWSA-N 0 3 284.281 2.844 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1nccs1 ZINC000433226706 383757423 /nfs/dbraw/zinc/75/74/23/383757423.db2.gz ODKQLLXHOSOENZ-ZDUSSCGKSA-N 0 3 285.372 2.532 20 30 CFEDHN Cc1noc(C)c1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433309594 383760546 /nfs/dbraw/zinc/76/05/46/383760546.db2.gz BLDCXJOIMFNFDC-HNNXBMFYSA-N 0 3 297.358 2.680 20 30 CFEDHN N#Cc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264596999 383760752 /nfs/dbraw/zinc/76/07/52/383760752.db2.gz MQZLWUNHYZLOOP-INIZCTEOSA-N 0 3 298.390 2.650 20 30 CFEDHN CN(C)[C@H](CC(=O)NC1(C#N)CCCC1)c1ccccc1 ZINC000433341540 383761476 /nfs/dbraw/zinc/76/14/76/383761476.db2.gz IGMJWIOWJGEZMC-OAHLLOKOSA-N 0 3 285.391 2.632 20 30 CFEDHN Cc1cccnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433360968 383761994 /nfs/dbraw/zinc/76/19/94/383761994.db2.gz LSMBEZBZVUWHJP-INIZCTEOSA-N 0 3 293.370 2.779 20 30 CFEDHN C=CCOc1ccccc1CN(C)CCCCCO ZINC000435039206 383772754 /nfs/dbraw/zinc/77/27/54/383772754.db2.gz CHISZZWWSILOJH-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000435269392 383773470 /nfs/dbraw/zinc/77/34/70/383773470.db2.gz IBHDLZNAAGRKQC-DZGCQCFKSA-N 0 3 289.375 2.683 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000451608481 383666285 /nfs/dbraw/zinc/66/62/85/383666285.db2.gz SIVAPMKAONHQQN-OLZOCXBDSA-N 0 3 294.301 2.593 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(Cl)s1 ZINC000435731822 383778634 /nfs/dbraw/zinc/77/86/34/383778634.db2.gz NDPXHNHJXCDVOU-SKDRFNHKSA-N 0 3 272.801 2.867 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000640014188 383671794 /nfs/dbraw/zinc/67/17/94/383671794.db2.gz XETFEGMRLJRPGH-CQSZACIVSA-N 0 3 263.381 2.844 20 30 CFEDHN N#Cc1cccc(OCCN2CCSC[C@@H]2C2CC2)c1 ZINC000451645548 383674408 /nfs/dbraw/zinc/67/44/08/383674408.db2.gz FCBXOJLCTBOKKU-MRXNPFEDSA-N 0 3 288.416 2.764 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(CC)cc2)C1=O ZINC000280972834 195053132 /nfs/dbraw/zinc/05/31/32/195053132.db2.gz HWOPMWRMFOQRQN-XJKSGUPXSA-N 0 3 272.392 2.687 20 30 CFEDHN C=CCCCCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936646 383801185 /nfs/dbraw/zinc/80/11/85/383801185.db2.gz MNYRCVQKOQCKHH-ZDUSSCGKSA-N 0 3 258.356 2.758 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCN3CCCC[C@H]23)c(Cl)c1 ZINC000265132321 383840967 /nfs/dbraw/zinc/84/09/67/383840967.db2.gz NKUKGUCSDSXPEK-CHWSQXEVSA-N 0 3 276.771 2.645 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1ccc(C#N)cc1 ZINC000453376602 383849632 /nfs/dbraw/zinc/84/96/32/383849632.db2.gz XSLGOAXYFSLMMO-XHSDSOJGSA-N 0 3 256.349 2.942 20 30 CFEDHN C#CC(C)(C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000265235355 383870176 /nfs/dbraw/zinc/87/01/76/383870176.db2.gz QCQYPEOHSPPOAR-UHFFFAOYSA-N 0 3 284.403 2.814 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000573401154 383925140 /nfs/dbraw/zinc/92/51/40/383925140.db2.gz XYGDFPUSULBXNP-QGZVFWFLSA-N 0 3 263.344 2.943 20 30 CFEDHN N#Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000265473912 383926855 /nfs/dbraw/zinc/92/68/55/383926855.db2.gz ISBHWLCLVNPYNO-UHFFFAOYSA-N 0 3 266.348 2.661 20 30 CFEDHN C=CCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000265774973 383995874 /nfs/dbraw/zinc/99/58/74/383995874.db2.gz JIBICUDMRSLOCK-UHFFFAOYSA-N 0 3 250.298 2.611 20 30 CFEDHN N#Cc1cccc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000265597139 383953757 /nfs/dbraw/zinc/95/37/57/383953757.db2.gz YZSXYLPAPCBXSL-MRXNPFEDSA-N 0 3 278.359 2.640 20 30 CFEDHN C=CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000439521284 384036023 /nfs/dbraw/zinc/03/60/23/384036023.db2.gz MIKVPHUKYZTJED-UHFFFAOYSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000574078057 384040930 /nfs/dbraw/zinc/04/09/30/384040930.db2.gz MYNSMPUJLXVNQX-HNNXBMFYSA-N 0 3 289.423 2.591 20 30 CFEDHN C=CCOc1cccc(CNC[C@H](O)c2ccc(C)o2)c1 ZINC000266014194 384054802 /nfs/dbraw/zinc/05/48/02/384054802.db2.gz QGHWRBYLLFYAMR-INIZCTEOSA-N 0 3 287.359 2.976 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000440004980 384054990 /nfs/dbraw/zinc/05/49/90/384054990.db2.gz RHNLZVUBGOZDPC-WCBMZHEXSA-N 0 3 262.275 2.773 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000266028537 384058740 /nfs/dbraw/zinc/05/87/40/384058740.db2.gz YVJHRCFJRNCTMO-QETWALASSA-N 0 3 297.402 2.513 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)C1CCN(C)CC1 ZINC000266163619 384100919 /nfs/dbraw/zinc/10/09/19/384100919.db2.gz QKHJMYJRWXZCSC-UHFFFAOYSA-N 0 3 272.392 2.543 20 30 CFEDHN N#Cc1cc(F)ccc1NC1CCN(C2CC2)CC1 ZINC000266140092 384092178 /nfs/dbraw/zinc/09/21/78/384092178.db2.gz GWLZSJBGWJPAQO-UHFFFAOYSA-N 0 3 259.328 2.736 20 30 CFEDHN C=CCN1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266417089 384171600 /nfs/dbraw/zinc/17/16/00/384171600.db2.gz RMMBSLCITASBQL-UHFFFAOYSA-N 0 3 291.351 2.666 20 30 CFEDHN COc1ccccc1CN(C)CCCSCC#N ZINC000266742558 384231435 /nfs/dbraw/zinc/23/14/35/384231435.db2.gz OMHKWKSUTWJMND-UHFFFAOYSA-N 0 3 264.394 2.774 20 30 CFEDHN CN(C)[C@]1(CNc2ccc(C#N)cc2F)CCSC1 ZINC000267141754 384306799 /nfs/dbraw/zinc/30/67/99/384306799.db2.gz YAWGESFHZKFRFU-AWEZNQCLSA-N 0 3 279.384 2.547 20 30 CFEDHN C=CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000267144026 384307413 /nfs/dbraw/zinc/30/74/13/384307413.db2.gz YNYURMVGPCRRCL-MRXNPFEDSA-N 0 3 272.392 2.733 20 30 CFEDHN C=CCCc1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000267052282 384287054 /nfs/dbraw/zinc/28/70/54/384287054.db2.gz JWQVNTUWOPMJQB-UHFFFAOYSA-N 0 3 257.337 2.917 20 30 CFEDHN CC(C)N1CCC(N(C)c2snc(Cl)c2C#N)CC1 ZINC000267249707 384335023 /nfs/dbraw/zinc/33/50/23/384335023.db2.gz UGEBVNFQQDTOOD-UHFFFAOYSA-N 0 3 298.843 2.977 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1F ZINC000277662510 384368500 /nfs/dbraw/zinc/36/85/00/384368500.db2.gz DWYKFOBFIXOWSP-MRXNPFEDSA-N 0 3 276.355 2.824 20 30 CFEDHN CC[C@H](C)CN(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000267374058 384372081 /nfs/dbraw/zinc/37/20/81/384372081.db2.gz SNWFTIPQGJUTPL-AWEZNQCLSA-N 0 3 287.407 2.542 20 30 CFEDHN Cc1ccnc(NC[C@@H]2CCCCN2C2CC2)c1C#N ZINC000277524545 384326888 /nfs/dbraw/zinc/32/68/88/384326888.db2.gz VKGFYNLFCAPKAB-AWEZNQCLSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1ccc(CNCCOCC(F)(F)C(F)F)s1 ZINC000277545162 384333406 /nfs/dbraw/zinc/33/34/06/384333406.db2.gz XPWZXVNVYZJWRA-UHFFFAOYSA-N 0 3 296.289 2.626 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(OCCC)cc1C ZINC000641767121 384333427 /nfs/dbraw/zinc/33/34/27/384333427.db2.gz HEAKBJASTHQPDB-INIZCTEOSA-N 0 3 275.392 2.648 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc(C)c(C)cc1OC(F)F ZINC000641766910 384333797 /nfs/dbraw/zinc/33/37/97/384333797.db2.gz DTIIMIFYGUSJEO-CQSZACIVSA-N 0 3 297.345 2.769 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc(C)c(C)cc1OC(F)F ZINC000641766909 384334137 /nfs/dbraw/zinc/33/41/37/384334137.db2.gz DTIIMIFYGUSJEO-AWEZNQCLSA-N 0 3 297.345 2.769 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc(Cl)cc(Cl)c1 ZINC000641768614 384334452 /nfs/dbraw/zinc/33/44/52/384334452.db2.gz DGKAJWSHMWWMJE-CYBMUJFWSA-N 0 3 272.175 2.857 20 30 CFEDHN CC#CC[C@H](CO)NCc1cccc(OC2CCCC2)c1 ZINC000641768903 384334943 /nfs/dbraw/zinc/33/49/43/384334943.db2.gz LFYCQGZZJHMQGQ-MRXNPFEDSA-N 0 3 287.403 2.872 20 30 CFEDHN N#Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000267387668 384377145 /nfs/dbraw/zinc/37/71/45/384377145.db2.gz MXIUPFLFBWHWAL-QGZVFWFLSA-N 0 3 278.359 2.640 20 30 CFEDHN C[C@H]1C[C@@H](Nc2c(C#N)nnc3ccccc32)CN1C1CC1 ZINC000267867634 384480203 /nfs/dbraw/zinc/48/02/03/384480203.db2.gz KNKPFZHGLOFUMK-NWDGAFQWSA-N 0 3 293.374 2.539 20 30 CFEDHN CC[C@@H](NCCC(=O)N[C@@H](C)CC)c1ccc(C#N)cc1 ZINC000278170855 384489234 /nfs/dbraw/zinc/48/92/34/384489234.db2.gz CKIKYTMUWYPHDV-XJKSGUPXSA-N 0 3 287.407 2.904 20 30 CFEDHN CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000268037495 384515691 /nfs/dbraw/zinc/51/56/91/384515691.db2.gz WWZVVEYSLHMLHL-MRXNPFEDSA-N 0 3 299.418 2.950 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCOCC1CC1)CC2 ZINC000353279518 220305143 /nfs/dbraw/zinc/30/51/43/220305143.db2.gz VYZWMDSNVVCGET-MRXNPFEDSA-N 0 3 256.349 2.562 20 30 CFEDHN C[C@H](NCCN1CC=CCC1)c1ccc(C#N)c(F)c1 ZINC000281149265 195124076 /nfs/dbraw/zinc/12/40/76/195124076.db2.gz OITPEBANJFTOFM-ZDUSSCGKSA-N 0 3 273.355 2.610 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000289310484 197292322 /nfs/dbraw/zinc/29/23/22/197292322.db2.gz JCRWFMPSEQELHL-GOSISDBHSA-N 0 3 298.430 2.652 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCN(CCc3ccccc3)CC2)C1 ZINC000278786691 384596498 /nfs/dbraw/zinc/59/64/98/384596498.db2.gz ZZDSXMTWRJWARN-QZTJIDSGSA-N 0 3 283.419 2.539 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000638472739 384683738 /nfs/dbraw/zinc/68/37/38/384683738.db2.gz VZOZJEGCHIJPSJ-HIFRSBDPSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000638474060 384685377 /nfs/dbraw/zinc/68/53/77/384685377.db2.gz HAWZXLGVGDJKHQ-CJNGLKHVSA-N 0 3 270.376 2.646 20 30 CFEDHN C=CCOc1ccccc1CNC1CC(n2cccn2)C1 ZINC000638618174 384786382 /nfs/dbraw/zinc/78/63/82/384786382.db2.gz ZSJPTJOOIDFIMT-UHFFFAOYSA-N 0 3 283.375 2.941 20 30 CFEDHN C=CCN1CCC(Nc2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000269934974 384911105 /nfs/dbraw/zinc/91/11/05/384911105.db2.gz DWNKGOCJHWRPBP-UHFFFAOYSA-N 0 3 286.335 2.529 20 30 CFEDHN C[C@@H](C(=O)NCCC1(O)CCC1)N1CCCCCC1 ZINC000329106605 533096397 /nfs/dbraw/zinc/09/63/97/533096397.db2.gz DLJBLVXPOWZWLK-ZDUSSCGKSA-N 0 3 268.401 2.513 20 30 CFEDHN CN(C)[C@@H](CNc1cnccc1C#N)c1cccs1 ZINC000270003143 384937931 /nfs/dbraw/zinc/93/79/31/384937931.db2.gz YUDNGPOCPKEVIQ-ZDUSSCGKSA-N 0 3 272.377 2.730 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000280372092 384994490 /nfs/dbraw/zinc/99/44/90/384994490.db2.gz DPRZVAJTMXWIKP-NEPJUHHUSA-N 0 3 264.394 2.745 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)C1(N)Cc2ccccc2C1 ZINC000638875193 385008544 /nfs/dbraw/zinc/00/85/44/385008544.db2.gz OKUOCFMCNPSAOJ-UHFFFAOYSA-N 0 3 286.419 2.591 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000280539436 385053105 /nfs/dbraw/zinc/05/31/05/385053105.db2.gz CTVWHZDHVIYXFE-DOMZBBRYSA-N 0 3 265.328 2.602 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccccc1C#N ZINC000270455730 385109748 /nfs/dbraw/zinc/10/97/48/385109748.db2.gz NYNYNHSWEGENSG-RDJZCZTQSA-N 0 3 286.375 2.770 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccc2c1OCCO2 ZINC000280699567 385118182 /nfs/dbraw/zinc/11/81/82/385118182.db2.gz SHDBBESYGHUCPE-ZBFHGGJFSA-N 0 3 289.375 2.529 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nccn1-c1ccccc1 ZINC000280615378 385085709 /nfs/dbraw/zinc/08/57/09/385085709.db2.gz KMRHNSMXFCQWPN-MAUKXSAKSA-N 0 3 297.402 2.943 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000280623164 385087334 /nfs/dbraw/zinc/08/73/34/385087334.db2.gz LFHIBMLKDQUMHL-GUYCJALGSA-N 0 3 291.391 2.862 20 30 CFEDHN C=CCOc1ccc(CN(C)[C@H](C)CO)cc1Cl ZINC000289179896 197254662 /nfs/dbraw/zinc/25/46/62/197254662.db2.gz AJTBPKCLTXXMOL-LLVKDONJSA-N 0 3 269.772 2.717 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000335935994 533108041 /nfs/dbraw/zinc/10/80/41/533108041.db2.gz RSCNERUCODLRRH-QMMMGPOBSA-N 0 3 254.692 2.597 20 30 CFEDHN C=CCN1CC[C@H](N(CC)[C@@H](C)Cc2ccsc2)C1=O ZINC000281414373 385193463 /nfs/dbraw/zinc/19/34/63/385193463.db2.gz RHPWBTYLPFNBIG-ZFWWWQNUSA-N 0 3 292.448 2.788 20 30 CFEDHN CCc1ccc([C@H]2CCN(CC#CCOC)C2)cc1 ZINC000645008622 385160520 /nfs/dbraw/zinc/16/05/20/385160520.db2.gz JMSDTHUCOSGFSJ-KRWDZBQOSA-N 0 3 257.377 2.688 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000645212949 385247926 /nfs/dbraw/zinc/24/79/26/385247926.db2.gz WAJPKMYFSRHBKO-OFQRWUPVSA-N 0 3 291.439 2.515 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(C#N)c(OC)c1 ZINC000282443219 385312475 /nfs/dbraw/zinc/31/24/75/385312475.db2.gz UPDAJGJZIQBWSZ-UHFFFAOYSA-N 0 3 276.380 2.551 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000271002948 385299206 /nfs/dbraw/zinc/29/92/06/385299206.db2.gz WHZNSKMSNGPPEX-KRWDZBQOSA-N 0 3 292.386 2.948 20 30 CFEDHN C#CCCCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000271072593 385329385 /nfs/dbraw/zinc/32/93/85/385329385.db2.gz WCMAGYBCRABILF-UHFFFAOYSA-N 0 3 298.430 2.567 20 30 CFEDHN N#CCOc1ccc(CN[C@@H](CCO)c2ccccc2)cc1 ZINC000271705519 385389160 /nfs/dbraw/zinc/38/91/60/385389160.db2.gz UCEUJTAHFJCSJK-SFHVURJKSA-N 0 3 296.370 2.802 20 30 CFEDHN N#Cc1ccc(CN2CCC3(C2)CCOCC3)s1 ZINC000271171379 385360655 /nfs/dbraw/zinc/36/06/55/385360655.db2.gz AGQNIBRXUFTOHM-UHFFFAOYSA-N 0 3 262.378 2.622 20 30 CFEDHN CN(CCc1cnccn1)Cc1ccccc1C(C)(C)C#N ZINC000271311886 385378742 /nfs/dbraw/zinc/37/87/42/385378742.db2.gz IAAKGAIAAOYJFO-UHFFFAOYSA-N 0 3 294.402 2.952 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000347082013 533113308 /nfs/dbraw/zinc/11/33/08/533113308.db2.gz XNGIJBSPLSGMKX-LBPRGKRZSA-N 0 3 258.365 2.802 20 30 CFEDHN COC1(C)CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000271677565 385388055 /nfs/dbraw/zinc/38/80/55/385388055.db2.gz BYOHFYHIWVCJTI-UHFFFAOYSA-N 0 3 274.364 2.590 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)[C@H]1Cc2ccccc2[C@H]1O ZINC000272006680 385423866 /nfs/dbraw/zinc/42/38/66/385423866.db2.gz SLLAUVKXTZRJSO-ZWKOTPCHSA-N 0 3 278.355 2.648 20 30 CFEDHN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271923044 385402746 /nfs/dbraw/zinc/40/27/46/385402746.db2.gz FJTBMMTUTARZGN-YBTHPKLGSA-N 0 3 296.411 2.895 20 30 CFEDHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271923043 385403044 /nfs/dbraw/zinc/40/30/44/385403044.db2.gz FJTBMMTUTARZGN-PRWKNARSSA-N 0 3 296.411 2.895 20 30 CFEDHN C[C@H](CC[S@@](C)=O)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271969396 385414913 /nfs/dbraw/zinc/41/49/13/385414913.db2.gz UFICATVVHWAHGY-RMDKCXRXSA-N 0 3 282.384 2.505 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272062951 385439406 /nfs/dbraw/zinc/43/94/06/385439406.db2.gz IGCPEWOMJIWHIV-LRDDRELGSA-N 0 3 290.382 2.866 20 30 CFEDHN C=CCOCCCNCc1nc2ccccc2nc1C ZINC000639314714 385440823 /nfs/dbraw/zinc/44/08/23/385440823.db2.gz GJKSYRMLYALQFO-UHFFFAOYSA-N 0 3 271.364 2.621 20 30 CFEDHN CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC000272301242 385503079 /nfs/dbraw/zinc/50/30/79/385503079.db2.gz GZXCZWXESLGBBC-HOTGVXAUSA-N 0 3 272.392 2.787 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000272337710 385514795 /nfs/dbraw/zinc/51/47/95/385514795.db2.gz NUQBWZCEARVZOH-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC000272486358 385550636 /nfs/dbraw/zinc/55/06/36/385550636.db2.gz HGEZYJHUHQNVDE-HOTGVXAUSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1nc(C)ccc1O ZINC000272566209 385565776 /nfs/dbraw/zinc/56/57/76/385565776.db2.gz FIJGMYWJIOUPAT-UHFFFAOYSA-N 0 3 272.348 2.919 20 30 CFEDHN C#CCSCCN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000286342825 385594179 /nfs/dbraw/zinc/59/41/79/385594179.db2.gz YWKOMPZUOAUNBL-JTQLQIEISA-N 0 3 283.418 2.552 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272629180 385579289 /nfs/dbraw/zinc/57/92/89/385579289.db2.gz BCYJPUQZMXPXNM-CYBMUJFWSA-N 0 3 262.397 2.521 20 30 CFEDHN C=CCC[C@H](NC[C@@H](O)C1CCOCC1)c1ccco1 ZINC000286314630 385587796 /nfs/dbraw/zinc/58/77/96/385587796.db2.gz XQWULPYFZRHVEW-LSDHHAIUSA-N 0 3 279.380 2.664 20 30 CFEDHN CCN1CCC(N(C)c2cccc(F)c2C#N)CC1 ZINC000078597881 285186791 /nfs/dbraw/zinc/18/67/91/285186791.db2.gz PDAUAGZEUIRIGY-UHFFFAOYSA-N 0 3 261.344 2.618 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N(C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000286419055 385614108 /nfs/dbraw/zinc/61/41/08/385614108.db2.gz PQWIPRXAICHFNT-SJPCQFCGSA-N 0 3 297.402 2.822 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](C)CCc1ccc(C)cc1 ZINC000272802393 385619777 /nfs/dbraw/zinc/61/97/77/385619777.db2.gz BQDMZCRNOOPZOT-HNNXBMFYSA-N 0 3 295.448 2.507 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CCC[C@@H]1c1ccccc1 ZINC000272800436 385619812 /nfs/dbraw/zinc/61/98/12/385619812.db2.gz BHHZAOLRIIOKOR-CVEARBPZSA-N 0 3 293.432 2.513 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccc(CC)cc1 ZINC000272888103 385642451 /nfs/dbraw/zinc/64/24/51/385642451.db2.gz SDFGMVWWLGXLRA-INIZCTEOSA-N 0 3 295.448 2.891 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1c(C)cc(C)nc1C ZINC000639662096 385645530 /nfs/dbraw/zinc/64/55/30/385645530.db2.gz ANSDBTXZAVRIFD-CVEARBPZSA-N 0 3 260.381 2.830 20 30 CFEDHN CN(CCCN(C)c1ccc(C#N)nc1)Cc1ccco1 ZINC000286565040 385651051 /nfs/dbraw/zinc/65/10/51/385651051.db2.gz PSZQMAXCSXZLPO-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccccc2OC[C@@H]1C ZINC000272947913 385663197 /nfs/dbraw/zinc/66/31/97/385663197.db2.gz MAQABICXOCQWAX-DZGCQCFKSA-N 0 3 261.365 2.597 20 30 CFEDHN CCN1[C@H](C)CN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000639743152 385687430 /nfs/dbraw/zinc/68/74/30/385687430.db2.gz JPKCGTAKDQVDIR-GASCZTMLSA-N 0 3 274.383 2.592 20 30 CFEDHN CN(C)[C@H](CNc1cccnc1C#N)c1ccccc1 ZINC000274021726 385701153 /nfs/dbraw/zinc/70/11/53/385701153.db2.gz LQHMWEVMPWJYFF-MRXNPFEDSA-N 0 3 266.348 2.668 20 30 CFEDHN CN1CC=C(CNc2c(C#N)cnc3ccccc32)CC1 ZINC000274032228 385703822 /nfs/dbraw/zinc/70/38/22/385703822.db2.gz XBXFCYCXXGBYJG-UHFFFAOYSA-N 0 3 278.359 2.780 20 30 CFEDHN C#CCN(C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000274211309 385740281 /nfs/dbraw/zinc/74/02/81/385740281.db2.gz TVKWTQIHYQBNJP-HKUYNNGSSA-N 0 3 299.414 2.539 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccco1 ZINC000287019439 385763950 /nfs/dbraw/zinc/76/39/50/385763950.db2.gz LBGGUQXVHWKTPD-UONOGXRCSA-N 0 3 297.420 2.701 20 30 CFEDHN C=CCCCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000274705863 385853495 /nfs/dbraw/zinc/85/34/95/385853495.db2.gz ZVIRGXQXKAEDMU-UHFFFAOYSA-N 0 3 293.411 2.709 20 30 CFEDHN C=C(C)CCN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000274801171 385873516 /nfs/dbraw/zinc/87/35/16/385873516.db2.gz FHIBXYQFJLTASR-YOEHRIQHSA-N 0 3 251.395 2.662 20 30 CFEDHN C#CCCN1CCN(CCCCc2ccccc2)CC1 ZINC000274814409 385877266 /nfs/dbraw/zinc/87/72/66/385877266.db2.gz INDOKHBCVWTOCR-UHFFFAOYSA-N 0 3 270.420 2.650 20 30 CFEDHN C=C(C)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000275141500 385943983 /nfs/dbraw/zinc/94/39/83/385943983.db2.gz RMOZVFPQIVICIH-UHFFFAOYSA-N 0 3 272.392 2.591 20 30 CFEDHN COc1ccc(CNCC2(OC)CCCC2)cc1C#N ZINC000276636067 386000381 /nfs/dbraw/zinc/00/03/81/386000381.db2.gz PNHQPRCKQOUAOJ-UHFFFAOYSA-N 0 3 274.364 2.616 20 30 CFEDHN Cc1cccc2oc(CCNCc3cc(C#N)n(C)c3)nc21 ZINC000276662499 386008389 /nfs/dbraw/zinc/00/83/89/386008389.db2.gz WJKUBFSRZMOOKQ-UHFFFAOYSA-N 0 3 294.358 2.679 20 30 CFEDHN Cn1cc(CNCCOc2ccccc2Cl)cc1C#N ZINC000276672554 386011740 /nfs/dbraw/zinc/01/17/40/386011740.db2.gz YXDFXAPVIKROST-UHFFFAOYSA-N 0 3 289.766 2.719 20 30 CFEDHN COCC1=CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187728876 533161674 /nfs/dbraw/zinc/16/16/74/533161674.db2.gz DDROIWAZBWXYDI-ZDUSSCGKSA-N 0 3 256.349 2.898 20 30 CFEDHN CCCCN1CCC(Nc2snc(C)c2C#N)CC1 ZINC000288326050 197052693 /nfs/dbraw/zinc/05/26/93/197052693.db2.gz ICZKIXWQDXFCAL-UHFFFAOYSA-N 0 3 278.425 3.000 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000681046630 542404048 /nfs/dbraw/zinc/40/40/48/542404048.db2.gz CPGPILQDKQXWHW-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000681473075 542453867 /nfs/dbraw/zinc/45/38/67/542453867.db2.gz ZGSPPHASELZZKH-CQSZACIVSA-N 0 3 286.423 2.596 20 30 CFEDHN C=CC[C@@H](CC)NCc1cc(C(=O)OC)c(C)o1 ZINC000281237180 195162947 /nfs/dbraw/zinc/16/29/47/195162947.db2.gz LLHRODBQPIZJBA-LLVKDONJSA-N 0 3 251.326 2.819 20 30 CFEDHN C=CC[C@@H](CC)NCc1nccn1CC(F)(F)F ZINC000281244029 195165516 /nfs/dbraw/zinc/16/55/16/195165516.db2.gz FRSJXKFJYOQXDS-SNVBAGLBSA-N 0 3 261.291 2.890 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)Cc2ccccc2)C1=O ZINC000281263209 195172516 /nfs/dbraw/zinc/17/25/16/195172516.db2.gz NIDCYYIKYQBRAN-DOTOQJQBSA-N 0 3 286.419 2.584 20 30 CFEDHN C=CC[C@@H](CC)NCc1c(Br)cnn1C ZINC000281265661 195172958 /nfs/dbraw/zinc/17/29/58/195172958.db2.gz HEOWBVGMAODXQU-SECBINFHSA-N 0 3 272.190 2.627 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3cccc(C)c3)C2)C1=O ZINC000281363141 195211977 /nfs/dbraw/zinc/21/19/77/195211977.db2.gz NZVSPSRXRPNLRJ-IRXDYDNUSA-N 0 3 284.403 2.571 20 30 CFEDHN C=CC[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000681727520 542483326 /nfs/dbraw/zinc/48/33/26/542483326.db2.gz VXPTUZLPZPRHJJ-ZWKOTPCHSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000682497782 542559742 /nfs/dbraw/zinc/55/97/42/542559742.db2.gz IVKDWMJWSKZSTC-LBPRGKRZSA-N 0 3 265.401 2.800 20 30 CFEDHN N#CCSCCCN1CC[C@H](O)c2ccccc2C1 ZINC000373129216 262355559 /nfs/dbraw/zinc/35/55/59/262355559.db2.gz YDWKOIFWIXCIKE-HNNXBMFYSA-N 0 3 276.405 2.573 20 30 CFEDHN CN(C)C(=O)OC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000496750196 262353314 /nfs/dbraw/zinc/35/33/14/262353314.db2.gz FEFUHMHCOZIDEK-UHFFFAOYSA-N 0 3 295.427 2.869 20 30 CFEDHN C=C(C)[C@H](NC[C@@H](O)CC)c1ccc(F)c(F)c1 ZINC000187788065 260059410 /nfs/dbraw/zinc/05/94/10/260059410.db2.gz XRXIAULFSDEDHA-FZMZJTMJSA-N 0 3 255.308 2.943 20 30 CFEDHN CC[C@@H]1CN(CCCOc2cccc(C#N)c2)CCCO1 ZINC000281562849 195289113 /nfs/dbraw/zinc/28/91/13/195289113.db2.gz YJFSEYAXPQDGOY-MRXNPFEDSA-N 0 3 288.391 2.828 20 30 CFEDHN COc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)ccc1C#N ZINC000281661307 195325211 /nfs/dbraw/zinc/32/52/11/195325211.db2.gz KVACLYLOMAWCBV-IRXDYDNUSA-N 0 3 286.375 2.614 20 30 CFEDHN CCCC[C@@H](COC)NCc1ccc(C#N)c(OC)c1 ZINC000281698852 195342046 /nfs/dbraw/zinc/34/20/46/195342046.db2.gz NQXWOTNPXXDSFP-HNNXBMFYSA-N 0 3 276.380 2.862 20 30 CFEDHN C#CC[C@@H](NCC1(CC(=O)OC)CC1)c1ccccc1 ZINC000281642624 195318512 /nfs/dbraw/zinc/31/85/12/195318512.db2.gz MNVXKEOBCQJTRJ-OAHLLOKOSA-N 0 3 271.360 2.684 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2)C2CCC2)C1=O ZINC000281898909 195424978 /nfs/dbraw/zinc/42/49/78/195424978.db2.gz FKZGUPWSJKOADY-IRXDYDNUSA-N 0 3 284.403 2.904 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC000411971491 533270438 /nfs/dbraw/zinc/27/04/38/533270438.db2.gz ONVVPTQQBDXXPE-SJCJKPOMSA-N 0 3 288.391 2.860 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1cc(C#N)cs1)C1CC1 ZINC000414505818 533346653 /nfs/dbraw/zinc/34/66/53/533346653.db2.gz VKSUVAYZIQZLIQ-QMTHXVAHSA-N 0 3 264.394 2.913 20 30 CFEDHN COC(=O)C[C@@H](NC[C@H](C#N)CCC#N)C1CCCCC1 ZINC000347954435 533614307 /nfs/dbraw/zinc/61/43/07/533614307.db2.gz HBBVFXDCFGTNIK-DZGCQCFKSA-N 0 3 291.395 2.532 20 30 CFEDHN N#Cc1cc(NCCCN2CCc3ccccc3C2)ccn1 ZINC000341741130 130014926 /nfs/dbraw/zinc/01/49/26/130014926.db2.gz CVBRLMFWKWLKLE-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN N#Cc1ccccc1CN1CCCCC[C@@H]1CCO ZINC000342023651 130205280 /nfs/dbraw/zinc/20/52/80/130205280.db2.gz RGYZFGUEANBHBQ-MRXNPFEDSA-N 0 3 258.365 2.685 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)o1)C1CCCCC1 ZINC000191674264 130275848 /nfs/dbraw/zinc/27/58/48/130275848.db2.gz PFIIDBZZGXGGGE-OAHLLOKOSA-N 0 3 262.353 2.572 20 30 CFEDHN COc1ccc(CN2CCSCC[C@@H]2C)cc1C#N ZINC000191816256 130309735 /nfs/dbraw/zinc/30/97/35/130309735.db2.gz VTOGYXXOJPNXCW-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@@H]1CCN(CCOc2cccc(C#N)c2)CCS1 ZINC000192188583 130390609 /nfs/dbraw/zinc/39/06/09/130390609.db2.gz FNWDWKAUXOABOB-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN CCOC(=O)[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246386508 131093938 /nfs/dbraw/zinc/09/39/38/131093938.db2.gz NTUYOERLUVCGFU-CJNGLKHVSA-N 0 3 286.375 2.894 20 30 CFEDHN CCC1(C)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000263715045 131315023 /nfs/dbraw/zinc/31/50/23/131315023.db2.gz NTTLVZYNMDGOOS-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=C(C)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264086141 131392355 /nfs/dbraw/zinc/39/23/55/131392355.db2.gz FMWNNPFJFPZSLT-UHFFFAOYSA-N 0 3 256.349 2.978 20 30 CFEDHN CC(C)[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000268707919 132053428 /nfs/dbraw/zinc/05/34/28/132053428.db2.gz STBQJGWLYOYQCF-HOTGVXAUSA-N 0 3 290.432 2.665 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)Cn2ccnc2)cc1 ZINC000268786845 132066001 /nfs/dbraw/zinc/06/60/01/132066001.db2.gz BTDPFJANJUSTRH-GJZGRUSLSA-N 0 3 283.375 2.634 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCc3cn[nH]c32)s1 ZINC000268875636 132081828 /nfs/dbraw/zinc/08/18/28/132081828.db2.gz WPRWUHDSPMPEMN-GFCCVEGCSA-N 0 3 258.350 2.510 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)cc1F)c1cccs1 ZINC000269385876 132163572 /nfs/dbraw/zinc/16/35/72/132163572.db2.gz AYJYMKSHNRAYDL-OAHLLOKOSA-N 0 3 290.363 2.756 20 30 CFEDHN N#Cc1ccc(CNCCN2CCCCCC2)c(F)c1 ZINC000269435783 132170641 /nfs/dbraw/zinc/17/06/41/132170641.db2.gz QTLBYXKOUZGWLE-UHFFFAOYSA-N 0 3 275.371 2.663 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000269440567 132171295 /nfs/dbraw/zinc/17/12/95/132171295.db2.gz SKDNEEGIWODIBO-ZIAGYGMSSA-N 0 3 289.398 2.907 20 30 CFEDHN CC(C)C[C@H](CNCc1ccc(C#N)cc1F)N(C)C ZINC000269449882 132173117 /nfs/dbraw/zinc/17/31/17/132173117.db2.gz VLHRPWVPQJQTLV-OAHLLOKOSA-N 0 3 277.387 2.763 20 30 CFEDHN COc1ccc(CN(C)C2CC2)cc1OCCCC#N ZINC000179305687 393461905 /nfs/dbraw/zinc/46/19/05/393461905.db2.gz UHWFOCSZSXMOSR-UHFFFAOYSA-N 0 3 274.364 2.972 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@@H]2C2CCC2)CCCCC1 ZINC000373969512 393477935 /nfs/dbraw/zinc/47/79/35/393477935.db2.gz CUSVVXWHEDDWQW-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN CCCNC(=O)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186161891 393540141 /nfs/dbraw/zinc/54/01/41/393540141.db2.gz AKEGVDZYFLIYSK-UHFFFAOYSA-N 0 3 299.418 2.605 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccsc3)C[C@H]2C)C1=O ZINC000374162184 393486571 /nfs/dbraw/zinc/48/65/71/393486571.db2.gz NKUSQMRPRJLVKN-SNPRPXQTSA-N 0 3 290.432 2.713 20 30 CFEDHN C#CCCN1CCC(F)(c2cccc(OC)c2)CC1 ZINC000374171854 393487753 /nfs/dbraw/zinc/48/77/53/393487753.db2.gz KIHPCMSBRKAMQB-UHFFFAOYSA-N 0 3 261.340 2.979 20 30 CFEDHN C#CCOc1ccccc1CN1CCCO[C@H]2CCC[C@H]21 ZINC000374253132 393489269 /nfs/dbraw/zinc/48/92/69/393489269.db2.gz FCQNQOKWNPODNC-AEFFLSMTSA-N 0 3 285.387 2.842 20 30 CFEDHN Cc1cncc([C@@H](C)NCCOc2ccc(C#N)cc2)c1 ZINC000184410127 393527556 /nfs/dbraw/zinc/52/75/56/393527556.db2.gz WJQZGTSDMZXGQY-CQSZACIVSA-N 0 3 281.359 2.991 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(F)c1 ZINC000185849178 393538132 /nfs/dbraw/zinc/53/81/32/393538132.db2.gz GWJUODIYXDCIHQ-RISCZKNCSA-N 0 3 257.312 2.869 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C#N)CCCCC1 ZINC000329853358 393549736 /nfs/dbraw/zinc/54/97/36/393549736.db2.gz VKLUUBZNNUGRJL-OCCSQVGLSA-N 0 3 275.396 2.900 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000330162511 393551618 /nfs/dbraw/zinc/55/16/18/393551618.db2.gz UNISSQCSUBQLHP-LOWVWBTDSA-N 0 3 276.384 2.616 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000380962994 393558969 /nfs/dbraw/zinc/55/89/69/393558969.db2.gz XIKYKAVYOJBRIJ-IRXDYDNUSA-N 0 3 299.418 2.565 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCC)C(C)C ZINC000046049372 393575149 /nfs/dbraw/zinc/57/51/49/393575149.db2.gz XEJZBFSRMCRQDS-AWEZNQCLSA-N 0 3 252.402 2.601 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)cc1F ZINC000334298290 393591227 /nfs/dbraw/zinc/59/12/27/393591227.db2.gz NWMXHDBWKCFMLY-HTQZYQBOSA-N 0 3 299.143 2.925 20 30 CFEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)CN1C ZINC000334798084 393622839 /nfs/dbraw/zinc/62/28/39/393622839.db2.gz UMWGLNVNPKVYGG-CABCVRRESA-N 0 3 263.429 2.875 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1O ZINC000192800022 393632223 /nfs/dbraw/zinc/63/22/23/393632223.db2.gz XUAJGDYJGNNRKQ-WCQYABFASA-N 0 3 260.337 2.573 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(C(C)C)CC1 ZINC000335114315 393643080 /nfs/dbraw/zinc/64/30/80/393643080.db2.gz NGIGHFSXTBXBCC-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000335599148 393682924 /nfs/dbraw/zinc/68/29/24/393682924.db2.gz UUJPJTRUFYPGFW-LBPRGKRZSA-N 0 3 296.374 2.504 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cc(-c2ccco2)on1 ZINC000411644177 393733889 /nfs/dbraw/zinc/73/38/89/393733889.db2.gz QNOHRXWROVOBFV-UHFFFAOYSA-N 0 3 289.379 2.874 20 30 CFEDHN COCCN(CCC1(C#N)CCCCC1)[C@@H]1CCO[C@H]1C ZINC000411658053 393736142 /nfs/dbraw/zinc/73/61/42/393736142.db2.gz VWIRMVLGEATKAH-JKSUJKDBSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@H](CN1CCOCC1)N(C)CCC1(C#N)CCCCC1 ZINC000411679455 393738403 /nfs/dbraw/zinc/73/84/03/393738403.db2.gz CNFQONQNDVCFQT-MRXNPFEDSA-N 0 3 293.455 2.503 20 30 CFEDHN COc1cccc2c1CCN([C@H](C)CCC#N)CC2 ZINC000411689323 393739410 /nfs/dbraw/zinc/73/94/10/393739410.db2.gz NTTYRYVTRLJSRC-CYBMUJFWSA-N 0 3 258.365 2.788 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)C1(CO)CCC1 ZINC000411752846 393745836 /nfs/dbraw/zinc/74/58/36/393745836.db2.gz BQMRELRTXVWLFI-UHFFFAOYSA-N 0 3 250.386 2.697 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000411818687 393751514 /nfs/dbraw/zinc/75/15/14/393751514.db2.gz PNJFJGPHHLWEMZ-WFASDCNBSA-N 0 3 266.385 2.732 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CCC(C)CC1 ZINC000077247103 393696743 /nfs/dbraw/zinc/69/67/43/393696743.db2.gz DVSWIQPOLLOGII-UHFFFAOYSA-N 0 3 274.364 2.678 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411620425 393730433 /nfs/dbraw/zinc/73/04/33/393730433.db2.gz PKNCLZQCHHXFFD-ZIAGYGMSSA-N 0 3 278.396 2.734 20 30 CFEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000412034659 393761258 /nfs/dbraw/zinc/76/12/58/393761258.db2.gz DISMXODDUYIGNP-HLLBOEOZSA-N 0 3 289.806 2.784 20 30 CFEDHN C=C[C@H](C)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412182651 393764218 /nfs/dbraw/zinc/76/42/18/393764218.db2.gz KHFJONVYKMZXOE-AWEZNQCLSA-N 0 3 272.392 2.977 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000412283830 393765792 /nfs/dbraw/zinc/76/57/92/393765792.db2.gz DRNYYBKYHMQILF-APIJFGDWSA-N 0 3 264.413 2.815 20 30 CFEDHN Cc1cc(N[C@@H]2CCCN(C)[C@@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413238583 393780169 /nfs/dbraw/zinc/78/01/69/393780169.db2.gz IFVYUOHMOMOWCY-DGCLKSJQSA-N 0 3 288.351 2.670 20 30 CFEDHN C=CCCCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338324149 393781974 /nfs/dbraw/zinc/78/19/74/393781974.db2.gz NHEHBAHGGODXNU-UHFFFAOYSA-N 0 3 280.437 2.961 20 30 CFEDHN C[C@@H]1C[C@H](Nc2nccc(C#N)c2Cl)CCN1C ZINC000235420732 393784503 /nfs/dbraw/zinc/78/45/03/393784503.db2.gz YCYCGFCDDILCCI-MWLCHTKSSA-N 0 3 264.760 2.501 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCCCN1CCCC ZINC000338423662 393786394 /nfs/dbraw/zinc/78/63/94/393786394.db2.gz MPNTYZMSCCUIPW-HOTGVXAUSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CC[C@H]1N(C(=O)[C@H](CC)N(C)C)CCCC1(C)C ZINC000413790408 393789135 /nfs/dbraw/zinc/78/91/35/393789135.db2.gz WXAFOSKBSASZDO-UONOGXRCSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CCCN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000338566766 393791101 /nfs/dbraw/zinc/79/11/01/393791101.db2.gz LKOAXAFVFJAAQK-OAHLLOKOSA-N 0 3 259.349 2.725 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)C(C#N)CCc2ccccc2)CS1 ZINC000413963467 393792348 /nfs/dbraw/zinc/79/23/48/393792348.db2.gz UONLYVVKZCFTPR-SNPRPXQTSA-N 0 3 288.416 2.769 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](CC)N(C)C ZINC000413986625 393793183 /nfs/dbraw/zinc/79/31/83/393793183.db2.gz MBUZGIZYMYKORD-HZPDHXFCSA-N 0 3 274.408 2.630 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C ZINC000413991688 393793385 /nfs/dbraw/zinc/79/33/85/393793385.db2.gz WJKZQQGYGGJLSM-IRXDYDNUSA-N 0 3 288.435 2.876 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](CC)N(C)C ZINC000413986623 393793515 /nfs/dbraw/zinc/79/35/15/393793515.db2.gz MBUZGIZYMYKORD-CVEARBPZSA-N 0 3 274.408 2.630 20 30 CFEDHN N#CC(C(=O)Nc1cccnc1)c1nc2ccccc2s1 ZINC000338623220 393794630 /nfs/dbraw/zinc/79/46/30/393794630.db2.gz BRHYOEFMPCYKLV-NSHDSACASA-N 0 3 294.339 2.937 20 30 CFEDHN C=CCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000338677624 393795093 /nfs/dbraw/zinc/79/50/93/393795093.db2.gz FUWNBHIIKSETCI-HNNXBMFYSA-N 0 3 260.381 2.680 20 30 CFEDHN CCCN(Cc1ccc(C#N)o1)C[C@H]1CCCCO1 ZINC000093132386 393795913 /nfs/dbraw/zinc/79/59/13/393795913.db2.gz ZYXVICUOOJUCNN-CQSZACIVSA-N 0 3 262.353 2.932 20 30 CFEDHN C=CCOCCN1CCC(OCCc2ccccc2)CC1 ZINC000338933102 393806047 /nfs/dbraw/zinc/80/60/47/393806047.db2.gz HDZUOCKVUVOCBS-UHFFFAOYSA-N 0 3 289.419 2.913 20 30 CFEDHN C=CCOCCN(C)[C@H](C)c1sc(C)nc1C ZINC000338981792 393809019 /nfs/dbraw/zinc/80/90/19/393809019.db2.gz PVKSZQGLJNOTJZ-LLVKDONJSA-N 0 3 254.399 2.955 20 30 CFEDHN COc1ccc(C2CCN(CCOCCC#N)CC2)cc1 ZINC000339012178 393810222 /nfs/dbraw/zinc/81/02/22/393810222.db2.gz ZQYZOHLSZOGUAU-UHFFFAOYSA-N 0 3 288.391 2.805 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ccccn3)CC2)C1 ZINC000339037659 393812530 /nfs/dbraw/zinc/81/25/30/393812530.db2.gz PHTBDVRSZQUUAH-KBPBESRZSA-N 0 3 271.364 2.617 20 30 CFEDHN N#CCCOCCN1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000339058397 393813592 /nfs/dbraw/zinc/81/35/92/393813592.db2.gz CTZKNFNGSDCQBV-OAHLLOKOSA-N 0 3 294.782 2.723 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnn2)C1 ZINC000425503485 393881483 /nfs/dbraw/zinc/88/14/83/393881483.db2.gz JATXLKRAQAXYFU-CJNGLKHVSA-N 0 3 281.363 2.548 20 30 CFEDHN CO[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425536966 393882122 /nfs/dbraw/zinc/88/21/22/393882122.db2.gz PTFWRPOEPLXIGI-MLGOLLRUSA-N 0 3 258.365 2.976 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](N)CC(F)F ZINC000345701518 393914310 /nfs/dbraw/zinc/91/43/10/393914310.db2.gz VXCSBSNTWSLZHL-GFCCVEGCSA-N 0 3 274.355 2.564 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000426959486 393890997 /nfs/dbraw/zinc/89/09/97/393890997.db2.gz JLMWUMUSDHJTEO-GUIRCDHDSA-N 0 3 256.349 2.939 20 30 CFEDHN N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000113710762 393898080 /nfs/dbraw/zinc/89/80/80/393898080.db2.gz OBNNEOGYNAKNQM-LBPRGKRZSA-N 0 3 285.234 2.619 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000113710762 393898087 /nfs/dbraw/zinc/89/80/87/393898087.db2.gz OBNNEOGYNAKNQM-LBPRGKRZSA-N 0 3 285.234 2.619 20 30 CFEDHN CO[C@H](CCNCc1ccc(C#N)s1)C(F)(F)F ZINC000344824319 393904129 /nfs/dbraw/zinc/90/41/29/393904129.db2.gz YNERDUJUNLJKOD-SNVBAGLBSA-N 0 3 278.299 2.677 20 30 CFEDHN CC1CCC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115598093 393905950 /nfs/dbraw/zinc/90/59/50/393905950.db2.gz BXCROOMWKVNMGP-LDZOIKDWSA-N 0 3 285.391 2.501 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000345713472 393914107 /nfs/dbraw/zinc/91/41/07/393914107.db2.gz PEPYGSRCVZPTTL-ZDUSSCGKSA-N 0 3 287.411 2.732 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(OC2CCCCC2)c1 ZINC000345745977 393915973 /nfs/dbraw/zinc/91/59/73/393915973.db2.gz FVBHEASENJNVBC-GFCCVEGCSA-N 0 3 287.363 2.569 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000416401585 393916000 /nfs/dbraw/zinc/91/60/00/393916000.db2.gz UKNMUFJBVBVXIX-LDYMZIIASA-N 0 3 297.280 2.622 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc2c(s1)CCC2 ZINC000684767374 542851314 /nfs/dbraw/zinc/85/13/14/542851314.db2.gz GSOZIAHZRFANJZ-XHDPSFHLSA-N 0 3 278.421 2.703 20 30 CFEDHN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C(C)C#N ZINC000346180717 393923012 /nfs/dbraw/zinc/92/30/12/393923012.db2.gz DPWZSZNJWIJIGS-NEPJUHHUSA-N 0 3 284.363 2.954 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC000416693190 393942273 /nfs/dbraw/zinc/94/22/73/393942273.db2.gz RWLNJHDZDFSGFR-ZNMIVQPWSA-N 0 3 293.455 2.713 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000120909560 393943882 /nfs/dbraw/zinc/94/38/82/393943882.db2.gz GDHFOKDANNXDTC-MRXNPFEDSA-N 0 3 294.826 2.789 20 30 CFEDHN Cc1ccnc(N2CCN(CC(C)(C)CCC#N)CC2)c1 ZINC000120927138 393943912 /nfs/dbraw/zinc/94/39/12/393943912.db2.gz MPEUPSIETZJTMA-UHFFFAOYSA-N 0 3 286.423 2.842 20 30 CFEDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352894399 394021195 /nfs/dbraw/zinc/02/11/95/394021195.db2.gz MTMKEMYEWSTHOT-STQMWFEESA-N 0 3 298.308 2.826 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000121242364 393952460 /nfs/dbraw/zinc/95/24/60/393952460.db2.gz KBUDODPZQJKSNG-MRXNPFEDSA-N 0 3 295.386 2.801 20 30 CFEDHN CO[C@H](C)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352933363 394022278 /nfs/dbraw/zinc/02/22/78/394022278.db2.gz GICJNFXHOQWVAO-SECBINFHSA-N 0 3 272.270 2.702 20 30 CFEDHN N#CC1(F)CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000348711468 393957368 /nfs/dbraw/zinc/95/73/68/393957368.db2.gz RFBCHBQHLDCVLC-UHFFFAOYSA-N 0 3 257.312 2.996 20 30 CFEDHN CC(C)[C@H]1CN(c2cc(Cl)ccc2C#N)CCN1C ZINC000487099890 393983563 /nfs/dbraw/zinc/98/35/63/393983563.db2.gz NBVMSDSFQGJRQC-OAHLLOKOSA-N 0 3 277.799 2.988 20 30 CFEDHN C[C@H](N[C@@H]1Cc2ccccc2[C@H]1O)c1ccc(C#N)cc1 ZINC000272086078 394025555 /nfs/dbraw/zinc/02/55/55/394025555.db2.gz XCHKWQZYKLIVJQ-JBBXEZCESA-N 0 3 278.355 2.867 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC)c1cccc(Cl)c1 ZINC000125274173 394004983 /nfs/dbraw/zinc/00/49/83/394004983.db2.gz AVJOHAOMQQFYFT-CYBMUJFWSA-N 0 3 266.772 2.683 20 30 CFEDHN Cc1ccc(Cl)cc1NC(=O)C(C#N)c1ccncn1 ZINC000487502965 394006487 /nfs/dbraw/zinc/00/64/87/394006487.db2.gz MXDLPFUSXATOIP-LLVKDONJSA-N 0 3 286.722 2.684 20 30 CFEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000489427210 394041344 /nfs/dbraw/zinc/04/13/44/394041344.db2.gz LZFIHZVHTYFGPD-MRXNPFEDSA-N 0 3 283.375 2.927 20 30 CFEDHN COC(=O)[C@@H]1CC12CCN([C@H](C)c1cccc(C#N)c1)CC2 ZINC000275572330 394047738 /nfs/dbraw/zinc/04/77/38/394047738.db2.gz IEUVTZBMYLYJEL-CJNGLKHVSA-N 0 3 298.386 2.894 20 30 CFEDHN C#C[C@@H](CC)NCc1cn(C)nc1-c1ccccc1 ZINC000491350761 394048645 /nfs/dbraw/zinc/04/86/45/394048645.db2.gz QCJORYCQBQTETF-HNNXBMFYSA-N 0 3 253.349 2.589 20 30 CFEDHN C#C[C@H](CC)NC[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491418018 394050326 /nfs/dbraw/zinc/05/03/26/394050326.db2.gz PDDBLMXWBDRCEJ-KGLIPLIRSA-N 0 3 285.309 2.914 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437291719 394052542 /nfs/dbraw/zinc/05/25/42/394052542.db2.gz OHEJJIPRGRXVFR-KNXALSJPSA-N 0 3 264.328 2.972 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000437315130 394052917 /nfs/dbraw/zinc/05/29/17/394052917.db2.gz XTELINWALHEQPL-VAOFZXAKSA-N 0 3 266.703 2.611 20 30 CFEDHN C[C@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000276918338 394053244 /nfs/dbraw/zinc/05/32/44/394053244.db2.gz GUOKXLBQOMVMHC-SWLSCSKDSA-N 0 3 284.359 2.695 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H]1CC(C)C ZINC000355404971 394064627 /nfs/dbraw/zinc/06/46/27/394064627.db2.gz XHPGKQZTNBYUSB-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](C)C(C)(C)c2ccccc2)C1=O ZINC000281969165 394102447 /nfs/dbraw/zinc/10/24/47/394102447.db2.gz KZJGORXQYNSDNP-GOEBONIOSA-N 0 3 286.419 2.729 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000355450570 394066059 /nfs/dbraw/zinc/06/60/59/394066059.db2.gz XRHFZQGWGLYSII-ZDUSSCGKSA-N 0 3 284.469 2.532 20 30 CFEDHN Cc1ccncc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000492635181 394073093 /nfs/dbraw/zinc/07/30/93/394073093.db2.gz YOVVZVQHMDADDE-LBPRGKRZSA-N 0 3 290.326 2.767 20 30 CFEDHN C[C@H](O)C(C)(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356444915 394077347 /nfs/dbraw/zinc/07/73/47/394077347.db2.gz YROVCZHLLGMYMR-VIFPVBQESA-N 0 3 286.297 2.826 20 30 CFEDHN COc1cc(CNC[C@@H](c2ccco2)N(C)C)ccc1C#N ZINC000281842587 394082232 /nfs/dbraw/zinc/08/22/32/394082232.db2.gz YMJKCPOTCPERJR-HNNXBMFYSA-N 0 3 299.374 2.552 20 30 CFEDHN COc1cc(CN[C@H](CCO)c2ccccc2)ccc1C#N ZINC000281845038 394082647 /nfs/dbraw/zinc/08/26/47/394082647.db2.gz YPTLCBUAUMUZBY-QGZVFWFLSA-N 0 3 296.370 2.780 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](CCC)c2ccccc2)C1=O ZINC000281934134 394097165 /nfs/dbraw/zinc/09/71/65/394097165.db2.gz IGDKISRUJGWVQW-CVEARBPZSA-N 0 3 272.392 2.904 20 30 CFEDHN Cc1cc(CN2CCCC[C@H]2CCO)ccc1C#N ZINC000487913834 394030302 /nfs/dbraw/zinc/03/03/02/394030302.db2.gz NVMRHEPNXAZQKG-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000272982270 394032237 /nfs/dbraw/zinc/03/22/37/394032237.db2.gz DGVSLFMOBGZXNB-INIZCTEOSA-N 0 3 292.386 2.948 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000281952812 394100015 /nfs/dbraw/zinc/10/00/15/394100015.db2.gz SHLIGNAEKIMYQU-VXGBXAGGSA-N 0 3 278.421 2.750 20 30 CFEDHN CCn1cccc(CN[C@H]2CCc3ccc(C#N)cc32)c1=O ZINC000353648442 394034141 /nfs/dbraw/zinc/03/41/41/394034141.db2.gz ALOKIXHGXFDNEM-KRWDZBQOSA-N 0 3 293.370 2.517 20 30 CFEDHN CN(CCN(C)C1CC1)Cc1ccc(C#N)cc1Cl ZINC000439437480 394115920 /nfs/dbraw/zinc/11/59/20/394115920.db2.gz JJPSUGPBDZALQL-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2cc(F)ccc21 ZINC000359232177 394128120 /nfs/dbraw/zinc/12/81/20/394128120.db2.gz ZMBGOECTQIIMAR-WFASDCNBSA-N 0 3 279.355 2.814 20 30 CFEDHN C=CCN(CCC#N)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000359441183 394134107 /nfs/dbraw/zinc/13/41/07/394134107.db2.gz GMFMBIIANOANHV-INIZCTEOSA-N 0 3 289.423 2.712 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000442669281 394139056 /nfs/dbraw/zinc/13/90/56/394139056.db2.gz GNSZGOZWPBDNTR-UXLLHSPISA-N 0 3 296.455 2.594 20 30 CFEDHN CN(C)[C@H](CNc1cc(C#N)ccn1)c1ccccc1 ZINC000285711849 394146293 /nfs/dbraw/zinc/14/62/93/394146293.db2.gz RRPJTBMJCZFDRW-OAHLLOKOSA-N 0 3 266.348 2.668 20 30 CFEDHN CC#CCCN1CCN(Cc2ccccc2)C[C@H]1C ZINC000360448788 394152136 /nfs/dbraw/zinc/15/21/36/394152136.db2.gz QCCZGAWZLDUKAM-MRXNPFEDSA-N 0 3 256.393 2.606 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H](CCO)CC2)ccc1F ZINC000421008557 394154966 /nfs/dbraw/zinc/15/49/66/394154966.db2.gz DFCPGCZCQIBUIS-CYBMUJFWSA-N 0 3 276.355 2.682 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360693055 394158039 /nfs/dbraw/zinc/15/80/39/394158039.db2.gz XXJRQSXVQRHVNM-AEFFLSMTSA-N 0 3 287.403 2.835 20 30 CFEDHN CNC(=O)C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000360922939 394161378 /nfs/dbraw/zinc/16/13/78/394161378.db2.gz ZNMISPSWNSKELK-IMJJTQAJSA-N 0 3 285.391 2.536 20 30 CFEDHN C[C@@](CO)(CNCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421359980 394199825 /nfs/dbraw/zinc/19/98/25/394199825.db2.gz YBFCYUSFEHHEKO-SFHVURJKSA-N 0 3 298.361 2.737 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364429400 394212287 /nfs/dbraw/zinc/21/22/87/394212287.db2.gz UJBSHDZCADGSBB-FVQBIDKESA-N 0 3 288.366 2.943 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)CC1(SC)CC1 ZINC000289136617 394216449 /nfs/dbraw/zinc/21/64/49/394216449.db2.gz PCKGSMOVNKHEJH-UHFFFAOYSA-N 0 3 290.432 2.902 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000289695400 394221219 /nfs/dbraw/zinc/22/12/19/394221219.db2.gz OLHWHLKJCNLEOX-HNNXBMFYSA-N 0 3 297.320 2.947 20 30 CFEDHN C#C[C@@H](NCc1ccccc1N1CCOCC1)C(C)(C)C ZINC000290003089 394225927 /nfs/dbraw/zinc/22/59/27/394225927.db2.gz DCJAIXXIPZUVNC-QGZVFWFLSA-N 0 3 286.419 2.661 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000366178481 394240462 /nfs/dbraw/zinc/24/04/62/394240462.db2.gz LOUNTAVRKGDADC-WMZOPIPTSA-N 0 3 297.402 2.615 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@]3(C2)CCCOC3)cc1 ZINC000366948865 394249720 /nfs/dbraw/zinc/24/97/20/394249720.db2.gz ZQRRDUCBAFINRJ-QGZVFWFLSA-N 0 3 273.351 2.680 20 30 CFEDHN CC[C@@H](C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000367057790 394250341 /nfs/dbraw/zinc/25/03/41/394250341.db2.gz NDIAWSWQXWLDIG-CQSZACIVSA-N 0 3 257.381 2.985 20 30 CFEDHN CC[C@@H]1CCCCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000150748034 394251186 /nfs/dbraw/zinc/25/11/86/394251186.db2.gz ZKCOMKWZLOVPKU-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CCN(C(=O)NCC)C1)c1ccco1 ZINC000286098708 394192045 /nfs/dbraw/zinc/19/20/45/394192045.db2.gz MKSBTRYYBSJEDR-ZIAGYGMSSA-N 0 3 291.395 2.680 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](O)Cc1ccccc1 ZINC000421343737 394192788 /nfs/dbraw/zinc/19/27/88/394192788.db2.gz QMRCFIIKHSRILV-SCLBCKFNSA-N 0 3 298.361 2.779 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)[C@@H]1SC ZINC000421349382 394194364 /nfs/dbraw/zinc/19/43/64/394194364.db2.gz IPKCHEHYULSPGQ-XQQFMLRXSA-N 0 3 282.434 2.618 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(C#N)cc1F ZINC000286296691 394195314 /nfs/dbraw/zinc/19/53/14/394195314.db2.gz JDIHHFVHSONVBF-TZMCWYRMSA-N 0 3 273.355 2.760 20 30 CFEDHN CCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000151053445 394259814 /nfs/dbraw/zinc/25/98/14/394259814.db2.gz NAFUCGZOZGSBLY-OAHLLOKOSA-N 0 3 285.391 2.645 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\C2CCCC2)CC1 ZINC000493516846 394264996 /nfs/dbraw/zinc/26/49/96/394264996.db2.gz JTWYXNLIMNLKMF-FPLPWBNLSA-N 0 3 276.424 2.890 20 30 CFEDHN C[C@]1(CO)CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000493606057 394288866 /nfs/dbraw/zinc/28/88/66/394288866.db2.gz OLRSCIQNOSLTAS-HZPDHXFCSA-N 0 3 277.795 2.832 20 30 CFEDHN CC#CCCN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000155057395 394308889 /nfs/dbraw/zinc/30/88/89/394308889.db2.gz KMPCPYPINMJYHU-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN CC[C@H](O)[C@H](CC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453378498 394392533 /nfs/dbraw/zinc/39/25/33/394392533.db2.gz QTNCZFFNGPPGAS-ONERCXAPSA-N 0 3 264.344 2.897 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@@H](c3cccnc3)C2)cc1 ZINC000519712810 394376255 /nfs/dbraw/zinc/37/62/55/394376255.db2.gz PVECLSIVAZFDBL-QGZVFWFLSA-N 0 3 293.370 2.822 20 30 CFEDHN CC(C)(CC#N)CNC[C@H](O)COc1ccccc1Cl ZINC000520220276 394378389 /nfs/dbraw/zinc/37/83/89/394378389.db2.gz XERBDJNGJHXHLF-LBPRGKRZSA-N 0 3 296.798 2.609 20 30 CFEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccccn1 ZINC000174704041 394379630 /nfs/dbraw/zinc/37/96/30/394379630.db2.gz GIXVZDRWHMWJBV-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN N#CCCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175163680 394380326 /nfs/dbraw/zinc/38/03/26/394380326.db2.gz YMPBZNCUQRVTEC-QGZVFWFLSA-N 0 3 299.418 2.965 20 30 CFEDHN C[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)[C@H](C)CN1C ZINC000525958516 394383986 /nfs/dbraw/zinc/38/39/86/394383986.db2.gz YSKQCFPRSUOPSP-CHWSQXEVSA-N 0 3 280.375 2.635 20 30 CFEDHN C[C@@H](NC[C@@H]1CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000453347130 394388294 /nfs/dbraw/zinc/38/82/94/394388294.db2.gz DZKXUKXYZMCFCD-PVXIVEMSSA-N 0 3 276.355 2.899 20 30 CFEDHN CC(C)(C)c1csc(CNC(=N)Nc2ccccn2)n1 ZINC000178569313 394389602 /nfs/dbraw/zinc/38/96/02/394389602.db2.gz ULIUFPTTWIQFFO-UHFFFAOYSA-N 0 3 289.408 2.762 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(C#N)cc1F ZINC000527803225 394409388 /nfs/dbraw/zinc/40/93/88/394409388.db2.gz DKUFGIBUQHSNHI-RSQPEXBXSA-N 0 3 262.328 2.599 20 30 CFEDHN COCc1ccc(NC(=O)C(C)C(F)(F)F)cc1C#N ZINC000529815569 394425545 /nfs/dbraw/zinc/42/55/45/394425545.db2.gz GOZSXGGQPIYVLV-MRVPVSSYSA-N 0 3 286.253 2.842 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cccc(C#N)c1 ZINC000548125740 394913098 /nfs/dbraw/zinc/91/30/98/394913098.db2.gz PCSUTLHFNOJOEX-MRXNPFEDSA-N 0 3 285.391 2.505 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNc1ccncc1C#N)c1ccco1 ZINC000557693886 395043673 /nfs/dbraw/zinc/04/36/73/395043673.db2.gz NLMAVLUFFWQLPH-DOMZBBRYSA-N 0 3 284.363 2.509 20 30 CFEDHN C=CCC1(C(=O)N2CCN(c3ccncc3)CC2)CCCC1 ZINC000648439637 395142857 /nfs/dbraw/zinc/14/28/57/395142857.db2.gz CXPPDZIBLNQCHB-UHFFFAOYSA-N 0 3 299.418 2.867 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000648997502 395391054 /nfs/dbraw/zinc/39/10/54/395391054.db2.gz QYNIXPMNMHFLKU-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccccc1N1CCCC1 ZINC000649222467 395454372 /nfs/dbraw/zinc/45/43/72/395454372.db2.gz LNXPSJGJDXQDOJ-QGZVFWFLSA-N 0 3 274.408 2.656 20 30 CFEDHN C=CCN(CCc1ccco1)CCc1cncc(C)n1 ZINC000649578549 395529995 /nfs/dbraw/zinc/52/99/95/395529995.db2.gz VAAHYIFISXNQNU-UHFFFAOYSA-N 0 3 271.364 2.651 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649662733 395548492 /nfs/dbraw/zinc/54/84/92/395548492.db2.gz NRXXHFRZDUIKNM-HZPDHXFCSA-N 0 3 263.356 2.726 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC2(CC1)C(F)(F)C2(F)F ZINC000649710699 395556640 /nfs/dbraw/zinc/55/66/40/395556640.db2.gz JWZNTXZVMHSLIW-SNVBAGLBSA-N 0 3 281.293 2.680 20 30 CFEDHN C=CCCCCCN1CCN(CCOC)CC1(C)C ZINC000649850968 395581072 /nfs/dbraw/zinc/58/10/72/395581072.db2.gz HCCBWUMSGCZBTP-UHFFFAOYSA-N 0 3 268.445 2.775 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000044809145 397568524 /nfs/dbraw/zinc/56/85/24/397568524.db2.gz ULLPZKSOAFFETA-YIZLIVJESA-N 0 3 260.381 2.867 20 30 CFEDHN COC[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000307764024 397645491 /nfs/dbraw/zinc/64/54/91/397645491.db2.gz KXKCEABDQMPWAT-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN Cc1ccc(C)c(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000825158466 782003100 /nfs/dbraw/zinc/00/31/00/782003100.db2.gz LRCOXLLUPGKVMD-HKMIMPICSA-N 0 3 253.305 2.736 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CCC(C)CC1 ZINC000660395085 413285281 /nfs/dbraw/zinc/28/52/81/413285281.db2.gz GRUNNIHAHDOHOE-IYBDPMFKSA-N 0 3 291.439 2.611 20 30 CFEDHN CN(C)[C@H](CNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000343088749 154111031 /nfs/dbraw/zinc/11/10/31/154111031.db2.gz ZYPYRQLECBJFSN-INIZCTEOSA-N 0 3 299.443 2.882 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000343113681 154116474 /nfs/dbraw/zinc/11/64/74/154116474.db2.gz LFATWUFYKFXLDU-KRWDZBQOSA-N 0 3 266.344 2.724 20 30 CFEDHN C[C@H](NC[C@H](CO)c1cccnc1)c1ccc(C#N)c(F)c1 ZINC000348249423 154379598 /nfs/dbraw/zinc/37/95/98/154379598.db2.gz YUYCSUBIQFPDAU-BLLLJJGKSA-N 0 3 299.349 2.519 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000355780778 155085144 /nfs/dbraw/zinc/08/51/44/155085144.db2.gz IIKFSDBFLIYQQL-QLFBSQMISA-N 0 3 299.418 2.541 20 30 CFEDHN Cc1nsc(NC[C@@H](C)N2CCCC[C@H]2C)c1C#N ZINC000360960763 156063997 /nfs/dbraw/zinc/06/39/97/156063997.db2.gz LVASMEUZFPNKAK-GHMZBOCLSA-N 0 3 278.425 2.998 20 30 CFEDHN CN(C)[C@@H](CNC(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000362982213 156137427 /nfs/dbraw/zinc/13/74/27/156137427.db2.gz IRPPNCMNLJUKTJ-AWEZNQCLSA-N 0 3 299.399 2.652 20 30 CFEDHN C[C@H](NCC1(O)Cc2ccccc2C1)c1ccc(C#N)s1 ZINC000371274810 156755283 /nfs/dbraw/zinc/75/52/83/156755283.db2.gz HJZVVRKDDQNVCT-LBPRGKRZSA-N 0 3 298.411 2.800 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@](C)(OC)CC1 ZINC000373650181 157017386 /nfs/dbraw/zinc/01/73/86/157017386.db2.gz XQXKVHHLPSXKKZ-KRWDZBQOSA-N 0 3 288.391 2.958 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000651273465 413389775 /nfs/dbraw/zinc/38/97/75/413389775.db2.gz NPTXAOJVJUMJKH-IRXDYDNUSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCN(C)Cc1ccc(C(C)C)cc(=O)c1O ZINC000663834239 413398118 /nfs/dbraw/zinc/39/81/18/413398118.db2.gz YOFSEILBBGFCLV-UHFFFAOYSA-N 0 3 261.365 2.884 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](C)C[C@H]2C)nn1 ZINC000653620714 413407077 /nfs/dbraw/zinc/40/70/77/413407077.db2.gz VSTXWAPKKDABLE-GZBFAFLISA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCCCCN[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660599700 413421666 /nfs/dbraw/zinc/42/16/66/413421666.db2.gz LXQRCIZUFBHSND-INIZCTEOSA-N 0 3 291.439 2.960 20 30 CFEDHN CCN1CCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC000344315293 162004614 /nfs/dbraw/zinc/00/46/14/162004614.db2.gz ICYWAMWALFDKLG-OAHLLOKOSA-N 0 3 275.371 2.661 20 30 CFEDHN CN(C)c1ccccc1CNCCOc1ccc(C#N)cc1 ZINC000344596866 162075462 /nfs/dbraw/zinc/07/54/62/162075462.db2.gz BDFCDYCNLCRNON-UHFFFAOYSA-N 0 3 295.386 2.793 20 30 CFEDHN COc1ccsc1CNCCOc1ccc(C#N)cc1 ZINC000344600332 162075759 /nfs/dbraw/zinc/07/57/59/162075759.db2.gz GRMAJKLBFFBKMT-UHFFFAOYSA-N 0 3 288.372 2.797 20 30 CFEDHN CC[C@@H](C[C@@H](C)CO)NCc1ccc(C#N)cc1F ZINC000344605673 162078441 /nfs/dbraw/zinc/07/84/41/162078441.db2.gz MZQCJOUABDFICA-RISCZKNCSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)n1cc2c(n1)C[C@@H](NCc1ccc(C#N)o1)CC2 ZINC000345006863 162160456 /nfs/dbraw/zinc/16/04/56/162160456.db2.gz DHEVAHAOAMCCLI-ZDUSSCGKSA-N 0 3 284.363 2.576 20 30 CFEDHN C[C@H](NCCn1cnnc1C1CC1)c1ccc(C#N)c(F)c1 ZINC000346132070 162325927 /nfs/dbraw/zinc/32/59/27/162325927.db2.gz OMHZUVBELIERFA-NSHDSACASA-N 0 3 299.353 2.517 20 30 CFEDHN C[C@H](NC[C@]1(C)CCCO1)c1ccc(C#N)c(F)c1 ZINC000346140732 162329708 /nfs/dbraw/zinc/32/97/08/162329708.db2.gz VUFFAXUSKHCXEY-NHYWBVRUSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000346154368 162335562 /nfs/dbraw/zinc/33/55/62/162335562.db2.gz GDSMLZJTQJIZCC-BXUZGUMPSA-N 0 3 273.355 2.585 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000346201060 162348847 /nfs/dbraw/zinc/34/88/47/162348847.db2.gz XAKGKLNEDYVTNO-CABCVRRESA-N 0 3 296.418 2.725 20 30 CFEDHN CS[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352809062 163238331 /nfs/dbraw/zinc/23/83/31/163238331.db2.gz FQHRSBAXMISLLS-ONGXEEELSA-N 0 3 267.423 2.779 20 30 CFEDHN C[C@H](CCc1ccc(O)cc1)NCc1nc(C#N)cs1 ZINC000352840244 163249363 /nfs/dbraw/zinc/24/93/63/163249363.db2.gz MQUNNAFEYTUGQT-LLVKDONJSA-N 0 3 287.388 2.831 20 30 CFEDHN CCCCN1CCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352840539 163249541 /nfs/dbraw/zinc/24/95/41/163249541.db2.gz NNXOLCTYTOWGRN-AWEZNQCLSA-N 0 3 292.452 2.759 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCCC(F)(F)C2)n1 ZINC000352856134 163252925 /nfs/dbraw/zinc/25/29/25/163252925.db2.gz VOMSWRUNXSRWNH-VIFPVBQESA-N 0 3 271.336 2.930 20 30 CFEDHN CC(C)[C@@](C)(CO)NCc1ccc(Cl)cc1C#N ZINC000352895742 163264170 /nfs/dbraw/zinc/26/41/70/163264170.db2.gz WJIPNAOTISWQHX-CQSZACIVSA-N 0 3 266.772 2.708 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](COC(F)F)C2)c1 ZINC000353030733 163290531 /nfs/dbraw/zinc/29/05/31/163290531.db2.gz SWQCENRZCBDPJD-CYBMUJFWSA-N 0 3 266.291 2.619 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(CC2)C1 ZINC001085326509 782017037 /nfs/dbraw/zinc/01/70/37/782017037.db2.gz SODLDTLCACEPDV-ZIAGYGMSSA-N 0 3 296.842 2.946 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000284350389 196036485 /nfs/dbraw/zinc/03/64/85/196036485.db2.gz CTSUGSDNGXJHGB-JKSUJKDBSA-N 0 3 286.375 2.710 20 30 CFEDHN N#Cc1ccc(OCCN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284374048 196042202 /nfs/dbraw/zinc/04/22/02/196042202.db2.gz FDSOVMQYLGXOBR-IRXDYDNUSA-N 0 3 286.375 2.580 20 30 CFEDHN C=CCOCCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660665947 413484667 /nfs/dbraw/zinc/48/46/67/413484667.db2.gz WBIGVZIZKYYCLS-UHFFFAOYSA-N 0 3 296.361 2.680 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CO[C@@H](CC)C1 ZINC000657357766 413491139 /nfs/dbraw/zinc/49/11/39/413491139.db2.gz RYDCLEBUKVDSLL-GJZGRUSLSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CO[C@@H](CC)C1 ZINC000657357765 413492445 /nfs/dbraw/zinc/49/24/45/413492445.db2.gz RYDCLEBUKVDSLL-CABCVRRESA-N 0 3 261.365 2.909 20 30 CFEDHN OC[C@@H]1CCCCCN1CC#Cc1ccc(Cl)cc1 ZINC000653782203 413497253 /nfs/dbraw/zinc/49/72/53/413497253.db2.gz SJXWRHOHLKTFTK-INIZCTEOSA-N 0 3 277.795 2.928 20 30 CFEDHN C=C(C)COCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657397358 413552309 /nfs/dbraw/zinc/55/23/09/413552309.db2.gz ARWNETVHSNCZFG-KRWDZBQOSA-N 0 3 291.391 2.537 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2cccnc2OCCOC)C1 ZINC000651678526 413565567 /nfs/dbraw/zinc/56/55/67/413565567.db2.gz SXZCASPKCULGJS-GDBMZVCRSA-N 0 3 290.407 2.941 20 30 CFEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000285335299 196253935 /nfs/dbraw/zinc/25/39/35/196253935.db2.gz XRGQJLDSJYHLII-LBPRGKRZSA-N 0 3 291.420 2.500 20 30 CFEDHN C=CCCOCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657418511 413579852 /nfs/dbraw/zinc/57/98/52/413579852.db2.gz IDHUKEFOVFUGAF-QGZVFWFLSA-N 0 3 291.391 2.537 20 30 CFEDHN C=CCCn1cc(CNCC23CCC(CC2)C3)nn1 ZINC000657418253 413576864 /nfs/dbraw/zinc/57/68/64/413576864.db2.gz BVYIRWRWIGASNV-UHFFFAOYSA-N 0 3 260.385 2.524 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000664216612 413639196 /nfs/dbraw/zinc/63/91/96/413639196.db2.gz IMRLMXQXJKVYCU-OLZOCXBDSA-N 0 3 267.417 2.513 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCC[C@@H](C)N(C)C)c1 ZINC000664243436 413652361 /nfs/dbraw/zinc/65/23/61/413652361.db2.gz FTEKHXNZUPIAMP-LLVKDONJSA-N 0 3 259.353 2.513 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000660844619 413614724 /nfs/dbraw/zinc/61/47/24/413614724.db2.gz RCXGJFHXSMOIAF-FMKPAKJESA-N 0 3 291.439 2.657 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCCC1 ZINC000664368485 413716093 /nfs/dbraw/zinc/71/60/93/413716093.db2.gz SNHAVGVKGQDFAR-KGLIPLIRSA-N 0 3 291.439 2.800 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654319988 413813411 /nfs/dbraw/zinc/81/34/11/413813411.db2.gz REIORRALYLFISF-IIAWOOMASA-N 0 3 264.413 2.722 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654319989 413813793 /nfs/dbraw/zinc/81/37/93/413813793.db2.gz REIORRALYLFISF-IJEWVQPXSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nc(C2CC2)nn1C ZINC000661116547 413768277 /nfs/dbraw/zinc/76/82/77/413768277.db2.gz YVERSQXZRZTLLZ-GXTWGEPZSA-N 0 3 274.412 2.917 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)[N-]c1cc(C)no1 ZINC000661117604 413769213 /nfs/dbraw/zinc/76/92/13/413769213.db2.gz SJNFREDIUSQCRL-STQMWFEESA-N 0 3 277.368 2.646 20 30 CFEDHN C=CCOCCCNCc1cnn(-c2ccccc2C)c1 ZINC000657658847 413825490 /nfs/dbraw/zinc/82/54/90/413825490.db2.gz HCIVXZZWJJJEFS-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CCN(CCN(C)Cc1ccccc1)[C@H](C)COC ZINC000661240628 413840895 /nfs/dbraw/zinc/84/08/95/413840895.db2.gz PDVSTDNORVUJNZ-MRXNPFEDSA-N 0 3 276.424 2.641 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1)[C@@H](C)COC ZINC000661245213 413845642 /nfs/dbraw/zinc/84/56/42/413845642.db2.gz ZGGOPUYCKDQONT-AWEZNQCLSA-N 0 3 276.380 2.538 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1C)[C@H](C)COC ZINC000661242803 413846068 /nfs/dbraw/zinc/84/60/68/413846068.db2.gz UGILLQAKAGITTC-OAHLLOKOSA-N 0 3 290.407 2.847 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654580794 413916777 /nfs/dbraw/zinc/91/67/77/413916777.db2.gz GPLAFMXMLHLBHV-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(=O)n3cc(C)ccc3n2)C1 ZINC000661379485 413935908 /nfs/dbraw/zinc/93/59/08/413935908.db2.gz COJANYDXQDQJIV-HNNXBMFYSA-N 0 3 297.402 2.791 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000661378559 413939637 /nfs/dbraw/zinc/93/96/37/413939637.db2.gz IZKAZJQNUGVWSF-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(-c2scnc2C)cc1 ZINC000657792642 413939636 /nfs/dbraw/zinc/93/96/36/413939636.db2.gz CEYPIELICMDXIY-CQSZACIVSA-N 0 3 274.389 2.755 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(=O)n3cccc(C)c3n2)C1 ZINC000661379637 413940278 /nfs/dbraw/zinc/94/02/78/413940278.db2.gz FQHLYFDJGCUXRN-HNNXBMFYSA-N 0 3 297.402 2.791 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000661383828 413942832 /nfs/dbraw/zinc/94/28/32/413942832.db2.gz FLAKHZCCLHUDEV-KGLIPLIRSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000654665813 413951105 /nfs/dbraw/zinc/95/11/05/413951105.db2.gz QLCZEQPDABLSRF-CABCVRRESA-N 0 3 281.444 2.857 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000661406120 413952245 /nfs/dbraw/zinc/95/22/45/413952245.db2.gz ICRIWWQXGFKGAH-QLFBSQMISA-N 0 3 291.439 2.752 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654554299 413905123 /nfs/dbraw/zinc/90/51/23/413905123.db2.gz DZDYXCNNASJXMT-RRFJBIMHSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654554467 413906306 /nfs/dbraw/zinc/90/63/06/413906306.db2.gz DZDYXCNNASJXMT-ZNMIVQPWSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000661416764 413964912 /nfs/dbraw/zinc/96/49/12/413964912.db2.gz DDDBUXPQSMQZQQ-ZBFHGGJFSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654728897 413985074 /nfs/dbraw/zinc/98/50/74/413985074.db2.gz MXKSHHLJWKKCNE-HZPDHXFCSA-N 0 3 291.439 2.611 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000661441545 413987586 /nfs/dbraw/zinc/98/75/86/413987586.db2.gz HYTOTPOPSZWUSJ-NVXWUHKLSA-N 0 3 257.377 2.521 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000661446182 413992018 /nfs/dbraw/zinc/99/20/18/413992018.db2.gz RDJVKVDQWKQQTF-WMLDXEAASA-N 0 3 275.367 2.660 20 30 CFEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000037096154 172950649 /nfs/dbraw/zinc/95/06/49/172950649.db2.gz KZYIVQGREFJGGC-UHFFFAOYSA-N 0 3 259.353 2.617 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C#N)cc2OC)CCOC1 ZINC000285666589 196359686 /nfs/dbraw/zinc/35/96/86/196359686.db2.gz TYPBLQYKGAFTKK-MRXNPFEDSA-N 0 3 274.364 2.616 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(C(F)F)nc1 ZINC000658030963 414115766 /nfs/dbraw/zinc/11/57/66/414115766.db2.gz AKYRFYZVZLTHDH-PWSUYJOCSA-N 0 3 270.323 2.997 20 30 CFEDHN C=CCC[C@@H](C)NCc1cnc(C(F)(F)F)nc1 ZINC000658080979 414167703 /nfs/dbraw/zinc/16/77/03/414167703.db2.gz BMOXQMPVNPCMBJ-SECBINFHSA-N 0 3 259.275 2.940 20 30 CFEDHN C=CCCN[C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000658116070 414214288 /nfs/dbraw/zinc/21/42/88/414214288.db2.gz GNEDMSBJIRQEFU-NSHDSACASA-N 0 3 262.353 2.880 20 30 CFEDHN C=CCOCCCN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000658205585 414280605 /nfs/dbraw/zinc/28/06/05/414280605.db2.gz JCCHDQDEXJRLLT-LLVKDONJSA-N 0 3 284.787 2.987 20 30 CFEDHN C=CCOCCCN[C@H](C)c1ccncc1Cl ZINC000658208265 414283896 /nfs/dbraw/zinc/28/38/96/414283896.db2.gz ZGZZVRZMKJPWJR-LLVKDONJSA-N 0 3 254.761 2.978 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCN(C)C1CC1 ZINC000665389970 414317240 /nfs/dbraw/zinc/31/72/40/414317240.db2.gz SZLQXWZKBLPLNL-HOCLYGCPSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665555056 414372130 /nfs/dbraw/zinc/37/21/30/414372130.db2.gz XJNWDGHJDXYPOC-KBPBESRZSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(C)CCCC(CC)CC ZINC000662037782 414375546 /nfs/dbraw/zinc/37/55/46/414375546.db2.gz KBFKZFJGMBFQTL-CYBMUJFWSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)Nc2cccc(CN)c2)C1 ZINC000659017925 414434175 /nfs/dbraw/zinc/43/41/75/414434175.db2.gz JPIXUCGVPBICMZ-CYBMUJFWSA-N 0 3 273.380 2.965 20 30 CFEDHN CC#CCCN(CC)CCOc1ccccc1OC ZINC000662205112 414456318 /nfs/dbraw/zinc/45/63/18/414456318.db2.gz NUUFISSSIZOOEM-UHFFFAOYSA-N 0 3 261.365 2.809 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccccc1F ZINC000662080346 414399048 /nfs/dbraw/zinc/39/90/48/414399048.db2.gz KSSFLDRISRIXQE-GASCZTMLSA-N 0 3 288.366 2.625 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2ccccc21 ZINC000662080388 414399222 /nfs/dbraw/zinc/39/92/22/414399222.db2.gz PJFXINMULQSXQX-IYBDPMFKSA-N 0 3 282.387 2.759 20 30 CFEDHN C=CCCCCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000655966451 414498601 /nfs/dbraw/zinc/49/86/01/414498601.db2.gz XHJFWZXCPHZAHZ-UHFFFAOYSA-N 0 3 287.407 2.835 20 30 CFEDHN C=CCCCCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000656154519 414524487 /nfs/dbraw/zinc/52/44/87/414524487.db2.gz XCYAWWSZCZMVQC-UHFFFAOYSA-N 0 3 299.411 2.935 20 30 CFEDHN C=CCC1(NC(=O)NCc2ccc3c(c2)CNC3)CCCC1 ZINC000659533847 414532793 /nfs/dbraw/zinc/53/27/93/414532793.db2.gz SXUDQLQPJMMSOH-UHFFFAOYSA-N 0 3 299.418 2.978 20 30 CFEDHN C=CCCC1(CNC(=O)[C@H]2CCCCN2)CCCC1 ZINC000662851568 414620796 /nfs/dbraw/zinc/62/07/96/414620796.db2.gz XPGLXMHBVPPQQW-CQSZACIVSA-N 0 3 264.413 2.771 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](OC)[C@H]1CCOC1 ZINC000659824024 414571461 /nfs/dbraw/zinc/57/14/61/414571461.db2.gz YCJPJSVCLFIPEG-IRXDYDNUSA-N 0 3 275.392 2.726 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000662631494 414582234 /nfs/dbraw/zinc/58/22/34/414582234.db2.gz UUWAGJULFJLUAF-HOCLYGCPSA-N 0 3 272.392 2.891 20 30 CFEDHN C=CCCC(C)(C)NC(=O)C[C@@H](N)Cc1ccccc1 ZINC000662954177 414637456 /nfs/dbraw/zinc/63/74/56/414637456.db2.gz SQJMMBBVKODNPO-HNNXBMFYSA-N 0 3 274.408 2.808 20 30 CFEDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1cccc(C#N)c1 ZINC000286301309 196558832 /nfs/dbraw/zinc/55/88/32/196558832.db2.gz VROGPLVPEJHMCH-UKRRQHHQSA-N 0 3 271.364 2.665 20 30 CFEDHN Cc1ccc(C#N)c(N[C@H](C)CN2CCCCC2)n1 ZINC000044419596 175173945 /nfs/dbraw/zinc/17/39/45/175173945.db2.gz PTGROONIOYZWFK-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN N#CCCCCNCc1nccn1Cc1ccccc1 ZINC000344266923 225010763 /nfs/dbraw/zinc/01/07/63/225010763.db2.gz WIDWTWZFFJRSOW-UHFFFAOYSA-N 0 3 268.364 2.715 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000347116369 226029886 /nfs/dbraw/zinc/02/98/86/226029886.db2.gz RWEGJHQXSBSBKW-UHIISALHSA-N 0 3 292.766 2.788 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC000347035810 226022107 /nfs/dbraw/zinc/02/21/07/226022107.db2.gz LIIVWANTJRPXLQ-VHSXEESVSA-N 0 3 273.361 2.503 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000347757755 226378191 /nfs/dbraw/zinc/37/81/91/226378191.db2.gz RVGPKGBLSNHEDZ-LBPRGKRZSA-N 0 3 265.316 2.524 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000347952708 226395069 /nfs/dbraw/zinc/39/50/69/226395069.db2.gz CUTJHFBIIHKPAJ-GFCCVEGCSA-N 0 3 284.315 2.674 20 30 CFEDHN Cc1c([C@H](C)NCc2ccc(CC#N)cc2)cnn1C ZINC000348197972 226430290 /nfs/dbraw/zinc/43/02/90/226430290.db2.gz IHKYYBYDQNXAOF-LBPRGKRZSA-N 0 3 268.364 2.645 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC000171715950 335075666 /nfs/dbraw/zinc/07/56/66/335075666.db2.gz RXAXYHTXHKEPJU-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN N#CC1(CN2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000352698698 227165662 /nfs/dbraw/zinc/16/56/62/227165662.db2.gz WQYYDXXMHSRPMG-ZACQAIPSSA-N 0 3 282.387 2.795 20 30 CFEDHN O=C(NC1CCN(Cc2cccc3c[nH]nc32)CC1)C1CC1 ZINC000329007373 227256010 /nfs/dbraw/zinc/25/60/10/227256010.db2.gz NJGOTICAQNNCHG-UHFFFAOYSA-N 0 3 298.390 2.894 20 30 CFEDHN COc1cnc(NC(=O)C2CCN(C3CC3)CC2)s1 ZINC000329008180 227256085 /nfs/dbraw/zinc/25/60/85/227256085.db2.gz NQGDPAVGVGEBQD-UHFFFAOYSA-N 0 3 281.381 2.614 20 30 CFEDHN O=C(CCc1nc2ccccc2o1)N[C@@H]1CCN(C2CC2)C1 ZINC000329209706 227354313 /nfs/dbraw/zinc/35/43/13/227354313.db2.gz YNVUNFYTFTVLJA-GFCCVEGCSA-N 0 3 299.374 2.954 20 30 CFEDHN O=C(NC[C@@H]1CC[C@H](O)C1)[C@@H]1CCCN1C1CCCC1 ZINC000330013461 228016629 /nfs/dbraw/zinc/01/66/29/228016629.db2.gz MEJGJHOMERZLJS-SNPRPXQTSA-N 0 3 280.412 2.511 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)s1)CC(C)C ZINC000418102101 228043819 /nfs/dbraw/zinc/04/38/19/228043819.db2.gz RILHAQBQHSRVAC-LLVKDONJSA-N 0 3 252.383 2.770 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)cc1F ZINC000330227253 228073100 /nfs/dbraw/zinc/07/31/00/228073100.db2.gz PDDBCEWADZYWDZ-GDBMZVCRSA-N 0 3 292.354 2.879 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(F)c1 ZINC000330259848 228084053 /nfs/dbraw/zinc/08/40/53/228084053.db2.gz NTVVPZBKSRJQKO-VQISRLSMSA-N 0 3 292.354 2.959 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]cc1C ZINC001085421371 782036152 /nfs/dbraw/zinc/03/61/52/782036152.db2.gz AXTXBNNKWHWGSX-ZIAGYGMSSA-N 0 3 295.814 2.706 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000187499325 260038966 /nfs/dbraw/zinc/03/89/66/260038966.db2.gz ZUXNXWRAKHCJQH-IRXDYDNUSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCNC(=O)CN(CC)C[C@H](CC)c1ccccc1 ZINC000186623151 260108210 /nfs/dbraw/zinc/10/82/10/260108210.db2.gz VABJTDGUKCYPFC-HNNXBMFYSA-N 0 3 274.408 2.804 20 30 CFEDHN C=CCCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000312556590 260148366 /nfs/dbraw/zinc/14/83/66/260148366.db2.gz XVSLITDFCTVCNW-AWEZNQCLSA-N 0 3 297.395 2.990 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000407993082 260156067 /nfs/dbraw/zinc/15/60/67/260156067.db2.gz KQCSBQWRSWGLPW-MGPQQGTHSA-N 0 3 278.396 2.732 20 30 CFEDHN CCCN(CCCC#N)C[C@H]1COc2ccccc2O1 ZINC000052922946 260212695 /nfs/dbraw/zinc/21/26/95/260212695.db2.gz BSTIOODMSIQZBZ-AWEZNQCLSA-N 0 3 274.364 2.842 20 30 CFEDHN C=CCN1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000363441423 260260158 /nfs/dbraw/zinc/26/01/58/260260158.db2.gz JFPKRKBMPKYCIU-UHFFFAOYSA-N 0 3 258.365 2.547 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000313491207 260298508 /nfs/dbraw/zinc/29/85/08/260298508.db2.gz XWZFUZFOTABNGS-LLVKDONJSA-N 0 3 260.337 2.634 20 30 CFEDHN COc1ccc2c(c1)CN(CCCSCC#N)CC2 ZINC000080627516 260317294 /nfs/dbraw/zinc/31/72/94/260317294.db2.gz XUJFDOFEIIHPQV-UHFFFAOYSA-N 0 3 276.405 2.700 20 30 CFEDHN C[C@@H]1C[C@@H](NCC2(C#N)CC2)CN(Cc2ccccc2)C1 ZINC000518053156 260339065 /nfs/dbraw/zinc/33/90/65/260339065.db2.gz SFJJYYVBOOSLQD-NVXWUHKLSA-N 0 3 283.419 2.790 20 30 CFEDHN C=CCOCCNCc1c[nH]nc1-c1ccc(C)cc1 ZINC000360635690 261086000 /nfs/dbraw/zinc/08/60/00/261086000.db2.gz GWVDKZHIMIJGIH-UHFFFAOYSA-N 0 3 271.364 2.677 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCCc2c(O)cccc21 ZINC000360995255 261143452 /nfs/dbraw/zinc/14/34/52/261143452.db2.gz IAZRCUZEFZEUSN-OAHLLOKOSA-N 0 3 261.365 2.952 20 30 CFEDHN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000174024805 261176368 /nfs/dbraw/zinc/17/63/68/261176368.db2.gz LKTZNZLSLPKWLC-LBPRGKRZSA-N 0 3 298.390 2.790 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@H]2CCCC[C@@H]2C)CC1 ZINC000490670493 261180770 /nfs/dbraw/zinc/18/07/70/261180770.db2.gz MROPQCSXEUGBCO-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN CC(C)[C@H](O)C1(CNC2CC(C#N)(c3ccccc3)C2)CC1 ZINC000368425914 261247054 /nfs/dbraw/zinc/24/70/54/261247054.db2.gz SPZGGDAMGHCAQT-HFCFLWKCSA-N 0 3 298.430 2.997 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000249416831 261252627 /nfs/dbraw/zinc/25/26/27/261252627.db2.gz WJNWLLZWOXUWMZ-BFYDXBDKSA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)N1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177019921 261325964 /nfs/dbraw/zinc/32/59/64/261325964.db2.gz XBOYXKUUXJMMNP-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN C#C[C@@H](NC(=O)CN(C)C(C)C)c1ccc(Cl)cc1F ZINC000491182264 261363240 /nfs/dbraw/zinc/36/32/40/261363240.db2.gz ZJBVAMGKGDXKAE-CQSZACIVSA-N 0 3 296.773 2.610 20 30 CFEDHN C#CCN(CC)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000491264515 261393130 /nfs/dbraw/zinc/39/31/30/261393130.db2.gz GXHISPUVGRKIFH-UHFFFAOYSA-N 0 3 284.403 2.768 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1ccc(Br)cc1)C(C)C ZINC000491385764 261522809 /nfs/dbraw/zinc/52/28/09/261522809.db2.gz SEFWSLBCEZYSHB-KGLIPLIRSA-N 0 3 296.208 2.730 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(-n2cccn2)cc1 ZINC000180851993 261876595 /nfs/dbraw/zinc/87/65/95/261876595.db2.gz JDRFYBOXLBHKIK-ZDUSSCGKSA-N 0 3 254.337 2.827 20 30 CFEDHN Cc1ccnc(C2CCN(CCCSCC#N)CC2)n1 ZINC000363806544 261912369 /nfs/dbraw/zinc/91/23/69/261912369.db2.gz QMUDZYBRZASIID-UHFFFAOYSA-N 0 3 290.436 2.611 20 30 CFEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1cc2ccccc2o1 ZINC000182637683 261946421 /nfs/dbraw/zinc/94/64/21/261946421.db2.gz UKNONYDVYSHYNU-ZDUSSCGKSA-N 0 3 299.374 2.846 20 30 CFEDHN C#CCN(CC/C=C\c1cncc(OC)c1)C1CC1 ZINC000491734646 261960776 /nfs/dbraw/zinc/96/07/76/261960776.db2.gz LQHWZGCWVKFXMT-XQRVVYSFSA-N 0 3 256.349 2.591 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@]2(C1)CCCOC2 ZINC000367437331 262028191 /nfs/dbraw/zinc/02/81/91/262028191.db2.gz INIBGGRUQZYMGP-SFHVURJKSA-N 0 3 285.387 2.701 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185712536 262067927 /nfs/dbraw/zinc/06/79/27/262067927.db2.gz SFUBPZVUBMYWHR-BPUTZDHNSA-N 0 3 258.365 2.700 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(c2)OCCO3)C1 ZINC000185758358 262069034 /nfs/dbraw/zinc/06/90/34/262069034.db2.gz VMHBYAKPBWQRNJ-OCCSQVGLSA-N 0 3 272.348 2.630 20 30 CFEDHN CC(=O)Nc1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185778391 262069604 /nfs/dbraw/zinc/06/96/04/262069604.db2.gz XZYFVNVLENDLET-ZFWWWQNUSA-N 0 3 271.364 2.817 20 30 CFEDHN C#CCN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000364247424 262190451 /nfs/dbraw/zinc/19/04/51/262190451.db2.gz WZEYIBQOQHSGBD-OAHLLOKOSA-N 0 3 265.360 2.889 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cccc3c2OCO3)C1 ZINC000192713147 262209602 /nfs/dbraw/zinc/20/96/02/262209602.db2.gz XEKLPNSINMAUIK-YPMHNXCESA-N 0 3 258.321 2.587 20 30 CFEDHN C=CC1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000111257386 262258465 /nfs/dbraw/zinc/25/84/65/262258465.db2.gz ANCYBDXKKWYYGG-UHFFFAOYSA-N 0 3 259.349 2.871 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000111259566 262258661 /nfs/dbraw/zinc/25/86/61/262258661.db2.gz YYEUSVNDNVWPRY-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000111259433 262258803 /nfs/dbraw/zinc/25/88/03/262258803.db2.gz LVJARPMJYJXVID-CYBMUJFWSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000111259759 262258901 /nfs/dbraw/zinc/25/89/01/262258901.db2.gz GZRQNERGRQGMSL-OAHLLOKOSA-N 0 3 286.419 2.932 20 30 CFEDHN C=CC1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000111259430 262258938 /nfs/dbraw/zinc/25/89/38/262258938.db2.gz LVJARPMJYJXVID-ZDUSSCGKSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000111260382 262259085 /nfs/dbraw/zinc/25/90/85/262259085.db2.gz VNDQRIODANISNM-SOUVJXGZSA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000364845351 262262291 /nfs/dbraw/zinc/26/22/91/262262291.db2.gz WDOZZDNSQNRFEZ-IUODEOHRSA-N 0 3 279.815 2.634 20 30 CFEDHN C=C(Cl)CN[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000364845354 262262575 /nfs/dbraw/zinc/26/25/75/262262575.db2.gz WDOZZDNSQNRFEZ-WFASDCNBSA-N 0 3 279.815 2.634 20 30 CFEDHN Cc1csc([C@H](C)NCCCSCC#N)n1 ZINC000184145701 262271634 /nfs/dbraw/zinc/27/16/34/262271634.db2.gz OZZXRKGNLSZQJX-JTQLQIEISA-N 0 3 255.412 2.749 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C)c(Br)c1 ZINC000184281594 262276424 /nfs/dbraw/zinc/27/64/24/262276424.db2.gz LXAKRAGVCTVDAH-GFCCVEGCSA-N 0 3 284.197 2.784 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCC1 ZINC000365159634 262281381 /nfs/dbraw/zinc/28/13/81/262281381.db2.gz ZSRWIYZWFWKMBX-HNNXBMFYSA-N 0 3 276.424 2.820 20 30 CFEDHN C#CCCCC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000372998885 262281502 /nfs/dbraw/zinc/28/15/02/262281502.db2.gz QYUDKKCUIXEQTF-UHFFFAOYSA-N 0 3 299.418 2.560 20 30 CFEDHN C[C@H](CCCCNC(=O)OC(C)(C)C)NCCC#N ZINC000390813276 262348544 /nfs/dbraw/zinc/34/85/44/262348544.db2.gz ZJEVMKFCPZMMGL-GFCCVEGCSA-N 0 3 269.389 2.573 20 30 CFEDHN COC[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000365266585 262356566 /nfs/dbraw/zinc/35/65/66/262356566.db2.gz XAYIECOZURYUII-QGZVFWFLSA-N 0 3 257.377 2.787 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373488395 262370078 /nfs/dbraw/zinc/37/00/78/262370078.db2.gz ZLLSMYQWYOMXME-QZTJIDSGSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC(C)C)C(C)C ZINC000337449888 262452253 /nfs/dbraw/zinc/45/22/53/262452253.db2.gz SJGCRLQCRIGSLT-HNNXBMFYSA-N 0 3 281.444 2.640 20 30 CFEDHN CN(CCC(C)(C)C#N)[C@H](CCO)c1ccccc1 ZINC000271984991 263000958 /nfs/dbraw/zinc/00/09/58/263000958.db2.gz CKCQUZQUVYNGQP-OAHLLOKOSA-N 0 3 260.381 2.982 20 30 CFEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(-n2cncn2)cc1 ZINC000272044160 263001684 /nfs/dbraw/zinc/00/16/84/263001684.db2.gz RSWJSDBGCMCIRY-CYBMUJFWSA-N 0 3 283.379 2.858 20 30 CFEDHN C[C@H](NCCC(C)(C)C#N)c1ccc2c(c1)CC(=O)N2C ZINC000272061481 263002017 /nfs/dbraw/zinc/00/20/17/263002017.db2.gz WUOWNUKNPSQUJE-LBPRGKRZSA-N 0 3 285.391 2.796 20 30 CFEDHN CC1(C#N)CCN(CCc2nc(-c3ccccc3)no2)CC1 ZINC000272535978 263005972 /nfs/dbraw/zinc/00/59/72/263005972.db2.gz IZRYCCMWANEMKY-UHFFFAOYSA-N 0 3 296.374 2.905 20 30 CFEDHN C[S@](=O)C[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000273391762 263016508 /nfs/dbraw/zinc/01/65/08/263016508.db2.gz NSHZQHASPHUNNT-LIRRHRJNSA-N 0 3 278.421 2.636 20 30 CFEDHN COc1ccc(OC)c(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000274250514 263022418 /nfs/dbraw/zinc/02/24/18/263022418.db2.gz YQBIQEOQNDTJEY-GXTWGEPZSA-N 0 3 274.364 2.876 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(-n2cncn2)cc1 ZINC000274618387 263027956 /nfs/dbraw/zinc/02/79/56/263027956.db2.gz LSJXHOVJEZUMRA-YDHLFZDLSA-N 0 3 281.363 2.610 20 30 CFEDHN C=C(C)CCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000274785882 263030232 /nfs/dbraw/zinc/03/02/32/263030232.db2.gz MFQXCEKXGRXFSC-KRWDZBQOSA-N 0 3 269.392 2.835 20 30 CFEDHN CCN(C[C@H]1COc2ccccc2O1)[C@@H](C)CCC#N ZINC000276340079 263036446 /nfs/dbraw/zinc/03/64/46/263036446.db2.gz TUCHYXQIVUKPOM-KBPBESRZSA-N 0 3 274.364 2.841 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCCOc2ccccc2F)C1 ZINC000278151553 263045653 /nfs/dbraw/zinc/04/56/53/263045653.db2.gz ACWHRZNDDPSMIR-CHWSQXEVSA-N 0 3 262.328 2.876 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)[C@@H](O)c1cccc(F)c1 ZINC000278377324 263047590 /nfs/dbraw/zinc/04/75/90/263047590.db2.gz CUUMYIKIOMOTSD-YXAMBPQSSA-N 0 3 276.355 2.920 20 30 CFEDHN CN(CCCNC(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000278488421 263048441 /nfs/dbraw/zinc/04/84/41/263048441.db2.gz LCJJLRMCSSBHLY-UHFFFAOYSA-N 0 3 287.407 2.565 20 30 CFEDHN Cc1ccccc1OCCN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000278672361 263049758 /nfs/dbraw/zinc/04/97/58/263049758.db2.gz RBPWDSDRQVGPCS-LSDHHAIUSA-N 0 3 258.365 2.998 20 30 CFEDHN CN(CC1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279531308 263055751 /nfs/dbraw/zinc/05/57/51/263055751.db2.gz MOEQKTRGVDPJKU-KRWDZBQOSA-N 0 3 295.386 2.889 20 30 CFEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000279936880 263058345 /nfs/dbraw/zinc/05/83/45/263058345.db2.gz GBYKVVXHNRKPTP-MRXNPFEDSA-N 0 3 295.386 2.937 20 30 CFEDHN CC(C)C[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280230246 263059738 /nfs/dbraw/zinc/05/97/38/263059738.db2.gz WAWBIZMHFWLYIB-XJKSGUPXSA-N 0 3 283.375 2.791 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C1CC1 ZINC000280385383 263061013 /nfs/dbraw/zinc/06/10/13/263061013.db2.gz WKRMROZDYSUUQB-CYBMUJFWSA-N 0 3 299.418 2.700 20 30 CFEDHN C=CCC[C@H](NC1CCN(C(C)=O)CC1)c1ccco1 ZINC000353453612 263069894 /nfs/dbraw/zinc/06/98/94/263069894.db2.gz FNVABGRETQJPHS-HNNXBMFYSA-N 0 3 276.380 2.887 20 30 CFEDHN COC(=O)c1cc(CNCC2CCC(C#N)CC2)oc1C ZINC000282146281 263074718 /nfs/dbraw/zinc/07/47/18/263074718.db2.gz CKRHGPYBQONPMR-UHFFFAOYSA-N 0 3 290.363 2.794 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000340196402 263090132 /nfs/dbraw/zinc/09/01/32/263090132.db2.gz DLQNYEGHTHYNRR-AWEZNQCLSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@](C)(C#N)CC)C(C)C ZINC000285417770 263092642 /nfs/dbraw/zinc/09/26/42/263092642.db2.gz DMQROYIXPQCUIW-NVXWUHKLSA-N 0 3 291.439 2.741 20 30 CFEDHN COc1ccc([C@@H](C)NCCCC#N)c(C)c1OC ZINC000285942537 263096679 /nfs/dbraw/zinc/09/66/79/263096679.db2.gz DNJQHRSBMQIWJV-GFCCVEGCSA-N 0 3 262.353 2.967 20 30 CFEDHN COc1cccc(C[NH2+]CC(C)(C)CCC#N)c1[O-] ZINC000288551998 263104771 /nfs/dbraw/zinc/10/47/71/263104771.db2.gz XVXCQWISOICHFZ-UHFFFAOYSA-N 0 3 262.353 2.820 20 30 CFEDHN CO[C@@H](C)CN(C)Cc1ccc(N(C)CCC#N)cc1 ZINC000289199560 263108146 /nfs/dbraw/zinc/10/81/46/263108146.db2.gz BIEQDQOHQJVCJO-AWEZNQCLSA-N 0 3 275.396 2.503 20 30 CFEDHN CN1CCC(N(Cc2ccccc2)C(=O)CCCC#N)CC1 ZINC000292332682 263131076 /nfs/dbraw/zinc/13/10/76/263131076.db2.gz OIZQLQOMNBCWOK-UHFFFAOYSA-N 0 3 299.418 2.803 20 30 CFEDHN CC(C)(CNC(=O)CCCC#N)N1CCc2ccccc2C1 ZINC000292342230 263131408 /nfs/dbraw/zinc/13/14/08/263131408.db2.gz BKNCKMKTBSKZNW-UHFFFAOYSA-N 0 3 299.418 2.633 20 30 CFEDHN N#CCCOCCN(CCc1cccc(F)c1)C1CC1 ZINC000293241011 263138873 /nfs/dbraw/zinc/13/88/73/263138873.db2.gz WMPJBVMVFIDPMH-UHFFFAOYSA-N 0 3 276.355 2.763 20 30 CFEDHN CC1(C)CN(CCOCCC#N)Cc2ccccc2O1 ZINC000293498137 263141844 /nfs/dbraw/zinc/14/18/44/263141844.db2.gz HAKZQEVVEMRTCD-UHFFFAOYSA-N 0 3 274.364 2.590 20 30 CFEDHN Cc1cccc([C@H]2CCN(CCOCCC#N)C2)c1 ZINC000294724365 263166774 /nfs/dbraw/zinc/16/67/74/263166774.db2.gz VULSKJMMRVFWQU-INIZCTEOSA-N 0 3 258.365 2.715 20 30 CFEDHN C=CCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340504122 263174567 /nfs/dbraw/zinc/17/45/67/263174567.db2.gz CWMLRSDJXUQMMB-CQSZACIVSA-N 0 3 260.316 2.589 20 30 CFEDHN C[C@@]1(F)CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000295413825 263177142 /nfs/dbraw/zinc/17/71/42/263177142.db2.gz CEKQQXIFKFIXNI-DOTOQJQBSA-N 0 3 299.349 2.591 20 30 CFEDHN CN(C)[C@@H](CNC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000299138727 263231581 /nfs/dbraw/zinc/23/15/81/263231581.db2.gz RIXUMOWLEVBKJY-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120782312 263288645 /nfs/dbraw/zinc/28/86/45/263288645.db2.gz WSWPJPCOGHUDJL-UHFFFAOYSA-N 0 3 253.292 2.994 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccc(Br)cc1 ZINC000121209907 263291592 /nfs/dbraw/zinc/29/15/92/263291592.db2.gz ULAKHAZPAFFSKA-UHFFFAOYSA-N 0 3 297.196 2.896 20 30 CFEDHN C=CCN(C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000121310382 263292750 /nfs/dbraw/zinc/29/27/50/263292750.db2.gz CAZNIMRVHPWEKL-INIZCTEOSA-N 0 3 272.392 2.688 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CC2CCC2)CC1 ZINC000425294586 263302307 /nfs/dbraw/zinc/30/23/07/263302307.db2.gz DKVFABMWJIVSEJ-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(C)nn(C(C)(C)C)c1C ZINC000341279847 263330135 /nfs/dbraw/zinc/33/01/35/263330135.db2.gz SSXQHMLKUHCYAL-CQSZACIVSA-N 0 3 279.428 2.529 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000341427053 263337171 /nfs/dbraw/zinc/33/71/71/263337171.db2.gz FALZZQMSSPPHJO-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cc(OC)ccc1OC ZINC000341871377 263360548 /nfs/dbraw/zinc/36/05/48/263360548.db2.gz DHQMFLCWNAFQQJ-CHWSQXEVSA-N 0 3 279.380 2.539 20 30 CFEDHN C=CC[C@H](CO)CN[C@H]1CCc2c1c(F)ccc2F ZINC000341883977 263363113 /nfs/dbraw/zinc/36/31/13/263363113.db2.gz JNFWDFFAMYSQAS-HZMBPMFUSA-N 0 3 267.319 2.726 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(C)ccc1OC ZINC000341891007 263364211 /nfs/dbraw/zinc/36/42/11/263364211.db2.gz UPFWWIMEGVBJPC-UONOGXRCSA-N 0 3 263.381 2.839 20 30 CFEDHN COCC1(C#N)CCN(CCCCC2CCOCC2)CC1 ZINC000341974216 263372403 /nfs/dbraw/zinc/37/24/03/263372403.db2.gz HTBABZMQAUJVMK-UHFFFAOYSA-N 0 3 294.439 2.835 20 30 CFEDHN CC(C)C[C@@H]1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000342123593 263389801 /nfs/dbraw/zinc/38/98/01/263389801.db2.gz WZKVPJOYHYSTHB-YQQAZPJKSA-N 0 3 293.455 2.797 20 30 CFEDHN COCCOCc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000342135816 263390840 /nfs/dbraw/zinc/39/08/40/263390840.db2.gz LMDYVVSHKLZIGL-IRXDYDNUSA-N 0 3 288.391 2.631 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000330708930 264019945 /nfs/dbraw/zinc/01/99/45/264019945.db2.gz VWUSKNXGOWZQDI-INIZCTEOSA-N 0 3 285.391 2.932 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000330889787 264064413 /nfs/dbraw/zinc/06/44/13/264064413.db2.gz VMJVQBOJASLGEL-ZDUSSCGKSA-N 0 3 279.428 2.695 20 30 CFEDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(CC#N)cc1 ZINC000330899070 264079121 /nfs/dbraw/zinc/07/91/21/264079121.db2.gz ITFKMGBJOFCZBQ-STQMWFEESA-N 0 3 271.364 2.564 20 30 CFEDHN CCCn1nc(C)c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1C ZINC000330958962 264088270 /nfs/dbraw/zinc/08/82/70/264088270.db2.gz ASLNXPABYLSWAP-BXUZGUMPSA-N 0 3 292.427 2.697 20 30 CFEDHN CCc1noc(C)c1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330972054 264092423 /nfs/dbraw/zinc/09/24/23/264092423.db2.gz MWTPJXSBKFOTOX-UHFFFAOYSA-N 0 3 293.411 2.972 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CCCN2CC)c1C ZINC000331064485 264111395 /nfs/dbraw/zinc/11/13/95/264111395.db2.gz FAPFGCINEHYPLV-JSGCOSHPSA-N 0 3 292.427 2.951 20 30 CFEDHN C=CCn1cc(CNCC(CC)(CC)CC)nn1 ZINC000425357840 264132250 /nfs/dbraw/zinc/13/22/50/264132250.db2.gz SPWQSYUAHHJLCM-UHFFFAOYSA-N 0 3 250.390 2.770 20 30 CFEDHN C[C@@H](CNC(=O)Nc1ncc(C(C)(C)C)s1)N(C)C ZINC000331195842 264158681 /nfs/dbraw/zinc/15/86/81/264158681.db2.gz YWGZJNCEJQWUSR-VIFPVBQESA-N 0 3 284.429 2.717 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)C[C@@H]1CCCOC1 ZINC000160094454 264223616 /nfs/dbraw/zinc/22/36/16/264223616.db2.gz VQEGAQFGMAOMRZ-HNNXBMFYSA-N 0 3 261.340 2.536 20 30 CFEDHN CC(C)(C)C[C@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000126997228 264245824 /nfs/dbraw/zinc/24/58/24/264245824.db2.gz WOMBUUBBLOIAEA-PBHICJAKSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000424952577 264388824 /nfs/dbraw/zinc/38/88/24/264388824.db2.gz XJKKPEVUNPDTGD-ZYHUDNBSSA-N 0 3 284.281 2.826 20 30 CFEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C(F)(F)F ZINC000424957732 264390420 /nfs/dbraw/zinc/39/04/20/264390420.db2.gz XJKKPEVUNPDTGD-CMPLNLGQSA-N 0 3 284.281 2.826 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000345754241 265096608 /nfs/dbraw/zinc/09/66/08/265096608.db2.gz DMGGOVLSWZXNOQ-NSHDSACASA-N 0 3 299.305 2.789 20 30 CFEDHN N#Cc1csc(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000093492618 265183438 /nfs/dbraw/zinc/18/34/38/265183438.db2.gz WRIJELKRSYRTSU-UHFFFAOYSA-N 0 3 287.344 2.860 20 30 CFEDHN CC[C@@H](NCc1ccc(CC#N)cc1)c1cnn(C)c1 ZINC000518978322 265270997 /nfs/dbraw/zinc/27/09/97/265270997.db2.gz LZWWJEIHOLMJBU-MRXNPFEDSA-N 0 3 268.364 2.727 20 30 CFEDHN COCC1(NCc2cc(C#N)cs2)CCCC1 ZINC000519182964 265359973 /nfs/dbraw/zinc/35/99/73/265359973.db2.gz FDAQFRYMWLAZHG-UHFFFAOYSA-N 0 3 250.367 2.669 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(Cl)cc1F ZINC000320947999 266024428 /nfs/dbraw/zinc/02/44/28/266024428.db2.gz GKYRFLIXGJQWDQ-LBPRGKRZSA-N 0 3 257.736 2.896 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](CO)CC2)cc1 ZINC000354705910 266045299 /nfs/dbraw/zinc/04/52/99/266045299.db2.gz XTYQQKUOGRWDEZ-INIZCTEOSA-N 0 3 275.392 2.846 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)CCCN1C ZINC000356737081 266167368 /nfs/dbraw/zinc/16/73/68/266167368.db2.gz LJHIWOFQWZWXGA-OIISXLGYSA-N 0 3 299.418 2.673 20 30 CFEDHN CC(C#N)C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000356944559 266215365 /nfs/dbraw/zinc/21/53/65/266215365.db2.gz DNCATOHLFYSMHY-PWSUYJOCSA-N 0 3 284.281 2.683 20 30 CFEDHN C=CCCC1(C(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000357155650 266255827 /nfs/dbraw/zinc/25/58/27/266255827.db2.gz XDYLGLIFFWCJFC-UHFFFAOYSA-N 0 3 278.440 2.971 20 30 CFEDHN C=CCOc1cccc(CN[C@@]2(C)CCCOC2)c1 ZINC000357352700 266281252 /nfs/dbraw/zinc/28/12/52/266281252.db2.gz LAQVIASRRFHCBG-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCc2ccccc2C1 ZINC000114488588 266300634 /nfs/dbraw/zinc/30/06/34/266300634.db2.gz WRXXHEOTUSRBAB-GOSISDBHSA-N 0 3 298.430 2.676 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000357523034 266315488 /nfs/dbraw/zinc/31/54/88/266315488.db2.gz RXZTWCQZRZOGMS-HZSPNIEDSA-N 0 3 293.411 2.973 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN(CC=C)C1CC1 ZINC000357556459 266324066 /nfs/dbraw/zinc/32/40/66/266324066.db2.gz UQSOCFBXVZMKML-KRWDZBQOSA-N 0 3 287.403 2.805 20 30 CFEDHN COc1ccccc1C1(CNC(=O)C(C)C#N)CCCC1 ZINC000357803791 266367249 /nfs/dbraw/zinc/36/72/49/266367249.db2.gz WFRKXMWNVGXJBT-CYBMUJFWSA-N 0 3 286.375 2.783 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1OC ZINC000357811928 266370731 /nfs/dbraw/zinc/37/07/31/266370731.db2.gz YKLCSYFVGFKBKX-AAEUAGOBSA-N 0 3 288.347 2.527 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H]1c1ccc(Br)s1 ZINC000357920508 266386167 /nfs/dbraw/zinc/38/61/67/266386167.db2.gz LNIDXAMGSJGDNW-PRJMDXOYSA-N 0 3 299.193 2.642 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000358146139 266429147 /nfs/dbraw/zinc/42/91/47/266429147.db2.gz GXJAJEPEIZSZBP-MPKXVKKWSA-N 0 3 260.312 2.738 20 30 CFEDHN C=C[C@H](C)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000362614482 267022693 /nfs/dbraw/zinc/02/26/93/267022693.db2.gz PFQPAKXGFJBRHX-ZDUSSCGKSA-N 0 3 272.392 2.975 20 30 CFEDHN C[C@@H]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000358023396 267029065 /nfs/dbraw/zinc/02/90/65/267029065.db2.gz VXVCVHWLTDBUMQ-XOKHGSTOSA-N 0 3 295.386 2.793 20 30 CFEDHN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000362655023 267030249 /nfs/dbraw/zinc/03/02/49/267030249.db2.gz HTGUBMKMLHLLDN-CJNGLKHVSA-N 0 3 289.423 2.725 20 30 CFEDHN CCCCCCCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363124982 267075386 /nfs/dbraw/zinc/07/53/86/267075386.db2.gz GBBCTTQTHKXBEU-HOTGVXAUSA-N 0 3 296.455 2.716 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000368018248 267134737 /nfs/dbraw/zinc/13/47/37/267134737.db2.gz JEYVMAATSABICL-GOSISDBHSA-N 0 3 296.414 2.645 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)[C@H]1SC ZINC000459568448 267149909 /nfs/dbraw/zinc/14/99/09/267149909.db2.gz ZZCJJEKFRDUUIO-RBSFLKMASA-N 0 3 294.395 2.696 20 30 CFEDHN CCCCCCCCN1CC[C@H](CS(C)(=O)=O)C1 ZINC000368348848 267165049 /nfs/dbraw/zinc/16/50/49/267165049.db2.gz OHGTXWQDAOIBPL-AWEZNQCLSA-N 0 3 275.458 2.713 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368590917 267188637 /nfs/dbraw/zinc/18/86/37/267188637.db2.gz LNPVYBNBWRYNMX-GJZGRUSLSA-N 0 3 266.429 2.900 20 30 CFEDHN C=CC[C@H](C)N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000116907725 267193794 /nfs/dbraw/zinc/19/37/94/267193794.db2.gz CGGOGPBQIBANNY-JOYOIKCWSA-N 0 3 297.196 2.530 20 30 CFEDHN C[C@H]1CN(CC(C)(C)CCC#N)CC2(CCOCC2)O1 ZINC000369282812 267230754 /nfs/dbraw/zinc/23/07/54/267230754.db2.gz JIJKWWGGCBEWAZ-AWEZNQCLSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCC1 ZINC000370231990 267301687 /nfs/dbraw/zinc/30/16/87/267301687.db2.gz VDERKAGWYDTBFB-CQSZACIVSA-N 0 3 276.424 2.866 20 30 CFEDHN CCCCCCCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000370487506 267322423 /nfs/dbraw/zinc/32/24/23/267322423.db2.gz LEBIPIFSTSEYFO-INIZCTEOSA-N 0 3 296.455 2.716 20 30 CFEDHN OC[C@@H]1CCc2ccccc2[C@@H]1NCC#Cc1ccccc1 ZINC000370519243 267326457 /nfs/dbraw/zinc/32/64/57/267326457.db2.gz VRRVJPVZVPYUSX-AZUAARDMSA-N 0 3 291.394 2.924 20 30 CFEDHN N#CC1(CN[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCC1 ZINC000418145402 267366715 /nfs/dbraw/zinc/36/67/15/267366715.db2.gz XWORUXVDAIBBCA-QLFBSQMISA-N 0 3 262.397 2.865 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418153667 267371581 /nfs/dbraw/zinc/37/15/81/267371581.db2.gz WPQMTUGVYORRBT-GDBMZVCRSA-N 0 3 287.407 2.527 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000305802154 268001109 /nfs/dbraw/zinc/00/11/09/268001109.db2.gz IFSXIWWRMREDBX-CYBMUJFWSA-N 0 3 269.772 2.588 20 30 CFEDHN N#CCSCCCN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000376615503 268001176 /nfs/dbraw/zinc/00/11/76/268001176.db2.gz QDFLTWXOGHJMGW-OAHLLOKOSA-N 0 3 294.395 2.926 20 30 CFEDHN CC(C)(C#N)CC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000376868946 268026598 /nfs/dbraw/zinc/02/65/98/268026598.db2.gz CFJKZZJDMNQAJO-INIZCTEOSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000377242872 268059151 /nfs/dbraw/zinc/05/91/51/268059151.db2.gz UBAUUCKLLCTCSQ-CLLJXQQHSA-N 0 3 266.385 2.693 20 30 CFEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000519037883 268134812 /nfs/dbraw/zinc/13/48/12/268134812.db2.gz OVYWTPORSQHBDG-DLBZAZTESA-N 0 3 292.386 2.946 20 30 CFEDHN N#Cc1c(NC[C@H]2CCN2C2CCCC2)nc2ccccn12 ZINC000528209164 268167700 /nfs/dbraw/zinc/16/77/00/268167700.db2.gz LYPGUZUKEGHYFG-CQSZACIVSA-N 0 3 295.390 2.635 20 30 CFEDHN N#Cc1ccc(OCCN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185845927 268176145 /nfs/dbraw/zinc/17/61/45/268176145.db2.gz ODXYWIDIPRUKAN-GJZGRUSLSA-N 0 3 269.348 2.609 20 30 CFEDHN N#Cc1cc2c(nc1NC[C@H]1CCN1C1CCCC1)CCC2 ZINC000528210617 268194693 /nfs/dbraw/zinc/19/46/93/268194693.db2.gz PZHCABQUBGCGLM-MRXNPFEDSA-N 0 3 296.418 2.871 20 30 CFEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000042312582 270227895 /nfs/dbraw/zinc/22/78/95/270227895.db2.gz OQIXWEUZRUWZDV-UHFFFAOYSA-N 0 3 271.364 2.619 20 30 CFEDHN C=C(C)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351843195 273483187 /nfs/dbraw/zinc/48/31/87/273483187.db2.gz CHULPOKKFNCMML-UHFFFAOYSA-N 0 3 275.352 2.683 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)CN1C1CC1 ZINC000329705759 274395043 /nfs/dbraw/zinc/39/50/43/274395043.db2.gz JOBKQQVJDOTVFA-IUODEOHRSA-N 0 3 296.418 2.869 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NCCC#N)CC3 ZINC000336109127 274765520 /nfs/dbraw/zinc/76/55/20/274765520.db2.gz ZXLAIDUALFLNLJ-LBPRGKRZSA-N 0 3 253.349 2.837 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2COc3ccc(F)cc3C2)c1 ZINC000377406386 274927813 /nfs/dbraw/zinc/92/78/13/274927813.db2.gz YTGCDFIZPMAMDG-INIZCTEOSA-N 0 3 282.318 2.791 20 30 CFEDHN O[C@@]1(C2CC2)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000366910704 275056095 /nfs/dbraw/zinc/05/60/95/275056095.db2.gz COZXKKRLTOZOSI-INIZCTEOSA-N 0 3 275.779 2.538 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000289578083 275388100 /nfs/dbraw/zinc/38/81/00/275388100.db2.gz HRZUZIPCFQLHIE-MRXNPFEDSA-N 0 3 265.360 2.569 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@]2(CCCOC2)C1 ZINC000335788254 275388752 /nfs/dbraw/zinc/38/87/52/275388752.db2.gz WTLORLGBXRSBPG-GOSISDBHSA-N 0 3 269.388 2.931 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)CC2(C)C)CC1 ZINC000335681175 275417659 /nfs/dbraw/zinc/41/76/59/275417659.db2.gz KYMYZMIRBGFEDV-CQSZACIVSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCCc2c(Cl)cccc21 ZINC000289731384 275436127 /nfs/dbraw/zinc/43/61/27/275436127.db2.gz KCVNPBLUUTUABA-IINYFYTJSA-N 0 3 251.757 2.854 20 30 CFEDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC000425483640 276032431 /nfs/dbraw/zinc/03/24/31/276032431.db2.gz RSYHMYQMAVALJM-MRXNPFEDSA-N 0 3 291.826 2.984 20 30 CFEDHN CC[C@@H](O)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352799599 276442747 /nfs/dbraw/zinc/44/27/47/276442747.db2.gz PBSQJTJFKOIYAG-GFCCVEGCSA-N 0 3 286.297 2.828 20 30 CFEDHN CC[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(C#N)cc1 ZINC000278699224 276533600 /nfs/dbraw/zinc/53/36/00/276533600.db2.gz KXDHJWWPGBOHHR-XJKSGUPXSA-N 0 3 268.364 2.884 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354571993 276859473 /nfs/dbraw/zinc/85/94/73/276859473.db2.gz DNGYBTRDYIRFQE-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000161133625 276888943 /nfs/dbraw/zinc/88/89/43/276888943.db2.gz RCMWWZQHXDNGGW-MRXNPFEDSA-N 0 3 287.407 2.651 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1ncnn1C(C)(C)C ZINC000282765164 276909128 /nfs/dbraw/zinc/90/91/28/276909128.db2.gz OMCQTDHVYNZXAD-RYUDHWBXSA-N 0 3 250.390 2.723 20 30 CFEDHN COC(=O)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CC12CCC2 ZINC000373153672 277135420 /nfs/dbraw/zinc/13/54/20/277135420.db2.gz UCXHWSIRGVEACR-CZUORRHYSA-N 0 3 298.386 2.894 20 30 CFEDHN CN1CC[C@@H](Nc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000286583253 277138836 /nfs/dbraw/zinc/13/88/36/277138836.db2.gz STFMLWWCFSKEKJ-IAGOWNOFSA-N 0 3 278.359 2.811 20 30 CFEDHN CC(C)(CCC#N)CN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000352270591 277295526 /nfs/dbraw/zinc/29/55/26/277295526.db2.gz ILBGPCRMRRDJQK-MRXNPFEDSA-N 0 3 299.418 2.926 20 30 CFEDHN COC[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180588 277587348 /nfs/dbraw/zinc/58/73/48/277587348.db2.gz AUHOUXSBZWZUDF-NSHDSACASA-N 0 3 271.282 2.681 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCCCC1 ZINC000097056227 277770461 /nfs/dbraw/zinc/77/04/61/277770461.db2.gz IUYLITHRKVSQKK-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000352539786 277911616 /nfs/dbraw/zinc/91/16/16/277911616.db2.gz CROHQRUGQCKUNN-CKEIUWERSA-N 0 3 297.402 2.641 20 30 CFEDHN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000364019090 278027336 /nfs/dbraw/zinc/02/73/36/278027336.db2.gz HHFBFVDEDCNERT-ROUUACIJSA-N 0 3 297.402 2.534 20 30 CFEDHN CC(C(=O)N1CCc2c1cccc2C#N)C(F)(F)F ZINC000335479370 278143844 /nfs/dbraw/zinc/14/38/44/278143844.db2.gz IPBTYUVAKMLOMT-MRVPVSSYSA-N 0 3 268.238 2.646 20 30 CFEDHN CS[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000276033046 278155798 /nfs/dbraw/zinc/15/57/98/278155798.db2.gz MHDYXWAYGSAOTF-VBNZEHGJSA-N 0 3 289.448 2.597 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000123773936 278297330 /nfs/dbraw/zinc/29/73/30/278297330.db2.gz KGISLRGWLKTXJR-BBRMVZONSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(C#N)cc2Cl)CCN1C ZINC000439440741 279083285 /nfs/dbraw/zinc/08/32/85/279083285.db2.gz OUSTTYGDXJZIQQ-VXGBXAGGSA-N 0 3 277.799 2.736 20 30 CFEDHN C[C@@]1(CCCO)CCCN1CC#Cc1ccc(F)cc1 ZINC000272003501 279157811 /nfs/dbraw/zinc/15/78/11/279157811.db2.gz IDRMQHIXGJKDPQ-KRWDZBQOSA-N 0 3 275.367 2.804 20 30 CFEDHN CCN(CCNCc1ccc(C#N)cc1)CCC(F)(F)F ZINC000494848128 279205998 /nfs/dbraw/zinc/20/59/98/279205998.db2.gz WJHQHDDRKIRVMS-UHFFFAOYSA-N 0 3 299.340 2.922 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc(Cl)c(C#N)s1 ZINC000286215596 279997400 /nfs/dbraw/zinc/99/74/00/279997400.db2.gz CTMAKNUDRPOOIX-UWVGGRQHSA-N 0 3 296.827 2.731 20 30 CFEDHN CC[C@@H](NCC1([S@](C)=O)CC1)c1ccc(C#N)cc1 ZINC000282139699 280185378 /nfs/dbraw/zinc/18/53/78/280185378.db2.gz BZYNKKUYYPWSSK-KUHUBIRLSA-N 0 3 276.405 2.510 20 30 CFEDHN CC1(C)CCC(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000135191715 280767567 /nfs/dbraw/zinc/76/75/67/280767567.db2.gz XHDUAHIDQQKJSW-MRXNPFEDSA-N 0 3 299.418 2.891 20 30 CFEDHN CCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000151053380 280799457 /nfs/dbraw/zinc/79/94/57/280799457.db2.gz NAFUCGZOZGSBLY-HNNXBMFYSA-N 0 3 285.391 2.645 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000255048981 281085370 /nfs/dbraw/zinc/08/53/70/281085370.db2.gz KLKPYNTXRXVWCW-IBSYWUHOSA-N 0 3 297.402 2.562 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1ccccn1)c1cccc(C#N)c1 ZINC000540814135 281590775 /nfs/dbraw/zinc/59/07/75/281590775.db2.gz QLGZWPSMQYOMEM-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN CC[C@@H](NCCn1cnnc1C1CC1)c1ccc(C#N)cc1 ZINC000556078741 281926083 /nfs/dbraw/zinc/92/60/83/281926083.db2.gz ZBUHUPLFHDPMPJ-MRXNPFEDSA-N 0 3 295.390 2.768 20 30 CFEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@H]2C)c1C#N ZINC000558618760 281986915 /nfs/dbraw/zinc/98/69/15/281986915.db2.gz GLPDMKHLQYBSSY-IAQYHMDHSA-N 0 3 272.348 2.623 20 30 CFEDHN C[C@H](C(=O)N(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000560828622 282042995 /nfs/dbraw/zinc/04/29/95/282042995.db2.gz ZAGMIKILVMNCKX-MGPQQGTHSA-N 0 3 285.391 2.782 20 30 CFEDHN Cc1nc2ccccc2n1C1CCN(C(=O)C(C)C#N)CC1 ZINC000336412537 282076808 /nfs/dbraw/zinc/07/68/08/282076808.db2.gz WHZFEGLYBOMCDS-LBPRGKRZSA-N 0 3 296.374 2.668 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2NCCc3ccccc32)c1 ZINC000564088785 290192584 /nfs/dbraw/zinc/19/25/84/290192584.db2.gz AXZUPJFUWSBHOH-GOSISDBHSA-N 0 3 277.371 2.535 20 30 CFEDHN C[C@H]1CCC[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989319 290255217 /nfs/dbraw/zinc/25/52/17/290255217.db2.gz YMGNFJQIYOBBQD-SWLSCSKDSA-N 0 3 283.379 2.611 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CC1 ZINC000565046056 290262890 /nfs/dbraw/zinc/26/28/90/290262890.db2.gz IUWIKKIVHOGQQG-UHFFFAOYSA-N 0 3 259.309 2.698 20 30 CFEDHN C(=N/OCC1CCC1)\c1ccc(N2CCOCC2)cc1 ZINC000157972276 327621903 /nfs/dbraw/zinc/62/19/03/327621903.db2.gz ROHBIEZCELPWSB-SFQUDFHCSA-N 0 3 274.364 2.674 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085478852 782074716 /nfs/dbraw/zinc/07/47/16/782074716.db2.gz GURNXIMBIINZNT-CQSZACIVSA-N 0 3 276.380 2.619 20 30 CFEDHN C#C[C@@H](CC)NCc1cnc2ccc(Br)cn12 ZINC000491788569 327839537 /nfs/dbraw/zinc/83/95/37/327839537.db2.gz XOIUWYQDGAPBOG-NSHDSACASA-N 0 3 292.180 2.598 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCCOc2ncccc2Cl)C1 ZINC000185855716 327848182 /nfs/dbraw/zinc/84/81/82/327848182.db2.gz IUCMMCDYUOZDFH-RYUDHWBXSA-N 0 3 279.771 2.786 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@](C)(CC)C1 ZINC000531580283 328016461 /nfs/dbraw/zinc/01/64/61/328016461.db2.gz AATDOVILEODJJW-OAHLLOKOSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCC1(NC(=O)CN2CC[C@H](C)C2)CCCCC1 ZINC000563408878 328064127 /nfs/dbraw/zinc/06/41/27/328064127.db2.gz UTVYDXRYSAUQCH-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc2c(n1)CCC2 ZINC000571142734 328087809 /nfs/dbraw/zinc/08/78/09/328087809.db2.gz DKZUGSNOKMYXKF-WMLDXEAASA-N 0 3 272.392 2.641 20 30 CFEDHN N#CCCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412246497 328106502 /nfs/dbraw/zinc/10/65/02/328106502.db2.gz OYUZNBIOWWWOFA-UHFFFAOYSA-N 0 3 285.391 2.706 20 30 CFEDHN N#CC1(CNC2CCN(c3ccccc3)CC2)CC1 ZINC000582642884 329117414 /nfs/dbraw/zinc/11/74/14/329117414.db2.gz HPJZCAFXOWBPTK-UHFFFAOYSA-N 0 3 255.365 2.549 20 30 CFEDHN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cn[nH]c1 ZINC000270257971 328192765 /nfs/dbraw/zinc/19/27/65/328192765.db2.gz VLZSDDUOOAWRGY-ZDUSSCGKSA-N 0 3 283.379 2.610 20 30 CFEDHN COc1ccc(C[C@@H](C)CNCC2(C#N)CC2)cc1F ZINC000582762299 329151743 /nfs/dbraw/zinc/15/17/43/329151743.db2.gz ZCQJPFQPRFCOJS-GFCCVEGCSA-N 0 3 276.355 2.906 20 30 CFEDHN COC1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000271043280 328194641 /nfs/dbraw/zinc/19/46/41/328194641.db2.gz OVIWHWLLPKJWKJ-UHFFFAOYSA-N 0 3 287.407 2.647 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(NC(=O)c3ccccc3)CC2)C1 ZINC000278583911 328227728 /nfs/dbraw/zinc/22/77/28/328227728.db2.gz KKUHYKOPCAPVST-YOEHRIQHSA-N 0 3 297.402 2.573 20 30 CFEDHN CN(Cc1ccc2c(c1)OCO2)[C@H]1CC[C@H](C#N)C1 ZINC000278688236 328229519 /nfs/dbraw/zinc/22/95/19/328229519.db2.gz SAUGVLLFJZWYLL-AAEUAGOBSA-N 0 3 258.321 2.539 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)CCCC#N)N(C)C)cc1 ZINC000290987754 328261563 /nfs/dbraw/zinc/26/15/63/328261563.db2.gz RFZOEMFNSKCJKC-INIZCTEOSA-N 0 3 287.407 2.662 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(F)F ZINC000452681379 328269180 /nfs/dbraw/zinc/26/91/80/328269180.db2.gz ZABGNYKKMMNAPF-QWHCGFSZSA-N 0 3 280.318 2.919 20 30 CFEDHN COc1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc(OC)c1 ZINC000292942062 328274127 /nfs/dbraw/zinc/27/41/27/328274127.db2.gz BADJVCODOKNODM-OCCSQVGLSA-N 0 3 274.364 2.828 20 30 CFEDHN Cc1cccnc1OC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293979486 328278887 /nfs/dbraw/zinc/27/88/87/328278887.db2.gz DPMDXMAOSQAKGS-CABCVRRESA-N 0 3 285.391 2.926 20 30 CFEDHN C=C(C)CNCc1ccc(OC)cc1OC(F)F ZINC000119623226 328307368 /nfs/dbraw/zinc/30/73/68/328307368.db2.gz QESBVVKUDJAXQL-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1 ZINC000541890314 328364544 /nfs/dbraw/zinc/36/45/44/328364544.db2.gz POUFUXMEPXOFAL-GOEBONIOSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000121139986 328365005 /nfs/dbraw/zinc/36/50/05/328365005.db2.gz XLAVCJBUTUMDHL-CQSZACIVSA-N 0 3 290.407 2.598 20 30 CFEDHN C=CCCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305148300 328393010 /nfs/dbraw/zinc/39/30/10/328393010.db2.gz NZLYZMGYADQAEH-NSHDSACASA-N 0 3 251.292 2.588 20 30 CFEDHN C[C@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000173860447 323637670 /nfs/dbraw/zinc/63/76/70/323637670.db2.gz KGWPLUROYXHSTN-LBPRGKRZSA-N 0 3 294.358 2.900 20 30 CFEDHN CCc1nc(CCNCc2cc(C#N)cs2)cs1 ZINC000177694595 323701688 /nfs/dbraw/zinc/70/16/88/323701688.db2.gz HFWBNNXVYPYGQL-UHFFFAOYSA-N 0 3 277.418 2.971 20 30 CFEDHN N#Cc1csc(CNCCC(=O)Nc2ccccc2)c1 ZINC000177700071 323702750 /nfs/dbraw/zinc/70/27/50/323702750.db2.gz KVVZUVKTVHXLTA-UHFFFAOYSA-N 0 3 285.372 2.738 20 30 CFEDHN C[C@@H]1C[C@@H]1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000334266105 328421204 /nfs/dbraw/zinc/42/12/04/328421204.db2.gz YTCAROWWLFNERR-ZIAGYGMSSA-N 0 3 255.365 2.595 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1OC)[C@H]1CCCO1 ZINC000182264866 323850974 /nfs/dbraw/zinc/85/09/74/323850974.db2.gz WPKCOOIHSKHDHS-LSDHHAIUSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CC1CCN(C(=O)Nc2ccccc2CNC)CC1 ZINC000415908902 328430787 /nfs/dbraw/zinc/43/07/87/328430787.db2.gz FDZNJHSHFRWPCI-UHFFFAOYSA-N 0 3 273.380 2.836 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192620692 324062626 /nfs/dbraw/zinc/06/26/26/324062626.db2.gz OEZBTUSYYBAWDK-JKIFEVAISA-N 0 3 297.402 2.926 20 30 CFEDHN C=CCC[C@@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000425342506 328468551 /nfs/dbraw/zinc/46/85/51/328468551.db2.gz APZFVXBCFLRNSO-LLVKDONJSA-N 0 3 250.317 2.709 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@H](CO)C2CCCCC2)c1 ZINC000386299842 324476671 /nfs/dbraw/zinc/47/66/71/324476671.db2.gz VHPZCOFFTBGIOQ-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN N#Cc1csc(CN[C@H](CO)C2CCCCC2)c1 ZINC000386372053 324478120 /nfs/dbraw/zinc/47/81/20/324478120.db2.gz QBORRZFQJXAOGR-CQSZACIVSA-N 0 3 264.394 2.651 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580075484 325004568 /nfs/dbraw/zinc/00/45/68/325004568.db2.gz BMUYDHWZQDDBPG-OLZOCXBDSA-N 0 3 283.379 2.611 20 30 CFEDHN Cc1cc(F)cc2c1ncc(C#N)c2N1CCNC(C)(C)C1 ZINC000581243315 325102717 /nfs/dbraw/zinc/10/27/17/325102717.db2.gz ZGJZWFBAEJKBID-UHFFFAOYSA-N 0 3 298.365 2.742 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCC1 ZINC000582125136 325179248 /nfs/dbraw/zinc/17/92/48/325179248.db2.gz HURCWCCWWOCEBL-UHFFFAOYSA-N 0 3 259.309 2.841 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)nc1 ZINC000582369034 325199832 /nfs/dbraw/zinc/19/98/32/325199832.db2.gz YPHSYWBFUHUORW-KRWDZBQOSA-N 0 3 297.402 2.734 20 30 CFEDHN CC[C@@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000583145375 325264242 /nfs/dbraw/zinc/26/42/42/325264242.db2.gz OJWAVQUFENTMDM-OAHLLOKOSA-N 0 3 283.379 2.756 20 30 CFEDHN C=CCC[C@H](C(=O)N[C@H](C)CN(C)C)c1ccccc1 ZINC000346229265 328571149 /nfs/dbraw/zinc/57/11/49/328571149.db2.gz SCYRJOFANKCNML-ZBFHGGJFSA-N 0 3 274.408 2.803 20 30 CFEDHN C=CCOCCN1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451411948 331028092 /nfs/dbraw/zinc/02/80/92/331028092.db2.gz VYMSSMFOWFKBSL-MNOVXSKESA-N 0 3 251.292 2.852 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@H](C)NCC#Cc1ccccc1Cl ZINC000558723288 327117286 /nfs/dbraw/zinc/11/72/86/327117286.db2.gz UBLBOESYVFMOOF-STQMWFEESA-N 0 3 293.794 2.869 20 30 CFEDHN COC(=O)CCC1CCN(CC#Cc2ccccc2)CC1 ZINC000558839862 327124792 /nfs/dbraw/zinc/12/47/92/327124792.db2.gz LLVYBQSSUJKVCT-UHFFFAOYSA-N 0 3 285.387 2.703 20 30 CFEDHN CCN(CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000076673658 327130400 /nfs/dbraw/zinc/13/04/00/327130400.db2.gz QKAXHIAITRPAIB-OAHLLOKOSA-N 0 3 287.407 2.972 20 30 CFEDHN COc1cccc(C[C@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000566116616 327140492 /nfs/dbraw/zinc/14/04/92/327140492.db2.gz LWNKHAUIFIIHMN-ZFWWWQNUSA-N 0 3 271.364 2.659 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000566174242 327155583 /nfs/dbraw/zinc/15/55/83/327155583.db2.gz QXKUKHVJASJPIP-OLZOCXBDSA-N 0 3 253.386 2.862 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000565028220 327399407 /nfs/dbraw/zinc/39/94/07/327399407.db2.gz GGHOFMBNSZKHNE-UPJWGTAASA-N 0 3 296.374 2.865 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(OC)cc1F ZINC000565084508 327459617 /nfs/dbraw/zinc/45/96/17/327459617.db2.gz WNCXTGJJPXVSLN-CZUORRHYSA-N 0 3 279.355 2.905 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2C[C@H]2OCC)ccc1OC ZINC000562467965 327483269 /nfs/dbraw/zinc/48/32/69/327483269.db2.gz SELDETUFJMEWSS-GOEBONIOSA-N 0 3 291.391 2.917 20 30 CFEDHN OC[C@@H](NCC#Cc1ccccc1)C1CCCCC1 ZINC000395175924 328625777 /nfs/dbraw/zinc/62/57/77/328625777.db2.gz YZRMRVJALRCQFI-QGZVFWFLSA-N 0 3 257.377 2.569 20 30 CFEDHN CCc1ccc([C@H](CO)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000361428005 328925700 /nfs/dbraw/zinc/92/57/00/328925700.db2.gz XLKXJDBJXLFJSZ-PVAVHDDUSA-N 0 3 272.392 2.954 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C2CC2)CC1 ZINC000377403453 329014302 /nfs/dbraw/zinc/01/43/02/329014302.db2.gz SYCPVNCAKDMLCK-INIZCTEOSA-N 0 3 291.439 2.611 20 30 CFEDHN CN(C(=O)CN1CCC[C@H]1C1CC1)C1(C#N)CCCCC1 ZINC000377533839 329017845 /nfs/dbraw/zinc/01/78/45/329017845.db2.gz MWRQGEUNIQIGRJ-HNNXBMFYSA-N 0 3 289.423 2.546 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000377657988 329023438 /nfs/dbraw/zinc/02/34/38/329023438.db2.gz IXWRVDTWJUVNGC-MRXNPFEDSA-N 0 3 265.360 2.771 20 30 CFEDHN C=CCN[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377663904 329023634 /nfs/dbraw/zinc/02/36/34/329023634.db2.gz DAJRMVLWEBVBCS-ZIAGYGMSSA-N 0 3 268.763 3.000 20 30 CFEDHN C=CCN[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377663902 329023643 /nfs/dbraw/zinc/02/36/43/329023643.db2.gz DAJRMVLWEBVBCS-KGLIPLIRSA-N 0 3 268.763 3.000 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cc1 ZINC000377707376 329026299 /nfs/dbraw/zinc/02/62/99/329026299.db2.gz WSZNEGBTIXYWRB-MOPGFXCFSA-N 0 3 296.414 2.643 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000378030359 329037537 /nfs/dbraw/zinc/03/75/37/329037537.db2.gz VWCSTQRJMQZPMA-SWLSCSKDSA-N 0 3 270.392 2.670 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000171723277 329079090 /nfs/dbraw/zinc/07/90/90/329079090.db2.gz PTIJBMGMMKRUEI-LSDHHAIUSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](CC)CCC)CC1 ZINC000171727677 329079401 /nfs/dbraw/zinc/07/94/01/329079401.db2.gz OFBJZRBEJLHRAT-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000171738673 329079901 /nfs/dbraw/zinc/07/99/01/329079901.db2.gz JZLSHCFAXSIYJA-INIZCTEOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000171822427 329080358 /nfs/dbraw/zinc/08/03/58/329080358.db2.gz HIAIXGXXFFLHFY-OAHLLOKOSA-N 0 3 286.419 2.632 20 30 CFEDHN CCCCCCCCN1CCCN(C(C)=O)CC1 ZINC000172648572 329136031 /nfs/dbraw/zinc/13/60/31/329136031.db2.gz MMCUQTWZCCLMEH-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NC2(C#N)CCCCC2)c1 ZINC000172614058 329137733 /nfs/dbraw/zinc/13/77/33/329137733.db2.gz NWHXHJREEQVWQQ-UHFFFAOYSA-N 0 3 285.391 2.704 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418336829 329158292 /nfs/dbraw/zinc/15/82/92/329158292.db2.gz XUIVPFBYEAYRCB-SWLSCSKDSA-N 0 3 275.396 2.684 20 30 CFEDHN N#CCCCN1CCC(OCC2CCCC2)CC1 ZINC000177497443 329185016 /nfs/dbraw/zinc/18/50/16/329185016.db2.gz GBZOBVHJQLXTGR-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN C#CCCOc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000179731365 329208084 /nfs/dbraw/zinc/20/80/84/329208084.db2.gz KLUTWNPDCVQERU-UHFFFAOYSA-N 0 3 298.430 2.759 20 30 CFEDHN C=C(C)CN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000180376016 329215564 /nfs/dbraw/zinc/21/55/64/329215564.db2.gz BGPUYMNAUPSWDT-UHFFFAOYSA-N 0 3 289.423 2.726 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2ccc(C)cn2)CC1 ZINC000181551786 329234458 /nfs/dbraw/zinc/23/44/58/329234458.db2.gz ZKGQPQLVNUILMC-HNNXBMFYSA-N 0 3 290.407 2.560 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000184268237 329258428 /nfs/dbraw/zinc/25/84/28/329258428.db2.gz YHUZEPFGKRBMSG-GFCCVEGCSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OCC)c(OC)c1 ZINC000321093823 329258744 /nfs/dbraw/zinc/25/87/44/329258744.db2.gz KRONUKFIOIIZKU-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000185123279 329268653 /nfs/dbraw/zinc/26/86/53/329268653.db2.gz ZULNRJKTSLTROB-CQSZACIVSA-N 0 3 254.418 2.635 20 30 CFEDHN N#CCSCCCN1CCC(O)(c2ccccc2)CC1 ZINC000185470699 329273931 /nfs/dbraw/zinc/27/39/31/329273931.db2.gz GMSIPKQIWLNJRL-UHFFFAOYSA-N 0 3 290.432 2.617 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000582966209 329294896 /nfs/dbraw/zinc/29/48/96/329294896.db2.gz GTSJPDXYUUSEJD-BBRMVZONSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(F)cc1F ZINC000321287821 329340340 /nfs/dbraw/zinc/34/03/40/329340340.db2.gz GYPFTYCVGVZBGS-JQWIXIFHSA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCC[C@@H](O)CNC(C)(C)c1nc2ccccc2n1C ZINC000186571031 329345578 /nfs/dbraw/zinc/34/55/78/329345578.db2.gz ZCXZGVVSFQRWKF-CYBMUJFWSA-N 0 3 287.407 2.725 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CCC1 ZINC000188716962 329370778 /nfs/dbraw/zinc/37/07/78/329370778.db2.gz OUMUJXBKMITMNE-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN Cc1ccc2ncc(CNCC(C)(C)CC#N)n2c1 ZINC000459730443 329373866 /nfs/dbraw/zinc/37/38/66/329373866.db2.gz MGKDLQKVIAJOAZ-UHFFFAOYSA-N 0 3 256.353 2.672 20 30 CFEDHN CC(C)(C#N)CCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000232531384 329387476 /nfs/dbraw/zinc/38/74/76/329387476.db2.gz HVCHFWAMSVAXKC-UONOGXRCSA-N 0 3 250.386 2.960 20 30 CFEDHN CC(C)CCC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000124972085 329575975 /nfs/dbraw/zinc/57/59/75/329575975.db2.gz DQTOCZVWBFLYFS-HNNXBMFYSA-N 0 3 293.455 2.895 20 30 CFEDHN CC[C@@H]1CN(CCCSCC#N)C[C@@H](CC)O1 ZINC000420955374 329790852 /nfs/dbraw/zinc/79/08/52/329790852.db2.gz LJVSYUTXTFSRMI-CHWSQXEVSA-N 0 3 256.415 2.523 20 30 CFEDHN COc1ccc([C@H](CCO)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248717910 329897683 /nfs/dbraw/zinc/89/76/83/329897683.db2.gz CCAMJGLZCQKWRL-KMFMINBZSA-N 0 3 288.391 2.791 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1CCC(C)CC1 ZINC000079871708 330063180 /nfs/dbraw/zinc/06/31/80/330063180.db2.gz JHOQYYSTBZLWGF-SLTAFYQDSA-N 0 3 279.428 2.505 20 30 CFEDHN C#CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000271081708 330077602 /nfs/dbraw/zinc/07/76/02/330077602.db2.gz YMZHLVJIBBPYRU-INIZCTEOSA-N 0 3 273.376 2.787 20 30 CFEDHN C#CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000271081708 330077603 /nfs/dbraw/zinc/07/76/03/330077603.db2.gz YMZHLVJIBBPYRU-INIZCTEOSA-N 0 3 273.376 2.787 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H]2C[C@H](C)CCN2)c1 ZINC000423077449 330168445 /nfs/dbraw/zinc/16/84/45/330168445.db2.gz MJVBKZUBZSVLEH-IUODEOHRSA-N 0 3 274.364 2.578 20 30 CFEDHN C=CC1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423181334 330175430 /nfs/dbraw/zinc/17/54/30/330175430.db2.gz OVTUSZBEGNFRNS-HNNXBMFYSA-N 0 3 264.413 2.709 20 30 CFEDHN CN(Cc1ccc2ccccc2c1)C(=O)[C@H](N)CCCC#N ZINC000424060890 330218744 /nfs/dbraw/zinc/21/87/44/330218744.db2.gz DLKLNPLJWSTYFC-QGZVFWFLSA-N 0 3 295.386 2.819 20 30 CFEDHN CC(C)c1ccccc1NC(=O)[C@@H](N)CCCC#N ZINC000424080079 330221764 /nfs/dbraw/zinc/22/17/64/330221764.db2.gz SEGZRXRTZJUGHS-ZDUSSCGKSA-N 0 3 259.353 2.770 20 30 CFEDHN Cc1ccc(Cl)cc1NC(=O)[C@H](N)CCCC#N ZINC000424086050 330223565 /nfs/dbraw/zinc/22/35/65/330223565.db2.gz ZXPRFYIKWZXQCB-LLVKDONJSA-N 0 3 265.744 2.608 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000424086499 330223570 /nfs/dbraw/zinc/22/35/70/330223570.db2.gz CCWJCHBRQKRMNY-DOMZBBRYSA-N 0 3 291.370 2.756 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCC#N)c(C)c1 ZINC000424088643 330224435 /nfs/dbraw/zinc/22/44/35/330224435.db2.gz HFXSKSIGFMMGRZ-CQSZACIVSA-N 0 3 289.379 2.744 20 30 CFEDHN CC(C)COc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424104623 330233751 /nfs/dbraw/zinc/23/37/51/330233751.db2.gz UXZDZHPTLGYKQB-HNNXBMFYSA-N 0 3 289.379 2.681 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000424104329 330233810 /nfs/dbraw/zinc/23/38/10/330233810.db2.gz SQOUBFIGJKHOQA-IRXDYDNUSA-N 0 3 297.402 2.686 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000424111590 330240100 /nfs/dbraw/zinc/24/01/00/330240100.db2.gz AVKYIJVRCJEOMB-HOTGVXAUSA-N 0 3 285.391 2.665 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC2(C1)CCCCCC2 ZINC000424118755 330244233 /nfs/dbraw/zinc/24/42/33/330244233.db2.gz CRZKCCRQVSRRLM-HNNXBMFYSA-N 0 3 291.439 2.971 20 30 CFEDHN CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424119967 330247997 /nfs/dbraw/zinc/24/79/97/330247997.db2.gz DJDJJMGQPUFDIV-JKSUJKDBSA-N 0 3 287.407 2.863 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000424122807 330254644 /nfs/dbraw/zinc/25/46/44/330254644.db2.gz JSWOWPXHMFAEHB-YESZJQIVSA-N 0 3 299.418 2.535 20 30 CFEDHN CCSCc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424130056 330260460 /nfs/dbraw/zinc/26/04/60/330260460.db2.gz SQLXPKDSIHCEHX-CQSZACIVSA-N 0 3 291.420 2.899 20 30 CFEDHN CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)(C)C ZINC000424133134 330265382 /nfs/dbraw/zinc/26/53/82/330265382.db2.gz XAMBCUPQDTVQFG-UONOGXRCSA-N 0 3 281.444 2.975 20 30 CFEDHN Cc1cc(C)cc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424135880 330270914 /nfs/dbraw/zinc/27/09/14/330270914.db2.gz KAMGBEKHAXTKDM-HIFRSBDPSA-N 0 3 273.380 2.502 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccncc1Cl ZINC000527703047 330275329 /nfs/dbraw/zinc/27/53/29/330275329.db2.gz IVJWLXGNTICOQT-JSGCOSHPSA-N 0 3 266.772 2.806 20 30 CFEDHN C=CCOc1ccccc1CNCCc1ccc(OC)nc1 ZINC000527794296 330283732 /nfs/dbraw/zinc/28/37/32/330283732.db2.gz XSPFKEORUVUPBC-UHFFFAOYSA-N 0 3 298.386 2.987 20 30 CFEDHN COc1cccc([C@H](CN[C@H]2CC[C@@H](C#N)C2)OC)c1 ZINC000527925538 330296558 /nfs/dbraw/zinc/29/65/58/330296558.db2.gz KZGXMFDBWUUTMB-INWMFGNUSA-N 0 3 274.364 2.665 20 30 CFEDHN C=CC[C@H](C)[C@H](C)N[C@@H]1Cc2ccccc2NC1=O ZINC000528002364 330300156 /nfs/dbraw/zinc/30/01/56/330300156.db2.gz QXDNBFKQCVAWFC-SLEUVZQESA-N 0 3 258.365 2.740 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)N[C@H]1Cc2ccccc2NC1=O ZINC000528002374 330300250 /nfs/dbraw/zinc/30/02/50/330300250.db2.gz QXDNBFKQCVAWFC-ZOWXZIJZSA-N 0 3 258.365 2.740 20 30 CFEDHN Cn1cc2ccc(CN[C@@H]3CCC[C@H](C#N)C3)cc2n1 ZINC000527967166 330301309 /nfs/dbraw/zinc/30/13/09/330301309.db2.gz XEJUNKJCIVSQTJ-SWLSCSKDSA-N 0 3 268.364 2.745 20 30 CFEDHN CC(C)(C)c1ccc(O)c(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424171301 330311119 /nfs/dbraw/zinc/31/11/19/330311119.db2.gz CIMJNYDJUFJZLR-GFCCVEGCSA-N 0 3 289.379 2.649 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nccn1Cc1ccccc1 ZINC000424169407 330312017 /nfs/dbraw/zinc/31/20/17/330312017.db2.gz HOVKOVLPPJGDAL-IRXDYDNUSA-N 0 3 297.402 2.612 20 30 CFEDHN C=CCn1cc(CNC[C@H]2C(C)=CCC[C@H]2C)nn1 ZINC000424176859 330317298 /nfs/dbraw/zinc/31/72/98/330317298.db2.gz YTSGGWOJDDYZGI-HIFRSBDPSA-N 0 3 260.385 2.546 20 30 CFEDHN CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H](N)CCCC#N)CC2 ZINC000424185176 330320401 /nfs/dbraw/zinc/32/04/01/330320401.db2.gz FMHYCTDMEPXAJN-SJORKVTESA-N 0 3 299.418 2.935 20 30 CFEDHN COc1ccc(-c2n[nH]cc2CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424192039 330323809 /nfs/dbraw/zinc/32/38/09/330323809.db2.gz IILKSVSBVSLOIM-SWLSCSKDSA-N 0 3 296.374 2.867 20 30 CFEDHN COc1ccccc1/C=C\CN[C@@H]1CC[C@H](C#N)C1 ZINC000424200124 330326641 /nfs/dbraw/zinc/32/66/41/330326641.db2.gz RATICBIJRHBEFB-MVOUDAGVSA-N 0 3 256.349 2.990 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000424201812 330327008 /nfs/dbraw/zinc/32/70/08/330327008.db2.gz OYCWHBVVGGQAMJ-OAHLLOKOSA-N 0 3 299.374 2.555 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@H](C)CC[C@@H]2CC)nn1 ZINC000424297102 330336206 /nfs/dbraw/zinc/33/62/06/330336206.db2.gz PWPUJNCUGKRBAZ-VNHYZAJKSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000424298417 330336562 /nfs/dbraw/zinc/33/65/62/330336562.db2.gz SGMDZBYNIJQDLH-GZBFAFLISA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000424298415 330336578 /nfs/dbraw/zinc/33/65/78/330336578.db2.gz SGMDZBYNIJQDLH-GUTXKFCHSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CNC2CCc3ccccc3CC2)nn1 ZINC000424298639 330336686 /nfs/dbraw/zinc/33/66/86/330336686.db2.gz SUCZVVVCDQIBSF-UHFFFAOYSA-N 0 3 282.391 2.501 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCC2CCCC2)nn1 ZINC000424300982 330337846 /nfs/dbraw/zinc/33/78/46/330337846.db2.gz YYACMWXLJGRSCB-ZDUSSCGKSA-N 0 3 262.401 2.913 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000424412727 330350496 /nfs/dbraw/zinc/35/04/96/330350496.db2.gz BIEBIZFDECOVFJ-JSGCOSHPSA-N 0 3 286.379 2.658 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000057137271 330371949 /nfs/dbraw/zinc/37/19/49/330371949.db2.gz XRPSOCUGDNIGKJ-SFHVURJKSA-N 0 3 298.430 2.989 20 30 CFEDHN C=CCn1c(C)cc(C(=O)CSCCN(C)C)c1C ZINC000120193675 330386253 /nfs/dbraw/zinc/38/62/53/330386253.db2.gz FXNWWHNMQOJHEL-UHFFFAOYSA-N 0 3 280.437 2.768 20 30 CFEDHN C=CCCCCCN(C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000120307313 330387712 /nfs/dbraw/zinc/38/77/12/330387712.db2.gz YSTYSOUMFDWUFG-HNNXBMFYSA-N 0 3 281.444 2.716 20 30 CFEDHN C=CCCCN(C)CC(=O)NCC1CCCCC1 ZINC000121166200 330396816 /nfs/dbraw/zinc/39/68/16/330396816.db2.gz PQWCFOIGEGGSPH-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCN(C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000121212104 330397718 /nfs/dbraw/zinc/39/77/18/330397718.db2.gz WUTOWFLQQUAQEC-LBPRGKRZSA-N 0 3 273.298 2.727 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000424700721 330450441 /nfs/dbraw/zinc/45/04/41/330450441.db2.gz DCOSJRVAYPOJTD-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2ccccc2)n1 ZINC000430031934 330557663 /nfs/dbraw/zinc/55/76/63/330557663.db2.gz ALROHPMKVPYTAH-UHFFFAOYSA-N 0 3 280.375 2.871 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000442635078 330777701 /nfs/dbraw/zinc/77/77/01/330777701.db2.gz OSKCPOGLHMXKAV-JHJVBQTASA-N 0 3 263.410 2.633 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000442703759 330779887 /nfs/dbraw/zinc/77/98/87/330779887.db2.gz BDBCNSMVFMGKJH-FPMFFAJLSA-N 0 3 263.410 2.633 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2-n2ccnc2)C1 ZINC000442782243 330782630 /nfs/dbraw/zinc/78/26/30/330782630.db2.gz KUDGMQRRWGJQIE-UKRRQHHQSA-N 0 3 266.348 2.654 20 30 CFEDHN Cc1cccc(C)c1OCCN[C@@H]1CC[C@H](C#N)C1 ZINC000442784209 330782935 /nfs/dbraw/zinc/78/29/35/330782935.db2.gz PCMFKEUBOSFRHA-LSDHHAIUSA-N 0 3 258.365 2.964 20 30 CFEDHN COCCNc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442790627 330783857 /nfs/dbraw/zinc/78/38/57/330783857.db2.gz LXWKPMTVKNQNTN-GDBMZVCRSA-N 0 3 273.380 2.527 20 30 CFEDHN Cn1cc(CNCCCC#N)c(-c2ccc(F)cc2)n1 ZINC000449232698 330908056 /nfs/dbraw/zinc/90/80/56/330908056.db2.gz IVPCKXRHKOWBMO-UHFFFAOYSA-N 0 3 272.327 2.620 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2C=C)cc1 ZINC000449519114 330933278 /nfs/dbraw/zinc/93/32/78/330933278.db2.gz LKPCBWIHVVMVEI-CVEARBPZSA-N 0 3 259.349 2.685 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC2CC(F)(F)C2)CC1 ZINC000449846475 330952073 /nfs/dbraw/zinc/95/20/73/330952073.db2.gz YPOFXAOGSGGVLY-UHFFFAOYSA-N 0 3 286.366 2.579 20 30 CFEDHN C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1CCOCCC#N ZINC000451150547 331017802 /nfs/dbraw/zinc/01/78/02/331017802.db2.gz TUJMPJAQEFQXOA-QJPTWQEYSA-N 0 3 278.318 2.968 20 30 CFEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCC#Cc1ccccc1 ZINC000451235747 331021444 /nfs/dbraw/zinc/02/14/44/331021444.db2.gz KSCUFWYSTOFTQW-SJORKVTESA-N 0 3 285.387 2.750 20 30 CFEDHN CC[C@H]1[C@H](CO)CCN1CC#Cc1cccc(Cl)c1 ZINC000451250284 331021877 /nfs/dbraw/zinc/02/18/77/331021877.db2.gz DFFCILYVMAYDQB-HOCLYGCPSA-N 0 3 277.795 2.784 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@]1(C#N)C[C@@H]1C)N(C)C ZINC000451265511 331022409 /nfs/dbraw/zinc/02/24/09/331022409.db2.gz LTDKYLQIVRDVBY-DNUAJFIVSA-N 0 3 299.418 2.652 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@]1(C#N)C[C@@H]1C)N(C)C ZINC000451265512 331022459 /nfs/dbraw/zinc/02/24/59/331022459.db2.gz LTDKYLQIVRDVBY-ILXVDBEPSA-N 0 3 299.418 2.652 20 30 CFEDHN CC#CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543504 331033491 /nfs/dbraw/zinc/03/34/91/331033491.db2.gz CCLCDVALJVMMMA-AWEZNQCLSA-N 0 3 258.321 2.798 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccccc1C(C)C ZINC000451602112 331035956 /nfs/dbraw/zinc/03/59/56/331035956.db2.gz WJDPZZJIIHDDAP-CVEARBPZSA-N 0 3 288.391 2.682 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccccc1C(C)(C)C#N ZINC000451604535 331036114 /nfs/dbraw/zinc/03/61/14/331036114.db2.gz HHBHQQGDFDLDQF-CVEARBPZSA-N 0 3 270.376 2.921 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccncc1Cl ZINC000451678574 331038793 /nfs/dbraw/zinc/03/87/93/331038793.db2.gz WZTOSMMPBMFAHK-OLZOCXBDSA-N 0 3 252.745 2.558 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2cccnc2s1 ZINC000451681738 331038981 /nfs/dbraw/zinc/03/89/81/331038981.db2.gz NDUQCNNSNZZCBL-PWSUYJOCSA-N 0 3 275.377 2.515 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cncn1Cc1ccccc1 ZINC000451686053 331039119 /nfs/dbraw/zinc/03/91/19/331039119.db2.gz ZYRNDRBSQUMIGX-MSOLQXFVSA-N 0 3 297.402 2.755 20 30 CFEDHN C=CCCC[C@H](C)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451740072 331040884 /nfs/dbraw/zinc/04/08/84/331040884.db2.gz KKKYTFRQJAZCJS-LSDHHAIUSA-N 0 3 285.453 2.632 20 30 CFEDHN CC[C@H]1CN(CC)CCN1CC#Cc1ccc(F)cc1 ZINC000451743277 331040943 /nfs/dbraw/zinc/04/09/43/331040943.db2.gz TVFORYAMEOAEHL-KRWDZBQOSA-N 0 3 274.383 2.593 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451894924 331046575 /nfs/dbraw/zinc/04/65/75/331046575.db2.gz SKLMHJHWKJFNQR-VXGBXAGGSA-N 0 3 292.345 2.952 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451965503 331048607 /nfs/dbraw/zinc/04/86/07/331048607.db2.gz LAKDTXICGZAGMR-LSDHHAIUSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C)(C)C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000452068220 331052844 /nfs/dbraw/zinc/05/28/44/331052844.db2.gz BOZDZKPEYDJWHN-GUYCJALGSA-N 0 3 291.439 2.553 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C(C)C)C1CC(C)(C)C1 ZINC000452105864 331054513 /nfs/dbraw/zinc/05/45/13/331054513.db2.gz OXZMDUAERDJXEX-UHFFFAOYSA-N 0 3 279.428 2.648 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452170275 331057004 /nfs/dbraw/zinc/05/70/04/331057004.db2.gz IETHOBJSSDMSRH-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000452256954 331060119 /nfs/dbraw/zinc/06/01/19/331060119.db2.gz HPHKJKZMNJFSJM-VIFPVBQESA-N 0 3 298.264 2.850 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)CCc1ccccc1)C(C)(F)F ZINC000452882106 331079958 /nfs/dbraw/zinc/07/99/58/331079958.db2.gz XXYJGZZRGPVYHW-DGCLKSJQSA-N 0 3 280.318 2.919 20 30 CFEDHN C=CC[C@H](C(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000452975706 331082413 /nfs/dbraw/zinc/08/24/13/331082413.db2.gz NYMWVGAIELTTJI-IKGGRYGDSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@H]1C1CC1 ZINC000453009437 331083381 /nfs/dbraw/zinc/08/33/81/331083381.db2.gz FUTCZPIVZBEKNK-SJORKVTESA-N 0 3 287.403 2.639 20 30 CFEDHN C=C(C)CCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000453319011 331115928 /nfs/dbraw/zinc/11/59/28/331115928.db2.gz MVFOESSVTUXJIX-CYBMUJFWSA-N 0 3 260.316 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)c(F)c1 ZINC000453372720 331124205 /nfs/dbraw/zinc/12/42/05/331124205.db2.gz UZWJHWUVYCCHKD-HONMWMINSA-N 0 3 265.328 2.828 20 30 CFEDHN C=CCC[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453372974 331124251 /nfs/dbraw/zinc/12/42/51/331124251.db2.gz VPNNFXNJMGMASN-CJNGLKHVSA-N 0 3 290.363 2.889 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C2CCCC2)CC1 ZINC000454541021 331148361 /nfs/dbraw/zinc/14/83/61/331148361.db2.gz KEZUJHGMYHTDNA-INIZCTEOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000455560805 331173118 /nfs/dbraw/zinc/17/31/18/331173118.db2.gz PUJRGRFDGYPHBH-HNNXBMFYSA-N 0 3 275.396 2.555 20 30 CFEDHN C=C(C)CCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000456124669 331184942 /nfs/dbraw/zinc/18/49/42/331184942.db2.gz SUWQRQDWJLBTLV-AWEZNQCLSA-N 0 3 252.402 2.579 20 30 CFEDHN CCCCN(C(=O)C(C)C#N)[C@@H]1CCCC[C@H]1OC ZINC000456200123 331186412 /nfs/dbraw/zinc/18/64/12/331186412.db2.gz VWJNARQOAAXNSG-MGPQQGTHSA-N 0 3 266.385 2.732 20 30 CFEDHN C[C@H](C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000456695926 331198909 /nfs/dbraw/zinc/19/89/09/331198909.db2.gz PKVATBSBRDULAM-CYBMUJFWSA-N 0 3 279.428 2.505 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cccc(CC#N)c1 ZINC000456746199 331199890 /nfs/dbraw/zinc/19/98/90/331199890.db2.gz HVZZFMTYYBGGJZ-GFCCVEGCSA-N 0 3 273.380 2.858 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000456872720 331208060 /nfs/dbraw/zinc/20/80/60/331208060.db2.gz WBSBGJDELWYQEL-IKGGRYGDSA-N 0 3 282.387 2.921 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@H](C)[C@H]1C)C(C)C ZINC000457737683 331232860 /nfs/dbraw/zinc/23/28/60/331232860.db2.gz FDVQOGZPEIJVHK-BZUAXINKSA-N 0 3 293.455 2.735 20 30 CFEDHN CC(C)[C@@H]1C[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000458118545 331243302 /nfs/dbraw/zinc/24/33/02/331243302.db2.gz VGZDXDCKJSYIFR-OWCLPIDISA-N 0 3 270.376 2.920 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000458807853 331260464 /nfs/dbraw/zinc/26/04/64/331260464.db2.gz GWUSZGAFMSKTOB-KBPBESRZSA-N 0 3 281.444 2.570 20 30 CFEDHN C=C(C)CCNC(=O)N(CCC)CCN1CCCCC1 ZINC000458994425 331265191 /nfs/dbraw/zinc/26/51/91/331265191.db2.gz GCYZPLBBSYLJHH-UHFFFAOYSA-N 0 3 281.444 2.860 20 30 CFEDHN C=C(C)CN(C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459458068 331282272 /nfs/dbraw/zinc/28/22/72/331282272.db2.gz JMLSVFISJDUBMX-HNNXBMFYSA-N 0 3 274.408 2.920 20 30 CFEDHN CC#CCN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459534432 331286310 /nfs/dbraw/zinc/28/63/10/331286310.db2.gz QDQRGOOGFWQVRY-MRXNPFEDSA-N 0 3 257.377 2.893 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(O)c(OCC)c1 ZINC000459572296 331288699 /nfs/dbraw/zinc/28/86/99/331288699.db2.gz PROBOAKCEIOSNL-HIFRSBDPSA-N 0 3 277.364 2.614 20 30 CFEDHN CC(C)CN(CCCSCC#N)Cc1cnn(C)c1 ZINC000459590191 331289714 /nfs/dbraw/zinc/28/97/14/331289714.db2.gz JQFZBZLCWISYBE-UHFFFAOYSA-N 0 3 280.441 2.525 20 30 CFEDHN C=CCOCCCN[C@H](C)c1nc2c(s1)CCC2 ZINC000459628869 331291100 /nfs/dbraw/zinc/29/11/00/331291100.db2.gz FJOGJHXILPOIQV-LLVKDONJSA-N 0 3 266.410 2.875 20 30 CFEDHN C[C@H](NCCCSCC#N)c1nc2c(s1)CCC2 ZINC000459630357 331291104 /nfs/dbraw/zinc/29/11/04/331291104.db2.gz GESBFXUWDDGLSO-JTQLQIEISA-N 0 3 281.450 2.929 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](OCC)C2)cc1OC ZINC000459652181 331292327 /nfs/dbraw/zinc/29/23/27/331292327.db2.gz WBLDVBKMFCHSCC-GASCZTMLSA-N 0 3 291.391 2.917 20 30 CFEDHN CC(C)(C)c1nnc(C[NH2+]C2CCC(C)(C#N)CC2)[n-]1 ZINC000459677050 331293766 /nfs/dbraw/zinc/29/37/66/331293766.db2.gz MLGRGRRDQRACSR-UHFFFAOYSA-N 0 3 275.400 2.664 20 30 CFEDHN CC(C)(C)c1nnc(CNC2CCC(C)(C#N)CC2)[nH]1 ZINC000459677050 331293767 /nfs/dbraw/zinc/29/37/67/331293767.db2.gz MLGRGRRDQRACSR-UHFFFAOYSA-N 0 3 275.400 2.664 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000488473886 332012487 /nfs/dbraw/zinc/01/24/87/332012487.db2.gz AIYZLCJKFKHSQD-GJZGRUSLSA-N 0 3 289.423 2.524 20 30 CFEDHN C=CCCCCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000489007863 332037260 /nfs/dbraw/zinc/03/72/60/332037260.db2.gz AHRDPNGLWSJHNI-CQSZACIVSA-N 0 3 273.442 2.632 20 30 CFEDHN C=C[C@H]1CCCCN1CCOc1cccc(C(=O)OC)c1 ZINC000489450293 332053551 /nfs/dbraw/zinc/05/35/51/332053551.db2.gz VTRGDXRQEIGPOD-HNNXBMFYSA-N 0 3 289.375 2.893 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccc(F)cc1 ZINC000489493950 332056227 /nfs/dbraw/zinc/05/62/27/332056227.db2.gz IKNYGSHQQCMKKJ-CABCVRRESA-N 0 3 279.355 2.606 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000490574076 332092286 /nfs/dbraw/zinc/09/22/86/332092286.db2.gz BKJVBPLAZBZTSV-HNNXBMFYSA-N 0 3 278.440 2.663 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)CCC(C)(C)C)CC1 ZINC000490656036 332100545 /nfs/dbraw/zinc/10/05/45/332100545.db2.gz HAXLTBFSFLZKIR-AWEZNQCLSA-N 0 3 278.440 2.663 20 30 CFEDHN C#CCN(CC)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000490874218 332123567 /nfs/dbraw/zinc/12/35/67/332123567.db2.gz LRJBOXNTMUORPV-QGZVFWFLSA-N 0 3 273.376 2.700 20 30 CFEDHN C#CCN(Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000490897567 332126907 /nfs/dbraw/zinc/12/69/07/332126907.db2.gz CJFFTBJHKDYJFU-UHFFFAOYSA-N 0 3 292.386 2.974 20 30 CFEDHN C#C[C@H](NC(=O)Nc1cccc(CN(C)C)c1)C(C)C ZINC000491146571 332156406 /nfs/dbraw/zinc/15/64/06/332156406.db2.gz OJMWOTFRASPGDP-HNNXBMFYSA-N 0 3 273.380 2.528 20 30 CFEDHN C#CCNC(=O)CCNC(c1ccccc1)c1ccccc1 ZINC000491164427 332158947 /nfs/dbraw/zinc/15/89/47/332158947.db2.gz BQQGQBRYFJBLLJ-UHFFFAOYSA-N 0 3 292.382 2.505 20 30 CFEDHN C#CCNC(=O)C1CCN(Cc2cccc(CCC)c2)CC1 ZINC000491203080 332165296 /nfs/dbraw/zinc/16/52/96/332165296.db2.gz SDDSRWZCZFZWJI-UHFFFAOYSA-N 0 3 298.430 2.601 20 30 CFEDHN C=C[C@@H](C)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491212021 332167332 /nfs/dbraw/zinc/16/73/32/332167332.db2.gz GFHWUAYIQHWZAV-GFCCVEGCSA-N 0 3 269.348 2.816 20 30 CFEDHN C=C[C@H](C)NCc1cnc(-c2ccccc2OC)nc1 ZINC000491212022 332167342 /nfs/dbraw/zinc/16/73/42/332167342.db2.gz GFHWUAYIQHWZAV-LBPRGKRZSA-N 0 3 269.348 2.816 20 30 CFEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccccc1F ZINC000491267777 332177745 /nfs/dbraw/zinc/17/77/45/332177745.db2.gz VFRGOOXPLADBDB-GFCCVEGCSA-N 0 3 257.312 2.717 20 30 CFEDHN C#C[C@@H](NCc1cnc(-c2ccncc2)s1)C(C)C ZINC000491349698 332194837 /nfs/dbraw/zinc/19/48/37/332194837.db2.gz JRUYEKMGTJYKHG-CQSZACIVSA-N 0 3 271.389 2.953 20 30 CFEDHN C#C[C@@H](C)N(C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000491453747 332214782 /nfs/dbraw/zinc/21/47/82/332214782.db2.gz TWMLEEZTWHSJCQ-CYBMUJFWSA-N 0 3 286.375 2.561 20 30 CFEDHN C#C[C@H](N[C@@H]1C[C@@H](OCC)[C@H]1SC)C(C)(C)C ZINC000491665216 332273862 /nfs/dbraw/zinc/27/38/62/332273862.db2.gz KGVQRBJCMLWERO-NDBYEHHHSA-N 0 3 255.427 2.533 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000491675523 332281168 /nfs/dbraw/zinc/28/11/68/332281168.db2.gz ZIUMWOOHGLHYGI-RDJZCZTQSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@@H]2CC)CC1 ZINC000491675518 332281191 /nfs/dbraw/zinc/28/11/91/332281191.db2.gz ZIUMWOOHGLHYGI-DOTOQJQBSA-N 0 3 290.451 2.664 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000491773723 332339714 /nfs/dbraw/zinc/33/97/14/332339714.db2.gz SGZNQFBVLDIQES-KGLIPLIRSA-N 0 3 269.747 2.760 20 30 CFEDHN C#C[C@H](NC1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000491807500 332360561 /nfs/dbraw/zinc/36/05/61/332360561.db2.gz CARXTAQEGYKRFD-KRWDZBQOSA-N 0 3 272.367 2.716 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000491813319 332365008 /nfs/dbraw/zinc/36/50/08/332365008.db2.gz AJDGYHZXAMSUNL-LLVKDONJSA-N 0 3 294.782 2.631 20 30 CFEDHN C#CCN(C[C@@H]1CC2(CCC2)C(=O)O1)C1CCCCC1 ZINC000491820010 332369881 /nfs/dbraw/zinc/36/98/81/332369881.db2.gz WJEBJPFGOOYFBK-HNNXBMFYSA-N 0 3 275.392 2.740 20 30 CFEDHN CC[C@@H](CC#N)NCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000495847559 332531700 /nfs/dbraw/zinc/53/17/00/332531700.db2.gz GZFZMZUWMPLZIY-LBPRGKRZSA-N 0 3 281.400 2.573 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC12CCN(CCCC#N)CC2 ZINC000496806113 332560755 /nfs/dbraw/zinc/56/07/55/332560755.db2.gz YKRYXGGRFIXZDI-UHFFFAOYSA-N 0 3 293.411 2.766 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC000553392883 334382214 /nfs/dbraw/zinc/38/22/14/334382214.db2.gz IFYAXZOBLYYHIG-INIZCTEOSA-N 0 3 286.419 2.586 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC[C@H](C)C1 ZINC000248556081 334305841 /nfs/dbraw/zinc/30/58/41/334305841.db2.gz KRXRMXUDNGCSBD-LSDHHAIUSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)NC[C@H]1C[C@H]1C)C(C)C ZINC000503440540 332689682 /nfs/dbraw/zinc/68/96/82/332689682.db2.gz NIVCDPVJFISULH-BZUAXINKSA-N 0 3 293.455 2.640 20 30 CFEDHN C#CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CCCC1 ZINC000176379757 333041518 /nfs/dbraw/zinc/04/15/18/333041518.db2.gz UAYDKQKPRPPDMN-QGZVFWFLSA-N 0 3 298.386 2.890 20 30 CFEDHN C=CCOc1ccccc1CNCC(C)(C)C(=O)OC ZINC000312246046 333078783 /nfs/dbraw/zinc/07/87/83/333078783.db2.gz LLCSHMYFPHKFCS-UHFFFAOYSA-N 0 3 277.364 2.540 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000179033679 333079343 /nfs/dbraw/zinc/07/93/43/333079343.db2.gz UKWFHAWTKQIESB-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CCN(CC2CCC2)CC1 ZINC000088523829 333089825 /nfs/dbraw/zinc/08/98/25/333089825.db2.gz WJQDRPBEBYGRLA-KRWDZBQOSA-N 0 3 269.392 2.669 20 30 CFEDHN C=CCCCCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000517503714 333100743 /nfs/dbraw/zinc/10/07/43/333100743.db2.gz SMMZDSAJJAJBNL-UHFFFAOYSA-N 0 3 298.381 2.752 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC[C@H](O)C(F)(F)F ZINC000521030967 333110334 /nfs/dbraw/zinc/11/03/34/333110334.db2.gz KLNUPLQJGYLJLX-STQMWFEESA-N 0 3 273.298 2.687 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(Cl)cn1 ZINC000521162703 333113006 /nfs/dbraw/zinc/11/30/06/333113006.db2.gz DAXOXJAIGQKLON-UHFFFAOYSA-N 0 3 267.804 2.675 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1CCCC[C@@H]1C ZINC000190571225 333208356 /nfs/dbraw/zinc/20/83/56/333208356.db2.gz DXLVAQHOPHUQBA-DZGCQCFKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCCCCN1CCN(C(C)=O)CC1(C)C ZINC000193535772 333252465 /nfs/dbraw/zinc/25/24/65/333252465.db2.gz HVANBFPDBDPDPP-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000195420321 333252624 /nfs/dbraw/zinc/25/26/24/333252624.db2.gz ZJESZEOVWYPUHP-UHFFFAOYSA-N 0 3 292.329 2.908 20 30 CFEDHN CCC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000193631685 333254491 /nfs/dbraw/zinc/25/44/91/333254491.db2.gz RDWLPCOKXQZPPJ-FUHWJXTLSA-N 0 3 299.418 2.926 20 30 CFEDHN C=CCCOCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230935393 333322608 /nfs/dbraw/zinc/32/26/08/333322608.db2.gz ZKFFSHQHAHXKGQ-UHFFFAOYSA-N 0 3 285.771 2.737 20 30 CFEDHN C[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338235384 335135241 /nfs/dbraw/zinc/13/52/41/335135241.db2.gz OHYTWEYZJWCEKP-GOEBONIOSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338235382 335135336 /nfs/dbraw/zinc/13/53/36/335135336.db2.gz OHYTWEYZJWCEKP-GDBMZVCRSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCOc1ccccc1CNCCN1CC[C@H](C)C1 ZINC000524771406 333387842 /nfs/dbraw/zinc/38/78/42/333387842.db2.gz DOBGZENMNRSUAJ-HNNXBMFYSA-N 0 3 274.408 2.683 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)CC[C@@H]2CC)CC1 ZINC000537913720 333429950 /nfs/dbraw/zinc/42/99/50/333429950.db2.gz YRHYVHBECANGML-ZBFHGGJFSA-N 0 3 293.455 2.999 20 30 CFEDHN C=CCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528763482 333455979 /nfs/dbraw/zinc/45/59/79/333455979.db2.gz WOJGOEYOSGQJGP-UHFFFAOYSA-N 0 3 255.365 2.866 20 30 CFEDHN CC#CCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761027 333455997 /nfs/dbraw/zinc/45/59/97/333455997.db2.gz BQDUVGMMWWXHPJ-UHFFFAOYSA-N 0 3 267.376 2.703 20 30 CFEDHN CC[C@@](C)(C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000127062819 333618526 /nfs/dbraw/zinc/61/85/26/333618526.db2.gz RPYDHOGEEOMBKT-KRWDZBQOSA-N 0 3 285.391 2.704 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCC(CC#N)CC2)cc1 ZINC000543831838 333902165 /nfs/dbraw/zinc/90/21/65/333902165.db2.gz FUILBZVFIGJUIS-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN N#CC(C(=O)c1ccc2c(c1)CCCC2)c1ccncn1 ZINC000546858908 334052037 /nfs/dbraw/zinc/05/20/37/334052037.db2.gz RGGRIAVSRFMWAS-HNNXBMFYSA-N 0 3 277.327 2.845 20 30 CFEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CCCC#N)C1 ZINC000133921771 334071375 /nfs/dbraw/zinc/07/13/75/334071375.db2.gz CRKVWYCUPGVDDM-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000076385453 334080091 /nfs/dbraw/zinc/08/00/91/334080091.db2.gz IXYJTLKAKMWHQW-OWCLPIDISA-N 0 3 286.419 2.864 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCCC#N ZINC000134660722 334099460 /nfs/dbraw/zinc/09/94/60/334099460.db2.gz XDYSYWPOZBTJRO-CHWSQXEVSA-N 0 3 281.400 2.668 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)C[C@H]1CCOC1 ZINC000135127477 334116741 /nfs/dbraw/zinc/11/67/41/334116741.db2.gz BDPSTCMUIUVGDE-CYBMUJFWSA-N 0 3 263.768 2.660 20 30 CFEDHN CC#CCCNCc1cnc(-c2ccccc2)nc1 ZINC000548170577 334144540 /nfs/dbraw/zinc/14/45/40/334144540.db2.gz DRJQLRHMXZEHOT-UHFFFAOYSA-N 0 3 251.333 2.647 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2CC(C)(C)C2)CC1 ZINC000548359264 334151862 /nfs/dbraw/zinc/15/18/62/334151862.db2.gz UVNJSYRKPLHBCG-UHFFFAOYSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2cn3ccccc3n2)CC1 ZINC000548385177 334153639 /nfs/dbraw/zinc/15/36/39/334153639.db2.gz RFSQRIZDSKZRCC-CQSZACIVSA-N 0 3 284.407 2.635 20 30 CFEDHN CCC[C@@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000549421044 334193274 /nfs/dbraw/zinc/19/32/74/334193274.db2.gz IKGKHMOYSIEXCH-INIZCTEOSA-N 0 3 285.391 2.704 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000549535885 334196739 /nfs/dbraw/zinc/19/67/39/334196739.db2.gz JRYXQVAMFMWJDD-GUTXKFCHSA-N 0 3 281.363 2.610 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-n2ccnn2)cc1 ZINC000549535887 334196754 /nfs/dbraw/zinc/19/67/54/334196754.db2.gz JRYXQVAMFMWJDD-KCQAQPDRSA-N 0 3 281.363 2.610 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246914732 334271923 /nfs/dbraw/zinc/27/19/23/334271923.db2.gz MSUGRURKHQHIEN-YSVLISHTSA-N 0 3 291.439 2.695 20 30 CFEDHN CN(Cc1ccc2c(c1)OCCO2)[C@@H]1CC[C@H](C#N)C1 ZINC000549741818 334203335 /nfs/dbraw/zinc/20/33/35/334203335.db2.gz SDJDFKKJUYYGGK-GXTWGEPZSA-N 0 3 272.348 2.582 20 30 CFEDHN CCN(CC[C@H](C)N(CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000245743189 334216489 /nfs/dbraw/zinc/21/64/89/334216489.db2.gz FJZQLOPMTBWMBA-PMPSAXMXSA-N 0 3 278.444 2.728 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H](c1ccccc1)N1CCCC1 ZINC000551683445 334257685 /nfs/dbraw/zinc/25/76/85/334257685.db2.gz KEVKDARPYYGGQM-FUHWJXTLSA-N 0 3 296.418 2.857 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000248920250 334321906 /nfs/dbraw/zinc/32/19/06/334321906.db2.gz KSGVJMSKGKDQKW-GZBFAFLISA-N 0 3 252.402 2.530 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[C@H]1O ZINC000249547185 334336168 /nfs/dbraw/zinc/33/61/68/334336168.db2.gz GNNZQUVRPDMQAI-XJKSGUPXSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC000553084991 334360604 /nfs/dbraw/zinc/36/06/04/334360604.db2.gz IRMSNHKYHCBPSJ-OAHLLOKOSA-N 0 3 272.392 2.543 20 30 CFEDHN COc1ccc(CN2CCC(CCC#N)CC2)cc1O ZINC000566247284 334638360 /nfs/dbraw/zinc/63/83/60/334638360.db2.gz KRQAZPZVOHUDEP-UHFFFAOYSA-N 0 3 274.364 2.917 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154403720 334694001 /nfs/dbraw/zinc/69/40/01/334694001.db2.gz ZJPGODCSGRYTNJ-ZDUSSCGKSA-N 0 3 274.408 2.937 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CC(C)C)CC1 ZINC000155711136 334727490 /nfs/dbraw/zinc/72/74/90/334727490.db2.gz DIQNDGVTNIOFSR-CQSZACIVSA-N 0 3 281.444 2.761 20 30 CFEDHN N#CCCCNC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000567710894 334754376 /nfs/dbraw/zinc/75/43/76/334754376.db2.gz VCERYZOPMOIRHL-CYBMUJFWSA-N 0 3 286.297 2.502 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000568152078 334796945 /nfs/dbraw/zinc/79/69/45/334796945.db2.gz VVIHZECSKHBIJY-LBPRGKRZSA-N 0 3 274.364 2.709 20 30 CFEDHN CC[C@@H](CC#N)NCCCOc1ccc(F)cc1 ZINC000568181183 334801125 /nfs/dbraw/zinc/80/11/25/334801125.db2.gz MWCLRJHPUXIQIZ-ZDUSSCGKSA-N 0 3 250.317 2.876 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1cccc2c1CCNC2 ZINC000568369903 334819951 /nfs/dbraw/zinc/81/99/51/334819951.db2.gz FVOFQTCXAHKZNL-CYBMUJFWSA-N 0 3 273.380 2.809 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000576612045 335226524 /nfs/dbraw/zinc/22/65/24/335226524.db2.gz BMCAVFODXAQDMB-BPUTZDHNSA-N 0 3 253.349 2.823 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000576799869 335249105 /nfs/dbraw/zinc/24/91/05/335249105.db2.gz FKDMNRWOEXPPGV-SWLSCSKDSA-N 0 3 274.339 2.909 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@H]1CCOC2(CCCCC2)C1 ZINC000577455341 335353971 /nfs/dbraw/zinc/35/39/71/335353971.db2.gz LVEDEAFIQSFEKW-GJZGRUSLSA-N 0 3 275.396 2.901 20 30 CFEDHN C=C(C)CN[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000179730809 335512770 /nfs/dbraw/zinc/51/27/70/335512770.db2.gz ZXBXLGGEJMZJQP-OAHLLOKOSA-N 0 3 290.407 2.770 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000578337650 335614453 /nfs/dbraw/zinc/61/44/53/335614453.db2.gz MWSGYGXYACZSCR-OAHLLOKOSA-N 0 3 275.396 2.732 20 30 CFEDHN C[C@@H]1CSC[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000367690348 335931054 /nfs/dbraw/zinc/93/10/54/335931054.db2.gz RSWKMGIWQSXOBD-GOTCIRLWSA-N 0 3 272.417 2.951 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](c1ncc(C)s1)C1CC1 ZINC000185370840 335951358 /nfs/dbraw/zinc/95/13/58/335951358.db2.gz RPCGMXKVZAVSIQ-OLZOCXBDSA-N 0 3 266.410 2.819 20 30 CFEDHN C[C@@H](C(=O)NCc1ccc(CC#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000581013729 335996823 /nfs/dbraw/zinc/99/68/23/335996823.db2.gz FICNFVNILCXOHA-KFWWJZLASA-N 0 3 299.418 2.630 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@]2(CCSC2)C1 ZINC000581188928 336021221 /nfs/dbraw/zinc/02/12/21/336021221.db2.gz MRUBEHRRIKHALS-CQSZACIVSA-N 0 3 268.426 2.524 20 30 CFEDHN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000382017800 336079968 /nfs/dbraw/zinc/07/99/68/336079968.db2.gz WUUAQTWQFATEQL-PWSUYJOCSA-N 0 3 288.819 2.974 20 30 CFEDHN C=CCCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000581588957 336107878 /nfs/dbraw/zinc/10/78/78/336107878.db2.gz LNQCYPNUOMGJTR-CYBMUJFWSA-N 0 3 290.367 2.832 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607617 782113370 /nfs/dbraw/zinc/11/33/70/782113370.db2.gz VIMHCPHZWZQWPF-YYIAUSFCSA-N 0 3 288.435 2.698 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085673665 782131959 /nfs/dbraw/zinc/13/19/59/782131959.db2.gz BNKMXFFYQHPBBQ-ISXOHVOVSA-N 0 3 276.424 2.676 20 30 CFEDHN CC(C)[C@@H](O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000305830005 519800715 /nfs/dbraw/zinc/80/07/15/519800715.db2.gz SZQTVSJCUOWLNP-ABAIWWIYSA-N 0 3 264.344 2.755 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001085766692 782154258 /nfs/dbraw/zinc/15/42/58/782154258.db2.gz PIMFJZOTZXGIJE-AWEZNQCLSA-N 0 3 276.380 2.701 20 30 CFEDHN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCC2CC2)cc1 ZINC001085757799 782154284 /nfs/dbraw/zinc/15/42/84/782154284.db2.gz RJHZZDISSQFVKE-SFHVURJKSA-N 0 3 296.414 2.614 20 30 CFEDHN CCCCCCCCCCN1CCNC(=O)CC1 ZINC000740877107 574272370 /nfs/dbraw/zinc/27/23/70/574272370.db2.gz ZXPDAJJJVFWNAP-UHFFFAOYSA-N 0 3 254.418 2.949 20 30 CFEDHN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(C)C#N)C2)cc1 ZINC000428315704 500977898 /nfs/dbraw/zinc/97/78/98/500977898.db2.gz OTLGSZYDZCTRPE-GZBFAFLISA-N 0 3 256.349 2.859 20 30 CFEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)[C@H]1C ZINC000330252246 533816291 /nfs/dbraw/zinc/81/62/91/533816291.db2.gz IGBYXKGEKOQJIS-ASTVBFLASA-N 0 3 294.439 2.925 20 30 CFEDHN Cc1ccc(CN(C(=O)C(C)C#N)C2CC2)cc1C ZINC000354613537 533839239 /nfs/dbraw/zinc/83/92/39/533839239.db2.gz JWYDUMSYESVOJE-ZDUSSCGKSA-N 0 3 256.349 2.954 20 30 CFEDHN Cc1cc(N[C@@H]2CCN(C(C)C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413088653 534003861 /nfs/dbraw/zinc/00/38/61/534003861.db2.gz VSHKKZRBHIJGRO-CYBMUJFWSA-N 0 3 288.351 2.670 20 30 CFEDHN C[C@@H](CNc1ncc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000413054894 534097023 /nfs/dbraw/zinc/09/70/23/534097023.db2.gz PIFAQMDGPWGGOO-RYUDHWBXSA-N 0 3 276.359 2.767 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1noc2c1CCCC2 ZINC000330211563 534144573 /nfs/dbraw/zinc/14/45/73/534144573.db2.gz JHOQNTWHYIYPJI-VXGBXAGGSA-N 0 3 291.395 2.883 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000330287438 534227266 /nfs/dbraw/zinc/22/72/66/534227266.db2.gz BERVCQDGKVTYGT-BETUJISGSA-N 0 3 299.378 2.728 20 30 CFEDHN CC(C#N)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000347038654 534283370 /nfs/dbraw/zinc/28/33/70/534283370.db2.gz PFKYAFMNXPYHEB-SNVBAGLBSA-N 0 3 271.345 2.586 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000347101167 534283822 /nfs/dbraw/zinc/28/38/22/534283822.db2.gz GQFZONKGQMYFOF-ZJUUUORDSA-N 0 3 286.360 2.542 20 30 CFEDHN CC(C)[C@@H](O)C(C)(C)CNCc1cc(C#N)cs1 ZINC000305247482 519800100 /nfs/dbraw/zinc/80/01/00/519800100.db2.gz FKCRNJHSTMNXAL-CYBMUJFWSA-N 0 3 266.410 2.752 20 30 CFEDHN CCCNC(=O)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360837726 519872658 /nfs/dbraw/zinc/87/26/58/519872658.db2.gz RAROHDXDFCSINX-QGZVFWFLSA-N 0 3 299.418 2.832 20 30 CFEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)CC(C)(C)C ZINC000336829434 520358700 /nfs/dbraw/zinc/35/87/00/520358700.db2.gz AIZGOKRCVKSAOY-UHFFFAOYSA-N 0 3 273.380 2.865 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C1(C)C ZINC000226266554 520367314 /nfs/dbraw/zinc/36/73/14/520367314.db2.gz BLZPNBSVONXISQ-CHWSQXEVSA-N 0 3 264.394 2.913 20 30 CFEDHN CCOC(=O)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000155714861 521119130 /nfs/dbraw/zinc/11/91/30/521119130.db2.gz NTUYOERLUVCGFU-CZUORRHYSA-N 0 3 286.375 2.894 20 30 CFEDHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360307308 521632051 /nfs/dbraw/zinc/63/20/51/521632051.db2.gz ARNXSURRUJUSTA-RHSMWYFYSA-N 0 3 299.418 2.604 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cc(C#N)n(C)c1 ZINC000191447161 521700706 /nfs/dbraw/zinc/70/07/06/521700706.db2.gz JTCYXXXAQNJISR-JKSUJKDBSA-N 0 3 289.423 2.922 20 30 CFEDHN CCN1CC[C@H](N(C)C(=O)c2sccc2C#N)C[C@@H]1C ZINC000335170091 521719176 /nfs/dbraw/zinc/71/91/76/521719176.db2.gz PEEFESSBWJOAQH-AAEUAGOBSA-N 0 3 291.420 2.565 20 30 CFEDHN CN(C)CCN(c1ccc(Cl)c(C#N)n1)C1CCCC1 ZINC000360077858 521753063 /nfs/dbraw/zinc/75/30/63/521753063.db2.gz ZQVYXXYTTNQISB-UHFFFAOYSA-N 0 3 292.814 2.917 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)c2cccc(C#N)c2)c1 ZINC000047453013 521931713 /nfs/dbraw/zinc/93/17/13/521931713.db2.gz REZVUUKCFXIPBZ-UHFFFAOYSA-N 0 3 279.343 2.872 20 30 CFEDHN CCc1cnc(CNCCc2cccc(C#N)c2)s1 ZINC000341483266 522037145 /nfs/dbraw/zinc/03/71/45/522037145.db2.gz KAHDGRQIXQJIOZ-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN COc1cc(CN2C[C@H]3CCCCN3C[C@@H]2C)ccc1C#N ZINC000318422143 522405776 /nfs/dbraw/zinc/40/57/76/522405776.db2.gz MQBDRJHWDBRNHN-WMLDXEAASA-N 0 3 299.418 2.625 20 30 CFEDHN COc1cc(CN[C@@H](C)c2cc[nH]c(=O)c2)ccc1C#N ZINC000339457809 522478102 /nfs/dbraw/zinc/47/81/02/522478102.db2.gz ZSCXRNBLSWOLFM-NSHDSACASA-N 0 3 283.331 2.518 20 30 CFEDHN Cc1[nH]cnc1CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352207362 534718062 /nfs/dbraw/zinc/71/80/62/534718062.db2.gz WTTZCZRVIPLESZ-HNNXBMFYSA-N 0 3 296.374 2.812 20 30 CFEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@H]1CC[C@H](C)C1 ZINC000361644903 523739199 /nfs/dbraw/zinc/73/91/99/523739199.db2.gz BUQLQFVCFIRYGP-ZFWWWQNUSA-N 0 3 275.396 2.534 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCc1cccc(C#N)c1F ZINC000361747689 523968148 /nfs/dbraw/zinc/96/81/48/523968148.db2.gz CXSCQFTYGQPGEH-KGLIPLIRSA-N 0 3 262.328 2.745 20 30 CFEDHN COc1ccc(CN(C)C[C@H]2CCCC[C@@H]2O)cc1C#N ZINC000305810956 524004139 /nfs/dbraw/zinc/00/41/39/524004139.db2.gz MDYFXBWJTQHVSK-ZBFHGGJFSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)C[C@@H]1C ZINC000161847295 524506807 /nfs/dbraw/zinc/50/68/07/524506807.db2.gz OPKFLJJDARTIRC-KGLIPLIRSA-N 0 3 258.365 2.915 20 30 CFEDHN Cc1cccc(N2CCC(NCc3ccc(C#N)o3)CC2)n1 ZINC000174404937 524541984 /nfs/dbraw/zinc/54/19/84/524541984.db2.gz AAGBKYQPPJIISB-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](C)N1C ZINC000162938356 524614390 /nfs/dbraw/zinc/61/43/90/524614390.db2.gz QAKJLBQWPVMOEC-RYUDHWBXSA-N 0 3 277.799 2.736 20 30 CFEDHN C[C@@H](Cn1cncn1)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360662563 524971408 /nfs/dbraw/zinc/97/14/08/524971408.db2.gz GZYSCAFCPWUHJA-GUYCJALGSA-N 0 3 295.390 2.596 20 30 CFEDHN C[C@@H](NCc1cccc(CO)c1)c1cccc(C#N)c1 ZINC000224628851 525533226 /nfs/dbraw/zinc/53/32/26/525533226.db2.gz BLOGSOOPFXXFAY-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)[C@H](O)Cc1ccccc1 ZINC000305182018 525534208 /nfs/dbraw/zinc/53/42/08/525534208.db2.gz HSZNICOZCKJMSX-RDTXWAMCSA-N 0 3 280.371 2.640 20 30 CFEDHN C[C@H](N[C@@H](CO)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000158243922 525540065 /nfs/dbraw/zinc/54/00/65/525540065.db2.gz SOFJTRHWUARTHM-XJKSGUPXSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@H](N[C@@H]1CCc2c[nH]nc2C1)c1ccc(C#N)s1 ZINC000362033559 525581573 /nfs/dbraw/zinc/58/15/73/525581573.db2.gz UUJSUTUAFCBZHF-GXSJLCMTSA-N 0 3 272.377 2.551 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000300415534 525626528 /nfs/dbraw/zinc/62/65/28/525626528.db2.gz VVRIWGBHAVKQTR-UVBJJODRSA-N 0 3 256.349 2.776 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000361840716 525849964 /nfs/dbraw/zinc/84/99/64/525849964.db2.gz XALUWLKRIWMWRT-BFQNTYOBSA-N 0 3 276.355 2.679 20 30 CFEDHN C[C@H](C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000360275264 525945734 /nfs/dbraw/zinc/94/57/34/525945734.db2.gz AEJNZASUKNGTDP-ZQIUZPCESA-N 0 3 299.418 2.603 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066161418 526001404 /nfs/dbraw/zinc/00/14/04/526001404.db2.gz RWTCUHCIOFDCKT-HNNXBMFYSA-N 0 3 298.390 2.569 20 30 CFEDHN CC#CCCN(C)CCc1nc(-c2ccccc2)no1 ZINC000352807090 526305775 /nfs/dbraw/zinc/30/57/75/526305775.db2.gz WBGKBKJBHGZTBB-UHFFFAOYSA-N 0 3 269.348 2.624 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN(C)CCC ZINC000352190544 526564038 /nfs/dbraw/zinc/56/40/38/526564038.db2.gz OPHLQOLOKOFQAL-UHFFFAOYSA-N 0 3 274.408 2.933 20 30 CFEDHN N#Cc1cc(NCCN2CCCC2)nc2ccccc12 ZINC000068770518 526571555 /nfs/dbraw/zinc/57/15/55/526571555.db2.gz JMAGRSUOMQLTOS-UHFFFAOYSA-N 0 3 266.348 2.614 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(F)c2)CC1 ZINC000106038533 526600529 /nfs/dbraw/zinc/60/05/29/526600529.db2.gz UIPPIPFSRAKWTG-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN N#Cc1ccc(CN2CCN(CC3CC3)CC2)c(Cl)c1 ZINC000162880641 526614765 /nfs/dbraw/zinc/61/47/65/526614765.db2.gz YVVWVUKULFMTFF-UHFFFAOYSA-N 0 3 289.810 2.739 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000316712620 526623078 /nfs/dbraw/zinc/62/30/78/526623078.db2.gz ZYIWMVASTMCEGG-UHFFFAOYSA-N 0 3 299.305 2.938 20 30 CFEDHN N#Cc1ccc(CNCCC(=O)Nc2ccccc2)cc1 ZINC000077170697 526623550 /nfs/dbraw/zinc/62/35/50/526623550.db2.gz UJVKJFGNCDWXGR-UHFFFAOYSA-N 0 3 279.343 2.677 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000353622311 526655907 /nfs/dbraw/zinc/65/59/07/526655907.db2.gz NTDZRZRPNOBMNA-LLVKDONJSA-N 0 3 283.393 2.778 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@]3(CCOC3)C2)c1 ZINC000336223105 526704358 /nfs/dbraw/zinc/70/43/58/526704358.db2.gz CPOPPCUFTLSSFU-INIZCTEOSA-N 0 3 256.349 2.561 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000334945749 526734846 /nfs/dbraw/zinc/73/48/46/526734846.db2.gz TWKOGVJRHYLLBU-HZPDHXFCSA-N 0 3 256.349 2.559 20 30 CFEDHN C=C(CC)CN[C@H](C[S@](C)=O)c1ccccc1 ZINC000347640659 526861356 /nfs/dbraw/zinc/86/13/56/526861356.db2.gz QCFGKIIOWDWZCC-PBHICJAKSA-N 0 3 251.395 2.662 20 30 CFEDHN C=C(CNCc1cc(C(=O)OC)n(C)c1)c1ccccc1 ZINC000347827269 526881827 /nfs/dbraw/zinc/88/18/27/526881827.db2.gz MHFOFZCMJJHYCE-UHFFFAOYSA-N 0 3 284.359 2.615 20 30 CFEDHN C=CCOc1cccc(CNCC2(C(=O)OCC)CC2)c1 ZINC000351940474 526902360 /nfs/dbraw/zinc/90/23/60/526902360.db2.gz DPLFMBFKZGECHD-UHFFFAOYSA-N 0 3 289.375 2.684 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H]1CC(=O)OC ZINC000353756985 526932227 /nfs/dbraw/zinc/93/22/27/526932227.db2.gz XPTHDHVWJPFHCD-HNNXBMFYSA-N 0 3 289.375 2.779 20 30 CFEDHN C=CC[C@@H](CO)CNc1ccnc2ccc(C)cc21 ZINC000354577625 527055950 /nfs/dbraw/zinc/05/59/50/527055950.db2.gz XJYJLWMVBCKSTC-CYBMUJFWSA-N 0 3 256.349 2.562 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc2ccc(OC)cc2s1 ZINC000353194786 527079648 /nfs/dbraw/zinc/07/96/48/527079648.db2.gz SUERZOQITMQLMI-LLVKDONJSA-N 0 3 292.404 2.579 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1ccc(OC)nc1OC ZINC000353559967 527139032 /nfs/dbraw/zinc/13/90/32/527139032.db2.gz MOWDXLUCFSSHAG-NWDGAFQWSA-N 0 3 264.369 2.789 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@H]21 ZINC000353043573 527266050 /nfs/dbraw/zinc/26/60/50/527266050.db2.gz ZPDCXGLFADMAFH-BRWVUGGUSA-N 0 3 287.403 2.639 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000417971601 527266270 /nfs/dbraw/zinc/26/62/70/527266270.db2.gz ANIJVINVKIVBRB-CYBMUJFWSA-N 0 3 287.407 2.834 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000353563560 527444115 /nfs/dbraw/zinc/44/41/15/527444115.db2.gz FOLRBPRIOYMYGX-DYVFJYSZSA-N 0 3 268.360 2.946 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000347284389 527522540 /nfs/dbraw/zinc/52/25/40/527522540.db2.gz BRQZHQLEEUFJSR-HOCLYGCPSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccccc1SCC ZINC000353565645 527593356 /nfs/dbraw/zinc/59/33/56/527593356.db2.gz BIJWNECDOJLPII-NWDGAFQWSA-N 0 3 251.395 2.996 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(C)C#N ZINC000347110396 527944569 /nfs/dbraw/zinc/94/45/69/527944569.db2.gz CJSILOOFKQMNEF-ZDUSSCGKSA-N 0 3 269.348 2.703 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(C)C#N ZINC000347110388 527945022 /nfs/dbraw/zinc/94/50/22/527945022.db2.gz CJSILOOFKQMNEF-CYBMUJFWSA-N 0 3 269.348 2.703 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085790414 782166557 /nfs/dbraw/zinc/16/65/57/782166557.db2.gz JTAUJXCOVZTCOF-GFCCVEGCSA-N 0 3 294.345 2.687 20 30 CFEDHN CC(C)c1nc([C@@H]2CCCCCN2C(=O)C(C)C#N)no1 ZINC000355059945 528304115 /nfs/dbraw/zinc/30/41/15/528304115.db2.gz OSVXTUIAHDEQEQ-RYUDHWBXSA-N 0 3 290.367 2.796 20 30 CFEDHN CCCCN(C)CCNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000347522499 528347876 /nfs/dbraw/zinc/34/78/76/528347876.db2.gz QYWFVGSRJCHHRD-UHFFFAOYSA-N 0 3 299.418 2.703 20 30 CFEDHN CCCCNC(=O)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534158 528495972 /nfs/dbraw/zinc/49/59/72/528495972.db2.gz LNWQXEIMIPYRLW-AWEZNQCLSA-N 0 3 287.407 2.857 20 30 CFEDHN CCN1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000353862970 528980206 /nfs/dbraw/zinc/98/02/06/528980206.db2.gz ZGMINOYUDKDZRX-INIZCTEOSA-N 0 3 299.418 2.674 20 30 CFEDHN CC[C@H]1CCN1C(=O)C(C#N)CCc1ccccc1 ZINC000347627213 529243182 /nfs/dbraw/zinc/24/31/82/529243182.db2.gz TXTDXJISRDSBNV-CABCVRRESA-N 0 3 256.349 2.770 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@@H]2CCO[C@H]21 ZINC000269422084 535072644 /nfs/dbraw/zinc/07/26/44/535072644.db2.gz LZZMNPSTQLLRGR-NWANDNLSSA-N 0 3 274.339 2.600 20 30 CFEDHN COC[C@H]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000449781800 536527592 /nfs/dbraw/zinc/52/75/92/536527592.db2.gz XYOOQNGTACNXBP-AWEZNQCLSA-N 0 3 258.365 2.807 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085802844 782169156 /nfs/dbraw/zinc/16/91/56/782169156.db2.gz CTQXDOYWVQCNAG-UXLLHSPISA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804488 782170397 /nfs/dbraw/zinc/17/03/97/782170397.db2.gz KTBZCNFRSMPVLT-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccs1 ZINC000753935310 574056031 /nfs/dbraw/zinc/05/60/31/574056031.db2.gz NLXLOMBTZVUFRK-VXGBXAGGSA-N 0 3 276.409 2.722 20 30 CFEDHN C[C@@H]1CC(N=Nc2nncc3ccccc32)CN1C1CC1 ZINC000753955215 574058516 /nfs/dbraw/zinc/05/85/16/574058516.db2.gz LCZRTFNWGJECRT-LLVKDONJSA-N 0 3 281.363 2.654 20 30 CFEDHN CC(=NNC1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000727652095 574058870 /nfs/dbraw/zinc/05/88/70/574058870.db2.gz IRKCBYNGTZORMD-UHFFFAOYSA-N 0 3 287.407 2.779 20 30 CFEDHN N#CC(C(=O)C[C@H]1CCOC1)c1nccc2ccccc21 ZINC000754010648 574063602 /nfs/dbraw/zinc/06/36/02/574063602.db2.gz SDNFWJDRWADDOA-DOMZBBRYSA-N 0 3 280.327 2.838 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000754044762 574065327 /nfs/dbraw/zinc/06/53/27/574065327.db2.gz YWVOTOZSHHUTAO-BXUZGUMPSA-N 0 3 271.364 2.655 20 30 CFEDHN CCCCCCCC(=O)NCCN1CCC[C@@H]1C ZINC000744346581 574069605 /nfs/dbraw/zinc/06/96/05/574069605.db2.gz ZRBBKVVHEAGQSK-AWEZNQCLSA-N 0 3 254.418 2.947 20 30 CFEDHN CCCCCCCC(=O)NCCN1CCC[C@H]1C ZINC000744346582 574069790 /nfs/dbraw/zinc/06/97/90/574069790.db2.gz ZRBBKVVHEAGQSK-CQSZACIVSA-N 0 3 254.418 2.947 20 30 CFEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CCC1 ZINC000744410053 574072662 /nfs/dbraw/zinc/07/26/62/574072662.db2.gz ODMSNBCKSITSKR-GFCCVEGCSA-N 0 3 299.399 2.957 20 30 CFEDHN CCc1ccc([C@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000727955133 574074721 /nfs/dbraw/zinc/07/47/21/574074721.db2.gz YVMZQDMPOVAGRE-SWLSCSKDSA-N 0 3 286.375 2.586 20 30 CFEDHN C[C@H]1CC(N=Nc2cc(F)cc(F)c2)CN1C1CC1 ZINC000753960652 574083758 /nfs/dbraw/zinc/08/37/58/574083758.db2.gz TVFFUHNGKCUVIM-VIFPVBQESA-N 0 3 265.307 2.989 20 30 CFEDHN CC(C)N1CC(N=Nc2ccnc3ccccc23)[C@@H](C)C1 ZINC000754256520 574084425 /nfs/dbraw/zinc/08/44/25/574084425.db2.gz AVFUFNCDNIGGBO-ZDUSSCGKSA-N 0 3 282.391 2.785 20 30 CFEDHN CC(C)(C#N)CCN[C@H](CCO)c1cccs1 ZINC000754389338 574093410 /nfs/dbraw/zinc/09/34/10/574093410.db2.gz RFHOSUJXHWZIGE-LLVKDONJSA-N 0 3 252.383 2.701 20 30 CFEDHN CCC(Cc1ccc(Cl)cc1Cl)N=NC(=N)N ZINC000730945328 574104531 /nfs/dbraw/zinc/10/45/31/574104531.db2.gz FYLHNVSKETVFNG-UHFFFAOYSA-N 0 3 273.167 2.785 20 30 CFEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000728766535 574107227 /nfs/dbraw/zinc/10/72/27/574107227.db2.gz BFVKEGXHMLOHCP-DTWKUNHWSA-N 0 3 296.779 2.739 20 30 CFEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000728766537 574107249 /nfs/dbraw/zinc/10/72/49/574107249.db2.gz BFVKEGXHMLOHCP-RKDXNWHRSA-N 0 3 296.779 2.739 20 30 CFEDHN CCCCCCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000731018654 574107400 /nfs/dbraw/zinc/10/74/00/574107400.db2.gz WRNBVQJOFLZUJT-HNNXBMFYSA-N 0 3 266.429 2.947 20 30 CFEDHN C=CCN(C(=O)NCCN1CCCC[C@H]1CC)C(C)C ZINC000737066866 574107421 /nfs/dbraw/zinc/10/74/21/574107421.db2.gz LNCWSXFJYPDRIP-OAHLLOKOSA-N 0 3 281.444 2.857 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C)s1 ZINC000754667689 574112152 /nfs/dbraw/zinc/11/21/52/574112152.db2.gz AOVYFWVTWJKBEE-DGCLKSJQSA-N 0 3 293.436 2.715 20 30 CFEDHN C=CCc1cc(C[N@@H+]2CC[C@@H](C)C2)c([O-])c(OC)c1 ZINC000754729605 574116932 /nfs/dbraw/zinc/11/69/32/574116932.db2.gz CGVAJPJJSTZXOX-GFCCVEGCSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(C[N@H+]2CC[C@@H](C)C2)c([O-])c(OC)c1 ZINC000754729605 574116933 /nfs/dbraw/zinc/11/69/33/574116933.db2.gz CGVAJPJJSTZXOX-GFCCVEGCSA-N 0 3 261.365 2.971 20 30 CFEDHN N#CCOc1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000731354514 574117727 /nfs/dbraw/zinc/11/77/27/574117727.db2.gz JFXFBGMMYDVXQG-UHFFFAOYSA-N 0 3 296.374 2.623 20 30 CFEDHN C[C@H]1CC(=NNCc2cccc(Cl)c2)CCN1C ZINC000756827609 574131966 /nfs/dbraw/zinc/13/19/66/574131966.db2.gz PWLOCTITAJNQDZ-NSHDSACASA-N 0 3 265.788 2.900 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000746214957 574140554 /nfs/dbraw/zinc/14/05/54/574140554.db2.gz HDIFNGGFNFSJCP-ZIAGYGMSSA-N 0 3 270.376 2.504 20 30 CFEDHN CCCCCCCC(=O)N1CCC(OCCN(C)C)CC1 ZINC000732681874 574165827 /nfs/dbraw/zinc/16/58/27/574165827.db2.gz SUHPABIAUQIREW-UHFFFAOYSA-N 0 3 298.471 2.916 20 30 CFEDHN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000755597710 574170129 /nfs/dbraw/zinc/17/01/29/574170129.db2.gz HGFSCCAFJSTIOT-OLZOCXBDSA-N 0 3 278.396 2.780 20 30 CFEDHN CN(C)CCOc1ccc(C=NO[C@H]2CCCCO2)cc1 ZINC000755816892 574189160 /nfs/dbraw/zinc/18/91/60/574189160.db2.gz WZZITOLJSHKUAE-INIZCTEOSA-N 0 3 292.379 2.504 20 30 CFEDHN CCN(CC)CC#C[C@H](C)OC(=O)C1=C(C)CCC1 ZINC000747258498 574189175 /nfs/dbraw/zinc/18/91/75/574189175.db2.gz MBBHOLARXRKVTP-AWEZNQCLSA-N 0 3 263.381 2.764 20 30 CFEDHN C#CCNC(=O)CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531534 574200245 /nfs/dbraw/zinc/20/02/45/574200245.db2.gz BMZWQLFQBKDQPC-QWHCGFSZSA-N 0 3 292.810 2.513 20 30 CFEDHN CCC/C=C\C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000729348292 574201904 /nfs/dbraw/zinc/20/19/04/574201904.db2.gz WMJYYHVGAZWDFK-POHAHGRESA-N 0 3 299.418 2.805 20 30 CFEDHN Cc1ccc(N2CCN(C(=O)C(C)C#N)[C@H](C)C2)cc1C ZINC000747923576 574220279 /nfs/dbraw/zinc/22/02/79/574220279.db2.gz ACBGWLUCXURFKL-LSDHHAIUSA-N 0 3 285.391 2.500 20 30 CFEDHN C=CCN1CCC(/N=C\c2ccc(OCC)cc2O)CC1 ZINC000729936290 574239024 /nfs/dbraw/zinc/23/90/24/574239024.db2.gz OEFXIVZFGFWDMR-AQTBWJFISA-N 0 3 288.391 2.860 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCC1=NNCC(F)F ZINC000740616040 574258083 /nfs/dbraw/zinc/25/80/83/574258083.db2.gz CYIFQNZPZMDLTC-LBPRGKRZSA-N 0 3 281.350 2.739 20 30 CFEDHN COCCON=C1CCN(Cc2ccccc2)C[C@@H]1C ZINC000748789226 574266656 /nfs/dbraw/zinc/26/66/56/574266656.db2.gz DXBTWKSFBGBAFX-AWEZNQCLSA-N 0 3 276.380 2.547 20 30 CFEDHN COCCON=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000748792341 574267058 /nfs/dbraw/zinc/26/70/58/574267058.db2.gz ZKVQFUFYRPCWHR-CZDHHNPESA-N 0 3 274.364 2.947 20 30 CFEDHN CCCCCCCCN(C)CC(=O)N1CCCC1 ZINC000740873683 574271741 /nfs/dbraw/zinc/27/17/41/574271741.db2.gz VHAXTKQUGCHNKL-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN C=CCCCC(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000749029324 574277231 /nfs/dbraw/zinc/27/72/31/574277231.db2.gz ORDOOEIYQAQEFE-SNVBAGLBSA-N 0 3 292.360 2.852 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)C2CC2)cc1Cl ZINC000734161006 574277476 /nfs/dbraw/zinc/27/74/76/574277476.db2.gz KDSMVTVMXDDNOW-CQSZACIVSA-N 0 3 281.783 2.765 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)[C@@H](O)c1cccc(F)c1 ZINC000749120801 574281295 /nfs/dbraw/zinc/28/12/95/574281295.db2.gz WZWUJYXFEZGUKP-YVEFUNNKSA-N 0 3 284.334 2.909 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCC1N=Nc1cnccn1 ZINC000734365069 574283850 /nfs/dbraw/zinc/28/38/50/574283850.db2.gz AUJZJVUIMBGWLC-AWEZNQCLSA-N 0 3 295.390 2.787 20 30 CFEDHN C[C@@H]1CC(N=Nc2ncccc2Cl)CCN1C ZINC000741461706 574291335 /nfs/dbraw/zinc/29/13/35/574291335.db2.gz PDHILWXQMFDKOK-SECBINFHSA-N 0 3 252.749 2.617 20 30 CFEDHN C[C@H]1CC(N=Nc2ncccc2Cl)CCN1C ZINC000741461707 574291369 /nfs/dbraw/zinc/29/13/69/574291369.db2.gz PDHILWXQMFDKOK-VIFPVBQESA-N 0 3 252.749 2.617 20 30 CFEDHN C[C@H]1CC(N=Nc2cccc(C(F)(F)F)n2)CCN1C ZINC000741460183 574291382 /nfs/dbraw/zinc/29/13/82/574291382.db2.gz JZMNOCSLQHMLKK-VIFPVBQESA-N 0 3 286.301 2.982 20 30 CFEDHN C[C@H]1CC(N=Nc2ccnc3ccccc23)CCN1C ZINC000741463595 574291908 /nfs/dbraw/zinc/29/19/08/574291908.db2.gz FAWFLKTWVMTFEC-LBPRGKRZSA-N 0 3 268.364 2.539 20 30 CFEDHN C#CCN(Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000749514033 574298345 /nfs/dbraw/zinc/29/83/45/574298345.db2.gz HPQBHGCXVWTDGP-UHFFFAOYSA-N 0 3 253.349 2.721 20 30 CFEDHN C=C1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741783590 574303377 /nfs/dbraw/zinc/30/33/77/574303377.db2.gz BKNRZTAOVKCKHE-AWEZNQCLSA-N 0 3 280.412 2.895 20 30 CFEDHN C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000725803753 574311816 /nfs/dbraw/zinc/31/18/16/574311816.db2.gz OWOALSQHJRRIKT-NWDGAFQWSA-N 0 3 299.399 2.814 20 30 CFEDHN COc1cccc([O-])c1/C=N\[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749843739 574311938 /nfs/dbraw/zinc/31/19/38/574311938.db2.gz GCERWLZWQCKXQG-AACANCPSSA-N 0 3 276.380 2.693 20 30 CFEDHN COc1cccc([O-])c1/C=N/[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749843741 574312036 /nfs/dbraw/zinc/31/20/36/574312036.db2.gz GCERWLZWQCKXQG-MDDWGPDPSA-N 0 3 276.380 2.693 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=CC(C)(C)C)nc(C)n1 ZINC000735209435 574316971 /nfs/dbraw/zinc/31/69/71/574316971.db2.gz WNNHFZJYCPCERT-NNNHXZLVSA-N 0 3 257.337 2.872 20 30 CFEDHN COCCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735309961 574320283 /nfs/dbraw/zinc/32/02/83/574320283.db2.gz NTYPOFOGJVUVST-UHFFFAOYSA-N 0 3 282.771 2.711 20 30 CFEDHN COCC(C)(C)NCc1cc(Cl)ccc1OCC#N ZINC000735364597 574322169 /nfs/dbraw/zinc/32/21/69/574322169.db2.gz UUGRJZQXQJWWJX-UHFFFAOYSA-N 0 3 282.771 2.757 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C(/C)C(C)(C)C)CC1 ZINC000742642706 574337600 /nfs/dbraw/zinc/33/76/00/574337600.db2.gz KGJJTJRCVJLXPM-SEYXRHQNSA-N 0 3 264.413 2.745 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccnc3)nc21 ZINC000735916538 574342896 /nfs/dbraw/zinc/34/28/96/574342896.db2.gz WOBDRSULODWTRM-CYBMUJFWSA-N 0 3 290.326 2.685 20 30 CFEDHN Cc1c(N=NC2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000755890206 574360838 /nfs/dbraw/zinc/36/08/38/574360838.db2.gz QPBVFHFJXQHCJK-SNVBAGLBSA-N 0 3 288.351 2.785 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000743491148 574366948 /nfs/dbraw/zinc/36/69/48/574366948.db2.gz ZACVKEDQEAWXPJ-INIZCTEOSA-N 0 3 298.430 2.702 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CC[C@@H]3CCOC3)nc21 ZINC000751846650 574383702 /nfs/dbraw/zinc/38/37/02/574383702.db2.gz ZVUTXAPLNCPSCD-OLZOCXBDSA-N 0 3 297.358 2.864 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)CC[C@@H]3CCOC3)[nH]c21 ZINC000751846650 574383703 /nfs/dbraw/zinc/38/37/03/574383703.db2.gz ZVUTXAPLNCPSCD-OLZOCXBDSA-N 0 3 297.358 2.864 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1cc(C#N)ccc1C ZINC000935934253 649962572 /nfs/dbraw/zinc/96/25/72/649962572.db2.gz DZPXAGUWYPJXBO-UHFFFAOYSA-N 0 3 299.418 2.815 20 30 CFEDHN CC[C@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900618102 620696197 /nfs/dbraw/zinc/69/61/97/620696197.db2.gz VHBAZRCNJMOILJ-LBPRGKRZSA-N 0 3 261.373 2.552 20 30 CFEDHN C#Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1 ZINC000900695653 620700218 /nfs/dbraw/zinc/70/02/18/620700218.db2.gz UGEAEKXJRBMYJU-UHFFFAOYSA-N 0 3 298.430 2.860 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccc(C(C)(C)CC)cc2)C1 ZINC000969032288 612965474 /nfs/dbraw/zinc/96/54/74/612965474.db2.gz MZCXHFIHCMRUDI-QGZVFWFLSA-N 0 3 298.430 2.812 20 30 CFEDHN C#CCCN1CCCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000981595028 613002774 /nfs/dbraw/zinc/00/27/74/613002774.db2.gz BXCGRZIYEZNJMP-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607002 613014457 /nfs/dbraw/zinc/01/44/57/613014457.db2.gz NDFFQOJREYNGIK-QAPCUYQASA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968340511 613015611 /nfs/dbraw/zinc/01/56/11/613015611.db2.gz PVRDAIZWYSOXEJ-CRAIPNDOSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607001 613024978 /nfs/dbraw/zinc/02/49/78/613024978.db2.gz NDFFQOJREYNGIK-MAUKXSAKSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977527384 613032391 /nfs/dbraw/zinc/03/23/91/613032391.db2.gz BIQIQZHZZRFAOQ-QGZVFWFLSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972973214 613036936 /nfs/dbraw/zinc/03/69/36/613036936.db2.gz OCPNYCORNILQOA-INIZCTEOSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975012298 613037097 /nfs/dbraw/zinc/03/70/97/613037097.db2.gz ZFLVJHPYWSECIH-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2cscc2C)CC1 ZINC000948276755 613163876 /nfs/dbraw/zinc/16/38/76/613163876.db2.gz AABQIKCAFDLGPM-CQSZACIVSA-N 0 3 290.432 2.616 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](C)C1 ZINC000942133648 613223093 /nfs/dbraw/zinc/22/30/93/613223093.db2.gz FHTHIAZHQAIJEX-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCCCC2)C[C@H]1C ZINC000947753237 613225083 /nfs/dbraw/zinc/22/50/83/613225083.db2.gz CUKQDMMOEUIHQQ-NVXWUHKLSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)CC2CCCCCC2)[C@H](C)C1 ZINC000943211574 613225200 /nfs/dbraw/zinc/22/52/00/613225200.db2.gz ZWOGYVOIVGHFSI-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C[C@@H]1C ZINC000948061791 613235001 /nfs/dbraw/zinc/23/50/01/613235001.db2.gz ZIJKHUWEFOSIBG-KBXCAEBGSA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2)C[C@H]1C ZINC000947962240 613237041 /nfs/dbraw/zinc/23/70/41/613237041.db2.gz LLTVPXJFUCRTRR-IUODEOHRSA-N 0 3 290.794 2.556 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)C[C@@H]1C ZINC000947399216 613257294 /nfs/dbraw/zinc/25/72/94/613257294.db2.gz DKVUBTCCZUHECH-HOTGVXAUSA-N 0 3 290.451 2.949 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000970759321 613298949 /nfs/dbraw/zinc/29/89/49/613298949.db2.gz GBHUMSHEBNBXMM-FHLIZLRMSA-N 0 3 298.430 2.803 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000970203383 613298977 /nfs/dbraw/zinc/29/89/77/613298977.db2.gz ZLVRUOTYAGWSKP-YQFWSFKMSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC000970079319 613299409 /nfs/dbraw/zinc/29/94/09/613299409.db2.gz LMOBSIZXKKRUAV-CYBMUJFWSA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC000970887429 613300441 /nfs/dbraw/zinc/30/04/41/613300441.db2.gz SJILCTJQFPRASP-CQSZACIVSA-N 0 3 289.423 2.695 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC000970785136 613300540 /nfs/dbraw/zinc/30/05/40/613300540.db2.gz XTLCPKOIXQWYNW-GFCCVEGCSA-N 0 3 292.810 2.966 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970163100 613301582 /nfs/dbraw/zinc/30/15/82/613301582.db2.gz LKJLRUVDBQNGHR-AWEZNQCLSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970299678 613301811 /nfs/dbraw/zinc/30/18/11/613301811.db2.gz IBQDJJAZDAJULW-ZDUSSCGKSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970768824 613301891 /nfs/dbraw/zinc/30/18/91/613301891.db2.gz JSZMDCUQAFWPGI-KKUMJFAQSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970939834 613302122 /nfs/dbraw/zinc/30/21/22/613302122.db2.gz YVSWGPJKLRIXNW-GIOUXUJVSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969841025 613303065 /nfs/dbraw/zinc/30/30/65/613303065.db2.gz FHYRNEZMGQJQHZ-NSHDSACASA-N 0 3 294.345 2.591 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970830109 613303096 /nfs/dbraw/zinc/30/30/96/613303096.db2.gz OYDHDJBMDNRHBH-AWEZNQCLSA-N 0 3 286.419 2.875 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC000970887428 613303582 /nfs/dbraw/zinc/30/35/82/613303582.db2.gz SJILCTJQFPRASP-AWEZNQCLSA-N 0 3 289.423 2.695 20 30 CFEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1coc(C)n1 ZINC000968830983 613307301 /nfs/dbraw/zinc/30/73/01/613307301.db2.gz IJHRRLQTZMOYDQ-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000981783081 613308524 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C[C@@H](NC[C@@H](O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902789232 621177195 /nfs/dbraw/zinc/17/71/95/621177195.db2.gz IEXGLCDIQUTYTH-MLGOLLRUSA-N 0 3 273.380 2.545 20 30 CFEDHN C[C@H](NC[C@@](C)(O)c1cccs1)c1cc(C#N)ccn1 ZINC000902815319 621185384 /nfs/dbraw/zinc/18/53/84/621185384.db2.gz ULACDDYIUWBYOM-XHDPSFHLSA-N 0 3 287.388 2.573 20 30 CFEDHN CC[C@@H](N[C@H]1CCN(C(C)C)C1=O)c1cccc(C#N)c1 ZINC000902869314 621192278 /nfs/dbraw/zinc/19/22/78/621192278.db2.gz UTQKDNNIERDSFD-CVEARBPZSA-N 0 3 285.391 2.608 20 30 CFEDHN Cc1cccc([C@@H](O)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902882846 621198719 /nfs/dbraw/zinc/19/87/19/621198719.db2.gz ZWGRXSRXRXESAH-DYVFJYSZSA-N 0 3 281.359 2.646 20 30 CFEDHN CC(C)[C@@H](O)C(C)(C)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902887037 621199473 /nfs/dbraw/zinc/19/94/73/621199473.db2.gz DMBFYGSEQIVJOK-IUODEOHRSA-N 0 3 275.396 2.647 20 30 CFEDHN CC[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000903017855 621222344 /nfs/dbraw/zinc/22/23/44/621222344.db2.gz 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ZINC000904679012 621621442 /nfs/dbraw/zinc/62/14/42/621621442.db2.gz WXKBYZNANWJBJD-CQSZACIVSA-N 0 3 279.428 2.790 20 30 CFEDHN C=CCCC[C@@H](N)c1nc(-c2ccn3cncc3c2)no1 ZINC000904706770 621627502 /nfs/dbraw/zinc/62/75/02/621627502.db2.gz BUVJAYKVUUBNMP-CYBMUJFWSA-N 0 3 283.335 2.740 20 30 CFEDHN C=CCNCc1cc(-c2ccnn2CC)ccc1F ZINC000904754619 621630322 /nfs/dbraw/zinc/63/03/22/621630322.db2.gz VSWMSNGYODMRKR-UHFFFAOYSA-N 0 3 259.328 2.985 20 30 CFEDHN N#Cc1sccc1-c1ccc([C@H]2CNCCO2)cc1 ZINC000904894498 621673619 /nfs/dbraw/zinc/67/36/19/621673619.db2.gz IZSRIEHEODFECE-CQSZACIVSA-N 0 3 270.357 2.948 20 30 CFEDHN CC1/C(=C\c2ccc3c(c2)CC(C)(C)O3)C(=O)c2ncnn21 ZINC000905080233 621691094 /nfs/dbraw/zinc/69/10/94/621691094.db2.gz JIKNPKBVIKDUPD-SRMXYGTFSA-N 0 3 295.342 2.833 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCSC2(CCC2)C1 ZINC000905602958 621795679 /nfs/dbraw/zinc/79/56/79/621795679.db2.gz WQRFEQBPMLIMFM-CHWSQXEVSA-N 0 3 263.410 2.838 20 30 CFEDHN Cc1cc(C#N)cc(C)c1Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000905827373 621879155 /nfs/dbraw/zinc/87/91/55/621879155.db2.gz IWDHSYRUQDIFAD-MRXNPFEDSA-N 0 3 297.406 2.861 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CC(c3ccccc3)C2)CCC1 ZINC000905964508 621906234 /nfs/dbraw/zinc/90/62/34/621906234.db2.gz DFIGZXCXPTYKAR-MRXNPFEDSA-N 0 3 270.376 2.531 20 30 CFEDHN Cc1cc(C(=O)N2CCCN(C(C)C)CC2)cc(C)c1C#N ZINC000906547599 622003479 /nfs/dbraw/zinc/00/34/79/622003479.db2.gz ZQKOVMQFLHCDHI-UHFFFAOYSA-N 0 3 299.418 2.731 20 30 CFEDHN CCCN(CCN(C)C)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC000906579221 622013549 /nfs/dbraw/zinc/01/35/49/622013549.db2.gz AWWZLKGEXINDPF-UHFFFAOYSA-N 0 3 287.407 2.589 20 30 CFEDHN C=CCCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000907851978 622166575 /nfs/dbraw/zinc/16/65/75/622166575.db2.gz GAKYPZFHVMNMEM-UHFFFAOYSA-N 0 3 271.364 2.987 20 30 CFEDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(C)c(C#N)c(C)c1 ZINC000907930888 622171960 /nfs/dbraw/zinc/17/19/60/622171960.db2.gz QLNNVIBGVTZJOH-INIZCTEOSA-N 0 3 299.418 2.731 20 30 CFEDHN N#CC1(CNC(=O)c2ccc(NC3=NCCC3)cc2)CCC1 ZINC000910944236 622491229 /nfs/dbraw/zinc/49/12/29/622491229.db2.gz NEYPPGOEXONDBT-UHFFFAOYSA-N 0 3 296.374 2.714 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OCC)cc1 ZINC000911907331 622581084 /nfs/dbraw/zinc/58/10/84/622581084.db2.gz XSWVDAWXCABBTQ-AWEZNQCLSA-N 0 3 262.353 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000911907357 622581718 /nfs/dbraw/zinc/58/17/18/622581718.db2.gz YMJSKZDGIKEKEK-LBPRGKRZSA-N 0 3 277.324 2.525 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)cc1F ZINC000911948943 622586674 /nfs/dbraw/zinc/58/66/74/622586674.db2.gz UFDFBTPOQOGFCQ-GFCCVEGCSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCc1ccc(Cl)cc1 ZINC000911939867 622594128 /nfs/dbraw/zinc/59/41/28/622594128.db2.gz VESABBQTDMDFMF-CQSZACIVSA-N 0 3 280.799 2.682 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)cc1C ZINC000911990739 622604299 /nfs/dbraw/zinc/60/42/99/622604299.db2.gz WAYLKHUQYXYXHZ-GFCCVEGCSA-N 0 3 250.317 2.756 20 30 CFEDHN CC(C)(C(=O)N1Cc2ccc(C#N)cc2C1)N1CCCCC1 ZINC000912059832 622615150 /nfs/dbraw/zinc/61/51/50/622615150.db2.gz ORCRIENLCZTYDL-UHFFFAOYSA-N 0 3 297.402 2.665 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000912053177 622620567 /nfs/dbraw/zinc/62/05/67/622620567.db2.gz BSDVLVCAIMYCOY-QMTHXVAHSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccnn1C1CCCC1 ZINC000912052217 622620652 /nfs/dbraw/zinc/62/06/52/622620652.db2.gz UIPCHONHCOAHSH-ZDUSSCGKSA-N 0 3 276.384 2.620 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCCOC1CCCCC1 ZINC000912115509 622631169 /nfs/dbraw/zinc/63/11/69/622631169.db2.gz MJGSDTKAGYCVNN-HNNXBMFYSA-N 0 3 282.428 2.526 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCc1ccccc1Cl ZINC000912237589 622662868 /nfs/dbraw/zinc/66/28/68/622662868.db2.gz LEPCNMHPMLGGGR-AWEZNQCLSA-N 0 3 280.799 2.682 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000912266240 622669428 /nfs/dbraw/zinc/66/94/28/622669428.db2.gz YOBTYDYQMYENAM-CYBMUJFWSA-N 0 3 284.762 2.779 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(OCCC)cc1 ZINC000912320343 622687432 /nfs/dbraw/zinc/68/74/32/622687432.db2.gz GHPBYXFZCVOGEA-INIZCTEOSA-N 0 3 290.407 2.775 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccccc1OCC ZINC000912343418 622690965 /nfs/dbraw/zinc/69/09/65/622690965.db2.gz NQYOVLZQNNIMLB-ZFWWWQNUSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000912343781 622691103 /nfs/dbraw/zinc/69/11/03/622691103.db2.gz TZDHULPYGXMNSJ-AWEZNQCLSA-N 0 3 282.334 2.607 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1CC(C)C ZINC000912393213 622703384 /nfs/dbraw/zinc/70/33/84/622703384.db2.gz HXXRYHIOLMTAKF-UONOGXRCSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CCC(C)C)C1CC1 ZINC000912484526 622729412 /nfs/dbraw/zinc/72/94/12/622729412.db2.gz JMEFZGAFYGSXPY-AWEZNQCLSA-N 0 3 252.402 2.707 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc(C(C)(C)C)oc1C ZINC000820688180 622737167 /nfs/dbraw/zinc/73/71/67/622737167.db2.gz MDZZNZWIVKHHLE-UHFFFAOYSA-N 0 3 290.407 2.570 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@H]12 ZINC000991419962 622811676 /nfs/dbraw/zinc/81/16/76/622811676.db2.gz ZGQXSCWQNRGQHG-YOEHRIQHSA-N 0 3 287.407 2.544 20 30 CFEDHN CC[C@@H](SC)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156489844 622944995 /nfs/dbraw/zinc/94/49/95/622944995.db2.gz MCZADWATWDGASR-CHWSQXEVSA-N 0 3 290.388 2.784 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCCc2ccccc21 ZINC000171776967 623242118 /nfs/dbraw/zinc/24/21/18/623242118.db2.gz NEYDYHNDHWEAGU-ZBFHGGJFSA-N 0 3 298.386 2.730 20 30 CFEDHN C#CCN(CCCC(=O)OC)[C@@H]1CCc2ccccc21 ZINC000172244388 623272624 /nfs/dbraw/zinc/27/26/24/623272624.db2.gz JNULLPRYSOHEDW-MRXNPFEDSA-N 0 3 271.360 2.562 20 30 CFEDHN C#CCCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000174125553 623390595 /nfs/dbraw/zinc/39/05/95/623390595.db2.gz LQSYJZPOPDILJV-KRWDZBQOSA-N 0 3 299.418 2.536 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@H]12 ZINC000992124414 623462075 /nfs/dbraw/zinc/46/20/75/623462075.db2.gz ZZJKHZJAKJZQMI-JKIFEVAISA-N 0 3 276.424 2.722 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992125228 623462185 /nfs/dbraw/zinc/46/21/85/623462185.db2.gz CTWBGSNAVZBXOC-IIDMSEBBSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CC34CCCC4)CCC[C@H]12 ZINC000992378294 623528392 /nfs/dbraw/zinc/52/83/92/623528392.db2.gz IXLVFQFRUFIZLX-RLFYNMQTSA-N 0 3 288.435 2.866 20 30 CFEDHN CC#CCCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000185012612 625674434 /nfs/dbraw/zinc/67/44/34/625674434.db2.gz FGQHTDANDLDCCQ-AWEZNQCLSA-N 0 3 280.412 2.731 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000825710598 623745184 /nfs/dbraw/zinc/74/51/84/623745184.db2.gz VMQOWUHISUTOJN-KBPBESRZSA-N 0 3 261.365 2.554 20 30 CFEDHN C#C[C@@H](NCc1ccc(O[C@@H]2CCOC2)cc1)C(C)(C)C ZINC000825940221 623772563 /nfs/dbraw/zinc/77/25/63/623772563.db2.gz PWZDSZKFHIGBFY-IAGOWNOFSA-N 0 3 287.403 2.992 20 30 CFEDHN C#CCSCCNCc1cccc(OC)c1OC(C)C ZINC000152939496 623794652 /nfs/dbraw/zinc/79/46/52/623794652.db2.gz FMBCAUXFJUOKHM-UHFFFAOYSA-N 0 3 293.432 2.938 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992975667 623824278 /nfs/dbraw/zinc/82/42/78/623824278.db2.gz YHXYTDCGNUCZKE-BBRMVZONSA-N 0 3 290.382 2.985 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993126720 623934491 /nfs/dbraw/zinc/93/44/91/623934491.db2.gz KXIWXOYYBYZZLS-DGCLKSJQSA-N 0 3 293.436 2.610 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2oc(C)cc2C)[C@@H]1C ZINC000993152046 623959590 /nfs/dbraw/zinc/95/95/90/623959590.db2.gz VESZBRQNCPQIJR-GJZGRUSLSA-N 0 3 288.391 2.502 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1C ZINC000993176617 623979103 /nfs/dbraw/zinc/97/91/03/623979103.db2.gz BXZKKCNUFZTSCF-GDBMZVCRSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCNC(=S)NC[C@@H](c1ccsc1)N(CC)CC ZINC000915126488 623987222 /nfs/dbraw/zinc/98/72/22/623987222.db2.gz GJIDTMXLRGIIMR-ZDUSSCGKSA-N 0 3 297.493 2.781 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993183109 623988744 /nfs/dbraw/zinc/98/87/44/623988744.db2.gz KZQJEDUACUCBTD-KBPBESRZSA-N 0 3 290.451 2.661 20 30 CFEDHN C#C[C@@H](NCc1ccc(Cl)s1)C1CCOCC1 ZINC000827569828 624035347 /nfs/dbraw/zinc/03/53/47/624035347.db2.gz GUZYGBXSKJGEOA-GFCCVEGCSA-N 0 3 269.797 2.920 20 30 CFEDHN C#C[C@H](NCc1cccc2c1OC(C)(C)C2)C1CCOCC1 ZINC000827571180 624036609 /nfs/dbraw/zinc/03/66/09/624036609.db2.gz VYALGHWDSVWQHR-KRWDZBQOSA-N 0 3 299.414 2.918 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993214521 624041537 /nfs/dbraw/zinc/04/15/37/624041537.db2.gz VFLNMXBAKYMYDI-HIFRSBDPSA-N 0 3 290.432 2.663 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC000993233713 624054988 /nfs/dbraw/zinc/05/49/88/624054988.db2.gz LEFJYKWQOLWIQR-ZBFHGGJFSA-N 0 3 290.407 2.676 20 30 CFEDHN CCCCCCCCN1CCO[C@@]2(CCOC2)C1 ZINC000185167790 625695160 /nfs/dbraw/zinc/69/51/60/625695160.db2.gz HUIOAEFUTSZTCK-HNNXBMFYSA-N 0 3 255.402 2.838 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2cc(OC)ccc2o1 ZINC000827823395 624102508 /nfs/dbraw/zinc/10/25/08/624102508.db2.gz NSNRBTMCZXQHFH-UHFFFAOYSA-N 0 3 287.359 2.913 20 30 CFEDHN C=CCn1c(SC[C@H]2CCCN2C)nnc1C1CC1 ZINC000915816173 624120106 /nfs/dbraw/zinc/12/01/06/624120106.db2.gz LECPQDVJBGDWBH-GFCCVEGCSA-N 0 3 278.425 2.528 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC000993524450 624150959 /nfs/dbraw/zinc/15/09/59/624150959.db2.gz UGBRFNRTQFGZPJ-YPMHNXCESA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993752568 624164538 /nfs/dbraw/zinc/16/45/38/624164538.db2.gz ZGCZDQXNSHPQIQ-ZFWWWQNUSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993752566 624164553 /nfs/dbraw/zinc/16/45/53/624164553.db2.gz ZGCZDQXNSHPQIQ-HIFRSBDPSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993769752 624167901 /nfs/dbraw/zinc/16/79/01/624167901.db2.gz FCDBWFNDEJBHTM-GJZGRUSLSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993823517 624171072 /nfs/dbraw/zinc/17/10/72/624171072.db2.gz YJKOTNKNEZRMFS-DZGCQCFKSA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015690679 624175386 /nfs/dbraw/zinc/17/53/86/624175386.db2.gz WSHLVFNXFOHHEX-TZMCWYRMSA-N 0 3 278.421 2.618 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@@H]1C ZINC000994153899 624180254 /nfs/dbraw/zinc/18/02/54/624180254.db2.gz BGZHCBGSDFORMR-LSDHHAIUSA-N 0 3 294.414 2.651 20 30 CFEDHN CCCCNN=Cc1ccc(N(CC)CC)cc1O ZINC000915970053 624197312 /nfs/dbraw/zinc/19/73/12/624197312.db2.gz VSOZUNDJMBJGSZ-UHFFFAOYSA-N 0 3 263.385 2.962 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994298159 624275018 /nfs/dbraw/zinc/27/50/18/624275018.db2.gz QCHNIMZXTLTDRA-SJLPKXTDSA-N 0 3 298.430 2.909 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000185304446 625710730 /nfs/dbraw/zinc/71/07/30/625710730.db2.gz YECRHGOWOYZPQG-UHFFFAOYSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)/C=C\Cl)CC1 ZINC000917097879 624310730 /nfs/dbraw/zinc/31/07/30/624310730.db2.gz LXCCIDIVPGOLTJ-FPLPWBNLSA-N 0 3 299.846 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@]23C[C@H]2CCCC3)CC1 ZINC000917137881 624316824 /nfs/dbraw/zinc/31/68/24/624316824.db2.gz ZYLUABJWAACEAZ-PBHICJAKSA-N 0 3 291.439 2.516 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1Nc1ccnc2cc(OC)ccc21 ZINC000828964736 624343026 /nfs/dbraw/zinc/34/30/26/624343026.db2.gz GCDQCOBIMVZSSY-ZBFHGGJFSA-N 0 3 270.332 2.999 20 30 CFEDHN C#CC(C)(C)N(C)Cc1cncc(CN(C)C(C)(C)C#C)c1 ZINC000829243314 624407034 /nfs/dbraw/zinc/40/70/34/624407034.db2.gz AYZLQDIXOUYPOK-UHFFFAOYSA-N 0 3 297.446 2.769 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000829773098 624528767 /nfs/dbraw/zinc/52/87/67/624528767.db2.gz AQCRPPDPZSEJPQ-CABCVRRESA-N 0 3 276.424 2.559 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000829774598 624530686 /nfs/dbraw/zinc/53/06/86/624530686.db2.gz QQVHWEOISCTDQX-ZDUSSCGKSA-N 0 3 258.321 2.830 20 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YWXKTZCWLIYILL-JKSUJKDBSA-N 0 3 298.430 2.906 20 30 CFEDHN C#CC1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000830334096 624712501 /nfs/dbraw/zinc/71/25/01/624712501.db2.gz XCDZRDGELLIXNL-UHFFFAOYSA-N 0 3 281.355 2.947 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175113648 624927779 /nfs/dbraw/zinc/92/77/79/624927779.db2.gz GMWZPQNOFJTQPW-DTWKUNHWSA-N 0 3 298.795 2.738 20 30 CFEDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000233846267 624958482 /nfs/dbraw/zinc/95/84/82/624958482.db2.gz VTBXUJJDFVRERP-CHWSQXEVSA-N 0 3 250.367 2.915 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(CO)c2)cc1 ZINC000237702527 624971546 /nfs/dbraw/zinc/97/15/46/624971546.db2.gz GKSQVCIXPRZQPP-AWEZNQCLSA-N 0 3 296.370 2.760 20 30 CFEDHN C=C(C)C[N@@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000181289246 625097797 /nfs/dbraw/zinc/09/77/97/625097797.db2.gz OFOYJMGFVYVGMJ-UHFFFAOYSA-N 0 3 273.332 2.815 20 30 CFEDHN C=C(C)C[N@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000181289246 625097802 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/nfs/dbraw/zinc/43/60/55/627436055.db2.gz UVZDELQTMYGPEN-HNNXBMFYSA-N 0 3 299.418 2.648 20 30 CFEDHN C#CCCOc1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000769456966 627441637 /nfs/dbraw/zinc/44/16/37/627441637.db2.gz MYHIOIKDPCGHDK-OAHLLOKOSA-N 0 3 273.376 2.700 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000769975715 627494117 /nfs/dbraw/zinc/49/41/17/627494117.db2.gz JMYANTQDTZDRHR-GOEBONIOSA-N 0 3 289.419 2.677 20 30 CFEDHN N#CC1(c2ccc(C(=O)OCCN3CCCCC3)cc2)CC1 ZINC000770419445 627521544 /nfs/dbraw/zinc/52/15/44/627521544.db2.gz JRJCNCSJLGHONV-UHFFFAOYSA-N 0 3 298.386 2.884 20 30 CFEDHN CCN(CC)c1ccc(C=NN[C@@H](C)CC#N)cc1 ZINC000771890047 627644220 /nfs/dbraw/zinc/64/42/20/627644220.db2.gz MNXBAIMPDSXNST-ZDUSSCGKSA-N 0 3 258.369 2.758 20 30 CFEDHN CCO[C@H]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000771935083 627650875 /nfs/dbraw/zinc/65/08/75/627650875.db2.gz KRNBJHNIIYDFKS-PBHICJAKSA-N 0 3 288.391 2.978 20 30 CFEDHN C[C@@H](C#N)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000772707984 627738258 /nfs/dbraw/zinc/73/82/58/627738258.db2.gz BAXXIBCBCCCFBF-AWEZNQCLSA-N 0 3 286.375 2.744 20 30 CFEDHN C#C[C@H](NCCSc1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000851949280 634604217 /nfs/dbraw/zinc/60/42/17/634604217.db2.gz CEHZFDFTIUVDFV-KBPBESRZSA-N 0 3 297.370 2.827 20 30 CFEDHN c1ccc2c(c1)NCCCC2=NNCCN1CCCCC1 ZINC000774373804 627919733 /nfs/dbraw/zinc/91/97/33/627919733.db2.gz QGGFROQKLGNAPU-UHFFFAOYSA-N 0 3 286.423 2.672 20 30 CFEDHN CC[C@@](C)(CC(=O)OC)NCc1cccc(C#N)c1F ZINC000774688556 627948598 /nfs/dbraw/zinc/94/85/98/627948598.db2.gz YCQGXKJAOGZHNJ-HNNXBMFYSA-N 0 3 278.327 2.519 20 30 CFEDHN C#CCNC(=O)CN[C@@H](c1ccccc1)C(CC)CC ZINC000775132353 627995699 /nfs/dbraw/zinc/99/56/99/627995699.db2.gz SHMKCBDSLSMIFD-QGZVFWFLSA-N 0 3 272.392 2.503 20 30 CFEDHN C[C@@H](NC/C=C/Cl)c1ccc(OCC#N)cc1 ZINC000775336977 628010792 /nfs/dbraw/zinc/01/07/92/628010792.db2.gz VPQJDLXOVGLEAV-HVUAZKLTSA-N 0 3 250.729 2.992 20 30 CFEDHN C#C[C@H](NCc1cc(C)c(C)cc1C)[C@H]1CCCO1 ZINC000775344415 628013272 /nfs/dbraw/zinc/01/32/72/628013272.db2.gz HCVNJCFBZKDBOJ-DLBZAZTESA-N 0 3 257.377 2.882 20 30 CFEDHN C#CCNC(=O)CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000775377908 628017171 /nfs/dbraw/zinc/01/71/71/628017171.db2.gz FPRRUFHOFDAEFM-INIZCTEOSA-N 0 3 290.794 2.520 20 30 CFEDHN C#CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000775377910 628017380 /nfs/dbraw/zinc/01/73/80/628017380.db2.gz FPRRUFHOFDAEFM-MRXNPFEDSA-N 0 3 290.794 2.520 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@](C)(CC)c1ccccc1 ZINC000775387466 628018798 /nfs/dbraw/zinc/01/87/98/628018798.db2.gz MWQJKYDHJDTFGU-QGZVFWFLSA-N 0 3 287.407 2.664 20 30 CFEDHN C#C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)[C@@H]1CCCO1 ZINC000775571950 628039525 /nfs/dbraw/zinc/03/95/25/628039525.db2.gz NDBXXRBOODVLST-DNVSUFBTSA-N 0 3 289.350 2.850 20 30 CFEDHN C#C[C@H](N[C@@H](CC)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000775571208 628039591 /nfs/dbraw/zinc/03/95/91/628039591.db2.gz CKTRCZNDZWSRPH-BZSNNMDCSA-N 0 3 286.419 2.974 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000775984913 628091067 /nfs/dbraw/zinc/09/10/67/628091067.db2.gz IDGKIRDGGOHXCC-QLFBSQMISA-N 0 3 287.407 2.502 20 30 CFEDHN C#CCCOc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000775985154 628091645 /nfs/dbraw/zinc/09/16/45/628091645.db2.gz KCWCKXLJINZXLP-CVEARBPZSA-N 0 3 286.419 2.613 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc([N+](=O)[O-])c1 ZINC000776183910 628112575 /nfs/dbraw/zinc/11/25/75/628112575.db2.gz UCJGZUZESVSBSU-UHFFFAOYSA-N 0 3 285.307 2.502 20 30 CFEDHN C=CC[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776257648 628123161 /nfs/dbraw/zinc/12/31/61/628123161.db2.gz ZSTJMJUMURGYNX-LLVKDONJSA-N 0 3 269.772 2.628 20 30 CFEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC000776512682 628154552 /nfs/dbraw/zinc/15/45/52/628154552.db2.gz TZZPRUNFDZXKTM-WOPDTQHZSA-N 0 3 284.315 2.819 20 30 CFEDHN C#CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776587687 628162177 /nfs/dbraw/zinc/16/21/77/628162177.db2.gz YWXRFQXIITXIES-INIZCTEOSA-N 0 3 288.347 2.506 20 30 CFEDHN C#CCCN1CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000776593283 628163076 /nfs/dbraw/zinc/16/30/76/628163076.db2.gz FRWXTSBBMAMUKS-UHFFFAOYSA-N 0 3 270.420 2.753 20 30 CFEDHN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000776728055 628171469 /nfs/dbraw/zinc/17/14/69/628171469.db2.gz QCFPEHHPSAKLCU-IINYFYTJSA-N 0 3 274.295 2.675 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@@H]1CCCN(C)C1 ZINC000778159378 628281823 /nfs/dbraw/zinc/28/18/23/628281823.db2.gz LFEWDKGOGXDBOC-CYBMUJFWSA-N 0 3 292.810 2.536 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC[C@@H](C)CO ZINC000778171169 628283217 /nfs/dbraw/zinc/28/32/17/628283217.db2.gz BQERAQCBMHWNMO-CYBMUJFWSA-N 0 3 295.810 2.850 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H](C)CCCO ZINC000778176716 628284152 /nfs/dbraw/zinc/28/41/52/628284152.db2.gz LFEJNACNYXVJIQ-GFCCVEGCSA-N 0 3 281.783 2.603 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)CCCC(C)C ZINC000852096361 634649884 /nfs/dbraw/zinc/64/98/84/634649884.db2.gz AQAPSJMHJXJZOK-GOEBONIOSA-N 0 3 266.429 2.709 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000852096829 634650559 /nfs/dbraw/zinc/65/05/59/634650559.db2.gz GFWMBQGOWIITBP-OFQRWUPVSA-N 0 3 264.413 2.558 20 30 CFEDHN COCC1(C(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000779194484 628358894 /nfs/dbraw/zinc/35/88/94/628358894.db2.gz MWZRQXACIVZDCA-SNVBAGLBSA-N 0 3 286.356 2.899 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000852098390 634651515 /nfs/dbraw/zinc/65/15/15/634651515.db2.gz LQDOPTUZOGVKRS-WMLDXEAASA-N 0 3 276.424 2.773 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000852097700 634651586 /nfs/dbraw/zinc/65/15/86/634651586.db2.gz UXGKTLKBMUOVKT-MAUKXSAKSA-N 0 3 286.419 2.815 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000852098777 634653155 /nfs/dbraw/zinc/65/31/55/634653155.db2.gz VSGQRHUKTUFFJS-SUMWQHHRSA-N 0 3 290.382 2.564 20 30 CFEDHN CC(CCc1ccc(Cl)s1)=NNC1=N[C@H](C)CN1 ZINC000779792184 628406664 /nfs/dbraw/zinc/40/66/64/628406664.db2.gz PMXARUPURWJDAV-SECBINFHSA-N 0 3 284.816 2.647 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000852098736 634653499 /nfs/dbraw/zinc/65/34/99/634653499.db2.gz UTWMEUDOHNCCQB-CKEIUWERSA-N 0 3 272.392 2.644 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000852101175 634655094 /nfs/dbraw/zinc/65/50/94/634655094.db2.gz NNTAVOQWGKNBAU-ZWKOTPCHSA-N 0 3 284.403 2.645 20 30 CFEDHN C[C@H](Cc1cnccn1)N[C@H](C)c1ccc(C#N)cc1F ZINC000781420377 628547548 /nfs/dbraw/zinc/54/75/48/628547548.db2.gz JSVZXFFEIPXWBF-VXGBXAGGSA-N 0 3 284.338 2.769 20 30 CFEDHN CN(CCO)c1ccc(C=NN[C@@H]2CCCC2(C)C)cc1 ZINC000782299905 628625873 /nfs/dbraw/zinc/62/58/73/628625873.db2.gz JRAAUCYJJZKYLO-MRXNPFEDSA-N 0 3 289.423 2.617 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C2=CCCCC2)nc(C)n1 ZINC000783068872 628672580 /nfs/dbraw/zinc/67/25/80/628672580.db2.gz OHIWIGFQZMFREE-CYBMUJFWSA-N 0 3 255.321 2.770 20 30 CFEDHN CC(C)CO[C@H]1C[C@@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000783299531 628698944 /nfs/dbraw/zinc/69/89/44/628698944.db2.gz DJLWUSYUTQCRIC-CVEARBPZSA-N 0 3 287.407 2.883 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783878677 628752822 /nfs/dbraw/zinc/75/28/22/628752822.db2.gz ZKOKLTOARVIXQU-SECBINFHSA-N 0 3 262.744 2.561 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc(-n2ccnc2)nc1 ZINC000785999261 628929597 /nfs/dbraw/zinc/92/95/97/628929597.db2.gz SBWHOJCNOKBXAY-OAHLLOKOSA-N 0 3 268.364 2.808 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCOCC1 ZINC000786272235 628946331 /nfs/dbraw/zinc/94/63/31/628946331.db2.gz VDHOHKGVLBNXDV-OLZOCXBDSA-N 0 3 297.358 2.566 20 30 CFEDHN C=CCCN(C)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000786437537 628956432 /nfs/dbraw/zinc/95/64/32/628956432.db2.gz ROPLMUFYXDHQDC-OAHLLOKOSA-N 0 3 258.365 2.608 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)CCC(C)C)c1 ZINC000786544313 628967811 /nfs/dbraw/zinc/96/78/11/628967811.db2.gz VHIACBUYVDXKBO-HNNXBMFYSA-N 0 3 286.375 2.756 20 30 CFEDHN CO[C@@H](c1ccccc1)[C@H](C)NCc1ccc(C#N)cn1 ZINC000786919456 628984856 /nfs/dbraw/zinc/98/48/56/628984856.db2.gz LRWZGPQLFATDCV-SUMWQHHRSA-N 0 3 281.359 2.819 20 30 CFEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc[nH]c(=O)c1 ZINC000788829142 629103352 /nfs/dbraw/zinc/10/33/52/629103352.db2.gz XWVIADBZIBJGLJ-GFCCVEGCSA-N 0 3 279.343 2.999 20 30 CFEDHN N#CC1(COC(=O)C2CCN(C3CC3)CC2)CCCCC1 ZINC000805913208 629210351 /nfs/dbraw/zinc/21/03/51/629210351.db2.gz VWQFGHLWZUDNDZ-UHFFFAOYSA-N 0 3 290.407 2.878 20 30 CFEDHN Nc1ncc(C=NNc2cc(Cl)cc(Cl)c2)cn1 ZINC000790201232 629219877 /nfs/dbraw/zinc/21/98/77/629219877.db2.gz AMCOHQWZEWNYBM-UHFFFAOYSA-N 0 3 282.134 2.812 20 30 CFEDHN C=CCC1(C(=O)NC[C@H](C)N2CCCCC2)CCC1 ZINC000790380422 629236064 /nfs/dbraw/zinc/23/60/64/629236064.db2.gz XLLRVFNIBFBLJU-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791538484 629329044 /nfs/dbraw/zinc/32/90/44/629329044.db2.gz AQFKIEQXZLBOEQ-KDOFPFPSSA-N 0 3 267.372 2.697 20 30 CFEDHN COC1(C(=O)C(C#N)c2nccc3ccccc32)CCC1 ZINC000792094703 629397141 /nfs/dbraw/zinc/39/71/41/629397141.db2.gz PNMISGHVUJDMEM-CQSZACIVSA-N 0 3 280.327 2.980 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(F)cc1C)[C@H](C)COC ZINC000852358135 634732663 /nfs/dbraw/zinc/73/26/63/634732663.db2.gz NOCAPJGPXNOSSH-CJNGLKHVSA-N 0 3 281.371 2.690 20 30 CFEDHN C=CCCCCC[C@H](C)NCc1cc(C(N)=O)co1 ZINC000793556273 629571442 /nfs/dbraw/zinc/57/14/42/629571442.db2.gz FNOYQJLMANVIRP-LBPRGKRZSA-N 0 3 264.369 2.993 20 30 CFEDHN C#C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC000794050411 629612103 /nfs/dbraw/zinc/61/21/03/629612103.db2.gz HPPXNROEUSGQMC-AWEZNQCLSA-N 0 3 290.794 2.615 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccn2)CC1 ZINC000794354462 629639210 /nfs/dbraw/zinc/63/92/10/629639210.db2.gz VCUXTJNVAFDZCM-UHFFFAOYSA-N 0 3 294.786 2.507 20 30 CFEDHN Cc1nnc(C)n1N=C/C=C/c1ccc(F)c(F)c1 ZINC000794882551 629699084 /nfs/dbraw/zinc/69/90/84/629699084.db2.gz OSPBZVMCSHGKSI-VFVPTBDISA-N 0 3 262.263 2.720 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1CCCSC1 ZINC000794889884 629699475 /nfs/dbraw/zinc/69/94/75/629699475.db2.gz ZIXAQUZRLHHZGT-LBPRGKRZSA-N 0 3 272.377 2.922 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)[C@H]1CCCSC1 ZINC000794889883 629699559 /nfs/dbraw/zinc/69/95/59/629699559.db2.gz ZIXAQUZRLHHZGT-GFCCVEGCSA-N 0 3 272.377 2.922 20 30 CFEDHN C#CCCN1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796572797 629936606 /nfs/dbraw/zinc/93/66/06/629936606.db2.gz SVJNTOKCUMAYJY-HZPDHXFCSA-N 0 3 292.423 2.733 20 30 CFEDHN CC[C@H](C)CCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000796780486 629965336 /nfs/dbraw/zinc/96/53/36/629965336.db2.gz TVZACNHCUCJQON-DZGCQCFKSA-N 0 3 286.375 2.838 20 30 CFEDHN C#CCOCCN(Cc1ccccc1F)CC1CC1 ZINC000852563506 634780829 /nfs/dbraw/zinc/78/08/29/634780829.db2.gz DXHMTLGMXRUHDQ-UHFFFAOYSA-N 0 3 261.340 2.688 20 30 CFEDHN C[C@@H]1CN=C(NN=C2CC(C)(C)CCc3ccccc32)N1 ZINC000797786478 630104175 /nfs/dbraw/zinc/10/41/75/630104175.db2.gz YBFJJVGQRPXAJW-GFCCVEGCSA-N 0 3 284.407 2.691 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000797862871 630114532 /nfs/dbraw/zinc/11/45/32/630114532.db2.gz MJIJKSDKMTVKEU-GFCCVEGCSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(CC(C)C)CC2)C1=O ZINC000799127752 630279327 /nfs/dbraw/zinc/27/93/27/630279327.db2.gz QUJQRUVUHGFJFD-OAHLLOKOSA-N 0 3 264.413 2.531 20 30 CFEDHN CC#CC(=O)N(CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000801138348 630430175 /nfs/dbraw/zinc/43/01/75/630430175.db2.gz PFCRFPQKHQAEPH-DOTOQJQBSA-N 0 3 284.403 2.694 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1c1ccsc1 ZINC000801915595 630483921 /nfs/dbraw/zinc/48/39/21/630483921.db2.gz SIBKQLSOTSEARK-WCQYABFASA-N 0 3 250.367 2.814 20 30 CFEDHN C[C@H](C#N)OCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000801910953 630484872 /nfs/dbraw/zinc/48/48/72/630484872.db2.gz QUBINASPQQLXDT-DOMZBBRYSA-N 0 3 262.328 2.891 20 30 CFEDHN COc1cc(CN(C)CCO[C@@H](C)C#N)ccc1SC ZINC000801914309 630486247 /nfs/dbraw/zinc/48/62/47/630486247.db2.gz BVXAEDIBZSAWTL-LBPRGKRZSA-N 0 3 294.420 2.778 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(OC2CCC(C)CC2)CC1 ZINC000801920317 630487594 /nfs/dbraw/zinc/48/75/94/630487594.db2.gz STSXIDBSSKKBHQ-PCKAHOCUSA-N 0 3 294.439 2.975 20 30 CFEDHN CCc1nc(C)c([C@@H](C)N(C)CCO[C@H](C)C#N)s1 ZINC000801922455 630487939 /nfs/dbraw/zinc/48/79/39/630487939.db2.gz JUJAENNSYRNQJR-ZYHUDNBSSA-N 0 3 281.425 2.935 20 30 CFEDHN CCc1nc(C)c([C@H](C)N(C)CCO[C@@H](C)C#N)s1 ZINC000801922453 630488461 /nfs/dbraw/zinc/48/84/61/630488461.db2.gz JUJAENNSYRNQJR-JQWIXIFHSA-N 0 3 281.425 2.935 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000801930072 630490337 /nfs/dbraw/zinc/49/03/37/630490337.db2.gz DLUQGDJRJDNSOY-KBPBESRZSA-N 0 3 299.374 2.936 20 30 CFEDHN C[C@@H](C#N)OCCN[C@@H](C)c1ccccc1OC(F)F ZINC000801937576 630491549 /nfs/dbraw/zinc/49/15/49/630491549.db2.gz QBVGTRUEFSDMOB-QWRGUYRKSA-N 0 3 284.306 2.867 20 30 CFEDHN CC[C@@H](NCCO[C@H](C)C#N)c1ccc(F)cc1F ZINC000801938714 630492082 /nfs/dbraw/zinc/49/20/82/630492082.db2.gz HZJYZIGRZTVOBF-QMTHXVAHSA-N 0 3 268.307 2.934 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(CCO[C@H](C)C#N)[C@H]2C ZINC000801938789 630492268 /nfs/dbraw/zinc/49/22/68/630492268.db2.gz LSBURBGCUFZHFP-MJBXVCDLSA-N 0 3 288.391 2.931 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NCCO[C@@H](C)C#N ZINC000801937915 630492433 /nfs/dbraw/zinc/49/24/33/630492433.db2.gz XVWANPJVWTVPDP-STQMWFEESA-N 0 3 262.353 2.583 20 30 CFEDHN CC1=C(c2ccco2)CN(CCO[C@H](C)C#N)CC1 ZINC000801954620 630494978 /nfs/dbraw/zinc/49/49/78/630494978.db2.gz KFUMBIDDEALKCB-CYBMUJFWSA-N 0 3 260.337 2.687 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000801955980 630495042 /nfs/dbraw/zinc/49/50/42/630495042.db2.gz YKBIVHOFSGGFRC-NWDGAFQWSA-N 0 3 290.329 2.970 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OC(C)C)cc1 ZINC000852752109 634825831 /nfs/dbraw/zinc/82/58/31/634825831.db2.gz SWTHHUANWCDEQW-UHFFFAOYSA-N 0 3 275.392 2.946 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000804458546 630683668 /nfs/dbraw/zinc/68/36/68/630683668.db2.gz MHWNQKIOQVMUPT-JZXOWHBKSA-N 0 3 298.430 2.610 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H]1[C@H](C)CCC ZINC000836488756 630832492 /nfs/dbraw/zinc/83/24/92/630832492.db2.gz NHOBKVSJZDFNBI-CVEARBPZSA-N 0 3 293.455 2.552 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000807681753 630903708 /nfs/dbraw/zinc/90/37/08/630903708.db2.gz MYDWRWIRVIYYFP-UONOGXRCSA-N 0 3 290.407 2.875 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808787574 631048387 /nfs/dbraw/zinc/04/83/87/631048387.db2.gz IDYRIOKPEMEBPX-GBESFXJTSA-N 0 3 297.398 2.988 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC000837531940 631057827 /nfs/dbraw/zinc/05/78/27/631057827.db2.gz JPFBDJQIGLVVEZ-DOTOQJQBSA-N 0 3 298.430 2.673 20 30 CFEDHN CC#CCCCC(=O)OCCN(C)Cc1ccccc1 ZINC000837640886 631094660 /nfs/dbraw/zinc/09/46/60/631094660.db2.gz SJSMJHUNZICCPQ-UHFFFAOYSA-N 0 3 273.376 2.855 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(OC)cc2)cc1 ZINC000809424181 631224342 /nfs/dbraw/zinc/22/43/42/631224342.db2.gz NEAKPPFFQJARDX-UHFFFAOYSA-N 0 3 251.329 2.966 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809583847 631242335 /nfs/dbraw/zinc/24/23/35/631242335.db2.gz RKHCDFAUMLTBNR-INIZCTEOSA-N 0 3 285.387 2.832 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(CO)c(F)c2)cc1 ZINC000809610231 631245836 /nfs/dbraw/zinc/24/58/36/631245836.db2.gz XKUYDCAFBOCNCD-UHFFFAOYSA-N 0 3 269.319 2.589 20 30 CFEDHN C#Cc1ccc(CN[C@](C)(CO)c2ccccc2)cc1 ZINC000809617850 631247519 /nfs/dbraw/zinc/24/75/19/631247519.db2.gz BPSYBJFMVYQYGU-GOSISDBHSA-N 0 3 265.356 2.665 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OCC(F)(F)F)cc1 ZINC000809683454 631261194 /nfs/dbraw/zinc/26/11/94/631261194.db2.gz ALPWTJXIRGOJMS-SNVBAGLBSA-N 0 3 257.255 2.739 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000809718141 631270047 /nfs/dbraw/zinc/27/00/47/631270047.db2.gz GFVYARDBFUKVLB-OAQYLSRUSA-N 0 3 297.423 2.836 20 30 CFEDHN CC(=NN(C)C[C@@H](C)O)c1ccc(N2CCCCC2)cc1 ZINC000841652501 631444790 /nfs/dbraw/zinc/44/47/90/631444790.db2.gz LJHSTOKLYJZUIW-CQSZACIVSA-N 0 3 289.423 2.714 20 30 CFEDHN C[C@@H](c1ccccn1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153726 631554458 /nfs/dbraw/zinc/55/44/58/631554458.db2.gz OUACXFFVNOOCPQ-SUMWQHHRSA-N 0 3 281.359 2.680 20 30 CFEDHN CC(=NNC[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000811659447 631598096 /nfs/dbraw/zinc/59/80/96/631598096.db2.gz SAAAFYZKTYKPCJ-CYBMUJFWSA-N 0 3 277.437 2.819 20 30 CFEDHN CC(C)CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccncc1 ZINC000842527952 631652608 /nfs/dbraw/zinc/65/26/08/631652608.db2.gz FWNBDFQLQVXGFM-GASCZTMLSA-N 0 3 299.422 2.692 20 30 CFEDHN CCOC(=O)c1ccc(N=NC2CN(C)C[C@@H]2C)cc1C ZINC000812228190 631671180 /nfs/dbraw/zinc/67/11/80/631671180.db2.gz GKFSXOXOXYTEKT-LBPRGKRZSA-N 0 3 289.379 2.521 20 30 CFEDHN N#CC(C(=O)[C@H]1CCC(=O)C1)c1ccc2ccccc2n1 ZINC000842681853 631706374 /nfs/dbraw/zinc/70/63/74/631706374.db2.gz IKPCBLGVTOCZHJ-GXTWGEPZSA-N 0 3 278.311 2.780 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000843265024 631913257 /nfs/dbraw/zinc/91/32/57/631913257.db2.gz SPKBNZPBKSEPAC-STYDFJLESA-N 0 3 276.380 2.835 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000843422926 631952387 /nfs/dbraw/zinc/95/23/87/631952387.db2.gz JIRKALNNFNXZIC-ZDUSSCGKSA-N 0 3 289.375 2.864 20 30 CFEDHN C#CC1CCN(Cc2ccc(OCC)c(OC)c2)CC1 ZINC000843428521 631955558 /nfs/dbraw/zinc/95/55/58/631955558.db2.gz IHHMKQXPHMXEDB-UHFFFAOYSA-N 0 3 273.376 2.939 20 30 CFEDHN C#C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC000813776448 631958614 /nfs/dbraw/zinc/95/86/14/631958614.db2.gz FMLVAFKGCQJACP-CVEARBPZSA-N 0 3 290.451 2.948 20 30 CFEDHN CC[C@H](SC)C(=O)C(C#N)c1nc(C)cs1 ZINC000156247055 650049623 /nfs/dbraw/zinc/04/96/23/650049623.db2.gz LYMIKFPOLRGTDC-BDAKNGLRSA-N 0 3 254.380 2.769 20 30 CFEDHN C=CCCONC(=O)c1cccc(CN2CCCCC2)c1 ZINC000856027566 635702986 /nfs/dbraw/zinc/70/29/86/635702986.db2.gz QYMDRSVDWASOGN-UHFFFAOYSA-N 0 3 288.391 2.910 20 30 CFEDHN c1cc2c3c(c1)C(=NNCCN1CCCCC1)CC[C@H]3CN2 ZINC000814809028 632130123 /nfs/dbraw/zinc/13/01/23/632130123.db2.gz XHVHGJSCUSMACV-AWEZNQCLSA-N 0 3 298.434 2.769 20 30 CFEDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1C ZINC000815163047 632220873 /nfs/dbraw/zinc/22/08/73/632220873.db2.gz GXTFBIQJYOZVHX-STQMWFEESA-N 0 3 280.375 2.799 20 30 CFEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000815163520 632221325 /nfs/dbraw/zinc/22/13/25/632221325.db2.gz RXZPMWOWPQJTAC-UTUOFQBUSA-N 0 3 299.399 2.813 20 30 CFEDHN CCc1ccc(C#CC(=O)NC[C@@H]2CCCCN2CC)cc1 ZINC000815551993 632288200 /nfs/dbraw/zinc/28/82/00/632288200.db2.gz NLBJXLRIQGOFIG-SFHVURJKSA-N 0 3 298.430 2.591 20 30 CFEDHN C=CCC(F)(F)C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000815597542 632295730 /nfs/dbraw/zinc/29/57/30/632295730.db2.gz YKSSJJXTWDKFHC-UHFFFAOYSA-N 0 3 288.382 2.777 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845444189 632436316 /nfs/dbraw/zinc/43/63/16/632436316.db2.gz MFNQPRUDVUQOGS-BARDWOONSA-N 0 3 288.391 2.604 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000845443909 632436400 /nfs/dbraw/zinc/43/64/00/632436400.db2.gz WJGZSTOJBKXXPR-ZWNOBZJWSA-N 0 3 292.766 2.677 20 30 CFEDHN CC#CCCCC(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845730217 632536163 /nfs/dbraw/zinc/53/61/63/632536163.db2.gz HFODOAQRSVCXFL-ZDUSSCGKSA-N 0 3 251.370 2.596 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000846228194 632670027 /nfs/dbraw/zinc/67/00/27/632670027.db2.gz KGWXKDGDLDOODK-CYBMUJFWSA-N 0 3 292.810 2.515 20 30 CFEDHN N#CC(C(=O)[C@@H]1CC12CC2)c1nc2ccccc2[nH]1 ZINC000817715022 632691544 /nfs/dbraw/zinc/69/15/44/632691544.db2.gz ZWZQJISOMNKYLC-UWVGGRQHSA-N 0 3 251.289 2.539 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000818118685 632803905 /nfs/dbraw/zinc/80/39/05/632803905.db2.gz UNAFOQOZDIYGKL-SJORKVTESA-N 0 3 298.430 2.610 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000818595712 632876775 /nfs/dbraw/zinc/87/67/75/632876775.db2.gz KPQJIFJTDLEVCC-YESZJQIVSA-N 0 3 290.451 2.664 20 30 CFEDHN C#C[C@@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000847020208 632885144 /nfs/dbraw/zinc/88/51/44/632885144.db2.gz ADZPWYRDPSHCOS-CYBMUJFWSA-N 0 3 259.324 2.744 20 30 CFEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000847028595 632892134 /nfs/dbraw/zinc/89/21/34/632892134.db2.gz JHHFQMAVPZKMNA-QKPAOTATSA-N 0 3 276.424 2.510 20 30 CFEDHN N#Cc1csc(CNCC[C@@H]2CC2(Cl)Cl)n1 ZINC000856804863 635865823 /nfs/dbraw/zinc/86/58/23/635865823.db2.gz GPCKHPFJVFNQMZ-SSDOTTSWSA-N 0 3 276.192 2.688 20 30 CFEDHN C#C[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000847111578 632926144 /nfs/dbraw/zinc/92/61/44/632926144.db2.gz RNAMCMVWGFBDRF-AWEZNQCLSA-N 0 3 285.391 2.625 20 30 CFEDHN C=CC[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccncc1 ZINC000819073049 632952962 /nfs/dbraw/zinc/95/29/62/632952962.db2.gz ASHVORSDXHLCHV-VXGBXAGGSA-N 0 3 274.286 2.602 20 30 CFEDHN N#CC(C(=O)c1cc(Cl)nc(C2CC2)c1)c1ccncn1 ZINC000847684032 633040471 /nfs/dbraw/zinc/04/04/71/633040471.db2.gz XLLQIFKJLSTFJB-LLVKDONJSA-N 0 3 298.733 2.892 20 30 CFEDHN CC[C@](C)(NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000848398969 633248698 /nfs/dbraw/zinc/24/86/98/633248698.db2.gz NCEQOPDLHAMIOT-WBVHZDCISA-N 0 3 287.407 2.839 20 30 CFEDHN CC(C)CC1CCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000848407931 633250954 /nfs/dbraw/zinc/25/09/54/633250954.db2.gz XNLZDQYXNNUCQJ-HNNXBMFYSA-N 0 3 279.428 2.682 20 30 CFEDHN Fc1cc(N=NC2CCCN3CCCC[C@@H]23)ccn1 ZINC000848408298 633251019 /nfs/dbraw/zinc/25/10/19/633251019.db2.gz IQQWGCWKSIENAV-ZDUSSCGKSA-N 0 3 262.332 2.637 20 30 CFEDHN Fc1cccc(N=NC2CCCN3CCCC[C@H]23)n1 ZINC000848412128 633252515 /nfs/dbraw/zinc/25/25/15/633252515.db2.gz XVFVJZZGCXUFFQ-GFCCVEGCSA-N 0 3 262.332 2.637 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NNCCCn2ccnc2)cc1 ZINC000848416364 633254275 /nfs/dbraw/zinc/25/42/75/633254275.db2.gz IUZBGUQIBPUIQD-XFQKDXGMSA-N 0 3 297.406 2.628 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccccc2OCCOC)C1 ZINC000848923622 633405891 /nfs/dbraw/zinc/40/58/91/633405891.db2.gz HEDRCBXWFLDQQQ-OAHLLOKOSA-N 0 3 273.376 2.557 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cc(OC)c(OC)cc2C)C1 ZINC000848923907 633406195 /nfs/dbraw/zinc/40/61/95/633406195.db2.gz LADQVTOPRGVHTO-AWEZNQCLSA-N 0 3 273.376 2.857 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000848924079 633406449 /nfs/dbraw/zinc/40/64/49/633406449.db2.gz NDGDRDVBAQEXBO-INIZCTEOSA-N 0 3 294.402 2.729 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c(C)cc(OC)nc2C)C1 ZINC000848924397 633408011 /nfs/dbraw/zinc/40/80/11/633408011.db2.gz RIZRFNOBBUAVFT-CQSZACIVSA-N 0 3 258.365 2.552 20 30 CFEDHN N#CC1(CC(=O)OCCN2CCCCC2)CCCCC1 ZINC000849907169 633760489 /nfs/dbraw/zinc/76/04/89/633760489.db2.gz VXASUTMWPDTMGK-UHFFFAOYSA-N 0 3 278.396 2.880 20 30 CFEDHN Cc1csc(CNCCc2ccc(C#N)cc2)n1 ZINC000850346724 633948920 /nfs/dbraw/zinc/94/89/20/633948920.db2.gz XTYCGGMOYUQGDI-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C[C@H](CSCCF)NCc1cc(C#N)ccc1F ZINC000850445300 633996159 /nfs/dbraw/zinc/99/61/59/633996159.db2.gz RCMLPIPSMGSLLK-SNVBAGLBSA-N 0 3 270.348 2.878 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014514887 651187010 /nfs/dbraw/zinc/18/70/10/651187010.db2.gz BCDRSSCJVMLTHU-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C#Cc1cccnc1N1CCN(CCC(C)(C)C)CC1 ZINC000853226398 634943730 /nfs/dbraw/zinc/94/37/30/634943730.db2.gz WSCNSFOORLGTGO-UHFFFAOYSA-N 0 3 271.408 2.621 20 30 CFEDHN Cc1ccc2cc(C=NNCCN3CCCCC3)[nH]c2c1 ZINC000853292078 634960834 /nfs/dbraw/zinc/96/08/34/634960834.db2.gz SSNLKQVNLHGDMP-UHFFFAOYSA-N 0 3 284.407 2.886 20 30 CFEDHN C=CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853537430 635032057 /nfs/dbraw/zinc/03/20/57/635032057.db2.gz XUCPHLSREIKSFA-LRDDRELGSA-N 0 3 289.375 2.606 20 30 CFEDHN C=CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000853537430 635032063 /nfs/dbraw/zinc/03/20/63/635032063.db2.gz XUCPHLSREIKSFA-LRDDRELGSA-N 0 3 289.375 2.606 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2CC=C)CC1 ZINC000855169940 635476245 /nfs/dbraw/zinc/47/62/45/635476245.db2.gz GZMSPUPTZWUDMK-WBVHZDCISA-N 0 3 288.435 2.583 20 30 CFEDHN CCCCCCN(C)CC(=O)N1CCC[C@H](CC#N)C1 ZINC000855254367 635494374 /nfs/dbraw/zinc/49/43/74/635494374.db2.gz JFFHVXMXKQEGPB-OAHLLOKOSA-N 0 3 279.428 2.651 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000855393277 635530312 /nfs/dbraw/zinc/53/03/12/635530312.db2.gz QYKCQHASASSRDL-GJZGRUSLSA-N 0 3 290.451 2.520 20 30 CFEDHN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000114617598 635866829 /nfs/dbraw/zinc/86/68/29/635866829.db2.gz IYXPBINWALDCKN-OCCSQVGLSA-N 0 3 276.380 2.534 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H](CCCC)C(C)C ZINC000857720910 636016373 /nfs/dbraw/zinc/01/63/73/636016373.db2.gz BMRZHXXNGQKRFJ-OAHLLOKOSA-N 0 3 266.429 2.520 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CC=CC1 ZINC000158627306 650232843 /nfs/dbraw/zinc/23/28/43/650232843.db2.gz GMRMBSRLOLTDBO-GFCCVEGCSA-N 0 3 265.316 2.716 20 30 CFEDHN C=CCC[C@H](CC)NC(c1ccnn1C)c1ccnn1C ZINC000858581249 636299119 /nfs/dbraw/zinc/29/91/19/636299119.db2.gz GSDVQXLJUQWUCH-ZDUSSCGKSA-N 0 3 287.411 2.577 20 30 CFEDHN C#CCCOC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000858914838 636382595 /nfs/dbraw/zinc/38/25/95/636382595.db2.gz CPMQBPXKNQHTDR-GOEBONIOSA-N 0 3 286.375 2.571 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015609186 651205652 /nfs/dbraw/zinc/20/56/52/651205652.db2.gz AEABZPSZOKKZND-SNVBAGLBSA-N 0 3 299.827 2.567 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccns1 ZINC000860051640 636769636 /nfs/dbraw/zinc/76/96/36/636769636.db2.gz QMILMXPWOPZEEQ-LLVKDONJSA-N 0 3 273.361 2.744 20 30 CFEDHN CCC[C@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000860470629 636892313 /nfs/dbraw/zinc/89/23/13/636892313.db2.gz RKFHCCXUOMBLLL-KBPBESRZSA-N 0 3 288.347 2.539 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000860483164 636894502 /nfs/dbraw/zinc/89/45/02/636894502.db2.gz PXIRHBGBAQCVON-NEPJUHHUSA-N 0 3 297.314 2.516 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC1CCOCC1 ZINC000117531583 636896641 /nfs/dbraw/zinc/89/66/41/636896641.db2.gz YTJALNNCLYXDAD-CYBMUJFWSA-N 0 3 297.358 2.566 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000862402166 637358937 /nfs/dbraw/zinc/35/89/37/637358937.db2.gz IOBIXWPZZXBDDK-CQSZACIVSA-N 0 3 288.391 2.653 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ncc(CN(C)C)s2)C1 ZINC000862439948 637378832 /nfs/dbraw/zinc/37/88/32/637378832.db2.gz CEIOHRFKJFXXRK-GFCCVEGCSA-N 0 3 265.426 2.603 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2nc3ccccc3n2CC)C1 ZINC000862443786 637383748 /nfs/dbraw/zinc/38/37/48/637383748.db2.gz UCPIYVQOYWWOPZ-CQSZACIVSA-N 0 3 267.376 2.901 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(OC)ccc2OCOC)C1 ZINC000862444618 637385052 /nfs/dbraw/zinc/38/50/52/637385052.db2.gz DGOULOXDGGWQDR-AWEZNQCLSA-N 0 3 289.375 2.523 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000862445667 637387729 /nfs/dbraw/zinc/38/77/29/637387729.db2.gz ZEYHYHUPFCBHSZ-CQSZACIVSA-N 0 3 265.360 2.922 20 30 CFEDHN Cc1ccc2c(c1)C(=NNc1ccnc(C)c1)CC2 ZINC000863158684 637573319 /nfs/dbraw/zinc/57/33/19/637573319.db2.gz MAIGGLYKCAKFDG-UHFFFAOYSA-N 0 3 251.333 2.883 20 30 CFEDHN COc1ccc2c(c1)C(=NNc1ccnc(C)c1)CCCO2 ZINC000863159275 637574345 /nfs/dbraw/zinc/57/43/45/637574345.db2.gz JWISPHILIZIRDM-UHFFFAOYSA-N 0 3 297.358 2.809 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2C[C@H](OC)C2)c([O-])c1 ZINC000864345742 637947002 /nfs/dbraw/zinc/94/70/02/637947002.db2.gz FJFQXZRVXSYBBJ-SJCVEMRCSA-N 0 3 276.380 2.835 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H]1CCC(C)(C)O1 ZINC000189720438 650395230 /nfs/dbraw/zinc/39/52/30/650395230.db2.gz QJCJCNNNGDJREU-OAHLLOKOSA-N 0 3 273.376 2.746 20 30 CFEDHN C=CCCCN(C)Cn1nccc1-c1cccnc1 ZINC000076664937 650396882 /nfs/dbraw/zinc/39/68/82/650396882.db2.gz VVPJVTYLAOKMPU-UHFFFAOYSA-N 0 3 256.353 2.801 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)CC2CCCC2)c1 ZINC000076748967 650401295 /nfs/dbraw/zinc/40/12/95/650401295.db2.gz ONMNQUHLXFPNID-UHFFFAOYSA-N 0 3 270.376 2.728 20 30 CFEDHN C[C@H]1CCCN1CCNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865563871 638426838 /nfs/dbraw/zinc/42/68/38/638426838.db2.gz BSKATOUTXRRKGY-JTQLQIEISA-N 0 3 292.314 2.502 20 30 CFEDHN C=CCOc1ccccc1CNc1cc2n(n1)CCN(C)C2 ZINC000865845086 638608921 /nfs/dbraw/zinc/60/89/21/638608921.db2.gz HBHDBMMOQFTOGO-UHFFFAOYSA-N 0 3 298.390 2.505 20 30 CFEDHN CC(C)n1ccnc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000865846914 638610274 /nfs/dbraw/zinc/61/02/74/638610274.db2.gz AWVAHQPXYGMYBW-INIZCTEOSA-N 0 3 280.375 2.593 20 30 CFEDHN Cc1csc(CN[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865848738 638611340 /nfs/dbraw/zinc/61/13/40/638611340.db2.gz PMJIYQIRQSCHHL-AWEZNQCLSA-N 0 3 269.373 2.580 20 30 CFEDHN Cc1cnc(CN[C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865848547 638611716 /nfs/dbraw/zinc/61/17/16/638611716.db2.gz UJPJECATHRXRGT-AWEZNQCLSA-N 0 3 269.373 2.580 20 30 CFEDHN CCN(CC)CCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866211395 638771368 /nfs/dbraw/zinc/77/13/68/638771368.db2.gz HGNZXSCNGQUAJH-CYBMUJFWSA-N 0 3 275.396 2.646 20 30 CFEDHN C=CCC[C@H](CC)NCc1cc(C(=O)OCC)no1 ZINC000866514812 638833890 /nfs/dbraw/zinc/83/38/90/638833890.db2.gz SHMHILJJEANZFJ-NSHDSACASA-N 0 3 266.341 2.686 20 30 CFEDHN CCn1ccnc1[C@@H](C)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000866615148 638855431 /nfs/dbraw/zinc/85/54/31/638855431.db2.gz BNXAZHGDUAEHGB-WBMJQRKESA-N 0 3 280.375 2.593 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867989174 638912141 /nfs/dbraw/zinc/91/21/41/638912141.db2.gz DBKJLXALFUNFTF-IUODEOHRSA-N 0 3 288.391 2.793 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867989176 638912177 /nfs/dbraw/zinc/91/21/77/638912177.db2.gz DBKJLXALFUNFTF-WFASDCNBSA-N 0 3 288.391 2.793 20 30 CFEDHN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1ccccn1 ZINC000870136668 639527964 /nfs/dbraw/zinc/52/79/64/639527964.db2.gz QQNVHIRDZZMFMV-OAHLLOKOSA-N 0 3 294.358 2.958 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)C1(N(C)C)CCC1 ZINC000870282682 639578075 /nfs/dbraw/zinc/57/80/75/639578075.db2.gz NELNLJLLTJVKKU-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CC1(C)Cc2ccc(C(=O)C(C#N)c3ccncn3)cc2O1 ZINC000870286836 639581201 /nfs/dbraw/zinc/58/12/01/639581201.db2.gz DKZJVSZORKKXNC-ZDUSSCGKSA-N 0 3 293.326 2.680 20 30 CFEDHN Cc1cccc(C#N)c1SCCCN1CCN(C)CC1 ZINC000871691593 641407543 /nfs/dbraw/zinc/40/75/43/641407543.db2.gz ZISWKNSJXRYZAV-UHFFFAOYSA-N 0 3 289.448 2.596 20 30 CFEDHN CCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000193529390 650666226 /nfs/dbraw/zinc/66/62/26/650666226.db2.gz UEXLHHUQPCJUTG-NSHDSACASA-N 0 3 299.355 2.667 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCCc3ccccc3C2)nn1 ZINC000872078969 641611286 /nfs/dbraw/zinc/61/12/86/641611286.db2.gz FKJGPTYZWHICCM-KRWDZBQOSA-N 0 3 296.418 2.891 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000873193223 642058803 /nfs/dbraw/zinc/05/88/03/642058803.db2.gz JZKQRGVPHYOTEW-HZPDHXFCSA-N 0 3 270.332 2.753 20 30 CFEDHN N#Cc1cc2ccccc2nc1N[C@@H]1CCN(C2CC2)C1 ZINC000083686368 650765759 /nfs/dbraw/zinc/76/57/59/650765759.db2.gz CMSUYLVPBYYODO-CQSZACIVSA-N 0 3 278.359 2.755 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000876321347 642823851 /nfs/dbraw/zinc/82/38/51/642823851.db2.gz MNNNPBZIINSZJD-OAHLLOKOSA-N 0 3 291.439 2.635 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)C1CCCCC1 ZINC000876546981 642915121 /nfs/dbraw/zinc/91/51/21/642915121.db2.gz COXXMQIYKRLPBR-LBPRGKRZSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)cc(C)c1 ZINC000876547719 642915913 /nfs/dbraw/zinc/91/59/13/642915913.db2.gz XKWZNPHYKYWDOE-LBPRGKRZSA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCCC(C)C ZINC000876548066 642916626 /nfs/dbraw/zinc/91/66/26/642916626.db2.gz RYIGWNGPYTXCNO-NWDGAFQWSA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCCCCC ZINC000876549014 642916746 /nfs/dbraw/zinc/91/67/46/642916746.db2.gz YEAXAKZRSRMSBL-RYUDHWBXSA-N 0 3 260.809 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)CC(C)(C)C ZINC000876549838 642917472 /nfs/dbraw/zinc/91/74/72/642917472.db2.gz WPRDSLKBRJLPNU-JTQLQIEISA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1CC ZINC000876553154 642918360 /nfs/dbraw/zinc/91/83/60/642918360.db2.gz IORQCZNTDUMOME-NSHDSACASA-N 0 3 252.745 2.657 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccnn1C1CCCCC1 ZINC000876555767 642920250 /nfs/dbraw/zinc/92/02/50/642920250.db2.gz FZTAVVQAFKTWEN-GFCCVEGCSA-N 0 3 296.802 2.797 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccccc1C ZINC000876557359 642920354 /nfs/dbraw/zinc/92/03/54/642920354.db2.gz FVWWKMIICWDMNO-YPMHNXCESA-N 0 3 266.772 2.642 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2sccc2[C@H]1C ZINC000876567218 642926679 /nfs/dbraw/zinc/92/66/79/642926679.db2.gz FVJUVKZXSCZJAY-KOLCDFICSA-N 0 3 284.812 2.664 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000876570674 642928640 /nfs/dbraw/zinc/92/86/40/642928640.db2.gz LCZZQAGPAMHQMS-KBPBESRZSA-N 0 3 278.783 2.820 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000876581744 642932916 /nfs/dbraw/zinc/93/29/16/642932916.db2.gz PBZFZRZEKANYTD-GWCFXTLKSA-N 0 3 284.762 2.815 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccccc1OC(C)C ZINC000876583953 642933478 /nfs/dbraw/zinc/93/34/78/642933478.db2.gz BZWCTTVLKRFKEY-LLVKDONJSA-N 0 3 282.771 2.882 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCCC)c1 ZINC000876584689 642934246 /nfs/dbraw/zinc/93/42/46/642934246.db2.gz MINZDULZDNVBNC-ZDUSSCGKSA-N 0 3 282.771 2.884 20 30 CFEDHN CCOC1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876597837 642939454 /nfs/dbraw/zinc/93/94/54/642939454.db2.gz UVDKEKGEHPDFSJ-UHFFFAOYSA-N 0 3 287.407 2.625 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](N)CC(=C)Cl ZINC000876600319 642940746 /nfs/dbraw/zinc/94/07/46/642940746.db2.gz OYFBEOCGCYFJER-CQSZACIVSA-N 0 3 278.783 2.671 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000876603464 642942097 /nfs/dbraw/zinc/94/20/97/642942097.db2.gz SQIRIVDQFSMAQK-MFKMUULPSA-N 0 3 278.783 2.997 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccc(Cl)cc21 ZINC000876632289 642950074 /nfs/dbraw/zinc/95/00/74/642950074.db2.gz SWGUUXYFMBYSQG-NSHDSACASA-N 0 3 285.174 2.699 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1CC(C)(C)C ZINC000876630164 642950197 /nfs/dbraw/zinc/95/01/97/642950197.db2.gz ZWOUKCXLOASIOW-NWDGAFQWSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cccc(CC)c21 ZINC000876632261 642951570 /nfs/dbraw/zinc/95/15/70/642951570.db2.gz RVLHEHHXMLCPOI-ZDUSSCGKSA-N 0 3 278.783 2.608 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)CCC1CCCCC1 ZINC000876636850 642952078 /nfs/dbraw/zinc/95/20/78/642952078.db2.gz MCTXJWWZDMTKSQ-CYBMUJFWSA-N 0 3 272.820 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)Cc1ccc(C)cc1C ZINC000876651992 642959273 /nfs/dbraw/zinc/95/92/73/642959273.db2.gz FPKDTEQTKMMEJH-DZGCQCFKSA-N 0 3 294.826 2.821 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000876669653 642965359 /nfs/dbraw/zinc/96/53/59/642965359.db2.gz UEAYXXDWUSBVNB-GWCFXTLKSA-N 0 3 264.756 2.560 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC2(CC2)c2ccccc21 ZINC000876669987 642966145 /nfs/dbraw/zinc/96/61/45/642966145.db2.gz CVZMQTCWXQUBRN-LBPRGKRZSA-N 0 3 276.767 2.535 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000876674436 642968188 /nfs/dbraw/zinc/96/81/88/642968188.db2.gz KEHHWDXJPRTJAE-HUUCEWRRSA-N 0 3 292.810 2.594 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1CC(C)C ZINC000876679654 642970737 /nfs/dbraw/zinc/97/07/37/642970737.db2.gz HUJKNCONSUNEPS-QWHCGFSZSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000876688918 642973640 /nfs/dbraw/zinc/97/36/40/642973640.db2.gz YHMAMYPTUONFIX-GOEBONIOSA-N 0 3 292.810 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000876688976 642973677 /nfs/dbraw/zinc/97/36/77/642973677.db2.gz YHMAMYPTUONFIX-HOCLYGCPSA-N 0 3 292.810 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC000876699072 642978807 /nfs/dbraw/zinc/97/88/07/642978807.db2.gz PLYFIZISDZKIIU-UTUOFQBUSA-N 0 3 290.860 2.589 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H](SCC)C1 ZINC000876701802 642980189 /nfs/dbraw/zinc/98/01/89/642980189.db2.gz YCWSIHDHIZTNLZ-TUAOUCFPSA-N 0 3 290.860 2.637 20 30 CFEDHN C=CC1CCN(Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000876727583 642984375 /nfs/dbraw/zinc/98/43/75/642984375.db2.gz NYWGYSKWDCZKTR-UHFFFAOYSA-N 0 3 258.321 2.931 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cc(C#N)cnc2Cl)C[C@@H]1C ZINC000876755805 642995993 /nfs/dbraw/zinc/99/59/93/642995993.db2.gz MKHZQPTXLCYWCL-RYUDHWBXSA-N 0 3 292.814 2.521 20 30 CFEDHN COc1ccc(CNCc2ccc(C#N)cc2)cc1C#N ZINC000087823759 650805964 /nfs/dbraw/zinc/80/59/64/650805964.db2.gz MFAVMHIXKCUPHV-UHFFFAOYSA-N 0 3 277.327 2.728 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(C(F)F)cc1 ZINC000876883380 643049905 /nfs/dbraw/zinc/04/99/05/643049905.db2.gz AHUQHGOTJRNVJM-NSHDSACASA-N 0 3 288.725 2.710 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000876887777 643052886 /nfs/dbraw/zinc/05/28/86/643052886.db2.gz GKVPMCWQBYSXEM-ONERCXAPSA-N 0 3 292.810 2.896 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000876909671 643060729 /nfs/dbraw/zinc/06/07/29/643060729.db2.gz FCKYOHWRQIRQCU-AWEZNQCLSA-N 0 3 296.798 2.907 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(C)c2)CCC1 ZINC000876935534 643070662 /nfs/dbraw/zinc/07/06/62/643070662.db2.gz APCGBLPLAVSUTA-AWEZNQCLSA-N 0 3 292.810 2.960 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000876935583 643071636 /nfs/dbraw/zinc/07/16/36/643071636.db2.gz CCDSVVXNEDTMGB-ZIAGYGMSSA-N 0 3 284.831 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C1CCC(F)(F)CC1 ZINC000876954499 643078303 /nfs/dbraw/zinc/07/83/03/643078303.db2.gz JKBZTGXOGQKRJB-ONGXEEELSA-N 0 3 294.773 2.787 20 30 CFEDHN CCC(CC)(CCO)CNCc1cc(C#N)cnc1Cl ZINC000877067619 643131994 /nfs/dbraw/zinc/13/19/94/643131994.db2.gz HIMYOSNCLOCLMP-UHFFFAOYSA-N 0 3 295.814 2.885 20 30 CFEDHN C[C@@H](C[C@H](O)c1ccccc1)NCc1cccc(C#N)n1 ZINC000877127447 643166194 /nfs/dbraw/zinc/16/61/94/643166194.db2.gz HFKBTCQUDWJISM-GUYCJALGSA-N 0 3 281.359 2.555 20 30 CFEDHN CO[C@H]1CCC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877132155 643169993 /nfs/dbraw/zinc/16/99/93/643169993.db2.gz WHLQTYWVFGJJHM-YPMHNXCESA-N 0 3 279.771 2.511 20 30 CFEDHN C#CCCCCCCN1CCN(Cc2cccnc2)CC1 ZINC000877169435 643186531 /nfs/dbraw/zinc/18/65/31/643186531.db2.gz PFQWRLSEEYKWPL-UHFFFAOYSA-N 0 3 285.435 2.783 20 30 CFEDHN C[C@H](CC#N)NC[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000877320792 643236526 /nfs/dbraw/zinc/23/65/26/643236526.db2.gz VYYKOYOTIOHHFJ-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN CC(C)(C)OC(=O)NCC(C)(C)CNCC(C)(C)C#N ZINC000877322544 643238112 /nfs/dbraw/zinc/23/81/12/643238112.db2.gz LFMOAHXPEUJNJD-UHFFFAOYSA-N 0 3 283.416 2.677 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877496942 643310078 /nfs/dbraw/zinc/31/00/78/643310078.db2.gz ZKQVVMLQIHZMDG-XJKSGUPXSA-N 0 3 261.365 2.771 20 30 CFEDHN COc1ccc(O)c([C@H](C)NCc2cccc(C#N)n2)c1 ZINC000877532996 643336283 /nfs/dbraw/zinc/33/62/83/643336283.db2.gz JAGVNLBUYBYNSJ-NSHDSACASA-N 0 3 283.331 2.518 20 30 CFEDHN C#CCCCCCCNCc1nccc(OC)c1F ZINC000877630758 643415621 /nfs/dbraw/zinc/41/56/21/643415621.db2.gz MBPIHHLJBCAZLE-UHFFFAOYSA-N 0 3 264.344 2.903 20 30 CFEDHN C[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000877631313 643416405 /nfs/dbraw/zinc/41/64/05/643416405.db2.gz GVDYFYPIHCIJSE-KGLIPLIRSA-N 0 3 287.407 2.624 20 30 CFEDHN C#C[C@H](NCc1cc(F)cc(OCC)c1)C1CCOCC1 ZINC000877636853 643421154 /nfs/dbraw/zinc/42/11/54/643421154.db2.gz CFCQRFMTKXOEDO-KRWDZBQOSA-N 0 3 291.366 2.742 20 30 CFEDHN C#CCCN(CCOC)Cc1csc(C)c1C ZINC000877640687 643425264 /nfs/dbraw/zinc/42/52/64/643425264.db2.gz DPCVNEISGLUMFX-UHFFFAOYSA-N 0 3 251.395 2.837 20 30 CFEDHN N#Cc1cnc(Cl)c(CN2CC[C@H]3CSC[C@H]3C2)c1 ZINC000877737847 643499124 /nfs/dbraw/zinc/49/91/24/643499124.db2.gz LIVSZWVZBKSYBX-WCQYABFASA-N 0 3 293.823 2.792 20 30 CFEDHN COC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000877818709 643582954 /nfs/dbraw/zinc/58/29/54/643582954.db2.gz NMEZEGNSUAZZPA-LBPRGKRZSA-N 0 3 292.404 2.785 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)CC1(O)CCCC1 ZINC000877916924 643639489 /nfs/dbraw/zinc/63/94/89/643639489.db2.gz MJOJKTWBCVXXKF-QGZVFWFLSA-N 0 3 289.419 2.731 20 30 CFEDHN C=CC[C@H](C)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000878100547 643735700 /nfs/dbraw/zinc/73/57/00/643735700.db2.gz WDJLOBKVQXFMPU-SWLSCSKDSA-N 0 3 276.355 2.827 20 30 CFEDHN C=CC[C@@H](C)N1CCN(c2ncc(CC)s2)CC1 ZINC000878134410 643754516 /nfs/dbraw/zinc/75/45/16/643754516.db2.gz PLQMJYUQUQTSSE-GFCCVEGCSA-N 0 3 265.426 2.792 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2nc(C)c(C)s2)CC1 ZINC000878297668 643827014 /nfs/dbraw/zinc/82/70/14/643827014.db2.gz MWRMPYIYXRIGMS-NSHDSACASA-N 0 3 265.426 2.847 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3ccncc3)C2)o1 ZINC000878629324 643964190 /nfs/dbraw/zinc/96/41/90/643964190.db2.gz VEQIKEISMKXTJV-CYBMUJFWSA-N 0 3 253.305 2.536 20 30 CFEDHN Cn1cc([C@H]2CN(Cc3ccc(C#N)o3)CC2(C)C)cn1 ZINC000878658484 643979983 /nfs/dbraw/zinc/97/99/83/643979983.db2.gz XFMZITNWFHQPJA-OAHLLOKOSA-N 0 3 284.363 2.510 20 30 CFEDHN CN1CCN(Cc2ccc(C#N)o2)CC12CCCCC2 ZINC000878666264 643984247 /nfs/dbraw/zinc/98/42/47/643984247.db2.gz QWEXWBFQZKDZRL-UHFFFAOYSA-N 0 3 273.380 2.602 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)c(Cl)n1 ZINC000878680117 643987858 /nfs/dbraw/zinc/98/78/58/643987858.db2.gz HYENJXFWFKKFEL-OLZOCXBDSA-N 0 3 266.772 2.867 20 30 CFEDHN C#CCCN1CCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000127337906 644027864 /nfs/dbraw/zinc/02/78/64/644027864.db2.gz HDRGMKDGOXBGDJ-INIZCTEOSA-N 0 3 256.393 2.697 20 30 CFEDHN C=C(Cl)CN1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000878798292 644030851 /nfs/dbraw/zinc/03/08/51/644030851.db2.gz WSINSVPDGDVCCN-UHFFFAOYSA-N 0 3 282.819 2.935 20 30 CFEDHN C=C(Cl)CN1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000878798292 644030855 /nfs/dbraw/zinc/03/08/55/644030855.db2.gz WSINSVPDGDVCCN-UHFFFAOYSA-N 0 3 282.819 2.935 20 30 CFEDHN C#CCCCCCN1CCc2nc(C3CC3)ncc2C1 ZINC000879050557 644124839 /nfs/dbraw/zinc/12/48/39/644124839.db2.gz GLXNSRCMFMZBNR-UHFFFAOYSA-N 0 3 269.392 2.906 20 30 CFEDHN COc1cc(CN(C)CCc2cccc(C#N)c2)ccn1 ZINC000879432791 644270870 /nfs/dbraw/zinc/27/08/70/644270870.db2.gz GWWNCLAJKVUIAR-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C=C(CC)CN1CCN[C@@H](c2cccc(OC)c2)C1 ZINC000879523898 644303154 /nfs/dbraw/zinc/30/31/54/644303154.db2.gz HGRJLZRKQNQAIK-MRXNPFEDSA-N 0 3 260.381 2.608 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]3CSC[C@H]3C2)ccc1F ZINC000879558244 644318783 /nfs/dbraw/zinc/31/87/83/644318783.db2.gz HZYKTYQLCQISOL-TZMCWYRMSA-N 0 3 276.380 2.882 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000879562227 644321691 /nfs/dbraw/zinc/32/16/91/644321691.db2.gz CADIRZWLPFYLGS-HUUCEWRRSA-N 0 3 275.392 2.862 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879563656 644324412 /nfs/dbraw/zinc/32/44/12/644324412.db2.gz UASYGYMQHSHTAL-GJZGRUSLSA-N 0 3 288.416 2.752 20 30 CFEDHN Cc1noc(C)c1[C@@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000092332378 650918604 /nfs/dbraw/zinc/91/86/04/650918604.db2.gz GXEXNOMBSKVVNB-BMIGLBTASA-N 0 3 285.347 2.547 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN(C)C[C@@H]2CCCO2)cc1 ZINC000128030354 644437000 /nfs/dbraw/zinc/43/70/00/644437000.db2.gz WRMXKSMCVAGPSY-CJNGLKHVSA-N 0 3 274.364 2.588 20 30 CFEDHN C[C@@]12CN(C[C@@H](C#N)CCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000957082942 650935218 /nfs/dbraw/zinc/93/52/18/650935218.db2.gz PTAIYSOHKZFOKD-LJIZCISZSA-N 0 3 257.381 2.798 20 30 CFEDHN Cn1cc(CN2CCC(F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000880239685 644603568 /nfs/dbraw/zinc/60/35/68/644603568.db2.gz CFLACDXZBVXOFE-UHFFFAOYSA-N 0 3 298.365 2.893 20 30 CFEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](CF)C1)c1ccccc1 ZINC000880300708 644641838 /nfs/dbraw/zinc/64/18/38/644641838.db2.gz HPXYZWGENHKCLO-WBVHZDCISA-N 0 3 288.366 2.718 20 30 CFEDHN C=CCCC[C@@H](NCC(=O)N(C)OC)c1ccccc1 ZINC000880390237 644685718 /nfs/dbraw/zinc/68/57/18/644685718.db2.gz PITLTKUDAYHMKG-OAHLLOKOSA-N 0 3 276.380 2.693 20 30 CFEDHN CC(C)(C)OCCCN1CCN(CCC(C)(C)C#N)CC1 ZINC000880413029 644696245 /nfs/dbraw/zinc/69/62/45/644696245.db2.gz GZAQMHPFSCAANM-UHFFFAOYSA-N 0 3 295.471 2.749 20 30 CFEDHN CSCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000130999428 645605632 /nfs/dbraw/zinc/60/56/32/645605632.db2.gz KLQLYJVMWLFWTR-CYBMUJFWSA-N 0 3 290.388 2.786 20 30 CFEDHN C#CC[C@H](CO)NCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000883124863 645613978 /nfs/dbraw/zinc/61/39/78/645613978.db2.gz RXKRTZYMGDMSFZ-GFCCVEGCSA-N 0 3 291.700 2.833 20 30 CFEDHN C=CCC[C@H](NCc1ccn(C)n1)[C@@H]1Cc2ccccc2O1 ZINC000883208214 645665834 /nfs/dbraw/zinc/66/58/34/645665834.db2.gz BDQFSFOAFWDWNB-WMZOPIPTSA-N 0 3 297.402 2.848 20 30 CFEDHN C=CCC[C@H](NCc1cnc(CC)o1)[C@H]1CCCO1 ZINC000883227125 645677460 /nfs/dbraw/zinc/67/74/60/645677460.db2.gz LNPKAWUYSZXEMA-UONOGXRCSA-N 0 3 264.369 2.840 20 30 CFEDHN C#CC1(NCc2ccc3c(c2)sc(=O)n3C)CCCC1 ZINC000883362971 645769423 /nfs/dbraw/zinc/76/94/23/645769423.db2.gz RXCRBNHELKPWJU-UHFFFAOYSA-N 0 3 286.400 2.636 20 30 CFEDHN C#CC1(NCc2cnc3ccc(C)cn23)CCCC1 ZINC000883362530 645769684 /nfs/dbraw/zinc/76/96/84/645769684.db2.gz GEOZQXUSPRCVAE-UHFFFAOYSA-N 0 3 253.349 2.678 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H]1CCc2c1c(F)ccc2F ZINC000883390083 645788699 /nfs/dbraw/zinc/78/86/99/645788699.db2.gz FIEDNJJTMSZFLZ-HZMBPMFUSA-N 0 3 267.319 2.869 20 30 CFEDHN C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000883391578 645790244 /nfs/dbraw/zinc/79/02/44/645790244.db2.gz NWDZMABXTGPZEY-CMPLNLGQSA-N 0 3 253.317 2.509 20 30 CFEDHN C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000883391580 645790315 /nfs/dbraw/zinc/79/03/15/645790315.db2.gz NWDZMABXTGPZEY-PWSUYJOCSA-N 0 3 253.317 2.509 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@@H](C)c1cccc(O)c1F ZINC000883393079 645791961 /nfs/dbraw/zinc/79/19/61/645791961.db2.gz VIGSPYOYODDAJD-WDEREUQCSA-N 0 3 253.317 2.509 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1ccncc1Cl ZINC000883392936 645792081 /nfs/dbraw/zinc/79/20/81/645792081.db2.gz RJHIUQNJUHTQSZ-QWRGUYRKSA-N 0 3 254.761 2.713 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1nc2ccc(Cl)cc2n1C ZINC000883400384 645796523 /nfs/dbraw/zinc/79/65/23/645796523.db2.gz LFBZCMBMXGIZGL-GFCCVEGCSA-N 0 3 293.798 2.643 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000883400508 645796551 /nfs/dbraw/zinc/79/65/51/645796551.db2.gz OPRSBJCACWWSLF-GFCCVEGCSA-N 0 3 293.798 2.643 20 30 CFEDHN CCCCCC[C@@H](C)NC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884048010 646151068 /nfs/dbraw/zinc/15/10/68/646151068.db2.gz UTPNCAOBQNDYTG-GJEMEMOUSA-N 0 3 291.439 2.601 20 30 CFEDHN CCCCCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)C(C)C ZINC000884081535 646203661 /nfs/dbraw/zinc/20/36/61/646203661.db2.gz BZPOUUFHEMKRRW-CKDBGZEDSA-N 0 3 291.439 2.553 20 30 CFEDHN C=CC(C)(C)CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000884439091 646357251 /nfs/dbraw/zinc/35/72/51/646357251.db2.gz TXFIBBGGJUTQOY-UHFFFAOYSA-N 0 3 274.364 2.709 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885937831 646774859 /nfs/dbraw/zinc/77/48/59/646774859.db2.gz LKYRTDRZVJSLCH-DLBZAZTESA-N 0 3 270.376 2.948 20 30 CFEDHN C[C@@H](c1ccco1)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885967296 646787730 /nfs/dbraw/zinc/78/77/30/646787730.db2.gz LPFKVPGZSLHJMP-STQMWFEESA-N 0 3 262.353 2.717 20 30 CFEDHN Cc1cccc2c1CCN(C[C@H](O)CC1(C#N)CCC1)C2 ZINC000885988419 646797791 /nfs/dbraw/zinc/79/77/91/646797791.db2.gz IZQUDEPGJBZSLR-MRXNPFEDSA-N 0 3 284.403 2.798 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC(C(F)(F)F)CC2)CCC1 ZINC000886024961 646826041 /nfs/dbraw/zinc/82/60/41/646826041.db2.gz ANNIIGAAFLLPAA-GFCCVEGCSA-N 0 3 290.329 2.706 20 30 CFEDHN C#CC[C@H]1CCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000886363829 646987897 /nfs/dbraw/zinc/98/78/97/646987897.db2.gz DVTVNRRSAYBZIR-NHYWBVRUSA-N 0 3 281.758 2.858 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(OC(C)C)ccn2)C1 ZINC000886365799 646989840 /nfs/dbraw/zinc/98/98/40/646989840.db2.gz POOJBWFSPDAQAN-CQSZACIVSA-N 0 3 258.365 2.714 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000886505059 647021915 /nfs/dbraw/zinc/02/19/15/647021915.db2.gz HJKOFNSJUOFMMA-INIZCTEOSA-N 0 3 268.364 2.779 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000886505060 647022548 /nfs/dbraw/zinc/02/25/48/647022548.db2.gz HJKOFNSJUOFMMA-MRXNPFEDSA-N 0 3 268.364 2.779 20 30 CFEDHN C#CCN(C(=O)CCCCCCC)C1CCN(C)CC1 ZINC000886585099 647055379 /nfs/dbraw/zinc/05/53/79/647055379.db2.gz HUQQLZANMBXXJQ-UHFFFAOYSA-N 0 3 278.440 2.903 20 30 CFEDHN C#CCN(C(=O)CCC1CCCCC1)C1CCN(C)CC1 ZINC000886589010 647056170 /nfs/dbraw/zinc/05/61/70/647056170.db2.gz GVPDKKAZZMLBPA-UHFFFAOYSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@@H](N[C@@H](C)c2cccc(F)c2F)C1 ZINC000886661051 647095232 /nfs/dbraw/zinc/09/52/32/647095232.db2.gz LEJPGOLOHWNGFU-QWHCGFSZSA-N 0 3 278.346 2.713 20 30 CFEDHN C#CCN1CCC[C@@H](N[C@@H](C)c2nc(C)sc2C)C1 ZINC000886660923 647095553 /nfs/dbraw/zinc/09/55/53/647095553.db2.gz ILMYENWRSNTVCD-SMDDNHRTSA-N 0 3 277.437 2.508 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886759961 647129696 /nfs/dbraw/zinc/12/96/96/647129696.db2.gz UOEXYBQBZTXCBT-NWDGAFQWSA-N 0 3 280.441 2.892 20 30 CFEDHN C#CC[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000887226539 647243112 /nfs/dbraw/zinc/24/31/12/647243112.db2.gz QQFVKBSUTIBIGL-AWEZNQCLSA-N 0 3 285.391 2.625 20 30 CFEDHN CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C#N)c1[O-] ZINC000924708802 648031579 /nfs/dbraw/zinc/03/15/79/648031579.db2.gz ZUFDENYPVNKNDV-CJNGLKHVSA-N 0 3 287.407 2.646 20 30 CFEDHN Cc1ccccc1[C@@H](CO)N[C@H](C)CC(C)(C)C#N ZINC000925210554 648132570 /nfs/dbraw/zinc/13/25/70/648132570.db2.gz USRCJPKRGPJTCA-UKRRQHHQSA-N 0 3 260.381 2.946 20 30 CFEDHN C=CCC[C@@H](C1CC1)N1CCc2sc(CN)nc2C1 ZINC000925749245 648307853 /nfs/dbraw/zinc/30/78/53/648307853.db2.gz WEIKFJILSFNBJX-ZDUSSCGKSA-N 0 3 277.437 2.705 20 30 CFEDHN CSc1ccc(CN[C@@H](C)c2cnccc2N)cc1C#N ZINC000925773917 648317166 /nfs/dbraw/zinc/31/71/66/648317166.db2.gz QGNICHMDRIIPBQ-NSHDSACASA-N 0 3 298.415 2.939 20 30 CFEDHN Cc1nc(CN)ccc1[C@@H](C)NCc1cc(C#N)ccc1F ZINC000925815129 648331690 /nfs/dbraw/zinc/33/16/90/648331690.db2.gz UACDMTCAQUYAMP-LLVKDONJSA-N 0 3 298.365 2.710 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H]1CCCc2oc(C)nc21 ZINC000926344409 648467901 /nfs/dbraw/zinc/46/79/01/648467901.db2.gz WKGRMJYWCKBZOQ-IOASZLSFSA-N 0 3 276.380 2.931 20 30 CFEDHN C=CCCC1(CN[C@@H](C)c2cnn(C)n2)CCCC1 ZINC000926683124 648574479 /nfs/dbraw/zinc/57/44/79/648574479.db2.gz LAJOTXVFUPCTMU-ZDUSSCGKSA-N 0 3 262.401 2.992 20 30 CFEDHN C=CCOCCC[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926705406 648584033 /nfs/dbraw/zinc/58/40/33/648584033.db2.gz UWYORPVOQKIVLK-NSHDSACASA-N 0 3 253.317 2.775 20 30 CFEDHN Cc1cc(CCN[C@@H](C)c2ccc(C#N)cc2F)nn1C ZINC000926910778 648653681 /nfs/dbraw/zinc/65/36/81/648653681.db2.gz MAIYYVAJNDKPBI-LBPRGKRZSA-N 0 3 286.354 2.633 20 30 CFEDHN COCCCN(CCOC)Cc1cc(Cl)cc(C#N)c1 ZINC000929321160 649030264 /nfs/dbraw/zinc/03/02/64/649030264.db2.gz LXAVWXAMZOZXJF-UHFFFAOYSA-N 0 3 296.798 2.697 20 30 CFEDHN C=C1CCN(C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000929603802 649076030 /nfs/dbraw/zinc/07/60/30/649076030.db2.gz NDIKLLWSUIPPKG-IRXDYDNUSA-N 0 3 275.392 2.513 20 30 CFEDHN C[C@@H](NC[C@H](O)CC#N)c1cccc(C(F)(F)F)c1 ZINC000930184186 649201359 /nfs/dbraw/zinc/20/13/59/649201359.db2.gz XCJHBYXGLMPBOV-BXKDBHETSA-N 0 3 272.270 2.631 20 30 CFEDHN C#CC[C@H](NCC[S@](=O)C(F)(F)F)c1ccccc1 ZINC000930221349 649208717 /nfs/dbraw/zinc/20/87/17/649208717.db2.gz SSPAMGZSSMOKGN-BUXKBTBVSA-N 0 3 289.322 2.609 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930448118 649249335 /nfs/dbraw/zinc/24/93/35/649249335.db2.gz PZRRNFNNBQAVDU-OKILXGFUSA-N 0 3 264.756 2.821 20 30 CFEDHN N#CC[C@@H](O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000930451017 649250022 /nfs/dbraw/zinc/25/00/22/649250022.db2.gz QPPDPVDBROOSRU-TWMKSMIVSA-N 0 3 270.376 2.529 20 30 CFEDHN C[C@@H](NCc1cncc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000930562174 649274773 /nfs/dbraw/zinc/27/47/73/649274773.db2.gz XHBHXUSFHVLGSE-BDJLRTHQSA-N 0 3 299.399 2.807 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1C[C@@H]2C[C@H]1CS2 ZINC000930705478 649311256 /nfs/dbraw/zinc/31/12/56/649311256.db2.gz JRVRLMHEMXBHAN-KBPBESRZSA-N 0 3 258.390 2.865 20 30 CFEDHN C#C[C@@H]1CCCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930884292 649343530 /nfs/dbraw/zinc/34/35/30/649343530.db2.gz CCPWLUJJABURQY-JHJVBQTASA-N 0 3 275.314 2.832 20 30 CFEDHN N#CCOc1ccc(CN2CCC(c3ncco3)CC2)cc1 ZINC000931448523 649429610 /nfs/dbraw/zinc/42/96/10/649429610.db2.gz IHWIRQPNUQUXOM-UHFFFAOYSA-N 0 3 297.358 2.957 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000931466655 649434974 /nfs/dbraw/zinc/43/49/74/649434974.db2.gz FKDLBJIWICOZQO-ROUUACIJSA-N 0 3 293.370 2.651 20 30 CFEDHN CC1(C)[C@H](c2ccccc2F)CCN1C[C@H](O)CC#N ZINC000931553666 649453778 /nfs/dbraw/zinc/45/37/78/649453778.db2.gz JZIDIMNSGQXZIU-OCCSQVGLSA-N 0 3 276.355 2.668 20 30 CFEDHN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C[C@H](O)CC#N ZINC000931688576 649471946 /nfs/dbraw/zinc/47/19/46/649471946.db2.gz IYCKPVDSPHDKKX-CHWSQXEVSA-N 0 3 294.345 2.807 20 30 CFEDHN C=CCC1(O)CCN(CCSc2ccncc2)CC1 ZINC000931751447 649483955 /nfs/dbraw/zinc/48/39/55/649483955.db2.gz YGUOTESDPRHILQ-UHFFFAOYSA-N 0 3 278.421 2.577 20 30 CFEDHN C=CCN1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932041765 649528247 /nfs/dbraw/zinc/52/82/47/649528247.db2.gz AIEMSWUBDMQJDE-UHFFFAOYSA-N 0 3 259.349 2.616 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](c3ccn(C)n3)C2)cc1C#N ZINC000932133162 649546693 /nfs/dbraw/zinc/54/66/93/649546693.db2.gz SJZLKAZOLIAMET-MRXNPFEDSA-N 0 3 294.402 2.980 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN[C@H](c2ccccn2)C2CC2)cc1 ZINC000932375934 649587549 /nfs/dbraw/zinc/58/75/49/649587549.db2.gz BCOIFQLVBOSSDJ-ROUUACIJSA-N 0 3 293.370 2.728 20 30 CFEDHN C#CCN(C[C@H](O)c1cccc(Cl)c1)C(C)C ZINC000932391628 649592500 /nfs/dbraw/zinc/59/25/00/649592500.db2.gz ZSAARYGELOYIER-AWEZNQCLSA-N 0 3 251.757 2.717 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1F)C(C)(C)C ZINC000932462682 649605334 /nfs/dbraw/zinc/60/53/34/649605334.db2.gz CHBIUMJQTWLDJV-CQSZACIVSA-N 0 3 267.319 2.732 20 30 CFEDHN C=CCN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933077262 649670253 /nfs/dbraw/zinc/67/02/53/649670253.db2.gz YANWYOPCSSNHAV-AWEZNQCLSA-N 0 3 259.349 2.523 20 30 CFEDHN C#CCC1(N[C@H](C)c2cc(C)c(C(=O)OC)o2)CCC1 ZINC000933299027 649685666 /nfs/dbraw/zinc/68/56/66/649685666.db2.gz MCNDLRUESMHHKQ-GFCCVEGCSA-N 0 3 275.348 2.971 20 30 CFEDHN C#CCN(CCO[C@@H](C)C#N)[C@H]1CCCc2ccccc21 ZINC000933417095 649692802 /nfs/dbraw/zinc/69/28/02/649692802.db2.gz FQWDIXMVATYMGC-YJBOKZPZSA-N 0 3 282.387 2.928 20 30 CFEDHN CC(C)(C)OC1CC(N2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000933645225 649709690 /nfs/dbraw/zinc/70/96/90/649709690.db2.gz LKNQOKGKEVNJFX-UHFFFAOYSA-N 0 3 293.407 2.670 20 30 CFEDHN CC(C)(C#N)CCCCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933682135 649713535 /nfs/dbraw/zinc/71/35/35/649713535.db2.gz URUCGDJWFWZLKR-CVEARBPZSA-N 0 3 294.439 2.976 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCC[C@H]1C1OCCO1 ZINC000933895387 649729483 /nfs/dbraw/zinc/72/94/83/649729483.db2.gz OVTCXHSODDFADH-INIZCTEOSA-N 0 3 286.375 2.512 20 30 CFEDHN C=CC[C@H]1CCN1Cc1cccc(C(=O)N(C)C)c1 ZINC000934472184 649791070 /nfs/dbraw/zinc/79/10/70/649791070.db2.gz ZSNSMRDKFYNPRJ-HNNXBMFYSA-N 0 3 258.365 2.539 20 30 CFEDHN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000934473006 649791486 /nfs/dbraw/zinc/79/14/86/649791486.db2.gz TXTLLDPSAIUJSJ-KBUPBQIOSA-N 0 3 264.413 2.815 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@]1(C)C1CC1 ZINC000934481613 649793340 /nfs/dbraw/zinc/79/33/40/649793340.db2.gz JDOQSDNAYKDFBX-HNNXBMFYSA-N 0 3 250.386 2.817 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2Cc3ncccc3N3CCC[C@H]3C2)C1 ZINC000934492968 649794460 /nfs/dbraw/zinc/79/44/60/649794460.db2.gz GGFNAFAFDJHFGD-KFWWJZLASA-N 0 3 282.391 2.558 20 30 CFEDHN C#C[C@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000934512711 649796428 /nfs/dbraw/zinc/79/64/28/649796428.db2.gz VPBFRTOCPROHJC-HNNXBMFYSA-N 0 3 266.344 2.928 20 30 CFEDHN C#C[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000934512712 649796468 /nfs/dbraw/zinc/79/64/68/649796468.db2.gz VPBFRTOCPROHJC-OAHLLOKOSA-N 0 3 266.344 2.928 20 30 CFEDHN C=CCCCN(CC)[C@@H](C)C(=O)Nc1nccs1 ZINC000934647765 649811806 /nfs/dbraw/zinc/81/18/06/649811806.db2.gz FRZKRBDMZFXQDX-NSHDSACASA-N 0 3 267.398 2.758 20 30 CFEDHN CSCC(C)(C)NCc1ccc(C#N)cc1F ZINC000934678522 649814828 /nfs/dbraw/zinc/81/48/28/649814828.db2.gz PVPGEAUEERNAFH-UHFFFAOYSA-N 0 3 252.358 2.929 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001006669975 651128325 /nfs/dbraw/zinc/12/83/25/651128325.db2.gz WRGYIDPNXCJINJ-AWEZNQCLSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001006836798 651129690 /nfs/dbraw/zinc/12/96/90/651129690.db2.gz WJVFASUIRVAQLJ-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001007005784 651130475 /nfs/dbraw/zinc/13/04/75/651130475.db2.gz PQOPKIRUBWCIOB-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001007884959 651140151 /nfs/dbraw/zinc/14/01/51/651140151.db2.gz YAVAGGDMGVRNSN-KRWDZBQOSA-N 0 3 298.430 2.857 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001009279971 651157734 /nfs/dbraw/zinc/15/77/34/651157734.db2.gz DAUWRVAZBNAVKO-GFCCVEGCSA-N 0 3 293.798 2.505 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001009368873 651159639 /nfs/dbraw/zinc/15/96/39/651159639.db2.gz HOKBLILEHZNEIA-LLVKDONJSA-N 0 3 298.333 2.988 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001014705959 651191033 /nfs/dbraw/zinc/19/10/33/651191033.db2.gz QMHBJRCFBUZLBN-ZDUSSCGKSA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001015373298 651199984 /nfs/dbraw/zinc/19/99/84/651199984.db2.gz PHBPTWHOKVMWKV-GOSISDBHSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001015596036 651205311 /nfs/dbraw/zinc/20/53/11/651205311.db2.gz OVFBLZYLEOIUPW-ZDUSSCGKSA-N 0 3 276.380 2.783 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001015607914 651205749 /nfs/dbraw/zinc/20/57/49/651205749.db2.gz CHBPSRLUXVAHEG-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015793207 651214383 /nfs/dbraw/zinc/21/43/83/651214383.db2.gz PMZDQWBJAJIMTK-LLVKDONJSA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001015952738 651218984 /nfs/dbraw/zinc/21/89/84/651218984.db2.gz BAHMEDYFTWGWRB-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001015971422 651219519 /nfs/dbraw/zinc/21/95/19/651219519.db2.gz ATPBQYMUYCPSNA-DZGCQCFKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001015971425 651219587 /nfs/dbraw/zinc/21/95/87/651219587.db2.gz ATPBQYMUYCPSNA-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016077165 651224317 /nfs/dbraw/zinc/22/43/17/651224317.db2.gz NSAUXFIEQQSYBG-QGZVFWFLSA-N 0 3 284.403 2.637 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001016165518 651226429 /nfs/dbraw/zinc/22/64/29/651226429.db2.gz TVEZMFRFSAGDFX-HNNXBMFYSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1 ZINC001017668891 651255567 /nfs/dbraw/zinc/25/55/67/651255567.db2.gz DXYBXPHBMFKHIT-HDICACEKSA-N 0 3 298.430 2.871 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001017683880 651256105 /nfs/dbraw/zinc/25/61/05/651256105.db2.gz LCKRRKPJASTMQK-FIDHJVLJSA-N 0 3 288.435 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001018317591 651269025 /nfs/dbraw/zinc/26/90/25/651269025.db2.gz GTEUDGUUIKTBKI-CWRNSKLLSA-N 0 3 276.424 2.674 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C)c3ccccc23)C1 ZINC001019438458 651285055 /nfs/dbraw/zinc/28/50/55/651285055.db2.gz NRJFYTITOKBVLJ-HNNXBMFYSA-N 0 3 292.382 2.586 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867499 782189825 /nfs/dbraw/zinc/18/98/25/782189825.db2.gz NFZAHIHDJRPBSG-YESZJQIVSA-N 0 3 290.451 2.922 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C2(C#N)CCC2)cn1 ZINC001164640726 719197670 /nfs/dbraw/zinc/19/76/70/719197670.db2.gz VQCVOLIZKSZLPO-UONOGXRCSA-N 0 3 284.407 2.556 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954746 782215727 /nfs/dbraw/zinc/21/57/27/782215727.db2.gz ITEXUWCFYFEWHO-CYBMUJFWSA-N 0 3 294.345 2.687 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001086026277 782243821 /nfs/dbraw/zinc/24/38/21/782243821.db2.gz DNROGQITOANFMZ-MELADBBJSA-N 0 3 282.815 2.580 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001086190254 782285978 /nfs/dbraw/zinc/28/59/78/782285978.db2.gz UKQBDXHZLQKTLU-YIYPIFLZSA-N 0 3 284.831 2.660 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCN1CCCC ZINC001269278771 777154865 /nfs/dbraw/zinc/15/48/65/777154865.db2.gz PDDIHMCQUWRJID-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN CN1CCC(Oc2cc(C#N)ccc2Br)CC1 ZINC001229226367 776758344 /nfs/dbraw/zinc/75/83/44/776758344.db2.gz QVEBLJRCNRVTTM-UHFFFAOYSA-N 0 3 295.180 2.794 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H]1C ZINC001088765158 778483215 /nfs/dbraw/zinc/48/32/15/778483215.db2.gz RFNZZGWNVGYBIU-KDOFPFPSSA-N 0 3 298.430 2.872 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001034364431 780959773 /nfs/dbraw/zinc/95/97/73/780959773.db2.gz QKBKHULGXLMJDJ-HNNXBMFYSA-N 0 3 289.423 2.587 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C)c2cccnc12 ZINC001266298524 769932451 /nfs/dbraw/zinc/93/24/51/769932451.db2.gz KCFLRABRSFGYAY-UHFFFAOYSA-N 0 3 297.402 2.781 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001266313362 769950900 /nfs/dbraw/zinc/95/09/00/769950900.db2.gz JYXOIOFGYTYQGF-DLBZAZTESA-N 0 3 286.419 2.587 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001266316900 769954618 /nfs/dbraw/zinc/95/46/18/769954618.db2.gz KAVLSPLBBKTQAQ-SFHVURJKSA-N 0 3 298.430 2.743 20 30 CFEDHN CCCCCCCN1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC001266324905 769966081 /nfs/dbraw/zinc/96/60/81/769966081.db2.gz GDLNZBFSQTVAFG-CYBMUJFWSA-N 0 3 295.452 2.918 20 30 CFEDHN CCCCCCCN1CC[C@@H](NC(=O)c2conc2C)C1 ZINC001266339521 769982888 /nfs/dbraw/zinc/98/28/88/769982888.db2.gz RWPPJXQMTFNOCA-CQSZACIVSA-N 0 3 293.411 2.758 20 30 CFEDHN C=C[C@@H](CC(=O)NCCN(C)CC(=C)C)c1ccccc1 ZINC001266362830 770026308 /nfs/dbraw/zinc/02/63/08/770026308.db2.gz WKXNTDWGZGEMBO-INIZCTEOSA-N 0 3 286.419 2.970 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001266365174 770032551 /nfs/dbraw/zinc/03/25/51/770032551.db2.gz QNTCEXDXBJHGNA-UHFFFAOYSA-N 0 3 298.430 2.732 20 30 CFEDHN C/C=C(/C)C(=O)NCCN(CCC)Cc1cccc(C#N)c1 ZINC001266558437 770331394 /nfs/dbraw/zinc/33/13/94/770331394.db2.gz MJDGRGKDRWSURV-WCSRMQSCSA-N 0 3 299.418 2.853 20 30 CFEDHN C=C/C(C)=C\CC(=O)N[C@]12CCC[C@H]1CN(CC#CC)C2 ZINC001111837342 770338087 /nfs/dbraw/zinc/33/80/87/770338087.db2.gz MTGAVJDJYNUVNI-GFNBKLKVSA-N 0 3 286.419 2.503 20 30 CFEDHN C=C(C)CN(CCNC(=O)c1ccc2[nH]ccc2c1)C1CC1 ZINC001266607300 770416621 /nfs/dbraw/zinc/41/66/21/770416621.db2.gz UVVFPSQTATYMNW-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN(CCNC(=O)[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC001266613908 770432771 /nfs/dbraw/zinc/43/27/71/770432771.db2.gz LAGOITIZJUEMEP-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)CC2CCCCC2)C1 ZINC001266740649 770570367 /nfs/dbraw/zinc/57/03/67/770570367.db2.gz WBBRSINQIOINSC-QGZVFWFLSA-N 0 3 290.451 2.808 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)CCCCCC)C1 ZINC001266766481 770592575 /nfs/dbraw/zinc/59/25/75/770592575.db2.gz GXZZFOQERKHPDP-MRXNPFEDSA-N 0 3 278.440 2.808 20 30 CFEDHN CCC(C)(C)C(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001266822255 770648328 /nfs/dbraw/zinc/64/83/28/770648328.db2.gz RKMKMIKLABXOBK-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001266893666 770719077 /nfs/dbraw/zinc/71/90/77/770719077.db2.gz RDPITSYCPBAGCE-NVXWUHKLSA-N 0 3 288.435 2.727 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCc1ncccc1C ZINC001266963560 770772869 /nfs/dbraw/zinc/77/28/69/770772869.db2.gz FWLKESHUODZHMD-CABCVRRESA-N 0 3 289.423 2.587 20 30 CFEDHN CC#CCNCCN(C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001266966633 770776334 /nfs/dbraw/zinc/77/63/34/770776334.db2.gz YJOLXNIXMLCGIR-NSHDSACASA-N 0 3 298.839 2.576 20 30 CFEDHN CC#CCN[C@H](C)CNC(=O)c1c2ccccc2oc1CC ZINC001266994331 770792306 /nfs/dbraw/zinc/79/23/06/770792306.db2.gz LIYNDSKPWMIDFA-CYBMUJFWSA-N 0 3 298.386 2.726 20 30 CFEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 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C=CCN(CC)CCNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001267254943 775107326 /nfs/dbraw/zinc/10/73/26/775107326.db2.gz LNJDYCAKHARRBY-HNNXBMFYSA-N 0 3 292.810 2.604 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001267258995 775114825 /nfs/dbraw/zinc/11/48/25/775114825.db2.gz LIWVZFIHJFTYCO-UHFFFAOYSA-N 0 3 289.354 2.545 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccccc1F ZINC001267278555 775144483 /nfs/dbraw/zinc/14/44/83/775144483.db2.gz MHNBAWAXJJTUPX-KGLIPLIRSA-N 0 3 290.382 2.696 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)c1cscc1C ZINC001038143883 775222283 /nfs/dbraw/zinc/22/22/83/775222283.db2.gz ITVLOIFWYUWTKA-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN C#CCCN[C@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1 ZINC001267356387 775243241 /nfs/dbraw/zinc/24/32/41/775243241.db2.gz DLBUMBNDGLXXEW-JKSUJKDBSA-N 0 3 284.403 2.503 20 30 CFEDHN CC#CCNCCN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC001267436488 775325148 /nfs/dbraw/zinc/32/51/48/775325148.db2.gz GPVOZSCAKRJSFR-INIZCTEOSA-N 0 3 286.419 2.642 20 30 CFEDHN C=C[C@]1(C)CC[C@H](OC[C@H]2COC(C)(C)N2)C(C)(C)O1 ZINC001217896204 775360290 /nfs/dbraw/zinc/36/02/90/775360290.db2.gz PMLJPNWTXPTMHX-HEHGZKQESA-N 0 3 283.412 2.630 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@@H]21 ZINC001042166079 775363966 /nfs/dbraw/zinc/36/39/66/775363966.db2.gz SULPUJFCPJKFFG-HOCLYGCPSA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892490605 775387327 /nfs/dbraw/zinc/38/73/27/775387327.db2.gz VKCFRDWCMXQUGP-GOEBONIOSA-N 0 3 296.370 2.508 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267495653 775392443 /nfs/dbraw/zinc/39/24/43/775392443.db2.gz FDOXNZMBWCDMAG-DOTOQJQBSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001075503859 775411822 /nfs/dbraw/zinc/41/18/22/775411822.db2.gz JECPBMDFLZKHFA-JKSUJKDBSA-N 0 3 276.424 2.676 20 30 CFEDHN C/C(=N\O)c1ccc(-n2nc(CN)c3ccccc32)cc1 ZINC001167700544 775533505 /nfs/dbraw/zinc/53/35/05/775533505.db2.gz JZKNDNAILXMRJU-YBFXNURJSA-N 0 3 280.331 2.682 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038322707 775534732 /nfs/dbraw/zinc/53/47/32/775534732.db2.gz NWAMLTKBIWXHHV-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025191470 775564006 /nfs/dbraw/zinc/56/40/06/775564006.db2.gz JHVYIFWKTYWQOY-CVEARBPZSA-N 0 3 276.424 2.655 20 30 CFEDHN C=CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001025199442 775566278 /nfs/dbraw/zinc/56/62/78/775566278.db2.gz WPCWBNDAAZORCB-HZPDHXFCSA-N 0 3 288.391 2.925 20 30 CFEDHN CC(C)C#CC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001267599503 775575391 /nfs/dbraw/zinc/57/53/91/775575391.db2.gz RDBMNZIMLSJZOL-WTKPLQERSA-N 0 3 296.842 2.569 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025288895 775588937 /nfs/dbraw/zinc/58/89/37/775588937.db2.gz MDFLNHMKZRCLJK-GJZGRUSLSA-N 0 3 276.424 2.511 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025329176 775606373 /nfs/dbraw/zinc/60/63/73/775606373.db2.gz NYNLSZPKLNPURO-FUHWJXTLSA-N 0 3 298.430 2.849 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025389615 775636554 /nfs/dbraw/zinc/63/65/54/775636554.db2.gz YBGHGAZIHXTHIQ-NVXWUHKLSA-N 0 3 288.435 2.727 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2C=CC=CC=C2)C1 ZINC001025430085 775656421 /nfs/dbraw/zinc/65/64/21/775656421.db2.gz ZLFLZPABCXFTLX-SJLPKXTDSA-N 0 3 298.430 2.525 20 30 CFEDHN Cc1cc(C)c(C#N)c(O[C@H]2CCCN(C(C)C)C2)n1 ZINC001226088456 775694915 /nfs/dbraw/zinc/69/49/15/775694915.db2.gz PMQPKPNTYYQNEE-AWEZNQCLSA-N 0 3 273.380 2.822 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000328219384 775734479 /nfs/dbraw/zinc/73/44/79/775734479.db2.gz ZHZSCWMGERUWJD-IXDOHACOSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(Br)CN[C@H]1CCOC12CCCC2 ZINC000725461835 775806124 /nfs/dbraw/zinc/80/61/24/775806124.db2.gz PZWAJGSXDCKMQU-JTQLQIEISA-N 0 3 260.175 2.586 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](C)CC ZINC001267713077 775801376 /nfs/dbraw/zinc/80/13/76/775801376.db2.gz YLBNSCWEYAJQSF-KKUMJFAQSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(=C)CC1 ZINC001267712668 775801485 /nfs/dbraw/zinc/80/14/85/775801485.db2.gz VEYQDYFMDVETLC-IRXDYDNUSA-N 0 3 288.435 2.984 20 30 CFEDHN CCN1CC[C@@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226546947 775868889 /nfs/dbraw/zinc/86/88/89/775868889.db2.gz PPPHLQFVLUAWHG-CYBMUJFWSA-N 0 3 273.380 2.724 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(C(F)F)CCC2)C1 ZINC001267769873 775905522 /nfs/dbraw/zinc/90/55/22/775905522.db2.gz DLPJKEYXFZSLTD-GFCCVEGCSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C[C@]1(C)CC[C@@H](Oc2ccnc(N)c2)C(C)(C)O1 ZINC001226654547 775905877 /nfs/dbraw/zinc/90/58/77/775905877.db2.gz ZRRCYDOKKUANMW-IUODEOHRSA-N 0 3 262.353 2.945 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001267774963 775914493 /nfs/dbraw/zinc/91/44/93/775914493.db2.gz MIULXYQNQKWQOR-MRXNPFEDSA-N 0 3 278.440 2.759 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267776227 775918031 /nfs/dbraw/zinc/91/80/31/775918031.db2.gz HSGLTLBGCRVEOQ-GJZGRUSLSA-N 0 3 266.429 2.777 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H](C)CCCC)C1 ZINC001267786208 775929870 /nfs/dbraw/zinc/92/98/70/775929870.db2.gz ZMMSVROTXUZHQP-CVEARBPZSA-N 0 3 278.440 2.759 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267794889 775936549 /nfs/dbraw/zinc/93/65/49/775936549.db2.gz RNHDFTDBIJNEBE-ZFWWWQNUSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(OCc2ccccc2)CC1 ZINC000310010239 775951937 /nfs/dbraw/zinc/95/19/37/775951937.db2.gz YRGNTRPPHPUZRF-OAHLLOKOSA-N 0 3 288.391 2.596 20 30 CFEDHN CC#CCNC1(CNC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC001277164879 776010337 /nfs/dbraw/zinc/01/03/37/776010337.db2.gz POMAVBUJWVITOX-UHFFFAOYSA-N 0 3 290.794 2.524 20 30 CFEDHN C=CCCCCCCCCN1CC[C@@H]2C[C@@]21C(N)=O ZINC001277169441 776036984 /nfs/dbraw/zinc/03/69/84/776036984.db2.gz CACSVZDFDRYCTA-ZBFHGGJFSA-N 0 3 264.413 2.853 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1ccc(S(C)(=O)=O)cc1 ZINC000695859596 776066002 /nfs/dbraw/zinc/06/60/02/776066002.db2.gz OHWAMTYNOGSITH-GFCCVEGCSA-N 0 3 294.420 2.508 20 30 CFEDHN CC(C)CC(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026650107 776116531 /nfs/dbraw/zinc/11/65/31/776116531.db2.gz FZQJTBPSWQUJLG-OAHLLOKOSA-N 0 3 299.418 2.542 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1CNC[C@H](F)CC ZINC001267960738 776123310 /nfs/dbraw/zinc/12/33/10/776123310.db2.gz MZUMNAJWFAOUGD-ZIAGYGMSSA-N 0 3 284.419 2.917 20 30 CFEDHN CC[C@H](C)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001026695053 776129040 /nfs/dbraw/zinc/12/90/40/776129040.db2.gz KMXHQZXWKKXLKX-LSDHHAIUSA-N 0 3 299.418 2.542 20 30 CFEDHN CC(C)C(=O)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC001027305196 776289018 /nfs/dbraw/zinc/28/90/18/776289018.db2.gz JPLWSRJLGOREFV-KRWDZBQOSA-N 0 3 299.418 2.637 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001027331944 776294584 /nfs/dbraw/zinc/29/45/84/776294584.db2.gz LRWIMBFUCIOOHN-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001027397324 776314858 /nfs/dbraw/zinc/31/48/58/776314858.db2.gz XESPIJIJBPSPDQ-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCCCN1CCC ZINC001167782419 776338603 /nfs/dbraw/zinc/33/86/03/776338603.db2.gz OWXMPRNYCFGWCF-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001027509499 776340651 /nfs/dbraw/zinc/34/06/51/776340651.db2.gz CHVUZMKNBYOZGO-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001027630379 776388795 /nfs/dbraw/zinc/38/87/95/776388795.db2.gz YUKPPIIVZPARDJ-OAHLLOKOSA-N 0 3 278.440 2.759 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(CC)CCCC2)C1 ZINC001027634697 776390050 /nfs/dbraw/zinc/39/00/50/776390050.db2.gz BOUVYTVJRBKLGV-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001228130209 776403495 /nfs/dbraw/zinc/40/34/95/776403495.db2.gz NFHGLVNDIHGEMB-BFHYXJOUSA-N 0 3 270.392 2.575 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001027696934 776413945 /nfs/dbraw/zinc/41/39/45/776413945.db2.gz OZQDDDSJQNRXBZ-GOSISDBHSA-N 0 3 296.414 2.734 20 30 CFEDHN Cc1ccnc(O[C@@H]2CCCN(C(C)C)C2)c1C#N ZINC001228305118 776452982 /nfs/dbraw/zinc/45/29/82/776452982.db2.gz LZPPUAHXRCPSGE-CYBMUJFWSA-N 0 3 259.353 2.513 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)/C=C\C(C)(C)C)CC2 ZINC001268044009 776454472 /nfs/dbraw/zinc/45/44/72/776454472.db2.gz RBQYZBBJJOZPKX-FPLPWBNLSA-N 0 3 288.435 2.536 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001027807100 776458050 /nfs/dbraw/zinc/45/80/50/776458050.db2.gz OGPPICCEOYBBRL-CAOSSQGBSA-N 0 3 276.424 2.579 20 30 CFEDHN CCN(CC)C[C@@H](C)Oc1cccc2c1C(=O)C=CC2=O ZINC001228469332 776499973 /nfs/dbraw/zinc/49/99/73/776499973.db2.gz BDIRCLXVFMGLJW-GFCCVEGCSA-N 0 3 287.359 2.731 20 30 CFEDHN CCCc1cc(C)nc(OC2CCN(C)CC2)c1C#N ZINC001228603154 776537546 /nfs/dbraw/zinc/53/75/46/776537546.db2.gz WMURJYZYMPXTFQ-UHFFFAOYSA-N 0 3 273.380 2.687 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)n(CC)c1C ZINC001028005250 776548837 /nfs/dbraw/zinc/54/88/37/776548837.db2.gz OPFOGXUPNIMVBJ-HNNXBMFYSA-N 0 3 289.423 2.505 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001028004571 776550732 /nfs/dbraw/zinc/55/07/32/776550732.db2.gz GIASQMOGFGSNMF-CYBMUJFWSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001028020606 776559226 /nfs/dbraw/zinc/55/92/26/776559226.db2.gz XHZJZVSJYUQTKZ-HNNXBMFYSA-N 0 3 297.402 2.710 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001028020607 776559725 /nfs/dbraw/zinc/55/97/25/776559725.db2.gz XHZJZVSJYUQTKZ-OAHLLOKOSA-N 0 3 297.402 2.710 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043100 776568561 /nfs/dbraw/zinc/56/85/61/776568561.db2.gz GIEABMMBASALSD-YYIAUSFCSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028053674 776573954 /nfs/dbraw/zinc/57/39/54/776573954.db2.gz HVVXIXFENCTSNF-HNNXBMFYSA-N 0 3 297.402 2.857 20 30 CFEDHN N#Cc1c[nH]c2cc(NCCN3CCSCC3)ccc12 ZINC001167836709 776585304 /nfs/dbraw/zinc/58/53/04/776585304.db2.gz DLSBLDRITVRRGN-UHFFFAOYSA-N 0 3 286.404 2.500 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1occc1C(C)C ZINC001028096271 776615883 /nfs/dbraw/zinc/61/58/83/776615883.db2.gz XJIBURNRFSXIBI-AWEZNQCLSA-N 0 3 288.391 2.621 20 30 CFEDHN N#C[C@H]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC1 ZINC001167845810 776626516 /nfs/dbraw/zinc/62/65/16/776626516.db2.gz YJSSHSUOPKPJMY-MJHDQNEOSA-N 0 3 286.335 2.692 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028154929 776666397 /nfs/dbraw/zinc/66/63/97/776666397.db2.gz UDDBNGZYSPNWHJ-INIZCTEOSA-N 0 3 270.376 2.710 20 30 CFEDHN CCCOCCNc1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001167875774 776706747 /nfs/dbraw/zinc/70/67/47/776706747.db2.gz RGDXBPTXWKCKFI-LDADJPATSA-N 0 3 274.368 2.618 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@@H]1CC(C)C ZINC001229291561 776772652 /nfs/dbraw/zinc/77/26/52/776772652.db2.gz GUKGYOHHFCYTEM-MRXNPFEDSA-N 0 3 293.455 2.552 20 30 CFEDHN C=CC(C=C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC001229303545 776773863 /nfs/dbraw/zinc/77/38/63/776773863.db2.gz UTLZZCASKJJXEX-UHFFFAOYSA-N 0 3 259.349 2.940 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1(C(C)(F)F)CC1 ZINC001268406028 776788887 /nfs/dbraw/zinc/78/88/87/776788887.db2.gz VHGYZOVGSSRUNM-SNVBAGLBSA-N 0 3 294.773 2.659 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC001268415515 776796708 /nfs/dbraw/zinc/79/67/08/776796708.db2.gz DKMJIEBFDJLBSU-LBPRGKRZSA-N 0 3 296.798 2.546 20 30 CFEDHN CCC#CCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000893840731 776823005 /nfs/dbraw/zinc/82/30/05/776823005.db2.gz VKSGWEKGRMKQST-UHFFFAOYSA-N 0 3 285.387 2.855 20 30 CFEDHN C=CCN(C)CCN(CC)C(=O)c1cc(F)ccc1C ZINC001139865618 776827266 /nfs/dbraw/zinc/82/72/66/776827266.db2.gz NALWRYPXYWHMLT-UHFFFAOYSA-N 0 3 278.371 2.714 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028335258 776860373 /nfs/dbraw/zinc/86/03/73/776860373.db2.gz QXVUFPJSXSGJDR-SJJHQCBESA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028340745 776863912 /nfs/dbraw/zinc/86/39/12/776863912.db2.gz WTAWUFALWDSOKD-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)[C@@H](CC)CCC)CC1 ZINC001229785720 776891727 /nfs/dbraw/zinc/89/17/27/776891727.db2.gz OPWUQQSHSXGEDF-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C#CCNCCN(CC)C(=O)C[C@@H](CC)c1ccccc1 ZINC001268491581 776892812 /nfs/dbraw/zinc/89/28/12/776892812.db2.gz QLQYKOBDTGIGTO-MRXNPFEDSA-N 0 3 286.419 2.642 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 ZINC001211758909 776894439 /nfs/dbraw/zinc/89/44/39/776894439.db2.gz BMGFNVRUNZUMSA-HZPDHXFCSA-N 0 3 296.455 2.572 20 30 CFEDHN CC#CCNC/C=C/CNC(=O)C(C)(C)C1CCCCC1 ZINC001268598963 776994753 /nfs/dbraw/zinc/99/47/53/776994753.db2.gz GDHUSJGECUVOIP-MDZDMXLPSA-N 0 3 290.451 2.878 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230603205 777023187 /nfs/dbraw/zinc/02/31/87/777023187.db2.gz JDQOASOKJGWGPU-NEPJUHHUSA-N 0 3 274.355 2.529 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)C[C@H]1CCCCO1 ZINC001268739947 777039771 /nfs/dbraw/zinc/03/97/71/777039771.db2.gz GSSFMBIFKCMDCF-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN(C)C[C@@H]1CCCCO1 ZINC001268739943 777040700 /nfs/dbraw/zinc/04/07/00/777040700.db2.gz GSSFMBIFKCMDCF-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN(C)C[C@H]1CCCCO1 ZINC001268748489 777041827 /nfs/dbraw/zinc/04/18/27/777041827.db2.gz GOKJWHNFNYCTRI-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1csc2c1CCCC2 ZINC001268756282 777046541 /nfs/dbraw/zinc/04/65/41/777046541.db2.gz IZDYUSPMSIBTKI-GFCCVEGCSA-N 0 3 292.448 2.863 20 30 CFEDHN CC#CCN1CCC[C@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001277465149 777054727 /nfs/dbraw/zinc/05/47/27/777054727.db2.gz MNZTXDZPECKCCX-ZUTYSQTGSA-N 0 3 288.435 2.681 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)/C=C(\C)CC ZINC001268792462 777055512 /nfs/dbraw/zinc/05/55/12/777055512.db2.gz UTENFDLPOOWMKK-PKNBQFBNSA-N 0 3 258.793 2.533 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)c1ccsc1C ZINC001268791701 777056365 /nfs/dbraw/zinc/05/63/65/777056365.db2.gz REVLUYSJBKZHGC-UHFFFAOYSA-N 0 3 286.828 2.861 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230834961 777073001 /nfs/dbraw/zinc/07/30/01/777073001.db2.gz QIEPPCAAQYOLMP-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CC)n1 ZINC001268947324 777078779 /nfs/dbraw/zinc/07/87/79/777078779.db2.gz LCIMAQVBBGBGDB-HOTGVXAUSA-N 0 3 299.418 2.509 20 30 CFEDHN C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC=C ZINC001268960491 777079393 /nfs/dbraw/zinc/07/93/93/777079393.db2.gz RYRIZYQZVWNDLC-IRXDYDNUSA-N 0 3 288.435 2.821 20 30 CFEDHN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)C1(CF)CCC1 ZINC001268969671 777080568 /nfs/dbraw/zinc/08/05/68/777080568.db2.gz GNDVBWPQKNNOBX-KKUMJFAQSA-N 0 3 294.414 2.766 20 30 CFEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C ZINC001268984015 777082732 /nfs/dbraw/zinc/08/27/32/777082732.db2.gz OQAUZHPXAAEGFM-ILXRZTDVSA-N 0 3 287.407 2.577 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)COCCC ZINC001231078544 777134141 /nfs/dbraw/zinc/13/41/41/777134141.db2.gz ASWIZAJNNCRHPW-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1ccoc1C ZINC001269194799 777136135 /nfs/dbraw/zinc/13/61/35/777136135.db2.gz JVQAZMZRHPEJFK-GXTWGEPZSA-N 0 3 276.380 2.747 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CC1CCCC1 ZINC001269195918 777137545 /nfs/dbraw/zinc/13/75/45/777137545.db2.gz QCNPJFDTQWZWJZ-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231139206 777154646 /nfs/dbraw/zinc/15/46/46/777154646.db2.gz MXTCXISNYRDXED-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001269291327 777161569 /nfs/dbraw/zinc/16/15/69/777161569.db2.gz IQSVABJJZWJIBW-JSGCOSHPSA-N 0 3 278.421 2.618 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)C=C(CC)CC)C1 ZINC001269319315 777169384 /nfs/dbraw/zinc/16/93/84/777169384.db2.gz WCKXPZNZEKYWNR-OAHLLOKOSA-N 0 3 264.413 2.842 20 30 CFEDHN C=C[C@H](C(=O)NC[C@H]1CCN1CCC)c1ccccc1 ZINC001269351791 777175780 /nfs/dbraw/zinc/17/57/80/777175780.db2.gz REJIKHGONSGSTC-CVEARBPZSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001269348319 777175907 /nfs/dbraw/zinc/17/59/07/777175907.db2.gz JPTTYWALYFRTPN-CABCVRRESA-N 0 3 290.407 2.882 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C=C)CC)C1 ZINC001269345043 777176194 /nfs/dbraw/zinc/17/61/94/777176194.db2.gz IUIOCBJIOTWKAF-GJZGRUSLSA-N 0 3 264.413 2.698 20 30 CFEDHN C[C@@H](C#N)C(=O)N(C)C[C@H]1CCN1CCCC1CCCC1 ZINC001231282417 777182196 /nfs/dbraw/zinc/18/21/96/777182196.db2.gz LBSWCNWUGFOVHY-GOEBONIOSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC1(NC[C@H](F)CC)CC1 ZINC001269497128 777199787 /nfs/dbraw/zinc/19/97/87/777199787.db2.gz JIQVSADRIVHAOO-GFCCVEGCSA-N 0 3 270.392 2.575 20 30 CFEDHN CC#CCNC1(CNC(=O)c2cc(Cl)ccc2C)CC1 ZINC001269508317 777200856 /nfs/dbraw/zinc/20/08/56/777200856.db2.gz JKKKIRIKFOODGF-UHFFFAOYSA-N 0 3 290.794 2.524 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001231406197 777210499 /nfs/dbraw/zinc/21/04/99/777210499.db2.gz YKONGQVYJLQESS-MWDXBVQZSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1CCN(Cc2cc(C)c(C)cc2C)CC1 ZINC001231484424 777234202 /nfs/dbraw/zinc/23/42/02/777234202.db2.gz NEIFYLYYQYJELO-UHFFFAOYSA-N 0 3 258.409 2.915 20 30 CFEDHN C=C1CCC(C(=O)NC[C@@H]2CCN(C[C@H](F)CC)C2)CC1 ZINC001028781252 777244151 /nfs/dbraw/zinc/24/41/51/777244151.db2.gz SOMNRUPDVXFDRE-GOEBONIOSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCN(C)Cc1ccc(OC(=O)C(C)C)c(OC)c1 ZINC001231531486 777253488 /nfs/dbraw/zinc/25/34/88/777253488.db2.gz RHSAZMZJUIMBJO-UHFFFAOYSA-N 0 3 277.364 2.874 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC(C)(C)C[C@@]1(C)CO ZINC001231616891 777280193 /nfs/dbraw/zinc/28/01/93/777280193.db2.gz MYMLBRYDNVGBAW-KRWDZBQOSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](O)C[C@H]2C)c1 ZINC001231625593 777283812 /nfs/dbraw/zinc/28/38/12/777283812.db2.gz WODODZLPZXPTCY-UKRRQHHQSA-N 0 3 261.365 2.597 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3cnccn3)C2)c1 ZINC001231663107 777299400 /nfs/dbraw/zinc/29/94/00/777299400.db2.gz JFHQSBSAHMWZDZ-QGZVFWFLSA-N 0 3 293.370 2.501 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)cc1 ZINC001270081555 777303832 /nfs/dbraw/zinc/30/38/32/777303832.db2.gz DZKFQLZKJBLFDY-MJGOQNOKSA-N 0 3 298.430 2.708 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@@](C)(C=C)CC)cc1 ZINC001270075188 777304206 /nfs/dbraw/zinc/30/42/06/777304206.db2.gz BZGKYARLWGGKMT-SFHVURJKSA-N 0 3 284.403 2.628 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc3sccc3c2)C1 ZINC001028902436 777312087 /nfs/dbraw/zinc/31/20/87/777312087.db2.gz VRCRLPWWSSBBBZ-CYBMUJFWSA-N 0 3 298.411 2.586 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001270231959 777336505 /nfs/dbraw/zinc/33/65/05/777336505.db2.gz OOEXAQLTHVXSQI-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC001028962049 777346118 /nfs/dbraw/zinc/34/61/18/777346118.db2.gz MRERPFGYKRJBIM-HNNXBMFYSA-N 0 3 292.382 2.525 20 30 CFEDHN C#CCN(C(=O)/C=C(\C)CC)C1CCN(CC(=C)C)CC1 ZINC001270308733 777354354 /nfs/dbraw/zinc/35/43/54/777354354.db2.gz XZCNYUFWOPSNSH-DTQAZKPQSA-N 0 3 288.435 2.845 20 30 CFEDHN C=CCCC(=O)NC[C@@H](C)CNCc1c(F)cccc1F ZINC001270371537 777364288 /nfs/dbraw/zinc/36/42/88/777364288.db2.gz IKLDHBCRVKBWJC-LBPRGKRZSA-N 0 3 296.361 2.773 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001029020028 777388113 /nfs/dbraw/zinc/38/81/13/777388113.db2.gz NBDHACUODYTOTO-AWEZNQCLSA-N 0 3 296.370 2.508 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001270589506 777417178 /nfs/dbraw/zinc/41/71/78/777417178.db2.gz HFSVNZUZMSBBFA-SFHVURJKSA-N 0 3 298.430 2.875 20 30 CFEDHN N#CCC1CCN(Cc2cc3ncccc3[nH]2)CC1 ZINC001232069663 777430189 /nfs/dbraw/zinc/43/01/89/777430189.db2.gz KTUFHRFKJJBHNL-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN C=CCCC(=O)NCC1(NCc2ccccn2)CCCC1 ZINC001270721333 777466282 /nfs/dbraw/zinc/46/62/82/777466282.db2.gz WRLPLGOZKFOCPH-UHFFFAOYSA-N 0 3 287.407 2.566 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1CC ZINC001087486794 777497359 /nfs/dbraw/zinc/49/73/59/777497359.db2.gz YQOPBOYNMKPJMS-LSDHHAIUSA-N 0 3 276.355 2.594 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2F)[C@H]1CC ZINC001087487479 777498211 /nfs/dbraw/zinc/49/82/11/777498211.db2.gz GYTUTBIYTUWVEU-JKSUJKDBSA-N 0 3 290.382 2.985 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1CC ZINC001087499759 777519072 /nfs/dbraw/zinc/51/90/72/777519072.db2.gz JGZKBHHOZLYONR-LSDHHAIUSA-N 0 3 276.380 2.665 20 30 CFEDHN N#Cc1cc(C#N)cc(N(C(=N)N)c2ccc(F)cc2)c1 ZINC001167991061 777520747 /nfs/dbraw/zinc/52/07/47/777520747.db2.gz DMDLKGOCOBZKKR-UHFFFAOYSA-N 0 3 279.278 2.601 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1CC ZINC001087503864 777544416 /nfs/dbraw/zinc/54/44/16/777544416.db2.gz BXSVNWYVLFUCKX-NWDGAFQWSA-N 0 3 294.782 2.539 20 30 CFEDHN Cc1cccc(CCN(C)Cc2cc(C#N)ccn2)c1 ZINC001232479675 777575077 /nfs/dbraw/zinc/57/50/77/777575077.db2.gz VHOGHMDDPHSOMO-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN C=CCN(Cc1ccnc(C(=O)OC)c1)C(C)(C)C ZINC001232774660 777661623 /nfs/dbraw/zinc/66/16/23/777661623.db2.gz JJFMRQLSXRWOHG-UHFFFAOYSA-N 0 3 262.353 2.655 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)co2)[C@H]1CC ZINC001087694117 777680997 /nfs/dbraw/zinc/68/09/97/777680997.db2.gz LAYSYOZTFQZSJM-UONOGXRCSA-N 0 3 276.380 2.747 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1CC ZINC001087706353 777683513 /nfs/dbraw/zinc/68/35/13/777683513.db2.gz NYCFAHFZYLALGY-JKSUJKDBSA-N 0 3 290.382 2.903 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717026 777685014 /nfs/dbraw/zinc/68/50/14/777685014.db2.gz OAATTZTXBVBTQZ-SOUVJXGZSA-N 0 3 278.440 2.968 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3ccc(O)cc23)C1 ZINC001232866122 777698500 /nfs/dbraw/zinc/69/85/00/777698500.db2.gz QLPIUEVGTPXUQU-GFCCVEGCSA-N 0 3 269.348 2.999 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001232924605 777721772 /nfs/dbraw/zinc/72/17/72/777721772.db2.gz NLGDDVAIQVIQBS-KGLIPLIRSA-N 0 3 255.365 2.965 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](C)CC)[C@H](OC)C1 ZINC001211882251 777724022 /nfs/dbraw/zinc/72/40/22/777724022.db2.gz BLNPNKHRPXBNCQ-BZUAXINKSA-N 0 3 298.471 2.818 20 30 CFEDHN Cc1ccc(CN2CCC[C@](C)(CO)CC2)c(C#N)c1 ZINC001232961728 777739119 /nfs/dbraw/zinc/73/91/19/777739119.db2.gz DRMCLLCJMURRBV-KRWDZBQOSA-N 0 3 272.392 2.851 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC ZINC001029456413 777743998 /nfs/dbraw/zinc/74/39/98/777743998.db2.gz ANOCQVBXESDHSC-IJEWVQPXSA-N 0 3 264.413 2.674 20 30 CFEDHN COC(=O)C1(C)CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233082527 777790936 /nfs/dbraw/zinc/79/09/36/777790936.db2.gz FGDXTMGVHTXWAL-UHFFFAOYSA-N 0 3 286.375 2.642 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@]2(CCCC(=O)N2)C1 ZINC001233081431 777791705 /nfs/dbraw/zinc/79/17/05/777791705.db2.gz FALKRBSCGFPJLT-GOSISDBHSA-N 0 3 297.402 2.501 20 30 CFEDHN N#C[C@H]1CCCN(Cc2cccc3c2CCO3)CC1 ZINC001233277099 777858152 /nfs/dbraw/zinc/85/81/52/777858152.db2.gz NSSRLCBHYRDVQI-ZDUSSCGKSA-N 0 3 256.349 2.747 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2cccc3c2CCO3)C1 ZINC001233276902 777858437 /nfs/dbraw/zinc/85/84/37/777858437.db2.gz FPJQQRYHYXGTNO-CYBMUJFWSA-N 0 3 256.349 2.747 20 30 CFEDHN COc1cc(Cl)cc(CN2CCC(S)CC2)c1O ZINC001233290171 777868521 /nfs/dbraw/zinc/86/85/21/777868521.db2.gz NAIDKZASIBFZPS-UHFFFAOYSA-N 0 3 287.812 2.948 20 30 CFEDHN COc1cc(Cl)cc(C[NH+]2CCC(S)CC2)c1[O-] ZINC001233290171 777868531 /nfs/dbraw/zinc/86/85/31/777868531.db2.gz NAIDKZASIBFZPS-UHFFFAOYSA-N 0 3 287.812 2.948 20 30 CFEDHN N#Cc1ccc(C2CCN(Cc3cccc(N)n3)CC2)cc1 ZINC001233372576 777916706 /nfs/dbraw/zinc/91/67/06/777916706.db2.gz VLDDQVBYDDURJU-UHFFFAOYSA-N 0 3 292.386 2.915 20 30 CFEDHN C#CCNCCN(Cc1ccccc1)C(=O)/C=C(\C)C1CC1 ZINC001271797800 777976380 /nfs/dbraw/zinc/97/63/80/777976380.db2.gz RXEKBWBUTKCYNE-JQIJEIRASA-N 0 3 296.414 2.594 20 30 CFEDHN C#CCNCCN(Cc1ccccc1)C(=O)C(CC)CC ZINC001271796643 777976644 /nfs/dbraw/zinc/97/66/44/777976644.db2.gz GKWQAZJNHKVUAD-UHFFFAOYSA-N 0 3 286.419 2.674 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001233530491 777979382 /nfs/dbraw/zinc/97/93/82/777979382.db2.gz UJUUNYVGJOCGJW-ZDUSSCGKSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233529494 777980017 /nfs/dbraw/zinc/98/00/17/777980017.db2.gz MOUAXIQBHDJWNE-ZFWWWQNUSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088359720 778033010 /nfs/dbraw/zinc/03/30/10/778033010.db2.gz FKEWJOWISFMJDS-ZDUSSCGKSA-N 0 3 270.392 2.529 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088374411 778036627 /nfs/dbraw/zinc/03/66/27/778036627.db2.gz GQYQSKOZCKYPAK-HOCLYGCPSA-N 0 3 284.419 2.919 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1csnc1C ZINC001233705524 778049644 /nfs/dbraw/zinc/04/96/44/778049644.db2.gz CZNBVUWYICRCTH-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC001088459299 778128884 /nfs/dbraw/zinc/12/88/84/778128884.db2.gz KQGFABSHBBLYES-YPMHNXCESA-N 0 3 264.394 2.517 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC001088464203 778134720 /nfs/dbraw/zinc/13/47/20/778134720.db2.gz KOZYNTNLRPNGCG-DOMZBBRYSA-N 0 3 276.380 2.665 20 30 CFEDHN CC(C)C#CC(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001234162906 778179078 /nfs/dbraw/zinc/17/90/78/778179078.db2.gz WNUPWRDBTYIXDM-QGZVFWFLSA-N 0 3 290.451 2.759 20 30 CFEDHN CN(C[C@H]1CCN1CCCC(C)(C)C)C(=O)C#CC1CC1 ZINC001234178734 778181591 /nfs/dbraw/zinc/18/15/91/778181591.db2.gz OEOPZIBDUGBCTP-MRXNPFEDSA-N 0 3 290.451 2.759 20 30 CFEDHN CCN1CC[C@@H](Oc2ccc(/C=C\C(C)=O)cc2OC)C1 ZINC001234334290 778210415 /nfs/dbraw/zinc/21/04/15/778210415.db2.gz GDDRGKIUCNMKMI-IYKSTZQJSA-N 0 3 289.375 2.770 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC001088556875 778242657 /nfs/dbraw/zinc/24/26/57/778242657.db2.gz OHPDAGGYBHKEIZ-OLZOCXBDSA-N 0 3 278.421 2.825 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1C[C@@H](CC)OC ZINC001234554071 778250655 /nfs/dbraw/zinc/25/06/55/778250655.db2.gz DFXWKYDTPAHFCL-LSDHHAIUSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCc1cc(OC)c(OC)cc1O[C@@H]1CCCN(C)C1 ZINC001234551448 778250771 /nfs/dbraw/zinc/25/07/71/778250771.db2.gz GDHNHYQAORBIAI-CQSZACIVSA-N 0 3 291.391 2.905 20 30 CFEDHN CCN1CCN(c2ccc(O[C@H](C)CS)cc2)CC1 ZINC001234662354 778282319 /nfs/dbraw/zinc/28/23/19/778282319.db2.gz ZLUABYGQSMOPMS-CYBMUJFWSA-N 0 3 280.437 2.526 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H]1C ZINC001088582655 778302551 /nfs/dbraw/zinc/30/25/51/778302551.db2.gz AZMQYXVVUFALFJ-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088589015 778307656 /nfs/dbraw/zinc/30/76/56/778307656.db2.gz KCFIFPBXIRAVCR-HLLBOEOZSA-N 0 3 276.424 2.888 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001272132117 778360600 /nfs/dbraw/zinc/36/06/00/778360600.db2.gz VNWOAQKUCADSMK-CABCVRRESA-N 0 3 280.456 2.718 20 30 CFEDHN N#CCCCN1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001277943574 778483765 /nfs/dbraw/zinc/48/37/65/778483765.db2.gz ZFMDWTHRELOMEI-BETUJISGSA-N 0 3 289.345 2.781 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CC=C(C)C)[C@@H]2C)cc1 ZINC001088787097 778491545 /nfs/dbraw/zinc/49/15/45/778491545.db2.gz QKIDLCYVCSMURZ-QAPCUYQASA-N 0 3 296.414 2.827 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1C ZINC001088831929 778559037 /nfs/dbraw/zinc/55/90/37/778559037.db2.gz LNKCTQVDNNWIQG-WBVHZDCISA-N 0 3 286.419 2.693 20 30 CFEDHN N#Cc1ccc(CN2CCN[C@@H](c3ccccc3)C2)c(F)c1 ZINC001235855047 778581336 /nfs/dbraw/zinc/58/13/36/778581336.db2.gz RJDZOKPKTBUEJL-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001076433353 778589964 /nfs/dbraw/zinc/58/99/64/778589964.db2.gz YAIXTHUDDNYMPU-HRCADAONSA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001076524045 778593711 /nfs/dbraw/zinc/59/37/11/778593711.db2.gz WKLOPUHYHWZECN-DOTOQJQBSA-N 0 3 284.403 2.636 20 30 CFEDHN N[C@@H]1CN(Cc2ccc(C#Cc3ccccc3)cc2)C[C@@H]1F ZINC001235893307 778593719 /nfs/dbraw/zinc/59/37/19/778593719.db2.gz MBKARUOPLRSHJJ-RBUKOAKNSA-N 0 3 294.373 2.567 20 30 CFEDHN C=CCN1CCC[C@]2(CCN(C(=O)c3cccnc3C)C2)C1 ZINC001040359757 778594369 /nfs/dbraw/zinc/59/43/69/778594369.db2.gz HNTYYVFRSLCKMN-SFHVURJKSA-N 0 3 299.418 2.504 20 30 CFEDHN N#Cc1ccc(-c2ccc3c(c2)COC32CNC2)c(F)c1 ZINC001236532731 778867718 /nfs/dbraw/zinc/86/77/18/778867718.db2.gz DBRUDQPBMOMTRN-UHFFFAOYSA-N 0 3 280.302 2.693 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1C ZINC001088913245 778945983 /nfs/dbraw/zinc/94/59/83/778945983.db2.gz MUPCZNOFFQDXLZ-SPUZQDLCSA-N 0 3 298.430 2.864 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc32)[C@H]1C ZINC001088931233 778952316 /nfs/dbraw/zinc/95/23/16/778952316.db2.gz RLUKZXFMQFKBAP-KYJSFNMBSA-N 0 3 298.430 2.872 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)c1ccc(C)c2c1CCC2 ZINC001278024922 778977846 /nfs/dbraw/zinc/97/78/46/778977846.db2.gz JTGXLCJGWZUDNX-OAHLLOKOSA-N 0 3 298.430 2.557 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2sc(C)nc2C)[C@H]1C ZINC001089028479 778978324 /nfs/dbraw/zinc/97/83/24/778978324.db2.gz XZEIOJJZGPYISF-YPMHNXCESA-N 0 3 293.436 2.529 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC001089029886 778978387 /nfs/dbraw/zinc/97/83/87/778978387.db2.gz YQIIUPDOTMHART-KDOFPFPSSA-N 0 3 298.430 2.944 20 30 CFEDHN COC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)s1 ZINC001232846143 778982823 /nfs/dbraw/zinc/98/28/23/778982823.db2.gz AMNVKRQWCGKYNS-FOSCPWQOSA-N 0 3 262.378 2.762 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089069251 778986857 /nfs/dbraw/zinc/98/68/57/778986857.db2.gz UUCQLZCMZHOGER-URGYJCLVSA-N 0 3 278.440 2.824 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)[C@H]1C ZINC001089066092 778987337 /nfs/dbraw/zinc/98/73/37/778987337.db2.gz PYEQRFHIMUQEJG-KDOFPFPSSA-N 0 3 298.430 2.862 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@@H]12 ZINC000992237892 779055358 /nfs/dbraw/zinc/05/53/58/779055358.db2.gz BGFSEAQCPXRSIT-YFHUEUNASA-N 0 3 290.451 2.968 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001278071679 779058505 /nfs/dbraw/zinc/05/85/05/779058505.db2.gz OAGHCKUIGUFALS-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN1CCN(Cc2c(C)cccc2CC)CC1 ZINC001237326778 779077821 /nfs/dbraw/zinc/07/78/21/779077821.db2.gz JKCCRCFSWGCWBL-UHFFFAOYSA-N 0 3 258.409 2.861 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001099153154 779091971 /nfs/dbraw/zinc/09/19/71/779091971.db2.gz GTNPHBURJUMQNL-AWEZNQCLSA-N 0 3 296.430 2.919 20 30 CFEDHN CC[C@H](C)CN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272423499 779092369 /nfs/dbraw/zinc/09/23/69/779092369.db2.gz VPSZDMQGAKWKMI-DOTOQJQBSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)CCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272448249 779101982 /nfs/dbraw/zinc/10/19/82/779101982.db2.gz HCLZLHVHQQVGOB-KRWDZBQOSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(=O)Nc1ccccc1CN1CCC(S)CC1 ZINC001237412020 779102098 /nfs/dbraw/zinc/10/20/98/779102098.db2.gz FWZKDWXMHYSOED-UHFFFAOYSA-N 0 3 264.394 2.539 20 30 CFEDHN C=CCCCCN(C)Cc1ccc(C(=O)OC)nc1 ZINC001237455104 779111828 /nfs/dbraw/zinc/11/18/28/779111828.db2.gz SCYKZMSVYUCOTM-UHFFFAOYSA-N 0 3 262.353 2.656 20 30 CFEDHN C[C@H]1CN(Cc2cn(C)c3ccc(C#N)cc23)CCCO1 ZINC001237464082 779114102 /nfs/dbraw/zinc/11/41/02/779114102.db2.gz CCHWUDHPJOPYFB-ZDUSSCGKSA-N 0 3 283.375 2.661 20 30 CFEDHN CN(CC/C=C/c1cccnc1)Cc1ccnc(C#N)c1 ZINC001237468450 779115173 /nfs/dbraw/zinc/11/51/73/779115173.db2.gz GXRFPLJTVXBIRR-GORDUTHDSA-N 0 3 278.359 2.884 20 30 CFEDHN CCN(Cc1cc(C#N)c(F)cc1F)C1CCOCC1 ZINC001237526474 779127380 /nfs/dbraw/zinc/12/73/80/779127380.db2.gz PLHCIVCWCOSDBW-UHFFFAOYSA-N 0 3 280.318 2.837 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046415077 779174459 /nfs/dbraw/zinc/17/44/59/779174459.db2.gz MBZUSRUWZDCGEK-RDJZCZTQSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046415559 779174822 /nfs/dbraw/zinc/17/48/22/779174822.db2.gz OZRGKZAZOYPZHQ-WMZOPIPTSA-N 0 3 288.435 2.727 20 30 CFEDHN O=C1C=C2CN(Cc3cnc(C4CC4)s3)CCC2S1 ZINC001237786991 779178036 /nfs/dbraw/zinc/17/80/36/779178036.db2.gz QQLVZOKZKKWEJV-LBPRGKRZSA-N 0 3 292.429 2.795 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2)CC(C)(C)C1 ZINC001089304207 779180122 /nfs/dbraw/zinc/18/01/22/779180122.db2.gz YZPPJLQYGZMYJW-MRXNPFEDSA-N 0 3 284.403 2.540 20 30 CFEDHN C[C@@H](Cc1cccc(F)c1)NC(=N)c1ccc(F)cn1 ZINC001168458084 779183224 /nfs/dbraw/zinc/18/32/24/779183224.db2.gz DLUGVPLLNYESKN-JTQLQIEISA-N 0 3 275.302 2.696 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@@H](C)c1cc(C)oc1C ZINC001168457160 779183826 /nfs/dbraw/zinc/18/38/26/779183826.db2.gz BPZUWOJHMIOLPO-LBPRGKRZSA-N 0 3 298.814 2.848 20 30 CFEDHN O=C1C=C2CN(Cc3cncc(C4CC4)c3)CCC2S1 ZINC001238184307 779272432 /nfs/dbraw/zinc/27/24/32/779272432.db2.gz KUWYKRQMKDDUON-OAHLLOKOSA-N 0 3 286.400 2.733 20 30 CFEDHN N#Cc1cc(CN2CCN(C3CCC3)CC2)ccc1Cl ZINC001238189820 779274677 /nfs/dbraw/zinc/27/46/77/779274677.db2.gz XGIYOQDJWUTKRC-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN CCN(CCn1cccn1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191548 779274997 /nfs/dbraw/zinc/27/49/97/779274997.db2.gz NGWAQLDROMPKQH-UHFFFAOYSA-N 0 3 288.782 2.930 20 30 CFEDHN CCOC(=O)CCN(C)Cc1ccc(Cl)c(C#N)c1 ZINC001238193125 779276899 /nfs/dbraw/zinc/27/68/99/779276899.db2.gz YMVUHMRBARFBNI-UHFFFAOYSA-N 0 3 280.755 2.597 20 30 CFEDHN CCN1CCC[C@H](Oc2c(C)cc(C#N)cc2OC)C1 ZINC001234865365 779277414 /nfs/dbraw/zinc/27/74/14/779277414.db2.gz RRZNIQJGUCBMRD-AWEZNQCLSA-N 0 3 274.364 2.738 20 30 CFEDHN C#CCN1CC[C@@]2(CCCN2Cc2ccc(C)cc2C)C1=O ZINC001272640205 779366395 /nfs/dbraw/zinc/36/63/95/779366395.db2.gz UJRIALSVUARJSC-IBGZPJMESA-N 0 3 296.414 2.504 20 30 CFEDHN C=CCCN1CC[C@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843400 779396945 /nfs/dbraw/zinc/39/69/45/779396945.db2.gz WBYRKVKGJAGSHM-ZDUSSCGKSA-N 0 3 299.827 2.567 20 30 CFEDHN C#CCCN1CC[C@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864905 779399546 /nfs/dbraw/zinc/39/95/46/779399546.db2.gz YGBWEPTZGABMEG-JMLCCBQJSA-N 0 3 290.451 2.663 20 30 CFEDHN N#Cc1ncc(-c2cncc(CN3CCCC3)c2)cc1F ZINC001238991658 779435550 /nfs/dbraw/zinc/43/55/50/779435550.db2.gz ADSXAQOBGUWUPD-UHFFFAOYSA-N 0 3 282.322 2.750 20 30 CFEDHN CCCCCCCNC(=O)N1CCN[C@@H](CC(C)C)C1 ZINC001239288095 779502151 /nfs/dbraw/zinc/50/21/51/779502151.db2.gz KVXJYOOGFIJEQT-HNNXBMFYSA-N 0 3 283.460 2.986 20 30 CFEDHN CCCCCCCCNC(=S)N[C@@H]1CCNC[C@@H]1F ZINC001239355265 779533587 /nfs/dbraw/zinc/53/35/87/779533587.db2.gz GAHPXTINCYLYLV-QWHCGFSZSA-N 0 3 289.464 2.511 20 30 CFEDHN CC(=O)NC[C@@H]1CCC(C)(C)CN1Cc1ccc(C#N)cc1 ZINC001089598390 779535663 /nfs/dbraw/zinc/53/56/63/779535663.db2.gz DZCKUHXSOKFVRZ-KRWDZBQOSA-N 0 3 299.418 2.685 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089599987 779539001 /nfs/dbraw/zinc/53/90/01/779539001.db2.gz HFRPBGUCYNGUMO-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCC1 ZINC001089600756 779540757 /nfs/dbraw/zinc/54/07/57/779540757.db2.gz QMQJGXAOOKGXGZ-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC12CC2 ZINC001272675434 779544960 /nfs/dbraw/zinc/54/49/60/779544960.db2.gz LHCXEHSOUFGXQC-INIZCTEOSA-N 0 3 284.403 2.721 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001089635025 779550493 /nfs/dbraw/zinc/55/04/93/779550493.db2.gz KWWPRLZDDVDZEP-AWEZNQCLSA-N 0 3 289.423 2.730 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001089705518 779573390 /nfs/dbraw/zinc/57/33/90/779573390.db2.gz GJBACPUIHSFSSX-HUUCEWRRSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089702027 779573461 /nfs/dbraw/zinc/57/34/61/779573461.db2.gz SZCAHFQJKQLNGX-KBPBESRZSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)C ZINC001089775104 779590978 /nfs/dbraw/zinc/59/09/78/779590978.db2.gz DUYQCIZVZJRKBH-YJNKXOJESA-N 0 3 296.842 2.564 20 30 CFEDHN C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CC23CCC3)cc1 ZINC001272700734 779661169 /nfs/dbraw/zinc/66/11/69/779661169.db2.gz MQACPEMJOSGYKT-RHSMWYFYSA-N 0 3 296.414 2.777 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107514853 779854534 /nfs/dbraw/zinc/85/45/34/779854534.db2.gz ZACLVMNQBQGERY-ZMSDIMECSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107851898 779908978 /nfs/dbraw/zinc/90/89/78/779908978.db2.gz COYAQPVWPAMYCD-AHEQBSSSSA-N 0 3 294.439 2.514 20 30 CFEDHN C[C@@H]1CCC[C@@H]1CC(=O)NCCNCc1cccc(C#N)c1 ZINC001127921936 779938415 /nfs/dbraw/zinc/93/84/15/779938415.db2.gz LWMVEZGPGZVCHR-RHSMWYFYSA-N 0 3 299.418 2.590 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(F)F ZINC001032540831 780018723 /nfs/dbraw/zinc/01/87/23/780018723.db2.gz RWAKJMFIRZXRNH-MELADBBJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC=CCC1 ZINC001032566882 780040124 /nfs/dbraw/zinc/04/01/24/780040124.db2.gz YXSMIAMJVWCOEC-PMPSAXMXSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C(C)CCC(=O)NC[C@@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001107976268 780051351 /nfs/dbraw/zinc/05/13/51/780051351.db2.gz HTZKJTUKGYJMCF-RDJZCZTQSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032612931 780072517 /nfs/dbraw/zinc/07/25/17/780072517.db2.gz HIQJHWOQROKYRR-KKUMJFAQSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(C)c1 ZINC001032653824 780115440 /nfs/dbraw/zinc/11/54/40/780115440.db2.gz FZHLFLRJFLTKOW-NJAFHUGGSA-N 0 3 298.430 2.960 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)c1 ZINC001032683381 780126520 /nfs/dbraw/zinc/12/65/20/780126520.db2.gz AGBUFZWCTTXGTA-GJZGRUSLSA-N 0 3 290.432 2.921 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCCC1 ZINC001032725942 780154085 /nfs/dbraw/zinc/15/40/85/780154085.db2.gz DPWQJOUAXYYIRG-BPUTZDHNSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001032763788 780196994 /nfs/dbraw/zinc/19/69/94/780196994.db2.gz RIQWPSQXMNMNGQ-IRXDYDNUSA-N 0 3 284.403 2.778 20 30 CFEDHN C=CCN1CC[C@]2(CCCN2Cc2cccc(C)c2)C1=O ZINC001272906729 780205493 /nfs/dbraw/zinc/20/54/93/780205493.db2.gz FECBLIGAYJHBLY-GOSISDBHSA-N 0 3 284.403 2.748 20 30 CFEDHN C=CCN1CCC2(CCN(Cc3cccc(C)c3)CC2)C1=O ZINC001272907113 780206681 /nfs/dbraw/zinc/20/66/81/780206681.db2.gz OQHILJGZFKHAOY-UHFFFAOYSA-N 0 3 298.430 2.996 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC2CCC1CC2 ZINC001032807130 780261228 /nfs/dbraw/zinc/26/12/28/780261228.db2.gz YYAWNVDOLFJEEY-LMNGEROHSA-N 0 3 288.435 2.674 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001272967785 780396241 /nfs/dbraw/zinc/39/62/41/780396241.db2.gz URNFJKVWJKQXTI-LBPRGKRZSA-N 0 3 284.831 2.804 20 30 CFEDHN C=C(C)CCC(=O)NCCNCc1cccc(Cl)c1 ZINC001128405397 780427539 /nfs/dbraw/zinc/42/75/39/780427539.db2.gz XXJGTFZNLHMUAM-UHFFFAOYSA-N 0 3 280.799 2.902 20 30 CFEDHN C=CCC1(C(=O)N[C@@H](C)CCNCC(=C)Cl)CCC1 ZINC001273001394 780471380 /nfs/dbraw/zinc/47/13/80/780471380.db2.gz GKGDZVODLZRGSE-ZDUSSCGKSA-N 0 3 284.831 2.970 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@@H](C)C(C)(F)F ZINC001273019514 780533504 /nfs/dbraw/zinc/53/35/04/780533504.db2.gz WXGYUHGGERFNQX-VHSXEESVSA-N 0 3 282.762 2.515 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033183684 780606906 /nfs/dbraw/zinc/60/69/06/780606906.db2.gz LHKNPUYIYHFOEX-DLBZAZTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033346723 780661796 /nfs/dbraw/zinc/66/17/96/780661796.db2.gz SEWZHLFQELAXPH-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033387587 780674078 /nfs/dbraw/zinc/67/40/78/780674078.db2.gz JMRCPMNHSLWYBW-OAHLLOKOSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033416533 780676077 /nfs/dbraw/zinc/67/60/77/780676077.db2.gz MEPCRALJQKJOBJ-KGLIPLIRSA-N 0 3 292.448 2.960 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456545 780687449 /nfs/dbraw/zinc/68/74/49/780687449.db2.gz XGPJEAUMAQUREF-INIZCTEOSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033519834 780702487 /nfs/dbraw/zinc/70/24/87/780702487.db2.gz WYSFIVIGYDMYID-IAGOWNOFSA-N 0 3 298.430 2.825 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001033554218 780712686 /nfs/dbraw/zinc/71/26/86/780712686.db2.gz PMMSWOROACPSEO-ZDUSSCGKSA-N 0 3 291.395 2.520 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606552 780728678 /nfs/dbraw/zinc/72/86/78/780728678.db2.gz OJIYDIBXMQMYKP-HNNXBMFYSA-N 0 3 290.794 2.510 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033641073 780740693 /nfs/dbraw/zinc/74/06/93/780740693.db2.gz WDEVWCKJZFBYKB-AWEZNQCLSA-N 0 3 292.810 2.601 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033697932 780753181 /nfs/dbraw/zinc/75/31/81/780753181.db2.gz KPFBSSNVXHCGOZ-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033702010 780755937 /nfs/dbraw/zinc/75/59/37/780755937.db2.gz MVZSVWOSNBUOEW-LBPRGKRZSA-N 0 3 296.411 3.000 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034034050 780863628 /nfs/dbraw/zinc/86/36/28/780863628.db2.gz JXPZQNOMLKZDKN-SFHVURJKSA-N 0 3 298.430 2.809 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001034152000 780907862 /nfs/dbraw/zinc/90/78/62/780907862.db2.gz PQGSZXCPIKZJLC-NRXISQOPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001034261064 780932175 /nfs/dbraw/zinc/93/21/75/780932175.db2.gz QYUGGKRCDBGRFU-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001034261062 780932624 /nfs/dbraw/zinc/93/26/24/780932624.db2.gz QYUGGKRCDBGRFU-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN Cc1nc(C2=CCN(Cc3ccccc3)CC2)cnc1C#N ZINC001241502588 780947365 /nfs/dbraw/zinc/94/73/65/780947365.db2.gz NFNCBAZWUNXQGR-UHFFFAOYSA-N 0 3 290.370 2.946 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001034371681 780957305 /nfs/dbraw/zinc/95/73/05/780957305.db2.gz HSZYZEWMVXUUEI-MRXNPFEDSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034378495 780961462 /nfs/dbraw/zinc/96/14/62/780961462.db2.gz TXDLKIJJGVYZLM-INIZCTEOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034493959 780982710 /nfs/dbraw/zinc/98/27/10/780982710.db2.gz LTWZYTNRKRIFKZ-NVXWUHKLSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001034513062 780989772 /nfs/dbraw/zinc/98/97/72/780989772.db2.gz ULJJXWLHAXBMNY-MRXNPFEDSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC001034516041 780990115 /nfs/dbraw/zinc/99/01/15/780990115.db2.gz VYCGCKDPCAPINY-INIZCTEOSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC001034533924 780992523 /nfs/dbraw/zinc/99/25/23/780992523.db2.gz APIXHOHXTOWQOF-OAHLLOKOSA-N 0 3 289.423 2.839 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001045600900 781069562 /nfs/dbraw/zinc/06/95/62/781069562.db2.gz IQLHTXKMXAQFMY-QAPCUYQASA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cncc(C)c1)CC2 ZINC001035676767 781155706 /nfs/dbraw/zinc/15/57/06/781155706.db2.gz HAJGLLNTSLUJHM-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)(C)C)CC2 ZINC001035734024 781162678 /nfs/dbraw/zinc/16/26/78/781162678.db2.gz NIOLTHLVKHRYMV-HNNXBMFYSA-N 0 3 290.451 2.616 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1CCC1(C)C)CC2 ZINC001035770657 781166556 /nfs/dbraw/zinc/16/65/56/781166556.db2.gz HNJGSIRPXGQWTF-OAHLLOKOSA-N 0 3 290.451 2.923 20 30 CFEDHN CCCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001035879434 781179434 /nfs/dbraw/zinc/17/94/34/781179434.db2.gz HLRUPEOXAHYVFL-YOEHRIQHSA-N 0 3 299.418 2.685 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@H](C)c2ccccc2)CCC1 ZINC001273195784 781577446 /nfs/dbraw/zinc/57/74/46/781577446.db2.gz VKGFFDPQVZAMDX-INIZCTEOSA-N 0 3 298.430 2.832 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001079694512 781614779 /nfs/dbraw/zinc/61/47/79/781614779.db2.gz FCYPEDALDTUBPM-BZUAXINKSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001080083705 781633933 /nfs/dbraw/zinc/63/39/33/781633933.db2.gz FPQPOGCPARKDNA-IAQYHMDHSA-N 0 3 290.407 2.831 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001080162571 781637856 /nfs/dbraw/zinc/63/78/56/781637856.db2.gz UAYKNFRUEAXTQG-NOCIGQNYSA-N 0 3 298.430 2.587 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001080128518 781637959 /nfs/dbraw/zinc/63/79/59/781637959.db2.gz MBXNVXWRPLKXDO-OLMNPRSZSA-N 0 3 298.430 2.803 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001080208096 781640010 /nfs/dbraw/zinc/64/00/10/781640010.db2.gz BRMHDPIVWQAFKM-GDBMZVCRSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001080571469 781668123 /nfs/dbraw/zinc/66/81/23/781668123.db2.gz RZNAZHYKXYQLTC-BPLDGKMQSA-N 0 3 290.407 2.704 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC001080918257 781684713 /nfs/dbraw/zinc/68/47/13/781684713.db2.gz YTQYSGULQPTISQ-NVXWUHKLSA-N 0 3 286.419 2.550 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001080984307 781689583 /nfs/dbraw/zinc/68/95/83/781689583.db2.gz OSLHFJZFKAFTAJ-HLLBOEOZSA-N 0 3 286.419 2.721 20 30 CFEDHN Cc1cc(-c2cnccc2N2CCOCC2)ccc1C#N ZINC001242768939 781752158 /nfs/dbraw/zinc/75/21/58/781752158.db2.gz VQWDNZRPUHRWFB-UHFFFAOYSA-N 0 3 279.343 2.765 20 30 CFEDHN Cc1n[nH]c(C)c1CN(C)CCc1cccc(C#N)c1 ZINC001119304437 781757483 /nfs/dbraw/zinc/75/74/83/781757483.db2.gz TXEATCCBRVMVGK-UHFFFAOYSA-N 0 3 268.364 2.573 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC3(C)C)[C@@H]2C1 ZINC001084588760 781806575 /nfs/dbraw/zinc/80/65/75/781806575.db2.gz KODZYVCLYLZJGB-OWCLPIDISA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC ZINC001098911276 781825469 /nfs/dbraw/zinc/82/54/69/781825469.db2.gz RSSJDEBGSSZQAW-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)[C@@H]2C1 ZINC001084743526 781828814 /nfs/dbraw/zinc/82/88/14/781828814.db2.gz QWDOYFDPDDUCHU-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)C[C@@H]21 ZINC001084968490 781869066 /nfs/dbraw/zinc/86/90/66/781869066.db2.gz LHKZBIXAWQTKOB-IMJJTQAJSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(F)(F)F ZINC001098948684 781901521 /nfs/dbraw/zinc/90/15/21/781901521.db2.gz DFOFYANZYJOMJG-LLVKDONJSA-N 0 3 292.345 2.732 20 30 CFEDHN CS[C@H](CO)[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594514048 349437097 /nfs/dbraw/zinc/43/70/97/349437097.db2.gz OSTKLWHZVPLGNX-SWLSCSKDSA-N 0 3 292.448 2.690 20 30 CFEDHN C[C@@H](Cc1ccccn1)NCc1ccc(C#N)cc1F ZINC000594516898 349439226 /nfs/dbraw/zinc/43/92/26/349439226.db2.gz GWDAEJGUBSVQME-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN CC[C@@H](N)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594655726 349469051 /nfs/dbraw/zinc/46/90/51/349469051.db2.gz BGYWPSKGNAHSBD-LLVKDONJSA-N 0 3 295.268 2.568 20 30 CFEDHN N#CC1(c2ccc(CN[C@H]3CCCOC3)cc2)CC1 ZINC000594919641 349506781 /nfs/dbraw/zinc/50/67/81/349506781.db2.gz IFSIWTPKGSKTQL-HNNXBMFYSA-N 0 3 256.349 2.510 20 30 CFEDHN N#CC1(c2ccc(CNCCOCC(F)(F)F)cc2)CC1 ZINC000594915329 349504882 /nfs/dbraw/zinc/50/48/82/349504882.db2.gz SMUSPCVLLNTUJN-UHFFFAOYSA-N 0 3 298.308 2.910 20 30 CFEDHN Cc1nn(C)c(C)c1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594926951 349512262 /nfs/dbraw/zinc/51/22/62/349512262.db2.gz PBUWMGWLLZNPIT-UHFFFAOYSA-N 0 3 294.402 2.882 20 30 CFEDHN N#CC1(c2ccc(CNC[C@H]3CCCO3)cc2)CC1 ZINC000594929725 349514228 /nfs/dbraw/zinc/51/42/28/349514228.db2.gz WUPHGSFAPGKIHF-OAHLLOKOSA-N 0 3 256.349 2.510 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1ccc(C#N)cc1F ZINC000594955523 349527137 /nfs/dbraw/zinc/52/71/37/349527137.db2.gz ANLXIQNFJPOULZ-HNNXBMFYSA-N 0 3 276.355 2.992 20 30 CFEDHN CC[C@H](NCc1ccc(C2(C#N)CC2)cc1)[C@H](O)C(F)F ZINC000594956940 349529372 /nfs/dbraw/zinc/52/93/72/349529372.db2.gz LNEQPSZDWGBSBY-KBPBESRZSA-N 0 3 294.345 2.736 20 30 CFEDHN CC(C)(C)N1CC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000594957209 349529542 /nfs/dbraw/zinc/52/95/42/349529542.db2.gz PYRXHQWCBFEDHF-LLVKDONJSA-N 0 3 263.410 2.582 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)CCc2ccccc2)cc1 ZINC000273072147 192036544 /nfs/dbraw/zinc/03/65/44/192036544.db2.gz HKENUOANGXHRAG-GOSISDBHSA-N 0 3 280.371 2.642 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)c1ccccn1 ZINC000594954528 349527638 /nfs/dbraw/zinc/52/76/38/349527638.db2.gz NASSGWMUPGOZQH-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN COc1ccsc1CNCCc1ccc(C#N)cc1 ZINC000594956179 349528303 /nfs/dbraw/zinc/52/83/03/349528303.db2.gz VRAODXJJMJMQKM-UHFFFAOYSA-N 0 3 272.373 2.961 20 30 CFEDHN C=CCCSCCNCc1ccc2c(c1)ncn2C ZINC000594960188 349530532 /nfs/dbraw/zinc/53/05/32/349530532.db2.gz MWAJLZSICVFWML-UHFFFAOYSA-N 0 3 275.421 2.972 20 30 CFEDHN C=CCCSCCNCc1cn2ccccc2n1 ZINC000594960608 349530637 /nfs/dbraw/zinc/53/06/37/349530637.db2.gz VXRNGOKDJHWGOA-UHFFFAOYSA-N 0 3 261.394 2.733 20 30 CFEDHN C=CCCSCCNCc1cnn(C(C)C)c1 ZINC000594960887 349530665 /nfs/dbraw/zinc/53/06/65/349530665.db2.gz ZLKGEHXQYLIWTQ-UHFFFAOYSA-N 0 3 253.415 2.863 20 30 CFEDHN C=CCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000594967635 349533838 /nfs/dbraw/zinc/53/38/38/349533838.db2.gz GAOMZVQWAHTBNW-UHFFFAOYSA-N 0 3 250.298 2.659 20 30 CFEDHN C=CCC1(NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000594977491 349537020 /nfs/dbraw/zinc/53/70/20/349537020.db2.gz RNIHSOAHAWNBHZ-UHFFFAOYSA-N 0 3 294.326 2.949 20 30 CFEDHN C[C@@H]1CCC[C@@H](CNCc2cc(C#N)cs2)O1 ZINC000594986019 349538701 /nfs/dbraw/zinc/53/87/01/349538701.db2.gz RPWWLOCXBJLAEC-PWSUYJOCSA-N 0 3 250.367 2.667 20 30 CFEDHN N#CC1(c2ccc(CN[C@H]3C[C@H](O)C34CCC4)cc2)CC1 ZINC000594990513 349541304 /nfs/dbraw/zinc/54/13/04/349541304.db2.gz ZNPDLPDXNUJESQ-HOTGVXAUSA-N 0 3 282.387 2.635 20 30 CFEDHN CCSC1(CNCc2cnc3ccc(C#N)cn23)CC1 ZINC000594986976 349540279 /nfs/dbraw/zinc/54/02/79/349540279.db2.gz QDMMCCGDHQOQAP-UHFFFAOYSA-N 0 3 286.404 2.581 20 30 CFEDHN CC1(C)[C@H](CNCc2cccc(C#N)c2)C1(F)F ZINC000594991477 349541155 /nfs/dbraw/zinc/54/11/55/349541155.db2.gz IBMYEQLQFMWRLW-LBPRGKRZSA-N 0 3 250.292 2.939 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000594994632 349542077 /nfs/dbraw/zinc/54/20/77/349542077.db2.gz MXOSMKANEHDUGK-MRXNPFEDSA-N 0 3 276.355 2.992 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCN2Cc2ccccc2)c1 ZINC000594998967 349542833 /nfs/dbraw/zinc/54/28/33/349542833.db2.gz MYCVYUJFQGVGBC-INIZCTEOSA-N 0 3 297.427 2.984 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCN2Cc2ccccc2)c1 ZINC000594998888 349543317 /nfs/dbraw/zinc/54/33/17/349543317.db2.gz LBDBFLDAZPHKBZ-LJQANCHMSA-N 0 3 291.398 2.922 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595049811 349564623 /nfs/dbraw/zinc/56/46/23/349564623.db2.gz DMRMKNXCKAQPMM-VXGBXAGGSA-N 0 3 294.351 2.581 20 30 CFEDHN C=CCCSCCN[C@@H](c1nccn1C)C1CC1 ZINC000595058303 349569263 /nfs/dbraw/zinc/56/92/63/349569263.db2.gz HAGNDHKJRLIDEO-CYBMUJFWSA-N 0 3 265.426 2.770 20 30 CFEDHN C=CCCSCCN[C@@H]1CCCc2c1cnn2C ZINC000595059368 349570504 /nfs/dbraw/zinc/57/05/04/349570504.db2.gz NAOUGGXFUKUHOA-CYBMUJFWSA-N 0 3 265.426 2.696 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCO[C@H]1CC1(F)F)CC2 ZINC000595066873 349572455 /nfs/dbraw/zinc/57/24/55/349572455.db2.gz CMSQWFHMEMVSFR-KGLIPLIRSA-N 0 3 278.302 2.559 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1COC2(CCC2)C1 ZINC000595039135 349560319 /nfs/dbraw/zinc/56/03/19/349560319.db2.gz CXDJCQGZYVJBCE-HOCLYGCPSA-N 0 3 268.360 2.847 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](O)C12CCC2)c1cccc(C#N)c1 ZINC000595091040 349578508 /nfs/dbraw/zinc/57/85/08/349578508.db2.gz RESNAGWZYKLQNS-NILFDRSVSA-N 0 3 256.349 2.512 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@H](O)C12CCC2 ZINC000595091927 349579377 /nfs/dbraw/zinc/57/93/77/349579377.db2.gz UURJCNOMEOSBHD-BBWFWOEESA-N 0 3 282.387 2.829 20 30 CFEDHN CO[C@@]1(C)C[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000595110001 349583243 /nfs/dbraw/zinc/58/32/43/349583243.db2.gz YOMSXZJSMOAJEZ-XHSDSOJGSA-N 0 3 256.349 2.703 20 30 CFEDHN CC(C)c1ccc2c(c1)CN(C(=O)[C@H](N)CCCC#N)CC2 ZINC000595256449 349588015 /nfs/dbraw/zinc/58/80/15/349588015.db2.gz LYBNOSNVKVPUAV-QGZVFWFLSA-N 0 3 299.418 2.716 20 30 CFEDHN C[C@H]1C[C@H](CNC(=O)[C@@H](N)CCCCC#N)C[C@@H](C)C1 ZINC000595257066 349588453 /nfs/dbraw/zinc/58/84/53/349588453.db2.gz PHDIOAJZGVCHQY-YJNKXOJESA-N 0 3 279.428 2.586 20 30 CFEDHN C[C@H](CNC(=O)[C@@H](N)CCCCC#N)C1CCCCC1 ZINC000595260315 349588992 /nfs/dbraw/zinc/58/89/92/349588992.db2.gz ZMMKVGANUCCVGE-HIFRSBDPSA-N 0 3 279.428 2.730 20 30 CFEDHN CCN1CCCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595309368 349599411 /nfs/dbraw/zinc/59/94/11/349599411.db2.gz RNAWWUWOTBJJGY-OAHLLOKOSA-N 0 3 277.799 2.932 20 30 CFEDHN CC[C@@H]1CN(CCc2ccc(C#N)cc2)CCS1 ZINC000595332149 349603450 /nfs/dbraw/zinc/60/34/50/349603450.db2.gz CFYWZHZGRLGCMD-OAHLLOKOSA-N 0 3 260.406 2.928 20 30 CFEDHN N#Cc1ccc(CCN2CCN(C3CCCC3)CC2)cc1 ZINC000595292601 349593204 /nfs/dbraw/zinc/59/32/04/349593204.db2.gz ZXVRXVSMSGHSIT-UHFFFAOYSA-N 0 3 283.419 2.661 20 30 CFEDHN COCCN(CCc1ccc(C#N)cc1)Cc1ccco1 ZINC000595298524 349596277 /nfs/dbraw/zinc/59/62/77/349596277.db2.gz QRFOIUUDIPIQMC-UHFFFAOYSA-N 0 3 284.359 2.842 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595376557 349612030 /nfs/dbraw/zinc/61/20/30/349612030.db2.gz KYFPXWFLWLVGLV-NQYYFHDYSA-N 0 3 295.430 2.915 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)[C@@H]1CCCc2c1cnn2C ZINC000595390940 349615399 /nfs/dbraw/zinc/61/53/99/349615399.db2.gz ZVLJVXOUDJSKSS-QGZVFWFLSA-N 0 3 294.402 2.844 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595396707 349616252 /nfs/dbraw/zinc/61/62/52/349616252.db2.gz FCMPIMFQVDXJPX-TWMKSMIVSA-N 0 3 275.440 2.588 20 30 CFEDHN CCN1C[C@H](C)N(CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595404790 349617393 /nfs/dbraw/zinc/61/73/93/349617393.db2.gz NRPDVLUULBAVKA-GJZGRUSLSA-N 0 3 271.408 2.515 20 30 CFEDHN COC[C@H](NCCc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000595433074 349625142 /nfs/dbraw/zinc/62/51/42/349625142.db2.gz UYEIMSNXRCLSTK-INIZCTEOSA-N 0 3 284.359 2.980 20 30 CFEDHN N#Cc1cc(N[C@@H]2CCN(C3CC3)C2)nc2ccccc12 ZINC000068770349 346868815 /nfs/dbraw/zinc/86/88/15/346868815.db2.gz BHQZTQWNUSGYEU-CYBMUJFWSA-N 0 3 278.359 2.755 20 30 CFEDHN CO[C@@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CCC1 ZINC000595473488 349637694 /nfs/dbraw/zinc/63/76/94/349637694.db2.gz WKVZLKUSJDROFA-INIZCTEOSA-N 0 3 299.418 2.754 20 30 CFEDHN Cc1cc(C)n(CCN(C)Cc2cccc(C#N)c2)n1 ZINC000068805956 346871339 /nfs/dbraw/zinc/87/13/39/346871339.db2.gz RXTQWUGWJAXWHK-UHFFFAOYSA-N 0 3 268.364 2.504 20 30 CFEDHN C[C@H]1CN([C@@H](C#N)c2ccccc2)CCN(C2CC2)C1 ZINC000595506685 349646152 /nfs/dbraw/zinc/64/61/52/349646152.db2.gz GGEUUMXCOQNQBW-PBHICJAKSA-N 0 3 269.392 2.667 20 30 CFEDHN N#Cc1ccc(CN(C2CC2)C2(CO)CCC2)cc1F ZINC000595532786 349651714 /nfs/dbraw/zinc/65/17/14/349651714.db2.gz CEERRGBAAAPVLK-UHFFFAOYSA-N 0 3 274.339 2.577 20 30 CFEDHN N#Cc1ccc(N2CC[C@@H](N3C[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000595565408 349661903 /nfs/dbraw/zinc/66/19/03/349661903.db2.gz HDZQKHZAESHKNI-BHYGNILZSA-N 0 3 295.386 2.538 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1C[C@@H]2CCCC[C@@H]21 ZINC000595568489 349663342 /nfs/dbraw/zinc/66/33/42/349663342.db2.gz VPCWBGVAZCHNIS-GJZGRUSLSA-N 0 3 286.375 2.820 20 30 CFEDHN CC[C@H](C)N(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000595593481 349667942 /nfs/dbraw/zinc/66/79/42/349667942.db2.gz QJONRFWPIOXITM-AWEZNQCLSA-N 0 3 279.428 2.792 20 30 CFEDHN N#CC[C@H]1CCCN(CCOCCOc2ccccc2)C1 ZINC000595611297 349674656 /nfs/dbraw/zinc/67/46/56/349674656.db2.gz IYJGJAUZYHTLSP-MRXNPFEDSA-N 0 3 288.391 2.708 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)NCC2CCCCC2)C1 ZINC000595613777 349675989 /nfs/dbraw/zinc/67/59/89/349675989.db2.gz HIQLNXCKUVSURS-MRXNPFEDSA-N 0 3 291.439 2.699 20 30 CFEDHN CN(C)[C@@H]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000355626521 282183597 /nfs/dbraw/zinc/18/35/97/282183597.db2.gz VZHYBMCXEJVRLC-DLBZAZTESA-N 0 3 299.418 2.627 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000595622451 349680371 /nfs/dbraw/zinc/68/03/71/349680371.db2.gz ATIBVBDVDRTVOE-CJNGLKHVSA-N 0 3 292.810 2.869 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@H](O)C2CCCCC2)C1 ZINC000595623500 349680624 /nfs/dbraw/zinc/68/06/24/349680624.db2.gz RTJIWMAILDJTNQ-ZFWWWQNUSA-N 0 3 250.386 2.553 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)co2)C1 ZINC000595661061 349693826 /nfs/dbraw/zinc/69/38/26/349693826.db2.gz XCNRPRKOACKSAY-LBPRGKRZSA-N 0 3 263.337 2.854 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000595670267 349695753 /nfs/dbraw/zinc/69/57/53/349695753.db2.gz ACPDOSSFRCDNGX-XJKSGUPXSA-N 0 3 258.365 2.541 20 30 CFEDHN Cc1cc(CN2CCC[C@@](O)(C3CC3)C2)ccc1C#N ZINC000595752154 349724240 /nfs/dbraw/zinc/72/42/40/349724240.db2.gz SVXFHVYIFLCRSC-KRWDZBQOSA-N 0 3 270.376 2.604 20 30 CFEDHN C[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1CCO ZINC000595706890 349712322 /nfs/dbraw/zinc/71/23/22/349712322.db2.gz YFIZUWZHMIHERL-CJNGLKHVSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CCC1(NCc2cccc(C(=O)OC)n2)CCCC1 ZINC000595780662 349731866 /nfs/dbraw/zinc/73/18/66/349731866.db2.gz YRHPKCFFBIPLTC-UHFFFAOYSA-N 0 3 274.364 2.847 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000595781203 349731977 /nfs/dbraw/zinc/73/19/77/349731977.db2.gz AMWNNYTXWDTKQX-FMKPAKJESA-N 0 3 279.428 2.551 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H]([C@H]3CCCCO3)C2)ccn1 ZINC000595788942 349734040 /nfs/dbraw/zinc/73/40/40/349734040.db2.gz OMVGCUBBLIPOCG-DOTOQJQBSA-N 0 3 285.391 2.734 20 30 CFEDHN CC(C)NC(=O)[C@@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000595852258 349755165 /nfs/dbraw/zinc/75/51/65/349755165.db2.gz YSMYHLDFXRRBOP-RHSMWYFYSA-N 0 3 299.418 2.856 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H]1CC1(C)C ZINC000595911481 349767592 /nfs/dbraw/zinc/76/75/92/349767592.db2.gz XCFVMDUHJOLVHJ-GXTWGEPZSA-N 0 3 285.391 2.863 20 30 CFEDHN N#CC1(CC(=O)NC[C@H](N)c2ccccc2)CCCCC1 ZINC000595924060 349770241 /nfs/dbraw/zinc/77/02/41/349770241.db2.gz GTNZDHZHWSENBS-HNNXBMFYSA-N 0 3 285.391 2.667 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000595946565 349772227 /nfs/dbraw/zinc/77/22/27/349772227.db2.gz FPUUQYSXCLOMKZ-HZPDHXFCSA-N 0 3 291.439 2.826 20 30 CFEDHN C[C@H]1CCCN(CCNc2nc3ncccc3cc2C#N)C1 ZINC000596076196 349788008 /nfs/dbraw/zinc/78/80/08/349788008.db2.gz MPMQWFGTIKKWCN-ZDUSSCGKSA-N 0 3 295.390 2.645 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596118393 349799097 /nfs/dbraw/zinc/79/90/97/349799097.db2.gz YAXDDQPLDHRMMZ-ONGXEEELSA-N 0 3 269.270 2.882 20 30 CFEDHN CCN1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)[C@H](C)C1 ZINC000596135843 349804070 /nfs/dbraw/zinc/80/40/70/349804070.db2.gz BVFYJVSRPCUBPF-KOLCDFICSA-N 0 3 298.843 2.835 20 30 CFEDHN CCN1CCCN(c2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC000596268308 349848154 /nfs/dbraw/zinc/84/81/54/349848154.db2.gz HUYBYVJYGSFHAK-NSHDSACASA-N 0 3 278.787 2.527 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1CCCCCC1 ZINC000074198340 347001446 /nfs/dbraw/zinc/00/14/46/347001446.db2.gz ABENBLXZTQNJAT-HNNXBMFYSA-N 0 3 299.418 2.781 20 30 CFEDHN CC(C(=O)Nc1ccc(C#N)c(C#N)c1)C(F)(F)F ZINC000074955365 347044932 /nfs/dbraw/zinc/04/49/32/347044932.db2.gz NMWVRPOIIYKEMV-ZETCQYMHSA-N 0 3 267.210 2.567 20 30 CFEDHN CC(C)c1nnc(CCNCc2ccc(C#N)s2)s1 ZINC000492039913 534964456 /nfs/dbraw/zinc/96/44/56/534964456.db2.gz DKTSTGUOMOXWLJ-UHFFFAOYSA-N 0 3 292.433 2.927 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000344665569 530051626 /nfs/dbraw/zinc/05/16/26/530051626.db2.gz JOCROHVITJIGCJ-INIZCTEOSA-N 0 3 299.418 2.603 20 30 CFEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3)CC2)o1 ZINC000127335373 187297246 /nfs/dbraw/zinc/29/72/46/187297246.db2.gz HWANNXVNXJKCAS-UHFFFAOYSA-N 0 3 295.386 2.859 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Cc2ccco2)CC1 ZINC000668369809 539430236 /nfs/dbraw/zinc/43/02/36/539430236.db2.gz FOBNCUZIPWQOHT-CQSZACIVSA-N 0 3 290.407 2.615 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000668369497 539430295 /nfs/dbraw/zinc/43/02/95/539430295.db2.gz ZAHBTTTZSZPAGS-CQSZACIVSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCOCCNCc1ccc(F)c(Br)c1 ZINC000303551925 539474143 /nfs/dbraw/zinc/47/41/43/539474143.db2.gz VZVPYOJAKAAFIL-UHFFFAOYSA-N 0 3 288.160 2.880 20 30 CFEDHN C=C[C@H](CC(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000127510291 187312252 /nfs/dbraw/zinc/31/22/52/187312252.db2.gz MVEBHHXSGPZOPH-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C[C@@H](CC(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 ZINC000127510958 187311890 /nfs/dbraw/zinc/31/18/90/187311890.db2.gz MVEBHHXSGPZOPH-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCOc3ccccc32)o1 ZINC000174372363 232294406 /nfs/dbraw/zinc/29/44/06/232294406.db2.gz BXVZLBFASVWACH-LBPRGKRZSA-N 0 3 268.316 2.807 20 30 CFEDHN N#Cc1cccc(NC[C@H]2CCN2Cc2ccccc2)n1 ZINC000596558649 349941292 /nfs/dbraw/zinc/94/12/92/349941292.db2.gz SOEVMAXFRUQKBQ-MRXNPFEDSA-N 0 3 278.359 2.640 20 30 CFEDHN N#Cc1ccc(NC[C@H]2CCN2Cc2ccccc2)cn1 ZINC000596557748 349941480 /nfs/dbraw/zinc/94/14/80/349941480.db2.gz KDCRUIGVMFBLDW-QGZVFWFLSA-N 0 3 278.359 2.640 20 30 CFEDHN Cc1cc(NC[C@@H]2CCN2Cc2ccccc2)cc(C#N)n1 ZINC000596559090 349941618 /nfs/dbraw/zinc/94/16/18/349941618.db2.gz WGDYMZINXILBSL-SFHVURJKSA-N 0 3 292.386 2.948 20 30 CFEDHN N#Cc1ccc(NC[C@@H]2CCN2Cc2ccccc2)cn1 ZINC000596557747 349941757 /nfs/dbraw/zinc/94/17/57/349941757.db2.gz KDCRUIGVMFBLDW-KRWDZBQOSA-N 0 3 278.359 2.640 20 30 CFEDHN C[C@@H](C(=O)Nc1ccc(CC#N)cc1)N1CCCCCC1 ZINC000025408153 346259300 /nfs/dbraw/zinc/25/93/00/346259300.db2.gz AJCGSQFMDCAQRB-AWEZNQCLSA-N 0 3 285.391 2.956 20 30 CFEDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000030148891 346286745 /nfs/dbraw/zinc/28/67/45/346286745.db2.gz ANTVIIYDDHKTNB-SNVBAGLBSA-N 0 3 265.382 2.535 20 30 CFEDHN CN(Cc1cccc(N)c1)Cc1cccc(C#N)c1 ZINC000035359926 346319921 /nfs/dbraw/zinc/31/99/21/346319921.db2.gz CQXPCPTWPVWZBP-UHFFFAOYSA-N 0 3 251.333 2.772 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000044809434 346399028 /nfs/dbraw/zinc/39/90/28/346399028.db2.gz LAFHHUVJAXIKHC-HOCLYGCPSA-N 0 3 287.407 2.735 20 30 CFEDHN CCCCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000046602978 346430412 /nfs/dbraw/zinc/43/04/12/346430412.db2.gz JYZXMBLADNWMTA-UHFFFAOYSA-N 0 3 291.439 2.936 20 30 CFEDHN N#Cc1ccc(F)c(CN(C[C@H]2CCOC2)C2CC2)c1 ZINC000046092381 346419619 /nfs/dbraw/zinc/41/96/19/346419619.db2.gz WPSIBQWWBJPAFB-CYBMUJFWSA-N 0 3 274.339 2.698 20 30 CFEDHN C=CCN1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047892179 346459685 /nfs/dbraw/zinc/45/96/85/346459685.db2.gz NFBXADUECJJICZ-UHFFFAOYSA-N 0 3 290.382 2.648 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000051088046 346500168 /nfs/dbraw/zinc/50/01/68/346500168.db2.gz XZPXEISHCVUBFB-MRXNPFEDSA-N 0 3 299.418 2.688 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000057155584 346620079 /nfs/dbraw/zinc/62/00/79/346620079.db2.gz HSNBELPEPHECSW-HNNXBMFYSA-N 0 3 284.403 2.517 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CCCCC1 ZINC000057434494 346629294 /nfs/dbraw/zinc/62/92/94/346629294.db2.gz YKEUYDLWLOMPCR-HUUCEWRRSA-N 0 3 291.439 2.697 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1CC(C)(C)C ZINC000060877069 346672130 /nfs/dbraw/zinc/67/21/30/346672130.db2.gz TZVNSAFVYUEWSO-GJZGRUSLSA-N 0 3 293.455 2.895 20 30 CFEDHN CC(C)(C)C[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000060890024 346672846 /nfs/dbraw/zinc/67/28/46/346672846.db2.gz WOMBUUBBLOIAEA-WMLDXEAASA-N 0 3 291.439 2.695 20 30 CFEDHN COC(=O)CCN(Cc1ccccc1C#N)CC(C)C ZINC000063513312 346703360 /nfs/dbraw/zinc/70/33/60/346703360.db2.gz YJSIYXIFUAADAU-UHFFFAOYSA-N 0 3 274.364 2.579 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H]1C(C)C ZINC000064517589 346722732 /nfs/dbraw/zinc/72/27/32/346722732.db2.gz WBUAJJMARZYQEK-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H]1C[C@H](C)CN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000061757823 346682952 /nfs/dbraw/zinc/68/29/52/346682952.db2.gz ZFNLWPYFVNOKBN-GASCZTMLSA-N 0 3 291.439 2.649 20 30 CFEDHN C=C(C)COc1cc(CNC(C)(C)[C@@H](C)O)ccc1OC ZINC000270739775 190794210 /nfs/dbraw/zinc/79/42/10/190794210.db2.gz UOFOQQWSHNIXTB-CYBMUJFWSA-N 0 3 293.407 2.899 20 30 CFEDHN COCC#CCN(Cc1ccc(C)s1)C(C)C ZINC000677133124 539554564 /nfs/dbraw/zinc/55/45/64/539554564.db2.gz ITCYYZJGZCGRGR-UHFFFAOYSA-N 0 3 251.395 2.917 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000079605359 347316158 /nfs/dbraw/zinc/31/61/58/347316158.db2.gz JZPJLNJYGSPFOZ-KRWDZBQOSA-N 0 3 286.419 2.776 20 30 CFEDHN C=CCN1CCC(Nc2ncccc2Cl)CC1 ZINC000088720981 347508099 /nfs/dbraw/zinc/50/80/99/347508099.db2.gz XWBQQQCEOINPMB-UHFFFAOYSA-N 0 3 251.761 2.797 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000091506670 347591462 /nfs/dbraw/zinc/59/14/62/347591462.db2.gz BCYYCSAROGYOSM-OAHLLOKOSA-N 0 3 284.407 2.820 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H]1C[C@H](C)O ZINC000093482615 347676393 /nfs/dbraw/zinc/67/63/93/347676393.db2.gz IRJUGSRTZCBFAN-GOEBONIOSA-N 0 3 275.392 2.987 20 30 CFEDHN C[C@@H]1CC[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093498488 347677417 /nfs/dbraw/zinc/67/74/17/347677417.db2.gz JDXKDAGYRWCFPW-OLZOCXBDSA-N 0 3 268.364 2.826 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CC)CC2)CC1 ZINC000106275225 347730839 /nfs/dbraw/zinc/73/08/39/347730839.db2.gz ZERQTNOFYRFJGZ-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC1CCN(CC(=O)NCCc2ccccc2C)CC1 ZINC000111257755 347753073 /nfs/dbraw/zinc/75/30/73/347753073.db2.gz SRMWDHVNTZVURY-UHFFFAOYSA-N 0 3 286.419 2.552 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000124635886 347825646 /nfs/dbraw/zinc/82/56/46/347825646.db2.gz PRXPUCLZIMUDKD-WBVHZDCISA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC000668554205 539573256 /nfs/dbraw/zinc/57/32/56/539573256.db2.gz LJUXGYBCXRDZEU-ZIAGYGMSSA-N 0 3 275.392 2.700 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1 ZINC000668554464 539574314 /nfs/dbraw/zinc/57/43/14/539574314.db2.gz MYRNLEIKWVMCFM-KBPBESRZSA-N 0 3 275.392 2.700 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@@H](NC[C@@H](C)C#N)CC3 ZINC000133040838 347889197 /nfs/dbraw/zinc/88/91/97/347889197.db2.gz JMSNTVUJHWCNAS-RYUDHWBXSA-N 0 3 283.375 2.783 20 30 CFEDHN C=CCOc1ccc(CN(C)CCn2cccn2)cc1 ZINC000139528535 347920864 /nfs/dbraw/zinc/92/08/64/347920864.db2.gz BNQXKEGPXJHGTL-UHFFFAOYSA-N 0 3 271.364 2.580 20 30 CFEDHN C[C@H](CC1CCOCC1)NCc1ccc(C#N)cc1F ZINC000151164476 347960223 /nfs/dbraw/zinc/96/02/23/347960223.db2.gz GQTZNTNHAMTTEU-GFCCVEGCSA-N 0 3 276.355 2.992 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCCN1CCCC[C@H]1CC ZINC000154101013 347977538 /nfs/dbraw/zinc/97/75/38/347977538.db2.gz ULRDBHALLOHDAU-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN C[C@@H](N[C@H](C)C1CCC1)C(=O)Nc1ccccc1C#N ZINC000157753884 348002637 /nfs/dbraw/zinc/00/26/37/348002637.db2.gz AMCKLCHRQXEHQH-VXGBXAGGSA-N 0 3 271.364 2.663 20 30 CFEDHN CC#CCN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000160101581 348016080 /nfs/dbraw/zinc/01/60/80/348016080.db2.gz IEFPGTJXCJXORZ-UHFFFAOYSA-N 0 3 267.376 2.964 20 30 CFEDHN C=CCN1CCC(Nc2ccnc(C(C)C)n2)CC1 ZINC000171939561 348084365 /nfs/dbraw/zinc/08/43/65/348084365.db2.gz XPPYJJNETWAQQO-UHFFFAOYSA-N 0 3 260.385 2.662 20 30 CFEDHN C=CCN1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000188377436 348132130 /nfs/dbraw/zinc/13/21/30/348132130.db2.gz FGBMBHWBTPTUHG-UHFFFAOYSA-N 0 3 275.352 2.966 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCCC[C@H]1SCC ZINC000189501881 348133859 /nfs/dbraw/zinc/13/38/59/348133859.db2.gz QKECYFXMKXAESG-LSDHHAIUSA-N 0 3 296.480 2.841 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCSC[C@H](C)C1 ZINC000190397053 348135570 /nfs/dbraw/zinc/13/55/70/348135570.db2.gz KDTCOVAWABVXIY-GFCCVEGCSA-N 0 3 276.405 2.752 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@@H]2CC)CC1 ZINC000187837665 348131511 /nfs/dbraw/zinc/13/15/11/348131511.db2.gz MAKQJXXUKSHFEK-HOCLYGCPSA-N 0 3 293.455 2.857 20 30 CFEDHN CC1(C)CCN(Cc2ccnc(C#N)c2)CCS1 ZINC000228087981 348193303 /nfs/dbraw/zinc/19/33/03/348193303.db2.gz QLUUKAYUVAUIHR-UHFFFAOYSA-N 0 3 261.394 2.671 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000668596243 539606615 /nfs/dbraw/zinc/60/66/15/539606615.db2.gz ZSHVEWODDBWOKU-WBVHZDCISA-N 0 3 273.376 2.720 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H](C)N2CCC[C@@H](C)C2)n1 ZINC000245696790 348257076 /nfs/dbraw/zinc/25/70/76/348257076.db2.gz BOABUAFORRTFJA-TZMCWYRMSA-N 0 3 272.396 2.794 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000246737639 348266073 /nfs/dbraw/zinc/26/60/73/348266073.db2.gz KFLZHMQUCFGLCV-CABCVRRESA-N 0 3 281.444 2.714 20 30 CFEDHN CCN1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000677194113 539616015 /nfs/dbraw/zinc/61/60/15/539616015.db2.gz HDCSJIPVUBQKKE-CQSZACIVSA-N 0 3 276.811 2.718 20 30 CFEDHN C[C@H](NCCCC1(C#N)CCOCC1)c1ccccn1 ZINC000281233321 348342580 /nfs/dbraw/zinc/34/25/80/348342580.db2.gz FOPMNYZCEHYNTL-AWEZNQCLSA-N 0 3 273.380 2.833 20 30 CFEDHN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293549327 348362913 /nfs/dbraw/zinc/36/29/13/348362913.db2.gz RBRBPDWFJBMIMC-FUHWJXTLSA-N 0 3 299.418 2.647 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000310805147 348410502 /nfs/dbraw/zinc/41/05/02/348410502.db2.gz HPKLQLBNIJVXIB-NSHDSACASA-N 0 3 254.255 2.975 20 30 CFEDHN Cc1nc(N2CC[C@@H](N3CCCC3)C2)c(Cl)cc1C#N ZINC000312501347 348418810 /nfs/dbraw/zinc/41/88/10/348418810.db2.gz FDMQOQGYXCEPOC-CYBMUJFWSA-N 0 3 290.798 2.590 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2sccc2F)CC1 ZINC000339998633 348454914 /nfs/dbraw/zinc/45/49/14/348454914.db2.gz HLNYWOQVIKPSRC-UHFFFAOYSA-N 0 3 282.384 2.658 20 30 CFEDHN C=CCCC1(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000354592510 348501621 /nfs/dbraw/zinc/50/16/21/348501621.db2.gz DEZUBMLAIJJFPU-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN CC#CCCN1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365424536 348511853 /nfs/dbraw/zinc/51/18/53/348511853.db2.gz XCNGAHBDYRYBRI-HUUCEWRRSA-N 0 3 292.423 2.731 20 30 CFEDHN CN(CCOCc1ccccc1)CC1(CC#N)CC1 ZINC000384305430 348532596 /nfs/dbraw/zinc/53/25/96/348532596.db2.gz BUTRZHFOIDZMCB-UHFFFAOYSA-N 0 3 258.365 2.829 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)o2)CCN(Cc2ccccc2)C1 ZINC000406002860 348598893 /nfs/dbraw/zinc/59/88/93/348598893.db2.gz OCOKJMLZPCGVDU-SFHVURJKSA-N 0 3 295.386 2.905 20 30 CFEDHN C[C@H](CCC#N)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000411764198 348603952 /nfs/dbraw/zinc/60/39/52/348603952.db2.gz DSWCPCMWKGIEAC-WBVHZDCISA-N 0 3 271.408 2.537 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1 ZINC000398140260 348566789 /nfs/dbraw/zinc/56/67/89/348566789.db2.gz ZFMTYVZMMOCFLL-CJNGLKHVSA-N 0 3 261.365 2.909 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000399057528 348568303 /nfs/dbraw/zinc/56/83/03/348568303.db2.gz XSHSZVSJNPKPBN-MRXNPFEDSA-N 0 3 258.365 2.754 20 30 CFEDHN COC(=O)C[C@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000399217821 348568670 /nfs/dbraw/zinc/56/86/70/348568670.db2.gz JLGLWKCBJWLBCM-MRXNPFEDSA-N 0 3 286.375 2.670 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@H]1CCCN1C1CC1 ZINC000426771333 348613882 /nfs/dbraw/zinc/61/38/82/348613882.db2.gz AZOOFVAQFREFJJ-OAHLLOKOSA-N 0 3 264.413 2.818 20 30 CFEDHN C=CCCC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000456323552 348623903 /nfs/dbraw/zinc/62/39/03/348623903.db2.gz FEIYZAAGUTXUOD-INIZCTEOSA-N 0 3 286.419 2.933 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000497317126 348638955 /nfs/dbraw/zinc/63/89/55/348638955.db2.gz YANGEEONBDTSKD-RYUDHWBXSA-N 0 3 254.374 2.550 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC[C@@H](C#N)CCC#N ZINC000580316624 348673207 /nfs/dbraw/zinc/67/32/07/348673207.db2.gz PPCMDURMQWVROI-KBAYOESNSA-N 0 3 296.418 2.540 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)CCCCCC#N ZINC000588639916 348789833 /nfs/dbraw/zinc/78/98/33/348789833.db2.gz ABKMFEFOZKKPCJ-AWEZNQCLSA-N 0 3 267.417 2.553 20 30 CFEDHN CO[C@H](C)CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586787045 348752154 /nfs/dbraw/zinc/75/21/54/348752154.db2.gz AVLZBKMNRCIRDH-CYBMUJFWSA-N 0 3 260.381 2.954 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000586793453 348753275 /nfs/dbraw/zinc/75/32/75/348753275.db2.gz DMLBPPKJIXFKSU-HOSYDEDBSA-N 0 3 271.320 2.876 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC(C2CC2)C1 ZINC000589990558 348868245 /nfs/dbraw/zinc/86/82/45/348868245.db2.gz BKRSDEQSIIEETN-OAHLLOKOSA-N 0 3 268.360 2.627 20 30 CFEDHN C[C@H](NCc1ccnc(C#N)c1)[C@H]1OCCc2sccc21 ZINC000590024797 348870029 /nfs/dbraw/zinc/87/00/29/348870029.db2.gz NERCUHOPYBHXPS-MEDUHNTESA-N 0 3 299.399 2.807 20 30 CFEDHN Cc1nccc([C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC000590154592 348879873 /nfs/dbraw/zinc/87/98/73/348879873.db2.gz KQGQPLCHABQURQ-ZNMIVQPWSA-N 0 3 270.380 2.657 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(c3cccnc3)CC2)C1 ZINC000590168671 348881983 /nfs/dbraw/zinc/88/19/83/348881983.db2.gz PHJZVZNRRIUWHS-CJNGLKHVSA-N 0 3 255.365 2.953 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756639 348943793 /nfs/dbraw/zinc/94/37/93/348943793.db2.gz JURGSFHPTZAFOK-CABCVRRESA-N 0 3 273.380 2.635 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757619 348943946 /nfs/dbraw/zinc/94/39/46/348943946.db2.gz NTWHPJIRESJZTP-ZBFHGGJFSA-N 0 3 290.363 2.711 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000590645652 348920412 /nfs/dbraw/zinc/92/04/12/348920412.db2.gz PMFMKJGMFFSNLT-YABSGUDNSA-N 0 3 262.328 2.743 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cn3cccc(F)c3n2)C1 ZINC000590656432 348921981 /nfs/dbraw/zinc/92/19/81/348921981.db2.gz IPIIKRHSEGDYPK-RYUDHWBXSA-N 0 3 272.327 2.645 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@@H](C)O1 ZINC000590653562 348921996 /nfs/dbraw/zinc/92/19/96/348921996.db2.gz NMPYRHNADCYKPB-GPCCPHFNSA-N 0 3 264.756 2.867 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CC1(F)F ZINC000591266089 349005411 /nfs/dbraw/zinc/00/54/11/349005411.db2.gz ZSJLZUSGLPZNHI-KCJUWKMLSA-N 0 3 254.255 2.831 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H]1CC1(F)F ZINC000591266088 349005636 /nfs/dbraw/zinc/00/56/36/349005636.db2.gz ZSJLZUSGLPZNHI-GZMMTYOYSA-N 0 3 254.255 2.831 20 30 CFEDHN CC(C)C[C@H](C#N)NC(=O)C[C@@H](c1ccccc1)N(C)C ZINC000591317413 349008628 /nfs/dbraw/zinc/00/86/28/349008628.db2.gz IROSCDQAKDCVLC-CVEARBPZSA-N 0 3 287.407 2.734 20 30 CFEDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591477623 349026575 /nfs/dbraw/zinc/02/65/75/349026575.db2.gz MTSOGENWCJSVRY-CZUORRHYSA-N 0 3 272.392 2.833 20 30 CFEDHN CCc1ccc2nccc(N3CC[C@@](O)(CC#N)C3)c2c1 ZINC000591975891 349068647 /nfs/dbraw/zinc/06/86/47/349068647.db2.gz UYYUXQMBGSHQCM-KRWDZBQOSA-N 0 3 281.359 2.652 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccncc2C#N)[C@@H](C)[C@H]1OC ZINC000592114163 349085370 /nfs/dbraw/zinc/08/53/70/349085370.db2.gz VNENGQOEYWWKOL-DAXOMENPSA-N 0 3 287.407 2.883 20 30 CFEDHN C[C@H](CCSc1ccccc1)N1CC[C@](O)(CC#N)C1 ZINC000592151469 349091141 /nfs/dbraw/zinc/09/11/41/349091141.db2.gz MGRPSHYCUWPDQO-GDBMZVCRSA-N 0 3 290.432 2.908 20 30 CFEDHN C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@](O)(CC#N)C1 ZINC000592152775 349092432 /nfs/dbraw/zinc/09/24/32/349092432.db2.gz CXNMKNACSLTXRB-SUMWQHHRSA-N 0 3 270.376 2.587 20 30 CFEDHN CCN(CCC#N)C(=O)CNC1(c2ccc(C)cc2)CCC1 ZINC000592189871 349097450 /nfs/dbraw/zinc/09/74/50/349097450.db2.gz YIFOXFPRVULXKO-UHFFFAOYSA-N 0 3 299.418 2.726 20 30 CFEDHN CCN(CCOc1ccc(C#N)cc1)CCSC ZINC000592198085 349098116 /nfs/dbraw/zinc/09/81/16/349098116.db2.gz IMZGXSUTFFEEMW-UHFFFAOYSA-N 0 3 264.394 2.622 20 30 CFEDHN CCN(CCSC)Cc1ccc(C#N)cc1OC ZINC000592201367 349099890 /nfs/dbraw/zinc/09/98/90/349099890.db2.gz GDPFBDZLTMGGNX-UHFFFAOYSA-N 0 3 264.394 2.752 20 30 CFEDHN Cc1ccc(-c2nn(C)cc2CNCC2(CC#N)CC2)o1 ZINC000592366565 349110313 /nfs/dbraw/zinc/11/03/13/349110313.db2.gz CGGRYPDUXBPGNF-UHFFFAOYSA-N 0 3 284.363 2.772 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H](CCO)c2ccccc2F)C1 ZINC000592403548 349117005 /nfs/dbraw/zinc/11/70/05/349117005.db2.gz OKHPYMZPTJFKAN-WWGRRREGSA-N 0 3 276.355 2.921 20 30 CFEDHN CC(C)C1(C)CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592507904 349129563 /nfs/dbraw/zinc/12/95/63/349129563.db2.gz HEJZRWWKCCAANC-UHFFFAOYSA-N 0 3 297.406 2.859 20 30 CFEDHN C[C@H](CCN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592522288 349132875 /nfs/dbraw/zinc/13/28/75/349132875.db2.gz KPRDJPNCXNFWSC-ZBFHGGJFSA-N 0 3 258.365 2.531 20 30 CFEDHN Cc1cccc(C2(NC(=O)[C@H](N)CCCC#N)CCC2)c1 ZINC000592566927 349138545 /nfs/dbraw/zinc/13/85/45/349138545.db2.gz DZLCAAGMNNTNDD-OAHLLOKOSA-N 0 3 285.391 2.512 20 30 CFEDHN CCN(CCSC)C(=O)C(C#N)CCc1ccccc1 ZINC000592917828 349176525 /nfs/dbraw/zinc/17/65/25/349176525.db2.gz MJLBBNRGFUGOHK-HNNXBMFYSA-N 0 3 290.432 2.970 20 30 CFEDHN C[C@H]1[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000593036226 349191152 /nfs/dbraw/zinc/19/11/52/349191152.db2.gz QVMPRQFXECZWTR-IJLUTSLNSA-N 0 3 273.336 2.943 20 30 CFEDHN C[C@]1(c2cccc(F)c2)CCN(CCOCCC#N)C1 ZINC000593040849 349192684 /nfs/dbraw/zinc/19/26/84/349192684.db2.gz MYGFJYQLMWHBLP-INIZCTEOSA-N 0 3 276.355 2.719 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C2(O)CC2)CC1 ZINC000593048614 349194092 /nfs/dbraw/zinc/19/40/92/349194092.db2.gz DMWPEVCYAVPFAD-CYBMUJFWSA-N 0 3 270.376 2.856 20 30 CFEDHN N#Cc1cc(CN2CCC3(CC2)C(F)(F)C3(F)F)ccn1 ZINC000593054816 349196066 /nfs/dbraw/zinc/19/60/66/349196066.db2.gz LPUNZRVDWRBRFU-UHFFFAOYSA-N 0 3 299.271 2.820 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000593640381 349303053 /nfs/dbraw/zinc/30/30/53/349303053.db2.gz FVUYKKYIMZOORX-SQWLQELKSA-N 0 3 287.407 2.652 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)[C@H](C#N)CC)N(C)C)cc1 ZINC000593390923 349258985 /nfs/dbraw/zinc/25/89/85/349258985.db2.gz HTZZCLNSILTISS-GOEBONIOSA-N 0 3 287.407 2.518 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000593497437 349285286 /nfs/dbraw/zinc/28/52/86/349285286.db2.gz DATPTJUCXFJCBX-KBMXLJTQSA-N 0 3 281.359 2.835 20 30 CFEDHN CC[C@H](C#N)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000593502905 349285678 /nfs/dbraw/zinc/28/56/78/349285678.db2.gz FDJFXMRWRNOOPL-CYBMUJFWSA-N 0 3 259.353 2.545 20 30 CFEDHN COc1ccc(C[C@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000593829588 349330196 /nfs/dbraw/zinc/33/01/96/349330196.db2.gz UJCSRSIXACIVNI-DZGCQCFKSA-N 0 3 286.375 2.778 20 30 CFEDHN CCC(C#N)C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593848048 349331588 /nfs/dbraw/zinc/33/15/88/349331588.db2.gz WSYWUHPBDARINC-CHWSQXEVSA-N 0 3 294.395 2.649 20 30 CFEDHN CC[C@H](CNC1(c2ccc(C#N)cc2)CCC1)OC ZINC000594035034 349358038 /nfs/dbraw/zinc/35/80/38/349358038.db2.gz JTLLZIOXYLJJOC-OAHLLOKOSA-N 0 3 258.365 2.952 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccc(C#N)cn1 ZINC000593965320 349341399 /nfs/dbraw/zinc/34/13/99/349341399.db2.gz DEGGKHDEEMEJFP-HZPDHXFCSA-N 0 3 287.407 2.979 20 30 CFEDHN N#CCCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000593979197 349344222 /nfs/dbraw/zinc/34/42/22/349344222.db2.gz SSEWTDUZPMMWGY-QGZVFWFLSA-N 0 3 299.418 2.851 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCC#N ZINC000594004790 349351330 /nfs/dbraw/zinc/35/13/30/349351330.db2.gz CXFUSDKBWJNWCX-RDJZCZTQSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCCC#N ZINC000594004789 349351402 /nfs/dbraw/zinc/35/14/02/349351402.db2.gz CXFUSDKBWJNWCX-NVXWUHKLSA-N 0 3 299.418 2.707 20 30 CFEDHN CC[C@@H](CC#N)NCC1CCN(C(=O)C(C)(C)C)CC1 ZINC000594006562 349352062 /nfs/dbraw/zinc/35/20/62/349352062.db2.gz HSZHBTLCQMYNNL-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN N#CC1(CNC2CCN(Cc3ccccn3)CC2)CCCC1 ZINC000593653100 349304687 /nfs/dbraw/zinc/30/46/87/349304687.db2.gz BTHRAZLIOXMUCP-UHFFFAOYSA-N 0 3 298.434 2.720 20 30 CFEDHN CCN(Cc1cc(C#N)cs1)[C@@H]1CCCOC1 ZINC000593674070 349307680 /nfs/dbraw/zinc/30/76/80/349307680.db2.gz MTXOVQHKYINZPN-GFCCVEGCSA-N 0 3 250.367 2.621 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H](CO)CCF ZINC000593719426 349314848 /nfs/dbraw/zinc/31/48/48/349314848.db2.gz XVXYITUZBPZLQB-GDBMZVCRSA-N 0 3 276.355 2.636 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000593738900 349317935 /nfs/dbraw/zinc/31/79/35/349317935.db2.gz NQDNWKLEIVACCC-AWEZNQCLSA-N 0 3 293.455 2.895 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000593738901 349318178 /nfs/dbraw/zinc/31/81/78/349318178.db2.gz NQDNWKLEIVACCC-CQSZACIVSA-N 0 3 293.455 2.895 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccccc2Cl)CCC1 ZINC000593754652 349321271 /nfs/dbraw/zinc/32/12/71/349321271.db2.gz GWFBYBPEYAVTMX-SNVBAGLBSA-N 0 3 262.740 2.995 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)CSc1ccccc1 ZINC000593760380 349322124 /nfs/dbraw/zinc/32/21/24/349322124.db2.gz BKALKJXJIAWZJM-NWDGAFQWSA-N 0 3 262.378 2.785 20 30 CFEDHN CC(C#N)C(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC000593767276 349322635 /nfs/dbraw/zinc/32/26/35/349322635.db2.gz KEYPLYOHBWQKLE-LBPRGKRZSA-N 0 3 280.327 2.991 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)CCCCC#N)CN1Cc1ccccc1 ZINC000594317708 349406511 /nfs/dbraw/zinc/40/65/11/349406511.db2.gz FFFLGBKDTGXTLI-RDJZCZTQSA-N 0 3 299.418 2.850 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)CCCCC#N)CN1Cc1ccccc1 ZINC000594317709 349406720 /nfs/dbraw/zinc/40/67/20/349406720.db2.gz FFFLGBKDTGXTLI-WBVHZDCISA-N 0 3 299.418 2.850 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000594317138 349406774 /nfs/dbraw/zinc/40/67/74/349406774.db2.gz LUVVLLYGSLJAST-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN CC[C@@H](NCc1ccccc1C#N)[C@@H]1CCCCO1 ZINC000594040156 349359663 /nfs/dbraw/zinc/35/96/63/349359663.db2.gz DSDCYZLNFIYIFG-CVEARBPZSA-N 0 3 258.365 2.996 20 30 CFEDHN CC[C@H](NCc1ccccc1C#N)[C@@H]1CCCCO1 ZINC000594040157 349360038 /nfs/dbraw/zinc/36/00/38/349360038.db2.gz DSDCYZLNFIYIFG-HOTGVXAUSA-N 0 3 258.365 2.996 20 30 CFEDHN CO[C@@H](C)c1cccc(NC(=O)[C@H](N)CCCCC#N)c1 ZINC000594437385 349422511 /nfs/dbraw/zinc/42/25/11/349422511.db2.gz LQPGELHIIFINSY-SWLSCSKDSA-N 0 3 289.379 2.744 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCc2ccc(Cl)cc21 ZINC000594440817 349422699 /nfs/dbraw/zinc/42/26/99/349422699.db2.gz ZZBHOQPGQJXSDX-CYBMUJFWSA-N 0 3 291.782 2.640 20 30 CFEDHN CC(C)(NC(=O)[C@@H](N)CCCCC#N)c1cccs1 ZINC000594443422 349423461 /nfs/dbraw/zinc/42/34/61/349423461.db2.gz HHZWTMNOKUITPS-NSHDSACASA-N 0 3 279.409 2.511 20 30 CFEDHN Cc1ccc(C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594445020 349423597 /nfs/dbraw/zinc/42/35/97/349423597.db2.gz NUNJIADPBPJJFO-RISCZKNCSA-N 0 3 293.436 2.515 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000594443404 349423950 /nfs/dbraw/zinc/42/39/50/349423950.db2.gz GWIRKNAAYGRAJU-SJORKVTESA-N 0 3 299.418 2.535 20 30 CFEDHN CC[C@@H]1CCCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594446268 349424214 /nfs/dbraw/zinc/42/42/14/349424214.db2.gz RPEABGJQLZLYTA-ZIAGYGMSSA-N 0 3 265.401 2.579 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000594448031 349424719 /nfs/dbraw/zinc/42/47/19/349424719.db2.gz YOOPVWIRFJVRGN-ZDUSSCGKSA-N 0 3 291.782 2.640 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000594449544 349425636 /nfs/dbraw/zinc/42/56/36/349425636.db2.gz JSJZGDGQMGEGPQ-DOTOQJQBSA-N 0 3 289.423 2.747 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H]1CC1CCCC1 ZINC000594457291 349426163 /nfs/dbraw/zinc/42/61/63/349426163.db2.gz YWDYSHIRERGQLA-GJZGRUSLSA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)C1(C)CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594457381 349426212 /nfs/dbraw/zinc/42/62/12/349426212.db2.gz ZGLBDNAXGBHBDM-CQSZACIVSA-N 0 3 279.428 2.682 20 30 CFEDHN C=CCOCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594498893 349431332 /nfs/dbraw/zinc/43/13/32/349431332.db2.gz CMOZLLPDALNLFA-UHFFFAOYSA-N 0 3 258.365 2.780 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000596999289 350014190 /nfs/dbraw/zinc/01/41/90/350014190.db2.gz VAYMKJLUMUQQRF-CQSZACIVSA-N 0 3 270.376 2.853 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1Cl ZINC000597120626 350032767 /nfs/dbraw/zinc/03/27/67/350032767.db2.gz IBMUONAJGLBWLY-ZFWWWQNUSA-N 0 3 276.767 2.869 20 30 CFEDHN CC[C@H](CC#N)N[C@H](C)CC(C)(C)CC(=O)OC ZINC000597088017 350029348 /nfs/dbraw/zinc/02/93/48/350029348.db2.gz XSEYNAKXTUDBRM-VXGBXAGGSA-N 0 3 254.374 2.636 20 30 CFEDHN CCC(C)(C)N1CCN(C(=O)CCCCCC#N)CC1 ZINC000594389493 349413332 /nfs/dbraw/zinc/41/33/32/349413332.db2.gz KBPLKEAAQRHABJ-UHFFFAOYSA-N 0 3 279.428 2.793 20 30 CFEDHN CCc1csc(CC2CCN(C(=O)C(C)C#N)CC2)n1 ZINC000594383357 349413686 /nfs/dbraw/zinc/41/36/86/349413686.db2.gz GRINZLILHCGZQA-LLVKDONJSA-N 0 3 291.420 2.646 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594404957 349415098 /nfs/dbraw/zinc/41/50/98/349415098.db2.gz UREKTWOSTCNJPE-VIFPVBQESA-N 0 3 298.264 2.850 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000594424357 349416781 /nfs/dbraw/zinc/41/67/81/349416781.db2.gz BLVUDOHERMTWCX-JKSUJKDBSA-N 0 3 285.391 2.591 20 30 CFEDHN CN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CCCCC#N ZINC000594425320 349417028 /nfs/dbraw/zinc/41/70/28/349417028.db2.gz HKZUGWQPVINYEW-LLVKDONJSA-N 0 3 299.827 2.771 20 30 CFEDHN CSc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594424950 349417143 /nfs/dbraw/zinc/41/71/43/349417143.db2.gz FCGALMNUQMAGCB-ZDUSSCGKSA-N 0 3 277.393 2.758 20 30 CFEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCc2ccccc21 ZINC000594426521 349417580 /nfs/dbraw/zinc/41/75/80/349417580.db2.gz DQFHLPJQBHQWGA-HZPDHXFCSA-N 0 3 285.391 2.544 20 30 CFEDHN CCc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594426195 349417727 /nfs/dbraw/zinc/41/77/27/349417727.db2.gz PWBWHWSMUMCRBB-CYBMUJFWSA-N 0 3 259.353 2.599 20 30 CFEDHN C[C@@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCCC#N ZINC000594425705 349418002 /nfs/dbraw/zinc/41/80/02/349418002.db2.gz LWSJOIQAEDIYDH-DGCLKSJQSA-N 0 3 291.420 2.605 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000594426375 349418080 /nfs/dbraw/zinc/41/80/80/349418080.db2.gz OUYBREUKPCDDIT-LBPRGKRZSA-N 0 3 283.734 2.829 20 30 CFEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCCc2ccccc21 ZINC000594427564 349418427 /nfs/dbraw/zinc/41/84/27/349418427.db2.gz VJOFWWBTEZHBNS-IAGOWNOFSA-N 0 3 299.418 2.934 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2[nH]ccc21 ZINC000594428978 349419385 /nfs/dbraw/zinc/41/93/85/349419385.db2.gz PXLOAIICRAMCQA-LBPRGKRZSA-N 0 3 270.336 2.518 20 30 CFEDHN Cc1ccccc1[C@H](C)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594428827 349419787 /nfs/dbraw/zinc/41/97/87/349419787.db2.gz OYTTXCXURHDFGQ-GOEBONIOSA-N 0 3 287.407 2.926 20 30 CFEDHN CC(C)Oc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594428838 349419848 /nfs/dbraw/zinc/41/98/48/349419848.db2.gz NXXZBVMBKGXKFT-HNNXBMFYSA-N 0 3 289.379 2.824 20 30 CFEDHN CC1(C)CN(C(=O)[C@H](N)CCCCC#N)c2ccccc21 ZINC000594432460 349420429 /nfs/dbraw/zinc/42/04/29/349420429.db2.gz AOVHEJVGBVYSOF-CQSZACIVSA-N 0 3 285.391 2.722 20 30 CFEDHN CC(C)(C)C[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594431285 349420678 /nfs/dbraw/zinc/42/06/78/349420678.db2.gz KYHLKLOKKTVTFZ-UONOGXRCSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000594435738 349421654 /nfs/dbraw/zinc/42/16/54/349421654.db2.gz JOHVQLFGVCLLQT-CHWSQXEVSA-N 0 3 291.420 2.653 20 30 CFEDHN CCCNc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594435717 349421700 /nfs/dbraw/zinc/42/17/00/349421700.db2.gz ITWZZNLJPGYOOE-ZDUSSCGKSA-N 0 3 288.395 2.858 20 30 CFEDHN CCOCc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594435087 349421817 /nfs/dbraw/zinc/42/18/17/349421817.db2.gz AKYQDHISUBOYHS-HNNXBMFYSA-N 0 3 289.379 2.573 20 30 CFEDHN CC(C)CC(CC(C)C)NC(=O)[C@@H](N)CCCCC#N ZINC000594434107 349421861 /nfs/dbraw/zinc/42/18/61/349421861.db2.gz KWLFVLXGGZFRDY-HNNXBMFYSA-N 0 3 281.444 2.975 20 30 CFEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCOC1 ZINC000597127398 350033345 /nfs/dbraw/zinc/03/33/45/350033345.db2.gz GFGFQBDRRYWJSC-INIZCTEOSA-N 0 3 270.376 2.853 20 30 CFEDHN C[C@H](CC#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000597131582 350035389 /nfs/dbraw/zinc/03/53/89/350035389.db2.gz AVWWYAGIOCMBOE-KGLIPLIRSA-N 0 3 287.407 2.782 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000597173625 350044102 /nfs/dbraw/zinc/04/41/02/350044102.db2.gz LGXDKQPZWLXJLR-CQSZACIVSA-N 0 3 297.402 2.704 20 30 CFEDHN COCCOc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000597175128 350044473 /nfs/dbraw/zinc/04/44/73/350044473.db2.gz XDRKFFZRPCFJHB-HNNXBMFYSA-N 0 3 288.391 2.837 20 30 CFEDHN C=CCOCCCNCc1cc(C(=O)OC)ccc1Cl ZINC000597210576 350056672 /nfs/dbraw/zinc/05/66/72/350056672.db2.gz SECHEXIARMEJKU-UHFFFAOYSA-N 0 3 297.782 2.809 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)o1 ZINC000597225075 350063083 /nfs/dbraw/zinc/06/30/83/350063083.db2.gz NAVRECNMLFPHOF-XJKSGUPXSA-N 0 3 274.364 2.932 20 30 CFEDHN N#Cc1cnn2cc(CN3CCC[C@H](C4CCC4)C3)cnc12 ZINC000597227276 350063087 /nfs/dbraw/zinc/06/30/87/350063087.db2.gz CGTKKAFMHAJDQO-HNNXBMFYSA-N 0 3 295.390 2.613 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000090884046 180052956 /nfs/dbraw/zinc/05/29/56/180052956.db2.gz XLXUKAZILNGDGG-ZDUSSCGKSA-N 0 3 251.374 2.707 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cc(OC)ccc1OC ZINC000090883845 180053088 /nfs/dbraw/zinc/05/30/88/180053088.db2.gz RHOVYZBEHJOTLF-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc(CC#N)cc1 ZINC000598261397 350225972 /nfs/dbraw/zinc/22/59/72/350225972.db2.gz FDAHNVHSSOTWAB-HNNXBMFYSA-N 0 3 299.418 2.603 20 30 CFEDHN C=CCCSCCNCc1cncc(OCC)c1 ZINC000598651473 350303104 /nfs/dbraw/zinc/30/31/04/350303104.db2.gz TVWYSTRBUNSIFE-UHFFFAOYSA-N 0 3 266.410 2.879 20 30 CFEDHN Cc1cccc2c1OCC[C@H]2NC[C@H](O)CC(C)(C)C#N ZINC000598723321 350318690 /nfs/dbraw/zinc/31/86/90/350318690.db2.gz GJZUUOHOBGJTEV-UKRRQHHQSA-N 0 3 288.391 2.709 20 30 CFEDHN CC(C)(C)c1ccncc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598726760 350320263 /nfs/dbraw/zinc/32/02/63/350320263.db2.gz AWAKFGAURWRLML-AWEZNQCLSA-N 0 3 289.423 2.769 20 30 CFEDHN CC(C)N(Cc1ccccn1)C[C@H](O)CC(C)(C)C#N ZINC000598586464 350286358 /nfs/dbraw/zinc/28/63/58/350286358.db2.gz VUFNMOWJXWSHDE-OAHLLOKOSA-N 0 3 275.396 2.593 20 30 CFEDHN C[C@@H]1c2ccccc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598590473 350287254 /nfs/dbraw/zinc/28/72/54/350287254.db2.gz ZGUDXXWNDXRMOH-HIFRSBDPSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598587961 350287434 /nfs/dbraw/zinc/28/74/34/350287434.db2.gz XZUOCCIAZOEBNO-KRWDZBQOSA-N 0 3 297.402 2.847 20 30 CFEDHN C[C@@H]1c2ccsc2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000598588007 350287660 /nfs/dbraw/zinc/28/76/60/350287660.db2.gz WZNQXOIRIKYQQD-NEPJUHHUSA-N 0 3 278.421 2.968 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598594237 350289371 /nfs/dbraw/zinc/28/93/71/350289371.db2.gz ZZOKJULYVAJDPQ-GOEBONIOSA-N 0 3 287.407 2.828 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000598599789 350290932 /nfs/dbraw/zinc/29/09/32/350290932.db2.gz FIYMTVAZNXFICS-RISCZKNCSA-N 0 3 291.351 2.546 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)c(F)c1 ZINC000598599932 350290993 /nfs/dbraw/zinc/29/09/93/350290993.db2.gz LKBVNUZYHFIVQQ-JQWIXIFHSA-N 0 3 282.334 2.916 20 30 CFEDHN COc1cccc([C@H](C)NC[C@H](O)CC(C)(C)C#N)c1 ZINC000598600201 350291110 /nfs/dbraw/zinc/29/11/10/350291110.db2.gz ICWUMJJHLPFVJA-GXTWGEPZSA-N 0 3 276.380 2.647 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNC(C)(C)c1cccc(F)c1 ZINC000598599839 350291127 /nfs/dbraw/zinc/29/11/27/350291127.db2.gz GOOVZFXFCOSEPL-AWEZNQCLSA-N 0 3 278.371 2.951 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000598599787 350291345 /nfs/dbraw/zinc/29/13/45/350291345.db2.gz FIYMTVAZNXFICS-BXUZGUMPSA-N 0 3 291.351 2.546 20 30 CFEDHN C[C@@H]1C[C@@H](c2cccnc2)N(C[C@H](O)CC(C)(C)C#N)C1 ZINC000598604381 350291928 /nfs/dbraw/zinc/29/19/28/350291928.db2.gz MIZHNENYPBHXRF-BMFZPTHFSA-N 0 3 287.407 2.765 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000598615813 350293309 /nfs/dbraw/zinc/29/33/09/350293309.db2.gz LKLNNJCSEXAFQN-WDEREUQCSA-N 0 3 292.345 2.950 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H](c2ccccn2)C1 ZINC000598618819 350294598 /nfs/dbraw/zinc/29/45/98/350294598.db2.gz RGGXMCDTJOGHTP-HUUCEWRRSA-N 0 3 287.407 2.562 20 30 CFEDHN COCC#CCN(C)CCCc1cc(-c2ccccc2)no1 ZINC000677818884 539793430 /nfs/dbraw/zinc/79/34/30/539793430.db2.gz XTJIPITUGSOCEE-UHFFFAOYSA-N 0 3 298.386 2.856 20 30 CFEDHN CN1Cc2ccccc2[C@H](NC2CCC(C)(C#N)CC2)C1=O ZINC000598938567 350347429 /nfs/dbraw/zinc/34/74/29/350347429.db2.gz DWEZVZJCRHMCOP-HQVVEAJESA-N 0 3 297.402 2.762 20 30 CFEDHN Cc1cc(CN[C@@H](CO)CCC(C)C)ccc1C#N ZINC000598990253 350355491 /nfs/dbraw/zinc/35/54/91/350355491.db2.gz AWHWMXPMTHIUOD-MRXNPFEDSA-N 0 3 260.381 2.753 20 30 CFEDHN Cc1cccc2c1C[C@H](N[C@@H]1CC[C@@H](C#N)C1)CO2 ZINC000599066805 350368793 /nfs/dbraw/zinc/36/87/93/350368793.db2.gz ZMZAEKUPBAPYEM-MCIONIFRSA-N 0 3 256.349 2.580 20 30 CFEDHN CCN(Cc1ccc(C)c(C#N)c1)C[C@H]1CCCO1 ZINC000599277722 350404896 /nfs/dbraw/zinc/40/48/96/350404896.db2.gz SITWZDJTBCLHCH-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000599065229 350368982 /nfs/dbraw/zinc/36/89/82/350368982.db2.gz JBKDGJVCTAQWAI-KGLIPLIRSA-N 0 3 279.428 2.695 20 30 CFEDHN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000599085111 350373658 /nfs/dbraw/zinc/37/36/58/350373658.db2.gz MOKTWRLEJIXRDY-FSBGKCOPSA-N 0 3 274.339 2.915 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1C#N ZINC000599267660 350402769 /nfs/dbraw/zinc/40/27/69/350402769.db2.gz XXVLMQRNHOKOGR-OAHLLOKOSA-N 0 3 280.375 2.969 20 30 CFEDHN CCOC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599268550 350402821 /nfs/dbraw/zinc/40/28/21/350402821.db2.gz GRFKMOVVZYJVHY-UHFFFAOYSA-N 0 3 258.365 2.868 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(C)c(C#N)c2)C1 ZINC000599418647 350433794 /nfs/dbraw/zinc/43/37/94/350433794.db2.gz ICTMJSJDLWCXSJ-UHFFFAOYSA-N 0 3 258.365 2.866 20 30 CFEDHN COC(=O)CCN(Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599293458 350408305 /nfs/dbraw/zinc/40/83/05/350408305.db2.gz SLUWJEFVQGPSBJ-UHFFFAOYSA-N 0 3 274.364 2.640 20 30 CFEDHN CCC[C@@H](C)CCCN1CCN(CCC#N)CC1 ZINC000599336455 350417728 /nfs/dbraw/zinc/41/77/28/350417728.db2.gz KYAYJGIBGWLBRZ-OAHLLOKOSA-N 0 3 251.418 2.734 20 30 CFEDHN Cc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1C#N ZINC000599341590 350418604 /nfs/dbraw/zinc/41/86/04/350418604.db2.gz KZCLKJQYPKBZDO-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599344898 350419856 /nfs/dbraw/zinc/41/98/56/350419856.db2.gz KDAJYMVRYVANMX-PWSUYJOCSA-N 0 3 280.318 2.670 20 30 CFEDHN COc1ccc(F)cc1[C@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599350865 350420326 /nfs/dbraw/zinc/42/03/26/350420326.db2.gz VHXXWVFHJCQYBL-AAEUAGOBSA-N 0 3 292.354 2.540 20 30 CFEDHN CCOc1cccc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)c1 ZINC000599349693 350420699 /nfs/dbraw/zinc/42/06/99/350420699.db2.gz QHRNWEPUNSQBIS-UKRRQHHQSA-N 0 3 288.391 2.791 20 30 CFEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1cccc(F)c1F ZINC000599352554 350421346 /nfs/dbraw/zinc/42/13/46/350421346.db2.gz CUCYLJMIJICCNG-GHMZBOCLSA-N 0 3 280.318 2.670 20 30 CFEDHN Cc1ccc(CN2CCC(CC(=O)N(C)C)CC2)cc1C#N ZINC000599357407 350422265 /nfs/dbraw/zinc/42/22/65/350422265.db2.gz QNUZLRHGLNWRGN-UHFFFAOYSA-N 0 3 299.418 2.557 20 30 CFEDHN Cc1ccc(CN2CC(C)(C)CC[C@H]2CO)cc1C#N ZINC000599491991 350444999 /nfs/dbraw/zinc/44/49/99/350444999.db2.gz ZVRGRIBUFGIVSI-INIZCTEOSA-N 0 3 272.392 2.850 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000599526693 350450408 /nfs/dbraw/zinc/45/04/08/350450408.db2.gz PMVWIXMOJSRNIS-LBPRGKRZSA-N 0 3 263.337 2.773 20 30 CFEDHN C=CC[C@H]1CCN(Cc2csc(C(=O)OC)c2)C1 ZINC000599529278 350451706 /nfs/dbraw/zinc/45/17/06/350451706.db2.gz LOMYXAGEBDOKKS-NSHDSACASA-N 0 3 265.378 2.933 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553495 350455772 /nfs/dbraw/zinc/45/57/72/350455772.db2.gz XDLXQUYGXAHGKV-CVEARBPZSA-N 0 3 288.416 2.907 20 30 CFEDHN C=CCN(Cc1ccc(C)c(C#N)c1)[C@H](C)COC ZINC000599462114 350441758 /nfs/dbraw/zinc/44/17/58/350441758.db2.gz MXZXAJAQCIASDI-CQSZACIVSA-N 0 3 258.365 2.890 20 30 CFEDHN Cc1ccc(CN(C)[C@@H](CO)Cc2ccccc2)cc1C#N ZINC000599469968 350442095 /nfs/dbraw/zinc/44/20/95/350442095.db2.gz NMDPGSFLGFUAAM-LJQANCHMSA-N 0 3 294.398 2.902 20 30 CFEDHN CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1cc(C)ccc1C ZINC000599646078 350471334 /nfs/dbraw/zinc/47/13/34/350471334.db2.gz SUPQFWNUVOBNSL-MRXNPFEDSA-N 0 3 299.418 2.907 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@](C)(OC)C1CC1 ZINC000291064834 197905379 /nfs/dbraw/zinc/90/53/79/197905379.db2.gz QCOVDUGLTLTDEN-QGZVFWFLSA-N 0 3 273.376 2.603 20 30 CFEDHN C/C=C/C[C@@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000599691178 350484093 /nfs/dbraw/zinc/48/40/93/350484093.db2.gz QXIKDJMIUSXTRD-INCBCAAFSA-N 0 3 291.439 2.673 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600186079 350534348 /nfs/dbraw/zinc/53/43/48/350534348.db2.gz OJPJSKAKZRJVOE-ZYHUDNBSSA-N 0 3 278.302 2.830 20 30 CFEDHN CSc1cc(C)ccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600732082 350602991 /nfs/dbraw/zinc/60/29/91/350602991.db2.gz WRIOHEYNWBELIY-CQSZACIVSA-N 0 3 290.432 2.861 20 30 CFEDHN Cn1ccc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000335183281 282711694 /nfs/dbraw/zinc/71/16/94/282711694.db2.gz OMECYMOGZJVWLT-INIZCTEOSA-N 0 3 251.333 2.674 20 30 CFEDHN N#CC1(C[C@@H](O)CN[C@@H]2CCCOc3ccccc32)CC1 ZINC000600722914 350601424 /nfs/dbraw/zinc/60/14/24/350601424.db2.gz KPMGKYWLBJANGB-UKRRQHHQSA-N 0 3 286.375 2.545 20 30 CFEDHN N#Cc1ccccc1CN1CCCc2cccc(CN)c21 ZINC000600722865 350601746 /nfs/dbraw/zinc/60/17/46/350601746.db2.gz RLSXXVXZPWCCHU-UHFFFAOYSA-N 0 3 277.371 2.970 20 30 CFEDHN N#Cc1ccc(-c2cccc([C@@H]3CNCCO3)c2)s1 ZINC000600776536 350609004 /nfs/dbraw/zinc/60/90/04/350609004.db2.gz NYDBOIJWWLBHPT-AWEZNQCLSA-N 0 3 270.357 2.948 20 30 CFEDHN COc1ccc(-c2cccc([C@@H]3CNCCO3)c2)cc1C#N ZINC000600788726 350611911 /nfs/dbraw/zinc/61/19/11/350611911.db2.gz MCQMVHVXFIQAPN-SFHVURJKSA-N 0 3 294.354 2.895 20 30 CFEDHN CCN1CCCN(C(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000601228998 350703248 /nfs/dbraw/zinc/70/32/48/350703248.db2.gz BQXIYJHXOBWZEH-ZDUSSCGKSA-N 0 3 286.379 2.506 20 30 CFEDHN CCc1cc(N2CCN(CCC#N)CC2)c2ccccc2n1 ZINC000601262214 350711538 /nfs/dbraw/zinc/71/15/38/350711538.db2.gz YATDBPPVODBLOC-UHFFFAOYSA-N 0 3 294.402 2.833 20 30 CFEDHN CCOC(=O)C1(C)CC(N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000601265674 350712516 /nfs/dbraw/zinc/71/25/16/350712516.db2.gz AUPPKUNXVGUQLH-VWDMACCTSA-N 0 3 286.375 2.941 20 30 CFEDHN CN(C)CCSc1ncc(C#N)c2ccsc21 ZINC000601127210 350675868 /nfs/dbraw/zinc/67/58/68/350675868.db2.gz BRVQSMJIDVFVRD-UHFFFAOYSA-N 0 3 263.391 2.822 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ncc(C#N)c4ccsc43)[C@@H]2C1 ZINC000601139526 350679547 /nfs/dbraw/zinc/67/95/47/350679547.db2.gz DVUIZKJFICAORW-BXUZGUMPSA-N 0 3 298.415 2.698 20 30 CFEDHN C[C@H](Nc1ncc(C#N)c2ccsc21)C1=CCN(C)CC1 ZINC000601139724 350679822 /nfs/dbraw/zinc/67/98/22/350679822.db2.gz MNDWDRUHTVZBRX-NSHDSACASA-N 0 3 298.415 2.652 20 30 CFEDHN CC(C)N(CCN(C)C)c1ncc(C#N)c2ccsc21 ZINC000601144744 350681219 /nfs/dbraw/zinc/68/12/19/350681219.db2.gz WGQLTSCPKXXIFI-UHFFFAOYSA-N 0 3 288.420 2.944 20 30 CFEDHN CC(C#N)C(=O)NCc1ccsc1C(F)(F)F ZINC000601690205 350760638 /nfs/dbraw/zinc/76/06/38/350760638.db2.gz XSFXAZYXASDVGH-ZCFIWIBFSA-N 0 3 262.256 2.543 20 30 CFEDHN C[C@@H](C#N)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000601726093 350769037 /nfs/dbraw/zinc/76/90/37/350769037.db2.gz FQCIISDYNAAZOX-RDJZCZTQSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@@H]1CC(NCc2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000602014839 350832148 /nfs/dbraw/zinc/83/21/48/350832148.db2.gz HUGDHUKLIRCTDK-GHMZBOCLSA-N 0 3 262.328 2.743 20 30 CFEDHN COCC1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602015629 350832470 /nfs/dbraw/zinc/83/24/70/350832470.db2.gz FEAGAJWMDVQFJF-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN N#Cc1c(F)cccc1CNCCCC1CCOCC1 ZINC000602022705 350833701 /nfs/dbraw/zinc/83/37/01/350833701.db2.gz GNXGFVQTBAEXLE-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN N#Cc1c(F)cccc1CNCCC[C@H]1CCOC1 ZINC000602022642 350834048 /nfs/dbraw/zinc/83/40/48/350834048.db2.gz DKSNGOMRWKXEME-LBPRGKRZSA-N 0 3 262.328 2.604 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@@H]1CCCOC1 ZINC000602027287 350834794 /nfs/dbraw/zinc/83/47/94/350834794.db2.gz GKUVFVQJKMLGJE-LBPRGKRZSA-N 0 3 262.328 2.604 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H]1CCCN2CCCC[C@@H]12 ZINC000602028467 350835988 /nfs/dbraw/zinc/83/59/88/350835988.db2.gz MVITXGMAYDCGIE-IRXDYDNUSA-N 0 3 287.382 2.804 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000602055266 350836614 /nfs/dbraw/zinc/83/66/14/350836614.db2.gz WKJDJXDINGHHLN-KRWDZBQOSA-N 0 3 297.402 2.534 20 30 CFEDHN CN(CC(=O)N[C@H](C#N)C1CCCCC1)CC(C)(C)C ZINC000602115353 350842908 /nfs/dbraw/zinc/84/29/08/350842908.db2.gz IVBJUVYGGZJWGJ-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN Cc1ccc(CNC(=O)C(C)C#N)cc1Br ZINC000602218199 350853352 /nfs/dbraw/zinc/85/33/52/350853352.db2.gz KCZZBUIPPNHOBX-VIFPVBQESA-N 0 3 281.153 2.533 20 30 CFEDHN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C#N)cc2)n1C ZINC000601994784 350825279 /nfs/dbraw/zinc/82/52/79/350825279.db2.gz BXXYPNCKTOWLRZ-LBPRGKRZSA-N 0 3 297.358 2.534 20 30 CFEDHN CCCO[C@@H]1CCCN(Cc2cccc(C#N)n2)CC1 ZINC000602476496 350898644 /nfs/dbraw/zinc/89/86/44/350898644.db2.gz QVYUSYQCDFZNNH-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cccc(C#N)n1 ZINC000602482340 350901336 /nfs/dbraw/zinc/90/13/36/350901336.db2.gz FLCFRVNLCSCSMZ-JKSUJKDBSA-N 0 3 287.407 2.979 20 30 CFEDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)[nH]c1C ZINC000602511404 350910212 /nfs/dbraw/zinc/91/02/12/350910212.db2.gz RACDDSBGSCBHNU-NSHDSACASA-N 0 3 297.358 2.832 20 30 CFEDHN CC(C)CC[C@@H](N)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602521015 350913213 /nfs/dbraw/zinc/91/32/13/350913213.db2.gz MMXKDFKRGGGFBK-MRXNPFEDSA-N 0 3 299.418 2.817 20 30 CFEDHN N#CCCCCC(=O)N1CCCc2cccc(CN)c21 ZINC000602540332 350918691 /nfs/dbraw/zinc/91/86/91/350918691.db2.gz LPOHDSSTJQRQIG-UHFFFAOYSA-N 0 3 271.364 2.508 20 30 CFEDHN CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@H](N)CCCC#N ZINC000602545747 350919221 /nfs/dbraw/zinc/91/92/21/350919221.db2.gz OWUOSSLWDLTSHD-JKSUJKDBSA-N 0 3 299.418 2.802 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCCN(c3ccccc3)C2)n1 ZINC000602548689 350921048 /nfs/dbraw/zinc/92/10/48/350921048.db2.gz VIJJJNPJDRGENF-KRWDZBQOSA-N 0 3 292.386 2.712 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602551108 350921130 /nfs/dbraw/zinc/92/11/30/350921130.db2.gz MHQKTQWMUBJLBS-XJKSGUPXSA-N 0 3 287.407 2.884 20 30 CFEDHN COc1c(C)cc(Cl)cc1NC(=O)[C@@H](N)CCCC#N ZINC000602561342 350925164 /nfs/dbraw/zinc/92/51/64/350925164.db2.gz DOURQGBNSUUFER-NSHDSACASA-N 0 3 295.770 2.617 20 30 CFEDHN Cc1ccc(CC[C@H](C)NCc2cccc(C#N)n2)o1 ZINC000602566195 350926669 /nfs/dbraw/zinc/92/66/69/350926669.db2.gz JIAJIZKOHNKNPG-LBPRGKRZSA-N 0 3 269.348 2.966 20 30 CFEDHN COc1ccccc1O[C@@H](C)CNCc1cccc(C#N)n1 ZINC000602564914 350926874 /nfs/dbraw/zinc/92/68/74/350926874.db2.gz WREDQRQLNCIQPM-ZDUSSCGKSA-N 0 3 297.358 2.519 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCOc3ccccc32)n1 ZINC000602568074 350927680 /nfs/dbraw/zinc/92/76/80/350927680.db2.gz VXMXDNLARCJAML-ZDUSSCGKSA-N 0 3 279.343 2.609 20 30 CFEDHN COCCC1(CNCc2cccc(C#N)n2)CCCC1 ZINC000602570672 350928597 /nfs/dbraw/zinc/92/85/97/350928597.db2.gz VKDKUPWSRQQIIC-UHFFFAOYSA-N 0 3 273.380 2.640 20 30 CFEDHN CCC1(CC)[C@@H](NCc2cccc(C#N)n2)C[C@@H]1OC ZINC000602572892 350929067 /nfs/dbraw/zinc/92/90/67/350929067.db2.gz UOJHJYDJSBZVGE-GJZGRUSLSA-N 0 3 273.380 2.637 20 30 CFEDHN N#Cc1cccc(CNCCC2Cc3ccccc3C2)n1 ZINC000602579195 350932122 /nfs/dbraw/zinc/93/21/22/350932122.db2.gz BNGNETXKODPRHN-UHFFFAOYSA-N 0 3 277.371 2.848 20 30 CFEDHN N#Cc1cccc(CNC2CCC(F)(F)CC2)n1 ZINC000602579822 350932929 /nfs/dbraw/zinc/93/29/29/350932929.db2.gz KRPQSOKLKABJBT-UHFFFAOYSA-N 0 3 251.280 2.621 20 30 CFEDHN CC[C@](C)(NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000602581560 350933560 /nfs/dbraw/zinc/93/35/60/350933560.db2.gz KHJCITMFJHLGSQ-HOCLYGCPSA-N 0 3 291.370 2.588 20 30 CFEDHN CCC(C#N)(CC)C(=O)Nc1cccc(CNC)c1 ZINC000602425887 350877658 /nfs/dbraw/zinc/87/76/58/350877658.db2.gz XNGMPCSSKIDPEH-UHFFFAOYSA-N 0 3 259.353 2.674 20 30 CFEDHN CC(C)C1(CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000602433322 350880440 /nfs/dbraw/zinc/88/04/40/350880440.db2.gz LIQQQDKKSILNHR-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN C[C@H](CCC#N)CN(C)CC(=O)N(C)C1CCCCC1 ZINC000602438474 350882858 /nfs/dbraw/zinc/88/28/58/350882858.db2.gz JTQWGOCXHKLAIM-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN CO[C@](C)(CN(C)Cc1cccc(C#N)c1)C1CC1 ZINC000602442447 350885157 /nfs/dbraw/zinc/88/51/57/350885157.db2.gz YTFWKTSVGOYVIK-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN C[C@H](CCC#N)CN1CCC(C(=O)OC(C)(C)C)CC1 ZINC000602461093 350890215 /nfs/dbraw/zinc/89/02/15/350890215.db2.gz XOTOEYNRGRJTRE-CYBMUJFWSA-N 0 3 280.412 2.980 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1cccc(C#N)n1 ZINC000602646089 350960246 /nfs/dbraw/zinc/96/02/46/350960246.db2.gz QADQNOHYRFUUDY-GOSISDBHSA-N 0 3 295.386 2.643 20 30 CFEDHN COc1ccc2c(c1)OCCN(C[C@@H](C)CCC#N)C2 ZINC000602652679 350961528 /nfs/dbraw/zinc/96/15/28/350961528.db2.gz JIAYVFVIRQJWTB-ZDUSSCGKSA-N 0 3 274.364 2.829 20 30 CFEDHN CCN(CC(=O)N1CCCCCC1)C[C@H](C)CCC#N ZINC000602652292 350961759 /nfs/dbraw/zinc/96/17/59/350961759.db2.gz CDSYBJQLPMLKRS-OAHLLOKOSA-N 0 3 279.428 2.651 20 30 CFEDHN C[C@@H](CCC#N)CN[C@@H](C)c1c(F)cncc1F ZINC000602657571 350963518 /nfs/dbraw/zinc/96/35/18/350963518.db2.gz ZKTRYKZHWJTVMT-UWVGGRQHSA-N 0 3 253.296 2.950 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602659639 350964348 /nfs/dbraw/zinc/96/43/48/350964348.db2.gz PWPVSKNTWMZEHY-UHFFFAOYSA-N 0 3 294.402 2.517 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000602665136 350967915 /nfs/dbraw/zinc/96/79/15/350967915.db2.gz QXPJHZAAZWSZBV-QZTJIDSGSA-N 0 3 293.370 2.963 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CSc3ccccc32)n1 ZINC000602674308 350971597 /nfs/dbraw/zinc/97/15/97/350971597.db2.gz XOLRIWZDAYSGMP-LBPRGKRZSA-N 0 3 281.384 2.932 20 30 CFEDHN C=CCC1(NCc2cc(C(=O)OC)no2)CCCCC1 ZINC000602683092 350976897 /nfs/dbraw/zinc/97/68/97/350976897.db2.gz HZFMGMUXMFQCTM-UHFFFAOYSA-N 0 3 278.352 2.830 20 30 CFEDHN N#Cc1cccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)n1 ZINC000602693148 350982854 /nfs/dbraw/zinc/98/28/54/350982854.db2.gz QNMNYOHOEXYXNF-QGZVFWFLSA-N 0 3 297.402 2.734 20 30 CFEDHN C[C@@H](CCC#N)CN[C@H](CCO)c1ccccc1F ZINC000602696880 350984596 /nfs/dbraw/zinc/98/45/96/350984596.db2.gz LIURQWRGSIZLFO-SWLSCSKDSA-N 0 3 264.344 2.779 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CC23CCSCC3)n1 ZINC000602700223 350985398 /nfs/dbraw/zinc/98/53/98/350985398.db2.gz UAAXUCZWVNIIJI-GFCCVEGCSA-N 0 3 273.405 2.576 20 30 CFEDHN N#CC1(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCC1 ZINC000602700378 350985988 /nfs/dbraw/zinc/98/59/88/350985988.db2.gz VXHIAUKNFPVEDY-IHRRRGAJSA-N 0 3 260.381 2.618 20 30 CFEDHN C=CCCSCCNCc1cc(C(=O)OC)c(C)[nH]1 ZINC000602708485 350991984 /nfs/dbraw/zinc/99/19/84/350991984.db2.gz FTBOSARZUQKALP-UHFFFAOYSA-N 0 3 282.409 2.509 20 30 CFEDHN COc1ccc2c(c1)CCN(C[C@@H](C)CCC#N)C2 ZINC000602712023 350993651 /nfs/dbraw/zinc/99/36/51/350993651.db2.gz UYSYAHBKUJZCCR-ZDUSSCGKSA-N 0 3 258.365 2.993 20 30 CFEDHN COC(=O)c1ccc(CNC2CCC(C#N)CC2)c(F)c1 ZINC000602713103 350994932 /nfs/dbraw/zinc/99/49/32/350994932.db2.gz JGXKPUYUCPGHRR-UHFFFAOYSA-N 0 3 290.338 2.784 20 30 CFEDHN C[C@@H](CCC#N)CN1CCc2nc(C3CC3)ncc2C1 ZINC000602727508 351002118 /nfs/dbraw/zinc/00/21/18/351002118.db2.gz VOKCVDMUWIUVFD-LBPRGKRZSA-N 0 3 270.380 2.652 20 30 CFEDHN COCC1(C2CC2)CN(CC(C)(C)CCC#N)C1 ZINC000602731524 351005060 /nfs/dbraw/zinc/00/50/60/351005060.db2.gz LUQQJRBGCVXXIC-UHFFFAOYSA-N 0 3 250.386 2.675 20 30 CFEDHN CS[C@H](CNCc1cccc(C#N)n1)C(C)(C)C ZINC000602609036 350944614 /nfs/dbraw/zinc/94/46/14/350944614.db2.gz PROAIVMVXSBBTD-CYBMUJFWSA-N 0 3 263.410 2.821 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(c2ccccc2OC)CC1 ZINC000602610113 350944627 /nfs/dbraw/zinc/94/46/27/350944627.db2.gz GAAWLKLDBLQAST-CQSZACIVSA-N 0 3 287.407 2.946 20 30 CFEDHN C[C@@H](CCC#N)CN[C@H]1COc2cc(F)cc(F)c21 ZINC000602609818 350944632 /nfs/dbraw/zinc/94/46/32/350944632.db2.gz WALZHVSBIJBLGH-CABZTGNLSA-N 0 3 266.291 2.928 20 30 CFEDHN CC[C@H](CC#N)NC[C@H]1CCN(c2ccccc2)C1 ZINC000602612734 350946409 /nfs/dbraw/zinc/94/64/09/350946409.db2.gz QBKOWNQXRAXCTH-HUUCEWRRSA-N 0 3 257.381 2.795 20 30 CFEDHN COC1CCC(CCNCc2cccc(C#N)n2)CC1 ZINC000602615253 350947139 /nfs/dbraw/zinc/94/71/39/350947139.db2.gz XKRGNULCDKUSTB-UHFFFAOYSA-N 0 3 273.380 2.638 20 30 CFEDHN CCOC(=O)[C@H](CC)N(C[C@H](C)CCC#N)C1CC1 ZINC000602629215 350952267 /nfs/dbraw/zinc/95/22/67/350952267.db2.gz FQZZBFOZCYPFOW-OCCSQVGLSA-N 0 3 266.385 2.732 20 30 CFEDHN Cc1cc(CCNCc2cccc(C#N)n2)cc(C)c1O ZINC000602631297 350953315 /nfs/dbraw/zinc/95/33/15/350953315.db2.gz SDJOFFCTFNPNMB-UHFFFAOYSA-N 0 3 281.359 2.608 20 30 CFEDHN COCCN(Cc1cccc(C#N)n1)[C@@H]1CC[C@H](C)C1 ZINC000602631127 350953440 /nfs/dbraw/zinc/95/34/40/350953440.db2.gz OYVKTWWRZLOCHM-XJKSGUPXSA-N 0 3 273.380 2.590 20 30 CFEDHN CCN(C[C@H]1CCc2ncnn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000602765562 351016980 /nfs/dbraw/zinc/01/69/80/351016980.db2.gz VJDPNHXVSMOAMU-XJKSGUPXSA-N 0 3 295.390 2.720 20 30 CFEDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC2(CC#N)CC2)C1 ZINC000602767285 351018431 /nfs/dbraw/zinc/01/84/31/351018431.db2.gz CXSFLVUWNCVBNA-GJZGRUSLSA-N 0 3 291.439 2.697 20 30 CFEDHN CO[C@]1(C)C[C@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602786503 351024987 /nfs/dbraw/zinc/02/49/87/351024987.db2.gz QTKCHRLTZZOTIG-GXTWGEPZSA-N 0 3 250.386 2.816 20 30 CFEDHN COc1ccc2c(c1)CCN(CC1(CC#N)CC1)CC2 ZINC000602799924 351030358 /nfs/dbraw/zinc/03/03/58/351030358.db2.gz RYGRIPTWUGPDNF-UHFFFAOYSA-N 0 3 270.376 2.790 20 30 CFEDHN Cc1ccnc([C@@H]2CCN(CC3(CC#N)CC3)C2)c1 ZINC000602838394 351042180 /nfs/dbraw/zinc/04/21/80/351042180.db2.gz DQFJTSHMPHUMHA-CQSZACIVSA-N 0 3 255.365 2.873 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(CC2(CC#N)CC2)C1 ZINC000602847120 351043796 /nfs/dbraw/zinc/04/37/96/351043796.db2.gz SDXYKFUFLLSGIA-KGLIPLIRSA-N 0 3 292.423 2.980 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](C)N(CC2(CC#N)CC2)[C@@H]1C ZINC000602852213 351045028 /nfs/dbraw/zinc/04/50/28/351045028.db2.gz DUZWWLCAZFDWTA-BFHYXJOUSA-N 0 3 278.396 2.732 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](c2cccnc2)C1 ZINC000602852214 351045188 /nfs/dbraw/zinc/04/51/88/351045188.db2.gz DWEHCZRBXCVPBN-CVEARBPZSA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H](C)N1CC#N ZINC000602853566 351046236 /nfs/dbraw/zinc/04/62/36/351046236.db2.gz KIZVEGAYYOYCOT-VBQJREDUSA-N 0 3 269.392 2.592 20 30 CFEDHN C[C@@H]1CN(CCCc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000602855120 351047043 /nfs/dbraw/zinc/04/70/43/351047043.db2.gz SEDXNFQFIKZXJS-GASCZTMLSA-N 0 3 289.398 2.676 20 30 CFEDHN C[C@H](c1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855491 351047727 /nfs/dbraw/zinc/04/77/27/351047727.db2.gz HHIAYSKIAURHEO-QLFBSQMISA-N 0 3 257.381 2.666 20 30 CFEDHN N#CCC1(CN2CCC([C@@H]3CCCCO3)CC2)CC1 ZINC000602902387 351061480 /nfs/dbraw/zinc/06/14/80/351061480.db2.gz XMCSVPFJQDXEEQ-HNNXBMFYSA-N 0 3 262.397 2.961 20 30 CFEDHN CC1(C)C[C@@H](N2CCC(c3ccc(C#N)cn3)CC2)CO1 ZINC000602906725 351062267 /nfs/dbraw/zinc/06/22/67/351062267.db2.gz NBKRBSPBAMSYNH-OAHLLOKOSA-N 0 3 285.391 2.700 20 30 CFEDHN C[C@H](CCC#N)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907492 351063209 /nfs/dbraw/zinc/06/32/09/351063209.db2.gz MVQGIGXVPKBMID-CYBMUJFWSA-N 0 3 268.364 2.825 20 30 CFEDHN N#Cc1ccc(C2CCN(CCOC3CCC3)CC2)nc1 ZINC000602908912 351063244 /nfs/dbraw/zinc/06/32/44/351063244.db2.gz WQVVFHPLIZDJAA-UHFFFAOYSA-N 0 3 285.391 2.702 20 30 CFEDHN CC1=CCC[C@H](C)[C@@H]1CN1CCN(CCC#N)CC1 ZINC000602748700 351012586 /nfs/dbraw/zinc/01/25/86/351012586.db2.gz QTRHUEWYXDVEJQ-JKSUJKDBSA-N 0 3 261.413 2.510 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(c2cccc(F)c2)CC1 ZINC000602751303 351013741 /nfs/dbraw/zinc/01/37/41/351013741.db2.gz GFODBZMPOXXWTI-CQSZACIVSA-N 0 3 275.371 2.888 20 30 CFEDHN Cc1ccc(Cn2cc(CNC3CCCC3)nn2)cc1C#N ZINC000603223063 351121161 /nfs/dbraw/zinc/12/11/61/351121161.db2.gz KNJDWXQTYICQPU-UHFFFAOYSA-N 0 3 295.390 2.539 20 30 CFEDHN C=CCCCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961821 351072466 /nfs/dbraw/zinc/07/24/66/351072466.db2.gz DUVGFVBUDRTFFP-OAHLLOKOSA-N 0 3 278.352 2.748 20 30 CFEDHN CC[C@@]1(O)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000602981517 351082101 /nfs/dbraw/zinc/08/21/01/351082101.db2.gz FIVDXPKSEQLCFF-CZUORRHYSA-N 0 3 258.365 2.856 20 30 CFEDHN CC[C@@]1(O)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000602983856 351084689 /nfs/dbraw/zinc/08/46/89/351084689.db2.gz VSTCCPIIAVIXJY-CZUORRHYSA-N 0 3 258.365 2.856 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000602991599 351086850 /nfs/dbraw/zinc/08/68/50/351086850.db2.gz JGVWCRYENKDIBD-NXEZZACHSA-N 0 3 259.309 2.876 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)c(F)c1 ZINC000602997104 351088098 /nfs/dbraw/zinc/08/80/98/351088098.db2.gz CLGIQNBGPNZXAL-UAGQMJEPSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000602997102 351088125 /nfs/dbraw/zinc/08/81/25/351088125.db2.gz CLGIQNBGPNZXAL-OIISXLGYSA-N 0 3 288.366 2.823 20 30 CFEDHN C=CCCCCN1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603001855 351089384 /nfs/dbraw/zinc/08/93/84/351089384.db2.gz VEDJQAMNWIWCCA-UHFFFAOYSA-N 0 3 292.379 2.997 20 30 CFEDHN C[C@@]1(C2CCCCC2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000603030939 351092516 /nfs/dbraw/zinc/09/25/16/351092516.db2.gz YNBOICDRIWPGKU-INIZCTEOSA-N 0 3 289.423 2.594 20 30 CFEDHN COCc1cc(C#N)ccc1NC[C@H]1CCN1C(C)(C)C ZINC000603406206 351158327 /nfs/dbraw/zinc/15/83/27/351158327.db2.gz QVRAUYDYKOCRCC-OAHLLOKOSA-N 0 3 287.407 2.989 20 30 CFEDHN Cc1nc(C#N)n(CCN(C)Cc2ccc(F)cc2)c1C ZINC000603426976 351162425 /nfs/dbraw/zinc/16/24/25/351162425.db2.gz SVOJEKIPPHTCAE-UHFFFAOYSA-N 0 3 286.354 2.643 20 30 CFEDHN CN(C(=O)CCNCc1ccc(C#N)cc1)c1ccccc1 ZINC000604459675 351213986 /nfs/dbraw/zinc/21/39/86/351213986.db2.gz BASFBJJOGPUKTH-UHFFFAOYSA-N 0 3 293.370 2.701 20 30 CFEDHN C=CCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000606897131 351301076 /nfs/dbraw/zinc/30/10/76/351301076.db2.gz UJEZPRCCTKLKFH-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cn[nH]c2)cc1 ZINC000271431450 191133833 /nfs/dbraw/zinc/13/38/33/191133833.db2.gz DDWJVOFEXVWODU-STQMWFEESA-N 0 3 269.348 2.834 20 30 CFEDHN CCN(CCn1ccccc1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000608788724 351470470 /nfs/dbraw/zinc/47/04/70/351470470.db2.gz QYIDUIKLNLBCPA-HNNXBMFYSA-N 0 3 295.386 2.803 20 30 CFEDHN CC(C)C[C@H](C#N)NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000609170215 351490816 /nfs/dbraw/zinc/49/08/16/351490816.db2.gz LLRRHQGKDSZSSH-QGZVFWFLSA-N 0 3 299.418 2.950 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000609840022 351522098 /nfs/dbraw/zinc/52/20/98/351522098.db2.gz YXQKSPWTTTWFKF-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(Cl)c1Cl ZINC000609919701 351527259 /nfs/dbraw/zinc/52/72/59/351527259.db2.gz CKPXSLIHWFVUKM-ZETCQYMHSA-N 0 3 257.120 2.769 20 30 CFEDHN CC(C)Oc1ccccc1[C@H](C)NC(=O)C(C)C#N ZINC000609920220 351528494 /nfs/dbraw/zinc/52/84/94/351528494.db2.gz VZFCTCUAVOZLSV-NEPJUHHUSA-N 0 3 260.337 2.811 20 30 CFEDHN CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(C)C#N ZINC000609920226 351528835 /nfs/dbraw/zinc/52/88/35/351528835.db2.gz VZFCTCUAVOZLSV-VXGBXAGGSA-N 0 3 260.337 2.811 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000610001829 351530517 /nfs/dbraw/zinc/53/05/17/351530517.db2.gz CMWHWOPCEAJWDU-JLJPHGGASA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000610150311 351535959 /nfs/dbraw/zinc/53/59/59/351535959.db2.gz JCHVEFVITAIZFI-SCZZXKLOSA-N 0 3 256.227 2.566 20 30 CFEDHN C=CCN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000610277481 351546513 /nfs/dbraw/zinc/54/65/13/351546513.db2.gz OANAGEGSDIDPKN-UHFFFAOYSA-N 0 3 267.354 2.719 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000610279953 351547815 /nfs/dbraw/zinc/54/78/15/351547815.db2.gz YJMSYFAXJNOKKS-MWLCHTKSSA-N 0 3 264.760 2.501 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1ccc(C#N)cc1F ZINC000610715917 351596273 /nfs/dbraw/zinc/59/62/73/351596273.db2.gz BGRIRUWOTADITK-ZDUSSCGKSA-N 0 3 261.344 2.984 20 30 CFEDHN C[C@H](C(=O)N[C@@H](C)c1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000610366790 351560037 /nfs/dbraw/zinc/56/00/37/351560037.db2.gz XRDRCBUTPHHZNX-LJISPDSOSA-N 0 3 299.418 2.997 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN(C)C1CCC1 ZINC000610370247 351561117 /nfs/dbraw/zinc/56/11/17/351561117.db2.gz PHHSSJPIVSQGPB-UHFFFAOYSA-N 0 3 299.418 2.781 20 30 CFEDHN CCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000611092388 351639960 /nfs/dbraw/zinc/63/99/60/351639960.db2.gz RYZLGDRNUPFEQT-ZIAGYGMSSA-N 0 3 257.381 2.645 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccccc1C#N ZINC000611119095 351641877 /nfs/dbraw/zinc/64/18/77/351641877.db2.gz SGXMCRJXXPOTPQ-KBXCAEBGSA-N 0 3 280.371 2.812 20 30 CFEDHN COCCN(Cc1cc(C#N)ccc1OC)C1CCCC1 ZINC000610953114 351624219 /nfs/dbraw/zinc/62/42/19/351624219.db2.gz RUIUTEDEUSNLLU-UHFFFAOYSA-N 0 3 288.391 2.958 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000610994513 351631053 /nfs/dbraw/zinc/63/10/53/351631053.db2.gz SGNWSOSDCXCXCS-HOTGVXAUSA-N 0 3 285.391 2.733 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391617 351680588 /nfs/dbraw/zinc/68/05/88/351680588.db2.gz HSTUZFLJGDWJCY-CXAGYDPISA-N 0 3 299.418 2.830 20 30 CFEDHN CSC[C@H](CCO)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393260 351681032 /nfs/dbraw/zinc/68/10/32/351681032.db2.gz RSYHGCLKWSKJHQ-GOEBONIOSA-N 0 3 290.432 2.639 20 30 CFEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611393147 351681146 /nfs/dbraw/zinc/68/11/46/351681146.db2.gz LJCKDPNNHXZOGY-INIZCTEOSA-N 0 3 266.348 2.757 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](CO)CC(F)(F)F ZINC000611394534 351682546 /nfs/dbraw/zinc/68/25/46/351682546.db2.gz PEDDVPHDHOHXSI-JSGCOSHPSA-N 0 3 298.308 2.839 20 30 CFEDHN Cn1cc(CCCN[C@@H](CCC#N)c2ccccc2)cn1 ZINC000611406924 351684075 /nfs/dbraw/zinc/68/40/75/351684075.db2.gz BZDPOELBCVMXKM-KRWDZBQOSA-N 0 3 282.391 2.987 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000611431868 351689179 /nfs/dbraw/zinc/68/91/79/351689179.db2.gz DUFIYUZVKHISQW-BRWVUGGUSA-N 0 3 277.456 2.978 20 30 CFEDHN C[C@@H]1CCN(Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000611429964 351689268 /nfs/dbraw/zinc/68/92/68/351689268.db2.gz KMTCJPNCOQMDOG-MRXNPFEDSA-N 0 3 283.419 2.887 20 30 CFEDHN C[C@H](N[C@@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000611465889 351693211 /nfs/dbraw/zinc/69/32/11/351693211.db2.gz DMPNOAILZHBPNE-IINYFYTJSA-N 0 3 262.328 2.509 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611559932 351708716 /nfs/dbraw/zinc/70/87/16/351708716.db2.gz PGQRRGYJZNGGHI-MRXNPFEDSA-N 0 3 256.349 2.728 20 30 CFEDHN Cc1nccn1CCCCN1CCC[C@@](C)(C#N)C1 ZINC000612160059 351781718 /nfs/dbraw/zinc/78/17/18/351781718.db2.gz FWQONRSROILMFB-HNNXBMFYSA-N 0 3 260.385 2.597 20 30 CFEDHN Cc1ccncc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000611939747 351753759 /nfs/dbraw/zinc/75/37/59/351753759.db2.gz NNZTXSBQHHGXOJ-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN COc1cccc(C[C@@H](C)NCc2ccc(C#N)cc2F)n1 ZINC000611967405 351756460 /nfs/dbraw/zinc/75/64/60/351756460.db2.gz IWNYNIGWBZGVHA-GFCCVEGCSA-N 0 3 299.349 2.822 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000122270188 187023744 /nfs/dbraw/zinc/02/37/44/187023744.db2.gz CBBJFOXBIHRABI-JQWIXIFHSA-N 0 3 286.335 2.504 20 30 CFEDHN C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000612365435 351808011 /nfs/dbraw/zinc/80/80/11/351808011.db2.gz VXFHQWHUDIBCHZ-WBVHZDCISA-N 0 3 289.423 2.546 20 30 CFEDHN C[C@@H](C#N)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612586556 351839647 /nfs/dbraw/zinc/83/96/47/351839647.db2.gz FSZJJMSWGBRSHO-HOCLYGCPSA-N 0 3 271.408 2.789 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(C#N)cc1C ZINC000122966509 187062884 /nfs/dbraw/zinc/06/28/84/187062884.db2.gz JSYHJZHIQWTUES-INIZCTEOSA-N 0 3 299.418 2.861 20 30 CFEDHN C[C@@H]1C[C@H](Nc2ccc(C#N)cc2F)CN1C1CC1 ZINC000123024346 187066578 /nfs/dbraw/zinc/06/65/78/187066578.db2.gz NTHAYCSVRHQLCD-PWSUYJOCSA-N 0 3 259.328 2.734 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc(C#N)cc2F)CN1C1CC1 ZINC000123024562 187066846 /nfs/dbraw/zinc/06/68/46/187066846.db2.gz NTHAYCSVRHQLCD-JQWIXIFHSA-N 0 3 259.328 2.734 20 30 CFEDHN CC(=O)NC1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614162956 352054484 /nfs/dbraw/zinc/05/44/84/352054484.db2.gz HSSSWENXKWQCKV-UHFFFAOYSA-N 0 3 299.418 2.588 20 30 CFEDHN C=C(C)CCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000614182739 352058353 /nfs/dbraw/zinc/05/83/53/352058353.db2.gz WVOPVUCWCPGQEL-QGZVFWFLSA-N 0 3 287.382 2.974 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ccnc(C#N)c1 ZINC000614227390 352065339 /nfs/dbraw/zinc/06/53/39/352065339.db2.gz GWYISOLPLXMXCD-HOTGVXAUSA-N 0 3 273.380 2.637 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCOCC2(CCC2)C1 ZINC000614406174 352090739 /nfs/dbraw/zinc/09/07/39/352090739.db2.gz ULYIYJKDHJIJBS-UHFFFAOYSA-N 0 3 270.376 2.869 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1ccc2ccccc2n1)C1CC1 ZINC000616177130 352296498 /nfs/dbraw/zinc/29/64/98/352296498.db2.gz ZDHNPCSNLGGABD-SMDDNHRTSA-N 0 3 279.343 2.757 20 30 CFEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(C)nc2)sc1C ZINC000616177124 352296591 /nfs/dbraw/zinc/29/65/91/352296591.db2.gz YQMZXBTWICXPSM-LBPRGKRZSA-N 0 3 286.360 2.709 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617344165 352545869 /nfs/dbraw/zinc/54/58/69/352545869.db2.gz BPFXSHWTMBVSLF-QWHCGFSZSA-N 0 3 252.402 2.578 20 30 CFEDHN CC[C@H](NCCOC[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000618568457 352811967 /nfs/dbraw/zinc/81/19/67/352811967.db2.gz UOSSHUYVOJQXRA-WBVHZDCISA-N 0 3 288.391 2.652 20 30 CFEDHN Cc1ccccc1[C@H](CO)N[C@H]1CCC[C@@H](C#N)C1 ZINC000618570118 352813098 /nfs/dbraw/zinc/81/30/98/352813098.db2.gz NHCZQJKGWKEURL-YCPHGPKFSA-N 0 3 258.365 2.700 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cnn(CC(F)(F)F)c2)C1 ZINC000618571374 352813686 /nfs/dbraw/zinc/81/36/86/352813686.db2.gz GHWJIBDCKCDYNZ-JQWIXIFHSA-N 0 3 286.301 2.617 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000618572057 352814912 /nfs/dbraw/zinc/81/49/12/352814912.db2.gz OHXAKCNZKLVJSG-IIAWOOMASA-N 0 3 289.423 2.592 20 30 CFEDHN CCO[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000618590801 352824944 /nfs/dbraw/zinc/82/49/44/352824944.db2.gz ZSYLRQRFUWEPJE-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CCCC(=O)NC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000618593565 352826872 /nfs/dbraw/zinc/82/68/72/352826872.db2.gz FTQUBPQCDKQRNO-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)CC12CCCCC2 ZINC000618887722 352905637 /nfs/dbraw/zinc/90/56/37/352905637.db2.gz FMBDWCNYWPCZAM-OAHLLOKOSA-N 0 3 263.429 2.877 20 30 CFEDHN C=C(C)[C@@H](CO)SCCN(C)Cc1ccccc1 ZINC000618966036 352922039 /nfs/dbraw/zinc/92/20/39/352922039.db2.gz VNOMYNYFJQMDMN-OAHLLOKOSA-N 0 3 265.422 2.789 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618985948 352928137 /nfs/dbraw/zinc/92/81/37/352928137.db2.gz ALZPEQCTEZVJQO-OAHLLOKOSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CC[C@H](CO)NCc1c(C)nn(-c2ccccc2)c1C ZINC000321050494 539943904 /nfs/dbraw/zinc/94/39/04/539943904.db2.gz VNFVYEQURRTYGG-OAHLLOKOSA-N 0 3 285.391 2.516 20 30 CFEDHN C=CCC1(NC(=O)CCN(C)c2ccncc2)CCCC1 ZINC000619111428 352956950 /nfs/dbraw/zinc/95/69/50/352956950.db2.gz XHLRWUGYCKTIPM-UHFFFAOYSA-N 0 3 287.407 2.913 20 30 CFEDHN CC[C@@H](NCC1(CC#N)CC1)c1c(C)nn(C)c1C ZINC000619535091 353034087 /nfs/dbraw/zinc/03/40/87/353034087.db2.gz AZJYLMFRQMVDLZ-CYBMUJFWSA-N 0 3 260.385 2.772 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCN(CCC)C2)CCCC1 ZINC000619904681 353076689 /nfs/dbraw/zinc/07/66/89/353076689.db2.gz MVTHRUODOYBJKO-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@@H]1CCN(CCC)C1)c1ccccc1 ZINC000619900417 353075147 /nfs/dbraw/zinc/07/51/47/353075147.db2.gz CEGSTCULWOIYDR-DOTOQJQBSA-N 0 3 286.419 2.947 20 30 CFEDHN N#Cc1ccc(OCCN[C@H]2CCCc3cccnc32)cc1 ZINC000619611326 353040234 /nfs/dbraw/zinc/04/02/34/353040234.db2.gz OGLNBUWOMMHRSR-KRWDZBQOSA-N 0 3 293.370 2.999 20 30 CFEDHN COC(=O)CC1(CN[C@H](C)c2cccc(C#N)c2)CC1 ZINC000619649726 353043396 /nfs/dbraw/zinc/04/33/96/353043396.db2.gz GHVUZCSJCWTMNA-GFCCVEGCSA-N 0 3 272.348 2.552 20 30 CFEDHN Cc1nc(C)c(C#N)c(SCCN2CCCCC2)n1 ZINC000151407092 187960893 /nfs/dbraw/zinc/96/08/93/187960893.db2.gz LOYRPYQGYVUPAA-UHFFFAOYSA-N 0 3 276.409 2.543 20 30 CFEDHN CC(C)OC[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000619715420 353056425 /nfs/dbraw/zinc/05/64/25/353056425.db2.gz AVCJUZHXEZQEBL-WBMJQRKESA-N 0 3 258.365 2.949 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000152724558 188038345 /nfs/dbraw/zinc/03/83/45/188038345.db2.gz JQDJADATAIERKP-WMZOPIPTSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cc(F)ccc1OC ZINC000271663476 191265544 /nfs/dbraw/zinc/26/55/44/191265544.db2.gz LSJQDSSBODFDHI-AAEUAGOBSA-N 0 3 267.344 2.812 20 30 CFEDHN C#CCSCCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000152958609 188055802 /nfs/dbraw/zinc/05/58/02/188055802.db2.gz XPCPIMBPSQEAHB-UHFFFAOYSA-N 0 3 289.379 2.672 20 30 CFEDHN C=C(C)C[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000153382316 188078916 /nfs/dbraw/zinc/07/89/16/188078916.db2.gz KMRUEHSKRVSOGU-UHFFFAOYSA-N 0 3 286.169 2.829 20 30 CFEDHN Cc1cc(C)n(CCN[C@H](C)c2ccc(C#N)cc2)n1 ZINC000271669878 191269457 /nfs/dbraw/zinc/26/94/57/191269457.db2.gz NBIYJWZVDWTICN-CQSZACIVSA-N 0 3 268.364 2.722 20 30 CFEDHN C=CCN(CC=C)C(=O)NCCN1CCCC[C@H]1CC ZINC000154086451 188122893 /nfs/dbraw/zinc/12/28/93/188122893.db2.gz DFSJHJMEZMPXFV-OAHLLOKOSA-N 0 3 279.428 2.635 20 30 CFEDHN COc1ccccc1N1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000154390975 188139809 /nfs/dbraw/zinc/13/98/09/188139809.db2.gz DMGJNRJKGGEPND-ZDUSSCGKSA-N 0 3 297.358 2.528 20 30 CFEDHN C[C@H]1CN(C(=O)c2cccc(C#N)c2)CCN(C2CCC2)C1 ZINC000292436452 198287904 /nfs/dbraw/zinc/28/79/04/198287904.db2.gz RFBBEZSEDDEMKK-CQSZACIVSA-N 0 3 297.402 2.505 20 30 CFEDHN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1cccc(C#N)c1 ZINC000292436439 198288004 /nfs/dbraw/zinc/28/80/04/198288004.db2.gz MGMANKFJJFPIJW-ZIAGYGMSSA-N 0 3 287.407 2.761 20 30 CFEDHN C=CCCC(C)(C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000620858676 353242685 /nfs/dbraw/zinc/24/26/85/353242685.db2.gz OGKJCYPFBQTJBF-BETUJISGSA-N 0 3 252.402 2.720 20 30 CFEDHN C=CCC1(C(=O)N2CCN[C@H](C(C)C)C2)CCCCC1 ZINC000621159431 353290130 /nfs/dbraw/zinc/29/01/30/353290130.db2.gz KXPRNQMAHUHWPQ-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN Cc1nc(N(CCN(C)C)C(C)C)c(Cl)cc1C#N ZINC000292504929 198313380 /nfs/dbraw/zinc/31/33/80/198313380.db2.gz GBHQFZPDRSRCGL-UHFFFAOYSA-N 0 3 280.803 2.692 20 30 CFEDHN C=C(C)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000156818624 188283623 /nfs/dbraw/zinc/28/36/23/188283623.db2.gz DJNDIUQEEHIGBI-MRXNPFEDSA-N 0 3 287.407 2.699 20 30 CFEDHN COc1cccc([C@H](C)NC[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000271681443 191273532 /nfs/dbraw/zinc/27/35/32/191273532.db2.gz OYJSQINNSPZYQK-SCLBCKFNSA-N 0 3 296.370 2.951 20 30 CFEDHN O[C@H]1CCN(CC#Cc2ccc(F)cc2)C12CCCC2 ZINC000292574781 198338510 /nfs/dbraw/zinc/33/85/10/198338510.db2.gz BXXUIOXSTAMSSH-INIZCTEOSA-N 0 3 273.351 2.557 20 30 CFEDHN C=C[C@@H](C)NCc1ccnn1CCc1ccccc1 ZINC000621341000 353328771 /nfs/dbraw/zinc/32/87/71/353328771.db2.gz YAADLBPEJZQXIQ-CQSZACIVSA-N 0 3 255.365 2.790 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)CCc1nccs1 ZINC000157593535 188326522 /nfs/dbraw/zinc/32/65/22/188326522.db2.gz YGCURQZSYLBDBI-UHFFFAOYSA-N 0 3 287.388 2.568 20 30 CFEDHN C#CC[C@H](NCCCC(=O)OCC)c1ccccc1 ZINC000271692289 191279159 /nfs/dbraw/zinc/27/91/59/191279159.db2.gz KRCHBQRCTJAPHA-HNNXBMFYSA-N 0 3 259.349 2.684 20 30 CFEDHN CC(C)[C@H]1N(Cc2cc(C#N)n(C)c2)CC12CCC2 ZINC000292694170 198378783 /nfs/dbraw/zinc/37/87/83/198378783.db2.gz BQDOSDBRGUBMMU-OAHLLOKOSA-N 0 3 257.381 2.907 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292695336 198379846 /nfs/dbraw/zinc/37/98/46/198379846.db2.gz KMEFWYPKKCLFBZ-IRXDYDNUSA-N 0 3 289.419 2.807 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000158640888 188387137 /nfs/dbraw/zinc/38/71/37/188387137.db2.gz JSSQNKHFBYDHRE-CQSZACIVSA-N 0 3 286.375 2.582 20 30 CFEDHN C=CC[C@H](C)[C@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623233203 353598326 /nfs/dbraw/zinc/59/83/26/353598326.db2.gz RNYHRVJOUYPIJI-HEHGZKQESA-N 0 3 272.392 2.890 20 30 CFEDHN CCCCOC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000271706260 191283588 /nfs/dbraw/zinc/28/35/88/191283588.db2.gz VAHCLRRTJMWYIE-ZDUSSCGKSA-N 0 3 274.364 2.942 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OC2CC2)c1 ZINC000623539636 353667218 /nfs/dbraw/zinc/66/72/18/353667218.db2.gz YDJXBKXKZOIFEH-CABCVRRESA-N 0 3 289.375 2.670 20 30 CFEDHN C=CCOc1c(Cl)cc(CN[C@H]2C[C@@H](O)C2)cc1OC ZINC000623542974 353668443 /nfs/dbraw/zinc/66/84/43/353668443.db2.gz YVFWAXGWCHWLGP-TXEJJXNPSA-N 0 3 297.782 2.526 20 30 CFEDHN C=CC(C)(C)CCNCc1ccc(S(C)(=O)=O)s1 ZINC000623593224 353680534 /nfs/dbraw/zinc/68/05/34/353680534.db2.gz ZIZZPPPTMXSPMG-UHFFFAOYSA-N 0 3 287.450 2.844 20 30 CFEDHN C=CC(C)(C)CCNCc1ncc(COC)s1 ZINC000623593109 353680588 /nfs/dbraw/zinc/68/05/88/353680588.db2.gz TVAPORADDKPLEW-UHFFFAOYSA-N 0 3 254.399 2.981 20 30 CFEDHN C=CCCn1cc(CNCC[C@H]2CC=CCC2)nn1 ZINC000623698488 353707497 /nfs/dbraw/zinc/70/74/97/353707497.db2.gz INLCOUUOMLXWLP-AWEZNQCLSA-N 0 3 260.385 2.690 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000623753271 353719683 /nfs/dbraw/zinc/71/96/83/353719683.db2.gz VGNOCFHSMPBGNY-NVXWUHKLSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000624316345 353860862 /nfs/dbraw/zinc/86/08/62/353860862.db2.gz OFXMJVUADAWXPX-OAGGEKHMSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCCOCC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000624262979 353851306 /nfs/dbraw/zinc/85/13/06/353851306.db2.gz LFDCKUFFVGIDSR-UHFFFAOYSA-N 0 3 296.455 2.550 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000624783519 353945389 /nfs/dbraw/zinc/94/53/89/353945389.db2.gz FXQHMZLRBOPKRK-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(CC)Cc2ccccc2)C1 ZINC000625699389 354088058 /nfs/dbraw/zinc/08/80/58/354088058.db2.gz DOODEUHMNOXAIC-INIZCTEOSA-N 0 3 286.419 2.933 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000625700522 354088862 /nfs/dbraw/zinc/08/88/62/354088862.db2.gz JSONOVWAPXCVDI-ZDUSSCGKSA-N 0 3 270.380 2.675 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccc(CC)s2)C1 ZINC000625701375 354089370 /nfs/dbraw/zinc/08/93/70/354089370.db2.gz QPDJYJUACHMYAD-ZDUSSCGKSA-N 0 3 292.448 2.825 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000625700288 354089413 /nfs/dbraw/zinc/08/94/13/354089413.db2.gz KDTRLJVUZQKUFX-HNNXBMFYSA-N 0 3 272.392 2.543 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCc2sccc2C)C1 ZINC000625700584 354089431 /nfs/dbraw/zinc/08/94/31/354089431.db2.gz KWPSNBDWWLWDOP-ZDUSSCGKSA-N 0 3 278.421 2.571 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000625703115 354090245 /nfs/dbraw/zinc/09/02/45/354090245.db2.gz LKVCXDKKYYIACB-AWEZNQCLSA-N 0 3 258.365 2.832 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000625704067 354091678 /nfs/dbraw/zinc/09/16/78/354091678.db2.gz RRIBYGVGIGIWDJ-CQSZACIVSA-N 0 3 290.382 2.682 20 30 CFEDHN C=CCOc1c(Cl)cc(CN(CC)CCO)cc1OC ZINC000628119434 354438408 /nfs/dbraw/zinc/43/84/08/354438408.db2.gz SAISUFCMALVTOT-UHFFFAOYSA-N 0 3 299.798 2.728 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000628965254 354709976 /nfs/dbraw/zinc/70/99/76/354709976.db2.gz BEHFRPMDDVYPOR-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000330263949 283058561 /nfs/dbraw/zinc/05/85/61/283058561.db2.gz XGTWMMQDDLCRMI-HIFRSBDPSA-N 0 3 295.390 2.601 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000349308531 283059122 /nfs/dbraw/zinc/05/91/22/283059122.db2.gz ABLNFWJVPKYXLR-OSMZGAPFSA-N 0 3 260.312 2.931 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC=C(c3cccnc3)C2)C1 ZINC000336272161 283067452 /nfs/dbraw/zinc/06/74/52/283067452.db2.gz UJTGVZCKSHYYCF-BBRMVZONSA-N 0 3 253.349 2.863 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@@H]2CCO[C@H]21 ZINC000271822289 191348011 /nfs/dbraw/zinc/34/80/11/191348011.db2.gz CMMXAETXKNWZII-NWANDNLSSA-N 0 3 274.339 2.600 20 30 CFEDHN C=C(C)CCNCc1ccncc1Br ZINC000631148570 355316224 /nfs/dbraw/zinc/31/62/24/355316224.db2.gz GKJZVNCWRWXGRJ-UHFFFAOYSA-N 0 3 255.159 2.900 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(OC)c(OC)cc1Cl ZINC000631154361 355318945 /nfs/dbraw/zinc/31/89/45/355318945.db2.gz WOJAEFZXFLAHHO-GFCCVEGCSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CC[C@H](C)NCc1ccncc1Br ZINC000631075186 355276757 /nfs/dbraw/zinc/27/67/57/355276757.db2.gz NOIYRYUURGQBAE-VIFPVBQESA-N 0 3 255.159 2.898 20 30 CFEDHN C=CCC[C@H](CCC)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631695511 355550206 /nfs/dbraw/zinc/55/02/06/355550206.db2.gz GSAWEIHTNCYGGR-AWEZNQCLSA-N 0 3 292.427 2.923 20 30 CFEDHN C=CCC[C@H](CCC)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631695511 355550211 /nfs/dbraw/zinc/55/02/11/355550211.db2.gz GSAWEIHTNCYGGR-AWEZNQCLSA-N 0 3 292.427 2.923 20 30 CFEDHN C=C(C)COCCN[C@H]1CCc2cc(OC)ccc21 ZINC000631598975 355509242 /nfs/dbraw/zinc/50/92/42/355509242.db2.gz HBFPTOYQXAWQJB-INIZCTEOSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](CC)c1cccc(OC)c1OC ZINC000631602872 355511425 /nfs/dbraw/zinc/51/14/25/355511425.db2.gz JGKOHXNGMXKSPS-UKRRQHHQSA-N 0 3 293.407 2.929 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631602612 355511487 /nfs/dbraw/zinc/51/14/87/355511487.db2.gz HHDXGEXLUZVBEN-DZGCQCFKSA-N 0 3 291.391 2.683 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CC2CCC2)CC1 ZINC000633039978 355792278 /nfs/dbraw/zinc/79/22/78/355792278.db2.gz FRRWOVHIPVAXNL-ZDUSSCGKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000633085807 355800635 /nfs/dbraw/zinc/80/06/35/355800635.db2.gz UNVRTZYBDAYMSQ-ZDUSSCGKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000633411482 355895439 /nfs/dbraw/zinc/89/54/39/355895439.db2.gz TWGADSKRVYIUMZ-KRWDZBQOSA-N 0 3 293.455 2.716 20 30 CFEDHN CCN1CCC(Nc2ncc(Cl)c(C)c2C#N)CC1 ZINC000272979339 192005603 /nfs/dbraw/zinc/00/56/03/192005603.db2.gz CSFJNMVGQFJKBU-UHFFFAOYSA-N 0 3 278.787 2.811 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000273520716 192186096 /nfs/dbraw/zinc/18/60/96/192186096.db2.gz SMEXQHCYCDLCRI-INIZCTEOSA-N 0 3 297.402 2.581 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC3(C2)CCCCC3)cc1 ZINC000273698491 192267954 /nfs/dbraw/zinc/26/79/54/192267954.db2.gz NGPFRMLBKINLRU-INIZCTEOSA-N 0 3 270.376 2.858 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000061702220 126332491 /nfs/dbraw/zinc/33/24/91/126332491.db2.gz CWCWGTTZUXEKNI-INIZCTEOSA-N 0 3 279.343 2.607 20 30 CFEDHN N#Cc1cccc(Cl)c1N1CC[C@H](N2CCCC2)C1 ZINC000301410344 283207336 /nfs/dbraw/zinc/20/73/36/283207336.db2.gz OSGPKQQIMIPGEQ-ZDUSSCGKSA-N 0 3 275.783 2.886 20 30 CFEDHN CCCN(CCC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000355476100 283215141 /nfs/dbraw/zinc/21/51/41/283215141.db2.gz BUQRUGDQNSHCTN-CQSZACIVSA-N 0 3 279.428 2.840 20 30 CFEDHN N#Cc1cccc(C2(NCCc3cscn3)CC2)c1 ZINC000294862317 199218312 /nfs/dbraw/zinc/21/83/12/199218312.db2.gz AFDPSEONGYBIAX-UHFFFAOYSA-N 0 3 269.373 2.836 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294853574 199214720 /nfs/dbraw/zinc/21/47/20/199214720.db2.gz SOUYRFQHPPSOIS-ZWNOBZJWSA-N 0 3 260.316 2.587 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000343472341 540430090 /nfs/dbraw/zinc/43/00/90/540430090.db2.gz FWSASABOAQHDLZ-GJZGRUSLSA-N 0 3 285.391 2.708 20 30 CFEDHN C=CCCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000665940643 540468704 /nfs/dbraw/zinc/46/87/04/540468704.db2.gz IASOPCBRHKSQGT-QGZVFWFLSA-N 0 3 287.407 2.526 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(Cl)cn1 ZINC000274921017 192842252 /nfs/dbraw/zinc/84/22/52/192842252.db2.gz PBMHXZPDTLWIKZ-JTQLQIEISA-N 0 3 254.786 2.752 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000296883994 200024951 /nfs/dbraw/zinc/02/49/51/200024951.db2.gz PZLSPPSHDXWUOF-XJKCOSOUSA-N 0 3 261.365 2.907 20 30 CFEDHN CCC[C@@H](O)CN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000297276626 200132602 /nfs/dbraw/zinc/13/26/02/200132602.db2.gz XDMVTLNSVYDGQF-OAHLLOKOSA-N 0 3 288.391 2.562 20 30 CFEDHN CCN1CCCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000297324574 200149093 /nfs/dbraw/zinc/14/90/93/200149093.db2.gz ZTRIKFHNXVJQRS-UHFFFAOYSA-N 0 3 294.402 2.947 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](C)c2nccn2CC)CC1 ZINC000297731251 200270375 /nfs/dbraw/zinc/27/03/75/200270375.db2.gz NPHHIXVABUBYFU-AWEZNQCLSA-N 0 3 276.428 2.594 20 30 CFEDHN CC[C@@H](CNCc1ccc(C#N)s1)N1CCCC1 ZINC000176946472 189016592 /nfs/dbraw/zinc/01/65/92/189016592.db2.gz OQOQPUOZNBZEMG-LBPRGKRZSA-N 0 3 263.410 2.584 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000298333832 200398554 /nfs/dbraw/zinc/39/85/54/200398554.db2.gz ZHSJPVWXMIUZEA-KRWDZBQOSA-N 0 3 277.408 2.708 20 30 CFEDHN N#Cc1ccc(CNCCC(=O)N2CCCCCC2)s1 ZINC000176959038 189017101 /nfs/dbraw/zinc/01/71/01/189017101.db2.gz YQGRHQDXGZUCAY-UHFFFAOYSA-N 0 3 291.420 2.502 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H](O)c1ccc(F)cc1 ZINC000176970968 189017623 /nfs/dbraw/zinc/01/76/23/189017623.db2.gz QAHIAGGRKJSOCL-ZUZCIYMTSA-N 0 3 290.363 2.971 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)s1)c1cccs1 ZINC000176974090 189018025 /nfs/dbraw/zinc/01/80/25/189018025.db2.gz RNGBDJCNGVQDMG-ZDUSSCGKSA-N 0 3 278.402 2.679 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)s2)CCCC[C@H]1O ZINC000176981860 189018511 /nfs/dbraw/zinc/01/85/11/189018511.db2.gz VWZNSFBWBVVEEU-KGLIPLIRSA-N 0 3 264.394 2.651 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000177777431 189069412 /nfs/dbraw/zinc/06/94/12/189069412.db2.gz IUOVPLLZSIZKIA-UHFFFAOYSA-N 0 3 278.396 2.835 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)[C@H]1C ZINC000177896345 189077095 /nfs/dbraw/zinc/07/70/95/189077095.db2.gz RGUJQZWUPYCTKN-UPJWGTAASA-N 0 3 271.364 2.616 20 30 CFEDHN CN1CC[C@@H](C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000522138144 540736000 /nfs/dbraw/zinc/73/60/00/540736000.db2.gz GBRPRSWRGJHQQI-GDBMZVCRSA-N 0 3 299.418 2.617 20 30 CFEDHN CCN(CCn1ccnc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179240907 189179880 /nfs/dbraw/zinc/17/98/80/189179880.db2.gz OKUQYDVEBBNEEE-AWEZNQCLSA-N 0 3 268.364 2.838 20 30 CFEDHN C=C(C)CN[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179659122 189211028 /nfs/dbraw/zinc/21/10/28/189211028.db2.gz KMCCJSMZHDCPPQ-ZDUSSCGKSA-N 0 3 288.391 2.571 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](OC)C2)c1 ZINC000179667394 189211878 /nfs/dbraw/zinc/21/18/78/189211878.db2.gz BWPCIPOBVOMATO-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN C#CCCCCC(=O)Nc1cccc(CN(C)C)c1 ZINC000179738407 189217189 /nfs/dbraw/zinc/21/71/89/189217189.db2.gz MXSJKNMMAQYTAE-UHFFFAOYSA-N 0 3 258.365 2.880 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000451678859 383680968 /nfs/dbraw/zinc/68/09/68/383680968.db2.gz XLDRCSUWJOICBB-CABCVRRESA-N 0 3 260.312 2.521 20 30 CFEDHN COCC#CCN[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000671742751 541063353 /nfs/dbraw/zinc/06/33/53/541063353.db2.gz HWJIPLVBSJUKIZ-JKSUJKDBSA-N 0 3 295.329 2.504 20 30 CFEDHN CC(C)(C)OC(=O)NCCCCNCc1ccc(C#N)o1 ZINC000183096039 189346425 /nfs/dbraw/zinc/34/64/25/189346425.db2.gz NYRLDIVWJMMDND-UHFFFAOYSA-N 0 3 293.367 2.546 20 30 CFEDHN COC(=O)C1(CNCc2ccc(C#N)cc2)CCCCC1 ZINC000183235095 189351168 /nfs/dbraw/zinc/35/11/68/189351168.db2.gz MMNFYFJZJZIOEM-UHFFFAOYSA-N 0 3 286.375 2.771 20 30 CFEDHN C=CCC[C@H](NCCc1nncn1CC)c1ccco1 ZINC000671752152 541081148 /nfs/dbraw/zinc/08/11/48/541081148.db2.gz DBKRTQGARHPJPC-ZDUSSCGKSA-N 0 3 274.368 2.731 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NC[C@@H](C1CC1)N(C)C ZINC000302073313 201332486 /nfs/dbraw/zinc/33/24/86/201332486.db2.gz ZTTRKSDAYHZGJW-INIZCTEOSA-N 0 3 271.364 2.513 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cscc1Br ZINC000320149957 541289165 /nfs/dbraw/zinc/28/91/65/541289165.db2.gz CRRIMARQWWKJON-JTQLQIEISA-N 0 3 290.226 2.927 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667868760 541331783 /nfs/dbraw/zinc/33/17/83/541331783.db2.gz DSQCERNSPLJJGP-RDJZCZTQSA-N 0 3 273.376 2.909 20 30 CFEDHN CN(C)C1(CN(C)C(=O)/C=C/c2ccc(C#N)cc2)CCC1 ZINC000275745821 193118785 /nfs/dbraw/zinc/11/87/85/193118785.db2.gz MUZKHSDXOGJDJA-MDZDMXLPSA-N 0 3 297.402 2.514 20 30 CFEDHN COCC1(C)CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442840096 241007832 /nfs/dbraw/zinc/00/78/32/241007832.db2.gz VWSSWHGOSWCNAF-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)s1 ZINC000443791204 241089028 /nfs/dbraw/zinc/08/90/28/241089028.db2.gz PXPLAUHYHOPWRR-JTNHKYCSSA-N 0 3 264.394 2.601 20 30 CFEDHN Cc1cc(CNCC2([C@@H](O)C(C)C)CC2)ccc1C#N ZINC000443986154 241103194 /nfs/dbraw/zinc/10/31/94/241103194.db2.gz HUEMUWZIVPEOCT-INIZCTEOSA-N 0 3 272.392 2.753 20 30 CFEDHN Cc1cc(CN[C@H](C)[C@@H]2CCCCO2)ccc1C#N ZINC000444002956 241106386 /nfs/dbraw/zinc/10/63/86/241106386.db2.gz QFLXIYOKSIESHO-CJNGLKHVSA-N 0 3 258.365 2.914 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000443318359 241053550 /nfs/dbraw/zinc/05/35/50/241053550.db2.gz JPFPMDIJXNFNKI-HSMVNMDESA-N 0 3 276.355 2.679 20 30 CFEDHN CC(C)C(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)C ZINC000447016404 241346485 /nfs/dbraw/zinc/34/64/85/241346485.db2.gz JEGXIVZZLJRAAS-MRXNPFEDSA-N 0 3 287.407 2.602 20 30 CFEDHN C[C@]1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCC[C@@H]1O ZINC000329811888 291376692 /nfs/dbraw/zinc/37/66/92/291376692.db2.gz CVTCCSSWMRPMOY-YQQAZPJKSA-N 0 3 294.439 2.759 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C2CCCC2)CC1 ZINC000674091795 541539145 /nfs/dbraw/zinc/53/91/45/541539145.db2.gz XHIKCQYHXDDJLY-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN N#Cc1ccc2ncc(CN3C[C@H](C4CC4)[C@@H]3C3CC3)n2c1 ZINC000449533309 242010157 /nfs/dbraw/zinc/01/01/57/242010157.db2.gz FHPXMGBEPKYRHY-AEFFLSMTSA-N 0 3 292.386 2.826 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000449553945 242025095 /nfs/dbraw/zinc/02/50/95/242025095.db2.gz NDLCJJURHFLPNF-BRWVUGGUSA-N 0 3 270.376 2.541 20 30 CFEDHN CC1(C)CCCN1CCNCc1ccc(C#N)s1 ZINC000449781731 242160095 /nfs/dbraw/zinc/16/00/95/242160095.db2.gz JLEOJJRTDISLJW-UHFFFAOYSA-N 0 3 263.410 2.584 20 30 CFEDHN Cc1ccc(NC(=O)c2ccc(C#N)n2C)c(CN(C)C)c1 ZINC000449860289 242189129 /nfs/dbraw/zinc/18/91/29/242189129.db2.gz JGBUMWYKGLPWJY-UHFFFAOYSA-N 0 3 296.374 2.519 20 30 CFEDHN C=CCCN(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000276033136 193194974 /nfs/dbraw/zinc/19/49/74/193194974.db2.gz DQRFVXSSZMGCQF-HNNXBMFYSA-N 0 3 289.423 2.724 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)N(CCN(C)C)C(C)C)c1 ZINC000455950395 244036770 /nfs/dbraw/zinc/03/67/70/244036770.db2.gz GAWDFMRIMXMHEH-UHFFFAOYSA-N 0 3 288.395 2.671 20 30 CFEDHN C[C@H](C(=O)NCCN1CCCC1(C)C)c1cccc(C#N)c1 ZINC000457053042 244371240 /nfs/dbraw/zinc/37/12/40/244371240.db2.gz JRDSTUYEZYDDLD-AWEZNQCLSA-N 0 3 299.418 2.652 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000276359007 193299041 /nfs/dbraw/zinc/29/90/41/193299041.db2.gz ITSJZNPIZRYIPQ-HNNXBMFYSA-N 0 3 275.396 2.507 20 30 CFEDHN N#CC(C(=O)c1ccc2c(n1)CCCC2)c1ccccn1 ZINC000676771818 541792139 /nfs/dbraw/zinc/79/21/39/541792139.db2.gz QXATXWDXWNCRFN-ZDUSSCGKSA-N 0 3 277.327 2.845 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCOc1cccc(Cl)c1 ZINC000677046990 541812938 /nfs/dbraw/zinc/81/29/38/541812938.db2.gz NPRHAIGUEKAPNW-CQSZACIVSA-N 0 3 269.772 2.588 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCc1ccc(Br)cc1 ZINC000677047673 541813543 /nfs/dbraw/zinc/81/35/43/541813543.db2.gz FLCTYZBAIWKPHK-CQSZACIVSA-N 0 3 298.224 2.860 20 30 CFEDHN COCC#CCN1CCC(Cc2ccccc2)CC1 ZINC000677132784 541826076 /nfs/dbraw/zinc/82/60/76/541826076.db2.gz REPGBMRLBYBTBA-UHFFFAOYSA-N 0 3 257.377 2.591 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1C[C@H](OC)C12CCC2 ZINC000459768734 245314323 /nfs/dbraw/zinc/31/43/23/245314323.db2.gz QQSPZHOLKRCSGL-CVEARBPZSA-N 0 3 286.375 2.614 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000459798768 245332990 /nfs/dbraw/zinc/33/29/90/245332990.db2.gz XWYPOLASGFAKKT-QWHCGFSZSA-N 0 3 262.378 2.667 20 30 CFEDHN CCOc1cc(C#N)ccc1OCCN1CCCCC1 ZINC000011994735 371940462 /nfs/dbraw/zinc/94/04/62/371940462.db2.gz POIHAZMUULXPKH-UHFFFAOYSA-N 0 3 274.364 2.822 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H]2CCCCN2C2CC2)n1 ZINC000277552314 193688844 /nfs/dbraw/zinc/68/88/44/193688844.db2.gz XUGQGEXSFYJRKO-HNNXBMFYSA-N 0 3 270.380 2.691 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000677477071 541864494 /nfs/dbraw/zinc/86/44/94/541864494.db2.gz OXQRPWBUBHHBBO-OAHLLOKOSA-N 0 3 284.403 2.683 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000677478174 541864506 /nfs/dbraw/zinc/86/45/06/541864506.db2.gz PYGBCMICWGEEEE-HRCADAONSA-N 0 3 278.440 2.805 20 30 CFEDHN COCC#CCN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000677479539 541865647 /nfs/dbraw/zinc/86/56/47/541865647.db2.gz OPULJDHXMMSSMX-QGZVFWFLSA-N 0 3 255.361 2.788 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)CC#CCOC)C12CCCCC2 ZINC000677480908 541865980 /nfs/dbraw/zinc/86/59/80/541865980.db2.gz XHBVJRUADTXOMQ-HZPDHXFCSA-N 0 3 279.424 2.696 20 30 CFEDHN CCCN(CC#CCOC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000677480793 541864764 /nfs/dbraw/zinc/86/47/64/541864764.db2.gz VLRHDCPYAIEUFF-HUUCEWRRSA-N 0 3 267.413 2.552 20 30 CFEDHN C=C(C)[C@H](CO)N1Cc2ccccc2OC(C)(C)C1 ZINC000677505739 541869238 /nfs/dbraw/zinc/86/92/38/541869238.db2.gz OGXQWLMDVDNBJJ-AWEZNQCLSA-N 0 3 261.365 2.597 20 30 CFEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000023386514 372257736 /nfs/dbraw/zinc/25/77/36/372257736.db2.gz IYTDVPANCMJQDP-PBHICJAKSA-N 0 3 296.370 2.649 20 30 CFEDHN CC(C)C[C@H](CNC(=O)Nc1ccc(C#N)cc1)N(C)C ZINC000024679922 372279986 /nfs/dbraw/zinc/27/99/86/372279986.db2.gz HMPKQNMMWIVIOD-OAHLLOKOSA-N 0 3 288.395 2.656 20 30 CFEDHN Cc1cccc(C)c1[C@H](C)NCCC(=O)N(C)CCC#N ZINC000355064713 227361098 /nfs/dbraw/zinc/36/10/98/227361098.db2.gz SSTHBBRLCCKHMB-HNNXBMFYSA-N 0 3 287.407 2.716 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)CCc1ccccn1 ZINC000034652508 372512787 /nfs/dbraw/zinc/51/27/87/372512787.db2.gz ZVLMYAHTSHIAHF-UHFFFAOYSA-N 0 3 281.359 2.507 20 30 CFEDHN CC[C@H](C)N(CC)CC(=O)Nc1cccc(C#N)c1 ZINC000037113082 372650109 /nfs/dbraw/zinc/65/01/09/372650109.db2.gz NYRNWZSRTCBAGY-LBPRGKRZSA-N 0 3 259.353 2.617 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc(Br)c1 ZINC000044824289 373010159 /nfs/dbraw/zinc/01/01/59/373010159.db2.gz BTNLXRIZSZBRNS-SECBINFHSA-N 0 3 281.153 2.567 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COc1cc(C)ccc1C ZINC000046345391 373051950 /nfs/dbraw/zinc/05/19/50/373051950.db2.gz SFTOIBUMLMAVFD-MRXNPFEDSA-N 0 3 275.392 2.717 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)CCc1ccncc1 ZINC000048260063 373154279 /nfs/dbraw/zinc/15/42/79/373154279.db2.gz QTJVORXWGKIQIV-UHFFFAOYSA-N 0 3 281.359 2.507 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000193354232 284382183 /nfs/dbraw/zinc/38/21/83/284382183.db2.gz SISPXNZSADGUSP-BYCMXARLSA-N 0 3 272.348 2.551 20 30 CFEDHN CN(CCC(=O)N(C)CCC#N)Cc1ccc(Cl)cc1 ZINC000048880159 373229535 /nfs/dbraw/zinc/22/95/35/373229535.db2.gz PBGGWSKFHZSCJT-UHFFFAOYSA-N 0 3 293.798 2.534 20 30 CFEDHN Cc1nc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1C#N ZINC000487768538 245783168 /nfs/dbraw/zinc/78/31/68/245783168.db2.gz JETDWBYWQKVXOF-KBXCAEBGSA-N 0 3 294.402 2.787 20 30 CFEDHN N#CCCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000052866037 373453728 /nfs/dbraw/zinc/45/37/28/373453728.db2.gz IYPWRABRIWMHAH-INIZCTEOSA-N 0 3 258.365 2.971 20 30 CFEDHN C=CCN(CCC(=O)OCC)Cc1cccs1 ZINC000053420125 373476485 /nfs/dbraw/zinc/47/64/85/373476485.db2.gz MAZUWWXHBYAGCR-UHFFFAOYSA-N 0 3 253.367 2.689 20 30 CFEDHN CC[C@H](CC#N)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000054183332 373503811 /nfs/dbraw/zinc/50/38/11/373503811.db2.gz XGFYBYGMFVXMST-HZPDHXFCSA-N 0 3 257.381 2.543 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H](C)COC)ccc1OC ZINC000057958547 373618268 /nfs/dbraw/zinc/61/82/68/373618268.db2.gz KPYKBNGUNZMGLM-ZDUSSCGKSA-N 0 3 279.380 2.775 20 30 CFEDHN CCN(CCn1cccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066422015 373930311 /nfs/dbraw/zinc/93/03/11/373930311.db2.gz MJNSRSYXVWWVDD-AWEZNQCLSA-N 0 3 268.364 2.838 20 30 CFEDHN C[C@@H](O)CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000067182435 373971592 /nfs/dbraw/zinc/97/15/92/373971592.db2.gz SMTBVMSIUZBIGO-CQSZACIVSA-N 0 3 296.370 2.608 20 30 CFEDHN Cc1cc(C)n(CCN(C)Cc2ccc(C#N)cc2)n1 ZINC000068806056 374038401 /nfs/dbraw/zinc/03/84/01/374038401.db2.gz LITVIUWYDQRKQY-UHFFFAOYSA-N 0 3 268.364 2.504 20 30 CFEDHN C[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000068838095 374040175 /nfs/dbraw/zinc/04/01/75/374040175.db2.gz ZBKKZBSXPWAIFV-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN N#Cc1ccc(CNCCOC2CCCCC2)cc1 ZINC000070168073 374135825 /nfs/dbraw/zinc/13/58/25/374135825.db2.gz IYQDRDPBMVHXPN-UHFFFAOYSA-N 0 3 258.365 2.997 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000490919045 246031215 /nfs/dbraw/zinc/03/12/15/246031215.db2.gz HDHXCIIKHJOYGK-FJVVXJACSA-N 0 3 297.402 2.562 20 30 CFEDHN COCC#CCN1CCc2ccccc2[C@H]1C(C)C ZINC000677820620 541910816 /nfs/dbraw/zinc/91/08/16/541910816.db2.gz RCLFJDKBNFMNIR-QGZVFWFLSA-N 0 3 257.377 2.892 20 30 CFEDHN CC(C)[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000072879375 374296974 /nfs/dbraw/zinc/29/69/74/374296974.db2.gz IYOGEULMOYVGSY-GDBMZVCRSA-N 0 3 287.407 2.734 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](CCO)CC(C)C ZINC000072924403 374302907 /nfs/dbraw/zinc/30/29/07/374302907.db2.gz SQDYGUIZYQINPD-INIZCTEOSA-N 0 3 289.419 2.833 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCC#Cc2ccccc2)cc1 ZINC000073446155 374343830 /nfs/dbraw/zinc/34/38/30/374343830.db2.gz IANFJHMGEBJVRB-UHFFFAOYSA-N 0 3 292.382 2.530 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(C)CC1 ZINC000073693461 374370376 /nfs/dbraw/zinc/37/03/76/374370376.db2.gz UMAOTCXXBFARJN-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C=CCCCCN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000574519977 335026131 /nfs/dbraw/zinc/02/61/31/335026131.db2.gz PQDURXQWNCGQNL-KGLIPLIRSA-N 0 3 273.442 2.630 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)CC[C@@H]1C ZINC000076149643 374537142 /nfs/dbraw/zinc/53/71/42/374537142.db2.gz DITHYIOGJWGOGU-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@@H](N2CCCC2=O)C1 ZINC000574512843 335025230 /nfs/dbraw/zinc/02/52/30/335025230.db2.gz NAVOGHQXTLTJBR-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1ccccc1C ZINC000076737082 374555701 /nfs/dbraw/zinc/55/57/01/374555701.db2.gz ZBAXOINWXGRZCB-OAHLLOKOSA-N 0 3 274.408 2.898 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000076734400 374556224 /nfs/dbraw/zinc/55/62/24/374556224.db2.gz FLZAPJMAJAVHOI-SLTAFYQDSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000076734396 374557063 /nfs/dbraw/zinc/55/70/63/374557063.db2.gz FLZAPJMAJAVHOI-SHARSMKWSA-N 0 3 266.429 2.968 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(CCC(C)C)C1CC1 ZINC000076904437 374558673 /nfs/dbraw/zinc/55/86/73/374558673.db2.gz UZAYEHDUTLWTIJ-AWEZNQCLSA-N 0 3 279.428 2.505 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000451776021 383703384 /nfs/dbraw/zinc/70/33/84/383703384.db2.gz SKOUWHHVXWJGRQ-HIFRSBDPSA-N 0 3 290.338 2.519 20 30 CFEDHN CC(C)(CNC(=O)c1cc(C#N)cs1)N1CCCCC1 ZINC000084179786 374767008 /nfs/dbraw/zinc/76/70/08/374767008.db2.gz XIFJJDZFPDGFJU-UHFFFAOYSA-N 0 3 291.420 2.614 20 30 CFEDHN C=CCC[C@@H](NCc1c(CC)nn(C)c1OC)C1CC1 ZINC000089212339 374888983 /nfs/dbraw/zinc/88/89/83/374888983.db2.gz KZXLRIFYOQCPPH-OAHLLOKOSA-N 0 3 277.412 2.826 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cncc(F)c1 ZINC000090106621 374991738 /nfs/dbraw/zinc/99/17/38/374991738.db2.gz YZAWOPNCTBXQMU-GFCCVEGCSA-N 0 3 285.322 2.822 20 30 CFEDHN Cc1nsc(N[C@@H](C)CN2CCCCC2)c1C#N ZINC000092912571 375167653 /nfs/dbraw/zinc/16/76/53/375167653.db2.gz QLWLEKROHRVXEV-JTQLQIEISA-N 0 3 264.398 2.610 20 30 CFEDHN C=CC1CCN(Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000093359203 375219652 /nfs/dbraw/zinc/21/96/52/375219652.db2.gz HHDVKAWYMSBPFS-UHFFFAOYSA-N 0 3 289.375 2.864 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000264192705 383706812 /nfs/dbraw/zinc/70/68/12/383706812.db2.gz FWBGEEZBFVDXIO-UHFFFAOYSA-N 0 3 273.380 2.849 20 30 CFEDHN C#CCN1CCC(C(=O)NCCCC2CCCCC2)CC1 ZINC000098093435 375602052 /nfs/dbraw/zinc/60/20/52/375602052.db2.gz LIBWGMKIXKHHGA-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(C)CCC1CCCCC1 ZINC000101565856 375641409 /nfs/dbraw/zinc/64/14/09/375641409.db2.gz KQJJROJUPFJVAI-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cc(CCN[C@@H](C)c2cccc(C#N)c2)on1 ZINC000507276728 247171842 /nfs/dbraw/zinc/17/18/42/247171842.db2.gz GOBGOUKNJQWMCJ-LBPRGKRZSA-N 0 3 255.321 2.748 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(SCC)cc1 ZINC000103499758 375753709 /nfs/dbraw/zinc/75/37/09/375753709.db2.gz WOASEFHFNQRFSP-CHWSQXEVSA-N 0 3 290.432 2.587 20 30 CFEDHN C=CCNC(=O)CNC1(c2cccc(C)c2)CCCC1 ZINC000104076730 375767393 /nfs/dbraw/zinc/76/73/93/375767393.db2.gz SBJFHIVUUYXBDU-UHFFFAOYSA-N 0 3 272.392 2.656 20 30 CFEDHN COCC#CCN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000678722055 542061552 /nfs/dbraw/zinc/06/15/52/542061552.db2.gz RVBYCACPFKEBLF-HNNXBMFYSA-N 0 3 297.402 2.701 20 30 CFEDHN COCC#CCN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678722055 542061556 /nfs/dbraw/zinc/06/15/56/542061556.db2.gz RVBYCACPFKEBLF-HNNXBMFYSA-N 0 3 297.402 2.701 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678744708 542063699 /nfs/dbraw/zinc/06/36/99/542063699.db2.gz MQMZAAFGEKABAF-WBMJQRKESA-N 0 3 288.391 2.623 20 30 CFEDHN COCC#CCN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000678741552 542063892 /nfs/dbraw/zinc/06/38/92/542063892.db2.gz LJIZXANBUZOPGP-AWEZNQCLSA-N 0 3 261.365 2.774 20 30 CFEDHN CCCOc1ccc([C@@H](C)NCC#CCOC)cc1OC ZINC000678744991 542064249 /nfs/dbraw/zinc/06/42/49/542064249.db2.gz NPJAFSOTQUBVGW-CQSZACIVSA-N 0 3 291.391 2.784 20 30 CFEDHN C=CCC[C@@H](NCC(=O)Nc1ccon1)c1ccccc1 ZINC000678785841 542069260 /nfs/dbraw/zinc/06/92/60/542069260.db2.gz TXIXWDKLBGFTEL-CQSZACIVSA-N 0 3 285.347 2.910 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H](c1ccccc1C)C(C)C ZINC000112357931 375912169 /nfs/dbraw/zinc/91/21/69/375912169.db2.gz URHVZTXNIAJBFO-QGZVFWFLSA-N 0 3 274.408 2.926 20 30 CFEDHN C=CC[C@H](C)N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000116907914 376213889 /nfs/dbraw/zinc/21/38/89/376213889.db2.gz UTBGPBAGSOBYDZ-NHYWBVRUSA-N 0 3 276.355 2.700 20 30 CFEDHN COC(=O)CCN(Cc1ccc(F)c(C#N)c1)CC(C)C ZINC000118966562 376329967 /nfs/dbraw/zinc/32/99/67/376329967.db2.gz RCKPKJSEWUOBMD-UHFFFAOYSA-N 0 3 292.354 2.718 20 30 CFEDHN CC(C)N1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118392635 376290657 /nfs/dbraw/zinc/29/06/57/376290657.db2.gz DZSLLGOABXMYLH-CQSZACIVSA-N 0 3 257.381 2.645 20 30 CFEDHN CC(C)CO[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000119587405 376440293 /nfs/dbraw/zinc/44/02/93/376440293.db2.gz KYQBXRIAYORRMX-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN N#Cc1cccc(CNCc2ccc(O)c(F)c2)c1 ZINC000120459141 376620904 /nfs/dbraw/zinc/62/09/04/376620904.db2.gz FIDSNDSJIVZFNZ-UHFFFAOYSA-N 0 3 256.280 2.693 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000120674688 376665778 /nfs/dbraw/zinc/66/57/78/376665778.db2.gz OXIFHJCCQADWLS-CQSZACIVSA-N 0 3 296.374 2.670 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000121199516 376779818 /nfs/dbraw/zinc/77/98/18/376779818.db2.gz ASDOABKSKAKXTG-OKILXGFUSA-N 0 3 256.349 2.799 20 30 CFEDHN OCC1(NCC#Cc2ccccc2Cl)CCCCC1 ZINC000678974448 542103541 /nfs/dbraw/zinc/10/35/41/542103541.db2.gz KSFPUQCHOBWPIY-UHFFFAOYSA-N 0 3 277.795 2.976 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC2(CCC2)C1 ZINC000123192136 376949192 /nfs/dbraw/zinc/94/91/92/376949192.db2.gz KXEJRMZKTPUKFG-UHFFFAOYSA-N 0 3 256.349 2.813 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125261168 377133622 /nfs/dbraw/zinc/13/36/22/377133622.db2.gz QUDQFHMGDCITSC-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)CCC[C@H]1C ZINC000125308887 377140052 /nfs/dbraw/zinc/14/00/52/377140052.db2.gz SELHGGJCAPIKQT-FMKPAKJESA-N 0 3 279.428 2.551 20 30 CFEDHN CCN(C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000126312789 377222097 /nfs/dbraw/zinc/22/20/97/377222097.db2.gz FXGWUBUICFPTCK-UHFFFAOYSA-N 0 3 262.353 2.829 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C)CC1 ZINC000126778683 377246899 /nfs/dbraw/zinc/24/68/99/377246899.db2.gz DNBYLPMRGGBXSA-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000127358096 377277627 /nfs/dbraw/zinc/27/76/27/377277627.db2.gz QUCRSVPYHNNLHT-GJZGRUSLSA-N 0 3 293.455 2.714 20 30 CFEDHN Cn1ccc(CNC2CC(C#N)(c3ccccc3)C2)c1 ZINC000127509262 377286737 /nfs/dbraw/zinc/28/67/37/377286737.db2.gz GOXUHSIYHDDSCF-UHFFFAOYSA-N 0 3 265.360 2.739 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000128910910 377361757 /nfs/dbraw/zinc/36/17/57/377361757.db2.gz HGPXEVJAUBUDPN-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1ccccc1OCC ZINC000129026255 377375676 /nfs/dbraw/zinc/37/56/76/377375676.db2.gz ZUOXIXATZHQENQ-OAHLLOKOSA-N 0 3 263.381 2.844 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@](C)(O)C1 ZINC000129481923 377434405 /nfs/dbraw/zinc/43/44/05/377434405.db2.gz JHNBWYZJOABUKH-MRXNPFEDSA-N 0 3 261.365 2.598 20 30 CFEDHN C#CCOc1ccc(CN(C)[C@H]2CCSC2)cc1 ZINC000130578111 377580415 /nfs/dbraw/zinc/58/04/15/377580415.db2.gz OZRHJORORGQBLF-AWEZNQCLSA-N 0 3 261.390 2.636 20 30 CFEDHN C=CCOc1cccc(CN2CCC(c3nnc[nH]3)CC2)c1 ZINC000130709384 377598622 /nfs/dbraw/zinc/59/86/22/377598622.db2.gz ZPHDWZVILQQTPQ-UHFFFAOYSA-N 0 3 298.390 2.749 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccc(C#N)o1 ZINC000131419612 377708840 /nfs/dbraw/zinc/70/88/40/377708840.db2.gz WCBHLSCCEODASB-UONOGXRCSA-N 0 3 262.353 2.835 20 30 CFEDHN Cc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1 ZINC000131922836 377778355 /nfs/dbraw/zinc/77/83/55/377778355.db2.gz RWVGWUKUMJYRJN-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H](CO)C(C)(C)C ZINC000134426684 378013717 /nfs/dbraw/zinc/01/37/17/378013717.db2.gz QHKDXJMILREGMJ-AWEZNQCLSA-N 0 3 264.344 2.536 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N(CC)CCC#N ZINC000135325227 378116607 /nfs/dbraw/zinc/11/66/07/378116607.db2.gz ZVBKADSOZJKTSG-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN CCC[C@@H](C)[C@H]1CCCN1CC(=O)N(CC)CCC#N ZINC000135325247 378117660 /nfs/dbraw/zinc/11/76/60/378117660.db2.gz ZVBKADSOZJKTSG-HUUCEWRRSA-N 0 3 279.428 2.649 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000135335670 378120929 /nfs/dbraw/zinc/12/09/29/378120929.db2.gz MJJMNYNRZHQNTK-JYJNAYRXSA-N 0 3 293.455 2.895 20 30 CFEDHN COc1ccc(CN[C@H]2CCCSC2)cc1C#N ZINC000135698206 378157919 /nfs/dbraw/zinc/15/79/19/378157919.db2.gz BJPDXTGQKROCQB-ZDUSSCGKSA-N 0 3 262.378 2.552 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@H](NCc2cncs2)C1 ZINC000136096803 378178909 /nfs/dbraw/zinc/17/89/09/378178909.db2.gz TVPWLHGDZFOMGJ-AWEZNQCLSA-N 0 3 298.415 2.773 20 30 CFEDHN C=CCCCCCN(C)Cc1cccc(C(N)=O)c1 ZINC000150893379 378278494 /nfs/dbraw/zinc/27/84/94/378278494.db2.gz JYRHNIXQQMWEJM-UHFFFAOYSA-N 0 3 260.381 2.964 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@@H](C)c1cnccn1)C(C)C ZINC000152069223 378389634 /nfs/dbraw/zinc/38/96/34/378389634.db2.gz CHVSLCBRXSSWFL-RDJZCZTQSA-N 0 3 288.439 2.826 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)NCc1noc2c1CCCC2 ZINC000329288102 378451818 /nfs/dbraw/zinc/45/18/18/378451818.db2.gz HQDPCNIRWNWYCX-CQSZACIVSA-N 0 3 291.395 2.884 20 30 CFEDHN C#CCSCC[NH2+]Cc1ccc(OCCC)cc1[O-] ZINC000152948575 378461290 /nfs/dbraw/zinc/46/12/90/378461290.db2.gz HLCMTEPCAUUGCD-UHFFFAOYSA-N 0 3 279.405 2.637 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC000328891994 378436524 /nfs/dbraw/zinc/43/65/24/378436524.db2.gz TVHFIVZHTKMHFX-LBPRGKRZSA-N 0 3 277.368 2.731 20 30 CFEDHN Cc1[nH]nc(C(C)C)c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329715950 378485382 /nfs/dbraw/zinc/48/53/82/378485382.db2.gz VSORSGDPQDVZSK-LLVKDONJSA-N 0 3 290.411 2.797 20 30 CFEDHN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000329715950 378485385 /nfs/dbraw/zinc/48/53/85/378485385.db2.gz VSORSGDPQDVZSK-LLVKDONJSA-N 0 3 290.411 2.797 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3C[C@@H]4CCC[C@@H]4C3)o2)c1 ZINC000329811343 378499578 /nfs/dbraw/zinc/49/95/78/378499578.db2.gz MSDSXOFYQXBXGL-GASCZTMLSA-N 0 3 294.358 2.840 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Nc2ncc(C)s2)CC1 ZINC000264353330 383730001 /nfs/dbraw/zinc/73/00/01/383730001.db2.gz DMVQPOQTLONZBR-UHFFFAOYSA-N 0 3 294.424 2.614 20 30 CFEDHN C=CCOc1ccccc1CNCCn1cnnc1C1CC1 ZINC000156225226 378636880 /nfs/dbraw/zinc/63/68/80/378636880.db2.gz IVBNILGZIMXXHY-UHFFFAOYSA-N 0 3 298.390 2.510 20 30 CFEDHN CC[C@@]1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000330999592 378612313 /nfs/dbraw/zinc/61/23/13/378612313.db2.gz PTQPWBSBXKNWDL-AEFFLSMTSA-N 0 3 295.386 2.889 20 30 CFEDHN CCC(C)(C)N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000331004500 378613238 /nfs/dbraw/zinc/61/32/38/378613238.db2.gz SBCOLHXPUHQXNX-UHFFFAOYSA-N 0 3 277.368 2.827 20 30 CFEDHN CCN(CC[C@H](C)N(CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000155328039 378622170 /nfs/dbraw/zinc/62/21/70/378622170.db2.gz FJZQLOPMTBWMBA-JYJNAYRXSA-N 0 3 278.444 2.728 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2cc(F)cc(F)c2)n1 ZINC000155401154 378625363 /nfs/dbraw/zinc/62/53/63/378625363.db2.gz KYKZFASVRNQLEB-NSHDSACASA-N 0 3 293.298 2.976 20 30 CFEDHN CC#CCCN1CCC(n2cc(Cl)cn2)CC1 ZINC000157979680 378662525 /nfs/dbraw/zinc/66/25/25/378662525.db2.gz DRAIDRUXYQQXKH-UHFFFAOYSA-N 0 3 251.761 2.587 20 30 CFEDHN C=C(C)CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158160367 378664187 /nfs/dbraw/zinc/66/41/87/378664187.db2.gz XXPAXXQXEKJNFA-MRXNPFEDSA-N 0 3 280.412 2.895 20 30 CFEDHN CC#CCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000158338961 378666016 /nfs/dbraw/zinc/66/60/16/378666016.db2.gz GWRYXGBHFKFQLU-GFCCVEGCSA-N 0 3 259.349 2.522 20 30 CFEDHN C[C@@]1(CO)CCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000331194162 378647160 /nfs/dbraw/zinc/64/71/60/378647160.db2.gz XESNWNZUKHVZKQ-CABCVRRESA-N 0 3 278.783 2.852 20 30 CFEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000160558825 378783237 /nfs/dbraw/zinc/78/32/37/378783237.db2.gz OFRUFORIYROGNL-DZKIICNBSA-N 0 3 281.444 2.797 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2CCCC[C@@H]2C)n1 ZINC000160607020 378786848 /nfs/dbraw/zinc/78/68/48/378786848.db2.gz PEBAMDQQLZUWEU-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN COCCN(Cc1ccc(F)c(C#N)c1)CC(C)C ZINC000160792065 378798156 /nfs/dbraw/zinc/79/81/56/378798156.db2.gz AZWKYYFXOAVLNI-UHFFFAOYSA-N 0 3 264.344 2.802 20 30 CFEDHN CCn1cnnc1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000161291377 378836264 /nfs/dbraw/zinc/83/62/64/378836264.db2.gz FGOMRPUWYOPYBW-MRXNPFEDSA-N 0 3 295.390 2.549 20 30 CFEDHN C=CCN1CCC(Nc2ncccc2Br)CC1 ZINC000278477442 194002345 /nfs/dbraw/zinc/00/23/45/194002345.db2.gz DWSNJFKKOBTWLJ-UHFFFAOYSA-N 0 3 296.212 2.906 20 30 CFEDHN CC(C)[C@H](CCO)NCC#Cc1cccc(Cl)c1 ZINC000161920354 378880545 /nfs/dbraw/zinc/88/05/45/378880545.db2.gz KNTINQKGFSYBNJ-HNNXBMFYSA-N 0 3 265.784 2.688 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000334140956 378896927 /nfs/dbraw/zinc/89/69/27/378896927.db2.gz ISTLVNVUNLYWPF-JQWIXIFHSA-N 0 3 262.740 2.816 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000334140957 378897235 /nfs/dbraw/zinc/89/72/35/378897235.db2.gz ISTLVNVUNLYWPF-PWSUYJOCSA-N 0 3 262.740 2.816 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000334140958 378897261 /nfs/dbraw/zinc/89/72/61/378897261.db2.gz ISTLVNVUNLYWPF-ZYHUDNBSSA-N 0 3 262.740 2.816 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000334224701 378948190 /nfs/dbraw/zinc/94/81/90/378948190.db2.gz AOVZTDMCEPNTSY-CABZTGNLSA-N 0 3 278.739 2.830 20 30 CFEDHN CCC[C@@H](CC)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000163084683 378953292 /nfs/dbraw/zinc/95/32/92/378953292.db2.gz SEXPFAZUTOUFEL-CQSZACIVSA-N 0 3 294.420 2.500 20 30 CFEDHN C=C(Cl)CN[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000163363455 378967803 /nfs/dbraw/zinc/96/78/03/378967803.db2.gz DGDFPEVBJPHBFC-LLVKDONJSA-N 0 3 269.772 2.977 20 30 CFEDHN CC(C)(C)N1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000334261623 378997753 /nfs/dbraw/zinc/99/77/53/378997753.db2.gz XZQUPOHJPDFFFD-UHFFFAOYSA-N 0 3 277.437 2.926 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(F)c(Br)c1 ZINC000166451386 379055118 /nfs/dbraw/zinc/05/51/18/379055118.db2.gz NARNRIPLXUTQKJ-MRVPVSSYSA-N 0 3 256.118 2.700 20 30 CFEDHN N#Cc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)o1 ZINC000168966219 379100205 /nfs/dbraw/zinc/10/02/05/379100205.db2.gz DHHJSRIKWDXNJN-ILXRZTDVSA-N 0 3 272.348 2.589 20 30 CFEDHN CCC(=O)N1CC[C@@H](N[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000278735558 194129716 /nfs/dbraw/zinc/12/97/16/194129716.db2.gz NAZSNOPHAIUTCN-CVEARBPZSA-N 0 3 285.391 2.610 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000289454402 197355092 /nfs/dbraw/zinc/35/50/92/197355092.db2.gz BYUBNDPPQPTBHU-SECBINFHSA-N 0 3 277.698 2.578 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000335337877 379117096 /nfs/dbraw/zinc/11/70/96/379117096.db2.gz FQCITATZOBXMDR-MUWHJKNJSA-N 0 3 285.130 2.703 20 30 CFEDHN C=CCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278769291 194147882 /nfs/dbraw/zinc/14/78/82/194147882.db2.gz UKSBATKPEAQNII-JTQLQIEISA-N 0 3 274.324 2.915 20 30 CFEDHN CC[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000278831244 194174403 /nfs/dbraw/zinc/17/44/03/194174403.db2.gz UBBACHYMAICDHL-QWHCGFSZSA-N 0 3 286.297 2.912 20 30 CFEDHN Cc1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000334410145 379249755 /nfs/dbraw/zinc/24/97/55/379249755.db2.gz KEORCFSBOZNXIE-ZDUSSCGKSA-N 0 3 272.348 2.525 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3ncccc32)CC1 ZINC000171720990 379384788 /nfs/dbraw/zinc/38/47/88/379384788.db2.gz PIMSIJPGGQBCMD-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cn(C)c3ccccc23)CC1 ZINC000171724037 379385436 /nfs/dbraw/zinc/38/54/36/379385436.db2.gz POEMQRLTMCCEKI-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334522467 379447792 /nfs/dbraw/zinc/44/77/92/379447792.db2.gz HAPHZVJBRLBUKO-VHSXEESVSA-N 0 3 274.286 2.727 20 30 CFEDHN C#CCCOc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1 ZINC000172113746 379496275 /nfs/dbraw/zinc/49/62/75/379496275.db2.gz ITVQEJPVFWDEEL-AWEZNQCLSA-N 0 3 297.402 2.981 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000334570771 379551168 /nfs/dbraw/zinc/55/11/68/379551168.db2.gz PYONZOMPQRGKSQ-ZANVPECISA-N 0 3 296.729 2.539 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000172396020 379557832 /nfs/dbraw/zinc/55/78/32/379557832.db2.gz OUFWXDOMOGCXGQ-CYBMUJFWSA-N 0 3 297.402 2.610 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)ccc1F ZINC000335686537 379720922 /nfs/dbraw/zinc/72/09/22/379720922.db2.gz XTQVDPYFLINHGX-CABCVRRESA-N 0 3 288.366 2.946 20 30 CFEDHN Cn1nccc1[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335692053 379729712 /nfs/dbraw/zinc/72/97/12/379729712.db2.gz XCNFKHSDRKDCMD-OAHLLOKOSA-N 0 3 298.365 2.810 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(Cl)nc(C)n2)CC1 ZINC000264446040 383739896 /nfs/dbraw/zinc/73/98/96/383739896.db2.gz BKXBRQCNKRKFCY-UHFFFAOYSA-N 0 3 280.803 2.891 20 30 CFEDHN C[C@H]1CC[C@@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715748 379773965 /nfs/dbraw/zinc/77/39/65/379773965.db2.gz SBKPJUTTXNEBNQ-GXTWGEPZSA-N 0 3 268.364 2.826 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000334738265 379854285 /nfs/dbraw/zinc/85/42/85/379854285.db2.gz IITKKEUHCMLZQL-CJNGLKHVSA-N 0 3 258.365 2.724 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)N(C)c1ccccc1 ZINC000174270550 379855781 /nfs/dbraw/zinc/85/57/81/379855781.db2.gz ZYRPMVGFETVFGM-CYBMUJFWSA-N 0 3 269.348 2.766 20 30 CFEDHN COc1ccc(CNCCSC(F)(F)F)cc1C#N ZINC000174285009 379857183 /nfs/dbraw/zinc/85/71/83/379857183.db2.gz OTRVJTGKCIYTAR-UHFFFAOYSA-N 0 3 290.310 2.909 20 30 CFEDHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000174309145 379861671 /nfs/dbraw/zinc/86/16/71/379861671.db2.gz SIYHWHDZBHBACL-WFASDCNBSA-N 0 3 286.379 2.505 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000174309137 379861789 /nfs/dbraw/zinc/86/17/89/379861789.db2.gz SIYHWHDZBHBACL-DOMZBBRYSA-N 0 3 286.379 2.505 20 30 CFEDHN C[C@H]1Cc2ccccc2N1CCNCc1ccc(C#N)o1 ZINC000174315542 379862922 /nfs/dbraw/zinc/86/29/22/379862922.db2.gz VAITUXGZRFQRNW-ZDUSSCGKSA-N 0 3 281.359 2.692 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000335773744 379865633 /nfs/dbraw/zinc/86/56/33/379865633.db2.gz FFPQQMQMWOLPPU-KGLIPLIRSA-N 0 3 274.339 2.556 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000432360758 383740775 /nfs/dbraw/zinc/74/07/75/383740775.db2.gz WQXWIWWBCHNCDN-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN CCc1nc2c(s1)[C@H](N(C)C(=O)C(C)C#N)CCC2 ZINC000335774890 379867942 /nfs/dbraw/zinc/86/79/42/379867942.db2.gz VKKCMSCRSHBGKS-MWLCHTKSSA-N 0 3 277.393 2.701 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)Oc1cccc(F)c1 ZINC000174581231 379911914 /nfs/dbraw/zinc/91/19/14/379911914.db2.gz JEWMZVQHGIPYTL-LLVKDONJSA-N 0 3 274.295 2.847 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)Oc1ccccc1F ZINC000174602222 379917518 /nfs/dbraw/zinc/91/75/18/379917518.db2.gz CDWSTBOEALFTAK-LLVKDONJSA-N 0 3 274.295 2.847 20 30 CFEDHN COc1ccc(CNC[C@](C)(O)c2ccccc2)cc1C#N ZINC000174395612 379876927 /nfs/dbraw/zinc/87/69/27/379876927.db2.gz JZAGYUATNNXMHW-SFHVURJKSA-N 0 3 296.370 2.564 20 30 CFEDHN C=C[C@@H](C)NC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F ZINC000645764712 383741453 /nfs/dbraw/zinc/74/14/53/383741453.db2.gz ITJRDSPXKIXIGS-GMTAPVOTSA-N 0 3 292.345 2.586 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000335103096 379974953 /nfs/dbraw/zinc/97/49/53/379974953.db2.gz LHFMXAOACVMBGO-HIFRSBDPSA-N 0 3 256.349 2.942 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000335143199 379982557 /nfs/dbraw/zinc/98/25/57/379982557.db2.gz DJFJLSGAKBLQMG-QPUJVOFHSA-N 0 3 293.164 2.712 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000264461357 383742755 /nfs/dbraw/zinc/74/27/55/383742755.db2.gz KJMYRCBPYPQALY-UHFFFAOYSA-N 0 3 262.328 2.806 20 30 CFEDHN C=C(C)CN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175380752 380053471 /nfs/dbraw/zinc/05/34/71/380053471.db2.gz XLDISFDQHCPLFM-YVEFUNNKSA-N 0 3 251.395 2.993 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000335888935 380056505 /nfs/dbraw/zinc/05/65/05/380056505.db2.gz ASDJAEIDIBVGGB-KBPBESRZSA-N 0 3 262.378 2.763 20 30 CFEDHN CCN1CC[C@H](N(C)C(=O)c2cc(C#N)cs2)C[C@@H]1C ZINC000335884319 380049050 /nfs/dbraw/zinc/04/90/50/380049050.db2.gz PTKNSIOKIBWINM-AAEUAGOBSA-N 0 3 291.420 2.565 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000335231533 380049530 /nfs/dbraw/zinc/04/95/30/380049530.db2.gz LFMZHIQGLQKCHZ-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000451958510 383743206 /nfs/dbraw/zinc/74/32/06/383743206.db2.gz CFKOANYPDJOWBD-LSDHHAIUSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@H](CC#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000175789706 380130814 /nfs/dbraw/zinc/13/08/14/380130814.db2.gz OWCDMWQWFAKQGS-LLVKDONJSA-N 0 3 285.347 2.526 20 30 CFEDHN CC(C#N)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000335999374 380217026 /nfs/dbraw/zinc/21/70/26/380217026.db2.gz VNFCLNKIPMUUEN-NSHDSACASA-N 0 3 258.296 2.601 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3ccsc32)CC1 ZINC000264479090 383744992 /nfs/dbraw/zinc/74/49/92/383744992.db2.gz UFOCXMWHHONCOA-UHFFFAOYSA-N 0 3 274.393 2.754 20 30 CFEDHN C[C@H]1COCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000336378753 380335533 /nfs/dbraw/zinc/33/55/33/380335533.db2.gz OQZNLAMJNJQVQK-CQSZACIVSA-N 0 3 272.392 2.956 20 30 CFEDHN Cc1cc(CN[C@@H]2Cc3cccc(O)c3C2)ccc1C#N ZINC000336508280 380383852 /nfs/dbraw/zinc/38/38/52/380383852.db2.gz RIXJWLNFAKCAND-MRXNPFEDSA-N 0 3 278.355 2.829 20 30 CFEDHN CC[C@@H](C)CN(CC)CC(=O)Nc1sccc1C#N ZINC000177853444 380385327 /nfs/dbraw/zinc/38/53/27/380385327.db2.gz BIJYRBKCPLAKCX-LLVKDONJSA-N 0 3 279.409 2.926 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000336393722 380338304 /nfs/dbraw/zinc/33/83/04/380338304.db2.gz NKZKGVYKUBJTKI-BBRMVZONSA-N 0 3 256.349 2.726 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](n3cccn3)C2)c1 ZINC000336518578 380399920 /nfs/dbraw/zinc/39/99/20/380399920.db2.gz UDEWTFUUHCMGMQ-INIZCTEOSA-N 0 3 266.348 2.592 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000336551200 380455844 /nfs/dbraw/zinc/45/58/44/380455844.db2.gz NLIKJDHOSOFNJV-GJZGRUSLSA-N 0 3 288.366 2.946 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CO)CC1 ZINC000336594255 380518948 /nfs/dbraw/zinc/51/89/48/380518948.db2.gz HTDGHADUJSUZDL-KBPBESRZSA-N 0 3 258.365 2.714 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000432557062 383747658 /nfs/dbraw/zinc/74/76/58/383747658.db2.gz KTBOUEXOZRJBTQ-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@@H](NCc1ccc(F)cc1C#N)C1CCOCC1 ZINC000179874328 380590183 /nfs/dbraw/zinc/59/01/83/380590183.db2.gz BPOQDQXBKWRPHV-LLVKDONJSA-N 0 3 262.328 2.602 20 30 CFEDHN C=C1CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000264501743 383748213 /nfs/dbraw/zinc/74/82/13/383748213.db2.gz VQMOEYWZMAUBLG-UHFFFAOYSA-N 0 3 270.376 2.618 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCCN(CC)C1CC1 ZINC000180708601 380692039 /nfs/dbraw/zinc/69/20/39/380692039.db2.gz GUEICMNHCRZTET-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCC[C@H](NCC1(O)CC(OCC)C1)c1ccco1 ZINC000287381472 380819040 /nfs/dbraw/zinc/81/90/40/380819040.db2.gz IGFWNZAEFXAJJC-BBBYJDLNSA-N 0 3 279.380 2.807 20 30 CFEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NCCC#N)C[C@@H]2C1 ZINC000400938036 380865949 /nfs/dbraw/zinc/86/59/49/380865949.db2.gz RMZSOFOIKUCDAV-MJBXVCDLSA-N 0 3 293.411 2.525 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccccc1OCC1CC1 ZINC000341253653 380867119 /nfs/dbraw/zinc/86/71/19/380867119.db2.gz DDOYXYNLVUBRCA-OAHLLOKOSA-N 0 3 275.392 2.750 20 30 CFEDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc(C#N)c1 ZINC000353816861 380873202 /nfs/dbraw/zinc/87/32/02/380873202.db2.gz FWGTTXIATMOEMV-YLQAJVPDSA-N 0 3 299.418 2.902 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)s1)C(=O)OC ZINC000181569904 380831104 /nfs/dbraw/zinc/83/11/04/380831104.db2.gz LNUDHNFXRUEPED-UHFFFAOYSA-N 0 3 280.393 2.689 20 30 CFEDHN C[C@H](NCCOc1ccccc1C#N)c1cccc(O)c1 ZINC000181578108 380833316 /nfs/dbraw/zinc/83/33/16/380833316.db2.gz IJDBDAFGOCRVRP-ZDUSSCGKSA-N 0 3 282.343 2.993 20 30 CFEDHN C=CCN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181633389 380847898 /nfs/dbraw/zinc/84/78/98/380847898.db2.gz LLGDWMFZXAZUHP-AWEZNQCLSA-N 0 3 291.414 2.804 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358559258 380927482 /nfs/dbraw/zinc/92/74/82/380927482.db2.gz PCVCBPPYXCTUJN-YPMHNXCESA-N 0 3 262.328 2.533 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(F)cc1Cl ZINC000341268860 380885715 /nfs/dbraw/zinc/88/57/15/380885715.db2.gz LFDNGDQAILXMRR-SNVBAGLBSA-N 0 3 257.736 2.753 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358566828 380932281 /nfs/dbraw/zinc/93/22/81/380932281.db2.gz CDTOXBBPQVAULP-OBJOEFQTSA-N 0 3 287.382 2.973 20 30 CFEDHN C=C(CC)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000358503598 380890752 /nfs/dbraw/zinc/89/07/52/380890752.db2.gz ZECJALKKDIXRGF-OAHLLOKOSA-N 0 3 278.440 2.923 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCS2)cc1F ZINC000404012715 380897769 /nfs/dbraw/zinc/89/77/69/380897769.db2.gz QEMNZJGQUGWKIV-GFCCVEGCSA-N 0 3 250.342 2.683 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1F ZINC000404111892 380899452 /nfs/dbraw/zinc/89/94/52/380899452.db2.gz JWADKMMFFYFSMC-USXIJHARSA-N 0 3 288.366 2.823 20 30 CFEDHN CC1(C)CC[C@H](CNCc2ccc(C#N)c(F)c2)O1 ZINC000404092469 380899676 /nfs/dbraw/zinc/89/96/76/380899676.db2.gz AQHUAOQBVGGZRD-CYBMUJFWSA-N 0 3 262.328 2.745 20 30 CFEDHN CC(C)(C)C[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000404094730 380900517 /nfs/dbraw/zinc/90/05/17/380900517.db2.gz AGQZWQRMGRMMAZ-ZDUSSCGKSA-N 0 3 264.344 2.584 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000404157801 380902486 /nfs/dbraw/zinc/90/24/86/380902486.db2.gz XGSNPBJLEGMFDH-CABCVRRESA-N 0 3 276.355 2.991 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404679014 380906124 /nfs/dbraw/zinc/90/61/24/380906124.db2.gz JAZHGURZUQKLEW-HUUCEWRRSA-N 0 3 274.339 2.745 20 30 CFEDHN N#CCNC(=O)CN[C@@H](CC1CCCCC1)c1ccccc1 ZINC000181828747 380908003 /nfs/dbraw/zinc/90/80/03/380908003.db2.gz OOGYPPQPBAHGSM-KRWDZBQOSA-N 0 3 299.418 2.927 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358566824 380931210 /nfs/dbraw/zinc/93/12/10/380931210.db2.gz CDTOXBBPQVAULP-DYEKYZERSA-N 0 3 287.382 2.973 20 30 CFEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000407991924 380911574 /nfs/dbraw/zinc/91/15/74/380911574.db2.gz YCIGSLWANPCDBH-ILXRZTDVSA-N 0 3 291.439 2.553 20 30 CFEDHN C[C@H](NC[C@]1(C)CCCO1)c1ccc(C#N)cc1F ZINC000358555428 380922963 /nfs/dbraw/zinc/92/29/63/380922963.db2.gz KZXKSVXHNWBGRL-NHYWBVRUSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@H](NC[C@H](C)N(C)C1CC1)c1ccc(C#N)cc1F ZINC000358596863 380958041 /nfs/dbraw/zinc/95/80/41/380958041.db2.gz WHQGPCFVWDHXPQ-RYUDHWBXSA-N 0 3 275.371 2.831 20 30 CFEDHN C=CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287947665 380978827 /nfs/dbraw/zinc/97/88/27/380978827.db2.gz HOIVZYDAAHUCRE-UKRRQHHQSA-N 0 3 275.396 2.505 20 30 CFEDHN CCCCCNC(=O)C1CCN([C@H](C)CCC#N)CC1 ZINC000411167784 381012419 /nfs/dbraw/zinc/01/24/19/381012419.db2.gz YJRMJELZWSMRLF-CQSZACIVSA-N 0 3 279.428 2.697 20 30 CFEDHN N#CC1(CCN2CCCC[C@@H]2CO)CCCCC1 ZINC000411164629 381012472 /nfs/dbraw/zinc/01/24/72/381012472.db2.gz IKAQAXRVFKUZFO-CQSZACIVSA-N 0 3 250.386 2.697 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(CC2CCCCC2)CC1 ZINC000411200339 381016629 /nfs/dbraw/zinc/01/66/29/381016629.db2.gz PFVHCBZPOXSTOK-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN C[C@@H](NCCC1(C#N)CCCCC1)c1cnn(C)c1 ZINC000411534303 381031782 /nfs/dbraw/zinc/03/17/82/381031782.db2.gz PDSXUPBIJFDRHH-CYBMUJFWSA-N 0 3 260.385 2.935 20 30 CFEDHN C[C@H](CCC#N)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000411347787 381023989 /nfs/dbraw/zinc/02/39/89/381023989.db2.gz GIQBOMJOIUHXGI-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000411427048 381025498 /nfs/dbraw/zinc/02/54/98/381025498.db2.gz OASUZYRCAMYQRS-AAEUAGOBSA-N 0 3 273.384 2.554 20 30 CFEDHN CCN(CCC#N)CCCC1CCN(CCC#N)CC1 ZINC000411430109 381026709 /nfs/dbraw/zinc/02/67/09/381026709.db2.gz SEBDNUMVIMLKIG-UHFFFAOYSA-N 0 3 276.428 2.628 20 30 CFEDHN C[C@@H](C#N)CN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411418036 381027133 /nfs/dbraw/zinc/02/71/33/381027133.db2.gz JKCNQLXUQCFLTN-HNNXBMFYSA-N 0 3 299.418 2.904 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411489144 381028253 /nfs/dbraw/zinc/02/82/53/381028253.db2.gz PYCZARGPUQDLTD-CYBMUJFWSA-N 0 3 281.421 2.656 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@]2(C1)CCCOC2 ZINC000368498392 381046532 /nfs/dbraw/zinc/04/65/32/381046532.db2.gz HKCDWTBYSGGWFN-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN C#C[C@H](C)N[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289575985 381052824 /nfs/dbraw/zinc/05/28/24/381052824.db2.gz SWMZHKGPLCIIPV-STQMWFEESA-N 0 3 292.810 2.688 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CCO2)CC1 ZINC000368525968 381056918 /nfs/dbraw/zinc/05/69/18/381056918.db2.gz GXAZBEUWIVYTGY-ZDUSSCGKSA-N 0 3 256.349 2.874 20 30 CFEDHN COCC1(C)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000358757458 381061134 /nfs/dbraw/zinc/06/11/34/381061134.db2.gz ZMDHQZPYPDVYBP-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1cc(C#N)ccc1F)C1CC1 ZINC000411941464 381065820 /nfs/dbraw/zinc/06/58/20/381065820.db2.gz HFAXWRFIVLGMJB-ZBEGNZNMSA-N 0 3 276.355 2.991 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(C)cc1-c1cnn(C)c1 ZINC000289628100 381074977 /nfs/dbraw/zinc/07/49/77/381074977.db2.gz WRLISIFQMKCGHJ-CYBMUJFWSA-N 0 3 253.349 2.507 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000411552086 381032318 /nfs/dbraw/zinc/03/23/18/381032318.db2.gz NEQKJABOTLCULY-STQMWFEESA-N 0 3 266.385 2.732 20 30 CFEDHN Cc1ccc(SC[C@H](C)NC(=O)C(C)C#N)cc1 ZINC000354042335 381039690 /nfs/dbraw/zinc/03/96/90/381039690.db2.gz LNWFUCSPJMIMOY-NEPJUHHUSA-N 0 3 262.378 2.752 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](CC)c1c(C)noc1C ZINC000182512434 381105072 /nfs/dbraw/zinc/10/50/72/381105072.db2.gz RYSUWYLGMPCYTC-QWHCGFSZSA-N 0 3 252.358 2.659 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CCCC)C2CC2)CC1 ZINC000358826236 381108480 /nfs/dbraw/zinc/10/84/80/381108480.db2.gz HKLDZFWFTICJKH-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@](CC)(CO)C2)cc1 ZINC000289719810 381119779 /nfs/dbraw/zinc/11/97/79/381119779.db2.gz OIJSBNZLRYTDTA-QGZVFWFLSA-N 0 3 257.377 2.652 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000295887432 381138200 /nfs/dbraw/zinc/13/82/00/381138200.db2.gz DJMZJKGUYKQSHZ-KURKYZTESA-N 0 3 281.399 2.975 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](O)CC(C)(C)C1 ZINC000295890178 381140393 /nfs/dbraw/zinc/14/03/93/381140393.db2.gz CODRTXCSHGNOKL-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN CCN(CC1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182782798 381155865 /nfs/dbraw/zinc/15/58/65/381155865.db2.gz IKXLZGUBCXOFIR-KRWDZBQOSA-N 0 3 297.402 2.786 20 30 CFEDHN CC#CCCNCc1c[nH]nc1-c1c(F)cccc1F ZINC000354189535 381131586 /nfs/dbraw/zinc/13/15/86/381131586.db2.gz OKLLAUNUZDQKPJ-UHFFFAOYSA-N 0 3 275.302 2.858 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000295965651 381185849 /nfs/dbraw/zinc/18/58/49/381185849.db2.gz JXKQZHCBBSQAKZ-MQVJKMGUSA-N 0 3 283.375 2.798 20 30 CFEDHN C=CCc1cc(CNC[C@H](CC)OC)cc(OC)c1O ZINC000289810054 381169224 /nfs/dbraw/zinc/16/92/24/381169224.db2.gz MXIGZMAFVZGWBQ-AWEZNQCLSA-N 0 3 279.380 2.644 20 30 CFEDHN N#Cc1cccc(CN2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000369469973 381269725 /nfs/dbraw/zinc/26/97/25/381269725.db2.gz MDFBDZYFGWDWCM-HOTGVXAUSA-N 0 3 256.349 2.702 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)cc2F)CCN(C2CC2)C1 ZINC000296082264 381247663 /nfs/dbraw/zinc/24/76/63/381247663.db2.gz QPXPFFOGIDIUHH-ZDUSSCGKSA-N 0 3 287.382 2.613 20 30 CFEDHN Fc1ccc(C#CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000296082565 381247756 /nfs/dbraw/zinc/24/77/56/381247756.db2.gz QATWHMZEFPNZOI-GVDBMIGSSA-N 0 3 285.362 2.724 20 30 CFEDHN C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN(C2CC2)C1 ZINC000296185228 381291271 /nfs/dbraw/zinc/29/12/71/381291271.db2.gz GYHSQICBNXFBKD-CYBMUJFWSA-N 0 3 298.390 2.506 20 30 CFEDHN CCC1(CC)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000296188899 381293180 /nfs/dbraw/zinc/29/31/80/381293180.db2.gz OFPXIIIQMUQIPI-HNNXBMFYSA-N 0 3 258.365 2.714 20 30 CFEDHN CCOc1cc(C(=O)C(C#N)c2ccncn2)ccc1C ZINC000354458359 381284312 /nfs/dbraw/zinc/28/43/12/381284312.db2.gz DEBJFGOVDURYKG-CYBMUJFWSA-N 0 3 281.315 2.674 20 30 CFEDHN COc1cc([C@H](C)NCCOc2ccccc2C#N)ccn1 ZINC000347664327 381285659 /nfs/dbraw/zinc/28/56/59/381285659.db2.gz DORZIDURRLKHRC-ZDUSSCGKSA-N 0 3 297.358 2.691 20 30 CFEDHN C[C@H](C#N)CNC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000183829666 381326764 /nfs/dbraw/zinc/32/67/64/381326764.db2.gz FGASCLMOPFMYPR-PNESKVBLSA-N 0 3 266.385 2.636 20 30 CFEDHN C=CCC[C@H](CCC)NCc1nnc2n1CCCC2 ZINC000183856380 381331030 /nfs/dbraw/zinc/33/10/30/381331030.db2.gz UDUHMZUHWZWLLN-ZDUSSCGKSA-N 0 3 262.401 2.839 20 30 CFEDHN CC(C)[C@]1(CO)CCCN(Cc2cc(C#N)cs2)C1 ZINC000354564226 381339319 /nfs/dbraw/zinc/33/93/19/381339319.db2.gz KGHFTDDBRQZCFC-OAHLLOKOSA-N 0 3 278.421 2.850 20 30 CFEDHN C[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000296245950 381318815 /nfs/dbraw/zinc/31/88/15/381318815.db2.gz BAMLDOOWCDBFMV-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN N#Cc1ccc(OCCCN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000369867531 381344436 /nfs/dbraw/zinc/34/44/36/381344436.db2.gz KBLGGAMCQKWQJA-IAGOWNOFSA-N 0 3 286.375 2.580 20 30 CFEDHN C[C@H](N[C@H]1CCOC1(C)C)c1ccc(C#N)c(F)c1 ZINC000296436956 381395818 /nfs/dbraw/zinc/39/58/18/381395818.db2.gz MCLFFYDPZNFKLI-HZMBPMFUSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@]1(CCCO)CCCN1Cc1ccc(C#N)s1 ZINC000290361233 381398295 /nfs/dbraw/zinc/39/82/95/381398295.db2.gz GUWGKZWSPRMJRD-CQSZACIVSA-N 0 3 264.394 2.747 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(NCCN3CCCC3)c2c1 ZINC000359482235 381429816 /nfs/dbraw/zinc/42/98/16/381429816.db2.gz PSTMBWGFJHSZGL-UHFFFAOYSA-N 0 3 294.402 2.653 20 30 CFEDHN Cc1c(C#N)c(NC2CCN(C)CC2)nc2ccccc12 ZINC000296532725 381437255 /nfs/dbraw/zinc/43/72/55/381437255.db2.gz NIMBGWRNHOAAJJ-UHFFFAOYSA-N 0 3 280.375 2.921 20 30 CFEDHN C=CCOCCCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348234287 381474782 /nfs/dbraw/zinc/47/47/82/381474782.db2.gz AWPSUAVKTADFDV-MNOVXSKESA-N 0 3 251.292 2.852 20 30 CFEDHN C=C1CCN(CCCN(CC)CC(F)(F)F)CC1 ZINC000354785045 381452730 /nfs/dbraw/zinc/45/27/30/381452730.db2.gz GDQPFGVJXRYJPX-UHFFFAOYSA-N 0 3 264.335 2.913 20 30 CFEDHN C=CCOCCCN1CCC(Oc2ccccn2)CC1 ZINC000348062980 381460899 /nfs/dbraw/zinc/46/08/99/381460899.db2.gz VMQCLVBUBGBRTF-UHFFFAOYSA-N 0 3 276.380 2.518 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000348187378 381469898 /nfs/dbraw/zinc/46/98/98/381469898.db2.gz ONHCRGJGNISSKK-UHFFFAOYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000342713116 381494091 /nfs/dbraw/zinc/49/40/91/381494091.db2.gz ROXGFHSFBGUPKK-NSHDSACASA-N 0 3 284.787 2.987 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)CC1CCCCC1 ZINC000342717951 381495345 /nfs/dbraw/zinc/49/53/45/381495345.db2.gz GKECIQNKMGPOHC-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C[C@H]1CN(Cc2cc(F)ccc2C#N)CCN(C2CC2)C1 ZINC000296782881 381540273 /nfs/dbraw/zinc/54/02/73/381540273.db2.gz SEHMSDWZACLLQW-ZDUSSCGKSA-N 0 3 287.382 2.613 20 30 CFEDHN CN(CCO[C@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000185156564 381548667 /nfs/dbraw/zinc/54/86/67/381548667.db2.gz GJIHCAUQBLBNMQ-INIZCTEOSA-N 0 3 274.364 2.533 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCCCN1CC ZINC000359677095 381549570 /nfs/dbraw/zinc/54/95/70/381549570.db2.gz GDWYLXXHONBCRA-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCCN(C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000342762947 381523628 /nfs/dbraw/zinc/52/36/28/381523628.db2.gz HYRPCUBBAIIERO-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)(C#N)CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000359640663 381527930 /nfs/dbraw/zinc/52/79/30/381527930.db2.gz VUAREBCOLDRTDU-UHFFFAOYSA-N 0 3 299.418 2.565 20 30 CFEDHN CCN(CCC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348448947 381572741 /nfs/dbraw/zinc/57/27/41/381572741.db2.gz MYAPTKKOJZODGK-QGZVFWFLSA-N 0 3 295.386 2.889 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000185253732 381578448 /nfs/dbraw/zinc/57/84/48/381578448.db2.gz UJYPNFBCBNIYML-OAHLLOKOSA-N 0 3 274.408 2.837 20 30 CFEDHN C=CCN(C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000297327948 381557635 /nfs/dbraw/zinc/55/76/35/381557635.db2.gz CQWGFBGBKOUDLU-AWEZNQCLSA-N 0 3 260.381 2.530 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)cc1C ZINC000414133829 381563648 /nfs/dbraw/zinc/56/36/48/381563648.db2.gz BLYULIMFJAJXSJ-MAZHCROVSA-N 0 3 261.365 2.998 20 30 CFEDHN N#Cc1ccc(CN2CCCCC[C@H]2CCO)s1 ZINC000342822648 381567891 /nfs/dbraw/zinc/56/78/91/381567891.db2.gz LPQISZGJPUPPSO-LBPRGKRZSA-N 0 3 264.394 2.747 20 30 CFEDHN N#Cc1ccc(CN2CCCCC[C@@H]2CCO)s1 ZINC000342822647 381568014 /nfs/dbraw/zinc/56/80/14/381568014.db2.gz LPQISZGJPUPPSO-GFCCVEGCSA-N 0 3 264.394 2.747 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000342890254 381601607 /nfs/dbraw/zinc/60/16/07/381601607.db2.gz WIGGEFSENNPEOD-HZPDHXFCSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](CO)[C@@H]2C)c1 ZINC000414579946 381594743 /nfs/dbraw/zinc/59/47/43/381594743.db2.gz QHEZHDPWSIJRQE-GOEBONIOSA-N 0 3 275.392 2.844 20 30 CFEDHN N#Cc1c(F)cccc1N1CCN(CCC2CC2)CC1 ZINC000359851332 381642454 /nfs/dbraw/zinc/64/24/54/381642454.db2.gz WQBMNDFTYJGDAA-UHFFFAOYSA-N 0 3 273.355 2.619 20 30 CFEDHN CC#CCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000185571085 381669223 /nfs/dbraw/zinc/66/92/23/381669223.db2.gz PNDIYTWPPAVPFD-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN CCN1CCN(c2cc(C#N)c3ccccc3n2)[C@H](C)C1 ZINC000343281163 381672630 /nfs/dbraw/zinc/67/26/30/381672630.db2.gz GRSWLJFGEVXHDU-CYBMUJFWSA-N 0 3 280.375 2.637 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN(c3ccccc3F)C2)o1 ZINC000291059395 381651082 /nfs/dbraw/zinc/65/10/82/381651082.db2.gz OYBAQHLAFNYNCA-ZDUSSCGKSA-N 0 3 299.349 2.906 20 30 CFEDHN CC(C)CNC(=O)C(C#N)c1nccc2ccccc21 ZINC000359922355 381680580 /nfs/dbraw/zinc/68/05/80/381680580.db2.gz GQJBQOFCXPQQEK-CQSZACIVSA-N 0 3 267.332 2.614 20 30 CFEDHN CN(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)o1 ZINC000371799905 381703390 /nfs/dbraw/zinc/70/33/90/381703390.db2.gz WGCIOCVSINYCQO-ZWKOTPCHSA-N 0 3 295.386 2.859 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC3(CC3)C2)CC1 ZINC000185686272 381705900 /nfs/dbraw/zinc/70/59/00/381705900.db2.gz RRJSWQXOIRUUDC-UHFFFAOYSA-N 0 3 291.439 2.613 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)N1CCc2ccc(C#N)cc21 ZINC000355257413 381706489 /nfs/dbraw/zinc/70/64/89/381706489.db2.gz UQJAODKBVNEFCF-OAHLLOKOSA-N 0 3 285.391 2.614 20 30 CFEDHN C=CCOc1cccc(C[NH2+]Cc2ncccc2[O-])c1 ZINC000355296965 381734436 /nfs/dbraw/zinc/73/44/36/381734436.db2.gz TYKOFIJZBVMKOI-UHFFFAOYSA-N 0 3 270.332 2.642 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NC[C@@H](O)c2cccc(F)c2)C1 ZINC000185803036 381738575 /nfs/dbraw/zinc/73/85/75/381738575.db2.gz SSNYNFJELQFZJO-NILFDRSVSA-N 0 3 262.328 2.531 20 30 CFEDHN C=CCc1cc(CN[C@H](CO)C/C=C/C)cc(OC)c1O ZINC000185810513 381739715 /nfs/dbraw/zinc/73/97/15/381739715.db2.gz VIRJGPSNXUFUMG-DRDHIDPGSA-N 0 3 291.391 2.546 20 30 CFEDHN Cc1ccnc(NCCN2[C@H](C)CCC[C@H]2C)c1C#N ZINC000343478193 381740619 /nfs/dbraw/zinc/74/06/19/381740619.db2.gz PNALGDKPMFKWNY-ZIAGYGMSSA-N 0 3 272.396 2.937 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCCOc2ncccc2Cl)C1 ZINC000185855700 381757170 /nfs/dbraw/zinc/75/71/70/381757170.db2.gz IUCMMCDYUOZDFH-NWDGAFQWSA-N 0 3 279.771 2.786 20 30 CFEDHN CCC[C@@H]1CCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000185855690 381757260 /nfs/dbraw/zinc/75/72/60/381757260.db2.gz AIWCJIUKRJGHNF-OAHLLOKOSA-N 0 3 291.439 2.984 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000343538792 381782671 /nfs/dbraw/zinc/78/26/71/381782671.db2.gz VZTVLYPHWCMVAD-BFHYXJOUSA-N 0 3 252.402 2.720 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC[C@@H](C)C1 ZINC000360605550 381784104 /nfs/dbraw/zinc/78/41/04/381784104.db2.gz SPCNMNLXURSURR-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H](C)C1 ZINC000360605548 381784397 /nfs/dbraw/zinc/78/43/97/381784397.db2.gz SPCNMNLXURSURR-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000360736374 381790120 /nfs/dbraw/zinc/79/01/20/381790120.db2.gz FVLIJCKLVSXULD-UHFFFAOYSA-N 0 3 273.380 2.617 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000360137924 381766191 /nfs/dbraw/zinc/76/61/91/381766191.db2.gz YINOAYJJUFAHKN-QWHCGFSZSA-N 0 3 256.349 2.973 20 30 CFEDHN CC(C)[C@H]1N(C[C@@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000292341873 381799239 /nfs/dbraw/zinc/79/92/39/381799239.db2.gz DJXOZOUYBQDAEL-HZPDHXFCSA-N 0 3 272.392 2.958 20 30 CFEDHN Cc1ccnc(NC[C@H](Cc2ccccc2)N(C)C)c1C#N ZINC000343518075 381767416 /nfs/dbraw/zinc/76/74/16/381767416.db2.gz XZGSTLUMHUJHKO-INIZCTEOSA-N 0 3 294.402 2.847 20 30 CFEDHN N#CCCCN1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000360186332 381768183 /nfs/dbraw/zinc/76/81/83/381768183.db2.gz FBYHTKDBMVYDSJ-MRXNPFEDSA-N 0 3 283.375 2.738 20 30 CFEDHN CC(C)c1nc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000361434117 381830433 /nfs/dbraw/zinc/83/04/33/381830433.db2.gz ACXWURPFAZHSIQ-QJPTWQEYSA-N 0 3 261.373 2.661 20 30 CFEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CCC1 ZINC000361481552 381836896 /nfs/dbraw/zinc/83/68/96/381836896.db2.gz OHGAXYRMPCKNBE-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C(C)(C)C)C1 ZINC000361550319 381841407 /nfs/dbraw/zinc/84/14/07/381841407.db2.gz DQMHHDIEEPMVGW-GJZGRUSLSA-N 0 3 293.455 2.753 20 30 CFEDHN Cc1ccoc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000343616288 381843965 /nfs/dbraw/zinc/84/39/65/381843965.db2.gz UUDZFLBCXAZMOJ-OAHLLOKOSA-N 0 3 282.343 2.977 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](n2cccn2)C1 ZINC000361236604 381813355 /nfs/dbraw/zinc/81/33/55/381813355.db2.gz KMYQHWQDFAFOAU-MRXNPFEDSA-N 0 3 283.375 2.895 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000343664293 381876051 /nfs/dbraw/zinc/87/60/51/381876051.db2.gz UQJHJTLZYGZUFM-XVKPBYJWSA-N 0 3 274.217 2.705 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1F)C1(CO)CCC1 ZINC000292809976 381846888 /nfs/dbraw/zinc/84/68/88/381846888.db2.gz OMHWPYNIMRRUCF-MRXNPFEDSA-N 0 3 290.382 2.974 20 30 CFEDHN N#CC(C(=O)c1ccnn1-c1ccccc1)c1ccccn1 ZINC000361664153 381854808 /nfs/dbraw/zinc/85/48/08/381854808.db2.gz HWOTYNHNODRVBK-CQSZACIVSA-N 0 3 288.310 2.757 20 30 CFEDHN Cn1cc(CNC2CC(OCc3ccccc3)C2)cc1C#N ZINC000372777463 381866976 /nfs/dbraw/zinc/86/69/76/381866976.db2.gz WAODBMINFOGAQN-UHFFFAOYSA-N 0 3 295.386 2.734 20 30 CFEDHN Clc1cccc(C#CCN[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000372796553 381870457 /nfs/dbraw/zinc/87/04/57/381870457.db2.gz CFBZLYJUNSSKRC-JKSUJKDBSA-N 0 3 275.779 2.849 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415964209 381870795 /nfs/dbraw/zinc/87/07/95/381870795.db2.gz XCSASOZEXQXTJU-UHFFFAOYSA-N 0 3 289.354 2.677 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1CNC ZINC000415927476 381870968 /nfs/dbraw/zinc/87/09/68/381870968.db2.gz WPPIPMSIMKAIAZ-CQSZACIVSA-N 0 3 273.380 2.978 20 30 CFEDHN C=CCCCCNC(=O)Nc1ccccc1CNC ZINC000415922990 381871612 /nfs/dbraw/zinc/87/16/12/381871612.db2.gz ONQIETGOUGMQGP-UHFFFAOYSA-N 0 3 261.369 2.884 20 30 CFEDHN CN(C)CCN(Cc1ccco1)Cc1cc(C#N)cs1 ZINC000349271781 381872133 /nfs/dbraw/zinc/87/21/33/381872133.db2.gz CHMGJANOQDRZGF-UHFFFAOYSA-N 0 3 289.404 2.777 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415996756 381872668 /nfs/dbraw/zinc/87/26/68/381872668.db2.gz NSCBFOFPOGTYGE-UHFFFAOYSA-N 0 3 259.353 2.720 20 30 CFEDHN C=C(CC)CNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415977656 381873040 /nfs/dbraw/zinc/87/30/40/381873040.db2.gz SVMBRCMFAAPDLR-UHFFFAOYSA-N 0 3 277.343 2.559 20 30 CFEDHN C#CCCCC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000372992943 381906367 /nfs/dbraw/zinc/90/63/67/381906367.db2.gz MRPCGJNFHQVCAC-LJQANCHMSA-N 0 3 298.430 2.961 20 30 CFEDHN CC(C#N)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000343739016 381917720 /nfs/dbraw/zinc/91/77/20/381917720.db2.gz YFJIVSXLURMHQZ-CYBMUJFWSA-N 0 3 256.349 2.675 20 30 CFEDHN CC#CCCCC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000362146214 381927777 /nfs/dbraw/zinc/92/77/77/381927777.db2.gz LLOLNBRZZOUFHY-LSDHHAIUSA-N 0 3 264.413 2.559 20 30 CFEDHN C[C@@H]1CCC[C@@H](CN2CCN(c3ncccc3C#N)CC2)C1 ZINC000356969139 381933963 /nfs/dbraw/zinc/93/39/63/381933963.db2.gz BQSVRFHDAFAPRL-HZPDHXFCSA-N 0 3 298.434 2.902 20 30 CFEDHN CC[C@@H](C(=O)N[C@@H](C#N)c1ccccc1F)N(CC)CC ZINC000349485965 381943049 /nfs/dbraw/zinc/94/30/49/381943049.db2.gz WMVYYTKQVQRUQC-GJZGRUSLSA-N 0 3 291.370 2.627 20 30 CFEDHN C[C@H]1CCC[C@H](CN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000356985898 381943385 /nfs/dbraw/zinc/94/33/85/381943385.db2.gz XTCMNITTWHZRCV-RDJZCZTQSA-N 0 3 298.434 2.902 20 30 CFEDHN CCN(CCOC)Cc1cccc(OCCCC#N)c1 ZINC000349860457 381995741 /nfs/dbraw/zinc/99/57/41/381995741.db2.gz GTBBOJVUOSZCIX-UHFFFAOYSA-N 0 3 276.380 2.837 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000362301658 381999459 /nfs/dbraw/zinc/99/94/59/381999459.db2.gz TUDISLUGTPLENL-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN CCc1ccccc1CN1CCC(n2cnc(C#N)n2)CC1 ZINC000373413431 382000400 /nfs/dbraw/zinc/00/04/00/382000400.db2.gz RCRUPAWWQLTOTO-UHFFFAOYSA-N 0 3 295.390 2.549 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000186741912 382000604 /nfs/dbraw/zinc/00/06/04/382000604.db2.gz QCFDAOJRFAVPFF-HNNXBMFYSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343901766 382011653 /nfs/dbraw/zinc/01/16/53/382011653.db2.gz BCZBWNSAMGZSHH-MJBXVCDLSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343901763 382011913 /nfs/dbraw/zinc/01/19/13/382011913.db2.gz BCZBWNSAMGZSHH-BFHYXJOUSA-N 0 3 267.417 2.513 20 30 CFEDHN N#Cc1cc(NC[C@H](c2ccco2)N2CCCC2)ccn1 ZINC000299639467 382012053 /nfs/dbraw/zinc/01/20/53/382012053.db2.gz KDAIUYAMUROQPC-OAHLLOKOSA-N 0 3 282.347 2.795 20 30 CFEDHN CC#CCN(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000293169227 382016707 /nfs/dbraw/zinc/01/67/07/382016707.db2.gz PBDLYDMBYBHLPW-CQSZACIVSA-N 0 3 285.309 2.564 20 30 CFEDHN COC1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000349734007 381986774 /nfs/dbraw/zinc/98/67/74/381986774.db2.gz UDULPDQHBDUETJ-UHFFFAOYSA-N 0 3 288.391 2.980 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)C/C=C\C)cc1OC ZINC000349828769 381993671 /nfs/dbraw/zinc/99/36/71/381993671.db2.gz NASLFIJXBUWBBN-VOKGJARPSA-N 0 3 291.391 2.677 20 30 CFEDHN COc1cc2c(cc1CN[C@@H]1CC[C@@H](C#N)C1)O[C@H](C)C2 ZINC000349826843 381993747 /nfs/dbraw/zinc/99/37/47/381993747.db2.gz FCBXULFODGLVNZ-LALPHHSUSA-N 0 3 286.375 2.800 20 30 CFEDHN C=CCc1cc(CN[C@@H](CO)C/C=C\C)cc(OC)c1O ZINC000349854237 381995178 /nfs/dbraw/zinc/99/51/78/381995178.db2.gz VIRJGPSNXUFUMG-ZDTYVGOBSA-N 0 3 291.391 2.546 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000299740725 382042020 /nfs/dbraw/zinc/04/20/20/382042020.db2.gz BJPOCDABZZAYAH-ZWKOTPCHSA-N 0 3 293.370 2.963 20 30 CFEDHN C#CCCOc1ccc(CNC[C@@H](OC)C2CC2)cc1 ZINC000293237790 382042926 /nfs/dbraw/zinc/04/29/26/382042926.db2.gz ZOKINFMYQGTTMV-QGZVFWFLSA-N 0 3 273.376 2.603 20 30 CFEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)C(C)C#N ZINC000343980076 382045560 /nfs/dbraw/zinc/04/55/60/382045560.db2.gz RAHDPZIVTSXWPV-LCGIIJARSA-N 0 3 286.375 2.614 20 30 CFEDHN C=CCOc1ccccc1CN(C)CCc1cnccn1 ZINC000357229621 382069004 /nfs/dbraw/zinc/06/90/04/382069004.db2.gz IDFLOVWALBZFNL-UHFFFAOYSA-N 0 3 283.375 2.716 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2COCc3ccccc32)C1 ZINC000417340596 382047110 /nfs/dbraw/zinc/04/71/10/382047110.db2.gz APRYGHFNUHFTHY-INWMFGNUSA-N 0 3 256.349 2.930 20 30 CFEDHN C=CCCCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000351714757 382056938 /nfs/dbraw/zinc/05/69/38/382056938.db2.gz VILVZODAFDDGOO-UHFFFAOYSA-N 0 3 289.423 2.774 20 30 CFEDHN CCOC(=O)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000186984659 382067014 /nfs/dbraw/zinc/06/70/14/382067014.db2.gz YSGCBMFSRHGHIX-XJKSGUPXSA-N 0 3 286.375 2.894 20 30 CFEDHN CCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000343925062 382023068 /nfs/dbraw/zinc/02/30/68/382023068.db2.gz NMSLJLATGUYYSN-AWEZNQCLSA-N 0 3 288.351 2.753 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2COc3ccc(F)cc3C2)C1 ZINC000344017014 382070399 /nfs/dbraw/zinc/07/03/99/382070399.db2.gz DZTDVQFKQSUVDU-UGFHNGPFSA-N 0 3 274.339 2.801 20 30 CFEDHN CCCN1CCC[C@H]1CNc1nccc(C)c1C#N ZINC000343934903 382028156 /nfs/dbraw/zinc/02/81/56/382028156.db2.gz VXNZOHYMBHZYGC-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@]12CCOC2 ZINC000357317242 382103360 /nfs/dbraw/zinc/10/33/60/382103360.db2.gz FRWPLCGADGCMHY-FUHWJXTLSA-N 0 3 298.386 2.540 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376013673 382115098 /nfs/dbraw/zinc/11/50/98/382115098.db2.gz JFFJQJCFPRCJOB-IAOVAPTHSA-N 0 3 286.375 2.731 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(NC(=O)C2CC2)CC1 ZINC000187197017 382125950 /nfs/dbraw/zinc/12/59/50/382125950.db2.gz CSMLSZPFHCLEJJ-ZDUSSCGKSA-N 0 3 297.402 2.610 20 30 CFEDHN N#Cc1c(CN2CCC[C@H]3COCC[C@@H]32)cn2ccccc12 ZINC000362455770 382079969 /nfs/dbraw/zinc/07/99/69/382079969.db2.gz TXHATMUMPOLLMZ-YOEHRIQHSA-N 0 3 295.386 2.812 20 30 CFEDHN CC(C)[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000357355034 382129445 /nfs/dbraw/zinc/12/94/45/382129445.db2.gz NNPDXLXHYIXXFC-GDBMZVCRSA-N 0 3 276.355 2.991 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNc1ccncc1-c1cccnc1 ZINC000376471013 382137894 /nfs/dbraw/zinc/13/78/94/382137894.db2.gz BBQCYKQMCRVDMP-YJBOKZPZSA-N 0 3 295.386 2.959 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344129068 382146182 /nfs/dbraw/zinc/14/61/82/382146182.db2.gz XLJAMQJCHDVOMG-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CCN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000352043297 382146923 /nfs/dbraw/zinc/14/69/23/382146923.db2.gz BYXRSOXXIYFWEA-GJZGRUSLSA-N 0 3 252.402 2.674 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000293537312 382163542 /nfs/dbraw/zinc/16/35/42/382163542.db2.gz CJPJITVOWFSBRX-QGZVFWFLSA-N 0 3 282.387 2.949 20 30 CFEDHN C[C@H]1C[C@H](N(C)c2cccc(F)c2C#N)CCN1C ZINC000301397968 382168788 /nfs/dbraw/zinc/16/87/88/382168788.db2.gz AKGRWQGYWZXRFL-NWDGAFQWSA-N 0 3 261.344 2.616 20 30 CFEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)s1 ZINC000344209529 382200459 /nfs/dbraw/zinc/20/04/59/382200459.db2.gz ALGUPVUPENMEQB-SNVBAGLBSA-N 0 3 280.393 2.830 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000377023492 382203752 /nfs/dbraw/zinc/20/37/52/382203752.db2.gz ADESHBSIBHSKQF-HKUYNNGSSA-N 0 3 292.382 2.944 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000302054241 382204338 /nfs/dbraw/zinc/20/43/38/382204338.db2.gz YTDIDDGEQQXQOL-QGZVFWFLSA-N 0 3 297.402 2.825 20 30 CFEDHN C#CCCN1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000302145611 382210521 /nfs/dbraw/zinc/21/05/21/382210521.db2.gz HQBZHAJVOCBVIN-UHFFFAOYSA-N 0 3 279.387 2.689 20 30 CFEDHN C=CCOCCN[C@H](C)[C@H]1OCCc2sccc21 ZINC000293647073 382212783 /nfs/dbraw/zinc/21/27/83/382212783.db2.gz SDYOGTCCHIWECR-BXUZGUMPSA-N 0 3 267.394 2.543 20 30 CFEDHN Cc1nsc(N2CCC[C@H](N3CCCCC3)C2)c1C#N ZINC000377150107 382227892 /nfs/dbraw/zinc/22/78/92/382227892.db2.gz NUELUTIGXMXDNT-ZDUSSCGKSA-N 0 3 290.436 2.778 20 30 CFEDHN CC(C#N)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000345063893 382281636 /nfs/dbraw/zinc/28/16/36/382281636.db2.gz REFSFIVAYXLUOI-LLVKDONJSA-N 0 3 285.372 2.628 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345117899 382285433 /nfs/dbraw/zinc/28/54/33/382285433.db2.gz WYIBQLKOPJRTGF-CABCVRRESA-N 0 3 299.418 2.905 20 30 CFEDHN CC1(C)CCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419207040 382242920 /nfs/dbraw/zinc/24/29/20/382242920.db2.gz LUYRGWBHYMUBDI-HUUCEWRRSA-N 0 3 285.391 2.501 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000363813483 382247309 /nfs/dbraw/zinc/24/73/09/382247309.db2.gz FYUIZQOHJPXRFL-IRXDYDNUSA-N 0 3 298.430 2.770 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CC(=O)N(C)C)CC1 ZINC000187720222 382256468 /nfs/dbraw/zinc/25/64/68/382256468.db2.gz BJXAXBLBIRKRGM-CQSZACIVSA-N 0 3 299.418 2.810 20 30 CFEDHN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C1=CCCC1 ZINC000419280386 382270344 /nfs/dbraw/zinc/27/03/44/382270344.db2.gz KITAEWUCLVHZGO-MRXNPFEDSA-N 0 3 297.402 2.811 20 30 CFEDHN C[C@H]1CCC[C@H](C)N(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000357712488 382291684 /nfs/dbraw/zinc/29/16/84/382291684.db2.gz BTVJWTJICIQKFD-GJZGRUSLSA-N 0 3 299.418 2.685 20 30 CFEDHN CC(C)(C)C(=O)NC[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345709303 382309846 /nfs/dbraw/zinc/30/98/46/382309846.db2.gz JCUNHSSXPKTWSC-AWEZNQCLSA-N 0 3 293.455 2.801 20 30 CFEDHN CCCN(CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352406525 382312513 /nfs/dbraw/zinc/31/25/13/382312513.db2.gz QTEICRQDNNPWPB-INIZCTEOSA-N 0 3 285.391 2.786 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000345781250 382313469 /nfs/dbraw/zinc/31/34/69/382313469.db2.gz YYCDLFUIBFCEOA-SNVBAGLBSA-N 0 3 264.756 2.937 20 30 CFEDHN C[C@H]1[C@@H](C)N(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C ZINC000419390715 382313988 /nfs/dbraw/zinc/31/39/88/382313988.db2.gz IVMHYOOUWIZEQJ-BZUAXINKSA-N 0 3 299.418 2.910 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1C[C@@H]1C(F)F ZINC000345803735 382314862 /nfs/dbraw/zinc/31/48/62/382314862.db2.gz KWQHBQQHWZXWDP-RWMBFGLXSA-N 0 3 278.302 2.529 20 30 CFEDHN Cn1ccc(C(=O)C(C#N)c2ccncn2)c1C1CCC1 ZINC000345993494 382327288 /nfs/dbraw/zinc/32/72/88/382327288.db2.gz NEVHARFQRVICKC-CYBMUJFWSA-N 0 3 280.331 2.573 20 30 CFEDHN CCOc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000357826914 382338646 /nfs/dbraw/zinc/33/86/46/382338646.db2.gz MMRYXMHMLRUFNI-IUODEOHRSA-N 0 3 272.348 2.908 20 30 CFEDHN C=C[C@@H](CO)NCc1cc(Cl)cc2cccnc21 ZINC000352455116 382341651 /nfs/dbraw/zinc/34/16/51/382341651.db2.gz XNPZAWHZOAYOEW-ZDUSSCGKSA-N 0 3 262.740 2.525 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C)CC2)CC1 ZINC000188092923 382342756 /nfs/dbraw/zinc/34/27/56/382342756.db2.gz AVRQSRHNTJVBCI-CABCVRRESA-N 0 3 293.455 2.905 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NCCN1CCCC[C@H]1CC ZINC000352457267 382342850 /nfs/dbraw/zinc/34/28/50/382342850.db2.gz VNZVPKMKRBRGRU-NVXWUHKLSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000345284428 382294454 /nfs/dbraw/zinc/29/44/54/382294454.db2.gz QWLODAVQWNMTCQ-JSGCOSHPSA-N 0 3 265.401 2.608 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000680483830 542329399 /nfs/dbraw/zinc/32/93/99/542329399.db2.gz BQMJUODPVXFYLA-HIFRSBDPSA-N 0 3 293.407 2.899 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](O)CC2)c1 ZINC000293978417 382363399 /nfs/dbraw/zinc/36/33/99/382363399.db2.gz KSJWBPBTEVWANT-HNNXBMFYSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OCc1ccncc1 ZINC000680484107 542330561 /nfs/dbraw/zinc/33/05/61/542330561.db2.gz FVKKTZZVEIKSOJ-KRWDZBQOSA-N 0 3 298.386 2.687 20 30 CFEDHN N#Cc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000304293884 382389214 /nfs/dbraw/zinc/38/92/14/382389214.db2.gz MTQGWDTVXSFLLL-QGZVFWFLSA-N 0 3 266.344 2.772 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(Oc2cccnc2)c(C)c1 ZINC000352466226 382347897 /nfs/dbraw/zinc/34/78/97/382347897.db2.gz UXELSPMFAPILGE-OAHLLOKOSA-N 0 3 284.359 2.819 20 30 CFEDHN C=CCOCCN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000294121100 382423309 /nfs/dbraw/zinc/42/33/09/382423309.db2.gz NIASVTPQZBFPEK-UHFFFAOYSA-N 0 3 289.419 2.567 20 30 CFEDHN CC(C)(O)[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000305725412 382443007 /nfs/dbraw/zinc/44/30/07/382443007.db2.gz JFRUKVWGCHLVBL-OAHLLOKOSA-N 0 3 277.795 2.927 20 30 CFEDHN C=CCOc1ccccc1CN(C)C[C@@H]1CCC[C@H]1O ZINC000305747092 382445500 /nfs/dbraw/zinc/44/55/00/382445500.db2.gz RIUPHYUEPYMZIE-GOEBONIOSA-N 0 3 275.392 2.844 20 30 CFEDHN CC[C@@H](C)[C@@H](CNCc1ccc(C#N)cc1F)OC ZINC000294099076 382414295 /nfs/dbraw/zinc/41/42/95/382414295.db2.gz BTBLFYNAEYOEQO-IAQYHMDHSA-N 0 3 264.344 2.848 20 30 CFEDHN C=CCOc1cccc(CNCCN2CC=C(C)CC2)c1 ZINC000358150587 382472159 /nfs/dbraw/zinc/47/21/59/382472159.db2.gz AWVIQFHKVTYEOZ-UHFFFAOYSA-N 0 3 286.419 2.993 20 30 CFEDHN C=C(C)CN(CCC(C)(C)OC)Cc1ccc(CO)o1 ZINC000352795493 382472808 /nfs/dbraw/zinc/47/28/08/382472808.db2.gz DHRJUINFKWAJND-UHFFFAOYSA-N 0 3 281.396 2.965 20 30 CFEDHN CN1CCC[C@@H]1CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352836454 382478069 /nfs/dbraw/zinc/47/80/69/382478069.db2.gz UNRTZYXZMRJYGG-CYBMUJFWSA-N 0 3 297.324 2.761 20 30 CFEDHN CC(C)(CN1CCCC1)NCc1cc(C#N)cs1 ZINC000308616187 382479237 /nfs/dbraw/zinc/47/92/37/382479237.db2.gz UXYXCZVJJSCCDQ-UHFFFAOYSA-N 0 3 263.410 2.584 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)NCCCCC#N ZINC000352903473 382481123 /nfs/dbraw/zinc/48/11/23/382481123.db2.gz UXUGYLVNYSTDCS-UHFFFAOYSA-N 0 3 294.443 2.588 20 30 CFEDHN C=CCOc1ccc(CNCc2cnc3cnccn23)cc1 ZINC000352922730 382483603 /nfs/dbraw/zinc/48/36/03/382483603.db2.gz CVFNNMVAZSDAKN-UHFFFAOYSA-N 0 3 294.358 2.584 20 30 CFEDHN C=CCOc1ccc(CNCc2nc(C)ccc2O)cc1 ZINC000352958045 382486456 /nfs/dbraw/zinc/48/64/56/382486456.db2.gz XUMFBYOQUUPHCT-UHFFFAOYSA-N 0 3 284.359 2.950 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@@H]1C(C)C ZINC000353052196 382490209 /nfs/dbraw/zinc/49/02/09/382490209.db2.gz OUYAZNPSLLMCHH-DLBZAZTESA-N 0 3 289.419 2.885 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CC[C@@H]1C(C)C ZINC000353052197 382490858 /nfs/dbraw/zinc/49/08/58/382490858.db2.gz OUYAZNPSLLMCHH-IAGOWNOFSA-N 0 3 289.419 2.885 20 30 CFEDHN Cn1ccc(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000358238197 382520639 /nfs/dbraw/zinc/52/06/39/382520639.db2.gz MOWLQISCARQOAX-UHFFFAOYSA-N 0 3 294.402 2.914 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2cccc(C#N)c2)c1 ZINC000189004889 382522656 /nfs/dbraw/zinc/52/26/56/382522656.db2.gz UGGSZEZJUTYALK-GOSISDBHSA-N 0 3 280.371 2.560 20 30 CFEDHN C=C1CCN(Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420917084 382499384 /nfs/dbraw/zinc/49/93/84/382499384.db2.gz QFYXSPQJDNORKX-UHFFFAOYSA-N 0 3 286.419 2.671 20 30 CFEDHN C[C@H](CCC#N)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421018450 382507189 /nfs/dbraw/zinc/50/71/89/382507189.db2.gz MQCXIDUVCYTMDU-MGPQQGTHSA-N 0 3 280.412 2.978 20 30 CFEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC000421019497 382507531 /nfs/dbraw/zinc/50/75/31/382507531.db2.gz MJAQJEAIHRVDIU-OAHLLOKOSA-N 0 3 272.392 2.557 20 30 CFEDHN C[C@H](CCC#N)N1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421018448 382507847 /nfs/dbraw/zinc/50/78/47/382507847.db2.gz MQCXIDUVCYTMDU-MCIONIFRSA-N 0 3 280.412 2.978 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 ZINC000189031207 382528378 /nfs/dbraw/zinc/52/83/78/382528378.db2.gz JNDLHYSYIBWYRG-IAGOWNOFSA-N 0 3 286.419 2.899 20 30 CFEDHN C[C@@H]1CC[C@@H](O)CN1Cc1cccc(OCCCC#N)c1 ZINC000421383681 382515245 /nfs/dbraw/zinc/51/52/45/382515245.db2.gz ZZDJVHWDJGHIQA-GDBMZVCRSA-N 0 3 288.391 2.714 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccccc1OCC=C ZINC000321519391 382539833 /nfs/dbraw/zinc/53/98/33/382539833.db2.gz XASYRIDYIILYTN-HNNXBMFYSA-N 0 3 261.365 2.668 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)o1)c1ccccn1 ZINC000294889750 382540208 /nfs/dbraw/zinc/54/02/08/382540208.db2.gz WKJFWPJBJOWYTN-UHFFFAOYSA-N 0 3 255.321 2.614 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000358290947 382550400 /nfs/dbraw/zinc/55/04/00/382550400.db2.gz FKGVPSOTUPWVKK-MNOVXSKESA-N 0 3 262.353 2.879 20 30 CFEDHN C=C[C@@H](C)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000358298891 382554926 /nfs/dbraw/zinc/55/49/26/382554926.db2.gz MJGWDOCSCYVHPF-HIFRSBDPSA-N 0 3 290.407 2.769 20 30 CFEDHN C=C[C@H](C)N[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000358298889 382555459 /nfs/dbraw/zinc/55/54/59/382555459.db2.gz MJGWDOCSCYVHPF-DZGCQCFKSA-N 0 3 290.407 2.769 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H]2Cn2nc(C)nc2C)cc1 ZINC000367298517 382564438 /nfs/dbraw/zinc/56/44/38/382564438.db2.gz BXJBXFXDOMZJSI-GOSISDBHSA-N 0 3 294.402 2.541 20 30 CFEDHN C=CCCN(C)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000346831427 382533091 /nfs/dbraw/zinc/53/30/91/382533091.db2.gz YMRYMKRZYZNACU-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Br)cs1 ZINC000320229686 382535678 /nfs/dbraw/zinc/53/56/78/382535678.db2.gz DNXILJFOGGCQKQ-JTQLQIEISA-N 0 3 290.226 2.927 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(OC)cc1F ZINC000320250622 382537657 /nfs/dbraw/zinc/53/76/57/382537657.db2.gz IDAVDWMLYPJPFB-VXGBXAGGSA-N 0 3 267.344 2.812 20 30 CFEDHN C=CCC[C@@H](C(=O)NCCN(C)CC)c1ccccc1 ZINC000189498773 382616805 /nfs/dbraw/zinc/61/68/05/382616805.db2.gz INDSCFDVANASID-MRXNPFEDSA-N 0 3 274.408 2.804 20 30 CFEDHN CO[C@@H](C)CN(Cc1ccc(C#N)cc1F)C(C)C ZINC000353766770 382628506 /nfs/dbraw/zinc/62/85/06/382628506.db2.gz IEVQCPXSQDHDGH-LBPRGKRZSA-N 0 3 264.344 2.943 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000367612627 382578192 /nfs/dbraw/zinc/57/81/92/382578192.db2.gz DPVZNCJFCTZUFW-FUHWJXTLSA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCC[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccco1 ZINC000367615220 382578284 /nfs/dbraw/zinc/57/82/84/382578284.db2.gz KNICUQKZSZZLPH-JKSUJKDBSA-N 0 3 290.407 2.740 20 30 CFEDHN CCc1ccc([C@@H](CO)NCCC(C)(C)C#N)cc1 ZINC000346945044 382580451 /nfs/dbraw/zinc/58/04/51/382580451.db2.gz MOHWEANSTMKCLM-OAHLLOKOSA-N 0 3 260.381 2.812 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000189866753 382643292 /nfs/dbraw/zinc/64/32/92/382643292.db2.gz NKNYJHHVDVDKLE-CJNGLKHVSA-N 0 3 286.375 2.704 20 30 CFEDHN COCCO[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189977368 382647898 /nfs/dbraw/zinc/64/78/98/382647898.db2.gz IEESVTAEXDTFRJ-YOEHRIQHSA-N 0 3 288.391 2.747 20 30 CFEDHN N#CCCC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000399477766 382638944 /nfs/dbraw/zinc/63/89/44/382638944.db2.gz YBDQTWPXTNEPEL-UHFFFAOYSA-N 0 3 266.776 2.552 20 30 CFEDHN Cc1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191173166 382694263 /nfs/dbraw/zinc/69/42/63/382694263.db2.gz GPLAROKAMNXQPL-UHFFFAOYSA-N 0 3 253.349 2.837 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)n(C)c1)Oc1cccc(F)c1 ZINC000191216119 382695924 /nfs/dbraw/zinc/69/59/24/382695924.db2.gz PZDUBXPFXBGBDL-LBPRGKRZSA-N 0 3 287.338 2.593 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)C1CCCCC1 ZINC000191297228 382697927 /nfs/dbraw/zinc/69/79/27/382697927.db2.gz GAYYIZZTBKLAQJ-QGZVFWFLSA-N 0 3 272.392 2.931 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(C)cc2NCC)CC1 ZINC000191348803 382698876 /nfs/dbraw/zinc/69/88/76/382698876.db2.gz LDYAHXZEUSQXBB-UHFFFAOYSA-N 0 3 299.418 2.711 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000191446928 382700478 /nfs/dbraw/zinc/70/04/78/382700478.db2.gz OATHNKFSMXKQES-HOTGVXAUSA-N 0 3 287.407 2.676 20 30 CFEDHN C#CCOc1ccccc1CNCC1(SC)CC1 ZINC000193653080 382722042 /nfs/dbraw/zinc/72/20/42/382722042.db2.gz PVODJWZRLWEISL-UHFFFAOYSA-N 0 3 261.390 2.684 20 30 CFEDHN CC[C@@H](C)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000336826527 382723832 /nfs/dbraw/zinc/72/38/32/382723832.db2.gz QNNRBZAMJAYYOG-OAHLLOKOSA-N 0 3 271.408 2.722 20 30 CFEDHN Cc1cnn(CCN(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000336845591 382733690 /nfs/dbraw/zinc/73/36/90/382733690.db2.gz BNXYEDDZYKXDBP-UHFFFAOYSA-N 0 3 282.391 2.974 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)C1CCN(C2CC2)CC1 ZINC000195392499 382767016 /nfs/dbraw/zinc/76/70/16/382767016.db2.gz ZZUFMRCNAFDHGA-UHFFFAOYSA-N 0 3 283.375 2.680 20 30 CFEDHN CC[C@H]1CO[C@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337143855 382767326 /nfs/dbraw/zinc/76/73/26/382767326.db2.gz VUIXHBALIUCVDL-CABCVRRESA-N 0 3 280.412 2.586 20 30 CFEDHN N#Cc1ccc(CNCCCOCC2CC2)c(F)c1 ZINC000219958405 382794904 /nfs/dbraw/zinc/79/49/04/382794904.db2.gz JHMVTHWOMQXBEA-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@](C)(c3ccc(C)cc3)C2)C1=O ZINC000337259699 382788321 /nfs/dbraw/zinc/78/83/21/382788321.db2.gz VOIXQGCQLCZTHH-HKUYNNGSSA-N 0 3 298.430 2.745 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000337291769 382795506 /nfs/dbraw/zinc/79/55/06/382795506.db2.gz MTZHAJDTWZZOFO-CHWSQXEVSA-N 0 3 266.291 2.808 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cccc(Br)c1 ZINC000289638790 197430151 /nfs/dbraw/zinc/43/01/51/197430151.db2.gz FPTGGEGOJDSHJV-JOYOIKCWSA-N 0 3 270.170 2.647 20 30 CFEDHN C=CCCCN1CCNC[C@H]1c1ccccc1OC ZINC000337079083 382758798 /nfs/dbraw/zinc/75/87/98/382758798.db2.gz TZWTVOCEXYUFMN-HNNXBMFYSA-N 0 3 260.381 2.608 20 30 CFEDHN C=CCC[C@@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337358511 382809282 /nfs/dbraw/zinc/80/92/82/382809282.db2.gz BVBWGTLFYIXLGI-LLVKDONJSA-N 0 3 285.384 2.674 20 30 CFEDHN CC(C)(C)C1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000576108558 382810627 /nfs/dbraw/zinc/81/06/27/382810627.db2.gz DPKQBKKZSPJSIF-UHFFFAOYSA-N 0 3 297.406 2.859 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337460089 382824822 /nfs/dbraw/zinc/82/48/22/382824822.db2.gz KBKILJPEFHZSHY-OCCSQVGLSA-N 0 3 263.385 2.586 20 30 CFEDHN C=C(C)CN(CCN1CCO[C@H](C)C1)Cc1ccccc1 ZINC000337471680 382826267 /nfs/dbraw/zinc/82/62/67/382826267.db2.gz PTEATCAFBVEJDE-QGZVFWFLSA-N 0 3 288.435 2.785 20 30 CFEDHN C=CCSCCNCc1cn2cc(Cl)ccc2n1 ZINC000226647787 382830447 /nfs/dbraw/zinc/83/04/47/382830447.db2.gz VJKXLNFNNARORP-UHFFFAOYSA-N 0 3 281.812 2.997 20 30 CFEDHN C=C(CC)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000494380782 382912507 /nfs/dbraw/zinc/91/25/07/382912507.db2.gz LDTZGNCIGGDLNP-LBPRGKRZSA-N 0 3 254.374 2.552 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000441356709 382908983 /nfs/dbraw/zinc/90/89/83/382908983.db2.gz LNOASUADWBXLIK-SJORKVTESA-N 0 3 286.419 2.865 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC1(C)C ZINC000577802622 382870860 /nfs/dbraw/zinc/87/08/60/382870860.db2.gz DJVIPLFNKVWWKP-HNNXBMFYSA-N 0 3 275.392 2.639 20 30 CFEDHN CCN1CCC[C@@H]1CNc1nc(Cl)c(C#N)s1 ZINC000233488688 382871418 /nfs/dbraw/zinc/87/14/18/382871418.db2.gz NKDVQBDBSGNKQB-MRVPVSSYSA-N 0 3 270.789 2.564 20 30 CFEDHN CCOC[C@@H](NCc1ccc(F)c(C#N)c1)C(C)C ZINC000233735226 382871532 /nfs/dbraw/zinc/87/15/32/382871532.db2.gz COYFGJQXOYXRCF-OAHLLOKOSA-N 0 3 264.344 2.848 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCc1ccc(C#N)cc1F ZINC000577876101 382874007 /nfs/dbraw/zinc/87/40/07/382874007.db2.gz LZUBHDPMFXJZBW-NHYWBVRUSA-N 0 3 264.344 2.584 20 30 CFEDHN COc1cc(CN2C[C@H]3CCC[C@@H]3C2)ccc1C#N ZINC000235005090 382876580 /nfs/dbraw/zinc/87/65/80/382876580.db2.gz AXCYJUPDAVBDHS-HUUCEWRRSA-N 0 3 256.349 2.799 20 30 CFEDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1cccc(C#N)c1 ZINC000235158027 382877831 /nfs/dbraw/zinc/87/78/31/382877831.db2.gz LMWQWCSYYCMZGK-LBPRGKRZSA-N 0 3 289.379 2.561 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000440803973 382883988 /nfs/dbraw/zinc/88/39/88/382883988.db2.gz BGAJIOZVVVYUMY-BDAKNGLRSA-N 0 3 286.253 2.922 20 30 CFEDHN CC[C@@H](C(=O)N1CCc2c1cccc2C#N)N(CC)CC ZINC000421653082 382887041 /nfs/dbraw/zinc/88/70/41/382887041.db2.gz WRPIIXYHABPFJT-HNNXBMFYSA-N 0 3 285.391 2.568 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCC#Cc1ccc(F)cc1 ZINC000440907887 382888625 /nfs/dbraw/zinc/88/86/25/382888625.db2.gz KYHFXFMTTWZBMS-UHFFFAOYSA-N 0 3 291.366 2.889 20 30 CFEDHN N#Cc1ccc(CNC2(CO)CCCC2)c(OC(F)F)c1 ZINC000441020995 382892586 /nfs/dbraw/zinc/89/25/86/382892586.db2.gz AAEGMCUOGVVKQX-UHFFFAOYSA-N 0 3 296.317 2.554 20 30 CFEDHN CCOC(=O)C1(CNCc2ccc(C#N)c(C)c2)CCC1 ZINC000578143756 382895398 /nfs/dbraw/zinc/89/53/98/382895398.db2.gz IXDLMJOZGIYAQS-UHFFFAOYSA-N 0 3 286.375 2.690 20 30 CFEDHN CCCN(Cc1cc(C#N)ccc1OC)CC(C)(C)O ZINC000533462451 382898468 /nfs/dbraw/zinc/89/84/68/382898468.db2.gz DBQHXKWQTGVSLI-UHFFFAOYSA-N 0 3 276.380 2.550 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc3[nH]ccc3c2)o1 ZINC000441195455 382899903 /nfs/dbraw/zinc/89/99/03/382899903.db2.gz DTWXOGFYIJTCMW-UHFFFAOYSA-N 0 3 265.316 2.965 20 30 CFEDHN CC#CCN(C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441220268 382901229 /nfs/dbraw/zinc/90/12/29/382901229.db2.gz BLXIJLJHOGAWDM-UONOGXRCSA-N 0 3 279.811 2.977 20 30 CFEDHN Cc1oc(NC(=O)CN(CC2CC2)C(C)C)c(C#N)c1C ZINC000533493677 382902307 /nfs/dbraw/zinc/90/23/07/382902307.db2.gz WKBKAELULWCXSO-UHFFFAOYSA-N 0 3 289.379 2.827 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H](N(CCCC#N)C2CC2)C1 ZINC000493778442 382902702 /nfs/dbraw/zinc/90/27/02/382902702.db2.gz KLMJWNUNHOMCGV-AWEZNQCLSA-N 0 3 293.411 2.764 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000442635080 382940287 /nfs/dbraw/zinc/94/02/87/382940287.db2.gz OSKCPOGLHMXKAV-YNEHKIRRSA-N 0 3 263.410 2.633 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](N)[C@H](C)CC)c1 ZINC000236978021 382940732 /nfs/dbraw/zinc/94/07/32/382940732.db2.gz WTEHKNPJTJDHGS-RISCZKNCSA-N 0 3 262.353 2.563 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H](C4CC4)C3)o2)c1 ZINC000535014170 382942344 /nfs/dbraw/zinc/94/23/44/382942344.db2.gz WQVJHYSQSDYWDI-HNNXBMFYSA-N 0 3 294.358 2.840 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@]1(C)CCCO1 ZINC000421848708 382945368 /nfs/dbraw/zinc/94/53/68/382945368.db2.gz AMNZHMCIKFQBLK-GWCFXTLKSA-N 0 3 250.367 2.667 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCCOc2ccc(F)cc2F)C1 ZINC000442780726 382955393 /nfs/dbraw/zinc/95/53/93/382955393.db2.gz LFPCSEBTTXIQCN-PWSUYJOCSA-N 0 3 266.291 2.625 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)C1 ZINC000442781196 382955710 /nfs/dbraw/zinc/95/57/10/382955710.db2.gz OBSWTKGDJIVVPD-CBBWQLFWSA-N 0 3 294.345 2.506 20 30 CFEDHN CCN1CCN(c2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442841735 382960070 /nfs/dbraw/zinc/96/00/70/382960070.db2.gz ORQCGMINMUWCQW-WBVHZDCISA-N 0 3 298.434 2.933 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000533942316 382913993 /nfs/dbraw/zinc/91/39/93/382913993.db2.gz ZHKUKUOVZKCJLP-CVEARBPZSA-N 0 3 286.419 2.804 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cc(C#N)ncn2)C1 ZINC000578402091 382916723 /nfs/dbraw/zinc/91/67/23/382916723.db2.gz VTYXKMIPFAETIQ-HIFRSBDPSA-N 0 3 293.374 2.596 20 30 CFEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC000578884081 382963419 /nfs/dbraw/zinc/96/34/19/382963419.db2.gz PIEQWJLIVNGEFD-CQSZACIVSA-N 0 3 277.799 2.738 20 30 CFEDHN Cc1ccc([C@@H](Cn2ccnc2)NC(=O)C(C)C#N)c(C)c1 ZINC000442184462 382931252 /nfs/dbraw/zinc/93/12/52/382931252.db2.gz BXFKDADCVXVEPY-GDBMZVCRSA-N 0 3 296.374 2.517 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccnc(C3CC3)c2)nc(C)n1 ZINC000543059591 382971686 /nfs/dbraw/zinc/97/16/86/382971686.db2.gz WTIBSVWQFHOGJV-AWEZNQCLSA-N 0 3 292.342 2.856 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000543748071 382972607 /nfs/dbraw/zinc/97/26/07/382972607.db2.gz JCPQYSCVQYZKGA-GJZGRUSLSA-N 0 3 275.392 2.844 20 30 CFEDHN CCC(=O)N[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444613184 382975136 /nfs/dbraw/zinc/97/51/36/382975136.db2.gz UCPYZMBYKSJRQJ-AWEZNQCLSA-N 0 3 279.428 2.697 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1CCCCC(C)(C)C#N ZINC000444670344 382975988 /nfs/dbraw/zinc/97/59/88/382975988.db2.gz HVGHDVQCSXJJQI-UONOGXRCSA-N 0 3 251.418 2.731 20 30 CFEDHN CCN(CCCCC(C)(C)C#N)C[C@@H](O)C(F)(F)F ZINC000444679791 382976570 /nfs/dbraw/zinc/97/65/70/382976570.db2.gz CIVWODDKFNIFDI-LLVKDONJSA-N 0 3 280.334 2.952 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@@H](COC(C)C)C1 ZINC000545326847 382977486 /nfs/dbraw/zinc/97/74/86/382977486.db2.gz CHCMWNQGPVYFRV-HUUCEWRRSA-N 0 3 255.402 2.857 20 30 CFEDHN C[C@H]1[C@H](C)N(CCCCC(C)(C)C#N)CCN1C ZINC000444687595 382977543 /nfs/dbraw/zinc/97/75/43/382977543.db2.gz GZGVKRNQUJMXML-KBPBESRZSA-N 0 3 251.418 2.731 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@H](COC(C)C)C1 ZINC000545326846 382977585 /nfs/dbraw/zinc/97/75/85/382977585.db2.gz CHCMWNQGPVYFRV-GJZGRUSLSA-N 0 3 255.402 2.857 20 30 CFEDHN CCC[C@@]1(C(=O)OCC)CCCN1CCCCC#N ZINC000444775709 382981173 /nfs/dbraw/zinc/98/11/73/382981173.db2.gz AAUQNDAUJFHIIF-HNNXBMFYSA-N 0 3 266.385 2.878 20 30 CFEDHN C=CCOCCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495731178 383018784 /nfs/dbraw/zinc/01/87/84/383018784.db2.gz SALFCMOUQBQVNX-AWEZNQCLSA-N 0 3 298.427 2.520 20 30 CFEDHN CC(C)[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000446732635 382991822 /nfs/dbraw/zinc/99/18/22/382991822.db2.gz UMDLLGASVMMXAE-OAHLLOKOSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCOCCN1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000495597952 383000871 /nfs/dbraw/zinc/00/08/71/383000871.db2.gz XMDPEFYFOWPYON-CQSZACIVSA-N 0 3 298.427 2.520 20 30 CFEDHN C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000495608043 383001650 /nfs/dbraw/zinc/00/16/50/383001650.db2.gz ZYNJGHFGKUJXOI-NSHDSACASA-N 0 3 293.367 2.544 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000579349183 383005331 /nfs/dbraw/zinc/00/53/31/383005331.db2.gz DLQXRRNTXNNKNV-MGPQQGTHSA-N 0 3 280.412 2.978 20 30 CFEDHN C=CCOCCN1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000495650444 383007979 /nfs/dbraw/zinc/00/79/79/383007979.db2.gz IIEIURPKUHWNMD-CQSZACIVSA-N 0 3 298.427 2.568 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000443644310 382969216 /nfs/dbraw/zinc/96/92/16/382969216.db2.gz XXNYUMNPZABSEE-HUUCEWRRSA-N 0 3 264.413 2.555 20 30 CFEDHN C[C@@H](C(=O)Nc1ccccc1CC#N)N1[C@H](C)CC[C@@H]1C ZINC000580215190 383078038 /nfs/dbraw/zinc/07/80/38/383078038.db2.gz QNFNBKICTMDXHG-MJBXVCDLSA-N 0 3 285.391 2.952 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000447975815 383037436 /nfs/dbraw/zinc/03/74/36/383037436.db2.gz ICBUMQUETBGOKS-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](CC)CC(F)F)CC1 ZINC000457537383 383040852 /nfs/dbraw/zinc/04/08/52/383040852.db2.gz FDESHWAOFDYZGR-LBPRGKRZSA-N 0 3 288.382 2.825 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCCCC#N ZINC000495991347 383051880 /nfs/dbraw/zinc/05/18/80/383051880.db2.gz JVOSSADROBUYKS-STQMWFEESA-N 0 3 281.400 2.668 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000246088757 383061847 /nfs/dbraw/zinc/06/18/47/383061847.db2.gz JCVOYUMTQLBWPI-GJZGRUSLSA-N 0 3 278.440 2.991 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000448541113 383063813 /nfs/dbraw/zinc/06/38/13/383063813.db2.gz DLHSQZMGNPSRDQ-GFCCVEGCSA-N 0 3 276.299 2.756 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1CC(C)C ZINC000246473116 383077905 /nfs/dbraw/zinc/07/79/05/383077905.db2.gz GXMIPGCGYAGKJO-HOTGVXAUSA-N 0 3 293.455 2.895 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)CC2(C#N)CC2)N(C)C)cc1 ZINC000590133095 383120553 /nfs/dbraw/zinc/12/05/53/383120553.db2.gz PUYDBZLNSDTWLT-INIZCTEOSA-N 0 3 299.418 2.662 20 30 CFEDHN C=CC(C)(C)C(=O)NCCN1CCCC[C@H]1CC ZINC000448980797 383122024 /nfs/dbraw/zinc/12/20/24/383122024.db2.gz CJKQMBGAMWGALG-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C1CCN(C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496618928 383122634 /nfs/dbraw/zinc/12/26/34/383122634.db2.gz VHXAGSBMDXVXTA-YOEHRIQHSA-N 0 3 292.423 2.895 20 30 CFEDHN CC(C)(C)OC(=O)NCC1(CNCC2(C#N)CCC2)CC1 ZINC000496649152 383122678 /nfs/dbraw/zinc/12/26/78/383122678.db2.gz JOPTVVAOLXPCPV-UHFFFAOYSA-N 0 3 293.411 2.575 20 30 CFEDHN C=C(CC)CN1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496711717 383123479 /nfs/dbraw/zinc/12/34/79/383123479.db2.gz DYVLIUYDEFWJSV-CQSZACIVSA-N 0 3 298.427 2.568 20 30 CFEDHN C=C(C)CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000496726457 383123660 /nfs/dbraw/zinc/12/36/60/383123660.db2.gz IHDPBMCTXYETPT-KBPBESRZSA-N 0 3 280.412 2.894 20 30 CFEDHN CN(C)[C@@H](CC(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000597905762 383129399 /nfs/dbraw/zinc/12/93/99/383129399.db2.gz RHGGTMACGWCTKX-WBVHZDCISA-N 0 3 299.418 2.832 20 30 CFEDHN Cc1ccccc1CC1CN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000601961172 383130383 /nfs/dbraw/zinc/13/03/83/383130383.db2.gz ZOFCDTHRAAOMBS-QGZVFWFLSA-N 0 3 284.403 2.524 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000554889464 383147381 /nfs/dbraw/zinc/14/73/81/383147381.db2.gz OJQCTHMMIRFRPH-RHSMWYFYSA-N 0 3 280.375 2.713 20 30 CFEDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)Nc1ccccc1C#N ZINC000554404518 383133954 /nfs/dbraw/zinc/13/39/54/383133954.db2.gz FMNNSKUXYIHVOK-SMDDNHRTSA-N 0 3 271.364 2.663 20 30 CFEDHN C=CCN1CC[C@@H](NC(C)(C)c2ccc(CC)cc2)C1=O ZINC000499606606 383135247 /nfs/dbraw/zinc/13/52/47/383135247.db2.gz ORAWLIGOMLVQOS-MRXNPFEDSA-N 0 3 286.419 2.861 20 30 CFEDHN CC(C)CC[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246585334 383083488 /nfs/dbraw/zinc/08/34/88/383083488.db2.gz CKIFAKQXNUGFGQ-NVXWUHKLSA-N 0 3 291.439 2.695 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@]2(C#N)C[C@@H]2C)N(C)C)cc1 ZINC000448609180 383086111 /nfs/dbraw/zinc/08/61/11/383086111.db2.gz ZIJIRANSDVLEMB-OWQGQXMQSA-N 0 3 299.418 2.518 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000338923401 383087445 /nfs/dbraw/zinc/08/74/45/383087445.db2.gz UYDYUUMPDHQACZ-INIZCTEOSA-N 0 3 276.355 2.763 20 30 CFEDHN C[C@H](C#N)CN[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000496361940 383093000 /nfs/dbraw/zinc/09/30/00/383093000.db2.gz NKZQEVQCHPGLDR-MCIONIFRSA-N 0 3 295.427 2.771 20 30 CFEDHN C[C@H](C#N)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000583980804 383094775 /nfs/dbraw/zinc/09/47/75/383094775.db2.gz KDVRHHXISPQZGG-CQSZACIVSA-N 0 3 285.391 2.562 20 30 CFEDHN C=CCN1CCC(NC(=O)c2scnc2C(C)C)CC1 ZINC000448920010 383107487 /nfs/dbraw/zinc/10/74/87/383107487.db2.gz FADWRWLYYPKMKZ-UHFFFAOYSA-N 0 3 293.436 2.647 20 30 CFEDHN Cc1nnc(NC[C@H](C)N2CCCC[C@H]2C)c(C#N)c1C ZINC000339000708 383114312 /nfs/dbraw/zinc/11/43/12/383114312.db2.gz CUMDOWDFMVEGCH-NEPJUHHUSA-N 0 3 287.411 2.640 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000339162565 383172520 /nfs/dbraw/zinc/17/25/20/383172520.db2.gz ACEMVQZHCWFGLP-BPQIPLTHSA-N 0 3 284.403 2.705 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000339162567 383172614 /nfs/dbraw/zinc/17/26/14/383172614.db2.gz ACEMVQZHCWFGLP-NJAFHUGGSA-N 0 3 284.403 2.705 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H](C)CC ZINC000247454528 383173977 /nfs/dbraw/zinc/17/39/77/383173977.db2.gz DYKBETGWMIJUJV-UONOGXRCSA-N 0 3 252.402 2.553 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000565546617 383179221 /nfs/dbraw/zinc/17/92/21/383179221.db2.gz ZUBUMRGCVHVMLO-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCCCN1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000566050332 383182803 /nfs/dbraw/zinc/18/28/03/383182803.db2.gz ZLHGDGFRXJPXID-CBBWQLFWSA-N 0 3 281.396 2.526 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2n[nH]cc2c1 ZINC000339195698 383183033 /nfs/dbraw/zinc/18/30/33/383183033.db2.gz ODZBHZLGCUCDOY-MISXGVKJSA-N 0 3 254.337 2.906 20 30 CFEDHN C=CCOCCN1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000339203517 383183222 /nfs/dbraw/zinc/18/32/22/383183222.db2.gz YNAWYLOMWOEVJU-GOEBONIOSA-N 0 3 295.810 2.550 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000248141277 383214814 /nfs/dbraw/zinc/21/48/14/383214814.db2.gz UBMPGQNLSPLTFI-INIZCTEOSA-N 0 3 280.375 2.538 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@H]1CCCN1CC ZINC000566432680 383187167 /nfs/dbraw/zinc/18/71/67/383187167.db2.gz HUHMREIKLVCWNI-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN CC[C@H]1CN(C)CCN1CC#Cc1cccc(Cl)c1 ZINC000566557715 383188062 /nfs/dbraw/zinc/18/80/62/383188062.db2.gz IOVZNZUXHKFHSU-INIZCTEOSA-N 0 3 276.811 2.718 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000566660459 383197924 /nfs/dbraw/zinc/19/79/24/383197924.db2.gz LRTPCYVMOXHHQJ-KGLIPLIRSA-N 0 3 294.782 2.602 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000247980059 383204204 /nfs/dbraw/zinc/20/42/04/383204204.db2.gz HITQVPIVKBQYPL-DOTOQJQBSA-N 0 3 272.392 2.904 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCc2c1cccc2Br ZINC000289787344 197484206 /nfs/dbraw/zinc/48/42/06/197484206.db2.gz NATYYDVYONFIKU-ZANVPECISA-N 0 3 282.181 2.573 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1C(C)C ZINC000247201376 383151752 /nfs/dbraw/zinc/15/17/52/383151752.db2.gz TWSGSIRSSQILFV-CABCVRRESA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCOCCN1CC2(CCCC2)OC(C)(C)C1 ZINC000339113620 383153719 /nfs/dbraw/zinc/15/37/19/383153719.db2.gz IGSPUJKOBSXHSG-UHFFFAOYSA-N 0 3 253.386 2.613 20 30 CFEDHN Cc1cnc(CNC(=O)C(C#N)CCc2ccccc2)s1 ZINC000562417432 383157670 /nfs/dbraw/zinc/15/76/70/383157670.db2.gz XZCLJFUSILGGLR-AWEZNQCLSA-N 0 3 299.399 2.840 20 30 CFEDHN COc1ccc([C@@H](CCC#N)NCCc2cncn2C)cc1 ZINC000562498710 383159151 /nfs/dbraw/zinc/15/91/51/383159151.db2.gz GUKDPBWRWQRJEY-QGZVFWFLSA-N 0 3 298.390 2.606 20 30 CFEDHN C=CCCCCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000562539684 383159872 /nfs/dbraw/zinc/15/98/72/383159872.db2.gz SFKLFTLUWOURHT-AWEZNQCLSA-N 0 3 273.442 2.632 20 30 CFEDHN Cc1ccc2cccc(NC(=O)[C@H](N)CCCC#N)c2n1 ZINC000515486420 383160096 /nfs/dbraw/zinc/16/00/96/383160096.db2.gz LKLYSFGZCLCCJO-CYBMUJFWSA-N 0 3 282.347 2.503 20 30 CFEDHN COc1cccc([C@@H]2C[C@H]2CNC[C@H](C#N)CCC#N)c1 ZINC000516030164 383162530 /nfs/dbraw/zinc/16/25/30/383162530.db2.gz QVXGJIKFHRJFAK-QRTARXTBSA-N 0 3 283.375 2.832 20 30 CFEDHN C=CCn1cccc1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000563764455 383168007 /nfs/dbraw/zinc/16/80/07/383168007.db2.gz MXBGUGRDQQUXCA-UHFFFAOYSA-N 0 3 289.423 2.621 20 30 CFEDHN CCC(CC)CN1CCN(c2cnccc2C#N)CC1 ZINC000517067449 383169282 /nfs/dbraw/zinc/16/92/82/383169282.db2.gz KJPIDRPPZFDPOI-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN N#CC1(NC(=O)CN(CC2CC2)C2CCC2)CCCCC1 ZINC000567323827 383262104 /nfs/dbraw/zinc/26/21/04/383262104.db2.gz HDWFLUOWDAKRFW-UHFFFAOYSA-N 0 3 289.423 2.594 20 30 CFEDHN COC[C@@]1(C)CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000449396099 383263106 /nfs/dbraw/zinc/26/31/06/383263106.db2.gz RJVWJQLOOUHZBD-INIZCTEOSA-N 0 3 258.365 2.725 20 30 CFEDHN C=CCOCCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000339656450 383276206 /nfs/dbraw/zinc/27/62/06/383276206.db2.gz AYFRZBXEPUXXKN-HNNXBMFYSA-N 0 3 281.783 2.996 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248633831 383276402 /nfs/dbraw/zinc/27/64/02/383276402.db2.gz SJZXWRJOGLKELZ-AEFFLSMTSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000248180819 383218595 /nfs/dbraw/zinc/21/85/95/383218595.db2.gz WKBJAWMENWDXTI-GOEBONIOSA-N 0 3 260.381 2.854 20 30 CFEDHN CC1(C)[C@H](NCc2ccccc2C#N)[C@@H]2CCCO[C@H]21 ZINC000339500743 383218808 /nfs/dbraw/zinc/21/88/08/383218808.db2.gz ADNWTEHUYDEPAO-ARFHVFGLSA-N 0 3 270.376 2.851 20 30 CFEDHN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(CC#N)cc1 ZINC000519549782 383224088 /nfs/dbraw/zinc/22/40/88/383224088.db2.gz ZVVFEFANCATVBM-MRXNPFEDSA-N 0 3 280.375 2.653 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCN1CC ZINC000424670357 383226401 /nfs/dbraw/zinc/22/64/01/383226401.db2.gz VRSWHAVZULHTNW-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000519614991 383230861 /nfs/dbraw/zinc/23/08/61/383230861.db2.gz PJNWRHNLNKCVFL-UKRRQHHQSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1cccc(C#N)n1 ZINC000248388597 383232443 /nfs/dbraw/zinc/23/24/43/383232443.db2.gz FHJCYPZRMLNGCE-WMLDXEAASA-N 0 3 292.386 2.886 20 30 CFEDHN CC(C)[C@@H]1C[C@@H](CNCc2ccc(C#N)o2)CCO1 ZINC000449489535 383327540 /nfs/dbraw/zinc/32/75/40/383327540.db2.gz AIOPVCTUBNZLSJ-WFASDCNBSA-N 0 3 262.353 2.692 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000249141301 383330862 /nfs/dbraw/zinc/33/08/62/383330862.db2.gz QTZVAZAUQYBCCM-GDBMZVCRSA-N 0 3 295.390 2.623 20 30 CFEDHN C=CCCCCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248744348 383287501 /nfs/dbraw/zinc/28/75/01/383287501.db2.gz SETJKDXVNCVRFG-CABCVRRESA-N 0 3 253.386 2.613 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339709117 383294454 /nfs/dbraw/zinc/29/44/54/383294454.db2.gz BGNMVAGSSXAQJJ-QLFBSQMISA-N 0 3 291.439 2.505 20 30 CFEDHN CC#CCN(C)Cc1ccc(-n2ccnc2)cc1C ZINC000339761036 383307201 /nfs/dbraw/zinc/30/72/01/383307201.db2.gz ZONKKGFQNGHVNJ-UHFFFAOYSA-N 0 3 253.349 2.636 20 30 CFEDHN CC#CCN(C)CC1(COc2cccc(COC)c2)CC1 ZINC000339758669 383307832 /nfs/dbraw/zinc/30/78/32/383307832.db2.gz WDWUDAFUZVHVOE-UHFFFAOYSA-N 0 3 287.403 2.947 20 30 CFEDHN C=CC(C)(C)CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000449485071 383324476 /nfs/dbraw/zinc/32/44/76/383324476.db2.gz KRORPWDBILTQQV-ZDUSSCGKSA-N 0 3 281.421 2.651 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C[C@@H](O)CCC ZINC000450275602 383389082 /nfs/dbraw/zinc/38/90/82/383389082.db2.gz GEZAQIPJBRIXPC-HNNXBMFYSA-N 0 3 263.381 2.844 20 30 CFEDHN CO[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[C@@H]1C ZINC000251615625 383392273 /nfs/dbraw/zinc/39/22/73/383392273.db2.gz GIQVTILMSNIAHM-WOSRLPQWSA-N 0 3 258.365 2.976 20 30 CFEDHN CN(C)CCN(C)c1c(C#N)cnc2c(Cl)cccc21 ZINC000568385575 383396641 /nfs/dbraw/zinc/39/66/41/383396641.db2.gz LDTBWCRKNZMFFO-UHFFFAOYSA-N 0 3 288.782 2.758 20 30 CFEDHN CC[C@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000568587880 383415860 /nfs/dbraw/zinc/41/58/60/383415860.db2.gz UUQGJAZVUAWCHP-INIZCTEOSA-N 0 3 276.811 2.718 20 30 CFEDHN CN(C)Cc1ccccc1CNC(=O)c1cscc1C#N ZINC000340300179 383409419 /nfs/dbraw/zinc/40/94/19/383409419.db2.gz CLYMGVQLETYLFH-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2c(c1)CCCC2 ZINC000449517435 383351878 /nfs/dbraw/zinc/35/18/78/383351878.db2.gz FPNLMWAMVVATAH-SJORKVTESA-N 0 3 257.377 2.999 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449523712 383353210 /nfs/dbraw/zinc/35/32/10/383353210.db2.gz YDZZBCNBMJQJIZ-DOMBMUJNSA-N 0 3 274.320 2.541 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Cl)cc1F ZINC000449524162 383353473 /nfs/dbraw/zinc/35/34/73/383353473.db2.gz ZFKJVEDJGKLZGM-OLZOCXBDSA-N 0 3 255.720 2.912 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2COCC2(C)C)cc1OC ZINC000449618840 383357569 /nfs/dbraw/zinc/35/75/69/383357569.db2.gz LZAHQKGJGCXBDD-INIZCTEOSA-N 0 3 291.391 2.775 20 30 CFEDHN CC[C@@H](C)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000449625420 383357849 /nfs/dbraw/zinc/35/78/49/383357849.db2.gz RTKIYWXPCFUFRY-CQSZACIVSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CCCC1 ZINC000450075557 383380055 /nfs/dbraw/zinc/38/00/55/383380055.db2.gz OLDNSMVLTCPHKJ-KBPBESRZSA-N 0 3 276.424 2.864 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000425471128 383380475 /nfs/dbraw/zinc/38/04/75/383380475.db2.gz GOGDRPOTVMTFFQ-JKSUJKDBSA-N 0 3 291.439 2.515 20 30 CFEDHN CC(C)[C@@H]1CN(C)CCN1CC#Cc1cccc(Cl)c1 ZINC000425471404 383380550 /nfs/dbraw/zinc/38/05/50/383380550.db2.gz HKIINGFZRATVDT-KRWDZBQOSA-N 0 3 290.838 2.964 20 30 CFEDHN C[C@H]1CC[C@H](N(CCO)Cc2ccccc2C#N)C1 ZINC000340205935 383381264 /nfs/dbraw/zinc/38/12/64/383381264.db2.gz ISKBJTUZQGYAIF-BBRMVZONSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H]1CCNC(=O)CC1 ZINC000450220777 383386509 /nfs/dbraw/zinc/38/65/09/383386509.db2.gz LCNJTSXDNRUAKL-CYBMUJFWSA-N 0 3 278.421 2.652 20 30 CFEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CCCC#N ZINC000425607177 383387748 /nfs/dbraw/zinc/38/77/48/383387748.db2.gz NLOUYTBTSJTQFU-OAHLLOKOSA-N 0 3 285.391 2.590 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)c1ccccc1CN(C)C ZINC000487667282 383480775 /nfs/dbraw/zinc/48/07/75/383480775.db2.gz GIFDAYTXNXXBAE-CQSZACIVSA-N 0 3 260.381 2.833 20 30 CFEDHN N#CCC1(CNCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000568754676 383433852 /nfs/dbraw/zinc/43/38/52/383433852.db2.gz OCCBVMPWVOPHEO-UHFFFAOYSA-N 0 3 291.782 2.952 20 30 CFEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC#Cc1ccccc1 ZINC000484071560 383454391 /nfs/dbraw/zinc/45/43/91/383454391.db2.gz NRHREECVBRYJPD-AEFFLSMTSA-N 0 3 285.387 2.750 20 30 CFEDHN CC[C@H](NCc1cccc(F)c1C#N)C1CCOCC1 ZINC000428347959 383455772 /nfs/dbraw/zinc/45/57/72/383455772.db2.gz OGACVCHRIVHMII-INIZCTEOSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255044553 383474223 /nfs/dbraw/zinc/47/42/23/383474223.db2.gz UDCHLLMSEKTXIN-YFHOEESVSA-N 0 3 256.393 2.894 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cccc(C#N)c1 ZINC000341052739 383545409 /nfs/dbraw/zinc/54/54/09/383545409.db2.gz FOVVTDDNBTXFAF-ZIAGYGMSSA-N 0 3 285.391 2.551 20 30 CFEDHN CC(C)[C@H]1CN(Cc2ccc(CC#N)cc2)CCN1C ZINC000487980829 383483923 /nfs/dbraw/zinc/48/39/23/383483923.db2.gz MAALRIQBAJUMEF-QGZVFWFLSA-N 0 3 271.408 2.525 20 30 CFEDHN COCC[C@H]1CCCCN(CC2(C#N)CCC2)C1 ZINC000450760155 383486822 /nfs/dbraw/zinc/48/68/22/383486822.db2.gz QTEBBAXEFNYXCW-CQSZACIVSA-N 0 3 250.386 2.819 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C)[C@H]2C)CCCC1 ZINC000450795452 383494032 /nfs/dbraw/zinc/49/40/32/383494032.db2.gz OGKLTVCHFSENLC-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN Cc1cc(CN(C)CCc2ccccn2)ccc1C#N ZINC000488124193 383498725 /nfs/dbraw/zinc/49/87/25/383498725.db2.gz JXUZMDATEQEVOK-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN COc1ccc(OCCN2CCC(CC#N)CC2)cc1 ZINC000260447977 383504845 /nfs/dbraw/zinc/50/48/45/383504845.db2.gz IAIHKGABKWMKKJ-UHFFFAOYSA-N 0 3 274.364 2.700 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CSC)C1 ZINC000429279255 383508824 /nfs/dbraw/zinc/50/88/24/383508824.db2.gz ZXYQJPYIEKPPGF-GJZGRUSLSA-N 0 3 298.496 2.875 20 30 CFEDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)c(C)c1 ZINC000488265188 383510725 /nfs/dbraw/zinc/51/07/25/383510725.db2.gz LTQRCLSBPVSPLT-CYBMUJFWSA-N 0 3 274.364 2.640 20 30 CFEDHN COc1ccc([C@@H](CCC#N)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000570272741 383588757 /nfs/dbraw/zinc/58/87/57/383588757.db2.gz UADXSQOGCZILPT-MAUKXSAKSA-N 0 3 299.418 2.866 20 30 CFEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000570272742 383588906 /nfs/dbraw/zinc/58/89/06/383588906.db2.gz UADXSQOGCZILPT-QAPCUYQASA-N 0 3 299.418 2.866 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc(F)c1F ZINC000429709773 383562488 /nfs/dbraw/zinc/56/24/88/383562488.db2.gz RXIRAYXGMJTKAH-UHFFFAOYSA-N 0 3 268.351 2.905 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccc1)C(C)(C)CO ZINC000429728143 383563549 /nfs/dbraw/zinc/56/35/49/383563549.db2.gz YHPUCDLTDDIESJ-CVEARBPZSA-N 0 3 277.408 2.663 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cc2ccccc2[nH]c1=O ZINC000429721876 383564122 /nfs/dbraw/zinc/56/41/22/383564122.db2.gz OMSGWKISWOWSKV-UHFFFAOYSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000429810956 383571149 /nfs/dbraw/zinc/57/11/49/383571149.db2.gz QFAFJHUUWHQZRL-UONOGXRCSA-N 0 3 266.429 2.825 20 30 CFEDHN CN(CC(=O)Nc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000489896014 383641630 /nfs/dbraw/zinc/64/16/30/383641630.db2.gz ZXANTVBLLNYIEK-UHFFFAOYSA-N 0 3 271.364 2.761 20 30 CFEDHN CO[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000451549420 383642705 /nfs/dbraw/zinc/64/27/05/383642705.db2.gz SXQWLWDEFCVMEB-XJKCOSOUSA-N 0 3 258.365 2.976 20 30 CFEDHN CN1CCN(Cc2ccc(Cl)cc2C#N)CC1(C)C ZINC000570940171 383650116 /nfs/dbraw/zinc/65/01/16/383650116.db2.gz QKFRROCPGJKZQA-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451501136 383629644 /nfs/dbraw/zinc/62/96/44/383629644.db2.gz ZAGNFRXLTGDITK-GDBMZVCRSA-N 0 3 276.355 2.991 20 30 CFEDHN N#Cc1ccc(OCCN2CCSC[C@H]2C2CC2)cc1 ZINC000451652371 383676823 /nfs/dbraw/zinc/67/68/23/383676823.db2.gz YKQBDOWOHFAUFC-INIZCTEOSA-N 0 3 288.416 2.764 20 30 CFEDHN CCN(CC)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433023050 383752810 /nfs/dbraw/zinc/75/28/10/383752810.db2.gz NAFBFJRUXAOGSI-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN Cc1noc(C)c1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433309595 383760502 /nfs/dbraw/zinc/76/05/02/383760502.db2.gz BLDCXJOIMFNFDC-OAHLLOKOSA-N 0 3 297.358 2.680 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529907861 383762526 /nfs/dbraw/zinc/76/25/26/383762526.db2.gz ZWCQANTVXLPYDZ-SUMWQHHRSA-N 0 3 284.359 2.532 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433900768 383764132 /nfs/dbraw/zinc/76/41/32/383764132.db2.gz JUDWDOAJKQMFBW-HNNXBMFYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC(C)(C)CC1 ZINC000434693731 383771005 /nfs/dbraw/zinc/77/10/05/383771005.db2.gz HJVCUNAFBCIXJL-CQSZACIVSA-N 0 3 296.480 2.793 20 30 CFEDHN Cc1ccccc1CCN(C)Cc1ccc(C#N)cn1 ZINC000572421249 383780177 /nfs/dbraw/zinc/78/01/77/383780177.db2.gz YVBSXTIHFBAGLV-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN Cc1c(F)cccc1NC(=O)CCN1CCC(C#N)CC1 ZINC000435448825 383775768 /nfs/dbraw/zinc/77/57/68/383775768.db2.gz KXKPEAWSLZCBCL-UHFFFAOYSA-N 0 3 289.354 2.698 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451616472 383668526 /nfs/dbraw/zinc/66/85/26/383668526.db2.gz VVOXGTNYMMMSRF-IAGOWNOFSA-N 0 3 288.366 2.584 20 30 CFEDHN CC#CCN(Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000640017143 383673004 /nfs/dbraw/zinc/67/30/04/383673004.db2.gz UXFIKIYDGICLNI-OAHLLOKOSA-N 0 3 275.392 2.682 20 30 CFEDHN C[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc(C#N)cc1F ZINC000436299734 383803093 /nfs/dbraw/zinc/80/30/93/383803093.db2.gz HBWQNAXHWZBOTK-BIBXISHDSA-N 0 3 294.395 2.649 20 30 CFEDHN C#CCOc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1 ZINC000264933581 383804223 /nfs/dbraw/zinc/80/42/23/383804223.db2.gz BYRATLLLJYFKFD-KRWDZBQOSA-N 0 3 295.386 2.599 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(C(=O)OC)co1 ZINC000280968812 195050599 /nfs/dbraw/zinc/05/05/99/195050599.db2.gz ZWBGZCDYPZPFMQ-XUJVJEKNSA-N 0 3 293.363 2.698 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)CCC(C)(C)C ZINC000646027723 383827861 /nfs/dbraw/zinc/82/78/61/383827861.db2.gz ZEUYMEGQZACDTP-UHFFFAOYSA-N 0 3 252.402 2.555 20 30 CFEDHN CC(C)[C@@H]1CN(C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000436485566 383823544 /nfs/dbraw/zinc/82/35/44/383823544.db2.gz PDOBDBHXPURYQS-KRWDZBQOSA-N 0 3 290.838 2.964 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000453378024 383849227 /nfs/dbraw/zinc/84/92/27/383849227.db2.gz YKSHNIMZUWNFFG-WQVCFCJDSA-N 0 3 256.349 2.942 20 30 CFEDHN C[C@@H](N[C@H](CO)CC1CCC1)c1ccc(C#N)c(F)c1 ZINC000280993068 195060801 /nfs/dbraw/zinc/06/08/01/195060801.db2.gz MXFLKZXBUDVQAY-ABAIWWIYSA-N 0 3 276.355 2.899 20 30 CFEDHN C=C[C@H](CC(=O)NC1(CN(C)C)CCC1)c1ccccc1 ZINC000280994065 195061589 /nfs/dbraw/zinc/06/15/89/195061589.db2.gz CPHZRIMOGJOCDZ-OAHLLOKOSA-N 0 3 286.419 2.947 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)o1)C1(CO)CCCC1 ZINC000453597603 383868147 /nfs/dbraw/zinc/86/81/47/383868147.db2.gz CSPWSNXAMPSIHE-HNNXBMFYSA-N 0 3 276.380 2.818 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000265231482 383868765 /nfs/dbraw/zinc/86/87/65/383868765.db2.gz IPEVJCXFIJHDGJ-LLVKDONJSA-N 0 3 289.297 2.563 20 30 CFEDHN C=CCCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640565428 383830145 /nfs/dbraw/zinc/83/01/45/383830145.db2.gz YFCFTVODFFHBSE-OLZOCXBDSA-N 0 3 273.298 2.687 20 30 CFEDHN N#Cc1cnn2cc(CN(C3CC3)C3CCCC3)cnc12 ZINC000573325141 383908915 /nfs/dbraw/zinc/90/89/15/383908915.db2.gz SBIFUFDMOIZTKZ-UHFFFAOYSA-N 0 3 281.363 2.508 20 30 CFEDHN CC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)N(CC)CC ZINC000265431657 383914120 /nfs/dbraw/zinc/91/41/20/383914120.db2.gz CKBGYSBSJVZNNM-CQSZACIVSA-N 0 3 277.343 2.756 20 30 CFEDHN CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(CC)CC ZINC000265466891 383923619 /nfs/dbraw/zinc/92/36/19/383923619.db2.gz RBCDLJBIJIUJPY-HNNXBMFYSA-N 0 3 273.380 2.812 20 30 CFEDHN C=CCCCN1CCN(CCOc2ccccc2)CC1 ZINC000265471893 383925366 /nfs/dbraw/zinc/92/53/66/383925366.db2.gz PTSXRHFJELZXNL-UHFFFAOYSA-N 0 3 274.408 2.649 20 30 CFEDHN CC(C)(C)CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000265477795 383927013 /nfs/dbraw/zinc/92/70/13/383927013.db2.gz BTTBHZIJDOKMSD-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN CCC(CC)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000573249786 383898356 /nfs/dbraw/zinc/89/83/56/383898356.db2.gz CDNQNCNJZXPNJG-UHFFFAOYSA-N 0 3 283.379 2.754 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000438343210 383987275 /nfs/dbraw/zinc/98/72/75/383987275.db2.gz RMCFUAOATRTZJV-MRXNPFEDSA-N 0 3 275.392 2.844 20 30 CFEDHN N#CC1(CN2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CC1 ZINC000573786668 383989998 /nfs/dbraw/zinc/98/99/98/383989998.db2.gz MVBLQZPDTAACCU-JTQLQIEISA-N 0 3 298.312 2.912 20 30 CFEDHN C=C(Cl)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000265578286 383949853 /nfs/dbraw/zinc/94/98/53/383949853.db2.gz WCWODEQWZUKAKJ-UHFFFAOYSA-N 0 3 278.783 2.765 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)C1(C#N)CC(C)C1 ZINC000532081035 383970024 /nfs/dbraw/zinc/97/00/24/383970024.db2.gz LNMMLZVNZRRFBR-UHFFFAOYSA-N 0 3 285.391 2.935 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000637322997 384030475 /nfs/dbraw/zinc/03/04/75/384030475.db2.gz FTUYYUKYWRIMKI-QGZVFWFLSA-N 0 3 293.455 2.716 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](C)C(C)(C)C ZINC000532928566 384083661 /nfs/dbraw/zinc/08/36/61/384083661.db2.gz NYTUTTSWDKZVRR-CYBMUJFWSA-N 0 3 252.402 2.553 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000532928568 384084439 /nfs/dbraw/zinc/08/44/39/384084439.db2.gz NYTUTTSWDKZVRR-ZDUSSCGKSA-N 0 3 252.402 2.553 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000646927285 384095912 /nfs/dbraw/zinc/09/59/12/384095912.db2.gz HQMRYHPBJVITCI-YESZJQIVSA-N 0 3 284.403 2.509 20 30 CFEDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2OC)cc1C#N ZINC000266149701 384094294 /nfs/dbraw/zinc/09/42/94/384094294.db2.gz JZSYHZWLYLBURB-ZBFHGGJFSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000637622174 384139090 /nfs/dbraw/zinc/13/90/90/384139090.db2.gz YYVZEKAIEQJRSH-LSDHHAIUSA-N 0 3 293.455 2.714 20 30 CFEDHN COCCOC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118400217 285084649 /nfs/dbraw/zinc/08/46/49/285084649.db2.gz VREQXBSGHRVDHA-AWEZNQCLSA-N 0 3 288.391 2.747 20 30 CFEDHN CC[C@]1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000266586773 384203613 /nfs/dbraw/zinc/20/36/13/384203613.db2.gz KIWVRLITGJGRMV-GOSISDBHSA-N 0 3 299.418 2.687 20 30 CFEDHN C=C(C)CN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277122383 384207377 /nfs/dbraw/zinc/20/73/77/384207377.db2.gz HWJAQGHAWMJKFZ-AWEZNQCLSA-N 0 3 257.337 2.828 20 30 CFEDHN C#CCCN1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000277253023 384244304 /nfs/dbraw/zinc/24/43/04/384244304.db2.gz QKFVLGVCXHOVFI-UHFFFAOYSA-N 0 3 292.404 2.523 20 30 CFEDHN CN(C)[C@]1(CNc2ccc(F)cc2C#N)CCSC1 ZINC000267104311 384300783 /nfs/dbraw/zinc/30/07/83/384300783.db2.gz PTIFAKMIECSZRK-AWEZNQCLSA-N 0 3 279.384 2.547 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc2ccccc2c1 ZINC000641769040 384335131 /nfs/dbraw/zinc/33/51/31/384335131.db2.gz OLFIQHVOXFIHSF-KRWDZBQOSA-N 0 3 253.345 2.704 20 30 CFEDHN N#Cc1c(NC[C@@H]2CCCCN2C2CC2)nc2ccccn12 ZINC000277555849 384336201 /nfs/dbraw/zinc/33/62/01/384336201.db2.gz YDDKGRRSWXQTJX-AWEZNQCLSA-N 0 3 295.390 2.635 20 30 CFEDHN C=CCC[C@H](CO)NCc1c(F)cccc1N1CCCC1 ZINC000641759804 384326288 /nfs/dbraw/zinc/32/62/88/384326288.db2.gz JKGFLHOKIFUKQX-CQSZACIVSA-N 0 3 292.398 2.843 20 30 CFEDHN C=CCC[C@@H](CO)NCc1c(F)cccc1N1CCCC1 ZINC000641759802 384327268 /nfs/dbraw/zinc/32/72/68/384327268.db2.gz JKGFLHOKIFUKQX-AWEZNQCLSA-N 0 3 292.398 2.843 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000641767390 384333510 /nfs/dbraw/zinc/33/35/10/384333510.db2.gz JYFZBEGQRYQNAE-ZDUSSCGKSA-N 0 3 289.272 2.708 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(Cl)c2cccnc12 ZINC000641767445 384333546 /nfs/dbraw/zinc/33/35/46/384333546.db2.gz LBQZOOCNSOTEEQ-CYBMUJFWSA-N 0 3 288.778 2.752 20 30 CFEDHN C#CCOc1ccc(CNC2CC(F)(F)C2)cc1 ZINC000277768109 384399573 /nfs/dbraw/zinc/39/95/73/384399573.db2.gz XWMWHXZPENPRKC-UHFFFAOYSA-N 0 3 251.276 2.586 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2cc(C)[nH]c2C)n1 ZINC000642281983 384420001 /nfs/dbraw/zinc/42/00/01/384420001.db2.gz ZHXCNIQXWQXMLK-NSHDSACASA-N 0 3 259.334 2.887 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1ccccc1 ZINC000267393285 384379032 /nfs/dbraw/zinc/37/90/32/384379032.db2.gz NYNIAVPFLKIRJT-INIZCTEOSA-N 0 3 266.348 2.668 20 30 CFEDHN N#Cc1cccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277701030 384380160 /nfs/dbraw/zinc/38/01/60/384380160.db2.gz WGVRYIPRKDHCNC-INIZCTEOSA-N 0 3 298.390 2.697 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000278183279 384493979 /nfs/dbraw/zinc/49/39/79/384493979.db2.gz DARLOZZNJQSHGQ-HZPDHXFCSA-N 0 3 288.391 2.668 20 30 CFEDHN C#CCOc1ccccc1CNCC[C@@H](O)c1ccccc1 ZINC000289373440 197317208 /nfs/dbraw/zinc/31/72/08/197317208.db2.gz BLNOYALAWQLUNV-GOSISDBHSA-N 0 3 295.382 2.912 20 30 CFEDHN C=C(C)[C@H](CO)N(CC)CCOc1ccccc1C ZINC000643254771 384530591 /nfs/dbraw/zinc/53/05/91/384530591.db2.gz ODPKRGQMLRPSLY-HNNXBMFYSA-N 0 3 263.381 2.633 20 30 CFEDHN C=CCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278363465 384542851 /nfs/dbraw/zinc/54/28/51/384542851.db2.gz FNMOTYXKWHUAKP-LBPRGKRZSA-N 0 3 250.317 2.640 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000268227020 384571601 /nfs/dbraw/zinc/57/16/01/384571601.db2.gz XOPSUQQJNOXKLH-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN CN(C)CCN(Cc1ccc(F)cc1)c1ccc(C#N)cn1 ZINC000268359758 384613774 /nfs/dbraw/zinc/61/37/74/384613774.db2.gz WIXRSBOKZCPMSO-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN CC(C)(C#N)CCCN1CCc2ccccc2[C@@H]1CO ZINC000268506078 384627430 /nfs/dbraw/zinc/62/74/30/384627430.db2.gz URHMEIGCVLSLGR-INIZCTEOSA-N 0 3 272.392 2.908 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C=C(CC)CC)CC1 ZINC000268297106 384592571 /nfs/dbraw/zinc/59/25/71/384592571.db2.gz WUGZGNSMVPKFSJ-UHFFFAOYSA-N 0 3 264.413 2.890 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC(C)(C)C#N ZINC000278686331 384592729 /nfs/dbraw/zinc/59/27/29/384592729.db2.gz DTFKWMPPTHHZJK-GOEBONIOSA-N 0 3 299.418 2.563 20 30 CFEDHN CN(C)CCN(Cc1ccccc1F)c1ccc(C#N)cn1 ZINC000268294488 384593036 /nfs/dbraw/zinc/59/30/36/384593036.db2.gz FMMWUFXKHWDEEX-UHFFFAOYSA-N 0 3 298.365 2.661 20 30 CFEDHN CN(C)CCN(Cc1cccs1)c1ncccc1C#N ZINC000268300333 384594451 /nfs/dbraw/zinc/59/44/51/384594451.db2.gz GVPHPEDWCLGGKC-UHFFFAOYSA-N 0 3 286.404 2.583 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000638472738 384683845 /nfs/dbraw/zinc/68/38/45/384683845.db2.gz VZOZJEGCHIJPSJ-DZGCQCFKSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CCC[C@@H](C)NCc1ncnn1-c1ccccc1 ZINC000279579920 384684471 /nfs/dbraw/zinc/68/44/71/384684471.db2.gz UIXMXVYNHAZKMQ-CYBMUJFWSA-N 0 3 256.353 2.712 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000279707000 384729160 /nfs/dbraw/zinc/72/91/60/384729160.db2.gz HQTKZZFHTSSWLN-HOCLYGCPSA-N 0 3 288.391 2.562 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@@H]1C[C@@H](C)O ZINC000279718143 384735848 /nfs/dbraw/zinc/73/58/48/384735848.db2.gz IQMCVVHTVVXSAD-CZUORRHYSA-N 0 3 288.391 2.692 20 30 CFEDHN C=CCC[C@@H](NC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000269491029 384765316 /nfs/dbraw/zinc/76/53/16/384765316.db2.gz SGEUADYQYVWBKS-MRXNPFEDSA-N 0 3 289.423 2.897 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cscc2C)CC1 ZINC000269583198 384795732 /nfs/dbraw/zinc/79/57/32/384795732.db2.gz CAVLSYMPKSKHTB-UHFFFAOYSA-N 0 3 279.409 2.828 20 30 CFEDHN C=CCCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000279898635 384804966 /nfs/dbraw/zinc/80/49/66/384804966.db2.gz VBUIOXWCOZJYFB-HNNXBMFYSA-N 0 3 258.365 2.562 20 30 CFEDHN C=CCN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269628835 384811847 /nfs/dbraw/zinc/81/18/47/384811847.db2.gz KPVVQKZUOCLRMO-UHFFFAOYSA-N 0 3 297.305 2.935 20 30 CFEDHN C[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000269850532 384881976 /nfs/dbraw/zinc/88/19/76/384881976.db2.gz XNWVXRZZSXMKDX-GJZGRUSLSA-N 0 3 299.418 2.542 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000269704283 384844079 /nfs/dbraw/zinc/84/40/79/384844079.db2.gz NAWBBTNYHGOVBP-CVEARBPZSA-N 0 3 288.391 2.692 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC000270034272 384950914 /nfs/dbraw/zinc/95/09/14/384950914.db2.gz BJMMRNKYYJTUBV-CVEARBPZSA-N 0 3 270.376 2.996 20 30 CFEDHN CC(C)CC[C@H](O)CN(C)Cc1ccc(C#N)cc1 ZINC000280177448 384917141 /nfs/dbraw/zinc/91/71/41/384917141.db2.gz CAPGBHKCIXQYKG-INIZCTEOSA-N 0 3 260.381 2.787 20 30 CFEDHN COc1cccc([C@@H](CNc2cnccc2C#N)N(C)C)c1 ZINC000269987054 384931062 /nfs/dbraw/zinc/93/10/62/384931062.db2.gz SRZPDLVAOULRPQ-QGZVFWFLSA-N 0 3 296.374 2.677 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCOc2ccc(CN)cc21 ZINC000638804658 384935979 /nfs/dbraw/zinc/93/59/79/384935979.db2.gz ALFUTKMMQFOOFV-UHFFFAOYSA-N 0 3 286.375 2.639 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CNCC=C(C)C ZINC000644631179 384969145 /nfs/dbraw/zinc/96/91/45/384969145.db2.gz IYZSTEPOGUFKCQ-INIZCTEOSA-N 0 3 275.392 2.711 20 30 CFEDHN C[C@H](CO)N(Cc1ccccc1C#N)CC1CCC1 ZINC000280315128 384972438 /nfs/dbraw/zinc/97/24/38/384972438.db2.gz GRDLBMBXQBSMGM-CYBMUJFWSA-N 0 3 258.365 2.541 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)CC(F)(F)F)cc1 ZINC000644644900 384973891 /nfs/dbraw/zinc/97/38/91/384973891.db2.gz XQSHICAOTIYOKU-LBPRGKRZSA-N 0 3 289.297 2.654 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638867075 384999937 /nfs/dbraw/zinc/99/99/37/384999937.db2.gz ZMCFTABQGOFWAC-UHFFFAOYSA-N 0 3 264.413 2.757 20 30 CFEDHN C=CCCOCCNCc1ccc(N(C)CCC#N)cc1 ZINC000270168175 385000637 /nfs/dbraw/zinc/00/06/37/385000637.db2.gz HCZSWVQKVPQXHK-UHFFFAOYSA-N 0 3 287.407 2.719 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C2CC2)CC1 ZINC000644719720 385018662 /nfs/dbraw/zinc/01/86/62/385018662.db2.gz CXFDLTAAALALOB-CQSZACIVSA-N 0 3 276.424 2.698 20 30 CFEDHN COC(=O)CC1(NCC#Cc2ccc(F)cc2)CCCC1 ZINC000280443691 385019307 /nfs/dbraw/zinc/01/93/07/385019307.db2.gz NESSMCBXORFXMT-UHFFFAOYSA-N 0 3 289.350 2.643 20 30 CFEDHN CN1CC[C@@H](Nc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000270284697 385042227 /nfs/dbraw/zinc/04/22/27/385042227.db2.gz MYEGORISFKNCMK-WBVHZDCISA-N 0 3 278.359 2.811 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(CC#N)cc1 ZINC000270469730 385115216 /nfs/dbraw/zinc/11/52/16/385115216.db2.gz YRRDLNZDMUCATB-QGZVFWFLSA-N 0 3 299.418 2.747 20 30 CFEDHN C=C(C)[C@@H](N[C@@H]1CCCNC(=O)C1)c1ccc(F)c(F)c1 ZINC000639058957 385139452 /nfs/dbraw/zinc/13/94/52/385139452.db2.gz WDZAXIURHPTULA-MLGOLLRUSA-N 0 3 294.345 2.840 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(C)n1 ZINC000280666961 385107764 /nfs/dbraw/zinc/10/77/64/385107764.db2.gz PNSAOFUEFJCUHR-AAEUAGOBSA-N 0 3 252.383 2.522 20 30 CFEDHN C=CCN(CCOC)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000639101103 385192069 /nfs/dbraw/zinc/19/20/69/385192069.db2.gz WETYZZAANFYUJS-OAHLLOKOSA-N 0 3 291.391 2.826 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(CO)(c2ccccc2)CC1 ZINC000645011173 385163074 /nfs/dbraw/zinc/16/30/74/385163074.db2.gz MDOBOSZFIPVAKL-MRXNPFEDSA-N 0 3 271.404 2.814 20 30 CFEDHN CC(C#N)C(=O)N(CCc1ccc(F)cc1)C1CC1 ZINC000346908467 533107644 /nfs/dbraw/zinc/10/76/44/533107644.db2.gz KRBFBMZRHXPHHF-NSHDSACASA-N 0 3 260.312 2.519 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000270769586 385220163 /nfs/dbraw/zinc/22/01/63/385220163.db2.gz HJAVAAPLVSCEHS-ROUUACIJSA-N 0 3 278.355 2.648 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000270769585 385220530 /nfs/dbraw/zinc/22/05/30/385220530.db2.gz HJAVAAPLVSCEHS-QZTJIDSGSA-N 0 3 278.355 2.648 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1 ZINC000282150646 385228529 /nfs/dbraw/zinc/22/85/29/385228529.db2.gz CSIHWCNJIMVWHF-PBHICJAKSA-N 0 3 273.376 2.698 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@]2(C)C[C@@H]2c2ccccc2)C1=O ZINC000639132081 385232740 /nfs/dbraw/zinc/23/27/40/385232740.db2.gz DRDUJWPKCFNAQH-ZIFCJYIRSA-N 0 3 298.430 2.899 20 30 CFEDHN COc1cc(CN2CCC(C)(OC)CC2)ccc1C#N ZINC000282198498 385244410 /nfs/dbraw/zinc/24/44/10/385244410.db2.gz GQFJHXPBTRDKEW-UHFFFAOYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=C(C)CN(CCC[C@@H]1CCO1)Cc1ccc(CO)o1 ZINC000639163810 385268034 /nfs/dbraw/zinc/26/80/34/385268034.db2.gz ZKHHFQZWSCANNH-CQSZACIVSA-N 0 3 279.380 2.719 20 30 CFEDHN COc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)ccc1C#N ZINC000282294955 385275192 /nfs/dbraw/zinc/27/51/92/385275192.db2.gz LYZREYYJJQYXQF-HNNXBMFYSA-N 0 3 296.374 2.670 20 30 CFEDHN C=C(CC)CNCc1ccccc1OCCCCO ZINC000639240466 385370975 /nfs/dbraw/zinc/37/09/75/385370975.db2.gz YGQHZCGVMDPJSQ-UHFFFAOYSA-N 0 3 263.381 2.894 20 30 CFEDHN C=CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C1CC1 ZINC000271360960 385380559 /nfs/dbraw/zinc/38/05/59/385380559.db2.gz HHEMDMFZXZOHPM-SJORKVTESA-N 0 3 299.418 2.792 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc2ccccc2c1 ZINC000347032782 533113877 /nfs/dbraw/zinc/11/38/77/533113877.db2.gz GTYIQRZSORCOJW-LBPRGKRZSA-N 0 3 252.317 2.658 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000336052167 533118031 /nfs/dbraw/zinc/11/80/31/533118031.db2.gz HFEXUEHABXDFCW-RYUDHWBXSA-N 0 3 291.782 2.585 20 30 CFEDHN CC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271941443 385406706 /nfs/dbraw/zinc/40/67/06/385406706.db2.gz MDTBZYZRHIRMBD-QMTHXVAHSA-N 0 3 250.317 2.509 20 30 CFEDHN CC[C@](C)(O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271941445 385407086 /nfs/dbraw/zinc/40/70/86/385407086.db2.gz MDTBZYZRHIRMBD-YGRLFVJLSA-N 0 3 250.317 2.509 20 30 CFEDHN CC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271941440 385407239 /nfs/dbraw/zinc/40/72/39/385407239.db2.gz MDTBZYZRHIRMBD-IINYFYTJSA-N 0 3 250.317 2.509 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963241 385412413 /nfs/dbraw/zinc/41/24/13/385412413.db2.gz RTDQSEYYCCTRSP-HUBLWGQQSA-N 0 3 287.382 2.973 20 30 CFEDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271969393 385414734 /nfs/dbraw/zinc/41/47/34/385414734.db2.gz UFICATVVHWAHGY-BFKGZMGPSA-N 0 3 282.384 2.505 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000272007830 385423664 /nfs/dbraw/zinc/42/36/64/385423664.db2.gz JLSOPDYRMLIEJM-XJKSGUPXSA-N 0 3 272.392 2.726 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1C)C1CC1 ZINC000272007828 385423686 /nfs/dbraw/zinc/42/36/86/385423686.db2.gz JLSOPDYRMLIEJM-CZUORRHYSA-N 0 3 272.392 2.726 20 30 CFEDHN C=CCN(CCCC(=O)OCC)CCc1ccco1 ZINC000272306398 385505717 /nfs/dbraw/zinc/50/57/17/385505717.db2.gz QSOPNLUEQSIQBH-UHFFFAOYSA-N 0 3 265.353 2.653 20 30 CFEDHN CC1(C)CC[C@H]1N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000284065520 385531277 /nfs/dbraw/zinc/53/12/77/385531277.db2.gz AMSSIXOXICYJSG-JKSUJKDBSA-N 0 3 297.402 2.832 20 30 CFEDHN C=CCCOCCN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284171570 385544098 /nfs/dbraw/zinc/54/40/98/385544098.db2.gz FJFMULBHOQVFMZ-LLVKDONJSA-N 0 3 284.787 2.987 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H](C)CN2CCC[C@@H](C)C2)n1 ZINC000286230925 385575112 /nfs/dbraw/zinc/57/51/12/385575112.db2.gz HMTMKCYBAUTBIH-OCCSQVGLSA-N 0 3 272.396 2.794 20 30 CFEDHN C=CCC[C@@H](NC[C@@H](C)CN1CCOCC1)c1ccco1 ZINC000286239711 385576003 /nfs/dbraw/zinc/57/60/03/385576003.db2.gz TWUJNDBHTWFFAH-HZPDHXFCSA-N 0 3 292.423 2.845 20 30 CFEDHN C=CCCCCCN(C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639496650 385560278 /nfs/dbraw/zinc/56/02/78/385560278.db2.gz VQEXCGIGOZDOCR-OAHLLOKOSA-N 0 3 264.413 2.818 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1cccc(C)c1 ZINC000286109459 385560478 /nfs/dbraw/zinc/56/04/78/385560478.db2.gz MZPLMRKQQRBWKQ-OAHLLOKOSA-N 0 3 281.421 2.637 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCSCC[C@H]1C ZINC000286137265 385563032 /nfs/dbraw/zinc/56/30/32/385563032.db2.gz MZCXLMTWNLCNAI-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN C=CCC[C@@H](N[C@H](C)CN1CCCC1=O)c1ccco1 ZINC000286363303 385598900 /nfs/dbraw/zinc/59/89/00/385598900.db2.gz ZHNUTJBBIWPGFA-ZIAGYGMSSA-N 0 3 276.380 2.887 20 30 CFEDHN CN(C)[C@@H](CNc1ccnc(C#N)c1)c1ccsc1 ZINC000286312729 385587759 /nfs/dbraw/zinc/58/77/59/385587759.db2.gz ZEZPJFWTMYJSBU-AWEZNQCLSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1C[C@H](C)c2c1cccc2C ZINC000272898617 385646100 /nfs/dbraw/zinc/64/61/00/385646100.db2.gz URZFXFKZISODPK-ZFWWWQNUSA-N 0 3 293.432 2.734 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](c1ccc(C)cc1)C1CC1 ZINC000272895406 385646200 /nfs/dbraw/zinc/64/62/00/385646200.db2.gz UFOBMQADUIORIF-MRXNPFEDSA-N 0 3 293.432 2.637 20 30 CFEDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)C1=CCN(C)CC1 ZINC000272916197 385652158 /nfs/dbraw/zinc/65/21/58/385652158.db2.gz JZEOAXBGTVRDAQ-LLVKDONJSA-N 0 3 286.335 2.529 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@@H]3[C@H](CCCN3C)C2)c1 ZINC000273328848 385677398 /nfs/dbraw/zinc/67/73/98/385677398.db2.gz QROAJJNUYKHWJF-IAGOWNOFSA-N 0 3 297.402 2.681 20 30 CFEDHN CCN1CC[C@H](N(C)c2nc(Cl)c(C#N)s2)[C@H](C)C1 ZINC000287122572 385786044 /nfs/dbraw/zinc/78/60/44/385786044.db2.gz CUJREXHWTXHSKF-ZJUUUORDSA-N 0 3 298.843 2.835 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](CCO)c1ccc(Cl)cc1 ZINC000286936449 385744809 /nfs/dbraw/zinc/74/48/09/385744809.db2.gz LNNZGNPSYDBYFI-LSDHHAIUSA-N 0 3 283.799 2.680 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)C1CCC(F)(F)CC1 ZINC000287031479 385766294 /nfs/dbraw/zinc/76/62/94/385766294.db2.gz SEZDCTUFHCKCEB-UHFFFAOYSA-N 0 3 286.366 2.697 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(OC)c(OC)c1C ZINC000287038735 385767525 /nfs/dbraw/zinc/76/75/25/385767525.db2.gz STUZAKOBYQDRAE-ZIAGYGMSSA-N 0 3 293.407 2.990 20 30 CFEDHN N#Cc1ccc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)c1 ZINC000274330708 385769119 /nfs/dbraw/zinc/76/91/19/385769119.db2.gz MQOIIUHZOSJKOP-UHFFFAOYSA-N 0 3 286.335 2.505 20 30 CFEDHN C=CCCCCNCc1nccn1CC(F)(F)F ZINC000274627281 385836332 /nfs/dbraw/zinc/83/63/32/385836332.db2.gz YEOXTXSLGBRPBI-UHFFFAOYSA-N 0 3 261.291 2.891 20 30 CFEDHN CN(C)[C@H](CNc1ccnc(C#N)c1)c1cccc(F)c1 ZINC000287173411 385795570 /nfs/dbraw/zinc/79/55/70/385795570.db2.gz ZBHCPDWIVGWEKZ-MRXNPFEDSA-N 0 3 284.338 2.807 20 30 CFEDHN C=C(C)CCN1CCCN(c2nc(CC)ns2)CC1 ZINC000274753874 385863729 /nfs/dbraw/zinc/86/37/29/385863729.db2.gz BRZNPMPJOVMNAB-UHFFFAOYSA-N 0 3 280.441 2.579 20 30 CFEDHN C=C(C)CCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000274754862 385864378 /nfs/dbraw/zinc/86/43/78/385864378.db2.gz BXXDXYJNMOLVTC-OAHLLOKOSA-N 0 3 259.397 2.726 20 30 CFEDHN CCC(CC)N(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000288572154 197116102 /nfs/dbraw/zinc/11/61/02/197116102.db2.gz ATRKKPNRKJYQGO-UHFFFAOYSA-N 0 3 287.407 2.685 20 30 CFEDHN C=C(C)CCN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000274814564 385877316 /nfs/dbraw/zinc/87/73/16/385877316.db2.gz IQSJIIRAHJZSGA-NSHDSACASA-N 0 3 285.384 2.846 20 30 CFEDHN C=CC[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000275157582 385946990 /nfs/dbraw/zinc/94/69/90/385946990.db2.gz 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Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC000268519427 132020953 /nfs/dbraw/zinc/02/09/53/132020953.db2.gz WHPOGMIWASWQAB-CQSZACIVSA-N 0 3 299.353 2.504 20 30 CFEDHN COc1cccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000268637158 132039515 /nfs/dbraw/zinc/03/95/15/132039515.db2.gz RJOGLPSAXFGFFF-GOSISDBHSA-N 0 3 296.370 2.732 20 30 CFEDHN C=CCC[C@@H](CC)NCc1ccc(C(=O)OC)o1 ZINC000268863668 132078703 /nfs/dbraw/zinc/07/87/03/132078703.db2.gz GRLWBAOECMTPOU-LLVKDONJSA-N 0 3 251.326 2.901 20 30 CFEDHN COCC#CCN1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000683799520 542726132 /nfs/dbraw/zinc/72/61/32/542726132.db2.gz CDFKKQUMARYPIK-DOTOQJQBSA-N 0 3 257.377 2.823 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000269422072 132167938 /nfs/dbraw/zinc/16/79/38/132167938.db2.gz LZUWECVRIOEYSD-AWEZNQCLSA-N 0 3 274.339 2.889 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)cc1F)N1CCC[C@H](C)C1 ZINC000269440565 132171177 /nfs/dbraw/zinc/17/11/77/132171177.db2.gz SKDNEEGIWODIBO-UONOGXRCSA-N 0 3 289.398 2.907 20 30 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C[C@H]1C[C@@H](NC2CCC(C)(C#N)CC2)c2nccn21 ZINC000333552376 393568516 /nfs/dbraw/zinc/56/85/16/393568516.db2.gz MUCXWDBIDHWEHI-OYNVLQORSA-N 0 3 258.369 2.951 20 30 CFEDHN C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[C@H]1O ZINC000334542025 393606371 /nfs/dbraw/zinc/60/63/71/393606371.db2.gz SRJSJEZHELTIJW-ZIAGYGMSSA-N 0 3 250.386 2.553 20 30 CFEDHN CC(=O)N1CCN([C@H]2CC[C@H](C#N)C2)CC12CCCCC2 ZINC000334282302 393588977 /nfs/dbraw/zinc/58/89/77/393588977.db2.gz YDJSROKSVXIKET-HOTGVXAUSA-N 0 3 289.423 2.546 20 30 CFEDHN C#CCCCC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000191885795 393610072 /nfs/dbraw/zinc/61/00/72/393610072.db2.gz TYXKDBBBORNILN-QGZVFWFLSA-N 0 3 286.419 2.771 20 30 CFEDHN CN(C)CCN(C(=O)c1cscc1C#N)C1CCCC1 ZINC000410556076 393630317 /nfs/dbraw/zinc/63/03/17/393630317.db2.gz ITUANIRPSNFQHU-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000335084079 393640070 /nfs/dbraw/zinc/64/00/70/393640070.db2.gz LIRGQESUPRPPDG-CYBMUJFWSA-N 0 3 264.413 2.531 20 30 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30 CFEDHN CC(C#N)C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000335741136 393696719 /nfs/dbraw/zinc/69/67/19/393696719.db2.gz FPBJKSXTEHWHSP-GFCCVEGCSA-N 0 3 280.327 2.991 20 30 CFEDHN CC(C#N)C(=O)N1CC=C(c2c(F)cccc2F)CC1 ZINC000335751118 393697050 /nfs/dbraw/zinc/69/70/50/393697050.db2.gz AWTKKIMXOWFCLA-SNVBAGLBSA-N 0 3 276.286 2.740 20 30 CFEDHN CC(C)(C#N)CCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411924737 393758884 /nfs/dbraw/zinc/75/88/84/393758884.db2.gz MNXDVTJEBCFTPQ-GJZGRUSLSA-N 0 3 258.365 2.734 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000411979619 393759785 /nfs/dbraw/zinc/75/97/85/393759785.db2.gz DVOPJHFZLZIQIY-HOTGVXAUSA-N 0 3 271.408 2.885 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC(C)(C)C[C@H]1C ZINC000412018364 393759863 /nfs/dbraw/zinc/75/98/63/393759863.db2.gz BGIOBWNJEYGWNA-IOASZLSFSA-N 0 3 279.428 2.550 20 30 CFEDHN CC1(C)[C@H](O)CCN1CC#Cc1ccc(Cl)cc1 ZINC000336031188 393715508 /nfs/dbraw/zinc/71/55/08/393715508.db2.gz DEXJGLJJVWIOIX-CQSZACIVSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CCN1CCC(NC(=O)CC2CC(C)(C)C2)CC1 ZINC000339998019 393834764 /nfs/dbraw/zinc/83/47/64/393834764.db2.gz CZKJHXJZHKCSDS-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)N1[C@H](C)CC[C@@H]1C ZINC000412295323 393766312 /nfs/dbraw/zinc/76/63/12/393766312.db2.gz UKUTYUKGVZNYFL-XGUBFFRZSA-N 0 3 291.439 2.788 20 30 CFEDHN CC(C#N)C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000338202460 393776874 /nfs/dbraw/zinc/77/68/74/393776874.db2.gz CTGFEPLNUZNOSG-IKMFHRHGSA-N 0 3 260.381 2.821 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCCC(F)(F)C2)C1=O ZINC000338342032 393781584 /nfs/dbraw/zinc/78/15/84/393781584.db2.gz FCZIKWWCECYNJG-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)N(C)C ZINC000413991686 393793420 /nfs/dbraw/zinc/79/34/20/393793420.db2.gz WJKZQQGYGGJLSM-DLBZAZTESA-N 0 3 288.435 2.876 20 30 CFEDHN N#Cc1csc(CNCCOC2CCCC2)c1 ZINC000093492551 393800368 /nfs/dbraw/zinc/80/03/68/393800368.db2.gz JRPJFYFHYHFADQ-UHFFFAOYSA-N 0 3 250.367 2.669 20 30 CFEDHN C=CCOCCN1CC=C(c2ccc(O)cc2)CC1 ZINC000338889870 393803993 /nfs/dbraw/zinc/80/39/93/393803993.db2.gz JFCQQOASVXPELE-UHFFFAOYSA-N 0 3 259.349 2.684 20 30 CFEDHN C=CCOCCN(CCOC)[C@@H](C)c1ccccc1 ZINC000338937132 393805722 /nfs/dbraw/zinc/80/57/22/393805722.db2.gz CKJDMGFZSOASRD-HNNXBMFYSA-N 0 3 263.381 2.899 20 30 CFEDHN C[C@]1(c2ccccc2)CCN(CCOCCC#N)C1 ZINC000339013259 393810151 /nfs/dbraw/zinc/81/01/51/393810151.db2.gz ISNHHOWBWLHMSF-INIZCTEOSA-N 0 3 258.365 2.580 20 30 CFEDHN N#CCCOCCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000339013305 393810403 /nfs/dbraw/zinc/81/04/03/393810403.db2.gz KLSLGVQFSCPHRE-CQSZACIVSA-N 0 3 262.328 2.545 20 30 CFEDHN C=CCOCCN(CCC(F)(F)F)CC1CC1 ZINC000339017872 393811443 /nfs/dbraw/zinc/81/14/43/393811443.db2.gz RTWYOIOLYADOHT-UHFFFAOYSA-N 0 3 251.292 2.853 20 30 CFEDHN CCOc1ccc([C@H](C)NCCOCCC#N)cc1OC ZINC000339068788 393815149 /nfs/dbraw/zinc/81/51/49/393815149.db2.gz QDJFTZCNARHFSC-ZDUSSCGKSA-N 0 3 292.379 2.675 20 30 CFEDHN C[C@H](NCCOCCC#N)c1cnn(Cc2ccccc2)c1 ZINC000339085534 393816208 /nfs/dbraw/zinc/81/62/08/393816208.db2.gz PBTIVPISFIEJMH-HNNXBMFYSA-N 0 3 298.390 2.512 20 30 CFEDHN CCCCCN(CC(=O)N(CC)C[C@H](C)C#N)C(C)C ZINC000339090596 393818399 /nfs/dbraw/zinc/81/83/99/393818399.db2.gz HEIZFLBCVMKSRW-OAHLLOKOSA-N 0 3 281.444 2.895 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000245942868 393838905 /nfs/dbraw/zinc/83/89/05/393838905.db2.gz NACACVOWQLVDFP-UKRRQHHQSA-N 0 3 299.418 2.717 20 30 CFEDHN CC#CCN(C)Cc1ccccc1CN(C)CC#CC ZINC000339766618 393833014 /nfs/dbraw/zinc/83/30/14/393833014.db2.gz SKXPDHOAHKFADR-UHFFFAOYSA-N 0 3 268.404 2.597 20 30 CFEDHN CC1(C)CCC[C@@H]1N(CC(=O)NCC#N)Cc1ccccc1 ZINC000426797942 393890111 /nfs/dbraw/zinc/89/01/11/393890111.db2.gz COKUYDXMFUMHRS-INIZCTEOSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CC[C@H](C(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000426831618 393890260 /nfs/dbraw/zinc/89/02/60/393890260.db2.gz FQWOBYSJXNYKII-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344697596 393902048 /nfs/dbraw/zinc/90/20/48/393902048.db2.gz LNOOYJVLQQGFQM-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H]1c1ccc(C)s1 ZINC000114732332 393902692 /nfs/dbraw/zinc/90/26/92/393902692.db2.gz HIJITAUWUMZVNQ-STQMWFEESA-N 0 3 278.421 2.884 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NCc1cc(C#N)cs1 ZINC000246159522 393851279 /nfs/dbraw/zinc/85/12/79/393851279.db2.gz ICBSEEMAHSOGIO-OLZOCXBDSA-N 0 3 277.437 2.830 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn2cccc(F)c2n1 ZINC000684767644 542851012 /nfs/dbraw/zinc/85/10/12/542851012.db2.gz OEJMWLHVGWLVAO-DOMZBBRYSA-N 0 3 289.354 2.544 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000346305846 393926034 /nfs/dbraw/zinc/92/60/34/393926034.db2.gz HHDHIQCBLYJVHX-MRXNPFEDSA-N 0 3 289.423 2.902 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000120100495 393930576 /nfs/dbraw/zinc/93/05/76/393930576.db2.gz OSXAGYKRAPJUJP-KRWDZBQOSA-N 0 3 269.392 2.811 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000416676785 393939260 /nfs/dbraw/zinc/93/92/60/393939260.db2.gz DADRCFJOKCBVHD-GJZGRUSLSA-N 0 3 293.455 2.761 20 30 CFEDHN CCC(CC)(CNCC#Cc1ccc(F)cc1)C(=O)OC ZINC000120906010 393943424 /nfs/dbraw/zinc/94/34/24/393943424.db2.gz UDEIBXVVAIOYTB-UHFFFAOYSA-N 0 3 291.366 2.746 20 30 CFEDHN C=CCOCCCN(CC(=O)N1CCCCCC1)C(C)C ZINC000353240369 394027381 /nfs/dbraw/zinc/02/73/81/394027381.db2.gz XHHPCDQVUGAKQK-UHFFFAOYSA-N 0 3 296.455 2.692 20 30 CFEDHN CC[C@H](C)N[C@@H](CNc1ccc(C#N)c(C)n1)c1ccco1 ZINC000487716734 394020451 /nfs/dbraw/zinc/02/04/51/394020451.db2.gz GIFDYHJQMUQPRJ-WFASDCNBSA-N 0 3 298.390 2.818 20 30 CFEDHN C=C(C)COc1cc(CN(CC)C[C@@H](C)O)ccc1OC ZINC000348718892 393957499 /nfs/dbraw/zinc/95/74/99/393957499.db2.gz YKJVKBXUFCQCMK-CQSZACIVSA-N 0 3 293.407 2.853 20 30 CFEDHN C=CCc1cc(CN(C)[C@H]2CCCOC2)cc(OC)c1O ZINC000348737418 393957752 /nfs/dbraw/zinc/95/77/52/393957752.db2.gz CLSBXLXFZACJQM-HNNXBMFYSA-N 0 3 291.391 2.740 20 30 CFEDHN CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000271727571 394022765 /nfs/dbraw/zinc/02/27/65/394022765.db2.gz XYGOAJRIQJGYDS-WBVHZDCISA-N 0 3 285.391 2.536 20 30 CFEDHN C[C@@H]1C[C@H]1N1CCN(Cc2ccc(C#N)s2)C[C@@H](C)C1 ZINC000430145662 393961732 /nfs/dbraw/zinc/96/17/32/393961732.db2.gz GSFLIDMBYVZVGM-XJKCOSOUSA-N 0 3 289.448 2.782 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](c2nccn2C)C1 ZINC000349199039 393965161 /nfs/dbraw/zinc/96/51/61/393965161.db2.gz XNXJPTOMXGGJTG-INIZCTEOSA-N 0 3 297.402 2.974 20 30 CFEDHN CC[C@H](C#N)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000122202460 393966184 /nfs/dbraw/zinc/96/61/84/393966184.db2.gz RFXTYPTYXIILFC-OAHLLOKOSA-N 0 3 286.423 2.851 20 30 CFEDHN COC[C@H](Cc1ccccc1)N[C@@H]1CC[C@H](C#N)C1 ZINC000349338727 393968259 /nfs/dbraw/zinc/96/82/59/393968259.db2.gz AEMMYAQNZJVACB-XHSDSOJGSA-N 0 3 258.365 2.526 20 30 CFEDHN COc1ccc(CN2CC(C)=C[C@@H](C)C2)cc1C#N ZINC000430267056 393975761 /nfs/dbraw/zinc/97/57/61/393975761.db2.gz ZSERWVISLIYIGM-GFCCVEGCSA-N 0 3 256.349 2.965 20 30 CFEDHN CC(C)N1CC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 ZINC000266253870 393980866 /nfs/dbraw/zinc/98/08/66/393980866.db2.gz WUXPVVYNWRXUJJ-SNVBAGLBSA-N 0 3 264.760 2.501 20 30 CFEDHN COCCN(CCCCC#N)Cc1ccc(C)o1 ZINC000125420429 394007026 /nfs/dbraw/zinc/00/70/26/394007026.db2.gz PUNHBKAVCXLOLA-UHFFFAOYSA-N 0 3 250.342 2.730 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000281952811 394100310 /nfs/dbraw/zinc/10/03/10/394100310.db2.gz SHLIGNAEKIMYQU-NEPJUHHUSA-N 0 3 278.421 2.750 20 30 CFEDHN C#CCN1CCC(C(=O)NCC(C)(C)C(C)(C)C)CC1 ZINC000491396722 394049250 /nfs/dbraw/zinc/04/92/50/394049250.db2.gz ZKTJHIIUGHPZQE-UHFFFAOYSA-N 0 3 278.440 2.520 20 30 CFEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC(C)C ZINC000127464916 394051223 /nfs/dbraw/zinc/05/12/23/394051223.db2.gz BMPCIOOUNRVJQL-UHFFFAOYSA-N 0 3 277.368 2.685 20 30 CFEDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)c(C)c2)C1 ZINC000437345330 394053872 /nfs/dbraw/zinc/05/38/72/394053872.db2.gz VQMHNNKXMNIECO-ZBFHGGJFSA-N 0 3 286.375 2.688 20 30 CFEDHN C[C@H]1COCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000277547094 394057127 /nfs/dbraw/zinc/05/71/27/394057127.db2.gz SMRSRKJMISIHAW-SWLSCSKDSA-N 0 3 263.768 2.706 20 30 CFEDHN CC(C)C[C@@H](CNC(=O)/C=C\c1ccc(C#N)cc1)N(C)C ZINC000491892647 394060535 /nfs/dbraw/zinc/06/05/35/394060535.db2.gz GMGLMGLYIYAEJQ-IBSYWUHOSA-N 0 3 299.418 2.664 20 30 CFEDHN CN(C)C/C=C\C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000492855507 394082404 /nfs/dbraw/zinc/08/24/04/394082404.db2.gz TZZTVNAGPHRECN-IYCSXQJISA-N 0 3 285.391 2.656 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCCCC#N)C1 ZINC000492882026 394087956 /nfs/dbraw/zinc/08/79/56/394087956.db2.gz IOPVRWWSWSVLKW-CYBMUJFWSA-N 0 3 281.400 2.621 20 30 CFEDHN C[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000129733655 394093344 /nfs/dbraw/zinc/09/33/44/394093344.db2.gz GRUXVKWDYAGGDN-YJBOKZPZSA-N 0 3 297.377 2.957 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](CCC)c2ccccc2)C1=O ZINC000281934147 394097683 /nfs/dbraw/zinc/09/76/83/394097683.db2.gz IGDKISRUJGWVQW-HZPDHXFCSA-N 0 3 272.392 2.904 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2cccc(C)c2)C1=O ZINC000281990105 394106338 /nfs/dbraw/zinc/10/63/38/394106338.db2.gz MTXUHUOXBWGHNV-DLBZAZTESA-N 0 3 284.403 2.919 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N(C)CCCN2CCCC2)c1 ZINC000282041160 394114736 /nfs/dbraw/zinc/11/47/36/394114736.db2.gz YWAHMRFHIRHQJA-UHFFFAOYSA-N 0 3 285.391 2.683 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2C)CC1 ZINC000358974413 394117929 /nfs/dbraw/zinc/11/79/29/394117929.db2.gz IDQPOUGTMHUHRK-LSDHHAIUSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000358988236 394119357 /nfs/dbraw/zinc/11/93/57/394119357.db2.gz RQHAXGGUVIOQEN-ZDUSSCGKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H]1CCCOc2cc(F)ccc21 ZINC000359232174 394127791 /nfs/dbraw/zinc/12/77/91/394127791.db2.gz ZMBGOECTQIIMAR-DOMZBBRYSA-N 0 3 279.355 2.814 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000359232175 394128098 /nfs/dbraw/zinc/12/80/98/394128098.db2.gz ZMBGOECTQIIMAR-IUODEOHRSA-N 0 3 279.355 2.814 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000442669283 394139125 /nfs/dbraw/zinc/13/91/25/394139125.db2.gz GNSZGOZWPBDNTR-YQQAZPJKSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(CCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000285799863 394148133 /nfs/dbraw/zinc/14/81/33/394148133.db2.gz YNYFXQFDSHRLSH-UHFFFAOYSA-N 0 3 259.349 2.918 20 30 CFEDHN N#Cc1c(CN2CCC[C@@H](CCO)CC2)cn2ccccc12 ZINC000421005904 394154448 /nfs/dbraw/zinc/15/44/48/394154448.db2.gz AQRSDKTZRQWXMP-OAHLLOKOSA-N 0 3 297.402 2.795 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000360693056 394157583 /nfs/dbraw/zinc/15/75/83/394157583.db2.gz XXJRQSXVQRHVNM-FUHWJXTLSA-N 0 3 287.403 2.835 20 30 CFEDHN C=CCC[C@@H](NCCCN1CCOCC1)c1ccco1 ZINC000285877115 394158700 /nfs/dbraw/zinc/15/87/00/394158700.db2.gz ZGOMOZXNGADUCQ-OAHLLOKOSA-N 0 3 278.396 2.599 20 30 CFEDHN N#CCCCN1CCC(CCCn2ccnc2)CC1 ZINC000361072249 394164970 /nfs/dbraw/zinc/16/49/70/394164970.db2.gz GHHWWGPGZNBNPD-UHFFFAOYSA-N 0 3 260.385 2.679 20 30 CFEDHN C#CCSCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286039963 394182842 /nfs/dbraw/zinc/18/28/42/394182842.db2.gz JRUJIMHQLITNTM-AWEZNQCLSA-N 0 3 277.437 2.987 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366085303 394239611 /nfs/dbraw/zinc/23/96/11/394239611.db2.gz JRMSGIZNRGXFRU-VXGBXAGGSA-N 0 3 253.777 2.788 20 30 CFEDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000291636793 394250938 /nfs/dbraw/zinc/25/09/38/394250938.db2.gz LZPNBFICLAGTLX-KRWDZBQOSA-N 0 3 292.386 2.948 20 30 CFEDHN C[C@H]1CCCCN1CCNCc1ccc(C#N)c(F)c1 ZINC000421337308 394190580 /nfs/dbraw/zinc/19/05/80/394190580.db2.gz YMYFSTKYAQYPGS-ZDUSSCGKSA-N 0 3 275.371 2.661 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccccc1-n1ccnn1 ZINC000286218219 394194503 /nfs/dbraw/zinc/19/45/03/394194503.db2.gz SEYZOLBPTQNCCT-AWEZNQCLSA-N 0 3 286.379 2.511 20 30 CFEDHN CC(C)N(CC#Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000292015901 394269965 /nfs/dbraw/zinc/26/99/65/394269965.db2.gz YADUTLZZBYPSLV-MRXNPFEDSA-N 0 3 261.340 2.677 20 30 CFEDHN Cc1nc(N(C)[C@@H]2CCN(C)C[C@H]2C)c(Cl)cc1C#N ZINC000292495861 394274857 /nfs/dbraw/zinc/27/48/57/394274857.db2.gz FJUSLIQCTSENOY-QMTHXVAHSA-N 0 3 292.814 2.692 20 30 CFEDHN C#CCN(C)CCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000295066352 394296704 /nfs/dbraw/zinc/29/67/04/394296704.db2.gz RPOAFRUHYYAFJU-INIZCTEOSA-N 0 3 290.382 2.584 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000372158050 394307448 /nfs/dbraw/zinc/30/74/48/394307448.db2.gz SKRJPCBOVZQIIA-HZPDHXFCSA-N 0 3 273.351 2.536 20 30 CFEDHN COc1ccccc1N1CC[C@H](C)N(CCCC#N)CC1 ZINC000372197253 394307504 /nfs/dbraw/zinc/30/75/04/394307504.db2.gz MVOSLNLPFZBJOJ-HNNXBMFYSA-N 0 3 287.407 2.900 20 30 CFEDHN CC#CCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000155393013 394316388 /nfs/dbraw/zinc/31/63/88/394316388.db2.gz HGBKOLVGGZCUPG-AWEZNQCLSA-N 0 3 257.333 2.966 20 30 CFEDHN Cc1nnc(NC[C@H]2CCN2C2CCCCC2)c(C#N)c1C ZINC000528117112 394393240 /nfs/dbraw/zinc/39/32/40/394393240.db2.gz YFLQINUMJKMWMP-OAHLLOKOSA-N 0 3 299.422 2.784 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913462 394378185 /nfs/dbraw/zinc/37/81/85/394378185.db2.gz SOYNVFOTHLUYKF-DDTOSNHZSA-N 0 3 298.308 2.864 20 30 CFEDHN CC#CCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000525633685 394382395 /nfs/dbraw/zinc/38/23/95/394382395.db2.gz NJHDYXNITNDDKI-UHFFFAOYSA-N 0 3 278.399 2.981 20 30 CFEDHN C[C@@H](N[C@@H](C)CC(C)(C)O)c1ccc(C#N)cc1F ZINC000453320478 394385135 /nfs/dbraw/zinc/38/51/35/394385135.db2.gz NGRUGTGENKAIDJ-WDEREUQCSA-N 0 3 264.344 2.897 20 30 CFEDHN COc1cc(CN[C@@H]2C[C@]2(C)OC(C)C)ccc1C#N ZINC000527803114 394409596 /nfs/dbraw/zinc/40/95/96/394409596.db2.gz VFQHLHYGPKMWRS-CVEARBPZSA-N 0 3 274.364 2.612 20 30 CFEDHN CC(C)(C)C1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000457355157 394441203 /nfs/dbraw/zinc/44/12/03/394441203.db2.gz PNMFGXIXHHMHDW-OAHLLOKOSA-N 0 3 295.386 2.745 20 30 CFEDHN C[C@@H](O)CN(CCC(C)(C)C#N)Cc1ccccc1 ZINC000538469408 394603874 /nfs/dbraw/zinc/60/38/74/394603874.db2.gz SNVRFJJUBUQSND-CQSZACIVSA-N 0 3 260.381 2.809 20 30 CFEDHN COc1cccc(CCNCc2ccc(C#N)o2)c1OC ZINC000539491324 394627223 /nfs/dbraw/zinc/62/72/23/394627223.db2.gz NQXNIURGZSCKOW-UHFFFAOYSA-N 0 3 286.331 2.501 20 30 CFEDHN N#Cc1ccc(N2CCC[C@@H](NC3(C4CC4)CC3)C2=O)cc1 ZINC000542521561 394706196 /nfs/dbraw/zinc/70/61/96/394706196.db2.gz NRMBJPBOMIBUJR-MRXNPFEDSA-N 0 3 295.386 2.586 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2ccncn2)cc1C1CC1 ZINC000556075119 394989155 /nfs/dbraw/zinc/98/91/55/394989155.db2.gz KBPYOCFMGSRTLU-CQSZACIVSA-N 0 3 293.326 2.853 20 30 CFEDHN COc1cc(CNCc2ccc3[nH]cnc3c2)ccc1C#N ZINC000554981919 394963489 /nfs/dbraw/zinc/96/34/89/394963489.db2.gz IWDKUWQIOWPJLA-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN COc1cc(CNCc2ccc3nc[nH]c3c2)ccc1C#N ZINC000554981919 394963492 /nfs/dbraw/zinc/96/34/92/394963492.db2.gz IWDKUWQIOWPJLA-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ncc[nH]1)C(C)C ZINC000285524267 542970803 /nfs/dbraw/zinc/97/08/03/542970803.db2.gz FBYIIROQLGXAIL-HUUCEWRRSA-N 0 3 276.428 2.759 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000648773753 395305989 /nfs/dbraw/zinc/30/59/89/395305989.db2.gz ZSZLSSMRUJZSHG-DZGCQCFKSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCCCCN1CCN(c2ccc(O)cc2)CC1 ZINC000649226119 395454841 /nfs/dbraw/zinc/45/48/41/395454841.db2.gz MMUKLDRRCSBKQC-UHFFFAOYSA-N 0 3 260.381 2.871 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(n2c(C)ccc2C)CC1 ZINC000649280132 395467097 /nfs/dbraw/zinc/46/70/97/395467097.db2.gz CLLHRQKYWGUQOI-INIZCTEOSA-N 0 3 262.397 2.679 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1cc(F)cc2F ZINC000650031387 395601304 /nfs/dbraw/zinc/60/13/04/395601304.db2.gz FRKLBGFVHGYSPW-KFWWJZLASA-N 0 3 265.303 2.885 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCSc2c(F)cccc21 ZINC000186683627 543052949 /nfs/dbraw/zinc/05/29/49/543052949.db2.gz ULWHWDURTBIIDA-GXFFZTMASA-N 0 3 267.369 2.889 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000044809142 397568813 /nfs/dbraw/zinc/56/88/13/397568813.db2.gz ULLPZKSOAFFETA-AJNSSVRESA-N 0 3 260.381 2.867 20 30 CFEDHN C=CCOc1cccc(CN2CCc3cc[nH]c(=O)c3C2)c1 ZINC000426375817 397573603 /nfs/dbraw/zinc/57/36/03/397573603.db2.gz ARUCMAGVSALTJT-UHFFFAOYSA-N 0 3 296.370 2.910 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CCCCC1 ZINC000650511684 397817416 /nfs/dbraw/zinc/81/74/16/397817416.db2.gz DQALUFJNZVCFSA-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN CC(C)(C)CCN1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356055851 155151029 /nfs/dbraw/zinc/15/10/29/155151029.db2.gz MADDBSPAPVDPHH-UHFFFAOYSA-N 0 3 292.452 2.569 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cn2c(cccc2C)n1 ZINC000411638236 413234313 /nfs/dbraw/zinc/23/43/13/413234313.db2.gz HAUQYMQVZXSEOI-UHFFFAOYSA-N 0 3 286.423 2.582 20 30 CFEDHN Cc1ccc(/C=C2\C(=O)c3ncnn3C2C)c(C)c1 ZINC000825157069 782002979 /nfs/dbraw/zinc/00/29/79/782002979.db2.gz KFJVAFPAEMEEEX-HKMIMPICSA-N 0 3 253.305 2.736 20 30 CFEDHN CCCN(CCN1CCCCC1)c1cccc(C#N)n1 ZINC000343357679 154183590 /nfs/dbraw/zinc/18/35/90/154183590.db2.gz GUYDSFXPOWRGME-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000345689032 154240005 /nfs/dbraw/zinc/24/00/05/154240005.db2.gz FKYRKWGILMSCNY-JIMOISOXSA-N 0 3 264.394 2.769 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000345710145 154247113 /nfs/dbraw/zinc/24/71/13/154247113.db2.gz KGRAJZWUCVUEDY-UHFFFAOYSA-N 0 3 293.370 2.801 20 30 CFEDHN C[C@@H](NCCOC(F)(F)F)c1cccc(C#N)c1 ZINC000348063058 154302312 /nfs/dbraw/zinc/30/23/12/154302312.db2.gz VPSRMUJHPDGNTA-SECBINFHSA-N 0 3 258.243 2.745 20 30 CFEDHN C[C@@H](NCCCn1ccnc1)c1ccc(C#N)cc1F ZINC000358597716 155817467 /nfs/dbraw/zinc/81/74/67/155817467.db2.gz XDLAVFAZMIEWFE-GFCCVEGCSA-N 0 3 272.327 2.635 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(Cl)cc1C#N ZINC000360141427 156032042 /nfs/dbraw/zinc/03/20/42/156032042.db2.gz SGWGIXOMXSOPMK-NWDGAFQWSA-N 0 3 277.799 2.736 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360206126 156050882 /nfs/dbraw/zinc/05/08/82/156050882.db2.gz YSFONPFELJLFTR-PBHICJAKSA-N 0 3 299.418 2.652 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000657209019 413338376 /nfs/dbraw/zinc/33/83/76/413338376.db2.gz NPGJKGYHNCAQCX-CVEARBPZSA-N 0 3 273.376 2.862 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375406296 157239852 /nfs/dbraw/zinc/23/98/52/157239852.db2.gz SVOZQSJCMGVCMI-HNNXBMFYSA-N 0 3 294.358 2.808 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000375457435 157246061 /nfs/dbraw/zinc/24/60/61/157246061.db2.gz JQJQLWRMIFMXCI-CQSZACIVSA-N 0 3 262.328 2.698 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)CCC(C)C)nn1 ZINC000657287143 413400117 /nfs/dbraw/zinc/40/01/17/413400117.db2.gz YHWZJXVOYXVRJX-CYBMUJFWSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCc3ccccc3C2)nn1 ZINC000657289200 413400775 /nfs/dbraw/zinc/40/07/75/413400775.db2.gz NVPQKHISNYAXJZ-MRXNPFEDSA-N 0 3 282.391 2.501 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C(C)C)C2CC2)CC1 ZINC000660596994 413421775 /nfs/dbraw/zinc/42/17/75/413421775.db2.gz KTDROUKDFQUZMI-MRXNPFEDSA-N 0 3 293.455 2.761 20 30 CFEDHN Cc1ccnc(N2CCN(CCC(C)(C)C)CC2)c1C#N ZINC000343504159 161784439 /nfs/dbraw/zinc/78/44/39/161784439.db2.gz CMHJSTPCHDUTSO-UHFFFAOYSA-N 0 3 286.423 2.820 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2OC(F)F)cc1F ZINC000348520471 162865919 /nfs/dbraw/zinc/86/59/19/162865919.db2.gz JWVOZTHIMLMVMX-OLZOCXBDSA-N 0 3 284.281 2.947 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCc3ccccc32)n1 ZINC000352842064 163249691 /nfs/dbraw/zinc/24/96/91/163249691.db2.gz ACXCKUBXZFUICB-GFCCVEGCSA-N 0 3 269.373 2.834 20 30 CFEDHN CCC[C@]1(NCc2cc(C#N)cs2)CCOC1 ZINC000353038814 163295210 /nfs/dbraw/zinc/29/52/10/163295210.db2.gz NYICWYPFCYGHBD-ZDUSSCGKSA-N 0 3 250.367 2.669 20 30 CFEDHN CCCCOCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353391319 163357865 /nfs/dbraw/zinc/35/78/65/163357865.db2.gz WUDCQPHECXPWAS-INIZCTEOSA-N 0 3 258.365 2.952 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651469801 413487910 /nfs/dbraw/zinc/48/79/10/413487910.db2.gz ZZQDPJTWNPFSSE-ZYHUDNBSSA-N 0 3 276.336 2.511 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651469799 413489263 /nfs/dbraw/zinc/48/92/63/413489263.db2.gz ZZQDPJTWNPFSSE-JQWIXIFHSA-N 0 3 276.336 2.511 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000663997856 413503436 /nfs/dbraw/zinc/50/34/36/413503436.db2.gz GFTDYYCWTFPAHP-LBPRGKRZSA-N 0 3 267.417 2.513 20 30 CFEDHN CCC(C)(C)N1CCN(CC#Cc2ccccc2)CC1 ZINC000653810449 413511268 /nfs/dbraw/zinc/51/12/68/413511268.db2.gz DGVRGYZYVCQLSR-UHFFFAOYSA-N 0 3 270.420 2.844 20 30 CFEDHN CC#CCCN1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660717865 413511829 /nfs/dbraw/zinc/51/18/29/413511829.db2.gz LMXROVLGOGHNDW-UHFFFAOYSA-N 0 3 272.396 2.752 20 30 CFEDHN C=CCCn1cc(CN[C@H]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000657371338 413514116 /nfs/dbraw/zinc/51/41/16/413514116.db2.gz JGMZTVMESOALCM-WDNDVIMCSA-N 0 3 262.401 2.769 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@](C)(CC)C2CC2)CC1 ZINC000664014997 413515714 /nfs/dbraw/zinc/51/57/14/413515714.db2.gz CEUNEXZKOWXXFF-KRWDZBQOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](CC)C2)nn1 ZINC000657373283 413517519 /nfs/dbraw/zinc/51/75/19/413517519.db2.gz RLTUSBDBTLUQPP-ZIAGYGMSSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2cccnc2OCCOC)C1 ZINC000651678529 413566737 /nfs/dbraw/zinc/56/67/37/413566737.db2.gz SXZCASPKCULGJS-ZBFHGGJFSA-N 0 3 290.407 2.941 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000285221753 196225404 /nfs/dbraw/zinc/22/54/04/196225404.db2.gz RTZTWHFSUSHRGD-ZWKOTPCHSA-N 0 3 285.387 2.842 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)c1cnccn1 ZINC000285268874 196237254 /nfs/dbraw/zinc/23/72/54/196237254.db2.gz YBZIARZJGXNGIW-GOEBONIOSA-N 0 3 265.360 2.762 20 30 CFEDHN C=CCCn1cc(CNCC2(Cc3ccccc3)CC2)nn1 ZINC000657412512 413571257 /nfs/dbraw/zinc/57/12/57/413571257.db2.gz GETQOXCFCMUGLD-UHFFFAOYSA-N 0 3 296.418 2.967 20 30 CFEDHN C=CC[C@H](C)NCc1cc(F)c(OC)cc1OC ZINC000651713232 413586966 /nfs/dbraw/zinc/58/69/66/413586966.db2.gz IPOZOGUDRYSLIT-JTQLQIEISA-N 0 3 253.317 2.897 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(F)ccc1OC(F)F ZINC000657426492 413590554 /nfs/dbraw/zinc/59/05/54/413590554.db2.gz GGPFIRYHIKSVCJ-JTQLQIEISA-N 0 3 289.297 2.701 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@@H](C)[C@@H](C)C2)nn1 ZINC000657434265 413600218 /nfs/dbraw/zinc/60/02/18/413600218.db2.gz BPSARXJAGQBFGE-HZSPNIEDSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CC[C@@H](CC)NCc1cc(C(F)(F)F)nn1C ZINC000657456735 413630174 /nfs/dbraw/zinc/63/01/74/413630174.db2.gz WNTKXELYMZVTKT-SECBINFHSA-N 0 3 261.291 2.883 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2ccc(S(C)(=O)=O)s2)C1 ZINC000651782758 413635761 /nfs/dbraw/zinc/63/57/61/413635761.db2.gz DFNHEFYQPCZNOL-VXGBXAGGSA-N 0 3 299.461 2.986 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000664216610 413638893 /nfs/dbraw/zinc/63/88/93/413638893.db2.gz IMRLMXQXJKVYCU-CHWSQXEVSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CC[C@H](CC)CC2)nn1 ZINC000657474159 413657184 /nfs/dbraw/zinc/65/71/84/413657184.db2.gz ZBCSXCPTNUOOSE-HDJSIYSDSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccn3)[n-]2)C1 ZINC000651825781 413668726 /nfs/dbraw/zinc/66/87/26/413668726.db2.gz VUMDXRFBTQNENV-QWHCGFSZSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2c(CC)nn(C)c2OC)C1 ZINC000651748314 413609230 /nfs/dbraw/zinc/60/92/30/413609230.db2.gz HDZFQAUPMKCGAE-OLZOCXBDSA-N 0 3 277.412 2.826 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](C)CC2)nn1 ZINC000657441589 413612606 /nfs/dbraw/zinc/61/26/06/413612606.db2.gz BHWQNVMKWCZIAC-UONOGXRCSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000660843839 413616826 /nfs/dbraw/zinc/61/68/26/413616826.db2.gz CLHMXYLUSHEPTA-ARFHVFGLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000651763657 413623209 /nfs/dbraw/zinc/62/32/09/413623209.db2.gz GSWUXEVZHQAENW-UGFHNGPFSA-N 0 3 276.355 2.687 20 30 CFEDHN C=CCCCCNCc1cnnn1-c1ccccc1 ZINC000651764870 413623378 /nfs/dbraw/zinc/62/33/78/413623378.db2.gz RHYVAYLTBGGNCW-UHFFFAOYSA-N 0 3 256.353 2.713 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651761215 413623396 /nfs/dbraw/zinc/62/33/96/413623396.db2.gz IYTUQAUFAQORNA-CMPLNLGQSA-N 0 3 269.747 2.993 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000660867837 413623440 /nfs/dbraw/zinc/62/34/40/413623440.db2.gz GJTMGYZEVQTOMI-RRFJBIMHSA-N 0 3 291.439 2.609 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)CC(C)(C)C)nn1 ZINC000657489107 413678805 /nfs/dbraw/zinc/67/88/05/413678805.db2.gz WNQDKEAQFXCEMF-GFCCVEGCSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1nc(C)c[nH]1 ZINC000657497354 413688187 /nfs/dbraw/zinc/68/81/87/413688187.db2.gz WFVPOGUIEPVUKG-OAHLLOKOSA-N 0 3 255.365 2.995 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nccnc1OC ZINC000657529296 413712533 /nfs/dbraw/zinc/71/25/33/413712533.db2.gz BRNJHNXORZGGCO-OLZOCXBDSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2COC(C)(C)C2)c1 ZINC000657530965 413713477 /nfs/dbraw/zinc/71/34/77/413713477.db2.gz VENSLXWBZCRZGO-CQSZACIVSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nccnc1OC ZINC000657529295 413713637 /nfs/dbraw/zinc/71/36/37/413713637.db2.gz BRNJHNXORZGGCO-CHWSQXEVSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CCCC1 ZINC000664368487 413715917 /nfs/dbraw/zinc/71/59/17/413715917.db2.gz SNHAVGVKGQDFAR-ZIAGYGMSSA-N 0 3 291.439 2.800 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(OC)nn1 ZINC000661114144 413765621 /nfs/dbraw/zinc/76/56/21/413765621.db2.gz DYYJZFJZRLZCFR-OCCSQVGLSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1ccc(OC)nn1 ZINC000661114145 413766179 /nfs/dbraw/zinc/76/61/79/413766179.db2.gz DYYJZFJZRLZCFR-TZMCWYRMSA-N 0 3 261.369 2.710 20 30 CFEDHN C#CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285490802 196303192 /nfs/dbraw/zinc/30/31/92/196303192.db2.gz MHCRPDXEAQBTLE-UHFFFAOYSA-N 0 3 272.323 2.564 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2cc(=O)n3ccccc3n2)C1 ZINC000652039067 413783921 /nfs/dbraw/zinc/78/39/21/413783921.db2.gz KSBYDGHYVLDEHU-ZIAGYGMSSA-N 0 3 283.375 2.529 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](C)C1(CO)CC1 ZINC000657601605 413784249 /nfs/dbraw/zinc/78/42/49/413784249.db2.gz BEGHKUBXEZPTHF-ZDUSSCGKSA-N 0 3 261.365 2.502 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2cc(=O)n3ccccc3n2)C1 ZINC000652039064 413784741 /nfs/dbraw/zinc/78/47/41/413784741.db2.gz KSBYDGHYVLDEHU-KBPBESRZSA-N 0 3 283.375 2.529 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000654482070 413882026 /nfs/dbraw/zinc/88/20/26/413882026.db2.gz WUSDLPGVQIPWOK-UONOGXRCSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCC[C@@H](NC[C@H](C)N1CCN(C)CC1)c1ccco1 ZINC000285520276 196313093 /nfs/dbraw/zinc/31/30/93/196313093.db2.gz BCQVYVYGCGFQPS-JKSUJKDBSA-N 0 3 291.439 2.512 20 30 CFEDHN C=CCN(C[C@H](O)CCc1ccccc1)[C@H](C)COC ZINC000661240330 413842686 /nfs/dbraw/zinc/84/26/86/413842686.db2.gz NJXMUNGBNPDZKA-NVXWUHKLSA-N 0 3 277.408 2.503 20 30 CFEDHN C=CCN(CCC(=O)Nc1cccc(F)c1)[C@H](C)COC ZINC000661244554 413846763 /nfs/dbraw/zinc/84/67/63/413846763.db2.gz VAPBRCDQLAGNPP-CYBMUJFWSA-N 0 3 294.370 2.677 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661359701 413917121 /nfs/dbraw/zinc/91/71/21/413917121.db2.gz QLSMLJOSXOMQRQ-AWEZNQCLSA-N 0 3 281.444 2.905 20 30 CFEDHN CN(C)[C@H](CNc1ccnc(C#N)c1)c1ccccc1 ZINC000285545949 196322601 /nfs/dbraw/zinc/32/26/01/196322601.db2.gz IFWCNAVAIWGXKX-MRXNPFEDSA-N 0 3 266.348 2.668 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCC[C@H](C)C2)C1 ZINC000661376276 413931365 /nfs/dbraw/zinc/93/13/65/413931365.db2.gz ADCYMUCDVDAPPC-LSDHHAIUSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1 ZINC000661408127 413957363 /nfs/dbraw/zinc/95/73/63/413957363.db2.gz OSZUYSYIYGEXKH-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1-c1ccccc1 ZINC000657855490 414004896 /nfs/dbraw/zinc/00/48/96/414004896.db2.gz DUJRKSQCTGCWNY-GOEBONIOSA-N 0 3 297.406 2.887 20 30 CFEDHN C=CCC[C@@H](NCCCOCCOC)c1ccco1 ZINC000285647300 196354625 /nfs/dbraw/zinc/35/46/25/196354625.db2.gz MBADAOXEBJQXSL-CQSZACIVSA-N 0 3 267.369 2.930 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](C2CCCCC2)C1 ZINC000661582433 414065585 /nfs/dbraw/zinc/06/55/85/414065585.db2.gz DAOMGSJSCIZDHP-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)[C@H](CC(=O)N1CCN(C(C)(C)CC)CC1)OCC ZINC000655271263 414162334 /nfs/dbraw/zinc/16/23/34/414162334.db2.gz DKEDTBRASCGKHE-HNNXBMFYSA-N 0 3 296.455 2.691 20 30 CFEDHN O[C@@]1(C2CC2)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000661624156 414090377 /nfs/dbraw/zinc/09/03/77/414090377.db2.gz DMKVQJORLDJBSP-KRWDZBQOSA-N 0 3 289.806 2.928 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000658027091 414111325 /nfs/dbraw/zinc/11/13/25/414111325.db2.gz KIEQHUIUVMIJDG-YPMHNXCESA-N 0 3 260.385 2.907 20 30 CFEDHN C=CCN(CCn1cnc2ccccc2c1=O)C(C)(C)C ZINC000661759871 414199664 /nfs/dbraw/zinc/19/96/64/414199664.db2.gz KPZGVWQGOFKGMS-UHFFFAOYSA-N 0 3 285.391 2.683 20 30 CFEDHN O[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C12CCC2 ZINC000661830021 414242513 /nfs/dbraw/zinc/24/25/13/414242513.db2.gz FJZUYZQXBKUYMA-GJZGRUSLSA-N 0 3 275.779 2.585 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C2CCC2)C1 ZINC000665286326 414258531 /nfs/dbraw/zinc/25/85/31/414258531.db2.gz JFCXSYARHPPIEM-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN CC#CCN1CCC2(CCc3ccccc3O2)CC1 ZINC000662050982 414386400 /nfs/dbraw/zinc/38/64/00/414386400.db2.gz WFTPVEXWEBGFNO-UHFFFAOYSA-N 0 3 255.361 2.870 20 30 CFEDHN C=CCN(C(=O)Nc1cc(C)cc(CN)c1)[C@@H](C)COC ZINC000659023530 414438265 /nfs/dbraw/zinc/43/82/65/414438265.db2.gz JJJABCUBNABDFW-ZDUSSCGKSA-N 0 3 291.395 2.509 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(CC)CC ZINC000662078811 414398305 /nfs/dbraw/zinc/39/83/05/414398305.db2.gz HBRJXZLOVMDZNU-YUELXQCFSA-N 0 3 264.413 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)N(C)C)c1ccccc1 ZINC000662082590 414400847 /nfs/dbraw/zinc/40/08/47/414400847.db2.gz WHDYMRBUGFDNKU-BBWFWOEESA-N 0 3 284.403 2.999 20 30 CFEDHN C=CCCCCCN(C)C(=O)C1(NC2CC2)CCC1 ZINC000662611676 414574722 /nfs/dbraw/zinc/57/47/22/414574722.db2.gz DJJISAOUHAHNBZ-UHFFFAOYSA-N 0 3 264.413 2.866 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)CNCC ZINC000044293892 175160840 /nfs/dbraw/zinc/16/08/40/175160840.db2.gz RNQXKRVQXNVZFL-UHFFFAOYSA-N 0 3 272.801 2.526 20 30 CFEDHN C[C@H]1CCCCN1CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000044532895 175195845 /nfs/dbraw/zinc/19/58/45/175195845.db2.gz GQYMQLVAEMOARR-HVHJFMEUSA-N 0 3 297.402 2.562 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCN(C2CC2)C1 ZINC000044686193 175231717 /nfs/dbraw/zinc/23/17/17/175231717.db2.gz PQEHUAAAKPRJME-HNNXBMFYSA-N 0 3 272.392 2.578 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2CC)CC1 ZINC000078545607 177352249 /nfs/dbraw/zinc/35/22/49/177352249.db2.gz YPNOTDNAQCNYNO-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000347115203 226029936 /nfs/dbraw/zinc/02/99/36/226029936.db2.gz PRNSMMNLHFMTTG-NQBHXWOUSA-N 0 3 260.312 2.690 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000171741084 335076842 /nfs/dbraw/zinc/07/68/42/335076842.db2.gz VLGJGUSRAJMOOA-ZBFHGGJFSA-N 0 3 293.455 2.857 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000349801602 226846300 /nfs/dbraw/zinc/84/63/00/226846300.db2.gz MFKMHIBQZVIIJS-WBVHZDCISA-N 0 3 280.375 2.713 20 30 CFEDHN COc1cc(C(=O)C(C#N)c2ccncn2)ccc1Cl ZINC000354468640 227003468 /nfs/dbraw/zinc/00/34/68/227003468.db2.gz PBGRWQQXANERBD-JTQLQIEISA-N 0 3 287.706 2.629 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000336528722 227096479 /nfs/dbraw/zinc/09/64/79/227096479.db2.gz VTWARJVQWAEPCB-JSGCOSHPSA-N 0 3 256.349 2.798 20 30 CFEDHN C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H](C)C2(CCC2)C1 ZINC000329155216 227331773 /nfs/dbraw/zinc/33/17/73/227331773.db2.gz VCPJTFJBLCAVAQ-NWDGAFQWSA-N 0 3 293.411 2.920 20 30 CFEDHN O=C(C[C@@H]1CCCC[C@H]1O)NC1CCN(C2CC2)CC1 ZINC000329206409 227352260 /nfs/dbraw/zinc/35/22/60/227352260.db2.gz ZOFAGODUXLFOBK-SWLSCSKDSA-N 0 3 280.412 2.511 20 30 CFEDHN NC(=O)[C@@H]1CCC[C@H](C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000329887328 227976189 /nfs/dbraw/zinc/97/61/89/227976189.db2.gz XGTSYMSYWZEYAA-NEPJUHHUSA-N 0 3 293.411 2.911 20 30 CFEDHN Cc1ccccc1C[C@H]1CCCN1C(=O)C(C)C#N ZINC000336001177 228176995 /nfs/dbraw/zinc/17/69/95/228176995.db2.gz UEFWEBMEHNTVLF-UKRRQHHQSA-N 0 3 256.349 2.688 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)N(C)CC3)n1 ZINC000333301476 228196319 /nfs/dbraw/zinc/19/63/19/228196319.db2.gz LWXYRPAKNUOVJP-CYBMUJFWSA-N 0 3 297.383 2.934 20 30 CFEDHN N#CC1(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCC1 ZINC000333635897 228207647 /nfs/dbraw/zinc/20/76/47/228207647.db2.gz BCISJHGDCZBSOC-CYBMUJFWSA-N 0 3 285.395 2.555 20 30 CFEDHN C=CCCNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000656705107 420503459 /nfs/dbraw/zinc/50/34/59/420503459.db2.gz NOIZMHUIKROIAZ-UHFFFAOYSA-N 0 3 295.448 2.924 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C ZINC001085401675 782032240 /nfs/dbraw/zinc/03/22/40/782032240.db2.gz ABXGNTYMZTVAOG-VXGBXAGGSA-N 0 3 272.820 2.802 20 30 CFEDHN C=CCCC1(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000357168846 260140464 /nfs/dbraw/zinc/14/04/64/260140464.db2.gz NPXFJZQUUAYOTF-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN CCCN(CC#N)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363374863 260145377 /nfs/dbraw/zinc/14/53/77/260145377.db2.gz INSWMKAUSOGKQH-QGZVFWFLSA-N 0 3 299.418 2.661 20 30 CFEDHN CC(C)[C@H](C)NC(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407989242 260153245 /nfs/dbraw/zinc/15/32/45/260153245.db2.gz IZHMDEMNYBPDKB-DZKIICNBSA-N 0 3 291.439 2.551 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000517755087 260174552 /nfs/dbraw/zinc/17/45/52/260174552.db2.gz MXRHOUBSBPYZQQ-LSDHHAIUSA-N 0 3 272.392 2.737 20 30 CFEDHN C=CCOc1ccccc1CNCC(O)(CC)CC ZINC000088225914 260229813 /nfs/dbraw/zinc/22/98/13/260229813.db2.gz GMMPUUHQFCMVSD-UHFFFAOYSA-N 0 3 263.381 2.892 20 30 CFEDHN N#CCSCCCN1CC(Cc2cccc(F)c2)C1 ZINC000363466913 260263499 /nfs/dbraw/zinc/26/34/99/260263499.db2.gz HHKJOROONRGMMZ-UHFFFAOYSA-N 0 3 278.396 2.947 20 30 CFEDHN CCOC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000313464521 260296504 /nfs/dbraw/zinc/29/65/04/260296504.db2.gz BPVLGHQCXZMWSX-MRXNPFEDSA-N 0 3 258.365 2.949 20 30 CFEDHN CCOC[C@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000313489017 260298322 /nfs/dbraw/zinc/29/83/22/260298322.db2.gz VQTZLYSKWHJWDK-MRXNPFEDSA-N 0 3 288.391 2.828 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cc(OC)ccc1OC ZINC000090451213 260359388 /nfs/dbraw/zinc/35/93/88/260359388.db2.gz YWBLPXUOFQTCTK-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN C[C@@H](CC#N)N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000086163084 260387307 /nfs/dbraw/zinc/38/73/07/260387307.db2.gz CSLAFURABMVJEW-LBPRGKRZSA-N 0 3 274.368 2.514 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1C[C@H](O)C1(C)C ZINC000129592208 260387898 /nfs/dbraw/zinc/38/78/98/260387898.db2.gz KWPPQQHTEYXQNQ-GJZGRUSLSA-N 0 3 261.365 2.500 20 30 CFEDHN C=C(C)CN(CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173495808 261164510 /nfs/dbraw/zinc/16/45/10/261164510.db2.gz QBFSTBIUSISWKQ-UHFFFAOYSA-N 0 3 294.351 2.880 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(CC)c(C)c2)CC1 ZINC000490898449 261239752 /nfs/dbraw/zinc/23/97/52/261239752.db2.gz KOCWXRDQKZVILT-UHFFFAOYSA-N 0 3 284.403 2.841 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000249416833 261252426 /nfs/dbraw/zinc/25/24/26/261252426.db2.gz WJNWLLZWOXUWMZ-HLLBOEOZSA-N 0 3 293.455 2.941 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H]1C1CCCC1 ZINC000249757697 261258037 /nfs/dbraw/zinc/25/80/37/261258037.db2.gz KYYYGIJKAMNSLZ-RDJZCZTQSA-N 0 3 291.439 2.695 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)CN(C)C(C)C ZINC000104547076 261296189 /nfs/dbraw/zinc/29/61/89/261296189.db2.gz JEMFOAYWZRTESE-UHFFFAOYSA-N 0 3 267.417 2.505 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCC2(C)CCC2)CC1 ZINC000176627225 261301035 /nfs/dbraw/zinc/30/10/35/261301035.db2.gz GRJRFZNXYSJTEQ-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](O)Cc1ccccc1 ZINC000105493524 261310741 /nfs/dbraw/zinc/31/07/41/261310741.db2.gz MUKFEDYXWZLJEW-SFHVURJKSA-N 0 3 297.398 2.945 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)CC)CC1 ZINC000106035237 261320274 /nfs/dbraw/zinc/32/02/74/261320274.db2.gz LASYSNYLSAUDGI-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000106035592 261320293 /nfs/dbraw/zinc/32/02/93/261320293.db2.gz ZVZQEYXILLGICH-OAHLLOKOSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C)(CCC#N)CNCc1nccn1C(F)F ZINC000174315023 261566512 /nfs/dbraw/zinc/56/65/12/261566512.db2.gz JCUBMOUIENSFCK-UHFFFAOYSA-N 0 3 256.300 2.698 20 30 CFEDHN COC[C@@H](NCCCSCC#N)c1ccc(C)o1 ZINC000184641800 262024764 /nfs/dbraw/zinc/02/47/64/262024764.db2.gz PGSALHLFMFLEMV-GFCCVEGCSA-N 0 3 268.382 2.512 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCCOc2cccc(F)c2)C1 ZINC000185791178 262071669 /nfs/dbraw/zinc/07/16/69/262071669.db2.gz PBZCPLQCLCWDMT-OCCSQVGLSA-N 0 3 262.328 2.876 20 30 CFEDHN N#CC1(c2ccccc2)CC(NCc2cccc(CO)c2)C1 ZINC000318878972 262091713 /nfs/dbraw/zinc/09/17/13/262091713.db2.gz DQBWJZSKHQUVKQ-UHFFFAOYSA-N 0 3 292.382 2.892 20 30 CFEDHN C[C@@]1(c2ccccc2)CC[C@H](N2CCN(CC#N)CC2)C1 ZINC000187143901 262125770 /nfs/dbraw/zinc/12/57/70/262125770.db2.gz KINPTVWPXDOUKE-ZWKOTPCHSA-N 0 3 283.419 2.638 20 30 CFEDHN CC#CCCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000497298532 262137913 /nfs/dbraw/zinc/13/79/13/262137913.db2.gz NLPHTBLHKGJXOL-KGLIPLIRSA-N 0 3 280.412 2.777 20 30 CFEDHN Cc1coc(SCC(=O)C(C#N)c2nc(C)cs2)n1 ZINC000188396052 262155196 /nfs/dbraw/zinc/15/51/96/262155196.db2.gz VSQHMLJQHRILOZ-SECBINFHSA-N 0 3 293.373 2.717 20 30 CFEDHN COc1ccc(CNC[C@@H](C)OC)cc1OCCCC#N ZINC000191144491 262189894 /nfs/dbraw/zinc/18/98/94/262189894.db2.gz ADOMDPYRTFPQDC-CYBMUJFWSA-N 0 3 292.379 2.502 20 30 CFEDHN N#CCCCN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192116246 262198438 /nfs/dbraw/zinc/19/84/38/262198438.db2.gz UTTUOFDWYLUMRM-ZIAGYGMSSA-N 0 3 266.291 2.688 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000116955312 262200269 /nfs/dbraw/zinc/20/02/69/262200269.db2.gz KJJKIXKMGYLNSC-GDBMZVCRSA-N 0 3 289.423 2.862 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N[C@@H](C)CCC)CC1 ZINC000111260124 262264528 /nfs/dbraw/zinc/26/45/28/262264528.db2.gz NZCOPRYQSWZZQR-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000111257673 262258320 /nfs/dbraw/zinc/25/83/20/262258320.db2.gz JRHSVXAHPZTIHH-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC1CCN(CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000111258242 262258917 /nfs/dbraw/zinc/25/89/17/262258917.db2.gz XGIYJLFTZIBKLK-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000111260101 262259066 /nfs/dbraw/zinc/25/90/66/262259066.db2.gz ORWPJCHICFARMO-HNNXBMFYSA-N 0 3 286.419 2.898 20 30 CFEDHN C=CC1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000111258505 262259078 /nfs/dbraw/zinc/25/90/78/262259078.db2.gz BOGWFJZZOQIVRB-GOSISDBHSA-N 0 3 263.406 2.692 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000111259574 262264449 /nfs/dbraw/zinc/26/44/49/262264449.db2.gz IWAAKECDODXTDO-AWEZNQCLSA-N 0 3 266.429 2.918 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000111259571 262264729 /nfs/dbraw/zinc/26/47/29/262264729.db2.gz IWAAKECDODXTDO-CQSZACIVSA-N 0 3 266.429 2.918 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000364945609 262265319 /nfs/dbraw/zinc/26/53/19/262265319.db2.gz PBDZKBZSSVRCNG-CQSZACIVSA-N 0 3 287.407 2.946 20 30 CFEDHN CO[C@@H](C)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000364999967 262266975 /nfs/dbraw/zinc/26/69/75/262266975.db2.gz PPWCKQIGDADQIQ-VRLRAXNCSA-N 0 3 258.365 2.623 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)CCCCC1 ZINC000365032162 262267909 /nfs/dbraw/zinc/26/79/09/262267909.db2.gz KJPKAOMARDRNNI-CVEARBPZSA-N 0 3 288.435 2.655 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(Br)s1 ZINC000184274059 262275555 /nfs/dbraw/zinc/27/55/55/262275555.db2.gz VDAPZDLDRBOKNZ-MRVPVSSYSA-N 0 3 276.199 2.537 20 30 CFEDHN C=CC[C@H](C(=O)NCCN1CCCCC1)c1ccccc1 ZINC000188261170 262287472 /nfs/dbraw/zinc/28/74/72/262287472.db2.gz JCTOAACYRAABGF-KRWDZBQOSA-N 0 3 286.419 2.948 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1CCCC[C@H]1CC ZINC000188401518 262293510 /nfs/dbraw/zinc/29/35/10/262293510.db2.gz LTZGIUYAGVJHSY-GDBMZVCRSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000186717985 262320280 /nfs/dbraw/zinc/32/02/80/262320280.db2.gz NTAGRJFRYPPVJF-CMPLNLGQSA-N 0 3 271.307 2.876 20 30 CFEDHN C=CCCCN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000117883114 262359920 /nfs/dbraw/zinc/35/99/20/262359920.db2.gz QDPFKYAYZXQIDT-HNNXBMFYSA-N 0 3 276.355 2.829 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@@H](Oc2ccncc2)C1 ZINC000336821467 262397481 /nfs/dbraw/zinc/39/74/81/262397481.db2.gz HXTXBOJWOGHRKO-OAHLLOKOSA-N 0 3 273.380 2.865 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411165044 262681909 /nfs/dbraw/zinc/68/19/09/262681909.db2.gz NPZJIZRCEJTRJA-UHFFFAOYSA-N 0 3 289.335 2.597 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2c(C)coc2C)CC1 ZINC000339946344 262697096 /nfs/dbraw/zinc/69/70/96/262697096.db2.gz POFKKVMYVJWEOU-UHFFFAOYSA-N 0 3 276.380 2.667 20 30 CFEDHN Cn1ccnc1NCc1cccc(OCCCC#N)c1 ZINC000414297957 262838810 /nfs/dbraw/zinc/83/88/10/262838810.db2.gz IBMDZUSVMOOFPG-UHFFFAOYSA-N 0 3 270.336 2.715 20 30 CFEDHN Cn1c2ccccc2nc1CCN1CCC(C)(C#N)CC1 ZINC000272574145 263007148 /nfs/dbraw/zinc/00/71/48/263007148.db2.gz NKRKFJDNDMFJMD-UHFFFAOYSA-N 0 3 282.391 2.741 20 30 CFEDHN C[S@@](=O)C[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000273391758 263016461 /nfs/dbraw/zinc/01/64/61/263016461.db2.gz NSHZQHASPHUNNT-IFXJQAMLSA-N 0 3 278.421 2.636 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N[C@H](CCO)c2ccccc2)C1 ZINC000274250741 263022421 /nfs/dbraw/zinc/02/24/21/263022421.db2.gz YTPMDYFCDFOVRP-NUEKZKHPSA-N 0 3 258.365 2.782 20 30 CFEDHN CC[C@@H](CC#N)NC(=O)Nc1ccccc1CCN(C)C ZINC000275686899 263033886 /nfs/dbraw/zinc/03/38/86/263033886.db2.gz QTCTUOZACJCOPW-AWEZNQCLSA-N 0 3 288.395 2.604 20 30 CFEDHN C[C@H](CCC#N)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000276282401 263035574 /nfs/dbraw/zinc/03/55/74/263035574.db2.gz GDDUCBMOFWBSGN-GFCCVEGCSA-N 0 3 291.420 2.635 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000276282406 263035688 /nfs/dbraw/zinc/03/56/88/263035688.db2.gz GDDUCBMOFWBSGN-LBPRGKRZSA-N 0 3 291.420 2.635 20 30 CFEDHN N#CCCCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278322059 263046844 /nfs/dbraw/zinc/04/68/44/263046844.db2.gz AHBAKOYSQOKVSZ-ZDUSSCGKSA-N 0 3 277.343 2.758 20 30 CFEDHN Cc1cccc(OCCN(C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000278651218 263049363 /nfs/dbraw/zinc/04/93/63/263049363.db2.gz PVGLUXBKPLWVIQ-HUUCEWRRSA-N 0 3 258.365 2.998 20 30 CFEDHN CCCCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279161519 263053439 /nfs/dbraw/zinc/05/34/39/263053439.db2.gz BWFOKHQJCVZJHD-OAHLLOKOSA-N 0 3 269.348 2.547 20 30 CFEDHN CC[C@H](C)[C@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279430612 263055254 /nfs/dbraw/zinc/05/52/54/263055254.db2.gz XRCHXKVUCUIKMD-HEHGZKQESA-N 0 3 283.375 2.791 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NC2CCCCC2)cc1 ZINC000279503007 263055952 /nfs/dbraw/zinc/05/59/52/263055952.db2.gz QRCOOYRPDMAFHI-HNNXBMFYSA-N 0 3 281.359 2.689 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000280311367 263060326 /nfs/dbraw/zinc/06/03/26/263060326.db2.gz GEADQGDISIHZRM-CKEIUWERSA-N 0 3 295.386 2.888 20 30 CFEDHN CC(C)(C#N)CCCN[C@]1(CO)CCOc2ccccc21 ZINC000281689081 263071218 /nfs/dbraw/zinc/07/12/18/263071218.db2.gz MWSPNFJLMSMUMQ-KRWDZBQOSA-N 0 3 288.391 2.576 20 30 CFEDHN COCC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(C)o1 ZINC000282406879 263076377 /nfs/dbraw/zinc/07/63/77/263076377.db2.gz RYGRWCATTGREFC-RDBSUJKOSA-N 0 3 262.353 2.948 20 30 CFEDHN N#CCCCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282611260 263077757 /nfs/dbraw/zinc/07/77/57/263077757.db2.gz YWSRGZKNBYGDOO-UHFFFAOYSA-N 0 3 287.382 2.956 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284723247 263087901 /nfs/dbraw/zinc/08/79/01/263087901.db2.gz JTYNXXWYBFKUFG-DLBZAZTESA-N 0 3 286.375 2.732 20 30 CFEDHN N#CCC1(CNCc2c[nH]nc2-c2ccccc2F)CC1 ZINC000366639010 263088925 /nfs/dbraw/zinc/08/89/25/263088925.db2.gz MTYPDBVYRGLOSW-UHFFFAOYSA-N 0 3 284.338 2.999 20 30 CFEDHN C[C@H]1CCSCCN1Cc1ccc(OCC#N)cc1 ZINC000286239891 263097764 /nfs/dbraw/zinc/09/77/64/263097764.db2.gz RTIPTVPWGKNXHX-ZDUSSCGKSA-N 0 3 276.405 2.916 20 30 CFEDHN C[C@H]1[C@@H](NC(=O)CC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000288251432 263103879 /nfs/dbraw/zinc/10/38/79/263103879.db2.gz OTPZGSCPAURIPV-HOCLYGCPSA-N 0 3 299.418 2.705 20 30 CFEDHN Cc1ccncc1CCCN1CCC(C)(C#N)CC1 ZINC000290355984 263116338 /nfs/dbraw/zinc/11/63/38/263116338.db2.gz MHWSIWCHXNGSAS-UHFFFAOYSA-N 0 3 257.381 2.948 20 30 CFEDHN CN(C)C[C@H](NC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000291577935 263123910 /nfs/dbraw/zinc/12/39/10/263123910.db2.gz YOSYPGXYKYCBTJ-AWEZNQCLSA-N 0 3 293.798 2.753 20 30 CFEDHN CN(CCSCCOCCC#N)Cc1ccccc1 ZINC000292537614 263133086 /nfs/dbraw/zinc/13/30/86/263133086.db2.gz AUWPXKKAMSNZNC-UHFFFAOYSA-N 0 3 278.421 2.782 20 30 CFEDHN N#CCCOCCN1CCC(COc2ccccc2)CC1 ZINC000293391465 263139633 /nfs/dbraw/zinc/13/96/33/263139633.db2.gz GXDHWTLRUYKFEH-UHFFFAOYSA-N 0 3 288.391 2.708 20 30 CFEDHN CN(C)c1ccccc1CN(C)[C@@H]1CC[C@H](C#N)C1 ZINC000293494140 263142014 /nfs/dbraw/zinc/14/20/14/263142014.db2.gz GUBMZKCNUYHARW-DZGCQCFKSA-N 0 3 257.381 2.877 20 30 CFEDHN Cc1ccccc1OCCCN(C)CCOCCC#N ZINC000293640503 263145596 /nfs/dbraw/zinc/14/55/96/263145596.db2.gz XMGZHHIFCOZGBT-UHFFFAOYSA-N 0 3 276.380 2.626 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3ccncc3)CC2)C1 ZINC000293678196 263146643 /nfs/dbraw/zinc/14/66/43/263146643.db2.gz AHHCTFCMLAJOBX-CZUORRHYSA-N 0 3 255.365 2.953 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCC(c3ccncc3)CC2)C1 ZINC000293678212 263146711 /nfs/dbraw/zinc/14/67/11/263146711.db2.gz AHHCTFCMLAJOBX-XJKSGUPXSA-N 0 3 255.365 2.953 20 30 CFEDHN C[C@H](CCC#N)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000298356631 263218780 /nfs/dbraw/zinc/21/87/80/263218780.db2.gz CDCONNXFNHZLNC-HFBAOOFYSA-N 0 3 293.361 2.992 20 30 CFEDHN CCn1nccc1C1CCN([C@@H](C)CCC#N)CC1 ZINC000298596711 263222632 /nfs/dbraw/zinc/22/26/32/263222632.db2.gz SAYAKZGHPIBMDX-ZDUSSCGKSA-N 0 3 260.385 2.775 20 30 CFEDHN C[C@H](CCC#N)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000299164858 263232429 /nfs/dbraw/zinc/23/24/29/263232429.db2.gz XSPOBYFYYCTUNY-FMTVUPSXSA-N 0 3 264.394 2.767 20 30 CFEDHN C[C@@H](C#N)CN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000299233168 263235824 /nfs/dbraw/zinc/23/58/24/263235824.db2.gz FKKCZUHDHNSRCC-HNNXBMFYSA-N 0 3 299.418 2.517 20 30 CFEDHN C[C@@H](C#N)CN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000299285935 263237439 /nfs/dbraw/zinc/23/74/39/263237439.db2.gz FVTRAMZTJGYALG-AWEZNQCLSA-N 0 3 285.391 2.514 20 30 CFEDHN C#CCCCCC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000119749222 263275007 /nfs/dbraw/zinc/27/50/07/263275007.db2.gz MZSKDSXFSWIMGL-UHFFFAOYSA-N 0 3 290.407 2.672 20 30 CFEDHN C=C(C)CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000119640106 263275945 /nfs/dbraw/zinc/27/59/45/263275945.db2.gz HYVHYRIJVNXSDH-UHFFFAOYSA-N 0 3 266.348 2.624 20 30 CFEDHN C=CC[N@@H+](C)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000121261122 263293117 /nfs/dbraw/zinc/29/31/17/263293117.db2.gz KQSCEGADQLAJCV-UHFFFAOYSA-N 0 3 273.332 2.679 20 30 CFEDHN C=CC[N@H+](C)Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000121261122 263293120 /nfs/dbraw/zinc/29/31/20/263293120.db2.gz KQSCEGADQLAJCV-UHFFFAOYSA-N 0 3 273.332 2.679 20 30 CFEDHN C=CCN(C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000121261122 263293122 /nfs/dbraw/zinc/29/31/22/263293122.db2.gz KQSCEGADQLAJCV-UHFFFAOYSA-N 0 3 273.332 2.679 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000340853925 263309391 /nfs/dbraw/zinc/30/93/91/263309391.db2.gz UQSFAUCSSIDEKA-JJRVBVJISA-N 0 3 296.455 2.593 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000341427055 263337356 /nfs/dbraw/zinc/33/73/56/263337356.db2.gz FALZZQMSSPPHJO-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(OC)cc1OC ZINC000341880492 263362035 /nfs/dbraw/zinc/36/20/35/263362035.db2.gz PSNUGCYPIJBDLA-CHWSQXEVSA-N 0 3 279.380 2.539 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H]1CCCOc2ccc(OC)cc21 ZINC000341887221 263363465 /nfs/dbraw/zinc/36/34/65/263363465.db2.gz OIVLXIIBXDHAQZ-CJNGLKHVSA-N 0 3 291.391 2.683 20 30 CFEDHN COCC1(C#N)CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000341981038 263369639 /nfs/dbraw/zinc/36/96/39/263369639.db2.gz DPFRSXOACBIAMI-UHFFFAOYSA-N 0 3 284.403 2.927 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1ccccc1CNC ZINC000415922994 263650650 /nfs/dbraw/zinc/65/06/50/263650650.db2.gz OOJVAUGGCOEVSP-CYBMUJFWSA-N 0 3 261.369 2.882 20 30 CFEDHN C#Cc1ccc(NC(=O)N(CCC)[C@H]2CCN(C)C2)cc1 ZINC000934924932 649855354 /nfs/dbraw/zinc/85/53/54/649855354.db2.gz NKEWTCBNXWVCLI-INIZCTEOSA-N 0 3 285.391 2.616 20 30 CFEDHN C=CCCCN1CCN(c2ncnc3ccsc32)CC1 ZINC000124454500 263866491 /nfs/dbraw/zinc/86/64/91/263866491.db2.gz QTJSFUSUCJFVCQ-UHFFFAOYSA-N 0 3 288.420 2.780 20 30 CFEDHN CC(C)C[C@H](CN(C)C)NC(=O)c1cn2c(n1)CCCC2 ZINC000330430230 263938092 /nfs/dbraw/zinc/93/80/92/263938092.db2.gz VJFYRNKGIKTTJU-CYBMUJFWSA-N 0 3 292.427 2.500 20 30 CFEDHN COc1ccc(NC(=O)NCC2=CCN(C)CC2)c(C)c1 ZINC000330702531 264017968 /nfs/dbraw/zinc/01/79/68/264017968.db2.gz ZSDCIKBNBAPXJN-UHFFFAOYSA-N 0 3 289.379 2.591 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)c1cncnc1C(C)C ZINC000330704606 264018615 /nfs/dbraw/zinc/01/86/15/264018615.db2.gz QYSISQZVJSGXCA-ZDUSSCGKSA-N 0 3 290.411 2.779 20 30 CFEDHN CCOc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1O ZINC000425350304 264024962 /nfs/dbraw/zinc/02/49/62/264024962.db2.gz HMAFLTAAYYLAGV-WCQYABFASA-N 0 3 260.337 2.573 20 30 CFEDHN CCc1nc(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)co1 ZINC000330807913 264043351 /nfs/dbraw/zinc/04/33/51/264043351.db2.gz CUKNJAGAWTYRGF-JHJVBQTASA-N 0 3 293.411 2.908 20 30 CFEDHN CN(C(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000330906185 264073961 /nfs/dbraw/zinc/07/39/61/264073961.db2.gz DMMDIYFCIRRWBY-HNNXBMFYSA-N 0 3 281.359 2.642 20 30 CFEDHN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330914587 264076229 /nfs/dbraw/zinc/07/62/29/264076229.db2.gz SXTZBGWZPFWVCD-DGCLKSJQSA-N 0 3 291.351 2.691 20 30 CFEDHN CCN1CCC(NC(=O)c2oc(CC(C)C)nc2C)CC1 ZINC000331060544 264110183 /nfs/dbraw/zinc/11/01/83/264110183.db2.gz NNKZPJGISLESTH-UHFFFAOYSA-N 0 3 293.411 2.970 20 30 CFEDHN C=CCN(CC=C)CCCCN1C(=O)c2ccccc2C1=O ZINC000052868369 264121740 /nfs/dbraw/zinc/12/17/40/264121740.db2.gz YZLXXORCMFWYLV-UHFFFAOYSA-N 0 3 298.386 2.737 20 30 CFEDHN CCOc1nccc(C)c1C(=O)NCCN1CCCCC1 ZINC000331220189 264165878 /nfs/dbraw/zinc/16/58/78/264165878.db2.gz UBIOZRQJOMFYKA-UHFFFAOYSA-N 0 3 291.395 2.579 20 30 CFEDHN CCOCc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000331233641 264173864 /nfs/dbraw/zinc/17/38/64/264173864.db2.gz FWJNGAYPVQWBKO-UHFFFAOYSA-N 0 3 291.395 2.643 20 30 CFEDHN CCc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c([O-])c1 ZINC000331240326 264176263 /nfs/dbraw/zinc/17/62/63/264176263.db2.gz PNJHAYQSOQWQGY-CHWSQXEVSA-N 0 3 276.380 2.742 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072775494 264271639 /nfs/dbraw/zinc/27/16/39/264271639.db2.gz XJPNPPVXWBNGCP-LXZKKBNFSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000073766878 264299218 /nfs/dbraw/zinc/29/92/18/264299218.db2.gz BYZCWICJRUVQQL-KSSFIOAISA-N 0 3 299.418 2.950 20 30 CFEDHN CC(C)C[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000130354889 264349803 /nfs/dbraw/zinc/34/98/03/264349803.db2.gz FKDMDTJNJATNQN-HOCLYGCPSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000076911707 264350570 /nfs/dbraw/zinc/35/05/70/264350570.db2.gz WNLCOGDCDDRESB-HNNXBMFYSA-N 0 3 273.380 2.849 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000180098069 264390886 /nfs/dbraw/zinc/39/08/86/264390886.db2.gz ZOQWHGZLARLKRN-HOCLYGCPSA-N 0 3 258.365 2.514 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@H](C(=O)OC)[C@@H]2C)cc1 ZINC000347276472 265127289 /nfs/dbraw/zinc/12/72/89/265127289.db2.gz LDUQINUHLRDQDK-BBRMVZONSA-N 0 3 289.375 2.635 20 30 CFEDHN C[C@@H](CN1CCCCC1)NCc1cc(C#N)cs1 ZINC000093492321 265183842 /nfs/dbraw/zinc/18/38/42/265183842.db2.gz GYFJBVSTSAQGDC-LBPRGKRZSA-N 0 3 263.410 2.584 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000514654654 266029150 /nfs/dbraw/zinc/02/91/50/266029150.db2.gz DUCZHROTCRTDQL-OLZOCXBDSA-N 0 3 278.352 2.881 20 30 CFEDHN C=C[C@H](CC(=O)N(CCN(C)C)C1CC1)c1ccccc1 ZINC000356302179 266091788 /nfs/dbraw/zinc/09/17/88/266091788.db2.gz RBMXRVWEMPONAX-OAHLLOKOSA-N 0 3 286.419 2.899 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000357273436 266269500 /nfs/dbraw/zinc/26/95/00/266269500.db2.gz MXJACTRQMZSTEK-GZBFAFLISA-N 0 3 275.396 2.552 20 30 CFEDHN Cc1nn(Cc2ccccc2)c(C)c1CNCCCC#N ZINC000357328432 266276492 /nfs/dbraw/zinc/27/64/92/266276492.db2.gz ALZFENYSNBRJCH-UHFFFAOYSA-N 0 3 282.391 2.942 20 30 CFEDHN CC(C#N)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000357793915 266364236 /nfs/dbraw/zinc/36/42/36/266364236.db2.gz NEUZTMZHQHPMED-JTQLQIEISA-N 0 3 264.756 2.893 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000357802242 266366570 /nfs/dbraw/zinc/36/65/70/266366570.db2.gz OWJYWFCZKBMLSQ-SECBINFHSA-N 0 3 270.254 2.823 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000357808360 266369213 /nfs/dbraw/zinc/36/92/13/266369213.db2.gz URWFPNUHWPTSFO-DTWKUNHWSA-N 0 3 286.253 2.922 20 30 CFEDHN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000357809259 266369878 /nfs/dbraw/zinc/36/98/78/266369878.db2.gz VYWXWHYRHPOVBM-RISCZKNCSA-N 0 3 288.347 2.527 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000357815921 266371314 /nfs/dbraw/zinc/37/13/14/266371314.db2.gz FRPNJGVUCJVXMF-SFHVURJKSA-N 0 3 298.430 2.873 20 30 CFEDHN CC(C)[C@H](NC(=O)C(C)C#N)c1nc2ccccc2[nH]1 ZINC000357823791 266372147 /nfs/dbraw/zinc/37/21/47/266372147.db2.gz INXWFKFUSBYRKW-MFKMUULPSA-N 0 3 270.336 2.536 20 30 CFEDHN CC(C#N)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000357823794 266372422 /nfs/dbraw/zinc/37/24/22/266372422.db2.gz IOKCPNVHCWGZPS-NSHDSACASA-N 0 3 299.305 2.789 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(C)CCCCC2)CC1 ZINC000357963944 266390886 /nfs/dbraw/zinc/39/08/86/266390886.db2.gz VVGDXQRQCSFYJX-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](CC)c1ccc(C#N)cc1 ZINC000453376600 266831384 /nfs/dbraw/zinc/83/13/84/266831384.db2.gz XSLGOAXYFSLMMO-OAGGEKHMSA-N 0 3 256.349 2.942 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000362371299 266971550 /nfs/dbraw/zinc/97/15/50/266971550.db2.gz QJXXYXPAOVVPCH-HOCLYGCPSA-N 0 3 289.423 2.943 20 30 CFEDHN C=C[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000362611288 267021726 /nfs/dbraw/zinc/02/17/26/267021726.db2.gz BQBSZVIMAPSODM-LLVKDONJSA-N 0 3 272.348 2.799 20 30 CFEDHN N#CCCCN1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000362814338 267050352 /nfs/dbraw/zinc/05/03/52/267050352.db2.gz MQLKLSQORLMEJR-CQSZACIVSA-N 0 3 268.364 2.977 20 30 CFEDHN CC1CCC(N2CCN(CCCCC#N)CC2)CC1 ZINC000115566411 267099770 /nfs/dbraw/zinc/09/97/70/267099770.db2.gz JQWXEGNBWFSZIX-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccc(C)cc3)C2)C1=O ZINC000368534574 267181134 /nfs/dbraw/zinc/18/11/34/267181134.db2.gz NWCFHXJZHHBURE-DLBZAZTESA-N 0 3 284.403 2.571 20 30 CFEDHN C=C(C)CN1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1 ZINC000368858938 267208686 /nfs/dbraw/zinc/20/86/86/267208686.db2.gz KHYCXXQCMXDLHA-GFCCVEGCSA-N 0 3 279.409 2.678 20 30 CFEDHN CCCCCCCCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000369593895 267252305 /nfs/dbraw/zinc/25/23/05/267252305.db2.gz XCHJXQAYVUUXIC-IRXDYDNUSA-N 0 3 282.472 2.878 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370002921 267283099 /nfs/dbraw/zinc/28/30/99/267283099.db2.gz UWAUJBHFEZWPIW-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)C[C@@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000119228490 267312186 /nfs/dbraw/zinc/31/21/86/267312186.db2.gz GBXSBXUPYVTSHE-GJZGRUSLSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000371209108 267372206 /nfs/dbraw/zinc/37/22/06/267372206.db2.gz SCHWYAUEULAZGJ-IAGOWNOFSA-N 0 3 273.376 2.909 20 30 CFEDHN C#CCOc1ccccc1CN1CCCOC(C)(C)C1 ZINC000371331784 267392413 /nfs/dbraw/zinc/39/24/13/267392413.db2.gz KTIVLIJZDSYNBH-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CCC(CC=C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000375873038 267915759 /nfs/dbraw/zinc/91/57/59/267915759.db2.gz MLCAZKXOWBRCNG-GDBMZVCRSA-N 0 3 276.424 2.840 20 30 CFEDHN N#CCSCCCN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000376615502 268001621 /nfs/dbraw/zinc/00/16/21/268001621.db2.gz QDFLTWXOGHJMGW-HNNXBMFYSA-N 0 3 294.395 2.926 20 30 CFEDHN C[C@@H](Cn1cccn1)N[C@@H](CCC#N)c1ccccc1 ZINC000123162860 268003764 /nfs/dbraw/zinc/00/37/64/268003764.db2.gz SLAUZCAUQQALCY-HOCLYGCPSA-N 0 3 268.364 2.906 20 30 CFEDHN Cc1ccccc1[C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000123188818 268006001 /nfs/dbraw/zinc/00/60/01/268006001.db2.gz JDPWWOYZJKSHJC-RHSMWYFYSA-N 0 3 287.407 2.700 20 30 CFEDHN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCCCC(C)(C)C#N ZINC000376658302 268007013 /nfs/dbraw/zinc/00/70/13/268007013.db2.gz RDMBOMCAATXYFK-ILXRZTDVSA-N 0 3 292.423 2.980 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000376876476 268026624 /nfs/dbraw/zinc/02/66/24/268026624.db2.gz WGPVTTFRBKJUCX-SJLPKXTDSA-N 0 3 299.418 2.707 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000376876478 268026631 /nfs/dbraw/zinc/02/66/31/268026631.db2.gz WGPVTTFRBKJUCX-WMZOPIPTSA-N 0 3 299.418 2.707 20 30 CFEDHN CC#CCCCC(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000376881757 268027685 /nfs/dbraw/zinc/02/76/85/268027685.db2.gz JDQWFCPBMLYLMK-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN C#CCSCCN[C@H]1CCCOc2cc(OC)ccc21 ZINC000376896167 268028564 /nfs/dbraw/zinc/02/85/64/268028564.db2.gz YWXRYKGMZSEGJM-HNNXBMFYSA-N 0 3 291.416 2.865 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@H]1CCN1C1CCCC1 ZINC000528211698 268031449 /nfs/dbraw/zinc/03/14/49/268031449.db2.gz UINIOIRLUKSXFT-OAHLLOKOSA-N 0 3 270.380 2.691 20 30 CFEDHN C=C(CNC(=O)N1CC[C@H](N2CCCC2)C1)c1ccccc1 ZINC000376992831 268037596 /nfs/dbraw/zinc/03/75/96/268037596.db2.gz JUPYFKOSUIKUAO-KRWDZBQOSA-N 0 3 299.418 2.580 20 30 CFEDHN Cc1ccnc(NC[C@@H]2CCN2C2CCCC2)c1C#N ZINC000528207646 268064502 /nfs/dbraw/zinc/06/45/02/268064502.db2.gz HWKALNVHQACUTL-AWEZNQCLSA-N 0 3 270.380 2.691 20 30 CFEDHN COCc1ccccc1CNCc1cccc(C#N)c1 ZINC000037500104 270225678 /nfs/dbraw/zinc/22/56/78/270225678.db2.gz DQAZJYAPNAFIFJ-UHFFFAOYSA-N 0 3 266.344 2.994 20 30 CFEDHN C[C@@H](C(=O)N(C)c1cccc(C#N)c1)N1CCCCCC1 ZINC000524037740 270458998 /nfs/dbraw/zinc/45/89/98/270458998.db2.gz KFXJBKMPOYVMDP-AWEZNQCLSA-N 0 3 285.391 2.786 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCN2C2CCCC2)c1 ZINC000527805306 270534546 /nfs/dbraw/zinc/53/45/46/270534546.db2.gz GULQORWZFUZHOS-AWEZNQCLSA-N 0 3 275.421 2.726 20 30 CFEDHN C#CCN1CCC(n2c3ccccc3nc2CC)CC1 ZINC000093300054 273478989 /nfs/dbraw/zinc/47/89/89/273478989.db2.gz ICAGEZWROYIKPM-UHFFFAOYSA-N 0 3 267.376 2.869 20 30 CFEDHN CC(C)[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000416339120 273551908 /nfs/dbraw/zinc/55/19/08/273551908.db2.gz GEJVXWYGCHUSTE-DLBZAZTESA-N 0 3 299.418 2.638 20 30 CFEDHN C[C@@H]1CC[C@H](CN2CCCN(c3ccc(C#N)cc3)CC2)O1 ZINC000365072154 274316816 /nfs/dbraw/zinc/31/68/16/274316816.db2.gz OPSNHFZBLQAGFR-CRAIPNDOSA-N 0 3 299.418 2.638 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2C[C@H](N3CCCC3)C[C@@H]2C)n1 ZINC000286183102 274683419 /nfs/dbraw/zinc/68/34/19/274683419.db2.gz AQJHUBUMDCFUCM-LSDHHAIUSA-N 0 3 284.407 2.633 20 30 CFEDHN Cc1cnn(C)c1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334954042 274829497 /nfs/dbraw/zinc/82/94/97/274829497.db2.gz WTOOUJHESGTYJP-MRXNPFEDSA-N 0 3 280.375 2.767 20 30 CFEDHN C#CCCCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000277514313 275379169 /nfs/dbraw/zinc/37/91/69/275379169.db2.gz QUALFOMTDISFEV-YOEHRIQHSA-N 0 3 272.392 2.598 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1 ZINC000289578079 275388136 /nfs/dbraw/zinc/38/81/36/275388136.db2.gz HRZUZIPCFQLHIE-INIZCTEOSA-N 0 3 265.360 2.569 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cccc(C#N)c1C ZINC000357131020 275951766 /nfs/dbraw/zinc/95/17/66/275951766.db2.gz UNKWGFNXEKKJGS-LBPRGKRZSA-N 0 3 273.380 2.972 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450332772 276158083 /nfs/dbraw/zinc/15/80/83/276158083.db2.gz DZQPVKVOQNAVMU-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN CCOCCO[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000157727348 276327175 /nfs/dbraw/zinc/32/71/75/276327175.db2.gz KQADNRHWNJUFPT-YOEHRIQHSA-N 0 3 288.391 2.747 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3cccc(F)c3C#N)C2)C1 ZINC000292647110 277072946 /nfs/dbraw/zinc/07/29/46/277072946.db2.gz BJIORQPOOHIKOE-MRXNPFEDSA-N 0 3 273.355 2.619 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H](CC)N(CC)CC ZINC000352488132 277822257 /nfs/dbraw/zinc/82/22/57/277822257.db2.gz MQWKAELVQCHCMI-ZDUSSCGKSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CCCCCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000274538947 277828333 /nfs/dbraw/zinc/82/83/33/277828333.db2.gz SWZMGVIBGNMILQ-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cncs1)C(C)C ZINC000264940259 277852663 /nfs/dbraw/zinc/85/26/63/277852663.db2.gz VPSVLOKWOZZHAD-CYBMUJFWSA-N 0 3 293.436 2.572 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N1CCCC12CCN(C)CC2 ZINC000366991979 277880092 /nfs/dbraw/zinc/88/00/92/277880092.db2.gz VNOYAAXAJAFXSY-CQSZACIVSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CC[C@H](C)[C@H](C)N[C@@H](c1nncn1C)C(C)C ZINC000289683030 277886297 /nfs/dbraw/zinc/88/62/97/277886297.db2.gz ZTDWHPWQHMCNKC-RWMBFGLXSA-N 0 3 250.390 2.703 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000352445025 277915692 /nfs/dbraw/zinc/91/56/92/277915692.db2.gz JGEQHWNHZANVOJ-OFQRWUPVSA-N 0 3 266.429 2.968 20 30 CFEDHN CC(=O)N[C@@H](C)C1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000331142692 278130179 /nfs/dbraw/zinc/13/01/79/278130179.db2.gz UXUMDNWTGHRJAG-KBPBESRZSA-N 0 3 299.418 2.856 20 30 CFEDHN CS[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1N(C)C ZINC000297467388 278157237 /nfs/dbraw/zinc/15/72/37/278157237.db2.gz KPEZVLUBFMBBSN-ZIAGYGMSSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000352539787 278796065 /nfs/dbraw/zinc/79/60/65/278796065.db2.gz CROHQRUGQCKUNN-CPUCHLNUSA-N 0 3 297.402 2.641 20 30 CFEDHN 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/nfs/dbraw/zinc/03/49/09/325034909.db2.gz QSNBBYFBUQOATH-OAHLLOKOSA-N 0 3 297.406 2.859 20 30 CFEDHN CC[C@@H](C)[C@H](C)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582726950 325229310 /nfs/dbraw/zinc/22/93/10/325229310.db2.gz UUSOEQHFOJUBNQ-OLZOCXBDSA-N 0 3 297.406 3.000 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000184366103 328529903 /nfs/dbraw/zinc/52/99/03/328529903.db2.gz YFQAUOXZTCUAID-NEPJUHHUSA-N 0 3 286.400 2.690 20 30 CFEDHN C[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583755884 325308688 /nfs/dbraw/zinc/30/86/88/325308688.db2.gz HJACHQKZOFNKDI-GXFFZTMASA-N 0 3 259.309 2.745 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000583875327 325316345 /nfs/dbraw/zinc/31/63/45/325316345.db2.gz DSQGAVSFKLHZBA-ABAIWWIYSA-N 0 3 264.344 2.584 20 30 CFEDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000583875328 325316350 /nfs/dbraw/zinc/31/63/50/325316350.db2.gz DSQGAVSFKLHZBA-IAQYHMDHSA-N 0 3 264.344 2.584 20 30 CFEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCC1 ZINC000583997820 325324253 /nfs/dbraw/zinc/32/42/53/325324253.db2.gz VIZDMBRXGOIGNP-UHFFFAOYSA-N 0 3 259.309 2.698 20 30 CFEDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(OCC#N)cc1 ZINC000037319762 326845068 /nfs/dbraw/zinc/84/50/68/326845068.db2.gz IYBNUCGWDRATPW-UONOGXRCSA-N 0 3 284.363 2.525 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)CN1CC[C@H](C)C1 ZINC000557565100 327013832 /nfs/dbraw/zinc/01/38/32/327013832.db2.gz UDKFNXFGQQAJMI-AWEZNQCLSA-N 0 3 290.382 2.682 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000090883761 327101586 /nfs/dbraw/zinc/10/15/86/327101586.db2.gz QTBJOJZDKHGIGR-CQSZACIVSA-N 0 3 262.397 2.996 20 30 CFEDHN Cc1nc(C[C@H]2CCCN(CCC(C)(C)C#N)C2)no1 ZINC000363468197 327102065 /nfs/dbraw/zinc/10/20/65/327102065.db2.gz KWRDXXXJAWRRDD-CYBMUJFWSA-N 0 3 276.384 2.572 20 30 CFEDHN COc1cccc(C[C@@H]2CCCN2CCOCCC#N)c1 ZINC000559049646 327139055 /nfs/dbraw/zinc/13/90/55/327139055.db2.gz RHHAOTWYCXXZOV-INIZCTEOSA-N 0 3 288.391 2.632 20 30 CFEDHN C=CCOCCN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000559109119 327141999 /nfs/dbraw/zinc/14/19/99/327141999.db2.gz HRVBKMLEKGDXNF-AWEZNQCLSA-N 0 3 283.412 2.633 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000426776452 327191238 /nfs/dbraw/zinc/19/12/38/327191238.db2.gz YOHLACXEMROSRX-WBTNSWJXSA-N 0 3 291.439 2.551 20 30 CFEDHN Cc1cc(C)cc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000112545365 327286742 /nfs/dbraw/zinc/28/67/42/327286742.db2.gz OHHMSFUUJXLNTE-LSDHHAIUSA-N 0 3 287.407 2.715 20 30 CFEDHN CCc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1CC ZINC000578536608 327343493 /nfs/dbraw/zinc/34/34/93/327343493.db2.gz JGIVIEDKMFELHY-HNNXBMFYSA-N 0 3 273.380 2.771 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)CC(C)(C)C#N ZINC000562270838 327461428 /nfs/dbraw/zinc/46/14/28/327461428.db2.gz OMSCLPKZGHAJPY-UHFFFAOYSA-N 0 3 259.353 2.627 20 30 CFEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CC2)cc1OC ZINC000562926957 327525881 /nfs/dbraw/zinc/52/58/81/327525881.db2.gz RSFBOCDWWYHRMU-GFCCVEGCSA-N 0 3 274.364 2.528 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OCCCCC)cc1 ZINC000352454816 328751400 /nfs/dbraw/zinc/75/14/00/328751400.db2.gz WBKVRYOLVHLQMR-HNNXBMFYSA-N 0 3 263.381 2.892 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000354594240 328858021 /nfs/dbraw/zinc/85/80/21/328858021.db2.gz FUMTUIAOJYHCPZ-LSDHHAIUSA-N 0 3 279.428 2.505 20 30 CFEDHN CC[C@@H](CNC[C@@H](C#N)CCC#N)CC(F)(F)F ZINC000583683549 328901175 /nfs/dbraw/zinc/90/11/75/328901175.db2.gz LOLQYJXJQYLHBS-GHMZBOCLSA-N 0 3 261.291 2.998 20 30 CFEDHN C#C[C@@H](C)NCc1cn(C)nc1-c1ccccc1Cl ZINC000377407406 329014367 /nfs/dbraw/zinc/01/43/67/329014367.db2.gz AJCMTFLQJMWEOJ-LLVKDONJSA-N 0 3 273.767 2.852 20 30 CFEDHN C#C[C@H](C)NCc1cn(C)nc1-c1ccccc1Cl ZINC000377407407 329014312 /nfs/dbraw/zinc/01/43/12/329014312.db2.gz AJCMTFLQJMWEOJ-NSHDSACASA-N 0 3 273.767 2.852 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)cc1 ZINC000377707381 329026362 /nfs/dbraw/zinc/02/63/62/329026362.db2.gz WSZNEGBTIXYWRB-RBUKOAKNSA-N 0 3 296.414 2.643 20 30 CFEDHN CC(C)(C)N1CC[C@](F)(C(=O)NCC(C)(C)CCC#N)C1 ZINC000378023645 329037283 /nfs/dbraw/zinc/03/72/83/329037283.db2.gz CVUNQZWNJJPNOU-MRXNPFEDSA-N 0 3 297.418 2.645 20 30 CFEDHN N#CCCN(C(=O)CN1CC[C@@H](C2CC2)C1)c1ccccc1 ZINC000378320084 329045829 /nfs/dbraw/zinc/04/58/29/329045829.db2.gz OVRSMVMZVRNSEC-MRXNPFEDSA-N 0 3 297.402 2.665 20 30 CFEDHN C=CCC[C@@H](O)CN1CC(Cc2ccccc2F)C1 ZINC000378325440 329046075 /nfs/dbraw/zinc/04/60/75/329046075.db2.gz FRYSWJXIHBJTQA-OAHLLOKOSA-N 0 3 263.356 2.627 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CCC)C2CC2)CC1 ZINC000171607054 329077957 /nfs/dbraw/zinc/07/79/57/329077957.db2.gz ZCBUWZRBBKXVKM-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCC(C)(C)C)CC1 ZINC000171716055 329078973 /nfs/dbraw/zinc/07/89/73/329078973.db2.gz GDIIEJIONBVAPK-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@H]2C)CC1 ZINC000171725162 329079335 /nfs/dbraw/zinc/07/93/35/329079335.db2.gz RXGRJRDRTGQYQW-CABCVRRESA-N 0 3 293.455 2.762 20 30 CFEDHN C[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H]1C ZINC000172864854 329139460 /nfs/dbraw/zinc/13/94/60/329139460.db2.gz YPDGEUCECMDQMI-HUUCEWRRSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC12CC2)C(C)C ZINC000425597946 329161967 /nfs/dbraw/zinc/16/19/67/329161967.db2.gz FIMPYGLKEXMVMC-CABCVRRESA-N 0 3 291.439 2.537 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H](C)C1CC1)C(C)C ZINC000175332371 329164951 /nfs/dbraw/zinc/16/49/51/329164951.db2.gz QQWLMOALBLFHHX-HOCLYGCPSA-N 0 3 278.440 2.847 20 30 CFEDHN C=CCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000178193936 329194213 /nfs/dbraw/zinc/19/42/13/329194213.db2.gz WAIQAIJBPRQABU-UHFFFAOYSA-N 0 3 264.413 2.820 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(C)ccc1OC ZINC000321021991 329214359 /nfs/dbraw/zinc/21/43/59/329214359.db2.gz OKQZNXFRLJETJM-KBPBESRZSA-N 0 3 263.381 2.981 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181342804 329231951 /nfs/dbraw/zinc/23/19/51/329231951.db2.gz UBXVWIMRKBFFMD-AWEZNQCLSA-N 0 3 286.379 2.511 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181677656 329235658 /nfs/dbraw/zinc/23/56/58/329235658.db2.gz UYXSBEODDMOALV-OAHLLOKOSA-N 0 3 289.423 2.724 20 30 CFEDHN C=CCC[C@H](CO)NCc1cccc(Cl)c1F ZINC000321065219 329249186 /nfs/dbraw/zinc/24/91/86/329249186.db2.gz YWBLTWUGRBNLFI-LLVKDONJSA-N 0 3 257.736 2.896 20 30 CFEDHN CC#CCCCC(=O)NCc1ccccc1CN(C)C ZINC000184924765 329265696 /nfs/dbraw/zinc/26/56/96/329265696.db2.gz QWUUMBRTGOFETA-UHFFFAOYSA-N 0 3 272.392 2.558 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000321144166 329266400 /nfs/dbraw/zinc/26/64/00/329266400.db2.gz ULMCDAUWYOUDSF-DZGCQCFKSA-N 0 3 278.352 2.963 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000185296776 329270422 /nfs/dbraw/zinc/27/04/22/329270422.db2.gz WOLWMICTRXFROH-HUUCEWRRSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000582913541 329287921 /nfs/dbraw/zinc/28/79/21/329287921.db2.gz LZUITMPBJNTYHX-CQSZACIVSA-N 0 3 279.428 2.682 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508895391 332852190 /nfs/dbraw/zinc/85/21/90/332852190.db2.gz HGUDMWBNRJYVHY-ZBFHGGJFSA-N 0 3 289.423 2.895 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2N2CCOCC2)C1 ZINC000185799617 329331996 /nfs/dbraw/zinc/33/19/96/329331996.db2.gz GUXVOJJACXTZCP-DOTOQJQBSA-N 0 3 299.418 2.695 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1sc(C)nc1C ZINC000321278398 329340076 /nfs/dbraw/zinc/34/00/76/329340076.db2.gz FUWMMFMCZVLUSR-JQWIXIFHSA-N 0 3 254.399 2.738 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)CC)CC1 ZINC000191367132 329413316 /nfs/dbraw/zinc/41/33/16/329413316.db2.gz KBAMMYZDAHPUCO-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CC#CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000135438311 329666816 /nfs/dbraw/zinc/66/68/16/329666816.db2.gz IEPIEDQHXBEISL-HNNXBMFYSA-N 0 3 299.418 2.535 20 30 CFEDHN C=C(C)CCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000419221053 329712280 /nfs/dbraw/zinc/71/22/80/329712280.db2.gz BWWKSKOPLQBBMF-HNNXBMFYSA-N 0 3 258.365 2.562 20 30 CFEDHN N#CCCCCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000066877451 329850107 /nfs/dbraw/zinc/85/01/07/329850107.db2.gz MCHDOUWNFQNIMW-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN CN(C[C@@H]1CCCN1C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000421709698 330069091 /nfs/dbraw/zinc/06/90/91/330069091.db2.gz GLUBPZPEUMCDHG-IRXDYDNUSA-N 0 3 299.418 2.627 20 30 CFEDHN O=C(NCC#Cc1ccccc1)[C@@H]1CCCN1C1CCCC1 ZINC000269668304 330070238 /nfs/dbraw/zinc/07/02/38/330070238.db2.gz ZMSNWQOPPCEANQ-SFHVURJKSA-N 0 3 296.414 2.561 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC12CC2)C(C)C ZINC000421772909 330074997 /nfs/dbraw/zinc/07/49/97/330074997.db2.gz OVOUPDBFMBBPSJ-LSDHHAIUSA-N 0 3 276.424 2.601 20 30 CFEDHN C#CC[C@@H](NC[C@@H]1CC(C(=O)OC)=C(C)O1)c1ccccc1 ZINC000272456123 330086856 /nfs/dbraw/zinc/08/68/56/330086856.db2.gz CVRKQZSINVSIMZ-DOTOQJQBSA-N 0 3 299.370 2.577 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccncc1Cl ZINC000421855642 330089071 /nfs/dbraw/zinc/08/90/71/330089071.db2.gz MVKSIPFXYKTTTP-GHMZBOCLSA-N 0 3 254.761 2.713 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccncc1Cl ZINC000421833251 330091120 /nfs/dbraw/zinc/09/11/20/330091120.db2.gz INXJVBDRFFHCHS-MNOVXSKESA-N 0 3 254.761 2.570 20 30 CFEDHN C=CCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000080564558 330140925 /nfs/dbraw/zinc/14/09/25/330140925.db2.gz NBTYVSMWEJUUJK-TZMCWYRMSA-N 0 3 293.436 2.616 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1CCCC1 ZINC000433130099 330149895 /nfs/dbraw/zinc/14/98/95/330149895.db2.gz QPFUAGQEVXYRKM-CQSZACIVSA-N 0 3 256.349 2.818 20 30 CFEDHN CC[C@@H](C)Oc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424086951 330223809 /nfs/dbraw/zinc/22/38/09/330223809.db2.gz CQACCIOZORHLAU-DOMZBBRYSA-N 0 3 289.379 2.824 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1 ZINC000424089033 330224361 /nfs/dbraw/zinc/22/43/61/330224361.db2.gz KLROCNVZZOZFAV-JKSUJKDBSA-N 0 3 285.391 2.680 20 30 CFEDHN CC(C)N(Cc1cccc(F)c1)C(=O)[C@@H](N)CCCC#N ZINC000424093770 330226429 /nfs/dbraw/zinc/22/64/29/330226429.db2.gz SUNAVKBWRCIALO-HNNXBMFYSA-N 0 3 291.370 2.584 20 30 CFEDHN CC(C)[C@H](CNC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424096775 330227834 /nfs/dbraw/zinc/22/78/34/330227834.db2.gz PVNQDRYOYNLEJL-JKSUJKDBSA-N 0 3 287.407 2.564 20 30 CFEDHN CC(C)C[C@@H](NC(=O)[C@@H](N)CCCC#N)c1cccs1 ZINC000424103037 330233569 /nfs/dbraw/zinc/23/35/69/330233569.db2.gz PRKOYKFRBOMGMJ-QWHCGFSZSA-N 0 3 293.436 2.973 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424105226 330234112 /nfs/dbraw/zinc/23/41/12/330234112.db2.gz QGQROWUFNIMQNL-APIJFGDWSA-N 0 3 279.428 2.585 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000424108285 330234774 /nfs/dbraw/zinc/23/47/74/330234774.db2.gz QHPHFZQHZKREEP-IKGGRYGDSA-N 0 3 299.418 2.850 20 30 CFEDHN CC(C)(C)Oc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424107676 330234887 /nfs/dbraw/zinc/23/48/87/330234887.db2.gz OMOOMVVDLDAUMY-CQSZACIVSA-N 0 3 289.379 2.824 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000424111043 330239261 /nfs/dbraw/zinc/23/92/61/330239261.db2.gz FKWIJKMZEQJRNH-DLBZAZTESA-N 0 3 299.418 2.804 20 30 CFEDHN CC1(C)CC[C@H](NC(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424111066 330239324 /nfs/dbraw/zinc/23/93/24/330239324.db2.gz GBFPYZJCHLJTPB-CVEARBPZSA-N 0 3 299.418 2.936 20 30 CFEDHN COc1ccc([C@H](C)[C@H](C)NC[C@H](C)C#N)cc1OC ZINC000527235417 330239751 /nfs/dbraw/zinc/23/97/51/330239751.db2.gz HAUBSOFJXRNIMH-UPJWGTAASA-N 0 3 276.380 2.945 20 30 CFEDHN Cc1cccc(C2(NC(=O)[C@H](N)CCCC#N)CCCC2)c1 ZINC000424111344 330239754 /nfs/dbraw/zinc/23/97/54/330239754.db2.gz GEFLBZMUNMIRDK-MRXNPFEDSA-N 0 3 299.418 2.902 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NCCCCCc1ccccc1 ZINC000424114998 330243186 /nfs/dbraw/zinc/24/31/86/330243186.db2.gz SVKGFBSOCWMBEW-MRXNPFEDSA-N 0 3 287.407 2.537 20 30 CFEDHN CC(C)n1ncc2ccc(NC(=O)[C@H](N)CCCC#N)cc21 ZINC000424117290 330243654 /nfs/dbraw/zinc/24/36/54/330243654.db2.gz YOEYLIVMNBTLQU-CQSZACIVSA-N 0 3 299.378 2.577 20 30 CFEDHN CSCc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424117494 330243760 /nfs/dbraw/zinc/24/37/60/330243760.db2.gz ZAELUHVKDCZIPY-CYBMUJFWSA-N 0 3 277.393 2.509 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000424125499 330258654 /nfs/dbraw/zinc/25/86/54/330258654.db2.gz NXNPJCNPXJBUQV-HNNXBMFYSA-N 0 3 297.402 2.866 20 30 CFEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1OC(F)F ZINC000424129561 330260197 /nfs/dbraw/zinc/26/01/97/330260197.db2.gz SEIXLJZSNFHAIR-LLVKDONJSA-N 0 3 297.305 2.556 20 30 CFEDHN CC(C)c1ncc2c(n1)CCN(CCCCC#N)C2 ZINC000527621097 330266112 /nfs/dbraw/zinc/26/61/12/330266112.db2.gz BDXBYODQDGAQQQ-UHFFFAOYSA-N 0 3 258.369 2.652 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000424135545 330270315 /nfs/dbraw/zinc/27/03/15/330270315.db2.gz ZDTIFWRCFMPMFG-NTZNESFSSA-N 0 3 259.309 2.938 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000527692142 330279348 /nfs/dbraw/zinc/27/93/48/330279348.db2.gz QHFGSSQEYMLTEO-GFCCVEGCSA-N 0 3 289.297 2.741 20 30 CFEDHN CC(C)CC[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000424140500 330280804 /nfs/dbraw/zinc/28/08/04/330280804.db2.gz SJXOULCHXWXSSL-HUUCEWRRSA-N 0 3 279.428 2.825 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000527890795 330292322 /nfs/dbraw/zinc/29/23/22/330292322.db2.gz SKNBMZBRDNQOPV-YGRLFVJLSA-N 0 3 269.747 2.993 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CC23CC3)cc1OC ZINC000424188162 330321965 /nfs/dbraw/zinc/32/19/65/330321965.db2.gz XDTIYRDELHGWNK-HNNXBMFYSA-N 0 3 259.349 2.902 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Cc2cccc(C)c2)CC1 ZINC000106035224 330331224 /nfs/dbraw/zinc/33/12/24/330331224.db2.gz ACFKSKFMUSTQDI-UHFFFAOYSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H](C3CC3)C2)nn1 ZINC000424289799 330334418 /nfs/dbraw/zinc/33/44/18/330334418.db2.gz AIUICUYFCAFBNZ-UONOGXRCSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCc2ccc(F)cc2)nn1 ZINC000424291824 330334977 /nfs/dbraw/zinc/33/49/77/330334977.db2.gz FPSKHVUASFQIIR-CYBMUJFWSA-N 0 3 288.370 2.714 20 30 CFEDHN C=CCn1cc(CN[C@@H](CCC)Cc2ccccc2)nn1 ZINC000424293224 330335369 /nfs/dbraw/zinc/33/53/69/330335369.db2.gz IFKWZQFBMCLORG-INIZCTEOSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCCC(F)(F)F)nn1 ZINC000424294952 330335935 /nfs/dbraw/zinc/33/59/35/330335935.db2.gz MAAJQBQYUCTECD-SNVBAGLBSA-N 0 3 276.306 2.675 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCC[C@@H]2C(C)C)nn1 ZINC000424295726 330335961 /nfs/dbraw/zinc/33/59/61/330335961.db2.gz NENYJTFHYDRQAG-HUUCEWRRSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C)C2CCC(F)(F)CC2)nn1 ZINC000424296489 330336162 /nfs/dbraw/zinc/33/61/62/330336162.db2.gz OSNFKFHOQVUPRQ-LLVKDONJSA-N 0 3 284.354 2.768 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@H](C)CC[C@H]2CC)nn1 ZINC000424297101 330336272 /nfs/dbraw/zinc/33/62/72/330336272.db2.gz PWPUJNCUGKRBAZ-UMVBOHGHSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](CCC)C2CCCC2)nn1 ZINC000424299597 330336876 /nfs/dbraw/zinc/33/68/76/330336876.db2.gz VRNLLSAOSURBLS-HNNXBMFYSA-N 0 3 262.401 2.913 20 30 CFEDHN COc1cccc2c1CC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424316214 330339391 /nfs/dbraw/zinc/33/93/91/330339391.db2.gz ATZHBFJMZXGEHR-YWPYICTPSA-N 0 3 256.349 2.964 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@H](c2cncc(F)c2)C2CC2)C1 ZINC000424333554 330342957 /nfs/dbraw/zinc/34/29/57/330342957.db2.gz UMWKDBPICODJOQ-VQISRLSMSA-N 0 3 259.328 2.954 20 30 CFEDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424334437 330343157 /nfs/dbraw/zinc/34/31/57/330343157.db2.gz VNPJWHKPFNUNLV-PVXIVEMSSA-N 0 3 271.364 2.988 20 30 CFEDHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424336697 330343502 /nfs/dbraw/zinc/34/35/02/330343502.db2.gz YKCVOHAPHMLCCB-DETPVDSQSA-N 0 3 271.364 2.988 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1cc(C)cc(CN)c1 ZINC000424419940 330350733 /nfs/dbraw/zinc/35/07/33/330350733.db2.gz UCYOZSYQMBIMRV-UHFFFAOYSA-N 0 3 261.369 2.787 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC1CC1)C(C)C ZINC000533358432 330359412 /nfs/dbraw/zinc/35/94/12/330359412.db2.gz MLPIFHXVISXIQJ-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[C@@H](C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088523969 330377325 /nfs/dbraw/zinc/37/73/25/330377325.db2.gz YUMGPMOWSJIDPL-NVXWUHKLSA-N 0 3 271.408 2.915 20 30 CFEDHN CC[C@H](C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088523968 330377365 /nfs/dbraw/zinc/37/73/65/330377365.db2.gz YUMGPMOWSJIDPL-RDJZCZTQSA-N 0 3 271.408 2.915 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000424582076 330387558 /nfs/dbraw/zinc/38/75/58/330387558.db2.gz HLWKCVNGIDQYND-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCNC(=O)CN(CC)[C@H](CC)Cc1ccccc1 ZINC000120475368 330388382 /nfs/dbraw/zinc/38/83/82/330388382.db2.gz XRZAQBNQOPUCEQ-MRXNPFEDSA-N 0 3 274.408 2.632 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000121300038 330399421 /nfs/dbraw/zinc/39/94/21/330399421.db2.gz CSUHEDQYGOSNND-LLVKDONJSA-N 0 3 290.190 2.851 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C(=C)C)CC1 ZINC000424654561 330442333 /nfs/dbraw/zinc/44/23/33/330442333.db2.gz UUOKVQSSJPMXCW-UHFFFAOYSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCOc1ccc(CN[C@H](COC)[C@@H]2CCCO2)cc1 ZINC000433183737 330619169 /nfs/dbraw/zinc/61/91/69/330619169.db2.gz VLVRJRKTQOHZRA-SJORKVTESA-N 0 3 291.391 2.535 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(Cl)s1 ZINC000435731820 330661126 /nfs/dbraw/zinc/66/11/26/330661126.db2.gz NDPXHNHJXCDVOU-CABZTGNLSA-N 0 3 272.801 2.867 20 30 CFEDHN C[C@@H](Cn1cccn1)NCC#Cc1ccccc1Cl ZINC000441164141 330761397 /nfs/dbraw/zinc/76/13/97/330761397.db2.gz DVNJNFPOOQVAQR-ZDUSSCGKSA-N 0 3 273.767 2.566 20 30 CFEDHN C=CCCCN(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000157117564 330764167 /nfs/dbraw/zinc/76/41/67/330764167.db2.gz JFVSBZUWTZTPBA-ZFWWWQNUSA-N 0 3 260.381 2.747 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(CN3CCCC3=O)cc2)C1 ZINC000442713425 330780493 /nfs/dbraw/zinc/78/04/93/330780493.db2.gz WPMHJZFBWKFNET-DLBZAZTESA-N 0 3 297.402 2.591 20 30 CFEDHN CO[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000442855830 330787386 /nfs/dbraw/zinc/78/73/86/330787386.db2.gz KSGBZFZWVDRIIO-KCPJHIHWSA-N 0 3 262.328 2.795 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCC2(C#N)CCC2)C1 ZINC000450561964 330797671 /nfs/dbraw/zinc/79/76/71/330797671.db2.gz GMKMSZZLVCMNAI-XJKSGUPXSA-N 0 3 264.413 2.847 20 30 CFEDHN CC(C)C(=O)NC1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444583290 330814297 /nfs/dbraw/zinc/81/42/97/330814297.db2.gz NDKYCGBZXORCPC-UHFFFAOYSA-N 0 3 293.455 2.943 20 30 CFEDHN C=C(CC)CN[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000444615174 330815395 /nfs/dbraw/zinc/81/53/95/330815395.db2.gz ZOSAEVWFDCOFML-GFCCVEGCSA-N 0 3 282.409 2.675 20 30 CFEDHN CN(C)C(=O)C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000447539121 330868954 /nfs/dbraw/zinc/86/89/54/330868954.db2.gz FROPLDARJDJIEP-XIRDDKMYSA-N 0 3 299.418 2.878 20 30 CFEDHN C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449712583 330945543 /nfs/dbraw/zinc/94/55/43/330945543.db2.gz SMSQZQFTQWJNIQ-RYUDHWBXSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@@H](N(C)C)C2)CCCC1 ZINC000449835978 330951718 /nfs/dbraw/zinc/95/17/18/330951718.db2.gz RVSDIVVQQAVWON-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN CCOC(=O)[C@]1(C(C)C)CCN(CC2(C#N)CCC2)C1 ZINC000450863355 331003560 /nfs/dbraw/zinc/00/35/60/331003560.db2.gz AREJXHVWDFAJKC-MRXNPFEDSA-N 0 3 278.396 2.591 20 30 CFEDHN CN(Cc1cccnc1)C[C@@H]1CCN(CC2(C#N)CCC2)C1 ZINC000450877921 331004243 /nfs/dbraw/zinc/00/42/43/331004243.db2.gz RJOGTPUMXXYDAI-KRWDZBQOSA-N 0 3 298.434 2.529 20 30 CFEDHN CC(C)C[C@@]1(C)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000451289092 331023292 /nfs/dbraw/zinc/02/32/92/331023292.db2.gz IXJJEJFCRFUVPX-SJORKVTESA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCOCCCN(C)Cc1ncc(C)c(OC)c1C ZINC000451380464 331026391 /nfs/dbraw/zinc/02/63/91/331026391.db2.gz XUGBCYXVOFAQJU-UHFFFAOYSA-N 0 3 278.396 2.732 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000451476733 331031007 /nfs/dbraw/zinc/03/10/07/331031007.db2.gz GPKVJNBVNAGLSI-BBWFWOEESA-N 0 3 269.388 2.831 20 30 CFEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC#Cc1ccccc1 ZINC000451603011 331036101 /nfs/dbraw/zinc/03/61/01/331036101.db2.gz YHUPWTFPZDAEJZ-SJORKVTESA-N 0 3 285.387 2.750 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000451608904 331036604 /nfs/dbraw/zinc/03/66/04/331036604.db2.gz USFDGMLYSNTQOZ-BMFZPTHFSA-N 0 3 288.391 2.564 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000451609368 331036698 /nfs/dbraw/zinc/03/66/98/331036698.db2.gz VXSFYNAAPRNFGV-GDLCADMTSA-N 0 3 294.782 2.600 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC[C@H](OC)c1ccc(Cl)cc1 ZINC000451610590 331036844 /nfs/dbraw/zinc/03/68/44/331036844.db2.gz GSOGJSOGDQHRKW-ILXRZTDVSA-N 0 3 281.783 2.961 20 30 CFEDHN OC[C@@H]([C@@H](NCC#Cc1ccc(F)cc1)C1CC1)C1CC1 ZINC000451610472 331036905 /nfs/dbraw/zinc/03/69/05/331036905.db2.gz OJNVPGZQBBVPAY-MSOLQXFVSA-N 0 3 287.378 2.564 20 30 CFEDHN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccc(F)cc3)CC[C@H]2C1 ZINC000451701486 331039647 /nfs/dbraw/zinc/03/96/47/331039647.db2.gz QNOMXSQOHVOXMA-LZLYRXPVSA-N 0 3 287.378 2.660 20 30 CFEDHN C=CCOCCCN1CCOCC12CCCCC2 ZINC000451817993 331043456 /nfs/dbraw/zinc/04/34/56/331043456.db2.gz VMMLSKXNMSZQMD-UHFFFAOYSA-N 0 3 253.386 2.614 20 30 CFEDHN CO[C@@H]1C[C@@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000451852605 331044810 /nfs/dbraw/zinc/04/48/10/331044810.db2.gz NWKJGNGDWKFNDU-CHWSQXEVSA-N 0 3 250.386 2.816 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)CC#Cc2ccccc2)C12CCC2 ZINC000451864667 331045325 /nfs/dbraw/zinc/04/53/25/331045325.db2.gz JNBXBTSGEACJPU-SJORKVTESA-N 0 3 269.388 2.928 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000451956797 331048330 /nfs/dbraw/zinc/04/83/30/331048330.db2.gz AMWNNYTXWDTKQX-LZWOXQAQSA-N 0 3 279.428 2.551 20 30 CFEDHN C=C(CC)CN1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452007042 331050249 /nfs/dbraw/zinc/05/02/49/331050249.db2.gz PPCKQFQTBXRTDX-HZPDHXFCSA-N 0 3 273.376 2.841 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CCCC[C@H]1OCC ZINC000452034482 331051215 /nfs/dbraw/zinc/05/12/15/331051215.db2.gz KXPYMHDAUAWPFB-ARFHVFGLSA-N 0 3 294.439 2.513 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452062645 331052548 /nfs/dbraw/zinc/05/25/48/331052548.db2.gz UERLZSKOBLFKMX-UKRRQHHQSA-N 0 3 295.448 2.869 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452067912 331052833 /nfs/dbraw/zinc/05/28/33/331052833.db2.gz AYGPYCFSIULSBM-KBPBESRZSA-N 0 3 279.428 2.505 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](CC(C)(C)C)C1 ZINC000452077320 331053142 /nfs/dbraw/zinc/05/31/42/331053142.db2.gz KEFSXJORTJFPPA-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](CC(C)(C)C)C1 ZINC000452085471 331053540 /nfs/dbraw/zinc/05/35/40/331053540.db2.gz WEKHYTTXBVHVCK-HUUCEWRRSA-N 0 3 293.455 2.753 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452170277 331057024 /nfs/dbraw/zinc/05/70/24/331057024.db2.gz IETHOBJSSDMSRH-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCC1(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000452178260 331057153 /nfs/dbraw/zinc/05/71/53/331057153.db2.gz YTBMRXXRHDLDTA-AWEZNQCLSA-N 0 3 276.424 2.676 20 30 CFEDHN CC1(F)CC(NC(=O)C(C#N)CCc2ccccc2)C1 ZINC000452700388 331072482 /nfs/dbraw/zinc/07/24/82/331072482.db2.gz GXDBKMDFSWCCST-HLIUYOAVSA-N 0 3 274.339 2.766 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000452777103 331076756 /nfs/dbraw/zinc/07/67/56/331076756.db2.gz UCHJFSCZUJHZQS-UPJWGTAASA-N 0 3 252.402 2.576 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453162372 331095812 /nfs/dbraw/zinc/09/58/12/331095812.db2.gz KFAYXOIUMVTVPP-GJZGRUSLSA-N 0 3 299.418 2.922 20 30 CFEDHN C=CCC[C@@H](NC[C@H]1CCCCN1CCO)c1ccco1 ZINC000453253257 331107954 /nfs/dbraw/zinc/10/79/54/331107954.db2.gz CUALMSYRMLCZDD-HZPDHXFCSA-N 0 3 292.423 2.723 20 30 CFEDHN C=CC(C)(C)CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453302715 331113446 /nfs/dbraw/zinc/11/34/46/331113446.db2.gz ALGQYDLASINLLA-CQSZACIVSA-N 0 3 274.343 2.835 20 30 CFEDHN C=C(C)CCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453322556 331116700 /nfs/dbraw/zinc/11/67/00/331116700.db2.gz RHPOCEZSMSBENC-CQSZACIVSA-N 0 3 260.316 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)[C@@H](OC)c1ccccc1 ZINC000453338038 331118826 /nfs/dbraw/zinc/11/88/26/331118826.db2.gz ARXJNSZXHPYWMQ-DRPJVOAASA-N 0 3 261.365 2.696 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000453357873 331122108 /nfs/dbraw/zinc/12/21/08/331122108.db2.gz MOJDYDUBGSCGAT-XYPHTWIQSA-N 0 3 283.375 2.866 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccccc1OCC(=O)OC ZINC000453362130 331122613 /nfs/dbraw/zinc/12/26/13/331122613.db2.gz NKXBKHOSBIYVSB-CYBMUJFWSA-N 0 3 277.364 2.855 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(Cl)cn1 ZINC000453361946 331122651 /nfs/dbraw/zinc/12/26/51/331122651.db2.gz QEXRNDKZVOOTTC-CMPLNLGQSA-N 0 3 254.761 2.713 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cnn(C(C)C)c1 ZINC000453365154 331123125 /nfs/dbraw/zinc/12/31/25/331123125.db2.gz RZXUPKACPPLWLG-YUELXQCFSA-N 0 3 263.385 2.848 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453376702 331124923 /nfs/dbraw/zinc/12/49/23/331124923.db2.gz XZTXCADXRPYVDV-XHSDSOJGSA-N 0 3 288.347 2.905 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000453380292 331125514 /nfs/dbraw/zinc/12/55/14/331125514.db2.gz WLNHRTQUDKEICO-LLVKDONJSA-N 0 3 260.337 2.634 20 30 CFEDHN C=CCOc1ccc(CNC[C@H]2CC[C@H](C)O2)cc1OC ZINC000453621990 331136985 /nfs/dbraw/zinc/13/69/85/331136985.db2.gz AIMWCJFUQPWTSZ-DZGCQCFKSA-N 0 3 291.391 2.917 20 30 CFEDHN C=C(CC)CNC(=O)NCc1cccc(CN(C)C)c1 ZINC000454247371 331142800 /nfs/dbraw/zinc/14/28/00/331142800.db2.gz NSRJCVZTTDTXCZ-UHFFFAOYSA-N 0 3 275.396 2.514 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000454256193 331143082 /nfs/dbraw/zinc/14/30/82/331143082.db2.gz IWVYWUKYYHLHJB-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC(C)(C)C2CCC2)CC1 ZINC000454535246 331148266 /nfs/dbraw/zinc/14/82/66/331148266.db2.gz FROZLDBWIWHRLL-UHFFFAOYSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCCC2(C)C)CC1 ZINC000454554884 331148759 /nfs/dbraw/zinc/14/87/59/331148759.db2.gz XNXNMLGUKUVYFT-CQSZACIVSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000454863089 331155238 /nfs/dbraw/zinc/15/52/38/331155238.db2.gz PXPIZZSBRKPWDY-AWEZNQCLSA-N 0 3 279.428 2.515 20 30 CFEDHN CC/C=C\CNC(=O)C(C#N)CCc1ccccc1 ZINC000456097174 331184203 /nfs/dbraw/zinc/18/42/03/331184203.db2.gz MPBBIMRLXFXBRO-FTWHOSCRSA-N 0 3 256.349 2.841 20 30 CFEDHN C=C(CC)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000456823147 331205843 /nfs/dbraw/zinc/20/58/43/331205843.db2.gz BBQHXRJMLAAAID-CQSZACIVSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCC1(C(=O)N(C)[C@H]2CCN(C(C)C)C2)CC1 ZINC000457083645 331211874 /nfs/dbraw/zinc/21/18/74/331211874.db2.gz FWYZZOKWRDUYKU-AWEZNQCLSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@]2(C)CCCC[C@@H]2C)CC1 ZINC000458333894 331249177 /nfs/dbraw/zinc/24/91/77/331249177.db2.gz LRNUOUALLMBYSM-WMLDXEAASA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCC1(NC(=O)NCCN(C)C2CC2)CCCCC1 ZINC000458371550 331250200 /nfs/dbraw/zinc/25/02/00/331250200.db2.gz AYPAXDLECVSKLE-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458630349 331254873 /nfs/dbraw/zinc/25/48/73/331254873.db2.gz ZRBVPKWHSJVPRG-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H](C)CN(C)C)CCCCC1 ZINC000458768623 331259540 /nfs/dbraw/zinc/25/95/40/331259540.db2.gz VMZBWEBIZBHMLL-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(C)CCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000459030534 331267293 /nfs/dbraw/zinc/26/72/93/331267293.db2.gz VHFKPZRDOUADQH-UHFFFAOYSA-N 0 3 293.411 2.627 20 30 CFEDHN CC#CCN(C)CCc1cccc(Br)c1 ZINC000463411713 331347241 /nfs/dbraw/zinc/34/72/41/331347241.db2.gz GFFVRPVMOWINCR-UHFFFAOYSA-N 0 3 266.182 2.947 20 30 CFEDHN C=CCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000172624264 332938828 /nfs/dbraw/zinc/93/88/28/332938828.db2.gz HTIOBNRWHIEPLN-HNNXBMFYSA-N 0 3 274.408 2.950 20 30 CFEDHN C=CCn1cccc1C(=O)NCc1ccccc1CN(C)C ZINC000488582441 332019104 /nfs/dbraw/zinc/01/91/04/332019104.db2.gz PBNUIMXUAGPBSV-UHFFFAOYSA-N 0 3 297.402 2.666 20 30 CFEDHN C=CCCC[C@H](C)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488749953 332024120 /nfs/dbraw/zinc/02/41/20/332024120.db2.gz SNLXSVZLQBKXKD-JKSUJKDBSA-N 0 3 293.455 2.809 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000489063724 332040061 /nfs/dbraw/zinc/04/00/61/332040061.db2.gz AZKYALAASZFBMG-HUUCEWRRSA-N 0 3 289.423 2.524 20 30 CFEDHN C=C[C@@H]1CCCCN1CCOc1cccc(C(=O)OC)c1 ZINC000489450294 332053563 /nfs/dbraw/zinc/05/35/63/332053563.db2.gz VTRGDXRQEIGPOD-OAHLLOKOSA-N 0 3 289.375 2.893 20 30 CFEDHN C#CCN(CC[C@H]1CCOC1)Cc1ccc(F)cc1 ZINC000490713764 332107477 /nfs/dbraw/zinc/10/74/77/332107477.db2.gz MFBKYZLMLFQAKC-HNNXBMFYSA-N 0 3 261.340 2.688 20 30 CFEDHN C#CCN(C(=O)c1cccc(CN(C)C)c1)C1CCCC1 ZINC000490819970 332117536 /nfs/dbraw/zinc/11/75/36/332117536.db2.gz LWUQIRBQMHBFMM-UHFFFAOYSA-N 0 3 284.403 2.766 20 30 CFEDHN C#CCN(Cc1cnc2n[nH]c(C)c2c1)C1CCCC1 ZINC000490900938 332127839 /nfs/dbraw/zinc/12/78/39/332127839.db2.gz YOZRSMRRXBSCIZ-UHFFFAOYSA-N 0 3 268.364 2.644 20 30 CFEDHN C=CCN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000490918188 332129184 /nfs/dbraw/zinc/12/91/84/332129184.db2.gz VSPFRZOFTUBBTB-CYBMUJFWSA-N 0 3 268.401 2.751 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000490986551 332136471 /nfs/dbraw/zinc/13/64/71/332136471.db2.gz UJXTXNXKVMDFHD-CJNGLKHVSA-N 0 3 280.412 2.587 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000491289088 332182563 /nfs/dbraw/zinc/18/25/63/332182563.db2.gz WOEMWOMSKYKSAL-WOSRLPQWSA-N 0 3 295.810 2.732 20 30 CFEDHN C#CCN(CC1(Br)CC1)C1CCCC1 ZINC000491461108 332215573 /nfs/dbraw/zinc/21/55/73/332215573.db2.gz CGCMCENDLSMDFT-UHFFFAOYSA-N 0 3 256.187 2.792 20 30 CFEDHN C#C[C@H](NCc1ccccc1C(=O)N(C)C)C(C)(C)C ZINC000491538246 332233026 /nfs/dbraw/zinc/23/30/26/332233026.db2.gz XRDKXKFQTNBXMZ-HNNXBMFYSA-N 0 3 272.392 2.526 20 30 CFEDHN C#C[C@@H](C)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000491617940 332244526 /nfs/dbraw/zinc/24/45/26/332244526.db2.gz BTAGZPKDRAWUHY-OAHLLOKOSA-N 0 3 284.403 2.766 20 30 CFEDHN C#C[C@H](C)N(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000491636384 332257147 /nfs/dbraw/zinc/25/71/47/332257147.db2.gz WAQPTVVLECIFCG-HNNXBMFYSA-N 0 3 284.403 2.766 20 30 CFEDHN C#C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000491668025 332276111 /nfs/dbraw/zinc/27/61/11/332276111.db2.gz LWLLDIDQRCTEMT-NOLJZWGESA-N 0 3 261.340 2.905 20 30 CFEDHN C#C[C@@H](C)N(C)CCCc1nc(-c2ccccc2)no1 ZINC000491697033 332292269 /nfs/dbraw/zinc/29/22/69/332292269.db2.gz GELHETWWKWNLLL-CYBMUJFWSA-N 0 3 269.348 2.623 20 30 CFEDHN C#CCN1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491715365 332305423 /nfs/dbraw/zinc/30/54/23/332305423.db2.gz PLAMYWOKZWMNIQ-LSDHHAIUSA-N 0 3 292.423 2.731 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(-c2cnn(C)c2)s1 ZINC000491769282 332336532 /nfs/dbraw/zinc/33/65/32/332336532.db2.gz KWDLVWQMGHPFMR-LBPRGKRZSA-N 0 3 259.378 2.650 20 30 CFEDHN C#C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)C(C)(C)C ZINC000491802539 332356586 /nfs/dbraw/zinc/35/65/86/332356586.db2.gz GEQDDVWIFPBUCW-OAHLLOKOSA-N 0 3 286.354 2.544 20 30 CFEDHN C#C[C@@H](NC1CCN(C2CC2)CC1)c1ccc(F)cc1 ZINC000491807501 332360589 /nfs/dbraw/zinc/36/05/89/332360589.db2.gz CARXTAQEGYKRFD-QGZVFWFLSA-N 0 3 272.367 2.716 20 30 CFEDHN C#C[C@@H](CC)NCc1cc(Cl)c(O)c(OCC)c1 ZINC000491808050 332361253 /nfs/dbraw/zinc/36/12/53/332361253.db2.gz UFNZNDLWDVZPFC-NSHDSACASA-N 0 3 267.756 2.946 20 30 CFEDHN CN(C)C/C=C/C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000492855519 332416377 /nfs/dbraw/zinc/41/63/77/332416377.db2.gz TZZTVNAGPHRECN-RCLKMUNOSA-N 0 3 285.391 2.656 20 30 CFEDHN CCN(Cc1ccc(CC#N)cc1)C[C@@H]1CCCO1 ZINC000342669116 335185412 /nfs/dbraw/zinc/18/54/12/335185412.db2.gz QKHGGMBFOSDFFO-INIZCTEOSA-N 0 3 258.365 2.754 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000249733333 334339623 /nfs/dbraw/zinc/33/96/23/334339623.db2.gz UZBHBXOTLNYOGH-ILXRZTDVSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCOc1cccc(CN2CCN(CCC)CC2)c1 ZINC000505235756 332734508 /nfs/dbraw/zinc/73/45/08/332734508.db2.gz PHRMBTMEMVJAHC-UHFFFAOYSA-N 0 3 274.408 2.779 20 30 CFEDHN C=CCOc1ccc(CN2CCN(CCC)CC2)cc1 ZINC000505265227 332735426 /nfs/dbraw/zinc/73/54/26/332735426.db2.gz ISULNJQKMMORSG-UHFFFAOYSA-N 0 3 274.408 2.779 20 30 CFEDHN OCC1(NCC#Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000305239803 332987947 /nfs/dbraw/zinc/98/79/47/332987947.db2.gz QJJWIJRCNBOMAM-UHFFFAOYSA-N 0 3 297.320 2.952 20 30 CFEDHN C=CCNC(=O)CN1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000174886340 333009831 /nfs/dbraw/zinc/00/98/31/333009831.db2.gz YMQNLMCTGBZAEA-RDJZCZTQSA-N 0 3 286.419 2.804 20 30 CFEDHN C=CCN1CCC(NC(=O)CCO[C@@H](C)CC(C)C)CC1 ZINC000087318063 333082802 /nfs/dbraw/zinc/08/28/02/333082802.db2.gz BBSLRFLXNJGEJQ-HNNXBMFYSA-N 0 3 296.455 2.594 20 30 CFEDHN C[C@H]1CCN(CC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000575880568 335127936 /nfs/dbraw/zinc/12/79/36/335127936.db2.gz WSLAFKQEANYKMN-RDJZCZTQSA-N 0 3 299.418 2.880 20 30 CFEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192154458 333230764 /nfs/dbraw/zinc/23/07/64/333230764.db2.gz ZRTITPJTCRLTIX-UKRRQHHQSA-N 0 3 278.783 2.778 20 30 CFEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192154471 333231187 /nfs/dbraw/zinc/23/11/87/333231187.db2.gz ZRTITPJTCRLTIX-HIFRSBDPSA-N 0 3 278.783 2.778 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194052370 333264442 /nfs/dbraw/zinc/26/44/42/333264442.db2.gz KXJOABGQOXRFET-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCNC1(c2ccc(Br)cc2)CCOCC1 ZINC000194312489 333268989 /nfs/dbraw/zinc/26/89/89/333268989.db2.gz OCRRZDZBHZITRF-UHFFFAOYSA-N 0 3 294.192 2.678 20 30 CFEDHN COc1ccc(CCN2CCC(C)(C#N)CC2)cc1 ZINC000227351085 333281293 /nfs/dbraw/zinc/28/12/93/333281293.db2.gz PBMCZCHCJBZBCC-UHFFFAOYSA-N 0 3 258.365 2.863 20 30 CFEDHN CC(C)[C@H](CNC[C@H](C)C#N)CNC(=O)OC(C)(C)C ZINC000230944013 333322984 /nfs/dbraw/zinc/32/29/84/333322984.db2.gz VQIAELBQPUHECT-CHWSQXEVSA-N 0 3 283.416 2.533 20 30 CFEDHN CCN(Cc1ccc(C(=O)NC2(C#N)CCC2)cc1)C1CC1 ZINC000523417324 333326119 /nfs/dbraw/zinc/32/61/19/333326119.db2.gz BRJJSUGIVDIEAO-UHFFFAOYSA-N 0 3 297.402 2.847 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CC[C@@H](OC)C1 ZINC000231680232 333327964 /nfs/dbraw/zinc/32/79/64/333327964.db2.gz CZOAPVGHLLZZJF-HUUCEWRRSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@H](O)C1 ZINC000236565285 333373677 /nfs/dbraw/zinc/37/36/77/333373677.db2.gz FUWQQLCDPMSWCH-HIFRSBDPSA-N 0 3 261.365 2.502 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CC[C@@H](O)C1 ZINC000236549832 333373698 /nfs/dbraw/zinc/37/36/98/333373698.db2.gz FUWQQLCDPMSWCH-DZGCQCFKSA-N 0 3 261.365 2.502 20 30 CFEDHN C=CCOc1ccccc1CNCC1=CCOCC1 ZINC000397901036 333430424 /nfs/dbraw/zinc/43/04/24/333430424.db2.gz XNTAYMISDKEDGZ-UHFFFAOYSA-N 0 3 259.349 2.688 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc2ccccc2nc1OC ZINC000538127618 333575781 /nfs/dbraw/zinc/57/57/81/333575781.db2.gz POAKCVGCYNVRME-CYBMUJFWSA-N 0 3 286.375 2.518 20 30 CFEDHN CC(C)n1cc([C@H](C)NCCCSCC#N)cn1 ZINC000541644475 333785744 /nfs/dbraw/zinc/78/57/44/333785744.db2.gz OUNBLFDACNFUPH-LBPRGKRZSA-N 0 3 266.414 2.761 20 30 CFEDHN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(CC#N)CC1 ZINC000541951192 333803514 /nfs/dbraw/zinc/80/35/14/333803514.db2.gz BEGHDZNFUDXFSV-RBSFLKMASA-N 0 3 291.439 2.790 20 30 CFEDHN CN(CCCSCC#N)CCOc1ccccc1 ZINC000074981172 334021474 /nfs/dbraw/zinc/02/14/74/334021474.db2.gz PAVROJYXSKKLAU-UHFFFAOYSA-N 0 3 264.394 2.644 20 30 CFEDHN C=CCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000546639308 334042889 /nfs/dbraw/zinc/04/28/89/334042889.db2.gz QUZKEWMGUFXLJU-NSHDSACASA-N 0 3 251.292 2.588 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000546655310 334044062 /nfs/dbraw/zinc/04/40/62/334044062.db2.gz JXTXXNBGZSNBIJ-BFYDXBDKSA-N 0 3 271.408 2.646 20 30 CFEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC1CC1 ZINC000077194548 334097961 /nfs/dbraw/zinc/09/79/61/334097961.db2.gz HPYLZROKVXZTPE-CQSZACIVSA-N 0 3 285.391 2.664 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000134624280 334098062 /nfs/dbraw/zinc/09/80/62/334098062.db2.gz QZNOVDNQZGCRJP-GDBMZVCRSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000547665079 334107427 /nfs/dbraw/zinc/10/74/27/334107427.db2.gz KMZZGHIKYNZHPF-NVXWUHKLSA-N 0 3 286.419 2.947 20 30 CFEDHN CCN(CC#Cc1ccccc1Cl)CC(C)(C)O ZINC000135080858 334114755 /nfs/dbraw/zinc/11/47/55/334114755.db2.gz PMGWWGKJYTUNME-UHFFFAOYSA-N 0 3 265.784 2.784 20 30 CFEDHN C=CCOCCN1CCCc2cc(OC)ccc2C1 ZINC000549405444 334192658 /nfs/dbraw/zinc/19/26/58/334192658.db2.gz QUWQRHQEETYMQZ-UHFFFAOYSA-N 0 3 261.365 2.646 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000549938877 334209834 /nfs/dbraw/zinc/20/98/34/334209834.db2.gz OZJVBHZGHXWCRQ-QLFBSQMISA-N 0 3 289.379 2.575 20 30 CFEDHN CC(C)CC[C@@H]1CCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247020739 334274211 /nfs/dbraw/zinc/27/42/11/334274211.db2.gz QIJTVWWRAFAVAB-DOTOQJQBSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2coc3ccccc23)CC1 ZINC000551989349 334270345 /nfs/dbraw/zinc/27/03/45/334270345.db2.gz ZHPTXWLYEPKDLJ-UHFFFAOYSA-N 0 3 298.386 2.742 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000552214923 334304024 /nfs/dbraw/zinc/30/40/24/334304024.db2.gz VAWDDHUQFVMEJP-SOLBZPMBSA-N 0 3 296.418 2.855 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000552214921 334304106 /nfs/dbraw/zinc/30/41/06/334304106.db2.gz VAWDDHUQFVMEJP-NUJGCVRESA-N 0 3 296.418 2.855 20 30 CFEDHN C=CCOc1ccc(CNC2(COC)CCOCC2)cc1 ZINC000552311835 334315664 /nfs/dbraw/zinc/31/56/64/334315664.db2.gz CNWUXCUJBBEFAX-UHFFFAOYSA-N 0 3 291.391 2.537 20 30 CFEDHN CC#CCN[C@@](C)(CC)COc1ncccc1Cl ZINC000091688408 334381971 /nfs/dbraw/zinc/38/19/71/334381971.db2.gz DDCKCGTXJNQWRE-AWEZNQCLSA-N 0 3 266.772 2.895 20 30 CFEDHN CN(CCCN1CCC(C#N)CC1)c1ccccc1 ZINC000565713495 334587967 /nfs/dbraw/zinc/58/79/67/334587967.db2.gz GPZKTKCXZPOXRN-UHFFFAOYSA-N 0 3 257.381 2.748 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](c3cccnc3)C2)nn1 ZINC000565885874 334605812 /nfs/dbraw/zinc/60/58/12/334605812.db2.gz BIRVGJJIEWMUTP-ZBFHGGJFSA-N 0 3 297.406 2.675 20 30 CFEDHN CC(C)(C)OC(=O)NC1CCN(CCC(C)(C)C#N)CC1 ZINC000157695630 334781045 /nfs/dbraw/zinc/78/10/45/334781045.db2.gz OEXOIADCLCELPN-UHFFFAOYSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000192624251 335287765 /nfs/dbraw/zinc/28/77/65/335287765.db2.gz MEMJXYFZIPAOSW-HUUCEWRRSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)[C@H]2C)CC1 ZINC000176497597 335289049 /nfs/dbraw/zinc/28/90/49/335289049.db2.gz MGYFVNACCAMHAT-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1ccc(C)cc1 ZINC000192945019 335329035 /nfs/dbraw/zinc/32/90/35/335329035.db2.gz ZOOZYLKXWQOMAI-ZBFHGGJFSA-N 0 3 287.407 2.796 20 30 CFEDHN C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@H]1CO ZINC000346299510 335365597 /nfs/dbraw/zinc/36/55/97/335365597.db2.gz BHZHSMNQGSNRLO-CJNGLKHVSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000180793504 335624364 /nfs/dbraw/zinc/62/43/64/335624364.db2.gz DWJDVDYXURFABI-MRXNPFEDSA-N 0 3 274.408 2.974 20 30 CFEDHN C=C(C)CCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000579988298 335944003 /nfs/dbraw/zinc/94/40/03/335944003.db2.gz QBCZGTWJUODFEI-NSHDSACASA-N 0 3 251.292 2.588 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001085552868 782097135 /nfs/dbraw/zinc/09/71/35/782097135.db2.gz QFZBZNYWVNPJFG-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085669649 782126783 /nfs/dbraw/zinc/12/67/83/782126783.db2.gz DRWZJRAPPIXZOF-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718771 782143179 /nfs/dbraw/zinc/14/31/79/782143179.db2.gz ADROJGVKDWEESK-RBSFLKMASA-N 0 3 278.440 2.777 20 30 CFEDHN CCCCN(CCOC)Cc1ccc(C#N)c(F)c1 ZINC000192017580 520536800 /nfs/dbraw/zinc/53/68/00/520536800.db2.gz CYGSZDDZWGLFRM-UHFFFAOYSA-N 0 3 264.344 2.946 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)C[C@H](C)CC)CC1 ZINC000173198178 500571283 /nfs/dbraw/zinc/57/12/83/500571283.db2.gz SXLQOPSYAUHISC-ZIAGYGMSSA-N 0 3 281.444 2.761 20 30 CFEDHN COc1cccc([C@H](CNc2ncccc2C#N)N(C)C)c1 ZINC000022288796 533780891 /nfs/dbraw/zinc/78/08/91/533780891.db2.gz NIHFAJACSNEZQD-INIZCTEOSA-N 0 3 296.374 2.677 20 30 CFEDHN COc1cc(CNCCCC#N)cc(Cl)c1OC ZINC000344332878 533873461 /nfs/dbraw/zinc/87/34/61/533873461.db2.gz ZXDQLRNVKXKXQZ-UHFFFAOYSA-N 0 3 268.744 2.751 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001085775413 782157703 /nfs/dbraw/zinc/15/77/03/782157703.db2.gz VNLQZRMZCNWLAA-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(F)c1 ZINC000330259846 534009014 /nfs/dbraw/zinc/00/90/14/534009014.db2.gz NTVVPZBKSRJQKO-NZVBXONLSA-N 0 3 292.354 2.959 20 30 CFEDHN Cc1ccc(C[C@@H](NC(=O)C(C)C#N)c2ccccn2)cc1 ZINC000347123328 534129875 /nfs/dbraw/zinc/12/98/75/534129875.db2.gz NLQJCJWYXPHYNC-WMLDXEAASA-N 0 3 293.370 2.950 20 30 CFEDHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1CC(=O)NCC1CC1 ZINC000329114749 534182710 /nfs/dbraw/zinc/18/27/10/534182710.db2.gz HWBSKUGJPHVORQ-INMHGKMJSA-N 0 3 294.439 2.759 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1ccncc1)C(C)C ZINC000046049383 517328095 /nfs/dbraw/zinc/32/80/95/517328095.db2.gz PYKLWAFVSMVNLK-INIZCTEOSA-N 0 3 287.407 2.510 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000347118851 534282104 /nfs/dbraw/zinc/28/21/04/534282104.db2.gz OBQMLDOJWBKZIT-GHMZBOCLSA-N 0 3 264.756 2.889 20 30 CFEDHN CC(C)C[C@@H](CO)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192195227 519216228 /nfs/dbraw/zinc/21/62/28/519216228.db2.gz CWDIGTPARFDBQC-AWEZNQCLSA-N 0 3 264.344 2.536 20 30 CFEDHN CC(C)N1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000360311477 519695687 /nfs/dbraw/zinc/69/56/87/519695687.db2.gz PRXIYIRPLBABMK-GRDNDAEWSA-N 0 3 299.418 2.507 20 30 CFEDHN CC(C)[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000336479391 519825154 /nfs/dbraw/zinc/82/51/54/519825154.db2.gz VNHOPUBAOPRVMH-OAHLLOKOSA-N 0 3 268.364 2.826 20 30 CFEDHN CCOC[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000072975772 520170886 /nfs/dbraw/zinc/17/08/86/520170886.db2.gz LJBPUMRQCHOLNQ-INIZCTEOSA-N 0 3 288.391 2.686 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000300645265 520428042 /nfs/dbraw/zinc/42/80/42/520428042.db2.gz OWTOSUUNHRRUII-JKSUJKDBSA-N 0 3 288.391 2.860 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)c(OC)c2)C1(C)C ZINC000233776239 520550749 /nfs/dbraw/zinc/55/07/49/520550749.db2.gz OWTOSUUNHRRUII-CVEARBPZSA-N 0 3 288.391 2.860 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cccc(C#N)c1 ZINC000338438787 520584097 /nfs/dbraw/zinc/58/40/97/520584097.db2.gz ICVWHQDZBGVUQW-QGZVFWFLSA-N 0 3 299.418 2.943 20 30 CFEDHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000069238153 520964050 /nfs/dbraw/zinc/96/40/50/520964050.db2.gz CLWLOAUGLBYTMQ-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC2CCC1CC2 ZINC000361998619 522033580 /nfs/dbraw/zinc/03/35/80/522033580.db2.gz STVUNQWBQJKLHQ-UHFFFAOYSA-N 0 3 256.349 2.941 20 30 CFEDHN N#CCCCNCc1cnc(-c2ccccn2)s1 ZINC000344303464 534613090 /nfs/dbraw/zinc/61/30/90/534613090.db2.gz MGWFYNLKLPVCJX-UHFFFAOYSA-N 0 3 258.350 2.598 20 30 CFEDHN Cc1nc2cc(C(=O)N[C@@H]3CCN(C)[C@H](C)C3)ccc2o1 ZINC000329978854 534637460 /nfs/dbraw/zinc/63/74/60/534637460.db2.gz IJBCLJZDZGTEGS-ZWNOBZJWSA-N 0 3 287.363 2.924 20 30 CFEDHN COC[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)OC ZINC000360875085 522683405 /nfs/dbraw/zinc/68/34/05/522683405.db2.gz WGOTYRDFXKFHSX-DOTOQJQBSA-N 0 3 288.391 2.577 20 30 CFEDHN COCC(C)(C)NCc1ccc(C#N)cc1Cl ZINC000162815142 522825856 /nfs/dbraw/zinc/82/58/56/522825856.db2.gz YKWHVRBYNHLKRC-UHFFFAOYSA-N 0 3 252.745 2.726 20 30 CFEDHN COCC1(C)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361859323 522854890 /nfs/dbraw/zinc/85/48/90/522854890.db2.gz BWQOIRZBUCNHNB-UHFFFAOYSA-N 0 3 276.355 2.946 20 30 CFEDHN COCCN(Cc1cccc(C#N)c1F)CC(C)C ZINC000223521972 523754058 /nfs/dbraw/zinc/75/40/58/523754058.db2.gz GSIFETRQNVSBLV-UHFFFAOYSA-N 0 3 264.344 2.802 20 30 CFEDHN N#CC(C(=O)c1cccc2cnccc21)c1ccncn1 ZINC000354472869 534740920 /nfs/dbraw/zinc/74/09/20/534740920.db2.gz VOALHURIEGCWHZ-AWEZNQCLSA-N 0 3 274.283 2.515 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000221982651 523957303 /nfs/dbraw/zinc/95/73/03/523957303.db2.gz LVASSVSFVXLFPV-ZDUSSCGKSA-N 0 3 275.371 2.613 20 30 CFEDHN COc1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cc1C#N ZINC000246487252 524038872 /nfs/dbraw/zinc/03/88/72/524038872.db2.gz GXOWNVPRPAKONG-WMLDXEAASA-N 0 3 286.375 2.568 20 30 CFEDHN C[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245523823 524246464 /nfs/dbraw/zinc/24/64/64/524246464.db2.gz NGHMNBNOBZCYCQ-PBHICJAKSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@H](C[C@H](C)O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000341294948 524639977 /nfs/dbraw/zinc/63/99/77/524639977.db2.gz HXOZMUGJZUHSBT-VWYCJHECSA-N 0 3 250.317 2.507 20 30 CFEDHN C=CCC[C@@H](O)CN[C@](C)(CC)c1nc(C)cs1 ZINC000268534734 534799382 /nfs/dbraw/zinc/79/93/82/534799382.db2.gz JLACMHCAHIZFOM-TZMCWYRMSA-N 0 3 268.426 2.993 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000229412943 525222119 /nfs/dbraw/zinc/22/21/19/525222119.db2.gz OVVVWFHFADZVNX-MGPQQGTHSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@@H]1C[C@H](C)N1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000336055337 525396707 /nfs/dbraw/zinc/39/67/07/525396707.db2.gz KREMSOKVVHVGII-BETUJISGSA-N 0 3 280.375 2.941 20 30 CFEDHN C[C@@H]1C[C@H](C)[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000166721515 525404870 /nfs/dbraw/zinc/40/48/70/525404870.db2.gz NJBDKEWYYGEZQJ-RDBSUJKOSA-N 0 3 285.391 2.863 20 30 CFEDHN C[C@@H](NCc1cc(C#N)cs1)[C@H](O)Cc1ccccc1 ZINC000305213313 525512396 /nfs/dbraw/zinc/51/23/96/525512396.db2.gz QIQMDQVWWDJJDQ-MLGOLLRUSA-N 0 3 286.400 2.701 20 30 CFEDHN C[C@H](N[C@H]1CCCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000305834493 525605221 /nfs/dbraw/zinc/60/52/21/525605221.db2.gz PKSPMAVTESMNHB-NZVBXONLSA-N 0 3 262.328 2.651 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1cccc(C#N)c1 ZINC000224769325 525624893 /nfs/dbraw/zinc/62/48/93/525624893.db2.gz VVRIWGBHAVKQTR-KNXALSJPSA-N 0 3 256.349 2.776 20 30 CFEDHN C[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1ccc(C#N)s1 ZINC000362033574 525693002 /nfs/dbraw/zinc/69/30/02/525693002.db2.gz UUJSUTUAFCBZHF-KOLCDFICSA-N 0 3 272.377 2.551 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791642 782163814 /nfs/dbraw/zinc/16/38/14/782163814.db2.gz OIMUSYGVUHPMBO-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000336082724 526155925 /nfs/dbraw/zinc/15/59/25/526155925.db2.gz XFQUBQKZHPUTKB-KRWDZBQOSA-N 0 3 265.360 2.982 20 30 CFEDHN C=CCN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185381884 526455016 /nfs/dbraw/zinc/45/50/16/526455016.db2.gz KQQBJIUVXGLUBI-UHFFFAOYSA-N 0 3 291.351 2.666 20 30 CFEDHN C=CCN1CC[C@H](NCC2(c3ccccc3)CCCC2)C1=O ZINC000352834632 526513296 /nfs/dbraw/zinc/51/32/96/526513296.db2.gz VINONTCLUBUZLY-KRWDZBQOSA-N 0 3 298.430 2.875 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C1CCC(F)(F)CC1 ZINC000347578327 526518578 /nfs/dbraw/zinc/51/85/78/526518578.db2.gz IXRHEVADCDHFSY-UHFFFAOYSA-N 0 3 288.382 2.921 20 30 CFEDHN N#Cc1ccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)o1 ZINC000335234335 526609602 /nfs/dbraw/zinc/60/96/02/526609602.db2.gz RTQFXULRTADQEA-INIZCTEOSA-N 0 3 286.375 2.932 20 30 CFEDHN N#Cc1ccc(CN2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000363410093 526610946 /nfs/dbraw/zinc/61/09/46/526610946.db2.gz CCDRUSKSXQBOOS-JKSUJKDBSA-N 0 3 256.349 2.702 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000236058749 526626580 /nfs/dbraw/zinc/62/65/80/526626580.db2.gz IASWQWRMTNQWEO-GJZGRUSLSA-N 0 3 276.767 2.869 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000334189523 526637844 /nfs/dbraw/zinc/63/78/44/526637844.db2.gz HPHRXOLWKZZQJS-HNNXBMFYSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000334802306 526638046 /nfs/dbraw/zinc/63/80/46/526638046.db2.gz DXCVXQFLWSRANH-BBRMVZONSA-N 0 3 274.339 2.698 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344647903 526699378 /nfs/dbraw/zinc/69/93/78/526699378.db2.gz SUQKREBPRVGXGG-KGLIPLIRSA-N 0 3 266.429 2.825 20 30 CFEDHN N#Cc1cccc(CN(CCO)C2CCCCC2)c1F ZINC000223566819 526701788 /nfs/dbraw/zinc/70/17/88/526701788.db2.gz FDXHPUUDXXNLAW-UHFFFAOYSA-N 0 3 276.355 2.824 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344697593 526707346 /nfs/dbraw/zinc/70/73/46/526707346.db2.gz LNOOYJVLQQGFQM-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365161228 526709644 /nfs/dbraw/zinc/70/96/44/526709644.db2.gz JOVSXDSVCPNCLS-HKUYNNGSSA-N 0 3 292.382 2.944 20 30 CFEDHN C=CCOCCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000347965432 526749208 /nfs/dbraw/zinc/74/92/08/526749208.db2.gz LXRWJWNTVJNNDP-MRXNPFEDSA-N 0 3 279.380 2.853 20 30 CFEDHN C=CCOCCCN1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000347971846 526753740 /nfs/dbraw/zinc/75/37/40/526753740.db2.gz ZLBUOKKYNHAKML-AWEZNQCLSA-N 0 3 293.411 2.965 20 30 CFEDHN N#Cc1ccncc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000306345589 526765179 /nfs/dbraw/zinc/76/51/79/526765179.db2.gz OJGDKLMBQDSRLK-MRXNPFEDSA-N 0 3 278.359 2.640 20 30 CFEDHN N#Cc1csc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000336440274 526781032 /nfs/dbraw/zinc/78/10/32/526781032.db2.gz VJCQHNXMIZUNOL-UHFFFAOYSA-N 0 3 272.377 2.722 20 30 CFEDHN N#Cc1csc(CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000361252709 526781391 /nfs/dbraw/zinc/78/13/91/526781391.db2.gz RVTUQZZWUUMDGW-KRWDZBQOSA-N 0 3 298.411 2.756 20 30 CFEDHN N#Cc1csc(CN2CCC3(C2)CCOCC3)c1 ZINC000336164990 526781729 /nfs/dbraw/zinc/78/17/29/526781729.db2.gz GLRFCQSEAXXACW-UHFFFAOYSA-N 0 3 262.378 2.622 20 30 CFEDHN C=C(C)[C@H](CC(=O)NC[C@H]1N(C)CCCC1(C)C)OCC ZINC000344628671 526813379 /nfs/dbraw/zinc/81/33/79/526813379.db2.gz AJPUXKDYSRMZND-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCOc1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000353671985 526865959 /nfs/dbraw/zinc/86/59/59/526865959.db2.gz PODIGKSIQAPAFV-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000351965970 526994709 /nfs/dbraw/zinc/99/47/09/526994709.db2.gz WWYNJAHHFRCDJK-CYBMUJFWSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110356287 527073222 /nfs/dbraw/zinc/07/32/22/527073222.db2.gz RHSPTHJYAUMDIB-CQSZACIVSA-N 0 3 260.381 2.589 20 30 CFEDHN C=CC[C@H](CO)CNc1ccnc2ccc(C)cc21 ZINC000354577627 527164852 /nfs/dbraw/zinc/16/48/52/527164852.db2.gz XJYJLWMVBCKSTC-ZDUSSCGKSA-N 0 3 256.349 2.562 20 30 CFEDHN CC(C)(CNCc1cc(C#N)cs1)OCC1CC1 ZINC000414517209 527169917 /nfs/dbraw/zinc/16/99/17/527169917.db2.gz QWDUTRCVLUXESO-UHFFFAOYSA-N 0 3 264.394 2.915 20 30 CFEDHN C=CCCCN1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000350476217 527200556 /nfs/dbraw/zinc/20/05/56/527200556.db2.gz JLIXFNPLRCIZEM-HUUCEWRRSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000352227349 527324849 /nfs/dbraw/zinc/32/48/49/527324849.db2.gz MTXMFHJRDFIBDB-HNNXBMFYSA-N 0 3 258.365 2.690 20 30 CFEDHN C=CCC[C@@H](C)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000355061355 527425308 /nfs/dbraw/zinc/42/53/08/527425308.db2.gz JHLCHVNQPKZBJR-UKRRQHHQSA-N 0 3 277.412 2.851 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000353563559 527595257 /nfs/dbraw/zinc/59/52/57/527595257.db2.gz FOLRBPRIOYMYGX-CXAGYDPISA-N 0 3 268.360 2.946 20 30 CFEDHN CC(C)CN(Cc1ccccc1F)C(=O)C(C)C#N ZINC000347127060 527949161 /nfs/dbraw/zinc/94/91/61/527949161.db2.gz WZGQZVIIGZPOCJ-GFCCVEGCSA-N 0 3 262.328 2.970 20 30 CFEDHN CCO[C@H]1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000414143559 528103702 /nfs/dbraw/zinc/10/37/02/528103702.db2.gz LTNBEJIPUQYABS-HONMWMINSA-N 0 3 262.328 2.915 20 30 CFEDHN CC1=C[C@@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000334863546 528128898 /nfs/dbraw/zinc/12/88/98/528128898.db2.gz LSFBSBHAYSHRPO-DYVFJYSZSA-N 0 3 293.370 2.665 20 30 CFEDHN CC(C)Oc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1 ZINC000347068943 528203044 /nfs/dbraw/zinc/20/30/44/528203044.db2.gz MNMMBUUFWCNXTG-NWDGAFQWSA-N 0 3 260.337 2.811 20 30 CFEDHN CCN(CCC1CC1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000355037079 528427036 /nfs/dbraw/zinc/42/70/36/528427036.db2.gz KNPYMFPKCPKNPG-BBRMVZONSA-N 0 3 279.428 2.551 20 30 CFEDHN CC[C@H](CNCc1cccc(OCCCC#N)c1)OC ZINC000353099394 529361691 /nfs/dbraw/zinc/36/16/91/529361691.db2.gz WMCWPZTYNWFGCU-OAHLLOKOSA-N 0 3 276.380 2.884 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)Cc1cc(C#N)cs1 ZINC000355356802 535616749 /nfs/dbraw/zinc/61/67/49/535616749.db2.gz RZLLUMGYQYQDOA-UHFFFAOYSA-N 0 3 280.393 2.783 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(OC)c1 ZINC000449757706 535753633 /nfs/dbraw/zinc/75/36/33/535753633.db2.gz SUWOHOWJOZZZMS-HUUCEWRRSA-N 0 3 274.364 2.614 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1cc(C#N)cs1 ZINC000446907716 535767794 /nfs/dbraw/zinc/76/77/94/535767794.db2.gz FSDKQHLHVKPVJO-CQSZACIVSA-N 0 3 264.394 2.747 20 30 CFEDHN CC[C@H](NCC[C@@H](C)[S@](C)=O)c1ccc(C#N)cc1 ZINC000447588187 535905357 /nfs/dbraw/zinc/90/53/57/535905357.db2.gz SSIYGGBUSTVYGR-YFROIQMUSA-N 0 3 278.421 2.756 20 30 CFEDHN CC[C@H](NC[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000447527076 535909592 /nfs/dbraw/zinc/90/95/92/535909592.db2.gz DWQRQTJELHDTEU-RYUDHWBXSA-N 0 3 272.270 2.522 20 30 CFEDHN CN(C)C1(CN(C)C(=O)/C=C\c2cccc(C#N)c2)CCC1 ZINC000491987617 536112279 /nfs/dbraw/zinc/11/22/79/536112279.db2.gz CWIZCDSRYCGMPO-HJWRWDBZSA-N 0 3 297.402 2.514 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834465 782180061 /nfs/dbraw/zinc/18/00/61/782180061.db2.gz LIRANOPVDSSEJF-CQSZACIVSA-N 0 3 297.402 2.890 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744033836 574049845 /nfs/dbraw/zinc/04/98/45/574049845.db2.gz VUHFBFGHJCGKAU-ZWNOBZJWSA-N 0 3 292.766 2.677 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)CCCCCC ZINC000744030279 574049864 /nfs/dbraw/zinc/04/98/64/574049864.db2.gz CEHKFAPOZGXAMO-QWHCGFSZSA-N 0 3 264.369 2.604 20 30 CFEDHN CC(C)=CCCC(C)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753935291 574056053 /nfs/dbraw/zinc/05/60/53/574056053.db2.gz MZVARBYOSGKQQB-OKILXGFUSA-N 0 3 262.401 2.969 20 30 CFEDHN CCc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@H]3N2)s1 ZINC000753933976 574056089 /nfs/dbraw/zinc/05/60/89/574056089.db2.gz DUDWBCSAGRPWSN-CHWSQXEVSA-N 0 3 290.436 2.895 20 30 CFEDHN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C)cc1 ZINC000753941049 574057147 /nfs/dbraw/zinc/05/71/47/574057147.db2.gz WHOMJGLTNRIEIO-HUUCEWRRSA-N 0 3 270.380 2.579 20 30 CFEDHN CC(=NNC1CCCC1)c1cccc(OCCN(C)C)c1 ZINC000727651561 574058681 /nfs/dbraw/zinc/05/86/81/574058681.db2.gz FIBSEGSNSKHAEU-UHFFFAOYSA-N 0 3 289.423 2.883 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000736673688 574064941 /nfs/dbraw/zinc/06/49/41/574064941.db2.gz NBNWLKXZWKYTAX-CQSZACIVSA-N 0 3 285.391 2.699 20 30 CFEDHN CC(C)N1CC(N=Nc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000754254667 574084528 /nfs/dbraw/zinc/08/45/28/574084528.db2.gz OCMUBZFDEZVREV-LLVKDONJSA-N 0 3 271.368 2.691 20 30 CFEDHN CC(C)N1CC(N=Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000754254685 574084774 /nfs/dbraw/zinc/08/47/74/574084774.db2.gz OPGKRJMQUYLLNR-LLVKDONJSA-N 0 3 276.340 2.723 20 30 CFEDHN COc1cccc(N=NC2CN(C(C)C)C[C@H]2C)c1 ZINC000754257788 574084784 /nfs/dbraw/zinc/08/47/84/574084784.db2.gz IYDDMZHLRYONRD-GFCCVEGCSA-N 0 3 261.369 2.823 20 30 CFEDHN C=C(Cl)CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000736959463 574087688 /nfs/dbraw/zinc/08/76/88/574087688.db2.gz JFYWAUBCBFCHHP-UHFFFAOYSA-N 0 3 297.786 2.501 20 30 CFEDHN COc1ccc(N=NC2CN(C3CC3)C[C@@H]2C)cc1 ZINC000750946017 574088362 /nfs/dbraw/zinc/08/83/62/574088362.db2.gz MCCNTEMFFJISIM-NSHDSACASA-N 0 3 259.353 2.577 20 30 CFEDHN Cc1ccc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000754658890 574111583 /nfs/dbraw/zinc/11/15/83/574111583.db2.gz APBBWTIIGRKUGB-WFASDCNBSA-N 0 3 293.436 2.762 20 30 CFEDHN Cc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000754673872 574112645 /nfs/dbraw/zinc/11/26/45/574112645.db2.gz KDNLFNBQPVPHBO-IAQYHMDHSA-N 0 3 291.420 2.516 20 30 CFEDHN N#CCOc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000731212440 574113706 /nfs/dbraw/zinc/11/37/06/574113706.db2.gz MAFVHQNJLGCTMR-UHFFFAOYSA-N 0 3 296.374 2.692 20 30 CFEDHN CC(C)n1cc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)cn1 ZINC000754801888 574122064 /nfs/dbraw/zinc/12/20/64/574122064.db2.gz ZYQXPJFUFUSBHH-DYVFJYSZSA-N 0 3 298.390 2.720 20 30 CFEDHN Cc1cc(C=[NH+][N-]c2nc3ccccc3[nH]2)c(C)n1C ZINC000754910100 574127883 /nfs/dbraw/zinc/12/78/83/574127883.db2.gz HIVMJLKKLOZFBC-UHFFFAOYSA-N 0 3 267.336 2.964 20 30 CFEDHN CCCCCCN(C)CC(=O)N(CC)C[C@@H](C)C#N ZINC000731870537 574131157 /nfs/dbraw/zinc/13/11/57/574131157.db2.gz PHIHJXSGKPZRQO-AWEZNQCLSA-N 0 3 267.417 2.507 20 30 CFEDHN C=CCN(Cc1ccc(N(C)C)cc1)[C@H](C)COC ZINC000746159220 574137670 /nfs/dbraw/zinc/13/76/70/574137670.db2.gz BYXCJDYUBRXUCL-CQSZACIVSA-N 0 3 262.397 2.776 20 30 CFEDHN C#CCNC(=O)CNC(CC)(CC)c1ccc(Cl)cc1 ZINC000728927754 574138685 /nfs/dbraw/zinc/13/86/85/574138685.db2.gz GHKXQWXVAZJODJ-UHFFFAOYSA-N 0 3 292.810 2.694 20 30 CFEDHN CC(C)CN(CCC#N)C(=O)[C@@H](C)N1CCCCCC1 ZINC000746175556 574138746 /nfs/dbraw/zinc/13/87/46/574138746.db2.gz ZUYMIXPZUXHIIB-OAHLLOKOSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCCC(=O)N(C)c1ccc(OCCN(C)C)cc1 ZINC000732007289 574139918 /nfs/dbraw/zinc/13/99/18/574139918.db2.gz PJIINIUDSRKEDL-UHFFFAOYSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCN(C(=O)c1cccc(CN(C)C)c1)C(C)C ZINC000746219014 574140526 /nfs/dbraw/zinc/14/05/26/574140526.db2.gz QEWRCMLDLVIAHE-UHFFFAOYSA-N 0 3 260.381 2.785 20 30 CFEDHN C=CCOc1ccccc1CNc1cc(C)nc(N)n1 ZINC000732051451 574141037 /nfs/dbraw/zinc/14/10/37/574141037.db2.gz LXHSEQIQWLNTBI-UHFFFAOYSA-N 0 3 270.336 2.544 20 30 CFEDHN C#CCN(CC)Cc1ccc(CN(CC)CC#C)cc1 ZINC000746456883 574149195 /nfs/dbraw/zinc/14/91/95/574149195.db2.gz PQAGEODQVRWWQS-UHFFFAOYSA-N 0 3 268.404 2.597 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000732918594 574178146 /nfs/dbraw/zinc/17/81/46/574178146.db2.gz PHFBNELMKQMWHS-KRWDZBQOSA-N 0 3 284.334 2.695 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCSCC1 ZINC000733052586 574184641 /nfs/dbraw/zinc/18/46/41/574184641.db2.gz CEXIYTAKYQYVIN-ZDUSSCGKSA-N 0 3 296.436 2.535 20 30 CFEDHN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)c2ccccn2)C1 ZINC000733052592 574184700 /nfs/dbraw/zinc/18/47/00/574184700.db2.gz CISOXDBUWAFISM-HZSPNIEDSA-N 0 3 272.348 2.853 20 30 CFEDHN CCOCCCN1CCC(=NO[C@@H]2CCCCO2)[C@H](C)C1 ZINC000755817328 574189517 /nfs/dbraw/zinc/18/95/17/574189517.db2.gz KFKKRWOFNPKAKB-GDBMZVCRSA-N 0 3 298.427 2.654 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1nncc2ccccc21 ZINC000755880020 574193931 /nfs/dbraw/zinc/19/39/31/574193931.db2.gz NUJIOWWPRBETEB-NSHDSACASA-N 0 3 281.363 2.512 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(C(F)(F)F)cn1 ZINC000755879546 574193945 /nfs/dbraw/zinc/19/39/45/574193945.db2.gz LXAHVSFPYYEJAD-VIFPVBQESA-N 0 3 298.312 2.982 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1cc(F)cc(F)c1 ZINC000755890158 574194226 /nfs/dbraw/zinc/19/42/26/574194226.db2.gz JPJTUBVGMYRMCA-SECBINFHSA-N 0 3 265.307 2.847 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2ccc3ccccc3n2)CCCO1 ZINC000756223924 574217465 /nfs/dbraw/zinc/21/74/65/574217465.db2.gz HURQVOCCWOKVCV-GUYCJALGSA-N 0 3 280.327 2.980 20 30 CFEDHN C=CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000739915142 574228895 /nfs/dbraw/zinc/22/88/95/574228895.db2.gz NYUULPJZKSRQAA-CHWSQXEVSA-N 0 3 268.401 2.892 20 30 CFEDHN C=CCN1CCC(NC(=S)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000729942539 574239636 /nfs/dbraw/zinc/23/96/36/574239636.db2.gz IOGRGLAUQDDGSN-ZFWWWQNUSA-N 0 3 295.496 2.680 20 30 CFEDHN C#Cc1cccc(NC(=S)NC2CCN(CC=C)CC2)c1 ZINC000729942797 574239789 /nfs/dbraw/zinc/23/97/89/574239789.db2.gz SGBLTXBCZNSGBK-UHFFFAOYSA-N 0 3 299.443 2.605 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C(/C)CCC)CC1 ZINC000729976897 574240716 /nfs/dbraw/zinc/24/07/16/574240716.db2.gz BWDGIMYYWSWAIX-KAMYIIQDSA-N 0 3 264.413 2.890 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CSCCCC)CC1 ZINC000729975065 574240840 /nfs/dbraw/zinc/24/08/40/574240840.db2.gz HHSAUZFMUYRJOC-UHFFFAOYSA-N 0 3 284.469 2.676 20 30 CFEDHN C=CCCCC(=O)N(CCc1ccccc1)CCN(C)C ZINC000748525009 574256834 /nfs/dbraw/zinc/25/68/34/574256834.db2.gz ISZDSLYQOXIKTH-UHFFFAOYSA-N 0 3 288.435 2.976 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNC(C)(C)c2cnn(C)c2)cc1 ZINC000742374463 574279302 /nfs/dbraw/zinc/27/93/02/574279302.db2.gz YQUZUOHMPBUKMC-CYBMUJFWSA-N 0 3 298.390 2.736 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCC1N=Nc1cnccn1 ZINC000734365070 574283764 /nfs/dbraw/zinc/28/37/64/574283764.db2.gz AUJZJVUIMBGWLC-CQSZACIVSA-N 0 3 295.390 2.787 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1 ZINC000741261142 574285237 /nfs/dbraw/zinc/28/52/37/574285237.db2.gz LSVPLXNHFGDOOK-MRXNPFEDSA-N 0 3 287.359 2.976 20 30 CFEDHN CCN1CCC(N=Nc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000741463918 574291673 /nfs/dbraw/zinc/29/16/73/574291673.db2.gz LABPDIXBZDCTRZ-GFCCVEGCSA-N 0 3 299.378 2.866 20 30 CFEDHN CCCCCCCCOCC(=O)N[C@@H]1CCCN(C)C1 ZINC000741688812 574298755 /nfs/dbraw/zinc/29/87/55/574298755.db2.gz MHXKWRMBBMJPHG-OAHLLOKOSA-N 0 3 284.444 2.574 20 30 CFEDHN CCCCCCCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000741723919 574299769 /nfs/dbraw/zinc/29/97/69/574299769.db2.gz WTPXCZBAETXXAO-UONOGXRCSA-N 0 3 254.418 2.946 20 30 CFEDHN C=CC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402667 574323853 /nfs/dbraw/zinc/32/38/53/574323853.db2.gz FYYKUXRWXFHFIW-LBPRGKRZSA-N 0 3 283.379 2.826 20 30 CFEDHN C=CC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402667 574323854 /nfs/dbraw/zinc/32/38/54/574323854.db2.gz FYYKUXRWXFHFIW-LBPRGKRZSA-N 0 3 283.379 2.826 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C\C1CC1)C(C)C ZINC000742670648 574338914 /nfs/dbraw/zinc/33/89/14/574338914.db2.gz NGAJJTSSXQFTHI-ZBTGYSDGSA-N 0 3 276.424 2.767 20 30 CFEDHN N#CCCCOC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000735938688 574342541 /nfs/dbraw/zinc/34/25/41/574342541.db2.gz NBTUPAHYFDJFSI-MRXNPFEDSA-N 0 3 286.375 2.746 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000743493489 574366862 /nfs/dbraw/zinc/36/68/62/574366862.db2.gz WIQUFXJTUMTGDR-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN COCCC(C)(C)CNCc1ccc(C#N)cc1F ZINC000230863488 574375118 /nfs/dbraw/zinc/37/51/18/574375118.db2.gz SQFAUZFSJSRAQV-UHFFFAOYSA-N 0 3 264.344 2.850 20 30 CFEDHN CC(C)=C(C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000751362308 574375306 /nfs/dbraw/zinc/37/53/06/574375306.db2.gz BYBVRLRIIWLFTB-UHFFFAOYSA-N 0 3 299.418 2.805 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CC1CC1 ZINC000744011232 574375978 /nfs/dbraw/zinc/37/59/78/574375978.db2.gz XOVBEIBJIZDTED-LAUAKBEESA-N 0 3 265.316 2.716 20 30 CFEDHN C#CCN(CCOc1cccc(OC)c1)C1CCCC1 ZINC000752003753 574386551 /nfs/dbraw/zinc/38/65/51/574386551.db2.gz WLLBJGRNEJPGST-UHFFFAOYSA-N 0 3 273.376 2.952 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000752101849 574388095 /nfs/dbraw/zinc/38/80/95/574388095.db2.gz POARQWMALLNNMN-RDBSUJKOSA-N 0 3 290.363 2.634 20 30 CFEDHN C=C(C)CNC(=S)N(CCN(C)C)Cc1cccs1 ZINC000752249083 574389293 /nfs/dbraw/zinc/38/92/93/574389293.db2.gz WUEJUXNLWSRYRR-UHFFFAOYSA-N 0 3 297.493 2.562 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000752762294 574394857 /nfs/dbraw/zinc/39/48/57/574394857.db2.gz REWOKIHJXZRJBV-NSHDSACASA-N 0 3 260.312 2.691 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894604 608482855 /nfs/dbraw/zinc/48/28/55/608482855.db2.gz URMQMAHLZAJKQM-NEPJUHHUSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819730386 606996291 /nfs/dbraw/zinc/99/62/91/606996291.db2.gz YKAMIDHCXIDSLB-NEPJUHHUSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819730386 606996292 /nfs/dbraw/zinc/99/62/92/606996292.db2.gz YKAMIDHCXIDSLB-NEPJUHHUSA-N 0 3 271.368 2.557 20 30 CFEDHN C#CCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823840696 608355421 /nfs/dbraw/zinc/35/54/21/608355421.db2.gz BQLJOHRVMKNMKZ-UHFFFAOYSA-N 0 3 297.406 2.738 20 30 CFEDHN C#CCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823840696 608355423 /nfs/dbraw/zinc/35/54/23/608355423.db2.gz BQLJOHRVMKNMKZ-UHFFFAOYSA-N 0 3 297.406 2.738 20 30 CFEDHN C#CCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823840696 608355425 /nfs/dbraw/zinc/35/54/25/608355425.db2.gz BQLJOHRVMKNMKZ-UHFFFAOYSA-N 0 3 297.406 2.738 20 30 CFEDHN C#CCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823840696 608355427 /nfs/dbraw/zinc/35/54/27/608355427.db2.gz BQLJOHRVMKNMKZ-UHFFFAOYSA-N 0 3 297.406 2.738 20 30 CFEDHN C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585087 608460985 /nfs/dbraw/zinc/46/09/85/608460985.db2.gz NFTCATBRMMUYAW-LBPRGKRZSA-N 0 3 298.394 2.847 20 30 CFEDHN C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585087 608460987 /nfs/dbraw/zinc/46/09/87/608460987.db2.gz NFTCATBRMMUYAW-LBPRGKRZSA-N 0 3 298.394 2.847 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894604 608482854 /nfs/dbraw/zinc/48/28/54/608482854.db2.gz URMQMAHLZAJKQM-NEPJUHHUSA-N 0 3 271.368 2.872 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)[C@H](CC)CC2CCCCC2)C1 ZINC000970161619 612963480 /nfs/dbraw/zinc/96/34/80/612963480.db2.gz QOXIWWVQLBBFAB-IAGOWNOFSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3s2)C1 ZINC000970382247 612965265 /nfs/dbraw/zinc/96/52/65/612965265.db2.gz WSYRLQSORPNZDX-CQSZACIVSA-N 0 3 298.411 2.647 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000970946342 612993903 /nfs/dbraw/zinc/99/39/03/612993903.db2.gz BXZXKTCGBUYZJH-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000970771117 612996520 /nfs/dbraw/zinc/99/65/20/612996520.db2.gz JAAFHIHVNZAQIY-JYJNAYRXSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2ccc3occc3c2)C1 ZINC000969724625 612997848 /nfs/dbraw/zinc/99/78/48/612997848.db2.gz GJKMITDBVZKPED-ZDUSSCGKSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000981157039 613003425 /nfs/dbraw/zinc/00/34/25/613003425.db2.gz QAAQEHUNTJEOLP-MRXNPFEDSA-N 0 3 288.435 2.514 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965900768 613023941 /nfs/dbraw/zinc/02/39/41/613023941.db2.gz MUCTWTKYYRXGIP-DZGCQCFKSA-N 0 3 292.398 2.634 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665109 613024200 /nfs/dbraw/zinc/02/42/00/613024200.db2.gz NEVSYBLSXFEJKM-DOTOQJQBSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966005511 613025096 /nfs/dbraw/zinc/02/50/96/613025096.db2.gz VFGPDQBYOMZSFR-SWLSCSKDSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000975009174 613031397 /nfs/dbraw/zinc/03/13/97/613031397.db2.gz HALQTZZGCCTCFZ-MRXNPFEDSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974941920 613036805 /nfs/dbraw/zinc/03/68/05/613036805.db2.gz BCDQAFHNGHJEGT-HNNXBMFYSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948162110 613161525 /nfs/dbraw/zinc/16/15/25/613161525.db2.gz LHWNLEYGALUSHR-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000948274523 613177674 /nfs/dbraw/zinc/17/76/74/613177674.db2.gz VLKSBRSUJOPIIZ-AWEZNQCLSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948162109 613177758 /nfs/dbraw/zinc/17/77/58/613177758.db2.gz LHWNLEYGALUSHR-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccc(C)s2)CC1 ZINC000948151668 613179207 /nfs/dbraw/zinc/17/92/07/613179207.db2.gz GGZGZFGOLSICOK-AWEZNQCLSA-N 0 3 290.432 2.616 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2C)C[C@@H]1C ZINC000947994008 613237154 /nfs/dbraw/zinc/23/71/54/613237154.db2.gz LNAUJLMYEHEYGI-GOEBONIOSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000945224324 613237184 /nfs/dbraw/zinc/23/71/84/613237184.db2.gz QTXKYYPNOXCGDK-RDTXWAMCSA-N 0 3 296.414 2.637 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981741242 613240301 /nfs/dbraw/zinc/24/03/01/613240301.db2.gz WOZLYYLWGYFIRV-AWEZNQCLSA-N 0 3 284.419 2.871 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2cocc2C)CC1 ZINC000981770485 613255889 /nfs/dbraw/zinc/25/58/89/613255889.db2.gz LSYWIBPPJAQBKJ-UHFFFAOYSA-N 0 3 276.380 2.702 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)C[C@@H]1C ZINC000948008104 613256075 /nfs/dbraw/zinc/25/60/75/613256075.db2.gz ZQHSKGKPZBWHST-RDJZCZTQSA-N 0 3 298.430 2.567 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000945336150 613258118 /nfs/dbraw/zinc/25/81/18/613258118.db2.gz RULUXDJSIYWARR-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CCN1CC[C@H](C)[C@H](NC(=O)c2cncs2)C1 ZINC000965415894 613269842 /nfs/dbraw/zinc/26/98/42/613269842.db2.gz BWTITAMFLWTDIJ-QWHCGFSZSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CCN1C[C@H](NC(=O)c2cncs2)C(C)(C)C1 ZINC000972841938 613277765 /nfs/dbraw/zinc/27/77/65/613277765.db2.gz PPVDVCBKGLDQTE-ZDUSSCGKSA-N 0 3 293.436 2.550 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccccc2Cl)C1 ZINC000970778314 613300421 /nfs/dbraw/zinc/30/04/21/613300421.db2.gz FFXUKLSVYHCBDZ-GFCCVEGCSA-N 0 3 292.810 2.966 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC000970949426 613300525 /nfs/dbraw/zinc/30/05/25/613300525.db2.gz IAXKGVHQGINLCH-CYBMUJFWSA-N 0 3 290.382 2.782 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cscc2C)C1 ZINC000969452965 613301426 /nfs/dbraw/zinc/30/14/26/613301426.db2.gz RYLWKEXQNRMWKM-GFCCVEGCSA-N 0 3 278.421 2.683 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2sccc2C)C1 ZINC000969212674 613301464 /nfs/dbraw/zinc/30/14/64/613301464.db2.gz DOLPCBILZSKXRS-GFCCVEGCSA-N 0 3 278.421 2.683 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(CC)s2)C1 ZINC000970075736 613303198 /nfs/dbraw/zinc/30/31/98/613303198.db2.gz DAZPFIASHPITKM-LBPRGKRZSA-N 0 3 292.448 2.937 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccsc2C)C1 ZINC000969622830 613303339 /nfs/dbraw/zinc/30/33/39/613303339.db2.gz DNFRYYUJZPHFQT-NSHDSACASA-N 0 3 278.421 2.683 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC000970469657 613303543 /nfs/dbraw/zinc/30/35/43/613303543.db2.gz CNALPQSCPXBXOT-ZDUSSCGKSA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC000981473660 613307602 /nfs/dbraw/zinc/30/76/02/613307602.db2.gz HJZCGRVQCBWBQD-UHFFFAOYSA-N 0 3 286.366 2.532 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000981783079 613308894 /nfs/dbraw/zinc/30/88/94/613308894.db2.gz FBIFDSTVKNUFLE-CVEARBPZSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)Cc2cccc(C)c2)CC1 ZINC000981858821 613308951 /nfs/dbraw/zinc/30/89/51/613308951.db2.gz RXBQUYOEJIKZKW-UHFFFAOYSA-N 0 3 286.419 2.648 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968357994 613333937 /nfs/dbraw/zinc/33/39/37/613333937.db2.gz WKILKUTUSMGKKO-BLLLJJGKSA-N 0 3 289.423 2.648 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964511045 613334326 /nfs/dbraw/zinc/33/43/26/613334326.db2.gz PQZJTCRICNUMDD-XJKSGUPXSA-N 0 3 290.382 2.842 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000975045568 613337853 /nfs/dbraw/zinc/33/78/53/613337853.db2.gz VLIVMMYKAVFVIC-DZGCQCFKSA-N 0 3 290.407 2.786 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000972797993 613337893 /nfs/dbraw/zinc/33/78/93/613337893.db2.gz XHTJSULSUHMHKL-LSDHHAIUSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000974907769 613341224 /nfs/dbraw/zinc/34/12/24/613341224.db2.gz BGKNKTAFMZUWNS-ZDUSSCGKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)Cc2ccc(C)o2)C(C)(C)C1 ZINC000973047621 613341595 /nfs/dbraw/zinc/34/15/95/613341595.db2.gz LHVLOZPOKYTZKP-HNNXBMFYSA-N 0 3 290.407 2.533 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)Cc2cccs2)C(C)(C)C1 ZINC000972758341 613341664 /nfs/dbraw/zinc/34/16/64/613341664.db2.gz OEIRSRGYVBZJSO-AWEZNQCLSA-N 0 3 292.448 2.693 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)[C@@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974996482 613341697 /nfs/dbraw/zinc/34/16/97/613341697.db2.gz NBRXQXMUWDMBIV-SJORKVTESA-N 0 3 298.430 2.729 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000975045571 613341886 /nfs/dbraw/zinc/34/18/86/613341886.db2.gz 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C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001023768070 618224111 /nfs/dbraw/zinc/22/41/11/618224111.db2.gz LUMVHAGQJCFSDV-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000972778202 618234770 /nfs/dbraw/zinc/23/47/70/618234770.db2.gz QVJATBWBMVJTSB-INIZCTEOSA-N 0 3 299.418 2.637 20 30 CFEDHN C=C(Br)CN[C@H](C)c1cc(OC)ccc1O ZINC000162224681 618251744 /nfs/dbraw/zinc/25/17/44/618251744.db2.gz FCQFVIVBPGTWRU-SECBINFHSA-N 0 3 286.169 2.960 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnn(C2CCC2)c1 ZINC000926615207 618260805 /nfs/dbraw/zinc/26/08/05/618260805.db2.gz NKKLPPSXIJUQDA-MBNYWOFBSA-N 0 3 258.369 2.951 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024411888 618312827 /nfs/dbraw/zinc/31/28/27/618312827.db2.gz VZLHFGHBQMDKJG-KRWDZBQOSA-N 0 3 288.435 2.871 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C(F)F)c(F)c1 ZINC000895132754 618355616 /nfs/dbraw/zinc/35/56/16/618355616.db2.gz XCYMFHSXWMLKIM-NSHDSACASA-N 0 3 271.282 2.627 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1csc(C#N)c1 ZINC000894125960 618371962 /nfs/dbraw/zinc/37/19/62/618371962.db2.gz XJUVYWXBIXDVDQ-WCQYABFASA-N 0 3 264.394 2.745 20 30 CFEDHN COc1ccc(O)c(CNCc2ccc(C#N)cc2F)c1 ZINC000178790889 618382351 /nfs/dbraw/zinc/38/23/51/618382351.db2.gz RXSSJVGFJMPHRO-UHFFFAOYSA-N 0 3 286.306 2.701 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cnc(Cl)s2)C1 ZINC000895152406 618398514 /nfs/dbraw/zinc/39/85/14/618398514.db2.gz AEPYQPOUVUYASZ-RKDXNWHRSA-N 0 3 255.774 2.968 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cncc(C(=O)OC)c1 ZINC000931062544 618400368 /nfs/dbraw/zinc/40/03/68/618400368.db2.gz KVQLYONXUOEBSA-GASCZTMLSA-N 0 3 272.348 2.551 20 30 CFEDHN COc1cc(CNC[C@@H]2CC2(Cl)Cl)ccc1C#N ZINC000877539660 618416296 /nfs/dbraw/zinc/41/62/96/618416296.db2.gz QQTVTCWHPXDLDM-NSHDSACASA-N 0 3 285.174 2.850 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024642598 618430776 /nfs/dbraw/zinc/43/07/76/618430776.db2.gz XINRQZKBAAFSBL-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024669851 618438619 /nfs/dbraw/zinc/43/86/19/618438619.db2.gz JUPDTWQDASGSES-SFHVURJKSA-N 0 3 296.414 2.937 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CC2(Cl)Cl)cc1F ZINC000877575210 618440977 /nfs/dbraw/zinc/44/09/77/618440977.db2.gz KPWMHAGTLNLPOS-SNVBAGLBSA-N 0 3 273.138 2.981 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745306 618459904 /nfs/dbraw/zinc/45/99/04/618459904.db2.gz SPYNWOXDBYHZNE-HZPDHXFCSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954739 618464134 /nfs/dbraw/zinc/46/41/34/618464134.db2.gz NDAQLEXZPNFGCY-UHFFFAOYSA-N 0 3 289.339 2.503 20 30 CFEDHN C=CCOc1ccc(CNC[C@H]2CC(C)=NO2)cc1 ZINC000895312572 618529641 /nfs/dbraw/zinc/52/96/41/618529641.db2.gz YKJTVTRIKOQQBO-OAHLLOKOSA-N 0 3 260.337 2.506 20 30 CFEDHN C#CC1(O)CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000895382234 618560490 /nfs/dbraw/zinc/56/04/90/618560490.db2.gz ADUUMXOPVPKYAV-ONEGZZNKSA-N 0 3 275.779 2.813 20 30 CFEDHN 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C=CCCN1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001006604279 618883974 /nfs/dbraw/zinc/88/39/74/618883974.db2.gz UGYFSZZZFWJIOJ-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1COCC1(C)C ZINC000313074230 618974065 /nfs/dbraw/zinc/97/40/65/618974065.db2.gz ZTNLMZZKXXMZDM-OAHLLOKOSA-N 0 3 261.365 2.766 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001009601733 619002883 /nfs/dbraw/zinc/00/28/83/619002883.db2.gz HQWTYCIIDSKGTN-DLBZAZTESA-N 0 3 298.430 2.702 20 30 CFEDHN COC1CCC(CN2CCC[C@](C)(C#N)C2)CC1 ZINC000893525750 619036768 /nfs/dbraw/zinc/03/67/68/619036768.db2.gz UBNSXTDBHUIOBI-YMAMQOFZSA-N 0 3 250.386 2.817 20 30 CFEDHN N#CC1CCC(CNC2(c3ncccn3)CCC2)CC1 ZINC000931693016 619090185 /nfs/dbraw/zinc/09/01/85/619090185.db2.gz TUCLQNZTPVPBCV-UHFFFAOYSA-N 0 3 270.380 2.775 20 30 CFEDHN CO[C@](C)(C(=O)C(C#N)c1ccccn1)c1ccccc1 ZINC000106983767 619127375 /nfs/dbraw/zinc/12/73/75/619127375.db2.gz BMFSKGOWFILHTK-PBHICJAKSA-N 0 3 280.327 2.820 20 30 CFEDHN C[C@@](O)(CCNCC#Cc1ccccc1)c1ccccc1 ZINC000893722004 619210176 /nfs/dbraw/zinc/21/01/76/619210176.db2.gz XRZIBVJJZCWLFE-LJQANCHMSA-N 0 3 279.383 2.926 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1csc(C#N)c1 ZINC000893911848 619242288 /nfs/dbraw/zinc/24/22/88/619242288.db2.gz DXROOYDSJQGPNN-GYSYKLTISA-N 0 3 264.394 2.601 20 30 CFEDHN COc1ccc2nccc(N[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC000894271722 619299392 /nfs/dbraw/zinc/29/93/92/619299392.db2.gz IXQOUWCTUCPAJC-NWDGAFQWSA-N 0 3 267.332 2.769 20 30 CFEDHN C#CCCCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000191886152 619362341 /nfs/dbraw/zinc/36/23/41/619362341.db2.gz OCJNWDVGMIUYDX-CQSZACIVSA-N 0 3 290.432 2.805 20 30 CFEDHN CO[C@H](CNCC#Cc1ccccc1)Cc1ccccc1 ZINC000894675996 619441055 /nfs/dbraw/zinc/44/10/55/619441055.db2.gz MKOKEWZWTUZRCS-IBGZPJMESA-N 0 3 279.383 2.885 20 30 CFEDHN COC(=O)[C@H](CNCc1ccc(C#N)cc1F)CC(C)C ZINC000894789561 619464418 /nfs/dbraw/zinc/46/44/18/619464418.db2.gz DHZIZQFKRURYDX-AWEZNQCLSA-N 0 3 292.354 2.622 20 30 CFEDHN C=CCSc1ccccc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928434380 619473781 /nfs/dbraw/zinc/47/37/81/619473781.db2.gz CVMFDPIWWWHOPP-OCCSQVGLSA-N 0 3 290.432 2.787 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC2CCC3(COC3)CC2)c1 ZINC000895694211 619585017 /nfs/dbraw/zinc/58/50/17/619585017.db2.gz HWKQSXDKPWJWLE-UHFFFAOYSA-N 0 3 291.782 2.655 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc2ccccc2nc1OC ZINC000895714353 619588950 /nfs/dbraw/zinc/58/89/50/619588950.db2.gz AYNLXCJYMTTZHB-OAHLLOKOSA-N 0 3 286.375 2.660 20 30 CFEDHN C=CCC1(O)CCN(Cc2c(C)nn(CCC)c2C)CC1 ZINC000895835493 619620350 /nfs/dbraw/zinc/62/03/50/619620350.db2.gz HVQDVDNDHLWYDI-UHFFFAOYSA-N 0 3 291.439 2.813 20 30 CFEDHN CC(C)(O)[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000895932721 619638604 /nfs/dbraw/zinc/63/86/04/619638604.db2.gz YIQHPXGVFPHYDI-LBPRGKRZSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@@H]1OC[C@]2(CC[C@H](CNCC#Cc3ccccc3)O2)[C@H]1C ZINC000896055662 619662595 /nfs/dbraw/zinc/66/25/95/619662595.db2.gz WTLBUUMLGLJVIQ-RNIPGJKVSA-N 0 3 299.414 2.600 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]([C@H]3CCCO3)C2)cs1 ZINC000896060686 619663728 /nfs/dbraw/zinc/66/37/28/619663728.db2.gz NYEUDYDJYQOSFH-TZMCWYRMSA-N 0 3 262.378 2.621 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000896288012 619710898 /nfs/dbraw/zinc/71/08/98/619710898.db2.gz ZHRDVSYAJPCCEY-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN N#Cc1ccc(N[C@@H]2CCCN(C[C@@H]3CCC=CO3)C2)nc1 ZINC000896655527 619784342 /nfs/dbraw/zinc/78/43/42/619784342.db2.gz ZFUJNQXZHDZJHG-CVEARBPZSA-N 0 3 298.390 2.522 20 30 CFEDHN C=C1CCC(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC000896665911 619786950 /nfs/dbraw/zinc/78/69/50/619786950.db2.gz LKBIXJSYTXZPCM-JKSUJKDBSA-N 0 3 291.439 2.611 20 30 CFEDHN COC(=O)CCC1(NCc2ccc(C#N)o2)CCCCC1 ZINC000897337529 620000134 /nfs/dbraw/zinc/00/01/34/620000134.db2.gz WKIMOICLCAIKKS-UHFFFAOYSA-N 0 3 290.363 2.897 20 30 CFEDHN C=C(C)CN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652817 620075227 /nfs/dbraw/zinc/07/52/27/620075227.db2.gz XZEFYKORMMZNDT-CYBMUJFWSA-N 0 3 268.401 2.894 20 30 CFEDHN CCc1cccc(F)c1CNCCNc1ccc(C#N)cn1 ZINC000897396004 620094528 /nfs/dbraw/zinc/09/45/28/620094528.db2.gz DDYLXNOZMKOGDE-UHFFFAOYSA-N 0 3 298.365 2.856 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC000989207509 620237190 /nfs/dbraw/zinc/23/71/90/620237190.db2.gz NFTJHPWRYINLOF-DOTOQJQBSA-N 0 3 290.451 2.949 20 30 CFEDHN Cc1cnn(C)c1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588656 620252824 /nfs/dbraw/zinc/25/28/24/620252824.db2.gz JWJJSMAODMCZTJ-UHFFFAOYSA-N 0 3 294.402 2.980 20 30 CFEDHN CN(CCC#N)c1ccc(CNCC(C)(C)F)cc1 ZINC000865653153 620255974 /nfs/dbraw/zinc/25/59/74/620255974.db2.gz CPRFYEQRRBSGLA-UHFFFAOYSA-N 0 3 263.360 2.874 20 30 CFEDHN C[C@@H](CNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000897629274 620264050 /nfs/dbraw/zinc/26/40/50/620264050.db2.gz SXGFNRYOBBISMI-GFCCVEGCSA-N 0 3 271.389 2.983 20 30 CFEDHN COC(=O)C[C@H](NCc1csc(C#N)c1)C(C)(C)C ZINC000897887081 620298637 /nfs/dbraw/zinc/29/86/37/620298637.db2.gz NQCMGJOWYLESHB-LBPRGKRZSA-N 0 3 280.393 2.687 20 30 CFEDHN CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC000989870803 620396857 /nfs/dbraw/zinc/39/68/57/620396857.db2.gz OISPFTNGPJUJMH-AEFFLSMTSA-N 0 3 297.402 2.581 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)CC3CCCC3)CCC[C@@H]12 ZINC000989922388 620402442 /nfs/dbraw/zinc/40/24/42/620402442.db2.gz PEKJOUMFJZWHGO-AEFFLSMTSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989922703 620402516 /nfs/dbraw/zinc/40/25/16/620402516.db2.gz RNMVWDCUOQHZTI-ZFWWWQNUSA-N 0 3 276.405 2.661 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989931912 620403230 /nfs/dbraw/zinc/40/32/30/620403230.db2.gz HPLRAXBPNRAZFJ-ZBFHGGJFSA-N 0 3 274.364 2.501 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989927468 620403723 /nfs/dbraw/zinc/40/37/23/620403723.db2.gz ADEZRMZLALGAOB-HKUYNNGSSA-N 0 3 296.414 2.745 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989953691 620405296 /nfs/dbraw/zinc/40/52/96/620405296.db2.gz GSXFNAQBYPEXDN-RHSMWYFYSA-N 0 3 288.391 2.891 20 30 CFEDHN CC[C@@H](C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989970498 620406328 /nfs/dbraw/zinc/40/63/28/620406328.db2.gz SAWDMIBEJPFPCA-CQSZACIVSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(Cl)o3)CCC[C@H]12 ZINC000989958153 620406486 /nfs/dbraw/zinc/40/64/86/620406486.db2.gz QIPWFPUVSUCJFZ-SWLSCSKDSA-N 0 3 294.782 2.846 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C3CCCCCC3)CCC[C@@H]12 ZINC000990030115 620407681 /nfs/dbraw/zinc/40/76/81/620407681.db2.gz ISKSGHBHLTYLMO-AEFFLSMTSA-N 0 3 288.435 2.703 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)CC3=CCCCC3)CCC[C@@H]12 ZINC000990060055 620408326 /nfs/dbraw/zinc/40/83/26/620408326.db2.gz ZICROSLISXDLQV-AEFFLSMTSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1COC[C@H]1C1CC1 ZINC000898388435 620458164 /nfs/dbraw/zinc/45/81/64/620458164.db2.gz SZQBLJACNPFLGW-HOTGVXAUSA-N 0 3 273.376 2.766 20 30 CFEDHN C[C@]12CSC[C@H]1CN(Cc1csc(C#N)c1)C2 ZINC000898419784 620462120 /nfs/dbraw/zinc/46/21/20/620462120.db2.gz IMNDZBRDUKIKFC-YPMHNXCESA-N 0 3 264.419 2.805 20 30 CFEDHN C=CC(C)(C)NCc1ccc(OC)c(OC)c1OC ZINC000898457640 620466877 /nfs/dbraw/zinc/46/68/77/620466877.db2.gz QCUBIFQKRFBHPW-UHFFFAOYSA-N 0 3 265.353 2.767 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000899223653 620534983 /nfs/dbraw/zinc/53/49/83/620534983.db2.gz MIPKJTSDNJPHDV-HNNXBMFYSA-N 0 3 299.418 2.778 20 30 CFEDHN N#Cc1sccc1-c1cnc([C@H]2CCCN2)nc1 ZINC000899323436 620543479 /nfs/dbraw/zinc/54/34/79/620543479.db2.gz OGKSDSTUQGIIJG-LLVKDONJSA-N 0 3 256.334 2.501 20 30 CFEDHN Cc1cc(OCc2cncc(C#N)c2)c(C)c(C)n1 ZINC000902418551 621071973 /nfs/dbraw/zinc/07/19/73/621071973.db2.gz OICDBTXCIIZXEE-UHFFFAOYSA-N 0 3 253.305 2.853 20 30 CFEDHN C=CCCCN(CC)CN1C[C@@H](c2cccnc2)CC1=O ZINC000902670187 621148728 /nfs/dbraw/zinc/14/87/28/621148728.db2.gz ZGVVJXCKEGYKOR-INIZCTEOSA-N 0 3 287.407 2.643 20 30 CFEDHN C[C@@H](NC[C@@H](c1ccccc1)N(C)C)c1cc(C#N)ccn1 ZINC000902724873 621158397 /nfs/dbraw/zinc/15/83/97/621158397.db2.gz KYHPDNZDTDJEOB-KDOFPFPSSA-N 0 3 294.402 2.907 20 30 CFEDHN C[C@@H](NC[C@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902804342 621175085 /nfs/dbraw/zinc/17/50/85/621175085.db2.gz OUQLRYIALSIOIJ-DYVFJYSZSA-N 0 3 281.359 2.512 20 30 CFEDHN C=CCC[C@@H](NCc1nccn1C)[C@@]1(C)CCCCO1 ZINC000902789629 621177141 /nfs/dbraw/zinc/17/71/41/621177141.db2.gz LQGWTMPUNITPLS-GDBMZVCRSA-N 0 3 277.412 2.804 20 30 CFEDHN Cc1nc(C)c(CCN[C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902795795 621178907 /nfs/dbraw/zinc/17/89/07/621178907.db2.gz HBWMZFZYGGRBDI-JTQLQIEISA-N 0 3 286.404 2.920 20 30 CFEDHN Cc1nc(C)c(CCN[C@H](C)c2cc(C#N)ccn2)s1 ZINC000902795796 621179036 /nfs/dbraw/zinc/17/90/36/621179036.db2.gz HBWMZFZYGGRBDI-SNVBAGLBSA-N 0 3 286.404 2.920 20 30 CFEDHN CO[C@]1(C)C[C@H](N[C@H](C)c2cc(C#N)ccn2)C1(C)C ZINC000902827383 621182922 /nfs/dbraw/zinc/18/29/22/621182922.db2.gz KNTLCBKJVBRKJF-DIOULYMOSA-N 0 3 273.380 2.807 20 30 CFEDHN CC[C@@H](NCc1c[nH]nc1C)c1cccc(C#N)c1 ZINC000902873333 621194432 /nfs/dbraw/zinc/19/44/32/621194432.db2.gz YPXHPDBOZVHVPO-OAHLLOKOSA-N 0 3 254.337 2.831 20 30 CFEDHN C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902885036 621199142 /nfs/dbraw/zinc/19/91/42/621199142.db2.gz SJTFDLCCQXXMKI-SUNYJGFJSA-N 0 3 295.386 2.596 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)Cc1ccccc1 ZINC000902885035 621199172 /nfs/dbraw/zinc/19/91/72/621199172.db2.gz SJTFDLCCQXXMKI-PMUMKWKESA-N 0 3 295.386 2.596 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)N2CCC[C@H](C#N)C2)c1 ZINC000902917267 621203160 /nfs/dbraw/zinc/20/31/60/621203160.db2.gz QGSSETIXNOSKRO-CQSZACIVSA-N 0 3 286.379 2.516 20 30 CFEDHN C[C@H](NC[C@@H]1CCCCS1)c1cc(C#N)ccn1 ZINC000902947827 621212194 /nfs/dbraw/zinc/21/21/94/621212194.db2.gz MLKOAADAGIVXDJ-AAEUAGOBSA-N 0 3 261.394 2.890 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902952076 621213009 /nfs/dbraw/zinc/21/30/09/621213009.db2.gz UICJHFQLVPODAS-GXSJLCMTSA-N 0 3 274.286 2.688 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000902978940 621216544 /nfs/dbraw/zinc/21/65/44/621216544.db2.gz MCUIKXSKWFBVTG-BBRMVZONSA-N 0 3 285.391 2.610 20 30 CFEDHN CCCn1cc([C@H](C)NCC2CCC(C#N)CC2)nn1 ZINC000902981103 621217081 /nfs/dbraw/zinc/21/70/81/621217081.db2.gz HUTDVQHWBXWCHV-HSBZDZAISA-N 0 3 275.400 2.669 20 30 CFEDHN C#CCN(C(=O)Nc1ccccc1C)C1CCN(C)CC1 ZINC000902986094 621217720 /nfs/dbraw/zinc/21/77/20/621217720.db2.gz RNDOBVJERJYOAW-UHFFFAOYSA-N 0 3 285.391 2.556 20 30 CFEDHN C[C@@H](NC[C@@H](CO)C1CCCCC1)c1cc(C#N)ccn1 ZINC000903001003 621225758 /nfs/dbraw/zinc/22/57/58/621225758.db2.gz OKCOZCYZPIFYMA-CJNGLKHVSA-N 0 3 287.407 2.793 20 30 CFEDHN CO[C@H](CN[C@@H](C)c1cc(C#N)ccn1)Cc1ccccc1 ZINC000903004589 621227114 /nfs/dbraw/zinc/22/71/14/621227114.db2.gz FPXFNLGVNQSTIG-YOEHRIQHSA-N 0 3 295.386 2.862 20 30 CFEDHN Cc1ncsc1CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903008193 621228249 /nfs/dbraw/zinc/22/82/49/621228249.db2.gz LVPCLOSDDFVRON-JTQLQIEISA-N 0 3 272.377 2.612 20 30 CFEDHN C[C@H](C#N)OCCNC1(c2cccc(Cl)c2)CC1 ZINC000801939784 621228659 /nfs/dbraw/zinc/22/86/59/621228659.db2.gz SJHNHIYITCSTCS-LLVKDONJSA-N 0 3 264.756 2.847 20 30 CFEDHN C[C@H](N[C@@H](C1CC1)[C@H]1CCCCO1)c1cc(C#N)ccn1 ZINC000903043368 621232660 /nfs/dbraw/zinc/23/26/60/621232660.db2.gz XEVNUWWFVYTBAA-VUCTXSBTSA-N 0 3 285.391 2.952 20 30 CFEDHN Cc1cnc(CCN[C@H](C)c2cc(C#N)ccn2)c(C)c1 ZINC000903042978 621232874 /nfs/dbraw/zinc/23/28/74/621232874.db2.gz MPWWAFRUVKUBTC-CQSZACIVSA-N 0 3 280.375 2.858 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)NC(C)C)c1cccc(C#N)c1 ZINC000903023084 621233458 /nfs/dbraw/zinc/23/34/58/621233458.db2.gz CXGCEIYOXBGHQF-SWLSCSKDSA-N 0 3 273.380 2.512 20 30 CFEDHN CC[C@H](NCc1ccc[nH]c1=O)c1cccc(C#N)c1 ZINC000903071664 621250440 /nfs/dbraw/zinc/25/04/40/621250440.db2.gz JLTDYKXISYZGJB-HNNXBMFYSA-N 0 3 267.332 2.900 20 30 CFEDHN COc1cc([C@@H](C)NCC2(CC#N)CC2)cc([N+](=O)[O-])c1 ZINC000903166270 621272383 /nfs/dbraw/zinc/27/23/83/621272383.db2.gz ATQWEABHWZCUEX-LLVKDONJSA-N 0 3 289.335 2.948 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903179196 621276500 /nfs/dbraw/zinc/27/65/00/621276500.db2.gz NXPNBOHQSFVNSV-KMUNFCNLSA-N 0 3 292.335 2.598 20 30 CFEDHN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000903265491 621302815 /nfs/dbraw/zinc/30/28/15/621302815.db2.gz LUINBYHUHUGMOS-GTTSAUCSSA-N 0 3 274.339 2.915 20 30 CFEDHN C[C@@H](N[C@@H](CO)CCc1ccccc1)c1cc(C#N)ccn1 ZINC000903292569 621312256 /nfs/dbraw/zinc/31/22/56/621312256.db2.gz JPDLAAHCOSMLGG-RHSMWYFYSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccc(C#N)cc1F ZINC000903287529 621319220 /nfs/dbraw/zinc/31/92/20/621319220.db2.gz SYJDTIXWUACPJT-NACSMJLDSA-N 0 3 272.323 2.524 20 30 CFEDHN CO[C@]1(CN[C@@H](C)c2ccc(C#N)cc2F)CCSC1 ZINC000903314996 621328932 /nfs/dbraw/zinc/32/89/32/621328932.db2.gz RDNMTYZODSAAJX-NHYWBVRUSA-N 0 3 294.395 2.870 20 30 CFEDHN C=CCN(Cc1ccc(N)nn1)CC1CCCCC1 ZINC000904320058 621573558 /nfs/dbraw/zinc/57/35/58/621573558.db2.gz CFDNJKIDQOPWDO-UHFFFAOYSA-N 0 3 260.385 2.627 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2COC[C@H]2C)c([O-])c1 ZINC000905003174 621680145 /nfs/dbraw/zinc/68/01/45/621680145.db2.gz OUCMPRVQHFRMEI-DYZWQOHUSA-N 0 3 276.380 2.692 20 30 CFEDHN Cc1cc(C)cc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080509 621690996 /nfs/dbraw/zinc/69/09/96/621690996.db2.gz LSLZFCSYUJQQQB-NUBYWOLOSA-N 0 3 253.305 2.736 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1OC ZINC000905081500 621691421 /nfs/dbraw/zinc/69/14/21/621691421.db2.gz RGZQVNGNUKCDBB-CEXMDJMXSA-N 0 3 299.330 2.526 20 30 CFEDHN CC1/C(=C/c2cccc(OC3CC3)c2F)C(=O)c2ncnn21 ZINC000905085087 621691916 /nfs/dbraw/zinc/69/19/16/621691916.db2.gz MAXIODNWNDBJOR-PPLKPFPSSA-N 0 3 299.305 2.799 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000905087472 621693513 /nfs/dbraw/zinc/69/35/13/621693513.db2.gz YKTAQTZOCWJMED-GYBQTFJISA-N 0 3 283.331 2.826 20 30 CFEDHN CN(C)[C@H](CNC(=O)c1ccsc1C#N)c1ccccc1 ZINC000905111815 621702007 /nfs/dbraw/zinc/70/20/07/621702007.db2.gz SPIJJISLMMEQAW-CQSZACIVSA-N 0 3 299.399 2.652 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000924803762 621784826 /nfs/dbraw/zinc/78/48/26/621784826.db2.gz CJLWXBJNQDXMSE-KGLIPLIRSA-N 0 3 285.391 2.710 20 30 CFEDHN COc1c(Cl)cccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000905643873 621817131 /nfs/dbraw/zinc/81/71/31/621817131.db2.gz NYHIIHNZAVPBBI-LBPRGKRZSA-N 0 3 296.798 2.739 20 30 CFEDHN N#Cc1cc(F)ccc1-c1cnc([C@H]2CCCN2)nc1 ZINC000906171218 621943459 /nfs/dbraw/zinc/94/34/59/621943459.db2.gz QNKUSKICDQXPIQ-CQSZACIVSA-N 0 3 268.295 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC=CCCC2)CC1 ZINC000906592915 622010058 /nfs/dbraw/zinc/01/00/58/622010058.db2.gz QBZBQGBXTOITDF-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN C[C@H](NC(=O)C(C)(C)N1CCCCC1)c1cccc(C#N)c1 ZINC000906862546 622058542 /nfs/dbraw/zinc/05/85/42/622058542.db2.gz UOEBKLKSXGWOBW-AWEZNQCLSA-N 0 3 299.418 3.000 20 30 CFEDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc(C)c1C#N ZINC000906941858 622064987 /nfs/dbraw/zinc/06/49/87/622064987.db2.gz PSLUBAOPPORLMO-HIFRSBDPSA-N 0 3 297.402 2.530 20 30 CFEDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc(C)c1C#N ZINC000906941859 622065485 /nfs/dbraw/zinc/06/54/85/622065485.db2.gz PSLUBAOPPORLMO-UKRRQHHQSA-N 0 3 297.402 2.530 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000911646731 622533185 /nfs/dbraw/zinc/53/31/85/622533185.db2.gz XHUISMJZDNYUCP-AWEZNQCLSA-N 0 3 285.347 2.964 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000911907290 622581145 /nfs/dbraw/zinc/58/11/45/622581145.db2.gz WEYGJKUJGVNXKE-GFCCVEGCSA-N 0 3 277.324 2.525 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000911907291 622581427 /nfs/dbraw/zinc/58/14/27/622581427.db2.gz WEYGJKUJGVNXKE-LBPRGKRZSA-N 0 3 277.324 2.525 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccccc1Cl ZINC000911931171 622590966 /nfs/dbraw/zinc/59/09/66/622590966.db2.gz QCKVYKTYCHBETC-CYBMUJFWSA-N 0 3 266.772 2.640 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1C ZINC000911977900 622593982 /nfs/dbraw/zinc/59/39/82/622593982.db2.gz KEGOSRWOZUFDSA-LBPRGKRZSA-N 0 3 292.379 2.634 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cc(C)nn1C ZINC000911992525 622604571 /nfs/dbraw/zinc/60/45/71/622604571.db2.gz NZQSRODKHYTISW-CYBMUJFWSA-N 0 3 280.416 2.745 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1cccs1 ZINC000912082309 622621076 /nfs/dbraw/zinc/62/10/76/622621076.db2.gz TUDUVRXTWLMPNP-CYBMUJFWSA-N 0 3 266.410 2.780 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccnn1CCC(C)C ZINC000912153643 622653076 /nfs/dbraw/zinc/65/30/76/622653076.db2.gz SBEPASVXBQIEDZ-CYBMUJFWSA-N 0 3 278.400 2.551 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000912172166 622656759 /nfs/dbraw/zinc/65/67/59/622656759.db2.gz SEGKFQZWOVHMKV-INIZCTEOSA-N 0 3 286.419 2.908 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000912230488 622666251 /nfs/dbraw/zinc/66/62/51/622666251.db2.gz VHJJFNGBNKWNSJ-CYBMUJFWSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000912230871 622666379 /nfs/dbraw/zinc/66/63/79/622666379.db2.gz KADKZXHOVMFYLN-BBRMVZONSA-N 0 3 290.407 2.898 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000912264318 622668172 /nfs/dbraw/zinc/66/81/72/622668172.db2.gz ARXGTNDYMNKQPJ-GFCCVEGCSA-N 0 3 284.306 2.910 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(F)cc1OCC ZINC000912359055 622693476 /nfs/dbraw/zinc/69/34/76/622693476.db2.gz HRNYJXKNPCSCPO-LBPRGKRZSA-N 0 3 280.343 2.847 20 30 CFEDHN C=CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000912379900 622697435 /nfs/dbraw/zinc/69/74/35/622697435.db2.gz XXFHJRXDWNCEER-UHFFFAOYSA-N 0 3 257.337 2.597 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1CC(C)C ZINC000912393211 622704030 /nfs/dbraw/zinc/70/40/30/622704030.db2.gz HXXRYHIOLMTAKF-KGLIPLIRSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC[C@H](C)Oc1ccc(C)cc1 ZINC000912440330 622710905 /nfs/dbraw/zinc/71/09/05/622710905.db2.gz GJPXRUKURHIEIC-GOEBONIOSA-N 0 3 290.407 2.562 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)Nc1cnn(CC)c1 ZINC000912479717 622726787 /nfs/dbraw/zinc/72/67/87/622726787.db2.gz TYLKFLGVGCNZDG-CQSZACIVSA-N 0 3 280.416 2.919 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000912485987 622728963 /nfs/dbraw/zinc/72/89/63/622728963.db2.gz AOVMKKHSSLLDIO-FZMZJTMJSA-N 0 3 294.370 2.695 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC)c1cccc(OC)c1 ZINC000912498999 622730687 /nfs/dbraw/zinc/73/06/87/622730687.db2.gz RWIHJGLCIFSROQ-OAHLLOKOSA-N 0 3 276.380 2.732 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC000820687946 622737642 /nfs/dbraw/zinc/73/76/42/622737642.db2.gz FSPPJLWTCFNFCD-KRWDZBQOSA-N 0 3 276.424 2.584 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000820874681 622779524 /nfs/dbraw/zinc/77/95/24/622779524.db2.gz RUIVXKDMHYZXSC-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN CC[C@H](CC#N)NCC1(CNC(=O)OC(C)(C)C)CCC1 ZINC000820880989 622780869 /nfs/dbraw/zinc/78/08/69/622780869.db2.gz NBOQYBMVSDPVJV-CYBMUJFWSA-N 0 3 295.427 2.963 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCc2cccnc2)cc1 ZINC000151083930 622832637 /nfs/dbraw/zinc/83/26/37/622832637.db2.gz MKIRCAJHKCSYJJ-AWEZNQCLSA-N 0 3 266.344 2.944 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000913105516 622835168 /nfs/dbraw/zinc/83/51/68/622835168.db2.gz ZFFZOIWXFWCTNY-NVXWUHKLSA-N 0 3 286.419 2.979 20 30 CFEDHN CS[C@@H](C)CC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000156329617 622933915 /nfs/dbraw/zinc/93/39/15/622933915.db2.gz PLQFPXCCVIKJST-WCQYABFASA-N 0 3 290.388 2.784 20 30 CFEDHN C#C[C@H](OC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000821612742 622954935 /nfs/dbraw/zinc/95/49/35/622954935.db2.gz HPSVLNXRFCIPQX-KRWDZBQOSA-N 0 3 283.371 2.779 20 30 CFEDHN Cc1ncccc1CNCc1ccc(OCC#N)cc1 ZINC000171769080 623242329 /nfs/dbraw/zinc/24/23/29/623242329.db2.gz HAWCBTGZPTUPKQ-UHFFFAOYSA-N 0 3 267.332 2.582 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)CC(C)(C)C ZINC000172269353 623273327 /nfs/dbraw/zinc/27/33/27/623273327.db2.gz USBUYPRWEAMZIK-OAHLLOKOSA-N 0 3 275.392 2.585 20 30 CFEDHN CCCCCCCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000172650229 623295566 /nfs/dbraw/zinc/29/55/66/623295566.db2.gz PNQQRESMODKCHY-CQSZACIVSA-N 0 3 275.458 2.856 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCC(C#N)CC1 ZINC000929416654 623384388 /nfs/dbraw/zinc/38/43/88/623384388.db2.gz QZHYIGNFBZGZER-UHFFFAOYSA-N 0 3 253.349 2.911 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823888899 623414588 /nfs/dbraw/zinc/41/45/88/623414588.db2.gz ZTWUWSMBWDMZOW-ZJUUUORDSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823888899 623414594 /nfs/dbraw/zinc/41/45/94/623414594.db2.gz ZTWUWSMBWDMZOW-ZJUUUORDSA-N 0 3 275.331 2.621 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823894640 623415384 /nfs/dbraw/zinc/41/53/84/623415384.db2.gz VJPABOUWRKEHTF-LLVKDONJSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823894640 623415390 /nfs/dbraw/zinc/41/53/90/623415390.db2.gz VJPABOUWRKEHTF-LLVKDONJSA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894479 623416027 /nfs/dbraw/zinc/41/60/27/623416027.db2.gz RFSKTEFJWZDLSO-LBPRGKRZSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894479 623416033 /nfs/dbraw/zinc/41/60/33/623416033.db2.gz RFSKTEFJWZDLSO-LBPRGKRZSA-N 0 3 271.368 2.701 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ncc(C)cc3C)CCC[C@@H]12 ZINC000991975845 623434618 /nfs/dbraw/zinc/43/46/18/623434618.db2.gz QBUIDCFIOINNNX-QAPCUYQASA-N 0 3 299.418 2.611 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@@H]12 ZINC000992128104 623463145 /nfs/dbraw/zinc/46/31/45/623463145.db2.gz WOIAHKFHXQPFIP-QAPCUYQASA-N 0 3 299.418 2.805 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccco3)CCC[C@H]12 ZINC000992166803 623476223 /nfs/dbraw/zinc/47/62/23/623476223.db2.gz IQBRLFQQKMSLQU-JLJPHGGASA-N 0 3 288.391 2.682 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992403188 623532376 /nfs/dbraw/zinc/53/23/76/623532376.db2.gz JUKPPVZGFPTTQV-QGPMSJSTSA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992441781 623560949 /nfs/dbraw/zinc/56/09/49/623560949.db2.gz RJKZNWPZKYGGBW-SUMDDJOVSA-N 0 3 296.414 2.537 20 30 CFEDHN C#Cc1cccc(CNCc2cc(C(=O)OCC)c(C)[nH]2)c1 ZINC000825226524 623654391 /nfs/dbraw/zinc/65/43/91/623654391.db2.gz IDXZQOJJDCAQFK-UHFFFAOYSA-N 0 3 296.370 2.771 20 30 CFEDHN CCc1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000152456540 623709868 /nfs/dbraw/zinc/70/98/68/623709868.db2.gz MRUQKWUYBKCVDI-INIZCTEOSA-N 0 3 298.386 2.559 20 30 CFEDHN CCc1cccc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000152456472 623709941 /nfs/dbraw/zinc/70/99/41/623709941.db2.gz MRUQKWUYBKCVDI-MRXNPFEDSA-N 0 3 298.386 2.559 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(O[C@H](C)COC)cc1 ZINC000825878588 623764547 /nfs/dbraw/zinc/76/45/47/623764547.db2.gz RYNZAWODLZHGQH-UKRRQHHQSA-N 0 3 261.365 2.602 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993076807 623894035 /nfs/dbraw/zinc/89/40/35/623894035.db2.gz GQZSBWDUMRCBDL-STQMWFEESA-N 0 3 293.436 2.692 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC000993076799 623895275 /nfs/dbraw/zinc/89/52/75/623895275.db2.gz GQZSBWDUMRCBDL-OLZOCXBDSA-N 0 3 293.436 2.692 20 30 CFEDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000826861834 623895577 /nfs/dbraw/zinc/89/55/77/623895577.db2.gz KZPJRKYPXJKSGC-GFCCVEGCSA-N 0 3 260.337 2.526 20 30 CFEDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000826861834 623895585 /nfs/dbraw/zinc/89/55/85/623895585.db2.gz KZPJRKYPXJKSGC-GFCCVEGCSA-N 0 3 260.337 2.526 20 30 CFEDHN COc1cccc(O)c1CN1CCC[C@H](CC#N)C1 ZINC000826861834 623895592 /nfs/dbraw/zinc/89/55/92/623895592.db2.gz KZPJRKYPXJKSGC-GFCCVEGCSA-N 0 3 260.337 2.526 20 30 CFEDHN CCOCCON=C/C=C\c1ccc(N(C)C)cc1 ZINC000834968841 623912613 /nfs/dbraw/zinc/91/26/13/623912613.db2.gz IGDXLJIZXOAOTF-HSTLZJKPSA-N 0 3 262.353 2.805 20 30 CFEDHN C=CCC1(NCc2cc(F)ncc2F)CCOCC1 ZINC000827146842 623953252 /nfs/dbraw/zinc/95/32/52/623953252.db2.gz KEAMKXGCFURHTD-UHFFFAOYSA-N 0 3 268.307 2.575 20 30 CFEDHN C#Cc1cnc(NC[C@@H](c2ccc(C)o2)N2CCCC2)nc1 ZINC000827530726 624024149 /nfs/dbraw/zinc/02/41/49/624024149.db2.gz MPQCWYVNROHXMC-HNNXBMFYSA-N 0 3 296.374 2.608 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993209489 624033762 /nfs/dbraw/zinc/03/37/62/624033762.db2.gz ZQNBJZXLNHIFEZ-WBVHZDCISA-N 0 3 288.435 2.869 20 30 CFEDHN C#C[C@@H](NCc1cc2cccc(OC)c2o1)C1CCOCC1 ZINC000827569385 624034814 /nfs/dbraw/zinc/03/48/14/624034814.db2.gz AJYFNPDPMBXXCJ-MRXNPFEDSA-N 0 3 299.370 2.959 20 30 CFEDHN C#C[C@@H](NCc1c[nH]c(-c2ccccc2)n1)C1CCOCC1 ZINC000827571239 624036235 /nfs/dbraw/zinc/03/62/35/624036235.db2.gz XPXPEFYCTWWATD-QGZVFWFLSA-N 0 3 295.386 2.595 20 30 CFEDHN C#C[C@@H](NCc1cnc(-c2ccccc2)[nH]1)C1CCOCC1 ZINC000827571239 624036238 /nfs/dbraw/zinc/03/62/38/624036238.db2.gz XPXPEFYCTWWATD-QGZVFWFLSA-N 0 3 295.386 2.595 20 30 CFEDHN C#C[C@H](NCc1ccccc1OCC=C)C1CCOCC1 ZINC000827570883 624036590 /nfs/dbraw/zinc/03/65/90/624036590.db2.gz TWQZACUOSIGCSQ-KRWDZBQOSA-N 0 3 285.387 2.769 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015615869 624051326 /nfs/dbraw/zinc/05/13/26/624051326.db2.gz JOKAJAZYXNSGMQ-ZDUSSCGKSA-N 0 3 274.364 2.537 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000993233707 624055039 /nfs/dbraw/zinc/05/50/39/624055039.db2.gz LEFJYKWQOLWIQR-HOCLYGCPSA-N 0 3 290.407 2.676 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993240239 624056849 /nfs/dbraw/zinc/05/68/49/624056849.db2.gz VVNMKUXUIIQXPH-HIFRSBDPSA-N 0 3 276.380 2.747 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC000993260426 624059311 /nfs/dbraw/zinc/05/93/11/624059311.db2.gz QSZQLXJNLTVXRT-CZUORRHYSA-N 0 3 289.423 2.736 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993335471 624114750 /nfs/dbraw/zinc/11/47/50/624114750.db2.gz TYISESCGMUKAMR-UKRRQHHQSA-N 0 3 288.391 2.502 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993381090 624128695 /nfs/dbraw/zinc/12/86/95/624128695.db2.gz NCYJRSCPKHNIJD-NVXWUHKLSA-N 0 3 286.419 2.830 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993654285 624156907 /nfs/dbraw/zinc/15/69/07/624156907.db2.gz FKXIDDGVMSFYCO-HOCLYGCPSA-N 0 3 288.435 2.559 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993769747 624167500 /nfs/dbraw/zinc/16/75/00/624167500.db2.gz FCDBWFNDEJBHTM-CABCVRRESA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993823527 624170842 /nfs/dbraw/zinc/17/08/42/624170842.db2.gz YJKOTNKNEZRMFS-ZFWWWQNUSA-N 0 3 276.424 2.722 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993901815 624172545 /nfs/dbraw/zinc/17/25/45/624172545.db2.gz LMBFNOPMBJQXAI-ZBFHGGJFSA-N 0 3 289.423 2.790 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC000994035399 624177175 /nfs/dbraw/zinc/17/71/75/624177175.db2.gz FOGXNXMEQOAIJK-ZBFHGGJFSA-N 0 3 287.407 2.549 20 30 CFEDHN CN(C)c1ccc(C=NNCc2ccccc2)cc1 ZINC000916343838 624240607 /nfs/dbraw/zinc/24/06/07/624240607.db2.gz JIVSCTHIKCOIDK-UHFFFAOYSA-N 0 3 253.349 2.876 20 30 CFEDHN CC(C)CNN=Cc1ccc(N(C)CCC#N)cc1 ZINC000916365966 624241893 /nfs/dbraw/zinc/24/18/93/624241893.db2.gz NVDCOWPUUUCRRI-UHFFFAOYSA-N 0 3 258.369 2.616 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC000994399950 624292752 /nfs/dbraw/zinc/29/27/52/624292752.db2.gz LDBCIEBBWRMMMH-NVXWUHKLSA-N 0 3 286.419 2.693 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(C2CCCCC2)CC1 ZINC000917059173 624303956 /nfs/dbraw/zinc/30/39/56/624303956.db2.gz AABCTCVETAIHBB-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN CC(C)O[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000828850767 624313169 /nfs/dbraw/zinc/31/31/69/624313169.db2.gz QEXKJZRPPNLCKK-MRXNPFEDSA-N 0 3 274.364 2.588 20 30 CFEDHN N#Cc1ccc(N2CCN(CCC3=CCCCC3)CC2)cn1 ZINC000829327445 624418829 /nfs/dbraw/zinc/41/88/29/624418829.db2.gz IVAFIXDMQGYTHS-UHFFFAOYSA-N 0 3 296.418 2.966 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000829768548 624527958 /nfs/dbraw/zinc/52/79/58/624527958.db2.gz FWFFRTWZDIVJTI-OWCLPIDISA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(CC)Cc2ccccc2)C1 ZINC000829769331 624528929 /nfs/dbraw/zinc/52/89/29/624528929.db2.gz SIEUMWWDOAJZRY-QGZVFWFLSA-N 0 3 298.430 2.770 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000829769691 624529138 /nfs/dbraw/zinc/52/91/38/624529138.db2.gz ZRQXIWSLMNZZOE-QBPKDAKJSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(CC)Cc2ccccc2)C1 ZINC000829769330 624529307 /nfs/dbraw/zinc/52/93/07/624529307.db2.gz SIEUMWWDOAJZRY-KRWDZBQOSA-N 0 3 298.430 2.770 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000829785206 624536871 /nfs/dbraw/zinc/53/68/71/624536871.db2.gz RYJVDCNMGUIJQP-HNNXBMFYSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC000829789289 624539251 /nfs/dbraw/zinc/53/92/51/624539251.db2.gz RJIHQVHDZAUUCY-BBWFWOEESA-N 0 3 290.451 2.759 20 30 CFEDHN C=CC[C@@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000829865279 624571213 /nfs/dbraw/zinc/57/12/13/624571213.db2.gz JQKSQYZHOBWVAI-BXKDBHETSA-N 0 3 281.787 2.514 20 30 CFEDHN C#CC1CCN(Cc2nc3ccccc3nc2C)CC1 ZINC000830301149 624703371 /nfs/dbraw/zinc/70/33/71/624703371.db2.gz GVADCNJNDMVBSY-UHFFFAOYSA-N 0 3 265.360 2.783 20 30 CFEDHN C#CC1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000830316366 624706092 /nfs/dbraw/zinc/70/60/92/624706092.db2.gz PIKHOJACVHFBOC-UHFFFAOYSA-N 0 3 265.360 2.718 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCSC[C@@H]2C)cc1 ZINC000179662962 624972367 /nfs/dbraw/zinc/97/23/67/624972367.db2.gz PZMOPNKRZUZXJR-STQMWFEESA-N 0 3 276.405 2.915 20 30 CFEDHN C#CCOc1ccccc1CNc1cccc(N(C)C)n1 ZINC000180527206 625025951 /nfs/dbraw/zinc/02/59/51/625025951.db2.gz RZTKMLMCDLEYMK-UHFFFAOYSA-N 0 3 281.359 2.772 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN(Cc2ccncc2)C2CC2)cc1 ZINC000180761098 625038555 /nfs/dbraw/zinc/03/85/55/625038555.db2.gz JXGRZPMBZACFTQ-SFHVURJKSA-N 0 3 293.370 2.651 20 30 CFEDHN C=CCCC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC000831699809 625099698 /nfs/dbraw/zinc/09/96/98/625099698.db2.gz WRAQVTRRYIHNRJ-CYBMUJFWSA-N 0 3 264.369 2.510 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(Cl)nc1 ZINC000181343602 625118633 /nfs/dbraw/zinc/11/86/33/625118633.db2.gz APODDEOIAGLLAJ-LLVKDONJSA-N 0 3 254.761 2.978 20 30 CFEDHN CCN(C(=O)C#CC(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000832189746 625240366 /nfs/dbraw/zinc/24/03/66/625240366.db2.gz IVSQQFAVGJXZCM-SFHVURJKSA-N 0 3 298.430 2.769 20 30 CFEDHN CN1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185736403 625768451 /nfs/dbraw/zinc/76/84/51/625768451.db2.gz FODPHZDVYCOHMZ-RDJZCZTQSA-N 0 3 298.434 2.933 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000834891651 625911897 /nfs/dbraw/zinc/91/18/97/625911897.db2.gz JFUOHDRVVWFBSL-ZBINZKHDSA-N 0 3 265.328 2.916 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)c2ccccc2)CC1 ZINC000996890457 625936607 /nfs/dbraw/zinc/93/66/07/625936607.db2.gz HTTXDYMEJZSZKW-OAHLLOKOSA-N 0 3 284.403 2.540 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000997201575 625984789 /nfs/dbraw/zinc/98/47/89/625984789.db2.gz UHACBLSACPLZMM-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC000997532977 626003232 /nfs/dbraw/zinc/00/32/32/626003232.db2.gz GBUTYNKAAHSFJX-ZDUSSCGKSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997901599 626019740 /nfs/dbraw/zinc/01/97/40/626019740.db2.gz RXMDWEBGVHYIFG-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN CC#CCN1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000998121470 626032395 /nfs/dbraw/zinc/03/23/95/626032395.db2.gz QWAGFINEFSPWOK-BRWVUGGUSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2CC(C)(C)C2)C1 ZINC000998717269 626059669 /nfs/dbraw/zinc/05/96/69/626059669.db2.gz XBKFFNUKHPXZJX-UHFFFAOYSA-N 0 3 284.831 2.754 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C2C=CC=CC=C2)C1 ZINC000998844047 626062788 /nfs/dbraw/zinc/06/27/88/626062788.db2.gz ONNMWJORDDMHIM-UHFFFAOYSA-N 0 3 292.810 2.616 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)co2)C1 ZINC000999270273 626070282 /nfs/dbraw/zinc/07/02/82/626070282.db2.gz LOQUQOBTYKRRHN-UHFFFAOYSA-N 0 3 282.771 2.533 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000999541563 626075359 /nfs/dbraw/zinc/07/53/59/626075359.db2.gz PYKXUSFUWYTGTI-PFSRBDOWSA-N 0 3 296.842 2.754 20 30 CFEDHN CC(C)(C)C[C@@H](O)CNCc1csc(C#N)c1 ZINC000921755506 626109045 /nfs/dbraw/zinc/10/90/45/626109045.db2.gz RMIOVMDKCYBJKG-LLVKDONJSA-N 0 3 252.383 2.506 20 30 CFEDHN N#Cc1cc(CNC[C@H](O)c2ccsc2)cs1 ZINC000921765669 626114175 /nfs/dbraw/zinc/11/41/75/626114175.db2.gz SVYWMLRQVVWSJE-LBPRGKRZSA-N 0 3 264.375 2.504 20 30 CFEDHN COC(C)(C)CNCc1cc(C#N)ccc1Br ZINC000921790421 626124012 /nfs/dbraw/zinc/12/40/12/626124012.db2.gz IHCMMWYNMQEPDF-UHFFFAOYSA-N 0 3 297.196 2.835 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001000677809 626129570 /nfs/dbraw/zinc/12/95/70/626129570.db2.gz IQYTWAJKNCQMFF-MRXNPFEDSA-N 0 3 288.435 2.891 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001000910543 626135065 /nfs/dbraw/zinc/13/50/65/626135065.db2.gz CMNYZCMFOUEHDG-UHFFFAOYSA-N 0 3 297.402 2.507 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001001314636 626154407 /nfs/dbraw/zinc/15/44/07/626154407.db2.gz MSGLDJBNEQYHOG-IRXDYDNUSA-N 0 3 288.435 2.747 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001001430629 626157973 /nfs/dbraw/zinc/15/79/73/626157973.db2.gz GZTPRACMPGZDED-JKSUJKDBSA-N 0 3 290.451 2.520 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001799374 626163778 /nfs/dbraw/zinc/16/37/78/626163778.db2.gz DPVNXWXFWCGTJR-INIZCTEOSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001001992986 626166634 /nfs/dbraw/zinc/16/66/34/626166634.db2.gz JXBCUUKXZLQVOP-WMZOPIPTSA-N 0 3 290.451 2.520 20 30 CFEDHN C[C@@H](O)C[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921987381 626191290 /nfs/dbraw/zinc/19/12/90/626191290.db2.gz ZUFBYMKZVAOPPQ-VHSXEESVSA-N 0 3 297.196 2.570 20 30 CFEDHN N#Cc1cc(CNCCOCC(F)(F)C(F)F)cs1 ZINC000922061274 626201960 /nfs/dbraw/zinc/20/19/60/626201960.db2.gz MPYGXQIDUIRLPF-UHFFFAOYSA-N 0 3 296.289 2.626 20 30 CFEDHN C=CCSCCN[C@@H](C)c1cccc2c1OCO2 ZINC000925350471 626204630 /nfs/dbraw/zinc/20/46/30/626204630.db2.gz GCBQANVGUPIIMT-NSHDSACASA-N 0 3 265.378 2.985 20 30 CFEDHN CC[C@@H](C)[C@@H](CNCc1csc(C#N)c1)OC ZINC000922153329 626219068 /nfs/dbraw/zinc/21/90/68/626219068.db2.gz GLINZWQAJGFCHZ-ZWNOBZJWSA-N 0 3 252.383 2.770 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]c3ccccc23)CC1 ZINC001003259426 626224322 /nfs/dbraw/zinc/22/43/22/626224322.db2.gz NAPSJYDFMFDLPU-UHFFFAOYSA-N 0 3 297.402 2.938 20 30 CFEDHN CO[C@@H]([C@H](C)NCc1csc(C#N)c1)C1CC1 ZINC000922165803 626228722 /nfs/dbraw/zinc/22/87/22/626228722.db2.gz GXZCFLJZGWEOAN-ZANVPECISA-N 0 3 250.367 2.523 20 30 CFEDHN CC(C)(CC#N)CNCc1cccc2[nH]c(=O)oc21 ZINC000922178544 626231866 /nfs/dbraw/zinc/23/18/66/626231866.db2.gz PJTCGBMFZQZVQS-UHFFFAOYSA-N 0 3 259.309 2.563 20 30 CFEDHN C=CCN1CCC(NC(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001003757315 626253283 /nfs/dbraw/zinc/25/32/83/626253283.db2.gz MPUZWCGLNYVXKI-UHFFFAOYSA-N 0 3 290.451 2.969 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1csc(C#N)c1 ZINC000922264449 626256245 /nfs/dbraw/zinc/25/62/45/626256245.db2.gz DWTSPZVBYKSPOK-BLLLJJGKSA-N 0 3 286.400 2.874 20 30 CFEDHN Cc1cc(CNC(C)(C)Cc2ccc(C#N)cc2)nn1C ZINC000922602948 626322893 /nfs/dbraw/zinc/32/28/93/626322893.db2.gz FZUQCJHVYDPODS-UHFFFAOYSA-N 0 3 282.391 2.711 20 30 CFEDHN N#Cc1ccc(CNCC[C@H]2CC[C@H](C(F)(F)F)O2)o1 ZINC000922678610 626340641 /nfs/dbraw/zinc/34/06/41/626340641.db2.gz FBMQBZDSZUGYPJ-BXKDBHETSA-N 0 3 288.269 2.741 20 30 CFEDHN CCc1noc([C@H]2CC[C@H](NCc3ccc(C#N)o3)C2)n1 ZINC000922868277 626385488 /nfs/dbraw/zinc/38/54/88/626385488.db2.gz XBBYASZJTBXFHI-QWRGUYRKSA-N 0 3 286.335 2.523 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cccc(C)c2)CC1 ZINC001005069475 626408602 /nfs/dbraw/zinc/40/86/02/626408602.db2.gz LZKDSKIQYUALRA-UHFFFAOYSA-N 0 3 272.392 2.717 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ncccc2C)CC1 ZINC001005217868 626412905 /nfs/dbraw/zinc/41/29/05/626412905.db2.gz BFFWPGDRBIOCQR-UHFFFAOYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC001005576156 626417607 /nfs/dbraw/zinc/41/76/07/626417607.db2.gz SBKVRDIKWUVYDL-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001005755592 626420813 /nfs/dbraw/zinc/42/08/13/626420813.db2.gz JNVVDMDCRAPRCZ-MUJYYYPQSA-N 0 3 290.451 2.922 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(c3ccccc3)CCCO2)o1 ZINC000922962766 626434907 /nfs/dbraw/zinc/43/49/07/626434907.db2.gz UWYVDPFKVAFJEG-QGZVFWFLSA-N 0 3 282.343 2.947 20 30 CFEDHN C#CCC1(NCc2nc3ccccc3n2C)CCC1 ZINC000922997165 626440859 /nfs/dbraw/zinc/44/08/59/626440859.db2.gz GFKZHRQSGVBMOD-UHFFFAOYSA-N 0 3 253.349 2.609 20 30 CFEDHN N#Cc1cc(CN[C@H]2C[C@@](CO)(c3ccccc3)C2)cs1 ZINC000923006712 626441398 /nfs/dbraw/zinc/44/13/98/626441398.db2.gz JWSKFRGOKFXOJK-WOVMCDHWSA-N 0 3 298.411 2.802 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2Cc3ccccc3C2)CC1 ZINC001006045800 626465533 /nfs/dbraw/zinc/46/55/33/626465533.db2.gz AHTOFZVSBXEDHP-UHFFFAOYSA-N 0 3 298.430 2.510 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001006055904 626467850 /nfs/dbraw/zinc/46/78/50/626467850.db2.gz HFQWZOFHPYTCJP-UHFFFAOYSA-N 0 3 297.402 2.890 20 30 CFEDHN C#CCN(C(=O)NCCCCCCC)C1CCN(C)CC1 ZINC000923385320 626469752 /nfs/dbraw/zinc/46/97/52/626469752.db2.gz ZYQSRKADIBGBPY-UHFFFAOYSA-N 0 3 293.455 2.696 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1nn(CC)nc1C ZINC000824072969 626480417 /nfs/dbraw/zinc/48/04/17/626480417.db2.gz ADKRTRPTKFXEEZ-GFCCVEGCSA-N 0 3 250.390 2.831 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2csc(Cl)n2)CC1 ZINC001006251364 626481223 /nfs/dbraw/zinc/48/12/23/626481223.db2.gz IYAYNBIAEBFTCG-UHFFFAOYSA-N 0 3 299.827 2.519 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2oc(CC)cc2C)CC1 ZINC001006294116 626482413 /nfs/dbraw/zinc/48/24/13/626482413.db2.gz LNBKYVBGTPUHPD-UHFFFAOYSA-N 0 3 290.407 2.873 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(C)C1CCC(C)(C)CC1 ZINC000838623519 626502081 /nfs/dbraw/zinc/50/20/81/626502081.db2.gz GGKPVHAUGAHKJQ-UHFFFAOYSA-N 0 3 293.455 2.552 20 30 CFEDHN C[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788487 626506746 /nfs/dbraw/zinc/50/67/46/626506746.db2.gz VEKLMDYRTOEGQL-ONGXEEELSA-N 0 3 298.264 2.922 20 30 CFEDHN C#C[C@H](C)N[C@@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000839088225 626524165 /nfs/dbraw/zinc/52/41/65/626524165.db2.gz PJGRUPSWJMVFNW-LCGIIJARSA-N 0 3 275.417 2.936 20 30 CFEDHN C=CCN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839160867 626531308 /nfs/dbraw/zinc/53/13/08/626531308.db2.gz VISZXOOASWIIRK-OAHLLOKOSA-N 0 3 267.319 2.896 20 30 CFEDHN C#CCOCCN(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000839531395 626541254 /nfs/dbraw/zinc/54/12/54/626541254.db2.gz JYKOOJGXWCGAHP-UHFFFAOYSA-N 0 3 287.281 2.667 20 30 CFEDHN C#CC[C@@H](NCc1nc(C)ccc1O)c1ccccc1 ZINC000756996829 626543269 /nfs/dbraw/zinc/54/32/69/626543269.db2.gz SCWXGSNBKSLFJL-OAHLLOKOSA-N 0 3 266.344 2.950 20 30 CFEDHN Cc1ccnc(C2CCN([C@H](C)CCC#N)CC2)n1 ZINC000839556134 626546261 /nfs/dbraw/zinc/54/62/61/626546261.db2.gz KHMRPKQKUFMWTH-CYBMUJFWSA-N 0 3 258.369 2.657 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000839564465 626546810 /nfs/dbraw/zinc/54/68/10/626546810.db2.gz QMNFJLKCSKBTCD-NSHDSACASA-N 0 3 294.786 2.665 20 30 CFEDHN CN(CC(=O)NCCC#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000839651292 626549432 /nfs/dbraw/zinc/54/94/32/626549432.db2.gz SKCQBIFUYBARPH-DLBZAZTESA-N 0 3 299.418 2.674 20 30 CFEDHN C#CCN(C[C@H]1COc2ccccc2O1)C1CCCC1 ZINC000757419576 626551274 /nfs/dbraw/zinc/55/12/74/626551274.db2.gz WOSHOVHKMQRMPQ-HNNXBMFYSA-N 0 3 271.360 2.704 20 30 CFEDHN C#CC[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1 ZINC000757618042 626556537 /nfs/dbraw/zinc/55/65/37/626556537.db2.gz PIAJKGMIFLQBSN-ZOBUZTSGSA-N 0 3 284.403 2.740 20 30 CFEDHN CC(C)CN(Cn1cccc(C#N)c1=O)CC(C)(C)C ZINC000758234119 626584385 /nfs/dbraw/zinc/58/43/85/626584385.db2.gz BVBGOEKZPNDXRS-UHFFFAOYSA-N 0 3 275.396 2.682 20 30 CFEDHN CCCCCCCCCCN(C)[C@H]1CCNC1=O ZINC000759437251 626658710 /nfs/dbraw/zinc/65/87/10/626658710.db2.gz NEBPLQFLUYMMJT-AWEZNQCLSA-N 0 3 254.418 2.947 20 30 CFEDHN C=CCCCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000805184162 626677179 /nfs/dbraw/zinc/67/71/79/626677179.db2.gz OPTIPUXACKKNQK-CQSZACIVSA-N 0 3 279.428 2.659 20 30 CFEDHN C[C@@H](OC1CCCCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760359901 626739834 /nfs/dbraw/zinc/73/98/34/626739834.db2.gz VHJZDOCZHPTABL-OCCSQVGLSA-N 0 3 287.363 2.781 20 30 CFEDHN C#CCOCCN1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000851777224 634523060 /nfs/dbraw/zinc/52/30/60/634523060.db2.gz LTITVEWSVBHSSC-ZBFHGGJFSA-N 0 3 275.417 2.815 20 30 CFEDHN Cn1cc(N=NC2CN(Cc3ccccc3)C(C)(C)C2)cn1 ZINC000761867290 626867027 /nfs/dbraw/zinc/86/70/27/626867027.db2.gz PSQOJTISQLBVFM-UHFFFAOYSA-N 0 3 297.406 2.873 20 30 CFEDHN CC#CC(=O)N(CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000764471958 627063101 /nfs/dbraw/zinc/06/31/01/627063101.db2.gz JSGAXELCGPYFER-GOSISDBHSA-N 0 3 298.430 2.913 20 30 CFEDHN Cc1cccc(CNN=Cc2ccc(N(C)CCO)cc2)c1 ZINC000764715638 627087229 /nfs/dbraw/zinc/08/72/29/627087229.db2.gz RIVGRVLIXJEXNV-UHFFFAOYSA-N 0 3 297.402 2.547 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCc2cc(C)[nH]n2)cc1 ZINC000766082704 627176259 /nfs/dbraw/zinc/17/62/59/627176259.db2.gz BELGLPNWMKUUPN-CYBMUJFWSA-N 0 3 269.348 2.581 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766574260 627209811 /nfs/dbraw/zinc/20/98/11/627209811.db2.gz XBHFQRAGHHWJRS-NXEZZACHSA-N 0 3 289.347 2.908 20 30 CFEDHN N#CCCNC(=O)CN1CCC[C@H]1CCC1CCCCC1 ZINC000767902001 627293301 /nfs/dbraw/zinc/29/33/01/627293301.db2.gz KJQNQXNXZVGEGM-INIZCTEOSA-N 0 3 291.439 2.841 20 30 CFEDHN N#CCCNC(=O)CN1CCC[C@@H]1CCCc1ccccc1 ZINC000767909021 627294018 /nfs/dbraw/zinc/29/40/18/627294018.db2.gz YCDNKTXZGLNPIL-KRWDZBQOSA-N 0 3 299.418 2.504 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000769033717 627397656 /nfs/dbraw/zinc/39/76/56/627397656.db2.gz MLPFABPUQOVVMH-WMLDXEAASA-N 0 3 288.391 2.978 20 30 CFEDHN C#CCN(CC)Cc1cc(Br)cc(OC)c1O ZINC000769107243 627403704 /nfs/dbraw/zinc/40/37/04/627403704.db2.gz UUYQTYHOCWDMCL-UHFFFAOYSA-N 0 3 298.180 2.618 20 30 CFEDHN C#CCN(CC#C)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000769475321 627446045 /nfs/dbraw/zinc/44/60/45/627446045.db2.gz KIIDGWHGOSLWPT-AWEZNQCLSA-N 0 3 273.351 2.581 20 30 CFEDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC(C)(C)C#N ZINC000769553238 627454934 /nfs/dbraw/zinc/45/49/34/627454934.db2.gz GISBNGBJNYUXIF-RYUDHWBXSA-N 0 3 283.416 2.818 20 30 CFEDHN CC(=NNCCN1CCCCC1)c1ccccc1N(C)C ZINC000769570967 627457263 /nfs/dbraw/zinc/45/72/63/627457263.db2.gz VMFYLOOWNRUZJV-UHFFFAOYSA-N 0 3 288.439 2.552 20 30 CFEDHN C#CCOCCN[C@H](CC)c1ccccc1OCC ZINC000851897647 634578248 /nfs/dbraw/zinc/57/82/48/634578248.db2.gz QJXCSOLVMCKPFH-OAHLLOKOSA-N 0 3 261.365 2.776 20 30 CFEDHN CCN1CC[C@@H](N(C)c2snc(Cl)c2C#N)C[C@H]1C ZINC000771223654 627585755 /nfs/dbraw/zinc/58/57/55/627585755.db2.gz NQBPEKFVWXMCTA-NXEZZACHSA-N 0 3 298.843 2.977 20 30 CFEDHN C[C@@H](CC#N)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000771891368 627644163 /nfs/dbraw/zinc/64/41/63/627644163.db2.gz YYPDYIXQLRNMEE-ZFWWWQNUSA-N 0 3 262.401 2.663 20 30 CFEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)sc1C ZINC000774042785 627880819 /nfs/dbraw/zinc/88/08/19/627880819.db2.gz KLDGFXKUTCLHJW-GFCCVEGCSA-N 0 3 299.355 2.721 20 30 CFEDHN CC[C@@H](NC1COC(C)(C)OC1)c1ccc(C#N)cc1 ZINC000774347862 627917612 /nfs/dbraw/zinc/91/76/12/627917612.db2.gz LGGBAPQRBAONBV-OAHLLOKOSA-N 0 3 274.364 2.750 20 30 CFEDHN C#C[C@H](N[C@H]1CCc2c1cccc2C)[C@H]1CCCO1 ZINC000775571675 628039843 /nfs/dbraw/zinc/03/98/43/628039843.db2.gz JDFTYPLDCITRBJ-YESZJQIVSA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CCCO1 ZINC000775575351 628041990 /nfs/dbraw/zinc/04/19/90/628041990.db2.gz WAKYZHLJGKCGTC-FHLIZLRMSA-N 0 3 295.386 2.704 20 30 CFEDHN C#CCCN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000775835809 628073979 /nfs/dbraw/zinc/07/39/79/628073979.db2.gz ARPLTNKUNSLMBO-KKUMJFAQSA-N 0 3 277.408 2.985 20 30 CFEDHN C#CCCOc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000775985158 628091022 /nfs/dbraw/zinc/09/10/22/628091022.db2.gz KCWCKXLJINZXLP-JKSUJKDBSA-N 0 3 286.419 2.613 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)CCCc1ccccc1 ZINC000776076281 628099448 /nfs/dbraw/zinc/09/94/48/628099448.db2.gz DWVDVBZGPKBIRH-HOCLYGCPSA-N 0 3 298.386 2.656 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(F)c1F ZINC000776185876 628112935 /nfs/dbraw/zinc/11/29/35/628112935.db2.gz GGJDLKUDGFSRAO-UHFFFAOYSA-N 0 3 276.290 2.872 20 30 CFEDHN C[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CCO1 ZINC000776512676 628154726 /nfs/dbraw/zinc/15/47/26/628154726.db2.gz TZZPRUNFDZXKTM-GRYCIOLGSA-N 0 3 284.315 2.819 20 30 CFEDHN C[C@H](NCCOC1CCC1)c1ccc(C#N)c(F)c1 ZINC000777120492 628201628 /nfs/dbraw/zinc/20/16/28/628201628.db2.gz IXRLTOGBAXMTAM-NSHDSACASA-N 0 3 262.328 2.917 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC(O)(CC)CC ZINC000778160297 628281583 /nfs/dbraw/zinc/28/15/83/628281583.db2.gz CHCOWDBGXILTBN-UHFFFAOYSA-N 0 3 295.810 2.993 20 30 CFEDHN C=CCN(C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000778160284 628281595 /nfs/dbraw/zinc/28/15/95/628281595.db2.gz BTTZEOQXCYQBGR-LLVKDONJSA-N 0 3 285.372 2.590 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)CC ZINC000778167280 628282384 /nfs/dbraw/zinc/28/23/84/628282384.db2.gz GHQZSIRBBCOZEU-OAHLLOKOSA-N 0 3 281.783 2.603 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(CC)C1CCCCC1 ZINC000852098454 634651720 /nfs/dbraw/zinc/65/17/20/634651720.db2.gz NZBAVCAMBXABLK-INIZCTEOSA-N 0 3 264.413 2.559 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000852098513 634652123 /nfs/dbraw/zinc/65/21/23/634652123.db2.gz PABXNXHDLZAVAB-IIDMSEBBSA-N 0 3 286.419 2.686 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000852098053 634652127 /nfs/dbraw/zinc/65/21/27/634652127.db2.gz DLYPLZCJJMSSLD-QZTJIDSGSA-N 0 3 286.419 2.891 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000852098812 634653467 /nfs/dbraw/zinc/65/34/67/634653467.db2.gz WUJFAQBOTFIYSQ-KNCOVGOOSA-N 0 3 264.413 2.556 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000852101172 634655014 /nfs/dbraw/zinc/65/50/14/634655014.db2.gz NNTAVOQWGKNBAU-MSOLQXFVSA-N 0 3 284.403 2.645 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(C)C)c1 ZINC000780287596 628451359 /nfs/dbraw/zinc/45/13/59/628451359.db2.gz MZAKWFLGOKXTGT-CYBMUJFWSA-N 0 3 258.365 2.583 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1CCSC1 ZINC000782186679 628611894 /nfs/dbraw/zinc/61/18/94/628611894.db2.gz ZHHFTBFAOKZKFC-NSHDSACASA-N 0 3 258.350 2.532 20 30 CFEDHN COC(=O)c1ccc(N=NC2C[C@@H](C)N(C)C2)cc1Cl ZINC000782238495 628618438 /nfs/dbraw/zinc/61/84/38/628618438.db2.gz PLQVDCMIPKEWDI-SECBINFHSA-N 0 3 295.770 2.619 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CCCCS1 ZINC000783348989 628700366 /nfs/dbraw/zinc/70/03/66/628700366.db2.gz BFCNHDVAKWMMTN-CHWSQXEVSA-N 0 3 288.372 2.620 20 30 CFEDHN CC(C)[C@H](F)C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000784488474 628820991 /nfs/dbraw/zinc/82/09/91/628820991.db2.gz KBEYPTYSGPZHPK-CABZTGNLSA-N 0 3 259.284 2.733 20 30 CFEDHN C#CCOCCNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000852214761 634692881 /nfs/dbraw/zinc/69/28/81/634692881.db2.gz HNYOCOPKCHZYSD-UHFFFAOYSA-N 0 3 283.293 2.934 20 30 CFEDHN CC#CCN1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794108 628929168 /nfs/dbraw/zinc/92/91/68/628929168.db2.gz QLTLJPONIXADIF-KRWDZBQOSA-N 0 3 292.423 2.733 20 30 CFEDHN C(CC[C@@H]1CCOC1)=Nn1cnnc1-c1ccccc1 ZINC000786038881 628932325 /nfs/dbraw/zinc/93/23/25/628932325.db2.gz RZDUTCZKFLREFP-CYBMUJFWSA-N 0 3 270.336 2.596 20 30 CFEDHN N#CC(C(=O)[C@H]1CCCOCC1)c1nc2ccccc2[nH]1 ZINC000786273981 628946156 /nfs/dbraw/zinc/94/61/56/628946156.db2.gz CNJHYKWFXYJMKA-RYUDHWBXSA-N 0 3 283.331 2.556 20 30 CFEDHN COC(C)(C)CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000786327821 628948298 /nfs/dbraw/zinc/94/82/98/628948298.db2.gz IVMAWRHXCHUOGS-JTQLQIEISA-N 0 3 272.304 2.819 20 30 CFEDHN CC(C)(C#N)CC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000786402501 628954456 /nfs/dbraw/zinc/95/44/56/628954456.db2.gz ZJZPWVZRSTWNBL-OAHLLOKOSA-N 0 3 286.375 2.744 20 30 CFEDHN CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547697 628967684 /nfs/dbraw/zinc/96/76/84/628967684.db2.gz VZXOLZISFTUEGF-ZDUSSCGKSA-N 0 3 292.766 2.855 20 30 CFEDHN C=C(Cl)COC(=O)CCN1CCc2ccccc2C1 ZINC000786818956 628980952 /nfs/dbraw/zinc/98/09/52/628980952.db2.gz WRDNVQCBLVLMNT-UHFFFAOYSA-N 0 3 279.767 2.731 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000787067995 628990958 /nfs/dbraw/zinc/99/09/58/628990958.db2.gz LKCURKWHDDYMAT-GJZGRUSLSA-N 0 3 296.370 2.544 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787074739 628991629 /nfs/dbraw/zinc/99/16/29/628991629.db2.gz XNLZEGJHDIGCRO-CZUORRHYSA-N 0 3 298.386 2.790 20 30 CFEDHN C#CCCN1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827141 628993924 /nfs/dbraw/zinc/99/39/24/628993924.db2.gz NREFPSMJPUFURX-INIZCTEOSA-N 0 3 292.423 2.923 20 30 CFEDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000787298497 629005182 /nfs/dbraw/zinc/00/51/82/629005182.db2.gz ASYKORHFVBOUSO-NEPJUHHUSA-N 0 3 291.420 2.658 20 30 CFEDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000787298502 629005427 /nfs/dbraw/zinc/00/54/27/629005427.db2.gz ASYKORHFVBOUSO-VXGBXAGGSA-N 0 3 291.420 2.658 20 30 CFEDHN CC(=NN[C@@H](CO)c1ccccc1)c1ccccc1N(C)C ZINC000788458021 629070783 /nfs/dbraw/zinc/07/07/83/629070783.db2.gz SBVRMNDASWMAQL-KRWDZBQOSA-N 0 3 297.402 2.800 20 30 CFEDHN C[C@H](C#N)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000805899258 629179875 /nfs/dbraw/zinc/17/98/75/629179875.db2.gz OLFHOJJDPBXHAG-CYBMUJFWSA-N 0 3 272.348 2.599 20 30 CFEDHN CCC(CC)CNN=Cc1ccc(N(C)CC)nc1 ZINC000790176924 629216290 /nfs/dbraw/zinc/21/62/90/629216290.db2.gz WCMWIHFNBFYDDV-UHFFFAOYSA-N 0 3 262.401 2.897 20 30 CFEDHN Cc1ccc(CN=Nc2nccn2C)cc1Br ZINC000790303237 629229034 /nfs/dbraw/zinc/22/90/34/629229034.db2.gz RNMGAKDRJVQQAD-UHFFFAOYSA-N 0 3 293.168 2.937 20 30 CFEDHN Cc1ccccc1[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000852319459 634718723 /nfs/dbraw/zinc/71/87/23/634718723.db2.gz NGKKXIDQSVNQSE-HOCLYGCPSA-N 0 3 258.365 2.654 20 30 CFEDHN Cc1ccccc1[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000852319457 634719552 /nfs/dbraw/zinc/71/95/52/634719552.db2.gz NGKKXIDQSVNQSE-GDBMZVCRSA-N 0 3 258.365 2.654 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(Cl)cc1)[C@@H](C)COC ZINC000852356858 634731437 /nfs/dbraw/zinc/73/14/37/634731437.db2.gz QCLLYIXMOJYNHE-WFASDCNBSA-N 0 3 283.799 2.896 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2nccc3ccccc32)CCCO1 ZINC000792106176 629398268 /nfs/dbraw/zinc/39/82/68/629398268.db2.gz PLAJZUIECNAWLJ-PBHICJAKSA-N 0 3 280.327 2.980 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CC[C@H](C(=O)OC)C1 ZINC000792200080 629408957 /nfs/dbraw/zinc/40/89/57/629408957.db2.gz IBHDLZNAAGRKQC-ZFWWWQNUSA-N 0 3 289.375 2.683 20 30 CFEDHN C=CC(C)(C)C(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000835109627 629414736 /nfs/dbraw/zinc/41/47/36/629414736.db2.gz MZTRRQBPIMRTDN-SECBINFHSA-N 0 3 292.360 2.708 20 30 CFEDHN CCCCCCCCCN1CCC(O)(C(=O)OC)CC1 ZINC000792270022 629415239 /nfs/dbraw/zinc/41/52/39/629415239.db2.gz ZRRJZWNQWZHGAA-UHFFFAOYSA-N 0 3 285.428 2.737 20 30 CFEDHN C#CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2[O-])cc1 ZINC000793387310 629535780 /nfs/dbraw/zinc/53/57/80/629535780.db2.gz CPHADPVQHGIYEA-UHFFFAOYSA-N 0 3 297.354 2.703 20 30 CFEDHN C=CCCCCC[C@H](C)NCc1nnc2n1CCC2 ZINC000793524929 629561890 /nfs/dbraw/zinc/56/18/90/629561890.db2.gz MNSWYILRWBCMQK-ZDUSSCGKSA-N 0 3 262.401 2.839 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)c1ccc(Br)cc1 ZINC000794574215 629663496 /nfs/dbraw/zinc/66/34/96/629663496.db2.gz CBTYDUVTYSPPPB-ZDUSSCGKSA-N 0 3 296.208 2.826 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794667456 629672109 /nfs/dbraw/zinc/67/21/09/629672109.db2.gz IDYRIOKPEMEBPX-QRVBRYPASA-N 0 3 297.398 2.988 20 30 CFEDHN CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C)cc1[O-] ZINC000794805186 629687939 /nfs/dbraw/zinc/68/79/39/629687939.db2.gz GEAYTVNWNMRZFI-MRXNPFEDSA-N 0 3 287.407 2.729 20 30 CFEDHN C#CCCN1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796572793 629936512 /nfs/dbraw/zinc/93/65/12/629936512.db2.gz SVJNTOKCUMAYJY-CVEARBPZSA-N 0 3 292.423 2.733 20 30 CFEDHN CC(C)(C)c1cnc(C(C#N)C(=O)C2(C)COC2)s1 ZINC000797566765 630082587 /nfs/dbraw/zinc/08/25/87/630082587.db2.gz AJTVIPFSVSQOLA-SECBINFHSA-N 0 3 278.377 2.653 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CNCC(C)(C)C#N)C1 ZINC000798951682 630264171 /nfs/dbraw/zinc/26/41/71/630264171.db2.gz IJPWWNXWVSSIPF-INIZCTEOSA-N 0 3 295.427 2.773 20 30 CFEDHN CC1(C)CCc2ccccc2[C@@H](NCC(=O)NCCC#N)C1 ZINC000799339049 630300938 /nfs/dbraw/zinc/30/09/38/630300938.db2.gz IETAOSBONSCAAX-INIZCTEOSA-N 0 3 299.418 2.710 20 30 CFEDHN N#Cc1ccccc1/C=C/C(=O)OCCN1CCCCC1 ZINC000799645158 630327579 /nfs/dbraw/zinc/32/75/79/630327579.db2.gz TVBCCUQDBNWTCN-CMDGGOBGSA-N 0 3 284.359 2.601 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H](C)COC(C)C ZINC000800238877 630362567 /nfs/dbraw/zinc/36/25/67/630362567.db2.gz ZLLBKIMXBPRFLJ-AWEZNQCLSA-N 0 3 261.365 2.602 20 30 CFEDHN COc1ccc([C@H]2CCCN2CCO[C@H](C)C#N)cc1 ZINC000801911566 630485383 /nfs/dbraw/zinc/48/53/83/630485383.db2.gz MOGZHXCZRKVIDS-CZUORRHYSA-N 0 3 274.364 2.761 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(c2ccccc2F)CC1 ZINC000801921690 630487820 /nfs/dbraw/zinc/48/78/20/630487820.db2.gz JQZJKKXPMPRGFC-ZDUSSCGKSA-N 0 3 276.355 2.934 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000801922232 630488549 /nfs/dbraw/zinc/48/85/49/630488549.db2.gz UFCVDFFSMUITCH-ZDUSSCGKSA-N 0 3 292.354 2.598 20 30 CFEDHN C[C@@H](C#N)OCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000801930069 630490094 /nfs/dbraw/zinc/49/00/94/630490094.db2.gz DHNPZJJUJYOUJE-ZDUSSCGKSA-N 0 3 296.374 2.581 20 30 CFEDHN C[C@@H](NCCO[C@@H](C)C#N)c1ccccc1OC(F)F ZINC000801937577 630491835 /nfs/dbraw/zinc/49/18/35/630491835.db2.gz QBVGTRUEFSDMOB-WDEREUQCSA-N 0 3 284.306 2.867 20 30 CFEDHN CC[C@H](NCCO[C@H](C)C#N)c1cc(F)ccc1F ZINC000801939757 630492760 /nfs/dbraw/zinc/49/27/60/630492760.db2.gz RRJZANXWZOOYCC-YGRLFVJLSA-N 0 3 268.307 2.934 20 30 CFEDHN COC[C@@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000801952402 630495019 /nfs/dbraw/zinc/49/50/19/630495019.db2.gz VXAHRZXOYCQWPF-BXUZGUMPSA-N 0 3 282.771 2.546 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000801953857 630495183 /nfs/dbraw/zinc/49/51/83/630495183.db2.gz XPCZSEHKZKERGT-XJKSGUPXSA-N 0 3 276.355 2.718 20 30 CFEDHN COC[C@H](NCCO[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000801952404 630495322 /nfs/dbraw/zinc/49/53/22/630495322.db2.gz VXAHRZXOYCQWPF-RISCZKNCSA-N 0 3 282.771 2.546 20 30 CFEDHN C#CCCN1CCC(F)(c2cc(OC)cc(OC)c2)CC1 ZINC000801966005 630495995 /nfs/dbraw/zinc/49/59/95/630495995.db2.gz HOKLSEBFHLNBMZ-UHFFFAOYSA-N 0 3 291.366 2.988 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OCCC)cc1 ZINC000852750995 634824410 /nfs/dbraw/zinc/82/44/10/634824410.db2.gz LWDLPUFHWAFZDC-UHFFFAOYSA-N 0 3 275.392 2.947 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(Cl)c(F)c1 ZINC000852748488 634823192 /nfs/dbraw/zinc/82/31/92/634823192.db2.gz AWVNWKLHVZPWSU-UHFFFAOYSA-N 0 3 269.747 2.951 20 30 CFEDHN C#C[C@H](NC(=O)CN(CC)CC)c1ccc(Cl)cc1F ZINC000804422691 630680812 /nfs/dbraw/zinc/68/08/12/630680812.db2.gz VSTMNZRMBCSGJA-AWEZNQCLSA-N 0 3 296.773 2.611 20 30 CFEDHN C=CCN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000102400432 630798399 /nfs/dbraw/zinc/79/83/99/630798399.db2.gz HFGBUAZDJKQZRQ-STQMWFEESA-N 0 3 268.401 2.940 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000855360188 635517758 /nfs/dbraw/zinc/51/77/58/635517758.db2.gz IVUWDJWVCGGZDH-HUUCEWRRSA-N 0 3 297.443 2.510 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000808445026 630993264 /nfs/dbraw/zinc/99/32/64/630993264.db2.gz MNMQTSSBSYRCCI-PXAZEXFGSA-N 0 3 284.334 2.909 20 30 CFEDHN O=C(C#CC1CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000837390770 631019072 /nfs/dbraw/zinc/01/90/72/631019072.db2.gz KNDOAXBLPMYNBM-SFHVURJKSA-N 0 3 296.414 2.743 20 30 CFEDHN N#C[C@H]1CC[C@@H](COC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000809086969 631076140 /nfs/dbraw/zinc/07/61/40/631076140.db2.gz KSDCBOSVFKKGMC-OKILXGFUSA-N 0 3 290.407 2.734 20 30 CFEDHN CN(CCOC(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000837676278 631105147 /nfs/dbraw/zinc/10/51/47/631105147.db2.gz LVQXUSHXPRYCLT-UHFFFAOYSA-N 0 3 274.364 2.601 20 30 CFEDHN C=CCC1(CNC(=S)NC2CCN(C)CC2)CCCC1 ZINC000840812970 631229007 /nfs/dbraw/zinc/22/90/07/631229007.db2.gz JCMUJMFBKVJOKJ-UHFFFAOYSA-N 0 3 295.496 2.681 20 30 CFEDHN COc1ccc([C@H]2CCCCCN2C[C@H](O)CC#N)cc1 ZINC000809571095 631236937 /nfs/dbraw/zinc/23/69/37/631236937.db2.gz JQMSXIHLMGXOFU-NVXWUHKLSA-N 0 3 288.391 2.887 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000809583369 631241197 /nfs/dbraw/zinc/24/11/97/631241197.db2.gz GNVYOIOWJKXRQL-KRWDZBQOSA-N 0 3 278.355 2.716 20 30 CFEDHN C#C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)C(C)C ZINC000809684423 631261560 /nfs/dbraw/zinc/26/15/60/631261560.db2.gz BNAISHQGPVNSQE-OAHLLOKOSA-N 0 3 253.349 2.824 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC)c(OCCCC)c1 ZINC000809683769 631261752 /nfs/dbraw/zinc/26/17/52/631261752.db2.gz OMMRQVVDRNWCRD-ZDUSSCGKSA-N 0 3 261.365 2.985 20 30 CFEDHN C#C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000809685770 631262823 /nfs/dbraw/zinc/26/28/23/631262823.db2.gz QBLKFQDEAGNZJQ-LBPRGKRZSA-N 0 3 266.728 2.996 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840944900 631274974 /nfs/dbraw/zinc/27/49/74/631274974.db2.gz JQJRSZCNHVNQKU-LBPRGKRZSA-N 0 3 275.348 2.512 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840944899 631275146 /nfs/dbraw/zinc/27/51/46/631275146.db2.gz JQJRSZCNHVNQKU-GFCCVEGCSA-N 0 3 275.348 2.512 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NNCCc1ccccn1 ZINC000841636053 631439897 /nfs/dbraw/zinc/43/98/97/631439897.db2.gz FNKVNZPJZKHZAV-UHFFFAOYSA-N 0 3 282.391 2.622 20 30 CFEDHN C[C@H](O)CN(C)N=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000841653667 631444463 /nfs/dbraw/zinc/44/44/63/631444463.db2.gz PXQOUHUJPRPNKD-NZORMZDDSA-N 0 3 287.407 2.596 20 30 CFEDHN C[C@@H](c1cccnc1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153493 631554906 /nfs/dbraw/zinc/55/49/06/631554906.db2.gz NWUUHGUWFYIUBU-SUMWQHHRSA-N 0 3 281.359 2.680 20 30 CFEDHN C#CC[C@H]1CCCN(Cn2nccc2-c2cccnc2)C1 ZINC000842630048 631685411 /nfs/dbraw/zinc/68/54/11/631685411.db2.gz WFNMLXQMZAYCFJ-HNNXBMFYSA-N 0 3 280.375 2.638 20 30 CFEDHN N#CC(C(=O)NCc1ccccc1)C(=O)C1CC2(CCC2)C1 ZINC000842685006 631706160 /nfs/dbraw/zinc/70/61/60/631706160.db2.gz QYZKLXJBVPPGDE-OAHLLOKOSA-N 0 3 296.370 2.592 20 30 CFEDHN N#CCCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000813059536 631822468 /nfs/dbraw/zinc/82/24/68/631822468.db2.gz BNRBMAYOXCNOLL-JTQLQIEISA-N 0 3 289.722 2.681 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCC#N)cc1 ZINC000813059606 631822603 /nfs/dbraw/zinc/82/26/03/631822603.db2.gz CZNOZOUEDFEJAU-AWEZNQCLSA-N 0 3 283.331 2.590 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCCC#N)c1ccccc1 ZINC000813091328 631832475 /nfs/dbraw/zinc/83/24/75/631832475.db2.gz WBCQAUUPEFYZBZ-GJZGRUSLSA-N 0 3 297.358 2.657 20 30 CFEDHN C=CC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813102012 631837797 /nfs/dbraw/zinc/83/77/97/631837797.db2.gz MUYRWZALFHKUHX-AAEUAGOBSA-N 0 3 263.293 2.555 20 30 CFEDHN CC(C)CN(CCC#N)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813426115 631919811 /nfs/dbraw/zinc/91/98/11/631919811.db2.gz YXUOETXFEKRSKR-INIZCTEOSA-N 0 3 297.418 2.597 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843425140 631954482 /nfs/dbraw/zinc/95/44/82/631954482.db2.gz FPJMFEPLQHKPKV-SFHVURJKSA-N 0 3 299.418 2.527 20 30 CFEDHN CC[C@@H](SC)C(=O)C(C#N)c1nc(C)cs1 ZINC000156247171 650049495 /nfs/dbraw/zinc/04/94/95/650049495.db2.gz LYMIKFPOLRGTDC-RKDXNWHRSA-N 0 3 254.380 2.769 20 30 CFEDHN Cc1[nH]cnc1C=NNc1ccc(F)c(F)c1F ZINC000814946049 632178075 /nfs/dbraw/zinc/17/80/75/632178075.db2.gz CXXUTWGBYAVRBT-UHFFFAOYSA-N 0 3 254.215 2.581 20 30 CFEDHN N#CCCCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844372648 632182795 /nfs/dbraw/zinc/18/27/95/632182795.db2.gz BGJJLCPSRVLQFM-OAHLLOKOSA-N 0 3 278.783 2.927 20 30 CFEDHN CC(C)O[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000844380775 632186887 /nfs/dbraw/zinc/18/68/87/632186887.db2.gz ZEKCNQRNEUMIEU-QGZVFWFLSA-N 0 3 288.391 2.978 20 30 CFEDHN Cc1ccnc(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000815092983 632200316 /nfs/dbraw/zinc/20/03/16/632200316.db2.gz YKTPUODPCNTYEV-HIFRSBDPSA-N 0 3 270.380 2.657 20 30 CFEDHN C[C@@H](NCc1cc(C#N)ccc1F)[C@@]1(C)CCCO1 ZINC000815595238 632294043 /nfs/dbraw/zinc/29/40/43/632294043.db2.gz LMBSBVYBKZEBGH-IAQYHMDHSA-N 0 3 262.328 2.745 20 30 CFEDHN N#CC(C(=O)Nc1ccccn1)C(=O)C(F)=C1CCCC1 ZINC000815915604 632333171 /nfs/dbraw/zinc/33/31/71/632333171.db2.gz UAXNUALGSDKPFZ-LLVKDONJSA-N 0 3 287.294 2.527 20 30 CFEDHN C=C(C)CONC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000845612119 632484079 /nfs/dbraw/zinc/48/40/79/632484079.db2.gz SDBOBGCHAPFUCF-QWHCGFSZSA-N 0 3 295.383 2.516 20 30 CFEDHN C#CCCCCC(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845732526 632539538 /nfs/dbraw/zinc/53/95/38/632539538.db2.gz QSAWSGLTMBDNIM-CYBMUJFWSA-N 0 3 251.370 2.596 20 30 CFEDHN C=C(C)[C@H](CC(=O)OC[C@H]1CCN1C(C)(C)C)OCC ZINC000845733919 632540665 /nfs/dbraw/zinc/54/06/65/632540665.db2.gz MVNAZHBOMRCGCS-KGLIPLIRSA-N 0 3 283.412 2.774 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845735211 632541493 /nfs/dbraw/zinc/54/14/93/632541493.db2.gz VJEVSCIKUWTXAX-CQSZACIVSA-N 0 3 286.375 2.896 20 30 CFEDHN C=C(Br)CN[C@H](COC)CC(C)(C)C ZINC000845934946 632600647 /nfs/dbraw/zinc/60/06/47/632600647.db2.gz HOBXQHBWHTXIJE-JTQLQIEISA-N 0 3 264.207 2.936 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)o1)[C@](C)(O)c1ccccc1 ZINC000846034660 632619413 /nfs/dbraw/zinc/61/94/13/632619413.db2.gz BEMMQTSZKZXXMK-WBMJQRKESA-N 0 3 270.332 2.537 20 30 CFEDHN C=C(C)CONC(=O)c1cccc(CN2CCCCC2)c1 ZINC000846533734 632723607 /nfs/dbraw/zinc/72/36/07/632723607.db2.gz DMAUWBFMXSZGLU-UHFFFAOYSA-N 0 3 288.391 2.910 20 30 CFEDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c([O-])c1 ZINC000818230066 632816789 /nfs/dbraw/zinc/81/67/89/632816789.db2.gz BTVLWJLBFSYWKG-WCQYABFASA-N 0 3 260.337 2.573 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000818346464 632834611 /nfs/dbraw/zinc/83/46/11/632834611.db2.gz LLQVNFJTYPIHGU-RRFJBIMHSA-N 0 3 274.412 2.913 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@H](C)C1CCCCC1 ZINC000818599271 632876387 /nfs/dbraw/zinc/87/63/87/632876387.db2.gz HOTFUDHUITZOEP-HNNXBMFYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000818606617 632877691 /nfs/dbraw/zinc/87/76/91/632877691.db2.gz ZPJOPJZBZMNNQI-HNNXBMFYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](CC)CC1CCCC1 ZINC000818615711 632879533 /nfs/dbraw/zinc/87/95/33/632879533.db2.gz USMWDFFDQUCXBI-INIZCTEOSA-N 0 3 278.440 2.664 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN[C@@H]2CCCc3occc32)cc1 ZINC000818947831 632913109 /nfs/dbraw/zinc/91/31/09/632913109.db2.gz SGAZWARZXUVMRH-CVEARBPZSA-N 0 3 282.343 2.852 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCCC#N)c1 ZINC000847624040 633010943 /nfs/dbraw/zinc/01/09/43/633010943.db2.gz QLZKSDFQRYVGMV-AWEZNQCLSA-N 0 3 283.331 2.726 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)Nc1cc(C)nc(N)n1 ZINC000840379968 633049690 /nfs/dbraw/zinc/04/96/90/633049690.db2.gz RZCOYSLJOVENFH-AWEZNQCLSA-N 0 3 268.364 2.967 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)Nc1cc(C)nc(N)n1 ZINC000840379969 633049966 /nfs/dbraw/zinc/04/99/66/633049966.db2.gz RZCOYSLJOVENFH-CQSZACIVSA-N 0 3 268.364 2.967 20 30 CFEDHN C[C@@H]1Oc2ccccc2[C@@H]1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819316441 633073071 /nfs/dbraw/zinc/07/30/71/633073071.db2.gz REHUDYCMGBPOTD-BJOOFOGMSA-N 0 3 294.354 2.703 20 30 CFEDHN C[C@H]1CN(C(=O)[C@@H](N)CCCCC#N)Cc2ccccc21 ZINC000848396289 633247759 /nfs/dbraw/zinc/24/77/59/633247759.db2.gz KRJPBOYFUVHNSY-BBRMVZONSA-N 0 3 285.391 2.544 20 30 CFEDHN Cc1ccc2c(c1)CCCN2C(=O)[C@H](N)CCCCC#N ZINC000848396248 633248013 /nfs/dbraw/zinc/24/80/13/633248013.db2.gz KBCYPOZJXUMGJT-OAHLLOKOSA-N 0 3 285.391 2.686 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NC1(Cc2ccccc2)CCC1 ZINC000848403687 633249546 /nfs/dbraw/zinc/24/95/46/633249546.db2.gz YGFHLPFFWXSMMU-INIZCTEOSA-N 0 3 299.418 2.679 20 30 CFEDHN c1cncc(CON=C2CCCN3CCCC[C@H]23)c1 ZINC000848406406 633250284 /nfs/dbraw/zinc/25/02/84/633250284.db2.gz DBXWYGLLEHSOLC-OAHLLOKOSA-N 0 3 259.353 2.603 20 30 CFEDHN Clc1cncnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848409260 633251581 /nfs/dbraw/zinc/25/15/81/633251581.db2.gz RFELBIPRLPXLDQ-GFCCVEGCSA-N 0 3 279.775 2.546 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OCC)c2)C1 ZINC000848923310 633406841 /nfs/dbraw/zinc/40/68/41/633406841.db2.gz IQZRDMLVOZTNFY-AWEZNQCLSA-N 0 3 273.376 2.939 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)C1CC2(CC2)C1 ZINC000850759930 634081345 /nfs/dbraw/zinc/08/13/45/634081345.db2.gz OZZQQTNQSOSRQF-ZDUSSCGKSA-N 0 3 268.316 2.524 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H](C)CC#N)nc21 ZINC000850850330 634109834 /nfs/dbraw/zinc/10/98/34/634109834.db2.gz UTSFCIUQRKPDKT-MNOVXSKESA-N 0 3 266.304 2.597 20 30 CFEDHN C#Cc1cccnc1NC[C@H](c1cccc(OC)c1)N(C)C ZINC000853089558 634900558 /nfs/dbraw/zinc/90/05/58/634900558.db2.gz VOTXQJYTEMSYHY-QGZVFWFLSA-N 0 3 295.386 2.786 20 30 CFEDHN C=CC1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000111256918 634983072 /nfs/dbraw/zinc/98/30/72/634983072.db2.gz GHSNZRAFFYXZNV-HNNXBMFYSA-N 0 3 267.319 2.896 20 30 CFEDHN C[C@@H]1CCCCN1N=Cc1ccc(N2CCOCC2)cc1 ZINC000853378385 634986473 /nfs/dbraw/zinc/98/64/73/634986473.db2.gz CWUNUOFCOFSPJW-OAHLLOKOSA-N 0 3 287.407 2.732 20 30 CFEDHN C=CCN(Cn1cnc2cc(F)c(F)cc21)[C@H](C)COC ZINC000853532737 635029642 /nfs/dbraw/zinc/02/96/42/635029642.db2.gz KUYZFXNXWDPZBG-LLVKDONJSA-N 0 3 295.333 2.795 20 30 CFEDHN C(=NOCC1CC=CC1)c1ccc(N2CCOCC2)cc1 ZINC000853643665 635057850 /nfs/dbraw/zinc/05/78/50/635057850.db2.gz ZTEPKVCMHPIWJN-UHFFFAOYSA-N 0 3 286.375 2.840 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085855286 782188137 /nfs/dbraw/zinc/18/81/37/782188137.db2.gz USBPXLYBGPAFTQ-KRWDZBQOSA-N 0 3 297.402 2.662 20 30 CFEDHN C#CCOc1ccc(CN[C@H](C)c2cccnc2)cc1 ZINC000113314278 635532141 /nfs/dbraw/zinc/53/21/41/635532141.db2.gz IIFOOSZMSIDTOY-CQSZACIVSA-N 0 3 266.344 2.944 20 30 CFEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)CC#N ZINC000857574085 635986086 /nfs/dbraw/zinc/98/60/86/635986086.db2.gz YXISHEHUPQAHCJ-JLJPHGGASA-N 0 3 297.402 2.679 20 30 CFEDHN Cc1ccc(O[C@H]2CCN([C@H](C)CCC#N)C2)nc1 ZINC000858042177 636117670 /nfs/dbraw/zinc/11/76/70/636117670.db2.gz XAEFVWOWMHNQLS-KGLIPLIRSA-N 0 3 259.353 2.535 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1ccccc1Cl ZINC000858332438 636193054 /nfs/dbraw/zinc/19/30/54/636193054.db2.gz VYOOMXZSJIXCTE-ZDUSSCGKSA-N 0 3 251.757 2.858 20 30 CFEDHN C#CC[C@H](COC)NC/C=C\c1ccc(F)cc1F ZINC000858334570 636194301 /nfs/dbraw/zinc/19/43/01/636194301.db2.gz BKSFGECHFZZDDT-KXQLTZBTSA-N 0 3 265.303 2.606 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(SC)s1 ZINC000858335425 636195580 /nfs/dbraw/zinc/19/55/80/636195580.db2.gz UNWYGAYYDTUYSV-SNVBAGLBSA-N 0 3 255.408 2.598 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(N(CC)CC)c(F)c1 ZINC000858335420 636195861 /nfs/dbraw/zinc/19/58/61/636195861.db2.gz UMPNIKUGUCJJJN-OAHLLOKOSA-N 0 3 292.398 2.800 20 30 CFEDHN C#CC[C@@H](COC)NCc1cc2cc(Cl)cnc2o1 ZINC000858335142 636196216 /nfs/dbraw/zinc/19/62/16/636196216.db2.gz WECLSFGAKYHEMB-LBPRGKRZSA-N 0 3 278.739 2.609 20 30 CFEDHN C#CC[C@H](COC)NCc1cc2cc(F)ccc2o1 ZINC000858335273 636196226 /nfs/dbraw/zinc/19/62/26/636196226.db2.gz RDYUFHSRLJOEJY-CYBMUJFWSA-N 0 3 261.296 2.700 20 30 CFEDHN C#CCCOC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000858875314 636366645 /nfs/dbraw/zinc/36/66/45/636366645.db2.gz YOEDHKDMMZMKNE-RDJZCZTQSA-N 0 3 298.386 2.763 20 30 CFEDHN Cc1ccc(CN2CCC(n3cccn3)CC2)cc1C#N ZINC000859136024 636469758 /nfs/dbraw/zinc/46/97/58/636469758.db2.gz YQQWMUYSPRKFGM-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN CCN(CCNC(=O)OC(C)(C)C)[C@@H](C)CCC#N ZINC000859533478 636591433 /nfs/dbraw/zinc/59/14/33/636591433.db2.gz MPUDDABMWDYOFT-LBPRGKRZSA-N 0 3 269.389 2.525 20 30 CFEDHN C#CCCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859581911 636609406 /nfs/dbraw/zinc/60/94/06/636609406.db2.gz JGAITUAQLRCTLY-SFHVURJKSA-N 0 3 283.371 2.900 20 30 CFEDHN Cc1ccc(CO[C@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000860656319 636939520 /nfs/dbraw/zinc/93/95/20/636939520.db2.gz IAZAFFBFOBFDIY-UKRRQHHQSA-N 0 3 295.342 2.567 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2occc2Cl)C1 ZINC001015662466 651208803 /nfs/dbraw/zinc/20/88/03/651208803.db2.gz LNTBGCWWKCAYFN-NSHDSACASA-N 0 3 282.771 2.703 20 30 CFEDHN C=CCC1(C(=O)OC[C@@H]2CCCN2CCOC)CCCC1 ZINC000861038022 637050897 /nfs/dbraw/zinc/05/08/97/637050897.db2.gz SSAJVUAHILOWLY-HNNXBMFYSA-N 0 3 295.423 2.777 20 30 CFEDHN CCN(C(=O)/C=C/c1ccccc1C#N)C1CCN(C)CC1 ZINC000861893003 637252414 /nfs/dbraw/zinc/25/24/14/637252414.db2.gz ASOIRUUAJUATRV-CMDGGOBGSA-N 0 3 297.402 2.514 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(F)c(OC)cc2OC)C1 ZINC000862447207 637386722 /nfs/dbraw/zinc/38/67/22/637386722.db2.gz JGLKSZNKTPAMEJ-GFCCVEGCSA-N 0 3 277.339 2.688 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccnn2-c2ccccc2)C1 ZINC000862446591 637387390 /nfs/dbraw/zinc/38/73/90/637387390.db2.gz BDUADHUWYZLODL-HNNXBMFYSA-N 0 3 265.360 2.718 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000862445296 637387935 /nfs/dbraw/zinc/38/79/35/637387935.db2.gz QCVSAIPYZQETBR-GXTWGEPZSA-N 0 3 276.405 2.840 20 30 CFEDHN C#CC[C@H](CCOC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000862548159 637420968 /nfs/dbraw/zinc/42/09/68/637420968.db2.gz YZNLBIXVAUOXFC-CYBMUJFWSA-N 0 3 297.782 2.572 20 30 CFEDHN COc1ccc(N=NC2CN3C[C@@H]2CCC3)cc1Cl ZINC000863106783 637556617 /nfs/dbraw/zinc/55/66/17/637556617.db2.gz PNDLPDFJPMNGQL-JTQLQIEISA-N 0 3 279.771 2.842 20 30 CFEDHN CCC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(N)cc1 ZINC000863109012 637558774 /nfs/dbraw/zinc/55/87/74/637558774.db2.gz XHIWDBKMPUDCPM-CQSZACIVSA-N 0 3 275.396 2.930 20 30 CFEDHN Cc1cc(NN=Cc2csc(C3CC3)n2)ccn1 ZINC000863158408 637572730 /nfs/dbraw/zinc/57/27/30/637572730.db2.gz AKSUVDDKZSEZBK-UHFFFAOYSA-N 0 3 258.350 2.592 20 30 CFEDHN Cc1cc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)ccn1 ZINC000863158455 637573123 /nfs/dbraw/zinc/57/31/23/637573123.db2.gz CAGZQDGTYXYDPE-QMTHXVAHSA-N 0 3 255.321 2.974 20 30 CFEDHN Cc1cc(NN=C2CCCOc3ccccc32)ccn1 ZINC000863158755 637573284 /nfs/dbraw/zinc/57/32/84/637573284.db2.gz PADHTXLMWRWTQM-UHFFFAOYSA-N 0 3 267.332 2.801 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1ccc(C(C)(C)O)cc1 ZINC000863159544 637574136 /nfs/dbraw/zinc/57/41/36/637574136.db2.gz WARSGPATANZYJR-UHFFFAOYSA-N 0 3 283.375 2.875 20 30 CFEDHN C#CCN(CCOCC(F)F)[C@@H]1CCc2ccccc21 ZINC000188875736 650349069 /nfs/dbraw/zinc/34/90/69/650349069.db2.gz WSYAYZVPKXVCLK-OAHLLOKOSA-N 0 3 279.330 2.891 20 30 CFEDHN C#CCN(CC[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000188914295 650350389 /nfs/dbraw/zinc/35/03/89/650350389.db2.gz MUHRPTBFDWOIGY-INIZCTEOSA-N 0 3 261.340 2.830 20 30 CFEDHN C=CCN1CCC(Nc2nc3ccccc3nc2F)CC1 ZINC000865522430 638394502 /nfs/dbraw/zinc/39/45/02/638394502.db2.gz ROIBVYSCQJBKRE-UHFFFAOYSA-N 0 3 286.354 2.831 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000865593365 638447251 /nfs/dbraw/zinc/44/72/51/638447251.db2.gz KTADEIFEJSMSJD-LLVKDONJSA-N 0 3 289.297 2.844 20 30 CFEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1ccnn1C ZINC000865838775 638603882 /nfs/dbraw/zinc/60/38/82/638603882.db2.gz CCTMPGNNBNYJPM-CQSZACIVSA-N 0 3 297.406 2.621 20 30 CFEDHN CCCN1CC[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865949644 638672896 /nfs/dbraw/zinc/67/28/96/638672896.db2.gz WVSDNOUZIBRTHU-LLVKDONJSA-N 0 3 292.314 2.502 20 30 CFEDHN C[C@H](N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccc(C#N)cc1F ZINC000866445816 638823083 /nfs/dbraw/zinc/82/30/83/638823083.db2.gz SEBWBTODPWRTRI-XRBOHYKWSA-N 0 3 286.350 2.771 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2Cc3ccc(C#N)cc3C2)c2nccn21 ZINC000866616258 638855491 /nfs/dbraw/zinc/85/54/91/638855491.db2.gz MSGLYMVYULJKGO-RLCCDNCMSA-N 0 3 278.359 2.518 20 30 CFEDHN Cc1cncc(CNCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000123056286 639594667 /nfs/dbraw/zinc/59/46/67/639594667.db2.gz CXXLVUFMNNEYPE-AWEZNQCLSA-N 0 3 281.359 2.971 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cccs1 ZINC000193364335 650646886 /nfs/dbraw/zinc/64/68/86/650646886.db2.gz PGNKHYPYCUUTRY-ZDUSSCGKSA-N 0 3 292.404 2.696 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000871938462 641518106 /nfs/dbraw/zinc/51/81/06/641518106.db2.gz AAIIAIQMASSIFU-XIRDDKMYSA-N 0 3 284.403 2.598 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cccc(O)c1F ZINC000872077037 641609328 /nfs/dbraw/zinc/60/93/28/641609328.db2.gz XTQQTNHSIARRMW-SUHUHFCYSA-N 0 3 265.328 2.916 20 30 CFEDHN Cc1cccc([C@@H](C)C(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000124150038 641858697 /nfs/dbraw/zinc/85/86/97/641858697.db2.gz WPAQHVXNEPVPLQ-CJNGLKHVSA-N 0 3 298.386 2.866 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(CCC)cc2)CC1 ZINC000194045018 650715153 /nfs/dbraw/zinc/71/51/53/650715153.db2.gz CUBLTVQDSJAPSH-UHFFFAOYSA-N 0 3 284.403 2.923 20 30 CFEDHN C#C[C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000874860552 642532750 /nfs/dbraw/zinc/53/27/50/642532750.db2.gz IVQDULUTNRBVKY-ZQIUZPCESA-N 0 3 294.414 2.507 20 30 CFEDHN Cn1c(Cl)nc(Cl)c1CNCCCCC#N ZINC000084021375 650771802 /nfs/dbraw/zinc/77/18/02/650771802.db2.gz DFNAXXZDLFOTLS-UHFFFAOYSA-N 0 3 261.156 2.510 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](CC)CCCC ZINC000876544125 642913540 /nfs/dbraw/zinc/91/35/40/642913540.db2.gz NXSRXEOEIFSUGX-NEPJUHHUSA-N 0 3 260.809 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCSc2ccccc21 ZINC000876557989 642921181 /nfs/dbraw/zinc/92/11/81/642921181.db2.gz NJYYOIRWKNCQPT-RYUDHWBXSA-N 0 3 296.823 2.810 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000876559844 642922312 /nfs/dbraw/zinc/92/23/12/642922312.db2.gz HGFXYIDOMLGSQW-WCQYABFASA-N 0 3 266.772 2.676 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCSc1ccc(C)cc1 ZINC000876564523 642925051 /nfs/dbraw/zinc/92/50/51/642925051.db2.gz NDVLIFZKEJODJB-ZDUSSCGKSA-N 0 3 298.839 2.673 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000876570708 642928295 /nfs/dbraw/zinc/92/82/95/642928295.db2.gz MCWNEEYUERHPOD-ZIAGYGMSSA-N 0 3 278.783 2.724 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCCCc1ccccc1 ZINC000876570522 642928570 /nfs/dbraw/zinc/92/85/70/642928570.db2.gz FIICKDYTWFNGFJ-AWEZNQCLSA-N 0 3 280.799 2.595 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000876574229 642929526 /nfs/dbraw/zinc/92/95/26/642929526.db2.gz AMLQBRJOEORKCG-HNNXBMFYSA-N 0 3 292.810 2.863 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000876572962 642929538 /nfs/dbraw/zinc/92/95/38/642929538.db2.gz LOZKCTQRWGHFBC-SECBINFHSA-N 0 3 299.827 2.820 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000876578300 642931818 /nfs/dbraw/zinc/93/18/18/642931818.db2.gz INFOGCAETPYNMC-LLVKDONJSA-N 0 3 291.153 2.565 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(Cl)c1OC ZINC000876578563 642932167 /nfs/dbraw/zinc/93/21/67/642932167.db2.gz RWDXERFENFHSAP-VIFPVBQESA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C1CCC(CC)CC1 ZINC000876588405 642935003 /nfs/dbraw/zinc/93/50/03/642935003.db2.gz FYVXNDHWSGMZPB-BPCQOVAHSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000876617592 642946902 /nfs/dbraw/zinc/94/69/02/642946902.db2.gz DDJNAACMFAMMQH-UONOGXRCSA-N 0 3 294.782 2.526 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccccc1F ZINC000876637255 642953311 /nfs/dbraw/zinc/95/33/11/642953311.db2.gz SPMKEYBFWQALQO-ZDUSSCGKSA-N 0 3 298.789 2.689 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000876639731 642954380 /nfs/dbraw/zinc/95/43/80/642954380.db2.gz HZDBFPOKUMNAHQ-ZWNOBZJWSA-N 0 3 282.771 2.802 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000876639730 642954649 /nfs/dbraw/zinc/95/46/49/642954649.db2.gz HZDBFPOKUMNAHQ-MFKMUULPSA-N 0 3 282.771 2.802 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1CCC ZINC000876644300 642956613 /nfs/dbraw/zinc/95/66/13/642956613.db2.gz BZSYPXBOUSZKJC-AVGNSLFASA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CC(c2ccccc2)C1 ZINC000876646657 642957545 /nfs/dbraw/zinc/95/75/45/642957545.db2.gz XBFSGYDCHFRQAN-RUXDESIVSA-N 0 3 278.783 2.519 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2c1cccc2C ZINC000876648959 642958081 /nfs/dbraw/zinc/95/80/81/642958081.db2.gz IAJXTFNGVMNJQG-UONOGXRCSA-N 0 3 278.783 2.568 20 30 CFEDHN CCOP(=O)(CCCN1CCC(C#N)CC1)OCC ZINC000876652660 642959226 /nfs/dbraw/zinc/95/92/26/642959226.db2.gz GYMLYSPACYUCHV-UHFFFAOYSA-N 0 3 288.328 2.878 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2c(Cl)cccc2C1 ZINC000876653464 642959838 /nfs/dbraw/zinc/95/98/38/642959838.db2.gz QUKOHBKFGNEBIJ-CYBMUJFWSA-N 0 3 299.201 2.695 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1cccs1 ZINC000876664256 642963564 /nfs/dbraw/zinc/96/35/64/642963564.db2.gz QQFQALWUOSWFQW-SNVBAGLBSA-N 0 3 286.828 2.612 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000876672914 642967516 /nfs/dbraw/zinc/96/75/16/642967516.db2.gz SDSIPSVEYZZKGK-DZGCQCFKSA-N 0 3 294.826 2.854 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](CC)Cc1ccccc1 ZINC000876683595 642971989 /nfs/dbraw/zinc/97/19/89/642971989.db2.gz VRMNCDJWPUPWNS-HUUCEWRRSA-N 0 3 294.826 2.936 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000876691051 642975980 /nfs/dbraw/zinc/97/59/80/642975980.db2.gz YNYROHKHZDSNMN-IONNQARKSA-N 0 3 286.725 2.550 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](CCC)CCCC ZINC000876697398 642977669 /nfs/dbraw/zinc/97/76/69/642977669.db2.gz CXVRHEGCIKLHFY-NWDGAFQWSA-N 0 3 260.809 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[C@H](SCC)C1 ZINC000876699070 642979258 /nfs/dbraw/zinc/97/92/58/642979258.db2.gz PLYFIZISDZKIIU-SRVKXCTJSA-N 0 3 290.860 2.589 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(CC)(CC)CC ZINC000876704059 642980152 /nfs/dbraw/zinc/98/01/52/642980152.db2.gz RRSCQVUEPVPRCM-LLVKDONJSA-N 0 3 260.809 2.789 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CCCOC(C)(C)C1 ZINC000876752132 642994344 /nfs/dbraw/zinc/99/43/44/642994344.db2.gz HGMCTEYYNDHKNC-UHFFFAOYSA-N 0 3 287.407 2.625 20 30 CFEDHN C[C@@H](Cc1ccco1)NCc1cc(C#N)cnc1Cl ZINC000876917046 643064530 /nfs/dbraw/zinc/06/45/30/643064530.db2.gz MSEPASZAIAYDFB-JTQLQIEISA-N 0 3 275.739 2.920 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccc(C)cc2)CCC1 ZINC000876939850 643072639 /nfs/dbraw/zinc/07/26/39/643072639.db2.gz MSQXYULMLQADGH-AWEZNQCLSA-N 0 3 292.810 2.960 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1C1CCC1 ZINC000876940428 643074042 /nfs/dbraw/zinc/07/40/42/643074042.db2.gz UUUNLEJWHVLARB-OLZOCXBDSA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000876949191 643076047 /nfs/dbraw/zinc/07/60/47/643076047.db2.gz UJIUSLTUGIQZLS-NHYWBVRUSA-N 0 3 292.810 2.645 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC000877012957 643104641 /nfs/dbraw/zinc/10/46/41/643104641.db2.gz HLAWEKYHHKBCJX-JTQLQIEISA-N 0 3 273.138 2.981 20 30 CFEDHN CC(C)C[C@@H](CCO)CNCc1cc(C#N)cnc1Cl ZINC000877067719 643132186 /nfs/dbraw/zinc/13/21/86/643132186.db2.gz LUUOJJMFGWYZJY-GFCCVEGCSA-N 0 3 295.814 2.741 20 30 CFEDHN CS[C@@H]1CC[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877067360 643132499 /nfs/dbraw/zinc/13/24/99/643132499.db2.gz CJEDOMVIIGCJKF-VXGBXAGGSA-N 0 3 281.812 2.980 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC2(C3CC3)CC2)c1 ZINC000877113179 643157687 /nfs/dbraw/zinc/15/76/87/643157687.db2.gz CKRBTAJLVSDHEY-UHFFFAOYSA-N 0 3 261.756 2.886 20 30 CFEDHN COc1ccc(CNC[C@H]2CC2(Cl)Cl)cc1C#N ZINC000877115395 643159112 /nfs/dbraw/zinc/15/91/12/643159112.db2.gz DPUFCYSAXCTGPY-LLVKDONJSA-N 0 3 285.174 2.850 20 30 CFEDHN C=CCCOCCNCc1cccc(Cl)c1N ZINC000877123885 643162994 /nfs/dbraw/zinc/16/29/94/643162994.db2.gz DJUXKUOAZABGNE-UHFFFAOYSA-N 0 3 254.761 2.605 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2cc(C#N)cnc2Cl)C1(C)C ZINC000877139231 643173706 /nfs/dbraw/zinc/17/37/06/643173706.db2.gz ZUNRPRBYTCWRRL-ZWKOPEQDSA-N 0 3 293.798 2.756 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)c1cccc2cc[nH]c21 ZINC000877199536 643200208 /nfs/dbraw/zinc/20/02/08/643200208.db2.gz VJULYZGZRXZROD-ZDUSSCGKSA-N 0 3 284.363 2.542 20 30 CFEDHN C#CCCCCCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000877354091 643247173 /nfs/dbraw/zinc/24/71/73/643247173.db2.gz BFGVBKMJEQNHJJ-UHFFFAOYSA-N 0 3 296.418 2.659 20 30 CFEDHN CC[C@H]1CN(Cc2cc(C#N)ccc2N(C)C)CCCO1 ZINC000877501562 643313242 /nfs/dbraw/zinc/31/32/42/643313242.db2.gz RGYUDBFCOPSMRZ-INIZCTEOSA-N 0 3 287.407 2.625 20 30 CFEDHN COCC1(CCNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877550150 643350888 /nfs/dbraw/zinc/35/08/88/643350888.db2.gz FGKQQEVRFZWRBE-UHFFFAOYSA-N 0 3 293.798 2.903 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877588369 643382818 /nfs/dbraw/zinc/38/28/18/643382818.db2.gz PIENNHBJSPWUDS-BONVTDFDSA-N 0 3 293.798 2.900 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877605064 643393433 /nfs/dbraw/zinc/39/34/33/643393433.db2.gz LPAVBMIZJREFJA-LBPRGKRZSA-N 0 3 270.332 2.769 20 30 CFEDHN CC(C)(F)CCNCc1cc(C#N)cnc1Cl ZINC000877628683 643412218 /nfs/dbraw/zinc/41/22/18/643412218.db2.gz IVJJOXIJWHNSAP-UHFFFAOYSA-N 0 3 255.724 2.834 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2ccccc2n1C ZINC000877641332 643425890 /nfs/dbraw/zinc/42/58/90/643425890.db2.gz RHIABROUBRBJOG-UHFFFAOYSA-N 0 3 270.376 2.650 20 30 CFEDHN CC(C)C1(CN2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000877645658 643428123 /nfs/dbraw/zinc/42/81/23/643428123.db2.gz RMWFXQLNKPSKLU-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CCC(C)(F)CC1 ZINC000877700705 643463384 /nfs/dbraw/zinc/46/33/84/643463384.db2.gz UGSPMBWYRLXHAC-UHFFFAOYSA-N 0 3 275.371 2.948 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3CSC[C@H]3C2)s1 ZINC000877740037 643508319 /nfs/dbraw/zinc/50/83/19/643508319.db2.gz QXMZYIBSXRZOQL-GHMZBOCLSA-N 0 3 264.419 2.805 20 30 CFEDHN COc1cc(CN2CCC(C(C)(C)O)CC2)ccc1C#N ZINC000877753670 643532252 /nfs/dbraw/zinc/53/22/52/643532252.db2.gz JMQLUPFIFSEJJT-UHFFFAOYSA-N 0 3 288.391 2.550 20 30 CFEDHN CC[C@H](NCc1cccc(C#N)n1)[C@@H](O)c1ccccc1 ZINC000877832771 643598427 /nfs/dbraw/zinc/59/84/27/643598427.db2.gz QQLMWANVLPQADH-IRXDYDNUSA-N 0 3 281.359 2.555 20 30 CFEDHN CC(=O)[C@](C#N)(CCN1CCC[C@H]1C)c1ccccc1 ZINC000878150039 643760537 /nfs/dbraw/zinc/76/05/37/643760537.db2.gz DYLXIFXKSJZLBT-RHSMWYFYSA-N 0 3 270.376 2.911 20 30 CFEDHN N#Cc1cccc(N2CCN(CC3CC4(CCC4)C3)CC2)n1 ZINC000878433381 643893449 /nfs/dbraw/zinc/89/34/49/643893449.db2.gz ARGJPVKNHCGNQA-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN C#C[C@H](NC[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H]1CCCO1 ZINC000878454423 643901785 /nfs/dbraw/zinc/90/17/85/643901785.db2.gz XGDHLOGXUIWNSX-XSLAGTTESA-N 0 3 285.387 2.677 20 30 CFEDHN Cn1cc([C@@H]2CN(Cc3ccc(C#N)o3)CC2(C)C)cn1 ZINC000878658483 643979912 /nfs/dbraw/zinc/97/99/12/643979912.db2.gz XFMZITNWFHQPJA-HNNXBMFYSA-N 0 3 284.363 2.510 20 30 CFEDHN Cc1cncc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000879432579 644268870 /nfs/dbraw/zinc/26/88/70/644268870.db2.gz CNQDRAUNCKCFKF-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN CN(CCc1cccc(C#N)c1)Cc1cccc(F)n1 ZINC000879432091 644269110 /nfs/dbraw/zinc/26/91/10/644269110.db2.gz CCQAASJIKDCEJQ-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN Cc1cc(CN(C)CCc2cccc(C#N)c2)nc(C)n1 ZINC000879432203 644269326 /nfs/dbraw/zinc/26/93/26/644269326.db2.gz FLJZHNBCMLXRFO-UHFFFAOYSA-N 0 3 280.375 2.640 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879527946 644304395 /nfs/dbraw/zinc/30/43/95/644304395.db2.gz FUBWACCTTMODSF-BMFZPTHFSA-N 0 3 295.386 2.783 20 30 CFEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879527947 644305107 /nfs/dbraw/zinc/30/51/07/644305107.db2.gz FUBWACCTTMODSF-CWRNSKLLSA-N 0 3 295.386 2.783 20 30 CFEDHN CCC(O)(CC)C(C)(C)NCc1ccc(C#N)o1 ZINC000879700929 644388434 /nfs/dbraw/zinc/38/84/34/644388434.db2.gz OZZUKOIEKNSWGH-UHFFFAOYSA-N 0 3 250.342 2.571 20 30 CFEDHN CC(=O)Nc1ccc2c(c1)CN(CCCCC#N)CC2 ZINC000880029748 644508135 /nfs/dbraw/zinc/50/81/35/644508135.db2.gz VVGPCGQWFJMCOY-UHFFFAOYSA-N 0 3 271.364 2.697 20 30 CFEDHN C[C@H](CCC#N)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079508 644524828 /nfs/dbraw/zinc/52/48/28/644524828.db2.gz IWJITZXYDIMQBR-UKRRQHHQSA-N 0 3 287.363 2.636 20 30 CFEDHN COC(=O)c1ccc2c(c1)CCN(CCCCC#N)C2 ZINC000880349739 644661848 /nfs/dbraw/zinc/66/18/48/644661848.db2.gz HCAXOHKGEJREOJ-UHFFFAOYSA-N 0 3 272.348 2.525 20 30 CFEDHN CC(C)(C)OCCCN1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000880415442 644698092 /nfs/dbraw/zinc/69/80/92/644698092.db2.gz NMSQVPGVYMOYHX-HZPDHXFCSA-N 0 3 293.455 2.501 20 30 CFEDHN N#CCC[C@@H](C#N)CN1CCCC[C@@H](C2CCOCC2)C1 ZINC000880575249 644772147 /nfs/dbraw/zinc/77/21/47/644772147.db2.gz WQQYUGOIXKENLE-DOTOQJQBSA-N 0 3 289.423 2.959 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc(C)cc(Br)c1 ZINC000883157420 645630523 /nfs/dbraw/zinc/63/05/23/645630523.db2.gz XSCFYZKUXHGKDB-AWEZNQCLSA-N 0 3 296.208 2.621 20 30 CFEDHN C=CCC[C@H](NCc1cn2ccccc2n1)[C@@H]1CCCO1 ZINC000883167214 645635612 /nfs/dbraw/zinc/63/56/12/645635612.db2.gz SNFUGPDVSNKFQT-HOTGVXAUSA-N 0 3 285.391 2.938 20 30 CFEDHN C=CCC[C@@H](COc1ccccc1)N[C@H](C)C(=O)NCC ZINC000883167443 645636370 /nfs/dbraw/zinc/63/63/70/645636370.db2.gz YPZFVGOEWCUJAK-CABCVRRESA-N 0 3 290.407 2.514 20 30 CFEDHN C=CCC[C@H](NCc1cc(CC)no1)[C@@H]1CCCO1 ZINC000883192321 645653918 /nfs/dbraw/zinc/65/39/18/645653918.db2.gz WTEMYGXHNPNIKM-GJZGRUSLSA-N 0 3 264.369 2.840 20 30 CFEDHN C=CCC[C@@H](NCc1cc(CC)no1)[C@@H]1CCCO1 ZINC000883192320 645654547 /nfs/dbraw/zinc/65/45/47/645654547.db2.gz WTEMYGXHNPNIKM-CABCVRRESA-N 0 3 264.369 2.840 20 30 CFEDHN C=CCC[C@H](NCc1cccc(F)n1)[C@H]1CCCO1 ZINC000883207945 645665025 /nfs/dbraw/zinc/66/50/25/645665025.db2.gz WBDPGQLKBCFSIJ-UONOGXRCSA-N 0 3 264.344 2.824 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC(C)(C)CC[C@H]2C)nn1 ZINC000883230886 645680256 /nfs/dbraw/zinc/68/02/56/645680256.db2.gz SYDVQJPIMFQNCN-TZMCWYRMSA-N 0 3 262.401 2.769 20 30 CFEDHN C#CC1(NCc2cc(-c3cccnc3)n[nH]2)CCCC1 ZINC000883362739 645769588 /nfs/dbraw/zinc/76/95/88/645769588.db2.gz MIDCDSJSWITRAE-UHFFFAOYSA-N 0 3 266.348 2.507 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(F)cc1F ZINC000883388993 645786335 /nfs/dbraw/zinc/78/63/35/645786335.db2.gz IJRQSTPAZQCLDH-PWSUYJOCSA-N 0 3 255.308 2.943 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cccc(O)c1F ZINC000883393076 645792413 /nfs/dbraw/zinc/79/24/13/645792413.db2.gz VIGSPYOYODDAJD-GHMZBOCLSA-N 0 3 253.317 2.509 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cc(Cl)ccc1OC ZINC000883401094 645797707 /nfs/dbraw/zinc/79/77/07/645797707.db2.gz BWMKELDRYVILLG-ZDUSSCGKSA-N 0 3 269.772 2.765 20 30 CFEDHN CC[C@@](C)(CC(=O)OC)NCc1ccc(C#N)cc1F ZINC000134095610 646281283 /nfs/dbraw/zinc/28/12/83/646281283.db2.gz AQCGYLCBAPANEQ-HNNXBMFYSA-N 0 3 278.327 2.519 20 30 CFEDHN CC(=NNCCc1ccccn1)c1c(C)cc(N)cc1C ZINC000884462606 646370454 /nfs/dbraw/zinc/37/04/54/646370454.db2.gz JKYVABXPMKNMDD-UHFFFAOYSA-N 0 3 282.391 2.837 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@](C)(O)C(F)F ZINC000885967717 646789137 /nfs/dbraw/zinc/78/91/37/646789137.db2.gz XBLSKJIBWHXIMV-OAHLLOKOSA-N 0 3 269.335 2.733 20 30 CFEDHN CC[C@@H](C#N)Oc1cccc(CNCc2n[nH]c(C)c2C)c1 ZINC000885985723 646796832 /nfs/dbraw/zinc/79/68/32/646796832.db2.gz PEMAYUHRIMQWNL-HNNXBMFYSA-N 0 3 298.390 2.997 20 30 CFEDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCC2)n1 ZINC000886043950 646839162 /nfs/dbraw/zinc/83/91/62/646839162.db2.gz NGROESHWRHUMFK-RDJZCZTQSA-N 0 3 299.418 2.972 20 30 CFEDHN C=C(C)COc1cc(CN[C@]23C[C@H]2COC3)ccc1OC ZINC000886201559 646917330 /nfs/dbraw/zinc/91/73/30/646917330.db2.gz IOTYCUJFWXDEAF-YOEHRIQHSA-N 0 3 289.375 2.529 20 30 CFEDHN C#CCN1CCC[C@H](NCc2sccc2Cl)C1 ZINC000886211092 646922982 /nfs/dbraw/zinc/92/29/82/646922982.db2.gz JCDAHWZAEHRSJH-NSHDSACASA-N 0 3 268.813 2.589 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC=C(c3ccccn3)C2)CCC1 ZINC000886217853 646926070 /nfs/dbraw/zinc/92/60/70/646926070.db2.gz IYVAIXBBTFGKMH-MRXNPFEDSA-N 0 3 297.402 2.616 20 30 CFEDHN CSc1ccc(CNCc2nc(C)ccc2O)cc1C#N ZINC000886278674 646948252 /nfs/dbraw/zinc/94/82/52/646948252.db2.gz GDWPROAZAKQAPQ-UHFFFAOYSA-N 0 3 299.399 2.979 20 30 CFEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353825 646982894 /nfs/dbraw/zinc/98/28/94/646982894.db2.gz QSECHELDNCRTQP-HOTGVXAUSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354028 646982908 /nfs/dbraw/zinc/98/29/08/646982908.db2.gz UWRGLWIDDDJSML-CVEARBPZSA-N 0 3 296.414 2.700 20 30 CFEDHN C#CC[C@@H]1CCN(CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000886354153 646983185 /nfs/dbraw/zinc/98/31/85/646983185.db2.gz XIYYMRDLDXLVDZ-BRWVUGGUSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN(C(=O)C1=CCC(C)(C)CC1)C1CCN(C)CC1 ZINC000886574777 647051295 /nfs/dbraw/zinc/05/12/95/647051295.db2.gz SUKHKQXYINJQGY-UHFFFAOYSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C1CCN(C)CC1 ZINC000886577510 647053404 /nfs/dbraw/zinc/05/34/04/647053404.db2.gz KZRNJMNMQQMMCF-NVXWUHKLSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C(=O)CC1CCCCC1)C1CCN(C)CC1 ZINC000886587052 647055509 /nfs/dbraw/zinc/05/55/09/647055509.db2.gz DYKXIUACUHRUHT-UHFFFAOYSA-N 0 3 276.424 2.513 20 30 CFEDHN Cc1csc(C[C@@H]2CCCN(CCO[C@@H](C)C#N)C2)n1 ZINC000886691757 647113464 /nfs/dbraw/zinc/11/34/64/647113464.db2.gz LSIJRDBHYXQUTR-KBPBESRZSA-N 0 3 293.436 2.635 20 30 CFEDHN C=CCC[C@@H](CCC)[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886753763 647127318 /nfs/dbraw/zinc/12/73/18/647127318.db2.gz VAMGRTBGRKJHBX-LLVKDONJSA-N 0 3 268.430 2.892 20 30 CFEDHN C=CCC1(O)CCN(Cc2c(C)cc(C)nc2C)CC1 ZINC000886780212 647134051 /nfs/dbraw/zinc/13/40/51/647134051.db2.gz FKRPONCFIXODOG-UHFFFAOYSA-N 0 3 274.408 2.910 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886821711 647152712 /nfs/dbraw/zinc/15/27/12/647152712.db2.gz GHYUVJMTEZESEC-DOTOQJQBSA-N 0 3 273.351 2.678 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]([C@@H]3CCCO3)C2)ccc1F ZINC000886829664 647154890 /nfs/dbraw/zinc/15/48/90/647154890.db2.gz FHQQRJBFMDGPQJ-CJNGLKHVSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c(F)c1 ZINC000886837913 647158942 /nfs/dbraw/zinc/15/89/42/647158942.db2.gz OVJRQPFUQDFGLR-HOCLYGCPSA-N 0 3 274.339 2.698 20 30 CFEDHN C#CCC1(NCc2nc3ccccc3s2)CCOCC1 ZINC000887121091 647218361 /nfs/dbraw/zinc/21/83/61/647218361.db2.gz WPIGVRIXHKWVNE-UHFFFAOYSA-N 0 3 286.400 2.958 20 30 CFEDHN C#CC[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000887226540 647243250 /nfs/dbraw/zinc/24/32/50/647243250.db2.gz QQFVKBSUTIBIGL-CQSZACIVSA-N 0 3 285.391 2.625 20 30 CFEDHN CC[C@H](C(=O)N1CCC(c2ccc(C#N)cc2)CC1)N(C)C ZINC000887697583 647392009 /nfs/dbraw/zinc/39/20/09/647392009.db2.gz ITCUGSPKIXCWDB-QGZVFWFLSA-N 0 3 299.418 2.604 20 30 CFEDHN CCN(CC)CC(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000887704629 647394391 /nfs/dbraw/zinc/39/43/91/647394391.db2.gz MOKFONWZXLDTIE-UHFFFAOYSA-N 0 3 299.418 2.606 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)C1(Br)CC1 ZINC000924701943 648030760 /nfs/dbraw/zinc/03/07/60/648030760.db2.gz UKNQCNMEMQMCBV-JTQLQIEISA-N 0 3 279.181 2.964 20 30 CFEDHN COc1ccc(CN[C@H](C)CC(C)(C)C#N)cc1O ZINC000924899780 648069013 /nfs/dbraw/zinc/06/90/13/648069013.db2.gz ICHYWGKTCSFSOY-LLVKDONJSA-N 0 3 262.353 2.819 20 30 CFEDHN C=C(Br)CNC1CC2(C1)COC(C)(C)C2 ZINC000924961621 648080655 /nfs/dbraw/zinc/08/06/55/648080655.db2.gz SJOUKUHBCMSBFE-UHFFFAOYSA-N 0 3 274.202 2.832 20 30 CFEDHN C#CCSCCN[C@H]1CCc2c1nccc2Cl ZINC000925451270 648172239 /nfs/dbraw/zinc/17/22/39/648172239.db2.gz BMLUCRIQXIERHO-LBPRGKRZSA-N 0 3 266.797 2.678 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cnnn1-c1ccccc1 ZINC000925531947 648203543 /nfs/dbraw/zinc/20/35/43/648203543.db2.gz OKVKWPUVJISULQ-CQSZACIVSA-N 0 3 286.379 2.511 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cccc2c1OCO2 ZINC000925631750 648250763 /nfs/dbraw/zinc/25/07/63/648250763.db2.gz JHXMAEQWZMDBEW-LBPRGKRZSA-N 0 3 263.337 2.659 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)N1CCc2sc(CN)nc2C1 ZINC000925751997 648307402 /nfs/dbraw/zinc/30/74/02/648307402.db2.gz SUWQROPNJSVDJU-MNOVXSKESA-N 0 3 265.426 2.561 20 30 CFEDHN CC[C@@H](NCc1cc(N)ccn1)c1ccc(C#N)cc1 ZINC000925766275 648312727 /nfs/dbraw/zinc/31/27/27/648312727.db2.gz IQEZPDYUPZCNER-MRXNPFEDSA-N 0 3 266.348 2.776 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](CO)c1ccsc1 ZINC000926198181 648431144 /nfs/dbraw/zinc/43/11/44/648431144.db2.gz JHAWRTTYVBYPBR-ZYHUDNBSSA-N 0 3 252.383 2.699 20 30 CFEDHN COC1(OC)CC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000926599758 648548033 /nfs/dbraw/zinc/54/80/33/648548033.db2.gz HQZYPPSPBGBPKV-JKSUJKDBSA-N 0 3 286.375 2.677 20 30 CFEDHN Cc1cc([C@@H](C)NCCNc2ccc(C#N)cn2)oc1C ZINC000927161972 648732986 /nfs/dbraw/zinc/73/29/86/648732986.db2.gz AKQSNCCROPZJCC-GFCCVEGCSA-N 0 3 284.363 2.926 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(CCC#N)cc1 ZINC000928403643 648907498 /nfs/dbraw/zinc/90/74/98/648907498.db2.gz DERDYHRUYOUSOV-ZIAGYGMSSA-N 0 3 285.391 2.954 20 30 CFEDHN CN(CCOC1CCSCC1)Cc1ccc(C#N)cc1 ZINC000929165456 648993290 /nfs/dbraw/zinc/99/32/90/648993290.db2.gz WOQPWCCVFFQURU-UHFFFAOYSA-N 0 3 290.432 2.902 20 30 CFEDHN COC/C(C)=C/CN1CCCN(c2ccccc2C#N)CC1 ZINC000929262799 649018098 /nfs/dbraw/zinc/01/80/98/649018098.db2.gz KNDWJJBOCVRYDX-LZYBPNLTSA-N 0 3 299.418 2.663 20 30 CFEDHN C[C@H](Cn1cccn1)NCc1cc(Cl)cc(C#N)c1 ZINC000929588404 649072516 /nfs/dbraw/zinc/07/25/16/649072516.db2.gz STQVQYOVPRXWTI-LLVKDONJSA-N 0 3 274.755 2.586 20 30 CFEDHN N#CC1(CCCCN2CCC[C@H]2C(=O)NC2CC2)CCC1 ZINC000929636913 649083752 /nfs/dbraw/zinc/08/37/52/649083752.db2.gz YVHHMMLNGUAOHH-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN N#Cc1cc(Cl)cc(CN(CCCO)C2CC2)c1 ZINC000929668238 649091310 /nfs/dbraw/zinc/09/13/10/649091310.db2.gz RGQAAGIULCKDDV-UHFFFAOYSA-N 0 3 264.756 2.558 20 30 CFEDHN CCSc1ccc([C@H](C)NC[C@H](O)CC#N)cc1 ZINC000930215264 649208123 /nfs/dbraw/zinc/20/81/23/649208123.db2.gz RQBPYLNFBJFSLF-WCQYABFASA-N 0 3 264.394 2.724 20 30 CFEDHN C[C@@H]1OCC[C@]12CN(CCCCC1(C#N)CCC1)CCO2 ZINC000930275501 649220319 /nfs/dbraw/zinc/22/03/19/649220319.db2.gz JWSHDEWQTXZAFC-RDJZCZTQSA-N 0 3 292.423 2.730 20 30 CFEDHN C=C(C)CN(CCO[C@H]1CCOC1)Cc1ccccc1 ZINC000930273489 649220796 /nfs/dbraw/zinc/22/07/96/649220796.db2.gz PPDOGNZNALQNSK-KRWDZBQOSA-N 0 3 275.392 2.870 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCCCC2(C#N)CCC2)C1=O ZINC000930310821 649227727 /nfs/dbraw/zinc/22/77/27/649227727.db2.gz PUBCENAUOPOANR-OAHLLOKOSA-N 0 3 289.423 2.569 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](CC)CO ZINC000930460511 649253488 /nfs/dbraw/zinc/25/34/88/649253488.db2.gz PBQRWOQWBJZOCB-HNNXBMFYSA-N 0 3 265.401 2.613 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C2CC2)cc1 ZINC000930680682 649305443 /nfs/dbraw/zinc/30/54/43/649305443.db2.gz KWBRHWSUOCAYQL-UHFFFAOYSA-N 0 3 285.391 2.641 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000930694092 649308228 /nfs/dbraw/zinc/30/82/28/649308228.db2.gz XHKOGTKBZNOGOA-MCIONIFRSA-N 0 3 295.427 2.771 20 30 CFEDHN N#CC[C@]1(O)CCN(C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000930819230 649330997 /nfs/dbraw/zinc/33/09/97/649330997.db2.gz UXCVYYVHYPXKSH-CVEARBPZSA-N 0 3 292.423 2.609 20 30 CFEDHN C#CC1CCN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930822311 649331775 /nfs/dbraw/zinc/33/17/75/649331775.db2.gz UZMIXBJWMQYKSE-OLZOCXBDSA-N 0 3 275.314 2.832 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000930863298 649338967 /nfs/dbraw/zinc/33/89/67/649338967.db2.gz NXIAGRHRPTVLSW-ZDUSSCGKSA-N 0 3 263.291 2.574 20 30 CFEDHN N#Cc1cc(Cl)cc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000930929232 649352428 /nfs/dbraw/zinc/35/24/28/649352428.db2.gz NVHQSMRKVWFLRI-IJEWVQPXSA-N 0 3 290.794 2.804 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(C(C)C)nc2CC)CC1 ZINC000931150182 649387743 /nfs/dbraw/zinc/38/77/43/649387743.db2.gz YLNAQGBQJNIAIX-UHFFFAOYSA-N 0 3 286.419 2.728 20 30 CFEDHN C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C[C@H](O)CC#N ZINC000931529473 649447970 /nfs/dbraw/zinc/44/79/70/649447970.db2.gz VRQZJXDVELKEPK-CJNGLKHVSA-N 0 3 294.345 2.636 20 30 CFEDHN C[C@H](CCC#N)N1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC000931992791 649521364 /nfs/dbraw/zinc/52/13/64/649521364.db2.gz UIYYUUIFYGEMNZ-OLZOCXBDSA-N 0 3 295.427 2.914 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cncc(Cl)c2)CC1 ZINC000932113556 649539069 /nfs/dbraw/zinc/53/90/69/649539069.db2.gz BVGVGBZKOKLBHZ-UHFFFAOYSA-N 0 3 294.786 2.507 20 30 CFEDHN Cc1nc(CC2CCN(Cc3cccc(C#N)c3)CC2)no1 ZINC000932246829 649568140 /nfs/dbraw/zinc/56/81/40/649568140.db2.gz KZSUJDOFXAIAIC-UHFFFAOYSA-N 0 3 296.374 2.704 20 30 CFEDHN CCOC(=O)[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000932637761 649632211 /nfs/dbraw/zinc/63/22/11/649632211.db2.gz CUMBRWRDYIQGBM-SWLSCSKDSA-N 0 3 272.348 2.504 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CCNC(=O)O2)CC1 ZINC000932760727 649641505 /nfs/dbraw/zinc/64/15/05/649641505.db2.gz UKLHKGIDDFMBKH-CYBMUJFWSA-N 0 3 299.374 2.584 20 30 CFEDHN C=CC[C@@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccncc1 ZINC000932885900 649656692 /nfs/dbraw/zinc/65/66/92/649656692.db2.gz FWEGYMYGMCGCQX-HZPDHXFCSA-N 0 3 287.407 2.688 20 30 CFEDHN N#CCCCN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933070098 649669330 /nfs/dbraw/zinc/66/93/30/649669330.db2.gz SFNDKWWPQLDFGU-OAHLLOKOSA-N 0 3 286.375 2.641 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000933169251 649677400 /nfs/dbraw/zinc/67/74/00/649677400.db2.gz CHGGCVJROKVUOT-UKRRQHHQSA-N 0 3 286.375 2.640 20 30 CFEDHN CCC1(CC)CNC(=O)[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000933288851 649685097 /nfs/dbraw/zinc/68/50/97/649685097.db2.gz MFBQORLGBZFRDY-DOMZBBRYSA-N 0 3 285.391 2.514 20 30 CFEDHN C#CCC1([NH2+]Cc2cc(=O)[n-]c(-c3ccccc3)n2)CCC1 ZINC000933294307 649685540 /nfs/dbraw/zinc/68/55/40/649685540.db2.gz HUMPZXYRXXJFCF-UHFFFAOYSA-N 0 3 293.370 2.885 20 30 CFEDHN C#CCC1(NCC(=O)N(CC)c2ccccc2)CCC1 ZINC000933303831 649686029 /nfs/dbraw/zinc/68/60/29/649686029.db2.gz RZVUVISHEAGRNI-UHFFFAOYSA-N 0 3 270.376 2.575 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc(CC)cc2)CCC1 ZINC000933299702 649686358 /nfs/dbraw/zinc/68/63/58/649686358.db2.gz IHLHMVKSVIHPDZ-UHFFFAOYSA-N 0 3 270.376 2.723 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933658197 649711363 /nfs/dbraw/zinc/71/13/63/649711363.db2.gz YFFZMEFAPXOUPH-YJBOKZPZSA-N 0 3 298.386 2.855 20 30 CFEDHN C=CCCCCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933683624 649714307 /nfs/dbraw/zinc/71/43/07/649714307.db2.gz KGISCBVWLDEIQY-LSDHHAIUSA-N 0 3 253.386 2.613 20 30 CFEDHN C#CCCCCCCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933689908 649714525 /nfs/dbraw/zinc/71/45/25/649714525.db2.gz RMKDEAXWTIKRHR-SJORKVTESA-N 0 3 279.424 2.840 20 30 CFEDHN N#Cc1cncc(CN2CCCSC[C@H]2C2CC2)c1 ZINC000933913620 649731194 /nfs/dbraw/zinc/73/11/94/649731194.db2.gz UPRORDQTBWNIDB-HNNXBMFYSA-N 0 3 273.405 2.671 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCN1c1ccccc1 ZINC000934323455 649774233 /nfs/dbraw/zinc/77/42/33/649774233.db2.gz YWETYQNCZMXDEV-VYDXJSESSA-N 0 3 269.392 2.889 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(OC)cn1 ZINC000934347953 649778354 /nfs/dbraw/zinc/77/83/54/649778354.db2.gz APECQQAXUSAKET-CJNGLKHVSA-N 0 3 276.380 2.554 20 30 CFEDHN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000934471321 649791135 /nfs/dbraw/zinc/79/11/35/649791135.db2.gz ICYKXPNJYZUGNH-WMLDXEAASA-N 0 3 284.403 2.610 20 30 CFEDHN C[C@@](CO)(NCCCC#N)c1cccc(Br)c1 ZINC000934495333 649795224 /nfs/dbraw/zinc/79/52/24/649795224.db2.gz NPAHLKYNEVPONW-ZDUSSCGKSA-N 0 3 297.196 2.550 20 30 CFEDHN C#C[C@@H]1CCCCN1Cc1cc2ccccc2n(C)c1=O ZINC000934516063 649796935 /nfs/dbraw/zinc/79/69/35/649796935.db2.gz BUKRFAZARNYVEJ-MRXNPFEDSA-N 0 3 280.371 2.526 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1CC1CCOCC1 ZINC000934642912 649811073 /nfs/dbraw/zinc/81/10/73/649811073.db2.gz WCNHFTOUJASWTM-INIZCTEOSA-N 0 3 294.439 2.834 20 30 CFEDHN CSCC(C)(C)NCC#Cc1ccc(F)cc1 ZINC000934670866 649814180 /nfs/dbraw/zinc/81/41/80/649814180.db2.gz WBZVXUNNYMMNPY-UHFFFAOYSA-N 0 3 251.370 2.908 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001007325871 651133408 /nfs/dbraw/zinc/13/34/08/651133408.db2.gz DFEZXJGXXYADNE-CVEARBPZSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001008338178 651146499 /nfs/dbraw/zinc/14/64/99/651146499.db2.gz FFOASGXLAIRDGD-LBPRGKRZSA-N 0 3 294.345 2.735 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008625709 651151223 /nfs/dbraw/zinc/15/12/23/651151223.db2.gz AWJMLQHCHROLEV-MRXNPFEDSA-N 0 3 284.403 2.521 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001008645249 651151432 /nfs/dbraw/zinc/15/14/32/651151432.db2.gz LJUXUJUFYHEMEM-LBPRGKRZSA-N 0 3 293.798 2.505 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001009279980 651158001 /nfs/dbraw/zinc/15/80/01/651158001.db2.gz DAUWRVAZBNAVKO-LBPRGKRZSA-N 0 3 293.798 2.505 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009699152 651164541 /nfs/dbraw/zinc/16/45/41/651164541.db2.gz UZDLIHARXRZDLB-UYSNPLJNSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001014582368 651189172 /nfs/dbraw/zinc/18/91/72/651189172.db2.gz DEZPDUKRCGMDPA-CYBMUJFWSA-N 0 3 278.421 2.745 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001014841106 651192534 /nfs/dbraw/zinc/19/25/34/651192534.db2.gz JPZGDFYAWHEKOU-SNVBAGLBSA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001015142610 651195723 /nfs/dbraw/zinc/19/57/23/651195723.db2.gz GFMDAYRILFWCDQ-CYBMUJFWSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001015624167 651206646 /nfs/dbraw/zinc/20/66/46/651206646.db2.gz FNLVAPLOJSIXJC-HNNXBMFYSA-N 0 3 272.392 2.629 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001016159004 651226105 /nfs/dbraw/zinc/22/61/05/651226105.db2.gz JAMPSCZUKXFFPL-INIZCTEOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016221653 651228764 /nfs/dbraw/zinc/22/87/64/651228764.db2.gz KXBRTNVLUXMHIZ-KRWDZBQOSA-N 0 3 284.403 2.556 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016362377 651231665 /nfs/dbraw/zinc/23/16/65/651231665.db2.gz MFGUGNQELFRLTR-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001016358444 651231679 /nfs/dbraw/zinc/23/16/79/651231679.db2.gz ZAIJDMVOYVQDFL-CYBMUJFWSA-N 0 3 299.374 2.516 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016375340 651232043 /nfs/dbraw/zinc/23/20/43/651232043.db2.gz VXDQEXYLKZIUMK-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN CC#CCN1CCC2(C[C@@H]2NC(=O)c2ccccc2C)CC1 ZINC001016488880 651235724 /nfs/dbraw/zinc/23/57/24/651235724.db2.gz JIGHHYASMIJYIT-KRWDZBQOSA-N 0 3 296.414 2.603 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001017487064 651252966 /nfs/dbraw/zinc/25/29/66/651252966.db2.gz DLXQFMGUCXFMJU-ZNMIVQPWSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001017653068 651254977 /nfs/dbraw/zinc/25/49/77/651254977.db2.gz PYKKNFNJOJXEQD-YESZJQIVSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001017875715 651260805 /nfs/dbraw/zinc/26/08/05/651260805.db2.gz QMPDNIAWXQUNGZ-HDICACEKSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001018129855 651265567 /nfs/dbraw/zinc/26/55/67/651265567.db2.gz ZOWZXKXFJSZBOY-KYHPRHEASA-N 0 3 290.451 2.920 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001018129848 651265654 /nfs/dbraw/zinc/26/56/54/651265654.db2.gz ZOWZXKXFJSZBOY-HPFXQQBRSA-N 0 3 290.451 2.920 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001019461405 651285860 /nfs/dbraw/zinc/28/58/60/651285860.db2.gz QOXIWWVQLBBFAB-SJORKVTESA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001020141034 651297620 /nfs/dbraw/zinc/29/76/20/651297620.db2.gz AFXIQNURFMARGD-YVECIDJPSA-N 0 3 288.794 2.504 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001020372106 651302896 /nfs/dbraw/zinc/30/28/96/651302896.db2.gz KGYHIRAYAMOREX-JOCQHMNTSA-N 0 3 296.798 2.808 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085859457 782190136 /nfs/dbraw/zinc/19/01/36/782190136.db2.gz ATPVJUUHUHRMOA-KURKYZTESA-N 0 3 298.430 2.899 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085884138 782195335 /nfs/dbraw/zinc/19/53/35/782195335.db2.gz VPUVXUQDHVEGHN-INIZCTEOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961288 782221719 /nfs/dbraw/zinc/22/17/19/782221719.db2.gz BUWZUYOLUZCMBO-HNNXBMFYSA-N 0 3 294.345 2.687 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2ccccc2)C1 ZINC001086015140 782240333 /nfs/dbraw/zinc/24/03/33/782240333.db2.gz ZSPAIVHLESBUPU-XBXGTLAGSA-N 0 3 278.783 2.537 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001086052107 782249063 /nfs/dbraw/zinc/24/90/63/782249063.db2.gz ALKLDFWQYZWMLH-OYQDBORRSA-N 0 3 296.842 2.660 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001086119019 782265201 /nfs/dbraw/zinc/26/52/01/782265201.db2.gz YRBUEUSMDLWSBL-HZSPNIEDSA-N 0 3 296.842 2.804 20 30 CFEDHN C=Cc1ccc(C(=O)NCCCNCC(=C)Cl)cc1 ZINC001167222584 770156148 /nfs/dbraw/zinc/15/61/48/770156148.db2.gz MARCPVIGRGBCHN-UHFFFAOYSA-N 0 3 278.783 2.792 20 30 CFEDHN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001266943253 770760259 /nfs/dbraw/zinc/76/02/59/770760259.db2.gz OWZDJSPFWKCBTI-LBPRGKRZSA-N 0 3 291.420 2.570 20 30 CFEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001267102559 770901367 /nfs/dbraw/zinc/90/13/67/770901367.db2.gz IHIAJJNLGHHQFE-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1COc2ccccc2C1 ZINC000328403853 777711879 /nfs/dbraw/zinc/71/18/79/777711879.db2.gz WKPAHGFUOXTKCA-QGZVFWFLSA-N 0 3 293.366 2.792 20 30 CFEDHN Cc1ccoc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000128137696 778483171 /nfs/dbraw/zinc/48/31/71/778483171.db2.gz JCHWYUCTYWBXBG-LBPRGKRZSA-N 0 3 268.272 2.549 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235779028 778558372 /nfs/dbraw/zinc/55/83/72/778558372.db2.gz PCJHWQYIYCBAMU-HIFRSBDPSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2csc(C)n2)C1 ZINC001034364701 780959659 /nfs/dbraw/zinc/95/96/59/780959659.db2.gz VVIACHZSMJBSED-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C(C)CN(CC)c1cc(Cl)nc2c1CCNC2 ZINC001167051220 769849598 /nfs/dbraw/zinc/84/95/98/769849598.db2.gz ZJRGNLLCSJUUSH-UHFFFAOYSA-N 0 3 265.788 2.783 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1oc(C(F)F)cc1C ZINC001266284702 769883802 /nfs/dbraw/zinc/88/38/02/769883802.db2.gz IBVUIUAEBBBIRJ-UHFFFAOYSA-N 0 3 286.322 2.763 20 30 CFEDHN C=CCOCCN(C)CCNC(=O)C1CCCCCCC1 ZINC001266295392 769920522 /nfs/dbraw/zinc/92/05/22/769920522.db2.gz IGEKCIUNBYHKBT-UHFFFAOYSA-N 0 3 296.455 2.598 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCC[C@H](NC[C@H](F)CC)C1 ZINC001208964072 769968099 /nfs/dbraw/zinc/96/80/99/769968099.db2.gz XJFSWYJADDQBGC-OLZOCXBDSA-N 0 3 270.392 2.527 20 30 CFEDHN C=CCN(C)CCNC(=O)Cc1coc2cc(C)ccc12 ZINC001266356384 770013574 /nfs/dbraw/zinc/01/35/74/770013574.db2.gz BPMPTCGEJLICGA-UHFFFAOYSA-N 0 3 286.375 2.518 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccc2ncsc2c1 ZINC001266356677 770013702 /nfs/dbraw/zinc/01/37/02/770013702.db2.gz GLQWDTNSPRMNBB-UHFFFAOYSA-N 0 3 289.404 2.534 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@H](CCC)c1ccccc1 ZINC001266357324 770014480 /nfs/dbraw/zinc/01/44/80/770014480.db2.gz UQLUIGMYGBZAIA-MRXNPFEDSA-N 0 3 274.408 2.804 20 30 CFEDHN C=CCN1CCC(N(CCC)C(=O)CC(C)(F)F)CC1 ZINC001266390205 770066613 /nfs/dbraw/zinc/06/66/13/770066613.db2.gz OEZCURXZFYJCHV-UHFFFAOYSA-N 0 3 288.382 2.921 20 30 CFEDHN C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001039196640 770302253 /nfs/dbraw/zinc/30/22/53/770302253.db2.gz ARFFOBFQFBOARQ-CABCVRRESA-N 0 3 292.398 2.586 20 30 CFEDHN C#CCN(CCC)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001266572998 770357684 /nfs/dbraw/zinc/35/76/84/770357684.db2.gz DQAQJKLUMZFRCQ-HOTGVXAUSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(C)CN(CCNC(=O)[C@@]1(C)CC=CCC1)C1CC1 ZINC001266594328 770396415 /nfs/dbraw/zinc/39/64/15/770396415.db2.gz JCBOWANOGZRVRP-KRWDZBQOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CC[C@@H](C(=O)OC)N1CCC[C@]2(CC=CCC2)C1 ZINC001167381887 770402160 /nfs/dbraw/zinc/40/21/60/770402160.db2.gz RQNMHIPCNGSGMX-GOEBONIOSA-N 0 3 263.381 2.926 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001266856215 770681032 /nfs/dbraw/zinc/68/10/32/770681032.db2.gz LUFQBOMHWWIEBA-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H]1CNC(=O)Cc1ccc(C)s1 ZINC001266859744 770687087 /nfs/dbraw/zinc/68/70/87/770687087.db2.gz OSYRQRVFXCWAHK-AWEZNQCLSA-N 0 3 292.448 2.756 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CC[C@H](NCc2cccnc2)C1 ZINC001267011455 770805498 /nfs/dbraw/zinc/80/54/98/770805498.db2.gz QGOAOJWSUHUXAA-KRWDZBQOSA-N 0 3 299.418 2.541 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H](NCCF)C1)c1ccccc1 ZINC001267026281 770823895 /nfs/dbraw/zinc/82/38/95/770823895.db2.gz KYIPBDIWHXBCLY-ZBFHGGJFSA-N 0 3 290.382 2.506 20 30 CFEDHN C=C[C@H](CC)CC(=O)N1CCC[C@@H](N(C)CC#CC)C1 ZINC001267110828 770911487 /nfs/dbraw/zinc/91/14/87/770911487.db2.gz JJFLTTLDCWOHPC-HZPDHXFCSA-N 0 3 276.424 2.535 20 30 CFEDHN CC#CCN(C)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC001267113216 770913993 /nfs/dbraw/zinc/91/39/93/770913993.db2.gz GSWBXMBBYIHDAY-GOSISDBHSA-N 0 3 298.430 2.565 20 30 CFEDHN C#Cc1ccc(C(=O)NCC[C@H](C)NCC(=C)Cl)cc1 ZINC001267139617 770934533 /nfs/dbraw/zinc/93/45/33/770934533.db2.gz JRNBYMRUBCKAMT-ZDUSSCGKSA-N 0 3 290.794 2.518 20 30 CFEDHN C=CCCC(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001267187715 773193139 /nfs/dbraw/zinc/19/31/39/773193139.db2.gz ANHUADBHNZIMJS-UHFFFAOYSA-N 0 3 274.408 2.818 20 30 CFEDHN C#CCCN(C)CCNC(=O)c1ccc(CC(C)C)s1 ZINC001267199156 773203654 /nfs/dbraw/zinc/20/36/54/773203654.db2.gz IHNDLSSDAZEIEL-UHFFFAOYSA-N 0 3 292.448 2.632 20 30 CFEDHN C=CCN(C)CCNC(=O)CC1CC(c2ccccc2)C1 ZINC001267204563 773207356 /nfs/dbraw/zinc/20/73/56/773207356.db2.gz FSALNQYIBPCQOL-UHFFFAOYSA-N 0 3 286.419 2.804 20 30 CFEDHN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001279613018 773234143 /nfs/dbraw/zinc/23/41/43/773234143.db2.gz INXNNVBDHXLUGN-OWCLPIDISA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN(CC)CCNC(=O)[C@H](C)c1c(F)cccc1F ZINC001267244701 773255303 /nfs/dbraw/zinc/25/53/03/773255303.db2.gz NDPCYZQTMRZIIO-GFCCVEGCSA-N 0 3 296.361 2.692 20 30 CFEDHN C=C1CCC(C(=O)NCCN(CC)CCOC(C)C)CC1 ZINC001267251303 775102273 /nfs/dbraw/zinc/10/22/73/775102273.db2.gz AYJUBTMQUHVZGQ-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN(CC)CCNC(=O)[C@@H]1CCCCC1(C)C ZINC001267257452 775110420 /nfs/dbraw/zinc/11/04/20/775110420.db2.gz WPTBXGLTCQQACL-AWEZNQCLSA-N 0 3 266.429 2.827 20 30 CFEDHN CC(C)(NCc1cncc(C#N)c1)c1ccccc1 ZINC000721522684 775121787 /nfs/dbraw/zinc/12/17/87/775121787.db2.gz LPEVTZNSYMDCSF-UHFFFAOYSA-N 0 3 251.333 2.978 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001267268254 775127411 /nfs/dbraw/zinc/12/74/11/775127411.db2.gz YNFNOBOOJOQNEG-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001267276585 775143019 /nfs/dbraw/zinc/14/30/19/775143019.db2.gz OOWZRBOIUZMQAJ-GOSISDBHSA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CCCO[C@@H]1C[C@@H]2[C@H](OC(C)=O)C[C@H](C1)N2C ZINC001224282597 775144204 /nfs/dbraw/zinc/14/42/04/775144204.db2.gz SIAWDYLRQRCQED-CAOSSQGBSA-N 0 3 281.396 2.526 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001224418318 775179771 /nfs/dbraw/zinc/17/97/71/775179771.db2.gz HCQXGORKFSRMAQ-YJBOKZPZSA-N 0 3 290.451 2.664 20 30 CFEDHN C=C(C)CN(CCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21)C1CC1 ZINC001267328120 775208140 /nfs/dbraw/zinc/20/81/40/775208140.db2.gz LKPXKUPAFOMSLF-OFQRWUPVSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCCN[C@H](CNC(=O)C[C@H](C)CC)c1ccccc1 ZINC001267357197 775244511 /nfs/dbraw/zinc/24/45/11/775244511.db2.gz LFDROMKFNUCXSM-NVXWUHKLSA-N 0 3 286.419 2.893 20 30 CFEDHN C=C(C)CN[C@H](CNC(=O)Cc1ccoc1)c1ccccc1 ZINC001267356715 775244647 /nfs/dbraw/zinc/24/46/47/775244647.db2.gz HKAIQCAVSCIYIG-QGZVFWFLSA-N 0 3 298.386 2.845 20 30 CFEDHN CC(C)C(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001224816412 775282041 /nfs/dbraw/zinc/28/20/41/775282041.db2.gz YPUOEKMHJOSRDW-QZTJIDSGSA-N 0 3 298.430 2.711 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)c3ccc(CC)o3)C[C@@H]21 ZINC001042119133 775282896 /nfs/dbraw/zinc/28/28/96/775282896.db2.gz FPBLCKKHNWRTSV-ZFWWWQNUSA-N 0 3 288.391 2.564 20 30 CFEDHN CC#CCN1CCC(CNC(=O)CC[C@H](C)CC)CC1 ZINC001224940222 775312978 /nfs/dbraw/zinc/31/29/78/775312978.db2.gz KLHIMYNIWNFXGX-OAHLLOKOSA-N 0 3 278.440 2.664 20 30 CFEDHN CC#CCNCCN(C)C(=O)C[C@@H](C)C1CCCCC1 ZINC001267441461 775327589 /nfs/dbraw/zinc/32/75/89/775327589.db2.gz NCUHTTMIWOJLAS-OAHLLOKOSA-N 0 3 278.440 2.664 20 30 CFEDHN CN(C)Cc1ccc(NCCc2ccc(C#N)cc2)nc1 ZINC001167678891 775339854 /nfs/dbraw/zinc/33/98/54/775339854.db2.gz ZUMVWFIKPNQYHO-UHFFFAOYSA-N 0 3 280.375 2.669 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc(F)c[nH]2)C1 ZINC001267473098 775371088 /nfs/dbraw/zinc/37/10/88/775371088.db2.gz AFTUBMIROWFENT-CQSZACIVSA-N 0 3 293.386 2.656 20 30 CFEDHN C=C1O[C@H](CC)C(=O)C1Oc1ccc(CN(C)C)cc1 ZINC001225335329 775417351 /nfs/dbraw/zinc/41/73/51/775417351.db2.gz ZSHDYJCCTQAKFR-CQSZACIVSA-N 0 3 275.348 2.736 20 30 CFEDHN C#CCCN1CC[C@H](N(CCC)C(=O)[C@H](C)CCC)C1 ZINC001267537263 775444453 /nfs/dbraw/zinc/44/44/53/775444453.db2.gz HAOGYDOEAYEYST-CVEARBPZSA-N 0 3 278.440 2.759 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2[nH]ccc2C)C1 ZINC001267540454 775447607 /nfs/dbraw/zinc/44/76/07/775447607.db2.gz NVUSBGQYDJDRLS-HNNXBMFYSA-N 0 3 289.423 2.826 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C/C ZINC001225592078 775515473 /nfs/dbraw/zinc/51/54/73/775515473.db2.gz BDJAXVVYMJHHTG-YVGJYECESA-N 0 3 270.804 2.722 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C\C ZINC001225592077 775515483 /nfs/dbraw/zinc/51/54/83/775515483.db2.gz BDJAXVVYMJHHTG-KSNZYYIMSA-N 0 3 270.804 2.722 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCC1 ZINC001025187690 775560790 /nfs/dbraw/zinc/56/07/90/775560790.db2.gz BXNFCKOQUGNSIL-IAGOWNOFSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025325671 775604623 /nfs/dbraw/zinc/60/46/23/775604623.db2.gz IZKJPBVRHNWFGA-UONOGXRCSA-N 0 3 290.432 2.520 20 30 CFEDHN C[C@@H](COCC(F)(F)F)NCC#Cc1ccccc1 ZINC000892684042 775616990 /nfs/dbraw/zinc/61/69/90/775616990.db2.gz PKZUNEKBERFLHT-LBPRGKRZSA-N 0 3 271.282 2.595 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@H]21 ZINC001042236623 775630056 /nfs/dbraw/zinc/63/00/56/775630056.db2.gz DAXZDMLWWBLXGY-CHWSQXEVSA-N 0 3 298.377 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C[C@@H]21 ZINC001042236624 775630318 /nfs/dbraw/zinc/63/03/18/775630318.db2.gz DAXZDMLWWBLXGY-OLZOCXBDSA-N 0 3 298.377 2.531 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)[C@H](CC)SC)C1 ZINC001267611852 775668879 /nfs/dbraw/zinc/66/88/79/775668879.db2.gz MPUBMHMNDWXIRT-KGLIPLIRSA-N 0 3 284.469 2.675 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CC)C1 ZINC001025517854 775688229 /nfs/dbraw/zinc/68/82/29/775688229.db2.gz BHAJDCDSHGJORE-NVXWUHKLSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CC)C1 ZINC001025517853 775688359 /nfs/dbraw/zinc/68/83/59/775688359.db2.gz BHAJDCDSHGJORE-DOTOQJQBSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC001025535340 775693212 /nfs/dbraw/zinc/69/32/12/775693212.db2.gz PXGQCZGVVPSVCQ-DLBZAZTESA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC001025535358 775693428 /nfs/dbraw/zinc/69/34/28/775693428.db2.gz PXGQCZGVVPSVCQ-SJORKVTESA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001267621327 775704642 /nfs/dbraw/zinc/70/46/42/775704642.db2.gz UGFDVUARRRBFPF-MRXNPFEDSA-N 0 3 288.435 2.727 20 30 CFEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603731 775706366 /nfs/dbraw/zinc/70/63/66/775706366.db2.gz XEVOALGQBMAPSC-WMZOPIPTSA-N 0 3 298.430 2.849 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603287 775706630 /nfs/dbraw/zinc/70/66/30/775706630.db2.gz TUAHVHQMNCCVPQ-LUKYLMHMSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001267623324 775707617 /nfs/dbraw/zinc/70/76/17/775707617.db2.gz LBQJPRGNEFEKMA-AWEZNQCLSA-N 0 3 292.448 2.837 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC001025609169 775707857 /nfs/dbraw/zinc/70/78/57/775707857.db2.gz FIDQNHZHFXQMMH-IAGOWNOFSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCCCC(=O)N1CC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001267637528 775724100 /nfs/dbraw/zinc/72/41/00/775724100.db2.gz FEFMKKLWUIXUFJ-XMELGKRDSA-N 0 3 296.842 2.713 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001283723278 775732453 /nfs/dbraw/zinc/73/24/53/775732453.db2.gz OMQVFBOHXMCRGX-CVEARBPZSA-N 0 3 286.419 2.558 20 30 CFEDHN C[C@H](C#N)CNCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000695253615 775748758 /nfs/dbraw/zinc/74/87/58/775748758.db2.gz QPYUZWQGOLSPNG-CYBMUJFWSA-N 0 3 295.427 2.773 20 30 CFEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCOCCC#N ZINC000294670154 775757899 /nfs/dbraw/zinc/75/78/99/775757899.db2.gz RULOJUJRNPSUQA-LBPRGKRZSA-N 0 3 278.400 2.527 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CCC(C)C ZINC001038345957 775795306 /nfs/dbraw/zinc/79/53/06/775795306.db2.gz SKRBULUTFDRNDJ-HNNXBMFYSA-N 0 3 289.423 2.524 20 30 CFEDHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/CC ZINC001267711688 775799625 /nfs/dbraw/zinc/79/96/25/775799625.db2.gz CVGGXQYUBFPJHE-IWDGFTLQSA-N 0 3 288.435 2.821 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001226434514 775821583 /nfs/dbraw/zinc/82/15/83/775821583.db2.gz LSGMZQREQHLMNX-HUUCEWRRSA-N 0 3 282.403 2.741 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001267728381 775823232 /nfs/dbraw/zinc/82/32/32/775823232.db2.gz AOYUSUVSGCYPLJ-CABCVRRESA-N 0 3 278.440 2.663 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)C[C@H](C)CCC)CC1 ZINC001226512412 775855442 /nfs/dbraw/zinc/85/54/42/775855442.db2.gz YMIZUUKDBUTLFW-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN CN1CCC(Oc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC001226547639 775868952 /nfs/dbraw/zinc/86/89/52/775868952.db2.gz XIXDMYRCSSMFRR-UHFFFAOYSA-N 0 3 273.380 2.724 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H](N(C)C(=O)c2ccns2)C1 ZINC001267762140 775891949 /nfs/dbraw/zinc/89/19/49/775891949.db2.gz DIEXNZPJVUWKBP-QWHCGFSZSA-N 0 3 293.436 2.644 20 30 CFEDHN C=C[C@@]1(C)CC[C@@H](Oc2ccnc(N)c2)C(C)(C)O1 ZINC001226654546 775905452 /nfs/dbraw/zinc/90/54/52/775905452.db2.gz ZRRCYDOKKUANMW-DOMZBBRYSA-N 0 3 262.353 2.945 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(CCOC(C)C)C1 ZINC001267774259 775914521 /nfs/dbraw/zinc/91/45/21/775914521.db2.gz VIQVUYCGYJURMW-HNNXBMFYSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267776229 775917848 /nfs/dbraw/zinc/91/78/48/775917848.db2.gz HSGLTLBGCRVEOQ-LSDHHAIUSA-N 0 3 266.429 2.777 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)C(CC)CC)C1 ZINC001267781469 775925321 /nfs/dbraw/zinc/92/53/21/775925321.db2.gz ILBLPRDKXSQILJ-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CC2CCC2)C1 ZINC001267784473 775928233 /nfs/dbraw/zinc/92/82/33/775928233.db2.gz KBFTZWZZXDMCJW-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN CCC(=O)NC[C@H](CC)NCC#Cc1cccc(Cl)c1 ZINC001267794376 775935336 /nfs/dbraw/zinc/93/53/36/775935336.db2.gz NURKKMHUNPMOJU-HNNXBMFYSA-N 0 3 292.810 2.586 20 30 CFEDHN C=CCCCCCN1CC2(C[C@@H]2C(=O)N2CCCCO2)C1 ZINC001277151708 775941121 /nfs/dbraw/zinc/94/11/21/775941121.db2.gz GXNGPCSYBJDBFT-OAHLLOKOSA-N 0 3 292.423 2.609 20 30 CFEDHN C=CCCCCCCN1CCc2nc(C(N)=O)ccc2C1 ZINC001277153297 775974655 /nfs/dbraw/zinc/97/46/55/775974655.db2.gz SOKQDQWHWQFVGT-UHFFFAOYSA-N 0 3 287.407 2.675 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC001267885082 776011510 /nfs/dbraw/zinc/01/15/10/776011510.db2.gz KNORIUHIUAXBCV-CYBMUJFWSA-N 0 3 295.814 2.599 20 30 CFEDHN C=CCC[C@@H](C)N1CCC[C@@H](NC(=O)c2cncs2)C1 ZINC001267910011 776034199 /nfs/dbraw/zinc/03/41/99/776034199.db2.gz PLQQCGXOIFKHOL-CHWSQXEVSA-N 0 3 293.436 2.692 20 30 CFEDHN C#CCCCCC(=O)NCCNCc1cccc(Cl)c1 ZINC001125935382 776098338 /nfs/dbraw/zinc/09/83/38/776098338.db2.gz ZLOFWBRXDPUOJQ-UHFFFAOYSA-N 0 3 292.810 2.739 20 30 CFEDHN N#Cc1cccc(F)c1OC1CCN(C2CC2)CC1 ZINC001227287163 776170137 /nfs/dbraw/zinc/17/01/37/776170137.db2.gz GDPQTPLOBYBOQX-UHFFFAOYSA-N 0 3 260.312 2.703 20 30 CFEDHN N#Cc1ccc([O-])c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001227344814 776180000 /nfs/dbraw/zinc/18/00/00/776180000.db2.gz DLGLFQVHSXGQRZ-INIZCTEOSA-N 0 3 294.354 2.917 20 30 CFEDHN N#Cc1ccc([O-])c(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227344814 776180008 /nfs/dbraw/zinc/18/00/08/776180008.db2.gz DLGLFQVHSXGQRZ-INIZCTEOSA-N 0 3 294.354 2.917 20 30 CFEDHN CN(Cc1csc(C#N)c1)C[C@H]1CCCC[C@H]1O ZINC000893405160 776236493 /nfs/dbraw/zinc/23/64/93/776236493.db2.gz BVLYBYSDSYZRHD-TZMCWYRMSA-N 0 3 264.394 2.603 20 30 CFEDHN CC#CCNC1(CNC(=O)c2cccc3ccccc32)CC1 ZINC001277241008 776292611 /nfs/dbraw/zinc/29/26/11/776292611.db2.gz XHBCSTHWJCNJTM-UHFFFAOYSA-N 0 3 292.382 2.715 20 30 CFEDHN C=CCc1ccc(OC2CCN(C)CC2)c(OC)c1 ZINC001227922697 776329690 /nfs/dbraw/zinc/32/96/90/776329690.db2.gz IZZSEJCWYXDQDG-UHFFFAOYSA-N 0 3 261.365 2.897 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001027691976 776409410 /nfs/dbraw/zinc/40/94/10/776409410.db2.gz XNEVXJJETCRJHM-QZTJIDSGSA-N 0 3 296.414 2.512 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001027698058 776413635 /nfs/dbraw/zinc/41/36/35/776413635.db2.gz BPWHKPYTMGJQML-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccsc1 ZINC001027743624 776438389 /nfs/dbraw/zinc/43/83/89/776438389.db2.gz LWZSTKJRTYNTKP-ZDUSSCGKSA-N 0 3 264.394 2.518 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001027807029 776458141 /nfs/dbraw/zinc/45/81/41/776458141.db2.gz NWTXSJVZBBFYEW-AWEZNQCLSA-N 0 3 276.380 2.667 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963350 776530688 /nfs/dbraw/zinc/53/06/88/776530688.db2.gz KPZVHQQPKXHHQD-CVEARBPZSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001027969081 776532909 /nfs/dbraw/zinc/53/29/09/776532909.db2.gz GGSRNKRTJVKQER-AEFFLSMTSA-N 0 3 298.430 2.873 20 30 CFEDHN CCN1CCC[C@H](OCc2ccc(C#N)s2)C1 ZINC001223288309 776559905 /nfs/dbraw/zinc/55/99/05/776559905.db2.gz HTMMZFOPQMVXES-NSHDSACASA-N 0 3 250.367 2.621 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001028013955 776556388 /nfs/dbraw/zinc/55/63/88/776556388.db2.gz VWPKFTMOSVLLGF-AWEZNQCLSA-N 0 3 297.402 2.857 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001028091522 776611517 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ZINC001028299372 776844751 /nfs/dbraw/zinc/84/47/51/776844751.db2.gz DOCYUOAPSJHGMA-MRXNPFEDSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028308288 776850998 /nfs/dbraw/zinc/85/09/98/776850998.db2.gz BXQVSLVYORAIBF-SFHVURJKSA-N 0 3 298.430 2.946 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)C1CC(c2ccccc2)C1 ZINC001028344458 776865274 /nfs/dbraw/zinc/86/52/74/776865274.db2.gz GHCMYGYOKOKJAU-ABHNRTSZSA-N 0 3 298.430 2.947 20 30 CFEDHN N#CCCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000425972184 776872147 /nfs/dbraw/zinc/87/21/47/776872147.db2.gz WQPVBGZAOQMKTH-JSGCOSHPSA-N 0 3 273.336 2.809 20 30 CFEDHN CC#CCNCCN(CC)C(=O)c1cc(Cl)ccc1C ZINC001268489931 776890899 /nfs/dbraw/zinc/89/08/99/776890899.db2.gz TUIGYCCSNQXTHL-UHFFFAOYSA-N 0 3 292.810 2.723 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)/C=C\C(C)(C)C)[C@@H]1C ZINC001284118588 776892395 /nfs/dbraw/zinc/89/23/95/776892395.db2.gz KMRHFYSPOGEEAR-YHFBFXLGSA-N 0 3 264.413 2.744 20 30 CFEDHN 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ZINC001235856228 778581292 /nfs/dbraw/zinc/58/12/92/778581292.db2.gz WKAPQJJPWMMKMV-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN N#Cc1cc(CN2CCN[C@@H](c3ccccc3)C2)ccc1F ZINC001235860592 778582583 /nfs/dbraw/zinc/58/25/83/778582583.db2.gz VSGFOHRTVUXJSC-GOSISDBHSA-N 0 3 295.361 2.844 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001076344906 778584464 /nfs/dbraw/zinc/58/44/64/778584464.db2.gz FQLZXXMZVKIJGQ-MWDXBVQZSA-N 0 3 288.435 2.531 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001076582270 778596883 /nfs/dbraw/zinc/59/68/83/778596883.db2.gz PYLZANOGFLCKCN-DLBZAZTESA-N 0 3 288.435 2.842 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)[C@@H]2C1 ZINC001076616022 778598826 /nfs/dbraw/zinc/59/88/26/778598826.db2.gz IZULITLDUTWORS-ZWKOTPCHSA-N 0 3 296.414 2.896 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840234 778781415 /nfs/dbraw/zinc/78/14/15/778781415.db2.gz BIWPIEDVLOEQDS-MCIONIFRSA-N 0 3 264.413 2.578 20 30 CFEDHN CN(C)Cc1ccnc(-c2ccc(C#N)cc2F)c1 ZINC001236526436 778860864 /nfs/dbraw/zinc/86/08/64/778860864.db2.gz GODPBWKYJBDRQL-UHFFFAOYSA-N 0 3 255.296 2.821 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1C[C@@H]1c1ccccc1 ZINC001120466283 778895012 /nfs/dbraw/zinc/89/50/12/778895012.db2.gz BMCAVFODXAQDMB-NUEKZKHPSA-N 0 3 253.349 2.823 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)c1cccc(C(F)F)c1 ZINC001277995780 778907818 /nfs/dbraw/zinc/90/78/18/778907818.db2.gz VMJHKXSIDQBZAP-LBPRGKRZSA-N 0 3 294.345 2.698 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)CCC1CCCCC1 ZINC001278004043 778926609 /nfs/dbraw/zinc/92/66/09/778926609.db2.gz XPMKPQRZVNZMKJ-HNNXBMFYSA-N 0 3 278.440 2.807 20 30 CFEDHN C=CC[N@@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236752681 778929446 /nfs/dbraw/zinc/92/94/46/778929446.db2.gz FBYZHGZVHNRQDE-UHFFFAOYSA-N 0 3 286.169 2.781 20 30 CFEDHN C=CC[N@H+](C)Cc1cc(OC)c(Br)cc1[O-] ZINC001236752681 778929452 /nfs/dbraw/zinc/92/94/52/778929452.db2.gz FBYZHGZVHNRQDE-UHFFFAOYSA-N 0 3 286.169 2.781 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC001088922209 778950659 /nfs/dbraw/zinc/95/06/59/778950659.db2.gz YIDUFOXYXPJLRA-OCCSQVGLSA-N 0 3 278.421 2.825 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089003758 778972471 /nfs/dbraw/zinc/97/24/71/778972471.db2.gz HVZRAARQALPZFE-ZBFHGGJFSA-N 0 3 272.392 2.682 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089003544 778972902 /nfs/dbraw/zinc/97/29/02/778972902.db2.gz WBFIGUPSQBIYSV-WBVHZDCISA-N 0 3 284.403 2.519 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1C ZINC001089055075 778982735 /nfs/dbraw/zinc/98/27/35/778982735.db2.gz UTDGGKALKYOTOO-UXLLHSPISA-N 0 3 286.419 2.864 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC001089083326 778990600 /nfs/dbraw/zinc/99/06/00/778990600.db2.gz YVGKWRRQHQGLGU-KGLIPLIRSA-N 0 3 290.451 2.661 20 30 CFEDHN C#CCCCCCC(=O)NC1(C)CCN(CC#CC)CC1 ZINC001278064437 779039754 /nfs/dbraw/zinc/03/97/54/779039754.db2.gz ONLFOVNRTORMGE-UHFFFAOYSA-N 0 3 288.435 2.564 20 30 CFEDHN C#Cc1ccc(CN2CCNC3=CCCC[C@@H]32)cc1 ZINC001237226055 779055759 /nfs/dbraw/zinc/05/57/59/779055759.db2.gz UGXVFUNCRQJJJT-KRWDZBQOSA-N 0 3 252.361 2.510 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001272392301 779075438 /nfs/dbraw/zinc/07/54/38/779075438.db2.gz HBYXMYDZFZHQNB-CYBMUJFWSA-N 0 3 295.814 2.517 20 30 CFEDHN CN(CCc1cccc(F)c1)Cc1ccnc(C#N)c1 ZINC001237469594 779114917 /nfs/dbraw/zinc/11/49/17/779114917.db2.gz ZNOQSODAFNWZDE-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN CCCCCN1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272470752 779116645 /nfs/dbraw/zinc/11/66/45/779116645.db2.gz KAHZZMMRGVIEAW-KRWDZBQOSA-N 0 3 291.439 2.937 20 30 CFEDHN C=CCN(CC=C)Cc1cccc(CC(=O)OC)c1 ZINC001237485224 779118066 /nfs/dbraw/zinc/11/80/66/779118066.db2.gz MPPWIVJMEUMUKG-UHFFFAOYSA-N 0 3 259.349 2.576 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606088 779140405 /nfs/dbraw/zinc/14/04/05/779140405.db2.gz ITGHBJZYHZAYRI-CHWSQXEVSA-N 0 3 268.364 2.684 20 30 CFEDHN C[C@@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237608771 779141992 /nfs/dbraw/zinc/14/19/92/779141992.db2.gz JXKHQYZDIIIISI-CYBMUJFWSA-N 0 3 268.364 2.828 20 30 CFEDHN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001099174668 779145115 /nfs/dbraw/zinc/14/51/15/779145115.db2.gz AAEWEPXAPVNBPQ-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN1CC[C@@]2(CCCN2CCCC(F)(F)F)C1=O ZINC001272505358 779151729 /nfs/dbraw/zinc/15/17/29/779151729.db2.gz CTESHFGOZJWIBH-ZDUSSCGKSA-N 0 3 290.329 2.582 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000176530238 779218407 /nfs/dbraw/zinc/21/84/07/779218407.db2.gz JQYMPMWYDRGFLE-AWEZNQCLSA-N 0 3 270.332 2.999 20 30 CFEDHN O=C1C=C2CN(Cc3cnc(F)cc3Cl)CCC2S1 ZINC001238017928 779233740 /nfs/dbraw/zinc/23/37/40/779233740.db2.gz HUPDLIIEGITBSE-LLVKDONJSA-N 0 3 298.770 2.648 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCCCOC ZINC001234554146 779244296 /nfs/dbraw/zinc/24/42/96/779244296.db2.gz GBDSKMSKGUDQET-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc2cncn21 ZINC001238114295 779256880 /nfs/dbraw/zinc/25/68/80/779256880.db2.gz RBAFSPAWTXXIFT-UHFFFAOYSA-N 0 3 276.343 2.838 20 30 CFEDHN N#Cc1cc(CN2CC(N3CCCCC3)C2)ccc1Cl ZINC001238191159 779275573 /nfs/dbraw/zinc/27/55/73/779275573.db2.gz JJXSTOJUVVEPIZ-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN CCN1CCN(Cc2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC001238195515 779276098 /nfs/dbraw/zinc/27/60/98/779276098.db2.gz IEPCGOBPNWXBEA-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN N#CCCCN1CC[C@]2(CCCN2Cc2ccccc2)C1=O ZINC001272593622 779284820 /nfs/dbraw/zinc/28/48/20/779284820.db2.gz OUQNSEZWCYRJFI-GOSISDBHSA-N 0 3 297.402 2.557 20 30 CFEDHN O=C1C=C2CN(Cc3c(F)ccnc3Cl)CCC2S1 ZINC001238230439 779285180 /nfs/dbraw/zinc/28/51/80/779285180.db2.gz UPZHXABYVXVNTN-LLVKDONJSA-N 0 3 298.770 2.648 20 30 CFEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cc[nH]c1 ZINC001272648910 779388933 /nfs/dbraw/zinc/38/89/33/779388933.db2.gz MQJVKJAAUOTBMZ-KRWDZBQOSA-N 0 3 287.407 2.548 20 30 CFEDHN CCc1cc(CN2CCN(C)C(C)(C)C2)ccc1C#N ZINC001238778061 779391087 /nfs/dbraw/zinc/39/10/87/779391087.db2.gz KHTAIFQJENPUBS-UHFFFAOYSA-N 0 3 271.408 2.647 20 30 CFEDHN C#CCCN1CC[C@@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864906 779399497 /nfs/dbraw/zinc/39/94/97/779399497.db2.gz YGBWEPTZGABMEG-JTTJXQCZSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCC[C@H](C)NC(=O)N[C@@H]1CCNC[C@H]1F ZINC001239204671 779469243 /nfs/dbraw/zinc/46/92/43/779469243.db2.gz JJTKNLNBOFOSJC-BFHYXJOUSA-N 0 3 287.423 2.735 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CC2)CC(C)(C)C1 ZINC001089463833 779488714 /nfs/dbraw/zinc/48/87/14/779488714.db2.gz BJNLXHUZPKCSAO-OAHLLOKOSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCCCCCCNC(=O)N1[C@H](C)CNC[C@H]1C ZINC001239291925 779503920 /nfs/dbraw/zinc/50/39/20/779503920.db2.gz IIAUCHZIFIIZSF-ZIAGYGMSSA-N 0 3 269.433 2.739 20 30 CFEDHN CCCC[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN1 ZINC001239293744 779504236 /nfs/dbraw/zinc/50/42/36/779504236.db2.gz ZKUROQFMBCYYQO-OAHLLOKOSA-N 0 3 286.379 2.554 20 30 CFEDHN C#CCN1CCC([C@H]2CCCN(C(=O)/C(C)=C/C)C2)CC1 ZINC001047232308 779544871 /nfs/dbraw/zinc/54/48/71/779544871.db2.gz MNZQVWYETRERBU-GYKBNXPHSA-N 0 3 288.435 2.536 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001031715980 779548608 /nfs/dbraw/zinc/54/86/08/779548608.db2.gz FZWPGAAQTKMPTO-UHFFFAOYSA-N 0 3 296.414 2.639 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089698921 779572181 /nfs/dbraw/zinc/57/21/81/779572181.db2.gz FLUSZBKHBXVBNF-QLFBSQMISA-N 0 3 278.440 2.825 20 30 CFEDHN N#Cc1ccc(-c2ccc3nc(N)[nH]c3c2)c(F)c1 ZINC001236532317 779577927 /nfs/dbraw/zinc/57/79/27/779577927.db2.gz NYEDQBVLBUGQJF-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN N#Cc1ccc(-c2ccc3[nH]c(N)nc3c2)c(F)c1 ZINC001236532317 779577933 /nfs/dbraw/zinc/57/79/33/779577933.db2.gz NYEDQBVLBUGQJF-UHFFFAOYSA-N 0 3 252.252 2.823 20 30 CFEDHN CC#CCN[C@@H](C)c1ccc(CNC(=O)CCCF)cc1 ZINC001272700695 779660894 /nfs/dbraw/zinc/66/08/94/779660894.db2.gz LWMDKSPCTWYUQA-AWEZNQCLSA-N 0 3 290.382 2.726 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2(C)CC=CC2)cc1 ZINC001272702113 779674111 /nfs/dbraw/zinc/67/41/11/779674111.db2.gz ZEPHVUNSLDELEQ-HNNXBMFYSA-N 0 3 296.414 2.943 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c[nH]1 ZINC001032276594 779805420 /nfs/dbraw/zinc/80/54/20/779805420.db2.gz WUGOTSWDFNYKQE-STQMWFEESA-N 0 3 293.798 2.533 20 30 CFEDHN C=CCCC(=O)NC[C@@]1(C)CN([C@@H](C)CCC=C)CCO1 ZINC001107802532 779901583 /nfs/dbraw/zinc/90/15/83/779901583.db2.gz TVXZWTDBAFFVML-RDJZCZTQSA-N 0 3 294.439 2.514 20 30 CFEDHN C=CCCC(=O)NC[C@@]1(C)CN(CC(CC)CC)CCO1 ZINC001107802580 779901641 /nfs/dbraw/zinc/90/16/41/779901641.db2.gz UXYFTVZJRRMZCV-KRWDZBQOSA-N 0 3 296.455 2.596 20 30 CFEDHN C#CCOCCN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001168543823 779920774 /nfs/dbraw/zinc/92/07/74/779920774.db2.gz WLINQOZEEABVEU-HNNXBMFYSA-N 0 3 265.303 2.655 20 30 CFEDHN CCCCCCCCCOC(=O)N[C@@H]1CCOC12CNC2 ZINC001239317696 779923677 /nfs/dbraw/zinc/92/36/77/779923677.db2.gz HUPUYUDYVDBFSW-CQSZACIVSA-N 0 3 298.427 2.594 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)cc1 ZINC001032505279 779997347 /nfs/dbraw/zinc/99/73/47/779997347.db2.gz LBERORUUXLDXGL-ROUUACIJSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(F)F ZINC001032540830 780019378 /nfs/dbraw/zinc/01/93/78/780019378.db2.gz RWAKJMFIRZXRNH-IHRRRGAJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032558966 780034685 /nfs/dbraw/zinc/03/46/85/780034685.db2.gz PKHGYJCOVCNPOE-GJZGRUSLSA-N 0 3 278.440 2.920 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038524886 780035221 /nfs/dbraw/zinc/03/52/21/780035221.db2.gz KFVORJVJLMDBNE-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN Cc1nc(C2=CCCN(Cc3ccccc3)C2)cnc1C#N ZINC001240385936 780129494 /nfs/dbraw/zinc/12/94/94/780129494.db2.gz RGBBYTRFQIPBHF-UHFFFAOYSA-N 0 3 290.370 2.946 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001032722926 780152851 /nfs/dbraw/zinc/15/28/51/780152851.db2.gz KKWANGVQQLLWAL-HOTGVXAUSA-N 0 3 288.435 2.674 20 30 CFEDHN C=C[C@H](COC)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC001116620710 780201083 /nfs/dbraw/zinc/20/10/83/780201083.db2.gz MGOXCIMBTUBDQH-UKRRQHHQSA-N 0 3 271.364 2.724 20 30 CFEDHN CCC(C)(C)CC(=O)NCCNCc1cccc(C#N)c1 ZINC001128139529 780212885 /nfs/dbraw/zinc/21/28/85/780212885.db2.gz IRVQHMNMNSQLIL-UHFFFAOYSA-N 0 3 287.407 2.590 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)CC2CC2)C12CCC2 ZINC001078529147 780267116 /nfs/dbraw/zinc/26/71/16/780267116.db2.gz MOOJMNNZFCHGIQ-CHWSQXEVSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@@H](NC(=O)C(C)(C)F)C12CCC2 ZINC001078536396 780269322 /nfs/dbraw/zinc/26/93/22/780269322.db2.gz LSMUKXZIIABYBD-GHMZBOCLSA-N 0 3 288.794 2.504 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2ccc(C)cc2C)CC1 ZINC001002099143 780334465 /nfs/dbraw/zinc/33/44/65/780334465.db2.gz UVSCGMYPTCTFBI-UHFFFAOYSA-N 0 3 298.430 2.769 20 30 CFEDHN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C)cc2)C1=O ZINC001272972809 780410778 /nfs/dbraw/zinc/41/07/78/780410778.db2.gz XWXABMWPFJRMGP-SFHVURJKSA-N 0 3 284.403 2.748 20 30 CFEDHN C=C(C)CCC(=O)NCCNCc1cc(F)ccc1C ZINC001128405060 780426526 /nfs/dbraw/zinc/42/65/26/780426526.db2.gz MCVMVQBHQBLWJK-UHFFFAOYSA-N 0 3 278.371 2.696 20 30 CFEDHN C=C(C)CCC(=O)NCCNCc1cc(F)cc(F)c1 ZINC001128405126 780427988 /nfs/dbraw/zinc/42/79/88/780427988.db2.gz PLCBRIDRAQZNRF-UHFFFAOYSA-N 0 3 282.334 2.527 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888477 780500879 /nfs/dbraw/zinc/50/08/79/780500879.db2.gz NLMCVJXKXPGHEP-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032948254 780516932 /nfs/dbraw/zinc/51/69/32/780516932.db2.gz MREOBXGJSZJGHA-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033133686 780577634 /nfs/dbraw/zinc/57/76/34/780577634.db2.gz KHGOQTUKUQFZGZ-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033186250 780609027 /nfs/dbraw/zinc/60/90/27/780609027.db2.gz XKQSXQBWBIVVTG-HOTGVXAUSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033346215 780662280 /nfs/dbraw/zinc/66/22/80/780662280.db2.gz GILNUNKWQGFQTQ-AWEZNQCLSA-N 0 3 289.423 2.861 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001033369831 780667539 /nfs/dbraw/zinc/66/75/39/780667539.db2.gz OATBIJTWNOAQIL-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033410166 780675169 /nfs/dbraw/zinc/67/51/69/780675169.db2.gz OJDWAKILBZUTPI-HIFRSBDPSA-N 0 3 292.448 2.960 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033604681 780728176 /nfs/dbraw/zinc/72/81/76/780728176.db2.gz DSHIWQYBFFKUFK-OAHLLOKOSA-N 0 3 290.382 2.857 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693279 780750188 /nfs/dbraw/zinc/75/01/88/780750188.db2.gz RKIDDEWGQOQMSH-SFHVURJKSA-N 0 3 296.414 2.734 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC001005343074 780782815 /nfs/dbraw/zinc/78/28/15/780782815.db2.gz MJSTXMVHPDOSQO-UHFFFAOYSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033808784 780795060 /nfs/dbraw/zinc/79/50/60/780795060.db2.gz XXUZLONRVHOQFV-QGZVFWFLSA-N 0 3 288.435 2.823 20 30 CFEDHN C=CC(C)(C)CCNCc1ccoc1C(=O)OC ZINC000701849872 780849081 /nfs/dbraw/zinc/84/90/81/780849081.db2.gz ZHWUWXZDENEVEJ-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001034091566 780887250 /nfs/dbraw/zinc/88/72/50/780887250.db2.gz PWWMVKMKRFRSAD-AWEZNQCLSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cnccc2C)C1 ZINC001034147661 780907503 /nfs/dbraw/zinc/90/75/03/780907503.db2.gz YGWFPEBCRFBXGP-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001034185137 780916657 /nfs/dbraw/zinc/91/66/57/780916657.db2.gz TYTJLMNWCZRQCB-HNNXBMFYSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cocc2C)C1 ZINC001034356953 780950650 /nfs/dbraw/zinc/95/06/50/780950650.db2.gz UVOZEUKONXPATG-AWEZNQCLSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034345157 780951796 /nfs/dbraw/zinc/95/17/96/780951796.db2.gz MSHGFMZSSKNRDG-RDJZCZTQSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034358580 780952337 /nfs/dbraw/zinc/95/23/37/780952337.db2.gz MAVIGSWBOAMPDE-JJXSEGSLSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034368389 780955460 /nfs/dbraw/zinc/95/54/60/780955460.db2.gz NBNAVMOZKIQOQM-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034374311 780957203 /nfs/dbraw/zinc/95/72/03/780957203.db2.gz ZAWSZILACLUTHL-WMZOPIPTSA-N 0 3 298.430 2.873 20 30 CFEDHN CN1CCC=C(c2cccc(C3(C#N)CCOCC3)c2)C1 ZINC001241571002 780988728 /nfs/dbraw/zinc/98/87/28/780988728.db2.gz TUAZFBIIUJFYJI-UHFFFAOYSA-N 0 3 282.387 2.977 20 30 CFEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)CCCC=C)C2 ZINC001278334791 781092959 /nfs/dbraw/zinc/09/29/59/781092959.db2.gz FXZYQZALPVGGGL-SFHVURJKSA-N 0 3 288.435 2.681 20 30 CFEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)/C=C(/C)CC)C2 ZINC001278336028 781125678 /nfs/dbraw/zinc/12/56/78/781125678.db2.gz OBQZENQRJVLDJT-BBLCHGJFSA-N 0 3 288.435 2.681 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)C1(C)CCCC1)CC2 ZINC001035763572 781165269 /nfs/dbraw/zinc/16/52/69/781165269.db2.gz IKZBVMABGXYNAG-UHFFFAOYSA-N 0 3 288.435 2.514 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCC2(CN(CC(=C)C)C2)CC1 ZINC001035765263 781165395 /nfs/dbraw/zinc/16/53/95/781165395.db2.gz UTWVWZDCIWXRCB-UHFFFAOYSA-N 0 3 276.424 2.699 20 30 CFEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@](C)(C=C)CC)CC2 ZINC001035788127 781169903 /nfs/dbraw/zinc/16/99/03/781169903.db2.gz WNLXQLVCRMXRBY-QGZVFWFLSA-N 0 3 288.435 2.536 20 30 CFEDHN C=CCCCC(=O)NC[C@]1(C)CN(C[C@@H](C)CC)CCO1 ZINC001108169111 781409681 /nfs/dbraw/zinc/40/96/81/781409681.db2.gz KGLBPWNZWAAALU-DOTOQJQBSA-N 0 3 296.455 2.596 20 30 CFEDHN N#Cc1ncc(Cl)cc1N[C@H]1CNCc2ccsc21 ZINC001163228252 781410455 /nfs/dbraw/zinc/41/04/55/781410455.db2.gz JXCSWFSVBAGTJR-LBPRGKRZSA-N 0 3 290.779 2.925 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001080095904 781635945 /nfs/dbraw/zinc/63/59/45/781635945.db2.gz IULNJTGUWWIXOX-CRAIPNDOSA-N 0 3 298.430 2.713 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001080128519 781638004 /nfs/dbraw/zinc/63/80/04/781638004.db2.gz MBXNVXWRPLKXDO-ZTFGCOKTSA-N 0 3 298.430 2.803 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2C)cc1 ZINC001080244719 781643955 /nfs/dbraw/zinc/64/39/55/781643955.db2.gz INIQHSZWEQPLOF-CRAIPNDOSA-N 0 3 296.414 2.684 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001080570457 781668435 /nfs/dbraw/zinc/66/84/35/781668435.db2.gz UATXHHAJSOJSKK-NRSFXHEJSA-N 0 3 298.430 2.803 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001080719312 781676238 /nfs/dbraw/zinc/67/62/38/781676238.db2.gz ZETHTKWSDZDLHZ-CRAIPNDOSA-N 0 3 298.430 2.883 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001080844855 781682745 /nfs/dbraw/zinc/68/27/45/781682745.db2.gz UFYMKIKQLPYCFH-NVXWUHKLSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001081006543 781688220 /nfs/dbraw/zinc/68/82/20/781688220.db2.gz FFMGAGOSCVNZKA-HPDBWDTBSA-N 0 3 290.451 2.825 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001081018808 781696378 /nfs/dbraw/zinc/69/63/78/781696378.db2.gz OHYGOTGBWJTOCQ-BZUAXINKSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CCN1CC[C@@H]2CN(C(=O)c3cccs3)[C@@H]2C1 ZINC001084165952 781775805 /nfs/dbraw/zinc/77/58/05/781775805.db2.gz NQPYRSPCYDQMSD-ZIAGYGMSSA-N 0 3 290.432 2.861 20 30 CFEDHN C#CCCN1CC[C@@H]2CN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001084230433 781781076 /nfs/dbraw/zinc/78/10/76/781781076.db2.gz XNXPNQVKCQPJNH-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(CC[C@@H](C)F)C[C@H]21 ZINC001084574081 781802631 /nfs/dbraw/zinc/80/26/31/781802631.db2.gz PKXNHXBNYXKKEX-RBSFLKMASA-N 0 3 296.430 2.870 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084578301 781803592 /nfs/dbraw/zinc/80/35/92/781803592.db2.gz UJETUEAHZBSILN-IAGOWNOFSA-N 0 3 298.430 2.932 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230834953 781874870 /nfs/dbraw/zinc/87/48/70/781874870.db2.gz PVTCPTTUWFEDQJ-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCCC4)C[C@@H]21 ZINC001085026242 781884483 /nfs/dbraw/zinc/88/44/83/781884483.db2.gz FGTSENHERFWEJI-XLMAVXFVSA-N 0 3 288.435 2.676 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OC ZINC001098952938 781912658 /nfs/dbraw/zinc/91/26/58/781912658.db2.gz NQQJVJOLCMZMJY-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN CO[C@@H](C)[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594516129 349438284 /nfs/dbraw/zinc/43/82/84/349438284.db2.gz BDZHMBNFGCLJAA-STQMWFEESA-N 0 3 258.365 2.950 20 30 CFEDHN CC(C)(C)O[C@H]1C[C@H](NCc2cccc(C#N)c2)C1 ZINC000594516299 349438558 /nfs/dbraw/zinc/43/85/58/349438558.db2.gz CGUFERZCSMXMNC-SHTZXODSSA-N 0 3 258.365 2.994 20 30 CFEDHN C[C@@H]1OCC[C@@H]1NC1(c2ccc(C#N)cc2)CCC1 ZINC000594517249 349439356 /nfs/dbraw/zinc/43/93/56/349439356.db2.gz JKVZYHQYCLEXIY-WFASDCNBSA-N 0 3 256.349 2.704 20 30 CFEDHN CCC(C)(C)N1CCN(c2nc(C)ccc2C#N)CC1 ZINC000594592502 349453939 /nfs/dbraw/zinc/45/39/39/349453939.db2.gz YEPWMAKGKHMJHE-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594596520 349456483 /nfs/dbraw/zinc/45/64/83/349456483.db2.gz AJVOUWAMOGKPQM-HUUCEWRRSA-N 0 3 270.380 2.691 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594604367 349459862 /nfs/dbraw/zinc/45/98/62/349459862.db2.gz YRJZQAWGVRJAHT-UONOGXRCSA-N 0 3 274.343 2.521 20 30 CFEDHN COC(=O)c1cc(CN[C@H]2CC[C@@H](CC#N)C2)c(C)o1 ZINC000594609963 349462214 /nfs/dbraw/zinc/46/22/14/349462214.db2.gz PDLOIAPZBDGEBC-AAEUAGOBSA-N 0 3 276.336 2.547 20 30 CFEDHN CCCCN(CCOC)Cc1ccc(C#N)s1 ZINC000124419150 187136751 /nfs/dbraw/zinc/13/67/51/187136751.db2.gz YJQCNNDGOQBJAH-UHFFFAOYSA-N 0 3 252.383 2.868 20 30 CFEDHN C[C@H](O)CN(Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000594615096 349465067 /nfs/dbraw/zinc/46/50/67/349465067.db2.gz LZLPECVCNYEHHF-AWEZNQCLSA-N 0 3 288.391 2.714 20 30 CFEDHN CCC[C@H](N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657430 349470337 /nfs/dbraw/zinc/47/03/37/349470337.db2.gz BBNPGMJLDCEPHD-LBPRGKRZSA-N 0 3 261.373 2.552 20 30 CFEDHN N#CCC[C@H](C#N)CN1CCN(CC2CCCCC2)CC1 ZINC000067649653 346812179 /nfs/dbraw/zinc/81/21/79/346812179.db2.gz WDUXESIUDKHTLD-QGZVFWFLSA-N 0 3 288.439 2.628 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@@H](SC)C2)nn1 ZINC000594928104 349513005 /nfs/dbraw/zinc/51/30/05/349513005.db2.gz ZMPLKLKXPMAUAX-TZMCWYRMSA-N 0 3 280.441 2.618 20 30 CFEDHN COC[C@@H](C)Oc1ccc(CNCC2(CC#N)CC2)cc1 ZINC000594936430 349518381 /nfs/dbraw/zinc/51/83/81/349518381.db2.gz LHNTXIZHQZWEAJ-CQSZACIVSA-N 0 3 288.391 2.884 20 30 CFEDHN C[C@H]1C[C@H](CCNCc2ccc(C#N)cc2F)CCO1 ZINC000273046384 192029642 /nfs/dbraw/zinc/02/96/42/192029642.db2.gz JROIVTJWPMCAON-QWHCGFSZSA-N 0 3 276.355 2.992 20 30 CFEDHN CC[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CO1 ZINC000594954827 349527060 /nfs/dbraw/zinc/52/70/60/349527060.db2.gz KMCUZYJKUVZTOX-GJZGRUSLSA-N 0 3 256.349 2.704 20 30 CFEDHN C=CCCSCCNCc1c[nH]nc1-c1cccnc1 ZINC000594959754 349530657 /nfs/dbraw/zinc/53/06/57/349530657.db2.gz BWMAIRWIOYERPC-UHFFFAOYSA-N 0 3 288.420 2.871 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C1(CO)CC1 ZINC000594969915 349534711 /nfs/dbraw/zinc/53/47/11/349534711.db2.gz SUVZOMBSPJJTOX-SNVBAGLBSA-N 0 3 298.308 2.828 20 30 CFEDHN CSCC1(CCNCc2nc(C#N)cs2)CC1 ZINC000594976269 349537222 /nfs/dbraw/zinc/53/72/22/349537222.db2.gz XZGOKOZYODICKZ-UHFFFAOYSA-N 0 3 267.423 2.638 20 30 CFEDHN Cc1cc(CNC[C@H]2CCC[C@@H](C)O2)ccc1C#N ZINC000594985677 349538713 /nfs/dbraw/zinc/53/87/13/349538713.db2.gz MUQITRSYLPUNDX-CZUORRHYSA-N 0 3 258.365 2.914 20 30 CFEDHN CC1(C)[C@@H](CNCc2cccc(C#N)c2)C1(F)F ZINC000594991473 349541178 /nfs/dbraw/zinc/54/11/78/349541178.db2.gz IBMYEQLQFMWRLW-GFCCVEGCSA-N 0 3 250.292 2.939 20 30 CFEDHN CO[C@@]1(C)C[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC000594994011 349540961 /nfs/dbraw/zinc/54/09/61/349540961.db2.gz DBUGUGHGOUXFOW-ZBFHGGJFSA-N 0 3 258.365 2.755 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN2Cc2ccccc2)cc1 ZINC000594998874 349543013 /nfs/dbraw/zinc/54/30/13/349543013.db2.gz KHSJIBKDGPAUPA-IBGZPJMESA-N 0 3 291.398 2.922 20 30 CFEDHN C[C@@H](NCCc1ccc(C#N)cc1)c1ccccn1 ZINC000595055188 349566452 /nfs/dbraw/zinc/56/64/52/349566452.db2.gz AHOAIXAOYXQISJ-CYBMUJFWSA-N 0 3 251.333 2.847 20 30 CFEDHN C=CCCSCCN[C@H](CC)c1ccn(C)n1 ZINC000595059816 349570629 /nfs/dbraw/zinc/57/06/29/349570629.db2.gz PFWJGKGNPBPDSR-GFCCVEGCSA-N 0 3 253.415 2.770 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595061106 349571255 /nfs/dbraw/zinc/57/12/55/349571255.db2.gz PDUOSTISXZMPBZ-GXSJLCMTSA-N 0 3 284.285 2.667 20 30 CFEDHN C[C@@H](N[C@H](C)C1(CO)CC1)c1ccc(C#N)c(F)c1 ZINC000595069965 349573043 /nfs/dbraw/zinc/57/30/43/349573043.db2.gz UGEBQYSVKBEGMW-GHMZBOCLSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1cccc(C#N)c1 ZINC000595091038 349578289 /nfs/dbraw/zinc/57/82/89/349578289.db2.gz RESNAGWZYKLQNS-CQDKDKBSSA-N 0 3 256.349 2.512 20 30 CFEDHN C=CCCSCCNC(=O)Nc1ccc2c(c1)CNC2 ZINC000595236839 349586643 /nfs/dbraw/zinc/58/66/43/349586643.db2.gz PNXOVPVFSJJXNR-UHFFFAOYSA-N 0 3 291.420 2.721 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000595250174 349586917 /nfs/dbraw/zinc/58/69/17/349586917.db2.gz LXBRBKXNJJEJLP-KFWWJZLASA-N 0 3 277.412 2.649 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000595257395 349587975 /nfs/dbraw/zinc/58/79/75/349587975.db2.gz JSWAFNBIJLVVGD-MRXNPFEDSA-N 0 3 283.375 2.996 20 30 CFEDHN C[C@H]1CC(CNC(=O)[C@@H](N)CCCCC#N)C[C@H](C)C1 ZINC000595257064 349588105 /nfs/dbraw/zinc/58/81/05/349588105.db2.gz PHDIOAJZGVCHQY-NFAWXSAZSA-N 0 3 279.428 2.586 20 30 CFEDHN CCCCC[C@H]1CCCCN1C(=O)[C@H](N)CCCC#N ZINC000595258286 349588325 /nfs/dbraw/zinc/58/83/25/349588325.db2.gz BHIGSUIDJFYCBQ-LSDHHAIUSA-N 0 3 279.428 2.969 20 30 CFEDHN Cc1sc(NC(=O)[C@H](N)CCCCC#N)nc1C(C)C ZINC000595257091 349588526 /nfs/dbraw/zinc/58/85/26/349588526.db2.gz PYRFZDQZMDCNSW-LLVKDONJSA-N 0 3 294.424 2.925 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000595258611 349588989 /nfs/dbraw/zinc/58/89/89/349588989.db2.gz DMRJCGMSGVTXOV-CVEARBPZSA-N 0 3 291.439 2.969 20 30 CFEDHN Cc1cccc2c1CCC[C@H]2NC(=O)[C@H](N)CCCCC#N ZINC000595260031 349589117 /nfs/dbraw/zinc/58/91/17/349589117.db2.gz SMQFOJYWHBNOLA-IAGOWNOFSA-N 0 3 299.418 2.900 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCCC[C@H]1CC1CCC1 ZINC000595258612 349589445 /nfs/dbraw/zinc/58/94/45/349589445.db2.gz DMRJCGMSGVTXOV-HOTGVXAUSA-N 0 3 291.439 2.969 20 30 CFEDHN CN(CCN1CCCC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595311536 349598724 /nfs/dbraw/zinc/59/87/24/349598724.db2.gz CWWFAKCDYZFNTD-OAHLLOKOSA-N 0 3 277.799 2.932 20 30 CFEDHN N#Cc1ccccc1N1CCN(CC2CC=CC2)CC1 ZINC000595302917 349597265 /nfs/dbraw/zinc/59/72/65/349597265.db2.gz XAVAOFUQYOXYEZ-UHFFFAOYSA-N 0 3 267.376 2.646 20 30 CFEDHN Cc1nnc([C@@H]2CCCN(CCc3ccc(C#N)cc3)C2)o1 ZINC000595307647 349598018 /nfs/dbraw/zinc/59/80/18/349598018.db2.gz XKQMQJHBBDDRAY-MRXNPFEDSA-N 0 3 296.374 2.672 20 30 CFEDHN COc1ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1C#N ZINC000273098872 192042385 /nfs/dbraw/zinc/04/23/85/192042385.db2.gz VHIKLCGDXQTZFE-IAGOWNOFSA-N 0 3 286.375 2.614 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1cccc(C#N)c1 ZINC000595414302 349618814 /nfs/dbraw/zinc/61/88/14/349618814.db2.gz GXVSCPCICGUZCN-OSMBCOQSSA-N 0 3 297.402 2.656 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000273116950 192048469 /nfs/dbraw/zinc/04/84/69/192048469.db2.gz YPOYXVMYDVZPPS-IRXDYDNUSA-N 0 3 286.375 2.614 20 30 CFEDHN CC[C@H](C)N1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595520563 349649163 /nfs/dbraw/zinc/64/91/63/349649163.db2.gz MQHWVPUFLJUYNW-HNNXBMFYSA-N 0 3 271.408 2.517 20 30 CFEDHN C[C@H]1CN([C@H](C#N)c2ccccc2)CCN(C2CC2)C1 ZINC000595506686 349645879 /nfs/dbraw/zinc/64/58/79/349645879.db2.gz GGEUUMXCOQNQBW-RHSMWYFYSA-N 0 3 269.392 2.667 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000595614899 349677812 /nfs/dbraw/zinc/67/78/12/349677812.db2.gz JHLZOAVFWUSCHN-AWEZNQCLSA-N 0 3 296.374 2.513 20 30 CFEDHN CN(CCN1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595618159 349678290 /nfs/dbraw/zinc/67/82/90/349678290.db2.gz XWDOCXHVLLKCQM-OAHLLOKOSA-N 0 3 257.381 2.748 20 30 CFEDHN CCN(CCCN1CCC[C@H](CC#N)C1)CC(F)(F)F ZINC000595619516 349678540 /nfs/dbraw/zinc/67/85/40/349678540.db2.gz CELYQONDUHZBGE-CYBMUJFWSA-N 0 3 291.361 2.886 20 30 CFEDHN N#Cc1sccc1N1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595634510 349684811 /nfs/dbraw/zinc/68/48/11/349684811.db2.gz BEJUMWGHWJXKGZ-BTTYYORXSA-N 0 3 287.432 2.788 20 30 CFEDHN C=CCN(CCc1ccc(C#N)cc1)[C@H](C)COC ZINC000595638679 349685549 /nfs/dbraw/zinc/68/55/49/349685549.db2.gz KUZKKOXHXCKTKW-CQSZACIVSA-N 0 3 258.365 2.624 20 30 CFEDHN N#CC[C@H]1CCCN(C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000595623339 349680650 /nfs/dbraw/zinc/68/06/50/349680650.db2.gz NLDLVFPLLUGTOT-AEFFLSMTSA-N 0 3 299.418 2.517 20 30 CFEDHN COC[C@@H](NCCCSCC#N)c1cccc(OC)c1 ZINC000595683759 349699566 /nfs/dbraw/zinc/69/95/66/349699566.db2.gz JZRPFVFREUHKJJ-OAHLLOKOSA-N 0 3 294.420 2.619 20 30 CFEDHN CC[C@@H](Cn1cncn1)N[C@@H](CCC#N)c1ccccc1 ZINC000353249544 529549666 /nfs/dbraw/zinc/54/96/66/529549666.db2.gz DNDGIBWTLRPHJZ-HOTGVXAUSA-N 0 3 283.379 2.691 20 30 CFEDHN CCC1(CC)CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000595751984 349722623 /nfs/dbraw/zinc/72/26/23/349722623.db2.gz HMGAIXNXIZNHEN-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)[C@H]1CCO ZINC000595706129 349711446 /nfs/dbraw/zinc/71/14/46/349711446.db2.gz XVSKLVSCKUXTOJ-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1CCO ZINC000595706927 349712485 /nfs/dbraw/zinc/71/24/85/349712485.db2.gz YVGAHHSFWCXQNI-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN CC[C@H](NCc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000595764839 349727297 /nfs/dbraw/zinc/72/72/97/349727297.db2.gz DUWOOZHONPRFFE-HNNXBMFYSA-N 0 3 272.348 2.623 20 30 CFEDHN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000595766075 349727532 /nfs/dbraw/zinc/72/75/32/349727532.db2.gz RKJSGDPVGDZDMX-ZDUSSCGKSA-N 0 3 291.782 2.928 20 30 CFEDHN C=CCC1(NCC(=O)Nc2ccc(C#N)cc2)CCCC1 ZINC000595780612 349731807 /nfs/dbraw/zinc/73/18/07/349731807.db2.gz VXIGRWYDTLFCNR-UHFFFAOYSA-N 0 3 283.375 2.975 20 30 CFEDHN C[C@H](CCC#N)N1CCC([C@@H]2CCCCO2)CC1 ZINC000595782895 349732619 /nfs/dbraw/zinc/73/26/19/349732619.db2.gz JNLGYGXGHCXDTF-HIFRSBDPSA-N 0 3 250.386 2.960 20 30 CFEDHN C[C@@H](CCC#N)N1CCC([C@H]2CCCCO2)CC1 ZINC000595782894 349732710 /nfs/dbraw/zinc/73/27/10/349732710.db2.gz JNLGYGXGHCXDTF-DZGCQCFKSA-N 0 3 250.386 2.960 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000595785028 349732942 /nfs/dbraw/zinc/73/29/42/349732942.db2.gz VTYHRNGNPFKYGP-CVEARBPZSA-N 0 3 284.403 2.881 20 30 CFEDHN CN(CCOc1ccccc1C#N)CC1=CCSC1 ZINC000595887956 349762143 /nfs/dbraw/zinc/76/21/43/349762143.db2.gz JGVJKSLLNLZODH-UHFFFAOYSA-N 0 3 274.389 2.542 20 30 CFEDHN N#Cc1cccc(OCCN2CCC(c3ccon3)CC2)c1 ZINC000595839481 349750852 /nfs/dbraw/zinc/75/08/52/349750852.db2.gz YZCTZNWIBRILQU-UHFFFAOYSA-N 0 3 297.358 2.805 20 30 CFEDHN CC(C)NC(=O)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000595851841 349754802 /nfs/dbraw/zinc/75/48/02/349754802.db2.gz VKUHCTDIRSTNQI-WMLDXEAASA-N 0 3 299.418 2.856 20 30 CFEDHN Cc1cc(CN2CCC[C@H](C(=O)NC(C)C)C2)ccc1C#N ZINC000595848265 349754944 /nfs/dbraw/zinc/75/49/44/349754944.db2.gz CVMGYECNJCWLPS-KRWDZBQOSA-N 0 3 299.418 2.603 20 30 CFEDHN CC1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(C#N)cc1 ZINC000595858531 349755992 /nfs/dbraw/zinc/75/59/92/349755992.db2.gz WYFSSLZBIKXECL-SFESLNEESA-N 0 3 283.375 2.760 20 30 CFEDHN CCCCC[C@@H]1CCCCN1CC(=O)NC1(C#N)CCC1 ZINC000595870307 349758311 /nfs/dbraw/zinc/75/83/11/349758311.db2.gz HGPQUHUVIYQKLJ-OAHLLOKOSA-N 0 3 291.439 2.984 20 30 CFEDHN CCN(Cc1ccc(C)cc1)C(=O)[C@@H](N)CCCCC#N ZINC000595966449 349772903 /nfs/dbraw/zinc/77/29/03/349772903.db2.gz GJJJKXBFMOLEAB-INIZCTEOSA-N 0 3 287.407 2.755 20 30 CFEDHN C[C@@]1(F)CNCCN(c2cccc(C(F)F)c2C#N)C1 ZINC000596014908 349776382 /nfs/dbraw/zinc/77/63/82/349776382.db2.gz WLDHVOFXDJJHPM-CQSZACIVSA-N 0 3 283.297 2.634 20 30 CFEDHN C[C@H](CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000596048305 349780689 /nfs/dbraw/zinc/78/06/89/349780689.db2.gz UDMWAHJSNMBWLW-DYVFJYSZSA-N 0 3 299.418 2.891 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596118391 349798520 /nfs/dbraw/zinc/79/85/20/349798520.db2.gz YAXDDQPLDHRMMZ-KOLCDFICSA-N 0 3 269.270 2.882 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@@H]1CCCN(c2ccccc2)C1 ZINC000573397955 334935191 /nfs/dbraw/zinc/93/51/91/334935191.db2.gz OSFDGOAMFJMFBE-SJORKVTESA-N 0 3 296.418 2.936 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCCN(c2ccccc2)C1 ZINC000573397953 334935245 /nfs/dbraw/zinc/93/52/45/334935245.db2.gz OSFDGOAMFJMFBE-IRXDYDNUSA-N 0 3 296.418 2.936 20 30 CFEDHN CCN1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)C[C@@H]1C ZINC000596136378 349803979 /nfs/dbraw/zinc/80/39/79/349803979.db2.gz TZCKCGRSAHXFJM-UWVGGRQHSA-N 0 3 298.843 2.977 20 30 CFEDHN CC[C@H]1C[C@@H](C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000072697829 346936783 /nfs/dbraw/zinc/93/67/83/346936783.db2.gz VUERWEIETCEUFV-DOMZBBRYSA-N 0 3 271.364 2.617 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000294999628 199293235 /nfs/dbraw/zinc/29/32/35/199293235.db2.gz LYDKNVXEHNMQGO-ZDUSSCGKSA-N 0 3 291.464 2.628 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596160215 349812904 /nfs/dbraw/zinc/81/29/04/349812904.db2.gz BDIIMIDZUXXGPP-OIBJUYFYSA-N 0 3 282.800 2.563 20 30 CFEDHN Cc1nccnc1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000295021909 199303727 /nfs/dbraw/zinc/30/37/27/199303727.db2.gz NUTMJWBRDLUTAL-NSHDSACASA-N 0 3 284.338 2.689 20 30 CFEDHN CN(C)CCN(c1nc(C#N)c(Cl)s1)C1CCCC1 ZINC000596225885 349833056 /nfs/dbraw/zinc/83/30/56/349833056.db2.gz GMPRLPWGBJJVPB-UHFFFAOYSA-N 0 3 298.843 2.979 20 30 CFEDHN CC(C)N1CCCC[C@H]1COc1cccnc1C#N ZINC000596280389 349851509 /nfs/dbraw/zinc/85/15/09/349851509.db2.gz ZXTRPDYXFBJMBM-ZDUSSCGKSA-N 0 3 259.353 2.595 20 30 CFEDHN Cn1cc(CNC[C@@H]2CCCCC2(F)F)cc1C#N ZINC000295075700 199331822 /nfs/dbraw/zinc/33/18/22/199331822.db2.gz HTLKZIPFBBTVHC-LBPRGKRZSA-N 0 3 267.323 2.812 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000596306851 349858518 /nfs/dbraw/zinc/85/85/18/349858518.db2.gz ISRONDTVGIFQPN-CYBMUJFWSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1CCCC1 ZINC000068449051 260207640 /nfs/dbraw/zinc/20/76/40/260207640.db2.gz UGBVFIQSTHJGHJ-INIZCTEOSA-N 0 3 279.428 2.694 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000075267672 347062668 /nfs/dbraw/zinc/06/26/68/347062668.db2.gz YJYYSOUULZRWAS-XJKSGUPXSA-N 0 3 285.391 2.610 20 30 CFEDHN Cc1ccnc(N[C@H](C)CN2CCC(C)CC2)c1C#N ZINC000596487653 349917178 /nfs/dbraw/zinc/91/71/78/349917178.db2.gz JDFYAXSOCNSIKO-CQSZACIVSA-N 0 3 272.396 2.794 20 30 CFEDHN CCN(CC)CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000075535962 347083445 /nfs/dbraw/zinc/08/34/45/347083445.db2.gz QOFKRJBNONDUHB-DLBZAZTESA-N 0 3 299.418 2.627 20 30 CFEDHN CCCCN(CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000046092904 346420454 /nfs/dbraw/zinc/42/04/54/346420454.db2.gz DVGAJZWEIKTTDT-UHFFFAOYSA-N 0 3 277.412 2.594 20 30 CFEDHN C=CCN(CCC(=O)NC(C)C)Cc1ccccc1 ZINC000046517035 346429045 /nfs/dbraw/zinc/42/90/45/346429045.db2.gz QOTODCFAZVBHJC-UHFFFAOYSA-N 0 3 260.381 2.589 20 30 CFEDHN O=C(NCCN1CCCCCC1)c1cccc2c[nH]nc21 ZINC000328833067 539541685 /nfs/dbraw/zinc/54/16/85/539541685.db2.gz LOMSILXIHOXIII-UHFFFAOYSA-N 0 3 286.379 2.744 20 30 CFEDHN CCN(CC)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000075682531 347092843 /nfs/dbraw/zinc/09/28/43/347092843.db2.gz YWZAAOMFXRJMKN-UHFFFAOYSA-N 0 3 287.407 2.637 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CC)C1 ZINC000048058449 346465705 /nfs/dbraw/zinc/46/57/05/346465705.db2.gz HJBLCHWLMAYQSR-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cnn(C(C)(C)C)c2)nc(C)n1 ZINC000049408081 346483197 /nfs/dbraw/zinc/48/31/97/346483197.db2.gz BJVCWXDEIOUYNY-CYBMUJFWSA-N 0 3 297.362 2.535 20 30 CFEDHN CN(CCCC#N)CCOc1ccc(Cl)cc1 ZINC000052659130 346526575 /nfs/dbraw/zinc/52/65/75/346526575.db2.gz ADIDHURGQWCJSW-UHFFFAOYSA-N 0 3 252.745 2.954 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(CC#N)c1 ZINC000055407894 346588639 /nfs/dbraw/zinc/58/86/39/346588639.db2.gz MQLYQSUWVVMHDO-HUUCEWRRSA-N 0 3 299.418 2.603 20 30 CFEDHN N#CCCCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000060366487 346663750 /nfs/dbraw/zinc/66/37/50/346663750.db2.gz MZURSKFBSFVZBE-OAHLLOKOSA-N 0 3 262.353 2.954 20 30 CFEDHN CC(C)[C@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000063618558 346705792 /nfs/dbraw/zinc/70/57/92/346705792.db2.gz DEEGHBZLGHDFFT-OAHLLOKOSA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@H]1C[C@H](C)CN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000066406410 346758933 /nfs/dbraw/zinc/75/89/33/346758933.db2.gz ZFNLWPYFVNOKBN-GJZGRUSLSA-N 0 3 291.439 2.649 20 30 CFEDHN C[C@H](COCC(F)(F)F)NCc1cccc(C#N)c1 ZINC000067503870 346806145 /nfs/dbraw/zinc/80/61/45/346806145.db2.gz TWQXXBJSRKFGFP-SNVBAGLBSA-N 0 3 272.270 2.615 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000076738154 347151122 /nfs/dbraw/zinc/15/11/22/347151122.db2.gz CEAPWTUCAHLSNI-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@H]1CCCCN1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000077656665 347207039 /nfs/dbraw/zinc/20/70/39/347207039.db2.gz GTNOHILCYCWZRS-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)CCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000077211753 347174684 /nfs/dbraw/zinc/17/46/84/347174684.db2.gz OAYGWCMTRYQRJR-MRXNPFEDSA-N 0 3 285.391 2.641 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncccc2C#N)C1 ZINC000078507206 347258798 /nfs/dbraw/zinc/25/87/98/347258798.db2.gz WFBKWPXSZDUURB-KRWDZBQOSA-N 0 3 292.386 2.664 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)CC(=O)OC)c([O-])c1 ZINC000078565926 347261640 /nfs/dbraw/zinc/26/16/40/347261640.db2.gz FNIUSDMVBFZQMB-OOIIIRTPSA-N 0 3 292.379 2.609 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000080079850 347342565 /nfs/dbraw/zinc/34/25/65/347342565.db2.gz CAYHNXRJYOCIRQ-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN CCOc1cc(/C=C2/C(=O)c3ncnn3C2C)ccc1OC ZINC000823364535 781927059 /nfs/dbraw/zinc/92/70/59/781927059.db2.gz JLGBWZHYQFTKLY-CEXMDJMXSA-N 0 3 299.330 2.526 20 30 CFEDHN CC1CCC(N2CCN(CCCSCC#N)CC2)CC1 ZINC000080628872 347371048 /nfs/dbraw/zinc/37/10/48/347371048.db2.gz FZRKSNHPSUVJDA-UHFFFAOYSA-N 0 3 295.496 2.830 20 30 CFEDHN CN(C)CCN(C)c1ccc(C#N)cc1C(F)(F)F ZINC000080684939 347374964 /nfs/dbraw/zinc/37/49/64/347374964.db2.gz RZQFZUYYXVZWFJ-UHFFFAOYSA-N 0 3 271.286 2.575 20 30 CFEDHN C=CCC[C@@H](O)CN(C)Cc1cccc(N(C)C)c1 ZINC000089923292 347531524 /nfs/dbraw/zinc/53/15/24/347531524.db2.gz ZNAIZFFLEBYMTN-MRXNPFEDSA-N 0 3 262.397 2.512 20 30 CFEDHN COc1ccc([C@H](C)NCc2ccnc(C#N)c2)cc1 ZINC000090340146 347547190 /nfs/dbraw/zinc/54/71/90/347547190.db2.gz VCOZNMRWWOWJSA-LBPRGKRZSA-N 0 3 267.332 2.813 20 30 CFEDHN CCCN1CCC(N(C)c2snc(Cl)c2C#N)CC1 ZINC000092629851 347635917 /nfs/dbraw/zinc/63/59/17/347635917.db2.gz YKDKWMZBPOBBFO-UHFFFAOYSA-N 0 3 298.843 2.979 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073685 347609377 /nfs/dbraw/zinc/60/93/77/347609377.db2.gz SXEPETUMHULLQO-LBPRGKRZSA-N 0 3 272.377 2.722 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@](C)(C(=O)OC)C2)cc1 ZINC000093813434 347684339 /nfs/dbraw/zinc/68/43/39/347684339.db2.gz JTWRFZUWYZMMSQ-KRWDZBQOSA-N 0 3 289.375 2.636 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)C(C)(C)C)CC1 ZINC000112453769 347761801 /nfs/dbraw/zinc/76/18/01/347761801.db2.gz XCDYSUKFTCHYLL-CYBMUJFWSA-N 0 3 281.444 2.761 20 30 CFEDHN COC(=O)CCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000124926748 347826346 /nfs/dbraw/zinc/82/63/46/347826346.db2.gz YZXSEPIDYBRXMD-UHFFFAOYSA-N 0 3 292.404 2.785 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)[C@H](C)CC#N)c1ccccc1 ZINC000596712364 349977109 /nfs/dbraw/zinc/97/71/09/349977109.db2.gz ZUXMHCUGLIXPLL-GDBMZVCRSA-N 0 3 287.407 2.735 20 30 CFEDHN C=CCCN(CCOC)CCOc1ccc(F)cc1 ZINC000133028029 347889484 /nfs/dbraw/zinc/88/94/84/347889484.db2.gz PUTMXAQOWUQIIR-UHFFFAOYSA-N 0 3 267.344 2.729 20 30 CFEDHN CC(C)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000144470371 347940731 /nfs/dbraw/zinc/94/07/31/347940731.db2.gz GZBQWMWZEZTKSS-UHFFFAOYSA-N 0 3 280.375 2.637 20 30 CFEDHN C=C(C)CN1CCc2cc(OC)c(OC)cc2CC1 ZINC000138779634 347917266 /nfs/dbraw/zinc/91/72/66/347917266.db2.gz IYYCVNGOQDNHCE-UHFFFAOYSA-N 0 3 261.365 2.681 20 30 CFEDHN CN(CCCCC#N)Cc1cc(Br)cn1C ZINC000151438039 347962456 /nfs/dbraw/zinc/96/24/56/347962456.db2.gz GGQBELDAGAAOEY-UHFFFAOYSA-N 0 3 284.201 2.913 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)C[C@H]1CCCCO1 ZINC000165453144 348039197 /nfs/dbraw/zinc/03/91/97/348039197.db2.gz GOWGDNVULZSRAX-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CC#CCCCC(=O)NCc1cccc(CN(C)C)c1 ZINC000185105427 348128410 /nfs/dbraw/zinc/12/84/10/348128410.db2.gz YDZSQJGSGFRLHM-UHFFFAOYSA-N 0 3 272.392 2.558 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1C#N ZINC000273340527 192118774 /nfs/dbraw/zinc/11/87/74/192118774.db2.gz NQDAVLHMBDPBEG-KOLCDFICSA-N 0 3 290.798 2.952 20 30 CFEDHN C[C@@H]1SCCN(Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000265544466 348321126 /nfs/dbraw/zinc/32/11/26/348321126.db2.gz RUJQEKQWCJBOIK-STQMWFEESA-N 0 3 276.405 2.915 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C#N)c(F)c1 ZINC000271992376 348332318 /nfs/dbraw/zinc/33/23/18/348332318.db2.gz ZVCYSZYXTYATBH-FFFUXKDYSA-N 0 3 260.312 2.668 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)C[C@H](O)C1CC1 ZINC000305119661 348380867 /nfs/dbraw/zinc/38/08/67/348380867.db2.gz GPHWITUKBDWXOE-INIZCTEOSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CC[C@H](CO)NCc1csc(Br)c1 ZINC000273353383 192123028 /nfs/dbraw/zinc/12/30/28/192123028.db2.gz BNFPUQORPNJYJL-SECBINFHSA-N 0 3 276.199 2.537 20 30 CFEDHN N#Cc1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccn1 ZINC000319290603 348434239 /nfs/dbraw/zinc/43/42/39/348434239.db2.gz NLRFUHILVQSATA-KSZLIROESA-N 0 3 299.418 2.859 20 30 CFEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000314639202 348427077 /nfs/dbraw/zinc/42/70/77/348427077.db2.gz ZUIZTROLVRZGGN-YOEHRIQHSA-N 0 3 296.370 2.649 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)[C@H](C)CC#N)c1ccsc1 ZINC000596793374 349990490 /nfs/dbraw/zinc/99/04/90/349990490.db2.gz HIMLNINHDCGAKQ-OCCSQVGLSA-N 0 3 293.436 2.797 20 30 CFEDHN C=CCN(CC=C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000341552250 348456995 /nfs/dbraw/zinc/45/69/95/348456995.db2.gz DTVMVIBCPQRGTM-GASCZTMLSA-N 0 3 279.428 2.633 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000357824785 348505140 /nfs/dbraw/zinc/50/51/40/348505140.db2.gz KKGRJNOGJHNKMT-CYBMUJFWSA-N 0 3 256.349 2.774 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379711817 348521864 /nfs/dbraw/zinc/52/18/64/348521864.db2.gz GXYLOIYBECAXHZ-DJIMGWMZSA-N 0 3 299.418 2.705 20 30 CFEDHN Cc1cnc(CCN2CCC(CC#N)CC2)c(C)c1 ZINC000401086621 348577134 /nfs/dbraw/zinc/57/71/34/348577134.db2.gz ROAYEANKYFUAHR-UHFFFAOYSA-N 0 3 257.381 2.867 20 30 CFEDHN CC(C)O[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000404716800 348594011 /nfs/dbraw/zinc/59/40/11/348594011.db2.gz UAADYAFMHWRAID-MRXNPFEDSA-N 0 3 258.365 2.948 20 30 CFEDHN CC(C)O[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000404716799 348594326 /nfs/dbraw/zinc/59/43/26/348594326.db2.gz UAADYAFMHWRAID-INIZCTEOSA-N 0 3 258.365 2.948 20 30 CFEDHN COc1ccc(OCCN2CCC[C@H](CC#N)C2)cc1 ZINC000397709426 348563646 /nfs/dbraw/zinc/56/36/46/348563646.db2.gz URVNAJPKZOEVJU-CQSZACIVSA-N 0 3 274.364 2.700 20 30 CFEDHN C[C@](CO)(NCc1ccc(CC#N)cc1)c1ccccc1 ZINC000399178037 348568861 /nfs/dbraw/zinc/56/88/61/348568861.db2.gz KNNDDRTUCFHSOT-GOSISDBHSA-N 0 3 280.371 2.750 20 30 CFEDHN COCCOc1ccccc1CNCC(C)(C)CC#N ZINC000459734547 348625240 /nfs/dbraw/zinc/62/52/40/348625240.db2.gz RTKKQLNXTDGJSJ-UHFFFAOYSA-N 0 3 276.380 2.741 20 30 CFEDHN CN(Cc1ccc(C#N)cn1)C1Cc2ccccc2C1 ZINC000585717567 348739552 /nfs/dbraw/zinc/73/95/52/348739552.db2.gz LCFVGTWRPPYPFW-UHFFFAOYSA-N 0 3 263.344 2.552 20 30 CFEDHN N#CCCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000588147461 348773365 /nfs/dbraw/zinc/77/33/65/348773365.db2.gz NTIXTWZZUNZGCF-KRWDZBQOSA-N 0 3 299.418 2.851 20 30 CFEDHN CN(CCNC(=O)CCCCCC#N)Cc1ccccc1 ZINC000588153400 348773591 /nfs/dbraw/zinc/77/35/91/348773591.db2.gz LQWVREUJDGAOKD-UHFFFAOYSA-N 0 3 287.407 2.709 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(C#N)cc2C)C1 ZINC000588985742 348807356 /nfs/dbraw/zinc/80/73/56/348807356.db2.gz ZHNOYQVLHDDBKI-KRWDZBQOSA-N 0 3 272.392 2.851 20 30 CFEDHN COC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)cn1C ZINC000589170326 348815545 /nfs/dbraw/zinc/81/55/45/348815545.db2.gz RGINYVJOCULISA-GFCCVEGCSA-N 0 3 297.358 2.534 20 30 CFEDHN CC1(C2CC2)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000589286151 348823892 /nfs/dbraw/zinc/82/38/92/348823892.db2.gz CKGSBCSTDBFMKU-UHFFFAOYSA-N 0 3 255.365 2.965 20 30 CFEDHN N#Cc1ccncc1N1CCN(CCC2CCCC2)CC1 ZINC000590012072 348870048 /nfs/dbraw/zinc/87/00/48/348870048.db2.gz IBYMNHNKFQAAPX-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)C[C@H](O)Cc1ccccc1 ZINC000590120676 348875354 /nfs/dbraw/zinc/87/53/54/348875354.db2.gz OSCCCDSDYJXUIT-LJQANCHMSA-N 0 3 294.398 2.902 20 30 CFEDHN C[C@@H](NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000590169937 348882216 /nfs/dbraw/zinc/88/22/16/348882216.db2.gz JNGXYFWMVFRTHF-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCc3cc(C#N)ccc32)[C@H](C)O1 ZINC000590746509 348941341 /nfs/dbraw/zinc/94/13/41/348941341.db2.gz GDRXHADJBUALBR-OVTCNUJSSA-N 0 3 256.349 2.701 20 30 CFEDHN COC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000590751510 348942062 /nfs/dbraw/zinc/94/20/62/348942062.db2.gz DKBUTOOWNJWRDE-GLQYFDAESA-N 0 3 272.348 2.551 20 30 CFEDHN C[C@]12CN(Cc3ccnc(C#N)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000590765136 348944705 /nfs/dbraw/zinc/94/47/05/348944705.db2.gz SBYAKSAIJLWCOE-YALNPMBYSA-N 0 3 267.376 2.821 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1C ZINC000590764490 348944732 /nfs/dbraw/zinc/94/47/32/348944732.db2.gz RVHHMYRCDPGKLT-HZPDHXFCSA-N 0 3 258.365 2.914 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000677479511 539690767 /nfs/dbraw/zinc/69/07/67/539690767.db2.gz NSZGCLPZLFEZSG-OAHLLOKOSA-N 0 3 290.451 2.949 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@H](C2CC2)C1 ZINC000590594432 348912429 /nfs/dbraw/zinc/91/24/29/348912429.db2.gz DQOXNFFLSOHVTF-CJNGLKHVSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)[C@H](C)O1 ZINC000590653561 348922138 /nfs/dbraw/zinc/92/21/38/348922138.db2.gz NMPYRHNADCYKPB-BFVZDQMLSA-N 0 3 264.756 2.867 20 30 CFEDHN N#Cc1ccc(CNC2CCC(OC(F)F)CC2)o1 ZINC000590662505 348924875 /nfs/dbraw/zinc/92/48/75/348924875.db2.gz YPGFFARIPBAUQM-UHFFFAOYSA-N 0 3 270.279 2.791 20 30 CFEDHN N#CCCNC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000591728280 349040626 /nfs/dbraw/zinc/04/06/26/349040626.db2.gz HHKQVJLNJBCYBM-GFCCVEGCSA-N 0 3 263.772 2.670 20 30 CFEDHN C[C@H](C(=O)N1CCc2cc(C#N)ccc21)N1CCCCCC1 ZINC000591312327 349007993 /nfs/dbraw/zinc/00/79/93/349007993.db2.gz FCCHGEVCVUTGFR-CQSZACIVSA-N 0 3 297.402 2.712 20 30 CFEDHN C[C@H](N[C@@H]1COC(C)(C)C1)c1ccc(C#N)cc1F ZINC000591356390 349011533 /nfs/dbraw/zinc/01/15/33/349011533.db2.gz PFICEJAVHKPQBN-JQWIXIFHSA-N 0 3 262.328 2.915 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2N(C)C[C@H]1CCCN1C ZINC000591464221 349025387 /nfs/dbraw/zinc/02/53/87/349025387.db2.gz PXWQTSFFEBNAJN-OAHLLOKOSA-N 0 3 294.402 2.945 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@H](O)CC12CCC2 ZINC000591480128 349026358 /nfs/dbraw/zinc/02/63/58/349026358.db2.gz RSPAQFIHYLLAIE-INIZCTEOSA-N 0 3 270.376 2.746 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](C3CCCC3)C2)ccn1 ZINC000591476910 349026935 /nfs/dbraw/zinc/02/69/35/349026935.db2.gz VHTRDURAMIWYHQ-HNNXBMFYSA-N 0 3 255.365 2.965 20 30 CFEDHN CN(C(=O)[C@H](N)CCCC#N)c1cccc2ccccc21 ZINC000591601751 349033588 /nfs/dbraw/zinc/03/35/88/349033588.db2.gz DREOSJPPIBIDHD-OAHLLOKOSA-N 0 3 281.359 2.824 20 30 CFEDHN CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000591614074 349034933 /nfs/dbraw/zinc/03/49/33/349034933.db2.gz GHJYUMAOUJJTRW-HOTGVXAUSA-N 0 3 285.391 2.544 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NC1CC=CC1)C(C)C ZINC000127160123 539713788 /nfs/dbraw/zinc/71/37/88/539713788.db2.gz VOAHUWNPERGZBR-INIZCTEOSA-N 0 3 291.439 2.703 20 30 CFEDHN CCCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCN(C)C1 ZINC000592212861 349101922 /nfs/dbraw/zinc/10/19/22/349101922.db2.gz NYWJUADAIKODQZ-HNNXBMFYSA-N 0 3 286.379 2.506 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2cc(C#N)cs2)[C@@H]1SC ZINC000592375808 349111980 /nfs/dbraw/zinc/11/19/80/349111980.db2.gz LAFODJQRSLXMDY-UPJWGTAASA-N 0 3 282.434 2.618 20 30 CFEDHN N#CC[C@@]1(O)CCN(CCCCCOc2ccccc2)C1 ZINC000592521684 349132399 /nfs/dbraw/zinc/13/23/99/349132399.db2.gz AMXJNELBRHOEGP-QGZVFWFLSA-N 0 3 288.391 2.586 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2cccc(-c3ccccn3)c2)C1 ZINC000592522991 349132845 /nfs/dbraw/zinc/13/28/45/349132845.db2.gz VCVHDGNBDSSMQD-SFHVURJKSA-N 0 3 293.370 2.599 20 30 CFEDHN COc1ccc(CN2CC[C@@](O)(CC#N)C2)c2ccccc12 ZINC000592523704 349133770 /nfs/dbraw/zinc/13/37/70/349133770.db2.gz RFXFBBOBFOGYHK-SFHVURJKSA-N 0 3 296.370 2.699 20 30 CFEDHN Cc1ccccc1C1(NCCOCCC#N)CCC1 ZINC000593038305 349191462 /nfs/dbraw/zinc/19/14/62/349191462.db2.gz CAMWHDQYSAQAKY-UHFFFAOYSA-N 0 3 258.365 2.894 20 30 CFEDHN Cc1ccccc1C1(NCCC(=O)N(C)CCC#N)CCC1 ZINC000593038300 349191511 /nfs/dbraw/zinc/19/15/11/349191511.db2.gz BXBATQNOWXDQDO-UHFFFAOYSA-N 0 3 299.418 2.726 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@]3(CC3(F)F)C2)c1 ZINC000593115409 349212403 /nfs/dbraw/zinc/21/24/03/349212403.db2.gz JCOPJFWENCMGND-AWEZNQCLSA-N 0 3 278.302 2.668 20 30 CFEDHN C[C@H]1CN(CCOCCC#N)CCc2ccc(F)cc21 ZINC000593119225 349214110 /nfs/dbraw/zinc/21/41/10/349214110.db2.gz YUXNIYUXJGVMEW-ZDUSSCGKSA-N 0 3 276.355 2.718 20 30 CFEDHN CC[C@H](NCCC(=O)N(C)CCC#N)c1ccccc1F ZINC000593061193 349198591 /nfs/dbraw/zinc/19/85/91/349198591.db2.gz PMJWENVHQMZIEA-HNNXBMFYSA-N 0 3 291.370 2.629 20 30 CFEDHN Cc1ccc(CNC2CCN(CC#N)CC2)c(Cl)c1 ZINC000593594794 349295719 /nfs/dbraw/zinc/29/57/19/349295719.db2.gz DPYNGMSWDMDQPK-UHFFFAOYSA-N 0 3 277.799 2.726 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000593418788 349265704 /nfs/dbraw/zinc/26/57/04/349265704.db2.gz LLDZVVDSQSDEHG-HNNXBMFYSA-N 0 3 279.428 2.507 20 30 CFEDHN CN(C)[C@@H](CC(=O)NCC1(C#N)CCCC1)c1ccccc1 ZINC000593786503 349327136 /nfs/dbraw/zinc/32/71/36/349327136.db2.gz LINIYOMIUGAXCW-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN CCOC(=O)CCCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032548 349357227 /nfs/dbraw/zinc/35/72/27/349357227.db2.gz XAXADXNGYVTUCU-UHFFFAOYSA-N 0 3 286.375 2.870 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000593814463 349329468 /nfs/dbraw/zinc/32/94/68/349329468.db2.gz SNIKJLVAQYUBNS-MNOVXSKESA-N 0 3 276.767 2.988 20 30 CFEDHN COc1ccc(C[C@@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000593829593 349330179 /nfs/dbraw/zinc/33/01/79/349330179.db2.gz UJCSRSIXACIVNI-ZFWWWQNUSA-N 0 3 286.375 2.778 20 30 CFEDHN CN(C)c1cccc(NCc2ccc(C(C)(C)C#N)cc2)n1 ZINC000593945540 349337941 /nfs/dbraw/zinc/33/79/41/349337941.db2.gz YOVZPZPWERHRKJ-UHFFFAOYSA-N 0 3 294.402 2.983 20 30 CFEDHN C[C@H](COCC1CC1)NCc1cc(C#N)cs1 ZINC000593681256 349309608 /nfs/dbraw/zinc/30/96/08/349309608.db2.gz CEVDZNVICREMJF-SNVBAGLBSA-N 0 3 250.367 2.524 20 30 CFEDHN CC[C@@H](C#N)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000593739639 349318097 /nfs/dbraw/zinc/31/80/97/349318097.db2.gz FRCMWADAKCUSFX-LBPRGKRZSA-N 0 3 259.353 2.545 20 30 CFEDHN CCC(C#N)C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C ZINC000593744511 349319115 /nfs/dbraw/zinc/31/91/15/349319115.db2.gz DZQBMURUUNPOMX-LBPRGKRZSA-N 0 3 296.411 2.800 20 30 CFEDHN CCC(C#N)C(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000593748385 349320542 /nfs/dbraw/zinc/32/05/42/349320542.db2.gz YKPOMQQKXXLLHZ-JHJVBQTASA-N 0 3 294.395 2.505 20 30 CFEDHN CC(C)(C)CCN1CCN(C(=O)CCCCC#N)CC1 ZINC000594243609 349399349 /nfs/dbraw/zinc/39/93/49/349399349.db2.gz ALSIGLNFROWMQC-UHFFFAOYSA-N 0 3 279.428 2.651 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1cccc2cccnc21 ZINC000594441128 349422441 /nfs/dbraw/zinc/42/24/41/349422441.db2.gz NKLRVDIBSSUUGD-ZDUSSCGKSA-N 0 3 282.347 2.585 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC2(CCCCC2)CC1 ZINC000594438412 349422813 /nfs/dbraw/zinc/42/28/13/349422813.db2.gz NOSCEWKIQOPHQL-OAHLLOKOSA-N 0 3 291.439 2.971 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000594443403 349423619 /nfs/dbraw/zinc/42/36/19/349423619.db2.gz GWIRKNAAYGRAJU-IRXDYDNUSA-N 0 3 299.418 2.535 20 30 CFEDHN CC(C)CC(C)(C)CNC(=O)[C@H](N)CCCCC#N ZINC000594445744 349424588 /nfs/dbraw/zinc/42/45/88/349424588.db2.gz LDQXCVRUMCJIRH-CYBMUJFWSA-N 0 3 267.417 2.586 20 30 CFEDHN CC[C@H]1CCCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594446265 349424919 /nfs/dbraw/zinc/42/49/19/349424919.db2.gz RPEABGJQLZLYTA-KBPBESRZSA-N 0 3 265.401 2.579 20 30 CFEDHN CC(C)(C#N)c1ccc(CNC[C@H]2CCCO2)cc1 ZINC000594493846 349429231 /nfs/dbraw/zinc/42/92/31/349429231.db2.gz STOPAAVTKYTZKA-OAHLLOKOSA-N 0 3 258.365 2.756 20 30 CFEDHN CCCN1CC[C@H](NC(=O)Nc2scc(C)c2C#N)C1 ZINC000596902518 350003372 /nfs/dbraw/zinc/00/33/72/350003372.db2.gz DKZYXWLMUFDJQT-NSHDSACASA-N 0 3 292.408 2.534 20 30 CFEDHN COC(=O)c1ccc2c(c1)[C@@H](NCCCC#N)CCC2 ZINC000594501167 349432235 /nfs/dbraw/zinc/43/22/35/349432235.db2.gz RYEVWYYQQWLRTG-HNNXBMFYSA-N 0 3 272.348 2.744 20 30 CFEDHN CO[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596988543 350012530 /nfs/dbraw/zinc/01/25/30/350012530.db2.gz ZRUZZVMPMQPVLZ-MRXNPFEDSA-N 0 3 270.376 2.853 20 30 CFEDHN CC1(O)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597009083 350015271 /nfs/dbraw/zinc/01/52/71/350015271.db2.gz ORGNUVFLEBOISO-UHFFFAOYSA-N 0 3 270.376 2.589 20 30 CFEDHN CC[C@H](C)N[C@@H](CNC(=O)CCCCC#N)c1ccco1 ZINC000594421135 349416181 /nfs/dbraw/zinc/41/61/81/349416181.db2.gz PSAOLPXFOYMMOL-KBPBESRZSA-N 0 3 291.395 2.909 20 30 CFEDHN CC(C)CCC[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594424368 349417312 /nfs/dbraw/zinc/41/73/12/349417312.db2.gz BTKORHKYXPULFY-UONOGXRCSA-N 0 3 267.417 2.729 20 30 CFEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594425961 349417925 /nfs/dbraw/zinc/41/79/25/349417925.db2.gz NNMCFXBEMKAEKW-CVEARBPZSA-N 0 3 287.407 2.911 20 30 CFEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1CCc2ccccc21 ZINC000594426522 349417936 /nfs/dbraw/zinc/41/79/36/349417936.db2.gz DQFHLPJQBHQWGA-JKSUJKDBSA-N 0 3 285.391 2.544 20 30 CFEDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594428410 349418439 /nfs/dbraw/zinc/41/84/39/349418439.db2.gz NIWJGOPCKPGGFV-ZFWWWQNUSA-N 0 3 273.380 2.584 20 30 CFEDHN CN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CCCCC#N ZINC000594428549 349418750 /nfs/dbraw/zinc/41/87/50/349418750.db2.gz ZGZALJMFFXLKQJ-AWEZNQCLSA-N 0 3 293.798 2.710 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N(Cc1cccs1)C1CC1 ZINC000594428600 349418876 /nfs/dbraw/zinc/41/88/76/349418876.db2.gz NCARGMVVXPGCOL-AWEZNQCLSA-N 0 3 291.420 2.650 20 30 CFEDHN CC(C)(C)C[C@@H]1CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594431283 349420693 /nfs/dbraw/zinc/42/06/93/349420693.db2.gz KYHLKLOKKTVTFZ-KBPBESRZSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000594432660 349420758 /nfs/dbraw/zinc/42/07/58/349420758.db2.gz FWEWPORGCSUXOO-CABCVRRESA-N 0 3 289.354 2.510 20 30 CFEDHN CCS[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594433336 349420909 /nfs/dbraw/zinc/42/09/09/349420909.db2.gz NVNUAROKKPQBIS-MGPQQGTHSA-N 0 3 297.468 2.578 20 30 CFEDHN CC(C)c1cnc(NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594433759 349421326 /nfs/dbraw/zinc/42/13/26/349421326.db2.gz SFSGVCAHTBHMCO-JTQLQIEISA-N 0 3 280.397 2.616 20 30 CFEDHN Cc1ccc2c(c1)N(C(=O)[C@H](N)CCCCC#N)CCC2 ZINC000594434554 349421596 /nfs/dbraw/zinc/42/15/96/349421596.db2.gz OUFIUJYHMFEXHS-OAHLLOKOSA-N 0 3 285.391 2.686 20 30 CFEDHN C[C@H]1C[C@H](N(C)C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597309084 350081558 /nfs/dbraw/zinc/08/15/58/350081558.db2.gz IEVNLZVDAUWISF-LSDHHAIUSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCN1CCC(NC(=O)CC2(C#N)CCCCC2)CC1 ZINC000597169183 350042920 /nfs/dbraw/zinc/04/29/20/350042920.db2.gz RSPVTKDYAJAGML-UHFFFAOYSA-N 0 3 289.423 2.617 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597205793 350055006 /nfs/dbraw/zinc/05/50/06/350055006.db2.gz JNIXRWMIBUBCDA-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN CC(C)CC1(NCc2cnc3ccc(C#N)cn23)CC1 ZINC000597229129 350063591 /nfs/dbraw/zinc/06/35/91/350063591.db2.gz JFFFCIXJGXHRKJ-UHFFFAOYSA-N 0 3 268.364 2.874 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)CC#N ZINC000597344369 350086947 /nfs/dbraw/zinc/08/69/47/350086947.db2.gz MFFPTMBZSNMGSR-LBPRGKRZSA-N 0 3 259.353 2.545 20 30 CFEDHN C=C(C)COc1cc(CNCC2(CO)CC2)ccc1OC ZINC000080247489 539755544 /nfs/dbraw/zinc/75/55/44/539755544.db2.gz JTYIFQWQILEWDR-UHFFFAOYSA-N 0 3 291.391 2.512 20 30 CFEDHN CC(C)[C@@H](C(=O)N1CCC[C@@H](CC#N)C1)N1CCCCC1 ZINC000597913212 350156906 /nfs/dbraw/zinc/15/69/06/350156906.db2.gz ZMGAKULIBARCDT-HOTGVXAUSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCCSCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000597968167 350164364 /nfs/dbraw/zinc/16/43/64/350164364.db2.gz DFYUHTBRAGJXJF-OAHLLOKOSA-N 0 3 296.480 2.819 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000598039503 350182258 /nfs/dbraw/zinc/18/22/58/350182258.db2.gz LADDNUIGVRKMFU-DGCLKSJQSA-N 0 3 258.321 2.883 20 30 CFEDHN C[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598215531 350216792 /nfs/dbraw/zinc/21/67/92/350216792.db2.gz MGLONGBHHDYEBG-HIFRSBDPSA-N 0 3 292.329 2.920 20 30 CFEDHN C[C@@H](C(=O)NCC1(C#N)CCCCC1)N1CCCCCC1 ZINC000598304243 350230496 /nfs/dbraw/zinc/23/04/96/350230496.db2.gz JCSFCUWHPIAJRV-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN C[C@H](C(=O)NCC1(C#N)CCCCC1)N1CCCCCC1 ZINC000598304248 350230693 /nfs/dbraw/zinc/23/06/93/350230693.db2.gz JCSFCUWHPIAJRV-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCC2(C#N)CCCCC2)cc1 ZINC000598309319 350231164 /nfs/dbraw/zinc/23/11/64/350231164.db2.gz ZDTXZIOBIYXLSJ-UHFFFAOYSA-N 0 3 299.418 2.952 20 30 CFEDHN COCC#CCN1CCC[C@@H]1Cc1ccccc1C ZINC000677816953 539788650 /nfs/dbraw/zinc/78/86/50/539788650.db2.gz FJOZYFNISONXMZ-QGZVFWFLSA-N 0 3 257.377 2.652 20 30 CFEDHN CN(C[C@@H]1CC1(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598551065 350281839 /nfs/dbraw/zinc/28/18/39/350281839.db2.gz PHEHBDPDKCMSKZ-HOTGVXAUSA-N 0 3 295.386 2.745 20 30 CFEDHN CC(C)N(Cc1ccco1)C[C@H](O)CC(C)(C)C#N ZINC000598587314 350285884 /nfs/dbraw/zinc/28/58/84/350285884.db2.gz PMDOFRUJUAPYNN-CYBMUJFWSA-N 0 3 264.369 2.791 20 30 CFEDHN C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000598415333 350263463 /nfs/dbraw/zinc/26/34/63/350263463.db2.gz OHBBGMQYTSVOTJ-RDJZCZTQSA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000598620456 350295641 /nfs/dbraw/zinc/29/56/41/350295641.db2.gz AGJSBCCOVRSVDS-RYUDHWBXSA-N 0 3 292.345 2.952 20 30 CFEDHN Cc1ccc2c(c1)CN(C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598626171 350296713 /nfs/dbraw/zinc/29/67/13/350296713.db2.gz ZZDCKGNLHDMYDO-MRXNPFEDSA-N 0 3 272.392 2.654 20 30 CFEDHN COc1ccc(CN2CC(C)(C)CC[C@H]2CO)cc1C#N ZINC000598646602 350301613 /nfs/dbraw/zinc/30/16/13/350301613.db2.gz HXPKRRHSXGCAEA-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN CCOc1cncc(CNCCc2ccc(C#N)cc2)c1 ZINC000598650826 350303302 /nfs/dbraw/zinc/30/33/02/350303302.db2.gz PIEWGXIUAPEBBW-UHFFFAOYSA-N 0 3 281.359 2.684 20 30 CFEDHN C=CCCN(C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598677555 350308435 /nfs/dbraw/zinc/30/84/35/350308435.db2.gz YSOCPKKKCSQTAR-UHFFFAOYSA-N 0 3 276.380 2.619 20 30 CFEDHN Cc1cc(CNC[C@@H](O)CC(C)(C)C#N)ccc1F ZINC000598699714 350312553 /nfs/dbraw/zinc/31/25/53/350312553.db2.gz IAEHZHCCMOFOMQ-ZDUSSCGKSA-N 0 3 264.344 2.525 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCc2occc21 ZINC000598713745 350316032 /nfs/dbraw/zinc/31/60/32/350316032.db2.gz CRGWJJZOSNYTBS-DGCLKSJQSA-N 0 3 262.353 2.547 20 30 CFEDHN COc1cc(Cl)ccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598717954 350316361 /nfs/dbraw/zinc/31/63/61/350316361.db2.gz AATJTZUSYNAJQQ-CYBMUJFWSA-N 0 3 296.798 2.739 20 30 CFEDHN CCSc1cc(CNC[C@H](O)CC(C)(C)C#N)ccn1 ZINC000598722767 350318604 /nfs/dbraw/zinc/31/86/04/350318604.db2.gz AQMIYFGOIMCOKA-CYBMUJFWSA-N 0 3 293.436 2.584 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCOc2c(F)cccc21 ZINC000598725012 350319466 /nfs/dbraw/zinc/31/94/66/350319466.db2.gz SVZZHJSTSIASNS-FZMZJTMJSA-N 0 3 292.354 2.540 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1COc2ccc(Cl)cc21 ZINC000598726132 350320122 /nfs/dbraw/zinc/32/01/22/350320122.db2.gz RMXOUICGPYXQGG-AAEUAGOBSA-N 0 3 294.782 2.664 20 30 CFEDHN CCN(Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598584454 350286428 /nfs/dbraw/zinc/28/64/28/350286428.db2.gz MINPAPZSZUHIAK-GFCCVEGCSA-N 0 3 266.410 2.871 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(OC2CCCC2)CC1 ZINC000598589790 350287216 /nfs/dbraw/zinc/28/72/16/350287216.db2.gz JOOFFKPFKWIQDR-AWEZNQCLSA-N 0 3 294.439 2.711 20 30 CFEDHN C[C@@H]1c2ccccc2CCN1C[C@H](O)CC(C)(C)C#N ZINC000598590474 350287711 /nfs/dbraw/zinc/28/77/11/350287711.db2.gz ZGUDXXWNDXRMOH-UKRRQHHQSA-N 0 3 272.392 2.906 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000598591821 350288227 /nfs/dbraw/zinc/28/82/27/350288227.db2.gz CMMPFPWQPHSIFT-CHWSQXEVSA-N 0 3 262.353 2.717 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000598591963 350288404 /nfs/dbraw/zinc/28/84/04/350288404.db2.gz CSKKWCOZMIGUCG-VNQPRFMTSA-N 0 3 272.392 2.980 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC[C@H]1c1ccc(O)cc1 ZINC000598596291 350289151 /nfs/dbraw/zinc/28/91/51/350289151.db2.gz ZLUCBAQXOOJRIN-CVEARBPZSA-N 0 3 288.391 2.830 20 30 CFEDHN C[C@@H]1c2ccccc2OCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598594834 350289157 /nfs/dbraw/zinc/28/91/57/350289157.db2.gz DTRZSZFYAPFVHZ-KGLIPLIRSA-N 0 3 288.391 2.743 20 30 CFEDHN Cc1csc([C@@H](NC[C@H](O)CC(C)(C)C#N)C2CC2)n1 ZINC000598601403 350290809 /nfs/dbraw/zinc/29/08/09/350290809.db2.gz KISQJHJIMBXJKZ-OLZOCXBDSA-N 0 3 293.436 2.793 20 30 CFEDHN COc1ccc(F)cc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598599158 350290854 /nfs/dbraw/zinc/29/08/54/350290854.db2.gz AJRLJJQREMAQIA-AAEUAGOBSA-N 0 3 294.370 2.786 20 30 CFEDHN COc1ccc(F)cc1[C@@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598599160 350291021 /nfs/dbraw/zinc/29/10/21/350291021.db2.gz AJRLJJQREMAQIA-DGCLKSJQSA-N 0 3 294.370 2.786 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000598599788 350291319 /nfs/dbraw/zinc/29/13/19/350291319.db2.gz FIYMTVAZNXFICS-FZMZJTMJSA-N 0 3 291.351 2.546 20 30 CFEDHN Cc1cnc([C@@H](NC[C@H](O)CC(C)(C)C#N)C2CC2)s1 ZINC000598613939 350293460 /nfs/dbraw/zinc/29/34/60/350293460.db2.gz ZXATWTDLGWOAFB-OLZOCXBDSA-N 0 3 293.436 2.793 20 30 CFEDHN C/C=C/CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000599004848 350358329 /nfs/dbraw/zinc/35/83/29/350358329.db2.gz JDOMFEHXUOVNRH-ONEGZZNKSA-N 0 3 266.348 2.624 20 30 CFEDHN COC(=O)C[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599279196 350405111 /nfs/dbraw/zinc/40/51/11/350405111.db2.gz NMWQVFUHCFWCMQ-MRXNPFEDSA-N 0 3 286.375 2.784 20 30 CFEDHN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000599085110 350373296 /nfs/dbraw/zinc/37/32/96/350373296.db2.gz MOKTWRLEJIXRDY-DRZCJDIDSA-N 0 3 274.339 2.915 20 30 CFEDHN CN(CCc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000092150149 180334470 /nfs/dbraw/zinc/33/44/70/180334470.db2.gz AUGVFBNIQULURK-UHFFFAOYSA-N 0 3 258.296 2.965 20 30 CFEDHN COC(=O)CC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599270578 350403118 /nfs/dbraw/zinc/40/31/18/350403118.db2.gz OKELFXBWZMWMNZ-UHFFFAOYSA-N 0 3 286.375 2.642 20 30 CFEDHN CCN(Cc1ccc(C)c(C#N)c1)C[C@@H]1CCCO1 ZINC000599277721 350404701 /nfs/dbraw/zinc/40/47/01/350404701.db2.gz SITWZDJTBCLHCH-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CCCCCN(CCO)Cc1ccc(C)c(C#N)c1 ZINC000599292018 350407385 /nfs/dbraw/zinc/40/73/85/350407385.db2.gz CZUDUFFRUQEPSN-UHFFFAOYSA-N 0 3 260.381 2.851 20 30 CFEDHN Cc1ccc(CN(C)CCOCC2CC2)cc1C#N ZINC000599315110 350412871 /nfs/dbraw/zinc/41/28/71/350412871.db2.gz JLJCAYCATLVQEE-UHFFFAOYSA-N 0 3 258.365 2.725 20 30 CFEDHN N#CCC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599355293 350421447 /nfs/dbraw/zinc/42/14/47/350421447.db2.gz XUKDGXLUNCDRFR-JKSUJKDBSA-N 0 3 283.375 2.676 20 30 CFEDHN Cc1ccc(CN(C)C[C@H]2CCCC[C@@H]2O)cc1C#N ZINC000599366120 350424221 /nfs/dbraw/zinc/42/42/21/350424221.db2.gz KNNSZXPVTMOJAR-WBVHZDCISA-N 0 3 272.392 2.850 20 30 CFEDHN C[C@@H]1C[C@@H]1CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000599366175 350425366 /nfs/dbraw/zinc/42/53/66/350425366.db2.gz LHDGAEKQNDNPJU-UNEWFSDZSA-N 0 3 287.382 2.664 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000599529519 350451214 /nfs/dbraw/zinc/45/12/14/350451214.db2.gz NJRQLVXAPNBREI-ZDUSSCGKSA-N 0 3 274.364 2.656 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589524 350460832 /nfs/dbraw/zinc/46/08/32/350460832.db2.gz MOVMHFDGPMSJDJ-RDBSUJKOSA-N 0 3 280.412 2.978 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2[C@H](C)CO)cc1C#N ZINC000599465294 350441123 /nfs/dbraw/zinc/44/11/23/350441123.db2.gz FGCLDVLIZIMRSP-PBHICJAKSA-N 0 3 272.392 2.850 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639054 350470301 /nfs/dbraw/zinc/47/03/01/350470301.db2.gz WXNFLEMEHRVJBA-RRQGHBQHSA-N 0 3 270.376 2.714 20 30 CFEDHN COc1ccc([C@H]2CCN(CCOCCC#N)C2)cc1F ZINC000599675933 350478996 /nfs/dbraw/zinc/47/89/96/350478996.db2.gz ABSVMIVHBQFRHY-AWEZNQCLSA-N 0 3 292.354 2.554 20 30 CFEDHN N#CCc1cccc2c1CCN(CCC[C@@H]1CCOC1)C2 ZINC000599677900 350479448 /nfs/dbraw/zinc/47/94/48/350479448.db2.gz MATKNFKRIAZCMH-OAHLLOKOSA-N 0 3 284.403 2.927 20 30 CFEDHN Cc1noc(C)c1CCN1CCc2c(CC#N)cccc2C1 ZINC000599676430 350479788 /nfs/dbraw/zinc/47/97/88/350479788.db2.gz CUNLCNBMUNONFS-UHFFFAOYSA-N 0 3 295.386 2.958 20 30 CFEDHN COCCCCN1CCc2c(CC#N)cccc2C1 ZINC000599678712 350479989 /nfs/dbraw/zinc/47/99/89/350479989.db2.gz LHPSFYDPIDDYJT-UHFFFAOYSA-N 0 3 258.365 2.537 20 30 CFEDHN CCSCCN1CCc2c(CC#N)cccc2C1 ZINC000599677956 350480192 /nfs/dbraw/zinc/48/01/92/350480192.db2.gz FGRDLQLNGNXUHT-UHFFFAOYSA-N 0 3 260.406 2.864 20 30 CFEDHN CO[C@H](CN1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000599678966 350480664 /nfs/dbraw/zinc/48/06/64/350480664.db2.gz UQBBGQSJDUTMLB-QGZVFWFLSA-N 0 3 270.376 2.536 20 30 CFEDHN Cc1cc(CNC[C@H](O)CC2(C#N)CC2)ccc1Cl ZINC000600733876 350603618 /nfs/dbraw/zinc/60/36/18/350603618.db2.gz GETVNRCIIWJHJH-CYBMUJFWSA-N 0 3 278.783 2.793 20 30 CFEDHN N#Cc1ccc(CN2CCCc3cccc(CN)c32)cc1 ZINC000600721297 350601670 /nfs/dbraw/zinc/60/16/70/350601670.db2.gz KTPNSCFVIFTFBI-UHFFFAOYSA-N 0 3 277.371 2.970 20 30 CFEDHN CN(C)CC[NH2+]Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC000600779599 350609694 /nfs/dbraw/zinc/60/96/94/350609694.db2.gz HGEUTEMCGSAAAL-UHFFFAOYSA-N 0 3 295.386 2.582 20 30 CFEDHN CCC[C@H](N)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975824 350640322 /nfs/dbraw/zinc/64/03/22/350640322.db2.gz KUSMUVNWKSZQTR-NSHDSACASA-N 0 3 275.743 2.592 20 30 CFEDHN CCN(CC)CCSc1cc(C#N)nc(C2CC2)n1 ZINC000601119942 350673987 /nfs/dbraw/zinc/67/39/87/350673987.db2.gz GBJNBCHHWJOCAG-UHFFFAOYSA-N 0 3 276.409 2.660 20 30 CFEDHN C=CCN1CCC(Nc2ncc(C#N)c3ccsc32)CC1 ZINC000601113033 350671361 /nfs/dbraw/zinc/67/13/61/350671361.db2.gz JOZAQHYROINJSB-UHFFFAOYSA-N 0 3 298.415 2.652 20 30 CFEDHN COc1cccc2c1OCCC[C@@H]2NCCCC#N ZINC000601275491 350714502 /nfs/dbraw/zinc/71/45/02/350714502.db2.gz AOBOTJLEEYDONI-ZDUSSCGKSA-N 0 3 260.337 2.802 20 30 CFEDHN N#Cc1ccc(CN[C@@H](C2CCC2)[C@H]2CCCO2)o1 ZINC000601156646 350684384 /nfs/dbraw/zinc/68/43/84/350684384.db2.gz UWDHPBLBDBJRSY-CABCVRRESA-N 0 3 260.337 2.589 20 30 CFEDHN CN1CC[C@@H]2CN(c3nc(C(C)(C)C)ccc3C#N)C[C@@H]2C1 ZINC000601185533 350691763 /nfs/dbraw/zinc/69/17/63/350691763.db2.gz WSFFFHGWWKNPKJ-CABCVRRESA-N 0 3 298.434 2.639 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]1C(F)F ZINC000601604625 350745936 /nfs/dbraw/zinc/74/59/36/350745936.db2.gz NSZFGIHESQGKKS-QWHCGFSZSA-N 0 3 278.302 2.625 20 30 CFEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1CC#N ZINC000601391240 350729258 /nfs/dbraw/zinc/72/92/58/350729258.db2.gz NHJXFOHCXDNVCT-CQSZACIVSA-N 0 3 299.418 2.555 20 30 CFEDHN CCN1CCC[C@@H]1CNc1c(F)cc(C#N)cc1F ZINC000111141455 186357117 /nfs/dbraw/zinc/35/71/17/186357117.db2.gz NFDVWVKWOSOBIX-LLVKDONJSA-N 0 3 265.307 2.733 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](NC[C@H](C#N)CCC#N)C2)cc1 ZINC000601966508 350821181 /nfs/dbraw/zinc/82/11/81/350821181.db2.gz BPQUFKJKKRFRJQ-ZWKOTPCHSA-N 0 3 296.418 2.602 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601709782 350766437 /nfs/dbraw/zinc/76/64/37/350766437.db2.gz FZHKCHXDWYOTGO-SNVBAGLBSA-N 0 3 277.343 2.803 20 30 CFEDHN Cc1cccc(CN2CC[C@H](NC(=O)CCCCC#N)C2)c1 ZINC000601851551 350792307 /nfs/dbraw/zinc/79/23/07/350792307.db2.gz JAPVCTWTDRGBCA-KRWDZBQOSA-N 0 3 299.418 2.770 20 30 CFEDHN CC1(CNCc2cccc(F)c2C#N)CCOCC1 ZINC000602010938 350830545 /nfs/dbraw/zinc/83/05/45/350830545.db2.gz FXQZIRAKUCZDPL-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN C[C@H](C[C@@H]1CCOC1)NCc1cccc(F)c1C#N ZINC000602010786 350830812 /nfs/dbraw/zinc/83/08/12/350830812.db2.gz DRARVWPGPSMSFY-NEPJUHHUSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H]1C[C@H](CCNCc2cccc(F)c2C#N)CCO1 ZINC000602014804 350831634 /nfs/dbraw/zinc/83/16/34/350831634.db2.gz GOVNRCLGGJYFIU-QWHCGFSZSA-N 0 3 276.355 2.992 20 30 CFEDHN CO[C@@H](CCNCc1cccc(F)c1C#N)C(F)(F)F ZINC000602017088 350832896 /nfs/dbraw/zinc/83/28/96/350832896.db2.gz MFURAURAHYXSQD-LBPRGKRZSA-N 0 3 290.260 2.754 20 30 CFEDHN Cc1nccn1C[C@H](C)CNCc1cccc(F)c1C#N ZINC000602004645 350827955 /nfs/dbraw/zinc/82/79/55/350827955.db2.gz WMCSJSZNLYJKTH-GFCCVEGCSA-N 0 3 286.354 2.628 20 30 CFEDHN CCCCN(C)CCNCc1cccc(F)c1C#N ZINC000602005516 350828084 /nfs/dbraw/zinc/82/80/84/350828084.db2.gz JFVSYGGDMQHSDM-UHFFFAOYSA-N 0 3 263.360 2.519 20 30 CFEDHN C[C@@H]1CCN(Cc2cccc(C#N)n2)CC12CCC2 ZINC000602595034 350939694 /nfs/dbraw/zinc/93/96/94/350939694.db2.gz FXTOTVCERMEMHQ-CYBMUJFWSA-N 0 3 255.365 2.965 20 30 CFEDHN CC(C)CC[C@H](N)C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602521014 350912972 /nfs/dbraw/zinc/91/29/72/350912972.db2.gz MMXKDFKRGGGFBK-INIZCTEOSA-N 0 3 299.418 2.817 20 30 CFEDHN C=CCSCCNCc1nc2ccccc2nc1C ZINC000602545248 350919180 /nfs/dbraw/zinc/91/91/80/350919180.db2.gz OSNKPDQTPZFICN-UHFFFAOYSA-N 0 3 273.405 2.947 20 30 CFEDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](C)CCC#N ZINC000602550303 350921119 /nfs/dbraw/zinc/92/11/19/350921119.db2.gz MCACLJCIUUKXNG-LLVKDONJSA-N 0 3 277.324 2.633 20 30 CFEDHN CCc1ccc(CCNCc2cccc(C#N)n2)cc1 ZINC000602553802 350922832 /nfs/dbraw/zinc/92/28/32/350922832.db2.gz VEODXJZIDZKVSH-UHFFFAOYSA-N 0 3 265.360 2.848 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)n2)C12CCCC2 ZINC000602562064 350925178 /nfs/dbraw/zinc/92/51/78/350925178.db2.gz VONZMBCMIQJXKD-JKSUJKDBSA-N 0 3 285.391 2.781 20 30 CFEDHN COC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)[nH]c1C ZINC000602564125 350925764 /nfs/dbraw/zinc/92/57/64/350925764.db2.gz DWSNKEWRNMUHDN-LLVKDONJSA-N 0 3 297.358 2.832 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCOC3(CCCC3)C2)n1 ZINC000602567102 350927745 /nfs/dbraw/zinc/92/77/45/350927745.db2.gz HOUWAJGYNLILCI-ZDUSSCGKSA-N 0 3 271.364 2.535 20 30 CFEDHN COc1ccc(CNC[C@@H](C)CCC#N)c(F)c1 ZINC000602569525 350928694 /nfs/dbraw/zinc/92/86/94/350928694.db2.gz SRUUMPPVDVRHGG-NSHDSACASA-N 0 3 250.317 2.864 20 30 CFEDHN CC(C)[C@@H](CNCc1cccc(C#N)n1)c1cccnc1 ZINC000602574247 350930315 /nfs/dbraw/zinc/93/03/15/350930315.db2.gz ZAMZHNITHJNVLU-QGZVFWFLSA-N 0 3 280.375 2.878 20 30 CFEDHN COc1ccc(C[C@@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602580357 350932653 /nfs/dbraw/zinc/93/26/53/350932653.db2.gz MICRXIUTIYHBKP-CQSZACIVSA-N 0 3 295.386 2.930 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602580110 350932728 /nfs/dbraw/zinc/93/27/28/350932728.db2.gz NBAKSLBZACYOQU-WFASDCNBSA-N 0 3 273.380 2.637 20 30 CFEDHN COCC[C@@H](NC[C@H](C)CCC#N)c1ccco1 ZINC000602601793 350941395 /nfs/dbraw/zinc/94/13/95/350941395.db2.gz BDPAGXRQYLMWJF-CHWSQXEVSA-N 0 3 250.342 2.887 20 30 CFEDHN COc1ccc(C[C@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602580356 350932889 /nfs/dbraw/zinc/93/28/89/350932889.db2.gz MICRXIUTIYHBKP-AWEZNQCLSA-N 0 3 295.386 2.930 20 30 CFEDHN CC[C@@](C)(NC(=O)[C@@H](N)CCCC#N)c1ccc(F)cc1 ZINC000602581559 350933523 /nfs/dbraw/zinc/93/35/23/350933523.db2.gz KHJCITMFJHLGSQ-GOEBONIOSA-N 0 3 291.370 2.588 20 30 CFEDHN CCC1(CC)[C@H](NCc2cccc(C#N)n2)[C@H](C)[C@@H]1OC ZINC000602582818 350934362 /nfs/dbraw/zinc/93/43/62/350934362.db2.gz OWWOQEVXRHHLBQ-MAZHCROVSA-N 0 3 287.407 2.883 20 30 CFEDHN CCC(CC)[C@H](CCNCc1cccc(C#N)n1)OC ZINC000602584066 350935410 /nfs/dbraw/zinc/93/54/10/350935410.db2.gz XTJOIWDOQQVRDX-INIZCTEOSA-N 0 3 275.396 2.884 20 30 CFEDHN CCC[C@H](CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444075 350886027 /nfs/dbraw/zinc/88/60/27/350886027.db2.gz KIHIERJOOXROSU-QGZVFWFLSA-N 0 3 290.407 2.822 20 30 CFEDHN C[C@H](CCC#N)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000602466532 350892882 /nfs/dbraw/zinc/89/28/82/350892882.db2.gz AOMLMABOTINHJX-CVEARBPZSA-N 0 3 286.423 2.700 20 30 CFEDHN N#CC1CCC(CNCc2cc(C3CC3)no2)CC1 ZINC000602658355 350963322 /nfs/dbraw/zinc/96/33/22/350963322.db2.gz VCTBDZWPBCTPAU-UHFFFAOYSA-N 0 3 259.353 2.972 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC2(C1)Oc1ccccc1O2 ZINC000602662407 350965558 /nfs/dbraw/zinc/96/55/58/350965558.db2.gz DSTMROPSSQJWHL-ZDUSSCGKSA-N 0 3 272.348 2.800 20 30 CFEDHN COc1ncc(CNCC(C)(C)CCC#N)s1 ZINC000602661817 350965831 /nfs/dbraw/zinc/96/58/31/350965831.db2.gz IWYHYNOLFVBQHF-UHFFFAOYSA-N 0 3 253.371 2.571 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000602677994 350973887 /nfs/dbraw/zinc/97/38/87/350973887.db2.gz ZAKQSKVNUZKZAI-YOEHRIQHSA-N 0 3 263.344 2.847 20 30 CFEDHN N#CC1CCC(Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000602676293 350973945 /nfs/dbraw/zinc/97/39/45/350973945.db2.gz LTXNPOVHCXLJKD-PVARCSIZSA-N 0 3 299.418 2.747 20 30 CFEDHN C[C@H](CCC#N)CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000602679797 350974718 /nfs/dbraw/zinc/97/47/18/350974718.db2.gz SCBOQHPVUUSLEM-DJIMGWMZSA-N 0 3 290.382 2.726 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000602679311 350974753 /nfs/dbraw/zinc/97/47/53/350974753.db2.gz CRUCTLSKEBTVLW-QWHCGFSZSA-N 0 3 291.361 2.742 20 30 CFEDHN Cc1ccncc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602686531 350978198 /nfs/dbraw/zinc/97/81/98/350978198.db2.gz WTLDPOOHFVHSGN-CQSZACIVSA-N 0 3 273.380 2.579 20 30 CFEDHN C[C@@H](O)[C@H](NC[C@H](C)CCC#N)c1ccccc1F ZINC000602700383 350985822 /nfs/dbraw/zinc/98/58/22/350985822.db2.gz UAOFSQNXVMNNLI-JMSVASOKSA-N 0 3 264.344 2.777 20 30 CFEDHN COc1cccc(OC)c1CNC1CCC(C#N)CC1 ZINC000602710620 350992985 /nfs/dbraw/zinc/99/29/85/350992985.db2.gz NINLLCJQKCVZGB-UHFFFAOYSA-N 0 3 274.364 2.876 20 30 CFEDHN CC(C)c1ncc2c(n1)CCN(C[C@H](C)CCC#N)C2 ZINC000602720482 350999110 /nfs/dbraw/zinc/99/91/10/350999110.db2.gz IJNJCWACCRCGOY-CYBMUJFWSA-N 0 3 272.396 2.898 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C)c(C(=O)OC)[nH]2)C1 ZINC000602721783 350999840 /nfs/dbraw/zinc/99/98/40/350999840.db2.gz VKJBAAJPNPLMTR-LBPRGKRZSA-N 0 3 262.353 2.508 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)n1 ZINC000602720852 350999962 /nfs/dbraw/zinc/99/99/62/350999962.db2.gz FCBOXXXDDJSZQV-GVDBMIGSSA-N 0 3 279.318 2.520 20 30 CFEDHN CC(C)C1(CN2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000602614060 350946254 /nfs/dbraw/zinc/94/62/54/350946254.db2.gz BPNAKKBYRCZURV-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN Cc1csc([C@@H](C)CNCc2cccc(C#N)n2)n1 ZINC000602616340 350947295 /nfs/dbraw/zinc/94/72/95/350947295.db2.gz VGLVKEHXPATJBR-JTQLQIEISA-N 0 3 272.377 2.612 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCc2ncnn21 ZINC000602764838 351017352 /nfs/dbraw/zinc/01/73/52/351017352.db2.gz ZOSMBRKRQTYEJX-INIZCTEOSA-N 0 3 295.390 2.549 20 30 CFEDHN CCCCCC(=O)NC1CCN(CC2(CC#N)CC2)CC1 ZINC000602766320 351017915 /nfs/dbraw/zinc/01/79/15/351017915.db2.gz PQWXEZOIRJHTFR-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN C[C@H](Cc1ccc(O)cc1)N(C)CC1(CC#N)CC1 ZINC000602789712 351025816 /nfs/dbraw/zinc/02/58/16/351025816.db2.gz ZBTYIFSZLBOCPC-CYBMUJFWSA-N 0 3 258.365 2.949 20 30 CFEDHN CC(C)OCCOC1CCN(CC2(CC#N)CC2)CC1 ZINC000602837977 351040950 /nfs/dbraw/zinc/04/09/50/351040950.db2.gz QUARVUNZIBNCAS-UHFFFAOYSA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@@H](CN(C)CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000602839879 351042058 /nfs/dbraw/zinc/04/20/58/351042058.db2.gz KJQMACNWOYAQKE-LBPRGKRZSA-N 0 3 266.385 2.590 20 30 CFEDHN C[C@@H]1CN([C@H]2C=CCCCCC2)C[C@H](C)N1CC#N ZINC000602851977 351044898 /nfs/dbraw/zinc/04/48/98/351044898.db2.gz ZJCLOJUBSNJUGK-XHSDSOJGSA-N 0 3 261.413 2.793 20 30 CFEDHN C[C@@H](c1ccccc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855494 351047174 /nfs/dbraw/zinc/04/71/74/351047174.db2.gz HHIAYSKIAURHEO-ZNMIVQPWSA-N 0 3 257.381 2.666 20 30 CFEDHN C[C@@H]1CN(CCSC2CCCCC2)C[C@@H](C)N1CC#N ZINC000602854681 351047661 /nfs/dbraw/zinc/04/76/61/351047661.db2.gz QBWSTLQPDDIKTM-HUUCEWRRSA-N 0 3 295.496 2.970 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602880827 351055942 /nfs/dbraw/zinc/05/59/42/351055942.db2.gz MQDMRYGEJOSRGV-INIZCTEOSA-N 0 3 266.348 2.813 20 30 CFEDHN N#CCC1(CN2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000602903478 351061190 /nfs/dbraw/zinc/06/11/90/351061190.db2.gz QIAWJHUEUIWTPJ-OAHLLOKOSA-N 0 3 256.349 2.834 20 30 CFEDHN N#Cc1ccc(C2CCN(CCc3ccncc3)CC2)nc1 ZINC000602907595 351063505 /nfs/dbraw/zinc/06/35/05/351063505.db2.gz OMYRGQLHHDNUDT-UHFFFAOYSA-N 0 3 292.386 2.770 20 30 CFEDHN N#Cc1ccccc1Cn1cc(CNC2CCCCC2)nn1 ZINC000603172207 351114886 /nfs/dbraw/zinc/11/48/86/351114886.db2.gz FMDXMCFNLPJZLD-UHFFFAOYSA-N 0 3 295.390 2.620 20 30 CFEDHN CC(C)(C#N)CCCn1cc(CNC2CCCC2)nn1 ZINC000603261843 351126487 /nfs/dbraw/zinc/12/64/87/351126487.db2.gz VRUCKXRALIEVKU-UHFFFAOYSA-N 0 3 275.400 2.640 20 30 CFEDHN Cc1ncc([C@@H](C)NCCCSCC#N)s1 ZINC000602955272 351071857 /nfs/dbraw/zinc/07/18/57/351071857.db2.gz IKMWRCIRQYRKTB-SECBINFHSA-N 0 3 255.412 2.749 20 30 CFEDHN CC1(F)CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000602992853 351086958 /nfs/dbraw/zinc/08/69/58/351086958.db2.gz ICLUCAUZVJXJMG-UHFFFAOYSA-N 0 3 289.354 2.711 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000602997103 351088209 /nfs/dbraw/zinc/08/82/09/351088209.db2.gz CLGIQNBGPNZXAL-PVAVHDDUSA-N 0 3 288.366 2.823 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1F ZINC000602996995 351088298 /nfs/dbraw/zinc/08/82/98/351088298.db2.gz AFCGADLQXXSFCA-JYJNAYRXSA-N 0 3 288.366 2.823 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1nc2c(cc1C#N)CCC2 ZINC000603858082 351187020 /nfs/dbraw/zinc/18/70/20/351187020.db2.gz GCEVUWPAQQQXFJ-CYBMUJFWSA-N 0 3 284.407 2.728 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1ccccc1Cl ZINC000609574683 351508843 /nfs/dbraw/zinc/50/88/43/351508843.db2.gz VRSHFJBMVCVYIT-LBPRGKRZSA-N 0 3 277.799 2.979 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000609620676 351512129 /nfs/dbraw/zinc/51/21/29/351512129.db2.gz LXVMMFBJIZRXBX-RYUDHWBXSA-N 0 3 283.331 2.693 20 30 CFEDHN C#CC[C@H](N[C@@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC000271433015 191135883 /nfs/dbraw/zinc/13/58/83/191135883.db2.gz DIRDLSPQGIDLQB-RDJZCZTQSA-N 0 3 286.419 2.988 20 30 CFEDHN N#Cc1cc(NC2CCN(C3CC3)CC2)nc2ccccc12 ZINC000609890969 351525875 /nfs/dbraw/zinc/52/58/75/351525875.db2.gz OXINRRHFYBFMJE-UHFFFAOYSA-N 0 3 292.386 2.567 20 30 CFEDHN CCCN(Cc1ccc(OC)cc1)C(=O)C(C)C#N ZINC000609919727 351528323 /nfs/dbraw/zinc/52/83/23/351528323.db2.gz GXFOQESKJQWVFW-GFCCVEGCSA-N 0 3 260.337 2.593 20 30 CFEDHN COc1ccc2[nH]cc(CCNCc3ccc(C#N)o3)c2c1 ZINC000610270963 351545704 /nfs/dbraw/zinc/54/57/04/351545704.db2.gz AXAFWILXPNDSPX-UHFFFAOYSA-N 0 3 295.342 2.973 20 30 CFEDHN N#Cc1cc(N2CCN(C3CCC3)CC2)c2ccccc2n1 ZINC000610278314 351547887 /nfs/dbraw/zinc/54/78/87/351547887.db2.gz GWIJIGUMJCWCET-UHFFFAOYSA-N 0 3 292.386 2.781 20 30 CFEDHN Cc1nccc([C@H]2CCCN(CCCSCC#N)C2)n1 ZINC000610409714 351563768 /nfs/dbraw/zinc/56/37/68/351563768.db2.gz WQVDIOPYUCIYOA-AWEZNQCLSA-N 0 3 290.436 2.611 20 30 CFEDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1cccc(C#N)c1 ZINC000610429765 351565972 /nfs/dbraw/zinc/56/59/72/351565972.db2.gz AWTXLQQGRPOKGR-MCIONIFRSA-N 0 3 285.391 2.608 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C12CCCCC2 ZINC000610428885 351566040 /nfs/dbraw/zinc/56/60/40/351566040.db2.gz GBAWKARDSSFJGY-MELADBBJSA-N 0 3 278.396 2.732 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)s1 ZINC000610511489 351575459 /nfs/dbraw/zinc/57/54/59/351575459.db2.gz UKQQPJWAVNGALG-WBMJQRKESA-N 0 3 286.400 2.874 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000610812468 351610345 /nfs/dbraw/zinc/61/03/45/351610345.db2.gz DIAUVFFVOGWQGM-ZFWWWQNUSA-N 0 3 262.328 2.602 20 30 CFEDHN CO[C@@H]1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000610959406 351625293 /nfs/dbraw/zinc/62/52/93/351625293.db2.gz WZZSKSDBFUUGOP-ZIAGYGMSSA-N 0 3 262.328 2.745 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993056 351630050 /nfs/dbraw/zinc/63/00/50/351630050.db2.gz AWLPURXFWUUNBE-HUUCEWRRSA-N 0 3 273.380 2.589 20 30 CFEDHN COc1ccc(CN2CCC[C@H]2C2CC2)cc1C#N ZINC000610992418 351630337 /nfs/dbraw/zinc/63/03/37/351630337.db2.gz CELMYCUOKPWAKU-HNNXBMFYSA-N 0 3 256.349 2.941 20 30 CFEDHN CCC1(CC)[C@H](N(C)Cc2ccnc(C#N)c2)C[C@@H]1OC ZINC000610995180 351632214 /nfs/dbraw/zinc/63/22/14/351632214.db2.gz ULMSRXUSOXHVRI-CVEARBPZSA-N 0 3 287.407 2.979 20 30 CFEDHN C[C@H](NCCC(=O)N1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000611386108 351678357 /nfs/dbraw/zinc/67/83/57/351678357.db2.gz CQRMKAPEVIJSLN-KBPBESRZSA-N 0 3 285.391 2.610 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](CO)CC(F)(F)F ZINC000611394533 351681310 /nfs/dbraw/zinc/68/13/10/351681310.db2.gz PEDDVPHDHOHXSI-GXTWGEPZSA-N 0 3 298.308 2.839 20 30 CFEDHN N#Cc1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)ccn1 ZINC000611395637 351682465 /nfs/dbraw/zinc/68/24/65/351682465.db2.gz LJOWZFCKVSQNDP-SJLPKXTDSA-N 0 3 293.370 2.821 20 30 CFEDHN CC(C)(O)CN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000611434632 351690258 /nfs/dbraw/zinc/69/02/58/351690258.db2.gz SRVJODRYGDVBOL-UHFFFAOYSA-N 0 3 295.386 2.726 20 30 CFEDHN CNC(=O)[C@H](CC(C)C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611477020 351696173 /nfs/dbraw/zinc/69/61/73/351696173.db2.gz LFFMKLUNXASSCR-IRXDYDNUSA-N 0 3 299.418 2.686 20 30 CFEDHN CN1CC[C@@H]2CCN(c3cc(C#N)nc4ccccc43)[C@H]2C1 ZINC000611510194 351701578 /nfs/dbraw/zinc/70/15/78/351701578.db2.gz GCXMWBTXUAAVTB-ACJLOTCBSA-N 0 3 292.386 2.637 20 30 CFEDHN CN(C)c1cccc(CN2CCC(CC#N)CC2)c1 ZINC000611688994 351724051 /nfs/dbraw/zinc/72/40/51/351724051.db2.gz ZTXUIWUTRUSGQW-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000611801301 351741759 /nfs/dbraw/zinc/74/17/59/351741759.db2.gz VQYLOWHRECIRBO-LXIYXOSZSA-N 0 3 263.406 2.877 20 30 CFEDHN C[C@H](NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C#N)cc1 ZINC000612417053 351818579 /nfs/dbraw/zinc/81/85/79/351818579.db2.gz VNHKZQOIOLXIQR-NSHDSACASA-N 0 3 292.342 2.991 20 30 CFEDHN C=CCN(C[C@@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000271448045 191142150 /nfs/dbraw/zinc/14/21/50/191142150.db2.gz NRJOJRJKQBEVIM-CQSZACIVSA-N 0 3 286.375 2.558 20 30 CFEDHN Cc1ccccc1CNCc1cnc2ccc(C#N)cn12 ZINC000123170666 187076018 /nfs/dbraw/zinc/07/60/18/187076018.db2.gz NVINFMHZUCZFKG-UHFFFAOYSA-N 0 3 276.343 2.804 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](NCC(C)(C)C#N)C1 ZINC000612587970 351840629 /nfs/dbraw/zinc/84/06/29/351840629.db2.gz JDHVLUJFQNOWFO-HOCLYGCPSA-N 0 3 271.408 2.961 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCC(C)(C)C#N)C1 ZINC000612587966 351840715 /nfs/dbraw/zinc/84/07/15/351840715.db2.gz JDHVLUJFQNOWFO-GDBMZVCRSA-N 0 3 271.408 2.961 20 30 CFEDHN COc1ccc(CN2CCCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000123901665 187113800 /nfs/dbraw/zinc/11/38/00/187113800.db2.gz PCMMVDQHFUZNRZ-CJNGLKHVSA-N 0 3 288.391 2.692 20 30 CFEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)C(=O)NC)cc1 ZINC000291949998 198114880 /nfs/dbraw/zinc/11/48/80/198114880.db2.gz QRKWYFQFDADMFA-RYUDHWBXSA-N 0 3 296.798 2.603 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000613385531 351948750 /nfs/dbraw/zinc/94/87/50/351948750.db2.gz RUWCKOSQWOBOOH-CABCVRRESA-N 0 3 265.397 2.842 20 30 CFEDHN CN(c1nc(C(C)(C)C)ccc1C#N)[C@H]1CCCN(C)C1 ZINC000613426120 351956744 /nfs/dbraw/zinc/95/67/44/351956744.db2.gz RPZCHGAIQYJKOD-AWEZNQCLSA-N 0 3 286.423 2.781 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCC[C@H](CO)C2)cc1 ZINC000614159591 352054227 /nfs/dbraw/zinc/05/42/27/352054227.db2.gz IIIIUOYFPJJHPC-HNNXBMFYSA-N 0 3 272.392 2.692 20 30 CFEDHN CCN(CCC(=O)OC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614162957 352054396 /nfs/dbraw/zinc/05/43/96/352054396.db2.gz IEOMQMFFCYMDFL-UHFFFAOYSA-N 0 3 288.391 2.873 20 30 CFEDHN CN(CCn1cccn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166985 352055175 /nfs/dbraw/zinc/05/51/75/352055175.db2.gz VZASTTSMXLWRHP-UHFFFAOYSA-N 0 3 282.391 2.816 20 30 CFEDHN CN(CC1(CC#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381813810 539829621 /nfs/dbraw/zinc/82/96/21/539829621.db2.gz BJJIFABMJPAFDY-QGZVFWFLSA-N 0 3 283.419 2.887 20 30 CFEDHN Cc1ncc([C@H](C)N2CCC(CC#N)CC2)c(C)n1 ZINC000614964065 352137113 /nfs/dbraw/zinc/13/71/13/352137113.db2.gz UZRIZLDFZNJVIW-LBPRGKRZSA-N 0 3 258.369 2.780 20 30 CFEDHN CO[C@@]1(C(F)(F)F)CCCN(CCCSCC#N)C1 ZINC000614925043 352132852 /nfs/dbraw/zinc/13/28/52/352132852.db2.gz SRPZHPODMBCVBT-NSHDSACASA-N 0 3 296.358 2.677 20 30 CFEDHN C=CCCOCCCCC(=O)N1CCCN(C)C[C@@H]1CC ZINC000614331901 352080057 /nfs/dbraw/zinc/08/00/57/352080057.db2.gz UKCVDPGNHYKZPJ-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000271482382 191164335 /nfs/dbraw/zinc/16/43/35/191164335.db2.gz STIUKWKFEYMXSD-INIZCTEOSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2ccc(OC)cc21 ZINC000311726759 539850474 /nfs/dbraw/zinc/85/04/74/539850474.db2.gz NLTBSDHPCBIDCG-MRXNPFEDSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)COC2 ZINC000271535869 191198253 /nfs/dbraw/zinc/19/82/53/191198253.db2.gz QHYXSMICUUJLMG-ZDUSSCGKSA-N 0 3 261.365 2.960 20 30 CFEDHN C=C(C)COc1cc(CNCC(C)(C)CO)ccc1OC ZINC000136069293 539878420 /nfs/dbraw/zinc/87/84/20/539878420.db2.gz DZXMZENPJVZTHE-UHFFFAOYSA-N 0 3 293.407 2.758 20 30 CFEDHN CC(C)[C@@H]1CN(c2cc(C#N)nc3ccccc32)CCN1C ZINC000617000685 352458489 /nfs/dbraw/zinc/45/84/89/352458489.db2.gz NPHWLBRYSCCPHP-SFHVURJKSA-N 0 3 294.402 2.883 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617007539 352462507 /nfs/dbraw/zinc/46/25/07/352462507.db2.gz VJZGGAJBZJBRPA-GFCCVEGCSA-N 0 3 252.402 2.578 20 30 CFEDHN C=C[C@@H](CC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292078164 198155002 /nfs/dbraw/zinc/15/50/02/198155002.db2.gz CGACIVIEWSGXOI-QFBILLFUSA-N 0 3 298.430 2.901 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCN(C)[C@H](C(C)C)C1 ZINC000617065720 352489117 /nfs/dbraw/zinc/48/91/17/352489117.db2.gz FVIFDSCKVCSISC-KRWDZBQOSA-N 0 3 271.408 2.639 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617344166 352545014 /nfs/dbraw/zinc/54/50/14/352545014.db2.gz BPFXSHWTMBVSLF-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN Cc1ccccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292110711 198165925 /nfs/dbraw/zinc/16/59/25/198165925.db2.gz HCOKBASNVKQSHR-KRWDZBQOSA-N 0 3 293.370 2.915 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCc2cc[nH]c(=O)c2C1 ZINC000617262399 352524868 /nfs/dbraw/zinc/52/48/68/352524868.db2.gz GVHMYSCOVTUVNT-UHFFFAOYSA-N 0 3 279.343 2.526 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccnc(C#N)c2)[C@@H](C)[C@@H]1OC ZINC000617549873 352579028 /nfs/dbraw/zinc/57/90/28/352579028.db2.gz IWUZSFJXGFGXHG-WQVCFCJDSA-N 0 3 287.407 2.883 20 30 CFEDHN C[C@@H](NCCO[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000618302261 352751668 /nfs/dbraw/zinc/75/16/68/352751668.db2.gz QKDQGHOCSKPOSL-CZUORRHYSA-N 0 3 274.364 2.752 20 30 CFEDHN C[C@H](CN1CCCCC1)NCc1ccc(C#N)s1 ZINC000135678293 187847676 /nfs/dbraw/zinc/84/76/76/187847676.db2.gz VMGBGEBGWBVSOX-GFCCVEGCSA-N 0 3 263.410 2.584 20 30 CFEDHN C#CCN[C@@](C)(CC)COc1ncccc1Cl ZINC000136237469 187871993 /nfs/dbraw/zinc/87/19/93/187871993.db2.gz ZEHYLGFKROGHTC-ZDUSSCGKSA-N 0 3 252.745 2.505 20 30 CFEDHN CCC[C@]1(COC)CCCN1Cc1ccnc(C#N)c1 ZINC000618550650 352806926 /nfs/dbraw/zinc/80/69/26/352806926.db2.gz OLUMPJZIQONENE-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618891007 352906242 /nfs/dbraw/zinc/90/62/42/352906242.db2.gz QIMQBUMDTFFOGL-PBFPGSCMSA-N 0 3 297.402 2.535 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618985258 352926934 /nfs/dbraw/zinc/92/69/34/352926934.db2.gz FTQJBHPEUTWJCF-GOEBONIOSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC1(C(=O)N[C@H](C)CN2CCC(C)CC2)CCC1 ZINC000618984923 352927008 /nfs/dbraw/zinc/92/70/08/352927008.db2.gz ANCZGCIRJGNGBP-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000618985257 352927327 /nfs/dbraw/zinc/92/73/27/352927327.db2.gz FTQJBHPEUTWJCF-GDBMZVCRSA-N 0 3 266.429 2.825 20 30 CFEDHN Cc1c(CN(C)CCCCC(C)(C)C#N)cnn1C ZINC000619184117 352974297 /nfs/dbraw/zinc/97/42/97/352974297.db2.gz BJEKPQQOIJEASX-UHFFFAOYSA-N 0 3 262.401 2.880 20 30 CFEDHN Cn1cc2c(n1)CCC[C@H]2N[C@H]1CCc2cc(C#N)ccc21 ZINC000619465957 353027848 /nfs/dbraw/zinc/02/78/48/353027848.db2.gz NZQDYALTVJTFKS-SJORKVTESA-N 0 3 292.386 2.946 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292253163 198219141 /nfs/dbraw/zinc/21/91/41/198219141.db2.gz SGHMWMRJUYUUQO-CQSZACIVSA-N 0 3 290.407 2.632 20 30 CFEDHN C[C@@H](Cn1cccn1)NCc1ccc(C#N)c(Cl)c1 ZINC000619754595 353063397 /nfs/dbraw/zinc/06/33/97/353063397.db2.gz FGNSDUVDAMOKQA-NSHDSACASA-N 0 3 274.755 2.586 20 30 CFEDHN CO[C@H](C)[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754540 353063550 /nfs/dbraw/zinc/06/35/50/353063550.db2.gz COFQQZMDNOYILX-VHSXEESVSA-N 0 3 252.745 2.725 20 30 CFEDHN C[C@@H](CN1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C ZINC000619844074 353068687 /nfs/dbraw/zinc/06/86/87/353068687.db2.gz LJWIGKYIGHJFHK-AWEZNQCLSA-N 0 3 286.423 2.757 20 30 CFEDHN N#CC1(CCCN2CC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000619621071 353041183 /nfs/dbraw/zinc/04/11/83/353041183.db2.gz UQBSQHVUKJMPNS-LBPRGKRZSA-N 0 3 290.329 2.971 20 30 CFEDHN COC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000152466648 188021392 /nfs/dbraw/zinc/02/13/92/188021392.db2.gz NPYNJLGBIYNHSG-OAHLLOKOSA-N 0 3 261.340 2.536 20 30 CFEDHN C[C@@H](N[C@H]1CCN(c2ccccn2)C1)c1ccc(C#N)cc1 ZINC000153064280 188062503 /nfs/dbraw/zinc/06/25/03/188062503.db2.gz SVENIDMNYRPBTQ-PBHICJAKSA-N 0 3 292.386 2.883 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1CN(C2CCCCC2)C1 ZINC000620302264 353148031 /nfs/dbraw/zinc/14/80/31/353148031.db2.gz WPZZGQBKXCSVSK-CALCHBBNSA-N 0 3 288.435 2.961 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)N(CC)CC ZINC000620309423 353149845 /nfs/dbraw/zinc/14/98/45/353149845.db2.gz PIPLVUBNUVPVQZ-ZNMIVQPWSA-N 0 3 264.413 2.816 20 30 CFEDHN Cc1nc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c(Cl)cc1C#N ZINC000292350376 198254177 /nfs/dbraw/zinc/25/41/77/198254177.db2.gz BWUORYJGXWTYEN-GWCFXTLKSA-N 0 3 292.814 2.834 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN[C@H](C(C)C)C1)c1ccccc1 ZINC000621155414 353289323 /nfs/dbraw/zinc/28/93/23/353289323.db2.gz FVOLFLBFPVSPLJ-WBVHZDCISA-N 0 3 286.419 2.803 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccnn1CCc1ccccc1 ZINC000621359842 353335807 /nfs/dbraw/zinc/33/58/07/353335807.db2.gz YXCVKFYQENDDNN-MSOLQXFVSA-N 0 3 297.402 2.559 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccnn1CCc1ccccc1 ZINC000621360013 353335839 /nfs/dbraw/zinc/33/58/39/353335839.db2.gz BTTDGCVLDVLRIA-KRWDZBQOSA-N 0 3 299.418 2.543 20 30 CFEDHN CC#CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000157575379 188326262 /nfs/dbraw/zinc/32/62/62/188326262.db2.gz YLFDFMYNEPEYQN-UHFFFAOYSA-N 0 3 258.321 2.973 20 30 CFEDHN C=CCOc1c(Cl)cc(CN[C@H]2CCOC2)cc1OC ZINC000623470772 353651417 /nfs/dbraw/zinc/65/14/17/353651417.db2.gz AQGFBQHAKPSNNK-LBPRGKRZSA-N 0 3 297.782 2.792 20 30 CFEDHN C=CCOc1c(Cl)cc(CNC[C@@H](O)CC)cc1OC ZINC000623530814 353665418 /nfs/dbraw/zinc/66/54/18/353665418.db2.gz PHGABIRZFPMVNN-LBPRGKRZSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CCOc1c(Cl)cc(CNC[C@H](O)CC)cc1OC ZINC000623553316 353670570 /nfs/dbraw/zinc/67/05/70/353670570.db2.gz PHGABIRZFPMVNN-GFCCVEGCSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C1 ZINC000623601408 353682696 /nfs/dbraw/zinc/68/26/96/353682696.db2.gz CGWOWDHTPZGDGT-HRCADAONSA-N 0 3 293.455 2.714 20 30 CFEDHN N#Cc1cc(CN2CCN(C3CCCC3)CC2)ccc1F ZINC000160759263 188489321 /nfs/dbraw/zinc/48/93/21/188489321.db2.gz ITKRUBOGXREFRO-UHFFFAOYSA-N 0 3 287.382 2.758 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cc(Br)ccc1C ZINC000624016418 353785377 /nfs/dbraw/zinc/78/53/77/353785377.db2.gz WHANTFVXDCTMJY-ZYHUDNBSSA-N 0 3 284.197 2.955 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCN1C ZINC000624326776 353863002 /nfs/dbraw/zinc/86/30/02/353863002.db2.gz UUZSGLINHMCWNV-KFWWJZLASA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC(F)(F)C(=O)NCc1cccc(CN(C)C)c1 ZINC000293176426 198550502 /nfs/dbraw/zinc/55/05/02/198550502.db2.gz VOPYAWOVUCEGLG-UHFFFAOYSA-N 0 3 282.334 2.576 20 30 CFEDHN C=CCCCCN(Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000625389057 354038890 /nfs/dbraw/zinc/03/88/90/354038890.db2.gz ACIANPQGLALPME-SFHVURJKSA-N 0 3 289.419 2.996 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Oc2cccc(F)c2)CC1 ZINC000625627103 354076849 /nfs/dbraw/zinc/07/68/49/354076849.db2.gz CGLCLFVADUQAHR-MRXNPFEDSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(CC)c2ccccc2)C1 ZINC000625703280 354090406 /nfs/dbraw/zinc/09/04/06/354090406.db2.gz MMXNIJOCQSSYHM-OAHLLOKOSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000625702522 354090522 /nfs/dbraw/zinc/09/05/22/354090522.db2.gz ZBSCUEGTHAMGTD-LSDHHAIUSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000625704975 354091554 /nfs/dbraw/zinc/09/15/54/354091554.db2.gz WGIOWAAVNOYUGD-OAHLLOKOSA-N 0 3 297.402 2.521 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)CC1(C)COC1 ZINC000625790431 354111932 /nfs/dbraw/zinc/11/19/32/354111932.db2.gz OJRDZFGMUAUZTC-UHFFFAOYSA-N 0 3 263.768 2.660 20 30 CFEDHN COCC#CCN([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626135176 354206193 /nfs/dbraw/zinc/20/61/93/354206193.db2.gz UFFIUGMPUIHRIT-YJBOKZPZSA-N 0 3 287.403 2.661 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000346337477 283027653 /nfs/dbraw/zinc/02/76/53/283027653.db2.gz MMVCNPZSZMZUHA-JHJVBQTASA-N 0 3 266.385 2.588 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H](CC)N(CC)CC ZINC000628316121 354541009 /nfs/dbraw/zinc/54/10/09/354541009.db2.gz JOVXBCNJPKDKAK-ZDUSSCGKSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H]1CCCN1CCC ZINC000628316694 354542116 /nfs/dbraw/zinc/54/21/16/354542116.db2.gz FXTBUMRCHXPUGA-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000628317155 354542980 /nfs/dbraw/zinc/54/29/80/354542980.db2.gz XXYUXPCTBISTRM-HZSPNIEDSA-N 0 3 266.429 2.966 20 30 CFEDHN C=CCC1(NCc2cnc3ccccc3n2)CCOCC1 ZINC000628338849 354552551 /nfs/dbraw/zinc/55/25/51/354552551.db2.gz XLCAUMXKYLGZFU-UHFFFAOYSA-N 0 3 283.375 2.845 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000628405837 354579070 /nfs/dbraw/zinc/57/90/70/354579070.db2.gz VYOQYHAOSCIKAP-CYBMUJFWSA-N 0 3 255.365 2.971 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000628491297 354606764 /nfs/dbraw/zinc/60/67/64/354606764.db2.gz VJCNSGPYUXXSPZ-INIZCTEOSA-N 0 3 298.430 2.859 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCN2C2CCCC2)CCC1 ZINC000628964689 354708865 /nfs/dbraw/zinc/70/88/65/354708865.db2.gz AZSDPVUTRPQOTP-OAHLLOKOSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CC(C)(C)CCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000629586863 354852206 /nfs/dbraw/zinc/85/22/06/354852206.db2.gz CTGBWFWGNWJYMB-UHFFFAOYSA-N 0 3 299.411 2.791 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000349308533 283059381 /nfs/dbraw/zinc/05/93/81/283059381.db2.gz ABLNFWJVPKYXLR-SCDSUCTJSA-N 0 3 260.312 2.931 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000333141798 283058626 /nfs/dbraw/zinc/05/86/26/283058626.db2.gz YXSWJBHYHJRMOQ-FMKPAKJESA-N 0 3 289.423 2.592 20 30 CFEDHN C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000271815546 191344315 /nfs/dbraw/zinc/34/43/15/191344315.db2.gz BKRGJAVOSNAVMY-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(C#N)cc2)o1 ZINC000271827293 191351958 /nfs/dbraw/zinc/35/19/58/191351958.db2.gz DGMVSNHPLXJMRJ-IUODEOHRSA-N 0 3 270.332 2.844 20 30 CFEDHN COc1ccc([C@H](O)CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000271850722 191366005 /nfs/dbraw/zinc/36/60/05/191366005.db2.gz RJWBEFJNWHEVAC-SCLBCKFNSA-N 0 3 296.370 2.951 20 30 CFEDHN C[C@@H](NCCOc1ncccc1F)c1cccc(C#N)c1 ZINC000271868216 191378780 /nfs/dbraw/zinc/37/87/80/191378780.db2.gz LZPFECQMOXSWJA-GFCCVEGCSA-N 0 3 285.322 2.822 20 30 CFEDHN C=CCCCCNCc1cnc(CCOC)s1 ZINC000631113211 355298788 /nfs/dbraw/zinc/29/87/88/355298788.db2.gz FANBOUUISMFJQE-UHFFFAOYSA-N 0 3 254.399 2.778 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCCN(C3CCCC3)CC2)C1 ZINC000631415434 355428591 /nfs/dbraw/zinc/42/85/91/355428591.db2.gz GZBLNXGADSGLDJ-UHFFFAOYSA-N 0 3 276.424 2.820 20 30 CFEDHN N#Cc1cc(F)ccc1N1CC[C@H](N2CCCCC2)C1 ZINC000111036746 283099405 /nfs/dbraw/zinc/09/94/05/283099405.db2.gz UIWCEINDBFPNQE-HNNXBMFYSA-N 0 3 273.355 2.762 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631697268 355551348 /nfs/dbraw/zinc/55/13/48/355551348.db2.gz ZUMOSBHRCSWEDW-CYBMUJFWSA-N 0 3 278.400 2.533 20 30 CFEDHN C=CCC[C@@H](CC)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631697268 355551352 /nfs/dbraw/zinc/55/13/52/355551352.db2.gz ZUMOSBHRCSWEDW-CYBMUJFWSA-N 0 3 278.400 2.533 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2cc(OC)ccc21 ZINC000631630453 355522151 /nfs/dbraw/zinc/52/21/51/355522151.db2.gz DMIURBNZQWUQTN-OAGGEKHMSA-N 0 3 259.349 2.616 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC23CC3)CC1 ZINC000632986832 355787497 /nfs/dbraw/zinc/78/74/97/355787497.db2.gz MIZIOMFPQHRADP-HNNXBMFYSA-N 0 3 291.439 2.659 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CC2CCC2)CC1 ZINC000632987130 355787525 /nfs/dbraw/zinc/78/75/25/355787525.db2.gz ZEDHAVQTRLZWEQ-AWEZNQCLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000633410353 355894585 /nfs/dbraw/zinc/89/45/85/355894585.db2.gz KECBLJCGNZKFAG-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000335422633 283140315 /nfs/dbraw/zinc/14/03/15/283140315.db2.gz GPSYTFLAJMVUDR-SWLSCSKDSA-N 0 3 260.337 2.542 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000253100143 283150309 /nfs/dbraw/zinc/15/03/09/283150309.db2.gz WBWHXDMGEHVVOY-DJIMGWMZSA-N 0 3 288.366 2.823 20 30 CFEDHN C[C@@H]1CCCN(CCNc2nc3c(cc2C#N)CCC3)C1 ZINC000328783699 202054741 /nfs/dbraw/zinc/05/47/41/202054741.db2.gz VJZPVFFSWIPNTA-CYBMUJFWSA-N 0 3 284.407 2.586 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCC(=O)N[C@@H]2C2CC2)c1F ZINC000328915052 202110654 /nfs/dbraw/zinc/11/06/54/202110654.db2.gz QPJJPNJDISVMDK-XJKSGUPXSA-N 0 3 287.338 2.684 20 30 CFEDHN C[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000293788198 198773307 /nfs/dbraw/zinc/77/33/07/198773307.db2.gz MITYQCFNZCWOAM-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294335214 199002800 /nfs/dbraw/zinc/00/28/00/199002800.db2.gz IFCQILTVMWSWAK-OAHLLOKOSA-N 0 3 272.392 2.589 20 30 CFEDHN C=CCc1cc(CN[C@@H]2CCOC2(C)C)cc(OC)c1O ZINC000294725444 199153774 /nfs/dbraw/zinc/15/37/74/199153774.db2.gz FVSHBKQMVFBDFF-OAHLLOKOSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1nc(C)sc1C ZINC000678775436 540479623 /nfs/dbraw/zinc/47/96/23/540479623.db2.gz RYIVILFAHJLQAF-JOYOIKCWSA-N 0 3 254.399 2.595 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc3cnccc3c2)CC1 ZINC000296959808 200046606 /nfs/dbraw/zinc/04/66/06/200046606.db2.gz NTHZQFSTJIRQET-UHFFFAOYSA-N 0 3 293.370 2.519 20 30 CFEDHN C[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000297239368 200123300 /nfs/dbraw/zinc/12/33/00/200123300.db2.gz IIUFIZXQXLUZTA-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN CCC#C[C@@H](C)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000671255229 540609975 /nfs/dbraw/zinc/60/99/75/540609975.db2.gz AUEHLPZSOWPAKV-SJLPKXTDSA-N 0 3 270.420 2.647 20 30 CFEDHN C=CCN1CCC(Nc2ncnc(Cl)c2CC)CC1 ZINC000297310690 200143035 /nfs/dbraw/zinc/14/30/35/200143035.db2.gz ZCCDWCJEMAVDTK-UHFFFAOYSA-N 0 3 280.803 2.755 20 30 CFEDHN CS[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H]1N(C)C ZINC000297467381 200201394 /nfs/dbraw/zinc/20/13/94/200201394.db2.gz KPEZVLUBFMBBSN-UONOGXRCSA-N 0 3 295.839 2.693 20 30 CFEDHN C=CCN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297595143 200237551 /nfs/dbraw/zinc/23/75/51/200237551.db2.gz HTVFUXMBINXARQ-HNNXBMFYSA-N 0 3 272.392 2.620 20 30 CFEDHN C#CCN(C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000297941982 200306555 /nfs/dbraw/zinc/30/65/55/200306555.db2.gz AJHYKFABQLCSCO-UHFFFAOYSA-N 0 3 284.281 2.599 20 30 CFEDHN C#C[C@H](C)NCc1cc(Br)c(O)c(OCC)c1 ZINC000298033189 200320787 /nfs/dbraw/zinc/32/07/87/200320787.db2.gz GFZAZWAOKCXCBB-VIFPVBQESA-N 0 3 298.180 2.665 20 30 CFEDHN CC#CCCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000298046865 200322970 /nfs/dbraw/zinc/32/29/70/200322970.db2.gz DSBVVYHKSWUDIM-CQSZACIVSA-N 0 3 296.208 2.828 20 30 CFEDHN CN(CCCNCc1ccc(C#N)s1)CC(F)(F)F ZINC000176947945 189016290 /nfs/dbraw/zinc/01/62/90/189016290.db2.gz DNNRJRHJJXHYCE-UHFFFAOYSA-N 0 3 291.342 2.594 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)s1)c1cccs1 ZINC000176974071 189018007 /nfs/dbraw/zinc/01/80/07/189018007.db2.gz RNGBDJCNGVQDMG-CYBMUJFWSA-N 0 3 278.402 2.679 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C#N)c1 ZINC000177243792 189038705 /nfs/dbraw/zinc/03/87/05/189038705.db2.gz TWLNJVZXXVXWBO-CVEARBPZSA-N 0 3 298.390 2.649 20 30 CFEDHN C=CCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177386765 189047280 /nfs/dbraw/zinc/04/72/80/189047280.db2.gz YLTMAAOVSIEADG-ZDUSSCGKSA-N 0 3 286.297 2.572 20 30 CFEDHN C=CCC[C@@H](NCCCS(C)(=O)=O)c1ccccc1 ZINC000178759509 189143552 /nfs/dbraw/zinc/14/35/52/189143552.db2.gz UNEABUDFVBILGU-OAHLLOKOSA-N 0 3 281.421 2.718 20 30 CFEDHN Cc1oc(NC(=O)[C@@H](C)N(C)CC(C)C)c(C#N)c1C ZINC000299314389 200675358 /nfs/dbraw/zinc/67/53/58/200675358.db2.gz DMTQDNDUXNQHLA-LLVKDONJSA-N 0 3 277.368 2.683 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(OCC)cc2)C1=O ZINC000684889997 540887961 /nfs/dbraw/zinc/88/79/61/540887961.db2.gz NDYUAZYBEFHLPP-CJNGLKHVSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCC[C@H](NCC(=O)NCC1CC1)c1ccccc1 ZINC000180042838 189234301 /nfs/dbraw/zinc/23/43/01/189234301.db2.gz WNSYNJITXHTSSK-INIZCTEOSA-N 0 3 272.392 2.810 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000661950907 541031103 /nfs/dbraw/zinc/03/11/03/541031103.db2.gz HNKGODSOLQNBDB-OAHLLOKOSA-N 0 3 281.444 2.859 20 30 CFEDHN CC1([C@H]2CCCN(Cc3cccc(C#N)c3)C2)OCCO1 ZINC000183825301 189368583 /nfs/dbraw/zinc/36/85/83/189368583.db2.gz PEQRQCQJMFQSME-INIZCTEOSA-N 0 3 286.375 2.533 20 30 CFEDHN C=CCC[C@@H](NCCCn1cncn1)c1ccco1 ZINC000671756487 541092579 /nfs/dbraw/zinc/09/25/79/541092579.db2.gz DVLDIYKYJZQQIM-CYBMUJFWSA-N 0 3 260.341 2.558 20 30 CFEDHN C[C@H]1CCCN(CCNc2nc3c(cc2C#N)CCCC3)C1 ZINC000301881556 201248220 /nfs/dbraw/zinc/24/82/20/201248220.db2.gz KGDVYHMBYKSPCI-AWEZNQCLSA-N 0 3 298.434 2.976 20 30 CFEDHN CCc1ccc([C@@H](CNc2ccc(C#N)nn2)N(C)C)cc1 ZINC000301929507 201267191 /nfs/dbraw/zinc/26/71/91/201267191.db2.gz NUJMAVXBDFOXPY-MRXNPFEDSA-N 0 3 295.390 2.625 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NCCN1CCC[C@H](C)C1 ZINC000302064789 201327786 /nfs/dbraw/zinc/32/77/86/201327786.db2.gz VMMMTLRLBVIEBO-ZDUSSCGKSA-N 0 3 285.391 2.905 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(C)(CO)CC1 ZINC000187725206 189474681 /nfs/dbraw/zinc/47/46/81/189474681.db2.gz BHCAZSPIBVGQNE-ZDUSSCGKSA-N 0 3 258.365 2.714 20 30 CFEDHN C[C@@H](NCCC1CC(O)C1)c1ccc(C#N)cc1F ZINC000432426392 240003895 /nfs/dbraw/zinc/00/38/95/240003895.db2.gz ZRKPTIPYKUFVIW-XSRFYTQQSA-N 0 3 262.328 2.509 20 30 CFEDHN C=C[C@@H](C)Nc1nc(NCC)nc(NC(C)(C)C)n1 ZINC000672235094 541423358 /nfs/dbraw/zinc/42/33/58/541423358.db2.gz HTVKHEVGSOCCBZ-SECBINFHSA-N 0 3 264.377 2.500 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275809111 193135705 /nfs/dbraw/zinc/13/57/05/193135705.db2.gz FVMPEXBXURJXTQ-WKILWMFISA-N 0 3 277.795 2.927 20 30 CFEDHN CCOC(=O)CCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000442689025 240983705 /nfs/dbraw/zinc/98/37/05/240983705.db2.gz GALAVSVTXWWQHT-LBPRGKRZSA-N 0 3 260.337 2.504 20 30 CFEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000443637085 241079056 /nfs/dbraw/zinc/07/90/56/241079056.db2.gz FHZXNHBQTAKFSQ-ZIAGYGMSSA-N 0 3 285.391 2.865 20 30 CFEDHN Cc1cc(CN[C@H](C)COCC(F)(F)F)ccc1C#N ZINC000443964086 241098183 /nfs/dbraw/zinc/09/81/83/241098183.db2.gz IULTWMCZBDALBU-LLVKDONJSA-N 0 3 286.297 2.924 20 30 CFEDHN Cc1cc(CNCc2ccc(OCCO)cc2)ccc1C#N ZINC000443989549 241102925 /nfs/dbraw/zinc/10/29/25/241102925.db2.gz LYYWGQWQXUHWEQ-UHFFFAOYSA-N 0 3 296.370 2.528 20 30 CFEDHN Cc1cc(CNC[C@H](O)CCc2ccccc2)ccc1C#N ZINC000444000576 241106366 /nfs/dbraw/zinc/10/63/66/241106366.db2.gz HORSZYNBHWLRPE-LJQANCHMSA-N 0 3 294.398 2.950 20 30 CFEDHN CCC1(CC)CCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000446715835 241315026 /nfs/dbraw/zinc/31/50/26/241315026.db2.gz VROIGJPTNOESLS-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000449738165 242126352 /nfs/dbraw/zinc/12/63/52/242126352.db2.gz ZKAKKYGFIUZVSQ-HFBAOOFYSA-N 0 3 288.366 2.991 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000449773830 242151650 /nfs/dbraw/zinc/15/16/50/242151650.db2.gz JBFWTKVENHQRJY-CQSZACIVSA-N 0 3 288.391 2.815 20 30 CFEDHN C=CCC[C@@H](O)CN1CCCO[C@H](c2ccccc2)C1 ZINC000675496472 541661797 /nfs/dbraw/zinc/66/17/97/541661797.db2.gz XVIBTABTYSJXIM-SJORKVTESA-N 0 3 275.392 2.777 20 30 CFEDHN C=CCCCC(=O)N(C1CC1)C1CCN(CC)CC1 ZINC000363623740 260953217 /nfs/dbraw/zinc/95/32/17/260953217.db2.gz QTGAWZVXVAZHDI-UHFFFAOYSA-N 0 3 264.413 2.818 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)[C@@H]1C ZINC000347230799 284066152 /nfs/dbraw/zinc/06/61/52/284066152.db2.gz XVLICNYFCJOPHF-YWPYICTPSA-N 0 3 272.348 2.503 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000276084086 193209614 /nfs/dbraw/zinc/20/96/14/193209614.db2.gz BEAYMMQSCNKAAU-LBPRGKRZSA-N 0 3 280.799 2.853 20 30 CFEDHN C=CCN(CCc1ccnn1C)Cc1ccccc1 ZINC000276292084 193274264 /nfs/dbraw/zinc/27/42/64/193274264.db2.gz IANFHFKYOURVNB-UHFFFAOYSA-N 0 3 255.365 2.651 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000276346003 193294422 /nfs/dbraw/zinc/29/44/22/193294422.db2.gz CSNASTMKWWUYLZ-ZIAGYGMSSA-N 0 3 260.381 2.760 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000276408702 193319413 /nfs/dbraw/zinc/31/94/13/193319413.db2.gz LMJMFTBWBABQOL-CYBMUJFWSA-N 0 3 278.371 2.853 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000276420209 193323804 /nfs/dbraw/zinc/32/38/04/193323804.db2.gz MNECBXBRXXCMIX-GFCCVEGCSA-N 0 3 280.799 2.853 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000276494259 193354943 /nfs/dbraw/zinc/35/49/43/193354943.db2.gz VHMOORWSOBFQQX-CYBMUJFWSA-N 0 3 278.371 2.681 20 30 CFEDHN C=CCCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000276503212 193359952 /nfs/dbraw/zinc/35/99/52/193359952.db2.gz WQCMGXWXSRHCCR-CYBMUJFWSA-N 0 3 284.197 2.990 20 30 CFEDHN C=CCCN(C)C[C@H](O)c1ccccc1Br ZINC000276458329 193339990 /nfs/dbraw/zinc/33/99/90/193339990.db2.gz QKYQJGYYMCZDOA-ZDUSSCGKSA-N 0 3 284.197 2.990 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000677047509 541813728 /nfs/dbraw/zinc/81/37/28/541813728.db2.gz CTHYADDQBXNEQS-MRXNPFEDSA-N 0 3 279.355 2.606 20 30 CFEDHN Cc1cc(CN2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1C#N ZINC000459742318 245298606 /nfs/dbraw/zinc/29/86/06/245298606.db2.gz YVOWZFDGUYQTGA-SJORKVTESA-N 0 3 282.387 2.868 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(F)c(C#N)c2)C12CCC2 ZINC000459764394 245312048 /nfs/dbraw/zinc/31/20/48/245312048.db2.gz OKUDKIOPJYQKEL-GJZGRUSLSA-N 0 3 274.339 2.745 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000677478176 541864436 /nfs/dbraw/zinc/86/44/36/541864436.db2.gz PYGBCMICWGEEEE-OWCLPIDISA-N 0 3 278.440 2.805 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(OCc2ccccc2)CC1 ZINC000677475581 541864712 /nfs/dbraw/zinc/86/47/12/541864712.db2.gz CUMJISUNUSOCFI-KRWDZBQOSA-N 0 3 275.392 2.605 20 30 CFEDHN Cc1nnc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[n-]1 ZINC000329216918 227358045 /nfs/dbraw/zinc/35/80/45/227358045.db2.gz PHBLBZKDPNJBAG-GXFFZTMASA-N 0 3 291.399 2.538 20 30 CFEDHN Cc1nnc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[n-]1 ZINC000329216918 227358051 /nfs/dbraw/zinc/35/80/51/227358051.db2.gz PHBLBZKDPNJBAG-GXFFZTMASA-N 0 3 291.399 2.538 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCCCC1)CC1CCCCC1 ZINC000030971910 372401667 /nfs/dbraw/zinc/40/16/67/372401667.db2.gz FFMXMXOMLCMVRQ-UHFFFAOYSA-N 0 3 291.439 2.841 20 30 CFEDHN C=CCOc1ccc(CNCCC(=O)N[C@@H](C)CC)cc1 ZINC000037997146 372755884 /nfs/dbraw/zinc/75/58/84/372755884.db2.gz GISCFXJSGPQGPG-AWEZNQCLSA-N 0 3 290.407 2.646 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1F ZINC000451698236 383685030 /nfs/dbraw/zinc/68/50/30/383685030.db2.gz JAJZXZMMJCRQKV-BMFZPTHFSA-N 0 3 288.366 2.680 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1F ZINC000451698238 383685240 /nfs/dbraw/zinc/68/52/40/383685240.db2.gz JAJZXZMMJCRQKV-KBMXLJTQSA-N 0 3 288.366 2.680 20 30 CFEDHN CC[C@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000263769360 383686679 /nfs/dbraw/zinc/68/66/79/383686679.db2.gz DZRMVFOWVJPNMV-MRXNPFEDSA-N 0 3 285.391 2.704 20 30 CFEDHN CC(C)C[C@H](CN(C)C)NC(=O)C1(C#N)CCCCC1 ZINC000044427688 373005668 /nfs/dbraw/zinc/00/56/68/373005668.db2.gz LBAHXVGZYOFUCU-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc(Br)c1 ZINC000044824288 373010439 /nfs/dbraw/zinc/01/04/39/373010439.db2.gz BTNLXRIZSZBRNS-VIFPVBQESA-N 0 3 281.153 2.567 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)ccc1F ZINC000451701401 383686903 /nfs/dbraw/zinc/68/69/03/383686903.db2.gz ZXFNEUFIBRVKBV-YCPHGPKFSA-N 0 3 288.366 2.680 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](O)COc1ccccc1C ZINC000046342184 373049809 /nfs/dbraw/zinc/04/98/09/373049809.db2.gz QEURYTGNQDIXEM-OAHLLOKOSA-N 0 3 263.381 2.633 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)C2(C#N)CCCC2)c1 ZINC000047453685 373094782 /nfs/dbraw/zinc/09/47/82/373094782.db2.gz ZRVZNOKMRHVMMT-UHFFFAOYSA-N 0 3 271.364 2.771 20 30 CFEDHN C[C@@H](c1cccs1)N(C)CCC(=O)N(C)CCC#N ZINC000049726767 373316595 /nfs/dbraw/zinc/31/65/95/373316595.db2.gz LRRXCRYRQHEZQQ-LBPRGKRZSA-N 0 3 279.409 2.503 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1ccccc1F ZINC000051766977 373407930 /nfs/dbraw/zinc/40/79/30/373407930.db2.gz HEWKLSIVQMWIBG-UHFFFAOYSA-N 0 3 262.328 2.828 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000052725718 373451235 /nfs/dbraw/zinc/45/12/35/373451235.db2.gz ZXTDAZLGNWOIKF-UHFFFAOYSA-N 0 3 276.355 2.596 20 30 CFEDHN COc1ccc(OCCCN2CCC(C#N)CC2)cc1 ZINC000057906653 373619073 /nfs/dbraw/zinc/61/90/73/373619073.db2.gz CJAQBAQQIDQQEE-UHFFFAOYSA-N 0 3 274.364 2.700 20 30 CFEDHN N#Cc1cccc(CN2CCSC[C@@H]2C2CC2)c1 ZINC000334678389 220234283 /nfs/dbraw/zinc/23/42/83/220234283.db2.gz AJTWCWVESSDGEU-OAHLLOKOSA-N 0 3 258.390 2.886 20 30 CFEDHN CCN(CCn1cccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000064142014 373819793 /nfs/dbraw/zinc/81/97/93/373819793.db2.gz MJNSRSYXVWWVDD-CQSZACIVSA-N 0 3 268.364 2.838 20 30 CFEDHN COC[C@H](C)NCc1ccc(OC)c(OCCCC#N)c1 ZINC000064613267 373831439 /nfs/dbraw/zinc/83/14/39/373831439.db2.gz OLELYMDBQWWURJ-ZDUSSCGKSA-N 0 3 292.379 2.502 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000431755880 383694972 /nfs/dbraw/zinc/69/49/72/383694972.db2.gz FAGCCIBFAXETFU-GOEBONIOSA-N 0 3 287.407 2.688 20 30 CFEDHN C[C@H](CO)NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000067223819 373973513 /nfs/dbraw/zinc/97/35/13/373973513.db2.gz WFCNGPUNLNRJRB-CQSZACIVSA-N 0 3 296.370 2.608 20 30 CFEDHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)CCCC#N ZINC000067443850 373979445 /nfs/dbraw/zinc/97/94/45/373979445.db2.gz YAPHFRBLMFONQY-CYBMUJFWSA-N 0 3 269.352 2.564 20 30 CFEDHN C=CCSCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431807667 383698344 /nfs/dbraw/zinc/69/83/44/383698344.db2.gz HRXGYWCEMVUPSA-OAHLLOKOSA-N 0 3 296.480 2.819 20 30 CFEDHN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1ccccc1 ZINC000071817767 374227634 /nfs/dbraw/zinc/22/76/34/374227634.db2.gz YCNJDECIPYDNGN-HNNXBMFYSA-N 0 3 266.348 2.668 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000073308074 374333728 /nfs/dbraw/zinc/33/37/28/374333728.db2.gz IUARHUPVEDXDLY-UHFFFAOYSA-N 0 3 288.391 2.922 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@@H](CC(C)C)C2)CC1 ZINC000074132513 374408200 /nfs/dbraw/zinc/40/82/00/374408200.db2.gz JFBZMWRBBPCMBZ-HNNXBMFYSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[C@H](SCC)C1 ZINC000076068863 374528486 /nfs/dbraw/zinc/52/84/86/374528486.db2.gz LQNMAUCPDODXSN-GJZGRUSLSA-N 0 3 296.480 2.793 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[C@@H](SCC)C1 ZINC000076068860 374528535 /nfs/dbraw/zinc/52/85/35/374528535.db2.gz LQNMAUCPDODXSN-LSDHHAIUSA-N 0 3 296.480 2.793 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCCc1ccccc1C ZINC000076735981 374556758 /nfs/dbraw/zinc/55/67/58/374556758.db2.gz BVQMMQYEVPWANH-MRXNPFEDSA-N 0 3 288.435 2.940 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(F)c2C)CC1 ZINC000081110346 374685304 /nfs/dbraw/zinc/68/53/04/374685304.db2.gz QQFGRYWGKRYYRG-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN CCOC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000451774430 383703459 /nfs/dbraw/zinc/70/34/59/383703459.db2.gz OEEKUBSYIIMKMP-MAZHCROVSA-N 0 3 286.375 2.941 20 30 CFEDHN COc1ccc(CNCC2(O)CCCCCC2)cc1C#N ZINC000087824546 374831820 /nfs/dbraw/zinc/83/18/20/374831820.db2.gz MABVBIPTEQNMAN-UHFFFAOYSA-N 0 3 288.391 2.742 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1ccc(C#N)o1)C(C)C ZINC000084954541 374792933 /nfs/dbraw/zinc/79/29/33/374792933.db2.gz ZIEAURPDFIEOSA-QGZVFWFLSA-N 0 3 287.407 2.939 20 30 CFEDHN CC(C)O[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000574570923 335030246 /nfs/dbraw/zinc/03/02/46/335030246.db2.gz WUMSRRUEHSEKRW-MRXNPFEDSA-N 0 3 258.365 2.752 20 30 CFEDHN CC(C)(CCC#N)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000092076305 375087322 /nfs/dbraw/zinc/08/73/22/375087322.db2.gz PCHQASMPLYONTI-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN C=CCOc1ccccc1CN(CC)CCC(=O)OC ZINC000092380099 375104304 /nfs/dbraw/zinc/10/43/04/375104304.db2.gz HYTFZXWXXFRSFY-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H](OC)C1 ZINC000091772510 375061820 /nfs/dbraw/zinc/06/18/20/375061820.db2.gz YYFBXEXMJGHLNA-OAHLLOKOSA-N 0 3 261.365 2.862 20 30 CFEDHN CN1CCN(Cc2ccc(C#N)o2)C2(CCCCC2)C1 ZINC000093871995 375326637 /nfs/dbraw/zinc/32/66/37/375326637.db2.gz GLJCREAVVHPEKH-UHFFFAOYSA-N 0 3 273.380 2.602 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591779 375367213 /nfs/dbraw/zinc/36/72/13/375367213.db2.gz JGFAQYOTJCWJSQ-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN CN(C)CCSCCCOc1cccc(C#N)c1 ZINC000095020374 375404502 /nfs/dbraw/zinc/40/45/02/375404502.db2.gz DKKZJPKLVUHZSK-UHFFFAOYSA-N 0 3 264.394 2.622 20 30 CFEDHN CCN(CCCCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109818397 375824584 /nfs/dbraw/zinc/82/45/84/375824584.db2.gz PPQDNXIBQSHNAP-INIZCTEOSA-N 0 3 285.391 2.808 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1C ZINC000678741960 542063708 /nfs/dbraw/zinc/06/37/08/542063708.db2.gz HSTWLSZYVUGCSJ-TZMCWYRMSA-N 0 3 279.380 2.600 20 30 CFEDHN COCC#CCN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000678745276 542063848 /nfs/dbraw/zinc/06/38/48/542063848.db2.gz PMYBQZLFCRYIHW-AWEZNQCLSA-N 0 3 261.365 2.774 20 30 CFEDHN COCC#CCN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678743348 542064099 /nfs/dbraw/zinc/06/40/99/542064099.db2.gz FNGQTEAIDAHKDW-CQSZACIVSA-N 0 3 291.391 2.783 20 30 CFEDHN CC[C@@H](C)CN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000111255264 375836466 /nfs/dbraw/zinc/83/64/66/375836466.db2.gz URHAWLJHMSTWHC-OAHLLOKOSA-N 0 3 287.407 2.911 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1cccc(F)c1C#N ZINC000112011965 375877447 /nfs/dbraw/zinc/87/74/47/375877447.db2.gz CGXRCZGBAOUVHR-GFCCVEGCSA-N 0 3 261.344 2.984 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000678798043 542071066 /nfs/dbraw/zinc/07/10/66/542071066.db2.gz GSFZURQRAPXTMW-UONOGXRCSA-N 0 3 268.364 2.720 20 30 CFEDHN C=CC[C@@H](C)N[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000116907916 376213328 /nfs/dbraw/zinc/21/33/28/376213328.db2.gz UTBGPBAGSOBYDZ-ABAIWWIYSA-N 0 3 276.355 2.700 20 30 CFEDHN C=CCCCN1CCN(c2nc(C)cs2)CC1 ZINC000117872962 376261794 /nfs/dbraw/zinc/26/17/94/376261794.db2.gz VRYKYYHEAVSKLQ-UHFFFAOYSA-N 0 3 251.399 2.540 20 30 CFEDHN CC(C)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118392632 376291478 /nfs/dbraw/zinc/29/14/78/376291478.db2.gz DZSLLGOABXMYLH-AWEZNQCLSA-N 0 3 257.381 2.645 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000118399066 376292607 /nfs/dbraw/zinc/29/26/07/376292607.db2.gz DUSIEPURKUREDX-HOCLYGCPSA-N 0 3 295.390 2.623 20 30 CFEDHN C=C(C)CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000119616265 376444834 /nfs/dbraw/zinc/44/48/34/376444834.db2.gz UDGGTQSLJODIGK-UHFFFAOYSA-N 0 3 285.347 2.514 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119931623 376508311 /nfs/dbraw/zinc/50/83/11/376508311.db2.gz PWIYKMXVTMGKQO-BMFZPTHFSA-N 0 3 288.366 2.943 20 30 CFEDHN CN(CCC1CCOCC1)Cc1ccc(C#N)cc1F ZINC000120756484 376683288 /nfs/dbraw/zinc/68/32/88/376683288.db2.gz IXCWRAASCKSKKQ-UHFFFAOYSA-N 0 3 276.355 2.946 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000121266050 376794082 /nfs/dbraw/zinc/79/40/82/376794082.db2.gz GDLJECUIPXEQJC-ZBFHGGJFSA-N 0 3 286.375 2.568 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1ccc(/C=C/C)cc1OC ZINC000121317480 376803510 /nfs/dbraw/zinc/80/35/10/376803510.db2.gz ZZOAMIRPLRBQIX-KEDPEKRHSA-N 0 3 291.391 2.586 20 30 CFEDHN CCCN(CC#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000264248995 383715607 /nfs/dbraw/zinc/71/56/07/383715607.db2.gz MXBSEGRLDJTMQL-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000121417181 376828104 /nfs/dbraw/zinc/82/81/04/376828104.db2.gz UJBSHDZCADGSBB-IMJJTQAJSA-N 0 3 288.366 2.943 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccoc1 ZINC000122189760 376924701 /nfs/dbraw/zinc/92/47/01/376924701.db2.gz ISSHOGCKXFJUGM-LLVKDONJSA-N 0 3 265.272 2.656 20 30 CFEDHN C=C[C@@H](C)NCc1ccc(OC)c(OC(F)F)c1 ZINC000123190765 376949356 /nfs/dbraw/zinc/94/93/56/376949356.db2.gz DOMMBHZIDDDDQH-SECBINFHSA-N 0 3 257.280 2.961 20 30 CFEDHN C=C(C)COCCNCc1cnn(Cc2ccccc2)c1 ZINC000125768216 377192293 /nfs/dbraw/zinc/19/22/93/377192293.db2.gz HWXLHCPHKOZBRV-UHFFFAOYSA-N 0 3 285.391 2.614 20 30 CFEDHN N#CCCCN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125596020 377174537 /nfs/dbraw/zinc/17/45/37/377174537.db2.gz GRNDOPBLEVBUGJ-UHFFFAOYSA-N 0 3 286.301 2.912 20 30 CFEDHN CCN(C(=O)CN(C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000126618747 377238614 /nfs/dbraw/zinc/23/86/14/377238614.db2.gz UOTCKJUGMHXYOF-AWEZNQCLSA-N 0 3 287.407 2.808 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000128348525 377332287 /nfs/dbraw/zinc/33/22/87/377332287.db2.gz FPVFWXJIWLNPED-CQSZACIVSA-N 0 3 254.418 2.777 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000127358323 377276648 /nfs/dbraw/zinc/27/66/48/377276648.db2.gz QUCRSVPYHNNLHT-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN N#CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000127729692 377300447 /nfs/dbraw/zinc/30/04/47/377300447.db2.gz LWZCYFVXUZAZEM-UHFFFAOYSA-N 0 3 297.324 2.737 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCC1CCOCC1 ZINC000129671527 377458463 /nfs/dbraw/zinc/45/84/63/377458463.db2.gz UEIPCXQJZCKMDS-UHFFFAOYSA-N 0 3 287.403 2.947 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)cc2C)CC1 ZINC000129708396 377465606 /nfs/dbraw/zinc/46/56/06/377465606.db2.gz WOIDSILHYAPJEW-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130086523 377508653 /nfs/dbraw/zinc/50/86/53/377508653.db2.gz PRFVUPOPFYUFCL-MRXNPFEDSA-N 0 3 290.363 2.886 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@H]1CCCCN1CC ZINC000432092198 383721594 /nfs/dbraw/zinc/72/15/94/383721594.db2.gz HLBYUXDZWBWLDA-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000130308238 377537299 /nfs/dbraw/zinc/53/72/99/377537299.db2.gz CSAAQFYOVXMKJO-DLBZAZTESA-N 0 3 275.367 2.803 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)[C@@H]1CCSC1 ZINC000130400193 377551491 /nfs/dbraw/zinc/55/14/91/377551491.db2.gz QAYKSWUDJVBDTR-CYBMUJFWSA-N 0 3 262.378 2.504 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000130496578 377566470 /nfs/dbraw/zinc/56/64/70/377566470.db2.gz HKYTZDFVYQITEJ-ZNMIVQPWSA-N 0 3 299.418 2.778 20 30 CFEDHN C=CCOCCNCc1ccc(OC(F)F)c(F)c1 ZINC000679486384 542196609 /nfs/dbraw/zinc/19/66/09/542196609.db2.gz JWSDDQOZGTYGFD-UHFFFAOYSA-N 0 3 275.270 2.719 20 30 CFEDHN C=CCOCCNCc1cccc(OC(F)F)c1 ZINC000679486735 542197541 /nfs/dbraw/zinc/19/75/41/542197541.db2.gz YEIJQXILBKVSID-UHFFFAOYSA-N 0 3 257.280 2.580 20 30 CFEDHN C=CCC[C@H](O)CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679539414 542204694 /nfs/dbraw/zinc/20/46/94/542204694.db2.gz AKROAPOITSHJRR-TUAOUCFPSA-N 0 3 265.319 2.976 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)CC1CCN(C)CC1 ZINC000130786828 377610713 /nfs/dbraw/zinc/61/07/13/377610713.db2.gz HTTRNXLDIIEEGU-UHFFFAOYSA-N 0 3 264.413 2.555 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2nc(CC)sc21 ZINC000679576197 542210810 /nfs/dbraw/zinc/21/08/10/542210810.db2.gz KOIHVNWKLJYCBP-NSHDSACASA-N 0 3 266.410 2.875 20 30 CFEDHN CC(C)C1CCC(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000130865501 377622121 /nfs/dbraw/zinc/62/21/21/377622121.db2.gz NKQWJAUINNEVLC-BDVYOWHSSA-N 0 3 299.418 2.889 20 30 CFEDHN CCN(CC)[C@H]1CCN(c2cc(C#N)ccc2C(C)=O)C1 ZINC000131288996 377689142 /nfs/dbraw/zinc/68/91/42/377689142.db2.gz PIVGVXXFWPQHGZ-HNNXBMFYSA-N 0 3 285.391 2.681 20 30 CFEDHN C=CCCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000132408760 377835911 /nfs/dbraw/zinc/83/59/11/377835911.db2.gz DBQBYJWQKTWXDE-UHFFFAOYSA-N 0 3 274.412 2.607 20 30 CFEDHN N#CC1(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)CCC1 ZINC000134895334 378058013 /nfs/dbraw/zinc/05/80/13/378058013.db2.gz OTCCJLRFLOLURB-AWEZNQCLSA-N 0 3 289.423 2.594 20 30 CFEDHN C[C@@H](CCc1ccc(O)cc1)NCc1ccc(C#N)o1 ZINC000135173242 378095347 /nfs/dbraw/zinc/09/53/47/378095347.db2.gz HZECEFIWYHFMLW-LBPRGKRZSA-N 0 3 270.332 2.968 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000150847654 378275890 /nfs/dbraw/zinc/27/58/90/378275890.db2.gz MEIIEZTYLLGOJY-ZFWWWQNUSA-N 0 3 264.413 2.696 20 30 CFEDHN C[C@H]1C[C@H](NCc2ccc(C#N)o2)CN1Cc1ccccc1 ZINC000151321434 378317358 /nfs/dbraw/zinc/31/73/58/378317358.db2.gz JJIDAFDBOIGOOY-HOCLYGCPSA-N 0 3 295.386 2.904 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000329123815 378448532 /nfs/dbraw/zinc/44/85/32/378448532.db2.gz RXZMXLFFYRASBO-DDFXLWFNSA-N 0 3 293.411 2.713 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)[C@H]1CCCCC(=O)N1 ZINC000329186045 378448947 /nfs/dbraw/zinc/44/89/47/378448947.db2.gz GJXRUEGOQFPXTO-QWHCGFSZSA-N 0 3 281.400 2.716 20 30 CFEDHN C[C@H](NC(=O)CC1(O)CCCCC1)C1=CCN(C)CC1 ZINC000329302291 378451622 /nfs/dbraw/zinc/45/16/22/378451622.db2.gz NINRWNRCAXCLJI-ZDUSSCGKSA-N 0 3 280.412 2.679 20 30 CFEDHN C#CCSCCNCc1c[nH]nc1-c1cccs1 ZINC000152919340 378459472 /nfs/dbraw/zinc/45/94/72/378459472.db2.gz QCPSQEBNYJNDRB-UHFFFAOYSA-N 0 3 277.418 2.594 20 30 CFEDHN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329476582 378462626 /nfs/dbraw/zinc/46/26/26/378462626.db2.gz UEJKMXIVIWSSIZ-KMFMINBZSA-N 0 3 294.439 2.901 20 30 CFEDHN CC1(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCCC1 ZINC000329614374 378469625 /nfs/dbraw/zinc/46/96/25/378469625.db2.gz PEHZEGURHXUZOV-ZDUSSCGKSA-N 0 3 290.411 2.672 20 30 CFEDHN Cc1nc[nH]c1CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000328782015 378423593 /nfs/dbraw/zinc/42/35/93/378423593.db2.gz MZMATAYJYMDBCF-HNNXBMFYSA-N 0 3 290.411 2.972 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)C1 ZINC000328826379 378429361 /nfs/dbraw/zinc/42/93/61/378429361.db2.gz JHMYBXPROSEODM-BNOWGMLFSA-N 0 3 285.395 2.554 20 30 CFEDHN C[C@@H](C(=O)NCc1noc(C2CC2)n1)N1CCCCCC1 ZINC000328921014 378440593 /nfs/dbraw/zinc/44/05/93/378440593.db2.gz BIVFMNODFWPFMU-NSHDSACASA-N 0 3 292.383 2.668 20 30 CFEDHN C[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3)CN1C1CC1 ZINC000329705758 378484042 /nfs/dbraw/zinc/48/40/42/378484042.db2.gz JOBKQQVJDOTVFA-DOMZBBRYSA-N 0 3 296.418 2.869 20 30 CFEDHN C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)C1=CCN(C)CC1 ZINC000329821618 378501373 /nfs/dbraw/zinc/50/13/73/378501373.db2.gz GUHMCJPIPDETRN-GXTWGEPZSA-N 0 3 293.411 2.883 20 30 CFEDHN CC(C)N1CCC(NC(=O)c2snnc2C2CC2)CC1 ZINC000329817498 378501388 /nfs/dbraw/zinc/50/13/88/378501388.db2.gz FUOIFZVQAPEIAX-UHFFFAOYSA-N 0 3 294.424 2.593 20 30 CFEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@@H]1CC[C@@H](C#N)C1 ZINC000330460062 378561859 /nfs/dbraw/zinc/56/18/59/378561859.db2.gz QOPXBWCIVDKJKN-DGCLKSJQSA-N 0 3 260.385 2.831 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)C(C)(C)C#N)c1 ZINC000330486318 378568285 /nfs/dbraw/zinc/56/82/85/378568285.db2.gz CIUSMTOCWPIHCE-UHFFFAOYSA-N 0 3 259.353 2.545 20 30 CFEDHN CCN1CCC[C@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC000330507431 378572695 /nfs/dbraw/zinc/57/26/95/378572695.db2.gz MXFMUQQBJWEXMK-AWEZNQCLSA-N 0 3 291.395 2.658 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330543750 378582204 /nfs/dbraw/zinc/58/22/04/378582204.db2.gz BCSIHWNYCIESFJ-XHSDSOJGSA-N 0 3 294.439 2.568 20 30 CFEDHN C[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@H]1C ZINC000330265175 378531158 /nfs/dbraw/zinc/53/11/58/378531158.db2.gz YWVYVWPXHIFMEW-RQJABVFESA-N 0 3 290.411 2.526 20 30 CFEDHN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)[C@H]1C ZINC000330265175 378531164 /nfs/dbraw/zinc/53/11/64/378531164.db2.gz YWVYVWPXHIFMEW-RQJABVFESA-N 0 3 290.411 2.526 20 30 CFEDHN CC(C)(O)C(C)(C)NCc1ccc(Cl)cc1C#N ZINC000331108394 378634618 /nfs/dbraw/zinc/63/46/18/378634618.db2.gz RWBIJSJFTUMOEV-UHFFFAOYSA-N 0 3 266.772 2.851 20 30 CFEDHN COCCN(CC#Cc1ccc(F)cc1)CC(C)C ZINC000156145703 378637547 /nfs/dbraw/zinc/63/75/47/378637547.db2.gz XCGYKEPCFYQKAO-UHFFFAOYSA-N 0 3 263.356 2.782 20 30 CFEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1C(C)C ZINC000330640830 378593140 /nfs/dbraw/zinc/59/31/40/378593140.db2.gz WWERCMRQGCJNRO-CYBMUJFWSA-N 0 3 297.362 2.669 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)nsc1NC ZINC000330666873 378596691 /nfs/dbraw/zinc/59/66/91/378596691.db2.gz IMTMYSLECBGJJJ-NSHDSACASA-N 0 3 296.440 2.672 20 30 CFEDHN CCc1ccc([O-])c(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000330771016 378597392 /nfs/dbraw/zinc/59/73/92/378597392.db2.gz BVGVYCHKURUVLS-UHFFFAOYSA-N 0 3 290.407 2.991 20 30 CFEDHN CC(=O)N[C@@H](C)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000331264735 378659404 /nfs/dbraw/zinc/65/94/04/378659404.db2.gz GPSXITOGKWNTMS-KBPBESRZSA-N 0 3 299.418 2.856 20 30 CFEDHN CN(C)CCSCC#Cc1ccc(Cl)cc1 ZINC000157709360 378660044 /nfs/dbraw/zinc/66/00/44/378660044.db2.gz UUODWZIIYYOMES-UHFFFAOYSA-N 0 3 253.798 2.986 20 30 CFEDHN CCN1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000158088917 378664166 /nfs/dbraw/zinc/66/41/66/378664166.db2.gz XFUUXBYUBMVSLD-UHFFFAOYSA-N 0 3 276.811 2.719 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331291935 378664570 /nfs/dbraw/zinc/66/45/70/378664570.db2.gz PSGOHKFKPUUPJX-ZENOOKHLSA-N 0 3 288.391 2.548 20 30 CFEDHN CCOC(C)(C)CNCc1ccc(C#N)cc1F ZINC000159354097 378703997 /nfs/dbraw/zinc/70/39/97/378703997.db2.gz DHQHGECHEBRBLO-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN Cc1noc([C@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000332107917 378727168 /nfs/dbraw/zinc/72/71/68/378727168.db2.gz ZZJIPRHJDZEEOS-ABAIWWIYSA-N 0 3 282.347 2.800 20 30 CFEDHN COc1cccc(CCCN2CCC(C#N)CC2)c1 ZINC000159837601 378734460 /nfs/dbraw/zinc/73/44/60/378734460.db2.gz JMOBWOGFHAFDPI-UHFFFAOYSA-N 0 3 258.365 2.863 20 30 CFEDHN COc1cc(CN[C@H]2C[C@](C)(OC)C2(C)C)ccc1C#N ZINC000332499415 378771227 /nfs/dbraw/zinc/77/12/27/378771227.db2.gz ZXBHXIGMNVMLQR-RDJZCZTQSA-N 0 3 288.391 2.860 20 30 CFEDHN COCCSCCCN(C)Cc1cccc(C#N)c1 ZINC000278480810 194004025 /nfs/dbraw/zinc/00/40/25/194004025.db2.gz HSRWGUXNMZOCTR-UHFFFAOYSA-N 0 3 278.421 2.760 20 30 CFEDHN CC(C)N(CCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000161563363 378855830 /nfs/dbraw/zinc/85/58/30/378855830.db2.gz XMSSXEOCPWXZDV-UHFFFAOYSA-N 0 3 268.364 2.665 20 30 CFEDHN CC(C)[C@H](CCO)NCC#Cc1ccc(Cl)cc1 ZINC000161895121 378878753 /nfs/dbraw/zinc/87/87/53/378878753.db2.gz CXZNLEGYLCXZMJ-HNNXBMFYSA-N 0 3 265.784 2.688 20 30 CFEDHN C[C@H](NC(=O)C1CCN(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000278633030 194077122 /nfs/dbraw/zinc/07/71/22/194077122.db2.gz YHCQXHOCCODVGN-ZDUSSCGKSA-N 0 3 297.402 2.610 20 30 CFEDHN C=CCOc1cccc(CN[C@@H](COC)[C@@H]2CCCO2)c1 ZINC000278675494 194098227 /nfs/dbraw/zinc/09/82/27/194098227.db2.gz ONTOZOQUPPBVMC-IRXDYDNUSA-N 0 3 291.391 2.535 20 30 CFEDHN C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000334368501 379171742 /nfs/dbraw/zinc/17/17/42/379171742.db2.gz SMLUXZSFVOEKJM-OLZOCXBDSA-N 0 3 268.364 2.826 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000171725718 379386593 /nfs/dbraw/zinc/38/65/93/379386593.db2.gz QWCLBPKNPOZHQO-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000171727908 379387636 /nfs/dbraw/zinc/38/76/36/379387636.db2.gz ZYLQTQJTIMHQQM-UHFFFAOYSA-N 0 3 297.402 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000171737366 379390295 /nfs/dbraw/zinc/39/02/95/379390295.db2.gz KVIVKBHZLYLDDE-UHFFFAOYSA-N 0 3 299.418 2.947 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000334570768 379549326 /nfs/dbraw/zinc/54/93/26/379549326.db2.gz PYONZOMPQRGKSQ-RNCFNFMXSA-N 0 3 296.729 2.539 20 30 CFEDHN C=CCCCN(CC)CC(=O)Nc1cccc(OC)c1 ZINC000172173444 379510025 /nfs/dbraw/zinc/51/00/25/379510025.db2.gz LVAHYUKTQOZCLB-UHFFFAOYSA-N 0 3 276.380 2.922 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000335668974 379691726 /nfs/dbraw/zinc/69/17/26/379691726.db2.gz IKIASMCTJNQFNT-YMTOWFKASA-N 0 3 282.265 2.522 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000335654394 379671171 /nfs/dbraw/zinc/67/11/71/379671171.db2.gz RNRSRYXHLRJFMG-GXTWGEPZSA-N 0 3 257.337 2.685 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N1Cc1cnc2ccc(C#N)cn12 ZINC000335660181 379676101 /nfs/dbraw/zinc/67/61/01/379676101.db2.gz ATLLLQROAWNGFS-TZMCWYRMSA-N 0 3 268.364 2.969 20 30 CFEDHN N#CCSCCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000173857190 379789518 /nfs/dbraw/zinc/78/95/18/379789518.db2.gz QZZGRDJZLFDJPX-SNVBAGLBSA-N 0 3 266.332 2.908 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000334689314 379770779 /nfs/dbraw/zinc/77/07/79/379770779.db2.gz WXRIWLHTTUXBLM-KWQFWETISA-N 0 3 264.325 2.638 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2)o1 ZINC000174266018 379853800 /nfs/dbraw/zinc/85/38/00/379853800.db2.gz SNOHGFRIVMLOBS-INIZCTEOSA-N 0 3 295.386 2.905 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000335769387 379858853 /nfs/dbraw/zinc/85/88/53/379858853.db2.gz SWBAVNOBELUVQE-SNVBAGLBSA-N 0 3 278.302 2.830 20 30 CFEDHN COc1ccc(OCCCNCc2ccc(C#N)o2)cc1 ZINC000174303173 379861925 /nfs/dbraw/zinc/86/19/25/379861925.db2.gz VGWPNMQTHFMROX-UHFFFAOYSA-N 0 3 286.331 2.719 20 30 CFEDHN CC(C#N)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000335771498 379863047 /nfs/dbraw/zinc/86/30/47/379863047.db2.gz YMJBULAOBFDQGG-BBRMVZONSA-N 0 3 279.343 2.579 20 30 CFEDHN N#Cc1ccc(OCCNCc2ccc3c[nH]nc3c2)cc1 ZINC000174560363 379908482 /nfs/dbraw/zinc/90/84/82/379908482.db2.gz YHTSJIZNPQETCB-UHFFFAOYSA-N 0 3 292.342 2.603 20 30 CFEDHN C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000174442121 379888289 /nfs/dbraw/zinc/88/82/89/379888289.db2.gz JUPFXMDGVFORMT-SWLSCSKDSA-N 0 3 286.379 2.505 20 30 CFEDHN Cn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1C#N ZINC000334952574 379946799 /nfs/dbraw/zinc/94/67/99/379946799.db2.gz QNTQCENIAJDQPW-GOSISDBHSA-N 0 3 290.370 2.936 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@]3(CCOC3)C2)cc1F ZINC000335239699 380062617 /nfs/dbraw/zinc/06/26/17/380062617.db2.gz KLRTWGXZSUDQMG-INIZCTEOSA-N 0 3 274.339 2.700 20 30 CFEDHN N#Cc1csc(CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000335943034 380137122 /nfs/dbraw/zinc/13/71/22/380137122.db2.gz IORGZOHOMDFVIO-CQSZACIVSA-N 0 3 275.421 2.680 20 30 CFEDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C1(C#N)CCCCC1 ZINC000335951749 380151255 /nfs/dbraw/zinc/15/12/55/380151255.db2.gz SGWNJUNPGTZNKY-CABCVRRESA-N 0 3 289.423 2.546 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cscc2C)CC1 ZINC000176523420 380248603 /nfs/dbraw/zinc/24/86/03/380248603.db2.gz PLZMCQQUHLDSIA-UHFFFAOYSA-N 0 3 278.421 2.827 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCSCC[C@H]1C ZINC000336327504 380322793 /nfs/dbraw/zinc/32/27/93/380322793.db2.gz OJLJBUSTSDJVAI-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)NCc1cc(C#N)cs1 ZINC000177689656 380367462 /nfs/dbraw/zinc/36/74/62/380367462.db2.gz ICBSEEMAHSOGIO-CHWSQXEVSA-N 0 3 277.437 2.830 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)N1CCC[C@@H](C)C1 ZINC000177685300 380367554 /nfs/dbraw/zinc/36/75/54/380367554.db2.gz XNRABOCRWPHVIT-OLZOCXBDSA-N 0 3 277.437 2.830 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(F)c2F)CC1 ZINC000264483897 383745936 /nfs/dbraw/zinc/74/59/36/383745936.db2.gz UJNFRNCNPMOYEW-UHFFFAOYSA-N 0 3 295.333 2.737 20 30 CFEDHN CC(C)O[C@@H]1CCN(CCCOc2cccc(C#N)c2)C1 ZINC000571997667 383745331 /nfs/dbraw/zinc/74/53/31/383745331.db2.gz XGIAXMSQVYOZNH-QGZVFWFLSA-N 0 3 288.391 2.826 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cc(Br)ccc1F ZINC000336393707 380338460 /nfs/dbraw/zinc/33/84/60/380338460.db2.gz JRKRECQUIGFQLE-MRVPVSSYSA-N 0 3 299.143 2.706 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]3COCC[C@@H]32)c1F ZINC000336619457 380560451 /nfs/dbraw/zinc/56/04/51/380560451.db2.gz RKOBHFJXRFOLTB-CABCVRRESA-N 0 3 274.339 2.698 20 30 CFEDHN CC(C(=O)Nc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000336623810 380566799 /nfs/dbraw/zinc/56/67/99/380566799.db2.gz JCWGMBUJBJQGHI-ZCFIWIBFSA-N 0 3 260.190 2.834 20 30 CFEDHN C#CCCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000179874217 380590130 /nfs/dbraw/zinc/59/01/30/380590130.db2.gz BGWGHAIPBJKEGN-QGZVFWFLSA-N 0 3 286.419 2.908 20 30 CFEDHN C[C@@H](NCCn1cc(Cl)cn1)c1ccc(C#N)cc1 ZINC000336809966 380668727 /nfs/dbraw/zinc/66/87/27/380668727.db2.gz GSFOSKXHYCUUES-LLVKDONJSA-N 0 3 274.755 2.759 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCN1C1CCCC1 ZINC000636238169 383748357 /nfs/dbraw/zinc/74/83/57/383748357.db2.gz UIDLICFOOLREKB-OWCLPIDISA-N 0 3 274.408 2.713 20 30 CFEDHN C=C(C)CN1CCC(Nc2cc(C)nc(C)n2)CC1 ZINC000264507923 383749332 /nfs/dbraw/zinc/74/93/32/383749332.db2.gz SGMXMYIYFPHBSD-UHFFFAOYSA-N 0 3 260.385 2.546 20 30 CFEDHN COC[C@@H](C#N)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000181332532 380777739 /nfs/dbraw/zinc/77/77/39/380777739.db2.gz RMMSVSAXHLPSIH-UKRRQHHQSA-N 0 3 287.407 2.997 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287327889 380805607 /nfs/dbraw/zinc/80/56/07/380805607.db2.gz KIZAEPBKCGBHOE-YOEHRIQHSA-N 0 3 297.402 2.564 20 30 CFEDHN C=CCC[C@@H](NCC1(O)CC(OCC)C1)c1ccco1 ZINC000287381473 380819825 /nfs/dbraw/zinc/81/98/25/380819825.db2.gz IGFWNZAEFXAJJC-NPCAHTBFSA-N 0 3 279.380 2.807 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295384099 380821315 /nfs/dbraw/zinc/82/13/15/380821315.db2.gz PWCAEMXVITVLSS-AWEZNQCLSA-N 0 3 276.424 2.698 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CCO)c2ccccc2)cc1 ZINC000341219134 380836296 /nfs/dbraw/zinc/83/62/96/380836296.db2.gz MTQGWDTVXSFLLL-KRWDZBQOSA-N 0 3 266.344 2.772 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1ccc(C#N)cc1 ZINC000287462466 380837570 /nfs/dbraw/zinc/83/75/70/380837570.db2.gz SDPROUVZYJPBOP-UHFFFAOYSA-N 0 3 285.391 2.506 20 30 CFEDHN C=CCC[C@@H](NCC1([S@@](C)=O)CC1)c1ccco1 ZINC000287490900 380845109 /nfs/dbraw/zinc/84/51/09/380845109.db2.gz NHUYFSXVQVOPIA-KZULUSFZSA-N 0 3 267.394 2.788 20 30 CFEDHN CC[C@@H](NCC(=O)N(CC)CCC#N)c1ccc(C)cc1 ZINC000181676633 380861260 /nfs/dbraw/zinc/86/12/60/380861260.db2.gz BQZJSLXFRNXFAZ-MRXNPFEDSA-N 0 3 287.407 2.798 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358559256 380926817 /nfs/dbraw/zinc/92/68/17/380926817.db2.gz PCVCBPPYXCTUJN-WCQYABFASA-N 0 3 262.328 2.533 20 30 CFEDHN CCC[C@@H](CNCc1ccc(C#N)c(F)c1)OC ZINC000404062686 380898063 /nfs/dbraw/zinc/89/80/63/380898063.db2.gz IQNPPMJIIKQWFV-ZDUSSCGKSA-N 0 3 250.317 2.602 20 30 CFEDHN C[C@H](O)CC(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000404183445 380902868 /nfs/dbraw/zinc/90/28/68/380902868.db2.gz FFKSHKARSRALIR-NSHDSACASA-N 0 3 264.344 2.584 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404679012 380905371 /nfs/dbraw/zinc/90/53/71/380905371.db2.gz JAZHGURZUQKLEW-CABCVRRESA-N 0 3 274.339 2.745 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C12CCC2 ZINC000404679015 380905527 /nfs/dbraw/zinc/90/55/27/380905527.db2.gz JAZHGURZUQKLEW-LSDHHAIUSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@@H](NC[C@@H]1CCCOC1)c1ccc(C#N)cc1F ZINC000358551278 380917684 /nfs/dbraw/zinc/91/76/84/380917684.db2.gz AKKYFZRJLAQDAO-YPMHNXCESA-N 0 3 262.328 2.775 20 30 CFEDHN C[C@@H](NCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358554384 380919387 /nfs/dbraw/zinc/91/93/87/380919387.db2.gz KBZQTSROTAEVOE-LLVKDONJSA-N 0 3 262.328 2.775 20 30 CFEDHN C[C@H](NCC1CCOCC1)c1ccc(C#N)cc1F ZINC000358554385 380920295 /nfs/dbraw/zinc/92/02/95/380920295.db2.gz KBZQTSROTAEVOE-NSHDSACASA-N 0 3 262.328 2.775 20 30 CFEDHN C[C@@H](NC[C@@H](C)N(C)C1CC1)c1ccc(C#N)cc1F ZINC000358596865 380957270 /nfs/dbraw/zinc/95/72/70/380957270.db2.gz WHQGPCFVWDHXPQ-VXGBXAGGSA-N 0 3 275.371 2.831 20 30 CFEDHN Cc1ccnc(N2CCC[C@@H](N3CCCCC3)C2)c1C#N ZINC000368235235 380963636 /nfs/dbraw/zinc/96/36/36/380963636.db2.gz OCGFTVVRFVVJPJ-OAHLLOKOSA-N 0 3 284.407 2.716 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000182079093 380985481 /nfs/dbraw/zinc/98/54/81/380985481.db2.gz ZMSGDVOCBJMSJY-CQSZACIVSA-N 0 3 274.364 2.832 20 30 CFEDHN C[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)[C@@H](C)O1 ZINC000295619653 380977637 /nfs/dbraw/zinc/97/76/37/380977637.db2.gz DVUVLUPLVHIRRW-LALPHHSUSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358567878 380934666 /nfs/dbraw/zinc/93/46/66/380934666.db2.gz KITFTDJTOWYZQB-GMXVVIOVSA-N 0 3 262.328 2.773 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000358569175 380937988 /nfs/dbraw/zinc/93/79/88/380937988.db2.gz LUINBYHUHUGMOS-JQAFLVLXSA-N 0 3 274.339 2.915 20 30 CFEDHN C[C@@H](NC[C@](C)(O)C1CC1)c1ccc(C#N)cc1F ZINC000358580599 380944913 /nfs/dbraw/zinc/94/49/13/380944913.db2.gz YEQIHWPGBFJVHE-BMIGLBTASA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](CCC#N)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000411140494 381010726 /nfs/dbraw/zinc/01/07/26/381010726.db2.gz XIWLHLVEHDFRAF-OAHLLOKOSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CCC)CCC ZINC000411163276 381012948 /nfs/dbraw/zinc/01/29/48/381012948.db2.gz DYDHFMZNONMBOR-AWEZNQCLSA-N 0 3 252.402 2.698 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000411267445 381021296 /nfs/dbraw/zinc/02/12/96/381021296.db2.gz RNVXMHRZDRWWDU-ZIAGYGMSSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCCOCCN[C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182169816 381007644 /nfs/dbraw/zinc/00/76/44/381007644.db2.gz GKLZHPRXKDCUES-CYBMUJFWSA-N 0 3 276.380 2.888 20 30 CFEDHN Cc1cc(CCN[C@@H](C)c2ccc(C#N)cc2F)on1 ZINC000353995075 381008634 /nfs/dbraw/zinc/00/86/34/381008634.db2.gz GJKVKZHXEXVAKU-NSHDSACASA-N 0 3 273.311 2.887 20 30 CFEDHN N#Cc1cccc(CCNCc2cccc3c2OCO3)c1 ZINC000341493833 381046704 /nfs/dbraw/zinc/04/67/04/381046704.db2.gz XABYSGFLMVDDCO-UHFFFAOYSA-N 0 3 280.327 2.619 20 30 CFEDHN Cn1cc(CNCCc2cccc(C#N)c2)c(C(C)(C)C)n1 ZINC000341496121 381049140 /nfs/dbraw/zinc/04/91/40/381049140.db2.gz YLLGMOLFKLEXGP-UHFFFAOYSA-N 0 3 296.418 2.922 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1csc(COC)n1 ZINC000289605145 381063591 /nfs/dbraw/zinc/06/35/91/381063591.db2.gz CVFQQBNIPFKGSI-QWRGUYRKSA-N 0 3 254.399 2.980 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1ccccc1C#N)C1CC1 ZINC000411952232 381067848 /nfs/dbraw/zinc/06/78/48/381067848.db2.gz RCDKYVSXUGGSQP-BLLLJJGKSA-N 0 3 258.365 2.851 20 30 CFEDHN C[C@H](CNc1nccc(C#N)c1Cl)N1CCC[C@H](C)C1 ZINC000341532151 381069273 /nfs/dbraw/zinc/06/92/73/381069273.db2.gz NQWXYEJAWBQEHT-NWDGAFQWSA-N 0 3 292.814 2.561 20 30 CFEDHN COc1ccsc1CNCCc1cccc(C#N)c1 ZINC000341471004 381033108 /nfs/dbraw/zinc/03/31/08/381033108.db2.gz CHGFGQPQSLDIOW-UHFFFAOYSA-N 0 3 272.373 2.961 20 30 CFEDHN N#Cc1cccc(CCNCc2cn3ccccc3n2)c1 ZINC000341471788 381033171 /nfs/dbraw/zinc/03/31/71/381033171.db2.gz UHMMZNYSTNFVBC-UHFFFAOYSA-N 0 3 276.343 2.538 20 30 CFEDHN CC#CCCNCc1cn(-c2ccccc2)nc1C ZINC000354178626 381123625 /nfs/dbraw/zinc/12/36/25/381123625.db2.gz LRWTYKGRAFYMLK-UHFFFAOYSA-N 0 3 253.349 2.684 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000411971926 381075616 /nfs/dbraw/zinc/07/56/16/381075616.db2.gz PFZULBMZVPXDGK-MEDUHNTESA-N 0 3 276.355 2.991 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000354199696 381137074 /nfs/dbraw/zinc/13/70/74/381137074.db2.gz HDOTULIUFSSAFR-ZBFHGGJFSA-N 0 3 279.428 2.553 20 30 CFEDHN CC(C)CCCN1CCCN(c2ncccc2C#N)CC1 ZINC000368880440 381154805 /nfs/dbraw/zinc/15/48/05/381154805.db2.gz RZKDLQOSIWARSV-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN COC[C@H](NCCCCC#N)c1ccc(F)c(F)c1 ZINC000182812601 381164308 /nfs/dbraw/zinc/16/43/08/381164308.db2.gz GKQFWMIHPSZWIG-AWEZNQCLSA-N 0 3 268.307 2.936 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000354278229 381178618 /nfs/dbraw/zinc/17/86/18/381178618.db2.gz SAQDYQBVZAUMJY-YUELXQCFSA-N 0 3 286.375 2.646 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCCC(C)(C)C1 ZINC000347483267 381178651 /nfs/dbraw/zinc/17/86/51/381178651.db2.gz MBYVCDYUQPKKKE-INIZCTEOSA-N 0 3 266.429 2.827 20 30 CFEDHN C=C[C@@H](CO)NCc1cc(C)c(OC(F)F)c(C)c1 ZINC000289914702 381216046 /nfs/dbraw/zinc/21/60/46/381216046.db2.gz RYSRMJLSIJKHCF-LBPRGKRZSA-N 0 3 271.307 2.541 20 30 CFEDHN C=CCCOCCNCc1ccc(OC)c(OC)c1C ZINC000342158114 381216314 /nfs/dbraw/zinc/21/63/14/381216314.db2.gz GHTNORAHPKIKAF-UHFFFAOYSA-N 0 3 279.380 2.695 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000183379086 381264542 /nfs/dbraw/zinc/26/45/42/381264542.db2.gz YMRCFXFDMDCILP-CABCVRRESA-N 0 3 287.407 2.530 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)c2ccccc2Cl)o1 ZINC000342279009 381243065 /nfs/dbraw/zinc/24/30/65/381243065.db2.gz MKTGZYAUBMXWBV-LLVKDONJSA-N 0 3 290.750 2.670 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CCCC#N ZINC000347600133 381247054 /nfs/dbraw/zinc/24/70/54/381247054.db2.gz LFQWIAISXSIXTF-HOTGVXAUSA-N 0 3 271.408 2.885 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000289984718 381248928 /nfs/dbraw/zinc/24/89/28/381248928.db2.gz YBHBZJLAIHNHAZ-ONGXEEELSA-N 0 3 275.270 2.783 20 30 CFEDHN N#CC(C(=O)c1cccc(C(F)F)c1)c1ccncn1 ZINC000354460366 381287002 /nfs/dbraw/zinc/28/70/02/381287002.db2.gz FUUDSFSAMFSUJE-LLVKDONJSA-N 0 3 273.242 2.904 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000354448262 381275937 /nfs/dbraw/zinc/27/59/37/381275937.db2.gz PNLGWIOAHJMXFS-GASCZTMLSA-N 0 3 274.408 2.776 20 30 CFEDHN CCN(CCC#N)C(=O)CNC1(c2ccccc2)CCCC1 ZINC000183535794 381283309 /nfs/dbraw/zinc/28/33/09/381283309.db2.gz FDPVDQYUURVLBA-UHFFFAOYSA-N 0 3 299.418 2.808 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000183545003 381285747 /nfs/dbraw/zinc/28/57/47/381285747.db2.gz HECXWFLMBDILAT-IJEWVQPXSA-N 0 3 293.455 2.761 20 30 CFEDHN Cc1cccc(NCCNCc2ccc(C#N)cc2F)n1 ZINC000347784864 381348635 /nfs/dbraw/zinc/34/86/35/381348635.db2.gz VETHTBVYHOPLPS-UHFFFAOYSA-N 0 3 284.338 2.603 20 30 CFEDHN C#C[C@H](NCc1c[nH]nc1-c1cccnc1)C(C)(C)C ZINC000290257346 381360505 /nfs/dbraw/zinc/36/05/05/381360505.db2.gz WIOPKAVNPANPJZ-AWEZNQCLSA-N 0 3 268.364 2.609 20 30 CFEDHN C=CCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184076575 381368314 /nfs/dbraw/zinc/36/83/14/381368314.db2.gz MSLFWOBWZNMGAU-RDJZCZTQSA-N 0 3 286.419 2.979 20 30 CFEDHN CCN1CCC[C@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000296458045 381404479 /nfs/dbraw/zinc/40/44/79/381404479.db2.gz JDVDZMHAKYOEBP-HNNXBMFYSA-N 0 3 271.364 2.657 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000342542216 381385945 /nfs/dbraw/zinc/38/59/45/381385945.db2.gz SBBLNDDDSQCWAM-CJNGLKHVSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@@H](c1ccccc1)N(CCCC(C)(C)C#N)CC(N)=O ZINC000342607923 381431637 /nfs/dbraw/zinc/43/16/37/381431637.db2.gz RWGAZDQQDWIKGJ-AWEZNQCLSA-N 0 3 287.407 2.865 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)C(F)F ZINC000296551420 381445381 /nfs/dbraw/zinc/44/53/81/381445381.db2.gz RNVNJHDGCOBYML-AQUOVQTQSA-N 0 3 286.297 2.753 20 30 CFEDHN C=CCOCCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000348034092 381453806 /nfs/dbraw/zinc/45/38/06/381453806.db2.gz NJILBXUANQNGAI-OAHLLOKOSA-N 0 3 285.334 2.835 20 30 CFEDHN C=CCOCCCN1CCN(C2CCC(C)CC2)CC1 ZINC000348038054 381454140 /nfs/dbraw/zinc/45/41/40/381454140.db2.gz SDDCSEHPFLCZCT-UHFFFAOYSA-N 0 3 280.456 2.775 20 30 CFEDHN C=CCOCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000348035141 381454771 /nfs/dbraw/zinc/45/47/71/381454771.db2.gz OZEIPHPKBJVDHM-KRWDZBQOSA-N 0 3 274.408 2.568 20 30 CFEDHN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000342670376 381468528 /nfs/dbraw/zinc/46/85/28/381468528.db2.gz RLVMDSYLBYAKKS-KRWDZBQOSA-N 0 3 299.418 2.585 20 30 CFEDHN C=CCCN(C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000342730246 381505659 /nfs/dbraw/zinc/50/56/59/381505659.db2.gz IZISNWRAHSLQKP-HNNXBMFYSA-N 0 3 276.380 2.920 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCCN1CCCC[C@H]1C ZINC000342701942 381487669 /nfs/dbraw/zinc/48/76/69/381487669.db2.gz HBJHIUCSEGBQHQ-HUUCEWRRSA-N 0 3 281.444 2.905 20 30 CFEDHN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CCN(C2CC2)C1 ZINC000296680219 381503180 /nfs/dbraw/zinc/50/31/80/381503180.db2.gz IEDNEHPERMIFDU-CYBMUJFWSA-N 0 3 287.382 2.613 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000342765742 381524957 /nfs/dbraw/zinc/52/49/57/381524957.db2.gz QWDDNVCTIYBMHI-ROKHWSDSSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCC[C@@H](CC)NCc1ccccc1S(C)(=O)=O ZINC000414236669 381572611 /nfs/dbraw/zinc/57/26/11/381572611.db2.gz LAVZLPDZWFMPRP-CQSZACIVSA-N 0 3 281.421 2.925 20 30 CFEDHN C[C@H](CCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348449834 381573042 /nfs/dbraw/zinc/57/30/42/381573042.db2.gz YGLRZXKSUMZTMZ-DYVFJYSZSA-N 0 3 295.386 2.935 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1cc(C)n(C)n1)C(C)C ZINC000414276813 381574463 /nfs/dbraw/zinc/57/44/63/381574463.db2.gz USBUUHXDDVFYIE-QGZVFWFLSA-N 0 3 290.455 2.517 20 30 CFEDHN C=CCC[C@H](C)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000414318746 381580240 /nfs/dbraw/zinc/58/02/40/381580240.db2.gz QLMCVOZIJHKQHN-SWLSCSKDSA-N 0 3 276.355 2.875 20 30 CFEDHN N#Cc1csc(CN2CC[C@]3(C2)CCCOC3)c1 ZINC000342844070 381580853 /nfs/dbraw/zinc/58/08/53/381580853.db2.gz XNYGUOZBGXCHSG-AWEZNQCLSA-N 0 3 262.378 2.622 20 30 CFEDHN C=CCOCCN1CCN(c2ccnc3ccccc32)CC1 ZINC000297332488 381556508 /nfs/dbraw/zinc/55/65/08/381556508.db2.gz CXGLSDLMUSYVCE-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN CC1(C#N)CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000414164869 381565273 /nfs/dbraw/zinc/56/52/73/381565273.db2.gz KUIDVKZQQCZHEP-UHFFFAOYSA-N 0 3 294.362 2.743 20 30 CFEDHN CCOC(=O)C[C@](C)(NCc1ccc(C#N)o1)C(C)C ZINC000185235096 381572190 /nfs/dbraw/zinc/57/21/90/381572190.db2.gz UUNSYLVQVHVFMV-HNNXBMFYSA-N 0 3 278.352 2.609 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000342890253 381601773 /nfs/dbraw/zinc/60/17/73/381601773.db2.gz WIGGEFSENNPEOD-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CCOC(C)C)C(C)C ZINC000298381998 381602366 /nfs/dbraw/zinc/60/23/66/381602366.db2.gz CEKBRPCEPFOVLZ-INIZCTEOSA-N 0 3 296.455 2.616 20 30 CFEDHN C#Cc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000290936457 381603321 /nfs/dbraw/zinc/60/33/21/381603321.db2.gz PIZPUQVRGGKOQD-KRWDZBQOSA-N 0 3 265.360 2.620 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1CCC[C@H]1OC(F)F ZINC000348521163 381606282 /nfs/dbraw/zinc/60/62/82/381606282.db2.gz NQGMJVITELBXCN-GXTWGEPZSA-N 0 3 296.317 2.817 20 30 CFEDHN CCOC[C@H](NCc1ccc(C#N)c(F)c1)C(C)C ZINC000348482481 381587676 /nfs/dbraw/zinc/58/76/76/381587676.db2.gz XLSCYBHPKSCDFE-HNNXBMFYSA-N 0 3 264.344 2.848 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000185292836 381587837 /nfs/dbraw/zinc/58/78/37/381587837.db2.gz KDOTUGMGFQCYST-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000414564339 381594813 /nfs/dbraw/zinc/59/48/13/381594813.db2.gz DJSIGYORNOKWLG-GOEBONIOSA-N 0 3 275.392 2.844 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348527716 381611301 /nfs/dbraw/zinc/61/13/01/381611301.db2.gz IJQLTXMLSLFPCI-CHWSQXEVSA-N 0 3 296.317 2.817 20 30 CFEDHN C=C(Cl)CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000298409838 381613235 /nfs/dbraw/zinc/61/32/35/381613235.db2.gz FLCBDIVWPWEZSG-KBPBESRZSA-N 0 3 250.773 2.774 20 30 CFEDHN C=CCN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185383701 381618985 /nfs/dbraw/zinc/61/89/85/381618985.db2.gz JIUKXFYAGDUOKR-ZDUSSCGKSA-N 0 3 290.407 2.702 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000348546717 381626102 /nfs/dbraw/zinc/62/61/02/381626102.db2.gz NHBMIZKLVIVJNM-NEPJUHHUSA-N 0 3 292.345 2.809 20 30 CFEDHN Cn1cc([C@H](NCCCCC#N)c2ccc(F)cc2)cn1 ZINC000185418193 381626352 /nfs/dbraw/zinc/62/63/52/381626352.db2.gz LFFUVLJEXNFXLI-MRXNPFEDSA-N 0 3 286.354 2.932 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@H]1CCC[C@@H]1O ZINC000348547054 381626808 /nfs/dbraw/zinc/62/68/08/381626808.db2.gz NZPJTJQAGUEGPH-GJZGRUSLSA-N 0 3 261.365 2.597 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(N)=O ZINC000359892519 381663818 /nfs/dbraw/zinc/66/38/18/381663818.db2.gz HVBLOFOASFSLBK-QWHCGFSZSA-N 0 3 293.370 2.750 20 30 CFEDHN N#CCCCN1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371658924 381671820 /nfs/dbraw/zinc/67/18/20/381671820.db2.gz FLSWZYKZHGLMAO-CQSZACIVSA-N 0 3 254.337 2.587 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000371533721 381651750 /nfs/dbraw/zinc/65/17/50/381651750.db2.gz JEACEWSCMXDIRV-LSDHHAIUSA-N 0 3 266.429 2.900 20 30 CFEDHN C#CCOc1ccccc1CNC[C@](C)(OC)C1CC1 ZINC000291064831 381653758 /nfs/dbraw/zinc/65/37/58/381653758.db2.gz QCOVDUGLTLTDEN-KRWDZBQOSA-N 0 3 273.376 2.603 20 30 CFEDHN N#CC(C(=O)NCC(F)(F)F)c1nccc2ccccc21 ZINC000359921537 381680865 /nfs/dbraw/zinc/68/08/65/381680865.db2.gz CQQBSVSKIVDNPE-NSHDSACASA-N 0 3 293.248 2.520 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2cccc(C#N)c2)[C@@H]1SC ZINC000298587557 381681784 /nfs/dbraw/zinc/68/17/84/381681784.db2.gz YEWFCNGWYQJVSQ-ZNMIVQPWSA-N 0 3 276.405 2.557 20 30 CFEDHN CC#CCCN1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291154496 381686550 /nfs/dbraw/zinc/68/65/50/381686550.db2.gz LJYCJDNIAGCWPR-SFHVURJKSA-N 0 3 287.403 2.854 20 30 CFEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000185651886 381693298 /nfs/dbraw/zinc/69/32/98/381693298.db2.gz ZEGLJEIZHVFLCB-SWLSCSKDSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@H](NCc1ccc(C#N)o1)[C@H](c1ccccc1)N(C)C ZINC000185679092 381704744 /nfs/dbraw/zinc/70/47/44/381704744.db2.gz NRLRAFQFQGAMHD-SUMWQHHRSA-N 0 3 283.375 2.932 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC(c2c[nH]cn2)CC1 ZINC000360020171 381731733 /nfs/dbraw/zinc/73/17/33/381731733.db2.gz LARWQTAZQAGFFO-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN C=C(C)COCCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000343468038 381734389 /nfs/dbraw/zinc/73/43/89/381734389.db2.gz LAXIBCYQUMBJNQ-OAHLLOKOSA-N 0 3 264.344 2.854 20 30 CFEDHN N#Cc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)s1 ZINC000291285650 381736343 /nfs/dbraw/zinc/73/63/43/381736343.db2.gz PBRVFGNRWAWWKA-KRWDZBQOSA-N 0 3 298.411 2.756 20 30 CFEDHN CCN(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@H](C#N)C1 ZINC000185816156 381743402 /nfs/dbraw/zinc/74/34/02/381743402.db2.gz DRLNNHIXIKMROF-IRXDYDNUSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCCC#N)C1 ZINC000360040063 381745659 /nfs/dbraw/zinc/74/56/59/381745659.db2.gz WPQMHWWOJFDWIP-ZBFHGGJFSA-N 0 3 285.391 2.632 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000185824334 381745727 /nfs/dbraw/zinc/74/57/27/381745727.db2.gz XJSDFXNGJIHWCB-KCQAQPDRSA-N 0 3 271.364 2.686 20 30 CFEDHN C#CCSCCN[C@@H]1CCCc2c(O)cccc21 ZINC000291321227 381748224 /nfs/dbraw/zinc/74/82/24/381748224.db2.gz UTGDFWSELVDGLY-CQSZACIVSA-N 0 3 261.390 2.726 20 30 CFEDHN CC(C#N)C(=O)NCCCOc1ccc2ccccc2c1 ZINC000355554636 381782644 /nfs/dbraw/zinc/78/26/44/381782644.db2.gz FLUAFHOFVJDFCO-ZDUSSCGKSA-N 0 3 282.343 2.885 20 30 CFEDHN C=C(CNCc1cc(C(=O)OC)c(C)n1C)c1ccccc1 ZINC000360973850 381797471 /nfs/dbraw/zinc/79/74/71/381797471.db2.gz KWVPUZMEGUJGOW-UHFFFAOYSA-N 0 3 298.386 2.923 20 30 CFEDHN CCc1nn(C)c(CC)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185870056 381761643 /nfs/dbraw/zinc/76/16/43/381761643.db2.gz QADZWGVTKSCCLD-STQMWFEESA-N 0 3 274.412 2.717 20 30 CFEDHN COC(=O)c1cccc(CNCc2ccc(C#N)c(C)c2)c1 ZINC000348919311 381766550 /nfs/dbraw/zinc/76/65/50/381766550.db2.gz FTJOQXXLWMBCRC-UHFFFAOYSA-N 0 3 294.354 2.943 20 30 CFEDHN CC#CCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000361346658 381821496 /nfs/dbraw/zinc/82/14/96/381821496.db2.gz PIQRFQAISUCBCG-DOTOQJQBSA-N 0 3 299.418 2.535 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C(C)(C)C)C1 ZINC000361552832 381844588 /nfs/dbraw/zinc/84/45/88/381844588.db2.gz NDYFZTSAROSGII-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN C=CCOCCNC1(c2ccc(F)cc2)CCOCC1 ZINC000292776670 381831250 /nfs/dbraw/zinc/83/12/50/381831250.db2.gz KDMNBRIBZHSWSQ-UHFFFAOYSA-N 0 3 279.355 2.624 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCC(C)(C)C1 ZINC000361471879 381834153 /nfs/dbraw/zinc/83/41/53/381834153.db2.gz VSWKYMPYXICPMU-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN CC[C@H](NCCc1cccc(C#N)c1)c1nccn1C ZINC000343616021 381845235 /nfs/dbraw/zinc/84/52/35/381845235.db2.gz SUVVQCZDNFDUMW-HNNXBMFYSA-N 0 3 268.364 2.575 20 30 CFEDHN C[C@@H](CO)N(CC#Cc1ccc(F)cc1)CC1CCC1 ZINC000361500431 381836695 /nfs/dbraw/zinc/83/66/95/381836695.db2.gz DSBHXLOJKQLJJR-AWEZNQCLSA-N 0 3 275.367 2.660 20 30 CFEDHN CC[C@@H](NCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000343608844 381838170 /nfs/dbraw/zinc/83/81/70/381838170.db2.gz LXPFQHZLXVOYPL-LLVKDONJSA-N 0 3 279.409 2.973 20 30 CFEDHN C=CCCCCCN1CCN(c2ccncc2OC)CC1 ZINC000361532400 381839424 /nfs/dbraw/zinc/83/94/24/381839424.db2.gz XLHFYWUGKLMGST-UHFFFAOYSA-N 0 3 289.423 2.959 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[C@@H]1O ZINC000356320875 381841780 /nfs/dbraw/zinc/84/17/80/381841780.db2.gz PFOFEHONIMPXKO-KBPBESRZSA-N 0 3 298.308 2.922 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[C@H]1O ZINC000356320878 381841917 /nfs/dbraw/zinc/84/19/17/381841917.db2.gz PFOFEHONIMPXKO-UONOGXRCSA-N 0 3 298.308 2.922 20 30 CFEDHN Cc1ccc(N2CC(N(C)Cc3ccccc3)C2)nc1C#N ZINC000343614912 381842580 /nfs/dbraw/zinc/84/25/80/381842580.db2.gz TWJUVEMYMQWCRV-UHFFFAOYSA-N 0 3 292.386 2.582 20 30 CFEDHN CC[C@H](C)[C@H](C)N(CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000355796845 381804351 /nfs/dbraw/zinc/80/43/51/381804351.db2.gz LDVIJYLTJOJAIF-DCGLDWPTSA-N 0 3 291.439 2.694 20 30 CFEDHN C=CCOc1ccccc1CN(CC)[C@@H]1CCOC1 ZINC000361235452 381813440 /nfs/dbraw/zinc/81/34/40/381813440.db2.gz BJFPZVWLKNURNB-OAHLLOKOSA-N 0 3 261.365 2.862 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)c1cscc1C#N ZINC000349071600 381813649 /nfs/dbraw/zinc/81/36/49/381813649.db2.gz AZSBRQFVIFKIBR-UHFFFAOYSA-N 0 3 299.399 2.976 20 30 CFEDHN C#CCNC(=O)CCN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000292870995 381876833 /nfs/dbraw/zinc/87/68/33/381876833.db2.gz SKKNLCSZYRLPLH-MRXNPFEDSA-N 0 3 290.382 2.642 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2)c(F)c1 ZINC000343670867 381879630 /nfs/dbraw/zinc/87/96/30/381879630.db2.gz SVFQOFLVSROARU-INIZCTEOSA-N 0 3 298.361 2.638 20 30 CFEDHN C=CCN(CCOC)Cc1ccc2ncccc2c1 ZINC000361647157 381852903 /nfs/dbraw/zinc/85/29/03/381852903.db2.gz JVFMYKNGNPFDFK-UHFFFAOYSA-N 0 3 256.349 2.869 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cn2cncn2)CC1 ZINC000186224484 381857798 /nfs/dbraw/zinc/85/77/98/381857798.db2.gz WZRSPMHQVJNJKZ-CQSZACIVSA-N 0 3 295.390 2.623 20 30 CFEDHN C=CCCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000361806911 381863716 /nfs/dbraw/zinc/86/37/16/381863716.db2.gz POXQKDPAANCBKN-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN COc1c(O)cccc1CNCCc1cccc(C#N)c1 ZINC000343643131 381863697 /nfs/dbraw/zinc/86/36/97/381863697.db2.gz UKOYOKUVZZWGLG-UHFFFAOYSA-N 0 3 282.343 2.605 20 30 CFEDHN CCc1ccc([C@H](C#N)NC(=O)C23CCCN2CCC3)cc1 ZINC000415699529 381868065 /nfs/dbraw/zinc/86/80/65/381868065.db2.gz JGNYAAJNILIKKB-INIZCTEOSA-N 0 3 297.402 2.558 20 30 CFEDHN C=CCCCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415892313 381869495 /nfs/dbraw/zinc/86/94/95/381869495.db2.gz ICEZOUXEYJDTLD-UHFFFAOYSA-N 0 3 273.380 2.810 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415967020 381873011 /nfs/dbraw/zinc/87/30/11/381873011.db2.gz CULUXRVZVDPKLL-UHFFFAOYSA-N 0 3 289.379 2.502 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3ccc(C#N)cc3F)C2)C1 ZINC000292870019 381875029 /nfs/dbraw/zinc/87/50/29/381875029.db2.gz SXVZXUJSLDTONI-MRXNPFEDSA-N 0 3 273.355 2.619 20 30 CFEDHN C=CCN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343738154 381917522 /nfs/dbraw/zinc/91/75/22/381917522.db2.gz PEWRUDCDBXWOKA-SNVBAGLBSA-N 0 3 273.302 2.804 20 30 CFEDHN CC#CCCCC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000362146211 381926384 /nfs/dbraw/zinc/92/63/84/381926384.db2.gz LLOLNBRZZOUFHY-CABCVRRESA-N 0 3 264.413 2.559 20 30 CFEDHN C#CCCCCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000186495627 381927115 /nfs/dbraw/zinc/92/71/15/381927115.db2.gz BMJPXQQAAYDMLA-MAUKXSAKSA-N 0 3 286.419 2.988 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343690219 381889283 /nfs/dbraw/zinc/88/92/83/381889283.db2.gz MHXNNCGICKPCNK-UHFFFAOYSA-N 0 3 272.392 2.737 20 30 CFEDHN Cn1cc(CN[C@@H]2CC[C@@H](C#N)C2)c(-c2ccccc2)n1 ZINC000349848275 381995284 /nfs/dbraw/zinc/99/52/84/381995284.db2.gz ADNIAEWRGAFMEP-CZUORRHYSA-N 0 3 280.375 2.869 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@H](CC)CC1 ZINC000343909062 382015721 /nfs/dbraw/zinc/01/57/21/382015721.db2.gz BKYCOQDMRHWQHC-HNNXBMFYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)CC1(C)C ZINC000350181944 382008214 /nfs/dbraw/zinc/00/82/14/382008214.db2.gz UVYWQVBCORBNNF-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN Cn1cc(-c2cccc(CN[C@H]3CC[C@@H](C#N)C3)c2)cn1 ZINC000349805378 381991374 /nfs/dbraw/zinc/99/13/74/381991374.db2.gz VNISCIXJQGOLGP-DYVFJYSZSA-N 0 3 280.375 2.869 20 30 CFEDHN C[C@@H](NCc1cccc(F)c1C#N)C1CCOCC1 ZINC000362297368 381994479 /nfs/dbraw/zinc/99/44/79/381994479.db2.gz WWMYWPQSNMYYTE-LLVKDONJSA-N 0 3 262.328 2.602 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@H](C(C)C)N1CCCCC1 ZINC000351528567 382042605 /nfs/dbraw/zinc/04/26/05/382042605.db2.gz DJRZKYRAFWAOGW-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN CCC[C@H](C)NC(=O)[C@H]1CCCN([C@@H](C)CCC#N)C1 ZINC000351622563 382047984 /nfs/dbraw/zinc/04/79/84/382047984.db2.gz WFEHGSJSBDENIZ-KKUMJFAQSA-N 0 3 279.428 2.695 20 30 CFEDHN C[C@H](CCC#N)N1CCN(CCC(C)(C)C)CC1 ZINC000351620728 382048874 /nfs/dbraw/zinc/04/88/74/382048874.db2.gz QWJDWXIYIZSZRM-CQSZACIVSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000351602577 382048970 /nfs/dbraw/zinc/04/89/70/382048970.db2.gz IVMURTZQVKCZFN-HNNXBMFYSA-N 0 3 293.407 2.757 20 30 CFEDHN N#CCCCN1CCC[C@@H]1COc1ccc(F)cc1 ZINC000374618837 382051071 /nfs/dbraw/zinc/05/10/71/382051071.db2.gz ICKZVVJWPDOQNA-CQSZACIVSA-N 0 3 262.328 2.973 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000351678984 382053390 /nfs/dbraw/zinc/05/33/90/382053390.db2.gz LJHLHDCDWWOWLV-HUUCEWRRSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000351678983 382053649 /nfs/dbraw/zinc/05/36/49/382053649.db2.gz LJHLHDCDWWOWLV-GJZGRUSLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000351684799 382055095 /nfs/dbraw/zinc/05/50/95/382055095.db2.gz LDXSEXUYJWTDET-UHFFFAOYSA-N 0 3 289.423 2.904 20 30 CFEDHN C=CCCCCNC(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000351689808 382055260 /nfs/dbraw/zinc/05/52/60/382055260.db2.gz BVKFAVBICIBENH-GJZGRUSLSA-N 0 3 281.444 2.905 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000343995235 382055253 /nfs/dbraw/zinc/05/52/53/382055253.db2.gz BWUNQJMCMAFOSF-VNHYZAJKSA-N 0 3 256.349 2.941 20 30 CFEDHN CCOC(=O)C1(C)CCN(CC(C)(C)CCC#N)CC1 ZINC000374780000 382056084 /nfs/dbraw/zinc/05/60/84/382056084.db2.gz LZJMSCNQUIFLSF-UHFFFAOYSA-N 0 3 280.412 2.982 20 30 CFEDHN CN1CC[C@H]2CCN(c3ccc(Cl)cc3C#N)C[C@H]21 ZINC000375048819 382065348 /nfs/dbraw/zinc/06/53/48/382065348.db2.gz JSTLVQHUFRBIKD-XHDPSFHLSA-N 0 3 275.783 2.742 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000362368837 382029101 /nfs/dbraw/zinc/02/91/01/382029101.db2.gz CLKYORZMQVGSEL-GOEBONIOSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000362372446 382032967 /nfs/dbraw/zinc/03/29/67/382032967.db2.gz ZVJTZDIIIQNIIG-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN CC(C)[C@@]1(CO)CCCN(Cc2ccc(C#N)cc2)C1 ZINC000293218545 382033879 /nfs/dbraw/zinc/03/38/79/382033879.db2.gz XSZCBDLGZPVPKC-KRWDZBQOSA-N 0 3 272.392 2.789 20 30 CFEDHN C=C[C@H](C)NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000362378321 382035651 /nfs/dbraw/zinc/03/56/51/382035651.db2.gz DMFBTKDRGMGHEF-AWEZNQCLSA-N 0 3 289.423 2.854 20 30 CFEDHN C[C@H](CCC#N)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000351410836 382038410 /nfs/dbraw/zinc/03/84/10/382038410.db2.gz JYOKOTIHVSMNRF-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN C#CCN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000375798984 382103962 /nfs/dbraw/zinc/10/39/62/382103962.db2.gz YKKKVJRQCUGIHQ-QGZVFWFLSA-N 0 3 288.435 2.513 20 30 CFEDHN N#Cc1ccc(CN(CCO)CC2CCCCC2)s1 ZINC000362527712 382128657 /nfs/dbraw/zinc/12/86/57/382128657.db2.gz FHIDVMCBMYSOQI-UHFFFAOYSA-N 0 3 278.421 2.994 20 30 CFEDHN CN(CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000344029814 382078351 /nfs/dbraw/zinc/07/83/51/382078351.db2.gz AXYXACQQHATRCX-CQSZACIVSA-N 0 3 283.375 2.785 20 30 CFEDHN CN(CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000344029813 382079529 /nfs/dbraw/zinc/07/95/29/382079529.db2.gz AXYXACQQHATRCX-AWEZNQCLSA-N 0 3 283.375 2.785 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344031375 382081066 /nfs/dbraw/zinc/08/10/66/382081066.db2.gz DRMCMMFDSKHZDU-LSDHHAIUSA-N 0 3 278.440 2.944 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCCN(c3ccccc3)CC2)C1 ZINC000293367579 382095450 /nfs/dbraw/zinc/09/54/50/382095450.db2.gz FLCMTGUUKSEWJI-RDJZCZTQSA-N 0 3 269.392 2.891 20 30 CFEDHN Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1C#N ZINC000376560547 382146997 /nfs/dbraw/zinc/14/69/97/382146997.db2.gz CYYFNBAMQVYNJF-WMLDXEAASA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C2CC2)C1 ZINC000344129069 382147675 /nfs/dbraw/zinc/14/76/75/382147675.db2.gz XLJAMQJCHDVOMG-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN CN(C[C@H]1CCCN(C)C1)c1c(F)cc(C#N)cc1F ZINC000301325612 382148742 /nfs/dbraw/zinc/14/87/42/382148742.db2.gz AROKHXHVPQEPPD-NSHDSACASA-N 0 3 279.334 2.614 20 30 CFEDHN CN(C[C@@H]1CCCN(C)C1)c1c(F)cc(C#N)cc1F ZINC000301325610 382148879 /nfs/dbraw/zinc/14/88/79/382148879.db2.gz AROKHXHVPQEPPD-LLVKDONJSA-N 0 3 279.334 2.614 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)CCc1ccncc1 ZINC000344143818 382157423 /nfs/dbraw/zinc/15/74/23/382157423.db2.gz NSQDQUBMMUNXHI-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418647716 382170203 /nfs/dbraw/zinc/17/02/03/382170203.db2.gz YIOFFZQOLBAFJQ-NVXWUHKLSA-N 0 3 299.418 2.624 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362703245 382206490 /nfs/dbraw/zinc/20/64/90/382206490.db2.gz IZHRCQOGORVPSO-SQWLQELKSA-N 0 3 287.407 2.696 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000344220983 382207311 /nfs/dbraw/zinc/20/73/11/382207311.db2.gz RSPCQIYLAMJVNL-MRXNPFEDSA-N 0 3 299.418 2.542 20 30 CFEDHN CN1CC[C@H](CNc2cnc(C#N)cn2)[C@H]1c1cccs1 ZINC000376909435 382190200 /nfs/dbraw/zinc/19/02/00/382190200.db2.gz DDSUVEVQHYLCFE-ABAIWWIYSA-N 0 3 299.403 2.515 20 30 CFEDHN N#Cc1ccc2nc(N3CCN(CC4CC4)CC3)ccc2c1 ZINC000301812152 382194231 /nfs/dbraw/zinc/19/42/31/382194231.db2.gz HHLKFKWKHVHKEO-UHFFFAOYSA-N 0 3 292.386 2.638 20 30 CFEDHN Cc1ccc(NCCN(C)Cc2ccccc2)nc1C#N ZINC000302621993 382279609 /nfs/dbraw/zinc/27/96/09/382279609.db2.gz HATUOKNSYZKUHN-UHFFFAOYSA-N 0 3 280.375 2.806 20 30 CFEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345110945 382285546 /nfs/dbraw/zinc/28/55/46/382285546.db2.gz JWTUJFBJEDFCAV-KBPBESRZSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000363740135 382244379 /nfs/dbraw/zinc/24/43/79/382244379.db2.gz WAFIEUASLBHUNU-FGTMMUONSA-N 0 3 298.430 2.899 20 30 CFEDHN Cn1cc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cc1C#N ZINC000377407986 382268380 /nfs/dbraw/zinc/26/83/80/382268380.db2.gz OEHANNSGXFMNEX-QZTJIDSGSA-N 0 3 295.386 2.907 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000344718073 382273475 /nfs/dbraw/zinc/27/34/75/382273475.db2.gz DHWKZCORNVECJN-YOEHRIQHSA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)[C@@H](C)[C@H]1C ZINC000419390723 382313464 /nfs/dbraw/zinc/31/34/64/382313464.db2.gz IVMHYOOUWIZEQJ-PMPSAXMXSA-N 0 3 299.418 2.910 20 30 CFEDHN C=C(C)CCN1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000352413110 382317412 /nfs/dbraw/zinc/31/74/12/382317412.db2.gz LVUGUCWXPJCULH-QZTJIDSGSA-N 0 3 286.419 2.538 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@H](CC)c1ccccc1 ZINC000293939288 382344978 /nfs/dbraw/zinc/34/49/78/382344978.db2.gz ITLORRFRTHCAOC-INIZCTEOSA-N 0 3 286.419 2.642 20 30 CFEDHN COc1ccc(C2(NC(=O)C(C)C#N)CCCC2)cc1 ZINC000357787339 382322630 /nfs/dbraw/zinc/32/26/30/382322630.db2.gz HCMYXNHYSGDBOY-GFCCVEGCSA-N 0 3 272.348 2.740 20 30 CFEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc2c(c1)NC(=O)CO2 ZINC000345919983 382322746 /nfs/dbraw/zinc/32/27/46/382322746.db2.gz ATQGIVBSRPVUTE-LLVKDONJSA-N 0 3 287.363 2.608 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302829176 382329606 /nfs/dbraw/zinc/32/96/06/382329606.db2.gz JMDGXAMZVWPLRV-KGLIPLIRSA-N 0 3 282.391 2.962 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cncc(F)c1 ZINC000346229840 382337384 /nfs/dbraw/zinc/33/73/84/382337384.db2.gz WLJXEQFLDAENLI-LBPRGKRZSA-N 0 3 294.289 2.597 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)CC2)CC1 ZINC000188092996 382342690 /nfs/dbraw/zinc/34/26/90/382342690.db2.gz AVRQSRHNTJVBCI-LSDHHAIUSA-N 0 3 293.455 2.905 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187926335 382300263 /nfs/dbraw/zinc/30/02/63/382300263.db2.gz JCAMEMRHSFYOKV-DYVFJYSZSA-N 0 3 288.391 2.550 20 30 CFEDHN CN1CC[C@@H]2CCN(c3cc(C#N)c4ccccc4n3)[C@H]2C1 ZINC000364988429 382359378 /nfs/dbraw/zinc/35/93/78/382359378.db2.gz OAODIZIBHYDTQC-DYVFJYSZSA-N 0 3 292.386 2.637 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](O)CC2)c1 ZINC000293978419 382363658 /nfs/dbraw/zinc/36/36/58/382363658.db2.gz KSJWBPBTEVWANT-OAHLLOKOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OCc1cccnc1 ZINC000680484192 542330250 /nfs/dbraw/zinc/33/02/50/542330250.db2.gz GTRRZBAGQVFUCQ-QGZVFWFLSA-N 0 3 298.386 2.687 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000365254907 382366499 /nfs/dbraw/zinc/36/64/99/382366499.db2.gz IQPMQEXLTXZJRJ-CQSZACIVSA-N 0 3 276.355 2.946 20 30 CFEDHN C=CCCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC000365376397 382383566 /nfs/dbraw/zinc/38/35/66/382383566.db2.gz BPXHYNQKZRAJMU-UONOGXRCSA-N 0 3 280.412 2.894 20 30 CFEDHN Cc1nocc1CNCCSCc1ccccc1C#N ZINC000294033702 382388634 /nfs/dbraw/zinc/38/86/34/382388634.db2.gz IEFJVIBXEAPBKP-UHFFFAOYSA-N 0 3 287.388 2.878 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCC[C@H]1O ZINC000352667514 382442358 /nfs/dbraw/zinc/44/23/58/382442358.db2.gz KXIPAQRHDOWFKP-QWHCGFSZSA-N 0 3 296.317 2.505 20 30 CFEDHN C=CCOc1ccc(CN(CC)CCO)cc1Cl ZINC000305725829 382442632 /nfs/dbraw/zinc/44/26/32/382442632.db2.gz GQDGPKPQYFZICF-UHFFFAOYSA-N 0 3 269.772 2.719 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000358084247 382443783 /nfs/dbraw/zinc/44/37/83/382443783.db2.gz DSYDUUUFWAVBSG-GZMMTYOYSA-N 0 3 297.280 2.622 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)CC1CCCC1 ZINC000188632309 382445412 /nfs/dbraw/zinc/44/54/12/382445412.db2.gz WBBJHXAICNUQTG-KRWDZBQOSA-N 0 3 272.392 2.931 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000346557396 382411594 /nfs/dbraw/zinc/41/15/94/382411594.db2.gz SJZHSQGDURKUSJ-ZIAGYGMSSA-N 0 3 296.480 2.627 20 30 CFEDHN CC(C)CN1CCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352803121 382474781 /nfs/dbraw/zinc/47/47/81/382474781.db2.gz VBIRHBKSKZQZIA-CQSZACIVSA-N 0 3 292.452 2.615 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(C)COC1 ZINC000352917761 382482685 /nfs/dbraw/zinc/48/26/85/382482685.db2.gz YNXDFMUACZCVPV-UHFFFAOYSA-N 0 3 277.412 2.879 20 30 CFEDHN CC(C)(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000308667180 382484128 /nfs/dbraw/zinc/48/41/28/382484128.db2.gz KWJMPKUXBOTTLE-UHFFFAOYSA-N 0 3 288.351 2.753 20 30 CFEDHN CCN1CCCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000366196126 382484144 /nfs/dbraw/zinc/48/41/44/382484144.db2.gz WQESZOTXZQEBJP-UHFFFAOYSA-N 0 3 294.402 2.947 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H]1C(C)C ZINC000353052198 382489943 /nfs/dbraw/zinc/48/99/43/382489943.db2.gz OUYAZNPSLLMCHH-IRXDYDNUSA-N 0 3 289.419 2.885 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353066760 382490266 /nfs/dbraw/zinc/49/02/66/382490266.db2.gz CHADZPCZTNKHHD-SJLPKXTDSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420902718 382491481 /nfs/dbraw/zinc/49/14/81/382491481.db2.gz MZRBRRBVBQWWTH-UHFFFAOYSA-N 0 3 286.419 2.693 20 30 CFEDHN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(CCCC#N)C1 ZINC000420995874 382502294 /nfs/dbraw/zinc/50/22/94/382502294.db2.gz AGAWPJWEPSLHOZ-CHWSQXEVSA-N 0 3 266.385 2.590 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1ccc(C#N)cc1Cl ZINC000294909020 382543525 /nfs/dbraw/zinc/54/35/25/382543525.db2.gz GCKCODOVXASIES-CYBMUJFWSA-N 0 3 289.810 2.817 20 30 CFEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1Cl)C1CC1 ZINC000294955564 382548758 /nfs/dbraw/zinc/54/87/58/382548758.db2.gz YQWFKTONDHBZTE-OAHLLOKOSA-N 0 3 292.810 2.553 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000358290949 382550039 /nfs/dbraw/zinc/55/00/39/382550039.db2.gz FKGVPSOTUPWVKK-WDEREUQCSA-N 0 3 262.353 2.879 20 30 CFEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@H](O)C1CCCCC1 ZINC000328598292 382551581 /nfs/dbraw/zinc/55/15/81/382551581.db2.gz BBWMZLLRKMNUGQ-GDBMZVCRSA-N 0 3 294.439 2.901 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2(C)CCCC2)CC1 ZINC000358294221 382552459 /nfs/dbraw/zinc/55/24/59/382552459.db2.gz BVSMXDBKWFHZCC-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C)N1CCCCC1 ZINC000328610218 382552979 /nfs/dbraw/zinc/55/29/79/382552979.db2.gz NMOLNYVDURQEBH-GZBFAFLISA-N 0 3 295.427 2.961 20 30 CFEDHN C#CCN(C)CCCN[C@@H](CC(C)C)c1ccccn1 ZINC000294967641 382557056 /nfs/dbraw/zinc/55/70/56/382557056.db2.gz JTBMIXHWXVGOGK-KRWDZBQOSA-N 0 3 273.424 2.714 20 30 CFEDHN CC(=O)Nc1ccn([C@H]2CCN(Cc3cccs3)C2)n1 ZINC000328640548 382558538 /nfs/dbraw/zinc/55/85/38/382558538.db2.gz XLDPKIFKSJLZLE-LBPRGKRZSA-N 0 3 290.392 3.000 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2cc(Br)ccc21 ZINC000353563998 382560345 /nfs/dbraw/zinc/56/03/45/382560345.db2.gz GXTZLGCPMKCICN-OCCSQVGLSA-N 0 3 296.208 2.963 20 30 CFEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000680617201 542342687 /nfs/dbraw/zinc/34/26/87/542342687.db2.gz HZNADVMSTZNGRQ-AWEZNQCLSA-N 0 3 281.315 2.754 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000367308378 382564368 /nfs/dbraw/zinc/56/43/68/382564368.db2.gz OPLVHBUSXVBLLP-QGZVFWFLSA-N 0 3 265.360 2.702 20 30 CFEDHN CO[C@H]1CN(CCCOc2cccc(C#N)c2)CC[C@@H]1C ZINC000189252686 382575086 /nfs/dbraw/zinc/57/50/86/382575086.db2.gz FFDCPBCIOATPIH-YOEHRIQHSA-N 0 3 288.391 2.684 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)C2CCCCC2)s1 ZINC000386376160 382587826 /nfs/dbraw/zinc/58/78/26/382587826.db2.gz QUPPKKZIEAWEJK-CQSZACIVSA-N 0 3 264.394 2.651 20 30 CFEDHN C=CCCOCCN[C@H](Cc1ccccn1)c1cccnc1 ZINC000358368704 382591668 /nfs/dbraw/zinc/59/16/68/382591668.db2.gz OYPSKNRQHBGVAS-GOSISDBHSA-N 0 3 297.402 2.943 20 30 CFEDHN COc1cc(CN[C@@H]2CC23CCCC3)ccc1C#N ZINC000387317642 382597297 /nfs/dbraw/zinc/59/72/97/382597297.db2.gz QPRMNCVQUHXBJU-OAHLLOKOSA-N 0 3 256.349 2.989 20 30 CFEDHN CC[C@H](C)N1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000295281778 382607434 /nfs/dbraw/zinc/60/74/34/382607434.db2.gz BLLZJVCDNWKFAM-HNNXBMFYSA-N 0 3 274.383 2.593 20 30 CFEDHN Cc1nc(N[C@H]2CCN(C)[C@H](C)C2)c(Cl)cc1C#N ZINC000388657510 382608502 /nfs/dbraw/zinc/60/85/02/382608502.db2.gz AUFFGKSFLKUHDO-SKDRFNHKSA-N 0 3 278.787 2.810 20 30 CFEDHN CN(C)C1(CNc2ccc(C#N)cc2Br)CC1 ZINC000397879175 382634558 /nfs/dbraw/zinc/63/45/58/382634558.db2.gz XLNHVVNISIXUEP-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN Cn1cc(CNCc2ccc(OC(F)F)cc2)cc1C#N ZINC000189579223 382626391 /nfs/dbraw/zinc/62/63/91/382626391.db2.gz XYZJXGUHZSNRGU-UHFFFAOYSA-N 0 3 291.301 2.788 20 30 CFEDHN Cn1cc(CNCc2cccc(Cl)c2)cc1C#N ZINC000189592016 382628416 /nfs/dbraw/zinc/62/84/16/382628416.db2.gz FDLBGOGARRUNEI-UHFFFAOYSA-N 0 3 259.740 2.840 20 30 CFEDHN C[C@](O)(CCNCc1cccc(C#N)c1)c1ccccc1 ZINC000189843935 382642632 /nfs/dbraw/zinc/64/26/32/382642632.db2.gz HGKSKPNRLWQFFL-SFHVURJKSA-N 0 3 280.371 2.946 20 30 CFEDHN C=CCC1(C(=O)NCCN(C)Cc2ccccc2)CCC1 ZINC000189966121 382647721 /nfs/dbraw/zinc/64/77/21/382647721.db2.gz WLQSMEAMKPDIMX-UHFFFAOYSA-N 0 3 286.419 2.981 20 30 CFEDHN C=CCN1CCC(NCc2nccn2-c2ccccc2)CC1 ZINC000190977553 382687126 /nfs/dbraw/zinc/68/71/26/382687126.db2.gz VUHBGFSZXLPQKV-UHFFFAOYSA-N 0 3 296.418 2.612 20 30 CFEDHN C[C@H]1CSCCN(CCOc2cccc(C#N)c2)C1 ZINC000190471297 382670195 /nfs/dbraw/zinc/67/01/95/382670195.db2.gz WXEXGNRGHBMTMC-CYBMUJFWSA-N 0 3 276.405 2.622 20 30 CFEDHN CCOc1ccc(CNCc2cc(C#N)n(C)c2)cc1OC ZINC000190757969 382679968 /nfs/dbraw/zinc/67/99/68/382679968.db2.gz RNGKSLQOGMIWRH-UHFFFAOYSA-N 0 3 299.374 2.594 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)C#N ZINC000398168650 382635472 /nfs/dbraw/zinc/63/54/72/382635472.db2.gz NNNXBYBBGOGFDH-ZBFHGGJFSA-N 0 3 299.418 2.563 20 30 CFEDHN CC1(C)CCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000191306141 382698150 /nfs/dbraw/zinc/69/81/50/382698150.db2.gz KEGODRMEAKWLRS-LLVKDONJSA-N 0 3 277.393 2.727 20 30 CFEDHN Cn1cc(CNCC2([C@H](O)c3ccccc3)CC2)cc1C#N ZINC000191468809 382700801 /nfs/dbraw/zinc/70/08/01/382700801.db2.gz FPYPGGOUEHZWNR-QGZVFWFLSA-N 0 3 295.386 2.500 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)Cc1ccccc1 ZINC000192624706 382710750 /nfs/dbraw/zinc/71/07/50/382710750.db2.gz QWZMGDDUMDSEOK-SFHVURJKSA-N 0 3 280.371 2.594 20 30 CFEDHN C[C@](O)(CN[C@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000192890976 382713332 /nfs/dbraw/zinc/71/33/32/382713332.db2.gz XNJPQVSXDDWFEN-UBHSHLNASA-N 0 3 264.394 2.628 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1cnccn1)C(C)C ZINC000192903035 382713516 /nfs/dbraw/zinc/71/35/16/382713516.db2.gz SCYXTSORBKTOSQ-AWEZNQCLSA-N 0 3 260.385 2.587 20 30 CFEDHN CN(CCO[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000193040622 382714896 /nfs/dbraw/zinc/71/48/96/382714896.db2.gz HSAPJTIIVYZPFQ-INIZCTEOSA-N 0 3 274.364 2.533 20 30 CFEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C(C)C)CC1CCC1 ZINC000193210940 382716922 /nfs/dbraw/zinc/71/69/22/382716922.db2.gz ABUYLEJQMVWALV-MRXNPFEDSA-N 0 3 279.428 2.551 20 30 CFEDHN C[C@@H](O)CCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000336847351 382734041 /nfs/dbraw/zinc/73/40/41/382734041.db2.gz DPUZFHRPHPVMBM-CQSZACIVSA-N 0 3 288.391 2.562 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CCC2CCCCC2)C1=O ZINC000337125776 382764080 /nfs/dbraw/zinc/76/40/80/382764080.db2.gz FKRIOHBLPLPWMD-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](CC)c2ccc(C)cc2)C1=O ZINC000337183625 382772757 /nfs/dbraw/zinc/77/27/57/382772757.db2.gz NVQFYNIDVXPPEB-HZPDHXFCSA-N 0 3 272.392 2.823 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H](C(C)C)CC2)C1=O ZINC000337186336 382773267 /nfs/dbraw/zinc/77/32/67/382773267.db2.gz OXUPHIIXNHGSGG-CABCVRRESA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3cc(C)cc(C)c3)C2)C1=O ZINC000337205625 382776888 /nfs/dbraw/zinc/77/68/88/382776888.db2.gz KYOUVKGMUMBNPX-SJLPKXTDSA-N 0 3 298.430 2.880 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](c3ccc(C)cc3C)C2)C1=O ZINC000337233025 382781662 /nfs/dbraw/zinc/78/16/62/382781662.db2.gz KBJMMTVONFYKIK-FUHWJXTLSA-N 0 3 298.430 2.880 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@H](C)Cc2ccccc2C)C1=O ZINC000337249429 382785632 /nfs/dbraw/zinc/78/56/32/382785632.db2.gz QAUSIXKWVQTYTH-NVXWUHKLSA-N 0 3 286.419 2.645 20 30 CFEDHN CC(C)(C)[C@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337262284 382788714 /nfs/dbraw/zinc/78/87/14/382788714.db2.gz WOVMCAYZALTJAO-OAHLLOKOSA-N 0 3 294.439 2.834 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000337291770 382795405 /nfs/dbraw/zinc/79/54/05/382795405.db2.gz MTZHAJDTWZZOFO-OLZOCXBDSA-N 0 3 266.291 2.808 20 30 CFEDHN COc1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)ccc1C#N ZINC000337314520 382799610 /nfs/dbraw/zinc/79/96/10/382799610.db2.gz WQUYPQGUSKVCAG-OLZOCXBDSA-N 0 3 296.317 2.817 20 30 CFEDHN CCOc1cc(Cl)ccc1CNC(=O)C(C)C#N ZINC000337319321 382800717 /nfs/dbraw/zinc/80/07/17/382800717.db2.gz ADHXFEDNEMISBY-SECBINFHSA-N 0 3 266.728 2.515 20 30 CFEDHN CC(C#N)C(=O)NCCCc1c[nH]c2ccc(F)cc12 ZINC000337633707 382850268 /nfs/dbraw/zinc/85/02/68/382850268.db2.gz DHDDHJCZLVTJRZ-JTQLQIEISA-N 0 3 273.311 2.515 20 30 CFEDHN C=CCCOCCNCc1cnc(N(CC)CC)s1 ZINC000229880582 382853759 /nfs/dbraw/zinc/85/37/59/382853759.db2.gz ZFCBJTXLHOAWGY-UHFFFAOYSA-N 0 3 283.441 2.672 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC(C)(CC)CC1 ZINC000337683374 382855361 /nfs/dbraw/zinc/85/53/61/382855361.db2.gz JBKQMOWHAPBLBA-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC1(C)C ZINC000577802624 382870731 /nfs/dbraw/zinc/87/07/31/382870731.db2.gz DJVIPLFNKVWWKP-OAHLLOKOSA-N 0 3 275.392 2.639 20 30 CFEDHN N#Cc1cnn2cc(CN[C@@H]3C[C@H]3C3CCCCC3)cnc12 ZINC000577850738 382872875 /nfs/dbraw/zinc/87/28/75/382872875.db2.gz IRLANHGQYFEZEU-JKSUJKDBSA-N 0 3 295.390 2.659 20 30 CFEDHN COc1cc(CN(C)[C@H]2CCSC2)ccc1C#N ZINC000234938891 382875938 /nfs/dbraw/zinc/87/59/38/382875938.db2.gz XKALBPRUGDDRQR-ZDUSSCGKSA-N 0 3 262.378 2.504 20 30 CFEDHN COc1cc(CN[C@H]2CCCSC2)ccc1C#N ZINC000234953187 382876147 /nfs/dbraw/zinc/87/61/47/382876147.db2.gz DSYZAXCGDGWKDN-ZDUSSCGKSA-N 0 3 262.378 2.552 20 30 CFEDHN COCC[C@@H](NCc1ccc(C#N)o1)C(C)(C)C ZINC000337952602 382878265 /nfs/dbraw/zinc/87/82/65/382878265.db2.gz YQUYXUSWGOKORX-CYBMUJFWSA-N 0 3 250.342 2.692 20 30 CFEDHN C=CCC[C@H](O)CN1CCc2cc(OCC)ccc2C1 ZINC000441074259 382894562 /nfs/dbraw/zinc/89/45/62/382894562.db2.gz XNYWEWSRLJYBBN-INIZCTEOSA-N 0 3 275.392 2.771 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000495142316 382964271 /nfs/dbraw/zinc/96/42/71/382964271.db2.gz VXYJRPYKWQGLLI-HZPDHXFCSA-N 0 3 293.455 2.857 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCCc2nc(C(F)(F)F)cs2)C1 ZINC000442775028 382954560 /nfs/dbraw/zinc/95/45/60/382954560.db2.gz DZTOQJARZRPDBA-RKDXNWHRSA-N 0 3 289.326 2.986 20 30 CFEDHN N#CCCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000495049026 382955216 /nfs/dbraw/zinc/95/52/16/382955216.db2.gz RUJZRHLTVQLINR-ZDUSSCGKSA-N 0 3 261.373 2.710 20 30 CFEDHN CC(C)[C@@H]1C[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000456315503 382956401 /nfs/dbraw/zinc/95/64/01/382956401.db2.gz NCWVTRHIFVJQHC-IKGGRYGDSA-N 0 3 295.386 2.649 20 30 CFEDHN C=CCCC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000236757896 382914700 /nfs/dbraw/zinc/91/47/00/382914700.db2.gz SQOUPCGSYRVHQQ-OAHLLOKOSA-N 0 3 260.381 2.892 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H](N)CCCC)c1 ZINC000236816760 382920937 /nfs/dbraw/zinc/92/09/37/382920937.db2.gz YGAHAIZFLPEBSJ-CQSZACIVSA-N 0 3 262.353 2.707 20 30 CFEDHN Cc1ccc([C@H](Cn2ccnc2)NC(=O)C(C)C#N)c(C)c1 ZINC000442184467 382931031 /nfs/dbraw/zinc/93/10/31/382931031.db2.gz BXFKDADCVXVEPY-HOCLYGCPSA-N 0 3 296.374 2.517 20 30 CFEDHN C[C@H](C(=O)NC(C)(C)C)N(C)CCCCC(C)(C)C#N ZINC000444687535 382978143 /nfs/dbraw/zinc/97/81/43/382978143.db2.gz GSRNGANWVAJREG-CYBMUJFWSA-N 0 3 281.444 2.941 20 30 CFEDHN C=C(CC)CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721419 382979816 /nfs/dbraw/zinc/97/98/16/382979816.db2.gz FFMLQZCVAIFVFY-WDEREUQCSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@]1(CCC)C(=O)OCC ZINC000444780111 382980879 /nfs/dbraw/zinc/98/08/79/382980879.db2.gz MMGARBOIMFNXQX-HOCLYGCPSA-N 0 3 283.412 2.511 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N(CC)CC)CCCC1(C)C ZINC000444782514 382982346 /nfs/dbraw/zinc/98/23/46/382982346.db2.gz IXOUIVYSCRHQPW-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CC[C@@H]1N(C[C@H](C)CS(C)(=O)=O)CCCC1(C)C ZINC000444793174 382982632 /nfs/dbraw/zinc/98/26/32/382982632.db2.gz RHQVOTPVJVEBKT-KBPBESRZSA-N 0 3 287.469 2.734 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C(C)C)C1 ZINC000446735643 382991376 /nfs/dbraw/zinc/99/13/76/382991376.db2.gz PLOCRETWVQDTDF-HUUCEWRRSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCOc1cccc(CN[C@@]2(CCOC)CCOC2)c1 ZINC000447070968 382994200 /nfs/dbraw/zinc/99/42/00/382994200.db2.gz VQSMUODVYBNHFO-KRWDZBQOSA-N 0 3 291.391 2.537 20 30 CFEDHN C[C@@H](NCCC(=O)N1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000338363110 383004103 /nfs/dbraw/zinc/00/41/03/383004103.db2.gz RLAPXGZTMIPDIK-ZIAGYGMSSA-N 0 3 285.391 2.610 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2ccncc2)cc1 ZINC000245561439 383007785 /nfs/dbraw/zinc/00/77/85/383007785.db2.gz CDFBTWBPXIIONJ-ROUUACIJSA-N 0 3 293.370 2.824 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNc1nc2ccccn2c1C#N ZINC000447817332 383011038 /nfs/dbraw/zinc/01/10/38/383011038.db2.gz PXVUWYDSWYKFAL-CQSZACIVSA-N 0 3 297.406 2.738 20 30 CFEDHN COc1ccc(CN2CCC(CC#N)CC2)c(OC)c1 ZINC000542850951 382969593 /nfs/dbraw/zinc/96/95/93/382969593.db2.gz SAACVGACUVECMU-UHFFFAOYSA-N 0 3 274.364 2.829 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)C[C@@H](C)C1 ZINC000443636460 382969656 /nfs/dbraw/zinc/96/96/56/382969656.db2.gz BIPMOXUBAQIDBY-HUUCEWRRSA-N 0 3 266.429 2.779 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C)C[C@H](C)C1 ZINC000443636458 382969671 /nfs/dbraw/zinc/96/96/71/382969671.db2.gz BIPMOXUBAQIDBY-CABCVRRESA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC2(CCCCC2)CC1 ZINC000338723861 383029879 /nfs/dbraw/zinc/02/98/79/383029879.db2.gz BNBBQPFDXRTKIV-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN N#CCCCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495818842 383031895 /nfs/dbraw/zinc/03/18/95/383031895.db2.gz SRJKTUQBYFCBPQ-OAHLLOKOSA-N 0 3 293.411 2.813 20 30 CFEDHN CCCNC(=O)OC[C@H]1CCCCN1CCC(C)(C)C#N ZINC000495834048 383032357 /nfs/dbraw/zinc/03/23/57/383032357.db2.gz ACPSEHRSPMATHM-CQSZACIVSA-N 0 3 295.427 2.917 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@]2(C)CO)c1 ZINC000580383281 383079100 /nfs/dbraw/zinc/07/91/00/383079100.db2.gz GVHUSMLLDHRZCT-MRXNPFEDSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H](c2nccs2)C1 ZINC000246010403 383058980 /nfs/dbraw/zinc/05/89/80/383058980.db2.gz KYNHFZAWRDBUNS-OLZOCXBDSA-N 0 3 266.410 2.650 20 30 CFEDHN COc1ccc(C#N)cc1CN(CCO)[C@H]1CC[C@H](C)C1 ZINC000448511549 383061772 /nfs/dbraw/zinc/06/17/72/383061772.db2.gz UUXZSHPYJKROHX-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN CC[S@](=O)[C@H]1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000246353188 383073111 /nfs/dbraw/zinc/07/31/11/383073111.db2.gz MKPGXIJDEGWWOA-UHYGZKCKSA-N 0 3 296.461 2.789 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(C)C ZINC000246373072 383074475 /nfs/dbraw/zinc/07/44/75/383074475.db2.gz AMOLAJMGDKEHLO-VVLHAWIVSA-N 0 3 290.451 2.847 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC000245651960 383019458 /nfs/dbraw/zinc/01/94/58/383019458.db2.gz NBXXNJMJILODGN-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCOCCCN1CCCC[C@H]1COC(=O)NC(C)C ZINC000495745747 383021095 /nfs/dbraw/zinc/02/10/95/383021095.db2.gz BOZZKSDJZXVJAY-HNNXBMFYSA-N 0 3 298.427 2.568 20 30 CFEDHN C=CCN(CCc1ccnn1C)Cc1cccs1 ZINC000338545967 383021785 /nfs/dbraw/zinc/02/17/85/383021785.db2.gz HFXTXGMOCXKAGT-UHFFFAOYSA-N 0 3 261.394 2.712 20 30 CFEDHN C=CCCN(CCO)Cc1cccc(Br)c1 ZINC000338544154 383022581 /nfs/dbraw/zinc/02/25/81/383022581.db2.gz LQAZQPXAHLBFFR-UHFFFAOYSA-N 0 3 284.197 2.820 20 30 CFEDHN CCN(C)C(=O)OC[C@@H]1CCCCN1CCC(C)(C)C#N ZINC000495770696 383024876 /nfs/dbraw/zinc/02/48/76/383024876.db2.gz PAMKSEDRLVGILB-AWEZNQCLSA-N 0 3 295.427 2.869 20 30 CFEDHN C=CC(C)(C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000448980798 383121618 /nfs/dbraw/zinc/12/16/18/383121618.db2.gz CJKQMBGAMWGALG-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C2CCC(C(C)C)CC2)C1=O ZINC000499735748 383135455 /nfs/dbraw/zinc/13/54/55/383135455.db2.gz RSVNUMAFIOIJMJ-UYSNPLJNSA-N 0 3 278.440 2.920 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000501506968 383137758 /nfs/dbraw/zinc/13/77/58/383137758.db2.gz WPZTWVFPIJEMDP-CABCVRRESA-N 0 3 281.444 2.857 20 30 CFEDHN OC1([C@@H]2CCCCN2CC#Cc2ccc(F)cc2)CC1 ZINC000582227113 383086009 /nfs/dbraw/zinc/08/60/09/383086009.db2.gz QXQQFJCCURBFJQ-INIZCTEOSA-N 0 3 273.351 2.557 20 30 CFEDHN C=CCOCCN(CC=C)Cc1ccc(OC)cc1 ZINC000338919741 383086300 /nfs/dbraw/zinc/08/63/00/383086300.db2.gz GVXNDIXQXCSIIC-UHFFFAOYSA-N 0 3 261.365 2.886 20 30 CFEDHN C=CCC1(C(=O)NCCN2CC[C@@H](C)C2)CCCCC1 ZINC000582401147 383087251 /nfs/dbraw/zinc/08/72/51/383087251.db2.gz KRAVMQNZAMGDMW-OAHLLOKOSA-N 0 3 278.440 2.971 20 30 CFEDHN C=C(C)[C@H](CC(=O)N(CC)C[C@@H]1CCCN1CC)OCC ZINC000583583461 383090878 /nfs/dbraw/zinc/09/08/78/383090878.db2.gz JFNYZAFXKIZGRK-HOTGVXAUSA-N 0 3 296.455 2.691 20 30 CFEDHN CC[C@H](CNC[C@H](C#N)CCC#N)CC(F)(F)F ZINC000583683551 383092613 /nfs/dbraw/zinc/09/26/13/383092613.db2.gz LOLQYJXJQYLHBS-QWRGUYRKSA-N 0 3 261.291 2.998 20 30 CFEDHN C=CC(C)(C)C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000448837557 383102769 /nfs/dbraw/zinc/10/27/69/383102769.db2.gz UIQQKYBMTXEPGQ-UHFFFAOYSA-N 0 3 276.380 2.778 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(C)(C)C(C)(F)F)CC1 ZINC000448921416 383106814 /nfs/dbraw/zinc/10/68/14/383106814.db2.gz MTKMZRYMLNXLAG-UHFFFAOYSA-N 0 3 288.382 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCC(C)C)CC1 ZINC000448922329 383106893 /nfs/dbraw/zinc/10/68/93/383106893.db2.gz QIZALCUAQXNHEP-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@H](O)CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000247484932 383176805 /nfs/dbraw/zinc/17/68/05/383176805.db2.gz RENRQVZRZHSHNS-ROUUACIJSA-N 0 3 289.419 2.647 20 30 CFEDHN N#CCC1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565217877 383177816 /nfs/dbraw/zinc/17/78/16/383177816.db2.gz NEXDQSCTOLUIFV-CYBMUJFWSA-N 0 3 271.320 2.866 20 30 CFEDHN C=CCC(C)(C)C(=O)N(CC)C[C@@H]1CCCN1CC ZINC000565521618 383178960 /nfs/dbraw/zinc/17/89/60/383178960.db2.gz JKLQYCFFPHXZDK-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C[C@H](C)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000449196263 383184219 /nfs/dbraw/zinc/18/42/19/383184219.db2.gz XLHUBKUXOQIFIK-LBPRGKRZSA-N 0 3 257.337 2.545 20 30 CFEDHN Cc1cc(C#N)cnc1C(=O)Nc1ccccc1CN(C)C ZINC000566751456 383208523 /nfs/dbraw/zinc/20/85/23/383208523.db2.gz URJUWECHFNZBEV-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C=CCCCCN(CCO)Cc1cccc(F)c1 ZINC000556235210 383150605 /nfs/dbraw/zinc/15/06/05/383150605.db2.gz SZAATCFHKNFSGK-UHFFFAOYSA-N 0 3 251.345 2.976 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000563026829 383164790 /nfs/dbraw/zinc/16/47/90/383164790.db2.gz KHOAFYYWVTXYEU-NCOADZHNSA-N 0 3 293.370 2.545 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1(CF)CCC1 ZINC000563195786 383166244 /nfs/dbraw/zinc/16/62/44/383166244.db2.gz QSDRNXDEAZKYBW-AWEZNQCLSA-N 0 3 274.339 2.767 20 30 CFEDHN C[C@@H]1CCN(CCNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000567417299 383273314 /nfs/dbraw/zinc/27/33/14/383273314.db2.gz UCXNMBHSKWCUNS-CQSZACIVSA-N 0 3 299.418 2.559 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000424643933 383219118 /nfs/dbraw/zinc/21/91/18/383219118.db2.gz GQHSQCDKAGDSEO-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN COc1ccc(CNC2CCC(C)(C#N)CC2)c(OC)n1 ZINC000449340472 383227319 /nfs/dbraw/zinc/22/73/19/383227319.db2.gz WHPYGZUQACUCQO-UHFFFAOYSA-N 0 3 289.379 2.661 20 30 CFEDHN N#CC1(CNC2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC000339528676 383233079 /nfs/dbraw/zinc/23/30/79/383233079.db2.gz SACHNYJEROWCJO-UHFFFAOYSA-N 0 3 288.366 2.811 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CCC1 ZINC000248713443 383282429 /nfs/dbraw/zinc/28/24/29/383282429.db2.gz JOMCVVDPMYHNES-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCC(C)(C)CN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000634576677 383242955 /nfs/dbraw/zinc/24/29/55/383242955.db2.gz XQBJYSMMXJSKCO-HNNXBMFYSA-N 0 3 292.398 2.804 20 30 CFEDHN C=CCCCCN(C)CC(=O)NCc1cccs1 ZINC000519864334 383242970 /nfs/dbraw/zinc/24/29/70/383242970.db2.gz XCOIKRXTNLICMX-UHFFFAOYSA-N 0 3 266.410 2.652 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000449493074 383330057 /nfs/dbraw/zinc/33/00/57/383330057.db2.gz KOYWSBRMSKUBPA-BBRMVZONSA-N 0 3 258.365 2.805 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(CCOC2)C1 ZINC000249261323 383335671 /nfs/dbraw/zinc/33/56/71/383335671.db2.gz HSVHDJNHLLMVLA-CZUORRHYSA-N 0 3 256.349 2.732 20 30 CFEDHN Cc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)c(C#N)cn1 ZINC000425200274 383339355 /nfs/dbraw/zinc/33/93/55/383339355.db2.gz KJSJNEXKIZOSTG-KRWDZBQOSA-N 0 3 298.365 2.538 20 30 CFEDHN CC[C@H](CNc1c(C#N)cccc1[N+](=O)[O-])N1CCCC1 ZINC000425207067 383339901 /nfs/dbraw/zinc/33/99/01/383339901.db2.gz MFBFIFHJAKCERH-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCCC[C@@H](C)N(C)[C@H]1CCCCN(C)C1=O ZINC000634743008 383341917 /nfs/dbraw/zinc/34/19/17/383341917.db2.gz GKJNIQKKPCVHEB-KGLIPLIRSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCN1CCC(Nc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425222063 383342769 /nfs/dbraw/zinc/34/27/69/383342769.db2.gz GFMDZLDXBQUDSO-UHFFFAOYSA-N 0 3 286.335 2.529 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000248746272 383287115 /nfs/dbraw/zinc/28/71/15/383287115.db2.gz FMPWJGOCKOLMOJ-HLLBOEOZSA-N 0 3 297.402 2.854 20 30 CFEDHN C#CCCCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248800415 383291436 /nfs/dbraw/zinc/29/14/36/383291436.db2.gz JQDJADATAIERKP-SJLPKXTDSA-N 0 3 298.430 2.817 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2COc3ccccc3C2)C1 ZINC000248846678 383297647 /nfs/dbraw/zinc/29/76/47/383297647.db2.gz OHBVXQZFOGQOPS-VHDGCEQUSA-N 0 3 256.349 2.662 20 30 CFEDHN CO[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC[C@H]1C ZINC000248883803 383302978 /nfs/dbraw/zinc/30/29/78/383302978.db2.gz DODVARXCKXFYSR-XJKCOSOUSA-N 0 3 258.365 2.976 20 30 CFEDHN Cc1ccc(OC[C@@H](O)CNCC(C)(C)CC#N)c(C)c1 ZINC000568384549 383396018 /nfs/dbraw/zinc/39/60/18/383396018.db2.gz MSQGMDFYTVNKQB-HNNXBMFYSA-N 0 3 290.407 2.573 20 30 CFEDHN CC(C)c1nnc(CCN[C@H]2CCC[C@@H](C#N)C2)s1 ZINC000426327863 383396716 /nfs/dbraw/zinc/39/67/16/383396716.db2.gz AXDOZFIFAWIHLL-NEPJUHHUSA-N 0 3 278.425 2.876 20 30 CFEDHN C=CCCCCN1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000568474742 383405661 /nfs/dbraw/zinc/40/56/61/383405661.db2.gz ODYBEURDCLTLFL-ZNMIVQPWSA-N 0 3 253.386 2.611 20 30 CFEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(C#N)c1 ZINC000449515289 383350328 /nfs/dbraw/zinc/35/03/28/383350328.db2.gz YTGPFKYCCZSINR-CVEARBPZSA-N 0 3 286.375 2.770 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OC(F)F)c1 ZINC000449520762 383352479 /nfs/dbraw/zinc/35/24/79/383352479.db2.gz QAHOXJXXDZLTSK-NEPJUHHUSA-N 0 3 299.317 2.730 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449523713 383352559 /nfs/dbraw/zinc/35/25/59/383352559.db2.gz YDZZBCNBMJQJIZ-LGVMCUBASA-N 0 3 274.320 2.541 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNc1ccnc2ccc(C)cc21 ZINC000425264904 383353084 /nfs/dbraw/zinc/35/30/84/383353084.db2.gz ROEGAGAOXLSDBJ-GUYCJALGSA-N 0 3 268.360 2.968 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)cs1 ZINC000449520804 383353509 /nfs/dbraw/zinc/35/35/09/383353509.db2.gz QIYZXNHKDDVEDS-MNOVXSKESA-N 0 3 288.210 2.944 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(Br)cn1 ZINC000449546770 383354168 /nfs/dbraw/zinc/35/41/68/383354168.db2.gz DSCXPDOIJZFLRS-OLZOCXBDSA-N 0 3 297.196 2.667 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(C(C)C)s1 ZINC000449696057 383360986 /nfs/dbraw/zinc/36/09/86/383360986.db2.gz GZAPZWFZUOLJTH-NSHDSACASA-N 0 3 254.399 2.683 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000449697110 383361912 /nfs/dbraw/zinc/36/19/12/383361912.db2.gz KCZSBYFZTLSCAZ-LLVKDONJSA-N 0 3 278.377 2.820 20 30 CFEDHN C=CCC1(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CCCC1 ZINC000449885928 383369314 /nfs/dbraw/zinc/36/93/14/383369314.db2.gz IEFVRSPSETYQSX-LSDHHAIUSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCCCN1CCN(CCOC)[C@H](CCC)C1 ZINC000568183737 383371155 /nfs/dbraw/zinc/37/11/55/383371155.db2.gz WDKBZBQOUVVJLW-MRXNPFEDSA-N 0 3 268.445 2.775 20 30 CFEDHN C=CCC1(C(=O)N(CCC)CCN(C)C)CCCC1 ZINC000449970318 383374537 /nfs/dbraw/zinc/37/45/37/383374537.db2.gz HILQRAIEQKZDPW-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553637 383384963 /nfs/dbraw/zinc/38/49/63/383384963.db2.gz UAHSRPQLKUVTME-BZUAXINKSA-N 0 3 295.810 2.775 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000475740233 383387253 /nfs/dbraw/zinc/38/72/53/383387253.db2.gz BJSXKHXWUJOVFF-KFWWJZLASA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1(CC)CC1)C(C)C ZINC000487639117 383481006 /nfs/dbraw/zinc/48/10/06/383481006.db2.gz KYORSUMKWIBDFN-HNNXBMFYSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCC[C@@H](NCCC(=O)NCCC)c1ccco1 ZINC000428234964 383432396 /nfs/dbraw/zinc/43/23/96/383432396.db2.gz FNBNQFUAKXZQRA-CYBMUJFWSA-N 0 3 264.369 2.793 20 30 CFEDHN C[C@H](O)[C@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000526942470 383440287 /nfs/dbraw/zinc/44/02/87/383440287.db2.gz WSZOKUQMYYPNCY-XEZPLFJOSA-N 0 3 258.365 2.712 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2cc(F)ccc2o1 ZINC000634984392 383442672 /nfs/dbraw/zinc/44/26/72/383442672.db2.gz QPEIGVUKINJLLJ-GWCFXTLKSA-N 0 3 276.311 2.648 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000483259022 383443456 /nfs/dbraw/zinc/44/34/56/383443456.db2.gz ZGLZQBADFWGREO-PBHICJAKSA-N 0 3 291.439 2.553 20 30 CFEDHN CC[C@@]1(C(C)C)C[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000568885213 383447960 /nfs/dbraw/zinc/44/79/60/383447960.db2.gz WIUHKXVGQZKTPB-HOCLYGCPSA-N 0 3 283.379 2.515 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1F)C(C)(C)O ZINC000340504887 383448057 /nfs/dbraw/zinc/44/80/57/383448057.db2.gz QZBBPDPGZSBXHT-HZMBPMFUSA-N 0 3 264.344 2.897 20 30 CFEDHN CC(C)(C)[C@@H](CCO)NCc1cccc(F)c1C#N ZINC000428354014 383457329 /nfs/dbraw/zinc/45/73/29/383457329.db2.gz XQLDILUFYWJNGW-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN CN(CC1(C#N)CCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000450583483 383470236 /nfs/dbraw/zinc/47/02/36/383470236.db2.gz MFDHCCMZZJMMLU-QGZVFWFLSA-N 0 3 283.419 2.887 20 30 CFEDHN C[C@]1(CNCc2cccc(C#N)c2)COc2ccccc2O1 ZINC000527733952 383470690 /nfs/dbraw/zinc/47/06/90/383470690.db2.gz HSBMSMJXUUPLNL-SFHVURJKSA-N 0 3 294.354 2.878 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC000450707952 383483428 /nfs/dbraw/zinc/48/34/28/383483428.db2.gz MGEJDUQRUJKLRC-ZBFHGGJFSA-N 0 3 272.392 2.777 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)CC1CCN(C)CC1 ZINC000487219919 383477980 /nfs/dbraw/zinc/47/79/80/383477980.db2.gz YYDJUTDHSBVPFP-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN COCC[C@@H]1CCCCN(CC2(C#N)CCC2)C1 ZINC000450760149 383486791 /nfs/dbraw/zinc/48/67/91/383486791.db2.gz QTEBBAXEFNYXCW-AWEZNQCLSA-N 0 3 250.386 2.819 20 30 CFEDHN N#CC1(CN(CCO)CC2CCCCC2)CCC1 ZINC000450765406 383487092 /nfs/dbraw/zinc/48/70/92/383487092.db2.gz RGJNTPUWDJCZAP-UHFFFAOYSA-N 0 3 250.386 2.555 20 30 CFEDHN CN1CC[C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@@H]21 ZINC000450774745 383488104 /nfs/dbraw/zinc/48/81/04/383488104.db2.gz DOWGHJWIKAEENX-RISCZKNCSA-N 0 3 295.308 2.717 20 30 CFEDHN C=CCC1(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CCCC1 ZINC000450795458 383493998 /nfs/dbraw/zinc/49/39/98/383493998.db2.gz OGKLTVCHFSENLC-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN Cc1c(C#N)c(N[C@H]2CCN(C)[C@@H](C)C2)nc2ccccc12 ZINC000569917521 383550181 /nfs/dbraw/zinc/55/01/81/383550181.db2.gz BFQDJJKQDGMWIZ-JSGCOSHPSA-N 0 3 294.402 2.731 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C1CCC1)C1CCC1 ZINC000429124160 383504946 /nfs/dbraw/zinc/50/49/46/383504946.db2.gz YOXPMUVSFSZDOC-UHFFFAOYSA-N 0 3 264.413 2.818 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)s1 ZINC000569595934 383518110 /nfs/dbraw/zinc/51/81/10/383518110.db2.gz RQDLZBPZPAHRGA-BLLLJJGKSA-N 0 3 286.400 2.874 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCC2(C#N)CC2)C1(CC)CC ZINC000429356719 383522573 /nfs/dbraw/zinc/52/25/73/383522573.db2.gz UQVUVXIMUWZCJY-CHWSQXEVSA-N 0 3 250.386 2.864 20 30 CFEDHN N#CC1(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000450904631 383544845 /nfs/dbraw/zinc/54/48/45/383544845.db2.gz MLEJYKIUQORXBO-ZNMIVQPWSA-N 0 3 262.397 2.696 20 30 CFEDHN N#CCC1(CNCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000430020545 383584277 /nfs/dbraw/zinc/58/42/77/383584277.db2.gz HFCYZTSMISRDFZ-UHFFFAOYSA-N 0 3 266.348 2.860 20 30 CFEDHN Cc1cc(CN(C)CCCNC(=O)C2CCC2)ccc1C#N ZINC000488995426 383590128 /nfs/dbraw/zinc/59/01/28/383590128.db2.gz USZJRIAUCUHMFH-UHFFFAOYSA-N 0 3 299.418 2.605 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC(C)=C[C@H](C)C1 ZINC000430268224 383592543 /nfs/dbraw/zinc/59/25/43/383592543.db2.gz MGNRAXOKPGOGDR-DZGCQCFKSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1csc([C@@H](C)OC)n1 ZINC000429718530 383562622 /nfs/dbraw/zinc/56/26/22/383562622.db2.gz SGZMQTNNXMXHSB-CYBMUJFWSA-N 0 3 297.468 2.790 20 30 CFEDHN CN(CCOc1ccccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000429710170 383562879 /nfs/dbraw/zinc/56/28/79/383562879.db2.gz VCKQJVVUUFWSSD-OLZOCXBDSA-N 0 3 262.328 2.829 20 30 CFEDHN C=CCCCCNCCS(=O)(=O)c1ccc(F)cc1 ZINC000570038700 383563717 /nfs/dbraw/zinc/56/37/17/383563717.db2.gz HZAFBGPCAAKUFZ-UHFFFAOYSA-N 0 3 285.384 2.545 20 30 CFEDHN C[C@H]1CC[C@H](N(CCO)Cc2cc(C#N)ccc2F)C1 ZINC000429774213 383569084 /nfs/dbraw/zinc/56/90/84/383569084.db2.gz MNRTWMDLJBDILB-WFASDCNBSA-N 0 3 276.355 2.680 20 30 CFEDHN CO[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451549418 383642240 /nfs/dbraw/zinc/64/22/40/383642240.db2.gz SXQWLWDEFCVMEB-HEHGZKQESA-N 0 3 258.365 2.976 20 30 CFEDHN CO[C@@](C)(CNCc1ccc(C#N)c(F)c1)C1CC1 ZINC000404101840 532999258 /nfs/dbraw/zinc/99/92/58/532999258.db2.gz DNBLHKPVDJFQAX-HNNXBMFYSA-N 0 3 262.328 2.602 20 30 CFEDHN CC[C@H]1CC[C@H](N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000431108886 383630523 /nfs/dbraw/zinc/63/05/23/383630523.db2.gz PWNQCIYAPQUHKP-DAXOMENPSA-N 0 3 285.391 2.643 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cccc(C#N)c1F ZINC000528768531 383631821 /nfs/dbraw/zinc/63/18/21/383631821.db2.gz WGORBJSGUMBBNB-KIGUWFBYSA-N 0 3 262.328 2.599 20 30 CFEDHN Cc1ccccc1C[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000528915457 383676201 /nfs/dbraw/zinc/67/62/01/383676201.db2.gz NQILPFSXKZZGBV-GDBMZVCRSA-N 0 3 298.386 2.505 20 30 CFEDHN CCCCN(CCOC)Cc1ccc(OCC#N)cc1 ZINC000264540653 383752110 /nfs/dbraw/zinc/75/21/10/383752110.db2.gz BPTWUXXWXAUHCT-UHFFFAOYSA-N 0 3 276.380 2.837 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2ccccc2)C1 ZINC000433048526 383754265 /nfs/dbraw/zinc/75/42/65/383754265.db2.gz NMNNDCMJZNPLDQ-HOCLYGCPSA-N 0 3 272.392 2.557 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000411954226 533007012 /nfs/dbraw/zinc/00/70/12/533007012.db2.gz SVKBFLIERRHFTK-BZNIZROVSA-N 0 3 276.355 2.991 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCc1ccco1 ZINC000433113927 383754873 /nfs/dbraw/zinc/75/48/73/383754873.db2.gz FWUNJTWUEVWJMY-CQSZACIVSA-N 0 3 268.316 2.668 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000435737166 383779244 /nfs/dbraw/zinc/77/92/44/383779244.db2.gz FKFGMEHXBANUKA-MAUKXSAKSA-N 0 3 297.402 2.943 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC=CCC1 ZINC000433351224 383761307 /nfs/dbraw/zinc/76/13/07/383761307.db2.gz GNJNMRLUHSOWMQ-HOTGVXAUSA-N 0 3 268.360 2.984 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)CCc2ccccc2)C1 ZINC000433375822 383761548 /nfs/dbraw/zinc/76/15/48/383761548.db2.gz LWHSQNZEAKLQFG-HIFRSBDPSA-N 0 3 256.349 2.627 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC=CCC1 ZINC000433351227 383761843 /nfs/dbraw/zinc/76/18/43/383761843.db2.gz GNJNMRLUHSOWMQ-JKSUJKDBSA-N 0 3 268.360 2.984 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530026310 383763445 /nfs/dbraw/zinc/76/34/45/383763445.db2.gz HZYWGDPXCKZMCT-GOEBONIOSA-N 0 3 264.413 2.722 20 30 CFEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000264619626 383763671 /nfs/dbraw/zinc/76/36/71/383763671.db2.gz RHLIEZUOVYMWEH-INIZCTEOSA-N 0 3 298.390 2.650 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433900769 383764191 /nfs/dbraw/zinc/76/41/91/383764191.db2.gz JUDWDOAJKQMFBW-OAHLLOKOSA-N 0 3 279.428 2.659 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2ccc(C#N)cc2F)C12CCC2 ZINC000453098643 383764934 /nfs/dbraw/zinc/76/49/34/383764934.db2.gz JSDGYCKQWKTHEX-LSDHHAIUSA-N 0 3 274.339 2.745 20 30 CFEDHN CC1(C)CCC[C@H]1CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000530126051 383767011 /nfs/dbraw/zinc/76/70/11/383767011.db2.gz OASUWMRWGHOAQB-JKSUJKDBSA-N 0 3 299.418 2.891 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000572254363 383767513 /nfs/dbraw/zinc/76/75/13/383767513.db2.gz MMTQEWQFWKUHGK-OAHLLOKOSA-N 0 3 281.444 2.857 20 30 CFEDHN CC(C)[C@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000264739451 383778442 /nfs/dbraw/zinc/77/84/42/383778442.db2.gz JKJRFIQYXDDULF-INIZCTEOSA-N 0 3 285.391 2.560 20 30 CFEDHN C#CCOc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1 ZINC000264933583 383804148 /nfs/dbraw/zinc/80/41/48/383804148.db2.gz BYRATLLLJYFKFD-QGZVFWFLSA-N 0 3 295.386 2.599 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(C)C)C2)CC1 ZINC000435980891 383782461 /nfs/dbraw/zinc/78/24/61/383782461.db2.gz UKGTYTHYGDMJHP-HNNXBMFYSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC[C@H](CC)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000280984534 195058015 /nfs/dbraw/zinc/05/80/15/195058015.db2.gz IPINUDKZSWRZME-GOEBONIOSA-N 0 3 272.392 2.951 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc2ccccc2c1 ZINC000264904451 383799377 /nfs/dbraw/zinc/79/93/77/383799377.db2.gz XBYIJURWDVHDSP-AWEZNQCLSA-N 0 3 280.371 2.630 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000453209556 383801370 /nfs/dbraw/zinc/80/13/70/383801370.db2.gz DDODTJAVPJORJI-ZIAGYGMSSA-N 0 3 274.339 2.745 20 30 CFEDHN N#Cc1ccc2ncc(CNCCOCC3CCCC3)n2c1 ZINC000453581869 383858525 /nfs/dbraw/zinc/85/85/25/383858525.db2.gz IDPGBUZJBBXFIA-UHFFFAOYSA-N 0 3 298.390 2.502 20 30 CFEDHN C=CCCC(=O)N1c2ccccc2CC[C@H]1CN(C)C ZINC000436719256 383880883 /nfs/dbraw/zinc/88/08/83/383880883.db2.gz CNMUXSJPPLBNTF-HNNXBMFYSA-N 0 3 272.392 2.862 20 30 CFEDHN CC1CCN(CCSc2cccnc2C#N)CC1 ZINC000572899777 383835326 /nfs/dbraw/zinc/83/53/26/383835326.db2.gz KWHUKFZKLQIREE-UHFFFAOYSA-N 0 3 261.394 2.777 20 30 CFEDHN C=CC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265310195 383891470 /nfs/dbraw/zinc/89/14/70/383891470.db2.gz FAYNATGDWQXJIH-HNNXBMFYSA-N 0 3 286.419 2.979 20 30 CFEDHN CCC(CC)N(CC(=O)N(CC)C[C@@H](C)C#N)C1CC1 ZINC000532352454 384015968 /nfs/dbraw/zinc/01/59/68/384015968.db2.gz AICYUFFYEZNYAL-ZDUSSCGKSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CCCCCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000573980742 384023515 /nfs/dbraw/zinc/02/35/15/384023515.db2.gz XZCBAJWGUWSWBY-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000637321700 384028748 /nfs/dbraw/zinc/02/87/48/384028748.db2.gz JNWXHGMDGWCFAR-KGLIPLIRSA-N 0 3 281.444 2.570 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCSC2)cc1OC ZINC000266150659 384096079 /nfs/dbraw/zinc/09/60/79/384096079.db2.gz KDKGLNYABQZAHW-CYBMUJFWSA-N 0 3 279.405 2.855 20 30 CFEDHN N#Cc1ccc(NCCN2CCC3(CCCCC3)CC2)nc1 ZINC000440661543 384120947 /nfs/dbraw/zinc/12/09/47/384120947.db2.gz CPDGPJOJGXAIHA-UHFFFAOYSA-N 0 3 298.434 2.833 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)o1)c1ccsc1 ZINC000266238454 384125359 /nfs/dbraw/zinc/12/53/59/384125359.db2.gz WJFALNCYICFPSC-CQSZACIVSA-N 0 3 275.377 2.605 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000637623582 384140001 /nfs/dbraw/zinc/14/00/01/384140001.db2.gz HXDRZWFPKRAQOZ-HUUCEWRRSA-N 0 3 295.471 2.960 20 30 CFEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266434306 384174196 /nfs/dbraw/zinc/17/41/96/384174196.db2.gz UVEIRFRDDQLMJT-UHFFFAOYSA-N 0 3 261.325 2.657 20 30 CFEDHN C=CCN1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000266419675 384171285 /nfs/dbraw/zinc/17/12/85/384171285.db2.gz RUXQCUDPKIMVHN-UHFFFAOYSA-N 0 3 259.328 2.760 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266967211 384272099 /nfs/dbraw/zinc/27/20/99/384272099.db2.gz YOZUOQDFLJLTQL-OAHLLOKOSA-N 0 3 266.348 2.661 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCCN2C2CC2)c(F)c1 ZINC000277471544 384312020 /nfs/dbraw/zinc/31/20/20/384312020.db2.gz KHCDDQSUNJUTKF-INIZCTEOSA-N 0 3 287.382 2.804 20 30 CFEDHN CO[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000267166293 384312786 /nfs/dbraw/zinc/31/27/86/384312786.db2.gz GXIVGENYCGADNZ-QWHCGFSZSA-N 0 3 250.367 2.667 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc2cc(OC)ccc2c1 ZINC000641768499 384334986 /nfs/dbraw/zinc/33/49/86/384334986.db2.gz AWDFMEBXLYQVOT-QGZVFWFLSA-N 0 3 283.371 2.712 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1F ZINC000277662507 384368310 /nfs/dbraw/zinc/36/83/10/384368310.db2.gz DWYKFOBFIXOWSP-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(Br)c(C)c1 ZINC000641767807 384334193 /nfs/dbraw/zinc/33/41/93/384334193.db2.gz RBAMQQAGNMAZBP-CYBMUJFWSA-N 0 3 296.208 2.621 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc2cc(OC)ccc2c1 ZINC000641768498 384334569 /nfs/dbraw/zinc/33/45/69/384334569.db2.gz AWDFMEBXLYQVOT-KRWDZBQOSA-N 0 3 283.371 2.712 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H]2CCCCN2C2CC2)n1 ZINC000277552318 384334842 /nfs/dbraw/zinc/33/48/42/384334842.db2.gz XUGQGEXSFYJRKO-OAHLLOKOSA-N 0 3 270.380 2.691 20 30 CFEDHN C=CC1CCN(Cc2cnc(CCOC)s2)CC1 ZINC000638072269 384394182 /nfs/dbraw/zinc/39/41/82/384394182.db2.gz LSKNBIKJKIVWKN-UHFFFAOYSA-N 0 3 266.410 2.730 20 30 CFEDHN C#Cc1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000289429749 197342717 /nfs/dbraw/zinc/34/27/17/197342717.db2.gz VLNIBMGHRVOGRW-UHFFFAOYSA-N 0 3 297.427 2.837 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000374633503 220324758 /nfs/dbraw/zinc/32/47/58/220324758.db2.gz VVMUQJVZKPZXFC-SJORKVTESA-N 0 3 286.375 2.614 20 30 CFEDHN Cc1cccc(CN(CCN(C)C)c2ccc(C#N)cn2)c1 ZINC000268366804 384615854 /nfs/dbraw/zinc/61/58/54/384615854.db2.gz XVQDKFCWLRUYSL-UHFFFAOYSA-N 0 3 294.402 2.830 20 30 CFEDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000279402786 384626316 /nfs/dbraw/zinc/62/63/16/384626316.db2.gz ZRJXOTFQYBDJKI-ZWNOBZJWSA-N 0 3 291.782 2.928 20 30 CFEDHN CC(C)(C#N)CCCN1CCc2ccccc2[C@H]1CO ZINC000268506080 384628169 /nfs/dbraw/zinc/62/81/69/384628169.db2.gz URHMEIGCVLSLGR-MRXNPFEDSA-N 0 3 272.392 2.908 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCN(CCc3ccccc3)CC2)C1 ZINC000278786692 384596923 /nfs/dbraw/zinc/59/69/23/384596923.db2.gz ZZDSXMTWRJWARN-ROUUACIJSA-N 0 3 283.419 2.539 20 30 CFEDHN C=CC(C)(C)CCNC(=O)c1cc2c(s1)CCNC2 ZINC000638454945 384672321 /nfs/dbraw/zinc/67/23/21/384672321.db2.gz OFEGAYZFEIBNFI-UHFFFAOYSA-N 0 3 278.421 2.726 20 30 CFEDHN C=CC(C)(C)CCNC(=O)c1cccc2c1CCNC2 ZINC000638454791 384673432 /nfs/dbraw/zinc/67/34/32/384673432.db2.gz KIJGUUJQPFCZHV-UHFFFAOYSA-N 0 3 272.392 2.664 20 30 CFEDHN C=CCC[C@H](NC(=O)N(C)CCN(C)C)c1ccccc1 ZINC000269491027 384766300 /nfs/dbraw/zinc/76/63/00/384766300.db2.gz SGEUADYQYVWBKS-INIZCTEOSA-N 0 3 289.423 2.897 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCOC2)cc1Cl ZINC000643802518 384767745 /nfs/dbraw/zinc/76/77/45/384767745.db2.gz KNWOUGRLDFSAIV-GFCCVEGCSA-N 0 3 267.756 2.783 20 30 CFEDHN C=CCC[C@@H](NC(=O)/C=C/CN(C)C)c1ccccc1 ZINC000269571567 384791862 /nfs/dbraw/zinc/79/18/62/384791862.db2.gz NOXJFQHHXGLZLX-LRFDDAOPSA-N 0 3 272.392 2.928 20 30 CFEDHN C=CCCOCC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000644123860 384866919 /nfs/dbraw/zinc/86/69/19/384866919.db2.gz LVOOQNZKHCJDOV-KRWDZBQOSA-N 0 3 298.386 2.549 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(Br)cn1 ZINC000280266145 384949794 /nfs/dbraw/zinc/94/97/94/384949794.db2.gz CMMVDZFRFVFAGJ-CMPLNLGQSA-N 0 3 299.212 2.822 20 30 CFEDHN C=C(CNC[C@H](O)COCc1ccccc1)c1ccccc1 ZINC000644647418 384975579 /nfs/dbraw/zinc/97/55/79/384975579.db2.gz ZFNYFTYSNJXUAR-IBGZPJMESA-N 0 3 297.398 2.867 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000280426292 385013073 /nfs/dbraw/zinc/01/30/73/385013073.db2.gz XEDZLFGYZKVUMZ-VXGBXAGGSA-N 0 3 280.799 2.724 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C2CC2)CC1 ZINC000644719717 385017426 /nfs/dbraw/zinc/01/74/26/385017426.db2.gz CQYZYNJBHFTIFB-AWEZNQCLSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN[C@H](C)c1ccc(Br)cn1 ZINC000280289445 384962368 /nfs/dbraw/zinc/96/23/68/384962368.db2.gz FASAQQCMWKFPMM-SECBINFHSA-N 0 3 253.143 2.518 20 30 CFEDHN CN1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000270304795 385048006 /nfs/dbraw/zinc/04/80/06/385048006.db2.gz QYKLTWBRXFZHAH-DOTOQJQBSA-N 0 3 278.359 2.811 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000280581855 385070251 /nfs/dbraw/zinc/07/02/51/385070251.db2.gz HPQHAOARLSVARF-HIFRSBDPSA-N 0 3 276.336 2.666 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Cl)cc(Cl)c1N ZINC000639044986 385119736 /nfs/dbraw/zinc/11/97/36/385119736.db2.gz RZJAQHQMWGTYHS-SNVBAGLBSA-N 0 3 275.179 2.602 20 30 CFEDHN C=CCCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280659689 385103504 /nfs/dbraw/zinc/10/35/04/385103504.db2.gz ZTPNJXLRKTWXQP-LLVKDONJSA-N 0 3 275.270 2.784 20 30 CFEDHN C#CCSCCNCc1ccnn1-c1ccccc1C ZINC000280769805 385147481 /nfs/dbraw/zinc/14/74/81/385147481.db2.gz DZVODSUTHCBXTL-UHFFFAOYSA-N 0 3 285.416 2.637 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1ccc(C#N)o1 ZINC000270640850 385172419 /nfs/dbraw/zinc/17/24/19/385172419.db2.gz JTXVDZMPZXCTBF-BDJLRTHQSA-N 0 3 288.322 2.892 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C2CC2)no1 ZINC000639144043 385246281 /nfs/dbraw/zinc/24/62/81/385246281.db2.gz GIPBKVKEDQYXBM-DOMZBBRYSA-N 0 3 262.353 2.623 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nc2ccccc2o1 ZINC000639145547 385247724 /nfs/dbraw/zinc/24/77/24/385247724.db2.gz NASJNAGHFJZJRJ-MLGOLLRUSA-N 0 3 272.348 2.899 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nc2ccccc2o1 ZINC000639145548 385248018 /nfs/dbraw/zinc/24/80/18/385248018.db2.gz NASJNAGHFJZJRJ-WBMJQRKESA-N 0 3 272.348 2.899 20 30 CFEDHN CN1CCC(Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000282445679 385312534 /nfs/dbraw/zinc/31/25/34/385312534.db2.gz SCAZHOBYGGSVNK-UHFFFAOYSA-N 0 3 299.296 2.963 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@](C)(CC)OC ZINC000639160982 385264079 /nfs/dbraw/zinc/26/40/79/385264079.db2.gz IHWLGKXGVAKPKK-MRXNPFEDSA-N 0 3 281.396 2.965 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000270900989 385264433 /nfs/dbraw/zinc/26/44/33/385264433.db2.gz OLXJCOGMVLRXIT-UHFFFAOYSA-N 0 3 288.391 2.551 20 30 CFEDHN C#C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)C(C)C ZINC000282273193 385266998 /nfs/dbraw/zinc/26/69/98/385266998.db2.gz WLSITZKBLAKJRA-QGZVFWFLSA-N 0 3 284.403 2.670 20 30 CFEDHN COc1cc(CN2CCC3(C2)CCOCC3)ccc1C#N ZINC000282307753 385279061 /nfs/dbraw/zinc/27/90/61/385279061.db2.gz MUPZVCJDNQADNX-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN C#CCCCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000270966098 385284754 /nfs/dbraw/zinc/28/47/54/385284754.db2.gz OUTXMAGLDJJNFF-AWEZNQCLSA-N 0 3 296.208 2.828 20 30 CFEDHN C#CCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270974491 385288332 /nfs/dbraw/zinc/28/83/32/385288332.db2.gz BGTSJAMGMKTFDO-UHFFFAOYSA-N 0 3 258.321 2.973 20 30 CFEDHN C#CCCCc1nc(-c2ccccc2OCCN(C)C)no1 ZINC000289088625 197232068 /nfs/dbraw/zinc/23/20/68/197232068.db2.gz OWGHADRRCVULPK-UHFFFAOYSA-N 0 3 299.374 2.633 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1N ZINC000639238953 385369542 /nfs/dbraw/zinc/36/95/42/385369542.db2.gz QEMZWISIMVVFBN-NSHDSACASA-N 0 3 289.206 2.992 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000347058843 533115968 /nfs/dbraw/zinc/11/59/68/533115968.db2.gz BWQGGFSRZLTWSI-IUCAKERBSA-N 0 3 268.263 2.625 20 30 CFEDHN C#CCCCN(CC)Cc1ccc(OC)cc1OC ZINC000271070601 385328263 /nfs/dbraw/zinc/32/82/63/385328263.db2.gz VPNUZQXQRYBDLM-UHFFFAOYSA-N 0 3 261.365 2.939 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2ccccc2o1 ZINC000639273358 385402398 /nfs/dbraw/zinc/40/23/98/385402398.db2.gz BMBOEYLOVPZGSL-AAEUAGOBSA-N 0 3 258.321 2.509 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(OC)c(O)cc1Cl ZINC000639274407 385404160 /nfs/dbraw/zinc/40/41/60/385404160.db2.gz JGAMVECGJQDUIW-HZMBPMFUSA-N 0 3 297.782 2.735 20 30 CFEDHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1ccc(C#N)c(F)c1 ZINC000271937463 385405490 /nfs/dbraw/zinc/40/54/90/385405490.db2.gz NRQFPXOWWOPMRG-NWDGAFQWSA-N 0 3 272.327 2.633 20 30 CFEDHN Cc1cc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)[nH]n1 ZINC000283003767 385422531 /nfs/dbraw/zinc/42/25/31/385422531.db2.gz KVIIZCNSKJJYGF-GFCCVEGCSA-N 0 3 270.336 2.562 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](c1ccccc1C)C1CC1 ZINC000272007824 385423716 /nfs/dbraw/zinc/42/37/16/385423716.db2.gz JLSOPDYRMLIEJM-BBRMVZONSA-N 0 3 272.392 2.726 20 30 CFEDHN C=CCOCCCNCc1cc(OC)c(O)cc1Cl ZINC000639317063 385442836 /nfs/dbraw/zinc/44/28/36/385442836.db2.gz PAZAXNRZMGIHFR-UHFFFAOYSA-N 0 3 285.771 2.737 20 30 CFEDHN C=CCNC(=O)CN[C@H](CCCC)c1ccccc1 ZINC000272098542 385447050 /nfs/dbraw/zinc/44/70/50/385447050.db2.gz YQHVZTCQCIKKNF-OAHLLOKOSA-N 0 3 260.381 2.810 20 30 CFEDHN C=CCCCCCNCc1cc2c(cn1)OCCO2 ZINC000639309762 385436157 /nfs/dbraw/zinc/43/61/57/385436157.db2.gz DUESUQKUZYSYLR-UHFFFAOYSA-N 0 3 262.353 2.689 20 30 CFEDHN C=CCCC(C)(C)CNCc1cn2cccnc2n1 ZINC000639380898 385497728 /nfs/dbraw/zinc/49/77/28/385497728.db2.gz JAIIRIWGAPWBCA-UHFFFAOYSA-N 0 3 258.369 2.811 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn2cc(C)ccc2n1 ZINC000283813877 385503232 /nfs/dbraw/zinc/50/32/32/385503232.db2.gz DIILEFMIDHIFQF-RHSMWYFYSA-N 0 3 285.391 2.714 20 30 CFEDHN C=CCN(CCC(=O)OC(C)C)CCc1ccco1 ZINC000272303905 385504005 /nfs/dbraw/zinc/50/40/05/385504005.db2.gz QFNSZVGXZIMVNF-UHFFFAOYSA-N 0 3 265.353 2.652 20 30 CFEDHN C=CCN(CCCn1ccnc1)CCc1ccco1 ZINC000272313966 385507857 /nfs/dbraw/zinc/50/78/57/385507857.db2.gz SCRKQLRENRSHGW-UHFFFAOYSA-N 0 3 259.353 2.597 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(C)(OC)CC1 ZINC000272411421 385530431 /nfs/dbraw/zinc/53/04/31/385530431.db2.gz ZIMUGWKQLIWVEY-UHFFFAOYSA-N 0 3 273.376 2.700 20 30 CFEDHN CC1(C)CC[C@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000284065512 385530986 /nfs/dbraw/zinc/53/09/86/385530986.db2.gz AMSSIXOXICYJSG-HZPDHXFCSA-N 0 3 297.402 2.832 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCCC[C@@H]1O ZINC000272449825 385540235 /nfs/dbraw/zinc/54/02/35/385540235.db2.gz BYYIOTZVFBDIIT-WBVHZDCISA-N 0 3 275.367 2.660 20 30 CFEDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(C#N)s1 ZINC000272367560 385520356 /nfs/dbraw/zinc/52/03/56/385520356.db2.gz ATUMYTLCIIIHPH-HIFRSBDPSA-N 0 3 292.404 2.831 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCCN2CCC[C@@H](C)C2)c1 ZINC000272502961 385554543 /nfs/dbraw/zinc/55/45/43/385554543.db2.gz LQEQURKKHGDUDH-CYBMUJFWSA-N 0 3 285.391 2.905 20 30 CFEDHN C=CCOCCN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000272512715 385555912 /nfs/dbraw/zinc/55/59/12/385555912.db2.gz GMBQTSVANYIONT-CYBMUJFWSA-N 0 3 279.380 2.865 20 30 CFEDHN C=CCC[C@H](NCCc1nc(C)no1)c1ccco1 ZINC000286163781 385566418 /nfs/dbraw/zinc/56/64/18/385566418.db2.gz PZHYSDPBPHTFJR-LBPRGKRZSA-N 0 3 261.325 2.811 20 30 CFEDHN C=CCC[C@@H](NCCc1nc(C)no1)c1ccco1 ZINC000286163775 385566480 /nfs/dbraw/zinc/56/64/80/385566480.db2.gz PZHYSDPBPHTFJR-GFCCVEGCSA-N 0 3 261.325 2.811 20 30 CFEDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ncc(C#N)cc1Cl ZINC000286269992 385580615 /nfs/dbraw/zinc/58/06/15/385580615.db2.gz DKHIASAPXMJWCS-FZMZJTMJSA-N 0 3 290.798 2.670 20 30 CFEDHN CN1CC[C@H](Nc2cc(C#N)ccn2)[C@H]1c1ccccc1 ZINC000286420124 385615964 /nfs/dbraw/zinc/61/59/64/385615964.db2.gz HFQSYMQDZPBCKM-DOTOQJQBSA-N 0 3 278.359 2.811 20 30 CFEDHN CN1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C(C)(C)C ZINC000639746590 385692061 /nfs/dbraw/zinc/69/20/61/385692061.db2.gz JNIIDNAOHUILQF-QGZVFWFLSA-N 0 3 288.410 2.839 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cc(OC)ncc1F ZINC000286993018 385757859 /nfs/dbraw/zinc/75/78/59/385757859.db2.gz JRUFWKARHJXHRB-MKBNYLNASA-N 0 3 294.370 2.861 20 30 CFEDHN C=C(C)CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275059127 385924062 /nfs/dbraw/zinc/92/40/62/385924062.db2.gz OXPJTIGWTPUXOD-UHFFFAOYSA-N 0 3 267.760 2.549 20 30 CFEDHN COc1ccc(CNC[C@H]2COc3ccccc32)cc1C#N ZINC000288576466 197116879 /nfs/dbraw/zinc/11/68/79/197116879.db2.gz NJEMTBYYIDJSCL-HNNXBMFYSA-N 0 3 294.354 2.833 20 30 CFEDHN C[C@@H](CO)N(Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000276435196 385989674 /nfs/dbraw/zinc/98/96/74/385989674.db2.gz KMKCFJDFXNPZDE-LBPRGKRZSA-N 0 3 276.355 2.823 20 30 CFEDHN C=CCC[C@@H](C(=O)N(C)CCN(C)C)c1ccccc1 ZINC000275104792 385934401 /nfs/dbraw/zinc/93/44/01/385934401.db2.gz DTARPNHSLNDRJT-MRXNPFEDSA-N 0 3 274.408 2.756 20 30 CFEDHN Cn1cc(CNC(C)(C)c2ccccc2)cc1C#N ZINC000276991511 386100834 /nfs/dbraw/zinc/10/08/34/386100834.db2.gz WMCMDYBHHMGWDH-UHFFFAOYSA-N 0 3 253.349 2.922 20 30 CFEDHN C=C(C)CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000277019254 386109974 /nfs/dbraw/zinc/10/99/74/386109974.db2.gz ZKZFWXYQUDNCDP-ZBFHGGJFSA-N 0 3 294.345 2.792 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000276943336 386086583 /nfs/dbraw/zinc/08/65/83/386086583.db2.gz KHJDCFPZQVYPHF-OAHLLOKOSA-N 0 3 289.375 2.796 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288409555 197070971 /nfs/dbraw/zinc/07/09/71/197070971.db2.gz WVKLXCXKXGQIKM-WMZOPIPTSA-N 0 3 298.430 2.959 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000288217145 197029688 /nfs/dbraw/zinc/02/96/88/197029688.db2.gz NDPVFRWKAFMUSD-NVXWUHKLSA-N 0 3 298.430 2.815 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288217149 197029504 /nfs/dbraw/zinc/02/95/04/197029504.db2.gz NDPVFRWKAFMUSD-RDJZCZTQSA-N 0 3 298.430 2.815 20 30 CFEDHN C=C(C)CCN(C)CC(=O)N(C)C1CCCCC1 ZINC000681398419 542448343 /nfs/dbraw/zinc/44/83/43/542448343.db2.gz FFETYZQCPYCPLR-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN COCC#CCN[C@H](C)c1ccc2ncsc2c1 ZINC000681595790 542466752 /nfs/dbraw/zinc/46/67/52/542466752.db2.gz UJUMZVIBXSWIIA-LLVKDONJSA-N 0 3 260.362 2.597 20 30 CFEDHN OCC[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000267335614 285263705 /nfs/dbraw/zinc/26/37/05/285263705.db2.gz BBYKEMOYWBPDJX-INIZCTEOSA-N 0 3 277.795 2.928 20 30 CFEDHN C=CCN1CC[C@H](N(CCC)CCc2cccs2)C1=O ZINC000281382077 195219612 /nfs/dbraw/zinc/21/96/12/195219612.db2.gz PEVGYWLNNJCNLN-HNNXBMFYSA-N 0 3 292.448 2.790 20 30 CFEDHN C=CC[C@@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000681727518 542482957 /nfs/dbraw/zinc/48/29/57/542482957.db2.gz VXPTUZLPZPRHJJ-QZTJIDSGSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCSc2ccc(F)cc21 ZINC000186715583 260008815 /nfs/dbraw/zinc/00/88/15/260008815.db2.gz LCWDLQCCBUMKSK-YPMHNXCESA-N 0 3 267.369 2.889 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000116937314 262196795 /nfs/dbraw/zinc/19/67/95/262196795.db2.gz IGUSAGCXTCNDKK-CYBMUJFWSA-N 0 3 275.396 2.512 20 30 CFEDHN C=CCSCCNCc1ccc2c(c1)CCC(=O)N2C ZINC000187209204 260029687 /nfs/dbraw/zinc/02/96/87/260029687.db2.gz YFQRZRFVNAWTRT-UHFFFAOYSA-N 0 3 290.432 2.604 20 30 CFEDHN C=CC[C@H](CO)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000186719367 262320407 /nfs/dbraw/zinc/32/04/07/262320407.db2.gz OJUGMJDCKKPKKA-TZMCWYRMSA-N 0 3 264.325 2.573 20 30 CFEDHN COc1cc(CNC[C@H](C)c2nccs2)ccc1C#N ZINC000281694968 195340903 /nfs/dbraw/zinc/34/09/03/195340903.db2.gz NJUGXWICJMMCSF-NSHDSACASA-N 0 3 287.388 2.917 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000352707295 533236430 /nfs/dbraw/zinc/23/64/30/533236430.db2.gz QXJHFODKZYSKHK-WDEREUQCSA-N 0 3 269.304 2.678 20 30 CFEDHN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(C#N)c1 ZINC000414301335 533518154 /nfs/dbraw/zinc/51/81/54/533518154.db2.gz MOGYIOYEZIDRAE-HONMWMINSA-N 0 3 280.318 2.758 20 30 CFEDHN N#CCc1ccccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000575090417 335063997 /nfs/dbraw/zinc/06/39/97/335063997.db2.gz YTYATCWFCOELFL-UHFFFAOYSA-N 0 3 283.375 2.566 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000191548239 130252724 /nfs/dbraw/zinc/25/27/24/130252724.db2.gz HVNVLGOBZDWWDS-BXUZGUMPSA-N 0 3 279.405 2.759 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000191886010 130324514 /nfs/dbraw/zinc/32/45/14/130324514.db2.gz PYZMPBORMTVMPH-KRWDZBQOSA-N 0 3 284.403 2.743 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000192034127 130355307 /nfs/dbraw/zinc/35/53/07/130355307.db2.gz VYABPSGOECYGES-SJORKVTESA-N 0 3 257.377 2.664 20 30 CFEDHN C#CCN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192093884 130369017 /nfs/dbraw/zinc/36/90/17/130369017.db2.gz NVWJRGCTCXVKSH-STQMWFEESA-N 0 3 253.704 2.532 20 30 CFEDHN C[C@H]1CCN(CCOc2cccc(C#N)c2)CCS1 ZINC000192188589 130390321 /nfs/dbraw/zinc/39/03/21/130390321.db2.gz FNWDWKAUXOABOB-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC000237044408 131000323 /nfs/dbraw/zinc/00/03/23/131000323.db2.gz YJRICNADJHDUCQ-INIZCTEOSA-N 0 3 274.408 2.761 20 30 CFEDHN C=CCOc1ccccc1CNC(=O)C1(N)CCCCC1 ZINC000237803101 131058286 /nfs/dbraw/zinc/05/82/86/131058286.db2.gz WOLWANZGXPYHBG-UHFFFAOYSA-N 0 3 288.391 2.529 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(F)c(Cl)c1 ZINC000683369163 542672128 /nfs/dbraw/zinc/67/21/28/542672128.db2.gz WDBSNGIZXBKQIS-ZDUSSCGKSA-N 0 3 257.736 2.848 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC(C)(C)C ZINC000263760015 131324295 /nfs/dbraw/zinc/32/42/95/131324295.db2.gz IBRDDNWCCRZKJV-CYBMUJFWSA-N 0 3 252.402 2.553 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@@H](c2ccccc2F)C1 ZINC000268567440 132028255 /nfs/dbraw/zinc/02/82/55/132028255.db2.gz QKXSSWLCWJJICC-ZIAGYGMSSA-N 0 3 263.356 2.942 20 30 CFEDHN C=CCC[C@H](O)CN(C)C[C@@H]1OCCc2ccccc21 ZINC000268570791 132028783 /nfs/dbraw/zinc/02/87/83/132028783.db2.gz RBMULPBOJPNJCW-RDJZCZTQSA-N 0 3 275.392 2.559 20 30 CFEDHN N#Cc1ccc([C@@H](O)CNC2(c3ccccc3)CC2)cc1 ZINC000268695132 132051266 /nfs/dbraw/zinc/05/12/66/132051266.db2.gz SOKBOJJXPNAMTL-KRWDZBQOSA-N 0 3 278.355 2.871 20 30 CFEDHN C#CCOc1ccc([C@H](C)NC[C@H](O)c2ccc(C)o2)cc1 ZINC000268982930 132095520 /nfs/dbraw/zinc/09/55/20/132095520.db2.gz KUTBNTFZLZHFFC-YOEHRIQHSA-N 0 3 299.370 2.984 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)C2CCCCC2)c(F)c1 ZINC000269459856 132174603 /nfs/dbraw/zinc/17/46/03/132174603.db2.gz XRLJPVPQKNXIJQ-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCNC(=O)CN1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000372433428 393450111 /nfs/dbraw/zinc/45/01/11/393450111.db2.gz IBEDHWDMEVXQLJ-CQSZACIVSA-N 0 3 292.810 2.507 20 30 CFEDHN N#CCCCCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179559707 393467941 /nfs/dbraw/zinc/46/79/41/393467941.db2.gz LGTOMXQFGNYFKX-MRXNPFEDSA-N 0 3 285.391 2.634 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3cccs3)C[C@H]2C)C1=O ZINC000374156349 393486421 /nfs/dbraw/zinc/48/64/21/393486421.db2.gz CPQXEMZWMWTCCK-RDBSUJKOSA-N 0 3 290.432 2.713 20 30 CFEDHN C#CCOc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000374302656 393492277 /nfs/dbraw/zinc/49/22/77/393492277.db2.gz PTGKLIVXAIODHA-UHFFFAOYSA-N 0 3 295.386 2.801 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000186260753 393543568 /nfs/dbraw/zinc/54/35/68/393543568.db2.gz OLCPZXWYKOBISL-JKSUJKDBSA-N 0 3 288.416 2.573 20 30 CFEDHN C=CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182812857 393513923 /nfs/dbraw/zinc/51/39/23/393513923.db2.gz HKXCDJBWKBIENC-SNVBAGLBSA-N 0 3 259.275 2.725 20 30 CFEDHN C=CCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183155531 393517706 /nfs/dbraw/zinc/51/77/06/393517706.db2.gz AFSCQAFXSDRNLD-UHFFFAOYSA-N 0 3 259.275 2.725 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ncccc2C)CC1 ZINC000183549183 393521401 /nfs/dbraw/zinc/52/14/01/393521401.db2.gz WCQIOFKJTHWXDY-VOTSOKGWSA-N 0 3 299.418 2.560 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(OCc2ccccn2)c1 ZINC000184274277 393526444 /nfs/dbraw/zinc/52/64/44/393526444.db2.gz LVSHFGLYDFHPIJ-MRXNPFEDSA-N 0 3 298.386 2.687 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C1CCCC1)C(C)C ZINC000046049346 393574218 /nfs/dbraw/zinc/57/42/18/393574218.db2.gz CUZJBPJCJFIBAD-MRXNPFEDSA-N 0 3 278.440 2.991 20 30 CFEDHN N#CCC1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000334179842 393576930 /nfs/dbraw/zinc/57/69/30/393576930.db2.gz DMKBIEIRALJRKT-UHFFFAOYSA-N 0 3 254.337 2.689 20 30 CFEDHN C#CCCCCNCc1nccn1-c1ccccc1 ZINC000191317399 393592810 /nfs/dbraw/zinc/59/28/10/393592810.db2.gz WZOOLNJQULDHPG-UHFFFAOYSA-N 0 3 253.349 2.765 20 30 CFEDHN C[C@@H]1[C@@H](C)N(CCC2(C#N)CCCCC2)CCN1C ZINC000334565580 393608388 /nfs/dbraw/zinc/60/83/88/393608388.db2.gz PBXDCQJJXQAAEU-HUUCEWRRSA-N 0 3 263.429 2.875 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000192034114 393612833 /nfs/dbraw/zinc/61/28/33/393612833.db2.gz VYABPSGOECYGES-IRXDYDNUSA-N 0 3 257.377 2.664 20 30 CFEDHN COC(=O)[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411625866 393731434 /nfs/dbraw/zinc/73/14/34/393731434.db2.gz XSCXUTFMQVTWGK-CABCVRRESA-N 0 3 292.423 2.982 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000412034762 393761380 /nfs/dbraw/zinc/76/13/80/393761380.db2.gz GLNBRHWEZDQUFB-UHFFFAOYSA-N 0 3 298.430 2.873 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cc(C(C)(C)C)on1 ZINC000411650359 393735146 /nfs/dbraw/zinc/73/51/46/393735146.db2.gz UBBYKDOIUNAGOE-UHFFFAOYSA-N 0 3 279.428 2.912 20 30 CFEDHN CC(C)[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000336479390 393737436 /nfs/dbraw/zinc/73/74/36/393737436.db2.gz VNHOPUBAOPRVMH-HNNXBMFYSA-N 0 3 268.364 2.826 20 30 CFEDHN COCCN(CCC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000411686943 393738456 /nfs/dbraw/zinc/73/84/56/393738456.db2.gz LPSVKSCDGWARJX-HNNXBMFYSA-N 0 3 280.412 2.588 20 30 CFEDHN COC(=O)[C@H]1CSCCN(CCCCC(C)(C)C#N)C1 ZINC000412077292 393762097 /nfs/dbraw/zinc/76/20/97/393762097.db2.gz NRJNHBZUKAAICO-CYBMUJFWSA-N 0 3 298.452 2.544 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000336624179 393744857 /nfs/dbraw/zinc/74/48/57/393744857.db2.gz UYMXZMHLYIIGKV-TZMCWYRMSA-N 0 3 259.353 2.628 20 30 CFEDHN COC(=O)[C@]1(C)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000412114670 393762202 /nfs/dbraw/zinc/76/22/02/393762202.db2.gz YBJJUUIKEZMBTQ-CXAGYDPISA-N 0 3 286.375 2.894 20 30 CFEDHN N#CCc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000411828035 393753180 /nfs/dbraw/zinc/75/31/80/393753180.db2.gz MYIAITCNDVUGHF-UHFFFAOYSA-N 0 3 292.386 2.922 20 30 CFEDHN CO[C@](C)([C@H](C)NCC#Cc1ccc(F)cc1)C1CC1 ZINC000411975044 393758420 /nfs/dbraw/zinc/75/84/20/393758420.db2.gz UUWBHVXQZFUFLU-SUMWQHHRSA-N 0 3 275.367 2.970 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000335708619 393692564 /nfs/dbraw/zinc/69/25/64/393692564.db2.gz GARSTJDWCBTBMG-GFCCVEGCSA-N 0 3 274.339 2.766 20 30 CFEDHN C[C@H](CCC#N)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000411979621 393760046 /nfs/dbraw/zinc/76/00/46/393760046.db2.gz DVOPJHFZLZIQIY-HZPDHXFCSA-N 0 3 271.408 2.885 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412021924 393760149 /nfs/dbraw/zinc/76/01/49/393760149.db2.gz ODNVABPJLYEBDG-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000336083572 393717231 /nfs/dbraw/zinc/71/72/31/393717231.db2.gz FZLKLIMMJJZLAT-RKDXNWHRSA-N 0 3 262.275 2.583 20 30 CFEDHN CC1CCC(N2CCN([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000336116944 393718767 /nfs/dbraw/zinc/71/87/67/393718767.db2.gz YGSOQZNDHRMNIT-XGHPGWEVSA-N 0 3 275.440 2.875 20 30 CFEDHN C[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)N1[C@H](C)CC[C@@H]1C ZINC000412295317 393766497 /nfs/dbraw/zinc/76/64/97/393766497.db2.gz UKUTYUKGVZNYFL-LJISPDSOSA-N 0 3 291.439 2.788 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)C2CC2)CC1 ZINC000339997956 393834809 /nfs/dbraw/zinc/83/48/09/393834809.db2.gz BBZIERAOQHUFEJ-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)CN(C)C(C)C ZINC000412846532 393774951 /nfs/dbraw/zinc/77/49/51/393774951.db2.gz WSLLGHVHRUEXRY-INIZCTEOSA-N 0 3 274.408 2.630 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000338344532 393781716 /nfs/dbraw/zinc/78/17/16/393781716.db2.gz NFXNPSMWOKUJFE-LSDHHAIUSA-N 0 3 293.455 2.895 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1cc(C#N)cs1 ZINC000091892949 393785150 /nfs/dbraw/zinc/78/51/50/393785150.db2.gz CLWYPHDOGDCCJE-KGLIPLIRSA-N 0 3 275.421 2.678 20 30 CFEDHN CC(C)n1cncc1CNCCc1cccc(C#N)c1 ZINC000424189755 393791678 /nfs/dbraw/zinc/79/16/78/393791678.db2.gz LIWSBFDGLVCDAW-UHFFFAOYSA-N 0 3 268.364 2.668 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1nc[nH]c1C ZINC000413980064 393793577 /nfs/dbraw/zinc/79/35/77/393793577.db2.gz CEGSCTZEUYFMDK-HNNXBMFYSA-N 0 3 283.375 2.564 20 30 CFEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC ZINC000338782376 393798598 /nfs/dbraw/zinc/79/85/98/393798598.db2.gz RZBRJUYHTOZRCN-UHFFFAOYSA-N 0 3 280.441 2.605 20 30 CFEDHN COc1ccccc1CCN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000338962354 393807100 /nfs/dbraw/zinc/80/71/00/393807100.db2.gz GIICNZHYLCSVGF-UKRRQHHQSA-N 0 3 258.365 2.862 20 30 CFEDHN C=CCCCNCc1cc(C(=O)OC)c(CC)o1 ZINC000338956147 393807359 /nfs/dbraw/zinc/80/73/59/393807359.db2.gz GMTAIXTZHIPULL-UHFFFAOYSA-N 0 3 251.326 2.684 20 30 CFEDHN C=CCOCCN1CCC[C@@H](Oc2ccccc2)C1 ZINC000338997625 393808400 /nfs/dbraw/zinc/80/84/00/393808400.db2.gz QHHMCOWXPDNKNI-MRXNPFEDSA-N 0 3 261.365 2.732 20 30 CFEDHN CN(CCN(C)[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000338983531 393809105 /nfs/dbraw/zinc/80/91/05/393809105.db2.gz ZKXINPSMGHQKQC-GDBMZVCRSA-N 0 3 257.381 2.747 20 30 CFEDHN C=CCOCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000339060593 393813436 /nfs/dbraw/zinc/81/34/36/393813436.db2.gz MJAAZPVGEOKADH-UHFFFAOYSA-N 0 3 268.360 2.850 20 30 CFEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1c(C)nn(C)c1C ZINC000339086142 393816224 /nfs/dbraw/zinc/81/62/24/393816224.db2.gz YGBUGTVMKLQAMM-IHRRRGAJSA-N 0 3 260.385 2.770 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000339082213 393816598 /nfs/dbraw/zinc/81/65/98/393816598.db2.gz STQMOBJIJJPLKH-FVQBIDKESA-N 0 3 280.375 2.975 20 30 CFEDHN C=CCOCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000339090394 393817446 /nfs/dbraw/zinc/81/74/46/393817446.db2.gz FVRYMUSBWDQDNE-QGZVFWFLSA-N 0 3 273.376 2.711 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000342873850 393872509 /nfs/dbraw/zinc/87/25/09/393872509.db2.gz RTDHMSDWQFTSIM-JKSUJKDBSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000342984425 393876839 /nfs/dbraw/zinc/87/68/39/393876839.db2.gz ASCIHPUYHSEBTI-HUUCEWRRSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC1CCN(CC)CC1 ZINC000343005277 393877528 /nfs/dbraw/zinc/87/75/28/393877528.db2.gz UFXJIIIPKXAOCQ-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000345609720 393912496 /nfs/dbraw/zinc/91/24/96/393912496.db2.gz WKWCSAITYOBBRF-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN COc1ccccc1[C@@H](NC(=O)C(C)C#N)c1ccco1 ZINC000426972345 393891167 /nfs/dbraw/zinc/89/11/67/393891167.db2.gz OCDBECGRCPLFTJ-IAQYHMDHSA-N 0 3 284.315 2.653 20 30 CFEDHN CC(C)[C@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000470732350 393900830 /nfs/dbraw/zinc/90/08/30/393900830.db2.gz INTCJBYUUQSZFD-ZFWWWQNUSA-N 0 3 258.365 2.777 20 30 CFEDHN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(C)C#N)c1 ZINC000345430992 393908118 /nfs/dbraw/zinc/90/81/18/393908118.db2.gz STBBIBKOFQZANE-XUJVJEKNSA-N 0 3 272.348 2.764 20 30 CFEDHN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(C)C#N)c1 ZINC000345430993 393908197 /nfs/dbraw/zinc/90/81/97/393908197.db2.gz STBBIBKOFQZANE-ZOWXZIJZSA-N 0 3 272.348 2.764 20 30 CFEDHN CCCC(=O)NC[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345724640 393915235 /nfs/dbraw/zinc/91/52/35/393915235.db2.gz HINHGDSAZYMEGG-CQSZACIVSA-N 0 3 279.428 2.555 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000346222221 393923464 /nfs/dbraw/zinc/92/34/64/393923464.db2.gz PJMZVZUNEHIJDA-GYSYKLTISA-N 0 3 260.312 2.895 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(CC)CCN1CCCCCC1 ZINC000346308692 393926639 /nfs/dbraw/zinc/92/66/39/393926639.db2.gz WOUIQURRGXXNHM-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000121036092 393946755 /nfs/dbraw/zinc/94/67/55/393946755.db2.gz MIHGFMJPIYLAMT-CQSZACIVSA-N 0 3 254.418 2.777 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000121052516 393947001 /nfs/dbraw/zinc/94/70/01/393947001.db2.gz BPAWFYSZMXVOCE-RBSFLKMASA-N 0 3 266.429 2.777 20 30 CFEDHN COC(=O)[C@@H](C)CN(CCCC#N)Cc1ccccc1 ZINC000121095936 393948002 /nfs/dbraw/zinc/94/80/02/393948002.db2.gz MHVKQLXFAGCILE-AWEZNQCLSA-N 0 3 274.364 2.601 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000348194672 393948698 /nfs/dbraw/zinc/94/86/98/393948698.db2.gz XPJRONAASYIKFK-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN CCC(O)(CC)CCNCc1cc(C#N)cs1 ZINC000471815109 393919315 /nfs/dbraw/zinc/91/93/15/393919315.db2.gz HAVLCMRVMLGNEM-UHFFFAOYSA-N 0 3 252.383 2.651 20 30 CFEDHN CC(C)[C@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352806531 394019634 /nfs/dbraw/zinc/01/96/34/394019634.db2.gz ZAKNSCVYNYSGPJ-CYBMUJFWSA-N 0 3 286.297 2.684 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccn2C(C)C)CC1 ZINC000121633723 393957546 /nfs/dbraw/zinc/95/75/46/393957546.db2.gz XNHMLEIIIMOTQP-UHFFFAOYSA-N 0 3 289.423 2.839 20 30 CFEDHN CO[C@H](C)CN(C)Cc1cccc(OCCCC#N)c1 ZINC000348832389 393959068 /nfs/dbraw/zinc/95/90/68/393959068.db2.gz IMMNPQXXWOXMQY-CQSZACIVSA-N 0 3 276.380 2.836 20 30 CFEDHN C=CCC[C@H](O)C[N@@H+](CCC)Cc1ccccc1[O-] ZINC000126237747 394022916 /nfs/dbraw/zinc/02/29/16/394022916.db2.gz CDNDEAOKBJGTAH-HNNXBMFYSA-N 0 3 263.381 2.931 20 30 CFEDHN C=CCC[C@H](O)C[N@H+](CCC)Cc1ccccc1[O-] ZINC000126237747 394022922 /nfs/dbraw/zinc/02/29/22/394022922.db2.gz CDNDEAOKBJGTAH-HNNXBMFYSA-N 0 3 263.381 2.931 20 30 CFEDHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000263697761 393964775 /nfs/dbraw/zinc/96/47/75/393964775.db2.gz RQUVMDNIJUKRLG-XGUBFFRZSA-N 0 3 299.418 2.997 20 30 CFEDHN C[C@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1O ZINC000349406351 393969414 /nfs/dbraw/zinc/96/94/14/393969414.db2.gz KUKGSOFBDBRRCV-YOEHRIQHSA-N 0 3 288.391 2.572 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271913207 394024294 /nfs/dbraw/zinc/02/42/94/394024294.db2.gz BPDDYKWHOKZTFZ-NEPJUHHUSA-N 0 3 272.327 2.633 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC(C)=C[C@@H](C)C1 ZINC000430280381 393978362 /nfs/dbraw/zinc/97/83/62/393978362.db2.gz AESITISKXQZWHY-CYBMUJFWSA-N 0 3 286.375 2.844 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC[C@](C)(O)C1 ZINC000125052541 394001410 /nfs/dbraw/zinc/00/14/10/394001410.db2.gz CRSNIMYDGMFKDU-KRWDZBQOSA-N 0 3 272.392 2.835 20 30 CFEDHN C=C(C)CCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000352402569 394013931 /nfs/dbraw/zinc/01/39/31/394013931.db2.gz OSMOQIIRWIXLMS-GHMZBOCLSA-N 0 3 251.292 2.588 20 30 CFEDHN CC(C)O[C@H]1C[C@H](NCc2ccc(C#N)o2)C1(C)C ZINC000274203848 394040052 /nfs/dbraw/zinc/04/00/52/394040052.db2.gz JBOQBSQRJZESDW-KBPBESRZSA-N 0 3 262.353 2.833 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1CC(C)C ZINC000354690765 394048885 /nfs/dbraw/zinc/04/88/85/394048885.db2.gz VDOMNBZMIVQYQS-GJZGRUSLSA-N 0 3 279.428 2.505 20 30 CFEDHN C#CCN(CCO[C@@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000491694829 394056435 /nfs/dbraw/zinc/05/64/35/394056435.db2.gz LVWOCIOIYCXENB-WMLDXEAASA-N 0 3 268.360 2.538 20 30 CFEDHN CC[C@@H](N[C@H](C)CN1CCCC1=O)c1ccc(C#N)cc1 ZINC000278175614 394059768 /nfs/dbraw/zinc/05/97/68/394059768.db2.gz CVCIRLMPNZRRMO-CZUORRHYSA-N 0 3 285.391 2.610 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278748606 394062552 /nfs/dbraw/zinc/06/25/52/394062552.db2.gz LZMRZJJJYHIMOQ-JSGCOSHPSA-N 0 3 298.308 2.866 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](c2ccccc2)C2CC2)C1=O ZINC000281969147 394102742 /nfs/dbraw/zinc/10/27/42/394102742.db2.gz KYZJWEVOOPVOED-JKSUJKDBSA-N 0 3 270.376 2.514 20 30 CFEDHN N#Cc1cccc(CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000281838180 394081403 /nfs/dbraw/zinc/08/14/03/394081403.db2.gz YEROXDNVMYETCQ-LJQANCHMSA-N 0 3 292.382 2.872 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCC23CCOCC3)o1 ZINC000281844951 394082858 /nfs/dbraw/zinc/08/28/58/394082858.db2.gz AXGQPQROXDSWSJ-AWEZNQCLSA-N 0 3 260.337 2.590 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2)C2CCC2)C1=O ZINC000281897574 394090448 /nfs/dbraw/zinc/09/04/48/394090448.db2.gz FKZGUPWSJKOADY-IAGOWNOFSA-N 0 3 284.403 2.904 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2)C(C)C)C1=O ZINC000281983316 394105238 /nfs/dbraw/zinc/10/52/38/394105238.db2.gz MCWBPAGSMVNCIP-HZPDHXFCSA-N 0 3 272.392 2.760 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccccc2)C1=O ZINC000282088556 394121693 /nfs/dbraw/zinc/12/16/93/394121693.db2.gz VBNWDYMVNMURJL-HZPDHXFCSA-N 0 3 270.376 2.610 20 30 CFEDHN C=CCNC(=O)[C@@H](C)[N@H+](CCCC)Cc1ccccc1[O-] ZINC000282388385 394123981 /nfs/dbraw/zinc/12/39/81/394123981.db2.gz GQYVTJOZJGXKQM-CQSZACIVSA-N 0 3 290.407 2.685 20 30 CFEDHN C=CCNC(=O)[C@@H](C)[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000282388385 394123982 /nfs/dbraw/zinc/12/39/82/394123982.db2.gz GQYVTJOZJGXKQM-CQSZACIVSA-N 0 3 290.407 2.685 20 30 CFEDHN C=C(C)CN1CCC(Nc2nccc(C(F)F)n2)CC1 ZINC000359491943 394136109 /nfs/dbraw/zinc/13/61/09/394136109.db2.gz MDRRYYONUITEAN-UHFFFAOYSA-N 0 3 282.338 2.867 20 30 CFEDHN C=CCC1(C(=O)N2CCCN(C(C)C)CC2)CCC1 ZINC000359530328 394136787 /nfs/dbraw/zinc/13/67/87/394136787.db2.gz WYXAQGBVEUGZFT-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN CC[C@H](C)N[C@H](CNC(=O)[C@@](C)(C#N)CC)c1ccco1 ZINC000359541421 394137851 /nfs/dbraw/zinc/13/78/51/394137851.db2.gz DKGPZNCPELPRGK-WOSRLPQWSA-N 0 3 291.395 2.765 20 30 CFEDHN C[C@H](NCc1cc(C#N)n(C)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000359738812 394140468 /nfs/dbraw/zinc/14/04/68/394140468.db2.gz JBYHQAUXRVSPBE-ZJNRKIDTSA-N 0 3 295.386 2.940 20 30 CFEDHN Cc1c(CN[C@H]2CC[C@@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000442857235 394140490 /nfs/dbraw/zinc/14/04/90/394140490.db2.gz PLGSLWBYYLHXQG-YPMHNXCESA-N 0 3 259.309 2.685 20 30 CFEDHN C[C@@H](C(=O)NCC(C)(C)CCC#N)N1CCCCCC1 ZINC000360426096 394152294 /nfs/dbraw/zinc/15/22/94/394152294.db2.gz QNDRMXDPFQLLPX-AWEZNQCLSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CCNC(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC000360617199 394155743 /nfs/dbraw/zinc/15/57/43/394155743.db2.gz HJDUUGYSJNQOGY-AWEZNQCLSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360627455 394155817 /nfs/dbraw/zinc/15/58/17/394155817.db2.gz KXWHINJQZYVELJ-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN CCCN(CCN1CCCCCC1)C(=O)CCCC#N ZINC000360618103 394155961 /nfs/dbraw/zinc/15/59/61/394155961.db2.gz JNUBXWKAJHAAAE-UHFFFAOYSA-N 0 3 279.428 2.795 20 30 CFEDHN C=CCC[C@H](N[C@H](C)C[S@@](C)=O)c1ccco1 ZINC000285915403 394165481 /nfs/dbraw/zinc/16/54/81/394165481.db2.gz CBMMYERAQMTQNG-BWACUDIHSA-N 0 3 255.383 2.644 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@H](CCO)CC2)c1 ZINC000421044644 394169201 /nfs/dbraw/zinc/16/92/01/394169201.db2.gz SUQPGGMKCBZGRH-ZDUSSCGKSA-N 0 3 276.355 2.682 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000448922256 394210858 /nfs/dbraw/zinc/21/08/58/394210858.db2.gz PZYLOKSSAYEBGQ-OFQRWUPVSA-N 0 3 276.424 2.579 20 30 CFEDHN C[C@@H](NCC(C)(C)CCC#N)c1nnc2ccccn21 ZINC000135138345 394212086 /nfs/dbraw/zinc/21/20/86/394212086.db2.gz JQGSDDNMQMUUAL-GFCCVEGCSA-N 0 3 271.368 2.710 20 30 CFEDHN CC[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)CCO1 ZINC000449124348 394221474 /nfs/dbraw/zinc/22/14/74/394221474.db2.gz GJFMOFYNTZADPR-KBPBESRZSA-N 0 3 262.328 2.745 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000366253993 394242055 /nfs/dbraw/zinc/24/20/55/394242055.db2.gz XNWSNPPLVCCCDR-MRXNPFEDSA-N 0 3 299.418 2.505 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)s1)C1CCCC1 ZINC000421887903 394248737 /nfs/dbraw/zinc/24/87/37/394248737.db2.gz SXPLSJVSTLOBRI-CQSZACIVSA-N 0 3 264.394 2.915 20 30 CFEDHN C=CCC[C@@H](NC[C@@H](COC)OC)c1ccco1 ZINC000286311885 394195188 /nfs/dbraw/zinc/19/51/88/394195188.db2.gz XNXOPTXTTGTDEY-QWHCGFSZSA-N 0 3 253.342 2.538 20 30 CFEDHN C=CCC[C@H](O)CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000151348420 394262057 /nfs/dbraw/zinc/26/20/57/394262057.db2.gz RENRQVZRZHSHNS-MSOLQXFVSA-N 0 3 289.419 2.647 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)s1 ZINC000449556945 394281310 /nfs/dbraw/zinc/28/13/10/394281310.db2.gz TZBLVJVHWKEWST-FRRDWIJNSA-N 0 3 276.405 2.603 20 30 CFEDHN Fc1ccc(C#CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000296082571 394305900 /nfs/dbraw/zinc/30/59/00/394305900.db2.gz QATWHMZEFPNZOI-ZACQAIPSSA-N 0 3 285.362 2.724 20 30 CFEDHN CCN(C)C(=O)[C@@H](N[C@H](C)c1cccc(C#N)c1)C(C)C ZINC000296341348 394308149 /nfs/dbraw/zinc/30/81/49/394308149.db2.gz HVRAQORBLDBBNE-CJNGLKHVSA-N 0 3 287.407 2.712 20 30 CFEDHN COc1ccc(C#N)cc1CN(C[C@H]1CCOC1)C1CC1 ZINC000156113058 394329530 /nfs/dbraw/zinc/32/95/30/394329530.db2.gz AFOKRANPEWOUNO-CQSZACIVSA-N 0 3 286.375 2.568 20 30 CFEDHN COc1ccc(CN(C)C)cc1NCc1ccc(C#N)o1 ZINC000157533694 394347453 /nfs/dbraw/zinc/34/74/53/394347453.db2.gz IXMIMYOZHSDGNH-UHFFFAOYSA-N 0 3 285.347 2.834 20 30 CFEDHN C=CCN(CCCOCC)Cc1cccc(C#N)c1 ZINC000159751363 394365708 /nfs/dbraw/zinc/36/57/08/394365708.db2.gz HFCKFZIHIOHUGK-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN C=CC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000163410755 394368599 /nfs/dbraw/zinc/36/85/99/394368599.db2.gz FTPJJGFTHMPZJX-UHFFFAOYSA-N 0 3 256.349 2.965 20 30 CFEDHN COc1cc(CNC[C@H](O)CC2CCCC2)ccc1C#N ZINC000519819321 394378225 /nfs/dbraw/zinc/37/82/25/394378225.db2.gz BVOBDUIVFZOYND-MRXNPFEDSA-N 0 3 288.391 2.598 20 30 CFEDHN CC[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H](O)C(F)F ZINC000453272972 394382845 /nfs/dbraw/zinc/38/28/45/394382845.db2.gz SSBMSNULSWIHRM-MJBXVCDLSA-N 0 3 280.318 2.540 20 30 CFEDHN C[C@H](NCCC1(CO)CC1)c1ccc(C#N)cc1F ZINC000453331289 394386587 /nfs/dbraw/zinc/38/65/87/394386587.db2.gz FEIUMUHEZPVGOJ-NSHDSACASA-N 0 3 262.328 2.511 20 30 CFEDHN N#Cc1c2c(cnc1NC[C@@H]1CCN1C1CCCC1)CCC2 ZINC000528212262 394403361 /nfs/dbraw/zinc/40/33/61/394403361.db2.gz SGEFZEXIWFSTOD-HNNXBMFYSA-N 0 3 296.418 2.871 20 30 CFEDHN CC(C)(C#N)CCNC(C)(C)C(=O)NCC1CCCCC1 ZINC000538515234 394604630 /nfs/dbraw/zinc/60/46/30/394604630.db2.gz NWYGJAQXWUYSDG-UHFFFAOYSA-N 0 3 293.455 2.991 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)CCc1ccccc1O ZINC000541393296 394673053 /nfs/dbraw/zinc/67/30/53/394673053.db2.gz NUTUCBJTZUSPTG-UHFFFAOYSA-N 0 3 296.370 2.817 20 30 CFEDHN COc1ccc(CC[C@@H](C)NCC2(C#N)CC2)cc1O ZINC000575114572 335067010 /nfs/dbraw/zinc/06/70/10/335067010.db2.gz YEJWSXZCSWOXDS-GFCCVEGCSA-N 0 3 274.364 2.615 20 30 CFEDHN C[C@H](N[C@@H]1CCn2ccnc2C1)c1ccc(C#N)cc1F ZINC000547979802 394900612 /nfs/dbraw/zinc/90/06/12/394900612.db2.gz MDKWPMDRWVLOOI-WCQYABFASA-N 0 3 284.338 2.559 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCOC3(CCCCC3)C2)n1 ZINC000554971042 394963624 /nfs/dbraw/zinc/96/36/24/394963624.db2.gz GOWLIKBSUJMNEF-GFCCVEGCSA-N 0 3 291.420 2.986 20 30 CFEDHN C=CCN(C)CCN(CC)CCc1ncc(C)cc1C ZINC000567771262 395083886 /nfs/dbraw/zinc/08/38/86/395083886.db2.gz XDTRPBWGJHJKRU-UHFFFAOYSA-N 0 3 275.440 2.681 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1cccc(F)c1)C(C)(C)C ZINC000181062970 543018957 /nfs/dbraw/zinc/01/89/57/543018957.db2.gz AZQFOQXZTILIQW-OAHLLOKOSA-N 0 3 278.371 2.805 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc2cc(Cl)cnc2o1 ZINC000648491847 395172104 /nfs/dbraw/zinc/17/21/04/395172104.db2.gz XRUQNMJKFKUVGU-JTQLQIEISA-N 0 3 280.755 2.755 20 30 CFEDHN FC(F)(F)c1ccc(C#CCN[C@H]2CCCOC2)cc1 ZINC000181214701 543020885 /nfs/dbraw/zinc/02/08/85/543020885.db2.gz PNFOUSZHBFVENV-AWEZNQCLSA-N 0 3 283.293 2.826 20 30 CFEDHN C=CCC[C@H](NCCCc1ncn(C)n1)c1ccco1 ZINC000647326383 395292953 /nfs/dbraw/zinc/29/29/53/395292953.db2.gz CQGMHBWDUWTXDM-ZDUSSCGKSA-N 0 3 274.368 2.638 20 30 CFEDHN Cn1cccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647371785 395317638 /nfs/dbraw/zinc/31/76/38/395317638.db2.gz YUPCHNOJHPOYHQ-JTQLQIEISA-N 0 3 271.345 2.849 20 30 CFEDHN C=C(C)COc1cc(CN2CC[C@@H](O)[C@H]2C)ccc1OC ZINC000648800620 395317875 /nfs/dbraw/zinc/31/78/75/395317875.db2.gz KTNHRDRKBRMEKR-UKRRQHHQSA-N 0 3 291.391 2.605 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000648999102 395392313 /nfs/dbraw/zinc/39/23/13/395392313.db2.gz ZTTILNFCMOIQBO-OAHLLOKOSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000648999292 395393005 /nfs/dbraw/zinc/39/30/05/395393005.db2.gz VSPVCSALALKQDX-INIZCTEOSA-N 0 3 286.419 2.932 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1cccc(Br)c1 ZINC000649254359 395461574 /nfs/dbraw/zinc/46/15/74/395461574.db2.gz GEQVABAIEFHBAR-ZDUSSCGKSA-N 0 3 284.197 2.818 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(n3cc(Cl)cn3)CC2)C1 ZINC000334168249 413104736 /nfs/dbraw/zinc/10/47/36/413104736.db2.gz AWHYBRBTAXLQMH-FZMZJTMJSA-N 0 3 278.787 2.866 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CC3CCC2CC3)CC1 ZINC000426367433 397573620 /nfs/dbraw/zinc/57/36/20/397573620.db2.gz UFDFHNDZUJRHLI-XUJLQICISA-N 0 3 291.439 2.515 20 30 CFEDHN C[C@H](NCc1c[nH]c2nccnc12)c1ccc(C#N)cc1 ZINC000356172119 155176634 /nfs/dbraw/zinc/17/66/34/155176634.db2.gz CHPPSFRJGGFBFG-NSHDSACASA-N 0 3 277.331 2.632 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1csc([N+](=O)[O-])c1 ZINC000411638113 413234386 /nfs/dbraw/zinc/23/43/86/413234386.db2.gz GXOVDTNPRZAESL-UHFFFAOYSA-N 0 3 283.397 2.596 20 30 CFEDHN C=CCN(C)CCN(CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000411635217 413234746 /nfs/dbraw/zinc/23/47/46/413234746.db2.gz BGJHFSJMZLDBGA-CYBMUJFWSA-N 0 3 294.443 2.868 20 30 CFEDHN C=CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000660311577 413236213 /nfs/dbraw/zinc/23/62/13/413236213.db2.gz IBHYZYAIGAHJJW-INIZCTEOSA-N 0 3 287.407 2.699 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC(O)C1 ZINC000356423119 155261308 /nfs/dbraw/zinc/26/13/08/155261308.db2.gz VNSTUCGQBLEXDT-UHFFFAOYSA-N 0 3 284.281 2.532 20 30 CFEDHN Cc1cc(CNC(=O)C(C)C#N)ccc1Br ZINC000334744640 533675960 /nfs/dbraw/zinc/67/59/60/533675960.db2.gz YCDMXCDXCOFBJH-SECBINFHSA-N 0 3 281.153 2.533 20 30 CFEDHN Cc1ccc(C)c(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000825158465 782002664 /nfs/dbraw/zinc/00/26/64/782002664.db2.gz LRCOXLLUPGKVMD-DELQEKLWSA-N 0 3 253.305 2.736 20 30 CFEDHN Cc1ccc(/C=C2/C(=O)c3ncnn3C2C)c(C)c1 ZINC000825157062 782003159 /nfs/dbraw/zinc/00/31/59/782003159.db2.gz KFJVAFPAEMEEEX-DELQEKLWSA-N 0 3 253.305 2.736 20 30 CFEDHN Cc1ccc(C)c(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000825158468 782003850 /nfs/dbraw/zinc/00/38/50/782003850.db2.gz LRCOXLLUPGKVMD-ZTFCMROMSA-N 0 3 253.305 2.736 20 30 CFEDHN CCCN(CCN1CCCC1)c1ccc(C)c(C#N)n1 ZINC000343270269 154162506 /nfs/dbraw/zinc/16/25/06/154162506.db2.gz LMGGNOHEJNZQDP-UHFFFAOYSA-N 0 3 272.396 2.574 20 30 CFEDHN N#Cc1cccc(CNCc2ccc3c(c2)COC3)c1 ZINC000343272169 154163146 /nfs/dbraw/zinc/16/31/46/154163146.db2.gz PTXUWUUCDUDTJV-UHFFFAOYSA-N 0 3 264.328 2.878 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@@H]2CCO)c(Cl)c1 ZINC000348183543 154352275 /nfs/dbraw/zinc/35/22/75/154352275.db2.gz NFEGCXOPTFDKJT-DOMZBBRYSA-N 0 3 278.783 2.852 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000352184450 154492251 /nfs/dbraw/zinc/49/22/51/154492251.db2.gz RAESJIJYXODYJD-CQSZACIVSA-N 0 3 259.353 2.663 20 30 CFEDHN CC(C)(C)CC[C@@H](CO)NCc1cccc(C#N)c1 ZINC000355727656 155067733 /nfs/dbraw/zinc/06/77/33/155067733.db2.gz KCOLUSMLIBABHK-HNNXBMFYSA-N 0 3 260.381 2.835 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@H]1CCCOC1 ZINC000355780451 155085113 /nfs/dbraw/zinc/08/51/13/155085113.db2.gz WEZAELWWLVXGKK-FZMZJTMJSA-N 0 3 262.328 2.602 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1 ZINC000362882678 156106042 /nfs/dbraw/zinc/10/60/42/156106042.db2.gz KCXKMZUPLIRSAF-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN CN(C)Cc1cccc(CNC(=O)c2ccc(C#N)s2)c1 ZINC000362900915 156110027 /nfs/dbraw/zinc/11/00/27/156110027.db2.gz NENRLPQDPBUVLP-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN Cc1cc(CN2CCC(NC(=O)C(C)C)CC2)ccc1C#N ZINC000362933942 156120250 /nfs/dbraw/zinc/12/02/50/156120250.db2.gz IDNVZDBGWVLICK-UHFFFAOYSA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(C#N)s1)N1CCCC[C@H]1C ZINC000362956542 156126787 /nfs/dbraw/zinc/12/67/87/156126787.db2.gz ACJFYBTVEZIUPB-VXGBXAGGSA-N 0 3 291.420 2.612 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@H]2CCc3ccccc32)C1=O ZINC000660464750 413337717 /nfs/dbraw/zinc/33/77/17/413337717.db2.gz SRQGWBYSTREREX-AEFFLSMTSA-N 0 3 298.430 2.825 20 30 CFEDHN COc1cc(CN2CCC(c3cn[nH]c3)CC2)ccc1C#N ZINC000374205296 157081468 /nfs/dbraw/zinc/08/14/68/157081468.db2.gz NUMKNCNBALWZDL-UHFFFAOYSA-N 0 3 296.374 2.670 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375277354 157217123 /nfs/dbraw/zinc/21/71/23/157217123.db2.gz JEVHBXYZNAXIMZ-WBVHZDCISA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)s1 ZINC000375305036 157223416 /nfs/dbraw/zinc/22/34/16/157223416.db2.gz VOVMQEVZSXYJKQ-CQSZACIVSA-N 0 3 262.378 2.622 20 30 CFEDHN N#Cc1cc(NC2CCN(Cc3cccs3)CC2)ccn1 ZINC000376107431 157323395 /nfs/dbraw/zinc/32/33/95/157323395.db2.gz SXYBHNGLAUGFNT-UHFFFAOYSA-N 0 3 298.415 2.513 20 30 CFEDHN C=CCCn1cc(CNC(CC)(CC)CC)nn1 ZINC000653581873 413382764 /nfs/dbraw/zinc/38/27/64/413382764.db2.gz OHGQLLOHIFFHTK-UHFFFAOYSA-N 0 3 250.390 2.913 20 30 CFEDHN C=CCCn1cc(CN[C@H]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000653599334 413396031 /nfs/dbraw/zinc/39/60/31/413396031.db2.gz JCKSBBMSSRHOPG-NHAGDIPZSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)Cc2cccs2)nn1 ZINC000657300661 413418658 /nfs/dbraw/zinc/41/86/58/413418658.db2.gz SEEJDGCQKOZTGN-GFCCVEGCSA-N 0 3 276.409 2.637 20 30 CFEDHN C=CCCC[C@H](C)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602722 413426357 /nfs/dbraw/zinc/42/63/57/413426357.db2.gz WZEXZBUMOAVXEE-HOCLYGCPSA-N 0 3 291.439 2.958 20 30 CFEDHN N#Cc1ccc(CNCCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000344622618 162083340 /nfs/dbraw/zinc/08/33/40/162083340.db2.gz ZSESGPBNRUAUED-UHFFFAOYSA-N 0 3 299.305 2.938 20 30 CFEDHN CCN1C[C@@H](C)N(c2ccc(Cl)c(C#N)n2)C[C@@H]1C ZINC000345168403 162192942 /nfs/dbraw/zinc/19/29/42/162192942.db2.gz FNVLTIOPDXQHGJ-WDEREUQCSA-N 0 3 278.787 2.526 20 30 CFEDHN CC[C@@H](O)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346126110 162323559 /nfs/dbraw/zinc/32/35/59/162323559.db2.gz AXYVYHFRIIODHP-SMDDNHRTSA-N 0 3 264.344 2.899 20 30 CFEDHN CC[C@@H](COC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346145230 162330930 /nfs/dbraw/zinc/33/09/30/162330930.db2.gz UWAKJRMQDIWFLH-GWCFXTLKSA-N 0 3 250.317 2.773 20 30 CFEDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc(C#N)c(F)c1 ZINC000346200034 162348230 /nfs/dbraw/zinc/34/82/30/162348230.db2.gz QTVGYCLPUPBIEJ-ADWYPQAOSA-N 0 3 282.384 2.505 20 30 CFEDHN C[C@@H](NCCOCC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000346199924 162349276 /nfs/dbraw/zinc/34/92/76/162349276.db2.gz QIPYMLBBEKIANW-SECBINFHSA-N 0 3 290.260 2.927 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000653690939 413448071 /nfs/dbraw/zinc/44/80/71/413448071.db2.gz TWTRBZDFNYYWSX-OAHLLOKOSA-N 0 3 296.798 2.515 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCCC[C@H]2C)nn1 ZINC000657329405 413454522 /nfs/dbraw/zinc/45/45/22/413454522.db2.gz QLADUIXQKHKNHF-ZIAGYGMSSA-N 0 3 262.401 2.770 20 30 CFEDHN CCCCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000349726522 163009224 /nfs/dbraw/zinc/00/92/24/163009224.db2.gz AVKUMZJXTZYJBI-UHFFFAOYSA-N 0 3 271.408 2.866 20 30 CFEDHN C[C@H](O)CCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352842102 163249734 /nfs/dbraw/zinc/24/97/34/163249734.db2.gz ANCKTEHLCKNUQZ-JTQLQIEISA-N 0 3 286.297 2.828 20 30 CFEDHN C[C@@H]1C[C@@H](CCNCc2nc(C#N)cs2)C[C@H](C)O1 ZINC000352860397 163255835 /nfs/dbraw/zinc/25/58/35/163255835.db2.gz BEKCDCLUELHXOP-ZSBIGDGJSA-N 0 3 279.409 2.698 20 30 CFEDHN COc1cc(CNC/C=C/c2ccncc2)ccc1C#N ZINC000353202280 163315290 /nfs/dbraw/zinc/31/52/90/163315290.db2.gz AEYYAFXCDBZGTI-NSCUHMNNSA-N 0 3 279.343 2.765 20 30 CFEDHN N#Cc1csc(CNC[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000353237745 163324089 /nfs/dbraw/zinc/32/40/89/163324089.db2.gz DRSALARODNCYQY-IRXDYDNUSA-N 0 3 298.411 2.876 20 30 CFEDHN CC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)OC ZINC000353568065 163396384 /nfs/dbraw/zinc/39/63/84/163396384.db2.gz AFXRYGMDOBJMJM-JQWIXIFHSA-N 0 3 250.317 2.773 20 30 CFEDHN C[C@@H](NC(C)(C)c1cccs1)C(=O)NC1(C#N)CCC1 ZINC000346533300 287006671 /nfs/dbraw/zinc/00/66/71/287006671.db2.gz NWCOZMFQPMRCDW-LLVKDONJSA-N 0 3 291.420 2.524 20 30 CFEDHN C[C@H](NCCC1(O)CCC1)c1ccc(C#N)c(F)c1 ZINC000284346573 196036727 /nfs/dbraw/zinc/03/67/27/196036727.db2.gz MAVXGBFWLZZIBA-NSHDSACASA-N 0 3 262.328 2.653 20 30 CFEDHN N#Cc1ccc(OCCN2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284374041 196042014 /nfs/dbraw/zinc/04/20/14/196042014.db2.gz FDSOVMQYLGXOBR-DLBZAZTESA-N 0 3 286.375 2.580 20 30 CFEDHN C=CCCCCN1CCCN(c2nc(CC)ns2)CC1 ZINC000575132414 335070760 /nfs/dbraw/zinc/07/07/60/335070760.db2.gz ITSZGUIRGUYKJW-UHFFFAOYSA-N 0 3 294.468 2.969 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](COC)c1ccc(OCC)cc1 ZINC000284822705 196138437 /nfs/dbraw/zinc/13/84/37/196138437.db2.gz RDJRQJPWYDHASB-RDJZCZTQSA-N 0 3 293.407 2.690 20 30 CFEDHN C=CCN1CCC(NCc2ccc(F)c(F)c2F)CC1 ZINC000657352228 413485670 /nfs/dbraw/zinc/48/56/70/413485670.db2.gz GAFUKJUDLCTSLZ-UHFFFAOYSA-N 0 3 284.325 2.844 20 30 CFEDHN OCCC1(NCC#Cc2ccc(Cl)cc2)CCCC1 ZINC000660679101 413491541 /nfs/dbraw/zinc/49/15/41/413491541.db2.gz WMVMBOAQJWRZER-UHFFFAOYSA-N 0 3 277.795 2.976 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCOc3ccccc32)nn1 ZINC000657359530 413497943 /nfs/dbraw/zinc/49/79/43/413497943.db2.gz WBBSGJIZBXXVOH-CQSZACIVSA-N 0 3 298.390 2.510 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2(CC(C)C)CC2)CC1 ZINC000664015835 413514165 /nfs/dbraw/zinc/51/41/65/413514165.db2.gz KSPALMZUNKCECD-UHFFFAOYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCC[C@H](CC)C2)nn1 ZINC000657373280 413516216 /nfs/dbraw/zinc/51/62/16/413516216.db2.gz RLTUSBDBTLUQPP-KBPBESRZSA-N 0 3 262.401 2.913 20 30 CFEDHN OCC1(N(CC#Cc2ccc(F)cc2)C2CC2)CCC1 ZINC000660772654 413550311 /nfs/dbraw/zinc/55/03/11/413550311.db2.gz KVEWCCZRZVBIJN-UHFFFAOYSA-N 0 3 273.351 2.557 20 30 CFEDHN COc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)ccc1C#N ZINC000285059637 196188161 /nfs/dbraw/zinc/18/81/61/196188161.db2.gz LOHHZWPQSATENV-HOTGVXAUSA-N 0 3 286.375 2.710 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000285067763 196188745 /nfs/dbraw/zinc/18/87/45/196188745.db2.gz LUUFQYLZHCCFDJ-ZIAGYGMSSA-N 0 3 262.378 2.763 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)Cn2cccn2)cc1 ZINC000035272042 172092541 /nfs/dbraw/zinc/09/25/41/172092541.db2.gz GCLIRNQEUKHWDK-CQSZACIVSA-N 0 3 271.364 2.626 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000285221736 196224786 /nfs/dbraw/zinc/22/47/86/196224786.db2.gz RTZTWHFSUSHRGD-MSOLQXFVSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000651686090 413570462 /nfs/dbraw/zinc/57/04/62/413570462.db2.gz PYXUMSJVBSZVNP-CABCVRRESA-N 0 3 293.432 2.795 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CCN(CC)CC1 ZINC000660818961 413591279 /nfs/dbraw/zinc/59/12/79/413591279.db2.gz FOIUPWAKSMWAQC-GOEBONIOSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCN1CCC(NC(=O)c2sccc2Cl)CC1 ZINC000285383058 196267251 /nfs/dbraw/zinc/26/72/51/196267251.db2.gz NLOQDKNRJBTEDJ-UHFFFAOYSA-N 0 3 284.812 2.782 20 30 CFEDHN C=CCCn1cc(CNCCC2Cc3ccccc3C2)nn1 ZINC000657417664 413576598 /nfs/dbraw/zinc/57/65/98/413576598.db2.gz SPCJDNJJLRZNAC-UHFFFAOYSA-N 0 3 296.418 2.749 20 30 CFEDHN C=CCCOCCNCc1cncc(Br)c1C ZINC000657419150 413577246 /nfs/dbraw/zinc/57/72/46/413577246.db2.gz QKZMMLLYOZSVMU-UHFFFAOYSA-N 0 3 299.212 2.835 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCCC(F)(F)C2)nn1 ZINC000657458938 413632174 /nfs/dbraw/zinc/63/21/74/413632174.db2.gz ROKBKFLUZTUQSY-GFCCVEGCSA-N 0 3 284.354 2.769 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@@H](c2nncn2C)C(C)C)C1 ZINC000651804831 413649972 /nfs/dbraw/zinc/64/99/72/413649972.db2.gz VYBIZHPUKBYVCF-MGPQQGTHSA-N 0 3 262.401 2.847 20 30 CFEDHN C=CCCn1cc(CNC[C@H]2CCC[C@@H]2CC)nn1 ZINC000657478832 413660434 /nfs/dbraw/zinc/66/04/34/413660434.db2.gz OXINOTJTLCSMTR-UONOGXRCSA-N 0 3 262.401 2.770 20 30 CFEDHN CO[C@@H](C)CN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285411971 196275986 /nfs/dbraw/zinc/27/59/86/196275986.db2.gz FULNRCKGMBZZIA-LBPRGKRZSA-N 0 3 292.354 2.575 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2c(CC)nn(C)c2OC)C1 ZINC000651748313 413612244 /nfs/dbraw/zinc/61/22/44/413612244.db2.gz HDZFQAUPMKCGAE-CHWSQXEVSA-N 0 3 277.412 2.826 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000660991536 413698202 /nfs/dbraw/zinc/69/82/02/413698202.db2.gz LRIIYIAGHYFLCF-KBPBESRZSA-N 0 3 281.444 2.903 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1ccc(S(C)(=O)=O)o1 ZINC000657529884 413713144 /nfs/dbraw/zinc/71/31/44/413713144.db2.gz KJOZSAMJDHBWFN-OCCSQVGLSA-N 0 3 297.420 2.908 20 30 CFEDHN C=CCc1cc(CN[C@@H]2COC(C)(C)C2)cc(OC)c1O ZINC000657531819 413713324 /nfs/dbraw/zinc/71/33/24/413713324.db2.gz ZHTPHTPKSHOHKJ-AWEZNQCLSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCOc1ccccc1CNCCO[C@@H]1CC1(F)F ZINC000657618664 413795320 /nfs/dbraw/zinc/79/53/20/413795320.db2.gz NYQPWTFKWVPVRJ-CQSZACIVSA-N 0 3 283.318 2.765 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nnnn1C(C)(C)C ZINC000661115083 413765205 /nfs/dbraw/zinc/76/52/05/413765205.db2.gz PIJCEIPSTYTBKT-CHWSQXEVSA-N 0 3 277.416 2.653 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000661121361 413768763 /nfs/dbraw/zinc/76/87/63/413768763.db2.gz CQVMYROMARAYFM-STQMWFEESA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCNCc1cnc(-c2ccccc2OC)nc1 ZINC000657584135 413770184 /nfs/dbraw/zinc/77/01/84/413770184.db2.gz YSQLNFYVUKRDQS-UHFFFAOYSA-N 0 3 269.348 2.818 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C)on1 ZINC000661119059 413770644 /nfs/dbraw/zinc/77/06/44/413770644.db2.gz PGDZMXJCJGROMS-STQMWFEESA-N 0 3 277.368 2.646 20 30 CFEDHN C=CCC1(NCc2cn(Cc3cccnc3)nn2)CCCC1 ZINC000657702121 413869953 /nfs/dbraw/zinc/86/99/53/413869953.db2.gz HFSDMQIPRYZZLP-UHFFFAOYSA-N 0 3 297.406 2.700 20 30 CFEDHN C=CCC[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1ccco1 ZINC000285520274 196313330 /nfs/dbraw/zinc/31/33/30/196313330.db2.gz BCQVYVYGCGFQPS-HZPDHXFCSA-N 0 3 291.439 2.512 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCc2ccccc2C(C)(C)C1 ZINC000661208670 413820506 /nfs/dbraw/zinc/82/05/06/413820506.db2.gz BTNWPFMQVQFVLG-CQSZACIVSA-N 0 3 286.419 2.513 20 30 CFEDHN C=CCOCCCNCc1cnc(C2CC2)s1 ZINC000657657877 413823544 /nfs/dbraw/zinc/82/35/44/413823544.db2.gz FMDLMOSMKYWRIG-UHFFFAOYSA-N 0 3 252.383 2.703 20 30 CFEDHN C=CCOCCCNCc1ncccc1C(F)(F)F ZINC000657657767 413824316 /nfs/dbraw/zinc/82/43/16/413824316.db2.gz BOLSVZGSYVFNCR-UHFFFAOYSA-N 0 3 274.286 2.783 20 30 CFEDHN C=CCOCCCNCc1ccc(Br)o1 ZINC000657658250 413825905 /nfs/dbraw/zinc/82/59/05/413825905.db2.gz QGQXWUOOHNTHFZ-UHFFFAOYSA-N 0 3 274.158 2.724 20 30 CFEDHN C=CCN(CCOc1cccc(OC)c1)[C@H](C)COC ZINC000661241366 413840420 /nfs/dbraw/zinc/84/04/20/413840420.db2.gz WOVOVYAIMYGKBW-CQSZACIVSA-N 0 3 279.380 2.597 20 30 CFEDHN C=CCN(CCN(C)c1ccccc1)[C@@H](C)COC ZINC000661241743 413845295 /nfs/dbraw/zinc/84/52/95/413845295.db2.gz AXDXOSXEZTZFGU-HNNXBMFYSA-N 0 3 262.397 2.646 20 30 CFEDHN C=CCN(Cc1ccccc1N(C)C)[C@@H](C)COC ZINC000661242131 413846831 /nfs/dbraw/zinc/84/68/31/413846831.db2.gz HGXPSBBEIXRJLR-AWEZNQCLSA-N 0 3 262.397 2.776 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000664590408 413853888 /nfs/dbraw/zinc/85/38/88/413853888.db2.gz WKBWAPBAHXSBCH-CABCVRRESA-N 0 3 281.444 2.857 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000661376678 413938013 /nfs/dbraw/zinc/93/80/13/413938013.db2.gz FQDUGMHLTTUXGY-HNNXBMFYSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2)C1 ZINC000661376699 413939120 /nfs/dbraw/zinc/93/91/20/413939120.db2.gz FSVMWMGRMQVDQC-MRXNPFEDSA-N 0 3 286.419 2.933 20 30 CFEDHN C=CC[C@H]1CCCN([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000661383837 413941635 /nfs/dbraw/zinc/94/16/35/413941635.db2.gz FLAKHZCCLHUDEV-UONOGXRCSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCCCCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000654665760 413951345 /nfs/dbraw/zinc/95/13/45/413951345.db2.gz KJUJWXHCCMOELN-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)[C@@H]1CCO ZINC000661497039 414011524 /nfs/dbraw/zinc/01/15/24/414011524.db2.gz HTFAAEUNIINANO-RHSMWYFYSA-N 0 3 275.367 2.660 20 30 CFEDHN C[C@H]1CCCN(CC#Cc2ccc(F)cc2)[C@@H]1CCO ZINC000661497041 414012529 /nfs/dbraw/zinc/01/25/29/414012529.db2.gz HTFAAEUNIINANO-WMLDXEAASA-N 0 3 275.367 2.660 20 30 CFEDHN CC#CCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285638515 196352611 /nfs/dbraw/zinc/35/26/11/196352611.db2.gz ZCGLQWTUHIIHSM-UHFFFAOYSA-N 0 3 286.350 2.954 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)[C@H]1CCCO1 ZINC000037242284 173058638 /nfs/dbraw/zinc/05/86/38/173058638.db2.gz QIJYYQZGDYJQLS-UKRRQHHQSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000037242278 173058839 /nfs/dbraw/zinc/05/88/39/173058839.db2.gz QIJYYQZGDYJQLS-ZFWWWQNUSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCC[C@@H](NCCNC(=O)C(C)C)c1ccco1 ZINC000285762862 196390853 /nfs/dbraw/zinc/39/08/53/196390853.db2.gz SHRMQVOVHHUDER-CYBMUJFWSA-N 0 3 264.369 2.649 20 30 CFEDHN CC(=O)Nc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000037505735 173240476 /nfs/dbraw/zinc/24/04/76/173240476.db2.gz VLYIQFIINLSMHI-UHFFFAOYSA-N 0 3 279.343 2.806 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(C(F)F)nc1 ZINC000657972040 414078655 /nfs/dbraw/zinc/07/86/55/414078655.db2.gz NYACCTYQJPBFNI-JTQLQIEISA-N 0 3 256.296 2.872 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1nnc2n1CCCC2 ZINC000657975036 414082108 /nfs/dbraw/zinc/08/21/08/414082108.db2.gz WGBGMNFFVYJMOD-KGLIPLIRSA-N 0 3 274.412 2.839 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661705984 414158808 /nfs/dbraw/zinc/15/88/08/414158808.db2.gz HCHXALSBBMAZTQ-IRXDYDNUSA-N 0 3 275.392 2.596 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666483 414121993 /nfs/dbraw/zinc/12/19/93/414121993.db2.gz ZEJNLIQYMPXKJW-RYQLBKOJSA-N 0 3 271.404 2.886 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000652990955 414167409 /nfs/dbraw/zinc/16/74/09/414167409.db2.gz KAKAROKHEBYBKB-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCN(CC(=O)NCc1ccc(OC)cc1)C(C)(C)C ZINC000661755316 414193724 /nfs/dbraw/zinc/19/37/24/414193724.db2.gz OEGUMLGNDOEDHK-UHFFFAOYSA-N 0 3 290.407 2.598 20 30 CFEDHN C=CCN(CC(=O)N(CC)CC(=C)C)C(C)(C)C ZINC000661755387 414194660 /nfs/dbraw/zinc/19/46/60/414194660.db2.gz LSVKUXHUTSDHCI-UHFFFAOYSA-N 0 3 252.402 2.698 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C2CCC2)C1 ZINC000665284382 414253574 /nfs/dbraw/zinc/25/35/74/414253574.db2.gz JJBQNTDGBUHWFJ-OAHLLOKOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665357847 414297516 /nfs/dbraw/zinc/29/75/16/414297516.db2.gz XOWSBJOTRUHOIO-KGLIPLIRSA-N 0 3 279.428 2.609 20 30 CFEDHN CC(=O)c1cc(NC(=O)[C@H](N)CCCCC#N)ccc1C ZINC000655503591 414305610 /nfs/dbraw/zinc/30/56/10/414305610.db2.gz VGTBHGTVIZJUTE-OAHLLOKOSA-N 0 3 287.363 2.547 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCCN(CC)CC1 ZINC000665390631 414319425 /nfs/dbraw/zinc/31/94/25/414319425.db2.gz LIUBDZSXZJXCHL-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCCCN[C@@H](CO)c1ccc(F)cc1F ZINC000662163856 414439226 /nfs/dbraw/zinc/43/92/26/414439226.db2.gz STWIOOVQKNHTFW-AWEZNQCLSA-N 0 3 255.308 2.944 20 30 CFEDHN C=CCCCCN[C@H](CO)c1ccc(F)cc1F ZINC000662163858 414440039 /nfs/dbraw/zinc/44/00/39/414440039.db2.gz STWIOOVQKNHTFW-CQSZACIVSA-N 0 3 255.308 2.944 20 30 CFEDHN C=CCC[C@H](N[C@@H]1CCc2c(nnn2C)C1)c1ccco1 ZINC000655825695 414462122 /nfs/dbraw/zinc/46/21/22/414462122.db2.gz AOJZVASPQPVBTL-OLZOCXBDSA-N 0 3 286.379 2.563 20 30 CFEDHN C=CCOc1cccc(NC(=O)C2(NC3CC3)CCC2)c1 ZINC000662529338 414559612 /nfs/dbraw/zinc/55/96/12/414559612.db2.gz VTSPSPGELLLQBD-UHFFFAOYSA-N 0 3 286.375 2.865 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)[C@H](CO)C(=C)C ZINC000662527924 414560160 /nfs/dbraw/zinc/56/01/60/414560160.db2.gz BIELPWYXQOYTBZ-MRXNPFEDSA-N 0 3 261.365 2.620 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662629304 414580699 /nfs/dbraw/zinc/58/06/99/414580699.db2.gz ATKYNGQICGFLTO-ZDUSSCGKSA-N 0 3 270.376 2.718 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000662631495 414581461 /nfs/dbraw/zinc/58/14/61/414581461.db2.gz UUWAGJULFJLUAF-ZBFHGGJFSA-N 0 3 272.392 2.891 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000662637301 414583427 /nfs/dbraw/zinc/58/34/27/414583427.db2.gz VKHBVLZZJRVFMM-HOCLYGCPSA-N 0 3 272.392 2.544 20 30 CFEDHN CC[C@H](CNc1nc(C)ccc1C#N)N1CCCC1 ZINC000286070562 196487980 /nfs/dbraw/zinc/48/79/80/196487980.db2.gz JAXOQUWRJBDTPY-CQSZACIVSA-N 0 3 258.369 2.548 20 30 CFEDHN N#Cc1cc([N+](=O)[O-])ccc1NCCN1CCCCCC1 ZINC000040433120 174260563 /nfs/dbraw/zinc/26/05/63/174260563.db2.gz KBPOPDYUWVFESE-UHFFFAOYSA-N 0 3 288.351 2.754 20 30 CFEDHN C=CCCCN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000076488901 177027466 /nfs/dbraw/zinc/02/74/66/177027466.db2.gz PLECUVQURCYQFB-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN C=CCCCN(C)C(=O)NC1CCN(CC(=C)C)CC1 ZINC000076972904 177136148 /nfs/dbraw/zinc/13/61/48/177136148.db2.gz GFXKRZAFXSXASL-UHFFFAOYSA-N 0 3 279.428 2.635 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000347116359 226029864 /nfs/dbraw/zinc/02/98/64/226029864.db2.gz RWEGJHQXSBSBKW-GYSYKLTISA-N 0 3 292.766 2.788 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000347118857 226032043 /nfs/dbraw/zinc/03/20/43/226032043.db2.gz OBQMLDOJWBKZIT-WDEREUQCSA-N 0 3 264.756 2.889 20 30 CFEDHN COc1cccc(C2(CNC(=O)C(C)C#N)CCCC2)c1 ZINC000347099289 226048513 /nfs/dbraw/zinc/04/85/13/226048513.db2.gz DHVBCQIVSOTTCR-ZDUSSCGKSA-N 0 3 286.375 2.783 20 30 CFEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(C)C#N ZINC000347102164 226050722 /nfs/dbraw/zinc/05/07/22/226050722.db2.gz DGHLEJGEBZAOBV-NRUUGDAUSA-N 0 3 280.755 2.692 20 30 CFEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(C)C#N ZINC000347102160 226050808 /nfs/dbraw/zinc/05/08/08/226050808.db2.gz DGHLEJGEBZAOBV-CWSCBRNRSA-N 0 3 280.755 2.692 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1ccncn1 ZINC000354466830 227004520 /nfs/dbraw/zinc/00/45/20/227004520.db2.gz NHGJJVSHORAGQJ-NSHDSACASA-N 0 3 275.670 2.759 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000336528724 227095654 /nfs/dbraw/zinc/09/56/54/227095654.db2.gz VTWARJVQWAEPCB-TZMCWYRMSA-N 0 3 256.349 2.798 20 30 CFEDHN O=C(NC1CC1)[C@H]1CCCN1Cc1cccc2c[nH]nc21 ZINC000329013753 227257844 /nfs/dbraw/zinc/25/78/44/227257844.db2.gz PKFAZFHARHNTQD-CQSZACIVSA-N 0 3 284.363 2.646 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2cccc3c2OCCCO3)C1 ZINC000329989223 228008402 /nfs/dbraw/zinc/00/84/02/228008402.db2.gz VACRJMAPLVXEAN-JSGCOSHPSA-N 0 3 272.348 2.630 20 30 CFEDHN Cc1ccc(NC(=O)CN[C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000330212787 228068009 /nfs/dbraw/zinc/06/80/09/228068009.db2.gz DWRYSOVCZXNCGH-GOEBONIOSA-N 0 3 292.354 2.879 20 30 CFEDHN COc1cccc(C2(N[C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000353841021 228157950 /nfs/dbraw/zinc/15/79/50/228157950.db2.gz CZHGETVSDRZQMW-OCCSQVGLSA-N 0 3 256.349 2.966 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000336052168 228182631 /nfs/dbraw/zinc/18/26/31/228182631.db2.gz HFEXUEHABXDFCW-VXGBXAGGSA-N 0 3 291.782 2.585 20 30 CFEDHN C=CC[C@@H](C)N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000116907919 260006892 /nfs/dbraw/zinc/00/68/92/260006892.db2.gz UTBGPBAGSOBYDZ-IAQYHMDHSA-N 0 3 276.355 2.700 20 30 CFEDHN CC[C@H]1C[C@H](CN(CCC#N)CC2CC2)CCO1 ZINC000356993588 260122477 /nfs/dbraw/zinc/12/24/77/260122477.db2.gz NYGCNMWRFUOVIX-CABCVRRESA-N 0 3 250.386 2.817 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000497138794 260179590 /nfs/dbraw/zinc/17/95/90/260179590.db2.gz VSPBALFXSZGIKE-STQMWFEESA-N 0 3 293.411 2.716 20 30 CFEDHN CO[C@H]1CCC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000086037889 260206570 /nfs/dbraw/zinc/20/65/70/260206570.db2.gz KPIVBHWLMPTALH-YZUHTNEWSA-N 0 3 270.376 2.767 20 30 CFEDHN N#CC1(c2ccccc2)CC(NCc2cccnc2)C1 ZINC000086036425 260206642 /nfs/dbraw/zinc/20/66/42/260206642.db2.gz RTDHZBOMRNYYTL-UHFFFAOYSA-N 0 3 263.344 2.795 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC[C@@H]2CCCC[C@H]2O)C1 ZINC000086038729 260207038 /nfs/dbraw/zinc/20/70/38/260207038.db2.gz ITWVOLGWMRXPOD-FQXVJMBOSA-N 0 3 284.403 2.751 20 30 CFEDHN CC[C@H]1CC[C@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000408089205 260224247 /nfs/dbraw/zinc/22/42/47/260224247.db2.gz ISTQFGPZHQBECD-KBPBESRZSA-N 0 3 277.412 2.592 20 30 CFEDHN COC(=O)c1cc(CN(C)CCCCC#N)oc1C ZINC000069591366 260261807 /nfs/dbraw/zinc/26/18/07/260261807.db2.gz QIEYQCUXBXVGSQ-UHFFFAOYSA-N 0 3 264.325 2.500 20 30 CFEDHN Cc1nn(C)cc1[C@H]1CCCN1CCC(C)(C)C#N ZINC000363460368 260262548 /nfs/dbraw/zinc/26/25/48/260262548.db2.gz BRPBKOANLDZTEZ-CQSZACIVSA-N 0 3 260.385 2.805 20 30 CFEDHN CC[C@H]1CN2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000363467340 260263385 /nfs/dbraw/zinc/26/33/85/260263385.db2.gz JHKXMPAYDYWIIX-GJZGRUSLSA-N 0 3 263.429 2.875 20 30 CFEDHN CCOC[C@@H]1CCCCN1CCOc1ccccc1C#N ZINC000313482487 260297988 /nfs/dbraw/zinc/29/79/88/260297988.db2.gz JOSFDQRAQJDYFL-INIZCTEOSA-N 0 3 288.391 2.828 20 30 CFEDHN CN(CCCC#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000081014316 260328925 /nfs/dbraw/zinc/32/89/25/260328925.db2.gz MAMMAZVAOUHCAD-INIZCTEOSA-N 0 3 257.381 2.891 20 30 CFEDHN CCCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000085256893 260372114 /nfs/dbraw/zinc/37/21/14/260372114.db2.gz HPDGIQHLGPHABZ-DTQAZKPQSA-N 0 3 262.353 2.674 20 30 CFEDHN CC[C@H](CC#N)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000157064926 260822005 /nfs/dbraw/zinc/82/20/05/260822005.db2.gz UTIYEULNHNNXLZ-CYBMUJFWSA-N 0 3 274.368 2.562 20 30 CFEDHN N#CCCN(C(=O)CN1C[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000153148238 261074152 /nfs/dbraw/zinc/07/41/52/261074152.db2.gz MFRSIKHSNKFTAU-HZPDHXFCSA-N 0 3 297.402 2.665 20 30 CFEDHN C#CCN(CC)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000490853995 261230742 /nfs/dbraw/zinc/23/07/42/261230742.db2.gz WWXKZRXZCGQRAQ-ZDUSSCGKSA-N 0 3 285.309 2.564 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000309723476 262008868 /nfs/dbraw/zinc/00/88/68/262008868.db2.gz MUOSCDCNRHKUPU-QILLFSRXSA-N 0 3 299.418 2.705 20 30 CFEDHN C[C@]1(c2ccccc2)CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC000187143919 262126084 /nfs/dbraw/zinc/12/60/84/262126084.db2.gz KINPTVWPXDOUKE-MSOLQXFVSA-N 0 3 283.419 2.638 20 30 CFEDHN Cc1cc(C)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354464630 262173296 /nfs/dbraw/zinc/17/32/96/262173296.db2.gz IUYDDDYFTRJWGZ-ZDUSSCGKSA-N 0 3 251.289 2.584 20 30 CFEDHN CC#CCN(C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000364370812 262219151 /nfs/dbraw/zinc/21/91/51/262219151.db2.gz BGIHWTXQUASLEO-UHFFFAOYSA-N 0 3 294.402 2.554 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000111256978 262258358 /nfs/dbraw/zinc/25/83/58/262258358.db2.gz ZNCDHALNKYRPKP-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000111258186 262258754 /nfs/dbraw/zinc/25/87/54/262258754.db2.gz FMDVOVFCBYTXGD-CYBMUJFWSA-N 0 3 290.382 2.728 20 30 CFEDHN C=CC1CCN(Cc2cccc(C(=O)OC)c2)CC1 ZINC000111259804 262258814 /nfs/dbraw/zinc/25/88/14/262258814.db2.gz ZASNRVSAQPFJEM-UHFFFAOYSA-N 0 3 259.349 2.871 20 30 CFEDHN N#CC(C(=O)c1ccc2ncccc2c1)c1ccncn1 ZINC000354473610 262262344 /nfs/dbraw/zinc/26/23/44/262262344.db2.gz VUMSURFBNUFTMI-ZDUSSCGKSA-N 0 3 274.283 2.515 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OCCCC)cc1 ZINC000184287632 262276606 /nfs/dbraw/zinc/27/66/06/262276606.db2.gz LBTMNTPOUDUBRN-HNNXBMFYSA-N 0 3 263.381 2.892 20 30 CFEDHN CC[C@H](CC#N)N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495687642 262286633 /nfs/dbraw/zinc/28/66/33/262286633.db2.gz LIUCFVLVUSJMDO-WCQYABFASA-N 0 3 281.400 2.524 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CCN(CCC2CC2)CC1 ZINC000336828168 262398209 /nfs/dbraw/zinc/39/82/09/262398209.db2.gz VMKGTKUUPRULKT-QGZVFWFLSA-N 0 3 269.392 2.669 20 30 CFEDHN C[C@@H]1N(CCCC2(C#N)CCOCC2)CCOC1(C)C ZINC000337147620 262427069 /nfs/dbraw/zinc/42/70/69/262427069.db2.gz GNCQUPWATBHIIL-AWEZNQCLSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](Cc3ccccc3)[C@H]2C)C1=O ZINC000337196833 262432125 /nfs/dbraw/zinc/43/21/25/262432125.db2.gz WQBYXSFRSDWYSF-NXHRZFHOSA-N 0 3 298.430 2.726 20 30 CFEDHN CCCCN(C)C(=O)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338930680 262571512 /nfs/dbraw/zinc/57/15/12/262571512.db2.gz WGSMOEJOFZQZTN-HOCLYGCPSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCOCCN(Cc1ccccc1)C[C@@](C)(O)CC ZINC000339113422 262602516 /nfs/dbraw/zinc/60/25/16/262602516.db2.gz FQTYRKZCSDEREY-KRWDZBQOSA-N 0 3 277.408 2.852 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc(C2CC2)cs1 ZINC000411639231 262700432 /nfs/dbraw/zinc/70/04/32/262700432.db2.gz IQVOLHNPMOBRMP-UHFFFAOYSA-N 0 3 279.453 2.960 20 30 CFEDHN C[C@H]1CCN(CCC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000271948751 263000635 /nfs/dbraw/zinc/00/06/35/263000635.db2.gz ANEKKFNZXHKBGL-UONOGXRCSA-N 0 3 260.385 2.706 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1C)C1CC1 ZINC000271996885 263001285 /nfs/dbraw/zinc/00/12/85/263001285.db2.gz HJSBJTVLYVWFID-SFHVURJKSA-N 0 3 299.418 2.798 20 30 CFEDHN C=CCc1cc(CNCCCC#N)cc(OC)c1O ZINC000273111688 263012750 /nfs/dbraw/zinc/01/27/50/263012750.db2.gz XNHHPKMATKQXSQ-UHFFFAOYSA-N 0 3 260.337 2.523 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000277979030 263044808 /nfs/dbraw/zinc/04/48/08/263044808.db2.gz QMXRZKKVKVXJPZ-INIZCTEOSA-N 0 3 299.418 2.903 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccnn2)c([O-])c1 ZINC000278296394 263046604 /nfs/dbraw/zinc/04/66/04/263046604.db2.gz QKFLGUKYEVEOEJ-GZTJUZNOSA-N 0 3 284.363 2.648 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000278325866 263046848 /nfs/dbraw/zinc/04/68/48/263046848.db2.gz GPUMFTWDWFHDGF-PQEBFOHHSA-N 0 3 285.391 2.974 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(C3OCCO3)cc2)C1 ZINC000278385252 263047890 /nfs/dbraw/zinc/04/78/90/263047890.db2.gz DITOYKYERYFINW-GOEBONIOSA-N 0 3 286.375 2.904 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000452227798 263048709 /nfs/dbraw/zinc/04/87/09/263048709.db2.gz DNALIKXRMIXKDK-UTINFBMNSA-N 0 3 262.275 2.724 20 30 CFEDHN Cc1ccccc1OCCN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278672355 263049738 /nfs/dbraw/zinc/04/97/38/263049738.db2.gz RBPWDSDRQVGPCS-HUUCEWRRSA-N 0 3 258.365 2.998 20 30 CFEDHN Cc1ccccc1CN1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278773734 263050918 /nfs/dbraw/zinc/05/09/18/263050918.db2.gz YYHSVINTPUCRNK-AEFFLSMTSA-N 0 3 283.419 2.805 20 30 CFEDHN CC1(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279292361 263054341 /nfs/dbraw/zinc/05/43/41/263054341.db2.gz COHJBBONFWSZKF-HNNXBMFYSA-N 0 3 281.359 2.547 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2=CCCC2)cc1 ZINC000279880279 263057917 /nfs/dbraw/zinc/05/79/17/263057917.db2.gz CMSAEWJFRLLTQL-QGZVFWFLSA-N 0 3 293.370 2.857 20 30 CFEDHN CCC(C)(C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280156978 263059335 /nfs/dbraw/zinc/05/93/35/263059335.db2.gz WSQTWGPLOKVUER-HNNXBMFYSA-N 0 3 283.375 2.793 20 30 CFEDHN CC1=C(C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280157039 263059405 /nfs/dbraw/zinc/05/94/05/263059405.db2.gz DQYHTRZZTOUXRK-QGZVFWFLSA-N 0 3 293.370 2.809 20 30 CFEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)[C@H]1C ZINC000280329852 263060481 /nfs/dbraw/zinc/06/04/81/263060481.db2.gz HDJNPMUCNPQHHG-JKIFEVAISA-N 0 3 295.386 2.888 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCOC[C@@H]2OCC)c1 ZINC000353196034 263071486 /nfs/dbraw/zinc/07/14/86/263071486.db2.gz WGQADCNIHIACPP-IRXDYDNUSA-N 0 3 291.391 2.535 20 30 CFEDHN Cn1cc(-c2ccc(CNCCCC#N)s2)cn1 ZINC000282222685 263075191 /nfs/dbraw/zinc/07/51/91/263075191.db2.gz KJAODIGJQXUCNR-UHFFFAOYSA-N 0 3 260.366 2.542 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)[C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000340155159 263080062 /nfs/dbraw/zinc/08/00/62/263080062.db2.gz JPCLFBJPWAALRQ-MAUKXSAKSA-N 0 3 298.430 2.899 20 30 CFEDHN COCC1(NCc2ccc(N(C)CCC#N)cc2)CCC1 ZINC000284105759 263085932 /nfs/dbraw/zinc/08/59/32/263085932.db2.gz SIVNNAIDBPHOPC-UHFFFAOYSA-N 0 3 287.407 2.695 20 30 CFEDHN CN(CCCSCC#N)CCc1ccccc1[N+](=O)[O-] ZINC000285361465 263092618 /nfs/dbraw/zinc/09/26/18/263092618.db2.gz QIXTYZIUMOYXTO-UHFFFAOYSA-N 0 3 293.392 2.716 20 30 CFEDHN CC(C)(C#N)CCCCN(CCCO)Cc1ccccn1 ZINC000286763062 263099552 /nfs/dbraw/zinc/09/95/52/263099552.db2.gz GBNHHNRTIHYMCO-UHFFFAOYSA-N 0 3 289.423 2.986 20 30 CFEDHN CC(C)(CCC#N)CNCc1noc2c1CCCC2 ZINC000288562793 263104860 /nfs/dbraw/zinc/10/48/60/263104860.db2.gz YUCIGXKRVGYDKW-UHFFFAOYSA-N 0 3 261.369 2.973 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)C(C)(C)C ZINC000340290000 263104979 /nfs/dbraw/zinc/10/49/79/263104979.db2.gz MHGZEEMZOPEGTD-MRXNPFEDSA-N 0 3 272.392 2.953 20 30 CFEDHN C#C[C@H](NCc1ccc(N(C)CCC#N)cc1)C(C)C ZINC000289321785 263109102 /nfs/dbraw/zinc/10/91/02/263109102.db2.gz FUHNZPJIVUJZQT-KRWDZBQOSA-N 0 3 269.392 2.784 20 30 CFEDHN N#CC1CCC(C[NH2+][C@H](c2nnc[n-]2)c2ccccc2)CC1 ZINC000290423624 263116517 /nfs/dbraw/zinc/11/65/17/263116517.db2.gz UVODHUZPXPJASJ-XUJLQICISA-N 0 3 295.390 2.814 20 30 CFEDHN N#CC1CCC(CN[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000290423624 263116518 /nfs/dbraw/zinc/11/65/18/263116518.db2.gz UVODHUZPXPJASJ-XUJLQICISA-N 0 3 295.390 2.814 20 30 CFEDHN CN(Cc1ccccc1)[C@@H](CNC(=O)CCCC#N)C1CC1 ZINC000291602295 263124022 /nfs/dbraw/zinc/12/40/22/263124022.db2.gz CCCIBKVWPCLXOG-KRWDZBQOSA-N 0 3 299.418 2.707 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)CCCC#N)c1 ZINC000291913295 263126680 /nfs/dbraw/zinc/12/66/80/263126680.db2.gz MOELVLAAUKVGNL-UHFFFAOYSA-N 0 3 259.353 2.689 20 30 CFEDHN N#CCCCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000292790390 263135123 /nfs/dbraw/zinc/13/51/23/263135123.db2.gz XYBHDTFFGOHZCQ-MRXNPFEDSA-N 0 3 285.391 2.634 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nnc4ccccn43)C2)C1 ZINC000292998404 263137029 /nfs/dbraw/zinc/13/70/29/263137029.db2.gz GOIJBVJDRKFLPQ-RBSFLKMASA-N 0 3 295.390 2.601 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(CO)(c3ccccc3)CC2)C1 ZINC000293692803 263147113 /nfs/dbraw/zinc/14/71/13/263147113.db2.gz WMAAIHFQRBRVIG-NVXWUHKLSA-N 0 3 284.403 2.705 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(CO)(c3ccccc3)CC2)C1 ZINC000293692806 263147141 /nfs/dbraw/zinc/14/71/41/263147141.db2.gz WMAAIHFQRBRVIG-RDJZCZTQSA-N 0 3 284.403 2.705 20 30 CFEDHN CC(C)Oc1cccc(CN(C)CCOCCC#N)c1 ZINC000293832561 263150794 /nfs/dbraw/zinc/15/07/94/263150794.db2.gz PXJNFRQYUMOTLR-UHFFFAOYSA-N 0 3 276.380 2.836 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(SCC)cc1 ZINC000353562322 263163661 /nfs/dbraw/zinc/16/36/61/263163661.db2.gz BLWOKZNANQNMKY-AAEUAGOBSA-N 0 3 251.395 2.996 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(O)(c3ccccc3)CC2)C1 ZINC000294649936 263165346 /nfs/dbraw/zinc/16/53/46/263165346.db2.gz QOYNXHJOUYIBJQ-HOCLYGCPSA-N 0 3 270.376 2.662 20 30 CFEDHN C#CCOc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000294930505 263169322 /nfs/dbraw/zinc/16/93/22/263169322.db2.gz GDSVQVIOERZLOC-CVEARBPZSA-N 0 3 268.360 2.871 20 30 CFEDHN CO[C@@H](Cc1ccccc1)CN1CCC(C)(C#N)CC1 ZINC000294920324 263169336 /nfs/dbraw/zinc/16/93/36/263169336.db2.gz GNYFPHWGNXQKLP-INIZCTEOSA-N 0 3 272.392 2.870 20 30 CFEDHN C#CCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000294930512 263169471 /nfs/dbraw/zinc/16/94/71/263169471.db2.gz GDSVQVIOERZLOC-JKSUJKDBSA-N 0 3 268.360 2.871 20 30 CFEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1cccc(C2CC2)c1 ZINC000295558455 263179526 /nfs/dbraw/zinc/17/95/26/263179526.db2.gz XSAXAPZMBUQNOG-KGLIPLIRSA-N 0 3 299.418 2.975 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](C)c2ccsc21 ZINC000453178599 263199135 /nfs/dbraw/zinc/19/91/35/263199135.db2.gz HTNMLSPLULUHIN-ZYHUDNBSSA-N 0 3 264.394 2.578 20 30 CFEDHN COC(=O)COc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299220004 263235494 /nfs/dbraw/zinc/23/54/94/263235494.db2.gz HPXMSVOZPQMSNN-QWHCGFSZSA-N 0 3 290.363 2.581 20 30 CFEDHN COC(=O)COc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000299220002 263235589 /nfs/dbraw/zinc/23/55/89/263235589.db2.gz HPXMSVOZPQMSNN-OLZOCXBDSA-N 0 3 290.363 2.581 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(O)(c2ccccc2)CC1 ZINC000299448174 263242701 /nfs/dbraw/zinc/24/27/01/263242701.db2.gz WLEMLLUGPKIVJL-AWEZNQCLSA-N 0 3 258.365 2.662 20 30 CFEDHN Cc1ccccc1C(=O)NC1CCN(CCCCC#N)CC1 ZINC000299520906 263244850 /nfs/dbraw/zinc/24/48/50/263244850.db2.gz DVTBLGIMWWYYGA-UHFFFAOYSA-N 0 3 299.418 2.883 20 30 CFEDHN C[C@H](CC#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299698054 263253083 /nfs/dbraw/zinc/25/30/83/263253083.db2.gz ZDPODGZHRNQQNW-CQSZACIVSA-N 0 3 285.391 2.704 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000340662470 263256444 /nfs/dbraw/zinc/25/64/44/263256444.db2.gz PXDWATYNJJXWJM-CHWSQXEVSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000120332684 263284237 /nfs/dbraw/zinc/28/42/37/263284237.db2.gz IHVLMYFQUSZGNS-KBPBESRZSA-N 0 3 290.407 2.815 20 30 CFEDHN C=CCN(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121179971 263290447 /nfs/dbraw/zinc/29/04/47/263290447.db2.gz MRLDUDPUOQBTKX-CYBMUJFWSA-N 0 3 273.298 2.727 20 30 CFEDHN C=CCN(C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000121497365 263295059 /nfs/dbraw/zinc/29/50/59/263295059.db2.gz SBKMKHGIAUAEII-GFCCVEGCSA-N 0 3 269.772 2.506 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(CC#N)c1 ZINC000341042133 263318684 /nfs/dbraw/zinc/31/86/84/263318684.db2.gz QOWAJMUDPLOIET-GJZGRUSLSA-N 0 3 299.418 2.745 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1ncc(C)n1C)C(C)C ZINC000341095163 263321648 /nfs/dbraw/zinc/32/16/48/263321648.db2.gz RTIDDNLAZYDJMV-INIZCTEOSA-N 0 3 290.455 2.517 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N(CCN(C)C)CC(C)C ZINC000341430123 263337350 /nfs/dbraw/zinc/33/73/50/263337350.db2.gz IVAXVKGFPZNRQF-AWEZNQCLSA-N 0 3 269.433 2.570 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341648696 263345588 /nfs/dbraw/zinc/34/55/88/263345588.db2.gz JDPHUQXCCLXAOR-SQWLQELKSA-N 0 3 287.407 2.523 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccccc1 ZINC000341786917 263351674 /nfs/dbraw/zinc/35/16/74/263351674.db2.gz FDFYDFMBVPETFU-KEYYUXOJSA-N 0 3 287.407 2.780 20 30 CFEDHN CC(C)[C@@H](C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000341803624 263354265 /nfs/dbraw/zinc/35/42/65/263354265.db2.gz AAPULNABBDQLJT-CQSZACIVSA-N 0 3 279.428 2.648 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(OC)cc1F ZINC000341870134 263360659 /nfs/dbraw/zinc/36/06/59/263360659.db2.gz BCCSVTXWAJXHGA-RYUDHWBXSA-N 0 3 267.344 2.670 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000341883979 263363391 /nfs/dbraw/zinc/36/33/91/263363391.db2.gz JNFWDFFAMYSQAS-IINYFYTJSA-N 0 3 267.319 2.726 20 30 CFEDHN CC#CCCN(Cc1ccccc1)CC1(CO)CC1 ZINC000341948222 263368014 /nfs/dbraw/zinc/36/80/14/263368014.db2.gz WFRZXUGXHFUJRI-UHFFFAOYSA-N 0 3 257.377 2.675 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000342004795 263376413 /nfs/dbraw/zinc/37/64/13/263376413.db2.gz NSFKBJJZZIYKDA-AWEZNQCLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C1CCN(C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000342012292 263377671 /nfs/dbraw/zinc/37/76/71/263377671.db2.gz SQMWWSWCOISZTE-MRXNPFEDSA-N 0 3 275.392 2.695 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000342184098 263395032 /nfs/dbraw/zinc/39/50/32/263395032.db2.gz PTRHZUZLNPIPOS-HNNXBMFYSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000342724491 263479390 /nfs/dbraw/zinc/47/93/90/263479390.db2.gz REJMYOLAEAOVEC-CYBMUJFWSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)CC1CCN(C)CC1 ZINC000342833626 263515415 /nfs/dbraw/zinc/51/54/15/263515415.db2.gz GMNMMPQGSDDXCL-UHFFFAOYSA-N 0 3 296.455 2.550 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000342873849 263535857 /nfs/dbraw/zinc/53/58/57/263535857.db2.gz RTDHMSDWQFTSIM-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(C)C#N ZINC000334414099 263616710 /nfs/dbraw/zinc/61/67/10/263616710.db2.gz MVMYPOKFKUFPGY-BXKDBHETSA-N 0 3 260.337 2.877 20 30 CFEDHN C=CCCc1ccccc1NC(=O)N1CCCNCC1 ZINC000415673392 263642237 /nfs/dbraw/zinc/64/22/37/263642237.db2.gz MKUMEIHKQGMNIV-UHFFFAOYSA-N 0 3 273.380 2.632 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2C(C)(C)C2(C)C)CC1 ZINC000353720425 263811265 /nfs/dbraw/zinc/81/12/65/263811265.db2.gz LHACIKFSJHICPN-UHFFFAOYSA-N 0 3 293.455 2.618 20 30 CFEDHN CC(C)c1noc2ncc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000330681198 264002740 /nfs/dbraw/zinc/00/27/40/264002740.db2.gz OOGWBTDFXIQHAX-JTQLQIEISA-N 0 3 290.367 2.601 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC000330675599 264014540 /nfs/dbraw/zinc/01/45/40/264014540.db2.gz SGYSHEFMENHQLK-ZDUSSCGKSA-N 0 3 290.411 2.526 20 30 CFEDHN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000330887966 264063505 /nfs/dbraw/zinc/06/35/05/264063505.db2.gz AJYBRQOLINDZHM-ZYHUDNBSSA-N 0 3 291.351 2.691 20 30 CFEDHN CCc1ocnc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000330975196 264101400 /nfs/dbraw/zinc/10/14/00/264101400.db2.gz NZSTZPXECBUTEN-UHFFFAOYSA-N 0 3 279.384 2.664 20 30 CFEDHN C=CCOc1cccc(CN2CCC3(CC2)OCCO3)c1 ZINC000126083614 264122994 /nfs/dbraw/zinc/12/29/94/264122994.db2.gz VVRVVOGHAYVUPS-UHFFFAOYSA-N 0 3 289.375 2.590 20 30 CFEDHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC000331246865 264179520 /nfs/dbraw/zinc/17/95/20/264179520.db2.gz VJMFZRAUWLFGPH-GFCCVEGCSA-N 0 3 292.379 2.580 20 30 CFEDHN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC000331246865 264179521 /nfs/dbraw/zinc/17/95/21/264179521.db2.gz VJMFZRAUWLFGPH-GFCCVEGCSA-N 0 3 292.379 2.580 20 30 CFEDHN CC(C)(C)C[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000126997013 264246076 /nfs/dbraw/zinc/24/60/76/264246076.db2.gz WOMBUUBBLOIAEA-YOEHRIQHSA-N 0 3 291.439 2.695 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@](CC)(CO)C2)cc1 ZINC000190221389 264395577 /nfs/dbraw/zinc/39/55/77/264395577.db2.gz VRTUDVRFQDPVRB-SFHVURJKSA-N 0 3 287.403 2.683 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccccc1CC#N ZINC000519180105 265358935 /nfs/dbraw/zinc/35/89/35/265358935.db2.gz IWIWTARGUQZRQS-LBPRGKRZSA-N 0 3 273.380 2.858 20 30 CFEDHN CN(CCN(C)C1CC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356777267 266174235 /nfs/dbraw/zinc/17/42/35/266174235.db2.gz KQARHNXBXRYPHZ-INIZCTEOSA-N 0 3 299.418 2.627 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](C)C2(CCC2)C1 ZINC000357047265 266238204 /nfs/dbraw/zinc/23/82/04/266238204.db2.gz VHEKEOYHRVRRJZ-CABCVRRESA-N 0 3 291.439 2.507 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114494527 266307791 /nfs/dbraw/zinc/30/77/91/266307791.db2.gz RWWFKEWPLXJTKM-WBVHZDCISA-N 0 3 289.423 2.569 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000357523036 266315990 /nfs/dbraw/zinc/31/59/90/266315990.db2.gz RXZTWCQZRZOGMS-MELADBBJSA-N 0 3 293.411 2.973 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](Cc2ccccc2)C1 ZINC000357723701 266351268 /nfs/dbraw/zinc/35/12/68/266351268.db2.gz AQTJGYNFXFNWQN-SFHVURJKSA-N 0 3 298.430 2.752 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1(C)CC1)C(C)C ZINC000357780816 266359506 /nfs/dbraw/zinc/35/95/06/266359506.db2.gz QJZVTKAMSMZPOV-HNNXBMFYSA-N 0 3 293.455 2.784 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000357808359 266369677 /nfs/dbraw/zinc/36/96/77/266369677.db2.gz URWFPNUHWPTSFO-BDAKNGLRSA-N 0 3 286.253 2.922 20 30 CFEDHN CCCN(CCN1CCCCCC1)C(=O)NCCCC#N ZINC000359208037 266551509 /nfs/dbraw/zinc/55/15/09/266551509.db2.gz ZOGSMSNYJLERFZ-UHFFFAOYSA-N 0 3 294.443 2.588 20 30 CFEDHN CC#CCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000360142982 266686604 /nfs/dbraw/zinc/68/66/04/266686604.db2.gz YWXUXZRGSFHELK-VQIMIIECSA-N 0 3 299.462 2.946 20 30 CFEDHN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000362541331 267004312 /nfs/dbraw/zinc/00/43/12/267004312.db2.gz LCPVNSIOFWWKAJ-CHWSQXEVSA-N 0 3 274.364 2.948 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)CC)CC1 ZINC000362598072 267017481 /nfs/dbraw/zinc/01/74/81/267017481.db2.gz GKMUCGCTVSAPLJ-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(CC)(CC)CC1 ZINC000362605934 267020391 /nfs/dbraw/zinc/02/03/91/267020391.db2.gz JPVRVGSWVCRUGJ-OAHLLOKOSA-N 0 3 293.455 2.897 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)CC1CCN(C)CC1 ZINC000362723300 267038293 /nfs/dbraw/zinc/03/82/93/267038293.db2.gz MOMMJPXCNMCVRN-UHFFFAOYSA-N 0 3 293.455 2.897 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(-n2ccnc2C)c(F)c1 ZINC000367664377 267107719 /nfs/dbraw/zinc/10/77/19/267107719.db2.gz SQCVEUSBSFUCNX-NSHDSACASA-N 0 3 257.312 2.604 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000399701954 267142524 /nfs/dbraw/zinc/14/25/24/267142524.db2.gz YBJIUPYDFQTFOT-ZOBORPQBSA-N 0 3 285.391 2.862 20 30 CFEDHN CC1(C)CN(CCCSCC#N)[C@H]1[C@H]1CCCO1 ZINC000368055152 267143157 /nfs/dbraw/zinc/14/31/57/267143157.db2.gz HGTPHJXCRUFBNO-OLZOCXBDSA-N 0 3 268.426 2.523 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000368177071 267150929 /nfs/dbraw/zinc/15/09/29/267150929.db2.gz FGVUAGAJZSSOLC-KRWDZBQOSA-N 0 3 293.455 2.860 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](c3ccc(C)cc3)C2)C1=O ZINC000368534575 267180666 /nfs/dbraw/zinc/18/06/66/267180666.db2.gz NWCFHXJZHHBURE-IAGOWNOFSA-N 0 3 284.403 2.571 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)CC2(CCOCC2)O1 ZINC000369315593 267235181 /nfs/dbraw/zinc/23/51/81/267235181.db2.gz VPYPBDLRLPOWBX-OAHLLOKOSA-N 0 3 294.439 2.976 20 30 CFEDHN CC(C)C(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000369361621 267237861 /nfs/dbraw/zinc/23/78/61/267237861.db2.gz GURIRXWFAOJVMO-UHFFFAOYSA-N 0 3 293.455 2.897 20 30 CFEDHN C=C(C)CN1CCC(CO)(Nc2ccccc2)CC1 ZINC000369513261 267247853 /nfs/dbraw/zinc/24/78/53/267247853.db2.gz XTIMFNPAAPYVRV-UHFFFAOYSA-N 0 3 260.381 2.502 20 30 CFEDHN CC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@]2(CCOC2)O1 ZINC000369530458 267249581 /nfs/dbraw/zinc/24/95/81/267249581.db2.gz HELJGMUFUFDZFP-NVXWUHKLSA-N 0 3 294.439 2.976 20 30 CFEDHN C#Cc1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000369682401 267259783 /nfs/dbraw/zinc/25/97/83/267259783.db2.gz SDXGASGSATWGQL-GOSISDBHSA-N 0 3 299.414 2.685 20 30 CFEDHN CN(Cc1ccc(C#N)cn1)[C@H]1CCc2ccccc2C1 ZINC000516935401 267314326 /nfs/dbraw/zinc/31/43/26/267314326.db2.gz XCTQUTICXQEKIG-SFHVURJKSA-N 0 3 277.371 2.943 20 30 CFEDHN CC(C)c1nccn1C[C@H]1CCCN1CCCC#N ZINC000371068668 267349445 /nfs/dbraw/zinc/34/94/45/267349445.db2.gz IHSJARLPGDKFIK-CQSZACIVSA-N 0 3 260.385 2.775 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCN(CC(F)F)C1 ZINC000418131328 267359485 /nfs/dbraw/zinc/35/94/85/267359485.db2.gz HTAFFAHXQGCLBD-AWEZNQCLSA-N 0 3 296.361 2.680 20 30 CFEDHN COc1ccc2c(c1)C[C@@H](NCC1(C#N)CCC1)CC2 ZINC000418142762 267363201 /nfs/dbraw/zinc/36/32/01/267363201.db2.gz NQCQCQSZVOYDKT-HNNXBMFYSA-N 0 3 270.376 2.836 20 30 CFEDHN CC(C)(C)CC(=O)N1CCC(NCC2(C#N)CCC2)CC1 ZINC000418143814 267365150 /nfs/dbraw/zinc/36/51/50/267365150.db2.gz RFXMJOBRPBRWBK-UHFFFAOYSA-N 0 3 291.439 2.697 20 30 CFEDHN N#CC1(CN[C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCC1 ZINC000418145406 267365994 /nfs/dbraw/zinc/36/59/94/267365994.db2.gz XWORUXVDAIBBCA-RRFJBIMHSA-N 0 3 262.397 2.865 20 30 CFEDHN C#CCCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000120126807 267385735 /nfs/dbraw/zinc/38/57/35/267385735.db2.gz YAHHMMKFJLKKIP-INIZCTEOSA-N 0 3 284.403 2.700 20 30 CFEDHN C=C(C)CN1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000375625617 267880490 /nfs/dbraw/zinc/88/04/90/267880490.db2.gz UOPGOCNMCNCDHF-UHFFFAOYSA-N 0 3 291.395 2.581 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2(F)CCC2)cc1 ZINC000359806306 268089407 /nfs/dbraw/zinc/08/94/07/268089407.db2.gz OIFHBWUEZYQBIF-OAHLLOKOSA-N 0 3 299.349 2.639 20 30 CFEDHN Cn1ncc2c1CCC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000519037884 268134492 /nfs/dbraw/zinc/13/44/92/268134492.db2.gz OVYWTPORSQHBDG-IAGOWNOFSA-N 0 3 292.386 2.946 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN2C2CCCC2)c(F)c1 ZINC000527805894 268233831 /nfs/dbraw/zinc/23/38/31/268233831.db2.gz IWFMGFJWXAJFSL-INIZCTEOSA-N 0 3 287.382 2.804 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@H]2CCC[C@@H]2C2CC2)C(N)=O)cc1 ZINC000516917103 268263227 /nfs/dbraw/zinc/26/32/27/268263227.db2.gz RCMXZBZJINIOQB-ZACQAIPSSA-N 0 3 297.402 2.501 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000520757881 268313540 /nfs/dbraw/zinc/31/35/40/268313540.db2.gz BLQDIXRTCRDHNS-LBPRGKRZSA-N 0 3 274.343 2.521 20 30 CFEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)[C@H](C)CN1C ZINC000335975346 274345650 /nfs/dbraw/zinc/34/56/50/274345650.db2.gz NFNJAIIKOQMFQA-ZIAGYGMSSA-N 0 3 276.811 2.716 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2nccc(C#N)c2Cl)CCN1C ZINC000235367714 274395107 /nfs/dbraw/zinc/39/51/07/274395107.db2.gz YCYCGFCDDILCCI-KOLCDFICSA-N 0 3 264.760 2.501 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc2c(c1C#N)CCC2 ZINC000425253399 274621467 /nfs/dbraw/zinc/62/14/67/274621467.db2.gz KRMFWPCNXXRSQR-ZFWWWQNUSA-N 0 3 296.418 2.505 20 30 CFEDHN Fc1ccc(C#CCN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000269628542 274910702 /nfs/dbraw/zinc/91/07/02/274910702.db2.gz PGYUEWRDSLARCM-UHFFFAOYSA-N 0 3 283.350 2.780 20 30 CFEDHN N#Cc1cc(F)c(N2CC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000072089506 274919432 /nfs/dbraw/zinc/91/94/32/274919432.db2.gz ZDWQYMBSYZRMMQ-GFCCVEGCSA-N 0 3 277.318 2.511 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000284338962 275388774 /nfs/dbraw/zinc/38/87/74/275388774.db2.gz CAPBTCUGFPWWDN-IAGOWNOFSA-N 0 3 255.361 2.682 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000348194670 275421622 /nfs/dbraw/zinc/42/16/22/275421622.db2.gz XPJRONAASYIKFK-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN CCOCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352852832 276325715 /nfs/dbraw/zinc/32/57/15/276325715.db2.gz KSVATEFTJYUBJP-UHFFFAOYSA-N 0 3 272.270 2.703 20 30 CFEDHN C#CCNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278366148 276788206 /nfs/dbraw/zinc/78/82/06/276788206.db2.gz SBCHJVOKLOEAGJ-UHFFFAOYSA-N 0 3 283.293 2.934 20 30 CFEDHN CC(C)(CCC#N)CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354699976 277295501 /nfs/dbraw/zinc/29/55/01/277295501.db2.gz GUXSQPCTOJCFEE-HOCLYGCPSA-N 0 3 262.397 2.960 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)cc1 ZINC000411889414 277771062 /nfs/dbraw/zinc/77/10/62/277771062.db2.gz UIDHMHFHGYLHTH-MSOLQXFVSA-N 0 3 278.355 2.960 20 30 CFEDHN C=C(C)CN(CCN1CCCCC1)Cc1ccc(CO)o1 ZINC000352802678 277774127 /nfs/dbraw/zinc/77/41/27/277774127.db2.gz MVRJOSDIXQEGKP-UHFFFAOYSA-N 0 3 292.423 2.636 20 30 CFEDHN C=CCSCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185968812 277879123 /nfs/dbraw/zinc/87/91/23/277879123.db2.gz IURXGQXJPRVZBX-NSHDSACASA-N 0 3 267.394 2.971 20 30 CFEDHN C[C@H](CC1CCOCC1)CN1CCC(F)(C#N)CC1 ZINC000348705772 278166535 /nfs/dbraw/zinc/16/65/35/278166535.db2.gz GQOIDWRGNUVORG-CYBMUJFWSA-N 0 3 268.376 2.767 20 30 CFEDHN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329644026 278182281 /nfs/dbraw/zinc/18/22/81/278182281.db2.gz IZPMAFGQYSKBPM-IAODNVIUSA-N 0 3 294.439 2.613 20 30 CFEDHN CC[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280889505 288038158 /nfs/dbraw/zinc/03/81/58/288038158.db2.gz BLHYWEWBEITFFF-MGPUTAFESA-N 0 3 290.432 2.900 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278873579 288086352 /nfs/dbraw/zinc/08/63/52/288086352.db2.gz XEXINQHPHSBPSV-HOTGVXAUSA-N 0 3 299.418 2.998 20 30 CFEDHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000491321922 279121558 /nfs/dbraw/zinc/12/15/58/279121558.db2.gz RJOLNNWRCAOQJD-XZVRFQMRSA-N 0 3 299.418 2.664 20 30 CFEDHN C[C@H](CN(C)C)Nc1nc2c(cc1C#N)CCCC2(C)C ZINC000343787112 279280599 /nfs/dbraw/zinc/28/05/99/279280599.db2.gz HTODWPKXVIRBHY-GFCCVEGCSA-N 0 3 286.423 2.929 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C#N)CCCCC1 ZINC000329853359 288125789 /nfs/dbraw/zinc/12/57/89/288125789.db2.gz VKLUUBZNNUGRJL-TZMCWYRMSA-N 0 3 275.396 2.900 20 30 CFEDHN CCOCCC1(CNCc2ccc(C#N)cc2F)CC1 ZINC000344848268 279683198 /nfs/dbraw/zinc/68/31/98/279683198.db2.gz PEUOYVWCTZGRCX-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN C[C@H]1OCC[C@H]1NCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000330280824 280067247 /nfs/dbraw/zinc/06/72/47/280067247.db2.gz TTWGUNSCZOCQQI-XHJNMGKDSA-N 0 3 268.401 2.535 20 30 CFEDHN C[C@H]1[C@H](C)N(Cc2ccc(C#N)cc2Cl)CCN1C ZINC000439440740 280111811 /nfs/dbraw/zinc/11/18/11/280111811.db2.gz OUSTTYGDXJZIQQ-RYUDHWBXSA-N 0 3 277.799 2.736 20 30 CFEDHN COCCO[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000248906672 281040318 /nfs/dbraw/zinc/04/03/18/281040318.db2.gz IEESVTAEXDTFRJ-RHSMWYFYSA-N 0 3 288.391 2.747 20 30 CFEDHN CC[C@@H](C)[C@H](C)NCc1cccc(C(=O)OC)c1C#N ZINC000543472052 281648063 /nfs/dbraw/zinc/64/80/63/281648063.db2.gz OVMMHLKDDWWTFX-NEPJUHHUSA-N 0 3 274.364 2.869 20 30 CFEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)cn2)C[C@@H]1OC ZINC000554077794 281885128 /nfs/dbraw/zinc/88/51/28/281885128.db2.gz QOTQLFJIZGWLNL-GJZGRUSLSA-N 0 3 273.380 2.637 20 30 CFEDHN CC(C)[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CCN1C ZINC000562346084 282076437 /nfs/dbraw/zinc/07/64/37/282076437.db2.gz HDZMWHQDMGVYQW-KRWDZBQOSA-N 0 3 294.402 2.883 20 30 CFEDHN CCC[C@H]1CCCC[C@@H]1NCc1ncc(C#N)cn1 ZINC000563616692 290163821 /nfs/dbraw/zinc/16/38/21/290163821.db2.gz BTALOAGZBJXIGW-KBPBESRZSA-N 0 3 258.369 2.797 20 30 CFEDHN N#Cc1cncc(N[C@H](CN2CCCC2)c2ccccc2)n1 ZINC000563832723 290177564 /nfs/dbraw/zinc/17/75/64/290177564.db2.gz HYRZURCACYGDRZ-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000564411715 290208010 /nfs/dbraw/zinc/20/80/10/290208010.db2.gz XBEAWMYDPZWQRW-LLVKDONJSA-N 0 3 277.393 2.596 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C2CCC2)CC1 ZINC000265478961 290220117 /nfs/dbraw/zinc/22/01/17/290220117.db2.gz KYXYWXCHMSKBHX-CQSZACIVSA-N 0 3 269.392 2.789 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564986960 290255304 /nfs/dbraw/zinc/25/53/04/290255304.db2.gz XEXYTWUTCFSXSZ-OAHLLOKOSA-N 0 3 297.406 2.859 20 30 CFEDHN CC[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000564988906 290255351 /nfs/dbraw/zinc/25/53/51/290255351.db2.gz FXPDMIGNEQHXQH-ZDUSSCGKSA-N 0 3 283.379 2.613 20 30 CFEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)cn1 ZINC000565606378 290313271 /nfs/dbraw/zinc/31/32/71/290313271.db2.gz BQPBMKJHXARMLH-ZDUSSCGKSA-N 0 3 281.359 2.722 20 30 CFEDHN CC1(C)CCCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000565657915 290315860 /nfs/dbraw/zinc/31/58/60/290315860.db2.gz FLQXXVLQDTZBPJ-UHFFFAOYSA-N 0 3 283.379 2.613 20 30 CFEDHN C[C@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301665 290368547 /nfs/dbraw/zinc/36/85/47/290368547.db2.gz OIWHCGSYUUSYQL-RYUDHWBXSA-N 0 3 273.336 2.944 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001085453282 782056127 /nfs/dbraw/zinc/05/61/27/782056127.db2.gz JDPHAPLBAIYOHO-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN N#Cc1ccc(CNCCN2CCc3sccc3C2)cc1 ZINC000067219239 303191176 /nfs/dbraw/zinc/19/11/76/303191176.db2.gz WLTLXOLPQZYSAQ-UHFFFAOYSA-N 0 3 297.427 2.768 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(C)(C)C#N ZINC000177326161 327788924 /nfs/dbraw/zinc/78/89/24/327788924.db2.gz QAKRNRGSGBXSJM-UHFFFAOYSA-N 0 3 259.353 2.545 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000185826409 327846728 /nfs/dbraw/zinc/84/67/28/327846728.db2.gz NBPMBAWSSLWXEO-SLEUVZQESA-N 0 3 286.379 2.910 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000116935362 328939638 /nfs/dbraw/zinc/93/96/38/328939638.db2.gz PIBTWJZBEXXMCO-CYBMUJFWSA-N 0 3 267.417 2.515 20 30 CFEDHN C#CC[C@@H](C)NCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000496125432 327921383 /nfs/dbraw/zinc/92/13/83/327921383.db2.gz RGNSBEGWQJFVDP-SNVBAGLBSA-N 0 3 295.408 2.992 20 30 CFEDHN CC#CCN1CCC(N2CCc3ccccc32)CC1 ZINC000337501762 327955803 /nfs/dbraw/zinc/95/58/03/327955803.db2.gz WEYRYHOLOLIYDA-UHFFFAOYSA-N 0 3 254.377 2.537 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H](F)C1 ZINC000563330104 328055583 /nfs/dbraw/zinc/05/55/83/328055583.db2.gz DEFQGSLCPHHBOY-CABCVRRESA-N 0 3 274.339 2.719 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H]2OCC)cc1OC ZINC000571148769 328088349 /nfs/dbraw/zinc/08/83/49/328088349.db2.gz QWIJTDBRYKJJPI-UKRRQHHQSA-N 0 3 277.364 2.527 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000340013178 328112744 /nfs/dbraw/zinc/11/27/44/328112744.db2.gz JDKCROJPOXMOTC-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000336691808 328121212 /nfs/dbraw/zinc/12/12/12/328121212.db2.gz WYVUPSCORDBBFJ-CYBMUJFWSA-N 0 3 284.197 2.822 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000266904376 328170451 /nfs/dbraw/zinc/17/04/51/328170451.db2.gz HIYDNQHFFUEKRV-HNNXBMFYSA-N 0 3 296.374 2.692 20 30 CFEDHN CC1CCN(CCN(CCC#N)Cc2ccccn2)CC1 ZINC000269042166 328189121 /nfs/dbraw/zinc/18/91/21/328189121.db2.gz JKVHPMULQKFHHU-UHFFFAOYSA-N 0 3 286.423 2.529 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)C[C@H](C)CC ZINC000177855008 329193037 /nfs/dbraw/zinc/19/30/37/329193037.db2.gz VELGZNQSJOFJDB-CQSZACIVSA-N 0 3 254.418 2.779 20 30 CFEDHN CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000280204884 328234861 /nfs/dbraw/zinc/23/48/61/328234861.db2.gz QTZVNYCAEGMENR-MRXNPFEDSA-N 0 3 299.418 2.654 20 30 CFEDHN CN(C[C@@H]1OCCc2ccccc21)[C@@H]1CC[C@@H](C#N)C1 ZINC000293269429 328274965 /nfs/dbraw/zinc/27/49/65/328274965.db2.gz XXMYEOWJTOXJKT-UNEWFSDZSA-N 0 3 270.376 2.924 20 30 CFEDHN C=CCCCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340507215 328286297 /nfs/dbraw/zinc/28/62/97/328286297.db2.gz WRDIVYBTUZXDTJ-OAHLLOKOSA-N 0 3 274.343 2.979 20 30 CFEDHN C=C(C)COc1cc(CN[C@H](C)CCO)ccc1OC ZINC000119659649 328307589 /nfs/dbraw/zinc/30/75/89/328307589.db2.gz KBNFUDQOBCHJLH-CYBMUJFWSA-N 0 3 279.380 2.511 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCc1cccc(C#N)c1F ZINC000570215324 322520203 /nfs/dbraw/zinc/52/02/03/322520203.db2.gz HNFQYHIAWJXUKY-RISCZKNCSA-N 0 3 264.344 2.584 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCC1CCCCC1 ZINC000101565984 328356858 /nfs/dbraw/zinc/35/68/58/328356858.db2.gz OKIXVTZOXVMVDT-QGZVFWFLSA-N 0 3 293.455 2.943 20 30 CFEDHN N#CCNC(=O)CN1CCCC[C@@H]1CCCc1ccccc1 ZINC000125077503 328372135 /nfs/dbraw/zinc/37/21/35/328372135.db2.gz SLOVQQKGXKYBMG-QGZVFWFLSA-N 0 3 299.418 2.504 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](CO)CC=C ZINC000341259237 328405518 /nfs/dbraw/zinc/40/55/18/328405518.db2.gz BEPIFAQNOFYPIO-CQSZACIVSA-N 0 3 261.365 2.526 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@]1(C)CCCc2ccccc21 ZINC000341689509 328414994 /nfs/dbraw/zinc/41/49/94/328414994.db2.gz IAUYHEADHGWDHV-GOSISDBHSA-N 0 3 299.418 2.590 20 30 CFEDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1sccc1C#N ZINC000183059910 323898085 /nfs/dbraw/zinc/89/80/85/323898085.db2.gz HUCCPESDAKORGG-UWVGGRQHSA-N 0 3 265.382 2.582 20 30 CFEDHN COC(=O)c1cccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000580044621 325001707 /nfs/dbraw/zinc/00/17/07/325001707.db2.gz BMJMASIFULSGOQ-DIOULYMOSA-N 0 3 284.359 2.623 20 30 CFEDHN C[C@]12CN(Cc3ccc(C#N)cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000582674312 325225270 /nfs/dbraw/zinc/22/52/70/325225270.db2.gz JNBKHLBWQULWAE-YQFWSFKMSA-N 0 3 267.376 2.821 20 30 CFEDHN C#C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000289662758 328526356 /nfs/dbraw/zinc/52/63/56/328526356.db2.gz YSEBNZGCPDBBAA-GFCCVEGCSA-N 0 3 267.756 2.802 20 30 CFEDHN CC[C@H]1CCCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000583145374 325263932 /nfs/dbraw/zinc/26/39/32/325263932.db2.gz OJWAVQUFENTMDM-HNNXBMFYSA-N 0 3 283.379 2.756 20 30 CFEDHN CC(C)(C)C1CC(NCc2cnc3c(C#N)cnn3c2)C1 ZINC000583322480 325277860 /nfs/dbraw/zinc/27/78/60/325277860.db2.gz LCBJDAUOOFFNQH-UHFFFAOYSA-N 0 3 283.379 2.515 20 30 CFEDHN C=CCN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451898908 331046590 /nfs/dbraw/zinc/04/65/90/331046590.db2.gz YBQOPCWYHJTGAR-GFCCVEGCSA-N 0 3 260.164 2.977 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000568643302 327007414 /nfs/dbraw/zinc/00/74/14/327007414.db2.gz LDAFJOXBFSRBEF-LBPRGKRZSA-N 0 3 258.365 2.873 20 30 CFEDHN C=CCCCCCN[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000584182766 327061912 /nfs/dbraw/zinc/06/19/12/327061912.db2.gz KOQQNEDHWVRZRR-HNNXBMFYSA-N 0 3 278.371 2.558 20 30 CFEDHN CC#CCCN1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000564916829 327143902 /nfs/dbraw/zinc/14/39/02/327143902.db2.gz UMXKIUOVBOKREC-UONOGXRCSA-N 0 3 265.397 2.700 20 30 CFEDHN Cc1cc(NC(=O)[C@H](N)CCCC#N)ccc1C(F)(F)F ZINC000566181054 327158101 /nfs/dbraw/zinc/15/81/01/327158101.db2.gz TUHJKBBWUQDGMT-GFCCVEGCSA-N 0 3 299.296 2.974 20 30 CFEDHN C=CCCCCCNCc1cnc(-c2cnn(C)c2)nc1 ZINC000569504533 327186497 /nfs/dbraw/zinc/18/64/97/327186497.db2.gz VPJNMIFVBGKPCF-UHFFFAOYSA-N 0 3 285.395 2.713 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000569617294 327307681 /nfs/dbraw/zinc/30/76/81/327307681.db2.gz YQIKIHWNYAAJKQ-BBRMVZONSA-N 0 3 272.392 2.673 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000248552491 327496276 /nfs/dbraw/zinc/49/62/76/327496276.db2.gz HECXWFLMBDILAT-SQWLQELKSA-N 0 3 293.455 2.761 20 30 CFEDHN N#CCc1ccc(CNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000572604377 327553342 /nfs/dbraw/zinc/55/33/42/327553342.db2.gz LZCIOYZBCXQOEC-QGZVFWFLSA-N 0 3 299.418 2.667 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(-n2ccnn2)c1 ZINC000570036291 327564147 /nfs/dbraw/zinc/56/41/47/327564147.db2.gz IGZASLLRIZMBRB-KCQAQPDRSA-N 0 3 281.363 2.610 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H]1CCN(c2ccccc2)C1 ZINC000567679189 327569197 /nfs/dbraw/zinc/56/91/97/327569197.db2.gz OKQKHVGHTKKPFH-HZPDHXFCSA-N 0 3 282.391 2.546 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1[C@H](C)C[C@H]1C ZINC000519797816 328697664 /nfs/dbraw/zinc/69/76/64/328697664.db2.gz JKWXZIAPYHJBOA-IIAWOOMASA-N 0 3 275.392 2.638 20 30 CFEDHN CC1CC(C#N)(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000532319254 328766345 /nfs/dbraw/zinc/76/63/45/328766345.db2.gz CMMRUPRVICLNRQ-UHFFFAOYSA-N 0 3 271.364 2.627 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000377540465 329018092 /nfs/dbraw/zinc/01/80/92/329018092.db2.gz JMDOJEPXJPLMIF-QGZVFWFLSA-N 0 3 277.371 2.838 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(=Cc2cc(C)on2)CC1 ZINC000378184079 329042457 /nfs/dbraw/zinc/04/24/57/329042457.db2.gz LJOKAYNKCPVREA-MRXNPFEDSA-N 0 3 276.380 2.789 20 30 CFEDHN C=CCN1CC=C(c2ccc(OC)c(OC)c2)CC1 ZINC000378361058 329047486 /nfs/dbraw/zinc/04/74/86/329047486.db2.gz QINNJUZUDJBFMV-UHFFFAOYSA-N 0 3 259.349 2.979 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](C)CC)CC1 ZINC000171556995 329077347 /nfs/dbraw/zinc/07/73/47/329077347.db2.gz ZEJWTPVYMGONIF-ZIAGYGMSSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](SCC)C(C)C)CC1 ZINC000171715340 329078775 /nfs/dbraw/zinc/07/87/75/329078775.db2.gz DLJXSKKMRVBZMA-CQSZACIVSA-N 0 3 284.469 2.531 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2CCC(C)CC2)CC1 ZINC000171723305 329079341 /nfs/dbraw/zinc/07/93/41/329079341.db2.gz CGKGXKABARCFJJ-UHFFFAOYSA-N 0 3 293.455 2.762 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000173702934 329150893 /nfs/dbraw/zinc/15/08/93/329150893.db2.gz YAKYNGOUGFJFEV-INMHGKMJSA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000176499049 329176047 /nfs/dbraw/zinc/17/60/47/329176047.db2.gz DXWTTYLGXWONCQ-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)C1CCCC1 ZINC000177849538 329193120 /nfs/dbraw/zinc/19/31/20/329193120.db2.gz UMENYZXYRHKYLM-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180952750 329224485 /nfs/dbraw/zinc/22/44/85/329224485.db2.gz KGJPUUVRRCLZHK-QWRGUYRKSA-N 0 3 285.384 2.844 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCCN1CCCCCC1 ZINC000185095090 329268047 /nfs/dbraw/zinc/26/80/47/329268047.db2.gz YKXLAZARWFMJCC-CQSZACIVSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OCC)c(OC)c1 ZINC000321093822 329258680 /nfs/dbraw/zinc/25/86/80/329258680.db2.gz KRONUKFIOIIZKU-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000321144168 329266535 /nfs/dbraw/zinc/26/65/35/329266535.db2.gz ULMCDAUWYOUDSF-HIFRSBDPSA-N 0 3 278.352 2.963 20 30 CFEDHN CC#CCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000185444700 329273648 /nfs/dbraw/zinc/27/36/48/329273648.db2.gz BBTAJGWLNUZEGH-INIZCTEOSA-N 0 3 276.424 2.657 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000582966212 329295013 /nfs/dbraw/zinc/29/50/13/329295013.db2.gz GTSJPDXYUUSEJD-XJKSGUPXSA-N 0 3 266.429 2.777 20 30 CFEDHN CC(C)C1CCC(CN2CCN(CC#N)CC2)CC1 ZINC000584378097 329307079 /nfs/dbraw/zinc/30/70/79/329307079.db2.gz VNQNZJDORNQZFL-UHFFFAOYSA-N 0 3 263.429 2.590 20 30 CFEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000185826983 329329943 /nfs/dbraw/zinc/32/99/43/329329943.db2.gz FMPWJGOCKOLMOJ-YQQAZPJKSA-N 0 3 297.402 2.854 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cccc(F)c1F ZINC000321297591 329341413 /nfs/dbraw/zinc/34/14/13/329341413.db2.gz ICARXGAZIOYTOB-MNOVXSKESA-N 0 3 255.308 2.943 20 30 CFEDHN COc1ccc(OC)c(CN2CCC(CC#N)CC2)c1 ZINC000397154012 329343228 /nfs/dbraw/zinc/34/32/28/329343228.db2.gz MDYPBRVFKUMOKM-UHFFFAOYSA-N 0 3 274.364 2.829 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1 ZINC000321451752 329357149 /nfs/dbraw/zinc/35/71/49/329357149.db2.gz OCTMAFXVGVQDTP-HZMBPMFUSA-N 0 3 255.308 2.943 20 30 CFEDHN C#C[C@H](C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000187730011 329362865 /nfs/dbraw/zinc/36/28/65/329362865.db2.gz JHXRVVZIRHYENL-LSDHHAIUSA-N 0 3 299.418 2.533 20 30 CFEDHN C#CCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000192051205 329425742 /nfs/dbraw/zinc/42/57/42/329425742.db2.gz HACVMLGKVJQNNU-UHFFFAOYSA-N 0 3 284.403 2.571 20 30 CFEDHN N#CCc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000398954155 329446902 /nfs/dbraw/zinc/44/69/02/329446902.db2.gz GKSXSBGLDSQYQI-UHFFFAOYSA-N 0 3 253.349 2.878 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000310751949 329539365 /nfs/dbraw/zinc/53/93/65/329539365.db2.gz IMUZKVHSUNYEBL-NSHDSACASA-N 0 3 253.317 2.688 20 30 CFEDHN Cn1nccc1C1CCN(CCC(C)(C)C#N)CC1 ZINC000119935359 329549036 /nfs/dbraw/zinc/54/90/36/329549036.db2.gz GIIYIBMDFDIJNY-UHFFFAOYSA-N 0 3 260.385 2.539 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000124101183 329566874 /nfs/dbraw/zinc/56/68/74/329566874.db2.gz HAZFNTHUZVKARY-MRXNPFEDSA-N 0 3 294.826 2.789 20 30 CFEDHN C=CC(C)(C)CN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000419230379 329712602 /nfs/dbraw/zinc/71/26/02/329712602.db2.gz PTKMFKRGQDVPEV-OAHLLOKOSA-N 0 3 290.382 2.947 20 30 CFEDHN C=CCCCN1CCC(OC)(C(F)(F)F)CC1 ZINC000419327393 329717186 /nfs/dbraw/zinc/71/71/86/329717186.db2.gz MJQTVTIIDIICPT-UHFFFAOYSA-N 0 3 251.292 2.996 20 30 CFEDHN COC1(C(F)(F)F)CCN(CCC(C)(C)C#N)CC1 ZINC000419342909 329718612 /nfs/dbraw/zinc/71/86/12/329718612.db2.gz BQZHFFZVZIDMQO-UHFFFAOYSA-N 0 3 278.318 2.970 20 30 CFEDHN C=CCCCN(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000076943425 329916341 /nfs/dbraw/zinc/91/63/41/329916341.db2.gz XQUJJEIRUNBISO-UHFFFAOYSA-N 0 3 289.423 2.856 20 30 CFEDHN N=C(NCCC(F)(F)F)Nc1cc(F)ccc1F ZINC000262317065 330005738 /nfs/dbraw/zinc/00/57/38/330005738.db2.gz UVBUIFNVZUEONW-UHFFFAOYSA-N 0 3 267.201 2.644 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC12CC2)C(C)C ZINC000421772907 330074979 /nfs/dbraw/zinc/07/49/79/330074979.db2.gz OVOUPDBFMBBPSJ-HUUCEWRRSA-N 0 3 276.424 2.601 20 30 CFEDHN C=CCc1cc(CN2CC[C@H](COC)C2)cc(OC)c1O ZINC000271195687 330077924 /nfs/dbraw/zinc/07/79/24/330077924.db2.gz RDGNVPSFGYBBDX-ZDUSSCGKSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCN(CCC(=O)N1CCc2ccccc21)C1CC1 ZINC000271386255 330079018 /nfs/dbraw/zinc/07/90/18/330079018.db2.gz JFBDGBLLFAJSHY-UHFFFAOYSA-N 0 3 270.376 2.616 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H]2NCCCC2(C)C)c1 ZINC000423069113 330168282 /nfs/dbraw/zinc/16/82/82/330168282.db2.gz DGWUWZLHBAXRND-OAHLLOKOSA-N 0 3 288.391 2.968 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H]2C[C@@H](C)CCN2)c1 ZINC000423077450 330168606 /nfs/dbraw/zinc/16/86/06/330168606.db2.gz MJVBKZUBZSVLEH-SWLSCSKDSA-N 0 3 274.364 2.578 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000423201787 330176747 /nfs/dbraw/zinc/17/67/47/330176747.db2.gz JKTWMSAXXMAIGK-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1ccc2nc(NC(=O)[C@H](N)CCCC#N)sc2c1 ZINC000424074181 330220416 /nfs/dbraw/zinc/22/04/16/330220416.db2.gz GPTQFTLWINSCKF-SNVBAGLBSA-N 0 3 288.376 2.564 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000424080916 330222010 /nfs/dbraw/zinc/22/20/10/330222010.db2.gz UHVBQPBWEHKZMC-NSHDSACASA-N 0 3 285.269 2.665 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000424080913 330222149 /nfs/dbraw/zinc/22/21/49/330222149.db2.gz UHVBQPBWEHKZMC-LLVKDONJSA-N 0 3 285.269 2.665 20 30 CFEDHN CCCN(C(=O)[C@H](N)CCCC#N)[C@H]1CCc2ccccc21 ZINC000424085496 330222884 /nfs/dbraw/zinc/22/28/84/330222884.db2.gz FUYXSAKLOKEGQJ-SJORKVTESA-N 0 3 299.418 2.934 20 30 CFEDHN Cc1cccc2sc(NC(=O)[C@@H](N)CCCC#N)nc21 ZINC000424086048 330223568 /nfs/dbraw/zinc/22/35/68/330223568.db2.gz ZWSPZCDPESDDHF-JTQLQIEISA-N 0 3 288.376 2.564 20 30 CFEDHN CC[C@H](C)Oc1ccc(NC(=O)[C@H](N)CCCC#N)cc1 ZINC000424086953 330223886 /nfs/dbraw/zinc/22/38/86/330223886.db2.gz CQACCIOZORHLAU-SWLSCSKDSA-N 0 3 289.379 2.824 20 30 CFEDHN CC(C)CN(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424095977 330227153 /nfs/dbraw/zinc/22/71/53/330227153.db2.gz ORIFEXGAKMERQG-INIZCTEOSA-N 0 3 287.407 2.692 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424105343 330234217 /nfs/dbraw/zinc/23/42/17/330234217.db2.gz JIVPVBLUBAKFQJ-SWLSCSKDSA-N 0 3 286.379 2.562 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(C(F)F)c1 ZINC000424109351 330237191 /nfs/dbraw/zinc/23/71/91/330237191.db2.gz ADPXZJDYGDJURK-LLVKDONJSA-N 0 3 267.279 2.584 20 30 CFEDHN COc1ccc([C@H](C)[C@@H](C)NC[C@H](C)C#N)cc1OC ZINC000527235416 330239799 /nfs/dbraw/zinc/23/97/99/330239799.db2.gz HAUBSOFJXRNIMH-JHJVBQTASA-N 0 3 276.380 2.945 20 30 CFEDHN Cc1ccc([C@@H]2CCCN2C(=O)[C@H](N)CCCC#N)s1 ZINC000424111549 330239910 /nfs/dbraw/zinc/23/99/10/330239910.db2.gz ASJRVZNHIFXKSZ-OLZOCXBDSA-N 0 3 291.420 2.741 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000424111592 330240066 /nfs/dbraw/zinc/24/00/66/330240066.db2.gz AVKYIJVRCJEOMB-JKSUJKDBSA-N 0 3 285.391 2.665 20 30 CFEDHN C[C@@H]1CCN(CCNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000527248836 330241119 /nfs/dbraw/zinc/24/11/19/330241119.db2.gz WXCTZTZONJNMAQ-NVXWUHKLSA-N 0 3 299.418 2.532 20 30 CFEDHN CC(C)C[C@H]1CCCCCN1C(=O)[C@H](N)CCCC#N ZINC000424120107 330248000 /nfs/dbraw/zinc/24/80/00/330248000.db2.gz GQUIGZRRGAFUMI-HUUCEWRRSA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@@H]1CN(C(=O)[C@H](N)CCCC#N)CC[C@@H]1c1ccccc1 ZINC000424134062 330266698 /nfs/dbraw/zinc/26/66/98/330266698.db2.gz XVRWJAQMDXQNKH-HYVNUMGLSA-N 0 3 299.418 2.660 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncccc2OC)CC1 ZINC000527878017 330291414 /nfs/dbraw/zinc/29/14/14/330291414.db2.gz AXPHRKMUPHCFEY-UHFFFAOYSA-N 0 3 261.369 2.543 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2c(s1)C[C@H](C)CC2 ZINC000424167036 330309430 /nfs/dbraw/zinc/30/94/30/330309430.db2.gz DHSBKBXITHGHCT-DYEKYZERSA-N 0 3 292.448 2.949 20 30 CFEDHN CC1(c2ccccc2)CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424167331 330309748 /nfs/dbraw/zinc/30/97/48/330309748.db2.gz DKVSLMKMAPHCCJ-MRXNPFEDSA-N 0 3 299.418 2.588 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424174231 330314321 /nfs/dbraw/zinc/31/43/21/330314321.db2.gz NZLMQLLRXWYJCQ-KGLIPLIRSA-N 0 3 273.380 2.502 20 30 CFEDHN CC(C)c1cccc2c1CCN(C(=O)[C@H](N)CCCC#N)C2 ZINC000424189057 330322096 /nfs/dbraw/zinc/32/20/96/330322096.db2.gz MQJBIBQYAWGBSY-QGZVFWFLSA-N 0 3 299.418 2.716 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccnn2-c2ccccc2)C1 ZINC000424192587 330323852 /nfs/dbraw/zinc/32/38/52/330323852.db2.gz JGWBDFUZUQOSLL-KGLIPLIRSA-N 0 3 266.348 2.654 20 30 CFEDHN Cc1ncc(CN[C@@H]2CC[C@H](C#N)C2)n1-c1ccccc1 ZINC000424194435 330324373 /nfs/dbraw/zinc/32/43/73/330324373.db2.gz LPGCZFIPLWMRMC-LSDHHAIUSA-N 0 3 280.375 2.963 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2c[nH]nc2-c2ccccc2F)C1 ZINC000424208612 330328089 /nfs/dbraw/zinc/32/80/89/330328089.db2.gz YGDGZVDMDULREU-WCQYABFASA-N 0 3 284.338 2.998 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCc2ccc(F)cc2)nn1 ZINC000424291826 330335009 /nfs/dbraw/zinc/33/50/09/330335009.db2.gz FPSKHVUASFQIIR-ZDUSSCGKSA-N 0 3 288.370 2.714 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000424321667 330340247 /nfs/dbraw/zinc/34/02/47/330340247.db2.gz HNHZAZKNYMCUAZ-NTZNESFSSA-N 0 3 258.321 2.758 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424437180 330351953 /nfs/dbraw/zinc/35/19/53/330351953.db2.gz NXTAQYWKQVMQNV-UHFFFAOYSA-N 0 3 261.369 2.884 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000424584558 330389210 /nfs/dbraw/zinc/38/92/10/330389210.db2.gz NXXIIYVYFJBZOP-KGLIPLIRSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CC1CCN(Cc2c(CC)nn(C)c2CC)CC1 ZINC000093359362 330419557 /nfs/dbraw/zinc/41/95/57/330419557.db2.gz WQBRYMCEAFMHGB-UHFFFAOYSA-N 0 3 261.413 2.943 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000424648197 330440242 /nfs/dbraw/zinc/44/02/42/330440242.db2.gz LLHWIXWECBKYLN-ZBFHGGJFSA-N 0 3 278.440 2.969 20 30 CFEDHN CCO[C@H]1C[C@@H](NCC2(C#N)CC2)C1(CC)CC ZINC000429356721 330544297 /nfs/dbraw/zinc/54/42/97/330544297.db2.gz UQVUVXIMUWZCJY-OLZOCXBDSA-N 0 3 250.386 2.864 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)C(C)(C)CO ZINC000429728144 330553938 /nfs/dbraw/zinc/55/39/38/330553938.db2.gz YHPUCDLTDDIESJ-HOTGVXAUSA-N 0 3 277.408 2.663 20 30 CFEDHN N#CCC1(CNCc2ccnn2-c2ccccc2)CC1 ZINC000430029985 330557703 /nfs/dbraw/zinc/55/77/03/330557703.db2.gz ZFIJAQBDNUDPCR-UHFFFAOYSA-N 0 3 266.348 2.656 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2c(c1)OCCO2 ZINC000430745126 330572516 /nfs/dbraw/zinc/57/25/16/330572516.db2.gz XOVMEPIGRGHMNE-GFCCVEGCSA-N 0 3 272.348 2.802 20 30 CFEDHN C[C@@H](CC(=O)Nc1cccc(F)c1)NCC1(CC#N)CC1 ZINC000430751835 330573068 /nfs/dbraw/zinc/57/30/68/330573068.db2.gz CKIYRFDXPLMXSQ-LBPRGKRZSA-N 0 3 289.354 2.826 20 30 CFEDHN C[C@H](CC(=O)Nc1cccc(F)c1)NCC1(CC#N)CC1 ZINC000430751834 330573075 /nfs/dbraw/zinc/57/30/75/330573075.db2.gz CKIYRFDXPLMXSQ-GFCCVEGCSA-N 0 3 289.354 2.826 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(-c2cc[nH]n2)o1 ZINC000435740473 330661519 /nfs/dbraw/zinc/66/15/19/330661519.db2.gz KJEJKHQPJLKHMW-LRDDRELGSA-N 0 3 287.363 2.741 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000442670996 330778580 /nfs/dbraw/zinc/77/85/80/330778580.db2.gz JZHYXKUGCGQTRH-OFQRWUPVSA-N 0 3 296.480 2.627 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cccc(CN3CCCC3=O)c2)C1 ZINC000442709994 330780124 /nfs/dbraw/zinc/78/01/24/330780124.db2.gz BRKZAXNZSYOYKZ-RHSMWYFYSA-N 0 3 297.402 2.591 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000442719076 330780599 /nfs/dbraw/zinc/78/05/99/330780599.db2.gz QXRTWJTWRTXSSE-HIFRSBDPSA-N 0 3 283.375 2.595 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CC[C@H](C#N)C1)c1c(F)cccc1F ZINC000442761441 330781331 /nfs/dbraw/zinc/78/13/31/330781331.db2.gz CACAPDXVSQNOPB-SLEUVZQESA-N 0 3 293.361 2.849 20 30 CFEDHN Cc1cccc(C)c1OCCN[C@@H]1CC[C@@H](C#N)C1 ZINC000442784206 330782971 /nfs/dbraw/zinc/78/29/71/330782971.db2.gz PCMFKEUBOSFRHA-HUUCEWRRSA-N 0 3 258.365 2.964 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)C1 ZINC000442790027 330783688 /nfs/dbraw/zinc/78/36/88/330783688.db2.gz FTHDNPAQAZWQHZ-JHJVBQTASA-N 0 3 291.345 2.825 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC[C@H](O)c2ccccc2)C1 ZINC000158454188 330831396 /nfs/dbraw/zinc/83/13/96/330831396.db2.gz NGLKCSBNYVNUBE-XBMUEBEBSA-N 0 3 292.382 2.934 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000448923970 330888492 /nfs/dbraw/zinc/88/84/92/330888492.db2.gz WSUAHNPSMSGOPW-RRFJBIMHSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@@H](C)NC1CC1 ZINC000449125414 330900628 /nfs/dbraw/zinc/90/06/28/330900628.db2.gz SIDKBRLDRJVQJR-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN CO[C@](C)(CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000449483370 330929632 /nfs/dbraw/zinc/92/96/32/330929632.db2.gz ITQKXIRVSOUFRI-NUEKZKHPSA-N 0 3 258.365 2.830 20 30 CFEDHN CC1(C)COC[C@H]1NCc1cccc(OCCCC#N)c1 ZINC000449626053 330940811 /nfs/dbraw/zinc/94/08/11/330940811.db2.gz UVJNKISGIATCKW-MRXNPFEDSA-N 0 3 288.391 2.884 20 30 CFEDHN COCCN(CC1(C#N)CCC1)[C@@H]1CCC[C@@H]1C ZINC000450846825 331002477 /nfs/dbraw/zinc/00/24/77/331002477.db2.gz PKGYCIQHOGGSAL-UONOGXRCSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCC[C@H](CO)Nc1ccnc2ccc(C)cc21 ZINC000450909487 331006480 /nfs/dbraw/zinc/00/64/80/331006480.db2.gz IIAIYGQJSNTLBC-CYBMUJFWSA-N 0 3 256.349 2.704 20 30 CFEDHN C=CCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451255449 331021989 /nfs/dbraw/zinc/02/19/89/331021989.db2.gz DCNKZAIOAHCHSM-HOTGVXAUSA-N 0 3 263.356 2.753 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CCC1 ZINC000451355974 331025432 /nfs/dbraw/zinc/02/54/32/331025432.db2.gz WJVBSEWBNICHFK-RBSFLKMASA-N 0 3 262.397 2.696 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](OCC)[C@H](C)C1 ZINC000451522796 331032479 /nfs/dbraw/zinc/03/24/79/331032479.db2.gz ICQMLMGDTANFEB-PMPSAXMXSA-N 0 3 296.455 2.546 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451601876 331035934 /nfs/dbraw/zinc/03/59/34/331035934.db2.gz CBGSNPCUVRDADO-GDLCADMTSA-N 0 3 262.309 2.589 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000451608166 331036582 /nfs/dbraw/zinc/03/65/82/331036582.db2.gz MPHQCHQCGRIAMH-CABCVRRESA-N 0 3 261.752 2.625 20 30 CFEDHN N#CC1(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000451631389 331037436 /nfs/dbraw/zinc/03/74/36/331037436.db2.gz VWQOYNUSAXIDOZ-CABCVRRESA-N 0 3 274.408 2.961 20 30 CFEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccccc3)CC[C@H]2C1 ZINC000451700572 331039582 /nfs/dbraw/zinc/03/95/82/331039582.db2.gz OANVWWQUXQUBCB-OKZBNKHCSA-N 0 3 269.388 2.521 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915384 331047133 /nfs/dbraw/zinc/04/71/33/331047133.db2.gz VKSOYCKWICQFHX-GHMZBOCLSA-N 0 3 278.318 2.561 20 30 CFEDHN C=C(CC)CN(CCO)Cc1cccc(OCC)c1 ZINC000452042065 331051746 /nfs/dbraw/zinc/05/17/46/331051746.db2.gz BNGRUWYTIIDQBV-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](CC(C)(C)C)C1 ZINC000452077323 331053027 /nfs/dbraw/zinc/05/30/27/331053027.db2.gz KEFSXJORTJFPPA-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](CC(C)(C)C)C1 ZINC000452077342 331053173 /nfs/dbraw/zinc/05/31/73/331053173.db2.gz KEYFUFDXHNKXBT-KBPBESRZSA-N 0 3 291.439 2.695 20 30 CFEDHN COC[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000452110182 331054670 /nfs/dbraw/zinc/05/46/70/331054670.db2.gz YHKXVRUPCPGNET-KRWDZBQOSA-N 0 3 257.377 2.787 20 30 CFEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000452802383 331078339 /nfs/dbraw/zinc/07/83/39/331078339.db2.gz FULCQEMSDDQJHA-KRWDZBQOSA-N 0 3 293.370 2.779 20 30 CFEDHN C=CC[C@@H](C)N[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453149390 331094369 /nfs/dbraw/zinc/09/43/69/331094369.db2.gz SNVZDRFTGWJMGB-YGRLFVJLSA-N 0 3 260.316 2.587 20 30 CFEDHN C=CCC[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccco1 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C=CCN(CC=C)[C@H](CNC(=O)C1(CC)CC1)C(C)C ZINC000487639120 331977914 /nfs/dbraw/zinc/97/79/14/331977914.db2.gz KYORSUMKWIBDFN-OAHLLOKOSA-N 0 3 278.440 2.991 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488749949 332023970 /nfs/dbraw/zinc/02/39/70/332023970.db2.gz SNLXSVZLQBKXKD-HZPDHXFCSA-N 0 3 293.455 2.809 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1F ZINC000489493439 332056301 /nfs/dbraw/zinc/05/63/01/332056301.db2.gz FJNSLXGSNYEHEW-KGLIPLIRSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490090229 332081112 /nfs/dbraw/zinc/08/11/12/332081112.db2.gz LCHACDPWDQMPCC-VYDXJSESSA-N 0 3 286.419 2.864 20 30 CFEDHN C#C[C@H](NCc1ccc(N(C)CC)nc1)C(C)(C)C ZINC000491277254 332179594 /nfs/dbraw/zinc/17/95/94/332179594.db2.gz NMWUUFBZXQBDIW-AWEZNQCLSA-N 0 3 259.397 2.675 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OCC=C)c(OC)c1 ZINC000491349908 332194998 /nfs/dbraw/zinc/19/49/98/332194998.db2.gz KZLWQAMZEMBDBK-CQSZACIVSA-N 0 3 259.349 2.761 20 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CFEDHN C#CCN1CCC(C(=O)Nc2ccc3ccoc3c2)CC1 ZINC000491667680 332275808 /nfs/dbraw/zinc/27/58/08/332275808.db2.gz RXZQDYVDKMQXTJ-UHFFFAOYSA-N 0 3 282.343 2.717 20 30 CFEDHN C#C[C@H](N[C@H](C)[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000491668026 332276000 /nfs/dbraw/zinc/27/60/00/332276000.db2.gz LWLLDIDQRCTEMT-XPKDYRNWSA-N 0 3 261.340 2.905 20 30 CFEDHN C#CCN(CCC1(O)CC1)[C@H]1CCc2ccccc21 ZINC000491669120 332276673 /nfs/dbraw/zinc/27/66/73/332276673.db2.gz ZMENQFMPVGUVMQ-INIZCTEOSA-N 0 3 255.361 2.524 20 30 CFEDHN C#C[C@@H](NC1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000491672795 332279417 /nfs/dbraw/zinc/27/94/17/332279417.db2.gz HWSCIXMWBPSRIJ-OAHLLOKOSA-N 0 3 262.784 2.698 20 30 CFEDHN C#C[C@@H](CCC)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000491679619 332283601 /nfs/dbraw/zinc/28/36/01/332283601.db2.gz XQOSOOITEFTBJK-SFHVURJKSA-N 0 3 298.430 2.817 20 30 CFEDHN C#CCN(CCCc1nc(-c2cccs2)no1)C1CC1 ZINC000491709418 332301766 /nfs/dbraw/zinc/30/17/66/332301766.db2.gz OVRUAPDAWWGEMG-UHFFFAOYSA-N 0 3 287.388 2.828 20 30 CFEDHN C#CCN1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491715364 332305481 /nfs/dbraw/zinc/30/54/81/332305481.db2.gz PLAMYWOKZWMNIQ-HUUCEWRRSA-N 0 3 292.423 2.731 20 30 CFEDHN C#CCN1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491715362 332305552 /nfs/dbraw/zinc/30/55/52/332305552.db2.gz PLAMYWOKZWMNIQ-GJZGRUSLSA-N 0 3 292.423 2.731 20 30 CFEDHN C#CCN1CCC(C(=O)NCC2(CC=C)CCCC2)CC1 ZINC000491771272 332337915 /nfs/dbraw/zinc/33/79/15/332337915.db2.gz OAAXEQGAMVDRPT-UHFFFAOYSA-N 0 3 288.435 2.584 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000491773712 332339743 /nfs/dbraw/zinc/33/97/43/332339743.db2.gz SGZNQFBVLDIQES-KBPBESRZSA-N 0 3 269.747 2.760 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)/C=C\CN(C)C)c1 ZINC000491875594 332373148 /nfs/dbraw/zinc/37/31/48/332373148.db2.gz ZCVIBRBIKQYUEU-TWGQIWQCSA-N 0 3 274.364 2.698 20 30 CFEDHN C=C(C)CN(CC)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000492435960 332397356 /nfs/dbraw/zinc/39/73/56/332397356.db2.gz NLGJXOCFBFIFOK-GFCCVEGCSA-N 0 3 256.390 2.798 20 30 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CFEDHN N#CCCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000528572520 333446584 /nfs/dbraw/zinc/44/65/84/333446584.db2.gz REKRBYDQZSWTGV-UHFFFAOYSA-N 0 3 262.328 2.973 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)NC1CCN(C)CC1 ZINC000070058063 333798255 /nfs/dbraw/zinc/79/82/55/333798255.db2.gz OIQVNBQYKBXCKX-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN CC(C)[C@@H](C(=O)N1CCC(CC#N)CC1)N1CCCCC1 ZINC000542912224 333849167 /nfs/dbraw/zinc/84/91/67/333849167.db2.gz HLVUBGQRGLAXFW-INIZCTEOSA-N 0 3 291.439 2.649 20 30 CFEDHN CC[C@@H](Cc1ccc(OC)c(OC)c1)NC[C@H](C)C#N ZINC000133038823 334014074 /nfs/dbraw/zinc/01/40/74/334014074.db2.gz VXIBHROOAWQLGQ-OCCSQVGLSA-N 0 3 276.380 2.774 20 30 CFEDHN C=CCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075916903 334059113 /nfs/dbraw/zinc/05/91/13/334059113.db2.gz QSNDTWNSHFHOHX-UHFFFAOYSA-N 0 3 272.348 2.577 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000134260695 334085906 /nfs/dbraw/zinc/08/59/06/334085906.db2.gz HEJWLKAWVQPBMB-GOEBONIOSA-N 0 3 286.419 2.803 20 30 CFEDHN C=C(C)COCCNCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000134502976 334092550 /nfs/dbraw/zinc/09/25/50/334092550.db2.gz CFVRXSSZUFEGHP-CYBMUJFWSA-N 0 3 291.391 2.701 20 30 CFEDHN C=C(C)COCCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000134508286 334092620 /nfs/dbraw/zinc/09/26/20/334092620.db2.gz CQVZOKRXFOGJNN-FNORWQNLSA-N 0 3 276.336 2.790 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000077573223 334108894 /nfs/dbraw/zinc/10/88/94/334108894.db2.gz KFLZHMQUCFGLCV-HUUCEWRRSA-N 0 3 281.444 2.714 20 30 CFEDHN CCN1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135093265 334115148 /nfs/dbraw/zinc/11/51/48/334115148.db2.gz VSRHOGCVBHFDJY-UHFFFAOYSA-N 0 3 271.408 2.625 20 30 CFEDHN CC(C)N(CC1CC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000547767797 334115946 /nfs/dbraw/zinc/11/59/46/334115946.db2.gz KAPZZQJAFIDERH-QGZVFWFLSA-N 0 3 295.386 2.888 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1CCCc1ccccc1 ZINC000135357873 334127366 /nfs/dbraw/zinc/12/73/66/334127366.db2.gz BLQDGAVDEUGZSV-KRWDZBQOSA-N 0 3 286.419 2.776 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCC(C)(C)N1CCCCC1 ZINC000078317892 334130780 /nfs/dbraw/zinc/13/07/80/334130780.db2.gz VHWNOQVDSUDUKM-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN COc1cc(C)ccc1C(=O)C(C#N)c1ccccn1 ZINC000548381695 334153356 /nfs/dbraw/zinc/15/33/56/334153356.db2.gz LOQSUBHBIOOUDK-ZDUSSCGKSA-N 0 3 266.300 2.889 20 30 CFEDHN CC#CCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079503336 334156028 /nfs/dbraw/zinc/15/60/28/334156028.db2.gz WQGIDKPANNMDRS-QGZVFWFLSA-N 0 3 257.377 2.733 20 30 CFEDHN CC[C@H](C(=O)Nc1ccccc1CC#N)N(CC)CC ZINC000549717265 334202616 /nfs/dbraw/zinc/20/26/16/334202616.db2.gz YOKGVPQVVSVTAF-OAHLLOKOSA-N 0 3 273.380 2.812 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCc1c[nH]c2ccccc12 ZINC000551357330 334247624 /nfs/dbraw/zinc/24/76/24/334247624.db2.gz DEVBOWJSJHJYBM-ZDUSSCGKSA-N 0 3 266.348 2.744 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1C(C)(C)CC ZINC000246328742 334251242 /nfs/dbraw/zinc/25/12/42/334251242.db2.gz SIRSCRSRXQYPBH-HUUCEWRRSA-N 0 3 293.455 2.895 20 30 CFEDHN C#CCN(C[C@H](O)CC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000249497075 334334725 /nfs/dbraw/zinc/33/47/25/334334725.db2.gz WHSLZOURXPYFHX-HIFRSBDPSA-N 0 3 297.320 2.922 20 30 CFEDHN N#CCc1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000554563696 334438908 /nfs/dbraw/zinc/43/89/08/334438908.db2.gz MRQRVASWBLGNEY-UHFFFAOYSA-N 0 3 256.349 2.508 20 30 CFEDHN C=CCn1c(C)nnc1SCCN1C[C@H](C)C[C@@H](C)C1 ZINC000565238255 334547252 /nfs/dbraw/zinc/54/72/52/334547252.db2.gz ONEHVOGJLLCAMD-CHWSQXEVSA-N 0 3 294.468 2.843 20 30 CFEDHN C=C(C)CNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000156495288 334743270 /nfs/dbraw/zinc/74/32/70/334743270.db2.gz NZUPFNMOVKXSDT-MRXNPFEDSA-N 0 3 289.423 2.945 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000271416902 334743641 /nfs/dbraw/zinc/74/36/41/334743641.db2.gz AYDZBJHWBDXPQK-QWHCGFSZSA-N 0 3 284.363 2.734 20 30 CFEDHN Cc1cc(OC(C)C)ccc1NC(=O)[C@H](N)CCCC#N ZINC000572833243 334882109 /nfs/dbraw/zinc/88/21/09/334882109.db2.gz DNHCEZWUSXBZOK-CQSZACIVSA-N 0 3 289.379 2.742 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1cccc2c1CCNC2 ZINC000573090771 334907338 /nfs/dbraw/zinc/90/73/38/334907338.db2.gz ZIOMQJDFCULKLK-UHFFFAOYSA-N 0 3 273.380 2.666 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2c[nH]nc2-c2cccs2)C1 ZINC000573109020 334909067 /nfs/dbraw/zinc/90/90/67/334909067.db2.gz VPTLJWCNABXUEK-PWSUYJOCSA-N 0 3 272.377 2.920 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000192624261 335287633 /nfs/dbraw/zinc/28/76/33/335287633.db2.gz MEMJXYFZIPAOSW-LSDHHAIUSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCC[C@H](C)NCc1ccoc1C(=O)OC ZINC000345132007 335298838 /nfs/dbraw/zinc/29/88/38/335298838.db2.gz JCZMPEACDMDFEK-NSHDSACASA-N 0 3 251.326 2.901 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000577514585 335363326 /nfs/dbraw/zinc/36/33/26/335363326.db2.gz JLYNYOVYQCNNGK-QGZVFWFLSA-N 0 3 284.403 2.840 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCC[C@H]1O ZINC000577756967 335397901 /nfs/dbraw/zinc/39/79/01/335397901.db2.gz FTTNMWBJWDPXNY-RHSMWYFYSA-N 0 3 293.407 2.701 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCC#Cc1ccc(F)cc1 ZINC000578327114 335610778 /nfs/dbraw/zinc/61/07/78/335610778.db2.gz QWBYTKPWNDOYJG-CJNGLKHVSA-N 0 3 263.356 2.564 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000578858587 335681253 /nfs/dbraw/zinc/68/12/53/335681253.db2.gz VECZEZCFVMXLHU-TYNCELHUSA-N 0 3 283.375 2.914 20 30 CFEDHN C[C@@H](CCc1ccc(O)cc1)NC[C@H](C#N)CCC#N ZINC000579343640 335735975 /nfs/dbraw/zinc/73/59/75/335735975.db2.gz GGFOURMQCFVXQJ-ZFWWWQNUSA-N 0 3 271.364 2.746 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@@]2(CCSC2)C1 ZINC000581188927 336021271 /nfs/dbraw/zinc/02/12/71/336021271.db2.gz MRUBEHRRIKHALS-AWEZNQCLSA-N 0 3 268.426 2.524 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCC#Cc1ccccc1 ZINC000581364675 336061731 /nfs/dbraw/zinc/06/17/31/336061731.db2.gz CBHXEAGAIDFPLE-VQIMIIECSA-N 0 3 279.383 2.792 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCC#Cc1ccccc1 ZINC000581364673 336061748 /nfs/dbraw/zinc/06/17/48/336061748.db2.gz CBHXEAGAIDFPLE-LPHOPBHVSA-N 0 3 279.383 2.792 20 30 CFEDHN C=C(C)CN(CCNC(=O)NC(C)C)Cc1ccccc1 ZINC000581941232 336173333 /nfs/dbraw/zinc/17/33/33/336173333.db2.gz XCKRWXJOZMNGKD-UHFFFAOYSA-N 0 3 289.423 2.772 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)sn1 ZINC001085567561 782104903 /nfs/dbraw/zinc/10/49/03/782104903.db2.gz MDCAHPFDQZLCHX-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641440 782123344 /nfs/dbraw/zinc/12/33/44/782123344.db2.gz MPQIEBFILPBGSQ-ZDUSSCGKSA-N 0 3 294.345 2.687 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001085664394 782125933 /nfs/dbraw/zinc/12/59/33/782125933.db2.gz KMYMDMVXOAYGGB-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001085664395 782126911 /nfs/dbraw/zinc/12/69/11/782126911.db2.gz KMYMDMVXOAYGGB-STQMWFEESA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1nccc2occc21 ZINC001085737810 782146917 /nfs/dbraw/zinc/14/69/17/782146917.db2.gz YWDNKDHHARXMGZ-ZDUSSCGKSA-N 0 3 299.374 2.550 20 30 CFEDHN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCC(=C)C)cc1 ZINC001085757340 782154338 /nfs/dbraw/zinc/15/43/38/782154338.db2.gz FVVBDSCXXINJMF-GOSISDBHSA-N 0 3 296.414 2.780 20 30 CFEDHN CCCCCCCCN(C)CCN1CCCC1=O ZINC000740877805 574272184 /nfs/dbraw/zinc/27/21/84/574272184.db2.gz YTWUFMHBXPOYDA-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN C[C@@H](CN1CCCCCC1)Nc1ncc(C#N)cc1F ZINC000413235715 533824852 /nfs/dbraw/zinc/82/48/52/533824852.db2.gz SBJWUITYARKXGO-LBPRGKRZSA-N 0 3 276.359 2.769 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)C1CCOCC1 ZINC000151164814 533914823 /nfs/dbraw/zinc/91/48/23/533914823.db2.gz NSBXBSQJTLRSNE-NSHDSACASA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000334961504 534281579 /nfs/dbraw/zinc/28/15/79/534281579.db2.gz KWUPOOJBFDAJLY-BDAKNGLRSA-N 0 3 252.264 2.644 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000347042992 534283767 /nfs/dbraw/zinc/28/37/67/534283767.db2.gz DLCSAJGMCJZSOU-BDAKNGLRSA-N 0 3 292.289 2.768 20 30 CFEDHN O=C(CN[C@H]1CCO[C@H]1C1CC1)Nc1cc(F)cc(F)c1 ZINC000330258291 534338475 /nfs/dbraw/zinc/33/84/75/534338475.db2.gz MIJUNDBDSHHPDY-ZFWWWQNUSA-N 0 3 296.317 2.710 20 30 CFEDHN CC(C)(C)NC(=O)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360658480 518735508 /nfs/dbraw/zinc/73/55/08/518735508.db2.gz SZWSGKUKBBTVEP-MRXNPFEDSA-N 0 3 299.418 2.830 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085776966 782161700 /nfs/dbraw/zinc/16/17/00/782161700.db2.gz GFVWSQWVQOXOBA-FXUDXRNXSA-N 0 3 276.424 2.531 20 30 CFEDHN CCCCO[C@H]1C[C@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191283287 520846943 /nfs/dbraw/zinc/84/69/43/520846943.db2.gz LDVCMNSTLQRQQS-HOTGVXAUSA-N 0 3 289.423 2.970 20 30 CFEDHN Cc1cccc(-c2n[nH]cc2CNCCCC#N)c1 ZINC000344370812 534554358 /nfs/dbraw/zinc/55/43/58/534554358.db2.gz YROVYCLVUDAQGM-UHFFFAOYSA-N 0 3 254.337 2.779 20 30 CFEDHN N#CCCCOc1cccc(CN2CCC[C@@H](O)CC2)c1 ZINC000354745482 534615841 /nfs/dbraw/zinc/61/58/41/534615841.db2.gz JTKKCZFJMQWFHH-MRXNPFEDSA-N 0 3 288.391 2.716 20 30 CFEDHN COc1cc(CNCCC(F)(F)F)ccc1C#N ZINC000234836618 522448490 /nfs/dbraw/zinc/44/84/90/522448490.db2.gz SASDPWCEWSXMOA-UHFFFAOYSA-N 0 3 258.243 2.609 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192024536 522457646 /nfs/dbraw/zinc/45/76/46/522457646.db2.gz AQCSMPKQMVCKQM-CYBMUJFWSA-N 0 3 262.328 2.556 20 30 CFEDHN CN(CC[C@@H]1CCCO1)Cc1ccc(C#N)c(F)c1 ZINC000361841825 522932280 /nfs/dbraw/zinc/93/22/80/522932280.db2.gz GXHGWNGCUCDZCX-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN CN(CCc1nccs1)Cc1ccc(C#N)c(F)c1 ZINC000192127889 522992986 /nfs/dbraw/zinc/99/29/86/522992986.db2.gz SFVQAVCGPMEJCI-UHFFFAOYSA-N 0 3 275.352 2.828 20 30 CFEDHN CN(Cc1ccc(C#N)o1)C1Cc2ccccc2C1 ZINC000335071798 523213854 /nfs/dbraw/zinc/21/38/54/523213854.db2.gz YMTXECDVSYQSSW-UHFFFAOYSA-N 0 3 252.317 2.750 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC2(CCC2)C1 ZINC000156871074 523522736 /nfs/dbraw/zinc/52/27/36/523522736.db2.gz LILDPMHQGSAHFM-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCSCC[C@@H]1C ZINC000336327509 523526660 /nfs/dbraw/zinc/52/66/60/523526660.db2.gz OJLJBUSTSDJVAI-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN Cn1cc(CNCCCC#N)c(-c2cccs2)n1 ZINC000344358315 534735070 /nfs/dbraw/zinc/73/50/70/534735070.db2.gz OEMCMSRAPDCUAI-UHFFFAOYSA-N 0 3 260.366 2.542 20 30 CFEDHN CO[C@H](C)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000363716221 523880901 /nfs/dbraw/zinc/88/09/01/523880901.db2.gz XEYZKKIFLSQAPC-CYBMUJFWSA-N 0 3 256.349 2.682 20 30 CFEDHN COc1cccc2c1CC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000191321545 524223275 /nfs/dbraw/zinc/22/32/75/524223275.db2.gz ZZJJINJWYYLCTI-INIZCTEOSA-N 0 3 281.359 2.682 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1c[nH]c(C#N)c1 ZINC000182302857 524387561 /nfs/dbraw/zinc/38/75/61/524387561.db2.gz LMVCRQFAAQHKNK-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccncc1 ZINC000156163425 525359924 /nfs/dbraw/zinc/35/99/24/525359924.db2.gz VAQJVINHZKKTQB-ZDUSSCGKSA-N 0 3 267.332 2.683 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1cccc(CO)c1 ZINC000305769933 525361714 /nfs/dbraw/zinc/36/17/14/525361714.db2.gz GVEDQDOOARPRFQ-AWEZNQCLSA-N 0 3 296.370 2.780 20 30 CFEDHN CSCCCCNCc1ccc(C#N)cc1F ZINC000158102941 525438723 /nfs/dbraw/zinc/43/87/23/525438723.db2.gz ZQUMZTBCWATQGD-UHFFFAOYSA-N 0 3 252.358 2.930 20 30 CFEDHN Cc1ccc([C@@H](CNc2cc(C#N)cc(C)n2)N(C)C)cc1 ZINC000340021261 525758549 /nfs/dbraw/zinc/75/85/49/525758549.db2.gz HOWITLRXPZONGC-QGZVFWFLSA-N 0 3 294.402 2.707 20 30 CFEDHN COc1cccc(CNCCOc2ccc(C#N)cc2)c1 ZINC000072952823 526017632 /nfs/dbraw/zinc/01/76/32/526017632.db2.gz KBYJSFDYQUDCPX-UHFFFAOYSA-N 0 3 282.343 2.735 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCCN(C2CC2)CC1 ZINC000172541876 526043893 /nfs/dbraw/zinc/04/38/93/526043893.db2.gz IZCFOWJIMIOXOE-CQSZACIVSA-N 0 3 269.392 2.789 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C12CCCN1CCC2 ZINC000335132780 526070494 /nfs/dbraw/zinc/07/04/94/526070494.db2.gz LPKGNYZHVHNEGM-CQSZACIVSA-N 0 3 297.402 2.706 20 30 CFEDHN C=CCN(CCC(=O)N1CCC[C@@H]1C)CCc1ccco1 ZINC000352700702 526271170 /nfs/dbraw/zinc/27/11/70/526271170.db2.gz XCBZDESYCZKJEO-HNNXBMFYSA-N 0 3 290.407 2.711 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)NCCN(C)C1CC1 ZINC000352731704 526371252 /nfs/dbraw/zinc/37/12/52/526371252.db2.gz POACTYZCEJQXNZ-UHFFFAOYSA-N 0 3 293.436 2.540 20 30 CFEDHN N#Cc1cc(N2CCCN(Cc3ccccc3)CC2)ccn1 ZINC000323992377 526565126 /nfs/dbraw/zinc/56/51/26/526565126.db2.gz HIQLLWXXCYLUNZ-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(Cl)ccn2)CC1 ZINC000106038340 526598671 /nfs/dbraw/zinc/59/86/71/526598671.db2.gz QVIZHXZZDAKLOP-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN N#Cc1ccc(CNC2(CO)CCCC2)c(Cl)c1 ZINC000162699149 526621971 /nfs/dbraw/zinc/62/19/71/526621971.db2.gz OIXPRBBKSFQZCS-UHFFFAOYSA-N 0 3 264.756 2.606 20 30 CFEDHN C=C(C)CNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000352854356 526624357 /nfs/dbraw/zinc/62/43/57/526624357.db2.gz SWGQHXAQMYZEOX-UHFFFAOYSA-N 0 3 265.426 2.575 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2OCCc3ccccc32)c1 ZINC000070988870 526709199 /nfs/dbraw/zinc/70/91/99/526709199.db2.gz JNXCNARXCVETLU-GOSISDBHSA-N 0 3 278.355 2.962 20 30 CFEDHN N#Cc1cccc(OCCN2CCCO[C@H]3CCC[C@H]32)c1 ZINC000363411729 526727265 /nfs/dbraw/zinc/72/72/65/526727265.db2.gz MCQJMGCMIOQVLR-SJORKVTESA-N 0 3 286.375 2.580 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC2(CC2)CC1 ZINC000366630854 526747865 /nfs/dbraw/zinc/74/78/65/526747865.db2.gz MWWFKAHKVHTCME-UHFFFAOYSA-N 0 3 256.349 2.813 20 30 CFEDHN C=CCOCCCN1CCN(c2ccccc2C)CC1 ZINC000347962394 526756874 /nfs/dbraw/zinc/75/68/74/526756874.db2.gz BMUJLODESMXAOW-UHFFFAOYSA-N 0 3 274.408 2.710 20 30 CFEDHN N#Cc1ccnc(NCCN2CCCCCC2)c1Cl ZINC000236057074 526761178 /nfs/dbraw/zinc/76/11/78/526761178.db2.gz JAVVDJDPGUEUGV-UHFFFAOYSA-N 0 3 278.787 2.895 20 30 CFEDHN C=CCOCCCN[C@H](CO)c1ccc(Cl)cc1 ZINC000351934123 526761915 /nfs/dbraw/zinc/76/19/15/526761915.db2.gz GOIPWZKSRNJEGO-CQSZACIVSA-N 0 3 269.772 2.556 20 30 CFEDHN N#Cc1ccnc(NC[C@@H]2NCCc3ccccc32)c1Cl ZINC000261743236 526762008 /nfs/dbraw/zinc/76/20/08/526762008.db2.gz SHXLDOBUZBPSBL-AWEZNQCLSA-N 0 3 298.777 2.906 20 30 CFEDHN C=C(CNCc1ccc2c(c1)NC(=O)CO2)c1ccccc1 ZINC000352261135 526881853 /nfs/dbraw/zinc/88/18/53/526881853.db2.gz LDBZKTULDGUWGD-UHFFFAOYSA-N 0 3 294.354 2.821 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)C(F)F)cc1Cl ZINC000344752636 526885707 /nfs/dbraw/zinc/88/57/07/526885707.db2.gz FYAMXJGXLXKTSJ-NSHDSACASA-N 0 3 291.725 2.620 20 30 CFEDHN C=C1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000334874494 526893173 /nfs/dbraw/zinc/89/31/73/526893173.db2.gz GCYPZHGZZXCLCD-UHFFFAOYSA-N 0 3 284.403 2.613 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H](O)CC1 ZINC000354724045 526930694 /nfs/dbraw/zinc/93/06/94/526930694.db2.gz AVJXXBRTVNHCII-OAHLLOKOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=CCOc1ccccc1CN1CCCO[C@H](C)C1 ZINC000353441338 526931268 /nfs/dbraw/zinc/93/12/68/526931268.db2.gz MNVHUFNLTBHLJZ-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000352507937 527010797 /nfs/dbraw/zinc/01/07/97/527010797.db2.gz FGBSAIQHLGZBKI-HZSPNIEDSA-N 0 3 266.429 2.966 20 30 CFEDHN C=CCCC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000355830397 527085164 /nfs/dbraw/zinc/08/51/64/527085164.db2.gz PHEZRVIKMROHBJ-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000350828141 527154484 /nfs/dbraw/zinc/15/44/84/527154484.db2.gz KAIVRQNAKXHALQ-KBPBESRZSA-N 0 3 281.444 2.761 20 30 CFEDHN Cn1cc(CN2CCC[C@@H](c3nccs3)C2)cc1C#N ZINC000191300400 527202512 /nfs/dbraw/zinc/20/25/12/527202512.db2.gz KIJPQUDKMATYHB-CYBMUJFWSA-N 0 3 286.404 2.733 20 30 CFEDHN Cn1cc(CN[C@H]2CCCC(F)(F)C2)cc1C#N ZINC000336081754 527221917 /nfs/dbraw/zinc/22/19/17/527221917.db2.gz AHVOGLOKQOWJRX-NSHDSACASA-N 0 3 253.296 2.564 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N(C)CC1(N(C)C)CCC1 ZINC000097928549 527227599 /nfs/dbraw/zinc/22/75/99/527227599.db2.gz NGNZYQJRRIQRES-UHFFFAOYSA-N 0 3 285.391 2.681 20 30 CFEDHN C=CCc1cc(CN[C@]2(C)CCO[C@@H]2C)cc(OC)c1O ZINC000344375017 527243198 /nfs/dbraw/zinc/24/31/98/527243198.db2.gz PIVWUWHIWZBIHW-SJKOYZFVSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348415323 527249980 /nfs/dbraw/zinc/24/99/80/527249980.db2.gz YWUNKBXNVYDWSG-HUUCEWRRSA-N 0 3 276.428 2.833 20 30 CFEDHN Cn1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000335183282 527358690 /nfs/dbraw/zinc/35/86/90/527358690.db2.gz OMECYMOGZJVWLT-MRXNPFEDSA-N 0 3 251.333 2.674 20 30 CFEDHN C=CCCOCCNCc1ccnn1-c1ccc(F)cc1 ZINC000354566295 527366578 /nfs/dbraw/zinc/36/65/78/527366578.db2.gz LSIBLYDBXDZNLO-UHFFFAOYSA-N 0 3 289.354 2.694 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1cc2c(s1)CCCC2 ZINC000353575299 527442132 /nfs/dbraw/zinc/44/21/32/527442132.db2.gz KPPLZFASUMEPDV-JQWIXIFHSA-N 0 3 251.395 2.824 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000353574020 527443428 /nfs/dbraw/zinc/44/34/28/527443428.db2.gz IYCCEPRHXHCMEE-OCCSQVGLSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCC[C@H](C)N[C@H]1CCCc2cn(CCOC)nc21 ZINC000355061358 527465955 /nfs/dbraw/zinc/46/59/55/527465955.db2.gz JHLCHVNQPKZBJR-ZFWWWQNUSA-N 0 3 277.412 2.851 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H](OCC2CC2)C1 ZINC000347215866 527466432 /nfs/dbraw/zinc/46/64/32/527466432.db2.gz YOBUGACAMQTJHL-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN Cn1ccnc1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000365624198 527467814 /nfs/dbraw/zinc/46/78/14/527467814.db2.gz GSFYGGMINCVWPZ-INIZCTEOSA-N 0 3 280.375 2.671 20 30 CFEDHN C=CCC[C@H](NCCN1CCOC[C@H]1C)c1ccco1 ZINC000353497521 527484064 /nfs/dbraw/zinc/48/40/64/527484064.db2.gz OYQZJNPZFMZGKL-CABCVRRESA-N 0 3 278.396 2.597 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccccc1OC)C1CC1 ZINC000036102895 527490442 /nfs/dbraw/zinc/49/04/42/527490442.db2.gz YHVATTUSWUXRMM-INIZCTEOSA-N 0 3 275.392 2.987 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000344643666 527522922 /nfs/dbraw/zinc/52/29/22/527522922.db2.gz NAEXVBOIYZSPSM-CJNGLKHVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000107070446 527635027 /nfs/dbraw/zinc/63/50/27/527635027.db2.gz GUWZBZZHKBCCIE-GJZGRUSLSA-N 0 3 272.392 2.926 20 30 CFEDHN CCC1CCC(N(C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000331549472 527840408 /nfs/dbraw/zinc/84/04/08/527840408.db2.gz QSMVZABSEQUUQC-PGEKIEPBSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C)CN(CC(=O)NC1(C#N)CCC1)CC(C)(C)C ZINC000347027635 527921360 /nfs/dbraw/zinc/92/13/60/527921360.db2.gz FGPYTMUNSSFJLU-UHFFFAOYSA-N 0 3 279.428 2.553 20 30 CFEDHN CC(C)COc1ccc(CCNC(=O)C(C)C#N)cc1 ZINC000347102065 528150184 /nfs/dbraw/zinc/15/01/84/528150184.db2.gz HHTQDSKQXKPZLG-CYBMUJFWSA-N 0 3 274.364 2.540 20 30 CFEDHN CCN(CCN1CCCCCC1)c1ncc(C#N)cc1F ZINC000413289196 528478080 /nfs/dbraw/zinc/47/80/80/528478080.db2.gz GJUXWVFXHWHQDB-UHFFFAOYSA-N 0 3 290.386 2.795 20 30 CFEDHN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000347052664 528644165 /nfs/dbraw/zinc/64/41/65/528644165.db2.gz KGZVSKMUGBGTBK-KRWDZBQOSA-N 0 3 299.418 2.878 20 30 CFEDHN CC[C@H](NCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 ZINC000447543818 535919137 /nfs/dbraw/zinc/91/91/37/535919137.db2.gz MNXBEYKGZZLITG-KRWDZBQOSA-N 0 3 293.370 2.898 20 30 CFEDHN COC(=O)[C@@]12CN(Cc3ccccc3C#N)C[C@H]1CCCC2 ZINC000342126465 536588212 /nfs/dbraw/zinc/58/82/12/536588212.db2.gz QEEFYILNUFQUHB-AEFFLSMTSA-N 0 3 298.386 2.723 20 30 CFEDHN COc1cccc2c1C[C@H](NCc1ccc(C#N)cc1F)C2 ZINC000459697870 536956909 /nfs/dbraw/zinc/95/69/09/536956909.db2.gz KRRAEERIIJXDHR-OAHLLOKOSA-N 0 3 296.345 2.963 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001085828117 782176987 /nfs/dbraw/zinc/17/69/87/782176987.db2.gz LPANXJDSDJASBV-RBSFLKMASA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CCCCCC ZINC000744030278 574049951 /nfs/dbraw/zinc/04/99/51/574049951.db2.gz CEHKFAPOZGXAMO-OLZOCXBDSA-N 0 3 264.369 2.604 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)c1ccco1 ZINC000744029311 574049972 /nfs/dbraw/zinc/04/99/72/574049972.db2.gz QKALYQQZLVQBKG-WCQYABFASA-N 0 3 282.299 2.731 20 30 CFEDHN CCC[N@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736473860 574056873 /nfs/dbraw/zinc/05/68/73/574056873.db2.gz UCFGGDZMWVUTBC-UHFFFAOYSA-N 0 3 298.394 2.773 20 30 CFEDHN CCC[N@@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736473860 574056874 /nfs/dbraw/zinc/05/68/74/574056874.db2.gz UCFGGDZMWVUTBC-UHFFFAOYSA-N 0 3 298.394 2.773 20 30 CFEDHN CCC[N@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736473860 574056876 /nfs/dbraw/zinc/05/68/76/574056876.db2.gz UCFGGDZMWVUTBC-UHFFFAOYSA-N 0 3 298.394 2.773 20 30 CFEDHN CCC[N@@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736473860 574056879 /nfs/dbraw/zinc/05/68/79/574056879.db2.gz UCFGGDZMWVUTBC-UHFFFAOYSA-N 0 3 298.394 2.773 20 30 CFEDHN C[C@@H]1CC(N=Nc2nc3ccccc3n2C)CN1C1CC1 ZINC000753955523 574058751 /nfs/dbraw/zinc/05/87/51/574058751.db2.gz NSLSZRXIBXQQAV-LLVKDONJSA-N 0 3 283.379 2.598 20 30 CFEDHN C[C@@H]1CN(c2ccccc2C=NNC2CCCC2)CCO1 ZINC000727651664 574058773 /nfs/dbraw/zinc/05/87/73/574058773.db2.gz KPORNMZFLRRVJS-CQSZACIVSA-N 0 3 287.407 2.778 20 30 CFEDHN C#CCN(C)CCc1ccc(Br)cc1 ZINC000730261441 574068469 /nfs/dbraw/zinc/06/84/69/574068469.db2.gz JLWHQMCMIVFQPY-UHFFFAOYSA-N 0 3 252.155 2.557 20 30 CFEDHN C#C[C@H](N[C@@H]1CS[C@@H](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000754149266 574077933 /nfs/dbraw/zinc/07/79/33/574077933.db2.gz LTCQDAHCUFGBTO-IGQOVBAYSA-N 0 3 267.438 2.677 20 30 CFEDHN COC[C@@H](NCc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000754207036 574082332 /nfs/dbraw/zinc/08/23/32/574082332.db2.gz AGZHWCJOKGPPPI-CQSZACIVSA-N 0 3 294.782 2.757 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(Cl)nc2)[C@H](C)C1 ZINC000754256688 574084584 /nfs/dbraw/zinc/08/45/84/574084584.db2.gz DEJPIBBOLOKAJV-SNVBAGLBSA-N 0 3 266.776 2.863 20 30 CFEDHN CC(C)N1CC(N=Nc2ncccc2Cl)[C@H](C)C1 ZINC000754256492 574084683 /nfs/dbraw/zinc/08/46/83/574084683.db2.gz DGOHATHVPPKASU-SNVBAGLBSA-N 0 3 266.776 2.863 20 30 CFEDHN CC(C)N1CC(N=Nc2ncnc3sccc32)[C@@H](C)C1 ZINC000754260686 574085387 /nfs/dbraw/zinc/08/53/87/574085387.db2.gz WKMUSFCLHRTFTN-JTQLQIEISA-N 0 3 289.408 2.819 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000754729942 574117372 /nfs/dbraw/zinc/11/73/72/574117372.db2.gz HEVFSYSAWIRZRM-GFCCVEGCSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000754729942 574117373 /nfs/dbraw/zinc/11/73/73/574117373.db2.gz HEVFSYSAWIRZRM-GFCCVEGCSA-N 0 3 261.365 2.971 20 30 CFEDHN C=CCc1cc(CN2CCCOC[C@@H]2C)c(O)c(OC)c1 ZINC000754740099 574117849 /nfs/dbraw/zinc/11/78/49/574117849.db2.gz JEWWKUCHWCZFCJ-ZDUSSCGKSA-N 0 3 291.391 2.740 20 30 CFEDHN CCCN(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000746172759 574139193 /nfs/dbraw/zinc/13/91/93/574139193.db2.gz GSALKVMBVHZPNY-CYBMUJFWSA-N 0 3 294.358 2.565 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000746246157 574141704 /nfs/dbraw/zinc/14/17/04/574141704.db2.gz JYXDJYBTLLOYML-RGCMKSIDSA-N 0 3 272.348 2.523 20 30 CFEDHN Cn1cc(C(C)(C)NCCCOc2ccc(C#N)cc2)cn1 ZINC000754871275 574142315 /nfs/dbraw/zinc/14/23/15/574142315.db2.gz LRUIATPQSMNLBL-UHFFFAOYSA-N 0 3 298.390 2.586 20 30 CFEDHN C[C@H]1CN(Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1C ZINC000751923568 574144808 /nfs/dbraw/zinc/14/48/08/574144808.db2.gz ABIBZWXUIGVXTL-OKILXGFUSA-N 0 3 280.375 2.967 20 30 CFEDHN CC[C@H]1CN(CC(=O)NCCC#N)CC[C@H]1c1ccccc1 ZINC000746669352 574161651 /nfs/dbraw/zinc/16/16/51/574161651.db2.gz UJPIUTVJNIUIBC-DOTOQJQBSA-N 0 3 299.418 2.532 20 30 CFEDHN CCO[C@@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000729067442 574167399 /nfs/dbraw/zinc/16/73/99/574167399.db2.gz KYHKGXBTSNEOHS-AAEUAGOBSA-N 0 3 268.316 2.836 20 30 CFEDHN N=C(N)N=NC(CCc1ccccc1)Cc1ccccc1 ZINC000729140339 574178837 /nfs/dbraw/zinc/17/88/37/574178837.db2.gz CHBIAIUSLQPERG-UHFFFAOYSA-N 0 3 280.375 2.701 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCSCC1 ZINC000733052821 574184630 /nfs/dbraw/zinc/18/46/30/574184630.db2.gz HBNDKNNKQHOMBX-GFCCVEGCSA-N 0 3 299.399 2.893 20 30 CFEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CC=C(C)CC1 ZINC000755766103 574185824 /nfs/dbraw/zinc/18/58/24/574185824.db2.gz LEXFKDMJDHIVNY-UHFFFAOYSA-N 0 3 293.374 2.735 20 30 CFEDHN CN(C)CCOc1ccc(C=NO[C@@H]2CCCCO2)cc1 ZINC000755816894 574189163 /nfs/dbraw/zinc/18/91/63/574189163.db2.gz WZZITOLJSHKUAE-MRXNPFEDSA-N 0 3 292.379 2.504 20 30 CFEDHN CCOC1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000729268237 574195360 /nfs/dbraw/zinc/19/53/60/574195360.db2.gz SLJCKOOTLQTICI-UHFFFAOYSA-N 0 3 274.364 2.590 20 30 CFEDHN C#CCCNc1ccnc2cc(OCC)c(OCC)cc21 ZINC000733302936 574216185 /nfs/dbraw/zinc/21/61/85/574216185.db2.gz XYDSOEXJIMQOEU-UHFFFAOYSA-N 0 3 284.359 2.889 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNCc2ccn(C)c2)cc1 ZINC000748098751 574229357 /nfs/dbraw/zinc/22/93/57/574229357.db2.gz MPZXOHXMRGJCHP-CYBMUJFWSA-N 0 3 269.348 2.606 20 30 CFEDHN C#CCOCCC(=O)C(C#N)c1nc2ccccc2s1 ZINC000756507006 574241892 /nfs/dbraw/zinc/24/18/92/574241892.db2.gz ZYJJZVMUJMVRLD-NSHDSACASA-N 0 3 284.340 2.512 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)c1csc2ccccc21 ZINC000730021547 574242373 /nfs/dbraw/zinc/24/23/73/574242373.db2.gz ILSDFWMHSTXSDX-RYUDHWBXSA-N 0 3 286.400 2.690 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCC1=NNCC(F)F ZINC000740616039 574258095 /nfs/dbraw/zinc/25/80/95/574258095.db2.gz CYIFQNZPZMDLTC-GFCCVEGCSA-N 0 3 281.350 2.739 20 30 CFEDHN C[C@H]1CC(=NNCC(F)F)CCN1Cc1ccccc1 ZINC000740616789 574258766 /nfs/dbraw/zinc/25/87/66/574258766.db2.gz TVGIORZUPIFTJY-LBPRGKRZSA-N 0 3 281.350 2.882 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756786900 574262704 /nfs/dbraw/zinc/26/27/04/574262704.db2.gz MHXITCPVBOVVDC-KBPBESRZSA-N 0 3 263.381 2.844 20 30 CFEDHN Cc1ccc(N=NC2CCCC[C@H]2N2CCCCC2)nn1 ZINC000748788217 574265836 /nfs/dbraw/zinc/26/58/36/574265836.db2.gz PFOBNVXFJNVWOG-OAHLLOKOSA-N 0 3 287.411 2.981 20 30 CFEDHN C#CCN(Cc1cccc(C(=O)OC)c1)C1CCCC1 ZINC000756911677 574272909 /nfs/dbraw/zinc/27/29/09/574272909.db2.gz ATRVYTKMADRJRM-UHFFFAOYSA-N 0 3 271.360 2.851 20 30 CFEDHN N#Cc1ccc(CNCCN2CCc3ccccc32)s1 ZINC000749110498 574280318 /nfs/dbraw/zinc/28/03/18/574280318.db2.gz JKSZATPFLZBYHZ-UHFFFAOYSA-N 0 3 283.400 2.772 20 30 CFEDHN C[C@@H]1CC(N=Nc2cnccn2)CCN1Cc1ccccc1 ZINC000734298729 574280969 /nfs/dbraw/zinc/28/09/69/574280969.db2.gz JJSZYXNWGRSTLI-CQSZACIVSA-N 0 3 295.390 2.929 20 30 CFEDHN CCC(CC)NN=Cc1ccc(OCCN(C)C)cc1 ZINC000734366375 574283757 /nfs/dbraw/zinc/28/37/57/574283757.db2.gz PFAVHACZVKMXBM-UHFFFAOYSA-N 0 3 277.412 2.739 20 30 CFEDHN N#CCCCOC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741329285 574287181 /nfs/dbraw/zinc/28/71/81/574287181.db2.gz JRBSMZRWOLXTOO-UHFFFAOYSA-N 0 3 286.375 2.746 20 30 CFEDHN C[C@H]1CC(N=Nc2cnc3ccccc3n2)CCN1C ZINC000741463145 574291185 /nfs/dbraw/zinc/29/11/85/574291185.db2.gz AELAXWQCMQVZNB-NSHDSACASA-N 0 3 269.352 2.512 20 30 CFEDHN C[C@H]1CC(=NNCc2cc(F)ccc2F)CCN1C ZINC000741460716 574291497 /nfs/dbraw/zinc/29/14/97/574291497.db2.gz AHPGMJGKELUTMD-JTQLQIEISA-N 0 3 267.323 2.525 20 30 CFEDHN C[C@H]1CC(N=Nc2nc(-c3ccccc3)no2)CCN1C ZINC000741464662 574291997 /nfs/dbraw/zinc/29/19/97/574291997.db2.gz SGCKKYKBQLKLRQ-NSHDSACASA-N 0 3 285.351 2.619 20 30 CFEDHN CCCCCCCCOCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000741685532 574298740 /nfs/dbraw/zinc/29/87/40/574298740.db2.gz WAJGYARFPKUNCM-MRXNPFEDSA-N 0 3 298.471 2.916 20 30 CFEDHN C=CCN(CCN1CCCC1)Cc1ccccc1F ZINC000741754547 574300880 /nfs/dbraw/zinc/30/08/80/574300880.db2.gz RZHFQENBRVQGNN-UHFFFAOYSA-N 0 3 262.372 2.910 20 30 CFEDHN CC#CCN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749812882 574310785 /nfs/dbraw/zinc/31/07/85/574310785.db2.gz WWZFRBFKGAHMSA-CQSZACIVSA-N 0 3 282.428 2.881 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)n1cccc1 ZINC000735208970 574316513 /nfs/dbraw/zinc/31/65/13/574316513.db2.gz PPQCFYJVXHFDQO-UKRRQHHQSA-N 0 3 295.342 2.787 20 30 CFEDHN C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000742412406 574328567 /nfs/dbraw/zinc/32/85/67/574328567.db2.gz QLMDUWKLUQXGOS-JGVFFNPUSA-N 0 3 270.789 2.563 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)/C=C/C1CC1)C(C)C ZINC000742670646 574338807 /nfs/dbraw/zinc/33/88/07/574338807.db2.gz NGAJJTSSXQFTHI-SCOAYWHSSA-N 0 3 276.424 2.767 20 30 CFEDHN c1ccc(CCN2CCC(N=Nc3cccnn3)CC2)cc1 ZINC000735976626 574346248 /nfs/dbraw/zinc/34/62/48/574346248.db2.gz KPMUSGADYDRMEJ-UHFFFAOYSA-N 0 3 295.390 2.583 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ncccc2C)c1 ZINC000750685031 574351226 /nfs/dbraw/zinc/35/12/26/574351226.db2.gz ZECOQSFKLHAUQV-CQSZACIVSA-N 0 3 293.326 2.660 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1cccc(Cl)c1 ZINC000743264580 574356382 /nfs/dbraw/zinc/35/63/82/574356382.db2.gz ZDAJVBWJZAVSKN-UHFFFAOYSA-N 0 3 264.756 2.624 20 30 CFEDHN CN(C)CCN(CCc1ccccc1)c1ccc(C#N)cn1 ZINC000751233427 574372670 /nfs/dbraw/zinc/37/26/70/574372670.db2.gz RROPFFHOSLUJJI-UHFFFAOYSA-N 0 3 294.402 2.564 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C)S1 ZINC000743856990 574374700 /nfs/dbraw/zinc/37/47/00/574374700.db2.gz QXXQCANOPLGKFV-BETUJISGSA-N 0 3 276.405 2.915 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000744025147 574375810 /nfs/dbraw/zinc/37/58/10/574375810.db2.gz HMOMFLDUPZQMAX-SYAFZNNESA-N 0 3 288.734 2.954 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN([C@H]2CCCCC2=NN2CCOCC2)C1 ZINC000751517438 574378178 /nfs/dbraw/zinc/37/81/78/574378178.db2.gz WOCXDQUFHLMOLD-INMHGKMJSA-N 0 3 293.455 2.595 20 30 CFEDHN N#CC(C(=O)CCOCC1CC1)c1nc2ccccc2[nH]1 ZINC000751824126 574383430 /nfs/dbraw/zinc/38/34/30/574383430.db2.gz YMDODXVNIQIROA-LBPRGKRZSA-N 0 3 283.331 2.556 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1cccc2c1CCCC2 ZINC000752163860 574388674 /nfs/dbraw/zinc/38/86/74/574388674.db2.gz FBOIFXSFQIDWAI-GFCCVEGCSA-N 0 3 257.381 2.915 20 30 CFEDHN Cc1nnc(C)n1N=C[C@@H]1CCCc2ccccc21 ZINC000752163359 574388781 /nfs/dbraw/zinc/38/87/81/574388781.db2.gz VNZJBIJCPIGMSL-AWEZNQCLSA-N 0 3 254.337 2.849 20 30 CFEDHN C[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000752300270 574390130 /nfs/dbraw/zinc/39/01/30/574390130.db2.gz BJDKJGLHYSWIQP-NEPJUHHUSA-N 0 3 299.399 2.957 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc(Cl)n2)CC1 ZINC000752734496 574394231 /nfs/dbraw/zinc/39/42/31/574394231.db2.gz QONKBOVPHPPJDY-UHFFFAOYSA-N 0 3 294.786 2.507 20 30 CFEDHN C#C[C@H](CC)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000753243227 574400506 /nfs/dbraw/zinc/40/05/06/574400506.db2.gz MZFDLSYGXWDPOX-IAGOWNOFSA-N 0 3 299.418 2.535 20 30 CFEDHN CC(C)[C@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900638024 620697437 /nfs/dbraw/zinc/69/74/37/620697437.db2.gz JGHZNKWKGKHAAY-AWEZNQCLSA-N 0 3 284.363 2.569 20 30 CFEDHN C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585086 608461029 /nfs/dbraw/zinc/46/10/29/608461029.db2.gz NFTCATBRMMUYAW-GFCCVEGCSA-N 0 3 298.394 2.847 20 30 CFEDHN C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585086 608461031 /nfs/dbraw/zinc/46/10/31/608461031.db2.gz NFTCATBRMMUYAW-GFCCVEGCSA-N 0 3 298.394 2.847 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC000970161616 612962527 /nfs/dbraw/zinc/96/25/27/612962527.db2.gz QOXIWWVQLBBFAB-DLBZAZTESA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2cc3ccccc3o2)C1 ZINC000970842585 612995041 /nfs/dbraw/zinc/99/50/41/612995041.db2.gz HHELGQVZDLIAFA-CYBMUJFWSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967990872 613015135 /nfs/dbraw/zinc/01/51/35/613015135.db2.gz CSIKDEVGKOVBGY-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607209 613024834 /nfs/dbraw/zinc/02/48/34/613024834.db2.gz POQKIYAYSVIQOM-MAUKXSAKSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975012300 613031075 /nfs/dbraw/zinc/03/10/75/613031075.db2.gz ZFLVJHPYWSECIH-OAHLLOKOSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972787532 613031559 /nfs/dbraw/zinc/03/15/59/613031559.db2.gz CAICGSMQNPQPIQ-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977522346 613031719 /nfs/dbraw/zinc/03/17/19/613031719.db2.gz HXASRKSOQHYUPP-NVXWUHKLSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852364 613036931 /nfs/dbraw/zinc/03/69/31/613036931.db2.gz SVAFPCINYLHWDP-INIZCTEOSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873591 613037070 /nfs/dbraw/zinc/03/70/70/613037070.db2.gz VMJGEAPOXOBXRH-HNNXBMFYSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974936704 613037420 /nfs/dbraw/zinc/03/74/20/613037420.db2.gz PZLXYEUZRRSCQH-GJZGRUSLSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974936699 613038148 /nfs/dbraw/zinc/03/81/48/613038148.db2.gz PZLXYEUZRRSCQH-CABCVRRESA-N 0 3 290.451 2.663 20 30 CFEDHN C/C=C(/C)C(=O)N1CC[C@H](N(C)Cc2cccc(C#N)c2)C1 ZINC000971303485 613117074 /nfs/dbraw/zinc/11/70/74/613117074.db2.gz AGIREPOYHXKRDH-SHDIAVBESA-N 0 3 297.402 2.557 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)CC2CCCCC2)CC1 ZINC000948166591 613161061 /nfs/dbraw/zinc/16/10/61/613161061.db2.gz WWFPBUADYISMNK-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000948542769 613178538 /nfs/dbraw/zinc/17/85/38/613178538.db2.gz UWPIHYUQPJHUCQ-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000945336148 613224094 /nfs/dbraw/zinc/22/40/94/613224094.db2.gz RULUXDJSIYWARR-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CCCCCCC2)C[C@H]1C ZINC000947529243 613225042 /nfs/dbraw/zinc/22/50/42/613225042.db2.gz RLFWBIDEYRFSEQ-NVXWUHKLSA-N 0 3 290.451 2.949 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN(CC2CCCC2)CC1 ZINC000949627843 613241160 /nfs/dbraw/zinc/24/11/60/613241160.db2.gz NVKGDEFBEUQLKH-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H](C)C1 ZINC000942136126 613256439 /nfs/dbraw/zinc/25/64/39/613256439.db2.gz IHVYEDUNRJXAHM-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@H](C)C1 ZINC000942433977 613257857 /nfs/dbraw/zinc/25/78/57/613257857.db2.gz WZMYCZPANCOHRQ-WBVHZDCISA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](C)C1 ZINC000944227984 613262689 /nfs/dbraw/zinc/26/26/89/613262689.db2.gz QWULMPJEULVXEK-VQHPVUNQSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)C[C@H]1C ZINC000947962239 613270500 /nfs/dbraw/zinc/27/05/00/613270500.db2.gz LLTVPXJFUCRTRR-DOMZBBRYSA-N 0 3 290.794 2.556 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000969954061 613298928 /nfs/dbraw/zinc/29/89/28/613298928.db2.gz QIROQUPJDGMPBI-HIFRSBDPSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)cc2F)C1 ZINC000970477763 613299880 /nfs/dbraw/zinc/29/98/80/613299880.db2.gz WFGSYKJRJNOYHG-CYBMUJFWSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC000970825113 613300545 /nfs/dbraw/zinc/30/05/45/613300545.db2.gz HYHCBDOCDGCMGQ-OAHLLOKOSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000970382708 613302362 /nfs/dbraw/zinc/30/23/62/613302362.db2.gz JCFKNPOJHIGGLF-YSVLISHTSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966892608 613325199 /nfs/dbraw/zinc/32/51/99/613325199.db2.gz OAGYAAOZGUHBIV-UKRRQHHQSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2)C1 ZINC000966973354 613325315 /nfs/dbraw/zinc/32/53/15/613325315.db2.gz DZNRZMMBJOUVKS-NVXWUHKLSA-N 0 3 286.419 2.632 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964718699 613332607 /nfs/dbraw/zinc/33/26/07/613332607.db2.gz VTGFUJRUQIPFOD-HOCLYGCPSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000965910537 613333763 /nfs/dbraw/zinc/33/37/63/613333763.db2.gz NXJLSXGUKFNIRO-XJKSGUPXSA-N 0 3 290.407 2.533 20 30 CFEDHN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974963795 613337614 /nfs/dbraw/zinc/33/76/14/613337614.db2.gz VLXCWJRWPSZIAC-CQSZACIVSA-N 0 3 278.440 2.825 20 30 CFEDHN 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Cc1cc(N)nc(NCCSCc2ccccc2C#N)n1 ZINC000891571036 617671923 /nfs/dbraw/zinc/67/19/23/617671923.db2.gz JDRGKTDBWAOHOW-UHFFFAOYSA-N 0 3 299.403 2.584 20 30 CFEDHN CCCCCN(CCO)Cc1csc(C#N)c1 ZINC000891572950 617672224 /nfs/dbraw/zinc/67/22/24/617672224.db2.gz IWUAMABLCUMCEG-UHFFFAOYSA-N 0 3 252.383 2.604 20 30 CFEDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(C#N)o1 ZINC000233990146 617674732 /nfs/dbraw/zinc/67/47/32/617674732.db2.gz VTBXUJJDFVRERP-QWHCGFSZSA-N 0 3 250.367 2.915 20 30 CFEDHN c1ccc2c(c1)NCCCC2=NNC[C@@H]1CCSC1 ZINC000811660827 617691892 /nfs/dbraw/zinc/69/18/92/617691892.db2.gz APLGGHCAEZSDOK-LBPRGKRZSA-N 0 3 275.421 2.939 20 30 CFEDHN N#CCc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)cc1 ZINC000933645480 617738637 /nfs/dbraw/zinc/73/86/37/617738637.db2.gz RBKPWGKMKSVGOR-UHFFFAOYSA-N 0 3 296.370 2.590 20 30 CFEDHN CC[C@@H](CNc1cc(C#N)sc1[N+](=O)[O-])N1CCCC1 ZINC000891810351 617765980 /nfs/dbraw/zinc/76/59/80/617765980.db2.gz UQCALKPWCYGIDI-JTQLQIEISA-N 0 3 294.380 2.814 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001020859701 617816457 /nfs/dbraw/zinc/81/64/57/617816457.db2.gz FANZBFSUMLZLHJ-RGCMKSIDSA-N 0 3 284.831 2.658 20 30 CFEDHN Cn1cc([C@H]2CSCCCN2CCCCC#N)cn1 ZINC000933983256 617854891 /nfs/dbraw/zinc/85/48/91/617854891.db2.gz UMRCKRZWWJEJBH-CQSZACIVSA-N 0 3 278.425 2.594 20 30 CFEDHN CNC(=O)C[C@H](N[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000926345176 617940756 /nfs/dbraw/zinc/94/07/56/617940756.db2.gz NTVAWXPWFBZUSE-ZFWWWQNUSA-N 0 3 287.407 2.782 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCSC[C@H]1C ZINC000934302748 617991930 /nfs/dbraw/zinc/99/19/30/617991930.db2.gz GAPAWDPQDGDIRJ-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493752 618028137 /nfs/dbraw/zinc/02/81/37/618028137.db2.gz VWMUCHDCOJTSQJ-IRXDYDNUSA-N 0 3 288.435 2.513 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021556736 618060673 /nfs/dbraw/zinc/06/06/73/618060673.db2.gz TXISYMDKOKABIZ-DLBZAZTESA-N 0 3 288.435 2.513 20 30 CFEDHN CCC(=NN[C@H]1CCSC1)c1ccc(N(C)C)cc1 ZINC000807999277 618066767 /nfs/dbraw/zinc/06/67/67/618066767.db2.gz IWHBEXVGVBGMPQ-ZDUSSCGKSA-N 0 3 277.437 2.962 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccsc1 ZINC000121837859 618080481 /nfs/dbraw/zinc/08/04/81/618080481.db2.gz VJYFHGSXMUZYDQ-ZWNOBZJWSA-N 0 3 290.388 2.619 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccsc1 ZINC000121838037 618080575 /nfs/dbraw/zinc/08/05/75/618080575.db2.gz VJYFHGSXMUZYDQ-GWCFXTLKSA-N 0 3 290.388 2.619 20 30 CFEDHN COCC[NH+]1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000255541713 618097619 /nfs/dbraw/zinc/09/76/19/618097619.db2.gz JCEHCVLQRPWXFX-BOPFTXTBSA-N 0 3 296.798 2.575 20 30 CFEDHN Cc1ccccc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679314 618148662 /nfs/dbraw/zinc/14/86/62/618148662.db2.gz AXJHQAVRSAWLSJ-MRXNPFEDSA-N 0 3 298.386 2.695 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001023136562 618161847 /nfs/dbraw/zinc/16/18/47/618161847.db2.gz XRVLFCRKSSWTCR-IPOFZDNWSA-N 0 3 296.842 2.802 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001023203996 618168589 /nfs/dbraw/zinc/16/85/89/618168589.db2.gz HYEAATZQGVZTOU-AWEZNQCLSA-N 0 3 290.432 2.522 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(Br)cc1C ZINC000307551597 618173477 /nfs/dbraw/zinc/17/34/77/618173477.db2.gz PPGKJFLCYFSRFL-SNVBAGLBSA-N 0 3 252.155 2.869 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001023352275 618184275 /nfs/dbraw/zinc/18/42/75/618184275.db2.gz IOPNWMXXDCUWHU-AWEZNQCLSA-N 0 3 290.432 2.522 20 30 CFEDHN C#CCC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000933296512 618191692 /nfs/dbraw/zinc/19/16/92/618191692.db2.gz IFFGCBUQTGYGFZ-UHFFFAOYSA-N 0 3 284.319 2.507 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc(F)cc2Cl)CCC1 ZINC000933298818 618192965 /nfs/dbraw/zinc/19/29/65/618192965.db2.gz KUFLOWDAVMZIFF-UHFFFAOYSA-N 0 3 294.757 2.953 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001023482187 618193240 /nfs/dbraw/zinc/19/32/40/618193240.db2.gz AXFIRIRPMGMFKM-MRXNPFEDSA-N 0 3 290.451 2.808 20 30 CFEDHN C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)NCCC#N ZINC000093462852 618197015 /nfs/dbraw/zinc/19/70/15/618197015.db2.gz LZRVBMMPDGBWFO-OLZOCXBDSA-N 0 3 281.400 2.668 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC000935249686 618215595 /nfs/dbraw/zinc/21/55/95/618215595.db2.gz DJUSNXTZCHIZLQ-ZIAGYGMSSA-N 0 3 252.402 2.720 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(Br)cc1 ZINC000229510567 618216608 /nfs/dbraw/zinc/21/66/08/618216608.db2.gz MOBJKGYNTAQKSG-LBPRGKRZSA-N 0 3 252.155 2.951 20 30 CFEDHN C=CCN1CCC(Nc2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892397590 618224801 /nfs/dbraw/zinc/22/48/01/618224801.db2.gz YLKFRQYDFNNYTP-UHFFFAOYSA-N 0 3 292.364 2.590 20 30 CFEDHN COc1ccc(C[NH2+]Cc2cc(C#N)cs2)c([O-])c1 ZINC000793387582 618271008 /nfs/dbraw/zinc/27/10/08/618271008.db2.gz ICMAVRCULBJGGM-UHFFFAOYSA-N 0 3 274.345 2.624 20 30 CFEDHN Cc1cc(CNCc2ccc(CC#N)cc2)cnc1F ZINC000895091411 618284634 /nfs/dbraw/zinc/28/46/34/618284634.db2.gz WSXBZWVYVLHRQD-UHFFFAOYSA-N 0 3 269.323 2.885 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001024333179 618294268 /nfs/dbraw/zinc/29/42/68/618294268.db2.gz NCVITMJHBCFMCC-MRXNPFEDSA-N 0 3 287.407 2.550 20 30 CFEDHN C=CCCN1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001024345373 618296462 /nfs/dbraw/zinc/29/64/62/618296462.db2.gz SGCKGUYCTMPYKU-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1ccns1 ZINC001024464103 618322427 /nfs/dbraw/zinc/32/24/27/618322427.db2.gz PUYGRWJXAIUISV-CYBMUJFWSA-N 0 3 293.436 2.694 20 30 CFEDHN CN(C)[C@@H](CNCC#Cc1ccccc1)c1ccccc1 ZINC000893320607 618337023 /nfs/dbraw/zinc/33/70/23/618337023.db2.gz QJFMLZLLVVGZMT-IBGZPJMESA-N 0 3 278.399 2.931 20 30 CFEDHN C=CC(C)(C)CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000892483840 618362592 /nfs/dbraw/zinc/36/25/92/618362592.db2.gz BDIAFZJUAVOMHQ-CQSZACIVSA-N 0 3 284.359 2.614 20 30 CFEDHN C#C[C@H](NCCSc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775788620 618375819 /nfs/dbraw/zinc/37/58/19/618375819.db2.gz ICXKVZZAIBRQSF-LSDHHAIUSA-N 0 3 279.380 2.688 20 30 CFEDHN C#C[C@H](NCCc1c(F)cccc1Cl)[C@H]1CCCO1 ZINC000775793139 618378463 /nfs/dbraw/zinc/37/84/63/618378463.db2.gz VLEGGJGWLOGRBI-LSDHHAIUSA-N 0 3 281.758 2.792 20 30 CFEDHN C[C@H](NCC#Cc1ccccc1)[C@](C)(O)c1ccccc1 ZINC000895145859 618382535 /nfs/dbraw/zinc/38/25/35/618382535.db2.gz ASQHRFPPZNXIAX-LPHOPBHVSA-N 0 3 279.383 2.924 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001024777984 618468513 /nfs/dbraw/zinc/46/85/13/618468513.db2.gz SDHJJFFIDXYXCT-QGZVFWFLSA-N 0 3 298.430 2.911 20 30 CFEDHN C#CC1(O)CCN(Cc2cc3ccccc3c(OC)c2)CC1 ZINC000895385909 618562646 /nfs/dbraw/zinc/56/26/46/618562646.db2.gz PHTQJOLMOHJPJY-UHFFFAOYSA-N 0 3 295.382 2.809 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccc(OC)c(OC)c2F)C1 ZINC000895388952 618563362 /nfs/dbraw/zinc/56/33/62/618563362.db2.gz CPVNYKLLYJBTCU-GFCCVEGCSA-N 0 3 277.339 2.688 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)NCCN1CCCC[C@H]1C ZINC000892668545 618687190 /nfs/dbraw/zinc/68/71/90/618687190.db2.gz JTMLFPYHYMWNIG-OAHLLOKOSA-N 0 3 299.418 2.779 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000892852179 618757891 /nfs/dbraw/zinc/75/78/91/618757891.db2.gz WYCRNBJXXMHDAJ-FVQBIDKESA-N 0 3 291.439 2.515 20 30 CFEDHN COc1cccc2c1OC[C@H](NCC#Cc1ccccc1)C2 ZINC000892874046 618761134 /nfs/dbraw/zinc/76/11/34/618761134.db2.gz FZLQNHGEVIAETA-QGZVFWFLSA-N 0 3 293.366 2.640 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCC2(C#N)CC2)C1 ZINC000926873821 618778135 /nfs/dbraw/zinc/77/81/35/618778135.db2.gz JHAXDKVGPOBZRN-STQMWFEESA-N 0 3 293.411 2.573 20 30 CFEDHN CC(C)(C#N)CN[C@H]1CCC[C@H]1Cc1ccccn1 ZINC000926874607 618778402 /nfs/dbraw/zinc/77/84/02/618778402.db2.gz RGJGPQJAMJYHFF-ZFWWWQNUSA-N 0 3 257.381 2.932 20 30 CFEDHN N#CCC[C@H](NC1CCS(=O)CC1)c1ccccc1 ZINC000893194502 618877270 /nfs/dbraw/zinc/87/72/70/618877270.db2.gz HEXPVGOXCJHGAU-HVEKOLDVSA-N 0 3 276.405 2.532 20 30 CFEDHN CC[C@H](CC#N)NC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930692170 618922356 /nfs/dbraw/zinc/92/23/56/618922356.db2.gz DUWGUAMHHLPHNE-MCIONIFRSA-N 0 3 295.427 2.962 20 30 CFEDHN C=CCCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000893656670 619146736 /nfs/dbraw/zinc/14/67/36/619146736.db2.gz VAACQVLHPRAQAT-UHFFFAOYSA-N 0 3 280.324 2.755 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000894218602 619268070 /nfs/dbraw/zinc/26/80/70/619268070.db2.gz HGYALSWSXIOETE-SWLSCSKDSA-N 0 3 265.328 2.602 20 30 CFEDHN COC(=O)c1sccc1CNCC1CCC(C#N)CC1 ZINC000894245413 619280027 /nfs/dbraw/zinc/28/00/27/619280027.db2.gz AXNABFNEMJABIW-UHFFFAOYSA-N 0 3 292.404 2.954 20 30 CFEDHN CCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000048540704 619353745 /nfs/dbraw/zinc/35/37/45/619353745.db2.gz PMEDWYBMVDXANE-AWEZNQCLSA-N 0 3 272.348 2.592 20 30 CFEDHN CC[C@H](C)N1CCN(Cc2csc(C#N)c2)CC1 ZINC000894755809 619458209 /nfs/dbraw/zinc/45/82/09/619458209.db2.gz SYCXINXHDWLDKR-LBPRGKRZSA-N 0 3 263.410 2.536 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(C)[C@@H]2C)CCCCC1 ZINC000928433109 619463063 /nfs/dbraw/zinc/46/30/63/619463063.db2.gz LABQEPZSSLWGCB-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN CCN(C)c1ccc(C=NN[C@H](C)C(C)(C)C)cn1 ZINC000793115488 619510582 /nfs/dbraw/zinc/51/05/82/619510582.db2.gz RHMLXABSZPNGGO-GFCCVEGCSA-N 0 3 262.401 2.896 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCN(C)C(C)(C)C2)cc1 ZINC000895564451 619556412 /nfs/dbraw/zinc/55/64/12/619556412.db2.gz GAYCBPODAUIUFR-AWEZNQCLSA-N 0 3 287.407 2.503 20 30 CFEDHN CC1(C)CO[C@@H](CCNCc2cccc(F)c2C#N)C1 ZINC000895802552 619611746 /nfs/dbraw/zinc/61/17/46/619611746.db2.gz LVQUGKCPYRVHKT-ZDUSSCGKSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCC1(O)CCN(Cc2cc(COC)cs2)CC1 ZINC000895834834 619619714 /nfs/dbraw/zinc/61/97/14/619619714.db2.gz SDHLJEUJJBSCOB-UHFFFAOYSA-N 0 3 281.421 2.798 20 30 CFEDHN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNCC#Cc1ccccc1)O2 ZINC000896055663 619662307 /nfs/dbraw/zinc/66/23/07/619662307.db2.gz WTLBUUMLGLJVIQ-UKBAYJJMSA-N 0 3 299.414 2.600 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000896277383 619708619 /nfs/dbraw/zinc/70/86/19/619708619.db2.gz RISAWSYBFCDLKL-ZFWWWQNUSA-N 0 3 297.402 2.530 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000896277382 619708792 /nfs/dbraw/zinc/70/87/92/619708792.db2.gz RISAWSYBFCDLKL-UKRRQHHQSA-N 0 3 297.402 2.530 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000896577128 619765545 /nfs/dbraw/zinc/76/55/45/619765545.db2.gz IRYZJZLTCNSQKB-AWEZNQCLSA-N 0 3 270.376 2.853 20 30 CFEDHN C#CCCOc1ccc(CN2CCO[C@H](C)CC2)cc1 ZINC000896583610 619766581 /nfs/dbraw/zinc/76/65/81/619766581.db2.gz DGJIQJMTPJAFHT-OAHLLOKOSA-N 0 3 273.376 2.700 20 30 CFEDHN OC[C@@]1(c2ccccc2)C[C@H](NCC#Cc2ccccc2)C1 ZINC000897356743 620034622 /nfs/dbraw/zinc/03/46/22/620034622.db2.gz DAXGBLNIOJRWCM-BGYRXZFFSA-N 0 3 291.394 2.720 20 30 CFEDHN CC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1[O-] ZINC000925262379 620091974 /nfs/dbraw/zinc/09/19/74/620091974.db2.gz CCTRYNSYKAETDR-HIFRSBDPSA-N 0 3 296.374 2.585 20 30 CFEDHN Cc1cccc(CNCCNc2ccc(C#N)cn2)c1F ZINC000897397402 620095117 /nfs/dbraw/zinc/09/51/17/620095117.db2.gz ZYFZXTXTIARLRJ-UHFFFAOYSA-N 0 3 284.338 2.603 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CC2(C)CCCCC2)C1 ZINC000989151241 620234407 /nfs/dbraw/zinc/23/44/07/620234407.db2.gz XCMMLIJBKJVDTC-HUUCEWRRSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC2(C)CCCCC2)C1 ZINC000989151240 620234562 /nfs/dbraw/zinc/23/45/62/620234562.db2.gz XCMMLIJBKJVDTC-GJZGRUSLSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCC2CCCCCC2)C1 ZINC000989207520 620237424 /nfs/dbraw/zinc/23/74/24/620237424.db2.gz NFTJHPWRYINLOF-WBVHZDCISA-N 0 3 290.451 2.949 20 30 CFEDHN C=C1CCC(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000897577054 620250868 /nfs/dbraw/zinc/25/08/68/620250868.db2.gz RAKJTSSYCYRUGJ-INIZCTEOSA-N 0 3 276.424 2.866 20 30 CFEDHN Cc1ccsc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602389 620256194 /nfs/dbraw/zinc/25/61/94/620256194.db2.gz MQXIEBZEJGDARQ-UHFFFAOYSA-N 0 3 277.389 2.894 20 30 CFEDHN COc1cccc2c1CC[C@@H](NCc1nc(C#N)cs1)C2 ZINC000897628119 620263571 /nfs/dbraw/zinc/26/35/71/620263571.db2.gz CVYUYGFAPZKUAK-GFCCVEGCSA-N 0 3 299.399 2.670 20 30 CFEDHN CC1(C#N)CCC(NCc2nc(C#N)cs2)CC1 ZINC000897630461 620263961 /nfs/dbraw/zinc/26/39/61/620263961.db2.gz ZDVHZHIRCGLNAY-UHFFFAOYSA-N 0 3 260.366 2.577 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000989490857 620376992 /nfs/dbraw/zinc/37/69/92/620376992.db2.gz KWHLBAYEJGKTLY-UHFFFAOYSA-N 0 3 290.407 2.874 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000989572060 620382161 /nfs/dbraw/zinc/38/21/61/620382161.db2.gz DYBAXQPXNGGUSG-UHFFFAOYSA-N 0 3 298.333 2.941 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000989625372 620383976 /nfs/dbraw/zinc/38/39/76/620383976.db2.gz GCZSWRVPIIKHSQ-UHFFFAOYSA-N 0 3 297.402 2.892 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2sccc2C(F)F)C1 ZINC000989734295 620388447 /nfs/dbraw/zinc/38/84/47/620388447.db2.gz SOCZTWDYXCSFQJ-VHSXEESVSA-N 0 3 298.358 2.512 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000989758128 620390347 /nfs/dbraw/zinc/39/03/47/620390347.db2.gz HTVPITUYNOBWQC-INIZCTEOSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000989869781 620396486 /nfs/dbraw/zinc/39/64/86/620396486.db2.gz DLWXSPNRIYZLMV-GOEBONIOSA-N 0 3 290.451 2.805 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989919263 620402812 /nfs/dbraw/zinc/40/28/12/620402812.db2.gz NFDZZNBIXRDTPG-WBVHZDCISA-N 0 3 270.376 2.599 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989928512 620403882 /nfs/dbraw/zinc/40/38/82/620403882.db2.gz IFWPVODUMBVRPI-WMZOPIPTSA-N 0 3 284.403 2.908 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)C(C)=C3CCCC3)CCC[C@@H]12 ZINC000990190383 620412247 /nfs/dbraw/zinc/41/22/47/620412247.db2.gz DDCBFJHSAQVVSU-AEFFLSMTSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3CC)CCC[C@@H]12 ZINC000990458608 620424644 /nfs/dbraw/zinc/42/46/44/620424644.db2.gz ZZVRHWNVCCDOLN-WBVHZDCISA-N 0 3 288.391 2.755 20 30 CFEDHN C=C1CCC(CN[C@@H](c2nnc[nH]2)c2cccnc2)CC1 ZINC000926924928 620425079 /nfs/dbraw/zinc/42/50/79/620425079.db2.gz GMELCBKSAULEIV-OAHLLOKOSA-N 0 3 283.379 2.625 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1nonc1C)C(C)C ZINC000924644001 620430967 /nfs/dbraw/zinc/43/09/67/620430967.db2.gz SBHDRLIKMTYGRJ-UKRRQHHQSA-N 0 3 292.427 2.727 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccsc3C)CCC[C@H]12 ZINC000990587472 620432850 /nfs/dbraw/zinc/43/28/50/620432850.db2.gz IQAPPTARJMFPAR-GOEBONIOSA-N 0 3 290.432 2.969 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CNC/C=C/Cl)cc1 ZINC000898437206 620464828 /nfs/dbraw/zinc/46/48/28/620464828.db2.gz YOVPEVQKVYDDDO-HVUAZKLTSA-N 0 3 250.729 2.820 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014641786 620593649 /nfs/dbraw/zinc/59/36/49/620593649.db2.gz ZLMTZBXPQOMMMV-GOSISDBHSA-N 0 3 296.414 2.782 20 30 CFEDHN C[C@H](NCCOc1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902759644 621166472 /nfs/dbraw/zinc/16/64/72/621166472.db2.gz BDZVZBAHELQWOE-LBPRGKRZSA-N 0 3 285.322 2.822 20 30 CFEDHN CCc1cnc(CCN[C@H](C)c2cc(C#N)ccn2)s1 ZINC000902826306 621183350 /nfs/dbraw/zinc/18/33/50/621183350.db2.gz QRWDNLVKEPLCEL-LLVKDONJSA-N 0 3 286.404 2.865 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)c1ccc(F)cc1 ZINC000902809339 621184119 /nfs/dbraw/zinc/18/41/19/621184119.db2.gz KYUWJVRYGJSYPT-JKDFXYPNSA-N 0 3 299.349 2.865 20 30 CFEDHN CCCC(O)(CCC)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902812002 621184600 /nfs/dbraw/zinc/18/46/00/621184600.db2.gz MPLLNELMLDTPPC-ZDUSSCGKSA-N 0 3 275.396 2.935 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)c1cccc(F)c1 ZINC000902875419 621195130 /nfs/dbraw/zinc/19/51/30/621195130.db2.gz NCHWFNMLUHFWFU-XWCIJXRUSA-N 0 3 299.349 2.865 20 30 CFEDHN C[C@H](NCC1(CO)CCCCC1)c1cc(C#N)ccn1 ZINC000902877522 621197763 /nfs/dbraw/zinc/19/77/63/621197763.db2.gz UXAGJEXTMFUQJU-ZDUSSCGKSA-N 0 3 273.380 2.547 20 30 CFEDHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cc(C#N)ccn1 ZINC000902941772 621207002 /nfs/dbraw/zinc/20/70/02/621207002.db2.gz HYUVOJMMANUFGK-BXUZGUMPSA-N 0 3 273.380 2.950 20 30 CFEDHN C[C@@H](NC[C@@H]1CCCCS1)c1cc(C#N)ccn1 ZINC000902947830 621212109 /nfs/dbraw/zinc/21/21/09/621212109.db2.gz MLKOAADAGIVXDJ-YPMHNXCESA-N 0 3 261.394 2.890 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CN[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902982602 621216972 /nfs/dbraw/zinc/21/69/72/621216972.db2.gz LUOFUAUORKDJJC-RDTXWAMCSA-N 0 3 295.386 2.954 20 30 CFEDHN C[C@H](N[C@@H](CCO)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902982276 621217282 /nfs/dbraw/zinc/21/72/82/621217282.db2.gz YZJLGOYRQJHLHH-YOEHRIQHSA-N 0 3 295.386 2.598 20 30 CFEDHN C#CCN(C(=O)Nc1ccc(C)cc1)C1CCN(C)CC1 ZINC000902984812 621217603 /nfs/dbraw/zinc/21/76/03/621217603.db2.gz APRDTKQDJMNKKM-UHFFFAOYSA-N 0 3 285.391 2.556 20 30 CFEDHN CCc1ccc([C@H](O)CN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902986673 621217620 /nfs/dbraw/zinc/21/76/20/621217620.db2.gz FFQYHOBHIZMRAH-FZKQIMNGSA-N 0 3 295.386 2.900 20 30 CFEDHN CC[C@@H](N[C@@H](CO)CC(F)F)c1cccc(C#N)c1 ZINC000902972216 621221017 /nfs/dbraw/zinc/22/10/17/621221017.db2.gz BSRXIENNHMWNSP-CHWSQXEVSA-N 0 3 268.307 2.615 20 30 CFEDHN COC1(CN[C@H](C)c2cc(C#N)ccn2)CCCC1 ZINC000902999952 621225099 /nfs/dbraw/zinc/22/50/99/621225099.db2.gz GGCSZWNVTYQYCZ-GFCCVEGCSA-N 0 3 259.353 2.563 20 30 CFEDHN CC[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1cccc(C#N)c1 ZINC000903035184 621230737 /nfs/dbraw/zinc/23/07/37/621230737.db2.gz KPJIFMUNQQHJSF-HOTGVXAUSA-N 0 3 299.418 2.998 20 30 CFEDHN C[C@@H](NCC1(C#N)CCC1)[C@@H]1COc2ccccc2C1 ZINC000903036013 621230776 /nfs/dbraw/zinc/23/07/76/621230776.db2.gz ZDOFBSFNAJJUBO-HIFRSBDPSA-N 0 3 270.376 2.910 20 30 CFEDHN C[C@@H](NCC1(C#N)CCC1)[C@H]1COc2ccccc2C1 ZINC000903036014 621230782 /nfs/dbraw/zinc/23/07/82/621230782.db2.gz ZDOFBSFNAJJUBO-UKRRQHHQSA-N 0 3 270.376 2.910 20 30 CFEDHN C[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000903043051 621233003 /nfs/dbraw/zinc/23/30/03/621233003.db2.gz OGBPONPKXOACIO-NWDGAFQWSA-N 0 3 289.379 2.582 20 30 CFEDHN CO[C@H](CN[C@@H](C)c1cc(C#N)ccn1)CC(C)C ZINC000903024728 621233886 /nfs/dbraw/zinc/23/38/86/621233886.db2.gz NLQHZPOCKVVKLN-JSGCOSHPSA-N 0 3 261.369 2.665 20 30 CFEDHN CO[C@H](CN[C@H](C)c1cc(C#N)ccn1)C1CCCC1 ZINC000903055611 621235469 /nfs/dbraw/zinc/23/54/69/621235469.db2.gz BOPRXULRCBDWEN-MLGOLLRUSA-N 0 3 273.380 2.809 20 30 CFEDHN CO[C@H](CN[C@@H](C)c1cc(C#N)ccn1)C1CCCC1 ZINC000903055609 621235651 /nfs/dbraw/zinc/23/56/51/621235651.db2.gz BOPRXULRCBDWEN-BLLLJJGKSA-N 0 3 273.380 2.809 20 30 CFEDHN C[C@@H](NCC1(O)CCC(C)CC1)c1cc(C#N)ccn1 ZINC000903059695 621237146 /nfs/dbraw/zinc/23/71/46/621237146.db2.gz TWTRIZGLHLSIRI-MFOWVQHXSA-N 0 3 273.380 2.545 20 30 CFEDHN Cc1cccc2c1C[C@@H](N[C@@H](C)c1cc(C#N)ccn1)CO2 ZINC000903063788 621238393 /nfs/dbraw/zinc/23/83/93/621238393.db2.gz IHSQEWVPKAHSFF-DZGCQCFKSA-N 0 3 293.370 2.916 20 30 CFEDHN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903051284 621242134 /nfs/dbraw/zinc/24/21/34/621242134.db2.gz HZKFXDWHCHAHSZ-YRGRVCCFSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@@H](NC[C@H]1c2ccccc2CN1C)c1cc(C#N)ccn1 ZINC000903080358 621245273 /nfs/dbraw/zinc/24/52/73/621245273.db2.gz JVOJAUKJUOFZLO-ACJLOTCBSA-N 0 3 292.386 2.791 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000903130343 621263445 /nfs/dbraw/zinc/26/34/45/621263445.db2.gz MFUXEVBFLUYADC-AWEZNQCLSA-N 0 3 277.412 2.927 20 30 CFEDHN COc1cc([C@@H](C)NCCCC#N)cc([N+](=O)[O-])c1 ZINC000903147087 621268435 /nfs/dbraw/zinc/26/84/35/621268435.db2.gz DXRJHINOYBEULC-SNVBAGLBSA-N 0 3 263.297 2.558 20 30 CFEDHN CN(C)c1ccnc(CN[C@H]2CCc3ccc(C#N)cc32)c1 ZINC000903198546 621282862 /nfs/dbraw/zinc/28/28/62/621282862.db2.gz MAQSEECTDXPMKP-SFHVURJKSA-N 0 3 292.386 2.796 20 30 CFEDHN N#Cc1ccc(NCCN[C@H](c2ccccn2)C2CC2)nc1 ZINC000903227356 621296833 /nfs/dbraw/zinc/29/68/33/621296833.db2.gz MGKRHKKVSHIFGX-KRWDZBQOSA-N 0 3 293.374 2.501 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1nc(CN(C)C)cs1 ZINC000903227461 621296913 /nfs/dbraw/zinc/29/69/13/621296913.db2.gz VLDYKPWZKONFGT-NWDGAFQWSA-N 0 3 267.442 2.895 20 30 CFEDHN N#Cc1ccc(NCCN[C@@H](c2ccccn2)C2CC2)nc1 ZINC000903227357 621297061 /nfs/dbraw/zinc/29/70/61/621297061.db2.gz MGKRHKKVSHIFGX-QGZVFWFLSA-N 0 3 293.374 2.501 20 30 CFEDHN C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)c1cc(C#N)ccn1 ZINC000903250577 621299022 /nfs/dbraw/zinc/29/90/22/621299022.db2.gz AXMBIZKMOFKSBQ-PJODQICGSA-N 0 3 271.364 2.561 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903293100 621312117 /nfs/dbraw/zinc/31/21/17/621312117.db2.gz ARWJJFQVZMFKJC-TZMCWYRMSA-N 0 3 284.359 2.729 20 30 CFEDHN C[C@H](N[C@@H]1COC[C@@H]1C1CC1)c1ccc(C#N)cc1F ZINC000903438148 621375437 /nfs/dbraw/zinc/37/54/37/621375437.db2.gz SAWZAXYCHYMXOO-DRZCJDIDSA-N 0 3 274.339 2.773 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000832718368 625492752 /nfs/dbraw/zinc/49/27/52/625492752.db2.gz HHWTUPDWYWBCRC-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C[N@@H+]1CC[C@H](CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904196277 621547841 /nfs/dbraw/zinc/54/78/41/621547841.db2.gz SFCLTAAXSFXEGD-MRXNPFEDSA-N 0 3 290.407 2.569 20 30 CFEDHN C[N@H+]1CC[C@H](CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904196277 621547844 /nfs/dbraw/zinc/54/78/44/621547844.db2.gz SFCLTAAXSFXEGD-MRXNPFEDSA-N 0 3 290.407 2.569 20 30 CFEDHN N#Cc1ccc(-c2nc(C(F)(F)F)n3c2CNCC3)cc1 ZINC000904766438 621641911 /nfs/dbraw/zinc/64/19/11/621641911.db2.gz KOQWEJQMUXKJCD-UHFFFAOYSA-N 0 3 292.264 2.544 20 30 CFEDHN N#Cc1sccc1-c1ccc([C@@H]2CNCCO2)cc1 ZINC000904894497 621673556 /nfs/dbraw/zinc/67/35/56/621673556.db2.gz IZSRIEHEODFECE-AWEZNQCLSA-N 0 3 270.357 2.948 20 30 CFEDHN CC1/C(=C\c2ccc3c(c2)CC(C)(C)O3)C(=O)c2ncnn21 ZINC000905080229 621690969 /nfs/dbraw/zinc/69/09/69/621690969.db2.gz JIKNPKBVIKDUPD-JLATVTFTSA-N 0 3 295.342 2.833 20 30 CFEDHN CCOc1ccccc1/C=C1\C(=O)c2ncnn2C1C ZINC000905079696 621691141 /nfs/dbraw/zinc/69/11/41/621691141.db2.gz FEVHUXGAODHYEL-UVIKPUKZSA-N 0 3 269.304 2.518 20 30 CFEDHN CCCOc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905081839 621691451 /nfs/dbraw/zinc/69/14/51/621691451.db2.gz TXYLRBFCSJCSHE-HOXUKUGESA-N 0 3 283.331 2.908 20 30 CFEDHN CCOc1cc(F)cc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905085466 621692593 /nfs/dbraw/zinc/69/25/93/621692593.db2.gz NJSUYPHKDMGVLC-CVSYOPMASA-N 0 3 287.294 2.657 20 30 CFEDHN CSc1ccc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905086947 621692821 /nfs/dbraw/zinc/69/28/21/621692821.db2.gz UWKOENGCJVCGNX-JGESFRBXSA-N 0 3 277.374 2.902 20 30 CFEDHN CCOc1cccc(F)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905087376 621692932 /nfs/dbraw/zinc/69/29/32/621692932.db2.gz XSASDLCHGGDHDP-HZAKCSEPSA-N 0 3 287.294 2.657 20 30 CFEDHN CC1/C(=C/c2ccc3c(c2)CCCC3)C(=O)c2ncnn21 ZINC000905087790 621693348 /nfs/dbraw/zinc/69/33/48/621693348.db2.gz ZOXGFSJVBWRYBN-GPILYODUSA-N 0 3 279.343 2.998 20 30 CFEDHN N#Cc1ccc([C@H](O)CN[C@H]2CCCc3cccnc32)cc1 ZINC000905602961 621795804 /nfs/dbraw/zinc/79/58/04/621795804.db2.gz UUTYLZQNWDBFQW-DLBZAZTESA-N 0 3 293.370 2.654 20 30 CFEDHN CCC[C@@H](N)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905835476 621873433 /nfs/dbraw/zinc/87/34/33/621873433.db2.gz DFQNDFFFTLDLNK-CYBMUJFWSA-N 0 3 289.770 2.651 20 30 CFEDHN CC(C)[C@H](N)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905838845 621874371 /nfs/dbraw/zinc/87/43/71/621874371.db2.gz OJCIUYXGPFXVRB-AWEZNQCLSA-N 0 3 289.770 2.507 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(CC)n3)CCC[C@H]12 ZINC000991086857 622063216 /nfs/dbraw/zinc/06/32/16/622063216.db2.gz DHOKNZRHLQSASM-FUHWJXTLSA-N 0 3 299.418 2.557 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910269094 622422148 /nfs/dbraw/zinc/42/21/48/622422148.db2.gz DWGRRCXMCQKWPB-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[C@H](Cc1ccccc1C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000819944400 622579167 /nfs/dbraw/zinc/57/91/67/622579167.db2.gz MYTUIQNIOYXRLS-CJNGLKHVSA-N 0 3 298.386 2.551 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000911907356 622581270 /nfs/dbraw/zinc/58/12/70/622581270.db2.gz YMJSKZDGIKEKEK-GFCCVEGCSA-N 0 3 277.324 2.525 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)CCc1ccccc1 ZINC000911931050 622590832 /nfs/dbraw/zinc/59/08/32/622590832.db2.gz JZLYWXFFBYMLNL-ZBFHGGJFSA-N 0 3 274.408 2.808 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000911936562 622591754 /nfs/dbraw/zinc/59/17/54/622591754.db2.gz DGUCRNPFOHSRHO-CVEARBPZSA-N 0 3 272.392 2.864 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)ccc1C ZINC000911939059 622593172 /nfs/dbraw/zinc/59/31/72/622593172.db2.gz SYMWXCNOEDJNFT-GFCCVEGCSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC)Cc1ccccc1 ZINC000911940657 622593797 /nfs/dbraw/zinc/59/37/97/622593797.db2.gz SZTKXHFFNANWFY-OAHLLOKOSA-N 0 3 260.381 2.719 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000911957409 622597232 /nfs/dbraw/zinc/59/72/32/622597232.db2.gz MKRYUJGHSULKMY-ZOBORPQBSA-N 0 3 252.402 2.611 20 30 CFEDHN CCCCCCCC[C@H](N)C(=O)Nc1nnc(C)s1 ZINC000911981304 622602172 /nfs/dbraw/zinc/60/21/72/622602172.db2.gz UYVLYOOAWAPXLB-NSHDSACASA-N 0 3 284.429 2.863 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000912170778 622655229 /nfs/dbraw/zinc/65/52/29/622655229.db2.gz PNVMVPNNGPBNRU-BBRMVZONSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000912172167 622656352 /nfs/dbraw/zinc/65/63/52/622656352.db2.gz SEGKFQZWOVHMKV-MRXNPFEDSA-N 0 3 286.419 2.908 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](CC)c1ccccc1 ZINC000912238767 622664065 /nfs/dbraw/zinc/66/40/65/622664065.db2.gz LMTBJUQYRLRENE-CABCVRRESA-N 0 3 260.381 2.938 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)c(F)cc1F ZINC000912273587 622668163 /nfs/dbraw/zinc/66/81/63/622668163.db2.gz GMAKFNITXPBZAR-LLVKDONJSA-N 0 3 272.270 2.726 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(OC(F)F)c1 ZINC000912264319 622668667 /nfs/dbraw/zinc/66/86/67/622668667.db2.gz ARXGTNDYMNKQPJ-LBPRGKRZSA-N 0 3 284.306 2.910 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cccc(OC)c1 ZINC000912254681 622673775 /nfs/dbraw/zinc/67/37/75/622673775.db2.gz WBRZPVZZLVWUEC-IUODEOHRSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1OCC ZINC000912343415 622690976 /nfs/dbraw/zinc/69/09/76/622690976.db2.gz NQYOVLZQNNIMLB-DZGCQCFKSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C1CC1)C1CCCC1 ZINC000912334489 622694243 /nfs/dbraw/zinc/69/42/43/622694243.db2.gz ZKDDRBKHCYRGHO-AWEZNQCLSA-N 0 3 250.386 2.604 20 30 CFEDHN C[C@@H](C#N)N(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC1 ZINC000912410633 622708841 /nfs/dbraw/zinc/70/88/41/622708841.db2.gz FXRPTNTXKZCEON-LBPRGKRZSA-N 0 3 296.374 2.807 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(CC)o3)CCC[C@@H]12 ZINC000991415880 622789904 /nfs/dbraw/zinc/78/99/04/622789904.db2.gz LUZWOLUDDUVWJZ-NVXWUHKLSA-N 0 3 288.391 2.755 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(CC)C1CCN(C)CC1 ZINC000821401195 622914648 /nfs/dbraw/zinc/91/46/48/622914648.db2.gz REJNAKAEOVPFGU-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN N#CC(C(=O)CCc1ccccc1)c1ccccn1 ZINC000046439703 623074780 /nfs/dbraw/zinc/07/47/80/623074780.db2.gz KYAKWGVCLFRLQD-CQSZACIVSA-N 0 3 250.301 2.891 20 30 CFEDHN N#CC(C(=O)CCc1ccccc1)c1ccccn1 ZINC000046439702 623075257 /nfs/dbraw/zinc/07/52/57/623075257.db2.gz KYAKWGVCLFRLQD-AWEZNQCLSA-N 0 3 250.301 2.891 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000822494606 623115625 /nfs/dbraw/zinc/11/56/25/623115625.db2.gz RVLDXDWRAZAAOA-GWCFXTLKSA-N 0 3 297.782 2.735 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CCC[C@H]12 ZINC000991785899 623140168 /nfs/dbraw/zinc/14/01/68/623140168.db2.gz RQTCDJRMPXXPBQ-BSXFFOKHSA-N 0 3 290.451 2.968 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccnc2Cl)CC1 ZINC000171679941 623238097 /nfs/dbraw/zinc/23/80/97/623238097.db2.gz XDIOBEIJTCEXCL-UHFFFAOYSA-N 0 3 294.786 2.507 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000171776961 623242525 /nfs/dbraw/zinc/24/25/25/623242525.db2.gz NEYDYHNDHWEAGU-HOCLYGCPSA-N 0 3 298.386 2.730 20 30 CFEDHN CC(C)C#CC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000823248639 623276104 /nfs/dbraw/zinc/27/61/04/623276104.db2.gz QDYZBJAUFSTYTE-UHFFFAOYSA-N 0 3 278.440 2.616 20 30 CFEDHN C#CCCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000823629230 623365467 /nfs/dbraw/zinc/36/54/67/623365467.db2.gz LKOHDXJEOWBMNC-HUUCEWRRSA-N 0 3 263.768 2.861 20 30 CFEDHN C=CCCOCCNCc1cccc([N+](=O)[O-])c1C ZINC000231819324 623369668 /nfs/dbraw/zinc/36/96/68/623369668.db2.gz JXWYBQWGEWWZIM-UHFFFAOYSA-N 0 3 264.325 2.586 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)CCC(F)(F)F ZINC000173942864 623375697 /nfs/dbraw/zinc/37/56/97/623375697.db2.gz KHAYOOZEIUPIIQ-SNVBAGLBSA-N 0 3 292.301 2.734 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@@H]12 ZINC000992109908 623457016 /nfs/dbraw/zinc/45/70/16/623457016.db2.gz FTVFTEZBQRCMSK-CRAIPNDOSA-N 0 3 288.435 2.866 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992125215 623462100 /nfs/dbraw/zinc/46/21/00/623462100.db2.gz CTWBGSNAVZBXOC-HDMKZQKVSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992157384 623472414 /nfs/dbraw/zinc/47/24/14/623472414.db2.gz AIKRPDZBILVJDY-AIANPOQGSA-N 0 3 276.424 2.722 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824363391 623496206 /nfs/dbraw/zinc/49/62/06/623496206.db2.gz DBCNRQXDPKMUJD-OAHLLOKOSA-N 0 3 296.370 2.873 20 30 CFEDHN C#C[C@@H](NCc1cc(C(=O)OCC)c(C)[nH]1)C(C)(C)C ZINC000824403701 623501668 /nfs/dbraw/zinc/50/16/68/623501668.db2.gz ZENACJWXKJDNQZ-CQSZACIVSA-N 0 3 276.380 2.637 20 30 CFEDHN C#C[C@H](NCc1cc(C(=O)OCC)c(C)[nH]1)C(C)(C)C ZINC000824403700 623501758 /nfs/dbraw/zinc/50/17/58/623501758.db2.gz ZENACJWXKJDNQZ-AWEZNQCLSA-N 0 3 276.380 2.637 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CCC3)CCC[C@H]12 ZINC000992338081 623520055 /nfs/dbraw/zinc/52/00/55/623520055.db2.gz KTOOUZGFZKFVDE-UIBIWLFHSA-N 0 3 288.435 2.722 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H](C)C(=O)Nc1ccccc1 ZINC000925391373 623526366 /nfs/dbraw/zinc/52/63/66/623526366.db2.gz XEHIUCRCLFJIBO-CHWSQXEVSA-N 0 3 273.380 2.932 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3(F)CCCCC3)CCC[C@@H]12 ZINC000992377839 623528519 /nfs/dbraw/zinc/52/85/19/623528519.db2.gz IRLQYAKWWZBDCV-PBHICJAKSA-N 0 3 294.414 2.958 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@@H]12 ZINC000992426730 623549947 /nfs/dbraw/zinc/54/99/47/623549947.db2.gz UHCWBBGTVOJTMO-YFHUEUNASA-N 0 3 288.435 2.559 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@H]12 ZINC000992441775 623561042 /nfs/dbraw/zinc/56/10/42/623561042.db2.gz RJKZNWPZKYGGBW-HHXXYDBFSA-N 0 3 296.414 2.537 20 30 CFEDHN CC#CCCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000185012630 625674098 /nfs/dbraw/zinc/67/40/98/625674098.db2.gz FGQHTDANDLDCCQ-CQSZACIVSA-N 0 3 280.412 2.731 20 30 CFEDHN C#CCSCCNCc1nc2ccccc2n1CC ZINC000152924509 623793385 /nfs/dbraw/zinc/79/33/85/623793385.db2.gz ZKCPZGDJUDTRDG-UHFFFAOYSA-N 0 3 273.405 2.512 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)C(C)(F)F)[C@H]1C ZINC000992978248 623827063 /nfs/dbraw/zinc/82/70/63/623827063.db2.gz FCQTVEAMBKHGOH-NEPJUHHUSA-N 0 3 274.355 2.577 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(CF)cc2)CC1 ZINC000826655471 623832389 /nfs/dbraw/zinc/83/23/89/623832389.db2.gz CARXQWGTDJXVJU-UHFFFAOYSA-N 0 3 276.355 2.536 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993023713 623845743 /nfs/dbraw/zinc/84/57/43/623845743.db2.gz CZGMHIAZVRXVPI-OCCSQVGLSA-N 0 3 278.421 2.907 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993024726 623851533 /nfs/dbraw/zinc/85/15/33/623851533.db2.gz PGRXCBAUVKQRMV-AAEUAGOBSA-N 0 3 295.814 2.827 20 30 CFEDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC000826861635 623895825 /nfs/dbraw/zinc/89/58/25/623895825.db2.gz IAWWPYLSLOSLJL-CYBMUJFWSA-N 0 3 274.364 2.917 20 30 CFEDHN CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c([O-])c1 ZINC000826861635 623895835 /nfs/dbraw/zinc/89/58/35/623895835.db2.gz IAWWPYLSLOSLJL-CYBMUJFWSA-N 0 3 274.364 2.917 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993116792 623923144 /nfs/dbraw/zinc/92/31/44/623923144.db2.gz FOKIWXXWPHSCNQ-DOTOQJQBSA-N 0 3 290.451 2.949 20 30 CFEDHN C#C[C@H](NCc1cc(-c2ccccc2)n[nH]1)C1CCOCC1 ZINC000827565479 624033440 /nfs/dbraw/zinc/03/34/40/624033440.db2.gz MHHSGUBKLQPRSR-KRWDZBQOSA-N 0 3 295.386 2.595 20 30 CFEDHN C#C[C@H](NCc1ccc(Cl)c(F)c1)C1CCOCC1 ZINC000827570253 624035186 /nfs/dbraw/zinc/03/51/86/624035186.db2.gz KDJSNXAQVRGFMD-HNNXBMFYSA-N 0 3 281.758 2.997 20 30 CFEDHN C#C[C@H](NCc1c[nH]c(-c2ccccc2)n1)C1CCOCC1 ZINC000827571238 624036743 /nfs/dbraw/zinc/03/67/43/624036743.db2.gz XPXPEFYCTWWATD-KRWDZBQOSA-N 0 3 295.386 2.595 20 30 CFEDHN C#C[C@H](NCc1cnc(-c2ccccc2)[nH]1)C1CCOCC1 ZINC000827571238 624036748 /nfs/dbraw/zinc/03/67/48/624036748.db2.gz XPXPEFYCTWWATD-KRWDZBQOSA-N 0 3 295.386 2.595 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000993233700 624055027 /nfs/dbraw/zinc/05/50/27/624055027.db2.gz LEFJYKWQOLWIQR-GOEBONIOSA-N 0 3 290.407 2.676 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993262684 624059326 /nfs/dbraw/zinc/05/93/26/624059326.db2.gz UPAQVAMGQUXGBB-DGCLKSJQSA-N 0 3 294.782 2.539 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000993260429 624060045 /nfs/dbraw/zinc/06/00/45/624060045.db2.gz QSZQLXJNLTVXRT-XJKSGUPXSA-N 0 3 289.423 2.736 20 30 CFEDHN CCCCCCCC(=O)NCCN1CCCCC1 ZINC000915626190 624088275 /nfs/dbraw/zinc/08/82/75/624088275.db2.gz WOUHABCAUJRRPY-UHFFFAOYSA-N 0 3 254.418 2.949 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccncc2C)[C@H]1C ZINC000993325899 624099576 /nfs/dbraw/zinc/09/95/76/624099576.db2.gz KZKMNAYKOHVXFG-ZBFHGGJFSA-N 0 3 287.407 2.549 20 30 CFEDHN C#CCC[N@@H+](CCOC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000827822706 624102489 /nfs/dbraw/zinc/10/24/89/624102489.db2.gz CSDXNTUOHNATPF-UHFFFAOYSA-N 0 3 297.782 2.526 20 30 CFEDHN C#CCC[N@H+](CCOC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000827822706 624102490 /nfs/dbraw/zinc/10/24/90/624102490.db2.gz CSDXNTUOHNATPF-UHFFFAOYSA-N 0 3 297.782 2.526 20 30 CFEDHN C#CCCN(C/C=C\c1ccccc1OC)CCOC ZINC000827823435 624102515 /nfs/dbraw/zinc/10/25/15/624102515.db2.gz OWJIVCFPZAZNNG-NTMALXAHSA-N 0 3 273.376 2.680 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993691940 624161028 /nfs/dbraw/zinc/16/10/28/624161028.db2.gz HYFDMPLCFHMFGJ-UKRRQHHQSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993758568 624165182 /nfs/dbraw/zinc/16/51/82/624165182.db2.gz APECNPXEQSYGFC-RYUDHWBXSA-N 0 3 295.814 2.827 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993820245 624169141 /nfs/dbraw/zinc/16/91/41/624169141.db2.gz JUEDXAGBAQUTIW-QAPCUYQASA-N 0 3 296.414 2.936 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994298158 624275183 /nfs/dbraw/zinc/27/51/83/624275183.db2.gz QCHNIMZXTLTDRA-FUHWJXTLSA-N 0 3 298.430 2.909 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ccco2)nc(C)n1 ZINC000916880047 624290020 /nfs/dbraw/zinc/29/00/20/624290020.db2.gz JCORSCJECLVHFA-CFHLNLSMSA-N 0 3 267.288 2.576 20 30 CFEDHN N#CCCNC(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000917064870 624305796 /nfs/dbraw/zinc/30/57/96/624305796.db2.gz PEGDMKBLXBCILO-INIZCTEOSA-N 0 3 285.391 2.634 20 30 CFEDHN CC(C)C#CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000829245451 624408206 /nfs/dbraw/zinc/40/82/06/624408206.db2.gz MAJJTVSKGJUXMJ-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN C[C@H](O)C[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921987380 626191059 /nfs/dbraw/zinc/19/10/59/626191059.db2.gz ZUFBYMKZVAOPPQ-UWVGGRQHSA-N 0 3 297.196 2.570 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000829775164 624530941 /nfs/dbraw/zinc/53/09/41/624530941.db2.gz YTKASWMNWWEZIO-CYBMUJFWSA-N 0 3 275.348 2.610 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000829778609 624533108 /nfs/dbraw/zinc/53/31/08/624533108.db2.gz FIPDKNYXQMLJAG-BLLLJJGKSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000829779009 624533385 /nfs/dbraw/zinc/53/33/85/624533385.db2.gz LTBTUEPDILSESW-LRDDRELGSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000829779589 624534654 /nfs/dbraw/zinc/53/46/54/624534654.db2.gz XDEKOHGXHMASSE-GJZGRUSLSA-N 0 3 270.376 2.749 20 30 CFEDHN C#CC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000829805324 624546687 /nfs/dbraw/zinc/54/66/87/624546687.db2.gz RZDDKIVUFMVSFD-MRXNPFEDSA-N 0 3 255.336 2.913 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000829816098 624555702 /nfs/dbraw/zinc/55/57/02/624555702.db2.gz ZHBCCJXFQHHBRI-CYBMUJFWSA-N 0 3 288.347 2.839 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930081255 624580706 /nfs/dbraw/zinc/58/07/06/624580706.db2.gz JCWFKTCBQWIHFJ-IAQYHMDHSA-N 0 3 278.783 2.947 20 30 CFEDHN C=CCN(C(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000919790091 624617343 /nfs/dbraw/zinc/61/73/43/624617343.db2.gz MAJJBGPNTIHRDA-UHFFFAOYSA-N 0 3 289.423 2.724 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC000830105131 624628817 /nfs/dbraw/zinc/62/88/17/624628817.db2.gz FTFIHFKQPYZGGB-INIZCTEOSA-N 0 3 285.391 2.954 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000830311721 624705850 /nfs/dbraw/zinc/70/58/50/624705850.db2.gz UBUCUHATUPUVKP-JKSUJKDBSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000830316587 624707874 /nfs/dbraw/zinc/70/78/74/624707874.db2.gz YWXKTZCWLIYILL-HOTGVXAUSA-N 0 3 298.430 2.906 20 30 CFEDHN CC[C@@H](C(=O)Nc1ccc(OC)c(C#N)c1)N(CC)CC ZINC000830416626 624740276 /nfs/dbraw/zinc/74/02/76/624740276.db2.gz CMYNGZVMMNFSQK-AWEZNQCLSA-N 0 3 289.379 2.626 20 30 CFEDHN C#CCOc1ccccc1CNc1cc(CN(C)C)ccn1 ZINC000181526184 625172336 /nfs/dbraw/zinc/17/23/36/625172336.db2.gz JBKKQRQUJUAXIU-UHFFFAOYSA-N 0 3 295.386 2.767 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@H]1C=CCC1 ZINC000069910945 625242886 /nfs/dbraw/zinc/24/28/86/625242886.db2.gz QUHAHAMNXDAUJK-KBPBESRZSA-N 0 3 276.380 2.748 20 30 CFEDHN CN(C)c1ccc(/C=C/C=NOC[C@H]2CCOC2)cc1 ZINC000834973096 625939385 /nfs/dbraw/zinc/93/93/85/625939385.db2.gz LQGONFIMZMTYLW-YHTWWVPJSA-N 0 3 274.364 2.805 20 30 CFEDHN CCC1(CC)[C@H](NC[C@H](C#N)CCC#N)[C@@H](C)[C@H]1OC ZINC000770623981 625944271 /nfs/dbraw/zinc/94/42/71/625944271.db2.gz RTWGSPUZDSZYJR-LXTVHRRPSA-N 0 3 277.412 2.859 20 30 CFEDHN Cc1ccc(CNN=Cc2ccc(N(C)CCO)cc2)cc1 ZINC000835009366 625955930 /nfs/dbraw/zinc/95/59/30/625955930.db2.gz ROMDDGPPXAGNTL-UHFFFAOYSA-N 0 3 297.402 2.547 20 30 CFEDHN CCC(=NN[C@@H]1CCOC1(C)C)c1cccc(N)c1 ZINC000835022043 625967631 /nfs/dbraw/zinc/96/76/31/625967631.db2.gz VLHBSNWCSJOCMM-CQSZACIVSA-N 0 3 261.369 2.540 20 30 CFEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000997275381 625986271 /nfs/dbraw/zinc/98/62/71/625986271.db2.gz WMKXBXYXMIBXIK-ZBFHGGJFSA-N 0 3 290.451 2.663 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000997466771 625996099 /nfs/dbraw/zinc/99/60/99/625996099.db2.gz KVSIQPVLVOMAJU-HNNXBMFYSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997924162 626023085 /nfs/dbraw/zinc/02/30/85/626023085.db2.gz BFBUBROTYJOBPM-KRWDZBQOSA-N 0 3 284.403 2.636 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)CC1 ZINC000998138690 626033885 /nfs/dbraw/zinc/03/38/85/626033885.db2.gz DULCXVLCHMYFSB-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCN1CCC[C@H](N(CC)C(=O)c2nccs2)CC1 ZINC000998162843 626034515 /nfs/dbraw/zinc/03/45/15/626034515.db2.gz VWISJHFAINSOSY-ZDUSSCGKSA-N 0 3 293.436 2.646 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2ccc(C)cc2)C1 ZINC000999741218 626078988 /nfs/dbraw/zinc/07/89/88/626078988.db2.gz ZBRYEMKYWCDURX-UHFFFAOYSA-N 0 3 292.810 2.940 20 30 CFEDHN CC[C@@H](CCO)NCc1cc(C#N)ccc1Br ZINC000921767868 626113650 /nfs/dbraw/zinc/11/36/50/626113650.db2.gz XUGDGMDZPDKBSI-LBPRGKRZSA-N 0 3 297.196 2.571 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cccc(C)c2)CC1 ZINC001000399938 626116499 /nfs/dbraw/zinc/11/64/99/626116499.db2.gz DQQGQBPOIYJRTC-UHFFFAOYSA-N 0 3 270.376 2.543 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C23CCC(CC2)C3)CC1 ZINC001000846086 626134626 /nfs/dbraw/zinc/13/46/26/626134626.db2.gz AGJTYRBZLKBMSA-UHFFFAOYSA-N 0 3 274.408 2.501 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001001124066 626146547 /nfs/dbraw/zinc/14/65/47/626146547.db2.gz BXQGDXIUWZVYFW-HOTGVXAUSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001001143311 626147922 /nfs/dbraw/zinc/14/79/22/626147922.db2.gz FPWPNWCNTQFLCL-CQSZACIVSA-N 0 3 298.377 2.746 20 30 CFEDHN C=C(C)COCCNCc1cn(C)nc1C1CCCC1 ZINC000921850960 626165913 /nfs/dbraw/zinc/16/59/13/626165913.db2.gz WEILRVWNQOLGOF-UHFFFAOYSA-N 0 3 277.412 2.760 20 30 CFEDHN C[C@@H](NCc1csc(C#N)c1)[C@@H](O)c1ccccc1 ZINC000922135934 626215576 /nfs/dbraw/zinc/21/55/76/626215576.db2.gz SRSNTUFMKWXUTM-IAQYHMDHSA-N 0 3 272.373 2.831 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)ccc1Br)[C@@H](C)O ZINC000922157236 626220191 /nfs/dbraw/zinc/22/01/91/626220191.db2.gz BMYJLIQBKIPNSH-NOZJJQNGSA-N 0 3 297.196 2.570 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1csc(C#N)c1 ZINC000922165529 626228108 /nfs/dbraw/zinc/22/81/08/626228108.db2.gz IXYVGFLSWADIDV-CHWSQXEVSA-N 0 3 250.367 2.667 20 30 CFEDHN CC(C)(CC#N)CNCc1nccc2c1CCCC2 ZINC000922176939 626231484 /nfs/dbraw/zinc/23/14/84/626231484.db2.gz DIZZKPAPYVPBIM-UHFFFAOYSA-N 0 3 257.381 2.990 20 30 CFEDHN N#Cc1cc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)cs1 ZINC000922455091 626291066 /nfs/dbraw/zinc/29/10/66/626291066.db2.gz LFVIOXBGCMGGSX-KOLCDFICSA-N 0 3 290.310 2.819 20 30 CFEDHN C=CCN1CCC(NC(=O)C23CCC(CC2)CC3)CC1 ZINC001004178886 626299440 /nfs/dbraw/zinc/29/94/40/626299440.db2.gz LMMCHSIQFRESLD-UHFFFAOYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCC(NC(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC001004240031 626317792 /nfs/dbraw/zinc/31/77/92/626317792.db2.gz FYVVQAPCVOSZOY-UHFFFAOYSA-N 0 3 290.451 2.969 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000851730439 634496236 /nfs/dbraw/zinc/49/62/36/634496236.db2.gz OPUALDSLIYUDCF-MUJYYYPQSA-N 0 3 282.387 2.584 20 30 CFEDHN Cc1nc2c(cccc2CCNCc2ccc(C#N)o2)o1 ZINC000922770642 626361690 /nfs/dbraw/zinc/36/16/90/626361690.db2.gz QLBYPSFZHOYJEE-UHFFFAOYSA-N 0 3 281.315 2.933 20 30 CFEDHN N#CC(C(=O)CCc1cccs1)c1ccccn1 ZINC000073971501 626401259 /nfs/dbraw/zinc/40/12/59/626401259.db2.gz DWPKFCQVQZTFIS-GFCCVEGCSA-N 0 3 256.330 2.952 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccccc2F)CC1 ZINC001005051296 626407228 /nfs/dbraw/zinc/40/72/28/626407228.db2.gz LOKFEQYPCVODAQ-UHFFFAOYSA-N 0 3 276.355 2.548 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001005431758 626414868 /nfs/dbraw/zinc/41/48/68/626414868.db2.gz DRGVYPFCVHAKNQ-GJZGRUSLSA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C)[C@H](NCc1cc(C#N)cs1)c1cnn(C)c1 ZINC000922897044 626422245 /nfs/dbraw/zinc/42/22/45/626422245.db2.gz XXMFKLNSFYDQCY-AWEZNQCLSA-N 0 3 274.393 2.840 20 30 CFEDHN N#Cc1ccc(CNCC[C@H]2OCCc3ccccc32)o1 ZINC000922960793 626434076 /nfs/dbraw/zinc/43/40/76/626434076.db2.gz AFAPCJFYAURGAO-QGZVFWFLSA-N 0 3 282.343 2.945 20 30 CFEDHN N#Cc1cc(CNC2([C@H]3CCCCO3)CC2)cs1 ZINC000923023627 626443395 /nfs/dbraw/zinc/44/33/95/626443395.db2.gz AEZSHHAGIHWQIB-CYBMUJFWSA-N 0 3 262.378 2.811 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000923173327 626454341 /nfs/dbraw/zinc/45/43/41/626454341.db2.gz FCBWOGHDHFJZKE-TUVASFSCSA-N 0 3 279.428 2.513 20 30 CFEDHN C#CCN(C(=O)N[C@@H](C)C(C)(C)CC)C1CCN(C)CC1 ZINC000923203278 626456552 /nfs/dbraw/zinc/45/65/52/626456552.db2.gz BQJBPYXBUMFKPK-AWEZNQCLSA-N 0 3 293.455 2.550 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001006081277 626473178 /nfs/dbraw/zinc/47/31/78/626473178.db2.gz CPEKEQWSQAWZGV-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001006101822 626474757 /nfs/dbraw/zinc/47/47/57/626474757.db2.gz CJVMPVFGNPGJOB-AWEZNQCLSA-N 0 3 290.407 2.800 20 30 CFEDHN C=C(Cl)CN1C[C@@H](C[C@@H]2COCCN2)c2ccccc21 ZINC000923541334 626479347 /nfs/dbraw/zinc/47/93/47/626479347.db2.gz RMDILRXXKLKQHG-ZIAGYGMSSA-N 0 3 292.810 2.721 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)CC(F)(F)F ZINC000838789022 626506937 /nfs/dbraw/zinc/50/69/37/626506937.db2.gz XSIKHYSWRVAOKX-ZJUUUORDSA-N 0 3 292.301 2.590 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC(F)(F)F ZINC000838789017 626506961 /nfs/dbraw/zinc/50/69/61/626506961.db2.gz XSIKHYSWRVAOKX-UWVGGRQHSA-N 0 3 292.301 2.590 20 30 CFEDHN CCOC(=O)CC(C)(C)CNCc1ccc(C#N)cc1F ZINC000838932798 626516433 /nfs/dbraw/zinc/51/64/33/626516433.db2.gz OKNTUJQCMSXYAS-UHFFFAOYSA-N 0 3 292.354 2.766 20 30 CFEDHN CN(C)Cc1cccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)c1 ZINC000839065302 626522766 /nfs/dbraw/zinc/52/27/66/626522766.db2.gz ZVXDSXOBMFVSFV-BBRMVZONSA-N 0 3 286.375 2.987 20 30 CFEDHN C#C[C@H](C)N[C@H]1C[C@@H](OCC)[C@@H]1Sc1ccccc1 ZINC000839088221 626524146 /nfs/dbraw/zinc/52/41/46/626524146.db2.gz PJGRUPSWJMVFNW-ARLBYUKCSA-N 0 3 275.417 2.936 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839190765 626530633 /nfs/dbraw/zinc/53/06/33/626530633.db2.gz AOQKRECXZWJTML-ZLDLUXBVSA-N 0 3 274.389 2.667 20 30 CFEDHN C#CCCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000839643282 626550838 /nfs/dbraw/zinc/55/08/38/626550838.db2.gz JKBHZLZRHCVSGZ-QGZVFWFLSA-N 0 3 269.344 2.510 20 30 CFEDHN C=C1CCN(C[C@](O)(CCCCCC)C(=O)OC)CC1 ZINC000851763952 634516699 /nfs/dbraw/zinc/51/66/99/634516699.db2.gz GFOAXMFYYJGRLJ-MRXNPFEDSA-N 0 3 283.412 2.513 20 30 CFEDHN N#CC(C(=O)C=CC1CCCCC1)c1ccncn1 ZINC000760356092 626739155 /nfs/dbraw/zinc/73/91/55/626739155.db2.gz FHWBVPMQZRCNHS-FWWRYZNZSA-N 0 3 255.321 2.789 20 30 CFEDHN C#CCCCNCc1ccc(OC)c(O)c1Br ZINC000760638507 626760310 /nfs/dbraw/zinc/76/03/10/626760310.db2.gz QUQHNQBNTTYUEC-UHFFFAOYSA-N 0 3 298.180 2.666 20 30 CFEDHN C#CCCN1CCN([C@@H](CC)c2ccccc2)CC1 ZINC000760839765 626776159 /nfs/dbraw/zinc/77/61/59/626776159.db2.gz BAGZJAQNOXJOGV-KRWDZBQOSA-N 0 3 256.393 2.779 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC(CC(C)C)CC1 ZINC000760923717 626784696 /nfs/dbraw/zinc/78/46/96/626784696.db2.gz CVOJXQSEVYRHLX-UHFFFAOYSA-N 0 3 278.440 2.945 20 30 CFEDHN C#CCOCCN(C)Cc1csc2ccccc12 ZINC000761112908 626806712 /nfs/dbraw/zinc/80/67/12/626806712.db2.gz DFBWCYQDFXODIK-UHFFFAOYSA-N 0 3 259.374 2.983 20 30 CFEDHN C=CCCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000805220061 626810870 /nfs/dbraw/zinc/81/08/70/626810870.db2.gz FUACNGLYXGNZFD-CQSZACIVSA-N 0 3 254.418 2.825 20 30 CFEDHN Cc1cc([C@H]2CCCN2C[C@H](O)c2ccc(C#N)cc2)on1 ZINC000763395180 626985439 /nfs/dbraw/zinc/98/54/39/626985439.db2.gz CQPSNSYTFBGDBQ-CVEARBPZSA-N 0 3 297.358 2.725 20 30 CFEDHN C#CCN(C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000763943962 627024004 /nfs/dbraw/zinc/02/40/04/627024004.db2.gz IDFQGDJCQYMIBT-CQSZACIVSA-N 0 3 297.320 2.706 20 30 CFEDHN Fc1cccc(F)c1N=NC1CCN2CCC[C@@H]12 ZINC000765576961 627148418 /nfs/dbraw/zinc/14/84/18/627148418.db2.gz MNZZPTNBTPDOTB-LBPRGKRZSA-N 0 3 251.280 2.601 20 30 CFEDHN C=CCN(C(=O)NC[C@H]1CCCCN1C1CC1)C(C)C ZINC000765665266 627152882 /nfs/dbraw/zinc/15/28/82/627152882.db2.gz ZOLRDSNYRWERNT-OAHLLOKOSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCN(C(=O)NC[C@@H]1CCCCN1C1CC1)C(C)C ZINC000765665263 627153144 /nfs/dbraw/zinc/15/31/44/627153144.db2.gz ZOLRDSNYRWERNT-HNNXBMFYSA-N 0 3 279.428 2.609 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cc(OCC)cc(CC=C)c1O ZINC000766665627 627213365 /nfs/dbraw/zinc/21/33/65/627213365.db2.gz JSHRJEWDCGPJCW-CYBMUJFWSA-N 0 3 273.376 2.973 20 30 CFEDHN C#CCCCN(CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000766912772 627226590 /nfs/dbraw/zinc/22/65/90/627226590.db2.gz JWOYQLDKZOQSBW-HNNXBMFYSA-N 0 3 286.419 2.901 20 30 CFEDHN C#CCN(Cc1ccc(N(C)C)nc1)C1CCCCC1 ZINC000769145262 627406789 /nfs/dbraw/zinc/40/67/89/627406789.db2.gz GWQHUKCDDBLRHB-UHFFFAOYSA-N 0 3 271.408 2.916 20 30 CFEDHN C#CCN(Cc1ccc(N(C)C)nc1)C1CCCC1 ZINC000769528982 627451991 /nfs/dbraw/zinc/45/19/91/627451991.db2.gz AWKBANYYZVDPFC-UHFFFAOYSA-N 0 3 257.381 2.525 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000769828932 627480027 /nfs/dbraw/zinc/48/00/27/627480027.db2.gz LWCNIXJBYJVPEM-JTQLQIEISA-N 0 3 294.330 2.862 20 30 CFEDHN Cc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000769944306 627489397 /nfs/dbraw/zinc/48/93/97/627489397.db2.gz MGGWZWWXZXKYIG-AAEUAGOBSA-N 0 3 259.309 2.685 20 30 CFEDHN C=CC[C@@H]1N(CCS(=O)(=O)C(C)C)CCCC1(C)C ZINC000769952921 627490682 /nfs/dbraw/zinc/49/06/82/627490682.db2.gz GYTNISAAKWHBDQ-AWEZNQCLSA-N 0 3 287.469 2.876 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(Br)cc1 ZINC000769962160 627491490 /nfs/dbraw/zinc/49/14/90/627491490.db2.gz SBYUNPNYNCAPLF-JTQLQIEISA-N 0 3 252.155 2.903 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(Br)cc1 ZINC000769962163 627491553 /nfs/dbraw/zinc/49/15/53/627491553.db2.gz SBYUNPNYNCAPLF-SNVBAGLBSA-N 0 3 252.155 2.903 20 30 CFEDHN C#C[C@H](C)N(C)CCOc1ccc(Br)cc1 ZINC000769977243 627494018 /nfs/dbraw/zinc/49/40/18/627494018.db2.gz BMHTUOCBJRKBCZ-NSHDSACASA-N 0 3 282.181 2.781 20 30 CFEDHN C#C[C@H](C)N(C)CCOc1ccc(F)cc1Cl ZINC000769978076 627494065 /nfs/dbraw/zinc/49/40/65/627494065.db2.gz OUTUNHMHUVFEGG-JTQLQIEISA-N 0 3 255.720 2.811 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000770287462 627511745 /nfs/dbraw/zinc/51/17/45/627511745.db2.gz XLRWUNBMPUIQAB-IRXDYDNUSA-N 0 3 285.387 2.700 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770697821 627543127 /nfs/dbraw/zinc/54/31/27/627543127.db2.gz CSBIGAAROWERJN-OAHLLOKOSA-N 0 3 289.394 2.997 20 30 CFEDHN C#CCSCCN[C@@H](C)c1c(C)onc1CC ZINC000773011795 627768260 /nfs/dbraw/zinc/76/82/60/627768260.db2.gz WRGCTPMESYXYNI-JTQLQIEISA-N 0 3 252.383 2.562 20 30 CFEDHN COC[C@H](CC(C)C)NCc1cc(C#N)ccc1F ZINC000773028807 627772000 /nfs/dbraw/zinc/77/20/00/627772000.db2.gz UYGCTTWMZPPVQW-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN C#Cc1cncc(C(=O)Nc2cc(CN(C)C)ccc2C)c1 ZINC000774022937 627879536 /nfs/dbraw/zinc/87/95/36/627879536.db2.gz GOWXTQQNYDKIAH-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000774541895 627936793 /nfs/dbraw/zinc/93/67/93/627936793.db2.gz LVVNMGIRGZSRIM-UONOGXRCSA-N 0 3 281.469 2.840 20 30 CFEDHN C#CCOCCN(C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000851992882 634618432 /nfs/dbraw/zinc/61/84/32/634618432.db2.gz DEPGJPYKQGGVCF-HNNXBMFYSA-N 0 3 281.783 2.609 20 30 CFEDHN C#C[C@H](NC1CC(c2ccc(F)cc2)C1)[C@H]1CCCO1 ZINC000775572231 628040974 /nfs/dbraw/zinc/04/09/74/628040974.db2.gz PTIQWEPQNCJLRR-MHVXSEJMSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](N[C@H]1CCCc2ccccc21)[C@H]1CCCO1 ZINC000775573576 628041621 /nfs/dbraw/zinc/04/16/21/628041621.db2.gz HUYSBPNGJDVDCD-YESZJQIVSA-N 0 3 255.361 2.834 20 30 CFEDHN C#C[C@@H](NCCSc1ccccc1)[C@H]1CCCO1 ZINC000775799892 628069999 /nfs/dbraw/zinc/06/99/99/628069999.db2.gz NKIASLSVJVGPJU-HUUCEWRRSA-N 0 3 261.390 2.549 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1ccc(Cl)nc1 ZINC000776186913 628113584 /nfs/dbraw/zinc/11/35/84/628113584.db2.gz YMNACOHVTPMFSS-UHFFFAOYSA-N 0 3 275.743 2.642 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1ncccc1Cl ZINC000776186470 628113855 /nfs/dbraw/zinc/11/38/55/628113855.db2.gz SKIAJSYAEIUNTO-UHFFFAOYSA-N 0 3 275.743 2.642 20 30 CFEDHN C=CCNC(=O)CNCc1ccccc1-c1ccccc1 ZINC000776959412 628187904 /nfs/dbraw/zinc/18/79/04/628187904.db2.gz XXGXXQLYYFYARP-UHFFFAOYSA-N 0 3 280.371 2.745 20 30 CFEDHN COc1ccc2nc(N=NC3CN(C)C[C@H]3C)c(C)cc2c1 ZINC000777913970 628264500 /nfs/dbraw/zinc/26/45/00/628264500.db2.gz UNFAPQXLCVRHIA-GFCCVEGCSA-N 0 3 298.390 2.901 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCN1CCCC1 ZINC000778151248 628280590 /nfs/dbraw/zinc/28/05/90/628280590.db2.gz ILWARHXGZUMZMR-UHFFFAOYSA-N 0 3 292.810 2.537 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCCCCCO ZINC000778177458 628284258 /nfs/dbraw/zinc/28/42/58/628284258.db2.gz BSOAYHJIRFBKPF-UHFFFAOYSA-N 0 3 295.810 2.994 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000852096830 634650634 /nfs/dbraw/zinc/65/06/34/634650634.db2.gz GFWMBQGOWIITBP-SQWLQELKSA-N 0 3 264.413 2.558 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)NC1CCCCCCC1 ZINC000852096891 634650642 /nfs/dbraw/zinc/65/06/42/634650642.db2.gz HPZYKEOLMFSXAY-INIZCTEOSA-N 0 3 264.413 2.607 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000852097038 634651003 /nfs/dbraw/zinc/65/10/03/634651003.db2.gz JCFIWONZEXWBPW-MAUKXSAKSA-N 0 3 286.419 2.872 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCSC1 ZINC000810528933 628377377 /nfs/dbraw/zinc/37/73/77/628377377.db2.gz YNBLWVKHRABXGK-STQMWFEESA-N 0 3 296.436 2.535 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(CC)Cc1cccc(F)c1 ZINC000852097566 634651193 /nfs/dbraw/zinc/65/11/93/634651193.db2.gz RFEXILKQSMYUSL-QGZVFWFLSA-N 0 3 290.382 2.566 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000852098520 634651946 /nfs/dbraw/zinc/65/19/46/634651946.db2.gz PCVWEGYCTAEKHB-GDZNZVCISA-N 0 3 290.382 2.783 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000852097974 634652030 /nfs/dbraw/zinc/65/20/30/634652030.db2.gz BJMOARXVOWSGIC-MLGOLLRUSA-N 0 3 292.810 2.909 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(CC)C1CCCCC1 ZINC000852098455 634652043 /nfs/dbraw/zinc/65/20/43/634652043.db2.gz NZBAVCAMBXABLK-MRXNPFEDSA-N 0 3 264.413 2.559 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000852098514 634652131 /nfs/dbraw/zinc/65/21/31/634652131.db2.gz PABXNXHDLZAVAB-RLFYNMQTSA-N 0 3 286.419 2.686 20 30 CFEDHN C#C[C@@](C)(CC)NCc1cnc2c(cnn2C(C)C)c1 ZINC000852099461 634652753 /nfs/dbraw/zinc/65/27/53/634652753.db2.gz MQCSLZPNEAAVIP-INIZCTEOSA-N 0 3 270.380 2.904 20 30 CFEDHN C[C@H]1CN=C(NN=C(CC2CCC2)c2ccccc2)N1 ZINC000779793177 628406560 /nfs/dbraw/zinc/40/65/60/628406560.db2.gz XDSIUXFTXSHGED-LBPRGKRZSA-N 0 3 270.380 2.518 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000852099563 634654176 /nfs/dbraw/zinc/65/41/76/634654176.db2.gz MRBNCYLJGZNJNN-AEFFLSMTSA-N 0 3 284.403 2.572 20 30 CFEDHN C#C[C@@](C)(CC)NCc1cc(=O)oc2cc(C)ccc12 ZINC000852100770 634655279 /nfs/dbraw/zinc/65/52/79/634655279.db2.gz KRLIHQPSMPSJRA-KRWDZBQOSA-N 0 3 269.344 2.993 20 30 CFEDHN CCCCCCCN(C)Cc1cnc(N(C)C)nc1 ZINC000780324672 628454529 /nfs/dbraw/zinc/45/45/29/628454529.db2.gz GVECBLLPIKRDAP-UHFFFAOYSA-N 0 3 264.417 2.945 20 30 CFEDHN C#C[C@@](C)(CC)NC[C@@H](O)c1ccc(F)cc1Cl ZINC000852103733 634658732 /nfs/dbraw/zinc/65/87/32/634658732.db2.gz PUOUASOCDUEAHO-KGLIPLIRSA-N 0 3 269.747 2.904 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000781914196 628590875 /nfs/dbraw/zinc/59/08/75/628590875.db2.gz TUEZUZGYRQZUPV-CHWSQXEVSA-N 0 3 294.420 2.511 20 30 CFEDHN CC1(C(=O)C(C#N)c2nc3ccccc3s2)COC1 ZINC000782577752 628645529 /nfs/dbraw/zinc/64/55/29/628645529.db2.gz QMZMNZXUYGXWRA-VIFPVBQESA-N 0 3 272.329 2.509 20 30 CFEDHN CC(C)CO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000783299534 628698407 /nfs/dbraw/zinc/69/84/07/628698407.db2.gz DJLWUSYUTQCRIC-JKSUJKDBSA-N 0 3 287.407 2.883 20 30 CFEDHN C(=NOCCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000783552068 628719266 /nfs/dbraw/zinc/71/92/66/628719266.db2.gz COAJOFMIODHYAY-UHFFFAOYSA-N 0 3 274.364 2.674 20 30 CFEDHN N#CC1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000787139056 628995690 /nfs/dbraw/zinc/99/56/90/628995690.db2.gz RMAXCBAVRLBGTR-UHFFFAOYSA-N 0 3 251.333 2.970 20 30 CFEDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000787298500 629005284 /nfs/dbraw/zinc/00/52/84/629005284.db2.gz ASYKORHFVBOUSO-RYUDHWBXSA-N 0 3 291.420 2.658 20 30 CFEDHN CCCCCCCCN1CCCN(CC)C(=O)C1 ZINC000787319159 629006806 /nfs/dbraw/zinc/00/68/06/629006806.db2.gz QETSCKAJXOCXEO-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN CCOC1CC(C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000805860585 629050410 /nfs/dbraw/zinc/05/04/10/629050410.db2.gz ICQTUCRUNYIQGP-MCIGGMRASA-N 0 3 284.315 2.819 20 30 CFEDHN C#CCC1(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCCCC1 ZINC000788231392 629052523 /nfs/dbraw/zinc/05/25/23/629052523.db2.gz DJPBLOKVWNWGOF-ZBFHGGJFSA-N 0 3 288.435 2.559 20 30 CFEDHN COc1cc(N=NC2CN(C)C[C@@H]2C)ccc1Cl ZINC000788468965 629072021 /nfs/dbraw/zinc/07/20/21/629072021.db2.gz ZTLFFYWDBNLMPZ-VIFPVBQESA-N 0 3 267.760 2.698 20 30 CFEDHN COc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)ccn1 ZINC000788646205 629089049 /nfs/dbraw/zinc/08/90/49/629089049.db2.gz JYTSHKNGKFXMIJ-CYBMUJFWSA-N 0 3 297.358 2.843 20 30 CFEDHN C#C[C@H](C)OC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000805886668 629148293 /nfs/dbraw/zinc/14/82/93/629148293.db2.gz GBFMJYVSUNRPTD-HNNXBMFYSA-N 0 3 285.387 2.854 20 30 CFEDHN C[C@H](C#N)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000805898845 629172608 /nfs/dbraw/zinc/17/26/08/629172608.db2.gz CKABMNCMFNRWRF-CQSZACIVSA-N 0 3 286.375 2.601 20 30 CFEDHN C[C@@H]1C[C@@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000791573878 629334988 /nfs/dbraw/zinc/33/49/88/629334988.db2.gz JOARRGAGVHBURA-UTUOFQBUSA-N 0 3 299.399 2.955 20 30 CFEDHN C=CCN(C/C=C\c1ccc(N(C)C)cc1)CCOC ZINC000835049297 629348192 /nfs/dbraw/zinc/34/81/92/629348192.db2.gz CSZKRXXYZDNLHN-SREVYHEPSA-N 0 3 274.408 2.900 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CSC(F)F)c1 ZINC000835064934 629366442 /nfs/dbraw/zinc/36/64/42/629366442.db2.gz ZTDCFBLOZHBUFD-SNVBAGLBSA-N 0 3 298.314 2.598 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2nccc3ccccc32)CCCO1 ZINC000792106181 629398237 /nfs/dbraw/zinc/39/82/37/629398237.db2.gz PLAJZUIECNAWLJ-YOEHRIQHSA-N 0 3 280.327 2.980 20 30 CFEDHN CCn1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000792314211 629419843 /nfs/dbraw/zinc/41/98/43/629419843.db2.gz XOYSUCUUBCKKDR-QGZVFWFLSA-N 0 3 283.375 2.545 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OCC2(C#N)CCC2)c1 ZINC000835310638 629614903 /nfs/dbraw/zinc/61/49/03/629614903.db2.gz INGKPPKDLOIVKK-UHFFFAOYSA-N 0 3 272.348 2.599 20 30 CFEDHN C[C@H]1c2ccccc2C[C@H]1NC[C@H](C#N)CCC#N ZINC000852467276 634752586 /nfs/dbraw/zinc/75/25/86/634752586.db2.gz BWAKUKVPVWNMBA-HEHGZKQESA-N 0 3 253.349 2.748 20 30 CFEDHN COCCCNN=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000794542324 629657777 /nfs/dbraw/zinc/65/77/77/629657777.db2.gz DABMXTYTSIRVLN-BFNJABTJSA-N 0 3 287.407 2.910 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)NC(C)(C)C ZINC000795328863 629761671 /nfs/dbraw/zinc/76/16/71/629761671.db2.gz JKBTTWQSJBBJSY-GOEBONIOSA-N 0 3 286.419 2.514 20 30 CFEDHN C=C(CC)CN1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529148 634771829 /nfs/dbraw/zinc/77/18/29/634771829.db2.gz PDQSNDPDOSQONE-UHFFFAOYSA-N 0 3 280.412 2.942 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000796639465 629943647 /nfs/dbraw/zinc/94/36/47/629943647.db2.gz MUYPRZCRZOWZKV-IBGZPJMESA-N 0 3 279.383 2.725 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1occ2c1CCC2 ZINC000796789678 629967589 /nfs/dbraw/zinc/96/75/89/629967589.db2.gz PFLZICVIGVGPBB-CQSZACIVSA-N 0 3 294.310 2.729 20 30 CFEDHN C=CCOCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000797305945 630053563 /nfs/dbraw/zinc/05/35/63/630053563.db2.gz KKVDJVGDYWCWCB-UHFFFAOYSA-N 0 3 289.375 2.642 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@](C)(CNCC(C)(C)C#N)C1 ZINC000798951692 630264297 /nfs/dbraw/zinc/26/42/97/630264297.db2.gz IJPWWNXWVSSIPF-MRXNPFEDSA-N 0 3 295.427 2.773 20 30 CFEDHN COc1ccc(CN2CC[C@H](c3ccccn3)C2)cc1C#N ZINC000798963189 630265825 /nfs/dbraw/zinc/26/58/25/630265825.db2.gz ZIQQOHYPFGOQIG-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN CC(C)CN(CCC#N)CCCC1(C#N)CCOCC1 ZINC000799123902 630278646 /nfs/dbraw/zinc/27/86/46/630278646.db2.gz CBAGZAPGHWBQNT-UHFFFAOYSA-N 0 3 277.412 2.959 20 30 CFEDHN C#CC[C@@H](NC[C@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799314611 630296558 /nfs/dbraw/zinc/29/65/58/630296558.db2.gz MGFMDAIPXVCGSP-WBVHZDCISA-N 0 3 284.334 2.608 20 30 CFEDHN Cc1cc(C)c(NNC2=CC(=O)N3CCCC23)c(C)c1 ZINC000799481215 630312801 /nfs/dbraw/zinc/31/28/01/630312801.db2.gz NMLVRTJAGUGPOB-AWEZNQCLSA-N 0 3 271.364 2.774 20 30 CFEDHN CN1CCN(c2ccc(N[C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000799723133 630339414 /nfs/dbraw/zinc/33/94/14/630339414.db2.gz ZZELSGUAWNUXLG-ZBFHGGJFSA-N 0 3 284.407 2.543 20 30 CFEDHN CN1CCN(c2ccc(N[C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000799723132 630339717 /nfs/dbraw/zinc/33/97/17/630339717.db2.gz ZZELSGUAWNUXLG-HOCLYGCPSA-N 0 3 284.407 2.543 20 30 CFEDHN CCCCCCCN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800459323 630387797 /nfs/dbraw/zinc/38/77/97/630387797.db2.gz BRCICXGZIANWIR-AWEZNQCLSA-N 0 3 275.458 2.856 20 30 CFEDHN C[C@H](C#N)OCCN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000801910676 630485366 /nfs/dbraw/zinc/48/53/66/630485366.db2.gz PIOHWPZKHVNBTK-GHMZBOCLSA-N 0 3 268.307 2.886 20 30 CFEDHN COc1ccc([C@@H]2CCCN2CCO[C@H](C)C#N)cc1 ZINC000801911565 630485464 /nfs/dbraw/zinc/48/54/64/630485464.db2.gz MOGZHXCZRKVIDS-CJNGLKHVSA-N 0 3 274.364 2.761 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(OC2CCCCC2)CC1 ZINC000801914793 630487170 /nfs/dbraw/zinc/48/71/70/630487170.db2.gz GNMZQJXBLDMGCU-CQSZACIVSA-N 0 3 280.412 2.729 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000801918341 630487508 /nfs/dbraw/zinc/48/75/08/630487508.db2.gz JYDPYLWMIXVEOX-JSGCOSHPSA-N 0 3 262.328 2.544 20 30 CFEDHN CC[C@@H](NCCO[C@H](C)C#N)c1ccccc1OC ZINC000801938064 630492277 /nfs/dbraw/zinc/49/22/77/630492277.db2.gz YFDHJRWAGRKDIR-TZMCWYRMSA-N 0 3 262.353 2.665 20 30 CFEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)CCO[C@@H](C)C#N ZINC000801952308 630495421 /nfs/dbraw/zinc/49/54/21/630495421.db2.gz SENSCRAXPGWQQS-WFASDCNBSA-N 0 3 296.798 2.888 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802032202 630498669 /nfs/dbraw/zinc/49/86/69/630498669.db2.gz OJKQHZDMDOPVCK-GUBZILKMSA-N 0 3 289.285 2.651 20 30 CFEDHN C=C(C)CCN1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852738875 634818560 /nfs/dbraw/zinc/81/85/60/634818560.db2.gz BVWATJOULVFWNW-CHWSQXEVSA-N 0 3 286.391 2.890 20 30 CFEDHN C#CCCN(CCOC)Cc1cnc2ccccc2c1 ZINC000852748894 634822947 /nfs/dbraw/zinc/82/29/47/634822947.db2.gz KCOIGZDHNUZNET-UHFFFAOYSA-N 0 3 268.360 2.707 20 30 CFEDHN C#CCCN(CCOC)C[C@H](O)c1cccc2ccccc21 ZINC000852749307 634823004 /nfs/dbraw/zinc/82/30/04/634823004.db2.gz VPMAHJHONKYNAE-IBGZPJMESA-N 0 3 297.398 2.845 20 30 CFEDHN C#CCCN(CCOC)Cc1cc(=O)oc2cc(C)ccc12 ZINC000852751685 634825823 /nfs/dbraw/zinc/82/58/23/634825823.db2.gz DTECKXLJCNUEGB-UHFFFAOYSA-N 0 3 299.370 2.573 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc(OCCC)c1 ZINC000852749472 634823284 /nfs/dbraw/zinc/82/32/84/634823284.db2.gz ZXTWTHHZJCGLTM-UHFFFAOYSA-N 0 3 275.392 2.947 20 30 CFEDHN C=CCc1cc(OCC)cc(CN2CC[C@@H]2COC)c1O ZINC000840084930 630862805 /nfs/dbraw/zinc/86/28/05/630862805.db2.gz YPOMGBQJYKBZCX-OAHLLOKOSA-N 0 3 291.391 2.740 20 30 CFEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCCCCC#N)C1 ZINC000808387766 630985174 /nfs/dbraw/zinc/98/51/74/630985174.db2.gz SXITVDLKINSTNL-MRXNPFEDSA-N 0 3 299.418 2.980 20 30 CFEDHN CC(C)(C)C#CC(=O)NCCCN1CCc2ccccc2C1 ZINC000837335747 631003170 /nfs/dbraw/zinc/00/31/70/631003170.db2.gz NWXJTYBKVXFJMU-UHFFFAOYSA-N 0 3 298.430 2.601 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)C#CC1CC1)c1ccsc1 ZINC000837343234 631007450 /nfs/dbraw/zinc/00/74/50/631007450.db2.gz GSXCVRFDXQDCMV-HNNXBMFYSA-N 0 3 290.432 2.661 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C#CC(C)(C)C ZINC000837513159 631051644 /nfs/dbraw/zinc/05/16/44/631051644.db2.gz ARHJVLORJGHZGJ-HNNXBMFYSA-N 0 3 286.419 2.673 20 30 CFEDHN CC[C@](C)(C#N)C(=O)OCCN(C)Cc1ccccc1 ZINC000837722498 631115643 /nfs/dbraw/zinc/11/56/43/631115643.db2.gz PLVVVVWLAVLDFJ-MRXNPFEDSA-N 0 3 274.364 2.601 20 30 CFEDHN N#Cc1cccc([C@@H]2C[C@H]2C(=O)OCCN2CCCCC2)c1 ZINC000840605226 631169260 /nfs/dbraw/zinc/16/92/60/631169260.db2.gz LPSVOJSZWTZHKU-DLBZAZTESA-N 0 3 298.386 2.691 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(OC)c(C#N)c2)cc1 ZINC000809628347 631250910 /nfs/dbraw/zinc/25/09/10/631250910.db2.gz VDQHLRBFSKBFLF-UHFFFAOYSA-N 0 3 276.339 2.838 20 30 CFEDHN C#C[C@H](NCc1ccnn1-c1ccc(F)cc1)C(C)C ZINC000809685257 631261805 /nfs/dbraw/zinc/26/18/05/631261805.db2.gz JZXVDULEWUNCAD-INIZCTEOSA-N 0 3 271.339 2.759 20 30 CFEDHN C#C[C@@H](NCc1ccnn1-c1ccccc1C)C(C)C ZINC000809684742 631261953 /nfs/dbraw/zinc/26/19/53/631261953.db2.gz LZYMIEHKGFVHNV-MRXNPFEDSA-N 0 3 267.376 2.928 20 30 CFEDHN CC(NNc1cc(Cl)nc(C)n1)=C1CC1(F)F ZINC000841626103 631436264 /nfs/dbraw/zinc/43/62/64/631436264.db2.gz NUHDQBRGGYLZNB-SSDOTTSWSA-N 0 3 260.675 2.881 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](CC(C)C)OC ZINC000841888398 631487803 /nfs/dbraw/zinc/48/78/03/631487803.db2.gz IQOZVLMBMMLUDV-MRXNPFEDSA-N 0 3 275.392 2.849 20 30 CFEDHN C[C@H]1C[C@@H](NCC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000841898312 631490076 /nfs/dbraw/zinc/49/00/76/631490076.db2.gz MQLWYOGKKNDXME-DOTOQJQBSA-N 0 3 283.419 2.933 20 30 CFEDHN Cc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc(N)n1 ZINC000842050826 631514462 /nfs/dbraw/zinc/51/44/62/631514462.db2.gz YGLRBGQDJAPZSC-AWEZNQCLSA-N 0 3 279.347 2.728 20 30 CFEDHN CC(C)CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccncc1 ZINC000842527957 631652813 /nfs/dbraw/zinc/65/28/13/631652813.db2.gz FWNBDFQLQVXGFM-GJZGRUSLSA-N 0 3 299.422 2.692 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NNC23CC(C2)C3)cc1 ZINC000842543872 631659909 /nfs/dbraw/zinc/65/99/09/631659909.db2.gz MTKSCTZIJABNRH-LBLZXBBTSA-N 0 3 255.365 2.894 20 30 CFEDHN CCOC(=O)c1ccc(N=NC2C[C@@H](C)N(C)C2)cc1C ZINC000812230011 631671307 /nfs/dbraw/zinc/67/13/07/631671307.db2.gz RVTVGOIPWQVRKP-GFCCVEGCSA-N 0 3 289.379 2.664 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc(F)cc1F)C1CCCC1 ZINC000155795569 650032430 /nfs/dbraw/zinc/03/24/30/650032430.db2.gz GHISCIOUAHXXOO-MRXNPFEDSA-N 0 3 279.330 2.876 20 30 CFEDHN C#CCN(Cc1ccc(C(=O)OC)c(F)c1)C1CCCC1 ZINC000155883543 650035421 /nfs/dbraw/zinc/03/54/21/650035421.db2.gz XDDIXFDDRWFLLO-UHFFFAOYSA-N 0 3 289.350 2.990 20 30 CFEDHN C#CC1CCN(Cc2cn(C)nc2-c2cccs2)CC1 ZINC000843426812 631954507 /nfs/dbraw/zinc/95/45/07/631954507.db2.gz KXOYXAAMLXLQEI-UHFFFAOYSA-N 0 3 285.416 2.994 20 30 CFEDHN C#CC1CCN(Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000843429130 631956624 /nfs/dbraw/zinc/95/66/24/631956624.db2.gz WBHKXURIPQXGNV-CYBMUJFWSA-N 0 3 285.387 2.864 20 30 CFEDHN C#CC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000843429171 631956669 /nfs/dbraw/zinc/95/66/69/631956669.db2.gz WLGOUFVWMJFJGS-UHFFFAOYSA-N 0 3 289.375 2.558 20 30 CFEDHN C#C[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C(C)(C)C ZINC000813776451 631958703 /nfs/dbraw/zinc/95/87/03/631958703.db2.gz FMLVAFKGCQJACP-HOTGVXAUSA-N 0 3 290.451 2.948 20 30 CFEDHN C#CCSCCNCc1cnn(-c2ccccc2C)c1 ZINC000842682595 632015549 /nfs/dbraw/zinc/01/55/49/632015549.db2.gz FYTGZRAOEHWBDJ-UHFFFAOYSA-N 0 3 285.416 2.637 20 30 CFEDHN C#CC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000843708400 632035810 /nfs/dbraw/zinc/03/58/10/632035810.db2.gz ZPCAXGPHEZTFMQ-GOSISDBHSA-N 0 3 296.414 2.523 20 30 CFEDHN C#CC[C@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC000844002396 632092693 /nfs/dbraw/zinc/09/26/93/632092693.db2.gz WISRFBPZGZGJLH-INIZCTEOSA-N 0 3 278.440 2.760 20 30 CFEDHN C#CC[C@@H]1CCCN(C(=O)CN(C)CCCCCC)C1 ZINC000844002397 632092985 /nfs/dbraw/zinc/09/29/85/632092985.db2.gz WISRFBPZGZGJLH-MRXNPFEDSA-N 0 3 278.440 2.760 20 30 CFEDHN c1cc2c3c(c1)C(=NNCCN1CCCCC1)CC[C@@H]3CN2 ZINC000814809029 632129532 /nfs/dbraw/zinc/12/95/32/632129532.db2.gz XHVHGJSCUSMACV-CQSZACIVSA-N 0 3 298.434 2.769 20 30 CFEDHN CCC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(N)c1 ZINC000814908218 632160103 /nfs/dbraw/zinc/16/01/03/632160103.db2.gz KNYDNSNKABEVMS-CQSZACIVSA-N 0 3 275.396 2.930 20 30 CFEDHN C#CCOCCN(C)Cc1cccc(OC(F)(F)F)c1 ZINC000844312897 632165532 /nfs/dbraw/zinc/16/55/32/632165532.db2.gz IMOVDWHYPYTHMI-UHFFFAOYSA-N 0 3 287.281 2.667 20 30 CFEDHN CCCN(CCC)c1ccc(C=NNC[C@@H](C)O)cc1 ZINC000814964742 632181426 /nfs/dbraw/zinc/18/14/26/632181426.db2.gz DGUBMIALMNUQLF-CQSZACIVSA-N 0 3 277.412 2.617 20 30 CFEDHN COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000815010220 632187026 /nfs/dbraw/zinc/18/70/26/632187026.db2.gz PXHQJIUOSUSLNV-DGCLKSJQSA-N 0 3 262.328 2.958 20 30 CFEDHN C#CCNC(=O)CCN(CCCC)Cc1ccccc1F ZINC000815030182 632189418 /nfs/dbraw/zinc/18/94/18/632189418.db2.gz XFGNFVVGCFVVNI-UHFFFAOYSA-N 0 3 290.382 2.567 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815116798 632204892 /nfs/dbraw/zinc/20/48/92/632204892.db2.gz FHAXOHAIVOAQME-IBGZPJMESA-N 0 3 297.373 2.865 20 30 CFEDHN COc1ccc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1C#N ZINC000815147855 632217384 /nfs/dbraw/zinc/21/73/84/632217384.db2.gz HFRRZGXXENBYNW-NSHDSACASA-N 0 3 283.331 2.518 20 30 CFEDHN C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccccc2C#N)[C@@H](C)CN1C ZINC000844647598 632273811 /nfs/dbraw/zinc/27/38/11/632273811.db2.gz ZJYXRKLBUHTNAS-BNWICZARSA-N 0 3 297.402 2.511 20 30 CFEDHN C#Cc1ccccc1CC(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845727770 632535467 /nfs/dbraw/zinc/53/54/67/632535467.db2.gz DFWFZCVFEHKZDE-MRXNPFEDSA-N 0 3 285.387 2.626 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(C#N)cc1 ZINC000845741709 632546968 /nfs/dbraw/zinc/54/69/68/632546968.db2.gz WXRADHLOPLGVML-CQSZACIVSA-N 0 3 272.348 2.588 20 30 CFEDHN Nc1ccc2c(c1)C(=NN[C@@H]1CCSC1)CCCC2 ZINC000817329730 632604182 /nfs/dbraw/zinc/60/41/82/632604182.db2.gz ZXYFYHUYLOSBFV-CYBMUJFWSA-N 0 3 275.421 2.794 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CC12CC2 ZINC000817714826 632690375 /nfs/dbraw/zinc/69/03/75/632690375.db2.gz XLQIHQGAELUIAV-QWRGUYRKSA-N 0 3 265.316 2.550 20 30 CFEDHN CN(C(=O)[C@H](N)CCCC#N)c1ccc2ccccc2c1 ZINC000818047112 632792197 /nfs/dbraw/zinc/79/21/97/632792197.db2.gz KKJGVTNLZXWVQA-MRXNPFEDSA-N 0 3 281.359 2.824 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](N)CCCC#N ZINC000818094884 632800788 /nfs/dbraw/zinc/80/07/88/632800788.db2.gz ZDJFPSGQKGKHBA-RBSFLKMASA-N 0 3 293.455 2.976 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000818118679 632803621 /nfs/dbraw/zinc/80/36/21/632803621.db2.gz UNAFOQOZDIYGKL-DLBZAZTESA-N 0 3 298.430 2.610 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCCCCC)nn1 ZINC000818347744 632836021 /nfs/dbraw/zinc/83/60/21/632836021.db2.gz VBAHOQGWAJJDTD-CYBMUJFWSA-N 0 3 250.390 2.913 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)CCCCCC)nn1 ZINC000818347745 632836582 /nfs/dbraw/zinc/83/65/82/632836582.db2.gz VBAHOQGWAJJDTD-ZDUSSCGKSA-N 0 3 250.390 2.913 20 30 CFEDHN CCc1ccc(C#CC(=O)N2CCCN(C)C[C@H]2CC)cc1 ZINC000846989813 632870344 /nfs/dbraw/zinc/87/03/44/632870344.db2.gz VTMREJAFKFQJPA-GOSISDBHSA-N 0 3 298.430 2.543 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc(C(C)(C)C)s1 ZINC000818606255 632877396 /nfs/dbraw/zinc/87/73/96/632877396.db2.gz HKPZQJKJTSYUND-UHFFFAOYSA-N 0 3 292.448 2.731 20 30 CFEDHN C#C[C@H]1CCCN(CCC(=O)c2ccc(OC)cc2)C1 ZINC000847020129 632884112 /nfs/dbraw/zinc/88/41/12/632884112.db2.gz WDEGOHHWBHYJAN-AWEZNQCLSA-N 0 3 271.360 2.613 20 30 CFEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000847028596 632892579 /nfs/dbraw/zinc/89/25/79/632892579.db2.gz JHHFQMAVPZKMNA-XUWVNRHRSA-N 0 3 276.424 2.510 20 30 CFEDHN N#Cc1csc(CNCC[C@H]2CC2(Cl)Cl)n1 ZINC000856804864 635865779 /nfs/dbraw/zinc/86/57/79/635865779.db2.gz GPCKHPFJVFNQMZ-ZETCQYMHSA-N 0 3 276.192 2.688 20 30 CFEDHN Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1C#N ZINC000847254377 632962702 /nfs/dbraw/zinc/96/27/02/632962702.db2.gz FHUYCKUZZGBGIR-IRXDYDNUSA-N 0 3 297.402 2.613 20 30 CFEDHN Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1C#N ZINC000847254376 632963182 /nfs/dbraw/zinc/96/31/82/632963182.db2.gz FHUYCKUZZGBGIR-IAGOWNOFSA-N 0 3 297.402 2.613 20 30 CFEDHN Cc1ccc2c(c1)[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)CO2 ZINC000819165318 632993487 /nfs/dbraw/zinc/99/34/87/632993487.db2.gz UFMYLFCPBWHLTD-DLBZAZTESA-N 0 3 294.354 2.623 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCCC#N ZINC000847620067 633010339 /nfs/dbraw/zinc/01/03/39/633010339.db2.gz QSFWGURVZCRBEK-GFCCVEGCSA-N 0 3 280.331 2.834 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1c(F)cccc1F ZINC000848396880 633247964 /nfs/dbraw/zinc/24/79/64/633247964.db2.gz WWLWGIFUYWWPDZ-MFKMUULPSA-N 0 3 295.333 2.553 20 30 CFEDHN C[C@@H](NC(=O)[C@H](N)CCCCC#N)c1c(F)cccc1F ZINC000848396881 633248290 /nfs/dbraw/zinc/24/82/90/633248290.db2.gz WWLWGIFUYWWPDZ-ZWNOBZJWSA-N 0 3 295.333 2.553 20 30 CFEDHN CC(C)(C#N)c1ccc(CNCC2(C)OCCCO2)cc1 ZINC000848547793 633286183 /nfs/dbraw/zinc/28/61/83/633286183.db2.gz BTZLBCPWKHFVIZ-UHFFFAOYSA-N 0 3 288.391 2.730 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000848923062 633404959 /nfs/dbraw/zinc/40/49/59/633404959.db2.gz DQQAABUPFDLIBP-CYBMUJFWSA-N 0 3 259.349 2.549 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cn(C)nc2-c2cccs2)C1 ZINC000848923558 633405948 /nfs/dbraw/zinc/40/59/48/633405948.db2.gz GNMRBBQTZMTGEI-CYBMUJFWSA-N 0 3 285.416 2.994 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000848924080 633406329 /nfs/dbraw/zinc/40/63/29/633406329.db2.gz NDGDRDVBAQEXBO-MRXNPFEDSA-N 0 3 294.402 2.729 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)n1cc([C@H](C)N)nn1 ZINC000849150540 633568770 /nfs/dbraw/zinc/56/87/70/633568770.db2.gz OLLKJJHDZSVLNB-GXTWGEPZSA-N 0 3 256.353 2.658 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1nn(CC)nc1C ZINC000850343005 633947095 /nfs/dbraw/zinc/94/70/95/633947095.db2.gz XRBCLOPACCQHTL-KBPBESRZSA-N 0 3 262.401 2.831 20 30 CFEDHN N#CC(C(=O)CCCF)C(=O)Nc1ccc(Cl)cc1 ZINC000850756167 634080424 /nfs/dbraw/zinc/08/04/24/634080424.db2.gz NFRFMLYQTKWTFH-LLVKDONJSA-N 0 3 282.702 2.737 20 30 CFEDHN C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000109768870 634233811 /nfs/dbraw/zinc/23/38/11/634233811.db2.gz GXVNXUJFKUMXRG-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000109768870 634233816 /nfs/dbraw/zinc/23/38/16/634233816.db2.gz GXVNXUJFKUMXRG-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)C1CCSCC1 ZINC000853284001 634958269 /nfs/dbraw/zinc/95/82/69/634958269.db2.gz LQTLBRYVLKKKDJ-UHFFFAOYSA-N 0 3 272.377 2.922 20 30 CFEDHN CCC(CC)NN=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853308552 634964783 /nfs/dbraw/zinc/96/47/83/634964783.db2.gz NLINNRQDUKEGAT-UHFFFAOYSA-N 0 3 289.423 2.760 20 30 CFEDHN C#CC1CCN(Cc2ccc(C(C)C)cc(=O)c2O)CC1 ZINC000853517982 635026392 /nfs/dbraw/zinc/02/63/92/635026392.db2.gz APYNDOOBRHGGTA-UHFFFAOYSA-N 0 3 285.387 2.721 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000853536387 635030557 /nfs/dbraw/zinc/03/05/57/635030557.db2.gz BOHMTCFRBURPTB-CYBMUJFWSA-N 0 3 264.413 2.879 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C[C@@H](CCC)CC2=O)C1 ZINC000853536464 635031090 /nfs/dbraw/zinc/03/10/90/635031090.db2.gz CSECWNCZYMHLGO-CABCVRRESA-N 0 3 264.413 2.881 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000853537185 635031786 /nfs/dbraw/zinc/03/17/86/635031786.db2.gz QSQSBPGNZLBFMQ-HIFRSBDPSA-N 0 3 276.424 2.879 20 30 CFEDHN C=CCCc1noc(C[C@@H]2NCc3ccccc32)n1 ZINC000854159588 635235249 /nfs/dbraw/zinc/23/52/49/635235249.db2.gz GZJCAKNZOQAKIO-ZDUSSCGKSA-N 0 3 255.321 2.575 20 30 CFEDHN C[C@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000112149114 635286292 /nfs/dbraw/zinc/28/62/92/635286292.db2.gz BYFZOYXEJZJNHR-CZUORRHYSA-N 0 3 298.386 2.633 20 30 CFEDHN C#CCOc1ccc(CNCc2cccc(OC)c2)cc1 ZINC000113314348 635531766 /nfs/dbraw/zinc/53/17/66/635531766.db2.gz RQOURYVIIGMLTE-UHFFFAOYSA-N 0 3 281.355 2.997 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CSCCS2)c1 ZINC000857760954 636023307 /nfs/dbraw/zinc/02/33/07/636023307.db2.gz CCPRRTOVHPTCTN-LLVKDONJSA-N 0 3 299.852 2.545 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCc3cn[nH]c32)c1 ZINC000857857344 636036160 /nfs/dbraw/zinc/03/61/60/636036160.db2.gz BVMSDBNTRLBCSS-CQSZACIVSA-N 0 3 270.311 2.588 20 30 CFEDHN N#CC1(CN[C@H]2CCCc3cn[nH]c32)CCCCC1 ZINC000857869856 636042684 /nfs/dbraw/zinc/04/26/84/636042684.db2.gz AMENKALNPLTEGF-ZDUSSCGKSA-N 0 3 258.369 2.851 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN(CCC(C)(C)C#N)C2)nc1 ZINC000858040942 636117527 /nfs/dbraw/zinc/11/75/27/636117527.db2.gz GXDFLXCVBPDPES-CQSZACIVSA-N 0 3 273.380 2.783 20 30 CFEDHN C#CC[C@@H](COC)NCc1cc(C)cc(Br)c1 ZINC000858335249 636195383 /nfs/dbraw/zinc/19/53/83/636195383.db2.gz QUFFGTMLUNEBCU-AWEZNQCLSA-N 0 3 296.208 2.885 20 30 CFEDHN C#CC[C@@H](COC)NCc1cc2ccccc2cc1OC ZINC000858335356 636195829 /nfs/dbraw/zinc/19/58/29/636195829.db2.gz XWLUSFTVPAGBLK-KRWDZBQOSA-N 0 3 283.371 2.976 20 30 CFEDHN C#CC[C@H](COC)Nc1ccnc2cc(OC)ccc21 ZINC000858861200 636362744 /nfs/dbraw/zinc/36/27/44/636362744.db2.gz ZJPUSXZXSOGBQD-GFCCVEGCSA-N 0 3 270.332 2.694 20 30 CFEDHN C#CCCOC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000858879378 636367441 /nfs/dbraw/zinc/36/74/41/636367441.db2.gz AIWHNVDFKMCYSL-ZDUSSCGKSA-N 0 3 292.404 2.635 20 30 CFEDHN C#CCN(CCCCC(=O)OC)Cc1ccc(F)cc1 ZINC000859093151 636450952 /nfs/dbraw/zinc/45/09/52/636450952.db2.gz KJAAZFZDNNRJAJ-UHFFFAOYSA-N 0 3 277.339 2.604 20 30 CFEDHN C#CCCOC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000859148473 636474459 /nfs/dbraw/zinc/47/44/59/636474459.db2.gz JBZCTUKYUHMTBR-CQSZACIVSA-N 0 3 294.782 2.692 20 30 CFEDHN C#CCCCN1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000859381721 636548214 /nfs/dbraw/zinc/54/82/14/636548214.db2.gz VIERQFOQEFYOAY-OAHLLOKOSA-N 0 3 251.370 2.596 20 30 CFEDHN Cc1ccc(COC(=O)C2CCN(C3CC3)CC2)cc1C#N ZINC000859682498 636650986 /nfs/dbraw/zinc/65/09/86/636650986.db2.gz GOEQILQXSHNZGP-UHFFFAOYSA-N 0 3 298.386 2.784 20 30 CFEDHN C=CCN(C(=O)Nc1ccc2c(c1)OCCNC2)C(C)C ZINC000859758265 636681964 /nfs/dbraw/zinc/68/19/64/636681964.db2.gz XAYZOCQXCFMYLB-UHFFFAOYSA-N 0 3 289.379 2.597 20 30 CFEDHN C=CCCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117094086 636754373 /nfs/dbraw/zinc/75/43/73/636754373.db2.gz DRNSIZHLUBWCHN-OAHLLOKOSA-N 0 3 259.349 2.770 20 30 CFEDHN C[C@H](NCCOc1ccccc1C#N)c1ccns1 ZINC000860053778 636770727 /nfs/dbraw/zinc/77/07/27/636770727.db2.gz YQHSYVYXLDGRFJ-NSHDSACASA-N 0 3 273.361 2.744 20 30 CFEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccc1)C(F)(F)F ZINC000860468046 636892644 /nfs/dbraw/zinc/89/26/44/636892644.db2.gz HYILLQCJEODFBC-KOLCDFICSA-N 0 3 298.264 2.922 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C23CC(C2)C3)cc1 ZINC000860469877 636892813 /nfs/dbraw/zinc/89/28/13/636892813.db2.gz LRXSJIIWCIIOSF-TVIZTDCDSA-N 0 3 282.343 2.696 20 30 CFEDHN Cc1ccc(CO[C@@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000860656316 636939402 /nfs/dbraw/zinc/93/94/02/636939402.db2.gz IAZAFFBFOBFDIY-DZGCQCFKSA-N 0 3 295.342 2.567 20 30 CFEDHN C=CCC1(C(=O)OC[C@@]2(C)C[C@@H](OC)CN2C)CCCC1 ZINC000861353747 637172559 /nfs/dbraw/zinc/17/25/59/637172559.db2.gz PYSMFCIZLBGKBK-GDBMZVCRSA-N 0 3 295.423 2.775 20 30 CFEDHN C#C[C@@H](NCc1c(C)[nH]c(C(=O)OCC)c1C)C(C)C ZINC000862363795 637336739 /nfs/dbraw/zinc/33/67/39/637336739.db2.gz VAZXDSSUARQXID-CQSZACIVSA-N 0 3 276.380 2.556 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000862442771 637381774 /nfs/dbraw/zinc/38/17/74/637381774.db2.gz HNMCQNIYGKTHIB-CYBMUJFWSA-N 0 3 289.375 2.558 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000862447055 637386861 /nfs/dbraw/zinc/38/68/61/637386861.db2.gz HOFZLORTKHRUOV-LBPRGKRZSA-N 0 3 291.778 2.972 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000862546073 637418364 /nfs/dbraw/zinc/41/83/64/637418364.db2.gz GUANHXSJRDSYOA-XJKSGUPXSA-N 0 3 282.403 2.624 20 30 CFEDHN CC[C@@H](C#N)Oc1cccc(CNCc2cccn2C)c1 ZINC000119267599 637552746 /nfs/dbraw/zinc/55/27/46/637552746.db2.gz NCXSDYYGHFXVFY-INIZCTEOSA-N 0 3 283.375 2.996 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NNCC(C)(C)O ZINC000863140215 637569165 /nfs/dbraw/zinc/56/91/65/637569165.db2.gz FLOZPCIHNBCXMP-BZPDJMBLSA-N 0 3 287.407 2.644 20 30 CFEDHN Cc1cc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)ccn1 ZINC000863158453 637572543 /nfs/dbraw/zinc/57/25/43/637572543.db2.gz CAGZQDGTYXYDPE-HZMBPMFUSA-N 0 3 255.321 2.974 20 30 CFEDHN CCN1CCC[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865404163 638313676 /nfs/dbraw/zinc/31/36/76/638313676.db2.gz DTOXQCGIDRADMH-LLVKDONJSA-N 0 3 292.314 2.502 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(F)c1OC(F)(F)F ZINC000865528222 638398218 /nfs/dbraw/zinc/39/82/18/638398218.db2.gz WJJBICKXMSIEHW-JTQLQIEISA-N 0 3 293.260 2.751 20 30 CFEDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1C#N ZINC000865699306 638523472 /nfs/dbraw/zinc/52/34/72/638523472.db2.gz PBEMYZIHSSFSAI-UONOGXRCSA-N 0 3 262.328 2.937 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@H](NCc1cccnc1Cl)C2 ZINC000865849278 638612395 /nfs/dbraw/zinc/61/23/95/638612395.db2.gz SLDQCWKQWMPFFY-OAHLLOKOSA-N 0 3 283.762 2.864 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2Cc3ccc(C#N)cc3C2)c2nccn21 ZINC000866616257 638855131 /nfs/dbraw/zinc/85/51/31/638855131.db2.gz MSGLYMVYULJKGO-LYRGGWFBSA-N 0 3 278.359 2.518 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000121862379 638900241 /nfs/dbraw/zinc/90/02/41/638900241.db2.gz CWJYGKIGJXXJND-MNOVXSKESA-N 0 3 299.355 2.594 20 30 CFEDHN C#CCCCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000191416078 650498708 /nfs/dbraw/zinc/49/87/08/650498708.db2.gz ZTBCNKVWRSBLOR-KRWDZBQOSA-N 0 3 285.387 2.998 20 30 CFEDHN C#CCN(C[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000079997263 650635048 /nfs/dbraw/zinc/63/50/48/650635048.db2.gz JOTFNZQBLYLBQH-NVXWUHKLSA-N 0 3 255.361 2.788 20 30 CFEDHN CCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000123545984 641262495 /nfs/dbraw/zinc/26/24/95/641262495.db2.gz AKJGZQIVBNYZON-OAHLLOKOSA-N 0 3 287.407 2.972 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cccs1 ZINC000193364345 650646916 /nfs/dbraw/zinc/64/69/16/650646916.db2.gz PGNKHYPYCUUTRY-CYBMUJFWSA-N 0 3 292.404 2.696 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccoc2)cc1 ZINC000123618088 641315603 /nfs/dbraw/zinc/31/56/03/641315603.db2.gz LGCVKWIQNSIYSP-HNNXBMFYSA-N 0 3 296.326 2.732 20 30 CFEDHN N#Cc1ccc([C@@H](NCC2CCC3(CC3)CC2)C(N)=O)cc1 ZINC000871916864 641510844 /nfs/dbraw/zinc/51/08/44/641510844.db2.gz XDDLISRRSSITJT-MRXNPFEDSA-N 0 3 297.402 2.645 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062580 641594712 /nfs/dbraw/zinc/59/47/12/641594712.db2.gz NIVQJADHGXUUHI-QWRGUYRKSA-N 0 3 296.392 2.904 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(O)ccc1F ZINC000872078068 641609851 /nfs/dbraw/zinc/60/98/51/641609851.db2.gz OTOFHPWZHKHHTE-MNOVXSKESA-N 0 3 253.317 2.509 20 30 CFEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)c1ccccn1 ZINC000123954543 641628434 /nfs/dbraw/zinc/62/84/34/641628434.db2.gz QWAVHGVVXDVUAW-LBPRGKRZSA-N 0 3 296.330 2.541 20 30 CFEDHN C#C[C@H]1CC[C@H]([NH2+][C@H](c2cccs2)c2nnc[n-]2)CC1 ZINC000872139144 641667017 /nfs/dbraw/zinc/66/70/17/641667017.db2.gz GUYZUNJZEKCHEX-YRGRVCCFSA-N 0 3 286.404 2.737 20 30 CFEDHN CN1CCN(CC(C)(C)CCC#N)Cc2cccnc21 ZINC000872265676 641726084 /nfs/dbraw/zinc/72/60/84/641726084.db2.gz VDVDXZTWIZZINJ-UHFFFAOYSA-N 0 3 272.396 2.663 20 30 CFEDHN CCCc1ccc(C[C@@H](C)C=Nn2cnnc2)cc1 ZINC000872324024 641756368 /nfs/dbraw/zinc/75/63/68/641756368.db2.gz IQFHMGMCDDDLCK-CYBMUJFWSA-N 0 3 256.353 2.943 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@H]1CCSC1 ZINC000873147744 642030715 /nfs/dbraw/zinc/03/07/15/642030715.db2.gz YRERAMSOVQRBCL-NSHDSACASA-N 0 3 264.369 2.930 20 30 CFEDHN C=CC(C)(C)CCCNCc1cn(C[C@H]2CCCO2)nn1 ZINC000873151189 642032602 /nfs/dbraw/zinc/03/26/02/642032602.db2.gz CITBDLANFSVNCY-OAHLLOKOSA-N 0 3 292.427 2.539 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cccc(Cl)n1 ZINC000194696571 650724605 /nfs/dbraw/zinc/72/46/05/650724605.db2.gz XIRCAPQLEDBWNF-LLVKDONJSA-N 0 3 299.717 2.696 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cscc2Cl)CC1 ZINC000874812862 642501735 /nfs/dbraw/zinc/50/17/35/642501735.db2.gz YAZYLAWSZPCTAG-UHFFFAOYSA-N 0 3 282.796 2.685 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)CCCCC1 ZINC000874830788 642514421 /nfs/dbraw/zinc/51/44/21/642514421.db2.gz UENBOGJHJWBDLU-HZPDHXFCSA-N 0 3 288.435 2.655 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000876544326 642913434 /nfs/dbraw/zinc/91/34/34/642913434.db2.gz RLBALWVHCGILAW-OEXLFXSVSA-N 0 3 282.815 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1c(C)cccc1C ZINC000876550205 642918469 /nfs/dbraw/zinc/91/84/69/642918469.db2.gz SLIHUCBDAAGBME-NSHDSACASA-N 0 3 252.745 2.712 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccccc1Cl ZINC000876555205 642919140 /nfs/dbraw/zinc/91/91/40/642919140.db2.gz PWALRSAFIIYCLB-LBPRGKRZSA-N 0 3 287.190 2.768 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000876564777 642925488 /nfs/dbraw/zinc/92/54/88/642925488.db2.gz CZUOYZDVVKHLSM-KBPBESRZSA-N 0 3 280.799 2.970 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000876566890 642925963 /nfs/dbraw/zinc/92/59/63/642925963.db2.gz WLQGATMVPFUEMZ-CQSZACIVSA-N 0 3 296.773 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000876570677 642928502 /nfs/dbraw/zinc/92/85/02/642928502.db2.gz LCZZQAGPAMHQMS-ZIAGYGMSSA-N 0 3 278.783 2.820 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000876572355 642929254 /nfs/dbraw/zinc/92/92/54/642929254.db2.gz LEJGBQKRBRVBQH-CABCVRRESA-N 0 3 292.810 2.690 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000876579382 642932337 /nfs/dbraw/zinc/93/23/37/642932337.db2.gz QNIMNXMCZFTLFO-LLVKDONJSA-N 0 3 291.153 2.565 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(F)c1C ZINC000876580986 642933129 /nfs/dbraw/zinc/93/31/29/642933129.db2.gz WDWNJEAURIIBBI-SNVBAGLBSA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1c(C)cc(C)cc1C ZINC000876586174 642935206 /nfs/dbraw/zinc/93/52/06/642935206.db2.gz GNAZMWOYTUNTLG-AWEZNQCLSA-N 0 3 280.799 2.698 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(Cc1cccs1)C(C)C ZINC000876594734 642937795 /nfs/dbraw/zinc/93/77/95/642937795.db2.gz QCUATELYWDHFOK-GFCCVEGCSA-N 0 3 286.828 2.955 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)CC(CC)CC ZINC000876596625 642939090 /nfs/dbraw/zinc/93/90/90/642939090.db2.gz DENYTSYAQZGCKV-GFCCVEGCSA-N 0 3 260.809 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000876597810 642939807 /nfs/dbraw/zinc/93/98/07/642939807.db2.gz UEBKFBGPQXZJNK-DZGCQCFKSA-N 0 3 292.810 2.693 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000876603564 642942018 /nfs/dbraw/zinc/94/20/18/642942018.db2.gz WULDUZHZCLUDTL-PYJNHQTQSA-N 0 3 284.831 2.884 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)CCC1CCCCC1 ZINC000876636851 642952507 /nfs/dbraw/zinc/95/25/07/642952507.db2.gz MCTXJWWZDMTKSQ-ZDUSSCGKSA-N 0 3 272.820 2.885 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CSC)cc1 ZINC000876641822 642955732 /nfs/dbraw/zinc/95/57/32/642955732.db2.gz UYAQCEFWEWAOQL-LBPRGKRZSA-N 0 3 284.812 2.958 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC)Cc1ccccc1 ZINC000876643829 642956156 /nfs/dbraw/zinc/95/61/56/642956156.db2.gz OBPIXNQUMITDTH-CABCVRRESA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000876649778 642958370 /nfs/dbraw/zinc/95/83/70/642958370.db2.gz FNLAHPFQAVLCSB-KBPBESRZSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c(Cl)cccc2C1 ZINC000876653466 642960129 /nfs/dbraw/zinc/96/01/29/642960129.db2.gz QUKOHBKFGNEBIJ-ZDUSSCGKSA-N 0 3 299.201 2.695 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000876663485 642962507 /nfs/dbraw/zinc/96/25/07/642962507.db2.gz WFCSADBOMRLHIV-BIGNPOOSSA-N 0 3 278.783 2.506 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000876668559 642965533 /nfs/dbraw/zinc/96/55/33/642965533.db2.gz XSCRWNLLIPVPLZ-TZMCWYRMSA-N 0 3 280.799 2.951 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000876673551 642967110 /nfs/dbraw/zinc/96/71/10/642967110.db2.gz YSHFEQRUGHPVDV-LLVKDONJSA-N 0 3 296.802 2.866 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000876672919 642967541 /nfs/dbraw/zinc/96/75/41/642967541.db2.gz SDSIPSVEYZZKGK-ZFWWWQNUSA-N 0 3 294.826 2.854 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ncc(C(C)C)s1 ZINC000876679540 642969805 /nfs/dbraw/zinc/96/98/05/642969805.db2.gz GHMSPRHNVMNHNV-QMMMGPOBSA-N 0 3 273.789 2.675 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](CC)Cc1ccccc1 ZINC000876683586 642971904 /nfs/dbraw/zinc/97/19/04/642971904.db2.gz VRMNCDJWPUPWNS-CABCVRRESA-N 0 3 294.826 2.936 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(CC(C)C)CC1 ZINC000876704533 642979878 /nfs/dbraw/zinc/97/98/78/642979878.db2.gz BFQUSWFNGWAFBW-ZDUSSCGKSA-N 0 3 272.820 2.741 20 30 CFEDHN CC(C)[C@@H]1CCN1Cc1cc(C#N)ccc1N(C)C ZINC000876879163 643047718 /nfs/dbraw/zinc/04/77/18/643047718.db2.gz OGJSTMUGTUQBBP-HNNXBMFYSA-N 0 3 257.381 2.855 20 30 CFEDHN CC(C)OCCCNCc1cc(C#N)cnc1Cl ZINC000876892129 643054856 /nfs/dbraw/zinc/05/48/56/643054856.db2.gz IAYCGYPYWIZIHH-UHFFFAOYSA-N 0 3 267.760 2.511 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(F)c1F ZINC000876902659 643057630 /nfs/dbraw/zinc/05/76/30/643057630.db2.gz PNNXOIMXAAJQOR-KCJUWKMLSA-N 0 3 288.725 2.612 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000876909422 643061317 /nfs/dbraw/zinc/06/13/17/643061317.db2.gz YIHJLUSYNLUBJZ-DTWKUNHWSA-N 0 3 298.736 2.646 20 30 CFEDHN CCOCCCCNCc1cc(C#N)cnc1Cl ZINC000876946761 643075188 /nfs/dbraw/zinc/07/51/88/643075188.db2.gz QQAHFWHFPAYOIV-UHFFFAOYSA-N 0 3 267.760 2.513 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(Cl)nc1 ZINC000876948642 643076231 /nfs/dbraw/zinc/07/62/31/643076231.db2.gz URZRXPNSDFZEGK-LBPRGKRZSA-N 0 3 293.798 2.924 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cc(C)c(C)cc1OC ZINC000876961293 643083711 /nfs/dbraw/zinc/08/37/11/643083711.db2.gz DDOZSLDECKDCFM-NSHDSACASA-N 0 3 282.771 2.720 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000876966931 643086213 /nfs/dbraw/zinc/08/62/13/643086213.db2.gz ZRFVGXMZKORMSC-ZIAGYGMSSA-N 0 3 284.831 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)C1CCCCC1 ZINC000876977084 643090601 /nfs/dbraw/zinc/09/06/01/643090601.db2.gz WMTFPNYSNMHOQV-GXFFZTMASA-N 0 3 272.820 2.789 20 30 CFEDHN C[C@@H](C[C@@H]1CCOC1)NCc1cc(C#N)cnc1Cl ZINC000877092820 643148632 /nfs/dbraw/zinc/14/86/32/643148632.db2.gz KMQGMUKGVWBYHN-QWRGUYRKSA-N 0 3 279.771 2.511 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C/C=C/C)C1 ZINC000877118703 643159936 /nfs/dbraw/zinc/15/99/36/643159936.db2.gz KJZOXWGMJRSMOE-HNFMAKEJSA-N 0 3 270.804 2.661 20 30 CFEDHN C#CCCCCCCNCc1cn(-c2ccccc2)nn1 ZINC000877161326 643182648 /nfs/dbraw/zinc/18/26/48/643182648.db2.gz JIGPDXYOANRADB-UHFFFAOYSA-N 0 3 282.391 2.941 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC(C(=O)C(F)(F)F)CC1 ZINC000877420032 643264711 /nfs/dbraw/zinc/26/47/11/643264711.db2.gz LPSYABNAZVZEIA-JTQLQIEISA-N 0 3 276.302 2.770 20 30 CFEDHN CCOC1CC(CCNCc2cc(C#N)cnc2Cl)C1 ZINC000877468430 643288555 /nfs/dbraw/zinc/28/85/55/643288555.db2.gz IUSBRPKYKJSUFY-UHFFFAOYSA-N 0 3 293.798 2.901 20 30 CFEDHN CCC(CC)(CCO)NCc1cc(C#N)cnc1Cl ZINC000877503402 643314069 /nfs/dbraw/zinc/31/40/69/643314069.db2.gz LGCGMIPCLPDLNF-UHFFFAOYSA-N 0 3 281.787 2.637 20 30 CFEDHN C#C[C@H](NCc1ccc2nccnc2c1)C(C)(C)C ZINC000877533613 643336211 /nfs/dbraw/zinc/33/62/11/643336211.db2.gz TWOASXGPHQLKEF-HNNXBMFYSA-N 0 3 253.349 2.767 20 30 CFEDHN CS[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877562923 643362458 /nfs/dbraw/zinc/36/24/58/643362458.db2.gz FCJVQPVFPYDXED-CQSZACIVSA-N 0 3 275.421 2.562 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCSC[C@H]2C)cc1 ZINC000245762124 650833712 /nfs/dbraw/zinc/83/37/12/650833712.db2.gz PZMOPNKRZUZXJR-CHWSQXEVSA-N 0 3 276.405 2.915 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000877573157 643372072 /nfs/dbraw/zinc/37/20/72/643372072.db2.gz OSXGTCZPFOZQNR-GFCCVEGCSA-N 0 3 292.814 2.523 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2ccnn2CC2CCC2)C1 ZINC000877604855 643391414 /nfs/dbraw/zinc/39/14/14/643391414.db2.gz IBERQSMWYPMQBM-OAHLLOKOSA-N 0 3 271.408 2.919 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC000877617428 643403337 /nfs/dbraw/zinc/40/33/37/643403337.db2.gz WETHTMNBAMMMQO-HNNXBMFYSA-N 0 3 291.345 2.855 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccccc2OCCCCO)C1 ZINC000877617515 643404145 /nfs/dbraw/zinc/40/41/45/643404145.db2.gz QBUSWPLTYAVPIB-INIZCTEOSA-N 0 3 287.403 2.683 20 30 CFEDHN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CC1(F)F ZINC000877630557 643415009 /nfs/dbraw/zinc/41/50/09/643415009.db2.gz KZJNWIQSQHXTQN-NSHDSACASA-N 0 3 271.698 2.742 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cc(OC)c(O)cc1Cl ZINC000877661276 643439278 /nfs/dbraw/zinc/43/92/78/643439278.db2.gz ZWAKPFLMTYYRBW-LBPRGKRZSA-N 0 3 297.782 2.572 20 30 CFEDHN C#CC[C@H](COC)NCc1cc2c(ccnc2Cl)o1 ZINC000877661788 643439684 /nfs/dbraw/zinc/43/96/84/643439684.db2.gz HMVRSADQOIGBQK-SNVBAGLBSA-N 0 3 278.739 2.609 20 30 CFEDHN Cc1noc(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000877704949 643472677 /nfs/dbraw/zinc/47/26/77/643472677.db2.gz YGHSNQULIKMWLK-UHFFFAOYSA-N 0 3 269.348 2.838 20 30 CFEDHN COC(=O)C[C@](C)(NCc1ccc(C#N)cc1F)C1CC1 ZINC000877706548 643474191 /nfs/dbraw/zinc/47/41/91/643474191.db2.gz HLJVCVXFNWMSHP-INIZCTEOSA-N 0 3 290.338 2.519 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3CSC[C@@H]3C2)s1 ZINC000877740039 643509250 /nfs/dbraw/zinc/50/92/50/643509250.db2.gz QXMZYIBSXRZOQL-QWRGUYRKSA-N 0 3 264.419 2.805 20 30 CFEDHN N#Cc1cccc(CNC2([C@@H]3CCCCO3)CCC2)n1 ZINC000877770874 643550678 /nfs/dbraw/zinc/55/06/78/643550678.db2.gz HGVCIWYNSABERQ-HNNXBMFYSA-N 0 3 271.364 2.535 20 30 CFEDHN C#Cc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1 ZINC000877842090 643605345 /nfs/dbraw/zinc/60/53/45/643605345.db2.gz DQKGTEZKJZHVHS-OAHLLOKOSA-N 0 3 287.326 2.514 20 30 CFEDHN C=CC[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000877912079 643637118 /nfs/dbraw/zinc/63/71/18/643637118.db2.gz XNRDXIXKMJEZSH-AWEZNQCLSA-N 0 3 260.381 2.782 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CC2(CCC2)CO1 ZINC000877917221 643640330 /nfs/dbraw/zinc/64/03/30/643640330.db2.gz RBIGGIIUDDNSLQ-MRXNPFEDSA-N 0 3 270.376 2.949 20 30 CFEDHN C=CC(C)(C)CC(=O)NCc1ccccc1CN(C)C ZINC000877982201 643678635 /nfs/dbraw/zinc/67/86/35/643678635.db2.gz KTVIHQZYXWDFKU-UHFFFAOYSA-N 0 3 274.408 2.967 20 30 CFEDHN C=CCN1CCC(NC(=O)CC(C)(C)CC(F)F)CC1 ZINC000878750960 644013413 /nfs/dbraw/zinc/01/34/13/644013413.db2.gz PKFPZBVUXBSXTJ-UHFFFAOYSA-N 0 3 288.382 2.825 20 30 CFEDHN C#CCN(CC[C@@H]1CC1(Cl)Cl)C1CSC1 ZINC000878910103 644071367 /nfs/dbraw/zinc/07/13/67/644071367.db2.gz HMMGQLKBULPWCF-SECBINFHSA-N 0 3 264.221 2.621 20 30 CFEDHN C=CC[C@@H](C)N1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000879010385 644111245 /nfs/dbraw/zinc/11/12/45/644111245.db2.gz BEZSXSNQVKZTDO-GFCCVEGCSA-N 0 3 284.363 2.670 20 30 CFEDHN CCCCCCCN1CCc2nc(COC)ncc2C1 ZINC000879108106 644146251 /nfs/dbraw/zinc/14/62/51/644146251.db2.gz ZYGFXGVSHCELJE-UHFFFAOYSA-N 0 3 277.412 2.952 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648880 644362889 /nfs/dbraw/zinc/36/28/89/644362889.db2.gz FOWQPGFNDPSAOS-KGLIPLIRSA-N 0 3 290.407 2.856 20 30 CFEDHN C#CCCN[C@H](COC)c1cccc(Br)c1 ZINC000879662999 644371148 /nfs/dbraw/zinc/37/11/48/644371148.db2.gz RTMPLSPMPBAYEG-CYBMUJFWSA-N 0 3 282.181 2.750 20 30 CFEDHN C[C@H](CCC#N)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691540 644384954 /nfs/dbraw/zinc/38/49/54/644384954.db2.gz CACKSRSMTJPNAT-HIFRSBDPSA-N 0 3 270.380 2.558 20 30 CFEDHN CC#CCCN1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879755998 644413068 /nfs/dbraw/zinc/41/30/68/644413068.db2.gz YHFWEQDPJFFHTK-GJZGRUSLSA-N 0 3 292.423 2.874 20 30 CFEDHN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CC[C@@H](C#N)C1 ZINC000880079741 644524932 /nfs/dbraw/zinc/52/49/32/644524932.db2.gz JLCHQNZGXSANEG-VNQPRFMTSA-N 0 3 299.374 2.636 20 30 CFEDHN CC(C)(O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000880146906 644555108 /nfs/dbraw/zinc/55/51/08/644555108.db2.gz ZNYYJVOZNMCFDT-AWEZNQCLSA-N 0 3 277.795 2.784 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](CF)C1 ZINC000880237639 644600484 /nfs/dbraw/zinc/60/04/84/644600484.db2.gz ZGANXJXUBOLNQT-CYBMUJFWSA-N 0 3 262.328 2.748 20 30 CFEDHN C#CCC1(O)CCN(Cc2cnc3ccccc3c2)CC1 ZINC000880483403 644732425 /nfs/dbraw/zinc/73/24/25/644732425.db2.gz BMBDKRZVORNENL-UHFFFAOYSA-N 0 3 280.371 2.585 20 30 CFEDHN C#CCCOc1ccc(CN(C)CCOCC2CC2)cc1 ZINC000093818595 650946717 /nfs/dbraw/zinc/94/67/17/650946717.db2.gz PYIZCXQVOVQTAZ-UHFFFAOYSA-N 0 3 287.403 2.947 20 30 CFEDHN C[C@H](C#N)OCCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535734 644754955 /nfs/dbraw/zinc/75/49/55/644754955.db2.gz GJMGMINFWRUZQS-WWGRRREGSA-N 0 3 256.349 2.849 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000880659164 644799095 /nfs/dbraw/zinc/79/90/95/644799095.db2.gz ZCPJUPJMVNLYAX-LBPRGKRZSA-N 0 3 252.402 2.578 20 30 CFEDHN Cc1nc(C#N)cc(NC[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC000881829488 645135808 /nfs/dbraw/zinc/13/58/08/645135808.db2.gz XXXMNLULKGYSPX-HNNXBMFYSA-N 0 3 299.353 2.511 20 30 CFEDHN CCN(CC)[C@H](CNc1cc(C#N)nc(C)n1)c1ccco1 ZINC000881857179 645141270 /nfs/dbraw/zinc/14/12/70/645141270.db2.gz SRDSGYIHQPALAV-CQSZACIVSA-N 0 3 299.378 2.745 20 30 CFEDHN C#CCC1(O)CCN(c2ccnc3ccccc32)CC1 ZINC000882970806 645533678 /nfs/dbraw/zinc/53/36/78/645533678.db2.gz ORCFZFBUQADUHP-UHFFFAOYSA-N 0 3 266.344 2.589 20 30 CFEDHN C#Cc1ccc(CNCc2c(C)cc(OC)nc2C)cc1 ZINC000883132535 645619107 /nfs/dbraw/zinc/61/91/07/645619107.db2.gz USMLXJXIKAKHHL-UHFFFAOYSA-N 0 3 280.371 2.978 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(N(CC)CC)c(F)c1 ZINC000883156932 645630597 /nfs/dbraw/zinc/63/05/97/645630597.db2.gz GKOCEJQCDPUYBY-HNNXBMFYSA-N 0 3 292.398 2.536 20 30 CFEDHN C=CCC[C@@H](NCc1c(C)noc1C)[C@H]1CCCO1 ZINC000883176989 645641468 /nfs/dbraw/zinc/64/14/68/645641468.db2.gz OXOUDWRNHFWTMW-HUUCEWRRSA-N 0 3 264.369 2.895 20 30 CFEDHN C=CCCn1cc(CNCC2(CC3CC3)CC2)nn1 ZINC000883248078 645694999 /nfs/dbraw/zinc/69/49/99/645694999.db2.gz GQNNUINWIORPOJ-UHFFFAOYSA-N 0 3 260.385 2.524 20 30 CFEDHN C=CCC[C@@H](NCC[C@H]1CCCS1(=O)=O)c1ccco1 ZINC000883308909 645730882 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C#CCN[C@H]1CCN(C(=O)[C@H](CCC=C)c2ccccc2)C1 ZINC001266572097 770357003 /nfs/dbraw/zinc/35/70/03/770357003.db2.gz UFZHFLVWLRDWDS-ZWKOTPCHSA-N 0 3 296.414 2.560 20 30 CFEDHN C=CCN(CCNC(=O)c1ccc(Cl)cc1F)C1CC1 ZINC001266600123 770403773 /nfs/dbraw/zinc/40/37/73/770403773.db2.gz JWPOKIGTHRIZSF-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCC(C)C)C1 ZINC001266655845 770490213 /nfs/dbraw/zinc/49/02/13/770490213.db2.gz IGYUTNXESPKAMN-SJORKVTESA-N 0 3 290.451 2.759 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H](F)CC)C1 ZINC001266758149 770582674 /nfs/dbraw/zinc/58/26/74/770582674.db2.gz OGBWEKXXELSMEP-UONOGXRCSA-N 0 3 284.419 2.775 20 30 CFEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001039419199 770635128 /nfs/dbraw/zinc/63/51/28/770635128.db2.gz KZEZBDGREOWOFZ-ZACQAIPSSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001039419198 770635574 /nfs/dbraw/zinc/63/55/74/770635574.db2.gz KZEZBDGREOWOFZ-BBWFWOEESA-N 0 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GLGPGCVHNCPUGK-QINSGFPZSA-N 0 3 299.418 2.853 20 30 CFEDHN C=CCN(CC)CCNC(=O)C1(C)CCC(C)CC1 ZINC001267257249 775109665 /nfs/dbraw/zinc/10/96/65/775109665.db2.gz SVFRIYIBNHBERZ-UHFFFAOYSA-N 0 3 266.429 2.827 20 30 CFEDHN N#Cc1ccccc1N1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001276953866 775124381 /nfs/dbraw/zinc/12/43/81/775124381.db2.gz RTPZBXSGYRWHJG-MAUKXSAKSA-N 0 3 292.386 2.597 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)CC)C[C@H]1c1ccccc1 ZINC001211588414 775133700 /nfs/dbraw/zinc/13/37/00/775133700.db2.gz MFTWEPDIVCWICN-RYQLBKOJSA-N 0 3 298.430 2.640 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCN1CC=C(C)C ZINC001267272427 775134826 /nfs/dbraw/zinc/13/48/26/775134826.db2.gz NHLVOAQVHWLNLK-CQSZACIVSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCCC1(F)F ZINC001267275058 775139734 /nfs/dbraw/zinc/13/97/34/775139734.db2.gz SUYUXEZHVBYBOB-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1 ZINC001267282258 775149132 /nfs/dbraw/zinc/14/91/32/775149132.db2.gz PAACNLVKRKLUCS-KRWDZBQOSA-N 0 3 298.430 2.568 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)Cl)C[C@@H]21 ZINC001042075767 775169831 /nfs/dbraw/zinc/16/98/31/775169831.db2.gz GBJKJYDLBSJMQH-KGLIPLIRSA-N 0 3 296.842 2.874 20 30 CFEDHN C=CCCC1(C(=O)NCC2CCN(CC#CC)CC2)CC1 ZINC001224394037 775172744 /nfs/dbraw/zinc/17/27/44/775172744.db2.gz GONNHDDQIHLQTL-UHFFFAOYSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN(CCC)CCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001267315294 775194634 /nfs/dbraw/zinc/19/46/34/775194634.db2.gz INPPFWIZAOIKND-WBVHZDCISA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(CCC)CCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001267315291 775195211 /nfs/dbraw/zinc/19/52/11/775195211.db2.gz INPPFWIZAOIKND-DOTOQJQBSA-N 0 3 278.440 2.664 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001267316186 775197166 /nfs/dbraw/zinc/19/71/66/775197166.db2.gz ILXQMZBJHYRFAY-YESZJQIVSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCN(CCNC(=O)c1cc2ccccc2o1)C1CC1 ZINC001267337171 775220953 /nfs/dbraw/zinc/22/09/53/775220953.db2.gz JVPUPUPXFINKBJ-UHFFFAOYSA-N 0 3 284.359 2.813 20 30 CFEDHN C=CCN[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267350942 775240662 /nfs/dbraw/zinc/24/06/62/775240662.db2.gz LOVCGZIQIZXQCC-NVXWUHKLSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)C[C@H](C)CC)c1ccccc1 ZINC001267357200 775245055 /nfs/dbraw/zinc/24/50/55/775245055.db2.gz LFDROMKFNUCXSM-WBVHZDCISA-N 0 3 286.419 2.893 20 30 CFEDHN Fc1ccc(C=NOCCN2CCCCC2)cc1 ZINC000588596025 775248494 /nfs/dbraw/zinc/24/84/94/775248494.db2.gz SEEJKYZWFBEXIG-UHFFFAOYSA-N 0 3 250.317 2.662 20 30 CFEDHN C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001224814966 775279826 /nfs/dbraw/zinc/27/98/26/775279826.db2.gz FKTWZAVDXSLQEL-HUUCEWRRSA-N 0 3 288.391 2.599 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(C)CCNCc1scnc1C ZINC001267416068 775318844 /nfs/dbraw/zinc/31/88/44/775318844.db2.gz BLOYBRLSCPOOGC-ZDUSSCGKSA-N 0 3 295.452 2.602 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CC(C)C)CC1 ZINC001225009671 775332388 /nfs/dbraw/zinc/33/23/88/775332388.db2.gz RCFRKNIOJLUICT-HNNXBMFYSA-N 0 3 278.440 2.520 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)C2CC(C)C2)C1 ZINC001267455291 775333409 /nfs/dbraw/zinc/33/34/09/775333409.db2.gz XPXMPNQGHIMPNC-UYSNPLJNSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@@H]1CCc2ccccc21 ZINC000892490606 775386942 /nfs/dbraw/zinc/38/69/42/775386942.db2.gz VKCFRDWCMXQUGP-HOCLYGCPSA-N 0 3 296.370 2.508 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001225278647 775388317 /nfs/dbraw/zinc/38/83/17/775388317.db2.gz WJVFHIHAKXZJQV-HNNXBMFYSA-N 0 3 292.467 2.910 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC001225535032 775494723 /nfs/dbraw/zinc/49/47/23/775494723.db2.gz SZCXHENLBXRBTO-INIZCTEOSA-N 0 3 298.430 2.560 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)/C=C\C1CC1 ZINC001225560384 775500857 /nfs/dbraw/zinc/50/08/57/775500857.db2.gz NIVJZWROFBHWDW-GIBSZGAASA-N 0 3 282.815 2.722 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001025192135 775562687 /nfs/dbraw/zinc/56/26/87/775562687.db2.gz OSRDUBQWIZLANI-ROUUACIJSA-N 0 3 296.414 2.779 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001025192133 775563256 /nfs/dbraw/zinc/56/32/56/775563256.db2.gz OSRDUBQWIZLANI-MSOLQXFVSA-N 0 3 296.414 2.779 20 30 CFEDHN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001025219706 775573198 /nfs/dbraw/zinc/57/31/98/775573198.db2.gz ZCSWSXXLMWILPC-IRXDYDNUSA-N 0 3 286.419 2.575 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001025264419 775583000 /nfs/dbraw/zinc/58/30/00/775583000.db2.gz ACTUBBWRBYAIKY-KGLIPLIRSA-N 0 3 298.377 2.510 20 30 CFEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)C2CCCCC2)C1 ZINC001025321542 775599692 /nfs/dbraw/zinc/59/96/92/775599692.db2.gz XYYJTJPMXIGWCA-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025416530 775650698 /nfs/dbraw/zinc/65/06/98/775650698.db2.gz ZPLUPCPIPTXYNR-ZIAGYGMSSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)C1CCCCCC1 ZINC001225989103 775659973 /nfs/dbraw/zinc/65/99/73/775659973.db2.gz GPXSPALLKRRAOG-HNNXBMFYSA-N 0 3 293.455 2.600 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC001025606404 775707264 /nfs/dbraw/zinc/70/72/64/775707264.db2.gz FOFFERWFXJKOLT-IRXDYDNUSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001025623697 775714396 /nfs/dbraw/zinc/71/43/96/775714396.db2.gz HEYLXVJDTGHGTE-NVXWUHKLSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)CC(C)(C)C ZINC000328198250 775731903 /nfs/dbraw/zinc/73/19/03/775731903.db2.gz SENBMZOQFFNBDS-CQSZACIVSA-N 0 3 266.429 2.520 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1 ZINC001267700101 775790592 /nfs/dbraw/zinc/79/05/92/775790592.db2.gz IZNPIECXLKYPLX-IRXDYDNUSA-N 0 3 284.403 2.860 20 30 CFEDHN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC1(F)F ZINC001267705270 775793583 /nfs/dbraw/zinc/79/35/83/775793583.db2.gz UCDCHBRUNCJFPL-IHRRRGAJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001267710900 775800025 /nfs/dbraw/zinc/80/00/25/775800025.db2.gz CQVPDSGNODGRNO-ILXRZTDVSA-N 0 3 288.391 2.841 20 30 CFEDHN Cc1c(C#N)c(OC2CCN(C)CC2)nc2ccccc12 ZINC001226444219 775824746 /nfs/dbraw/zinc/82/47/46/775824746.db2.gz GYPDDJBAVJWGJM-UHFFFAOYSA-N 0 3 281.359 2.888 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001267751242 775881280 /nfs/dbraw/zinc/88/12/80/775881280.db2.gz PIPPUKSZJALFPQ-JKSUJKDBSA-N 0 3 278.440 2.807 20 30 CFEDHN C=CCCCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001267750918 775881522 /nfs/dbraw/zinc/88/15/22/775881522.db2.gz RLUCYZOEUONSQX-CYBMUJFWSA-N 0 3 291.395 2.568 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)C(C)(C)C)C1 ZINC001267768359 775901733 /nfs/dbraw/zinc/90/17/33/775901733.db2.gz UODGWORDEHNZKY-UONOGXRCSA-N 0 3 266.429 2.777 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267772058 775908058 /nfs/dbraw/zinc/90/80/58/775908058.db2.gz SCSWWWVDIANOKZ-NWDGAFQWSA-N 0 3 292.345 2.684 20 30 CFEDHN CN1CCC(Oc2ccc3nc(C#N)sc3c2)CC1 ZINC001226675676 775915212 /nfs/dbraw/zinc/91/52/12/775915212.db2.gz XEHOFYFKMYEVBV-UHFFFAOYSA-N 0 3 273.361 2.641 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)CC)C1 ZINC001267783284 775926173 /nfs/dbraw/zinc/92/61/73/775926173.db2.gz HRMZYRARJYGZSK-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)CC)C1 ZINC001267783287 775926262 /nfs/dbraw/zinc/92/62/62/775926262.db2.gz HRMZYRARJYGZSK-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN CN1CCC(Oc2ccc(Br)c(C#N)c2)CC1 ZINC001226729937 775940071 /nfs/dbraw/zinc/94/00/71/775940071.db2.gz RYWRVUNRMQCJNR-UHFFFAOYSA-N 0 3 295.180 2.794 20 30 CFEDHN C=CCCCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001277157604 775978069 /nfs/dbraw/zinc/97/80/69/775978069.db2.gz FTFGPDOZWWPFJR-UHFFFAOYSA-N 0 3 297.402 2.653 20 30 CFEDHN C=CCCCCCCCN1CC2(C[C@H]2C(=O)N(C)C)C1 ZINC001277166995 776021380 /nfs/dbraw/zinc/02/13/80/776021380.db2.gz CSMPSKZJQNCPJU-HNNXBMFYSA-N 0 3 278.440 2.923 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)C(C)(C)CC=C)cc1 ZINC001267939864 776069873 /nfs/dbraw/zinc/06/98/73/776069873.db2.gz YQAHMIXNLOYWMK-UHFFFAOYSA-N 0 3 284.403 2.628 20 30 CFEDHN C=CCCC(=O)NC[C@H](C)CNCc1nc(C)c(C)s1 ZINC001267981260 776159030 /nfs/dbraw/zinc/15/90/30/776159030.db2.gz NZZUJJRFNCEETF-LLVKDONJSA-N 0 3 295.452 2.568 20 30 CFEDHN CCCCCCCN1CC[C@H]2C[C@]21C(=O)N1CCCCO1 ZINC001277225023 776242212 /nfs/dbraw/zinc/24/22/12/776242212.db2.gz FCHUNXOLCXYBDT-DOTOQJQBSA-N 0 3 294.439 2.975 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001038731028 776314085 /nfs/dbraw/zinc/31/40/85/776314085.db2.gz BCRULBSRUZPMIP-MRXNPFEDSA-N 0 3 290.382 2.904 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001027494756 776335276 /nfs/dbraw/zinc/33/52/76/776335276.db2.gz JGHFGXVPPKDOPX-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC#CC ZINC001228061255 776381805 /nfs/dbraw/zinc/38/18/05/776381805.db2.gz HPPWKKWOVUHVEP-HUUCEWRRSA-N 0 3 296.842 2.950 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001027691469 776409701 /nfs/dbraw/zinc/40/97/01/776409701.db2.gz XYVLNWWXCQYOTP-MRXNPFEDSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H](C)c2ccccc2C)C1 ZINC001027691559 776409728 /nfs/dbraw/zinc/40/97/28/776409728.db2.gz ZWGQVMBBZSNGCW-SJORKVTESA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccccc1F ZINC001027723429 776426773 /nfs/dbraw/zinc/42/67/73/776426773.db2.gz COKPCQUFBIENIO-ZDUSSCGKSA-N 0 3 276.355 2.596 20 30 CFEDHN C=C(C)CCN1CCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001027785303 776451845 /nfs/dbraw/zinc/45/18/45/776451845.db2.gz PPRYMVZAPRTPOL-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001228412748 776484195 /nfs/dbraw/zinc/48/41/95/776484195.db2.gz CVXWMIIYCYJVQG-NFAWXSAZSA-N 0 3 270.392 2.575 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1sccc1F ZINC001027868516 776484817 /nfs/dbraw/zinc/48/48/17/776484817.db2.gz NTMPLGNFPAJSML-NSHDSACASA-N 0 3 282.384 2.658 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027878949 776488259 /nfs/dbraw/zinc/48/82/59/776488259.db2.gz KWBZINYVLUWRBC-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001027906803 776503658 /nfs/dbraw/zinc/50/36/58/776503658.db2.gz RBCGJBHEVZFYPG-AWEZNQCLSA-N 0 3 290.432 2.582 20 30 CFEDHN CC(=O)/C=C/c1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001228495328 776507579 /nfs/dbraw/zinc/50/75/79/776507579.db2.gz AVIOFFIMGSCMLT-YATRRXNKSA-N 0 3 271.360 2.762 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926078 776515189 /nfs/dbraw/zinc/51/51/89/776515189.db2.gz JZCPIPBSCCEVAW-KRWDZBQOSA-N 0 3 297.402 2.628 20 30 CFEDHN C=C(C)CCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001268065541 776535344 /nfs/dbraw/zinc/53/53/44/776535344.db2.gz KXYNHYBQRJSOGD-QGZVFWFLSA-N 0 3 298.430 2.831 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028097434 776618713 /nfs/dbraw/zinc/61/87/13/776618713.db2.gz UFOUAZBANITVPL-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001028104697 776624707 /nfs/dbraw/zinc/62/47/07/776624707.db2.gz GCZFXMWHWWTKFY-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C(C)C ZINC001268147026 776651676 /nfs/dbraw/zinc/65/16/76/776651676.db2.gz CNYGMVMJNQKJFQ-ZDUSSCGKSA-N 0 3 272.820 2.756 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001028153285 776665837 /nfs/dbraw/zinc/66/58/37/776665837.db2.gz MYXVNYFDUUAQAL-RBSFLKMASA-N 0 3 288.391 2.540 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](CC)CC(F)(F)F ZINC001268254834 776724673 /nfs/dbraw/zinc/72/46/73/776724673.db2.gz DYFMTFJVUDMUTJ-GFCCVEGCSA-N 0 3 294.361 2.931 20 30 CFEDHN C=C1CCC(CNC(=O)[C@@H](N)CCC(C)C)CC1 ZINC000724458583 776777517 /nfs/dbraw/zinc/77/75/17/776777517.db2.gz MWXBYWOYORXDOX-AWEZNQCLSA-N 0 3 252.402 2.613 20 30 CFEDHN CN(C)CCC(=O)c1ccc(O[C@@H]2CC[C@H](C#N)C2)cc1 ZINC001229306542 776774071 /nfs/dbraw/zinc/77/40/71/776774071.db2.gz NLPYFTZABGJFGE-XJKSGUPXSA-N 0 3 286.375 2.892 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC001268415514 776795981 /nfs/dbraw/zinc/79/59/81/776795981.db2.gz DKMJIEBFDJLBSU-GFCCVEGCSA-N 0 3 296.798 2.546 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028296178 776840655 /nfs/dbraw/zinc/84/06/55/776840655.db2.gz PPKBJYONVZMHDI-INIZCTEOSA-N 0 3 272.392 2.629 20 30 CFEDHN C=CCOc1ccccc1OC1CCN(CCOC)CC1 ZINC001229611324 776856564 /nfs/dbraw/zinc/85/65/64/776856564.db2.gz BLECAOOSJVZPBJ-UHFFFAOYSA-N 0 3 291.391 2.741 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028331656 776857007 /nfs/dbraw/zinc/85/70/07/776857007.db2.gz UXYSSRBXHPMSQU-QGZVFWFLSA-N 0 3 284.403 2.944 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001028334905 776859616 /nfs/dbraw/zinc/85/96/16/776859616.db2.gz KCUGVOLFMOOYMF-CQSZACIVSA-N 0 3 297.402 2.857 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028338580 776861628 /nfs/dbraw/zinc/86/16/28/776861628.db2.gz CUCCWGOVOSEVTO-HNNXBMFYSA-N 0 3 298.430 2.864 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341650 776866047 /nfs/dbraw/zinc/86/60/47/776866047.db2.gz PYIOHIVOAAVNOP-NRXISQOPSA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001028349871 776866897 /nfs/dbraw/zinc/86/68/97/776866897.db2.gz VTABMFFIZAZOGD-AWEZNQCLSA-N 0 3 296.370 2.650 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028345402 776866991 /nfs/dbraw/zinc/86/69/91/776866991.db2.gz GWLCPTZVZIBRNL-HNNXBMFYSA-N 0 3 284.403 2.556 20 30 CFEDHN CC#CCNCCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001268486165 776886252 /nfs/dbraw/zinc/88/62/52/776886252.db2.gz ODUOFZHRLGLGNU-ZWKOTPCHSA-N 0 3 298.430 2.560 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001028561632 776945978 /nfs/dbraw/zinc/94/59/78/776945978.db2.gz BMBSNPPYADIRQL-IRXDYDNUSA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001028579358 776955490 /nfs/dbraw/zinc/95/54/90/776955490.db2.gz CKXUCVOUMUNVSG-OAHLLOKOSA-N 0 3 296.414 2.639 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)[C@@H](CC)CC(F)(F)F ZINC001268751831 777044223 /nfs/dbraw/zinc/04/42/23/777044223.db2.gz LOWWAQCJDXDZSR-QWRGUYRKSA-N 0 3 280.334 2.588 20 30 CFEDHN C#CCNC/C=C\CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001268631152 777002291 /nfs/dbraw/zinc/00/22/91/777002291.db2.gz XCPHGODTRHQKEJ-IDTUSYRASA-N 0 3 284.403 2.709 20 30 CFEDHN N#C[C@@H](Oc1ccc2[nH]c(N)nc2c1)c1cccc(F)c1 ZINC001230517456 777002445 /nfs/dbraw/zinc/00/24/45/777002445.db2.gz CWBRNPOSJDBQKN-CQSZACIVSA-N 0 3 282.278 2.928 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C1CC1 ZINC001230557226 777013941 /nfs/dbraw/zinc/01/39/41/777013941.db2.gz SMLJCVHAKFFZRV-OAHLLOKOSA-N 0 3 266.429 2.900 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230574778 777018079 /nfs/dbraw/zinc/01/80/79/777018079.db2.gz HSRRCBDOPLYEML-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1cc(C)c(OC)c(C)c1 ZINC001268732276 777037951 /nfs/dbraw/zinc/03/79/51/777037951.db2.gz WWRUNTMBOJIICX-CQSZACIVSA-N 0 3 290.407 2.548 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001268746031 777042576 /nfs/dbraw/zinc/04/25/76/777042576.db2.gz MSWUGIVDEZHVSE-SNVBAGLBSA-N 0 3 284.762 2.715 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@H](CC)CC(F)(F)F ZINC001268751830 777044129 /nfs/dbraw/zinc/04/41/29/777044129.db2.gz LOWWAQCJDXDZSR-MNOVXSKESA-N 0 3 280.334 2.588 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001268758838 777047311 /nfs/dbraw/zinc/04/73/11/777047311.db2.gz GPLUIWYRFQZLNT-MNNVXMFVSA-N 0 3 298.430 2.731 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230734402 777053783 /nfs/dbraw/zinc/05/37/83/777053783.db2.gz DHUBPDVJLCUJMS-OAHLLOKOSA-N 0 3 289.423 2.907 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CCCC(C)=O ZINC001230757913 777059194 /nfs/dbraw/zinc/05/91/94/777059194.db2.gz CWZPZIVTCVQHIM-GDBMZVCRSA-N 0 3 294.439 2.633 20 30 CFEDHN C=C(C)CCC(=O)NCCCN(CC)Cc1cccnc1 ZINC001230771275 777060116 /nfs/dbraw/zinc/06/01/16/777060116.db2.gz BDHMPPJDGPFTON-UHFFFAOYSA-N 0 3 289.423 2.766 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001230787602 777063014 /nfs/dbraw/zinc/06/30/14/777063014.db2.gz BZIIFPBKACCWIR-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN Cc1ccccc1CN1CC(CNC(=O)C#CC(C)(C)C)C1 ZINC001268825860 777063183 /nfs/dbraw/zinc/06/31/83/777063183.db2.gz UESSULXVFABSEF-UHFFFAOYSA-N 0 3 298.430 2.593 20 30 CFEDHN C=C(C)CCC(=O)NCC1CN(CCc2cccs2)C1 ZINC001268833251 777063929 /nfs/dbraw/zinc/06/39/29/777063929.db2.gz IYBJIVBDYRRJRD-UHFFFAOYSA-N 0 3 292.448 2.695 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CC ZINC001230812275 777068531 /nfs/dbraw/zinc/06/85/31/777068531.db2.gz VGIMQYFYFOLTAI-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)c1ccon1 ZINC001230889984 777083653 /nfs/dbraw/zinc/08/36/53/777083653.db2.gz OWGWERLVIQUJCW-CQSZACIVSA-N 0 3 293.411 2.791 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001269069104 777096237 /nfs/dbraw/zinc/09/62/37/777096237.db2.gz IGYCQYDCOFBEMC-WBVHZDCISA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001269069123 777096499 /nfs/dbraw/zinc/09/64/99/777096499.db2.gz IZJKNMXGFGQZSF-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCCCN1CC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001269100769 777101675 /nfs/dbraw/zinc/10/16/75/777101675.db2.gz GHWUKVGOWJHKQH-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231043412 777122699 /nfs/dbraw/zinc/12/26/99/777122699.db2.gz PLBQSVGZSOBSGF-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCC(C)C ZINC001269194584 777136178 /nfs/dbraw/zinc/13/61/78/777136178.db2.gz JLBPVWVORUVZGB-CQSZACIVSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001269234991 777147523 /nfs/dbraw/zinc/14/75/23/777147523.db2.gz VJBHIRXZMRLXAK-HNNXBMFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C ZINC001231123417 777148325 /nfs/dbraw/zinc/14/83/25/777148325.db2.gz TVYZQJKQECIJKX-KRWDZBQOSA-N 0 3 286.419 2.994 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H](CC)CC(F)F ZINC001269249170 777150163 /nfs/dbraw/zinc/15/01/63/777150163.db2.gz QEYIFJGCRXQIPS-QWHCGFSZSA-N 0 3 288.382 2.825 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001231131057 777151424 /nfs/dbraw/zinc/15/14/24/777151424.db2.gz LENIXJVPQPHWPY-STQMWFEESA-N 0 3 293.436 2.644 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001269254528 777152722 /nfs/dbraw/zinc/15/27/22/777152722.db2.gz BCCXBXBEINFCEC-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)COC ZINC001231217294 777172818 /nfs/dbraw/zinc/17/28/18/777172818.db2.gz PPCXRRAMRXNFBX-CVEARBPZSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001269352501 777175408 /nfs/dbraw/zinc/17/54/08/777175408.db2.gz UUMFJDFECZGFLC-MRXNPFEDSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001269344541 777176123 /nfs/dbraw/zinc/17/61/23/777176123.db2.gz VRJRIVYJXIJDBU-OAHLLOKOSA-N 0 3 289.423 2.839 20 30 CFEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCC(C)(C)C ZINC001231293670 777186030 /nfs/dbraw/zinc/18/60/30/777186030.db2.gz PKVMLTIAIXBDQP-KBPBESRZSA-N 0 3 279.428 2.505 20 30 CFEDHN C#CCNC1(CNC(=O)[C@H](CCC)CC2CCCC2)CC1 ZINC001269501848 777198828 /nfs/dbraw/zinc/19/88/28/777198828.db2.gz GDYOPITVJJFXDQ-MRXNPFEDSA-N 0 3 290.451 2.855 20 30 CFEDHN CC#CCNC1(CNC(=O)CC(C)(C)c2ccccc2)CC1 ZINC001269544883 777206181 /nfs/dbraw/zinc/20/61/81/777206181.db2.gz WHSQHATYTGBSQO-UHFFFAOYSA-N 0 3 298.430 2.616 20 30 CFEDHN CC#CCCCC(=O)N[C@]1(CNCCF)CCCC[C@H]1C ZINC001269670385 777228319 /nfs/dbraw/zinc/22/83/19/777228319.db2.gz KIQRJOUPGJQHPF-WBVHZDCISA-N 0 3 296.430 2.804 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H](F)CC)C1 ZINC001269754805 777242901 /nfs/dbraw/zinc/24/29/01/777242901.db2.gz GZLCXULGEAONBQ-CHWSQXEVSA-N 0 3 290.810 2.705 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](F)CC1 ZINC001231616364 777280550 /nfs/dbraw/zinc/28/05/50/777280550.db2.gz BARVTLACIQPBRG-CQSZACIVSA-N 0 3 262.328 2.891 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001231616703 777280627 /nfs/dbraw/zinc/28/06/27/777280627.db2.gz LFABQWSOOGVTFT-DYVFJYSZSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](O)[C@H](F)CC2)c1 ZINC001231621080 777281825 /nfs/dbraw/zinc/28/18/25/777281825.db2.gz OEFMOEXERMLBHK-HZPDHXFCSA-N 0 3 279.355 2.546 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC001167959535 777284137 /nfs/dbraw/zinc/28/41/37/777284137.db2.gz XFRXFRSKGARLDX-RRFJBIMHSA-N 0 3 297.443 2.557 20 30 CFEDHN C#Cc1cccc(CN2CCC(c3nnc(CC)o3)CC2)c1 ZINC001231662836 777299834 /nfs/dbraw/zinc/29/98/34/777299834.db2.gz JISUEBUKISCSMN-UHFFFAOYSA-N 0 3 295.386 2.993 20 30 CFEDHN C=CCCCCNCc1cn(C)nc1Br ZINC000712446927 777326968 /nfs/dbraw/zinc/32/69/68/777326968.db2.gz WMIYJHCJTMWXPP-UHFFFAOYSA-N 0 3 272.190 2.629 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001028972570 777350700 /nfs/dbraw/zinc/35/07/00/777350700.db2.gz NAYPMTSYLNPZMC-AWEZNQCLSA-N 0 3 296.370 2.508 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009952 777376758 /nfs/dbraw/zinc/37/67/58/777376758.db2.gz WSKSEQTWOZCZEN-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN O=C1C=C2CN(Cc3cc(Cl)cnc3F)CCC2S1 ZINC001231991932 777403826 /nfs/dbraw/zinc/40/38/26/777403826.db2.gz CMDXPKCDWHSYFW-LLVKDONJSA-N 0 3 298.770 2.648 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)C[C@@H](C)CC)C1 ZINC001270574996 777412093 /nfs/dbraw/zinc/41/20/93/777412093.db2.gz BXULCCFMCOIXCK-ZFWWWQNUSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCN1C[C@@H]2CCN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001075760765 777427620 /nfs/dbraw/zinc/42/76/20/777427620.db2.gz CRZLBPBIVQQAIO-WCQYABFASA-N 0 3 294.395 2.610 20 30 CFEDHN CCCN1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115310 777444186 /nfs/dbraw/zinc/44/41/86/777444186.db2.gz KHSROJPXXHOQIV-UHFFFAOYSA-N 0 3 277.799 2.739 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CC(C2CC2)C2CC2)C1 ZINC001270663523 777446327 /nfs/dbraw/zinc/44/63/27/777446327.db2.gz CBXHEJNYXPTYGC-GOSISDBHSA-N 0 3 290.451 2.969 20 30 CFEDHN SC1CCN(Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232131644 777447925 /nfs/dbraw/zinc/44/79/25/777447925.db2.gz BMXMTLJMJCJAPI-UHFFFAOYSA-N 0 3 275.377 2.631 20 30 CFEDHN C=CCN(C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232202676 777469238 /nfs/dbraw/zinc/46/92/38/777469238.db2.gz DXCCGRGLSPJXNN-UHFFFAOYSA-N 0 3 280.799 2.794 20 30 CFEDHN C#CC1CCN(Cc2cnc(OCC)c(C)c2)CC1 ZINC001232306741 777513647 /nfs/dbraw/zinc/51/36/47/777513647.db2.gz DWIONGLOWMMETC-UHFFFAOYSA-N 0 3 258.365 2.634 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)/C=C(\C)CC)CC2 ZINC001270845749 777515800 /nfs/dbraw/zinc/51/58/00/777515800.db2.gz VONBVIWMMKGYME-XNTDXEJSSA-N 0 3 276.424 2.843 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)n2)[C@H]1CC ZINC001087504481 777544396 /nfs/dbraw/zinc/54/43/96/777544396.db2.gz IOHXFDUQIIBZGP-GOEBONIOSA-N 0 3 287.407 2.549 20 30 CFEDHN Cc1ncc(CN2CCC(C#Cc3ccccc3)CC2)[nH]1 ZINC001232465773 777570165 /nfs/dbraw/zinc/57/01/65/777570165.db2.gz PHAJYSDSWSWBQD-UHFFFAOYSA-N 0 3 279.387 2.982 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cnccc2C)[C@H]1CC ZINC001087529040 777595050 /nfs/dbraw/zinc/59/50/50/777595050.db2.gz NJRSFLDCPBNTAR-JKSUJKDBSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCN1CCC[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001270990502 777622428 /nfs/dbraw/zinc/62/24/28/777622428.db2.gz BPZVSDKEWWBVHS-INIZCTEOSA-N 0 3 278.440 2.971 20 30 CFEDHN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cncc2cnccc21 ZINC001232652902 777631393 /nfs/dbraw/zinc/63/13/93/777631393.db2.gz NNFGHPININBUPL-DVSIDAKKSA-N 0 3 278.359 2.896 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H](C)CNC[C@@H](F)CC)CCC1 ZINC001271093659 777648472 /nfs/dbraw/zinc/64/84/72/777648472.db2.gz RBEHBOQLWJRKDE-KBPBESRZSA-N 0 3 284.419 2.917 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccncc2C)[C@H]1CC ZINC001087566692 777659282 /nfs/dbraw/zinc/65/92/82/777659282.db2.gz ZFJNKBJBBPIZHK-JKSUJKDBSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H]1CC ZINC001087581105 777661748 /nfs/dbraw/zinc/66/17/48/777661748.db2.gz PQLIMHSGZQATSS-JKSUJKDBSA-N 0 3 290.382 2.903 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1CC ZINC001087581439 777661810 /nfs/dbraw/zinc/66/18/10/777661810.db2.gz HZYKVNZWTHWCQC-LSDHHAIUSA-N 0 3 290.382 2.903 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1CC ZINC001087601775 777666678 /nfs/dbraw/zinc/66/66/78/777666678.db2.gz JPFOJAZAHLHWCB-LSDHHAIUSA-N 0 3 294.345 2.734 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1CC ZINC001087665490 777674973 /nfs/dbraw/zinc/67/49/73/777674973.db2.gz RUKLTRMSBNVSOE-YHUYYLMFSA-N 0 3 276.424 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087676907 777677686 /nfs/dbraw/zinc/67/76/86/777677686.db2.gz MDEYUUFPZBJSLK-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1CC ZINC001087693821 777680802 /nfs/dbraw/zinc/68/08/02/777680802.db2.gz XSEKOMQJOYGUKD-MELADBBJSA-N 0 3 264.413 2.578 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1CC ZINC001087783958 777698034 /nfs/dbraw/zinc/69/80/34/777698034.db2.gz DMSDZGPJZCLTJN-LSDHHAIUSA-N 0 3 294.414 2.651 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)[C@H]1CC ZINC001087803214 777702508 /nfs/dbraw/zinc/70/25/08/777702508.db2.gz JBMLHUTXXRPVET-HYVNUMGLSA-N 0 3 286.419 2.945 20 30 CFEDHN CN(Cc1ccc(Br)c(C#N)c1)[C@@H]1CCOC1 ZINC001232894831 777709878 /nfs/dbraw/zinc/70/98/78/777709878.db2.gz FFPKOCBHSNCRGP-GFCCVEGCSA-N 0 3 295.180 2.541 20 30 CFEDHN CN(CCc1cccc(F)c1)Cc1cccc(C#N)n1 ZINC001232926125 777721562 /nfs/dbraw/zinc/72/15/62/777721562.db2.gz CDKDBNRDSGEXQS-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN COc1cccc([C@@H]2CCN(Cc3cccc(C#N)n3)C2)c1 ZINC001232926943 777722819 /nfs/dbraw/zinc/72/28/19/777722819.db2.gz JFADHIVTLJLQOF-OAHLLOKOSA-N 0 3 293.370 2.951 20 30 CFEDHN COc1cccc([C@H]2CCN(Cc3cccc(C#N)n3)C2)c1 ZINC001232926942 777724382 /nfs/dbraw/zinc/72/43/82/777724382.db2.gz JFADHIVTLJLQOF-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN Cc1ccc(CN2CC[C@]3(C2)CCCOC3)c(C#N)c1 ZINC001232967326 777742953 /nfs/dbraw/zinc/74/29/53/777742953.db2.gz INYNIBJUQWEASL-KRWDZBQOSA-N 0 3 270.376 2.869 20 30 CFEDHN Cc1ccc(CN2CCN(C(C)C)[C@@H](C)C2)c(C#N)c1 ZINC001232969326 777745254 /nfs/dbraw/zinc/74/52/54/777745254.db2.gz PNEUQHJOBPDLOM-HNNXBMFYSA-N 0 3 271.408 2.781 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H](C)F)C1 ZINC001029465217 777762345 /nfs/dbraw/zinc/76/23/45/777762345.db2.gz RINYINVEKZAMAM-SOUVJXGZSA-N 0 3 294.414 2.766 20 30 CFEDHN C=CCN1CCC[C@@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC001040051810 777763410 /nfs/dbraw/zinc/76/34/10/777763410.db2.gz ALJMKBYQQKDXEG-MRXNPFEDSA-N 0 3 290.432 2.862 20 30 CFEDHN COCCN1CCC(Oc2ccc(Cl)cc2C#N)CC1 ZINC001227205133 777788916 /nfs/dbraw/zinc/78/89/16/777788916.db2.gz DJBUJOBQIAQKQQ-UHFFFAOYSA-N 0 3 294.782 2.701 20 30 CFEDHN COC(=O)C[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC001233082778 777792110 /nfs/dbraw/zinc/79/21/10/777792110.db2.gz ZGYJIHGQWRFJIQ-OAHLLOKOSA-N 0 3 286.375 2.642 20 30 CFEDHN CN(C)c1ccc(CN(C)CC2CCC2)c(F)c1C#N ZINC001233101040 777794852 /nfs/dbraw/zinc/79/48/52/777794852.db2.gz QJGWRZJLMHKANM-UHFFFAOYSA-N 0 3 275.371 2.995 20 30 CFEDHN N#C[C@@H]1CCCN(Cc2n[nH]c3cc(F)ccc32)CC1 ZINC001233123625 777802235 /nfs/dbraw/zinc/80/22/35/777802235.db2.gz ZTWFWSXZYBPIAE-LLVKDONJSA-N 0 3 272.327 2.828 20 30 CFEDHN COCOc1cccc(CN2CCC[C@@H](C#N)CC2)c1 ZINC001233281744 777861988 /nfs/dbraw/zinc/86/19/88/777861988.db2.gz OQHGQIQYXXQRBR-CQSZACIVSA-N 0 3 274.364 2.795 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C(C)(F)F)C1 ZINC001088248232 777918313 /nfs/dbraw/zinc/91/83/13/777918313.db2.gz LYCQSFCRDKDTKL-NSHDSACASA-N 0 3 294.773 2.755 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)C[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001075866560 777989090 /nfs/dbraw/zinc/98/90/90/777989090.db2.gz IHKKYXLKAVYVHE-HZSPNIEDSA-N 0 3 298.377 2.531 20 30 CFEDHN CN1CCC(Oc2ccc3sc(C#N)nc3c2)CC1 ZINC001233699070 778045715 /nfs/dbraw/zinc/04/57/15/778045715.db2.gz UINAMFMZVQDPMZ-UHFFFAOYSA-N 0 3 273.361 2.641 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233926411 778115447 /nfs/dbraw/zinc/11/54/47/778115447.db2.gz NECMVGLIVTURQX-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179901 778181515 /nfs/dbraw/zinc/18/15/15/778181515.db2.gz YGKLRWGFMOIODR-KRWDZBQOSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CC[C@@H](C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234243842 778192840 /nfs/dbraw/zinc/19/28/40/778192840.db2.gz MCTWISMDZQJQOV-LLVKDONJSA-N 0 3 265.328 2.687 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)C[C@H]1CCN1C(C)C ZINC001234275740 778198730 /nfs/dbraw/zinc/19/87/30/778198730.db2.gz FOEIUBONSNFKTC-MRXNPFEDSA-N 0 3 296.455 2.691 20 30 CFEDHN C#C[C@@H](Oc1cccc2c1CCN(C)C2)c1ccncc1 ZINC001234424074 778222737 /nfs/dbraw/zinc/22/27/37/778222737.db2.gz OOINPHFXTZMPHC-QGZVFWFLSA-N 0 3 278.355 2.823 20 30 CFEDHN C#C[C@H]1CCC[C@H]1Oc1cccc2c1CCN(C)C2 ZINC001234422686 778222766 /nfs/dbraw/zinc/22/27/66/778222766.db2.gz IVRULGCTLWSTDC-XJKSGUPXSA-N 0 3 255.361 2.855 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCC ZINC001234562348 778251991 /nfs/dbraw/zinc/25/19/91/778251991.db2.gz HIWQWOJVQSOPAY-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1CCCCOC ZINC001234554145 778252310 /nfs/dbraw/zinc/25/23/10/778252310.db2.gz GBDSKMSKGUDQET-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC001088572439 778273186 /nfs/dbraw/zinc/27/31/86/778273186.db2.gz OERHRWQSCSIFIO-UBDQQSCGSA-N 0 3 298.430 2.945 20 30 CFEDHN C=C(C)CN(CC)Cc1c[nH]c(C(=O)OCC)c1 ZINC001234948203 778337695 /nfs/dbraw/zinc/33/76/95/778337695.db2.gz DPOKIHVRDVPQHN-UHFFFAOYSA-N 0 3 250.342 2.589 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609150 778340142 /nfs/dbraw/zinc/34/01/42/778340142.db2.gz JIOBMQVRCGGYSY-UPJWGTAASA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088611351 778340337 /nfs/dbraw/zinc/34/03/37/778340337.db2.gz LRHXDAJLIZSJDD-UPJWGTAASA-N 0 3 286.366 2.577 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@H]1CCCC[C@H]1CC ZINC001272145438 778362787 /nfs/dbraw/zinc/36/27/87/778362787.db2.gz NJASVZWONPHLFG-CVEARBPZSA-N 0 3 278.440 2.616 20 30 CFEDHN N#CCCN1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001277936773 778455188 /nfs/dbraw/zinc/45/51/88/778455188.db2.gz OSVKGJMUFCWTOU-UHFFFAOYSA-N 0 3 289.345 2.640 20 30 CFEDHN CCCCCCCCCCN1CCN[C@@H](C(=O)OC)C1 ZINC001235441425 778490606 /nfs/dbraw/zinc/49/06/06/778490606.db2.gz DKNOVCFVRDOGIP-OAHLLOKOSA-N 0 3 284.444 2.574 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801473 778501572 /nfs/dbraw/zinc/50/15/72/778501572.db2.gz DNECZOHKMGXYCW-MCIONIFRSA-N 0 3 264.413 2.578 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC001088802432 778502434 /nfs/dbraw/zinc/50/24/34/778502434.db2.gz ADSUWIVKIVNTGF-HIFRSBDPSA-N 0 3 276.424 2.722 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001235517134 778510389 /nfs/dbraw/zinc/51/03/89/778510389.db2.gz XGKRXQQWZHSJGM-DOTOQJQBSA-N 0 3 270.376 2.754 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001235517136 778510663 /nfs/dbraw/zinc/51/06/63/778510663.db2.gz XGKRXQQWZHSJGM-RDJZCZTQSA-N 0 3 270.376 2.754 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001235523641 778511342 /nfs/dbraw/zinc/51/13/42/778511342.db2.gz SSRZUHNODLREIW-GOSISDBHSA-N 0 3 293.370 2.801 20 30 CFEDHN N#CCc1ccccc1CN1CCC[C@]2(CCO2)C1 ZINC001235526576 778511889 /nfs/dbraw/zinc/51/18/89/778511889.db2.gz DVVLFEIKYJFQNT-INIZCTEOSA-N 0 3 256.349 2.508 20 30 CFEDHN CC(C)(C)N1CCN(Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235658249 778530029 /nfs/dbraw/zinc/53/00/29/778530029.db2.gz IZGSWRMBHAHWJJ-UHFFFAOYSA-N 0 3 293.361 2.753 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235762309 778552999 /nfs/dbraw/zinc/55/29/99/778552999.db2.gz UIYQRSXQWHEIIK-GDBMZVCRSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001076147693 778572530 /nfs/dbraw/zinc/57/25/30/778572530.db2.gz RDWJHBJIXKWBMK-RRFJBIMHSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001076165016 778573945 /nfs/dbraw/zinc/57/39/45/778573945.db2.gz DUJLSUZVQGZBQH-LSDHHAIUSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccsc3)[C@@H]2C1 ZINC001076232263 778577274 /nfs/dbraw/zinc/57/72/74/778577274.db2.gz DRPZZMQCRBLBAK-KCQAQPDRSA-N 0 3 290.432 2.570 20 30 CFEDHN COc1ccc(C#N)cc1-c1cccc(CN(C)C)n1 ZINC001236536843 778869507 /nfs/dbraw/zinc/86/95/07/778869507.db2.gz SZLQOBYQBLVFCL-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)[C@H]1C ZINC001088885586 778935620 /nfs/dbraw/zinc/93/56/20/778935620.db2.gz FFKWUAJKNDBTJU-INMHGKMJSA-N 0 3 286.419 2.864 20 30 CFEDHN COc1cc(C)c(C[NH+]2CCC(CC#N)CC2)c([O-])c1 ZINC001236812193 778948719 /nfs/dbraw/zinc/94/87/19/778948719.db2.gz AHKMVVNZNLUPAW-UHFFFAOYSA-N 0 3 274.364 2.835 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC001088960754 778961425 /nfs/dbraw/zinc/96/14/25/778961425.db2.gz ATWKZTJQFYIERF-KFWWJZLASA-N 0 3 276.424 2.722 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC001088996315 778969966 /nfs/dbraw/zinc/96/99/66/778969966.db2.gz MOPKHDHKDLOHEY-DOMZBBRYSA-N 0 3 290.794 2.556 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017611 778974033 /nfs/dbraw/zinc/97/40/33/778974033.db2.gz NOARQLXTTGRJFV-WBVHZDCISA-N 0 3 284.403 2.519 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001278024152 778976312 /nfs/dbraw/zinc/97/63/12/778976312.db2.gz ANYDSSRSMRRDGH-RWBZWWBESA-N 0 3 290.451 2.663 20 30 CFEDHN CC#CCN[C@@H](C)CN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001278024151 778976481 /nfs/dbraw/zinc/97/64/81/778976481.db2.gz ANYDSSRSMRRDGH-NNGSBXSVSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1C ZINC001089061581 778983429 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/nfs/dbraw/zinc/13/48/46/779134846.db2.gz ORCHCIHYSKJEMF-UHFFFAOYSA-N 0 3 264.369 2.887 20 30 CFEDHN CN(Cc1cn2cc(C#N)ccc2n1)CC1CCCC1 ZINC001237607213 779140189 /nfs/dbraw/zinc/14/01/89/779140189.db2.gz SPLGBIYQLQJZRN-UHFFFAOYSA-N 0 3 268.364 2.828 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC1CC1 ZINC001234179902 779146074 /nfs/dbraw/zinc/14/60/74/779146074.db2.gz YGKLRWGFMOIODR-QGZVFWFLSA-N 0 3 288.435 2.679 20 30 CFEDHN COc1cc(CN(C)C)cc(F)c1O[C@@H](C)CS ZINC001234240977 779171411 /nfs/dbraw/zinc/17/14/11/779171411.db2.gz NKKZBXOSGQBMNO-VIFPVBQESA-N 0 3 273.373 2.593 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046415069 779174475 /nfs/dbraw/zinc/17/44/75/779174475.db2.gz MBZUSRUWZDCGEK-DOTOQJQBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCN(Cc1ccccc1)Cc1c[nH]ccc1=O ZINC001237840843 779193530 /nfs/dbraw/zinc/19/35/30/779193530.db2.gz QLVLZGZOJPCCMC-UHFFFAOYSA-N 0 3 268.360 2.953 20 30 CFEDHN C#CCN(C(=O)CCC(F)F)C1CCN(CC(=C)C)CC1 ZINC001278163111 779205989 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779771874 /nfs/dbraw/zinc/77/18/74/779771874.db2.gz YSXLVUFHZRHJHS-UHFFFAOYSA-N 0 3 298.430 2.570 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1ccoc1CC ZINC001272747241 779820253 /nfs/dbraw/zinc/82/02/53/779820253.db2.gz ITZKAHNBLFPDJC-NSHDSACASA-N 0 3 284.787 2.693 20 30 CFEDHN C=CCCC(=O)NC[C@@]1(C)CN([C@H](C)CCC=C)CCO1 ZINC001107802533 779902147 /nfs/dbraw/zinc/90/21/47/779902147.db2.gz TVXZWTDBAFFVML-WBVHZDCISA-N 0 3 294.439 2.514 20 30 CFEDHN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001032396741 779927501 /nfs/dbraw/zinc/92/75/01/779927501.db2.gz FDZUKXOVGUTHGN-ROUUACIJSA-N 0 3 298.430 2.575 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001032420954 779949809 /nfs/dbraw/zinc/94/98/09/779949809.db2.gz BNHGRBMYNCMMQR-GJZGRUSLSA-N 0 3 278.440 2.920 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1C=CC=CC=C1 ZINC001032428032 779955304 /nfs/dbraw/zinc/95/53/04/779955304.db2.gz VBLMLEXJFKKXDW-IRXDYDNUSA-N 0 3 284.403 2.536 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCCC1 ZINC001032472058 779962347 /nfs/dbraw/zinc/96/23/47/779962347.db2.gz KSVPBWVXCCWUMU-ULQDDVLXSA-N 0 3 288.435 2.984 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC2(CC2)CC1 ZINC001032523298 780011984 /nfs/dbraw/zinc/01/19/84/780011984.db2.gz RGIMMDHVAWZJJH-HOTGVXAUSA-N 0 3 288.435 2.818 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC=CCC1 ZINC001032566881 780040865 /nfs/dbraw/zinc/04/08/65/780040865.db2.gz YXSMIAMJVWCOEC-JYJNAYRXSA-N 0 3 274.408 2.594 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CCC2)C1 ZINC001032575506 780045775 /nfs/dbraw/zinc/04/57/75/780045775.db2.gz JYPXQYSROVUOSM-HOTGVXAUSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CC1 ZINC001032590881 780058427 /nfs/dbraw/zinc/05/84/27/780058427.db2.gz CKEWPYZIRWBUPN-GJZGRUSLSA-N 0 3 299.418 2.757 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032605958 780067159 /nfs/dbraw/zinc/06/71/59/780067159.db2.gz 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C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(C)n1 ZINC001272944473 780340776 /nfs/dbraw/zinc/34/07/76/780340776.db2.gz NKGAOBHKUFEZRT-IAGOWNOFSA-N 0 3 299.418 2.531 20 30 CFEDHN C=C(C)CCC(=O)NCCNCc1cc(C)ccc1OC ZINC001128413722 780432141 /nfs/dbraw/zinc/43/21/41/780432141.db2.gz LJTZVQJUINQTFD-UHFFFAOYSA-N 0 3 290.407 2.566 20 30 CFEDHN C=CCC1(C(=O)N[C@H](C)CCNCC(=C)Cl)CCC1 ZINC001273001393 780472001 /nfs/dbraw/zinc/47/20/01/780472001.db2.gz GKGDZVODLZRGSE-CYBMUJFWSA-N 0 3 284.831 2.970 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2scnc2C)C1 ZINC001032933568 780517136 /nfs/dbraw/zinc/51/71/36/780517136.db2.gz YZJUXQCEYGVSRZ-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cscc2C)C1 ZINC001032987717 780524025 /nfs/dbraw/zinc/52/40/25/780524025.db2.gz RUPASLCITKSFDA-ZDUSSCGKSA-N 0 3 278.421 2.779 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033145593 780580623 /nfs/dbraw/zinc/58/06/23/780580623.db2.gz ITWZWGSYMDHHME-CYBMUJFWSA-N 0 3 294.345 2.687 20 30 CFEDHN C=CCO[C@H]1CCN(Cc2ccc(OC)c(OC)c2C)C1 ZINC001117627491 780583211 /nfs/dbraw/zinc/58/32/11/780583211.db2.gz XTIVNPLBWGTYBL-HNNXBMFYSA-N 0 3 291.391 2.789 20 30 CFEDHN C=C(C)CCC(=O)NCC1(NCc2cccnc2)CCC1 ZINC001273091512 780588554 /nfs/dbraw/zinc/58/85/54/780588554.db2.gz VPXGPMJAVRSNCB-UHFFFAOYSA-N 0 3 287.407 2.566 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033342124 780660489 /nfs/dbraw/zinc/66/04/89/780660489.db2.gz RUPXENICJKLLFF-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001033397991 780672645 /nfs/dbraw/zinc/67/26/45/780672645.db2.gz WEDUUTNXZBAIHV-HLLBOEOZSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001033390032 780674107 /nfs/dbraw/zinc/67/41/07/780674107.db2.gz HOHXVUVFUROKAI-QGZVFWFLSA-N 0 3 286.419 2.565 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033465793 780690729 /nfs/dbraw/zinc/69/07/29/780690729.db2.gz LQQAGZXXZRLUCD-AEFFLSMTSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033489590 780697317 /nfs/dbraw/zinc/69/73/17/780697317.db2.gz IVPDOJROMBZFBD-OWCLPIDISA-N 0 3 276.424 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033609364 780730746 /nfs/dbraw/zinc/73/07/46/780730746.db2.gz LRPONPLPEXTDHJ-CYBMUJFWSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033737932 780769319 /nfs/dbraw/zinc/76/93/19/780769319.db2.gz UNKCOFZMUZGFHF-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCCN1CC[C@H](N(CC)C(=O)c2cccs2)C1 ZINC001033735822 780770011 /nfs/dbraw/zinc/77/00/11/780770011.db2.gz UGDAMILNOJWTRV-ZDUSSCGKSA-N 0 3 278.421 2.861 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033734523 780770036 /nfs/dbraw/zinc/77/00/36/780770036.db2.gz DXJAWABJCXUWLZ-INIZCTEOSA-N 0 3 290.382 2.938 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033737936 780770083 /nfs/dbraw/zinc/77/00/83/780770083.db2.gz UNKCOFZMUZGFHF-MRXNPFEDSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cc(C)sn2)CC1 ZINC001005328308 780775114 /nfs/dbraw/zinc/77/51/14/780775114.db2.gz MQIWPUXZIGMTEA-UHFFFAOYSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnccc2C)C1 ZINC001033779746 780788819 /nfs/dbraw/zinc/78/88/19/780788819.db2.gz CEQMCBQFGQIARR-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033924633 780824069 /nfs/dbraw/zinc/82/40/69/780824069.db2.gz DQKYTXLTDKHVTR-HUUCEWRRSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926471 780824168 /nfs/dbraw/zinc/82/41/68/780824168.db2.gz CUUUTYIXOMCEFA-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN Cc1ccc(CNCc2ccncc2C)cc1C#N ZINC000701824455 780844095 /nfs/dbraw/zinc/84/40/95/780844095.db2.gz VIEGSLARPBUSDE-UHFFFAOYSA-N 0 3 251.333 2.860 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CC[C@H]1SC ZINC000701945059 780853781 /nfs/dbraw/zinc/85/37/81/780853781.db2.gz OLGLQUFFGGPUSV-UKRRQHHQSA-N 0 3 261.390 2.682 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034032132 780860213 /nfs/dbraw/zinc/86/02/13/780860213.db2.gz MEUIJLAGOFNUEZ-GOSISDBHSA-N 0 3 298.430 2.863 20 30 CFEDHN C#C[C@@H](NCc1cc2c(c(OC)c1)OCO2)C(C)(C)C ZINC000702251459 780900461 /nfs/dbraw/zinc/90/04/61/780900461.db2.gz WYRCMQPPJWZCOM-CQSZACIVSA-N 0 3 275.348 2.561 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001034152901 780909254 /nfs/dbraw/zinc/90/92/54/780909254.db2.gz ASZPAGRAMZSJSA-ZDUSSCGKSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034167780 780913472 /nfs/dbraw/zinc/91/34/72/780913472.db2.gz OJNSRJLAPDAQCH-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034217222 780924653 /nfs/dbraw/zinc/92/46/53/780924653.db2.gz PNLPRIMZNGRSCS-LTIDMASMSA-N 0 3 288.435 2.745 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034265353 780935772 /nfs/dbraw/zinc/93/57/72/780935772.db2.gz KDWKKEMYKIUYOD-GOEBONIOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034271928 780937113 /nfs/dbraw/zinc/93/71/13/780937113.db2.gz KDVODODWQGVVOK-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034276930 780938100 /nfs/dbraw/zinc/93/81/00/780938100.db2.gz TWOBEOUERYHNEU-ZDUSSCGKSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccnc2C)C1 ZINC001034373095 780956595 /nfs/dbraw/zinc/95/65/95/780956595.db2.gz QFKDUBUGJAWOAZ-HNNXBMFYSA-N 0 3 287.407 2.550 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034374309 780956688 /nfs/dbraw/zinc/95/66/88/780956688.db2.gz ZAWSZILACLUTHL-FUHWJXTLSA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034425261 780967887 /nfs/dbraw/zinc/96/78/87/780967887.db2.gz PKZKMAMTNYEYCN-HUUCEWRRSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001034497266 780984598 /nfs/dbraw/zinc/98/45/98/780984598.db2.gz QOHXNWYSOIMGMJ-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001034548713 780997135 /nfs/dbraw/zinc/99/71/35/780997135.db2.gz SIWCRBHJMATIOT-INIZCTEOSA-N 0 3 298.430 2.946 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001034548714 780997478 /nfs/dbraw/zinc/99/74/78/780997478.db2.gz SIWCRBHJMATIOT-MRXNPFEDSA-N 0 3 298.430 2.946 20 30 CFEDHN C#C[C@@H](NCc1ccc2c(c1)OCCO2)C(C)(C)C ZINC000705307092 781137765 /nfs/dbraw/zinc/13/77/65/781137765.db2.gz VQFXXIJVADSTBB-OAHLLOKOSA-N 0 3 259.349 2.595 20 30 CFEDHN C[C@@H](C#N)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707919393 781259040 /nfs/dbraw/zinc/25/90/40/781259040.db2.gz VJCIDNVJCYKTIQ-XUXIUFHCSA-N 0 3 293.411 2.524 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1SC(F)F ZINC000709471916 781311673 /nfs/dbraw/zinc/31/16/73/781311673.db2.gz MWIFWDLIHJAHTN-VIFPVBQESA-N 0 3 299.346 2.961 20 30 CFEDHN CN(Cc1ccc(-c2cncc(C#N)c2)nc1)C1CC1 ZINC001242274638 781357290 /nfs/dbraw/zinc/35/72/90/781357290.db2.gz XCOCVPGMHSDRJB-UHFFFAOYSA-N 0 3 264.332 2.609 20 30 CFEDHN COc1cccc(-c2cc(CN(C)C)ccn2)c1C#N ZINC001242299113 781379790 /nfs/dbraw/zinc/37/97/90/781379790.db2.gz VWWQCCNSSHUCFG-UHFFFAOYSA-N 0 3 267.332 2.690 20 30 CFEDHN CC1(C)CC[C@@H](CNCC#Cc2ccccc2)OC1 ZINC000711375152 781417475 /nfs/dbraw/zinc/41/74/75/781417475.db2.gz ALJXSBAKIHKQOE-INIZCTEOSA-N 0 3 257.377 2.833 20 30 CFEDHN C#CCNC1(CNC(=O)c2sccc2C2CC2)CCC1 ZINC001273195315 781569719 /nfs/dbraw/zinc/56/97/19/781569719.db2.gz QHYDJTFMNKKAIQ-UHFFFAOYSA-N 0 3 288.416 2.501 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@@H](C)c2ccccc2)CCC1 ZINC001273195787 781577794 /nfs/dbraw/zinc/57/77/94/781577794.db2.gz VKGFFDPQVZAMDX-MRXNPFEDSA-N 0 3 298.430 2.832 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001079853114 781622444 /nfs/dbraw/zinc/62/24/44/781622444.db2.gz FNWUFVRULCCLOU-IAQYHMDHSA-N 0 3 294.345 2.591 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001080083354 781634987 /nfs/dbraw/zinc/63/49/87/781634987.db2.gz XFGSQWXOINLPRB-MLGOLLRUSA-N 0 3 297.402 2.712 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001080338367 781651885 /nfs/dbraw/zinc/65/18/85/781651885.db2.gz ZVJFWMHOGZVJBC-IUODEOHRSA-N 0 3 288.391 2.783 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001080795221 781679066 /nfs/dbraw/zinc/67/90/66/781679066.db2.gz HNQJTBZWTMRDCY-RDTXWAMCSA-N 0 3 296.414 2.882 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001080910699 781684539 /nfs/dbraw/zinc/68/45/39/781684539.db2.gz NLVAXFQPIYNPOO-CXAGYDPISA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001080896329 781686613 /nfs/dbraw/zinc/68/66/13/781686613.db2.gz XTRQNHCXUGILCQ-NVXWUHKLSA-N 0 3 298.430 2.731 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001080962453 781687881 /nfs/dbraw/zinc/68/78/81/781687881.db2.gz FKCZHMMKVAOBDR-UKRRQHHQSA-N 0 3 290.382 2.679 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001084588759 781807097 /nfs/dbraw/zinc/80/70/97/781807097.db2.gz KODZYVCLYLZJGB-BZUAXINKSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)C1 ZINC001084646050 781817436 /nfs/dbraw/zinc/81/74/36/781817436.db2.gz QZNMPFIWCPVDBM-HZPDHXFCSA-N 0 3 288.435 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001084767883 781832669 /nfs/dbraw/zinc/83/26/69/781832669.db2.gz MVMRQNGFJPCAPQ-USXIJHARSA-N 0 3 290.451 2.922 20 30 CFEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)CC(C)C ZINC001273243592 781864250 /nfs/dbraw/zinc/86/42/50/781864250.db2.gz YDSPYRXCNVNCMG-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCC ZINC001230855051 781875701 /nfs/dbraw/zinc/87/57/01/781875701.db2.gz GXVGPGNFILOFEZ-HZPDHXFCSA-N 0 3 298.471 2.915 20 30 CFEDHN COCCOC[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594511309 349435621 /nfs/dbraw/zinc/43/56/21/349435621.db2.gz FKIWNRQUFFCMSU-AWEZNQCLSA-N 0 3 290.407 2.629 20 30 CFEDHN N#Cc1c2c(cnc1N[C@@H]1CCCN3CCCC[C@@H]13)CCC2 ZINC000594598787 349457081 /nfs/dbraw/zinc/45/70/81/349457081.db2.gz HUVVQHCHLBQNTG-SJORKVTESA-N 0 3 296.418 2.871 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC000594599418 349457303 /nfs/dbraw/zinc/45/73/03/349457303.db2.gz JQRQDXKXRHKNEL-HZPDHXFCSA-N 0 3 284.407 2.999 20 30 CFEDHN Cc1ccnc(N[C@H]2CCCN3CCCC[C@@H]23)c1C#N ZINC000594601241 349458344 /nfs/dbraw/zinc/45/83/44/349458344.db2.gz MUNCNPNPYHCVNH-GJZGRUSLSA-N 0 3 270.380 2.691 20 30 CFEDHN N#CCc1cccc(C(=O)N2CCNC3(CCCCC3)C2)c1 ZINC000594628698 349466621 /nfs/dbraw/zinc/46/66/21/349466621.db2.gz BEAPCNJYHAHCHX-UHFFFAOYSA-N 0 3 297.402 2.501 20 30 CFEDHN N#Cc1cccc(CNc2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000594738893 349485323 /nfs/dbraw/zinc/48/53/23/349485323.db2.gz IWKIJJRLJLCGDM-SFHVURJKSA-N 0 3 293.370 2.831 20 30 CFEDHN C[C@@H](N[C@H]1COC2(CCC2)C1)c1ccc(C#N)cc1 ZINC000594733227 349482868 /nfs/dbraw/zinc/48/28/68/349482868.db2.gz ZROTYJGAHDHPBN-IUODEOHRSA-N 0 3 256.349 2.920 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000067704698 346815708 /nfs/dbraw/zinc/81/57/08/346815708.db2.gz XPSQFVPGSDUYNR-UHFFFAOYSA-N 0 3 294.757 2.763 20 30 CFEDHN COCC(C)(C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594928252 349512970 /nfs/dbraw/zinc/51/29/70/349512970.db2.gz UHQPDYVZIRSKJZ-UHFFFAOYSA-N 0 3 258.365 2.756 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCC[C@H](SC)C2)nn1 ZINC000594928103 349513044 /nfs/dbraw/zinc/51/30/44/349513044.db2.gz ZMPLKLKXPMAUAX-OCCSQVGLSA-N 0 3 280.441 2.618 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C2(C#N)CC2)cc1)C(F)(F)F ZINC000594938990 349519159 /nfs/dbraw/zinc/51/91/59/349519159.db2.gz USXTYRVHPLXTKZ-CYBMUJFWSA-N 0 3 298.308 2.645 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@H]2C[C@H]2C(=O)OC)cc1 ZINC000594940116 349520159 /nfs/dbraw/zinc/52/01/59/349520159.db2.gz HMFNVCWNBVOJLD-DAXOMENPSA-N 0 3 289.375 2.539 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnn2c1CCC2 ZINC000594952120 349526329 /nfs/dbraw/zinc/52/63/29/349526329.db2.gz WCXXEOJTPGNBIZ-QGZVFWFLSA-N 0 3 292.386 2.868 20 30 CFEDHN N#Cc1ccc(CCNCc2cccc3c2OCCO3)cc1 ZINC000594955053 349527074 /nfs/dbraw/zinc/52/70/74/349527074.db2.gz MCEBIRVEBQJBQS-UHFFFAOYSA-N 0 3 294.354 2.662 20 30 CFEDHN N#CC1(c2ccc(CN[C@@H]3C[C@H]4CC[C@@H]3O4)cc2)CC1 ZINC000594947840 349524341 /nfs/dbraw/zinc/52/43/41/349524341.db2.gz HAGJNQYYEGQBPO-OAGGEKHMSA-N 0 3 268.360 2.651 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000594958325 349529135 /nfs/dbraw/zinc/52/91/35/349529135.db2.gz PTWRNRIWSKDHEZ-XZDPQHSOSA-N 0 3 286.375 2.819 20 30 CFEDHN CC(C)(C)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC000594957210 349529229 /nfs/dbraw/zinc/52/92/29/349529229.db2.gz PYRXHQWCBFEDHF-NSHDSACASA-N 0 3 263.410 2.582 20 30 CFEDHN COc1ccc(CNC[C@@H](c2ccco2)N(C)C)cc1C#N ZINC000124927052 187161615 /nfs/dbraw/zinc/16/16/15/187161615.db2.gz SAEYWBJJZQKZIZ-HNNXBMFYSA-N 0 3 299.374 2.552 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNCc1cc(C#N)cs1 ZINC000594963997 349532048 /nfs/dbraw/zinc/53/20/48/349532048.db2.gz NKMFSCTVTFSNBG-GFCCVEGCSA-N 0 3 263.410 2.582 20 30 CFEDHN CSCC1(CCNCc2ccc(C#N)o2)CC1 ZINC000594963296 349532612 /nfs/dbraw/zinc/53/26/12/349532612.db2.gz MCVVXFIUUFOHCY-UHFFFAOYSA-N 0 3 250.367 2.774 20 30 CFEDHN Cc1ccncc1CCNCc1ccc(C#N)s1 ZINC000594969631 349535184 /nfs/dbraw/zinc/53/51/84/349535184.db2.gz XLRYADRFMWBHPZ-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C[C@H]1C[C@@H](NCC2(C#N)CCCCC2)CN1C1CC1 ZINC000594981464 349537894 /nfs/dbraw/zinc/53/78/94/349537894.db2.gz QRPLSAXPQUGAAM-UONOGXRCSA-N 0 3 261.413 2.675 20 30 CFEDHN C[C@H]1CCC[C@@H](CNCc2cc(C#N)cs2)O1 ZINC000594986018 349538971 /nfs/dbraw/zinc/53/89/71/349538971.db2.gz RPWWLOCXBJLAEC-JQWIXIFHSA-N 0 3 250.367 2.667 20 30 CFEDHN Cc1cc(CNC[C@@H]2CCC[C@@H](C)O2)ccc1C#N ZINC000594985446 349539180 /nfs/dbraw/zinc/53/91/80/349539180.db2.gz MUQITRSYLPUNDX-CJNGLKHVSA-N 0 3 258.365 2.914 20 30 CFEDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCCC#N ZINC000595010939 349548129 /nfs/dbraw/zinc/54/81/29/349548129.db2.gz KGDLMCJEVHFKNH-NSHDSACASA-N 0 3 277.324 2.948 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)s1)C1CCCC1 ZINC000594994621 349541956 /nfs/dbraw/zinc/54/19/56/349541956.db2.gz MWCQNYTZBBAEIE-AWEZNQCLSA-N 0 3 264.394 2.915 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN2Cc2ccccc2)o1 ZINC000594999168 349543174 /nfs/dbraw/zinc/54/31/74/349543174.db2.gz PAXHUOXHKUKQLH-HNNXBMFYSA-N 0 3 281.359 2.515 20 30 CFEDHN CC1(C)C[C@H](N[C@H]2CCc3ccc(C#N)cc32)CO1 ZINC000595049817 349564580 /nfs/dbraw/zinc/56/45/80/349564580.db2.gz PAMVFMASHXGUSO-ZFWWWQNUSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@@H](N[C@@H](C)C1(CO)CC1)c1ccc(C#N)c(F)c1 ZINC000595069966 349573447 /nfs/dbraw/zinc/57/34/47/349573447.db2.gz UGEBQYSVKBEGMW-MNOVXSKESA-N 0 3 262.328 2.509 20 30 CFEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000595056309 349568260 /nfs/dbraw/zinc/56/82/60/349568260.db2.gz UVMDTXQQLOUSCU-OAHLLOKOSA-N 0 3 268.364 2.575 20 30 CFEDHN C=CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595057133 349568627 /nfs/dbraw/zinc/56/86/27/349568627.db2.gz AOMXPGYBAGSBOR-JTQLQIEISA-N 0 3 250.298 2.830 20 30 CFEDHN C=CCCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083250774 178368343 /nfs/dbraw/zinc/36/83/43/178368343.db2.gz QNWQJWAKNIRGFT-UHFFFAOYSA-N 0 3 286.419 2.730 20 30 CFEDHN COC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000595066236 349572480 /nfs/dbraw/zinc/57/24/80/349572480.db2.gz GVMKJORDRZKWRX-XPKDYRNWSA-N 0 3 274.364 2.665 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595078015 349576365 /nfs/dbraw/zinc/57/63/65/349576365.db2.gz RURGFEYHRGGQKF-LBPRGKRZSA-N 0 3 294.351 2.847 20 30 CFEDHN C[C@H](NC[C@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000595088107 349577395 /nfs/dbraw/zinc/57/73/95/349577395.db2.gz GKBATDWLBYMYDO-WCQYABFASA-N 0 3 276.355 2.757 20 30 CFEDHN C[C@@H](NCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000595091233 349578023 /nfs/dbraw/zinc/57/80/23/349578023.db2.gz OJHDMENFJKDOET-ZIAGYGMSSA-N 0 3 250.386 2.865 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1C[C@H](O)C12CCC2 ZINC000595091929 349579126 /nfs/dbraw/zinc/57/91/26/349579126.db2.gz UURJCNOMEOSBHD-ULQDDVLXSA-N 0 3 282.387 2.829 20 30 CFEDHN Cc1cccc(C)c1[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000595251440 349587212 /nfs/dbraw/zinc/58/72/12/349587212.db2.gz VTFKAVOULHUWDI-JKSUJKDBSA-N 0 3 299.418 2.988 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC2(CCCC2)CC1 ZINC000595255505 349587936 /nfs/dbraw/zinc/58/79/36/349587936.db2.gz DZXZNCPDAHINEG-AWEZNQCLSA-N 0 3 277.412 2.580 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000595310514 349599556 /nfs/dbraw/zinc/59/95/56/349599556.db2.gz DEUNBFCULRVSEG-SJORKVTESA-N 0 3 269.392 2.811 20 30 CFEDHN CC[C@H]1CO[C@H](C)CN1CCc1ccc(C#N)cc1 ZINC000595290564 349592356 /nfs/dbraw/zinc/59/23/56/349592356.db2.gz MBARTEVZHFMQDK-CJNGLKHVSA-N 0 3 258.365 2.600 20 30 CFEDHN N#Cc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 ZINC000595291073 349592726 /nfs/dbraw/zinc/59/27/26/349592726.db2.gz XLGLVNSYUTZEHC-UHFFFAOYSA-N 0 3 291.398 2.923 20 30 CFEDHN Cc1cccc(CN(C)CCc2ccc(C#N)cc2)n1 ZINC000595378170 349612127 /nfs/dbraw/zinc/61/21/27/349612127.db2.gz VTYXOJZJRIZPMJ-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN N#Cc1cccc(C2(NCCO[C@@H]3CC3(F)F)CC2)c1 ZINC000595416696 349618923 /nfs/dbraw/zinc/61/89/23/349618923.db2.gz JNFICJXHUHLHOY-CYBMUJFWSA-N 0 3 278.302 2.561 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1ccc(C#N)cc1 ZINC000595411313 349619157 /nfs/dbraw/zinc/61/91/57/349619157.db2.gz GQKFTCMTWSHJEP-NKKGCODLSA-N 0 3 297.402 2.656 20 30 CFEDHN C[C@]1(NCc2cccc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000273103890 192044650 /nfs/dbraw/zinc/04/46/50/192044650.db2.gz WFECCGGNSNKQQG-CVEARBPZSA-N 0 3 256.349 2.605 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)cc2)CCO[C@H]1C1CC1 ZINC000273115687 192047586 /nfs/dbraw/zinc/04/75/86/192047586.db2.gz YLMYBKBPDOISTJ-JKSUJKDBSA-N 0 3 256.349 2.605 20 30 CFEDHN N#Cc1ccc(CNC2(CCO)CCCC2)c(Cl)c1 ZINC000595508046 349645559 /nfs/dbraw/zinc/64/55/59/349645559.db2.gz FNPGYAWYZHQFPK-UHFFFAOYSA-N 0 3 278.783 2.996 20 30 CFEDHN N#Cc1ccc(CCN2CCOC[C@@H]2C2CCC2)cc1 ZINC000595560481 349659655 /nfs/dbraw/zinc/65/96/55/349659655.db2.gz YQEBWQUBTZOAER-QGZVFWFLSA-N 0 3 270.376 2.602 20 30 CFEDHN CC[C@H](C)CN1CCN(c2ccsc2C#N)CC1 ZINC000595630358 349684207 /nfs/dbraw/zinc/68/42/07/349684207.db2.gz VLZJLUMREXAJPO-LBPRGKRZSA-N 0 3 263.410 2.788 20 30 CFEDHN CC(C)(NC[C@@H]1CCCCO1)c1cccc(C#N)c1 ZINC000595637305 349684665 /nfs/dbraw/zinc/68/46/65/349684665.db2.gz WSOMTBBJINSAKU-HNNXBMFYSA-N 0 3 258.365 2.952 20 30 CFEDHN C[C@@H]1CC[C@@H](CNC(C)(C)c2cccc(C#N)c2)O1 ZINC000595638383 349685383 /nfs/dbraw/zinc/68/53/83/349685383.db2.gz CMAPAACTYKBQJR-DOMZBBRYSA-N 0 3 258.365 2.950 20 30 CFEDHN C=CCN(CC(=O)NCC(F)(F)F)CC1CCCCC1 ZINC000069859801 346902323 /nfs/dbraw/zinc/90/23/23/346902323.db2.gz IFJGFJOJPBHUPR-UHFFFAOYSA-N 0 3 292.345 2.733 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cccc(C(=O)OC)n2)C1 ZINC000595658978 349691971 /nfs/dbraw/zinc/69/19/71/349691971.db2.gz LFUYRPHWBVGGNR-ZDUSSCGKSA-N 0 3 274.364 2.656 20 30 CFEDHN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000595671325 349695588 /nfs/dbraw/zinc/69/55/88/349695588.db2.gz PVDXTEMNNKDMFP-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000595676796 349696722 /nfs/dbraw/zinc/69/67/22/349696722.db2.gz OPGIDERZWRXCBM-LRDDRELGSA-N 0 3 276.355 2.680 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](C)[C@H]1CCO ZINC000595694665 349706049 /nfs/dbraw/zinc/70/60/49/349706049.db2.gz DSVOWXSELVNVGN-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN C=C(C)CN[C@H](CO)c1ccc(Br)cc1 ZINC000273145494 192057204 /nfs/dbraw/zinc/05/72/04/192057204.db2.gz VPKIGSJERKFXES-GFCCVEGCSA-N 0 3 270.170 2.648 20 30 CFEDHN Cc1oc(NC(=O)CNC2(CC(C)C)CC2)c(C#N)c1C ZINC000595830532 349744769 /nfs/dbraw/zinc/74/47/69/349744769.db2.gz HPVZAQHPXPCBJJ-UHFFFAOYSA-N 0 3 289.379 2.875 20 30 CFEDHN CC[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000595764371 349726642 /nfs/dbraw/zinc/72/66/42/349726642.db2.gz ASAAPHNAAAPNGA-AWEZNQCLSA-N 0 3 291.782 2.928 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)c(Cl)c1 ZINC000595779490 349730984 /nfs/dbraw/zinc/73/09/84/349730984.db2.gz FQQXLWGXUTUEHP-KGLIPLIRSA-N 0 3 276.767 2.605 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595785030 349732601 /nfs/dbraw/zinc/73/26/01/349732601.db2.gz VTYHRNGNPFKYGP-HZPDHXFCSA-N 0 3 284.403 2.881 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000595784588 349732865 /nfs/dbraw/zinc/73/28/65/349732865.db2.gz SFEZPVCAFGNARJ-RRFJBIMHSA-N 0 3 279.428 2.505 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)CC1=CCSC1 ZINC000595888492 349762197 /nfs/dbraw/zinc/76/21/97/349762197.db2.gz NFPCBTCFLKBIPC-UHFFFAOYSA-N 0 3 288.416 2.932 20 30 CFEDHN CC1(C)C[C@@]1(NCCOCCC#N)c1ccccc1 ZINC000595910902 349767695 /nfs/dbraw/zinc/76/76/95/349767695.db2.gz UFVFSCZIVRTHDL-MRXNPFEDSA-N 0 3 258.365 2.832 20 30 CFEDHN CN(CC1=CCSC1)Cc1ccc(CC#N)cc1 ZINC000595890179 349762947 /nfs/dbraw/zinc/76/29/47/349762947.db2.gz ZEASSQWJMYMPCZ-UHFFFAOYSA-N 0 3 258.390 2.858 20 30 CFEDHN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595907553 349766119 /nfs/dbraw/zinc/76/61/19/349766119.db2.gz ANLTTYITUMOMLM-ZDUSSCGKSA-N 0 3 273.336 2.944 20 30 CFEDHN CCCN(CCC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000070926505 346915836 /nfs/dbraw/zinc/91/58/36/346915836.db2.gz WOSXQQWHEUTLMI-UHFFFAOYSA-N 0 3 279.428 2.793 20 30 CFEDHN CC(C)CC1(NCC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000595835702 349748392 /nfs/dbraw/zinc/74/83/92/349748392.db2.gz WOWBDJQXWOBDAS-UHFFFAOYSA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C)NC(=O)[C@@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000595851840 349754924 /nfs/dbraw/zinc/75/49/24/349754924.db2.gz VKUHCTDIRSTNQI-RHSMWYFYSA-N 0 3 299.418 2.856 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856428 349756397 /nfs/dbraw/zinc/75/63/97/349756397.db2.gz CDFJGBBHRDRDIY-ZHSRIRAXSA-N 0 3 291.439 2.692 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCCC[C@H]1CC1CCC1 ZINC000595870296 349757981 /nfs/dbraw/zinc/75/79/81/349757981.db2.gz GYSRBHDPZNHOBT-INIZCTEOSA-N 0 3 291.439 2.793 20 30 CFEDHN CC12CC(C1)CN2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595918404 349768565 /nfs/dbraw/zinc/76/85/65/349768565.db2.gz BGJYZAFIZQYPKB-BFHRDPOASA-N 0 3 295.386 2.538 20 30 CFEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)[C@H]1c1cccs1 ZINC000595947485 349772238 /nfs/dbraw/zinc/77/22/38/349772238.db2.gz MCZMGWZMJQYZDG-YPMHNXCESA-N 0 3 291.420 2.679 20 30 CFEDHN C[C@@H]1CCCN(CCNc2nc3ncccc3cc2C#N)C1 ZINC000596076195 349788143 /nfs/dbraw/zinc/78/81/43/349788143.db2.gz MPMQWFGTIKKWCN-CYBMUJFWSA-N 0 3 295.390 2.645 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2c(C#N)cnn2C)C1 ZINC000596087460 349791460 /nfs/dbraw/zinc/79/14/60/349791460.db2.gz FSWUYQCZPQGLJX-CJNGLKHVSA-N 0 3 295.390 2.539 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000347198270 529656685 /nfs/dbraw/zinc/65/66/85/529656685.db2.gz VQSUFVUUUJXSCL-RNFRBKRXSA-N 0 3 291.298 2.889 20 30 CFEDHN CC[C@@H](NCCOCCF)c1ccc(C#N)cc1 ZINC000596094981 349793548 /nfs/dbraw/zinc/79/35/48/349793548.db2.gz MNCLGNSFNIKXDP-CQSZACIVSA-N 0 3 250.317 2.585 20 30 CFEDHN CCCN1CCC(N(C)c2nc(C#N)c(Cl)s2)CC1 ZINC000596097721 349794804 /nfs/dbraw/zinc/79/48/04/349794804.db2.gz JWMUHWLXWMSXSN-UHFFFAOYSA-N 0 3 298.843 2.979 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CCc2ccccc2)s1 ZINC000273156851 192060177 /nfs/dbraw/zinc/06/01/77/192060177.db2.gz SISTZHRBBHXYFE-AWEZNQCLSA-N 0 3 286.400 2.703 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cnccc2C(F)(F)F)C1 ZINC000596118390 349798698 /nfs/dbraw/zinc/79/86/98/349798698.db2.gz YAXDDQPLDHRMMZ-GXSJLCMTSA-N 0 3 269.270 2.882 20 30 CFEDHN CCN1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)[C@@H](C)C1 ZINC000596135845 349803652 /nfs/dbraw/zinc/80/36/52/349803652.db2.gz BVFYJVSRPCUBPF-ONGXEEELSA-N 0 3 298.843 2.835 20 30 CFEDHN COc1cccc2c1CC[C@H](NCC(C)(C)C#N)C2 ZINC000617315641 352535269 /nfs/dbraw/zinc/53/52/69/352535269.db2.gz SGOZUOYJIAVZBC-ZDUSSCGKSA-N 0 3 258.365 2.692 20 30 CFEDHN C[C@H]1[C@H](N2CCCC2)CCN1c1nc(C#N)c(Cl)s1 ZINC000596231042 349834741 /nfs/dbraw/zinc/83/47/41/349834741.db2.gz GFRIYTWZNKQLFZ-GXSJLCMTSA-N 0 3 296.827 2.731 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1O ZINC000352692745 529822906 /nfs/dbraw/zinc/82/29/06/529822906.db2.gz GRQBVOWSKYBSOL-GJZGRUSLSA-N 0 3 263.768 2.537 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1ccnc(C#N)c1 ZINC000290612886 197765760 /nfs/dbraw/zinc/76/57/60/197765760.db2.gz KMWZCJXTPOSALO-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN N#CCSCCCN1CC[C@@H](Oc2ccccc2)C1 ZINC000074990988 347046171 /nfs/dbraw/zinc/04/61/71/347046171.db2.gz SFXZPMRHGVJCPV-OAHLLOKOSA-N 0 3 276.405 2.787 20 30 CFEDHN CC[C@H]1C[C@H](C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000075022332 347048402 /nfs/dbraw/zinc/04/84/02/347048402.db2.gz INICAGGOVZDSSB-GJZGRUSLSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@@H]1CC ZINC000075022312 347048793 /nfs/dbraw/zinc/04/87/93/347048793.db2.gz MMXDHBPJEGFMNK-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN CCN(CC)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000075535968 347082897 /nfs/dbraw/zinc/08/28/97/347082897.db2.gz QOFKRJBNONDUHB-IAGOWNOFSA-N 0 3 299.418 2.627 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@](C)(COC)C2)cc1 ZINC000295104674 199346777 /nfs/dbraw/zinc/34/67/77/199346777.db2.gz KWLCJYNQOABSBE-KRWDZBQOSA-N 0 3 273.376 2.557 20 30 CFEDHN Cc1noc(C)c1[C@H](C)CNCc1ccc(C#N)o1 ZINC000128324531 187363562 /nfs/dbraw/zinc/36/35/62/187363562.db2.gz JAWTVUMMHCCRET-SECBINFHSA-N 0 3 259.309 2.649 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000128319060 187363871 /nfs/dbraw/zinc/36/38/71/187363871.db2.gz AASRBBOZKJIBBO-MRXNPFEDSA-N 0 3 286.375 2.724 20 30 CFEDHN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN1C1CCCC1 ZINC000328799516 539524685 /nfs/dbraw/zinc/52/46/85/539524685.db2.gz HHCWSACAALHOEZ-ILXRZTDVSA-N 0 3 280.412 2.653 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCOc1ccc(Cl)cc1 ZINC000677047959 539531755 /nfs/dbraw/zinc/53/17/55/539531755.db2.gz LVBJXFDNTIWUNN-AWEZNQCLSA-N 0 3 269.772 2.588 20 30 CFEDHN CCN(CC(=O)N(C)C1(C#N)CCCCC1)CC(C)C ZINC000046064742 346418980 /nfs/dbraw/zinc/41/89/80/346418980.db2.gz YTBCHVDUMHCRAM-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN N#Cc1ccccc1CN(C[C@H]1CCOC1)C1CC1 ZINC000046092315 346419648 /nfs/dbraw/zinc/41/96/48/346419648.db2.gz HVLKZUCSUNYUGX-CYBMUJFWSA-N 0 3 256.349 2.559 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1F)C[C@@H]1CCOC1 ZINC000047726326 346458196 /nfs/dbraw/zinc/45/81/96/346458196.db2.gz XLTBUNJYSKMGFM-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN CC(C)CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000047912071 346461028 /nfs/dbraw/zinc/46/10/28/346461028.db2.gz IFIQRVIZLPDPIH-MRXNPFEDSA-N 0 3 279.428 2.551 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000050026186 346488796 /nfs/dbraw/zinc/48/87/96/346488796.db2.gz UPYKMBRJGPMABE-UHFFFAOYSA-N 0 3 270.376 2.587 20 30 CFEDHN C=C(C)CN(CC)Cc1cccc(C(=O)N(C)C)c1 ZINC000050049696 346488961 /nfs/dbraw/zinc/48/89/61/346488961.db2.gz IWHSOAURNDOLOI-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)c1c(F)cccc1F ZINC000051092536 346500240 /nfs/dbraw/zinc/50/02/40/346500240.db2.gz QUJWGCSJEOKILU-ZDUSSCGKSA-N 0 3 255.308 2.896 20 30 CFEDHN C[C@H](CC#N)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000596682405 349973535 /nfs/dbraw/zinc/97/35/35/349973535.db2.gz KXAYGRYINQBWIC-OAHLLOKOSA-N 0 3 299.418 2.838 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1CC ZINC000052867498 346530389 /nfs/dbraw/zinc/53/03/89/346530389.db2.gz URZIDAWHJCLQDM-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN N#Cc1cc(Cl)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000052858093 346530500 /nfs/dbraw/zinc/53/05/00/346530500.db2.gz MCAWNBJMVBDCTE-LBPRGKRZSA-N 0 3 261.756 2.860 20 30 CFEDHN CCCCN(CCCC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000052870523 346531942 /nfs/dbraw/zinc/53/19/42/346531942.db2.gz YCPJRCHAWRSHEW-INIZCTEOSA-N 0 3 279.428 2.697 20 30 CFEDHN N#Cc1c(Cl)cccc1N[C@H]1CCN(C2CC2)C1 ZINC000052904607 346532685 /nfs/dbraw/zinc/53/26/85/346532685.db2.gz RSKWLXFJHXNAHU-JTQLQIEISA-N 0 3 261.756 2.860 20 30 CFEDHN Cc1noc([C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000054677680 346575247 /nfs/dbraw/zinc/57/52/47/346575247.db2.gz SXZLRNVJHIKGLZ-OAHLLOKOSA-N 0 3 282.347 2.629 20 30 CFEDHN CN(C)Cc1ccccc1CNC(=O)C1(C#N)CCCCC1 ZINC000057426898 346628384 /nfs/dbraw/zinc/62/83/84/346628384.db2.gz KMPDGBQIYJMYIG-UHFFFAOYSA-N 0 3 299.418 2.838 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1(C#N)CCCCC1 ZINC000057434495 346629272 /nfs/dbraw/zinc/62/92/72/346629272.db2.gz YKEUYDLWLOMPCR-LSDHHAIUSA-N 0 3 291.439 2.697 20 30 CFEDHN Cc1ccccc1C1(O)CCN(CCCC#N)CC1 ZINC000075922575 347109893 /nfs/dbraw/zinc/10/98/93/347109893.db2.gz AXLXENJXCHWIOF-UHFFFAOYSA-N 0 3 258.365 2.582 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000076948168 347161680 /nfs/dbraw/zinc/16/16/80/347161680.db2.gz AGSXMWZJGBRSEQ-CABCVRRESA-N 0 3 281.444 2.857 20 30 CFEDHN C[C@H](CCC(C)(C)C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000076320950 347133880 /nfs/dbraw/zinc/13/38/80/347133880.db2.gz MKHJNSNFOACSRQ-DOMZBBRYSA-N 0 3 287.407 2.889 20 30 CFEDHN CCCN1CCCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000078251350 347234628 /nfs/dbraw/zinc/23/46/28/347234628.db2.gz YBBCKHKXJPWZOM-UHFFFAOYSA-N 0 3 278.787 2.529 20 30 CFEDHN COC[C@@H](Cc1ccccc1)NCc1ccc(C#N)cc1 ZINC000080244149 347351084 /nfs/dbraw/zinc/35/10/84/347351084.db2.gz VECOQXUSGSJQHS-GOSISDBHSA-N 0 3 280.371 2.906 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(Cc2cc(C)on2)CC1 ZINC000091506596 347591002 /nfs/dbraw/zinc/59/10/02/347591002.db2.gz APDZCDMGJPFMEC-AWEZNQCLSA-N 0 3 277.412 2.845 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(c2cc(OC)ccn2)CC1 ZINC000091556297 347592986 /nfs/dbraw/zinc/59/29/86/347592986.db2.gz GUZFWZHLRPHCND-HNNXBMFYSA-N 0 3 289.423 2.957 20 30 CFEDHN C[C@@H](c1ccccn1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000091704261 347596567 /nfs/dbraw/zinc/59/65/67/347596567.db2.gz VIORUOCQIHKJLB-GUYCJALGSA-N 0 3 281.359 2.680 20 30 CFEDHN CCN1CC[C@@H](N(C)c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000092656915 347638054 /nfs/dbraw/zinc/63/80/54/347638054.db2.gz FRLGXIDUWZQULT-MWLCHTKSSA-N 0 3 298.843 2.835 20 30 CFEDHN C=C[C@@H](C)N[C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000092767487 347646881 /nfs/dbraw/zinc/64/68/81/347646881.db2.gz QYILKISLVSIEKQ-CHWSQXEVSA-N 0 3 260.381 2.590 20 30 CFEDHN CN(CCC#N)CCC1CCN(c2ccncc2)CC1 ZINC000092820959 347647458 /nfs/dbraw/zinc/64/74/58/347647458.db2.gz XYEJHTWHDWSWCZ-UHFFFAOYSA-N 0 3 272.396 2.534 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@]2(CCOC2)C1 ZINC000093820298 347683763 /nfs/dbraw/zinc/68/37/63/347683763.db2.gz VDANSNHTLLIGLS-QGZVFWFLSA-N 0 3 273.376 2.864 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@](C)(C(=O)OC)C2)cc1 ZINC000093813435 347684103 /nfs/dbraw/zinc/68/41/03/347684103.db2.gz JTWRFZUWYZMMSQ-QGZVFWFLSA-N 0 3 289.375 2.636 20 30 CFEDHN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1O ZINC000093333051 347669634 /nfs/dbraw/zinc/66/96/34/347669634.db2.gz JYRGBHOVNWTAFY-CJNGLKHVSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCc1cc(CN[C@@H](CO)CC(C)C)cc(OC)c1O ZINC000113326907 347767232 /nfs/dbraw/zinc/76/72/32/347767232.db2.gz GPTAKVFKGPEPHR-OAHLLOKOSA-N 0 3 293.407 2.626 20 30 CFEDHN C=CCc1cc(CNCCSC)cc(OC)c1O ZINC000113313327 347767277 /nfs/dbraw/zinc/76/72/77/347767277.db2.gz CLNYKOVEXKFHOU-UHFFFAOYSA-N 0 3 267.394 2.582 20 30 CFEDHN C=CC1CCN(C(=O)NC2CCN(CC(=C)C)CC2)CC1 ZINC000111495999 347754475 /nfs/dbraw/zinc/75/44/75/347754475.db2.gz DWWAEGFNHHNLKX-UHFFFAOYSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000111693194 347756489 /nfs/dbraw/zinc/75/64/89/347756489.db2.gz NSNWAULSRWOCEQ-HNNXBMFYSA-N 0 3 298.430 2.858 20 30 CFEDHN C=CCCCN(C)CC(=O)NCCc1ccccc1C ZINC000121046265 347809828 /nfs/dbraw/zinc/80/98/28/347809828.db2.gz BPSRBBNZCSALOQ-UHFFFAOYSA-N 0 3 274.408 2.552 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1CC1CCCCC1 ZINC000141927402 347932623 /nfs/dbraw/zinc/93/26/23/347932623.db2.gz MLTZDHCEYJVGRN-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C[C@@H](CC1CCOCC1)NCc1ccc(C#N)cc1F ZINC000151164417 347960046 /nfs/dbraw/zinc/96/00/46/347960046.db2.gz GQTZNTNHAMTTEU-LBPRGKRZSA-N 0 3 276.355 2.992 20 30 CFEDHN C[C@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3)CCN1C ZINC000157953526 348004368 /nfs/dbraw/zinc/00/43/68/348004368.db2.gz DZPXMPGNVDZFQM-SWLSCSKDSA-N 0 3 284.407 2.727 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C)CCc1ccccn1 ZINC000165435364 348038625 /nfs/dbraw/zinc/03/86/25/348038625.db2.gz HXWSRZHNZGUIAA-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCCC2)CC1 ZINC000172029420 348085203 /nfs/dbraw/zinc/08/52/03/348085203.db2.gz VYQHCSCOSOLELQ-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](C)[C@H]2CC)CC1 ZINC000187837638 348131666 /nfs/dbraw/zinc/13/16/66/348131666.db2.gz MAKQJXXUKSHFEK-GOEBONIOSA-N 0 3 293.455 2.857 20 30 CFEDHN COc1cnccc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000248876145 348278630 /nfs/dbraw/zinc/27/86/30/348278630.db2.gz JNLNBTMKPDNPEB-XQQFMLRXSA-N 0 3 259.353 2.823 20 30 CFEDHN C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000271825619 348332325 /nfs/dbraw/zinc/33/23/25/348332325.db2.gz DAMVMOCBOZUTHT-KDOFPFPSSA-N 0 3 296.370 2.973 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 ZINC000281208867 348342438 /nfs/dbraw/zinc/34/24/38/348342438.db2.gz JNODDINADSDBJN-OAGGEKHMSA-N 0 3 274.364 2.667 20 30 CFEDHN COc1cc(CNCCc2cccc(C)n2)ccc1C#N ZINC000281836426 348343068 /nfs/dbraw/zinc/34/30/68/348343068.db2.gz YEAZNWLZDBGQSY-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN Cc1ccccc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000302221729 348372895 /nfs/dbraw/zinc/37/28/95/348372895.db2.gz KINVDFLKFQXGCF-AWEZNQCLSA-N 0 3 294.358 2.803 20 30 CFEDHN CC[C@H](C#N)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000323548886 348438242 /nfs/dbraw/zinc/43/82/42/348438242.db2.gz AGXJILHTXMITIZ-DOTOQJQBSA-N 0 3 299.418 2.517 20 30 CFEDHN Cc1c(Cl)cnc(N[C@H]2CCN(C(C)C)C2)c1C#N ZINC000273381301 192133248 /nfs/dbraw/zinc/13/32/48/192133248.db2.gz SWIBLRPBZZVTJJ-NSHDSACASA-N 0 3 278.787 2.810 20 30 CFEDHN Cc1ccccc1CN1CCCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000596788071 349990088 /nfs/dbraw/zinc/99/00/88/349990088.db2.gz NZHYXGIKAVIXAP-INIZCTEOSA-N 0 3 299.418 2.579 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)CC1(C#N)CCCCC1 ZINC000596806957 349991864 /nfs/dbraw/zinc/99/18/64/349991864.db2.gz FEHCQLSWSRJNSH-OAHLLOKOSA-N 0 3 291.439 2.841 20 30 CFEDHN C=CCOc1ccc(CNCC2=CCCOC2)cc1OC ZINC000342275208 348457422 /nfs/dbraw/zinc/45/74/22/348457422.db2.gz APKDNUVJUZWTOI-UHFFFAOYSA-N 0 3 289.375 2.696 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000413159622 233025336 /nfs/dbraw/zinc/02/53/36/233025336.db2.gz BNBKZCCYFPAYOW-AWEZNQCLSA-N 0 3 288.370 2.769 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cnc2C#N)CCN1C ZINC000413156710 233025816 /nfs/dbraw/zinc/02/58/16/233025816.db2.gz GAGHZKRRVCMQED-KOLCDFICSA-N 0 3 298.312 2.867 20 30 CFEDHN CC[C@@H](C#N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388174752 348537448 /nfs/dbraw/zinc/53/74/48/348537448.db2.gz LHWPXEBBWYXIGB-DLBZAZTESA-N 0 3 299.418 2.659 20 30 CFEDHN C=CCOCCNCc1ccc(C(F)(F)F)cc1 ZINC000305504734 539652008 /nfs/dbraw/zinc/65/20/08/539652008.db2.gz QHINEGVQLUXSED-UHFFFAOYSA-N 0 3 259.271 2.998 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CCCCC2)cc1F ZINC000404148252 348590222 /nfs/dbraw/zinc/59/02/22/348590222.db2.gz QERIKDDXSPONPO-UHFFFAOYSA-N 0 3 276.355 2.730 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NCC(C)(C)C#N ZINC000405219083 348596702 /nfs/dbraw/zinc/59/67/02/348596702.db2.gz KNCUTIUQKAUDKZ-GOEBONIOSA-N 0 3 271.408 2.646 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCC(C)(C)C#N ZINC000405219085 348597003 /nfs/dbraw/zinc/59/70/03/348597003.db2.gz KNCUTIUQKAUDKZ-HOCLYGCPSA-N 0 3 271.408 2.646 20 30 CFEDHN N#CC[C@H]1CCCN(CCCOCC(F)(F)F)C1 ZINC000397761422 348564259 /nfs/dbraw/zinc/56/42/59/348564259.db2.gz RTAYLTKQHZWUPT-LLVKDONJSA-N 0 3 264.291 2.581 20 30 CFEDHN N#CC[C@@H]1CCCN(CCOCc2ccccc2)C1 ZINC000397856817 348565140 /nfs/dbraw/zinc/56/51/40/348565140.db2.gz UDEICIAOHMQSBT-HNNXBMFYSA-N 0 3 258.365 2.829 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCc1cccc2[nH]ccc21 ZINC000558573734 348656681 /nfs/dbraw/zinc/65/66/81/348656681.db2.gz YNNVMEUFWQNKBG-ZDUSSCGKSA-N 0 3 266.348 2.744 20 30 CFEDHN N#CCC[C@H](C#N)CNCCc1cccc2[nH]ccc21 ZINC000558573733 348656719 /nfs/dbraw/zinc/65/67/19/348656719.db2.gz YNNVMEUFWQNKBG-CYBMUJFWSA-N 0 3 266.348 2.744 20 30 CFEDHN COC(=O)c1cccc2c1CCN(CCCCC#N)C2 ZINC000459539104 348624900 /nfs/dbraw/zinc/62/49/00/348624900.db2.gz PHJCZWSAJJJERG-UHFFFAOYSA-N 0 3 272.348 2.525 20 30 CFEDHN C#C[C@H](CC)NCc1cccc(OCCCC#N)c1 ZINC000491632375 348629261 /nfs/dbraw/zinc/62/92/61/348629261.db2.gz OSOHZZJBMZHUHO-OAHLLOKOSA-N 0 3 256.349 2.871 20 30 CFEDHN C=CCCC(=O)Nc1cc(CN(C)C)ccc1OC ZINC000588025678 348767239 /nfs/dbraw/zinc/76/72/39/348767239.db2.gz VSBLQAARGAHJMS-UHFFFAOYSA-N 0 3 262.353 2.662 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000586793455 348752782 /nfs/dbraw/zinc/75/27/82/348752782.db2.gz DMLBPPKJIXFKSU-NHCYSSNCSA-N 0 3 271.320 2.876 20 30 CFEDHN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000589344260 348828321 /nfs/dbraw/zinc/82/83/21/348828321.db2.gz ZVDGXPXAAWJPEE-IAGOWNOFSA-N 0 3 292.386 2.946 20 30 CFEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000589344261 348828480 /nfs/dbraw/zinc/82/84/80/348828480.db2.gz ZVDGXPXAAWJPEE-IRXDYDNUSA-N 0 3 292.386 2.946 20 30 CFEDHN CN1CC[C@@]2(CCN(c3nc(C(C)(C)C)ccc3C#N)C2)C1 ZINC000589879262 348863293 /nfs/dbraw/zinc/86/32/93/348863293.db2.gz ZYVPFWGAJGVIJZ-GOSISDBHSA-N 0 3 298.434 2.783 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H](CCO)C1 ZINC000093106411 539685389 /nfs/dbraw/zinc/68/53/89/539685389.db2.gz SKBXFZHSYVYURC-OAHLLOKOSA-N 0 3 275.392 2.846 20 30 CFEDHN COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000590154427 348879434 /nfs/dbraw/zinc/87/94/34/348879434.db2.gz BZZDHDKBONELAL-GXTWGEPZSA-N 0 3 274.364 2.828 20 30 CFEDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCOCCC#N ZINC000590171251 348881962 /nfs/dbraw/zinc/88/19/62/348881962.db2.gz KKMUEESYIXDOFH-QWRGUYRKSA-N 0 3 264.291 2.579 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC1(C#N)CC1 ZINC000590210991 348885834 /nfs/dbraw/zinc/88/58/34/348885834.db2.gz LYEPRJNLYVUOFL-UHFFFAOYSA-N 0 3 299.418 2.791 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccnc(C#N)c2)C12CCCC2 ZINC000590739058 348940244 /nfs/dbraw/zinc/94/02/44/348940244.db2.gz KCNRQTDWRGPPIR-HZPDHXFCSA-N 0 3 285.391 2.781 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000590762780 348944755 /nfs/dbraw/zinc/94/47/55/348944755.db2.gz YRPLDMGYTGTMSW-KBPBESRZSA-N 0 3 298.308 2.612 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C#N)c(Cl)c2)[C@@H](C)O1 ZINC000590653564 348921929 /nfs/dbraw/zinc/92/19/29/348921929.db2.gz NMPYRHNADCYKPB-RULNRJAQSA-N 0 3 264.756 2.867 20 30 CFEDHN C[C@H]1COCCCN1CCC1(C#N)CCCCC1 ZINC000591019715 348979822 /nfs/dbraw/zinc/97/98/22/348979822.db2.gz YABBHNTYQJBBLN-AWEZNQCLSA-N 0 3 250.386 2.961 20 30 CFEDHN CCOc1ccc(C[C@H](C)CNC(=O)C(C)C#N)cc1 ZINC000590891680 348963426 /nfs/dbraw/zinc/96/34/26/348963426.db2.gz IDXNJZPFFJJJTN-QWHCGFSZSA-N 0 3 274.364 2.540 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CC(F)(F)F)cc1Cl ZINC000591765927 349042774 /nfs/dbraw/zinc/04/27/74/349042774.db2.gz RWBHBBZJYSAKKS-JTQLQIEISA-N 0 3 292.688 2.615 20 30 CFEDHN CC(C)OCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000273484210 192169900 /nfs/dbraw/zinc/16/99/00/192169900.db2.gz VEEBNGRQAMNSEE-LLVKDONJSA-N 0 3 250.317 2.773 20 30 CFEDHN CC[C@@H](C(=O)N1CCc2cc(C#N)ccc21)N(CC)CC ZINC000591312347 349007799 /nfs/dbraw/zinc/00/77/99/349007799.db2.gz KVISJOWOXUSCED-HNNXBMFYSA-N 0 3 285.391 2.568 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCC(C)(F)F)CC1 ZINC000592075713 349080803 /nfs/dbraw/zinc/08/08/03/349080803.db2.gz AFNSXSBUDOPBTE-UHFFFAOYSA-N 0 3 274.355 2.579 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H](c2cccnc2)C1 ZINC000592140146 349090342 /nfs/dbraw/zinc/09/03/42/349090342.db2.gz JZAMNGLUGRWXAB-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000592368419 349110287 /nfs/dbraw/zinc/11/02/87/349110287.db2.gz IGBMCQLZKMGQNA-XFJVYGCCSA-N 0 3 256.349 2.703 20 30 CFEDHN Cc1ccc(-c2nn(C)cc2CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000592368972 349110559 /nfs/dbraw/zinc/11/05/59/349110559.db2.gz ZAHULNHLIHVHPS-GXTWGEPZSA-N 0 3 284.363 2.770 20 30 CFEDHN CCCC[C@@](C)(CO)NCc1ccc(C#N)c(OC)c1 ZINC000592375573 349111874 /nfs/dbraw/zinc/11/18/74/349111874.db2.gz YBVCGZSGODLYOC-INIZCTEOSA-N 0 3 276.380 2.598 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc2n(n1)CCCC2 ZINC000592389813 349113528 /nfs/dbraw/zinc/11/35/28/349113528.db2.gz SOGJQAXYZKAZMW-IHRRRGAJSA-N 0 3 272.396 2.952 20 30 CFEDHN COc1ccc2ccccc2c1CN1CC[C@@](O)(CC#N)C1 ZINC000592523528 349133706 /nfs/dbraw/zinc/13/37/06/349133706.db2.gz NWDOBXLZDJTYCE-SFHVURJKSA-N 0 3 296.370 2.699 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000592736784 349160225 /nfs/dbraw/zinc/16/02/25/349160225.db2.gz TWBVJXPZGPVZIH-QBPKDAKJSA-N 0 3 293.370 2.545 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000592736782 349160245 /nfs/dbraw/zinc/16/02/45/349160245.db2.gz TWBVJXPZGPVZIH-MWDXBVQZSA-N 0 3 293.370 2.545 20 30 CFEDHN CC(C)N(C(=O)[C@H](C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592870024 349173472 /nfs/dbraw/zinc/17/34/72/349173472.db2.gz BTUCBHHZFACIHY-WBVHZDCISA-N 0 3 299.418 2.658 20 30 CFEDHN CC[C@@H]1CO[C@@H](CC)CN1CCCSCC#N ZINC000593059729 349197226 /nfs/dbraw/zinc/19/72/26/349197226.db2.gz SNSYFVGRQYEFOI-OLZOCXBDSA-N 0 3 256.415 2.523 20 30 CFEDHN N#Cc1ccc(CNC2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593080683 349204057 /nfs/dbraw/zinc/20/40/57/349204057.db2.gz KPNRWSXEMNXMBL-UHFFFAOYSA-N 0 3 271.320 2.889 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593089944 349205883 /nfs/dbraw/zinc/20/58/83/349205883.db2.gz WDLHWCNIBDYEKJ-QGZVFWFLSA-N 0 3 285.435 2.785 20 30 CFEDHN CN(CCN1CCCCC1)c1ccc(Cl)c(C#N)n1 ZINC000593514907 349288029 /nfs/dbraw/zinc/28/80/29/349288029.db2.gz CLAYRWIODRPEJC-UHFFFAOYSA-N 0 3 278.787 2.529 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000593616549 349299710 /nfs/dbraw/zinc/29/97/10/349299710.db2.gz NSVISZKJACEVHL-WBVHZDCISA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000593616548 349299784 /nfs/dbraw/zinc/29/97/84/349299784.db2.gz NSVISZKJACEVHL-RDJZCZTQSA-N 0 3 299.418 2.563 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)[C@@H](C#N)CC)N(C)C)cc1 ZINC000593390925 349258739 /nfs/dbraw/zinc/25/87/39/349258739.db2.gz HTZZCLNSILTISS-ZBFHGGJFSA-N 0 3 287.407 2.518 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C#N)CC)N(C)C)cc1 ZINC000593390922 349259001 /nfs/dbraw/zinc/25/90/01/349259001.db2.gz HTZZCLNSILTISS-GDBMZVCRSA-N 0 3 287.407 2.518 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000593447996 349272732 /nfs/dbraw/zinc/27/27/32/349272732.db2.gz KRZFRYRMCCHFMT-NVXWUHKLSA-N 0 3 299.418 2.880 20 30 CFEDHN CC[C@H](C#N)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000593452018 349273897 /nfs/dbraw/zinc/27/38/97/349273897.db2.gz XHBJRWBZBSFNML-ZIAGYGMSSA-N 0 3 287.407 2.782 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000593814616 349329341 /nfs/dbraw/zinc/32/93/41/349329341.db2.gz JUSACBRMTFMXRF-CABZTGNLSA-N 0 3 276.311 2.704 20 30 CFEDHN Cc1ccc(CN(CCN(C)C)C(=O)CCCCC#N)o1 ZINC000593992416 349347693 /nfs/dbraw/zinc/34/76/93/349347693.db2.gz PRKDBIXCNDKHAX-UHFFFAOYSA-N 0 3 291.395 2.562 20 30 CFEDHN CC(C)(CCN1CCN(c2cnccc2C#N)CC1)C1CC1 ZINC000593992055 349347808 /nfs/dbraw/zinc/34/78/08/349347808.db2.gz KYNIEEMGWVQVKD-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN Cc1cc(CN[C@H](C)COCC2CC2)ccc1C#N ZINC000593682805 349309687 /nfs/dbraw/zinc/30/96/87/349309687.db2.gz YKPUDLFUAILBHW-CYBMUJFWSA-N 0 3 258.365 2.771 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H](CO)CCF ZINC000593719428 349314758 /nfs/dbraw/zinc/31/47/58/349314758.db2.gz XVXYITUZBPZLQB-HOCLYGCPSA-N 0 3 276.355 2.636 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1 ZINC000668738506 539739486 /nfs/dbraw/zinc/73/94/86/539739486.db2.gz FDAPWRIXIGYBLX-RHSMWYFYSA-N 0 3 275.392 2.702 20 30 CFEDHN N#CCCCCCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594194948 349392879 /nfs/dbraw/zinc/39/28/79/349392879.db2.gz BKAZGTOLHHJVPX-GJZGRUSLSA-N 0 3 277.412 2.594 20 30 CFEDHN N#CCCCCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000594278945 349403520 /nfs/dbraw/zinc/40/35/20/349403520.db2.gz WNHDPBVMEQBYMW-OAHLLOKOSA-N 0 3 277.412 2.547 20 30 CFEDHN CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CCCCC#N ZINC000594037657 349359232 /nfs/dbraw/zinc/35/92/32/349359232.db2.gz PMDVQEBZGPVKKH-INIZCTEOSA-N 0 3 299.418 2.980 20 30 CFEDHN C[C@@H](O)CN(Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594065117 349367806 /nfs/dbraw/zinc/36/78/06/349367806.db2.gz OMUVJOXLHKUYDU-CYBMUJFWSA-N 0 3 272.392 2.833 20 30 CFEDHN CCCC[C@@H]1CCC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594439258 349422420 /nfs/dbraw/zinc/42/24/20/349422420.db2.gz OXDWSQNCLVERJV-RBSFLKMASA-N 0 3 279.428 2.873 20 30 CFEDHN CC[C@H](Cc1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000594439320 349422483 /nfs/dbraw/zinc/42/24/83/349422483.db2.gz PXAGSAHVIBLURC-HZPDHXFCSA-N 0 3 287.407 2.535 20 30 CFEDHN COc1cc(NC(=O)[C@H](N)CCCCC#N)ccc1Cl ZINC000594437030 349422519 /nfs/dbraw/zinc/42/25/19/349422519.db2.gz SNGDTPOXUWYXJX-GFCCVEGCSA-N 0 3 295.770 2.698 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC2(CCCCC2)CC1 ZINC000594438411 349422956 /nfs/dbraw/zinc/42/29/56/349422956.db2.gz NOSCEWKIQOPHQL-HNNXBMFYSA-N 0 3 291.439 2.971 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H](C)c1ccccc1 ZINC000594443473 349423474 /nfs/dbraw/zinc/42/34/74/349423474.db2.gz IEIAPJGZOHSXOS-IJEWVQPXSA-N 0 3 287.407 2.706 20 30 CFEDHN Cc1cccc2c1CCCN2C(=O)[C@H](N)CCCCC#N ZINC000594442157 349423981 /nfs/dbraw/zinc/42/39/81/349423981.db2.gz BMWZTDYKPVMOQQ-OAHLLOKOSA-N 0 3 285.391 2.686 20 30 CFEDHN C[C@@H](CC[S@@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497194 349431351 /nfs/dbraw/zinc/43/13/51/349431351.db2.gz DMGBWOASGZJGGJ-RNODOKPDSA-N 0 3 292.448 2.734 20 30 CFEDHN C=C[C@H](C)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000597062690 350023979 /nfs/dbraw/zinc/02/39/79/350023979.db2.gz JOMIOSVKFAPCJS-VIFPVBQESA-N 0 3 253.729 2.791 20 30 CFEDHN CC1(CO)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597085332 350028124 /nfs/dbraw/zinc/02/81/24/350028124.db2.gz DCPXNXMOMTVQCZ-UHFFFAOYSA-N 0 3 284.403 2.836 20 30 CFEDHN CCOC(=O)[C@H](NC(=O)C(C#N)CC)C1CCCCCC1 ZINC000594407890 349415329 /nfs/dbraw/zinc/41/53/29/349415329.db2.gz FULNLVXHAXOGAO-GXTWGEPZSA-N 0 3 294.395 2.554 20 30 CFEDHN CC[C@@H](CNC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000594425542 349417051 /nfs/dbraw/zinc/41/70/51/349417051.db2.gz KSHGYTOXZGTLTG-HOCLYGCPSA-N 0 3 287.407 2.708 20 30 CFEDHN C[C@H](CCc1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000594424684 349417175 /nfs/dbraw/zinc/41/71/75/349417175.db2.gz IFIGTYFMXCAAAU-GDBMZVCRSA-N 0 3 287.407 2.535 20 30 CFEDHN CCN(C(=O)[C@@H](N)CCCCC#N)c1ccccc1C ZINC000594426093 349417614 /nfs/dbraw/zinc/41/76/14/349417614.db2.gz MWUWWXOIDZRCSL-AWEZNQCLSA-N 0 3 273.380 2.759 20 30 CFEDHN CCCc1ccccc1NC(=O)[C@H](N)CCCCC#N ZINC000594425923 349417736 /nfs/dbraw/zinc/41/77/36/349417736.db2.gz BNFKTXULGZVBLQ-CQSZACIVSA-N 0 3 273.380 2.989 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCC2 ZINC000594426178 349417776 /nfs/dbraw/zinc/41/77/76/349417776.db2.gz NTKMLZQSXOLYIR-HNNXBMFYSA-N 0 3 271.364 2.525 20 30 CFEDHN CCCc1ccccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594425902 349417894 /nfs/dbraw/zinc/41/78/94/349417894.db2.gz BNFKTXULGZVBLQ-AWEZNQCLSA-N 0 3 273.380 2.989 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000594425996 349417942 /nfs/dbraw/zinc/41/79/42/349417942.db2.gz BUKRYWFVZJTEQU-JONQDZQNSA-N 0 3 291.439 2.873 20 30 CFEDHN Cc1ccc(Cl)cc1NC(=O)[C@@H](N)CCCCC#N ZINC000594427987 349418602 /nfs/dbraw/zinc/41/86/02/349418602.db2.gz YSOBGOSCYGYANF-LBPRGKRZSA-N 0 3 279.771 2.998 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC(c2ccccc2)CC1 ZINC000594427253 349418710 /nfs/dbraw/zinc/41/87/10/349418710.db2.gz IGLCXPUYDPXINW-KRWDZBQOSA-N 0 3 299.418 2.804 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N(C1CC1)C1CCCCC1 ZINC000594428566 349418782 /nfs/dbraw/zinc/41/87/82/349418782.db2.gz MWHKOUVANIXJHI-OAHLLOKOSA-N 0 3 277.412 2.721 20 30 CFEDHN Cc1cc([C@@H](C)NC(=O)[C@H](N)CCCCC#N)c(C)s1 ZINC000594429401 349419469 /nfs/dbraw/zinc/41/94/69/349419469.db2.gz TVIKKBSDGYVYHQ-BXUZGUMPSA-N 0 3 293.436 2.953 20 30 CFEDHN CC(C)c1ccc(CNC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594429422 349419857 /nfs/dbraw/zinc/41/98/57/349419857.db2.gz UAWBSSARMVAZAK-INIZCTEOSA-N 0 3 287.407 2.837 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000594430200 349420064 /nfs/dbraw/zinc/42/00/64/349420064.db2.gz WRQMTGQMMRACTD-HOTGVXAUSA-N 0 3 285.391 2.761 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N(CC1CC1)c1ccccc1 ZINC000594433345 349420409 /nfs/dbraw/zinc/42/04/09/349420409.db2.gz ODKJGISRKIQFOS-INIZCTEOSA-N 0 3 285.391 2.841 20 30 CFEDHN C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594433144 349420579 /nfs/dbraw/zinc/42/05/79/349420579.db2.gz CIANHVPJAFNYQB-CJNGLKHVSA-N 0 3 285.391 2.544 20 30 CFEDHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CCCCC#N)CC2 ZINC000594434047 349421365 /nfs/dbraw/zinc/42/13/65/349421365.db2.gz JSNZPLFOSDYWCB-JKSUJKDBSA-N 0 3 285.391 2.510 20 30 CFEDHN C[C@@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594434273 349421499 /nfs/dbraw/zinc/42/14/99/349421499.db2.gz MBYLBJWOTLJFFY-HIFRSBDPSA-N 0 3 285.391 2.623 20 30 CFEDHN Cc1cc(CNC(=O)[C@H](N)CCCCC#N)ccc1Cl ZINC000594435390 349421562 /nfs/dbraw/zinc/42/15/62/349421562.db2.gz BYOIBJUOSKOFAK-CQSZACIVSA-N 0 3 293.798 2.676 20 30 CFEDHN CSCc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC000594435605 349421605 /nfs/dbraw/zinc/42/16/05/349421605.db2.gz DCMAQRAKVWCNAQ-AWEZNQCLSA-N 0 3 291.420 2.899 20 30 CFEDHN C[C@H]1C[C@@H](N(C)C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597309081 350081614 /nfs/dbraw/zinc/08/16/14/350081614.db2.gz IEVNLZVDAUWISF-GJZGRUSLSA-N 0 3 291.439 2.792 20 30 CFEDHN CN(C)C[C@@H]1CCCCN1C(=O)CC1(C#N)CCCCC1 ZINC000597137279 350037022 /nfs/dbraw/zinc/03/70/22/350037022.db2.gz PENOXWBAOHEEHP-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN COCCOc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000597173344 350043649 /nfs/dbraw/zinc/04/36/49/350043649.db2.gz JEPXOKDHUWWMLA-OAHLLOKOSA-N 0 3 288.391 2.837 20 30 CFEDHN N#CC[C@@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000597174571 350044512 /nfs/dbraw/zinc/04/45/12/350044512.db2.gz RFFMZNDDRBHADP-INIZCTEOSA-N 0 3 299.418 2.649 20 30 CFEDHN CCOC(=O)c1ccc(CNCCc2ccc(C#N)cc2)o1 ZINC000597178230 350045423 /nfs/dbraw/zinc/04/54/23/350045423.db2.gz PNXDKYIJYXPGLX-UHFFFAOYSA-N 0 3 298.342 2.660 20 30 CFEDHN C=CCCNCc1cn(-c2ccccc2)nc1C(=O)OCC ZINC000597183330 350047001 /nfs/dbraw/zinc/04/70/01/350047001.db2.gz HKAHQSANRZOWIY-UHFFFAOYSA-N 0 3 299.374 2.715 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000597186725 350048248 /nfs/dbraw/zinc/04/82/48/350048248.db2.gz HNNFMRLHAISBET-GFCCVEGCSA-N 0 3 262.353 2.589 20 30 CFEDHN C=CCC1(NCc2cc(C)c(C(=O)OC)o2)CCOCC1 ZINC000597204347 350055197 /nfs/dbraw/zinc/05/51/97/350055197.db2.gz AKUGCKGTUNOBJX-UHFFFAOYSA-N 0 3 293.363 2.590 20 30 CFEDHN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1ccc(C#N)s1 ZINC000597238805 350068426 /nfs/dbraw/zinc/06/84/26/350068426.db2.gz JEBLLXHKAJETQW-UKRRQHHQSA-N 0 3 292.404 2.831 20 30 CFEDHN CCN(C(=O)[C@H](C)CC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597505020 350105883 /nfs/dbraw/zinc/10/58/83/350105883.db2.gz KISKIQKNOPOYJW-WBVHZDCISA-N 0 3 299.418 2.659 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCC[C@H]2C2CC2)n1 ZINC000414490036 233269671 /nfs/dbraw/zinc/26/96/71/233269671.db2.gz XCKUBFJCRDYXPJ-AAEUAGOBSA-N 0 3 261.394 2.931 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152760287 539751565 /nfs/dbraw/zinc/75/15/65/539751565.db2.gz NBWVPMNHCIUCJK-FMKPAKJESA-N 0 3 259.349 2.661 20 30 CFEDHN COC1([C@@H](C)NCc2ccc(C#N)s2)CCC1 ZINC000414531275 233285083 /nfs/dbraw/zinc/28/50/83/233285083.db2.gz YSLXEAKBCGCBLG-SNVBAGLBSA-N 0 3 250.367 2.667 20 30 CFEDHN Cn1cc(CN[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)cc1C#N ZINC000414574164 233296161 /nfs/dbraw/zinc/29/61/61/233296161.db2.gz MKRGCGNKPMSIGK-CABCVRRESA-N 0 3 289.423 2.969 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 ZINC000597911350 350156142 /nfs/dbraw/zinc/15/61/42/350156142.db2.gz KTSVQKCSANWZFJ-CQSZACIVSA-N 0 3 285.391 2.514 20 30 CFEDHN C=CCCSCCNC(=O)c1cccc(CN(C)C)c1 ZINC000597968304 350164589 /nfs/dbraw/zinc/16/45/89/350164589.db2.gz SOGAKUCWXSAMTR-UHFFFAOYSA-N 0 3 292.448 2.787 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334257 180136455 /nfs/dbraw/zinc/13/64/55/180136455.db2.gz AKIHDKINMMZJHQ-CQSZACIVSA-N 0 3 298.434 2.874 20 30 CFEDHN COc1ccc2c(c1)OC[C@H](NCc1ccc(C#N)cc1)C2 ZINC000271301764 191059622 /nfs/dbraw/zinc/05/96/22/191059622.db2.gz OSQFJKIFCGFILT-MRXNPFEDSA-N 0 3 294.354 2.660 20 30 CFEDHN CC[C@@H](C(=O)NCC1(C#N)CCCCC1)N(CC)CC ZINC000598303763 350230029 /nfs/dbraw/zinc/23/00/29/350230029.db2.gz DEOVPDOVXKSWSL-AWEZNQCLSA-N 0 3 279.428 2.697 20 30 CFEDHN CC(C)[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CCN1 ZINC000598574571 350285004 /nfs/dbraw/zinc/28/50/04/350285004.db2.gz RUGYHCJQTGWARR-IRXDYDNUSA-N 0 3 299.418 2.530 20 30 CFEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccsc1 ZINC000598621929 350295771 /nfs/dbraw/zinc/29/57/71/350295771.db2.gz WWNCEQGPVHVFTP-CMPLNLGQSA-N 0 3 252.383 2.699 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC(C)(C)CC[C@H]1CO ZINC000598645928 350300820 /nfs/dbraw/zinc/30/08/20/350300820.db2.gz AIVFPVXLDWIXBI-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H]2CC2(F)F)c(F)c1 ZINC000598650472 350303360 /nfs/dbraw/zinc/30/33/60/350303360.db2.gz YHYKUDYBULTWAF-LLVKDONJSA-N 0 3 254.255 2.832 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCc2c1cccc2F ZINC000598699464 350312129 /nfs/dbraw/zinc/31/21/29/350312129.db2.gz FCKNUXZGDJUMFM-IAQYHMDHSA-N 0 3 276.355 2.703 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc2ccccc2n1 ZINC000598715388 350315821 /nfs/dbraw/zinc/31/58/21/350315821.db2.gz POMXFMVUFHWYDJ-HNNXBMFYSA-N 0 3 283.375 2.625 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CC(C)(C)C#N ZINC000598587962 350287637 /nfs/dbraw/zinc/28/76/37/350287637.db2.gz XZUOCCIAZOEBNO-QGZVFWFLSA-N 0 3 297.402 2.847 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccc(O)cc1 ZINC000598596292 350289820 /nfs/dbraw/zinc/28/98/20/350289820.db2.gz ZLUCBAQXOOJRIN-HOTGVXAUSA-N 0 3 288.391 2.830 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NC[C@H](O)CC(C)(C)C#N ZINC000598598832 350290903 /nfs/dbraw/zinc/29/09/03/350290903.db2.gz DIMBPUZHAIOHLK-UONOGXRCSA-N 0 3 290.407 2.955 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNC(C)(C)c1ccccc1F ZINC000598616402 350294451 /nfs/dbraw/zinc/29/44/51/350294451.db2.gz ABDJXVVPEIBKQA-LBPRGKRZSA-N 0 3 278.371 2.951 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@H]1CC1(F)F ZINC000598908465 350346279 /nfs/dbraw/zinc/34/62/79/350346279.db2.gz DYXDKHOAPAOGPV-KGLIPLIRSA-N 0 3 292.329 2.920 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000598979435 350353326 /nfs/dbraw/zinc/35/33/26/350353326.db2.gz DSSCIPBAVRVMNE-JSGCOSHPSA-N 0 3 299.353 2.578 20 30 CFEDHN CCC[C@H](CNCc1ccc(C#N)s1)OCC ZINC000598989546 350354757 /nfs/dbraw/zinc/35/47/57/350354757.db2.gz LLGBUKLSKIGZFU-LLVKDONJSA-N 0 3 252.383 2.915 20 30 CFEDHN CC(C)CC[C@H](CO)NCc1cc(C#N)cs1 ZINC000598990802 350355501 /nfs/dbraw/zinc/35/55/01/350355501.db2.gz IOZFFEWAYASZAH-GFCCVEGCSA-N 0 3 252.383 2.506 20 30 CFEDHN CC1(C)CCC[C@@](CO)(NCc2ccccc2C#N)C1 ZINC000598995426 350356823 /nfs/dbraw/zinc/35/68/23/350356823.db2.gz VFGCQJYOPRZLIR-QGZVFWFLSA-N 0 3 272.392 2.979 20 30 CFEDHN N#CC1(c2ccc(CNCc3ccc[nH]c3=O)cc2)CC1 ZINC000599007540 350358166 /nfs/dbraw/zinc/35/81/66/350358166.db2.gz PUDYWQOAHZECCG-UHFFFAOYSA-N 0 3 279.343 2.632 20 30 CFEDHN C=CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C1CC1 ZINC000271360950 191095669 /nfs/dbraw/zinc/09/56/69/191095669.db2.gz HHEMDMFZXZOHPM-IAGOWNOFSA-N 0 3 299.418 2.792 20 30 CFEDHN CC[C@@H]1CCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598819488 350333952 /nfs/dbraw/zinc/33/39/52/350333952.db2.gz IQUCLOFAGNZKOD-ZACQAIPSSA-N 0 3 295.386 2.935 20 30 CFEDHN Cc1ccc(CN(C(C)C)[C@H]2CCOC2)cc1C#N ZINC000599423313 350433560 /nfs/dbraw/zinc/43/35/60/350433560.db2.gz BFUJWVRXSRJXKE-INIZCTEOSA-N 0 3 258.365 2.866 20 30 CFEDHN Cc1ccc(CN2CCC[C@]3(CCOC3)C2)cc1C#N ZINC000599434500 350437652 /nfs/dbraw/zinc/43/76/52/350437652.db2.gz BRAJJOVIBAYBRG-KRWDZBQOSA-N 0 3 270.376 2.869 20 30 CFEDHN CC(C)(C)CCN1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092219359 180346398 /nfs/dbraw/zinc/34/63/98/180346398.db2.gz QHSZNGCFPQFHHP-UHFFFAOYSA-N 0 3 275.396 2.705 20 30 CFEDHN Cc1ccc(CN(C2CC2)C2(CO)CCC2)cc1C#N ZINC000599437034 350438619 /nfs/dbraw/zinc/43/86/19/350438619.db2.gz LQHFFYNVPOEJEZ-UHFFFAOYSA-N 0 3 270.376 2.746 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599298329 350409117 /nfs/dbraw/zinc/40/91/17/350409117.db2.gz VNVDNKCHPQPSSY-SJORKVTESA-N 0 3 272.392 2.992 20 30 CFEDHN Cc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1C#N ZINC000599319625 350414080 /nfs/dbraw/zinc/41/40/80/350414080.db2.gz OQJHNAMVOUWUMN-HZPDHXFCSA-N 0 3 288.416 2.573 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1C#N ZINC000599338542 350417277 /nfs/dbraw/zinc/41/72/77/350417277.db2.gz CWOMZZYAKBEQOJ-OAHLLOKOSA-N 0 3 280.375 2.590 20 30 CFEDHN Cc1ccc(CN2CCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000599337254 350417609 /nfs/dbraw/zinc/41/76/09/350417609.db2.gz YJNLGBLFTBOUMY-XJKSGUPXSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1ccc(CN(C)CCc2ccncc2)cc1C#N ZINC000599341777 350418771 /nfs/dbraw/zinc/41/87/71/350418771.db2.gz LTVKIYAKVZDFCP-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN Cc1cnc([C@H](NC[C@H](O)CC2(C#N)CC2)C2CC2)s1 ZINC000599358948 350423559 /nfs/dbraw/zinc/42/35/59/350423559.db2.gz JZQFYGQDUNGNAK-CHWSQXEVSA-N 0 3 291.420 2.547 20 30 CFEDHN Cc1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1C#N ZINC000599405473 350431944 /nfs/dbraw/zinc/43/19/44/350431944.db2.gz WAWOBDYBPHTAIV-QGZVFWFLSA-N 0 3 270.376 2.869 20 30 CFEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599416592 350432703 /nfs/dbraw/zinc/43/27/03/350432703.db2.gz GTTDXRUGQLATJR-KRWDZBQOSA-N 0 3 299.418 2.747 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H](c1ccccn1)C1CCC1 ZINC000599574155 350459029 /nfs/dbraw/zinc/45/90/29/350459029.db2.gz PJIXRBVLAIWKNE-ZBFHGGJFSA-N 0 3 287.407 2.813 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1C#N ZINC000599440484 350439691 /nfs/dbraw/zinc/43/96/91/350439691.db2.gz LPWPUYVLOGJHFV-MRXNPFEDSA-N 0 3 270.376 2.746 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000599470167 350442587 /nfs/dbraw/zinc/44/25/87/350442587.db2.gz XWIRTEJZKFJWHY-KGLIPLIRSA-N 0 3 258.365 2.866 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)C[C@@H](C)C1CCCCC1 ZINC000599633170 350469092 /nfs/dbraw/zinc/46/90/92/350469092.db2.gz MUGNGIZBRHGACL-OAHLLOKOSA-N 0 3 293.455 2.897 20 30 CFEDHN C=C(C)CCN1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599664499 350476245 /nfs/dbraw/zinc/47/62/45/350476245.db2.gz CJMAVEKSOQRMRZ-OAHLLOKOSA-N 0 3 259.349 2.725 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CC2)CC1 ZINC000599673328 350478405 /nfs/dbraw/zinc/47/84/05/350478405.db2.gz OSBXULMGJJPUHL-GOEBONIOSA-N 0 3 291.439 2.695 20 30 CFEDHN N#CCc1cccc2c1CCN(CCc1ccccn1)C2 ZINC000599685309 350482035 /nfs/dbraw/zinc/48/20/35/350482035.db2.gz DLDVIQDGICEKGR-UHFFFAOYSA-N 0 3 277.371 2.748 20 30 CFEDHN CC(=O)NC[C@@H]1CCCCN1CCCCC(C)(C)C#N ZINC000599690696 350483855 /nfs/dbraw/zinc/48/38/55/350483855.db2.gz PFDUNFJHBCYAPJ-HNNXBMFYSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CCc1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc(OC)c1O ZINC000152896002 539799684 /nfs/dbraw/zinc/79/96/84/539799684.db2.gz PVBJDYNHMHYWHI-KFWWJZLASA-N 0 3 289.375 2.539 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCCN1CCCC(C)(C)C1 ZINC000599830215 350495714 /nfs/dbraw/zinc/49/57/14/350495714.db2.gz FWBOPYZDZXMAID-UHFFFAOYSA-N 0 3 279.428 2.555 20 30 CFEDHN C=CCN(CCc1ccccc1)Cc1cn(C)nc1C ZINC000092505638 180398745 /nfs/dbraw/zinc/39/87/45/180398745.db2.gz CQSIJCRGIIPQAJ-UHFFFAOYSA-N 0 3 269.392 2.959 20 30 CFEDHN CSc1ccc(F)cc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600727846 350602057 /nfs/dbraw/zinc/60/20/57/350602057.db2.gz KQWBGPPXJNVODQ-ZDUSSCGKSA-N 0 3 294.395 2.692 20 30 CFEDHN CC(C)Oc1ccccc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600719354 350600697 /nfs/dbraw/zinc/60/06/97/350600697.db2.gz JUXDNRTVQCWUCC-OAHLLOKOSA-N 0 3 288.391 2.618 20 30 CFEDHN N#C[C@H]1CC[C@H](n2cc(CNC3CCCCC3)nn2)C1 ZINC000600812751 350616309 /nfs/dbraw/zinc/61/63/09/350616309.db2.gz FHAAVVSDQVDYPP-WFASDCNBSA-N 0 3 273.384 2.565 20 30 CFEDHN COC[C@H](C)N(C(=O)C(C)C#N)[C@@H]1CCc2ccccc21 ZINC000600792301 350613770 /nfs/dbraw/zinc/61/37/70/350613770.db2.gz KOCAPNHXTOFSFT-DVOMOZLQSA-N 0 3 286.375 2.697 20 30 CFEDHN C=CC1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000601067566 350657714 /nfs/dbraw/zinc/65/77/14/350657714.db2.gz IVQBBNPTJMFOOT-AWEZNQCLSA-N 0 3 259.349 2.724 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccccc1CC#N ZINC000601123601 350674765 /nfs/dbraw/zinc/67/47/65/350674765.db2.gz GAAJOOLMCHZBQX-GJZGRUSLSA-N 0 3 299.418 2.745 20 30 CFEDHN CCN1CCCN(C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000601229030 350703530 /nfs/dbraw/zinc/70/35/30/350703530.db2.gz CHZKGTSLSIHGDY-CYBMUJFWSA-N 0 3 286.379 2.506 20 30 CFEDHN Cn1nc2c(c1CNCCc1ccc(C#N)cc1)CCCC2 ZINC000601131612 350677785 /nfs/dbraw/zinc/67/77/85/350677785.db2.gz NOFIAWRORZLDSF-UHFFFAOYSA-N 0 3 294.402 2.503 20 30 CFEDHN C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc(C#N)cc1 ZINC000601153837 350683870 /nfs/dbraw/zinc/68/38/70/350683870.db2.gz UYXVXSVLRTYLMQ-GOSISDBHSA-N 0 3 298.361 2.781 20 30 CFEDHN CN1C[C@@H]2CCCN(c3ncc(C#N)c4ccsc43)[C@@H]2C1 ZINC000601178942 350690307 /nfs/dbraw/zinc/69/03/07/350690307.db2.gz GNDFQFNVCQUDJA-SMDDNHRTSA-N 0 3 298.415 2.698 20 30 CFEDHN CCOC(=O)C1(C)CC(N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000601277582 350715936 /nfs/dbraw/zinc/71/59/36/350715936.db2.gz GCJGWWDNLXTNHL-HQVVEAJESA-N 0 3 298.386 2.867 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]1C(F)F ZINC000601604623 350745920 /nfs/dbraw/zinc/74/59/20/350745920.db2.gz NSZFGIHESQGKKS-CHWSQXEVSA-N 0 3 278.302 2.625 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@H]1C(F)F ZINC000601604624 350746077 /nfs/dbraw/zinc/74/60/77/350746077.db2.gz NSZFGIHESQGKKS-OLZOCXBDSA-N 0 3 278.302 2.625 20 30 CFEDHN CC(C)(F)CNC(=O)C(C#N)CCc1ccccc1 ZINC000601687403 350759271 /nfs/dbraw/zinc/75/92/71/350759271.db2.gz FBZRXGSKHMFKGR-ZDUSSCGKSA-N 0 3 262.328 2.623 20 30 CFEDHN CC[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000601301261 350719942 /nfs/dbraw/zinc/71/99/42/350719942.db2.gz WMOVXHZOMYSKSI-XDTLVQLUSA-N 0 3 286.297 2.911 20 30 CFEDHN Cc1ccc(CC[C@@H](C)N2CCN(CCC#N)CC2)cc1 ZINC000601316405 350723003 /nfs/dbraw/zinc/72/30/03/350723003.db2.gz YDYFDMLRXWXGAM-QGZVFWFLSA-N 0 3 285.435 2.847 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCn3nccc31)CC2 ZINC000601321028 350723674 /nfs/dbraw/zinc/72/36/74/350723674.db2.gz MZTJHSXINARXJZ-CVEARBPZSA-N 0 3 278.359 2.867 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000601695566 350763311 /nfs/dbraw/zinc/76/33/11/350763311.db2.gz HZWFMERVIDZAGQ-SECBINFHSA-N 0 3 282.265 2.750 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000601875286 350796308 /nfs/dbraw/zinc/79/63/08/350796308.db2.gz VJTLAKPRUIJUDP-NQBHXWOUSA-N 0 3 260.362 2.586 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC1([C@@H]2CCCCO2)CCC1 ZINC000601938948 350810016 /nfs/dbraw/zinc/81/00/16/350810016.db2.gz HSECGXGSOKWURQ-GJZGRUSLSA-N 0 3 275.396 2.759 20 30 CFEDHN CSCCCCNCc1cccc(F)c1C#N ZINC000602009554 350829707 /nfs/dbraw/zinc/82/97/07/350829707.db2.gz XRUCTHMSVTYPTH-UHFFFAOYSA-N 0 3 252.358 2.930 20 30 CFEDHN CC(C)[C@H]1C[C@@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602015804 350832316 /nfs/dbraw/zinc/83/23/16/350832316.db2.gz QQGABFHYKUFDAQ-XJKSGUPXSA-N 0 3 276.355 2.991 20 30 CFEDHN CC1(C)C[C@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602016975 350833093 /nfs/dbraw/zinc/83/30/93/350833093.db2.gz BSCGZDOLWFUYLP-GFCCVEGCSA-N 0 3 276.355 2.992 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602017415 350833226 /nfs/dbraw/zinc/83/32/26/350833226.db2.gz PYQPDNHNYRVUAW-CZUORRHYSA-N 0 3 274.339 2.768 20 30 CFEDHN C[C@@H]1C[C@H](CNCc2cccc(F)c2C#N)[C@H](C)O1 ZINC000602020698 350833754 /nfs/dbraw/zinc/83/37/54/350833754.db2.gz RZJRGJABWGJJMO-NTZNESFSSA-N 0 3 262.328 2.600 20 30 CFEDHN COC1CC(CCNCc2cccc(F)c2C#N)C1 ZINC000602027948 350834786 /nfs/dbraw/zinc/83/47/86/350834786.db2.gz JZEHDJAUNRFSEZ-UHFFFAOYSA-N 0 3 262.328 2.602 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602029778 350835637 /nfs/dbraw/zinc/83/56/37/350835637.db2.gz XNXSRJCSZRCTSF-CYBMUJFWSA-N 0 3 275.371 2.660 20 30 CFEDHN C[C@@H](CCC#N)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000602484040 350902107 /nfs/dbraw/zinc/90/21/07/350902107.db2.gz KVDSXQFUBDKBHM-DJJJIMSYSA-N 0 3 278.421 2.796 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000602596546 350939734 /nfs/dbraw/zinc/93/97/34/350939734.db2.gz PWFWAURRBJDRJE-FRIZHTMISA-N 0 3 278.421 2.636 20 30 CFEDHN CC(C)c1nc(CCNCc2cccc(C#N)n2)cs1 ZINC000602527017 350914841 /nfs/dbraw/zinc/91/48/41/350914841.db2.gz HZWPSBKSNVJZRM-UHFFFAOYSA-N 0 3 286.404 2.865 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1NCC1(C)C ZINC000602528860 350915768 /nfs/dbraw/zinc/91/57/68/350915768.db2.gz MAWIOLOLZJBRPE-MRXNPFEDSA-N 0 3 299.418 2.541 20 30 CFEDHN COc1cccc(C[C@@H](C)NCc2cccc(C#N)n2)c1 ZINC000602545667 350919266 /nfs/dbraw/zinc/91/92/66/350919266.db2.gz IFDZNFSRUVPGAX-CYBMUJFWSA-N 0 3 281.359 2.683 20 30 CFEDHN C=CC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552463 350921697 /nfs/dbraw/zinc/92/16/97/350921697.db2.gz RVMVPZJOUJHIIJ-VIFPVBQESA-N 0 3 261.281 2.790 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)Oc1cccc(F)c1 ZINC000602557408 350923842 /nfs/dbraw/zinc/92/38/42/350923842.db2.gz JTUNPLYLJRXCJL-LBPRGKRZSA-N 0 3 285.322 2.649 20 30 CFEDHN Cc1ccc(O[C@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602563478 350925961 /nfs/dbraw/zinc/92/59/61/350925961.db2.gz WSGLCAQZCGTIJM-CQSZACIVSA-N 0 3 281.359 2.819 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCOC3(CCCCC3)C2)n1 ZINC000602566458 350927009 /nfs/dbraw/zinc/92/70/09/350927009.db2.gz DABKMHCLCFFRDI-AWEZNQCLSA-N 0 3 285.391 2.925 20 30 CFEDHN C[C@@H](CCC#N)CNCc1cccnc1OCC(F)F ZINC000602581969 350933587 /nfs/dbraw/zinc/93/35/87/350933587.db2.gz UULANWZHRYCJEG-NSHDSACASA-N 0 3 283.322 2.755 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2cccc(C#N)n2)C1 ZINC000602593622 350938803 /nfs/dbraw/zinc/93/88/03/350938803.db2.gz LSTPTAAVMRCGAN-DYVFJYSZSA-N 0 3 287.407 2.620 20 30 CFEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cccc(C#N)n1 ZINC000602469286 350893669 /nfs/dbraw/zinc/89/36/69/350893669.db2.gz SJHYEQBDDHXKNF-ZDUSSCGKSA-N 0 3 281.359 2.722 20 30 CFEDHN CN(CCc1cccs1)Cc1cccc(C#N)n1 ZINC000602475858 350897228 /nfs/dbraw/zinc/89/72/28/350897228.db2.gz LOOXZGSQMQCIFI-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN COc1ccccc1N1CCC(NCC2(C#N)CC2)CC1 ZINC000602644139 350959376 /nfs/dbraw/zinc/95/93/76/350959376.db2.gz VEPHVPPHVNWWRN-UHFFFAOYSA-N 0 3 285.391 2.557 20 30 CFEDHN C[C@H](CCC#N)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000602654538 350962437 /nfs/dbraw/zinc/96/24/37/350962437.db2.gz VGUQVSGRDNCQHV-OAHLLOKOSA-N 0 3 282.391 2.879 20 30 CFEDHN C[C@@H](CCC#N)CN1CCOC[C@H]1CC1CCC1 ZINC000602672064 350970877 /nfs/dbraw/zinc/97/08/77/350970877.db2.gz MJUTUDAAMGCRTO-DZGCQCFKSA-N 0 3 250.386 2.817 20 30 CFEDHN CCN(Cc1cccc(C#N)n1)[C@H]1CCOC(C)(C)C1 ZINC000602671161 350970953 /nfs/dbraw/zinc/97/09/53/350970953.db2.gz RGUHMBIUDBTNHG-HNNXBMFYSA-N 0 3 273.380 2.733 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000602679309 350975018 /nfs/dbraw/zinc/97/50/18/350975018.db2.gz CRUCTLSKEBTVLW-CHWSQXEVSA-N 0 3 291.361 2.742 20 30 CFEDHN Cn1ccnc1[C@H](N[C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000602682440 350976949 /nfs/dbraw/zinc/97/69/49/350976949.db2.gz XJINSDNOTDNWTE-FPMFFAJLSA-N 0 3 258.369 2.543 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(CC#N)cc1 ZINC000602701720 350986611 /nfs/dbraw/zinc/98/66/11/350986611.db2.gz KUKHHBXLHOMELX-HNNXBMFYSA-N 0 3 297.402 2.941 20 30 CFEDHN CCC(O)(CC)C(C)(C)CNCc1cccc(C#N)n1 ZINC000602705215 350990121 /nfs/dbraw/zinc/99/01/21/350990121.db2.gz DOLSQUZKPOHBOD-UHFFFAOYSA-N 0 3 275.396 2.620 20 30 CFEDHN N#Cc1cc(F)cc(NC2CCN(C3CC3)CC2)c1 ZINC000602723337 351000399 /nfs/dbraw/zinc/00/03/99/351000399.db2.gz GPWITSLNSZVCIF-UHFFFAOYSA-N 0 3 259.328 2.736 20 30 CFEDHN COC(=O)[C@H]1CN(C[C@H](C)CCC#N)Cc2ccccc21 ZINC000602729373 351003159 /nfs/dbraw/zinc/00/31/59/351003159.db2.gz JKFJAODBPFBLAU-CJNGLKHVSA-N 0 3 286.375 2.699 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](C2CCC2)CC1 ZINC000602615349 350947232 /nfs/dbraw/zinc/94/72/32/350947232.db2.gz UNLRWTKYMSUEFL-JKSUJKDBSA-N 0 3 291.439 2.826 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCO[C@@H]1C ZINC000602767842 351017711 /nfs/dbraw/zinc/01/77/11/351017711.db2.gz GTJCYECWFDNNFI-PBHICJAKSA-N 0 3 270.376 2.971 20 30 CFEDHN CN(Cc1ccccc1)[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602779686 351022513 /nfs/dbraw/zinc/02/25/13/351022513.db2.gz MKDNBUQKEOKZMU-QGZVFWFLSA-N 0 3 283.419 2.887 20 30 CFEDHN CCCN(C[C@H]1CCCCO1)CC1(CC#N)CC1 ZINC000602791014 351026985 /nfs/dbraw/zinc/02/69/85/351026985.db2.gz BODNEHHETYUBDH-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(-n2ccnn2)cc1 ZINC000602806526 351032739 /nfs/dbraw/zinc/03/27/39/351032739.db2.gz VEJDYQZPTZIZHL-CYBMUJFWSA-N 0 3 281.363 2.612 20 30 CFEDHN CN1CCN(CC2(CC#N)CC2)C[C@@H]1Cc1ccccc1 ZINC000602827933 351039235 /nfs/dbraw/zinc/03/92/35/351039235.db2.gz PCTCVVCBSYRQGO-KRWDZBQOSA-N 0 3 283.419 2.539 20 30 CFEDHN CN(C(=O)[C@H]1CCN(CC2(CC#N)CC2)C1)c1ccccc1 ZINC000602828904 351039252 /nfs/dbraw/zinc/03/92/52/351039252.db2.gz SYPCMXJGFSYHHM-HNNXBMFYSA-N 0 3 297.402 2.665 20 30 CFEDHN N#Cc1ccccc1CN1CCCN(c2ccncc2)CC1 ZINC000602845370 351043640 /nfs/dbraw/zinc/04/36/40/351043640.db2.gz IQZHVJMPKVKKSQ-UHFFFAOYSA-N 0 3 292.386 2.666 20 30 CFEDHN Cc1ncccc1OC[C@@H]1CCCN1CC1(CC#N)CC1 ZINC000602848482 351044251 /nfs/dbraw/zinc/04/42/51/351044251.db2.gz VPCKPBQWMBJBRJ-HNNXBMFYSA-N 0 3 285.391 2.927 20 30 CFEDHN C[C@@H]1CN([C@H]2C=CCCCCC2)C[C@@H](C)N1CC#N ZINC000602851975 351045001 /nfs/dbraw/zinc/04/50/01/351045001.db2.gz ZJCLOJUBSNJUGK-OAGGEKHMSA-N 0 3 261.413 2.793 20 30 CFEDHN N#C[C@@H](c1ccccc1)N1CCCN(c2ccncc2)CC1 ZINC000602849981 351045206 /nfs/dbraw/zinc/04/52/06/351045206.db2.gz SQASNPJEQKZXHB-SFHVURJKSA-N 0 3 292.386 2.859 20 30 CFEDHN C[C@H]1CN(CCSC2CCCCC2)C[C@H](C)N1CC#N ZINC000602854680 351047733 /nfs/dbraw/zinc/04/77/33/351047733.db2.gz QBWSTLQPDDIKTM-GJZGRUSLSA-N 0 3 295.496 2.970 20 30 CFEDHN COC(=O)[C@@H]1CCN(CC2(CC#N)CC2)[C@@H]2CCCC[C@@H]12 ZINC000602887659 351058274 /nfs/dbraw/zinc/05/82/74/351058274.db2.gz JLZHLBQQRVCCME-RRFJBIMHSA-N 0 3 290.407 2.734 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnn2)CC1 ZINC000602890975 351059705 /nfs/dbraw/zinc/05/97/05/351059705.db2.gz FIUBLRFNAKFRIR-YOEHRIQHSA-N 0 3 295.390 2.938 20 30 CFEDHN CC(C)OCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906960 351062089 /nfs/dbraw/zinc/06/20/89/351062089.db2.gz JCQXBZPFIOAMKB-UHFFFAOYSA-N 0 3 273.380 2.558 20 30 CFEDHN CC1(C)C[C@H](N2CCC(c3ccc(C#N)cn3)CC2)CO1 ZINC000602906723 351062142 /nfs/dbraw/zinc/06/21/42/351062142.db2.gz NBKRBSPBAMSYNH-HNNXBMFYSA-N 0 3 285.391 2.700 20 30 CFEDHN N#Cc1ccc(C2CCN(CCc3cscn3)CC2)nc1 ZINC000602907543 351062985 /nfs/dbraw/zinc/06/29/85/351062985.db2.gz NOEDISSJMVERDY-UHFFFAOYSA-N 0 3 298.415 2.832 20 30 CFEDHN CCCCOCCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910393 351063006 /nfs/dbraw/zinc/06/30/06/351063006.db2.gz QUTNAKNWOLJINS-UHFFFAOYSA-N 0 3 287.407 2.949 20 30 CFEDHN C=CCC[C@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000602743179 351011981 /nfs/dbraw/zinc/01/19/81/351011981.db2.gz JDADQLZADJUFQW-NSHDSACASA-N 0 3 251.326 2.819 20 30 CFEDHN Cc1ccc(Cn2cc([C@H](N)C(C)(C)C)nn2)cc1C#N ZINC000603221527 351120131 /nfs/dbraw/zinc/12/01/31/351120131.db2.gz CGZAOAXQMLDKBL-HNNXBMFYSA-N 0 3 283.379 2.552 20 30 CFEDHN CCC[C@H](N)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603228590 351122494 /nfs/dbraw/zinc/12/24/94/351122494.db2.gz RFWMJHGIGNPYHO-RISCZKNCSA-N 0 3 269.352 2.559 20 30 CFEDHN CCC[C@@H](N)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603233243 351122980 /nfs/dbraw/zinc/12/29/80/351122980.db2.gz IUHBAGPGMMJSIJ-SMDDNHRTSA-N 0 3 269.352 2.559 20 30 CFEDHN COC(=O)[C@@]1(C)CN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000602929766 351069078 /nfs/dbraw/zinc/06/90/78/351069078.db2.gz VORHACQABRCREZ-AHIWAGSCSA-N 0 3 286.375 2.750 20 30 CFEDHN CC[C@]1(O)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000602983544 351084641 /nfs/dbraw/zinc/08/46/41/351084641.db2.gz MVBLSXBRNYWSFY-INIZCTEOSA-N 0 3 258.365 2.604 20 30 CFEDHN CC(C)(C#N)CCN1C[C@@H]2C[C@H]1CN2CCC(C)(C)C#N ZINC000602988295 351085926 /nfs/dbraw/zinc/08/59/26/351085926.db2.gz GFSDOBHMHIYULI-GJZGRUSLSA-N 0 3 288.439 2.625 20 30 CFEDHN CC1(F)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000602992900 351086814 /nfs/dbraw/zinc/08/68/14/351086814.db2.gz JGLDWGBNCGPLIR-UHFFFAOYSA-N 0 3 262.328 2.761 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1F ZINC000602997277 351087953 /nfs/dbraw/zinc/08/79/53/351087953.db2.gz GTTHCWOWBRFCJD-UAGQMJEPSA-N 0 3 288.366 2.823 20 30 CFEDHN CC[C@@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603250189 351125238 /nfs/dbraw/zinc/12/52/38/351125238.db2.gz KUQHSPALAUWCHP-CQSZACIVSA-N 0 3 283.379 2.537 20 30 CFEDHN C=CCCCN(C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000605740669 351257193 /nfs/dbraw/zinc/25/71/93/351257193.db2.gz ICQSTPMGCVKVRM-UHFFFAOYSA-N 0 3 290.451 2.825 20 30 CFEDHN C=CCCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000606439724 351270093 /nfs/dbraw/zinc/27/00/93/351270093.db2.gz SBPQMRRXVNLSLY-LLVKDONJSA-N 0 3 251.292 2.996 20 30 CFEDHN C=CCOc1cccc(CN(C)C2(CO)CCC2)c1 ZINC000668802657 539814625 /nfs/dbraw/zinc/81/46/25/539814625.db2.gz SHTKNIJPOCHYRH-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN CC(C)(C)N1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000609560687 351507055 /nfs/dbraw/zinc/50/70/55/351507055.db2.gz PCUVWONXTWSAMQ-UHFFFAOYSA-N 0 3 292.814 2.917 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc(F)ccc1F ZINC000609574699 351509061 /nfs/dbraw/zinc/50/90/61/351509061.db2.gz ZXQQSDVFSVRIEB-LLVKDONJSA-N 0 3 279.334 2.603 20 30 CFEDHN CC(C#N)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000609620202 351512095 /nfs/dbraw/zinc/51/20/95/351512095.db2.gz GYCANVOMZYUKNW-IKMFHRHGSA-N 0 3 260.381 2.869 20 30 CFEDHN CC(C)C[C@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000608823287 351477491 /nfs/dbraw/zinc/47/74/91/351477491.db2.gz DUSFNFJYAGVFLR-QGZVFWFLSA-N 0 3 299.418 2.950 20 30 CFEDHN CC(C#N)C(=O)N1CCC(c2ccccc2F)CC1 ZINC000609927052 351528694 /nfs/dbraw/zinc/52/86/94/351528694.db2.gz ISOFBUIRURGTFA-NSHDSACASA-N 0 3 260.312 2.691 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000610279955 351548031 /nfs/dbraw/zinc/54/80/31/351548031.db2.gz YJMSYFAXJNOKKS-ONGXEEELSA-N 0 3 264.760 2.501 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1cc(F)c(F)c(F)c1 ZINC000610813785 351612463 /nfs/dbraw/zinc/61/24/63/351612463.db2.gz SXENPBOEBXGFCV-SNVBAGLBSA-N 0 3 297.324 2.742 20 30 CFEDHN CC[C@H](CN1CCCC1)Nc1ccc(C#N)cc1F ZINC000610715916 351596382 /nfs/dbraw/zinc/59/63/82/351596382.db2.gz BGRIRUWOTADITK-CYBMUJFWSA-N 0 3 261.344 2.984 20 30 CFEDHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000610366791 351560117 /nfs/dbraw/zinc/56/01/17/351560117.db2.gz XRDRCBUTPHHZNX-XGUBFFRZSA-N 0 3 299.418 2.997 20 30 CFEDHN N#Cc1cc(CNC2(c3ccccc3)CCOCC2)ccn1 ZINC000610995025 351632623 /nfs/dbraw/zinc/63/26/23/351632623.db2.gz VFMCDSMYWQJHMR-UHFFFAOYSA-N 0 3 293.370 2.749 20 30 CFEDHN C[C@H]1CCC[C@@H](CCN2CCN(CCC#N)CC2)C1 ZINC000611175263 351646697 /nfs/dbraw/zinc/64/66/97/351646697.db2.gz ZDWHGBZZGRLWMN-HOTGVXAUSA-N 0 3 263.429 2.734 20 30 CFEDHN N#CCC[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1 ZINC000610972156 351626765 /nfs/dbraw/zinc/62/67/65/351626765.db2.gz DMNNHSIDNJWSOV-GDBMZVCRSA-N 0 3 295.390 2.559 20 30 CFEDHN N#CCC[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1 ZINC000610972159 351626992 /nfs/dbraw/zinc/62/69/92/351626992.db2.gz DMNNHSIDNJWSOV-ZBFHGGJFSA-N 0 3 295.390 2.559 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)Cc2ccnc(C#N)c2)C12CCC2 ZINC000610994511 351631074 /nfs/dbraw/zinc/63/10/74/351631074.db2.gz SGNWSOSDCXCXCS-CVEARBPZSA-N 0 3 285.391 2.733 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccnc(C#N)c1 ZINC000610995182 351632156 /nfs/dbraw/zinc/63/21/56/351632156.db2.gz ULMSRXUSOXHVRI-HZPDHXFCSA-N 0 3 287.407 2.979 20 30 CFEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000611392588 351680382 /nfs/dbraw/zinc/68/03/82/351680382.db2.gz WTVCQRZYEZXOCT-WBMJQRKESA-N 0 3 299.418 2.828 20 30 CFEDHN Cc1nccc([C@@H]2CCCN(CCC(C)(C)C#N)C2)n1 ZINC000611462465 351692504 /nfs/dbraw/zinc/69/25/04/351692504.db2.gz DEBXATWOQUFYJC-CQSZACIVSA-N 0 3 272.396 2.904 20 30 CFEDHN C[C@@H](N[C@@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000611465890 351693460 /nfs/dbraw/zinc/69/34/60/351693460.db2.gz DMPNOAILZHBPNE-QMTHXVAHSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(C)(C)O ZINC000611470170 351694183 /nfs/dbraw/zinc/69/41/83/351694183.db2.gz JGFRSKUIWDCTDJ-VHSXEESVSA-N 0 3 250.317 2.507 20 30 CFEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(CCC2CC2)CC1 ZINC000611552287 351707820 /nfs/dbraw/zinc/70/78/20/351707820.db2.gz UYQSJAABMRDCMX-KRWDZBQOSA-N 0 3 287.382 2.808 20 30 CFEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(CC2CCC2)CC1 ZINC000611553291 351707845 /nfs/dbraw/zinc/70/78/45/351707845.db2.gz WCPOJQNMCQFALU-QGZVFWFLSA-N 0 3 287.382 2.808 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000611559855 351708388 /nfs/dbraw/zinc/70/83/88/351708388.db2.gz CBIOJEOYKLXLDI-GFCCVEGCSA-N 0 3 294.351 2.847 20 30 CFEDHN C[C@H](NCC[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000611586140 351712691 /nfs/dbraw/zinc/71/26/91/351712691.db2.gz GGCGUZXGIAOZBD-AAEUAGOBSA-N 0 3 262.328 2.917 20 30 CFEDHN N#CCc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000612104509 351775065 /nfs/dbraw/zinc/77/50/65/351775065.db2.gz WBUKFKDFTGHVIV-LJQANCHMSA-N 0 3 292.382 2.676 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1 ZINC000612368923 351809373 /nfs/dbraw/zinc/80/93/73/351809373.db2.gz OUFLFUQAZZOKOH-QGZVFWFLSA-N 0 3 285.391 2.514 20 30 CFEDHN COc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123137171 187073174 /nfs/dbraw/zinc/07/31/74/187073174.db2.gz NCLJMPZJYZLQMA-UHFFFAOYSA-N 0 3 292.342 2.504 20 30 CFEDHN N#Cc1ccc2ncc(CNCCc3ccccc3F)n2c1 ZINC000123170950 187075943 /nfs/dbraw/zinc/07/59/43/187075943.db2.gz XKWZQTDRSGLPET-UHFFFAOYSA-N 0 3 294.333 2.677 20 30 CFEDHN C[C@@H](C#N)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612586555 351839996 /nfs/dbraw/zinc/83/99/96/351839996.db2.gz FSZJJMSWGBRSHO-GOEBONIOSA-N 0 3 271.408 2.789 20 30 CFEDHN CCCN1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000122649565 187043722 /nfs/dbraw/zinc/04/37/22/187043722.db2.gz WBGKJBVXVJMNLV-UHFFFAOYSA-N 0 3 263.410 2.537 20 30 CFEDHN C=CCOCCNCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000613239640 351922583 /nfs/dbraw/zinc/92/25/83/351922583.db2.gz JGNNAQBPMYOTIU-UHFFFAOYSA-N 0 3 291.391 2.934 20 30 CFEDHN CCn1nc(C)c(CN[C@H]2CCC[C@H](C#N)C2)c1C ZINC000613254739 351925539 /nfs/dbraw/zinc/92/55/39/351925539.db2.gz XNIWMOJUOPJETL-KBPBESRZSA-N 0 3 260.385 2.692 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000613389795 351949506 /nfs/dbraw/zinc/94/95/06/351949506.db2.gz RADZERBBUJNACC-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN COc1cccc2c1OCC[C@@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000613666844 351995068 /nfs/dbraw/zinc/99/50/68/351995068.db2.gz GETASFOEJUUFBO-SCRDCRAPSA-N 0 3 272.348 2.801 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CCCC(C)(C)C)CC1 ZINC000614911498 352131889 /nfs/dbraw/zinc/13/18/89/352131889.db2.gz PRAOGZZOZGAFCJ-HNNXBMFYSA-N 0 3 265.445 2.978 20 30 CFEDHN COC(=O)CC1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614397571 352089257 /nfs/dbraw/zinc/08/92/57/352089257.db2.gz GCABMCUQTXAFIA-UHFFFAOYSA-N 0 3 286.375 2.642 20 30 CFEDHN Cc1cc(C#N)ccc1CNC(C)(C)c1cnn(C)c1 ZINC000614405699 352090919 /nfs/dbraw/zinc/09/09/19/352090919.db2.gz CZIYTOTXUAWVRN-UHFFFAOYSA-N 0 3 268.364 2.625 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000614420524 352093234 /nfs/dbraw/zinc/09/32/34/352093234.db2.gz YPECMELDFFGCKC-MRXNPFEDSA-N 0 3 295.390 2.526 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1O ZINC000614595429 352106155 /nfs/dbraw/zinc/10/61/55/352106155.db2.gz SJUBBEPIDFALDP-CJNGLKHVSA-N 0 3 272.392 2.690 20 30 CFEDHN CC(=O)[C@@H]1CCCCN1C(=O)C(C#N)CCc1ccccc1 ZINC000615576434 352209064 /nfs/dbraw/zinc/20/90/64/352209064.db2.gz DCFSPFAIHGHVHP-SJORKVTESA-N 0 3 298.386 2.729 20 30 CFEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292052106 198145926 /nfs/dbraw/zinc/14/59/26/198145926.db2.gz BPXAQVOJDHVDIC-GFCCVEGCSA-N 0 3 278.352 2.747 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OCCCC)c1 ZINC000273497435 192175567 /nfs/dbraw/zinc/17/55/67/192175567.db2.gz OOWDWRXRBUROJG-OAHLLOKOSA-N 0 3 293.407 2.901 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000616775545 352428756 /nfs/dbraw/zinc/42/87/56/352428756.db2.gz CNNZUHGHEGRKSV-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN CC[C@@]1(NCc2ccc(C#N)cc2OC(F)F)CCOC1 ZINC000616866022 352436169 /nfs/dbraw/zinc/43/61/69/352436169.db2.gz HSDJUEHZAJAETJ-OAHLLOKOSA-N 0 3 296.317 2.818 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCN([C@H]3C=CCCC3)C2)nc1 ZINC000292089383 198158842 /nfs/dbraw/zinc/15/88/42/198158842.db2.gz FIXOGAQGEPRYSW-GJZGRUSLSA-N 0 3 269.348 2.515 20 30 CFEDHN C=CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000617614833 352604313 /nfs/dbraw/zinc/60/43/13/352604313.db2.gz PNEULEVZRVHZPK-UHFFFAOYSA-N 0 3 258.365 2.588 20 30 CFEDHN CN(C)CCOc1ccc(NCc2ccc(C#N)o2)cc1 ZINC000135189034 187804332 /nfs/dbraw/zinc/80/43/32/187804332.db2.gz WJQYSZGTMLHBRY-UHFFFAOYSA-N 0 3 285.347 2.704 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCc3cc(O)ccc3C2)o1 ZINC000618197827 352736721 /nfs/dbraw/zinc/73/67/21/352736721.db2.gz DGWBEDKSRSJDNS-ZDUSSCGKSA-N 0 3 268.316 2.504 20 30 CFEDHN Cc1ccoc1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000292149492 198182610 /nfs/dbraw/zinc/18/26/10/198182610.db2.gz JXLQHSKMRORHHQ-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN Cc1cc([C@H](C)NC2CCN(CC#N)CC2)c(C)o1 ZINC000618567900 352812066 /nfs/dbraw/zinc/81/20/66/352812066.db2.gz IGWWEQZGQIOWHB-LBPRGKRZSA-N 0 3 261.369 2.535 20 30 CFEDHN Cc1cc(CN2CC[C@@H](C(F)F)C2)ccc1C#N ZINC000618752762 352877116 /nfs/dbraw/zinc/87/71/16/352877116.db2.gz YOSCSSCMHPSUMC-CYBMUJFWSA-N 0 3 250.292 2.954 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618893793 352906964 /nfs/dbraw/zinc/90/69/64/352906964.db2.gz ZZZIIJAOJBURSW-IAGOWNOFSA-N 0 3 297.402 2.536 20 30 CFEDHN N#Cc1cccc(NC(=O)CN(CC2CC2)C2CCC2)c1 ZINC000619516950 353031621 /nfs/dbraw/zinc/03/16/21/353031621.db2.gz GKEWNQKFQFGARG-UHFFFAOYSA-N 0 3 283.375 2.761 20 30 CFEDHN CC1(C)C[C@@H](NCC2(C#N)CC2)CN1Cc1ccccc1 ZINC000619535187 353034214 /nfs/dbraw/zinc/03/42/14/353034214.db2.gz FHWDBKNMNRVVBP-MRXNPFEDSA-N 0 3 283.419 2.933 20 30 CFEDHN C[C@H](CCC#N)CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000619568642 353037137 /nfs/dbraw/zinc/03/71/37/353037137.db2.gz MRKWQNCEVJRJCR-SNVBAGLBSA-N 0 3 288.317 2.811 20 30 CFEDHN Cn1cccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748229 353062887 /nfs/dbraw/zinc/06/28/87/353062887.db2.gz CFCNWGDIZVGSHK-UHFFFAOYSA-N 0 3 259.740 2.840 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)cc1C ZINC000619781552 353066811 /nfs/dbraw/zinc/06/68/11/353066811.db2.gz KRBHVXNQICCHLP-OLZOCXBDSA-N 0 3 274.364 2.544 20 30 CFEDHN C[C@H]1CCN(CCCC2(C#N)CCOCC2)C[C@@H]1F ZINC000619621211 353040815 /nfs/dbraw/zinc/04/08/15/353040815.db2.gz NURHMGITUGHBNE-KBPBESRZSA-N 0 3 268.376 2.767 20 30 CFEDHN CCC(=O)Nc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000619672378 353048019 /nfs/dbraw/zinc/04/80/19/353048019.db2.gz SMTHWKDNQIYJOS-OCCSQVGLSA-N 0 3 271.364 2.817 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000152724459 188038651 /nfs/dbraw/zinc/03/86/51/188038651.db2.gz JQDJADATAIERKP-AEFFLSMTSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153321642 188076198 /nfs/dbraw/zinc/07/61/98/188076198.db2.gz PAKNZLFPTPRMHU-MRXNPFEDSA-N 0 3 290.363 2.886 20 30 CFEDHN C=CCN(C)C(=O)c1cccc(CN2CCCC2)c1 ZINC000154141714 188125577 /nfs/dbraw/zinc/12/55/77/188125577.db2.gz RMMANKKIZLNBOY-UHFFFAOYSA-N 0 3 258.365 2.540 20 30 CFEDHN C=C(C)CNC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000156231224 188250564 /nfs/dbraw/zinc/25/05/64/188250564.db2.gz KUJOAHCVVIOWBQ-UHFFFAOYSA-N 0 3 289.423 2.856 20 30 CFEDHN N#Cc1ccc(CNC(=O)CN(C2CCC2)C2CCC2)cc1 ZINC000292550900 198330375 /nfs/dbraw/zinc/33/03/75/198330375.db2.gz YNCJKSWSJVJZFB-UHFFFAOYSA-N 0 3 297.402 2.581 20 30 CFEDHN Cc1cnc(CCN(C)Cc2ccc(C#N)cc2)s1 ZINC000157710253 188333169 /nfs/dbraw/zinc/33/31/69/188333169.db2.gz LACYYPTVEYEQFY-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(C#N)cc1 ZINC000292585565 198340935 /nfs/dbraw/zinc/34/09/35/198340935.db2.gz ZTXWGHOVPCSODL-UONOGXRCSA-N 0 3 287.407 2.761 20 30 CFEDHN C=CCOCCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000292675726 198371855 /nfs/dbraw/zinc/37/18/55/198371855.db2.gz BKUIPMSOPFKKCO-UHFFFAOYSA-N 0 3 283.375 2.855 20 30 CFEDHN C=C(C)CN1CCC(NCc2ncc(C)s2)CC1 ZINC000295194372 199399765 /nfs/dbraw/zinc/39/97/65/199399765.db2.gz OIELGBMMXBTFPH-UHFFFAOYSA-N 0 3 265.426 2.582 20 30 CFEDHN C=C(C)CNCc1cc(C)c(Br)cn1 ZINC000623516828 353661754 /nfs/dbraw/zinc/66/17/54/353661754.db2.gz HCWVYRKOKHZOPF-UHFFFAOYSA-N 0 3 255.159 2.818 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C1 ZINC000623601409 353682725 /nfs/dbraw/zinc/68/27/25/353682725.db2.gz CGWOWDHTPZGDGT-OWCLPIDISA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000623753272 353719910 /nfs/dbraw/zinc/71/99/10/353719910.db2.gz VGNOCFHSMPBGNY-RDJZCZTQSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623898427 353753909 /nfs/dbraw/zinc/75/39/09/353753909.db2.gz JBMCMZBMEHAEGX-HNNXBMFYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000624315913 353860188 /nfs/dbraw/zinc/86/01/88/353860188.db2.gz GQARWFZCFXLNAO-CABCVRRESA-N 0 3 293.455 2.905 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000625700081 354087805 /nfs/dbraw/zinc/08/78/05/354087805.db2.gz IWTLBCFCEOUMIC-AWEZNQCLSA-N 0 3 290.382 2.682 20 30 CFEDHN C=CC[C@H]1CCN(CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000625701997 354089986 /nfs/dbraw/zinc/08/99/86/354089986.db2.gz DCTORKBKGVSTEP-ZDUSSCGKSA-N 0 3 283.375 2.776 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCc2ccc(C)cc2)C1 ZINC000625703154 354090325 /nfs/dbraw/zinc/09/03/25/354090325.db2.gz LTKBTEXZYABYRC-INIZCTEOSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000625703990 354090868 /nfs/dbraw/zinc/09/08/68/354090868.db2.gz QMNOYCQWXREABG-KGLIPLIRSA-N 0 3 290.382 2.901 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCC2CCCCC2)C1 ZINC000625703995 354091081 /nfs/dbraw/zinc/09/10/81/354091081.db2.gz QMYAYWPMRMWZSR-HNNXBMFYSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCC2CCCCC2)C1 ZINC000625703996 354091118 /nfs/dbraw/zinc/09/11/18/354091118.db2.gz QMYAYWPMRMWZSR-OAHLLOKOSA-N 0 3 264.413 2.581 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000625786382 354111141 /nfs/dbraw/zinc/11/11/41/354111141.db2.gz ZTZKJNAJXVKNKW-GDBMZVCRSA-N 0 3 260.381 2.840 20 30 CFEDHN C=CCC1(NCc2ncnn2CCF)CCCCC1 ZINC000625934319 354149015 /nfs/dbraw/zinc/14/90/15/354149015.db2.gz JKWZEUUGARSDBY-UHFFFAOYSA-N 0 3 266.364 2.616 20 30 CFEDHN CC#CCN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625997728 354164215 /nfs/dbraw/zinc/16/42/15/354164215.db2.gz MXEKUPJFPDNOGI-UHFFFAOYSA-N 0 3 273.380 2.615 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCC(=O)NC23CCC3)c1F ZINC000328694740 202016563 /nfs/dbraw/zinc/01/65/63/202016563.db2.gz KCXWTBWPHRLQBY-ZDUSSCGKSA-N 0 3 287.338 2.829 20 30 CFEDHN C=CCn1cc(CNC[C@@H](C)c2ccc(C)cc2)nn1 ZINC000628318740 354543821 /nfs/dbraw/zinc/54/38/21/354543821.db2.gz QXWSNSSMYXOJDS-CQSZACIVSA-N 0 3 270.380 2.666 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H](C)c2ccc(C)cc2)C1=O ZINC000628259125 354508153 /nfs/dbraw/zinc/50/81/53/354508153.db2.gz HVUGCCMUMHSDPB-RDJZCZTQSA-N 0 3 286.419 2.817 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnc(C2CC2)o1 ZINC000628258515 354508610 /nfs/dbraw/zinc/50/86/10/354508610.db2.gz HJWJRWJBDYSQHU-JSGCOSHPSA-N 0 3 262.353 2.623 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000628405206 354578954 /nfs/dbraw/zinc/57/89/54/354578954.db2.gz GOGPVBMVVHWUMW-LBPRGKRZSA-N 0 3 275.348 2.822 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnc(N(C)C)s2)C1 ZINC000628405712 354579027 /nfs/dbraw/zinc/57/90/27/354579027.db2.gz RXQZFFBJPIMCQM-NSHDSACASA-N 0 3 251.399 2.607 20 30 CFEDHN C=CCOc1cccc(CN(C)CC2(C)COC2)c1 ZINC000628423518 354584277 /nfs/dbraw/zinc/58/42/77/354584277.db2.gz YTSUOWDWFJRAPR-UHFFFAOYSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CCC(C)(C)CNCc1cnc(-c2cnn(C)c2)nc1 ZINC000339416064 540035973 /nfs/dbraw/zinc/03/59/73/540035973.db2.gz KKUGPKHXPWXVDM-UHFFFAOYSA-N 0 3 285.395 2.569 20 30 CFEDHN N#C[C@@H]1CCC[C@H]1N[C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000333028950 283057593 /nfs/dbraw/zinc/05/75/93/283057593.db2.gz BTFOJSYWYVESMG-SLEUVZQESA-N 0 3 265.360 2.917 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCCN(C3CCCCC3)C2=O)C1 ZINC000333141799 283057785 /nfs/dbraw/zinc/05/77/85/283057785.db2.gz YXSWJBHYHJRMOQ-IIAWOOMASA-N 0 3 289.423 2.592 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000630439158 355084538 /nfs/dbraw/zinc/08/45/38/355084538.db2.gz MYSDWYAUSDUFGL-HNNXBMFYSA-N 0 3 272.392 2.762 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000630592682 355122444 /nfs/dbraw/zinc/12/24/44/355122444.db2.gz VGVNICORATXICQ-MRXNPFEDSA-N 0 3 284.403 2.733 20 30 CFEDHN C=C1CC(C)(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000630660658 355142292 /nfs/dbraw/zinc/14/22/92/355142292.db2.gz LVMQYIDDAALWAZ-UHFFFAOYSA-N 0 3 272.392 2.721 20 30 CFEDHN C[C@@H](N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000271822300 191347791 /nfs/dbraw/zinc/34/77/91/191347791.db2.gz CMOBPKYEINNYJF-FZKQIMNGSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1cc(C)no1)C(C)C ZINC000631040164 355261048 /nfs/dbraw/zinc/26/10/48/355261048.db2.gz QFFHOHHSQHJRNE-MRXNPFEDSA-N 0 3 277.412 2.771 20 30 CFEDHN C=C1CC(C)(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000631285875 355386952 /nfs/dbraw/zinc/38/69/52/355386952.db2.gz KQQYPSUFCWHNFY-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CC[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CCOCC3)[n-]2)C1 ZINC000631214197 355353472 /nfs/dbraw/zinc/35/34/72/355353472.db2.gz SZWXQCFRSRFFPF-JSGCOSHPSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2nnc(C3CCOCC3)[nH]2)C1 ZINC000631214197 355353475 /nfs/dbraw/zinc/35/34/75/355353475.db2.gz SZWXQCFRSRFFPF-JSGCOSHPSA-N 0 3 290.411 2.533 20 30 CFEDHN C=CCCC(C)(C)CNCc1ncnn1C(C)C ZINC000631216897 355355528 /nfs/dbraw/zinc/35/55/28/355355528.db2.gz CTRKMSUAGWUVRU-UHFFFAOYSA-N 0 3 250.390 2.941 20 30 CFEDHN C=CCCn1cc(CNCCC(C)(C)CC)nn1 ZINC000631219927 355357377 /nfs/dbraw/zinc/35/73/77/355357377.db2.gz NGRDGEBZWATJQS-UHFFFAOYSA-N 0 3 250.390 2.770 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000631220206 355357416 /nfs/dbraw/zinc/35/74/16/355357416.db2.gz QKAGWGRLFFPBQI-DVOMOZLQSA-N 0 3 261.365 2.907 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000631222505 355358923 /nfs/dbraw/zinc/35/89/23/355358923.db2.gz QARDFWPNLHXYQP-HNNXBMFYSA-N 0 3 286.419 2.979 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2nc1C ZINC000451684454 540211515 /nfs/dbraw/zinc/21/15/15/540211515.db2.gz XRJMGFOBKXEFBY-WBVHZDCISA-N 0 3 283.375 2.761 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)CC1CCN(C)CC1 ZINC000633410807 355895117 /nfs/dbraw/zinc/89/51/17/355895117.db2.gz CWOPTKAFXVDPFJ-UHFFFAOYSA-N 0 3 295.471 2.962 20 30 CFEDHN N#Cc1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)o1 ZINC000291707852 283140200 /nfs/dbraw/zinc/14/02/00/283140200.db2.gz ZPWNUJALGVUKBE-OAHLLOKOSA-N 0 3 293.370 2.788 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCC[C@@H]2O)c(C(F)(F)F)c1 ZINC000352847595 283146453 /nfs/dbraw/zinc/14/64/53/283146453.db2.gz VPKDGQDUGLREFA-OCCSQVGLSA-N 0 3 298.308 2.828 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCCCO1)CC2 ZINC000336560092 283196965 /nfs/dbraw/zinc/19/69/65/283196965.db2.gz YMKKBKQRPYOIJF-ZBFHGGJFSA-N 0 3 256.349 2.704 20 30 CFEDHN N#Cc1cnc2ccccc2c1N1CC[C@H](N2CC=CC2)C1 ZINC000266269063 283242913 /nfs/dbraw/zinc/24/29/13/283242913.db2.gz QSMVRZQUWVCCCC-HNNXBMFYSA-N 0 3 290.370 2.557 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000343472342 540430165 /nfs/dbraw/zinc/43/01/65/540430165.db2.gz FWSASABOAQHDLZ-HUUCEWRRSA-N 0 3 285.391 2.708 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)NCc1ccc(C#N)s1 ZINC000421921235 237007986 /nfs/dbraw/zinc/00/79/86/237007986.db2.gz PXHWQXKMKVOYOZ-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(C)s1 ZINC000297065458 200075956 /nfs/dbraw/zinc/07/59/56/200075956.db2.gz ZEXOZVPJTMHDEU-WCQYABFASA-N 0 3 252.383 2.522 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(C)(C)c2ccccc2)C1=O ZINC000671245693 540594607 /nfs/dbraw/zinc/59/46/07/540594607.db2.gz HAGFKBKZQKYVJM-HNNXBMFYSA-N 0 3 272.392 2.640 20 30 CFEDHN C=CC[C@H](CO)NCc1c(C)nc2scc(C3CC3)n12 ZINC000297831065 200289177 /nfs/dbraw/zinc/28/91/77/200289177.db2.gz ZRXRPVJDPAKOGP-GFCCVEGCSA-N 0 3 291.420 2.608 20 30 CFEDHN C#C[C@@H](C)NCc1cc(Br)c(O)c(OCC)c1 ZINC000298033187 200320043 /nfs/dbraw/zinc/32/00/43/200320043.db2.gz GFZAZWAOKCXCBB-SECBINFHSA-N 0 3 298.180 2.665 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1ccccc1Cl ZINC000298107685 200335725 /nfs/dbraw/zinc/33/57/25/200335725.db2.gz JHQBUBSGXGXCGZ-UHFFFAOYSA-N 0 3 264.756 2.624 20 30 CFEDHN CCN1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000176967717 189017758 /nfs/dbraw/zinc/01/77/58/189017758.db2.gz SOWUDUQVXRROFD-GFCCVEGCSA-N 0 3 263.410 2.584 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC(C)(C)C1)C(C)C ZINC000683977388 540793054 /nfs/dbraw/zinc/79/30/54/540793054.db2.gz QGUSFKHRDLJKSE-HNNXBMFYSA-N 0 3 293.455 2.736 20 30 CFEDHN C=CCC[C@@H](NCC(=O)NCCC)c1ccccc1 ZINC000178755848 189143118 /nfs/dbraw/zinc/14/31/18/189143118.db2.gz MNGMWHUDJWLBHZ-OAHLLOKOSA-N 0 3 260.381 2.810 20 30 CFEDHN CN1CC[C@H](NCc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000179045805 189164435 /nfs/dbraw/zinc/16/44/35/189164435.db2.gz DIDDEHHZFLFIHV-IRXDYDNUSA-N 0 3 281.359 2.686 20 30 CFEDHN C#CCCOc1ccc(CN(C)[C@@H](C)COC)cc1 ZINC000179370633 189189576 /nfs/dbraw/zinc/18/95/76/189189576.db2.gz LHSGUHRQSPENOK-AWEZNQCLSA-N 0 3 261.365 2.555 20 30 CFEDHN C=CCc1cc(CN(C)[C@H](C)COC)cc(OC)c1O ZINC000179368472 189189885 /nfs/dbraw/zinc/18/98/85/189189885.db2.gz KQAMAPDAIJEEGZ-GFCCVEGCSA-N 0 3 279.380 2.596 20 30 CFEDHN C=C(C)CCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000387473212 540864945 /nfs/dbraw/zinc/86/49/45/540864945.db2.gz UEKAONGXKGUQKH-ZDUSSCGKSA-N 0 3 283.368 2.600 20 30 CFEDHN C#CCCCCC(=O)NCc1cccc(CN(C)C)c1 ZINC000179701513 189214497 /nfs/dbraw/zinc/21/44/97/189214497.db2.gz HSXCWJGAWRPHGO-UHFFFAOYSA-N 0 3 272.392 2.558 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000180034147 189233552 /nfs/dbraw/zinc/23/35/52/189233552.db2.gz SHQXJEPFCUTDPR-IUODEOHRSA-N 0 3 258.365 2.517 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(c2cccc(OC)c2)CC1 ZINC000682032055 541055997 /nfs/dbraw/zinc/05/59/97/541055997.db2.gz CCWZRVKMLHDTTA-QGZVFWFLSA-N 0 3 275.392 2.812 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cccc(C#N)c1F ZINC000451677315 383681084 /nfs/dbraw/zinc/68/10/84/383681084.db2.gz BSUXBMGATAZSDE-KGLIPLIRSA-N 0 3 260.312 2.521 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2csc(C)c2)CC1 ZINC000671704350 541055291 /nfs/dbraw/zinc/05/52/91/541055291.db2.gz KDCXEBZMHJLGFT-UHFFFAOYSA-N 0 3 278.421 2.827 20 30 CFEDHN C[C@H]1CCCN(CCNc2ccc(F)cc2C#N)C1 ZINC000301544312 201060253 /nfs/dbraw/zinc/06/02/53/201060253.db2.gz SVJKWULDKQRHII-LBPRGKRZSA-N 0 3 261.344 2.841 20 30 CFEDHN C=CCCNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000666139594 541065301 /nfs/dbraw/zinc/06/53/01/541065301.db2.gz QRYIKRPTXLABNV-UHFFFAOYSA-N 0 3 291.395 2.633 20 30 CFEDHN CC[C@@H](C)[C@H](C)[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000183040528 189344223 /nfs/dbraw/zinc/34/42/23/189344223.db2.gz WCMJWZVGUWQZGR-KOLCDFICSA-N 0 3 277.368 2.731 20 30 CFEDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000183040528 189344224 /nfs/dbraw/zinc/34/42/24/189344224.db2.gz WCMJWZVGUWQZGR-KOLCDFICSA-N 0 3 277.368 2.731 20 30 CFEDHN CN1CCC(Nc2cc(C#N)nc3ccccc32)CC1 ZINC000301727241 201162081 /nfs/dbraw/zinc/16/20/81/201162081.db2.gz NETIYTGSPIENDW-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN CN(C[C@H]1CCCN(C)C1)c1nc2c(cc1C#N)CCCC2 ZINC000301900862 201254949 /nfs/dbraw/zinc/25/49/49/201254949.db2.gz VBPZWTCJGZRZFJ-AWEZNQCLSA-N 0 3 298.434 2.610 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](O)C(C)(C)C ZINC000425530955 239091400 /nfs/dbraw/zinc/09/14/00/239091400.db2.gz GLOFNVSEOOAVBX-IUODEOHRSA-N 0 3 260.381 2.958 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2cccc(C#N)c2)C1 ZINC000187617370 189471401 /nfs/dbraw/zinc/47/14/01/189471401.db2.gz URBQNBOCDSDNTN-MRXNPFEDSA-N 0 3 258.365 2.543 20 30 CFEDHN C[C@H]1COCC[C@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000433154148 240112625 /nfs/dbraw/zinc/11/26/25/240112625.db2.gz ADSMDXKRGJXRKZ-GXFFZTMASA-N 0 3 296.317 2.674 20 30 CFEDHN C[C@@H]1COCC[C@@H]1NCc1ccc(C#N)cc1OC(F)F ZINC000433154150 240112895 /nfs/dbraw/zinc/11/28/95/240112895.db2.gz ADSMDXKRGJXRKZ-MFKMUULPSA-N 0 3 296.317 2.674 20 30 CFEDHN Cc1ccn(C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000434510665 240239753 /nfs/dbraw/zinc/23/97/53/240239753.db2.gz NRJNIVQQOMMXAL-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN CC1(C)CCCN(CCNc2c(C#N)cccc2C#N)C1 ZINC000443972726 241101100 /nfs/dbraw/zinc/10/11/00/241101100.db2.gz NPWPXYMZBPMGBS-UHFFFAOYSA-N 0 3 282.391 2.964 20 30 CFEDHN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000443318358 241052858 /nfs/dbraw/zinc/05/28/58/241052858.db2.gz JPFPMDIJXNFNKI-BFQNTYOBSA-N 0 3 276.355 2.679 20 30 CFEDHN CC1(C)CCCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000446084248 241278098 /nfs/dbraw/zinc/27/80/98/241278098.db2.gz TUHGPPDAUYACMV-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)CO ZINC000674250792 541551183 /nfs/dbraw/zinc/55/11/83/541551183.db2.gz GQSXYWBRXDLIFR-UHFFFAOYSA-N 0 3 285.309 2.760 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449551699 242022634 /nfs/dbraw/zinc/02/26/34/242022634.db2.gz HBZQHKSLELZUNK-XOKHGSTOSA-N 0 3 270.376 2.541 20 30 CFEDHN CC1(C)CCCN1CCNCc1ccc(C#N)cc1F ZINC000449784885 242161664 /nfs/dbraw/zinc/16/16/64/242161664.db2.gz ZCCTZEQTKNLIBA-UHFFFAOYSA-N 0 3 275.371 2.661 20 30 CFEDHN CN(Cc1cn2ccccc2c1C#N)[C@H]1CC[C@H](O)CC1 ZINC000275877136 193154636 /nfs/dbraw/zinc/15/46/36/193154636.db2.gz PKXYEBQIZMXVCN-SHTZXODSSA-N 0 3 283.375 2.546 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C)cc1CN(C)C ZINC000449861432 242189337 /nfs/dbraw/zinc/18/93/37/242189337.db2.gz PNWLCZLDGSCIOD-UHFFFAOYSA-N 0 3 296.374 2.817 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)[C@@H]1C ZINC000346673470 284066485 /nfs/dbraw/zinc/06/64/85/284066485.db2.gz VACAKYDNISFZDK-YWPYICTPSA-N 0 3 272.348 2.503 20 30 CFEDHN CCN1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000276068339 193203756 /nfs/dbraw/zinc/20/37/56/193203756.db2.gz QQPJBMBHKRQOEI-AWEZNQCLSA-N 0 3 257.381 2.647 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)[C@@H](C2CC2)N2CCCC2)c1 ZINC000456972375 244341231 /nfs/dbraw/zinc/34/12/31/244341231.db2.gz USALGTOEERRQJM-MRXNPFEDSA-N 0 3 283.375 2.680 20 30 CFEDHN C=CCCN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000276156694 193228893 /nfs/dbraw/zinc/22/88/93/193228893.db2.gz PWFJZQGJMHCQHB-UHFFFAOYSA-N 0 3 272.392 2.931 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000276355112 193297353 /nfs/dbraw/zinc/29/73/53/193297353.db2.gz DXLCOVFRDQTBCX-OAHLLOKOSA-N 0 3 274.408 2.932 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000276598934 193395587 /nfs/dbraw/zinc/39/55/87/193395587.db2.gz FVXXGDAEKUBCLD-CABCVRRESA-N 0 3 275.396 2.578 20 30 CFEDHN COC(=O)[C@@]1(C)CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000412060852 284230149 /nfs/dbraw/zinc/23/01/49/284230149.db2.gz GVQJRLRZXGBSBZ-DYVFJYSZSA-N 0 3 286.375 2.894 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000459470823 245191314 /nfs/dbraw/zinc/19/13/14/245191314.db2.gz WBEPZNXJKWTLSO-BETUJISGSA-N 0 3 275.371 2.612 20 30 CFEDHN CC(C)C[C@@H]1C[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000459663395 245262897 /nfs/dbraw/zinc/26/28/97/245262897.db2.gz DVZPCEOSOQDDSK-UKRRQHHQSA-N 0 3 268.364 2.730 20 30 CFEDHN CC[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000331999507 204377051 /nfs/dbraw/zinc/37/70/51/204377051.db2.gz OKAYXBLDZOBXCI-OAHLLOKOSA-N 0 3 299.418 2.687 20 30 CFEDHN N#Cc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000020120828 372234764 /nfs/dbraw/zinc/23/47/64/372234764.db2.gz JSWMGCNJDKUUKN-UHFFFAOYSA-N 0 3 280.327 2.619 20 30 CFEDHN C[C@@H](N(C)CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000027132441 372334718 /nfs/dbraw/zinc/33/47/18/372334718.db2.gz GBAJKCVFJXJPJW-GFCCVEGCSA-N 0 3 273.380 2.863 20 30 CFEDHN CC(C)CN(CC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000029724059 372384332 /nfs/dbraw/zinc/38/43/32/372384332.db2.gz ABVJTNCGQWUMEZ-UHFFFAOYSA-N 0 3 273.380 2.863 20 30 CFEDHN C[C@H](C1CC1)N(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000029724857 372384482 /nfs/dbraw/zinc/38/44/82/372384482.db2.gz IEHZIKNLISGIOC-GFCCVEGCSA-N 0 3 283.375 2.760 20 30 CFEDHN COCc1cccc(CNCc2cccc(C#N)c2)c1 ZINC000037999882 372757916 /nfs/dbraw/zinc/75/79/16/372757916.db2.gz AIDIEXMWZZCEQS-UHFFFAOYSA-N 0 3 266.344 2.994 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)C(C)(C)C#N)c1ccccc1 ZINC000042107659 372873357 /nfs/dbraw/zinc/87/33/57/372873357.db2.gz AVJYKKMOHPDODD-HNNXBMFYSA-N 0 3 287.407 2.735 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2C)C1 ZINC000263755270 383687227 /nfs/dbraw/zinc/68/72/27/383687227.db2.gz TXNZQHKUTRJEGX-INIZCTEOSA-N 0 3 299.418 2.547 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H](C)SC)C(C)C ZINC000047851866 373122730 /nfs/dbraw/zinc/12/27/30/373122730.db2.gz BRXKZNZLFZHRFQ-KBPBESRZSA-N 0 3 284.469 2.553 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000049492001 373304546 /nfs/dbraw/zinc/30/45/46/373304546.db2.gz WSWYCGBQDXJRNP-CJNGLKHVSA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)CN(C(=O)c1cccc(C#N)c1)C1CCN(C)CC1 ZINC000053222529 373471043 /nfs/dbraw/zinc/47/10/43/373471043.db2.gz MORPCKDSAVKCSX-UHFFFAOYSA-N 0 3 299.418 2.751 20 30 CFEDHN CN(C)CCN(C(=O)c1sccc1C#N)c1ccccc1 ZINC000052050616 373432755 /nfs/dbraw/zinc/43/27/55/373432755.db2.gz TWEUSZOZGGIWOL-UHFFFAOYSA-N 0 3 299.399 2.828 20 30 CFEDHN CCN(CCC(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340506 373520461 /nfs/dbraw/zinc/52/04/61/373520461.db2.gz FZQMBYBVXWSNKN-LBPRGKRZSA-N 0 3 260.337 2.504 20 30 CFEDHN C=CCN(CCC(=O)OCC)Cc1ccc(OC)cc1 ZINC000055059251 373536140 /nfs/dbraw/zinc/53/61/40/373536140.db2.gz KKRZVQSHECFXBE-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN Cc1cc(C)c(C#N)c(N2CCN(C3CCCC3)CC2)n1 ZINC000055387557 373548814 /nfs/dbraw/zinc/54/88/14/373548814.db2.gz OIHUJPPZVJJYKD-UHFFFAOYSA-N 0 3 284.407 2.635 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H]1CC(C)(C)C ZINC000057863993 373617046 /nfs/dbraw/zinc/61/70/46/373617046.db2.gz OAPPYKNJTSRKCP-RHSMWYFYSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCNC(=O)CN(CCC)CC1CCCCC1 ZINC000060495780 373697422 /nfs/dbraw/zinc/69/74/22/373697422.db2.gz DQWZCICSRNVSPJ-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640064206 383694990 /nfs/dbraw/zinc/69/49/90/383694990.db2.gz RMBBDZGUQKLYHQ-GHMZBOCLSA-N 0 3 258.321 2.986 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000431755882 383695158 /nfs/dbraw/zinc/69/51/58/383695158.db2.gz FAGCCIBFAXETFU-ZBFHGGJFSA-N 0 3 287.407 2.688 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000067126065 373971079 /nfs/dbraw/zinc/97/10/79/373971079.db2.gz XRHNZTSKGJYFDM-UHFFFAOYSA-N 0 3 294.757 2.763 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000067708037 373993509 /nfs/dbraw/zinc/99/35/09/373993509.db2.gz WMJYREDMLSATEH-HNNXBMFYSA-N 0 3 281.444 2.714 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000069072251 374045362 /nfs/dbraw/zinc/04/53/62/374045362.db2.gz XCIFGORKIGOXPQ-QGZVFWFLSA-N 0 3 288.391 2.576 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCCCC1 ZINC000069038710 374045820 /nfs/dbraw/zinc/04/58/20/374045820.db2.gz DABOTODQDKUUJT-CQSZACIVSA-N 0 3 277.412 2.594 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000645416451 383697037 /nfs/dbraw/zinc/69/70/37/383697037.db2.gz QOEBLUVGRDAYHU-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN CCCCO[C@@H]1C[C@@H](N(C)CC#CCOC)C1(C)C ZINC000677819276 541910317 /nfs/dbraw/zinc/91/03/17/541910317.db2.gz WBBXOGHNPUXMCJ-HUUCEWRRSA-N 0 3 267.413 2.552 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1ccccc1C ZINC000076737256 374557048 /nfs/dbraw/zinc/55/70/48/374557048.db2.gz JEGRJQZLGPULNU-UHFFFAOYSA-N 0 3 274.408 2.851 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000076734869 374557079 /nfs/dbraw/zinc/55/70/79/374557079.db2.gz CQEPXTNABKSOEK-RRFJBIMHSA-N 0 3 266.429 2.968 20 30 CFEDHN Cc1nc(C)c(CNCc2ccc(C#N)cc2)s1 ZINC000080693616 374669348 /nfs/dbraw/zinc/66/93/48/374669348.db2.gz WPPVKSKAXDQVIL-UHFFFAOYSA-N 0 3 257.362 2.921 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](CCO)C2)c1 ZINC000678240121 541981797 /nfs/dbraw/zinc/98/17/97/541981797.db2.gz JZFPOCXJLUMRGM-HNNXBMFYSA-N 0 3 275.392 2.846 20 30 CFEDHN CN(C)Cc1ccccc1CNC(=O)c1cc(C#N)cs1 ZINC000084167534 374767122 /nfs/dbraw/zinc/76/71/22/374767122.db2.gz WSTFUQPLVYSORC-UHFFFAOYSA-N 0 3 299.399 2.611 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000089633822 374931930 /nfs/dbraw/zinc/93/19/30/374931930.db2.gz GBRCATKYHNRQCY-ZFWWWQNUSA-N 0 3 281.421 2.717 20 30 CFEDHN C[C@@H](O)CCN(C)Cc1cccc(OCCCC#N)c1 ZINC000093481360 375252539 /nfs/dbraw/zinc/25/25/39/375252539.db2.gz ISERYXMPRQBPIF-CQSZACIVSA-N 0 3 276.380 2.572 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](COC)C1 ZINC000093337894 375215145 /nfs/dbraw/zinc/21/51/45/375215145.db2.gz WTFSDYPBDVXHFM-OAHLLOKOSA-N 0 3 273.376 2.557 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](COCC)C1 ZINC000093839175 375318447 /nfs/dbraw/zinc/31/84/47/375318447.db2.gz YHNPWFUWWXBLFB-HNNXBMFYSA-N 0 3 273.376 2.557 20 30 CFEDHN CSCC[C@@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000093558704 375267314 /nfs/dbraw/zinc/26/73/14/375267314.db2.gz PXIJWYGHKNTLOJ-GFCCVEGCSA-N 0 3 288.420 2.779 20 30 CFEDHN CCc1nc(CCNCc2ccc(C#N)cc2)cs1 ZINC000102431333 375675169 /nfs/dbraw/zinc/67/51/69/375675169.db2.gz BLJMYCHOSIBEGF-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](OCCC)CC1 ZINC000108396395 375817453 /nfs/dbraw/zinc/81/74/53/375817453.db2.gz XHMYUYNWIGASBJ-INIZCTEOSA-N 0 3 296.455 2.692 20 30 CFEDHN CC[C@H](C)CN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000111255265 375835165 /nfs/dbraw/zinc/83/51/65/375835165.db2.gz URHAWLJHMSTWHC-HNNXBMFYSA-N 0 3 287.407 2.911 20 30 CFEDHN COCC#CCN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000678731174 542062096 /nfs/dbraw/zinc/06/20/96/542062096.db2.gz KHLBILVOEWEULB-CQSZACIVSA-N 0 3 257.377 2.866 20 30 CFEDHN C=CCCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000112187048 375890839 /nfs/dbraw/zinc/89/08/39/375890839.db2.gz DCRRQDUUQBSLMI-UHFFFAOYSA-N 0 3 296.480 2.821 20 30 CFEDHN C[C@@H]1CCC[C@@H](CCN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115602336 376142940 /nfs/dbraw/zinc/14/29/40/376142940.db2.gz URZNFVWTZGUEIU-KEYYUXOJSA-N 0 3 299.418 2.891 20 30 CFEDHN CCN(CC(=O)Nc1cccc(C#N)c1)[C@H](C)C(C)C ZINC000118832988 376318076 /nfs/dbraw/zinc/31/80/76/376318076.db2.gz LHZLAXWCKPDGCO-CYBMUJFWSA-N 0 3 273.380 2.863 20 30 CFEDHN C[C@@H]1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000119278584 376383854 /nfs/dbraw/zinc/38/38/54/376383854.db2.gz URXMJJBIUJVQEF-NQBHXWOUSA-N 0 3 291.420 2.973 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000120898862 376718005 /nfs/dbraw/zinc/71/80/05/376718005.db2.gz RNWIZHYIFBELQN-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN C=CCN1CCC(NC(=O)C=C2CCCCC2)CC1 ZINC000264517745 190115513 /nfs/dbraw/zinc/11/55/13/190115513.db2.gz VPWWNPDCOQZKIU-UHFFFAOYSA-N 0 3 262.397 2.644 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000678892349 542089739 /nfs/dbraw/zinc/08/97/39/542089739.db2.gz FWQLAPWISNYKAM-HOTGVXAUSA-N 0 3 261.365 2.673 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000678892350 542090019 /nfs/dbraw/zinc/09/00/19/542090019.db2.gz FWQLAPWISNYKAM-HZPDHXFCSA-N 0 3 261.365 2.673 20 30 CFEDHN N#CC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000123690627 376969652 /nfs/dbraw/zinc/96/96/52/376969652.db2.gz QKHNRBMBCZAFBM-UHFFFAOYSA-N 0 3 266.348 2.812 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(c2nc(C)cs2)CC1 ZINC000124950569 377104000 /nfs/dbraw/zinc/10/40/00/377104000.db2.gz RVIFURJQZYCKJK-CQSZACIVSA-N 0 3 280.437 2.958 20 30 CFEDHN C=C(C)COCCNCc1cnn(-c2ccccc2)c1 ZINC000125785544 377191560 /nfs/dbraw/zinc/19/15/60/377191560.db2.gz MYESOLWQBAZDKK-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000451827036 383719123 /nfs/dbraw/zinc/71/91/23/383719123.db2.gz SWYXIFMLGBGVNW-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN C[C@@H]1C[C@@H](NC2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603759 377289790 /nfs/dbraw/zinc/28/97/90/377289790.db2.gz ACRYBZNZIUUPAX-ZVOPMHIBSA-N 0 3 295.430 2.825 20 30 CFEDHN C[C@H]1C[C@@H](NC2CC(C#N)(c3ccccc3)C2)CN1C1CC1 ZINC000127603975 377291112 /nfs/dbraw/zinc/29/11/12/377291112.db2.gz ACRYBZNZIUUPAX-CDRDHLPWSA-N 0 3 295.430 2.825 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2nc(C)sc21 ZINC000679576887 542211285 /nfs/dbraw/zinc/21/12/85/542211285.db2.gz XFIWAUACOZPZLG-NSHDSACASA-N 0 3 252.383 2.621 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(C(C)C)CC1 ZINC000131131429 377663401 /nfs/dbraw/zinc/66/34/01/377663401.db2.gz BWUCFXCZUJPCMJ-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000131636671 377737667 /nfs/dbraw/zinc/73/76/67/377737667.db2.gz ZJEWBTAODUTZDA-DZGCQCFKSA-N 0 3 258.365 2.523 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000133112343 377905040 /nfs/dbraw/zinc/90/50/40/377905040.db2.gz CBXRJEHISGXKLZ-JOIQJPDISA-N 0 3 290.407 2.961 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCc3ccccc3C2)o1 ZINC000135128525 378085982 /nfs/dbraw/zinc/08/59/82/378085982.db2.gz AFTPTXXOZXGGQJ-CQSZACIVSA-N 0 3 252.317 2.798 20 30 CFEDHN Cc1ccnc(N[C@H](C)CN2CCCCC2)c1C#N ZINC000135068431 378079110 /nfs/dbraw/zinc/07/91/10/378079110.db2.gz PKSSUTYVYZTBIV-CYBMUJFWSA-N 0 3 258.369 2.548 20 30 CFEDHN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(CCCC#N)C1 ZINC000135476794 378137546 /nfs/dbraw/zinc/13/75/46/378137546.db2.gz QHDRPSHVKGESTL-CVEARBPZSA-N 0 3 286.375 2.569 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(CCCC#N)C1 ZINC000135476775 378138476 /nfs/dbraw/zinc/13/84/76/378138476.db2.gz QHDRPSHVKGESTL-HZPDHXFCSA-N 0 3 286.375 2.569 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCC(CC(N)=O)CC1 ZINC000135129949 378088315 /nfs/dbraw/zinc/08/83/15/378088315.db2.gz YCTROKZVEHGQCG-UHFFFAOYSA-N 0 3 299.418 2.575 20 30 CFEDHN COc1ccc(CN2C[C@@H]3CCC[C@@H]3C2)cc1C#N ZINC000135143563 378089384 /nfs/dbraw/zinc/08/93/84/378089384.db2.gz LNKVGXWAMUTEJM-OKILXGFUSA-N 0 3 256.349 2.799 20 30 CFEDHN COc1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1C#N ZINC000135165660 378094324 /nfs/dbraw/zinc/09/43/24/378094324.db2.gz GXOWNVPRPAKONG-PBHICJAKSA-N 0 3 286.375 2.568 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCOC1 ZINC000135204757 378097841 /nfs/dbraw/zinc/09/78/41/378097841.db2.gz ZDMLFXPJYBYBDO-CQSZACIVSA-N 0 3 258.365 2.708 20 30 CFEDHN C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@@H](C)N1C ZINC000135265237 378106701 /nfs/dbraw/zinc/10/67/01/378106701.db2.gz ZMFGHFKDFPKKLU-GHMZBOCLSA-N 0 3 263.772 2.740 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)o1 ZINC000136461842 378200309 /nfs/dbraw/zinc/20/03/09/378200309.db2.gz QDKWYYXZNOGTAP-BBWFWOEESA-N 0 3 264.328 2.827 20 30 CFEDHN CC[C@@H]1CCCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000150741358 378270181 /nfs/dbraw/zinc/27/01/81/378270181.db2.gz WAOSOPCCNSAHHG-OAHLLOKOSA-N 0 3 291.439 2.984 20 30 CFEDHN CC1CCN(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000329628460 378472122 /nfs/dbraw/zinc/47/21/22/378472122.db2.gz VVRJTUURWAZZPX-UHFFFAOYSA-N 0 3 299.378 2.792 20 30 CFEDHN O=C(N[C@H]1CCCCNC1=O)[C@@H]1CCCN1C1CCCC1 ZINC000329355262 378456030 /nfs/dbraw/zinc/45/60/30/378456030.db2.gz VSXZJPPYVLSKQA-KBPBESRZSA-N 0 3 293.411 2.859 20 30 CFEDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC000329611264 378469899 /nfs/dbraw/zinc/46/98/99/378469899.db2.gz CFGBDHONUCNYCN-PWSUYJOCSA-N 0 3 277.368 2.585 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000329857020 378506236 /nfs/dbraw/zinc/50/62/36/378506236.db2.gz YSYLAVCYXOVYBT-SWLSCSKDSA-N 0 3 281.400 2.572 20 30 CFEDHN CC(C)n1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cn1 ZINC000329901861 378511788 /nfs/dbraw/zinc/51/17/88/378511788.db2.gz OYBLGXHAUNMMOD-AWEZNQCLSA-N 0 3 290.411 2.786 20 30 CFEDHN Cc1nccn1CCC[NH+]=C([O-])N1CCC[C@H](C)[C@H]1C ZINC000330389882 378543026 /nfs/dbraw/zinc/54/30/26/378543026.db2.gz FOPNDEPJBIWRSF-QWHCGFSZSA-N 0 3 278.400 2.616 20 30 CFEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330445419 378558263 /nfs/dbraw/zinc/55/82/63/378558263.db2.gz UFWLNHLBJOSBGS-FMKPAKJESA-N 0 3 279.428 2.551 20 30 CFEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330445421 378558326 /nfs/dbraw/zinc/55/83/26/378558326.db2.gz UFWLNHLBJOSBGS-IIAWOOMASA-N 0 3 279.428 2.551 20 30 CFEDHN CCOC(=O)N[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000154026866 378532160 /nfs/dbraw/zinc/53/21/60/378532160.db2.gz AGRVXAZWCWSMTP-CYBMUJFWSA-N 0 3 281.400 2.527 20 30 CFEDHN C#CCN(Cc1cnc2c(c1)c(C)nn2C)C1CCCC1 ZINC000155877527 378633422 /nfs/dbraw/zinc/63/34/22/378633422.db2.gz IJHPSYXAIDXVIC-UHFFFAOYSA-N 0 3 282.391 2.655 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N1CC(=O)NC(=O)Nc1ccccc1 ZINC000330656332 378594489 /nfs/dbraw/zinc/59/44/89/378594489.db2.gz NKSBPXLKFAXLEM-GXTWGEPZSA-N 0 3 289.379 2.611 20 30 CFEDHN CC[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330948934 378603721 /nfs/dbraw/zinc/60/37/21/378603721.db2.gz NECDAKYTZXPOBR-SWLSCSKDSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)c1ccc(C#N)cc1F ZINC000331148709 378640564 /nfs/dbraw/zinc/64/05/64/378640564.db2.gz AADZETRCIHZODO-NORZTCDRSA-N 0 3 276.355 2.899 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(c2ccc(O)cc2)CC1 ZINC000157934555 378660705 /nfs/dbraw/zinc/66/07/05/378660705.db2.gz SCENHKIYZLSYAI-UHFFFAOYSA-N 0 3 287.407 2.844 20 30 CFEDHN CC(C)OCCNC1CC(C#N)(c2ccccc2)C1 ZINC000157988316 378662897 /nfs/dbraw/zinc/66/28/97/378662897.db2.gz BAPQNQFFXJHQMV-UHFFFAOYSA-N 0 3 258.365 2.625 20 30 CFEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000157070927 378649756 /nfs/dbraw/zinc/64/97/56/378649756.db2.gz UYLXRLLQPYJASP-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN CC(C)N(CC#Cc1cccc(Cl)c1)C[C@H](C)O ZINC000160072000 378747001 /nfs/dbraw/zinc/74/70/01/378747001.db2.gz XKBOXODWRRNOPV-ZDUSSCGKSA-N 0 3 265.784 2.783 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159721526 378726186 /nfs/dbraw/zinc/72/61/86/378726186.db2.gz STKMDRCNVKTFOE-HOCLYGCPSA-N 0 3 277.795 2.784 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN(C3CCCCC3)CC2)n1 ZINC000161903245 378881102 /nfs/dbraw/zinc/88/11/02/378881102.db2.gz CSIVZDAKZJNGLR-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1cc2n(n1)CCC2 ZINC000333935220 378879017 /nfs/dbraw/zinc/87/90/17/378879017.db2.gz JGXJPGPAFCRXPP-AVGNSLFASA-N 0 3 258.369 2.562 20 30 CFEDHN C[C@H](NCC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC000162817687 378936645 /nfs/dbraw/zinc/93/66/45/378936645.db2.gz DFKSHKZVNILKPT-GXTWGEPZSA-N 0 3 263.768 2.706 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCCC34CCC4)n2c1 ZINC000334301003 379059143 /nfs/dbraw/zinc/05/91/43/379059143.db2.gz WFLVZYNOOONYKQ-UHFFFAOYSA-N 0 3 266.348 2.724 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OC)c(Br)c1 ZINC000166346110 379051594 /nfs/dbraw/zinc/05/15/94/379051594.db2.gz VCFNNSVLRWDKFD-SECBINFHSA-N 0 3 268.154 2.569 20 30 CFEDHN CCN1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC000278682625 194100885 /nfs/dbraw/zinc/10/08/85/194100885.db2.gz LDSQIPAVSIVSEL-VIFPVBQESA-N 0 3 284.816 2.954 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000278705144 194112752 /nfs/dbraw/zinc/11/27/52/194112752.db2.gz LFJNTPOVKDYMGG-IUODEOHRSA-N 0 3 287.407 2.902 20 30 CFEDHN C[C@@H](N[C@@H]1CCc2c[nH]nc2C1)c1ccc(C#N)cc1F ZINC000334343591 379126650 /nfs/dbraw/zinc/12/66/50/379126650.db2.gz RFJAGPPJUGNWMB-ZWNOBZJWSA-N 0 3 284.338 2.629 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1F ZINC000334345320 379128661 /nfs/dbraw/zinc/12/86/61/379128661.db2.gz OPHXVMUARRYLKF-CVEARBPZSA-N 0 3 274.339 2.841 20 30 CFEDHN N#Cc1csc(CNC2C3CC4CC(C3)CC2C4)n1 ZINC000339467061 220265541 /nfs/dbraw/zinc/26/55/41/220265541.db2.gz IQSFYBLDPVWWOK-UHFFFAOYSA-N 0 3 273.405 2.929 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335366556 379170174 /nfs/dbraw/zinc/17/01/74/379170174.db2.gz CEIUTXPPHOBZGP-DLBZAZTESA-N 0 3 270.376 2.949 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)CCCCCO ZINC000278792924 194158483 /nfs/dbraw/zinc/15/84/83/194158483.db2.gz FCWYITWQOZGZKF-UHFFFAOYSA-N 0 3 265.784 2.786 20 30 CFEDHN N#CCCCNC1(c2ccc(F)cc2)CCOCC1 ZINC000170971801 379202464 /nfs/dbraw/zinc/20/24/64/379202464.db2.gz FRQMALGAUWRZKR-UHFFFAOYSA-N 0 3 262.328 2.725 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000334381305 379196140 /nfs/dbraw/zinc/19/61/40/379196140.db2.gz JJFZHLAYVZHJLL-ZBFHGGJFSA-N 0 3 264.413 2.533 20 30 CFEDHN C=C(C)[C@H](NC[C@@H](O)CCOCC)c1ccc(F)c(F)c1 ZINC000278830626 194173697 /nfs/dbraw/zinc/17/36/97/194173697.db2.gz QFTWVDOBPCOKFB-BBRMVZONSA-N 0 3 299.361 2.959 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccco1 ZINC000278830027 194174070 /nfs/dbraw/zinc/17/40/70/194174070.db2.gz CLMDJCKIUBGZPC-ZIAGYGMSSA-N 0 3 286.379 2.791 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000334402080 379236058 /nfs/dbraw/zinc/23/60/58/379236058.db2.gz ZKFTZMQYZQDYAL-BBRMVZONSA-N 0 3 258.365 2.866 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C)c(F)c2)CC1 ZINC000171722919 379384629 /nfs/dbraw/zinc/38/46/29/379384629.db2.gz FIIJPTARRGKUAG-UHFFFAOYSA-N 0 3 276.355 2.514 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000171722359 379385169 /nfs/dbraw/zinc/38/51/69/379385169.db2.gz XVPNTFJSBWJCDG-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1 ZINC000171720252 379385674 /nfs/dbraw/zinc/38/56/74/379385674.db2.gz DYTLGGTZUHGHHC-UHFFFAOYSA-N 0 3 298.430 2.875 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000171725963 379387791 /nfs/dbraw/zinc/38/77/91/379387791.db2.gz PJICFSWHIMUZQU-VMPITWQZSA-N 0 3 288.366 2.606 20 30 CFEDHN C=CCN(CCC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000278954424 194228444 /nfs/dbraw/zinc/22/84/44/194228444.db2.gz ZHAKKOREQONPFX-UHFFFAOYSA-N 0 3 287.359 2.681 20 30 CFEDHN C[C@@H]1CCN(CCC2(C#N)CCCCC2)C[C@H]1O ZINC000334560699 379529918 /nfs/dbraw/zinc/52/99/18/379529918.db2.gz FNHKEPWSTJRVMT-ZIAGYGMSSA-N 0 3 250.386 2.553 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000335556376 379506059 /nfs/dbraw/zinc/50/60/59/379506059.db2.gz CXJKJOWIRMOEAM-WBMJQRKESA-N 0 3 274.339 2.909 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000335668973 379691474 /nfs/dbraw/zinc/69/14/74/379691474.db2.gz IKIASMCTJNQFNT-XPTSAGLGSA-N 0 3 282.265 2.522 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000173579101 379754560 /nfs/dbraw/zinc/75/45/60/379754560.db2.gz NXEXSVCPBQHXCI-CYBMUJFWSA-N 0 3 290.382 2.696 20 30 CFEDHN N#CCSCCCN1CCC[C@H](C(F)(F)F)C1 ZINC000173857179 379789046 /nfs/dbraw/zinc/78/90/46/379789046.db2.gz QZZGRDJZLFDJPX-JTQLQIEISA-N 0 3 266.332 2.908 20 30 CFEDHN C[C@H]1CC[C@H](N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000335715749 379773130 /nfs/dbraw/zinc/77/31/30/379773130.db2.gz SBKPJUTTXNEBNQ-JSGCOSHPSA-N 0 3 268.364 2.826 20 30 CFEDHN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1ccc(F)cc1 ZINC000174282375 379858202 /nfs/dbraw/zinc/85/82/02/379858202.db2.gz UUOPPRJNRSUXAK-INIZCTEOSA-N 0 3 287.338 2.683 20 30 CFEDHN CN(CCCNCc1ccc(C#N)o1)c1ccccc1F ZINC000174295454 379858802 /nfs/dbraw/zinc/85/88/02/379858802.db2.gz OXUACUBRRCJYQD-UHFFFAOYSA-N 0 3 287.338 2.906 20 30 CFEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)o1 ZINC000174302611 379862111 /nfs/dbraw/zinc/86/21/11/379862111.db2.gz UQJLSLCFPYPFNB-HZSPNIEDSA-N 0 3 275.396 2.607 20 30 CFEDHN Cc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)ccc1C#N ZINC000335749598 379827965 /nfs/dbraw/zinc/82/79/65/379827965.db2.gz KEFAYMHTPFBCFJ-INIZCTEOSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000174561625 379908900 /nfs/dbraw/zinc/90/89/00/379908900.db2.gz OQNGCSANCOZRTD-UHFFFAOYSA-N 0 3 256.305 2.628 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccc(C#N)o2)C12CCCC2 ZINC000174654373 379924180 /nfs/dbraw/zinc/92/41/80/379924180.db2.gz OGNFVUZWJQTLIB-GJZGRUSLSA-N 0 3 274.364 2.979 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCN2Cc2ccccc2)o1 ZINC000174396978 379876518 /nfs/dbraw/zinc/87/65/18/379876518.db2.gz JZUDHFWENPDTHO-MRXNPFEDSA-N 0 3 295.386 2.905 20 30 CFEDHN CS[C@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000174406583 379879622 /nfs/dbraw/zinc/87/96/22/379879622.db2.gz JERPCFSBGQXUJQ-GWCFXTLKSA-N 0 3 250.367 2.915 20 30 CFEDHN COc1ccc(CN[C@@H](C)Cc2c(C)noc2C)cc1C#N ZINC000174416728 379881630 /nfs/dbraw/zinc/88/16/30/379881630.db2.gz MWCOPVJTVPMZAD-NSHDSACASA-N 0 3 299.374 2.893 20 30 CFEDHN CC1CCN(CCn2nc(C#N)c3ccccc32)CC1 ZINC000335868437 380022530 /nfs/dbraw/zinc/02/25/30/380022530.db2.gz HNCHLOWSGYJCKG-UHFFFAOYSA-N 0 3 268.364 2.640 20 30 CFEDHN CC1(C)COC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000335221874 380030925 /nfs/dbraw/zinc/03/09/25/380030925.db2.gz JOOYJZUYCXQYIM-LSDHHAIUSA-N 0 3 256.349 2.560 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264465119 383742749 /nfs/dbraw/zinc/74/27/49/383742749.db2.gz LQTCWXRDEOSGGQ-UHFFFAOYSA-N 0 3 290.367 2.751 20 30 CFEDHN C=CCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175370801 380052039 /nfs/dbraw/zinc/05/20/39/380052039.db2.gz CKGVCAUNEFCYPY-SJKOYZFVSA-N 0 3 251.395 2.993 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000335899487 380074529 /nfs/dbraw/zinc/07/45/29/380074529.db2.gz OROAGHYAWOPHCC-HOTGVXAUSA-N 0 3 264.413 2.533 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1CC#Cc1ccccc1Cl ZINC000335941479 380133729 /nfs/dbraw/zinc/13/37/29/380133729.db2.gz XDTZGTYRCNSUHR-UONOGXRCSA-N 0 3 276.811 2.716 20 30 CFEDHN COc1cc(C)c(CN(C)CCCC#N)cc1OC ZINC000176052653 380173056 /nfs/dbraw/zinc/17/30/56/380173056.db2.gz RXTQJNMUZRPAEM-UHFFFAOYSA-N 0 3 262.353 2.748 20 30 CFEDHN N#CCCCN1CCC2(CC1)OCCc1ccsc12 ZINC000336389578 380337097 /nfs/dbraw/zinc/33/70/97/380337097.db2.gz XAISNIOAWRTLQO-UHFFFAOYSA-N 0 3 276.405 2.916 20 30 CFEDHN CC(C)(C)NC(=O)C(C#N)c1nccc2ccccc21 ZINC000336347440 380327155 /nfs/dbraw/zinc/32/71/55/380327155.db2.gz GFBSQNJAOUSGHF-ZDUSSCGKSA-N 0 3 267.332 2.757 20 30 CFEDHN C[C@@H](O)CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000279069750 194271024 /nfs/dbraw/zinc/27/10/24/194271024.db2.gz LMXRCTKGLHWEOW-GHMZBOCLSA-N 0 3 250.317 2.509 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000178091352 380408769 /nfs/dbraw/zinc/40/87/69/380408769.db2.gz ULHJRAHTQGDWBW-KRWDZBQOSA-N 0 3 270.376 2.850 20 30 CFEDHN CC#CCN1CCC(Cc2cccc(OC)c2)CC1 ZINC000680078349 542277070 /nfs/dbraw/zinc/27/70/70/542277070.db2.gz IILMYLVAJZYURL-UHFFFAOYSA-N 0 3 257.377 2.973 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000336528463 380418926 /nfs/dbraw/zinc/41/89/26/380418926.db2.gz HKBPYXVUALZTBF-ZBFHGGJFSA-N 0 3 274.339 2.698 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179166888 380516651 /nfs/dbraw/zinc/51/66/51/380516651.db2.gz FIRQIZHBWHMNCZ-VNQPRFMTSA-N 0 3 287.407 2.696 20 30 CFEDHN C=CCC[C@@H](NCCCC(=O)N(C)C)c1ccco1 ZINC000279114052 194290207 /nfs/dbraw/zinc/29/02/07/194290207.db2.gz WOHDHSHIGSNRSX-CYBMUJFWSA-N 0 3 264.369 2.745 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)s1 ZINC000336613091 380549105 /nfs/dbraw/zinc/54/91/05/380549105.db2.gz YDUPGNLJUWIABU-OLZOCXBDSA-N 0 3 276.405 2.868 20 30 CFEDHN Cc1cccc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000179585093 380561298 /nfs/dbraw/zinc/56/12/98/380561298.db2.gz QGKBDAIXUAEMST-SFHVURJKSA-N 0 3 299.418 2.628 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1cccn1C ZINC000336624177 380568096 /nfs/dbraw/zinc/56/80/96/380568096.db2.gz UYMXZMHLYIIGKV-JSGCOSHPSA-N 0 3 259.353 2.628 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 ZINC000180509693 380669668 /nfs/dbraw/zinc/66/96/68/380669668.db2.gz IZOLMWARVWQDGG-CYBMUJFWSA-N 0 3 296.374 2.629 20 30 CFEDHN C[C@@H](NCCCC#N)c1cccc(-n2ccnc2)c1 ZINC000180660581 380688302 /nfs/dbraw/zinc/68/83/02/380688302.db2.gz CMDUGQKTYUWSRS-CYBMUJFWSA-N 0 3 254.337 2.827 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000180907521 380711951 /nfs/dbraw/zinc/71/19/51/380711951.db2.gz SYAMVCMHSUEXNE-STQMWFEESA-N 0 3 267.417 2.513 20 30 CFEDHN CC(C)OCCCN(C)CCOc1ccccc1C#N ZINC000264508001 383749432 /nfs/dbraw/zinc/74/94/32/383749432.db2.gz DVSILWSVXNCQPC-UHFFFAOYSA-N 0 3 276.380 2.684 20 30 CFEDHN CCn1cc([C@H](C)NCCOc2ccc(C#N)cc2)cn1 ZINC000181157588 380749524 /nfs/dbraw/zinc/74/95/24/380749524.db2.gz BLIYSPYQKLVONH-ZDUSSCGKSA-N 0 3 284.363 2.504 20 30 CFEDHN C[C@H](NCCCC#N)c1cccc(N2CCOC2=O)c1 ZINC000181333070 380777569 /nfs/dbraw/zinc/77/75/69/380777569.db2.gz XMCJVKUJVOYSGL-LBPRGKRZSA-N 0 3 273.336 2.598 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)CC1CCN(C)CC1 ZINC000181423194 380791450 /nfs/dbraw/zinc/79/14/50/380791450.db2.gz DPIQIXYLRVNGAF-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2ncccc2C)CC1 ZINC000279192568 194326578 /nfs/dbraw/zinc/32/65/78/194326578.db2.gz FAQKVCOOBFEQRY-OAHLLOKOSA-N 0 3 290.407 2.560 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2ncccc2C)CC1 ZINC000279192567 194326752 /nfs/dbraw/zinc/32/67/52/194326752.db2.gz FAQKVCOOBFEQRY-HNNXBMFYSA-N 0 3 290.407 2.560 20 30 CFEDHN COC[C@@H](NCCOc1ccccc1C#N)c1ccccc1 ZINC000181700627 380866860 /nfs/dbraw/zinc/86/68/60/380866860.db2.gz KRJRPAFSMJYGIQ-QGZVFWFLSA-N 0 3 296.370 2.914 20 30 CFEDHN C[C@@H](NC(=O)c1ccc(C#N)o1)[C@@H](c1ccccc1)N(C)C ZINC000347006814 380870011 /nfs/dbraw/zinc/87/00/11/380870011.db2.gz BPMHSKAETPRQCF-WBMJQRKESA-N 0 3 297.358 2.572 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1ccccc1C#N ZINC000347012223 380875626 /nfs/dbraw/zinc/87/56/26/380875626.db2.gz VLHMZSUKWMFRBN-XJKCOSOUSA-N 0 3 258.365 2.540 20 30 CFEDHN CCC[C@H](C)C(=O)NCCNCc1ccc(C#N)c(C)c1 ZINC000353777173 380847069 /nfs/dbraw/zinc/84/70/69/380847069.db2.gz VYXCTNUDMBTAQG-ZDUSSCGKSA-N 0 3 287.407 2.509 20 30 CFEDHN C=C(CC)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000358506207 380892706 /nfs/dbraw/zinc/89/27/06/380892706.db2.gz JDTNVEAUZNAIQG-UHFFFAOYSA-N 0 3 272.392 2.847 20 30 CFEDHN CC(C)(C)OC(=O)CCNCc1ccc(C#N)c(F)c1 ZINC000404055777 380897950 /nfs/dbraw/zinc/89/79/50/380897950.db2.gz BAKFGQJNZOPVFU-UHFFFAOYSA-N 0 3 278.327 2.519 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000181796059 380898537 /nfs/dbraw/zinc/89/85/37/380898537.db2.gz YGTNLHDUHGFTLY-KGLIPLIRSA-N 0 3 274.408 2.633 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc(Cl)ccc1F ZINC000341317690 380930880 /nfs/dbraw/zinc/93/08/80/380930880.db2.gz WXJACDGYAHRFEF-JTQLQIEISA-N 0 3 257.736 2.753 20 30 CFEDHN N#Cc1cccc(OCCN2C[C@H]3CCCC[C@H]32)c1 ZINC000368095111 380921766 /nfs/dbraw/zinc/92/17/66/380921766.db2.gz PMAPJFIHZWPXIV-GDBMZVCRSA-N 0 3 256.349 2.811 20 30 CFEDHN C[C@@H](NC[C@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358556625 380922139 /nfs/dbraw/zinc/92/21/39/380922139.db2.gz MWRUOSSGBPLPFZ-DGCLKSJQSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@H](NC[C@@]1(C)CCCO1)c1ccc(C#N)cc1F ZINC000358555429 380923122 /nfs/dbraw/zinc/92/31/22/380923122.db2.gz KZXKSVXHNWBGRL-XHDPSFHLSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358584329 380949473 /nfs/dbraw/zinc/94/94/73/380949473.db2.gz HROVLFYUENCBTQ-MBNYWOFBSA-N 0 3 292.354 2.542 20 30 CFEDHN C[C@@H](NCCc1ccncc1)c1ccc(C#N)cc1F ZINC000358597713 380959544 /nfs/dbraw/zinc/95/95/44/380959544.db2.gz XCZJWXRJJHYRRL-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358567034 380934218 /nfs/dbraw/zinc/93/42/18/380934218.db2.gz IWYSLGGSIBZIFY-DGCLKSJQSA-N 0 3 273.355 2.585 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000358567015 380934621 /nfs/dbraw/zinc/93/46/21/380934621.db2.gz ISYHPDGKLBLKJG-RWSFTLGLSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H](CCC#N)N1CCCN(Cc2ccccc2)CC1 ZINC000411142959 381009975 /nfs/dbraw/zinc/00/99/75/381009975.db2.gz LOJNIFUUDDSSPV-MRXNPFEDSA-N 0 3 271.408 2.887 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1 ZINC000289326786 381031231 /nfs/dbraw/zinc/03/12/31/381031231.db2.gz GJQQVACRMUMXHD-ZWKOTPCHSA-N 0 3 278.355 2.683 20 30 CFEDHN CC(C)[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000368394174 381010655 /nfs/dbraw/zinc/01/06/55/381010655.db2.gz STZNXCRZGWAABE-QGZVFWFLSA-N 0 3 270.376 2.664 20 30 CFEDHN N#CC1(CCN2CCN(C3CC3)CC2)CCCCC1 ZINC000411202171 381015124 /nfs/dbraw/zinc/01/51/24/381015124.db2.gz TVWTXSIYEUJGKQ-UHFFFAOYSA-N 0 3 261.413 2.631 20 30 CFEDHN CCC(=O)N[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411214643 381018262 /nfs/dbraw/zinc/01/82/62/381018262.db2.gz BCIZLYTWDNUDGV-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN CC(=O)c1ccc2c(c1)CCN([C@@H](C)CCC#N)CC2 ZINC000411408451 381026354 /nfs/dbraw/zinc/02/63/54/381026354.db2.gz PSGBWALRIIVNJG-ZDUSSCGKSA-N 0 3 270.376 2.982 20 30 CFEDHN Cc1ncc(CNCCc2cccc(C#N)c2)s1 ZINC000341459486 381026976 /nfs/dbraw/zinc/02/69/76/381026976.db2.gz MNFBAEXRERBYJG-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN COCCCOCCN(C)CCC1(C#N)CCCCC1 ZINC000411439226 381028657 /nfs/dbraw/zinc/02/86/57/381028657.db2.gz DRXMQNHYSVRNSG-UHFFFAOYSA-N 0 3 282.428 2.835 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000411484553 381030047 /nfs/dbraw/zinc/03/00/47/381030047.db2.gz PAQJWLXMIXWCNE-STQMWFEESA-N 0 3 269.352 2.610 20 30 CFEDHN C=CCCCCCCNC(=O)NCC1=CCN(C)CC1 ZINC000288008808 380991495 /nfs/dbraw/zinc/99/14/95/380991495.db2.gz LWEAELRIROKTBH-UHFFFAOYSA-N 0 3 279.428 2.684 20 30 CFEDHN C=C(C)[C@H](NC(=O)C(C)C#N)c1ccc(F)c(F)c1 ZINC000358654091 380993250 /nfs/dbraw/zinc/99/32/50/380993250.db2.gz IUPFROJNZDLAQT-ZANVPECISA-N 0 3 264.275 2.858 20 30 CFEDHN COCC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC000358753532 381057541 /nfs/dbraw/zinc/05/75/41/381057541.db2.gz RUCUSPWRQIUUSJ-UHFFFAOYSA-N 0 3 258.365 2.807 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)cc2F)CCO[C@@H]1C1CC1 ZINC000341526649 381067487 /nfs/dbraw/zinc/06/74/87/381067487.db2.gz AMSABAVNPNMLSG-SJORKVTESA-N 0 3 288.366 2.992 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000289623333 381072464 /nfs/dbraw/zinc/07/24/64/381072464.db2.gz DSLFTYPLIFWVHB-JSGCOSHPSA-N 0 3 264.325 2.573 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000411540972 381033020 /nfs/dbraw/zinc/03/30/20/381033020.db2.gz GIZPRUAIUFBIMP-BBRMVZONSA-N 0 3 256.349 2.810 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000358787780 381083788 /nfs/dbraw/zinc/08/37/88/381083788.db2.gz ODPNBQZJQNJHHB-GOEBONIOSA-N 0 3 293.455 2.905 20 30 CFEDHN COC1([C@@H](C)NCc2ccc(C#N)cc2F)CCC1 ZINC000412015665 381091142 /nfs/dbraw/zinc/09/11/42/381091142.db2.gz ABAXAIYAERHBKA-LLVKDONJSA-N 0 3 262.328 2.745 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000368658803 381101206 /nfs/dbraw/zinc/10/12/06/381101206.db2.gz KMBONYABSOKZFA-CQSZACIVSA-N 0 3 276.355 2.946 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289685832 381103920 /nfs/dbraw/zinc/10/39/20/381103920.db2.gz HYQPFDCFUPSMDM-JOYOIKCWSA-N 0 3 259.271 2.903 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1(C#N)CCCC1 ZINC000182543097 381109793 /nfs/dbraw/zinc/10/97/93/381109793.db2.gz GSFCNKIDQATABU-HNNXBMFYSA-N 0 3 299.418 2.707 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000289756589 381138024 /nfs/dbraw/zinc/13/80/24/381138024.db2.gz LKAPTHGIZWGEAS-GXFFZTMASA-N 0 3 289.404 2.711 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000289756593 381138290 /nfs/dbraw/zinc/13/82/90/381138290.db2.gz LKAPTHGIZWGEAS-ZWNOBZJWSA-N 0 3 289.404 2.711 20 30 CFEDHN CCCCNC(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000341634260 381140059 /nfs/dbraw/zinc/14/00/59/381140059.db2.gz JIAYWKYRIUCKFJ-ZDUSSCGKSA-N 0 3 273.380 2.515 20 30 CFEDHN C#CCN(CCCn1ccnc1)[C@@H]1CCc2ccccc21 ZINC000182699499 381141421 /nfs/dbraw/zinc/14/14/21/381141421.db2.gz CBHIQIBLJULIKL-GOSISDBHSA-N 0 3 279.387 2.896 20 30 CFEDHN C(#Cc1ccccc1)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000295908185 381150209 /nfs/dbraw/zinc/15/02/09/381150209.db2.gz HHOZEACNFWOCPU-GVDBMIGSSA-N 0 3 267.372 2.585 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SC)c(OC)c1 ZINC000289778634 381152386 /nfs/dbraw/zinc/15/23/86/381152386.db2.gz MOFOIDDTLPFHGU-ZYHUDNBSSA-N 0 3 267.394 2.615 20 30 CFEDHN CC[C@@H](C)N(CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000347455660 381163374 /nfs/dbraw/zinc/16/33/74/381163374.db2.gz NSZDJLFQAROBPF-LLVKDONJSA-N 0 3 298.333 2.752 20 30 CFEDHN CCCCN(C)CCNc1cc(C(C)=O)ccc1C#N ZINC000347402163 381126640 /nfs/dbraw/zinc/12/66/40/381126640.db2.gz FCGHKLNSEIAOSP-UHFFFAOYSA-N 0 3 273.380 2.905 20 30 CFEDHN CC#CCCNCc1ccc(OC)c(OCCC)c1 ZINC000354193452 381133884 /nfs/dbraw/zinc/13/38/84/381133884.db2.gz ZMVXNHRXYJJMBQ-UHFFFAOYSA-N 0 3 261.365 2.987 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SC)c(F)c1 ZINC000289804885 381166930 /nfs/dbraw/zinc/16/69/30/381166930.db2.gz OESCFGMCZMSJAS-KOLCDFICSA-N 0 3 255.358 2.745 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC)c(OCCC(C)C)c1 ZINC000289805011 381167072 /nfs/dbraw/zinc/16/70/72/381167072.db2.gz LDYLQUWUOJSLOC-OAHLLOKOSA-N 0 3 293.407 2.757 20 30 CFEDHN CC(C)C(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000289827731 381178712 /nfs/dbraw/zinc/17/87/12/381178712.db2.gz ALONMYWUFGZMBT-UHFFFAOYSA-N 0 3 299.418 2.686 20 30 CFEDHN COc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1C#N ZINC000369116614 381196075 /nfs/dbraw/zinc/19/60/75/381196075.db2.gz MTXOBFYWRZYYTR-UHFFFAOYSA-N 0 3 296.374 2.670 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(C#N)c2F)[C@@H]2CCCO[C@@H]21 ZINC000358992850 381202356 /nfs/dbraw/zinc/20/23/56/381202356.db2.gz AAKFTCQTLONFLW-IMJJTQAJSA-N 0 3 288.366 2.991 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)CCN(C2CC2)C1 ZINC000295996302 381202680 /nfs/dbraw/zinc/20/26/80/381202680.db2.gz KRDIOASBTNFHIO-GFCCVEGCSA-N 0 3 275.421 2.536 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)CO ZINC000354421062 381254688 /nfs/dbraw/zinc/25/46/88/381254688.db2.gz HIZKSKOUTXSHNC-SNVBAGLBSA-N 0 3 286.297 2.780 20 30 CFEDHN CCN(Cc1cccc(OCCCC#N)c1)[C@@H](C)CO ZINC000354437784 381265733 /nfs/dbraw/zinc/26/57/33/381265733.db2.gz SHYQRVSJPWRPEW-AWEZNQCLSA-N 0 3 276.380 2.572 20 30 CFEDHN N#Cc1cccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000290020561 381265826 /nfs/dbraw/zinc/26/58/26/381265826.db2.gz ZLBUXRGIAIGFHY-MOPGFXCFSA-N 0 3 292.382 2.814 20 30 CFEDHN CCn1cc([C@@H](C)NCCOc2cccc(C#N)c2)cn1 ZINC000296129107 381268823 /nfs/dbraw/zinc/26/88/23/381268823.db2.gz RKBOBNFRXZYYHF-CYBMUJFWSA-N 0 3 284.363 2.504 20 30 CFEDHN CCn1cc([C@H](C)NCCOc2cccc(C#N)c2)cn1 ZINC000296131017 381269071 /nfs/dbraw/zinc/26/90/71/381269071.db2.gz RKBOBNFRXZYYHF-ZDUSSCGKSA-N 0 3 284.363 2.504 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000342277591 381242677 /nfs/dbraw/zinc/24/26/77/381242677.db2.gz BBRNSVNRSOZQTF-ZIAGYGMSSA-N 0 3 266.429 2.777 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000354402451 381245503 /nfs/dbraw/zinc/24/55/03/381245503.db2.gz NIYURRPLNKINFH-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(C)(CCC#N)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000342287506 381248952 /nfs/dbraw/zinc/24/89/52/381248952.db2.gz AMFUFFASPOPBMB-UHFFFAOYSA-N 0 3 250.317 2.951 20 30 CFEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccco1 ZINC000183286111 381250543 /nfs/dbraw/zinc/25/05/43/381250543.db2.gz WEANHTCHIXGTJB-LBPRGKRZSA-N 0 3 256.305 2.881 20 30 CFEDHN CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000296306845 381340851 /nfs/dbraw/zinc/34/08/51/381340851.db2.gz GDHJBMOFJDQWJW-BBRMVZONSA-N 0 3 287.407 2.712 20 30 CFEDHN CC[C@@H]1CN(CCCC#N)CCN1Cc1ccccc1 ZINC000183745123 381313471 /nfs/dbraw/zinc/31/34/71/381313471.db2.gz QAHGHIHHZLVVPT-QGZVFWFLSA-N 0 3 271.408 2.887 20 30 CFEDHN COc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccc1C#N ZINC000369707492 381317155 /nfs/dbraw/zinc/31/71/55/381317155.db2.gz SZJFYNWJXLOKTK-OAHLLOKOSA-N 0 3 296.374 2.670 20 30 CFEDHN C#C[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000290225101 381350382 /nfs/dbraw/zinc/35/03/82/381350382.db2.gz SCNOZHGMORAXGF-AWEZNQCLSA-N 0 3 276.336 2.741 20 30 CFEDHN C=CCN1CCC(NC(=O)CCc2ccc(C)s2)CC1 ZINC000290277960 381368008 /nfs/dbraw/zinc/36/80/08/381368008.db2.gz QHYJNPGYGHHUSK-UHFFFAOYSA-N 0 3 292.448 2.756 20 30 CFEDHN C=CCCCC[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000290282713 381370595 /nfs/dbraw/zinc/37/05/95/381370595.db2.gz MGRLPXJMDABTAI-AWEZNQCLSA-N 0 3 256.353 2.840 20 30 CFEDHN C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000296417401 381384834 /nfs/dbraw/zinc/38/48/34/381384834.db2.gz RKRYPEHETZJRIV-ZDUSSCGKSA-N 0 3 298.390 2.506 20 30 CFEDHN CCc1ccc([C@@H](COC)NCCCCC#N)o1 ZINC000184803546 381479585 /nfs/dbraw/zinc/47/95/85/381479585.db2.gz WWSKOGFRNKXQLJ-CYBMUJFWSA-N 0 3 250.342 2.813 20 30 CFEDHN C=CCOCCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000348044967 381456883 /nfs/dbraw/zinc/45/68/83/381456883.db2.gz CDUKEFAJWVQGIY-ZIAGYGMSSA-N 0 3 255.427 2.939 20 30 CFEDHN C=CCOCCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000348057121 381458430 /nfs/dbraw/zinc/45/84/30/381458430.db2.gz SFXHAJDMYOEDCP-GFCCVEGCSA-N 0 3 264.325 2.838 20 30 CFEDHN C=CCOCCCN[C@@](C)(CC)c1nccs1 ZINC000348054353 381459045 /nfs/dbraw/zinc/45/90/45/381459045.db2.gz XZKKPDOCJSIZRG-ZDUSSCGKSA-N 0 3 254.399 2.951 20 30 CFEDHN C=CCOCCCN1CCc2c(cccc2OC)C1 ZINC000348061908 381460653 /nfs/dbraw/zinc/46/06/53/381460653.db2.gz ZOJGTNWEAKZSLF-UHFFFAOYSA-N 0 3 261.365 2.646 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H](N3CCCCC3)C2)CCC1 ZINC000359552249 381463908 /nfs/dbraw/zinc/46/39/08/381463908.db2.gz NGJFFZHLCULEHR-HNNXBMFYSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCCC2(CCC2)C1 ZINC000348172521 381467534 /nfs/dbraw/zinc/46/75/34/381467534.db2.gz XVVXQJORMLDZLC-HNNXBMFYSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000342729654 381503516 /nfs/dbraw/zinc/50/35/16/381503516.db2.gz XPYXGYAJSYLTEQ-UHFFFAOYSA-N 0 3 250.298 2.611 20 30 CFEDHN C=CCCN(C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000342727308 381504856 /nfs/dbraw/zinc/50/48/56/381504856.db2.gz BVQBDZYQKYETAU-UHFFFAOYSA-N 0 3 286.419 2.994 20 30 CFEDHN C=CCCN(C)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000342730248 381505240 /nfs/dbraw/zinc/50/52/40/381505240.db2.gz IZISNWRAHSLQKP-OAHLLOKOSA-N 0 3 276.380 2.920 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000342735738 381509345 /nfs/dbraw/zinc/50/93/45/381509345.db2.gz JBUCWVNOKYAQCL-AWEZNQCLSA-N 0 3 260.381 2.541 20 30 CFEDHN C=CCCN(C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000342740287 381510996 /nfs/dbraw/zinc/51/09/96/381510996.db2.gz RWWZZBDWORCYHI-HNNXBMFYSA-N 0 3 276.355 2.829 20 30 CFEDHN CC#CCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000185031666 381518393 /nfs/dbraw/zinc/51/83/93/381518393.db2.gz YBQOPLHIMMOSRY-UHFFFAOYSA-N 0 3 298.430 2.915 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCCN1CCCC[C@@H]1C ZINC000342701927 381487489 /nfs/dbraw/zinc/48/74/89/381487489.db2.gz HBJHIUCSEGBQHQ-CABCVRRESA-N 0 3 281.444 2.905 20 30 CFEDHN CN1CCC(N(Cc2ccco2)Cc2ccc(C#N)o2)CC1 ZINC000290602967 381496175 /nfs/dbraw/zinc/49/61/75/381496175.db2.gz VZRHSYPHLASNJY-UHFFFAOYSA-N 0 3 299.374 2.841 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000342720272 381498100 /nfs/dbraw/zinc/49/81/00/381498100.db2.gz KPHXQLBPEDMDAH-LXTVHRRPSA-N 0 3 266.429 2.824 20 30 CFEDHN CCCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348371863 381537659 /nfs/dbraw/zinc/53/76/59/381537659.db2.gz YFBGRKPLRKBKLV-INIZCTEOSA-N 0 3 295.386 2.937 20 30 CFEDHN CCc1cnccc1[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000359676334 381549545 /nfs/dbraw/zinc/54/95/45/381549545.db2.gz KWMUSRFVDLYUIK-LBPRGKRZSA-N 0 3 268.364 2.705 20 30 CFEDHN CC#CCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000185053494 381524533 /nfs/dbraw/zinc/52/45/33/381524533.db2.gz AOGHWRPFHGOASK-GOSISDBHSA-N 0 3 298.430 2.961 20 30 CFEDHN Cn1cc(CN[C@@H](c2ccccc2)C(C)(C)CO)cc1C#N ZINC000348359290 381530123 /nfs/dbraw/zinc/53/01/23/381530123.db2.gz NPFVOMLUNKIDKQ-KRWDZBQOSA-N 0 3 297.402 2.746 20 30 CFEDHN CC(C)(C#N)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000359649753 381533061 /nfs/dbraw/zinc/53/30/61/381533061.db2.gz MWJKRRUQVDFUDS-UHFFFAOYSA-N 0 3 285.391 2.562 20 30 CFEDHN CC(C)CN1CCC[C@@H]1CNc1nccc(C#N)c1Cl ZINC000342778820 381534900 /nfs/dbraw/zinc/53/49/00/381534900.db2.gz KLLQJPMGRYGWDC-CYBMUJFWSA-N 0 3 292.814 2.561 20 30 CFEDHN CCN1CCCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413135754 381535035 /nfs/dbraw/zinc/53/50/35/381535035.db2.gz NAMLRTDJMYPRQX-UHFFFAOYSA-N 0 3 298.312 2.504 20 30 CFEDHN C[C@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1CCCO1 ZINC000342810091 381558899 /nfs/dbraw/zinc/55/88/99/381558899.db2.gz OLCSXSVPDQNTKQ-WFASDCNBSA-N 0 3 256.349 2.704 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1ccn(C)n1)C(C)C ZINC000414074100 381559899 /nfs/dbraw/zinc/55/98/99/381559899.db2.gz WRKFUUIYPQWHTK-NVXWUHKLSA-N 0 3 290.455 2.769 20 30 CFEDHN C=CCC[C@@H](NCCc1cn(C)cn1)c1ccco1 ZINC000414127877 381562509 /nfs/dbraw/zinc/56/25/09/381562509.db2.gz QPWANWYCPSVWNH-CQSZACIVSA-N 0 3 259.353 2.853 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)C(C)(C)C)cc1OC ZINC000185218009 381567992 /nfs/dbraw/zinc/56/79/92/381567992.db2.gz CCCKOSCFQNHYOF-MRXNPFEDSA-N 0 3 293.407 2.757 20 30 CFEDHN CN(C[C@@H](O)CSc1ccc(C#N)cc1Cl)C1CC1 ZINC000290842563 381570826 /nfs/dbraw/zinc/57/08/26/381570826.db2.gz WGUYCFVVAUXRIU-GFCCVEGCSA-N 0 3 296.823 2.759 20 30 CFEDHN C=CCCC[C@@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000414430223 381584870 /nfs/dbraw/zinc/58/48/70/381584870.db2.gz MCGIOYUZJOLDGN-LLVKDONJSA-N 0 3 287.450 2.986 20 30 CFEDHN CN(C)Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC000414497991 381591601 /nfs/dbraw/zinc/59/16/01/381591601.db2.gz LWMDTPJXDCICGU-YPMHNXCESA-N 0 3 261.344 2.991 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC2(CC2)CC1 ZINC000371333965 381592292 /nfs/dbraw/zinc/59/22/92/381592292.db2.gz FOVLUDWUGPMUGW-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@H](CO)[C@H]2C)c1 ZINC000414579945 381594701 /nfs/dbraw/zinc/59/47/01/381594701.db2.gz QHEZHDPWSIJRQE-GDBMZVCRSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC000348536514 381617361 /nfs/dbraw/zinc/61/73/61/381617361.db2.gz SCSPKASWWDPOFH-LBPRGKRZSA-N 0 3 278.421 2.618 20 30 CFEDHN C#CCOc1ccc(CN2CCC23CCC(CO)CC3)cc1 ZINC000371478052 381638393 /nfs/dbraw/zinc/63/83/93/381638393.db2.gz SHWFOXYNASLSMN-UHFFFAOYSA-N 0 3 299.414 2.826 20 30 CFEDHN CN(CCN1CCCC1)Cc1ccc(Cl)cc1C#N ZINC000359861260 381647665 /nfs/dbraw/zinc/64/76/65/381647665.db2.gz YVJIOAUKWANSHB-UHFFFAOYSA-N 0 3 277.799 2.739 20 30 CFEDHN C[C@H](CN1CCCCCC1)Nc1nccc(C#N)c1Cl ZINC000343007187 381648536 /nfs/dbraw/zinc/64/85/36/381648536.db2.gz FXWZUZLHSRGVMO-GFCCVEGCSA-N 0 3 292.814 2.705 20 30 CFEDHN C[C@@H]1CCCC[C@H]1N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000298475192 381641933 /nfs/dbraw/zinc/64/19/33/381641933.db2.gz RUIJEVGMEHUJRX-RHSMWYFYSA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@@H](C#N)CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000185573717 381669361 /nfs/dbraw/zinc/66/93/61/381669361.db2.gz RHSLOHUFKNUEJI-RYUDHWBXSA-N 0 3 261.325 2.665 20 30 CFEDHN Cc1c(Cl)cnc(N2CC[C@H](N3CCCC3)C2)c1C#N ZINC000371690727 381681459 /nfs/dbraw/zinc/68/14/59/381681459.db2.gz ZCYHWFBBFBUARB-LBPRGKRZSA-N 0 3 290.798 2.590 20 30 CFEDHN Cc1ccccc1NC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1 ZINC000359926119 381683121 /nfs/dbraw/zinc/68/31/21/381683121.db2.gz UMWOXLPSOBMING-GFCCVEGCSA-N 0 3 296.286 2.544 20 30 CFEDHN CCCN(C)CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348750157 381695009 /nfs/dbraw/zinc/69/50/09/381695009.db2.gz NZOQIGXHBMJDGO-UHFFFAOYSA-N 0 3 297.402 2.516 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC000359947374 381695239 /nfs/dbraw/zinc/69/52/39/381695239.db2.gz BCWZSLSICLQPKL-ZDUSSCGKSA-N 0 3 266.429 2.825 20 30 CFEDHN C#CCCCCNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000359963165 381700886 /nfs/dbraw/zinc/70/08/86/381700886.db2.gz YAEROLHFZIPLFD-UHFFFAOYSA-N 0 3 291.464 2.803 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(C#N)ccn2)c1 ZINC000355290238 381730081 /nfs/dbraw/zinc/73/00/81/381730081.db2.gz WPUDGMRAAHSQLU-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN CC#CCCCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000372003026 381732604 /nfs/dbraw/zinc/73/26/04/381732604.db2.gz LVNSGJBAOUFLJZ-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000372003025 381732858 /nfs/dbraw/zinc/73/28/58/381732858.db2.gz LVNSGJBAOUFLJZ-GOSISDBHSA-N 0 3 298.430 2.913 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2COc3ccccc3C2)C1 ZINC000185818705 381743471 /nfs/dbraw/zinc/74/34/71/381743471.db2.gz OHBVXQZFOGQOPS-CFVMTHIKSA-N 0 3 256.349 2.662 20 30 CFEDHN C=CCOc1cccc(CN[C@H](CO)C/C=C/C)c1 ZINC000185826431 381747350 /nfs/dbraw/zinc/74/73/50/381747350.db2.gz IPYPGOLXDLOGJU-UJAVWCLSSA-N 0 3 261.365 2.668 20 30 CFEDHN C=CCOCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000359999884 381718681 /nfs/dbraw/zinc/71/86/81/381718681.db2.gz PPMZSQMRXNAVMX-OAHLLOKOSA-N 0 3 277.364 2.701 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1C(C)(C)C ZINC000355357473 381762707 /nfs/dbraw/zinc/76/27/07/381762707.db2.gz VCKOUWCTMHKWAK-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000343517326 381767653 /nfs/dbraw/zinc/76/76/53/381767653.db2.gz XBXQSKFWORXJPE-GFCCVEGCSA-N 0 3 292.814 2.623 20 30 CFEDHN C=CCN(CCc1ccc2c(c1)OCCO2)C1CC1 ZINC000360212739 381772459 /nfs/dbraw/zinc/77/24/59/381772459.db2.gz KSOUTSPIGJDUKN-UHFFFAOYSA-N 0 3 259.349 2.651 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000361351093 381821362 /nfs/dbraw/zinc/82/13/62/381821362.db2.gz JSNLLCYLSMNRPE-IJLUTSLNSA-N 0 3 260.312 2.738 20 30 CFEDHN CC(C)c1nc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000361434119 381829286 /nfs/dbraw/zinc/82/92/86/381829286.db2.gz ACXWURPFAZHSIQ-SRVKXCTJSA-N 0 3 261.373 2.661 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2CCCC#N ZINC000372556349 381835688 /nfs/dbraw/zinc/83/56/88/381835688.db2.gz JGRNTZCWDXTRMO-BTTYYORXSA-N 0 3 293.411 2.810 20 30 CFEDHN N#Cc1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000372604370 381841583 /nfs/dbraw/zinc/84/15/83/381841583.db2.gz KLKNDLRTNNTAOX-UHFFFAOYSA-N 0 3 266.348 2.592 20 30 CFEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1ccccc1Cl ZINC000361203680 381807347 /nfs/dbraw/zinc/80/73/47/381807347.db2.gz DDTHUTMTZLMVQH-MNOVXSKESA-N 0 3 280.755 2.773 20 30 CFEDHN CCN(C[C@@H](O)COC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000299068801 381814213 /nfs/dbraw/zinc/81/42/13/381814213.db2.gz AXSBKTGSHGJLBP-RHSMWYFYSA-N 0 3 290.407 2.727 20 30 CFEDHN C=CCOc1cccc(CN(CC)[C@@H]2CCOC2)c1 ZINC000361239352 381814230 /nfs/dbraw/zinc/81/42/30/381814230.db2.gz YZPXLABSSUJHNG-OAHLLOKOSA-N 0 3 261.365 2.862 20 30 CFEDHN Cc1ccncc1N1CCN(CC(C)(C)CCC#N)CC1 ZINC000343664953 381876153 /nfs/dbraw/zinc/87/61/53/381876153.db2.gz CYZIFBSAXXCDRI-UHFFFAOYSA-N 0 3 286.423 2.842 20 30 CFEDHN C=CCN(CCOC)Cc1cc(-n2ccnc2)cs1 ZINC000361632252 381851232 /nfs/dbraw/zinc/85/12/32/381851232.db2.gz RYXQCVDUIYFLLO-UHFFFAOYSA-N 0 3 277.393 2.568 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(Cn2cncn2)CC1 ZINC000186224466 381857099 /nfs/dbraw/zinc/85/70/99/381857099.db2.gz WZRSPMHQVJNJKZ-AWEZNQCLSA-N 0 3 295.390 2.623 20 30 CFEDHN C=CCOCCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000361812176 381865184 /nfs/dbraw/zinc/86/51/84/381865184.db2.gz HBBAUWDIFRMVKJ-UHFFFAOYSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCN(CC=C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886082 381869018 /nfs/dbraw/zinc/86/90/18/381869018.db2.gz UAAVSYNZWQAGDG-UHFFFAOYSA-N 0 3 271.364 2.538 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1cccc(CNC)c1 ZINC000415925540 381871030 /nfs/dbraw/zinc/87/10/30/381871030.db2.gz AZQBXHJKLBPCQT-UHFFFAOYSA-N 0 3 261.369 2.740 20 30 CFEDHN CC(C)CN1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186284142 381874115 /nfs/dbraw/zinc/87/41/15/381874115.db2.gz ZXTAVNCXRBRTMU-HNNXBMFYSA-N 0 3 271.408 2.893 20 30 CFEDHN C#CCN(CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299326447 381896751 /nfs/dbraw/zinc/89/67/51/381896751.db2.gz GCAZBJCKFKISCO-UHFFFAOYSA-N 0 3 286.419 2.757 20 30 CFEDHN CCOC(=O)N1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000373117277 381930282 /nfs/dbraw/zinc/93/02/82/381930282.db2.gz DYPNCDPSSQIXET-UHFFFAOYSA-N 0 3 295.427 2.871 20 30 CFEDHN Cn1cccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362141637 381926694 /nfs/dbraw/zinc/92/66/94/381926694.db2.gz YCSVQUYAXCZEPD-SNVBAGLBSA-N 0 3 293.248 2.929 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)C[C@@H](C)CC ZINC000343690473 381889441 /nfs/dbraw/zinc/88/94/41/381889441.db2.gz RJOKGZJKSJYDON-LSDHHAIUSA-N 0 3 266.429 2.944 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2)C(C)C)CC1 ZINC000299313978 381893034 /nfs/dbraw/zinc/89/30/34/381893034.db2.gz GBZPZJZFCRGUQT-SFHVURJKSA-N 0 3 298.430 2.845 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000343766169 381932071 /nfs/dbraw/zinc/93/20/71/381932071.db2.gz CXVVQGBBPDFTHR-ZFWWWQNUSA-N 0 3 264.413 2.864 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000343835398 381972447 /nfs/dbraw/zinc/97/24/47/381972447.db2.gz IQKJMVCQYSISMY-UKRRQHHQSA-N 0 3 279.428 2.609 20 30 CFEDHN C[C@@H]1CCC[C@@H](CN2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000356985897 381943767 /nfs/dbraw/zinc/94/37/67/381943767.db2.gz XTCMNITTWHZRCV-NVXWUHKLSA-N 0 3 298.434 2.902 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc(O)cc2)c(F)c1 ZINC000343790470 381944329 /nfs/dbraw/zinc/94/43/29/381944329.db2.gz SOSKCIRUGHENOE-UHFFFAOYSA-N 0 3 270.307 2.735 20 30 CFEDHN C=CCOc1ccc(CN(CC)CCOC)cc1OC ZINC000349854668 381995804 /nfs/dbraw/zinc/99/58/04/381995804.db2.gz PMNBUHOUTYKLKO-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN Cc1cc(C)cc(CN2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373414428 381999923 /nfs/dbraw/zinc/99/99/23/381999923.db2.gz WGQPEQRNXBEOHN-UHFFFAOYSA-N 0 3 295.390 2.604 20 30 CFEDHN CCOC(=O)CC(C)(C)N(C)Cc1ccc(F)c(C#N)c1 ZINC000343890194 382006177 /nfs/dbraw/zinc/00/61/77/382006177.db2.gz SKFTZJVGAXPDPQ-UHFFFAOYSA-N 0 3 292.354 2.861 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373491709 382016212 /nfs/dbraw/zinc/01/62/12/382016212.db2.gz XOIZDBBGWDMJPY-QZTJIDSGSA-N 0 3 299.418 2.790 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)CC1(C)C ZINC000350181943 382008591 /nfs/dbraw/zinc/00/85/91/382008591.db2.gz UVYWQVBCORBNNF-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)c(C)c1 ZINC000373469304 382011030 /nfs/dbraw/zinc/01/10/30/382011030.db2.gz ZCWWVZLAKZZOLY-UHFFFAOYSA-N 0 3 295.390 2.604 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000373328540 381979988 /nfs/dbraw/zinc/97/99/88/381979988.db2.gz OSEVWNPHFGUGJR-KRWDZBQOSA-N 0 3 273.376 2.598 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000362275679 381986762 /nfs/dbraw/zinc/98/67/62/381986762.db2.gz AAOUGAWLUSKWQA-NVXWUHKLSA-N 0 3 288.435 2.878 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000186700114 381989501 /nfs/dbraw/zinc/98/95/01/381989501.db2.gz LUAKNGVTUXBUFE-QWRGUYRKSA-N 0 3 299.798 2.945 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)C/C=C\C)cc1 ZINC000349792907 381991335 /nfs/dbraw/zinc/99/13/35/381991335.db2.gz SVRYYIMYYHBKBN-QTLSWZBMSA-N 0 3 261.365 2.668 20 30 CFEDHN C=CCSc1ccccc1C(=O)NC[C@@H]1CCCN1C ZINC000362390443 382044218 /nfs/dbraw/zinc/04/42/18/382044218.db2.gz SRJXTWVIQZWFGX-ZDUSSCGKSA-N 0 3 290.432 2.789 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H](Oc2ccccc2)C1 ZINC000351593210 382045986 /nfs/dbraw/zinc/04/59/86/382045986.db2.gz BSNGTRMOGUHZOC-RDJZCZTQSA-N 0 3 275.392 2.857 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2COCc3ccccc32)C1 ZINC000417340599 382045904 /nfs/dbraw/zinc/04/59/04/382045904.db2.gz APRYGHFNUHFTHY-XPKDYRNWSA-N 0 3 256.349 2.930 20 30 CFEDHN N#CCCNC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000351590570 382046953 /nfs/dbraw/zinc/04/69/53/382046953.db2.gz WYLQESJINOOCQY-UHFFFAOYSA-N 0 3 277.799 2.808 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OCC(C)C)c1 ZINC000351602578 382047555 /nfs/dbraw/zinc/04/75/55/382047555.db2.gz IVMURTZQVKCZFN-OAHLLOKOSA-N 0 3 293.407 2.757 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1nc(C)ccc1C#N ZINC000343991748 382054079 /nfs/dbraw/zinc/05/40/79/382054079.db2.gz PPOGHFMAZQHDKX-CQSZACIVSA-N 0 3 258.369 2.548 20 30 CFEDHN CC#CCN[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000374773135 382055322 /nfs/dbraw/zinc/05/53/22/382055322.db2.gz BUZALYVNJUNHII-QZTJIDSGSA-N 0 3 284.403 2.586 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN2CCCC[C@H]2C1 ZINC000300121824 382056780 /nfs/dbraw/zinc/05/67/80/382056780.db2.gz XWCKSLJSZOMJTF-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN CC(C)(C#N)CCCCN1CCO[C@@H]2CCC[C@H]21 ZINC000300119806 382056953 /nfs/dbraw/zinc/05/69/53/382056953.db2.gz HVCHFWAMSVAXKC-ZIAGYGMSSA-N 0 3 250.386 2.960 20 30 CFEDHN C=C(C)CCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000351871894 382067063 /nfs/dbraw/zinc/06/70/63/382067063.db2.gz AXZVGRDUOHWSLX-HNNXBMFYSA-N 0 3 258.365 2.690 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CC)CC1 ZINC000343937831 382028546 /nfs/dbraw/zinc/02/85/46/382028546.db2.gz UBYGXXBSZCRVNV-OAHLLOKOSA-N 0 3 266.429 2.923 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000362372447 382032544 /nfs/dbraw/zinc/03/25/44/382032544.db2.gz ZVJTZDIIIQNIIG-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN C=C(C)CN1CCC(NCc2ncc(CC)s2)CC1 ZINC000344070943 382107086 /nfs/dbraw/zinc/10/70/86/382107086.db2.gz MWHSFMYACGSNLM-UHFFFAOYSA-N 0 3 279.453 2.836 20 30 CFEDHN C=C(CC)CN(C)CCOCc1ccc(C#N)cc1 ZINC000344074726 382110868 /nfs/dbraw/zinc/11/08/68/382110868.db2.gz QSYJLJIKMXQZGH-UHFFFAOYSA-N 0 3 258.365 2.973 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357327880 382111232 /nfs/dbraw/zinc/11/12/32/382111232.db2.gz VFOJEUJDYFYKRW-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN C[C@H]1OCC[C@@]12CN(CCCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000375923034 382111338 /nfs/dbraw/zinc/11/13/38/382111338.db2.gz YNLONDHWASLHDH-BFYDXBDKSA-N 0 3 294.439 2.975 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@](C)(O)CC2)cc1 ZINC000376018533 382114809 /nfs/dbraw/zinc/11/48/09/382114809.db2.gz JJRUJFKGZSAKOP-WMLDXEAASA-N 0 3 288.391 2.714 20 30 CFEDHN CC[C@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCOC2)O1 ZINC000376021522 382116566 /nfs/dbraw/zinc/11/65/66/382116566.db2.gz MXQNSDVOYDUNHN-HOCLYGCPSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(C)(CCC#N)CN1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000376021596 382116915 /nfs/dbraw/zinc/11/69/15/382116915.db2.gz NYKFHVMADSCURA-INIZCTEOSA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@@]1(O)C[C@H](NCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000418109343 382125569 /nfs/dbraw/zinc/12/55/69/382125569.db2.gz UHEYVFBAAVEXCG-BJHJDKERSA-N 0 3 284.281 2.580 20 30 CFEDHN C#CCCN1CCC[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000362456647 382078802 /nfs/dbraw/zinc/07/88/02/382078802.db2.gz UFRALCHNDYFGAH-AWEZNQCLSA-N 0 3 289.375 2.873 20 30 CFEDHN CC(C)CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000301105513 382082494 /nfs/dbraw/zinc/08/24/94/382082494.db2.gz PHDYQQWSDXMVRE-UHFFFAOYSA-N 0 3 257.381 2.726 20 30 CFEDHN CCC(CC)N(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000344034464 382083464 /nfs/dbraw/zinc/08/34/64/382083464.db2.gz RHYRZWQDNWXLIE-HNNXBMFYSA-N 0 3 267.417 2.551 20 30 CFEDHN N#CCCCCNc1ccncc1-c1cccnc1 ZINC000376227163 382126631 /nfs/dbraw/zinc/12/66/31/382126631.db2.gz IDLPXUYYLHMJCK-UHFFFAOYSA-N 0 3 252.321 2.671 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@H](N)c1ccccc1 ZINC000418217265 382129131 /nfs/dbraw/zinc/12/91/31/382129131.db2.gz OWCBGRHVFSDYMF-AWEZNQCLSA-N 0 3 275.396 2.588 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)NCC#Cc1ccccc1 ZINC000362478956 382090948 /nfs/dbraw/zinc/09/09/48/382090948.db2.gz FMAPZHNFIBAOBM-UHFFFAOYSA-N 0 3 292.382 2.530 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNC(=O)[C@](C)(C#N)CC ZINC000351965584 382097896 /nfs/dbraw/zinc/09/78/96/382097896.db2.gz UISPHTDMKGBHHX-ZBFHGGJFSA-N 0 3 279.428 2.697 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cccnc1C#N ZINC000357458098 382180275 /nfs/dbraw/zinc/18/02/75/382180275.db2.gz XMQODLUALBKOOF-KDOFPFPSSA-N 0 3 292.386 2.886 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCCN(CC(C)C)CC1 ZINC000376389905 382134609 /nfs/dbraw/zinc/13/46/09/382134609.db2.gz YWYUFAISSVUVRU-HNNXBMFYSA-N 0 3 281.444 2.714 20 30 CFEDHN C#CCCCCNCc1ncc(CSC)s1 ZINC000293468304 382135587 /nfs/dbraw/zinc/13/55/87/382135587.db2.gz DVUSHVHOIYACRA-UHFFFAOYSA-N 0 3 254.424 2.899 20 30 CFEDHN N#Cc1ccc(Cl)cc1N1CCN(c2ccncc2)CC1 ZINC000301299214 382141664 /nfs/dbraw/zinc/14/16/64/382141664.db2.gz ZRCVHHKLWGLGQZ-UHFFFAOYSA-N 0 3 298.777 2.933 20 30 CFEDHN C=CCOCCN[C@@H](c1cccs1)C(C)(C)CO ZINC000293528061 382158621 /nfs/dbraw/zinc/15/86/21/382158621.db2.gz JDZNINFMPLSPRB-ZDUSSCGKSA-N 0 3 269.410 2.600 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418653357 382169403 /nfs/dbraw/zinc/16/94/03/382169403.db2.gz OHRWKEFYICXHOA-SWLSCSKDSA-N 0 3 275.396 2.513 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418644092 382169695 /nfs/dbraw/zinc/16/96/95/382169695.db2.gz BUMJYCNYXSPAEA-MRXNPFEDSA-N 0 3 289.423 2.856 20 30 CFEDHN CC[C@]1(C)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344214529 382203908 /nfs/dbraw/zinc/20/39/08/382203908.db2.gz IRQNBXHUPDSDFH-FUHWJXTLSA-N 0 3 297.402 2.786 20 30 CFEDHN CC[C@]1(C)CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000344214915 382204573 /nfs/dbraw/zinc/20/45/73/382204573.db2.gz HBPUVYRIMGPPKB-NUEKZKHPSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCOCCN(Cc1ccc(OC)cc1)C1CC1 ZINC000293656349 382218540 /nfs/dbraw/zinc/21/85/40/382218540.db2.gz YHXZKLDVANSXGD-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302227062 382221845 /nfs/dbraw/zinc/22/18/45/382221845.db2.gz WPBBMDWCMITHJI-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN N#Cc1csc(CNc2nc3ccc(F)cc3[nH]2)c1 ZINC000362647542 382186523 /nfs/dbraw/zinc/18/65/23/382186523.db2.gz FSJTVQPRLFRCCE-UHFFFAOYSA-N 0 3 272.308 2.669 20 30 CFEDHN CN1CC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccs1 ZINC000376909438 382189673 /nfs/dbraw/zinc/18/96/73/382189673.db2.gz DDSUVEVQHYLCFE-XHDPSFHLSA-N 0 3 299.403 2.515 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419297893 382277108 /nfs/dbraw/zinc/27/71/08/382277108.db2.gz GXRAFKJEGLXVBH-HNNXBMFYSA-N 0 3 294.345 2.902 20 30 CFEDHN CC[C@H](NCC(=O)Nc1sccc1C#N)[C@@H]1CC1(C)C ZINC000419320224 382284253 /nfs/dbraw/zinc/28/42/53/382284253.db2.gz PSLDILKRAGTEDO-RYUDHWBXSA-N 0 3 291.420 2.973 20 30 CFEDHN C=CC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000363707478 382243240 /nfs/dbraw/zinc/24/32/40/382243240.db2.gz QQCQYEFGGXGFNI-ZWNOBZJWSA-N 0 3 283.368 2.598 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCOC1(C)C ZINC000293716398 382247814 /nfs/dbraw/zinc/24/78/14/382247814.db2.gz MGVMBOMXXIBKQI-HNNXBMFYSA-N 0 3 261.365 2.909 20 30 CFEDHN N#CCCCNCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000344299402 382259442 /nfs/dbraw/zinc/25/94/42/382259442.db2.gz HSMQRQVMSJEEFD-MRXNPFEDSA-N 0 3 274.364 2.638 20 30 CFEDHN CCN(C[C@@H](O)CSC)[C@@H](C)c1ccc(C#N)cc1 ZINC000187756094 382262819 /nfs/dbraw/zinc/26/28/19/382262819.db2.gz LNCRDTRVSYJPNQ-SWLSCSKDSA-N 0 3 278.421 2.665 20 30 CFEDHN C[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)[C@H]1C ZINC000419373636 382303288 /nfs/dbraw/zinc/30/32/88/382303288.db2.gz ONPHCDZAPTVWQM-XJIUQZFPSA-N 0 3 297.402 2.640 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCCc1ccccc1 ZINC000345774500 382312011 /nfs/dbraw/zinc/31/20/11/382312011.db2.gz AAXCWNSWXHBIQA-HNNXBMFYSA-N 0 3 299.418 2.502 20 30 CFEDHN CCCC[C@H](C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000352405431 382312106 /nfs/dbraw/zinc/31/21/06/382312106.db2.gz AQQVVHAEPYGDDK-AWEZNQCLSA-N 0 3 287.407 2.685 20 30 CFEDHN CC(C#N)C(=O)NCc1ccccc1OC1CCCC1 ZINC000345785901 382313115 /nfs/dbraw/zinc/31/31/15/382313115.db2.gz POPFAEBPVXBQDY-GFCCVEGCSA-N 0 3 272.348 2.784 20 30 CFEDHN CC(C)[C@@]1(CO)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000377671809 382315546 /nfs/dbraw/zinc/31/55/46/382315546.db2.gz KQLJKUYRRRUDSI-INIZCTEOSA-N 0 3 276.355 2.538 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H](C)CCCC ZINC000352414798 382319028 /nfs/dbraw/zinc/31/90/28/382319028.db2.gz KKQZWMSKEGVOJV-CQSZACIVSA-N 0 3 252.402 2.698 20 30 CFEDHN C[C@H](NCCC(C)(C)C#N)c1ccc2c(c1)NC(=O)CO2 ZINC000345919984 382322232 /nfs/dbraw/zinc/32/22/32/382322232.db2.gz ATQGIVBSRPVUTE-NSHDSACASA-N 0 3 287.363 2.608 20 30 CFEDHN N#Cc1cccc(C#N)c1N1CCN(C2CCCCC2)CC1 ZINC000302871879 382339316 /nfs/dbraw/zinc/33/93/16/382339316.db2.gz CDHWZSIONIZQKB-UHFFFAOYSA-N 0 3 294.402 2.885 20 30 CFEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)c2ccccn2)cc1 ZINC000352453686 382341619 /nfs/dbraw/zinc/34/16/19/382341619.db2.gz HCWHIZGIGMXACZ-CJNGLKHVSA-N 0 3 279.343 2.755 20 30 CFEDHN C=C[C@@H](CO)NC/C(C)=C\c1ccccc1OC(F)F ZINC000352473447 382351494 /nfs/dbraw/zinc/35/14/94/382351494.db2.gz UVERTLGQCFLWIP-ZWXCPPHNSA-N 0 3 283.318 2.828 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(C(F)(F)F)cc1C ZINC000352472501 382352001 /nfs/dbraw/zinc/35/20/01/382352001.db2.gz FTJKBQOMRREYFU-LBPRGKRZSA-N 0 3 259.271 2.650 20 30 CFEDHN Cn1cc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cc1C#N ZINC000377835489 382353644 /nfs/dbraw/zinc/35/36/44/382353644.db2.gz UKHZQGPAMJOTHP-HUUCEWRRSA-N 0 3 287.407 2.535 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccn1CCC(C)C ZINC000680484721 542329726 /nfs/dbraw/zinc/32/97/26/542329726.db2.gz MZIPWZDLOHGPKX-AWEZNQCLSA-N 0 3 250.386 2.561 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cccc(Cl)c1Cl ZINC000294017749 382379383 /nfs/dbraw/zinc/37/93/83/382379383.db2.gz QEQSVTISSDBOOC-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN C=CCCN1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365376391 382383460 /nfs/dbraw/zinc/38/34/60/382383460.db2.gz BPXHYNQKZRAJMU-KBPBESRZSA-N 0 3 280.412 2.894 20 30 CFEDHN C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C#N)o2)C1 ZINC000304358275 382398416 /nfs/dbraw/zinc/39/84/16/382398416.db2.gz XDALSBYNAIKKPX-MLGOLLRUSA-N 0 3 276.380 2.818 20 30 CFEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)c1ccncn1 ZINC000358045578 382426483 /nfs/dbraw/zinc/42/64/83/382426483.db2.gz HOWYAGBTEFUHCY-VIFPVBQESA-N 0 3 290.685 2.515 20 30 CFEDHN CCCN(CC(=O)NCc1cccc(C#N)c1)CC(C)C ZINC000346596011 382429629 /nfs/dbraw/zinc/42/96/29/382429629.db2.gz SOSKFCKECVPHLV-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN COc1cc(CNCCC(C)(F)F)ccc1C#N ZINC000294137952 382430893 /nfs/dbraw/zinc/43/08/93/382430893.db2.gz GBZKYURQRVSORW-UHFFFAOYSA-N 0 3 254.280 2.702 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000358084249 382443580 /nfs/dbraw/zinc/44/35/80/382443580.db2.gz DSYDUUUFWAVBSG-KCJUWKMLSA-N 0 3 297.280 2.622 20 30 CFEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccoc1 ZINC000378168832 382410196 /nfs/dbraw/zinc/41/01/96/382410196.db2.gz NDCDQWMSEDPTMZ-CYBMUJFWSA-N 0 3 296.374 2.866 20 30 CFEDHN CCc1ccc([C@@H](CNc2cncc(C#N)n2)N(C)C)cc1 ZINC000420586054 382411906 /nfs/dbraw/zinc/41/19/06/382411906.db2.gz ODWXQKMFVSFDES-MRXNPFEDSA-N 0 3 295.390 2.625 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC000420591468 382414193 /nfs/dbraw/zinc/41/41/93/382414193.db2.gz YKBRLIZBCGLYTP-HIFRSBDPSA-N 0 3 293.374 2.596 20 30 CFEDHN C=CC(C)(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000294190727 382453002 /nfs/dbraw/zinc/45/30/02/382453002.db2.gz GALKUFYPKXMIPS-UHFFFAOYSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCCC1(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000358108426 382456293 /nfs/dbraw/zinc/45/62/93/382456293.db2.gz OJOKZWREFQWLLD-UHFFFAOYSA-N 0 3 296.480 2.676 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000188706016 382460845 /nfs/dbraw/zinc/46/08/45/382460845.db2.gz KSGVJMSKGKDQKW-UMVBOHGHSA-N 0 3 252.402 2.530 20 30 CFEDHN CC(C)[C@@](C)(CO)NCC#Cc1ccccc1Cl ZINC000352881818 382479533 /nfs/dbraw/zinc/47/95/33/382479533.db2.gz KFLDJHQNKVUPPT-OAHLLOKOSA-N 0 3 265.784 2.688 20 30 CFEDHN N#CCCCCNCc1ccc(Br)cn1 ZINC000308866996 382486799 /nfs/dbraw/zinc/48/67/99/382486799.db2.gz XIIDLFZYNFRXSI-UHFFFAOYSA-N 0 3 268.158 2.628 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC12CCC2 ZINC000353011624 382487430 /nfs/dbraw/zinc/48/74/30/382487430.db2.gz LAXMZNOQRPRNKN-MRXNPFEDSA-N 0 3 287.403 2.783 20 30 CFEDHN C=C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420903562 382491370 /nfs/dbraw/zinc/49/13/70/382491370.db2.gz AVNGGBHNKMTJDZ-UHFFFAOYSA-N 0 3 286.419 2.671 20 30 CFEDHN CC#CCCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420922881 382498193 /nfs/dbraw/zinc/49/81/93/382498193.db2.gz GPTIGNZOSOQVKO-KGLIPLIRSA-N 0 3 265.397 2.842 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420929927 382499180 /nfs/dbraw/zinc/49/91/80/382499180.db2.gz DYNGGYIZJWEVTC-UHFFFAOYSA-N 0 3 274.408 2.527 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H](C)C[C@@H](CO)C1 ZINC000421364346 382513033 /nfs/dbraw/zinc/51/30/33/382513033.db2.gz RTOXDTJSGWHVDO-HUUCEWRRSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCc1cc(CN[C@@H](C)[C@@H](C)OC)cc(OC)c1O ZINC000189122377 382549446 /nfs/dbraw/zinc/54/94/46/382549446.db2.gz WHZAKDBYRUQTJL-NWDGAFQWSA-N 0 3 279.380 2.642 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1nc2c(s1)CCC2 ZINC000328646998 382560437 /nfs/dbraw/zinc/56/04/37/382560437.db2.gz HDAKJQBCKCPVQK-ZJUUUORDSA-N 0 3 279.409 2.998 20 30 CFEDHN C[C@H](NCC1(CO)CCC1)c1ccc(C#N)c(F)c1 ZINC000346891092 382562241 /nfs/dbraw/zinc/56/22/41/382562241.db2.gz WDSZYTXMDYAYEU-NSHDSACASA-N 0 3 262.328 2.511 20 30 CFEDHN C[C@]1(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCC(=O)NC1 ZINC000328671899 382563357 /nfs/dbraw/zinc/56/33/57/382563357.db2.gz NSOIBCRGFSMBKL-WBMJQRKESA-N 0 3 293.411 2.716 20 30 CFEDHN C#Cc1ccc(CNCc2ccc3c(c2)CCN3C)cc1 ZINC000367309723 382564768 /nfs/dbraw/zinc/56/47/68/382564768.db2.gz YJVSSLUSCHFPBY-UHFFFAOYSA-N 0 3 276.383 2.950 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000346912928 382569304 /nfs/dbraw/zinc/56/93/04/382569304.db2.gz YAHPEMYWIISVNI-ZDUSSCGKSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068597 382535192 /nfs/dbraw/zinc/53/51/92/382535192.db2.gz ZQUAKBNNNAYLTI-PBHICJAKSA-N 0 3 286.419 2.945 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)CCCOC(C)C ZINC000382808085 382536321 /nfs/dbraw/zinc/53/63/21/382536321.db2.gz ZUCPQYHHTUJODK-UHFFFAOYSA-N 0 3 276.380 2.814 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000320332010 382537338 /nfs/dbraw/zinc/53/73/38/382537338.db2.gz ZIXQPUOKDVDQND-LLVKDONJSA-N 0 3 284.743 2.665 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(OC)cc1F ZINC000320250608 382537601 /nfs/dbraw/zinc/53/76/01/382537601.db2.gz IDAVDWMLYPJPFB-NEPJUHHUSA-N 0 3 267.344 2.812 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000295304665 382612663 /nfs/dbraw/zinc/61/26/63/382612663.db2.gz KIKFQNISPKMXLB-GDBMZVCRSA-N 0 3 286.419 2.835 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@@H](C)O1 ZINC000398112221 382635078 /nfs/dbraw/zinc/63/50/78/382635078.db2.gz NMHDPXCKSUYEGZ-HIFRSBDPSA-N 0 3 261.365 2.909 20 30 CFEDHN CN(Cc1ccccc1)C1(CNC(=O)C(C)(C)C#N)CCC1 ZINC000395271666 382629695 /nfs/dbraw/zinc/62/96/95/382629695.db2.gz NDDUNGPQQCCCFJ-UHFFFAOYSA-N 0 3 299.418 2.707 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2C=CCCC2)CC1 ZINC000189278851 382580157 /nfs/dbraw/zinc/58/01/57/382580157.db2.gz GSCIPCBVLHEROG-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccc(C)cc1 ZINC000346945145 382580565 /nfs/dbraw/zinc/58/05/65/382580565.db2.gz NCIAEVSOXXMZSS-OAHLLOKOSA-N 0 3 285.391 2.598 20 30 CFEDHN C[C@](O)(CCNCc1ccc(C#N)o1)c1ccccc1 ZINC000189830675 382642308 /nfs/dbraw/zinc/64/23/08/382642308.db2.gz KFRZBFJWDJGQMV-INIZCTEOSA-N 0 3 270.332 2.539 20 30 CFEDHN C[C@@H]1CSCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000190415936 382667044 /nfs/dbraw/zinc/66/70/44/382667044.db2.gz GWIJZOYXXOAFRW-NSHDSACASA-N 0 3 264.369 2.882 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)C#N ZINC000398168648 382635419 /nfs/dbraw/zinc/63/54/19/382635419.db2.gz NNNXBYBBGOGFDH-HOCLYGCPSA-N 0 3 299.418 2.563 20 30 CFEDHN C=CCN(CCOC)CCc1ccc(F)c(F)c1 ZINC000191128547 382692247 /nfs/dbraw/zinc/69/22/47/382692247.db2.gz ZEUXLYFSYBULLB-UHFFFAOYSA-N 0 3 255.308 2.642 20 30 CFEDHN Cn1cc(CN2CC[C@@H](c3ccccc3)C2)cc1C#N ZINC000191235578 382696824 /nfs/dbraw/zinc/69/68/24/382696824.db2.gz SZHHXMHYYRVROK-MRXNPFEDSA-N 0 3 265.360 2.886 20 30 CFEDHN Cn1cc(CN2CC[C@H](Cc3ccccc3)C2)cc1C#N ZINC000191235702 382696850 /nfs/dbraw/zinc/69/68/50/382696850.db2.gz IRGFTHOOBODHSS-MRXNPFEDSA-N 0 3 279.387 2.961 20 30 CFEDHN CC[C@@H](O)CN(Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191406085 382699828 /nfs/dbraw/zinc/69/98/28/382699828.db2.gz DUVALIMGKWBGSC-GOSISDBHSA-N 0 3 297.402 2.670 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CCC1 ZINC000191929053 382703434 /nfs/dbraw/zinc/70/34/34/382703434.db2.gz JOMCVVDPMYHNES-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000192148387 382705082 /nfs/dbraw/zinc/70/50/82/382705082.db2.gz MIJNJMPDFSNYSU-SJLPKXTDSA-N 0 3 298.430 2.959 20 30 CFEDHN C#CCCCC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000192274349 382706491 /nfs/dbraw/zinc/70/64/91/382706491.db2.gz KYCJAAOUYHKAED-UHFFFAOYSA-N 0 3 286.419 2.689 20 30 CFEDHN CCC(C)(C)N(CCC#N)C(=O)C1CCN(C2CC2)CC1 ZINC000192849580 382712901 /nfs/dbraw/zinc/71/29/01/382712901.db2.gz KHLOVXZRIYQBBI-UHFFFAOYSA-N 0 3 291.439 2.792 20 30 CFEDHN CC[C@H](C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000336826165 382724016 /nfs/dbraw/zinc/72/40/16/382724016.db2.gz IUPKHMINQOFCJR-ZDUSSCGKSA-N 0 3 275.371 2.865 20 30 CFEDHN COc1ccc([C@H](O)CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000193872285 382727595 /nfs/dbraw/zinc/72/75/95/382727595.db2.gz COEUJDQFHMGDIB-SCLBCKFNSA-N 0 3 296.370 2.951 20 30 CFEDHN C=CCN1CC[C@H](N[C@]2(C)CCCc3ccccc32)C1=O ZINC000337153256 382768516 /nfs/dbraw/zinc/76/85/16/382768516.db2.gz LSZDIXPKBNRTMO-FUHWJXTLSA-N 0 3 284.403 2.615 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(CC=C)C1=O ZINC000337168437 382770664 /nfs/dbraw/zinc/77/06/64/382770664.db2.gz DDEUAAQRMNPLNH-INIZCTEOSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCC(C)(C)C)C1=O ZINC000337200036 382775668 /nfs/dbraw/zinc/77/56/68/382775668.db2.gz BLHVCLLTIOXNDB-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@]2(C)Cc2ccccc2)C1=O ZINC000337203724 382776207 /nfs/dbraw/zinc/77/62/07/382776207.db2.gz ICINRYCXKYFYCB-IEBWSBKVSA-N 0 3 298.430 2.871 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCC(C)(C)CC)C1=O ZINC000337227260 382780550 /nfs/dbraw/zinc/78/05/50/382780550.db2.gz PXHOPXCWMFPMHL-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN N#CCCCCN[C@H](CO)c1cccc(Cl)c1F ZINC000337231192 382781042 /nfs/dbraw/zinc/78/10/42/382781042.db2.gz UGTUNBKTLUOSER-GFCCVEGCSA-N 0 3 270.735 2.796 20 30 CFEDHN CCC(CC)[C@H](O)CNCc1cc(C#N)cs1 ZINC000224161399 382809526 /nfs/dbraw/zinc/80/95/26/382809526.db2.gz IQFCEBLBEWFBIB-CYBMUJFWSA-N 0 3 252.383 2.506 20 30 CFEDHN CCC(CC)(CO)CNCc1ccc(C#N)cc1F ZINC000229208813 382851135 /nfs/dbraw/zinc/85/11/35/382851135.db2.gz RPKKCINJIYZFSD-UHFFFAOYSA-N 0 3 264.344 2.586 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000494411782 382912383 /nfs/dbraw/zinc/91/23/83/382912383.db2.gz ONZABKMLJCZIBE-OWCLPIDISA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493901719 382906515 /nfs/dbraw/zinc/90/65/15/382906515.db2.gz WNPMNFRBATZWLU-UKRRQHHQSA-N 0 3 296.773 2.917 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000494411781 382912437 /nfs/dbraw/zinc/91/24/37/382912437.db2.gz ONZABKMLJCZIBE-HRCADAONSA-N 0 3 293.455 2.857 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C)(CC)CC1 ZINC000337687958 382855572 /nfs/dbraw/zinc/85/55/72/382855572.db2.gz LXZDZWCIAUPRQX-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN Cn1cc(CN[C@H]2CCc3ccccc32)cc1C#N ZINC000232313902 382868389 /nfs/dbraw/zinc/86/83/89/382868389.db2.gz ZZQLXHKHZVCYPH-INIZCTEOSA-N 0 3 251.333 2.674 20 30 CFEDHN CCCC[C@H](C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000577802236 382870696 /nfs/dbraw/zinc/87/06/96/382870696.db2.gz MZXQUKGGIZQHIS-AWEZNQCLSA-N 0 3 279.428 2.840 20 30 CFEDHN N#Cc1cccc(CN[C@H](CO)CC2CCCC2)c1 ZINC000337838769 382870906 /nfs/dbraw/zinc/87/09/06/382870906.db2.gz YNKVMDHHHHJABA-INIZCTEOSA-N 0 3 258.365 2.589 20 30 CFEDHN CCOC[C@@H](NCc1ccc(C#N)c(OC)c1)C(C)C ZINC000233734392 382871570 /nfs/dbraw/zinc/87/15/70/382871570.db2.gz WOFKFUYHYHBZIH-OAHLLOKOSA-N 0 3 276.380 2.718 20 30 CFEDHN Cc1nccn1CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000338006491 382897736 /nfs/dbraw/zinc/89/77/36/382897736.db2.gz IEQPVRKGALPCSF-GFCCVEGCSA-N 0 3 286.354 2.943 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](c2ccncc2)C1 ZINC000578203637 382900885 /nfs/dbraw/zinc/90/08/85/382900885.db2.gz YDFQMLDCSDCXFR-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC1CCN(CC(=C)C)CC1 ZINC000494912266 382939731 /nfs/dbraw/zinc/93/97/31/382939731.db2.gz WQPXDTPUQKOXFN-INIZCTEOSA-N 0 3 291.439 2.777 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000578642536 382940328 /nfs/dbraw/zinc/94/03/28/382940328.db2.gz PDUXKHWCRGPMKL-LZWOXQAQSA-N 0 3 289.423 2.592 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000578713189 382946355 /nfs/dbraw/zinc/94/63/55/382946355.db2.gz QPFDRJJPGMCIHC-KPXOXKRLSA-N 0 3 293.164 2.581 20 30 CFEDHN CN(C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)c1c(F)cccc1F ZINC000442761438 382951813 /nfs/dbraw/zinc/95/18/13/382951813.db2.gz CACAPDXVSQNOPB-LALPHHSUSA-N 0 3 293.361 2.849 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)C1 ZINC000442775025 382954550 /nfs/dbraw/zinc/95/45/50/382954550.db2.gz DZTOQJARZRPDBA-BDAKNGLRSA-N 0 3 289.326 2.986 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCCCN1CC ZINC000495045404 382954917 /nfs/dbraw/zinc/95/49/17/382954917.db2.gz LYVKLZOIEMHYMW-GJZGRUSLSA-N 0 3 279.428 2.611 20 30 CFEDHN N#CC1(c2ccccc2)CCC(NCc2cc[nH]n2)CC1 ZINC000536637675 382956908 /nfs/dbraw/zinc/95/69/08/382956908.db2.gz PEAWIEJSPCDJBC-UHFFFAOYSA-N 0 3 280.375 2.903 20 30 CFEDHN Cc1ccn(-c2ccccc2CN[C@@H]2CC[C@H](C#N)C2)n1 ZINC000442816276 382958520 /nfs/dbraw/zinc/95/85/20/382958520.db2.gz DOHZMYOKNWFLBA-GOEBONIOSA-N 0 3 280.375 2.963 20 30 CFEDHN CCCCn1cc(CN[C@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000442829302 382960192 /nfs/dbraw/zinc/96/01/92/382960192.db2.gz ORYHCBLJJYJFRC-ZFWWWQNUSA-N 0 3 260.385 2.774 20 30 CFEDHN CCSc1cc(CN[C@@H]2CC[C@@H](C#N)C2)ccn1 ZINC000442838536 382960243 /nfs/dbraw/zinc/96/02/43/382960243.db2.gz TUCPVBJFUPNCTP-DGCLKSJQSA-N 0 3 261.394 2.975 20 30 CFEDHN Cc1ccsc1[C@H](CO)NCc1ccc(CC#N)cc1 ZINC000494656804 382915821 /nfs/dbraw/zinc/91/58/21/382915821.db2.gz QMQKPFZJGDLUBU-HNNXBMFYSA-N 0 3 286.400 2.946 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000338120632 382925842 /nfs/dbraw/zinc/92/58/42/382925842.db2.gz TVZPSCKQSGIFMO-OAHLLOKOSA-N 0 3 297.402 2.613 20 30 CFEDHN CCN(CCNCc1ccc(C#N)o1)CCC(F)(F)F ZINC000494850183 382935502 /nfs/dbraw/zinc/93/55/02/382935502.db2.gz RJEJLOIEURXDTK-UHFFFAOYSA-N 0 3 289.301 2.515 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000338288150 382977243 /nfs/dbraw/zinc/97/72/43/382977243.db2.gz CKELZJOVHPUEHX-OLZOCXBDSA-N 0 3 274.364 2.544 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCCCC(C)(C)C#N)C[C@H]1C ZINC000444694477 382978510 /nfs/dbraw/zinc/97/85/10/382978510.db2.gz QLNMQYRWYRVUOK-ZIAGYGMSSA-N 0 3 280.412 2.837 20 30 CFEDHN C=CC[C@@H]1N(Cc2n[nH]c(CC)n2)CCCC1(C)C ZINC000444780277 382981413 /nfs/dbraw/zinc/98/14/13/382981413.db2.gz DNXHPIVURMXAHJ-LBPRGKRZSA-N 0 3 262.401 2.934 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](C(C)C)C1 ZINC000444764507 382981496 /nfs/dbraw/zinc/98/14/96/382981496.db2.gz BLYFLLHQKVLLOU-CVEARBPZSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CC[C@@H]1N(C[C@H](O)C(F)(F)F)CCCC1(C)C ZINC000444788543 382981618 /nfs/dbraw/zinc/98/16/18/382981618.db2.gz WLNWZTKTIITFKK-QWRGUYRKSA-N 0 3 265.319 2.976 20 30 CFEDHN C=CC[C@H]1N(CC(=O)N[C@@H](C)CC)CCCC1(C)C ZINC000444784686 382981762 /nfs/dbraw/zinc/98/17/62/382981762.db2.gz WGDBDBKWZKZZRW-UONOGXRCSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@H]1N(C[C@@H](O)C(F)(F)F)CCCC1(C)C ZINC000444788541 382982619 /nfs/dbraw/zinc/98/26/19/382982619.db2.gz WLNWZTKTIITFKK-GHMZBOCLSA-N 0 3 265.319 2.976 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C(C)C)C2)CC1 ZINC000445510657 382983246 /nfs/dbraw/zinc/98/32/46/382983246.db2.gz ABXKUSXFWLIYSJ-OAHLLOKOSA-N 0 3 293.455 2.714 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000579465679 383018640 /nfs/dbraw/zinc/01/86/40/383018640.db2.gz BBFWXAMKQYRVFK-DJIMGWMZSA-N 0 3 283.375 2.940 20 30 CFEDHN C[C@@H](C#N)CNC1CCN(c2ccc(F)cc2F)CC1 ZINC000541763993 382966054 /nfs/dbraw/zinc/96/60/54/382966054.db2.gz ILXFTVVXBVMMDV-NSHDSACASA-N 0 3 279.334 2.683 20 30 CFEDHN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000541949216 382968047 /nfs/dbraw/zinc/96/80/47/382968047.db2.gz RERNAFDWSFSDKI-HOCLYGCPSA-N 0 3 291.439 2.792 20 30 CFEDHN C=CCCCNC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000447956113 383034177 /nfs/dbraw/zinc/03/41/77/383034177.db2.gz SRCZSXWGKONWLS-OKILXGFUSA-N 0 3 267.417 2.515 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000245772498 383034387 /nfs/dbraw/zinc/03/43/87/383034387.db2.gz SCIHGGFRRFLDQN-WMZOPIPTSA-N 0 3 285.387 2.700 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@H](C)C1 ZINC000245965156 383054430 /nfs/dbraw/zinc/05/44/30/383054430.db2.gz VLCRUQBVUMFDLF-RBSFLKMASA-N 0 3 291.439 2.695 20 30 CFEDHN CN([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000579829734 383056415 /nfs/dbraw/zinc/05/64/15/383056415.db2.gz ZQYKQBQUBDLUDZ-OAHLLOKOSA-N 0 3 285.391 2.784 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CNC/C=C\CC ZINC000579824851 383056459 /nfs/dbraw/zinc/05/64/59/383056459.db2.gz WWPGGVXBEFMTSK-SBSDFTTDSA-N 0 3 275.392 2.711 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)C(C)C ZINC000246509625 383079682 /nfs/dbraw/zinc/07/96/82/383079682.db2.gz QOEBWMLRPZPVCL-GVDBMIGSSA-N 0 3 290.451 2.847 20 30 CFEDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)C(C)C#N ZINC000448452046 383060967 /nfs/dbraw/zinc/06/09/67/383060967.db2.gz JIOMLVVHRSOTPN-IIAWOOMASA-N 0 3 286.375 2.961 20 30 CFEDHN CC(C)c1ccc(O[C@@H](C)CNC(=O)C(C)C#N)cc1 ZINC000554022683 383122441 /nfs/dbraw/zinc/12/24/41/383122441.db2.gz JJXYMKQXPWXVCR-OLZOCXBDSA-N 0 3 274.364 2.853 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)C12CCCC2 ZINC000554069175 383123321 /nfs/dbraw/zinc/12/33/21/383123321.db2.gz MACLRXVENCNOIN-JKSUJKDBSA-N 0 3 285.391 2.781 20 30 CFEDHN CC[C@H](CC#N)NCCCN(C)C(=O)OC(C)(C)C ZINC000496777497 383124511 /nfs/dbraw/zinc/12/45/11/383124511.db2.gz MKTBWDQRKCKLOD-GFCCVEGCSA-N 0 3 269.389 2.525 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)CCC[C@@H]1C ZINC000246977935 383127622 /nfs/dbraw/zinc/12/76/22/383127622.db2.gz SELHGGJCAPIKQT-IJEWVQPXSA-N 0 3 279.428 2.551 20 30 CFEDHN Cc1ccc(C[C@@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000554819732 383146302 /nfs/dbraw/zinc/14/63/02/383146302.db2.gz DRSOTGLHIHSOED-ZBFHGGJFSA-N 0 3 270.376 2.936 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000501506969 383137594 /nfs/dbraw/zinc/13/75/94/383137594.db2.gz WPZTWVFPIJEMDP-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCN(C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000496319511 383087567 /nfs/dbraw/zinc/08/75/67/383087567.db2.gz CWRMBROLEMZLPX-CXAGYDPISA-N 0 3 292.423 2.894 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496343889 383091197 /nfs/dbraw/zinc/09/11/97/383091197.db2.gz MHNQCLZCCKFWAC-CZUORRHYSA-N 0 3 295.427 2.915 20 30 CFEDHN C[C@@H](C#N)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000583980803 383094727 /nfs/dbraw/zinc/09/47/27/383094727.db2.gz KDVRHHXISPQZGG-AWEZNQCLSA-N 0 3 285.391 2.562 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000552999601 383096782 /nfs/dbraw/zinc/09/67/82/383096782.db2.gz OKJWTFNABJDYBJ-RHSMWYFYSA-N 0 3 292.386 2.623 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(C3CC3)C2)CCCCC1 ZINC000448792666 383100437 /nfs/dbraw/zinc/10/04/37/383100437.db2.gz JDWYHGPXGBTCAC-AWEZNQCLSA-N 0 3 276.424 2.866 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCCC(C)C)CC1 ZINC000448921209 383106738 /nfs/dbraw/zinc/10/67/38/383106738.db2.gz LNYYJXLVMAIQHD-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C[C@@H]1CCN(CCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496511001 383109739 /nfs/dbraw/zinc/10/97/39/383109739.db2.gz GYIVYEWZDBPVDX-ZIAGYGMSSA-N 0 3 295.427 2.773 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000246902710 383119003 /nfs/dbraw/zinc/11/90/03/383119003.db2.gz MJJMNYNRZHQNTK-PMPSAXMXSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219157 383177790 /nfs/dbraw/zinc/17/77/90/383177790.db2.gz SSGRANVQOCWATP-CQSZACIVSA-N 0 3 276.336 2.764 20 30 CFEDHN C=CCOCCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000339204768 383183279 /nfs/dbraw/zinc/18/32/79/383183279.db2.gz PBTTUFQCZMVBEY-KRWDZBQOSA-N 0 3 273.376 2.659 20 30 CFEDHN C[C@H]1CN(CCCC(C)(C)C#N)CC2(CCC2)O1 ZINC000566183984 383184569 /nfs/dbraw/zinc/18/45/69/383184569.db2.gz HGHSTSFHUCHXES-ZDUSSCGKSA-N 0 3 250.386 2.960 20 30 CFEDHN CC[C@@H](C)CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000247587810 383185877 /nfs/dbraw/zinc/18/58/77/383185877.db2.gz MPEUNCIDQHKLIQ-ZIAGYGMSSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(C)CC1 ZINC000339255600 383187276 /nfs/dbraw/zinc/18/72/76/383187276.db2.gz LQJWBUKQPRFIMG-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN CCN1CC[C@H]2OCCN(CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000339388450 383193131 /nfs/dbraw/zinc/19/31/31/383193131.db2.gz ZPVHWGSLSSRBDU-HZPDHXFCSA-N 0 3 293.455 2.501 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000509611530 383148315 /nfs/dbraw/zinc/14/83/15/383148315.db2.gz QZCIPGRCAFMBRI-KGLIPLIRSA-N 0 3 293.411 2.926 20 30 CFEDHN N#CCSCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000555288680 383148363 /nfs/dbraw/zinc/14/83/63/383148363.db2.gz GZZZSDRPKIFTCF-NSHDSACASA-N 0 3 296.358 2.677 20 30 CFEDHN CC(C)(C)N1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000514959427 383156517 /nfs/dbraw/zinc/15/65/17/383156517.db2.gz SWCLUZJJDQNLIM-UHFFFAOYSA-N 0 3 292.814 2.917 20 30 CFEDHN C=CCSCCNCc1cc(OC)c(OC)cc1F ZINC000515305260 383159481 /nfs/dbraw/zinc/15/94/81/383159481.db2.gz QGAOSMLLAODRGK-UHFFFAOYSA-N 0 3 285.384 2.852 20 30 CFEDHN Cc1ccn(C2CCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000339138879 383162898 /nfs/dbraw/zinc/16/28/98/383162898.db2.gz ZWLATCWGLKJDPA-HIFRSBDPSA-N 0 3 258.369 2.521 20 30 CFEDHN C[C@@H](CN1CCC[C@H](C)C1)NCc1ccc(C#N)s1 ZINC000247396016 383170029 /nfs/dbraw/zinc/17/00/29/383170029.db2.gz WNBVGNIWTUOFRL-STQMWFEESA-N 0 3 277.437 2.830 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000424775532 383258219 /nfs/dbraw/zinc/25/82/19/383258219.db2.gz HXZQSMCJXUHMLN-CYBMUJFWSA-N 0 3 252.402 2.578 20 30 CFEDHN C[C@H]1CCN(CCNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000567417298 383273675 /nfs/dbraw/zinc/27/36/75/383273675.db2.gz UCXNMBHSKWCUNS-AWEZNQCLSA-N 0 3 299.418 2.559 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000424658594 383222822 /nfs/dbraw/zinc/22/28/22/383222822.db2.gz GVIYVLFTKFAKNQ-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN N#Cc1ccc(CNCCc2cnc(C3CC3)nc2)s1 ZINC000339510989 383225395 /nfs/dbraw/zinc/22/53/95/383225395.db2.gz XJWIRDCSYLYFQQ-UHFFFAOYSA-N 0 3 284.388 2.619 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000424669829 383225555 /nfs/dbraw/zinc/22/55/55/383225555.db2.gz TVYVCSWIBTWNPF-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C ZINC000248372011 383231281 /nfs/dbraw/zinc/23/12/81/383231281.db2.gz ZJHVHDWBYQCSDP-RDBSUJKOSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000248451097 383244991 /nfs/dbraw/zinc/24/49/91/383244991.db2.gz IWOYXOYQPUDNHE-CVEARBPZSA-N 0 3 286.419 2.783 20 30 CFEDHN CC(C)[C@@H]1C[C@@H](CNCc2nc(C#N)cs2)CCO1 ZINC000449489893 383327612 /nfs/dbraw/zinc/32/76/12/383327612.db2.gz BBNRXZXJSDLMJZ-AAEUAGOBSA-N 0 3 279.409 2.556 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](C)C1 ZINC000249327194 383339999 /nfs/dbraw/zinc/33/99/99/383339999.db2.gz NTDBNXGRYOCGDA-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCC[C@@H](C)N(C)[C@@H]1CCCCN(C)C1=O ZINC000634743010 383341884 /nfs/dbraw/zinc/34/18/84/383341884.db2.gz GKJNIQKKPCVHEB-ZIAGYGMSSA-N 0 3 252.402 2.674 20 30 CFEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000449507084 383343460 /nfs/dbraw/zinc/34/34/60/383343460.db2.gz DLTDRGGDUWMGNG-KGLIPLIRSA-N 0 3 292.404 2.831 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000466780245 383344201 /nfs/dbraw/zinc/34/42/01/383344201.db2.gz TYUWQPOTAKDUPO-ZBFHGGJFSA-N 0 3 293.455 2.857 20 30 CFEDHN Cc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H](C#N)C3)C2=O)cc1 ZINC000248786521 383290756 /nfs/dbraw/zinc/29/07/56/383290756.db2.gz IJHOGVKYCMMZOS-INMHGKMJSA-N 0 3 297.402 2.772 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000567617423 383293582 /nfs/dbraw/zinc/29/35/82/383293582.db2.gz JWGVKVCRSLJDJE-ABAIWWIYSA-N 0 3 264.344 2.584 20 30 CFEDHN Cc1cc(N2CCN(C3CCCCC3)CC2)c(C#N)cn1 ZINC000425241601 383346949 /nfs/dbraw/zinc/34/69/49/383346949.db2.gz QLWMFZWQVQSORE-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(C)cc1Cl ZINC000568030209 383347147 /nfs/dbraw/zinc/34/71/47/383347147.db2.gz NEXSGFIVUHATGN-LBPRGKRZSA-N 0 3 253.773 2.923 20 30 CFEDHN COc1ccc(CN2CC[C@H](c3cccnc3)C2)cc1C#N ZINC000567799132 383317604 /nfs/dbraw/zinc/31/76/04/383317604.db2.gz BUYRQPVQXHVSOT-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN C=C(C)CCNCc1cc(C(=O)OC)c(CC)o1 ZINC000449475993 383317759 /nfs/dbraw/zinc/31/77/59/383317759.db2.gz MEDBNJWCYMHJFF-UHFFFAOYSA-N 0 3 251.326 2.684 20 30 CFEDHN OCC[C@@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426266795 383397120 /nfs/dbraw/zinc/39/71/20/383397120.db2.gz KZIUTQXXQCHWLN-HNNXBMFYSA-N 0 3 297.320 2.904 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCC2CC2)cc1 ZINC000525922194 383409461 /nfs/dbraw/zinc/40/94/61/383409461.db2.gz GBJVOLZZAHDJCU-MRXNPFEDSA-N 0 3 281.359 2.547 20 30 CFEDHN CC[C@H](C)N[C@@H](CNc1cc(C)ncc1C#N)c1ccco1 ZINC000425255898 383350855 /nfs/dbraw/zinc/35/08/55/383350855.db2.gz QNAYAQDZGFQJMT-LRDDRELGSA-N 0 3 298.390 2.818 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2cnn(C)c2)s1 ZINC000449517520 383351887 /nfs/dbraw/zinc/35/18/87/383351887.db2.gz GGXSDASGSLUTEL-KGLIPLIRSA-N 0 3 289.404 2.582 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(F)F)c(OC)c1 ZINC000449521156 383352692 /nfs/dbraw/zinc/35/26/92/383352692.db2.gz QYHRJFRFMFGWJO-NEPJUHHUSA-N 0 3 299.317 2.730 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1c[nH]c(-c2ccccc2)n1 ZINC000449547459 383354667 /nfs/dbraw/zinc/35/46/67/383354667.db2.gz ICIQTLGAKRQUGQ-CVEARBPZSA-N 0 3 283.375 2.900 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(-c2ccccc2)[nH]1 ZINC000449547459 383354671 /nfs/dbraw/zinc/35/46/71/383354671.db2.gz ICIQTLGAKRQUGQ-CVEARBPZSA-N 0 3 283.375 2.900 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449664295 383359541 /nfs/dbraw/zinc/35/95/41/383359541.db2.gz BGIVNSVBOMTEIK-GHMZBOCLSA-N 0 3 278.318 2.561 20 30 CFEDHN C=CCC[C@H](CO)NCc1cccc(OC(F)F)c1 ZINC000449694043 383361289 /nfs/dbraw/zinc/36/12/89/383361289.db2.gz AJFSJPZEOYEEBV-GFCCVEGCSA-N 0 3 271.307 2.705 20 30 CFEDHN C=CCC[C@H](CO)NCc1cn(-c2ccccc2)nc1C ZINC000449697662 383362018 /nfs/dbraw/zinc/36/20/18/383362018.db2.gz LLIBINZNUBRXMY-MRXNPFEDSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CCCCCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000568185487 383371247 /nfs/dbraw/zinc/37/12/47/383371247.db2.gz ABNSLPVPHFXBDA-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN CC(C)[C@H](CNC(=O)C(C)C#N)Cc1ccccc1 ZINC000470732348 383376563 /nfs/dbraw/zinc/37/65/63/383376563.db2.gz INTCJBYUUQSZFD-HIFRSBDPSA-N 0 3 258.365 2.777 20 30 CFEDHN C=C(C)COc1cc(CN(C)CCCCO)ccc1OC ZINC000471806034 383378714 /nfs/dbraw/zinc/37/87/14/383378714.db2.gz VWISYHZKMIHYAP-UHFFFAOYSA-N 0 3 293.407 2.854 20 30 CFEDHN CN(CCCCO)Cc1cccc(OCCCC#N)c1 ZINC000471822934 383379652 /nfs/dbraw/zinc/37/96/52/383379652.db2.gz NZPHMXRPPPYCDC-UHFFFAOYSA-N 0 3 276.380 2.573 20 30 CFEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccco2)s1 ZINC000487571602 383480974 /nfs/dbraw/zinc/48/09/74/383480974.db2.gz ISSCXRXVANDUHQ-NSHDSACASA-N 0 3 278.377 2.677 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]([C@H](C)O)C1 ZINC000526942467 383439026 /nfs/dbraw/zinc/43/90/26/383439026.db2.gz WSZOKUQMYYPNCY-DVOMOZLQSA-N 0 3 258.365 2.712 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253088779 383442812 /nfs/dbraw/zinc/44/28/12/383442812.db2.gz FYBDXSLDBZATBN-YNEHKIRRSA-N 0 3 288.229 2.911 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253094250 383444427 /nfs/dbraw/zinc/44/44/27/383444427.db2.gz NHYWRBQFIFHEIF-GVDBMIGSSA-N 0 3 270.376 2.684 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC#Cc1ccccc1 ZINC000484071562 383454524 /nfs/dbraw/zinc/45/45/24/383454524.db2.gz NRHREECVBRYJPD-FUHWJXTLSA-N 0 3 285.387 2.750 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)CN(C)CCC ZINC000485454141 383464283 /nfs/dbraw/zinc/46/42/83/383464283.db2.gz UYEANQSRGFWKMP-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C[C@H](C#N)CN(CCN(C)Cc1ccccc1)C1CC1 ZINC000450611395 383477650 /nfs/dbraw/zinc/47/76/50/383477650.db2.gz INJJMURXMOEQOY-OAHLLOKOSA-N 0 3 271.408 2.742 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@H]4CCC[C@@H]43)n2c1 ZINC000428463496 383479293 /nfs/dbraw/zinc/47/92/93/383479293.db2.gz VQKMUYXGRWJNNZ-HIFRSBDPSA-N 0 3 266.348 2.580 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2cccc(C)c2)CC1 ZINC000255330098 383479860 /nfs/dbraw/zinc/47/98/60/383479860.db2.gz MSCQHQVFAPNCSH-FPLPWBNLSA-N 0 3 284.403 2.775 20 30 CFEDHN N#Cc1cnn2cc(CN3CCCC4(CCCC4)C3)cnc12 ZINC000568632628 383421363 /nfs/dbraw/zinc/42/13/63/383421363.db2.gz XDUVGYUCJBFPRQ-UHFFFAOYSA-N 0 3 295.390 2.757 20 30 CFEDHN C[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429569572 383548465 /nfs/dbraw/zinc/54/84/65/383548465.db2.gz TZMWQZFKWSMXJR-DOMZBBRYSA-N 0 3 271.364 2.617 20 30 CFEDHN CSCc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000569919482 383549650 /nfs/dbraw/zinc/54/96/50/383549650.db2.gz YQOOAVOCQXOTAM-ZDUSSCGKSA-N 0 3 277.393 2.509 20 30 CFEDHN COCC1=CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488032776 383489250 /nfs/dbraw/zinc/48/92/50/383489250.db2.gz AEUGKZKLOYASAP-UHFFFAOYSA-N 0 3 256.349 2.645 20 30 CFEDHN C=CCCCC(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC000428548115 383490336 /nfs/dbraw/zinc/49/03/36/383490336.db2.gz NLMLNEPGTWWCSI-INIZCTEOSA-N 0 3 288.391 2.548 20 30 CFEDHN CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCC(C)(C)C1 ZINC000569456945 383501638 /nfs/dbraw/zinc/50/16/38/383501638.db2.gz OINMACJIKIDTAE-AWEZNQCLSA-N 0 3 283.379 2.611 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CSC)C1 ZINC000429278553 383508464 /nfs/dbraw/zinc/50/84/64/383508464.db2.gz YGYPPODLHFGOLQ-GJZGRUSLSA-N 0 3 296.480 2.651 20 30 CFEDHN CC[C@@H]1CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000429287851 383510376 /nfs/dbraw/zinc/51/03/76/383510376.db2.gz VTVACEOITNDFCY-MRXNPFEDSA-N 0 3 280.375 2.943 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1CCCC[C@@H]1C ZINC000429829734 383572634 /nfs/dbraw/zinc/57/26/34/383572634.db2.gz OKPNOOFOSAUMAW-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN CC#CCCCC(=O)N(CC)C[C@H]1CCCN1CC ZINC000570146902 383575778 /nfs/dbraw/zinc/57/57/78/383575778.db2.gz AIXXJRHEDLLYBO-OAHLLOKOSA-N 0 3 264.413 2.513 20 30 CFEDHN CCC[C@@H](C)[C@@H](CO)NCc1cccc(C#N)c1F ZINC000570215316 383582864 /nfs/dbraw/zinc/58/28/64/383582864.db2.gz HNFQYHIAWJXUKY-BXUZGUMPSA-N 0 3 264.344 2.584 20 30 CFEDHN COCCC1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000528578522 383583775 /nfs/dbraw/zinc/58/37/75/383583775.db2.gz YVCOTPNINXPOGV-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN N#CCC1(CNCc2cnc3ccc(Cl)cn23)CC1 ZINC000430059312 383587594 /nfs/dbraw/zinc/58/75/94/383587594.db2.gz IQJLMNXVJLXROK-UHFFFAOYSA-N 0 3 274.755 2.771 20 30 CFEDHN Cc1cc(CN(C)CC[C@@H]2CCCO2)ccc1C#N ZINC000488978239 383588161 /nfs/dbraw/zinc/58/81/61/383588161.db2.gz KHRAHIKEFXOQBP-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC1(CC#N)CC1 ZINC000430743634 383597784 /nfs/dbraw/zinc/59/77/84/383597784.db2.gz RZJRYPVLEFOYFC-LBPRGKRZSA-N 0 3 289.354 2.826 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-n2cncn2)cc1 ZINC000430754203 383599904 /nfs/dbraw/zinc/59/99/04/383599904.db2.gz NBFOLERBIQEESM-ZDUSSCGKSA-N 0 3 281.363 2.612 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc2ccccc2n1C ZINC000429719245 383562581 /nfs/dbraw/zinc/56/25/81/383562581.db2.gz GSKARNHWJOLGLY-UHFFFAOYSA-N 0 3 286.423 2.513 20 30 CFEDHN CC1(C)CCCN1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450952474 383566197 /nfs/dbraw/zinc/56/61/97/383566197.db2.gz UCRSSEKWHLGANK-UHFFFAOYSA-N 0 3 288.351 2.753 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000451546485 383641519 /nfs/dbraw/zinc/64/15/19/383641519.db2.gz SEESKVVDCZSQTJ-CZUORRHYSA-N 0 3 288.391 2.814 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)[C@H](C)c2ccccc2)C1=O ZINC000280904007 195021719 /nfs/dbraw/zinc/02/17/19/195021719.db2.gz BSPGZZOMYGXTEL-LZWOXQAQSA-N 0 3 272.392 2.555 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762225 383628837 /nfs/dbraw/zinc/62/88/37/383628837.db2.gz PZLXFTGSZCVSSW-OAHLLOKOSA-N 0 3 299.418 2.617 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(F)cc2C#N)C1(C)C ZINC000451500084 383629810 /nfs/dbraw/zinc/62/98/10/383629810.db2.gz MNPMJOAHWTVBCG-WKPIXPDZSA-N 0 3 276.355 2.846 20 30 CFEDHN N#CC(C(=O)c1cnn(C2CC2)c1)c1nc2ccccc2[nH]1 ZINC000528911350 383675264 /nfs/dbraw/zinc/67/52/64/383675264.db2.gz XSBARCYNDYPHJI-LBPRGKRZSA-N 0 3 291.314 2.584 20 30 CFEDHN C=C1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000264533728 383751081 /nfs/dbraw/zinc/75/10/81/383751081.db2.gz YHRVGLKLGHZHMQ-UHFFFAOYSA-N 0 3 258.365 2.540 20 30 CFEDHN C=CCOc1ccc(CNCc2cccn(CC)c2=O)cc1 ZINC000433171403 383754768 /nfs/dbraw/zinc/75/47/68/383754768.db2.gz BCSJFALWRUPOFQ-UHFFFAOYSA-N 0 3 298.386 2.723 20 30 CFEDHN CC(C)[C@@H]1CN(C(=O)C(C)C#N)CCN1Cc1ccccc1 ZINC000529802260 383755584 /nfs/dbraw/zinc/75/55/84/383755584.db2.gz GALWMBCDPYGQKI-WBVHZDCISA-N 0 3 299.418 2.515 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(Cl)s1 ZINC000435731819 383779293 /nfs/dbraw/zinc/77/92/93/383779293.db2.gz NDPXHNHJXCDVOU-BXKDBHETSA-N 0 3 272.801 2.867 20 30 CFEDHN CC(CN(C)CC(C)(C)C#N)CN(C)CC(C)(C)C#N ZINC000433313173 383760074 /nfs/dbraw/zinc/76/00/74/383760074.db2.gz OYCWHDXWKRQEEL-UHFFFAOYSA-N 0 3 278.444 2.586 20 30 CFEDHN CCN(CCC#N)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000433316579 383760303 /nfs/dbraw/zinc/76/03/03/383760303.db2.gz GIYKKFJKIWITBW-OAHLLOKOSA-N 0 3 277.412 2.546 20 30 CFEDHN CCOC(=O)CCCCCN(C)CC(C)(C)C#N ZINC000433329616 383761981 /nfs/dbraw/zinc/76/19/81/383761981.db2.gz YUQWSLXNLSTMQF-UHFFFAOYSA-N 0 3 254.374 2.591 20 30 CFEDHN CCN(C(=O)/C=C/CN(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000264614597 383762845 /nfs/dbraw/zinc/76/28/45/383762845.db2.gz JGDRFRACWIMYCR-PSKZRQQASA-N 0 3 285.391 2.586 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530021991 383763552 /nfs/dbraw/zinc/76/35/52/383763552.db2.gz GMRPWJUDQMAGKK-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C[C@H](C(=O)N1CCCC(C)(C)[C@@H]1C#N)N1CCCCCC1 ZINC000434030279 383765754 /nfs/dbraw/zinc/76/57/54/383765754.db2.gz HFXAOMPBUWTNAE-CABCVRRESA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000530336979 383770751 /nfs/dbraw/zinc/77/07/51/383770751.db2.gz XKPLXBIBXAXPKQ-CZUORRHYSA-N 0 3 297.402 2.678 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451616473 383668357 /nfs/dbraw/zinc/66/83/57/383668357.db2.gz VVOXGTNYMMMSRF-IRXDYDNUSA-N 0 3 288.366 2.584 20 30 CFEDHN COCCN(Cc1ccc(C#N)cn1)C[C@H]1CC=CCC1 ZINC000571222168 383674034 /nfs/dbraw/zinc/67/40/34/383674034.db2.gz CXFVWDHZMQTLRA-HNNXBMFYSA-N 0 3 285.391 2.758 20 30 CFEDHN CC1CCC(N2CCN(Cc3ccc(C#N)cn3)CC2)CC1 ZINC000571222272 383674611 /nfs/dbraw/zinc/67/46/11/383674611.db2.gz IDAMRIFFFLOKRT-UHFFFAOYSA-N 0 3 298.434 2.650 20 30 CFEDHN C[C@@H](NCC1([S@](C)=O)CCC1)c1cccc(C#N)c1 ZINC000280977820 195054720 /nfs/dbraw/zinc/05/47/20/195054720.db2.gz IWBBFQMIQJOESC-BLVKFPJESA-N 0 3 276.405 2.510 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C12CCC2 ZINC000453141229 383781877 /nfs/dbraw/zinc/78/18/77/383781877.db2.gz BXKBHFRJOWKRMT-CABCVRRESA-N 0 3 274.339 2.745 20 30 CFEDHN CC[C@](C)(COc1ncccc1Cl)NC(=O)C(C)C#N ZINC000435990643 383782124 /nfs/dbraw/zinc/78/21/24/383782124.db2.gz BOSFYAXGMHPNCB-IINYFYTJSA-N 0 3 295.770 2.558 20 30 CFEDHN COC1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000265170770 383852073 /nfs/dbraw/zinc/85/20/73/383852073.db2.gz BKBMHXXYRXGSFQ-UHFFFAOYSA-N 0 3 258.365 2.948 20 30 CFEDHN CC#CCN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646080111 383853538 /nfs/dbraw/zinc/85/35/38/383853538.db2.gz GWJBNXBINOCBCJ-INIZCTEOSA-N 0 3 255.361 2.669 20 30 CFEDHN COCC#CCNC1(c2cccc(Cl)c2)CCC1 ZINC000646095183 383866537 /nfs/dbraw/zinc/86/65/37/383866537.db2.gz IGHGPCJKNOIFSP-UHFFFAOYSA-N 0 3 263.768 2.959 20 30 CFEDHN C=CCCCN1CCN(Cc2csc(C)n2)CC1 ZINC000265482449 383929104 /nfs/dbraw/zinc/92/91/04/383929104.db2.gz SZJWZFLHXGZGSN-UHFFFAOYSA-N 0 3 265.426 2.535 20 30 CFEDHN C#CCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000192152276 533022531 /nfs/dbraw/zinc/02/25/31/533022531.db2.gz MDUYTBYTFYNJSY-UHFFFAOYSA-N 0 3 258.365 2.799 20 30 CFEDHN C=CCCN1CCN(c2nc3ccccc3o2)CC1 ZINC000265767253 383994022 /nfs/dbraw/zinc/99/40/22/383994022.db2.gz IDIQPDLGAYERDV-UHFFFAOYSA-N 0 3 257.337 2.526 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(CCC)Cc1ccccc1 ZINC000265765580 383994249 /nfs/dbraw/zinc/99/42/49/383994249.db2.gz HISZVGPOUDTQGE-AWEZNQCLSA-N 0 3 260.381 2.589 20 30 CFEDHN CC(C)C(=O)NC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000265547624 383943044 /nfs/dbraw/zinc/94/30/44/383943044.db2.gz SGXYRLDTCIVGTC-AWEZNQCLSA-N 0 3 299.418 2.856 20 30 CFEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)c1cccs1 ZINC000265560007 383945071 /nfs/dbraw/zinc/94/50/71/383945071.db2.gz SJYHZXGPUYGIEG-LBPRGKRZSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000532074859 383970343 /nfs/dbraw/zinc/97/03/43/383970343.db2.gz HMJRNGPFDQZSDS-HNNXBMFYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCN1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000265852620 384015910 /nfs/dbraw/zinc/01/59/10/384015910.db2.gz VPPPLKSKLIPYBB-UHFFFAOYSA-N 0 3 278.371 2.528 20 30 CFEDHN C=C(C)CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000266008607 384052023 /nfs/dbraw/zinc/05/20/23/384052023.db2.gz RBNNXMGBVXQONV-UHFFFAOYSA-N 0 3 274.364 2.619 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000438905615 384029943 /nfs/dbraw/zinc/02/99/43/384029943.db2.gz ZWKSTBLBAOEYMM-HUUCEWRRSA-N 0 3 299.418 2.859 20 30 CFEDHN COC1([C@H](C)NCc2cc(C#N)cs2)CCC1 ZINC000414530876 533029536 /nfs/dbraw/zinc/02/95/36/533029536.db2.gz YEDMBJWJADHHKC-JTQLQIEISA-N 0 3 250.367 2.667 20 30 CFEDHN CC[C@@H](CNC(=O)C(C)C#N)Oc1cccc(Cl)c1 ZINC000440638005 384117705 /nfs/dbraw/zinc/11/77/05/384117705.db2.gz IWHOCFMJZCNJPJ-PWSUYJOCSA-N 0 3 280.755 2.773 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000637620684 384137292 /nfs/dbraw/zinc/13/72/92/384137292.db2.gz GREZELIHCWIQHB-CABCVRRESA-N 0 3 293.455 2.714 20 30 CFEDHN C[C@H](CCc1ccc2c(c1)OCO2)NCc1ccc(C#N)o1 ZINC000266247236 384127249 /nfs/dbraw/zinc/12/72/49/384127249.db2.gz ZELIHPPWMIRQJJ-GFCCVEGCSA-N 0 3 298.342 2.991 20 30 CFEDHN Cc1c(C#N)c(NC[C@H]2CCCN(C)C2)nc2ccccc12 ZINC000574876171 384156322 /nfs/dbraw/zinc/15/63/22/384156322.db2.gz WVHJMRJVXLRSRD-CQSZACIVSA-N 0 3 294.402 2.591 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CCCN(CC)CC1 ZINC000637623447 384140398 /nfs/dbraw/zinc/14/03/98/384140398.db2.gz COCQSOXRHCRBEJ-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C#CCN(CC)CCCc1nc(-c2ccccc2)no1 ZINC000266943295 384266081 /nfs/dbraw/zinc/26/60/81/384266081.db2.gz RMGVGHQQXAOLQJ-UHFFFAOYSA-N 0 3 269.348 2.624 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ccc(Cl)c(C#N)n1 ZINC000267170585 384312981 /nfs/dbraw/zinc/31/29/81/384312981.db2.gz BZPSCBHELKREPS-LLVKDONJSA-N 0 3 278.787 2.893 20 30 CFEDHN C[C@H]1COCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000277473189 384313283 /nfs/dbraw/zinc/31/32/83/384313283.db2.gz NNANAKVDYLHGBZ-IINYFYTJSA-N 0 3 264.756 2.726 20 30 CFEDHN C=CCc1cc(CNCc2ccn(C)c2)cc(OC)c1O ZINC000267037013 384283360 /nfs/dbraw/zinc/28/33/60/384283360.db2.gz BZWJOSXIICSRAK-UHFFFAOYSA-N 0 3 286.375 2.758 20 30 CFEDHN CC(C)N1CCC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000267045296 384285069 /nfs/dbraw/zinc/28/50/69/384285069.db2.gz DHFIBJNXAORVDY-CZUORRHYSA-N 0 3 285.391 2.608 20 30 CFEDHN CN(C)[C@]1(CNc2cccc(F)c2C#N)CCSC1 ZINC000267110511 384300419 /nfs/dbraw/zinc/30/04/19/384300419.db2.gz RCNFFLYXEFXYNN-AWEZNQCLSA-N 0 3 279.384 2.547 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H](N)CCC(C)C)c1 ZINC000637949032 384301322 /nfs/dbraw/zinc/30/13/22/384301322.db2.gz UCTSYZLVPPHPIH-OAHLLOKOSA-N 0 3 276.380 2.953 20 30 CFEDHN CC#CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000277551598 384335029 /nfs/dbraw/zinc/33/50/29/384335029.db2.gz WEYDSSYSOALCSB-QGZVFWFLSA-N 0 3 284.403 2.599 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(Br)cc1C ZINC000641768046 384335033 /nfs/dbraw/zinc/33/50/33/384335033.db2.gz VGZWERMWRWMHQB-AWEZNQCLSA-N 0 3 296.208 2.621 20 30 CFEDHN C[C@H]1CN(CCCNc2ccc(F)cc2C#N)CCCO1 ZINC000277653953 384366858 /nfs/dbraw/zinc/36/68/58/384366858.db2.gz OLRDNVBSANGUFB-ZDUSSCGKSA-N 0 3 291.370 2.610 20 30 CFEDHN C=CCC[C@H](CO)NCc1cn(C)nc1C1CCCCC1 ZINC000641759939 384326355 /nfs/dbraw/zinc/32/63/55/384326355.db2.gz KIHLJOXUBDXMNH-MRXNPFEDSA-N 0 3 291.439 2.885 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000641767906 384333957 /nfs/dbraw/zinc/33/39/57/384333957.db2.gz SEFAMJXSVNXORN-CYBMUJFWSA-N 0 3 285.309 2.878 20 30 CFEDHN C=CCCCN(C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000638098549 384415315 /nfs/dbraw/zinc/41/53/15/384415315.db2.gz NVJNAWIPDYXWCY-UHFFFAOYSA-N 0 3 260.337 2.530 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)nc1)c1cccc(F)c1 ZINC000267395917 384379305 /nfs/dbraw/zinc/37/93/05/384379305.db2.gz OIJOBJJFRAOTNT-MRXNPFEDSA-N 0 3 284.338 2.807 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@H](O)CCOCC ZINC000277701411 384380214 /nfs/dbraw/zinc/38/02/14/384380214.db2.gz LYTTZQWUKUQZQQ-KRWDZBQOSA-N 0 3 277.408 2.505 20 30 CFEDHN C=C(C)CN(CC)C(=O)CNc1cccc(CN(C)C)c1 ZINC000642516003 384435861 /nfs/dbraw/zinc/43/58/61/384435861.db2.gz OWVJYXILNCIUQL-UHFFFAOYSA-N 0 3 289.423 2.585 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1C2CCC1CC2 ZINC000642525511 384437173 /nfs/dbraw/zinc/43/71/73/384437173.db2.gz SHHCLLLUKCTUKK-JCYILVPMSA-N 0 3 287.403 2.782 20 30 CFEDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)c[nH]1 ZINC000267792497 384465840 /nfs/dbraw/zinc/46/58/40/384465840.db2.gz GYGZMZAUUAYSAZ-NSHDSACASA-N 0 3 283.331 2.524 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCc1cc(C#N)ccc1F ZINC000267948475 384496358 /nfs/dbraw/zinc/49/63/58/384496358.db2.gz VMBPRPLSIFUEMY-UHFFFAOYSA-N 0 3 292.354 2.909 20 30 CFEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289387023 197324132 /nfs/dbraw/zinc/32/41/32/197324132.db2.gz NCQWTHSGLIUIEV-KBPBESRZSA-N 0 3 258.365 2.632 20 30 CFEDHN C[C@@H](NCCN1CC=CCC1)c1ccc(C#N)c(F)c1 ZINC000281149250 195123639 /nfs/dbraw/zinc/12/36/39/195123639.db2.gz OITPEBANJFTOFM-CYBMUJFWSA-N 0 3 273.355 2.610 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc1 ZINC000289310485 197292821 /nfs/dbraw/zinc/29/28/21/197292821.db2.gz JCRWFMPSEQELHL-SFHVURJKSA-N 0 3 298.430 2.652 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279186954 384608201 /nfs/dbraw/zinc/60/82/01/384608201.db2.gz VZPHRRAACDQXML-XHDPSFHLSA-N 0 3 290.363 2.844 20 30 CFEDHN C=CCC1(NC(=O)[C@H](N)CCC(C)C)CCCC1 ZINC000638421414 384640743 /nfs/dbraw/zinc/64/07/43/384640743.db2.gz VGABWWUHNPEURI-CYBMUJFWSA-N 0 3 252.402 2.755 20 30 CFEDHN C=CCN1CCC(NCc2nc3ccccc3o2)CC1 ZINC000638524684 384722414 /nfs/dbraw/zinc/72/24/14/384722414.db2.gz RBGLJVBWTDBFPJ-UHFFFAOYSA-N 0 3 271.364 2.568 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC000270034276 384950385 /nfs/dbraw/zinc/95/03/85/384950385.db2.gz BJMMRNKYYJTUBV-HZPDHXFCSA-N 0 3 270.376 2.996 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@@](C)(O)CC1 ZINC000280166082 384910921 /nfs/dbraw/zinc/91/09/21/384910921.db2.gz SGVZIVBLBGYGTP-CZUORRHYSA-N 0 3 258.365 2.856 20 30 CFEDHN COc1cc2c(cc1OC)[C@@H](NCCCC#N)CC2 ZINC000280200890 384926156 /nfs/dbraw/zinc/92/61/56/384926156.db2.gz SUFNLCPJOSYOSG-ZDUSSCGKSA-N 0 3 260.337 2.584 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000280561844 385061239 /nfs/dbraw/zinc/06/12/39/385061239.db2.gz FXFRPKVVOAZFRO-PBHICJAKSA-N 0 3 291.391 2.862 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000280581859 385069180 /nfs/dbraw/zinc/06/91/80/385069180.db2.gz HPQHAOARLSVARF-UKRRQHHQSA-N 0 3 276.336 2.666 20 30 CFEDHN CN1CC[C@H](Nc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000270284694 385041270 /nfs/dbraw/zinc/04/12/70/385041270.db2.gz MYEGORISFKNCMK-DOTOQJQBSA-N 0 3 278.359 2.811 20 30 CFEDHN C=C[C@H](CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000270387399 385083497 /nfs/dbraw/zinc/08/34/97/385083497.db2.gz RMJJJRBDMNDQMO-HDMKZQKVSA-N 0 3 298.430 2.945 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1cscn1 ZINC000280706405 385120396 /nfs/dbraw/zinc/12/03/96/385120396.db2.gz CXANNTOOTJGRND-LOWVWBTDSA-N 0 3 252.383 2.775 20 30 CFEDHN C=C(C)[C@@H](N[C@H]1CCCNC(=O)C1)c1ccc(F)c(F)c1 ZINC000639058955 385138598 /nfs/dbraw/zinc/13/85/98/385138598.db2.gz WDZAXIURHPTULA-BLLLJJGKSA-N 0 3 294.345 2.840 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nccn1-c1ccccc1 ZINC000280615373 385085591 /nfs/dbraw/zinc/08/55/91/385085591.db2.gz KMRHNSMXFCQWPN-CRAIPNDOSA-N 0 3 297.402 2.943 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000347063803 533108206 /nfs/dbraw/zinc/10/82/06/533108206.db2.gz HPEMAPUCMKDSMA-ZDUSSCGKSA-N 0 3 296.374 2.627 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000347129521 533108690 /nfs/dbraw/zinc/10/86/90/533108690.db2.gz VOGPWRHSKWUDKY-NSHDSACASA-N 0 3 260.312 2.724 20 30 CFEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c(C#N)c1C ZINC000282135223 385223144 /nfs/dbraw/zinc/22/31/44/385223144.db2.gz RPVMNEGGWMCNRI-NURSFMCSSA-N 0 3 289.379 2.873 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@H](CC)c2ccccc2)C1=O ZINC000282145867 385226813 /nfs/dbraw/zinc/22/68/13/385226813.db2.gz ZYKQZQOYTXJDMA-HZPDHXFCSA-N 0 3 272.392 2.856 20 30 CFEDHN CCC1(CO)CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282194049 385243944 /nfs/dbraw/zinc/24/39/44/385243944.db2.gz GKYIBNANSNMREC-UHFFFAOYSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000645212947 385247915 /nfs/dbraw/zinc/24/79/15/385247915.db2.gz WAJPKMYFSRHBKO-IIAWOOMASA-N 0 3 291.439 2.515 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1OC ZINC000271058540 385322329 /nfs/dbraw/zinc/32/23/29/385322329.db2.gz RWYWSHSCJNWLMI-CVEARBPZSA-N 0 3 288.391 2.692 20 30 CFEDHN Cn1ccnc1CNC1CCC(C#N)(c2ccccc2)CC1 ZINC000271090280 385333958 /nfs/dbraw/zinc/33/39/58/385333958.db2.gz VUYIRJPGLUYMMU-UHFFFAOYSA-N 0 3 294.402 2.914 20 30 CFEDHN CC(C#N)C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000347092604 533114393 /nfs/dbraw/zinc/11/43/93/533114393.db2.gz AIQINGOGPPVQFS-LBPRGKRZSA-N 0 3 274.364 2.639 20 30 CFEDHN CCC(CC)(CCO)NCc1ccc(C#N)cc1OC ZINC000282544106 385338208 /nfs/dbraw/zinc/33/82/08/385338208.db2.gz WHEUEQFGMMNYIW-UHFFFAOYSA-N 0 3 276.380 2.598 20 30 CFEDHN N#Cc1c(Cl)nsc1N[C@H]1CCN2CCCC[C@H]12 ZINC000271313255 385380635 /nfs/dbraw/zinc/38/06/35/385380635.db2.gz NBYZZHWBOSNLMN-VHSXEESVSA-N 0 3 282.800 2.707 20 30 CFEDHN C#CCCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000271068385 385327820 /nfs/dbraw/zinc/32/78/20/385327820.db2.gz VBLWROIFRZEBIT-ACJLOTCBSA-N 0 3 263.406 2.830 20 30 CFEDHN CC[C@H](C)[C@H](O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271951074 385408970 /nfs/dbraw/zinc/40/89/70/385408970.db2.gz OQSDILZAENXVME-FIXISWKDSA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000347116863 533117434 /nfs/dbraw/zinc/11/74/34/533117434.db2.gz SPBFROCVAVCBSG-JQWIXIFHSA-N 0 3 271.345 2.508 20 30 CFEDHN C#CCOc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282984483 385421089 /nfs/dbraw/zinc/42/10/89/385421089.db2.gz MHUJTZFEVZFUSV-QGZVFWFLSA-N 0 3 295.386 2.599 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272195767 385471550 /nfs/dbraw/zinc/47/15/50/385471550.db2.gz OKKNJUHAMWPSPR-AWEZNQCLSA-N 0 3 299.418 2.669 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2c3c(nn2C)CCCC3)C1 ZINC000639348464 385471927 /nfs/dbraw/zinc/47/19/27/385471927.db2.gz PZQLIOCFAZNSCU-CYBMUJFWSA-N 0 3 259.397 2.697 20 30 CFEDHN CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1O ZINC000272301248 385504173 /nfs/dbraw/zinc/50/41/73/385504173.db2.gz GZXCZWXESLGBBC-JKSUJKDBSA-N 0 3 272.392 2.787 20 30 CFEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OC(C)C ZINC000347082116 533127933 /nfs/dbraw/zinc/12/79/33/533127933.db2.gz YARDLPNOAQUNGB-NEPJUHHUSA-N 0 3 290.363 2.819 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC000272585331 385568548 /nfs/dbraw/zinc/56/85/48/385568548.db2.gz SJLMSMDXGGFXGQ-BBRMVZONSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286351082 385596355 /nfs/dbraw/zinc/59/63/55/385596355.db2.gz YTESEQLCGNLEHE-LLVKDONJSA-N 0 3 292.404 2.587 20 30 CFEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C#N)cc1 ZINC000286374470 385601440 /nfs/dbraw/zinc/60/14/40/385601440.db2.gz XVMUYXXYHLEFSI-UHFFFAOYSA-N 0 3 299.418 2.896 20 30 CFEDHN C#CCCCN1CCC[C@H](Oc2ccccc2OC)C1 ZINC000286259683 385579312 /nfs/dbraw/zinc/57/93/12/385579312.db2.gz BAHPNYGNRAMDPD-HNNXBMFYSA-N 0 3 273.376 2.952 20 30 CFEDHN C=CCC[C@@H](N[C@@H]1CCN(CCOC)C1)c1ccco1 ZINC000286303771 385585386 /nfs/dbraw/zinc/58/53/86/385585386.db2.gz WVRGSUFDXURRAS-HUUCEWRRSA-N 0 3 278.396 2.597 20 30 CFEDHN CN(CCCN(C)c1ccc(C#N)cn1)Cc1ccco1 ZINC000286561424 385650265 /nfs/dbraw/zinc/65/02/65/385650265.db2.gz PNOVOPYVWUQERH-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN N#Cc1ccc(CN2CCC(CCCO)CC2)cc1 ZINC000272940755 385660431 /nfs/dbraw/zinc/66/04/31/385660431.db2.gz LEKZOIWQCAITDE-UHFFFAOYSA-N 0 3 258.365 2.543 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc(C#N)cc1F ZINC000286693071 385687109 /nfs/dbraw/zinc/68/71/09/385687109.db2.gz VYYSKVYGBXRMRL-IUKJFTNHSA-N 0 3 286.350 2.553 20 30 CFEDHN N#Cc1ncccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274006904 385698128 /nfs/dbraw/zinc/69/81/28/385698128.db2.gz KIOLRWVMYHSDIL-OAHLLOKOSA-N 0 3 278.359 2.640 20 30 CFEDHN CN(C)[C@@H](CNc1cccnc1C#N)c1ccccc1 ZINC000274021722 385700897 /nfs/dbraw/zinc/70/08/97/385700897.db2.gz LQHMWEVMPWJYFF-INIZCTEOSA-N 0 3 266.348 2.668 20 30 CFEDHN C[C@H](Nc1nc(Cl)c(C#N)s1)C1=CCN(C)CC1 ZINC000286781500 385708998 /nfs/dbraw/zinc/70/89/98/385708998.db2.gz IZOGVQRMIQDVEF-QMMMGPOBSA-N 0 3 282.800 2.730 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000274295737 385759772 /nfs/dbraw/zinc/75/97/72/385759772.db2.gz QNXSAXBZBABZPX-RDJZCZTQSA-N 0 3 286.419 2.979 20 30 CFEDHN N#Cc1ccccc1N1CCCN(CCOC2CCC2)CC1 ZINC000287213562 385804237 /nfs/dbraw/zinc/80/42/37/385804237.db2.gz ISIZTYCAXXNXRK-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(CCF)CC1 ZINC000639987691 385808024 /nfs/dbraw/zinc/80/80/24/385808024.db2.gz NDMGDPZYCYTRTL-CQSZACIVSA-N 0 3 284.419 2.871 20 30 CFEDHN C=CCN1CCC(NC(=O)/C(C)=C/C(C)(C)C)CC1 ZINC000274566639 385824905 /nfs/dbraw/zinc/82/49/05/385824905.db2.gz CXDGYDNMJWYFHF-OUKQBFOZSA-N 0 3 264.413 2.745 20 30 CFEDHN C/C=C/C[C@@H](CO)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000274660599 385843164 /nfs/dbraw/zinc/84/31/64/385843164.db2.gz VMIRUKYYYHYEQE-DWKGUQLISA-N 0 3 262.328 2.675 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)c1 ZINC000274930563 385899307 /nfs/dbraw/zinc/89/93/07/385899307.db2.gz OEVUCMZHFXINTD-BRWVUGGUSA-N 0 3 291.391 2.533 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)cc1F)C(C)(C)O ZINC000276638082 386000136 /nfs/dbraw/zinc/00/01/36/386000136.db2.gz QEYCEYVLVRJBMS-AWEZNQCLSA-N 0 3 264.344 2.582 20 30 CFEDHN CCOC1CC(CCNCc2ccc(C#N)cc2F)C1 ZINC000276798063 386047511 /nfs/dbraw/zinc/04/75/11/386047511.db2.gz YRQHVKTWNNDIKC-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN C#CC[C@H](NC[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1 ZINC000276908229 386076649 /nfs/dbraw/zinc/07/66/49/386076649.db2.gz FJFMNUJKYXKJRO-CVEARBPZSA-N 0 3 283.371 2.826 20 30 CFEDHN C=C(C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000288283635 197043377 /nfs/dbraw/zinc/04/33/77/197043377.db2.gz XCWMKBFSNXMSEM-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000681046629 542403951 /nfs/dbraw/zinc/40/39/51/542403951.db2.gz CPGPILQDKQXWHW-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc2ncsc2c1 ZINC000681598816 542467358 /nfs/dbraw/zinc/46/73/58/542467358.db2.gz ZDMLSPQVXFLGLM-ZWNOBZJWSA-N 0 3 262.378 2.884 20 30 CFEDHN OCC[C@@H]1CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000279153568 285263780 /nfs/dbraw/zinc/26/37/80/285263780.db2.gz AQWWKHORTQRMAP-HOCLYGCPSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CCC[C@@H](NCCC1(O)CCOCC1)c1ccco1 ZINC000287462111 196861795 /nfs/dbraw/zinc/86/17/95/196861795.db2.gz LYIUOHDWEXGSEN-CQSZACIVSA-N 0 3 279.380 2.808 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1ccc2ccccc2n1 ZINC000186710009 260008449 /nfs/dbraw/zinc/00/84/49/260008449.db2.gz GWRDIXVLJIIRSJ-TZMCWYRMSA-N 0 3 256.349 2.822 20 30 CFEDHN CC[C@@H](CC#N)NC[C@H]1CCN1Cc1ccccc1 ZINC000716211271 781980610 /nfs/dbraw/zinc/98/06/10/781980610.db2.gz XGBGMWKDRLHGGU-JKSUJKDBSA-N 0 3 257.381 2.543 20 30 CFEDHN C=CCNC(=O)CN(C)C1CCC(C(C)(C)C)CC1 ZINC000519968981 260035427 /nfs/dbraw/zinc/03/54/27/260035427.db2.gz BJBFGRKDEYIEJN-UHFFFAOYSA-N 0 3 266.429 2.825 20 30 CFEDHN CCCC[C@H](COC)NCc1ccc(C#N)c(OC)c1 ZINC000281698854 195342513 /nfs/dbraw/zinc/34/25/13/195342513.db2.gz NQXWOTNPXXDSFP-OAHLLOKOSA-N 0 3 276.380 2.862 20 30 CFEDHN COc1cc(CNCc2cccc(N(C)C)c2)ccc1C#N ZINC000281793518 195383951 /nfs/dbraw/zinc/38/39/51/195383951.db2.gz USMLPMVCMJGAKG-UHFFFAOYSA-N 0 3 295.386 2.923 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(C(=O)C(C)C#N)[C@@H]2C ZINC000332679755 533272993 /nfs/dbraw/zinc/27/29/93/533272993.db2.gz LVOHPXJWAXZRHP-SDDRHHMPSA-N 0 3 272.348 2.689 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCC(=O)NC2CCCC2)C1(C)C ZINC000329185246 533375193 /nfs/dbraw/zinc/37/51/93/533375193.db2.gz QBLFPCVZBRAHAU-IUODEOHRSA-N 0 3 268.401 2.679 20 30 CFEDHN CO[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000353884837 533417876 /nfs/dbraw/zinc/41/78/76/533417876.db2.gz YEWKPWLOVFBIQW-MRXNPFEDSA-N 0 3 274.364 2.590 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000268672279 533504862 /nfs/dbraw/zinc/50/48/62/533504862.db2.gz UNXIRNPOZAVSTH-AWEZNQCLSA-N 0 3 288.391 2.806 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCCCC[C@@H]1CCO ZINC000342057295 130227033 /nfs/dbraw/zinc/22/70/33/130227033.db2.gz IMKVMGYOAGPVBF-MRXNPFEDSA-N 0 3 288.391 2.694 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCSc2ccc(OC)cc21 ZINC000191548226 130252888 /nfs/dbraw/zinc/25/28/88/130252888.db2.gz HVNVLGOBZDWWDS-FZMZJTMJSA-N 0 3 279.405 2.759 20 30 CFEDHN N#Cc1ccc(CN2CCCCC[C@H]2CCO)cc1F ZINC000342041786 130254187 /nfs/dbraw/zinc/25/41/87/130254187.db2.gz XTRHCNODOOFPPE-HNNXBMFYSA-N 0 3 276.355 2.824 20 30 CFEDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cc(C#N)n(C)c1 ZINC000191616728 130263421 /nfs/dbraw/zinc/26/34/21/130263421.db2.gz NOMBJDWMELOOFW-HZPDHXFCSA-N 0 3 275.396 2.580 20 30 CFEDHN C(#Cc1ccccc1)CN(C[C@@H]1CCOC1)C1CC1 ZINC000191937873 130332853 /nfs/dbraw/zinc/33/28/53/130332853.db2.gz RJMBNIGMVNLEQY-INIZCTEOSA-N 0 3 255.361 2.539 20 30 CFEDHN C[C@@H]1C[C@H](C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000342143168 130334222 /nfs/dbraw/zinc/33/42/22/130334222.db2.gz YCJFDVUFEXILLI-VBQJREDUSA-N 0 3 297.402 2.641 20 30 CFEDHN CC(C)(C)CC[C@H](CO)NCc1cc(C#N)cs1 ZINC000355724339 130343302 /nfs/dbraw/zinc/34/33/02/130343302.db2.gz DZHXVFIFSYTVHL-GFCCVEGCSA-N 0 3 266.410 2.897 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000191983221 130343534 /nfs/dbraw/zinc/34/35/34/130343534.db2.gz YPUSMGLFRRMRBZ-INIZCTEOSA-N 0 3 272.392 2.517 20 30 CFEDHN C#CCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192093879 130368700 /nfs/dbraw/zinc/36/87/00/130368700.db2.gz NVWJRGCTCXVKSH-OLZOCXBDSA-N 0 3 253.704 2.532 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2ccnc(CC)n2)C1 ZINC000370504695 260066490 /nfs/dbraw/zinc/06/64/90/260066490.db2.gz LAJORNPQUQJWBG-HUUCEWRRSA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000263763014 131324776 /nfs/dbraw/zinc/32/47/76/131324776.db2.gz RLARKFMURLJJGP-KRWDZBQOSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000266378759 131725268 /nfs/dbraw/zinc/72/52/68/131725268.db2.gz MRCOGLGQBNNCOC-UHFFFAOYSA-N 0 3 275.352 2.966 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000268445801 132010344 /nfs/dbraw/zinc/01/03/44/132010344.db2.gz HGBSPHRSRGPGPQ-IAMHBRQHSA-N 0 3 295.448 2.744 20 30 CFEDHN C=CCC[C@@H](O)CN(C)C[C@H]1OCCc2ccccc21 ZINC000268570788 132029006 /nfs/dbraw/zinc/02/90/06/132029006.db2.gz RBMULPBOJPNJCW-NVXWUHKLSA-N 0 3 275.392 2.559 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(c2noc(C(C)C)n2)CC1 ZINC000268578804 132030212 /nfs/dbraw/zinc/03/02/12/132030212.db2.gz SNVYADKVTNMXLT-AWEZNQCLSA-N 0 3 293.411 2.700 20 30 CFEDHN C=C(CN[C@@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC000268785394 132065802 /nfs/dbraw/zinc/06/58/02/132065802.db2.gz ABGWRSYYWJMCLF-HNNXBMFYSA-N 0 3 274.408 2.936 20 30 CFEDHN C=C(CN[C@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC000268785395 132065898 /nfs/dbraw/zinc/06/58/98/132065898.db2.gz ABGWRSYYWJMCLF-OAHLLOKOSA-N 0 3 274.408 2.936 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCCn2ccnc2C)cc1 ZINC000268790514 132066457 /nfs/dbraw/zinc/06/64/57/132066457.db2.gz GIGCFQJCSGKYKH-CQSZACIVSA-N 0 3 283.375 2.554 20 30 CFEDHN COCC#CCN1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000683799524 542725913 /nfs/dbraw/zinc/72/59/13/542725913.db2.gz CDFKKQUMARYPIK-WBVHZDCISA-N 0 3 257.377 2.823 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H]1COc2ccccc2O1 ZINC000683793204 542726471 /nfs/dbraw/zinc/72/64/71/542726471.db2.gz UHSDZYBNBLXNAY-KBPBESRZSA-N 0 3 259.349 2.867 20 30 CFEDHN C#CCN(CC1=CCCOC1)[C@H]1CCc2ccccc21 ZINC000179203436 393456528 /nfs/dbraw/zinc/45/65/28/393456528.db2.gz FGDQHGPVGRRHPS-SFHVURJKSA-N 0 3 267.372 2.956 20 30 CFEDHN C[C@H]1CN(Cc2ccc(N(C)CCC#N)cc2)CCCO1 ZINC000179399495 393466236 /nfs/dbraw/zinc/46/62/36/393466236.db2.gz KQFNOUDXUODEIQ-HNNXBMFYSA-N 0 3 287.407 2.647 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccsc3)C[C@@H]2C)C1=O ZINC000374162180 393486121 /nfs/dbraw/zinc/48/61/21/393486121.db2.gz NKUSQMRPRJLVKN-CFVMTHIKSA-N 0 3 290.432 2.713 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCC(C)(C)CC1 ZINC000303848926 393496974 /nfs/dbraw/zinc/49/69/74/393496974.db2.gz DCSMEBLVXNNXTN-UHFFFAOYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](C)[C@@H](C)c1ccccc1 ZINC000181542529 393498044 /nfs/dbraw/zinc/49/80/44/393498044.db2.gz MIJFJCZLKWHXPS-CVEARBPZSA-N 0 3 286.419 2.969 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1ccc(OC)cc1OC ZINC000684204825 542775964 /nfs/dbraw/zinc/77/59/64/542775964.db2.gz GOPAZPIRKHTHDN-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182799103 393513767 /nfs/dbraw/zinc/51/37/67/393513767.db2.gz YWWLAMAAAHKFKU-QGZVFWFLSA-N 0 3 297.402 2.952 20 30 CFEDHN C#CCCOc1ccc(CNCCOC(C)C)cc1 ZINC000184152725 393524995 /nfs/dbraw/zinc/52/49/95/393524995.db2.gz DYZDCUXONIZFNC-UHFFFAOYSA-N 0 3 261.365 2.603 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000320429750 393528292 /nfs/dbraw/zinc/52/82/92/393528292.db2.gz URJLAADNYKUWBS-LBPRGKRZSA-N 0 3 297.782 2.528 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)NC[C@H]2CCCCN2CC)CC(=O)N1 ZINC000329470942 393537254 /nfs/dbraw/zinc/53/72/54/393537254.db2.gz YPAHTIIBIYWVJH-BFHYXJOUSA-N 0 3 295.427 2.962 20 30 CFEDHN C=CCSCCNCc1nn(C)c2ccccc12 ZINC000222055414 413066364 /nfs/dbraw/zinc/06/63/64/413066364.db2.gz SGIQIKFXPIJWCM-UHFFFAOYSA-N 0 3 261.394 2.582 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000331574271 393556568 /nfs/dbraw/zinc/55/65/68/393556568.db2.gz SCTUZYDATDNLIM-HZSPNIEDSA-N 0 3 276.380 2.677 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000332254994 393561933 /nfs/dbraw/zinc/56/19/33/393561933.db2.gz CTOPXDXUGNVPNZ-DOMZBBRYSA-N 0 3 281.363 2.617 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000332254994 393561936 /nfs/dbraw/zinc/56/19/36/393561936.db2.gz CTOPXDXUGNVPNZ-DOMZBBRYSA-N 0 3 281.363 2.617 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334522462 393605355 /nfs/dbraw/zinc/60/53/55/393605355.db2.gz HAPHZVJBRLBUKO-NXEZZACHSA-N 0 3 274.286 2.727 20 30 CFEDHN CC(C)CN1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000048936227 393611588 /nfs/dbraw/zinc/61/15/88/393611588.db2.gz RKZGOQLAEPXDNP-UHFFFAOYSA-N 0 3 277.799 2.990 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1O ZINC000192800695 393633067 /nfs/dbraw/zinc/63/30/67/393633067.db2.gz XUAJGDYJGNNRKQ-YPMHNXCESA-N 0 3 260.337 2.573 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1ccccc1Cl ZINC000192922009 393637962 /nfs/dbraw/zinc/63/79/62/393637962.db2.gz YFCNOTPLWAWLSE-ZDUSSCGKSA-N 0 3 283.799 2.978 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000335116602 393643852 /nfs/dbraw/zinc/64/38/52/393643852.db2.gz LOFXBQXCLNVOBO-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000335157605 393647609 /nfs/dbraw/zinc/64/76/09/393647609.db2.gz VLKQOILRUWLXJR-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC(C)(C)C[C@@H]1C ZINC000412039429 393761369 /nfs/dbraw/zinc/76/13/69/393761369.db2.gz JPUXALASMOBYOI-KBPBESRZSA-N 0 3 264.413 2.696 20 30 CFEDHN C=CCN(CCOC)CCC1(C#N)CCCCC1 ZINC000411628819 393732364 /nfs/dbraw/zinc/73/23/64/393732364.db2.gz YPQQCBMDKAXCKK-UHFFFAOYSA-N 0 3 250.386 2.985 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ncc(C)c(OC)c1C ZINC000411645734 393734049 /nfs/dbraw/zinc/73/40/49/393734049.db2.gz UHWAGUSJGRENPZ-UHFFFAOYSA-N 0 3 291.439 2.647 20 30 CFEDHN CC#CCN(C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411775643 393746830 /nfs/dbraw/zinc/74/68/30/393746830.db2.gz YIDKQRGMLLUVHI-QGZVFWFLSA-N 0 3 284.403 2.525 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CC[C@@H](C#N)C1 ZINC000411894474 393756931 /nfs/dbraw/zinc/75/69/31/393756931.db2.gz QMRWBFQUKYJNTB-CUBALJKWSA-N 0 3 256.349 2.581 20 30 CFEDHN CC(C)(C#N)CCN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411924741 393758578 /nfs/dbraw/zinc/75/85/78/393758578.db2.gz MNXDVTJEBCFTPQ-LSDHHAIUSA-N 0 3 258.365 2.734 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000335725414 393693120 /nfs/dbraw/zinc/69/31/20/393693120.db2.gz AFJHTANOBIYEIR-SWLSCSKDSA-N 0 3 271.364 2.576 20 30 CFEDHN COc1cccc([C@@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000335724340 393693740 /nfs/dbraw/zinc/69/37/40/393693740.db2.gz CZWNMIQZDPTIKC-RISCZKNCSA-N 0 3 258.321 2.518 20 30 CFEDHN C=CCNC(=O)CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411990780 393759799 /nfs/dbraw/zinc/75/97/99/393759799.db2.gz SVLURWDEBDOATI-MRXNPFEDSA-N 0 3 284.403 2.558 20 30 CFEDHN CC(C#N)C(=O)N1CCCc2c([nH]c3c2cccc3F)C1 ZINC000336274750 393726659 /nfs/dbraw/zinc/72/66/59/393726659.db2.gz VFNQMUWARONIKA-JTQLQIEISA-N 0 3 285.322 2.741 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412904545 393776071 /nfs/dbraw/zinc/77/60/71/393776071.db2.gz XAJNCMWMZYIOMJ-STQMWFEESA-N 0 3 294.395 2.507 20 30 CFEDHN N#CCN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000413236979 393780391 /nfs/dbraw/zinc/78/03/91/393780391.db2.gz GYJIONYWGGJPTJ-UHFFFAOYSA-N 0 3 297.402 2.801 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)C(C#N)CCc2ccccc2)CS1 ZINC000413963465 393792220 /nfs/dbraw/zinc/79/22/20/393792220.db2.gz UONLYVVKZCFTPR-BPLDGKMQSA-N 0 3 288.416 2.769 20 30 CFEDHN COCC[C@H](C)CNC(=O)C(C#N)CCc1ccccc1 ZINC000413885568 393792368 /nfs/dbraw/zinc/79/23/68/393792368.db2.gz ZXGOTNLIUWIBNE-GOEBONIOSA-N 0 3 288.391 2.548 20 30 CFEDHN C=CCOCCN(CCC)C[C@H]1COc2ccccc2O1 ZINC000338900259 393803742 /nfs/dbraw/zinc/80/37/42/393803742.db2.gz FKSOHEBEWNIZPE-HNNXBMFYSA-N 0 3 291.391 2.741 20 30 CFEDHN C=CCOCCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000338962698 393807311 /nfs/dbraw/zinc/80/73/11/393807311.db2.gz PQTZZIOMMIEYEK-AWEZNQCLSA-N 0 3 275.348 2.755 20 30 CFEDHN CCCCOC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339009581 393810424 /nfs/dbraw/zinc/81/04/24/393810424.db2.gz LUGNNVWRSVCJGH-UONOGXRCSA-N 0 3 250.386 2.960 20 30 CFEDHN C=CCOCCN(CCc1ccccc1)[C@H]1CCOC1 ZINC000339016864 393811312 /nfs/dbraw/zinc/81/13/12/393811312.db2.gz ZSJFGRBPQKHOQO-KRWDZBQOSA-N 0 3 275.392 2.523 20 30 CFEDHN CCOc1ccc([C@@H](C)NCCOCCC#N)cc1OC ZINC000339068787 393815373 /nfs/dbraw/zinc/81/53/73/393815373.db2.gz QDJFTZCNARHFSC-CYBMUJFWSA-N 0 3 292.379 2.675 20 30 CFEDHN CO[C@H](c1ccccc1Cl)[C@@H](C)NCCOCCC#N ZINC000339077957 393816786 /nfs/dbraw/zinc/81/67/86/393816786.db2.gz BCVCTHRDWCFAKQ-DOMZBBRYSA-N 0 3 296.798 2.936 20 30 CFEDHN CO[C@H](c1ccccc1Cl)[C@H](C)NCCOCCC#N ZINC000339077960 393816821 /nfs/dbraw/zinc/81/68/21/393816821.db2.gz BCVCTHRDWCFAKQ-WFASDCNBSA-N 0 3 296.798 2.936 20 30 CFEDHN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCCOCCC#N ZINC000339077958 393816826 /nfs/dbraw/zinc/81/68/26/393816826.db2.gz BCVCTHRDWCFAKQ-IUODEOHRSA-N 0 3 296.798 2.936 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000342865860 393872225 /nfs/dbraw/zinc/87/22/25/393872225.db2.gz HXBQCQLYTXKTRI-MRXNPFEDSA-N 0 3 296.455 2.550 20 30 CFEDHN CC(C)(C)OC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345709943 393914352 /nfs/dbraw/zinc/91/43/52/393914352.db2.gz KRGQNKUCLLUWES-UHFFFAOYSA-N 0 3 280.412 2.980 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000342216151 393862056 /nfs/dbraw/zinc/86/20/56/393862056.db2.gz CGJAQFCJTBWCJD-HNNXBMFYSA-N 0 3 294.402 2.616 20 30 CFEDHN COCC#CCN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000684620260 542838389 /nfs/dbraw/zinc/83/83/89/542838389.db2.gz CLOPNPGKGXIETL-UHFFFAOYSA-N 0 3 297.402 2.631 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1nc2c(s1)CCC2 ZINC000684767373 542851327 /nfs/dbraw/zinc/85/13/27/542851327.db2.gz GSOZIAHZRFANJZ-NHYWBVRUSA-N 0 3 278.421 2.703 20 30 CFEDHN CCOC(=O)c1c(NC(=O)C(C)C#N)sc(C)c1CC ZINC000346187374 393922956 /nfs/dbraw/zinc/92/29/56/393922956.db2.gz RRMWHJOQRDALRC-QMMMGPOBSA-N 0 3 294.376 2.894 20 30 CFEDHN C=C(C)CN(CC)Cc1cn(-c2ccncc2)nc1C ZINC000346172250 393923001 /nfs/dbraw/zinc/92/30/01/393923001.db2.gz LGTUSQHBSDWCAV-UHFFFAOYSA-N 0 3 270.380 2.974 20 30 CFEDHN CC(C#N)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000346257954 393924415 /nfs/dbraw/zinc/92/44/15/393924415.db2.gz HLOHDDUUXPSKAG-SECBINFHSA-N 0 3 275.739 2.640 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000416676782 393939277 /nfs/dbraw/zinc/93/92/77/393939277.db2.gz DADRCFJOKCBVHD-CABCVRRESA-N 0 3 293.455 2.761 20 30 CFEDHN CC#CCN(CCCOC)CCc1ccc(OC)cc1 ZINC000121042679 393946878 /nfs/dbraw/zinc/94/68/78/393946878.db2.gz RHOXZWCHHIGZRP-UHFFFAOYSA-N 0 3 275.392 2.600 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000121103831 393947772 /nfs/dbraw/zinc/94/77/72/393947772.db2.gz DVSQXJXWNFGUKC-CYBMUJFWSA-N 0 3 278.371 2.901 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346195582 393922717 /nfs/dbraw/zinc/92/27/17/393922717.db2.gz QEVPERGCLBSKGB-BFYDXBDKSA-N 0 3 290.451 2.944 20 30 CFEDHN CC[C@@H](C)N[C@H](CNc1ccc(C#N)c(C)n1)c1ccco1 ZINC000487716732 394020419 /nfs/dbraw/zinc/02/04/19/394020419.db2.gz GIFDYHJQMUQPRJ-IUODEOHRSA-N 0 3 298.390 2.818 20 30 CFEDHN C=CCN(C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000121422629 393955278 /nfs/dbraw/zinc/95/52/78/393955278.db2.gz MUXWEDNCVFGJNO-NVXWUHKLSA-N 0 3 275.392 2.559 20 30 CFEDHN C=CCc1cc(CN(C)[C@@H]2CCCOC2)cc(OC)c1O ZINC000348737419 393957511 /nfs/dbraw/zinc/95/75/11/393957511.db2.gz CLSBXLXFZACJQM-OAHLLOKOSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCOc1cccc(CNCC[C@H](O)C(F)(F)F)c1 ZINC000349295927 393966609 /nfs/dbraw/zinc/96/66/09/393966609.db2.gz LANAOCAXODTYLS-ZDUSSCGKSA-N 0 3 289.297 2.654 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349591776 393971371 /nfs/dbraw/zinc/97/13/71/393971371.db2.gz VHEPOPIJRSYKFA-DFBGVHRSSA-N 0 3 290.338 2.664 20 30 CFEDHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000123166259 393976875 /nfs/dbraw/zinc/97/68/75/393976875.db2.gz DESNOMYBBANNCE-AWEZNQCLSA-N 0 3 285.391 2.680 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC(C)=C[C@H](C)C1 ZINC000430280384 393978612 /nfs/dbraw/zinc/97/86/12/393978612.db2.gz AESITISKXQZWHY-ZDUSSCGKSA-N 0 3 286.375 2.844 20 30 CFEDHN Cc1cc(CN(CCO)Cc2ccccc2)ccc1C#N ZINC000487863573 394026355 /nfs/dbraw/zinc/02/63/55/394026355.db2.gz WNNKQLSSOGMCIN-UHFFFAOYSA-N 0 3 280.371 2.861 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc([S@](C)=O)cc1 ZINC000430753168 394006558 /nfs/dbraw/zinc/00/65/58/394006558.db2.gz JJTWNFFUJFOTPW-BUXKBTBVSA-N 0 3 276.405 2.768 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000355283493 394062075 /nfs/dbraw/zinc/06/20/75/394062075.db2.gz SWHZTNUTXBWGGE-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(CC[C@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000437687001 394068492 /nfs/dbraw/zinc/06/84/92/394068492.db2.gz LTYCWEGAUKMNDJ-HNNXBMFYSA-N 0 3 270.376 2.973 20 30 CFEDHN CN(C)c1ccncc1CNc1cccc(C#N)c1 ZINC000130153096 394103539 /nfs/dbraw/zinc/10/35/39/394103539.db2.gz RDCZSBAHQQBQOG-UHFFFAOYSA-N 0 3 252.321 2.631 20 30 CFEDHN CCOC(=O)N(C)C1CCN(CCCC(C)(C)C#N)CC1 ZINC000492943406 394104013 /nfs/dbraw/zinc/10/40/13/394104013.db2.gz GTDIMZNOJSREIO-UHFFFAOYSA-N 0 3 295.427 2.869 20 30 CFEDHN C#C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(C)C ZINC000281867707 394085784 /nfs/dbraw/zinc/08/57/84/394085784.db2.gz DQJDLRMZLIDEKQ-HNNXBMFYSA-N 0 3 298.386 2.882 20 30 CFEDHN COC(=O)[C@@H](C)CN(Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000487884141 394028087 /nfs/dbraw/zinc/02/80/87/394028087.db2.gz UDBWTEISNJCUCQ-ZDUSSCGKSA-N 0 3 286.375 2.640 20 30 CFEDHN CC(C)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CCN1C ZINC000488161617 394036399 /nfs/dbraw/zinc/03/63/99/394036399.db2.gz BJYBIULJFDVJSB-WMLDXEAASA-N 0 3 271.408 2.891 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1cc(C#N)ccc1OC ZINC000130337628 394109464 /nfs/dbraw/zinc/10/94/64/394109464.db2.gz BKJUZODRLKPENH-CVEARBPZSA-N 0 3 288.391 2.692 20 30 CFEDHN C=C(C)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282015670 394110560 /nfs/dbraw/zinc/11/05/60/394110560.db2.gz JXEYBVANMMNZKF-CQSZACIVSA-N 0 3 259.397 2.975 20 30 CFEDHN C=CCN1CC[C@@H](N(CCC)Cc2ccccc2)C1=O ZINC000282073101 394119775 /nfs/dbraw/zinc/11/97/75/394119775.db2.gz TUPIUWJURZQKDV-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359002894 394120395 /nfs/dbraw/zinc/12/03/95/394120395.db2.gz AANPXRIYYXTLGK-LZWOXQAQSA-N 0 3 287.407 2.523 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420940489 394131911 /nfs/dbraw/zinc/13/19/11/394131911.db2.gz MWBOIRXKQHLEBN-UMVBOHGHSA-N 0 3 258.365 2.570 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360617291 394155821 /nfs/dbraw/zinc/15/58/21/394155821.db2.gz WEXQNZOUBXKHGH-CQSZACIVSA-N 0 3 292.354 2.781 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000360642702 394157069 /nfs/dbraw/zinc/15/70/69/394157069.db2.gz WFGFEZUVSOLOAC-MRVWCRGKSA-N 0 3 272.348 2.508 20 30 CFEDHN CC(C)N(Cc1cc(C#N)cs1)[C@H]1CCOC1 ZINC000361064987 394164165 /nfs/dbraw/zinc/16/41/65/394164165.db2.gz HMWKIIHZJFCHIR-LBPRGKRZSA-N 0 3 250.367 2.619 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000361077202 394164773 /nfs/dbraw/zinc/16/47/73/394164773.db2.gz GKWIATHQPCYEED-KYJSFNMBSA-N 0 3 299.418 2.747 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@H](c1nnc[n-]1)c1ccccc1 ZINC000361154908 394166445 /nfs/dbraw/zinc/16/64/45/394166445.db2.gz RMIGEGNNCMBPBM-OCCSQVGLSA-N 0 3 256.353 2.838 20 30 CFEDHN C=CCC[C@@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000361154908 394166447 /nfs/dbraw/zinc/16/64/47/394166447.db2.gz RMIGEGNNCMBPBM-OCCSQVGLSA-N 0 3 256.353 2.838 20 30 CFEDHN C=CC1CCN(Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000361177138 394167793 /nfs/dbraw/zinc/16/77/93/394167793.db2.gz GVRQFTBTEGVVKC-UHFFFAOYSA-N 0 3 276.380 2.518 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](CCO)CC2)c1 ZINC000421044639 394168393 /nfs/dbraw/zinc/16/83/93/394168393.db2.gz SUEDULNHQNMNGG-AWEZNQCLSA-N 0 3 258.365 2.543 20 30 CFEDHN CN1CC[C@@H](CNc2ccncc2C#N)[C@H]1c1cccs1 ZINC000364372126 394206488 /nfs/dbraw/zinc/20/64/88/394206488.db2.gz QPBCEPLGTQFULV-LRDDRELGSA-N 0 3 298.415 2.542 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000289784902 394221635 /nfs/dbraw/zinc/22/16/35/394221635.db2.gz MXCARFHCVNZPHZ-HOCLYGCPSA-N 0 3 274.408 2.874 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@@]23CCOC3)cc1 ZINC000367047308 394250734 /nfs/dbraw/zinc/25/07/34/394250734.db2.gz HPHCBXNNWBHANM-SFHVURJKSA-N 0 3 285.387 2.844 20 30 CFEDHN CC(C)[C@H](O)C(C)(C)CNCc1ccc(C#N)c(F)c1 ZINC000421346510 394193624 /nfs/dbraw/zinc/19/36/24/394193624.db2.gz ZDHBWBFTQOZWSB-HNNXBMFYSA-N 0 3 278.371 2.830 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccc(C#N)s2)[C@H]1SC ZINC000421349383 394194311 /nfs/dbraw/zinc/19/43/11/394194311.db2.gz IPKCHEHYULSPGQ-YNEHKIRRSA-N 0 3 282.434 2.618 20 30 CFEDHN CC(C)CC[C@@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000421352358 394195817 /nfs/dbraw/zinc/19/58/17/394195817.db2.gz DCSLJHSOLZNEKH-MRXNPFEDSA-N 0 3 278.371 2.974 20 30 CFEDHN C=CCC[C@H](O)CNC1(C(=O)NCCCC)CCCCC1 ZINC000151361464 394261817 /nfs/dbraw/zinc/26/18/17/394261817.db2.gz JSNZYCPDMADVKC-HNNXBMFYSA-N 0 3 296.455 2.522 20 30 CFEDHN C=CCC[C@@H](O)CNC1(C(=O)NCCCC)CCCCC1 ZINC000151361392 394262248 /nfs/dbraw/zinc/26/22/48/394262248.db2.gz JSNZYCPDMADVKC-OAHLLOKOSA-N 0 3 296.455 2.522 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/C2CCCC2)CC1 ZINC000493516845 394265223 /nfs/dbraw/zinc/26/52/23/394265223.db2.gz JTWYXNLIMNLKMF-BQYQJAHWSA-N 0 3 276.424 2.890 20 30 CFEDHN CC(C)c1noc([C@@]23CCC[C@@H]2CN(CCCC#N)C3)n1 ZINC000372271611 394309034 /nfs/dbraw/zinc/30/90/34/394309034.db2.gz BHNRGFCZNXFLIK-CZUORRHYSA-N 0 3 288.395 2.850 20 30 CFEDHN CC(C)N1CC[C@H](N(C)C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493780657 394314849 /nfs/dbraw/zinc/31/48/49/394314849.db2.gz DKJVLZMWNIWWCO-QWPQOLDESA-N 0 3 297.402 2.513 20 30 CFEDHN C=C[C@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000155728813 394322029 /nfs/dbraw/zinc/32/20/29/394322029.db2.gz WGXQVVDGKVXIOO-ZDUSSCGKSA-N 0 3 258.365 2.587 20 30 CFEDHN C[C@@H]1C[C@H](C)CN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000158003424 394353244 /nfs/dbraw/zinc/35/32/44/394353244.db2.gz SYWQFWSDWKVQMX-BETUJISGSA-N 0 3 268.364 2.684 20 30 CFEDHN CC[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)CC ZINC000453378489 394392763 /nfs/dbraw/zinc/39/27/63/394392763.db2.gz QTNCZFFNGPPGAS-KMUNFCNLSA-N 0 3 264.344 2.897 20 30 CFEDHN CC(C)(C)OC(=O)C1CCC(NCC2(C#N)CC2)CC1 ZINC000519681801 394374591 /nfs/dbraw/zinc/37/45/91/394374591.db2.gz VLUOAIAZAZQCJU-UHFFFAOYSA-N 0 3 278.396 2.780 20 30 CFEDHN C[C@H](NC[C@@H](O)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000453359311 394390297 /nfs/dbraw/zinc/39/02/97/394390297.db2.gz ACGJCDQSJNUYRK-ZUZCIYMTSA-N 0 3 262.328 2.509 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000279923511 542890729 /nfs/dbraw/zinc/89/07/29/542890729.db2.gz AGNXRLXJTBMNJI-HNNXBMFYSA-N 0 3 291.391 2.873 20 30 CFEDHN C[C@@H]1CC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)O1 ZINC000453400820 394397091 /nfs/dbraw/zinc/39/70/91/394397091.db2.gz DEJASWXHGASIDE-WPGHFRTFSA-N 0 3 256.349 2.703 20 30 CFEDHN C=CCN1CCC(Nc2cc(C(C)(C)C)ncn2)CC1 ZINC000685270289 542900656 /nfs/dbraw/zinc/90/06/56/542900656.db2.gz ZMABONRRGWXLDH-UHFFFAOYSA-N 0 3 274.412 2.836 20 30 CFEDHN COc1ccc(CCN[C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000527991980 394436491 /nfs/dbraw/zinc/43/64/91/394436491.db2.gz XOYKUZVDMIRFCK-LBPRGKRZSA-N 0 3 299.349 2.994 20 30 CFEDHN CCC#C[C@@H](C)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000685592650 542932014 /nfs/dbraw/zinc/93/20/14/542932014.db2.gz ZPHZUXKCAWPTBP-NVXWUHKLSA-N 0 3 268.404 2.925 20 30 CFEDHN CCC#C[C@H](C)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000685592651 542932350 /nfs/dbraw/zinc/93/23/50/542932350.db2.gz ZPHZUXKCAWPTBP-RDJZCZTQSA-N 0 3 268.404 2.925 20 30 CFEDHN COC(=O)CC1(NCc2cc(C#N)cs2)CCCCC1 ZINC000543632217 394736427 /nfs/dbraw/zinc/73/64/27/394736427.db2.gz XPVGPAQYXALZPH-UHFFFAOYSA-N 0 3 292.404 2.975 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cn2)[C@@H](C)[C@H]1OC ZINC000558245645 395055979 /nfs/dbraw/zinc/05/59/79/395055979.db2.gz HBXQPWLBZGQOFQ-DAXOMENPSA-N 0 3 287.407 2.883 20 30 CFEDHN C=CCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000574748611 395089235 /nfs/dbraw/zinc/08/92/35/395089235.db2.gz HJOXALBLNLYZGP-UHFFFAOYSA-N 0 3 252.745 2.764 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](C)C[C@H]2c2ccccc2)C1=O ZINC000285848230 542971172 /nfs/dbraw/zinc/97/11/72/542971172.db2.gz WYAHZGMPHXAMQS-XIRDDKMYSA-N 0 3 284.403 2.856 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OCC(C)C ZINC000648517474 395182247 /nfs/dbraw/zinc/18/22/47/395182247.db2.gz RYIBHFUGTSCVFI-HNNXBMFYSA-N 0 3 263.381 2.748 20 30 CFEDHN Cc1ccc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)nc1C#N ZINC000357683621 292042308 /nfs/dbraw/zinc/04/23/08/292042308.db2.gz IMKLYKNRFHRGJT-KSSFIOAISA-N 0 3 294.402 2.787 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H]1CCCN1C ZINC000649610722 395538237 /nfs/dbraw/zinc/53/82/37/395538237.db2.gz ZEMFIWDXLHHZOO-QGZVFWFLSA-N 0 3 290.455 2.936 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2c1cc(F)cc2F ZINC000650031388 395601382 /nfs/dbraw/zinc/60/13/82/395601382.db2.gz FRKLBGFVHGYSPW-ZNMIVQPWSA-N 0 3 265.303 2.885 20 30 CFEDHN C=C(CC)CN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649828436 395577613 /nfs/dbraw/zinc/57/76/13/395577613.db2.gz ITNXRGUAYZBSCK-QGZVFWFLSA-N 0 3 258.409 2.811 20 30 CFEDHN C=CCCCN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185842190 543049856 /nfs/dbraw/zinc/04/98/56/543049856.db2.gz XBMUBIIJLTWINO-UHFFFAOYSA-N 0 3 274.412 2.688 20 30 CFEDHN CC(C)OCC(C)(C)NCc1cc(C#N)cs1 ZINC000396355896 397555573 /nfs/dbraw/zinc/55/55/73/397555573.db2.gz HIHVUWLSXAAJOS-UHFFFAOYSA-N 0 3 252.383 2.913 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CC)C1 ZINC000042145652 397557015 /nfs/dbraw/zinc/55/70/15/397557015.db2.gz KVEUKZWAOGUFGO-LSDHHAIUSA-N 0 3 264.413 2.698 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000177544640 397609082 /nfs/dbraw/zinc/60/90/82/397609082.db2.gz CVAQCLXUFXTNQP-VYDXJSESSA-N 0 3 299.418 2.625 20 30 CFEDHN C[C@H](N(C)CC#Cc1cccc(Cl)c1)C(C)(C)O ZINC000295150204 397634573 /nfs/dbraw/zinc/63/45/73/397634573.db2.gz LYNRNIMDMFPDJC-LBPRGKRZSA-N 0 3 265.784 2.783 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000334689312 289236211 /nfs/dbraw/zinc/23/62/11/289236211.db2.gz WXRIWLHTTUXBLM-KCJUWKMLSA-N 0 3 264.325 2.638 20 30 CFEDHN C[C@H]1CC[C@H](N(CCO)Cc2cc(C#N)cs2)C1 ZINC000356373456 155243823 /nfs/dbraw/zinc/24/38/23/155243823.db2.gz VRZUXSPNIXUYEJ-AAEUAGOBSA-N 0 3 264.394 2.603 20 30 CFEDHN CCCN(CCN1CCCC1)c1ncc(C#N)cc1Cl ZINC000343254153 154156715 /nfs/dbraw/zinc/15/67/15/154156715.db2.gz SUIBUPCJEDXFNN-UHFFFAOYSA-N 0 3 292.814 2.919 20 30 CFEDHN N#Cc1cccc(CNCc2cccc3c[nH]nc32)c1 ZINC000343272987 154164240 /nfs/dbraw/zinc/16/42/40/154164240.db2.gz WFYWJYCATPXTQC-UHFFFAOYSA-N 0 3 262.316 2.724 20 30 CFEDHN C[C@H](NCc1ccc(F)cc1C#N)[C@H]1CCCOC1 ZINC000348143681 154337821 /nfs/dbraw/zinc/33/78/21/154337821.db2.gz QBSWOIRVEVKGLB-AAEUAGOBSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H](NC[C@@H](CO)c1cccnc1)c1ccc(C#N)c(F)c1 ZINC000348249424 154379375 /nfs/dbraw/zinc/37/93/75/154379375.db2.gz YUYCSUBIQFPDAU-LRDDRELGSA-N 0 3 299.349 2.519 20 30 CFEDHN C[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000348254724 154382631 /nfs/dbraw/zinc/38/26/31/154382631.db2.gz IIMJDXGCPIMDNN-CZUORRHYSA-N 0 3 298.361 2.952 20 30 CFEDHN CN(C[C@@H]1CCCN(C)C1)c1cc(C#N)c2ccccc2n1 ZINC000355740703 155073007 /nfs/dbraw/zinc/07/30/07/155073007.db2.gz DQMSUBLUXSFZGM-CQSZACIVSA-N 0 3 294.402 2.884 20 30 CFEDHN Cc1ccc2c(c1)CN(C(=O)C(C)C#N)C(C)(C)C2 ZINC000336444449 292322230 /nfs/dbraw/zinc/32/22/30/292322230.db2.gz OWBVIWUTYCRWHA-LBPRGKRZSA-N 0 3 256.349 2.818 20 30 CFEDHN Cc1ccncc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000358191849 155666372 /nfs/dbraw/zinc/66/63/72/155666372.db2.gz PCDBRQMGJNZEQS-AWEZNQCLSA-N 0 3 281.359 2.991 20 30 CFEDHN CC[C@H](O)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358562585 155801219 /nfs/dbraw/zinc/80/12/19/155801219.db2.gz HIDCFHGSQXBCNT-AAEUAGOBSA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(Cl)cc2C#N)CCN1C ZINC000360135284 156029471 /nfs/dbraw/zinc/02/94/71/156029471.db2.gz ZNAYIECVAMISRC-VXGBXAGGSA-N 0 3 277.799 2.736 20 30 CFEDHN C[C@]1(NCc2ccc(C#N)c(F)c2)CCO[C@@H]1C1CC1 ZINC000365259767 156228101 /nfs/dbraw/zinc/22/81/01/156228101.db2.gz RCSYNPGKQDVGJE-CVEARBPZSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)c(F)c2)CCO[C@@H]1C1CC1 ZINC000365259770 156228249 /nfs/dbraw/zinc/22/82/49/156228249.db2.gz RCSYNPGKQDVGJE-HZPDHXFCSA-N 0 3 274.339 2.745 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000367448491 156333154 /nfs/dbraw/zinc/33/31/54/156333154.db2.gz BMMRXXKKNCVEIP-INIZCTEOSA-N 0 3 282.318 2.791 20 30 CFEDHN N#Cc1cccc(CN[C@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000373633745 157015131 /nfs/dbraw/zinc/01/51/31/157015131.db2.gz KLIUZRGJWPRXOB-YJBOKZPZSA-N 0 3 278.355 2.869 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@](C)(OC)CC1 ZINC000373650182 157017978 /nfs/dbraw/zinc/01/79/78/157017978.db2.gz XQXKVHHLPSXKKZ-QGZVFWFLSA-N 0 3 288.391 2.958 20 30 CFEDHN COc1cc(CN2CCCO[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000374203682 157081506 /nfs/dbraw/zinc/08/15/06/157081506.db2.gz FBFACKDDSMSXKJ-JKSUJKDBSA-N 0 3 286.375 2.710 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@]2(C1)CCCOC2 ZINC000375277407 157216971 /nfs/dbraw/zinc/21/69/71/157216971.db2.gz JFLRNCVWMOGGBB-QGZVFWFLSA-N 0 3 286.375 2.569 20 30 CFEDHN COc1cc(CN2CC[C@@]3(C2)CCCOC3)ccc1C#N ZINC000375301469 157222548 /nfs/dbraw/zinc/22/25/48/157222548.db2.gz GPHQSHYBTDWCGT-QGZVFWFLSA-N 0 3 286.375 2.569 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000651273558 413390788 /nfs/dbraw/zinc/39/07/88/413390788.db2.gz QKCXTPSNWNUVHB-JKSUJKDBSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H]2CC2(C)C)CC1 ZINC000660596996 413422389 /nfs/dbraw/zinc/42/23/89/413422389.db2.gz KYFDQXSZWXDVKA-AWEZNQCLSA-N 0 3 293.455 2.714 20 30 CFEDHN C[C@@]1(NCc2cc(C#N)cs2)CCO[C@@H]1C1CC1 ZINC000344376728 162030017 /nfs/dbraw/zinc/03/00/17/162030017.db2.gz MHLIMOIGRAOYAA-ZIAGYGMSSA-N 0 3 262.378 2.667 20 30 CFEDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccc(C#N)s1 ZINC000344393065 162032053 /nfs/dbraw/zinc/03/20/53/162032053.db2.gz WHVSXCFINRTREV-MFKMUULPSA-N 0 3 252.383 2.506 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201574 162352333 /nfs/dbraw/zinc/35/23/33/162352333.db2.gz RBHSWPHXGMHHNT-HNHYXYPQSA-N 0 3 274.339 2.915 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000346237837 162359950 /nfs/dbraw/zinc/35/99/50/162359950.db2.gz MTKOCLFRWFXCEX-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CC=CCC1 ZINC000346336625 162385399 /nfs/dbraw/zinc/38/53/99/162385399.db2.gz SHDQYYNKAPABKL-AWEZNQCLSA-N 0 3 280.375 2.994 20 30 CFEDHN CCC[C@@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000350314657 163072584 /nfs/dbraw/zinc/07/25/84/163072584.db2.gz NVYGZDGXAHIYMZ-GFCCVEGCSA-N 0 3 256.353 2.826 20 30 CFEDHN CCC[C@]1(NCc2cc(C#N)ccc2OC)CCOC1 ZINC000352828105 163244632 /nfs/dbraw/zinc/24/46/32/163244632.db2.gz XDRCBCSBGUCUIJ-INIZCTEOSA-N 0 3 274.364 2.616 20 30 CFEDHN CC(C)[C@@H]1OCCC[C@@H]1CNCc1nc(C#N)cs1 ZINC000352850957 163250681 /nfs/dbraw/zinc/25/06/81/163250681.db2.gz YNGQHSDTWGIOHO-RISCZKNCSA-N 0 3 279.409 2.556 20 30 CFEDHN COC1CCC(CCNCc2nc(C#N)cs2)CC1 ZINC000352851627 163253525 /nfs/dbraw/zinc/25/35/25/163253525.db2.gz IOGRJMUPDVPCTL-UHFFFAOYSA-N 0 3 279.409 2.700 20 30 CFEDHN CC(C)[C@](C)(CO)NCc1ccc(Cl)cc1C#N ZINC000352895741 163263925 /nfs/dbraw/zinc/26/39/25/163263925.db2.gz WJIPNAOTISWQHX-AWEZNQCLSA-N 0 3 266.772 2.708 20 30 CFEDHN COc1cc(CNCc2ccc3c(c2)COC3)ccc1C#N ZINC000353228010 163322676 /nfs/dbraw/zinc/32/26/76/163322676.db2.gz PINHUESJCAMXGA-UHFFFAOYSA-N 0 3 294.354 2.887 20 30 CFEDHN CCCCOCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353391320 163357830 /nfs/dbraw/zinc/35/78/30/163357830.db2.gz WUDCQPHECXPWAS-MRXNPFEDSA-N 0 3 258.365 2.952 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651433376 413469258 /nfs/dbraw/zinc/46/92/58/413469258.db2.gz WADJPSMIIIBTHD-BIMULSAOSA-N 0 3 274.320 2.528 20 30 CFEDHN C=CCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575132592 335070646 /nfs/dbraw/zinc/07/06/46/335070646.db2.gz OUNGCKZPOLYCSG-UHFFFAOYSA-N 0 3 261.325 2.704 20 30 CFEDHN COc1cccc([C@H](CNc2cc(C#N)ccn2)N(C)C)c1 ZINC000022242177 171381987 /nfs/dbraw/zinc/38/19/87/171381987.db2.gz KONKPILDGLFDGC-INIZCTEOSA-N 0 3 296.374 2.677 20 30 CFEDHN C=C(C)COCCNCc1cc(COC)cs1 ZINC000657397629 413553632 /nfs/dbraw/zinc/55/36/32/413553632.db2.gz DNJALGSRASNCTI-UHFFFAOYSA-N 0 3 255.383 2.577 20 30 CFEDHN CC#CCN1CCC(Cc2nc(CC)cs2)CC1 ZINC000653802500 413506785 /nfs/dbraw/zinc/50/67/85/413506785.db2.gz IMVCSCTXRUPLLD-UHFFFAOYSA-N 0 3 262.422 2.983 20 30 CFEDHN C=CCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806972 413509946 /nfs/dbraw/zinc/50/99/46/413509946.db2.gz HNYLLRZOMGMJDX-UHFFFAOYSA-N 0 3 253.349 2.995 20 30 CFEDHN C=CCCn1cc(CNC2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000657371334 413512872 /nfs/dbraw/zinc/51/28/72/413512872.db2.gz JGMZTVMESOALCM-CHWSQXEVSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@H]3CCC[C@H]3C2)nn1 ZINC000657376933 413521113 /nfs/dbraw/zinc/52/11/13/413521113.db2.gz QNSVYWPKSSVTII-QLFBSQMISA-N 0 3 274.412 2.913 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2nnc3n2CCCCC3)C1 ZINC000651666302 413550455 /nfs/dbraw/zinc/55/04/55/413550455.db2.gz XBTNWIOCBXSHHV-KGLIPLIRSA-N 0 3 274.412 2.839 20 30 CFEDHN CC[C@@H](NCC#Cc1ccccc1)[C@@H]1CCCCO1 ZINC000653874055 413552827 /nfs/dbraw/zinc/55/28/27/413552827.db2.gz AGSSUKQXFRJVHG-SJORKVTESA-N 0 3 257.377 2.975 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000651686091 413568885 /nfs/dbraw/zinc/56/88/85/413568885.db2.gz PYXUMSJVBSZVNP-GJZGRUSLSA-N 0 3 293.432 2.795 20 30 CFEDHN CN(Cc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000035717378 172371455 /nfs/dbraw/zinc/37/14/55/172371455.db2.gz ZENHEGBPXKGUMO-HNNXBMFYSA-N 0 3 272.373 2.785 20 30 CFEDHN C=CCCn1cc(CNC2(C)Cc3ccccc3C2)nn1 ZINC000657424613 413586247 /nfs/dbraw/zinc/58/62/47/413586247.db2.gz ZOTGZAXKNOZLNR-UHFFFAOYSA-N 0 3 282.391 2.501 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000660822162 413596592 /nfs/dbraw/zinc/59/65/92/413596592.db2.gz AJNRFHOCJFMIJX-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nccn1C(C)C ZINC000657454758 413628307 /nfs/dbraw/zinc/62/83/07/413628307.db2.gz MAYYIECSBKYCRZ-DZGCQCFKSA-N 0 3 263.385 2.535 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000664216312 413638709 /nfs/dbraw/zinc/63/87/09/413638709.db2.gz GXSSTJQQEBENDA-UONOGXRCSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2ncnn2C(C)(C)C)C1 ZINC000651794894 413645716 /nfs/dbraw/zinc/64/57/16/413645716.db2.gz FVIBPJGCHFBZKX-QWHCGFSZSA-N 0 3 262.401 2.868 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCC[C@H](C)N(C)C)c1 ZINC000664243438 413653675 /nfs/dbraw/zinc/65/36/75/413653675.db2.gz FTEKHXNZUPIAMP-NSHDSACASA-N 0 3 259.353 2.513 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000660843842 413614533 /nfs/dbraw/zinc/61/45/33/413614533.db2.gz CLHMXYLUSHEPTA-XHSDSOJGSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651761216 413623197 /nfs/dbraw/zinc/62/31/97/413623197.db2.gz IYTUQAUFAQORNA-JQWIXIFHSA-N 0 3 269.747 2.993 20 30 CFEDHN C=CCC[C@H](O)CN1CCOc2ccc(C)cc2C1 ZINC000285437972 196284481 /nfs/dbraw/zinc/28/44/81/196284481.db2.gz FOWBLOMUQLQOCC-HNNXBMFYSA-N 0 3 261.365 2.517 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](CC)CC(F)(F)F)nn1 ZINC000657492212 413682227 /nfs/dbraw/zinc/68/22/27/413682227.db2.gz AAJBOJFJMYYJPY-NSHDSACASA-N 0 3 290.333 2.922 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CC3CCC2CC3)nn1 ZINC000657497907 413688767 /nfs/dbraw/zinc/68/87/67/413688767.db2.gz GJYKKHTYEVUAEP-NRXISQOPSA-N 0 3 274.412 2.770 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000660991544 413697822 /nfs/dbraw/zinc/69/78/22/413697822.db2.gz LRIIYIAGHYFLCF-ZIAGYGMSSA-N 0 3 281.444 2.903 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CC)CN1CCCC1 ZINC000664409956 413751052 /nfs/dbraw/zinc/75/10/52/413751052.db2.gz RSFWDFRCWWCFQB-OAGGEKHMSA-N 0 3 291.439 2.753 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cc(OC)no1 ZINC000661116545 413768438 /nfs/dbraw/zinc/76/84/38/413768438.db2.gz YURCKSLVHOBYNM-YPMHNXCESA-N 0 3 250.342 2.908 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCC(=O)Nc1nccs1 ZINC000661118281 413769925 /nfs/dbraw/zinc/76/99/25/413769925.db2.gz XNGBFDFQWJHYPL-RYUDHWBXSA-N 0 3 279.409 2.806 20 30 CFEDHN CCC[C@]1(NCc2cc(C#N)ccc2F)CCOC1 ZINC000285512732 196309575 /nfs/dbraw/zinc/30/95/75/196309575.db2.gz JXMQZNKNIHFQGF-HNNXBMFYSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCc2ccccc2C(C)(C)C1 ZINC000661208668 413819801 /nfs/dbraw/zinc/81/98/01/413819801.db2.gz BTNWPFMQVQFVLG-AWEZNQCLSA-N 0 3 286.419 2.513 20 30 CFEDHN C=CCOCCCNCc1cc(OC)ccc1F ZINC000657659245 413825048 /nfs/dbraw/zinc/82/50/48/413825048.db2.gz UFGHXOAQWBPIGO-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C=CCOCCCNCc1cc(F)c(F)cc1F ZINC000657658247 413828220 /nfs/dbraw/zinc/82/82/20/413828220.db2.gz QBGCIDYSGIDFNM-UHFFFAOYSA-N 0 3 259.271 2.786 20 30 CFEDHN C=CCN(C[C@@H](OC)C1CCCC1)[C@@H](C)COC ZINC000661239161 413841379 /nfs/dbraw/zinc/84/13/79/413841379.db2.gz KAQJNEXMOQHCIQ-DZGCQCFKSA-N 0 3 255.402 2.715 20 30 CFEDHN C=CCN(Cc1ccc(COC)cc1)[C@H](C)COC ZINC000661238969 413842199 /nfs/dbraw/zinc/84/21/99/413842199.db2.gz AXQUUCXWWVEGEV-CQSZACIVSA-N 0 3 263.381 2.856 20 30 CFEDHN C=CCN(C[C@@H](O)CCc1ccccc1)[C@@H](C)COC ZINC000661240338 413842429 /nfs/dbraw/zinc/84/24/29/413842429.db2.gz NJXMUNGBNPDZKA-RDJZCZTQSA-N 0 3 277.408 2.503 20 30 CFEDHN C=CCN(Cc1cccc(N(C)C)c1)[C@@H](C)COC ZINC000661239220 413842661 /nfs/dbraw/zinc/84/26/61/413842661.db2.gz DEJPSOIJXVKPTN-AWEZNQCLSA-N 0 3 262.397 2.776 20 30 CFEDHN C=CCN(C[C@H](O)[C@@H](C)c1ccccc1)[C@@H](C)COC ZINC000661240091 413842940 /nfs/dbraw/zinc/84/29/40/413842940.db2.gz LGCLDAPFDXIIEJ-ZOBUZTSGSA-N 0 3 277.408 2.674 20 30 CFEDHN C=CCN(Cc1cc2ccccc2[nH]c1=O)[C@@H](C)COC ZINC000661242727 413848405 /nfs/dbraw/zinc/84/84/05/413848405.db2.gz FBISKXMFYBRDGJ-ZDUSSCGKSA-N 0 3 286.375 2.963 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654580993 413915472 /nfs/dbraw/zinc/91/54/72/413915472.db2.gz NLTDUGBSIQOTMW-KBPBESRZSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654580994 413916373 /nfs/dbraw/zinc/91/63/73/413916373.db2.gz NLTDUGBSIQOTMW-KGLIPLIRSA-N 0 3 279.428 2.515 20 30 CFEDHN CSCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285556640 196325853 /nfs/dbraw/zinc/32/58/53/196325853.db2.gz SCIIUHOXYYSNGV-UHFFFAOYSA-N 0 3 294.395 2.904 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2)C1 ZINC000661378351 413936968 /nfs/dbraw/zinc/93/69/68/413936968.db2.gz DHMQVAAUJDUWQZ-WBVHZDCISA-N 0 3 286.419 2.979 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1 ZINC000661377170 413937785 /nfs/dbraw/zinc/93/77/85/413937785.db2.gz KKRKVMKYRJZHNR-OAHLLOKOSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CC[C@H]1CCCN(C[C@H](O)CC(F)(F)F)C1 ZINC000661385444 413940435 /nfs/dbraw/zinc/94/04/35/413940435.db2.gz OSGLCLXVUQMTSX-WDEREUQCSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000654665815 413951646 /nfs/dbraw/zinc/95/16/46/413951646.db2.gz QLCZEQPDABLSRF-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N(C)CCN1CCCCC1 ZINC000652566795 414012256 /nfs/dbraw/zinc/01/22/56/414012256.db2.gz XNAVBXOMJYRYOV-UHFFFAOYSA-N 0 3 291.443 2.510 20 30 CFEDHN C[C@H]1CCCN(CC#Cc2ccc(F)cc2)[C@H]1CCO ZINC000661497044 414012978 /nfs/dbraw/zinc/01/29/78/414012978.db2.gz HTFAAEUNIINANO-YOEHRIQHSA-N 0 3 275.367 2.660 20 30 CFEDHN C[C@H]1CCCN(CC#Cc2ccccc2)[C@@H]1CCO ZINC000661502237 414015671 /nfs/dbraw/zinc/01/56/71/414015671.db2.gz ZENBDIAVVCLYBB-DOTOQJQBSA-N 0 3 257.377 2.521 20 30 CFEDHN C=CCCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000661570675 414054486 /nfs/dbraw/zinc/05/44/86/414054486.db2.gz QRHHBXZWAFBDLK-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037173172 173007134 /nfs/dbraw/zinc/00/71/34/173007134.db2.gz RCMKZONZBAXFEG-OLZOCXBDSA-N 0 3 273.380 2.863 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](C)Cn1cccn1 ZINC000037319778 173119591 /nfs/dbraw/zinc/11/95/91/173119591.db2.gz VXAXQBRCDSREKJ-AWEZNQCLSA-N 0 3 271.364 2.626 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(C(F)F)nc1 ZINC000657972042 414079245 /nfs/dbraw/zinc/07/92/45/414079245.db2.gz NYACCTYQJPBFNI-SNVBAGLBSA-N 0 3 256.296 2.872 20 30 CFEDHN C=CCC[C@H](NC[C@H](OC)[C@@H]1CCOC1)c1ccco1 ZINC000658073751 414155817 /nfs/dbraw/zinc/15/58/17/414155817.db2.gz ZGURGVBXIIPFFO-YCPHGPKFSA-N 0 3 279.380 2.928 20 30 CFEDHN C=CCC[C@H](C)NCc1cnc(C(F)(F)F)nc1 ZINC000658080980 414168306 /nfs/dbraw/zinc/16/83/06/414168306.db2.gz BMOXQMPVNPCMBJ-VIFPVBQESA-N 0 3 259.275 2.940 20 30 CFEDHN C=CCN(CC(=O)NC1CCCCC1)C(C)(C)C ZINC000661755657 414194523 /nfs/dbraw/zinc/19/45/23/414194523.db2.gz XCQCOXPLIXACOJ-UHFFFAOYSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCN(Cc1cc(=O)n2ccsc2n1)C(C)(C)C ZINC000661756053 414194576 /nfs/dbraw/zinc/19/45/76/414194576.db2.gz AUVASMUQYWPWCW-UHFFFAOYSA-N 0 3 277.393 2.543 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000658335144 414385673 /nfs/dbraw/zinc/38/56/73/414385673.db2.gz KIOCDORQPKJWNF-GXSJLCMTSA-N 0 3 255.745 2.546 20 30 CFEDHN CCc1c[nH]c(=O)c(C(=O)C(C#N)c2nc(C)cs2)c1 ZINC000659010660 414430685 /nfs/dbraw/zinc/43/06/85/414430685.db2.gz VECSHSYYCNFWRK-LLVKDONJSA-N 0 3 287.344 2.605 20 30 CFEDHN C=C[C@H](CO)NCc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000662168291 414441411 /nfs/dbraw/zinc/44/14/11/414441411.db2.gz AJLKUBNYIBIVHM-ZWNOBZJWSA-N 0 3 273.298 2.989 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000662080330 414398921 /nfs/dbraw/zinc/39/89/21/414398921.db2.gz OLQNLBUJGTYZCI-ZQDZILKHSA-N 0 3 264.413 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCCCCC1 ZINC000662079549 414399456 /nfs/dbraw/zinc/39/94/56/414399456.db2.gz HHYHKFSGSLHCRL-HRCADAONSA-N 0 3 276.424 2.961 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CC(C)C)C1CC1 ZINC000662083870 414401278 /nfs/dbraw/zinc/40/12/78/414401278.db2.gz LNWRENRZJCAVQI-IYBDPMFKSA-N 0 3 276.424 2.816 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCC(C)C ZINC000662081664 414402133 /nfs/dbraw/zinc/40/21/33/414402133.db2.gz XFILEXLZNJRVFL-SOUVJXGZSA-N 0 3 264.413 2.720 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000659519236 414529352 /nfs/dbraw/zinc/52/93/52/414529352.db2.gz GLDKQTOPFZVXSD-CQSZACIVSA-N 0 3 275.396 2.730 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)n1cc(C(C)(C)N)nn1 ZINC000656457970 414581334 /nfs/dbraw/zinc/58/13/34/414581334.db2.gz UZIYVVBQPHAPPR-AWEZNQCLSA-N 0 3 270.380 2.832 20 30 CFEDHN N#Cc1cnc2ccccc2c1N[C@@H]1CCN(C2CC2)C1 ZINC000044679008 175228451 /nfs/dbraw/zinc/22/84/51/175228451.db2.gz BTQJENKHXGDVGC-CYBMUJFWSA-N 0 3 278.359 2.755 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000078545611 177352233 /nfs/dbraw/zinc/35/22/33/177352233.db2.gz YPNOTDNAQCNYNO-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)N(C)CCC#N ZINC000078595471 177357538 /nfs/dbraw/zinc/35/75/38/177357538.db2.gz MZCAQODKKAVVGK-RYUDHWBXSA-N 0 3 293.798 2.751 20 30 CFEDHN CCCNC(=O)C1(NCc2ccc(C#N)cc2)CCCCC1 ZINC000078656014 177367058 /nfs/dbraw/zinc/36/70/58/177367058.db2.gz CHDWJKDFTUKRAI-UHFFFAOYSA-N 0 3 299.418 2.877 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cnn3ccccc23)C1 ZINC000334740695 225298062 /nfs/dbraw/zinc/29/80/62/225298062.db2.gz PQWSHIKTUXWWGS-OCCSQVGLSA-N 0 3 254.337 2.506 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1nc(C(F)(F)F)cs1 ZINC000347216857 226089875 /nfs/dbraw/zinc/08/98/75/226089875.db2.gz ZYUBTXCDXCNGIY-LURJTMIESA-N 0 3 291.298 2.673 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1cccc(Br)c1 ZINC000347030991 226020185 /nfs/dbraw/zinc/02/01/85/226020185.db2.gz DBYKNOHNKIEEDP-VHSXEESVSA-N 0 3 295.180 2.656 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)ccc1Cl ZINC000354464601 227001518 /nfs/dbraw/zinc/00/15/18/227001518.db2.gz JUHGNGIDIFOCIS-NSHDSACASA-N 0 3 271.707 2.929 20 30 CFEDHN CC(C#N)C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000336485230 227057302 /nfs/dbraw/zinc/05/73/02/227057302.db2.gz BFMFIBROGBUGLW-LBPRGKRZSA-N 0 3 272.323 2.991 20 30 CFEDHN N#Cc1cccc(NC(=O)C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000329189647 227346366 /nfs/dbraw/zinc/34/63/66/227346366.db2.gz PUOZWRJFVRKDIS-MRXNPFEDSA-N 0 3 299.374 2.647 20 30 CFEDHN CO[C@H](CNCc1cc(C#N)cs1)CC(C)C ZINC000418089565 228024804 /nfs/dbraw/zinc/02/48/04/228024804.db2.gz BLGDRZOPOMPHKA-LBPRGKRZSA-N 0 3 252.383 2.770 20 30 CFEDHN C[C@@H]1CC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@H](C)C1 ZINC000330202906 228064081 /nfs/dbraw/zinc/06/40/81/228064081.db2.gz ZYNGFMKKCOLGIJ-SYQHCUMBSA-N 0 3 290.411 2.526 20 30 CFEDHN C[C@@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)[C@H](C)C1 ZINC000330202906 228064082 /nfs/dbraw/zinc/06/40/82/228064082.db2.gz ZYNGFMKKCOLGIJ-SYQHCUMBSA-N 0 3 290.411 2.526 20 30 CFEDHN C[C@@H]1CN(C)CCN1Cc1cccc(OCCCC#N)c1 ZINC000353597892 228128006 /nfs/dbraw/zinc/12/80/06/228128006.db2.gz VBODQRORRUZRHK-OAHLLOKOSA-N 0 3 287.407 2.505 20 30 CFEDHN CN(C)CCN(C(=O)c1cccc(CC#N)c1)C1CCCC1 ZINC000353838456 228157871 /nfs/dbraw/zinc/15/78/71/228157871.db2.gz ALSLZYIFPCWMME-UHFFFAOYSA-N 0 3 299.418 2.699 20 30 CFEDHN N#CCC1CCN(Cc2cc3cccnc3o2)CC1 ZINC000336228897 228218142 /nfs/dbraw/zinc/21/81/42/228218142.db2.gz KTRGAKMDRYFNSZ-UHFFFAOYSA-N 0 3 255.321 2.953 20 30 CFEDHN C#C[C@@H](NC[C@H](O)c1cccc(Br)c1)C(C)C ZINC000305900729 260104700 /nfs/dbraw/zinc/10/47/00/260104700.db2.gz BFHMKYIQIHMNKQ-KGLIPLIRSA-N 0 3 296.208 2.730 20 30 CFEDHN C=CCC(CC=C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188684790 260174017 /nfs/dbraw/zinc/17/40/17/260174017.db2.gz WOTIUXAIQYGKQG-UHFFFAOYSA-N 0 3 270.376 2.674 20 30 CFEDHN CN(CCCC#N)CCCOc1ccc(F)cc1 ZINC000045943810 260192794 /nfs/dbraw/zinc/19/27/94/260192794.db2.gz XWKMXMCQSSGPMJ-UHFFFAOYSA-N 0 3 250.317 2.830 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CC)[C@@H](O)CC ZINC000313096974 260247236 /nfs/dbraw/zinc/24/72/36/260247236.db2.gz XCZXDDQUHKNSEY-CABCVRRESA-N 0 3 263.381 2.891 20 30 CFEDHN C=CCCCC[C@H](C)NCc1nnc2ccccn21 ZINC000449231137 260301068 /nfs/dbraw/zinc/30/10/68/260301068.db2.gz NMIJSBCPKMEINS-ZDUSSCGKSA-N 0 3 258.369 2.954 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1CN(C)C ZINC000517849958 260310746 /nfs/dbraw/zinc/31/07/46/260310746.db2.gz HNVUMCLOEUUICJ-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449250398 260314631 /nfs/dbraw/zinc/31/46/31/260314631.db2.gz LRVNGQLAQUOHEO-UKRRQHHQSA-N 0 3 292.810 2.868 20 30 CFEDHN C=CCCCO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000156914780 261135691 /nfs/dbraw/zinc/13/56/91/261135691.db2.gz LYHMINLDXBOCLO-SAPNQHFASA-N 0 3 274.364 2.840 20 30 CFEDHN CCCCCCCN1CCN(c2cccnn2)CC1 ZINC000157763099 261151744 /nfs/dbraw/zinc/15/17/44/261151744.db2.gz QAWUZWXBRIINCV-UHFFFAOYSA-N 0 3 262.401 2.569 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000102694239 261286424 /nfs/dbraw/zinc/28/64/24/261286424.db2.gz NQQVAGMGVAMRTN-ZDUSSCGKSA-N 0 3 272.392 2.518 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)OCO3)C1 ZINC000185710128 262068032 /nfs/dbraw/zinc/06/80/32/262068032.db2.gz ADZSRDSRMZTUHL-DGCLKSJQSA-N 0 3 258.321 2.587 20 30 CFEDHN CC(=O)Nc1cccc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185778372 262069745 /nfs/dbraw/zinc/06/97/45/262069745.db2.gz XZYFVNVLENDLET-DZGCQCFKSA-N 0 3 271.364 2.817 20 30 CFEDHN N#C[C@H]1CCC[C@H](NC[C@@H](O)c2ccccc2F)C1 ZINC000185793283 262071789 /nfs/dbraw/zinc/07/17/89/262071789.db2.gz YIYKARZOBQWKEN-SLEUVZQESA-N 0 3 262.328 2.531 20 30 CFEDHN C=CCN1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000497221129 262112395 /nfs/dbraw/zinc/11/23/95/262112395.db2.gz UAGDUDAVUBCJHK-MRXNPFEDSA-N 0 3 280.412 2.895 20 30 CFEDHN C=C(C)CNCc1cnc2ccc(Br)cn12 ZINC000119638228 262169083 /nfs/dbraw/zinc/16/90/83/262169083.db2.gz MSMYHABHTZTDOK-UHFFFAOYSA-N 0 3 280.169 2.763 20 30 CFEDHN CO[C@@H](C)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000191143228 262189890 /nfs/dbraw/zinc/18/98/90/262189890.db2.gz FVFAUKIZPNSVSU-AWEZNQCLSA-N 0 3 298.390 2.588 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC(N2CCCC2=O)CC1 ZINC000364353218 262214457 /nfs/dbraw/zinc/21/44/57/262214457.db2.gz LFRAUOOPAOMDKK-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN N#CCSCCCN1CCC[C@@H](OCC2CC2)C1 ZINC000364436450 262239525 /nfs/dbraw/zinc/23/95/25/262239525.db2.gz YDJLZXYWWONFLS-CQSZACIVSA-N 0 3 268.426 2.524 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000364633548 262255782 /nfs/dbraw/zinc/25/57/82/262255782.db2.gz RDPPBZZBLXVEHH-OBJOEFQTSA-N 0 3 278.421 2.617 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccsc2)C[C@H]1C ZINC000364633546 262256069 /nfs/dbraw/zinc/25/60/69/262256069.db2.gz RDPPBZZBLXVEHH-DYEKYZERSA-N 0 3 278.421 2.617 20 30 CFEDHN COc1ccc([C@H](CCC#N)NC[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367709834 262265985 /nfs/dbraw/zinc/26/59/85/262265985.db2.gz VGDCESGFIMXKEE-NXOAAHMSSA-N 0 3 286.375 2.522 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@@H]3CCN(C)[C@@H]3C2)CCCCC1 ZINC000364998287 262266953 /nfs/dbraw/zinc/26/69/53/262266953.db2.gz AENJVTAQIYNLPI-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OCCCC)cc1 ZINC000184287653 262277090 /nfs/dbraw/zinc/27/70/90/262277090.db2.gz LBTMNTPOUDUBRN-OAHLLOKOSA-N 0 3 263.381 2.892 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000354657855 262280577 /nfs/dbraw/zinc/28/05/77/262280577.db2.gz YTNZATCWOJKMIH-UHFFFAOYSA-N 0 3 276.771 2.929 20 30 CFEDHN C=CCCCN1CCCN(CC(F)(F)F)CC1 ZINC000118000434 262376760 /nfs/dbraw/zinc/37/67/60/262376760.db2.gz HQFZMNSUVIEFBQ-UHFFFAOYSA-N 0 3 250.308 2.523 20 30 CFEDHN CCCCCCC[C@@H](C)NCc1nnc2n1CCOC2 ZINC000365235008 262352645 /nfs/dbraw/zinc/35/26/45/262352645.db2.gz RGMYQTMDYQIIFR-CYBMUJFWSA-N 0 3 280.416 2.647 20 30 CFEDHN C=CCN1CC[C@@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000365226314 262352663 /nfs/dbraw/zinc/35/26/63/262352663.db2.gz IEQBCVFAJMRWQV-BBRMVZONSA-N 0 3 280.412 2.942 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000365383531 262363209 /nfs/dbraw/zinc/36/32/09/262363209.db2.gz GZLCGNHMHQCQAJ-FUHWJXTLSA-N 0 3 284.403 2.524 20 30 CFEDHN C[C@H]1OCC[C@]12CN(CCCCC(C)(C)C#N)CCO2 ZINC000373406152 262367104 /nfs/dbraw/zinc/36/71/04/262367104.db2.gz QGZQJNOIFYHJNP-ZBFHGGJFSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000320099653 262391080 /nfs/dbraw/zinc/39/10/80/262391080.db2.gz BAFHUCCGOUKANS-WBMJQRKESA-N 0 3 276.380 2.623 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)c2c(C)cccc2C)C1=O ZINC000337206969 262438333 /nfs/dbraw/zinc/43/83/33/262438333.db2.gz NNKPAZUSZNWTJR-CABCVRRESA-N 0 3 272.392 2.741 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H](C)C(=O)NC1CC1 ZINC000411253187 262685778 /nfs/dbraw/zinc/68/57/78/262685778.db2.gz CXHPAJJMPCKZTP-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1ccnc(OC)n1 ZINC000414534359 262985860 /nfs/dbraw/zinc/98/58/60/262985860.db2.gz JPGXAIHURIUBMI-OAHLLOKOSA-N 0 3 283.375 2.762 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(-n2ccnc2)cc1 ZINC000271976532 263000905 /nfs/dbraw/zinc/00/09/05/263000905.db2.gz IPLALWBAVPQMCG-ZDUSSCGKSA-N 0 3 254.337 2.827 20 30 CFEDHN CN(C(=O)CCN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272496090 263005538 /nfs/dbraw/zinc/00/55/38/263005538.db2.gz CYGQKHDQBDWGLV-UHFFFAOYSA-N 0 3 285.391 2.665 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)OCc2ccccc2)CC1 ZINC000272515514 263005572 /nfs/dbraw/zinc/00/55/72/263005572.db2.gz GQTLCYZZJCGVBI-UHFFFAOYSA-N 0 3 286.375 2.746 20 30 CFEDHN N#CCSCCCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000272815975 263008991 /nfs/dbraw/zinc/00/89/91/263008991.db2.gz DIGPCBCNNNAGGF-ZDUSSCGKSA-N 0 3 284.812 2.610 20 30 CFEDHN Cc1ncc(CNCCCC#N)n1-c1ccccc1 ZINC000273046278 263011525 /nfs/dbraw/zinc/01/15/25/263011525.db2.gz JJXGXXUKAZLFOH-UHFFFAOYSA-N 0 3 254.337 2.574 20 30 CFEDHN N#CCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000273054875 263011905 /nfs/dbraw/zinc/01/19/05/263011905.db2.gz ROMOKEISORMWBD-UHFFFAOYSA-N 0 3 285.391 2.706 20 30 CFEDHN COc1ccc([C@@H](C)NCCCC#N)cc1Cn1cccn1 ZINC000273172892 263013595 /nfs/dbraw/zinc/01/35/95/263013595.db2.gz CJNRBFTWPXLWBZ-CQSZACIVSA-N 0 3 298.390 2.894 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H](CCO)c2ccccc2)C1 ZINC000274250737 263022320 /nfs/dbraw/zinc/02/23/20/263022320.db2.gz YTPMDYFCDFOVRP-FVQBIDKESA-N 0 3 258.365 2.782 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCCO2 ZINC000274656337 263028719 /nfs/dbraw/zinc/02/87/19/263028719.db2.gz UMBCMGAZFPEOKJ-OBJOEFQTSA-N 0 3 272.348 2.801 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000276313092 263036113 /nfs/dbraw/zinc/03/61/13/263036113.db2.gz MVDOWYDTBVSWTO-STQMWFEESA-N 0 3 287.363 2.986 20 30 CFEDHN C=CCCC1(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC1 ZINC000452178261 263044012 /nfs/dbraw/zinc/04/40/12/263044012.db2.gz YTBMRXXRHDLDTA-CQSZACIVSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(C)CC[C@@H]1C ZINC000353434492 263049448 /nfs/dbraw/zinc/04/94/48/263049448.db2.gz JJOFWYTWGIWUFP-HNNXBMFYSA-N 0 3 274.408 2.777 20 30 CFEDHN COc1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1O ZINC000278701852 263049924 /nfs/dbraw/zinc/04/99/24/263049924.db2.gz TTWBBSAIQFRQPE-DGCLKSJQSA-N 0 3 260.337 2.525 20 30 CFEDHN CC(C)(CCC#N)CNCc1ncnn1-c1ccccc1 ZINC000278752576 263050531 /nfs/dbraw/zinc/05/05/31/263050531.db2.gz NJCZYOZMSBPAHC-UHFFFAOYSA-N 0 3 283.379 2.687 20 30 CFEDHN CC(C)(C#N)CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000279178692 263053515 /nfs/dbraw/zinc/05/35/15/263053515.db2.gz CQOGVNANKGPZAY-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN CC(C)[C@@H](CN1CCN(CC#N)CC1)c1ccccc1 ZINC000279721405 263057082 /nfs/dbraw/zinc/05/70/82/263057082.db2.gz UVZRNFHUFDEPLT-QGZVFWFLSA-N 0 3 271.408 2.567 20 30 CFEDHN C=C(C)CN(CC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279772536 263057149 /nfs/dbraw/zinc/05/71/49/263057149.db2.gz SVHFNYOPEMRJPP-MRXNPFEDSA-N 0 3 281.359 2.665 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCC2CCCC2)cc1 ZINC000279748597 263057253 /nfs/dbraw/zinc/05/72/53/263057253.db2.gz PZDDNSJAPKQAHQ-MRXNPFEDSA-N 0 3 281.359 2.547 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1C[C@H](O)C(C)(C)C1 ZINC000279953095 263058547 /nfs/dbraw/zinc/05/85/47/263058547.db2.gz XWFOPJIXHWEVFZ-HNNXBMFYSA-N 0 3 272.392 2.690 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280256466 263060067 /nfs/dbraw/zinc/06/00/67/263060067.db2.gz MFAXQORXUVITON-MRXNPFEDSA-N 0 3 299.418 2.702 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000340055263 263063800 /nfs/dbraw/zinc/06/38/00/263063800.db2.gz VAKBBWOGFDUBTN-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340093195 263068900 /nfs/dbraw/zinc/06/89/00/263068900.db2.gz CORLPECDDZONGJ-GOEBONIOSA-N 0 3 284.403 2.699 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000340093201 263068994 /nfs/dbraw/zinc/06/89/94/263068994.db2.gz CORLPECDDZONGJ-ZBFHGGJFSA-N 0 3 284.403 2.699 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000281456290 263069369 /nfs/dbraw/zinc/06/93/69/263069369.db2.gz FYUJRXQWZMTJAF-CPUCHLNUSA-N 0 3 295.386 2.745 20 30 CFEDHN CC[C@H]1CN(Cc2ccc(OCC#N)cc2)CCCO1 ZINC000281540388 263070115 /nfs/dbraw/zinc/07/01/15/263070115.db2.gz WUWYUDMMALNNEM-HNNXBMFYSA-N 0 3 274.364 2.590 20 30 CFEDHN CN1CCN([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000284323172 263086413 /nfs/dbraw/zinc/08/64/13/263086413.db2.gz PVCZPLPFQQJVIW-UKRRQHHQSA-N 0 3 255.365 2.631 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000284428777 263086956 /nfs/dbraw/zinc/08/69/56/263086956.db2.gz RUMPTVJUMNYJSA-PWSUYJOCSA-N 0 3 281.306 2.855 20 30 CFEDHN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000285160287 263090692 /nfs/dbraw/zinc/09/06/92/263090692.db2.gz PKAOHXMHUZSDMI-NVXWUHKLSA-N 0 3 287.407 2.654 20 30 CFEDHN C=CCCCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340205630 263092668 /nfs/dbraw/zinc/09/26/68/263092668.db2.gz ZZCKWXKOXNNXMU-QWRGUYRKSA-N 0 3 251.292 2.730 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@](C)(C#N)CC)C(C)C ZINC000285417767 263092837 /nfs/dbraw/zinc/09/28/37/263092837.db2.gz DMQROYIXPQCUIW-DOTOQJQBSA-N 0 3 291.439 2.741 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@H](OCc2ccncc2)C1 ZINC000287750611 263102536 /nfs/dbraw/zinc/10/25/36/263102536.db2.gz LPXCZNJWXQAFKZ-HNNXBMFYSA-N 0 3 273.380 2.612 20 30 CFEDHN CN1CCC(CC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000292255869 263130115 /nfs/dbraw/zinc/13/01/15/263130115.db2.gz SOWUDMQHRQFMOH-QGZVFWFLSA-N 0 3 299.418 2.880 20 30 CFEDHN COC(=O)c1ccc(CN(C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000292693545 263133878 /nfs/dbraw/zinc/13/38/78/263133878.db2.gz CSNOOVTYCWVIPT-UKRRQHHQSA-N 0 3 272.348 2.597 20 30 CFEDHN C[C@H]1CCN(CCOCCC#N)[C@@H](c2ccco2)C1 ZINC000292841271 263135525 /nfs/dbraw/zinc/13/55/25/263135525.db2.gz PQVDJVHDZJDXBY-UONOGXRCSA-N 0 3 262.353 2.983 20 30 CFEDHN N#CCCOCCN1CC[C@H](c2cccc(F)c2)C1 ZINC000292998506 263137018 /nfs/dbraw/zinc/13/70/18/263137018.db2.gz GPADNQDWSDZRGZ-AWEZNQCLSA-N 0 3 262.328 2.545 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(-n2cccn2)c(F)c1 ZINC000293056704 263137720 /nfs/dbraw/zinc/13/77/20/263137720.db2.gz UNBVGGCRKCKGAH-GFCCVEGCSA-N 0 3 272.327 2.966 20 30 CFEDHN CN(C)c1ccccc1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000293494153 263142080 /nfs/dbraw/zinc/14/20/80/263142080.db2.gz GUBMZKCNUYHARW-HIFRSBDPSA-N 0 3 257.381 2.877 20 30 CFEDHN CC[C@@H](NCCOCCC#N)c1ccc(OC)cc1 ZINC000293797911 263149464 /nfs/dbraw/zinc/14/94/64/263149464.db2.gz NCNWSGWCASKOMW-OAHLLOKOSA-N 0 3 262.353 2.666 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(SCC)cc1 ZINC000353562323 263163676 /nfs/dbraw/zinc/16/36/76/263163676.db2.gz BLWOKZNANQNMKY-DGCLKSJQSA-N 0 3 251.395 2.996 20 30 CFEDHN CC1(C)C[C@@H](O)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000295260749 263175090 /nfs/dbraw/zinc/17/50/90/263175090.db2.gz DEBMPFRMWCTQKP-HNNXBMFYSA-N 0 3 288.391 2.572 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(OCC#N)cc2)CC1(C)C ZINC000295978855 263184119 /nfs/dbraw/zinc/18/41/19/263184119.db2.gz KXWAMKYOZUPTTN-INIZCTEOSA-N 0 3 288.391 2.836 20 30 CFEDHN COC(=O)c1coc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296388383 263190981 /nfs/dbraw/zinc/19/09/81/263190981.db2.gz JZOFFUHNAINZOG-MDZLAQPJSA-N 0 3 276.336 2.799 20 30 CFEDHN C[C@H](CCC#N)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000298497425 263220826 /nfs/dbraw/zinc/22/08/26/263220826.db2.gz JXMSJKMOKBVFOP-GFCCVEGCSA-N 0 3 261.325 2.761 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000298563963 263222019 /nfs/dbraw/zinc/22/20/19/263222019.db2.gz PSRRVEQEDUSLMD-INIZCTEOSA-N 0 3 286.419 2.996 20 30 CFEDHN CCN(CC#N)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000299282556 263237467 /nfs/dbraw/zinc/23/74/67/263237467.db2.gz CYXLRXRVPTVYRU-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN CC(C)(NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000299546597 263246287 /nfs/dbraw/zinc/24/62/87/263246287.db2.gz BEPCIZAAPRFYOY-UHFFFAOYSA-N 0 3 299.418 2.854 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353626665 263276892 /nfs/dbraw/zinc/27/68/92/263276892.db2.gz YJWMHMDKFPJMEI-DZGCQCFKSA-N 0 3 277.412 2.805 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(OC)cc1OC ZINC000341880494 263362590 /nfs/dbraw/zinc/36/25/90/263362590.db2.gz PSNUGCYPIJBDLA-OLZOCXBDSA-N 0 3 279.380 2.539 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000341884562 263363387 /nfs/dbraw/zinc/36/33/87/263363387.db2.gz VSGGLRWOOHSGPZ-QWRGUYRKSA-N 0 3 255.308 2.800 20 30 CFEDHN CC[C@@H](C)[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1 ZINC000341911496 263366192 /nfs/dbraw/zinc/36/61/92/263366192.db2.gz VAMGWHOFOLJMRM-ABAIWWIYSA-N 0 3 293.798 2.657 20 30 CFEDHN COCC1(C#N)CCN([C@H](C)c2ccccc2)CC1 ZINC000341985942 263380950 /nfs/dbraw/zinc/38/09/50/263380950.db2.gz YCIXKLFIJUKLPB-CQSZACIVSA-N 0 3 258.365 3.000 20 30 CFEDHN COCC1(C#N)CCN(CC2(OC)CCCCC2)CC1 ZINC000342835409 263516317 /nfs/dbraw/zinc/51/63/17/263516317.db2.gz FLGPOMHPYDPCJT-UHFFFAOYSA-N 0 3 280.412 2.588 20 30 CFEDHN O=C(N[C@@H](CO)CC1CCCC1)C1CCN(C2CC2)CC1 ZINC000328667290 263835484 /nfs/dbraw/zinc/83/54/84/263835484.db2.gz DJWPQPOHGFVNDL-OAHLLOKOSA-N 0 3 294.439 2.759 20 30 CFEDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2csnn2)C1 ZINC000330695259 264005081 /nfs/dbraw/zinc/00/50/81/264005081.db2.gz JCSRKESKBBZKMT-NSHDSACASA-N 0 3 296.440 2.743 20 30 CFEDHN Cc1nc(C)c(C(=O)NCCN2CCCC[C@@H]2C)nc1C ZINC000330907644 264074482 /nfs/dbraw/zinc/07/44/82/264074482.db2.gz FGZWPMIYSRYKGI-NSHDSACASA-N 0 3 290.411 2.581 20 30 CFEDHN CC(C)Oc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000330893469 264077483 /nfs/dbraw/zinc/07/74/83/264077483.db2.gz DWHRJHAQQHOQTQ-TZMCWYRMSA-N 0 3 291.395 2.656 20 30 CFEDHN Cc1noc(C)c1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000330997132 264105191 /nfs/dbraw/zinc/10/51/91/264105191.db2.gz OWPNCVCHCDRBCJ-UHFFFAOYSA-N 0 3 294.399 2.643 20 30 CFEDHN C=CCC[C@@H](C)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000425353090 264124611 /nfs/dbraw/zinc/12/46/11/264124611.db2.gz LAYMMIVFGHWAJN-GFCCVEGCSA-N 0 3 292.379 2.587 20 30 CFEDHN CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000331229872 264152573 /nfs/dbraw/zinc/15/25/73/264152573.db2.gz GVDYMRACSAUTOY-GFCCVEGCSA-N 0 3 262.353 2.571 20 30 CFEDHN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000331229872 264152574 /nfs/dbraw/zinc/15/25/74/264152574.db2.gz GVDYMRACSAUTOY-GFCCVEGCSA-N 0 3 262.353 2.571 20 30 CFEDHN COc1cccc(C)c1NC(=O)NCC1=CCN(C)CC1 ZINC000331328948 264191277 /nfs/dbraw/zinc/19/12/77/264191277.db2.gz RHUIJIXJQCDIRC-UHFFFAOYSA-N 0 3 289.379 2.591 20 30 CFEDHN C=CCC[C@@H](O)C[N@@H+](CCC)Cc1ccccc1[O-] ZINC000126237457 264211014 /nfs/dbraw/zinc/21/10/14/264211014.db2.gz CDNDEAOKBJGTAH-OAHLLOKOSA-N 0 3 263.381 2.931 20 30 CFEDHN C=CCC[C@@H](O)C[N@H+](CCC)Cc1ccccc1[O-] ZINC000126237457 264211018 /nfs/dbraw/zinc/21/10/18/264211018.db2.gz CDNDEAOKBJGTAH-OAHLLOKOSA-N 0 3 263.381 2.931 20 30 CFEDHN C=CCC1(CNC(=O)C23CCCN2CCC3)CCCC1 ZINC000456513584 264232448 /nfs/dbraw/zinc/23/24/48/264232448.db2.gz VVGACWXNZNGWGQ-UHFFFAOYSA-N 0 3 276.424 2.868 20 30 CFEDHN C=CCNC(=O)[C@@H](C)NCC1(c2ccccc2)CCCC1 ZINC000073693061 264297448 /nfs/dbraw/zinc/29/74/48/264297448.db2.gz YPXQQUBRRBCJIJ-OAHLLOKOSA-N 0 3 286.419 2.779 20 30 CFEDHN C[C@H](NCCOCC(F)F)c1ccc(OCC#N)cc1 ZINC000189843259 264334755 /nfs/dbraw/zinc/33/47/55/264334755.db2.gz FMZWRUNVERYHBH-NSHDSACASA-N 0 3 284.306 2.521 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000076734136 264342880 /nfs/dbraw/zinc/34/28/80/264342880.db2.gz GJYHMLMTTVSOGA-AWEZNQCLSA-N 0 3 260.381 2.762 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCCc1cccs1 ZINC000076735476 264344215 /nfs/dbraw/zinc/34/42/15/264344215.db2.gz AGZYYYWSMBWYRK-CYBMUJFWSA-N 0 3 280.437 2.693 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000280624861 264456217 /nfs/dbraw/zinc/45/62/17/264456217.db2.gz LLMBOXJLMWLFNV-CJNGLKHVSA-N 0 3 261.365 2.771 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457097926 264504731 /nfs/dbraw/zinc/50/47/31/264504731.db2.gz SPNZWNNVPWROQL-UONOGXRCSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000320782752 265034599 /nfs/dbraw/zinc/03/45/99/265034599.db2.gz RPEKXBOPMDDHMX-DGCLKSJQSA-N 0 3 264.325 2.573 20 30 CFEDHN N#Cc1csc(CNCCN2CCCCCC2)c1 ZINC000093492255 265182125 /nfs/dbraw/zinc/18/21/25/265182125.db2.gz SUJXDVWSCCNRTO-UHFFFAOYSA-N 0 3 263.410 2.585 20 30 CFEDHN CC(C)CCOCCNCc1cc(C#N)cs1 ZINC000093492566 265183202 /nfs/dbraw/zinc/18/32/02/265183202.db2.gz GRQRVOGNOGSVAD-UHFFFAOYSA-N 0 3 252.383 2.772 20 30 CFEDHN COC(=O)C[C@](C)(NCCCCC#N)c1cccc(F)c1 ZINC000353165845 266035445 /nfs/dbraw/zinc/03/54/45/266035445.db2.gz JBEJOZTUAJKVBM-INIZCTEOSA-N 0 3 292.354 2.887 20 30 CFEDHN C=C(CNCc1c[nH]c2nccnc12)c1ccccc1 ZINC000356172525 266062602 /nfs/dbraw/zinc/06/26/02/266062602.db2.gz VQRQLVQYGZKMKC-UHFFFAOYSA-N 0 3 264.332 2.713 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000356258828 266081938 /nfs/dbraw/zinc/08/19/38/266081938.db2.gz SPIFFUDTGGEVGW-YSVLISHTSA-N 0 3 287.407 2.734 20 30 CFEDHN CCN(CCOCCC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000293556746 266127453 /nfs/dbraw/zinc/12/74/53/266127453.db2.gz RRSJPTRCDHBLFG-CQSZACIVSA-N 0 3 271.364 2.871 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)C1CCC1 ZINC000357028100 266235189 /nfs/dbraw/zinc/23/51/89/266235189.db2.gz AWJDIEIRQDVIOA-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)C(F)(F)F)cc1 ZINC000357055982 266239783 /nfs/dbraw/zinc/23/97/83/266239783.db2.gz WZSZJZABODPMNJ-GZMMTYOYSA-N 0 3 286.253 2.574 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357280150 266270729 /nfs/dbraw/zinc/27/07/29/266270729.db2.gz GSDBLJPSCNVNSE-LZWOXQAQSA-N 0 3 289.423 2.860 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357280151 266270923 /nfs/dbraw/zinc/27/09/23/266270923.db2.gz GSDBLJPSCNVNSE-OFQRWUPVSA-N 0 3 289.423 2.860 20 30 CFEDHN COc1ccccc1C[C@@H](NC(=O)C(C)C#N)C(C)C ZINC000357311806 266273100 /nfs/dbraw/zinc/27/31/00/266273100.db2.gz XJHDBFIDLGBMBI-GXTWGEPZSA-N 0 3 274.364 2.538 20 30 CFEDHN C=C(C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000357311134 266273429 /nfs/dbraw/zinc/27/34/29/266273429.db2.gz NZPVELOTRUBNLC-ZBFHGGJFSA-N 0 3 289.423 2.862 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000357545362 266318726 /nfs/dbraw/zinc/31/87/26/266318726.db2.gz OSDHTSJQJQHJST-OLZOCXBDSA-N 0 3 279.384 2.536 20 30 CFEDHN C=CCN(CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000357557294 266324127 /nfs/dbraw/zinc/32/41/27/266324127.db2.gz XUZBGPFFYPCZLL-UHFFFAOYSA-N 0 3 269.348 2.537 20 30 CFEDHN C=CCN(C(=O)NCc1ccc(CN(C)C)cc1)C1CC1 ZINC000357575366 266327470 /nfs/dbraw/zinc/32/74/70/266327470.db2.gz XPAHLSRZCNITTK-UHFFFAOYSA-N 0 3 287.407 2.608 20 30 CFEDHN C=CCN(C(=O)NCCN1CCCC[C@H]1CC)C1CC1 ZINC000357587662 266332436 /nfs/dbraw/zinc/33/24/36/266332436.db2.gz JOPRLBPASNLBGC-CQSZACIVSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)COc1cc(CNC[C@H](O)C2CC2)ccc1OC ZINC000357763219 266356840 /nfs/dbraw/zinc/35/68/40/266356840.db2.gz NXGXIYVCIVFVOZ-HNNXBMFYSA-N 0 3 291.391 2.511 20 30 CFEDHN COc1ccccc1C1(CNC(=O)C(C)C#N)CCCC1 ZINC000357803793 266368127 /nfs/dbraw/zinc/36/81/27/266368127.db2.gz WFRKXMWNVGXJBT-ZDUSSCGKSA-N 0 3 286.375 2.783 20 30 CFEDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(C)(C)C#N)N(C)C ZINC000357869270 266380267 /nfs/dbraw/zinc/38/02/67/266380267.db2.gz MBWZWOBTKDQMCM-DZGCQCFKSA-N 0 3 287.407 2.652 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CC)CC1 ZINC000358188831 266435968 /nfs/dbraw/zinc/43/59/68/266435968.db2.gz MGNIWQDDGBYPCW-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN CC1(C#N)CCN(CCc2ccc3c(c2)OCCO3)CC1 ZINC000360212803 266694432 /nfs/dbraw/zinc/69/44/32/266694432.db2.gz LCDQFZUUAXUBFT-UHFFFAOYSA-N 0 3 286.375 2.626 20 30 CFEDHN CC(C#N)C(=O)NCc1ccncc1OCCC(C)(C)C ZINC000360654471 266732156 /nfs/dbraw/zinc/73/21/56/266732156.db2.gz ZKIDQJSAEMMMGH-LBPRGKRZSA-N 0 3 289.379 2.672 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H]2CC)CC1 ZINC000362518929 267000319 /nfs/dbraw/zinc/00/03/19/267000319.db2.gz NHIMVXGBXNNQIH-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C[C@@H](C)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000362614481 267022787 /nfs/dbraw/zinc/02/27/87/267022787.db2.gz PFQPAKXGFJBRHX-CYBMUJFWSA-N 0 3 272.392 2.975 20 30 CFEDHN C#CCCN1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000363148018 267076742 /nfs/dbraw/zinc/07/67/42/267076742.db2.gz DSNLJCVRJBIJAB-IRXDYDNUSA-N 0 3 288.435 2.655 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCOCC[C@@H]2C)cc1 ZINC000367707537 267112208 /nfs/dbraw/zinc/11/22/08/267112208.db2.gz PNPJIYLPQFIDDW-UONOGXRCSA-N 0 3 274.364 2.588 20 30 CFEDHN C=CCCOCCNc1ccncc1-c1cccnc1 ZINC000367843476 267121816 /nfs/dbraw/zinc/12/18/16/267121816.db2.gz RKHXGFWOSLIXRC-UHFFFAOYSA-N 0 3 269.348 2.570 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]3COC[C@H]32)cc1 ZINC000369216647 267226584 /nfs/dbraw/zinc/22/65/84/267226584.db2.gz VNIHUNOJWNYLKD-JLJPHGGASA-N 0 3 286.375 2.588 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2CCCCCC[C@@H]21 ZINC000369462198 267244139 /nfs/dbraw/zinc/24/41/39/267244139.db2.gz JSNMSHFOAGBANZ-OAGGEKHMSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(=O)N1CC[C@H](NCCCC#N)c2ccc(F)cc2C1 ZINC000369897060 267273882 /nfs/dbraw/zinc/27/38/82/267273882.db2.gz HAYCJNVHFZVVQU-INIZCTEOSA-N 0 3 289.354 2.512 20 30 CFEDHN Cc1cccc(NC[C@H]2CCCN2CCCC#N)n1 ZINC000369899093 267275027 /nfs/dbraw/zinc/27/50/27/267275027.db2.gz DRGFOWZHUSRQLE-CQSZACIVSA-N 0 3 258.369 2.570 20 30 CFEDHN CC(C)(C#N)CCCN1CCC(NC(=O)C2CCC2)CC1 ZINC000370001887 267281616 /nfs/dbraw/zinc/28/16/16/267281616.db2.gz KTKMIXYARTZRLX-UHFFFAOYSA-N 0 3 291.439 2.697 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H](CC(C)C)C1 ZINC000119371407 267324868 /nfs/dbraw/zinc/32/48/68/267324868.db2.gz IDPXEAQDHMIWJE-HNNXBMFYSA-N 0 3 279.428 2.507 20 30 CFEDHN COC(=O)CCC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000531002131 267359163 /nfs/dbraw/zinc/35/91/63/267359163.db2.gz BOXUXEJESHOYTF-UHFFFAOYSA-N 0 3 286.375 2.723 20 30 CFEDHN N#CC1(CNC2CCN(CCC(F)(F)F)CC2)CCC1 ZINC000418143112 267365211 /nfs/dbraw/zinc/36/52/11/267365211.db2.gz OVYGSWUNNKGETB-UHFFFAOYSA-N 0 3 289.345 2.687 20 30 CFEDHN N#CC1(CN[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCC1 ZINC000418145407 267366636 /nfs/dbraw/zinc/36/66/36/267366636.db2.gz XWORUXVDAIBBCA-SOUVJXGZSA-N 0 3 262.397 2.865 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCC1(C#N)CCC1 ZINC000418135383 267367292 /nfs/dbraw/zinc/36/72/92/267367292.db2.gz AONDFZSUKTXVQD-RDJZCZTQSA-N 0 3 283.419 2.790 20 30 CFEDHN C[C@H](Cn1cccn1)N[C@H](CCC#N)c1ccccc1 ZINC000123163520 268004476 /nfs/dbraw/zinc/00/44/76/268004476.db2.gz SLAUZCAUQQALCY-GDBMZVCRSA-N 0 3 268.364 2.906 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COCc1ccccc1Cl ZINC000305842584 268008827 /nfs/dbraw/zinc/00/88/27/268008827.db2.gz ZXUIXNQHTMBDSW-AWEZNQCLSA-N 0 3 283.799 2.725 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H]2CCN2C2CCCC2)n1 ZINC000528212372 268029465 /nfs/dbraw/zinc/02/94/65/268029465.db2.gz WVTDOOUKXSOXJH-HNNXBMFYSA-N 0 3 270.380 2.691 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCC23CCCC3)CC1 ZINC000377039435 268042469 /nfs/dbraw/zinc/04/24/69/268042469.db2.gz HWJCBXUVWRAJFI-UHFFFAOYSA-N 0 3 291.439 2.755 20 30 CFEDHN C=CCCCCCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000377045906 268043296 /nfs/dbraw/zinc/04/32/96/268043296.db2.gz KZDZMMMIESWIAM-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000377100855 268047461 /nfs/dbraw/zinc/04/74/61/268047461.db2.gz RAXFFPFRMQMJLM-DOTOQJQBSA-N 0 3 284.403 2.569 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@@H]1CCCc2cccnc21 ZINC000377247967 268060269 /nfs/dbraw/zinc/06/02/69/268060269.db2.gz CVHHOYDUVJYKCD-HUUCEWRRSA-N 0 3 260.381 2.718 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC3(C2)CCCC3)cc1 ZINC000336521480 268084008 /nfs/dbraw/zinc/08/40/08/268084008.db2.gz NQDODTXBBJKIQD-INIZCTEOSA-N 0 3 293.370 2.643 20 30 CFEDHN N#Cc1ccc(NC(=O)NC[C@H]2CCN2C2CCCC2)cc1 ZINC000528862550 268245225 /nfs/dbraw/zinc/24/52/25/268245225.db2.gz SUVICKGAUCPWCK-MRXNPFEDSA-N 0 3 298.390 2.697 20 30 CFEDHN C[C@H](Cn1cccn1)NCC#Cc1cccc(Cl)c1 ZINC000269477594 274499887 /nfs/dbraw/zinc/49/98/87/274499887.db2.gz NJONMEJBMCIJMB-CYBMUJFWSA-N 0 3 273.767 2.566 20 30 CFEDHN N#Cc1cc(N2CC[C@@H](N3CC=CC3)C2)c2ccccc2n1 ZINC000301419090 274920373 /nfs/dbraw/zinc/92/03/73/274920373.db2.gz BQBOBOSCYJAAPA-OAHLLOKOSA-N 0 3 290.370 2.557 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)N1CCc2c1cccc2C#N ZINC000421960929 275951934 /nfs/dbraw/zinc/95/19/34/275951934.db2.gz FFSXNUIUQGMTKP-GFCCVEGCSA-N 0 3 285.391 2.614 20 30 CFEDHN CC(C)[C@@H](CNc1ncc(C#N)cc1F)N1CCCC1 ZINC000413037622 275983080 /nfs/dbraw/zinc/98/30/80/275983080.db2.gz GACRLULDYDWNQR-CQSZACIVSA-N 0 3 276.359 2.625 20 30 CFEDHN CC[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302205696 276425358 /nfs/dbraw/zinc/42/53/58/276425358.db2.gz JYHOQPOGHMSGES-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN CC[C@@H]1CCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419241834 276551562 /nfs/dbraw/zinc/55/15/62/276551562.db2.gz SCBAMTSWLWYUSB-FVQBIDKESA-N 0 3 285.391 2.501 20 30 CFEDHN CN(C)[C@@H](CNc1cccc(C#N)n1)Cc1ccccc1 ZINC000301287882 276827874 /nfs/dbraw/zinc/82/78/74/276827874.db2.gz RQIBNUNTJBCQDI-MRXNPFEDSA-N 0 3 280.375 2.538 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000180088164 277863946 /nfs/dbraw/zinc/86/39/46/277863946.db2.gz XZVYYSFGBUUVDW-INIZCTEOSA-N 0 3 274.408 2.974 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](c1ccccc1)c1ccccn1 ZINC000352979394 277887795 /nfs/dbraw/zinc/88/77/95/277887795.db2.gz JGNVZPKZNPOVPW-YJBOKZPZSA-N 0 3 282.387 2.945 20 30 CFEDHN CS[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000272021265 278156396 /nfs/dbraw/zinc/15/63/96/278156396.db2.gz LOGDOKSVSIHPLK-UHOFOFEASA-N 0 3 289.448 2.597 20 30 CFEDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccc(C#N)cc1 ZINC000355417472 278236054 /nfs/dbraw/zinc/23/60/54/278236054.db2.gz YUCSVROXTFVDRS-MCIONIFRSA-N 0 3 285.391 2.608 20 30 CFEDHN CC1CCC(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115598090 278520018 /nfs/dbraw/zinc/52/00/18/278520018.db2.gz BXCROOMWKVNMGP-PXCJXSSVSA-N 0 3 285.391 2.501 20 30 CFEDHN CC[C@H](N[C@H](C)[C@@H](CO)SC)c1ccc(C#N)cc1 ZINC000278799744 288078808 /nfs/dbraw/zinc/07/88/08/288078808.db2.gz RBUHYACZPKXRSC-BYCMXARLSA-N 0 3 278.421 2.711 20 30 CFEDHN C[C@@H]1N(CC#Cc2ccccc2)CCC12CCOCC2 ZINC000336620759 279025077 /nfs/dbraw/zinc/02/50/77/279025077.db2.gz CIXWOBPLQJIVRH-INIZCTEOSA-N 0 3 269.388 2.929 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347613211 279172524 /nfs/dbraw/zinc/17/25/24/279172524.db2.gz GWXIJZDJVJDNED-GJZGRUSLSA-N 0 3 293.455 2.895 20 30 CFEDHN CCN(CCCN(C)C)c1cc(C#N)ccc1C(C)=O ZINC000230717882 279179255 /nfs/dbraw/zinc/17/92/55/279179255.db2.gz SUFTXGQOHQQKCP-UHFFFAOYSA-N 0 3 273.380 2.539 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(C#N)cc1F ZINC000286296683 279952300 /nfs/dbraw/zinc/95/23/00/279952300.db2.gz JDIHHFVHSONVBF-GXTWGEPZSA-N 0 3 273.355 2.760 20 30 CFEDHN CC(C)[C@H](CCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000358559917 280233811 /nfs/dbraw/zinc/23/38/11/280233811.db2.gz DXFGCJIARJEWQQ-ABAIWWIYSA-N 0 3 264.344 2.755 20 30 CFEDHN Cc1cc(C#N)cc(NC[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC000339970352 280313514 /nfs/dbraw/zinc/31/35/14/280313514.db2.gz RMAPDGBFCNUOKD-MRXNPFEDSA-N 0 3 298.365 2.538 20 30 CFEDHN C[C@@H]1CN(c2cccc(F)c2C#N)CCN(C2CC2)C1 ZINC000295051028 288264853 /nfs/dbraw/zinc/26/48/53/288264853.db2.gz XZWNRZURZXTOKV-LBPRGKRZSA-N 0 3 273.355 2.618 20 30 CFEDHN Cc1ccc(NC[C@@H](c2ccccc2)N(C)C)nc1C#N ZINC000302722840 280915925 /nfs/dbraw/zinc/91/59/25/280915925.db2.gz QCCZMFOTUCUDOC-INIZCTEOSA-N 0 3 280.375 2.977 20 30 CFEDHN CC1(C)CCC[C@@H]1CN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419207038 281026004 /nfs/dbraw/zinc/02/60/04/281026004.db2.gz LUYRGWBHYMUBDI-CABCVRRESA-N 0 3 285.391 2.501 20 30 CFEDHN COC(=O)[C@@]1(C)CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249088486 281047298 /nfs/dbraw/zinc/04/72/98/281047298.db2.gz CNVNYOUVHWPVLC-LRDDRELGSA-N 0 3 272.348 2.504 20 30 CFEDHN C[C@](O)(CN[C@H]1CCCc2cc(C#N)ccc21)C(F)(F)F ZINC000553335927 281875543 /nfs/dbraw/zinc/87/55/43/281875543.db2.gz ZYKCOTGUMNVYLM-KBPBESRZSA-N 0 3 298.308 2.839 20 30 CFEDHN CC[C@@H]1CC[C@@H]1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000558273914 281979908 /nfs/dbraw/zinc/97/99/08/281979908.db2.gz WNEXFLULWFTALN-HYVNUMGLSA-N 0 3 297.402 2.832 20 30 CFEDHN N#Cc1cccc(N2CCN([C@H]3C=CCCCCC3)CC2)n1 ZINC000559156094 282002612 /nfs/dbraw/zinc/00/26/12/282002612.db2.gz ZYJJXETXNSTGFF-KRWDZBQOSA-N 0 3 296.418 2.964 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000336444296 289235311 /nfs/dbraw/zinc/23/53/11/289235311.db2.gz UNOCBGBUGMHZNT-UKRRQHHQSA-N 0 3 256.349 2.770 20 30 CFEDHN C[C@H](C[S@@](C)=O)N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360882956 289739324 /nfs/dbraw/zinc/73/93/24/289739324.db2.gz HWOQGJAUUFNWBR-ADYAMRHXSA-N 0 3 290.432 2.682 20 30 CFEDHN CC1(C2(NCc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000562523123 290050837 /nfs/dbraw/zinc/05/08/37/290050837.db2.gz RKKPCAZWRAKKIE-UHFFFAOYSA-N 0 3 266.348 2.628 20 30 CFEDHN CC1(C2CC2)CCN(Cc2ccc(C#N)cn2)CC1 ZINC000564098456 290193145 /nfs/dbraw/zinc/19/31/45/290193145.db2.gz PFMQJAOMUYIUFZ-UHFFFAOYSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC2(CCN(C)C2=O)CC1 ZINC000376030732 290218750 /nfs/dbraw/zinc/21/87/50/290218750.db2.gz FMNSSQIVHZFMJE-CQSZACIVSA-N 0 3 297.402 2.564 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCc1cccc(C#N)c1 ZINC000564843757 290239066 /nfs/dbraw/zinc/23/90/66/290239066.db2.gz FRSNEKRNYVAACV-KSSFIOAISA-N 0 3 280.371 2.812 20 30 CFEDHN CC[C@]1(C(C)C)C[C@@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000568885211 290576003 /nfs/dbraw/zinc/57/60/03/290576003.db2.gz WIUHKXVGQZKTPB-GOEBONIOSA-N 0 3 283.379 2.515 20 30 CFEDHN CO[C@H](C)CN(Cc1ccc(C#N)s1)C(C)C ZINC000353774662 294269194 /nfs/dbraw/zinc/26/91/94/294269194.db2.gz IOTCIBCOFWGNMJ-LLVKDONJSA-N 0 3 252.383 2.865 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001085480903 782074740 /nfs/dbraw/zinc/07/47/40/782074740.db2.gz VWUIWOYWPWGMHJ-HZPDHXFCSA-N 0 3 276.424 2.842 20 30 CFEDHN Cc1ccc(N2CC[C@H](N[C@H]3CCC[C@H](C#N)C3)C2=O)cc1 ZINC000185834328 327847314 /nfs/dbraw/zinc/84/73/14/327847314.db2.gz IJHOGVKYCMMZOS-ZOBUZTSGSA-N 0 3 297.402 2.772 20 30 CFEDHN N#CC1(c2ccccc2)CC(N[C@@H]2CCSC2)C1 ZINC000219194547 327928805 /nfs/dbraw/zinc/92/88/05/327928805.db2.gz MDHNEIVCXJARRD-WLYUNCDWSA-N 0 3 258.390 2.705 20 30 CFEDHN C=CCCCCCNC(=O)CCN(C)c1ccncc1 ZINC000563402529 328062692 /nfs/dbraw/zinc/06/26/92/328062692.db2.gz FTDBZSSQQYZGQJ-UHFFFAOYSA-N 0 3 275.396 2.771 20 30 CFEDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCC(C)(C)CCC#N)C1 ZINC000378023643 329037310 /nfs/dbraw/zinc/03/73/10/329037310.db2.gz CVUNQZWNJJPNOU-INIZCTEOSA-N 0 3 297.418 2.645 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCC(C)(C)CC2)nn1 ZINC000563634752 328079266 /nfs/dbraw/zinc/07/92/66/328079266.db2.gz FUGAOSIUOMBYKF-ZDUSSCGKSA-N 0 3 262.401 2.913 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)Nc1ccc(CN(C)C)cc1F ZINC000412583071 328112682 /nfs/dbraw/zinc/11/26/82/328112682.db2.gz SYSUMPIOHJXXAY-HNNXBMFYSA-N 0 3 277.343 2.766 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(CSCC#N)n2)cc1 ZINC000267013270 328171497 /nfs/dbraw/zinc/17/14/97/328171497.db2.gz AHFLNIDHEWYVLJ-UHFFFAOYSA-N 0 3 288.376 2.555 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(C(F)(F)F)c(C)c1 ZINC000414449444 328176862 /nfs/dbraw/zinc/17/68/62/328176862.db2.gz COKKIQOPOMTEJN-NSHDSACASA-N 0 3 259.271 2.650 20 30 CFEDHN CO[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000268983051 328188009 /nfs/dbraw/zinc/18/80/09/328188009.db2.gz PSTUJJSVYYQGIQ-AWEZNQCLSA-N 0 3 258.365 2.708 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H](C)C1CC1)C(C)C ZINC000175332358 329164963 /nfs/dbraw/zinc/16/49/63/329164963.db2.gz QQWLMOALBLFHHX-GOEBONIOSA-N 0 3 278.440 2.847 20 30 CFEDHN C=C(C)[C@@H](NCCCC(=O)NC)c1ccc(F)c(F)c1 ZINC000582793994 329211068 /nfs/dbraw/zinc/21/10/68/329211068.db2.gz XUFHXJVLGSJNQC-OAHLLOKOSA-N 0 3 282.334 2.698 20 30 CFEDHN CC(C)(CNC(=O)c1ccc(CC#N)cc1)N1CCCCC1 ZINC000340063238 328236944 /nfs/dbraw/zinc/23/69/44/328236944.db2.gz KYTVLUIVVJPYFB-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000181118432 329226349 /nfs/dbraw/zinc/22/63/49/329226349.db2.gz QHYKESIUKMGMOD-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)CCCC#N ZINC000292228137 328268979 /nfs/dbraw/zinc/26/89/79/328268979.db2.gz ISRVRMKTWKMFKL-UHFFFAOYSA-N 0 3 259.353 2.689 20 30 CFEDHN N#CCCOCCN(Cc1cccc(O)c1)CC1CC1 ZINC000293264130 328274877 /nfs/dbraw/zinc/27/48/77/328274877.db2.gz XRIDLSKRTDLGOE-UHFFFAOYSA-N 0 3 274.364 2.534 20 30 CFEDHN COC[C@H](c1ccc(Cl)cc1)N(C)CCOCCC#N ZINC000293985279 328278897 /nfs/dbraw/zinc/27/88/97/328278897.db2.gz FDAFXXVUKPGTTG-OAHLLOKOSA-N 0 3 296.798 2.890 20 30 CFEDHN COc1cccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1[O-] ZINC000294912526 328283766 /nfs/dbraw/zinc/28/37/66/328283766.db2.gz AIUNPQQBXOADBB-AAEUAGOBSA-N 0 3 260.337 2.573 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536906 782092945 /nfs/dbraw/zinc/09/29/45/782092945.db2.gz MEOZEYMQJCMVHD-CYBMUJFWSA-N 0 3 278.440 2.777 20 30 CFEDHN C[C@@H](CCC#N)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000298629474 328296941 /nfs/dbraw/zinc/29/69/41/328296941.db2.gz VRDIPWNHAOUNAV-LBPRGKRZSA-N 0 3 261.325 2.761 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000298636716 328296991 /nfs/dbraw/zinc/29/69/91/328296991.db2.gz WJLOZKIGGVCHBO-GWCFXTLKSA-N 0 3 252.745 2.655 20 30 CFEDHN N#CC(C(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000048540399 328311063 /nfs/dbraw/zinc/31/10/63/328311063.db2.gz FLWATBMRTYBBAY-JTQLQIEISA-N 0 3 258.227 2.850 20 30 CFEDHN C#CCCCCNCc1cc(OC)ccc1OCOC ZINC000120540081 328344515 /nfs/dbraw/zinc/34/45/15/328344515.db2.gz XLTDRYJNKKEADS-UHFFFAOYSA-N 0 3 277.364 2.571 20 30 CFEDHN C=CCCN(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000341466471 328411627 /nfs/dbraw/zinc/41/16/27/328411627.db2.gz MVVVRFCCHHLXNF-UHFFFAOYSA-N 0 3 261.369 2.788 20 30 CFEDHN N#Cc1csc(CNCCN2CCc3ccccc3C2)c1 ZINC000177683105 323700696 /nfs/dbraw/zinc/70/06/96/323700696.db2.gz AJKIKIXCXSYHIC-UHFFFAOYSA-N 0 3 297.427 2.768 20 30 CFEDHN CN(CCNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000177689394 323701885 /nfs/dbraw/zinc/70/18/85/323701885.db2.gz VSPSYFWLJOFUPN-UHFFFAOYSA-N 0 3 285.416 2.841 20 30 CFEDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1ccc(C#N)cc1 ZINC000183060137 323898179 /nfs/dbraw/zinc/89/81/79/323898179.db2.gz FTCVGUNRBIXFBQ-NWDGAFQWSA-N 0 3 259.353 2.521 20 30 CFEDHN CO[C@H]([C@@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000388272473 324502581 /nfs/dbraw/zinc/50/25/81/324502581.db2.gz HCXXKIUKRUWWFO-MEBBXXQBSA-N 0 3 262.328 2.600 20 30 CFEDHN Cn1cc(CN[C@H]2CC23CC3)c(-c2ccc(C#N)cc2)n1 ZINC000578005464 324807101 /nfs/dbraw/zinc/80/71/01/324807101.db2.gz OCQMJWJXDNGELU-HNNXBMFYSA-N 0 3 278.359 2.601 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)C ZINC000580080859 325005184 /nfs/dbraw/zinc/00/51/84/325005184.db2.gz UFZRWEIKMINSOI-UHFFFAOYSA-N 0 3 261.325 2.944 20 30 CFEDHN CC[C@@H](C)[C@@H](C)N(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582726949 325229289 /nfs/dbraw/zinc/22/92/89/325229289.db2.gz UUSOEQHFOJUBNQ-CHWSQXEVSA-N 0 3 297.406 3.000 20 30 CFEDHN C[C@H]1CCCC[C@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000583061254 325256821 /nfs/dbraw/zinc/25/68/21/325256821.db2.gz QIWXDXBWZNRNKT-RDJZCZTQSA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583755885 325308764 /nfs/dbraw/zinc/30/87/64/325308764.db2.gz HJACHQKZOFNKDI-MFKMUULPSA-N 0 3 259.309 2.745 20 30 CFEDHN CCN1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC1=O ZINC000584154874 325334153 /nfs/dbraw/zinc/33/41/53/325334153.db2.gz NQBCUJPXSKCFBP-NVXWUHKLSA-N 0 3 297.402 2.536 20 30 CFEDHN COc1cc(CN[C@@H]2CCc3cc(N)ccc32)ccc1C#N ZINC000584302544 325345534 /nfs/dbraw/zinc/34/55/34/325345534.db2.gz HCHRNGBPKOSIKX-QGZVFWFLSA-N 0 3 293.370 2.926 20 30 CFEDHN C#CCOc1ccccc1CNCCSCC=C ZINC000222063301 327018665 /nfs/dbraw/zinc/01/86/65/327018665.db2.gz QQGVXEAMCUNJDX-UHFFFAOYSA-N 0 3 261.390 2.707 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2cccc(F)c2)CC1 ZINC000255904689 327027502 /nfs/dbraw/zinc/02/75/02/327027502.db2.gz HZYDYLLESMZFDI-SREVYHEPSA-N 0 3 288.366 2.606 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000076734665 327130703 /nfs/dbraw/zinc/13/07/03/327130703.db2.gz QLEKUHAAYJIWEX-AWEZNQCLSA-N 0 3 277.412 2.616 20 30 CFEDHN CC[C@H](CC#N)NCC/C=C/c1cncc(OC)c1 ZINC000572614003 327142443 /nfs/dbraw/zinc/14/24/43/327142443.db2.gz UBFNUPKVQZBORT-YVARQFDVSA-N 0 3 259.353 2.775 20 30 CFEDHN CC(=O)N1CC[C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000559784265 327261727 /nfs/dbraw/zinc/26/17/27/327261727.db2.gz XRGNGMCGUIOZDV-DZKIICNBSA-N 0 3 283.375 2.766 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/CC2(C)COC2)c([O-])c1 ZINC000112561697 327286884 /nfs/dbraw/zinc/28/68/84/327286884.db2.gz MNEKCTDNHWBIOC-RQZCQDPDSA-N 0 3 276.380 2.694 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000569617295 327307635 /nfs/dbraw/zinc/30/76/35/327307635.db2.gz YQIKIHWNYAAJKQ-CJNGLKHVSA-N 0 3 272.392 2.673 20 30 CFEDHN COC(=O)CCC[C@@H]1CCC[C@@H](NC[C@H](C)C#N)C1 ZINC000560496795 327315277 /nfs/dbraw/zinc/31/52/77/327315277.db2.gz KIGCWIIQKROAAP-HZSPNIEDSA-N 0 3 266.385 2.638 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@]2(CCSC2)C1 ZINC000564990404 327342151 /nfs/dbraw/zinc/34/21/51/327342151.db2.gz HVLFSEFWZFXJIV-CQSZACIVSA-N 0 3 268.426 2.524 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1cccc2c1CCNC2 ZINC000561045006 327360547 /nfs/dbraw/zinc/36/05/47/327360547.db2.gz JENPCFBPNNCPIC-UHFFFAOYSA-N 0 3 273.380 2.762 20 30 CFEDHN C[C@@H](C(=O)NCc1ccc(CC#N)cc1)N1CCCCCC1 ZINC000565005959 327363760 /nfs/dbraw/zinc/36/37/60/327363760.db2.gz AIOITDWGSGMEHZ-HNNXBMFYSA-N 0 3 299.418 2.633 20 30 CFEDHN CSCc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000569919481 327556010 /nfs/dbraw/zinc/55/60/10/327556010.db2.gz YQOOAVOCQXOTAM-CYBMUJFWSA-N 0 3 277.393 2.509 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N1[C@H](C)C[C@@H]1C)C(C)C ZINC000526825428 328813035 /nfs/dbraw/zinc/81/30/35/328813035.db2.gz KVEXMOJVGGINAV-OWCLPIDISA-N 0 3 293.455 2.877 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1[C@H](C)C[C@@H]1C)C(C)C ZINC000526825429 328813047 /nfs/dbraw/zinc/81/30/47/328813047.db2.gz KVEXMOJVGGINAV-XHSDSOJGSA-N 0 3 293.455 2.877 20 30 CFEDHN C#Cc1ccc(CN2CCCN(c3ccccn3)CC2)cc1 ZINC000377620186 329020969 /nfs/dbraw/zinc/02/09/69/329020969.db2.gz FSSZHSYBEIHTMD-UHFFFAOYSA-N 0 3 291.398 2.775 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(c3ccccc3C)CC2)CC1 ZINC000171716406 329078915 /nfs/dbraw/zinc/07/89/15/329078915.db2.gz DMORVRIYPZZQMX-UHFFFAOYSA-N 0 3 298.430 2.793 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000172173399 329081925 /nfs/dbraw/zinc/08/19/25/329081925.db2.gz JQDQMPGQLJFMTK-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN N#CCSCCCN1CCC[C@H](c2nccs2)C1 ZINC000173876679 329152989 /nfs/dbraw/zinc/15/29/89/329152989.db2.gz PWCUVOOLGPZIBN-LBPRGKRZSA-N 0 3 281.450 2.969 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC12CC2)C(C)C ZINC000425597949 329161978 /nfs/dbraw/zinc/16/19/78/329161978.db2.gz FIMPYGLKEXMVMC-LSDHHAIUSA-N 0 3 291.439 2.537 20 30 CFEDHN C=CCCCC(=O)NCCN(C)Cc1ccccc1 ZINC000175404381 329165714 /nfs/dbraw/zinc/16/57/14/329165714.db2.gz QOISHLZUYRUALC-UHFFFAOYSA-N 0 3 260.381 2.591 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000179729779 329208051 /nfs/dbraw/zinc/20/80/51/329208051.db2.gz FKYUEEHIWRTPJH-OAHLLOKOSA-N 0 3 299.418 2.648 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(C)ccc1OC ZINC000321021995 329214295 /nfs/dbraw/zinc/21/42/95/329214295.db2.gz OKQZNXFRLJETJM-ZIAGYGMSSA-N 0 3 263.381 2.981 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000181098303 329225950 /nfs/dbraw/zinc/22/59/50/329225950.db2.gz KAOCRTZNZJGAGL-KFWWJZLASA-N 0 3 279.428 2.609 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccccc1-n1cccn1 ZINC000183172669 329245199 /nfs/dbraw/zinc/24/51/99/329245199.db2.gz URICMCRCTAPRCV-CYBMUJFWSA-N 0 3 254.337 2.827 20 30 CFEDHN Cc1ccc(OC2CCN(CCCCC#N)CC2)nc1 ZINC000182849765 329245311 /nfs/dbraw/zinc/24/53/11/329245311.db2.gz ZJTGORFMJRQTDL-UHFFFAOYSA-N 0 3 273.380 2.927 20 30 CFEDHN C=CCN1CCC(NC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000183677201 329249271 /nfs/dbraw/zinc/24/92/71/329249271.db2.gz ANMCPMJOGDXKNG-ZIAGYGMSSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)C2C[C@H](C)C[C@H](C)C2)CC1 ZINC000183677168 329249314 /nfs/dbraw/zinc/24/93/14/329249314.db2.gz ANMCPMJOGDXKNG-YIONKMFJSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000183677183 329249441 /nfs/dbraw/zinc/24/94/41/329249441.db2.gz ANMCPMJOGDXKNG-KBPBESRZSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CC[C@@H](CO)NCc1cnc(-c2cccs2)s1 ZINC000184278033 329258453 /nfs/dbraw/zinc/25/84/53/329258453.db2.gz QAKQKEWZJGSFFN-JTQLQIEISA-N 0 3 280.418 2.898 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000184276497 329258486 /nfs/dbraw/zinc/25/84/86/329258486.db2.gz YLEVBJWSXSAZKF-CYBMUJFWSA-N 0 3 278.352 2.745 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000185034505 329265049 /nfs/dbraw/zinc/26/50/49/329265049.db2.gz UQHXZXOIHYDBTJ-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000185136871 329266561 /nfs/dbraw/zinc/26/65/61/329266561.db2.gz GIWYBRJUQQLSCN-ILXRZTDVSA-N 0 3 266.429 2.825 20 30 CFEDHN Cc1ccnc([C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000582854556 329280678 /nfs/dbraw/zinc/28/06/78/329280678.db2.gz RDGRZHXGABRKOM-RBSFLKMASA-N 0 3 255.365 2.872 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2ccccc2N2CCOCC2)C1 ZINC000185799635 329332007 /nfs/dbraw/zinc/33/20/07/329332007.db2.gz GUXVOJJACXTZCP-RDJZCZTQSA-N 0 3 299.418 2.695 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000186240199 329340090 /nfs/dbraw/zinc/34/00/90/329340090.db2.gz BRVCYROFMPYCMQ-WBVHZDCISA-N 0 3 278.440 2.825 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000583242966 329392787 /nfs/dbraw/zinc/39/27/87/329392787.db2.gz WZLVIRWZAHWXQV-VXGBXAGGSA-N 0 3 292.345 2.952 20 30 CFEDHN C=CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192018730 329425034 /nfs/dbraw/zinc/42/50/34/329425034.db2.gz BONXSPSPDGGUMK-INIZCTEOSA-N 0 3 270.376 2.838 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)CCC)CC1 ZINC000116547386 329557032 /nfs/dbraw/zinc/55/70/32/329557032.db2.gz RISMTADHFZXOGZ-UHFFFAOYSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CCCN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261674325 329977066 /nfs/dbraw/zinc/97/70/66/329977066.db2.gz JKSIDSAWVZZBCW-AWEZNQCLSA-N 0 3 250.773 2.862 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000421713192 330069542 /nfs/dbraw/zinc/06/95/42/330069542.db2.gz SABZZHZDMZXEIX-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccncc1Cl ZINC000421855646 330089194 /nfs/dbraw/zinc/08/91/94/330089194.db2.gz MVKSIPFXYKTTTP-WDEREUQCSA-N 0 3 254.761 2.713 20 30 CFEDHN C=CC[C@H](C)[C@H](C)Nc1ccc(N2CCNCC2)cn1 ZINC000423232064 330180646 /nfs/dbraw/zinc/18/06/46/330180646.db2.gz MGTMVSOECZESQB-KBPBESRZSA-N 0 3 274.412 2.504 20 30 CFEDHN CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CCCC#N ZINC000424065912 330219260 /nfs/dbraw/zinc/21/92/60/330219260.db2.gz MFDYGSQNSLPIFV-LLVKDONJSA-N 0 3 299.827 2.771 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424072083 330220315 /nfs/dbraw/zinc/22/03/15/330220315.db2.gz WVROPRGMRXXNAR-KBPBESRZSA-N 0 3 293.798 2.928 20 30 CFEDHN C[C@@H](c1c(F)cccc1F)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424089787 330224654 /nfs/dbraw/zinc/22/46/54/330224654.db2.gz IHFMEWFXXWPMJH-GWCFXTLKSA-N 0 3 295.333 2.505 20 30 CFEDHN N#CC1(NC(=O)CN(CC2CCCCC2)C2CC2)CCC1 ZINC000527128222 330224884 /nfs/dbraw/zinc/22/48/84/330224884.db2.gz VZPPDUTXFOCSOH-UHFFFAOYSA-N 0 3 289.423 2.594 20 30 CFEDHN CC(C)CN(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424096250 330227296 /nfs/dbraw/zinc/22/72/96/330227296.db2.gz ORIFEXGAKMERQG-MRXNPFEDSA-N 0 3 287.407 2.692 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424103003 330233562 /nfs/dbraw/zinc/23/35/62/330233562.db2.gz RWPSVIBDHCOZBN-HZSPNIEDSA-N 0 3 279.428 2.729 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424103005 330233639 /nfs/dbraw/zinc/23/36/39/330233639.db2.gz RWPSVIBDHCOZBN-MCIONIFRSA-N 0 3 279.428 2.729 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000424112309 330240230 /nfs/dbraw/zinc/24/02/30/330240230.db2.gz JICDZVIQWUKBRC-CVEARBPZSA-N 0 3 291.439 2.969 20 30 CFEDHN C[C@H]1CCN(CCNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000527248835 330241162 /nfs/dbraw/zinc/24/11/62/330241162.db2.gz WXCTZTZONJNMAQ-DOTOQJQBSA-N 0 3 299.418 2.532 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1ccccc1CC(F)(F)F ZINC000424125608 330258785 /nfs/dbraw/zinc/25/87/85/330258785.db2.gz OEXQKUAGSCJCJD-NSHDSACASA-N 0 3 299.296 2.751 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424129592 330260035 /nfs/dbraw/zinc/26/00/35/330260035.db2.gz SFORVOPZJVEKIZ-ZIAGYGMSSA-N 0 3 279.428 2.682 20 30 CFEDHN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](N)CCCC#N)c1C ZINC000424129946 330260201 /nfs/dbraw/zinc/26/02/01/330260201.db2.gz SLBNAKZXTUUUGH-IRXDYDNUSA-N 0 3 299.418 2.988 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)[C@@H](C)C1CCCCC1 ZINC000424129442 330260225 /nfs/dbraw/zinc/26/02/25/330260225.db2.gz SXWSVGYKOGWSOS-IPYPFGDCSA-N 0 3 279.428 2.729 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000424130368 330261381 /nfs/dbraw/zinc/26/13/81/330261381.db2.gz FCRBAJPALRJVNZ-INIZCTEOSA-N 0 3 299.418 2.537 20 30 CFEDHN C=CCOc1cccc(CN[C@]23C[C@H]2COC3(C)C)c1 ZINC000527766847 330281775 /nfs/dbraw/zinc/28/17/75/330281775.db2.gz QOVQJCIZELOBRC-WMLDXEAASA-N 0 3 273.376 2.909 20 30 CFEDHN Cc1ccccc1[C@@H](NC(=O)[C@@H](N)CCCC#N)C(C)C ZINC000424141873 330283798 /nfs/dbraw/zinc/28/37/98/330283798.db2.gz PFCIBHLZKCDTQR-HOTGVXAUSA-N 0 3 287.407 2.830 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000527890793 330292280 /nfs/dbraw/zinc/29/22/80/330292280.db2.gz SKNBMZBRDNQOPV-QMTHXVAHSA-N 0 3 269.747 2.993 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000424168303 330310091 /nfs/dbraw/zinc/31/00/91/330310091.db2.gz FYSMORUIWPHWBT-YOEHRIQHSA-N 0 3 283.375 2.553 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000424170961 330311090 /nfs/dbraw/zinc/31/10/90/330311090.db2.gz LQUHYOMUWDDQMA-BBWFWOEESA-N 0 3 299.418 2.535 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000424202341 330326983 /nfs/dbraw/zinc/32/69/83/330326983.db2.gz SUBONLMAJIDPRV-WMLDXEAASA-N 0 3 298.365 2.852 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@H](c3ccccc3)[C@H]2C)nn1 ZINC000424289736 330334366 /nfs/dbraw/zinc/33/43/66/330334366.db2.gz ACNHPOIZPCJFPJ-XOKHGSTOSA-N 0 3 282.391 2.746 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC(C)(C)C[C@H]2C)nn1 ZINC000424292017 330334947 /nfs/dbraw/zinc/33/49/47/330334947.db2.gz FWRBQLLHVLAXTG-TZMCWYRMSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](CCC)Cc2ccccc2)nn1 ZINC000424293226 330335283 /nfs/dbraw/zinc/33/52/83/330335283.db2.gz IFKWZQFBMCLORG-MRXNPFEDSA-N 0 3 284.407 2.965 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ccccc1)c1cncnc1 ZINC000424294568 330335686 /nfs/dbraw/zinc/33/56/86/330335686.db2.gz KYDMYXZPFQILFV-RYQLBKOJSA-N 0 3 295.386 2.747 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc([N+](=O)[O-])c1 ZINC000424321117 330340137 /nfs/dbraw/zinc/34/01/37/330340137.db2.gz GRQYDRBEPLHGRS-NTZNESFSSA-N 0 3 259.309 2.938 20 30 CFEDHN COCCc1nc(C)c([C@H](C)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC000424336672 330343494 /nfs/dbraw/zinc/34/34/94/330343494.db2.gz YFBWOJCFLXSFSA-WCFLWFBJSA-N 0 3 293.436 2.983 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000107531567 330349733 /nfs/dbraw/zinc/34/97/33/330349733.db2.gz XRUHKZXGTOIEFU-QGZVFWFLSA-N 0 3 288.435 2.753 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000119782744 330379796 /nfs/dbraw/zinc/37/97/96/330379796.db2.gz WXCJIEWTHQSADT-KGLIPLIRSA-N 0 3 296.455 2.735 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](CC)c2ccn(C)n2)CC1 ZINC000544570221 330379972 /nfs/dbraw/zinc/37/99/72/330379972.db2.gz NQNVNCSMGOBGQL-OAHLLOKOSA-N 0 3 276.428 2.501 20 30 CFEDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)N(CC)CCC#N ZINC000120679070 330390312 /nfs/dbraw/zinc/39/03/12/330390312.db2.gz ZWBOYNAKIWFVJR-LSDHHAIUSA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCN(C)CCCc1nc(-c2cccs2)no1 ZINC000121141125 330395592 /nfs/dbraw/zinc/39/55/92/330395592.db2.gz IIZPZOHYMLSCNW-UHFFFAOYSA-N 0 3 263.366 2.849 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000516070546 330486553 /nfs/dbraw/zinc/48/65/53/330486553.db2.gz IQRIZXSFSSZKKA-SOUVJXGZSA-N 0 3 272.392 2.555 20 30 CFEDHN CN(CC1CC1)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433012356 330612114 /nfs/dbraw/zinc/61/21/14/330612114.db2.gz KAIQSAPLPPZHSA-QGZVFWFLSA-N 0 3 299.418 2.880 20 30 CFEDHN Cc1cccc(C)c1OCCN[C@H]1CC[C@@H](C#N)C1 ZINC000442784203 330782932 /nfs/dbraw/zinc/78/29/32/330782932.db2.gz PCMFKEUBOSFRHA-CABCVRRESA-N 0 3 258.365 2.964 20 30 CFEDHN CCN1CCN(c2ccccc2N[C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442859418 330787738 /nfs/dbraw/zinc/78/77/38/330787738.db2.gz ACGIDEYDJMIPPH-CVEARBPZSA-N 0 3 298.434 2.933 20 30 CFEDHN CC(C)(C#N)CCCCN[C@@](C)(C(N)=O)c1ccccc1 ZINC000444659615 330817313 /nfs/dbraw/zinc/81/73/13/330817313.db2.gz DMQFPGPAKNYDPT-QGZVFWFLSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OCC)c(F)c1 ZINC000449702321 330944912 /nfs/dbraw/zinc/94/49/12/330944912.db2.gz YRMQUCATOZAFQH-CYBMUJFWSA-N 0 3 267.344 2.641 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000450146745 330963473 /nfs/dbraw/zinc/96/34/73/330963473.db2.gz NCVGPKIEDFMDAJ-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCC[C@@H](CO)Nc1ccnc2ccc(C)cc21 ZINC000450909491 331006533 /nfs/dbraw/zinc/00/65/33/331006533.db2.gz IIAIYGQJSNTLBC-ZDUSSCGKSA-N 0 3 256.349 2.704 20 30 CFEDHN C=C(C)CCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451278467 331022841 /nfs/dbraw/zinc/02/28/41/331022841.db2.gz CPDCRJTUOHQZGX-HOTGVXAUSA-N 0 3 263.356 2.753 20 30 CFEDHN CC(C)C[C@]1(C)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000451289086 331023230 /nfs/dbraw/zinc/02/32/30/331023230.db2.gz IXJJEJFCRFUVPX-DLBZAZTESA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCOCCCN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451335977 331024818 /nfs/dbraw/zinc/02/48/18/331024818.db2.gz VOLDEJNXXOIFQJ-HNNXBMFYSA-N 0 3 283.799 2.898 20 30 CFEDHN N#CC1(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCC1 ZINC000451355976 331025529 /nfs/dbraw/zinc/02/55/29/331025529.db2.gz WJVBSEWBNICHFK-ZNMIVQPWSA-N 0 3 262.397 2.696 20 30 CFEDHN O[C@@H]1CCC[C@H]1[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000451414035 331028385 /nfs/dbraw/zinc/02/83/85/331028385.db2.gz CRDJFPLPYSVZBZ-OKZBNKHCSA-N 0 3 287.378 2.803 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1CC ZINC000451596095 331035523 /nfs/dbraw/zinc/03/55/23/331035523.db2.gz FZFYCCWYYUAQGE-WQVCFCJDSA-N 0 3 288.391 2.509 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCCOc1ccccc1Cl ZINC000451599077 331035713 /nfs/dbraw/zinc/03/57/13/331035713.db2.gz MZNIFLHYXXJIDF-OLZOCXBDSA-N 0 3 267.756 2.652 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)cc1F ZINC000451605952 331036339 /nfs/dbraw/zinc/03/63/39/331036339.db2.gz LRKGNSVWHWUOJA-FZZIBODNSA-N 0 3 253.292 2.959 20 30 CFEDHN CC(C)(C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000163418770 331037095 /nfs/dbraw/zinc/03/70/95/331037095.db2.gz OBFKCMXWLDJGDZ-SFHVURJKSA-N 0 3 299.418 2.707 20 30 CFEDHN CC(C)(C#N)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000163418644 331037125 /nfs/dbraw/zinc/03/71/25/331037125.db2.gz OBFKCMXWLDJGDZ-GOSISDBHSA-N 0 3 299.418 2.707 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1oc(CCC)nc1C ZINC000451682074 331038924 /nfs/dbraw/zinc/03/89/24/331038924.db2.gz NWVMEAPSMVHIDA-OLZOCXBDSA-N 0 3 264.369 2.759 20 30 CFEDHN CC[C@H]1CN(CC)CCN1CCCC(C)(C)C#N ZINC000451729833 331040496 /nfs/dbraw/zinc/04/04/96/331040496.db2.gz MEUUTMIQHUEPDA-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN CO[C@H]1C[C@H](N(C)CC#Cc2ccccc2)C12CCC2 ZINC000451864666 331045336 /nfs/dbraw/zinc/04/53/36/331045336.db2.gz JNBXBTSGEACJPU-IRXDYDNUSA-N 0 3 269.388 2.928 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2ccc(OC)cc21 ZINC000163507471 331048173 /nfs/dbraw/zinc/04/81/73/331048173.db2.gz CWWAIYIZHNXBEL-MRXNPFEDSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1OCC ZINC000452034483 331051235 /nfs/dbraw/zinc/05/12/35/331051235.db2.gz KXPYMHDAUAWPFB-BZUAXINKSA-N 0 3 294.439 2.513 20 30 CFEDHN CC(C)(C)C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000452068218 331052727 /nfs/dbraw/zinc/05/27/27/331052727.db2.gz BOZDZKPEYDJWHN-CXAGYDPISA-N 0 3 291.439 2.553 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](CC(C)(C)C)C1 ZINC000452067918 331052841 /nfs/dbraw/zinc/05/28/41/331052841.db2.gz AYGPYCFSIULSBM-ZIAGYGMSSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000452119431 331055092 /nfs/dbraw/zinc/05/50/92/331055092.db2.gz IAFKCYHBKUYJAF-HOCLYGCPSA-N 0 3 286.419 2.978 20 30 CFEDHN Cc1ccc(C2(CNC(=O)C(C)C#N)CC2)c(C)c1 ZINC000452295250 331061323 /nfs/dbraw/zinc/06/13/23/331061323.db2.gz JMADEHFUYNJJON-ZDUSSCGKSA-N 0 3 256.349 2.611 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000452773620 331075987 /nfs/dbraw/zinc/07/59/87/331075987.db2.gz JBSRWMFAAZQQFV-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC(C)(C)CNC(=O)c1ccc(CN(C)C)cc1 ZINC000452773771 331075995 /nfs/dbraw/zinc/07/59/95/331075995.db2.gz JKEOIAOJWBMTEH-UHFFFAOYSA-N 0 3 260.381 2.690 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000452773621 331076047 /nfs/dbraw/zinc/07/60/47/331076047.db2.gz JBSRWMFAAZQQFV-CQSZACIVSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC[C@H]1C1CC1 ZINC000453009434 331083422 /nfs/dbraw/zinc/08/34/22/331083422.db2.gz FUTCZPIVZBEKNK-IRXDYDNUSA-N 0 3 287.403 2.639 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453203494 331100914 /nfs/dbraw/zinc/10/09/14/331100914.db2.gz UWCZWUVUTYCCHS-HIFRSBDPSA-N 0 3 285.391 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)cc1F ZINC000453352583 331120991 /nfs/dbraw/zinc/12/09/91/331120991.db2.gz JPMXGGIWOXLQPU-VQISRLSMSA-N 0 3 265.328 2.828 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C(=O)OC)cs1 ZINC000453354170 331121239 /nfs/dbraw/zinc/12/12/39/331121239.db2.gz KMVPYTLXAKCAJW-JLLWLGSASA-N 0 3 281.377 2.529 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cnn(C(C)C)c1 ZINC000453365153 331123208 /nfs/dbraw/zinc/12/32/08/331123208.db2.gz RZXUPKACPPLWLG-CFVMTHIKSA-N 0 3 263.385 2.848 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1sc(CC)nc1C ZINC000453369244 331123821 /nfs/dbraw/zinc/12/38/21/331123821.db2.gz SVZQDDDRENLOLH-ZYHUDNBSSA-N 0 3 268.426 2.992 20 30 CFEDHN C=CCC[C@H](NC[C@]1(C)CCC(=O)N1)c1ccco1 ZINC000453409032 331129612 /nfs/dbraw/zinc/12/96/12/331129612.db2.gz GYXPKGCFYWZMHM-WFASDCNBSA-N 0 3 262.353 2.545 20 30 CFEDHN Cc1sccc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000453588931 331135032 /nfs/dbraw/zinc/13/50/32/331135032.db2.gz ZSEBKQDCXMUXSR-GFCCVEGCSA-N 0 3 271.345 2.953 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000454262585 331143172 /nfs/dbraw/zinc/14/31/72/331143172.db2.gz SQFALFZTUAQGSI-ZIAGYGMSSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC1CCN(CC(=C)C)CC1 ZINC000454455474 331146535 /nfs/dbraw/zinc/14/65/35/331146535.db2.gz CHCWFRHWFSNKLG-UHFFFAOYSA-N 0 3 279.428 2.538 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000454468354 331146935 /nfs/dbraw/zinc/14/69/35/331146935.db2.gz ZRZFPUKVONJKNN-MRXNPFEDSA-N 0 3 289.423 2.863 20 30 CFEDHN C=C(CC)CNC(=O)NCCN1CCCC[C@H]1CC ZINC000454487901 331147301 /nfs/dbraw/zinc/14/73/01/331147301.db2.gz DJGPILLMHHVGTP-CQSZACIVSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C2CC2)C2CCC2)CC1 ZINC000454531394 331148028 /nfs/dbraw/zinc/14/80/28/331148028.db2.gz BJBMMTHRWUXUFJ-INIZCTEOSA-N 0 3 291.439 2.515 20 30 CFEDHN C[C@H](NC(=O)Nc1cccc(CC#N)c1)C1=CCN(C)CC1 ZINC000455905657 331180269 /nfs/dbraw/zinc/18/02/69/331180269.db2.gz MEFPKDSPYKIBGV-ZDUSSCGKSA-N 0 3 298.390 2.525 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCCC#N)C1 ZINC000456348367 331190450 /nfs/dbraw/zinc/19/04/50/331190450.db2.gz VAMFOBVRSLZNLE-INIZCTEOSA-N 0 3 299.418 2.661 20 30 CFEDHN CC(C#N)C(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000456771651 331202380 /nfs/dbraw/zinc/20/23/80/331202380.db2.gz LEYRGCDUPSODPY-LLVKDONJSA-N 0 3 274.339 2.912 20 30 CFEDHN C=CCCC1(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC1 ZINC000457083646 331211835 /nfs/dbraw/zinc/21/18/35/331211835.db2.gz FWYZZOKWRDUYKU-CQSZACIVSA-N 0 3 264.413 2.674 20 30 CFEDHN CN(C)CC(C)(C)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000457230991 331216670 /nfs/dbraw/zinc/21/66/70/331216670.db2.gz FYCTVNWIOKCKEQ-UHFFFAOYSA-N 0 3 287.407 2.558 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458276944 331247162 /nfs/dbraw/zinc/24/71/62/331247162.db2.gz HVDJUABVPFKCBJ-AWEZNQCLSA-N 0 3 290.407 2.976 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@H]2C(C)C)CC1 ZINC000458316664 331248284 /nfs/dbraw/zinc/24/82/84/331248284.db2.gz AWKWWQQRYNCDSV-OAHLLOKOSA-N 0 3 293.455 2.713 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)CC1 ZINC000458316663 331248301 /nfs/dbraw/zinc/24/83/01/331248301.db2.gz AWKWWQQRYNCDSV-HNNXBMFYSA-N 0 3 293.455 2.713 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000458327452 331248856 /nfs/dbraw/zinc/24/88/56/331248856.db2.gz WNFDPYJLABRVRT-DOTOQJQBSA-N 0 3 293.455 2.761 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000458328900 331248937 /nfs/dbraw/zinc/24/89/37/331248937.db2.gz YCLGLNVFSMPDLI-VNQPRFMTSA-N 0 3 291.439 2.515 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000458766022 331259470 /nfs/dbraw/zinc/25/94/70/331259470.db2.gz JXLDAVQINMVOAS-GOEBONIOSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CC(C)(C)CNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000458985704 331264005 /nfs/dbraw/zinc/26/40/05/331264005.db2.gz IVFWFFMIXCARPF-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCN(CCc1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000459324292 331276245 /nfs/dbraw/zinc/27/62/45/331276245.db2.gz JMKSRDMNSWUQAO-UHFFFAOYSA-N 0 3 286.335 2.549 20 30 CFEDHN COC(=O)CC1(NCC#Cc2cccc(Cl)c2)CCC1 ZINC000459389415 331279561 /nfs/dbraw/zinc/27/95/61/331279561.db2.gz NODOKXXGCXUUEI-UHFFFAOYSA-N 0 3 291.778 2.767 20 30 CFEDHN N#CC1(F)CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000459460696 331282694 /nfs/dbraw/zinc/28/26/94/331282694.db2.gz JDTSKRMDVVFOAG-MRXNPFEDSA-N 0 3 287.382 2.589 20 30 CFEDHN N#CC1(CN2CCN(c3ccnc4ccccc43)CC2)CC1 ZINC000459491119 331284698 /nfs/dbraw/zinc/28/46/98/331284698.db2.gz ZMIMSDSABLYOTE-UHFFFAOYSA-N 0 3 292.386 2.661 20 30 CFEDHN CN(C)CC(C)(C)NCC#Cc1ccccc1Cl ZINC000459553678 331287445 /nfs/dbraw/zinc/28/74/45/331287445.db2.gz ZDMOWYLENPNZMX-UHFFFAOYSA-N 0 3 264.800 2.621 20 30 CFEDHN C=CCC[C@@H](CC)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459675291 331293598 /nfs/dbraw/zinc/29/35/98/331293598.db2.gz JWSSZEOKNWOTDP-LLVKDONJSA-N 0 3 250.390 2.937 20 30 CFEDHN C=CCC[C@@H](CC)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459675291 331293599 /nfs/dbraw/zinc/29/35/99/331293599.db2.gz JWSSZEOKNWOTDP-LLVKDONJSA-N 0 3 250.390 2.937 20 30 CFEDHN CCN(C)c1ccc(CNCC(C)(C)CC#N)cn1 ZINC000459726394 331295932 /nfs/dbraw/zinc/29/59/32/331295932.db2.gz FLLBMRVGVSSVCD-UHFFFAOYSA-N 0 3 260.385 2.567 20 30 CFEDHN Cc1cccn2c(CNCC(C)(C)CC#N)cnc12 ZINC000459727297 331296115 /nfs/dbraw/zinc/29/61/15/331296115.db2.gz GEJOQNSDDSBBNZ-UHFFFAOYSA-N 0 3 256.353 2.672 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC(C)(CC)C1 ZINC000461246616 331312117 /nfs/dbraw/zinc/31/21/17/331312117.db2.gz MZKRRPMQCHHWND-INIZCTEOSA-N 0 3 289.419 2.887 20 30 CFEDHN CC#CCCN(CCC)C[C@H]1COc2ccccc2O1 ZINC000462322450 331319658 /nfs/dbraw/zinc/31/96/58/331319658.db2.gz ACGKZQAXSIMRIJ-HNNXBMFYSA-N 0 3 273.376 2.952 20 30 CFEDHN C=CCCCCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000474089650 331569523 /nfs/dbraw/zinc/56/95/23/331569523.db2.gz OTFYCDSSKQFFSS-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN C=CCCC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000488691167 332021644 /nfs/dbraw/zinc/02/16/44/332021644.db2.gz WIGVIKGSNGWSEQ-UHFFFAOYSA-N 0 3 288.391 2.548 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccccc1C ZINC000489453324 332053482 /nfs/dbraw/zinc/05/34/82/332053482.db2.gz YWOYSSZMPRSKOK-HOTGVXAUSA-N 0 3 275.392 2.775 20 30 CFEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1cc(N)ccc1F ZINC000489476561 332055013 /nfs/dbraw/zinc/05/50/13/332055013.db2.gz NJTNSICOECHZNE-ZDUSSCGKSA-N 0 3 291.370 2.777 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H](CC)CCCC)CC1 ZINC000490574128 332092428 /nfs/dbraw/zinc/09/24/28/332092428.db2.gz FMTRHZJYIDVBKS-HNNXBMFYSA-N 0 3 278.440 2.664 20 30 CFEDHN C#CCN(CC)C(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000490594090 332094132 /nfs/dbraw/zinc/09/41/32/332094132.db2.gz MWQKTOYOXGWXKT-UHFFFAOYSA-N 0 3 284.403 2.766 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc3ccncc32)CC1 ZINC000490799992 332116284 /nfs/dbraw/zinc/11/62/84/332116284.db2.gz KPSMARIFTPBWPF-UHFFFAOYSA-N 0 3 293.370 2.519 20 30 CFEDHN CN(C[C@H]1CCCN(CCCC#N)C1)C(=O)OC(C)(C)C ZINC000490958157 332133127 /nfs/dbraw/zinc/13/31/27/332133127.db2.gz CMBYMEQLHFJBAO-CQSZACIVSA-N 0 3 295.427 2.869 20 30 CFEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(SCC)cc1 ZINC000491069134 332145318 /nfs/dbraw/zinc/14/53/18/332145318.db2.gz TWTWSZMYSXCMQE-CYBMUJFWSA-N 0 3 290.432 2.589 20 30 CFEDHN C#CCNC(=O)CCN[C@@H](C)c1ccc(SCC)cc1 ZINC000491069135 332145343 /nfs/dbraw/zinc/14/53/43/332145343.db2.gz TWTWSZMYSXCMQE-ZDUSSCGKSA-N 0 3 290.432 2.589 20 30 CFEDHN C#CCN(Cc1ccc2c(c1)NC(=O)CO2)C1CCCCC1 ZINC000491125976 332153817 /nfs/dbraw/zinc/15/38/17/332153817.db2.gz JHYLHYVUDCEZJD-UHFFFAOYSA-N 0 3 298.386 2.785 20 30 CFEDHN C#C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)C(C)C ZINC000491483294 332219274 /nfs/dbraw/zinc/21/92/74/332219274.db2.gz AVNOULGCPKCPNV-ZIAGYGMSSA-N 0 3 251.757 2.621 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000491486429 332221075 /nfs/dbraw/zinc/22/10/75/332221075.db2.gz WBSXMDIXNFTPKN-KBPBESRZSA-N 0 3 269.747 2.760 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1cc(C)cc(C)c1 ZINC000491536751 332232062 /nfs/dbraw/zinc/23/20/62/332232062.db2.gz MCVVSVBCXPZESJ-UHFFFAOYSA-N 0 3 289.448 2.545 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000491620025 332246015 /nfs/dbraw/zinc/24/60/15/332246015.db2.gz FTMXCQUJYIZFOS-QZTJIDSGSA-N 0 3 298.430 2.642 20 30 CFEDHN C#C[C@H](NC1CC(CC(=O)OC)C1)c1ccc(Cl)cc1 ZINC000491622145 332247238 /nfs/dbraw/zinc/24/72/38/332247238.db2.gz DXAUDZPHKCMXOU-KWCHVYNWSA-N 0 3 291.778 2.946 20 30 CFEDHN C#CCn1ccc(CN(CC)CC2(CC)CCOCC2)n1 ZINC000491662670 332272159 /nfs/dbraw/zinc/27/21/59/332272159.db2.gz OTMIJIILLMIQTR-UHFFFAOYSA-N 0 3 289.423 2.545 20 30 CFEDHN C#C[C@H](NCc1cc(-n2ccnc2)cs1)C(C)C ZINC000491667926 332276045 /nfs/dbraw/zinc/27/60/45/332276045.db2.gz YQCZUVMETOBKTQ-AWEZNQCLSA-N 0 3 259.378 2.681 20 30 CFEDHN C[C@@H](NC(=O)C(C#N)c1nccc2ccccc21)C1CC1 ZINC000575367525 335098304 /nfs/dbraw/zinc/09/83/04/335098304.db2.gz ILALVCJQHIBMJV-ABAIWWIYSA-N 0 3 279.343 2.757 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@H]2CC)CC1 ZINC000491675520 332281149 /nfs/dbraw/zinc/28/11/49/332281149.db2.gz ZIUMWOOHGLHYGI-NVXWUHKLSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000491675648 332281285 /nfs/dbraw/zinc/28/12/85/332281285.db2.gz ZTFTZNIWNNZPBP-HOTGVXAUSA-N 0 3 290.451 2.663 20 30 CFEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000491690826 332287890 /nfs/dbraw/zinc/28/78/90/332287890.db2.gz DQCZCVRJWHADBY-AWEZNQCLSA-N 0 3 269.348 2.587 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000491738264 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ZINC000491888590 332373719 /nfs/dbraw/zinc/37/37/19/332373719.db2.gz VAYABQAUSUFJNW-WAYWQWQTSA-N 0 3 271.364 2.544 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C\c2ccc(C)cc2)CC1 ZINC000491911126 332374882 /nfs/dbraw/zinc/37/48/82/332374882.db2.gz ZTULSNGZENCRMY-KTKRTIGZSA-N 0 3 296.414 2.612 20 30 CFEDHN C=C(C)CN(CC)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492435961 332397378 /nfs/dbraw/zinc/39/73/78/332397378.db2.gz NLGJXOCFBFIFOK-LBPRGKRZSA-N 0 3 256.390 2.798 20 30 CFEDHN C[C@@H]1OCC[C@@]1(C)NCC#Cc1ccccc1Cl ZINC000494236528 332467927 /nfs/dbraw/zinc/46/79/27/332467927.db2.gz DVOLWAGKBCDTSY-SWLSCSKDSA-N 0 3 263.768 2.849 20 30 CFEDHN CC(C)C[C@@H](CNCCCC#N)NC(=O)OC(C)(C)C ZINC000496382852 332548109 /nfs/dbraw/zinc/54/81/09/332548109.db2.gz VQBOOHZTDIFPNA-ZDUSSCGKSA-N 0 3 283.416 2.819 20 30 CFEDHN CC(C)(C)OC(=O)N1CC2(C1)CCN(CCCC#N)CC2 ZINC000496630231 332555260 /nfs/dbraw/zinc/55/52/60/332555260.db2.gz ZQCNLOOIHGBWCO-UHFFFAOYSA-N 0 3 293.411 2.623 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC(NCC2(C#N)CCC2)CC1 ZINC000496859702 332562490 /nfs/dbraw/zinc/56/24/90/332562490.db2.gz UMQXWHUTKGEYHM-UHFFFAOYSA-N 0 3 293.411 2.669 20 30 CFEDHN COC(=O)CCC[C@H]1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000552029400 334278466 /nfs/dbraw/zinc/27/84/66/334278466.db2.gz CQNSQBBGRQPXSH-ZIAGYGMSSA-N 0 3 278.396 2.782 20 30 CFEDHN COC(=O)CCC[C@@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000552029397 334278597 /nfs/dbraw/zinc/27/85/97/334278597.db2.gz CQNSQBBGRQPXSH-KBPBESRZSA-N 0 3 278.396 2.782 20 30 CFEDHN CC[C@H](CC#N)NCCCCC(=O)OC(C)(C)C ZINC000565174352 334542745 /nfs/dbraw/zinc/54/27/45/334542745.db2.gz QDCRQEGHQFMPGL-GFCCVEGCSA-N 0 3 254.374 2.780 20 30 CFEDHN N#CCC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000568945319 334847867 /nfs/dbraw/zinc/84/78/67/334847867.db2.gz NVOHIIVGSKVWOW-UHFFFAOYSA-N 0 3 270.336 2.795 20 30 CFEDHN CN(CC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000405139234 333041163 /nfs/dbraw/zinc/04/11/63/333041163.db2.gz SPIAIOPCWUFOJN-INIZCTEOSA-N 0 3 271.408 2.742 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](CCC)C2)CC1 ZINC000176598409 333044010 /nfs/dbraw/zinc/04/40/10/333044010.db2.gz WAYXOZNZAQCLIX-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(c2ccccc2)C[C@H]1CC ZINC000184014354 333124314 /nfs/dbraw/zinc/12/43/14/333124314.db2.gz XWLICMCYNAALDA-SJLPKXTDSA-N 0 3 288.435 2.914 20 30 CFEDHN CC#CCCCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000185581601 333144161 /nfs/dbraw/zinc/14/41/61/333144161.db2.gz MBMFZXCDOWIVQS-UHFFFAOYSA-N 0 3 290.451 2.903 20 30 CFEDHN C=CCCCCCN1CCSC[C@@H]1CC(=O)OC ZINC000193397817 333249479 /nfs/dbraw/zinc/24/94/79/333249479.db2.gz XBSPZDZEOZFUJQ-ZDUSSCGKSA-N 0 3 271.426 2.713 20 30 CFEDHN C=CCCCCCN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000193572105 333253332 /nfs/dbraw/zinc/25/33/32/333253332.db2.gz JVSPXPCJWGHLNI-OAHLLOKOSA-N 0 3 268.445 2.510 20 30 CFEDHN CC[C@](C)(C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000522205603 333263266 /nfs/dbraw/zinc/26/32/66/333263266.db2.gz IIOXFKUZEREGOD-GOSISDBHSA-N 0 3 299.418 2.707 20 30 CFEDHN CCN(CC)C(=O)CN(C)CCCCC(C)(C)C#N ZINC000233426911 333352376 /nfs/dbraw/zinc/35/23/76/333352376.db2.gz YTSAULFSQFLREJ-UHFFFAOYSA-N 0 3 267.417 2.507 20 30 CFEDHN N#CCCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000524598741 333368288 /nfs/dbraw/zinc/36/82/88/333368288.db2.gz KQZANCJEHATJOG-NSHDSACASA-N 0 3 264.291 2.724 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000524811711 333389214 /nfs/dbraw/zinc/38/92/14/333389214.db2.gz LSALHBFZYJQJJQ-UXLLHSPISA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC23CC3)CC1 ZINC000528449776 333438834 /nfs/dbraw/zinc/43/88/34/333438834.db2.gz QGVLTLBCBRAAFF-OAHLLOKOSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](OC)C1CC1 ZINC000339528562 335146425 /nfs/dbraw/zinc/14/64/25/335146425.db2.gz WXNOXDIMPLRSKU-MRXNPFEDSA-N 0 3 261.365 2.766 20 30 CFEDHN CC#CCCNCc1ccc(I)cc1 ZINC000125697087 333568906 /nfs/dbraw/zinc/56/89/06/333568906.db2.gz YAITZWMFRBYHQH-UHFFFAOYSA-N 0 3 299.155 2.794 20 30 CFEDHN CC(C)Cn1ccnc1CNCC(C)(C)CCC#N ZINC000174455293 335155886 /nfs/dbraw/zinc/15/58/86/335155886.db2.gz FSCBHGHMKZIJGL-UHFFFAOYSA-N 0 3 262.401 2.959 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccccc1C(C)(C)C ZINC000540779604 333746804 /nfs/dbraw/zinc/74/68/04/333746804.db2.gz ZUHXCTFLFVYBQM-CYBMUJFWSA-N 0 3 274.408 2.937 20 30 CFEDHN CC(C)C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000074995211 334022139 /nfs/dbraw/zinc/02/21/39/334022139.db2.gz AQLGKWKRPPGJLA-OAHLLOKOSA-N 0 3 291.439 2.697 20 30 CFEDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CCCC#N)C1 ZINC000133922128 334071289 /nfs/dbraw/zinc/07/12/89/334071289.db2.gz CRKVWYCUPGVDDM-KGLIPLIRSA-N 0 3 295.427 2.915 20 30 CFEDHN C[C@H](C#N)CN[C@@H](C)CCc1n[nH]c2ccccc21 ZINC000547362329 334083368 /nfs/dbraw/zinc/08/33/68/334083368.db2.gz WARUYFQSWSFSAL-NEPJUHHUSA-N 0 3 256.353 2.633 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCCC(C)(C)C2)C1=O ZINC000547405762 334086053 /nfs/dbraw/zinc/08/60/53/334086053.db2.gz SWRXDPMDQJTCQR-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN CC(C)CN(CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)(C)C ZINC000134448237 334090839 /nfs/dbraw/zinc/09/08/39/334090839.db2.gz XQPVFBFZOREPPE-KRWDZBQOSA-N 0 3 293.455 2.799 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134619913 334097925 /nfs/dbraw/zinc/09/79/25/334097925.db2.gz DEAQCVGXBKTDOO-VXGBXAGGSA-N 0 3 254.374 2.550 20 30 CFEDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCCC#N ZINC000134660747 334099486 /nfs/dbraw/zinc/09/94/86/334099486.db2.gz XDYSYWPOZBTJRO-QWHCGFSZSA-N 0 3 281.400 2.668 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccccc1 ZINC000547651584 334106173 /nfs/dbraw/zinc/10/61/73/334106173.db2.gz FFJRUEOOXZPJOL-WBVHZDCISA-N 0 3 286.419 2.804 20 30 CFEDHN C=CC[C@H](C(=O)NCCN1CC[C@@H](C)C1)c1ccccc1 ZINC000547654126 334106271 /nfs/dbraw/zinc/10/62/71/334106271.db2.gz DXPZPQOTMIROSN-WBVHZDCISA-N 0 3 286.419 2.804 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000134964860 334109830 /nfs/dbraw/zinc/10/98/30/334109830.db2.gz WEJVQAFTLYCPIP-ZBFHGGJFSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078538901 334135525 /nfs/dbraw/zinc/13/55/25/334135525.db2.gz UDSYFPFKNUTMCN-LSDHHAIUSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H]1CCC[C@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078538889 334135545 /nfs/dbraw/zinc/13/55/45/334135545.db2.gz UDSYFPFKNUTMCN-CABCVRRESA-N 0 3 291.439 2.840 20 30 CFEDHN CC(C)(C)[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)CCO1 ZINC000576271991 335180449 /nfs/dbraw/zinc/18/04/49/335180449.db2.gz NOWAGBDJFDLLQA-RDBSUJKOSA-N 0 3 263.385 2.613 20 30 CFEDHN CC#CCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548925736 334180479 /nfs/dbraw/zinc/18/04/79/334180479.db2.gz ZUZWXHKSKBRSBG-UHFFFAOYSA-N 0 3 272.367 2.676 20 30 CFEDHN C#CCN1CCC(C(=O)NCC(C)(C)CC(C)C)CC1 ZINC000081617977 334200294 /nfs/dbraw/zinc/20/02/94/334200294.db2.gz KIJOHTXCIAYQEE-UHFFFAOYSA-N 0 3 278.440 2.520 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)C(C)(C)C)CC1 ZINC000550382147 334221457 /nfs/dbraw/zinc/22/14/57/334221457.db2.gz UZLANQOKWHOHFD-UHFFFAOYSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H](CC#N)N(C)CCCCCN(C)[C@H](C)CC#N ZINC000247775395 334290313 /nfs/dbraw/zinc/29/03/13/334290313.db2.gz WRXYCIWAHHCFBD-HUUCEWRRSA-N 0 3 264.417 2.625 20 30 CFEDHN C=CCC[C@H](NCCn1cnnc1CC)c1ccco1 ZINC000552272657 334310798 /nfs/dbraw/zinc/31/07/98/334310798.db2.gz WIJRGKDWFDKKFW-ZDUSSCGKSA-N 0 3 274.368 2.731 20 30 CFEDHN C[C@@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@H]1O ZINC000249529464 334335954 /nfs/dbraw/zinc/33/59/54/334335954.db2.gz AOFRQEMXRPRZCB-RHSMWYFYSA-N 0 3 288.391 2.572 20 30 CFEDHN C=C(C)CN(CC)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000249784785 334340504 /nfs/dbraw/zinc/34/05/04/334340504.db2.gz RDEHYCWJNJAYHT-HUUCEWRRSA-N 0 3 281.444 2.714 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCOc2ccccc21 ZINC000554486668 334432124 /nfs/dbraw/zinc/43/21/24/334432124.db2.gz JTANRSZPPWDGCD-KBPBESRZSA-N 0 3 269.348 2.586 20 30 CFEDHN CC1(C)[C@H](O)C[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000554576096 334440279 /nfs/dbraw/zinc/44/02/79/334440279.db2.gz PXNBUMUNBRIWPO-UONOGXRCSA-N 0 3 297.320 2.806 20 30 CFEDHN CC(C)(CC#N)CNC[C@H](O)COc1ccc(Cl)cc1 ZINC000564860259 334524368 /nfs/dbraw/zinc/52/43/68/334524368.db2.gz PNTYOBOCUSPVAK-ZDUSSCGKSA-N 0 3 296.798 2.609 20 30 CFEDHN C=CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000568408736 334823365 /nfs/dbraw/zinc/82/33/65/334823365.db2.gz XCKUBMNSEYAVBG-SFHVURJKSA-N 0 3 286.419 2.790 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000576799868 335249034 /nfs/dbraw/zinc/24/90/34/335249034.db2.gz FKDMNRWOEXPPGV-IUODEOHRSA-N 0 3 274.339 2.909 20 30 CFEDHN C=CCCCCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC000577410813 335349957 /nfs/dbraw/zinc/34/99/57/335349957.db2.gz GQYQAKJTGCXCHX-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCCCCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000577623500 335380793 /nfs/dbraw/zinc/38/07/93/335380793.db2.gz RBTQLMOYRYEGQQ-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc2c(c1)CCC(=O)N2 ZINC000180017856 335541553 /nfs/dbraw/zinc/54/15/53/335541553.db2.gz JCXMDMIRRJLJCW-NSHDSACASA-N 0 3 257.337 2.526 20 30 CFEDHN COc1ccc([C@H](CCC#N)N[C@@H]2CO[C@H](C)C2)cc1 ZINC000579472359 335767207 /nfs/dbraw/zinc/76/72/07/335767207.db2.gz PQXIPUIEFMBYNW-INWMFGNUSA-N 0 3 274.364 2.807 20 30 CFEDHN Cc1cc(C)cc(OC[C@H](O)CNCC(C)(C)CC#N)c1 ZINC000581424893 336075085 /nfs/dbraw/zinc/07/50/85/336075085.db2.gz MSGPEGFOKZMLIH-OAHLLOKOSA-N 0 3 290.407 2.573 20 30 CFEDHN CN(Cc1ccccc1)C1(CNCCC#N)CCC1 ZINC000386708832 336177336 /nfs/dbraw/zinc/17/73/36/336177336.db2.gz OXVZJXKNACDXFR-UHFFFAOYSA-N 0 3 257.381 2.544 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1[nH]c(C)cc1C ZINC001085676124 782130238 /nfs/dbraw/zinc/13/02/38/782130238.db2.gz HYEDOUKWWFVMJU-HNNXBMFYSA-N 0 3 289.423 2.744 20 30 CFEDHN CCCCCCCCN(C)[C@H]1CCCCNC1=O ZINC000740875656 574272417 /nfs/dbraw/zinc/27/24/17/574272417.db2.gz BQONFZNEHVXDQN-AWEZNQCLSA-N 0 3 254.418 2.947 20 30 CFEDHN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(N2CCCC2)n1 ZINC000353609162 533723911 /nfs/dbraw/zinc/72/39/11/533723911.db2.gz ASDKYFTUSFDIRA-GOEBONIOSA-N 0 3 284.407 2.772 20 30 CFEDHN C[C@@H]1C[C@H](CNCc2ccc(C#N)cc2F)[C@H](C)O1 ZINC000414511238 533871684 /nfs/dbraw/zinc/87/16/84/533871684.db2.gz GNJZDBAQBSPGGS-UHIISALHSA-N 0 3 262.328 2.600 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000330237729 534009522 /nfs/dbraw/zinc/00/95/22/534009522.db2.gz UWICAWSMHYBSHE-UVBJJODRSA-N 0 3 299.374 2.692 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)N1CCC[C@H]1C ZINC000425531520 534079738 /nfs/dbraw/zinc/07/97/38/534079738.db2.gz HPUWBSOHMOKCMO-CABCVRRESA-N 0 3 299.418 2.952 20 30 CFEDHN CC(C#N)C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000335975917 534281933 /nfs/dbraw/zinc/28/19/33/534281933.db2.gz CECCEXLREOLXIX-ABAIWWIYSA-N 0 3 254.333 2.825 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000336170127 534284261 /nfs/dbraw/zinc/28/42/61/534284261.db2.gz NDDAFKADXFGJDQ-RNFRBKRXSA-N 0 3 287.182 2.847 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000332673040 534285524 /nfs/dbraw/zinc/28/55/24/534285524.db2.gz JAQFKVHWRHVSQV-GPCCPHFNSA-N 0 3 260.312 2.725 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000182546010 518721283 /nfs/dbraw/zinc/72/12/83/518721283.db2.gz LLJKIGYTIOXADX-MLGOLLRUSA-N 0 3 276.380 2.623 20 30 CFEDHN CC(C)[C@@H](CCO)NCc1ccc(Cl)cc1C#N ZINC000360255558 519792997 /nfs/dbraw/zinc/79/29/97/519792997.db2.gz BXRSCIZDHOEMNW-CQSZACIVSA-N 0 3 266.772 2.708 20 30 CFEDHN CCOCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360833922 519969348 /nfs/dbraw/zinc/96/93/48/519969348.db2.gz HWGOOPNWNNCQDP-MRXNPFEDSA-N 0 3 258.365 2.952 20 30 CFEDHN CCN(CC(=O)Nc1cccc(C#N)c1)CC1CCC1 ZINC000230316527 520363284 /nfs/dbraw/zinc/36/32/84/520363284.db2.gz NSMFQAWLWANDMO-UHFFFAOYSA-N 0 3 271.364 2.619 20 30 CFEDHN CC1(C)[C@@H]2CN(CCOc3ccccc3C#N)C[C@@H]21 ZINC000172949214 520643467 /nfs/dbraw/zinc/64/34/67/520643467.db2.gz XVIUPAUCKOIAHG-OKILXGFUSA-N 0 3 256.349 2.525 20 30 CFEDHN CCN(CCOc1cccc(C#N)c1)Cc1ccncc1 ZINC000049024101 521148928 /nfs/dbraw/zinc/14/89/28/521148928.db2.gz SZGYVDYFKFSSNC-UHFFFAOYSA-N 0 3 281.359 2.854 20 30 CFEDHN CCCN(Cc1cc(C#N)n(C)c1)C[C@@H]1CCCCO1 ZINC000191330282 521681231 /nfs/dbraw/zinc/68/12/31/521681231.db2.gz MUPFBEXBZQXWED-INIZCTEOSA-N 0 3 275.396 2.678 20 30 CFEDHN CCN1CC[C@@H](N(C)C(=O)c2sccc2C#N)C[C@H]1C ZINC000335170092 521712422 /nfs/dbraw/zinc/71/24/22/521712422.db2.gz PEEFESSBWJOAQH-DGCLKSJQSA-N 0 3 291.420 2.565 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1C[C@H](C)C[C@H](C)C1 ZINC000077247066 522043273 /nfs/dbraw/zinc/04/32/73/522043273.db2.gz YCWLLSUWWULNSE-OKILXGFUSA-N 0 3 288.391 2.924 20 30 CFEDHN CC[C@H](CCO)N[C@H](C)c1ccc(C#N)cc1F ZINC000305838598 522164345 /nfs/dbraw/zinc/16/43/45/522164345.db2.gz YCRBUVDMFRMJQJ-ZYHUDNBSSA-N 0 3 250.317 2.509 20 30 CFEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000361469246 522483018 /nfs/dbraw/zinc/48/30/18/522483018.db2.gz LPBNJWRDBBBCFI-MRXNPFEDSA-N 0 3 299.418 2.685 20 30 CFEDHN CC[C@@H](CCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305838596 522526526 /nfs/dbraw/zinc/52/65/26/522526526.db2.gz YCRBUVDMFRMJQJ-JQWIXIFHSA-N 0 3 250.317 2.509 20 30 CFEDHN Cc1nc2ccc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)cc2o1 ZINC000329980962 534647301 /nfs/dbraw/zinc/64/73/01/534647301.db2.gz MIUYZPMFTOKFBU-ZUZCIYMTSA-N 0 3 299.374 2.924 20 30 CFEDHN CC[C@H](O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000305803012 522804366 /nfs/dbraw/zinc/80/43/66/522804366.db2.gz FGRYEFQHJNBBBA-PWSUYJOCSA-N 0 3 250.317 2.509 20 30 CFEDHN CN(CCNCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000067221929 522867640 /nfs/dbraw/zinc/86/76/40/522867640.db2.gz FIIUGVFFMIKYBB-UHFFFAOYSA-N 0 3 279.387 2.780 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@@H]1CCCC[C@H]1O ZINC000305853578 523168291 /nfs/dbraw/zinc/16/82/91/523168291.db2.gz VSFNIDBDJYCEGH-GXTWGEPZSA-N 0 3 264.394 2.603 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCCC[C@@H]1O ZINC000192167883 523206910 /nfs/dbraw/zinc/20/69/10/523206910.db2.gz NKDPBISFWBXEJU-ZBFHGGJFSA-N 0 3 276.355 2.680 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000360341654 523527257 /nfs/dbraw/zinc/52/72/57/523527257.db2.gz GZCQYKJEQAJVIW-PBHICJAKSA-N 0 3 299.418 2.625 20 30 CFEDHN COc1ccc(C#N)cc1CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000360341658 523528138 /nfs/dbraw/zinc/52/81/38/523528138.db2.gz GZCQYKJEQAJVIW-WMLDXEAASA-N 0 3 299.418 2.625 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H]1CCCC[C@@H]1OC ZINC000361768170 523530584 /nfs/dbraw/zinc/53/05/84/523530584.db2.gz YNEVMGIYAADPFS-HOCLYGCPSA-N 0 3 274.364 2.614 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1F ZINC000361747691 523584358 /nfs/dbraw/zinc/58/43/58/523584358.db2.gz CXSCQFTYGQPGEH-ZIAGYGMSSA-N 0 3 262.328 2.745 20 30 CFEDHN CCc1ccc([C@@H](CNc2ccnc(C#N)c2)N(C)C)cc1 ZINC000339970281 524029444 /nfs/dbraw/zinc/02/94/44/524029444.db2.gz FUWCDYVUGSIIOE-GOSISDBHSA-N 0 3 294.402 2.652 20 30 CFEDHN COc1ccc(CN2CC[C@@H]3OCCC[C@H]3C2)cc1C#N ZINC000246487266 524037928 /nfs/dbraw/zinc/03/79/28/524037928.db2.gz GXOWNVPRPAKONG-YOEHRIQHSA-N 0 3 286.375 2.568 20 30 CFEDHN C[C@H](CN(C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000320736375 524296437 /nfs/dbraw/zinc/29/64/37/524296437.db2.gz YEZMDLMWPLEHTJ-CYBMUJFWSA-N 0 3 288.391 2.968 20 30 CFEDHN C[C@@H](CCCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000305802842 524463443 /nfs/dbraw/zinc/46/34/43/524463443.db2.gz FEDMMPLPUVTGED-QWRGUYRKSA-N 0 3 250.317 2.509 20 30 CFEDHN Cc1cc(CN2CC[C@H](O)CC(C)(C)C2)ccc1C#N ZINC000334651859 524707325 /nfs/dbraw/zinc/70/73/25/524707325.db2.gz FWUAKXXGQDLBPM-INIZCTEOSA-N 0 3 272.392 2.850 20 30 CFEDHN C[C@H]1COCC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000305855798 524732476 /nfs/dbraw/zinc/73/24/76/524732476.db2.gz DVQPCAZYCBFWQP-IINYFYTJSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@H]1CSC[C@@H]1NCc1cc(C#N)ccc1F ZINC000336472135 524759555 /nfs/dbraw/zinc/75/95/55/524759555.db2.gz NNRNXCXJEUDAFK-ZANVPECISA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@H](NCc1ccc(CO)cc1)c1ccc(C#N)cc1 ZINC000168742309 525438716 /nfs/dbraw/zinc/43/87/16/525438716.db2.gz CHLLNSNJEBGNPY-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1Cl ZINC000163874777 525822597 /nfs/dbraw/zinc/82/25/97/525822597.db2.gz LHZYWEHUIBSZCZ-RISCZKNCSA-N 0 3 278.783 2.947 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C12CCCN1CCC2 ZINC000335132779 526066083 /nfs/dbraw/zinc/06/60/83/526066083.db2.gz LPKGNYZHVHNEGM-AWEZNQCLSA-N 0 3 297.402 2.706 20 30 CFEDHN Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1C#N ZINC000376560546 526126023 /nfs/dbraw/zinc/12/60/23/526126023.db2.gz CYYFNBAMQVYNJF-RHSMWYFYSA-N 0 3 297.402 2.566 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000215965741 526153660 /nfs/dbraw/zinc/15/36/60/526153660.db2.gz MGWYJTDIXSHIIR-MGPQQGTHSA-N 0 3 285.391 2.863 20 30 CFEDHN CC#CCCNCc1nc2ccc(OC)cc2s1 ZINC000354928034 526339071 /nfs/dbraw/zinc/33/90/71/526339071.db2.gz SUKKZVBWBKUJSH-UHFFFAOYSA-N 0 3 260.362 2.808 20 30 CFEDHN C=C(C)CCN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000352095791 526445484 /nfs/dbraw/zinc/44/54/84/526445484.db2.gz AZZSVSRDJGPCBB-UHFFFAOYSA-N 0 3 292.398 2.918 20 30 CFEDHN C=C(C)CCN1CCN(Cc2ccccc2OC)CC1 ZINC000352015367 526445582 /nfs/dbraw/zinc/44/55/82/526445582.db2.gz PYJKFLGSLXASCB-UHFFFAOYSA-N 0 3 274.408 2.779 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H](c1ccccc1)C(C)C ZINC000112699005 526526565 /nfs/dbraw/zinc/52/65/65/526526565.db2.gz OCGMAOWWOMUEQA-INIZCTEOSA-N 0 3 260.381 2.618 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC2(C)C)CC1 ZINC000344765838 526593319 /nfs/dbraw/zinc/59/33/19/526593319.db2.gz PQZWPLZPQXYIHF-AWEZNQCLSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(F)ccc2C)CC1 ZINC000106037795 526599166 /nfs/dbraw/zinc/59/91/66/526599166.db2.gz UUXKEOJFMFPXRF-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000335249410 526617093 /nfs/dbraw/zinc/61/70/93/526617093.db2.gz PTMADJSNXUIOSD-ZWKOTPCHSA-N 0 3 278.355 2.866 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(CCC(C)C)CC1 ZINC000347103159 526631319 /nfs/dbraw/zinc/63/13/19/526631319.db2.gz LYYBCMGLDHPZGT-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306860 526634546 /nfs/dbraw/zinc/63/45/46/526634546.db2.gz TXLPKTZIFCHBCV-JSGCOSHPSA-N 0 3 292.810 2.820 20 30 CFEDHN N#Cc1ccc(NC(=O)CN(CC2CC2)CC2CC2)cc1 ZINC000070505317 526650819 /nfs/dbraw/zinc/65/08/19/526650819.db2.gz FOPMHEDCQXGRDM-UHFFFAOYSA-N 0 3 283.375 2.619 20 30 CFEDHN N#Cc1cccc(CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000365850578 526704881 /nfs/dbraw/zinc/70/48/81/526704881.db2.gz YQYKGSARXYGVDZ-IBGZPJMESA-N 0 3 292.382 2.694 20 30 CFEDHN Cc1nsc(NC[C@H](C)N2CCCC[C@H]2C)c1C#N ZINC000360960764 526714598 /nfs/dbraw/zinc/71/45/98/526714598.db2.gz LVASMEUZFPNKAK-MNOVXSKESA-N 0 3 278.425 2.998 20 30 CFEDHN C=CCOCCCN(CC)C[C@H]1COc2ccccc2O1 ZINC000347970854 526747377 /nfs/dbraw/zinc/74/73/77/526747377.db2.gz XJTJSJJWLCNXNS-HNNXBMFYSA-N 0 3 291.391 2.741 20 30 CFEDHN C=CCOCCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000347968467 526758457 /nfs/dbraw/zinc/75/84/57/526758457.db2.gz RHZFARIFHHUEFP-UHFFFAOYSA-N 0 3 291.391 2.655 20 30 CFEDHN Cc1n[nH]c(C2CCN(Cc3ccc(C#N)cc3F)CC2)n1 ZINC000365825099 526781687 /nfs/dbraw/zinc/78/16/87/526781687.db2.gz NDLRSPGDLWWNAC-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN Cc1nnc(C2CCN(Cc3ccc(C#N)cc3F)CC2)[nH]1 ZINC000365825099 526781689 /nfs/dbraw/zinc/78/16/89/526781689.db2.gz NDLRSPGDLWWNAC-UHFFFAOYSA-N 0 3 299.353 2.504 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](c3nc(C)no3)C2)cc1 ZINC000344849480 526871078 /nfs/dbraw/zinc/87/10/78/526871078.db2.gz DEMKOISFWANZSH-OAHLLOKOSA-N 0 3 299.374 2.932 20 30 CFEDHN C=C(CN[C@H](Cc1ccc(F)cc1)C(N)=O)c1ccccc1 ZINC000352267671 526883897 /nfs/dbraw/zinc/88/38/97/526883897.db2.gz YRVAAJUZEMFYRY-QGZVFWFLSA-N 0 3 298.361 2.525 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H](CO)CC2)c1 ZINC000354686392 526898543 /nfs/dbraw/zinc/89/85/43/526898543.db2.gz CLFBBXZIBNKRIE-OAHLLOKOSA-N 0 3 275.392 2.846 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@H](C(=O)OC)[C@@H]2C)c1 ZINC000347271981 526902568 /nfs/dbraw/zinc/90/25/68/526902568.db2.gz CLJUIUJIDPSIKL-BBRMVZONSA-N 0 3 289.375 2.635 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCOC[C@H]2OCC)c1 ZINC000353196030 526904806 /nfs/dbraw/zinc/90/48/06/526904806.db2.gz WGQADCNIHIACPP-DLBZAZTESA-N 0 3 291.391 2.535 20 30 CFEDHN C=CCC(C)(C)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000352535961 527001404 /nfs/dbraw/zinc/00/14/04/527001404.db2.gz XSQYGBAEHCYOTP-CHWSQXEVSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000350828142 527044484 /nfs/dbraw/zinc/04/44/84/527044484.db2.gz KAIVRQNAKXHALQ-KGLIPLIRSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cn(C)nc1C1CCCCC1 ZINC000344331870 527079675 /nfs/dbraw/zinc/07/96/75/527079675.db2.gz XPJBMSRWANYKNH-CQSZACIVSA-N 0 3 291.439 2.742 20 30 CFEDHN C=CCCC1(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000355042445 527087559 /nfs/dbraw/zinc/08/75/59/527087559.db2.gz SLNKJYNQDXSGIY-UHFFFAOYSA-N 0 3 286.419 2.981 20 30 CFEDHN C=CCCC1(C(=O)NCCN2CCCC[C@@H]2C)CC1 ZINC000354600599 527088008 /nfs/dbraw/zinc/08/80/08/527088008.db2.gz SKQVJANIVLHKNK-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN Cc1nc2c(s1)[C@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000365172032 527111745 /nfs/dbraw/zinc/11/17/45/527111745.db2.gz PPWXVFXUDREIIS-CYBMUJFWSA-N 0 3 286.404 2.829 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000345496086 527141871 /nfs/dbraw/zinc/14/18/71/527141871.db2.gz YJQUUJGFJQEZAQ-QWRGUYRKSA-N 0 3 287.450 2.842 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000347624373 527153361 /nfs/dbraw/zinc/15/33/61/527153361.db2.gz NDDUIBLQAPAYSJ-KFWWJZLASA-N 0 3 281.444 2.903 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000350828143 527154178 /nfs/dbraw/zinc/15/41/78/527154178.db2.gz KAIVRQNAKXHALQ-UONOGXRCSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000347624369 527154257 /nfs/dbraw/zinc/15/42/57/527154257.db2.gz NDDUIBLQAPAYSJ-ILXRZTDVSA-N 0 3 281.444 2.903 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)cc1F)OCC1CC1 ZINC000414519224 527171087 /nfs/dbraw/zinc/17/10/87/527171087.db2.gz WPUYORJAROLEIX-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000344599689 527198895 /nfs/dbraw/zinc/19/88/95/527198895.db2.gz LLPYCDIHPBPZKC-UHFFFAOYSA-N 0 3 275.352 2.683 20 30 CFEDHN C=CCCCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000344498587 527223038 /nfs/dbraw/zinc/22/30/38/527223038.db2.gz OBTCTYRYICNBJC-CQSZACIVSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1 ZINC000417983236 527290392 /nfs/dbraw/zinc/29/03/92/527290392.db2.gz NVZOKTHXLJVIQO-DZGCQCFKSA-N 0 3 275.396 2.730 20 30 CFEDHN C=CCC[C@@H](NC[C@@]1(OC)CCOC1)c1ccco1 ZINC000353682214 527449824 /nfs/dbraw/zinc/44/98/24/527449824.db2.gz CFYSVLOCAXZVOR-HIFRSBDPSA-N 0 3 265.353 2.682 20 30 CFEDHN C=C[C@@H]1CCCCN1Cc1ccc2c(c1)nnn2C ZINC000336605991 527456799 /nfs/dbraw/zinc/45/67/99/527456799.db2.gz STJTYFPSRLHQAF-CYBMUJFWSA-N 0 3 256.353 2.509 20 30 CFEDHN CC(C)(C#N)CCN1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351968672 527466628 /nfs/dbraw/zinc/46/66/28/527466628.db2.gz RSXSKYPAHAMZDS-QWHCGFSZSA-N 0 3 250.386 2.816 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000347161712 527467408 /nfs/dbraw/zinc/46/74/08/527467408.db2.gz RUVYDRVAMGUZPA-QWRGUYRKSA-N 0 3 278.318 2.561 20 30 CFEDHN C=CCN(CC(=O)NC1(C#N)CCC1)CC1CCCCC1 ZINC000347079424 527582657 /nfs/dbraw/zinc/58/26/57/527582657.db2.gz PTVGPDBYDQKQEQ-UHFFFAOYSA-N 0 3 289.423 2.617 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000353574022 527594727 /nfs/dbraw/zinc/59/47/27/527594727.db2.gz IYCCEPRHXHCMEE-TZMCWYRMSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](CC)CC(F)(F)F ZINC000354561486 527629793 /nfs/dbraw/zinc/62/97/93/527629793.db2.gz FVWKYRQWEACMTP-NEPJUHHUSA-N 0 3 292.345 2.896 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](CC)CC(F)(F)F ZINC000354561487 527636960 /nfs/dbraw/zinc/63/69/60/527636960.db2.gz FVWKYRQWEACMTP-NWDGAFQWSA-N 0 3 292.345 2.896 20 30 CFEDHN Cc1nn(C)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334937097 527693593 /nfs/dbraw/zinc/69/35/93/527693593.db2.gz UAVVWNZUJRWUGF-QGZVFWFLSA-N 0 3 280.375 2.767 20 30 CFEDHN CC(C)[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000114729346 527775304 /nfs/dbraw/zinc/77/53/04/527775304.db2.gz MYELPSYLSXGJRV-RDJZCZTQSA-N 0 3 293.455 2.799 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000331443928 527927966 /nfs/dbraw/zinc/92/79/66/527927966.db2.gz SRGLDBPRUWNFLW-CPUCHLNUSA-N 0 3 291.439 2.551 20 30 CFEDHN CC(C)OCC[C@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541595 527996721 /nfs/dbraw/zinc/99/67/21/527996721.db2.gz WZBKTKPBWOQHSV-YOEHRIQHSA-N 0 3 290.407 2.727 20 30 CFEDHN CCN(CCCCCn1cc(C)cn1)C[C@H](C)C#N ZINC000354465779 528432996 /nfs/dbraw/zinc/43/29/96/528432996.db2.gz XBMOTHMCIIBOCP-CQSZACIVSA-N 0 3 262.401 2.843 20 30 CFEDHN CCCc1nc(C(=O)NC2CC(N3CCCCC3)C2)co1 ZINC000330117602 528681589 /nfs/dbraw/zinc/68/15/89/528681589.db2.gz XFVNYAPALGEFFP-UHFFFAOYSA-N 0 3 291.395 2.949 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC000330019115 529059931 /nfs/dbraw/zinc/05/99/31/529059931.db2.gz UPEOFZDVSCCSAA-CYBMUJFWSA-N 0 3 291.395 2.724 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)cs1)[C@@H](O)C(C)C ZINC000414524601 529181286 /nfs/dbraw/zinc/18/12/86/529181286.db2.gz IJDNMURJDSCYJB-OLZOCXBDSA-N 0 3 252.383 2.505 20 30 CFEDHN CC[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)C1 ZINC000330180682 529312636 /nfs/dbraw/zinc/31/26/36/529312636.db2.gz GCMVJIHVZFPMFI-HZSPNIEDSA-N 0 3 290.411 2.670 20 30 CFEDHN CC[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330180682 529312637 /nfs/dbraw/zinc/31/26/37/529312637.db2.gz GCMVJIHVZFPMFI-HZSPNIEDSA-N 0 3 290.411 2.670 20 30 CFEDHN CN(CCCCCO)Cc1ccc(C#N)cc1OC(F)F ZINC000434683214 536333113 /nfs/dbraw/zinc/33/31/13/536333113.db2.gz ZMWWJCBXNRWDAK-UHFFFAOYSA-N 0 3 298.333 2.754 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC000451492927 536645333 /nfs/dbraw/zinc/64/53/33/536645333.db2.gz QWMGARGBNVSWCG-WBVHZDCISA-N 0 3 288.391 2.860 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1F ZINC001085837041 782178838 /nfs/dbraw/zinc/17/88/38/782178838.db2.gz ARCWSZQIQDLDPJ-CQSZACIVSA-N 0 3 290.382 2.857 20 30 CFEDHN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C)s1 ZINC000753937142 574056767 /nfs/dbraw/zinc/05/67/67/574056767.db2.gz CKVQGHKCQQILLR-RYUDHWBXSA-N 0 3 276.409 2.641 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(C#N)cc2)CN1C1CC1 ZINC000753954069 574058790 /nfs/dbraw/zinc/05/87/90/574058790.db2.gz BHDJGRPZIFTANA-LLVKDONJSA-N 0 3 254.337 2.583 20 30 CFEDHN CC(=NNC(=N)N)c1ccc(OCc2ccccc2C)cc1 ZINC000727779702 574065283 /nfs/dbraw/zinc/06/52/83/574065283.db2.gz QJUIYWNHJHYVLJ-UHFFFAOYSA-N 0 3 296.374 2.781 20 30 CFEDHN CC(C)(C#N)CCN[C@@H](CCO)c1cccs1 ZINC000754389404 574102403 /nfs/dbraw/zinc/10/24/03/574102403.db2.gz RFHOSUJXHWZIGE-NSHDSACASA-N 0 3 252.383 2.701 20 30 CFEDHN Cc1ccc(CNCc2ccc(O[C@H](C)C#N)cc2)cn1 ZINC000728711384 574105736 /nfs/dbraw/zinc/10/57/36/574105736.db2.gz BFIOJTYBRDFHTB-CQSZACIVSA-N 0 3 281.359 2.971 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@@H]1CCCN(C)C1 ZINC000754864343 574125421 /nfs/dbraw/zinc/12/54/21/574125421.db2.gz FVGWTFKGDCSIMB-HNNXBMFYSA-N 0 3 283.460 2.988 20 30 CFEDHN C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CCCCC1 ZINC000746178884 574138795 /nfs/dbraw/zinc/13/87/95/574138795.db2.gz UVPVAVXGMVQBJI-HUUCEWRRSA-N 0 3 276.424 2.654 20 30 CFEDHN CC(C)CN(CCC#N)C(=O)c1cccc(CN(C)C)c1 ZINC000746174191 574138861 /nfs/dbraw/zinc/13/88/61/574138861.db2.gz LEDRWHAHBGOAFP-UHFFFAOYSA-N 0 3 287.407 2.760 20 30 CFEDHN CCO[C@H](C)C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000729067455 574167609 /nfs/dbraw/zinc/16/76/09/574167609.db2.gz KYHKGXBTSNEOHS-YPMHNXCESA-N 0 3 268.316 2.836 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCOC1 ZINC000755584461 574169368 /nfs/dbraw/zinc/16/93/68/574169368.db2.gz WVDUFZDEYJFAGD-BMIGLBTASA-N 0 3 286.356 2.899 20 30 CFEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000747108637 574180484 /nfs/dbraw/zinc/18/04/84/574180484.db2.gz IRZXIGBRZYYPTQ-IONNQARKSA-N 0 3 299.157 2.552 20 30 CFEDHN N#CC(C(=O)C1CCSCC1)c1nc2ccccc2[nH]1 ZINC000733052996 574184708 /nfs/dbraw/zinc/18/47/08/574184708.db2.gz HUIVVSSADVQMRF-LLVKDONJSA-N 0 3 285.372 2.882 20 30 CFEDHN CCCCCCCC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747217723 574187499 /nfs/dbraw/zinc/18/74/99/574187499.db2.gz WTBWZKKSUONWPF-UHFFFAOYSA-N 0 3 280.416 2.744 20 30 CFEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C#Cc2ccccc2)C1 ZINC000747368181 574193330 /nfs/dbraw/zinc/19/33/30/574193330.db2.gz APANFLOAWCNMDK-MRXNPFEDSA-N 0 3 298.430 2.665 20 30 CFEDHN C=CCOc1ccc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1 ZINC000733164649 574193474 /nfs/dbraw/zinc/19/34/74/574193474.db2.gz ANMKRQYFQAGRSR-INIZCTEOSA-N 0 3 290.407 2.567 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1nncc2ccccc21 ZINC000755880011 574193976 /nfs/dbraw/zinc/19/39/76/574193976.db2.gz NUJIOWWPRBETEB-LLVKDONJSA-N 0 3 281.363 2.512 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cc(F)c(F)c(F)c1 ZINC000755891663 574195017 /nfs/dbraw/zinc/19/50/17/574195017.db2.gz JYZVBDBQSDANCW-QMMMGPOBSA-N 0 3 283.297 2.986 20 30 CFEDHN Cc1ccc(N2CCN(C(=O)C(C)C#N)[C@@H](C)C2)cc1C ZINC000747923570 574220596 /nfs/dbraw/zinc/22/05/96/574220596.db2.gz ACBGWLUCXURFKL-CABCVRRESA-N 0 3 285.391 2.500 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000733324701 574221182 /nfs/dbraw/zinc/22/11/82/574221182.db2.gz UVNVOWBOMITGCV-UHFFFAOYSA-N 0 3 276.339 2.860 20 30 CFEDHN C=CCN1CCC(NC(=S)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000729942538 574239711 /nfs/dbraw/zinc/23/97/11/574239711.db2.gz IOGRGLAUQDDGSN-UKRRQHHQSA-N 0 3 295.496 2.680 20 30 CFEDHN C=CCCC(=O)C(C#N)C(=O)Nc1ccccc1Cl ZINC000733678888 574250789 /nfs/dbraw/zinc/25/07/89/574250789.db2.gz NOSDWOMNEPDSTB-SNVBAGLBSA-N 0 3 276.723 2.954 20 30 CFEDHN N#CC(C(=O)C[C@@H]1CCOC1)c1ccc2ccccc2n1 ZINC000740527590 574254261 /nfs/dbraw/zinc/25/42/61/574254261.db2.gz HQDCCKUDUCQDLE-JSGCOSHPSA-N 0 3 280.327 2.838 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756786045 574262754 /nfs/dbraw/zinc/26/27/54/574262754.db2.gz IGWXFBHLPNWZQS-NTZNESFSSA-N 0 3 279.355 2.854 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2cc(C)cc(C)c2)CC1 ZINC000740736214 574264774 /nfs/dbraw/zinc/26/47/74/574264774.db2.gz JNZDRGMHOCHHJB-UHFFFAOYSA-N 0 3 284.403 2.521 20 30 CFEDHN C#CCCN1CCC(NC(=O)c2cccc(C)c2C)CC1 ZINC000740735878 574264799 /nfs/dbraw/zinc/26/47/99/574264799.db2.gz SKBROVAVBWURQF-UHFFFAOYSA-N 0 3 284.403 2.521 20 30 CFEDHN Cc1ccc(N=NC2CCCC[C@@H]2N2CCCCC2)nn1 ZINC000748788212 574266012 /nfs/dbraw/zinc/26/60/12/574266012.db2.gz PFOBNVXFJNVWOG-HNNXBMFYSA-N 0 3 287.411 2.981 20 30 CFEDHN CCCNC(=S)NN=C1CCCC[C@@H]1N1CCCCC1 ZINC000748779880 574266192 /nfs/dbraw/zinc/26/61/92/574266192.db2.gz FTQJRWDDSGFMMJ-AWEZNQCLSA-N 0 3 296.484 2.645 20 30 CFEDHN CCCCCCCN1CCN(Cc2cnn(C)c2)CC1 ZINC000740877389 574272324 /nfs/dbraw/zinc/27/23/24/574272324.db2.gz FGSJGRLBKLOVPO-UHFFFAOYSA-N 0 3 278.444 2.508 20 30 CFEDHN C[C@H](c1ccccc1)N(CC(=O)NCCC#N)CC1CCC1 ZINC000740888731 574273098 /nfs/dbraw/zinc/27/30/98/574273098.db2.gz OUUIQTXDPSOVGK-OAHLLOKOSA-N 0 3 299.418 2.880 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCCOC2CCC2)cc1 ZINC000742385610 574279643 /nfs/dbraw/zinc/27/96/43/574279643.db2.gz KWBGHYFVHUAODG-ZDUSSCGKSA-N 0 3 274.364 2.636 20 30 CFEDHN C#CCN(CC)CCOc1ccc(OCCC)cc1 ZINC000749155485 574282724 /nfs/dbraw/zinc/28/27/24/574282724.db2.gz SKCDHYZNEULNET-UHFFFAOYSA-N 0 3 261.365 2.809 20 30 CFEDHN CCCNN=C1CCN(Cc2ccccc2)C[C@H]1C ZINC000734365722 574283982 /nfs/dbraw/zinc/28/39/82/574283982.db2.gz QXOLDKLWJAWOCK-CQSZACIVSA-N 0 3 259.397 2.884 20 30 CFEDHN C=C(C)CNC(=S)N1CCN(C2CCC(C)CC2)CC1 ZINC000734381629 574284525 /nfs/dbraw/zinc/28/45/25/574284525.db2.gz SMUUPMKYCHXSDY-UHFFFAOYSA-N 0 3 295.496 2.633 20 30 CFEDHN CCOc1ccc(/C=N/[C@@H]2CC[N@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741463436 574291199 /nfs/dbraw/zinc/29/11/99/574291199.db2.gz FQWIDYGFTUPFGL-JQWWKUHOSA-N 0 3 276.380 2.693 20 30 CFEDHN CCOc1ccc(/C=N/[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([O-])c1 ZINC000741463436 574291200 /nfs/dbraw/zinc/29/12/00/574291200.db2.gz FQWIDYGFTUPFGL-JQWWKUHOSA-N 0 3 276.380 2.693 20 30 CFEDHN C#CCN(CCCC(=O)OCC)[C@@H]1CCc2ccccc21 ZINC000749397298 574293473 /nfs/dbraw/zinc/29/34/73/574293473.db2.gz ZRVNQKMFUWSKCA-QGZVFWFLSA-N 0 3 285.387 2.952 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCOC1 ZINC000755584464 574297605 /nfs/dbraw/zinc/29/76/05/574297605.db2.gz WVDUFZDEYJFAGD-MEBBXXQBSA-N 0 3 286.356 2.899 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCOC1 ZINC000755584466 574297711 /nfs/dbraw/zinc/29/77/11/574297711.db2.gz WVDUFZDEYJFAGD-ZUZCIYMTSA-N 0 3 286.356 2.899 20 30 CFEDHN C[NH+](C)CC1CCC(/N=C\c2ccccc2[O-])CC1 ZINC000749581492 574300836 /nfs/dbraw/zinc/30/08/36/574300836.db2.gz CDKJFWGFTRYBOB-BOPFTXTBSA-N 0 3 260.381 2.932 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000741797858 574304306 /nfs/dbraw/zinc/30/43/06/574304306.db2.gz YQSLMUNPHJYMEZ-MRXNPFEDSA-N 0 3 272.392 2.998 20 30 CFEDHN CC(=NN[C@@H](C)CO)c1ccc(N2CCCCCC2)cc1 ZINC000749815187 574310733 /nfs/dbraw/zinc/31/07/33/574310733.db2.gz VOXCDDVDGHUZLS-AWEZNQCLSA-N 0 3 289.423 2.761 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@@H](CC)CCCC)CC1 ZINC000742179723 574317253 /nfs/dbraw/zinc/31/72/53/574317253.db2.gz IHRPMTINLBIFDZ-HNNXBMFYSA-N 0 3 278.440 2.807 20 30 CFEDHN C=CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735413772 574322929 /nfs/dbraw/zinc/32/29/29/574322929.db2.gz ZTCMQQNCFWMEAK-UHFFFAOYSA-N 0 3 271.368 2.653 20 30 CFEDHN C=CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735413772 574322930 /nfs/dbraw/zinc/32/29/30/574322930.db2.gz ZTCMQQNCFWMEAK-UHFFFAOYSA-N 0 3 271.368 2.653 20 30 CFEDHN C=CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735413772 574322932 /nfs/dbraw/zinc/32/29/32/574322932.db2.gz ZTCMQQNCFWMEAK-UHFFFAOYSA-N 0 3 271.368 2.653 20 30 CFEDHN C=CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735413772 574322934 /nfs/dbraw/zinc/32/29/34/574322934.db2.gz ZTCMQQNCFWMEAK-UHFFFAOYSA-N 0 3 271.368 2.653 20 30 CFEDHN C=CCOc1ccc(CNC[C@@](C)(O)c2ccco2)cc1 ZINC000742375157 574325706 /nfs/dbraw/zinc/32/57/06/574325706.db2.gz JMVBESQNVJCWMK-QGZVFWFLSA-N 0 3 287.359 2.842 20 30 CFEDHN C=CCCCN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000735491961 574327008 /nfs/dbraw/zinc/32/70/08/574327008.db2.gz RDJCBCXUMCXSEX-ZDUSSCGKSA-N 0 3 268.401 2.942 20 30 CFEDHN C#CCNC(=O)CN1CCCCC[C@H]1c1cccc(C)c1 ZINC000735495273 574327583 /nfs/dbraw/zinc/32/75/83/574327583.db2.gz SJSHDFLIGJRCNU-KRWDZBQOSA-N 0 3 284.403 2.662 20 30 CFEDHN C=C(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000725848908 574329032 /nfs/dbraw/zinc/32/90/32/574329032.db2.gz CMGKKQLMHRHQJU-UHFFFAOYSA-N 0 3 283.327 2.924 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3C[C@@H]3C)nc21 ZINC000735793127 574336125 /nfs/dbraw/zinc/33/61/25/574336125.db2.gz QRYCKBYCQOBHHT-GARJFASQSA-N 0 3 253.305 2.704 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@H]3C[C@@H]3C)[nH]c21 ZINC000735793127 574336126 /nfs/dbraw/zinc/33/61/26/574336126.db2.gz QRYCKBYCQOBHHT-GARJFASQSA-N 0 3 253.305 2.704 20 30 CFEDHN CC(C)[N@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735860843 574341101 /nfs/dbraw/zinc/34/11/01/574341101.db2.gz PJMFXBBLQBMIGA-UHFFFAOYSA-N 0 3 298.394 2.771 20 30 CFEDHN CC(C)[N@@H+](CCCCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735860843 574341103 /nfs/dbraw/zinc/34/11/03/574341103.db2.gz PJMFXBBLQBMIGA-UHFFFAOYSA-N 0 3 298.394 2.771 20 30 CFEDHN CC(C)[N@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735860843 574341105 /nfs/dbraw/zinc/34/11/05/574341105.db2.gz PJMFXBBLQBMIGA-UHFFFAOYSA-N 0 3 298.394 2.771 20 30 CFEDHN CC(C)[N@@H+](CCCCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735860843 574341107 /nfs/dbraw/zinc/34/11/07/574341107.db2.gz PJMFXBBLQBMIGA-UHFFFAOYSA-N 0 3 298.394 2.771 20 30 CFEDHN C#CCOc1ccc(NC(=O)[C@@H](CC)N(CC)CC)cc1 ZINC000736015554 574347482 /nfs/dbraw/zinc/34/74/82/574347482.db2.gz OUGDAFKSJURMAC-MRXNPFEDSA-N 0 3 288.391 2.758 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000743493492 574367107 /nfs/dbraw/zinc/36/71/07/574367107.db2.gz WIQUFXJTUMTGDR-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744021730 574375792 /nfs/dbraw/zinc/37/57/92/574375792.db2.gz DHYZEKVCWWYUPG-QWHCGFSZSA-N 0 3 290.363 2.788 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1cccc2c1CCCC2 ZINC000752163861 574388668 /nfs/dbraw/zinc/38/86/68/574388668.db2.gz FBOIFXSFQIDWAI-LBPRGKRZSA-N 0 3 257.381 2.915 20 30 CFEDHN C[C@@H]1CN(C)CC1N=Nc1ccc(OC(F)(F)F)cc1 ZINC000752161985 574388712 /nfs/dbraw/zinc/38/87/12/574388712.db2.gz YTCIYGKHVHVLSS-SECBINFHSA-N 0 3 287.285 2.935 20 30 CFEDHN CCCCCCCCCCN1CCN2C(=O)NC[C@H]2C1 ZINC000752332683 574390448 /nfs/dbraw/zinc/39/04/48/574390448.db2.gz RJCAWTRHNVTOQO-HNNXBMFYSA-N 0 3 281.444 2.837 20 30 CFEDHN N#Cc1ccc(C(=O)C(C#N)c2ccc3ccccc3n2)[nH]1 ZINC000752474424 574391728 /nfs/dbraw/zinc/39/17/28/574391728.db2.gz UKYPBHLNSAZMSF-CYBMUJFWSA-N 0 3 286.294 2.925 20 30 CFEDHN C#C[C@@H](CC)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000753063471 574397995 /nfs/dbraw/zinc/39/79/95/574397995.db2.gz UBQXYXFIKMAJNW-DLBZAZTESA-N 0 3 299.418 2.535 20 30 CFEDHN CC[C@@H]1C[C@@H](CN2CCC[C@@](C)(C#N)C2)CCO1 ZINC000753585707 574405448 /nfs/dbraw/zinc/40/54/48/574405448.db2.gz AWGHJPVFMAAXQD-ZNMIVQPWSA-N 0 3 250.386 2.817 20 30 CFEDHN C#CCOCCN[C@H](CC)c1cc(F)ccc1F ZINC000753762473 574409802 /nfs/dbraw/zinc/40/98/02/574409802.db2.gz RTQWTIQUZZHDFO-CQSZACIVSA-N 0 3 253.292 2.655 20 30 CFEDHN C#CCSCCN[C@H](CC)c1ccc(F)cn1 ZINC000226619210 619152908 /nfs/dbraw/zinc/15/29/08/619152908.db2.gz FYDQXPNBIUYJSX-GFCCVEGCSA-N 0 3 252.358 2.628 20 30 CFEDHN C=C1CCC(C(=O)N[C@H]2CCCN(CCCF)C2)CC1 ZINC001008402341 651147588 /nfs/dbraw/zinc/14/75/88/651147588.db2.gz AMVSDJBTPRWWMN-HNNXBMFYSA-N 0 3 282.403 2.673 20 30 CFEDHN CCC[C@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900611991 620694870 /nfs/dbraw/zinc/69/48/70/620694870.db2.gz JSDKHFIQMDZXMQ-ZDUSSCGKSA-N 0 3 275.400 2.942 20 30 CFEDHN CC(C)[C@@H](N)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900618667 620696211 /nfs/dbraw/zinc/69/62/11/620696211.db2.gz ZYQHZCQINVZKHX-CQSZACIVSA-N 0 3 275.400 2.798 20 30 CFEDHN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000824764881 609142058 /nfs/dbraw/zinc/14/20/58/609142058.db2.gz ZMBRPHZTBGTFFZ-GFCCVEGCSA-N 0 3 296.378 2.553 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sccc2C)C1 ZINC001009945368 651168184 /nfs/dbraw/zinc/16/81/84/651168184.db2.gz WIEBIVMBZKJUSJ-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)C1 ZINC000970787216 612995075 /nfs/dbraw/zinc/99/50/75/612995075.db2.gz WUVDWJPKSAGHEA-OAHLLOKOSA-N 0 3 298.430 2.883 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000981432560 613003768 /nfs/dbraw/zinc/00/37/68/613003768.db2.gz DTKYINWMHOAXNC-QGZVFWFLSA-N 0 3 288.435 2.681 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000983387422 613004939 /nfs/dbraw/zinc/00/49/39/613004939.db2.gz CLYVYRVBMPTLNB-IRXDYDNUSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968215021 613013062 /nfs/dbraw/zinc/01/30/62/613013062.db2.gz UWRCIAWYQSWSLU-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566387 613013977 /nfs/dbraw/zinc/01/39/77/613013977.db2.gz RURLXQJRKMXMMM-VQHPVUNQSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965476510 613015427 /nfs/dbraw/zinc/01/54/27/613015427.db2.gz MNSBYBCFRRZERX-NVXWUHKLSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC000968589164 613015698 /nfs/dbraw/zinc/01/56/98/613015698.db2.gz RQDZYYWWZVTTAE-SJLPKXTDSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607208 613015877 /nfs/dbraw/zinc/01/58/77/613015877.db2.gz POQKIYAYSVIQOM-CRAIPNDOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC000968607003 613023282 /nfs/dbraw/zinc/02/32/82/613023282.db2.gz NDFFQOJREYNGIK-YJBOKZPZSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968340512 613024922 /nfs/dbraw/zinc/02/49/22/613024922.db2.gz PVRDAIZWYSOXEJ-MAUKXSAKSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977570848 613032885 /nfs/dbraw/zinc/03/28/85/613032885.db2.gz HXGOQJVLNCMNHO-QGZVFWFLSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2c(C)cccc2C)C(C)(C)C1 ZINC000975060775 613038380 /nfs/dbraw/zinc/03/83/80/613038380.db2.gz BJIMKAIDELEKLL-INIZCTEOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C2(C)CCCCC2)CC1 ZINC000948743557 613161408 /nfs/dbraw/zinc/16/14/08/613161408.db2.gz XLGVSSMXTPLPHK-MRXNPFEDSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC000948680423 613162240 /nfs/dbraw/zinc/16/22/40/613162240.db2.gz IEXXDKQKKPTMDA-DLBZAZTESA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)c2ccc(C)s2)CC1 ZINC000948151669 613163456 /nfs/dbraw/zinc/16/34/56/613163456.db2.gz GGZGZFGOLSICOK-CQSZACIVSA-N 0 3 290.432 2.616 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)CC2CCCCC2)CC1 ZINC000948166590 613177661 /nfs/dbraw/zinc/17/76/61/613177661.db2.gz WWFPBUADYISMNK-KRWDZBQOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)CC2=CCCCC2)CC1 ZINC000948248249 613177919 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299.418 2.637 20 30 CFEDHN CCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC000940493700 614436354 /nfs/dbraw/zinc/43/63/54/614436354.db2.gz UHIQPKRMTPZELK-INIZCTEOSA-N 0 3 299.418 2.685 20 30 CFEDHN CC[C@H](c1ccccc1)N1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980838529 615868598 /nfs/dbraw/zinc/86/85/98/615868598.db2.gz RTINXALZDYKWHV-NVXWUHKLSA-N 0 3 299.418 2.832 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493750 618028715 /nfs/dbraw/zinc/02/87/15/618028715.db2.gz VWMUCHDCOJTSQJ-DLBZAZTESA-N 0 3 288.435 2.513 20 30 CFEDHN CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021634156 618096651 /nfs/dbraw/zinc/09/66/51/618096651.db2.gz XEZGCTKXNMOQPE-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021634160 618096884 /nfs/dbraw/zinc/09/68/84/618096884.db2.gz XEZGCTKXNMOQPE-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccncc1 ZINC000034992782 617607726 /nfs/dbraw/zinc/60/77/26/617607726.db2.gz 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/nfs/dbraw/zinc/97/62/00/617976200.db2.gz CDYKZRKGWMKAQR-UPJWGTAASA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001022662951 617976383 /nfs/dbraw/zinc/97/63/83/617976383.db2.gz ZYKVZAJNXUFWIQ-MQYQWHSLSA-N 0 3 284.831 2.802 20 30 CFEDHN CCN(CCCOc1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000161125004 617979086 /nfs/dbraw/zinc/97/90/86/617979086.db2.gz QLQCKBLSCUNBSC-UHFFFAOYSA-N 0 3 298.390 2.583 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(N2CCOCC2)cc1 ZINC000158128633 618030997 /nfs/dbraw/zinc/03/09/97/618030997.db2.gz NCFNSQYMMVKGCI-UHFFFAOYSA-N 0 3 272.392 2.697 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021521789 618040646 /nfs/dbraw/zinc/04/06/46/618040646.db2.gz AVGOZJRLIPINAF-IAGOWNOFSA-N 0 3 290.451 2.759 20 30 CFEDHN C=Cc1ccc(C(=O)N[C@H]2C[C@@H](NCC(=C)Cl)C2)cc1 ZINC001022756473 618056242 /nfs/dbraw/zinc/05/62/42/618056242.db2.gz WDDRGVJFRUOYTO-GASCZTMLSA-N 0 3 290.794 2.933 20 30 CFEDHN CN(C)c1ccc(C=NN[C@H]2CCOC(C)(C)C2)cc1 ZINC000780251162 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ZINC000926548849 618195101 /nfs/dbraw/zinc/19/51/01/618195101.db2.gz CBWKYOVLSSJEHB-CYBMUJFWSA-N 0 3 256.353 2.884 20 30 CFEDHN C#CCC1(NCC(=O)Nc2ccc3c(c2)CCC3)CCC1 ZINC000933303952 618196395 /nfs/dbraw/zinc/19/63/95/618196395.db2.gz VAOLGRBBNCECGN-UHFFFAOYSA-N 0 3 282.387 2.649 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603516 618204315 /nfs/dbraw/zinc/20/43/15/618204315.db2.gz VPBOUZGTGSMGSZ-BRWVUGGUSA-N 0 3 290.451 2.520 20 30 CFEDHN C[C@]1(NCC2(CC#N)CC2)CCOc2ccccc21 ZINC000933369139 618211577 /nfs/dbraw/zinc/21/15/77/618211577.db2.gz GZEYTDSGCYNCMB-HNNXBMFYSA-N 0 3 256.349 2.968 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2cc(C)ccc2C)C1 ZINC001023721391 618216542 /nfs/dbraw/zinc/21/65/42/618216542.db2.gz BVMGFPXLQQYGLA-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001023730916 618217994 /nfs/dbraw/zinc/21/79/94/618217994.db2.gz KXHMHDBSALKWIF-QGZVFWFLSA-N 0 3 298.430 2.769 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001022109027 618218792 /nfs/dbraw/zinc/21/87/92/618218792.db2.gz BKODBGIEKASZKP-QKGCVVFFSA-N 0 3 294.826 2.578 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000312329633 618247471 /nfs/dbraw/zinc/24/74/71/618247471.db2.gz BFQZZMSKIIFBFV-AWEZNQCLSA-N 0 3 271.364 2.726 20 30 CFEDHN C[C@@H](C#N)OCCN(C)Cc1cccc(Br)c1 ZINC000310191727 618270596 /nfs/dbraw/zinc/27/05/96/618270596.db2.gz XMWYSSXQXUVQTM-NSHDSACASA-N 0 3 297.196 2.810 20 30 CFEDHN C=CCOCCNCc1cc(Cl)ccc1OC ZINC000310208864 618272602 /nfs/dbraw/zinc/27/26/02/618272602.db2.gz FTWQCAAEMMSGQK-UHFFFAOYSA-N 0 3 255.745 2.641 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001024359287 618300719 /nfs/dbraw/zinc/30/07/19/618300719.db2.gz UPJRRMCBEFVGPG-QGZVFWFLSA-N 0 3 290.451 2.951 20 30 CFEDHN C=CCCCCC[C@H](C)NCc1ncnn1CC ZINC000793570827 618302246 /nfs/dbraw/zinc/30/22/46/618302246.db2.gz XYXQODSIUGCEMF-ZDUSSCGKSA-N 0 3 250.390 2.913 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024391965 618309498 /nfs/dbraw/zinc/30/94/98/618309498.db2.gz IVHOVUTYFSLMMH-OAHLLOKOSA-N 0 3 262.397 2.644 20 30 CFEDHN C=C(Br)CNCCCc1ccc(C)nc1 ZINC000309192497 618326775 /nfs/dbraw/zinc/32/67/75/618326775.db2.gz PWWAHDDSMIWXFN-UHFFFAOYSA-N 0 3 269.186 2.821 20 30 CFEDHN COc1ccccc1OCCN(C)[C@@H](C)CCC#N ZINC000411180237 618342279 /nfs/dbraw/zinc/34/22/79/618342279.db2.gz RDSJZBATSNNWBE-ZDUSSCGKSA-N 0 3 262.353 2.698 20 30 CFEDHN CN(C)[C@H](CNCC#Cc1ccccc1)c1cccs1 ZINC000893322598 618342855 /nfs/dbraw/zinc/34/28/55/618342855.db2.gz VDXXJPUOROPKRU-MRXNPFEDSA-N 0 3 284.428 2.992 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024564559 618378090 /nfs/dbraw/zinc/37/80/90/618378090.db2.gz KQRZFTIQFQKLMY-HLLBOEOZSA-N 0 3 276.424 2.723 20 30 CFEDHN C[C@@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159043 618405569 /nfs/dbraw/zinc/40/55/69/618405569.db2.gz CAIYPNPWJAQHIZ-ZFWWWQNUSA-N 0 3 290.407 2.713 20 30 CFEDHN Cc1ccc([C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCN([O-])C2=O)cc1 ZINC000895161722 618409013 /nfs/dbraw/zinc/40/90/13/618409013.db2.gz TYBQVSODUXEIPH-JYJNAYRXSA-N 0 3 288.391 2.601 20 30 CFEDHN C=C(C)CNC(=S)N(CCN(C)C)CC1CCCCC1 ZINC000066009886 618422035 /nfs/dbraw/zinc/42/20/35/618422035.db2.gz NUNCLPDPCLXCKS-UHFFFAOYSA-N 0 3 297.512 2.881 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024633592 618426619 /nfs/dbraw/zinc/42/66/19/618426619.db2.gz LJRUPINLUVGYJS-KRWDZBQOSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638296 618427998 /nfs/dbraw/zinc/42/79/98/618427998.db2.gz TWCKRXSFLSFDJB-UYSNPLJNSA-N 0 3 294.414 2.509 20 30 CFEDHN Cc1ncsc1CCNCc1cc(C#N)cnc1Cl ZINC000877564481 618436516 /nfs/dbraw/zinc/43/65/16/618436516.db2.gz BWNSSJBSZHDJEF-UHFFFAOYSA-N 0 3 292.795 2.704 20 30 CFEDHN C[C@@H](CNCC#Cc1ccccc1)C(=O)OC(C)(C)C ZINC000895210743 618476926 /nfs/dbraw/zinc/47/69/26/618476926.db2.gz SIAWNRRTQAXQCX-AWEZNQCLSA-N 0 3 273.376 2.606 20 30 CFEDHN C#CCCCCCCOC(=O)C1CCCN(C2CC2)C1=O ZINC000909509969 618492583 /nfs/dbraw/zinc/49/25/83/618492583.db2.gz XOJHZSGXAICKOY-HNNXBMFYSA-N 0 3 291.391 2.514 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)CC1 ZINC000892852181 618757811 /nfs/dbraw/zinc/75/78/11/618757811.db2.gz WYCRNBJXXMHDAJ-NUEKZKHPSA-N 0 3 291.439 2.515 20 30 CFEDHN C[C@](O)(CNCC#Cc1ccccc1)c1cccs1 ZINC000892992044 618793930 /nfs/dbraw/zinc/79/39/30/618793930.db2.gz MAGAWPNBFJICDB-INIZCTEOSA-N 0 3 271.385 2.597 20 30 CFEDHN Cc1nc(CCNCC#Cc2ccccc2)sc1C ZINC000893156732 618850543 /nfs/dbraw/zinc/85/05/43/618850543.db2.gz SNBUXWYEACFYKV-UHFFFAOYSA-N 0 3 270.401 2.944 20 30 CFEDHN C[C@H](CC(C)(C)C#N)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000925539677 618897681 /nfs/dbraw/zinc/89/76/81/618897681.db2.gz CSMJNDMCFOARLD-HIFRSBDPSA-N 0 3 291.439 2.838 20 30 CFEDHN C#CC[C@H](N[C@H]1C[C@@H](OCC)[C@@H]1OC)c1ccccc1 ZINC000893239178 618899647 /nfs/dbraw/zinc/89/96/47/618899647.db2.gz QEKHUQPOEHYFMB-MWDXBVQZSA-N 0 3 273.376 2.533 20 30 CFEDHN C[C@]1(Br)C[C@H]1CN1CCC(C)(C#N)CC1 ZINC000893471674 619010997 /nfs/dbraw/zinc/01/09/97/619010997.db2.gz TZLRLDFEQDRXQY-JQWIXIFHSA-N 0 3 271.202 2.786 20 30 CFEDHN Cc1cc(CN(C)CCc2cccc(C#N)c2)c(C)nn1 ZINC000931510454 619017173 /nfs/dbraw/zinc/01/71/73/619017173.db2.gz UMHBZRLWDZINQT-UHFFFAOYSA-N 0 3 280.375 2.640 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009747345 619024783 /nfs/dbraw/zinc/02/47/83/619024783.db2.gz AWCSRKIPXUTRED-CQSZACIVSA-N 0 3 290.451 2.663 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)CC)cc1 ZINC000105263007 619084275 /nfs/dbraw/zinc/08/42/75/619084275.db2.gz VKNJDGNAEYYSSN-SMDDNHRTSA-N 0 3 272.348 2.942 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001010366460 619153136 /nfs/dbraw/zinc/15/31/36/619153136.db2.gz LHHAETKHYJVFOK-OAHLLOKOSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCNC(=O)CN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340741 619331155 /nfs/dbraw/zinc/33/11/55/619331155.db2.gz OTYXQPHSZFBKST-MAUKXSAKSA-N 0 3 284.403 2.517 20 30 CFEDHN C=C(C)COCCNCc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894336146 619338405 /nfs/dbraw/zinc/33/84/05/619338405.db2.gz FRQOJSCHVOYMJG-UHFFFAOYSA-N 0 3 294.395 2.607 20 30 CFEDHN N#CC(C(=O)C[C@H]1C=CCC1)C(=O)NC1CCCCC1 ZINC000048541051 619353977 /nfs/dbraw/zinc/35/39/77/619353977.db2.gz BLIMKADJBXKBFZ-GXTWGEPZSA-N 0 3 274.364 2.500 20 30 CFEDHN C=CCCN(C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC000894534392 619411811 /nfs/dbraw/zinc/41/18/11/619411811.db2.gz ZSWQSXLFPMERQQ-UHFFFAOYSA-N 0 3 272.348 2.962 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)c1c(C)cc(C#N)cc1C ZINC000894614821 619430080 /nfs/dbraw/zinc/43/00/80/619430080.db2.gz AOBAPHLGVDFAOR-INIZCTEOSA-N 0 3 299.418 2.779 20 30 CFEDHN C#CC[C@H]1CCN(Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895562477 619556289 /nfs/dbraw/zinc/55/62/89/619556289.db2.gz HRMLXMLVQFOZCE-LBPRGKRZSA-N 0 3 286.375 2.524 20 30 CFEDHN C=CCc1cc(CN2CC[C@@H](CF)C2)cc(OC)c1O ZINC000895574771 619557815 /nfs/dbraw/zinc/55/78/15/619557815.db2.gz ZOKIHQXESDNOBU-LBPRGKRZSA-N 0 3 279.355 2.921 20 30 CFEDHN CCn1cc(CN(C)CCc2cccc(C#N)c2)c(C)n1 ZINC000895784969 619606188 /nfs/dbraw/zinc/60/61/88/619606188.db2.gz ADXJYOZWDZONJF-UHFFFAOYSA-N 0 3 282.391 2.758 20 30 CFEDHN COc1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000895786475 619606657 /nfs/dbraw/zinc/60/66/57/619606657.db2.gz VJKYNFRBXBBKNE-UHFFFAOYSA-N 0 3 270.332 2.834 20 30 CFEDHN C#CCN1CCC(Nc2ccnc3c(F)cccc23)CC1 ZINC000895808306 619612433 /nfs/dbraw/zinc/61/24/33/619612433.db2.gz LDQGCKNNKAAGTD-UHFFFAOYSA-N 0 3 283.350 2.883 20 30 CFEDHN C=CCC1(O)CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000895828244 619612662 /nfs/dbraw/zinc/61/26/62/619612662.db2.gz UBLPQHKASQCKSK-UHFFFAOYSA-N 0 3 261.365 2.604 20 30 CFEDHN CCOc1ccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000895862082 619620753 /nfs/dbraw/zinc/62/07/53/619620753.db2.gz UYJAVSHRWQKBCE-OAHLLOKOSA-N 0 3 282.343 2.807 20 30 CFEDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000841898549 619683969 /nfs/dbraw/zinc/68/39/69/619683969.db2.gz NQPCFVYZLOGDFI-STQMWFEESA-N 0 3 295.427 2.962 20 30 CFEDHN N#CC1CCC(N[C@@H](c2ncccn2)C2CC2)CC1 ZINC000896599038 619772374 /nfs/dbraw/zinc/77/23/74/619772374.db2.gz NSASPHRKZYOFLC-UXUKBGGZSA-N 0 3 256.353 2.600 20 30 CFEDHN C=CCC[C@H](CC)NCc1noc2c1COCC2 ZINC000897367232 620064512 /nfs/dbraw/zinc/06/45/12/620064512.db2.gz WLLCNJORIWXECH-NSHDSACASA-N 0 3 250.342 2.582 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCCC3(CC3)C2)nn1 ZINC000897772352 620278980 /nfs/dbraw/zinc/27/89/80/620278980.db2.gz RQOXRKAJMBXQBQ-ZDUSSCGKSA-N 0 3 260.385 2.667 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)N[C@@H](C)c1cncs1 ZINC000897931045 620302086 /nfs/dbraw/zinc/30/20/86/620302086.db2.gz VFGFWFIFTSIKBE-RYUDHWBXSA-N 0 3 279.409 2.893 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC000989717429 620387856 /nfs/dbraw/zinc/38/78/56/620387856.db2.gz FLGWWRUQBRLCJP-RDTXWAMCSA-N 0 3 292.382 2.666 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3ccccc3c2)C1 ZINC000989717428 620388133 /nfs/dbraw/zinc/38/81/33/620388133.db2.gz FLGWWRUQBRLCJP-KSSFIOAISA-N 0 3 292.382 2.666 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccsc2C(F)F)C1 ZINC000989734338 620388293 /nfs/dbraw/zinc/38/82/93/620388293.db2.gz SYTCJZIAGDHITC-UWVGGRQHSA-N 0 3 298.358 2.512 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000989763204 620390292 /nfs/dbraw/zinc/39/02/92/620390292.db2.gz LOZHJAYAMRIXDC-INIZCTEOSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(CC(C)C)cc2)C1 ZINC000989779229 620392170 /nfs/dbraw/zinc/39/21/70/620392170.db2.gz OLEFNIMTDAKFBZ-YJBOKZPZSA-N 0 3 298.430 2.711 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cccc(F)c3)CCC[C@@H]12 ZINC000989916199 620401824 /nfs/dbraw/zinc/40/18/24/620401824.db2.gz QOVZNELLNCDWHX-WBVHZDCISA-N 0 3 288.366 2.739 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989919894 620402826 /nfs/dbraw/zinc/40/28/26/620402826.db2.gz VWXGIBIZEQPWAH-RDJZCZTQSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989928510 620403647 /nfs/dbraw/zinc/40/36/47/620403647.db2.gz IFWPVODUMBVRPI-SJLPKXTDSA-N 0 3 284.403 2.908 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989933357 620403848 /nfs/dbraw/zinc/40/38/48/620403848.db2.gz YLNAIPOLTQUXLT-DOTOQJQBSA-N 0 3 288.391 2.891 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)oc3C)CCC[C@H]12 ZINC000989945583 620404613 /nfs/dbraw/zinc/40/46/13/620404613.db2.gz NRQRCCWSAWQRJT-DOTOQJQBSA-N 0 3 288.391 2.809 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C=C3CCCCC3)CCC[C@H]12 ZINC000989998592 620407279 /nfs/dbraw/zinc/40/72/79/620407279.db2.gz GIUUVEDEYYYQKU-FUHWJXTLSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@H]12 ZINC000990149067 620409803 /nfs/dbraw/zinc/40/98/03/620409803.db2.gz LONBHOGFLZVYHJ-SCLBCKFNSA-N 0 3 290.451 2.968 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@@H]12 ZINC000990250430 620413353 /nfs/dbraw/zinc/41/33/53/620413353.db2.gz JUKNYZLTBLQABR-NVXWUHKLSA-N 0 3 288.391 2.809 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000901568474 620859537 /nfs/dbraw/zinc/85/95/37/620859537.db2.gz XHSOTLIXOBSTGI-WOPDTQHZSA-N 0 3 289.301 2.520 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@@H]1CCC2(CCC2)O1 ZINC000901631795 620875906 /nfs/dbraw/zinc/87/59/06/620875906.db2.gz POVVMIQVAHNJRK-KGLIPLIRSA-N 0 3 261.369 2.511 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990905273 620925389 /nfs/dbraw/zinc/92/53/89/620925389.db2.gz FTQAWRWYJHTRLD-AEFFLSMTSA-N 0 3 299.418 2.611 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC[C@@H]12 ZINC000990997892 621068952 /nfs/dbraw/zinc/06/89/52/621068952.db2.gz NXTHAUXYGJMRDQ-UMVBOHGHSA-N 0 3 298.377 2.721 20 30 CFEDHN CC(C)N(CCO[C@@H](C)C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000801915452 621106386 /nfs/dbraw/zinc/10/63/86/621106386.db2.gz LMNVOZYEUQRHPO-ZDUSSCGKSA-N 0 3 291.351 2.734 20 30 CFEDHN Cc1nc(CCN[C@@H](C)c2cc(C#N)ccn2)cs1 ZINC000902736185 621161281 /nfs/dbraw/zinc/16/12/81/621161281.db2.gz FNUZFVLZBKLOPI-JTQLQIEISA-N 0 3 272.377 2.612 20 30 CFEDHN C=CCC[C@H](NCc1nccn1C)[C@@]1(C)CCCCO1 ZINC000902789630 621177173 /nfs/dbraw/zinc/17/71/73/621177173.db2.gz LQGWTMPUNITPLS-GOEBONIOSA-N 0 3 277.412 2.804 20 30 CFEDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000902818187 621181030 /nfs/dbraw/zinc/18/10/30/621181030.db2.gz KTMHTSCYTLKCRQ-DAXOMENPSA-N 0 3 285.391 2.952 20 30 CFEDHN C[C@H](C[C@@H](O)c1ccco1)N[C@H](C)c1cc(C#N)ccn1 ZINC000902846863 621190269 /nfs/dbraw/zinc/19/02/69/621190269.db2.gz AQZYTWPCPBELDK-LALPHHSUSA-N 0 3 285.347 2.709 20 30 CFEDHN CC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1cccc(C#N)c1 ZINC000902869315 621192459 /nfs/dbraw/zinc/19/24/59/621192459.db2.gz UTQKDNNIERDSFD-HOTGVXAUSA-N 0 3 285.391 2.608 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000902874900 621194729 /nfs/dbraw/zinc/19/47/29/621194729.db2.gz JJKQVYOHLCSSPN-HOTGVXAUSA-N 0 3 299.418 2.998 20 30 CFEDHN CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902887038 621199661 /nfs/dbraw/zinc/19/96/61/621199661.db2.gz DMBFYGSEQIVJOK-SWLSCSKDSA-N 0 3 275.396 2.647 20 30 CFEDHN C[C@@H](NC[C@](C)(O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902889050 621200465 /nfs/dbraw/zinc/20/04/65/621200465.db2.gz ACRPEJFLJAOMKS-PXAZEXFGSA-N 0 3 299.349 2.651 20 30 CFEDHN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902966248 621210640 /nfs/dbraw/zinc/21/06/40/621210640.db2.gz BZSMXLQOCKJBRF-YOEHRIQHSA-N 0 3 295.386 2.516 20 30 CFEDHN C[C@H](NC[C@@H]1CCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000902962695 621215387 /nfs/dbraw/zinc/21/53/87/621215387.db2.gz KASKBNAZYCIVGX-AAEUAGOBSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@@H](NC[C@H](CO)CC1CCCC1)c1cc(C#N)ccn1 ZINC000902979959 621216555 /nfs/dbraw/zinc/21/65/55/621216555.db2.gz WMFZIMOWDIEYCN-CZUORRHYSA-N 0 3 287.407 2.793 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](N[C@H](C)c2cc(C#N)ccn2)C1 ZINC000903016412 621222050 /nfs/dbraw/zinc/22/20/50/621222050.db2.gz JYDKGTDRJDHVOX-BNOWGMLFSA-N 0 3 259.353 2.560 20 30 CFEDHN CO[C@@H]1C[C@H](N[C@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000903017197 621222323 /nfs/dbraw/zinc/22/23/23/621222323.db2.gz LUCQRVCXHBYBCK-BYCMXARLSA-N 0 3 271.364 2.561 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000903017854 621222575 /nfs/dbraw/zinc/22/25/75/621222575.db2.gz ZFRSHLOFJDOMNB-IXDOHACOSA-N 0 3 297.402 2.752 20 30 CFEDHN C[C@H](NCC(C)(C)c1ccccn1)c1cc(C#N)ccn1 ZINC000903005342 621227869 /nfs/dbraw/zinc/22/78/69/621227869.db2.gz SQQLWGJPRMMBDA-ZDUSSCGKSA-N 0 3 280.375 2.977 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000903037806 621231198 /nfs/dbraw/zinc/23/11/98/621231198.db2.gz BWNSOLFQXYMSJM-SUNYJGFJSA-N 0 3 295.386 2.900 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)NC(C)C)c1cccc(C#N)c1 ZINC000903023085 621233358 /nfs/dbraw/zinc/23/33/58/621233358.db2.gz CXGCEIYOXBGHQF-WFASDCNBSA-N 0 3 273.380 2.512 20 30 CFEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCO[C@@H](C)C#N ZINC000801940732 621239929 /nfs/dbraw/zinc/23/99/29/621239929.db2.gz DJPWNIXUMBYPDK-NWDGAFQWSA-N 0 3 278.400 2.526 20 30 CFEDHN CC[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000903077213 621244286 /nfs/dbraw/zinc/24/42/86/621244286.db2.gz FUBHZIXYQUVSIX-XDTLVQLUSA-N 0 3 286.297 2.911 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1cn(C)nc1Br ZINC000903189095 621285872 /nfs/dbraw/zinc/28/58/72/621285872.db2.gz OOEPNXAHVVNXGW-UWVGGRQHSA-N 0 3 286.217 2.873 20 30 CFEDHN C=CCC[C@H](NCc1cn(C)cn1)[C@H]1Cc2ccccc2O1 ZINC000903352534 621344582 /nfs/dbraw/zinc/34/45/82/621344582.db2.gz USLNVVMJDYQGHI-FUHWJXTLSA-N 0 3 297.402 2.848 20 30 CFEDHN C[C@@H](NCc1ccc(CCO)cc1)c1cccc(C#N)c1 ZINC000903402319 621369119 /nfs/dbraw/zinc/36/91/19/621369119.db2.gz BSVWKWHMWCOUIF-CQSZACIVSA-N 0 3 280.371 2.944 20 30 CFEDHN C[C@H](N[C@H]1COC[C@@H]1C1CC1)c1ccc(C#N)cc1F ZINC000903438152 621375546 /nfs/dbraw/zinc/37/55/46/621375546.db2.gz SAWZAXYCHYMXOO-JJMVLAAESA-N 0 3 274.339 2.773 20 30 CFEDHN C=CCCC[C@H](N)c1nc(-c2ccn3cncc3c2)no1 ZINC000904706771 621627646 /nfs/dbraw/zinc/62/76/46/621627646.db2.gz BUVJAYKVUUBNMP-ZDUSSCGKSA-N 0 3 283.335 2.740 20 30 CFEDHN CC(C)Oc1cccc(/C=C2/C(=O)c3ncnn3C2C)c1 ZINC000905081197 621690860 /nfs/dbraw/zinc/69/08/60/621690860.db2.gz PSJLIRRXOUKVPN-KYJZABPNSA-N 0 3 283.331 2.906 20 30 CFEDHN CC1/C(=C/c2cccc3c2CCC3)C(=O)c2ncnn21 ZINC000905083041 621691749 /nfs/dbraw/zinc/69/17/49/621691749.db2.gz AUYDVZTZSLKRBL-WULZRQGASA-N 0 3 265.316 2.608 20 30 CFEDHN CCOc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1OC ZINC000905081502 621691797 /nfs/dbraw/zinc/69/17/97/621691797.db2.gz RGZQVNGNUKCDBB-VPMLRQHESA-N 0 3 299.330 2.526 20 30 CFEDHN CC1/C(=C/c2ccc(C3(C#N)CC3)cc2)C(=O)c2ncnn21 ZINC000905083444 621692035 /nfs/dbraw/zinc/69/20/35/621692035.db2.gz DHLQJOUQWUVHSL-ZEVOCZHWSA-N 0 3 290.326 2.674 20 30 CFEDHN Cc1cc(C#N)cc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905083887 621692044 /nfs/dbraw/zinc/69/20/44/621692044.db2.gz HEODZDVUYODMRQ-JBARUQGQSA-N 0 3 278.315 2.608 20 30 CFEDHN CC(C)(C)NCc1cn(CC2(C#N)CCCCC2)nn1 ZINC000905058341 621694999 /nfs/dbraw/zinc/69/49/99/621694999.db2.gz HXDZDGFVTRNHGW-UHFFFAOYSA-N 0 3 275.400 2.640 20 30 CFEDHN CC[C@](O)(CN[C@@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000905236051 621731438 /nfs/dbraw/zinc/73/14/38/621731438.db2.gz DHOLNPWLQSLQDQ-KGLIPLIRSA-N 0 3 298.308 2.839 20 30 CFEDHN Cc1cccc(-c2cnc([C@@H]3CCCN3)nc2)c1C#N ZINC000906158214 621935806 /nfs/dbraw/zinc/93/58/06/621935806.db2.gz JVLKNOKGRUJVAX-HNNXBMFYSA-N 0 3 264.332 2.748 20 30 CFEDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc(C)c1C#N ZINC000906941857 622065519 /nfs/dbraw/zinc/06/55/19/622065519.db2.gz PSLUBAOPPORLMO-DZGCQCFKSA-N 0 3 297.402 2.530 20 30 CFEDHN Cc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc(C)c1C#N ZINC000907280943 622108212 /nfs/dbraw/zinc/10/82/12/622108212.db2.gz DODGSSIXVFUTII-CQSZACIVSA-N 0 3 297.402 2.555 20 30 CFEDHN CN1CCN(C(=O)c2ccc(C#N)cc2)CC12CCCCC2 ZINC000908576201 622248121 /nfs/dbraw/zinc/24/81/21/622248121.db2.gz BOJAIYNYNVWCQJ-UHFFFAOYSA-N 0 3 297.402 2.649 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000911645406 622530762 /nfs/dbraw/zinc/53/07/62/622530762.db2.gz ASKQBMNQDNEBOC-AWEZNQCLSA-N 0 3 284.363 2.699 20 30 CFEDHN C=C[C@H](C)ONC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000911903101 622578470 /nfs/dbraw/zinc/57/84/70/622578470.db2.gz NGESXMRKOGWMSZ-NSHDSACASA-N 0 3 273.336 2.527 20 30 CFEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccn1 ZINC000819952364 622582788 /nfs/dbraw/zinc/58/27/88/622582788.db2.gz QTFKGHBDRACMFO-VXGBXAGGSA-N 0 3 294.314 2.852 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCCc1c[nH]c2ccccc12 ZINC000911936480 622592090 /nfs/dbraw/zinc/59/20/90/622592090.db2.gz BRRJPOWYQWMTSC-HNNXBMFYSA-N 0 3 285.391 2.510 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000911957406 622596616 /nfs/dbraw/zinc/59/66/16/622596616.db2.gz MKRYUJGHSULKMY-XDQVBPFNSA-N 0 3 252.402 2.611 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1nc2c(s1)CCCC2 ZINC000911967377 622600475 /nfs/dbraw/zinc/60/04/75/622600475.db2.gz FODQGZBAWBVIMB-JTQLQIEISA-N 0 3 279.409 2.644 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCCC34CC4)CCC[C@H]12 ZINC000991362618 622603199 /nfs/dbraw/zinc/60/31/99/622603199.db2.gz RUJFMNYHLITPDT-RVKKMQEKSA-N 0 3 288.435 2.866 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)Cc1ccc(OCC)cc1 ZINC000911998004 622605299 /nfs/dbraw/zinc/60/52/99/622605299.db2.gz JVPIFZLHXNQBDT-INIZCTEOSA-N 0 3 290.407 2.727 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1OC ZINC000912015796 622611469 /nfs/dbraw/zinc/61/14/69/622611469.db2.gz CCNAEZMSDSMHFT-GXTWGEPZSA-N 0 3 276.380 2.556 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCC1(c2ccccc2)CC1 ZINC000912173018 622656660 /nfs/dbraw/zinc/65/66/60/622656660.db2.gz FZAUBAZJTRCWJY-HNNXBMFYSA-N 0 3 272.392 2.518 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](CC)c1ccccc1 ZINC000912238771 622664284 /nfs/dbraw/zinc/66/42/84/622664284.db2.gz LMTBJUQYRLRENE-HUUCEWRRSA-N 0 3 260.381 2.938 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCc2cc(F)c(F)cc21 ZINC000912358771 622693636 /nfs/dbraw/zinc/69/36/36/622693636.db2.gz HYPVBPPVMHDIFJ-CYBMUJFWSA-N 0 3 280.318 2.538 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C1CC1)C1CCCC1 ZINC000912334492 622694552 /nfs/dbraw/zinc/69/45/52/622694552.db2.gz ZKDDRBKHCYRGHO-CQSZACIVSA-N 0 3 250.386 2.604 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NCc1ccc(C)cc1C ZINC000912336955 622695347 /nfs/dbraw/zinc/69/53/47/622695347.db2.gz YNHFZYJBASNNBG-HNNXBMFYSA-N 0 3 260.381 2.603 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC)CCc1cccs1 ZINC000912497645 622729511 /nfs/dbraw/zinc/72/95/11/622729511.db2.gz FSVRKVWGANYZLR-AWEZNQCLSA-N 0 3 280.437 2.823 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC000913097340 622835859 /nfs/dbraw/zinc/83/58/59/622835859.db2.gz LPESOPHRUCPSDR-FUHWJXTLSA-N 0 3 298.430 2.673 20 30 CFEDHN N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226585153 623084114 /nfs/dbraw/zinc/08/41/14/623084114.db2.gz OZBQAHHRQKXBID-UHFFFAOYSA-N 0 3 256.280 2.693 20 30 CFEDHN CCCCCCCCN1CCN(Cc2nccn2C)CC1 ZINC000158010558 623087634 /nfs/dbraw/zinc/08/76/34/623087634.db2.gz GEBDZHLNOCGEPQ-UHFFFAOYSA-N 0 3 292.471 2.898 20 30 CFEDHN CN1CCN(c2ccc(NCc3ccc(C#N)o3)cc2)CC1 ZINC000158115916 623096256 /nfs/dbraw/zinc/09/62/56/623096256.db2.gz CBZZBZGWUAUMFN-UHFFFAOYSA-N 0 3 296.374 2.515 20 30 CFEDHN C[C@H]1CCCN(CCCC#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000081518342 625640106 /nfs/dbraw/zinc/64/01/06/625640106.db2.gz MVLXZMAZIBULCC-UONOGXRCSA-N 0 3 295.427 2.915 20 30 CFEDHN N#CC(C(=O)CCC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000173903733 623374755 /nfs/dbraw/zinc/37/47/55/623374755.db2.gz UBDFLZPOSFAZFH-CYBMUJFWSA-N 0 3 297.358 2.946 20 30 CFEDHN C#CCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000174612822 623433200 /nfs/dbraw/zinc/43/32/00/623433200.db2.gz WNJBTTMMNLEFHJ-UHFFFAOYSA-N 0 3 252.701 2.751 20 30 CFEDHN CCOC(=O)CN(CC1CCC(C#N)CC1)C(C)C ZINC000929463383 623441671 /nfs/dbraw/zinc/44/16/71/623441671.db2.gz DCCPRCFFHZEIGY-UHFFFAOYSA-N 0 3 266.385 2.590 20 30 CFEDHN CCCCCCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000111560850 623456003 /nfs/dbraw/zinc/45/60/03/623456003.db2.gz SGNBGSWHCOXBAT-UHFFFAOYSA-N 0 3 287.407 2.687 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)c3ccco3)CCC[C@H]12 ZINC000992166807 623476364 /nfs/dbraw/zinc/47/63/64/623476364.db2.gz IQBRLFQQKMSLQU-UKPHBRMFSA-N 0 3 288.391 2.682 20 30 CFEDHN C=C1CCN(C[C@@H]2Cc3cc(OC)ccc3O2)CC1 ZINC000929604493 623491094 /nfs/dbraw/zinc/49/10/94/623491094.db2.gz RPMUUMMAHLYLJY-HNNXBMFYSA-N 0 3 259.349 2.651 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001015154620 623524836 /nfs/dbraw/zinc/52/48/36/623524836.db2.gz CRHURIZTZMWSQZ-AWEZNQCLSA-N 0 3 295.386 2.615 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992403196 623532431 /nfs/dbraw/zinc/53/24/31/623532431.db2.gz JUKPPVZGFPTTQV-YXJHDRRASA-N 0 3 288.435 2.559 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(c2ccnc(F)c2)CC1 ZINC000824805883 623569894 /nfs/dbraw/zinc/56/98/94/623569894.db2.gz QUTATAVJMPBHMI-UHFFFAOYSA-N 0 3 290.386 2.673 20 30 CFEDHN CC[C@@H]1CCC[C@H](CN2CCC(C#N)(C(=O)OC)CC2)C1 ZINC000824871148 623582164 /nfs/dbraw/zinc/58/21/64/623582164.db2.gz CCKMTSFBTIWBES-CABCVRRESA-N 0 3 292.423 2.982 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC1(CC)COC1 ZINC000825078916 623623624 /nfs/dbraw/zinc/62/36/24/623623624.db2.gz FHOBSIDMIBVIIE-UHFFFAOYSA-N 0 3 293.794 2.868 20 30 CFEDHN C#Cc1cccc(CNCc2c(C)cc(OC)nc2C)c1 ZINC000825227183 623654128 /nfs/dbraw/zinc/65/41/28/623654128.db2.gz RCWMQBOCLOSWQI-UHFFFAOYSA-N 0 3 280.371 2.978 20 30 CFEDHN C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC000993065509 623880895 /nfs/dbraw/zinc/88/08/95/623880895.db2.gz HRMGUXYZFYBGJL-DZGCQCFKSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC000993065509 623880904 /nfs/dbraw/zinc/88/09/04/623880904.db2.gz HRMGUXYZFYBGJL-DZGCQCFKSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC000993065529 623881648 /nfs/dbraw/zinc/88/16/48/623881648.db2.gz HRMGUXYZFYBGJL-ZFWWWQNUSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC000993065529 623881657 /nfs/dbraw/zinc/88/16/57/623881657.db2.gz HRMGUXYZFYBGJL-ZFWWWQNUSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)CC2CCC2)[C@H]1C ZINC000993125208 623931289 /nfs/dbraw/zinc/93/12/89/623931289.db2.gz BEQLGJBEKITLHG-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN C#CCCOc1ccc(CN(C)CC2=CCCOC2)cc1 ZINC000827184956 623960848 /nfs/dbraw/zinc/96/08/48/623960848.db2.gz JYWJHWKPISDKOC-UHFFFAOYSA-N 0 3 285.387 2.867 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(Cl)nc2)nc(C)n1 ZINC000915103031 623982964 /nfs/dbraw/zinc/98/29/64/623982964.db2.gz BPNBRLJBQBYLKG-LLVKDONJSA-N 0 3 286.722 2.632 20 30 CFEDHN C#Cc1cnc(NC[C@@H](c2cccs2)N2CCCC2)nc1 ZINC000827297765 623983510 /nfs/dbraw/zinc/98/35/10/623983510.db2.gz DWTAUCQCGGAHLU-AWEZNQCLSA-N 0 3 298.415 2.768 20 30 CFEDHN N#CC(C(=O)CCC(=O)c1cccs1)c1ccccn1 ZINC000072590841 625691077 /nfs/dbraw/zinc/69/10/77/625691077.db2.gz DIXTWBSGOPNOJU-LLVKDONJSA-N 0 3 284.340 2.982 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C2=CCCC2)[C@H]1C ZINC000993224321 624053767 /nfs/dbraw/zinc/05/37/67/624053767.db2.gz DPJPJOIYFGZYDL-UKRRQHHQSA-N 0 3 262.397 2.642 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993321476 624094800 /nfs/dbraw/zinc/09/48/00/624094800.db2.gz CRHUIVMZEONDSW-WFASDCNBSA-N 0 3 290.432 2.663 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc(OCC=C)c1 ZINC000827817918 624100929 /nfs/dbraw/zinc/10/09/29/624100929.db2.gz LCOUWRQJJISGIH-UHFFFAOYSA-N 0 3 273.376 2.723 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(OCC(F)F)cc1 ZINC000827823227 624102548 /nfs/dbraw/zinc/10/25/48/624102548.db2.gz LOKRXXUADUFUGU-UHFFFAOYSA-N 0 3 297.345 2.802 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC000993524439 624149550 /nfs/dbraw/zinc/14/95/50/624149550.db2.gz UGBRFNRTQFGZPJ-DGCLKSJQSA-N 0 3 286.366 2.577 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993630426 624156799 /nfs/dbraw/zinc/15/67/99/624156799.db2.gz HFRMEVATJQAGLF-ZBFHGGJFSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993704164 624163454 /nfs/dbraw/zinc/16/34/54/624163454.db2.gz PZNKTSHDOOZQRT-MAUKXSAKSA-N 0 3 298.430 2.855 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993758567 624164434 /nfs/dbraw/zinc/16/44/34/624164434.db2.gz APECNPXEQSYGFC-NWDGAFQWSA-N 0 3 295.814 2.827 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000993983873 624177187 /nfs/dbraw/zinc/17/71/87/624177187.db2.gz GVBAFWRMHUJKCW-HIFRSBDPSA-N 0 3 290.432 2.663 20 30 CFEDHN CCCCNN=Cc1ccc(N(CC)CCO)cc1C ZINC000915966455 624194969 /nfs/dbraw/zinc/19/49/69/624194969.db2.gz SGYATBAJUVVYPU-UHFFFAOYSA-N 0 3 277.412 2.537 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994257295 624245745 /nfs/dbraw/zinc/24/57/45/624245745.db2.gz ZFVANKLLSIGDFB-QBPKDAKJSA-N 0 3 290.451 2.805 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cccnc1 ZINC000916908218 624292758 /nfs/dbraw/zinc/29/27/58/624292758.db2.gz ZZJKBZVQOYHMMI-LLVKDONJSA-N 0 3 299.717 2.696 20 30 CFEDHN C=CCN1CCC(NC(=O)N2[C@@H](C)CCC2(C)C)CC1 ZINC000917136789 624316833 /nfs/dbraw/zinc/31/68/33/624316833.db2.gz IGHVGSOLDZAVMX-ZDUSSCGKSA-N 0 3 279.428 2.609 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000829769606 624528908 /nfs/dbraw/zinc/52/89/08/624528908.db2.gz XKQYCTGPOFKAIY-SJORKVTESA-N 0 3 298.430 2.941 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N2CCCC[C@H]2CC)C1 ZINC000829768977 624529171 /nfs/dbraw/zinc/52/91/71/624529171.db2.gz MGTPOHUAZZMAMW-HZPDHXFCSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000829773107 624529393 /nfs/dbraw/zinc/52/93/93/624529393.db2.gz ARRDVTYNYGGCHJ-DLBZAZTESA-N 0 3 298.430 2.735 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000829773319 624529577 /nfs/dbraw/zinc/52/95/77/624529577.db2.gz CWPSRUHHKFEDNL-CVEARBPZSA-N 0 3 296.414 2.700 20 30 CFEDHN C#CC[C@H]1CCCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000829778607 624532629 /nfs/dbraw/zinc/53/26/29/624532629.db2.gz FFTVSOUVPLTYEJ-STQMWFEESA-N 0 3 275.348 2.863 20 30 CFEDHN C#CC[C@H]1CCCN(CC[S@](=O)c2ccccc2)C1 ZINC000829778496 624533150 /nfs/dbraw/zinc/53/31/50/624533150.db2.gz CUYUTJMQXATPJF-KXBFYZLASA-N 0 3 275.417 2.530 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cccc(OCC)n2)C1 ZINC000829810677 624551143 /nfs/dbraw/zinc/55/11/43/624551143.db2.gz TVKCKPFIBAEOBP-CQSZACIVSA-N 0 3 258.365 2.716 20 30 CFEDHN C=CCCCC[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000829952818 624589145 /nfs/dbraw/zinc/58/91/45/624589145.db2.gz QRAVMAGDIPQBOG-LBPRGKRZSA-N 0 3 292.345 2.733 20 30 CFEDHN C=CCCCC[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000829952818 624589150 /nfs/dbraw/zinc/58/91/50/624589150.db2.gz QRAVMAGDIPQBOG-LBPRGKRZSA-N 0 3 292.345 2.733 20 30 CFEDHN N#Cc1ccccc1N1CCN(CCc2cccs2)CC1 ZINC000919964834 624651139 /nfs/dbraw/zinc/65/11/39/624651139.db2.gz KXPJESJUWLAMSG-UHFFFAOYSA-N 0 3 297.427 2.984 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000830305086 624704408 /nfs/dbraw/zinc/70/44/08/624704408.db2.gz FMHSXFLKYXGGQA-SOUVJXGZSA-N 0 3 276.424 2.510 20 30 CFEDHN C#CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000830315994 624706425 /nfs/dbraw/zinc/70/64/25/624706425.db2.gz AHDWIEJVCIZPAG-MRXNPFEDSA-N 0 3 298.430 2.687 20 30 CFEDHN C#CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000830316586 624706460 /nfs/dbraw/zinc/70/64/60/624706460.db2.gz YWXKTZCWLIYILL-CVEARBPZSA-N 0 3 298.430 2.906 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccnc2)cc1 ZINC000237703227 624971710 /nfs/dbraw/zinc/97/17/10/624971710.db2.gz JXUPYXQYQRDACF-ZDUSSCGKSA-N 0 3 267.332 2.662 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccc(C)cc1 ZINC000237783779 624977394 /nfs/dbraw/zinc/97/73/94/624977394.db2.gz VCAYCCOCVZBQNB-SFHVURJKSA-N 0 3 295.382 2.830 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(=O)oc2cc(CC)ccc12 ZINC000831679362 625094874 /nfs/dbraw/zinc/09/48/74/625094874.db2.gz WZGMOHGAKHRQSZ-CVEARBPZSA-N 0 3 299.370 2.789 20 30 CFEDHN C=CCCC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC000831699810 625099667 /nfs/dbraw/zinc/09/96/67/625099667.db2.gz WRAQVTRRYIHNRJ-ZDUSSCGKSA-N 0 3 264.369 2.510 20 30 CFEDHN CC1(C)COC[C@H]1NCc1cc(Cl)ccc1OCC#N ZINC000832165183 625235564 /nfs/dbraw/zinc/23/55/64/625235564.db2.gz NPRQLYWPEASMTB-CQSZACIVSA-N 0 3 294.782 2.757 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C=CCC1 ZINC000069910948 625244035 /nfs/dbraw/zinc/24/40/35/625244035.db2.gz QUHAHAMNXDAUJK-ZIAGYGMSSA-N 0 3 276.380 2.748 20 30 CFEDHN C#Cc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000834903380 625916709 /nfs/dbraw/zinc/91/67/09/625916709.db2.gz OXKFEUXOEYJULJ-MRXNPFEDSA-N 0 3 265.360 2.569 20 30 CFEDHN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccsc1 ZINC000834966774 625936297 /nfs/dbraw/zinc/93/62/97/625936297.db2.gz SLHZBRHYIRNDKJ-STQMWFEESA-N 0 3 276.409 2.722 20 30 CFEDHN CC(=NN[C@H]1CCOC1(C)C)c1ccc(N(C)C)cc1 ZINC000835013334 625959608 /nfs/dbraw/zinc/95/96/08/625959608.db2.gz APFMUACMQOPKIT-HNNXBMFYSA-N 0 3 275.396 2.634 20 30 CFEDHN N#Cc1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cs1 ZINC000921612847 625993725 /nfs/dbraw/zinc/99/37/25/625993725.db2.gz NNWQJCZQAMAPPJ-CYBMUJFWSA-N 0 3 285.372 2.888 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccccc2)CC1 ZINC000997461264 625996107 /nfs/dbraw/zinc/99/61/07/625996107.db2.gz HTTXDYMEJZSZKW-HNNXBMFYSA-N 0 3 284.403 2.540 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)c2cccs2)CC1 ZINC000997469486 625996642 /nfs/dbraw/zinc/99/66/42/625996642.db2.gz DGJHHFWQTRZIRV-ZDUSSCGKSA-N 0 3 290.432 2.602 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001016003708 626008581 /nfs/dbraw/zinc/00/85/81/626008581.db2.gz NHCMFVJCXCLOPY-AWEZNQCLSA-N 0 3 290.407 2.785 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000997721669 626014539 /nfs/dbraw/zinc/01/45/39/626014539.db2.gz WMKXBXYXMIBXIK-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN CC#CCN1CCC[C@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998144964 626033824 /nfs/dbraw/zinc/03/38/24/626033824.db2.gz VSACXDZBVXZFNG-JKSUJKDBSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCN[C@@H]1CN(C(=O)CC(C)C)CC[C@H]1C(F)(F)F ZINC000998234975 626037172 /nfs/dbraw/zinc/03/71/72/626037172.db2.gz KFVBMFZWCYLAPV-VXGBXAGGSA-N 0 3 292.345 2.588 20 30 CFEDHN COCC[C@H](C)NCc1cc(C#N)ccc1Br ZINC000921650086 626046333 /nfs/dbraw/zinc/04/63/33/626046333.db2.gz WPTGVXVQPRRPNQ-JTQLQIEISA-N 0 3 297.196 2.835 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)CC2CCC2)C1 ZINC000998581536 626056785 /nfs/dbraw/zinc/05/67/85/626056785.db2.gz RXGNEJGEPDESOX-UHFFFAOYSA-N 0 3 270.804 2.508 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2coc(C)c2)C1 ZINC000998689695 626059808 /nfs/dbraw/zinc/05/98/08/626059808.db2.gz YRNGQBRJKFUSLQ-UHFFFAOYSA-N 0 3 282.771 2.533 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@H](C)C2CCC2)C1 ZINC000998976027 626064967 /nfs/dbraw/zinc/06/49/67/626064967.db2.gz WBEQCRGRCBGSET-LMWSTFAQSA-N 0 3 284.831 2.754 20 30 CFEDHN C[C@H]1C[C@H]1NCc1cc(C#N)ccc1Br ZINC000921685059 626076467 /nfs/dbraw/zinc/07/64/67/626076467.db2.gz FIQOVXZKKSJWIE-QPUJVOFHSA-N 0 3 265.154 2.819 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001000780754 626131625 /nfs/dbraw/zinc/13/16/25/626131625.db2.gz KFMSPYIVLXMFRF-UHFFFAOYSA-N 0 3 299.418 2.753 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775323 626131848 /nfs/dbraw/zinc/13/18/48/626131848.db2.gz BQYWWGANUOPZPW-UONOGXRCSA-N 0 3 298.377 2.602 20 30 CFEDHN C[C@H](NCc1csc(C#N)c1)[C@H](O)c1cccc(F)c1 ZINC000921815430 626140711 /nfs/dbraw/zinc/14/07/11/626140711.db2.gz HWKOXUMEHYMWBM-BONVTDFDSA-N 0 3 290.363 2.971 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccoc2C2CC2)CC1 ZINC001001080295 626144425 /nfs/dbraw/zinc/14/44/25/626144425.db2.gz OUIRXHSPXGQTRW-UHFFFAOYSA-N 0 3 286.375 2.705 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2csc(C)c2)CC1 ZINC001001262965 626151866 /nfs/dbraw/zinc/15/18/66/626151866.db2.gz KHSWUVNRURCJNO-UHFFFAOYSA-N 0 3 276.405 2.604 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccsc2Cl)CC1 ZINC001001233432 626152031 /nfs/dbraw/zinc/15/20/31/626152031.db2.gz WDVNJFLEEMPVMR-UHFFFAOYSA-N 0 3 296.823 2.949 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CC23CCCC3)CC1 ZINC001001336264 626154786 /nfs/dbraw/zinc/15/47/86/626154786.db2.gz YUOZVEIZZLGXSN-OAHLLOKOSA-N 0 3 274.408 2.501 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001001324865 626155200 /nfs/dbraw/zinc/15/52/00/626155200.db2.gz IOHOAASGBVNRDA-AEFFLSMTSA-N 0 3 290.451 2.993 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2ccsc2C)CC1 ZINC001001380476 626157009 /nfs/dbraw/zinc/15/70/09/626157009.db2.gz XXEFDJCWIXTTFP-UHFFFAOYSA-N 0 3 290.432 2.522 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001001428840 626157814 /nfs/dbraw/zinc/15/78/14/626157814.db2.gz RFOVLAXKFWIOLH-UHFFFAOYSA-N 0 3 296.414 2.723 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001001422676 626157925 /nfs/dbraw/zinc/15/79/25/626157925.db2.gz GADPXKYHBBINOD-UHFFFAOYSA-N 0 3 284.403 2.851 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001001771479 626163396 /nfs/dbraw/zinc/16/33/96/626163396.db2.gz AZQAGTIWRRHRFW-NVXWUHKLSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001001799378 626163852 /nfs/dbraw/zinc/16/38/52/626163852.db2.gz DPVNXWXFWCGTJR-MRXNPFEDSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2c(C)cccc2C)CC1 ZINC001001871416 626164750 /nfs/dbraw/zinc/16/47/50/626164750.db2.gz VFIRHIYBHZTZRP-UHFFFAOYSA-N 0 3 298.430 2.769 20 30 CFEDHN C=CCSCCN[C@H](C)c1cccc2c1OCO2 ZINC000925350470 626204448 /nfs/dbraw/zinc/20/44/48/626204448.db2.gz GCBQANVGUPIIMT-LLVKDONJSA-N 0 3 265.378 2.985 20 30 CFEDHN CCC(C)(C)OCCNCc1csc(C#N)c1 ZINC000922171504 626230112 /nfs/dbraw/zinc/23/01/12/626230112.db2.gz HOGYIXRJHPSSRS-UHFFFAOYSA-N 0 3 252.383 2.915 20 30 CFEDHN C[C@H]1CCC[C@H](CNCc2csc(C#N)c2)O1 ZINC000922249341 626251026 /nfs/dbraw/zinc/25/10/26/626251026.db2.gz JFXKEMQQLCUFCU-CMPLNLGQSA-N 0 3 250.367 2.667 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cc(C)cnc1Cl ZINC000922298949 626263455 /nfs/dbraw/zinc/26/34/55/626263455.db2.gz MIEMHJKLSUXDFF-CYBMUJFWSA-N 0 3 266.772 2.561 20 30 CFEDHN Cc1cc(CNC(C)(C)Cc2ccc(C#N)cc2)on1 ZINC000922604524 626323289 /nfs/dbraw/zinc/32/32/89/626323289.db2.gz UJWXHPYOSWOHDO-UHFFFAOYSA-N 0 3 269.348 2.966 20 30 CFEDHN C=C1CCC(CNCc2cc(COC)on2)CC1 ZINC000922710838 626348422 /nfs/dbraw/zinc/34/84/22/626348422.db2.gz CMBHTNAPFCKCQL-UHFFFAOYSA-N 0 3 250.342 2.657 20 30 CFEDHN C=C1CCC(CNCc2cn(Cc3cccnc3)nn2)CC1 ZINC000922711917 626350713 /nfs/dbraw/zinc/35/07/13/626350713.db2.gz RFWPARIYFGSIGU-UHFFFAOYSA-N 0 3 297.406 2.557 20 30 CFEDHN N#CC(C(=O)CCc1cccs1)c1ccccn1 ZINC000073971503 626401471 /nfs/dbraw/zinc/40/14/71/626401471.db2.gz DWPKFCQVQZTFIS-LBPRGKRZSA-N 0 3 256.330 2.952 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2conc2C(C)C)CC1 ZINC001005495999 626415830 /nfs/dbraw/zinc/41/58/30/626415830.db2.gz HQRLSQGKVTZKNW-UHFFFAOYSA-N 0 3 291.395 2.520 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ncc(Cl)s2)CC1 ZINC001005712428 626420055 /nfs/dbraw/zinc/42/00/55/626420055.db2.gz JXEOMXJMIZFBFY-UHFFFAOYSA-N 0 3 299.827 2.519 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001005847709 626435579 /nfs/dbraw/zinc/43/55/79/626435579.db2.gz JOTJBRNWNDSRQH-LSDHHAIUSA-N 0 3 278.440 2.922 20 30 CFEDHN COc1cc(CNC2([C@@H]3CCCCO3)CC2)ccc1C#N ZINC000923028123 626443393 /nfs/dbraw/zinc/44/33/93/626443393.db2.gz MQGZFWUQTZUTLO-INIZCTEOSA-N 0 3 286.375 2.758 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccoc2C2CC2)CC1 ZINC001005883758 626445824 /nfs/dbraw/zinc/44/58/24/626445824.db2.gz FZUFUPXSIOFOAQ-UHFFFAOYSA-N 0 3 288.391 2.879 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)Cc2cccc(C)c2)CC1 ZINC001005918453 626451222 /nfs/dbraw/zinc/45/12/22/626451222.db2.gz RBXCSLZSXVNMRU-UHFFFAOYSA-N 0 3 286.419 2.646 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001005950305 626453652 /nfs/dbraw/zinc/45/36/52/626453652.db2.gz SLHYUIKORMOMGT-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000923173328 626454202 /nfs/dbraw/zinc/45/42/02/626454202.db2.gz FCBWOGHDHFJZKE-XGUBFFRZSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)cc2F)CC1 ZINC001006050237 626466084 /nfs/dbraw/zinc/46/60/84/626466084.db2.gz XINFYXGBNFRSOT-UHFFFAOYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCCN1CCOC[C@@H]1C[C@H]1CNc2ccccc21 ZINC000923557214 626479684 /nfs/dbraw/zinc/47/96/84/626479684.db2.gz SOYWAMHXDPDMAB-GJZGRUSLSA-N 0 3 272.392 2.863 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001006231105 626481002 /nfs/dbraw/zinc/48/10/02/626481002.db2.gz YRGYDERGGJIMAC-DLBZAZTESA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(Br)CN[C@@](C)(CC(=O)OCC)C(C)C ZINC000186668291 626483039 /nfs/dbraw/zinc/48/30/39/626483039.db2.gz SJSQWWCUWQXOAR-LBPRGKRZSA-N 0 3 292.217 2.853 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000838622736 626502078 /nfs/dbraw/zinc/50/20/78/626502078.db2.gz KIPCNORLPHBYSD-OAHLLOKOSA-N 0 3 293.455 2.552 20 30 CFEDHN CN(C)Cc1cccc(C(=O)O[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000839065304 626522699 /nfs/dbraw/zinc/52/26/99/626522699.db2.gz ZVXDSXOBMFVSFV-CJNGLKHVSA-N 0 3 286.375 2.987 20 30 CFEDHN C#CCC1(C(=O)N[C@H](C)CN2CCCCC2)CCCCC1 ZINC000788155241 626538563 /nfs/dbraw/zinc/53/85/63/626538563.db2.gz LSXFINYBSXNZJL-MRXNPFEDSA-N 0 3 290.451 2.951 20 30 CFEDHN CC(C)(C)[C@@H](NC[C@H](O)CC#N)c1ccc(F)cc1 ZINC000809576045 626540905 /nfs/dbraw/zinc/54/09/05/626540905.db2.gz PKCRFEHBWJRMEB-KGLIPLIRSA-N 0 3 264.344 2.777 20 30 CFEDHN C#CCCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000839643280 626550815 /nfs/dbraw/zinc/55/08/15/626550815.db2.gz JKBHZLZRHCVSGZ-KRWDZBQOSA-N 0 3 269.344 2.510 20 30 CFEDHN C#CCSCCNCc1nc2ccc(F)cc2s1 ZINC000758361815 626589651 /nfs/dbraw/zinc/58/96/51/626589651.db2.gz DEFJHRFBMFOWIT-UHFFFAOYSA-N 0 3 280.393 2.891 20 30 CFEDHN C#CCCCCNCc1nccn1Cc1ccccc1 ZINC000758498059 626596095 /nfs/dbraw/zinc/59/60/95/626596095.db2.gz XNFOJPMMAWKINC-UHFFFAOYSA-N 0 3 267.376 2.825 20 30 CFEDHN N#CC(C(=O)[C@@H]1CC12CCC2)c1nc2ccccc2[nH]1 ZINC000759814665 626693006 /nfs/dbraw/zinc/69/30/06/626693006.db2.gz NLPKHAGCPRSJII-MNOVXSKESA-N 0 3 265.316 2.929 20 30 CFEDHN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C ZINC000761077808 626797418 /nfs/dbraw/zinc/79/74/18/626797418.db2.gz NMBFYZJAUGWYEK-ZDUSSCGKSA-N 0 3 296.336 2.693 20 30 CFEDHN C=CCCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC000805219318 626805398 /nfs/dbraw/zinc/80/53/98/626805398.db2.gz FUACNGLYXGNZFD-AWEZNQCLSA-N 0 3 254.418 2.825 20 30 CFEDHN C#CCOCCN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000761108420 626806135 /nfs/dbraw/zinc/80/61/35/626806135.db2.gz MJQNYVVROAVCBZ-NSHDSACASA-N 0 3 253.292 2.607 20 30 CFEDHN COc1cc(F)ccc1[N-][NH+]=Cc1cnccc1N(C)C ZINC000761885293 626870375 /nfs/dbraw/zinc/87/03/75/626870375.db2.gz QZDACFMGQBRMCB-UHFFFAOYSA-N 0 3 288.326 2.741 20 30 CFEDHN CC(C)N(Cc1ccccn1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763237698 626972162 /nfs/dbraw/zinc/97/21/62/626972162.db2.gz ZJGNZSZGPQKVJM-GOSISDBHSA-N 0 3 295.386 2.897 20 30 CFEDHN C=C[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766574275 627209938 /nfs/dbraw/zinc/20/99/38/627209938.db2.gz XBHFQRAGHHWJRS-ZJUUUORDSA-N 0 3 289.347 2.908 20 30 CFEDHN C#CCOc1ccccc1CN(CCO)CCCCC ZINC000768240851 627327832 /nfs/dbraw/zinc/32/78/32/627327832.db2.gz IFJYXYKZUDVZJR-UHFFFAOYSA-N 0 3 275.392 2.683 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000769314319 627423167 /nfs/dbraw/zinc/42/31/67/627423167.db2.gz XIRSWFJDDFOZRX-QGZVFWFLSA-N 0 3 295.386 2.732 20 30 CFEDHN C=CCCCN(C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769729411 627470296 /nfs/dbraw/zinc/47/02/96/627470296.db2.gz PBDIWRMLEITVLV-UHFFFAOYSA-N 0 3 254.374 2.504 20 30 CFEDHN C#C[C@@H](C)N(C)CCOc1ccc(F)cc1Cl ZINC000769978077 627493794 /nfs/dbraw/zinc/49/37/94/627493794.db2.gz OUTUNHMHUVFEGG-SNVBAGLBSA-N 0 3 255.720 2.811 20 30 CFEDHN CCC#C[C@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770697820 627542843 /nfs/dbraw/zinc/54/28/43/627542843.db2.gz CSBIGAAROWERJN-HNNXBMFYSA-N 0 3 289.394 2.997 20 30 CFEDHN C=CCN(C[C@H](O)c1ccc(F)c(F)c1)C1CC1 ZINC000772381906 627706975 /nfs/dbraw/zinc/70/69/75/627706975.db2.gz OGYBIHUDJSBWNF-AWEZNQCLSA-N 0 3 253.292 2.649 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@@H](C)SC ZINC000773764400 627856612 /nfs/dbraw/zinc/85/66/12/627856612.db2.gz QCSGYFYSZCYPDB-VXGBXAGGSA-N 0 3 284.425 2.533 20 30 CFEDHN C#CCOCCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000851967660 634609874 /nfs/dbraw/zinc/60/98/74/634609874.db2.gz MAEFBEMPYNIWGF-UHFFFAOYSA-N 0 3 298.386 2.965 20 30 CFEDHN Cc1ncc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000774200570 627902383 /nfs/dbraw/zinc/90/23/83/627902383.db2.gz CTNNWXAXVLDGPA-WWGRRREGSA-N 0 3 270.380 2.834 20 30 CFEDHN CC[C@](C)(CC(=O)OC)NCc1cccc(C#N)c1F ZINC000774688557 627948703 /nfs/dbraw/zinc/94/87/03/627948703.db2.gz YCQGXKJAOGZHNJ-OAHLLOKOSA-N 0 3 278.327 2.519 20 30 CFEDHN CC(C)(C)C[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000775133195 627995551 /nfs/dbraw/zinc/99/55/51/627995551.db2.gz XALXKOWDFPFXHG-OAHLLOKOSA-N 0 3 287.407 2.783 20 30 CFEDHN C[C@H](NC/C=C/Cl)c1ccc(OCC#N)cc1 ZINC000775336976 628010635 /nfs/dbraw/zinc/01/06/35/628010635.db2.gz VPQJDLXOVGLEAV-FOKSMMDQSA-N 0 3 250.729 2.992 20 30 CFEDHN N#Cc1ccc(N2CCN(CCCC3CCC3)CC2)cn1 ZINC000852000215 634622815 /nfs/dbraw/zinc/62/28/15/634622815.db2.gz QCMOURFGXKKEIW-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN C=C(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775558399 628037157 /nfs/dbraw/zinc/03/71/57/628037157.db2.gz LUKIGARMWIOMFN-UHFFFAOYSA-N 0 3 275.352 2.683 20 30 CFEDHN C#C[C@@H](NC1CC(c2cccc(F)c2)C1)[C@@H]1CCCO1 ZINC000775571134 628038902 /nfs/dbraw/zinc/03/89/02/628038902.db2.gz ASKCREHOSKOHKI-BNICSPFPSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](N[C@H]1Cc2ccc(Cl)cc2C1)[C@H]1CCCO1 ZINC000775575476 628042198 /nfs/dbraw/zinc/04/21/98/628042198.db2.gz XMHPDCBJPHRCSJ-HRCADAONSA-N 0 3 275.779 2.578 20 30 CFEDHN C#C[C@@H](NCc1cc(C)nc2ccccc12)[C@H]1CCCO1 ZINC000775783807 628067621 /nfs/dbraw/zinc/06/76/21/628067621.db2.gz DKFNDVNWNABSPK-SJLPKXTDSA-N 0 3 280.371 2.814 20 30 CFEDHN C#CCOCC[N@@H+](CCCC)Cc1ccccc1[O-] ZINC000852017697 634627464 /nfs/dbraw/zinc/62/74/64/634627464.db2.gz DCRIXQMJXKHWNT-UHFFFAOYSA-N 0 3 261.365 2.644 20 30 CFEDHN C#CCOCC[N@H+](CCCC)Cc1ccccc1[O-] ZINC000852017697 634627467 /nfs/dbraw/zinc/62/74/67/634627467.db2.gz DCRIXQMJXKHWNT-UHFFFAOYSA-N 0 3 261.365 2.644 20 30 CFEDHN C#C[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCCO1 ZINC000776001993 628093307 /nfs/dbraw/zinc/09/33/07/628093307.db2.gz RLYQECGGOIIORW-ZIAGYGMSSA-N 0 3 279.767 2.624 20 30 CFEDHN C#C[C@@H](NCc1cc(Cl)cc(C)c1O)[C@H]1CCCO1 ZINC000776001993 628093312 /nfs/dbraw/zinc/09/33/12/628093312.db2.gz RLYQECGGOIIORW-ZIAGYGMSSA-N 0 3 279.767 2.624 20 30 CFEDHN C#CCOCCN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000852019576 634629178 /nfs/dbraw/zinc/62/91/78/634629178.db2.gz ZXJUSWRONLBWEJ-GFCCVEGCSA-N 0 3 275.314 2.691 20 30 CFEDHN C=CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776608682 628164649 /nfs/dbraw/zinc/16/46/49/628164649.db2.gz DSUYJAHDMPZRQA-CHWSQXEVSA-N 0 3 268.401 2.892 20 30 CFEDHN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000776728060 628171454 /nfs/dbraw/zinc/17/14/54/628171454.db2.gz QCFPEHHPSAKLCU-YGRLFVJLSA-N 0 3 274.295 2.675 20 30 CFEDHN CC(C)OCCNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000778547632 628314821 /nfs/dbraw/zinc/31/48/21/628314821.db2.gz ZUEHJPUXQPBSKU-INIZCTEOSA-N 0 3 281.444 2.786 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000852097040 634650293 /nfs/dbraw/zinc/65/02/93/634650293.db2.gz JCFIWONZEXWBPW-YJBOKZPZSA-N 0 3 286.419 2.872 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000852097494 634650324 /nfs/dbraw/zinc/65/03/24/634650324.db2.gz PZVYUXUKBUMZIB-PBHICJAKSA-N 0 3 272.392 2.598 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2nc(Cl)ccc21 ZINC000806148049 628362144 /nfs/dbraw/zinc/36/21/44/628362144.db2.gz BZILTZQPMNBKAV-LBPRGKRZSA-N 0 3 266.772 2.905 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000852099117 634653102 /nfs/dbraw/zinc/65/31/02/634653102.db2.gz FEQAFEITQYIXGK-RLFYNMQTSA-N 0 3 286.419 2.952 20 30 CFEDHN C#C[C@](C)(CC)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000852100227 634654517 /nfs/dbraw/zinc/65/45/17/634654517.db2.gz GFLFGLFGOFWMEB-FUHWJXTLSA-N 0 3 284.403 2.569 20 30 CFEDHN CCN(C)c1ccc(C(C)=NN[C@@H]2CCCOC2)cc1 ZINC000780249499 628444759 /nfs/dbraw/zinc/44/47/59/628444759.db2.gz AXCMKYCTKNGLTI-OAHLLOKOSA-N 0 3 275.396 2.635 20 30 CFEDHN CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(N)cc1C ZINC000780249642 628444793 /nfs/dbraw/zinc/44/47/93/628444793.db2.gz JTJBNUDUDXXWJQ-AWEZNQCLSA-N 0 3 275.396 2.848 20 30 CFEDHN C#C[C@](C)(CC)NC[C@@H](O)c1ccc(F)cc1Cl ZINC000852103735 634659246 /nfs/dbraw/zinc/65/92/46/634659246.db2.gz PUOUASOCDUEAHO-ZIAGYGMSSA-N 0 3 269.747 2.904 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000852103690 634659560 /nfs/dbraw/zinc/65/95/60/634659560.db2.gz PCIXNDCJYCKMFD-DOMZBBRYSA-N 0 3 279.405 2.543 20 30 CFEDHN CC(C)C[C@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000781419844 628547143 /nfs/dbraw/zinc/54/71/43/628547143.db2.gz DWVJPEWJALEWDW-YPMHNXCESA-N 0 3 264.344 2.755 20 30 CFEDHN COc1cc(C)c(CNCc2ccc(C#N)cc2)c(C)n1 ZINC000781626930 628568214 /nfs/dbraw/zinc/56/82/14/628568214.db2.gz MUWFWVLYUDGVJS-UHFFFAOYSA-N 0 3 281.359 2.869 20 30 CFEDHN COc1cccc([O-])c1C[NH+]1CCC(CC#N)CC1 ZINC000781927320 628591554 /nfs/dbraw/zinc/59/15/54/628591554.db2.gz MQZZZIYLLSNZBG-UHFFFAOYSA-N 0 3 260.337 2.526 20 30 CFEDHN C[C@@H](C1CC1)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000782180480 628610225 /nfs/dbraw/zinc/61/02/25/628610225.db2.gz GITDAMJLEVNWEO-LBPRGKRZSA-N 0 3 273.355 2.618 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cn1)c1ccccc1O ZINC000783292312 628697799 /nfs/dbraw/zinc/69/77/99/628697799.db2.gz ADJDCXCQLSFUNK-OAHLLOKOSA-N 0 3 267.332 2.900 20 30 CFEDHN CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1[O-] ZINC000783292312 628697800 /nfs/dbraw/zinc/69/78/00/628697800.db2.gz ADJDCXCQLSFUNK-OAHLLOKOSA-N 0 3 267.332 2.900 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCCCS1 ZINC000783348992 628700650 /nfs/dbraw/zinc/70/06/50/628700650.db2.gz BFCNHDVAKWMMTN-STQMWFEESA-N 0 3 288.372 2.620 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1 ZINC000783727811 628738567 /nfs/dbraw/zinc/73/85/67/628738567.db2.gz FMQYNUKZNYWWKF-BBRMVZONSA-N 0 3 288.391 2.570 20 30 CFEDHN C#CCOCCN1CCC[C@H]1Cc1cc(F)ccc1F ZINC000852182594 634682319 /nfs/dbraw/zinc/68/23/19/634682319.db2.gz ZAPGOIQRRPAORA-HNNXBMFYSA-N 0 3 279.330 2.622 20 30 CFEDHN N#CCOc1ccc(Cl)cc1CN(CCO)C1CCC1 ZINC000784393097 628813849 /nfs/dbraw/zinc/81/38/49/628813849.db2.gz SKWUCVRFKHFYQU-UHFFFAOYSA-N 0 3 294.782 2.589 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000785536238 628892148 /nfs/dbraw/zinc/89/21/48/628892148.db2.gz CZGULKBGOUIMIC-UKRRQHHQSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785998297 628929504 /nfs/dbraw/zinc/92/95/04/628929504.db2.gz CBNJWOWIBVSXHK-CHWSQXEVSA-N 0 3 268.401 2.940 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786272237 628946058 /nfs/dbraw/zinc/94/60/58/628946058.db2.gz VDHOHKGVLBNXDV-QWHCGFSZSA-N 0 3 297.358 2.566 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786272239 628946069 /nfs/dbraw/zinc/94/60/69/628946069.db2.gz VDHOHKGVLBNXDV-STQMWFEESA-N 0 3 297.358 2.566 20 30 CFEDHN CCCCC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786547696 628967908 /nfs/dbraw/zinc/96/79/08/628967908.db2.gz VZXOLZISFTUEGF-CYBMUJFWSA-N 0 3 292.766 2.855 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1CCC1 ZINC000787074084 628991477 /nfs/dbraw/zinc/99/14/77/628991477.db2.gz XGPNFAHHBBXEPC-OAHLLOKOSA-N 0 3 284.359 2.544 20 30 CFEDHN C#CCC1(C(=O)N(CCC)CCN(C)C)CCCCC1 ZINC000788173333 629048636 /nfs/dbraw/zinc/04/86/36/629048636.db2.gz SOTAVAGCNRWSGK-UHFFFAOYSA-N 0 3 278.440 2.760 20 30 CFEDHN C#CCC1(C(=O)N2CCCN(C(C)C)CC2)CCCCC1 ZINC000788200228 629050200 /nfs/dbraw/zinc/05/02/00/629050200.db2.gz GBURMRWGIRJLNT-UHFFFAOYSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCC1(C(=O)OCCN2CCCCC2)CCCCC1 ZINC000788216564 629051529 /nfs/dbraw/zinc/05/15/29/629051529.db2.gz YVWVHZMIGYFXLT-UHFFFAOYSA-N 0 3 277.408 2.989 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788798767 629100404 /nfs/dbraw/zinc/10/04/04/629100404.db2.gz BGXPHMODYYMUFA-SNVBAGLBSA-N 0 3 274.324 2.521 20 30 CFEDHN CC(=NNC(=N)N)c1cc(F)ccc1SC(C)(C)C ZINC000790289822 629225859 /nfs/dbraw/zinc/22/58/59/629225859.db2.gz HPQIJQUDEXBXJE-UHFFFAOYSA-N 0 3 282.388 2.923 20 30 CFEDHN COc1ccc(C=N[N-]c2[nH+]ccn2C)c(Cl)c1OC ZINC000790306287 629229802 /nfs/dbraw/zinc/22/98/02/629229802.db2.gz WJAOOZNWDJIOHX-UHFFFAOYSA-N 0 3 294.742 2.537 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000852319025 634719080 /nfs/dbraw/zinc/71/90/80/634719080.db2.gz FJFUHHAXJQICIP-SWLSCSKDSA-N 0 3 278.783 2.999 20 30 CFEDHN Cc1ccccc1OCCN1CCC[C@@H](CC#N)C1 ZINC000852318788 634719393 /nfs/dbraw/zinc/71/93/93/634719393.db2.gz BJJFGJULRGOUTM-HNNXBMFYSA-N 0 3 258.365 3.000 20 30 CFEDHN C#CCN(C[C@@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000791494658 629321397 /nfs/dbraw/zinc/32/13/97/629321397.db2.gz WOWNPLYLSBFQNG-IBGZPJMESA-N 0 3 279.383 2.841 20 30 CFEDHN C=CCN(Cc1ccc(OC(C)=O)cc1)[C@H](C)COC ZINC000852356748 634730927 /nfs/dbraw/zinc/73/09/27/634730927.db2.gz NCZPDALECFNYFX-CYBMUJFWSA-N 0 3 277.364 2.635 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(F)cc1C)[C@@H](C)COC ZINC000852358139 634731952 /nfs/dbraw/zinc/73/19/52/634731952.db2.gz NOCAPJGPXNOSSH-XJKSGUPXSA-N 0 3 281.371 2.690 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2nccc3ccccc32)CCCO1 ZINC000792106178 629398134 /nfs/dbraw/zinc/39/81/34/629398134.db2.gz PLAJZUIECNAWLJ-RHSMWYFYSA-N 0 3 280.327 2.980 20 30 CFEDHN C=CC(C)(C)C(=O)C(C#N)c1nc(C(=O)OCC)cs1 ZINC000835109628 629414050 /nfs/dbraw/zinc/41/40/50/629414050.db2.gz MZTRRQBPIMRTDN-VIFPVBQESA-N 0 3 292.360 2.708 20 30 CFEDHN C=CCCCCC[C@H](C)N[C@@H](C)c1nncn1C ZINC000793527174 629561971 /nfs/dbraw/zinc/56/19/71/629561971.db2.gz OLBRPFAFRYFJRU-STQMWFEESA-N 0 3 250.390 2.991 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000794802492 629687703 /nfs/dbraw/zinc/68/77/03/629687703.db2.gz FZDJXRWRRUJZDF-QAPCUYQASA-N 0 3 285.387 2.605 20 30 CFEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNC1CCCC1 ZINC000794902210 629701564 /nfs/dbraw/zinc/70/15/64/629701564.db2.gz NSRBOVQCPOYJKA-UHFFFAOYSA-N 0 3 283.379 2.629 20 30 CFEDHN COCCN(C)N=Cc1ccc(N2CCCCC2)cc1 ZINC000794975260 629713680 /nfs/dbraw/zinc/71/36/80/629713680.db2.gz VVIKPNWSFHXYAI-UHFFFAOYSA-N 0 3 275.396 2.589 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1(O)CCCCC1 ZINC000796385467 629911912 /nfs/dbraw/zinc/91/19/12/629911912.db2.gz VKIJQAXIAXJCMF-UHFFFAOYSA-N 0 3 293.407 2.845 20 30 CFEDHN Cc1ccc([C@H](O)[C@H](C)NCc2ccc(C#N)o2)cc1 ZINC000796486644 629925758 /nfs/dbraw/zinc/92/57/58/629925758.db2.gz POSCQQIYPLHMNL-BLLLJJGKSA-N 0 3 270.332 2.671 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H](O)CCC(C)C ZINC000796641767 629944110 /nfs/dbraw/zinc/94/41/10/629944110.db2.gz QXVOTQMMMWAEAK-QGZVFWFLSA-N 0 3 259.393 2.919 20 30 CFEDHN C[C@@H](C#N)OCCN(Cc1ccccc1F)CC1CC1 ZINC000852564695 634781401 /nfs/dbraw/zinc/78/14/01/634781401.db2.gz QPVYOZHJMLOYNJ-ZDUSSCGKSA-N 0 3 276.355 2.966 20 30 CFEDHN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC=C(C)C1 ZINC000797823420 630108315 /nfs/dbraw/zinc/10/83/15/630108315.db2.gz WQOCMNFOHWYUHN-UHFFFAOYSA-N 0 3 293.374 2.735 20 30 CFEDHN CC(C)(CO)CNN=Cc1ccc(N2CCCCC2)cc1 ZINC000799114620 630276745 /nfs/dbraw/zinc/27/67/45/630276745.db2.gz GGXBBCRXKUJULD-UHFFFAOYSA-N 0 3 289.423 2.619 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000799339451 630301194 /nfs/dbraw/zinc/30/11/94/630301194.db2.gz PFHPPXAETNQKHZ-WMLDXEAASA-N 0 3 298.430 2.818 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CCO)Cc2ccccc2)c(F)c1 ZINC000799350145 630302899 /nfs/dbraw/zinc/30/28/99/630302899.db2.gz PNKWTVHIQFFKIP-KRWDZBQOSA-N 0 3 298.361 2.781 20 30 CFEDHN CN1CCN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000799723131 630339831 /nfs/dbraw/zinc/33/98/31/630339831.db2.gz ZZELSGUAWNUXLG-GOEBONIOSA-N 0 3 284.407 2.543 20 30 CFEDHN C#C[C@@H](NCCSC1CCCCC1)[C@H]1CCCO1 ZINC000800374416 630375015 /nfs/dbraw/zinc/37/50/15/630375015.db2.gz JBOZYZJDIDGJDN-HUUCEWRRSA-N 0 3 267.438 2.823 20 30 CFEDHN COCCN(CCO[C@H](C)C#N)Cc1ccc(C)cc1C ZINC000801913210 630486116 /nfs/dbraw/zinc/48/61/16/630486116.db2.gz AGXYKJZQUDASMC-MRXNPFEDSA-N 0 3 290.407 2.681 20 30 CFEDHN C[C@H](C#N)OCCN(CCC(F)(F)F)CC1CC1 ZINC000801925886 630487946 /nfs/dbraw/zinc/48/79/46/630487946.db2.gz KFIMLZPUYBAKJE-SNVBAGLBSA-N 0 3 264.291 2.579 20 30 CFEDHN Cc1cccc(NC2CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000801932873 630491100 /nfs/dbraw/zinc/49/11/00/630491100.db2.gz ADXOKNVEPSBHPI-OAHLLOKOSA-N 0 3 287.407 2.800 20 30 CFEDHN C[C@@H](C#N)OCCN1Cc2ccccc2C(C)(C)C1 ZINC000801936782 630491502 /nfs/dbraw/zinc/49/15/02/630491502.db2.gz WOJPIESDJUEONP-ZDUSSCGKSA-N 0 3 258.365 2.708 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NCCO[C@H](C)C#N ZINC000801937912 630492400 /nfs/dbraw/zinc/49/24/00/630492400.db2.gz XVWANPJVWTVPDP-OLZOCXBDSA-N 0 3 262.353 2.583 20 30 CFEDHN C#CCN[C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801957281 630495412 /nfs/dbraw/zinc/49/54/12/630495412.db2.gz HFMISTNOMNSXIF-GJZGRUSLSA-N 0 3 280.774 2.837 20 30 CFEDHN N#Cc1sc(N[C@@H]2CCN(CC3CC3)C2)nc1Cl ZINC000804441625 630681450 /nfs/dbraw/zinc/68/14/50/630681450.db2.gz GLWSXRONHWCPBF-SECBINFHSA-N 0 3 282.800 2.564 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000804458547 630683486 /nfs/dbraw/zinc/68/34/86/630683486.db2.gz MHWNQKIOQVMUPT-SOLBZPMBSA-N 0 3 298.430 2.610 20 30 CFEDHN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1CCC ZINC000804457334 630683624 /nfs/dbraw/zinc/68/36/24/630683624.db2.gz SPKYPAJSJFISIJ-ZWKOTPCHSA-N 0 3 298.430 2.612 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000804458545 630683788 /nfs/dbraw/zinc/68/37/88/630683788.db2.gz MHWNQKIOQVMUPT-JFIYKMOQSA-N 0 3 298.430 2.610 20 30 CFEDHN C[C@@H]1CCCN1CCNc1nc(Cl)c(C#N)s1 ZINC000804522082 630689387 /nfs/dbraw/zinc/68/93/87/630689387.db2.gz OKVSVZSEXLMFST-MRVPVSSYSA-N 0 3 270.789 2.564 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)CN(C)C)c([O-])c1 ZINC000804599307 630763006 /nfs/dbraw/zinc/76/30/06/630763006.db2.gz XTWHPAMRXXSKBT-HNEYUBDGSA-N 0 3 277.412 2.607 20 30 CFEDHN CCCC[C@@H](ON=C(C)C)C(=O)N(CCN(C)C)C1CC1 ZINC000807265247 630872769 /nfs/dbraw/zinc/87/27/69/630872769.db2.gz GLCLOFVFLNZGNH-OAHLLOKOSA-N 0 3 297.443 2.510 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC000837361780 631013187 /nfs/dbraw/zinc/01/31/87/631013187.db2.gz ULBDLOOGWJXUPM-RDJZCZTQSA-N 0 3 298.430 2.988 20 30 CFEDHN C#C[C@H]1COCCN1Cn1ccc(=S)c2ccccc21 ZINC000840168019 631105734 /nfs/dbraw/zinc/10/57/34/631105734.db2.gz IVTUIPPRLIZVQN-ZDUSSCGKSA-N 0 3 284.384 2.662 20 30 CFEDHN C=CCN1CCC(Nc2cccc(Br)n2)CC1 ZINC000809353696 631217802 /nfs/dbraw/zinc/21/78/02/631217802.db2.gz NMFXOCGXPRSXBZ-UHFFFAOYSA-N 0 3 296.212 2.906 20 30 CFEDHN C#Cc1ccc(CN2CC[C@@H](OCC(C)C)C2)cc1 ZINC000809594463 631242996 /nfs/dbraw/zinc/24/29/96/631242996.db2.gz WWSFJHRVOCBELT-QGZVFWFLSA-N 0 3 257.377 2.915 20 30 CFEDHN C#Cc1ccc(CN[C@H]2CCCc3nc(C)ncc32)cc1 ZINC000809618651 631248098 /nfs/dbraw/zinc/24/80/98/631248098.db2.gz MSYLICAPZPFBCD-KRWDZBQOSA-N 0 3 277.371 2.934 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OCC)c(OCC)c1 ZINC000809685820 631263030 /nfs/dbraw/zinc/26/30/30/631263030.db2.gz TVNLWBADHBLLNR-AWEZNQCLSA-N 0 3 261.365 2.985 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000809718140 631270393 /nfs/dbraw/zinc/27/03/93/631270393.db2.gz GFVYARDBFUKVLB-NRFANRHFSA-N 0 3 297.423 2.836 20 30 CFEDHN C#C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)C(C)(C)C ZINC000809781369 631288078 /nfs/dbraw/zinc/28/80/78/631288078.db2.gz PKTVCHVRKXSPST-CQSZACIVSA-N 0 3 288.416 2.738 20 30 CFEDHN C#C[C@@H](NCc1cnc2ccc(C)cn12)C(C)(C)C ZINC000809783167 631289533 /nfs/dbraw/zinc/28/95/33/631289533.db2.gz TVDZOWFDRSVUOF-CQSZACIVSA-N 0 3 255.365 2.780 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)c1 ZINC000810529293 631382416 /nfs/dbraw/zinc/38/24/16/631382416.db2.gz CZUVZKWCKKQFIJ-CYBMUJFWSA-N 0 3 288.322 2.782 20 30 CFEDHN C[C@@]1(CCNC[C@@H](C#N)CCC#N)CC1(Cl)Cl ZINC000842156117 631555166 /nfs/dbraw/zinc/55/51/66/631555166.db2.gz LTGNUYHUBRRGHZ-GHMZBOCLSA-N 0 3 274.195 2.994 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811466112 631566575 /nfs/dbraw/zinc/56/65/75/631566575.db2.gz RXFNOSRDGQKCMY-BBRMVZONSA-N 0 3 282.403 2.766 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811496447 631571636 /nfs/dbraw/zinc/57/16/36/631571636.db2.gz XHLPAAWXIHZGCK-KBPBESRZSA-N 0 3 282.428 2.879 20 30 CFEDHN C#C[C@H](C)N(C)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811496449 631571966 /nfs/dbraw/zinc/57/19/66/631571966.db2.gz XHLPAAWXIHZGCK-UONOGXRCSA-N 0 3 282.428 2.879 20 30 CFEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000842291831 631579977 /nfs/dbraw/zinc/57/99/77/631579977.db2.gz QIIWKRMBAGCGLU-PMPSAXMXSA-N 0 3 296.370 2.558 20 30 CFEDHN CC[C@@H](O)CNN=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000811653049 631594364 /nfs/dbraw/zinc/59/43/64/631594364.db2.gz FLESMSVGMHKYRF-DMDHLCOLSA-N 0 3 287.407 2.644 20 30 CFEDHN COCCON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842527263 631652473 /nfs/dbraw/zinc/65/24/73/631652473.db2.gz HKJDWRWJJZYHDB-UHFFFAOYSA-N 0 3 288.391 2.834 20 30 CFEDHN CCCON=Cc1ccc(N(CC)CCO)cc1C ZINC000842566199 631665179 /nfs/dbraw/zinc/66/51/79/631665179.db2.gz WMQZPYHDERBAGK-UHFFFAOYSA-N 0 3 264.369 2.574 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc3c(n2)CCCC3)CC1 ZINC000840257401 631729873 /nfs/dbraw/zinc/72/98/73/631729873.db2.gz JDUAGMZQAQXHBG-UHFFFAOYSA-N 0 3 286.423 2.808 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849649 631796369 /nfs/dbraw/zinc/79/63/69/631796369.db2.gz QXCOZRRKOOWQGL-RDTXWAMCSA-N 0 3 295.386 2.897 20 30 CFEDHN C=CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813104131 631840163 /nfs/dbraw/zinc/84/01/63/631840163.db2.gz KJZSWIBXKLNUKY-JSGCOSHPSA-N 0 3 277.320 2.945 20 30 CFEDHN CC[C@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211636 631881608 /nfs/dbraw/zinc/88/16/08/631881608.db2.gz NRCFBHVSLMCQOH-ONGXEEELSA-N 0 3 286.253 2.702 20 30 CFEDHN COC(C)(C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813219214 631882608 /nfs/dbraw/zinc/88/26/08/631882608.db2.gz XXHFSSUMDRFXFJ-SECBINFHSA-N 0 3 286.253 2.702 20 30 CFEDHN C#CC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000843424692 631953198 /nfs/dbraw/zinc/95/31/98/631953198.db2.gz ZBORTDHBTIOYGL-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#CC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000843424692 631953201 /nfs/dbraw/zinc/95/32/01/631953201.db2.gz ZBORTDHBTIOYGL-CYBMUJFWSA-N 0 3 259.349 2.636 20 30 CFEDHN C#C[C@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C(C)(C)C ZINC000813778371 631958237 /nfs/dbraw/zinc/95/82/37/631958237.db2.gz YCUXSDBSORKROO-GJZGRUSLSA-N 0 3 278.440 2.661 20 30 CFEDHN CCc1ccc(C#CC(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000814490680 632077151 /nfs/dbraw/zinc/07/71/51/632077151.db2.gz NSUGEGHWMZDIGJ-INIZCTEOSA-N 0 3 298.430 2.591 20 30 CFEDHN CCCN(C(=O)/C=C\c1ccccc1C#N)[C@H]1CCN(C)C1 ZINC000843991089 632089812 /nfs/dbraw/zinc/08/98/12/632089812.db2.gz IGNJTTVMYHTTDU-JJEJIETFSA-N 0 3 297.402 2.514 20 30 CFEDHN CCCCCCCCCN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844435276 632210226 /nfs/dbraw/zinc/21/02/26/632210226.db2.gz WSMYUYDDLJMOTA-GRDNDAEWSA-N 0 3 257.443 2.942 20 30 CFEDHN C[C@H](C#N)OCCN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000844468780 632222327 /nfs/dbraw/zinc/22/23/27/632222327.db2.gz MMRFTZGFQFGQQN-QWHCGFSZSA-N 0 3 276.355 2.716 20 30 CFEDHN C=CCC(F)(F)C(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000815541666 632287893 /nfs/dbraw/zinc/28/78/93/632287893.db2.gz KULHVOZNRSXIFW-CYBMUJFWSA-N 0 3 294.345 2.717 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000815652370 632306676 /nfs/dbraw/zinc/30/66/76/632306676.db2.gz ZRDUMOVOHCXIMW-CYBMUJFWSA-N 0 3 294.826 2.960 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC2(C#N)CC2)cc1 ZINC000815908081 632332521 /nfs/dbraw/zinc/33/25/21/632332521.db2.gz RQYZANVWTFXIRC-AWEZNQCLSA-N 0 3 295.342 2.590 20 30 CFEDHN C=C[C@@H](C)ONC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000845631535 632494180 /nfs/dbraw/zinc/49/41/80/632494180.db2.gz RINBBOYGWJOQNJ-CQSZACIVSA-N 0 3 297.443 2.646 20 30 CFEDHN C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1C ZINC000816648763 632503710 /nfs/dbraw/zinc/50/37/10/632503710.db2.gz ORRGPUWNFOZJNL-ZIAGYGMSSA-N 0 3 295.390 2.699 20 30 CFEDHN CC[C@H]1CN(C)CCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816660648 632506421 /nfs/dbraw/zinc/50/64/21/632506421.db2.gz LFYJIFBMBLYYCG-ZBFHGGJFSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(Br)CN[C@@H](COC)CC(C)(C)C ZINC000845934947 632600410 /nfs/dbraw/zinc/60/04/10/632600410.db2.gz HOBXQHBWHTXIJE-SNVBAGLBSA-N 0 3 264.207 2.936 20 30 CFEDHN CCOC(=O)C(C)(C)CCC[C@@H](C)NCCC#N ZINC000845965104 632606350 /nfs/dbraw/zinc/60/63/50/632606350.db2.gz RPHBFWJDHBRMMO-GFCCVEGCSA-N 0 3 254.374 2.638 20 30 CFEDHN CN(CCC#N)c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846109063 632633287 /nfs/dbraw/zinc/63/32/87/632633287.db2.gz CRGGWDZGYUCZGY-GASCZTMLSA-N 0 3 291.345 2.733 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CC1(F)F ZINC000817729829 632695612 /nfs/dbraw/zinc/69/56/12/632695612.db2.gz BWLIDRAKDBBLGX-XPTSAGLGSA-N 0 3 287.269 2.851 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CC1(F)F ZINC000817729828 632695912 /nfs/dbraw/zinc/69/59/12/632695912.db2.gz BWLIDRAKDBBLGX-OTYXRUKQSA-N 0 3 287.269 2.851 20 30 CFEDHN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000846550751 632738813 /nfs/dbraw/zinc/73/88/13/632738813.db2.gz OZLBMFVIGNZKDC-ZBFHGGJFSA-N 0 3 288.391 2.521 20 30 CFEDHN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000846550751 632738817 /nfs/dbraw/zinc/73/88/17/632738817.db2.gz OZLBMFVIGNZKDC-ZBFHGGJFSA-N 0 3 288.391 2.521 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000818346162 632834879 /nfs/dbraw/zinc/83/48/79/632834879.db2.gz AFOQUIBUKCTZGS-GUTXKFCHSA-N 0 3 259.349 2.560 20 30 CFEDHN Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1C#N ZINC000847254375 632963010 /nfs/dbraw/zinc/96/30/10/632963010.db2.gz FHUYCKUZZGBGIR-DLBZAZTESA-N 0 3 297.402 2.613 20 30 CFEDHN N#CCCCCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000847648402 633021322 /nfs/dbraw/zinc/02/13/22/633021322.db2.gz FBMIKSZHEACRBB-INIZCTEOSA-N 0 3 286.375 2.888 20 30 CFEDHN CC(C)(CC#N)CNC[C@H](O)c1c(F)cccc1F ZINC000819361092 633110060 /nfs/dbraw/zinc/11/00/60/633110060.db2.gz CHZWLCAIMOBXRW-LBPRGKRZSA-N 0 3 268.307 2.528 20 30 CFEDHN CN(C(=O)[C@H](N)CCCCC#N)C1CCCCCCC1 ZINC000848398398 633249009 /nfs/dbraw/zinc/24/90/09/633249009.db2.gz HOWMEZLFYTVCQC-OAHLLOKOSA-N 0 3 279.428 2.969 20 30 CFEDHN CC[C@@](C)(NC(=O)[C@@H](N)CCCCC#N)c1ccccc1 ZINC000848398965 633249020 /nfs/dbraw/zinc/24/90/20/633249020.db2.gz NCEQOPDLHAMIOT-DOTOQJQBSA-N 0 3 287.407 2.839 20 30 CFEDHN COc1cccc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848408614 633250934 /nfs/dbraw/zinc/25/09/34/633250934.db2.gz UDCBEBAXYQKVQE-ZDUSSCGKSA-N 0 3 274.368 2.506 20 30 CFEDHN COc1ccc(N=NC2CCCN3CCCC[C@H]23)nc1 ZINC000848409151 633251182 /nfs/dbraw/zinc/25/11/82/633251182.db2.gz NUKZGZBXOMPSQG-CQSZACIVSA-N 0 3 274.368 2.506 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2c(C)nn(CCC)c2C)C1 ZINC000848924401 633407667 /nfs/dbraw/zinc/40/76/67/633407667.db2.gz RLKIDCQXNJZDPL-OAHLLOKOSA-N 0 3 259.397 2.755 20 30 CFEDHN N#Cc1ccc(CCOC(=O)C2CCN(C3CC3)CC2)cc1 ZINC000849774036 633713131 /nfs/dbraw/zinc/71/31/31/633713131.db2.gz MCYHTRBDBPIZOC-UHFFFAOYSA-N 0 3 298.386 2.518 20 30 CFEDHN C=CCCn1cc(CNC[C@H](C)C(C)(C)C)nn1 ZINC000850138028 633853029 /nfs/dbraw/zinc/85/30/29/633853029.db2.gz XPOQWQUOIDISDA-LBPRGKRZSA-N 0 3 250.390 2.626 20 30 CFEDHN C#C[C@@H](NCc1cc2ccncc2s1)[C@H]1CCCO1 ZINC000850250871 633913304 /nfs/dbraw/zinc/91/33/04/633913304.db2.gz FDYXDBHJIRMCDB-ZIAGYGMSSA-N 0 3 272.373 2.567 20 30 CFEDHN C#CCOc1ccc(CN[C@@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850421379 633984982 /nfs/dbraw/zinc/98/49/82/633984982.db2.gz XPKFSECZZVTYTK-HNAYVOBHSA-N 0 3 295.382 2.910 20 30 CFEDHN C#CCOc1ccc(CN[C@H](c2ccccc2)[C@H](C)O)cc1 ZINC000850421380 633985158 /nfs/dbraw/zinc/98/51/58/633985158.db2.gz XPKFSECZZVTYTK-KXBFYZLASA-N 0 3 295.382 2.910 20 30 CFEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CC[C@H]2O)cc1OC ZINC000858182684 636149551 /nfs/dbraw/zinc/14/95/51/636149551.db2.gz COPGKKIREAXRPB-CHWSQXEVSA-N 0 3 297.782 2.526 20 30 CFEDHN C[C@@H](CC#N)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782503 634090887 /nfs/dbraw/zinc/09/08/87/634090887.db2.gz NBXGKUMSLNSEEE-VHSXEESVSA-N 0 3 253.261 2.554 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CC3(CC3)C2)c1 ZINC000850976393 634162338 /nfs/dbraw/zinc/16/23/38/634162338.db2.gz CRWNTBYJISFEGO-HNNXBMFYSA-N 0 3 296.370 2.510 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)OC(=O)C1CCN(C2CC2)CC1 ZINC000851204016 634269109 /nfs/dbraw/zinc/26/91/09/634269109.db2.gz INSUDFGIAYBCPV-LBPRGKRZSA-N 0 3 278.396 2.732 20 30 CFEDHN C#Cc1cccnc1NC[C@@H](c1cccs1)N(C)C ZINC000853087813 634899688 /nfs/dbraw/zinc/89/96/88/634899688.db2.gz MPSLBLIVBLMMBS-ZDUSSCGKSA-N 0 3 271.389 2.839 20 30 CFEDHN CCC(Cc1ccc(Br)cc1)=Nn1cnnc1 ZINC000853254602 634953389 /nfs/dbraw/zinc/95/33/89/634953389.db2.gz YYOACEGZKBBZJG-UHFFFAOYSA-N 0 3 293.168 2.897 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C(=O)C(C)(C)[C@H]2C2CC2)C1 ZINC000853537186 635031524 /nfs/dbraw/zinc/03/15/24/635031524.db2.gz QSQSBPGNZLBFMQ-UKRRQHHQSA-N 0 3 276.424 2.879 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2CCSC2=S)C1 ZINC000853537096 635031660 /nfs/dbraw/zinc/03/16/60/635031660.db2.gz OWEDVCZULZHPFD-LLVKDONJSA-N 0 3 256.440 2.566 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C(C)(C)C1(C)C ZINC000853598173 635046183 /nfs/dbraw/zinc/04/61/83/635046183.db2.gz NCGZAXIRLPAZAL-BETUJISGSA-N 0 3 262.397 2.774 20 30 CFEDHN C=C(CN(C)C)C(=O)N(OC)[C@H](C)c1ccccc1C ZINC000854522056 635325781 /nfs/dbraw/zinc/32/57/81/635325781.db2.gz QZCHAHXUNCGKOU-CQSZACIVSA-N 0 3 276.380 2.564 20 30 CFEDHN C[C@H]1COC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000925488507 635393643 /nfs/dbraw/zinc/39/36/43/635393643.db2.gz KAJJXSVRSOYWQS-FZMZJTMJSA-N 0 3 283.293 2.681 20 30 CFEDHN C=CCN1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819418 635869335 /nfs/dbraw/zinc/86/93/35/635869335.db2.gz UVIMRTFDMKVGEQ-DOMZBBRYSA-N 0 3 266.385 2.552 20 30 CFEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@H](C)CC#N ZINC000857574088 635986126 /nfs/dbraw/zinc/98/61/26/635986126.db2.gz YXISHEHUPQAHCJ-UKPHBRMFSA-N 0 3 297.402 2.679 20 30 CFEDHN C#CCCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029197 636116497 /nfs/dbraw/zinc/11/64/97/636116497.db2.gz UAZWTFITOUQUTF-MRXNPFEDSA-N 0 3 270.376 2.826 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccccc1Br ZINC000858332409 636192773 /nfs/dbraw/zinc/19/27/73/636192773.db2.gz VAQQAQHGGCDOCL-CYBMUJFWSA-N 0 3 296.208 2.967 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cnc(-c2ccccc2)nc1 ZINC000858333856 636193538 /nfs/dbraw/zinc/19/35/38/636193538.db2.gz OOZRFWPOYZDCLR-QGZVFWFLSA-N 0 3 295.386 2.662 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000858334699 636195573 /nfs/dbraw/zinc/19/55/73/636195573.db2.gz XTDAZTGIBIYVJM-GUTXKFCHSA-N 0 3 261.365 2.921 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccnc(CO)c1 ZINC000858573024 636297602 /nfs/dbraw/zinc/29/76/02/636297602.db2.gz WKQJZQZREAWOOL-KRWDZBQOSA-N 0 3 279.343 2.935 20 30 CFEDHN C=CCN1CCC(NC(=O)OCc2ccccc2C)CC1 ZINC000858950933 636392176 /nfs/dbraw/zinc/39/21/76/636392176.db2.gz QTHOQFGEBPXOOH-UHFFFAOYSA-N 0 3 288.391 2.872 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H](OCC)C1CC1 ZINC000859300942 636535572 /nfs/dbraw/zinc/53/55/72/636535572.db2.gz GGLCMRDWEXCTPJ-KRWDZBQOSA-N 0 3 257.377 2.937 20 30 CFEDHN CCC#C[C@@H](C)N(CC)CCNC(=O)OC(C)(C)C ZINC000859532024 636591101 /nfs/dbraw/zinc/59/11/01/636591101.db2.gz RRPTUVBSYWARHH-CYBMUJFWSA-N 0 3 268.401 2.635 20 30 CFEDHN CCC#C[C@H](C)N(CC)CCNC(=O)OC(C)(C)C ZINC000859532025 636591753 /nfs/dbraw/zinc/59/17/53/636591753.db2.gz RRPTUVBSYWARHH-ZDUSSCGKSA-N 0 3 268.401 2.635 20 30 CFEDHN C[C@H](NCCOc1cccc(C#N)c1)c1ccns1 ZINC000860053431 636771627 /nfs/dbraw/zinc/77/16/27/636771627.db2.gz VQUUKMVCTBUFKE-NSHDSACASA-N 0 3 273.361 2.744 20 30 CFEDHN CCC(C#N)(CC)C(=O)OC[C@H](C)N1CCCCC1 ZINC000860862565 636993449 /nfs/dbraw/zinc/99/34/49/636993449.db2.gz MWWCYGFDVZKXOA-ZDUSSCGKSA-N 0 3 266.385 2.734 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2OC)C1 ZINC000862442772 637382073 /nfs/dbraw/zinc/38/20/73/637382073.db2.gz HNMCQNIYGKTHIB-ZDUSSCGKSA-N 0 3 289.375 2.558 20 30 CFEDHN C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862444893 637384631 /nfs/dbraw/zinc/38/46/31/637384631.db2.gz IDPGQCFVLVLYRO-NSHDSACASA-N 0 3 279.767 2.899 20 30 CFEDHN C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862444893 637384638 /nfs/dbraw/zinc/38/46/38/637384638.db2.gz IDPGQCFVLVLYRO-NSHDSACASA-N 0 3 279.767 2.899 20 30 CFEDHN C#CC[C@H]1CCN(Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000862447289 637387346 /nfs/dbraw/zinc/38/73/46/637387346.db2.gz LCYRIDIBMMFOJE-LBPRGKRZSA-N 0 3 291.778 2.972 20 30 CFEDHN N#CCc1cccc2c1CCN(C[C@@H]1CCC=CO1)C2 ZINC000862542164 637415619 /nfs/dbraw/zinc/41/56/19/637415619.db2.gz HKTRRMYLURNTQN-INIZCTEOSA-N 0 3 268.360 2.803 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000862549779 637421936 /nfs/dbraw/zinc/42/19/36/637421936.db2.gz DYMJQAMYLCNECJ-ZDUSSCGKSA-N 0 3 296.292 2.705 20 30 CFEDHN C#CC[C@H](COC)NCc1cc(Cl)c(O)c(OCC)c1 ZINC000862551063 637423328 /nfs/dbraw/zinc/42/33/28/637423328.db2.gz QOCWJBWROSEKDL-GFCCVEGCSA-N 0 3 297.782 2.572 20 30 CFEDHN C#CC[C@H](COC)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000862551063 637423337 /nfs/dbraw/zinc/42/33/37/637423337.db2.gz QOCWJBWROSEKDL-GFCCVEGCSA-N 0 3 297.782 2.572 20 30 CFEDHN C#CC[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000862563082 637430518 /nfs/dbraw/zinc/43/05/18/637430518.db2.gz IMOCIIHXGLFDSI-WMZOPIPTSA-N 0 3 296.414 2.523 20 30 CFEDHN CCOCc1cc(C=NNc2ccnc(C)c2)ccc1OC ZINC000863158838 637572844 /nfs/dbraw/zinc/57/28/44/637572844.db2.gz TZBJSVBGDBCLIJ-UHFFFAOYSA-N 0 3 299.374 2.803 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1ccc(C)nc1C ZINC000863159404 637574286 /nfs/dbraw/zinc/57/42/86/637574286.db2.gz PLWDRAPEBXSZGU-UHFFFAOYSA-N 0 3 254.337 2.660 20 30 CFEDHN Cc1cc(NN=Cc2cccc(OC3CC3)c2F)ccn1 ZINC000863161256 637575166 /nfs/dbraw/zinc/57/51/66/637575166.db2.gz ZUDLQGLCFLNOFJ-UHFFFAOYSA-N 0 3 285.322 2.938 20 30 CFEDHN C#CCCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000120022581 637957468 /nfs/dbraw/zinc/95/74/68/637957468.db2.gz ZTQJJDNGRRFILQ-UHFFFAOYSA-N 0 3 276.424 2.657 20 30 CFEDHN C=CCCC(C)(C)CNC(=S)NC1CCN(C)CC1 ZINC000865246620 638238757 /nfs/dbraw/zinc/23/87/57/638238757.db2.gz MIGGUTFVWXLOJP-UHFFFAOYSA-N 0 3 283.485 2.537 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc(OCC)c1 ZINC000865590815 638444570 /nfs/dbraw/zinc/44/45/70/638444570.db2.gz SCNYMNAAIPGBFJ-CABCVRRESA-N 0 3 265.328 2.658 20 30 CFEDHN C#CC[C@@H](COC)NCc1cccc(Cl)c1C ZINC000865645956 638485379 /nfs/dbraw/zinc/48/53/79/638485379.db2.gz DDIYPGMFFJFYKZ-ZDUSSCGKSA-N 0 3 251.757 2.776 20 30 CFEDHN C#CC[C@H](COC)NCc1cnc2c(F)cccc2c1 ZINC000865646637 638485480 /nfs/dbraw/zinc/48/54/80/638485480.db2.gz XAGNRLNMFNMRNX-CQSZACIVSA-N 0 3 272.323 2.502 20 30 CFEDHN CN1Cc2ccccc2[C@@H]1CNCc1ccc(C#N)cc1F ZINC000865806215 638583548 /nfs/dbraw/zinc/58/35/48/638583548.db2.gz NJYPYBSTKNKICE-SFHVURJKSA-N 0 3 295.361 2.974 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@H](NCc1csc([N+](=O)[O-])c1)C2 ZINC000865848559 638611678 /nfs/dbraw/zinc/61/16/78/638611678.db2.gz OMQVXMUQCPKNTR-CQSZACIVSA-N 0 3 299.355 2.785 20 30 CFEDHN C[C@@H](NCC(C)(C)F)c1ccc(OCC#N)cc1 ZINC000866408037 638816376 /nfs/dbraw/zinc/81/63/76/638816376.db2.gz FSONVQAWONMNLJ-LLVKDONJSA-N 0 3 250.317 2.988 20 30 CFEDHN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1nccs1 ZINC000866618204 638855929 /nfs/dbraw/zinc/85/59/29/638855929.db2.gz WWUCHTKKYCMGQU-IINYFYTJSA-N 0 3 269.373 2.833 20 30 CFEDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCC(C)(C)C#N)C1 ZINC000122289715 638979292 /nfs/dbraw/zinc/97/92/92/638979292.db2.gz MWINBKAXJXPPLZ-OLZOCXBDSA-N 0 3 295.427 2.962 20 30 CFEDHN CCN1CCCC[C@@H]1C(=O)C(C#N)c1nc(C)cs1 ZINC000122665941 639305175 /nfs/dbraw/zinc/30/51/75/639305175.db2.gz QGHRWGJJYUKIMS-VXGBXAGGSA-N 0 3 277.393 2.502 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000193438696 650653980 /nfs/dbraw/zinc/65/39/80/650653980.db2.gz DRSQKZVHXSUFAB-CYBMUJFWSA-N 0 3 282.299 2.858 20 30 CFEDHN C=CCCOCCN[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871879988 641496000 /nfs/dbraw/zinc/49/60/00/641496000.db2.gz MWDPZJGOCBYPPU-MRXNPFEDSA-N 0 3 290.407 2.894 20 30 CFEDHN COc1cccc2c1OCCCC2=NNc1ccnc(C)c1 ZINC000872393376 641789293 /nfs/dbraw/zinc/78/92/93/641789293.db2.gz VJFBTZZAMZOBDO-UHFFFAOYSA-N 0 3 297.358 2.809 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000872927118 641965793 /nfs/dbraw/zinc/96/57/93/641965793.db2.gz RUOQODGKIFSCGS-CYBMUJFWSA-N 0 3 279.428 2.515 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873158171 642041509 /nfs/dbraw/zinc/04/15/09/642041509.db2.gz SINDJSGSGVRZPO-QILLFSRXSA-N 0 3 285.387 2.746 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873158170 642042126 /nfs/dbraw/zinc/04/21/26/642042126.db2.gz SINDJSGSGVRZPO-HFTRVMKXSA-N 0 3 285.387 2.746 20 30 CFEDHN C#CCOc1ccc(CNC2(C)CC(F)(F)C2)cc1 ZINC000873197573 642061869 /nfs/dbraw/zinc/06/18/69/642061869.db2.gz HMTDSQVJWOFGEC-UHFFFAOYSA-N 0 3 265.303 2.976 20 30 CFEDHN CC[C@H](Cc1cccc(C)c1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000873497842 642222905 /nfs/dbraw/zinc/22/29/05/642222905.db2.gz PTBIDMUZYNDIRB-GDBMZVCRSA-N 0 3 298.386 2.551 20 30 CFEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCC=CCC1 ZINC000873496897 642223071 /nfs/dbraw/zinc/22/30/71/642223071.db2.gz FPSMYPBFJZYREY-HNNXBMFYSA-N 0 3 288.391 2.891 20 30 CFEDHN C=C(Br)CN[C@@H](CCCC)COC ZINC000125103190 642436372 /nfs/dbraw/zinc/43/63/72/642436372.db2.gz VDHTXFDQOOKSIB-JTQLQIEISA-N 0 3 250.180 2.690 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCCC(C)C ZINC000876548068 642916353 /nfs/dbraw/zinc/91/63/53/642916353.db2.gz RYIGWNGPYTXCNO-VXGBXAGGSA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)c1ccccc1C ZINC000876548988 642916436 /nfs/dbraw/zinc/91/64/36/642916436.db2.gz FTFLCECBORSNQK-LBPRGKRZSA-N 0 3 266.772 2.818 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccccc1SC ZINC000876549123 642917844 /nfs/dbraw/zinc/91/78/44/642917844.db2.gz GQZCAFISXAZNSV-VIFPVBQESA-N 0 3 270.785 2.817 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000876554945 642919673 /nfs/dbraw/zinc/91/96/73/642919673.db2.gz KUGJNNWQKDYOFG-LBPRGKRZSA-N 0 3 287.190 2.768 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000876558692 642921381 /nfs/dbraw/zinc/92/13/81/642921381.db2.gz ROVJYLKPTLORGE-PRHODGIISA-N 0 3 288.725 2.612 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000876559845 642922003 /nfs/dbraw/zinc/92/20/03/642922003.db2.gz HGFXYIDOMLGSQW-YPMHNXCESA-N 0 3 266.772 2.676 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2)CCC1 ZINC000876571931 642929359 /nfs/dbraw/zinc/92/93/59/642929359.db2.gz RUIXVPUTTZXISF-CQSZACIVSA-N 0 3 292.810 2.694 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(OC)cc1 ZINC000876576513 642931483 /nfs/dbraw/zinc/93/14/83/642931483.db2.gz IJIVMWSJUSBJBC-FZMZJTMJSA-N 0 3 296.798 2.685 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1F ZINC000876581746 642933303 /nfs/dbraw/zinc/93/33/03/642933303.db2.gz PBZFZRZEKANYTD-MFKMUULPSA-N 0 3 284.762 2.815 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC)c(OCC)c1 ZINC000876589472 642935930 /nfs/dbraw/zinc/93/59/30/642935930.db2.gz MSGWTANNTDSVFA-NSHDSACASA-N 0 3 298.770 2.502 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000876613652 642944658 /nfs/dbraw/zinc/94/46/58/642944658.db2.gz GIHDDNRRFGOGED-STQMWFEESA-N 0 3 299.201 2.913 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000876639729 642954694 /nfs/dbraw/zinc/95/46/94/642954694.db2.gz 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C#CCOc1ccccc1CN(C)[C@@H]1CCSC1 ZINC000130586979 645528832 /nfs/dbraw/zinc/52/88/32/645528832.db2.gz TVKIGSLATQQFLP-CQSZACIVSA-N 0 3 261.390 2.636 20 30 CFEDHN COc1cccc(CN(C)Cc2cccc(C#N)c2)c1O ZINC000130774224 645569637 /nfs/dbraw/zinc/56/96/37/645569637.db2.gz RBVDBZKZDCPKNN-UHFFFAOYSA-N 0 3 282.343 2.904 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(N(C)CC)nc2)cc1 ZINC000883132149 645619275 /nfs/dbraw/zinc/61/92/75/645619275.db2.gz HJHBZPRSTQRWQG-UHFFFAOYSA-N 0 3 279.387 2.809 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1ccc(SC)o1 ZINC000883191602 645653476 /nfs/dbraw/zinc/65/34/76/645653476.db2.gz FGBSEJSKMRXYBM-NSHDSACASA-N 0 3 253.367 2.520 20 30 CFEDHN C=CCC[C@H](NCc1cnccc1OC)[C@H]1CCCO1 ZINC000883224598 645674834 /nfs/dbraw/zinc/67/48/34/645674834.db2.gz OUPOCTLDRYRIGV-GOEBONIOSA-N 0 3 276.380 2.694 20 30 CFEDHN C=CCC[C@H](NCc1ncccc1OC)[C@@H]1CCCO1 ZINC000883226997 645677242 /nfs/dbraw/zinc/67/72/42/645677242.db2.gz JLNXKBBBSCMOLP-BBRMVZONSA-N 0 3 276.380 2.694 20 30 CFEDHN [NH2+]=C(NCc1ccc([O-])c(F)c1)Nc1ccc2c(c1)CCC2 ZINC000304765117 651034468 /nfs/dbraw/zinc/03/44/68/651034468.db2.gz YWPDGBZXMUOFCG-UHFFFAOYSA-N 0 3 299.349 2.947 20 30 CFEDHN C=CCCn1cc(CNCC(C)(C)CC(F)F)nn1 ZINC000883251303 645698589 /nfs/dbraw/zinc/69/85/89/645698589.db2.gz KJBDIQRMCAZGFA-UHFFFAOYSA-N 0 3 272.343 2.625 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCS[C@H](C)C2)cc1 ZINC000131348292 645705914 /nfs/dbraw/zinc/70/59/14/645705914.db2.gz MQTIXYXAYMFXHR-QWHCGFSZSA-N 0 3 276.405 2.915 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cccc(Cl)c1F ZINC000883400050 645796265 /nfs/dbraw/zinc/79/62/65/645796265.db2.gz CBGUGBJJINNORX-NSHDSACASA-N 0 3 257.736 2.896 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(F)c(F)c(F)c1 ZINC000883400070 645796574 /nfs/dbraw/zinc/79/65/74/645796574.db2.gz CNGNMWAFZOMGRY-SNVBAGLBSA-N 0 3 259.271 2.521 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC001006377110 646013101 /nfs/dbraw/zinc/01/31/01/646013101.db2.gz KEGDTKHHTNDVRT-UHFFFAOYSA-N 0 3 297.402 2.890 20 30 CFEDHN CC(C)c1ccc(NC(=O)C2CC3(C2)CNC[C@H]3C#N)cc1 ZINC000884045887 646148564 /nfs/dbraw/zinc/14/85/64/646148564.db2.gz LERTYAZJANAANF-SWKXRBFHSA-N 0 3 297.402 2.888 20 30 CFEDHN C=CC(C)(C)CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000884292444 646293589 /nfs/dbraw/zinc/29/35/89/646293589.db2.gz ZURKJGFFLSWKOA-UHFFFAOYSA-N 0 3 274.364 2.709 20 30 CFEDHN CC(=NOC1CCOCC1)c1c(C)cc(N)cc1C ZINC000884451015 646364576 /nfs/dbraw/zinc/36/45/76/646364576.db2.gz AIPUPZCEJXTXJT-UHFFFAOYSA-N 0 3 262.353 2.805 20 30 CFEDHN CC(C)(C)[C@H](Cn1ccnc1)NCc1ccc(C#N)o1 ZINC000135159561 646480339 /nfs/dbraw/zinc/48/03/39/646480339.db2.gz UNSGEVKNNIPVGI-AWEZNQCLSA-N 0 3 272.352 2.552 20 30 CFEDHN C#CCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000135872073 646661507 /nfs/dbraw/zinc/66/15/07/646661507.db2.gz WOTXTLVEYXGYAA-YJBOKZPZSA-N 0 3 285.435 2.556 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)Cc2ccccc2C)CC1 ZINC001006389246 646740748 /nfs/dbraw/zinc/74/07/48/646740748.db2.gz UIAVLHGOGHNERA-UHFFFAOYSA-N 0 3 286.419 2.646 20 30 CFEDHN N#Cc1ccnc(N2CCN(CC[C@@H]3C[C@H]3C3CC3)CC2)c1 ZINC000885956149 646782550 /nfs/dbraw/zinc/78/25/50/646782550.db2.gz KLXANNOWVNBCJW-SJORKVTESA-N 0 3 296.418 2.511 20 30 CFEDHN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccccn2)CCC1 ZINC000886036207 646833799 /nfs/dbraw/zinc/83/37/99/646833799.db2.gz WBCDTRNPKMGSJP-ZBFHGGJFSA-N 0 3 285.391 2.663 20 30 CFEDHN C=CCOc1ccc(CN[C@]23C[C@H]2COC3)cc1Cl ZINC000886202023 646918088 /nfs/dbraw/zinc/91/80/88/646918088.db2.gz ZRIOPQIKWVFXSU-WFASDCNBSA-N 0 3 279.767 2.783 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000886356145 646984601 /nfs/dbraw/zinc/98/46/01/646984601.db2.gz USRSGNPIPWZCEU-IXDOHACOSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000886364399 646988770 /nfs/dbraw/zinc/98/87/70/646988770.db2.gz YJTJZGFKYLVYRF-NSHDSACASA-N 0 3 262.284 2.579 20 30 CFEDHN C=CCN1CCN(CC=C)[C@@H](Cc2ccccc2)C1 ZINC000886381438 646993081 /nfs/dbraw/zinc/99/30/81/646993081.db2.gz CKLUGHIKCLKMOF-KRWDZBQOSA-N 0 3 256.393 2.587 20 30 CFEDHN C#CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C1CCN(C)CC1 ZINC000886577511 647052306 /nfs/dbraw/zinc/05/23/06/647052306.db2.gz KZRNJMNMQQMMCF-RDJZCZTQSA-N 0 3 290.451 2.759 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](c3ncccn3)C2)c1 ZINC000886674183 647104187 /nfs/dbraw/zinc/10/41/87/647104187.db2.gz HROBYAQLNJDMMQ-INIZCTEOSA-N 0 3 278.359 2.728 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c1F ZINC000886821266 647152523 /nfs/dbraw/zinc/15/25/23/647152523.db2.gz AOLMGCSBIWPKNW-ZFWWWQNUSA-N 0 3 274.339 2.698 20 30 CFEDHN CC[C@H](NCC(=O)NCCC#N)c1cccc2ccccc21 ZINC000886917711 647174610 /nfs/dbraw/zinc/17/46/10/647174610.db2.gz ISJBIBPVQMOOTO-KRWDZBQOSA-N 0 3 295.386 2.910 20 30 CFEDHN C#CCC1(NCC#Cc2ccccc2Cl)CCOCC1 ZINC000887120303 647218043 /nfs/dbraw/zinc/21/80/43/647218043.db2.gz BITUDKSADMGPIY-UHFFFAOYSA-N 0 3 287.790 2.854 20 30 CFEDHN CC(C)CNC(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000890360374 647786514 /nfs/dbraw/zinc/78/65/14/647786514.db2.gz NWDMKDCSBBCAOE-UHFFFAOYSA-N 0 3 299.418 2.542 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NC[C@H](O)c1c(F)cccc1F ZINC000925457286 648174168 /nfs/dbraw/zinc/17/41/68/648174168.db2.gz RTXMXXWRFNWENI-MFKMUULPSA-N 0 3 282.334 2.916 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H](CO)c1ccsc1 ZINC000926198178 648430976 /nfs/dbraw/zinc/43/09/76/648430976.db2.gz JHAWRTTYVBYPBR-JQWIXIFHSA-N 0 3 252.383 2.699 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccnn1C1CCC1 ZINC000926347309 648468970 /nfs/dbraw/zinc/46/89/70/648468970.db2.gz YULAHNHCPRXTIZ-GFCCVEGCSA-N 0 3 258.369 2.953 20 30 CFEDHN COc1cc([C@H](C)NCC2CCC(C#N)CC2)on1 ZINC000926356601 648470487 /nfs/dbraw/zinc/47/04/87/648470487.db2.gz NJNFYDIWLFDFBU-UNXYVOJBSA-N 0 3 263.341 2.664 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H]1CCc2c1nccc2Cl ZINC000926546897 648527823 /nfs/dbraw/zinc/52/78/23/648527823.db2.gz YOXNKGWKQJQZHM-ZWNOBZJWSA-N 0 3 266.772 2.639 20 30 CFEDHN C=CCCC1(CN[C@H](C)c2cnn(C)n2)CCCC1 ZINC000926683123 648574686 /nfs/dbraw/zinc/57/46/86/648574686.db2.gz LAJOTXVFUPCTMU-CYBMUJFWSA-N 0 3 262.401 2.992 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1c(C2CC2)cnn1C ZINC000926703445 648582554 /nfs/dbraw/zinc/58/25/54/648582554.db2.gz UAVQGCXPMDGAJQ-LLVKDONJSA-N 0 3 260.385 2.715 20 30 CFEDHN Cc1ccc([C@@H](C)NCCNc2ccc(C#N)cn2)o1 ZINC000927169613 648735206 /nfs/dbraw/zinc/73/52/06/648735206.db2.gz QREFKONFMJJIGX-GFCCVEGCSA-N 0 3 270.336 2.617 20 30 CFEDHN CC(C)[C@H](NC[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000929205202 649002127 /nfs/dbraw/zinc/00/21/27/649002127.db2.gz QNHNIFYKYSQTRA-KGLIPLIRSA-N 0 3 266.772 2.901 20 30 CFEDHN C=CCN(CCc1nnc(C)o1)Cc1ccc(OC)cc1 ZINC000929316614 649030485 /nfs/dbraw/zinc/03/04/85/649030485.db2.gz HSZZYQBHRZIAHJ-UHFFFAOYSA-N 0 3 287.363 2.617 20 30 CFEDHN C=C[C@H](CC)CC(=O)NCc1ccccc1CN(C)C ZINC000929419431 649046898 /nfs/dbraw/zinc/04/68/98/649046898.db2.gz XVTWNHCZWGCJRA-CQSZACIVSA-N 0 3 274.408 2.967 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000929526933 649066917 /nfs/dbraw/zinc/06/69/17/649066917.db2.gz XULFXDUEBGRVKR-DOTOQJQBSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CC1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000929619765 649079815 /nfs/dbraw/zinc/07/98/15/649079815.db2.gz XDOOVLDZTFDYLP-SNVBAGLBSA-N 0 3 287.272 2.833 20 30 CFEDHN CO[C@]1(C)C[C@@H](N(C)Cc2cncc(C#N)c2)C1(C)C ZINC000929756336 649113209 /nfs/dbraw/zinc/11/32/09/649113209.db2.gz FANWHEAEQRDISA-GDBMZVCRSA-N 0 3 273.380 2.589 20 30 CFEDHN N#CC1(CCCCN(CCO)Cc2cccnc2)CCC1 ZINC000929839637 649135987 /nfs/dbraw/zinc/13/59/87/649135987.db2.gz AKHUYOLRSNDYBN-UHFFFAOYSA-N 0 3 287.407 2.740 20 30 CFEDHN CCCN(Cc1cncc(C#N)c1)C[C@H]1CCCCO1 ZINC000929968484 649157737 /nfs/dbraw/zinc/15/77/37/649157737.db2.gz QGQBCBNKBNRETF-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN CC[C@@](O)(CN[C@@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000930215153 649207899 /nfs/dbraw/zinc/20/78/99/649207899.db2.gz ZTHOYXUQMKAKRV-GXFFZTMASA-N 0 3 286.297 2.912 20 30 CFEDHN N#CC[C@@H](O)CN1CCC(c2ccc(Cl)cc2)CC1 ZINC000930247081 649213624 /nfs/dbraw/zinc/21/36/24/649213624.db2.gz FTSLWPDAMNJQQL-OAHLLOKOSA-N 0 3 278.783 2.794 20 30 CFEDHN CC[C@H](C)N(CC(=O)OC)CC1CCC(C#N)CC1 ZINC000930309656 649227933 /nfs/dbraw/zinc/22/79/33/649227933.db2.gz UJFMBBMTGKLLGD-HSBZDZAISA-N 0 3 266.385 2.590 20 30 CFEDHN CN(Cc1cc(Cl)cc(C#N)c1)CC(C)(C)CO ZINC000930606758 649285476 /nfs/dbraw/zinc/28/54/76/649285476.db2.gz TWDBTBFUBIGWNT-UHFFFAOYSA-N 0 3 266.772 2.662 20 30 CFEDHN CC(=O)C1CCN(Cc2c(C)cc(C#N)cc2C)CC1 ZINC000930625139 649290132 /nfs/dbraw/zinc/29/01/32/649290132.db2.gz FDKQMKFJISMQDF-UHFFFAOYSA-N 0 3 270.376 2.976 20 30 CFEDHN C#CC[C@@H]1CCCN(C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000930817203 649327533 /nfs/dbraw/zinc/32/75/33/649327533.db2.gz SQZGNYBBEILQFO-MNOVXSKESA-N 0 3 299.283 2.670 20 30 CFEDHN CCOC(=O)/C=C\CNC1(c2ccc(C#N)cc2)CCC1 ZINC000930886827 649343489 /nfs/dbraw/zinc/34/34/89/649343489.db2.gz IGDISDICYHZZPD-HYXAFXHYSA-N 0 3 284.359 2.646 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCC2=C(CCC(=O)N2)C1 ZINC000930920480 649350108 /nfs/dbraw/zinc/35/01/08/649350108.db2.gz ZHSDVKYJQOHGGM-UHFFFAOYSA-N 0 3 295.386 2.545 20 30 CFEDHN N#CC[C@@H]1CCCN(CCOC2CCSCC2)C1 ZINC000930925686 649350777 /nfs/dbraw/zinc/35/07/77/649350777.db2.gz VHXWWLLQLONGIH-ZDUSSCGKSA-N 0 3 268.426 2.524 20 30 CFEDHN CCOC(=O)/C=C\CNC(C)(C)c1cccc(C#N)c1 ZINC000930930320 649352446 /nfs/dbraw/zinc/35/24/46/649352446.db2.gz FILKXZYULVAFMD-TWGQIWQCSA-N 0 3 272.348 2.502 20 30 CFEDHN C=CCN(C[C@@](O)(CC)C(F)(F)F)C(C)(C)C ZINC000931016817 649365087 /nfs/dbraw/zinc/36/50/87/649365087.db2.gz INXZPKFPDSWMDS-NSHDSACASA-N 0 3 253.308 2.976 20 30 CFEDHN N#CC1(CCCCN2CCN(CCCF)CC2)CCC1 ZINC000931292991 649402753 /nfs/dbraw/zinc/40/27/53/649402753.db2.gz JNLTVSOHRWZGMS-UHFFFAOYSA-N 0 3 281.419 2.828 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN1CCc2nccc(N)c2C1 ZINC000931515998 649445166 /nfs/dbraw/zinc/44/51/66/649445166.db2.gz FYCREQBGGWKTFZ-UHFFFAOYSA-N 0 3 292.386 2.711 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)o1 ZINC000931909839 649508322 /nfs/dbraw/zinc/50/83/22/649508322.db2.gz ZBUXEEYQYJHZDM-QAPCUYQASA-N 0 3 294.354 2.551 20 30 CFEDHN N#CCCCN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911964 649509055 /nfs/dbraw/zinc/50/90/55/649509055.db2.gz ULLPYORTULLPPI-VIFPVBQESA-N 0 3 250.239 2.657 20 30 CFEDHN Cc1nc([C@H]2CCN(CCCCC(C)(C)C#N)C2)no1 ZINC000931936839 649516005 /nfs/dbraw/zinc/51/60/05/649516005.db2.gz GIWALHJYHMGBQD-ZDUSSCGKSA-N 0 3 276.384 2.887 20 30 CFEDHN CCOC(=O)[C@@H]1[C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C[C@@H]21 ZINC000932062502 649530452 /nfs/dbraw/zinc/53/04/52/649530452.db2.gz JYRYHYOVPTVMTI-VDNDLQMASA-N 0 3 298.386 2.750 20 30 CFEDHN C=CC[C@@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccncc1 ZINC000932885898 649656873 /nfs/dbraw/zinc/65/68/73/649656873.db2.gz FWEGYMYGMCGCQX-CVEARBPZSA-N 0 3 287.407 2.688 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C)cc2F)CCC1 ZINC000933303695 649685960 /nfs/dbraw/zinc/68/59/60/649685960.db2.gz RPMHDZFKPCNXJL-ZDUSSCGKSA-N 0 3 288.366 2.997 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933655410 649711069 /nfs/dbraw/zinc/71/10/69/649711069.db2.gz FVVADTFWKPPRHY-WMZOPIPTSA-N 0 3 285.387 2.864 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933658193 649711445 /nfs/dbraw/zinc/71/14/45/649711445.db2.gz YFFZMEFAPXOUPH-MAUKXSAKSA-N 0 3 298.386 2.855 20 30 CFEDHN CC#CCCN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933713124 649716634 /nfs/dbraw/zinc/71/66/34/649716634.db2.gz NJIHIRRVYRVZSH-NSHDSACASA-N 0 3 283.297 2.698 20 30 CFEDHN C[C@]12CN(C[C@H](C#N)CCC#N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933710107 649716989 /nfs/dbraw/zinc/71/69/89/649716989.db2.gz PTAIYSOHKZFOKD-ARKGTOAJSA-N 0 3 257.381 2.798 20 30 CFEDHN Cc1cccc(CCN(C)Cc2cc(C#N)cs2)n1 ZINC000933770701 649720590 /nfs/dbraw/zinc/72/05/90/649720590.db2.gz LYNNIEIZBGLGLO-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000933854880 649725603 /nfs/dbraw/zinc/72/56/03/649725603.db2.gz NGIRPPZAPZNTTP-XJKSGUPXSA-N 0 3 285.391 2.608 20 30 CFEDHN N#Cc1ccc(CN2CCCSC[C@@H]2C2CC2)o1 ZINC000933911169 649731180 /nfs/dbraw/zinc/73/11/80/649731180.db2.gz 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/nfs/dbraw/zinc/35/17/89/776351789.db2.gz LMFHBBALDNJGAV-IJLUTSLNSA-N 0 3 276.783 2.504 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)C(C)C ZINC001228061859 776381270 /nfs/dbraw/zinc/38/12/70/776381270.db2.gz VDYHNYQOISKZNN-UPJWGTAASA-N 0 3 290.810 2.750 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001027630378 776387842 /nfs/dbraw/zinc/38/78/42/776387842.db2.gz YUKPPIIVZPARDJ-HNNXBMFYSA-N 0 3 278.440 2.759 20 30 CFEDHN CCN1CCC[C@H](Oc2cc(F)c(C#N)c(F)c2)C1 ZINC001228222795 776426014 /nfs/dbraw/zinc/42/60/14/776426014.db2.gz FKMRFFGGBSZQOS-JTQLQIEISA-N 0 3 266.291 2.700 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccccc1C ZINC001027730539 776431671 /nfs/dbraw/zinc/43/16/71/776431671.db2.gz SSSOXLHXDMVFDS-HNNXBMFYSA-N 0 3 272.392 2.765 20 30 CFEDHN CC(=O)/C=C\c1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001228495326 776505989 /nfs/dbraw/zinc/50/59/89/776505989.db2.gz AVIOFFIMGSCMLT-KYVUIXNKSA-N 0 3 271.360 2.762 20 30 CFEDHN CCCc1cc(C)nc(O[C@@H]2CCN(CC)C2)c1C#N ZINC001228600050 776535532 /nfs/dbraw/zinc/53/55/32/776535532.db2.gz URNWZRLRYXYFTA-CQSZACIVSA-N 0 3 273.380 2.687 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028053675 776573343 /nfs/dbraw/zinc/57/33/43/776573343.db2.gz HVVXIXFENCTSNF-OAHLLOKOSA-N 0 3 297.402 2.857 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028067891 776582365 /nfs/dbraw/zinc/58/23/65/776582365.db2.gz FEBJNIXITKTDFC-HNNXBMFYSA-N 0 3 297.402 2.857 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001028098776 776620067 /nfs/dbraw/zinc/62/00/67/776620067.db2.gz DUDMHFDAJGAZNA-CQSZACIVSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001028104696 776624583 /nfs/dbraw/zinc/62/45/83/776624583.db2.gz GCZFXMWHWWTKFY-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123258 776642106 /nfs/dbraw/zinc/64/21/06/776642106.db2.gz PMVSRVGYGPNDHJ-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028122547 776642349 /nfs/dbraw/zinc/64/23/49/776642349.db2.gz IZBWJAJTTFKFBI-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@@H](Oc1ccc2c(c1)CCN(C)C2)[C@H](C)S ZINC001228945014 776665703 /nfs/dbraw/zinc/66/57/03/776665703.db2.gz RMYLWXGLFUPMSX-MNOVXSKESA-N 0 3 251.395 2.760 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001028159688 776670743 /nfs/dbraw/zinc/67/07/43/776670743.db2.gz WFBHJUOCFIHWJO-MRXNPFEDSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001028162604 776673069 /nfs/dbraw/zinc/67/30/69/776673069.db2.gz JTSFPKBXIXGJNO-CYBMUJFWSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001028162788 776673095 /nfs/dbraw/zinc/67/30/95/776673095.db2.gz LTHOYKYFBWVUMG-BZUAXINKSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001268237212 776714276 /nfs/dbraw/zinc/71/42/76/776714276.db2.gz LHAWTXDWUIAYSQ-UONOGXRCSA-N 0 3 266.429 2.635 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)C2CC2)C1 ZINC001268236334 776714578 /nfs/dbraw/zinc/71/45/78/776714578.db2.gz FPOPLZXDCIDGIH-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1cccnc1C(F)F ZINC001268241728 776718311 /nfs/dbraw/zinc/71/83/11/776718311.db2.gz DADADNHMHSDSAW-UHFFFAOYSA-N 0 3 297.349 2.599 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)[C@H](C)CC ZINC001268252540 776722611 /nfs/dbraw/zinc/72/26/11/776722611.db2.gz UIOGHSVATLIKDL-KGLIPLIRSA-N 0 3 254.418 2.635 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)CCC ZINC001268350875 776759346 /nfs/dbraw/zinc/75/93/46/776759346.db2.gz RFPZNKCFSMJCOB-ZYHUDNBSSA-N 0 3 260.809 2.660 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028265804 776774239 /nfs/dbraw/zinc/77/42/39/776774239.db2.gz KJULEAJPMAAZEE-OAHLLOKOSA-N 0 3 289.423 2.593 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028271483 776778206 /nfs/dbraw/zinc/77/82/06/776778206.db2.gz HECHCWOXDVCKAD-IXDOHACOSA-N 0 3 284.403 2.557 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)CCCC(C)C)CC1 ZINC001229337538 776783424 /nfs/dbraw/zinc/78/34/24/776783424.db2.gz RXZIDJFGMPSQPF-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)C1(C)CC=CC1 ZINC001268397520 776784308 /nfs/dbraw/zinc/78/43/08/776784308.db2.gz QQULSVJARJGNEX-LBPRGKRZSA-N 0 3 270.804 2.580 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028275442 776785817 /nfs/dbraw/zinc/78/58/17/776785817.db2.gz ZHPXRSYURKCEQK-BZUAXINKSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](F)c1ccccc1 ZINC001268405372 776789126 /nfs/dbraw/zinc/78/91/26/776789126.db2.gz PLLOHZAPNVAVFC-GXTWGEPZSA-N 0 3 298.789 2.934 20 30 CFEDHN CC#CCNCCN(CC)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001268452519 776837887 /nfs/dbraw/zinc/83/78/87/776837887.db2.gz JYRBYHJPOFTHDH-MRXNPFEDSA-N 0 3 276.424 2.584 20 30 CFEDHN CN1CCC[C@H](Oc2ccc(N=C3C=CC(=O)C=C3)cc2)C1 ZINC001229696157 776874841 /nfs/dbraw/zinc/87/48/41/776874841.db2.gz JYZOFTBODDAIHA-SFHVURJKSA-N 0 3 296.370 2.927 20 30 CFEDHN N#CC1(c2ccc(O[C@@H]3CN4CCC3CC4)cc2)CC1 ZINC001229945017 776921326 /nfs/dbraw/zinc/92/13/26/776921326.db2.gz SREUZGQIPFDLMB-MRXNPFEDSA-N 0 3 268.360 2.715 20 30 CFEDHN CC#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(C)C ZINC001277436644 776931366 /nfs/dbraw/zinc/93/13/66/776931366.db2.gz SVDRVRVAVWYCDV-IYBDPMFKSA-N 0 3 276.424 2.654 20 30 CFEDHN C#C[C@@H](Oc1ccc2[nH]c(N)nc2c1)c1ccccc1 ZINC001230516155 777002025 /nfs/dbraw/zinc/00/20/25/777002025.db2.gz OSAJDKNJVQQOGP-OAHLLOKOSA-N 0 3 263.300 2.898 20 30 CFEDHN C#C[C@H](Oc1ccc2[nH]c(N)nc2c1)c1ccccc1 ZINC001230516146 777002861 /nfs/dbraw/zinc/00/28/61/777002861.db2.gz OSAJDKNJVQQOGP-HNNXBMFYSA-N 0 3 263.300 2.898 20 30 CFEDHN N#C[C@H](Oc1ccc2[nH]c(N)nc2c1)c1ccccc1F ZINC001230519106 777003256 /nfs/dbraw/zinc/00/32/56/777003256.db2.gz YBTBYZPCNVFEFE-AWEZNQCLSA-N 0 3 282.278 2.928 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)[C@H](C=C)c1ccccc1 ZINC001268756525 777045612 /nfs/dbraw/zinc/04/56/12/777045612.db2.gz KLIKPWDIZLQESF-GOEBONIOSA-N 0 3 272.392 2.579 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001268760286 777047988 /nfs/dbraw/zinc/04/79/88/777047988.db2.gz UHBLAVQSHZSYDR-AWEZNQCLSA-N 0 3 297.402 2.918 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001230734529 777053547 /nfs/dbraw/zinc/05/35/47/777053547.db2.gz FPMLUIPUIIITDM-HOTGVXAUSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230812263 777070237 /nfs/dbraw/zinc/07/02/37/777070237.db2.gz VGIMQYFYFOLTAI-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)[C@H]1CC12CCCC2 ZINC001268902522 777071822 /nfs/dbraw/zinc/07/18/22/777071822.db2.gz LQBYLWYMZVOGGK-CYBMUJFWSA-N 0 3 284.831 2.757 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834960 777074058 /nfs/dbraw/zinc/07/40/58/777074058.db2.gz QIEPPCAAQYOLMP-HNNXBMFYSA-N 0 3 266.429 2.922 20 30 CFEDHN CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)CCS ZINC001268959843 777079881 /nfs/dbraw/zinc/07/98/81/777079881.db2.gz NDBLUFQMPFZUAQ-SOUVJXGZSA-N 0 3 298.496 2.808 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](CNC[C@H](F)CC)C1CC1 ZINC001269098786 777101522 /nfs/dbraw/zinc/10/15/22/777101522.db2.gz ATQBVCFEORDNIF-KGLIPLIRSA-N 0 3 284.419 2.821 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)CCCCc2ccccc2)C1 ZINC001269159673 777125088 /nfs/dbraw/zinc/12/50/88/777125088.db2.gz QLWVUPOBYKOFJO-GOSISDBHSA-N 0 3 298.430 2.613 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CCC(C)C ZINC001231061347 777128038 /nfs/dbraw/zinc/12/80/38/777128038.db2.gz KBWMGSKGNNDADX-JKSUJKDBSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001269239757 777147223 /nfs/dbraw/zinc/14/72/23/777147223.db2.gz DRWANYYLIUQFKL-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001269254587 777152576 /nfs/dbraw/zinc/15/25/76/777152576.db2.gz BYZRDTWBDLFMMS-UKRRQHHQSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001269279241 777156831 /nfs/dbraw/zinc/15/68/31/777156831.db2.gz XOLICZMPQHHUCY-DZGCQCFKSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN1CCCC ZINC001269278769 777157404 /nfs/dbraw/zinc/15/74/04/777157404.db2.gz PDDIHMCQUWRJID-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CC/C=C/CC ZINC001231169351 777163406 /nfs/dbraw/zinc/16/34/06/777163406.db2.gz GTAHFAHHLDQQAM-PMGBHYCQSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001269330844 777173030 /nfs/dbraw/zinc/17/30/30/777173030.db2.gz FSXFQJATLVBHAM-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001269348321 777175654 /nfs/dbraw/zinc/17/56/54/777175654.db2.gz JPTTYWALYFRTPN-HUUCEWRRSA-N 0 3 290.407 2.882 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)CCCC(C)C)C1 ZINC001269344575 777176002 /nfs/dbraw/zinc/17/60/02/777176002.db2.gz DNWMQXLVZJROOP-OAHLLOKOSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231261811 777177592 /nfs/dbraw/zinc/17/75/92/777177592.db2.gz ATJSSYRLJPJIKH-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231313101 777189504 /nfs/dbraw/zinc/18/95/04/777189504.db2.gz VLJNHYHKQASBDL-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C#CCNC1(CNC(=O)c2cc(C3CC3)oc2C2CC2)CC1 ZINC001269456230 777192877 /nfs/dbraw/zinc/19/28/77/777192877.db2.gz RGLRHJZUWIWKBD-UHFFFAOYSA-N 0 3 298.386 2.520 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)CCc1cccnc1 ZINC001231620322 777280280 /nfs/dbraw/zinc/28/02/80/777280280.db2.gz VPKURMFOIBUSLK-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN C#Cc1cccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001231659441 777298308 /nfs/dbraw/zinc/29/83/08/777298308.db2.gz LROBFTIBVUQMDD-MRXNPFEDSA-N 0 3 285.387 2.832 20 30 CFEDHN COc1ccc(CN2CCC(S)CC2)cc1OC(C)=O ZINC001231707569 777313491 /nfs/dbraw/zinc/31/34/91/777313491.db2.gz JFBURKYQILPMNK-UHFFFAOYSA-N 0 3 295.404 2.515 20 30 CFEDHN CC[C@H](C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001270171738 777322799 /nfs/dbraw/zinc/32/27/99/777322799.db2.gz NRZDVDFNYLQWBC-FUHWJXTLSA-N 0 3 298.430 2.665 20 30 CFEDHN C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001270172352 777323972 /nfs/dbraw/zinc/32/39/72/777323972.db2.gz YEQKBWPXPJSFBQ-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1cncs1 ZINC001270259451 777342304 /nfs/dbraw/zinc/34/23/04/777342304.db2.gz PTACBOMEWJJKRT-CYBMUJFWSA-N 0 3 293.436 2.580 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001028972571 777351160 /nfs/dbraw/zinc/35/11/60/777351160.db2.gz NAYPMTSYLNPZMC-CQSZACIVSA-N 0 3 296.370 2.508 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001029005862 777373128 /nfs/dbraw/zinc/37/31/28/777373128.db2.gz MWKLDZFDGZKUPI-HZPDHXFCSA-N 0 3 298.430 2.885 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)[C@H](C)Cc2ccccc2)C1 ZINC001270658937 777444774 /nfs/dbraw/zinc/44/47/74/777444774.db2.gz RMVJJDATHOKDOD-CRAIPNDOSA-N 0 3 286.419 2.632 20 30 CFEDHN CN(Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCCOC1 ZINC001232117881 777445674 /nfs/dbraw/zinc/44/56/74/777445674.db2.gz GIVGVTHBTVZARF-CYBMUJFWSA-N 0 3 264.756 2.822 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)[C@H](CC)SC)C(C)(C)C1 ZINC001281547028 777488219 /nfs/dbraw/zinc/48/82/19/777488219.db2.gz PFRROAKFFCQVEJ-QWHCGFSZSA-N 0 3 284.469 2.531 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087487822 777498370 /nfs/dbraw/zinc/49/83/70/777498370.db2.gz YXFCBDCQSRFAOF-LSDHHAIUSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087492464 777506155 /nfs/dbraw/zinc/50/61/55/777506155.db2.gz AOZPYLJDDPZFNT-QWHCGFSZSA-N 0 3 264.394 2.517 20 30 CFEDHN COc1ccc([C@H]2CCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001232480041 777576258 /nfs/dbraw/zinc/57/62/58/777576258.db2.gz GQKMRHSHLQMRQC-INIZCTEOSA-N 0 3 293.370 2.951 20 30 CFEDHN C=CCN(C)Cc1cccc(Br)c1N ZINC001232525979 777593062 /nfs/dbraw/zinc/59/30/62/777593062.db2.gz WLDGNHHZJWIDHY-UHFFFAOYSA-N 0 3 255.159 2.649 20 30 CFEDHN O=C1C=C2CN(Cc3nc4ccccc4o3)CCC2S1 ZINC001232555645 777603322 /nfs/dbraw/zinc/60/33/22/777603322.db2.gz BWDLRUBZMOOEOQ-CYBMUJFWSA-N 0 3 286.356 2.602 20 30 CFEDHN C#CCN1CCC(C)(CNC(=O)CC(CC)CC)CC1 ZINC001270919296 777603569 /nfs/dbraw/zinc/60/35/69/777603569.db2.gz JMTKOZUUQCRMMW-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN CN1CCC[C@H](Oc2ccc(Br)c(C#N)c2)C1 ZINC001226730052 777626626 /nfs/dbraw/zinc/62/66/26/777626626.db2.gz VPCKQPUKDKYDDE-LBPRGKRZSA-N 0 3 295.180 2.794 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001038103028 777645022 /nfs/dbraw/zinc/64/50/22/777645022.db2.gz GPYRHXYQPWGADR-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1CC ZINC001087579339 777661775 /nfs/dbraw/zinc/66/17/75/777661775.db2.gz VVMFYALKBKEIMR-BPKGMFCQSA-N 0 3 288.435 2.744 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1CC ZINC001087625022 777669403 /nfs/dbraw/zinc/66/94/03/777669403.db2.gz LYBHOGRDSSLTOY-KRIMKBQASA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1CC ZINC001087643526 777671151 /nfs/dbraw/zinc/67/11/51/777671151.db2.gz YLDKUFHVZDSDFW-DOTOQJQBSA-N 0 3 299.418 2.728 20 30 CFEDHN COc1cc(CN2CCC(S)CC2)c(OC)cc1C ZINC001232836479 777687664 /nfs/dbraw/zinc/68/76/64/777687664.db2.gz MZYWYRBQNWXWSD-UHFFFAOYSA-N 0 3 281.421 2.906 20 30 CFEDHN CC1(C#N)CCN(Cc2c[nH]c3ccc(O)cc23)CC1 ZINC001232871599 777700165 /nfs/dbraw/zinc/70/01/65/777700165.db2.gz NAUDWPANCXMWFL-UHFFFAOYSA-N 0 3 269.348 2.999 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC ZINC001029421612 777700627 /nfs/dbraw/zinc/70/06/27/777700627.db2.gz GKLPHZWGROKDPS-OKILXGFUSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCN1CCN(Cc2ccccc2-n2cccc2)CC1 ZINC001232910733 777718208 /nfs/dbraw/zinc/71/82/08/777718208.db2.gz YLZPHTPHQDHISW-UHFFFAOYSA-N 0 3 281.403 2.781 20 30 CFEDHN Cc1ccc(CN2CC[C@H](C)[C@](C)(O)CC2)c(C#N)c1 ZINC001232962994 777741793 /nfs/dbraw/zinc/74/17/93/777741793.db2.gz WSXLLWXVFIOFPE-WMLDXEAASA-N 0 3 272.392 2.850 20 30 CFEDHN CCN(Cc1ccc(N(C)C)c(C#N)c1F)C(C)C ZINC001233096606 777795157 /nfs/dbraw/zinc/79/51/57/777795157.db2.gz IUFXTBVILLJMHL-UHFFFAOYSA-N 0 3 263.360 2.994 20 30 CFEDHN C=CCN[C@H](CNC(=O)[C@@H]1CC12CC2)c1ccccc1CC ZINC001271446371 777858712 /nfs/dbraw/zinc/85/87/12/777858712.db2.gz LCOJGALFFOSCFB-DLBZAZTESA-N 0 3 298.430 2.982 20 30 CFEDHN Nc1cccc(CN2CCC(C#Cc3ccccc3)CC2)n1 ZINC001233372931 777916720 /nfs/dbraw/zinc/91/67/20/777916720.db2.gz LWUFPANRXULRFU-UHFFFAOYSA-N 0 3 291.398 2.928 20 30 CFEDHN C#CCNCCN(Cc1ccccc1)C(=O)CC(C)(C)C ZINC001271796579 777976700 /nfs/dbraw/zinc/97/67/00/777976700.db2.gz DXELGJHFAXHPRR-UHFFFAOYSA-N 0 3 286.419 2.674 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001088359772 778033492 /nfs/dbraw/zinc/03/34/92/778033492.db2.gz HAOYDFFAMJPYAP-MRVWCRGKSA-N 0 3 284.831 2.756 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233682858 778037247 /nfs/dbraw/zinc/03/72/47/778037247.db2.gz JXWRNMGESIPEPI-AWEZNQCLSA-N 0 3 280.387 2.893 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001233802498 778081556 /nfs/dbraw/zinc/08/15/56/778081556.db2.gz GTJYAFAASXOVGE-VIKWHGAVSA-N 0 3 292.379 2.755 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)CCCC ZINC001272005553 778107836 /nfs/dbraw/zinc/10/78/36/778107836.db2.gz TYHMDGZHJFAYOE-CQSZACIVSA-N 0 3 254.418 2.779 20 30 CFEDHN N#Cc1cc(O[C@H]2CN3CCC2CC3)ccc1Cl ZINC001233922276 778114108 /nfs/dbraw/zinc/11/41/08/778114108.db2.gz CAWJMSPMPWRFKS-AWEZNQCLSA-N 0 3 262.740 2.685 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC001088451234 778118389 /nfs/dbraw/zinc/11/83/89/778118389.db2.gz BSFCOCMYIGKLHQ-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN CCC/C=C\CCN1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234178997 778181606 /nfs/dbraw/zinc/18/16/06/778181606.db2.gz RHRDTRPRTMGDCN-OSJSJHBBSA-N 0 3 288.435 2.679 20 30 CFEDHN CCN1CC[C@@H](Oc2ccc(/C=C/C(C)=O)cc2OC)C1 ZINC001234334292 778210630 /nfs/dbraw/zinc/21/06/30/778210630.db2.gz GDDRGKIUCNMKMI-LLYBFZRZSA-N 0 3 289.375 2.770 20 30 CFEDHN COc1cc(/C=C/C(C)=O)ccc1OC1CCN(C)CC1 ZINC001234334835 778210692 /nfs/dbraw/zinc/21/06/92/778210692.db2.gz IDDJTSHLKOZLMV-SNAWJCMRSA-N 0 3 289.375 2.770 20 30 CFEDHN C#C[C@@H]1CCC[C@@H]1Oc1cccc2c1CCN(C)C2 ZINC001234422674 778223512 /nfs/dbraw/zinc/22/35/12/778223512.db2.gz IVRULGCTLWSTDC-CJNGLKHVSA-N 0 3 255.361 2.855 20 30 CFEDHN C#CCN1CCN([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC001168190493 778233775 /nfs/dbraw/zinc/23/37/75/778233775.db2.gz ZLGICXRBGONXES-CQSZACIVSA-N 0 3 276.811 2.522 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1CCC ZINC001234510106 778239606 /nfs/dbraw/zinc/23/96/06/778239606.db2.gz UPBMLPGGXQMYCO-OAHLLOKOSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1C ZINC001088580573 778301931 /nfs/dbraw/zinc/30/19/31/778301931.db2.gz TUYAGHFECKMNME-UUAJXVIYSA-N 0 3 288.435 2.744 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001272132121 778361124 /nfs/dbraw/zinc/36/11/24/778361124.db2.gz VNWOAQKUCADSMK-LSDHHAIUSA-N 0 3 280.456 2.718 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001272138107 778362025 /nfs/dbraw/zinc/36/20/25/778362025.db2.gz QBAUHJPRZJEASM-QGZVFWFLSA-N 0 3 298.430 2.520 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1ccc(Cl)cc1 ZINC001272158444 778364543 /nfs/dbraw/zinc/36/45/43/778364543.db2.gz KWCIOPJZVVJWRL-UHFFFAOYSA-N 0 3 280.799 2.920 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCC3)[C@@H]2C1 ZINC001075933986 778375873 /nfs/dbraw/zinc/37/58/73/778375873.db2.gz BXAVIRDOOXREJA-CWRNSKLLSA-N 0 3 276.424 2.531 20 30 CFEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000127864968 778411463 /nfs/dbraw/zinc/41/14/63/778411463.db2.gz JOZJFLRMWAOCMI-CQSZACIVSA-N 0 3 282.299 2.858 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCC2CC2)CCC1 ZINC001235208855 778415270 /nfs/dbraw/zinc/41/52/70/778415270.db2.gz HGBKNLQGWGWEFZ-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@H]2CCN2CCCC=C)CCC1 ZINC001235223265 778420701 /nfs/dbraw/zinc/42/07/01/778420701.db2.gz AXXVPDFEGUBGAN-MRXNPFEDSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@H](OCC)C(C)C ZINC001235279635 778441824 /nfs/dbraw/zinc/44/18/24/778441824.db2.gz FHQSGCWYHUPEJS-HOTGVXAUSA-N 0 3 296.455 2.546 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)CC/C=C/c1ccccc1 ZINC001277938021 778459135 /nfs/dbraw/zinc/45/91/35/778459135.db2.gz NBVZXFROEAJGQW-JZUUQJBKSA-N 0 3 298.430 2.940 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)[C@H]1C ZINC001088746260 778462935 /nfs/dbraw/zinc/46/29/35/778462935.db2.gz TVLUDGUNIFKSLT-JLSDUUJJSA-N 0 3 298.430 2.945 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764286 778482194 /nfs/dbraw/zinc/48/21/94/778482194.db2.gz UNIZHRZKRDNKKA-LJIZCISZSA-N 0 3 276.424 2.578 20 30 CFEDHN CC#CCO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001224357977 778483877 /nfs/dbraw/zinc/48/38/77/778483877.db2.gz BSHJPAVAMWGNPS-LSDHHAIUSA-N 0 3 258.365 2.647 20 30 CFEDHN CCC(=O)N(C)C1CCN(Cc2ccccc2CC#N)CC1 ZINC001235529292 778513417 /nfs/dbraw/zinc/51/34/17/778513417.db2.gz YEIQFMGUPNIHGJ-UHFFFAOYSA-N 0 3 299.418 2.585 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088813556 778519599 /nfs/dbraw/zinc/51/95/99/778519599.db2.gz ZFYPNMAUZWKAOG-HIFRSBDPSA-N 0 3 278.440 2.968 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC001088822463 778534855 /nfs/dbraw/zinc/53/48/55/778534855.db2.gz UTXCBXFSPKAZLL-DOMZBBRYSA-N 0 3 287.407 2.661 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235762320 778553685 /nfs/dbraw/zinc/55/36/85/778553685.db2.gz UIYQRSXQWHEIIK-ZBFHGGJFSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC3(C)C)[C@@H]2C1 ZINC001076147694 778572921 /nfs/dbraw/zinc/57/29/21/778572921.db2.gz RDWJHBJIXKWBMK-SOUVJXGZSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCCSCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000696073790 778829377 /nfs/dbraw/zinc/82/93/77/778829377.db2.gz WFISROIMELIPLN-UHFFFAOYSA-N 0 3 255.358 2.930 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC001088882125 778933936 /nfs/dbraw/zinc/93/39/36/778933936.db2.gz ZQJSIFYOBIHQOI-YPMHNXCESA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)[C@H]1C ZINC001088883049 778934054 /nfs/dbraw/zinc/93/40/54/778934054.db2.gz VQIZJSORVRJQRV-OLMNPRSZSA-N 0 3 298.430 2.557 20 30 CFEDHN C#C[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236811367 778948018 /nfs/dbraw/zinc/94/80/18/778948018.db2.gz RQQVJLDKAGWMQV-ZDUSSCGKSA-N 0 3 259.349 2.554 20 30 CFEDHN C#C[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2[O-])C1 ZINC001236811367 778948021 /nfs/dbraw/zinc/94/80/21/778948021.db2.gz RQQVJLDKAGWMQV-ZDUSSCGKSA-N 0 3 259.349 2.554 20 30 CFEDHN C(#Cc1ccccc1)c1ccc(CN2CCNC2)s1 ZINC001236850849 778964446 /nfs/dbraw/zinc/96/44/46/778964446.db2.gz PEDNRLUVNIDITO-UHFFFAOYSA-N 0 3 268.385 2.511 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncccc2Cl)[C@H]1C ZINC001088993083 778967910 /nfs/dbraw/zinc/96/79/10/778967910.db2.gz OISDUHVDMKQMPO-YPMHNXCESA-N 0 3 293.798 2.504 20 30 CFEDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001237043156 778995765 /nfs/dbraw/zinc/99/57/65/778995765.db2.gz LXXHWDZHBJERQU-CYBMUJFWSA-N 0 3 274.364 2.917 20 30 CFEDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c([O-])c1 ZINC001237043156 778995772 /nfs/dbraw/zinc/99/57/72/778995772.db2.gz LXXHWDZHBJERQU-CYBMUJFWSA-N 0 3 274.364 2.917 20 30 CFEDHN C#CCN(C)CCCN(C)C(=O)C[C@@H](C=C)c1ccccc1 ZINC001280884061 779036449 /nfs/dbraw/zinc/03/64/49/779036449.db2.gz UGQHLYQGYFPAJB-QGZVFWFLSA-N 0 3 298.430 2.760 20 30 CFEDHN CC1(C)CCC2(CCN(Cc3ccnc(C#N)c3)CC2)O1 ZINC001237469501 779115306 /nfs/dbraw/zinc/11/53/06/779115306.db2.gz WIDQLDHLWCDCRG-UHFFFAOYSA-N 0 3 285.391 2.877 20 30 CFEDHN Cc1cc(Br)cc(C#N)c1O[C@@H]1CCN(C)C1 ZINC001234009701 779119706 /nfs/dbraw/zinc/11/97/06/779119706.db2.gz GIMLJTTXRPVFCZ-GFCCVEGCSA-N 0 3 295.180 2.712 20 30 CFEDHN C[C@@H]1CCCCN(Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237609204 779141573 /nfs/dbraw/zinc/14/15/73/779141573.db2.gz ONEQNAVLDYNAQF-CYBMUJFWSA-N 0 3 268.364 2.828 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215581 779159708 /nfs/dbraw/zinc/15/97/08/779159708.db2.gz MYPRVMRNALWBHF-OAHLLOKOSA-N 0 3 276.424 2.535 20 30 CFEDHN CCN1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC001237751976 779174481 /nfs/dbraw/zinc/17/44/81/779174481.db2.gz DGNYDMNNLMRJAU-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)[C@@H]2CC=CCC2)CC(C)(C)C1 ZINC001089311611 779204562 /nfs/dbraw/zinc/20/45/62/779204562.db2.gz CEADVVYZDAGUKR-CVEARBPZSA-N 0 3 288.435 2.583 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000176530924 779217496 /nfs/dbraw/zinc/21/74/96/779217496.db2.gz FGTGXTMQIULIIL-CYBMUJFWSA-N 0 3 256.305 2.690 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C[C@H]2C=CCC2)CC(C)(C)C1 ZINC001089317418 779228486 /nfs/dbraw/zinc/22/84/86/779228486.db2.gz UIMSSDZYHFVMTD-JKSUJKDBSA-N 0 3 288.435 2.583 20 30 CFEDHN C=C(C)CN1CCC2(CCN(Cc3ccco3)CC2)C1=O ZINC001272584497 779235625 /nfs/dbraw/zinc/23/56/25/779235625.db2.gz JKVODXWYSXWPHC-UHFFFAOYSA-N 0 3 288.391 2.670 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234528099 779240604 /nfs/dbraw/zinc/24/06/04/779240604.db2.gz RYHPLJNIWYHZHR-DOTOQJQBSA-N 0 3 276.424 2.842 20 30 CFEDHN CCN(CCC(=O)OC)Cc1ccc(Cl)c(C#N)c1 ZINC001238199050 779278527 /nfs/dbraw/zinc/27/85/27/779278527.db2.gz PJLALSAVGCXAMQ-UHFFFAOYSA-N 0 3 280.755 2.597 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235780110 779378177 /nfs/dbraw/zinc/37/81/77/779378177.db2.gz SAYLTMLMEAWVOV-HOCLYGCPSA-N 0 3 278.440 2.922 20 30 CFEDHN CCc1cc(CN2CCCO[C@@H](C)C2)ccc1C#N ZINC001238766081 779385329 /nfs/dbraw/zinc/38/53/29/779385329.db2.gz IHRKJTDLCDRBRL-ZDUSSCGKSA-N 0 3 258.365 2.731 20 30 CFEDHN CCc1cc(CN2CCCO[C@H](C)C2)ccc1C#N ZINC001238766077 779386069 /nfs/dbraw/zinc/38/60/69/779386069.db2.gz IHRKJTDLCDRBRL-CYBMUJFWSA-N 0 3 258.365 2.731 20 30 CFEDHN CCc1cc(CN2CC[C@H](C(C)=O)C2)ccc1C#N ZINC001238768152 779386293 /nfs/dbraw/zinc/38/62/93/779386293.db2.gz GJWOIIKXQFVOGS-INIZCTEOSA-N 0 3 256.349 2.532 20 30 CFEDHN CCc1cc(CN(C)[C@@H]2CCCN(C(C)=O)C2)ccc1C#N ZINC001238769356 779387058 /nfs/dbraw/zinc/38/70/58/779387058.db2.gz RMBFAPAUKOOYMX-GOSISDBHSA-N 0 3 299.418 2.563 20 30 CFEDHN CCCN1CCN(Cc2ccc(C#N)c(CC)c2)CC1 ZINC001238777857 779390537 /nfs/dbraw/zinc/39/05/37/779390537.db2.gz JGNQCLUMMSAUFB-UHFFFAOYSA-N 0 3 271.408 2.648 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089599986 779538745 /nfs/dbraw/zinc/53/87/45/779538745.db2.gz HFRPBGUCYNGUMO-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001089626527 779546654 /nfs/dbraw/zinc/54/66/54/779546654.db2.gz LDVYYARFGZFPBV-YMAMQOFZSA-N 0 3 278.440 2.825 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccc3sccc3c2)C1 ZINC001032095348 779734891 /nfs/dbraw/zinc/73/48/91/779734891.db2.gz XMTSPWXWJVPMNH-UHFFFAOYSA-N 0 3 298.411 2.586 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038607929 779905634 /nfs/dbraw/zinc/90/56/34/779905634.db2.gz VDZGHGOGKAHMMR-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@H]1CCC[C@H]1CC(=O)NCCNCc1ccc(C#N)cc1 ZINC001127929561 779943833 /nfs/dbraw/zinc/94/38/33/779943833.db2.gz UFCXFLNXTMDIPC-YOEHRIQHSA-N 0 3 299.418 2.590 20 30 CFEDHN CN(C)/C=N/c1ccc(N[C@@H](CO)C(C)(C)C)cc1C#N ZINC001168562416 779971238 /nfs/dbraw/zinc/97/12/38/779971238.db2.gz MQNGKPPNTWCVII-LZNAANCOSA-N 0 3 288.395 2.599 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1CC ZINC001032488084 779980093 /nfs/dbraw/zinc/98/00/93/779980093.db2.gz QKWXQYIDNBLQRK-HOTGVXAUSA-N 0 3 299.418 2.509 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032533871 780017417 /nfs/dbraw/zinc/01/74/17/780017417.db2.gz LNTJBVKHJZFSPL-QEOTZNIISA-N 0 3 288.435 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001032538280 780018926 /nfs/dbraw/zinc/01/89/26/780018926.db2.gz MRAMYTJLHWFCIJ-QUSNUVHPSA-N 0 3 288.435 2.674 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccsc1 ZINC001032622572 780080605 /nfs/dbraw/zinc/08/06/05/780080605.db2.gz RGRBXESRRGPQAU-SNPRPXQTSA-N 0 3 290.432 2.713 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032626109 780082771 /nfs/dbraw/zinc/08/27/71/780082771.db2.gz YIKVNQGWCWDBSY-GJZGRUSLSA-N 0 3 299.418 2.757 20 30 CFEDHN CCC(=O)N[C@@H](C)CCCCNCc1ccccc1C#N ZINC001168616925 780088215 /nfs/dbraw/zinc/08/82/15/780088215.db2.gz GQLUUMOUZCJUOJ-AWEZNQCLSA-N 0 3 287.407 2.733 20 30 CFEDHN C=C[C@H](COC)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC001116620708 780200773 /nfs/dbraw/zinc/20/07/73/780200773.db2.gz MGOXCIMBTUBDQH-DZGCQCFKSA-N 0 3 271.364 2.724 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccccc1 ZINC001032796221 780245886 /nfs/dbraw/zinc/24/58/86/780245886.db2.gz YMFDWKONQMDXET-SZMVWBNQSA-N 0 3 298.430 2.726 20 30 CFEDHN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC(C)C)c1ccccc1 ZINC001032796622 780247374 /nfs/dbraw/zinc/24/73/74/780247374.db2.gz FBHXCVOGIDNWHC-BZSNNMDCSA-N 0 3 298.430 2.897 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2=CCCC2)C12CCC2 ZINC001078589195 780281129 /nfs/dbraw/zinc/28/11/29/780281129.db2.gz NTEPKFQFKYJIGV-KBPBESRZSA-N 0 3 294.826 2.866 20 30 CFEDHN C#CCCCC(=O)N1CCCC[C@@H]1CNC[C@@H](F)CC ZINC001272952274 780360382 /nfs/dbraw/zinc/36/03/82/780360382.db2.gz AGIPQODMDWQEOA-LSDHHAIUSA-N 0 3 282.403 2.509 20 30 CFEDHN CC(C)O[C@@H]1C[C@H](NCC2(C#N)CCC2)C1(C)C ZINC000451490168 780370803 /nfs/dbraw/zinc/37/08/03/780370803.db2.gz DBFGAITZPGMARG-QWHCGFSZSA-N 0 3 250.386 2.862 20 30 CFEDHN C#CCN1CCC[C@H](NC(=O)c2cscc2Cl)CC1 ZINC001052467228 780388012 /nfs/dbraw/zinc/38/80/12/780388012.db2.gz JINIULIBNZKBDR-NSHDSACASA-N 0 3 296.823 2.619 20 30 CFEDHN C=C(C)CCN1CC[C@@H](N(C)C(=O)c2scnc2C)C1 ZINC001032933565 780516666 /nfs/dbraw/zinc/51/66/66/780516666.db2.gz YZJUXQCEYGVSRZ-CYBMUJFWSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CCN1CC[C@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032951737 780518406 /nfs/dbraw/zinc/51/84/06/780518406.db2.gz PSXKSNBRCBVUPG-ZDUSSCGKSA-N 0 3 293.436 2.564 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001033051369 780543961 /nfs/dbraw/zinc/54/39/61/780543961.db2.gz JOEKOEOIDRDDIP-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033103336 780563558 /nfs/dbraw/zinc/56/35/58/780563558.db2.gz OUYNHFSPNVUARO-DLBZAZTESA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccccc32)C1 ZINC001033238102 780627379 /nfs/dbraw/zinc/62/73/79/780627379.db2.gz SLUNHPZYXXHITD-CYBMUJFWSA-N 0 3 283.375 2.500 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001033291948 780641870 /nfs/dbraw/zinc/64/18/70/780641870.db2.gz RFJNKYZGIYXHRJ-JYYAWHABSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001033369836 780667206 /nfs/dbraw/zinc/66/72/06/780667206.db2.gz OATBIJTWNOAQIL-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033386129 780674263 /nfs/dbraw/zinc/67/42/63/780674263.db2.gz ZXSAXWGWEBPCQK-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN CN(Cc1ccc(-c2ccnc(C#N)c2)nc1)C1CC1 ZINC001241187753 780692265 /nfs/dbraw/zinc/69/22/65/780692265.db2.gz DSIRZUXJWOXCBV-UHFFFAOYSA-N 0 3 264.332 2.609 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033588686 780719205 /nfs/dbraw/zinc/71/92/05/780719205.db2.gz HAUZSVJEHFGBLH-FUHWJXTLSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033588605 780719347 /nfs/dbraw/zinc/71/93/47/780719347.db2.gz KQRWAMHQBZQHMS-DOTOQJQBSA-N 0 3 286.419 2.899 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033612908 780722973 /nfs/dbraw/zinc/72/29/73/780722973.db2.gz IUUKXFOQBURABH-SFHVURJKSA-N 0 3 298.430 2.980 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033630487 780735917 /nfs/dbraw/zinc/73/59/17/780735917.db2.gz GLELBPHRDKWQIE-KRWDZBQOSA-N 0 3 286.419 2.971 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001033691281 780754945 /nfs/dbraw/zinc/75/49/45/780754945.db2.gz LNWPWSZJUPRPSV-BHUNQDJPSA-N 0 3 290.451 2.922 20 30 CFEDHN COc1cc(CCC#N)c(C2=CCN(C)CC2)cc1OC ZINC001241322380 780780972 /nfs/dbraw/zinc/78/09/72/780780972.db2.gz MSDJMIKVTNOFLD-UHFFFAOYSA-N 0 3 286.375 2.879 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC2(C)C)C1 ZINC001033794514 780791719 /nfs/dbraw/zinc/79/17/19/780791719.db2.gz HQXOQHYMOMUNIT-ZIAGYGMSSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033797849 780793769 /nfs/dbraw/zinc/79/37/69/780793769.db2.gz HQXOQHYMOMUNIT-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033944844 780839266 /nfs/dbraw/zinc/83/92/66/780839266.db2.gz YUYTVFFITPDBJQ-WMZOPIPTSA-N 0 3 298.430 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033971694 780844074 /nfs/dbraw/zinc/84/40/74/780844074.db2.gz KFWKMMRDJZZMHR-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034055325 780864527 /nfs/dbraw/zinc/86/45/27/780864527.db2.gz RSJDFMRPCZGBRB-GFCCVEGCSA-N 0 3 296.411 3.000 20 30 CFEDHN CN(Cc1ccc(-c2ccc(C#N)nc2)nc1)C1CC1 ZINC001241426017 780872136 /nfs/dbraw/zinc/87/21/36/780872136.db2.gz FRHUWLNKSRRUKX-UHFFFAOYSA-N 0 3 264.332 2.609 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034089717 780885935 /nfs/dbraw/zinc/88/59/35/780885935.db2.gz IOLKGFKUMXSYPW-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C#C[C@H](NCc1cc2c(c(OC)c1)OCO2)C(C)(C)C ZINC000702251458 780899589 /nfs/dbraw/zinc/89/95/89/780899589.db2.gz WYRCMQPPJWZCOM-AWEZNQCLSA-N 0 3 275.348 2.561 20 30 CFEDHN C=CCCN1CCCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127115 780901724 /nfs/dbraw/zinc/90/17/24/780901724.db2.gz HQYNSQYJFYMQSE-ZDUSSCGKSA-N 0 3 293.436 2.612 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001034208447 780923513 /nfs/dbraw/zinc/92/35/13/780923513.db2.gz QOCSXXVQHCSREA-AWEZNQCLSA-N 0 3 290.432 2.664 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034266191 780935746 /nfs/dbraw/zinc/93/57/46/780935746.db2.gz NITVXNKYOQGCIC-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001034293271 780940231 /nfs/dbraw/zinc/94/02/31/780940231.db2.gz MUNSERMGSHCTRY-CQSZACIVSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001034322868 780945876 /nfs/dbraw/zinc/94/58/76/780945876.db2.gz KINBKJKBWJLNNO-ZDUSSCGKSA-N 0 3 299.374 2.598 20 30 CFEDHN N#Cc1ccnc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241501792 780946760 /nfs/dbraw/zinc/94/67/60/780946760.db2.gz UXRRQLIAZQVOEU-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353119 780949048 /nfs/dbraw/zinc/94/90/48/780949048.db2.gz VFQLAPCDPJHCPC-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034352943 780954722 /nfs/dbraw/zinc/95/47/22/780954722.db2.gz FKQPCRQZAOHAQU-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001034361414 780957947 /nfs/dbraw/zinc/95/79/47/780957947.db2.gz ZTWRCSQCRNHVJC-CQSZACIVSA-N 0 3 289.423 2.738 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034408902 780965263 /nfs/dbraw/zinc/96/52/63/780965263.db2.gz OBOKVHRAMHHGSL-OWCLPIDISA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001034429384 780969240 /nfs/dbraw/zinc/96/92/40/780969240.db2.gz VZBHBCKFRRIMEU-KURKYZTESA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001034415059 780971120 /nfs/dbraw/zinc/97/11/20/780971120.db2.gz GXPCTYJDODRZSE-GOSISDBHSA-N 0 3 298.430 2.558 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC001034515667 780989792 /nfs/dbraw/zinc/98/97/92/780989792.db2.gz JQBVTMUJHLJRTO-QGZVFWFLSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001034534662 780994284 /nfs/dbraw/zinc/99/42/84/780994284.db2.gz IQMCMVWWDDANSN-INIZCTEOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)c2cc[nH]c2CCC)CC1 ZINC001045531089 781029212 /nfs/dbraw/zinc/02/92/12/781029212.db2.gz CYBVPEBALIIVQR-UHFFFAOYSA-N 0 3 289.423 2.738 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001045538759 781030336 /nfs/dbraw/zinc/03/03/36/781030336.db2.gz JOLOFMDSHFVFTR-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)c2ccncc2Cl)CC1 ZINC001045570817 781051440 /nfs/dbraw/zinc/05/14/40/781051440.db2.gz VHPBVEVCFQRGQQ-UHFFFAOYSA-N 0 3 293.798 2.505 20 30 CFEDHN [O-]/N=C1/CCc2cc(-c3cnn(C4CC[NH2+]CC4)c3)ccc21 ZINC001241777791 781124520 /nfs/dbraw/zinc/12/45/20/781124520.db2.gz ZRUMBVKKQNJPHE-JZJYNLBNSA-N 0 3 296.374 2.599 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CCCC1)CC2 ZINC001035634456 781149880 /nfs/dbraw/zinc/14/98/80/781149880.db2.gz UWHYAIWDNNRGGG-UHFFFAOYSA-N 0 3 276.424 2.677 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ncccc1C)CC2 ZINC001035680499 781157091 /nfs/dbraw/zinc/15/70/91/781157091.db2.gz MPLMGWQCBVDIKM-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(C)C)CC2 ZINC001035827375 781175392 /nfs/dbraw/zinc/17/53/92/781175392.db2.gz NIYAELXTMRETIX-HOTGVXAUSA-N 0 3 290.451 2.779 20 30 CFEDHN CCC(=O)N1CCC[C@@H]([C@H](C)NCc2ccccc2C#N)C1 ZINC001036335374 781238320 /nfs/dbraw/zinc/23/83/20/781238320.db2.gz VFLRWIBZIWTXBS-WMLDXEAASA-N 0 3 299.418 2.685 20 30 CFEDHN CC[C@@H](CC#N)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711401047 781424120 /nfs/dbraw/zinc/42/41/20/781424120.db2.gz NRRRBEIEBARMTQ-RWMBFGLXSA-N 0 3 281.400 2.572 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001079946465 781626673 /nfs/dbraw/zinc/62/66/73/781626673.db2.gz PQHHQWQRMIWIDA-BZUAXINKSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001080061282 781634264 /nfs/dbraw/zinc/63/42/64/781634264.db2.gz MHYJKDRVFSOCGD-CXAGYDPISA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001080103588 781635468 /nfs/dbraw/zinc/63/54/68/781635468.db2.gz KKWGTKZUBGNVMC-GDBMZVCRSA-N 0 3 297.402 2.566 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001080179627 781639141 /nfs/dbraw/zinc/63/91/41/781639141.db2.gz HTVONSDHVOCSFE-DRRXZNNHSA-N 0 3 290.451 2.825 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001080444354 781661895 /nfs/dbraw/zinc/66/18/95/781661895.db2.gz QRUIODACYJLQPI-IUODEOHRSA-N 0 3 287.407 2.518 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001080520571 781666473 /nfs/dbraw/zinc/66/64/73/781666473.db2.gz LTBZHMMZKOXRFG-BFYDXBDKSA-N 0 3 286.419 2.721 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001080830584 781680128 /nfs/dbraw/zinc/68/01/28/781680128.db2.gz CFHCKYBVSUVNAT-IUODEOHRSA-N 0 3 292.810 2.966 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001081012452 781690067 /nfs/dbraw/zinc/69/00/67/781690067.db2.gz TWUUWULHFFPPPY-RDTXWAMCSA-N 0 3 298.430 2.720 20 30 CFEDHN C#CCN[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1c1ccccc1 ZINC001081089248 781700220 /nfs/dbraw/zinc/70/02/20/781700220.db2.gz FETLIHXFNRTOAM-ZWKOTPCHSA-N 0 3 298.430 2.640 20 30 CFEDHN CCC(=NN[C@H]1CCCSC1)c1ccc(N)cc1 ZINC001119362836 781767141 /nfs/dbraw/zinc/76/71/41/781767141.db2.gz JGHMTOPHPAEDAE-ZDUSSCGKSA-N 0 3 263.410 2.868 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001084163140 781775731 /nfs/dbraw/zinc/77/57/31/781775731.db2.gz KVKUOQUZNPRCPI-HZPDHXFCSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001084320856 781787437 /nfs/dbraw/zinc/78/74/37/781787437.db2.gz ZOLFMMIISTXXHU-HUUCEWRRSA-N 0 3 288.391 2.619 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001084784829 781834763 /nfs/dbraw/zinc/83/47/63/781834763.db2.gz HOHIYEKAGROSDL-QBPKDAKJSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC ZINC001098927612 781858683 /nfs/dbraw/zinc/85/86/83/781858683.db2.gz NOJHVVWYJNSPDV-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCO1 ZINC001230677391 781867770 /nfs/dbraw/zinc/86/77/70/781867770.db2.gz ZENQHTMXMXVWMO-JKSUJKDBSA-N 0 3 296.455 2.669 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231095109 781907941 /nfs/dbraw/zinc/90/79/41/781907941.db2.gz NIQGFLMLIFPFKE-HZPDHXFCSA-N 0 3 296.455 2.691 20 30 CFEDHN CC(C)N1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000594514185 349437062 /nfs/dbraw/zinc/43/70/62/349437062.db2.gz ROKNRFXHCOEPJC-INIZCTEOSA-N 0 3 299.418 2.587 20 30 CFEDHN C[C@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CO1 ZINC000594513893 349437066 /nfs/dbraw/zinc/43/70/66/349437066.db2.gz ULNKHCRHRGHUNY-WFASDCNBSA-N 0 3 258.365 2.755 20 30 CFEDHN CC[C@@H](COC)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594514586 349437431 /nfs/dbraw/zinc/43/74/31/349437431.db2.gz IWLZQOGQWKOEQO-HNNXBMFYSA-N 0 3 258.365 2.952 20 30 CFEDHN C[C@@H](Cn1cccn1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594519587 349439889 /nfs/dbraw/zinc/43/98/89/349439889.db2.gz WQSAJQSSOJJLGR-AWEZNQCLSA-N 0 3 280.375 2.812 20 30 CFEDHN CCC(C)(C)N1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000594590867 349453923 /nfs/dbraw/zinc/45/39/23/349453923.db2.gz GYSBMSXPLHQDHZ-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN CCC(C)(C)N1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000594595131 349455652 /nfs/dbraw/zinc/45/56/52/349455652.db2.gz STSWYNCVROHSKC-UHFFFAOYSA-N 0 3 286.423 2.881 20 30 CFEDHN Cc1ccc(C#N)c(N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594596518 349456406 /nfs/dbraw/zinc/45/64/06/349456406.db2.gz AJVOUWAMOGKPQM-CABCVRRESA-N 0 3 270.380 2.691 20 30 CFEDHN Cc1cc(C)c(C#N)c(N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000594599416 349457251 /nfs/dbraw/zinc/45/72/51/349457251.db2.gz JQRQDXKXRHKNEL-HOTGVXAUSA-N 0 3 284.407 2.999 20 30 CFEDHN C[C@@H](O)CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000594615348 349464855 /nfs/dbraw/zinc/46/48/55/349464855.db2.gz NFNPKVDSUWFWEG-SNVBAGLBSA-N 0 3 298.308 2.922 20 30 CFEDHN CC(C)(C)[C@H](N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658600 349470347 /nfs/dbraw/zinc/47/03/47/349470347.db2.gz WOCYVNGTQQERQL-CYBMUJFWSA-N 0 3 275.400 2.798 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000124581398 187144453 /nfs/dbraw/zinc/14/44/53/187144453.db2.gz WSZBHVOVZSHLSS-IUODEOHRSA-N 0 3 271.364 2.760 20 30 CFEDHN C#CCCN(C)Cc1cccc(Br)c1 ZINC000082493837 178059755 /nfs/dbraw/zinc/05/97/55/178059755.db2.gz KBNXVUWOZRSOCK-UHFFFAOYSA-N 0 3 252.155 2.904 20 30 CFEDHN N#Cc1ccc([N+](=O)[O-])c(NCCN2CCCCCC2)c1 ZINC000124752551 187151572 /nfs/dbraw/zinc/15/15/72/187151572.db2.gz ZANNOOYZXAZGFY-UHFFFAOYSA-N 0 3 288.351 2.754 20 30 CFEDHN Cc1c(Br)cncc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000594951494 349526205 /nfs/dbraw/zinc/52/62/05/349526205.db2.gz TWMXZJWKMXQFPS-CMPLNLGQSA-N 0 3 294.196 2.934 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cnc2n1CCC2 ZINC000594948625 349525476 /nfs/dbraw/zinc/52/54/76/349525476.db2.gz AKOHJIZFNSOAJH-QGZVFWFLSA-N 0 3 292.386 2.868 20 30 CFEDHN C=CCCSCCNCc1cnc(N(C)C)s1 ZINC000594960150 349530360 /nfs/dbraw/zinc/53/03/60/349530360.db2.gz LCKPEYNNORZGNF-UHFFFAOYSA-N 0 3 271.455 2.608 20 30 CFEDHN C=CCCSCCNCc1cnc2ccc(C#N)cn12 ZINC000594959788 349530506 /nfs/dbraw/zinc/53/05/06/349530506.db2.gz DUCWPKRVVUMSTQ-UHFFFAOYSA-N 0 3 286.404 2.605 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC000594965190 349533292 /nfs/dbraw/zinc/53/32/92/349533292.db2.gz RKBYNQRJEKNCCH-AWEZNQCLSA-N 0 3 275.371 2.660 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCN(C3CCCCC3)C2)n1 ZINC000594978032 349536498 /nfs/dbraw/zinc/53/64/98/349536498.db2.gz QJQYSYXBYUQQGW-LBPRGKRZSA-N 0 3 290.436 2.511 20 30 CFEDHN C[C@H]1CCC[C@H](CNCc2ccc(C#N)cc2F)O1 ZINC000594982621 349538230 /nfs/dbraw/zinc/53/82/30/349538230.db2.gz BURUYDHZHFJQQF-SMDDNHRTSA-N 0 3 262.328 2.745 20 30 CFEDHN N#Cc1cccc(C2(NCC3=CCCOC3)CCOCC2)c1 ZINC000594985602 349539141 /nfs/dbraw/zinc/53/91/41/349539141.db2.gz ZSEGCYIZVCBLLQ-UHFFFAOYSA-N 0 3 298.386 2.500 20 30 CFEDHN Cn1cccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594985536 349539281 /nfs/dbraw/zinc/53/92/81/349539281.db2.gz ZAGMLBIDJLCXNB-UHFFFAOYSA-N 0 3 295.386 2.692 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000594986695 349539950 /nfs/dbraw/zinc/53/99/50/349539950.db2.gz GJRSSMXDVCEKBV-JKSUJKDBSA-N 0 3 284.403 2.881 20 30 CFEDHN C[C@H](N[C@@H]1COC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000595048749 349564052 /nfs/dbraw/zinc/56/40/52/349564052.db2.gz MMXSSHRLBZCXAZ-GWCFXTLKSA-N 0 3 262.328 2.915 20 30 CFEDHN Cc1ncncc1[C@H](C)NCCc1ccc(C#N)cc1 ZINC000595055245 349566553 /nfs/dbraw/zinc/56/65/53/349566553.db2.gz BPGSIGNARAIPEI-LBPRGKRZSA-N 0 3 266.348 2.550 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2COc3cc(F)ccc3C2)C1 ZINC000595078819 349576081 /nfs/dbraw/zinc/57/60/81/349576081.db2.gz BENWIGRBPSVMOW-UGFHNGPFSA-N 0 3 274.339 2.801 20 30 CFEDHN C[C@@H](NC[C@H](CO)CC1CC1)c1ccc(C#N)c(F)c1 ZINC000595088106 349577006 /nfs/dbraw/zinc/57/70/06/349577006.db2.gz GKBATDWLBYMYDO-DGCLKSJQSA-N 0 3 276.355 2.757 20 30 CFEDHN CCCN1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000595097129 349580376 /nfs/dbraw/zinc/58/03/76/349580376.db2.gz PTRGEMBXLAERMS-OCCSQVGLSA-N 0 3 275.371 2.832 20 30 CFEDHN N#CC1(CNC(=O)C[C@H]2NCc3ccccc32)CCCCC1 ZINC000595257162 349587902 /nfs/dbraw/zinc/58/79/02/349587902.db2.gz HPEDZKHGTZZEGH-MRXNPFEDSA-N 0 3 297.402 2.811 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000595256369 349588371 /nfs/dbraw/zinc/58/83/71/349588371.db2.gz NZRRUXBSPWYIGW-CVEARBPZSA-N 0 3 291.439 2.826 20 30 CFEDHN C[C@@H](CNC(=O)[C@H](N)CCCCC#N)C1CCCCC1 ZINC000595260314 349589104 /nfs/dbraw/zinc/58/91/04/349589104.db2.gz ZMMKVGANUCCVGE-DZGCQCFKSA-N 0 3 279.428 2.730 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](N)CCCCC#N ZINC000595258858 349589377 /nfs/dbraw/zinc/58/93/77/349589377.db2.gz FIDIAAJUDJCVKC-MJBXVCDLSA-N 0 3 265.401 2.577 20 30 CFEDHN CC(C)C[C@H]1COCCN1CCc1ccc(C#N)cc1 ZINC000595316384 349600684 /nfs/dbraw/zinc/60/06/84/349600684.db2.gz BZZQSOPWJZUHMH-KRWDZBQOSA-N 0 3 272.392 2.848 20 30 CFEDHN CC(C)CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000068334738 346848386 /nfs/dbraw/zinc/84/83/86/346848386.db2.gz MTGDIFDCONWJJU-HNNXBMFYSA-N 0 3 287.407 2.910 20 30 CFEDHN C[C@]1(NCc2cccc(C#N)c2)CCO[C@H]1C1CC1 ZINC000273103892 192044644 /nfs/dbraw/zinc/04/46/44/192044644.db2.gz WFECCGGNSNKQQG-HOTGVXAUSA-N 0 3 256.349 2.605 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000595444731 349628658 /nfs/dbraw/zinc/62/86/58/349628658.db2.gz CUNKNWNACHQMDM-GOSISDBHSA-N 0 3 284.403 2.992 20 30 CFEDHN C=CCCCCN[C@@](C)(CC(=O)OC)c1ccncc1 ZINC000595486625 349640332 /nfs/dbraw/zinc/64/03/32/349640332.db2.gz OXOBOLWZEDVGKR-INIZCTEOSA-N 0 3 276.380 2.806 20 30 CFEDHN CC[C@@H]1CN(CCc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000595558190 349658930 /nfs/dbraw/zinc/65/89/30/349658930.db2.gz MYVONJGTEIVSDK-DLBZAZTESA-N 0 3 272.392 2.990 20 30 CFEDHN CC(C)O[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595559146 349659697 /nfs/dbraw/zinc/65/96/97/349659697.db2.gz PZZBQVVSHRPYIG-KRWDZBQOSA-N 0 3 272.392 2.990 20 30 CFEDHN CN(CCN1CCCCC1)[C@H](C#N)c1ccccc1 ZINC000595561854 349660389 /nfs/dbraw/zinc/66/03/89/349660389.db2.gz FCGHFPTYMFYTDL-MRXNPFEDSA-N 0 3 257.381 2.669 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCO[C@@H]1CC1(F)F ZINC000595548091 349656542 /nfs/dbraw/zinc/65/65/42/349656542.db2.gz ACNWRDDEBSZGQM-SMDDNHRTSA-N 0 3 280.318 2.975 20 30 CFEDHN N#Cc1ccc(C2(NCCO[C@H]3CC3(F)F)CCC2)cc1 ZINC000595564220 349661506 /nfs/dbraw/zinc/66/15/06/349661506.db2.gz YNOMDGSGAMYHOK-AWEZNQCLSA-N 0 3 292.329 2.951 20 30 CFEDHN N#Cc1ccccc1OCCN1C[C@@H]2CCCC[C@@H]21 ZINC000595565659 349661570 /nfs/dbraw/zinc/66/15/70/349661570.db2.gz IMPVHSLSLCFJKY-GJZGRUSLSA-N 0 3 256.349 2.811 20 30 CFEDHN CC[C@@H](C)N(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000595593482 349667906 /nfs/dbraw/zinc/66/79/06/349667906.db2.gz QJONRFWPIOXITM-CQSZACIVSA-N 0 3 279.428 2.792 20 30 CFEDHN N#CC[C@@H]1CCCN(CCC(=O)Nc2ccccc2)C1 ZINC000595610988 349675311 /nfs/dbraw/zinc/67/53/11/349675311.db2.gz FRMIVTQIUWBYDA-AWEZNQCLSA-N 0 3 271.364 2.641 20 30 CFEDHN COc1ccc(COCCN2CCC[C@H](CC#N)C2)cc1 ZINC000595614670 349677013 /nfs/dbraw/zinc/67/70/13/349677013.db2.gz MDBLQRUECIRUJB-OAHLLOKOSA-N 0 3 288.391 2.837 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000595618726 349678898 /nfs/dbraw/zinc/67/88/98/349678898.db2.gz ZYHYZVADLPAGRX-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN C=C(Br)CN1CCC[C@@H]1CN1CCCCC1 ZINC000069607814 346896613 /nfs/dbraw/zinc/89/66/13/346896613.db2.gz GNXLYFMHLMMXDM-CYBMUJFWSA-N 0 3 287.245 2.845 20 30 CFEDHN COCc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000595623919 349681795 /nfs/dbraw/zinc/68/17/95/349681795.db2.gz YLXANNWFZQHTKH-CQSZACIVSA-N 0 3 258.365 2.959 20 30 CFEDHN C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)[C@@H]1CCO ZINC000595691423 349702947 /nfs/dbraw/zinc/70/29/47/349702947.db2.gz AVAMZTWTQGKFSQ-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C)[C@@H]1CCO ZINC000595692989 349703718 /nfs/dbraw/zinc/70/37/18/349703718.db2.gz CONFYVDAZPMTHO-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1Cc1ccccc1C#N ZINC000595670586 349696121 /nfs/dbraw/zinc/69/61/21/349696121.db2.gz FFJUOPZULTXPIU-CZUORRHYSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000595676797 349696864 /nfs/dbraw/zinc/69/68/64/349696864.db2.gz OPGIDERZWRXCBM-MLGOLLRUSA-N 0 3 276.355 2.680 20 30 CFEDHN CCc1cccc2c(CCNC(=O)C(C)C#N)c[nH]c21 ZINC000347117430 529553414 /nfs/dbraw/zinc/55/34/14/529553414.db2.gz UIVFXBKFUPUZBC-LLVKDONJSA-N 0 3 269.348 2.549 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](C)[C@@H]2CCO)cc1C#N ZINC000595698646 349707532 /nfs/dbraw/zinc/70/75/32/349707532.db2.gz NLGQNFVOCPVGHS-CJNGLKHVSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)[C@@H]1CCO ZINC000595698606 349707656 /nfs/dbraw/zinc/70/76/56/349707656.db2.gz NGQFPSUDWCTPIR-WMLDXEAASA-N 0 3 297.402 2.794 20 30 CFEDHN COc1ccc(CN2CCC[C@H](C)[C@@H]2CCO)cc1C#N ZINC000595698644 349707744 /nfs/dbraw/zinc/70/77/44/349707744.db2.gz NLGQNFVOCPVGHS-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN CCc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354479092 529571641 /nfs/dbraw/zinc/57/16/41/529571641.db2.gz VUZKMBNXWVGLSW-CYBMUJFWSA-N 0 3 251.289 2.529 20 30 CFEDHN CCc1ccc(-c2noc([C@H](C)NC(=O)C(C)C#N)n2)cc1 ZINC000350641446 529580071 /nfs/dbraw/zinc/58/00/71/529580071.db2.gz IAXJIIYOTMHXPB-MNOVXSKESA-N 0 3 298.346 2.636 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595829100 349744302 /nfs/dbraw/zinc/74/43/02/349744302.db2.gz WEKOZBIBKNQOPR-GOEBONIOSA-N 0 3 257.381 2.889 20 30 CFEDHN CC(C)CC1(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000595832648 349746039 /nfs/dbraw/zinc/74/60/39/349746039.db2.gz GUJXTVUSMHWNMJ-AWEZNQCLSA-N 0 3 291.439 2.886 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000595784587 349732952 /nfs/dbraw/zinc/73/29/52/349732952.db2.gz SFEZPVCAFGNARJ-RBSFLKMASA-N 0 3 279.428 2.505 20 30 CFEDHN COc1ccc(CN(C)CC2=CCSC2)cc1C#N ZINC000595889007 349762061 /nfs/dbraw/zinc/76/20/61/349762061.db2.gz QELVNYAJHJZFSE-UHFFFAOYSA-N 0 3 274.389 2.672 20 30 CFEDHN C[C@@]1(C#N)CCN(CCCCCN2CC[C@@](C)(C#N)C2)C1 ZINC000595839703 349750762 /nfs/dbraw/zinc/75/07/62/349750762.db2.gz IHCCGVZAFSRKFT-IRXDYDNUSA-N 0 3 288.439 2.628 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856425 349756054 /nfs/dbraw/zinc/75/60/54/349756054.db2.gz CDFJGBBHRDRDIY-IVGDKVGSSA-N 0 3 291.439 2.692 20 30 CFEDHN C[C@](Cc1ccccc1)(NC(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000595976319 349773830 /nfs/dbraw/zinc/77/38/30/349773830.db2.gz NESXOGXRXKWACO-FUHWJXTLSA-N 0 3 299.418 2.535 20 30 CFEDHN C[C@@](Cc1ccccc1)(NC(=O)[C@H](N)CCCC#N)C1CC1 ZINC000595976318 349773862 /nfs/dbraw/zinc/77/38/62/349773862.db2.gz NESXOGXRXKWACO-AEFFLSMTSA-N 0 3 299.418 2.535 20 30 CFEDHN CC[C@H](N[C@H](C)C(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000414328571 529664053 /nfs/dbraw/zinc/66/40/53/529664053.db2.gz AQEXGBFSRFVOJU-DOMZBBRYSA-N 0 3 273.380 2.512 20 30 CFEDHN CN(CC[C@@H]1CCCCN1C)c1nc(C#N)c(Cl)s1 ZINC000596138121 349805028 /nfs/dbraw/zinc/80/50/28/349805028.db2.gz FVBCSZLAPLUCPL-JTQLQIEISA-N 0 3 298.843 2.979 20 30 CFEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)C1CCCC1 ZINC000128121110 187352794 /nfs/dbraw/zinc/35/27/94/187352794.db2.gz LDYYNZRTAXOHMQ-UHFFFAOYSA-N 0 3 289.379 2.971 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@@H](C)CCN(C)C)c1 ZINC000273181632 192068204 /nfs/dbraw/zinc/06/82/04/192068204.db2.gz HHLMJBMZXKYZRN-NSHDSACASA-N 0 3 259.353 2.513 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(N(C)CC3CN(C)C3)c2c1 ZINC000596454250 349907171 /nfs/dbraw/zinc/90/71/71/349907171.db2.gz RGSRXXMPURIVGP-UHFFFAOYSA-N 0 3 294.402 2.721 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(C2CCCC2)CC1 ZINC000087608687 260215322 /nfs/dbraw/zinc/21/53/22/260215322.db2.gz QKSHFFQDIVGTPE-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231255395 781924892 /nfs/dbraw/zinc/92/48/92/781924892.db2.gz LVWSRLULPOLCHZ-QSYFUGGGSA-N 0 3 264.413 2.698 20 30 CFEDHN CN1CC=C(CNC(=O)CNC(=O)CC2CCCC2)CC1 ZINC000329221419 530047222 /nfs/dbraw/zinc/04/72/22/530047222.db2.gz UTUIAFOWHOALPG-UHFFFAOYSA-N 0 3 293.411 2.742 20 30 CFEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(CC#N)c1 ZINC000344665571 530051899 /nfs/dbraw/zinc/05/18/99/530051899.db2.gz JOCROHVITJIGCJ-MRXNPFEDSA-N 0 3 299.418 2.603 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000596487393 349917311 /nfs/dbraw/zinc/91/73/11/349917311.db2.gz YJINLRXZTZJDHP-MRXNPFEDSA-N 0 3 286.379 2.516 20 30 CFEDHN CN1CCN(CC2(C#N)CCC2)C2(CCCCC2)C1 ZINC000336193288 530071744 /nfs/dbraw/zinc/07/17/44/530071744.db2.gz KWUDUWKKTSZFCS-UHFFFAOYSA-N 0 3 261.413 2.631 20 30 CFEDHN C=CCN1CCC(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000668368476 539430311 /nfs/dbraw/zinc/43/03/11/539430311.db2.gz AFECRVIALIJCTA-HZPDHXFCSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000668369496 539430357 /nfs/dbraw/zinc/43/03/57/539430357.db2.gz ZAHBTTTZSZPAGS-AWEZNQCLSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCC(NC(=O)c2c(F)cc(C)cc2F)CC1 ZINC000668369408 539430365 /nfs/dbraw/zinc/43/03/65/539430365.db2.gz WZBQJIVKZKDDTE-UHFFFAOYSA-N 0 3 294.345 2.653 20 30 CFEDHN Cc1noc(C)c1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353389015 282383104 /nfs/dbraw/zinc/38/31/04/282383104.db2.gz QWUDZSXUKQLTIO-QGZVFWFLSA-N 0 3 281.359 2.983 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CCC3)CC2)c(F)c1 ZINC000173610898 232277910 /nfs/dbraw/zinc/27/79/10/232277910.db2.gz ZQSBLXUCWBMTOW-UHFFFAOYSA-N 0 3 273.355 2.619 20 30 CFEDHN CCC[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000273279916 192098942 /nfs/dbraw/zinc/09/89/42/192098942.db2.gz GPUTYMLSUFMMDH-KRWDZBQOSA-N 0 3 299.418 2.829 20 30 CFEDHN Cn1cc(CN2CCC[C@H]2COc2ccccc2)cc1C#N ZINC000295139093 199366831 /nfs/dbraw/zinc/36/68/31/199366831.db2.gz ZHUNWLNZHTXFET-INIZCTEOSA-N 0 3 295.386 2.940 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnc(N3CCCC3)nc2)C1 ZINC000668493516 539535166 /nfs/dbraw/zinc/53/51/66/539535166.db2.gz OPYGJWVWIOZIDK-HNNXBMFYSA-N 0 3 286.423 2.865 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnn(CC(F)F)c2)C1 ZINC000668494134 539535923 /nfs/dbraw/zinc/53/59/23/539535923.db2.gz WIRKJYXHTZWGHL-LBPRGKRZSA-N 0 3 269.339 2.936 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccccc2)nc(C)n1 ZINC000041574303 346353079 /nfs/dbraw/zinc/35/30/79/346353079.db2.gz WOHJCOFWSSJVJR-CYBMUJFWSA-N 0 3 251.289 2.584 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000042247673 346363352 /nfs/dbraw/zinc/36/33/52/346363352.db2.gz OTKRPBCQUNMZBO-KKUMJFAQSA-N 0 3 266.429 2.777 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000044809436 346398990 /nfs/dbraw/zinc/39/89/90/346398990.db2.gz LAFHHUVJAXIKHC-GOEBONIOSA-N 0 3 287.407 2.735 20 30 CFEDHN N#Cc1ccccc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000046092314 346419761 /nfs/dbraw/zinc/41/97/61/346419761.db2.gz HVLKZUCSUNYUGX-ZDUSSCGKSA-N 0 3 256.349 2.559 20 30 CFEDHN CC(C)(CNC(=O)c1cccc(CC#N)c1)N1CCCCC1 ZINC000048178471 346468715 /nfs/dbraw/zinc/46/87/15/346468715.db2.gz ZNCSQPUQPFHVOT-UHFFFAOYSA-N 0 3 299.418 2.747 20 30 CFEDHN CCCNC(=O)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000447532750 535049146 /nfs/dbraw/zinc/04/91/46/535049146.db2.gz VMAQZGDRBOGXGB-HNNXBMFYSA-N 0 3 273.380 2.515 20 30 CFEDHN CCC(CC)CN(CC)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000051824490 346507563 /nfs/dbraw/zinc/50/75/63/346507563.db2.gz RPNSZZCCBVYYHD-INIZCTEOSA-N 0 3 279.428 2.553 20 30 CFEDHN CCCN(CC(=O)N(C)C1(C#N)CCCCC1)CC1CC1 ZINC000052890964 346532337 /nfs/dbraw/zinc/53/23/37/346532337.db2.gz GECBDWTYSGJATF-UHFFFAOYSA-N 0 3 291.439 2.793 20 30 CFEDHN C#CCN1CCC(C(=O)NCc2c(C)cc(C)cc2C)CC1 ZINC000057155354 346619916 /nfs/dbraw/zinc/61/99/16/346619916.db2.gz HFQADZPOJSXMEZ-UHFFFAOYSA-N 0 3 298.430 2.573 20 30 CFEDHN C=CCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000054953098 346579875 /nfs/dbraw/zinc/57/98/75/346579875.db2.gz HRVNBJYUJFZYAM-UHFFFAOYSA-N 0 3 287.407 2.658 20 30 CFEDHN CCN(CC)C(=O)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000058524903 346645656 /nfs/dbraw/zinc/64/56/56/346645656.db2.gz IZWXWFFHSJHOSQ-UHFFFAOYSA-N 0 3 299.418 2.639 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000063725594 346707994 /nfs/dbraw/zinc/70/79/94/346707994.db2.gz QDBHWCMWUMVCIS-UHFFFAOYSA-N 0 3 285.391 2.505 20 30 CFEDHN N#CCCCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075917333 347109665 /nfs/dbraw/zinc/10/96/65/347109665.db2.gz JXSNHKOXEBGUQA-UHFFFAOYSA-N 0 3 299.374 2.695 20 30 CFEDHN CC(C)CN1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000076487484 347141176 /nfs/dbraw/zinc/14/11/76/347141176.db2.gz YDBVHVWNZLENIL-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN COCC#CCN1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000677133254 539555084 /nfs/dbraw/zinc/55/50/84/539555084.db2.gz PBNTXFAMJSMQBV-HIFRSBDPSA-N 0 3 261.340 2.653 20 30 CFEDHN COCC#CCN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000677133256 539555107 /nfs/dbraw/zinc/55/51/07/539555107.db2.gz PBNTXFAMJSMQBV-ZFWWWQNUSA-N 0 3 261.340 2.653 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000079004366 347284589 /nfs/dbraw/zinc/28/45/89/347284589.db2.gz MFZZATMNFYUHFJ-LLVKDONJSA-N 0 3 292.342 2.579 20 30 CFEDHN Cc1cc(C)c(C#N)c(NCCN2CCC[C@H](C)C2)n1 ZINC000079914633 347331590 /nfs/dbraw/zinc/33/15/90/347331590.db2.gz HGQAZCNRXUKCSN-LBPRGKRZSA-N 0 3 272.396 2.714 20 30 CFEDHN N#Cc1cccc(OCCN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080984846 347393169 /nfs/dbraw/zinc/39/31/69/347393169.db2.gz VIEXPEGKSMQELM-HNNXBMFYSA-N 0 3 296.374 2.540 20 30 CFEDHN C=C(C)COc1cc(CN2CCC[C@H]2CO)ccc1OC ZINC000092456073 347626009 /nfs/dbraw/zinc/62/60/09/347626009.db2.gz HZRKQVBUGOBAPE-HNNXBMFYSA-N 0 3 291.391 2.607 20 30 CFEDHN CN1CC[C@@H]2[C@H](CCCN2c2snc(Cl)c2C#N)C1 ZINC000092685969 347640675 /nfs/dbraw/zinc/64/06/75/347640675.db2.gz RCLAAGKZCJADQQ-MWLCHTKSSA-N 0 3 296.827 2.589 20 30 CFEDHN C=CCOc1ccccc1CN1CCC([C@H](C)O)CC1 ZINC000092969965 347655640 /nfs/dbraw/zinc/65/56/40/347655640.db2.gz HMZMUGODYRPVBY-AWEZNQCLSA-N 0 3 275.392 2.844 20 30 CFEDHN C#CCCOc1ccc(CN2CCC([C@@H](C)O)CC2)cc1 ZINC000092970267 347656666 /nfs/dbraw/zinc/65/66/66/347656666.db2.gz SLEGVGVEYQCPFP-OAHLLOKOSA-N 0 3 287.403 2.682 20 30 CFEDHN C=CCC1(NCc2cc(OC)cc(C)n2)CCOCC1 ZINC000668552579 539572510 /nfs/dbraw/zinc/57/25/10/539572510.db2.gz PBIHLYOZUYHHLX-UHFFFAOYSA-N 0 3 276.380 2.614 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000668554912 539574525 /nfs/dbraw/zinc/57/45/25/539574525.db2.gz RDVKKHJLTPTYHR-KBPBESRZSA-N 0 3 275.392 2.700 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCC(C)C ZINC000126684910 347836480 /nfs/dbraw/zinc/83/64/80/347836480.db2.gz DNORXAHYNHYJFK-AWEZNQCLSA-N 0 3 254.418 2.777 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1nc(C)ccc1C#N ZINC000161436919 348024319 /nfs/dbraw/zinc/02/43/19/348024319.db2.gz HUVYAGISJOODRR-OAHLLOKOSA-N 0 3 272.396 2.938 20 30 CFEDHN C=CCN(C)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000154781589 347982537 /nfs/dbraw/zinc/98/25/37/347982537.db2.gz CIFIDYFUJNJNSB-UHFFFAOYSA-N 0 3 273.336 2.575 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC(C)C)C(C)C ZINC000170908959 348065221 /nfs/dbraw/zinc/06/52/21/348065221.db2.gz YYFAACJBPBNXQP-UHFFFAOYSA-N 0 3 254.418 2.777 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCc3c2cccc3C)CC1 ZINC000171739224 348079492 /nfs/dbraw/zinc/07/94/92/348079492.db2.gz MFDCLHBYZYPGFX-UHFFFAOYSA-N 0 3 299.418 2.718 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000172908585 348104043 /nfs/dbraw/zinc/10/40/43/348104043.db2.gz UJNOBZXEUKKLPB-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)C2CCC2)CC1 ZINC000124653903 539601958 /nfs/dbraw/zinc/60/19/58/539601958.db2.gz AIDCFYBCUZUSFY-ZDUSSCGKSA-N 0 3 279.428 2.515 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(c2ccccc2)CC1 ZINC000184082161 348127196 /nfs/dbraw/zinc/12/71/96/348127196.db2.gz KEJRFCDMEICCPR-CQSZACIVSA-N 0 3 257.381 2.937 20 30 CFEDHN C=C[C@@H](C)NCc1cc2c(c(Br)c1)OCO2 ZINC000130429787 539600324 /nfs/dbraw/zinc/60/03/24/539600324.db2.gz XRCNLIZZYMXQMI-MRVPVSSYSA-N 0 3 284.153 2.842 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(C)CCCOC2)cc1 ZINC000221341628 348171350 /nfs/dbraw/zinc/17/13/50/348171350.db2.gz MEBAEXQIANHNHP-INIZCTEOSA-N 0 3 261.365 2.910 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c1C#N ZINC000273343967 192120718 /nfs/dbraw/zinc/12/07/18/192120718.db2.gz OGJUCGCQIXQJEG-LKFCYVNXSA-N 0 3 290.798 2.810 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc(CC#N)c1 ZINC000264868500 348318743 /nfs/dbraw/zinc/31/87/43/348318743.db2.gz AAYXQDWQKOFLDQ-KRWDZBQOSA-N 0 3 299.418 2.747 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)o1 ZINC000281208863 348342390 /nfs/dbraw/zinc/34/23/90/348342390.db2.gz JNODDINADSDBJN-BZUAXINKSA-N 0 3 274.364 2.667 20 30 CFEDHN Cc1ccnc(NCCN2CCCC[C@@H]2C)c1C#N ZINC000273360450 192125744 /nfs/dbraw/zinc/12/57/44/192125744.db2.gz QQCLNVKKQCMYQB-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)c1c(F)cccc1F ZINC000335999089 348450367 /nfs/dbraw/zinc/45/03/67/348450367.db2.gz OFRKNQLPGPWQAX-IUCAKERBSA-N 0 3 252.264 2.644 20 30 CFEDHN N#CC(C(=O)c1cccc(C(F)(F)F)c1)c1ccncn1 ZINC000354480540 348501323 /nfs/dbraw/zinc/50/13/23/348501323.db2.gz XJTUWQBLOVMEPR-LLVKDONJSA-N 0 3 291.232 2.985 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CCC1CC1 ZINC000355046847 348502589 /nfs/dbraw/zinc/50/25/89/348502589.db2.gz ZPXAPQXPACMOKY-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@@H](c3ccccc3)C2)nn1 ZINC000424166784 348610144 /nfs/dbraw/zinc/61/01/44/348610144.db2.gz BGKSTWLASKJZBS-HZPDHXFCSA-N 0 3 282.391 2.890 20 30 CFEDHN C=CCn1cc(CN[C@H]2CC[C@H](c3ccccc3)C2)nn1 ZINC000424166782 348610166 /nfs/dbraw/zinc/61/01/66/348610166.db2.gz BGKSTWLASKJZBS-HOTGVXAUSA-N 0 3 282.391 2.890 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCC(C)(C)C#N ZINC000405219081 348596681 /nfs/dbraw/zinc/59/66/81/348596681.db2.gz KNCUTIUQKAUDKZ-GDBMZVCRSA-N 0 3 271.408 2.646 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC(CC#N)CC1 ZINC000397233464 348561588 /nfs/dbraw/zinc/56/15/88/348561588.db2.gz SQODMOCDKMESNK-UHFFFAOYSA-N 0 3 253.349 2.992 20 30 CFEDHN CO[C@@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000397615059 348562017 /nfs/dbraw/zinc/56/20/17/348562017.db2.gz OYDKOCCVHKXHGU-HOCLYGCPSA-N 0 3 258.365 3.000 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398141746 348567151 /nfs/dbraw/zinc/56/71/51/348567151.db2.gz AORFWMJAOOMBAV-USXIJHARSA-N 0 3 299.418 2.563 20 30 CFEDHN N#CCCC1CCN(C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000584780073 348714818 /nfs/dbraw/zinc/71/48/18/348714818.db2.gz BDQKWVDIGXEXDF-INIZCTEOSA-N 0 3 291.439 2.826 20 30 CFEDHN C=CCN(C)CCN(CC)C[C@@H]1CCC2(CCCC2)O1 ZINC000584706569 348707061 /nfs/dbraw/zinc/70/70/61/348707061.db2.gz QFSZDUZNAOHEPV-INIZCTEOSA-N 0 3 280.456 2.918 20 30 CFEDHN CC(=O)NCC[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000588215872 348779965 /nfs/dbraw/zinc/77/99/65/348779965.db2.gz AAGNYICUMYFVLR-MRXNPFEDSA-N 0 3 299.418 2.605 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCCCCC#N ZINC000588351862 348784876 /nfs/dbraw/zinc/78/48/76/348784876.db2.gz FYTIBAREGDUXRZ-HUUCEWRRSA-N 0 3 279.428 2.840 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000585755170 348743830 /nfs/dbraw/zinc/74/38/30/348743830.db2.gz NXVNBNQQZXVLPA-UXLLHSPISA-N 0 3 287.403 2.798 20 30 CFEDHN CCC#C[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000586773220 348750333 /nfs/dbraw/zinc/75/03/33/348750333.db2.gz FOLQYSZUNBMKOZ-CYBMUJFWSA-N 0 3 260.337 2.871 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000586794030 348752838 /nfs/dbraw/zinc/75/28/38/348752838.db2.gz ADCHEHBRMWBRPG-SNVBAGLBSA-N 0 3 271.320 2.878 20 30 CFEDHN N#Cc1ccc(C2=CC[N@H+](Cc3ncccc3[O-])CC2)cc1 ZINC000589167758 348815132 /nfs/dbraw/zinc/81/51/32/348815132.db2.gz YKKZGCOOFNDYGD-UHFFFAOYSA-N 0 3 291.354 2.948 20 30 CFEDHN N#Cc1ccc(C2=CC[N@@H+](Cc3ncccc3[O-])CC2)cc1 ZINC000589167758 348815134 /nfs/dbraw/zinc/81/51/34/348815134.db2.gz YKKZGCOOFNDYGD-UHFFFAOYSA-N 0 3 291.354 2.948 20 30 CFEDHN CC(C)OC1CCC(NCc2nc(C#N)cs2)CC1 ZINC000589315974 348826990 /nfs/dbraw/zinc/82/69/90/348826990.db2.gz YQZNYSHZOKAJFJ-UHFFFAOYSA-N 0 3 279.409 2.841 20 30 CFEDHN CN1CCC(CC(=O)N[C@@](C)(C#N)C2CCCCC2)CC1 ZINC000589838313 348859783 /nfs/dbraw/zinc/85/97/83/348859783.db2.gz BGKLQLNRXGIOQU-KRWDZBQOSA-N 0 3 291.439 2.697 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(OCc2ccccc2)CC1 ZINC000677475582 539687980 /nfs/dbraw/zinc/68/79/80/539687980.db2.gz CUMJISUNUSOCFI-QGZVFWFLSA-N 0 3 275.392 2.605 20 30 CFEDHN COc1ccc(CN(C)[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000590154433 348879512 /nfs/dbraw/zinc/87/95/12/348879512.db2.gz BZZDHDKBONELAL-OCCSQVGLSA-N 0 3 274.364 2.828 20 30 CFEDHN CCN1C[C@H](CN(C)[C@@H]2CC[C@@H](C#N)C2)Oc2ccccc21 ZINC000590154516 348880191 /nfs/dbraw/zinc/88/01/91/348880191.db2.gz KPQPONRGGISVFG-OAGGEKHMSA-N 0 3 299.418 2.898 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)CC1(C#N)CC1 ZINC000590292090 348890828 /nfs/dbraw/zinc/89/08/28/348890828.db2.gz HOKFDTCAIIZWNB-UHFFFAOYSA-N 0 3 271.364 2.689 20 30 CFEDHN COCCN(Cc1ccc(C)o1)C[C@H](C)CCC#N ZINC000590594625 348912013 /nfs/dbraw/zinc/91/20/13/348912013.db2.gz UHFIPHXLNXKRFR-CYBMUJFWSA-N 0 3 264.369 2.976 20 30 CFEDHN COc1ccc(CN(C)[C@@H](C)CCC#N)cc1OC ZINC000591010682 348977444 /nfs/dbraw/zinc/97/74/44/348977444.db2.gz LNVWLCANRALJKH-LBPRGKRZSA-N 0 3 262.353 2.828 20 30 CFEDHN C[C@H](CCC#N)N1CCC(CC(=O)NC2CCCC2)CC1 ZINC000591011815 348978267 /nfs/dbraw/zinc/97/82/67/348978267.db2.gz IIWIIPMATVNLHY-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CC1(F)F ZINC000591504108 349027450 /nfs/dbraw/zinc/02/74/50/349027450.db2.gz XNECIUKZADSYJN-KCJUWKMLSA-N 0 3 254.255 2.831 20 30 CFEDHN N#CC[C@]1(O)CCN(CCCc2ccc(Cl)cc2)C1 ZINC000592150277 349091374 /nfs/dbraw/zinc/09/13/74/349091374.db2.gz DDQNXSZPVYHKPH-HNNXBMFYSA-N 0 3 278.783 2.623 20 30 CFEDHN CCN(CCSC)Cc1ccc(F)c(C#N)c1 ZINC000592200116 349098722 /nfs/dbraw/zinc/09/87/22/349098722.db2.gz KFDASQZJQDQYNV-UHFFFAOYSA-N 0 3 252.358 2.882 20 30 CFEDHN CCc1nc2ccccc2c(N2CC[C@@](O)(CC#N)C2)c1C ZINC000591975550 349067686 /nfs/dbraw/zinc/06/76/86/349067686.db2.gz PDGNTYDISSQQPB-SFHVURJKSA-N 0 3 295.386 2.961 20 30 CFEDHN C=CCSCCNCc1ccnn1CC(C)C ZINC000592363148 349109481 /nfs/dbraw/zinc/10/94/81/349109481.db2.gz FNKHSXLUQLZFNI-UHFFFAOYSA-N 0 3 253.415 2.548 20 30 CFEDHN CC[C@H](C)C[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000592374379 349111133 /nfs/dbraw/zinc/11/11/33/349111133.db2.gz CZGLKEVGADDUJS-FZMZJTMJSA-N 0 3 264.344 2.584 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCO)c2ccccc2F)C1 ZINC000592403546 349117086 /nfs/dbraw/zinc/11/70/86/349117086.db2.gz OKHPYMZPTJFKAN-DVOMOZLQSA-N 0 3 276.355 2.921 20 30 CFEDHN C=CCCc1nc(-c2cccc(OCCN(C)C)c2)no1 ZINC000273971059 192383818 /nfs/dbraw/zinc/38/38/18/192383818.db2.gz VGFWWVVKULXRHV-UHFFFAOYSA-N 0 3 287.363 2.796 20 30 CFEDHN C[C@@]1(c2cccc(F)c2)CCN(CCOCCC#N)C1 ZINC000593040850 349192326 /nfs/dbraw/zinc/19/23/26/349192326.db2.gz MYGFJYQLMWHBLP-MRXNPFEDSA-N 0 3 276.355 2.719 20 30 CFEDHN N#Cc1ccc(OCCN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593114583 349212140 /nfs/dbraw/zinc/21/21/40/349212140.db2.gz DDHVKSBWHQTNLI-CQSZACIVSA-N 0 3 278.302 2.668 20 30 CFEDHN CN(CCN1CCCCC1)C(=O)Nc1ccc(C#N)cc1 ZINC000593133975 349218224 /nfs/dbraw/zinc/21/82/24/349218224.db2.gz RRTFAONNDDFBLL-UHFFFAOYSA-N 0 3 286.379 2.508 20 30 CFEDHN CC[C@H]1COC(C)(C)CN1CCCSCC#N ZINC000593057323 349197071 /nfs/dbraw/zinc/19/70/71/349197071.db2.gz SWIUZIRJVOWPNL-LBPRGKRZSA-N 0 3 256.415 2.523 20 30 CFEDHN C[C@@H](CO)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000593084548 349204659 /nfs/dbraw/zinc/20/46/59/349204659.db2.gz ROFVERFJOVSJHA-UONOGXRCSA-N 0 3 272.392 2.960 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000593436800 349269662 /nfs/dbraw/zinc/26/96/62/349269662.db2.gz JYRCDHSCNBQAQF-WBVHZDCISA-N 0 3 299.418 2.798 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593890957 349333462 /nfs/dbraw/zinc/33/34/62/349333462.db2.gz KGBOPJKUSDFVHW-TUUVXOQKSA-N 0 3 284.359 2.667 20 30 CFEDHN CSc1cc(NC(=O)[C@H](N)CCCC#N)ccc1C ZINC000593918745 349334605 /nfs/dbraw/zinc/33/46/05/349334605.db2.gz HJGDCWCWZXVGSC-GFCCVEGCSA-N 0 3 277.393 2.677 20 30 CFEDHN N#CC1(CNC2CCN(CC(F)(F)F)CC2)CCCC1 ZINC000593653389 349305283 /nfs/dbraw/zinc/30/52/83/349305283.db2.gz JGDMEALDLNISTB-UHFFFAOYSA-N 0 3 289.345 2.687 20 30 CFEDHN CC[C@@H](C#N)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000593684574 349309246 /nfs/dbraw/zinc/30/92/46/349309246.db2.gz CYZZFDBMLAGNBB-SMDDNHRTSA-N 0 3 293.798 2.609 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC000593760381 349322086 /nfs/dbraw/zinc/32/20/86/349322086.db2.gz BKALKJXJIAWZJM-RYUDHWBXSA-N 0 3 262.378 2.785 20 30 CFEDHN N#CC1(CNC(=O)[C@H]2CCCN2C2CCCC2)CCCC1 ZINC000593776314 349324482 /nfs/dbraw/zinc/32/44/82/349324482.db2.gz VNMVMRQBGSOBFL-OAHLLOKOSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CC1(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000594204693 349394317 /nfs/dbraw/zinc/39/43/17/349394317.db2.gz WWKYWTULVNDNEU-CABCVRRESA-N 0 3 289.423 2.594 20 30 CFEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000594059398 349367044 /nfs/dbraw/zinc/36/70/44/349367044.db2.gz QZIOETNGPKWKMJ-HOTGVXAUSA-N 0 3 298.390 2.697 20 30 CFEDHN CN1CC[C@H](NC(=O)CCCCC#N)[C@H]1c1ccccc1 ZINC000594333148 349408308 /nfs/dbraw/zinc/40/83/08/349408308.db2.gz WFKCZXQSZPMUEB-DOTOQJQBSA-N 0 3 285.391 2.632 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CCCC[C@H]1C ZINC000594437435 349422638 /nfs/dbraw/zinc/42/26/38/349422638.db2.gz WBMTXVQASPNDHS-RBSFLKMASA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000594437985 349422717 /nfs/dbraw/zinc/42/27/17/349422717.db2.gz YGYJDWKDYLDHQQ-CQSZACIVSA-N 0 3 298.346 2.691 20 30 CFEDHN Cc1cc(NC(=O)[C@@H](N)CCCCC#N)c(C)c(C)c1O ZINC000594436933 349422885 /nfs/dbraw/zinc/42/28/85/349422885.db2.gz KQDOURKBMPHHLX-ZDUSSCGKSA-N 0 3 289.379 2.667 20 30 CFEDHN Cc1ccc2cccc(NC(=O)[C@H](N)CCCCC#N)c2n1 ZINC000594441647 349423682 /nfs/dbraw/zinc/42/36/82/349423682.db2.gz UDTXBYAYLHBEPX-CQSZACIVSA-N 0 3 296.374 2.893 20 30 CFEDHN CC(C)(CNC(=O)[C@H](N)CCCCC#N)c1cccs1 ZINC000594447659 349424605 /nfs/dbraw/zinc/42/46/05/349424605.db2.gz UWZUMEAQGLBDNI-GFCCVEGCSA-N 0 3 293.436 2.553 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594445514 349424871 /nfs/dbraw/zinc/42/48/71/349424871.db2.gz GWHLFZBWGKCVDM-HZSPNIEDSA-N 0 3 279.428 2.729 20 30 CFEDHN CC[C@@H]1CCCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594446266 349424970 /nfs/dbraw/zinc/42/49/70/349424970.db2.gz RPEABGJQLZLYTA-KGLIPLIRSA-N 0 3 265.401 2.579 20 30 CFEDHN C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H]1CC2CCC1CC2 ZINC000594454208 349425906 /nfs/dbraw/zinc/42/59/06/349425906.db2.gz UTKHNMVGCFKUNZ-CHQKBHSXSA-N 0 3 291.439 2.729 20 30 CFEDHN CC1(c2ccccc2)CC(NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594455741 349426056 /nfs/dbraw/zinc/42/60/56/349426056.db2.gz CIFARNFKXJBCCB-UPTPFMHGSA-N 0 3 299.418 2.634 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H]1CC2CCC1CC2 ZINC000594454211 349426487 /nfs/dbraw/zinc/42/64/87/349426487.db2.gz UTKHNMVGCFKUNZ-WVTZPBJPSA-N 0 3 291.439 2.729 20 30 CFEDHN C[C@H](CCNCc1ccc(C(C)(C)C#N)cc1)[S@@](C)=O ZINC000594497922 349431366 /nfs/dbraw/zinc/43/13/66/349431366.db2.gz LJAUPFYYSVEMCX-ZUOKHONESA-N 0 3 292.448 2.734 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000597114826 350031831 /nfs/dbraw/zinc/03/18/31/350031831.db2.gz LLJNQPGVOOTODU-NVXWUHKLSA-N 0 3 299.418 2.880 20 30 CFEDHN C[C@@H](O)C1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596997625 350014606 /nfs/dbraw/zinc/01/46/06/350014606.db2.gz FKCOZBKJPOSVRY-CQSZACIVSA-N 0 3 284.403 2.835 20 30 CFEDHN CC(C)(C)CC(C)(C)NC(=O)[C@@H](N)CCCCC#N ZINC000594424376 349416630 /nfs/dbraw/zinc/41/66/30/349416630.db2.gz CDOXGVZSLWQOBH-LBPRGKRZSA-N 0 3 267.417 2.729 20 30 CFEDHN CC[C@H](CNC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000594425540 349416684 /nfs/dbraw/zinc/41/66/84/349416684.db2.gz KSHGYTOXZGTLTG-GDBMZVCRSA-N 0 3 287.407 2.708 20 30 CFEDHN C[C@@H](CCc1ccccc1)NC(=O)[C@@H](N)CCCCC#N ZINC000594424686 349416746 /nfs/dbraw/zinc/41/67/46/349416746.db2.gz IFIGTYFMXCAAAU-HOCLYGCPSA-N 0 3 287.407 2.535 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(Cl)c1 ZINC000594425390 349416912 /nfs/dbraw/zinc/41/69/12/349416912.db2.gz IAGJHIGEUWKYEM-RISCZKNCSA-N 0 3 293.798 2.928 20 30 CFEDHN CCc1cccc(C)c1NC(=O)[C@H](N)CCCCC#N ZINC000594424541 349417018 /nfs/dbraw/zinc/41/70/18/349417018.db2.gz FOVNZNDFRXFTHM-CQSZACIVSA-N 0 3 273.380 2.907 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccccc1Cl ZINC000594425178 349417040 /nfs/dbraw/zinc/41/70/40/349417040.db2.gz KJABBRDKGVYCEH-LLVKDONJSA-N 0 3 265.744 2.690 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(C)cc1 ZINC000594425149 349417255 /nfs/dbraw/zinc/41/72/55/349417255.db2.gz GBHAOADSTIHQOA-HZPDHXFCSA-N 0 3 287.407 2.974 20 30 CFEDHN CCCOc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594425826 349417561 /nfs/dbraw/zinc/41/75/61/349417561.db2.gz AKOGIYBIOARVOK-HNNXBMFYSA-N 0 3 289.379 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCc1cccc2ccccc21 ZINC000594426538 349417900 /nfs/dbraw/zinc/41/79/00/349417900.db2.gz DZSPLDXYWNRMHT-QGZVFWFLSA-N 0 3 295.386 2.867 20 30 CFEDHN CCCN(Cc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594426445 349418013 /nfs/dbraw/zinc/41/80/13/349418013.db2.gz RBCGPDCASGPZMJ-INIZCTEOSA-N 0 3 287.407 2.836 20 30 CFEDHN C[C@H](c1ccccc1F)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594427326 349418591 /nfs/dbraw/zinc/41/85/91/349418591.db2.gz IJHOQRFHWNJDPK-DOMZBBRYSA-N 0 3 291.370 2.756 20 30 CFEDHN Cc1cc(C)cc(N(C)C(=O)[C@@H](N)CCCCC#N)c1 ZINC000594429215 349420179 /nfs/dbraw/zinc/42/01/79/349420179.db2.gz RJDVTASQUYZMEF-HNNXBMFYSA-N 0 3 273.380 2.678 20 30 CFEDHN CC(C)C[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594433644 349420570 /nfs/dbraw/zinc/42/05/70/349420570.db2.gz QBCOUOBWXRMFOU-HUUCEWRRSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(C2CCCC2)CC1 ZINC000594432964 349420592 /nfs/dbraw/zinc/42/05/92/349420592.db2.gz HXCNCSMKHLYGAO-MRXNPFEDSA-N 0 3 291.439 2.826 20 30 CFEDHN CC(C)C[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594432671 349420630 /nfs/dbraw/zinc/42/06/30/349420630.db2.gz FXGYDJQKDQVRHY-CABCVRRESA-N 0 3 279.428 2.682 20 30 CFEDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H](N)CCCCC#N ZINC000594434588 349421632 /nfs/dbraw/zinc/42/16/32/349421632.db2.gz PULBSJCRVXFBLC-LXTVHRRPSA-N 0 3 277.412 2.577 20 30 CFEDHN C[C@H]1Cc2ccccc2N(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000594434275 349421678 /nfs/dbraw/zinc/42/16/78/349421678.db2.gz MBYLBJWOTLJFFY-ZFWWWQNUSA-N 0 3 285.391 2.623 20 30 CFEDHN CC(C)(C)CCCCNC(=O)[C@@H](N)CCCCC#N ZINC000594434977 349421782 /nfs/dbraw/zinc/42/17/82/349421782.db2.gz XWTLYWWHSKPMSO-ZDUSSCGKSA-N 0 3 267.417 2.730 20 30 CFEDHN C[C@H](CC#N)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000597131584 350035422 /nfs/dbraw/zinc/03/54/22/350035422.db2.gz AVWWYAGIOCMBOE-ZIAGYGMSSA-N 0 3 287.407 2.782 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC(C(F)(F)F)C1 ZINC000597312534 350081783 /nfs/dbraw/zinc/08/17/83/350081783.db2.gz LOQHTJGQEOUJRY-LBPRGKRZSA-N 0 3 296.292 2.780 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2ccccc2N2CCOCC2)C1 ZINC000597174572 350044644 /nfs/dbraw/zinc/04/46/44/350044644.db2.gz RFFMZNDDRBHADP-MRXNPFEDSA-N 0 3 299.418 2.649 20 30 CFEDHN COCCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000597175129 350044686 /nfs/dbraw/zinc/04/46/86/350044686.db2.gz XDRKFFZRPCFJHB-OAHLLOKOSA-N 0 3 288.391 2.837 20 30 CFEDHN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1ccc(C#N)s1 ZINC000597238804 350068354 /nfs/dbraw/zinc/06/83/54/350068354.db2.gz JEBLLXHKAJETQW-HIFRSBDPSA-N 0 3 292.404 2.831 20 30 CFEDHN CC1=CCN(CCNC(=O)CC2(C#N)CCCCC2)CC1 ZINC000597507480 350106846 /nfs/dbraw/zinc/10/68/46/350106846.db2.gz JUKHUSSKSXRJOO-UHFFFAOYSA-N 0 3 289.423 2.619 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C)CC#N ZINC000597344368 350086713 /nfs/dbraw/zinc/08/67/13/350086713.db2.gz MFFPTMBZSNMGSR-GFCCVEGCSA-N 0 3 259.353 2.545 20 30 CFEDHN C[C@@H](CC#N)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000597345048 350086843 /nfs/dbraw/zinc/08/68/43/350086843.db2.gz FAPQYHJORDDUCF-HNNXBMFYSA-N 0 3 299.418 2.659 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000597358712 350088721 /nfs/dbraw/zinc/08/87/21/350088721.db2.gz SGQHGKSPXBEJRX-BFYDXBDKSA-N 0 3 299.418 2.705 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000090883677 180052911 /nfs/dbraw/zinc/05/29/11/180052911.db2.gz JXFVIDNNBSIEIH-ZDUSSCGKSA-N 0 3 276.380 2.888 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000090883994 180053194 /nfs/dbraw/zinc/05/31/94/180053194.db2.gz QLWPIJWQKRQBBE-LBPRGKRZSA-N 0 3 263.337 2.659 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000597934332 350159791 /nfs/dbraw/zinc/15/97/91/350159791.db2.gz IMWHDIRCRKFDRZ-ZFWWWQNUSA-N 0 3 286.375 2.742 20 30 CFEDHN CC(C)c1ccc2c(c1)CN(C(=O)C(C)C#N)CC2 ZINC000597962385 350163740 /nfs/dbraw/zinc/16/37/40/350163740.db2.gz DXPYPMPXXYNWPZ-GFCCVEGCSA-N 0 3 256.349 2.854 20 30 CFEDHN C=CCCSCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000597973288 350167148 /nfs/dbraw/zinc/16/71/48/350167148.db2.gz YNNYVNOGGAKKBL-UHFFFAOYSA-N 0 3 292.448 2.787 20 30 CFEDHN N#CCC1CN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000598020664 350177492 /nfs/dbraw/zinc/17/74/92/350177492.db2.gz JOSWHQCRVGYDAT-UHFFFAOYSA-N 0 3 297.402 2.658 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334256 180136389 /nfs/dbraw/zinc/13/63/89/180136389.db2.gz AKIHDKINMMZJHQ-AWEZNQCLSA-N 0 3 298.434 2.874 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000598039504 350182303 /nfs/dbraw/zinc/18/23/03/350182303.db2.gz LADDNUIGVRKMFU-WCQYABFASA-N 0 3 258.321 2.883 20 30 CFEDHN C[C@@]1(CNC(=O)C(C#N)CCc2ccccc2)CC1(F)F ZINC000598215533 350216652 /nfs/dbraw/zinc/21/66/52/350216652.db2.gz MGLONGBHHDYEBG-ZFWWWQNUSA-N 0 3 292.329 2.920 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000132130015 539773905 /nfs/dbraw/zinc/77/39/05/539773905.db2.gz PQINEHCSBSOKLO-AEFFLSMTSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@@H]1CCN(CC2CC2)C1)c1ccccc1 ZINC000132129405 539774030 /nfs/dbraw/zinc/77/40/30/539774030.db2.gz PQINEHCSBSOKLO-FUHWJXTLSA-N 0 3 298.430 2.947 20 30 CFEDHN CCCN1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000598344094 350240879 /nfs/dbraw/zinc/24/08/79/350240879.db2.gz ZUCVKBMBZQPONW-SJORKVTESA-N 0 3 299.418 2.674 20 30 CFEDHN CCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)[C@H](C)C#N ZINC000598356169 350245903 /nfs/dbraw/zinc/24/59/03/350245903.db2.gz LPGPUKBQWFHBGR-WBVHZDCISA-N 0 3 299.418 2.659 20 30 CFEDHN CC12CC(C1)CN2C(=O)C(C#N)CCc1ccccc1 ZINC000598570823 350284359 /nfs/dbraw/zinc/28/43/59/350284359.db2.gz KFJVINNBXBRJKR-CKDBGZEDSA-N 0 3 268.360 2.770 20 30 CFEDHN CCCN(CC#CCOC)CCc1cccc(F)c1 ZINC000677818105 539790985 /nfs/dbraw/zinc/79/09/85/539790985.db2.gz VJQTZJVZKFWNDU-UHFFFAOYSA-N 0 3 263.356 2.730 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc2ccccc2o1 ZINC000598701394 350312548 /nfs/dbraw/zinc/31/25/48/350312548.db2.gz URODMTQKTYJIFY-CYBMUJFWSA-N 0 3 272.348 2.823 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCc2ccc(F)cc21 ZINC000598721937 350318518 /nfs/dbraw/zinc/31/85/18/350318518.db2.gz YCJOAQAZQLYILR-ZFWWWQNUSA-N 0 3 276.355 2.703 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@H]1c1ccccc1 ZINC000598591416 350288303 /nfs/dbraw/zinc/28/83/03/350288303.db2.gz AVWUOGOTRRJUHH-GJZGRUSLSA-N 0 3 258.365 2.734 20 30 CFEDHN CC[C@@](C)(NC[C@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598596828 350290076 /nfs/dbraw/zinc/29/00/76/350290076.db2.gz APVPZUZIOUDODN-IUODEOHRSA-N 0 3 295.452 2.967 20 30 CFEDHN C[C@H](c1cccc(O)c1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598596666 350290177 /nfs/dbraw/zinc/29/01/77/350290177.db2.gz SARLATRXQYNYQR-DOMZBBRYSA-N 0 3 276.380 2.686 20 30 CFEDHN C[C@@H]1COc2ccccc2CN1C[C@@H](O)CC(C)(C)C#N ZINC000598600935 350291290 /nfs/dbraw/zinc/29/12/90/350291290.db2.gz CCZLMCHGPKGNDS-HIFRSBDPSA-N 0 3 288.391 2.570 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2ccncc2)CC1 ZINC000598611491 350294026 /nfs/dbraw/zinc/29/40/26/350294026.db2.gz RWBYMVANRVZDDH-MRXNPFEDSA-N 0 3 287.407 2.562 20 30 CFEDHN CCN(Cc1occc1C)C[C@@H](O)CC(C)(C)C#N ZINC000598621326 350295505 /nfs/dbraw/zinc/29/55/05/350295505.db2.gz KLVCQORQWWJFEF-ZDUSSCGKSA-N 0 3 264.369 2.711 20 30 CFEDHN C[C@H](NCc1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000598894901 350345779 /nfs/dbraw/zinc/34/57/79/350345779.db2.gz IHIFDTBEABXWAU-KSSFIOAISA-N 0 3 294.402 2.734 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC[C@@H]1CC1(F)F ZINC000598908468 350346111 /nfs/dbraw/zinc/34/61/11/350346111.db2.gz DYXDKHOAPAOGPV-ZIAGYGMSSA-N 0 3 292.329 2.920 20 30 CFEDHN CC1(C)CN(C(=O)CC#N)C(C)(C)CN1Cc1ccccc1 ZINC000598912640 350346625 /nfs/dbraw/zinc/34/66/25/350346625.db2.gz GTZNCPXFBSQMFM-UHFFFAOYSA-N 0 3 299.418 2.802 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1Cc2cccnc2C1 ZINC000598933434 350347258 /nfs/dbraw/zinc/34/72/58/350347258.db2.gz SXQKFBDSRAAVRS-OAHLLOKOSA-N 0 3 291.354 2.696 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000598964662 350350359 /nfs/dbraw/zinc/35/03/59/350350359.db2.gz LVNSXHPNCSYNDT-OAHLLOKOSA-N 0 3 287.407 2.735 20 30 CFEDHN COc1ccc(CNCCCC#N)cc1OC1CC1 ZINC000598971790 350351644 /nfs/dbraw/zinc/35/16/44/350351644.db2.gz FJXIOZLFEZMUJK-UHFFFAOYSA-N 0 3 260.337 2.630 20 30 CFEDHN Cc1cccc2c1C[C@@H](NCc1cccc(C#N)c1)CO2 ZINC000598985976 350354085 /nfs/dbraw/zinc/35/40/85/350354085.db2.gz BYSOIRZVSOTHBC-MRXNPFEDSA-N 0 3 278.355 2.960 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3CO2)s1 ZINC000598990057 350355588 /nfs/dbraw/zinc/35/55/88/350355588.db2.gz ZVIOCCDBEJFXGI-AWEZNQCLSA-N 0 3 284.384 2.851 20 30 CFEDHN CC1(C)CCC[C@](CO)(NCc2ccccc2C#N)C1 ZINC000598995425 350356278 /nfs/dbraw/zinc/35/62/78/350356278.db2.gz VFGCQJYOPRZLIR-KRWDZBQOSA-N 0 3 272.392 2.979 20 30 CFEDHN CC[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(C#N)cc1 ZINC000599094673 350375272 /nfs/dbraw/zinc/37/52/72/350375272.db2.gz XNIPBCNRYNLWBV-SJORKVTESA-N 0 3 297.402 2.752 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000599146243 350384682 /nfs/dbraw/zinc/38/46/82/350384682.db2.gz DOYPKCPXMCLBNU-AWEZNQCLSA-N 0 3 293.455 2.943 20 30 CFEDHN Cc1ccc(CN2CCN(C)C[C@@H]2C(C)C)cc1C#N ZINC000599427340 350434778 /nfs/dbraw/zinc/43/47/78/350434778.db2.gz NARMJHVLUMZNET-QGZVFWFLSA-N 0 3 271.408 2.639 20 30 CFEDHN Cc1ccc(CN2CCCC[C@H]2C2(O)CC2)cc1C#N ZINC000599437827 350438457 /nfs/dbraw/zinc/43/84/57/350438457.db2.gz RPYZLECAVAVFPA-INIZCTEOSA-N 0 3 270.376 2.746 20 30 CFEDHN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599344189 350419546 /nfs/dbraw/zinc/41/95/46/350419546.db2.gz ADZQSUFCGVBIQQ-JQWIXIFHSA-N 0 3 280.318 2.670 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](O)CC1(C#N)CC1 ZINC000599350432 350420353 /nfs/dbraw/zinc/42/03/53/350420353.db2.gz SGARPBMKDYDANI-KGLIPLIRSA-N 0 3 288.391 2.709 20 30 CFEDHN Cc1ccc(CN(C)C[C@H]2CCCC[C@H]2O)cc1C#N ZINC000599366117 350424561 /nfs/dbraw/zinc/42/45/61/350424561.db2.gz KNNSZXPVTMOJAR-NVXWUHKLSA-N 0 3 272.392 2.850 20 30 CFEDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599416593 350432865 /nfs/dbraw/zinc/43/28/65/350432865.db2.gz GTTDXRUGQLATJR-QGZVFWFLSA-N 0 3 299.418 2.747 20 30 CFEDHN CCn1cnnc1C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000105929400 186091763 /nfs/dbraw/zinc/09/17/63/186091763.db2.gz WCUBPAJQNVAZEF-UHFFFAOYSA-N 0 3 295.390 2.549 20 30 CFEDHN C=CC[C@H]1CCN(CC[S@](=O)c2ccccc2)C1 ZINC000599526100 350450690 /nfs/dbraw/zinc/45/06/90/350450690.db2.gz DSMPLFBQVMFTAD-KSSFIOAISA-N 0 3 263.406 2.692 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000599526647 350450722 /nfs/dbraw/zinc/45/07/22/350450722.db2.gz ONOJTBSWQHVKNO-GFCCVEGCSA-N 0 3 263.337 2.773 20 30 CFEDHN N#CC1(C[C@H](O)CN[C@H](c2ccccn2)C2CCC2)CC1 ZINC000599573413 350459054 /nfs/dbraw/zinc/45/90/54/350459054.db2.gz HBZIGXOXISFXOG-HOCLYGCPSA-N 0 3 285.391 2.567 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000599574148 350459078 /nfs/dbraw/zinc/45/90/78/350459078.db2.gz PJIXRBVLAIWKNE-GDBMZVCRSA-N 0 3 287.407 2.813 20 30 CFEDHN C[C@@H]1CN(CCCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583214 350459507 /nfs/dbraw/zinc/45/95/07/350459507.db2.gz QNDWNAOQAZXHRS-CHWSQXEVSA-N 0 3 266.385 2.590 20 30 CFEDHN C=CCC1(NCc2cnc(C(=O)OC)cn2)CCCCC1 ZINC000599609960 350464090 /nfs/dbraw/zinc/46/40/90/350464090.db2.gz NRKDGLSSXMNGHT-UHFFFAOYSA-N 0 3 289.379 2.632 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](C)[C@H]2CCO)cc1C#N ZINC000599465264 350441711 /nfs/dbraw/zinc/44/17/11/350441711.db2.gz DSBWNRJBBVWGNI-WMLDXEAASA-N 0 3 272.392 2.850 20 30 CFEDHN CCC(O)(CC)CN(C)Cc1ccc(F)c(C#N)c1 ZINC000599673913 350478876 /nfs/dbraw/zinc/47/88/76/350478876.db2.gz VTUQAXKKQITBQF-UHFFFAOYSA-N 0 3 264.344 2.680 20 30 CFEDHN C=CC(C)(C)CCNCc1ccc(C(=O)OC)o1 ZINC000600185734 350534169 /nfs/dbraw/zinc/53/41/69/350534169.db2.gz ZQDRHALEAUYMEC-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cnc3ccccc3n2)C1 ZINC000600161642 350525231 /nfs/dbraw/zinc/52/52/31/350525231.db2.gz KSPFUVKHTJADAK-STQMWFEESA-N 0 3 266.348 2.802 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](c3ccc(O)cc3)C2)o1 ZINC000600213483 350541249 /nfs/dbraw/zinc/54/12/49/350541249.db2.gz HESHWJHVKSKMFY-CYBMUJFWSA-N 0 3 268.316 2.846 20 30 CFEDHN CSc1ccc(F)cc1CNC[C@H](O)CC1(C#N)CC1 ZINC000600727845 350602393 /nfs/dbraw/zinc/60/23/93/350602393.db2.gz KQWBGPPXJNVODQ-CYBMUJFWSA-N 0 3 294.395 2.692 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2coc3ccccc23)CC1 ZINC000600723721 350602415 /nfs/dbraw/zinc/60/24/15/350602415.db2.gz DRGBDBWWBPYIME-ZDUSSCGKSA-N 0 3 270.332 2.577 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CN(C)C1CCC1 ZINC000600817708 350617129 /nfs/dbraw/zinc/61/71/29/350617129.db2.gz TXXCJWUEKWRVBD-UHFFFAOYSA-N 0 3 297.402 2.557 20 30 CFEDHN N#CC1(CNC[C@@H](O)CC2CCCC2)CCCCC1 ZINC000600758256 350606417 /nfs/dbraw/zinc/60/64/17/350606417.db2.gz XPNPBTNPEGDNMI-HNNXBMFYSA-N 0 3 264.413 2.991 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](CCc1ccccc1)C(F)F ZINC000600793817 350613723 /nfs/dbraw/zinc/61/37/23/350613723.db2.gz PJJVAMRTXYVWKV-DGCLKSJQSA-N 0 3 280.318 2.871 20 30 CFEDHN CN(c1ncc(C#N)c2ccsc21)[C@@H]1CCCN(C)C1 ZINC000601119110 350673179 /nfs/dbraw/zinc/67/31/79/350673179.db2.gz MUAUNMYTABZEDR-GFCCVEGCSA-N 0 3 286.404 2.698 20 30 CFEDHN C=CCCSCCNCc1c2c(nn1C)CCCC2 ZINC000601131672 350677764 /nfs/dbraw/zinc/67/77/64/350677764.db2.gz OQGJYKOVHPMVBP-UHFFFAOYSA-N 0 3 279.453 2.698 20 30 CFEDHN CC(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)[C@H](O)C(F)(F)F ZINC000601301140 350719847 /nfs/dbraw/zinc/71/98/47/350719847.db2.gz RZRNRMIVKLFNIU-BJDJZHNGSA-N 0 3 278.318 2.606 20 30 CFEDHN CC[C@@H](Cc1ccccc1)N1CCN(CCC#N)CC1 ZINC000601314670 350721688 /nfs/dbraw/zinc/72/16/88/350721688.db2.gz NHGZTZXKROAJRI-KRWDZBQOSA-N 0 3 271.408 2.539 20 30 CFEDHN C[C@H](CCc1cccc(F)c1)N1CCN(CCC#N)CC1 ZINC000601315651 350722160 /nfs/dbraw/zinc/72/21/60/350722160.db2.gz MZQNOCDEJUJRBF-OAHLLOKOSA-N 0 3 289.398 2.678 20 30 CFEDHN C[C@@H](Cc1ccncc1)NCc1cccc(F)c1C#N ZINC000602010769 350830311 /nfs/dbraw/zinc/83/03/11/350830311.db2.gz DEKDKJWHTZEHOM-LBPRGKRZSA-N 0 3 269.323 2.813 20 30 CFEDHN C[C@@H]1C[C@H](CNCc2cccc(F)c2C#N)CCO1 ZINC000602014467 350831253 /nfs/dbraw/zinc/83/12/53/350831253.db2.gz DSYZUULRWLKQEO-VXGBXAGGSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H]1C[C@H](CCNCc2cccc(F)c2C#N)CCO1 ZINC000602014802 350831441 /nfs/dbraw/zinc/83/14/41/350831441.db2.gz GOVNRCLGGJYFIU-CHWSQXEVSA-N 0 3 276.355 2.992 20 30 CFEDHN C[C@H](CCO)C1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602015234 350832260 /nfs/dbraw/zinc/83/22/60/350832260.db2.gz KBLSFXSXFWJEHI-CYBMUJFWSA-N 0 3 290.382 2.976 20 30 CFEDHN N#CC[C@@H]1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602025987 350834846 /nfs/dbraw/zinc/83/48/46/350834846.db2.gz SYPDPEIHDPDPDZ-AAEUAGOBSA-N 0 3 257.312 2.869 20 30 CFEDHN CC1CCN(CCNCc2cccc(F)c2C#N)CC1 ZINC000602002138 350827410 /nfs/dbraw/zinc/82/74/10/350827410.db2.gz BKXXKIGLOODYBD-UHFFFAOYSA-N 0 3 275.371 2.519 20 30 CFEDHN CC[C@@H](CNCc1cccc(F)c1C#N)N1CCCC1 ZINC000602007808 350828873 /nfs/dbraw/zinc/82/88/73/350828873.db2.gz YDMOHCLWDGYINX-AWEZNQCLSA-N 0 3 275.371 2.661 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1ccccc1 ZINC000602499688 350906160 /nfs/dbraw/zinc/90/61/60/350906160.db2.gz SNGTVYNIHWUZRB-AWEZNQCLSA-N 0 3 258.365 2.875 20 30 CFEDHN COc1cc(OC)c(OC)cc1CNC[C@H](C)CCC#N ZINC000602503572 350907559 /nfs/dbraw/zinc/90/75/59/350907559.db2.gz LVDHHELKBOREKO-GFCCVEGCSA-N 0 3 292.379 2.742 20 30 CFEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(C#N)c1 ZINC000602507743 350908747 /nfs/dbraw/zinc/90/87/47/350908747.db2.gz HPCMHPLYBWVRPB-AWEZNQCLSA-N 0 3 283.375 2.747 20 30 CFEDHN COc1ccccc1C1(CNCc2cccc(C#N)n2)CC1 ZINC000602528396 350915223 /nfs/dbraw/zinc/91/52/23/350915223.db2.gz AOZJWAAZCJNURU-UHFFFAOYSA-N 0 3 293.370 2.783 20 30 CFEDHN Cc1cccc(CCNCc2cccc(C#N)n2)c1 ZINC000602530318 350915983 /nfs/dbraw/zinc/91/59/83/350915983.db2.gz RRFXLJXTMPGQLM-UHFFFAOYSA-N 0 3 251.333 2.594 20 30 CFEDHN COc1nc(C)cc(C)c1CNC[C@H](C)CCC#N ZINC000602533598 350916715 /nfs/dbraw/zinc/91/67/15/350916715.db2.gz OWWOQEFYQOHKCW-LLVKDONJSA-N 0 3 261.369 2.737 20 30 CFEDHN N#Cc1cccc(CNCC2(c3cccc(F)c3)CC2)n1 ZINC000602551018 350921100 /nfs/dbraw/zinc/92/11/00/350921100.db2.gz BFYUKUUOECXKSR-UHFFFAOYSA-N 0 3 281.334 2.914 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCOC3(CCCC3)C2)n1 ZINC000602567100 350927509 /nfs/dbraw/zinc/92/75/09/350927509.db2.gz HOUWAJGYNLILCI-CYBMUJFWSA-N 0 3 271.364 2.535 20 30 CFEDHN CC(C)(CNCc1cccc(C#N)n1)[C@H]1CCCCO1 ZINC000602571325 350928671 /nfs/dbraw/zinc/92/86/71/350928671.db2.gz ZWDNAUKOKHDQMV-OAHLLOKOSA-N 0 3 273.380 2.638 20 30 CFEDHN CCC1(CC)[C@H](NCc2cccc(C#N)n2)C[C@H]1OC ZINC000602572893 350929501 /nfs/dbraw/zinc/92/95/01/350929501.db2.gz UOJHJYDJSBZVGE-HUUCEWRRSA-N 0 3 273.380 2.637 20 30 CFEDHN CC[C@](C)(CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602580202 350932829 /nfs/dbraw/zinc/93/28/29/350932829.db2.gz FCKGPIJXEIDGEB-OAHLLOKOSA-N 0 3 258.365 2.952 20 30 CFEDHN CC(C)(C)[C@H]1C[C@@H](NCc2cccc(C#N)n2)CCO1 ZINC000602580109 350932852 /nfs/dbraw/zinc/93/28/52/350932852.db2.gz NBAKSLBZACYOQU-SWLSCSKDSA-N 0 3 273.380 2.637 20 30 CFEDHN CCC1(CC)[C@H](NCc2cccc(C#N)n2)[C@@H](C)[C@H]1OC ZINC000602582817 350934366 /nfs/dbraw/zinc/93/43/66/350934366.db2.gz OWWOQEVXRHHLBQ-DAXOMENPSA-N 0 3 287.407 2.883 20 30 CFEDHN CC(C)[C@H](NC[C@H](C)CCC#N)c1nnc2ccccn21 ZINC000602586249 350936667 /nfs/dbraw/zinc/93/66/67/350936667.db2.gz NZZAYDHBUJOVLB-HIFRSBDPSA-N 0 3 285.395 2.956 20 30 CFEDHN CCC(C#N)(CC)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000602432890 350880274 /nfs/dbraw/zinc/88/02/74/350880274.db2.gz IIKLCHMFAVYDOW-UHFFFAOYSA-N 0 3 271.364 2.601 20 30 CFEDHN COc1cccc(N2CCN(C[C@@H](C)CCC#N)CC2)c1 ZINC000602434663 350880344 /nfs/dbraw/zinc/88/03/44/350880344.db2.gz PTQGAAPOSVMQBA-HNNXBMFYSA-N 0 3 287.407 2.757 20 30 CFEDHN CCOc1ccc(C#N)cc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000602591804 350938277 /nfs/dbraw/zinc/93/82/77/350938277.db2.gz MXWBJVRTXKBLKV-TZMCWYRMSA-N 0 3 273.380 2.852 20 30 CFEDHN C[C@@H](CCC#N)CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000602446240 350886106 /nfs/dbraw/zinc/88/61/06/350886106.db2.gz ZMZIFCDWCJKRTB-RYUDHWBXSA-N 0 3 278.318 2.970 20 30 CFEDHN N#Cc1cccc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000602449677 350888480 /nfs/dbraw/zinc/88/84/80/350888480.db2.gz QMXVRYVLADCDEN-HFZWIWRYSA-N 0 3 267.376 2.964 20 30 CFEDHN C[C@@H](CCC#N)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000602464063 350891210 /nfs/dbraw/zinc/89/12/10/350891210.db2.gz IQOXOZRVUCOKGJ-HOCLYGCPSA-N 0 3 285.391 2.664 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000602466533 350892061 /nfs/dbraw/zinc/89/20/61/350892061.db2.gz AOMLMABOTINHJX-HOTGVXAUSA-N 0 3 286.423 2.700 20 30 CFEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1C[C@H](C)CCC#N ZINC000602475801 350897555 /nfs/dbraw/zinc/89/75/55/350897555.db2.gz KSJJZPBFHIFZAE-FVQBIDKESA-N 0 3 279.428 2.648 20 30 CFEDHN CCC[C@H](CN1CCC(C#N)(c2ccccn2)CC1)OC ZINC000602651564 350961926 /nfs/dbraw/zinc/96/19/26/350961926.db2.gz JQFFLWDHFUMJRV-OAHLLOKOSA-N 0 3 287.407 2.754 20 30 CFEDHN CCOC(=O)c1ccc(CNC2CCC(C#N)CC2)o1 ZINC000602656823 350963305 /nfs/dbraw/zinc/96/33/05/350963305.db2.gz OHJFDJUSZPTTBW-UHFFFAOYSA-N 0 3 276.336 2.628 20 30 CFEDHN COc1cc(CNCC2CCC(C#N)CC2)sn1 ZINC000602657768 350963780 /nfs/dbraw/zinc/96/37/80/350963780.db2.gz SNOVARUXASLMGU-UHFFFAOYSA-N 0 3 265.382 2.571 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000602659713 350964886 /nfs/dbraw/zinc/96/48/86/350964886.db2.gz VUSXLGNWBICHRK-CQSZACIVSA-N 0 3 264.756 2.726 20 30 CFEDHN C[C@@H](CCC#N)CNc1cccc(CN2CC[C@@H](O)C2)c1 ZINC000602677001 350973820 /nfs/dbraw/zinc/97/38/20/350973820.db2.gz PHSYCOUAGKNJIV-WMLDXEAASA-N 0 3 287.407 2.605 20 30 CFEDHN CO[C@](C)(CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602677279 350974033 /nfs/dbraw/zinc/97/40/33/350974033.db2.gz XENKVEZVHSDDFB-QGZVFWFLSA-N 0 3 281.359 2.605 20 30 CFEDHN COc1cc(F)cc(C[C@@H](C)NCc2cccc(C#N)n2)c1 ZINC000602685981 350978794 /nfs/dbraw/zinc/97/87/94/350978794.db2.gz MULAJQMDTWMGJK-GFCCVEGCSA-N 0 3 299.349 2.822 20 30 CFEDHN COc1cccc([C@@H]2C[C@H]2CNCc2cccc(C#N)n2)c1 ZINC000602695057 350982784 /nfs/dbraw/zinc/98/27/84/350982784.db2.gz WBARWDBXBPXFBY-KSSFIOAISA-N 0 3 293.370 2.855 20 30 CFEDHN COC1(C(F)(F)F)CCN(C[C@@H](C)CCC#N)CC1 ZINC000602696534 350983918 /nfs/dbraw/zinc/98/39/18/350983918.db2.gz RMHZBZIVNQEYDP-NSHDSACASA-N 0 3 278.318 2.970 20 30 CFEDHN CS[C@@H]1CCCC[C@H]1NCc1cccc(C#N)n1 ZINC000602700297 350985531 /nfs/dbraw/zinc/98/55/31/350985531.db2.gz QJZBLCJUDFBIGL-ZIAGYGMSSA-N 0 3 261.394 2.717 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](c1ccccc1F)[C@H](C)O ZINC000602700389 350986741 /nfs/dbraw/zinc/98/67/41/350986741.db2.gz UAOFSQNXVMNNLI-XUJVJEKNSA-N 0 3 264.344 2.777 20 30 CFEDHN N#CC1(CN[C@@H]2CCc3cccnc3CC2)CCC1 ZINC000602700935 350986808 /nfs/dbraw/zinc/98/68/08/350986808.db2.gz XVJFZGMIDBCOHK-CQSZACIVSA-N 0 3 255.365 2.612 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)n1 ZINC000602711032 350993011 /nfs/dbraw/zinc/99/30/11/350993011.db2.gz NOUXPPFOTNYNEN-YJBOKZPZSA-N 0 3 293.370 2.616 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000602711294 350993866 /nfs/dbraw/zinc/99/38/66/350993866.db2.gz IVEBHQZXMFERET-FUHWJXTLSA-N 0 3 285.435 2.785 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000602711292 350993994 /nfs/dbraw/zinc/99/39/94/350993994.db2.gz IVEBHQZXMFERET-AEFFLSMTSA-N 0 3 285.435 2.785 20 30 CFEDHN COCC1(CNCC2(C#N)CCCCC2)CCC1 ZINC000602718186 350998107 /nfs/dbraw/zinc/99/81/07/350998107.db2.gz QRTQHDOUIPHLAG-UHFFFAOYSA-N 0 3 250.386 2.867 20 30 CFEDHN COC(=O)[C@H]1CN(C[C@@H](C)CCC#N)Cc2ccccc21 ZINC000602729372 351003392 /nfs/dbraw/zinc/00/33/92/351003392.db2.gz JKFJAODBPFBLAU-BBRMVZONSA-N 0 3 286.375 2.699 20 30 CFEDHN C[C@H](CCC#N)CNc1cnn(C2CCN(C)CC2)c1 ZINC000602731143 351003754 /nfs/dbraw/zinc/00/37/54/351003754.db2.gz JOWUAEXUDPXXRM-CYBMUJFWSA-N 0 3 275.400 2.502 20 30 CFEDHN COc1ccc2c(c1)CC[C@H](NCc1cccc(C#N)n1)C2 ZINC000602607340 350943643 /nfs/dbraw/zinc/94/36/43/350943643.db2.gz INJPPUIGIDLCLY-HNNXBMFYSA-N 0 3 293.370 2.609 20 30 CFEDHN C[C@@H](CCC#N)CNC1(C(=O)Nc2ccccc2)CC1 ZINC000602625505 350951962 /nfs/dbraw/zinc/95/19/62/350951962.db2.gz QNMIFFCZPHZTBV-ZDUSSCGKSA-N 0 3 271.364 2.687 20 30 CFEDHN CCN(C[C@@H]1CCc2ncnn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000602765559 351017274 /nfs/dbraw/zinc/01/72/74/351017274.db2.gz VJDPNHXVSMOAMU-BBRMVZONSA-N 0 3 295.390 2.720 20 30 CFEDHN N#CCC1(CN2CCC(c3cccnc3)CC2)CC1 ZINC000602795190 351028445 /nfs/dbraw/zinc/02/84/45/351028445.db2.gz ADXOWBBKTMSGGR-UHFFFAOYSA-N 0 3 255.365 2.955 20 30 CFEDHN C[C@@H]1CN(CCC2=CCCCC2)C[C@@H](C)N1CC#N ZINC000602851920 351045094 /nfs/dbraw/zinc/04/50/94/351045094.db2.gz YIMDCPZPKGVJCZ-HUUCEWRRSA-N 0 3 261.413 2.795 20 30 CFEDHN C[C@@H]1CN(CCC2CCCCC2)C[C@H](C)N1CC#N ZINC000602855997 351046964 /nfs/dbraw/zinc/04/69/64/351046964.db2.gz XPLFSMNJULLYGW-GASCZTMLSA-N 0 3 263.429 2.875 20 30 CFEDHN CCc1ccc(CCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855562 351047611 /nfs/dbraw/zinc/04/76/11/351047611.db2.gz ICLFJBZNVNNJQQ-IYBDPMFKSA-N 0 3 285.435 2.710 20 30 CFEDHN C[C@H](CN1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccccc1 ZINC000602858514 351047669 /nfs/dbraw/zinc/04/76/69/351047669.db2.gz SMKJHZMXSWOFLT-BZUAXINKSA-N 0 3 271.408 2.708 20 30 CFEDHN CC(C)CCO[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602908506 351063199 /nfs/dbraw/zinc/06/31/99/351063199.db2.gz VGVAUDQBUOSZFV-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCC[C@@H](C)NCc1cc(C)c(C(=O)OC)o1 ZINC000602743169 351012209 /nfs/dbraw/zinc/01/22/09/351012209.db2.gz JDADQLZADJUFQW-LLVKDONJSA-N 0 3 251.326 2.819 20 30 CFEDHN CC1=C[C@@H](C)C[C@H](CN2CCN(CCC#N)CC2)C1 ZINC000602747891 351013189 /nfs/dbraw/zinc/01/31/89/351013189.db2.gz IBHLULMLPZBQMZ-ZBFHGGJFSA-N 0 3 261.413 2.510 20 30 CFEDHN C[C@H](CCc1ccccc1)CN1CCN(CCC#N)CC1 ZINC000602749108 351013702 /nfs/dbraw/zinc/01/37/02/351013702.db2.gz XZHAMUFUMRCTOJ-QGZVFWFLSA-N 0 3 285.435 2.787 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(c2cccc(F)c2)CC1 ZINC000602751302 351014060 /nfs/dbraw/zinc/01/40/60/351014060.db2.gz GFODBZMPOXXWTI-AWEZNQCLSA-N 0 3 275.371 2.888 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)n1cc([C@H](N)C(C)(C)C)nn1 ZINC000603231740 351122926 /nfs/dbraw/zinc/12/29/26/351122926.db2.gz BTIZGHALUPWCLK-ABAIWWIYSA-N 0 3 283.379 2.805 20 30 CFEDHN CC[C@](C)(NCCOCCC#N)c1ccc(F)cc1 ZINC000602924217 351068122 /nfs/dbraw/zinc/06/81/22/351068122.db2.gz MHXVBCPIXJYZSP-HNNXBMFYSA-N 0 3 264.344 2.971 20 30 CFEDHN CN(CCCC1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602979924 351081002 /nfs/dbraw/zinc/08/10/02/351081002.db2.gz JEKJRLINGBORCC-LSDHHAIUSA-N 0 3 250.386 2.817 20 30 CFEDHN CC[C@@]1(O)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000602983545 351085183 /nfs/dbraw/zinc/08/51/83/351085183.db2.gz MVBLSXBRNYWSFY-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN CC1(F)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000602992377 351086757 /nfs/dbraw/zinc/08/67/57/351086757.db2.gz QEDUISFIRIINKV-UHFFFAOYSA-N 0 3 262.328 2.761 20 30 CFEDHN C=C(CC)CN1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603000751 351089003 /nfs/dbraw/zinc/08/90/03/351089003.db2.gz NTGQRAQABBOWHC-UHFFFAOYSA-N 0 3 278.352 2.607 20 30 CFEDHN CCC[C@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603250916 351125008 /nfs/dbraw/zinc/12/50/08/351125008.db2.gz PUZLAMPEJKMPSM-HNNXBMFYSA-N 0 3 297.406 2.927 20 30 CFEDHN C=CCCCN(C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000605877276 351257171 /nfs/dbraw/zinc/25/71/71/351257171.db2.gz FGHMNUFLUWEWRP-GJZGRUSLSA-N 0 3 281.444 2.857 20 30 CFEDHN CC#CCN1CCCN(Cc2ccccc2C)CC1 ZINC000607726580 351356642 /nfs/dbraw/zinc/35/66/42/351356642.db2.gz XTMUBGZWAMEINW-UHFFFAOYSA-N 0 3 256.393 2.526 20 30 CFEDHN C[C@H](C[C@H]1CCOC1)NCc1ccc(C#N)cc1F ZINC000610812777 351611351 /nfs/dbraw/zinc/61/13/51/351611351.db2.gz QLAZQLLGMZLYLT-DGCLKSJQSA-N 0 3 262.328 2.602 20 30 CFEDHN CC1(C)CN(CCCSCC#N)C(C)(C)CO1 ZINC000610409869 351564037 /nfs/dbraw/zinc/56/40/37/351564037.db2.gz NONLGUYUEHUCCL-UHFFFAOYSA-N 0 3 256.415 2.523 20 30 CFEDHN CC[C@@H](NC1CCN(CC#N)CC1)c1cc(F)ccc1F ZINC000610812673 351611690 /nfs/dbraw/zinc/61/16/90/351611690.db2.gz HUDAALRFDBAXBL-MRXNPFEDSA-N 0 3 293.361 2.993 20 30 CFEDHN COc1ccc(C)cc1[C@H](C)NC1CCN(CC#N)CC1 ZINC000610813483 351611729 /nfs/dbraw/zinc/61/17/29/351611729.db2.gz IMWOTQJVWAQXJX-AWEZNQCLSA-N 0 3 287.407 2.642 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cc(C#N)cs1 ZINC000610488782 351569539 /nfs/dbraw/zinc/56/95/39/351569539.db2.gz SNCUKTMJAYBEIO-WBMJQRKESA-N 0 3 286.400 2.874 20 30 CFEDHN COC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)c[nH]1 ZINC000610652190 351588110 /nfs/dbraw/zinc/58/81/10/351588110.db2.gz ZYXFRYOQYOEHLO-NSHDSACASA-N 0 3 283.331 2.524 20 30 CFEDHN CCN(CC)C(=O)C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610830065 351613038 /nfs/dbraw/zinc/61/30/38/351613038.db2.gz AZGMMVDQVGOJDL-KBPBESRZSA-N 0 3 287.407 2.856 20 30 CFEDHN CN(CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC000610392449 351562738 /nfs/dbraw/zinc/56/27/38/351562738.db2.gz IVSNMNSYJBSUGO-UHFFFAOYSA-N 0 3 297.402 2.534 20 30 CFEDHN CCN1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000611092386 351640176 /nfs/dbraw/zinc/64/01/76/351640176.db2.gz RYZLGDRNUPFEQT-KGLIPLIRSA-N 0 3 257.381 2.645 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000611140300 351644422 /nfs/dbraw/zinc/64/44/22/351644422.db2.gz LMIBKXPHLAMTQJ-MRXNPFEDSA-N 0 3 256.349 2.725 20 30 CFEDHN COc1ccc(CN2CCC3(CCOC3)CC2)cc1C#N ZINC000611178413 351647598 /nfs/dbraw/zinc/64/75/98/351647598.db2.gz WFGBULNVUCYPIK-UHFFFAOYSA-N 0 3 286.375 2.569 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc(C#N)cc1F ZINC000610946919 351623360 /nfs/dbraw/zinc/62/33/60/351623360.db2.gz ALZJACNOKLEHIG-ACJLOTCBSA-N 0 3 298.361 2.952 20 30 CFEDHN C[C@@H]1COCCCN1Cc1cccc(OCCCC#N)c1 ZINC000611272393 351662695 /nfs/dbraw/zinc/66/26/95/351662695.db2.gz GRRCZMIJHJCWQR-OAHLLOKOSA-N 0 3 288.391 2.980 20 30 CFEDHN N#CCC[C@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1 ZINC000610972158 351626871 /nfs/dbraw/zinc/62/68/71/351626871.db2.gz DMNNHSIDNJWSOV-HOCLYGCPSA-N 0 3 295.390 2.559 20 30 CFEDHN C[C@@H](NCCC(=O)N1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000611386110 351678127 /nfs/dbraw/zinc/67/81/27/351678127.db2.gz CQRMKAPEVIJSLN-UONOGXRCSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@@H](NCCC(=O)N1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000611386111 351678224 /nfs/dbraw/zinc/67/82/24/351678224.db2.gz CQRMKAPEVIJSLN-ZIAGYGMSSA-N 0 3 285.391 2.610 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391619 351680494 /nfs/dbraw/zinc/68/04/94/351680494.db2.gz HSTUZFLJGDWJCY-GUYCJALGSA-N 0 3 299.418 2.830 20 30 CFEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)C(=O)NC(C)(C)C ZINC000611392586 351680515 /nfs/dbraw/zinc/68/05/15/351680515.db2.gz WTVCQRZYEZXOCT-LRDDRELGSA-N 0 3 299.418 2.828 20 30 CFEDHN CC(C)N1C[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000611394803 351682438 /nfs/dbraw/zinc/68/24/38/351682438.db2.gz FPCKQDFZSWMYPR-DOTOQJQBSA-N 0 3 297.402 2.535 20 30 CFEDHN Cc1noc(C)c1[C@H](C)NCCCSCC#N ZINC000611409072 351684182 /nfs/dbraw/zinc/68/41/82/351684182.db2.gz JOBOYRZUTIJAKY-VIFPVBQESA-N 0 3 253.371 2.589 20 30 CFEDHN CC(C)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550536 351707646 /nfs/dbraw/zinc/70/76/46/351707646.db2.gz GEVAZDWLNOHCBP-MRXNPFEDSA-N 0 3 275.371 2.664 20 30 CFEDHN CCN1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C ZINC000611305572 351666918 /nfs/dbraw/zinc/66/69/18/351666918.db2.gz KFMRRZXJXJOZFV-ZDUSSCGKSA-N 0 3 280.375 2.637 20 30 CFEDHN C=C(CNC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000291867366 198089611 /nfs/dbraw/zinc/08/96/11/198089611.db2.gz NIQZXENANPKUPN-UHFFFAOYSA-N 0 3 272.392 2.548 20 30 CFEDHN N#Cc1ccc(CNCC2CC(F)(F)C2)c(F)c1 ZINC000291756656 198081817 /nfs/dbraw/zinc/08/18/17/198081817.db2.gz QUGHMBOCASBJGY-UHFFFAOYSA-N 0 3 254.255 2.832 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000123774673 187108615 /nfs/dbraw/zinc/10/86/15/187108615.db2.gz KGISLRGWLKTXJR-CZUORRHYSA-N 0 3 258.365 2.684 20 30 CFEDHN C=CCCCS(=O)(=O)Nc1cc(CN(C)C)ccc1C ZINC000291937541 198111421 /nfs/dbraw/zinc/11/14/21/198111421.db2.gz XOVBIGSGSJZCGR-UHFFFAOYSA-N 0 3 296.436 2.765 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCC[C@](C)(O)C2)cc1 ZINC000614176899 352057281 /nfs/dbraw/zinc/05/72/81/352057281.db2.gz TXMIFGSMSNNHGE-KRWDZBQOSA-N 0 3 272.392 2.835 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000614403661 352090307 /nfs/dbraw/zinc/09/03/07/352090307.db2.gz OXFVEFJFPJJXOO-INIZCTEOSA-N 0 3 280.375 2.969 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000614420523 352093256 /nfs/dbraw/zinc/09/32/56/352093256.db2.gz YPECMELDFFGCKC-INIZCTEOSA-N 0 3 295.390 2.526 20 30 CFEDHN CCn1ccc(CN(C)CCOc2cccc(C#N)c2)c1 ZINC000616135404 352288001 /nfs/dbraw/zinc/28/80/01/352288001.db2.gz PUAXDTQJIWAOEY-UHFFFAOYSA-N 0 3 283.375 2.890 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000617347997 352547437 /nfs/dbraw/zinc/54/74/37/352547437.db2.gz XSSBDJGHUNSIHN-AWEZNQCLSA-N 0 3 264.413 2.744 20 30 CFEDHN C=CCCOCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000292099757 198163364 /nfs/dbraw/zinc/16/33/64/198163364.db2.gz JKVDNUSKXLYGLP-AWEZNQCLSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCCOCC[NH2+][C@H](c1nnc[n-]1)C1CCCCC1 ZINC000292099757 198163365 /nfs/dbraw/zinc/16/33/65/198163365.db2.gz JKVDNUSKXLYGLP-AWEZNQCLSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCCOCCN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292099757 198163366 /nfs/dbraw/zinc/16/33/66/198163366.db2.gz JKVDNUSKXLYGLP-AWEZNQCLSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCOc1ccccc1CN1CCCOC[C@@H]1C ZINC000678272082 539913351 /nfs/dbraw/zinc/91/33/51/539913351.db2.gz BEQOZDSFDWELKF-AWEZNQCLSA-N 0 3 261.365 2.862 20 30 CFEDHN Cc1cc(CN2CCC[C@H](n3ccnc3)C2)ccc1C#N ZINC000618593630 352826815 /nfs/dbraw/zinc/82/68/15/352826815.db2.gz FCKYYCGFCUECGS-KRWDZBQOSA-N 0 3 280.375 2.900 20 30 CFEDHN N#Cc1ccc(OCCN[C@@H](CCO)c2ccccc2)cc1 ZINC000271639580 191252846 /nfs/dbraw/zinc/25/28/46/191252846.db2.gz GZBIGISLFZXIKB-SFHVURJKSA-N 0 3 296.370 2.650 20 30 CFEDHN CC[C@H](C(=O)N[C@H]1CCc2cc(C#N)ccc21)N(CC)CC ZINC000618788556 352881625 /nfs/dbraw/zinc/88/16/25/352881625.db2.gz BISXTNHYYZAESF-DLBZAZTESA-N 0 3 299.418 2.782 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H](C)C(=O)Nc1ccccc1 ZINC000618887700 352905488 /nfs/dbraw/zinc/90/54/88/352905488.db2.gz FGYKXOPZBKUCKE-OLZOCXBDSA-N 0 3 259.353 2.543 20 30 CFEDHN CCC(CC)CN(CCC#N)C[C@@H]1CNc2ccnn2C1 ZINC000619264239 352988921 /nfs/dbraw/zinc/98/89/21/352988921.db2.gz CTMONZVNMQNZTN-HNNXBMFYSA-N 0 3 289.427 2.577 20 30 CFEDHN Cc1cn2c(CNCC3(CC#N)CC3)c(C)nc2s1 ZINC000619531836 353033456 /nfs/dbraw/zinc/03/34/56/353033456.db2.gz GFIXHECAZNHIQR-UHFFFAOYSA-N 0 3 274.393 2.796 20 30 CFEDHN CC1(C)C[C@H](NCC2(C#N)CC2)CN1Cc1ccccc1 ZINC000619535186 353033900 /nfs/dbraw/zinc/03/39/00/353033900.db2.gz FHWDBKNMNRVVBP-INIZCTEOSA-N 0 3 283.419 2.933 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@H]1CCN(CCC)C1)c1ccccc1 ZINC000619900421 353075176 /nfs/dbraw/zinc/07/51/76/353075176.db2.gz CEGSTCULWOIYDR-RDJZCZTQSA-N 0 3 286.419 2.947 20 30 CFEDHN COc1cc(CNCCc2nc(C)cs2)ccc1C#N ZINC000619652513 353043901 /nfs/dbraw/zinc/04/39/01/353043901.db2.gz OGYBYPJVNXUVTF-UHFFFAOYSA-N 0 3 287.388 2.664 20 30 CFEDHN Cn1nc(CNCC2CCC(C#N)CC2)c2ccccc21 ZINC000619655162 353044752 /nfs/dbraw/zinc/04/47/52/353044752.db2.gz HRHPEPNHOGWUNK-UHFFFAOYSA-N 0 3 282.391 2.993 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC[C@@H]2OCCc3ccccc32)C1 ZINC000619673073 353047765 /nfs/dbraw/zinc/04/77/65/353047765.db2.gz QFADZJMQRMHCPF-XPKDYRNWSA-N 0 3 256.349 2.582 20 30 CFEDHN COc1ccc2c(c1)OCC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000619672826 353047777 /nfs/dbraw/zinc/04/77/77/353047777.db2.gz KMZCEIRLUKTVTP-HUBLWGQQSA-N 0 3 272.348 2.801 20 30 CFEDHN C#CCSCCNCc1c[nH]nc1-c1cccc(C)c1 ZINC000152943146 188055345 /nfs/dbraw/zinc/05/53/45/188055345.db2.gz MVMVDKQQVYZKEF-UHFFFAOYSA-N 0 3 285.416 2.841 20 30 CFEDHN C=CCN(C)C(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000153595162 188091344 /nfs/dbraw/zinc/09/13/44/188091344.db2.gz PXRNPXAAUFNHMW-MRXNPFEDSA-N 0 3 289.423 2.897 20 30 CFEDHN C=C[C@@H](CC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000153651281 188095034 /nfs/dbraw/zinc/09/50/34/188095034.db2.gz ZAIDEVYLLKKRBT-INIZCTEOSA-N 0 3 286.419 2.948 20 30 CFEDHN C=CCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000153692539 188097915 /nfs/dbraw/zinc/09/79/15/188097915.db2.gz IAGYAVBPGLTMIV-INIZCTEOSA-N 0 3 287.407 2.651 20 30 CFEDHN C=CCCC(C)(C)NC(=O)CC1CCN(C)CC1 ZINC000620858148 353242168 /nfs/dbraw/zinc/24/21/68/353242168.db2.gz YBDIDPUAOWFFGH-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155637412 188218258 /nfs/dbraw/zinc/21/82/58/188218258.db2.gz RLJZRWBSHBFNEK-AWEZNQCLSA-N 0 3 287.407 2.689 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)[C@@H]1OCCc2sccc21 ZINC000292479359 198303884 /nfs/dbraw/zinc/30/38/84/198303884.db2.gz SAKQDNRWFGPNJU-XUJVJEKNSA-N 0 3 281.421 2.667 20 30 CFEDHN CSC[C@@H]1CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000292482897 198305208 /nfs/dbraw/zinc/30/52/08/198305208.db2.gz SHNIDOMRFFVXLC-ZBFHGGJFSA-N 0 3 290.432 2.667 20 30 CFEDHN CC(C)C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156527319 188267590 /nfs/dbraw/zinc/26/75/90/188267590.db2.gz XAWVLVDGSPKQKC-KRWDZBQOSA-N 0 3 272.392 2.960 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000157197149 188303418 /nfs/dbraw/zinc/30/34/18/188303418.db2.gz UVPAPCOZKJBDTJ-JTQLQIEISA-N 0 3 257.255 2.912 20 30 CFEDHN Fc1ccc(C#CCN2CCC(n3ccnc3)CC2)cc1 ZINC000156381706 188259420 /nfs/dbraw/zinc/25/94/20/188259420.db2.gz PQNIFPVZOIUVSH-UHFFFAOYSA-N 0 3 283.350 2.711 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000157816749 188340489 /nfs/dbraw/zinc/34/04/89/188340489.db2.gz LTFSMIJAOUIUAI-HNNXBMFYSA-N 0 3 290.363 2.756 20 30 CFEDHN C#CC[C@@H](NCCCC(=O)OCC)c1ccccc1 ZINC000271692292 191279054 /nfs/dbraw/zinc/27/90/54/191279054.db2.gz KRCHBQRCTJAPHA-OAHLLOKOSA-N 0 3 259.349 2.684 20 30 CFEDHN C#CCOc1ccc([C@@H](C)NCc2ccn(C)c2)cc1 ZINC000158497986 188379215 /nfs/dbraw/zinc/37/92/15/188379215.db2.gz ZMPIPQATMLYFSH-CQSZACIVSA-N 0 3 268.360 2.888 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1ccc(F)cc1F ZINC000271696840 191280448 /nfs/dbraw/zinc/28/04/48/191280448.db2.gz RVQWNRLMPBCRAT-ZYHUDNBSSA-N 0 3 255.308 2.943 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292715477 198387261 /nfs/dbraw/zinc/38/72/61/198387261.db2.gz DPYBPSUWMPONLX-CQSZACIVSA-N 0 3 299.399 2.977 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623233204 353598407 /nfs/dbraw/zinc/59/84/07/353598407.db2.gz RNYHRVJOUYPIJI-WOSRLPQWSA-N 0 3 272.392 2.890 20 30 CFEDHN CC(C)[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCS1 ZINC000268707920 535238678 /nfs/dbraw/zinc/23/86/78/535238678.db2.gz STBQJGWLYOYQCF-HZPDHXFCSA-N 0 3 290.432 2.665 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C1 ZINC000623584462 353678960 /nfs/dbraw/zinc/67/89/60/353678960.db2.gz FXEDHTXMPKMLDQ-HRCADAONSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000623717999 353710379 /nfs/dbraw/zinc/71/03/79/353710379.db2.gz SOEHJHZWRYZRRF-BZUAXINKSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000624315916 353860348 /nfs/dbraw/zinc/86/03/48/353860348.db2.gz GQARWFZCFXLNAO-LSDHHAIUSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624783517 353945249 /nfs/dbraw/zinc/94/52/49/353945249.db2.gz FXQHMZLRBOPKRK-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc[nH]c1C ZINC001085165166 781930934 /nfs/dbraw/zinc/93/09/34/781930934.db2.gz QKJQBNWHEBOQRB-ZIAGYGMSSA-N 0 3 295.814 2.706 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000625701733 354089387 /nfs/dbraw/zinc/08/93/87/354089387.db2.gz CBKGOSSIHKRDLJ-CQSZACIVSA-N 0 3 272.392 2.786 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(CCC)CCC)C1 ZINC000625701560 354089437 /nfs/dbraw/zinc/08/94/37/354089437.db2.gz QAKORYZMNGRVEM-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccccc2C)C1 ZINC000625702521 354090162 /nfs/dbraw/zinc/09/01/62/354090162.db2.gz GSAVOJBROAJTDI-OAHLLOKOSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000625702613 354090276 /nfs/dbraw/zinc/09/02/76/354090276.db2.gz VRAYBOPJLGWBCD-SOUVJXGZSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000625786383 354110661 /nfs/dbraw/zinc/11/06/61/354110661.db2.gz ZTZKJNAJXVKNKW-GOEBONIOSA-N 0 3 260.381 2.840 20 30 CFEDHN C=C(CN[C@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1 ZINC000271728033 191293267 /nfs/dbraw/zinc/29/32/67/191293267.db2.gz RQNJCOGSHHVCMP-JKSUJKDBSA-N 0 3 293.432 2.645 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1cccc(C)c1)C(C)C ZINC000625984048 354160718 /nfs/dbraw/zinc/16/07/18/354160718.db2.gz JPGZCKKUOIRVJI-GDBMZVCRSA-N 0 3 274.408 2.972 20 30 CFEDHN C=CCNC(=O)CNC(C)(C)c1ccc2ccccc2c1 ZINC000626115858 354199325 /nfs/dbraw/zinc/19/93/25/354199325.db2.gz HXULGGNIVSSQKR-UHFFFAOYSA-N 0 3 282.387 2.967 20 30 CFEDHN O[C@@H]1CC[C@H]2CCN(CC#Cc3cccc(Cl)c3)[C@@H]12 ZINC000626139430 354207052 /nfs/dbraw/zinc/20/70/52/354207052.db2.gz LIHZFDOZJNVZFC-NUEKZKHPSA-N 0 3 275.779 2.537 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000295304669 199449877 /nfs/dbraw/zinc/44/98/77/199449877.db2.gz KIKFQNISPKMXLB-GOEBONIOSA-N 0 3 286.419 2.835 20 30 CFEDHN N#Cc1cccc(C2(NC[C@@H]3CCCCO3)CC2)c1 ZINC000271746372 191303863 /nfs/dbraw/zinc/30/38/63/191303863.db2.gz DQGSYIILTCHRAJ-HNNXBMFYSA-N 0 3 256.349 2.706 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H](C)c2ccc(C)cc2)C1=O ZINC000628259124 354508667 /nfs/dbraw/zinc/50/86/67/354508667.db2.gz HVUGCCMUMHSDPB-NVXWUHKLSA-N 0 3 286.419 2.817 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000628406098 354579333 /nfs/dbraw/zinc/57/93/33/354579333.db2.gz BZILKOFIUQHRAG-GFCCVEGCSA-N 0 3 277.364 2.807 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000628407015 354580307 /nfs/dbraw/zinc/58/03/07/354580307.db2.gz WVYGWEMMDTXCSD-CQSZACIVSA-N 0 3 268.364 2.665 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)[C@H](CC)N(CC)CC)C1 ZINC000628487912 354604668 /nfs/dbraw/zinc/60/46/68/354604668.db2.gz OAXADPLGOZIXQR-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCC=C(c3cccnc3)C2)C1 ZINC000336272162 283058731 /nfs/dbraw/zinc/05/87/31/283058731.db2.gz UJTGVZCKSHYYCF-CJNGLKHVSA-N 0 3 253.349 2.863 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2COc3ccc(F)cc3C2)C1 ZINC000344016991 283055694 /nfs/dbraw/zinc/05/56/94/283055694.db2.gz DZTDVQFKQSUVDU-DFBGVHRSSA-N 0 3 274.339 2.801 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCCO[C@@H]2c2ccncc2)C1 ZINC000333103261 283067417 /nfs/dbraw/zinc/06/74/17/283067417.db2.gz QGPCLJVZUUYSKP-DRPJVOAASA-N 0 3 271.364 2.584 20 30 CFEDHN N#Cc1c2c(cnc1N1CC[C@H](N3CCCCC3)C1)CCC2 ZINC000425234517 283082643 /nfs/dbraw/zinc/08/26/43/283082643.db2.gz XNENAQJMLQVXIC-HNNXBMFYSA-N 0 3 296.418 2.507 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](C)c1cccc(F)c1F ZINC000271801609 191334883 /nfs/dbraw/zinc/33/48/83/191334883.db2.gz PMXHHJASVYPICG-MNOVXSKESA-N 0 3 255.308 2.943 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cccc(F)c1F ZINC000271802778 191337559 /nfs/dbraw/zinc/33/75/59/191337559.db2.gz PMXHHJASVYPICG-WDEREUQCSA-N 0 3 255.308 2.943 20 30 CFEDHN COC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000271807356 191338735 /nfs/dbraw/zinc/33/87/35/191338735.db2.gz NRLFLEKPNMHOFK-QZTJIDSGSA-N 0 3 296.370 2.569 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000271827295 191352257 /nfs/dbraw/zinc/35/22/57/191352257.db2.gz DGMVSNHPLXJMRJ-WFASDCNBSA-N 0 3 270.332 2.844 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cc(C)no1)C(C)C ZINC000631040158 355259974 /nfs/dbraw/zinc/25/99/74/355259974.db2.gz QFFHOHHSQHJRNE-INIZCTEOSA-N 0 3 277.412 2.771 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000271905107 191399639 /nfs/dbraw/zinc/39/96/39/191399639.db2.gz WLGZGKNNATUHEL-FVQBIDKESA-N 0 3 286.350 2.745 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cc1OC ZINC000631220707 355357994 /nfs/dbraw/zinc/35/79/94/355357994.db2.gz XKCUSQIACMAVKV-GZBFAFLISA-N 0 3 291.391 2.916 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000668139195 540158615 /nfs/dbraw/zinc/15/86/15/540158615.db2.gz XNQVKCHOHSXNAP-NVXWUHKLSA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCC[C@@H](CCC)[NH2+]Cc1nnc(C2CCOCC2)[n-]1 ZINC000631695512 355550345 /nfs/dbraw/zinc/55/03/45/355550345.db2.gz GSAWEIHTNCYGGR-CQSZACIVSA-N 0 3 292.427 2.923 20 30 CFEDHN C=CCC[C@@H](CCC)NCc1nnc(C2CCOCC2)[nH]1 ZINC000631695512 355550348 /nfs/dbraw/zinc/55/03/48/355550348.db2.gz GSAWEIHTNCYGGR-CQSZACIVSA-N 0 3 292.427 2.923 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H]1CCCOc2c(OC)cccc21 ZINC000631602613 355511372 /nfs/dbraw/zinc/51/13/72/355511372.db2.gz HHDXGEXLUZVBEN-HIFRSBDPSA-N 0 3 291.391 2.683 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000631889945 355615979 /nfs/dbraw/zinc/61/59/79/355615979.db2.gz NIQZJGJRJDLTLM-UHFFFAOYSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2cc(OC)ncc2F)CC1 ZINC000287585836 540193536 /nfs/dbraw/zinc/19/35/36/540193536.db2.gz HSPBCMDKZUUQAX-LBPRGKRZSA-N 0 3 293.386 2.530 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000632798623 355746111 /nfs/dbraw/zinc/74/61/11/355746111.db2.gz ZJBLAWIQFLEKFR-ZDUSSCGKSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)Oc1cccc(F)c1 ZINC000174581219 188907525 /nfs/dbraw/zinc/90/75/25/188907525.db2.gz JEWMZVQHGIPYTL-NSHDSACASA-N 0 3 274.295 2.847 20 30 CFEDHN C=CCC(C)(C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000634095970 356090343 /nfs/dbraw/zinc/09/03/43/356090343.db2.gz PLEGTLBIYWUNTA-UHFFFAOYSA-N 0 3 290.411 2.691 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)C2CC2)c(C(F)(F)F)c1 ZINC000353085416 283145720 /nfs/dbraw/zinc/14/57/20/283145720.db2.gz VEJISVOJRGTLRB-CYBMUJFWSA-N 0 3 298.308 2.685 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CCC2)c(C(F)(F)F)c1 ZINC000352863297 283144633 /nfs/dbraw/zinc/14/46/33/283144633.db2.gz UJNPLGDRXSPPAA-UHFFFAOYSA-N 0 3 298.308 2.829 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000289932132 283146383 /nfs/dbraw/zinc/14/63/83/283146383.db2.gz TUNFOSSGYSAMJA-MOPGFXCFSA-N 0 3 292.382 2.814 20 30 CFEDHN CC[C@H](C)[C@H](CNCc1ccc(C#N)c(OC)c1)OC ZINC000294356008 199010456 /nfs/dbraw/zinc/01/04/56/199010456.db2.gz ZQXWUMARWXXCQS-LRDDRELGSA-N 0 3 276.380 2.718 20 30 CFEDHN C=CC(C)(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000294380801 199018078 /nfs/dbraw/zinc/01/80/78/199018078.db2.gz NMWHNPHFKLUAPA-UHFFFAOYSA-N 0 3 286.419 2.763 20 30 CFEDHN C=CCOCCN1CCC[C@@H]1c1ccc(COC)o1 ZINC000294530931 199074912 /nfs/dbraw/zinc/07/49/12/199074912.db2.gz JRYLXXXITGSFID-CQSZACIVSA-N 0 3 265.353 2.766 20 30 CFEDHN CC/C(C)=C/C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000294618742 199109437 /nfs/dbraw/zinc/10/94/37/199109437.db2.gz XRPRCNGVBUEJMI-NTCAYCPXSA-N 0 3 299.418 2.805 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CC)C1 ZINC000248896574 540378427 /nfs/dbraw/zinc/37/84/27/540378427.db2.gz KVEUKZWAOGUFGO-CABCVRRESA-N 0 3 264.413 2.698 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000329235355 202246305 /nfs/dbraw/zinc/24/63/05/202246305.db2.gz NKANFLYRYAYOAW-LBPRGKRZSA-N 0 3 258.350 2.510 20 30 CFEDHN COc1ccc2c(c1)CC[C@H](NCc1nc(C#N)cs1)C2 ZINC000589316912 540587448 /nfs/dbraw/zinc/58/74/48/540587448.db2.gz UZPYTPJTFWHWRK-ZDUSSCGKSA-N 0 3 299.399 2.670 20 30 CFEDHN C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1cccc(C#N)c1 ZINC000297239372 200122577 /nfs/dbraw/zinc/12/25/77/200122577.db2.gz IIUFIZXQXLUZTA-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCCc1noc(-c2ccccc2OCCN(C)C)n1 ZINC000297470184 200201734 /nfs/dbraw/zinc/20/17/34/200201734.db2.gz YNGVORABNCVTAG-UHFFFAOYSA-N 0 3 287.363 2.796 20 30 CFEDHN CCOC1(C)CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000298214711 200361938 /nfs/dbraw/zinc/36/19/38/200361938.db2.gz DZDDYLQDGGTBHH-UHFFFAOYSA-N 0 3 288.391 2.958 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC000298246259 200369992 /nfs/dbraw/zinc/36/99/92/200369992.db2.gz MMVRKSKKUJACRU-HNNXBMFYSA-N 0 3 260.381 2.541 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)N1CCC(C)CC1 ZINC000176958082 189016641 /nfs/dbraw/zinc/01/66/41/189016641.db2.gz VMCQQBPUQSXZKA-CYBMUJFWSA-N 0 3 277.437 2.830 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)c2ccsc2)s1 ZINC000176973716 189018208 /nfs/dbraw/zinc/01/82/08/189018208.db2.gz QYKCOPSHNLHVEH-GFCCVEGCSA-N 0 3 264.375 2.504 20 30 CFEDHN C[C@@H](O)CC(C)(C)CNCc1ccc(C#N)s1 ZINC000176975560 189018228 /nfs/dbraw/zinc/01/82/28/189018228.db2.gz VSJKWQMSQDUTSS-SNVBAGLBSA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCCCN(C)Cc1ccc(-n2ccnc2)nc1 ZINC000177204428 189036005 /nfs/dbraw/zinc/03/60/05/189036005.db2.gz SBPPLTKSVHWQGJ-UHFFFAOYSA-N 0 3 256.353 2.665 20 30 CFEDHN C=CCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177398966 189047869 /nfs/dbraw/zinc/04/78/69/189047869.db2.gz NDXCFHYMZCOEJR-CQSZACIVSA-N 0 3 266.772 2.596 20 30 CFEDHN C=CCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000177544816 189056083 /nfs/dbraw/zinc/05/60/83/189056083.db2.gz XQOLVDOPLXWJGO-UHFFFAOYSA-N 0 3 299.418 2.805 20 30 CFEDHN Cc1ccc(CN(CCO)Cc2ccc(C#N)cc2)cc1 ZINC000177694525 189064185 /nfs/dbraw/zinc/06/41/85/189064185.db2.gz QWSPKNWYSHSGNG-UHFFFAOYSA-N 0 3 280.371 2.861 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCCOC2)cc1 ZINC000177929683 189080342 /nfs/dbraw/zinc/08/03/42/189080342.db2.gz SFAAQACIAUOFCH-ZFWWWQNUSA-N 0 3 259.349 2.528 20 30 CFEDHN CC[C@@H]1CCCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000150743290 260582590 /nfs/dbraw/zinc/58/25/90/260582590.db2.gz GXYUEQOISWFVMU-ZBFHGGJFSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180291369 189248315 /nfs/dbraw/zinc/24/83/15/189248315.db2.gz UFEJJMGWXPEPGI-KRWDZBQOSA-N 0 3 290.382 2.949 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000180365388 189251507 /nfs/dbraw/zinc/25/15/07/189251507.db2.gz TZAHXNZXIMBYJI-AEFFLSMTSA-N 0 3 298.430 2.959 20 30 CFEDHN C=C(C)COCCN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000358972689 540965958 /nfs/dbraw/zinc/96/59/58/540965958.db2.gz XAGJLBJKQGGZOU-OAHLLOKOSA-N 0 3 291.391 2.873 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180438466 189255071 /nfs/dbraw/zinc/25/50/71/189255071.db2.gz YCLDLRGAEAZGIL-FZMZJTMJSA-N 0 3 264.325 2.573 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC2(CCC2)CC1 ZINC000671728853 541060977 /nfs/dbraw/zinc/06/09/77/541060977.db2.gz MKQMPGPAOIFZTI-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN CCN(CC)CCSc1cc(C#N)ccc1[N+](=O)[O-] ZINC000183940419 189371759 /nfs/dbraw/zinc/37/17/59/189371759.db2.gz JFKAXTCIZAPIQR-UHFFFAOYSA-N 0 3 279.365 2.900 20 30 CFEDHN Cc1noc(CCCN(C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425529841 239091615 /nfs/dbraw/zinc/09/16/15/239091615.db2.gz CSYBMBVOYDVWAX-GFCCVEGCSA-N 0 3 284.363 2.875 20 30 CFEDHN CO[C@@H](CN(C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425536964 239092782 /nfs/dbraw/zinc/09/27/82/239092782.db2.gz PTFWRPOEPLXIGI-LRDDRELGSA-N 0 3 258.365 2.976 20 30 CFEDHN Cc1ccnc(C2CCN(CCCCC#N)CC2)n1 ZINC000363790973 260623849 /nfs/dbraw/zinc/62/38/49/260623849.db2.gz HDCSGOLAFDNEQR-UHFFFAOYSA-N 0 3 258.369 2.658 20 30 CFEDHN CCCCCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000144369143 781953878 /nfs/dbraw/zinc/95/38/78/781953878.db2.gz DEUNUZRBRIKQDY-ZDUSSCGKSA-N 0 3 252.402 2.700 20 30 CFEDHN Cn1cc(CNCCSc2ccccc2)cc1C#N ZINC000189589195 189538671 /nfs/dbraw/zinc/53/86/71/189538671.db2.gz BZZUBZIQGMYQRW-UHFFFAOYSA-N 0 3 271.389 2.779 20 30 CFEDHN CC(C)c1nc(CCNCc2cc(C#N)n(C)c2)cs1 ZINC000190927736 189578280 /nfs/dbraw/zinc/57/82/80/189578280.db2.gz BSYYBJQLLQDBES-UHFFFAOYSA-N 0 3 288.420 2.809 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000433004197 240078250 /nfs/dbraw/zinc/07/82/50/240078250.db2.gz DCFJKCZKLOCPDC-KGYLQXTDSA-N 0 3 290.338 2.690 20 30 CFEDHN CCOC(=O)CC1(NCc2cc(C#N)cs2)CCCC1 ZINC000435277827 240301653 /nfs/dbraw/zinc/30/16/53/240301653.db2.gz DQBRPOQHPFHOCR-UHFFFAOYSA-N 0 3 292.404 2.975 20 30 CFEDHN C=CC[C@H](C(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000275350983 193008335 /nfs/dbraw/zinc/00/83/35/193008335.db2.gz QPYWNOUSGIVIMG-KRWDZBQOSA-N 0 3 284.403 2.724 20 30 CFEDHN C=CCN(CCC(=O)N1CCc2ccccc2C1)C1CC1 ZINC000275469196 193050624 /nfs/dbraw/zinc/05/06/24/193050624.db2.gz OIQXEQHLDIKZIB-UHFFFAOYSA-N 0 3 284.403 2.612 20 30 CFEDHN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000443644659 241083432 /nfs/dbraw/zinc/08/34/32/241083432.db2.gz YYSCPQXYNNYCHL-KGLIPLIRSA-N 0 3 285.391 2.865 20 30 CFEDHN Cc1cc(CN[C@@H]2COc3ccccc3C2)ccc1C#N ZINC000443977945 241100607 /nfs/dbraw/zinc/10/06/07/241100607.db2.gz IOTVRNKJCWVVGP-KRWDZBQOSA-N 0 3 278.355 2.960 20 30 CFEDHN Cc1cc(CNCCOc2ccc(C#N)cc2)ccc1C#N ZINC000443987658 241103094 /nfs/dbraw/zinc/10/30/94/241103094.db2.gz JSWKBQWSLPUXIX-UHFFFAOYSA-N 0 3 291.354 2.907 20 30 CFEDHN CC(C)(C)[C@H](CO)NCc1ccc(C#N)cc1OC(F)F ZINC000444703280 241173472 /nfs/dbraw/zinc/17/34/72/241173472.db2.gz JXBZCUGIQVXLSQ-ZDUSSCGKSA-N 0 3 298.333 2.656 20 30 CFEDHN CC[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(C#N)cc1 ZINC000447543819 241382572 /nfs/dbraw/zinc/38/25/72/241382572.db2.gz MNXBEYKGZZLITG-QGZVFWFLSA-N 0 3 293.370 2.898 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)c(C)c1 ZINC000449567484 242038223 /nfs/dbraw/zinc/03/82/23/242038223.db2.gz WGANSTZKSOJECN-KRWDZBQOSA-N 0 3 271.408 2.783 20 30 CFEDHN COc1ccc(CN(C)[C@@H](CO)CC(C)(C)C)cc1C#N ZINC000449589011 242054049 /nfs/dbraw/zinc/05/40/49/242054049.db2.gz RNCAOIBLGKWWHT-OAHLLOKOSA-N 0 3 290.407 2.796 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C#N)cc1F ZINC000449565492 242036935 /nfs/dbraw/zinc/03/69/35/242036935.db2.gz IRBCMAKSUQZVQQ-OAHLLOKOSA-N 0 3 275.371 2.613 20 30 CFEDHN C[C@H](N[C@@H]1CCCN(C)[C@H]1C)c1ccc(C#N)cc1F ZINC000346796620 299373334 /nfs/dbraw/zinc/37/33/34/299373334.db2.gz NFOZYVYAWQZQMJ-MQIPJXDCSA-N 0 3 275.371 2.831 20 30 CFEDHN CC[C@@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCC1 ZINC000450257506 242329132 /nfs/dbraw/zinc/32/91/32/242329132.db2.gz LWSVOALZTWOGLY-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000452102767 243043885 /nfs/dbraw/zinc/04/38/85/243043885.db2.gz LFLUJHQSPNUROM-CYBMUJFWSA-N 0 3 276.355 2.946 20 30 CFEDHN C=CCC[C@H](O)CN1CCCc2sccc2C1 ZINC000675496564 541662134 /nfs/dbraw/zinc/66/21/34/541662134.db2.gz UNIKXILXOAVEDK-ZDUSSCGKSA-N 0 3 251.395 2.823 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)[C@H]1C ZINC000347230794 284068738 /nfs/dbraw/zinc/06/87/38/284068738.db2.gz XVLICNYFCJOPHF-TYNCELHUSA-N 0 3 272.348 2.503 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@H]2CC(N)=O)cc1 ZINC000330584736 203004870 /nfs/dbraw/zinc/00/48/70/203004870.db2.gz MPLOSCODKZSISO-AWEZNQCLSA-N 0 3 257.337 2.838 20 30 CFEDHN CC[C@@H](CC#N)NCCCOCCc1ccccc1 ZINC000574288776 335007506 /nfs/dbraw/zinc/00/75/06/335007506.db2.gz UAJZAUJULXUIKX-INIZCTEOSA-N 0 3 260.381 2.918 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000276332296 193289456 /nfs/dbraw/zinc/28/94/56/193289456.db2.gz HADUJOCKTFTMFD-BXKDBHETSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCCN(C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000276391084 193312296 /nfs/dbraw/zinc/31/22/96/193312296.db2.gz JJGKPQYAGCDVRZ-LLVKDONJSA-N 0 3 251.326 2.944 20 30 CFEDHN C=CCC[N@@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000276519354 193364785 /nfs/dbraw/zinc/36/47/85/193364785.db2.gz YRNRTVUFWNOOQI-UHFFFAOYSA-N 0 3 273.332 2.815 20 30 CFEDHN C=CCC[N@H+](C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000276519354 193364787 /nfs/dbraw/zinc/36/47/87/193364787.db2.gz YRNRTVUFWNOOQI-UHFFFAOYSA-N 0 3 273.332 2.815 20 30 CFEDHN C=CCCN(C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000276468737 193343834 /nfs/dbraw/zinc/34/38/34/193343834.db2.gz RGSQAOGPTCIRKG-UHFFFAOYSA-N 0 3 274.408 2.932 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(OC(F)F)cc1 ZINC000677047089 541813256 /nfs/dbraw/zinc/81/32/56/541813256.db2.gz RKDGAGKXDKRFDD-ZDUSSCGKSA-N 0 3 271.307 2.657 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000677047815 541813639 /nfs/dbraw/zinc/81/36/39/541813639.db2.gz IAPHTYZADUIOHZ-IAGOWNOFSA-N 0 3 259.393 2.977 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCc1ccc(Br)cc1 ZINC000677047672 541813942 /nfs/dbraw/zinc/81/39/42/541813942.db2.gz FLCTYZBAIWKPHK-AWEZNQCLSA-N 0 3 298.224 2.860 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)Cc1ccc(Br)cc1 ZINC000677047396 541813974 /nfs/dbraw/zinc/81/39/74/541813974.db2.gz ZEGUFNAEZJOTHG-CYBMUJFWSA-N 0 3 284.197 2.818 20 30 CFEDHN Cc1cc(CN[C@H]2C[C@@H](OC(C)C)C2)ccc1C#N ZINC000459633003 245252270 /nfs/dbraw/zinc/25/22/70/245252270.db2.gz MMHSYLMXKOOGDQ-IYBDPMFKSA-N 0 3 258.365 2.912 20 30 CFEDHN C[C@H](CCCc1cccnc1)NCc1nc(C#N)cs1 ZINC000459646546 245257053 /nfs/dbraw/zinc/25/70/53/245257053.db2.gz IVODBDDDCLEKCY-GFCCVEGCSA-N 0 3 286.404 2.911 20 30 CFEDHN COc1cccc2c1C[C@@H](NCc1cc(C#N)cs1)C2 ZINC000459713015 245281993 /nfs/dbraw/zinc/28/19/93/245281993.db2.gz WYIIFEFZWRCHQD-ZDUSSCGKSA-N 0 3 284.384 2.885 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC000459795429 245330676 /nfs/dbraw/zinc/33/06/76/245330676.db2.gz VGEROJQWDHQLTM-GJZGRUSLSA-N 0 3 256.349 2.605 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cc(C#N)cs2)C12CCC2 ZINC000459798771 245332087 /nfs/dbraw/zinc/33/20/87/245332087.db2.gz XWYPOLASGFAKKT-STQMWFEESA-N 0 3 262.378 2.667 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(SC)c(OC)c1 ZINC000677478420 541864537 /nfs/dbraw/zinc/86/45/37/541864537.db2.gz XNIQHASQVYXLEE-ZDUSSCGKSA-N 0 3 281.421 2.786 20 30 CFEDHN O=C(NCc1ncc[nH]1)[C@H]1CCCCN1C1CCCC1 ZINC000329217892 227358799 /nfs/dbraw/zinc/35/87/99/227358799.db2.gz QZTXFJCWEYELNB-CYBMUJFWSA-N 0 3 276.384 2.663 20 30 CFEDHN C[C@H](C1CC1)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000031653824 372414237 /nfs/dbraw/zinc/41/42/37/372414237.db2.gz HJDJOSIPEHVNDL-GFCCVEGCSA-N 0 3 283.375 2.760 20 30 CFEDHN CC[C@@H](C)N(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000037113077 372650911 /nfs/dbraw/zinc/65/09/11/372650911.db2.gz VKQZMGYYDWHNPV-GFCCVEGCSA-N 0 3 259.353 2.617 20 30 CFEDHN N#CCCCNCc1ccc(Br)cc1 ZINC000042238843 372891783 /nfs/dbraw/zinc/89/17/83/372891783.db2.gz JTQDYCUTZQKCKG-UHFFFAOYSA-N 0 3 253.143 2.842 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000042269609 372897222 /nfs/dbraw/zinc/89/72/22/372897222.db2.gz SQCXKNDKGBCOJU-QWRGUYRKSA-N 0 3 266.410 2.706 20 30 CFEDHN C=CCNC(=O)CN(Cc1ccccc1)[C@H](C)CC ZINC000046171405 373044763 /nfs/dbraw/zinc/04/47/63/373044763.db2.gz XOCCUCPRQASZDQ-CQSZACIVSA-N 0 3 260.381 2.589 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)C(C)(C)C)C(C)C ZINC000047633534 373110328 /nfs/dbraw/zinc/11/03/28/373110328.db2.gz PPFZACWIFJNUTH-CQSZACIVSA-N 0 3 266.429 2.847 20 30 CFEDHN N#Cc1ccc(N2CCN(C3CCCC3)CC2)cc1 ZINC000047852680 373121959 /nfs/dbraw/zinc/12/19/59/373121959.db2.gz LIYMXPUSTZTCPY-UHFFFAOYSA-N 0 3 255.365 2.623 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000047873371 373124684 /nfs/dbraw/zinc/12/46/84/373124684.db2.gz WVAQHJKFYPROPI-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000529219471 383688631 /nfs/dbraw/zinc/68/86/31/383688631.db2.gz YJFVOBVFJHJXDB-ZDUSSCGKSA-N 0 3 279.428 2.553 20 30 CFEDHN CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1CCCCC1 ZINC000049067335 373260142 /nfs/dbraw/zinc/26/01/42/373260142.db2.gz GXPZXRBHWVKJDA-MRXNPFEDSA-N 0 3 279.428 2.695 20 30 CFEDHN CC[C@H](CC#N)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000054183496 373503992 /nfs/dbraw/zinc/50/39/92/373503992.db2.gz MDRCWSHNBGYRAP-GFCCVEGCSA-N 0 3 281.400 2.668 20 30 CFEDHN CCCN(CCC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000057757719 373610846 /nfs/dbraw/zinc/61/08/46/373610846.db2.gz OSAZWIMCZQIFLQ-MRXNPFEDSA-N 0 3 283.375 2.889 20 30 CFEDHN N#Cc1ccc(Cl)cc1N[C@H]1CCN(C2CC2)C1 ZINC000061981098 373740679 /nfs/dbraw/zinc/74/06/79/373740679.db2.gz WXWFOVVOJORIKI-LBPRGKRZSA-N 0 3 261.756 2.860 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000062979967 373776007 /nfs/dbraw/zinc/77/60/07/373776007.db2.gz GXFRBYQIQRBNCK-MRXNPFEDSA-N 0 3 287.382 2.758 20 30 CFEDHN C[C@@H](NCCc1nccs1)c1cccc(C#N)c1 ZINC000063133897 373786918 /nfs/dbraw/zinc/78/69/18/373786918.db2.gz OXGNMXHNZIFCNM-LLVKDONJSA-N 0 3 257.362 2.908 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](CC)c1ccccc1 ZINC000066109838 373911765 /nfs/dbraw/zinc/91/17/65/373911765.db2.gz NDNAULDKUMPBQG-MRXNPFEDSA-N 0 3 272.392 2.928 20 30 CFEDHN N#CCNC(=O)CN1CCC[C@@H]1c1cccc2ccccc21 ZINC000066496581 373935378 /nfs/dbraw/zinc/93/53/78/373935378.db2.gz XCCAFAFOSRUCCK-QGZVFWFLSA-N 0 3 293.370 2.616 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](c3ccccc3)C2)ccn1 ZINC000068766610 374038954 /nfs/dbraw/zinc/03/89/54/374038954.db2.gz KVMLEOISXXYXBV-INIZCTEOSA-N 0 3 263.344 2.943 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000070853659 374202682 /nfs/dbraw/zinc/20/26/82/374202682.db2.gz WIJJJUGAIFPLOY-ZZFFKQLHSA-N 0 3 290.451 2.825 20 30 CFEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H]1C ZINC000072874173 374293725 /nfs/dbraw/zinc/29/37/25/374293725.db2.gz BACXIWROKOCVRE-KRIMKBQASA-N 0 3 291.439 2.790 20 30 CFEDHN N#CCC1CCN(CCOCC2CCCC2)CC1 ZINC000574498363 335023866 /nfs/dbraw/zinc/02/38/66/335023866.db2.gz QLUKGVCUSLFBTR-UHFFFAOYSA-N 0 3 250.386 2.819 20 30 CFEDHN C[C@@H](C1CC1)N(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000073779281 374382682 /nfs/dbraw/zinc/38/26/82/374382682.db2.gz JCONYAYRAQKENI-JTQLQIEISA-N 0 3 291.782 2.880 20 30 CFEDHN C[C@@H](C1CC1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000073800230 374385823 /nfs/dbraw/zinc/38/58/23/374385823.db2.gz ZCMRGZDDGAVRTN-AWEZNQCLSA-N 0 3 285.391 2.664 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]3COCC[C@@H]32)s1 ZINC000334148539 206085887 /nfs/dbraw/zinc/08/58/87/206085887.db2.gz GGEZTTQHXUMVFH-FZMZJTMJSA-N 0 3 262.378 2.621 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)C1CCC(C)CC1 ZINC000076736697 374555792 /nfs/dbraw/zinc/55/57/92/374555792.db2.gz ULVHMKOCHHQYMJ-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCCN(C)CC(=O)N1CCCC[C@H]1CC ZINC000076733981 374556701 /nfs/dbraw/zinc/55/67/01/374556701.db2.gz WRBNNGFLDYUILU-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000076737913 374556871 /nfs/dbraw/zinc/55/68/71/374556871.db2.gz OKIOTXOGPUGMSD-HNNXBMFYSA-N 0 3 274.408 2.898 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000076942541 374559846 /nfs/dbraw/zinc/55/98/46/374559846.db2.gz AFLPITKPRSHWPG-RRFJBIMHSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCOc1ccc(CN(CC)CCC(=O)OC)cc1 ZINC000092379914 375103970 /nfs/dbraw/zinc/10/39/70/375103970.db2.gz IVRQFVQVIUZJIJ-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1c(C#N)cnc2ccccc21 ZINC000092631189 375133625 /nfs/dbraw/zinc/13/36/25/375133625.db2.gz XTQZGVQCZUQKQI-AWEZNQCLSA-N 0 3 280.375 2.637 20 30 CFEDHN CC(C)C(=O)N[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092707382 375141598 /nfs/dbraw/zinc/14/15/98/375141598.db2.gz VQXNQVJCCWMISC-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCC[C@@H]3C3CCC3)n2c1 ZINC000092780937 375152233 /nfs/dbraw/zinc/15/22/33/375152233.db2.gz GPRXCHJQJVMKQS-MRXNPFEDSA-N 0 3 280.375 2.970 20 30 CFEDHN C=C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000264183831 383706203 /nfs/dbraw/zinc/70/62/03/383706203.db2.gz ORQZKMWNVWYVRO-QGZVFWFLSA-N 0 3 284.403 2.830 20 30 CFEDHN C=CCOc1ccc(CN2CCC([C@H](C)O)CC2)cc1 ZINC000092969212 375170817 /nfs/dbraw/zinc/17/08/17/375170817.db2.gz AWRZLSOZDXXAMH-AWEZNQCLSA-N 0 3 275.392 2.844 20 30 CFEDHN CCCO[C@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000093317061 375210194 /nfs/dbraw/zinc/21/01/94/375210194.db2.gz YRBKGXFLPVKAQG-ZDUSSCGKSA-N 0 3 262.353 2.932 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](COCC)C2)cc1 ZINC000093839113 375319633 /nfs/dbraw/zinc/31/96/33/375319633.db2.gz XUWXBYKSPTVBQV-INIZCTEOSA-N 0 3 273.376 2.557 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1nc(C(F)(F)F)ccc1C#N ZINC000094335492 375351607 /nfs/dbraw/zinc/35/16/07/375351607.db2.gz JGZDWLWTGBIRPH-NSHDSACASA-N 0 3 298.312 2.502 20 30 CFEDHN C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N1[C@@H](C)CC[C@@H]1C ZINC000101637969 375647323 /nfs/dbraw/zinc/64/73/23/375647323.db2.gz GPXQHIQWSHRJTQ-KKUMJFAQSA-N 0 3 299.418 2.778 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1ccc(C#N)cc1F ZINC000512652559 247214891 /nfs/dbraw/zinc/21/48/91/247214891.db2.gz ALPIZPFWZZPLTP-PVRXDPTQSA-N 0 3 260.312 2.668 20 30 CFEDHN COCC#CCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000678743479 542063755 /nfs/dbraw/zinc/06/37/55/542063755.db2.gz VTIABYGLKOWROW-LLVKDONJSA-N 0 3 269.291 2.588 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000678742393 542063978 /nfs/dbraw/zinc/06/39/78/542063978.db2.gz MHUAUPPWNIMQIY-MFKMUULPSA-N 0 3 271.307 2.876 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000678723536 542062034 /nfs/dbraw/zinc/06/20/34/542062034.db2.gz LONOHKUQKMYIEG-PBHICJAKSA-N 0 3 299.418 2.988 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678723536 542062039 /nfs/dbraw/zinc/06/20/39/542062039.db2.gz LONOHKUQKMYIEG-PBHICJAKSA-N 0 3 299.418 2.988 20 30 CFEDHN COCC#CCN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000678731173 542062174 /nfs/dbraw/zinc/06/21/74/542062174.db2.gz KHLBILVOEWEULB-AWEZNQCLSA-N 0 3 257.377 2.866 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000678797210 542071902 /nfs/dbraw/zinc/07/19/02/542071902.db2.gz DYLOGZARLNTCKK-YOEHRIQHSA-N 0 3 274.408 2.874 20 30 CFEDHN CN(C(=O)C(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000113095105 375991992 /nfs/dbraw/zinc/99/19/92/375991992.db2.gz VKYUDIHWUSKJBB-UHFFFAOYSA-N 0 3 299.418 2.659 20 30 CFEDHN CCN(CC(=O)Nc1sccc1C#N)CC(C)C ZINC000114725555 376084628 /nfs/dbraw/zinc/08/46/28/376084628.db2.gz UBVZAGZGVHILDW-UHFFFAOYSA-N 0 3 265.382 2.536 20 30 CFEDHN C#CCCCCC(=O)NCCCN(C)Cc1ccccc1 ZINC000119508834 376426949 /nfs/dbraw/zinc/42/69/49/376426949.db2.gz KIFCVCRCMNYCBO-UHFFFAOYSA-N 0 3 286.419 2.818 20 30 CFEDHN Cc1cnc(CCN(C)CCC(C)(C)C#N)s1 ZINC000120013209 376526829 /nfs/dbraw/zinc/52/68/29/376526829.db2.gz BDMWRSWQPWNMQR-UHFFFAOYSA-N 0 3 251.399 2.866 20 30 CFEDHN CCN(CCc1nccs1)CCC(C)(C)C#N ZINC000120009846 376527082 /nfs/dbraw/zinc/52/70/82/376527082.db2.gz RYRZPCHRCNEUNG-UHFFFAOYSA-N 0 3 251.399 2.947 20 30 CFEDHN COc1cc(C#N)ccc1CN(C[C@H]1CCOC1)C1CC1 ZINC000120625508 376655790 /nfs/dbraw/zinc/65/57/90/376655790.db2.gz HPHLCHKMJQBDMS-CQSZACIVSA-N 0 3 286.375 2.568 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](CC)CN1CCCC1 ZINC000678913282 542092375 /nfs/dbraw/zinc/09/23/75/542092375.db2.gz PWPUYPRCHPYKFF-GJZGRUSLSA-N 0 3 281.444 2.905 20 30 CFEDHN CC(C)C(=O)N1CCCN(CC(C)(C)CCC#N)CC1 ZINC000123643197 376964685 /nfs/dbraw/zinc/96/46/85/376964685.db2.gz NGHAJUASDTVXLG-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN C=CCC[C@@H](O)CN(CC=C)Cc1cccc(C#N)c1 ZINC000124465437 377052419 /nfs/dbraw/zinc/05/24/19/377052419.db2.gz LSPSEJIWOZXQSW-QGZVFWFLSA-N 0 3 270.376 2.873 20 30 CFEDHN CC#CCCNCc1cc(Br)ccc1OC ZINC000125507322 377163273 /nfs/dbraw/zinc/16/32/73/377163273.db2.gz YHAIXVHTKOSTQY-UHFFFAOYSA-N 0 3 282.181 2.961 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC000127943578 377310293 /nfs/dbraw/zinc/31/02/93/377310293.db2.gz SAHJEUHVFLZUJO-UHFFFAOYSA-N 0 3 274.408 2.584 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127345052 377275522 /nfs/dbraw/zinc/27/55/22/377275522.db2.gz SUQHUAURVQQVOC-HUUCEWRRSA-N 0 3 293.455 2.999 20 30 CFEDHN C=CCOCCNCc1c(C2CC2)nc2sccn12 ZINC000679486738 542197556 /nfs/dbraw/zinc/19/75/56/542197556.db2.gz YOQFJRFOZJIYBI-UHFFFAOYSA-N 0 3 277.393 2.565 20 30 CFEDHN C=CCOc1ccc(CN(C)C[C@@H](C)O)cc1Cl ZINC000130656941 377588703 /nfs/dbraw/zinc/58/87/03/377588703.db2.gz BGPNDMUWZLOPKE-LLVKDONJSA-N 0 3 269.772 2.717 20 30 CFEDHN C#CCCCCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000130742317 377603056 /nfs/dbraw/zinc/60/30/56/377603056.db2.gz JKTJROHTKHYVNJ-KRWDZBQOSA-N 0 3 286.419 2.989 20 30 CFEDHN C=CCOc1ccc(CN2CCN(C(C)C)CC2)cc1 ZINC000131129258 377663762 /nfs/dbraw/zinc/66/37/62/377663762.db2.gz VPLCNQQDTTYKJO-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000131362198 377701044 /nfs/dbraw/zinc/70/10/44/377701044.db2.gz PEAIENNQSDSONO-CQSZACIVSA-N 0 3 285.391 2.865 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC1CCN(C2CC2)CC1 ZINC000432110906 383722409 /nfs/dbraw/zinc/72/24/09/383722409.db2.gz VREIDPJAOGTRAO-UHFFFAOYSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000132743250 377871881 /nfs/dbraw/zinc/87/18/81/377871881.db2.gz CMKKOANWBHFUHR-AWEZNQCLSA-N 0 3 277.343 2.598 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)C[C@@H]1CSCCN1 ZINC000132926622 377888409 /nfs/dbraw/zinc/88/84/09/377888409.db2.gz XLIFUVYWXKBYRY-OAHLLOKOSA-N 0 3 296.480 2.676 20 30 CFEDHN CCCCN(CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000132599643 377857357 /nfs/dbraw/zinc/85/73/57/377857357.db2.gz QEQUAEAMKGUWAD-CYBMUJFWSA-N 0 3 291.420 2.847 20 30 CFEDHN COc1ccc(CNc2cc(CN(C)C)ccn2)cc1C#N ZINC000134433554 378015403 /nfs/dbraw/zinc/01/54/03/378015403.db2.gz SJPRCXGZPHSHTR-UHFFFAOYSA-N 0 3 296.374 2.636 20 30 CFEDHN C[C@H]1SCCN(CCOc2ccccc2C#N)[C@H]1C ZINC000134774234 378049100 /nfs/dbraw/zinc/04/91/00/378049100.db2.gz JKLCTQZTCBNEJR-QWHCGFSZSA-N 0 3 276.405 2.763 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2COc3ccccc3O2)s1 ZINC000135668504 378155156 /nfs/dbraw/zinc/15/51/56/378155156.db2.gz QSVNYEJIPTXDPX-LLVKDONJSA-N 0 3 286.356 2.549 20 30 CFEDHN CC(=O)NC1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135161979 378093668 /nfs/dbraw/zinc/09/36/68/378093668.db2.gz QUBOHXDOFGVAPQ-UHFFFAOYSA-N 0 3 299.418 2.588 20 30 CFEDHN Cc1nccn1CCCN(CCC#N)CCC(C)C ZINC000136404923 378199354 /nfs/dbraw/zinc/19/93/54/378199354.db2.gz FZTKYJXNNNOWRI-UHFFFAOYSA-N 0 3 262.401 2.843 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(C)cc1 ZINC000151682995 378347373 /nfs/dbraw/zinc/34/73/73/378347373.db2.gz DTWACBNFPHSRMI-ZFWWWQNUSA-N 0 3 260.381 2.726 20 30 CFEDHN N#CC1(NC(=O)[C@H](C2CC2)N2CCCC2)CCSCC1 ZINC000329527791 378462494 /nfs/dbraw/zinc/46/24/94/378462494.db2.gz SGWHOMWTBBMCDW-ZDUSSCGKSA-N 0 3 293.436 2.607 20 30 CFEDHN CC1(C)[C@H](NCC(=O)NC2CCCCC2)[C@@H]2CCO[C@H]21 ZINC000329606266 378467865 /nfs/dbraw/zinc/46/78/65/378467865.db2.gz ZRQYOJMDJUUNQX-NWANDNLSSA-N 0 3 280.412 2.679 20 30 CFEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)Nc1nccs1 ZINC000329602474 378467924 /nfs/dbraw/zinc/46/79/24/378467924.db2.gz XZSGFFZPCZZDKQ-MMWGEVLESA-N 0 3 295.408 2.523 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000328767243 378422850 /nfs/dbraw/zinc/42/28/50/378422850.db2.gz HMXIZHDYAIKWPX-CHWSQXEVSA-N 0 3 281.400 2.574 20 30 CFEDHN Cc1cnn(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000328891370 378436342 /nfs/dbraw/zinc/43/63/42/378436342.db2.gz SMHHGRRNRVVXKT-NVXWUHKLSA-N 0 3 298.390 2.593 20 30 CFEDHN C[C@H](C(=O)NCC1CCCCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329672737 378479563 /nfs/dbraw/zinc/47/95/63/378479563.db2.gz URWDOMCUWJKESK-BVUBDWEXSA-N 0 3 294.439 2.614 20 30 CFEDHN CCN(CC(C)C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000153745631 378507357 /nfs/dbraw/zinc/50/73/57/378507357.db2.gz BOQLTZOYWQAPDU-CQSZACIVSA-N 0 3 279.428 2.695 20 30 CFEDHN CCc1noc(C)c1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000330398373 378544839 /nfs/dbraw/zinc/54/48/39/378544839.db2.gz QGILYQBRWQLFNC-VXGBXAGGSA-N 0 3 293.411 2.970 20 30 CFEDHN C[C@@H]1CCC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330396940 378545321 /nfs/dbraw/zinc/54/53/21/378545321.db2.gz SBSIQPUWSYWUJB-HONMWMINSA-N 0 3 257.337 2.913 20 30 CFEDHN CCCCCNC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000330441384 378556052 /nfs/dbraw/zinc/55/60/52/378556052.db2.gz UXHYXKLTLCXRAG-GOEBONIOSA-N 0 3 291.439 2.697 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)NC(=O)Nc1ccccc1 ZINC000330656335 378594467 /nfs/dbraw/zinc/59/44/67/378594467.db2.gz NKSBPXLKFAXLEM-TZMCWYRMSA-N 0 3 289.379 2.611 20 30 CFEDHN CC[C@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330948935 378603299 /nfs/dbraw/zinc/60/32/99/378603299.db2.gz NECDAKYTZXPOBR-WFASDCNBSA-N 0 3 271.364 2.617 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CC1CC1 ZINC000157953579 378660581 /nfs/dbraw/zinc/66/05/81/378660581.db2.gz CYAVJKUIHFKQNX-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(=O)N[C@H](C)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000331264738 378661905 /nfs/dbraw/zinc/66/19/05/378661905.db2.gz GPSXITOGKWNTMS-ZIAGYGMSSA-N 0 3 299.418 2.856 20 30 CFEDHN C=CCN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158167210 378664672 /nfs/dbraw/zinc/66/46/72/378664672.db2.gz VMFAHTBOARIJPQ-HNNXBMFYSA-N 0 3 266.385 2.505 20 30 CFEDHN COc1cc(CNC[C@H]2CCC(C)(C)O2)ccc1C#N ZINC000331290071 378665436 /nfs/dbraw/zinc/66/54/36/378665436.db2.gz KAQKHKOPBULEMC-CQSZACIVSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCOc1cccc(CN(CCO)CCCC)c1 ZINC000159090931 378685551 /nfs/dbraw/zinc/68/55/51/378685551.db2.gz IDFRWATXYBZHBK-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000156991279 378649574 /nfs/dbraw/zinc/64/95/74/378649574.db2.gz MMSFUXCFVFDBHU-YOEHRIQHSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC000160229924 378757942 /nfs/dbraw/zinc/75/79/42/378757942.db2.gz FWLUZVBSEZGUBU-YOEHRIQHSA-N 0 3 292.386 2.886 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000160120046 378750701 /nfs/dbraw/zinc/75/07/01/378750701.db2.gz ABKZPMKLXGZYOX-SECBINFHSA-N 0 3 293.298 2.976 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccc1C#N ZINC000160229512 378758347 /nfs/dbraw/zinc/75/83/47/378758347.db2.gz QWFMCFMNTWGMMQ-PBHICJAKSA-N 0 3 292.386 2.886 20 30 CFEDHN C#CCN(CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000161249870 378834123 /nfs/dbraw/zinc/83/41/23/378834123.db2.gz RHCSOVOLAAFBBC-UHFFFAOYSA-N 0 3 297.402 2.807 20 30 CFEDHN CC#CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000278516510 194022541 /nfs/dbraw/zinc/02/25/41/194022541.db2.gz BZRLEOYIRZVYJF-AWEZNQCLSA-N 0 3 290.432 2.661 20 30 CFEDHN C[C@H]1CN(CCCCNc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000161811890 378873564 /nfs/dbraw/zinc/87/35/64/378873564.db2.gz ZZLXKYPRYCVEGK-GJZGRUSLSA-N 0 3 287.407 2.860 20 30 CFEDHN C[C@@H](NCC1CCC(C#N)CC1)c1cc2n(n1)CCC2 ZINC000333942980 378879955 /nfs/dbraw/zinc/87/99/55/378879955.db2.gz QMSFPZAUGIXMEF-IYXRBSQSSA-N 0 3 272.396 2.810 20 30 CFEDHN C[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000162817188 378936274 /nfs/dbraw/zinc/93/62/74/378936274.db2.gz UYDQDZRQNQNHHP-GXTWGEPZSA-N 0 3 263.768 2.706 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000164595737 379019386 /nfs/dbraw/zinc/01/93/86/379019386.db2.gz YRTYKNGPZBDSGM-CVEARBPZSA-N 0 3 276.424 2.698 20 30 CFEDHN C#C[C@H](C)NCc1ccc(F)c(Br)c1 ZINC000166451299 379054047 /nfs/dbraw/zinc/05/40/47/379054047.db2.gz NARNRIPLXUTQKJ-QMMMGPOBSA-N 0 3 256.118 2.700 20 30 CFEDHN CC[C@@H](N[C@H](C)Cn1cccn1)c1ccc(C#N)cc1 ZINC000278699218 194108989 /nfs/dbraw/zinc/10/89/89/194108989.db2.gz KXDHJWWPGBOHHR-CZUORRHYSA-N 0 3 268.364 2.884 20 30 CFEDHN C[C@@H](N[C@H]1CCc2c[nH]nc2C1)c1ccc(C#N)cc1F ZINC000334343590 379126874 /nfs/dbraw/zinc/12/68/74/379126874.db2.gz RFJAGPPJUGNWMB-MFKMUULPSA-N 0 3 284.338 2.629 20 30 CFEDHN CC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1 ZINC000278797380 194160011 /nfs/dbraw/zinc/16/00/11/194160011.db2.gz QVTKXHWBLLFZGC-IMJJTQAJSA-N 0 3 256.349 2.536 20 30 CFEDHN C=C(C)CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918270 379191113 /nfs/dbraw/zinc/19/11/13/379191113.db2.gz OGMQLWWUBMYSHA-ZDUSSCGKSA-N 0 3 268.401 2.751 20 30 CFEDHN C=C(C)CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170918268 379191824 /nfs/dbraw/zinc/19/18/24/379191824.db2.gz OGMQLWWUBMYSHA-CYBMUJFWSA-N 0 3 268.401 2.751 20 30 CFEDHN C=CCN1CCC(NC(=O)c2sccc2SC)CC1 ZINC000170949073 379196728 /nfs/dbraw/zinc/19/67/28/379196728.db2.gz KSHVFYDFCJTPAK-UHFFFAOYSA-N 0 3 296.461 2.850 20 30 CFEDHN CC[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000278831246 194174758 /nfs/dbraw/zinc/17/47/58/194174758.db2.gz UBBACHYMAICDHL-STQMWFEESA-N 0 3 286.297 2.912 20 30 CFEDHN C=CCSCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000278832971 194175384 /nfs/dbraw/zinc/17/53/84/194175384.db2.gz UEALXYVEBNSILC-SNVBAGLBSA-N 0 3 269.366 2.636 20 30 CFEDHN C=CCN(CCCCCO)Cc1cccc(C#N)c1 ZINC000171146335 379245199 /nfs/dbraw/zinc/24/51/99/379245199.db2.gz HWRWFTUEIPFEAS-UHFFFAOYSA-N 0 3 258.365 2.709 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)n(CC)c2C)CC1 ZINC000171721918 379385408 /nfs/dbraw/zinc/38/54/08/379385408.db2.gz UQOVWKFXTWXKLH-UHFFFAOYSA-N 0 3 289.423 2.505 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000171724657 379385586 /nfs/dbraw/zinc/38/55/86/379385586.db2.gz MDDRASJUHYYALS-UHFFFAOYSA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCc2cccs2)CC1 ZINC000171730682 379387350 /nfs/dbraw/zinc/38/73/50/379387350.db2.gz DOJNQSHZEUZPJL-UHFFFAOYSA-N 0 3 292.448 2.837 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccc(C)cc2F)CC1 ZINC000171739414 379389418 /nfs/dbraw/zinc/38/94/18/379389418.db2.gz DZOHXOPSEHCUEO-UHFFFAOYSA-N 0 3 291.370 2.906 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2ccccc2C)CC1 ZINC000171736633 379389964 /nfs/dbraw/zinc/38/99/64/379389964.db2.gz JPOHOIVWVXQROV-UHFFFAOYSA-N 0 3 273.380 2.767 20 30 CFEDHN CCCN(Cc1ccc(C#N)cn1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000571891954 383736511 /nfs/dbraw/zinc/73/65/11/383736511.db2.gz OQNJYWNZNBBYAA-ZACQAIPSSA-N 0 3 299.418 2.979 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000335467206 379349394 /nfs/dbraw/zinc/34/93/94/379349394.db2.gz CGELGFFUBINKME-NSHDSACASA-N 0 3 292.329 2.906 20 30 CFEDHN C[C@@H]1N(Cc2ccccc2C#N)CCC12CCOCC2 ZINC000335467980 379350246 /nfs/dbraw/zinc/35/02/46/379350246.db2.gz PIUWEYANFLYMBA-AWEZNQCLSA-N 0 3 270.376 2.949 20 30 CFEDHN C[C@H](N[C@@H]1CCSC1)c1ccc(C#N)cc1F ZINC000334467579 379351178 /nfs/dbraw/zinc/35/11/78/379351178.db2.gz WSIXGOPYGOELNP-GXSJLCMTSA-N 0 3 250.342 2.853 20 30 CFEDHN N#Cc1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000334501223 379401511 /nfs/dbraw/zinc/40/15/11/379401511.db2.gz VMWKBUPYPGCJKG-UHFFFAOYSA-N 0 3 256.349 2.561 20 30 CFEDHN Cc1ncsc1CCN(C)Cc1cccc(C#N)c1 ZINC000172526367 379590498 /nfs/dbraw/zinc/59/04/98/379590498.db2.gz KPAQSRBMAYXEIU-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000172396018 379558405 /nfs/dbraw/zinc/55/84/05/379558405.db2.gz OUFWXDOMOGCXGQ-ZDUSSCGKSA-N 0 3 297.402 2.610 20 30 CFEDHN CN(CCSc1nccnc1C#N)Cc1ccccc1 ZINC000279003370 194247526 /nfs/dbraw/zinc/24/75/26/194247526.db2.gz GBDLLEMNNDBWDB-UHFFFAOYSA-N 0 3 284.388 2.572 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000334637559 379679593 /nfs/dbraw/zinc/67/95/93/379679593.db2.gz XBAUFDGYJNSYPM-KRWDZBQOSA-N 0 3 297.402 2.535 20 30 CFEDHN Cn1nccc1[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000335692052 379730229 /nfs/dbraw/zinc/73/02/29/379730229.db2.gz XCNFKHSDRKDCMD-HNNXBMFYSA-N 0 3 298.365 2.810 20 30 CFEDHN CCO[C@H](CCNCc1ccc(C#N)o1)C(C)C ZINC000173570866 379755187 /nfs/dbraw/zinc/75/51/87/379755187.db2.gz VWCNUKMLRQZFAH-CQSZACIVSA-N 0 3 250.342 2.692 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1C)C(C)C ZINC000173927737 379802119 /nfs/dbraw/zinc/80/21/19/379802119.db2.gz DGKJHJQORXOUFV-CVEARBPZSA-N 0 3 293.455 2.879 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000334689308 379771659 /nfs/dbraw/zinc/77/16/59/379771659.db2.gz WXRIWLHTTUXBLM-GZMMTYOYSA-N 0 3 264.325 2.638 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC000335755888 379838096 /nfs/dbraw/zinc/83/80/96/379838096.db2.gz KIEVCOLZJSAIFL-DTWKUNHWSA-N 0 3 264.275 2.570 20 30 CFEDHN Cc1nc2ccccc2n1CCCNCc1ccc(C#N)o1 ZINC000174242844 379850190 /nfs/dbraw/zinc/85/01/90/379850190.db2.gz HJYSLWOAFWQYOW-UHFFFAOYSA-N 0 3 294.358 2.989 20 30 CFEDHN N#Cc1ccc(CNCCCOCCc2ccccc2)o1 ZINC000174283194 379858185 /nfs/dbraw/zinc/85/81/85/379858185.db2.gz UBIOJCOXCXOVHC-UHFFFAOYSA-N 0 3 284.359 2.890 20 30 CFEDHN C=CCc1cc(CNCC(C)(C)OC)cc(OC)c1O ZINC000174594653 379916280 /nfs/dbraw/zinc/91/62/80/379916280.db2.gz VWWGXBOXAYWLLM-UHFFFAOYSA-N 0 3 279.380 2.644 20 30 CFEDHN COc1ccccc1O[C@H](C)CNCc1ccc(C#N)o1 ZINC000174607461 379917449 /nfs/dbraw/zinc/91/74/49/379917449.db2.gz GVIFULREDHRPMD-GFCCVEGCSA-N 0 3 286.331 2.717 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264454659 383741097 /nfs/dbraw/zinc/74/10/97/383741097.db2.gz HGALRTHJIYXLNG-QGZVFWFLSA-N 0 3 297.402 2.760 20 30 CFEDHN CC[C@H]1CCCCN1CCNCc1ccc(C#N)o1 ZINC000174386438 379874883 /nfs/dbraw/zinc/87/48/83/379874883.db2.gz CXSHVUGBRLIWKH-ZDUSSCGKSA-N 0 3 261.369 2.505 20 30 CFEDHN CN(C)Cc1cc(CNCc2ccc(C#N)o2)ccc1F ZINC000174399285 379878311 /nfs/dbraw/zinc/87/83/11/379878311.db2.gz ACHYIGBYYGKUPG-UHFFFAOYSA-N 0 3 287.338 2.642 20 30 CFEDHN CC(C)(C)n1cc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000174560909 379908283 /nfs/dbraw/zinc/90/82/83/379908283.db2.gz PPRDPQSIMICCIL-UHFFFAOYSA-N 0 3 298.390 2.678 20 30 CFEDHN C[C@H]1CSC[C@H]1NCc1ccc(C#N)cc1F ZINC000335202057 380000135 /nfs/dbraw/zinc/00/01/35/380000135.db2.gz PXBCLEMYHLLVFN-TVQRCGJNSA-N 0 3 250.342 2.538 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000335888936 380056189 /nfs/dbraw/zinc/05/61/89/380056189.db2.gz ASDJAEIDIBVGGB-KGLIPLIRSA-N 0 3 262.378 2.763 20 30 CFEDHN C=CCCCC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000175348512 380048375 /nfs/dbraw/zinc/04/83/75/380048375.db2.gz BHAKSCAMSZDKDF-UHFFFAOYSA-N 0 3 290.407 2.600 20 30 CFEDHN C=CCCCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000571971255 383743034 /nfs/dbraw/zinc/74/30/34/383743034.db2.gz PQFPCISVBKVEIG-HNNXBMFYSA-N 0 3 271.364 2.763 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000336338474 380324090 /nfs/dbraw/zinc/32/40/90/380324090.db2.gz SNVJBPFYMMEFBO-GXTWGEPZSA-N 0 3 254.333 2.900 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)cn1 ZINC000177344038 380332348 /nfs/dbraw/zinc/33/23/48/380332348.db2.gz RXUDTHCLESWFNC-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN N#Cc1ccc(CN[C@H]2COc3ccccc3C2)s1 ZINC000176957780 380286564 /nfs/dbraw/zinc/28/65/64/380286564.db2.gz PCFWFKDEXQGNLK-GFCCVEGCSA-N 0 3 270.357 2.713 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2cc(C#N)cs2)C1(C)C ZINC000177708356 380371227 /nfs/dbraw/zinc/37/12/27/380371227.db2.gz PJIKIDRGXMZGJM-OCCSQVGLSA-N 0 3 264.394 2.913 20 30 CFEDHN C=CCN1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 ZINC000264471717 383745134 /nfs/dbraw/zinc/74/51/34/383745134.db2.gz SAGISAMGBKPFDP-UHFFFAOYSA-N 0 3 282.391 2.504 20 30 CFEDHN C=CCCCNC(=O)Nc1cccc(CN(C)C)c1 ZINC000279114267 194289108 /nfs/dbraw/zinc/28/91/08/194289108.db2.gz KWBAPRPJMXTCEO-UHFFFAOYSA-N 0 3 261.369 2.836 20 30 CFEDHN Cc1cc(CN2CCC[C@@](C)(O)CC2)ccc1C#N ZINC000336608164 380540361 /nfs/dbraw/zinc/54/03/61/380540361.db2.gz QCXSUDCQVBTRMX-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN C=CCCN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000336686809 380592375 /nfs/dbraw/zinc/59/23/75/380592375.db2.gz TZQPNECGKUDGJV-GFCCVEGCSA-N 0 3 288.160 2.787 20 30 CFEDHN C#CCSCCN[C@@H]1CCCc2nc(C)sc21 ZINC000181095615 380738385 /nfs/dbraw/zinc/73/83/85/380738385.db2.gz FJEONBDNVQACMI-LLVKDONJSA-N 0 3 266.435 2.785 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(OC)cc1F ZINC000181100441 380739592 /nfs/dbraw/zinc/73/95/92/380739592.db2.gz RRSPDKBYMPBUOU-LLVKDONJSA-N 0 3 267.369 2.851 20 30 CFEDHN C#CCSCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000181100098 380740050 /nfs/dbraw/zinc/74/00/50/380740050.db2.gz GIMNKDNGUMXOKW-OAHLLOKOSA-N 0 3 291.416 2.865 20 30 CFEDHN CC(C)(C)[C@@H](CCO)NCc1ccc(C#N)cc1F ZINC000181458441 380797870 /nfs/dbraw/zinc/79/78/70/380797870.db2.gz XCYGXKXWVWIKHX-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CCc1cc(CN(C)CCOCC)cc(OC)c1O ZINC000181480823 380803547 /nfs/dbraw/zinc/80/35/47/380803547.db2.gz XNQFHLZNQRKVMW-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000181540983 380821375 /nfs/dbraw/zinc/82/13/75/380821375.db2.gz HBWREZNYRQDNRY-CYBMUJFWSA-N 0 3 282.343 2.993 20 30 CFEDHN C=C(C)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181295573 380770797 /nfs/dbraw/zinc/77/07/97/380770797.db2.gz RRAUJQXBGYDWBX-GFCCVEGCSA-N 0 3 260.337 2.870 20 30 CFEDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NCCC#N)C[C@@H]2C1 ZINC000400938031 380865877 /nfs/dbraw/zinc/86/58/77/380865877.db2.gz RMZSOFOIKUCDAV-BFHYXJOUSA-N 0 3 293.411 2.525 20 30 CFEDHN CO[C@H]1CCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000341253651 380867318 /nfs/dbraw/zinc/86/73/18/380867318.db2.gz DBWWNXNKBHNNRK-ZFWWWQNUSA-N 0 3 262.328 2.602 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc2cc(OC)ccc2o1 ZINC000341259802 380874190 /nfs/dbraw/zinc/87/41/90/380874190.db2.gz BJIXOTDGHNTFPQ-LBPRGKRZSA-N 0 3 275.348 2.716 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H](CO)CC=C ZINC000341259235 380874358 /nfs/dbraw/zinc/87/43/58/380874358.db2.gz BEPIFAQNOFYPIO-AWEZNQCLSA-N 0 3 261.365 2.526 20 30 CFEDHN Cc1cccc(CCN2CCC(CCC#N)CC2)n1 ZINC000399796909 380846062 /nfs/dbraw/zinc/84/60/62/380846062.db2.gz UDEMFWKOTKUTQL-UHFFFAOYSA-N 0 3 257.381 2.948 20 30 CFEDHN COC[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358557480 380925425 /nfs/dbraw/zinc/92/54/25/380925425.db2.gz BUJJSZSZYNZFOS-WDEREUQCSA-N 0 3 250.317 2.630 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)C[C@H](C)C1 ZINC000408437502 380926721 /nfs/dbraw/zinc/92/67/21/380926721.db2.gz WBEXBQLKCVQCCN-DLTWYDFYSA-N 0 3 293.455 2.797 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358559249 380926646 /nfs/dbraw/zinc/92/66/46/380926646.db2.gz PCVCBPPYXCTUJN-AAEUAGOBSA-N 0 3 262.328 2.533 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)C[C@H](C)C1 ZINC000408437503 380927221 /nfs/dbraw/zinc/92/72/21/380927221.db2.gz WBEXBQLKCVQCCN-JYYAWHABSA-N 0 3 293.455 2.797 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(CN[C@H]2CCC[C@@H]2C#N)CC1 ZINC000408465364 380928503 /nfs/dbraw/zinc/92/85/03/380928503.db2.gz IUZNSJTUEONVSP-CABCVRRESA-N 0 3 291.439 2.553 20 30 CFEDHN CC[C@H](O)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358562588 380930167 /nfs/dbraw/zinc/93/01/67/380930167.db2.gz HIDCFHGSQXBCNT-YPMHNXCESA-N 0 3 264.344 2.899 20 30 CFEDHN CC[C@@H](O)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358562586 380930309 /nfs/dbraw/zinc/93/03/09/380930309.db2.gz HIDCFHGSQXBCNT-DGCLKSJQSA-N 0 3 264.344 2.899 20 30 CFEDHN C=C(CC)CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000358510721 380895428 /nfs/dbraw/zinc/89/54/28/380895428.db2.gz PNPMRNHRAYKOIZ-UHFFFAOYSA-N 0 3 278.421 2.909 20 30 CFEDHN CC(C)OCC(C)(C)NCc1ccc(C#N)c(F)c1 ZINC000404078417 380899481 /nfs/dbraw/zinc/89/94/81/380899481.db2.gz RLFMTBGSNWYDHP-UHFFFAOYSA-N 0 3 264.344 2.991 20 30 CFEDHN CCN1CCc2c(cccc2NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000368038201 380899641 /nfs/dbraw/zinc/89/96/41/380899641.db2.gz UVDNCPQNHLPJFK-UHFFFAOYSA-N 0 3 294.358 2.517 20 30 CFEDHN CC(C)(C)C[C@@H](CO)NCc1ccc(C#N)c(F)c1 ZINC000404115135 380900316 /nfs/dbraw/zinc/90/03/16/380900316.db2.gz BYJWPTOSGWUTRY-ZDUSSCGKSA-N 0 3 264.344 2.584 20 30 CFEDHN C[C@H](CO)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358552573 380919759 /nfs/dbraw/zinc/91/97/59/380919759.db2.gz GHOXAFYSRNSVGC-RYUDHWBXSA-N 0 3 264.344 2.757 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000295531944 380919969 /nfs/dbraw/zinc/91/99/69/380919969.db2.gz NLAVGWDAQMLYQU-LSDHHAIUSA-N 0 3 272.392 2.760 20 30 CFEDHN CCN(CCN[C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358558621 380924912 /nfs/dbraw/zinc/92/49/12/380924912.db2.gz CQMLWWQDFKNRBT-LBPRGKRZSA-N 0 3 275.371 2.832 20 30 CFEDHN CN(C)[C@H](CNc1cc(C#N)ccn1)Cc1ccccc1 ZINC000341354105 380960625 /nfs/dbraw/zinc/96/06/25/380960625.db2.gz WDWCISUQBMIHRQ-INIZCTEOSA-N 0 3 280.375 2.538 20 30 CFEDHN C=C(CC)CN1CCN(CCc2ccccc2)CC1 ZINC000358622375 380974340 /nfs/dbraw/zinc/97/43/40/380974340.db2.gz CTMLUPUNUVPSLW-UHFFFAOYSA-N 0 3 258.409 2.813 20 30 CFEDHN CCn1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000353953547 380982084 /nfs/dbraw/zinc/98/20/84/380982084.db2.gz FUJHTUIKCKIHTQ-KRWDZBQOSA-N 0 3 280.375 2.942 20 30 CFEDHN CCN1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567069 380935095 /nfs/dbraw/zinc/93/50/95/380935095.db2.gz JAIRQAIAKKESJQ-GXTWGEPZSA-N 0 3 275.371 2.832 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(C)ccc1OC(F)F ZINC000341324414 380935476 /nfs/dbraw/zinc/93/54/76/380935476.db2.gz RRTCMXABYRZKED-GFCCVEGCSA-N 0 3 285.334 2.871 20 30 CFEDHN CCCN(Cc1ccccc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411132728 381009356 /nfs/dbraw/zinc/00/93/56/381009356.db2.gz YJENBARPJZKGHT-HNNXBMFYSA-N 0 3 299.418 2.850 20 30 CFEDHN N#CC1(CCN2CCCC[C@H]2CO)CCCCC1 ZINC000411164628 381013206 /nfs/dbraw/zinc/01/32/06/381013206.db2.gz IKAQAXRVFKUZFO-AWEZNQCLSA-N 0 3 250.386 2.697 20 30 CFEDHN COc1ccc2c(c1)CCN([C@H](C)CCC#N)CC2 ZINC000411411820 381025633 /nfs/dbraw/zinc/02/56/33/381025633.db2.gz WAQXCCCLUNJKAU-CYBMUJFWSA-N 0 3 258.365 2.788 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000411508297 381029886 /nfs/dbraw/zinc/02/98/86/381029886.db2.gz SDUDXRUFQABFPR-DZGCQCFKSA-N 0 3 268.364 2.975 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)ccc1F)[C@H]1CCCO1 ZINC000182287137 381051225 /nfs/dbraw/zinc/05/12/25/381051225.db2.gz CJKAYRQTPCUJKQ-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCO2)CC1 ZINC000368521045 381054164 /nfs/dbraw/zinc/05/41/64/381054164.db2.gz BBSOHCGSEUQEDP-ZDUSSCGKSA-N 0 3 256.349 2.874 20 30 CFEDHN N=C(NO)[C@@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000368527671 381055522 /nfs/dbraw/zinc/05/55/22/381055522.db2.gz ZMWIFBPEZZMQQO-AWEZNQCLSA-N 0 3 291.782 2.502 20 30 CFEDHN C=CCC1(C(=O)N(C)C[C@H]2CCCN(C)C2)CCC1 ZINC000358754921 381058365 /nfs/dbraw/zinc/05/83/65/381058365.db2.gz SAZWHGPMVPPFRH-AWEZNQCLSA-N 0 3 264.413 2.533 20 30 CFEDHN COc1cc(C)nc(CNCCc2cccc(C#N)c2)c1 ZINC000341486197 381042499 /nfs/dbraw/zinc/04/24/99/381042499.db2.gz MUQTUPBLHOVSCQ-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN COCC1(C)CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000358737167 381044981 /nfs/dbraw/zinc/04/49/81/381044981.db2.gz NWUAYPWRYOPLSU-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN C#C[C@H](C)N[C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000289652971 381085505 /nfs/dbraw/zinc/08/55/05/381085505.db2.gz YECHQRUTEBFHLL-WDEREUQCSA-N 0 3 264.756 2.668 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](CC)C(C)(C)C)CC1 ZINC000358818036 381102277 /nfs/dbraw/zinc/10/22/77/381102277.db2.gz NQFFJQIFHTZBDZ-AWEZNQCLSA-N 0 3 281.444 2.761 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H](C)C1(OC)CCC1 ZINC000412027040 381102850 /nfs/dbraw/zinc/10/28/50/381102850.db2.gz UPXJXQXNMQSJNZ-LBPRGKRZSA-N 0 3 274.364 2.614 20 30 CFEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289686802 381103024 /nfs/dbraw/zinc/10/30/24/381103024.db2.gz ZYFMMKVFILNOSS-RYUDHWBXSA-N 0 3 278.783 2.977 20 30 CFEDHN C#C[C@@H](NCc1c[nH]nc1-c1ccccc1F)C(C)C ZINC000289685911 381104280 /nfs/dbraw/zinc/10/42/80/381104280.db2.gz ZVNUVPYEPGSPEH-OAHLLOKOSA-N 0 3 271.339 2.963 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@H]2c2ccccc2)CC1 ZINC000358832693 381112250 /nfs/dbraw/zinc/11/22/50/381112250.db2.gz SBHGWEDMQFRGBZ-KRWDZBQOSA-N 0 3 299.418 2.793 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000289729111 381123739 /nfs/dbraw/zinc/12/37/39/381123739.db2.gz KAGSXKUBQGUXMY-AAEUAGOBSA-N 0 3 271.307 2.876 20 30 CFEDHN C[C@@H](CSc1nc2c(cc1C#N)CCCC2)N(C)C ZINC000358849390 381120311 /nfs/dbraw/zinc/12/03/11/381120311.db2.gz CHIINUAPRZPOHC-NSHDSACASA-N 0 3 275.421 2.874 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1ccc(F)c(C#N)c1)C1CC1 ZINC000411976437 381079145 /nfs/dbraw/zinc/07/91/45/381079145.db2.gz WQBOKTKRCOJGIS-ZBEGNZNMSA-N 0 3 276.355 2.991 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCc2cc(Br)ccc21 ZINC000289758800 381140913 /nfs/dbraw/zinc/14/09/13/381140913.db2.gz LMGSLZXTCXHHNJ-DGCLKSJQSA-N 0 3 282.181 2.573 20 30 CFEDHN C[C@H]1CCSCCN1CCOc1ccc(C#N)cc1 ZINC000279356157 194397606 /nfs/dbraw/zinc/39/76/06/194397606.db2.gz VXZOFYUQLWTIIL-ZDUSSCGKSA-N 0 3 276.405 2.764 20 30 CFEDHN CCCC[C@H](C)N(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000289815708 381171870 /nfs/dbraw/zinc/17/18/70/381171870.db2.gz JAPPEFMTYHTNHS-AWEZNQCLSA-N 0 3 287.407 2.685 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000354278226 381178745 /nfs/dbraw/zinc/17/87/45/381178745.db2.gz SAQDYQBVZAUMJY-BPLDGKMQSA-N 0 3 286.375 2.646 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000289879638 381200634 /nfs/dbraw/zinc/20/06/34/381200634.db2.gz RXZSKYOYJKOSLS-IAQYHMDHSA-N 0 3 256.349 2.682 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)CO ZINC000354421043 381254832 /nfs/dbraw/zinc/25/48/32/381254832.db2.gz HIZKSKOUTXSHNC-JTQLQIEISA-N 0 3 286.297 2.780 20 30 CFEDHN C#Cc1ccc(CN2CCC(OCCCOC)CC2)cc1 ZINC000290001557 381254884 /nfs/dbraw/zinc/25/48/84/381254884.db2.gz LGIYSIJYTOJBCE-UHFFFAOYSA-N 0 3 287.403 2.685 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1 ZINC000342225253 381222185 /nfs/dbraw/zinc/22/21/85/381222185.db2.gz NHEUWRPCZKQSCY-OLZOCXBDSA-N 0 3 253.292 2.995 20 30 CFEDHN N#CCCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183189512 381232905 /nfs/dbraw/zinc/23/29/05/381232905.db2.gz AXQVZELLMODANK-UHFFFAOYSA-N 0 3 286.301 2.843 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CCN(C2CC2)C1 ZINC000296082262 381247930 /nfs/dbraw/zinc/24/79/30/381247930.db2.gz QPXPFFOGIDIUHH-CYBMUJFWSA-N 0 3 287.382 2.613 20 30 CFEDHN C[C@@H]1CSC[C@@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000342352679 381291099 /nfs/dbraw/zinc/29/10/99/381291099.db2.gz YOCNQZACZJEDPY-SNPRPXQTSA-N 0 3 288.416 2.627 20 30 CFEDHN C=CC[C@H](C)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000342359561 381295102 /nfs/dbraw/zinc/29/51/02/381295102.db2.gz MCZKNCFMVFPXAU-KBPBESRZSA-N 0 3 252.402 2.578 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC(C)(C)CC(C)(C)C1 ZINC000342364022 381297674 /nfs/dbraw/zinc/29/76/74/381297674.db2.gz PCAGFPDHHYBFNP-CQSZACIVSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000342336677 381284295 /nfs/dbraw/zinc/28/42/95/381284295.db2.gz WRRGGPJYBYZUAG-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC(C)(C)CC(C)(C)C1 ZINC000342341326 381285422 /nfs/dbraw/zinc/28/54/22/381285422.db2.gz SUNVJSCQIWBFAY-ZDUSSCGKSA-N 0 3 279.428 2.505 20 30 CFEDHN CCCCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C1(C)C ZINC000354511972 381311536 /nfs/dbraw/zinc/31/15/36/381311536.db2.gz NKTWJBDTSKXNKP-RWMBFGLXSA-N 0 3 266.385 2.588 20 30 CFEDHN C[C@H](NC[C@H](O)Cc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000296245943 381318578 /nfs/dbraw/zinc/31/85/78/381318578.db2.gz BAMLDOOWCDBFMV-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN CCC(=O)Nc1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000049457646 412944700 /nfs/dbraw/zinc/94/47/00/412944700.db2.gz YBAZPTXMKGSZLX-AWEZNQCLSA-N 0 3 293.326 2.920 20 30 CFEDHN C=CCCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000290272713 381366102 /nfs/dbraw/zinc/36/61/02/381366102.db2.gz AHWDQYAJCSSPDW-CQSZACIVSA-N 0 3 264.344 2.511 20 30 CFEDHN COC(=O)c1cc(CN[C@@H](C)c2ccc(C#N)cc2)cn1C ZINC000347916556 381413693 /nfs/dbraw/zinc/41/36/93/381413693.db2.gz SVTWJFHBALICDK-LBPRGKRZSA-N 0 3 297.358 2.534 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)c1nccs1 ZINC000184288976 381397499 /nfs/dbraw/zinc/39/74/99/381397499.db2.gz TZLAFTFPJWITAA-VIFPVBQESA-N 0 3 263.391 2.970 20 30 CFEDHN C[C@H](CNCc1cnc2ccc(C#N)cn12)c1nccs1 ZINC000184289644 381397805 /nfs/dbraw/zinc/39/78/05/381397805.db2.gz KPEODAMNXGXBJQ-LLVKDONJSA-N 0 3 297.387 2.556 20 30 CFEDHN CC(C)C[C@@H]1CCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000354684018 381402309 /nfs/dbraw/zinc/40/23/09/381402309.db2.gz MSXWZMNALCQKJI-KRWDZBQOSA-N 0 3 299.418 2.685 20 30 CFEDHN COc1ccc(C#N)cc1CN(C)CC[C@H]1CCCO1 ZINC000342594849 381422921 /nfs/dbraw/zinc/42/29/21/381422921.db2.gz GDWYHBUHUZJOGB-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000296524999 381433722 /nfs/dbraw/zinc/43/37/22/381433722.db2.gz ZWRGDAPEHORZCZ-GOSISDBHSA-N 0 3 297.402 2.618 20 30 CFEDHN CN(CC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348212423 381472258 /nfs/dbraw/zinc/47/22/58/381472258.db2.gz WNACESFAYHOBCC-OAHLLOKOSA-N 0 3 283.375 2.745 20 30 CFEDHN C=CCOCCCN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000348055300 381458111 /nfs/dbraw/zinc/45/81/11/381458111.db2.gz POOCEQSMQAUVMQ-CQSZACIVSA-N 0 3 283.412 2.633 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@H](N3CCCCC3)C2)CCC1 ZINC000359552250 381463384 /nfs/dbraw/zinc/46/33/84/381463384.db2.gz NGJFFZHLCULEHR-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000348179719 381467024 /nfs/dbraw/zinc/46/70/24/381467024.db2.gz GYDRQSXRMCOARL-UHFFFAOYSA-N 0 3 276.336 2.872 20 30 CFEDHN C=CCOCCCN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000348172765 381467932 /nfs/dbraw/zinc/46/79/32/381467932.db2.gz ZBYYWGTVSUUWRC-UHFFFAOYSA-N 0 3 265.401 2.732 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000348184682 381470326 /nfs/dbraw/zinc/47/03/26/381470326.db2.gz LMGRCDHWRKYJTH-BBBYJDLNSA-N 0 3 278.440 2.968 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1cnccc1C#N ZINC000290629888 381505104 /nfs/dbraw/zinc/50/51/04/381505104.db2.gz MMDRHJWILCUQRM-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C=CCCN(C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000342737871 381509335 /nfs/dbraw/zinc/50/93/35/381509335.db2.gz LKHUTPZCQSFZTQ-AWEZNQCLSA-N 0 3 278.783 2.953 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000342735740 381509401 /nfs/dbraw/zinc/50/94/01/381509401.db2.gz JBUCWVNOKYAQCL-CQSZACIVSA-N 0 3 260.381 2.541 20 30 CFEDHN CC[C@@H](NCc1cccc(C#N)c1F)[C@H]1CCCO1 ZINC000348333079 381513569 /nfs/dbraw/zinc/51/35/69/381513569.db2.gz BRVOGFJSJBSTTP-ZIAGYGMSSA-N 0 3 262.328 2.745 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000185035715 381519261 /nfs/dbraw/zinc/51/92/61/381519261.db2.gz ZUIBDTPARSACKF-QGZVFWFLSA-N 0 3 298.430 2.989 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000342716263 381495718 /nfs/dbraw/zinc/49/57/18/381495718.db2.gz BWSFWXLNJWTKIG-GFCCVEGCSA-N 0 3 296.361 2.992 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000184924687 381496730 /nfs/dbraw/zinc/49/67/30/381496730.db2.gz BGDVBRBPZQBEPE-CQSZACIVSA-N 0 3 274.408 2.967 20 30 CFEDHN C=CCCN(C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000342721448 381500576 /nfs/dbraw/zinc/50/05/76/381500576.db2.gz MAJMQVOZCBJKIK-HNNXBMFYSA-N 0 3 276.355 2.829 20 30 CFEDHN C[C@@H](C1CCC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348397163 381550342 /nfs/dbraw/zinc/55/03/42/381550342.db2.gz GFBDKDVLRHNIOC-GUYCJALGSA-N 0 3 295.386 2.888 20 30 CFEDHN C[C@@H](C1CCC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348397164 381550903 /nfs/dbraw/zinc/55/09/03/381550903.db2.gz GFBDKDVLRHNIOC-SUMWQHHRSA-N 0 3 295.386 2.888 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000185053508 381524227 /nfs/dbraw/zinc/52/42/27/381524227.db2.gz AOGHWRPFHGOASK-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296751631 381527925 /nfs/dbraw/zinc/52/79/25/381527925.db2.gz PSNGBDWPOHPHRH-SMDDNHRTSA-N 0 3 264.325 2.573 20 30 CFEDHN CC1(C)CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000348400598 381552170 /nfs/dbraw/zinc/55/21/70/381552170.db2.gz OHZJAMCKTRBKCS-HOTGVXAUSA-N 0 3 295.386 2.935 20 30 CFEDHN C[C@H](CCC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348449832 381572697 /nfs/dbraw/zinc/57/26/97/381572697.db2.gz YGLRZXKSUMZTMZ-CXAGYDPISA-N 0 3 295.386 2.935 20 30 CFEDHN N#CCOc1cccc(NC2CCN(C3CC3)CC2)c1 ZINC000297607193 381567012 /nfs/dbraw/zinc/56/70/12/381567012.db2.gz KHYQXOJPEDSERI-UHFFFAOYSA-N 0 3 271.364 2.628 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(Br)nc1 ZINC000290841860 381570995 /nfs/dbraw/zinc/57/09/95/381570995.db2.gz YPZCUVSNMNVIJO-SNVBAGLBSA-N 0 3 299.237 2.861 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CCOC(C)C)C(C)C ZINC000298381999 381602557 /nfs/dbraw/zinc/60/25/57/381602557.db2.gz CEKBRPCEPFOVLZ-MRXNPFEDSA-N 0 3 296.455 2.616 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1nccn1C ZINC000414532730 381593957 /nfs/dbraw/zinc/59/39/57/381593957.db2.gz HXURMXBAZNRLMA-HNNXBMFYSA-N 0 3 255.365 2.697 20 30 CFEDHN C=CCCC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000185321683 381595145 /nfs/dbraw/zinc/59/51/45/381595145.db2.gz BGWRNJLDVYHWSC-QGZVFWFLSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCOc1ccccc1CN(C)[C@@H]1CCC[C@@H]1O ZINC000348547053 381626277 /nfs/dbraw/zinc/62/62/77/381626277.db2.gz NZPJTJQAGUEGPH-CABCVRRESA-N 0 3 261.365 2.597 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)Nc1cccnc1C#N ZINC000291046150 381645561 /nfs/dbraw/zinc/64/55/61/381645561.db2.gz DCTXERYDDWFVOP-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](Cc3ccncc3)C2)o1 ZINC000371681946 381676480 /nfs/dbraw/zinc/67/64/80/381676480.db2.gz UWVHAYYRQUABGO-AWEZNQCLSA-N 0 3 267.332 2.611 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](Cc3ccncc3)C2)o1 ZINC000371681947 381677002 /nfs/dbraw/zinc/67/70/02/381677002.db2.gz UWVHAYYRQUABGO-CQSZACIVSA-N 0 3 267.332 2.611 20 30 CFEDHN C=CCCOCCN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000371734216 381688793 /nfs/dbraw/zinc/68/87/93/381688793.db2.gz DVGVUPDSVNPCCN-AWEZNQCLSA-N 0 3 292.354 2.781 20 30 CFEDHN CC[C@@H]1[C@H](C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000185651852 381693284 /nfs/dbraw/zinc/69/32/84/381693284.db2.gz ZEGLJEIZHVFLCB-IUODEOHRSA-N 0 3 271.364 2.617 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)o1)[C@@H](c1ccccc1)N(C)C ZINC000185679075 381704633 /nfs/dbraw/zinc/70/46/33/381704633.db2.gz NRLRAFQFQGAMHD-DYVFJYSZSA-N 0 3 283.375 2.932 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000355319390 381750180 /nfs/dbraw/zinc/75/01/80/381750180.db2.gz RAYQOYWWTJXZTA-HIFRSBDPSA-N 0 3 293.374 2.596 20 30 CFEDHN CCC[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000185856014 381757445 /nfs/dbraw/zinc/75/74/45/381757445.db2.gz GYAVNLUQTUNTKH-HOCLYGCPSA-N 0 3 279.428 2.695 20 30 CFEDHN CC(C)(C)OC(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000298819108 381757877 /nfs/dbraw/zinc/75/78/77/381757877.db2.gz FXJXVSIUUWAMTQ-UHFFFAOYSA-N 0 3 286.375 2.869 20 30 CFEDHN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1OC ZINC000185755338 381724230 /nfs/dbraw/zinc/72/42/30/381724230.db2.gz IGQICIBHKLPAEU-TZMCWYRMSA-N 0 3 274.364 2.876 20 30 CFEDHN C=CCCC1(C(=O)NC2CCN(CC(=C)C)CC2)CC1 ZINC000355651243 381789278 /nfs/dbraw/zinc/78/92/78/381789278.db2.gz ADOQNCPYSUJPFA-UHFFFAOYSA-N 0 3 276.424 2.890 20 30 CFEDHN Cc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292058838 381789481 /nfs/dbraw/zinc/78/94/81/381789481.db2.gz BVFXDVCUTBORGE-QGZVFWFLSA-N 0 3 293.370 2.915 20 30 CFEDHN CCN(CCNC(=O)C[C@H](CC#N)c1ccccc1)C1CC1 ZINC000355634272 381789971 /nfs/dbraw/zinc/78/99/71/381789971.db2.gz KNZLJDSYRHGKJT-INIZCTEOSA-N 0 3 299.418 2.674 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1CCC ZINC000343563146 381798982 /nfs/dbraw/zinc/79/89/82/381798982.db2.gz GGUGFJICWCIDLM-DZGCQCFKSA-N 0 3 252.402 2.579 20 30 CFEDHN COC(=O)c1cccc(CNCc2cccc(C#N)c2)c1 ZINC000348933345 381770516 /nfs/dbraw/zinc/77/05/16/381770516.db2.gz ISIFGIPVOPKJGP-UHFFFAOYSA-N 0 3 280.327 2.635 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000343529181 381776956 /nfs/dbraw/zinc/77/69/56/381776956.db2.gz MFLBGDWTPBMSIG-KGLIPLIRSA-N 0 3 298.308 2.640 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H]2CCCN(C)[C@@H]2C)c1C#N ZINC000343599757 381830055 /nfs/dbraw/zinc/83/00/55/381830055.db2.gz PEFHENSSSGSWOB-ZWNOBZJWSA-N 0 3 278.787 2.810 20 30 CFEDHN CC(C)c1nc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000361434118 381830831 /nfs/dbraw/zinc/83/08/31/381830831.db2.gz ACXWURPFAZHSIQ-SDDRHHMPSA-N 0 3 261.373 2.661 20 30 CFEDHN COCCOc1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000361463510 381832068 /nfs/dbraw/zinc/83/20/68/381832068.db2.gz MHNOCCIBKSRZNV-HOCLYGCPSA-N 0 3 288.391 2.884 20 30 CFEDHN C=CC[C@@H](CC)NCc1cc(C(=O)OCC)co1 ZINC000343608093 381836180 /nfs/dbraw/zinc/83/61/80/381836180.db2.gz UCUZWPYHBCUBPF-GFCCVEGCSA-N 0 3 251.326 2.901 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](C(C)(C)C)C1 ZINC000361550511 381841839 /nfs/dbraw/zinc/84/18/39/381841839.db2.gz RPOPYGKAEDEFST-ZIAGYGMSSA-N 0 3 291.439 2.695 20 30 CFEDHN CN(CCC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000343616572 381843904 /nfs/dbraw/zinc/84/39/04/381843904.db2.gz SGALSABLXZEYET-UHFFFAOYSA-N 0 3 288.391 2.916 20 30 CFEDHN C#CCN(CC)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000299151580 381844316 /nfs/dbraw/zinc/84/43/16/381844316.db2.gz FPPJVIVMFNZGOD-CJNGLKHVSA-N 0 3 295.810 2.734 20 30 CFEDHN C=CCCCNC(=O)CCN1CCc2ccccc2C1 ZINC000416227782 381883941 /nfs/dbraw/zinc/88/39/41/381883941.db2.gz XOJLLXRINNKYSA-UHFFFAOYSA-N 0 3 272.392 2.517 20 30 CFEDHN C=CCN1CCC(Nc2nc(C)c(C#N)cc2Cl)CC1 ZINC000292814894 381848510 /nfs/dbraw/zinc/84/85/10/381848510.db2.gz ZIWNIWMUIKXAIV-UHFFFAOYSA-N 0 3 290.798 2.977 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@H](CC)c2ccccc2)C1=O ZINC000343628734 381854079 /nfs/dbraw/zinc/85/40/79/381854079.db2.gz WWPFXERPYKKPIR-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCN(CCOC)[C@H](CCOC)c1ccccc1 ZINC000362051168 381886082 /nfs/dbraw/zinc/88/60/82/381886082.db2.gz ZDXNVEMMNJPGRY-MRXNPFEDSA-N 0 3 263.381 2.899 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000361862346 381869908 /nfs/dbraw/zinc/86/99/08/381869908.db2.gz MYMMPBTWQXVQLU-ZWKOTPCHSA-N 0 3 269.388 2.787 20 30 CFEDHN C=CCc1cc(CNC[C@@H](OC)C2CC2)cc(OC)c1O ZINC000292936619 381910451 /nfs/dbraw/zinc/91/04/51/381910451.db2.gz HNIWDHGOQYDOHH-MRXNPFEDSA-N 0 3 291.391 2.644 20 30 CFEDHN CC(C)OC[C@H](O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000299372669 381914076 /nfs/dbraw/zinc/91/40/76/381914076.db2.gz HAAAXDIATVOTMN-QGZVFWFLSA-N 0 3 290.407 2.555 20 30 CFEDHN C[C@@H](COCC(F)(F)F)NCc1cc(C#N)cs1 ZINC000343743923 381919098 /nfs/dbraw/zinc/91/90/98/381919098.db2.gz WPAXDEOEUHCFBB-QMMMGPOBSA-N 0 3 278.299 2.677 20 30 CFEDHN C[C@H](COCC(F)(F)F)NCc1cc(C#N)cs1 ZINC000343743922 381919547 /nfs/dbraw/zinc/91/95/47/381919547.db2.gz WPAXDEOEUHCFBB-MRVPVSSYSA-N 0 3 278.299 2.677 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000343772703 381935261 /nfs/dbraw/zinc/93/52/61/381935261.db2.gz WYUMODQDIGQSIA-GJZGRUSLSA-N 0 3 266.429 2.968 20 30 CFEDHN CC(C)[C@@H](NCc1cc(C#N)ccc1F)C1(CO)CCC1 ZINC000293116994 381996486 /nfs/dbraw/zinc/99/64/86/381996486.db2.gz RFPHTRXTNDWEGW-MRXNPFEDSA-N 0 3 290.382 2.974 20 30 CFEDHN CC(C)[C@H]1CN(CCOc2ccccc2C#N)CCCO1 ZINC000293118840 381996516 /nfs/dbraw/zinc/99/65/16/381996516.db2.gz MDBCSNYQPXUHBL-QGZVFWFLSA-N 0 3 288.391 2.684 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](OC)C2CC2)cc1OC ZINC000293069904 381977391 /nfs/dbraw/zinc/97/73/91/381977391.db2.gz SUKBERFECQIBOE-QGZVFWFLSA-N 0 3 291.391 2.775 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000343854300 381983207 /nfs/dbraw/zinc/98/32/07/381983207.db2.gz ITFPWKOVLJKIME-HRCADAONSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000186693217 381987652 /nfs/dbraw/zinc/98/76/52/381987652.db2.gz BSYCJJAWJSYBJO-WCBMZHEXSA-N 0 3 259.271 2.692 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000349801597 381990906 /nfs/dbraw/zinc/99/09/06/381990906.db2.gz MFKMHIBQZVIIJS-NVXWUHKLSA-N 0 3 280.375 2.713 20 30 CFEDHN COCCCOc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000349827294 381993432 /nfs/dbraw/zinc/99/34/32/381993432.db2.gz IOGZFFJDTJHJOM-HOCLYGCPSA-N 0 3 288.391 2.884 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(OCC(C)C)c1 ZINC000351579623 382046202 /nfs/dbraw/zinc/04/62/02/382046202.db2.gz JVIWJBIWMULJTH-HNNXBMFYSA-N 0 3 263.381 2.748 20 30 CFEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)C(C)C#N ZINC000343980072 382046436 /nfs/dbraw/zinc/04/64/36/382046436.db2.gz RAHDPZIVTSXWPV-DMRZNYOFSA-N 0 3 286.375 2.614 20 30 CFEDHN C[C@@H](CCC#N)N1CCN(CCC(C)(C)C)CC1 ZINC000351620726 382047708 /nfs/dbraw/zinc/04/77/08/382047708.db2.gz QWJDWXIYIZSZRM-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN CC(C)[C@H]1CN(CCOc2ccc(C#N)cc2)CCCO1 ZINC000293260922 382051090 /nfs/dbraw/zinc/05/10/90/382051090.db2.gz UKAREXZMBBGAAH-QGZVFWFLSA-N 0 3 288.391 2.684 20 30 CFEDHN CC(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362424089 382062490 /nfs/dbraw/zinc/06/24/90/382062490.db2.gz GCARLOKOQLUVJH-UHFFFAOYSA-N 0 3 254.333 2.626 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C2CC2)C1 ZINC000344007832 382064170 /nfs/dbraw/zinc/06/41/70/382064170.db2.gz HDXKQQKXYPICOT-HIFRSBDPSA-N 0 3 264.413 2.531 20 30 CFEDHN CN1CC[C@H]2CCN(c3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000375048818 382066190 /nfs/dbraw/zinc/06/61/90/382066190.db2.gz JSTLVQHUFRBIKD-NHYWBVRUSA-N 0 3 275.783 2.742 20 30 CFEDHN CC(C)N(C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000299667631 382020355 /nfs/dbraw/zinc/02/03/55/382020355.db2.gz INAZMGUZPUBAMW-UHFFFAOYSA-N 0 3 287.407 2.635 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000362370674 382030072 /nfs/dbraw/zinc/03/00/72/382030072.db2.gz MNJNYQLBIXAEIF-GOEBONIOSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000362370676 382030521 /nfs/dbraw/zinc/03/05/21/382030521.db2.gz MNJNYQLBIXAEIF-ZBFHGGJFSA-N 0 3 287.407 2.697 20 30 CFEDHN CCOCC(C)(C)NCc1ccc(F)c(C#N)c1 ZINC000293384915 382102977 /nfs/dbraw/zinc/10/29/77/382102977.db2.gz WNIXYTTUTOAZQM-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@]12CCOC2 ZINC000357317233 382103373 /nfs/dbraw/zinc/10/33/73/382103373.db2.gz FRWPLCGADGCMHY-AEFFLSMTSA-N 0 3 298.386 2.540 20 30 CFEDHN C[C@@H]1OCC[C@]12CN(CCCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000375923038 382110802 /nfs/dbraw/zinc/11/08/02/382110802.db2.gz YNLONDHWASLHDH-VYDXJSESSA-N 0 3 294.439 2.975 20 30 CFEDHN C[C@H]1CCCCN1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357327881 382111173 /nfs/dbraw/zinc/11/11/73/382111173.db2.gz VFOJEUJDYFYKRW-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN C#CCN(CCC1CCOCC1)Cc1ccccc1 ZINC000293453016 382128451 /nfs/dbraw/zinc/12/84/51/382128451.db2.gz WAYQWKCRBFOBDD-UHFFFAOYSA-N 0 3 257.377 2.939 20 30 CFEDHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@H](C2CC2)O1 ZINC000376019252 382117542 /nfs/dbraw/zinc/11/75/42/382117542.db2.gz OEDAYVKSCPDBRM-TZMCWYRMSA-N 0 3 250.386 2.816 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)o2)c1 ZINC000344091833 382124182 /nfs/dbraw/zinc/12/41/82/382124182.db2.gz SMRUCMIITJJQTE-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@@H]3CCCCC[C@H]32)CC1 ZINC000376192972 382124468 /nfs/dbraw/zinc/12/44/68/382124468.db2.gz BSULWOCZGVUZKS-GOEBONIOSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000376305475 382129063 /nfs/dbraw/zinc/12/90/63/382129063.db2.gz QRHWDIDCUFIBBN-MAZHCROVSA-N 0 3 290.382 2.742 20 30 CFEDHN N#Cc1ccc(OCCN2CCCC3(CC3)C2)cc1 ZINC000186992105 382071148 /nfs/dbraw/zinc/07/11/48/382071148.db2.gz GWDHGPVZLSTESE-UHFFFAOYSA-N 0 3 256.349 2.813 20 30 CFEDHN C=CCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375292243 382075252 /nfs/dbraw/zinc/07/52/52/382075252.db2.gz KNKAJGHTXZVEAS-UHFFFAOYSA-N 0 3 252.308 2.663 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCCN(c3ccccc3)CC2)C1 ZINC000293367567 382096039 /nfs/dbraw/zinc/09/60/39/382096039.db2.gz FLCMTGUUKSEWJI-DOTOQJQBSA-N 0 3 269.392 2.891 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)C[C@@H]1CC=CCC1 ZINC000344057462 382097422 /nfs/dbraw/zinc/09/74/22/382097422.db2.gz KKSCRLUBOLNQQS-OAHLLOKOSA-N 0 3 264.413 2.699 20 30 CFEDHN CN(C)[C@H](CNc1cccnc1C#N)Cc1ccccc1 ZINC000357313457 382101490 /nfs/dbraw/zinc/10/14/90/382101490.db2.gz JSRJGNFXYVYYNX-HNNXBMFYSA-N 0 3 280.375 2.538 20 30 CFEDHN CN(C)C1(CN(C)C(=O)Nc2ccc(C#N)cc2)CCC1 ZINC000187422734 382179940 /nfs/dbraw/zinc/17/99/40/382179940.db2.gz DPTLTUPNJFJAHV-UHFFFAOYSA-N 0 3 286.379 2.506 20 30 CFEDHN COc1cccc(N2CC[C@@H](NCc3ccc(C#N)o3)C2)c1 ZINC000344112158 382135517 /nfs/dbraw/zinc/13/55/17/382135517.db2.gz ZSKHDOKHTUXUGN-CYBMUJFWSA-N 0 3 297.358 2.528 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293491467 382143628 /nfs/dbraw/zinc/14/36/28/382143628.db2.gz NDIROBRQZALECF-SFHVURJKSA-N 0 3 298.361 2.733 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344127881 382147226 /nfs/dbraw/zinc/14/72/26/382147226.db2.gz XADPDAWTSUAUAG-GOEBONIOSA-N 0 3 276.424 2.698 20 30 CFEDHN C[C@H]1C[C@@H](N(C)c2cccc(F)c2C#N)CCN1C ZINC000301397969 382168299 /nfs/dbraw/zinc/16/82/99/382168299.db2.gz AKGRWQGYWZXRFL-RYUDHWBXSA-N 0 3 261.344 2.616 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000376956348 382195490 /nfs/dbraw/zinc/19/54/90/382195490.db2.gz FYTJPQWCGFHPDD-MAUKXSAKSA-N 0 3 278.355 2.869 20 30 CFEDHN C[C@@H](O)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187671744 382240256 /nfs/dbraw/zinc/24/02/56/382240256.db2.gz RUSDVUHNRWLOLY-CHWSQXEVSA-N 0 3 258.365 2.712 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000363813484 382247391 /nfs/dbraw/zinc/24/73/91/382247391.db2.gz FYUIZQOHJPXRFL-SJORKVTESA-N 0 3 298.430 2.770 20 30 CFEDHN CC[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419288157 382271827 /nfs/dbraw/zinc/27/18/27/382271827.db2.gz HHFCAXDCGNTDFH-HOTGVXAUSA-N 0 3 285.391 2.643 20 30 CFEDHN Cc1ccc(N2CCN(C3CCC(C)CC3)CC2)nc1C#N ZINC000302597435 382274416 /nfs/dbraw/zinc/27/44/16/382274416.db2.gz BLFUJJOZBLWBDH-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN C=CCCN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352413528 382316839 /nfs/dbraw/zinc/31/68/39/382316839.db2.gz PRCSNKBTGKPJNN-INIZCTEOSA-N 0 3 277.364 2.639 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000345840393 382317124 /nfs/dbraw/zinc/31/71/24/382317124.db2.gz ITWLDBYPKXWPTJ-ZETCQYMHSA-N 0 3 274.217 2.620 20 30 CFEDHN CCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OCC ZINC000345841847 382317159 /nfs/dbraw/zinc/31/71/59/382317159.db2.gz KLXIRQRYUQTVHQ-NWDGAFQWSA-N 0 3 290.363 2.821 20 30 CFEDHN C=CCCN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352413529 382317207 /nfs/dbraw/zinc/31/72/07/382317207.db2.gz PRCSNKBTGKPJNN-MRXNPFEDSA-N 0 3 277.364 2.639 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000357788657 382321696 /nfs/dbraw/zinc/32/16/96/382321696.db2.gz CXKNVGZUYXMHNU-NSHDSACASA-N 0 3 299.305 2.789 20 30 CFEDHN CC(C#N)C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000357791202 382323675 /nfs/dbraw/zinc/32/36/75/382323675.db2.gz LCPVGCCYWIQXCI-MRVPVSSYSA-N 0 3 271.147 2.812 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCC2CC2)CC1 ZINC000345952167 382323836 /nfs/dbraw/zinc/32/38/36/382323836.db2.gz QNELTYXRPOFSGR-ZDUSSCGKSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@H](N(CC(=O)NCC#N)Cc1ccccc1)C(C)(C)C ZINC000346029228 382328265 /nfs/dbraw/zinc/32/82/65/382328265.db2.gz IMGXNYCFBGJFBK-AWEZNQCLSA-N 0 3 287.407 2.563 20 30 CFEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCC1 ZINC000346172739 382333293 /nfs/dbraw/zinc/33/32/93/382333293.db2.gz CARJTWOROCZRJB-BZUAXINKSA-N 0 3 290.451 2.922 20 30 CFEDHN N#CC1(F)CCN(CCCC2CCOCC2)CC1 ZINC000352449102 382338504 /nfs/dbraw/zinc/33/85/04/382338504.db2.gz KZIFQQZAKYIRLY-UHFFFAOYSA-N 0 3 254.349 2.521 20 30 CFEDHN CC(C)N1C[C@H](Nc2c(C#N)cccc2C#N)[C@@H](C)C1 ZINC000302869932 382339082 /nfs/dbraw/zinc/33/90/82/382339082.db2.gz BDHGBSAYGKCXMD-WFASDCNBSA-N 0 3 268.364 2.571 20 30 CFEDHN CN(Cc1cc(C#N)ccc1F)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364631905 382343274 /nfs/dbraw/zinc/34/32/74/382343274.db2.gz PWIYKMXVTMGKQO-NUEKZKHPSA-N 0 3 288.366 2.943 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1cnn(C(C)C)c1C ZINC000345284430 382294910 /nfs/dbraw/zinc/29/49/10/382294910.db2.gz QWLODAVQWNMTCQ-TZMCWYRMSA-N 0 3 265.401 2.608 20 30 CFEDHN CCc1nc(C)c([C@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000346417269 382353314 /nfs/dbraw/zinc/35/33/14/382353314.db2.gz UJXLIITXCNCJLK-WPRPVWTQSA-N 0 3 265.382 2.693 20 30 CFEDHN C=CCOCCNC/C=C\c1ccc(F)cc1F ZINC000680477017 542329361 /nfs/dbraw/zinc/32/93/61/542329361.db2.gz NZVUVGXNDFUEOR-ARJAWSKDSA-N 0 3 253.292 2.770 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(C)c(C)cc1OC(F)F ZINC000680483824 542330528 /nfs/dbraw/zinc/33/05/28/542330528.db2.gz BNVYLNMOFFGQII-CYBMUJFWSA-N 0 3 285.334 2.931 20 30 CFEDHN C=C(CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000294124217 382425048 /nfs/dbraw/zinc/42/50/48/382425048.db2.gz GMZWHVZLKKZMKF-JKSUJKDBSA-N 0 3 293.432 2.645 20 30 CFEDHN CCN1CCN(Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000352662633 382439395 /nfs/dbraw/zinc/43/93/95/382439395.db2.gz ZZXSUKQRVXRSAA-LBPRGKRZSA-N 0 3 277.799 2.738 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cccc(-c2ccoc2)c1 ZINC000294093130 382412826 /nfs/dbraw/zinc/41/28/26/382412826.db2.gz XRYPUSJGWFANCI-UHFFFAOYSA-N 0 3 296.370 2.632 20 30 CFEDHN CCC1(CC)CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346558138 382413339 /nfs/dbraw/zinc/41/33/39/382413339.db2.gz DZBVRZBCHBEWHO-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000365915919 382457759 /nfs/dbraw/zinc/45/77/59/382457759.db2.gz QMAVQLVHOWGGSP-MRXNPFEDSA-N 0 3 295.361 2.571 20 30 CFEDHN CCC(C)(C)OCCNCc1ccc(C#N)s1 ZINC000308548127 382478600 /nfs/dbraw/zinc/47/86/00/382478600.db2.gz QVWRRSZMIJBFNT-UHFFFAOYSA-N 0 3 252.383 2.915 20 30 CFEDHN C=CCOc1ccccc1CNCCC(C)(C)C(=O)OC ZINC000352912359 382482654 /nfs/dbraw/zinc/48/26/54/382482654.db2.gz CEXHDMMQCINCOK-UHFFFAOYSA-N 0 3 291.391 2.930 20 30 CFEDHN C[C@@H](C[C@@H]1CCCO1)NCc1ccc(C#N)cc1F ZINC000358175762 382487332 /nfs/dbraw/zinc/48/73/32/382487332.db2.gz MWGFJHCTRKIOMV-FZMZJTMJSA-N 0 3 262.328 2.745 20 30 CFEDHN N#CCc1ccc(CN2CC[C@H](COC(F)F)C2)cc1 ZINC000353026526 382489305 /nfs/dbraw/zinc/48/93/05/382489305.db2.gz WAANQIPFYABOGZ-AWEZNQCLSA-N 0 3 280.318 2.814 20 30 CFEDHN C=CCOc1ccc(CNCCc2cc(C)no2)cc1 ZINC000353063070 382490592 /nfs/dbraw/zinc/49/05/92/382490592.db2.gz KYFNOSMAHZISIR-UHFFFAOYSA-N 0 3 272.348 2.880 20 30 CFEDHN CN(CCCCc1ccccc1)CC(=O)NC1(C#N)CCC1 ZINC000346820424 382529253 /nfs/dbraw/zinc/52/92/53/382529253.db2.gz AJOGEWZRMCOUGB-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C=CCN(Cc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000420956325 382501256 /nfs/dbraw/zinc/50/12/56/382501256.db2.gz ZDNAYNXWAZVRFV-UHFFFAOYSA-N 0 3 286.419 2.669 20 30 CFEDHN C=C(C)CN1CCC(O)(Cc2ccc(C)cc2)CC1 ZINC000366383114 382501939 /nfs/dbraw/zinc/50/19/39/382501939.db2.gz YRWUBJPPVXSFON-UHFFFAOYSA-N 0 3 259.393 2.941 20 30 CFEDHN C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000421021544 382507226 /nfs/dbraw/zinc/50/72/26/382507226.db2.gz OLTPDCJERRJNAT-KBXIAJHMSA-N 0 3 292.423 2.978 20 30 CFEDHN COCCN(CC[C@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000188944677 382510194 /nfs/dbraw/zinc/51/01/94/382510194.db2.gz FFHKAYZXWRJIPS-QGZVFWFLSA-N 0 3 288.391 2.576 20 30 CFEDHN C=CCOc1ccc(CNCCOC(F)(F)F)cc1 ZINC000353209670 382528568 /nfs/dbraw/zinc/52/85/68/382528568.db2.gz NDWOIEYTTXRSOB-UHFFFAOYSA-N 0 3 275.270 2.877 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2cccc(C#N)c2)cc1 ZINC000188967163 382514056 /nfs/dbraw/zinc/51/40/56/382514056.db2.gz KRIZPWWXQQKBOB-SFHVURJKSA-N 0 3 280.371 2.560 20 30 CFEDHN COc1cc(CNCCOCC2CCCC2)ccc1C#N ZINC000313254547 382518723 /nfs/dbraw/zinc/51/87/23/382518723.db2.gz PIERRVGPZQREPM-UHFFFAOYSA-N 0 3 288.391 2.863 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000320604566 382538873 /nfs/dbraw/zinc/53/88/73/382538873.db2.gz DRJCVERFNXGVFM-QWHCGFSZSA-N 0 3 279.380 2.682 20 30 CFEDHN C#CC[C@H](NC[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000294910091 382543451 /nfs/dbraw/zinc/54/34/51/382543451.db2.gz FOELJXSWGPCCHF-MOPGFXCFSA-N 0 3 279.383 2.944 20 30 CFEDHN Cc1cc(C(F)(F)F)ccc1CNC(=O)C(C)C#N ZINC000346851309 382544391 /nfs/dbraw/zinc/54/43/91/382544391.db2.gz VVHZMNXJFVFOQC-VIFPVBQESA-N 0 3 270.254 2.790 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1OC ZINC000189123375 382549507 /nfs/dbraw/zinc/54/95/07/382549507.db2.gz OOTWLQTXDIFYLS-QWHCGFSZSA-N 0 3 279.380 2.773 20 30 CFEDHN C=CCNC(=O)CN[C@@H](Cc1ccccc1Cl)C1CC1 ZINC000294955559 382549531 /nfs/dbraw/zinc/54/95/31/382549531.db2.gz YQWFKTONDHBZTE-HNNXBMFYSA-N 0 3 292.810 2.553 20 30 CFEDHN C=CCCCN1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366773486 382549755 /nfs/dbraw/zinc/54/97/55/382549755.db2.gz UVFJWNDLGRNKIC-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN C[C@@H]1CCCN(CCNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328649179 382560129 /nfs/dbraw/zinc/56/01/29/382560129.db2.gz IPNSFHDCEJMNOO-ZIAGYGMSSA-N 0 3 295.427 2.964 20 30 CFEDHN N#CC(C(=O)c1ccc(OCC2CC2)cc1)c1ccncn1 ZINC000680617790 542343134 /nfs/dbraw/zinc/34/31/34/542343134.db2.gz FHHWOODDUSETOE-OAHLLOKOSA-N 0 3 293.326 2.755 20 30 CFEDHN C[C@@H](N(C)CC#Cc1ccc(Cl)cc1)C(C)(C)O ZINC000295047280 382565131 /nfs/dbraw/zinc/56/51/31/382565131.db2.gz AUJNJBXGWRPIJV-GFCCVEGCSA-N 0 3 265.784 2.783 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(OCc2nccn2C)cc1 ZINC000346827214 382532121 /nfs/dbraw/zinc/53/21/21/382532121.db2.gz IONJDYHRJBGINV-CQSZACIVSA-N 0 3 298.390 2.953 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000189068619 382535329 /nfs/dbraw/zinc/53/53/29/382535329.db2.gz ZQUAKBNNNAYLTI-WMLDXEAASA-N 0 3 286.419 2.945 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(C)n1-c1ccccc1 ZINC000320184208 382536112 /nfs/dbraw/zinc/53/61/12/382536112.db2.gz AAWWFOFBNXCBLN-HNNXBMFYSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@H](Cc2ccccc2)C1 ZINC000358362324 382588056 /nfs/dbraw/zinc/58/80/56/382588056.db2.gz BZTLTAQPAYBXBW-DOTOQJQBSA-N 0 3 286.419 2.632 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000189342671 382595503 /nfs/dbraw/zinc/59/55/03/382595503.db2.gz QTZVAZAUQYBCCM-HOCLYGCPSA-N 0 3 295.390 2.623 20 30 CFEDHN C[C@H]1CCCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000358403419 382602053 /nfs/dbraw/zinc/60/20/53/382602053.db2.gz VSPNSJZHTRAVIB-HNNXBMFYSA-N 0 3 291.439 2.936 20 30 CFEDHN CCn1cc([C@H](C)NCCCOc2cccc(C#N)c2)cn1 ZINC000295267226 382603502 /nfs/dbraw/zinc/60/35/02/382603502.db2.gz AOIWHFNVKCDXAX-AWEZNQCLSA-N 0 3 298.390 2.894 20 30 CFEDHN CO[C@H]([C@@H](C)NCc1cc(C#N)cs1)C1CC1 ZINC000388259225 382604293 /nfs/dbraw/zinc/60/42/93/382604293.db2.gz CKDZUVMPRLUVAT-NOZJJQNGSA-N 0 3 250.367 2.523 20 30 CFEDHN Cc1nc(N[C@@H]2CCN(C)[C@@H](C)C2)c(Cl)cc1C#N ZINC000388657509 382608132 /nfs/dbraw/zinc/60/81/32/382608132.db2.gz AUFFGKSFLKUHDO-JOYOIKCWSA-N 0 3 278.787 2.810 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCC(C)(C)C2)CC1 ZINC000353726603 382618839 /nfs/dbraw/zinc/61/88/39/382618839.db2.gz VGUAPOACSKAUHF-HNNXBMFYSA-N 0 3 293.455 2.857 20 30 CFEDHN Cn1cc(CNCc2cccc3cccnc32)cc1C#N ZINC000189596755 382628702 /nfs/dbraw/zinc/62/87/02/382628702.db2.gz FRZCTHFICGPWOA-UHFFFAOYSA-N 0 3 276.343 2.735 20 30 CFEDHN Cn1cc(CNCc2ccc3c(c2)CCCN3C)cc1C#N ZINC000190907897 382684619 /nfs/dbraw/zinc/68/46/19/382684619.db2.gz QHCPNKVONNGKEE-UHFFFAOYSA-N 0 3 294.402 2.569 20 30 CFEDHN COc1ccccc1C[C@H](C)N(C)Cc1cc(C#N)n(C)c1 ZINC000191326163 382698532 /nfs/dbraw/zinc/69/85/32/382698532.db2.gz AVPYTFITCGHHBR-AWEZNQCLSA-N 0 3 297.402 2.968 20 30 CFEDHN CN1CCN(CC#Cc2ccccc2)C2(CCCCC2)C1 ZINC000192059216 382704556 /nfs/dbraw/zinc/70/45/56/382704556.db2.gz FFGMTLNMWZTDQL-UHFFFAOYSA-N 0 3 282.431 2.988 20 30 CFEDHN C[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1n1ccnc1 ZINC000192119200 382704878 /nfs/dbraw/zinc/70/48/78/382704878.db2.gz ITWXGVFCVZMEHG-AEFFLSMTSA-N 0 3 279.387 2.818 20 30 CFEDHN C#CCCCC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000192312219 382707051 /nfs/dbraw/zinc/70/70/51/382707051.db2.gz DSDHULUFAPECJW-UHFFFAOYSA-N 0 3 298.430 2.913 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H]1CCCc2c(O)cccc21 ZINC000192365714 382707740 /nfs/dbraw/zinc/70/77/40/382707740.db2.gz SFHDLMNROBXDIE-IUODEOHRSA-N 0 3 261.365 2.686 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192365723 382707755 /nfs/dbraw/zinc/70/77/55/382707755.db2.gz SFHDLMNROBXDIE-DOMZBBRYSA-N 0 3 261.365 2.686 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)C2CCN(C3CC3)CC2)c1 ZINC000192450004 382709042 /nfs/dbraw/zinc/70/90/42/382709042.db2.gz KXBOIUPPSGGWDQ-UHFFFAOYSA-N 0 3 282.387 2.505 20 30 CFEDHN N#Cc1cc(F)ccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000192687134 382711194 /nfs/dbraw/zinc/71/11/94/382711194.db2.gz AVSVLRKLQTVKMF-UHFFFAOYSA-N 0 3 287.338 2.510 20 30 CFEDHN CN(CCO[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000193040604 382714842 /nfs/dbraw/zinc/71/48/42/382714842.db2.gz HSAPJTIIVYZPFQ-MRXNPFEDSA-N 0 3 274.364 2.533 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1 ZINC000193354346 382719068 /nfs/dbraw/zinc/71/90/68/382719068.db2.gz UOLZJDYAIFGXFH-BYCMXARLSA-N 0 3 272.348 2.551 20 30 CFEDHN C=CCN(CCCc1cccc(F)c1)CCOC ZINC000191114424 382691504 /nfs/dbraw/zinc/69/15/04/382691504.db2.gz ATCKLEKICOINHS-UHFFFAOYSA-N 0 3 251.345 2.893 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccs2)C1=O ZINC000337124875 382763572 /nfs/dbraw/zinc/76/35/72/382763572.db2.gz DHBXNOMOOOUJBY-CHWSQXEVSA-N 0 3 276.405 2.672 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@H](C)CCc2ccccc2)C1=O ZINC000337126462 382764159 /nfs/dbraw/zinc/76/41/59/382764159.db2.gz FZZNCOQIKQSSRS-NVXWUHKLSA-N 0 3 286.419 2.726 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H](C(C)C)CC2)C1=O ZINC000337186337 382773162 /nfs/dbraw/zinc/77/31/62/382773162.db2.gz OXUPHIIXNHGSGG-GJZGRUSLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@@H](NC2(c3ccccc3)CCCC2)C1=O ZINC000337192775 382773999 /nfs/dbraw/zinc/77/39/99/382773999.db2.gz UXNFEFZMXRIODZ-MRXNPFEDSA-N 0 3 284.403 2.832 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)C1=O ZINC000337254152 382786964 /nfs/dbraw/zinc/78/69/64/382786964.db2.gz SIECSAWHMHEASI-NJAFHUGGSA-N 0 3 298.430 2.960 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000337270925 382790760 /nfs/dbraw/zinc/79/07/60/382790760.db2.gz BILNPDFNSWTCAO-QWHCGFSZSA-N 0 3 284.281 2.947 20 30 CFEDHN C=CC[C@H](CC)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000337055155 382756331 /nfs/dbraw/zinc/75/63/31/382756331.db2.gz AWMDRPLIFAOESI-KGLIPLIRSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCN(CC=C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000337354849 382808679 /nfs/dbraw/zinc/80/86/79/382808679.db2.gz DKCDSWPXWPJVIM-LSDHHAIUSA-N 0 3 279.428 2.633 20 30 CFEDHN N#Cc1ccc2ncc(CNCC3=CCCCC3)n2c1 ZINC000577184547 382850657 /nfs/dbraw/zinc/85/06/57/382850657.db2.gz SSFUWDBILKMXEC-UHFFFAOYSA-N 0 3 266.348 2.796 20 30 CFEDHN N#Cc1ccc(CNCC[C@H]2CCCCO2)c(F)c1 ZINC000227336328 382835512 /nfs/dbraw/zinc/83/55/12/382835512.db2.gz UPNXMHXVXYMUQO-CQSZACIVSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCCc1ccccc1NC(=O)NC[C@@H](C)N(C)C ZINC000337587885 382845478 /nfs/dbraw/zinc/84/54/78/382845478.db2.gz GAMCXVVGLHCRSQ-CYBMUJFWSA-N 0 3 275.396 2.877 20 30 CFEDHN C[C@H]1CN(CCCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493908077 382906962 /nfs/dbraw/zinc/90/69/62/382906962.db2.gz MHQHMJABAIQJPY-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN COCc1cnc(CNCC2CCC(C#N)CC2)s1 ZINC000441345261 382908848 /nfs/dbraw/zinc/90/88/48/382908848.db2.gz FYKUWWRPXDBESV-UHFFFAOYSA-N 0 3 279.409 2.709 20 30 CFEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H](C)C1 ZINC000337697586 382856676 /nfs/dbraw/zinc/85/66/76/382856676.db2.gz UNHCVMZEWGGNQN-GYMHETDLSA-N 0 3 291.439 2.648 20 30 CFEDHN COc1cc(CN[C@@H](CO)CC2CCCC2)ccc1C#N ZINC000337790221 382865283 /nfs/dbraw/zinc/86/52/83/382865283.db2.gz CRIFHEHQRSOSMX-MRXNPFEDSA-N 0 3 288.391 2.598 20 30 CFEDHN C=CCSCCNCc1ccc(C#N)c(OC)c1 ZINC000231944512 382867904 /nfs/dbraw/zinc/86/79/04/382867904.db2.gz GPAOUAKLDIEBRQ-UHFFFAOYSA-N 0 3 262.378 2.576 20 30 CFEDHN CC1CCN(CCNc2nc(Cl)c(C#N)s2)CC1 ZINC000232833329 382870007 /nfs/dbraw/zinc/87/00/07/382870007.db2.gz FOSNPAYMOAOIJG-UHFFFAOYSA-N 0 3 284.816 2.812 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCC2)c(F)c1 ZINC000337836452 382870483 /nfs/dbraw/zinc/87/04/83/382870483.db2.gz XTBVIEADIOVGLP-HNNXBMFYSA-N 0 3 276.355 2.728 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000577818893 382871476 /nfs/dbraw/zinc/87/14/76/382871476.db2.gz WBRLTCIHXAJFRZ-PBHICJAKSA-N 0 3 297.402 2.591 20 30 CFEDHN COc1cc(CNCc2ccccc2)ccc1C#N ZINC000234928196 382875744 /nfs/dbraw/zinc/87/57/44/382875744.db2.gz PDJNYBQTLABTHE-UHFFFAOYSA-N 0 3 252.317 2.857 20 30 CFEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CCC(C)(C)C#N ZINC000494297895 382910827 /nfs/dbraw/zinc/91/08/27/382910827.db2.gz GNJKLOOKXYNNBS-GFCCVEGCSA-N 0 3 283.416 2.771 20 30 CFEDHN C[C@@H](N(C)CC(=O)NCc1cccc(C#N)c1)C(C)(C)C ZINC000533249819 382888722 /nfs/dbraw/zinc/88/87/22/382888722.db2.gz ZISZXJWGDALDQW-CYBMUJFWSA-N 0 3 287.407 2.541 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493775736 382902722 /nfs/dbraw/zinc/90/27/22/382902722.db2.gz AOUMLJRKSLMXQD-QWHCGFSZSA-N 0 3 268.401 2.798 20 30 CFEDHN CC(C)[C@@H](Cn1cccn1)NCc1ccc(C#N)s1 ZINC000421895069 382963860 /nfs/dbraw/zinc/96/38/60/382963860.db2.gz YJKHTJIRNFLYHO-CQSZACIVSA-N 0 3 274.393 2.631 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000442670997 382943428 /nfs/dbraw/zinc/94/34/28/382943428.db2.gz JZHYXKUGCGQTRH-SQWLQELKSA-N 0 3 296.480 2.627 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000494954827 382946036 /nfs/dbraw/zinc/94/60/36/382946036.db2.gz HJOKHRNYLGIGBI-CYBMUJFWSA-N 0 3 285.391 2.733 20 30 CFEDHN C=CCCN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000494995020 382952126 /nfs/dbraw/zinc/95/21/26/382952126.db2.gz XYBRGTNBVYRZMP-KGLIPLIRSA-N 0 3 298.427 2.567 20 30 CFEDHN COCCOc1cc(C)ccc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442770269 382953004 /nfs/dbraw/zinc/95/30/04/382953004.db2.gz RKXNJPISFDDTNS-GDBMZVCRSA-N 0 3 288.391 2.802 20 30 CFEDHN C=CCOc1ccc(CN2CCC(CCO)CC2)cc1 ZINC000535782072 382955118 /nfs/dbraw/zinc/95/51/18/382955118.db2.gz VVWINSRAVGBHRE-UHFFFAOYSA-N 0 3 275.392 2.846 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000442799771 382958078 /nfs/dbraw/zinc/95/80/78/382958078.db2.gz LBLOCINWTAAPHV-DZGCQCFKSA-N 0 3 252.402 2.578 20 30 CFEDHN CCCCn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000442829299 382960369 /nfs/dbraw/zinc/96/03/69/382960369.db2.gz ORYHCBLJJYJFRC-DZGCQCFKSA-N 0 3 260.385 2.774 20 30 CFEDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CCCC#N)C1 ZINC000494455770 382913732 /nfs/dbraw/zinc/91/37/32/382913732.db2.gz SODGFHVKFYAYCJ-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN Cc1ccc([C@H](Cn2ccnc2)NC(=O)C(C)C#N)c(C)c1 ZINC000442184470 382931682 /nfs/dbraw/zinc/93/16/82/382931682.db2.gz BXFKDADCVXVEPY-ZBFHGGJFSA-N 0 3 296.374 2.517 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000543748335 382972552 /nfs/dbraw/zinc/97/25/52/382972552.db2.gz GVAQVCKTCLWIRO-GDBMZVCRSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCCC[C@@H](C)N1CCCN(C(=O)C2CC2)CC1 ZINC000444685137 382976517 /nfs/dbraw/zinc/97/65/17/382976517.db2.gz NOTYIKSOXGBGME-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN Cn1cc(C(C)(C)NCc2ccc(CC#N)cc2)cn1 ZINC000545292197 382976963 /nfs/dbraw/zinc/97/69/63/382976963.db2.gz BISCAXCWLAQNGI-UHFFFAOYSA-N 0 3 268.364 2.511 20 30 CFEDHN N#CC(C(=O)c1ccccc1OCC1CC1)c1ccncn1 ZINC000545447351 382977896 /nfs/dbraw/zinc/97/78/96/382977896.db2.gz WXIIQSXQOVXXPL-CQSZACIVSA-N 0 3 293.326 2.755 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000444754551 382979693 /nfs/dbraw/zinc/97/96/93/382979693.db2.gz TWXOLPRLPQEAPA-INMHGKMJSA-N 0 3 293.455 2.797 20 30 CFEDHN CCC[C@]1(CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000444768612 382981314 /nfs/dbraw/zinc/98/13/14/382981314.db2.gz FHLIKXRZZYWTBZ-QGZVFWFLSA-N 0 3 275.367 2.804 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@]1(CCC)C(=O)OCC ZINC000444780113 382981361 /nfs/dbraw/zinc/98/13/61/382981361.db2.gz MMGARBOIMFNXQX-ZBFHGGJFSA-N 0 3 283.412 2.511 20 30 CFEDHN COC(=O)CC1(NCc2cccc(C#N)c2F)CCCC1 ZINC000338330364 382992855 /nfs/dbraw/zinc/99/28/55/382992855.db2.gz CKOQHSBRLPNABY-UHFFFAOYSA-N 0 3 290.338 2.663 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@@H]1CCN(C2CC2)C1 ZINC000447043746 382994125 /nfs/dbraw/zinc/99/41/25/382994125.db2.gz DJIARAIWIGJWOJ-QGZVFWFLSA-N 0 3 288.822 2.860 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@]1(C)CCN(CCCC#N)C1 ZINC000495715939 383017678 /nfs/dbraw/zinc/01/76/78/383017678.db2.gz IZGFSFBPTKYKST-HNNXBMFYSA-N 0 3 281.400 2.527 20 30 CFEDHN C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000495608042 383001665 /nfs/dbraw/zinc/00/16/65/383001665.db2.gz ZYNJGHFGKUJXOI-LLVKDONJSA-N 0 3 293.367 2.544 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245463453 383001779 /nfs/dbraw/zinc/00/17/79/383001779.db2.gz XJPNPPVXWBNGCP-YSVLISHTSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000495728900 383017998 /nfs/dbraw/zinc/01/79/98/383017998.db2.gz NBFRBDJTLXLCQU-SYQHCUMBSA-N 0 3 293.411 2.524 20 30 CFEDHN CCC(CC)(CCO)NCc1cccc(C#N)c1F ZINC000338384337 383014166 /nfs/dbraw/zinc/01/41/66/383014166.db2.gz UEIPOAHHBAZHMI-UHFFFAOYSA-N 0 3 264.344 2.728 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CC)C1 ZINC000338407037 383015822 /nfs/dbraw/zinc/01/58/22/383015822.db2.gz GCGIHQGDWXDYFZ-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CC#Cc1ccc(F)cc1 ZINC000443315106 382966551 /nfs/dbraw/zinc/96/65/51/382966551.db2.gz BZRDXPWZORRQOI-CPUCHLNUSA-N 0 3 275.367 2.659 20 30 CFEDHN N#CCCCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541950563 382968018 /nfs/dbraw/zinc/96/80/18/382968018.db2.gz JRGCCEZAHQWOQV-LBPRGKRZSA-N 0 3 272.270 2.632 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)Cc2ccc(C#N)s2)C1 ZINC000579608557 383036387 /nfs/dbraw/zinc/03/63/87/383036387.db2.gz WJRYPNHPKOFYLZ-FZMZJTMJSA-N 0 3 264.394 2.603 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC[C@@H](C)[C@H](C)C1 ZINC000245848992 383039420 /nfs/dbraw/zinc/03/94/20/383039420.db2.gz CNWYNFOUQXBLTO-ZIAGYGMSSA-N 0 3 288.391 2.924 20 30 CFEDHN C[C@@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000245968462 383054634 /nfs/dbraw/zinc/05/46/34/383054634.db2.gz VYMUALCTMGBZLO-KEYYUXOJSA-N 0 3 297.402 2.641 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000246045327 383060244 /nfs/dbraw/zinc/06/02/44/383060244.db2.gz SPRXYNKSLZQLHS-GJZGRUSLSA-N 0 3 289.375 2.879 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000246092777 383061792 /nfs/dbraw/zinc/06/17/92/383061792.db2.gz KLVHBAYYAVICEP-DZGCQCFKSA-N 0 3 264.413 2.553 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000246132167 383063663 /nfs/dbraw/zinc/06/36/63/383063663.db2.gz VFPFVPWKQYLMCB-HUUCEWRRSA-N 0 3 278.440 2.991 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000246316204 383072294 /nfs/dbraw/zinc/07/22/94/383072294.db2.gz CVAQCLXUFXTNQP-BFYDXBDKSA-N 0 3 299.418 2.625 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CC)C1 ZINC000246321546 383072333 /nfs/dbraw/zinc/07/23/33/383072333.db2.gz XAMHZBQTFZGIMV-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CCN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000579988297 383073700 /nfs/dbraw/zinc/07/37/00/383073700.db2.gz QBCZGTWJUODFEI-LLVKDONJSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000338542164 383020171 /nfs/dbraw/zinc/02/01/71/383020171.db2.gz LKWLSGXBUXVCAI-ZFWWWQNUSA-N 0 3 296.773 2.917 20 30 CFEDHN CCN(C)C(=O)OC[C@H]1CCCCN1CCC(C)(C)C#N ZINC000495770697 383024228 /nfs/dbraw/zinc/02/42/28/383024228.db2.gz PAMKSEDRLVGILB-CQSZACIVSA-N 0 3 295.427 2.869 20 30 CFEDHN CC[C@H](C#N)NC(=O)c1ccc(CN(CC)C2CC2)cc1 ZINC000338668390 383027716 /nfs/dbraw/zinc/02/77/16/383027716.db2.gz UABBXQDHBXTURM-OAHLLOKOSA-N 0 3 285.391 2.703 20 30 CFEDHN Cc1cn[nH]c1CNCc1ccc(C#N)c(Cl)c1 ZINC000589319780 383119870 /nfs/dbraw/zinc/11/98/70/383119870.db2.gz ILSZKHIAERYKJW-UHFFFAOYSA-N 0 3 260.728 2.533 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000497026575 383129122 /nfs/dbraw/zinc/12/91/22/383129122.db2.gz PFIRQDQVDSFRDU-KBPBESRZSA-N 0 3 295.427 2.867 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CC(=C)C)C(C)C ZINC000498142702 383134227 /nfs/dbraw/zinc/13/42/27/383134227.db2.gz UGJQEUUKGUHFLQ-INIZCTEOSA-N 0 3 293.455 2.903 20 30 CFEDHN Cn1cc([C@@H]2CN(CCC(C)(C)C#N)CC2(C)C)cn1 ZINC000581019925 383083267 /nfs/dbraw/zinc/08/32/67/383083267.db2.gz DEWKOWBIFJAQJW-AWEZNQCLSA-N 0 3 274.412 2.785 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000582392009 383086745 /nfs/dbraw/zinc/08/67/45/383086745.db2.gz HPMCUGQVIBOICQ-PWSUYJOCSA-N 0 3 288.351 2.550 20 30 CFEDHN CC1(NC(=O)C(C#N)CCc2ccccc2)CCC1 ZINC000583602159 383090357 /nfs/dbraw/zinc/09/03/57/383090357.db2.gz UEXDCLIHLDRKMI-CQSZACIVSA-N 0 3 256.349 2.818 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496343890 383090420 /nfs/dbraw/zinc/09/04/20/383090420.db2.gz MHNQCLZCCKFWAC-XJKSGUPXSA-N 0 3 295.427 2.915 20 30 CFEDHN CC(C)C[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000246686790 383093981 /nfs/dbraw/zinc/09/39/81/383093981.db2.gz YDGZABQFFMWYNM-NVXWUHKLSA-N 0 3 293.455 2.941 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000496386498 383095002 /nfs/dbraw/zinc/09/50/02/383095002.db2.gz LWNLRPOZTJUTLS-BFHYXJOUSA-N 0 3 293.411 2.620 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C)CCC[C@H]1C ZINC000246709267 383096169 /nfs/dbraw/zinc/09/61/69/383096169.db2.gz LCRVEZFOZNRSIO-RRFJBIMHSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCOCCN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000338952233 383097337 /nfs/dbraw/zinc/09/73/37/383097337.db2.gz DKJDBGSUXFUGPF-UHFFFAOYSA-N 0 3 263.381 2.946 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000246806777 383106581 /nfs/dbraw/zinc/10/65/81/383106581.db2.gz BGFHTQMUEGAEAC-LSDHHAIUSA-N 0 3 293.455 2.895 20 30 CFEDHN CN(CCCN(C)c1ccncc1C#N)Cc1ccco1 ZINC000553365785 383107291 /nfs/dbraw/zinc/10/72/91/383107291.db2.gz FNJHYAHPCLMJMC-UHFFFAOYSA-N 0 3 284.363 2.505 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000448919358 383107339 /nfs/dbraw/zinc/10/73/39/383107339.db2.gz ACPPUUDRGTVLHB-ZBFHGGJFSA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@H](CCC#N)N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496546138 383115025 /nfs/dbraw/zinc/11/50/25/383115025.db2.gz BRFYYDCXBUUESF-JHJVBQTASA-N 0 3 281.400 2.524 20 30 CFEDHN Cc1nsc(NC2CCN(CC(C)C)CC2)c1C#N ZINC000585702622 383117733 /nfs/dbraw/zinc/11/77/33/383117733.db2.gz ZTJZSWJQMJKVGZ-UHFFFAOYSA-N 0 3 278.425 2.856 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@H](C)NCCC)c1 ZINC000449104959 383177489 /nfs/dbraw/zinc/17/74/89/383177489.db2.gz XGTGQINJEKFXEB-LBPRGKRZSA-N 0 3 262.353 2.578 20 30 CFEDHN CCOC(=O)C(C)(C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339188759 383182619 /nfs/dbraw/zinc/18/26/19/383182619.db2.gz LGWLQGKKOPWKJJ-UKRRQHHQSA-N 0 3 292.423 2.980 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)C1 ZINC000339200854 383183255 /nfs/dbraw/zinc/18/32/55/383183255.db2.gz JJOABUAZZJJCKA-BARDWOONSA-N 0 3 260.381 2.712 20 30 CFEDHN CC#CCCNCc1cn(C)nc1-c1ccc(F)cc1 ZINC000449227464 383185035 /nfs/dbraw/zinc/18/50/35/383185035.db2.gz PMAVKUNVTBALEK-UHFFFAOYSA-N 0 3 271.339 2.729 20 30 CFEDHN CC#CCCNCc1ccc2c(c1)OCCCCO2 ZINC000449227648 383185116 /nfs/dbraw/zinc/18/51/16/383185116.db2.gz QBERHOHNQKRQCV-UHFFFAOYSA-N 0 3 259.349 2.741 20 30 CFEDHN C=C(C)CNCc1cn(C)nc1-c1ccc(F)cc1 ZINC000449269875 383192499 /nfs/dbraw/zinc/19/24/99/383192499.db2.gz OJLYUXJLVCMBAT-UHFFFAOYSA-N 0 3 259.328 2.892 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(-n2cccn2)c(F)c1 ZINC000339424200 383195852 /nfs/dbraw/zinc/19/58/52/383195852.db2.gz UNBVGGCRKCKGAH-LBPRGKRZSA-N 0 3 272.327 2.966 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1)c1cc[nH]c(=O)c1 ZINC000339458519 383204368 /nfs/dbraw/zinc/20/43/68/383204368.db2.gz SQRVSCVBOSOFIY-NSHDSACASA-N 0 3 253.305 2.510 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000619755246 383147617 /nfs/dbraw/zinc/14/76/17/383147617.db2.gz DPINXODFIORJOY-ZWNOBZJWSA-N 0 3 259.740 2.994 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508895386 383147667 /nfs/dbraw/zinc/14/76/67/383147667.db2.gz HGUDMWBNRJYVHY-GDBMZVCRSA-N 0 3 289.423 2.895 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000514940312 383156726 /nfs/dbraw/zinc/15/67/26/383156726.db2.gz OHIVXYQXDAGVML-DLBZAZTESA-N 0 3 290.451 2.969 20 30 CFEDHN Cc1ccn(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000339138880 383162333 /nfs/dbraw/zinc/16/23/33/383162333.db2.gz ZWLATCWGLKJDPA-UKRRQHHQSA-N 0 3 258.369 2.521 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)Cc1ccc(F)cc1 ZINC000339135895 383162912 /nfs/dbraw/zinc/16/29/12/383162912.db2.gz WQYVCAAKQSMLHZ-JKSUJKDBSA-N 0 3 263.356 2.770 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC000339155726 383169745 /nfs/dbraw/zinc/16/97/45/383169745.db2.gz QPIYODJKYQBTMU-MWQQHZPXSA-N 0 3 298.386 2.567 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](CC2CC2)C1 ZINC000339673066 383281200 /nfs/dbraw/zinc/28/12/00/383281200.db2.gz DYAITMXDGPOESD-GOEBONIOSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](CC2CC2)C1 ZINC000339673068 383281387 /nfs/dbraw/zinc/28/13/87/383281387.db2.gz DYAITMXDGPOESD-ZBFHGGJFSA-N 0 3 276.424 2.698 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC[C@H]1CC12CC2 ZINC000567453217 383276440 /nfs/dbraw/zinc/27/64/40/383276440.db2.gz WMWCNXMGZYEVNQ-LSDHHAIUSA-N 0 3 268.360 2.675 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000424643931 383219815 /nfs/dbraw/zinc/21/98/15/383219815.db2.gz GQHSQCDKAGDSEO-HIFRSBDPSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)C[C@@H]1F)C(C)C ZINC000424659690 383223523 /nfs/dbraw/zinc/22/35/23/383223523.db2.gz SIMNIPPGTGZATK-YCPHGPKFSA-N 0 3 282.403 2.549 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000424700720 383235504 /nfs/dbraw/zinc/23/55/04/383235504.db2.gz DCOSJRVAYPOJTD-GJZGRUSLSA-N 0 3 296.455 2.594 20 30 CFEDHN C[C@H](CCCc1cccnc1)NCc1ccc(C#N)cn1 ZINC000567074479 383238615 /nfs/dbraw/zinc/23/86/15/383238615.db2.gz QWRXTNJTHCFMMT-CQSZACIVSA-N 0 3 280.375 2.849 20 30 CFEDHN N#CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000519841807 383241639 /nfs/dbraw/zinc/24/16/39/383241639.db2.gz NTYSXULPVKVRFL-UHFFFAOYSA-N 0 3 296.374 2.504 20 30 CFEDHN CC(C)(C)[C@H]1CCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000567111530 383242459 /nfs/dbraw/zinc/24/24/59/383242459.db2.gz FZIVFBQAJOHSQU-CQSZACIVSA-N 0 3 283.379 2.611 20 30 CFEDHN CCN(CC)CCSc1c(C#N)cccc1[N+](=O)[O-] ZINC000425225894 383343008 /nfs/dbraw/zinc/34/30/08/383343008.db2.gz GQFXNUHHRKDNFH-UHFFFAOYSA-N 0 3 279.365 2.900 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000248752893 383288914 /nfs/dbraw/zinc/28/89/14/383288914.db2.gz HKIWKXODXMLNJF-IIAWOOMASA-N 0 3 279.428 2.551 20 30 CFEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCCC(C)(C)C#N ZINC000248819324 383292896 /nfs/dbraw/zinc/29/28/96/383292896.db2.gz IXNXKSYGVHBMKY-MCIONIFRSA-N 0 3 278.396 2.590 20 30 CFEDHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCCC(C)(C)C#N ZINC000248819321 383292904 /nfs/dbraw/zinc/29/29/04/383292904.db2.gz IXNXKSYGVHBMKY-IHRRRGAJSA-N 0 3 278.396 2.590 20 30 CFEDHN C[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1n1ccnc1 ZINC000248832959 383295682 /nfs/dbraw/zinc/29/56/82/383295682.db2.gz ITWXGVFCVZMEHG-FUHWJXTLSA-N 0 3 279.387 2.818 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000248836368 383296271 /nfs/dbraw/zinc/29/62/71/383296271.db2.gz NBPMBAWSSLWXEO-ZOWXZIJZSA-N 0 3 286.379 2.910 20 30 CFEDHN C=CCCCCN1CCC[C@H]1C(=O)N(CC)CC ZINC000521784359 383308605 /nfs/dbraw/zinc/30/86/05/383308605.db2.gz SHBCXGYXQOCNDL-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)s1 ZINC000449468771 383311726 /nfs/dbraw/zinc/31/17/26/383311726.db2.gz LLASTJUKYHRRHX-KFWWJZLASA-N 0 3 276.405 2.745 20 30 CFEDHN C[C@@H](CNc1ncc2c(c1C#N)CCC2)N1CCCC[C@H]1C ZINC000568385077 383396436 /nfs/dbraw/zinc/39/64/36/383396436.db2.gz IPORFXSKGHDGIG-KGLIPLIRSA-N 0 3 298.434 2.539 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000525948602 383411135 /nfs/dbraw/zinc/41/11/35/383411135.db2.gz SGVNQOYQJLVSGB-MRXNPFEDSA-N 0 3 266.429 2.922 20 30 CFEDHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000467381817 383351899 /nfs/dbraw/zinc/35/18/99/383351899.db2.gz NKUDILFMFMSIPP-AXFHLTTASA-N 0 3 250.317 2.771 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc2ncccc2c1 ZINC000449521824 383353137 /nfs/dbraw/zinc/35/31/37/383353137.db2.gz SOXALDUTUBZTEE-CVEARBPZSA-N 0 3 254.333 2.668 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccco2)s1 ZINC000449519479 383353185 /nfs/dbraw/zinc/35/31/85/383353185.db2.gz MWJJTBAYROAEHJ-NEPJUHHUSA-N 0 3 276.361 2.836 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000449549542 383355639 /nfs/dbraw/zinc/35/56/39/383355639.db2.gz YWBOZSAOSFCLLB-OLZOCXBDSA-N 0 3 271.282 2.927 20 30 CFEDHN CO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000449630783 383359000 /nfs/dbraw/zinc/35/90/00/383359000.db2.gz JBNYTBZUEWFKGO-JKSUJKDBSA-N 0 3 270.376 2.948 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H]1C1CCCC1 ZINC000249757695 383360569 /nfs/dbraw/zinc/36/05/69/383360569.db2.gz KYYYGIJKAMNSLZ-DOTOQJQBSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(C2CCC2)s1 ZINC000449698130 383362032 /nfs/dbraw/zinc/36/20/32/383362032.db2.gz MVQJQGFULJMJAZ-LBPRGKRZSA-N 0 3 266.410 2.827 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1nnc(-c2ccccn2)[n-]1 ZINC000449713177 383362173 /nfs/dbraw/zinc/36/21/73/383362173.db2.gz WIRLHSFAWKNDFK-LBPRGKRZSA-N 0 3 271.368 2.701 20 30 CFEDHN Cn1cc([C@@H]2CN(CC#Cc3ccccc3)CC2(C)C)cn1 ZINC000568176055 383367531 /nfs/dbraw/zinc/36/75/31/383367531.db2.gz OUSASRODHIFHNV-SFHVURJKSA-N 0 3 293.414 2.897 20 30 CFEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)C[C@H]1C ZINC000252727739 383430235 /nfs/dbraw/zinc/43/02/35/383430235.db2.gz OPKFLJJDARTIRC-ZIAGYGMSSA-N 0 3 258.365 2.915 20 30 CFEDHN O[C@@H]1CCC[C@@H]1[C@H]1CCCN1CC#Cc1ccccc1 ZINC000253091253 383442495 /nfs/dbraw/zinc/44/24/95/383442495.db2.gz JJNLNOPTCMETGD-KZNAEPCWSA-N 0 3 269.388 2.664 20 30 CFEDHN CC(C)(C)[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000483259023 383443341 /nfs/dbraw/zinc/44/33/41/383443341.db2.gz ZGLZQBADFWGREO-RHSMWYFYSA-N 0 3 291.439 2.553 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCN2C2CCCCC2)n1 ZINC000527751263 383470937 /nfs/dbraw/zinc/47/09/37/383470937.db2.gz FWOOILGPFXPVPB-AWEZNQCLSA-N 0 3 290.436 2.511 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000450707948 383483418 /nfs/dbraw/zinc/48/34/18/383483418.db2.gz MGEJDUQRUJKLRC-GDBMZVCRSA-N 0 3 272.392 2.777 20 30 CFEDHN C[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429569574 383548702 /nfs/dbraw/zinc/54/87/02/383548702.db2.gz TZMWQZFKWSMXJR-IUODEOHRSA-N 0 3 271.364 2.617 20 30 CFEDHN C=CCC1(C(=O)N[C@@H](C)C2=CCN(C)CC2)CCCC1 ZINC000450767381 383486942 /nfs/dbraw/zinc/48/69/42/383486942.db2.gz UFGCEMJBFAPYMP-AWEZNQCLSA-N 0 3 276.424 2.890 20 30 CFEDHN Cc1nc(N2CCN(CC3CCCCC3)CC2)ccc1C#N ZINC000488090805 383495227 /nfs/dbraw/zinc/49/52/27/383495227.db2.gz AVSIZLAQWUCXGS-UHFFFAOYSA-N 0 3 298.434 2.964 20 30 CFEDHN CC(=O)N[C@@H](C)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000488105289 383496876 /nfs/dbraw/zinc/49/68/76/383496876.db2.gz KLGVJQHRIVCMBH-AWEZNQCLSA-N 0 3 299.418 2.603 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)Cc1ccsc1 ZINC000428862620 383500880 /nfs/dbraw/zinc/50/08/80/383500880.db2.gz NXYLODPTMFXHEJ-MNOVXSKESA-N 0 3 250.367 2.687 20 30 CFEDHN CC(C)[C@H]1CN([C@H](C)c2cccc(C#N)c2)CCN1C ZINC000488161616 383501299 /nfs/dbraw/zinc/50/12/99/383501299.db2.gz BJYBIULJFDVJSB-RHSMWYFYSA-N 0 3 271.408 2.891 20 30 CFEDHN CC[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569488606 383506028 /nfs/dbraw/zinc/50/60/28/383506028.db2.gz CUHYBRRFRMQCSL-CYBMUJFWSA-N 0 3 259.309 2.841 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429275626 383506598 /nfs/dbraw/zinc/50/65/98/383506598.db2.gz VDNDGIAGFXWGPC-YOEHRIQHSA-N 0 3 292.398 2.663 20 30 CFEDHN Cc1cc(CN[C@@]2(C)CCO[C@H]2C2CC2)ccc1C#N ZINC000488259517 383509306 /nfs/dbraw/zinc/50/93/06/383509306.db2.gz DUWYDOFZPHYHJK-IRXDYDNUSA-N 0 3 270.376 2.914 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1C ZINC000488349917 383525325 /nfs/dbraw/zinc/52/53/25/383525325.db2.gz ORFGANGIKVXSHT-CZUORRHYSA-N 0 3 258.365 2.663 20 30 CFEDHN N#Cc1ccc(CNCC2(CO)CC3(CCC3)C2)cc1 ZINC000570235726 383585716 /nfs/dbraw/zinc/58/57/16/383585716.db2.gz ZNAQRKPENRKMSC-UHFFFAOYSA-N 0 3 270.376 2.591 20 30 CFEDHN CC[C@]1(CO)CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000489024956 383592006 /nfs/dbraw/zinc/59/20/06/383592006.db2.gz FYOWETHJPQWFDO-KRWDZBQOSA-N 0 3 272.392 2.851 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)CN(C)CC(C)(C)C ZINC000635449249 383557768 /nfs/dbraw/zinc/55/77/68/383557768.db2.gz SLSSONLNCGTDTK-UHFFFAOYSA-N 0 3 280.334 2.541 20 30 CFEDHN C=CCCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000570016143 383560493 /nfs/dbraw/zinc/56/04/93/383560493.db2.gz FJZXAJPXBPGCJM-UHFFFAOYSA-N 0 3 251.292 2.732 20 30 CFEDHN C[C@H]1CC[C@@H](N(CCO)Cc2cc(C#N)ccc2F)C1 ZINC000429774211 383569190 /nfs/dbraw/zinc/56/91/90/383569190.db2.gz MNRTWMDLJBDILB-SWLSCSKDSA-N 0 3 276.355 2.680 20 30 CFEDHN CO[C@H]1CCN(CCOc2cccc(C#N)c2)CC1(C)C ZINC000451554843 383645451 /nfs/dbraw/zinc/64/54/51/383645451.db2.gz QINPYVYBQYOPOO-INIZCTEOSA-N 0 3 288.391 2.684 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000451585856 383652187 /nfs/dbraw/zinc/65/21/87/383652187.db2.gz FJTQVEFCNIDPIQ-NVXWUHKLSA-N 0 3 288.366 2.584 20 30 CFEDHN Cn1cc([C@@H]2CN(Cc3ccc(C#N)cc3)CC2(C)C)cn1 ZINC000570661068 383623354 /nfs/dbraw/zinc/62/33/54/383623354.db2.gz BAAIZOKKVABBHP-KRWDZBQOSA-N 0 3 294.402 2.917 20 30 CFEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(C)cn1 ZINC000489505040 383626052 /nfs/dbraw/zinc/62/60/52/383626052.db2.gz BJMUDJBMJFDYCQ-CQSZACIVSA-N 0 3 273.380 2.759 20 30 CFEDHN CN1CCN(CC#Cc2cccc(Cl)c2)CC1(C)C ZINC000570695580 383626360 /nfs/dbraw/zinc/62/63/60/383626360.db2.gz XXGDADZRQPNIJM-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN N#Cc1cc(F)ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451490997 383626525 /nfs/dbraw/zinc/62/65/25/383626525.db2.gz DURJUQXFGXBJRV-XHSDSOJGSA-N 0 3 286.350 2.745 20 30 CFEDHN CO[C@@]1(C)C[C@@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451501777 383630110 /nfs/dbraw/zinc/63/01/10/383630110.db2.gz ZAGNFRXLTGDITK-ZBFHGGJFSA-N 0 3 276.355 2.991 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cccc(C#N)c1F ZINC000528768533 383631326 /nfs/dbraw/zinc/63/13/26/383631326.db2.gz WGORBJSGUMBBNB-RSQPEXBXSA-N 0 3 262.328 2.599 20 30 CFEDHN CCO[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@H]1C ZINC000451521396 383633599 /nfs/dbraw/zinc/63/35/99/383633599.db2.gz DOTLRNKNJWVUFH-PBHICJAKSA-N 0 3 288.391 2.684 20 30 CFEDHN COc1cccc([C@@H]2CN(C(=O)C(C)C#N)CC2(C)C)c1 ZINC000529729444 383751339 /nfs/dbraw/zinc/75/13/39/383751339.db2.gz WAHNSXYLYKDBSK-DOMZBBRYSA-N 0 3 286.375 2.807 20 30 CFEDHN CC(C)NC(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000433023525 383752592 /nfs/dbraw/zinc/75/25/92/383752592.db2.gz QTMHVIPLIQRVHI-HNNXBMFYSA-N 0 3 273.380 2.536 20 30 CFEDHN CC[C@H](C)NC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433022904 383752616 /nfs/dbraw/zinc/75/26/16/383752616.db2.gz YCYHRFLXJHEUPT-GOEBONIOSA-N 0 3 287.407 2.926 20 30 CFEDHN N#CCCC[C@@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC000433013147 383752993 /nfs/dbraw/zinc/75/29/93/383752993.db2.gz NKONYVWVIJEWPI-QGZVFWFLSA-N 0 3 299.418 2.927 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2ccccc2)C1 ZINC000433048527 383753932 /nfs/dbraw/zinc/75/39/32/383753932.db2.gz NMNNDCMJZNPLDQ-ZBFHGGJFSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccc(CC)cc3)C2)C1=O ZINC000433083199 383754275 /nfs/dbraw/zinc/75/42/75/383754275.db2.gz OAWLYYYIQCSWME-MSOLQXFVSA-N 0 3 298.430 2.825 20 30 CFEDHN CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000572104958 383754808 /nfs/dbraw/zinc/75/48/08/383754808.db2.gz RIIAQGMTGHOZPM-KBPBESRZSA-N 0 3 291.439 2.695 20 30 CFEDHN C=C(C)CN(CCC1CCOCC1)Cc1ccc(CO)o1 ZINC000433191245 383756177 /nfs/dbraw/zinc/75/61/77/383756177.db2.gz ZZIKETFZXSDBJH-UHFFFAOYSA-N 0 3 293.407 2.967 20 30 CFEDHN Cc1cc(CN(C)C(=O)C(C#N)CCc2ccccc2)no1 ZINC000433220308 383756449 /nfs/dbraw/zinc/75/64/49/383756449.db2.gz PGXCMPIMXQUFNM-HNNXBMFYSA-N 0 3 297.358 2.714 20 30 CFEDHN Cc1cccnc1CNC(=O)C(C#N)CCc1ccccc1 ZINC000433360971 383762051 /nfs/dbraw/zinc/76/20/51/383762051.db2.gz LSMBEZBZVUWHJP-MRXNPFEDSA-N 0 3 293.370 2.779 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000529890290 383762399 /nfs/dbraw/zinc/76/23/99/383762399.db2.gz ZTCFHNYTEMBYOS-SECBINFHSA-N 0 3 282.265 2.750 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530021990 383763415 /nfs/dbraw/zinc/76/34/15/383763415.db2.gz GMRPWJUDQMAGKK-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H](O)CCOCC ZINC000434626010 383769312 /nfs/dbraw/zinc/76/93/12/383769312.db2.gz GQHNSXJPIDXKGU-CYBMUJFWSA-N 0 3 269.410 2.524 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000451603565 383665681 /nfs/dbraw/zinc/66/56/81/383665681.db2.gz XAJXWHBVPLYSST-HIFRSBDPSA-N 0 3 290.338 2.519 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCc2c1c(F)ccc2F ZINC000451607881 383666314 /nfs/dbraw/zinc/66/63/14/383666314.db2.gz LXXHZMBJXRGPOO-MCIONIFRSA-N 0 3 265.303 2.885 20 30 CFEDHN COc1cc(CN[C@@H]2C[C@@H](OC)C23CCC3)ccc1C#N ZINC000453264162 383822383 /nfs/dbraw/zinc/82/23/83/383822383.db2.gz ZPYOIKYLJRDGSG-HZPDHXFCSA-N 0 3 286.375 2.614 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](NCC2(C#N)CC2)C1 ZINC000572580417 383794861 /nfs/dbraw/zinc/79/48/61/383794861.db2.gz DMSHMRHZUZTGCR-GDBMZVCRSA-N 0 3 269.392 2.715 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453338695 383843902 /nfs/dbraw/zinc/84/39/02/383843902.db2.gz CJXOXACUFJKPGT-AAEUAGOBSA-N 0 3 262.328 2.675 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000453359865 383847153 /nfs/dbraw/zinc/84/71/53/383847153.db2.gz PMLQNJYOZISLJD-MAZHCROVSA-N 0 3 256.349 2.942 20 30 CFEDHN C=CCCCCN(CCN1CCOCC1)Cc1ccco1 ZINC000573060378 383863214 /nfs/dbraw/zinc/86/32/14/383863214.db2.gz XDUOFPHIPHNRQN-UHFFFAOYSA-N 0 3 292.423 2.770 20 30 CFEDHN COC(=O)C(C)(C)CCN[C@H](C)c1cccc(C#N)c1 ZINC000280993800 195061655 /nfs/dbraw/zinc/06/16/55/195061655.db2.gz VITHOSHGESONRH-GFCCVEGCSA-N 0 3 274.364 2.798 20 30 CFEDHN C[C@H]1CC2(CN1CC#Cc1ccccc1)CCOCC2 ZINC000646097217 383870629 /nfs/dbraw/zinc/87/06/29/383870629.db2.gz SNYSIPPOBBAIFF-INIZCTEOSA-N 0 3 269.388 2.929 20 30 CFEDHN CC[C@H](CNc1ncc(C#N)cc1Cl)N1CCCC1 ZINC000265102520 383832899 /nfs/dbraw/zinc/83/28/99/383832899.db2.gz FJFIZAXFTWHRSP-GFCCVEGCSA-N 0 3 278.787 2.893 20 30 CFEDHN N#CCCCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000265275177 383882434 /nfs/dbraw/zinc/88/24/34/383882434.db2.gz XYUYMOPRLICNTE-MRXNPFEDSA-N 0 3 258.365 2.662 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NC[C@H](O)c2ccccc2F)C1 ZINC000185793262 262071756 /nfs/dbraw/zinc/07/17/56/262071756.db2.gz YIYKARZOBQWKEN-ZOWXZIJZSA-N 0 3 262.328 2.531 20 30 CFEDHN CC[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000265334576 383897372 /nfs/dbraw/zinc/89/73/72/383897372.db2.gz NPGKDCNNMYJCIO-OAHLLOKOSA-N 0 3 299.418 2.687 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCc1cc(C#N)ccc1F ZINC000573566835 383951420 /nfs/dbraw/zinc/95/14/20/383951420.db2.gz FWQNGZSZHONLPT-NHYWBVRUSA-N 0 3 264.344 2.584 20 30 CFEDHN CC[C@H](C(=O)Nc1cccc(OCC#N)c1)N(CC)CC ZINC000265630369 383962919 /nfs/dbraw/zinc/96/29/19/383962919.db2.gz SJZKVNNNEQWRAE-OAHLLOKOSA-N 0 3 289.379 2.648 20 30 CFEDHN CN(C)C/C=C/C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000265677227 383974995 /nfs/dbraw/zinc/97/49/95/383974995.db2.gz VAYABQAUSUFJNW-AATRIKPKSA-N 0 3 271.364 2.544 20 30 CFEDHN C=C(C)COCCNCc1cnc(-c2ccccc2)nc1 ZINC000532395041 384024904 /nfs/dbraw/zinc/02/49/04/384024904.db2.gz XAUYCPMZNDTHGB-UHFFFAOYSA-N 0 3 283.375 2.826 20 30 CFEDHN CC(C)n1cc2ccc(NC(=O)[C@H](N)CCCC#N)cc2n1 ZINC000573918290 384011946 /nfs/dbraw/zinc/01/19/46/384011946.db2.gz XSWFUICWEQWISI-CQSZACIVSA-N 0 3 299.378 2.577 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000637321699 384028320 /nfs/dbraw/zinc/02/83/20/384028320.db2.gz JNWXHGMDGWCFAR-KBPBESRZSA-N 0 3 281.444 2.570 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000637323046 384030279 /nfs/dbraw/zinc/03/02/79/384030279.db2.gz GWHDGYAWUOJSHC-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000637323047 384030466 /nfs/dbraw/zinc/03/04/66/384030466.db2.gz GWHDGYAWUOJSHC-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)CCN1CCCCC1 ZINC000637324576 384031901 /nfs/dbraw/zinc/03/19/01/384031901.db2.gz WZKYKSBUAKLADY-UHFFFAOYSA-N 0 3 281.444 2.716 20 30 CFEDHN C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000266028533 384059094 /nfs/dbraw/zinc/05/90/94/384059094.db2.gz YVJHRCFJRNCTMO-JBRJIWJGSA-N 0 3 297.402 2.513 20 30 CFEDHN C[C@@H](CCc1ccc2c(c1)OCO2)NCc1ccc(C#N)o1 ZINC000266247239 384126991 /nfs/dbraw/zinc/12/69/91/384126991.db2.gz ZELIHPPWMIRQJJ-LBPRGKRZSA-N 0 3 298.342 2.991 20 30 CFEDHN C=CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1 ZINC000266430014 384174099 /nfs/dbraw/zinc/17/40/99/384174099.db2.gz UFGBVMCHPNYEAC-UHFFFAOYSA-N 0 3 270.380 2.632 20 30 CFEDHN C=CCN1CCC(Nc2ncccc2-c2nc(C)no2)CC1 ZINC000266464621 384180985 /nfs/dbraw/zinc/18/09/85/384180985.db2.gz ZJCJFZSYPGYTNT-UHFFFAOYSA-N 0 3 299.378 2.502 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC3(C2)CCOCC3)c1 ZINC000266569591 384200523 /nfs/dbraw/zinc/20/05/23/384200523.db2.gz PCHLKYDCCUVHRU-UHFFFAOYSA-N 0 3 274.339 2.700 20 30 CFEDHN CC#CC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000277317826 384266117 /nfs/dbraw/zinc/26/61/17/384266117.db2.gz FQNUHTDXFNLECM-UHFFFAOYSA-N 0 3 256.349 2.634 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCCN2C2CC2)c(F)c1 ZINC000277471546 384311686 /nfs/dbraw/zinc/31/16/86/384311686.db2.gz KHCDDQSUNJUTKF-MRXNPFEDSA-N 0 3 287.382 2.804 20 30 CFEDHN C=CCOc1ccc(CNCc2ccn(C)c2)cc1OC ZINC000267087886 384296955 /nfs/dbraw/zinc/29/69/55/384296955.db2.gz LWPCAJNQZPDGJW-UHFFFAOYSA-N 0 3 286.375 2.888 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(OCC(C)C)cc1 ZINC000641769059 384335266 /nfs/dbraw/zinc/33/52/66/384335266.db2.gz OUYOXAKXRWTVRH-INIZCTEOSA-N 0 3 275.392 2.585 20 30 CFEDHN CC(C)(C)CCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000267350452 384364998 /nfs/dbraw/zinc/36/49/98/384364998.db2.gz GJBSCFIHPGSJNJ-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C(F)(F)F)cc1C ZINC000641767015 384333236 /nfs/dbraw/zinc/33/32/36/384333236.db2.gz FUTKKKBLPPEUFK-CQSZACIVSA-N 0 3 285.309 2.878 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(Cl)cc1C ZINC000641768277 384334816 /nfs/dbraw/zinc/33/48/16/384334816.db2.gz YXRZRHFKEDLSNX-AWEZNQCLSA-N 0 3 251.757 2.512 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)nc1)c1ccccc1 ZINC000267393288 384378384 /nfs/dbraw/zinc/37/83/84/384378384.db2.gz NYNIAVPFLKIRJT-MRXNPFEDSA-N 0 3 266.348 2.668 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277923540 384441457 /nfs/dbraw/zinc/44/14/57/384441457.db2.gz NFOUAGSPWDPWBZ-INIZCTEOSA-N 0 3 276.424 2.888 20 30 CFEDHN C#C[C@@H](N[C@@H](C)CC(=O)Nc1ccc(OC)cc1)C(C)C ZINC000289352305 197307413 /nfs/dbraw/zinc/30/74/13/197307413.db2.gz JIEJEMREGDFLCI-XJKSGUPXSA-N 0 3 288.391 2.660 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)ccc1F ZINC000268258520 384584079 /nfs/dbraw/zinc/58/40/79/384584079.db2.gz WRQLFFYRZYVKOY-ZDUSSCGKSA-N 0 3 284.338 2.800 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000638407898 384627414 /nfs/dbraw/zinc/62/74/14/384627414.db2.gz CVXKBEQOAVAZBK-KGLIPLIRSA-N 0 3 252.402 2.565 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278873574 384600002 /nfs/dbraw/zinc/60/00/02/384600002.db2.gz XEXINQHPHSBPSV-CVEARBPZSA-N 0 3 299.418 2.998 20 30 CFEDHN C=CCCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000279545290 384672711 /nfs/dbraw/zinc/67/27/11/384672711.db2.gz MEHRGXCKRVIEHS-HZPDHXFCSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CC(C)(C)CCNC(=O)C[C@H](N)c1ccccc1 ZINC000638454494 384672710 /nfs/dbraw/zinc/67/27/10/384672710.db2.gz HNFKROWWQUALPE-AWEZNQCLSA-N 0 3 260.381 2.795 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCCC[C@H]1CO ZINC000269009746 384710061 /nfs/dbraw/zinc/71/00/61/384710061.db2.gz UGFOWDLGPLWQOR-HNNXBMFYSA-N 0 3 272.392 2.835 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](CO)NCC#Cc1ccc(F)cc1 ZINC000680989312 542395433 /nfs/dbraw/zinc/39/54/33/542395433.db2.gz FBUGVMPCHJGJOH-KXBFYZLASA-N 0 3 297.373 2.931 20 30 CFEDHN C=C(CNC(=O)CCN(C)c1ccncc1)c1ccccc1 ZINC000644139591 384871758 /nfs/dbraw/zinc/87/17/58/384871758.db2.gz APSBSOQCVYJAKE-UHFFFAOYSA-N 0 3 295.386 2.738 20 30 CFEDHN N#Cc1cccc(CNC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000269740740 384859636 /nfs/dbraw/zinc/85/96/36/384859636.db2.gz WZVQRSIUYHPIMV-QGZVFWFLSA-N 0 3 297.402 2.581 20 30 CFEDHN CCO[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC000270034278 384950734 /nfs/dbraw/zinc/95/07/34/384950734.db2.gz BJMMRNKYYJTUBV-JKSUJKDBSA-N 0 3 270.376 2.996 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000270099701 384977667 /nfs/dbraw/zinc/97/76/67/384977667.db2.gz LSVHJQZKKRQBKZ-GVDBMIGSSA-N 0 3 282.387 2.996 20 30 CFEDHN C=C(C)CCc1noc(C2CCN(C3CC3)CC2)n1 ZINC000289250975 197276216 /nfs/dbraw/zinc/27/62/16/197276216.db2.gz PVBUHDKELKDUHI-UHFFFAOYSA-N 0 3 261.369 2.920 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@]1(N)C[C@@H](OCC)C1(C)C ZINC000638875185 385009421 /nfs/dbraw/zinc/00/94/21/385009421.db2.gz OASSQKIWNZJFRK-CXAGYDPISA-N 0 3 296.455 2.628 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000280426289 385013010 /nfs/dbraw/zinc/01/30/10/385013010.db2.gz XEDZLFGYZKVUMZ-RYUDHWBXSA-N 0 3 280.799 2.724 20 30 CFEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)s1 ZINC000289266638 197279297 /nfs/dbraw/zinc/27/92/97/197279297.db2.gz GAMXPRHKCPULPM-LBPRGKRZSA-N 0 3 291.420 2.500 20 30 CFEDHN C#CCN(CC)C(=O)c1oc2ccccc2c1CN(C)C ZINC000270703802 385197892 /nfs/dbraw/zinc/19/78/92/385197892.db2.gz IRHKAKVFTQOELV-UHFFFAOYSA-N 0 3 284.359 2.590 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cccnc1Cl ZINC000280760633 385143183 /nfs/dbraw/zinc/14/31/83/385143183.db2.gz YQHMJDKQLZVUEP-YPMHNXCESA-N 0 3 266.772 2.806 20 30 CFEDHN COc1cc(CN2CCSCC[C@H]2C)ccc1C#N ZINC000282111096 385214169 /nfs/dbraw/zinc/21/41/69/385214169.db2.gz AFOTXVRMPXGKOO-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(F)cc1Cl ZINC000334760376 533108668 /nfs/dbraw/zinc/10/86/68/533108668.db2.gz CEJKXIGXNCHFMO-QMMMGPOBSA-N 0 3 254.692 2.597 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccccc3)C[C@H]2C)C1=O ZINC000282138429 385222352 /nfs/dbraw/zinc/22/23/52/385222352.db2.gz ZHZNYXCJXHRGCN-OIISXLGYSA-N 0 3 284.403 2.651 20 30 CFEDHN Cc1oc([N-]C(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c(C#N)c1C ZINC000282135218 385222580 /nfs/dbraw/zinc/22/25/80/385222580.db2.gz RPVMNEGGWMCNRI-CHIMOYNISA-N 0 3 289.379 2.873 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@]2(C)C[C@@H]2c2ccccc2)C1=O ZINC000639132080 385232485 /nfs/dbraw/zinc/23/24/85/385232485.db2.gz DRDUJWPKCFNAQH-ZHALLVOQSA-N 0 3 298.430 2.899 20 30 CFEDHN COc1cc(CN2CC[C@H](OC)C[C@H]2C)ccc1C#N ZINC000282328253 385283852 /nfs/dbraw/zinc/28/38/52/385283852.db2.gz OASBZTGMFPXCMN-DOMZBBRYSA-N 0 3 274.364 2.566 20 30 CFEDHN C=CCOc1cccc(CN(CCCOC)CCOC)c1 ZINC000271136127 385346775 /nfs/dbraw/zinc/34/67/75/385346775.db2.gz TXEMBRGASHRIDT-UHFFFAOYSA-N 0 3 293.407 2.736 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639233085 385362878 /nfs/dbraw/zinc/36/28/78/385362878.db2.gz VKMBPOVRBFPVCK-ILXRZTDVSA-N 0 3 290.411 2.749 20 30 CFEDHN C=C(CC)CNCc1cnn2cc(Br)cnc12 ZINC000639240012 385371195 /nfs/dbraw/zinc/37/11/95/385371195.db2.gz PRZAJCYRZRAKCU-UHFFFAOYSA-N 0 3 295.184 2.548 20 30 CFEDHN C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000271911606 385397719 /nfs/dbraw/zinc/39/77/19/385397719.db2.gz YBHGMIAVGMOICN-SKDRFNHKSA-N 0 3 272.270 2.522 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1nc2ccccc2nc1C ZINC000639273871 385402801 /nfs/dbraw/zinc/40/28/01/385402801.db2.gz GJLWYVIVXUGGAE-GUYCJALGSA-N 0 3 283.375 2.619 20 30 CFEDHN C[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271961758 385412734 /nfs/dbraw/zinc/41/27/34/385412734.db2.gz RPYAQZPCWQYTCG-CXAGYDPISA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271970865 385414900 /nfs/dbraw/zinc/41/49/00/385414900.db2.gz UJPCFZBXBBXSJA-LBPRGKRZSA-N 0 3 262.328 2.941 20 30 CFEDHN CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271974074 385415804 /nfs/dbraw/zinc/41/58/04/385415804.db2.gz VBXZMBGOGVPQEK-VXGBXAGGSA-N 0 3 291.370 2.653 20 30 CFEDHN C[C@H](N[C@H]1CCSC1)c1ccc(C#N)c(F)c1 ZINC000271975889 385416783 /nfs/dbraw/zinc/41/67/83/385416783.db2.gz VQEWHJGLQXWALL-CABZTGNLSA-N 0 3 250.342 2.853 20 30 CFEDHN C#CCCCC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000282974970 385418455 /nfs/dbraw/zinc/41/84/55/385418455.db2.gz PEQNCRKNMOXIGI-HNNXBMFYSA-N 0 3 292.810 2.862 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC000283313380 385455812 /nfs/dbraw/zinc/45/58/12/385455812.db2.gz ZCWYTYZLWFGNLG-STQMWFEESA-N 0 3 293.794 2.869 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)s1)[C@H]1CCCCO1 ZINC000272057534 385437140 /nfs/dbraw/zinc/43/71/40/385437140.db2.gz ZGVGCIIGUCXBDG-ZWNOBZJWSA-N 0 3 250.367 2.667 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000639347363 385470638 /nfs/dbraw/zinc/47/06/38/385470638.db2.gz ILCKUGTZCFZTHJ-LBPRGKRZSA-N 0 3 272.348 2.530 20 30 CFEDHN CC(C)[C@@H](Cn1cccn1)NCc1cccc(C#N)c1 ZINC000283849480 385507938 /nfs/dbraw/zinc/50/79/38/385507938.db2.gz BDKDXGSZBIEKKZ-MRXNPFEDSA-N 0 3 268.364 2.569 20 30 CFEDHN C=CCc1cc(CNC2(COC)CCC2)cc(OC)c1O ZINC000284036202 385526503 /nfs/dbraw/zinc/52/65/03/385526503.db2.gz OMRIZKWICFHTPZ-UHFFFAOYSA-N 0 3 291.391 2.788 20 30 CFEDHN C=CCOCCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000272525753 385558289 /nfs/dbraw/zinc/55/82/89/385558289.db2.gz IMXHZCVXPYPCOX-GFCCVEGCSA-N 0 3 265.401 2.800 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000272560521 385564803 /nfs/dbraw/zinc/56/48/03/385564803.db2.gz NNRUEWPOMHNTBK-AWEZNQCLSA-N 0 3 271.364 2.726 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCC[C@H]1O ZINC000272585339 385570054 /nfs/dbraw/zinc/57/00/54/385570054.db2.gz SJLMSMDXGGFXGQ-XJKSGUPXSA-N 0 3 276.355 2.680 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@H]1CCc2ncnn21 ZINC000639618320 385616446 /nfs/dbraw/zinc/61/64/46/385616446.db2.gz IUKGIXKHBGHRJW-INIZCTEOSA-N 0 3 282.391 2.844 20 30 CFEDHN CCN1CCN(CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000286433251 385619330 /nfs/dbraw/zinc/61/93/30/385619330.db2.gz IZKVCZQDMDNBIL-CQSZACIVSA-N 0 3 276.811 2.718 20 30 CFEDHN CCN1CCN(CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000286463954 385626403 /nfs/dbraw/zinc/62/64/03/385626403.db2.gz KMPWJNHOCDUFEZ-AWEZNQCLSA-N 0 3 276.811 2.718 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCO[C@@H]1C ZINC000639642518 385629585 /nfs/dbraw/zinc/62/95/85/385629585.db2.gz TVGLGAZLUCYSKD-KGLIPLIRSA-N 0 3 279.380 2.575 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](C)C(C)(C)c1ccccc1 ZINC000272889461 385641923 /nfs/dbraw/zinc/64/19/23/385641923.db2.gz SIQRHIHRJPTGFA-CQSZACIVSA-N 0 3 295.448 2.543 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(OC)c2ccccc12 ZINC000639664136 385646946 /nfs/dbraw/zinc/64/69/46/385646946.db2.gz GKODLCNAIVZJDO-CVEARBPZSA-N 0 3 284.359 2.677 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000274033690 385704209 /nfs/dbraw/zinc/70/42/09/385704209.db2.gz BUSCMTHMMLXTII-HOCLYGCPSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1cc(C#N)ccn1 ZINC000286807941 385714388 /nfs/dbraw/zinc/71/43/88/385714388.db2.gz KYANFMUIUQJXGX-RHSMWYFYSA-N 0 3 292.386 2.886 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000274641578 385839803 /nfs/dbraw/zinc/83/98/03/385839803.db2.gz ATAIINJIUNTOHC-JTQLQIEISA-N 0 3 277.343 2.803 20 30 CFEDHN C=CCC[C@@H](NC[C@](C)(O)C(=O)OCC)c1ccccc1 ZINC000274684674 385849349 /nfs/dbraw/zinc/84/93/49/385849349.db2.gz YAKZWJZQGOYQSN-WBVHZDCISA-N 0 3 291.391 2.598 20 30 CFEDHN C=C(C)CCN[C@H](C[S@@](C)=O)c1ccccc1 ZINC000274801167 385873487 /nfs/dbraw/zinc/87/34/87/385873487.db2.gz FHIBXYQFJLTASR-RHSMWYFYSA-N 0 3 251.395 2.662 20 30 CFEDHN C[C@H](CO)N(Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000276268268 385986132 /nfs/dbraw/zinc/98/61/32/385986132.db2.gz CDSCRHLMWJYDFQ-GFCCVEGCSA-N 0 3 276.355 2.823 20 30 CFEDHN CCC(CC)(CC(=O)OC)NCC#Cc1ccccc1 ZINC000276990883 386101505 /nfs/dbraw/zinc/10/15/05/386101505.db2.gz NDTDRPJOQYNZNB-UHFFFAOYSA-N 0 3 273.376 2.750 20 30 CFEDHN Cc1cccc2c1CN(C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000277023642 386109748 /nfs/dbraw/zinc/10/97/48/386109748.db2.gz APRNPALPKIFDHT-LJQANCHMSA-N 0 3 292.382 2.958 20 30 CFEDHN C[C@@H]1CC[C@@](CO)(N(C)CC#Cc2ccccc2)C1 ZINC000277049157 386117288 /nfs/dbraw/zinc/11/72/88/386117288.db2.gz USJMHDBQSXPQRD-NVXWUHKLSA-N 0 3 257.377 2.521 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccoc2C2CC2)CC1 ZINC000281331136 195200498 /nfs/dbraw/zinc/20/04/98/195200498.db2.gz RZUVJIISNMFEKR-UHFFFAOYSA-N 0 3 288.391 2.927 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@H](C)c2ccccc2)C1=O ZINC000281388282 195221173 /nfs/dbraw/zinc/22/11/73/195221173.db2.gz WQCUTTJMZAHSGM-RDJZCZTQSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](CC)c1cc(C)ccc1OC ZINC000186684181 260004895 /nfs/dbraw/zinc/00/48/95/260004895.db2.gz KQZVIZPLBWSYNA-ZFWWWQNUSA-N 0 3 263.381 2.981 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000186687018 260004900 /nfs/dbraw/zinc/00/49/00/260004900.db2.gz GDHWFQCTZSVYHM-JQWIXIFHSA-N 0 3 269.772 2.936 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(c2cccc(OC)c2)CC1 ZINC000682032054 542508542 /nfs/dbraw/zinc/50/85/42/542508542.db2.gz CCWZRVKMLHDTTA-KRWDZBQOSA-N 0 3 275.392 2.812 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000111257256 262258332 /nfs/dbraw/zinc/25/83/32/262258332.db2.gz LOGVQZFIYJOVHI-CQSZACIVSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCCC2(CCCCC2)C1 ZINC000111323935 262259754 /nfs/dbraw/zinc/25/97/54/262259754.db2.gz OMVZMGUZSMDWQZ-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000185940823 260021546 /nfs/dbraw/zinc/02/15/46/260021546.db2.gz KXHPCUHNVVJLMN-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187167406 260028349 /nfs/dbraw/zinc/02/83/49/260028349.db2.gz JDYQVZCUQLVBKX-CJNGLKHVSA-N 0 3 260.381 2.760 20 30 CFEDHN C=C(C)CNCc1c[nH]nc1-c1cccc(OC)c1 ZINC000682168341 542532517 /nfs/dbraw/zinc/53/25/17/542532517.db2.gz FHOXQHYFNWABRH-UHFFFAOYSA-N 0 3 257.337 2.751 20 30 CFEDHN C=C(C)[C@@H](CO)N(CC)Cc1c[nH]c2ccccc12 ZINC000682372614 542542419 /nfs/dbraw/zinc/54/24/19/542542419.db2.gz MFKKPLJSVWRBSW-MRXNPFEDSA-N 0 3 258.365 2.927 20 30 CFEDHN CC#CCN1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000363335051 260061856 /nfs/dbraw/zinc/06/18/56/260061856.db2.gz KCCAIPHBLZWSFX-UHFFFAOYSA-N 0 3 271.339 2.905 20 30 CFEDHN COc1cc(CNC[C@@H](O)c2cccc(C)c2)ccc1C#N ZINC000281668996 195328492 /nfs/dbraw/zinc/32/84/92/195328492.db2.gz LIQZFGXDAGEBIV-QGZVFWFLSA-N 0 3 296.370 2.699 20 30 CFEDHN C#CCSCCN[C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281778194 195378691 /nfs/dbraw/zinc/37/86/91/195378691.db2.gz XDKYYGQTALVQMY-CQSZACIVSA-N 0 3 279.380 2.778 20 30 CFEDHN C=CC[C@@H](CC)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000281644885 195319856 /nfs/dbraw/zinc/31/98/56/195319856.db2.gz PHFLZKTYZYFADU-ZIAGYGMSSA-N 0 3 281.421 2.793 20 30 CFEDHN C/C=C/C=C\C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000490702758 533443518 /nfs/dbraw/zinc/44/35/18/533443518.db2.gz NLVZZRYWGAEPKE-DEQVHDEQSA-N 0 3 297.402 2.581 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)NC[C@H](C)N(C)C)c1 ZINC000263653963 533520945 /nfs/dbraw/zinc/52/09/45/533520945.db2.gz MBWCDBGCBNQNQF-ZDUSSCGKSA-N 0 3 291.395 2.713 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426484277 533497170 /nfs/dbraw/zinc/49/71/70/533497170.db2.gz FVMOTRZWZBXYTI-HIFRSBDPSA-N 0 3 256.349 2.941 20 30 CFEDHN C=CC[C@@H](CO)NCc1c(Cl)cccc1CC ZINC000682730519 542585387 /nfs/dbraw/zinc/58/53/87/542585387.db2.gz HIMQJOOVXFIRGB-LBPRGKRZSA-N 0 3 253.773 2.929 20 30 CFEDHN C[C@H](C[C@H](O)c1cccs1)NCc1cc(C#N)n(C)c1 ZINC000191516543 130248126 /nfs/dbraw/zinc/24/81/26/130248126.db2.gz WSSQFSNMFPPZDG-RISCZKNCSA-N 0 3 289.404 2.560 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)NCc1cc(C#N)n(C)c1 ZINC000191561593 130254497 /nfs/dbraw/zinc/25/44/97/130254497.db2.gz WYMXHZRJIKLGRA-HNNXBMFYSA-N 0 3 296.418 2.507 20 30 CFEDHN COc1cccc([C@H](C)NCc2cc(C#N)n(C)c2)c1 ZINC000232314781 130924060 /nfs/dbraw/zinc/92/40/60/130924060.db2.gz CEPNXDPYXOVHDL-LBPRGKRZSA-N 0 3 269.348 2.756 20 30 CFEDHN C=CCCC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000236754264 130972087 /nfs/dbraw/zinc/97/20/87/130972087.db2.gz SQOUPCGSYRVHQQ-HNNXBMFYSA-N 0 3 260.381 2.892 20 30 CFEDHN C=C(C)CNCc1ccc(OC(F)F)c(OC)c1 ZINC000237135924 131006865 /nfs/dbraw/zinc/00/68/65/131006865.db2.gz QLYYVVXPMATLJG-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000263697753 131311134 /nfs/dbraw/zinc/31/11/34/131311134.db2.gz RQUVMDNIJUKRLG-AJNGGQMLSA-N 0 3 299.418 2.997 20 30 CFEDHN CN(CCOc1ccccc1C#N)[C@H](CO)c1ccccc1 ZINC000264067012 131389583 /nfs/dbraw/zinc/38/95/83/131389583.db2.gz YKZBZUOEIUADLO-QGZVFWFLSA-N 0 3 296.370 2.602 20 30 CFEDHN C[C@@](O)(CNCc1ccc(C#N)cc1)c1cccs1 ZINC000265798377 131639172 /nfs/dbraw/zinc/63/91/72/131639172.db2.gz RZAVKUMJSGGXGS-OAHLLOKOSA-N 0 3 272.373 2.617 20 30 CFEDHN C[C@@H](O)CC(C)(C)CNCc1ccc(C#N)cc1F ZINC000269401612 132165867 /nfs/dbraw/zinc/16/58/67/132165867.db2.gz GFVJILDWQNLJKG-LLVKDONJSA-N 0 3 264.344 2.584 20 30 CFEDHN CC[C@@H](CNCc1ccc(C#N)cc1F)N1CCCC1 ZINC000269456828 132173592 /nfs/dbraw/zinc/17/35/92/132173592.db2.gz XCBZOWBSEVFDJQ-HNNXBMFYSA-N 0 3 275.371 2.661 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](c2ccco2)C1 ZINC000374003023 393480015 /nfs/dbraw/zinc/48/00/15/393480015.db2.gz NZJBNXSDTMKNCA-CABCVRRESA-N 0 3 290.407 2.882 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000372854641 393458266 /nfs/dbraw/zinc/45/82/66/393458266.db2.gz DCPUDTXAYWOKAD-ROUUACIJSA-N 0 3 298.430 2.969 20 30 CFEDHN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000373813859 393472486 /nfs/dbraw/zinc/47/24/86/393472486.db2.gz YFUJDENCHXQFFC-OALUTQOASA-N 0 3 296.414 2.513 20 30 CFEDHN C#CCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccs1 ZINC000373794549 393473576 /nfs/dbraw/zinc/47/35/76/393473576.db2.gz HXDQIQQYJKITRM-XJKSGUPXSA-N 0 3 290.432 2.661 20 30 CFEDHN CC1(C)CN(CCCSCC#N)[C@@H]2CCC[C@H]2O1 ZINC000373868673 393476077 /nfs/dbraw/zinc/47/60/77/393476077.db2.gz RPZIPJNVEVDBCR-CHWSQXEVSA-N 0 3 268.426 2.665 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](c2ccco2)C1 ZINC000374003028 393479049 /nfs/dbraw/zinc/47/90/49/393479049.db2.gz NZJBNXSDTMKNCA-HUUCEWRRSA-N 0 3 290.407 2.882 20 30 CFEDHN CC(=O)c1ccc2c(c1)CCN(CCCCC#N)CC2 ZINC000374368945 393496148 /nfs/dbraw/zinc/49/61/48/393496148.db2.gz WWZQGTWACHKLME-UHFFFAOYSA-N 0 3 270.376 2.984 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000374407620 393496167 /nfs/dbraw/zinc/49/61/67/393496167.db2.gz WSHZUFFUTNNPTJ-CVEARBPZSA-N 0 3 261.365 2.769 20 30 CFEDHN N#CCCCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000303980420 393497338 /nfs/dbraw/zinc/49/73/38/393497338.db2.gz FHUGRZZNVOVKHF-MRXNPFEDSA-N 0 3 276.355 2.875 20 30 CFEDHN C=CCN(CCCn1ccnc1)Cc1ccc(OC)cc1 ZINC000183165131 393517260 /nfs/dbraw/zinc/51/72/60/393517260.db2.gz KQISUSQTCGMRCH-UHFFFAOYSA-N 0 3 285.391 2.970 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccccc1C)C(C)C ZINC000183214353 393518743 /nfs/dbraw/zinc/51/87/43/393518743.db2.gz BEIFKHITNVRMEV-INIZCTEOSA-N 0 3 260.381 2.584 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000184283455 393525758 /nfs/dbraw/zinc/52/57/58/393525758.db2.gz NCRIBGKINOELKM-GFCCVEGCSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000184266638 393526082 /nfs/dbraw/zinc/52/60/82/393526082.db2.gz PEGAHPVYGNHXCO-HNNXBMFYSA-N 0 3 291.391 2.677 20 30 CFEDHN C=CC[C@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000184274321 393526210 /nfs/dbraw/zinc/52/62/10/393526210.db2.gz PPZDXQIXRVOLJZ-CQSZACIVSA-N 0 3 291.782 2.552 20 30 CFEDHN CCCc1nc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)co1 ZINC000329499666 393538895 /nfs/dbraw/zinc/53/88/95/393538895.db2.gz HDCXWESEWBBABP-GFCCVEGCSA-N 0 3 291.395 2.949 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000380962996 393558977 /nfs/dbraw/zinc/55/89/77/393558977.db2.gz XIKYKAVYOJBRIJ-SJORKVTESA-N 0 3 299.418 2.565 20 30 CFEDHN C[C@H]1CCCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000187970185 393560133 /nfs/dbraw/zinc/56/01/33/393560133.db2.gz TUFUFIGCCFAEJC-WMLDXEAASA-N 0 3 297.402 2.786 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CCN(C3CCCCC3)CC2)C1 ZINC000334205621 393579690 /nfs/dbraw/zinc/57/96/90/393579690.db2.gz YCZMCGNEWLUXPD-ZBFHGGJFSA-N 0 3 261.413 2.629 20 30 CFEDHN CN(CCNCc1cccc(C#N)c1)c1ccccc1 ZINC000075756369 393678411 /nfs/dbraw/zinc/67/84/11/393678411.db2.gz OINIOZJGQAFFPQ-UHFFFAOYSA-N 0 3 265.360 2.784 20 30 CFEDHN CCC(CC)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000192699481 393630211 /nfs/dbraw/zinc/63/02/11/393630211.db2.gz HGSGZJQVBOZEOY-NSHDSACASA-N 0 3 259.353 2.663 20 30 CFEDHN CC(C)N(C)C(=O)CN[C@@H](CCCC#N)c1ccccc1 ZINC000411753020 393745987 /nfs/dbraw/zinc/74/59/87/393745987.db2.gz FAPVRBYGXYORMI-INIZCTEOSA-N 0 3 287.407 2.878 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)C(C)(C)C2)CC1 ZINC000335815168 393702578 /nfs/dbraw/zinc/70/25/78/393702578.db2.gz QVQPOITWOJPQQA-AWEZNQCLSA-N 0 3 293.455 2.714 20 30 CFEDHN C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000411984850 393759661 /nfs/dbraw/zinc/75/96/61/393759661.db2.gz NSKSLFMNFHBUIR-NJAFHUGGSA-N 0 3 283.419 2.885 20 30 CFEDHN CN(C)Cc1ccc(NC(=O)CC(C)(C)C#N)c(F)c1 ZINC000412560620 393770227 /nfs/dbraw/zinc/77/02/27/393770227.db2.gz QGOBRXROWPGQMF-UHFFFAOYSA-N 0 3 277.343 2.766 20 30 CFEDHN CCN(CCC#N)C(=O)CN(C)[C@H](C)C1CCCCC1 ZINC000338338790 393781965 /nfs/dbraw/zinc/78/19/65/393781965.db2.gz ANTHGUIFDKRUIK-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413394391 393782441 /nfs/dbraw/zinc/78/24/41/393782441.db2.gz AYNWBXVPSFNZNW-QGZVFWFLSA-N 0 3 299.418 2.950 20 30 CFEDHN C[C@@H](C(=O)N[C@@H](C#N)C1CCCCC1)N1[C@H](C)CC[C@@H]1C ZINC000413557798 393785167 /nfs/dbraw/zinc/78/51/67/393785167.db2.gz SDQBOBXFKYZYJK-FQLMCAECSA-N 0 3 291.439 2.836 20 30 CFEDHN N#CCCOCCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000338914097 393804527 /nfs/dbraw/zinc/80/45/27/393804527.db2.gz CDMXEDOXRRMOSF-AWEZNQCLSA-N 0 3 294.420 2.659 20 30 CFEDHN CCCCCC(=O)NC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338942318 393806415 /nfs/dbraw/zinc/80/64/15/393806415.db2.gz KZPVZNHGSFJQTG-HOCLYGCPSA-N 0 3 291.439 2.840 20 30 CFEDHN CC1CCC(OC2CCN(CCOCCC#N)CC2)CC1 ZINC000338983535 393808702 /nfs/dbraw/zinc/80/87/02/393808702.db2.gz ZLGPFCRIYKFRRW-UHFFFAOYSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCOCCN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000339045431 393812216 /nfs/dbraw/zinc/81/22/16/393812216.db2.gz UXUZNABRLDDRDW-BBRMVZONSA-N 0 3 261.365 2.513 20 30 CFEDHN C=CCOCCN1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000339087808 393818468 /nfs/dbraw/zinc/81/84/68/393818468.db2.gz JXEXTYLLEPKSSH-SFHVURJKSA-N 0 3 288.435 2.785 20 30 CFEDHN C=CCC(C)(C)CNCc1ncc(COC)s1 ZINC000339417013 393824722 /nfs/dbraw/zinc/82/47/22/393824722.db2.gz PDMBGBFKWAXIMT-UHFFFAOYSA-N 0 3 254.399 2.981 20 30 CFEDHN COc1ccc(CN(C)CC[C@@H]2CCCO2)cc1C#N ZINC000342599165 393867557 /nfs/dbraw/zinc/86/75/57/393867557.db2.gz JOMPPXNSCMWYMA-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN CC[C@@H](C)CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000111253759 393883998 /nfs/dbraw/zinc/88/39/98/393883998.db2.gz MPEUNCIDQHKLIQ-KGLIPLIRSA-N 0 3 279.428 2.695 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000345609711 393912209 /nfs/dbraw/zinc/91/22/09/393912209.db2.gz WKWCSAITYOBBRF-KGLIPLIRSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@](C)(CC)C1 ZINC000344234240 393897043 /nfs/dbraw/zinc/89/70/43/393897043.db2.gz JCQOKVIOCGGEML-ZBFHGGJFSA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000345662049 393913713 /nfs/dbraw/zinc/91/37/13/393913713.db2.gz JPYVARACMUMVQJ-UHIISALHSA-N 0 3 260.312 2.895 20 30 CFEDHN C=CCC[C@@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000345482966 393909747 /nfs/dbraw/zinc/90/97/47/393909747.db2.gz KJKNCCVWTMJNKG-SNVBAGLBSA-N 0 3 273.423 2.596 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000104705697 393861634 /nfs/dbraw/zinc/86/16/34/393861634.db2.gz LNKXNUARWZJNQT-INIZCTEOSA-N 0 3 276.355 2.559 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000684671341 542843267 /nfs/dbraw/zinc/84/32/67/542843267.db2.gz LXNHAUARNKFVFU-CVEARBPZSA-N 0 3 284.403 2.773 20 30 CFEDHN CCC#C[C@H](C)N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000684671343 542843142 /nfs/dbraw/zinc/84/31/42/542843142.db2.gz LXNHAUARNKFVFU-HOTGVXAUSA-N 0 3 284.403 2.773 20 30 CFEDHN CO[C@@H]1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000471778223 393914525 /nfs/dbraw/zinc/91/45/25/393914525.db2.gz DHNRSSTZQOLAPG-KGYLQXTDSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346251346 393924386 /nfs/dbraw/zinc/92/43/86/393924386.db2.gz ZAZPXEGQZNXIMH-QLFBSQMISA-N 0 3 278.440 2.777 20 30 CFEDHN C=C(C)[C@@H](CC(=O)NCCN1CCCC(C)(C)C1)OCC ZINC000347476244 393941261 /nfs/dbraw/zinc/94/12/61/393941261.db2.gz YSTZJXSQBJJZQP-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000121047532 393947238 /nfs/dbraw/zinc/94/72/38/393947238.db2.gz UYYMHVDDJXGGII-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCN(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000121074073 393947808 /nfs/dbraw/zinc/94/78/08/393947808.db2.gz IEUDRVFMHJTVMF-GFCCVEGCSA-N 0 3 292.345 2.685 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1c3ccccc3C[C@H]1O)CC2 ZINC000353262401 394027211 /nfs/dbraw/zinc/02/72/11/394027211.db2.gz VJUNWJDZLGAZGI-QRVBRYPASA-N 0 3 290.366 2.793 20 30 CFEDHN C[C@H](CN(C)C)NC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000348639434 393955741 /nfs/dbraw/zinc/95/57/41/393955741.db2.gz ZGKZROSSSMQIPF-GFCCVEGCSA-N 0 3 288.395 2.559 20 30 CFEDHN COc1cc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000348683263 393956380 /nfs/dbraw/zinc/95/63/80/393956380.db2.gz OJIZDCGPCYIMQG-OUCADQQQSA-N 0 3 259.353 2.823 20 30 CFEDHN C=C(C)COc1cc(CN(CC)C[C@H](C)O)ccc1OC ZINC000348718891 393957523 /nfs/dbraw/zinc/95/75/23/393957523.db2.gz YKJVKBXUFCQCMK-AWEZNQCLSA-N 0 3 293.407 2.853 20 30 CFEDHN C=CCc1cc(CN(C)C[C@H](C)OC)cc(OC)c1O ZINC000348836518 393959277 /nfs/dbraw/zinc/95/92/77/393959277.db2.gz CRYVSENIVJXAHX-LBPRGKRZSA-N 0 3 279.380 2.596 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000349076375 393962444 /nfs/dbraw/zinc/96/24/44/393962444.db2.gz LXFREXBMHHYXLO-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C[C@@H]1O ZINC000349406346 393969546 /nfs/dbraw/zinc/96/95/46/393969546.db2.gz KUKGSOFBDBRRCV-PBHICJAKSA-N 0 3 288.391 2.572 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000349601594 393971270 /nfs/dbraw/zinc/97/12/70/393971270.db2.gz STMMAQVHLFCDOR-MISXGVKJSA-N 0 3 260.312 2.895 20 30 CFEDHN CC(C)N1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000265162338 393972769 /nfs/dbraw/zinc/97/27/69/393972769.db2.gz FGTOPETWZHAXEC-LLVKDONJSA-N 0 3 298.312 2.867 20 30 CFEDHN CC1=C[C@H](C)CN(CCOc2ccc(C#N)cc2)C1 ZINC000430271448 393975953 /nfs/dbraw/zinc/97/59/53/393975953.db2.gz XVHGDCCVGPYGIZ-ZDUSSCGKSA-N 0 3 256.349 2.835 20 30 CFEDHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000123166435 393977049 /nfs/dbraw/zinc/97/70/49/393977049.db2.gz DESNOMYBBANNCE-CQSZACIVSA-N 0 3 285.391 2.680 20 30 CFEDHN CC(C)[C@H]1CN(c2ccc(Cl)cc2C#N)CCN1C ZINC000487041101 393981163 /nfs/dbraw/zinc/98/11/63/393981163.db2.gz GSDKLVOELWUBTN-OAHLLOKOSA-N 0 3 277.799 2.988 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCC ZINC000123543013 393983012 /nfs/dbraw/zinc/98/30/12/393983012.db2.gz KEAZTWAMAWIIKR-ZDUSSCGKSA-N 0 3 280.437 2.993 20 30 CFEDHN N#Cc1cccc(CN[C@H](CO)CC2CCCCC2)c1 ZINC000418126923 394015369 /nfs/dbraw/zinc/01/53/69/394015369.db2.gz MTAXXNIGGVVLFM-KRWDZBQOSA-N 0 3 272.392 2.979 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)o2)C1(C)C ZINC000274203850 394040035 /nfs/dbraw/zinc/04/00/35/394040035.db2.gz JBOQBSQRJZESDW-KGLIPLIRSA-N 0 3 262.353 2.833 20 30 CFEDHN C=C[C@@H]1CCCCN1CCOc1ccc(C#N)cc1 ZINC000489433657 394041358 /nfs/dbraw/zinc/04/13/58/394041358.db2.gz SFXAHBLTHSKRBB-OAHLLOKOSA-N 0 3 256.349 2.978 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)O ZINC000437159396 394048427 /nfs/dbraw/zinc/04/84/27/394048427.db2.gz FOWXCXXJNKLBCR-LLVKDONJSA-N 0 3 298.333 2.751 20 30 CFEDHN C#C[C@H](NC[C@@H](O)c1ccc(Br)cc1)C(C)C ZINC000491385767 394049554 /nfs/dbraw/zinc/04/95/54/394049554.db2.gz SEFWSLBCEZYSHB-UONOGXRCSA-N 0 3 296.208 2.730 20 30 CFEDHN C#CCCCC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 ZINC000277344597 394055837 /nfs/dbraw/zinc/05/58/37/394055837.db2.gz ZMCLSZPLJOWMRZ-AEFFLSMTSA-N 0 3 296.414 2.933 20 30 CFEDHN CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1ccc(C#N)cc1 ZINC000278360906 394060518 /nfs/dbraw/zinc/06/05/18/394060518.db2.gz BIOICMIGEBQKBC-HOTGVXAUSA-N 0 3 295.390 2.514 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355786070 394070253 /nfs/dbraw/zinc/07/02/53/394070253.db2.gz RSZAIEIEOMCGKM-ILXRZTDVSA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@H](CCC#N)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000492749070 394076135 /nfs/dbraw/zinc/07/61/35/394076135.db2.gz PMOIYKILLCQWCV-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000492749071 394076184 /nfs/dbraw/zinc/07/61/84/394076184.db2.gz PMOIYKILLCQWCV-ZDUSSCGKSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@H]2CCCc3ccccc32)C1=O ZINC000281869202 394086508 /nfs/dbraw/zinc/08/65/08/394086508.db2.gz CDMFKSKIINMRGC-IRXDYDNUSA-N 0 3 284.403 2.783 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC1CCN(CC(=C)C)CC1 ZINC000281868577 394086570 /nfs/dbraw/zinc/08/65/70/394086570.db2.gz NGTJMJXAFFLXSB-CQSZACIVSA-N 0 3 279.428 2.681 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](c2ccccc2C)C2CC2)C1=O ZINC000281886368 394088777 /nfs/dbraw/zinc/08/87/77/394088777.db2.gz DLBWOGZANYQRFE-IAGOWNOFSA-N 0 3 284.403 2.823 20 30 CFEDHN C=CCCN1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492885681 394089431 /nfs/dbraw/zinc/08/94/31/394089431.db2.gz YJBABIRBWQCSAA-GFCCVEGCSA-N 0 3 254.374 2.504 20 30 CFEDHN COc1cc(C#N)ccc1CN(CCO)[C@H]1CC[C@H](C)C1 ZINC000439008213 394093779 /nfs/dbraw/zinc/09/37/79/394093779.db2.gz TXCYTUYINPCSCG-BBRMVZONSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CN1C1CC1 ZINC000133557946 394177988 /nfs/dbraw/zinc/17/79/88/394177988.db2.gz AAEQJJXSFKQDJJ-NXEZZACHSA-N 0 3 276.771 2.644 20 30 CFEDHN CCC(CC)CN(CC)CC(=O)N(CC)C[C@H](C)C#N ZINC000358930151 394116171 /nfs/dbraw/zinc/11/61/71/394116171.db2.gz DXKAIEGLKCYYCM-CQSZACIVSA-N 0 3 281.444 2.753 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2C)CC1 ZINC000358974406 394118138 /nfs/dbraw/zinc/11/81/38/394118138.db2.gz IDQPOUGTMHUHRK-GJZGRUSLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2cc(F)ccc21 ZINC000359232176 394128066 /nfs/dbraw/zinc/12/80/66/394128066.db2.gz ZMBGOECTQIIMAR-SWLSCSKDSA-N 0 3 279.355 2.814 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1C[C@H](C)C[C@H](CO)C1 ZINC000420940488 394132256 /nfs/dbraw/zinc/13/22/56/394132256.db2.gz MWBOIRXKQHLEBN-NFAWXSAZSA-N 0 3 258.365 2.570 20 30 CFEDHN C[C@@H]1CCN(C)CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000360279022 394147358 /nfs/dbraw/zinc/14/73/58/394147358.db2.gz MTNFYEIZAJRWAL-SNVBAGLBSA-N 0 3 298.312 2.502 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC000360627451 394155835 /nfs/dbraw/zinc/15/58/35/394155835.db2.gz KXWHINJQZYVELJ-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000360642700 394156741 /nfs/dbraw/zinc/15/67/41/394156741.db2.gz WFGFEZUVSOLOAC-KWCYVHTRSA-N 0 3 272.348 2.508 20 30 CFEDHN CC#CCCNCc1ccc(OCC(F)F)cc1 ZINC000360957805 394162213 /nfs/dbraw/zinc/16/22/13/394162213.db2.gz NPXDLRQYJIUUBU-UHFFFAOYSA-N 0 3 253.292 2.834 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](O)C2(C)C)cc1OC ZINC000361064329 394164094 /nfs/dbraw/zinc/16/40/94/394164094.db2.gz CHPWMEPLRMDLLS-MRXNPFEDSA-N 0 3 291.391 2.605 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000361158280 394166950 /nfs/dbraw/zinc/16/69/50/394166950.db2.gz ZFMGQSULXRCQME-HUUCEWRRSA-N 0 3 274.408 2.776 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@H]1O ZINC000286678411 394199188 /nfs/dbraw/zinc/19/91/88/394199188.db2.gz VLBUHHCYOOZPHE-HUUCEWRRSA-N 0 3 297.320 2.902 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000421373155 394207103 /nfs/dbraw/zinc/20/71/03/394207103.db2.gz ZLALYNLTYWQKIB-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN C=C(C)CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000287985733 394211017 /nfs/dbraw/zinc/21/10/17/394211017.db2.gz KRCOKCQMSCZHPL-UKRRQHHQSA-N 0 3 275.396 2.553 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)s1)[C@H]1CCOC1 ZINC000291305087 394238221 /nfs/dbraw/zinc/23/82/21/394238221.db2.gz RASPZFXWEJKNKA-NSHDSACASA-N 0 3 250.367 2.619 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2ncc(C)s2)C1 ZINC000366180617 394240421 /nfs/dbraw/zinc/24/04/21/394240421.db2.gz WDGRMARKRFPIJY-UONOGXRCSA-N 0 3 280.437 2.958 20 30 CFEDHN C[C@@H]1CCCCN1CCNCc1ccc(C#N)c(F)c1 ZINC000421337307 394190724 /nfs/dbraw/zinc/19/07/24/394190724.db2.gz YMYFSTKYAQYPGS-CYBMUJFWSA-N 0 3 275.371 2.661 20 30 CFEDHN N#Cc1ccc(CNCCCNc2ccccn2)cc1F ZINC000421340966 394192049 /nfs/dbraw/zinc/19/20/49/394192049.db2.gz JJUBEWULETYMNE-UHFFFAOYSA-N 0 3 284.338 2.684 20 30 CFEDHN C=CCCCCCN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000150900476 394255510 /nfs/dbraw/zinc/25/55/10/394255510.db2.gz SEJJEAWZYRPXFU-LBPRGKRZSA-N 0 3 292.345 2.828 20 30 CFEDHN CC#CCN(Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000156210485 394330622 /nfs/dbraw/zinc/33/06/22/394330622.db2.gz QHVPHRKLXIYMKI-QGZVFWFLSA-N 0 3 275.392 2.537 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCN(C2CCCC2)CC1 ZINC000153631637 394287479 /nfs/dbraw/zinc/28/74/79/394287479.db2.gz OYYCLXMWQBEIIU-UHFFFAOYSA-N 0 3 299.418 2.627 20 30 CFEDHN CC#CCCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000155045992 394308586 /nfs/dbraw/zinc/30/85/86/394308586.db2.gz ARQCTHUOIGXQTP-UHFFFAOYSA-N 0 3 274.383 2.747 20 30 CFEDHN COC[C@H](NCc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000453362624 394391034 /nfs/dbraw/zinc/39/10/34/394391034.db2.gz BMAGMHDNXQZDGG-INIZCTEOSA-N 0 3 276.355 2.992 20 30 CFEDHN C[C@@H](NC[C@@H](O)C1CCC1)c1ccc(C#N)cc1F ZINC000453365091 394391169 /nfs/dbraw/zinc/39/11/69/394391169.db2.gz CQYYVBCWIRLSCC-MEBBXXQBSA-N 0 3 262.328 2.509 20 30 CFEDHN CN(CCN(C)CC(C)(C)C#N)Cc1ccccc1 ZINC000451068332 394354333 /nfs/dbraw/zinc/35/43/33/394354333.db2.gz ZHAAGWUFUQYITA-UHFFFAOYSA-N 0 3 259.397 2.600 20 30 CFEDHN CC(C)C[C@@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000271322962 135095036 /nfs/dbraw/zinc/09/50/36/135095036.db2.gz XPRMDHOYGKNYAA-CQSZACIVSA-N 0 3 272.396 2.510 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cc(C#N)cs1 ZINC000527805259 394410443 /nfs/dbraw/zinc/41/04/43/394410443.db2.gz UXCLKKHVGHONEW-COMAGPEQSA-N 0 3 250.367 2.521 20 30 CFEDHN CCC#C[C@H](C)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000685582241 542930791 /nfs/dbraw/zinc/93/07/91/542930791.db2.gz LBWWCTVPINWHRK-USXIJHARSA-N 0 3 256.393 2.823 20 30 CFEDHN N#Cc1ccc(N2CCC[C@@H](N3C4CCC3CC4)C2=O)cc1 ZINC000538703437 394609306 /nfs/dbraw/zinc/60/93/06/394609306.db2.gz RXEOEMHPCZYKOQ-OFLPRAFFSA-N 0 3 295.386 2.680 20 30 CFEDHN Cc1cc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1C#N ZINC000556845815 395020754 /nfs/dbraw/zinc/02/07/54/395020754.db2.gz IBNGYKKVZFNWTB-NVXWUHKLSA-N 0 3 299.418 2.650 20 30 CFEDHN CCC1(CC)[C@H](NCc2ccc(C#N)cn2)[C@H](C)[C@@H]1OC ZINC000558245647 395055553 /nfs/dbraw/zinc/05/55/53/395055553.db2.gz HBXQPWLBZGQOFQ-MAZHCROVSA-N 0 3 287.407 2.883 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000594427195 395103316 /nfs/dbraw/zinc/10/33/16/395103316.db2.gz GSTNWHRMOVGOQM-GXTWGEPZSA-N 0 3 291.420 2.727 20 30 CFEDHN C=CCC1(CNCc2cncnc2OC)CCCC1 ZINC000647215742 395232183 /nfs/dbraw/zinc/23/21/83/395232183.db2.gz GLNUVQGCKIECTQ-UHFFFAOYSA-N 0 3 261.369 2.711 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288119 395272416 /nfs/dbraw/zinc/27/24/16/395272416.db2.gz MFVKOKGCTBFBJX-CQSZACIVSA-N 0 3 288.439 2.520 20 30 CFEDHN C=CCC1(C(=O)Nc2cnn(CCN(C)C)c2)CCCC1 ZINC000648899849 395354443 /nfs/dbraw/zinc/35/44/43/395354443.db2.gz UKMWCPKXIYNFML-UHFFFAOYSA-N 0 3 290.411 2.520 20 30 CFEDHN C=CCC(CC=C)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000648999101 395392901 /nfs/dbraw/zinc/39/29/01/395392901.db2.gz ZTTILNFCMOIQBO-HNNXBMFYSA-N 0 3 264.413 2.698 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000649287200 395468074 /nfs/dbraw/zinc/46/80/74/395468074.db2.gz NZJXCNMNSLVZTK-QGZVFWFLSA-N 0 3 288.435 2.520 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649662734 395548534 /nfs/dbraw/zinc/54/85/34/395548534.db2.gz NRXXHFRZDUIKNM-JKSUJKDBSA-N 0 3 263.356 2.726 20 30 CFEDHN CC#CCCN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649779339 395570273 /nfs/dbraw/zinc/57/02/73/395570273.db2.gz LHTCGXZSJBOUNS-UKRRQHHQSA-N 0 3 287.407 2.861 20 30 CFEDHN C=CCN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000649782224 395570402 /nfs/dbraw/zinc/57/04/02/395570402.db2.gz HLTPIWDSMGNWBA-DGCLKSJQSA-N 0 3 261.369 2.634 20 30 CFEDHN C=CCOCCNCc1ccc(OC)c(OC(F)F)c1 ZINC000380393747 543074035 /nfs/dbraw/zinc/07/40/35/543074035.db2.gz AXJVLCRXMDGNMF-UHFFFAOYSA-N 0 3 287.306 2.589 20 30 CFEDHN Cc1c(C(=O)C(C#N)c2cnc3ccccc3n2)ccn1C ZINC000195028839 543096348 /nfs/dbraw/zinc/09/63/48/543096348.db2.gz QENBCFIRAZWFJZ-CYBMUJFWSA-N 0 3 290.326 2.767 20 30 CFEDHN C=CCOc1ccccc1CNCC[C@H]1CCCO1 ZINC000037988721 397551171 /nfs/dbraw/zinc/55/11/71/397551171.db2.gz YIXXRNFCULJLQZ-OAHLLOKOSA-N 0 3 261.365 2.910 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(C#N)s2)C1 ZINC000356369845 155241577 /nfs/dbraw/zinc/24/15/77/155241577.db2.gz QEEHVVCSAFSNDA-VXGBXAGGSA-N 0 3 264.394 2.603 20 30 CFEDHN C=C(C)[C@H](NC[C@@]1(O)CCCOC1)c1ccc(F)c(F)c1 ZINC000660311694 413238313 /nfs/dbraw/zinc/23/83/13/413238313.db2.gz JEUZVVPDFMYLAF-HOTGVXAUSA-N 0 3 297.345 2.713 20 30 CFEDHN COCC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118399635 292267725 /nfs/dbraw/zinc/26/77/25/292267725.db2.gz JAVBLNVXWTYTRS-CYBMUJFWSA-N 0 3 258.365 2.978 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC001085277436 782004069 /nfs/dbraw/zinc/00/40/69/782004069.db2.gz HDEQRCPURULJRG-VXGBXAGGSA-N 0 3 299.777 2.537 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN1CCC[C@@H](C)C1 ZINC000660395972 413285266 /nfs/dbraw/zinc/28/52/66/413285266.db2.gz NLQAUPGXQQQUDA-BMFZPTHFSA-N 0 3 291.439 2.611 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)cc1F)c1ccco1 ZINC000343075224 154105220 /nfs/dbraw/zinc/10/52/20/154105220.db2.gz ZDRFWMADZJQMJF-OAHLLOKOSA-N 0 3 287.338 2.683 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000343113682 154116806 /nfs/dbraw/zinc/11/68/06/154116806.db2.gz LFATWUFYKFXLDU-QGZVFWFLSA-N 0 3 266.344 2.724 20 30 CFEDHN C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000355417470 155003541 /nfs/dbraw/zinc/00/35/41/155003541.db2.gz YUCSVROXTFVDRS-HZSPNIEDSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000355417473 155003588 /nfs/dbraw/zinc/00/35/88/155003588.db2.gz YUCSVROXTFVDRS-MJBXVCDLSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000355780453 155085268 /nfs/dbraw/zinc/08/52/68/155085268.db2.gz WEZAELWWLVXGKK-SMDDNHRTSA-N 0 3 262.328 2.602 20 30 CFEDHN COC(C)(C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358569256 155805200 /nfs/dbraw/zinc/80/52/00/155805200.db2.gz LWFRYXTXDIZOIS-SNVBAGLBSA-N 0 3 250.317 2.773 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(C#N)s1)N1CCCC[C@@H]1C ZINC000362956540 156126672 /nfs/dbraw/zinc/12/66/72/156126672.db2.gz ACJFYBTVEZIUPB-NWDGAFQWSA-N 0 3 291.420 2.612 20 30 CFEDHN C[C@H](NCCCO)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364965179 156225772 /nfs/dbraw/zinc/22/57/72/156225772.db2.gz SQKSOFWEWBMPOZ-NSHDSACASA-N 0 3 287.388 2.715 20 30 CFEDHN N#Cc1ccc(OCCN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000374208423 157082222 /nfs/dbraw/zinc/08/22/22/157082222.db2.gz LRACEDQPEHQPNR-UHFFFAOYSA-N 0 3 296.374 2.540 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](OC)CC2)cc1C#N ZINC000374678022 157148987 /nfs/dbraw/zinc/14/89/87/157148987.db2.gz JCTDBJMOWLXLAH-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1ccc(C#N)s1 ZINC000375024236 157185350 /nfs/dbraw/zinc/18/53/50/157185350.db2.gz WQNISYGPADUSGY-BHYNMZESSA-N 0 3 262.378 2.838 20 30 CFEDHN CO[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000375457422 157246610 /nfs/dbraw/zinc/24/66/10/157246610.db2.gz JQJQLWRMIFMXCI-AWEZNQCLSA-N 0 3 262.328 2.698 20 30 CFEDHN CCOC1CC2(C1)CCN(Cc1ccc(C#N)cc1)C2 ZINC000375763555 157280987 /nfs/dbraw/zinc/28/09/87/157280987.db2.gz NCPLXFALLILQHG-UHFFFAOYSA-N 0 3 270.376 2.949 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2CC(C)(C)C2)CC1 ZINC000660598403 413423982 /nfs/dbraw/zinc/42/39/82/413423982.db2.gz YJJINFOCLCEZFD-UHFFFAOYSA-N 0 3 279.428 2.515 20 30 CFEDHN CC[C@H](C)[C@](C)(O)CNCc1ccc(C#N)s1 ZINC000344393060 162032571 /nfs/dbraw/zinc/03/25/71/162032571.db2.gz WHVSXCFINRTREV-GXFFZTMASA-N 0 3 252.383 2.506 20 30 CFEDHN COC1CCC(CNCc2ccc(C#N)cc2F)CC1 ZINC000344605278 162077944 /nfs/dbraw/zinc/07/79/44/162077944.db2.gz ROGUOHAZOPJFSB-UHFFFAOYSA-N 0 3 276.355 2.992 20 30 CFEDHN CC[C@H](COC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346145234 162332413 /nfs/dbraw/zinc/33/24/13/162332413.db2.gz UWAKJRMQDIWFLH-GXFFZTMASA-N 0 3 250.317 2.773 20 30 CFEDHN C[C@@H](NC[C@](C)(O)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346161712 162334852 /nfs/dbraw/zinc/33/48/52/162334852.db2.gz CDLDGZJFIPOOMO-BMIGLBTASA-N 0 3 262.328 2.509 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000346202298 162350918 /nfs/dbraw/zinc/35/09/18/162350918.db2.gz YFQIXUWNIATLNE-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN C[C@@H](CCCO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352821999 163243797 /nfs/dbraw/zinc/24/37/97/163243797.db2.gz CCIMWDSCHPBBEL-JTQLQIEISA-N 0 3 286.297 2.828 20 30 CFEDHN CCC[C@@H](O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352842261 163249870 /nfs/dbraw/zinc/24/98/70/163249870.db2.gz UTGDMNWNKKFOQR-GFCCVEGCSA-N 0 3 286.297 2.828 20 30 CFEDHN CC(C)(C)[C@@H]1OCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352847529 163250962 /nfs/dbraw/zinc/25/09/62/163250962.db2.gz UQVWOFOAAZTZCF-SMDDNHRTSA-N 0 3 293.436 2.946 20 30 CFEDHN C[C@@H]1CCCN(C(C)(C)CNCc2nc(C#N)cs2)C1 ZINC000352844842 163251489 /nfs/dbraw/zinc/25/14/89/163251489.db2.gz HBWQMZWOTQWYLO-GFCCVEGCSA-N 0 3 292.452 2.615 20 30 CFEDHN CCC[C@@]1(NCc2cc(C#N)cs2)CCOC1 ZINC000353038813 163294728 /nfs/dbraw/zinc/29/47/28/163294728.db2.gz NYICWYPFCYGHBD-CYBMUJFWSA-N 0 3 250.367 2.669 20 30 CFEDHN C[C@H](N[C@@H](CO)C1CCCC1)c1ccc(C#N)cc1F ZINC000353499709 163377934 /nfs/dbraw/zinc/37/79/34/163377934.db2.gz WXXODLDCNCQKBU-ZBEGNZNMSA-N 0 3 276.355 2.899 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284350381 196035680 /nfs/dbraw/zinc/03/56/80/196035680.db2.gz CTSUGSDNGXJHGB-CVEARBPZSA-N 0 3 286.375 2.710 20 30 CFEDHN C=CCCCC(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000284508719 196073396 /nfs/dbraw/zinc/07/33/96/196073396.db2.gz VZPQUTHHQJNLBU-MRXNPFEDSA-N 0 3 290.407 2.770 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](COC)c1ccc(OCC)cc1 ZINC000284822703 196137916 /nfs/dbraw/zinc/13/79/16/196137916.db2.gz RDJRQJPWYDHASB-NVXWUHKLSA-N 0 3 293.407 2.690 20 30 CFEDHN N#Cc1cccc(OCCN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284879416 196149459 /nfs/dbraw/zinc/14/94/59/196149459.db2.gz SXIZUKVBZBURFU-IAGOWNOFSA-N 0 3 286.375 2.580 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cccc(F)c1OC(F)F ZINC000660722807 413516493 /nfs/dbraw/zinc/51/64/93/413516493.db2.gz QDWGGCYENNIHGU-NEPJUHHUSA-N 0 3 287.281 2.860 20 30 CFEDHN C=CCCn1cc(CNCCc2cc(C)cc(C)c2)nn1 ZINC000657373327 413516873 /nfs/dbraw/zinc/51/68/73/413516873.db2.gz SSLGSYMWFUPWJG-UHFFFAOYSA-N 0 3 284.407 2.803 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2(CC(C)C)CC2)CC1 ZINC000664018860 413518685 /nfs/dbraw/zinc/51/86/85/413518685.db2.gz FBQLJNPJTACBMS-UHFFFAOYSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)C[C@H](C)CC)nn1 ZINC000657378433 413526287 /nfs/dbraw/zinc/52/62/87/413526287.db2.gz WIAOMNLRAFVKQF-CHWSQXEVSA-N 0 3 250.390 2.769 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@@H](O)c2ccccc2)c1 ZINC000035186771 172041603 /nfs/dbraw/zinc/04/16/03/172041603.db2.gz KQRKYHARNJMJDY-MRXNPFEDSA-N 0 3 270.307 2.521 20 30 CFEDHN COc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)ccc1C#N ZINC000285059640 196188390 /nfs/dbraw/zinc/18/83/90/196188390.db2.gz LOHHZWPQSATENV-HZPDHXFCSA-N 0 3 286.375 2.710 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)NCCCC ZINC000285073589 196191300 /nfs/dbraw/zinc/19/13/00/196191300.db2.gz KFROSXYMRDTYDK-DOTOQJQBSA-N 0 3 286.419 2.515 20 30 CFEDHN Cc1cccc(CCCNCc2ccc(C#N)o2)n1 ZINC000285395530 196270770 /nfs/dbraw/zinc/27/07/70/196270770.db2.gz CFVCJHDXGGRSHD-UHFFFAOYSA-N 0 3 255.321 2.577 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2ncccc2N(C)C)C1 ZINC000651813297 413655655 /nfs/dbraw/zinc/65/56/55/413655655.db2.gz DVACHBYUWWLDGA-KBPBESRZSA-N 0 3 259.397 2.982 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000660835045 413605311 /nfs/dbraw/zinc/60/53/11/413605311.db2.gz CQDRGPDGBZRZEJ-ILXRZTDVSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CNC2CCC3(CC3)CC2)nn1 ZINC000657449691 413621832 /nfs/dbraw/zinc/62/18/32/413621832.db2.gz AAFUEJKVEIZXNG-UHFFFAOYSA-N 0 3 260.385 2.667 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCN(CCC)C1 ZINC000660990251 413698956 /nfs/dbraw/zinc/69/89/56/413698956.db2.gz FOPOWTDXVWWABK-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nccnc1OC ZINC000657529297 413714396 /nfs/dbraw/zinc/71/43/96/413714396.db2.gz BRNJHNXORZGGCO-QWHCGFSZSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000664368489 413714809 /nfs/dbraw/zinc/71/48/09/413714809.db2.gz SPLQFXIZDQNYHD-OLZOCXBDSA-N 0 3 279.428 2.656 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@H](OCC)C2)cc1OC ZINC000657611113 413793327 /nfs/dbraw/zinc/79/33/27/413793327.db2.gz WBLDVBKMFCHSCC-SHTZXODSSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCC1(NCc2nc3c(s2)CCC3)CCOCC1 ZINC000657632890 413810227 /nfs/dbraw/zinc/81/02/27/413810227.db2.gz BARQUNNIWBPIJW-UHFFFAOYSA-N 0 3 278.421 2.847 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CCCC1 ZINC000664408211 413749856 /nfs/dbraw/zinc/74/98/56/413749856.db2.gz NEZLDPWDHSWDEG-HIFRSBDPSA-N 0 3 291.439 2.657 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000664409395 413750116 /nfs/dbraw/zinc/75/01/16/413750116.db2.gz VLIFVTQMYVBTSU-OCCSQVGLSA-N 0 3 279.428 2.513 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1cc(OC)no1 ZINC000661116540 413765688 /nfs/dbraw/zinc/76/56/88/413765688.db2.gz YURCKSLVHOBYNM-DGCLKSJQSA-N 0 3 250.342 2.908 20 30 CFEDHN C=CCCNCc1c(Cl)cccc1N1CCOCC1 ZINC000657582895 413768145 /nfs/dbraw/zinc/76/81/45/413768145.db2.gz LVNREGAABUSFTB-UHFFFAOYSA-N 0 3 280.799 2.842 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2cc(=O)n3ccccc3n2)C1 ZINC000652039065 413782004 /nfs/dbraw/zinc/78/20/04/413782004.db2.gz KSBYDGHYVLDEHU-KGLIPLIRSA-N 0 3 283.375 2.529 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCCC2(CCCC2)CC1 ZINC000661228607 413828627 /nfs/dbraw/zinc/82/86/27/413828627.db2.gz SCIFJBNXCPCJNS-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCCCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000654361505 413830593 /nfs/dbraw/zinc/83/05/93/413830593.db2.gz PBARPLMFCXOVLC-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CCN(CCOCC1CCCC1)[C@H](C)COC ZINC000661239299 413842807 /nfs/dbraw/zinc/84/28/07/413842807.db2.gz DXPKGKHZZPXNHE-CQSZACIVSA-N 0 3 255.402 2.716 20 30 CFEDHN C=CCN(CCOc1ccccc1OC)[C@@H](C)COC ZINC000661242528 413847984 /nfs/dbraw/zinc/84/79/84/413847984.db2.gz BVZGJSOYMZTPKN-AWEZNQCLSA-N 0 3 279.380 2.597 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000664590411 413853195 /nfs/dbraw/zinc/85/31/95/413853195.db2.gz WKBWAPBAHXSBCH-LSDHHAIUSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)NC2CCCC2)C1 ZINC000661378907 413936102 /nfs/dbraw/zinc/93/61/02/413936102.db2.gz OEJKEDWSLAVTQD-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)CC)C1 ZINC000661379173 413936608 /nfs/dbraw/zinc/93/66/08/413936608.db2.gz VJQBPGLTRUYIEQ-BFHYXJOUSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2)C1 ZINC000661378349 413938771 /nfs/dbraw/zinc/93/87/71/413938771.db2.gz DHMQVAAUJDUWQZ-NVXWUHKLSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000661380225 413940953 /nfs/dbraw/zinc/94/09/53/413940953.db2.gz LFXLSKOKOOWSKQ-UONOGXRCSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000661384450 413943061 /nfs/dbraw/zinc/94/30/61/413943061.db2.gz IZBHQOQMUOUZBG-QKPAOTATSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCCn1cc(CNC2CCC3(CC3(F)F)CC2)nn1 ZINC000657716575 413887579 /nfs/dbraw/zinc/88/75/79/413887579.db2.gz OVLWGCGHPGYKIR-UHFFFAOYSA-N 0 3 296.365 2.912 20 30 CFEDHN C=CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000664869227 413987567 /nfs/dbraw/zinc/98/75/67/413987567.db2.gz LUBVKTULLSZHQQ-HOCLYGCPSA-N 0 3 289.423 2.862 20 30 CFEDHN CCC[C@@]1(NCc2ccc(C#N)c(OC)c2)CCOC1 ZINC000285667333 196359542 /nfs/dbraw/zinc/35/95/42/196359542.db2.gz ZOSJMDPCRHDKGZ-MRXNPFEDSA-N 0 3 274.364 2.616 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](C3CCCCC3)C2)C1=O ZINC000661578325 414062203 /nfs/dbraw/zinc/06/22/03/414062203.db2.gz KRPKOSHLLOQRBR-HOTGVXAUSA-N 0 3 276.424 2.676 20 30 CFEDHN CCOC[C@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC000285708583 196373300 /nfs/dbraw/zinc/37/33/00/196373300.db2.gz DDIWDEZMQOOUNT-INIZCTEOSA-N 0 3 263.356 2.828 20 30 CFEDHN CCC[C@@]1(NCc2ccc(F)c(C#N)c2)CCOC1 ZINC000285765649 196392168 /nfs/dbraw/zinc/39/21/68/196392168.db2.gz ZUWZYFGDSCJGJD-OAHLLOKOSA-N 0 3 262.328 2.746 20 30 CFEDHN C#CCOc1ccc(Br)cc1CNCCC ZINC000037486621 173230124 /nfs/dbraw/zinc/23/01/24/173230124.db2.gz RSPQDVMTPKWOCN-UHFFFAOYSA-N 0 3 282.181 2.961 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000657952741 414072809 /nfs/dbraw/zinc/07/28/09/414072809.db2.gz LBWURHGIWGPRJZ-AWEZNQCLSA-N 0 3 280.799 2.553 20 30 CFEDHN C=CCOCCN[C@H](C)c1cncc(Br)c1 ZINC000657972469 414082486 /nfs/dbraw/zinc/08/24/86/414082486.db2.gz QNIPZMSVQBVIBF-SNVBAGLBSA-N 0 3 285.185 2.697 20 30 CFEDHN C[C@@]12COC[C@H]1CN(CC#Cc1cccc(Cl)c1)C2 ZINC000661698460 414147482 /nfs/dbraw/zinc/14/74/82/414147482.db2.gz GWCGKYFRVSEZCG-GDBMZVCRSA-N 0 3 275.779 2.660 20 30 CFEDHN C[C@]12COC[C@@H]1CN(CC#Cc1ccc(Cl)cc1)C2 ZINC000661700402 414151625 /nfs/dbraw/zinc/15/16/25/414151625.db2.gz CPAQHNRCKOLNGF-HOCLYGCPSA-N 0 3 275.779 2.660 20 30 CFEDHN C=CCCCCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000655246979 414157588 /nfs/dbraw/zinc/15/75/88/414157588.db2.gz GGGYAXAWQBCXOF-OKILXGFUSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCCCCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000655246978 414157717 /nfs/dbraw/zinc/15/77/17/414157717.db2.gz GGGYAXAWQBCXOF-KBPBESRZSA-N 0 3 252.402 2.722 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CCCN(C)C2)CCCCC1 ZINC000655132294 414111223 /nfs/dbraw/zinc/11/12/23/414111223.db2.gz GNYMNTLNZNCBGH-AWEZNQCLSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CCOCCN1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661710935 414165675 /nfs/dbraw/zinc/16/56/75/414165675.db2.gz DOEVYWHJXSEUET-QGZVFWFLSA-N 0 3 275.392 2.861 20 30 CFEDHN C=CCN(Cc1cc(=O)n2cc(C)ccc2n1)C(C)(C)C ZINC000661756270 414193138 /nfs/dbraw/zinc/19/31/38/414193138.db2.gz IGRZUGZFVDEURN-UHFFFAOYSA-N 0 3 285.391 2.789 20 30 CFEDHN C=CCN(Cc1cc(=O)n2cccc(C)c2n1)C(C)(C)C ZINC000661756423 414194041 /nfs/dbraw/zinc/19/40/41/414194041.db2.gz OMHHHURUCWELGO-UHFFFAOYSA-N 0 3 285.391 2.789 20 30 CFEDHN C=CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)C(C)(C)C ZINC000661754933 414195159 /nfs/dbraw/zinc/19/51/59/414195159.db2.gz HPKKJQRSUIAEGQ-UONOGXRCSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCN(CC(=O)NCc1ccccc1F)C(C)(C)C ZINC000661755132 414195368 /nfs/dbraw/zinc/19/53/68/414195368.db2.gz KQCFSUPEEAVOPM-UHFFFAOYSA-N 0 3 278.371 2.728 20 30 CFEDHN C=CCN(CC(=O)NC(C1CC1)C1CC1)C(C)(C)C ZINC000661760705 414200396 /nfs/dbraw/zinc/20/03/96/414200396.db2.gz XIGWLYAXXNGQEN-UHFFFAOYSA-N 0 3 264.413 2.578 20 30 CFEDHN C[C@@H](O)[C@H]1CCCN1CC#Cc1cccc(Cl)c1 ZINC000661766230 414205010 /nfs/dbraw/zinc/20/50/10/414205010.db2.gz AHIHYYYYYMKSMB-IUODEOHRSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CCOCCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000658205569 414280880 /nfs/dbraw/zinc/28/08/80/414280880.db2.gz IYUKZPCSWKTJMJ-AWEZNQCLSA-N 0 3 278.400 2.608 20 30 CFEDHN CC(=O)c1cc(NC(=O)[C@@H](N)CCCCC#N)ccc1C ZINC000655503589 414305663 /nfs/dbraw/zinc/30/56/63/414305663.db2.gz VGTBHGTVIZJUTE-HNNXBMFYSA-N 0 3 287.363 2.547 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@H]3COC[C@H]3C2)cc1 ZINC000662033475 414369610 /nfs/dbraw/zinc/36/96/10/414369610.db2.gz IIVFOVKHHPNGSM-LSDHHAIUSA-N 0 3 275.779 2.660 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCN1CCCC1 ZINC000665393260 414322928 /nfs/dbraw/zinc/32/29/28/414322928.db2.gz RFYMQFGYCWGOHG-HOTGVXAUSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@H](CO)CNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655756805 414410893 /nfs/dbraw/zinc/41/08/93/414410893.db2.gz YPYLNVGDWAROTP-INIZCTEOSA-N 0 3 299.418 2.763 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H](N)C(C)C)CCCC1 ZINC000658930719 414415463 /nfs/dbraw/zinc/41/54/63/414415463.db2.gz LPSQUKQGEDLMCM-ZDUSSCGKSA-N 0 3 252.402 2.613 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@]1(C)CO ZINC000662138057 414429114 /nfs/dbraw/zinc/42/91/14/414429114.db2.gz BRBIICITLRTIPW-CZUORRHYSA-N 0 3 277.795 2.642 20 30 CFEDHN C=CCN(C(=O)Nc1cc(C)cc(CN)c1)[C@H](C)COC ZINC000659023529 414437338 /nfs/dbraw/zinc/43/73/38/414437338.db2.gz JJJABCUBNABDFW-CYBMUJFWSA-N 0 3 291.395 2.509 20 30 CFEDHN N#CC(C(=O)c1cccc(N2CCCC2)c1)c1ccncn1 ZINC000659115477 414441950 /nfs/dbraw/zinc/44/19/50/414441950.db2.gz ZCUNUCRRTOYQSH-HNNXBMFYSA-N 0 3 292.342 2.567 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccccc1 ZINC000662082053 414401097 /nfs/dbraw/zinc/40/10/97/414401097.db2.gz XBJYQVPWRFWUFF-CALCHBBNSA-N 0 3 284.403 2.828 20 30 CFEDHN C=CCCCN(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000659270049 414485691 /nfs/dbraw/zinc/48/56/91/414485691.db2.gz SKMUMFQKSWPLLB-HNNXBMFYSA-N 0 3 258.365 2.646 20 30 CFEDHN C=CCCC1(CNC(=O)[C@@H]2CCCCN2)CCCC1 ZINC000662851567 414620940 /nfs/dbraw/zinc/62/09/40/414620940.db2.gz XPGLXMHBVPPQQW-AWEZNQCLSA-N 0 3 264.413 2.771 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662630959 414581476 /nfs/dbraw/zinc/58/14/76/414581476.db2.gz OFCLIUVBKNWTGL-GFCCVEGCSA-N 0 3 290.432 2.822 20 30 CFEDHN CCOC1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000040689437 174376404 /nfs/dbraw/zinc/37/64/04/174376404.db2.gz BXSWUGPDOIMFPV-UHFFFAOYSA-N 0 3 288.391 2.828 20 30 CFEDHN C[C@](O)(CNCc1cccc(C#N)c1)c1ccsc1 ZINC000077460288 177271691 /nfs/dbraw/zinc/27/16/91/177271691.db2.gz VDFDKPSUZSWPCP-HNNXBMFYSA-N 0 3 272.373 2.617 20 30 CFEDHN Cc1ccc([C@]2(C)CCN(C(=O)C(C)C#N)C2)cc1 ZINC000334590742 225024972 /nfs/dbraw/zinc/02/49/72/225024972.db2.gz FPMPOCMLGHMDFF-CZUORRHYSA-N 0 3 256.349 2.645 20 30 CFEDHN CC(C#N)C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000334600149 225077220 /nfs/dbraw/zinc/07/72/20/225077220.db2.gz XSYZVZJYRCVWAN-SNVBAGLBSA-N 0 3 262.740 2.501 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(-c2ccco2)cc1F ZINC000344531909 225079984 /nfs/dbraw/zinc/07/99/84/225079984.db2.gz ZOFSUKKTRWGYTJ-SNVBAGLBSA-N 0 3 272.279 2.862 20 30 CFEDHN Cc1oc2ccccc2c1CCNC(=O)C(C)C#N ZINC000344819568 225185799 /nfs/dbraw/zinc/18/57/99/225185799.db2.gz GLVUAJXONILIJI-JTQLQIEISA-N 0 3 256.305 2.560 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1F ZINC000334739425 225297295 /nfs/dbraw/zinc/29/72/95/225297295.db2.gz TXEODHLMHSUDEB-FZMZJTMJSA-N 0 3 257.312 2.869 20 30 CFEDHN Cc1ccc(Br)c(CNC(=O)C(C)C#N)c1 ZINC000334806613 225303724 /nfs/dbraw/zinc/30/37/24/225303724.db2.gz LUFQMLQFCMITBJ-SECBINFHSA-N 0 3 281.153 2.533 20 30 CFEDHN CC(C#N)C(=O)NCCc1cccc2ccccc21 ZINC000347075460 226014886 /nfs/dbraw/zinc/01/48/86/226014886.db2.gz SECYOLUSVDYLST-GFCCVEGCSA-N 0 3 252.317 2.658 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000347116365 226030669 /nfs/dbraw/zinc/03/06/69/226030669.db2.gz RWEGJHQXSBSBKW-SUNKGSAMSA-N 0 3 292.766 2.788 20 30 CFEDHN CC(C#N)C(=O)NCCCCCOC1CCCCC1 ZINC000347102750 226049645 /nfs/dbraw/zinc/04/96/45/226049645.db2.gz ICLNOQVXGGBOOQ-ZDUSSCGKSA-N 0 3 266.385 2.782 20 30 CFEDHN CC(C#N)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000347138495 226057036 /nfs/dbraw/zinc/05/70/36/226057036.db2.gz RBBRVTTUSXXSHT-JTQLQIEISA-N 0 3 264.756 2.893 20 30 CFEDHN CC(C#N)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000347138496 226057099 /nfs/dbraw/zinc/05/70/99/226057099.db2.gz RBBRVTTUSXXSHT-SNVBAGLBSA-N 0 3 264.756 2.893 20 30 CFEDHN N#CC(C(=O)c1ccc(C(F)(F)F)cc1)c1ccncn1 ZINC000354462265 227001822 /nfs/dbraw/zinc/00/18/22/227001822.db2.gz HCYYLPGMGSNTNT-NSHDSACASA-N 0 3 291.232 2.985 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000336428979 227003935 /nfs/dbraw/zinc/00/39/35/227003935.db2.gz LFRSPRXMUUBTIO-NSHDSACASA-N 0 3 292.766 2.622 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1C#N ZINC000330219280 228070418 /nfs/dbraw/zinc/07/04/18/228070418.db2.gz KAKVEGUNFHGKQN-IUIKQTSFSA-N 0 3 299.374 2.692 20 30 CFEDHN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@H](O)C12CCCC2 ZINC000330338707 228156018 /nfs/dbraw/zinc/15/60/18/228156018.db2.gz VSWNNZXYACLVTI-ILXRZTDVSA-N 0 3 294.439 2.901 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3c(c2)COC3)C1 ZINC000336231991 228218483 /nfs/dbraw/zinc/21/84/83/228218483.db2.gz SQHROCDSIULNTJ-WBMJQRKESA-N 0 3 256.349 2.889 20 30 CFEDHN C=CC[C@@H](C)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000116849535 260002121 /nfs/dbraw/zinc/00/21/21/260002121.db2.gz WVQYAWCXDOYBTH-CQSZACIVSA-N 0 3 272.392 2.977 20 30 CFEDHN CC#CCCNCc1ccc(OC)cc1Br ZINC000304532295 260016024 /nfs/dbraw/zinc/01/60/24/260016024.db2.gz IYDKMQJBVMOMSD-UHFFFAOYSA-N 0 3 282.181 2.961 20 30 CFEDHN CC[C@@H]1C[C@H](CN(CCC#N)CC2CC2)CCO1 ZINC000356993623 260122391 /nfs/dbraw/zinc/12/23/91/260122391.db2.gz NYGCNMWRFUOVIX-HUUCEWRRSA-N 0 3 250.386 2.817 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000188618888 260163215 /nfs/dbraw/zinc/16/32/15/260163215.db2.gz XQPWCANLEHWPBC-ZDUSSCGKSA-N 0 3 273.298 2.988 20 30 CFEDHN CC[C@H](COC)NC1CC(C#N)(c2ccccc2)C1 ZINC000086038498 260206918 /nfs/dbraw/zinc/20/69/18/260206918.db2.gz YQWAGETWALDZKD-QQFBHYJXSA-N 0 3 258.365 2.625 20 30 CFEDHN N#CC1(c2ccccc2)CC(NCCc2cccnc2)C1 ZINC000086037232 260206982 /nfs/dbraw/zinc/20/69/82/260206982.db2.gz LDJJTPSMGNJWMS-UHFFFAOYSA-N 0 3 277.371 2.838 20 30 CFEDHN CCCN(CCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000052922944 260212382 /nfs/dbraw/zinc/21/23/82/260212382.db2.gz BSTIOODMSIQZBZ-CQSZACIVSA-N 0 3 274.364 2.842 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(c2ccccn2)CC1 ZINC000087608421 260215354 /nfs/dbraw/zinc/21/53/54/260215354.db2.gz RFUACXOFPZSZKD-UHFFFAOYSA-N 0 3 272.396 2.534 20 30 CFEDHN C=CCN(C(=O)NC[C@H](C)N1CCCC[C@H]1C)C1CC1 ZINC000357569151 260231895 /nfs/dbraw/zinc/23/18/95/260231895.db2.gz KYMNHXTYKBUNBW-KGLIPLIRSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)cc(C)c1 ZINC000107071871 260232260 /nfs/dbraw/zinc/23/22/60/260232260.db2.gz YRBSLUPEJPCXJL-KGLIPLIRSA-N 0 3 260.381 2.645 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc(OC)cc1OC ZINC000090450938 260359668 /nfs/dbraw/zinc/35/96/68/260359668.db2.gz WYECHTRORZGVSZ-CYBMUJFWSA-N 0 3 279.380 2.947 20 30 CFEDHN C[C@H](CC#N)N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000086163085 260387043 /nfs/dbraw/zinc/38/70/43/260387043.db2.gz CSLAFURABMVJEW-GFCCVEGCSA-N 0 3 274.368 2.514 20 30 CFEDHN COc1ccccc1[C@H](NC(=O)C(C)C#N)c1ccco1 ZINC000426972344 260546900 /nfs/dbraw/zinc/54/69/00/260546900.db2.gz OCDBECGRCPLFTJ-ABAIWWIYSA-N 0 3 284.315 2.653 20 30 CFEDHN COC(=O)CCCN(CCCC#N)Cc1ccccc1 ZINC000153212015 261075322 /nfs/dbraw/zinc/07/53/22/261075322.db2.gz GCAHUDQDLGRTHA-UHFFFAOYSA-N 0 3 274.364 2.746 20 30 CFEDHN C=C(C)CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102520724 261246047 /nfs/dbraw/zinc/24/60/47/261246047.db2.gz PJVCLBFQRMEPQG-UHFFFAOYSA-N 0 3 284.363 2.887 20 30 CFEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C2(C#N)CCCC2)C1 ZINC000102490226 261267044 /nfs/dbraw/zinc/26/70/44/261267044.db2.gz SSCCPFQFKIOEIN-CQSZACIVSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](O)Cc1ccccc1 ZINC000105493522 261310880 /nfs/dbraw/zinc/31/08/80/261310880.db2.gz MUKFEDYXWZLJEW-GOSISDBHSA-N 0 3 297.398 2.945 20 30 CFEDHN C=CCOc1ccccc1CNC[C@](C)(O)C(C)C ZINC000304038900 261367489 /nfs/dbraw/zinc/36/74/89/261367489.db2.gz IFKJPANVSNCKRF-INIZCTEOSA-N 0 3 263.381 2.748 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(C)cc1-c1ccnn1C ZINC000491201039 261367875 /nfs/dbraw/zinc/36/78/75/261367875.db2.gz FEKZPCWZOXSISW-AWEZNQCLSA-N 0 3 267.376 2.849 20 30 CFEDHN C=CCOc1ccc(CNCc2ccc(C)n(C)c2=O)cc1 ZINC000487214031 261668286 /nfs/dbraw/zinc/66/82/86/261668286.db2.gz DTKOVUHWUNLZLN-UHFFFAOYSA-N 0 3 298.386 2.548 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(-n2cccn2)cc1 ZINC000180852012 261876455 /nfs/dbraw/zinc/87/64/55/261876455.db2.gz JDRFYBOXLBHKIK-CYBMUJFWSA-N 0 3 254.337 2.827 20 30 CFEDHN Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185712333 262068069 /nfs/dbraw/zinc/06/80/69/262068069.db2.gz MUOPLSPKCHWHPX-GDBMZVCRSA-N 0 3 295.390 2.748 20 30 CFEDHN CCCNC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185783009 262070696 /nfs/dbraw/zinc/07/06/96/262070696.db2.gz JRDLXRYLVFSWND-RHSMWYFYSA-N 0 3 299.418 2.998 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000368597408 262137939 /nfs/dbraw/zinc/13/79/39/262137939.db2.gz XIEVRNWKHYSNDF-NXHRZFHOSA-N 0 3 298.430 2.899 20 30 CFEDHN N#CCCCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192116251 262198415 /nfs/dbraw/zinc/19/84/15/262198415.db2.gz UTTUOFDWYLUMRM-KGLIPLIRSA-N 0 3 266.291 2.688 20 30 CFEDHN CN1C(=O)C[C@@H](NCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000192151155 262199032 /nfs/dbraw/zinc/19/90/32/262199032.db2.gz SEZNZTDVPJKPMS-HIFRSBDPSA-N 0 3 291.782 2.505 20 30 CFEDHN CC(C)(C#N)CCCCN1CCN(C2CCC2)CC1 ZINC000311300033 262225294 /nfs/dbraw/zinc/22/52/94/262225294.db2.gz NOEUILTUQHTVTQ-UHFFFAOYSA-N 0 3 263.429 2.877 20 30 CFEDHN C=CCCOCCNCc1cnn(-c2ccccc2)c1 ZINC000120866584 262238435 /nfs/dbraw/zinc/23/84/35/262238435.db2.gz KBAGSTQTFRYFMY-UHFFFAOYSA-N 0 3 271.364 2.555 20 30 CFEDHN CC#CCCN1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000364606228 262254772 /nfs/dbraw/zinc/25/47/72/262254772.db2.gz YJLFXBKWVWAQNZ-UHFFFAOYSA-N 0 3 282.391 2.631 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000111256470 262258001 /nfs/dbraw/zinc/25/80/01/262258001.db2.gz DKANDACFMLJIGC-ZDUSSCGKSA-N 0 3 290.382 2.728 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000111257165 262258528 /nfs/dbraw/zinc/25/85/28/262258528.db2.gz CXLPRDKCQVFGCT-OAHLLOKOSA-N 0 3 286.419 2.898 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000111259938 262258696 /nfs/dbraw/zinc/25/86/96/262258696.db2.gz LGTVSRVQVVLLJD-UHFFFAOYSA-N 0 3 272.392 2.543 20 30 CFEDHN C=CC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000111259954 262259214 /nfs/dbraw/zinc/25/92/14/262259214.db2.gz WRKZWWFZIHIGLW-UHFFFAOYSA-N 0 3 270.380 2.675 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000364739968 262260785 /nfs/dbraw/zinc/26/07/85/262260785.db2.gz WPFGAYOPNYBHOB-HUUCEWRRSA-N 0 3 288.391 2.540 20 30 CFEDHN CO[C@H](C)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000364999964 262266834 /nfs/dbraw/zinc/26/68/34/262266834.db2.gz PPWCKQIGDADQIQ-LOCSVTFISA-N 0 3 258.365 2.623 20 30 CFEDHN CC(C)C1(C)CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000186197627 262311476 /nfs/dbraw/zinc/31/14/76/262311476.db2.gz RTQQPGVYDHDIKJ-CQSZACIVSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCCCN1CCN(c2ccccc2C#N)CC1 ZINC000117876950 262358675 /nfs/dbraw/zinc/35/86/75/262358675.db2.gz DUWNOWCXDJBSBB-UHFFFAOYSA-N 0 3 255.365 2.646 20 30 CFEDHN CO[C@@H]1CC[C@H]2OCCN(CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000365631301 262376736 /nfs/dbraw/zinc/37/67/36/262376736.db2.gz WLLSMOKMQLQWPY-BZUAXINKSA-N 0 3 294.439 2.975 20 30 CFEDHN N#CCCCCN1CCN(CCc2cccs2)CC1 ZINC000336798360 262396793 /nfs/dbraw/zinc/39/67/93/262396793.db2.gz DRVHQEQZRNOJKX-UHFFFAOYSA-N 0 3 277.437 2.602 20 30 CFEDHN C=CCN1CC[C@H](N2CCC(CC)(CC)CC2)C1=O ZINC000337216832 262435813 /nfs/dbraw/zinc/43/58/13/262435813.db2.gz ZSLZTHBQTUFYHG-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@]1(CNC2CC(C#N)(c3ccccc3)C2)CCCO1 ZINC000094797262 262467905 /nfs/dbraw/zinc/46/79/05/262467905.db2.gz OAFGPDSLMGORTK-AQFXKWCLSA-N 0 3 270.376 2.769 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000272074812 263001891 /nfs/dbraw/zinc/00/18/91/263001891.db2.gz ZYIOXQGOEPHXCK-AWEZNQCLSA-N 0 3 297.406 2.849 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)N2CCc3ccccc32)CC1 ZINC000272562103 263006708 /nfs/dbraw/zinc/00/67/08/263006708.db2.gz LXABUASPJDWQBQ-UHFFFAOYSA-N 0 3 297.402 2.591 20 30 CFEDHN CC(=O)Nc1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000272561297 263006716 /nfs/dbraw/zinc/00/67/16/263006716.db2.gz UABQORACDIEQGT-UHFFFAOYSA-N 0 3 271.364 2.771 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000272640432 263007935 /nfs/dbraw/zinc/00/79/35/263007935.db2.gz XNRCDORSRORPGZ-UHFFFAOYSA-N 0 3 296.374 2.513 20 30 CFEDHN Cc1ccnc(NC[C@@H](c2ccccc2)N(C)C)c1C#N ZINC000273030979 263011181 /nfs/dbraw/zinc/01/11/81/263011181.db2.gz MTQLGPNFMFOXLT-INIZCTEOSA-N 0 3 280.375 2.977 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H](CCO)c2ccccc2)C1 ZINC000274250743 263022388 /nfs/dbraw/zinc/02/23/88/263022388.db2.gz YTPMDYFCDFOVRP-VNQPRFMTSA-N 0 3 258.365 2.782 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000452227795 263048577 /nfs/dbraw/zinc/04/85/77/263048577.db2.gz DNALIKXRMIXKDK-AXTSPUMRSA-N 0 3 262.275 2.724 20 30 CFEDHN CCN(C[C@@H]1COc2ccccc2O1)[C@H]1CC[C@@H](C#N)C1 ZINC000278672612 263049684 /nfs/dbraw/zinc/04/96/84/263049684.db2.gz RCRFYUHOSUZKGN-QLFBSQMISA-N 0 3 286.375 2.841 20 30 CFEDHN COc1ccc(CN(C)[C@@H]2CC[C@H](C#N)C2)cc1O ZINC000278701857 263049876 /nfs/dbraw/zinc/04/98/76/263049876.db2.gz TTWBBSAIQFRQPE-WCQYABFASA-N 0 3 260.337 2.525 20 30 CFEDHN N#CC1CCN(C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000279357216 263054814 /nfs/dbraw/zinc/05/48/14/263054814.db2.gz JYVGKKANDHQTNM-IBGZPJMESA-N 0 3 294.398 2.979 20 30 CFEDHN CO[C@@]1(C)CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000279455394 263055577 /nfs/dbraw/zinc/05/55/77/263055577.db2.gz ZSRNBGVCPHGLDC-INIZCTEOSA-N 0 3 274.364 2.590 20 30 CFEDHN C=CCCCN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280296261 263060274 /nfs/dbraw/zinc/06/02/74/263060274.db2.gz FLPLBWWGYNWUGL-INIZCTEOSA-N 0 3 281.359 2.665 20 30 CFEDHN N#CC1CCC(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000281560518 263070137 /nfs/dbraw/zinc/07/01/37/263070137.db2.gz BUYNMBVUZQQAFZ-UHFFFAOYSA-N 0 3 288.347 2.540 20 30 CFEDHN N#CC1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000282524751 263077170 /nfs/dbraw/zinc/07/71/70/263077170.db2.gz ZZKJDQRTZRBUFF-UHFFFAOYSA-N 0 3 262.328 2.951 20 30 CFEDHN Cc1cc([C@H](C)NCC2CCC(C#N)CC2)nn1C ZINC000282932602 263079897 /nfs/dbraw/zinc/07/98/97/263079897.db2.gz YLHGBKZQPXNIRB-HSBZDZAISA-N 0 3 260.385 2.709 20 30 CFEDHN COc1ncc([C@@H](C)NCCCC#N)cc1Cl ZINC000284274520 263086315 /nfs/dbraw/zinc/08/63/15/263086315.db2.gz JNMBOFKIOSQUTB-SECBINFHSA-N 0 3 253.733 2.698 20 30 CFEDHN COCCN(Cc1cccnc1)CC(C)(C)CCC#N ZINC000289454030 263110302 /nfs/dbraw/zinc/11/03/02/263110302.db2.gz NOEBUFQIJVAPEB-UHFFFAOYSA-N 0 3 275.396 2.860 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCC#N ZINC000292120317 263128593 /nfs/dbraw/zinc/12/85/93/263128593.db2.gz NAVWXWIGHWYOFP-WBVHZDCISA-N 0 3 299.418 2.707 20 30 CFEDHN CN(c1ccccc1)C1CCN(CCOCCC#N)CC1 ZINC000292848704 263135854 /nfs/dbraw/zinc/13/58/54/263135854.db2.gz QGLVDKYQINZBIJ-UHFFFAOYSA-N 0 3 287.407 2.517 20 30 CFEDHN Cc1cc(CN2CCC(C#N)CC2)ccc1N(C)C ZINC000293229895 263138638 /nfs/dbraw/zinc/13/86/38/263138638.db2.gz VYYFHDJSDSNDJV-UHFFFAOYSA-N 0 3 257.381 2.797 20 30 CFEDHN Cc1cc([C@H](NC(=O)C(C)C#N)C2CC2)ccc1F ZINC000340434010 263144964 /nfs/dbraw/zinc/14/49/64/263144964.db2.gz KXBHKXNJHILPAA-IINYFYTJSA-N 0 3 260.312 2.861 20 30 CFEDHN CC1(C)CN(CCOCCC#N)Cc2ccccc21 ZINC000293703028 263147445 /nfs/dbraw/zinc/14/74/45/263147445.db2.gz CYAUEWWQWLLHOA-UHFFFAOYSA-N 0 3 258.365 2.710 20 30 CFEDHN Cc1cc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)n[nH]1 ZINC000293805474 263149935 /nfs/dbraw/zinc/14/99/35/263149935.db2.gz NTZXUPMADVMCIL-JSGCOSHPSA-N 0 3 258.369 2.590 20 30 CFEDHN Cc1cc(C2CCN([C@H]3CC[C@H](C#N)C3)CC2)[nH]n1 ZINC000293805474 263149937 /nfs/dbraw/zinc/14/99/37/263149937.db2.gz NTZXUPMADVMCIL-JSGCOSHPSA-N 0 3 258.369 2.590 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1ccc(SCC)cc1 ZINC000353562325 263163554 /nfs/dbraw/zinc/16/35/54/263163554.db2.gz BLWOKZNANQNMKY-YPMHNXCESA-N 0 3 251.395 2.996 20 30 CFEDHN Cc1ccnc(OC2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000294772006 263167342 /nfs/dbraw/zinc/16/73/42/263167342.db2.gz ZGTMNPOTAWULPP-HUUCEWRRSA-N 0 3 285.391 2.926 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(Oc3ccc(F)nc3)CC2)C1 ZINC000294771985 263167415 /nfs/dbraw/zinc/16/74/15/263167415.db2.gz ZGSHYJBQHKTADO-CHWSQXEVSA-N 0 3 289.354 2.756 20 30 CFEDHN C=CCCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340504118 263174468 /nfs/dbraw/zinc/17/44/68/263174468.db2.gz CWMLRSDJXUQMMB-AWEZNQCLSA-N 0 3 260.316 2.589 20 30 CFEDHN C[C@H](CCC#N)N1CCN(CCc2cccs2)CC1 ZINC000297726110 263208913 /nfs/dbraw/zinc/20/89/13/263208913.db2.gz BSTAPCAGVGYRBC-CQSZACIVSA-N 0 3 277.437 2.600 20 30 CFEDHN C[C@H](CCC#N)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000298356633 263218747 /nfs/dbraw/zinc/21/87/47/263218747.db2.gz CDCONNXFNHZLNC-LYRGGWFBSA-N 0 3 293.361 2.992 20 30 CFEDHN Cc1cnccc1OC1CCN([C@@H](C)CCC#N)CC1 ZINC000298554681 263221711 /nfs/dbraw/zinc/22/17/11/263221711.db2.gz ONSOXCCUXHWGAM-AWEZNQCLSA-N 0 3 273.380 2.926 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(CC#N)c1 ZINC000299089205 263230705 /nfs/dbraw/zinc/23/07/05/263230705.db2.gz MQLYQSUWVVMHDO-CABCVRRESA-N 0 3 299.418 2.603 20 30 CFEDHN COC(=O)COc1ccc([C@H](C)N[C@@H](C)CCC#N)cc1 ZINC000299220005 263235446 /nfs/dbraw/zinc/23/54/46/263235446.db2.gz HPXMSVOZPQMSNN-STQMWFEESA-N 0 3 290.363 2.581 20 30 CFEDHN COC(=O)COc1ccc([C@@H](C)N[C@H](C)CCC#N)cc1 ZINC000299220001 263235804 /nfs/dbraw/zinc/23/58/04/263235804.db2.gz HPXMSVOZPQMSNN-CHWSQXEVSA-N 0 3 290.363 2.581 20 30 CFEDHN Oc1cccc(/C=N/[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000299268392 263236851 /nfs/dbraw/zinc/23/68/51/263236851.db2.gz KIKMLEGHYHXJHZ-YDDPGSGASA-N 0 3 296.370 2.791 20 30 CFEDHN C#CCCCCC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000119853835 263279165 /nfs/dbraw/zinc/27/91/65/263279165.db2.gz GYONSCWDHIPCSX-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000120826834 263286829 /nfs/dbraw/zinc/28/68/29/263286829.db2.gz WJNWLLZWOXUWMZ-VYDXJSESSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@H](C)c1cccs1 ZINC000121099539 263289713 /nfs/dbraw/zinc/28/97/13/263289713.db2.gz LNGSCFOTDCVYAR-GFCCVEGCSA-N 0 3 266.410 2.823 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121391939 263295767 /nfs/dbraw/zinc/29/57/67/263295767.db2.gz BKWMRGRNUPIJIK-UHFFFAOYSA-N 0 3 277.755 2.658 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)C(C)C)C(C)C ZINC000121613986 263297339 /nfs/dbraw/zinc/29/73/39/263297339.db2.gz JBKASWQKZQGFTB-OAHLLOKOSA-N 0 3 281.444 2.735 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000340853923 263308803 /nfs/dbraw/zinc/30/88/03/263308803.db2.gz UQSFAUCSSIDEKA-GRDNDAEWSA-N 0 3 296.455 2.593 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN1CCCC[C@H]1CC ZINC000341217400 263327100 /nfs/dbraw/zinc/32/71/00/263327100.db2.gz NLCMNROSGNIYKA-LSDHHAIUSA-N 0 3 281.444 2.905 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cnc(C(C)(C)C)s1 ZINC000341299234 263332333 /nfs/dbraw/zinc/33/23/33/263332333.db2.gz KSDJPPOUBSDFIM-LLVKDONJSA-N 0 3 268.426 2.715 20 30 CFEDHN CC(C)(C)C[C@H](NCC(=O)NCC#N)c1ccc(F)cc1 ZINC000341474414 263341269 /nfs/dbraw/zinc/34/12/69/263341269.db2.gz YXHFEVTZZSHLBU-AWEZNQCLSA-N 0 3 291.370 2.532 20 30 CFEDHN C=CCCCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341473660 263341389 /nfs/dbraw/zinc/34/13/89/263341389.db2.gz MVYFXQBRWONMCL-HNNXBMFYSA-N 0 3 289.423 2.772 20 30 CFEDHN C=CCCCCCN1CCC(C#N)(COC)CC1 ZINC000341990089 263382394 /nfs/dbraw/zinc/38/23/94/263382394.db2.gz LRKHWZJJVKYDCN-UHFFFAOYSA-N 0 3 250.386 2.985 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1nc2c(s1)CCCC2 ZINC000341871698 263360623 /nfs/dbraw/zinc/36/06/23/263360623.db2.gz CHOCOVOCXKAAOV-NWDGAFQWSA-N 0 3 280.437 2.857 20 30 CFEDHN C=C(CC)CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000341975725 263368648 /nfs/dbraw/zinc/36/86/48/263368648.db2.gz JZOQQZOSFKASIL-KRWDZBQOSA-N 0 3 258.409 2.811 20 30 CFEDHN CN1CCN(CCCCC#N)C[C@@H]1Cc1ccccc1 ZINC000341999906 263375144 /nfs/dbraw/zinc/37/51/44/263375144.db2.gz YRVXRRBGCGEQJU-KRWDZBQOSA-N 0 3 271.408 2.539 20 30 CFEDHN CC(C)C[C@@H]1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000342123587 263390079 /nfs/dbraw/zinc/39/00/79/263390079.db2.gz WZKVPJOYHYSTHB-HLLBOEOZSA-N 0 3 293.455 2.797 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)CC(C)(C)C1 ZINC000342336461 263422397 /nfs/dbraw/zinc/42/23/97/263422397.db2.gz JQBHJVKETJXBGX-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1CCC ZINC000424849302 263821376 /nfs/dbraw/zinc/82/13/76/263821376.db2.gz MBHTYYCHDZOWNX-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC1CCCC1 ZINC000330675634 264014443 /nfs/dbraw/zinc/01/44/43/264014443.db2.gz SLXROPBURHBMJH-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)Nc1ccc(Cl)cn1 ZINC000331110040 264126262 /nfs/dbraw/zinc/12/62/62/264126262.db2.gz IMFNVKIXVZEEAK-LLVKDONJSA-N 0 3 296.802 2.935 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000425375700 264203864 /nfs/dbraw/zinc/20/38/64/264203864.db2.gz DFPBPSWOLRLMMW-RYUDHWBXSA-N 0 3 264.344 2.955 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CCCC ZINC000343263491 264263132 /nfs/dbraw/zinc/26/31/32/264263132.db2.gz LRGXOZJTTVFFOJ-CQSZACIVSA-N 0 3 252.402 2.698 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](OC)C1CC1 ZINC000425395322 264275766 /nfs/dbraw/zinc/27/57/66/264275766.db2.gz HPGPHDFAVBTEMK-QGZVFWFLSA-N 0 3 270.376 2.971 20 30 CFEDHN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000073766877 264299195 /nfs/dbraw/zinc/29/91/95/264299195.db2.gz BYZCWICJRUVQQL-KDOFPFPSSA-N 0 3 299.418 2.950 20 30 CFEDHN C=C(C)CN(C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000425459436 264330699 /nfs/dbraw/zinc/33/06/99/264330699.db2.gz PDDPYVYXNQRUTE-OAHLLOKOSA-N 0 3 261.365 2.841 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000076736111 264342837 /nfs/dbraw/zinc/34/28/37/264342837.db2.gz RGQZOXVSHHYJEZ-AWEZNQCLSA-N 0 3 290.407 2.598 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000076734181 264344155 /nfs/dbraw/zinc/34/41/55/264344155.db2.gz GNTGFISMFHATQH-GFCCVEGCSA-N 0 3 290.363 2.640 20 30 CFEDHN C=C(C)CN1CCC(Nc2cncc(SC)n2)CC1 ZINC000132158756 264381388 /nfs/dbraw/zinc/38/13/88/264381388.db2.gz BQVURQNZGKQBMQ-UHFFFAOYSA-N 0 3 278.425 2.651 20 30 CFEDHN CCCN(CCC)Cc1cccc(C(=O)OC)c1C#N ZINC000534487626 269988362 /nfs/dbraw/zinc/98/83/62/269988362.db2.gz TWDMEVGMHVJROV-UHFFFAOYSA-N 0 3 274.364 2.967 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1nc(-c2ccccc2)c[nH]1 ZINC000345754181 265096772 /nfs/dbraw/zinc/09/67/72/265096772.db2.gz CVDOWNLGQBRTKO-AAEUAGOBSA-N 0 3 282.347 2.804 20 30 CFEDHN C=C(C)CN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000353164985 266035336 /nfs/dbraw/zinc/03/53/36/266035336.db2.gz ROHYLOMQFACMDF-UHFFFAOYSA-N 0 3 285.347 2.813 20 30 CFEDHN C=CCCC1(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)CC1 ZINC000356311092 266094029 /nfs/dbraw/zinc/09/40/29/266094029.db2.gz AKHJMYYGXAEDDC-UONOGXRCSA-N 0 3 264.413 2.578 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000356944561 266215747 /nfs/dbraw/zinc/21/57/47/266215747.db2.gz DNCATOHLFYSMHY-ZYHUDNBSSA-N 0 3 284.281 2.683 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC000357098059 266247480 /nfs/dbraw/zinc/24/74/80/266247480.db2.gz ICQPRDLQKOCBHL-NXEZZACHSA-N 0 3 284.281 2.912 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000357311132 266273360 /nfs/dbraw/zinc/27/33/60/266273360.db2.gz NZPVELOTRUBNLC-GOEBONIOSA-N 0 3 289.423 2.862 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000114494177 266307855 /nfs/dbraw/zinc/30/78/55/266307855.db2.gz PCPUJEJFGIHCEC-QGZVFWFLSA-N 0 3 289.423 2.571 20 30 CFEDHN C=CC[C@H](C)NC(=O)NC[C@H](N[C@@H](C)CC)c1ccco1 ZINC000357523035 266315738 /nfs/dbraw/zinc/31/57/38/266315738.db2.gz RXZTWCQZRZOGMS-IHRRRGAJSA-N 0 3 293.411 2.973 20 30 CFEDHN CCCN(CCC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000357643724 266338836 /nfs/dbraw/zinc/33/88/36/266338836.db2.gz BASVQNRJRGPNFE-DZGCQCFKSA-N 0 3 267.417 2.551 20 30 CFEDHN CCCN(CCC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000357643725 266338868 /nfs/dbraw/zinc/33/88/68/266338868.db2.gz BASVQNRJRGPNFE-HIFRSBDPSA-N 0 3 267.417 2.551 20 30 CFEDHN CC(C#N)C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000357807080 266369328 /nfs/dbraw/zinc/36/93/28/266369328.db2.gz PJDCWMIVKRWAGQ-OAHLLOKOSA-N 0 3 293.370 2.813 20 30 CFEDHN COc1ccc(OC)c([C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000357809254 266370024 /nfs/dbraw/zinc/37/00/24/266370024.db2.gz VYWXWHYRHPOVBM-BXUZGUMPSA-N 0 3 288.347 2.527 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1OC ZINC000357811932 266371249 /nfs/dbraw/zinc/37/12/49/266371249.db2.gz YKLCSYFVGFKBKX-DGCLKSJQSA-N 0 3 288.347 2.527 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)c(OC)c1 ZINC000357837345 266373675 /nfs/dbraw/zinc/37/36/75/266373675.db2.gz SJZXOBXPWXPUDM-RISCZKNCSA-N 0 3 288.347 2.527 20 30 CFEDHN CC(C#N)C(=O)NCCc1cccc(Cl)c1Cl ZINC000357838057 266374560 /nfs/dbraw/zinc/37/45/60/266374560.db2.gz VPYZOHBYSDYJFV-MRVPVSSYSA-N 0 3 271.147 2.812 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000359235103 266553868 /nfs/dbraw/zinc/55/38/68/266553868.db2.gz YVYQEYWIQFUQOG-KFWWJZLASA-N 0 3 281.444 2.903 20 30 CFEDHN C=CCCC1(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CC1 ZINC000361806910 266886793 /nfs/dbraw/zinc/88/67/93/266886793.db2.gz POXQKDPAANCBKN-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN C=C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000362611701 267021245 /nfs/dbraw/zinc/02/12/45/267021245.db2.gz FAAMMIDXDPVETG-UKRRQHHQSA-N 0 3 290.382 2.728 20 30 CFEDHN C[C@@H]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000358023398 267026205 /nfs/dbraw/zinc/02/62/05/267026205.db2.gz VXVCVHWLTDBUMQ-XYPHTWIQSA-N 0 3 295.386 2.793 20 30 CFEDHN C=C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000362659574 267031765 /nfs/dbraw/zinc/03/17/65/267031765.db2.gz VNBWRVRQDVJLCX-STQMWFEESA-N 0 3 293.436 2.759 20 30 CFEDHN C=CCCCCCN(C)C(=O)CC1CCN(C)CC1 ZINC000362819312 267050281 /nfs/dbraw/zinc/05/02/81/267050281.db2.gz DZRBSJLTVWGWSR-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C=CCN(Cc1ccno1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363185366 267079277 /nfs/dbraw/zinc/07/92/77/267079277.db2.gz XJFDCTCTHZYNSX-QGZVFWFLSA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCCCCCCNC(=O)N1CCN2CCC1CC2 ZINC000367896544 267125267 /nfs/dbraw/zinc/12/52/67/267125267.db2.gz OUMNRTBWXAPUJI-UHFFFAOYSA-N 0 3 279.428 2.613 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000368010427 267133951 /nfs/dbraw/zinc/13/39/51/267133951.db2.gz AUFIKJIABOQGHZ-KGLIPLIRSA-N 0 3 280.412 2.751 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@H](C)[C@H]1C ZINC000399673730 267137348 /nfs/dbraw/zinc/13/73/48/267137348.db2.gz OYSAOQOJBVRCCB-XJFOESAGSA-N 0 3 285.391 2.862 20 30 CFEDHN CC#CCCN1CCC(O)(c2ccccc2C)CC1 ZINC000368487610 267176381 /nfs/dbraw/zinc/17/63/81/267176381.db2.gz VEAAGZHIVRPKNC-UHFFFAOYSA-N 0 3 257.377 2.692 20 30 CFEDHN CC(C)(C#N)CCCCN1CCS[C@H]2COCC[C@H]21 ZINC000369001375 267216889 /nfs/dbraw/zinc/21/68/89/267216889.db2.gz LNQWHNYWXHYNEP-KGLIPLIRSA-N 0 3 282.453 2.913 20 30 CFEDHN N#CCCCCN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000369446763 267243150 /nfs/dbraw/zinc/24/31/50/267243150.db2.gz NJDDRIVPWSUTRZ-KRWDZBQOSA-N 0 3 280.375 2.982 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@@H](c2ccncn2)C1 ZINC000369995722 267281897 /nfs/dbraw/zinc/28/18/97/267281897.db2.gz BDQAQKGZHRORAS-CQSZACIVSA-N 0 3 272.396 2.986 20 30 CFEDHN C=CCN(C(=O)NC1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000370356231 267311613 /nfs/dbraw/zinc/31/16/13/267311613.db2.gz YWRBMGRCKRQDQV-KRWDZBQOSA-N 0 3 299.418 2.621 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000119280517 267314739 /nfs/dbraw/zinc/31/47/39/267314739.db2.gz VGQNNMVKEFTSCN-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCC(O)(Cc2ccccc2OC)CC1 ZINC000370726072 267342238 /nfs/dbraw/zinc/34/22/38/267342238.db2.gz YEPPBOGOXGIHKF-UHFFFAOYSA-N 0 3 275.392 2.641 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCN(CC(F)F)C2)c1 ZINC000418131366 267359742 /nfs/dbraw/zinc/35/97/42/267359742.db2.gz HWKQWHXHUQUSMQ-AWEZNQCLSA-N 0 3 296.361 2.680 20 30 CFEDHN CC#CCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000304290214 267794409 /nfs/dbraw/zinc/79/44/09/267794409.db2.gz JGFPFQGSTRIXGY-MRXNPFEDSA-N 0 3 261.340 2.594 20 30 CFEDHN C=C[C@@H](C)NCc1cc(Br)c2c(c1)OCCO2 ZINC000123204811 268014304 /nfs/dbraw/zinc/01/43/04/268014304.db2.gz GRAZSNZANICIHV-SECBINFHSA-N 0 3 298.180 2.884 20 30 CFEDHN C=C(CNC(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000377049517 268043093 /nfs/dbraw/zinc/04/30/93/268043093.db2.gz XZEBRPDVEGEARY-UHFFFAOYSA-N 0 3 299.418 2.580 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000377100856 268047550 /nfs/dbraw/zinc/04/75/50/268047550.db2.gz RAXFFPFRMQMJLM-NVXWUHKLSA-N 0 3 284.403 2.569 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H](c2ccncc2)C1 ZINC000517008400 270394598 /nfs/dbraw/zinc/39/45/98/270394598.db2.gz FOSGREFNSASDNC-QGZVFWFLSA-N 0 3 263.344 2.943 20 30 CFEDHN C[C@@H]1CCCC[C@H]1CN1CCN(c2ncccc2C#N)CC1 ZINC000346139467 274287422 /nfs/dbraw/zinc/28/74/22/274287422.db2.gz VNOOVABXHRPRLX-WBVHZDCISA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000330162512 274314376 /nfs/dbraw/zinc/31/43/76/274314376.db2.gz UNISSQCSUBQLHP-NTZNESFSSA-N 0 3 276.384 2.616 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000287800529 274344581 /nfs/dbraw/zinc/34/45/81/274344581.db2.gz JOXQHBRVMJHAKV-VXNVDRBHSA-N 0 3 282.800 2.563 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)CCN1C ZINC000090794996 274395052 /nfs/dbraw/zinc/39/50/52/274395052.db2.gz GMGYKLNOTVCNLM-KOLCDFICSA-N 0 3 298.312 2.867 20 30 CFEDHN C[C@H](C[C@H](C)O)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352827147 274496307 /nfs/dbraw/zinc/49/63/07/274496307.db2.gz XPMRBQQAWVRWNC-ZJUUUORDSA-N 0 3 286.297 2.826 20 30 CFEDHN N#Cc1ccc(CN2CCc3ccccc3[C@@H]2CN)cc1 ZINC000227722857 274922782 /nfs/dbraw/zinc/92/27/82/274922782.db2.gz QMDVMOIOPMKPQL-SFHVURJKSA-N 0 3 277.371 2.616 20 30 CFEDHN O[C@@]12CCCC[C@H]1CN(CC#Cc1ccccc1)CC2 ZINC000220387826 275056405 /nfs/dbraw/zinc/05/64/05/275056405.db2.gz YECFPGWGIHWIAU-ZWKOTPCHSA-N 0 3 269.388 2.665 20 30 CFEDHN C#CCCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000179632606 275379185 /nfs/dbraw/zinc/37/91/85/275379185.db2.gz ANATZSFACMCXJB-INIZCTEOSA-N 0 3 272.392 2.599 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@]2(CCCOC2)C1 ZINC000335788255 275388755 /nfs/dbraw/zinc/38/87/55/275388755.db2.gz WTLORLGBXRSBPG-SFHVURJKSA-N 0 3 269.388 2.931 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccccc1-n1ccnn1 ZINC000353621277 275739066 /nfs/dbraw/zinc/73/90/66/275739066.db2.gz LOOORSUTZKYDIK-AWEZNQCLSA-N 0 3 286.379 2.511 20 30 CFEDHN CC(C)(C)CC[C@@H](CO)NCc1ccc(C#N)cc1 ZINC000355726684 275813033 /nfs/dbraw/zinc/81/30/33/275813033.db2.gz IMWBQCVMURGQHS-HNNXBMFYSA-N 0 3 260.381 2.835 20 30 CFEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CO ZINC000293501151 276078907 /nfs/dbraw/zinc/07/89/07/276078907.db2.gz UKAREARNBHEGKF-LBPRGKRZSA-N 0 3 285.309 2.760 20 30 CFEDHN CCN(CC(C)C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000153709217 276088421 /nfs/dbraw/zinc/08/84/21/276088421.db2.gz WQPUUUFWWBINFZ-ZDUSSCGKSA-N 0 3 291.420 2.703 20 30 CFEDHN CCN(CC)[C@H](CNc1cc(C#N)cc(C)n1)c1ccco1 ZINC000341926493 276118792 /nfs/dbraw/zinc/11/87/92/276118792.db2.gz HTFIFUIVAZZMDY-OAHLLOKOSA-N 0 3 298.390 2.772 20 30 CFEDHN CCN1C[C@H](C)N(c2ccc(F)cc2C#N)C[C@@H]1C ZINC000345165572 276250839 /nfs/dbraw/zinc/25/08/39/276250839.db2.gz AVNRNOBHKDEVMO-RYUDHWBXSA-N 0 3 261.344 2.616 20 30 CFEDHN CCN(CC)[C@H](CNc1ccc(C#N)c(C)n1)c1ccco1 ZINC000488071380 276339915 /nfs/dbraw/zinc/33/99/15/276339915.db2.gz XMPNJCVQUROIFX-OAHLLOKOSA-N 0 3 298.390 2.772 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000374505636 276588793 /nfs/dbraw/zinc/58/87/93/276588793.db2.gz NWYZXRSNIAXKED-BBWFWOEESA-N 0 3 297.402 2.752 20 30 CFEDHN CN(C)[C@H]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000355626529 276793226 /nfs/dbraw/zinc/79/32/26/276793226.db2.gz VZHYBMCXEJVRLC-SJORKVTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288235549 277830904 /nfs/dbraw/zinc/83/09/04/277830904.db2.gz SVEQHFZJFAAEQF-HOCLYGCPSA-N 0 3 289.423 2.895 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(C2OCCO2)CC1 ZINC000118396404 278305634 /nfs/dbraw/zinc/30/56/34/278305634.db2.gz VOBOIOUYRHSWNK-CYBMUJFWSA-N 0 3 286.375 2.704 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913464 278306101 /nfs/dbraw/zinc/30/61/01/278306101.db2.gz SOYNVFOTHLUYKF-LERXQTSPSA-N 0 3 298.308 2.864 20 30 CFEDHN C[C@@H](NC[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(C#N)cc1 ZINC000276918330 278350247 /nfs/dbraw/zinc/35/02/47/278350247.db2.gz GUOKXLBQOMVMHC-DOMZBBRYSA-N 0 3 284.359 2.695 20 30 CFEDHN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1cc[nH]c(=O)c1 ZINC000340447870 278387439 /nfs/dbraw/zinc/38/74/39/278387439.db2.gz IQIAQLHUKKYQHE-BZNIZROVSA-N 0 3 279.343 2.997 20 30 CFEDHN C[C@@H]1CCC[C@H](NC(=O)CN[C@@H]2CCO[C@@H]2C2CC2)[C@@H]1C ZINC000330252251 278505203 /nfs/dbraw/zinc/50/52/03/278505203.db2.gz IGBYXKGEKOQJIS-LGKWMFPGSA-N 0 3 294.439 2.925 20 30 CFEDHN CC[C@H](N[C@@H](C)[C@H](CO)SC)c1ccc(C#N)cc1 ZINC000278799747 288060421 /nfs/dbraw/zinc/06/04/21/288060421.db2.gz RBUHYACZPKXRSC-CQDKDKBSSA-N 0 3 278.421 2.711 20 30 CFEDHN C[C@]1(NCC#Cc2ccccc2)CCO[C@@H]1C1CC1 ZINC000276920222 280167583 /nfs/dbraw/zinc/16/75/83/280167583.db2.gz HBJKSISKNLSIGM-SJORKVTESA-N 0 3 255.361 2.585 20 30 CFEDHN Cc1cc(C#N)nc(N[C@H](C)[C@H](c2ccccc2)N(C)C)n1 ZINC000287729223 280319486 /nfs/dbraw/zinc/31/94/86/280319486.db2.gz LQCCGGHOOIWDRY-CZUORRHYSA-N 0 3 295.390 2.760 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC(C(C)(C)C)CC1 ZINC000172032112 335090216 /nfs/dbraw/zinc/09/02/16/335090216.db2.gz HTYMNPCMFVTXEY-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000255399055 281097035 /nfs/dbraw/zinc/09/70/35/281097035.db2.gz YOSUOOBKMQHWNO-WHLNPGIBSA-N 0 3 297.402 2.562 20 30 CFEDHN CC[C@H]1C[C@H](CN2CCC(F)(C#N)CC2)CCO1 ZINC000348713455 281237209 /nfs/dbraw/zinc/23/72/09/281237209.db2.gz KUHJHLIUHHCEJG-OLZOCXBDSA-N 0 3 254.349 2.519 20 30 CFEDHN C[C@H](NCCC(=O)Nc1ccccn1)c1cccc(C#N)c1 ZINC000540814147 281590613 /nfs/dbraw/zinc/59/06/13/281590613.db2.gz QLGZWPSMQYOMEM-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C#N)o2)CCCCC1 ZINC000542703600 281632057 /nfs/dbraw/zinc/63/20/57/281632057.db2.gz VWCSHTBTKOYNLY-UHFFFAOYSA-N 0 3 276.336 2.507 20 30 CFEDHN CN1CCC[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000555414424 281914314 /nfs/dbraw/zinc/91/43/14/281914314.db2.gz ZUFHXPXDJRDUBR-IRXDYDNUSA-N 0 3 297.402 2.536 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000346331216 289235326 /nfs/dbraw/zinc/23/53/26/289235326.db2.gz MFKBZVREYSMNGN-NFAWXSAZSA-N 0 3 256.349 2.798 20 30 CFEDHN C[C@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H](C)C1 ZINC000452058281 290034927 /nfs/dbraw/zinc/03/49/27/290034927.db2.gz IADVHGVDBSAVLW-OQUILHJVSA-N 0 3 299.418 2.889 20 30 CFEDHN CN1CC[C@@H]2[C@H](CCCN2c2ncc(C#N)cc2Cl)C1 ZINC000269076285 290182318 /nfs/dbraw/zinc/18/23/18/290182318.db2.gz CCKRXNIZRYDUDO-TZMCWYRMSA-N 0 3 290.798 2.527 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2ccc3cc(C#N)ccc3n2)CN1C1CC1 ZINC000564568220 290215888 /nfs/dbraw/zinc/21/58/88/290215888.db2.gz PKGSMEKTIYUMNC-IUODEOHRSA-N 0 3 292.386 2.565 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N(C)CCCNC(=O)C1CCC1 ZINC000429538327 290217802 /nfs/dbraw/zinc/21/78/02/290217802.db2.gz OTYXVRHFDDKIEC-CQSZACIVSA-N 0 3 299.418 2.857 20 30 CFEDHN CCCN(CC(=O)Nc1sccc1C#N)C(C)C ZINC000566430504 290384075 /nfs/dbraw/zinc/38/40/75/290384075.db2.gz UEXIHGUPMLPHJS-UHFFFAOYSA-N 0 3 265.382 2.679 20 30 CFEDHN CC(=O)N1CC[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000567208474 290447009 /nfs/dbraw/zinc/44/70/09/290447009.db2.gz CACFXNZNCRYQKO-AEFFLSMTSA-N 0 3 297.402 2.536 20 30 CFEDHN CC[C@@]1(C(C)C)C[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000568885217 290576201 /nfs/dbraw/zinc/57/62/01/290576201.db2.gz WIUHKXVGQZKTPB-ZBFHGGJFSA-N 0 3 283.379 2.515 20 30 CFEDHN COC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000278862363 293165553 /nfs/dbraw/zinc/16/55/53/293165553.db2.gz RENZYZCVCPMLDM-RLCCDNCMSA-N 0 3 292.354 2.542 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085471383 782069711 /nfs/dbraw/zinc/06/97/11/782069711.db2.gz MTLRDJNRKMTNMM-AWEZNQCLSA-N 0 3 276.380 2.701 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085489863 782079496 /nfs/dbraw/zinc/07/94/96/782079496.db2.gz KBHAJDIMVAUNLY-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN Cn1cc(CN[C@H]2CCC[C@@H](C#N)C2)c(C(F)(F)F)n1 ZINC000185867751 327848708 /nfs/dbraw/zinc/84/87/08/327848708.db2.gz WJNXMUIUSZCDPF-KOLCDFICSA-N 0 3 286.301 2.611 20 30 CFEDHN COc1ccc([C@@H](CCO)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000185875647 327849171 /nfs/dbraw/zinc/84/91/71/327849171.db2.gz CCAMJGLZCQKWRL-YSVLISHTSA-N 0 3 288.391 2.791 20 30 CFEDHN C[C@](O)(CN[C@@H]1CCC[C@H](C#N)C1)c1cccs1 ZINC000192887700 327878543 /nfs/dbraw/zinc/87/85/43/327878543.db2.gz DAANZDCGFBWGHM-SCRDCRAPSA-N 0 3 264.394 2.628 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N1CCc2ccccc2[C@H]1CN ZINC000582120907 327879974 /nfs/dbraw/zinc/87/99/74/327879974.db2.gz YEULVHLHFLUQRA-GDBMZVCRSA-N 0 3 287.407 2.609 20 30 CFEDHN C=CCOCCN1CCC(CC(F)(F)F)CC1 ZINC000339168032 328000812 /nfs/dbraw/zinc/00/08/12/328000812.db2.gz KYEGFCXRVOBWGI-UHFFFAOYSA-N 0 3 251.292 2.853 20 30 CFEDHN C=CCCCCCN1CCO[C@H]2CCN(CC)C[C@@H]21 ZINC000339391662 328009307 /nfs/dbraw/zinc/00/93/07/328009307.db2.gz BYRVJULMMIHZOG-HOTGVXAUSA-N 0 3 266.429 2.528 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@@H]2OCC)cc1OC ZINC000571148767 328088253 /nfs/dbraw/zinc/08/82/53/328088253.db2.gz QWIJTDBRYKJJPI-HIFRSBDPSA-N 0 3 277.364 2.527 20 30 CFEDHN C[C@@H]1CC(C)(C)CN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000412042814 328102556 /nfs/dbraw/zinc/10/25/56/328102556.db2.gz NBZIPRYSZXYBIN-CQSZACIVSA-N 0 3 291.439 2.792 20 30 CFEDHN C[C@H]1[C@H](CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000412083417 328103399 /nfs/dbraw/zinc/10/33/99/328103399.db2.gz NAYQAICAEZCHDB-ZFWWWQNUSA-N 0 3 277.795 2.784 20 30 CFEDHN COCCCOc1cccc(CNCC2(CC#N)CC2)c1 ZINC000430044185 328103727 /nfs/dbraw/zinc/10/37/27/328103727.db2.gz VIWNJSYVDRKDFR-UHFFFAOYSA-N 0 3 288.391 2.885 20 30 CFEDHN C=CCN1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000171725145 329079298 /nfs/dbraw/zinc/07/92/98/329079298.db2.gz VRXHGRZVXCILKY-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](C)C2)cc1 ZINC000261394118 328137600 /nfs/dbraw/zinc/13/76/00/328137600.db2.gz QXAQQMMMKTXOOT-HOTGVXAUSA-N 0 3 299.418 2.972 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264689494 328161516 /nfs/dbraw/zinc/16/15/16/328161516.db2.gz AJDGRAADMBIESZ-QGZVFWFLSA-N 0 3 299.418 2.563 20 30 CFEDHN CC(C)CO[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000268346948 328184150 /nfs/dbraw/zinc/18/41/50/328184150.db2.gz BYABZHFKEYFWAK-KRWDZBQOSA-N 0 3 288.391 2.836 20 30 CFEDHN CN(CCC#N)C(=O)CCN1Cc2ccccc2C(C)(C)C1 ZINC000271516025 328196605 /nfs/dbraw/zinc/19/66/05/328196605.db2.gz IQGMHCSMTWFYSH-UHFFFAOYSA-N 0 3 299.418 2.542 20 30 CFEDHN C[C@@H]1COc2ccccc2CN1CCCSCC#N ZINC000272949704 328201818 /nfs/dbraw/zinc/20/18/18/328201818.db2.gz MFAOCJUHGZQJOA-CYBMUJFWSA-N 0 3 276.405 2.916 20 30 CFEDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCCC#N ZINC000272982135 328202545 /nfs/dbraw/zinc/20/25/45/328202545.db2.gz DECROEWUETYGEP-UHFFFAOYSA-N 0 3 285.347 2.528 20 30 CFEDHN CCN(CC#N)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000275512163 328215229 /nfs/dbraw/zinc/21/52/29/328215229.db2.gz NLEBEBPLBOFRPW-UHFFFAOYSA-N 0 3 299.418 2.661 20 30 CFEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCCCC#N ZINC000283637649 328244687 /nfs/dbraw/zinc/24/46/87/328244687.db2.gz CBHWGIIEICFNPF-CABCVRRESA-N 0 3 270.380 2.734 20 30 CFEDHN C[C@@H](c1ccc(F)cc1)N(C)CCOCCC#N ZINC000293415027 328275670 /nfs/dbraw/zinc/27/56/70/328275670.db2.gz IITZHJOBMRULEZ-LBPRGKRZSA-N 0 3 250.317 2.749 20 30 CFEDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C#N)C1 ZINC000294125382 328279346 /nfs/dbraw/zinc/27/93/46/328279346.db2.gz NOTWAXAGVKGSNV-KBPBESRZSA-N 0 3 273.336 2.761 20 30 CFEDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C#N)C1 ZINC000294127943 328279372 /nfs/dbraw/zinc/27/93/72/328279372.db2.gz NOTWAXAGVKGSNV-UONOGXRCSA-N 0 3 273.336 2.761 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(C)c(Br)s1 ZINC000336742318 328284931 /nfs/dbraw/zinc/28/49/31/328284931.db2.gz WTDOYLBTRHGHGY-VIFPVBQESA-N 0 3 290.226 2.846 20 30 CFEDHN Cc1noc(C)c1CCN(C)Cc1cccc(C#N)c1 ZINC000164637303 322383135 /nfs/dbraw/zinc/38/31/35/322383135.db2.gz LFZMKMHOFYHVOJ-UHFFFAOYSA-N 0 3 269.348 2.838 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc2nc(C)sc2c1 ZINC000341434353 328410075 /nfs/dbraw/zinc/41/00/75/328410075.db2.gz QDMSTSJFBIRGJF-GFCCVEGCSA-N 0 3 262.378 2.631 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc2cc(F)ccc2o1 ZINC000341269450 328406033 /nfs/dbraw/zinc/40/60/33/328406033.db2.gz CQBLOUKFEMJEKN-LLVKDONJSA-N 0 3 263.312 2.846 20 30 CFEDHN C[C@H]1C[C@@H]1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000334266103 328421317 /nfs/dbraw/zinc/42/13/17/328421317.db2.gz YTCAROWWLFNERR-UONOGXRCSA-N 0 3 255.365 2.595 20 30 CFEDHN CNCc1ccccc1NC(=O)NCC(C)(C)CCC#N ZINC000415905816 328430634 /nfs/dbraw/zinc/43/06/34/328430634.db2.gz VQADOVWVMJFSHQ-UHFFFAOYSA-N 0 3 288.395 2.857 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1)c1cccc(CO)c1 ZINC000183220529 323907672 /nfs/dbraw/zinc/90/76/72/323907672.db2.gz OXYOGUZHNQPLCC-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1ncc2c(c1C#N)CCC2 ZINC000579944992 324992345 /nfs/dbraw/zinc/99/23/45/324992345.db2.gz YKHZKRSZCNSOSS-ZDUSSCGKSA-N 0 3 284.407 2.728 20 30 CFEDHN C[C@H]1CCC[C@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580075486 325004665 /nfs/dbraw/zinc/00/46/65/325004665.db2.gz BMUYDHWZQDDBPG-STQMWFEESA-N 0 3 283.379 2.611 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000581014440 325082465 /nfs/dbraw/zinc/08/24/65/325082465.db2.gz WCFNGLPTUUTANQ-HIFRSBDPSA-N 0 3 289.335 2.514 20 30 CFEDHN CO[C@@]1(C)C[C@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000581377733 325116103 /nfs/dbraw/zinc/11/61/03/325116103.db2.gz NFHTXGUUZSLJKI-HOCLYGCPSA-N 0 3 273.380 2.589 20 30 CFEDHN CO[C@]1(C)C[C@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000581377732 325116179 /nfs/dbraw/zinc/11/61/79/325116179.db2.gz NFHTXGUUZSLJKI-GOEBONIOSA-N 0 3 273.380 2.589 20 30 CFEDHN CCS[C@H]1CCC[C@H]1NCc1ccc(C#N)cn1 ZINC000582615077 325220121 /nfs/dbraw/zinc/22/01/21/325220121.db2.gz PGUFVOLVXLNVEJ-KGLIPLIRSA-N 0 3 261.394 2.717 20 30 CFEDHN C[C@@H]1CC[C@]2(CCN(Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583500153 325292239 /nfs/dbraw/zinc/29/22/39/325292239.db2.gz OJXPNOVXEAECBW-DYVFJYSZSA-N 0 3 295.390 2.613 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@@H](c2ccncc2)C1 ZINC000584270359 325342546 /nfs/dbraw/zinc/34/25/46/325342546.db2.gz SEZXUSUSBHDPQZ-QGZVFWFLSA-N 0 3 293.370 2.822 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000320604559 328538585 /nfs/dbraw/zinc/53/85/85/328538585.db2.gz DRJCVERFNXGVFM-CHWSQXEVSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1cncc(C)n1)C(C)C ZINC000346237022 328571362 /nfs/dbraw/zinc/57/13/62/328571362.db2.gz MVZGPGOJYCVVTG-HNNXBMFYSA-N 0 3 274.412 2.896 20 30 CFEDHN CC[C@@H](C)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000087608690 330373763 /nfs/dbraw/zinc/37/37/63/330373763.db2.gz HTQZMWCLACFPGV-CQSZACIVSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC000179668486 326834613 /nfs/dbraw/zinc/83/46/13/326834613.db2.gz ZVKBMHNNRNEZMS-UHFFFAOYSA-N 0 3 290.382 2.823 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)C(C)(C)C#N)c1ccsc1 ZINC000048892160 326969438 /nfs/dbraw/zinc/96/94/38/326969438.db2.gz NAEONDGNNXQYEO-CYBMUJFWSA-N 0 3 293.436 2.797 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000255516590 326988521 /nfs/dbraw/zinc/98/85/21/326988521.db2.gz PJICFSWHIMUZQU-YVMONPNESA-N 0 3 288.366 2.606 20 30 CFEDHN N#CC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000334748594 327016074 /nfs/dbraw/zinc/01/60/74/327016074.db2.gz TZDYLHOMXKRUSG-OAHLLOKOSA-N 0 3 289.423 2.547 20 30 CFEDHN C=CCCCCCN[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000584182767 327061941 /nfs/dbraw/zinc/06/19/41/327061941.db2.gz KOQQNEDHWVRZRR-OAHLLOKOSA-N 0 3 278.371 2.558 20 30 CFEDHN Cc1ccc(OCCN(C)CCCSCC#N)cc1 ZINC000074981054 327122750 /nfs/dbraw/zinc/12/27/50/327122750.db2.gz MHLYJMMIFDDBMF-UHFFFAOYSA-N 0 3 278.421 2.953 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000076734669 327130617 /nfs/dbraw/zinc/13/06/17/327130617.db2.gz QLEKUHAAYJIWEX-CQSZACIVSA-N 0 3 277.412 2.616 20 30 CFEDHN N#CC1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000141979285 327131830 /nfs/dbraw/zinc/13/18/30/327131830.db2.gz MOKDRIHZSNVWFV-UHFFFAOYSA-N 0 3 291.782 2.904 20 30 CFEDHN CC(C)N1CCCC[C@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000569577978 327200748 /nfs/dbraw/zinc/20/07/48/327200748.db2.gz GIZYGBAMISUBEH-KRWDZBQOSA-N 0 3 299.418 2.632 20 30 CFEDHN C=CCCCN(C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000151589250 327212905 /nfs/dbraw/zinc/21/29/05/327212905.db2.gz ZTHWDQJVUCFYFZ-HNNXBMFYSA-N 0 3 288.391 2.699 20 30 CFEDHN COC(=O)c1ccc(CN(C)CCCCC#N)cc1 ZINC000102397078 327226823 /nfs/dbraw/zinc/22/68/23/327226823.db2.gz YSVQLHBMAWINAG-UHFFFAOYSA-N 0 3 260.337 2.599 20 30 CFEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000053435595 327240748 /nfs/dbraw/zinc/24/07/48/327240748.db2.gz FBJADTKXYRLVHZ-UHFFFAOYSA-N 0 3 277.412 2.546 20 30 CFEDHN COC(=O)CCC[C@@H]1CCC[C@@H](NC[C@@H](C)C#N)C1 ZINC000560496799 327315204 /nfs/dbraw/zinc/31/52/04/327315204.db2.gz KIGCWIIQKROAAP-MELADBBJSA-N 0 3 266.385 2.638 20 30 CFEDHN CC#CCCN1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000155330355 327392133 /nfs/dbraw/zinc/39/21/33/327392133.db2.gz ISZCDRXCEWZIMU-AWEZNQCLSA-N 0 3 280.412 2.637 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(-c2ccccn2)s1 ZINC000449701482 327415375 /nfs/dbraw/zinc/41/53/75/327415375.db2.gz WUVSMOHNABECEE-GFCCVEGCSA-N 0 3 289.404 2.622 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000103054077 328762235 /nfs/dbraw/zinc/76/22/35/328762235.db2.gz HTCDMPXTYZDSAP-DLBZAZTESA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CNCc1cccc(I)c1 ZINC000379362290 328804421 /nfs/dbraw/zinc/80/44/21/328804421.db2.gz DGVVSFMIZFQITA-UHFFFAOYSA-N 0 3 287.144 2.957 20 30 CFEDHN C#CCOCCNc1cc(CC)nc2ccccc21 ZINC000302156019 328830837 /nfs/dbraw/zinc/83/08/37/328830837.db2.gz MWZWKRBTBJWPFV-UHFFFAOYSA-N 0 3 254.333 2.859 20 30 CFEDHN C=C(CNCCC(C)(C)C(=O)OC)c1ccccc1 ZINC000354172801 328857371 /nfs/dbraw/zinc/85/73/71/328857371.db2.gz DHRZIHROBNMJGA-UHFFFAOYSA-N 0 3 261.365 2.879 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000377397307 329014014 /nfs/dbraw/zinc/01/40/14/329014014.db2.gz JBFNBWPZZCLGKI-LZLYRXPVSA-N 0 3 299.418 2.660 20 30 CFEDHN C#Cc1ccc(CN2CCC(c3nncn3CC)CC2)cc1 ZINC000377548724 329018425 /nfs/dbraw/zinc/01/84/25/329018425.db2.gz IIAQBWZZJRVNGC-UHFFFAOYSA-N 0 3 294.402 2.659 20 30 CFEDHN C#Cc1ccc(CNCc2ccnc(-n3ccnc3)c2)cc1 ZINC000377695485 329025201 /nfs/dbraw/zinc/02/52/01/329025201.db2.gz GKLPOLPMJWXFHL-UHFFFAOYSA-N 0 3 288.354 2.538 20 30 CFEDHN C#CCCN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000378323072 329046192 /nfs/dbraw/zinc/04/61/92/329046192.db2.gz ISEDVFLBTKKJAZ-UHFFFAOYSA-N 0 3 285.347 2.598 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C)CCC(C)C)CC1 ZINC000171695922 329078660 /nfs/dbraw/zinc/07/86/60/329078660.db2.gz GLRGTRQXULHLHX-AWEZNQCLSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000172265003 329084396 /nfs/dbraw/zinc/08/43/96/329084396.db2.gz QBHFPSUJCCAZFG-FMKPAKJESA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCCCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000175282429 329167355 /nfs/dbraw/zinc/16/73/55/329167355.db2.gz VOOHLVWWDPIDJZ-UHFFFAOYSA-N 0 3 296.480 2.821 20 30 CFEDHN FC(F)(F)c1ccc(C#CCNC2CCOCC2)cc1 ZINC000177716071 329189607 /nfs/dbraw/zinc/18/96/07/329189607.db2.gz DBTZAFDOFYASQZ-UHFFFAOYSA-N 0 3 283.293 2.826 20 30 CFEDHN C=CCOc1cccc(CN2CCCN(C3CC3)CC2)c1 ZINC000179729590 329208302 /nfs/dbraw/zinc/20/83/02/329208302.db2.gz CQMPRZZXSPKIHP-UHFFFAOYSA-N 0 3 286.419 2.922 20 30 CFEDHN C=C(Cl)CNC1CCN(c2ccccc2)CC1 ZINC000222096219 329219916 /nfs/dbraw/zinc/21/99/16/329219916.db2.gz RTKOPHKTAIZDIG-UHFFFAOYSA-N 0 3 250.773 2.998 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181677632 329235729 /nfs/dbraw/zinc/23/57/29/329235729.db2.gz UYXSBEODDMOALV-HNNXBMFYSA-N 0 3 289.423 2.724 20 30 CFEDHN C=CCCCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182518022 329242687 /nfs/dbraw/zinc/24/26/87/329242687.db2.gz DMHSERZCMOHBQA-HNNXBMFYSA-N 0 3 274.408 2.979 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000185057616 329265166 /nfs/dbraw/zinc/26/51/66/329265166.db2.gz RPZLLLDAAIMMTF-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508874784 332851806 /nfs/dbraw/zinc/85/18/06/332851806.db2.gz BGKSRXAWBIDKDR-HOCLYGCPSA-N 0 3 289.423 2.814 20 30 CFEDHN N#C[C@H]1CCC[C@@H](N[C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000185826949 329329886 /nfs/dbraw/zinc/32/98/86/329329886.db2.gz FMPWJGOCKOLMOJ-ZMSDIMECSA-N 0 3 297.402 2.854 20 30 CFEDHN N#CCCCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000186706020 329347863 /nfs/dbraw/zinc/34/78/63/329347863.db2.gz CTTASYBHUNNCKJ-MRXNPFEDSA-N 0 3 256.349 2.812 20 30 CFEDHN C=CCC1(C(=O)N[C@@H](C)CN2CCCCC2)CCC1 ZINC000188589607 329367724 /nfs/dbraw/zinc/36/77/24/329367724.db2.gz LCLBKXXFZDXRRV-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(C)(C#N)CCCCN1CCO[C@H]2CCC[C@@H]21 ZINC000232531433 329387295 /nfs/dbraw/zinc/38/72/95/329387295.db2.gz HVCHFWAMSVAXKC-KBPBESRZSA-N 0 3 250.386 2.960 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000583242963 329392700 /nfs/dbraw/zinc/39/27/00/329392700.db2.gz WZLVIRWZAHWXQV-NEPJUHHUSA-N 0 3 292.345 2.952 20 30 CFEDHN C=C(C)COc1cc(CNCC2(O)CCC2)ccc1OC ZINC000237333916 329694336 /nfs/dbraw/zinc/69/43/36/329694336.db2.gz VGORFNXVUZAPLH-UHFFFAOYSA-N 0 3 291.391 2.655 20 30 CFEDHN C=CCN1CC[C@@H](NC(C)(C)Cc2ccc(C)cc2)C1=O ZINC000419335613 329717910 /nfs/dbraw/zinc/71/79/10/329717910.db2.gz ONSWTHIQAOQZHV-MRXNPFEDSA-N 0 3 286.419 2.693 20 30 CFEDHN C=C(C)[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000420922219 329789173 /nfs/dbraw/zinc/78/91/73/329789173.db2.gz NJCOUQVPANPSEC-IFUGULHKSA-N 0 3 267.319 2.943 20 30 CFEDHN C=C[C@H](CC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000421713193 330069376 /nfs/dbraw/zinc/06/93/76/330069376.db2.gz SABZZHZDMZXEIX-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN C#CC[C@H](NC[C@@H]1CC(C(=O)OC)=C(C)O1)c1ccccc1 ZINC000272456126 330085674 /nfs/dbraw/zinc/08/56/74/330085674.db2.gz CVRKQZSINVSIMZ-RDJZCZTQSA-N 0 3 299.370 2.577 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)CC)cc1Cl ZINC000422087686 330123843 /nfs/dbraw/zinc/12/38/43/330123843.db2.gz RCFARARUEAXRNR-GFCCVEGCSA-N 0 3 269.772 2.765 20 30 CFEDHN CC(C)[C@H](NC(=O)[C@H](N)CCCC#N)c1ccccc1 ZINC000424064405 330218991 /nfs/dbraw/zinc/21/89/91/330218991.db2.gz JWPOBPPOBRTIDF-CABCVRRESA-N 0 3 273.380 2.521 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)cc1 ZINC000424072084 330220322 /nfs/dbraw/zinc/22/03/22/330220322.db2.gz WVROPRGMRXXNAR-KGLIPLIRSA-N 0 3 293.798 2.928 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000424075972 330220779 /nfs/dbraw/zinc/22/07/79/330220779.db2.gz KQRLETRBNUHNQR-CQSZACIVSA-N 0 3 271.364 2.525 20 30 CFEDHN CC(C)(C)c1ccc(CNC(=O)[C@@H](N)CCCC#N)cc1 ZINC000424082937 330222308 /nfs/dbraw/zinc/22/23/08/330222308.db2.gz MDHHPYJBEKAXCF-HNNXBMFYSA-N 0 3 287.407 2.621 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NCc1csc2ccccc12 ZINC000424081999 330223895 /nfs/dbraw/zinc/22/38/95/330223895.db2.gz AZIDEUAXTZFVDE-CYBMUJFWSA-N 0 3 287.388 2.539 20 30 CFEDHN Cc1cccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)c1 ZINC000424089030 330224410 /nfs/dbraw/zinc/22/44/10/330224410.db2.gz KLROCNVZZOZFAV-HZPDHXFCSA-N 0 3 285.391 2.680 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)NCCc1ccc2ccccc2c1 ZINC000424094902 330226511 /nfs/dbraw/zinc/22/65/11/330226511.db2.gz MITVTRWLWQPDNI-QGZVFWFLSA-N 0 3 295.386 2.520 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)c1cc(C)cc(C)c1 ZINC000424106849 330234653 /nfs/dbraw/zinc/23/46/53/330234653.db2.gz XYNSVRDHZQPASH-OAHLLOKOSA-N 0 3 273.380 2.678 20 30 CFEDHN CC(C)Oc1ccc(NC(=O)[C@@H](N)CCCC#N)c(F)c1 ZINC000424111905 330240238 /nfs/dbraw/zinc/24/02/38/330240238.db2.gz IHDKLJLQXHTHPW-ZDUSSCGKSA-N 0 3 293.342 2.573 20 30 CFEDHN CC(C)C[C@@H]1CCCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424120105 330247947 /nfs/dbraw/zinc/24/79/47/330247947.db2.gz GQUIGZRRGAFUMI-GJZGRUSLSA-N 0 3 279.428 2.825 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](N)CCCC#N)C1 ZINC000424122887 330254937 /nfs/dbraw/zinc/25/49/37/330254937.db2.gz JXMMMTPQMOSEAT-INMHGKMJSA-N 0 3 299.418 2.721 20 30 CFEDHN CCOc1cc(Cl)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424129435 330260045 /nfs/dbraw/zinc/26/00/45/330260045.db2.gz SXTUDDYGFLIZMZ-LLVKDONJSA-N 0 3 295.770 2.698 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ccncc1Cl ZINC000527703049 330275182 /nfs/dbraw/zinc/27/51/82/330275182.db2.gz IVJWLXGNTICOQT-TZMCWYRMSA-N 0 3 266.772 2.806 20 30 CFEDHN C[C@]1(CN[C@@H]2CCC[C@@H](C#N)C2)COc2ccccc2O1 ZINC000527934081 330297749 /nfs/dbraw/zinc/29/77/49/330297749.db2.gz OBNSICGTTMUOSL-CPUCHLNUSA-N 0 3 286.375 2.888 20 30 CFEDHN C=CCn1cc(CNC[C@@H](C)CCc2ccccc2)nn1 ZINC000424166359 330309311 /nfs/dbraw/zinc/30/93/11/330309311.db2.gz ARXBSXPXDSSPBT-HNNXBMFYSA-N 0 3 284.407 2.823 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(F)ccc1F ZINC000424167389 330309774 /nfs/dbraw/zinc/30/97/74/330309774.db2.gz DQGFYJZTOMAOEN-HZMBPMFUSA-N 0 3 253.292 2.646 20 30 CFEDHN CC(C)(C)c1ccc(O)c(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424171314 330311081 /nfs/dbraw/zinc/31/10/81/330311081.db2.gz CIMJNYDJUFJZLR-LBPRGKRZSA-N 0 3 289.379 2.649 20 30 CFEDHN C=CCn1cc(CN[C@H]2C[C@H](C)CC(C)(C)C2)nn1 ZINC000424169439 330311948 /nfs/dbraw/zinc/31/19/48/330311948.db2.gz ICOJKFNEFPINGL-STQMWFEESA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CNC[C@H](CC)c2ccccc2)nn1 ZINC000424173337 330313660 /nfs/dbraw/zinc/31/36/60/330313660.db2.gz PJTHCJRWHBEXEP-AWEZNQCLSA-N 0 3 270.380 2.748 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cccc1F ZINC000424177801 330317615 /nfs/dbraw/zinc/31/76/15/330317615.db2.gz UVRZNIQADUQGDU-HZMBPMFUSA-N 0 3 253.292 2.646 20 30 CFEDHN CC(F)(F)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424190790 330323072 /nfs/dbraw/zinc/32/30/72/330323072.db2.gz OZLZJLZNEUZFEP-LBPRGKRZSA-N 0 3 281.306 2.758 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@@H](C)Cc1ccsc1 ZINC000424193725 330324305 /nfs/dbraw/zinc/32/43/05/330324305.db2.gz VBHLIATXMHAMAU-GXTWGEPZSA-N 0 3 293.436 2.549 20 30 CFEDHN COc1ccc(-n2cc(CN[C@@H]3CC[C@H](C#N)C3)cn2)cc1 ZINC000424206531 330327721 /nfs/dbraw/zinc/32/77/21/330327721.db2.gz WSQOZHGRTJZTKV-DZGCQCFKSA-N 0 3 296.374 2.663 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCC[C@H]2Cc2ccccc2)nn1 ZINC000424292852 330335170 /nfs/dbraw/zinc/33/51/70/330335170.db2.gz HSHLVJVWZPQKAZ-FUHWJXTLSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCc2ccsc2)nn1 ZINC000424292823 330335259 /nfs/dbraw/zinc/33/52/59/330335259.db2.gz HOGWEHLVCKEOJH-GFCCVEGCSA-N 0 3 276.409 2.637 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@@H]2CCCC[C@H]2C)nn1 ZINC000424298419 330336571 /nfs/dbraw/zinc/33/65/71/330336571.db2.gz SGMDZBYNIJQDLH-UMVBOHGHSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@H]2CCCC[C@H]2C)nn1 ZINC000424298418 330336599 /nfs/dbraw/zinc/33/65/99/330336599.db2.gz SGMDZBYNIJQDLH-NFAWXSAZSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C2CC2)C2CCCC2)nn1 ZINC000424301019 330337877 /nfs/dbraw/zinc/33/78/77/330337877.db2.gz ZBWIYLZQQNPDAN-HNNXBMFYSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1ncc(F)cn1)C(C)C ZINC000119039756 330369412 /nfs/dbraw/zinc/36/94/12/330369412.db2.gz BUTDEOJJGWMKFA-AWEZNQCLSA-N 0 3 278.375 2.726 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000424573527 330384837 /nfs/dbraw/zinc/38/48/37/330384837.db2.gz YEYXUYDJXZMZEO-MRXNPFEDSA-N 0 3 286.419 2.979 20 30 CFEDHN C=CCC[C@@H](NCCN1CCO[C@@H](C)C1)c1ccco1 ZINC000514828132 330465337 /nfs/dbraw/zinc/46/53/37/330465337.db2.gz IEFVMTHIHNXZEJ-LSDHHAIUSA-N 0 3 278.396 2.597 20 30 CFEDHN N#CCC1(CNC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000430018547 330557451 /nfs/dbraw/zinc/55/74/51/330557451.db2.gz GBOBFJIWCWZDAD-HYXAFXHYSA-N 0 3 271.320 2.891 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000442710273 330780121 /nfs/dbraw/zinc/78/01/21/330780121.db2.gz CDOSSJXSUJXBHE-GOEBONIOSA-N 0 3 284.407 2.854 20 30 CFEDHN CCCCNC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442780846 330782534 /nfs/dbraw/zinc/78/25/34/330782534.db2.gz HDODRMPJYCKZPO-DOTOQJQBSA-N 0 3 299.418 2.998 20 30 CFEDHN COC[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000442864080 330788360 /nfs/dbraw/zinc/78/83/60/330788360.db2.gz YLDOFYNQXZRTKF-UGFHNGPFSA-N 0 3 262.328 2.795 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000448923968 330888511 /nfs/dbraw/zinc/88/85/11/330888511.db2.gz WSUAHNPSMSGOPW-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235963 330908313 /nfs/dbraw/zinc/90/83/13/330908313.db2.gz IETLYSOGZQSGSS-KOLCDFICSA-N 0 3 271.282 2.618 20 30 CFEDHN C=CCOc1ccc(CNC(COC)COC)cc1Cl ZINC000449545836 330935213 /nfs/dbraw/zinc/93/52/13/330935213.db2.gz UJGUWBZQXZMYMX-UHFFFAOYSA-N 0 3 299.798 2.656 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449546717 330935356 /nfs/dbraw/zinc/93/53/56/330935356.db2.gz DNHNTICKPZYGJW-IRHPPKKSSA-N 0 3 288.347 2.931 20 30 CFEDHN C=C(CC)CNCc1ccccc1N1CCOCC1 ZINC000449733891 330946745 /nfs/dbraw/zinc/94/67/45/330946745.db2.gz QDPCSDPSKZBFPT-UHFFFAOYSA-N 0 3 260.381 2.579 20 30 CFEDHN C=C(CC)CNCc1ccnn1-c1ccccc1OC ZINC000449737025 330947256 /nfs/dbraw/zinc/94/72/56/330947256.db2.gz XSQXJXGQMVANML-UHFFFAOYSA-N 0 3 271.364 2.937 20 30 CFEDHN N#CC1(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000450904627 331006108 /nfs/dbraw/zinc/00/61/08/331006108.db2.gz MLEJYKIUQORXBO-RBSFLKMASA-N 0 3 262.397 2.696 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCC2=CCCCC2)C1=O ZINC000450912529 331006771 /nfs/dbraw/zinc/00/67/71/331006771.db2.gz XPJYRIXHOMNSKE-HNNXBMFYSA-N 0 3 262.397 2.596 20 30 CFEDHN C=CCOCCCN1CCC(F)(c2ccccn2)CC1 ZINC000450928182 331007605 /nfs/dbraw/zinc/00/76/05/331007605.db2.gz FHYJQASWSCVUFC-UHFFFAOYSA-N 0 3 278.371 2.935 20 30 CFEDHN C=C(CC)CN1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026603 331012474 /nfs/dbraw/zinc/01/24/74/331012474.db2.gz LPVFWFRBQIECSK-AWEZNQCLSA-N 0 3 275.396 2.567 20 30 CFEDHN C[C@]1(F)CCCN(CCCC2(C#N)CCOCC2)C1 ZINC000451117358 331016316 /nfs/dbraw/zinc/01/63/16/331016316.db2.gz UXZHICHKURWYAH-AWEZNQCLSA-N 0 3 268.376 2.911 20 30 CFEDHN C=CCCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000451293303 331023523 /nfs/dbraw/zinc/02/35/23/331023523.db2.gz GWLDPRYUKVDMQM-OAHLLOKOSA-N 0 3 264.413 2.866 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)OC(C)C)cc1 ZINC000451608609 331036651 /nfs/dbraw/zinc/03/66/51/331036651.db2.gz OGCWRPMZKWIDNV-CVEARBPZSA-N 0 3 289.375 2.685 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1oc(C(C)C)nc1C ZINC000451679860 331038859 /nfs/dbraw/zinc/03/88/59/331038859.db2.gz HTNHLOUOMZZLRV-OLZOCXBDSA-N 0 3 264.369 2.930 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(CC#N)cc1 ZINC000451739192 331040745 /nfs/dbraw/zinc/04/07/45/331040745.db2.gz JDLFHYADAUFREJ-KRWDZBQOSA-N 0 3 271.408 2.669 20 30 CFEDHN CCn1cc([C@@H](C)NCc2ccc(CC#N)cc2)cn1 ZINC000451891234 331046441 /nfs/dbraw/zinc/04/64/41/331046441.db2.gz SGZQKXCQYMLYLQ-CYBMUJFWSA-N 0 3 268.364 2.820 20 30 CFEDHN C=CCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451898911 331046485 /nfs/dbraw/zinc/04/64/85/331046485.db2.gz YBQOPCWYHJTGAR-LBPRGKRZSA-N 0 3 260.164 2.977 20 30 CFEDHN CC(C)(C#N)CCCN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915405 331047237 /nfs/dbraw/zinc/04/72/37/331047237.db2.gz VKSOYCKWICQFHX-WDEREUQCSA-N 0 3 278.318 2.561 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@@H](CC(C)(C)C)C2)C1=O ZINC000452083941 331053565 /nfs/dbraw/zinc/05/35/65/331053565.db2.gz UQTJUDKEGOVPBI-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452178310 331057083 /nfs/dbraw/zinc/05/70/83/331057083.db2.gz YYLSGVCQLOALLQ-BBRMVZONSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000452411954 331064250 /nfs/dbraw/zinc/06/42/50/331064250.db2.gz SYSODLBSPYALGH-SNPRPXQTSA-N 0 3 256.349 2.846 20 30 CFEDHN CCC1(NC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000452846891 331079247 /nfs/dbraw/zinc/07/92/47/331079247.db2.gz LAMWTMQOBBICTM-CQSZACIVSA-N 0 3 256.349 2.818 20 30 CFEDHN C=CC[C@H](C)N[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453149384 331094390 /nfs/dbraw/zinc/09/43/90/331094390.db2.gz SNVZDRFTGWJMGB-HZMBPMFUSA-N 0 3 260.316 2.587 20 30 CFEDHN C=CC(C)(C)CN[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000453312145 331114951 /nfs/dbraw/zinc/11/49/51/331114951.db2.gz URVSROUVXSTPBQ-CQSZACIVSA-N 0 3 295.448 2.959 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000453340732 331119135 /nfs/dbraw/zinc/11/91/35/331119135.db2.gz CGDUJIJUZCMRPR-PEYYIBSZSA-N 0 3 278.371 2.886 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000453340754 331119150 /nfs/dbraw/zinc/11/91/50/331119150.db2.gz CJFYCNBYPARTOW-ZNMIVQPWSA-N 0 3 276.336 2.979 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000453343081 331119410 /nfs/dbraw/zinc/11/94/10/331119410.db2.gz DIHUNJYOJAPCNV-GFCCVEGCSA-N 0 3 297.420 2.716 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)ccc1OC ZINC000453356680 331121705 /nfs/dbraw/zinc/12/17/05/331121705.db2.gz MFBJFRXNJKHCLZ-CFVMTHIKSA-N 0 3 261.365 2.998 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)ccc1OC ZINC000453356682 331121736 /nfs/dbraw/zinc/12/17/36/331121736.db2.gz MFBJFRXNJKHCLZ-YUELXQCFSA-N 0 3 261.365 2.998 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000453364760 331122998 /nfs/dbraw/zinc/12/29/98/331122998.db2.gz QHCULSQFIBDHKY-XZJROXQQSA-N 0 3 274.364 2.639 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000453366489 331123438 /nfs/dbraw/zinc/12/34/38/331123438.db2.gz RXXQWDBLBGRROR-GXTWGEPZSA-N 0 3 279.428 2.924 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000453368306 331123562 /nfs/dbraw/zinc/12/35/62/331123562.db2.gz SHYIMZHFVSMVOD-BNOWGMLFSA-N 0 3 277.364 2.698 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000453380295 331125669 /nfs/dbraw/zinc/12/56/69/331125669.db2.gz WLNHRTQUDKEICO-NSHDSACASA-N 0 3 260.337 2.634 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000453380948 331125802 /nfs/dbraw/zinc/12/58/02/331125802.db2.gz ZUKUVCXYWLMGTO-UKRRQHHQSA-N 0 3 277.412 2.976 20 30 CFEDHN C=CCOc1ccc(CNC[C@H]2CC[C@@H](C)O2)cc1OC ZINC000453621992 331137030 /nfs/dbraw/zinc/13/70/30/331137030.db2.gz AIMWCJFUQPWTSZ-UKRRQHHQSA-N 0 3 291.391 2.917 20 30 CFEDHN CC(C)OCCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000163951779 331143168 /nfs/dbraw/zinc/14/31/68/331143168.db2.gz MIOIFKMDXMFJJE-ZDUSSCGKSA-N 0 3 262.353 2.665 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCCN1CCCC[C@H]1CC ZINC000454492028 331147262 /nfs/dbraw/zinc/14/72/62/331147262.db2.gz ILQLFDQWPXTKFF-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCCN1CCCC[C@@H]1CC ZINC000454492025 331147273 /nfs/dbraw/zinc/14/72/73/331147273.db2.gz ILQLFDQWPXTKFF-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(CC)CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000454487395 331147286 /nfs/dbraw/zinc/14/72/86/331147286.db2.gz LHMXVOQZKAKNGK-HNNXBMFYSA-N 0 3 289.423 2.772 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H](C2CC2)C2CCC2)CC1 ZINC000454531395 331148056 /nfs/dbraw/zinc/14/80/56/331148056.db2.gz BJBMMTHRWUXUFJ-MRXNPFEDSA-N 0 3 291.439 2.515 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000454628653 331150069 /nfs/dbraw/zinc/15/00/69/331150069.db2.gz HTYMJYMPHIVLKO-CQSZACIVSA-N 0 3 281.444 2.618 20 30 CFEDHN C=CCC1(CNC(=O)N[C@H]2CCN(C3CC3)C2)CCCC1 ZINC000454640953 331150289 /nfs/dbraw/zinc/15/02/89/331150289.db2.gz KUGREGJWUNBEPX-AWEZNQCLSA-N 0 3 291.439 2.659 20 30 CFEDHN C=CCC[C@@H](NC(=O)NC[C@H](C)N(C)C)c1ccccc1 ZINC000454697920 331151671 /nfs/dbraw/zinc/15/16/71/331151671.db2.gz KBLAZQRMNUYINY-GOEBONIOSA-N 0 3 289.423 2.943 20 30 CFEDHN C=C(C)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000454771122 331153207 /nfs/dbraw/zinc/15/32/07/331153207.db2.gz 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JJYWXMKLXGZSDX-OAHLLOKOSA-N 0 3 279.428 2.613 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cc(C)on1)C(C)C ZINC000459358024 331277951 /nfs/dbraw/zinc/27/79/51/331277951.db2.gz ASMPQCPZYNJJFS-INIZCTEOSA-N 0 3 277.412 2.771 20 30 CFEDHN COC(=O)CC1(NCC#Cc2ccc(Cl)cc2)CCC1 ZINC000459384704 331279415 /nfs/dbraw/zinc/27/94/15/331279415.db2.gz DUJOKMBDGJQAFQ-UHFFFAOYSA-N 0 3 291.778 2.767 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN[C@H]1CCC[C@@H]1C#N ZINC000459479742 331283891 /nfs/dbraw/zinc/28/38/91/331283891.db2.gz OHFFQTFJMYWYFM-OLZOCXBDSA-N 0 3 266.385 2.638 20 30 CFEDHN CC(C)(C)OC(=O)[C@]1(C)CCN(CCC(C)(C)C#N)C1 ZINC000459555544 331287703 /nfs/dbraw/zinc/28/77/03/331287703.db2.gz CXWPWISIGWBCQD-MRXNPFEDSA-N 0 3 280.412 2.980 20 30 CFEDHN CON1CCC(N(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000459578284 331288930 /nfs/dbraw/zinc/28/89/30/331288930.db2.gz IBUSUGKKYYZXAV-UHFFFAOYSA-N 0 3 292.810 2.649 20 30 CFEDHN C=CCC[C@H](CC)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459675292 331293651 /nfs/dbraw/zinc/29/36/51/331293651.db2.gz JWSSZEOKNWOTDP-NSHDSACASA-N 0 3 250.390 2.937 20 30 CFEDHN C=CCC[C@H](CC)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459675292 331293652 /nfs/dbraw/zinc/29/36/52/331293652.db2.gz JWSSZEOKNWOTDP-NSHDSACASA-N 0 3 250.390 2.937 20 30 CFEDHN COCCOc1ccc(CNCC(C)(C)CC#N)cc1 ZINC000459683553 331294201 /nfs/dbraw/zinc/29/42/01/331294201.db2.gz BCAVPAVEQIEVLW-UHFFFAOYSA-N 0 3 276.380 2.741 20 30 CFEDHN OCCC1(NCC#Cc2ccccc2)CCCCC1 ZINC000484086040 331892097 /nfs/dbraw/zinc/89/20/97/331892097.db2.gz UARVEXFHOIUTET-UHFFFAOYSA-N 0 3 257.377 2.713 20 30 CFEDHN C=CCn1cccc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000489063726 332040098 /nfs/dbraw/zinc/04/00/98/332040098.db2.gz AZKYALAASZFBMG-LSDHHAIUSA-N 0 3 289.423 2.524 20 30 CFEDHN C#CCN(CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000491182257 332162070 /nfs/dbraw/zinc/16/20/70/332162070.db2.gz ZGXKZXQLSJKPFU-UHFFFAOYSA-N 0 3 284.403 2.571 20 30 CFEDHN C#C[C@@H](N[C@@H](C)C1CCOCC1)c1ccc(F)cc1 ZINC000491275324 332178899 /nfs/dbraw/zinc/17/88/99/332178899.db2.gz CWGYVVSLNIJOIE-BLLLJJGKSA-N 0 3 261.340 2.905 20 30 CFEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCCC(C)(C)C2)CC1 ZINC000491566072 332238731 /nfs/dbraw/zinc/23/87/31/332238731.db2.gz DHIRLNFXWMORDY-OAHLLOKOSA-N 0 3 290.451 2.664 20 30 CFEDHN C#C[C@@H](C)N(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000491566199 332239019 /nfs/dbraw/zinc/23/90/19/332239019.db2.gz FAGLPEMVZZFDOB-MRXNPFEDSA-N 0 3 298.430 2.769 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000491620033 332245863 /nfs/dbraw/zinc/24/58/63/332245863.db2.gz FTMXCQUJYIZFOS-ZWKOTPCHSA-N 0 3 298.430 2.642 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000491620029 332245952 /nfs/dbraw/zinc/24/59/52/332245952.db2.gz FTMXCQUJYIZFOS-ROUUACIJSA-N 0 3 298.430 2.642 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@H](O)COc1cccc2ccccc21 ZINC000491621514 332246648 /nfs/dbraw/zinc/24/66/48/332246648.db2.gz CVXFKHWQLLVQDT-ZBFHGGJFSA-N 0 3 283.371 2.533 20 30 CFEDHN C#CCNC(=O)C1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000491651177 332264605 /nfs/dbraw/zinc/26/46/05/332264605.db2.gz DWRLAFLIQYPGGM-UHFFFAOYSA-N 0 3 296.414 2.525 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1c(C)cccc1C ZINC000491683430 332285855 /nfs/dbraw/zinc/28/58/55/332285855.db2.gz YRYIFUHGZCXONL-UHFFFAOYSA-N 0 3 289.448 2.545 20 30 CFEDHN C#C[C@H](C)N(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000491705682 332298929 /nfs/dbraw/zinc/29/89/29/332298929.db2.gz CVZXCDBHCYRUTC-YOEHRIQHSA-N 0 3 283.371 2.533 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000491761108 332331739 /nfs/dbraw/zinc/33/17/39/332331739.db2.gz UPPDPOAXSHANAO-JTQLQIEISA-N 0 3 282.746 2.761 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1cnn(C2CCCC2)c1 ZINC000491781486 332345545 /nfs/dbraw/zinc/34/55/45/332345545.db2.gz KLYBDUCRCLOJKV-OAHLLOKOSA-N 0 3 288.439 2.604 20 30 CFEDHN C#CCN(C)CCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814394 332365828 /nfs/dbraw/zinc/36/58/28/332365828.db2.gz NEACNQKERCGSAK-ZDUSSCGKSA-N 0 3 296.336 2.636 20 30 CFEDHN C#C[C@H](C)N(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000491814626 332366130 /nfs/dbraw/zinc/36/61/30/332366130.db2.gz SJYFHJWMEWYJFI-GUYCJALGSA-N 0 3 295.386 2.503 20 30 CFEDHN C[C@@]1(CO)CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000492846309 332415651 /nfs/dbraw/zinc/41/56/51/332415651.db2.gz ICQNMVZTTSOZIC-HOTGVXAUSA-N 0 3 277.795 2.832 20 30 CFEDHN C[C@@]1(CO)CCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000493606055 332446731 /nfs/dbraw/zinc/44/67/31/332446731.db2.gz OLRSCIQNOSLTAS-CVEARBPZSA-N 0 3 277.795 2.832 20 30 CFEDHN C[C@]1(CO)CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000493606058 332446768 /nfs/dbraw/zinc/44/67/68/332446768.db2.gz OLRSCIQNOSLTAS-JKSUJKDBSA-N 0 3 277.795 2.832 20 30 CFEDHN CC(C)(C)OC(=O)NCCCN1CCC(CC#N)CC1 ZINC000496139491 332540010 /nfs/dbraw/zinc/54/00/10/332540010.db2.gz IDWPSOWQMAVTTB-UHFFFAOYSA-N 0 3 281.400 2.527 20 30 CFEDHN CC#CCCN1CCC(N2CCc3ccccc32)CC1 ZINC000503441230 332689619 /nfs/dbraw/zinc/68/96/19/332689619.db2.gz OLOZJQDDDDKANC-UHFFFAOYSA-N 0 3 268.404 2.927 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001085539649 782095360 /nfs/dbraw/zinc/09/53/60/782095360.db2.gz BUCJIVMUIWSLPZ-ZDUSSCGKSA-N 0 3 286.366 2.531 20 30 CFEDHN CCOC(=O)N[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000174821410 333008088 /nfs/dbraw/zinc/00/80/88/333008088.db2.gz JHZKQSNSOZMGIW-CYBMUJFWSA-N 0 3 281.400 2.527 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC000176678073 333045629 /nfs/dbraw/zinc/04/56/29/333045629.db2.gz XOKDYZMESYQGJR-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CCC)CCCC)CC1 ZINC000177290782 333056811 /nfs/dbraw/zinc/05/68/11/333056811.db2.gz ZSVGSPXYQZAIKE-MRXNPFEDSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](CCC)CCCC)CC1 ZINC000177290793 333056841 /nfs/dbraw/zinc/05/68/41/333056841.db2.gz ZSVGSPXYQZAIKE-INIZCTEOSA-N 0 3 278.440 2.807 20 30 CFEDHN C[C@H](CCC#N)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000516978773 333088749 /nfs/dbraw/zinc/08/87/49/333088749.db2.gz IRDBNJUTWUVVBU-OCCSQVGLSA-N 0 3 260.385 2.538 20 30 CFEDHN N#CCCCNCCC(=O)Nc1ccc(Cl)cc1 ZINC000517130185 333093031 /nfs/dbraw/zinc/09/30/31/333093031.db2.gz PYRXIYCOYBIKAC-UHFFFAOYSA-N 0 3 265.744 2.562 20 30 CFEDHN C=CCN(CCOC)C[C@H]1CCC2(CCCC2)O1 ZINC000517592224 333103265 /nfs/dbraw/zinc/10/32/65/333103265.db2.gz SBPUHZFHTKONLB-CQSZACIVSA-N 0 3 253.386 2.613 20 30 CFEDHN C=CCNC(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000183902642 333123364 /nfs/dbraw/zinc/12/33/64/333123364.db2.gz WCXPHROWSQJOTL-MRXNPFEDSA-N 0 3 289.423 2.628 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCO[C@@H](C)C1 ZINC000219915246 333159250 /nfs/dbraw/zinc/15/92/50/333159250.db2.gz HUUBBDXJSWWBAN-ZFWWWQNUSA-N 0 3 261.365 2.909 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(OCCCC#N)c2)C[C@@H]1O ZINC000189334572 333190705 /nfs/dbraw/zinc/19/07/05/333190705.db2.gz PUCFBEDYQPFUNI-CVEARBPZSA-N 0 3 288.391 2.618 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(C)CCC)C(C)C ZINC000521896732 333196589 /nfs/dbraw/zinc/19/65/89/333196589.db2.gz WEXWYZWYIFKICR-OAHLLOKOSA-N 0 3 281.444 2.736 20 30 CFEDHN C[C@H](C#N)CN[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223002844 333203277 /nfs/dbraw/zinc/20/32/77/333203277.db2.gz HXZRGQCCIUJSBN-FRRDWIJNSA-N 0 3 281.400 2.572 20 30 CFEDHN C=CCN(CCc1ccccc1)Cc1cnn(C)c1 ZINC000195116473 333245772 /nfs/dbraw/zinc/24/57/72/333245772.db2.gz AJBROIULBZPLSL-UHFFFAOYSA-N 0 3 255.365 2.651 20 30 CFEDHN CC[C@@H](CC#N)NC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195224217 333248303 /nfs/dbraw/zinc/24/83/03/333248303.db2.gz YUWIVCZCMCJUJB-XJKSGUPXSA-N 0 3 295.427 2.915 20 30 CFEDHN CC(C)[C@@H](CNC[C@@H](C)C#N)CNC(=O)OC(C)(C)C ZINC000230944003 333322996 /nfs/dbraw/zinc/32/29/96/333322996.db2.gz VQIAELBQPUHECT-STQMWFEESA-N 0 3 283.416 2.533 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000523605358 333333847 /nfs/dbraw/zinc/33/38/47/333333847.db2.gz ZACAWHMISPJXNA-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000524811712 333389155 /nfs/dbraw/zinc/38/91/55/333389155.db2.gz LSALHBFZYJQJJQ-YQQAZPJKSA-N 0 3 293.455 2.941 20 30 CFEDHN CN(CCOCCC#N)Cc1cccc(Cl)c1 ZINC000338902582 335139835 /nfs/dbraw/zinc/13/98/35/335139835.db2.gz KBPMQUHXNDUVLS-UHFFFAOYSA-N 0 3 252.745 2.702 20 30 CFEDHN C=CCOc1ccc(CNCC2=CCOCC2)cc1 ZINC000397869278 333430088 /nfs/dbraw/zinc/43/00/88/333430088.db2.gz IHNXKCLRAIHXJY-UHFFFAOYSA-N 0 3 259.349 2.688 20 30 CFEDHN CCOc1ncccc1CNCC(C)(C)CCC#N ZINC000174263397 335151589 /nfs/dbraw/zinc/15/15/89/335151589.db2.gz UALHWCKSZCNPGZ-UHFFFAOYSA-N 0 3 261.369 2.900 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000543980271 333907925 /nfs/dbraw/zinc/90/79/25/333907925.db2.gz PIXIGDQQRCZYOJ-MRXNPFEDSA-N 0 3 288.439 2.960 20 30 CFEDHN C=CCOc1cccc(CNCCOCC(=C)C)c1 ZINC000134509451 334092894 /nfs/dbraw/zinc/09/28/94/334092894.db2.gz GEXRLYJXTSCUJB-UHFFFAOYSA-N 0 3 261.365 2.934 20 30 CFEDHN C=CCOc1ccc(CNCCC(=O)NC(C)(C)C)cc1 ZINC000134593858 334096503 /nfs/dbraw/zinc/09/65/03/334096503.db2.gz LGPIIRSTUPOUBK-UHFFFAOYSA-N 0 3 290.407 2.646 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134619933 334097836 /nfs/dbraw/zinc/09/78/36/334097836.db2.gz DEAQCVGXBKTDOO-NWDGAFQWSA-N 0 3 254.374 2.550 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000547665081 334107429 /nfs/dbraw/zinc/10/74/29/334107429.db2.gz KMZZGHIKYNZHPF-WBVHZDCISA-N 0 3 286.419 2.947 20 30 CFEDHN Clc1ccccc1C#CCN1CCN(CC2CC2)CC1 ZINC000134996067 334111159 /nfs/dbraw/zinc/11/11/59/334111159.db2.gz OTJVVRKGOJYZRE-UHFFFAOYSA-N 0 3 288.822 2.719 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000078324848 334131014 /nfs/dbraw/zinc/13/10/14/334131014.db2.gz PXUNVFPUSVBTHM-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN C[C@@H]1CCC[C@@H](N(C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078538896 334135654 /nfs/dbraw/zinc/13/56/54/334135654.db2.gz UDSYFPFKNUTMCN-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCOCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000548423279 334155406 /nfs/dbraw/zinc/15/54/06/334155406.db2.gz HVGBTVZKHNGTLL-LBPRGKRZSA-N 0 3 281.318 2.622 20 30 CFEDHN C=CCOCCN1CCC(Nc2cccc(OC)c2)CC1 ZINC000549862433 334207191 /nfs/dbraw/zinc/20/71/91/334207191.db2.gz QWZZRQGMJBBUAG-UHFFFAOYSA-N 0 3 290.407 2.774 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000549938880 334210020 /nfs/dbraw/zinc/21/00/20/334210020.db2.gz OZJVBHZGHXWCRQ-SOUVJXGZSA-N 0 3 289.379 2.575 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1C(C)(C)CC ZINC000246328727 334251208 /nfs/dbraw/zinc/25/12/08/334251208.db2.gz SIRSCRSRXQYPBH-CABCVRRESA-N 0 3 293.455 2.895 20 30 CFEDHN N#CCC[C@H](C#N)CNC[C@H](c1ccccc1)N1CCCC1 ZINC000551683446 334257712 /nfs/dbraw/zinc/25/77/12/334257712.db2.gz KEVKDARPYYGGQM-SJLPKXTDSA-N 0 3 296.418 2.857 20 30 CFEDHN CC[C@H](C)[C@@H](C)N(CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000246554137 334264225 /nfs/dbraw/zinc/26/42/25/334264225.db2.gz YNENPJHMNGGZQV-JJRVBVJISA-N 0 3 293.455 2.940 20 30 CFEDHN C=C(C)CCN1CCN(Cc2ccsc2)CC1 ZINC000551979299 334268609 /nfs/dbraw/zinc/26/86/09/334268609.db2.gz NRLJDYRWMQXEPE-UHFFFAOYSA-N 0 3 250.411 2.832 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000246821489 334270231 /nfs/dbraw/zinc/27/02/31/334270231.db2.gz WHMKLZUZBPXSJX-JKSUJKDBSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CCOc1cccc(CNC2(COC)CCOCC2)c1 ZINC000552296846 334314544 /nfs/dbraw/zinc/31/45/44/334314544.db2.gz SHXUSSQAZBPBER-UHFFFAOYSA-N 0 3 291.391 2.537 20 30 CFEDHN C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1CO ZINC000248949700 334322739 /nfs/dbraw/zinc/32/27/39/334322739.db2.gz PLWHCMJBSWTSKH-WFASDCNBSA-N 0 3 297.320 2.760 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCS[C@H](C)CC1 ZINC000249008686 334324680 /nfs/dbraw/zinc/32/46/80/334324680.db2.gz JIGLMBOOTQSGSF-ZIAGYGMSSA-N 0 3 284.469 2.627 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000566407414 334646535 /nfs/dbraw/zinc/64/65/35/334646535.db2.gz VABRPDKONWZBPZ-JSGCOSHPSA-N 0 3 258.365 2.505 20 30 CFEDHN C=CCOCCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000568780178 334840808 /nfs/dbraw/zinc/84/08/08/334840808.db2.gz VGALJAOPOANWKW-UHFFFAOYSA-N 0 3 296.798 2.781 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@H](c1ccccc1)C1CC1 ZINC000192509874 335269946 /nfs/dbraw/zinc/26/99/46/335269946.db2.gz DJSYLIJRBPWAGD-GOSISDBHSA-N 0 3 284.403 2.928 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000192624227 335287664 /nfs/dbraw/zinc/28/76/64/335287664.db2.gz MEMJXYFZIPAOSW-CABCVRRESA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)C1CCN(C2CC2)CC1 ZINC000192809265 335306400 /nfs/dbraw/zinc/30/64/00/335306400.db2.gz INPXYTMUQHMCJC-ZDUSSCGKSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CCC(F)(F)CC2)CC1 ZINC000179344427 335488414 /nfs/dbraw/zinc/48/84/14/335488414.db2.gz BAADRGYCOGOYBJ-UHFFFAOYSA-N 0 3 286.366 2.579 20 30 CFEDHN C[C@@H](CCc1ccc(O)cc1)NC[C@@H](C#N)CCC#N ZINC000579343610 335736087 /nfs/dbraw/zinc/73/60/87/335736087.db2.gz GGFOURMQCFVXQJ-DZGCQCFKSA-N 0 3 271.364 2.746 20 30 CFEDHN CC[C@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000182264038 335806883 /nfs/dbraw/zinc/80/68/83/335806883.db2.gz MIUVJDRXXCNNCL-HOTGVXAUSA-N 0 3 261.340 2.724 20 30 CFEDHN COc1ccccc1[C@@H](CO)NC1CCC(C)(C#N)CC1 ZINC000581924676 336168808 /nfs/dbraw/zinc/16/88/08/336168808.db2.gz UXKYKXNSZMKUTI-GNHJJJEISA-N 0 3 288.391 2.791 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001085579695 782106152 /nfs/dbraw/zinc/10/61/52/782106152.db2.gz SWIRWLPLQISSHD-CQSZACIVSA-N 0 3 289.423 2.690 20 30 CFEDHN CCCCOCCCNCc1ccc(C#N)cc1F ZINC000083478410 520758741 /nfs/dbraw/zinc/75/87/41/520758741.db2.gz SVMLOACXRHJHFL-UHFFFAOYSA-N 0 3 264.344 2.994 20 30 CFEDHN COc1cc(CN(C)C(=O)C(C)C#N)ccc1SC ZINC000347039775 533776124 /nfs/dbraw/zinc/77/61/24/533776124.db2.gz QDFVPFYVZHPYNN-JTQLQIEISA-N 0 3 278.377 2.535 20 30 CFEDHN CC(C#N)C(=O)N(CC(=O)OC(C)(C)C)c1ccccc1 ZINC000355865222 534281432 /nfs/dbraw/zinc/28/14/32/534281432.db2.gz IPNCVVUVCZFBPX-GFCCVEGCSA-N 0 3 288.347 2.521 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000347125561 534283732 /nfs/dbraw/zinc/28/37/32/534283732.db2.gz PNFPIJAEPKQRHN-QMTHXVAHSA-N 0 3 260.312 2.943 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 ZINC000347034429 534283747 /nfs/dbraw/zinc/28/37/47/534283747.db2.gz JFXBTCFTLJUTQG-ZJUUUORDSA-N 0 3 295.180 2.656 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000351528458 534283934 /nfs/dbraw/zinc/28/39/34/534283934.db2.gz DMISTELYGNZWFL-SFYZADRCSA-N 0 3 250.264 2.629 20 30 CFEDHN CC(C)[C@](C)(CO)NCC#Cc1ccc(Cl)cc1 ZINC000554975399 517481119 /nfs/dbraw/zinc/48/11/19/517481119.db2.gz IIFOPXQDPPZNNB-HNNXBMFYSA-N 0 3 265.784 2.688 20 30 CFEDHN Cc1noc(C)c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000329199818 534317937 /nfs/dbraw/zinc/31/79/37/534317937.db2.gz XCJCGEXNDVECGL-GFCCVEGCSA-N 0 3 277.368 2.613 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@H](CC)c1cccc(Cl)c1 ZINC000182589268 518283133 /nfs/dbraw/zinc/28/31/33/518283133.db2.gz BWZBUXWMOXDRAX-SMDDNHRTSA-N 0 3 278.783 2.519 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085778011 782161921 /nfs/dbraw/zinc/16/19/21/782161921.db2.gz KBNFIFKEYQQMTG-CQSZACIVSA-N 0 3 289.423 2.690 20 30 CFEDHN CC(C)N1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000336030855 519674485 /nfs/dbraw/zinc/67/44/85/519674485.db2.gz HJDGXKKEZXNBIC-OAHLLOKOSA-N 0 3 299.418 2.604 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361864779 521726924 /nfs/dbraw/zinc/72/69/24/521726924.db2.gz FEMACLIQHOMDBD-QWHCGFSZSA-N 0 3 275.371 2.612 20 30 CFEDHN CCNC(=O)c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000048713241 521747672 /nfs/dbraw/zinc/74/76/72/521747672.db2.gz CUXPGZPOVNYTIC-UHFFFAOYSA-N 0 3 293.370 2.598 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000055066342 522124255 /nfs/dbraw/zinc/12/42/55/522124255.db2.gz RQWRHIFDEHKVRV-CYBMUJFWSA-N 0 3 275.371 2.613 20 30 CFEDHN CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000361469942 522485748 /nfs/dbraw/zinc/48/57/48/522485748.db2.gz PNIWZAIJVUCWSM-INIZCTEOSA-N 0 3 299.418 2.685 20 30 CFEDHN CN(CCN1CCCC1)c1nc(C(F)(F)F)ccc1C#N ZINC000078835822 522830896 /nfs/dbraw/zinc/83/08/96/522830896.db2.gz KYAQWZTXXFZDHJ-UHFFFAOYSA-N 0 3 298.312 2.504 20 30 CFEDHN CO[C@@H]1C[C@H](NCc2cc(C#N)cs2)C1(C)C ZINC000227829731 523775184 /nfs/dbraw/zinc/77/51/84/523775184.db2.gz IFBKUQBFQMLNQC-NWDGAFQWSA-N 0 3 250.367 2.523 20 30 CFEDHN CC[C@H](C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192662770 523924680 /nfs/dbraw/zinc/92/46/80/523924680.db2.gz MNMPUTMESHMXAH-XJKSGUPXSA-N 0 3 285.391 2.784 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292083977 524471521 /nfs/dbraw/zinc/47/15/21/524471521.db2.gz DTWMHSHNUYTFFV-QGZVFWFLSA-N 0 3 293.370 2.915 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1cccnc1C#N ZINC000309860878 524576693 /nfs/dbraw/zinc/57/66/93/524576693.db2.gz DCTXERYDDWFVOP-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN C[C@H]1CN(Cc2cc(C#N)cs2)CCN(C2CC2)C1 ZINC000336222934 524612032 /nfs/dbraw/zinc/61/20/32/524612032.db2.gz WPYDZBXGUWODNG-LBPRGKRZSA-N 0 3 275.421 2.536 20 30 CFEDHN C=CCC[C@@H](NCCS(=O)(=O)CC)c1ccccc1 ZINC000269442062 534796403 /nfs/dbraw/zinc/79/64/03/534796403.db2.gz SWBXQJXAAQFTNU-OAHLLOKOSA-N 0 3 281.421 2.718 20 30 CFEDHN Cc1cc(CN2CCC(c3c[nH]cn3)CC2)ccc1C#N ZINC000336305717 524677999 /nfs/dbraw/zinc/67/79/99/524677999.db2.gz PYLFZCHWRPKFGK-UHFFFAOYSA-N 0 3 280.375 2.969 20 30 CFEDHN Cc1cc(CN2CC[C@H](c3nccn3C)C2)ccc1C#N ZINC000334951387 524708497 /nfs/dbraw/zinc/70/84/97/524708497.db2.gz NXSMTNRLUFMKLT-INIZCTEOSA-N 0 3 280.375 2.590 20 30 CFEDHN C=CCC[C@H](O)CN[C@@](C)(CC)c1nc(C)cs1 ZINC000268534727 534806427 /nfs/dbraw/zinc/80/64/27/534806427.db2.gz JLACMHCAHIZFOM-JSGCOSHPSA-N 0 3 268.426 2.993 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](C)N1C ZINC000162938250 524990293 /nfs/dbraw/zinc/99/02/93/524990293.db2.gz QAKJLBQWPVMOEC-TXEJJXNPSA-N 0 3 277.799 2.736 20 30 CFEDHN Cc1ccc(NC(=O)c2ccnc(C#N)c2)c(CN(C)C)c1 ZINC000193264015 525249803 /nfs/dbraw/zinc/24/98/03/525249803.db2.gz JYPRJLNHALOJNO-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2n[nH]cc2c1 ZINC000353102947 525430442 /nfs/dbraw/zinc/43/04/42/525430442.db2.gz QCWIHDYSSSFOSV-NSHDSACASA-N 0 3 279.347 2.624 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)o1)[C@H]1COc2ccccc21 ZINC000169148642 525518313 /nfs/dbraw/zinc/51/83/13/525518313.db2.gz FKZBXTTTWABVDP-IAQYHMDHSA-N 0 3 268.316 2.806 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000300415535 525578286 /nfs/dbraw/zinc/57/82/86/525578286.db2.gz VVRIWGBHAVKQTR-XZJROXQQSA-N 0 3 256.349 2.776 20 30 CFEDHN C[C@H](N[C@H]1CCc2c[nH]nc2C1)c1ccc(C#N)s1 ZINC000362033576 525632063 /nfs/dbraw/zinc/63/20/63/525632063.db2.gz UUJSUTUAFCBZHF-ONGXEEELSA-N 0 3 272.377 2.551 20 30 CFEDHN C[C@@H](N[C@@H]1CCCOCC1)c1ccc(C#N)cc1F ZINC000336252220 525635589 /nfs/dbraw/zinc/63/55/89/525635589.db2.gz ICDXUAXSYIGANR-DGCLKSJQSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000361840719 525861962 /nfs/dbraw/zinc/86/19/62/525861962.db2.gz XALUWLKRIWMWRT-XHBSWPGZSA-N 0 3 276.355 2.679 20 30 CFEDHN C[C@@H]1CC(CCNCc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000338475268 526227065 /nfs/dbraw/zinc/22/70/65/526227065.db2.gz VJGASJNORHBIKD-VXGBXAGGSA-N 0 3 262.353 2.835 20 30 CFEDHN CC#CCCNCc1ccnn1-c1ccc(F)cc1 ZINC000354635523 526338978 /nfs/dbraw/zinc/33/89/78/526338978.db2.gz RKGZEWRLNKTPHW-UHFFFAOYSA-N 0 3 257.312 2.514 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000343761079 526423669 /nfs/dbraw/zinc/42/36/69/526423669.db2.gz DAOTWPMBOCOQQW-HNNXBMFYSA-N 0 3 291.439 2.635 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000351911890 526443926 /nfs/dbraw/zinc/44/39/26/526443926.db2.gz SPEOVBCFNTWIJC-UHFFFAOYSA-N 0 3 290.382 2.940 20 30 CFEDHN C=C(C)CN(CCCCC#N)Cc1ccc(CO)o1 ZINC000352815771 526551724 /nfs/dbraw/zinc/55/17/24/526551724.db2.gz NKBLSFFJSGKSSB-UHFFFAOYSA-N 0 3 262.353 2.844 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCOC1 ZINC000352792987 526559913 /nfs/dbraw/zinc/55/99/13/526559913.db2.gz OGSYXXPLSNNCSM-CQSZACIVSA-N 0 3 279.380 2.577 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)cc1F ZINC000336085716 526612382 /nfs/dbraw/zinc/61/23/82/526612382.db2.gz MORDWUJQMCUGSA-CVEARBPZSA-N 0 3 288.366 2.946 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1c(C)cccc1C ZINC000354533449 526626040 /nfs/dbraw/zinc/62/60/40/526626040.db2.gz DHMHBFSJPWKJOU-UONOGXRCSA-N 0 3 260.381 2.645 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H](O)C(F)F ZINC000360661684 526690817 /nfs/dbraw/zinc/69/08/17/526690817.db2.gz BCJVUMYPWLSNLY-KBPBESRZSA-N 0 3 280.318 2.541 20 30 CFEDHN N#Cc1ccc2ncc(CN[C@@H]3CCCC(F)(F)C3)n2c1 ZINC000334831938 526693321 /nfs/dbraw/zinc/69/33/21/526693321.db2.gz AYUJYMFPTBBNEW-GFCCVEGCSA-N 0 3 290.317 2.873 20 30 CFEDHN C=CCSCCNCc1ccc(NC(C)=O)cc1 ZINC000105462519 527003088 /nfs/dbraw/zinc/00/30/88/527003088.db2.gz HMJKSIBTCFRFOJ-UHFFFAOYSA-N 0 3 264.394 2.654 20 30 CFEDHN C=CC[C@@H](CC)N[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000354782553 527054773 /nfs/dbraw/zinc/05/47/73/527054773.db2.gz ILHZPDYGKGVFBZ-KGLIPLIRSA-N 0 3 293.411 2.847 20 30 CFEDHN C#CCOc1ccc(CNCCc2c(C)noc2C)cc1 ZINC000113339552 527105420 /nfs/dbraw/zinc/10/54/20/527105420.db2.gz IWEKMTINFZEFOK-UHFFFAOYSA-N 0 3 284.359 2.636 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)N(CC)CC ZINC000351913469 527130252 /nfs/dbraw/zinc/13/02/52/527130252.db2.gz SOHXYUKQJXLJPJ-AWEZNQCLSA-N 0 3 254.418 2.922 20 30 CFEDHN C=CCCCCNCc1cc(C(=O)OCC)co1 ZINC000354644188 527168069 /nfs/dbraw/zinc/16/80/69/527168069.db2.gz GKKRYXWBCJHMAN-UHFFFAOYSA-N 0 3 251.326 2.902 20 30 CFEDHN C=CCCCN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000344594079 527198485 /nfs/dbraw/zinc/19/84/85/527198485.db2.gz FLRDNMSDCSMFIK-UHFFFAOYSA-N 0 3 292.398 2.918 20 30 CFEDHN Cn1cc(CN2CC[C@H]2Cc2ccccc2)cc1C#N ZINC000361571354 527205227 /nfs/dbraw/zinc/20/52/27/527205227.db2.gz KFOJGISJBKNOMI-INIZCTEOSA-N 0 3 265.360 2.714 20 30 CFEDHN Cn1cc(CN[C@@H]2CCCC(F)(F)C2)cc1C#N ZINC000336081753 527219989 /nfs/dbraw/zinc/21/99/89/527219989.db2.gz AHVOGLOKQOWJRX-LLVKDONJSA-N 0 3 253.296 2.564 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)NCc1cnnn1CC ZINC000418100271 527221427 /nfs/dbraw/zinc/22/14/27/527221427.db2.gz OJDAMPGYWREYLO-OAHLLOKOSA-N 0 3 270.380 2.575 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000417971602 527290979 /nfs/dbraw/zinc/29/09/79/527290979.db2.gz ANIJVINVKIVBRB-ZDUSSCGKSA-N 0 3 287.407 2.834 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1cccc(-c2ccncc2)c1 ZINC000353570928 527444458 /nfs/dbraw/zinc/44/44/58/527444458.db2.gz OEJXOFZIVVRXCL-DYVFJYSZSA-N 0 3 268.360 2.946 20 30 CFEDHN C=CCC[C@@H](NC[C@@H]1CCCN1CCOC)c1ccco1 ZINC000356061802 527448921 /nfs/dbraw/zinc/44/89/21/527448921.db2.gz CSBBEQPZGWGFKK-JKSUJKDBSA-N 0 3 292.423 2.987 20 30 CFEDHN CC(C)(C#N)CN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000336624676 527488490 /nfs/dbraw/zinc/48/84/90/527488490.db2.gz AEYIFGZKJIMDIE-LLVKDONJSA-N 0 3 253.349 2.774 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344643670 527610649 /nfs/dbraw/zinc/61/06/49/527610649.db2.gz NAEXVBOIYZSPSM-XJKSGUPXSA-N 0 3 266.429 2.825 20 30 CFEDHN Cn1nccc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000336083441 527612779 /nfs/dbraw/zinc/61/27/79/527612779.db2.gz XMPIZMMKUWEJPN-QGZVFWFLSA-N 0 3 280.375 2.849 20 30 CFEDHN COC[C@H]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000452105797 536528185 /nfs/dbraw/zinc/52/81/85/536528185.db2.gz PWYJLADMTVRKME-ZDUSSCGKSA-N 0 3 276.355 2.946 20 30 CFEDHN CCCCC[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000347044240 528274579 /nfs/dbraw/zinc/27/45/79/528274579.db2.gz FCBNQIZYRMYTGS-AWEZNQCLSA-N 0 3 277.412 2.594 20 30 CFEDHN CCOc1ccc(C2=CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000351994762 528414631 /nfs/dbraw/zinc/41/46/31/528414631.db2.gz NZJSQYRGSCCKQE-ZDUSSCGKSA-N 0 3 284.359 2.861 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(CC)(CC)C1 ZINC000347530908 528690741 /nfs/dbraw/zinc/69/07/41/528690741.db2.gz VIWQNWOCMPQRSE-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN CCCOc1ccc([C@@H](C)NC(=O)C(C)C#N)cc1OC ZINC000347076724 528719130 /nfs/dbraw/zinc/71/91/30/528719130.db2.gz ULCKJTKMCHJLLY-VXGBXAGGSA-N 0 3 290.363 2.821 20 30 CFEDHN CCN(Cc1cccc(Br)c1)C(=O)C(C)C#N ZINC000347076618 528803249 /nfs/dbraw/zinc/80/32/49/528803249.db2.gz UGYQNRPQYYLIQY-SNVBAGLBSA-N 0 3 295.180 2.957 20 30 CFEDHN CC1(C)CCC[C@@]1(O)CNCc1ccc(C#N)c(F)c1 ZINC000421389163 528977099 /nfs/dbraw/zinc/97/70/99/528977099.db2.gz WVLUVNCRFIWWKO-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN CCN1CCC[C@H]1CNC(=O)c1oc(CC2CC2)nc1C ZINC000330019116 529091876 /nfs/dbraw/zinc/09/18/76/529091876.db2.gz UPEOFZDVSCCSAA-ZDUSSCGKSA-N 0 3 291.395 2.724 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)[C@]1(C)CCCNC1=O ZINC000330264108 529271693 /nfs/dbraw/zinc/27/16/93/529271693.db2.gz XMLCSAFJSGHBAY-CZUORRHYSA-N 0 3 295.427 2.964 20 30 CFEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CCC)CC1 ZINC001085802420 782168331 /nfs/dbraw/zinc/16/83/31/782168331.db2.gz SRIRTKSVKPDIGF-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000452016054 535753620 /nfs/dbraw/zinc/75/36/20/535753620.db2.gz NEOOZBBAJSGFTH-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001085807948 782171723 /nfs/dbraw/zinc/17/17/23/782171723.db2.gz SIQNPBWGAJOJQD-BZUAXINKSA-N 0 3 278.440 2.922 20 30 CFEDHN CC1(C)CC(=NNC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000753934210 574056012 /nfs/dbraw/zinc/05/60/12/574056012.db2.gz HKNXQUVIWGUTTN-GJZGRUSLSA-N 0 3 296.418 2.932 20 30 CFEDHN CC(Cc1ccsc1)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753937196 574056806 /nfs/dbraw/zinc/05/68/06/574056806.db2.gz CSQNOQYLEMKDTF-BETUJISGSA-N 0 3 276.409 2.527 20 30 CFEDHN c1ccc2c(c1)CCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753941638 574057249 /nfs/dbraw/zinc/05/72/49/574057249.db2.gz ZTSXNHVIVPQVDB-HZPDHXFCSA-N 0 3 282.391 2.587 20 30 CFEDHN C#Cc1cccc(NC(=S)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000753967070 574059969 /nfs/dbraw/zinc/05/99/69/574059969.db2.gz YPJAQYLECUIDCV-SWLSCSKDSA-N 0 3 299.443 2.580 20 30 CFEDHN C#CCOCCN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000753760511 574074934 /nfs/dbraw/zinc/07/49/34/574074934.db2.gz KNBBILGJBPKUNE-MRXNPFEDSA-N 0 3 261.340 2.825 20 30 CFEDHN CC(C)(C)[C@H]1C[C@@H](NCc2ccc(C#N)cn2)CS1 ZINC000754150532 574078035 /nfs/dbraw/zinc/07/80/35/574078035.db2.gz TUYCCGUKIXKOEV-ZIAGYGMSSA-N 0 3 275.421 2.963 20 30 CFEDHN CCCCCCN(C)CC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000754174009 574079951 /nfs/dbraw/zinc/07/99/51/574079951.db2.gz CATVQKXCWRNABY-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN CC(C)N1CC(N=Nc2nncc3ccccc32)[C@H](C)C1 ZINC000754253227 574084506 /nfs/dbraw/zinc/08/45/06/574084506.db2.gz BZDVYMRJXCKLDT-GFCCVEGCSA-N 0 3 283.379 2.758 20 30 CFEDHN CC(C)N1CC(N=Nc2cnc3ccccc3n2)[C@@H](C)C1 ZINC000754262174 574085122 /nfs/dbraw/zinc/08/51/22/574085122.db2.gz ZJTSLZJCVSNKLI-LBPRGKRZSA-N 0 3 283.379 2.758 20 30 CFEDHN CC(C)[C@@H]1C[C@@H](NCc2ccc(C#N)cn2)CS1 ZINC000754147196 574091920 /nfs/dbraw/zinc/09/19/20/574091920.db2.gz AGXNIPPSECDWIB-KGLIPLIRSA-N 0 3 261.394 2.573 20 30 CFEDHN COc1cccc(C[C@H](NCC2(C#N)CC2)C2CC2)c1 ZINC000754482701 574097465 /nfs/dbraw/zinc/09/74/65/574097465.db2.gz JVZZGYRJUKSJHI-INIZCTEOSA-N 0 3 270.376 2.910 20 30 CFEDHN COC(=O)C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000754541795 574101320 /nfs/dbraw/zinc/10/13/20/574101320.db2.gz SAFMYESMRDKAOK-NHYWBVRUSA-N 0 3 272.348 2.551 20 30 CFEDHN C=C1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000731032251 574107816 /nfs/dbraw/zinc/10/78/16/574107816.db2.gz GALCYKMIMDMURP-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@H+](CC)CCOC)c1[O-] ZINC000754722183 574116511 /nfs/dbraw/zinc/11/65/11/574116511.db2.gz FDYCUCYEZITODS-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN C=CCc1cc(OC)cc(C[N@@H+](CC)CCOC)c1[O-] ZINC000754722183 574116513 /nfs/dbraw/zinc/11/65/13/574116513.db2.gz FDYCUCYEZITODS-UHFFFAOYSA-N 0 3 279.380 2.598 20 30 CFEDHN CC(C)n1cc([C@H](C)NC[C@H](O)c2ccc(C#N)cc2)cn1 ZINC000754801889 574122272 /nfs/dbraw/zinc/12/22/72/574122272.db2.gz ZYQXPJFUFUSBHH-GUYCJALGSA-N 0 3 298.390 2.720 20 30 CFEDHN CCCCCCCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000754864338 574125320 /nfs/dbraw/zinc/12/53/20/574125320.db2.gz FMNWUIXIDKBKDI-CQSZACIVSA-N 0 3 281.444 2.883 20 30 CFEDHN C#Cc1cccc(NC(=S)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000731952310 574137047 /nfs/dbraw/zinc/13/70/47/574137047.db2.gz SEXZUNWWCHGQQF-INIZCTEOSA-N 0 3 299.443 2.533 20 30 CFEDHN C[C@@H]1CN(Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1C ZINC000751923574 574144769 /nfs/dbraw/zinc/14/47/69/574144769.db2.gz ABIBZWXUIGVXTL-ZIAGYGMSSA-N 0 3 280.375 2.967 20 30 CFEDHN C#CCN(CC)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000746457570 574149337 /nfs/dbraw/zinc/14/93/37/574149337.db2.gz IULKBNZZGMVWPM-UHFFFAOYSA-N 0 3 267.376 2.944 20 30 CFEDHN C=C1CCN(C(=O)CN(C)CCCCCC)CC1 ZINC000732287775 574150438 /nfs/dbraw/zinc/15/04/38/574150438.db2.gz GFIDGFVGKNTOMZ-UHFFFAOYSA-N 0 3 252.402 2.677 20 30 CFEDHN COc1ccc([C@@H]2CCCCC2=Nn2cnnc2)cc1F ZINC000732711118 574166680 /nfs/dbraw/zinc/16/66/80/574166680.db2.gz ZNJJESAHHTVLMU-LBPRGKRZSA-N 0 3 288.326 2.988 20 30 CFEDHN CCCNN=C1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000755651333 574175506 /nfs/dbraw/zinc/17/55/06/574175506.db2.gz JERFTXGVGCZIBU-UHFFFAOYSA-N 0 3 287.407 2.637 20 30 CFEDHN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)c2ccccn2)C1 ZINC000733052593 574184838 /nfs/dbraw/zinc/18/48/38/574184838.db2.gz CISOXDBUWAFISM-MGPQQGTHSA-N 0 3 272.348 2.853 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1ccnc2ccccc12 ZINC000755893652 574194807 /nfs/dbraw/zinc/19/48/07/574194807.db2.gz RMMSLJCVLAGSEK-LBPRGKRZSA-N 0 3 280.375 2.539 20 30 CFEDHN Cc1nc(C=N[N-]c2cc(C)cc[nH+]2)c2ccccn12 ZINC000755900875 574195500 /nfs/dbraw/zinc/19/55/00/574195500.db2.gz QNISNLZSVRYYQH-UHFFFAOYSA-N 0 3 265.320 2.792 20 30 CFEDHN CCCCNN=C(C)c1ccc(OCCN(C)C)cc1 ZINC000748133033 574231161 /nfs/dbraw/zinc/23/11/61/574231161.db2.gz JJCPFQDKKUYKGB-UHFFFAOYSA-N 0 3 277.412 2.741 20 30 CFEDHN C#CCSCCNCc1cnc(-c2ccccc2)nc1 ZINC000740017788 574232065 /nfs/dbraw/zinc/23/20/65/574232065.db2.gz AZNWEBWWJMQRID-UHFFFAOYSA-N 0 3 283.400 2.600 20 30 CFEDHN C=CCN1CCC(NC(=S)Nc2ccccc2)CC1 ZINC000729942052 574239735 /nfs/dbraw/zinc/23/97/35/574239735.db2.gz HHRUPRDUDXJUEF-UHFFFAOYSA-N 0 3 275.421 2.623 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C=C2CCCC2)CC1 ZINC000729977489 574240619 /nfs/dbraw/zinc/24/06/19/574240619.db2.gz PYZMWRKSRUBUDF-UHFFFAOYSA-N 0 3 262.397 2.644 20 30 CFEDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)c([O-])c1C ZINC000756551423 574246387 /nfs/dbraw/zinc/24/63/87/574246387.db2.gz BGEQTMOJLNEEAC-AWEZNQCLSA-N 0 3 287.407 2.648 20 30 CFEDHN C#Cc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cn1 ZINC000733781370 574256779 /nfs/dbraw/zinc/25/67/79/574256779.db2.gz BLAOCBCGSGLWCE-UHFFFAOYSA-N 0 3 293.370 2.685 20 30 CFEDHN c1cnnc(N=NC2CCCC[C@H]2N2CCCCC2)c1 ZINC000748788899 574266451 /nfs/dbraw/zinc/26/64/51/574266451.db2.gz WFWHEJHJPRVBSR-CQSZACIVSA-N 0 3 273.384 2.673 20 30 CFEDHN CCCCCCCCN(C)[C@@H]1CCCCNC1=O ZINC000740875657 574272308 /nfs/dbraw/zinc/27/23/08/574272308.db2.gz BQONFZNEHVXDQN-CQSZACIVSA-N 0 3 254.418 2.947 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)C2CC2)cc1Cl ZINC000734161005 574277614 /nfs/dbraw/zinc/27/76/14/574277614.db2.gz KDSMVTVMXDDNOW-AWEZNQCLSA-N 0 3 281.783 2.765 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2COc3ccccc3C2)s1 ZINC000749108963 574280158 /nfs/dbraw/zinc/28/01/58/574280158.db2.gz MMSCPBBMVOKRKH-LBPRGKRZSA-N 0 3 284.384 2.961 20 30 CFEDHN CCN1CCC(=NNC(=S)Nc2ccccc2)[C@H](C)C1 ZINC000741458832 574291221 /nfs/dbraw/zinc/29/12/21/574291221.db2.gz XADONFKFKOJCEH-GFCCVEGCSA-N 0 3 290.436 2.691 20 30 CFEDHN C[C@@H]1CC(=NNCc2cccc3cccnc32)CCN1C ZINC000741460705 574291462 /nfs/dbraw/zinc/29/14/62/574291462.db2.gz UEUIDPZSUUVXOF-CYBMUJFWSA-N 0 3 282.391 2.795 20 30 CFEDHN CCOc1ccc(/C=N\[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741463438 574291964 /nfs/dbraw/zinc/29/19/64/574291964.db2.gz FQWIDYGFTUPFGL-XPOBMWCSSA-N 0 3 276.380 2.693 20 30 CFEDHN CCOc1ccc(/C=N\[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([O-])c1 ZINC000741463438 574291966 /nfs/dbraw/zinc/29/19/66/574291966.db2.gz FQWIDYGFTUPFGL-XPOBMWCSSA-N 0 3 276.380 2.693 20 30 CFEDHN N#CCCCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737688831 574315382 /nfs/dbraw/zinc/31/53/82/574315382.db2.gz YPOGTJTZCCRAQH-UHFFFAOYSA-N 0 3 296.378 2.525 20 30 CFEDHN N#CCCCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737688831 574315384 /nfs/dbraw/zinc/31/53/84/574315384.db2.gz YPOGTJTZCCRAQH-UHFFFAOYSA-N 0 3 296.378 2.525 20 30 CFEDHN N#CCCCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737688831 574315386 /nfs/dbraw/zinc/31/53/86/574315386.db2.gz YPOGTJTZCCRAQH-UHFFFAOYSA-N 0 3 296.378 2.525 20 30 CFEDHN N#CCCCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737688831 574315388 /nfs/dbraw/zinc/31/53/88/574315388.db2.gz YPOGTJTZCCRAQH-UHFFFAOYSA-N 0 3 296.378 2.525 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206627 574316351 /nfs/dbraw/zinc/31/63/51/574316351.db2.gz MGUDXPMEMUJDTC-VBROQKIQSA-N 0 3 286.331 2.699 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000735206501 574316524 /nfs/dbraw/zinc/31/65/24/574316524.db2.gz LDHBVHRAMUAOJL-LRAPTIAOSA-N 0 3 286.331 2.699 20 30 CFEDHN C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750039312 574321633 /nfs/dbraw/zinc/32/16/33/574321633.db2.gz IMAWTZZDXLEWII-CQSZACIVSA-N 0 3 264.325 2.525 20 30 CFEDHN C=CCN(Cc1ccc(-n2ccnc2)nc1)C(C)C ZINC000750040068 574322285 /nfs/dbraw/zinc/32/22/85/574322285.db2.gz ROGJFNAEJQJYFU-UHFFFAOYSA-N 0 3 256.353 2.664 20 30 CFEDHN COc1cccc(O)c1CNCc1ccc(C#N)cc1 ZINC000725845506 574327512 /nfs/dbraw/zinc/32/75/12/574327512.db2.gz ALKOPENIACOZFK-UHFFFAOYSA-N 0 3 268.316 2.562 20 30 CFEDHN Cc1cccc([C@@H]2CCCCCN2CC(=O)NCCC#N)c1 ZINC000735494941 574327632 /nfs/dbraw/zinc/32/76/32/574327632.db2.gz KYOQEPKBFBZBFB-KRWDZBQOSA-N 0 3 299.418 2.942 20 30 CFEDHN C=CCCCOC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000735531955 574328412 /nfs/dbraw/zinc/32/84/12/574328412.db2.gz IRTIGVXVODHLLK-AWEZNQCLSA-N 0 3 291.322 2.688 20 30 CFEDHN C[C@H]1CCCN1CCNc1nc(C(F)(F)F)ccc1C#N ZINC000742427841 574330083 /nfs/dbraw/zinc/33/00/83/574330083.db2.gz RDLIJZGMTCUZQG-JTQLQIEISA-N 0 3 298.312 2.868 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@H]3C)nc21 ZINC000735793128 574335978 /nfs/dbraw/zinc/33/59/78/574335978.db2.gz QRYCKBYCQOBHHT-GMTAPVOTSA-N 0 3 253.305 2.704 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@H]3C)[nH]c21 ZINC000735793128 574335981 /nfs/dbraw/zinc/33/59/81/574335981.db2.gz QRYCKBYCQOBHHT-GMTAPVOTSA-N 0 3 253.305 2.704 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000736400389 574367654 /nfs/dbraw/zinc/36/76/54/574367654.db2.gz VFRAJMIFMRRFPH-CYBMUJFWSA-N 0 3 295.814 2.559 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccco1 ZINC000744021731 574375893 /nfs/dbraw/zinc/37/58/93/574375893.db2.gz DHYZEKVCWWYUPG-STQMWFEESA-N 0 3 290.363 2.788 20 30 CFEDHN N#CC(C(=O)CCOCC1CC1)c1nc2ccccc2[nH]1 ZINC000751824125 574383356 /nfs/dbraw/zinc/38/33/56/574383356.db2.gz YMDODXVNIQIROA-GFCCVEGCSA-N 0 3 283.331 2.556 20 30 CFEDHN C=C(CN(C)C)C(=O)N(C)c1ccccc1C(C)C ZINC000752909222 574396337 /nfs/dbraw/zinc/39/63/37/574396337.db2.gz LATHQDOEOFDXMI-UHFFFAOYSA-N 0 3 260.381 2.891 20 30 CFEDHN C#C[C@@H](CC)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000753063474 574398059 /nfs/dbraw/zinc/39/80/59/574398059.db2.gz UBQXYXFIKMAJNW-IRXDYDNUSA-N 0 3 299.418 2.535 20 30 CFEDHN C[C@@H](NCCCC#N)c1cnn(-c2ccccc2)c1 ZINC000753731140 574409030 /nfs/dbraw/zinc/40/90/30/574409030.db2.gz BOKXABMCSDTGKZ-CYBMUJFWSA-N 0 3 254.337 2.827 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2CC(F)(F)C2)c1 ZINC000753802365 574410532 /nfs/dbraw/zinc/41/05/32/574410532.db2.gz OLNIFXPKJJQGNY-GFCCVEGCSA-N 0 3 292.285 2.688 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CCC1 ZINC000819745616 599566507 /nfs/dbraw/zinc/56/65/07/599566507.db2.gz MJHLLDPXHQCWEG-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CCC1 ZINC000819745616 599566510 /nfs/dbraw/zinc/56/65/10/599566510.db2.gz MJHLLDPXHQCWEG-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCC1 ZINC000819745616 599566512 /nfs/dbraw/zinc/56/65/12/599566512.db2.gz MJHLLDPXHQCWEG-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CCC1 ZINC000819745616 599566514 /nfs/dbraw/zinc/56/65/14/599566514.db2.gz MJHLLDPXHQCWEG-UHFFFAOYSA-N 0 3 283.379 2.655 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894589 608461849 /nfs/dbraw/zinc/46/18/49/608461849.db2.gz UNALPDIYKXYLFV-RYUDHWBXSA-N 0 3 271.368 2.872 20 30 CFEDHN C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894589 608461851 /nfs/dbraw/zinc/46/18/51/608461851.db2.gz UNALPDIYKXYLFV-RYUDHWBXSA-N 0 3 271.368 2.872 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)NCC ZINC000796163353 629884536 /nfs/dbraw/zinc/88/45/36/629884536.db2.gz NVPVMSFRLRTNBM-ZDUSSCGKSA-N 0 3 254.374 2.553 20 30 CFEDHN C=CCC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823893907 607682713 /nfs/dbraw/zinc/68/27/13/607682713.db2.gz AZARCQLDESJTRL-HNNXBMFYSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CCC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823893907 607682714 /nfs/dbraw/zinc/68/27/14/607682714.db2.gz AZARCQLDESJTRL-HNNXBMFYSA-N 0 3 283.379 2.701 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000823888184 608520802 /nfs/dbraw/zinc/52/08/02/608520802.db2.gz GVDCRARZLHAIBP-ABAIWWIYSA-N 0 3 283.379 2.798 20 30 CFEDHN C=CC[C@@H](C)[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823888184 608520803 /nfs/dbraw/zinc/52/08/03/608520803.db2.gz GVDCRARZLHAIBP-ABAIWWIYSA-N 0 3 283.379 2.798 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)[C@@H](CC2CCCC2)C(C)C)C1 ZINC000970158359 612962513 /nfs/dbraw/zinc/96/25/13/612962513.db2.gz NXNZTCMOVFGNAH-SJORKVTESA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2ccccc2C(C)(C)CC)C1 ZINC000969029081 612966477 /nfs/dbraw/zinc/96/64/77/612966477.db2.gz DYMQCZPFDXFMOS-OAHLLOKOSA-N 0 3 298.430 2.812 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)c2coc3ccccc23)C1 ZINC000970973070 612998369 /nfs/dbraw/zinc/99/83/69/612998369.db2.gz PTFZAKXKGZQAAH-ZDUSSCGKSA-N 0 3 296.370 2.506 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983390557 613004047 /nfs/dbraw/zinc/00/40/47/613004047.db2.gz QKETVFWWKDEONI-WMZOPIPTSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000981226936 613004741 /nfs/dbraw/zinc/00/47/41/613004741.db2.gz OMZYMOWDSKHADP-KRWDZBQOSA-N 0 3 288.435 2.681 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CC)C1 ZINC000968078770 613014239 /nfs/dbraw/zinc/01/42/39/613014239.db2.gz LOVJRXPIOYCVFU-QAPCUYQASA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665111 613022542 /nfs/dbraw/zinc/02/25/42/613022542.db2.gz NEVSYBLSXFEJKM-RDJZCZTQSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852365 613031486 /nfs/dbraw/zinc/03/14/86/613031486.db2.gz SVAFPCINYLHWDP-MRXNPFEDSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000948403942 613162826 /nfs/dbraw/zinc/16/28/26/613162826.db2.gz BZZUTAIOVWIEMM-AEFFLSMTSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)CC2CC(C)(C)C2)CC1 ZINC000948711849 613177994 /nfs/dbraw/zinc/17/79/94/613177994.db2.gz VCNGBAGBIHITBH-INIZCTEOSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccccc2C)CC1 ZINC000948159343 613179617 /nfs/dbraw/zinc/17/96/17/613179617.db2.gz MOSLARNWIZNLPW-INIZCTEOSA-N 0 3 284.403 2.555 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)C[C@H]1C ZINC000947689970 613223011 /nfs/dbraw/zinc/22/30/11/613223011.db2.gz OTNJBOYRPZTSQG-HUUCEWRRSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2C)C[C@@H]1C ZINC000947993610 613235273 /nfs/dbraw/zinc/23/52/73/613235273.db2.gz DWMRPPKPINLFER-JKSUJKDBSA-N 0 3 284.403 2.519 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C ZINC000948086627 613256696 /nfs/dbraw/zinc/25/66/96/613256696.db2.gz RJJUWSLAETTZHU-KGLIPLIRSA-N 0 3 290.451 2.661 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)C[C@@H]1C ZINC000947689969 613257349 /nfs/dbraw/zinc/25/73/49/613257349.db2.gz OTNJBOYRPZTSQG-GJZGRUSLSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)C2CCCCCC2)C[C@H]1C ZINC000947130746 613258058 /nfs/dbraw/zinc/25/80/58/613258058.db2.gz LRVULVGBYHIVKV-ZBFHGGJFSA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)C[C@@H]1C ZINC000948007540 613263955 /nfs/dbraw/zinc/26/39/55/613263955.db2.gz SYMMIIZGXDAQDF-IRXDYDNUSA-N 0 3 298.430 2.828 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@@H](C)C1 ZINC000942109003 613270929 /nfs/dbraw/zinc/27/09/29/613270929.db2.gz LBUNZOQMUXGNOG-YJBOKZPZSA-N 0 3 298.430 2.883 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970295677 613298800 /nfs/dbraw/zinc/29/88/00/613298800.db2.gz KITVFLXUIUGVHT-UKRRQHHQSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC000970799187 613299866 /nfs/dbraw/zinc/29/98/66/613299866.db2.gz BGNGUOBHPLSYBM-OAHLLOKOSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000970939836 613301729 /nfs/dbraw/zinc/30/17/29/613301729.db2.gz YVSWGPJKLRIXNW-PBMMVSLJSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199195 613302134 /nfs/dbraw/zinc/30/21/34/613302134.db2.gz RIBXVSNGHNSZHB-YHUYYLMFSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970500127 613303105 /nfs/dbraw/zinc/30/31/05/613303105.db2.gz AICDPBPYLMPCPJ-ZDUSSCGKSA-N 0 3 297.402 2.794 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970829422 613303130 /nfs/dbraw/zinc/30/31/30/613303130.db2.gz JOGUSKJXBVJBEG-HNNXBMFYSA-N 0 3 286.419 2.930 20 30 CFEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cscn1 ZINC000968785397 613307390 /nfs/dbraw/zinc/30/73/90/613307390.db2.gz ZRDAVHVRJNOATH-ZDUSSCGKSA-N 0 3 293.436 2.694 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)CC2=CCCCC2)CC1 ZINC000980842488 613307578 /nfs/dbraw/zinc/30/75/78/613307578.db2.gz GAFIKCXUJZKMTB-UHFFFAOYSA-N 0 3 276.424 2.987 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967923212 613323208 /nfs/dbraw/zinc/32/32/08/613323208.db2.gz XKPQBPBIBIVDDT-HIFRSBDPSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964682503 613324420 /nfs/dbraw/zinc/32/44/20/613324420.db2.gz DQAAOMSBIIDKEM-ZBFHGGJFSA-N 0 3 272.392 2.703 20 30 CFEDHN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967461724 613325690 /nfs/dbraw/zinc/32/56/90/613325690.db2.gz DLAOMSRWEMCVLQ-GDBMZVCRSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC000947071450 613329918 /nfs/dbraw/zinc/32/99/18/613329918.db2.gz VBUOTLSXUARCMP-ZIAGYGMSSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC000947071450 613329920 /nfs/dbraw/zinc/32/99/20/613329920.db2.gz VBUOTLSXUARCMP-ZIAGYGMSSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)CC2CCC2)C1 ZINC000965807026 613332371 /nfs/dbraw/zinc/33/23/71/613332371.db2.gz ZVRFCJRUYFYMIT-ZFWWWQNUSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966916480 613333861 /nfs/dbraw/zinc/33/38/61/613333861.db2.gz SYLUCHBXJLLTMC-SWLSCSKDSA-N 0 3 289.423 2.648 20 30 CFEDHN 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618080401 /nfs/dbraw/zinc/08/04/01/618080401.db2.gz YPRIJSAQLVPNMN-CQSZACIVSA-N 0 3 290.363 2.618 20 30 CFEDHN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccsc1 ZINC000121838209 618080525 /nfs/dbraw/zinc/08/05/25/618080525.db2.gz VJYFHGSXMUZYDQ-MFKMUULPSA-N 0 3 290.388 2.619 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccsc1 ZINC000121862876 618093475 /nfs/dbraw/zinc/09/34/75/618093475.db2.gz BNWOLJAXTQIQPZ-JQWIXIFHSA-N 0 3 299.355 2.594 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001022916707 618121266 /nfs/dbraw/zinc/12/12/66/618121266.db2.gz FANZBFSUMLZLHJ-QVHKTLOISA-N 0 3 284.831 2.658 20 30 CFEDHN CC(=NNc1ccnc(C)c1)c1cnn(C2CCC2)c1 ZINC000901267112 620778093 /nfs/dbraw/zinc/77/80/93/620778093.db2.gz FQAYUKVTBRKRDC-UHFFFAOYSA-N 0 3 269.352 2.570 20 30 CFEDHN C[C@H](CC/N=C\c1cc(Br)ccc1[O-])[NH+](C)C ZINC000849170148 618122627 /nfs/dbraw/zinc/12/26/27/618122627.db2.gz LMNXUSFHZREZPE-XBDQXEDDSA-N 0 3 299.212 2.914 20 30 CFEDHN CCNc1ccccc1C=NNC1C[C@H](C)O[C@@H](C)C1 ZINC000901301518 620779517 /nfs/dbraw/zinc/77/95/17/620779517.db2.gz WLDYIMCGEBQLIF-STQMWFEESA-N 0 3 275.396 2.998 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001022990836 618141752 /nfs/dbraw/zinc/14/17/52/618141752.db2.gz JUPKUIXYTBYIQL-YUELXQCFSA-N 0 3 292.810 2.779 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001023047311 618152855 /nfs/dbraw/zinc/15/28/55/618152855.db2.gz WTRVNERRIGPSKA-OKILXGFUSA-N 0 3 292.810 2.906 20 30 CFEDHN N#CC1(CCCN2CCOC[C@H]2CC2CC2)CCOCC1 ZINC000933208441 618170243 /nfs/dbraw/zinc/17/02/43/618170243.db2.gz JELGUEDQELXBOR-MRXNPFEDSA-N 0 3 292.423 2.588 20 30 CFEDHN CC#CCN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246488503 618175894 /nfs/dbraw/zinc/17/58/94/618175894.db2.gz GZFQHDITMGSPIW-UONOGXRCSA-N 0 3 280.412 2.635 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(Br)n1 ZINC000926525890 618180642 /nfs/dbraw/zinc/18/06/42/618180642.db2.gz MCKHDGJCYADWOQ-WCQGTBRESA-N 0 3 297.196 2.838 20 30 CFEDHN C[C@H]1CC(NN=Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000901312105 620783587 /nfs/dbraw/zinc/78/35/87/620783587.db2.gz TWBWMAADZNFDPE-STQMWFEESA-N 0 3 275.396 2.632 20 30 CFEDHN CCC1(CC)CNC(=O)[C@@H]1NCCC1(C#N)CCCCC1 ZINC000933284123 618182204 /nfs/dbraw/zinc/18/22/04/618182204.db2.gz DZGFNMROQITRBH-AWEZNQCLSA-N 0 3 291.439 2.745 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001023485716 618193201 /nfs/dbraw/zinc/19/32/01/618193201.db2.gz DMCQHCJQSLKPLU-BZUAXINKSA-N 0 3 290.451 2.520 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001023580503 618202033 /nfs/dbraw/zinc/20/20/33/618202033.db2.gz NWHFJAJLHRTVHS-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603518 618204327 /nfs/dbraw/zinc/20/43/27/618204327.db2.gz VPBOUZGTGSMGSZ-GVDBMIGSSA-N 0 3 290.451 2.520 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001022048718 618205771 /nfs/dbraw/zinc/20/57/71/618205771.db2.gz 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NKKLPPSXIJUQDA-SGMGOOAPSA-N 0 3 258.369 2.951 20 30 CFEDHN C[C@H](C#N)OCCN(C)Cc1ccc(Cl)cc1 ZINC000310234621 618271769 /nfs/dbraw/zinc/27/17/69/618271769.db2.gz RDBABHQKHFPEHX-LLVKDONJSA-N 0 3 252.745 2.700 20 30 CFEDHN C=CCCCCC[C@@H](C)N[C@@H](C)c1ncnn1C ZINC000793557600 618301910 /nfs/dbraw/zinc/30/19/10/618301910.db2.gz OEVMWUSNQWQKCC-OLZOCXBDSA-N 0 3 250.390 2.991 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001024425952 618311340 /nfs/dbraw/zinc/31/13/40/618311340.db2.gz PNMGTKLVRUFWMT-OAHLLOKOSA-N 0 3 288.391 2.504 20 30 CFEDHN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1ccns1 ZINC001024464108 618322958 /nfs/dbraw/zinc/32/29/58/618322958.db2.gz PUYGRWJXAIUISV-ZDUSSCGKSA-N 0 3 293.436 2.694 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001024503274 618335356 /nfs/dbraw/zinc/33/53/56/618335356.db2.gz YRXCFLGBWVBXFK-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1csc(C#N)c1 ZINC000894125961 618372338 /nfs/dbraw/zinc/37/23/38/618372338.db2.gz XJUVYWXBIXDVDQ-YPMHNXCESA-N 0 3 264.394 2.745 20 30 CFEDHN C=C(Br)CN[C@H]1C[C@@H](OCC)C12CCC2 ZINC000162548681 618373829 /nfs/dbraw/zinc/37/38/29/618373829.db2.gz DQJQCJQZRYRNSE-WDEREUQCSA-N 0 3 274.202 2.832 20 30 CFEDHN CC1(C)CCCN1CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000894131674 618376582 /nfs/dbraw/zinc/37/65/82/618376582.db2.gz WROMTFZKESKKPF-UHFFFAOYSA-N 0 3 294.380 2.814 20 30 CFEDHN CCC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCCN([O-])C1=O ZINC000895160720 618408093 /nfs/dbraw/zinc/40/80/93/618408093.db2.gz OYNQFNNTINSZJH-JKSUJKDBSA-N 0 3 290.407 2.758 20 30 CFEDHN COc1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c([O-])c1 ZINC000894184987 618432552 /nfs/dbraw/zinc/43/25/52/618432552.db2.gz IIERXCYRALYHHP-NSHDSACASA-N 0 3 262.353 2.819 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024669848 618438685 /nfs/dbraw/zinc/43/86/85/618438685.db2.gz JUPDTWQDASGSES-GOSISDBHSA-N 0 3 296.414 2.937 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683318 618440875 /nfs/dbraw/zinc/44/08/75/618440875.db2.gz OXWJHIHMKXCCKT-GJZGRUSLSA-N 0 3 276.424 2.723 20 30 CFEDHN C[C@@H]1SCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877608569 618447357 /nfs/dbraw/zinc/44/73/57/618447357.db2.gz UMKFAXRTLTYOFQ-KWQFWETISA-N 0 3 267.785 2.590 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006663326 618455705 /nfs/dbraw/zinc/45/57/05/618455705.db2.gz AVDLXNRKIAFIFP-INIZCTEOSA-N 0 3 276.424 2.561 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773025 618466993 /nfs/dbraw/zinc/46/69/93/618466993.db2.gz AEDOYSFSASHRKJ-QGZVFWFLSA-N 0 3 284.403 2.603 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024787068 618469578 /nfs/dbraw/zinc/46/95/78/618469578.db2.gz WNXHEHXFAOVOTM-GOSISDBHSA-N 0 3 298.430 2.857 20 30 CFEDHN C[C@@H](O)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177689571 618473974 /nfs/dbraw/zinc/47/39/74/618473974.db2.gz SLTYJCRNTPRIQQ-LLVKDONJSA-N 0 3 272.373 2.963 20 30 CFEDHN C#Cc1cccc(NC(=S)NC2CCN(C3CC3)CC2)c1 ZINC000726454317 618477830 /nfs/dbraw/zinc/47/78/30/618477830.db2.gz ZCEQTLJKAWXOOG-UHFFFAOYSA-N 0 3 299.443 2.581 20 30 CFEDHN C#CC1(O)CCN(C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000895384422 618561152 /nfs/dbraw/zinc/56/11/52/618561152.db2.gz NKRVNZMXIOVISX-CYBMUJFWSA-N 0 3 277.795 2.904 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc(OCCC)cc2C)CC1 ZINC000895385841 618562624 /nfs/dbraw/zinc/56/26/24/618562624.db2.gz MILPXXKEUCWPFB-UHFFFAOYSA-N 0 3 287.403 2.744 20 30 CFEDHN Cc1[nH]nc(CN(C)CCc2cccc(C#N)c2)c1C ZINC000895452080 618594730 /nfs/dbraw/zinc/59/47/30/618594730.db2.gz PUHZAWPOQYXYAS-UHFFFAOYSA-N 0 3 268.364 2.573 20 30 CFEDHN C#C[C@H](CC)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000229892233 618647751 /nfs/dbraw/zinc/64/77/51/618647751.db2.gz AXOXZZJXYCMVJM-LLVKDONJSA-N 0 3 253.729 2.556 20 30 CFEDHN C#CCCCCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000180752699 618673015 /nfs/dbraw/zinc/67/30/15/618673015.db2.gz MEBWZHZKZMUIEW-QGZVFWFLSA-N 0 3 285.387 2.998 20 30 CFEDHN C=C(CNC(=O)[C@@H]1CCCN1C(C)C)c1ccccc1 ZINC000935985633 618726867 /nfs/dbraw/zinc/72/68/67/618726867.db2.gz MLLZREBNVDBUHL-INIZCTEOSA-N 0 3 272.392 2.689 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC=C(Cl)C2)CC1 ZINC000892852406 618757844 /nfs/dbraw/zinc/75/78/44/618757844.db2.gz ZCSMNSKTTYHONI-UHFFFAOYSA-N 0 3 297.830 2.565 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC000892852177 618757918 /nfs/dbraw/zinc/75/79/18/618757918.db2.gz WYCRNBJXXMHDAJ-CWRNSKLLSA-N 0 3 291.439 2.515 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N(CC(C)C)CC(C)C ZINC000852097694 618761629 /nfs/dbraw/zinc/76/16/29/618761629.db2.gz UWIFFWXRFCRGOF-MRXNPFEDSA-N 0 3 266.429 2.519 20 30 CFEDHN C=CC[C@@H](C)NCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892949775 618780380 /nfs/dbraw/zinc/78/03/80/618780380.db2.gz DLDGQQVDMNFJCQ-LLVKDONJSA-N 0 3 294.399 2.821 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001019911630 618793155 /nfs/dbraw/zinc/79/31/55/618793155.db2.gz IRFYSQYSQLTCRE-SFHVURJKSA-N 0 3 294.398 2.691 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2CCC[C@H]2C)C1 ZINC001020186500 618804632 /nfs/dbraw/zinc/80/46/32/618804632.db2.gz QVPLUBIVMGZOAZ-FMKGYKFTSA-N 0 3 284.831 2.802 20 30 CFEDHN C#CC[C@@H](N[C@H]1C[C@@H](OCC)[C@@H]1OC)c1ccccc1 ZINC000893239181 618899595 /nfs/dbraw/zinc/89/95/95/618899595.db2.gz QEKHUQPOEHYFMB-YYIAUSFCSA-N 0 3 273.376 2.533 20 30 CFEDHN C=C(C)CCN1CCC[C@H](NC(=O)c2cccs2)C1 ZINC001006624243 618917489 /nfs/dbraw/zinc/91/74/89/618917489.db2.gz KBSTZFKDQWGMSV-ZDUSSCGKSA-N 0 3 278.421 2.909 20 30 CFEDHN C[C@@H](CNCC#Cc1ccccc1)c1nccs1 ZINC000893569102 619075134 /nfs/dbraw/zinc/07/51/34/619075134.db2.gz YTTPWMZIPNRKIN-ZDUSSCGKSA-N 0 3 256.374 2.888 20 30 CFEDHN CCCN(C(=O)Nc1sccc1C#N)[C@@H]1CCN(C)C1 ZINC000931835030 619125725 /nfs/dbraw/zinc/12/57/25/619125725.db2.gz KSGNMCQDJHMHPR-GFCCVEGCSA-N 0 3 292.408 2.568 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000894218596 619268113 /nfs/dbraw/zinc/26/81/13/619268113.db2.gz HGYALSWSXIOETE-IUODEOHRSA-N 0 3 265.328 2.602 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccsc1C(=O)OC ZINC000894217606 619268388 /nfs/dbraw/zinc/26/83/88/619268388.db2.gz BAEAAYHXEGVMEE-AAEUAGOBSA-N 0 3 295.404 2.606 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1c2ccccc2C[C@H]1O ZINC000924912099 619278689 /nfs/dbraw/zinc/27/86/89/619278689.db2.gz WVHVGLNGJIJRCP-GLQYFDAESA-N 0 3 258.365 2.563 20 30 CFEDHN N#Cc1cc(CN2CCCCC[C@@H]2CCO)cs1 ZINC000894295910 619314081 /nfs/dbraw/zinc/31/40/81/619314081.db2.gz SYDZDKVTODETSB-CYBMUJFWSA-N 0 3 264.394 2.747 20 30 CFEDHN CCCCN(CCCO)Cc1csc(C#N)c1 ZINC000894475495 619396094 /nfs/dbraw/zinc/39/60/94/619396094.db2.gz WTDRNWVGFLVWLF-UHFFFAOYSA-N 0 3 252.383 2.604 20 30 CFEDHN COC(=O)c1cc(CNCC2(CC#N)CC2)[nH]c1C(C)C ZINC000894642964 619434950 /nfs/dbraw/zinc/43/49/50/619434950.db2.gz BRNBMAHORLIUMQ-UHFFFAOYSA-N 0 3 289.379 2.708 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000894750561 619456796 /nfs/dbraw/zinc/45/67/96/619456796.db2.gz JSCIVXKASLDIJZ-DZGCQCFKSA-N 0 3 289.423 2.942 20 30 CFEDHN COC[C@H]1CCCN(Cc2csc(C#N)c2)CC1 ZINC000894791744 619465434 /nfs/dbraw/zinc/46/54/34/619465434.db2.gz LANCQAWABXAYFE-LBPRGKRZSA-N 0 3 264.394 2.868 20 30 CFEDHN C#C[C@@H](NCc1ccc2oc(=O)oc2c1)C(C)(C)C ZINC000894784496 619467038 /nfs/dbraw/zinc/46/70/38/619467038.db2.gz LXOZDTLSDFZQHG-CYBMUJFWSA-N 0 3 259.305 2.524 20 30 CFEDHN C#Cc1cccc(CNCc2cc(C(=O)OC)c(CC)[nH]2)c1 ZINC000894942078 619514571 /nfs/dbraw/zinc/51/45/71/619514571.db2.gz PAVMKELCAIHCNK-UHFFFAOYSA-N 0 3 296.370 2.635 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000895669716 619582423 /nfs/dbraw/zinc/58/24/23/619582423.db2.gz FJZPAVAGEQEVCL-UHFFFAOYSA-N 0 3 282.387 2.827 20 30 CFEDHN N#Cc1c(F)cccc1CNC1CCC2(COC2)CC1 ZINC000895694585 619585109 /nfs/dbraw/zinc/58/51/09/619585109.db2.gz NBMZAOPEDGRDMN-UHFFFAOYSA-N 0 3 274.339 2.746 20 30 CFEDHN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000895785154 619606343 /nfs/dbraw/zinc/60/63/43/619606343.db2.gz REQSFVMPNWIZMN-DGFQIJBJSA-N 0 3 275.783 2.988 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1cnc(CC(F)(F)F)s1 ZINC000896035266 619657912 /nfs/dbraw/zinc/65/79/12/619657912.db2.gz RFYARWVNLJMMMT-VIFPVBQESA-N 0 3 294.342 2.665 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/C=C(Cl)Cl)CC1 ZINC000896208583 619694259 /nfs/dbraw/zinc/69/42/59/619694259.db2.gz JDJPIHBEOGUQGW-HWKANZROSA-N 0 3 289.206 2.628 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000896277379 619708567 /nfs/dbraw/zinc/70/85/67/619708567.db2.gz RISAWSYBFCDLKL-HIFRSBDPSA-N 0 3 297.402 2.530 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1ccc(Cl)cn1 ZINC000883391525 619715168 /nfs/dbraw/zinc/71/51/68/619715168.db2.gz MUOTWQXVPVTQTL-PWSUYJOCSA-N 0 3 254.761 2.713 20 30 CFEDHN C#CCCCCCCNCc1nc(CN(C)C)cs1 ZINC000896310624 619715698 /nfs/dbraw/zinc/71/56/98/619715698.db2.gz DOWFGDZTIYSWHS-UHFFFAOYSA-N 0 3 279.453 2.878 20 30 CFEDHN C=CC[C@@H](C)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896413446 619732083 /nfs/dbraw/zinc/73/20/83/619732083.db2.gz FFENNJCDSIGCNY-CZUORRHYSA-N 0 3 290.407 2.815 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCC[C@@H](C(F)(F)F)O2)n1 ZINC000896823994 619830901 /nfs/dbraw/zinc/83/09/01/619830901.db2.gz QMVVIXVJTBNFKJ-STQMWFEESA-N 0 3 299.296 2.543 20 30 CFEDHN C#Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000897025496 619916224 /nfs/dbraw/zinc/91/62/24/619916224.db2.gz YNWXTYUPZIWHJN-UHFFFAOYSA-N 0 3 296.414 2.758 20 30 CFEDHN CC#CCN(C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000897167824 619942666 /nfs/dbraw/zinc/94/26/66/619942666.db2.gz SRGUCIMUUVIXEI-UHFFFAOYSA-N 0 3 267.376 2.851 20 30 CFEDHN CCCN(CCN(C)C)C(=O)c1c(C)cc(C#N)cc1C ZINC000897225907 619953721 /nfs/dbraw/zinc/95/37/21/619953721.db2.gz VUCXVKAKXWTPTJ-UHFFFAOYSA-N 0 3 287.407 2.589 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@]23C[C@H]2CCC3)c1 ZINC000897242414 619957531 /nfs/dbraw/zinc/95/75/31/619957531.db2.gz UCUFICGASONAMO-OCCSQVGLSA-N 0 3 261.756 2.886 20 30 CFEDHN CC1(C)CCN(CCNc2nc(C#N)c(Cl)s2)C1 ZINC000897249270 619958838 /nfs/dbraw/zinc/95/88/38/619958838.db2.gz RODKSUYKLAUGRK-UHFFFAOYSA-N 0 3 284.816 2.812 20 30 CFEDHN C[C@@H](CCC#N)CN(C)CC(=O)NCCC1=CCCCC1 ZINC000897377723 620087614 /nfs/dbraw/zinc/08/76/14/620087614.db2.gz HPXXSDZHCGZCFH-HNNXBMFYSA-N 0 3 291.439 2.865 20 30 CFEDHN Cc1cc(NN=Cc2ncc(C(C)C)s2)ccn1 ZINC000863159183 620164175 /nfs/dbraw/zinc/16/41/75/620164175.db2.gz GRGSBOPODWJBCG-UHFFFAOYSA-N 0 3 260.366 2.838 20 30 CFEDHN C=C(C)CN1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000832535094 625404125 /nfs/dbraw/zinc/40/41/25/625404125.db2.gz XHUHIKNGDPUVKZ-UONOGXRCSA-N 0 3 280.412 2.894 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cscc2C(F)F)C1 ZINC000988851368 620226050 /nfs/dbraw/zinc/22/60/50/620226050.db2.gz PIHPNDHZQBXWHL-UWVGGRQHSA-N 0 3 298.358 2.512 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3ccccc3s2)C1 ZINC000989125926 620232738 /nfs/dbraw/zinc/23/27/38/620232738.db2.gz PVXMWXIBMCJPRJ-JSGCOSHPSA-N 0 3 298.411 2.727 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000989415867 620261209 /nfs/dbraw/zinc/26/12/09/620261209.db2.gz IGYDSCSVQFEFJI-UHFFFAOYSA-N 0 3 299.827 2.521 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CCCc3ccccc3C2)nn1 ZINC000897710007 620273955 /nfs/dbraw/zinc/27/39/55/620273955.db2.gz VGOOPACNVDMEQQ-QGZVFWFLSA-N 0 3 296.418 2.891 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCSC(C)(C)C2)nn1 ZINC000897794015 620286048 /nfs/dbraw/zinc/28/60/48/620286048.db2.gz QYJJURLXKBIDKS-LBPRGKRZSA-N 0 3 280.441 2.618 20 30 CFEDHN C=C1CCC(C(=O)N2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000897865189 620295263 /nfs/dbraw/zinc/29/52/63/620295263.db2.gz WXWMWWRWGYQQQU-AWEZNQCLSA-N 0 3 276.424 2.676 20 30 CFEDHN N#Cc1cnc(Cl)c(CN[C@H](CCO)C2CCCC2)c1 ZINC000897882183 620296976 /nfs/dbraw/zinc/29/69/76/620296976.db2.gz FQPZBYURZXNPLW-CQSZACIVSA-N 0 3 293.798 2.637 20 30 CFEDHN N#Cc1csc(CNCC[C@H]2CCC(F)(F)C2)n1 ZINC000898013417 620322311 /nfs/dbraw/zinc/32/23/11/620322311.db2.gz ANTXTFFLFBKWCF-SECBINFHSA-N 0 3 271.336 2.930 20 30 CFEDHN C=CCCCN(CC)Cc1cc(C(N)=O)cs1 ZINC000898246349 620356678 /nfs/dbraw/zinc/35/66/78/620356678.db2.gz QQIUZBLGRNXOQT-UHFFFAOYSA-N 0 3 252.383 2.635 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000989586940 620382736 /nfs/dbraw/zinc/38/27/36/620382736.db2.gz NJWKNDAMMSIEHR-RHSMWYFYSA-N 0 3 298.430 2.810 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000989708645 620387100 /nfs/dbraw/zinc/38/71/00/620387100.db2.gz VMXXWGZRQNSAQG-YOEHRIQHSA-N 0 3 298.430 2.810 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccsc2C(F)F)C1 ZINC000989734339 620388437 /nfs/dbraw/zinc/38/84/37/620388437.db2.gz SYTCJZIAGDHITC-VHSXEESVSA-N 0 3 298.358 2.512 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccc3ccccc32)C1 ZINC000989746159 620388699 /nfs/dbraw/zinc/38/86/99/620388699.db2.gz UQRQMNRTKVASGL-GOEBONIOSA-N 0 3 292.382 2.666 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(F)cc3)CCC[C@@H]12 ZINC000989910708 620401786 /nfs/dbraw/zinc/40/17/86/620401786.db2.gz YRHQGZAYALLFHJ-WBVHZDCISA-N 0 3 288.366 2.739 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(F)cc3)CCC[C@H]12 ZINC000989910705 620401829 /nfs/dbraw/zinc/40/18/29/620401829.db2.gz YRHQGZAYALLFHJ-DOTOQJQBSA-N 0 3 288.366 2.739 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989933358 620403582 /nfs/dbraw/zinc/40/35/82/620403582.db2.gz YLNAIPOLTQUXLT-NVXWUHKLSA-N 0 3 288.391 2.891 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccoc3)CCC[C@H]12 ZINC000989952129 620404973 /nfs/dbraw/zinc/40/49/73/620404973.db2.gz ZITNDGGBRVIARO-GOEBONIOSA-N 0 3 274.364 2.583 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)C(C)=C3CCCC3)CCC[C@@H]12 ZINC000990190391 620412017 /nfs/dbraw/zinc/41/20/17/620412017.db2.gz DDCBFJHSAQVVSU-SJLPKXTDSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccsc3C)CCC[C@H]12 ZINC000990587475 620432819 /nfs/dbraw/zinc/43/28/19/620432819.db2.gz IQAPPTARJMFPAR-HOCLYGCPSA-N 0 3 290.432 2.969 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccsc3C)CCC[C@@H]12 ZINC000990587469 620432880 /nfs/dbraw/zinc/43/28/80/620432880.db2.gz IQAPPTARJMFPAR-GDBMZVCRSA-N 0 3 290.432 2.969 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CCC2(CCC2)O1 ZINC000901631791 620875719 /nfs/dbraw/zinc/87/57/19/620875719.db2.gz POVVMIQVAHNJRK-KBPBESRZSA-N 0 3 261.369 2.511 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CCC(F)(F)C1 ZINC000901674819 620881989 /nfs/dbraw/zinc/88/19/89/620881989.db2.gz VSNJOJZUOOAADK-RYUDHWBXSA-N 0 3 255.312 2.845 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@H]1CCC(F)(F)C1 ZINC000901674821 620882003 /nfs/dbraw/zinc/88/20/03/620882003.db2.gz VSNJOJZUOOAADK-VXGBXAGGSA-N 0 3 255.312 2.845 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3CCC(F)(F)C3)CCC[C@H]12 ZINC000990997891 621068851 /nfs/dbraw/zinc/06/88/51/621068851.db2.gz NXTHAUXYGJMRDQ-KCQAQPDRSA-N 0 3 298.377 2.721 20 30 CFEDHN C=CCCCN(CC)CN1C[C@H](c2ccccn2)CC1=O ZINC000902670017 621148637 /nfs/dbraw/zinc/14/86/37/621148637.db2.gz WZOKSYZVZUHZCV-OAHLLOKOSA-N 0 3 287.407 2.643 20 30 CFEDHN C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902809341 621184030 /nfs/dbraw/zinc/18/40/30/621184030.db2.gz KYUWJVRYGJSYPT-PRXAMGSTSA-N 0 3 299.349 2.865 20 30 CFEDHN C[C@H](NC[C@]1(C)CCCC[C@@H]1O)c1cc(C#N)ccn1 ZINC000902832168 621187201 /nfs/dbraw/zinc/18/72/01/621187201.db2.gz RTMBDOHGJBJKDO-RCBQFDQVSA-N 0 3 273.380 2.545 20 30 CFEDHN Cc1cccc([C@H](O)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902882848 621198760 /nfs/dbraw/zinc/19/87/60/621198760.db2.gz ZWGRXSRXRXESAH-SUMWQHHRSA-N 0 3 281.359 2.646 20 30 CFEDHN CC[C@@H](NC[C@](C)(O)C(F)(F)F)c1cccc(C#N)c1 ZINC000902890301 621200538 /nfs/dbraw/zinc/20/05/38/621200538.db2.gz ZJUBKRBRZWOWMN-OLZOCXBDSA-N 0 3 286.297 2.912 20 30 CFEDHN Cc1ccc(C[C@H](CO)N[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902967573 621211334 /nfs/dbraw/zinc/21/13/34/621211334.db2.gz WCTNSOACYVMAHO-RHSMWYFYSA-N 0 3 295.386 2.516 20 30 CFEDHN C[C@H](NC[C@H]1CCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000902962697 621215070 /nfs/dbraw/zinc/21/50/70/621215070.db2.gz KASKBNAZYCIVGX-WCQYABFASA-N 0 3 259.353 2.561 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902982599 621217262 /nfs/dbraw/zinc/21/72/62/621217262.db2.gz LUOFUAUORKDJJC-KBXCAEBGSA-N 0 3 295.386 2.954 20 30 CFEDHN C[C@H](NC[C@H]1COc2ccccc21)c1cc(C#N)ccn1 ZINC000902994738 621220205 /nfs/dbraw/zinc/22/02/05/621220205.db2.gz RNYMTIZYADPPGC-JSGCOSHPSA-N 0 3 279.343 2.780 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)NC(C)C)c1cccc(C#N)c1 ZINC000903023083 621233491 /nfs/dbraw/zinc/23/34/91/621233491.db2.gz CXGCEIYOXBGHQF-IUODEOHRSA-N 0 3 273.380 2.512 20 30 CFEDHN C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1cc(C#N)ccn1 ZINC000903063949 621238202 /nfs/dbraw/zinc/23/82/02/621238202.db2.gz KAHMAMCOJTZMKI-GUYCJALGSA-N 0 3 293.370 2.745 20 30 CFEDHN CC[C@@H](COCC1CC1)N[C@H](C)c1cc(C#N)ccn1 ZINC000903047009 621240409 /nfs/dbraw/zinc/24/04/09/621240409.db2.gz FFWWTGOTVWDMPQ-DOMZBBRYSA-N 0 3 273.380 2.809 20 30 CFEDHN C[C@@H](NC[C@@]1(C)CC1(F)F)c1cc(C#N)ccn1 ZINC000903051357 621242181 /nfs/dbraw/zinc/24/21/81/621242181.db2.gz JRQLAXGBLVBWOW-BXKDBHETSA-N 0 3 251.280 2.649 20 30 CFEDHN C[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903092709 621257695 /nfs/dbraw/zinc/25/76/95/621257695.db2.gz DNSYAQIRVJBFSS-UKRRQHHQSA-N 0 3 285.391 2.953 20 30 CFEDHN C[C@@H](NC[C@H]1CC2(CCC2)CO1)c1cc(C#N)ccn1 ZINC000903094433 621258381 /nfs/dbraw/zinc/25/83/81/621258381.db2.gz NQKAMANYKVMEHW-TZMCWYRMSA-N 0 3 271.364 2.563 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12 ZINC000991019280 621268425 /nfs/dbraw/zinc/26/84/25/621268425.db2.gz MLZSYEAYRCLRRJ-CRAIPNDOSA-N 0 3 299.418 2.805 20 30 CFEDHN CCN(C(=O)CN[C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000903197955 621282265 /nfs/dbraw/zinc/28/22/65/621282265.db2.gz XTIXVIQZIVGXCJ-GJZGRUSLSA-N 0 3 285.391 2.711 20 30 CFEDHN CC[C@@H](NCc1cnn(CCF)c1)c1ccc(C#N)cc1 ZINC000903273929 621309260 /nfs/dbraw/zinc/30/92/60/621309260.db2.gz FZPRDFPYZNFTSJ-MRXNPFEDSA-N 0 3 286.354 2.965 20 30 CFEDHN CC1(C#N)CCC(N[C@@H](c2ncccn2)C2CC2)CC1 ZINC000903326209 621338651 /nfs/dbraw/zinc/33/86/51/621338651.db2.gz XAOZQMMSDWIXCE-NPCAHTBFSA-N 0 3 270.380 2.990 20 30 CFEDHN CC[C@H](N[C@@H]1CCCN(CC)C1=O)c1cccc(C#N)c1 ZINC000903389164 621359659 /nfs/dbraw/zinc/35/96/59/621359659.db2.gz TVOITBYGOZKIGD-JKSUJKDBSA-N 0 3 285.391 2.610 20 30 CFEDHN CCCCCCN([O-])C(=O)C1CC[NH+](C2CC2)CC1 ZINC000904204260 621550676 /nfs/dbraw/zinc/55/06/76/621550676.db2.gz IFJOSJDDQPMRHN-UHFFFAOYSA-N 0 3 268.401 2.659 20 30 CFEDHN C=CCNCc1cc(-c2cnn(C)c2C)ccc1F ZINC000904795001 621649070 /nfs/dbraw/zinc/64/90/70/621649070.db2.gz MBCSWURJYPZIPV-UHFFFAOYSA-N 0 3 259.328 2.810 20 30 CFEDHN N#Cc1sccc1-c1nc(C(F)(F)F)n2c1CNCC2 ZINC000904896185 621674197 /nfs/dbraw/zinc/67/41/97/621674197.db2.gz ZDHLJMMWIKSSBE-UHFFFAOYSA-N 0 3 298.293 2.605 20 30 CFEDHN CN1CC[C@@H]1C/N=C/c1c(O)ccc2ccccc21 ZINC000905001905 621680117 /nfs/dbraw/zinc/68/01/17/621680117.db2.gz CWKBKOLQVRLHDK-VVBXCHJUSA-N 0 3 254.333 2.668 20 30 CFEDHN Cc1cc(C)cc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080508 621690724 /nfs/dbraw/zinc/69/07/24/621690724.db2.gz LSLZFCSYUJQQQB-HKMIMPICSA-N 0 3 253.305 2.736 20 30 CFEDHN CC1/C(=C/c2ccc(C3CC3)cc2)C(=O)c2ncnn21 ZINC000905084357 621692306 /nfs/dbraw/zinc/69/23/06/621692306.db2.gz IQULZGWAHYUDFA-WULZRQGASA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C/c2cccc(OC3CC3)c2F)C(=O)c2ncnn21 ZINC000905085085 621692340 /nfs/dbraw/zinc/69/23/40/621692340.db2.gz MAXIODNWNDBJOR-JBBGTMGVSA-N 0 3 299.305 2.799 20 30 CFEDHN Cc1scc(/C=C2/C(=O)c3ncnn3C2C)c1C ZINC000905086926 621692685 /nfs/dbraw/zinc/69/26/85/621692685.db2.gz ULPNLIQIAVLSDA-TYXSZMRMSA-N 0 3 259.334 2.797 20 30 CFEDHN CC1/C(=C/c2ccc(OCC3CC3)cc2)C(=O)c2ncnn21 ZINC000905085115 621692867 /nfs/dbraw/zinc/69/28/67/621692867.db2.gz MLTNCHRFBRBJMI-SHLUWWQESA-N 0 3 295.342 2.908 20 30 CFEDHN C=C(CNC[C@](O)(CC)C(F)(F)F)c1ccccc1 ZINC000905261199 621729484 /nfs/dbraw/zinc/72/94/84/621729484.db2.gz GSJIBFDGJZINRA-CYBMUJFWSA-N 0 3 273.298 2.993 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000924803767 621785396 /nfs/dbraw/zinc/78/53/96/621785396.db2.gz CJLWXBJNQDXMSE-UONOGXRCSA-N 0 3 285.391 2.710 20 30 CFEDHN CC1(C)C[C@@H](NC[C@H](C#N)CCC#N)CCS1 ZINC000905664267 621812500 /nfs/dbraw/zinc/81/25/00/621812500.db2.gz RYPQCPYDOOXOMX-RYUDHWBXSA-N 0 3 251.399 2.694 20 30 CFEDHN Cc1cccc(-c2cnc([C@H]3CCCN3)nc2)c1C#N ZINC000906158216 621935932 /nfs/dbraw/zinc/93/59/32/621935932.db2.gz JVLKNOKGRUJVAX-OAHLLOKOSA-N 0 3 264.332 2.748 20 30 CFEDHN C=CCC1(C(=O)N2CCCN(CC)C[C@@H]2C)CCC1 ZINC000910280869 622424596 /nfs/dbraw/zinc/42/45/96/622424596.db2.gz TYULSOWUTFGBLG-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1N1CCCC1 ZINC000911646491 622533232 /nfs/dbraw/zinc/53/32/32/622533232.db2.gz SDTJEPNQSQATDM-CQSZACIVSA-N 0 3 287.407 2.909 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2c(c1)CCCN2 ZINC000911778069 622550588 /nfs/dbraw/zinc/55/05/88/622550588.db2.gz FIDXNDDZOXXXKD-AWEZNQCLSA-N 0 3 273.380 2.667 20 30 CFEDHN CC(C)c1ccc(N=NC2CCN(CCO)CC2)cc1 ZINC000819812211 622561876 /nfs/dbraw/zinc/56/18/76/622561876.db2.gz AGKHEKBGWWZCPB-UHFFFAOYSA-N 0 3 275.396 2.666 20 30 CFEDHN Cc1cccc(Cl)c1N=NC1CCN(CCO)CC1 ZINC000819812503 622561895 /nfs/dbraw/zinc/56/18/95/622561895.db2.gz CWCMWRDHKBCBTD-UHFFFAOYSA-N 0 3 281.787 2.504 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000911931048 622590492 /nfs/dbraw/zinc/59/04/92/622590492.db2.gz JZLYWXFFBYMLNL-GOEBONIOSA-N 0 3 274.408 2.808 20 30 CFEDHN C=CCCC[C@H](N)C(=O)NC1CCCCCCC1 ZINC000911940208 622594311 /nfs/dbraw/zinc/59/43/11/622594311.db2.gz FWJKTPGDMRFFNR-AWEZNQCLSA-N 0 3 252.402 2.899 20 30 CFEDHN CC[C@H](C)N[C@@H](CNc1ccnc(C#N)c1)c1ccco1 ZINC000912151498 622651330 /nfs/dbraw/zinc/65/13/30/622651330.db2.gz YFRXXYJUQFYTEB-WFASDCNBSA-N 0 3 284.363 2.509 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCCc2cc(OC)ccc21 ZINC000912162688 622654673 /nfs/dbraw/zinc/65/46/73/622654673.db2.gz KMILBAXHODYCCD-OAHLLOKOSA-N 0 3 288.391 2.658 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000912171459 622655338 /nfs/dbraw/zinc/65/53/38/622655338.db2.gz XCIJSFYVEUFTRU-JKSUJKDBSA-N 0 3 272.392 2.938 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000912170781 622655414 /nfs/dbraw/zinc/65/54/14/622655414.db2.gz PNVMVPNNGPBNRU-XJKSGUPXSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000912218226 622664080 /nfs/dbraw/zinc/66/40/80/622664080.db2.gz KBZMGGVQCHEXKY-ZDUSSCGKSA-N 0 3 257.337 2.790 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000912266133 622669586 /nfs/dbraw/zinc/66/95/86/622669586.db2.gz XXWSNWJNAIVPEF-CQSZACIVSA-N 0 3 284.363 2.699 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000912342174 622690055 /nfs/dbraw/zinc/69/00/55/622690055.db2.gz HTQICUWHZQTXIX-IINYFYTJSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1cccc(C)c1 ZINC000912342669 622690922 /nfs/dbraw/zinc/69/09/22/622690922.db2.gz LISXRKYWJDZDNH-OAHLLOKOSA-N 0 3 260.381 2.637 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)Cc1ccc(F)c(F)c1 ZINC000912343782 622690956 /nfs/dbraw/zinc/69/09/56/622690956.db2.gz TZDHULPYGXMNSJ-CQSZACIVSA-N 0 3 282.334 2.607 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(C)c(OC)c1C ZINC000912482076 622727746 /nfs/dbraw/zinc/72/77/46/622727746.db2.gz HIULEDAVEDMPJS-ZDUSSCGKSA-N 0 3 276.380 2.934 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000912485989 622728844 /nfs/dbraw/zinc/72/88/44/622728844.db2.gz AOVMKKHSSLLDIO-RISCZKNCSA-N 0 3 294.370 2.695 20 30 CFEDHN C#CCCCOc1cccnc1NC1CCN(CC=C)CC1 ZINC000820658056 622730103 /nfs/dbraw/zinc/73/01/03/622730103.db2.gz JEVUWALXSCLNCU-UHFFFAOYSA-N 0 3 299.418 2.936 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(CC)o3)CCC[C@H]12 ZINC000991415881 622790057 /nfs/dbraw/zinc/79/00/57/622790057.db2.gz LUZWOLUDDUVWJZ-RDJZCZTQSA-N 0 3 288.391 2.755 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12 ZINC000991419953 622811802 /nfs/dbraw/zinc/81/18/02/622811802.db2.gz ZGQXSCWQNRGQHG-RHSMWYFYSA-N 0 3 287.407 2.544 20 30 CFEDHN C=CCc1cc(CN2CCSCC2)c(O)c(OC)c1 ZINC000164119020 622937185 /nfs/dbraw/zinc/93/71/85/622937185.db2.gz AVIUZGYHOKSCFH-UHFFFAOYSA-N 0 3 279.405 2.678 20 30 CFEDHN C[N@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821599312 622952850 /nfs/dbraw/zinc/95/28/50/622952850.db2.gz OLLHJJYZMCRPRH-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821599312 622952856 /nfs/dbraw/zinc/95/28/56/622952856.db2.gz OLLHJJYZMCRPRH-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821599312 622952859 /nfs/dbraw/zinc/95/28/59/622952859.db2.gz OLLHJJYZMCRPRH-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821599312 622952862 /nfs/dbraw/zinc/95/28/62/622952862.db2.gz OLLHJJYZMCRPRH-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN CCCN1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000156962615 622975448 /nfs/dbraw/zinc/97/54/48/622975448.db2.gz OINKHTKCGXRAHZ-HNNXBMFYSA-N 0 3 287.407 2.505 20 30 CFEDHN COC(=O)Cc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000227352525 623107442 /nfs/dbraw/zinc/10/74/42/623107442.db2.gz CZIWUYSGSNJSQD-UHFFFAOYSA-N 0 3 286.375 2.528 20 30 CFEDHN CS[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171402158 623221250 /nfs/dbraw/zinc/22/12/50/623221250.db2.gz ZXUXHIIFOSIYDS-KCJUWKMLSA-N 0 3 296.779 2.739 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(F)(F)F)c1 ZINC000173964516 623378043 /nfs/dbraw/zinc/37/80/43/623378043.db2.gz HFGPWIPNRJDYKU-LLVKDONJSA-N 0 3 298.264 2.985 20 30 CFEDHN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000173986375 623379043 /nfs/dbraw/zinc/37/90/43/623379043.db2.gz PFXPAYSJMRPCRS-RISCZKNCSA-N 0 3 288.347 2.779 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@H]12 ZINC000992128111 623462964 /nfs/dbraw/zinc/46/29/64/623462964.db2.gz WOIAHKFHXQPFIP-YJBOKZPZSA-N 0 3 299.418 2.805 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992158675 623474166 /nfs/dbraw/zinc/47/41/66/623474166.db2.gz DTLPEKOZGQDNAS-RLFYNMQTSA-N 0 3 288.435 2.559 20 30 CFEDHN N#Cc1cc(Cl)cc(CN2CCN(C3CCC3)CC2)c1 ZINC000929641103 623499812 /nfs/dbraw/zinc/49/98/12/623499812.db2.gz YVUCAUYSLRVHKL-UHFFFAOYSA-N 0 3 289.810 2.882 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNC2(CF)CCOCC2)cc1 ZINC000824690434 623546042 /nfs/dbraw/zinc/54/60/42/623546042.db2.gz GGLUJSLFEIJGPR-ZDUSSCGKSA-N 0 3 292.354 2.586 20 30 CFEDHN C#CCN1CC[C@@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC000992433489 623557135 /nfs/dbraw/zinc/55/71/35/623557135.db2.gz RJKZNWPZKYGGBW-IEZWGBDMSA-N 0 3 296.414 2.537 20 30 CFEDHN Cc1cc(C(=O)N2CCN(C)C(C)(C)CC2)cc(C)c1C#N ZINC000913723064 623566931 /nfs/dbraw/zinc/56/69/31/623566931.db2.gz YMQZKZWXRCJYCV-UHFFFAOYSA-N 0 3 299.418 2.731 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](OC)C(C)(C)C1 ZINC000824820474 623572925 /nfs/dbraw/zinc/57/29/25/623572925.db2.gz GGBNTMWKVDADCR-KRWDZBQOSA-N 0 3 287.403 2.946 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc2cccc(OC)c2o1 ZINC000824861929 623579680 /nfs/dbraw/zinc/57/96/80/623579680.db2.gz SRQBJSRTNPEVLN-KGLIPLIRSA-N 0 3 273.332 2.875 20 30 CFEDHN COC(=O)C1(C#N)CCN(CC2CCC(C)CC2)CC1 ZINC000824866738 623581201 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C=C(C)CN1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993795014 624166356 /nfs/dbraw/zinc/16/63/56/624166356.db2.gz WWHOTHLBPWNCFH-HUUCEWRRSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000993901813 624172319 /nfs/dbraw/zinc/17/23/19/624172319.db2.gz LMBFNOPMBJQXAI-GOEBONIOSA-N 0 3 289.423 2.790 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC000993856681 624172645 /nfs/dbraw/zinc/17/26/45/624172645.db2.gz ONMXPOBMPTWXOI-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN Cc1cc(N=NC(C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000915971041 624197372 /nfs/dbraw/zinc/19/73/72/624197372.db2.gz ZWZIZVIBZWFURN-UHFFFAOYSA-N 0 3 283.379 2.996 20 30 CFEDHN C#CCCN1CCN(CCc2ccc(Cl)cc2)CC1 ZINC000828519612 624261086 /nfs/dbraw/zinc/26/10/86/624261086.db2.gz WQIVIXFUJZKLLA-UHFFFAOYSA-N 0 3 276.811 2.523 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994294002 624275154 /nfs/dbraw/zinc/27/51/54/624275154.db2.gz DNORAHXFBGJVHC-SJLPKXTDSA-N 0 3 298.430 2.909 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994294001 624275230 /nfs/dbraw/zinc/27/52/30/624275230.db2.gz DNORAHXFBGJVHC-FUHWJXTLSA-N 0 3 298.430 2.909 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994348436 624277063 /nfs/dbraw/zinc/27/70/63/624277063.db2.gz IFZDULNCBDEHIS-YJBOKZPZSA-N 0 3 298.430 2.855 20 30 CFEDHN C=CCN(C[C@H](O)c1c(F)cccc1F)C(C)C ZINC000917069535 624306579 /nfs/dbraw/zinc/30/65/79/624306579.db2.gz RRYFSZGVQXPGMV-ZDUSSCGKSA-N 0 3 255.308 2.895 20 30 CFEDHN C=CCC[C@H](CO)Nc1ccnc2cc(OC)ccc21 ZINC000829391294 624429458 /nfs/dbraw/zinc/42/94/58/624429458.db2.gz ZGSHALOMZQKULH-GFCCVEGCSA-N 0 3 272.348 2.982 20 30 CFEDHN CCCCCCCC(=O)N[C@H]1CCCN(CC)C1 ZINC000918396370 624434610 /nfs/dbraw/zinc/43/46/10/624434610.db2.gz MLNSJFDIQKBFHZ-AWEZNQCLSA-N 0 3 254.418 2.947 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)c2snc(Cl)c2C#N)C1 ZINC000829572592 624455907 /nfs/dbraw/zinc/45/59/07/624455907.db2.gz PNUZRJLOLPWWQQ-SECBINFHSA-N 0 3 284.816 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KCIGBZDMPFMZNS-MLGOLLRUSA-N 0 3 279.330 2.734 20 30 CFEDHN C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000829779587 624534491 /nfs/dbraw/zinc/53/44/91/624534491.db2.gz XDEKOHGXHMASSE-CABCVRRESA-N 0 3 270.376 2.749 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000829785207 624536302 /nfs/dbraw/zinc/53/63/02/624536302.db2.gz RYJVDCNMGUIJQP-OAHLLOKOSA-N 0 3 288.435 2.655 20 30 CFEDHN C#CC[C@H]1CCCN(CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000829788622 624538097 /nfs/dbraw/zinc/53/80/97/624538097.db2.gz BTUYQWIAZWBKRF-INIZCTEOSA-N 0 3 290.451 2.901 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000829815692 624553562 /nfs/dbraw/zinc/55/35/62/624553562.db2.gz RCULZAJYOJEFTR-HNNXBMFYSA-N 0 3 272.392 2.942 20 30 CFEDHN C[C@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(C#N)c1 ZINC000930081257 624580862 /nfs/dbraw/zinc/58/08/62/624580862.db2.gz JCWFKTCBQWIHFJ-XHDPSFHLSA-N 0 3 278.783 2.947 20 30 CFEDHN C=CCCCN(C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000830081312 624616693 /nfs/dbraw/zinc/61/66/93/624616693.db2.gz LRXQUACFAJWVHL-ZDUSSCGKSA-N 0 3 295.814 2.858 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)C#CC(C)C)c1 ZINC000831299719 624985992 /nfs/dbraw/zinc/98/59/92/624985992.db2.gz LVYBEUBWDCNZMI-UHFFFAOYSA-N 0 3 258.365 2.655 20 30 CFEDHN C#CCOc1ccc(CNc2cccc(N(C)C)n2)cc1 ZINC000180527968 625027344 /nfs/dbraw/zinc/02/73/44/625027344.db2.gz KIDFQJVOGOUMEX-UHFFFAOYSA-N 0 3 281.359 2.772 20 30 CFEDHN C=CCCCCN1CCN(c2ccnc(F)c2)CC1 ZINC000831463590 625030704 /nfs/dbraw/zinc/03/07/04/625030704.db2.gz WMPWLJIELQDEEQ-UHFFFAOYSA-N 0 3 263.360 2.699 20 30 CFEDHN C#CCCCN[C@H](C)c1nc(Br)cs1 ZINC000834607041 625734147 /nfs/dbraw/zinc/73/41/47/625734147.db2.gz OAXAZCHAKWAYFM-MRVPVSSYSA-N 0 3 273.199 2.970 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(Cl)nc1 ZINC000834886592 625909854 /nfs/dbraw/zinc/90/98/54/625909854.db2.gz AJKNGBFFUGKHKZ-WCQGTBRESA-N 0 3 252.745 2.729 20 30 CFEDHN C#Cc1cccc(CN[C@@H](CC)c2cnn(C)c2)c1 ZINC000834903781 625916528 /nfs/dbraw/zinc/91/65/28/625916528.db2.gz RPHTYJJBZXMAOF-INIZCTEOSA-N 0 3 253.349 2.642 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NOC[C@H]2CCOC2)cc1 ZINC000834973095 625939243 /nfs/dbraw/zinc/93/92/43/625939243.db2.gz LQGONFIMZMTYLW-VHFBNCTDSA-N 0 3 274.364 2.805 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000921585456 625991444 /nfs/dbraw/zinc/99/14/44/625991444.db2.gz RAZXWHDCERJFGN-RBUKOAKNSA-N 0 3 292.382 2.923 20 30 CFEDHN CC#CCN1CCC([C@H](C)NC(=O)c2ccccc2C)CC1 ZINC000997465434 625995301 /nfs/dbraw/zinc/99/53/01/625995301.db2.gz ZXGARQIYEGQSFC-INIZCTEOSA-N 0 3 298.430 2.849 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001016003709 626008677 /nfs/dbraw/zinc/00/86/77/626008677.db2.gz NHCMFVJCXCLOPY-CQSZACIVSA-N 0 3 290.407 2.785 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000997741309 626014888 /nfs/dbraw/zinc/01/48/88/626014888.db2.gz HOGNUKRQSHUFQZ-HOCLYGCPSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000997916851 626021259 /nfs/dbraw/zinc/02/12/59/626021259.db2.gz VANJGPGEHGLJJC-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)c2cocc2C)CC1 ZINC000998079321 626029787 /nfs/dbraw/zinc/02/97/87/626029787.db2.gz ATJXJHPRTINUFB-HNNXBMFYSA-N 0 3 288.391 2.538 20 30 CFEDHN C#CCN1CCC[C@H](N(CC)C(=O)C2CC3(CC3)C2)CC1 ZINC000998128012 626033069 /nfs/dbraw/zinc/03/30/69/626033069.db2.gz WGNMQDSCXNUIHH-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN[C@@H]1CN(C(=O)CCC)CC[C@@H]1C(F)(F)F ZINC000998222983 626035862 /nfs/dbraw/zinc/03/58/62/626035862.db2.gz CPPJTVXXQMUFNG-NWDGAFQWSA-N 0 3 292.345 2.732 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cccs2)C1 ZINC000998395807 626048263 /nfs/dbraw/zinc/04/82/63/626048263.db2.gz UOXKJQUVQPGOOU-UHFFFAOYSA-N 0 3 284.812 2.693 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC000998434560 626050417 /nfs/dbraw/zinc/05/04/17/626050417.db2.gz UJTDDGOSHYXMEF-HSBZDZAISA-N 0 3 282.815 2.674 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC000998629849 626058926 /nfs/dbraw/zinc/05/89/26/626058926.db2.gz AVCBGZJHYFYVNI-UHFFFAOYSA-N 0 3 296.798 2.842 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC000999388301 626073257 /nfs/dbraw/zinc/07/32/57/626073257.db2.gz BHBMFSSNUZXQSA-HIFPTAJRSA-N 0 3 296.798 2.715 20 30 CFEDHN C=C(Cl)CNC1CC(N(C)C(=O)C(C2CC2)C2CC2)C1 ZINC000999662326 626077492 /nfs/dbraw/zinc/07/74/92/626077492.db2.gz FBWQVIOKQRQBGC-UHFFFAOYSA-N 0 3 296.842 2.754 20 30 CFEDHN CC[C@](C)(O)CNCc1cc(C#N)ccc1Br ZINC000921703962 626095415 /nfs/dbraw/zinc/09/54/15/626095415.db2.gz FIYLQIIPOMBOND-ZDUSSCGKSA-N 0 3 297.196 2.571 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016206345 626119128 /nfs/dbraw/zinc/11/91/28/626119128.db2.gz DTIYJXGTDJMWEK-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@H]2CCCC23CC3)CC1 ZINC001000840319 626132930 /nfs/dbraw/zinc/13/29/30/626132930.db2.gz IRNVLODCJPFSQD-OAHLLOKOSA-N 0 3 274.408 2.501 20 30 CFEDHN C=C[C@H](C(=O)N1CCC[C@@H](NCCF)C1)c1ccccc1 ZINC001000985201 626139522 /nfs/dbraw/zinc/13/95/22/626139522.db2.gz VSZQJNQHOGANNU-CVEARBPZSA-N 0 3 290.382 2.506 20 30 CFEDHN C[C@H](NCc1csc(C#N)c1)[C@@H](O)c1cccc(F)c1 ZINC000921815432 626140501 /nfs/dbraw/zinc/14/05/01/626140501.db2.gz HWKOXUMEHYMWBM-ZUZCIYMTSA-N 0 3 290.363 2.971 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001001101360 626143547 /nfs/dbraw/zinc/14/35/47/626143547.db2.gz TVKSFJMULLABFM-GOEBONIOSA-N 0 3 276.424 2.747 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001001128419 626147054 /nfs/dbraw/zinc/14/70/54/626147054.db2.gz AMNNQYOJROHDNV-RDJZCZTQSA-N 0 3 274.408 2.501 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001001143491 626148107 /nfs/dbraw/zinc/14/81/07/626148107.db2.gz IAHOMRUJQCNCAX-UHFFFAOYSA-N 0 3 299.418 2.753 20 30 CFEDHN C[C@H](CCCO)NCc1cc(C#N)ccc1Br ZINC000921833255 626153639 /nfs/dbraw/zinc/15/36/39/626153639.db2.gz TYQFLJHZCNZXRF-SNVBAGLBSA-N 0 3 297.196 2.571 20 30 CFEDHN C=CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001001383412 626156849 /nfs/dbraw/zinc/15/68/49/626156849.db2.gz JTOSSQYIIMKPSE-ZWKOTPCHSA-N 0 3 296.414 2.724 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(F)cc2F)CC1 ZINC001001420167 626157866 /nfs/dbraw/zinc/15/78/66/626157866.db2.gz HOCCLFOOMXKGOE-UHFFFAOYSA-N 0 3 292.329 2.513 20 30 CFEDHN C#CCCCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921837394 626158359 /nfs/dbraw/zinc/15/83/59/626158359.db2.gz IZODBDLCMOWWKB-UHFFFAOYSA-N 0 3 251.761 2.834 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001002159163 626167934 /nfs/dbraw/zinc/16/79/34/626167934.db2.gz KUBVLYKQXHQHAP-MRXNPFEDSA-N 0 3 290.451 2.664 20 30 CFEDHN N#Cc1ccc(Br)c(CNCCCF)c1 ZINC000921860202 626169408 /nfs/dbraw/zinc/16/94/08/626169408.db2.gz QUCNDHMKLWNDCW-UHFFFAOYSA-N 0 3 271.133 2.770 20 30 CFEDHN COC1CC(NCc2cc(C#N)ccc2Br)C1 ZINC000921994164 626192015 /nfs/dbraw/zinc/19/20/15/626192015.db2.gz KUTYWUPCJLTUII-UHFFFAOYSA-N 0 3 295.180 2.588 20 30 CFEDHN CC(C)(O)CCNCc1cc(C#N)ccc1Br ZINC000922013737 626196078 /nfs/dbraw/zinc/19/60/78/626196078.db2.gz JCSJAFKEGPHJHL-UHFFFAOYSA-N 0 3 297.196 2.571 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016345249 626202941 /nfs/dbraw/zinc/20/29/41/626202941.db2.gz GVDXMIRDPYUJBH-QDIHITRGSA-N 0 3 276.424 2.579 20 30 CFEDHN N#Cc1cc(CN[C@@H]2COc3cc(F)ccc3C2)cs1 ZINC000922248100 626250985 /nfs/dbraw/zinc/25/09/85/626250985.db2.gz AJUXKFCOTRKUFX-ZDUSSCGKSA-N 0 3 288.347 2.852 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](O)CNCc1csc(C#N)c1 ZINC000922264452 626255944 /nfs/dbraw/zinc/25/59/44/626255944.db2.gz DWTSPZVBYKSPOK-WBMJQRKESA-N 0 3 286.400 2.874 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1csc(C#N)c1 ZINC000922264451 626256088 /nfs/dbraw/zinc/25/60/88/626256088.db2.gz DWTSPZVBYKSPOK-MLGOLLRUSA-N 0 3 286.400 2.874 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001003876761 626264678 /nfs/dbraw/zinc/26/46/78/626264678.db2.gz FQMWQDJFHDVRBN-RDJZCZTQSA-N 0 3 278.440 2.825 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H]2CC[C@H](C(F)(F)F)O2)o1 ZINC000922678612 626340335 /nfs/dbraw/zinc/34/03/35/626340335.db2.gz FBMQBZDSZUGYPJ-JOYOIKCWSA-N 0 3 288.269 2.741 20 30 CFEDHN CC(C)C(=O)N(C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001005122460 626412133 /nfs/dbraw/zinc/41/21/33/626412133.db2.gz KOXAZQBPKVFSRI-UHFFFAOYSA-N 0 3 299.418 2.637 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccc(C)c(F)c2)CC1 ZINC001005681502 626419502 /nfs/dbraw/zinc/41/95/02/626419502.db2.gz YLJHOPAQGBRDFA-UHFFFAOYSA-N 0 3 290.382 2.857 20 30 CFEDHN CC(C)[C@@H](NCc1cc(C#N)cs1)c1cnn(C)c1 ZINC000922897045 626422184 /nfs/dbraw/zinc/42/21/84/626422184.db2.gz XXMFKLNSFYDQCY-CQSZACIVSA-N 0 3 274.393 2.840 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001005847706 626435834 /nfs/dbraw/zinc/43/58/34/626435834.db2.gz JOTJBRNWNDSRQH-CABCVRRESA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCC1(NCc2nn(C)c3ccccc23)CCC1 ZINC000922997797 626441070 /nfs/dbraw/zinc/44/10/70/626441070.db2.gz LMWMVWODKKUWLN-UHFFFAOYSA-N 0 3 253.349 2.609 20 30 CFEDHN N#Cc1csc(CNC2([C@H]3CCCCO3)CC2)c1 ZINC000923029111 626445064 /nfs/dbraw/zinc/44/50/64/626445064.db2.gz CWTJAFDBBHLFFW-CYBMUJFWSA-N 0 3 262.378 2.811 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001005963700 626454525 /nfs/dbraw/zinc/45/45/25/626454525.db2.gz IMVGKGGNISGFDR-UKRRQHHQSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(C)ccc2F)CC1 ZINC001006059063 626468711 /nfs/dbraw/zinc/46/87/11/626468711.db2.gz XVJLVRBYURMNMW-UHFFFAOYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)Cc2ccsc2C)CC1 ZINC001006091856 626474722 /nfs/dbraw/zinc/47/47/22/626474722.db2.gz MSISRBZVTWADGY-UHFFFAOYSA-N 0 3 292.448 2.708 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001006101825 626474792 /nfs/dbraw/zinc/47/47/92/626474792.db2.gz CJVMPVFGNPGJOB-CQSZACIVSA-N 0 3 290.407 2.800 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ncoc2C(C)C)CC1 ZINC001006253296 626481311 /nfs/dbraw/zinc/48/13/11/626481311.db2.gz YCYJPVFMSQYLDO-UHFFFAOYSA-N 0 3 291.395 2.520 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840788254 626481921 /nfs/dbraw/zinc/48/19/21/626481921.db2.gz WXJLXOGKPMKXLC-JTQLQIEISA-N 0 3 276.340 2.767 20 30 CFEDHN C=C(C)[C@@H](NC[C@@H](O)C1CC1)c1ccc(F)c(F)c1 ZINC000838936964 626516693 /nfs/dbraw/zinc/51/66/93/626516693.db2.gz WLTGFCHWYPAUCA-HUUCEWRRSA-N 0 3 267.319 2.943 20 30 CFEDHN C#CCC1(C(=O)NCCN2CCC[C@H](C)C2)CCCCC1 ZINC000788158551 626538631 /nfs/dbraw/zinc/53/86/31/626538631.db2.gz IOQGPIHYBBAFRC-INIZCTEOSA-N 0 3 290.451 2.808 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757104499 626545015 /nfs/dbraw/zinc/54/50/15/626545015.db2.gz UJAICDLJDJAKMG-UONOGXRCSA-N 0 3 280.412 2.635 20 30 CFEDHN C[C@H](CCC#N)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000839564457 626546815 /nfs/dbraw/zinc/54/68/15/626546815.db2.gz QMNFJLKCSKBTCD-LLVKDONJSA-N 0 3 294.786 2.665 20 30 CFEDHN C=C1CCN(C[C@@](O)(CCCCCC)C(=O)OC)CC1 ZINC000851763951 634516906 /nfs/dbraw/zinc/51/69/06/634516906.db2.gz GFOAXMFYYJGRLJ-INIZCTEOSA-N 0 3 283.412 2.513 20 30 CFEDHN N#CC(C(=O)C=CC1CCCCC1)c1ccncn1 ZINC000760356097 626739325 /nfs/dbraw/zinc/73/93/25/626739325.db2.gz FHWBVPMQZRCNHS-KTRBRXNASA-N 0 3 255.321 2.789 20 30 CFEDHN Cn1cc[nH+]c1[N-]N=C1CCc2cc(Cl)ccc21 ZINC000790299678 626740666 /nfs/dbraw/zinc/74/06/66/626740666.db2.gz GZQQZDGNOHBXJC-UHFFFAOYSA-N 0 3 260.728 2.836 20 30 CFEDHN C#CCOCCN1CCSC[C@H]1c1ccc(C)cc1 ZINC000851775846 634522579 /nfs/dbraw/zinc/52/25/79/634522579.db2.gz XRKNOXYOALZSEW-INIZCTEOSA-N 0 3 275.417 2.735 20 30 CFEDHN COc1cc(F)ccc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000761885657 626870205 /nfs/dbraw/zinc/87/02/05/626870205.db2.gz WOCNZGOTUSCXAE-JTQLQIEISA-N 0 3 277.343 2.716 20 30 CFEDHN COc1cc(F)ccc1N=NC1C[C@@H](C)N(C2CC2)C1 ZINC000761891219 626870815 /nfs/dbraw/zinc/87/08/15/626870815.db2.gz XHVFOUXIHOXKOV-SNVBAGLBSA-N 0 3 277.343 2.859 20 30 CFEDHN Cc1cc([C@H]2CCCN2C[C@@H](O)c2ccc(C#N)cc2)on1 ZINC000763395182 626985109 /nfs/dbraw/zinc/98/51/09/626985109.db2.gz CQPSNSYTFBGDBQ-HZPDHXFCSA-N 0 3 297.358 2.725 20 30 CFEDHN N#CC(C(=O)[C@H]1C[C@@]12CCOC2)c1ccc2ccccc2n1 ZINC000764756662 627090296 /nfs/dbraw/zinc/09/02/96/627090296.db2.gz AYCUOPJPHKTLSB-PMUMKWKESA-N 0 3 292.338 2.838 20 30 CFEDHN N#CC(C(=O)[C@@H]1C[C@]12CCOC2)c1ccc2ccccc2n1 ZINC000764756652 627090457 /nfs/dbraw/zinc/09/04/57/627090457.db2.gz AYCUOPJPHKTLSB-DEYYWGMASA-N 0 3 292.338 2.838 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccn(C)n2)c([O-])c1 ZINC000765498445 627143253 /nfs/dbraw/zinc/14/32/53/627143253.db2.gz CBUYHAXEUCBDAT-GZTJUZNOSA-N 0 3 286.379 2.591 20 30 CFEDHN CC#CCCOC(=O)C(C)(C)N(C)C1CCCC1 ZINC000765504393 627143524 /nfs/dbraw/zinc/14/35/24/627143524.db2.gz VZCSTAUKQSQWNT-UHFFFAOYSA-N 0 3 251.370 2.596 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cc(CC=C)cc(OC)c1O ZINC000766663432 627213488 /nfs/dbraw/zinc/21/34/88/627213488.db2.gz LNXHAMUZFXGYHE-LBPRGKRZSA-N 0 3 259.349 2.583 20 30 CFEDHN C#CCCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000766917284 627226891 /nfs/dbraw/zinc/22/68/91/627226891.db2.gz IQBAGUUBHZYJQV-UHFFFAOYSA-N 0 3 279.387 2.770 20 30 CFEDHN CCCCCCC[C@@H](C)NCc1cc(C(N)=O)no1 ZINC000768530079 627351121 /nfs/dbraw/zinc/35/11/21/627351121.db2.gz XMNZVTNPYGXPGT-LLVKDONJSA-N 0 3 267.373 2.612 20 30 CFEDHN C=CCN(Cc1ccccc1OCC(=O)N(C)C)C(C)C ZINC000768548015 627352941 /nfs/dbraw/zinc/35/29/41/627352941.db2.gz VBNJGFLQUMQQCK-UHFFFAOYSA-N 0 3 290.407 2.550 20 30 CFEDHN CC1(C)OC[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000851885785 634571594 /nfs/dbraw/zinc/57/15/94/634571594.db2.gz LTOIBRRKCBBCKU-KRWDZBQOSA-N 0 3 298.386 2.799 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000769412647 627436297 /nfs/dbraw/zinc/43/62/97/627436297.db2.gz ONKWUOQFZAMSDD-UHFFFAOYSA-N 0 3 298.430 2.759 20 30 CFEDHN C#CCN(Cc1cc2c(c(OC)c1)OCO2)C1CCCC1 ZINC000769529846 627452328 /nfs/dbraw/zinc/45/23/28/627452328.db2.gz GGCVZKAHXGUAAO-UHFFFAOYSA-N 0 3 287.359 2.802 20 30 CFEDHN C[C@H](C#N)CNN=Cc1ccc(N2CCCCC2)cc1 ZINC000771102754 627577391 /nfs/dbraw/zinc/57/73/91/627577391.db2.gz IRWMGQJZJFUZPE-CQSZACIVSA-N 0 3 270.380 2.760 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cc(Br)cc(OC)c1O ZINC000775179710 627998276 /nfs/dbraw/zinc/99/82/76/627998276.db2.gz PAKCGSWAAOPJHR-SECBINFHSA-N 0 3 298.180 2.617 20 30 CFEDHN C#C[C@H](N[C@H](CC)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000775571211 628039579 /nfs/dbraw/zinc/03/95/79/628039579.db2.gz CKTRCZNDZWSRPH-SQNIBIBYSA-N 0 3 286.419 2.974 20 30 CFEDHN C#C[C@H](N[C@H](CC)c1ccc(OC)cc1)[C@H]1CCCO1 ZINC000775572487 628040486 /nfs/dbraw/zinc/04/04/86/628040486.db2.gz BAEVINNJNQSADR-IXDOHACOSA-N 0 3 273.376 2.917 20 30 CFEDHN C#C[C@H](N[C@H]1CCc2cc(C)ccc21)[C@@H]1CCCO1 ZINC000775573915 628041372 /nfs/dbraw/zinc/04/13/72/628041372.db2.gz LHNRCHOBFJSYDH-ULQDDVLXSA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@@H]1CCc2cc(C)ccc21)[C@@H]1CCCO1 ZINC000775573913 628041700 /nfs/dbraw/zinc/04/17/00/628041700.db2.gz LHNRCHOBFJSYDH-BBWFWOEESA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@@H]1CCc2ccc(C)cc21)[C@@H]1CCCO1 ZINC000775574183 628042040 /nfs/dbraw/zinc/04/20/40/628042040.db2.gz OFLVHEKDLMECKM-BBWFWOEESA-N 0 3 255.361 2.753 20 30 CFEDHN C#C[C@H](N[C@@H]1Cc2ccc(Cl)cc2C1)[C@H]1CCCO1 ZINC000775575478 628042307 /nfs/dbraw/zinc/04/23/07/628042307.db2.gz XMHPDCBJPHRCSJ-OWCLPIDISA-N 0 3 275.779 2.578 20 30 CFEDHN N#CCNC(=O)CN[C@@H](c1ccccc1)C1CCCCC1 ZINC000776007065 628092908 /nfs/dbraw/zinc/09/29/08/628092908.db2.gz PSNZHNSAQKZFCF-KRWDZBQOSA-N 0 3 285.391 2.537 20 30 CFEDHN C#CCNC(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776006368 628093121 /nfs/dbraw/zinc/09/31/21/628093121.db2.gz MAWYBCDRLXXRQF-GOSISDBHSA-N 0 3 284.403 2.647 20 30 CFEDHN C=C(Cl)CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000776079661 628099859 /nfs/dbraw/zinc/09/98/59/628099859.db2.gz DGOPASZLFHMXDX-CYBMUJFWSA-N 0 3 295.814 2.559 20 30 CFEDHN CN(C)c1ccncc1C=NOCc1ccccc1 ZINC000776184872 628113100 /nfs/dbraw/zinc/11/31/00/628113100.db2.gz AFYAAHLAYCIXBA-UHFFFAOYSA-N 0 3 255.321 2.698 20 30 CFEDHN CC(C)(C#N)CCN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737082 628250411 /nfs/dbraw/zinc/25/04/11/628250411.db2.gz JGQWDNRTSRPRPL-INIZCTEOSA-N 0 3 276.355 2.659 20 30 CFEDHN CC(C)N1CC(N=Nc2cc(Cl)ccn2)[C@@H](C)C1 ZINC000777905924 628264123 /nfs/dbraw/zinc/26/41/23/628264123.db2.gz CFYZNZSZNXLIHM-JTQLQIEISA-N 0 3 266.776 2.863 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@](C)(O)C(C)C ZINC000778169772 628282826 /nfs/dbraw/zinc/28/28/26/628282826.db2.gz BVRRDCVMMXCVFL-INIZCTEOSA-N 0 3 295.810 2.849 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N(Cc1ccccc1)C(C)C ZINC000852096990 634651022 /nfs/dbraw/zinc/65/10/22/634651022.db2.gz HZLNUUDNFHXOIW-SFHVURJKSA-N 0 3 286.419 2.815 20 30 CFEDHN CN(C1CCCC1)C(C)(C)C(=O)OCC1(C#N)CCC1 ZINC000778726211 628327854 /nfs/dbraw/zinc/32/78/54/628327854.db2.gz NGWFJWZKWBQTHP-UHFFFAOYSA-N 0 3 278.396 2.876 20 30 CFEDHN C=C(Cl)COC(=O)C(C)(C)N(C)C1CCCC1 ZINC000779123085 628353775 /nfs/dbraw/zinc/35/37/75/628353775.db2.gz VIUYFIFZNUBSJE-UHFFFAOYSA-N 0 3 259.777 2.935 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc3n[nH]cc3c2)CN1C1CC1 ZINC000779817104 628410278 /nfs/dbraw/zinc/41/02/78/628410278.db2.gz BVUKCRNJKVOOPT-SNVBAGLBSA-N 0 3 269.352 2.587 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000852103718 634658578 /nfs/dbraw/zinc/65/85/78/634658578.db2.gz PCIXNDCJYCKMFD-WFASDCNBSA-N 0 3 279.405 2.543 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000781424837 628547766 /nfs/dbraw/zinc/54/77/66/628547766.db2.gz ZUELCFILIVDMME-NSHDSACASA-N 0 3 262.353 2.714 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)[C@H]1CCSC1 ZINC000782186678 628611578 /nfs/dbraw/zinc/61/15/78/628611578.db2.gz ZHHFTBFAOKZKFC-LLVKDONJSA-N 0 3 258.350 2.532 20 30 CFEDHN COc1ccc(N=NC2C[C@H](C)N(C)C2)cc1Cl ZINC000782231750 628617818 /nfs/dbraw/zinc/61/78/18/628617818.db2.gz XTXHPXJBCOFSCE-VIFPVBQESA-N 0 3 267.760 2.841 20 30 CFEDHN COC(=O)c1ccc(N=NC2C[C@H](C)N(C)C2)cc1Cl ZINC000782238497 628618427 /nfs/dbraw/zinc/61/84/27/628618427.db2.gz PLQVDCMIPKEWDI-VIFPVBQESA-N 0 3 295.770 2.619 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000783598895 628725378 /nfs/dbraw/zinc/72/53/78/628725378.db2.gz DPBWXSOKOHTCMH-CQSZACIVSA-N 0 3 286.375 2.590 20 30 CFEDHN C=C(C)CNCc1cc2ccccc2nc1N1CCOCC1 ZINC000783754371 628741524 /nfs/dbraw/zinc/74/15/24/628741524.db2.gz QZLDUKNTTHBRJF-UHFFFAOYSA-N 0 3 297.402 2.737 20 30 CFEDHN C#CCCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785708863 628907385 /nfs/dbraw/zinc/90/73/85/628907385.db2.gz JROSFZOBGQPFMP-UHFFFAOYSA-N 0 3 271.360 2.853 20 30 CFEDHN CC[C@@H](C)N(CCO)Cc1cc(Cl)ccc1OCC#N ZINC000805789351 628919076 /nfs/dbraw/zinc/91/90/76/628919076.db2.gz BJJBUCYWGCHLIJ-GFCCVEGCSA-N 0 3 296.798 2.835 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000785998265 628929788 /nfs/dbraw/zinc/92/97/88/628929788.db2.gz BDMFAKKPTCZKEE-HOTGVXAUSA-N 0 3 256.349 2.632 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC(C)(C)C ZINC000787074326 628991512 /nfs/dbraw/zinc/99/15/12/628991512.db2.gz YEYVDTVHLCNLOI-CQSZACIVSA-N 0 3 286.375 2.790 20 30 CFEDHN C#CCC1(C(=O)N(C)CCN2CCCC2)CCCCC1 ZINC000788209549 629050955 /nfs/dbraw/zinc/05/09/55/629050955.db2.gz SSROGBIPIPRXKG-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC[C@H](C)O ZINC000788524401 629078687 /nfs/dbraw/zinc/07/86/87/629078687.db2.gz MXQPXTMPKJJXGO-LBPRGKRZSA-N 0 3 281.783 2.603 20 30 CFEDHN C#CC[C@@H](OC(=O)C1CCN(C2CC2)CC1)c1ccccn1 ZINC000805874196 629098520 /nfs/dbraw/zinc/09/85/20/629098520.db2.gz FBNLIUOYWBMMQA-QGZVFWFLSA-N 0 3 298.386 2.564 20 30 CFEDHN C#C[C@H](Cc1ccccc1)OC(=O)C1CCN(C2CC2)CC1 ZINC000805900318 629176541 /nfs/dbraw/zinc/17/65/41/629176541.db2.gz MCICWUKURCJXSM-GOSISDBHSA-N 0 3 297.398 2.649 20 30 CFEDHN COc1ccc2c(c1)C(C)(C)CC2=N[N-]c1[nH+]ccn1C ZINC000790301954 629228448 /nfs/dbraw/zinc/22/84/48/629228448.db2.gz LGNRYSKXFQJJNI-UHFFFAOYSA-N 0 3 284.363 2.926 20 30 CFEDHN C#C[C@H](NCCSCc1ccccc1)[C@@H]1CCCO1 ZINC000790338157 629233558 /nfs/dbraw/zinc/23/35/58/629233558.db2.gz DSBJAZYMCBGNIC-HOTGVXAUSA-N 0 3 275.417 2.690 20 30 CFEDHN Cc1cc(C)cc([C@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000852319061 634720216 /nfs/dbraw/zinc/72/02/16/634720216.db2.gz GHCSMHJIPBDFDV-NVXWUHKLSA-N 0 3 272.392 2.963 20 30 CFEDHN C=CCN(C(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000790888656 629270202 /nfs/dbraw/zinc/27/02/02/629270202.db2.gz OSZWRWNFLGGZKK-AWEZNQCLSA-N 0 3 281.444 2.713 20 30 CFEDHN CCCCCCCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000791586862 629336621 /nfs/dbraw/zinc/33/66/21/629336621.db2.gz ZJBXKARZDKVPSQ-GJZGRUSLSA-N 0 3 255.402 2.837 20 30 CFEDHN COC(C)(C)C(=O)C(C#N)c1nccc2ccccc21 ZINC000792101584 629397046 /nfs/dbraw/zinc/39/70/46/629397046.db2.gz BLIAKRSPORNOKB-CYBMUJFWSA-N 0 3 268.316 2.836 20 30 CFEDHN C#CCN(C)CC1(COc2cccc(COC)c2)CCC1 ZINC000792302189 629419428 /nfs/dbraw/zinc/41/94/28/629419428.db2.gz PPBFTPWGDDVHBB-UHFFFAOYSA-N 0 3 287.403 2.947 20 30 CFEDHN CCC#C[C@H](C)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792384166 629423556 /nfs/dbraw/zinc/42/35/56/629423556.db2.gz GHQCEFMBCJGLDI-ZDUSSCGKSA-N 0 3 276.355 2.866 20 30 CFEDHN C#CCNC(=O)CN(CC(C)C)[C@H](C)c1ccccc1C ZINC000792929437 629467535 /nfs/dbraw/zinc/46/75/35/629467535.db2.gz YFHNFNNPYNIRLE-MRXNPFEDSA-N 0 3 286.419 2.763 20 30 CFEDHN Cn1ccnc1NN=C1CCCCc2cc(C#N)ccc21 ZINC000794859084 629696749 /nfs/dbraw/zinc/69/67/49/629696749.db2.gz ICQAANLRWOULMX-UHFFFAOYSA-N 0 3 279.347 2.834 20 30 CFEDHN COCCCON=C(C)c1ccc(N(C)C)cc1 ZINC000795048060 629729182 /nfs/dbraw/zinc/72/91/82/629729182.db2.gz FXGCDQXGEQEEME-UHFFFAOYSA-N 0 3 250.342 2.530 20 30 CFEDHN C#CCSCCNCc1cc(C(=O)OC)ccc1Cl ZINC000795939055 629852919 /nfs/dbraw/zinc/85/29/19/629852919.db2.gz MPBOKSXPSMCYRW-UHFFFAOYSA-N 0 3 297.807 2.583 20 30 CFEDHN CC[C@@H](C)CCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000796780493 629965502 /nfs/dbraw/zinc/96/55/02/629965502.db2.gz TVZACNHCUCJQON-UKRRQHHQSA-N 0 3 286.375 2.838 20 30 CFEDHN COc1cc(CNCc2ccc3c(c2)CCO3)ccc1C#N ZINC000799337246 630300364 /nfs/dbraw/zinc/30/03/64/630300364.db2.gz VGPZFXFGOLOCMM-UHFFFAOYSA-N 0 3 294.354 2.792 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cnnn1-c1ccccc1 ZINC000852687370 634807467 /nfs/dbraw/zinc/80/74/67/634807467.db2.gz JIYFJZVUGNHDFK-IYBDPMFKSA-N 0 3 280.375 2.950 20 30 CFEDHN CC(C)CCCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553506 630457192 /nfs/dbraw/zinc/45/71/92/630457192.db2.gz XORJFWFSZRQUOA-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C[C@H](C#N)OCCN(C)CCOc1ccccc1Cl ZINC000801909698 630484979 /nfs/dbraw/zinc/48/49/79/630484979.db2.gz FNYMPWCKGZJWRI-GFCCVEGCSA-N 0 3 282.771 2.579 20 30 CFEDHN C[C@H](C#N)OCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000801912454 630486160 /nfs/dbraw/zinc/48/61/60/630486160.db2.gz RKBLVCHNBDMEQD-ZIAGYGMSSA-N 0 3 294.420 2.658 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(OCC2CCCCC2)CC1 ZINC000801923660 630488824 /nfs/dbraw/zinc/48/88/24/630488824.db2.gz LXUQZOLKICVWRI-OAHLLOKOSA-N 0 3 294.439 2.976 20 30 CFEDHN CCc1nc2c(s1)[C@@H](N(C)CCO[C@H](C)C#N)CCC2 ZINC000801934482 630490927 /nfs/dbraw/zinc/49/09/27/630490927.db2.gz MTTCUYOHYUNHPE-YPMHNXCESA-N 0 3 293.436 2.943 20 30 CFEDHN CC(C)Oc1cccc(CN(C)CCO[C@@H](C)C#N)c1 ZINC000801936451 630491845 /nfs/dbraw/zinc/49/18/45/630491845.db2.gz PTMPKSHRLCXQEB-AWEZNQCLSA-N 0 3 276.380 2.834 20 30 CFEDHN COc1ccc(C)cc1[C@@H](C)NCCO[C@@H](C)C#N ZINC000801937913 630492239 /nfs/dbraw/zinc/49/22/39/630492239.db2.gz XVWANPJVWTVPDP-QWHCGFSZSA-N 0 3 262.353 2.583 20 30 CFEDHN Cc1nn(-c2ccccc2)c(N)c1C=NNCC1CCCC1 ZINC000808005301 630939562 /nfs/dbraw/zinc/93/95/62/630939562.db2.gz BFMGHPJPMIKWSK-UHFFFAOYSA-N 0 3 297.406 2.877 20 30 CFEDHN O=C(C#CC1CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000837390768 631018818 /nfs/dbraw/zinc/01/88/18/631018818.db2.gz KNDOAXBLPMYNBM-GOSISDBHSA-N 0 3 296.414 2.743 20 30 CFEDHN C#CCCCCC(=O)OCCN(C)Cc1ccccc1 ZINC000837610566 631084639 /nfs/dbraw/zinc/08/46/39/631084639.db2.gz DBDBCKZRTNXRKP-UHFFFAOYSA-N 0 3 273.376 2.855 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)OCCN(C)Cc1ccccc1 ZINC000837722496 631115723 /nfs/dbraw/zinc/11/57/23/631115723.db2.gz PLVVVVWLAVLDFJ-INIZCTEOSA-N 0 3 274.364 2.601 20 30 CFEDHN CN(CCc1cccc2ccccc21)C[C@H](O)CC#N ZINC000809573091 631237313 /nfs/dbraw/zinc/23/73/13/631237313.db2.gz CSTCANWJNUFKMJ-MRXNPFEDSA-N 0 3 268.360 2.589 20 30 CFEDHN C#Cc1ccc(CNCc2cnc3c(c2)c(C)nn3C)cc1 ZINC000809612913 631247068 /nfs/dbraw/zinc/24/70/68/631247068.db2.gz FHDOMMFDXQHYTJ-UHFFFAOYSA-N 0 3 290.370 2.548 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000809683471 631261650 /nfs/dbraw/zinc/26/16/50/631261650.db2.gz CLEDQRILUWBBQN-QWHCGFSZSA-N 0 3 261.365 2.984 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(CC)C[C@H]2C)cc1 ZINC000809697542 631267113 /nfs/dbraw/zinc/26/71/13/631267113.db2.gz ITZBRPSEEKJNJS-MRXNPFEDSA-N 0 3 286.419 2.615 20 30 CFEDHN C#C[C@H](NCc1cnc2cccc(C)n12)C(C)(C)C ZINC000809782262 631287555 /nfs/dbraw/zinc/28/75/55/631287555.db2.gz MNSKKPCCDRZEAX-AWEZNQCLSA-N 0 3 255.365 2.780 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC000810013631 631314718 /nfs/dbraw/zinc/31/47/18/631314718.db2.gz JGZZLFSFMQFTQU-KRWDZBQOSA-N 0 3 288.366 2.819 20 30 CFEDHN CC#CCCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033897 631317302 /nfs/dbraw/zinc/31/73/02/631317302.db2.gz KFXAWARMZGRCOY-MRXNPFEDSA-N 0 3 292.423 2.923 20 30 CFEDHN Cc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc(N)n1 ZINC000842050827 631514282 /nfs/dbraw/zinc/51/42/82/631514282.db2.gz YGLRBGQDJAPZSC-CQSZACIVSA-N 0 3 279.347 2.728 20 30 CFEDHN N#CCc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000842886598 631773218 /nfs/dbraw/zinc/77/32/18/631773218.db2.gz FUBCJFGFNOMWAZ-OAHLLOKOSA-N 0 3 266.348 2.643 20 30 CFEDHN CC[C@@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211633 631881747 /nfs/dbraw/zinc/88/17/47/631881747.db2.gz NRCFBHVSLMCQOH-GXSJLCMTSA-N 0 3 286.253 2.702 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2nn(C)c3ccccc23)C1 ZINC000843423492 631952332 /nfs/dbraw/zinc/95/23/32/631952332.db2.gz FQWYLUFRVRWTLN-CQSZACIVSA-N 0 3 267.376 2.809 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cnc3c(C)cccn23)C1 ZINC000843424395 631953688 /nfs/dbraw/zinc/95/36/88/631953688.db2.gz SYWXBIKQJUFOML-OAHLLOKOSA-N 0 3 267.376 2.878 20 30 CFEDHN C#CC1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000843427050 631954322 /nfs/dbraw/zinc/95/43/22/631954322.db2.gz SGEOPYLPJSKYOS-UHFFFAOYSA-N 0 3 271.408 2.771 20 30 CFEDHN CCCN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCN(C)C1 ZINC000843991088 632088907 /nfs/dbraw/zinc/08/89/07/632088907.db2.gz IGNJTTVMYHTTDU-IJDCCNJMSA-N 0 3 297.402 2.514 20 30 CFEDHN C#C[C@H](NCCO[C@@H](CC)c1ccccc1)[C@H]1CCCO1 ZINC000844322749 632169713 /nfs/dbraw/zinc/16/97/13/632169713.db2.gz PDFBCAMMBWZPHM-OKZBNKHCSA-N 0 3 287.403 2.925 20 30 CFEDHN CC[C@@H](NCCOCCC#N)c1ccccc1OC ZINC000815081752 632198281 /nfs/dbraw/zinc/19/82/81/632198281.db2.gz NCUNCGOEHAVFPQ-CQSZACIVSA-N 0 3 262.353 2.666 20 30 CFEDHN C#CCN(Cc1ccccc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000815116899 632204682 /nfs/dbraw/zinc/20/46/82/632204682.db2.gz FHAXOHAIVOAQME-LJQANCHMSA-N 0 3 297.373 2.865 20 30 CFEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1ccnc1 ZINC000845445050 632436158 /nfs/dbraw/zinc/43/61/58/632436158.db2.gz FUYWSPRKTANECS-NEPJUHHUSA-N 0 3 294.314 2.852 20 30 CFEDHN C#CCOc1ccccc1CN1CCCO[C@@H](C(C)C)C1 ZINC000816675820 632509715 /nfs/dbraw/zinc/50/97/15/632509715.db2.gz MCPUZASGKKUVOO-GOSISDBHSA-N 0 3 287.403 2.946 20 30 CFEDHN C#Cc1ccccc1CC(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845727768 632535121 /nfs/dbraw/zinc/53/51/21/632535121.db2.gz DFWFZCVFEHKZDE-INIZCTEOSA-N 0 3 285.387 2.626 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000846116371 632637769 /nfs/dbraw/zinc/63/77/69/632637769.db2.gz GLVLCQPRGUNZKD-OAHLLOKOSA-N 0 3 277.314 2.930 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CNCCC1(F)F ZINC000817979912 632776766 /nfs/dbraw/zinc/77/67/66/632776766.db2.gz FYZSFLMEIHZAIT-HUUCEWRRSA-N 0 3 291.345 2.522 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000818595710 632875881 /nfs/dbraw/zinc/87/58/81/632875881.db2.gz KPQJIFJTDLEVCC-GVDBMIGSSA-N 0 3 290.451 2.664 20 30 CFEDHN C#C[C@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 ZINC000847020216 632885326 /nfs/dbraw/zinc/88/53/26/632885326.db2.gz ADZPWYRDPSHCOS-ZDUSSCGKSA-N 0 3 259.324 2.744 20 30 CFEDHN C#C[C@@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000847021881 632887578 /nfs/dbraw/zinc/88/75/78/632887578.db2.gz CNEIGUMRWXDVLV-IAGOWNOFSA-N 0 3 298.430 2.687 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000847033588 632898600 /nfs/dbraw/zinc/89/86/00/632898600.db2.gz YWPNXZVCCOBGOT-CYBMUJFWSA-N 0 3 297.354 2.647 20 30 CFEDHN CCc1ccc([C@H](O)CNCC#Cc2ccccc2)cc1 ZINC000818946071 632912450 /nfs/dbraw/zinc/91/24/50/632912450.db2.gz XLIOMIMYZMFHKU-LJQANCHMSA-N 0 3 279.383 2.924 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCCSc1nccs1 ZINC000819064043 632948688 /nfs/dbraw/zinc/94/86/88/632948688.db2.gz SUCSFCOGWVSGII-NSHDSACASA-N 0 3 280.422 2.658 20 30 CFEDHN C=CCN1CCC(NC(=O)CCC[Si](C)(C)C)CC1 ZINC000847451982 632989641 /nfs/dbraw/zinc/98/96/41/632989641.db2.gz PBRHPLNZCDLKKS-UHFFFAOYSA-N 0 3 282.504 2.871 20 30 CFEDHN N#CC1(COC(=O)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000847745992 633067176 /nfs/dbraw/zinc/06/71/76/633067176.db2.gz VBVSAXLGKAOEAS-UHFFFAOYSA-N 0 3 298.386 2.746 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000848397079 633247886 /nfs/dbraw/zinc/24/78/86/633247886.db2.gz ZJSBXDMDKATJCZ-CQSZACIVSA-N 0 3 289.354 2.516 20 30 CFEDHN Cc1cccnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848409172 633251070 /nfs/dbraw/zinc/25/10/70/633251070.db2.gz OJSMYKSROPYLQV-CQSZACIVSA-N 0 3 258.369 2.806 20 30 CFEDHN CC(C)(C#N)c1ccc(CNC2COC(C)(C)OC2)cc1 ZINC000848547173 633285546 /nfs/dbraw/zinc/28/55/46/633285546.db2.gz LFVQVNCVPDWVHJ-UHFFFAOYSA-N 0 3 288.391 2.729 20 30 CFEDHN C=CCN(Cc1ccc(/C=C\C(=O)OC)o1)C(C)C ZINC000848881561 633356012 /nfs/dbraw/zinc/35/60/12/633356012.db2.gz HOXJDBGMBDBQID-HJWRWDBZSA-N 0 3 263.337 2.862 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000848923988 633406010 /nfs/dbraw/zinc/40/60/10/633406010.db2.gz ULWNRLOEIPPBQR-CYBMUJFWSA-N 0 3 259.349 2.549 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](C#C)C1 ZINC000848923550 633406416 /nfs/dbraw/zinc/40/64/16/633406416.db2.gz NCATUOHJOIKVRB-OAHLLOKOSA-N 0 3 253.345 2.544 20 30 CFEDHN C#C[C@H]1CCCN(CC2=Cc3ccccc3OC2)C1 ZINC000848923718 633406752 /nfs/dbraw/zinc/40/67/52/633406752.db2.gz IXILKBPNTRGOFU-AWEZNQCLSA-N 0 3 253.345 2.808 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(OC)c(OC)c2C)C1 ZINC000848924119 633408085 /nfs/dbraw/zinc/40/80/85/633408085.db2.gz OERJQHQDBNLUHY-AWEZNQCLSA-N 0 3 273.376 2.857 20 30 CFEDHN C=CCCNCc1c(C)nn(-c2ccccn2)c1Cl ZINC000850354612 633951557 /nfs/dbraw/zinc/95/15/57/633951557.db2.gz PXPZTTMVEWQJOL-UHFFFAOYSA-N 0 3 276.771 2.895 20 30 CFEDHN C=CCCSCCNCc1ncc(CN(C)C)s1 ZINC000850354259 633952023 /nfs/dbraw/zinc/95/20/23/633952023.db2.gz BQIDHPSMOZREBR-UHFFFAOYSA-N 0 3 285.482 2.604 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCC[C@H]2Cc2ccccn2)n1 ZINC000850387776 633971000 /nfs/dbraw/zinc/97/10/00/633971000.db2.gz ZSJOXENJRAFPMX-SWLSCSKDSA-N 0 3 298.415 2.911 20 30 CFEDHN C[C@@H](N[C@H]1CCCn2nccc21)c1ccc(OCC#N)cc1 ZINC000850443367 633995345 /nfs/dbraw/zinc/99/53/45/633995345.db2.gz QNKPOIFTQCPFRT-CJNGLKHVSA-N 0 3 296.374 2.971 20 30 CFEDHN N#CC(C(=O)C1CC2(CC2(F)F)C1)c1ccccn1 ZINC000850755916 634080787 /nfs/dbraw/zinc/08/07/87/634080787.db2.gz KHFATYQTKPDWGQ-QUNCOHTASA-N 0 3 262.259 2.693 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)CC#N)nc21 ZINC000850850331 634110151 /nfs/dbraw/zinc/11/01/51/634110151.db2.gz UTSFCIUQRKPDKT-QWRGUYRKSA-N 0 3 266.304 2.597 20 30 CFEDHN Cc1ncc(C=NNc2cc(C(F)(F)F)ccn2)n1C ZINC000853353143 634981536 /nfs/dbraw/zinc/98/15/36/634981536.db2.gz RSNTYQCKNCIFNG-UHFFFAOYSA-N 0 3 283.257 2.588 20 30 CFEDHN C=CC1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000111256920 634983065 /nfs/dbraw/zinc/98/30/65/634983065.db2.gz GHSNZRAFFYXZNV-OAHLLOKOSA-N 0 3 267.319 2.896 20 30 CFEDHN CC(C)N1CC(N=Nc2ccc(Cl)cn2)[C@H](C)C1 ZINC000853437212 634998889 /nfs/dbraw/zinc/99/88/89/634998889.db2.gz GADBBPYGQKTYIE-SNVBAGLBSA-N 0 3 266.776 2.863 20 30 CFEDHN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000114617591 635866725 /nfs/dbraw/zinc/86/67/25/635866725.db2.gz IYXPBINWALDCKN-GXTWGEPZSA-N 0 3 276.380 2.534 20 30 CFEDHN C=CCCSCCN[C@H]1CCCc2c[nH]nc21 ZINC000857873568 636044097 /nfs/dbraw/zinc/04/40/97/636044097.db2.gz ZMUUTSXKUPCWFA-LBPRGKRZSA-N 0 3 251.399 2.686 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cccc2c1OC(F)(F)O2 ZINC000858334238 636194767 /nfs/dbraw/zinc/19/47/67/636194767.db2.gz JWZGNQQPOINUIZ-GFCCVEGCSA-N 0 3 297.301 2.526 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(Cl)c(C)c1 ZINC000858335190 636195715 /nfs/dbraw/zinc/19/57/15/636195715.db2.gz NKNJHEGGOVZLBA-ZDUSSCGKSA-N 0 3 251.757 2.776 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CC)c1cc(C)ccc1C ZINC000858404804 636222704 /nfs/dbraw/zinc/22/27/04/636222704.db2.gz XDVDWEDRWSFAND-INIZCTEOSA-N 0 3 295.448 2.945 20 30 CFEDHN C[C@H](NCc1ccc[nH]c1=O)c1ccc(OCC#N)cc1 ZINC000858562059 636294077 /nfs/dbraw/zinc/29/40/77/636294077.db2.gz BNSAATOBIZWVED-LBPRGKRZSA-N 0 3 283.331 2.540 20 30 CFEDHN CC[C@H](CC#N)NCCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859328814 636544359 /nfs/dbraw/zinc/54/43/59/636544359.db2.gz KLIFBAMLDJRTFD-CYBMUJFWSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCN[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000859846967 636723089 /nfs/dbraw/zinc/72/30/89/636723089.db2.gz ODXVXFPOWVZOEW-CYBMUJFWSA-N 0 3 271.191 2.819 20 30 CFEDHN C[C@H](CN(C)[C@@H](C)CCC#N)NC(=O)OC(C)(C)C ZINC000860097400 636785805 /nfs/dbraw/zinc/78/58/05/636785805.db2.gz SVBYZYQXSSUIAJ-NEPJUHHUSA-N 0 3 269.389 2.524 20 30 CFEDHN N#CC(C(=O)CC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000117531602 636896045 /nfs/dbraw/zinc/89/60/45/636896045.db2.gz ZEDJSFFQLBVJLS-GFCCVEGCSA-N 0 3 283.331 2.556 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@H]2CCCC2(C)C)CC1 ZINC000862363772 637336555 /nfs/dbraw/zinc/33/65/55/637336555.db2.gz UFODNRNLKVYGIH-MRXNPFEDSA-N 0 3 290.451 2.664 20 30 CFEDHN C#CC[C@H]1CCN(Cc2ccnn2CCc2ccccc2)C1 ZINC000862447254 637388060 /nfs/dbraw/zinc/38/80/60/637388060.db2.gz KOLGOCSGGIFVTL-SFHVURJKSA-N 0 3 293.414 2.971 20 30 CFEDHN COC1CCC(C=Nn2cnnc2-c2ccccc2)CC1 ZINC000863078620 637550307 /nfs/dbraw/zinc/55/03/07/637550307.db2.gz YMVBEEDLPIJWSM-UHFFFAOYSA-N 0 3 284.363 2.984 20 30 CFEDHN CCc1noc(C)c1C(C)=NNc1ccnc(C)c1 ZINC000863159644 637573843 /nfs/dbraw/zinc/57/38/43/637573843.db2.gz YNYIQZCESCVZNT-UHFFFAOYSA-N 0 3 258.325 2.507 20 30 CFEDHN C#CCOc1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000077012448 650412895 /nfs/dbraw/zinc/41/28/95/650412895.db2.gz BLJNJWXISZPYLY-UHFFFAOYSA-N 0 3 295.382 2.693 20 30 CFEDHN C=CCOCCNCc1cc(F)cc(OCC)c1 ZINC000865523478 638394650 /nfs/dbraw/zinc/39/46/50/638394650.db2.gz CCHFMPZDMLBWMD-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCC(C)(C)CC#N ZINC000865599187 638450043 /nfs/dbraw/zinc/45/00/43/638450043.db2.gz DZNPMGAIOVJOCE-UHFFFAOYSA-N 0 3 270.380 2.654 20 30 CFEDHN CCc1cnc(CN[C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000865847576 638610202 /nfs/dbraw/zinc/61/02/02/638610202.db2.gz NUTFEINTGRFUPE-AWEZNQCLSA-N 0 3 283.400 2.834 20 30 CFEDHN N#Cc1ccc2c(c1)C[C@H](NCc1nc3c(s1)CCC3)C2 ZINC000865847194 638610644 /nfs/dbraw/zinc/61/06/44/638610644.db2.gz AIGHFWIFJRMBTK-CQSZACIVSA-N 0 3 295.411 2.760 20 30 CFEDHN COCc1ccc(CN[C@@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000865849458 638612313 /nfs/dbraw/zinc/61/23/13/638612313.db2.gz VBTCXAYMGYATHU-OAHLLOKOSA-N 0 3 282.343 2.555 20 30 CFEDHN CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866240770 638777692 /nfs/dbraw/zinc/77/76/92/638777692.db2.gz MXOWORAYVASSGI-ZIAGYGMSSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@H](N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccc(C#N)cc1F ZINC000866445813 638822924 /nfs/dbraw/zinc/82/29/24/638822924.db2.gz SEBWBTODPWRTRI-RHXGIMGWSA-N 0 3 286.350 2.771 20 30 CFEDHN C[C@H](NC1CCN(c2ccccc2C#N)CC1)c1ncc[nH]1 ZINC000866448705 638823965 /nfs/dbraw/zinc/82/39/65/638823965.db2.gz KDDZTCGHIYVPEA-ZDUSSCGKSA-N 0 3 295.390 2.601 20 30 CFEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1cccs1 ZINC000121862262 638900165 /nfs/dbraw/zinc/90/01/65/638900165.db2.gz CWJYGKIGJXXJND-QWRGUYRKSA-N 0 3 299.355 2.594 20 30 CFEDHN CC1(C)Cc2ccc(C(=O)C(C#N)c3ccncn3)cc2O1 ZINC000870286835 639581318 /nfs/dbraw/zinc/58/13/18/639581318.db2.gz DKZJVSZORKKXNC-CYBMUJFWSA-N 0 3 293.326 2.680 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cccc3c2CCC3)CC1 ZINC001006464421 650552237 /nfs/dbraw/zinc/55/22/37/650552237.db2.gz GBWMRMFABMBBGN-UHFFFAOYSA-N 0 3 298.430 2.898 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000870908770 641117176 /nfs/dbraw/zinc/11/71/76/641117176.db2.gz XNURXULRIKKWBD-SFHVURJKSA-N 0 3 298.430 2.879 20 30 CFEDHN CCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)s1 ZINC000193529374 650666240 /nfs/dbraw/zinc/66/62/40/650666240.db2.gz UEXLHHUQPCJUTG-LLVKDONJSA-N 0 3 299.355 2.667 20 30 CFEDHN C#C[C@H]1CC[C@H]([NH2+][C@@H](c2cccs2)c2nnc[n-]2)CC1 ZINC000872139143 641666873 /nfs/dbraw/zinc/66/68/73/641666873.db2.gz GUYZUNJZEKCHEX-OBJOEFQTSA-N 0 3 286.404 2.737 20 30 CFEDHN CC(C)(C)c1ccc(CNC[C@@H](O)CC2(C#N)CC2)o1 ZINC000872234686 641711627 /nfs/dbraw/zinc/71/16/27/641711627.db2.gz WUCSYTQRGHJEGT-LBPRGKRZSA-N 0 3 276.380 2.721 20 30 CFEDHN Clc1cccc(C#CCN[C@]23CCC[C@H]2OCC3)c1 ZINC000872314693 641752590 /nfs/dbraw/zinc/75/25/90/641752590.db2.gz BWYMYMWGASFISH-CVEARBPZSA-N 0 3 275.779 2.993 20 30 CFEDHN C=CC[C@H]1CCCN(CN2CCC3(CCC3)C2=O)C1 ZINC000872623468 641879156 /nfs/dbraw/zinc/87/91/56/641879156.db2.gz BQTUPHYQCJTTFL-AWEZNQCLSA-N 0 3 262.397 2.635 20 30 CFEDHN CCCCCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000875765638 642683354 /nfs/dbraw/zinc/68/33/54/642683354.db2.gz UTGHJMPVOTVNGY-OAHLLOKOSA-N 0 3 281.444 2.835 20 30 CFEDHN C=CCN(CC=C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876526654 642905253 /nfs/dbraw/zinc/90/52/53/642905253.db2.gz ZSXYVYRRSBHYOW-UHFFFAOYSA-N 0 3 286.419 2.822 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](CC)CCCC ZINC000876544129 642912302 /nfs/dbraw/zinc/91/23/02/642912302.db2.gz NXSRXEOEIFSUGX-RYUDHWBXSA-N 0 3 260.809 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(CC)cc1 ZINC000876546924 642915089 /nfs/dbraw/zinc/91/50/89/642915089.db2.gz APGJHIRDCXSFMC-LBPRGKRZSA-N 0 3 252.745 2.657 20 30 CFEDHN C#CCCCCCCN1CCN(Cc2ccccn2)CC1 ZINC000876553787 642919279 /nfs/dbraw/zinc/91/92/79/642919279.db2.gz YAPNXCIVMYYKCO-UHFFFAOYSA-N 0 3 285.435 2.783 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CC)c1ccc(OC)cc1 ZINC000876561057 642922879 /nfs/dbraw/zinc/92/28/79/642922879.db2.gz IZILUBALQJFOOR-UONOGXRCSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC000876561102 642923058 /nfs/dbraw/zinc/92/30/58/642923058.db2.gz LKEKIJWDCMZFKT-IINYFYTJSA-N 0 3 278.783 2.602 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccs1 ZINC000876562463 642924382 /nfs/dbraw/zinc/92/43/82/642924382.db2.gz QPOOEOMNDAGNGS-QWRGUYRKSA-N 0 3 284.812 2.882 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000876564784 642925204 /nfs/dbraw/zinc/92/52/04/642925204.db2.gz CZUOYZDVVKHLSM-ZIAGYGMSSA-N 0 3 280.799 2.970 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000876568258 642927474 /nfs/dbraw/zinc/92/74/74/642927474.db2.gz HCACUTCMRBMGBF-DGAVXFQQSA-N 0 3 284.831 2.931 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(SC)cc1 ZINC000876567257 642927760 /nfs/dbraw/zinc/92/77/60/642927760.db2.gz GUCHBTVVCJJIDC-LLVKDONJSA-N 0 3 270.785 2.817 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000876571146 642928415 /nfs/dbraw/zinc/92/84/15/642928415.db2.gz HAOAYTMJIVAWLQ-UONOGXRCSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)c1ccc(OC)cc1 ZINC000876576514 642931418 /nfs/dbraw/zinc/93/14/18/642931418.db2.gz IJIVMWSJUSBJBC-RISCZKNCSA-N 0 3 296.798 2.685 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(OC(C)C)c1 ZINC000876578739 642932019 /nfs/dbraw/zinc/93/20/19/642932019.db2.gz ZEIKOYOWDGYJAF-AWEZNQCLSA-N 0 3 296.798 2.560 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCc2ccccc21 ZINC000876597811 642939572 /nfs/dbraw/zinc/93/95/72/642939572.db2.gz UEBKFBGPQXZJNK-HIFRSBDPSA-N 0 3 292.810 2.693 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc2oc(CC)nc2c1 ZINC000876598799 642939904 /nfs/dbraw/zinc/93/99/04/642939904.db2.gz PTYXWWMWCJSGOT-SNVBAGLBSA-N 0 3 293.754 2.799 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1cccc(OCC)c1 ZINC000876613832 642945064 /nfs/dbraw/zinc/94/50/64/642945064.db2.gz VLKLBAXTKNPPES-RISCZKNCSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCC(C)(C)c1ccccc1 ZINC000876619576 642948299 /nfs/dbraw/zinc/94/82/99/642948299.db2.gz BQHRVENLJVXFCI-CQSZACIVSA-N 0 3 294.826 2.940 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000876618937 642948324 /nfs/dbraw/zinc/94/83/24/642948324.db2.gz JOJUJWYURZCYFJ-RNCFNFMXSA-N 0 3 284.762 2.515 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C(C)(C)c1ccccc1 ZINC000876637599 642953689 /nfs/dbraw/zinc/95/36/89/642953689.db2.gz PTIIAQRLXFYWED-TZMCWYRMSA-N 0 3 294.826 2.939 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2C)CC1 ZINC000876641350 642954521 /nfs/dbraw/zinc/95/45/21/642954521.db2.gz MKPRXKDULPUZGC-CQSZACIVSA-N 0 3 292.810 2.613 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000876644910 642956704 /nfs/dbraw/zinc/95/67/04/642956704.db2.gz DYFPDULBXCHUAS-LBPRGKRZSA-N 0 3 284.762 2.647 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000876647725 642957147 /nfs/dbraw/zinc/95/71/47/642957147.db2.gz OIOJREITVIRSLT-UPJWGTAASA-N 0 3 272.820 2.787 20 30 CFEDHN CC(C)(C)OC(=O)NCC(C)(C)CN1CCC(C#N)CC1 ZINC000876653830 642959673 /nfs/dbraw/zinc/95/96/73/642959673.db2.gz UKIWGNNTMMVQTG-UHFFFAOYSA-N 0 3 295.427 2.773 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2ccc(C)cc21 ZINC000876657604 642960725 /nfs/dbraw/zinc/96/07/25/642960725.db2.gz PCALGBZGJZSLHT-ZDUSSCGKSA-N 0 3 278.783 2.744 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C)Oc2cc(C)ccc21 ZINC000876665618 642963333 /nfs/dbraw/zinc/96/33/33/642963333.db2.gz CUVRXNFCDIJPDO-RYUDHWBXSA-N 0 3 294.782 2.579 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCCC)C1CCC1 ZINC000876666975 642964704 /nfs/dbraw/zinc/96/47/04/642964704.db2.gz ZSPIAJYQZFCHKH-STQMWFEESA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1Cc2ccccc2[C@H]1C ZINC000876669655 642965693 /nfs/dbraw/zinc/96/56/93/642965693.db2.gz UEAYXXDWUSBVNB-MFKMUULPSA-N 0 3 264.756 2.560 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000876673966 642967279 /nfs/dbraw/zinc/96/72/79/642967279.db2.gz WNSCPZWLLUWKDR-FZMZJTMJSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(Cc2ccccc2)CCC1 ZINC000876688756 642973459 /nfs/dbraw/zinc/97/34/59/642973459.db2.gz NFZUJLYOZBKWSR-AWEZNQCLSA-N 0 3 292.810 2.738 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000876689645 642974545 /nfs/dbraw/zinc/97/45/45/642974545.db2.gz ISHHAOKHLMNRGW-CHWSQXEVSA-N 0 3 282.746 2.569 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000876874164 643043573 /nfs/dbraw/zinc/04/35/73/643043573.db2.gz BYQQGDLFYVNBIU-SNVBAGLBSA-N 0 3 289.162 2.757 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1CCC ZINC000876886028 643052418 /nfs/dbraw/zinc/05/24/18/643052418.db2.gz SXGNRSVCAGNJOE-NWDGAFQWSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1CCC(C)C ZINC000876896402 643055261 /nfs/dbraw/zinc/05/52/61/643055261.db2.gz CDRZTMNMVDUNEO-CHWSQXEVSA-N 0 3 272.820 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CC(C)(c2ccccc2)C1 ZINC000876906878 643059663 /nfs/dbraw/zinc/05/96/63/643059663.db2.gz JWQQGMDOKPJBSH-NPCAHTBFSA-N 0 3 292.810 2.693 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000876949190 643076501 /nfs/dbraw/zinc/07/65/01/643076501.db2.gz UJIUSLTUGIQZLS-IAQYHMDHSA-N 0 3 292.810 2.645 20 30 CFEDHN Cc1ccc(OC[C@@H](C)NCc2cccc(C#N)n2)cc1 ZINC000876987104 643093459 /nfs/dbraw/zinc/09/34/59/643093459.db2.gz RXMDLOOKYNXYPV-CQSZACIVSA-N 0 3 281.359 2.819 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000877010506 643103087 /nfs/dbraw/zinc/10/30/87/643103087.db2.gz AUYVRWVNARPQFQ-TZMCWYRMSA-N 0 3 293.798 2.509 20 30 CFEDHN C=C(Br)CNC[C@@H](CC(C)C)OC ZINC000877020254 643107247 /nfs/dbraw/zinc/10/72/47/643107247.db2.gz MWMRZDRHUCWSFR-SNVBAGLBSA-N 0 3 250.180 2.546 20 30 CFEDHN C=CC[C@H](NCc1cc(C(=O)OC)c(C)[nH]1)c1ccncc1 ZINC000877047158 643119732 /nfs/dbraw/zinc/11/97/32/643119732.db2.gz YJDJJKJRNFSDNC-INIZCTEOSA-N 0 3 299.374 2.912 20 30 CFEDHN CC1(C)C[C@@H](NCc2cc(C#N)cnc2Cl)CCO1 ZINC000877119595 643160703 /nfs/dbraw/zinc/16/07/03/643160703.db2.gz INNIJTMSZQYMFQ-LBPRGKRZSA-N 0 3 279.771 2.654 20 30 CFEDHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1cccc(C#N)n1 ZINC000877129502 643167781 /nfs/dbraw/zinc/16/77/81/643167781.db2.gz MTMQFCXYWULUTD-YVEFUNNKSA-N 0 3 299.349 2.694 20 30 CFEDHN C[C@@H](NCc1cc(C#N)cnc1Cl)[C@H]1CCCOC1 ZINC000877182792 643193529 /nfs/dbraw/zinc/19/35/29/643193529.db2.gz SHIZTHMQTYQEKP-PWSUYJOCSA-N 0 3 279.771 2.511 20 30 CFEDHN N#CC(C(=O)CCSc1ccccn1)c1ccccn1 ZINC000088803690 650820916 /nfs/dbraw/zinc/82/09/16/650820916.db2.gz XUYFNRBNLAIUDH-GFCCVEGCSA-N 0 3 283.356 2.835 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc2cc[nH]c2c1 ZINC000877268975 643216886 /nfs/dbraw/zinc/21/68/86/643216886.db2.gz AEPOFSRUFRZDMA-CYBMUJFWSA-N 0 3 291.782 2.596 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000877303844 643227572 /nfs/dbraw/zinc/22/75/72/643227572.db2.gz OQUHYTRPXPPXAT-UHFFFAOYSA-N 0 3 264.413 2.757 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(C#N)cnc1Cl ZINC000877496891 643308344 /nfs/dbraw/zinc/30/83/44/643308344.db2.gz YCOWARQEAWRDFL-OCCSQVGLSA-N 0 3 291.782 2.677 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877496658 643308735 /nfs/dbraw/zinc/30/87/35/643308735.db2.gz VVQCTYVFSRPSSH-HOCLYGCPSA-N 0 3 261.365 2.771 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCSC2)c1 ZINC000877533233 643335964 /nfs/dbraw/zinc/33/59/64/643335964.db2.gz NKUNGOVPZHCZBC-JTQLQIEISA-N 0 3 281.812 2.839 20 30 CFEDHN CO[C@@](C)(CNCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877541458 643343776 /nfs/dbraw/zinc/34/37/76/643343776.db2.gz JEQYXDMLWFEDNM-AWEZNQCLSA-N 0 3 279.771 2.511 20 30 CFEDHN C#C[C@H](NCCCc1cnn(C)c1)c1ccc(Cl)cc1 ZINC000877541837 643344058 /nfs/dbraw/zinc/34/40/58/643344058.db2.gz SSADWTONAJTENA-INIZCTEOSA-N 0 3 287.794 2.970 20 30 CFEDHN C[C@@H]1C[C@@H](CNCc2cc(C#N)cnc2Cl)[C@@H](C)O1 ZINC000877589530 643384092 /nfs/dbraw/zinc/38/40/92/643384092.db2.gz PTXJOLFTVHUYAY-FOGDFJRCSA-N 0 3 279.771 2.510 20 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C[C@@H](CCC#N)CN1CCO[C@H](C(F)(F)F)CC1 ZINC000877819718 643585718 /nfs/dbraw/zinc/58/57/18/643585718.db2.gz IYBVFLUUAJKDBJ-QWRGUYRKSA-N 0 3 264.291 2.579 20 30 CFEDHN C=CC[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000877912080 643637378 /nfs/dbraw/zinc/63/73/78/643637378.db2.gz XNRDXIXKMJEZSH-CQSZACIVSA-N 0 3 260.381 2.782 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CC4(CCC4)C3)CC2)nc1 ZINC000877988652 643681859 /nfs/dbraw/zinc/68/18/59/643681859.db2.gz LHHADIIAVFSZAW-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN CC(=O)[C@@](C#N)(CCN1CC[C@H](C)C1)c1ccccc1 ZINC000878030754 643702354 /nfs/dbraw/zinc/70/23/54/643702354.db2.gz HDICOOVDVRDTBM-YOEHRIQHSA-N 0 3 270.376 2.769 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000878032438 643702808 /nfs/dbraw/zinc/70/28/08/643702808.db2.gz PXEQCHJHLQKZCK-CYBMUJFWSA-N 0 3 293.411 2.527 20 30 CFEDHN C=CC[C@@H](C)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000878100545 643735222 /nfs/dbraw/zinc/73/52/22/643735222.db2.gz WDJLOBKVQXFMPU-DOMZBBRYSA-N 0 3 276.355 2.827 20 30 CFEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000246488493 650870640 /nfs/dbraw/zinc/87/06/40/650870640.db2.gz GZFQHDITMGSPIW-KBPBESRZSA-N 0 3 280.412 2.635 20 30 CFEDHN C#CCCN1CCN(C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878312098 643834038 /nfs/dbraw/zinc/83/40/38/643834038.db2.gz GUTHPKWNXGHLDI-MOPGFXCFSA-N 0 3 298.430 2.548 20 30 CFEDHN C=CC[C@H](C)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000878664624 643983317 /nfs/dbraw/zinc/98/33/17/643983317.db2.gz AINNRYNYHVQVSM-IMJJTQAJSA-N 0 3 263.356 2.751 20 30 CFEDHN C=CC[C@@H](C)N1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000878694900 643994483 /nfs/dbraw/zinc/99/44/83/643994483.db2.gz BLNDUSSHOQHNPP-GFCCVEGCSA-N 0 3 294.420 2.621 20 30 CFEDHN C#CCN(CC[C@H]1CC1(Cl)Cl)C1CSC1 ZINC000878910111 644071962 /nfs/dbraw/zinc/07/19/62/644071962.db2.gz HMMGQLKBULPWCF-VIFPVBQESA-N 0 3 264.221 2.621 20 30 CFEDHN C=C(C)CN1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879223120 644180785 /nfs/dbraw/zinc/18/07/85/644180785.db2.gz LZIOSIODNRHNLC-NWDGAFQWSA-N 0 3 254.374 2.550 20 30 CFEDHN C=C(Br)CNC(C)(C)[C@@H]1CCCCO1 ZINC000879409456 644259860 /nfs/dbraw/zinc/25/98/60/644259860.db2.gz DFGAUQPCIJESSG-JTQLQIEISA-N 0 3 262.191 2.832 20 30 CFEDHN N#CCc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC000880222611 644587332 /nfs/dbraw/zinc/58/73/32/644587332.db2.gz YNYLGTUSJIGKCB-KDURUIRLSA-N 0 3 292.382 2.892 20 30 CFEDHN C=C(C)CN1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880322037 644654815 /nfs/dbraw/zinc/65/48/15/644654815.db2.gz CLMRVKDQXXSQEO-GFCCVEGCSA-N 0 3 294.420 2.994 20 30 CFEDHN C=CCCC[C@@H](NCC(=O)N(C)C)c1ccccc1 ZINC000880390407 644687017 /nfs/dbraw/zinc/68/70/17/644687017.db2.gz ZRRFGDPEBUOYSM-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN C[C@@H]1CC[C@H](CO)N1CC#Cc1ccc(Cl)cc1 ZINC000880434425 644703576 /nfs/dbraw/zinc/70/35/76/644703576.db2.gz BNJKMGOHMGWIFP-IUODEOHRSA-N 0 3 263.768 2.537 20 30 CFEDHN C#CCC1(O)CCN(C/C=C/c2ccccc2)CC1 ZINC000880478061 644729837 /nfs/dbraw/zinc/72/98/37/644729837.db2.gz RUQAYUPLFRWSKY-RMKNXTFCSA-N 0 3 255.361 2.550 20 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C#CC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000883363193 645770382 /nfs/dbraw/zinc/77/03/82/645770382.db2.gz XMYUFBBIPMAUHK-UHFFFAOYSA-N 0 3 274.320 2.639 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1cccnc1Cl ZINC000883390381 645789586 /nfs/dbraw/zinc/78/95/86/645789586.db2.gz LAFREIFNEOREFA-GHMZBOCLSA-N 0 3 254.761 2.713 20 30 CFEDHN CC[C@H](N[C@H]1CC(=O)N(CC2CC2)C1)c1ccc(C#N)cc1 ZINC000883395275 645792915 /nfs/dbraw/zinc/79/29/15/645792915.db2.gz QHXUFJPQWYYRNX-IRXDYDNUSA-N 0 3 297.402 2.610 20 30 CFEDHN C#CCN(CCCCC(=O)OCC)Cc1ccc(F)cc1 ZINC000132638128 645943389 /nfs/dbraw/zinc/94/33/89/645943389.db2.gz AHQRCFQECVWQNV-UHFFFAOYSA-N 0 3 291.366 2.994 20 30 CFEDHN CC(C)c1ccccc1NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884046640 646149607 /nfs/dbraw/zinc/14/96/07/646149607.db2.gz LRVZDBIDXSYEOR-TXKKKEFDSA-N 0 3 297.402 2.888 20 30 CFEDHN N#CC(C(=O)CC1CCSCC1)c1ccccn1 ZINC000134974703 646422460 /nfs/dbraw/zinc/42/24/60/646422460.db2.gz JQKNQEFPOLBDHI-LBPRGKRZSA-N 0 3 260.362 2.791 20 30 CFEDHN COc1ccccc1CN(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885942555 646777761 /nfs/dbraw/zinc/77/77/61/646777761.db2.gz PMQCLTBMTNYXPB-OAHLLOKOSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@](C)(O)C(F)F ZINC000885967716 646789374 /nfs/dbraw/zinc/78/93/74/646789374.db2.gz XBLSKJIBWHXIMV-HNNXBMFYSA-N 0 3 269.335 2.733 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccc[nH]2)CCC1 ZINC000886049468 646842435 /nfs/dbraw/zinc/84/24/35/646842435.db2.gz NAAMAIFTMZHIRM-DZGCQCFKSA-N 0 3 273.380 2.596 20 30 CFEDHN C=C[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c1ccccc1 ZINC000136662241 646867592 /nfs/dbraw/zinc/86/75/92/646867592.db2.gz YMQPWCLAFNKWDW-ZFWWWQNUSA-N 0 3 284.359 2.580 20 30 CFEDHN C[C@@](O)(CN1CC=C(c2ccc(C#N)cc2)CC1)C(F)F ZINC000886100739 646873535 /nfs/dbraw/zinc/87/35/35/646873535.db2.gz WOZQLTCPVQICIW-MRXNPFEDSA-N 0 3 292.329 2.663 20 30 CFEDHN N#CC1(C[C@H](O)CNC2(c3ccccc3F)CC2)CCC1 ZINC000886111843 646877264 /nfs/dbraw/zinc/87/72/64/646877264.db2.gz JSAMIOCLLJVVEU-ZDUSSCGKSA-N 0 3 288.366 2.849 20 30 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ZINC001227350945 776183678 /nfs/dbraw/zinc/18/36/78/776183678.db2.gz RBDXVYNMXPOISK-ZDUSSCGKSA-N 0 3 260.337 2.515 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccccc2CCC)C1 ZINC001027488410 776333142 /nfs/dbraw/zinc/33/31/42/776333142.db2.gz SVWANFJXRNBOIJ-KRWDZBQOSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001027494757 776336073 /nfs/dbraw/zinc/33/60/73/776336073.db2.gz JGHFGXVPPKDOPX-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN CN1CCC[C@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084684 776390132 /nfs/dbraw/zinc/39/01/32/776390132.db2.gz PYRCYQKIXVWMBI-LBPRGKRZSA-N 0 3 250.729 2.685 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC001027659576 776397079 /nfs/dbraw/zinc/39/70/79/776397079.db2.gz OQJAGERAXINXNL-CYBMUJFWSA-N 0 3 290.794 2.510 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001027655558 776398127 /nfs/dbraw/zinc/39/81/27/776398127.db2.gz XELRXRLLXYUQNI-ULQDDVLXSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC001027670058 776403698 /nfs/dbraw/zinc/40/36/98/776403698.db2.gz IMUSUOIKBYMYLQ-HNNXBMFYSA-N 0 3 296.370 2.602 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC001027670059 776404153 /nfs/dbraw/zinc/40/41/53/776404153.db2.gz IMUSUOIKBYMYLQ-OAHLLOKOSA-N 0 3 296.370 2.602 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001027698247 776412502 /nfs/dbraw/zinc/41/25/02/776412502.db2.gz GIPYZXOYZDMIFZ-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001027704006 776416031 /nfs/dbraw/zinc/41/60/31/776416031.db2.gz IYLWJJYRRKOGSS-CQSZACIVSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001027727412 776427941 /nfs/dbraw/zinc/42/79/41/776427941.db2.gz IODMOJIJYNUHSX-INIZCTEOSA-N 0 3 272.392 2.765 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027787923 776452878 /nfs/dbraw/zinc/45/28/78/776452878.db2.gz ZQRGFYFBESDFFZ-OAHLLOKOSA-N 0 3 264.413 2.723 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289.335 2.718 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001028125685 776644095 /nfs/dbraw/zinc/64/40/95/776644095.db2.gz XQMPSDWXKSEXIO-RBSFLKMASA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001028168946 776676999 /nfs/dbraw/zinc/67/69/99/776676999.db2.gz NLNREOVIGVHTKA-HNNXBMFYSA-N 0 3 283.375 2.548 20 30 CFEDHN Cc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)cc1C#N ZINC001139725895 776680382 /nfs/dbraw/zinc/68/03/82/776680382.db2.gz ISAXSLPWDZRSMZ-MRXNPFEDSA-N 0 3 288.366 2.960 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001268194718 776699402 /nfs/dbraw/zinc/69/94/02/776699402.db2.gz LQCFQYQEJLZWSM-KGLIPLIRSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1cc(-c2ccccc2)no1 ZINC001268241887 776718397 /nfs/dbraw/zinc/71/83/97/776718397.db2.gz BRZOVOAOOJRFIQ-UHFFFAOYSA-N 0 3 299.374 2.531 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)CC1CC(C)(C)C1 ZINC001268248294 776720565 /nfs/dbraw/zinc/72/05/65/776720565.db2.gz WVNFLVSXACGVOK-UHFFFAOYSA-N 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ZINC001277502800 777181337 /nfs/dbraw/zinc/18/13/37/777181337.db2.gz SAQWVBUYIRTRBP-FUHWJXTLSA-N 0 3 290.451 2.760 20 30 CFEDHN C=CCCC(=O)NC[C@@H](CC)NCc1cccc(Cl)n1 ZINC001269378187 777181922 /nfs/dbraw/zinc/18/19/22/777181922.db2.gz NWDBTWJANRRUEM-GFCCVEGCSA-N 0 3 295.814 2.686 20 30 CFEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CCCC1CCCC1 ZINC001231282420 777182494 /nfs/dbraw/zinc/18/24/94/777182494.db2.gz LBSWCNWUGFOVHY-HOCLYGCPSA-N 0 3 291.439 2.649 20 30 CFEDHN C#CCNC1(CNC(=O)[C@@H](CCC)CC2CCCC2)CC1 ZINC001269501847 777198832 /nfs/dbraw/zinc/19/88/32/777198832.db2.gz GDYOPITVJJFXDQ-INIZCTEOSA-N 0 3 290.451 2.855 20 30 CFEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)C(C)C ZINC001284533068 777204309 /nfs/dbraw/zinc/20/43/09/777204309.db2.gz DOYKITLWZGYSKN-JKSUJKDBSA-N 0 3 296.430 2.707 20 30 CFEDHN CC#CCNC1(CNC(=O)c2ccc(CC(C)C)cc2)CC1 ZINC001269535574 777205425 /nfs/dbraw/zinc/20/54/25/777205425.db2.gz RBHITQJBSQXJOX-UHFFFAOYSA-N 0 3 298.430 2.760 20 30 CFEDHN C=C(Cl)CNC[C@@](C)(NC(=O)C#CC(C)(C)C)C1CC1 ZINC001269615586 777221788 /nfs/dbraw/zinc/22/17/88/777221788.db2.gz UQLUFTQAQAWCRG-MRXNPFEDSA-N 0 3 296.842 2.663 20 30 CFEDHN C#CCN1CCC[C@@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001269692509 777231143 /nfs/dbraw/zinc/23/11/43/777231143.db2.gz MBZSIYVLQMZZMW-GOSISDBHSA-N 0 3 290.451 2.760 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(CCC)cc2)C1 ZINC001028769551 777231763 /nfs/dbraw/zinc/23/17/63/777231763.db2.gz AFVHJOARDPFNAJ-QGZVFWFLSA-N 0 3 298.430 2.714 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H]3OC[C@@H](C)[C@H]3C2)c1 ZINC001231625023 777283907 /nfs/dbraw/zinc/28/39/07/777283907.db2.gz KARNAIKTSGMAOC-KBRIMQKVSA-N 0 3 273.376 2.718 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC001231655890 777294291 /nfs/dbraw/zinc/29/42/91/777294291.db2.gz CLQUDQIXTACFNJ-HNNXBMFYSA-N 0 3 297.320 2.947 20 30 CFEDHN C#Cc1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC001231661526 777297736 /nfs/dbraw/zinc/29/77/36/777297736.db2.gz VJOOBDQRAUGFQH-SFHVURJKSA-N 0 3 278.355 2.716 20 30 CFEDHN CC#CCNCc1ccc(CNC(=O)/C=C(/C)CC)cc1 ZINC001270059696 777298440 /nfs/dbraw/zinc/29/84/40/777298440.db2.gz BZFZFCPQSZOKMJ-QINSGFPZSA-N 0 3 284.403 2.772 20 30 CFEDHN C#Cc1cccc(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC001231659433 777298778 /nfs/dbraw/zinc/29/87/78/777298778.db2.gz LJMMRHHOBBVUEE-SFHVURJKSA-N 0 3 278.355 2.716 20 30 CFEDHN C#Cc1cccc(CN2CCC(N(CC)C(=O)CC)CC2)c1 ZINC001231664919 777301831 /nfs/dbraw/zinc/30/18/31/777301831.db2.gz ZERHYHXWLUGYQD-UHFFFAOYSA-N 0 3 298.430 2.891 20 30 CFEDHN C#CCNCc1ccc(CNC(=O)[C@@H](CC)CCC)cc1 ZINC001270082614 777305450 /nfs/dbraw/zinc/30/54/50/777305450.db2.gz ZUEWFBYAAFZAES-KRWDZBQOSA-N 0 3 286.419 2.852 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001270231958 777336768 /nfs/dbraw/zinc/33/67/68/777336768.db2.gz OOEXAQLTHVXSQI-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001075747793 777346442 /nfs/dbraw/zinc/34/64/42/777346442.db2.gz BFWIATBYVUTZTO-DZGCQCFKSA-N 0 3 288.391 2.564 20 30 CFEDHN C#CCN(C(=O)c1ccc[nH]1)C1CCN(CC=C(C)C)CC1 ZINC001270285422 777347434 /nfs/dbraw/zinc/34/74/34/777347434.db2.gz SKBIUPONTGMGSE-UHFFFAOYSA-N 0 3 299.418 2.521 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009950 777377431 /nfs/dbraw/zinc/37/74/31/777377431.db2.gz WSKSEQTWOZCZEN-HOTGVXAUSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H](CNCCF)C1CCCC1 ZINC001270442284 777384657 /nfs/dbraw/zinc/38/46/57/777384657.db2.gz KKYDTXGEMCKEGZ-AWEZNQCLSA-N 0 3 284.419 2.823 20 30 CFEDHN CC(C)(C)OC1CC(N2CCC(C)(C#N)CC2)C1 ZINC000336083531 777429712 /nfs/dbraw/zinc/42/97/12/777429712.db2.gz AIESITGIISXNMS-UHFFFAOYSA-N 0 3 250.386 2.958 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001270591192 777416720 /nfs/dbraw/zinc/41/67/20/777416720.db2.gz XDQOAIVKDURTFI-OCCSQVGLSA-N 0 3 286.366 2.579 20 30 CFEDHN C#CCCN1CC[C@](C)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001270633100 777436556 /nfs/dbraw/zinc/43/65/56/777436556.db2.gz PQQFBRWSDCZSGA-RDJZCZTQSA-N 0 3 278.440 2.663 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)CC[C@H](C)CC)C1 ZINC001270643245 777437062 /nfs/dbraw/zinc/43/70/62/777437062.db2.gz UCEOCBHZPXRBRD-ZBFHGGJFSA-N 0 3 266.429 2.969 20 30 CFEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001270643127 777437793 /nfs/dbraw/zinc/43/77/93/777437793.db2.gz QYWLSVBGRGLMJV-NVXWUHKLSA-N 0 3 278.440 2.663 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H](CC)CCC)C1 ZINC001270642003 777438935 /nfs/dbraw/zinc/43/89/35/777438935.db2.gz JQRIHSRGSOQDQF-HOCLYGCPSA-N 0 3 266.429 2.969 20 30 CFEDHN N#Cc1c[nH]c2ncc(N(C(=N)N)c3ccc(F)cc3)cc12 ZINC001167995208 777526752 /nfs/dbraw/zinc/52/67/52/777526752.db2.gz VYFLUDWVVPERTP-UHFFFAOYSA-N 0 3 294.293 2.605 20 30 CFEDHN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C2 ZINC001098269342 777562975 /nfs/dbraw/zinc/56/29/75/777562975.db2.gz XJUNTWBHBHCTKL-ZACQAIPSSA-N 0 3 284.403 2.906 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N[C@H]1CCN(CC#CC)CC1(C)C ZINC001281553859 777564244 /nfs/dbraw/zinc/56/42/44/777564244.db2.gz TVGYZILAKMRGTG-HOTGVXAUSA-N 0 3 290.451 2.829 20 30 CFEDHN C#CCCN(C)Cc1ccccc1CNC(=O)CCC ZINC001280315434 777573175 /nfs/dbraw/zinc/57/31/75/777573175.db2.gz PEANMBKNHPRXFA-UHFFFAOYSA-N 0 3 272.392 2.558 20 30 CFEDHN N#Cc1ccnc(CN2CCC[C@H]2Cc2ccccn2)c1 ZINC001232480897 777576050 /nfs/dbraw/zinc/57/60/50/777576050.db2.gz NIHFKLVCFUMVRN-KRWDZBQOSA-N 0 3 278.359 2.555 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001280340175 777616145 /nfs/dbraw/zinc/61/61/45/777616145.db2.gz IYTWMHBTHDXTID-AWEZNQCLSA-N 0 3 284.403 2.777 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(C)[C@H](C)CNCc1ccns1 ZINC001271075070 777643596 /nfs/dbraw/zinc/64/35/96/777643596.db2.gz KITJBXVFXXYJMD-CHWSQXEVSA-N 0 3 295.452 2.682 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H](C)CNC[C@@H](F)CC)CCC1 ZINC001271093660 777647900 /nfs/dbraw/zinc/64/79/00/777647900.db2.gz RBEHBOQLWJRKDE-KGLIPLIRSA-N 0 3 284.419 2.917 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1CC ZINC001087674750 777676638 /nfs/dbraw/zinc/67/66/38/777676638.db2.gz BEPDREGHUKXUFA-LSDHHAIUSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H]1CC ZINC001087675903 777676663 /nfs/dbraw/zinc/67/66/63/777676663.db2.gz KGFOLRMWGHJODB-JKSUJKDBSA-N 0 3 290.382 2.903 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1CC ZINC001087693093 777680929 /nfs/dbraw/zinc/68/09/29/777680929.db2.gz WNPTZSHUFBHSER-LSDHHAIUSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1CC ZINC001087814805 777705200 /nfs/dbraw/zinc/70/52/00/777705200.db2.gz BPAJPTCEYWGQSE-DOTOQJQBSA-N 0 3 299.418 2.728 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1CC ZINC001087822353 777708032 /nfs/dbraw/zinc/70/80/32/777708032.db2.gz JURZCFSXNXWCFV-DOTOQJQBSA-N 0 3 297.402 2.937 20 30 CFEDHN CN(Cc1ccc(Br)c(C#N)c1)[C@H]1CCOC1 ZINC001232894832 777708976 /nfs/dbraw/zinc/70/89/76/777708976.db2.gz FFPKOCBHSNCRGP-LBPRGKRZSA-N 0 3 295.180 2.541 20 30 CFEDHN CCCCN1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC001232892101 777709152 /nfs/dbraw/zinc/70/91/52/777709152.db2.gz ZCJHFBRBQMYMRX-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN COCOc1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC001233282019 777862775 /nfs/dbraw/zinc/86/27/75/777862775.db2.gz ZGTIYCDJDOBYPF-CQSZACIVSA-N 0 3 274.364 2.795 20 30 CFEDHN C=C(Cl)CNCC[C@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC001271475570 777875384 /nfs/dbraw/zinc/87/53/84/777875384.db2.gz HRWHQLGDYBVLIB-CYBMUJFWSA-N 0 3 295.814 2.742 20 30 CFEDHN CCN1CCC[C@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233525111 777977800 /nfs/dbraw/zinc/97/78/00/777977800.db2.gz INLYVHCSIXWZOM-HNNXBMFYSA-N 0 3 272.348 2.646 20 30 CFEDHN C[C@@H]1C[C@H](NC(=N)c2ccc3ccccc3n2)CCO1 ZINC001168087793 777997681 /nfs/dbraw/zinc/99/76/81/777997681.db2.gz NNVVXJAJICVSMD-DGCLKSJQSA-N 0 3 269.348 2.508 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233662746 778030083 /nfs/dbraw/zinc/03/00/83/778030083.db2.gz GYRWOMFNJMKYQI-CYBMUJFWSA-N 0 3 268.376 2.749 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@H]2CC23CC3)C1 ZINC001088388654 778056704 /nfs/dbraw/zinc/05/67/04/778056704.db2.gz ARWZZFYNHPLCNL-ZIAGYGMSSA-N 0 3 296.842 2.900 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@H]1CCN1CCc1ccccc1 ZINC001233946872 778119314 /nfs/dbraw/zinc/11/93/14/778119314.db2.gz FJCSRBULOHEYAF-GOSISDBHSA-N 0 3 298.430 2.565 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088459163 778128851 /nfs/dbraw/zinc/12/88/51/778128851.db2.gz DIOHJVBXJZUEIA-HIFRSBDPSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](CC)CCCC)[C@H](OC)C1 ZINC001211908663 778136985 /nfs/dbraw/zinc/13/69/85/778136985.db2.gz INBFPSWCANVEJN-ARFHVFGLSA-N 0 3 296.455 2.594 20 30 CFEDHN C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001088474732 778146996 /nfs/dbraw/zinc/14/69/96/778146996.db2.gz YRIBKOPDCYXTAE-HIFRSBDPSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001088474732 778147000 /nfs/dbraw/zinc/14/70/00/778147000.db2.gz YRIBKOPDCYXTAE-HIFRSBDPSA-N 0 3 288.391 2.551 20 30 CFEDHN C/C=C(/C)C(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC001277831256 778164341 /nfs/dbraw/zinc/16/43/41/778164341.db2.gz KHSZPXDCPZXPJJ-CGDKAXRNSA-N 0 3 296.414 2.585 20 30 CFEDHN C[NH+](C)[C@H]1CC[C@H](Oc2cc([O-])cc(C#N)c2)CC1 ZINC001234143282 778174972 /nfs/dbraw/zinc/17/49/72/778174972.db2.gz CNAICILFKRXMAH-MQMHXKEQSA-N 0 3 260.337 2.515 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234187319 778183129 /nfs/dbraw/zinc/18/31/29/778183129.db2.gz WXTZGFCFZGVHHZ-OAHLLOKOSA-N 0 3 262.397 2.596 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206423 778186539 /nfs/dbraw/zinc/18/65/39/778186539.db2.gz PTMGMXYXCBZKFY-HNNXBMFYSA-N 0 3 276.424 2.535 20 30 CFEDHN CC1CC(CN2CC[C@@H]2CN(C)C(=O)C#CC(C)(C)C)C1 ZINC001234215059 778187197 /nfs/dbraw/zinc/18/71/97/778187197.db2.gz IEOVCGIHDBOSIL-UYSNPLJNSA-N 0 3 290.451 2.615 20 30 CFEDHN C=CCCOCCCCC(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001234275737 778198541 /nfs/dbraw/zinc/19/85/41/778198541.db2.gz FOEIUBONSNFKTC-INIZCTEOSA-N 0 3 296.455 2.691 20 30 CFEDHN CN1CCc2c(cccc2O[C@@H]2CC[C@@H](C#N)C2)C1 ZINC001234420776 778221607 /nfs/dbraw/zinc/22/16/07/778221607.db2.gz XAUXXDVFWYTLLA-TZMCWYRMSA-N 0 3 256.349 2.746 20 30 CFEDHN C#C[C@H]1CCC[C@@H]1Oc1cccc2c1CCN(C)C2 ZINC001234422668 778222605 /nfs/dbraw/zinc/22/26/05/778222605.db2.gz IVRULGCTLWSTDC-BBRMVZONSA-N 0 3 255.361 2.855 20 30 CFEDHN C=CCCCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234425129 778222997 /nfs/dbraw/zinc/22/29/97/778222997.db2.gz LVSSUTDUVZRJJP-INIZCTEOSA-N 0 3 289.423 2.907 20 30 CFEDHN C=C(C)C(=O)OC[C@H](C)Oc1cccc2c1CCN(C)C2 ZINC001234423979 778223169 /nfs/dbraw/zinc/22/31/69/778223169.db2.gz MVNTYHNDEPMCGI-ZDUSSCGKSA-N 0 3 289.375 2.561 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2cnn(CC3CCC3)c2)C1 ZINC000897432600 778227640 /nfs/dbraw/zinc/22/76/40/778227640.db2.gz OUVSDCGJZCXXSI-ZBFHGGJFSA-N 0 3 272.396 2.855 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C(CC=C)CC=C ZINC001234516855 778240812 /nfs/dbraw/zinc/24/08/12/778240812.db2.gz HGQKEBSQTUQJOY-MRXNPFEDSA-N 0 3 276.424 2.864 20 30 CFEDHN C=CCc1cc(OC)c(OC)cc1O[C@H]1CCN(C)C1 ZINC001234551719 778250455 /nfs/dbraw/zinc/25/04/55/778250455.db2.gz KRCYITIIKZFFRX-ZDUSSCGKSA-N 0 3 277.364 2.515 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CN(CC/C=C\CCC)C[C@H]1OC ZINC001211999764 778321126 /nfs/dbraw/zinc/32/11/26/778321126.db2.gz WXRXZKDPLYEXAK-NKIGNDQYSA-N 0 3 294.439 2.514 20 30 CFEDHN C=CCCCCCN1C[C@@H](NC(=O)/C(C)=C/C)[C@H](OC)C1 ZINC001212104095 778366030 /nfs/dbraw/zinc/36/60/30/778366030.db2.gz FZMDYUAOEDSBDT-KOBNLHKSSA-N 0 3 294.439 2.514 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1C ZINC001088659600 778378571 /nfs/dbraw/zinc/37/85/71/778378571.db2.gz YYGLVZJTQZBBHX-KFWWJZLASA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCCCCCCCCCN1C[C@H]2CNC[C@@H](C1)O2 ZINC001235337883 778459459 /nfs/dbraw/zinc/45/94/59/778459459.db2.gz KGUIBHPBTPVHQO-CALCHBBNSA-N 0 3 280.456 2.966 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128094389 778479492 /nfs/dbraw/zinc/47/94/92/778479492.db2.gz VURVOROHJAFUIJ-GFCCVEGCSA-N 0 3 268.272 2.549 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC001088830750 778557681 /nfs/dbraw/zinc/55/76/81/778557681.db2.gz BKLZANMAJSMFIF-CJNGLKHVSA-N 0 3 290.382 2.903 20 30 CFEDHN N#Cc1cc(CN2CCN[C@H](c3ccccc3)C2)ccc1F ZINC001235860596 778583284 /nfs/dbraw/zinc/58/32/84/778583284.db2.gz VSGFOHRTVUXJSC-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)C1CC1 ZINC000128666889 778584356 /nfs/dbraw/zinc/58/43/56/778584356.db2.gz DSVWOEDEKRUGPY-CQSZACIVSA-N 0 3 278.311 2.897 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001076470705 778590446 /nfs/dbraw/zinc/59/04/46/778590446.db2.gz CUASYOSVIXICAO-BHYGNILZSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H]3CC4CCC3CC4)[C@@H]2C1 ZINC001076614178 778598527 /nfs/dbraw/zinc/59/85/27/778598527.db2.gz DPOXVJAMFZPMTH-LMNGEROHSA-N 0 3 288.435 2.531 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/C1CC1 ZINC001099008056 778900942 /nfs/dbraw/zinc/90/09/42/778900942.db2.gz LFSXOWYKJHOKEW-MVGZEHJDSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1C ZINC001088873868 778928398 /nfs/dbraw/zinc/92/83/98/778928398.db2.gz YUQXKSHJXSPUMK-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)[C@H]1C ZINC001088885637 778935515 /nfs/dbraw/zinc/93/55/15/778935515.db2.gz HXYPBOWDBUFCRB-JZXOWHBKSA-N 0 3 298.430 2.701 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)[C@H]1C ZINC001088988519 778968310 /nfs/dbraw/zinc/96/83/10/778968310.db2.gz AVBWZTZGQSMPFT-UXLLHSPISA-N 0 3 286.419 2.864 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018739 778975263 /nfs/dbraw/zinc/97/52/63/778975263.db2.gz ZGIXMMVAYUTZIZ-WBVHZDCISA-N 0 3 284.403 2.519 20 30 CFEDHN CCCCCCCN1CCNC[C@@H]1C(F)(F)F ZINC001236974842 778986726 /nfs/dbraw/zinc/98/67/26/778986726.db2.gz GEGYKDNVVCFGAM-LLVKDONJSA-N 0 3 252.324 2.793 20 30 CFEDHN Cc1ccc(CN2CCCC[C@@](C)(O)C2)c(C#N)c1 ZINC001232961914 778999488 /nfs/dbraw/zinc/99/94/88/778999488.db2.gz JPONMIQFKOMTQG-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)[C@H](CC)CC(F)F)CC1 ZINC001278057953 779027703 /nfs/dbraw/zinc/02/77/03/779027703.db2.gz ZVRNXTJWHYLCTI-GFCCVEGCSA-N 0 3 288.382 2.825 20 30 CFEDHN CN(C)/C=N/c1ccc(NCCCCC#N)cc1C#N ZINC001168434459 779045725 /nfs/dbraw/zinc/04/57/25/779045725.db2.gz UIJMSCRIHLBWII-XDHOZWIPSA-N 0 3 269.352 2.885 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001099153155 779092084 /nfs/dbraw/zinc/09/20/84/779092084.db2.gz GTNPHBURJUMQNL-CQSZACIVSA-N 0 3 296.430 2.919 20 30 CFEDHN CC(C)CCN1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272448251 779102135 /nfs/dbraw/zinc/10/21/35/779102135.db2.gz HCLZLHVHQQVGOB-QGZVFWFLSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C)[N@@H+]1CCC[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234144374 779141570 /nfs/dbraw/zinc/14/15/70/779141570.db2.gz MTQXKMMHZXJDDD-CQSZACIVSA-N 0 3 260.337 2.515 20 30 CFEDHN CC(C)[N@H+]1CCC[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234144374 779141572 /nfs/dbraw/zinc/14/15/72/779141572.db2.gz MTQXKMMHZXJDDD-CQSZACIVSA-N 0 3 260.337 2.515 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046365803 779160413 /nfs/dbraw/zinc/16/04/13/779160413.db2.gz AEDZFHJNTLKBSR-OCCSQVGLSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234246436 779174508 /nfs/dbraw/zinc/17/45/08/779174508.db2.gz NSMIQGJDDHFUJU-JKSUJKDBSA-N 0 3 296.455 2.546 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2)CC(C)(C)C1 ZINC001089305065 779184118 /nfs/dbraw/zinc/18/41/18/779184118.db2.gz DQIPSJNMOKYSKK-KRWDZBQOSA-N 0 3 298.430 2.849 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CN(CCCCC)C[C@H]1OC ZINC001213262547 779184381 /nfs/dbraw/zinc/18/43/81/779184381.db2.gz ACAZTSSCWLGRJA-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccsc2)CC(C)(C)C1 ZINC001089308268 779191238 /nfs/dbraw/zinc/19/12/38/779191238.db2.gz BLLWNUSEODZHRZ-CQSZACIVSA-N 0 3 290.432 2.602 20 30 CFEDHN C#CC1CCN(Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237837041 779192764 /nfs/dbraw/zinc/19/27/64/779192764.db2.gz NAMCLIZDDQVVJT-UHFFFAOYSA-N 0 3 277.371 2.989 20 30 CFEDHN C#C[C@H](CC)Oc1ccc(N2CCN(CC)CC2)cc1 ZINC001234657917 779262959 /nfs/dbraw/zinc/26/29/59/779262959.db2.gz MLOKLDBHGGDGIZ-MRXNPFEDSA-N 0 3 272.392 2.619 20 30 CFEDHN CCN1CCN(Cc2ccc(Cl)c(C#N)c2)C[C@H]1C ZINC001238195991 779277825 /nfs/dbraw/zinc/27/78/25/779277825.db2.gz OLNDCVUQYNFBKV-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN CCOCC1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238408898 779307354 /nfs/dbraw/zinc/30/73/54/779307354.db2.gz GCWXPSHUZVBUER-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN CC#CCCNCc1cn(-c2ccccc2F)nc1C ZINC001205137345 779312955 /nfs/dbraw/zinc/31/29/55/779312955.db2.gz WMIWSSLYLGTJLC-UHFFFAOYSA-N 0 3 271.339 2.823 20 30 CFEDHN N#CCc1ccccc1CN1CCC[C@H](C#N)CC1 ZINC001235524866 779360667 /nfs/dbraw/zinc/36/06/67/779360667.db2.gz BNBSFRLHLBLDGT-AWEZNQCLSA-N 0 3 253.349 2.878 20 30 CFEDHN CCn1ccnc1C(C#N)C(=O)CC1CC(F)(F)C1 ZINC001123336586 779381952 /nfs/dbraw/zinc/38/19/52/779381952.db2.gz IWBKVGTYJBLDCU-JTQLQIEISA-N 0 3 267.279 2.515 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccco1 ZINC001099276138 779383137 /nfs/dbraw/zinc/38/31/37/779383137.db2.gz NKASKMWJWORGCB-CQSZACIVSA-N 0 3 290.407 2.615 20 30 CFEDHN CCc1cc(CN2CC[C@H](c3nc(C)no3)C2)ccc1C#N ZINC001238769882 779387170 /nfs/dbraw/zinc/38/71/70/779387170.db2.gz WBWSNWCELFQPHQ-INIZCTEOSA-N 0 3 296.374 2.802 20 30 CFEDHN CCc1cc(CN(C)[C@@H]2CCCOC2)ccc1C#N ZINC001238773574 779389862 /nfs/dbraw/zinc/38/98/62/779389862.db2.gz ZSXYJYYDSCOLMW-MRXNPFEDSA-N 0 3 258.365 2.731 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)C2CC(C)(C)C2)CC(C)(C)C1 ZINC001089380573 779446708 /nfs/dbraw/zinc/44/67/08/779446708.db2.gz GCVFLHAAQZMORU-OAHLLOKOSA-N 0 3 290.451 2.663 20 30 CFEDHN N#Cc1ccc(/C=C/c2cc(N3CCOCC3)ccn2)cc1 ZINC001239282353 779500096 /nfs/dbraw/zinc/50/00/96/779500096.db2.gz MTOSBFSNKFGAHH-AATRIKPKSA-N 0 3 291.354 2.960 20 30 CFEDHN CCCC[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN1 ZINC001239293508 779504134 /nfs/dbraw/zinc/50/41/34/779504134.db2.gz QJWRTJXEYAYMMW-OAHLLOKOSA-N 0 3 286.379 2.554 20 30 CFEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC)C1 ZINC001089755948 779584954 /nfs/dbraw/zinc/58/49/54/779584954.db2.gz FFONQZRUIYOSCS-AJNGGQMLSA-N 0 3 296.842 2.708 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1ccc(Cl)s1 ZINC000131048216 779711771 /nfs/dbraw/zinc/71/17/71/779711771.db2.gz GBBZGONDRZFNOI-SNVBAGLBSA-N 0 3 298.795 2.568 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001032147572 779747371 /nfs/dbraw/zinc/74/73/71/779747371.db2.gz LQLWGNJDWLTLQY-UHFFFAOYSA-N 0 3 298.430 2.669 20 30 CFEDHN C#CCCN1CC(CNC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001032177366 779750903 /nfs/dbraw/zinc/75/09/03/779750903.db2.gz MCDWSKIECJYCLO-UHFFFAOYSA-N 0 3 298.430 2.570 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccoc1CC ZINC001272747240 779820222 /nfs/dbraw/zinc/82/02/22/779820222.db2.gz ITZKAHNBLFPDJC-LLVKDONJSA-N 0 3 284.787 2.693 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)/C=C(/C)C1CC1 ZINC001032298169 779820772 /nfs/dbraw/zinc/82/07/72/779820772.db2.gz GDWZKIRFWAEORT-YQPRGPPOSA-N 0 3 274.408 2.594 20 30 CFEDHN CCc1cc(CN2CC([C@H](C)OC)C2)ccc1C#N ZINC001238769834 779825945 /nfs/dbraw/zinc/82/59/45/779825945.db2.gz VMUNUKKCCGGLPP-LBPRGKRZSA-N 0 3 258.365 2.587 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001032337198 779866615 /nfs/dbraw/zinc/86/66/15/779866615.db2.gz YSPKIMPJZJKQTM-SMLCLMEVSA-N 0 3 288.435 2.674 20 30 CFEDHN CN(C)Cc1cncc(-c2cc(F)c(C#N)c(F)c2)c1 ZINC001239931489 779868704 /nfs/dbraw/zinc/86/87/04/779868704.db2.gz UTQUKCRFTSWECJ-UHFFFAOYSA-N 0 3 273.286 2.960 20 30 CFEDHN C=CCC[C@H](C)N1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107744388 779891859 /nfs/dbraw/zinc/89/18/59/779891859.db2.gz AZIKTOBEJLVXSM-DOTOQJQBSA-N 0 3 296.455 2.738 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001032413967 779942849 /nfs/dbraw/zinc/94/28/49/779942849.db2.gz VXPXDYMPYAXUKP-YHUYYLMFSA-N 0 3 290.451 2.920 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001032430770 779954612 /nfs/dbraw/zinc/95/46/12/779954612.db2.gz VCHMTEOZHOFTRB-STQMWFEESA-N 0 3 299.374 2.626 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(C)C ZINC001032476857 779970366 /nfs/dbraw/zinc/97/03/66/779970366.db2.gz YOLAHFJEYJUOGE-KKUMJFAQSA-N 0 3 278.440 2.920 20 30 CFEDHN C#CCOCCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC001168563171 779971875 /nfs/dbraw/zinc/97/18/75/779971875.db2.gz DUKJSYFBUWCNSC-SNVBAGLBSA-N 0 3 287.281 2.728 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032557913 780030461 /nfs/dbraw/zinc/03/04/61/780030461.db2.gz WUWXNXHHZYEHHA-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)C1 ZINC001032561827 780037167 /nfs/dbraw/zinc/03/71/67/780037167.db2.gz CPHISZOEESSTBG-WUCCLRPBSA-N 0 3 276.424 2.530 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C=CCC1 ZINC001032568565 780042777 /nfs/dbraw/zinc/04/27/77/780042777.db2.gz FOQOQEMNXZSTCV-ZOBUZTSGSA-N 0 3 274.408 2.594 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)cc(C)c1 ZINC001032602344 780064721 /nfs/dbraw/zinc/06/47/21/780064721.db2.gz OZPGYRNMGQRKCC-ROUUACIJSA-N 0 3 298.430 2.707 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1C ZINC001032603857 780065578 /nfs/dbraw/zinc/06/55/78/780065578.db2.gz MUVODUWCFGPUHD-ROUUACIJSA-N 0 3 298.430 2.707 20 30 CFEDHN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)CC1 ZINC001032605651 780068081 /nfs/dbraw/zinc/06/80/81/780068081.db2.gz FCBCEPIADNJHEM-IRXDYDNUSA-N 0 3 288.435 2.818 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccco1 ZINC001032736977 780160211 /nfs/dbraw/zinc/16/02/11/780160211.db2.gz OWVYJWQVLNOEMR-KKUMJFAQSA-N 0 3 288.391 2.634 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)c1cc(C)cc(C)n1 ZINC001272883236 780189402 /nfs/dbraw/zinc/18/94/02/780189402.db2.gz YZCJDALIAGQYNM-LBPRGKRZSA-N 0 3 295.814 2.549 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038542129 780204789 /nfs/dbraw/zinc/20/47/89/780204789.db2.gz YINJBJYCBRDKPV-YVSFHVDLSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1)c1ccccc1 ZINC001032796476 780249607 /nfs/dbraw/zinc/24/96/07/780249607.db2.gz BSKBTXRXCOQXEE-BZSNNMDCSA-N 0 3 296.414 2.651 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)CC2CCC2)C12CCC2 ZINC001078586167 780280811 /nfs/dbraw/zinc/28/08/11/780280811.db2.gz LLLYGKLCWACGMQ-KGLIPLIRSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CC2)C12CCC2 ZINC001078632253 780285556 /nfs/dbraw/zinc/28/55/56/780285556.db2.gz NSUZVTWCCRTYQO-RYUDHWBXSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2(C)CCC2)C12CCC2 ZINC001078700957 780291604 /nfs/dbraw/zinc/29/16/04/780291604.db2.gz UUJRTZYARVPCIT-STQMWFEESA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2(C)CCC2)C12CCC2 ZINC001078700956 780291716 /nfs/dbraw/zinc/29/17/16/780291716.db2.gz UUJRTZYARVPCIT-QWHCGFSZSA-N 0 3 296.842 2.946 20 30 CFEDHN CC#CCNCCNC(=O)c1csc2cc(C)ccc12 ZINC001128228002 780365340 /nfs/dbraw/zinc/36/53/40/780365340.db2.gz PDFGDNXLCHZQNK-UHFFFAOYSA-N 0 3 286.400 2.552 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)Cc1cccc(C)c1 ZINC001272992708 780459034 /nfs/dbraw/zinc/45/90/34/780459034.db2.gz DUHLSIKNSFUQNL-AWEZNQCLSA-N 0 3 294.826 2.774 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880509 780499603 /nfs/dbraw/zinc/49/96/03/780499603.db2.gz OKRCNJSUZPSLFP-INIZCTEOSA-N 0 3 272.392 2.717 20 30 CFEDHN C=C(Cl)CNCC[C@H](C)NC(=O)[C@H](C)C(C)(F)F ZINC001273019513 780533735 /nfs/dbraw/zinc/53/37/35/780533735.db2.gz WXGYUHGGERFNQX-UWVGGRQHSA-N 0 3 282.762 2.515 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033063571 780550760 /nfs/dbraw/zinc/55/07/60/780550760.db2.gz DBNKDIUCIMYZCD-ZDUSSCGKSA-N 0 3 278.421 2.779 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033106894 780566728 /nfs/dbraw/zinc/56/67/28/780566728.db2.gz IZFLHXUXUFANKJ-WBVHZDCISA-N 0 3 276.424 2.842 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@]2(C)CCC[C@H]2CC)CCC1 ZINC001273106926 780597696 /nfs/dbraw/zinc/59/76/96/780597696.db2.gz UXGDFTZOZFUAJP-WBVHZDCISA-N 0 3 290.451 2.855 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033195060 780610248 /nfs/dbraw/zinc/61/02/48/780610248.db2.gz RHPSQUAJIPFGSC-ISXOHVOVSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033195717 780610759 /nfs/dbraw/zinc/61/07/59/780610759.db2.gz JTCJZYGGIDRAIQ-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN CC#CCNC1(CNC(=O)C2CCCCCCC2)CCC1 ZINC001273122124 780636126 /nfs/dbraw/zinc/63/61/26/780636126.db2.gz MSHQNADGIHVAJE-UHFFFAOYSA-N 0 3 290.451 2.999 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccn(CC)c2C)C1 ZINC001033354141 780660074 /nfs/dbraw/zinc/66/00/74/780660074.db2.gz NNQVISNREQZXJW-OAHLLOKOSA-N 0 3 289.423 2.539 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccn(CC)c2C)C1 ZINC001033354140 780660174 /nfs/dbraw/zinc/66/01/74/780660174.db2.gz NNQVISNREQZXJW-HNNXBMFYSA-N 0 3 289.423 2.539 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033377384 780669526 /nfs/dbraw/zinc/66/95/26/780669526.db2.gz AQRLUVJHJMRIQM-INIZCTEOSA-N 0 3 297.402 2.890 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001033390029 780674064 /nfs/dbraw/zinc/67/40/64/780674064.db2.gz HOHXVUVFUROKAI-KRWDZBQOSA-N 0 3 286.419 2.565 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033444538 780683920 /nfs/dbraw/zinc/68/39/20/780683920.db2.gz RLAJRCYETHYOLY-HNNXBMFYSA-N 0 3 297.402 2.890 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C2CC2)C2CC2)C1 ZINC001033567634 780713574 /nfs/dbraw/zinc/71/35/74/780713574.db2.gz BNNKQQGMFIIYTK-OAHLLOKOSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033638514 780738739 /nfs/dbraw/zinc/73/87/39/780738739.db2.gz KQIJAAKXWGHZOE-KRWDZBQOSA-N 0 3 298.430 2.827 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033785747 780786015 /nfs/dbraw/zinc/78/60/15/780786015.db2.gz MNPBRRJWYFMEDW-CQSZACIVSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001033798361 780788740 /nfs/dbraw/zinc/78/87/40/780788740.db2.gz KOIYXDVSAHCKHN-HNNXBMFYSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033872627 780813274 /nfs/dbraw/zinc/81/32/74/780813274.db2.gz NGZODCFWTOAJGA-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033971695 780844054 /nfs/dbraw/zinc/84/40/54/780844054.db2.gz KFWKMMRDJZZMHR-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cccn2CC)C1 ZINC001034039391 780863280 /nfs/dbraw/zinc/86/32/80/780863280.db2.gz IGJWYYMNTZQVEJ-HNNXBMFYSA-N 0 3 289.423 2.621 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001034080217 780880642 /nfs/dbraw/zinc/88/06/42/780880642.db2.gz JWTTZWLCDGIACQ-MRXNPFEDSA-N 0 3 290.382 2.986 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001034088495 780883692 /nfs/dbraw/zinc/88/36/92/780883692.db2.gz YBFGBHUMXJCCML-HNNXBMFYSA-N 0 3 272.392 2.765 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001034166484 780914316 /nfs/dbraw/zinc/91/43/16/780914316.db2.gz XWWWIGDSOIHKRR-HOTGVXAUSA-N 0 3 289.423 2.596 20 30 CFEDHN C#CCCN1CCCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001034207508 780922553 /nfs/dbraw/zinc/92/25/53/780922553.db2.gz MAZLZEPJRHJPGB-CQSZACIVSA-N 0 3 290.432 2.664 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001034236896 780931096 /nfs/dbraw/zinc/93/10/96/780931096.db2.gz OPPQLQGBVBJJPW-STQMWFEESA-N 0 3 286.366 2.579 20 30 CFEDHN N#Cc1cncc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC001241501550 780945881 /nfs/dbraw/zinc/94/58/81/780945881.db2.gz LXMFFZSINLKIII-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356724 780950320 /nfs/dbraw/zinc/95/03/20/780950320.db2.gz SLFSOXISNOYOOQ-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034345154 780951574 /nfs/dbraw/zinc/95/15/74/780951574.db2.gz MSHGFMZSSKNRDG-NVXWUHKLSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034376297 780961540 /nfs/dbraw/zinc/96/15/40/780961540.db2.gz VEPKCAXGOLRNIN-KRWDZBQOSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034388555 780963624 /nfs/dbraw/zinc/96/36/24/780963624.db2.gz HGIWEVCEHLLPRC-QLFBSQMISA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034425256 780968299 /nfs/dbraw/zinc/96/82/99/780968299.db2.gz PKZKMAMTNYEYCN-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001034431241 780975009 /nfs/dbraw/zinc/97/50/09/780975009.db2.gz IBPBDFUPVRJFCB-GJZGRUSLSA-N 0 3 290.407 2.848 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034438091 780976511 /nfs/dbraw/zinc/97/65/11/780976511.db2.gz BZBKJTPBJPEQLF-IXDOHACOSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC001034520324 780993246 /nfs/dbraw/zinc/99/32/46/780993246.db2.gz VGJMKLMUDPNTNX-OAHLLOKOSA-N 0 3 290.382 2.525 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001034548027 780997254 /nfs/dbraw/zinc/99/72/54/780997254.db2.gz ZFNLJWKDGXEYPM-INIZCTEOSA-N 0 3 290.382 2.926 20 30 CFEDHN CCN1CCN(c2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001241739355 781103793 /nfs/dbraw/zinc/10/37/93/781103793.db2.gz YQISPOIBTGZNTG-UHFFFAOYSA-N 0 3 292.386 2.762 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1CC(F)(F)C1)CC2 ZINC001035678649 781155333 /nfs/dbraw/zinc/15/53/33/781155333.db2.gz NXZFEEWISNEOON-UHFFFAOYSA-N 0 3 298.377 2.532 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)C1CC1)CC2 ZINC001035679808 781156557 /nfs/dbraw/zinc/15/65/57/781156557.db2.gz YLOVSZBTVXRPEK-AWEZNQCLSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C(F)F)CC1)CC2 ZINC001035705082 781160069 /nfs/dbraw/zinc/16/00/69/781160069.db2.gz SQJFMNSVOIUODW-UHFFFAOYSA-N 0 3 298.377 2.532 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)C)CC2 ZINC001035809276 781173717 /nfs/dbraw/zinc/17/37/17/781173717.db2.gz MESIXMQRIFDYDP-HNNXBMFYSA-N 0 3 278.440 2.779 20 30 CFEDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000709502296 781312115 /nfs/dbraw/zinc/31/21/15/781312115.db2.gz NGQMNCGWSQVARV-NEPJUHHUSA-N 0 3 279.409 2.645 20 30 CFEDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000709502302 781312443 /nfs/dbraw/zinc/31/24/43/781312443.db2.gz NGQMNCGWSQVARV-RYUDHWBXSA-N 0 3 279.409 2.645 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NCc1cccc2c1OCO2 ZINC000710016304 781326657 /nfs/dbraw/zinc/32/66/57/781326657.db2.gz LCXDNPHZBVPCBU-NSHDSACASA-N 0 3 260.337 2.833 20 30 CFEDHN C#Cc1ccc(-c2cc(CN(C)CCOC)ccn2)cc1 ZINC001242293879 781373021 /nfs/dbraw/zinc/37/30/21/781373021.db2.gz RORACUOPFGQNCL-UHFFFAOYSA-N 0 3 280.371 2.808 20 30 CFEDHN CC1(C)CC[C@H](CNCC#Cc2ccccc2)OC1 ZINC000711375154 781417011 /nfs/dbraw/zinc/41/70/11/781417011.db2.gz ALJXSBAKIHKQOE-MRXNPFEDSA-N 0 3 257.377 2.833 20 30 CFEDHN C#CCNC1(CNC(=O)c2ccc(CC(C)C)cc2)CCC1 ZINC001273194923 781566930 /nfs/dbraw/zinc/56/69/30/781566930.db2.gz MBDFOGXDDUPVJY-UHFFFAOYSA-N 0 3 298.430 2.760 20 30 CFEDHN CC#CCNC1(CNC(=O)c2cc3ccccc3o2)CCC1 ZINC001273195701 781584628 /nfs/dbraw/zinc/58/46/28/781584628.db2.gz UCILYDVCLJKCDE-UHFFFAOYSA-N 0 3 296.370 2.698 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001079650633 781611306 /nfs/dbraw/zinc/61/13/06/781611306.db2.gz BGPQRWGKRNAAPH-BXUZGUMPSA-N 0 3 276.380 2.523 20 30 CFEDHN C=CCCN1C[C@@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC001079662664 781615038 /nfs/dbraw/zinc/61/50/38/781615038.db2.gz ZYADDXLLKSSTBY-ZYHUDNBSSA-N 0 3 282.384 2.513 20 30 CFEDHN Cc1ccc(-c2cnccc2N2CCOCC2)c(C#N)c1 ZINC001242592455 781625113 /nfs/dbraw/zinc/62/51/13/781625113.db2.gz HIDOMDBVVCHIET-UHFFFAOYSA-N 0 3 279.343 2.765 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001080306216 781646838 /nfs/dbraw/zinc/64/68/38/781646838.db2.gz JAWHVDPVSPNWKO-CZUORRHYSA-N 0 3 289.423 2.614 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001080355912 781653335 /nfs/dbraw/zinc/65/33/35/781653335.db2.gz BCNBUCMJCAIADV-CRAIPNDOSA-N 0 3 298.430 2.713 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001080384553 781653871 /nfs/dbraw/zinc/65/38/71/781653871.db2.gz DKQHSMDKHULTAO-GDBMZVCRSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001080803318 781677940 /nfs/dbraw/zinc/67/79/40/781677940.db2.gz WLYWCOKWDIASEA-HLLBOEOZSA-N 0 3 286.419 2.721 20 30 CFEDHN CCN1CCCC[C@@H]1c1ccc(N(C)CC#N)nc1 ZINC001165095972 781736087 /nfs/dbraw/zinc/73/60/87/781736087.db2.gz UEDKQTXNQXQFAA-CQSZACIVSA-N 0 3 258.369 2.588 20 30 CFEDHN CC(=NN[C@H]1CCCSC1)c1ccc(N)cc1C ZINC001119364410 781766571 /nfs/dbraw/zinc/76/65/71/781766571.db2.gz LZDBAVOHGJWUSE-ZDUSSCGKSA-N 0 3 263.410 2.786 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001084181970 781776980 /nfs/dbraw/zinc/77/69/80/781776980.db2.gz LDWVZKVWWPSKLH-GDBMZVCRSA-N 0 3 288.391 2.619 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001084262687 781784018 /nfs/dbraw/zinc/78/40/18/781784018.db2.gz AYAYKKOVCRKWTI-HZPDHXFCSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)CC(C)(C)C3CC3)[C@@H]2C1 ZINC001084326724 781787649 /nfs/dbraw/zinc/78/76/49/781787649.db2.gz VKMMPXFDLLXLHU-GDBMZVCRSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084392638 781792834 /nfs/dbraw/zinc/79/28/34/781792834.db2.gz XKHVXTQQPNWHGA-BFHYXJOUSA-N 0 3 298.377 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084639104 781813275 /nfs/dbraw/zinc/81/32/75/781813275.db2.gz FLEYKHPCGXELBS-ARFHVFGLSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCOC(C)C ZINC001098922939 781846057 /nfs/dbraw/zinc/84/60/57/781846057.db2.gz WEBLPDDDNWNMOW-OAHLLOKOSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21 ZINC001084954160 781867104 /nfs/dbraw/zinc/86/71/04/781867104.db2.gz QROBWVYHSDBAFY-RDBSUJKOSA-N 0 3 298.377 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001085025876 781882886 /nfs/dbraw/zinc/88/28/86/781882886.db2.gz KHHNPDHWSOTASJ-OAGGEKHMSA-N 0 3 290.451 2.922 20 30 CFEDHN N#CC1CCC(CN[C@@H]2CCCn3ccnc32)CC1 ZINC000594503974 349433974 /nfs/dbraw/zinc/43/39/74/349433974.db2.gz KTKHSXOXCDWSKC-JXQTWKCFSA-N 0 3 258.369 2.638 20 30 CFEDHN Cc1cc(CNC[C@@H](C)C(=O)OC(C)(C)C)ccc1C#N ZINC000594512983 349436751 /nfs/dbraw/zinc/43/67/51/349436751.db2.gz ADBNRJPGRPELKV-CYBMUJFWSA-N 0 3 288.391 2.934 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CO1 ZINC000594513890 349437047 /nfs/dbraw/zinc/43/70/47/349437047.db2.gz ULNKHCRHRGHUNY-DOMZBBRYSA-N 0 3 258.365 2.755 20 30 CFEDHN CC(C)N1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC1=O ZINC000594514186 349437264 /nfs/dbraw/zinc/43/72/64/349437264.db2.gz ROKNRFXHCOEPJC-MRXNPFEDSA-N 0 3 299.418 2.587 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594514777 349438063 /nfs/dbraw/zinc/43/80/63/349438063.db2.gz AWSFQAYDQLCCBI-WDMOLILDSA-N 0 3 271.320 2.864 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)cc1F)C(=O)OC(C)(C)C ZINC000594514869 349438490 /nfs/dbraw/zinc/43/84/90/349438490.db2.gz LLFMNGNOSWOELD-LLVKDONJSA-N 0 3 292.354 2.765 20 30 CFEDHN COc1cc(CNCCc2ncc(C)cc2C)ccc1C#N ZINC000594522350 349440777 /nfs/dbraw/zinc/44/07/77/349440777.db2.gz QBGCLGZYHVPEED-UHFFFAOYSA-N 0 3 295.386 2.911 20 30 CFEDHN Cc1nsc(N[C@H]2CCCN3CCCC[C@H]23)c1C#N ZINC000594603937 349459716 /nfs/dbraw/zinc/45/97/16/349459716.db2.gz WMFHNHWVGQIHIK-QWHCGFSZSA-N 0 3 276.409 2.752 20 30 CFEDHN COC(=O)c1cc(CNCC(C)(C)CCC#N)c(C)o1 ZINC000594606899 349460830 /nfs/dbraw/zinc/46/08/30/349460830.db2.gz NJEYFHCVMGLREC-UHFFFAOYSA-N 0 3 278.352 2.794 20 30 CFEDHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1CCCCO1 ZINC000594612492 349463405 /nfs/dbraw/zinc/46/34/05/349463405.db2.gz SWZRDKSVOMMKNG-CVEARBPZSA-N 0 3 298.390 2.643 20 30 CFEDHN CC(C)OC(=O)C[C@H](NCc1ccc(C#N)o1)C(C)C ZINC000594622363 349465755 /nfs/dbraw/zinc/46/57/55/349465755.db2.gz FGSKJOJMUNCRLI-AWEZNQCLSA-N 0 3 278.352 2.607 20 30 CFEDHN N#CC1(Cn2cc(CNC3CCCC3)nn2)CCCCC1 ZINC000594657786 349470020 /nfs/dbraw/zinc/47/00/20/349470020.db2.gz DZZLZEUDWVQPPR-UHFFFAOYSA-N 0 3 287.411 2.784 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000407993083 260156239 /nfs/dbraw/zinc/15/62/39/260156239.db2.gz KQCSBQWRSWGLPW-MJBXVCDLSA-N 0 3 278.396 2.732 20 30 CFEDHN N#Cc1c(Cl)nsc1N1CCC[C@@H](N2CCCC2)C1 ZINC000301227573 290006128 /nfs/dbraw/zinc/00/61/28/290006128.db2.gz CPUNKGIVCAKNLP-SNVBAGLBSA-N 0 3 296.827 2.733 20 30 CFEDHN Cn1nc(C(F)(F)F)cc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000594952227 349526185 /nfs/dbraw/zinc/52/61/85/349526185.db2.gz DOBCGXHOVZKZTL-UWVGGRQHSA-N 0 3 286.301 2.611 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000594950468 349525619 /nfs/dbraw/zinc/52/56/19/349525619.db2.gz MCFIVEPAXLJULR-HLLBOEOZSA-N 0 3 286.375 2.636 20 30 CFEDHN CC(C)(C)N1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000594957150 349529351 /nfs/dbraw/zinc/52/93/51/349529351.db2.gz OLFLCUMIXFYBBC-CQSZACIVSA-N 0 3 275.371 2.660 20 30 CFEDHN CC[C@@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)CO1 ZINC000594954829 349527350 /nfs/dbraw/zinc/52/73/50/349527350.db2.gz KMCUZYJKUVZTOX-LSDHHAIUSA-N 0 3 256.349 2.704 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1cc(C#N)cs1 ZINC000594955777 349528231 /nfs/dbraw/zinc/52/82/31/349528231.db2.gz DPRPAPVWZUMJLF-CYBMUJFWSA-N 0 3 264.394 2.915 20 30 CFEDHN CC[C@@H](COCC1CC1)NCc1ccc(C#N)c(F)c1 ZINC000594956547 349528247 /nfs/dbraw/zinc/52/82/47/349528247.db2.gz LDIXPWCUZPAKQW-HNNXBMFYSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCCSCCNCc1cncn1C(C)C ZINC000594966345 349533007 /nfs/dbraw/zinc/53/30/07/349533007.db2.gz HBTYWVIYNMPQGB-UHFFFAOYSA-N 0 3 253.415 2.863 20 30 CFEDHN C=CCCSCCNCc1cccc2c1OCO2 ZINC000594960160 349530106 /nfs/dbraw/zinc/53/01/06/349530106.db2.gz LPXVMRBSHKBREH-UHFFFAOYSA-N 0 3 265.378 2.814 20 30 CFEDHN Cc1cn[nH]c1CNC(C)(C)c1cccc(C#N)c1 ZINC000594967881 349534141 /nfs/dbraw/zinc/53/41/41/349534141.db2.gz INUIQEFYJNEIDX-UHFFFAOYSA-N 0 3 254.337 2.615 20 30 CFEDHN C[C@]1(CCNCc2nc(C#N)cs2)CC1(F)F ZINC000594976424 349537072 /nfs/dbraw/zinc/53/70/72/349537072.db2.gz DQLMUEBTXQWPDH-JTQLQIEISA-N 0 3 257.309 2.540 20 30 CFEDHN Cc1cc(CNC[C@@H]2CCC[C@H](C)O2)ccc1C#N ZINC000594985445 349539004 /nfs/dbraw/zinc/53/90/04/349539004.db2.gz MUQITRSYLPUNDX-BBRMVZONSA-N 0 3 258.365 2.914 20 30 CFEDHN N#Cc1cccc(C2(NCc3cccnc3)CCOCC2)c1 ZINC000594983190 349539232 /nfs/dbraw/zinc/53/92/32/349539232.db2.gz HBQXTTXTCJLKJZ-UHFFFAOYSA-N 0 3 293.370 2.749 20 30 CFEDHN COc1cc(CNC[C@H](OC)C2CCCC2)ccc1C#N ZINC000594994599 349542035 /nfs/dbraw/zinc/54/20/35/349542035.db2.gz MPPMFXVADQQZDZ-KRWDZBQOSA-N 0 3 288.391 2.862 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCN2Cc2ccccc2)c1 ZINC000594998968 349543220 /nfs/dbraw/zinc/54/32/20/349543220.db2.gz MYCVYUJFQGVGBC-MRXNPFEDSA-N 0 3 297.427 2.984 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCN2Cc2ccccc2)s1 ZINC000594999964 349543285 /nfs/dbraw/zinc/54/32/85/349543285.db2.gz ZEYASEWMGSTIFL-HNNXBMFYSA-N 0 3 297.427 2.984 20 30 CFEDHN C[C@H](N[C@H](CO)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000595056563 349568418 /nfs/dbraw/zinc/56/84/18/349568418.db2.gz MFTJRYAPHBGJNE-ZUZCIYMTSA-N 0 3 262.328 2.509 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000595058148 349569254 /nfs/dbraw/zinc/56/92/54/349569254.db2.gz YPQFHIQFEQKZDF-LBPRGKRZSA-N 0 3 269.323 2.986 20 30 CFEDHN CCO[C@H]1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000595067178 349573490 /nfs/dbraw/zinc/57/34/90/349573490.db2.gz LTNBEJIPUQYABS-BPNCWPANSA-N 0 3 262.328 2.915 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cccc(C#N)c1 ZINC000595060103 349570351 /nfs/dbraw/zinc/57/03/51/349570351.db2.gz LRNRCDLMRGSZFZ-UXFYUNLUSA-N 0 3 290.432 2.899 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cnc(C(F)(F)F)nc2)C1 ZINC000595061108 349571496 /nfs/dbraw/zinc/57/14/96/349571496.db2.gz PDUOSTISXZMPBZ-MWLCHTKSSA-N 0 3 284.285 2.667 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccnc2N2CCCC2)C1 ZINC000595074060 349575170 /nfs/dbraw/zinc/57/51/70/349575170.db2.gz SUMLBLCGSRFECN-GOEBONIOSA-N 0 3 284.407 2.854 20 30 CFEDHN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1ccc(C#N)cc1F ZINC000595088950 349577628 /nfs/dbraw/zinc/57/76/28/349577628.db2.gz MRILGIJQZZWPTP-NZVBXONLSA-N 0 3 274.339 2.651 20 30 CFEDHN C[C@H](NC[C@H](CO)CC1CC1)c1ccc(C#N)cc1F ZINC000595092828 349579736 /nfs/dbraw/zinc/57/97/36/349579736.db2.gz XHBZRZRUXQAOGX-SMDDNHRTSA-N 0 3 276.355 2.757 20 30 CFEDHN Cn1ncc(C2CCC2)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000595099144 349581165 /nfs/dbraw/zinc/58/11/65/349581165.db2.gz RQKTVQROUJHKIN-TZMCWYRMSA-N 0 3 272.396 2.860 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000595251755 349587237 /nfs/dbraw/zinc/58/72/37/349587237.db2.gz WXRVMSQGJAWQCW-UONOGXRCSA-N 0 3 277.412 2.627 20 30 CFEDHN C[C@H]1CC(CNC(=O)[C@H](N)CCCCC#N)C[C@H](C)C1 ZINC000595257065 349587945 /nfs/dbraw/zinc/58/79/45/349587945.db2.gz PHDIOAJZGVCHQY-UMVBOHGHSA-N 0 3 279.428 2.586 20 30 CFEDHN N#CC1(CNC(=O)C[C@@H](N)c2ccccc2)CCCCC1 ZINC000595258068 349588433 /nfs/dbraw/zinc/58/84/33/349588433.db2.gz HUDNJQDVBGLKBY-OAHLLOKOSA-N 0 3 285.391 2.667 20 30 CFEDHN Cc1cccc2c1CCC[C@H]2NC(=O)[C@H](N)CCCC#N ZINC000595258364 349589131 /nfs/dbraw/zinc/58/91/31/349589131.db2.gz CAYKNCZZVZSTLB-HZPDHXFCSA-N 0 3 285.391 2.510 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@H]1CC1CCC1 ZINC000595258614 349589300 /nfs/dbraw/zinc/58/93/00/349589300.db2.gz DMRJCGMSGVTXOV-JKSUJKDBSA-N 0 3 291.439 2.969 20 30 CFEDHN CO[C@H](CN(C)Cc1ccc(C#N)cc1)C1CCC1 ZINC000595289892 349591911 /nfs/dbraw/zinc/59/19/11/349591911.db2.gz RBLXGGSUPIVIKM-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN Cc1ncc(CN(C)CCc2ccc(C#N)cc2)s1 ZINC000595297824 349596232 /nfs/dbraw/zinc/59/62/32/349596232.db2.gz PFOUIEPTSZHJDD-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN N#Cc1ccc(CCN2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000595351784 349609834 /nfs/dbraw/zinc/60/98/34/349609834.db2.gz HNUBNAPAYFYPNA-GOSISDBHSA-N 0 3 293.370 2.649 20 30 CFEDHN CO[C@@H](CNC1(c2cccc(C#N)c2)CC1)C1CCC1 ZINC000595418034 349619623 /nfs/dbraw/zinc/61/96/23/349619623.db2.gz NJYYQBOEIJOGGV-INIZCTEOSA-N 0 3 270.376 2.952 20 30 CFEDHN CO[C@H](CN1CCC(C)(C#N)CC1)C1CCCC1 ZINC000595431057 349624424 /nfs/dbraw/zinc/62/44/24/349624424.db2.gz XENOKIINZBRYMA-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN N#Cc1ccc(CCN2CCOCC3(CCC3)C2)cc1 ZINC000595437221 349626012 /nfs/dbraw/zinc/62/60/12/349626012.db2.gz DVIZZUNPSFTYFG-UHFFFAOYSA-N 0 3 270.376 2.603 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2c(C)cccc2CC)CC1 ZINC000068918419 346876349 /nfs/dbraw/zinc/87/63/49/346876349.db2.gz HWUGXAVHHMHCSS-UHFFFAOYSA-N 0 3 284.403 2.841 20 30 CFEDHN C[C@@H]1CN([C@@H](C#N)c2ccccc2)CCN(C2CC2)C1 ZINC000595506688 349645667 /nfs/dbraw/zinc/64/56/67/349645667.db2.gz GGEUUMXCOQNQBW-YOEHRIQHSA-N 0 3 269.392 2.667 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000069346614 346889478 /nfs/dbraw/zinc/88/94/78/346889478.db2.gz GZIDXJORPCKMJZ-ZDUSSCGKSA-N 0 3 276.380 2.668 20 30 CFEDHN N#CC[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595618451 349678394 /nfs/dbraw/zinc/67/83/94/349678394.db2.gz YDVJBDRFCFXYQW-MRXNPFEDSA-N 0 3 253.349 2.726 20 30 CFEDHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000414206871 529473334 /nfs/dbraw/zinc/47/33/34/529473334.db2.gz KAGRZEBDTRRJLA-KMUNFCNLSA-N 0 3 262.328 2.915 20 30 CFEDHN C=CCN(Cc1ccc(C#N)c(C)c1)[C@@H](C)COC ZINC000595639689 349685523 /nfs/dbraw/zinc/68/55/23/349685523.db2.gz WJJIOSYTQCFGAP-AWEZNQCLSA-N 0 3 258.365 2.890 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)o2)C1 ZINC000595659122 349693756 /nfs/dbraw/zinc/69/37/56/349693756.db2.gz KRCXLVJBPSRXLA-GFCCVEGCSA-N 0 3 263.337 2.854 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000347198267 529535200 /nfs/dbraw/zinc/53/52/00/529535200.db2.gz VQSUFVUUUJXSCL-BQBZGAKWSA-N 0 3 291.298 2.889 20 30 CFEDHN COC[C@H](NCCCSCC#N)c1cccc(OC)c1 ZINC000595683758 349699117 /nfs/dbraw/zinc/69/91/17/349699117.db2.gz JZRPFVFREUHKJJ-HNNXBMFYSA-N 0 3 294.420 2.619 20 30 CFEDHN C[C@@H]1COC2(CCC2)CN1CCCC1(C#N)CCOCC1 ZINC000595684018 349699426 /nfs/dbraw/zinc/69/94/26/349699426.db2.gz YUEFDOFYQLUVBC-OAHLLOKOSA-N 0 3 292.423 2.730 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688977 349700897 /nfs/dbraw/zinc/70/08/97/349700897.db2.gz MEBGIUAEOAOBIG-RRQGHBQHSA-N 0 3 270.376 2.978 20 30 CFEDHN COc1ccc(CN2CCC[C@H](C)[C@H]2CCO)cc1C#N ZINC000595698651 349707770 /nfs/dbraw/zinc/70/77/70/349707770.db2.gz NLGQNFVOCPVGHS-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN CC[C@@H](Cn1cncn1)N[C@H](CCC#N)c1ccccc1 ZINC000353249556 529549808 /nfs/dbraw/zinc/54/98/08/529549808.db2.gz DNDGIBWTLRPHJZ-JKSUJKDBSA-N 0 3 283.379 2.691 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@](O)(C2CC2)C1 ZINC000595751493 349722360 /nfs/dbraw/zinc/72/23/60/349722360.db2.gz RJOWGGYRVKTOFX-GUYCJALGSA-N 0 3 270.376 2.856 20 30 CFEDHN CCC1(CC)CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000595751985 349722973 /nfs/dbraw/zinc/72/29/73/349722973.db2.gz HMGAIXNXIZNHEN-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H]1COC2(CCCC2)CN1CCCSCC#N ZINC000595815089 349739303 /nfs/dbraw/zinc/73/93/03/349739303.db2.gz LEMAOOUDYPBHQW-CYBMUJFWSA-N 0 3 268.426 2.667 20 30 CFEDHN C=CCN(CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000595763958 349726589 /nfs/dbraw/zinc/72/65/89/349726589.db2.gz TUADSXULZNUFBF-UHFFFAOYSA-N 0 3 277.412 2.616 20 30 CFEDHN CC[C@@H](NCc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000595764840 349727194 /nfs/dbraw/zinc/72/71/94/349727194.db2.gz DUWOOZHONPRFFE-OAHLLOKOSA-N 0 3 272.348 2.623 20 30 CFEDHN N#Cc1ccccc1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907419 349765285 /nfs/dbraw/zinc/76/52/85/349765285.db2.gz BJYVMLWNOBAAGZ-HDICACEKSA-N 0 3 282.387 2.951 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H]1CC1(C)C ZINC000595913832 349767667 /nfs/dbraw/zinc/76/76/67/349767667.db2.gz VMXLMCOMRXNBEG-OCCSQVGLSA-N 0 3 285.391 2.863 20 30 CFEDHN N#CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976366 346919178 /nfs/dbraw/zinc/91/91/78/346919178.db2.gz CHLKRUZYACWROL-OAHLLOKOSA-N 0 3 274.364 2.677 20 30 CFEDHN N#CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976366 346919180 /nfs/dbraw/zinc/91/91/80/346919180.db2.gz CHLKRUZYACWROL-OAHLLOKOSA-N 0 3 274.364 2.677 20 30 CFEDHN CC1CCN(CCNc2nc3ncccc3cc2C#N)CC1 ZINC000596077663 349788396 /nfs/dbraw/zinc/78/83/96/349788396.db2.gz LIZXGZSVPPVWMJ-UHFFFAOYSA-N 0 3 295.390 2.645 20 30 CFEDHN Cc1ccc(C#N)nc1N[C@@H](C)CN1CCCCC1 ZINC000596078255 349789029 /nfs/dbraw/zinc/78/90/29/349789029.db2.gz UOJWUBLUYKHDON-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN N#Cc1nc(N2CCC[C@@H](N3CCCC3)C2)sc1Cl ZINC000596082798 349789737 /nfs/dbraw/zinc/78/97/37/349789737.db2.gz MWQRMEDBHHQHOK-SNVBAGLBSA-N 0 3 296.827 2.733 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCOCCF ZINC000596096680 349793820 /nfs/dbraw/zinc/79/38/20/349793820.db2.gz XAEDUCQCUWODBI-HNNXBMFYSA-N 0 3 262.328 2.511 20 30 CFEDHN N#Cc1nc(N2CC[C@@H](N3CCCCC3)C2)sc1Cl ZINC000596121057 349799059 /nfs/dbraw/zinc/79/90/59/349799059.db2.gz JLKMZCWRVFCVIU-SNVBAGLBSA-N 0 3 296.827 2.733 20 30 CFEDHN N#Cc1cccnc1N1CCN(CCC2CCCC2)CC1 ZINC000158739564 136396524 /nfs/dbraw/zinc/39/65/24/136396524.db2.gz UBRFKPNYBGGRPO-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN C[C@@H]1C[C@H](Nc2nc3ncccc3cc2C#N)CN1C1CC1 ZINC000596156685 349811696 /nfs/dbraw/zinc/81/16/96/349811696.db2.gz RGTRMQXDGZIPBE-RISCZKNCSA-N 0 3 293.374 2.539 20 30 CFEDHN C#CCOc1ccccc1CNCC1(CCO)CCCC1 ZINC000072925964 346949321 /nfs/dbraw/zinc/94/93/21/346949321.db2.gz DEDUXYPMPPYIMG-UHFFFAOYSA-N 0 3 287.403 2.731 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000073279230 346967513 /nfs/dbraw/zinc/96/75/13/346967513.db2.gz WUVKPOAZIRVYMX-OAHLLOKOSA-N 0 3 280.799 2.929 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1c(C#N)cnc2ccccc21 ZINC000596306558 349858122 /nfs/dbraw/zinc/85/81/22/349858122.db2.gz FXNCRUXWMSVIJY-CQSZACIVSA-N 0 3 294.402 2.813 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(F)cc1C#N ZINC000596307382 349858248 /nfs/dbraw/zinc/85/82/48/349858248.db2.gz LOFWXTNHVGZQAN-CYBMUJFWSA-N 0 3 261.344 2.982 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(C#N)cc1 ZINC000596441710 349904550 /nfs/dbraw/zinc/90/45/50/349904550.db2.gz QPFKBMNXSOCHFW-AWEZNQCLSA-N 0 3 286.379 2.553 20 30 CFEDHN C=CCCCN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000204707719 539399624 /nfs/dbraw/zinc/39/96/24/539399624.db2.gz DUFDDLDGDACABW-CQSZACIVSA-N 0 3 252.402 2.709 20 30 CFEDHN CN1CCC(CC(=O)Nc2cccc3c2OCO3)CC1 ZINC000330177709 530048525 /nfs/dbraw/zinc/04/85/25/530048525.db2.gz KYDMICBYBQSLBW-UHFFFAOYSA-N 0 3 276.336 2.735 20 30 CFEDHN C=CCN1CCC(NC(=O)C2CCC3(CC3)CC2)CC1 ZINC000668369440 539430725 /nfs/dbraw/zinc/43/07/25/539430725.db2.gz XVHWNYJJMNMFDC-UHFFFAOYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccc(F)s2)CC1 ZINC000668370082 539431058 /nfs/dbraw/zinc/43/10/58/539431058.db2.gz MWEZVFZZCYOLQY-UHFFFAOYSA-N 0 3 282.384 2.658 20 30 CFEDHN Cc1nsc(NC[C@@H](C(C)C)N2CCCC2)c1C#N ZINC000288141818 282441253 /nfs/dbraw/zinc/44/12/53/282441253.db2.gz NLNBMLNKYWJSBB-ZDUSSCGKSA-N 0 3 278.425 2.856 20 30 CFEDHN Cc1ccccc1CCN(C)Cc1cc(C#N)n(C)c1 ZINC000295123855 199358320 /nfs/dbraw/zinc/35/83/20/199358320.db2.gz NOJARHCXBREIHZ-UHFFFAOYSA-N 0 3 267.376 2.880 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000668493217 539534435 /nfs/dbraw/zinc/53/44/35/539534435.db2.gz KXGQMXUKNGLPBD-ZDUSSCGKSA-N 0 3 275.396 2.505 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnc3cnccn23)C1 ZINC000668493484 539535284 /nfs/dbraw/zinc/53/52/84/539535284.db2.gz OAQSEBOZPOMCDI-ZDUSSCGKSA-N 0 3 256.353 2.517 20 30 CFEDHN CC(C)[C@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000030148893 346286769 /nfs/dbraw/zinc/28/67/69/346286769.db2.gz ANTVIIYDDHKTNB-JTQLQIEISA-N 0 3 265.382 2.535 20 30 CFEDHN CCc1ccc([C@H](CNC(=O)C(C)(C)C#N)N(C)C)cc1 ZINC000042105663 346360967 /nfs/dbraw/zinc/36/09/67/346360967.db2.gz GKBPCVKQRWCIKM-HNNXBMFYSA-N 0 3 287.407 2.518 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)c(F)c2)nc(C)n1 ZINC000049405167 346483139 /nfs/dbraw/zinc/48/31/39/346483139.db2.gz RURBHXDSOLISSI-LLVKDONJSA-N 0 3 287.269 2.862 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000050028371 346488769 /nfs/dbraw/zinc/48/87/69/346488769.db2.gz WOQHYHJDKLIHPX-SFHVURJKSA-N 0 3 296.414 2.599 20 30 CFEDHN CCCCN(CCCC)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000052870526 346531339 /nfs/dbraw/zinc/53/13/39/346531339.db2.gz YCPJRCHAWRSHEW-MRXNPFEDSA-N 0 3 279.428 2.697 20 30 CFEDHN Cc1noc([C@H]2CCCN(Cc3ccc(C#N)cc3)C2)n1 ZINC000054677681 346574907 /nfs/dbraw/zinc/57/49/07/346574907.db2.gz SXZLRNVJHIKGLZ-HNNXBMFYSA-N 0 3 282.347 2.629 20 30 CFEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCC[C@@H](C)C1 ZINC000063749412 346709755 /nfs/dbraw/zinc/70/97/55/346709755.db2.gz NVXMHHJZANSNNH-HUUCEWRRSA-N 0 3 291.439 2.697 20 30 CFEDHN CC[C@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000061745535 346681734 /nfs/dbraw/zinc/68/17/34/346681734.db2.gz DCGJOYNWVUBGRZ-HNNXBMFYSA-N 0 3 291.439 2.936 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)CC(C)C)cc1OC ZINC000067224234 346795499 /nfs/dbraw/zinc/79/54/99/346795499.db2.gz OTPJOSBGDGDLEM-HNNXBMFYSA-N 0 3 293.407 2.757 20 30 CFEDHN CCN(Cc1cn2ccccc2c1C#N)C[C@H]1CCOC1 ZINC000076719818 347150238 /nfs/dbraw/zinc/15/02/38/347150238.db2.gz ZCTCOPMSDHNXNZ-CQSZACIVSA-N 0 3 283.375 2.669 20 30 CFEDHN C=CCCCN(C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000076734715 347150406 /nfs/dbraw/zinc/15/04/06/347150406.db2.gz DQFBDGFPBBBHBX-OKILXGFUSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCCN(C)C[C@@H](O)c1c(F)cccc1F ZINC000076736456 347151063 /nfs/dbraw/zinc/15/10/63/347151063.db2.gz VLMPWTRUZRTWQR-CYBMUJFWSA-N 0 3 255.308 2.896 20 30 CFEDHN COC1CCN(CCNc2ccc(Cl)cc2C#N)CC1 ZINC000080250403 347351029 /nfs/dbraw/zinc/35/10/29/347351029.db2.gz AQCUNYHEXCNXLC-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000080917869 347384812 /nfs/dbraw/zinc/38/48/12/347384812.db2.gz PTIWYZHDVZUDKN-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN C=CCCC[C@H](C)N1CCN(Cc2ccon2)CC1 ZINC000091512485 347591064 /nfs/dbraw/zinc/59/10/64/347591064.db2.gz YTJAGNAOZODWFJ-AWEZNQCLSA-N 0 3 263.385 2.537 20 30 CFEDHN N#Cc1ccncc1N1CCN(CC2CCCCC2)CC1 ZINC000094151127 347692838 /nfs/dbraw/zinc/69/28/38/347692838.db2.gz UGYXEWJZXYERQY-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC)CCCC)CC1 ZINC000106275351 347730996 /nfs/dbraw/zinc/73/09/96/347730996.db2.gz IVXSMLAKPREHPN-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN N#Cc1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000111249661 347751626 /nfs/dbraw/zinc/75/16/26/347751626.db2.gz WJYWWUCNFBHVMF-HOCLYGCPSA-N 0 3 283.375 2.761 20 30 CFEDHN CCc1nnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c(C#N)c1CC ZINC000128643869 187381616 /nfs/dbraw/zinc/38/16/16/187381616.db2.gz DEUJURRXFVAITQ-RYUDHWBXSA-N 0 3 299.422 2.510 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN(CC(N)=O)C1CCCC1 ZINC000135128415 347904497 /nfs/dbraw/zinc/90/44/97/347904497.db2.gz YNCACKGRXLFNHF-UHFFFAOYSA-N 0 3 299.418 2.718 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccncc2)CC1 ZINC000151284710 347960832 /nfs/dbraw/zinc/96/08/32/347960832.db2.gz CFMUIKYXJDRJGW-OAHLLOKOSA-N 0 3 292.386 2.836 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCC(C)(C)C)CC1 ZINC000159229916 348011375 /nfs/dbraw/zinc/01/13/75/348011375.db2.gz KZKKACCTHVSDPP-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C)C[C@H]1CCCO1 ZINC000165453868 348038755 /nfs/dbraw/zinc/03/87/55/348038755.db2.gz VGLJHPRFOUYIJG-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN COc1ccc([C@H](CCO)NCc2ccc(C#N)cc2)cc1 ZINC000128741957 187386687 /nfs/dbraw/zinc/38/66/87/187386687.db2.gz FEAFNYBZHAJGBP-SFHVURJKSA-N 0 3 296.370 2.780 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)C(C)C)CC1 ZINC000172385392 348092701 /nfs/dbraw/zinc/09/27/01/348092701.db2.gz YWFZIQUUSVVJGD-AWEZNQCLSA-N 0 3 281.444 2.618 20 30 CFEDHN CCN1CCN(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000233508315 348217295 /nfs/dbraw/zinc/21/72/95/348217295.db2.gz OVHNHLAXQHSFHZ-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN CCS[C@H]1CCC[C@H]1NCc1ccnc(C#N)c1 ZINC000233849572 348218330 /nfs/dbraw/zinc/21/83/30/348218330.db2.gz HUQBLCDPNPTHNI-KGLIPLIRSA-N 0 3 261.394 2.717 20 30 CFEDHN CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000230265097 348205159 /nfs/dbraw/zinc/20/51/59/348205159.db2.gz IENXNGCDTWVTDO-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CCOc1ccccc1CNCCCc1cnn(C)c1 ZINC000237778386 348242301 /nfs/dbraw/zinc/24/23/01/348242301.db2.gz GPSXLFZGUGAKLI-UHFFFAOYSA-N 0 3 285.391 2.707 20 30 CFEDHN C=CCN(Cc1ccc(OCCOC)cc1)C1CC1 ZINC000273349735 192122585 /nfs/dbraw/zinc/12/25/85/192122585.db2.gz AWGUCCCZEGGRDV-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN N#Cc1cnc(N[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413027076 233006796 /nfs/dbraw/zinc/00/67/96/233006796.db2.gz KXJLQHRWDQJXKT-HNNXBMFYSA-N 0 3 296.349 2.779 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000320250272 348435805 /nfs/dbraw/zinc/43/58/05/348435805.db2.gz AZUGPBLMKVAVIC-LBPRGKRZSA-N 0 3 274.364 2.626 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cc(F)c(F)cc1F ZINC000321498157 348437205 /nfs/dbraw/zinc/43/72/05/348437205.db2.gz UMQISHWICUHUDM-JTQLQIEISA-N 0 3 259.271 2.521 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)c1c(F)cccc1F ZINC000335999087 348450415 /nfs/dbraw/zinc/45/04/15/348450415.db2.gz OFRKNQLPGPWQAX-DTWKUNHWSA-N 0 3 252.264 2.644 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CCC1CC1 ZINC000355046848 348502551 /nfs/dbraw/zinc/50/25/51/348502551.db2.gz ZPXAPQXPACMOKY-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@@H](c2ccncn2)C1 ZINC000363472953 348508625 /nfs/dbraw/zinc/50/86/25/348508625.db2.gz WNPQQQCGTUQAOQ-CYBMUJFWSA-N 0 3 258.369 2.596 20 30 CFEDHN C#CCCN1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000365029797 348510834 /nfs/dbraw/zinc/51/08/34/348510834.db2.gz RJBMFKHERWTTAS-KRWDZBQOSA-N 0 3 290.451 2.509 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCN(CC3CCCC3)C2)c(F)c1 ZINC000413159623 233025868 /nfs/dbraw/zinc/02/58/68/233025868.db2.gz BNBKZCCYFPAYOW-CQSZACIVSA-N 0 3 288.370 2.769 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379711821 348521910 /nfs/dbraw/zinc/52/19/10/348521910.db2.gz GXYLOIYBECAXHZ-OIISXLGYSA-N 0 3 299.418 2.705 20 30 CFEDHN C[C@H](CN1CCCCCC1)Nc1ncc(C#N)cc1F ZINC000413235711 233039109 /nfs/dbraw/zinc/03/91/09/233039109.db2.gz SBJWUITYARKXGO-GFCCVEGCSA-N 0 3 276.359 2.769 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398107523 348566378 /nfs/dbraw/zinc/56/63/78/348566378.db2.gz AORFWMJAOOMBAV-DJIMGWMZSA-N 0 3 299.418 2.563 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000398971725 348567695 /nfs/dbraw/zinc/56/76/95/348567695.db2.gz WMQYZRGZVYOIOF-HNNXBMFYSA-N 0 3 253.349 2.878 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCCC2)C1 ZINC000526061685 348646053 /nfs/dbraw/zinc/64/60/53/348646053.db2.gz MJIDYFNTJJSMOW-CQSZACIVSA-N 0 3 289.423 2.594 20 30 CFEDHN C=CCCC[C@H](C)N1CC[S@](=O)C(C)(C)CC1 ZINC000451751666 348622531 /nfs/dbraw/zinc/62/25/31/348622531.db2.gz CHWDOJJJZUSVBK-GUYCJALGSA-N 0 3 257.443 2.964 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@]1(C)CCCO1 ZINC000585726026 348740249 /nfs/dbraw/zinc/74/02/49/348740249.db2.gz PWYRKQVFWGDQAM-NHYWBVRUSA-N 0 3 262.328 2.745 20 30 CFEDHN COC(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000589193463 348817831 /nfs/dbraw/zinc/81/78/31/348817831.db2.gz ITZHRAPHYNADPZ-HIFRSBDPSA-N 0 3 272.348 2.645 20 30 CFEDHN CC(C)(C)N1C[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)CC1=O ZINC000589341397 348828074 /nfs/dbraw/zinc/82/80/74/348828074.db2.gz CISNEYAWSUMEQS-GOEBONIOSA-N 0 3 297.402 2.535 20 30 CFEDHN Cc1ccc(NC(=O)c2cccc(C#N)n2)c(CN(C)C)c1 ZINC000589417168 348831898 /nfs/dbraw/zinc/83/18/98/348831898.db2.gz QYOKIPHWMKDUMG-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cccc(C#N)n1 ZINC000589615195 348842802 /nfs/dbraw/zinc/84/28/02/348842802.db2.gz ZUJVEDOSKYGRPF-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN CN1CCC(CC(=O)N[C@](C)(C#N)C2CCCCC2)CC1 ZINC000589838314 348859651 /nfs/dbraw/zinc/85/96/51/348859651.db2.gz BGKLQLNRXGIOQU-QGZVFWFLSA-N 0 3 291.439 2.697 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H](CCO)C2)cc1 ZINC000093105718 539684888 /nfs/dbraw/zinc/68/48/88/539684888.db2.gz HJLOVQGSSTZXQJ-HNNXBMFYSA-N 0 3 275.392 2.846 20 30 CFEDHN N#CC1(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000590143742 348877453 /nfs/dbraw/zinc/87/74/53/348877453.db2.gz AZDJGWLQRLNTSP-MRXNPFEDSA-N 0 3 297.402 2.634 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(c3cccnc3)CC2)C1 ZINC000590168670 348881928 /nfs/dbraw/zinc/88/19/28/348881928.db2.gz PHJZVZNRRIUWHS-BBRMVZONSA-N 0 3 255.365 2.953 20 30 CFEDHN COCCN(Cc1ccc(C)o1)C[C@@H](C)CCC#N ZINC000590594626 348912436 /nfs/dbraw/zinc/91/24/36/348912436.db2.gz UHFIPHXLNXKRFR-ZDUSSCGKSA-N 0 3 264.369 2.976 20 30 CFEDHN N#Cc1cc(CN2CCSC3(CCC3)CC2)ccn1 ZINC000591041751 348982176 /nfs/dbraw/zinc/98/21/76/348982176.db2.gz CMPTXJPLIAJGMP-UHFFFAOYSA-N 0 3 273.405 2.815 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCCc2c(Cl)cccc21 ZINC000273485454 192169478 /nfs/dbraw/zinc/16/94/78/192169478.db2.gz NBYIORJOLYSIMJ-CQSZACIVSA-N 0 3 278.783 2.609 20 30 CFEDHN CCOc1ccc(C[C@H](C)CNC(=O)C(C)C#N)cc1 ZINC000590891681 348963152 /nfs/dbraw/zinc/96/31/52/348963152.db2.gz IDXNJZPFFJJJTN-STQMWFEESA-N 0 3 274.364 2.540 20 30 CFEDHN C[C@@]1(C#N)CCCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000590956118 348971083 /nfs/dbraw/zinc/97/10/83/348971083.db2.gz XMCSAAXVGWARNL-MSOLQXFVSA-N 0 3 283.419 2.887 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CC2CCCC2)c(F)c1 ZINC000591733981 349041236 /nfs/dbraw/zinc/04/12/36/349041236.db2.gz RYSYXSPTIXVMOS-HNNXBMFYSA-N 0 3 276.355 2.728 20 30 CFEDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)CC1(C#N)CC1 ZINC000591860361 349051850 /nfs/dbraw/zinc/05/18/50/349051850.db2.gz LQBOHBUFFAMZBD-OAHLLOKOSA-N 0 3 297.402 2.590 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H]2COC[C@H]2C1 ZINC000668704147 539705181 /nfs/dbraw/zinc/70/51/81/539705181.db2.gz CAFHBUVAUYUMDW-JKSUJKDBSA-N 0 3 273.376 2.720 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(C)sc2C)CC1 ZINC000592070341 349078245 /nfs/dbraw/zinc/07/82/45/349078245.db2.gz NUBSCGGYJIKWNZ-UHFFFAOYSA-N 0 3 278.421 2.745 20 30 CFEDHN CC1(C)CN(Cc2ccncc2C#N)[C@H]2CCC[C@@H]21 ZINC000592123149 349086615 /nfs/dbraw/zinc/08/66/15/349086615.db2.gz XRCBCAJJVMRJSF-GJZGRUSLSA-N 0 3 255.365 2.964 20 30 CFEDHN N#Cc1cnccc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000592124358 349086648 /nfs/dbraw/zinc/08/66/48/349086648.db2.gz DKWCLBHIAQAPDZ-SJORKVTESA-N 0 3 297.402 2.734 20 30 CFEDHN CC(C)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592147730 349091042 /nfs/dbraw/zinc/09/10/42/349091042.db2.gz NXPCFGKNPOJGKG-MRXNPFEDSA-N 0 3 258.365 2.660 20 30 CFEDHN N#CC[C@@]1(O)CCN(Cc2ccc3ccccc3c2)C1 ZINC000592148086 349091416 /nfs/dbraw/zinc/09/14/16/349091416.db2.gz QTFKSXYWDDMFGW-QGZVFWFLSA-N 0 3 266.344 2.690 20 30 CFEDHN C[C@H]1CN(CCCSCC#N)CC2(CCCC2)O1 ZINC000592195076 349097955 /nfs/dbraw/zinc/09/79/55/349097955.db2.gz QIBBAJHNQCEZDD-ZDUSSCGKSA-N 0 3 268.426 2.667 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000592198712 349097970 /nfs/dbraw/zinc/09/79/70/349097970.db2.gz QDYJWTAGFIUMHB-WBVHZDCISA-N 0 3 291.439 2.695 20 30 CFEDHN CCN(CCSC)Cc1ccc(OC)c(C#N)c1 ZINC000592200616 349098922 /nfs/dbraw/zinc/09/89/22/349098922.db2.gz AVCMSWDPVHBYCA-UHFFFAOYSA-N 0 3 264.394 2.752 20 30 CFEDHN Cc1cccc2c1ncc(C)c2N1CC[C@@](O)(CC#N)C1 ZINC000591974125 349067566 /nfs/dbraw/zinc/06/75/66/349067566.db2.gz IMIFXRPRKUOTOY-KRWDZBQOSA-N 0 3 281.359 2.707 20 30 CFEDHN CCc1ccc2nccc(N3CC[C@](O)(CC#N)C3)c2c1 ZINC000591975917 349068403 /nfs/dbraw/zinc/06/84/03/349068403.db2.gz UYYUXQMBGSHQCM-QGZVFWFLSA-N 0 3 281.359 2.652 20 30 CFEDHN N#Cc1csc(CNCC2CCC(F)CC2)n1 ZINC000592377130 349112029 /nfs/dbraw/zinc/11/20/29/349112029.db2.gz KITXVAXABKYRQS-UHFFFAOYSA-N 0 3 253.346 2.633 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000592380559 349112630 /nfs/dbraw/zinc/11/26/30/349112630.db2.gz WQFWPBTZNDBXCR-NEPJUHHUSA-N 0 3 290.363 2.751 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1cc(CC)ncn1)C(C)C ZINC000592455191 349122303 /nfs/dbraw/zinc/12/23/03/349122303.db2.gz KUZLOEPPYGJYHX-INIZCTEOSA-N 0 3 288.439 2.571 20 30 CFEDHN CCCC[C@@H](C)N(C)Cc1cnc2c(C#N)cnn2c1 ZINC000592513950 349129744 /nfs/dbraw/zinc/12/97/44/349129744.db2.gz ZSPVRSVXKKAKCI-GFCCVEGCSA-N 0 3 271.368 2.611 20 30 CFEDHN CCCN(Cc1cc(C#N)cs1)[C@H]1CCN(C)C1 ZINC000592521210 349132923 /nfs/dbraw/zinc/13/29/23/349132923.db2.gz WRMHZYSCHHRAJW-ZDUSSCGKSA-N 0 3 263.410 2.536 20 30 CFEDHN CCCCN(C(=O)C(C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592901646 349176912 /nfs/dbraw/zinc/17/69/12/349176912.db2.gz MPKJUVKXYNRQCS-RYUDHWBXSA-N 0 3 291.420 2.789 20 30 CFEDHN CN(CCN1CCCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000593135541 349218168 /nfs/dbraw/zinc/21/81/68/349218168.db2.gz MCJGSVQFVKZWCA-UHFFFAOYSA-N 0 3 286.379 2.508 20 30 CFEDHN CCN(CCC#N)C(=O)CNC1(c2ccccc2C)CCC1 ZINC000593041310 349192640 /nfs/dbraw/zinc/19/26/40/349192640.db2.gz ZVOSPIQVRZMQMO-UHFFFAOYSA-N 0 3 299.418 2.726 20 30 CFEDHN Cc1cc(CN2CCC(C3(O)CC3)CC2)ccc1C#N ZINC000593048672 349194436 /nfs/dbraw/zinc/19/44/36/349194436.db2.gz FJAZHMKSMPIMRI-UHFFFAOYSA-N 0 3 270.376 2.604 20 30 CFEDHN COc1cc(C#N)ccc1CNC1(C2CCC2)CC1 ZINC000593078956 349202864 /nfs/dbraw/zinc/20/28/64/349202864.db2.gz AIONUENRPRIFNN-UHFFFAOYSA-N 0 3 256.349 2.989 20 30 CFEDHN C[C@@H](CO)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000593084546 349205011 /nfs/dbraw/zinc/20/50/11/349205011.db2.gz ROFVERFJOVSJHA-KBPBESRZSA-N 0 3 272.392 2.960 20 30 CFEDHN CC[C@@H](C#N)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000593559725 349292878 /nfs/dbraw/zinc/29/28/78/349292878.db2.gz BSAZKQVFHVCRFQ-ZDUSSCGKSA-N 0 3 259.353 2.545 20 30 CFEDHN CCC(C#N)C(=O)N=c1[nH]n(C2CCCCC2)cc1C ZINC000593595082 349296728 /nfs/dbraw/zinc/29/67/28/349296728.db2.gz BGECJQALQGAXQG-LBPRGKRZSA-N 0 3 274.368 2.607 20 30 CFEDHN Cc1nn(-c2cccc(C)c2)cc1CNCCCC#N ZINC000593615375 349299041 /nfs/dbraw/zinc/29/90/41/349299041.db2.gz OTYQNISTFUBEET-UHFFFAOYSA-N 0 3 268.364 2.883 20 30 CFEDHN CC[C@@H](C#N)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000593469870 349277334 /nfs/dbraw/zinc/27/73/34/349277334.db2.gz IJMIIBTYYAMMJK-LBPRGKRZSA-N 0 3 259.353 2.545 20 30 CFEDHN COc1ccc(C[C@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000593829591 349330080 /nfs/dbraw/zinc/33/00/80/349330080.db2.gz UJCSRSIXACIVNI-UKRRQHHQSA-N 0 3 286.375 2.778 20 30 CFEDHN CC(C)OC(=O)CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032194 349357531 /nfs/dbraw/zinc/35/75/31/349357531.db2.gz RSMQRCVXTADLPF-UHFFFAOYSA-N 0 3 286.375 2.869 20 30 CFEDHN CO[C@H]1C[C@H]2C[C@@H](NCC3(C#N)CCCC3)C[C@H]2C1 ZINC000593653341 349305245 /nfs/dbraw/zinc/30/52/45/349305245.db2.gz DJHKWPBYBVADNN-NMWPEEMBSA-N 0 3 262.397 2.864 20 30 CFEDHN COc1cc(CN2CC[C@]3(CC3(F)F)C2)ccc1C#N ZINC000593697579 349312474 /nfs/dbraw/zinc/31/24/74/349312474.db2.gz MMEBKLILVMUMMP-AWEZNQCLSA-N 0 3 278.302 2.798 20 30 CFEDHN CCC(C#N)C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593744695 349319163 /nfs/dbraw/zinc/31/91/63/349319163.db2.gz JDAPAZCRYHJKTM-QWHCGFSZSA-N 0 3 296.411 2.656 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594195992 349392988 /nfs/dbraw/zinc/39/29/88/349392988.db2.gz JXAAOZMKPNQSHE-IAGOWNOFSA-N 0 3 297.402 2.613 20 30 CFEDHN C=C(C)CN(CC)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000594317136 349406678 /nfs/dbraw/zinc/40/66/78/349406678.db2.gz LUVVLLYGSLJAST-GASCZTMLSA-N 0 3 281.444 2.857 20 30 CFEDHN C[C@H]1C[C@@H](NC(=O)CCCCC#N)CN1Cc1ccccc1 ZINC000594317706 349406838 /nfs/dbraw/zinc/40/68/38/349406838.db2.gz FFFLGBKDTGXTLI-DOTOQJQBSA-N 0 3 299.418 2.850 20 30 CFEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000594059400 349367348 /nfs/dbraw/zinc/36/73/48/349367348.db2.gz QZIOETNGPKWKMJ-HZPDHXFCSA-N 0 3 298.390 2.697 20 30 CFEDHN CC[C@@H](C#N)N(C)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594094460 349375556 /nfs/dbraw/zinc/37/55/56/349375556.db2.gz KLSSUBUMXRCFFU-IRXDYDNUSA-N 0 3 299.418 2.659 20 30 CFEDHN CC[C@@H](C#N)N(C)C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594094461 349375754 /nfs/dbraw/zinc/37/57/54/349375754.db2.gz KLSSUBUMXRCFFU-SJORKVTESA-N 0 3 299.418 2.659 20 30 CFEDHN CC[C@@H](C#N)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000594095487 349376304 /nfs/dbraw/zinc/37/63/04/349376304.db2.gz WTVITGNXEBFXMW-KRWDZBQOSA-N 0 3 299.418 2.659 20 30 CFEDHN Cc1cc(NC(=O)[C@H](N)CCCCC#N)c(C)c(C)c1O ZINC000594436905 349422589 /nfs/dbraw/zinc/42/25/89/349422589.db2.gz KQDOURKBMPHHLX-CYBMUJFWSA-N 0 3 289.379 2.667 20 30 CFEDHN CCCC[C@@H](NC(=O)[C@H](N)CCCCC#N)C1CCC1 ZINC000594444437 349423659 /nfs/dbraw/zinc/42/36/59/349423659.db2.gz LYEAJIKCSLSTND-HUUCEWRRSA-N 0 3 279.428 2.873 20 30 CFEDHN CC(C)CC[C@@H]1CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594443572 349423666 /nfs/dbraw/zinc/42/36/66/349423666.db2.gz RPPXXWBHIOTDEB-LSDHHAIUSA-N 0 3 279.428 2.825 20 30 CFEDHN Cc1ccc(C[C@H](C)NC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594445019 349423974 /nfs/dbraw/zinc/42/39/74/349423974.db2.gz NUNJIADPBPJJFO-FZMZJTMJSA-N 0 3 293.436 2.515 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594447098 349424566 /nfs/dbraw/zinc/42/45/66/349424566.db2.gz SYIIUDDEDYCTAM-KKUMJFAQSA-N 0 3 279.428 2.825 20 30 CFEDHN CC(C)[C@H]1CCCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594447852 349424644 /nfs/dbraw/zinc/42/46/44/349424644.db2.gz VXVNHVFPOTWYRD-LSDHHAIUSA-N 0 3 279.428 2.682 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000594450205 349425721 /nfs/dbraw/zinc/42/57/21/349425721.db2.gz UHUNAZODHKKAGT-HUUCEWRRSA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@@H](CCNC(=O)[C@@H](N)CCCCC#N)CC(C)(C)C ZINC000594456608 349426510 /nfs/dbraw/zinc/42/65/10/349426510.db2.gz RXQDWFYQFQPYNG-KBPBESRZSA-N 0 3 281.444 2.976 20 30 CFEDHN C[C@@H](CN1CCCC1=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594494761 349429017 /nfs/dbraw/zinc/42/90/17/349429017.db2.gz FRGJGTRCQAEMAA-AWEZNQCLSA-N 0 3 299.418 2.588 20 30 CFEDHN C[C@@H](CCNCc1ccc(C(C)(C)C#N)cc1)[S@](C)=O ZINC000594497919 349431341 /nfs/dbraw/zinc/43/13/41/349431341.db2.gz LJAUPFYYSVEMCX-RBZFPXEDSA-N 0 3 292.448 2.734 20 30 CFEDHN CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCO1 ZINC000596982789 350011224 /nfs/dbraw/zinc/01/12/24/350011224.db2.gz JKWZICJTCUTXJT-MRXNPFEDSA-N 0 3 270.376 2.853 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CN1C ZINC000597090003 350029051 /nfs/dbraw/zinc/02/90/51/350029051.db2.gz ZNBQIJGXKBHPKM-CABCVRRESA-N 0 3 283.419 2.766 20 30 CFEDHN C[C@H](C(=O)N1Cc2ccc(C#N)cc2C1)N1[C@H](C)CC[C@@H]1C ZINC000594406843 349415408 /nfs/dbraw/zinc/41/54/08/349415408.db2.gz NQSUQINFDJSUQJ-HZSPNIEDSA-N 0 3 297.402 2.662 20 30 CFEDHN CC[C@@H](C)N[C@H](CNC(=O)CCCCC#N)c1ccco1 ZINC000594421138 349416361 /nfs/dbraw/zinc/41/63/61/349416361.db2.gz PSAOLPXFOYMMOL-ZIAGYGMSSA-N 0 3 291.395 2.909 20 30 CFEDHN Cc1cccc(C)c1NC(=O)[C@H](N)CCCCC#N ZINC000594424602 349416642 /nfs/dbraw/zinc/41/66/42/349416642.db2.gz GVOSUYODQBFWAY-CYBMUJFWSA-N 0 3 259.353 2.653 20 30 CFEDHN CCc1ccc(CN(C)C(=O)[C@H](N)CCCCC#N)cc1 ZINC000594425335 349416701 /nfs/dbraw/zinc/41/67/01/349416701.db2.gz HUOMDRMEMJMDKG-MRXNPFEDSA-N 0 3 287.407 2.619 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(C)cc1 ZINC000594425148 349416985 /nfs/dbraw/zinc/41/69/85/349416985.db2.gz GBHAOADSTIHQOA-HOTGVXAUSA-N 0 3 287.407 2.974 20 30 CFEDHN COc1c(Cl)cccc1NC(=O)[C@H](N)CCCCC#N ZINC000594425879 349417603 /nfs/dbraw/zinc/41/76/03/349417603.db2.gz BJGOSLZQJQYHDW-LLVKDONJSA-N 0 3 295.770 2.698 20 30 CFEDHN CN(Cc1cccc(Cl)c1)C(=O)[C@H](N)CCCCC#N ZINC000594428550 349418524 /nfs/dbraw/zinc/41/85/24/349418524.db2.gz ZGZALJMFFXLKQJ-CQSZACIVSA-N 0 3 293.798 2.710 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000594427821 349418693 /nfs/dbraw/zinc/41/86/93/349418693.db2.gz JSTIGGUTGHXNKP-GFCCVEGCSA-N 0 3 283.734 2.829 20 30 CFEDHN Cc1ccc([C@H](NC(=O)[C@H](N)CCCCC#N)C2CC2)cc1 ZINC000594429470 349419939 /nfs/dbraw/zinc/41/99/39/349419939.db2.gz PYWUCISOOLKXIP-SJORKVTESA-N 0 3 299.418 2.974 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000594428759 349420045 /nfs/dbraw/zinc/42/00/45/349420045.db2.gz NYERUFNLXKCZCZ-HZPDHXFCSA-N 0 3 291.439 2.969 20 30 CFEDHN CCC1CCC(N(C)C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594429421 349420168 /nfs/dbraw/zinc/42/01/68/349420168.db2.gz TYELVFTXVXTKJH-YMAMQOFZSA-N 0 3 279.428 2.825 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594431864 349420602 /nfs/dbraw/zinc/42/06/02/349420602.db2.gz RKJARJCFBTZLSB-HNNXBMFYSA-N 0 3 287.363 2.601 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](N)CCCCC#N ZINC000594433378 349420952 /nfs/dbraw/zinc/42/09/52/349420952.db2.gz OSSAAQSQFWNJHE-RBSFLKMASA-N 0 3 279.428 2.825 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)[C@@H](N)CCCCC#N ZINC000594430934 349420987 /nfs/dbraw/zinc/42/09/87/349420987.db2.gz DHVPAZJTRTUOIG-KRWDZBQOSA-N 0 3 299.418 2.655 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594433380 349421012 /nfs/dbraw/zinc/42/10/12/349421012.db2.gz OSSAAQSQFWNJHE-SOUVJXGZSA-N 0 3 279.428 2.825 20 30 CFEDHN CC[C@H](C)[C@H](C)N(C(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594434657 349421421 /nfs/dbraw/zinc/42/14/21/349421421.db2.gz QUUREHWDBXOTFC-KCQAQPDRSA-N 0 3 279.428 2.823 20 30 CFEDHN C[C@H](CC#N)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000597256806 350074192 /nfs/dbraw/zinc/07/41/92/350074192.db2.gz HEYPPTOVGWSBSB-HUUCEWRRSA-N 0 3 299.418 2.878 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)o1 ZINC000597225073 350063075 /nfs/dbraw/zinc/06/30/75/350063075.db2.gz NAVRECNMLFPHOF-CJNGLKHVSA-N 0 3 274.364 2.932 20 30 CFEDHN N#CCCCOc1cccc(CN2CCC3(COC3)C2)c1 ZINC000597228562 350063698 /nfs/dbraw/zinc/06/36/98/350063698.db2.gz CYDMZZBLRBRDLT-UHFFFAOYSA-N 0 3 286.375 2.591 20 30 CFEDHN C[C@@H](CC#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000597530010 350108787 /nfs/dbraw/zinc/10/87/87/350108787.db2.gz AIAKCKSHTUAPSH-WMLDXEAASA-N 0 3 299.418 2.563 20 30 CFEDHN CC[C@H]1CN(C)CCCN1C(=O)CC1(C#N)CCCCC1 ZINC000597604496 350115354 /nfs/dbraw/zinc/11/53/54/350115354.db2.gz JDIBXKMTJJNWBS-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN CC(C#N)C(=O)NC1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000597764865 350133620 /nfs/dbraw/zinc/13/36/20/350133620.db2.gz ZOEGIZSZAMDURK-GFCCVEGCSA-N 0 3 294.395 2.697 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000597828014 350140917 /nfs/dbraw/zinc/14/09/17/350140917.db2.gz HVKXDMACMKVWFP-BBWFWOEESA-N 0 3 293.370 2.642 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CCC(N)=O)CC1 ZINC000271268205 191039436 /nfs/dbraw/zinc/03/94/36/191039436.db2.gz WNPVVUYUHKJTFE-ZDUSSCGKSA-N 0 3 285.391 2.597 20 30 CFEDHN C=CCCSCCNC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000597973072 350167248 /nfs/dbraw/zinc/16/72/48/350167248.db2.gz RAFVJAOGIQOAKM-HZSPNIEDSA-N 0 3 284.469 2.673 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000271332843 191078578 /nfs/dbraw/zinc/07/85/78/191078578.db2.gz AWEQIQGOZMNABL-UHFFFAOYSA-N 0 3 262.328 2.805 20 30 CFEDHN CC(C#N)C(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC000598577896 350284642 /nfs/dbraw/zinc/28/46/42/350284642.db2.gz NDCABVJRPINRCU-WBMJQRKESA-N 0 3 256.349 2.630 20 30 CFEDHN COCC#CCN1CCC(Cc2ccccc2F)CC1 ZINC000677817462 539790122 /nfs/dbraw/zinc/79/01/22/539790122.db2.gz MJJVFWGLPZWVJC-UHFFFAOYSA-N 0 3 275.367 2.730 20 30 CFEDHN COCC#CCN(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000677818250 539791463 /nfs/dbraw/zinc/79/14/63/539791463.db2.gz HXTGIRYNAAUMFW-QGZVFWFLSA-N 0 3 273.376 2.654 20 30 CFEDHN Cc1ccc2c(c1Br)CN(C(=O)C(C)C#N)C2 ZINC000598470865 350273867 /nfs/dbraw/zinc/27/38/67/350273867.db2.gz ZTDHHSIWVFMGAI-SECBINFHSA-N 0 3 293.164 2.759 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@H](CO)C1 ZINC000598647934 350301336 /nfs/dbraw/zinc/30/13/36/350301336.db2.gz QEYMJBRZIIKQML-WWGRRREGSA-N 0 3 258.365 2.570 20 30 CFEDHN CCCOc1ccc(CNC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598700127 350312778 /nfs/dbraw/zinc/31/27/78/350312778.db2.gz LDSMIPDQIVFKHT-HNNXBMFYSA-N 0 3 290.407 2.866 20 30 CFEDHN CSc1ccc(F)cc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598717957 350316522 /nfs/dbraw/zinc/31/65/22/350316522.db2.gz AEJHJAIYXYYROC-ZDUSSCGKSA-N 0 3 296.411 2.938 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(F)c(Cl)c1 ZINC000598718452 350317237 /nfs/dbraw/zinc/31/72/37/350317237.db2.gz BKKOVAMYQQNRMO-NSHDSACASA-N 0 3 284.762 2.869 20 30 CFEDHN Cc1ccc2c(c1C)OC[C@H]2NC[C@@H](O)CC(C)(C)C#N ZINC000598721063 350317841 /nfs/dbraw/zinc/31/78/41/350317841.db2.gz RJHWHNOCJJLEJB-DZGCQCFKSA-N 0 3 288.391 2.627 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCc2ccc(F)cc21 ZINC000598721936 350318492 /nfs/dbraw/zinc/31/84/92/350318492.db2.gz YCJOAQAZQLYILR-UKRRQHHQSA-N 0 3 276.355 2.703 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1COc2c1cccc2Cl ZINC000598722210 350319003 /nfs/dbraw/zinc/31/90/03/350319003.db2.gz ATJIACZJLGIOMR-ZWNOBZJWSA-N 0 3 294.782 2.664 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(Cl)cc1F ZINC000598723359 350319518 /nfs/dbraw/zinc/31/95/18/350319518.db2.gz GXJHYRSWXJSUAM-LBPRGKRZSA-N 0 3 284.762 2.869 20 30 CFEDHN CCc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598587208 350286475 /nfs/dbraw/zinc/28/64/75/350286475.db2.gz PFUAWIFENFGEDI-MRXNPFEDSA-N 0 3 274.408 2.982 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC(c2nccs2)CC1 ZINC000598591656 350288485 /nfs/dbraw/zinc/28/84/85/350288485.db2.gz XTPUHDNWDBHZSJ-ZDUSSCGKSA-N 0 3 293.436 2.623 20 30 CFEDHN Cn1cccc1[C@H]1CCCCN1C[C@H](O)CC(C)(C)C#N ZINC000598595080 350289050 /nfs/dbraw/zinc/28/90/50/350289050.db2.gz NGWWVQDTUIHLAS-GDBMZVCRSA-N 0 3 289.423 2.853 20 30 CFEDHN CC[C@](C)(NC[C@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598596826 350289857 /nfs/dbraw/zinc/28/98/57/350289857.db2.gz APVPZUZIOUDODN-DOMZBBRYSA-N 0 3 295.452 2.967 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(F)cc1F ZINC000598601149 350291104 /nfs/dbraw/zinc/29/11/04/350291104.db2.gz QTFRGIFPNLFAQG-JQWIXIFHSA-N 0 3 282.334 2.916 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(C#N)c1 ZINC000598602918 350292218 /nfs/dbraw/zinc/29/22/18/350292218.db2.gz QUKGHQUSAGKZLR-WFASDCNBSA-N 0 3 271.364 2.510 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000598607876 350293040 /nfs/dbraw/zinc/29/30/40/350293040.db2.gz DCTRAJCEJHXXGW-QWRGUYRKSA-N 0 3 278.318 2.561 20 30 CFEDHN CCOC(=O)c1[nH]c(C)c(CN[C@@H]2CC[C@H](C#N)C2)c1C ZINC000598982962 350353966 /nfs/dbraw/zinc/35/39/66/350353966.db2.gz VJDVPHGCJRGKJA-QWHCGFSZSA-N 0 3 289.379 2.590 20 30 CFEDHN CC(C)CC[C@H](CO)NCc1ccc(C#N)cc1F ZINC000598991599 350355426 /nfs/dbraw/zinc/35/54/26/350355426.db2.gz OSTBWOSNPJIWPK-CQSZACIVSA-N 0 3 264.344 2.584 20 30 CFEDHN COCC#CCN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000677819929 539794068 /nfs/dbraw/zinc/79/40/68/539794068.db2.gz DGYOXADHTNJLQZ-NVXWUHKLSA-N 0 3 257.377 2.762 20 30 CFEDHN N#CC1(c2ccc(CN[C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000599010123 350358393 /nfs/dbraw/zinc/35/83/93/350358393.db2.gz PSYAUPGOEOELEN-IAGOWNOFSA-N 0 3 282.387 2.899 20 30 CFEDHN CC(C)(C#N)c1ccc(CNCc2ccc[nH]c2=O)cc1 ZINC000599006389 350358406 /nfs/dbraw/zinc/35/84/06/350358406.db2.gz KDHMFFNLHGQXSB-UHFFFAOYSA-N 0 3 281.359 2.878 20 30 CFEDHN C[C@H](CC#N)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000598806607 350331215 /nfs/dbraw/zinc/33/12/15/350331215.db2.gz CBJGUQISZZQKMH-CQSZACIVSA-N 0 3 285.391 2.664 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000599065225 350369286 /nfs/dbraw/zinc/36/92/86/350369286.db2.gz JBKDGJVCTAQWAI-KBPBESRZSA-N 0 3 279.428 2.695 20 30 CFEDHN CCC(C#N)(CC)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000599142766 350383827 /nfs/dbraw/zinc/38/38/27/350383827.db2.gz UQVUBJJKPQQCIB-YHWZYXNKSA-N 0 3 288.395 2.991 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000599147417 350384843 /nfs/dbraw/zinc/38/48/43/350384843.db2.gz OCAUFNSVBDZVBV-ZIAGYGMSSA-N 0 3 279.428 2.553 20 30 CFEDHN N#Cc1cnc(NC[C@H]2CCN2C2CCCC2)c(F)c1 ZINC000599163569 350387573 /nfs/dbraw/zinc/38/75/73/350387573.db2.gz DQZJKEYBFANAMX-CYBMUJFWSA-N 0 3 274.343 2.521 20 30 CFEDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599418611 350433729 /nfs/dbraw/zinc/43/37/29/350433729.db2.gz BKQPQDMTZYCGKC-INIZCTEOSA-N 0 3 299.418 2.605 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(C)c(C#N)c1 ZINC000599432911 350436529 /nfs/dbraw/zinc/43/65/29/350436529.db2.gz IIWKCBYFBFZXER-QGZVFWFLSA-N 0 3 271.408 2.783 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C)c(C#N)c1 ZINC000599432910 350436711 /nfs/dbraw/zinc/43/67/11/350436711.db2.gz IIWKCBYFBFZXER-KRWDZBQOSA-N 0 3 271.408 2.783 20 30 CFEDHN COC[C@@]1(C)CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599432614 350436830 /nfs/dbraw/zinc/43/68/30/350436830.db2.gz WOGRJADUKAMFBI-INIZCTEOSA-N 0 3 258.365 2.725 20 30 CFEDHN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000599344899 350419333 /nfs/dbraw/zinc/41/93/33/350419333.db2.gz KDAJYMVRYVANMX-ZYHUDNBSSA-N 0 3 280.318 2.670 20 30 CFEDHN Cc1ccc(CN2CCN(C)[C@@H](C(C)C)C2)cc1C#N ZINC000599384259 350428270 /nfs/dbraw/zinc/42/82/70/350428270.db2.gz KATREIZLBQAHQN-QGZVFWFLSA-N 0 3 271.408 2.639 20 30 CFEDHN Cc1ccc(CN2CCC23CCOCC3)cc1C#N ZINC000599386493 350428841 /nfs/dbraw/zinc/42/88/41/350428841.db2.gz WAZHUNWHEPMLQN-UHFFFAOYSA-N 0 3 256.349 2.622 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)C(C#N)(CC)CC ZINC000599493369 350444152 /nfs/dbraw/zinc/44/41/52/350444152.db2.gz NWSBIFAGFNZKCU-CQSZACIVSA-N 0 3 279.428 2.697 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000599525847 350450600 /nfs/dbraw/zinc/45/06/00/350450600.db2.gz AGBDONVYEPVBBE-CYBMUJFWSA-N 0 3 256.349 2.965 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000599530395 350451298 /nfs/dbraw/zinc/45/12/98/350451298.db2.gz WDJCOUONDPVWFR-LBPRGKRZSA-N 0 3 271.320 2.864 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)CC1(C)COC1 ZINC000599571700 350459048 /nfs/dbraw/zinc/45/90/48/350459048.db2.gz QZVBVQOVYYESOS-UHFFFAOYSA-N 0 3 296.317 2.628 20 30 CFEDHN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000599649226 350473477 /nfs/dbraw/zinc/47/34/77/350473477.db2.gz CBOYZWIBEFAPJZ-ZACQAIPSSA-N 0 3 298.386 2.722 20 30 CFEDHN C=C(C)CCN1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599664498 350475891 /nfs/dbraw/zinc/47/58/91/350475891.db2.gz CJMAVEKSOQRMRZ-HNNXBMFYSA-N 0 3 259.349 2.725 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CC2)CC1 ZINC000599673330 350478974 /nfs/dbraw/zinc/47/89/74/350478974.db2.gz OSBXULMGJJPUHL-HOCLYGCPSA-N 0 3 291.439 2.695 20 30 CFEDHN N#CCc1cccc2c1CCN(C[C@H]1CCCCO1)C2 ZINC000599676475 350480086 /nfs/dbraw/zinc/48/00/86/350480086.db2.gz SECDOQHKODKBGH-MRXNPFEDSA-N 0 3 270.376 2.680 20 30 CFEDHN CCOC1CC(CN2CCc3c(CC#N)cccc3C2)C1 ZINC000599679417 350481281 /nfs/dbraw/zinc/48/12/81/350481281.db2.gz ZUSHKLGTGPMCLH-UHFFFAOYSA-N 0 3 284.403 2.926 20 30 CFEDHN C/C=C\C[C@@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000599691174 350484228 /nfs/dbraw/zinc/48/42/28/350484228.db2.gz QXIKDJMIUSXTRD-ANIZGFEYSA-N 0 3 291.439 2.673 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000599978431 350502103 /nfs/dbraw/zinc/50/21/03/350502103.db2.gz NKIDEIBFCNXWGY-HNNXBMFYSA-N 0 3 293.455 2.943 20 30 CFEDHN C=CC(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000600170056 350529357 /nfs/dbraw/zinc/52/93/57/350529357.db2.gz JCHLJFGLIDIESE-MRXNPFEDSA-N 0 3 295.386 2.959 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cccc(C(=O)OCC)n2)C1 ZINC000600187397 350535278 /nfs/dbraw/zinc/53/52/78/350535278.db2.gz XZMORJZPUAKWDQ-ZDUSSCGKSA-N 0 3 274.364 2.656 20 30 CFEDHN C=CCCN(C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600151394 350522303 /nfs/dbraw/zinc/52/23/03/350522303.db2.gz KICLQHKKHFBYGX-UHFFFAOYSA-N 0 3 264.369 2.816 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3ccc(O)cc3)C2)o1 ZINC000600213484 350541405 /nfs/dbraw/zinc/54/14/05/350541405.db2.gz HESHWJHVKSKMFY-ZDUSSCGKSA-N 0 3 268.316 2.846 20 30 CFEDHN CC(F)(F)c1ccc(CNC[C@H](O)CC2(C#N)CC2)cc1 ZINC000600740975 350605250 /nfs/dbraw/zinc/60/52/50/350605250.db2.gz YHDAYPLCFHAJCR-CQSZACIVSA-N 0 3 294.345 2.943 20 30 CFEDHN N#Cc1ccc(-c2ccc(N3CCNCC3)cc2)s1 ZINC000600773650 350608663 /nfs/dbraw/zinc/60/86/63/350608663.db2.gz BRQRMSPBOHUXHH-UHFFFAOYSA-N 0 3 269.373 2.696 20 30 CFEDHN COc1ccc(-c2ccc([C@@H]3CNCCO3)cc2)c(C#N)c1 ZINC000600789489 350612240 /nfs/dbraw/zinc/61/22/40/350612240.db2.gz FJWIHHPBUQODBL-SFHVURJKSA-N 0 3 294.354 2.895 20 30 CFEDHN C[C@H](CNC(=O)c1ccccc1CC#N)N1CCC[C@@H](C)C1 ZINC000600998276 350643413 /nfs/dbraw/zinc/64/34/13/350643413.db2.gz UICYGVRXOOHENG-HUUCEWRRSA-N 0 3 299.418 2.603 20 30 CFEDHN C[C@H](CNC(=O)c1ccccc1CC#N)N1CCCC[C@H]1C ZINC000600997316 350643589 /nfs/dbraw/zinc/64/35/89/350643589.db2.gz WKKSPHRXVGCJIV-HUUCEWRRSA-N 0 3 299.418 2.745 20 30 CFEDHN Cc1ccc(COc2ccc3c(c2)OCCNC3)cc1C#N ZINC000600948541 350635195 /nfs/dbraw/zinc/63/51/95/350635195.db2.gz KUKSUGAWXRQEEH-UHFFFAOYSA-N 0 3 294.354 2.928 20 30 CFEDHN N#Cc1ccc(CNCC2([C@@H]3CCCCO3)CCC2)o1 ZINC000601156014 350683857 /nfs/dbraw/zinc/68/38/57/350683857.db2.gz PUKWZFZXKQZZOZ-HNNXBMFYSA-N 0 3 274.364 2.980 20 30 CFEDHN CN(C[C@@H]1CCCN1C)c1ncc(C#N)c2ccsc21 ZINC000601175900 350689513 /nfs/dbraw/zinc/68/95/13/350689513.db2.gz RKEMBCNFKLPVLL-LBPRGKRZSA-N 0 3 286.404 2.698 20 30 CFEDHN N#Cc1cc(F)ccc1NCCN1CCCCCC1 ZINC000111026694 186345949 /nfs/dbraw/zinc/34/59/49/186345949.db2.gz ZEQJLLVVWHIQQC-UHFFFAOYSA-N 0 3 261.344 2.985 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccccc1CC#N ZINC000601670635 350756616 /nfs/dbraw/zinc/75/66/16/350756616.db2.gz GNOVSFMJQPYBSQ-HNNXBMFYSA-N 0 3 299.418 2.603 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC000601284284 350717088 /nfs/dbraw/zinc/71/70/88/350717088.db2.gz DLMYYEKEAKBIJL-MIGQKNRLSA-N 0 3 256.349 2.798 20 30 CFEDHN CCC[C@@H](CCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000601289062 350717968 /nfs/dbraw/zinc/71/79/68/350717968.db2.gz HFIWIKALLXEYOQ-AAEUAGOBSA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCc3ccc(C#N)cc32)[C@@H](C)O1 ZINC000601298441 350719228 /nfs/dbraw/zinc/71/92/28/350719228.db2.gz HXZPNYRVBCRMPO-WVATUKLVSA-N 0 3 256.349 2.701 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)c2ccccc2CC#N)C1 ZINC000601538566 350737956 /nfs/dbraw/zinc/73/79/56/350737956.db2.gz JJQXPHWDJNQFIF-UHFFFAOYSA-N 0 3 299.418 2.604 20 30 CFEDHN CNCc1cccc(NC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000601565299 350740349 /nfs/dbraw/zinc/74/03/49/350740349.db2.gz JJKJJORINMSOOF-UKRRQHHQSA-N 0 3 286.379 2.562 20 30 CFEDHN N#CC1(C[C@H](O)CN2CC(C3CCCCC3)C2)CC1 ZINC000601960823 350819585 /nfs/dbraw/zinc/81/95/85/350819585.db2.gz ZVUHMRDUTZRLBT-HNNXBMFYSA-N 0 3 262.397 2.553 20 30 CFEDHN CC(C)(C#N)CCCN1CCO[C@@H](C(F)F)CC1 ZINC000601973655 350822560 /nfs/dbraw/zinc/82/25/60/350822560.db2.gz IEGAHZSFVWFBIZ-LLVKDONJSA-N 0 3 260.328 2.672 20 30 CFEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000601855107 350792041 /nfs/dbraw/zinc/79/20/41/350792041.db2.gz NGNDLMBUSSCZOL-OAHLLOKOSA-N 0 3 282.343 2.977 20 30 CFEDHN CCOCC(C)(C)CNCc1cccc(F)c1C#N ZINC000602017339 350832957 /nfs/dbraw/zinc/83/29/57/350832957.db2.gz OYQBIGQXYHUGBG-UHFFFAOYSA-N 0 3 264.344 2.850 20 30 CFEDHN CC[C@@H]1C[C@H](NCc2cccc(F)c2C#N)CCO1 ZINC000602021392 350834009 /nfs/dbraw/zinc/83/40/09/350834009.db2.gz TUWKFHNNJDBBEV-CHWSQXEVSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H](CNCc1cccc(F)c1C#N)c1ccccn1 ZINC000602028004 350834924 /nfs/dbraw/zinc/83/49/24/350834924.db2.gz LJWULJPBTBRZNU-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN COC(=O)c1ccc(CN[C@H](C)c2ccc(C#N)cc2)n1C ZINC000601994782 350824980 /nfs/dbraw/zinc/82/49/80/350824980.db2.gz BXXYPNCKTOWLRZ-GFCCVEGCSA-N 0 3 297.358 2.534 20 30 CFEDHN Cc1cc(C)n(CCCNCc2cccc(F)c2C#N)n1 ZINC000601996964 350825771 /nfs/dbraw/zinc/82/57/71/350825771.db2.gz KJSKPCDUTZKDOK-UHFFFAOYSA-N 0 3 286.354 2.691 20 30 CFEDHN C[C@H](CN1CCCCC1)NCc1cccc(F)c1C#N ZINC000602006982 350828693 /nfs/dbraw/zinc/82/86/93/350828693.db2.gz UDABRVPCTIDLHS-CYBMUJFWSA-N 0 3 275.371 2.661 20 30 CFEDHN N#CC1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC1 ZINC000602491453 350904756 /nfs/dbraw/zinc/90/47/56/350904756.db2.gz HESNBYOKLRTSQC-UHFFFAOYSA-N 0 3 297.280 2.796 20 30 CFEDHN Cc1ccc(NCc2cccc(C#N)n2)c(CN(C)C)c1 ZINC000602494702 350905004 /nfs/dbraw/zinc/90/50/04/350905004.db2.gz IKERZVYLRAUBNR-UHFFFAOYSA-N 0 3 280.375 2.935 20 30 CFEDHN CN(CCCNCc1cccc(C#N)n1)c1ccccc1 ZINC000602499830 350906543 /nfs/dbraw/zinc/90/65/43/350906543.db2.gz UEFQZNRUACZDJM-UHFFFAOYSA-N 0 3 280.375 2.569 20 30 CFEDHN CCN(CCNCc1cccc(C#N)n1)c1cccc(C)c1 ZINC000602505049 350908017 /nfs/dbraw/zinc/90/80/17/350908017.db2.gz RQWPDUIFAUGKQL-UHFFFAOYSA-N 0 3 294.402 2.878 20 30 CFEDHN N#Cc1cccc(CNCC2(c3ccccc3)CC2)n1 ZINC000602509747 350909786 /nfs/dbraw/zinc/90/97/86/350909786.db2.gz JZBYNGRXLSCWME-UHFFFAOYSA-N 0 3 263.344 2.775 20 30 CFEDHN N#CC1CCC(NCC(=O)N2CCCc3ccccc32)CC1 ZINC000602528317 350915076 /nfs/dbraw/zinc/91/50/76/350915076.db2.gz OVJHAXDGFAPDIH-UHFFFAOYSA-N 0 3 297.402 2.638 20 30 CFEDHN CC[C@@H](CCc1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000602534241 350917113 /nfs/dbraw/zinc/91/71/13/350917113.db2.gz HSVKWHQZFHUEMG-JKSUJKDBSA-N 0 3 287.407 2.535 20 30 CFEDHN Cc1cccc2nc(CNC3CCC(C#N)CC3)cn21 ZINC000602541089 350918350 /nfs/dbraw/zinc/91/83/50/350918350.db2.gz RZXNAPBELUQHEW-UHFFFAOYSA-N 0 3 268.364 2.815 20 30 CFEDHN CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@@H](N)CCCC#N ZINC000602545745 350919132 /nfs/dbraw/zinc/91/91/32/350919132.db2.gz OWUOSSLWDLTSHD-HOTGVXAUSA-N 0 3 299.418 2.802 20 30 CFEDHN Cc1ncc(CN[C@@H](C)CC2(C#N)CCOCC2)s1 ZINC000602545936 350919241 /nfs/dbraw/zinc/91/92/41/350919241.db2.gz RZNAMMMIARKKQJ-NSHDSACASA-N 0 3 279.409 2.640 20 30 CFEDHN C[C@H](O)C[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602569187 350928537 /nfs/dbraw/zinc/92/85/37/350928537.db2.gz OVBUYPITMKOHGB-HOCLYGCPSA-N 0 3 295.386 2.598 20 30 CFEDHN C[C@@H](NC[C@@H](C)CCC#N)c1cn(-c2ccccc2)nn1 ZINC000602572198 350929466 /nfs/dbraw/zinc/92/94/66/350929466.db2.gz YYFKMNWFWCFGRG-UONOGXRCSA-N 0 3 283.379 2.858 20 30 CFEDHN CC(C)CSCCCNCc1cccc(C#N)n1 ZINC000602575593 350930183 /nfs/dbraw/zinc/93/01/83/350930183.db2.gz FXPHXIPHBGVLOX-UHFFFAOYSA-N 0 3 263.410 2.822 20 30 CFEDHN CC1(NCc2cccc(C#N)n2)Cc2ccccc2C1 ZINC000602582433 350934426 /nfs/dbraw/zinc/93/44/26/350934426.db2.gz PECKZABGAKHKIR-UHFFFAOYSA-N 0 3 263.344 2.600 20 30 CFEDHN C[C@@H](CCC#N)CNCC(=O)Nc1ccc(F)c(F)c1F ZINC000602585266 350935459 /nfs/dbraw/zinc/93/54/59/350935459.db2.gz FSWOOQWDUMNNNF-VIFPVBQESA-N 0 3 299.296 2.572 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@H](N)CCCCC#N ZINC000602586265 350936438 /nfs/dbraw/zinc/93/64/38/350936438.db2.gz OOPXZELOBRLVBF-ZDUSSCGKSA-N 0 3 265.401 2.506 20 30 CFEDHN CC(C)[C@@H](NC[C@H](C)CCC#N)c1nnc2ccccn21 ZINC000602586250 350936741 /nfs/dbraw/zinc/93/67/41/350936741.db2.gz NZZAYDHBUJOVLB-UKRRQHHQSA-N 0 3 285.395 2.956 20 30 CFEDHN CC(C)[C@H](NC[C@@H](C)CCC#N)c1nnc2ccccn21 ZINC000602586251 350936778 /nfs/dbraw/zinc/93/67/78/350936778.db2.gz NZZAYDHBUJOVLB-ZFWWWQNUSA-N 0 3 285.395 2.956 20 30 CFEDHN CCOc1ccc(C#N)cc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000602591803 350937975 /nfs/dbraw/zinc/93/79/75/350937975.db2.gz MXWBJVRTXKBLKV-OCCSQVGLSA-N 0 3 273.380 2.852 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(c2ccc(F)cc2)CC1 ZINC000602429162 350879064 /nfs/dbraw/zinc/87/90/64/350879064.db2.gz MQOOTGCJAVNRIU-CQSZACIVSA-N 0 3 275.371 2.888 20 30 CFEDHN CC[C@@](C)(CN(CCOC)Cc1ccc(C#N)cc1)OC ZINC000602444034 350885972 /nfs/dbraw/zinc/88/59/72/350885972.db2.gz JBOZCCPIQVHHRK-KRWDZBQOSA-N 0 3 290.407 2.822 20 30 CFEDHN COc1ccc2c(c1)CN(C[C@H](C)CCC#N)CC2 ZINC000602456261 350889405 /nfs/dbraw/zinc/88/94/05/350889405.db2.gz WCZCGYSJVIEMCK-CYBMUJFWSA-N 0 3 258.365 2.993 20 30 CFEDHN Cc1cccc(C)c1NC(=O)CNC1CCC(C#N)CC1 ZINC000602593149 350939067 /nfs/dbraw/zinc/93/90/67/350939067.db2.gz LXPAOMICTZEXSE-UHFFFAOYSA-N 0 3 285.391 2.914 20 30 CFEDHN CC[C@@](C)(CN1CCC(C#N)(c2ccccn2)CC1)OC ZINC000602651500 350961564 /nfs/dbraw/zinc/96/15/64/350961564.db2.gz IONYSIFQBFQEKE-INIZCTEOSA-N 0 3 287.407 2.754 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCCC(F)(F)C2)n1 ZINC000602651568 350961650 /nfs/dbraw/zinc/96/16/50/350961650.db2.gz JSGKSRXBJXXIPJ-LLVKDONJSA-N 0 3 265.307 2.868 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CCCC(F)(F)C2)n1 ZINC000602651598 350962140 /nfs/dbraw/zinc/96/21/40/350962140.db2.gz JSGKSRXBJXXIPJ-NSHDSACASA-N 0 3 265.307 2.868 20 30 CFEDHN CC(C)c1ncc(CN(C)C[C@H](C)CCC#N)cn1 ZINC000602658327 350963347 /nfs/dbraw/zinc/96/33/47/350963347.db2.gz UMCNAUHLMJTVFV-CYBMUJFWSA-N 0 3 260.385 2.972 20 30 CFEDHN C[C@H](CCC#N)CN1CCC2(C1)Oc1ccccc1O2 ZINC000602662406 350965338 /nfs/dbraw/zinc/96/53/38/350965338.db2.gz DSTMROPSSQJWHL-CYBMUJFWSA-N 0 3 272.348 2.800 20 30 CFEDHN C[C@H](CCC#N)CN(CCN(C)C)Cc1ccco1 ZINC000602665060 350967229 /nfs/dbraw/zinc/96/72/29/350967229.db2.gz YJYRMPANOLUXPN-CQSZACIVSA-N 0 3 263.385 2.583 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000602667618 350968907 /nfs/dbraw/zinc/96/89/07/350968907.db2.gz QXPJHZAAZWSZBV-MSOLQXFVSA-N 0 3 293.370 2.963 20 30 CFEDHN CC(C)C1(CN2CCN(c3cnccc3C#N)CC2)CC1 ZINC000602672608 350970451 /nfs/dbraw/zinc/97/04/51/350970451.db2.gz MYNJXLPUXWPINH-UHFFFAOYSA-N 0 3 284.407 2.511 20 30 CFEDHN C[C@@H](CCC#N)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000602673732 350972080 /nfs/dbraw/zinc/97/20/80/350972080.db2.gz BRKIXNJLAGAYHG-WCQYABFASA-N 0 3 266.776 2.723 20 30 CFEDHN N#Cc1cccc(CNC2(Cc3ccc(F)cc3)CC2)n1 ZINC000602684378 350977347 /nfs/dbraw/zinc/97/73/47/350977347.db2.gz WYCUAOSECIFKTB-UHFFFAOYSA-N 0 3 281.334 2.957 20 30 CFEDHN N#Cc1cccc(CN2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)n1 ZINC000602684022 350977371 /nfs/dbraw/zinc/97/73/71/350977371.db2.gz DQAHTXZIDVPUIB-SJORKVTESA-N 0 3 297.402 2.734 20 30 CFEDHN CO[C@@H](CN[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000602693786 350982238 /nfs/dbraw/zinc/98/22/38/350982238.db2.gz JCMRVYMXVMHLKN-ARFHVFGLSA-N 0 3 258.365 2.526 20 30 CFEDHN C[C@@H](O)[C@H](NC1CCC(C#N)CC1)c1ccccc1F ZINC000602697810 350984865 /nfs/dbraw/zinc/98/48/65/350984865.db2.gz IODAMRBOXUYBGD-OCLKLICZSA-N 0 3 276.355 2.920 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2ccc(C(=O)OC)n2C)C1 ZINC000602711994 350993812 /nfs/dbraw/zinc/99/38/12/350993812.db2.gz WIMZQXPUUCVQLN-CYBMUJFWSA-N 0 3 276.380 2.600 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000602711298 350994016 /nfs/dbraw/zinc/99/40/16/350994016.db2.gz IVEBHQZXMFERET-WMZOPIPTSA-N 0 3 285.435 2.785 20 30 CFEDHN N#CC1CCC(N[C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000602722589 351000750 /nfs/dbraw/zinc/00/07/50/351000750.db2.gz OKJQRTAZWKHNDX-QHAMSDLMSA-N 0 3 280.318 2.670 20 30 CFEDHN COc1ccccc1N1CCC(NCC(C)(C)C#N)CC1 ZINC000602612969 350946453 /nfs/dbraw/zinc/94/64/53/350946453.db2.gz KFLFNYDWMFLNRO-UHFFFAOYSA-N 0 3 287.407 2.803 20 30 CFEDHN Cc1cnc([C@@H](C)CNCc2cccc(C#N)n2)s1 ZINC000602613728 350946490 /nfs/dbraw/zinc/94/64/90/350946490.db2.gz PLPSNIZZPLHZTK-JTQLQIEISA-N 0 3 272.377 2.612 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602615500 350947163 /nfs/dbraw/zinc/94/71/63/350947163.db2.gz DHMHAZXXZHLEOH-CABCVRRESA-N 0 3 273.380 2.635 20 30 CFEDHN CC(C)O[C@@H]1C[C@@H](NCc2cccc(C#N)n2)C1(C)C ZINC000602615504 350947415 /nfs/dbraw/zinc/94/74/15/350947415.db2.gz DHMHAZXXZHLEOH-HUUCEWRRSA-N 0 3 273.380 2.635 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cccc(C#N)n1 ZINC000602621652 350950107 /nfs/dbraw/zinc/95/01/07/350950107.db2.gz PJDDTUBWCITMGC-HOTGVXAUSA-N 0 3 273.380 2.637 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000602631661 350953159 /nfs/dbraw/zinc/95/31/59/350953159.db2.gz QCFNSHNEWVQZKX-INIZCTEOSA-N 0 3 285.391 2.925 20 30 CFEDHN N#CCC1(CN2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000602762156 351015834 /nfs/dbraw/zinc/01/58/34/351015834.db2.gz HZXCVVGCYMNNLA-UHFFFAOYSA-N 0 3 294.402 2.764 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCO[C@H]1C ZINC000602767846 351018479 /nfs/dbraw/zinc/01/84/79/351018479.db2.gz GTJCYECWFDNNFI-WMLDXEAASA-N 0 3 270.376 2.971 20 30 CFEDHN N#CCC1(CNC2(c3cccc(C#N)c3)CC2)CC1 ZINC000602798197 351029402 /nfs/dbraw/zinc/02/94/02/351029402.db2.gz AZRSJUFPCQCILA-UHFFFAOYSA-N 0 3 251.333 2.831 20 30 CFEDHN CC(C)OC(=O)C[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602811501 351034970 /nfs/dbraw/zinc/03/49/70/351034970.db2.gz SINPXMQNABNKRW-CQSZACIVSA-N 0 3 278.396 2.734 20 30 CFEDHN CC(C)OC(=O)C[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602811500 351034996 /nfs/dbraw/zinc/03/49/96/351034996.db2.gz SINPXMQNABNKRW-AWEZNQCLSA-N 0 3 278.396 2.734 20 30 CFEDHN N#CCC1(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000602839560 351041704 /nfs/dbraw/zinc/04/17/04/351041704.db2.gz VDUNBQXFBMGKMY-UONOGXRCSA-N 0 3 260.381 2.714 20 30 CFEDHN CC(C)CN(Cc1cnn(C)c1)CC1(CC#N)CC1 ZINC000602840405 351042334 /nfs/dbraw/zinc/04/23/34/351042334.db2.gz HMGPHOKHLFZWMY-UHFFFAOYSA-N 0 3 260.385 2.572 20 30 CFEDHN C[C@H]1CN(CC2CCC(F)(F)CC2)C[C@H](C)N1CC#N ZINC000602847874 351044070 /nfs/dbraw/zinc/04/40/70/351044070.db2.gz DRWHZDKSJHNZHM-STQMWFEESA-N 0 3 285.382 2.730 20 30 CFEDHN C[C@H]1CN(Cc2cccc3ncccc23)C[C@H](C)N1CC#N ZINC000602852088 351044703 /nfs/dbraw/zinc/04/47/03/351044703.db2.gz ZUIPIBZVMPXSDA-GJZGRUSLSA-N 0 3 294.402 2.653 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](n3ccnn3)CC2)cc1C#N ZINC000602894035 351059305 /nfs/dbraw/zinc/05/93/05/351059305.db2.gz XGAXKHDYZCKUGX-KRWDZBQOSA-N 0 3 295.390 2.685 20 30 CFEDHN CC1(C)CO[C@H](CN2CCC(c3ccc(C#N)cn3)CC2)C1 ZINC000602908048 351063026 /nfs/dbraw/zinc/06/30/26/351063026.db2.gz YGMQGXPRKVQTTJ-INIZCTEOSA-N 0 3 299.418 2.948 20 30 CFEDHN C[C@@H](CN(C)Cc1cnc2c(C#N)cnn2c1)C(C)(C)C ZINC000602758577 351014659 /nfs/dbraw/zinc/01/46/59/351014659.db2.gz KOIPXQHQPMIQSA-LBPRGKRZSA-N 0 3 285.395 2.715 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000603227687 351121860 /nfs/dbraw/zinc/12/18/60/351121860.db2.gz OCBHTEHGWIHYBI-IAQYHMDHSA-N 0 3 283.379 2.805 20 30 CFEDHN CCOC(=O)CCCCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602978663 351079884 /nfs/dbraw/zinc/07/98/84/351079884.db2.gz UMTIRFZYMNUDQN-KGLIPLIRSA-N 0 3 266.385 2.734 20 30 CFEDHN CC[C@@]1(O)CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000602981518 351082401 /nfs/dbraw/zinc/08/24/01/351082401.db2.gz FIVDXPKSEQLCFF-XJKSGUPXSA-N 0 3 258.365 2.856 20 30 CFEDHN CC[C@@]1(O)CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000602983699 351085219 /nfs/dbraw/zinc/08/52/19/351085219.db2.gz QPGXRYWEVRKVIF-MRXNPFEDSA-N 0 3 258.365 2.604 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1F ZINC000602996996 351088325 /nfs/dbraw/zinc/08/83/25/351088325.db2.gz AFCGADLQXXSFCA-OAGGEKHMSA-N 0 3 288.366 2.823 20 30 CFEDHN C=CCCCN1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603000749 351089055 /nfs/dbraw/zinc/08/90/55/351089055.db2.gz NNIYPEHMGPASOT-UHFFFAOYSA-N 0 3 278.352 2.607 20 30 CFEDHN CC[C@H](N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603250188 351125377 /nfs/dbraw/zinc/12/53/77/351125377.db2.gz KUQHSPALAUWCHP-AWEZNQCLSA-N 0 3 283.379 2.537 20 30 CFEDHN CCC[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000608815927 351474599 /nfs/dbraw/zinc/47/45/99/351474599.db2.gz PQTXQIURRGOEMF-IAGOWNOFSA-N 0 3 299.418 2.707 20 30 CFEDHN C#CC[C@@H](N[C@@H](C)CC(=O)N(CC)CC)c1ccccc1 ZINC000271433009 191135669 /nfs/dbraw/zinc/13/56/69/191135669.db2.gz DIRDLSPQGIDLQB-DOTOQJQBSA-N 0 3 286.419 2.988 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C#N)CCC2)C1 ZINC000609856405 351523113 /nfs/dbraw/zinc/52/31/13/351523113.db2.gz OTUPVAOPIZHSSY-GOEBONIOSA-N 0 3 297.402 2.632 20 30 CFEDHN CC(C#N)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000609919759 351528283 /nfs/dbraw/zinc/52/82/83/351528283.db2.gz KPQBLVTXUHOTAO-ZDUSSCGKSA-N 0 3 286.375 2.723 20 30 CFEDHN CC(C#N)C(=O)NCc1cccc(COCc2ccco2)c1 ZINC000609920284 351528468 /nfs/dbraw/zinc/52/84/68/351528468.db2.gz YWWQHWQPJDVXJJ-ZDUSSCGKSA-N 0 3 298.342 2.772 20 30 CFEDHN CC(C#N)C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000609919758 351528731 /nfs/dbraw/zinc/52/87/31/351528731.db2.gz KPQBLVTXUHOTAO-CYBMUJFWSA-N 0 3 286.375 2.723 20 30 CFEDHN Cc1cc(CNCc2cccc(OCCCC#N)c2)n[nH]1 ZINC000610009899 351531548 /nfs/dbraw/zinc/53/15/48/351531548.db2.gz BLRZDFZPEQMWON-UHFFFAOYSA-N 0 3 284.363 2.691 20 30 CFEDHN N#Cc1ccc(CNCCN2CCCc3ccccc32)o1 ZINC000610270760 351545418 /nfs/dbraw/zinc/54/54/18/351545418.db2.gz DAWMSKRMXZNNBX-UHFFFAOYSA-N 0 3 281.359 2.694 20 30 CFEDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000610429766 351565785 /nfs/dbraw/zinc/56/57/85/351565785.db2.gz AWTXLQQGRPOKGR-MJBXVCDLSA-N 0 3 285.391 2.608 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)C(=O)C(C)C#N)C12CCCCC2 ZINC000610428884 351565813 /nfs/dbraw/zinc/56/58/13/351565813.db2.gz GBAWKARDSSFJGY-HZSPNIEDSA-N 0 3 278.396 2.732 20 30 CFEDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cc(C#N)cs1 ZINC000610488780 351570127 /nfs/dbraw/zinc/57/01/27/351570127.db2.gz SNCUKTMJAYBEIO-MLGOLLRUSA-N 0 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HMYXQAMMUJOMMM-ZDUSSCGKSA-N 0 3 285.391 2.658 20 30 CFEDHN COCCOC[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394839 351682003 /nfs/dbraw/zinc/68/20/03/351682003.db2.gz JIDZEJPKTUDLQZ-SUMWQHHRSA-N 0 3 288.391 2.577 20 30 CFEDHN COCCOC[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394836 351682083 /nfs/dbraw/zinc/68/20/83/351682083.db2.gz JIDZEJPKTUDLQZ-CXAGYDPISA-N 0 3 288.391 2.577 20 30 CFEDHN CC(C)N1C[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1=O ZINC000611394805 351682326 /nfs/dbraw/zinc/68/23/26/351682326.db2.gz FPCKQDFZSWMYPR-RDJZCZTQSA-N 0 3 297.402 2.535 20 30 CFEDHN Cc1noc(C)c1[C@@H](C)NCCCSCC#N ZINC000611409071 351684385 /nfs/dbraw/zinc/68/43/85/351684385.db2.gz JOBOYRZUTIJAKY-SECBINFHSA-N 0 3 253.371 2.589 20 30 CFEDHN CCn1c2ccccc2nc1CNCCCCC#N ZINC000611547590 351706986 /nfs/dbraw/zinc/70/69/86/351706986.db2.gz MXBOSMIKEOHPFN-UHFFFAOYSA-N 0 3 256.353 2.840 20 30 CFEDHN CCN(Cc1cccc(C#N)c1F)C[C@@H]1CCOC1 ZINC000611371137 351676053 /nfs/dbraw/zinc/67/60/53/351676053.db2.gz YBQHTOBRAGIPBX-LBPRGKRZSA-N 0 3 262.328 2.556 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000612104407 351775377 /nfs/dbraw/zinc/77/53/77/351775377.db2.gz QRINNMKMODACBJ-KRWDZBQOSA-N 0 3 294.402 2.996 20 30 CFEDHN Cn1nc(CNCC(C)(C)CCC#N)c2ccccc21 ZINC000612692023 351853158 /nfs/dbraw/zinc/85/31/58/351853158.db2.gz DREJVEVNGHKHEK-UHFFFAOYSA-N 0 3 270.380 2.993 20 30 CFEDHN N#Cc1ccc2ncc(CNCc3cccs3)n2c1 ZINC000123168047 187074845 /nfs/dbraw/zinc/07/48/45/187074845.db2.gz QHAARACWRYXCLW-UHFFFAOYSA-N 0 3 268.345 2.557 20 30 CFEDHN COCCCOC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000122557343 187038240 /nfs/dbraw/zinc/03/82/40/187038240.db2.gz WUWANMZKNMTMIV-UHFFFAOYSA-N 0 3 288.391 2.576 20 30 CFEDHN Cc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000123215247 187077957 /nfs/dbraw/zinc/07/79/57/187077957.db2.gz HBXPKKYRGZQAMX-UHFFFAOYSA-N 0 3 276.343 2.804 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](O)Cc1ccccc1 ZINC000123307498 187084488 /nfs/dbraw/zinc/08/44/88/187084488.db2.gz GPTDUYDSRQBINY-BLLLJJGKSA-N 0 3 286.400 2.701 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000613385533 351948572 /nfs/dbraw/zinc/94/85/72/351948572.db2.gz RUWCKOSQWOBOOH-HUUCEWRRSA-N 0 3 265.397 2.842 20 30 CFEDHN CN(c1nc(C(C)(C)C)ccc1C#N)[C@H]1CCN(C2CC2)C1 ZINC000613423641 351955993 /nfs/dbraw/zinc/95/59/93/351955993.db2.gz MPRLBXVSFFYXFY-HNNXBMFYSA-N 0 3 298.434 2.924 20 30 CFEDHN CN1CC[C@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)[C@H]2C1 ZINC000613429345 351958230 /nfs/dbraw/zinc/95/82/30/351958230.db2.gz QTDUMEDYAFMDGM-ZFWWWQNUSA-N 0 3 298.434 2.781 20 30 CFEDHN COc1cccc2c1OCC[C@@H]2N[C@H]1CC[C@H](C#N)C1 ZINC000613666843 351995052 /nfs/dbraw/zinc/99/50/52/351995052.db2.gz GETASFOEJUUFBO-OBJOEFQTSA-N 0 3 272.348 2.801 20 30 CFEDHN CN(CCN(C)C1CC1)c1cc(C#N)nc2ccccc21 ZINC000613701020 351999496 /nfs/dbraw/zinc/99/94/96/351999496.db2.gz BVGUVCGFWJIVKQ-UHFFFAOYSA-N 0 3 280.375 2.637 20 30 CFEDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160741 352054611 /nfs/dbraw/zinc/05/46/11/352054611.db2.gz CLILLVYXMLHCLK-ZDUSSCGKSA-N 0 3 288.391 2.729 20 30 CFEDHN C=CCOCCNCc1ccc(OC(F)F)cc1 ZINC000310729944 539830720 /nfs/dbraw/zinc/83/07/20/539830720.db2.gz VXQFAVLFNBNDAW-UHFFFAOYSA-N 0 3 257.280 2.580 20 30 CFEDHN C=CCOCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615727323 352236279 /nfs/dbraw/zinc/23/62/79/352236279.db2.gz JDIQGEWUFLAFKE-RAXLEYEMSA-N 0 3 276.336 2.790 20 30 CFEDHN Cc1cn(CCN(C)Cc2ccc(F)cc2)cc1C#N ZINC000615686888 352230068 /nfs/dbraw/zinc/23/00/68/352230068.db2.gz AQRQCQCXRODBKQ-UHFFFAOYSA-N 0 3 271.339 2.939 20 30 CFEDHN C[C@H](NCCC(=O)Nc1cccnc1)c1cccc(C#N)c1 ZINC000616770540 352428056 /nfs/dbraw/zinc/42/80/56/352428056.db2.gz VSOOFFBSRZWOOV-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000617005902 352461027 /nfs/dbraw/zinc/46/10/27/352461027.db2.gz QOQJHVDIYZPLEY-LBPRGKRZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN(CC)CC ZINC000617036714 352473928 /nfs/dbraw/zinc/47/39/28/352473928.db2.gz DGZUKGLSVWQTGQ-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccnc(C#N)c1 ZINC000617548451 352578929 /nfs/dbraw/zinc/57/89/29/352578929.db2.gz OBEFEFZCEFONPF-LSDHHAIUSA-N 0 3 273.380 2.637 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000617782556 352645086 /nfs/dbraw/zinc/64/50/86/352645086.db2.gz HVXYFURQFNTCGE-RBSFLKMASA-N 0 3 264.413 2.674 20 30 CFEDHN Cc1cc(CNCc2ccc([S@](C)=O)cc2)ccc1C#N ZINC000618194457 352735491 /nfs/dbraw/zinc/73/54/91/352735491.db2.gz ONXLCPUEWAQIDP-NRFANRHFSA-N 0 3 298.411 2.894 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000618571874 352814719 /nfs/dbraw/zinc/81/47/19/352814719.db2.gz IXWYDOHLWQBVOP-SMDDNHRTSA-N 0 3 299.353 2.783 20 30 CFEDHN CC(C)(C#N)CNCCCc1ccc2c(c1)CCO2 ZINC000619509302 353030691 /nfs/dbraw/zinc/03/06/91/353030691.db2.gz IWJAGVNERZTCHA-UHFFFAOYSA-N 0 3 258.365 2.693 20 30 CFEDHN CO[C@@H](C)[C@@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754541 353063303 /nfs/dbraw/zinc/06/33/03/353063303.db2.gz COFQQZMDNOYILX-ZJUUUORDSA-N 0 3 252.745 2.725 20 30 CFEDHN CO[C@@H](C)[C@H](C)NCc1ccc(C#N)c(Cl)c1 ZINC000619754539 353063513 /nfs/dbraw/zinc/06/35/13/353063513.db2.gz COFQQZMDNOYILX-UWVGGRQHSA-N 0 3 252.745 2.725 20 30 CFEDHN CCC#C[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785244 353066540 /nfs/dbraw/zinc/06/65/40/353066540.db2.gz PPJRUELTOQNLRR-ZDUSSCGKSA-N 0 3 260.337 2.871 20 30 CFEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)C(=O)N1CCCC1 ZINC000619611610 353040274 /nfs/dbraw/zinc/04/02/74/353040274.db2.gz RQDGCGUOQNDLDZ-SUMWQHHRSA-N 0 3 297.402 2.536 20 30 CFEDHN CCC(=O)Nc1cccc(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000619672376 353047855 /nfs/dbraw/zinc/04/78/55/353047855.db2.gz SMTHWKDNQIYJOS-JSGCOSHPSA-N 0 3 271.364 2.817 20 30 CFEDHN Cn1ccnc1C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000619672831 353047901 /nfs/dbraw/zinc/04/79/01/353047901.db2.gz KNKRGGXMRFPORY-PVAVHDDUSA-N 0 3 294.402 2.986 20 30 CFEDHN C=CCSCCN[C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292267291 198224266 /nfs/dbraw/zinc/22/42/66/198224266.db2.gz TXMQHBGABUDZKL-CYBMUJFWSA-N 0 3 292.448 2.958 20 30 CFEDHN C#CCSCCNCc1c[nH]nc1-c1ccccc1F ZINC000152242242 188004048 /nfs/dbraw/zinc/00/40/48/188004048.db2.gz FBZHTBHTHZRHFZ-UHFFFAOYSA-N 0 3 289.379 2.672 20 30 CFEDHN C#CCSCCNCc1cc(Br)cs1 ZINC000152928516 188053264 /nfs/dbraw/zinc/05/32/64/188053264.db2.gz GYGDEHFBENGTIP-UHFFFAOYSA-N 0 3 290.251 2.967 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000152950098 188054912 /nfs/dbraw/zinc/05/49/12/188054912.db2.gz AVZFNQKRMDUCAS-ZFWWWQNUSA-N 0 3 283.375 2.546 20 30 CFEDHN COc1ccc(CN[C@@H](CCO)c2ccccc2)cc1C#N ZINC000271665405 191268322 /nfs/dbraw/zinc/26/83/22/191268322.db2.gz LXTUMJKSJCFVMV-KRWDZBQOSA-N 0 3 296.370 2.780 20 30 CFEDHN Cc1cc(C)n(CCN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000271669875 191269476 /nfs/dbraw/zinc/26/94/76/191269476.db2.gz NBIYJWZVDWTICN-AWEZNQCLSA-N 0 3 268.364 2.722 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000271676779 191272514 /nfs/dbraw/zinc/27/25/14/191272514.db2.gz OERKAGBTLAEJDT-CMPLNLGQSA-N 0 3 255.308 2.943 20 30 CFEDHN CC#CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155855984 188231411 /nfs/dbraw/zinc/23/14/11/188231411.db2.gz WNGXANPAMNMCKA-UHFFFAOYSA-N 0 3 288.347 2.851 20 30 CFEDHN Fc1ccc(C#CCN(C[C@H]2CCOC2)C2CC2)cc1 ZINC000156110662 188243234 /nfs/dbraw/zinc/24/32/34/188243234.db2.gz AEEJAPCOPBMCSK-OAHLLOKOSA-N 0 3 273.351 2.678 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157895844 188345166 /nfs/dbraw/zinc/34/51/66/188345166.db2.gz NYLZBGUOTSVOSV-GXTWGEPZSA-N 0 3 279.428 2.924 20 30 CFEDHN C=CCCOCCN[C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621755890 353419334 /nfs/dbraw/zinc/41/93/34/353419334.db2.gz DFNJJUAZTRJFCU-INIZCTEOSA-N 0 3 288.391 2.667 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1 ZINC000621739009 353415710 /nfs/dbraw/zinc/41/57/10/353415710.db2.gz ZMMSIOHNIYQWAW-GDBMZVCRSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CC[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000623369331 353627286 /nfs/dbraw/zinc/62/72/86/353627286.db2.gz ZRKUFEZCOQNSCW-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(OCC)c(OC)cc1F ZINC000623542003 353667368 /nfs/dbraw/zinc/66/73/68/353667368.db2.gz IGDOYJOWARBBSX-CYBMUJFWSA-N 0 3 297.370 2.650 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000129591892 260387965 /nfs/dbraw/zinc/38/79/65/260387965.db2.gz KWPPQQHTEYXQNQ-CABCVRRESA-N 0 3 261.365 2.500 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1 ZINC000623718001 353710763 /nfs/dbraw/zinc/71/07/63/353710763.db2.gz SOEHJHZWRYZRRF-OWCLPIDISA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCCC23CC3)nn1 ZINC000623825417 353732471 /nfs/dbraw/zinc/73/24/71/353732471.db2.gz BMDFLIRAGRPNIM-ZDUSSCGKSA-N 0 3 260.385 2.524 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000624182394 353826985 /nfs/dbraw/zinc/82/69/85/353826985.db2.gz AISUEGLFAHAWOG-XPKDYRNWSA-N 0 3 270.376 2.884 20 30 CFEDHN C=CCN(CCOC1CCOCC1)Cc1ccccc1 ZINC000625052780 353970789 /nfs/dbraw/zinc/97/07/89/353970789.db2.gz JEWGZYKVIDLHPU-UHFFFAOYSA-N 0 3 275.392 2.870 20 30 CFEDHN C#CC[C@H](NCCC(=O)OC(C)C)c1ccccc1 ZINC000271720636 191290321 /nfs/dbraw/zinc/29/03/21/191290321.db2.gz QATQJJIQBKIMQK-HNNXBMFYSA-N 0 3 259.349 2.682 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2sccc2C)C1 ZINC000625700583 354089358 /nfs/dbraw/zinc/08/93/58/354089358.db2.gz KWPSNBDWWLWDOP-CYBMUJFWSA-N 0 3 278.421 2.571 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cn(C)nc2C(F)F)C1 ZINC000625704326 354091260 /nfs/dbraw/zinc/09/12/60/354091260.db2.gz XTKIKVKHRYCQIU-JTQLQIEISA-N 0 3 255.312 2.756 20 30 CFEDHN C=CCC1(NCc2cncc(OC)n2)CCCCC1 ZINC000625933739 354147945 /nfs/dbraw/zinc/14/79/45/354147945.db2.gz NPVORDLVWQSPNJ-UHFFFAOYSA-N 0 3 261.369 2.854 20 30 CFEDHN C=CCOCCN1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626127133 354203345 /nfs/dbraw/zinc/20/33/45/354203345.db2.gz FKSPEUKCDVUMMQ-CQSZACIVSA-N 0 3 279.355 2.826 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC[C@@H](N)c1ccccc1 ZINC000627079009 354344571 /nfs/dbraw/zinc/34/45/71/354344571.db2.gz WANHNCVRRBNYGQ-CQSZACIVSA-N 0 3 275.396 2.588 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnc2ccccc2n1 ZINC000628258486 354508160 /nfs/dbraw/zinc/50/81/60/354508160.db2.gz GSDLLEMPEQUIMX-CXAGYDPISA-N 0 3 283.375 2.701 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnc(C2CC2)o1 ZINC000628258516 354508750 /nfs/dbraw/zinc/50/87/50/354508750.db2.gz HJWJRWJBDYSQHU-OCCSQVGLSA-N 0 3 262.353 2.623 20 30 CFEDHN C=CCOc1c(Cl)cc(CN(C)[C@H](C)CO)cc1OC ZINC000628279201 354516329 /nfs/dbraw/zinc/51/63/29/354516329.db2.gz ZLHPYTHYAPCQEM-LLVKDONJSA-N 0 3 299.798 2.726 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000628405425 354579212 /nfs/dbraw/zinc/57/92/12/354579212.db2.gz LSNQHDNJOMSKQI-ZDUSSCGKSA-N 0 3 289.375 2.864 20 30 CFEDHN C=CCOc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000628461081 354593829 /nfs/dbraw/zinc/59/38/29/354593829.db2.gz HXROWNSRPMZOMM-FUHWJXTLSA-N 0 3 287.403 2.846 20 30 CFEDHN CC#CCCCC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000628544617 354625783 /nfs/dbraw/zinc/62/57/83/354625783.db2.gz SLQVFNRUMOFBCR-INIZCTEOSA-N 0 3 276.424 2.703 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000628965253 354710457 /nfs/dbraw/zinc/71/04/57/354710457.db2.gz BEHFRPMDDVYPOR-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C=C1CCC1 ZINC001085166772 781933779 /nfs/dbraw/zinc/93/37/79/781933779.db2.gz RFACDUADQPUNHJ-ZIAGYGMSSA-N 0 3 282.815 2.866 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000630439159 355084528 /nfs/dbraw/zinc/08/45/28/355084528.db2.gz MYSDWYAUSDUFGL-OAHLLOKOSA-N 0 3 272.392 2.762 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000630592680 355122378 /nfs/dbraw/zinc/12/23/78/355122378.db2.gz VGVNICORATXICQ-INIZCTEOSA-N 0 3 284.403 2.733 20 30 CFEDHN N#Cc1cccc(C2(NC[C@H](O)Cc3ccccc3)CC2)c1 ZINC000271841435 191361927 /nfs/dbraw/zinc/36/19/27/191361927.db2.gz VVXOKANQVUNOTK-GOSISDBHSA-N 0 3 292.382 2.741 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(OC)c(OC)cc1Cl ZINC000631108078 355295127 /nfs/dbraw/zinc/29/51/27/355295127.db2.gz RVTUYFNCIPDCEV-LLVKDONJSA-N 0 3 299.798 2.631 20 30 CFEDHN C=C1CC(C)(C(=O)NCCN2[C@H](C)CCC[C@H]2C)C1 ZINC000631144915 355314237 /nfs/dbraw/zinc/31/42/37/355314237.db2.gz WDWIZSYXNWFMGV-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1c(Br)cnn1C ZINC000631684964 355547252 /nfs/dbraw/zinc/54/72/52/355547252.db2.gz PDXWZXBZFJWVHA-VHSXEESVSA-N 0 3 286.217 2.873 20 30 CFEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2c(OC)cccc21 ZINC000631602615 355511408 /nfs/dbraw/zinc/51/14/08/355511408.db2.gz HHDXGEXLUZVBEN-ZFWWWQNUSA-N 0 3 291.391 2.683 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2cc(OC)ncc2F)CC1 ZINC000287585834 540193414 /nfs/dbraw/zinc/19/34/14/540193414.db2.gz HSPBCMDKZUUQAX-GFCCVEGCSA-N 0 3 293.386 2.530 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000632307898 355686725 /nfs/dbraw/zinc/68/67/25/355686725.db2.gz NMBULLJXARQKMP-OAHLLOKOSA-N 0 3 286.419 2.979 20 30 CFEDHN COCC#CCN1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000680090921 540197332 /nfs/dbraw/zinc/19/73/32/540197332.db2.gz JONAVEMWBVGROQ-PBHICJAKSA-N 0 3 273.376 2.728 20 30 CFEDHN N#Cc1ccc(CN2CCCC23CCOCC3)c(F)c1 ZINC000374293613 283139546 /nfs/dbraw/zinc/13/95/46/283139546.db2.gz CPDIDDRMGJRFPW-UHFFFAOYSA-N 0 3 274.339 2.842 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634274697 356134979 /nfs/dbraw/zinc/13/49/79/356134979.db2.gz HCEQNIPYLMYJAG-INIZCTEOSA-N 0 3 286.419 2.898 20 30 CFEDHN N#Cc1ccc(CNCCn2cccn2)c(C(F)(F)F)c1 ZINC000352840276 283145197 /nfs/dbraw/zinc/14/51/97/283145197.db2.gz MYDLCPJOGAIRRO-UHFFFAOYSA-N 0 3 294.280 2.563 20 30 CFEDHN N#Cc1ccc(CNC2(CO)CCCC2)c(C(F)(F)F)c1 ZINC000356437441 283144606 /nfs/dbraw/zinc/14/46/06/283144606.db2.gz LVLKLBCZVJZPJW-UHFFFAOYSA-N 0 3 298.308 2.972 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H](O)C(F)(F)F ZINC000360648143 283192873 /nfs/dbraw/zinc/19/28/73/283192873.db2.gz PGINXHPWKOOILO-KGLIPLIRSA-N 0 3 298.308 2.839 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCC(F)(F)[C@@H]1O)CC2 ZINC000414306197 283199433 /nfs/dbraw/zinc/19/94/33/283199433.db2.gz SLQQPISTZLREQA-QLFBSQMISA-N 0 3 292.329 2.684 20 30 CFEDHN N#Cc1cnc(N2CCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000363402075 283231488 /nfs/dbraw/zinc/23/14/88/283231488.db2.gz DQCBMMQTAHFODH-CYBMUJFWSA-N 0 3 290.798 2.671 20 30 CFEDHN C=CC(C)(C)C(=O)NCc1ccccc1CN(C)C ZINC000294441698 199040959 /nfs/dbraw/zinc/04/09/59/199040959.db2.gz OICPFAIGULZCNA-UHFFFAOYSA-N 0 3 260.381 2.577 20 30 CFEDHN OCC[C@@H]1CCCCCN1CC#Cc1ccccc1 ZINC000342043758 540385194 /nfs/dbraw/zinc/38/51/94/540385194.db2.gz DZKCLTYNRHRUIE-KRWDZBQOSA-N 0 3 257.377 2.665 20 30 CFEDHN Cc1cccnc1CCNCc1ccc(C#N)s1 ZINC000294738545 199160012 /nfs/dbraw/zinc/16/00/12/199160012.db2.gz DVXIFRQDKAQGEV-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2ccsc2C)CC1 ZINC000294778287 199178956 /nfs/dbraw/zinc/17/89/56/199178956.db2.gz ZREBTVCAYVUJIX-UHFFFAOYSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CCC[C@H](N[C@H]1CCCN(CCCO)C1)c1ccco1 ZINC000297265898 200130568 /nfs/dbraw/zinc/13/05/68/200130568.db2.gz KJIUVAPFGRUASH-HOTGVXAUSA-N 0 3 292.423 2.723 20 30 CFEDHN CS[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H]1N(C)C ZINC000297467374 200200777 /nfs/dbraw/zinc/20/07/77/200200777.db2.gz KPEZVLUBFMBBSN-KGLIPLIRSA-N 0 3 295.839 2.693 20 30 CFEDHN C[C@]12CCN(C[C@H](O)c3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000298195122 200357871 /nfs/dbraw/zinc/35/78/71/200357871.db2.gz BUSVFHTZGUNSKQ-ZNMIVQPWSA-N 0 3 292.329 2.569 20 30 CFEDHN N#Cc1ccc(CNCCSC(F)(F)F)s1 ZINC000176951925 189016534 /nfs/dbraw/zinc/01/65/34/189016534.db2.gz QMUSESBMHVAWCW-UHFFFAOYSA-N 0 3 266.313 2.962 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](O)c1ccc(F)cc1 ZINC000176970936 189017240 /nfs/dbraw/zinc/01/72/40/189017240.db2.gz QAHIAGGRKJSOCL-BONVTDFDSA-N 0 3 290.363 2.971 20 30 CFEDHN Cc1cc([C@](C)(O)CNCc2ccc(C#N)s2)c(C)o1 ZINC000176975148 189018365 /nfs/dbraw/zinc/01/83/65/189018365.db2.gz JSUQNOVNWUBERR-OAHLLOKOSA-N 0 3 290.388 2.827 20 30 CFEDHN CN(CCNCc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000176988653 189019551 /nfs/dbraw/zinc/01/95/51/189019551.db2.gz MBUAIOVPKGSSLI-UHFFFAOYSA-N 0 3 297.377 2.919 20 30 CFEDHN CCCC[C@H](COC)NCc1ccc(C#N)cc1F ZINC000177859412 189074842 /nfs/dbraw/zinc/07/48/42/189074842.db2.gz VCSGJTUTSQRKHF-CQSZACIVSA-N 0 3 264.344 2.992 20 30 CFEDHN CC[C@@]1(NCC#Cc2ccccc2Cl)CCOC1 ZINC000683041766 540736426 /nfs/dbraw/zinc/73/64/26/540736426.db2.gz ADKVWXGGDRKDCL-OAHLLOKOSA-N 0 3 263.768 2.850 20 30 CFEDHN C=CCC[C@@H](NCC(=O)NC(C)C)c1ccccc1 ZINC000178755956 189142960 /nfs/dbraw/zinc/14/29/60/189142960.db2.gz LHHJVUATHJPNHU-OAHLLOKOSA-N 0 3 260.381 2.808 20 30 CFEDHN C=CCOc1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000684416157 540851369 /nfs/dbraw/zinc/85/13/69/540851369.db2.gz UZEQHTOPTPHBMD-HNNXBMFYSA-N 0 3 273.376 2.720 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000684907640 540888955 /nfs/dbraw/zinc/88/89/55/540888955.db2.gz MWKOJDINIVPDPU-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC000179753707 189218122 /nfs/dbraw/zinc/21/81/22/189218122.db2.gz UAWZYDIKMMONHT-GOSISDBHSA-N 0 3 298.430 2.947 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000179753582 189218252 /nfs/dbraw/zinc/21/82/52/189218252.db2.gz SXOKAPOQVDDYQJ-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN C#CCSCCN[C@H](C)c1nc2ccccc2n1C ZINC000180182743 189241575 /nfs/dbraw/zinc/24/15/75/189241575.db2.gz YCNINBZKMBYXLN-GFCCVEGCSA-N 0 3 273.405 2.590 20 30 CFEDHN C=CCC[C@H](NCC(=O)NC1CC1)c1ccccc1 ZINC000180041189 189234172 /nfs/dbraw/zinc/23/41/72/189234172.db2.gz KNSQVDWXQAOIMS-HNNXBMFYSA-N 0 3 258.365 2.562 20 30 CFEDHN C=CCC[C@@H](NCC(=O)N1CCCC1)c1ccccc1 ZINC000180049439 189234984 /nfs/dbraw/zinc/23/49/84/189234984.db2.gz DXMQDBQQLOCNNS-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN CC(C)N(CC(=O)Nc1sccc1C#N)C(C)C ZINC000180454096 189256285 /nfs/dbraw/zinc/25/62/85/189256285.db2.gz OOPNRGGPONILAV-UHFFFAOYSA-N 0 3 265.382 2.677 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)s1 ZINC000180516910 189259916 /nfs/dbraw/zinc/25/99/16/189259916.db2.gz VMOZJPCJUXKQNQ-OLZOCXBDSA-N 0 3 275.421 2.678 20 30 CFEDHN C=CCC[C@@H](NCCOC[C@H]1CCOC1)c1ccco1 ZINC000671746750 541064711 /nfs/dbraw/zinc/06/47/11/541064711.db2.gz DCOCWUFAAIXQKI-LSDHHAIUSA-N 0 3 279.380 2.930 20 30 CFEDHN C=CCOCCCN(C)C1(C(=O)OCC)CCCCC1 ZINC000348026623 781941517 /nfs/dbraw/zinc/94/15/17/781941517.db2.gz FFTCQEHWRNWJNX-UHFFFAOYSA-N 0 3 283.412 2.777 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)cs1 ZINC000671749382 541072016 /nfs/dbraw/zinc/07/20/16/541072016.db2.gz QFEIFEVRJINBLI-GFCCVEGCSA-N 0 3 271.345 2.953 20 30 CFEDHN CC1([C@@H]2CCCN(Cc3ccccc3C#N)C2)OCCO1 ZINC000183850633 189369451 /nfs/dbraw/zinc/36/94/51/189369451.db2.gz HFOFEJHNIIFMLE-MRXNPFEDSA-N 0 3 286.375 2.533 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)c1nccs1 ZINC000184292781 189382217 /nfs/dbraw/zinc/38/22/17/189382217.db2.gz APJFCFRCBHDPRT-VIFPVBQESA-N 0 3 263.391 2.970 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667803839 541319438 /nfs/dbraw/zinc/31/94/38/541319438.db2.gz PNGAPWSSRRGXKD-LBPRGKRZSA-N 0 3 288.395 2.594 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000433042897 240086087 /nfs/dbraw/zinc/08/60/87/240086087.db2.gz ZDFKATMECULKEY-KRWDZBQOSA-N 0 3 298.361 2.733 20 30 CFEDHN CC[C@@H](NCc1cccn(CC)c1=O)c1ccc(C#N)cc1 ZINC000433089185 240096301 /nfs/dbraw/zinc/09/63/01/240096301.db2.gz HVWILGNLXDKFIH-QGZVFWFLSA-N 0 3 295.386 2.981 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000672576834 541442840 /nfs/dbraw/zinc/44/28/40/541442840.db2.gz RDDHONOWJMXNGA-TZMCWYRMSA-N 0 3 279.380 2.600 20 30 CFEDHN C=C[C@H](CC(=O)NCC1(N(C)C)CCC1)c1ccccc1 ZINC000275697998 193107740 /nfs/dbraw/zinc/10/77/40/193107740.db2.gz BJLVBDAZLUUFCK-OAHLLOKOSA-N 0 3 286.419 2.947 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(CCC(N)=O)CC1 ZINC000275745443 193119386 /nfs/dbraw/zinc/11/93/86/193119386.db2.gz WCCRPLQNISXDOQ-ZDUSSCGKSA-N 0 3 285.391 2.597 20 30 CFEDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc(C#N)s1 ZINC000443791205 241088879 /nfs/dbraw/zinc/08/88/79/241088879.db2.gz PXPLAUHYHOPWRR-SUNKGSAMSA-N 0 3 264.394 2.601 20 30 CFEDHN Cc1cc(CNCCC(=O)OC(C)(C)C)ccc1C#N ZINC000444000630 241107057 /nfs/dbraw/zinc/10/70/57/241107057.db2.gz WTQAHJFVJWHJEA-UHFFFAOYSA-N 0 3 274.364 2.688 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)s1 ZINC000449556944 242026717 /nfs/dbraw/zinc/02/67/17/242026717.db2.gz TZBLVJVHWKEWST-AGIUHOORSA-N 0 3 276.405 2.603 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000675155240 541620666 /nfs/dbraw/zinc/62/06/66/541620666.db2.gz GOGSAHWVYUMLDU-OAHLLOKOSA-N 0 3 264.413 2.745 20 30 CFEDHN N#Cc1ccnc(N2CCN(CCC3=CCCCC3)CC2)c1 ZINC000450260203 242328129 /nfs/dbraw/zinc/32/81/29/242328129.db2.gz BDQILPHHYYVBFD-UHFFFAOYSA-N 0 3 296.418 2.966 20 30 CFEDHN CC[C@H](CNc1cccc(C#N)c1[N+](=O)[O-])N1CCCC1 ZINC000450257503 242329070 /nfs/dbraw/zinc/32/90/70/242329070.db2.gz LWSVOALZTWOGLY-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](Cn1cccn1)c1ccccc1 ZINC000675497120 541662100 /nfs/dbraw/zinc/66/21/00/541662100.db2.gz BPJMLYLKULSMPM-DLBZAZTESA-N 0 3 285.391 2.541 20 30 CFEDHN C=CCC[C@@H](O)CN1CCCO[C@@H](c2ccccc2)C1 ZINC000675496470 541662530 /nfs/dbraw/zinc/66/25/30/541662530.db2.gz XVIBTABTYSJXIM-IAGOWNOFSA-N 0 3 275.392 2.777 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)CNC(C)C ZINC000574340812 335012400 /nfs/dbraw/zinc/01/24/00/335012400.db2.gz WBKBYHGDFIYXPD-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(C)(C)CN(CC#Cc1ccc(F)cc1)CCO ZINC000676558543 541767178 /nfs/dbraw/zinc/76/71/78/541767178.db2.gz QDUMLWUZYKYVNH-UHFFFAOYSA-N 0 3 263.356 2.518 20 30 CFEDHN COC(=O)CC1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000330794306 203243219 /nfs/dbraw/zinc/24/32/19/203243219.db2.gz AANZQMMGQXUSAK-ZDUSSCGKSA-N 0 3 286.375 2.894 20 30 CFEDHN COC(=O)CC1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000330794305 203243392 /nfs/dbraw/zinc/24/33/92/203243392.db2.gz AANZQMMGQXUSAK-CYBMUJFWSA-N 0 3 286.375 2.894 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](O)C(C)(C)C1 ZINC000276117055 193217818 /nfs/dbraw/zinc/21/78/18/193217818.db2.gz YCAOHUCMRIOHKN-SWLSCSKDSA-N 0 3 258.365 2.712 20 30 CFEDHN COCC#CCN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000677477372 541864180 /nfs/dbraw/zinc/86/41/80/541864180.db2.gz FBYVPVIVJMDFIJ-HNNXBMFYSA-N 0 3 257.377 2.937 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000677476537 541864700 /nfs/dbraw/zinc/86/47/00/541864700.db2.gz UEUWUJVRNLHCBH-ZDUSSCGKSA-N 0 3 289.297 2.954 20 30 CFEDHN O=C(NCc1ncc[nH]1)[C@@H]1CCCCN1C1CCCC1 ZINC000329217893 227358088 /nfs/dbraw/zinc/35/80/88/227358088.db2.gz QZTXFJCWEYELNB-ZDUSSCGKSA-N 0 3 276.384 2.663 20 30 CFEDHN CCc1noc(CC)c1CC(=O)NCC1=CCN(C)CC1 ZINC000329216207 227358160 /nfs/dbraw/zinc/35/81/60/227358160.db2.gz OBXHQKRQXUCMCA-UHFFFAOYSA-N 0 3 291.395 2.560 20 30 CFEDHN CN(CCc1ccccn1)Cc1cccc(C#N)c1 ZINC000019844115 372197248 /nfs/dbraw/zinc/19/72/48/372197248.db2.gz QEBCOOMNSZKGOK-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN Cc1ccc(CN(C)CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000026225122 372316073 /nfs/dbraw/zinc/31/60/73/372316073.db2.gz SMYUAWVTCAJRFR-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(C#N)cc1 ZINC000027355358 372339829 /nfs/dbraw/zinc/33/98/29/372339829.db2.gz WLLJEWBMMOSHGQ-CYBMUJFWSA-N 0 3 286.379 2.554 20 30 CFEDHN CN(CCOc1ccccc1C#N)CCc1ccccn1 ZINC000034674326 372512855 /nfs/dbraw/zinc/51/28/55/372512855.db2.gz BCSQEJGUTMUNBR-UHFFFAOYSA-N 0 3 281.359 2.507 20 30 CFEDHN COC(=O)[C@H]1CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000265565996 284332471 /nfs/dbraw/zinc/33/24/71/284332471.db2.gz WAFHPXWBHRZHRW-DOMZBBRYSA-N 0 3 272.348 2.504 20 30 CFEDHN Cc1nc2ccccn2c1CNCc1cccc(C#N)c1 ZINC000037748878 372695622 /nfs/dbraw/zinc/69/56/22/372695622.db2.gz GQNCSAOEBCKZOX-UHFFFAOYSA-N 0 3 276.343 2.804 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)CC ZINC000037800157 372715715 /nfs/dbraw/zinc/71/57/15/372715715.db2.gz SYOVCWWTKWDWED-SNVBAGLBSA-N 0 3 272.801 2.653 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3O2)cc1 ZINC000037996865 372756430 /nfs/dbraw/zinc/75/64/30/372756430.db2.gz SXEBKMUSCOAGMC-INIZCTEOSA-N 0 3 264.328 2.652 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)C(C)(C)C#N)c1ccccc1 ZINC000042107662 372874790 /nfs/dbraw/zinc/87/47/90/372874790.db2.gz AVJYKKMOHPDODD-OAHLLOKOSA-N 0 3 287.407 2.735 20 30 CFEDHN N#Cc1cc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)ccc1F ZINC000451701397 383686671 /nfs/dbraw/zinc/68/66/71/383686671.db2.gz ZXFNEUFIBRVKBV-IJEWVQPXSA-N 0 3 288.366 2.680 20 30 CFEDHN Cc1ccccc1[C@H]1CCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000263741670 383686808 /nfs/dbraw/zinc/68/68/08/383686808.db2.gz RMHLJMVCBDORPB-CVEARBPZSA-N 0 3 299.418 2.545 20 30 CFEDHN C=C(C)CN(CC)C[C@H](O)COc1ccccc1C ZINC000046342182 373049545 /nfs/dbraw/zinc/04/95/45/373049545.db2.gz QEURYTGNQDIXEM-HNNXBMFYSA-N 0 3 263.381 2.633 20 30 CFEDHN C=C(C)CN1CCCN(c2ccccc2C#N)CC1 ZINC000046086750 373043199 /nfs/dbraw/zinc/04/31/99/373043199.db2.gz AVGSGCWHHZJEAF-UHFFFAOYSA-N 0 3 255.365 2.646 20 30 CFEDHN N#Cc1ccccc1N1CCN(C2CCCC2)CC1 ZINC000047852678 373122908 /nfs/dbraw/zinc/12/29/08/373122908.db2.gz RPHYGXBJVQZEIU-UHFFFAOYSA-N 0 3 255.365 2.623 20 30 CFEDHN CCN(CCOc1ccccc1C#N)Cc1ccncc1 ZINC000049024100 373249997 /nfs/dbraw/zinc/24/99/97/373249997.db2.gz QMDIYDHJYSNURG-UHFFFAOYSA-N 0 3 281.359 2.854 20 30 CFEDHN N#Cc1cccc(CN(CCO)Cc2ccccc2)c1 ZINC000049752862 373315875 /nfs/dbraw/zinc/31/58/75/373315875.db2.gz NQWGRAOTUODMSR-UHFFFAOYSA-N 0 3 266.344 2.553 20 30 CFEDHN C=CCOc1ccccc1CNCCN(C)C(C)C ZINC000054111246 373496869 /nfs/dbraw/zinc/49/68/69/373496869.db2.gz PFFOLXTWHJYHQY-UHFFFAOYSA-N 0 3 262.397 2.681 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1cc(C#N)ccc1F ZINC000451723679 383691795 /nfs/dbraw/zinc/69/17/95/383691795.db2.gz ANOMIICPEQHTPS-HNNXBMFYSA-N 0 3 275.371 2.613 20 30 CFEDHN C#CCN(CCn1cccn1)[C@H]1CCc2ccccc21 ZINC000060569390 373699739 /nfs/dbraw/zinc/69/97/39/373699739.db2.gz AUIVGNSOYTWXEP-KRWDZBQOSA-N 0 3 265.360 2.506 20 30 CFEDHN C=CCNC(=O)CN(CCC)[C@@H]1CCc2ccccc2C1 ZINC000064632628 373832785 /nfs/dbraw/zinc/83/27/85/373832785.db2.gz FWQVOIKSBPAZTC-QGZVFWFLSA-N 0 3 286.419 2.558 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000640064208 383694856 /nfs/dbraw/zinc/69/48/56/383694856.db2.gz RMBBDZGUQKLYHQ-QWRGUYRKSA-N 0 3 258.321 2.986 20 30 CFEDHN CC(=O)Nc1cc(C(=O)C(C#N)c2ccccn2)ccc1F ZINC000066507242 373934596 /nfs/dbraw/zinc/93/45/96/373934596.db2.gz LWTPFEYECACMKD-GFCCVEGCSA-N 0 3 297.289 2.669 20 30 CFEDHN C=CCCCCN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000574519979 335023475 /nfs/dbraw/zinc/02/34/75/335023475.db2.gz PQDURXQWNCGQNL-ZIAGYGMSSA-N 0 3 273.442 2.630 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCCCC1 ZINC000069038707 374045477 /nfs/dbraw/zinc/04/54/77/374045477.db2.gz DABOTODQDKUUJT-AWEZNQCLSA-N 0 3 277.412 2.594 20 30 CFEDHN CCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000069091094 374047621 /nfs/dbraw/zinc/04/76/21/374047621.db2.gz MRAKUMUAZAWLFH-CYBMUJFWSA-N 0 3 291.370 2.803 20 30 CFEDHN CC[C@H]1CN(CC)CCN1Cc1ccc(C#N)c(F)c1 ZINC000451745884 383696992 /nfs/dbraw/zinc/69/69/92/383696992.db2.gz YKGLPXYLIJEDGV-HNNXBMFYSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CCOc1ccccc1CNCCCn1ccnc1C ZINC000069754144 374093803 /nfs/dbraw/zinc/09/38/03/374093803.db2.gz SFPOUTWXTMVVSN-UHFFFAOYSA-N 0 3 285.391 2.936 20 30 CFEDHN N#Cc1cccc(CNCCOC2CCCCC2)c1 ZINC000070168090 374136034 /nfs/dbraw/zinc/13/60/34/374136034.db2.gz ZOXBROCQBRAXGC-UHFFFAOYSA-N 0 3 258.365 2.997 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000070754320 374202907 /nfs/dbraw/zinc/20/29/07/374202907.db2.gz XPISHWBFAMXPOY-KGLIPLIRSA-N 0 3 286.419 2.907 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)C(C)(C)C ZINC000072018947 374232423 /nfs/dbraw/zinc/23/24/23/374232423.db2.gz KKUUQWFNDUPGIA-HNNXBMFYSA-N 0 3 260.381 2.666 20 30 CFEDHN COCC#CCN1CCC(Cc2ccc(F)cc2)CC1 ZINC000677818375 541910180 /nfs/dbraw/zinc/91/01/80/541910180.db2.gz KNVLUYSMPJZQOM-UHFFFAOYSA-N 0 3 275.367 2.730 20 30 CFEDHN COc1ccc(CNC[C@H](OC)C(C)(C)C)cc1C#N ZINC000072925424 374301921 /nfs/dbraw/zinc/30/19/21/374301921.db2.gz ZBMDTZWBQXYSCN-HNNXBMFYSA-N 0 3 276.380 2.718 20 30 CFEDHN CC(C)(C#N)CCCCN1CCC[C@H](N2CCCC2=O)C1 ZINC000574512841 335025093 /nfs/dbraw/zinc/02/50/93/335025093.db2.gz NAVOGHQXTLTJBR-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000678121767 541956884 /nfs/dbraw/zinc/95/68/84/541956884.db2.gz GRHVCDZMTLOYMN-UHFFFAOYSA-N 0 3 272.392 2.977 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](CC)C2)CC1 ZINC000077582118 374563935 /nfs/dbraw/zinc/56/39/35/374563935.db2.gz PSHSEZNDIMCLNE-HOCLYGCPSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000076734095 374556429 /nfs/dbraw/zinc/55/64/29/374556429.db2.gz SSFJFTIKRHYPHF-CQSZACIVSA-N 0 3 292.398 2.771 20 30 CFEDHN C=CCCCN(C)CC(=O)N1CCCC[C@@H]1CC ZINC000076733984 374556977 /nfs/dbraw/zinc/55/69/77/374556977.db2.gz WRBNNGFLDYUILU-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000079312027 374602661 /nfs/dbraw/zinc/60/26/61/374602661.db2.gz IHVLMYFQUSZGNS-ZIAGYGMSSA-N 0 3 290.407 2.815 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000087710228 374829195 /nfs/dbraw/zinc/82/91/95/374829195.db2.gz XLQXTUGDZXYGTK-CVEARBPZSA-N 0 3 270.376 2.996 20 30 CFEDHN CC[C@@H](C)CN1CCN(c2ccccc2C#N)CC1 ZINC000088504118 374849137 /nfs/dbraw/zinc/84/91/37/374849137.db2.gz GKAXSDQNRRFWGZ-CQSZACIVSA-N 0 3 257.381 2.726 20 30 CFEDHN Cc1cc(F)ccc1CCNCc1ccc(C#N)o1 ZINC000088744904 374860866 /nfs/dbraw/zinc/86/08/66/374860866.db2.gz VHSPZAXJFASOOI-UHFFFAOYSA-N 0 3 258.296 2.931 20 30 CFEDHN C=CCOc1cccc(CN2CCN(CC)[C@H](C)C2)c1 ZINC000678260964 541988079 /nfs/dbraw/zinc/98/80/79/541988079.db2.gz HJYMFBBMAFRLFL-OAHLLOKOSA-N 0 3 274.408 2.777 20 30 CFEDHN C=CCOc1ccc(CN2CCN(CC)[C@@H](C)C2)cc1 ZINC000678258857 541987483 /nfs/dbraw/zinc/98/74/83/541987483.db2.gz PVUOXLYLOGSSBQ-HNNXBMFYSA-N 0 3 274.408 2.777 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1Cc2ccccc2O1 ZINC000090874878 375033636 /nfs/dbraw/zinc/03/36/36/375033636.db2.gz AABXKPIDBOXBRD-KRWDZBQOSA-N 0 3 278.355 2.994 20 30 CFEDHN C[C@@H](C#N)CNC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842879 375066523 /nfs/dbraw/zinc/06/65/23/375066523.db2.gz LGTDHLBPQDSJQV-HIFPTAJRSA-N 0 3 281.400 2.572 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H](n2cccn2)C1 ZINC000092967959 375170213 /nfs/dbraw/zinc/17/02/13/375170213.db2.gz JOWFTSSHMAHMRI-QGZVFWFLSA-N 0 3 295.386 2.732 20 30 CFEDHN CCN(CC)C(=O)[C@H]1CCCN1CC(C)(C)CCC#N ZINC000092510972 375117485 /nfs/dbraw/zinc/11/74/85/375117485.db2.gz AIHIKMXAHPODKX-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(C#N)o1 ZINC000093324690 375213234 /nfs/dbraw/zinc/21/32/34/375213234.db2.gz SCVUFLHTWXIXQS-LBPRGKRZSA-N 0 3 270.332 2.920 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCC4(CCCC4)C3)n2c1 ZINC000093336596 375215979 /nfs/dbraw/zinc/21/59/79/375215979.db2.gz YSXLDULMROXTIK-UHFFFAOYSA-N 0 3 280.375 2.972 20 30 CFEDHN CN(CCc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000093685418 375295322 /nfs/dbraw/zinc/29/53/22/375295322.db2.gz GWBCRNSYKKKLGX-UHFFFAOYSA-N 0 3 296.399 2.942 20 30 CFEDHN C#CCOc1ccc(CN(C)CCc2nccs2)cc1 ZINC000093843962 375321292 /nfs/dbraw/zinc/32/12/92/375321292.db2.gz XDNOXUVGIGMZDU-UHFFFAOYSA-N 0 3 286.400 2.830 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)CCOCC1CC1 ZINC000094989223 375402432 /nfs/dbraw/zinc/40/24/32/375402432.db2.gz PZTBIZUDXZBSDP-UHFFFAOYSA-N 0 3 288.391 2.686 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)CCC1CCCCC1 ZINC000101565658 375640765 /nfs/dbraw/zinc/64/07/65/375640765.db2.gz JTWQZFJKCSABTG-OAHLLOKOSA-N 0 3 293.455 2.897 20 30 CFEDHN CC(C)[C@H](C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000507252936 247171488 /nfs/dbraw/zinc/17/14/88/247171488.db2.gz OUEYIBFGIXENGZ-LBPRGKRZSA-N 0 3 256.353 2.682 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](CO)CC1)c1ccc(C#N)cc1F ZINC000512643020 247214190 /nfs/dbraw/zinc/21/41/90/247214190.db2.gz UWPBLPIXHKWTOH-OBJOEFQTSA-N 0 3 276.355 2.899 20 30 CFEDHN COCC#CCN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000678741553 542063814 /nfs/dbraw/zinc/06/38/14/542063814.db2.gz LJIZXANBUZOPGP-CQSZACIVSA-N 0 3 261.365 2.774 20 30 CFEDHN COCC#CCN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000678743346 542064144 /nfs/dbraw/zinc/06/41/44/542064144.db2.gz FNGQTEAIDAHKDW-AWEZNQCLSA-N 0 3 291.391 2.783 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678744707 542064260 /nfs/dbraw/zinc/06/42/60/542064260.db2.gz MQMZAAFGEKABAF-MLGOLLRUSA-N 0 3 288.391 2.623 20 30 CFEDHN CCC#C[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000678798044 542070878 /nfs/dbraw/zinc/07/08/78/542070878.db2.gz GSFZURQRAPXTMW-ZIAGYGMSSA-N 0 3 268.364 2.720 20 30 CFEDHN C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000114795149 376090489 /nfs/dbraw/zinc/09/04/89/376090489.db2.gz CATFLUBKBVVBFB-UTUOFQBUSA-N 0 3 289.354 2.897 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000118399070 376292947 /nfs/dbraw/zinc/29/29/47/376292947.db2.gz DUSIEPURKUREDX-ZBFHGGJFSA-N 0 3 295.390 2.623 20 30 CFEDHN CC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C)cc1 ZINC000120540382 376636091 /nfs/dbraw/zinc/63/60/91/376636091.db2.gz PRNMINFEHAXKBA-SJLPKXTDSA-N 0 3 299.418 2.844 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C ZINC000120654354 376661343 /nfs/dbraw/zinc/66/13/43/376661343.db2.gz SIYQEEBTOAOTJQ-IHRRRGAJSA-N 0 3 252.402 2.672 20 30 CFEDHN COC(=O)CCN(Cc1ccc(C#N)cc1F)CC(C)C ZINC000120966460 376734154 /nfs/dbraw/zinc/73/41/54/376734154.db2.gz QDXRQXQHFXGKSH-UHFFFAOYSA-N 0 3 292.354 2.718 20 30 CFEDHN C=CCC[C@H](O)CN(C)CCOc1cccc(C)c1 ZINC000121402158 376823527 /nfs/dbraw/zinc/82/35/27/376823527.db2.gz QEJVLTGUBJEXDA-HNNXBMFYSA-N 0 3 263.381 2.633 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCN(c3ccccn3)C2)s1 ZINC000121766661 376899971 /nfs/dbraw/zinc/89/99/71/376899971.db2.gz XLXDIAQFAAJSOM-CYBMUJFWSA-N 0 3 298.415 2.773 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC(F)F)c(OCC)c1 ZINC000123071170 376944170 /nfs/dbraw/zinc/94/41/70/376944170.db2.gz FDSSRMYNQRBMSU-JTQLQIEISA-N 0 3 269.291 2.798 20 30 CFEDHN CC(C)C[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000123583786 376957405 /nfs/dbraw/zinc/95/74/05/376957405.db2.gz NDIHJIWUWMIXCB-WBVHZDCISA-N 0 3 291.439 2.695 20 30 CFEDHN C=C(C)COc1cc(CNCC[C@@H](O)CC)ccc1OC ZINC000124216785 377028789 /nfs/dbraw/zinc/02/87/89/377028789.db2.gz PEZZKHQOFZDIAD-HNNXBMFYSA-N 0 3 293.407 2.901 20 30 CFEDHN Cn1ccnc1C[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000123831612 376986242 /nfs/dbraw/zinc/98/62/42/376986242.db2.gz WLKCMVXNUPWPMD-QGZVFWFLSA-N 0 3 294.402 2.746 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000124472947 377054275 /nfs/dbraw/zinc/05/42/75/377054275.db2.gz BTLKJQDSLQFQSO-UAGQMJEPSA-N 0 3 288.366 2.823 20 30 CFEDHN C=C(C)COCCNCc1ccnc2ccccc12 ZINC000125796894 377195078 /nfs/dbraw/zinc/19/50/78/377195078.db2.gz NHIWALMCTRADDT-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CC)C1 ZINC000125238055 377130504 /nfs/dbraw/zinc/13/05/04/377130504.db2.gz XAMHZBQTFZGIMV-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000125878401 377199190 /nfs/dbraw/zinc/19/91/90/377199190.db2.gz COWJHHVNSZDXHO-LBPRGKRZSA-N 0 3 288.351 2.753 20 30 CFEDHN C#CCN1CCC(C(=O)NC(C)(C)c2cccc(C)c2)CC1 ZINC000125337105 377146213 /nfs/dbraw/zinc/14/62/13/377146213.db2.gz UZXBKLYYSQGYON-UHFFFAOYSA-N 0 3 298.430 2.692 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000125559278 377170525 /nfs/dbraw/zinc/17/05/25/377170525.db2.gz WSDIXPCLXYTFQK-BBWFWOEESA-N 0 3 287.378 2.923 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC1CCCC1 ZINC000126155305 377213439 /nfs/dbraw/zinc/21/34/39/377213439.db2.gz UAINPRGQSHEDCR-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000126767994 377247903 /nfs/dbraw/zinc/24/79/03/377247903.db2.gz SPRXYNKSLZQLHS-LSDHHAIUSA-N 0 3 289.375 2.879 20 30 CFEDHN CC[C@@H](C)[C@H](O)CNC1CC(C#N)(c2ccccc2)C1 ZINC000126883926 377251832 /nfs/dbraw/zinc/25/18/32/377251832.db2.gz YVRYPWRIIIPCMA-CRYBEJKASA-N 0 3 272.392 2.607 20 30 CFEDHN CC[C@@](C)(C#N)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000126989829 377258948 /nfs/dbraw/zinc/25/89/48/377258948.db2.gz RGBNAIFTOKFWHD-WMZOPIPTSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@H](CN1CCCCC1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000125878600 377199491 /nfs/dbraw/zinc/19/94/91/377199491.db2.gz COWJHHVNSZDXHO-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CN(Cc1ccc(N(C)CCC#N)cc1)C[C@@H]1CCCO1 ZINC000128078773 377313995 /nfs/dbraw/zinc/31/39/95/377313995.db2.gz UYNPLHUXUQJMRO-KRWDZBQOSA-N 0 3 287.407 2.647 20 30 CFEDHN C=C(Cl)CNC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000127323203 377274897 /nfs/dbraw/zinc/27/48/97/377274897.db2.gz WYFPSYLWKMTHPV-UHFFFAOYSA-N 0 3 274.792 2.728 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000127357848 377277911 /nfs/dbraw/zinc/27/79/11/377277911.db2.gz QUCRSVPYHNNLHT-CABCVRRESA-N 0 3 293.455 2.714 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000128883252 377359088 /nfs/dbraw/zinc/35/90/88/377359088.db2.gz HXFMHWIHBHTNFH-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC2(C1)CCCCC2 ZINC000130009475 377500841 /nfs/dbraw/zinc/50/08/41/377500841.db2.gz HDVXMMULSQLCEA-OAHLLOKOSA-N 0 3 291.439 2.651 20 30 CFEDHN COCCN(Cc1cc(C#N)ccc1OC)CC(C)C ZINC000130430931 377557498 /nfs/dbraw/zinc/55/74/98/377557498.db2.gz NBEOEFIUBOJKBO-UHFFFAOYSA-N 0 3 276.380 2.671 20 30 CFEDHN C=CCOCCNCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000679487196 542197380 /nfs/dbraw/zinc/19/73/80/542197380.db2.gz ZTOYRCWVCGYGLC-KRWDZBQOSA-N 0 3 291.391 2.537 20 30 CFEDHN C=CCOCCN[C@H](C)c1sc(CC)nc1C ZINC000679576545 542210720 /nfs/dbraw/zinc/21/07/20/542210720.db2.gz PCKXRINYVQVHLV-SNVBAGLBSA-N 0 3 254.399 2.867 20 30 CFEDHN Cc1nccn1CCCN(C)CC#Cc1ccc(F)cc1 ZINC000130829275 377618724 /nfs/dbraw/zinc/61/87/24/377618724.db2.gz FKNVGKIQVOKJGU-UHFFFAOYSA-N 0 3 285.366 2.704 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000132271660 377821153 /nfs/dbraw/zinc/82/11/53/377821153.db2.gz XAQJVHNNVZYUCU-LLVKDONJSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCCN(CCC)CC(=O)Nc1ccccc1OC ZINC000132344408 377830144 /nfs/dbraw/zinc/83/01/44/377830144.db2.gz PTZAVWGPHGKYJR-UHFFFAOYSA-N 0 3 276.380 2.922 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)C[C@H]1CSCCN1 ZINC000132926807 377888554 /nfs/dbraw/zinc/88/85/54/377888554.db2.gz XLIFUVYWXKBYRY-HNNXBMFYSA-N 0 3 296.480 2.676 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133844675 377963610 /nfs/dbraw/zinc/96/36/10/377963610.db2.gz MFFKISPSGPNIMH-IAGOWNOFSA-N 0 3 299.418 2.674 20 30 CFEDHN C=CCCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134869811 378056833 /nfs/dbraw/zinc/05/68/33/378056833.db2.gz MWTLKUJMEMQEAL-GDBMZVCRSA-N 0 3 272.392 2.732 20 30 CFEDHN C=CCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134869776 378056958 /nfs/dbraw/zinc/05/69/58/378056958.db2.gz MWTLKUJMEMQEAL-ZBFHGGJFSA-N 0 3 272.392 2.732 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCC(C)(C)N(C)C)c1 ZINC000134869660 378057028 /nfs/dbraw/zinc/05/70/28/378057028.db2.gz BBYYOFYBDNECAB-UHFFFAOYSA-N 0 3 259.353 2.513 20 30 CFEDHN CN(C)CCOc1cc(CNc2ccc(C#N)cc2)ccn1 ZINC000135375384 378125248 /nfs/dbraw/zinc/12/52/48/378125248.db2.gz IROCDQUYPSJJEZ-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN COc1ccc(CN(C)CCC2CCOCC2)cc1C#N ZINC000135145729 378091285 /nfs/dbraw/zinc/09/12/85/378091285.db2.gz PUKCVJYJVDWZBQ-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN COc1ccc(CN2CCC[C@@H]2CSC)cc1C#N ZINC000135163347 378094457 /nfs/dbraw/zinc/09/44/57/378094457.db2.gz WDLLPWYMMDKIJK-CQSZACIVSA-N 0 3 276.405 2.894 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000150891289 378278579 /nfs/dbraw/zinc/27/85/79/378278579.db2.gz RAMBQYBHEONJDM-INIZCTEOSA-N 0 3 279.428 2.719 20 30 CFEDHN C[C@H](N[C@H]1CCC(=O)NC12CCC2)C(=O)NC1CCCC1 ZINC000328695632 378416958 /nfs/dbraw/zinc/41/69/58/378416958.db2.gz KMUROFDZNHTGCU-AAEUAGOBSA-N 0 3 293.411 2.905 20 30 CFEDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@@H]1CC[C@H](C#N)C1 ZINC000328964396 378444876 /nfs/dbraw/zinc/44/48/76/378444876.db2.gz RSRGSTGJSOAHOP-FQLMCAECSA-N 0 3 288.395 2.576 20 30 CFEDHN Cc1nc[nH]c1CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000328782017 378423911 /nfs/dbraw/zinc/42/39/11/378423911.db2.gz MZMATAYJYMDBCF-OAHLLOKOSA-N 0 3 290.411 2.972 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)C1 ZINC000328826391 378428684 /nfs/dbraw/zinc/42/86/84/378428684.db2.gz JHMYBXPROSEODM-MRVWCRGKSA-N 0 3 285.395 2.554 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CC(C)C ZINC000153758216 378509686 /nfs/dbraw/zinc/50/96/86/378509686.db2.gz CDIQBUNNNVHHKC-AWEZNQCLSA-N 0 3 252.402 2.553 20 30 CFEDHN C[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)c1ncon1 ZINC000329901048 378510798 /nfs/dbraw/zinc/51/07/98/378510798.db2.gz GONSXUIBKXXELE-WCQYABFASA-N 0 3 292.383 2.884 20 30 CFEDHN CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329897014 378511512 /nfs/dbraw/zinc/51/15/12/378511512.db2.gz CVHXROIZSPRBSQ-LLVKDONJSA-N 0 3 297.424 2.521 20 30 CFEDHN CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329897014 378511519 /nfs/dbraw/zinc/51/15/19/378511519.db2.gz CVHXROIZSPRBSQ-LLVKDONJSA-N 0 3 297.424 2.521 20 30 CFEDHN CN(Cc1cc(C(C)(C)C)[nH]n1)[C@@H]1CC[C@H](C#N)C1 ZINC000330460063 378562262 /nfs/dbraw/zinc/56/22/62/378562262.db2.gz QOPXBWCIVDKJKN-WCQYABFASA-N 0 3 260.385 2.831 20 30 CFEDHN CC#CCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000154646535 378586114 /nfs/dbraw/zinc/58/61/14/378586114.db2.gz ZXKSJFSJNYYECL-OAHLLOKOSA-N 0 3 280.375 2.674 20 30 CFEDHN CC[C@]1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000330999594 378611687 /nfs/dbraw/zinc/61/16/87/378611687.db2.gz PTQPWBSBXKNWDL-SJLPKXTDSA-N 0 3 295.386 2.889 20 30 CFEDHN CCOc1nccc(C)c1C(=O)N[C@H]1CCCN(CC)C1 ZINC000331214136 378650797 /nfs/dbraw/zinc/65/07/97/378650797.db2.gz MQDPKYJLMCIUBI-ZDUSSCGKSA-N 0 3 291.395 2.578 20 30 CFEDHN C[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1ccc(C#N)cc1F ZINC000332650418 378784478 /nfs/dbraw/zinc/78/44/78/378784478.db2.gz IFRTVUXJURCYOA-ZWNOBZJWSA-N 0 3 284.338 2.629 20 30 CFEDHN COc1ccc2c(c1)C[C@H](C)N(C(=O)C(C)C#N)[C@H]2C ZINC000332679757 378787717 /nfs/dbraw/zinc/78/77/17/378787717.db2.gz LVOHPXJWAXZRHP-SRVKXCTJSA-N 0 3 272.348 2.689 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)C(C)(C)C)cc1OC ZINC000278571061 194049030 /nfs/dbraw/zinc/04/90/30/194049030.db2.gz CCCKOSCFQNHYOF-INIZCTEOSA-N 0 3 293.407 2.757 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000163870358 378994277 /nfs/dbraw/zinc/99/42/77/378994277.db2.gz WIISPDNPXUIXDY-KBPBESRZSA-N 0 3 283.375 2.844 20 30 CFEDHN CC[C@@H](NCc1c[nH]nc1C)c1ccc(C#N)cc1 ZINC000278631407 194077346 /nfs/dbraw/zinc/07/73/46/194077346.db2.gz GWYIUDALTXZSFW-OAHLLOKOSA-N 0 3 254.337 2.831 20 30 CFEDHN C=CCNC(=O)CN[C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000278728227 194125559 /nfs/dbraw/zinc/12/55/59/194125559.db2.gz MNFSGAKPXPFRDW-CVEARBPZSA-N 0 3 272.392 2.763 20 30 CFEDHN C[C@H](CCc1ccc2c(c1)OCO2)NCC(C)(C)C#N ZINC000169279893 379105240 /nfs/dbraw/zinc/10/52/40/379105240.db2.gz YASQPGAWENSHRG-GFCCVEGCSA-N 0 3 274.364 2.876 20 30 CFEDHN CCN(CC)C(=O)[C@@H](NCCCCC#N)c1ccccc1 ZINC000171034595 379215728 /nfs/dbraw/zinc/21/57/28/379215728.db2.gz VNCZZKIUEQIRGU-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000171550155 379334270 /nfs/dbraw/zinc/33/42/70/379334270.db2.gz DRXGBNCJLOFIFM-CQSZACIVSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](CC)c2ccccc2)CC1 ZINC000171720551 379385617 /nfs/dbraw/zinc/38/56/17/379385617.db2.gz SQJAFWMSFVIZSW-QGZVFWFLSA-N 0 3 286.419 2.947 20 30 CFEDHN Cc1cc(CN2CCC(n3ccnc3)CC2)ccc1C#N ZINC000334494103 379388430 /nfs/dbraw/zinc/38/84/30/379388430.db2.gz ZHMJOYXTMITKGS-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1cccc(C#N)c1 ZINC000171734389 379390320 /nfs/dbraw/zinc/39/03/20/379390320.db2.gz CSAKXCNTAWTUTB-GFCCVEGCSA-N 0 3 274.364 2.768 20 30 CFEDHN C=CCSCCNCC1=Cc2ccccc2OC1 ZINC000171766192 379396882 /nfs/dbraw/zinc/39/68/82/379396882.db2.gz YHZQAWKEYSXLEX-UHFFFAOYSA-N 0 3 261.390 2.971 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C#N)cs1 ZINC000571910105 383738757 /nfs/dbraw/zinc/73/87/57/383738757.db2.gz WZXFYAOBNMKVLL-CYBMUJFWSA-N 0 3 291.420 2.566 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000335659739 379675786 /nfs/dbraw/zinc/67/57/86/379675786.db2.gz QTWIRXJVIYKQKQ-JSGCOSHPSA-N 0 3 262.378 2.621 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000335659741 379675881 /nfs/dbraw/zinc/67/58/81/379675881.db2.gz QTWIRXJVIYKQKQ-OCCSQVGLSA-N 0 3 262.378 2.621 20 30 CFEDHN N#CC1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)CC1 ZINC000334659314 379724171 /nfs/dbraw/zinc/72/41/71/379724171.db2.gz XFBKHXQOZSPAGT-INIZCTEOSA-N 0 3 289.423 2.546 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)C2CCCCC2)CC1 ZINC000173199575 379710066 /nfs/dbraw/zinc/71/00/66/379710066.db2.gz QFCAXZKXPFKWEU-CQSZACIVSA-N 0 3 293.455 2.905 20 30 CFEDHN C[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(C#N)cc1 ZINC000173860458 379790032 /nfs/dbraw/zinc/79/00/32/379790032.db2.gz KGWPLUROYXHSTN-GFCCVEGCSA-N 0 3 294.358 2.900 20 30 CFEDHN COc1ccc(CN[C@@H]2COc3ccccc3C2)cc1C#N ZINC000174319621 379863932 /nfs/dbraw/zinc/86/39/32/379863932.db2.gz MLGVXBLXDQOHEN-INIZCTEOSA-N 0 3 294.354 2.660 20 30 CFEDHN COc1cc(CN2CCS[C@@H](C)CC2)ccc1C#N ZINC000335774013 379867134 /nfs/dbraw/zinc/86/71/34/379867134.db2.gz QGZJFPMSAKAPNS-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN COc1ccc(CCNCc2ccc(C#N)o2)cc1F ZINC000174344734 379867805 /nfs/dbraw/zinc/86/78/05/379867805.db2.gz ZOTJWDWDCKWJJZ-UHFFFAOYSA-N 0 3 274.295 2.631 20 30 CFEDHN CC#CCN1CCC2(CC1)OCCc1ccccc12 ZINC000334785846 379922132 /nfs/dbraw/zinc/92/21/32/379922132.db2.gz DMWDAOCYGULPKF-UHFFFAOYSA-N 0 3 255.361 2.574 20 30 CFEDHN N#Cc1ccc(NC(=O)C23CCCN2CCC3)cc1Cl ZINC000335808475 379924080 /nfs/dbraw/zinc/92/40/80/379924080.db2.gz YCMUBFMOHBFDJO-UHFFFAOYSA-N 0 3 289.766 2.779 20 30 CFEDHN N#Cc1cnc2ccccc2c1N1CCCN(C2CC2)CC1 ZINC000174708931 379930229 /nfs/dbraw/zinc/93/02/29/379930229.db2.gz SLVUWQQJSVDRTI-UHFFFAOYSA-N 0 3 292.386 2.781 20 30 CFEDHN C[C@H](NCCNC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000174430663 379883931 /nfs/dbraw/zinc/88/39/31/379883931.db2.gz KQXZAZJPEKGLFC-LBPRGKRZSA-N 0 3 289.379 2.734 20 30 CFEDHN Cc1cc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)ccc1C#N ZINC000335838253 379971192 /nfs/dbraw/zinc/97/11/92/379971192.db2.gz VQJRMQNUDPWKNQ-YWVIFJGQSA-N 0 3 258.365 2.600 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000335839821 379974340 /nfs/dbraw/zinc/97/43/40/379974340.db2.gz AOCVOBWFEMACFE-BBRMVZONSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000335048601 379962400 /nfs/dbraw/zinc/96/24/00/379962400.db2.gz DJFXYZQMKGTZGO-LLVKDONJSA-N 0 3 292.329 2.906 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)cc1 ZINC000335154356 379983999 /nfs/dbraw/zinc/98/39/99/379983999.db2.gz AUUFCPAOGLVZTG-BXUZGUMPSA-N 0 3 258.321 2.518 20 30 CFEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C#N)cc1F ZINC000335202056 380000194 /nfs/dbraw/zinc/00/01/94/380000194.db2.gz PXBCLEMYHLLVFN-RNCFNFMXSA-N 0 3 250.342 2.538 20 30 CFEDHN C=CCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175370782 380052562 /nfs/dbraw/zinc/05/25/62/380052562.db2.gz CKGVCAUNEFCYPY-YVEFUNNKSA-N 0 3 251.395 2.993 20 30 CFEDHN Cn1cc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)cc1C#N ZINC000335234287 380055204 /nfs/dbraw/zinc/05/52/04/380055204.db2.gz QPPUEKHVIWSBAO-KRWDZBQOSA-N 0 3 299.418 2.678 20 30 CFEDHN N#Cc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000335249409 380080816 /nfs/dbraw/zinc/08/08/16/380080816.db2.gz PTMADJSNXUIOSD-ROUUACIJSA-N 0 3 278.355 2.866 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000335914300 380100234 /nfs/dbraw/zinc/10/02/34/380100234.db2.gz KTDBXAWEROXMHP-FZMZJTMJSA-N 0 3 286.379 2.651 20 30 CFEDHN N#Cc1ccc(CNCC2(CCO)CCCCC2)o1 ZINC000175801293 380133199 /nfs/dbraw/zinc/13/31/99/380133199.db2.gz DATJUKXJEMNMTJ-UHFFFAOYSA-N 0 3 262.353 2.574 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)N1CCC[C@H](C)C1 ZINC000177685311 380368009 /nfs/dbraw/zinc/36/80/09/380368009.db2.gz XNRABOCRWPHVIT-STQMWFEESA-N 0 3 277.437 2.830 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000336531975 380424987 /nfs/dbraw/zinc/42/49/87/380424987.db2.gz RMBRVJPWVQTNOT-GOEBONIOSA-N 0 3 288.366 2.946 20 30 CFEDHN N#Cc1ccc(F)c(CN2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000336551202 380456154 /nfs/dbraw/zinc/45/61/54/380456154.db2.gz NLIKJDHOSOFNJV-LSDHHAIUSA-N 0 3 288.366 2.946 20 30 CFEDHN N#CCCCCNCc1ccc(Br)o1 ZINC000178903125 380493797 /nfs/dbraw/zinc/49/37/97/380493797.db2.gz PILYTSSFXSYMPV-UHFFFAOYSA-N 0 3 257.131 2.826 20 30 CFEDHN COc1ccc2c(c1)CCN(Cc1ccc(C#N)o1)CC2 ZINC000336567506 380478540 /nfs/dbraw/zinc/47/85/40/380478540.db2.gz SPJWJMHMGGADCA-UHFFFAOYSA-N 0 3 282.343 2.761 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000180420938 380654815 /nfs/dbraw/zinc/65/48/15/380654815.db2.gz PZMJGVFQMNSRPI-ZDUSSCGKSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000181087143 380736987 /nfs/dbraw/zinc/73/69/87/380736987.db2.gz ZWYFAVBMHMPZEM-LSDHHAIUSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@H]1CCC[C@H](CCNCc2cnc3c(C#N)cnn3c2)C1 ZINC000572037787 383749935 /nfs/dbraw/zinc/74/99/35/383749935.db2.gz IABRMCOWWFUUHU-UONOGXRCSA-N 0 3 297.406 2.907 20 30 CFEDHN N#Cc1cccc(C(=O)NC[C@H]2CCN2C2CCCCC2)c1 ZINC000529720189 383750115 /nfs/dbraw/zinc/75/01/15/383750115.db2.gz WDDFJWTYCGMMRJ-QGZVFWFLSA-N 0 3 297.402 2.695 20 30 CFEDHN CC(C)(C)[C@H](CCO)NCc1ccc(C#N)cc1F ZINC000181458460 380797206 /nfs/dbraw/zinc/79/72/06/380797206.db2.gz XCYGXKXWVWIKHX-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN COC[C@@H](NCCOc1cccc(C#N)c1)c1ccccc1 ZINC000181700238 380867062 /nfs/dbraw/zinc/86/70/62/380867062.db2.gz SQAOHZAEAAAJAH-GOSISDBHSA-N 0 3 296.370 2.914 20 30 CFEDHN C[S@](=O)Cc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000353814363 380870872 /nfs/dbraw/zinc/87/08/72/380870872.db2.gz ZTCWJKCHHXRATG-YRNRMSPPSA-N 0 3 290.432 2.737 20 30 CFEDHN CCCN(C)CC(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000346977128 380838025 /nfs/dbraw/zinc/83/80/25/380838025.db2.gz IAKGYMRWPHUARY-AWEZNQCLSA-N 0 3 287.407 2.810 20 30 CFEDHN CCCN(C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000346981791 380843926 /nfs/dbraw/zinc/84/39/26/380843926.db2.gz WRWKYNYMBVSTAH-UHFFFAOYSA-N 0 3 287.407 2.637 20 30 CFEDHN C=CCC[C@H](C)NCc1ccncc1OC[C@H]1CCOC1 ZINC000287522460 380854974 /nfs/dbraw/zinc/85/49/74/380854974.db2.gz ZUELSIUKBBBTMO-GJZGRUSLSA-N 0 3 290.407 2.941 20 30 CFEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC000181659803 380856326 /nfs/dbraw/zinc/85/63/26/380856326.db2.gz WHSYPNWIAUKCQS-CYBMUJFWSA-N 0 3 294.358 2.633 20 30 CFEDHN CCC[C@@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000181762348 380888332 /nfs/dbraw/zinc/88/83/32/380888332.db2.gz ZGAAOHJELNTOMM-MRXNPFEDSA-N 0 3 287.407 2.880 20 30 CFEDHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cccc(C#N)c1 ZINC000181764967 380890512 /nfs/dbraw/zinc/89/05/12/380890512.db2.gz UZNFKDJOESEXEP-CWTRNNRKSA-N 0 3 278.421 2.756 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000295500889 380897617 /nfs/dbraw/zinc/89/76/17/380897617.db2.gz SMRASCHHQPDBBU-QWHCGFSZSA-N 0 3 272.392 2.905 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1ccc(C#N)c(F)c1)OC ZINC000404118811 380900035 /nfs/dbraw/zinc/90/00/35/380900035.db2.gz MUWABKYSOFMMEE-ABAIWWIYSA-N 0 3 264.344 2.848 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404166311 380901790 /nfs/dbraw/zinc/90/17/90/380901790.db2.gz STRKGNTVRHEKMG-DOMZBBRYSA-N 0 3 276.355 2.823 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358566830 380931174 /nfs/dbraw/zinc/93/11/74/380931174.db2.gz CDTOXBBPQVAULP-SGMGOOAPSA-N 0 3 287.382 2.973 20 30 CFEDHN C[C@H](NC[C@]1(C)CCOC1)c1ccc(C#N)cc1F ZINC000358564093 380931576 /nfs/dbraw/zinc/93/15/76/380931576.db2.gz WUGTWXWTVNOHRR-NHYWBVRUSA-N 0 3 262.328 2.775 20 30 CFEDHN C=C(C)COCCNCc1c(C2CC2)nc2sccn12 ZINC000181866520 380922333 /nfs/dbraw/zinc/92/23/33/380922333.db2.gz AGAQNSKXDIULAW-UHFFFAOYSA-N 0 3 291.420 2.956 20 30 CFEDHN C[C@@H](NCCCO[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566096 380932186 /nfs/dbraw/zinc/93/21/86/380932186.db2.gz IDJRRWKAWICTMX-OCCSQVGLSA-N 0 3 292.354 2.544 20 30 CFEDHN CCC[C@H](O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358591392 380953378 /nfs/dbraw/zinc/95/33/78/380953378.db2.gz OYBXKOOTBHRDQV-JQWIXIFHSA-N 0 3 250.317 2.509 20 30 CFEDHN CC#CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000353922216 380958621 /nfs/dbraw/zinc/95/86/21/380958621.db2.gz CMDIAXXWMNDDRG-UHFFFAOYSA-N 0 3 284.359 2.638 20 30 CFEDHN CCn1cc(CN[C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000353953548 380983085 /nfs/dbraw/zinc/98/30/85/380983085.db2.gz FUJHTUIKCKIHTQ-QGZVFWFLSA-N 0 3 280.375 2.942 20 30 CFEDHN C[C@H](NCCCO[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566084 380932531 /nfs/dbraw/zinc/93/25/31/380932531.db2.gz IDJRRWKAWICTMX-GXTWGEPZSA-N 0 3 292.354 2.544 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000358567012 380932853 /nfs/dbraw/zinc/93/28/53/380932853.db2.gz ISYHPDGKLBLKJG-FIXISWKDSA-N 0 3 262.328 2.915 20 30 CFEDHN CCN1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358567073 380934958 /nfs/dbraw/zinc/93/49/58/380934958.db2.gz JAIRQAIAKKESJQ-OCCSQVGLSA-N 0 3 275.371 2.832 20 30 CFEDHN C[C@@H](NC1CCC(O)CC1)c1ccc(C#N)cc1F ZINC000358570024 380936859 /nfs/dbraw/zinc/93/68/59/380936859.db2.gz NDVIIGDFSSNNFQ-QFWMXSHPSA-N 0 3 262.328 2.651 20 30 CFEDHN COC[C@H](N[C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358575472 380941549 /nfs/dbraw/zinc/94/15/49/380941549.db2.gz SUMCMDTVYUSNIB-BMIGLBTASA-N 0 3 262.328 2.773 20 30 CFEDHN CCC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358583215 380947726 /nfs/dbraw/zinc/94/77/26/380947726.db2.gz GEEVUUNOCRVCSO-XHDPSFHLSA-N 0 3 264.344 2.899 20 30 CFEDHN CCN(CCC(=O)OC)CCC1(C#N)CCCCC1 ZINC000411228459 381019086 /nfs/dbraw/zinc/01/90/86/381019086.db2.gz VWGSZULQZDTNMW-UHFFFAOYSA-N 0 3 266.385 2.736 20 30 CFEDHN C=CCCCN(C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411281764 381021324 /nfs/dbraw/zinc/02/13/24/381021324.db2.gz BDTIXMLCKIXYMN-OAHLLOKOSA-N 0 3 276.355 2.829 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000411347784 381023537 /nfs/dbraw/zinc/02/35/37/381023537.db2.gz GIQBOMJOIUHXGI-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN COCc1ccc(CNCCc2cccc(C#N)c2)o1 ZINC000341460704 381026394 /nfs/dbraw/zinc/02/63/94/381026394.db2.gz MTPIEDSEFWGHEB-UHFFFAOYSA-N 0 3 270.332 2.630 20 30 CFEDHN N#CC1(CCN2CC[C@@H](N3CCCC3=O)C2)CCCCC1 ZINC000411420615 381026998 /nfs/dbraw/zinc/02/69/98/381026998.db2.gz JUVSCGCYTZSVPD-OAHLLOKOSA-N 0 3 289.423 2.547 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CC(=O)N(C)C)CC1 ZINC000182222186 381027811 /nfs/dbraw/zinc/02/78/11/381027811.db2.gz YKMKSZYZFOFXSI-CQSZACIVSA-N 0 3 299.418 2.810 20 30 CFEDHN C=CCN(C[C@@H](O)COc1ccc(SC)cc1)C1CC1 ZINC000411438533 381028742 /nfs/dbraw/zinc/02/87/42/381028742.db2.gz CIGAUZJDYUTWSS-CQSZACIVSA-N 0 3 293.432 2.799 20 30 CFEDHN CC[C@@H](NCc1cc(C#N)ccc1OC)[C@H]1CCCO1 ZINC000182356224 381074323 /nfs/dbraw/zinc/07/43/23/381074323.db2.gz MMHGUIGVLVKTNW-GDBMZVCRSA-N 0 3 274.364 2.614 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000411552081 381032436 /nfs/dbraw/zinc/03/24/36/381032436.db2.gz NEQKJABOTLCULY-QWHCGFSZSA-N 0 3 266.385 2.732 20 30 CFEDHN C=CCC[C@@H](CC)N[C@@H](c1nncn1C)C(C)C ZINC000289357189 381033326 /nfs/dbraw/zinc/03/33/26/381033326.db2.gz JWGSBCXXOWAWOW-CHWSQXEVSA-N 0 3 250.390 2.847 20 30 CFEDHN C=CCN(CC=C)[C@@H](CN[C@H]1CCn2ccnc21)C(C)C ZINC000295816885 381095646 /nfs/dbraw/zinc/09/56/46/381095646.db2.gz DCYDJQHVPYHHSO-HOTGVXAUSA-N 0 3 288.439 2.616 20 30 CFEDHN C=C(CC)CN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000358811342 381099592 /nfs/dbraw/zinc/09/95/92/381099592.db2.gz AUKWNHXSYBXQBG-UHFFFAOYSA-N 0 3 264.413 2.820 20 30 CFEDHN C=CC[C@H](C)[C@H](C)N[C@H](c1nncn1C)C(C)C ZINC000289683027 381100261 /nfs/dbraw/zinc/10/02/61/381100261.db2.gz ZTDWHPWQHMCNKC-AVGNSLFASA-N 0 3 250.390 2.703 20 30 CFEDHN C[C@H]1CN(CCOc2cccc(C#N)c2)CCC1(F)F ZINC000289681101 381100419 /nfs/dbraw/zinc/10/04/19/381100419.db2.gz GKQKCLFNUBNQMI-LBPRGKRZSA-N 0 3 280.318 2.914 20 30 CFEDHN N#Cc1ccccc1N1CCN(CC[C@H]2CCCCO2)CC1 ZINC000347390421 381117337 /nfs/dbraw/zinc/11/73/37/381117337.db2.gz HMURDJWUZXCKFL-QGZVFWFLSA-N 0 3 299.418 2.639 20 30 CFEDHN C#C[C@H](NCc1ccc(N(C)C(C)C)nc1)C(C)C ZINC000289633064 381077270 /nfs/dbraw/zinc/07/72/70/381077270.db2.gz XBQZWWMYTXNVOD-HNNXBMFYSA-N 0 3 259.397 2.674 20 30 CFEDHN CCCCN(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412113390 381167451 /nfs/dbraw/zinc/16/74/51/381167451.db2.gz WZHYSHRLKAVWSY-DLBZAZTESA-N 0 3 299.418 2.510 20 30 CFEDHN C=C[C@@H](CO)N[C@@H]1CCc2c1cccc2Br ZINC000289787343 381156982 /nfs/dbraw/zinc/15/69/82/381156982.db2.gz NATYYDVYONFIKU-TVQRCGJNSA-N 0 3 282.181 2.573 20 30 CFEDHN CC1(C)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182816378 381165306 /nfs/dbraw/zinc/16/53/06/381165306.db2.gz IYRNYBGQCZXVSK-MRXNPFEDSA-N 0 3 297.402 2.786 20 30 CFEDHN C#Cc1ccc(CN[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000289803951 381166262 /nfs/dbraw/zinc/16/62/62/381166262.db2.gz SMMWSMWIGKJAKC-CYBMUJFWSA-N 0 3 288.391 2.671 20 30 CFEDHN CC#CCCNCc1c(C2CC2)nc2sccn12 ZINC000354181797 381125479 /nfs/dbraw/zinc/12/54/79/381125479.db2.gz XEAWUXQWWHOOHH-UHFFFAOYSA-N 0 3 259.378 2.776 20 30 CFEDHN C#CC(C)(C)N(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000279355975 194397891 /nfs/dbraw/zinc/39/78/91/194397891.db2.gz VWDMNNIURGVHAT-UHFFFAOYSA-N 0 3 297.402 2.843 20 30 CFEDHN CC(C)(C#N)CCCCN1CCS[C@@H]2COCC[C@H]21 ZINC000369001378 381176772 /nfs/dbraw/zinc/17/67/72/381176772.db2.gz LNQWHNYWXHYNEP-ZIAGYGMSSA-N 0 3 282.453 2.913 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000369025836 381181655 /nfs/dbraw/zinc/18/16/55/381181655.db2.gz GGUUPKNBZKZZMJ-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C[C@H](CO)N[C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000289846469 381185660 /nfs/dbraw/zinc/18/56/60/381185660.db2.gz QEPMWDUVGUVXFN-NEPJUHHUSA-N 0 3 296.392 2.602 20 30 CFEDHN C=C[C@@H](CO)NCc1cccc(OC2CCCC2)c1 ZINC000289865180 381193715 /nfs/dbraw/zinc/19/37/15/381193715.db2.gz ORLSDEQGWWHNCT-AWEZNQCLSA-N 0 3 261.365 2.645 20 30 CFEDHN COC[C@@H](NCCCSCC#N)c1ccc(F)cc1 ZINC000342308647 381266317 /nfs/dbraw/zinc/26/63/17/381266317.db2.gz GYNNXEJLLUBJIF-CQSZACIVSA-N 0 3 282.384 2.750 20 30 CFEDHN N#Cc1ccc(OCCN2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000369464254 381266923 /nfs/dbraw/zinc/26/69/23/381266923.db2.gz DSEQZNFZUMQDEW-DLBZAZTESA-N 0 3 286.375 2.580 20 30 CFEDHN CCC1(NCC(=O)Nc2sccc2C#N)CCCC1 ZINC000296034019 381221825 /nfs/dbraw/zinc/22/18/25/381221825.db2.gz AAJBFSQZPTXNPH-UHFFFAOYSA-N 0 3 277.393 2.871 20 30 CFEDHN N#CCSCCCNC1(c2ccc3c(c2)OCO3)CC1 ZINC000342216155 381221792 /nfs/dbraw/zinc/22/17/92/381221792.db2.gz CHRCWSLCLQTPEY-UHFFFAOYSA-N 0 3 290.388 2.641 20 30 CFEDHN COCc1cnc(CNCC(C)(C)CCC#N)s1 ZINC000342309095 381268743 /nfs/dbraw/zinc/26/87/43/381268743.db2.gz SYRVSKLCWPUPCQ-UHFFFAOYSA-N 0 3 267.398 2.709 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(C#N)cc1 ZINC000369328210 381236543 /nfs/dbraw/zinc/23/65/43/381236543.db2.gz ZPWYQKWVQCMRLW-NKKGCODLSA-N 0 3 297.402 2.608 20 30 CFEDHN C#Cc1ccc(CN2CCC(CC)(CO)CC2)cc1 ZINC000289982423 381247567 /nfs/dbraw/zinc/24/75/67/381247567.db2.gz JUBZTGLSZVCQJJ-UHFFFAOYSA-N 0 3 257.377 2.652 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296217116 381304849 /nfs/dbraw/zinc/30/48/49/381304849.db2.gz KAIIZYBODAQONT-HUUCEWRRSA-N 0 3 283.799 2.632 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(C)C#N ZINC000342455413 381340406 /nfs/dbraw/zinc/34/04/06/381340406.db2.gz CUDQONPXURNTRR-ZDUSSCGKSA-N 0 3 274.368 2.528 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@@H](CC4CC4)C3)n2c1 ZINC000354523497 381320021 /nfs/dbraw/zinc/32/00/21/381320021.db2.gz CMVDEVGRYIARQP-AWEZNQCLSA-N 0 3 280.375 2.828 20 30 CFEDHN N#CC(C(=O)c1ccccc1-n1cccn1)c1ccccn1 ZINC000049457457 412944407 /nfs/dbraw/zinc/94/44/07/412944407.db2.gz HMWPSYRGPBBKAF-AWEZNQCLSA-N 0 3 288.310 2.757 20 30 CFEDHN C#C[C@H](NCc1ccc(OC)c(C#N)c1)C(C)(C)C ZINC000290225203 381349153 /nfs/dbraw/zinc/34/91/53/381349153.db2.gz SEPVIPIBYMARGR-HNNXBMFYSA-N 0 3 256.349 2.704 20 30 CFEDHN C#C[C@H](NCc1ccccc1NC(C)=O)C(C)(C)C ZINC000290283201 381369859 /nfs/dbraw/zinc/36/98/59/381369859.db2.gz ZIYIPHZCHDRIRV-HNNXBMFYSA-N 0 3 258.365 2.783 20 30 CFEDHN CC(C)C[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000354692750 381404264 /nfs/dbraw/zinc/40/42/64/381404264.db2.gz XENCYPQZCXLXNJ-QGZVFWFLSA-N 0 3 299.418 2.685 20 30 CFEDHN Cc1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1C#N ZINC000370246382 381411605 /nfs/dbraw/zinc/41/16/05/381411605.db2.gz FHRZNSMMEMWSOP-QGZVFWFLSA-N 0 3 297.402 2.567 20 30 CFEDHN C=CCN(CCc1ccccc1)Cc1[nH]ncc1C ZINC000290398040 381411988 /nfs/dbraw/zinc/41/19/88/381411988.db2.gz KDCVFSAIEIAOKG-UHFFFAOYSA-N 0 3 255.365 2.949 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@H](COC)C1 ZINC000342581198 381412690 /nfs/dbraw/zinc/41/26/90/381412690.db2.gz ISBLTSWQHGYVSP-HOTGVXAUSA-N 0 3 296.455 2.548 20 30 CFEDHN CCN(Cc1ccc(C(=O)NCCCC#N)cc1)C1CC1 ZINC000342618409 381437225 /nfs/dbraw/zinc/43/72/25/381437225.db2.gz LTDNDAYGCMBHFE-UHFFFAOYSA-N 0 3 285.391 2.704 20 30 CFEDHN C=CCN(CC(F)(F)F)C(=O)[C@H](CC)N(CC)CC ZINC000359561106 381471939 /nfs/dbraw/zinc/47/19/39/381471939.db2.gz MYEDMMUCPVQDKF-NSHDSACASA-N 0 3 280.334 2.684 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359566502 381475774 /nfs/dbraw/zinc/47/57/74/381475774.db2.gz VVDYNSSWWIKRQH-WBVHZDCISA-N 0 3 276.424 2.699 20 30 CFEDHN C=CCOCCCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000348051740 381455994 /nfs/dbraw/zinc/45/59/94/381455994.db2.gz MQMJHMHDEOWQPM-UHFFFAOYSA-N 0 3 291.395 2.719 20 30 CFEDHN C=C(C)CN(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348072496 381460525 /nfs/dbraw/zinc/46/05/25/381460525.db2.gz BDILSNWWIYJSIU-STQMWFEESA-N 0 3 283.416 2.563 20 30 CFEDHN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(C)C#N ZINC000348098943 381462214 /nfs/dbraw/zinc/46/22/14/381462214.db2.gz GCJTXHPSCSNQQE-ZDUSSCGKSA-N 0 3 296.374 2.772 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000348176677 381468044 /nfs/dbraw/zinc/46/80/44/381468044.db2.gz CBUPYPGGOBXJQL-AWEZNQCLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCOCCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000348191866 381470794 /nfs/dbraw/zinc/47/07/94/381470794.db2.gz FXSBDRAQINPMMZ-AWEZNQCLSA-N 0 3 294.370 2.657 20 30 CFEDHN C=CCCN(C)CC(=O)N(C(C)C)C1CCCC1 ZINC000342735623 381507073 /nfs/dbraw/zinc/50/70/73/381507073.db2.gz ICZPREQGCYFIRP-UHFFFAOYSA-N 0 3 252.402 2.674 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000342737198 381510239 /nfs/dbraw/zinc/51/02/39/381510239.db2.gz QIPDSNFOTKNERW-UONOGXRCSA-N 0 3 252.402 2.674 20 30 CFEDHN CCCn1ccnc1CCCN(C)Cc1ccc(C#N)o1 ZINC000290582053 381487044 /nfs/dbraw/zinc/48/70/44/381487044.db2.gz URWVAQNFMQMPES-UHFFFAOYSA-N 0 3 286.379 2.822 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2cccc(C#N)c2F)C1 ZINC000342703231 381487206 /nfs/dbraw/zinc/48/72/06/381487206.db2.gz POWZYAUUJDTDHD-CYBMUJFWSA-N 0 3 276.355 2.946 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000342716352 381495017 /nfs/dbraw/zinc/49/50/17/381495017.db2.gz CQCVYOKSIYLISB-UHFFFAOYSA-N 0 3 274.408 2.715 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000184924671 381497141 /nfs/dbraw/zinc/49/71/41/381497141.db2.gz BGDVBRBPZQBEPE-AWEZNQCLSA-N 0 3 274.408 2.967 20 30 CFEDHN C=CCNC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000296666593 381498857 /nfs/dbraw/zinc/49/88/57/381498857.db2.gz KLIKZYUHHRBYJA-YCPHGPKFSA-N 0 3 272.392 2.555 20 30 CFEDHN COc1ccc([C@H](CN(C)C)N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000342795005 381545491 /nfs/dbraw/zinc/54/54/91/381545491.db2.gz VKCZYVOEYZWVDO-KMFMINBZSA-N 0 3 287.407 2.580 20 30 CFEDHN CN(CCO[C@@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000185156541 381548405 /nfs/dbraw/zinc/54/84/05/381548405.db2.gz GJIHCAUQBLBNMQ-MRXNPFEDSA-N 0 3 274.364 2.533 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000370975861 381528571 /nfs/dbraw/zinc/52/85/71/381528571.db2.gz HHDKXGDJUIVSEK-GXTWGEPZSA-N 0 3 288.391 2.783 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)[C@H](CC)N(CC)CC ZINC000359714687 381574070 /nfs/dbraw/zinc/57/40/70/381574070.db2.gz BOWYIRSBKPRYGH-INIZCTEOSA-N 0 3 292.423 2.957 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000185241645 381574292 /nfs/dbraw/zinc/57/42/92/381574292.db2.gz NHLHNNUJMHCMQQ-DOTOQJQBSA-N 0 3 288.435 2.878 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000185241622 381575047 /nfs/dbraw/zinc/57/50/47/381575047.db2.gz NHLHNNUJMHCMQQ-WBVHZDCISA-N 0 3 288.435 2.878 20 30 CFEDHN N#Cc1csc(CN2CC[C@@]3(C2)CCCOC3)c1 ZINC000342844071 381580640 /nfs/dbraw/zinc/58/06/40/381580640.db2.gz XNYGUOZBGXCHSG-CQSZACIVSA-N 0 3 262.378 2.622 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810134 381558349 /nfs/dbraw/zinc/55/83/49/381558349.db2.gz OUGTXQZAHHVHDI-DYVFJYSZSA-N 0 3 281.403 2.620 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@H](C#N)C1 ZINC000414226115 381572085 /nfs/dbraw/zinc/57/20/85/381572085.db2.gz SWTLTNRUXYNLBX-JFOHDYCDSA-N 0 3 270.376 2.971 20 30 CFEDHN C#CCOc1ccc(CN2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000290936524 381603105 /nfs/dbraw/zinc/60/31/05/381603105.db2.gz PLGMUWKZXHRAID-KRWDZBQOSA-N 0 3 295.386 2.651 20 30 CFEDHN Cn1cc(CNCc2cnc3ccccc3c2)cc1C#N ZINC000359739132 381588036 /nfs/dbraw/zinc/58/80/36/381588036.db2.gz KBQJCSYFAVBWEX-UHFFFAOYSA-N 0 3 276.343 2.735 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H]2CCC[C@@H]21 ZINC000355117690 381623201 /nfs/dbraw/zinc/62/32/01/381623201.db2.gz ZIZMXFIQHXTFLS-HIFRSBDPSA-N 0 3 256.349 2.941 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cc(F)ccc1OC ZINC000291017929 381635395 /nfs/dbraw/zinc/63/53/95/381635395.db2.gz GHRQQZGQUCHJHJ-BLLLJJGKSA-N 0 3 279.355 2.905 20 30 CFEDHN N#Cc1ccnc(N2CCC[C@H]2CN2CCCC2)c1Cl ZINC000343037366 381657654 /nfs/dbraw/zinc/65/76/54/381657654.db2.gz IZJWLKPUWUYQSC-ZDUSSCGKSA-N 0 3 290.798 2.671 20 30 CFEDHN C=CCN(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077641 381657758 /nfs/dbraw/zinc/65/77/58/381657758.db2.gz GEHBZAVCJHOUQF-GFCCVEGCSA-N 0 3 259.271 2.857 20 30 CFEDHN C=CCC(CC=C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000291066932 381654000 /nfs/dbraw/zinc/65/40/00/381654000.db2.gz MBZHFEWYMSOEIF-UHFFFAOYSA-N 0 3 286.375 2.876 20 30 CFEDHN C[C@H]1CCN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000343317189 381675166 /nfs/dbraw/zinc/67/51/66/381675166.db2.gz CXOSXCRKMQWDHY-INIZCTEOSA-N 0 3 283.419 2.887 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359918605 381676998 /nfs/dbraw/zinc/67/69/98/381676998.db2.gz RRQSDVYMBCQOJF-ZDUSSCGKSA-N 0 3 296.286 2.544 20 30 CFEDHN Cc1ccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000359920449 381679103 /nfs/dbraw/zinc/67/91/03/381679103.db2.gz ZUHDHZLHWQJAPM-CYBMUJFWSA-N 0 3 296.286 2.544 20 30 CFEDHN CC[C@@H]1[C@@H](C)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000185640085 381692216 /nfs/dbraw/zinc/69/22/16/381692216.db2.gz FTLYILFETVNOCA-SWLSCSKDSA-N 0 3 271.364 2.617 20 30 CFEDHN N#CCCCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000371789915 381701786 /nfs/dbraw/zinc/70/17/86/381701786.db2.gz UYKBLAPQJQODSE-OAHLLOKOSA-N 0 3 250.386 2.961 20 30 CFEDHN CCN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000298702741 381717366 /nfs/dbraw/zinc/71/73/66/381717366.db2.gz FJZUZBNWNDFNTH-UHFFFAOYSA-N 0 3 270.789 2.564 20 30 CFEDHN C#CC(C)(C)N(C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000298661928 381703891 /nfs/dbraw/zinc/70/38/91/381703891.db2.gz YAIFZSGNBYNRGY-UHFFFAOYSA-N 0 3 288.391 2.758 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)o1)[C@H](c1ccccc1)N(C)C ZINC000185679111 381704062 /nfs/dbraw/zinc/70/40/62/381704062.db2.gz NRLRAFQFQGAMHD-CXAGYDPISA-N 0 3 283.375 2.932 20 30 CFEDHN C#CCOc1ccccc1CN1CCC([C@@H]2CCOC2)CC1 ZINC000371808962 381705533 /nfs/dbraw/zinc/70/55/33/381705533.db2.gz MBXLDOIUVAFAMK-GOSISDBHSA-N 0 3 299.414 2.947 20 30 CFEDHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000343468814 381734027 /nfs/dbraw/zinc/73/40/27/381734027.db2.gz MNDPOLRABJXMCE-GARJFASQSA-N 0 3 250.317 2.771 20 30 CFEDHN N#CCCCOc1cccc(C[NH2+]Cc2ncccc2[O-])c1 ZINC000355310880 381743391 /nfs/dbraw/zinc/74/33/91/381743391.db2.gz IHCXWZWKNUYESN-UHFFFAOYSA-N 0 3 297.358 2.760 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)C/C=C/C)cc1OC ZINC000185825099 381745412 /nfs/dbraw/zinc/74/54/12/381745412.db2.gz NASLFIJXBUWBBN-CSPWOOARSA-N 0 3 291.391 2.677 20 30 CFEDHN COC[C@H]1CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC000372096206 381749871 /nfs/dbraw/zinc/74/98/71/381749871.db2.gz RGTKBKOLJHTNLZ-AWEZNQCLSA-N 0 3 276.355 2.946 20 30 CFEDHN CCC[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000185855997 381757409 /nfs/dbraw/zinc/75/74/09/381757409.db2.gz GYAVNLUQTUNTKH-ZBFHGGJFSA-N 0 3 279.428 2.695 20 30 CFEDHN Cc1nsc(N2CCN(C3CCC3)C[C@@H](C)C2)c1C#N ZINC000292216806 381796318 /nfs/dbraw/zinc/79/63/18/381796318.db2.gz HTAGSXIUURATGM-LLVKDONJSA-N 0 3 290.436 2.634 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)[C@@H](CC)N(CC)CC ZINC000343523994 381773740 /nfs/dbraw/zinc/77/37/40/381773740.db2.gz MAFPFOSKIKUHHU-ZIAGYGMSSA-N 0 3 254.418 2.968 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000355509371 381777564 /nfs/dbraw/zinc/77/75/64/381777564.db2.gz AUPHJEDYBLAQKZ-JJRVBVJISA-N 0 3 297.402 2.589 20 30 CFEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC2(C#N)CC2)C1 ZINC000361375844 381823847 /nfs/dbraw/zinc/82/38/47/381823847.db2.gz FQPGQEQLPMVZNI-FPCVCCKLSA-N 0 3 276.424 2.942 20 30 CFEDHN C[C@@H]1[C@@H](Nc2nc3c(cc2C#N)CCCC3)CCCN1C ZINC000343603225 381832860 /nfs/dbraw/zinc/83/28/60/381832860.db2.gz RPVFSHAJTUXUKB-DOMZBBRYSA-N 0 3 284.407 2.727 20 30 CFEDHN CC#CCN1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000372557007 381835267 /nfs/dbraw/zinc/83/52/67/381835267.db2.gz LFTDMCFBRHEMIN-ZSOGYDGISA-N 0 3 278.396 2.530 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)CC(C)(C)C ZINC000361522884 381838561 /nfs/dbraw/zinc/83/85/61/381838561.db2.gz SEBPWNSAEREXLK-UHFFFAOYSA-N 0 3 252.402 2.555 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000299151065 381843441 /nfs/dbraw/zinc/84/34/41/381843441.db2.gz MNRDWAWFUJWUSZ-OAHLLOKOSA-N 0 3 284.403 2.517 20 30 CFEDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nccc(C#N)c1Cl ZINC000343616051 381843830 /nfs/dbraw/zinc/84/38/30/381843830.db2.gz UCSDGOSWXDJMNF-AAEUAGOBSA-N 0 3 290.798 2.670 20 30 CFEDHN C=C(C)CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850966 381879774 /nfs/dbraw/zinc/87/97/74/381879774.db2.gz UPQIIWRRJAMRPH-RHSMWYFYSA-N 0 3 287.407 2.952 20 30 CFEDHN C#CCN(CC)C[C@H](O)COc1ccccc1C(C)C ZINC000299160330 381848023 /nfs/dbraw/zinc/84/80/23/381848023.db2.gz KYNPHUDMEIQWMR-HNNXBMFYSA-N 0 3 275.392 2.505 20 30 CFEDHN C=CCN(CCOC)CCO[C@@H]1CCCC[C@H]1C ZINC000362050688 381886273 /nfs/dbraw/zinc/88/62/73/381886273.db2.gz SADINVVQHIGLHO-HUUCEWRRSA-N 0 3 255.402 2.716 20 30 CFEDHN C=CC(C)(C)CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415890474 381868766 /nfs/dbraw/zinc/86/87/66/381868766.db2.gz DTYCRNVUSKADSL-UHFFFAOYSA-N 0 3 273.380 2.666 20 30 CFEDHN C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415963422 381870921 /nfs/dbraw/zinc/87/09/21/381870921.db2.gz VMKVEBAJLMPQSC-SNVBAGLBSA-N 0 3 277.343 2.558 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)Nc1ccccc1CNC ZINC000415927475 381871011 /nfs/dbraw/zinc/87/10/11/381871011.db2.gz WPPIPMSIMKAIAZ-AWEZNQCLSA-N 0 3 273.380 2.978 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)Nc1cccc(CNC)c1 ZINC000415959709 381871289 /nfs/dbraw/zinc/87/12/89/381871289.db2.gz MZADJKFSSYZFBX-CYBMUJFWSA-N 0 3 261.369 2.882 20 30 CFEDHN CC(C)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186283921 381873613 /nfs/dbraw/zinc/87/36/13/381873613.db2.gz MEURDPKRMGPSRO-AWEZNQCLSA-N 0 3 257.381 2.645 20 30 CFEDHN C/C=C\C[C@H](CO)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000349358167 381906863 /nfs/dbraw/zinc/90/68/63/381906863.db2.gz VMIRUKYYYHYEQE-FFIQWJHNSA-N 0 3 262.328 2.675 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1ncccc1C#N ZINC000299302888 381889857 /nfs/dbraw/zinc/88/98/57/381889857.db2.gz BWLFDFVKUIEPFF-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C[C@H]1CCC[C@@H](CN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000357011029 381963107 /nfs/dbraw/zinc/96/31/07/381963107.db2.gz XIKBBKSUIXQVDB-JKSUJKDBSA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@@H]1CCC[C@H](CN2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000357011026 381963544 /nfs/dbraw/zinc/96/35/44/381963544.db2.gz XIKBBKSUIXQVDB-CVEARBPZSA-N 0 3 298.434 2.902 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1sccc1OC ZINC000349425738 381933051 /nfs/dbraw/zinc/93/30/51/381933051.db2.gz VMLHIKIXQAPSGM-GHMZBOCLSA-N 0 3 255.383 2.592 20 30 CFEDHN C=C(CNCc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1 ZINC000343791990 381944589 /nfs/dbraw/zinc/94/45/89/381944589.db2.gz UVHJTDPNGMFXOU-UHFFFAOYSA-N 0 3 283.375 2.520 20 30 CFEDHN CCc1cccc(CN2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000373399303 381995433 /nfs/dbraw/zinc/99/54/33/381995433.db2.gz KXDKVGHDOCNZLQ-UHFFFAOYSA-N 0 3 295.390 2.549 20 30 CFEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2ccccc2)n1 ZINC000349848276 381995891 /nfs/dbraw/zinc/99/58/91/381995891.db2.gz ADNIAEWRGAFMEP-XJKSGUPXSA-N 0 3 280.375 2.869 20 30 CFEDHN C=CCCC[C@@H](C)N1CCCN(CCC)C(=O)C1 ZINC000349954105 382001011 /nfs/dbraw/zinc/00/10/11/382001011.db2.gz HPKFBOJWVXCQSW-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C#CCCCCC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000362272613 381985757 /nfs/dbraw/zinc/98/57/57/381985757.db2.gz HJBQQTANYXGPHW-UHFFFAOYSA-N 0 3 299.418 2.702 20 30 CFEDHN CCOc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000349828805 381993869 /nfs/dbraw/zinc/99/38/69/381993869.db2.gz NOVFOWWRUMFPLC-JSGCOSHPSA-N 0 3 274.364 2.876 20 30 CFEDHN COCCCOc1cccc(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000349827295 381993897 /nfs/dbraw/zinc/99/38/97/381993897.db2.gz IOGZFFJDTJHJOM-ZBFHGGJFSA-N 0 3 288.391 2.884 20 30 CFEDHN CCCN1CCC[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000343976948 382044964 /nfs/dbraw/zinc/04/49/64/382044964.db2.gz SLOVAIXXNCQRMQ-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN C[C@H]1CC[C@H](N(CC#Cc2ccccc2)CCO)C1 ZINC000351630057 382049230 /nfs/dbraw/zinc/04/92/30/382049230.db2.gz QRFAWOPLMMBHMV-RDJZCZTQSA-N 0 3 257.377 2.521 20 30 CFEDHN C=CCCCCNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000351637332 382049501 /nfs/dbraw/zinc/04/95/01/382049501.db2.gz GLIWZXDAPGVUOT-HUUCEWRRSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000351637334 382049627 /nfs/dbraw/zinc/04/96/27/382049627.db2.gz GLIWZXDAPGVUOT-LSDHHAIUSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCCNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000351642642 382050642 /nfs/dbraw/zinc/05/06/42/382050642.db2.gz FVTYERLGNKVTTH-AWEZNQCLSA-N 0 3 269.433 2.618 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H](O)Cc1ccccc1 ZINC000293280164 382060566 /nfs/dbraw/zinc/06/05/66/382060566.db2.gz JRGHWODVEDNNMD-KRWDZBQOSA-N 0 3 298.361 2.733 20 30 CFEDHN C=CCN(CC(=O)N(C)CC1CC1)CC1CCCCC1 ZINC000351828278 382064829 /nfs/dbraw/zinc/06/48/29/382064829.db2.gz WPNBTJBOLCYHOB-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN CN1CC[C@@H]2CCN(c3ccc(Cl)cc3C#N)C[C@H]21 ZINC000375048817 382065943 /nfs/dbraw/zinc/06/59/43/382065943.db2.gz JSTLVQHUFRBIKD-IAQYHMDHSA-N 0 3 275.783 2.742 20 30 CFEDHN C=CCC1(C(=O)N2CCCN(CC(C)C)CC2)CCC1 ZINC000373623709 382023023 /nfs/dbraw/zinc/02/30/23/382023023.db2.gz GQCQMBBDEYWGMH-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CC)CC1 ZINC000343937829 382028460 /nfs/dbraw/zinc/02/84/60/382028460.db2.gz UBYGXXBSZCRVNV-HNNXBMFYSA-N 0 3 266.429 2.923 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000343965424 382039298 /nfs/dbraw/zinc/03/92/98/382039298.db2.gz OACXORWOJLBILQ-GFCCVEGCSA-N 0 3 292.814 2.623 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@@]12CCOC2 ZINC000357317245 382104000 /nfs/dbraw/zinc/10/40/00/382104000.db2.gz FRWPLCGADGCMHY-WMZOPIPTSA-N 0 3 298.386 2.540 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H]1CC=CCC1 ZINC000344069251 382107028 /nfs/dbraw/zinc/10/70/28/382107028.db2.gz QPPNVYIERWXTSO-HOTGVXAUSA-N 0 3 276.424 2.864 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc(F)cc(Cl)c1 ZINC000362517244 382117475 /nfs/dbraw/zinc/11/74/75/382117475.db2.gz XTVCPOGVNVEXFW-SNVBAGLBSA-N 0 3 257.736 2.753 20 30 CFEDHN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCOC2)O1 ZINC000376021520 382117672 /nfs/dbraw/zinc/11/76/72/382117672.db2.gz MXQNSDVOYDUNHN-GDBMZVCRSA-N 0 3 280.412 2.586 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376081556 382118904 /nfs/dbraw/zinc/11/89/04/382118904.db2.gz LZWNCMMOUPTEQH-GARJFASQSA-N 0 3 298.839 2.785 20 30 CFEDHN CCN1CCCC[C@H]1CNc1cccc(F)c1C#N ZINC000301262841 382126139 /nfs/dbraw/zinc/12/61/39/382126139.db2.gz VPHIPVOVCNJVCG-LBPRGKRZSA-N 0 3 261.344 2.984 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(NC(=O)C2CC2)CC1 ZINC000187197037 382126220 /nfs/dbraw/zinc/12/62/20/382126220.db2.gz CSMLSZPFHCLEJJ-CYBMUJFWSA-N 0 3 297.402 2.610 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H](C)CC(C)(C)C1 ZINC000344041195 382087345 /nfs/dbraw/zinc/08/73/45/382087345.db2.gz HKVHGVWJSTUEGW-VBQJREDUSA-N 0 3 293.455 2.797 20 30 CFEDHN C=CCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375705806 382098088 /nfs/dbraw/zinc/09/80/88/382098088.db2.gz QCMMVCGZBIOXSY-UHFFFAOYSA-N 0 3 266.385 2.648 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1ccc(C#N)cc1F ZINC000301171328 382098355 /nfs/dbraw/zinc/09/83/55/382098355.db2.gz XHYKZKJLBVNAPS-GFCCVEGCSA-N 0 3 261.344 2.984 20 30 CFEDHN CC#CCCN1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000375749662 382099969 /nfs/dbraw/zinc/09/99/69/382099969.db2.gz GVFQTMABYZOVET-OAHLLOKOSA-N 0 3 273.376 2.952 20 30 CFEDHN Cc1noc(CCCN(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000344109782 382134088 /nfs/dbraw/zinc/13/40/88/382134088.db2.gz JCKDRPVRTCCEDO-UHFFFAOYSA-N 0 3 296.374 2.847 20 30 CFEDHN C=CC(C)(C)CNC(=O)NC[C@H](N)c1ccccc1CC ZINC000418252863 382136520 /nfs/dbraw/zinc/13/65/20/382136520.db2.gz OXCGFPNZNDDBSO-HNNXBMFYSA-N 0 3 289.423 2.760 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccncc1-c1cccnc1 ZINC000376471012 382138099 /nfs/dbraw/zinc/13/80/99/382138099.db2.gz BBQCYKQMCRVDMP-QAPCUYQASA-N 0 3 295.386 2.959 20 30 CFEDHN C=CCC1(CNC(=O)N2CCN[C@H](C)[C@@H]2C)CCCC1 ZINC000418259819 382138949 /nfs/dbraw/zinc/13/89/49/382138949.db2.gz OWICYBJVXDZIGY-KGLIPLIRSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1ccc(F)cc1C#N ZINC000301332124 382150898 /nfs/dbraw/zinc/15/08/98/382150898.db2.gz BSFFQDLYGRMSPX-GFCCVEGCSA-N 0 3 261.344 2.984 20 30 CFEDHN N#Cc1cc(N2CC[C@H](N3CC=CC3)C2)c2ccccc2n1 ZINC000301419089 382170889 /nfs/dbraw/zinc/17/08/89/382170889.db2.gz BQBOBOSCYJAAPA-HNNXBMFYSA-N 0 3 290.370 2.557 20 30 CFEDHN CC[C@]1(C)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344214530 382203810 /nfs/dbraw/zinc/20/38/10/382203810.db2.gz IRQNBXHUPDSDFH-SJLPKXTDSA-N 0 3 297.402 2.786 20 30 CFEDHN Cc1cc(C)c2ncc(C#N)c(NCC3(N(C)C)CC3)c2c1 ZINC000419008765 382215918 /nfs/dbraw/zinc/21/59/18/382215918.db2.gz LYPUADUEWNATPA-UHFFFAOYSA-N 0 3 294.402 2.651 20 30 CFEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000345115825 382285257 /nfs/dbraw/zinc/28/52/57/382285257.db2.gz UOVMFQZSQBEIHU-ZNMIVQPWSA-N 0 3 299.418 2.719 20 30 CFEDHN C=CCCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000352233231 382239707 /nfs/dbraw/zinc/23/97/07/382239707.db2.gz BBTUHQNNJRJGOU-HNNXBMFYSA-N 0 3 258.365 2.690 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363631576 382240515 /nfs/dbraw/zinc/24/05/15/382240515.db2.gz ORTCCVFQHARNFY-KRWDZBQOSA-N 0 3 286.419 2.981 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2cccc(C)n2)CC1 ZINC000363716623 382242951 /nfs/dbraw/zinc/24/29/51/382242951.db2.gz YFSADZHRACYWMS-OAHLLOKOSA-N 0 3 290.407 2.560 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000363740437 382244657 /nfs/dbraw/zinc/24/46/57/382244657.db2.gz WAFIEUASLBHUNU-SQNIBIBYSA-N 0 3 298.430 2.899 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(Cn2ccnn2)CC1 ZINC000187716087 382255481 /nfs/dbraw/zinc/25/54/81/382255481.db2.gz JEROZLATKHCQQE-CQSZACIVSA-N 0 3 295.390 2.623 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)CCC[C@@H]1C ZINC000357713762 382291104 /nfs/dbraw/zinc/29/11/04/382291104.db2.gz FRMZQLHMOAROQE-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN COCC#CCN(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000680435781 542325054 /nfs/dbraw/zinc/32/50/54/542325054.db2.gz JAHXKAIFYPDKAY-IAGOWNOFSA-N 0 3 291.366 2.627 20 30 CFEDHN CC(C)(C#N)CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000345959808 382325334 /nfs/dbraw/zinc/32/53/34/382325334.db2.gz ZGRKUCRNXGYNTA-ZDUSSCGKSA-N 0 3 287.411 2.801 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000357808362 382332972 /nfs/dbraw/zinc/33/29/72/382332972.db2.gz URWFPNUHWPTSFO-IUCAKERBSA-N 0 3 286.253 2.922 20 30 CFEDHN CC[C@@H](CNc1c(C#N)cccc1C#N)N1CCCC1 ZINC000302852876 382333718 /nfs/dbraw/zinc/33/37/18/382333718.db2.gz QLGZVPBEXLRNHZ-HNNXBMFYSA-N 0 3 268.364 2.716 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000357822703 382339374 /nfs/dbraw/zinc/33/93/74/382339374.db2.gz USXLAYKEJILZQT-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346271645 382339988 /nfs/dbraw/zinc/33/99/88/382339988.db2.gz GVMUZTBZCQVQGI-LSDHHAIUSA-N 0 3 291.439 2.695 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)NCCN1CCCC[C@@H]1CC ZINC000352457268 382342724 /nfs/dbraw/zinc/34/27/24/382342724.db2.gz VNZVPKMKRBRGRU-RDJZCZTQSA-N 0 3 296.455 2.596 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000377853111 382359668 /nfs/dbraw/zinc/35/96/68/382359668.db2.gz XEBFGIVLEDFRKP-QGZVFWFLSA-N 0 3 288.391 2.551 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@@H](C)c1ccccc1C ZINC000293971119 382360586 /nfs/dbraw/zinc/36/05/86/382360586.db2.gz MAADLSFUHXIHKT-MRXNPFEDSA-N 0 3 286.419 2.560 20 30 CFEDHN C=CCOCCNC/C=C/c1ccc(F)cc1F ZINC000680477018 542329618 /nfs/dbraw/zinc/32/96/18/542329618.db2.gz NZVUVGXNDFUEOR-ONEGZZNKSA-N 0 3 253.292 2.770 20 30 CFEDHN CC[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)cc1 ZINC000346493539 382384214 /nfs/dbraw/zinc/38/42/14/382384214.db2.gz KFPWEGIKEQTUGN-GDBMZVCRSA-N 0 3 299.418 2.987 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C#N)o2)C1 ZINC000304358264 382398667 /nfs/dbraw/zinc/39/86/67/382398667.db2.gz XDALSBYNAIKKPX-BLLLJJGKSA-N 0 3 276.380 2.818 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(-c2ccccc2)cc1 ZINC000352465034 382347816 /nfs/dbraw/zinc/34/78/16/382347816.db2.gz BUVZVQGNTPMELP-KRWDZBQOSA-N 0 3 253.345 2.990 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000352465292 382347824 /nfs/dbraw/zinc/34/78/24/382347824.db2.gz HFNPIAGFVQJZQW-HNNXBMFYSA-N 0 3 293.370 2.662 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2ccc(F)cc2)CC1 ZINC000305095295 382422565 /nfs/dbraw/zinc/42/25/65/382422565.db2.gz RVCKLESVALMMOZ-HNNXBMFYSA-N 0 3 293.382 2.996 20 30 CFEDHN C=CCC[C@@H](NCc1n[nH]c(C)n1)c1ccccc1 ZINC000358040845 382423144 /nfs/dbraw/zinc/42/31/44/382423144.db2.gz BXYVRZZNZSWHNN-CQSZACIVSA-N 0 3 256.353 2.910 20 30 CFEDHN N#CCCCOc1cccc(CN2CCC(CO)CC2)c1 ZINC000305730835 382442529 /nfs/dbraw/zinc/44/25/29/382442529.db2.gz LTPKERRLIJNPQY-UHFFFAOYSA-N 0 3 288.391 2.573 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000346557391 382411833 /nfs/dbraw/zinc/41/18/33/382411833.db2.gz SJZHSQGDURKUSJ-KGLIPLIRSA-N 0 3 296.480 2.627 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)s1)OC ZINC000294097081 382414120 /nfs/dbraw/zinc/41/41/20/382414120.db2.gz BPNBBCIWXGCZTE-GXFFZTMASA-N 0 3 252.383 2.770 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000352970106 382485811 /nfs/dbraw/zinc/48/58/11/382485811.db2.gz UFYZCRPODKZSBV-CABCVRRESA-N 0 3 281.444 2.761 20 30 CFEDHN CC1CC(C#N)(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000309577528 382488585 /nfs/dbraw/zinc/48/85/85/382488585.db2.gz XRCITOIKWHDFGM-UHFFFAOYSA-N 0 3 299.418 2.565 20 30 CFEDHN C=CCNC(=O)CN(CC)[C@H](CC)c1ccccc1 ZINC000346718007 382488568 /nfs/dbraw/zinc/48/85/68/382488568.db2.gz ULSPXIQAZZCKDA-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(Br)c(F)c1 ZINC000309559251 382489232 /nfs/dbraw/zinc/48/92/32/382489232.db2.gz KOEIJFDKGBQVPS-PSASIEDQSA-N 0 3 288.160 2.786 20 30 CFEDHN C=CCOCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000294296233 382499229 /nfs/dbraw/zinc/49/92/29/382499229.db2.gz WTKQUTAOKPKTJY-UHFFFAOYSA-N 0 3 291.366 2.923 20 30 CFEDHN C[C@@H]1C[C@@H](CO)CN(CC#Cc2cccc(Cl)c2)C1 ZINC000420936835 382500440 /nfs/dbraw/zinc/50/04/40/382500440.db2.gz IYYZGWHIFDAWES-UKRRQHHQSA-N 0 3 277.795 2.642 20 30 CFEDHN N#CCCOCCN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949680 382500909 /nfs/dbraw/zinc/50/09/09/382500909.db2.gz OYRBCNHOQDTGNT-NSHDSACASA-N 0 3 264.291 2.581 20 30 CFEDHN C[C@H]1C[C@@H](CO)CN(CC#Cc2cccc(Cl)c2)C1 ZINC000420936832 382501275 /nfs/dbraw/zinc/50/12/75/382501275.db2.gz IYYZGWHIFDAWES-DZGCQCFKSA-N 0 3 277.795 2.642 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](C2CCCC2)C1 ZINC000420962842 382502396 /nfs/dbraw/zinc/50/23/96/382502396.db2.gz LRPZHDBZUWWIFZ-HOCLYGCPSA-N 0 3 291.439 2.507 20 30 CFEDHN N#CCCOCCN[C@@H](CC(F)F)c1ccccc1 ZINC000420991769 382503534 /nfs/dbraw/zinc/50/35/34/382503534.db2.gz JFCKWGRPLBZDDQ-ZDUSSCGKSA-N 0 3 268.307 2.903 20 30 CFEDHN C=CCNC(=O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC000421019493 382507912 /nfs/dbraw/zinc/50/79/12/382507912.db2.gz MJAQJEAIHRVDIU-HNNXBMFYSA-N 0 3 272.392 2.557 20 30 CFEDHN Cc1noc(C)c1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353389006 382541606 /nfs/dbraw/zinc/54/16/06/382541606.db2.gz QWUDZSXUKQLTIO-KRWDZBQOSA-N 0 3 281.359 2.983 20 30 CFEDHN C#CC[C@@H](NC[C@H](O)Cc1ccccc1)c1ccccc1 ZINC000294910095 382543494 /nfs/dbraw/zinc/54/34/94/382543494.db2.gz FOELJXSWGPCCHF-RTBURBONSA-N 0 3 279.383 2.944 20 30 CFEDHN CC1=CCN(CCNc2cc(C#N)c3ccccc3n2)CC1 ZINC000358338563 382576106 /nfs/dbraw/zinc/57/61/06/382576106.db2.gz CEYYHCUYBVHGRO-UHFFFAOYSA-N 0 3 292.386 2.592 20 30 CFEDHN C[C@H](NCC[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000346864221 382550045 /nfs/dbraw/zinc/55/00/45/382550045.db2.gz MJKBXCNBGVAORH-RYUDHWBXSA-N 0 3 262.328 2.775 20 30 CFEDHN C=CCC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346932464 382576645 /nfs/dbraw/zinc/57/66/45/382576645.db2.gz BCNZXAZLJIFUJR-INIZCTEOSA-N 0 3 297.402 2.846 20 30 CFEDHN C#CCN(C)CCCN[C@H](CC(C)C)c1ccccn1 ZINC000294967644 382556535 /nfs/dbraw/zinc/55/65/35/382556535.db2.gz JTBMIXHWXVGOGK-QGZVFWFLSA-N 0 3 273.424 2.714 20 30 CFEDHN CN1CC[C@@H](CNC(=O)c2ccoc2)[C@@H]1c1cccnc1 ZINC000328640999 382557928 /nfs/dbraw/zinc/55/79/28/382557928.db2.gz XTEIPHOJZBZPQD-ZFWWWQNUSA-N 0 3 285.347 2.672 20 30 CFEDHN CC(C)(C[C@H]1CCCN(Cc2cccc(C#N)c2)C1)C(N)=O ZINC000294826725 382532687 /nfs/dbraw/zinc/53/26/87/382532687.db2.gz PNJRJGBGCQDACT-MRXNPFEDSA-N 0 3 299.418 2.672 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000320226722 382536202 /nfs/dbraw/zinc/53/62/02/382536202.db2.gz HTFYKTCCVQXREJ-WCQYABFASA-N 0 3 267.344 2.812 20 30 CFEDHN N#Cc1cc(CN[C@H](CO)C2CCCCC2)ccc1F ZINC000386253768 382584742 /nfs/dbraw/zinc/58/47/42/382584742.db2.gz LNFPCZANUXHQIB-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCSCCNCc1cc(C(=O)OCC)c(C)[nH]1 ZINC000295226950 382593947 /nfs/dbraw/zinc/59/39/47/382593947.db2.gz RNMPCCPYCCGBOI-UHFFFAOYSA-N 0 3 282.409 2.509 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC[C@H](C)SC)CC1 ZINC000358402446 382600699 /nfs/dbraw/zinc/60/06/99/382600699.db2.gz NDIAIBODMLDFAI-ZDUSSCGKSA-N 0 3 284.469 2.675 20 30 CFEDHN C=C(CC)CNCc1cnn(Cc2ccccc2)c1 ZINC000390313799 382617831 /nfs/dbraw/zinc/61/78/31/382617831.db2.gz GQZRGEZSANLORH-UHFFFAOYSA-N 0 3 255.365 2.987 20 30 CFEDHN C=CCOc1ccccc1CNCC1([S@](C)=O)CCC1 ZINC000393702925 382624324 /nfs/dbraw/zinc/62/43/24/382624324.db2.gz GRXZONIRDNGQOJ-FQEVSTJZSA-N 0 3 293.432 2.642 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@H](O)CC(C)(C)C1 ZINC000395344286 382630136 /nfs/dbraw/zinc/63/01/36/382630136.db2.gz CXARHLQROAMCTP-HNNXBMFYSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@H](C)O1 ZINC000398112223 382634896 /nfs/dbraw/zinc/63/48/96/382634896.db2.gz NMHDPXCKSUYEGZ-ZFWWWQNUSA-N 0 3 261.365 2.909 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1[C@@H]2CC[C@H]1CC(O)C2 ZINC000189886394 382643952 /nfs/dbraw/zinc/64/39/52/382643952.db2.gz UEGXUSCEDVXGTJ-AEZOWIDVSA-N 0 3 256.349 2.607 20 30 CFEDHN COc1ccc(CN2CCSC[C@H](C)C2)cc1C#N ZINC000190395248 382665843 /nfs/dbraw/zinc/66/58/43/382665843.db2.gz HLVYQIVOELDHMY-GFCCVEGCSA-N 0 3 276.405 2.752 20 30 CFEDHN C[C@@H]1CSCCN(CCOc2ccc(C#N)cc2)C1 ZINC000190469737 382669845 /nfs/dbraw/zinc/66/98/45/382669845.db2.gz UOAQQXWPSYYPDF-ZDUSSCGKSA-N 0 3 276.405 2.622 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190486934 382670810 /nfs/dbraw/zinc/67/08/10/382670810.db2.gz CKJKOEVROHCZIF-RHSMWYFYSA-N 0 3 288.391 2.574 20 30 CFEDHN C[C@@H]1CSCCN(Cc2ccc(C#N)s2)C1 ZINC000190844987 382682329 /nfs/dbraw/zinc/68/23/29/382682329.db2.gz XWUYUEAKOBDSIZ-JTQLQIEISA-N 0 3 252.408 2.805 20 30 CFEDHN CC1(C)CC[C@H](CNCc2ccc(C#N)s2)O1 ZINC000189713710 382636762 /nfs/dbraw/zinc/63/67/62/382636762.db2.gz NANHTTWJQCJJLT-SNVBAGLBSA-N 0 3 250.367 2.667 20 30 CFEDHN C=CCSCCNCc1ccc(N(C)CC)nc1 ZINC000190958042 382686563 /nfs/dbraw/zinc/68/65/63/382686563.db2.gz BEWGGUJCBWSZMI-UHFFFAOYSA-N 0 3 265.426 2.547 20 30 CFEDHN C=CCN(CCOC)CCC(=O)Nc1ccccc1Cl ZINC000191135229 382692481 /nfs/dbraw/zinc/69/24/81/382692481.db2.gz MQJODZIHEHWCAS-UHFFFAOYSA-N 0 3 296.798 2.803 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)CC1CCCC1 ZINC000191297250 382697980 /nfs/dbraw/zinc/69/79/80/382697980.db2.gz GWUKHBUOZOEZAL-QGZVFWFLSA-N 0 3 272.392 2.931 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000191446912 382700446 /nfs/dbraw/zinc/70/04/46/382700446.db2.gz OATHNKFSMXKQES-JKSUJKDBSA-N 0 3 287.407 2.676 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000194173254 382736930 /nfs/dbraw/zinc/73/69/30/382736930.db2.gz HLJJYWBRQCUOOS-KGLIPLIRSA-N 0 3 269.772 2.554 20 30 CFEDHN C=C(C)CN(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000192695104 382711208 /nfs/dbraw/zinc/71/12/08/382711208.db2.gz CKPXNUXQIZRRJC-UHFFFAOYSA-N 0 3 262.378 2.608 20 30 CFEDHN CCC(CC)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000193853250 382727203 /nfs/dbraw/zinc/72/72/03/382727203.db2.gz DWGBWUCEBAWARM-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN CCC[C@]1(COC)CCCN1Cc1ccc(C#N)cn1 ZINC000575192934 382731150 /nfs/dbraw/zinc/73/11/50/382731150.db2.gz RWNNSWUYIQMDKT-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN C=CCN1CC[C@H](N2CCCC[C@H]2Cc2ccccc2)C1=O ZINC000337129367 382765179 /nfs/dbraw/zinc/76/51/79/382765179.db2.gz INLZYCTVIORHAJ-ROUUACIJSA-N 0 3 298.430 2.871 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@@H](C)Cc2ccc(C)cc2)C1=O ZINC000337132170 382765651 /nfs/dbraw/zinc/76/56/51/382765651.db2.gz AIHAUDXYRLGSMC-DOTOQJQBSA-N 0 3 286.419 2.645 20 30 CFEDHN N#CC1(CCCN2CCC[C@H]3COCC[C@H]32)CCOCC1 ZINC000337197369 382775149 /nfs/dbraw/zinc/77/51/49/382775149.db2.gz XAJGXPSIZMKILX-JKSUJKDBSA-N 0 3 292.423 2.588 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](C)c2c(C)cccc2C)C1=O ZINC000337206972 382777149 /nfs/dbraw/zinc/77/71/49/382777149.db2.gz NNKPAZUSZNWTJR-LSDHHAIUSA-N 0 3 272.392 2.741 20 30 CFEDHN C=CCN1CC[C@@H](N2Cc3ccccc3C[C@H]2CC)C1=O ZINC000337212759 382778444 /nfs/dbraw/zinc/77/84/44/382778444.db2.gz VTTSNNRZRCYXJY-IAGOWNOFSA-N 0 3 284.403 2.610 20 30 CFEDHN Cc1occc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000194303947 382739426 /nfs/dbraw/zinc/73/94/26/382739426.db2.gz DBSCQRBJCUGFRY-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN CN(CCN(C)C1CC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000337006502 382751277 /nfs/dbraw/zinc/75/12/77/382751277.db2.gz BOPUGUHPTRFMJJ-UHFFFAOYSA-N 0 3 298.312 2.502 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337495945 382832088 /nfs/dbraw/zinc/83/20/88/382832088.db2.gz YIKAQNAMQYFTJO-RYUDHWBXSA-N 0 3 299.411 2.920 20 30 CFEDHN Cc1sc(NC(=O)CN[C@H]2CCC2(C)C)c(C#N)c1C ZINC000576954592 382842416 /nfs/dbraw/zinc/84/24/16/382842416.db2.gz NEASFFNOJRBPGI-LBPRGKRZSA-N 0 3 291.420 2.953 20 30 CFEDHN C[C@@H]1CN(CCCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493908074 382906848 /nfs/dbraw/zinc/90/68/48/382906848.db2.gz MHQHMJABAIQJPY-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCCOc1ccc(CNC[C@H]2CCCCO2)cc1 ZINC000236684408 382907115 /nfs/dbraw/zinc/90/71/15/382907115.db2.gz UWMXBBUPZHWDIE-QGZVFWFLSA-N 0 3 273.376 2.747 20 30 CFEDHN C=CCCOCCNCc1ccnc2ccccc12 ZINC000229880256 382854010 /nfs/dbraw/zinc/85/40/10/382854010.db2.gz AQMHWCXFRVKZIX-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN COc1cc(CNCCSC(F)(F)F)ccc1C#N ZINC000231952133 382867785 /nfs/dbraw/zinc/86/77/85/382867785.db2.gz MSGPPBYLTVJNOQ-UHFFFAOYSA-N 0 3 290.310 2.909 20 30 CFEDHN COc1cc(CNC[C@H]2CSCCS2)ccc1C#N ZINC000234924184 382875747 /nfs/dbraw/zinc/87/57/47/382875747.db2.gz LMPJZQPTQICAOX-ZDUSSCGKSA-N 0 3 294.445 2.505 20 30 CFEDHN COc1cc(CNCc2ccc(O)cc2)ccc1C#N ZINC000234927495 382875772 /nfs/dbraw/zinc/87/57/72/382875772.db2.gz QWBNOAWJVXCXOH-UHFFFAOYSA-N 0 3 268.316 2.562 20 30 CFEDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1cccc(C#N)c1 ZINC000235464215 382882684 /nfs/dbraw/zinc/88/26/84/382882684.db2.gz LMWQWCSYYCMZGK-GFCCVEGCSA-N 0 3 289.379 2.561 20 30 CFEDHN C=C(CC)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000494276973 382910889 /nfs/dbraw/zinc/91/08/89/382910889.db2.gz NAQXQQAJYMJIMR-ZBFHGGJFSA-N 0 3 294.345 2.792 20 30 CFEDHN Cc1cc(C#N)ccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000235765138 382887759 /nfs/dbraw/zinc/88/77/59/382887759.db2.gz LIJXSTNDDWDBKP-HZPDHXFCSA-N 0 3 256.349 2.524 20 30 CFEDHN C=CCCCCN1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000578149548 382895376 /nfs/dbraw/zinc/89/53/76/382895376.db2.gz JGJSURJYSGPKCJ-QLFBSQMISA-N 0 3 253.386 2.611 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000441156360 382898576 /nfs/dbraw/zinc/89/85/76/382898576.db2.gz LBEHGGKVCYHDSZ-INIZCTEOSA-N 0 3 288.822 2.860 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000540957123 382963734 /nfs/dbraw/zinc/96/37/34/382963734.db2.gz IDRTXEYJMGURMB-OHXSVUBBSA-N 0 3 254.333 2.850 20 30 CFEDHN N#C[C@H]1CC[C@H](NCc2ccc(Cn3cccn3)cc2)C1 ZINC000442643074 382940397 /nfs/dbraw/zinc/94/03/97/382940397.db2.gz GIBVFNICJNPOHB-IRXDYDNUSA-N 0 3 280.375 2.713 20 30 CFEDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442712940 382948097 /nfs/dbraw/zinc/94/80/97/382948097.db2.gz HWBZYZAZVSNVCE-JJRVBVJISA-N 0 3 299.418 2.997 20 30 CFEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(N2CCOCC2)c1 ZINC000442761819 382951866 /nfs/dbraw/zinc/95/18/66/382951866.db2.gz CXCXIESBBQBDNQ-DOTOQJQBSA-N 0 3 299.418 2.614 20 30 CFEDHN Cc1ccn(-c2ccccc2CN[C@H]2CC[C@@H](C#N)C2)n1 ZINC000442816281 382958470 /nfs/dbraw/zinc/95/84/70/382958470.db2.gz DOHZMYOKNWFLBA-ZBFHGGJFSA-N 0 3 280.375 2.963 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000442843135 382959973 /nfs/dbraw/zinc/95/99/73/382959973.db2.gz PSQYGHUSKWUERS-GHMZBOCLSA-N 0 3 299.296 2.761 20 30 CFEDHN C=CCN(CCOC[C@@H]1CCCO1)CCc1ccco1 ZINC000539816126 382962339 /nfs/dbraw/zinc/96/23/39/382962339.db2.gz KOXHGJHRLBMCPC-INIZCTEOSA-N 0 3 279.380 2.506 20 30 CFEDHN C=C(C)COCCN[C@@H](C)[C@H](OC)c1ccccc1 ZINC000494593605 382914731 /nfs/dbraw/zinc/91/47/31/382914731.db2.gz YKHWLOIPWIWQHL-HOCLYGCPSA-N 0 3 263.381 2.945 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000494687240 382919041 /nfs/dbraw/zinc/91/90/41/382919041.db2.gz DTYVYCAXOKGKEG-HRCADAONSA-N 0 3 293.455 2.999 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000494712078 382922827 /nfs/dbraw/zinc/92/28/27/382922827.db2.gz USNOGCLIIHPRIM-OWCLPIDISA-N 0 3 293.455 2.857 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)Cc2cccc(C#N)c2F)C1 ZINC000495228189 382973591 /nfs/dbraw/zinc/97/35/91/382973591.db2.gz DAFHUWHAPHGEHT-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN N#CC(C(=O)c1cccc2nccnc21)c1ccccn1 ZINC000544555292 382974691 /nfs/dbraw/zinc/97/46/91/382974691.db2.gz GTOKMRBEMVPBBU-LBPRGKRZSA-N 0 3 274.283 2.515 20 30 CFEDHN CC(C)(C#N)CCCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725794 382979217 /nfs/dbraw/zinc/97/92/17/382979217.db2.gz NXOGOYSDPZISSU-NWDGAFQWSA-N 0 3 292.345 2.952 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](C(C)C)C1 ZINC000444764509 382980659 /nfs/dbraw/zinc/98/06/59/382980659.db2.gz BLYFLLHQKVLLOU-HZPDHXFCSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N2CCCC2)CCCC1(C)C ZINC000444780732 382981463 /nfs/dbraw/zinc/98/14/63/382981463.db2.gz FKCRDRJUOZXKPC-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NCC(C)C)CCCC1(C)C ZINC000444785986 382982001 /nfs/dbraw/zinc/98/20/01/382982001.db2.gz MLVZOUUCSZOCRZ-CQSZACIVSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCOCCCN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000495514291 382992691 /nfs/dbraw/zinc/99/26/91/382992691.db2.gz UGYKDLRCQKRRET-AWEZNQCLSA-N 0 3 298.427 2.568 20 30 CFEDHN COc1cccc(C2(NCCCC#N)CCOCC2)c1F ZINC000447361599 382995891 /nfs/dbraw/zinc/99/58/91/382995891.db2.gz ZIWBWLXQIIUCFS-UHFFFAOYSA-N 0 3 292.354 2.733 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000447717253 383000779 /nfs/dbraw/zinc/00/07/79/383000779.db2.gz DLAZTLRSAMCBHZ-LDWIPMOCSA-N 0 3 274.217 2.547 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245463452 383002005 /nfs/dbraw/zinc/00/20/05/383002005.db2.gz XJPNPPVXWBNGCP-FRFSOERESA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000495728898 383018539 /nfs/dbraw/zinc/01/85/39/383018539.db2.gz NBFRBDJTLXLCQU-RQJABVFESA-N 0 3 293.411 2.524 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495686818 383013171 /nfs/dbraw/zinc/01/31/71/383013171.db2.gz ITFWWIQFJGWZRI-CYBMUJFWSA-N 0 3 254.374 2.552 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542323423 382968614 /nfs/dbraw/zinc/96/86/14/382968614.db2.gz VOAABDCXMDYIRR-GOSISDBHSA-N 0 3 298.430 2.985 20 30 CFEDHN C=CC1CCN(CCOc2cccc(OC)c2)CC1 ZINC000443616326 382969483 /nfs/dbraw/zinc/96/94/83/382969483.db2.gz QWHAMGHCDRZNMK-UHFFFAOYSA-N 0 3 261.365 2.972 20 30 CFEDHN C=CCCC[C@@H](C)NCCS(=O)(=O)c1ccccc1 ZINC000580184497 383078301 /nfs/dbraw/zinc/07/83/01/383078301.db2.gz FAIKXRYBOBTLCG-CQSZACIVSA-N 0 3 281.421 2.795 20 30 CFEDHN C=CCC[C@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000245975070 383055311 /nfs/dbraw/zinc/05/53/11/383055311.db2.gz BPEDFMHXJOEVOZ-ZWKOTPCHSA-N 0 3 289.419 2.995 20 30 CFEDHN C=CCCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000338542158 383020322 /nfs/dbraw/zinc/02/03/22/383020322.db2.gz LKWLSGXBUXVCAI-DZGCQCFKSA-N 0 3 296.773 2.917 20 30 CFEDHN C=CCOCCCN1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495745748 383021007 /nfs/dbraw/zinc/02/10/07/383021007.db2.gz BOZZKSDJZXVJAY-OAHLLOKOSA-N 0 3 298.427 2.568 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(N(C)C)c2)nc(C)n1 ZINC000338629237 383025109 /nfs/dbraw/zinc/02/51/09/383025109.db2.gz YNGJQPFWRQLYRM-OAHLLOKOSA-N 0 3 294.358 2.650 20 30 CFEDHN CCN(CC)[C@H](CNC(=O)CC1(C#N)CC1)c1ccccc1 ZINC000590137591 383121270 /nfs/dbraw/zinc/12/12/70/383121270.db2.gz CCEIQYWJNBWSOJ-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccccc2Cn2ccnc2)C1 ZINC000554889467 383147296 /nfs/dbraw/zinc/14/72/96/383147296.db2.gz OJQCTHMMIRFRPH-WMLDXEAASA-N 0 3 280.375 2.713 20 30 CFEDHN CNC(=O)OC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000496744397 383123631 /nfs/dbraw/zinc/12/36/31/383123631.db2.gz XWHVPKDPEZRJNK-CYBMUJFWSA-N 0 3 281.400 2.527 20 30 CFEDHN CC(C)[C@]1(C)C[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000458135421 383129533 /nfs/dbraw/zinc/12/95/33/383129533.db2.gz QCRVGOWZXOVQBE-JZXOWHBKSA-N 0 3 295.386 2.791 20 30 CFEDHN C=CCN1CC[C@@H](N2C[C@H](c3ccccc3)C(C)(C)C2)C1=O ZINC000499554232 383134703 /nfs/dbraw/zinc/13/47/03/383134703.db2.gz STTMDLCZNFBUCB-IAGOWNOFSA-N 0 3 298.430 2.899 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCCCC#N)[C@@H]2C1 ZINC000496300364 383085379 /nfs/dbraw/zinc/08/53/79/383085379.db2.gz CFLMBPILUPLNIH-ZIAGYGMSSA-N 0 3 293.411 2.621 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000496361941 383093174 /nfs/dbraw/zinc/09/31/74/383093174.db2.gz NKZQEVQCHPGLDR-MGPQQGTHSA-N 0 3 295.427 2.771 20 30 CFEDHN CC(C)[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000246719317 383096741 /nfs/dbraw/zinc/09/67/41/383096741.db2.gz MYELPSYLSXGJRV-NVXWUHKLSA-N 0 3 293.455 2.799 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000448700866 383096934 /nfs/dbraw/zinc/09/69/34/383096934.db2.gz YMMMBSUYMDNVOL-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCN(CC=C)C(=O)COc1cc(C)nc(C)c1C ZINC000584421253 383101617 /nfs/dbraw/zinc/10/16/17/383101617.db2.gz JFFMYXLPYQHQDP-UHFFFAOYSA-N 0 3 274.364 2.586 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000246806757 383105905 /nfs/dbraw/zinc/10/59/05/383105905.db2.gz BGFHTQMUEGAEAC-HUUCEWRRSA-N 0 3 293.455 2.895 20 30 CFEDHN C=CC(C)(C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000448932083 383109074 /nfs/dbraw/zinc/10/90/74/383109074.db2.gz GKPOLXKKBKONOH-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496542572 383113986 /nfs/dbraw/zinc/11/39/86/383113986.db2.gz LOPVMSHAZJCBOH-IHRRRGAJSA-N 0 3 295.427 2.914 20 30 CFEDHN CCN1CC[C@H]2OCCN(CCCCC(C)(C)C#N)[C@H]2C1 ZINC000339388451 383194024 /nfs/dbraw/zinc/19/40/24/383194024.db2.gz ZPVHWGSLSSRBDU-JKSUJKDBSA-N 0 3 293.455 2.501 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634457581 383199359 /nfs/dbraw/zinc/19/93/59/383199359.db2.gz BTGFCAUFPKQJTQ-SFHVURJKSA-N 0 3 298.430 2.879 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248145727 383214548 /nfs/dbraw/zinc/21/45/48/383214548.db2.gz ZOQWHGZLARLKRN-GDBMZVCRSA-N 0 3 258.365 2.514 20 30 CFEDHN C=C(C)CN1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000510074852 383149183 /nfs/dbraw/zinc/14/91/83/383149183.db2.gz SBQLSYNCNSCOJQ-UHFFFAOYSA-N 0 3 253.386 2.864 20 30 CFEDHN CC[C@@H]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000247246274 383155662 /nfs/dbraw/zinc/15/56/62/383155662.db2.gz XIIMWKJPLKQNFK-HUUCEWRRSA-N 0 3 279.428 2.507 20 30 CFEDHN C[C@@H](C1CC1)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515852224 383161469 /nfs/dbraw/zinc/16/14/69/383161469.db2.gz SKYLEVATPOYUFJ-JTQLQIEISA-N 0 3 259.309 2.697 20 30 CFEDHN Cn1cc(CN[C@H]2CCC[C@H]2F)c(-c2ccc(C#N)cc2)n1 ZINC000339584529 383253325 /nfs/dbraw/zinc/25/33/25/383253325.db2.gz NFPXSZJXDWQWJX-CVEARBPZSA-N 0 3 298.365 2.939 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000424775533 383258201 /nfs/dbraw/zinc/25/82/01/383258201.db2.gz HXZQSMCJXUHMLN-ZDUSSCGKSA-N 0 3 252.402 2.578 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000424791272 383263127 /nfs/dbraw/zinc/26/31/27/383263127.db2.gz CCIQACQYALZWIR-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN CCCC[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000567431530 383274515 /nfs/dbraw/zinc/27/45/15/383274515.db2.gz OSMMLSCCXRJRHJ-DZGCQCFKSA-N 0 3 267.417 2.551 20 30 CFEDHN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000449416147 383277096 /nfs/dbraw/zinc/27/70/96/383277096.db2.gz RFEKSMQENMINHK-KGLIPLIRSA-N 0 3 292.404 2.831 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000424847456 383278677 /nfs/dbraw/zinc/27/86/77/383278677.db2.gz NIWTXAHCSPMIOU-RBSFLKMASA-N 0 3 278.440 2.777 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2ccccc2C#N)C1(C)C ZINC000339497145 383217845 /nfs/dbraw/zinc/21/78/45/383217845.db2.gz FJSTTZGPPPMBPF-GDBMZVCRSA-N 0 3 258.365 2.851 20 30 CFEDHN N#Cc1ccccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000339507123 383223299 /nfs/dbraw/zinc/22/32/99/383223299.db2.gz KIEFABIIJIVYSX-ARFHVFGLSA-N 0 3 268.360 2.605 20 30 CFEDHN CCO[C@@H]1C[C@@H]1NCc1cccc(OCCCC#N)c1 ZINC000567065420 383238706 /nfs/dbraw/zinc/23/87/06/383238706.db2.gz SSBCMZHIFGLOGX-JKSUJKDBSA-N 0 3 274.364 2.636 20 30 CFEDHN C=CCCC(C)(C)CN[C@@H](C(N)=O)c1ccccc1 ZINC000634576217 383242655 /nfs/dbraw/zinc/24/26/55/383242655.db2.gz MDWPXNJVFHRFCD-CQSZACIVSA-N 0 3 260.381 2.795 20 30 CFEDHN C[C@@H]1CCCN(CCNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425207483 383340851 /nfs/dbraw/zinc/34/08/51/383340851.db2.gz MQWDBGUPNWBCLY-GFCCVEGCSA-N 0 3 288.351 2.610 20 30 CFEDHN COc1ccc(CN2CC[C@H](OC)C(C)(C)C2)cc1C#N ZINC000449504868 383340888 /nfs/dbraw/zinc/34/08/88/383340888.db2.gz WJXDGPVIZFVFNV-INIZCTEOSA-N 0 3 288.391 2.814 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000248821362 383294183 /nfs/dbraw/zinc/29/41/83/383294183.db2.gz LJUXTLAZWQRTNE-KCPJHIHWSA-N 0 3 262.328 2.531 20 30 CFEDHN C[C@@]12CN(Cc3ccc(C#N)o3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449198 383299921 /nfs/dbraw/zinc/29/99/21/383299921.db2.gz KRIYRIBLMATRDH-KNPMLCFXSA-N 0 3 254.333 2.795 20 30 CFEDHN CC#CCN(C)CCCCOc1c(OC)cccc1OC ZINC000339756451 383306692 /nfs/dbraw/zinc/30/66/92/383306692.db2.gz FDXPXTAUIAEZSQ-UHFFFAOYSA-N 0 3 291.391 2.818 20 30 CFEDHN C=C[C@H](CC(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425061072 383316300 /nfs/dbraw/zinc/31/63/00/383316300.db2.gz XWBWWFNINVTWRS-BPQIPLTHSA-N 0 3 298.430 2.899 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCOC3(CCC3)C2)o1 ZINC000449478295 383319420 /nfs/dbraw/zinc/31/94/20/383319420.db2.gz RGYUDDYTHSFVBC-LBPRGKRZSA-N 0 3 260.337 2.590 20 30 CFEDHN OCC[C@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000426263407 383396372 /nfs/dbraw/zinc/39/63/72/383396372.db2.gz LZQXHYNOTPVINI-OAHLLOKOSA-N 0 3 263.768 2.538 20 30 CFEDHN C[C@H](CNc1ncc2c(c1C#N)CCC2)N1CCCC[C@H]1C ZINC000568385079 383396530 /nfs/dbraw/zinc/39/65/30/383396530.db2.gz IPORFXSKGHDGIG-ZIAGYGMSSA-N 0 3 298.434 2.539 20 30 CFEDHN C=CCCCN(C)Cc1ccc(C(=O)OCC)cn1 ZINC000450422318 383403000 /nfs/dbraw/zinc/40/30/00/383403000.db2.gz MXARZAQQYFOYMQ-UHFFFAOYSA-N 0 3 262.353 2.656 20 30 CFEDHN CCC[C@@]1(C)CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000252481191 383410876 /nfs/dbraw/zinc/41/08/76/383410876.db2.gz UNSPSKWIPAGZFS-ZBFHGGJFSA-N 0 3 279.428 2.649 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc2ccccc2c1 ZINC000449521592 383352505 /nfs/dbraw/zinc/35/25/05/383352505.db2.gz SLLOOYQFGIOPGT-CVEARBPZSA-N 0 3 254.333 2.668 20 30 CFEDHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000467376949 383352467 /nfs/dbraw/zinc/35/24/67/383352467.db2.gz MNDPOLRABJXMCE-AXFHLTTASA-N 0 3 250.317 2.771 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(C2CCC2)s1 ZINC000449522302 383353104 /nfs/dbraw/zinc/35/31/04/383353104.db2.gz VBSPZSAMSOFSCM-OLZOCXBDSA-N 0 3 264.394 2.844 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cnc(C(C)(C)C)nc1 ZINC000449546992 383354460 /nfs/dbraw/zinc/35/44/60/383354460.db2.gz GGIJFWUVZNQWDD-KGLIPLIRSA-N 0 3 275.396 2.597 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCOCC1CCC1)CC2 ZINC000568144402 383361807 /nfs/dbraw/zinc/36/18/07/383361807.db2.gz IXRCRCKRARVTLU-KRWDZBQOSA-N 0 3 270.376 2.952 20 30 CFEDHN C=C(CC)CNCc1nc2c(s1)CN(C(C)C)CC2 ZINC000449733118 383363519 /nfs/dbraw/zinc/36/35/19/383363519.db2.gz GJLPAAHWZFNKEO-UHFFFAOYSA-N 0 3 279.453 2.965 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCC1 ZINC000449864594 383368708 /nfs/dbraw/zinc/36/87/08/383368708.db2.gz PMGINTZUTHQXDH-HNNXBMFYSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000472840447 383380968 /nfs/dbraw/zinc/38/09/68/383380968.db2.gz KXPKBEAIQYYUHO-OAHLLOKOSA-N 0 3 279.428 2.613 20 30 CFEDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC000425483639 383381505 /nfs/dbraw/zinc/38/15/05/383381505.db2.gz RSYHMYQMAVALJM-INIZCTEOSA-N 0 3 291.826 2.984 20 30 CFEDHN CC[C@](C)(C(=O)OC)N(CCCCC#N)CC1CC1 ZINC000425516490 383383063 /nfs/dbraw/zinc/38/30/63/383383063.db2.gz VHCIPCLEMPFJTP-OAHLLOKOSA-N 0 3 266.385 2.734 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425532256 383383797 /nfs/dbraw/zinc/38/37/97/383383797.db2.gz IVYIZOLRDOZWTG-CZUORRHYSA-N 0 3 258.365 2.878 20 30 CFEDHN CC(C)C[C@H](CN1CCN(CC#N)CC1)c1ccccc1 ZINC000474282282 383383978 /nfs/dbraw/zinc/38/39/78/383383978.db2.gz ZKHRSKJZHWEFPW-GOSISDBHSA-N 0 3 285.435 2.957 20 30 CFEDHN C=CCN(Cc1cccs1)CC1(C(=O)OC)CC1 ZINC000450221622 383386358 /nfs/dbraw/zinc/38/63/58/383386358.db2.gz USIJZCHWZLIBMD-UHFFFAOYSA-N 0 3 265.378 2.689 20 30 CFEDHN Cc1nc(C)c(CNC(=O)C(C#N)CCc2ccccc2)o1 ZINC000568645928 383423560 /nfs/dbraw/zinc/42/35/60/383423560.db2.gz CFJPKKRTGKGTPW-OAHLLOKOSA-N 0 3 297.358 2.680 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000253086553 383440921 /nfs/dbraw/zinc/44/09/21/383440921.db2.gz BTLKJQDSLQFQSO-OIISXLGYSA-N 0 3 288.366 2.823 20 30 CFEDHN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(C)C#N)C2)cc1 ZINC000428315705 383449917 /nfs/dbraw/zinc/44/99/17/383449917.db2.gz OTLGSZYDZCTRPE-KCQAQPDRSA-N 0 3 256.349 2.859 20 30 CFEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1ccc(C#N)s1 ZINC000527801410 383471644 /nfs/dbraw/zinc/47/16/44/383471644.db2.gz JCBDXMVSLPCDBK-OLZOCXBDSA-N 0 3 250.367 2.665 20 30 CFEDHN C[C@@H]1CC[C@H](N(C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000429579905 383549398 /nfs/dbraw/zinc/54/93/98/383549398.db2.gz NDNKCTXIHLWZIH-DOMZBBRYSA-N 0 3 271.364 2.617 20 30 CFEDHN CC(C)[C@H]1CN(CC#Cc2ccccc2Cl)CCN1C ZINC000488021459 383489487 /nfs/dbraw/zinc/48/94/87/383489487.db2.gz DNPDTOMNZLSRHP-QGZVFWFLSA-N 0 3 290.838 2.964 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000428633186 383498003 /nfs/dbraw/zinc/49/80/03/383498003.db2.gz VEQAHAYGCXHMBB-GDBMZVCRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(CC)CN1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428795889 383499684 /nfs/dbraw/zinc/49/96/84/383499684.db2.gz UCENHIYOEVBGIZ-KRWDZBQOSA-N 0 3 273.376 2.769 20 30 CFEDHN Cc1cc(CN(C)CCc2ccncc2)ccc1C#N ZINC000488162408 383501773 /nfs/dbraw/zinc/50/17/73/383501773.db2.gz WYCQHNMUZOXWJQ-UHFFFAOYSA-N 0 3 265.360 2.936 20 30 CFEDHN C=CCOCCCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429228661 383506498 /nfs/dbraw/zinc/50/64/98/383506498.db2.gz ANUXNOADLWEWDI-OAHLLOKOSA-N 0 3 292.398 2.929 20 30 CFEDHN CCC1(CC)[C@H](NCC2(C#N)CC2)[C@@H](C)[C@@H]1OC ZINC000429283709 383510648 /nfs/dbraw/zinc/51/06/48/383510648.db2.gz HZLGKOFMRMFPLL-UPJWGTAASA-N 0 3 250.386 2.719 20 30 CFEDHN Oc1cccc2c1C[C@H](NCC#Cc1ccccc1)C2 ZINC000429301926 383517853 /nfs/dbraw/zinc/51/78/53/383517853.db2.gz PETRYWGRPYAMDG-MRXNPFEDSA-N 0 3 263.340 2.501 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)s1 ZINC000569595939 383518097 /nfs/dbraw/zinc/51/80/97/383518097.db2.gz RQDLZBPZPAHRGA-MLGOLLRUSA-N 0 3 286.400 2.874 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1C ZINC000488349918 383524991 /nfs/dbraw/zinc/52/49/91/383524991.db2.gz ORFGANGIKVXSHT-XJKSGUPXSA-N 0 3 258.365 2.663 20 30 CFEDHN CC[C@@H]1CN(C)CCN1CC#Cc1ccccc1Cl ZINC000569805100 383538635 /nfs/dbraw/zinc/53/86/35/383538635.db2.gz CTBVZBDATRGWFP-OAHLLOKOSA-N 0 3 276.811 2.718 20 30 CFEDHN C=CCN(CCCC(=O)N(C)C)Cc1cccs1 ZINC000569822032 383540117 /nfs/dbraw/zinc/54/01/17/383540117.db2.gz HKKJPGZXOMIMPB-UHFFFAOYSA-N 0 3 266.410 2.605 20 30 CFEDHN Cc1ccc(CNCC2(CC#N)CC2)cc1[N+](=O)[O-] ZINC000430022739 383584342 /nfs/dbraw/zinc/58/43/42/383584342.db2.gz VRZPDAVZOREEQD-UHFFFAOYSA-N 0 3 259.309 2.687 20 30 CFEDHN COc1ccc([C@@H](CCC#N)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000570272735 383588838 /nfs/dbraw/zinc/58/88/38/383588838.db2.gz UADXSQOGCZILPT-CRAIPNDOSA-N 0 3 299.418 2.866 20 30 CFEDHN CC1(C)CC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000570292108 383592016 /nfs/dbraw/zinc/59/20/16/383592016.db2.gz QICRDLPXXYBYOE-CYBMUJFWSA-N 0 3 291.782 2.928 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(F)cc1F ZINC000429703138 383560997 /nfs/dbraw/zinc/56/09/97/383560997.db2.gz PZYKQIMDDMBKCA-UHFFFAOYSA-N 0 3 268.351 2.905 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)c2ncc(C#N)cc2Cl)C1 ZINC000450947055 383562863 /nfs/dbraw/zinc/56/28/63/383562863.db2.gz ASYCWCSUPJWVQR-GFCCVEGCSA-N 0 3 278.787 2.526 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(-n2ccnn2)c1 ZINC000570036297 383563420 /nfs/dbraw/zinc/56/34/20/383563420.db2.gz IGZASLLRIZMBRB-VNHYZAJKSA-N 0 3 281.363 2.610 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(-n2ccnc2)cc1 ZINC000429720114 383563440 /nfs/dbraw/zinc/56/34/40/383563440.db2.gz DWNOGIUIVPLUHK-UHFFFAOYSA-N 0 3 298.434 2.812 20 30 CFEDHN Cc1c(Cl)cnc(N(C)[C@H]2CCN(C(C)C)C2)c1C#N ZINC000450950827 383564621 /nfs/dbraw/zinc/56/46/21/383564621.db2.gz DOHIVWSKEIJGAW-LBPRGKRZSA-N 0 3 292.814 2.834 20 30 CFEDHN CC1(C)CCCN1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000450952667 383565563 /nfs/dbraw/zinc/56/55/63/383565563.db2.gz VAWUXLQGOOEWQR-UHFFFAOYSA-N 0 3 288.351 2.753 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)NCC2(CC#N)CC2)c1 ZINC000429799995 383570210 /nfs/dbraw/zinc/57/02/10/383570210.db2.gz HHTRZJWPKQDECV-UHFFFAOYSA-N 0 3 286.379 2.564 20 30 CFEDHN CCO[C@H]1CCN(Cc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000451546483 383641368 /nfs/dbraw/zinc/64/13/68/383641368.db2.gz SEESKVVDCZSQTJ-BBRMVZONSA-N 0 3 288.391 2.814 20 30 CFEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000489445245 383620297 /nfs/dbraw/zinc/62/02/97/383620297.db2.gz ZYGMJOQETMNRCN-HNNXBMFYSA-N 0 3 283.375 2.927 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(F)c2C#N)[C@H]2CCCO[C@@H]21 ZINC000451474739 383624123 /nfs/dbraw/zinc/62/41/23/383624123.db2.gz BEAFZJHEMQSGJK-WQVCFCJDSA-N 0 3 288.366 2.991 20 30 CFEDHN CO[C@@]1(C)C[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000451486018 383625820 /nfs/dbraw/zinc/62/58/20/383625820.db2.gz JQGRKAKZSMEWAB-HOCLYGCPSA-N 0 3 276.355 2.991 20 30 CFEDHN CCO[C@H]1CCN(CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000451521399 383633960 /nfs/dbraw/zinc/63/39/60/383633960.db2.gz DOTLRNKNJWVUFH-YOEHRIQHSA-N 0 3 288.391 2.684 20 30 CFEDHN N#CCCC[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000433021986 383753068 /nfs/dbraw/zinc/75/30/68/383753068.db2.gz SOIUDGIEQCKNTF-OLZOCXBDSA-N 0 3 286.297 2.934 20 30 CFEDHN CC(C)OCCCNC(=O)C(C#N)CCc1ccccc1 ZINC000433122164 383754948 /nfs/dbraw/zinc/75/49/48/383754948.db2.gz PSANODSFDPLFCY-MRXNPFEDSA-N 0 3 288.391 2.690 20 30 CFEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433225555 383756347 /nfs/dbraw/zinc/75/63/47/383756347.db2.gz JAPFGKDUFVPHFP-SWLSCSKDSA-N 0 3 256.349 2.674 20 30 CFEDHN C=CCN(CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000264592442 383759398 /nfs/dbraw/zinc/75/93/98/383759398.db2.gz GXAUQUNQWBMZNW-QGZVFWFLSA-N 0 3 269.392 2.663 20 30 CFEDHN CN(CC1CC1)C(=O)C(C#N)CCc1ccccc1 ZINC000433309173 383760869 /nfs/dbraw/zinc/76/08/69/383760869.db2.gz XHTCYZILMSKHQK-OAHLLOKOSA-N 0 3 256.349 2.627 20 30 CFEDHN CN(C(=O)C(C#N)CCc1ccccc1)C1CCC1 ZINC000433380289 383761318 /nfs/dbraw/zinc/76/13/18/383761318.db2.gz AKOMSTWZTRBCLZ-CQSZACIVSA-N 0 3 256.349 2.770 20 30 CFEDHN CN(C)[C@@H](CC(=O)NC1(C#N)CCCC1)c1ccccc1 ZINC000433341539 383761895 /nfs/dbraw/zinc/76/18/95/383761895.db2.gz IGMJWIOWJGEZMC-HNNXBMFYSA-N 0 3 285.391 2.632 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)c2cc(C)cc(C)c2)C1=O ZINC000280930312 195032733 /nfs/dbraw/zinc/03/27/33/195032733.db2.gz DXEASDMAFCGSBK-GDBMZVCRSA-N 0 3 272.392 2.741 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC2(C1)CCCCC2 ZINC000530334437 383770652 /nfs/dbraw/zinc/77/06/52/383770652.db2.gz RFEBHYGFESLMLG-CQSZACIVSA-N 0 3 289.423 2.594 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCSC(C)(C)CC1 ZINC000434713557 383771180 /nfs/dbraw/zinc/77/11/80/383771180.db2.gz IOXVJDKTWNCGDS-UHFFFAOYSA-N 0 3 284.469 2.629 20 30 CFEDHN CC(C)[C@@H](C#N)NC(=O)c1cccc(CN2CCCC2)c1 ZINC000264739453 383778488 /nfs/dbraw/zinc/77/84/88/383778488.db2.gz JKJRFIQYXDDULF-MRXNPFEDSA-N 0 3 285.391 2.560 20 30 CFEDHN C#CCCCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000191893650 533005698 /nfs/dbraw/zinc/00/56/98/533005698.db2.gz KJQKGEQLWMUJMV-UHFFFAOYSA-N 0 3 284.403 2.524 20 30 CFEDHN N#Cc1ccccc1OCCN1CCSC[C@@H]1C1CC1 ZINC000451650093 383675117 /nfs/dbraw/zinc/67/51/17/383675117.db2.gz ULNMSTVJDDUCIZ-OAHLLOKOSA-N 0 3 288.416 2.764 20 30 CFEDHN C[C@H](NCC1([S@](C)=O)CCC1)c1ccc(C#N)cc1F ZINC000436299738 383803105 /nfs/dbraw/zinc/80/31/05/383803105.db2.gz HBWQNAXHWZBOTK-YBTHPKLGSA-N 0 3 294.395 2.649 20 30 CFEDHN C=CCN1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000645963260 383805940 /nfs/dbraw/zinc/80/59/40/383805940.db2.gz PMQOMQVMJJJIBF-OAHLLOKOSA-N 0 3 290.382 2.730 20 30 CFEDHN C=CCN1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000645963259 383806234 /nfs/dbraw/zinc/80/62/34/383806234.db2.gz PMQOMQVMJJJIBF-HNNXBMFYSA-N 0 3 290.382 2.730 20 30 CFEDHN CCC[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)OC ZINC000453241955 383812529 /nfs/dbraw/zinc/81/25/29/383812529.db2.gz DXBUYJQXGWEHLT-GDBMZVCRSA-N 0 3 258.365 2.950 20 30 CFEDHN CCC[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)OC ZINC000453241977 383812973 /nfs/dbraw/zinc/81/29/73/383812973.db2.gz DXBUYJQXGWEHLT-HOCLYGCPSA-N 0 3 258.365 2.950 20 30 CFEDHN CCC(C)(C)N(C)CC(=O)Nc1sccc1C#N ZINC000265005462 383815466 /nfs/dbraw/zinc/81/54/66/383815466.db2.gz GGFSHMVZSHMAAJ-UHFFFAOYSA-N 0 3 265.382 2.679 20 30 CFEDHN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000265052721 383822805 /nfs/dbraw/zinc/82/28/05/383822805.db2.gz QIMIQAUTSSUASG-CVEARBPZSA-N 0 3 258.365 2.684 20 30 CFEDHN C=CCOCCN(Cc1ccc(C)nc1)CC1CC1 ZINC000646020180 383823074 /nfs/dbraw/zinc/82/30/74/383823074.db2.gz MUJJRVJMCPVFEF-UHFFFAOYSA-N 0 3 260.381 2.805 20 30 CFEDHN CC[C@@](C)(COc1ncccc1Cl)NC(=O)C(C)C#N ZINC000435990645 383782276 /nfs/dbraw/zinc/78/22/76/383782276.db2.gz BOSFYAXGMHPNCB-YGRLFVJLSA-N 0 3 295.770 2.558 20 30 CFEDHN CC(C)[C@H](C#N)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000264791703 383783728 /nfs/dbraw/zinc/78/37/28/383783728.db2.gz RTAOHUSXIKHFQB-KRWDZBQOSA-N 0 3 299.418 2.950 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)/C=C/c1ccc(C#N)cc1 ZINC000264802704 383783887 /nfs/dbraw/zinc/78/38/87/383783887.db2.gz ULXIXEHBKIJRRO-DVQDXYAYSA-N 0 3 297.402 2.562 20 30 CFEDHN CO[C@H]1C[C@@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000453209554 383801657 /nfs/dbraw/zinc/80/16/57/383801657.db2.gz DDODTJAVPJORJI-KGLIPLIRSA-N 0 3 274.339 2.745 20 30 CFEDHN CC1(C)C[C@@H](CNCc2ccc(C#N)cc2F)CCO1 ZINC000453576648 383856541 /nfs/dbraw/zinc/85/65/41/383856541.db2.gz GFDTUYWYGCQHGD-ZDUSSCGKSA-N 0 3 276.355 2.992 20 30 CFEDHN C=CCCCN1CCN(CCc2cccs2)CC1 ZINC000265498083 383932396 /nfs/dbraw/zinc/93/23/96/383932396.db2.gz XCBANHPRPRHWMN-UHFFFAOYSA-N 0 3 264.438 2.874 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(C)c2C)CC1 ZINC000265312928 383891199 /nfs/dbraw/zinc/89/11/99/383891199.db2.gz UBGPCJBMQKJTGH-MRXNPFEDSA-N 0 3 298.430 2.826 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2cccc(C#N)c2)cc1C ZINC000453631171 383893655 /nfs/dbraw/zinc/89/36/55/383893655.db2.gz ORJAJFZPRKCHBA-IBGZPJMESA-N 0 3 294.398 2.868 20 30 CFEDHN CC1(C)CCC[C@@](O)(CNCc2ccc(C#N)o2)C1 ZINC000438366476 383994527 /nfs/dbraw/zinc/99/45/27/383994527.db2.gz WMLIRSOIIWRNBU-HNNXBMFYSA-N 0 3 262.353 2.572 20 30 CFEDHN CC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N(CC)CC ZINC000265639839 383966267 /nfs/dbraw/zinc/96/62/67/383966267.db2.gz VLGLAGHPLYNCQL-INIZCTEOSA-N 0 3 287.407 2.637 20 30 CFEDHN CC(C)n1cc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2n1 ZINC000573918289 384012337 /nfs/dbraw/zinc/01/23/37/384012337.db2.gz XSWFUICWEQWISI-AWEZNQCLSA-N 0 3 299.378 2.577 20 30 CFEDHN CC(C#N)C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000438929528 384030824 /nfs/dbraw/zinc/03/08/24/384030824.db2.gz WHNSYOIIQJIYMM-UTLUCORTSA-N 0 3 262.275 2.631 20 30 CFEDHN C=CCOc1cccc(CNC[C@@H](O)c2ccc(C)o2)c1 ZINC000266014195 384054545 /nfs/dbraw/zinc/05/45/45/384054545.db2.gz QGHWRBYLLFYAMR-MRXNPFEDSA-N 0 3 287.359 2.976 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637472513 384079608 /nfs/dbraw/zinc/07/96/08/384079608.db2.gz KGAMTOBEKGRGFY-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN COc1ccccc1C1(CNCc2ccc(C#N)o2)CC1 ZINC000266186525 384108549 /nfs/dbraw/zinc/10/85/49/384108549.db2.gz HLRVXQRRWDWTNJ-UHFFFAOYSA-N 0 3 282.343 2.981 20 30 CFEDHN COc1cc(CN[C@@H]2Cc3cccc(O)c3C2)ccc1C#N ZINC000440624089 384115532 /nfs/dbraw/zinc/11/55/32/384115532.db2.gz YAMSUVRCSQCWPH-OAHLLOKOSA-N 0 3 294.354 2.529 20 30 CFEDHN COc1cc(CN[C@H]2CC[C@H]2SC)ccc1C#N ZINC000440624490 384115910 /nfs/dbraw/zinc/11/59/10/384115910.db2.gz YVCHUPXTDFUWBO-GXTWGEPZSA-N 0 3 262.378 2.550 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000637623583 384140550 /nfs/dbraw/zinc/14/05/50/384140550.db2.gz HXDRZWFPKRAQOZ-LSDHHAIUSA-N 0 3 295.471 2.960 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000637624318 384142262 /nfs/dbraw/zinc/14/22/62/384142262.db2.gz WXTJSLOJEPUFAZ-OAHLLOKOSA-N 0 3 291.439 2.635 20 30 CFEDHN C=CCN1CCC(Nc2nc3ccccc3cc2CO)CC1 ZINC000266417100 384170808 /nfs/dbraw/zinc/17/08/08/384170808.db2.gz RMYKMHLRYPPANJ-UHFFFAOYSA-N 0 3 297.402 2.789 20 30 CFEDHN C=CCN1CCC(Nc2nccc3occc32)CC1 ZINC000266456583 384178538 /nfs/dbraw/zinc/17/85/38/384178538.db2.gz YCPDLZDBSUFGAR-UHFFFAOYSA-N 0 3 257.337 2.890 20 30 CFEDHN C#CCCN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000268697089 533043994 /nfs/dbraw/zinc/04/39/94/533043994.db2.gz IYYPNYKABKBAGL-CQSZACIVSA-N 0 3 258.365 2.749 20 30 CFEDHN C#CCCCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000277118570 384206421 /nfs/dbraw/zinc/20/64/21/384206421.db2.gz NDTXVUJTYZEXSG-UHFFFAOYSA-N 0 3 298.430 2.913 20 30 CFEDHN C#CCN(CC)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000266941293 384266670 /nfs/dbraw/zinc/26/66/70/384266670.db2.gz RFDRNYYBAHKJQI-UHFFFAOYSA-N 0 3 294.782 2.632 20 30 CFEDHN CN(C)[C@]1(CNc2c(F)cc(C#N)cc2F)CCSC1 ZINC000267084415 384295171 /nfs/dbraw/zinc/29/51/71/384295171.db2.gz KZKXBBLUZPLZHI-AWEZNQCLSA-N 0 3 297.374 2.686 20 30 CFEDHN CC(C)OCCN1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000267108744 384301327 /nfs/dbraw/zinc/30/13/27/384301327.db2.gz YDWOXEXDDWDZKZ-UHFFFAOYSA-N 0 3 287.407 2.860 20 30 CFEDHN C=CCN1CCC(Nc2ccncc2Cl)CC1 ZINC000267380866 384373697 /nfs/dbraw/zinc/37/36/97/384373697.db2.gz LJWSZRVHLKGCFC-UHFFFAOYSA-N 0 3 251.761 2.797 20 30 CFEDHN C[C@H]1CN(CCCNc2ccc(C#N)cc2F)CCCO1 ZINC000277585770 384345586 /nfs/dbraw/zinc/34/55/86/384345586.db2.gz CDFFDIFHUXPHJR-ZDUSSCGKSA-N 0 3 291.370 2.610 20 30 CFEDHN C[C@H](Cn1cccn1)NCC#Cc1ccc(Cl)cc1 ZINC000267369916 384371140 /nfs/dbraw/zinc/37/11/40/384371140.db2.gz JXRZSDNIESHEMV-CYBMUJFWSA-N 0 3 273.767 2.566 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CC(C)(F)F)C(C)C ZINC000277516023 384324316 /nfs/dbraw/zinc/32/43/16/384324316.db2.gz OMDIEPMLQZPZBP-CYBMUJFWSA-N 0 3 288.382 2.847 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC(C)(F)F)C(C)C ZINC000277516026 384325137 /nfs/dbraw/zinc/32/51/37/384325137.db2.gz OMDIEPMLQZPZBP-ZDUSSCGKSA-N 0 3 288.382 2.847 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1ccc(OC)c(C#N)c1 ZINC000277739350 384391883 /nfs/dbraw/zinc/39/18/83/384391883.db2.gz KQOIZGAGBXOCGC-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN C=CCN(C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000642233787 384415813 /nfs/dbraw/zinc/41/58/13/384415813.db2.gz IZLKIUBAGWIIHF-GJZGRUSLSA-N 0 3 253.386 2.613 20 30 CFEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H](C)[C@H](C)C1 ZINC000267853321 384478905 /nfs/dbraw/zinc/47/89/05/384478905.db2.gz WUKQCNRCGYEUBV-OWCLPIDISA-N 0 3 299.418 2.910 20 30 CFEDHN C=CCN(CCc1ccccc1)CCC1OCCCO1 ZINC000267910104 384488981 /nfs/dbraw/zinc/48/89/81/384488981.db2.gz FXRYBKLZLRVIIU-UHFFFAOYSA-N 0 3 275.392 2.870 20 30 CFEDHN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccc(OC)cc1)C(C)C ZINC000289352301 197308039 /nfs/dbraw/zinc/30/80/39/197308039.db2.gz JIEJEMREGDFLCI-BBRMVZONSA-N 0 3 288.391 2.660 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](c1cccs1)C(C)(C)CO ZINC000289358182 197310762 /nfs/dbraw/zinc/31/07/62/197310762.db2.gz NWXSVSXXLBCSCC-TZMCWYRMSA-N 0 3 283.437 2.724 20 30 CFEDHN CN(Cc1ccccc1C#N)C1CCC(CO)CC1 ZINC000268321997 384602587 /nfs/dbraw/zinc/60/25/87/384602587.db2.gz KIAHAXMDVXDKAZ-UHFFFAOYSA-N 0 3 258.365 2.541 20 30 CFEDHN CCOC(=O)[C@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000279366613 384614567 /nfs/dbraw/zinc/61/45/67/384614567.db2.gz WTOCLKLKFAFUSX-OLZOCXBDSA-N 0 3 293.794 2.869 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000279366621 384614584 /nfs/dbraw/zinc/61/45/84/384614584.db2.gz WTOCLKLKFAFUSX-STQMWFEESA-N 0 3 293.794 2.869 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC(C)(C)C#N ZINC000278686328 384592420 /nfs/dbraw/zinc/59/24/20/384592420.db2.gz DTFKWMPPTHHZJK-GDBMZVCRSA-N 0 3 299.418 2.563 20 30 CFEDHN C[C@H](Cn1cccn1)NCc1ccccc1C(C)(C)C#N ZINC000268941075 384698427 /nfs/dbraw/zinc/69/84/27/384698427.db2.gz BISKJSWKAHWZEZ-CQSZACIVSA-N 0 3 282.391 2.863 20 30 CFEDHN C=CC[C@@H](C)NCc1cnn2cc(Br)cnc12 ZINC000638608959 384781092 /nfs/dbraw/zinc/78/10/92/384781092.db2.gz GYTVQYQLKOKTSG-SECBINFHSA-N 0 3 295.184 2.546 20 30 CFEDHN COC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000269582098 384795602 /nfs/dbraw/zinc/79/56/02/384795602.db2.gz HDXPUOZOUFUZTM-CQSZACIVSA-N 0 3 263.768 2.660 20 30 CFEDHN N#Cc1cccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000269740738 384859605 /nfs/dbraw/zinc/85/96/05/384859605.db2.gz WZVQRSIUYHPIMV-KRWDZBQOSA-N 0 3 297.402 2.581 20 30 CFEDHN CN(C)[C@@H](CNc1cnccc1C#N)c1ccccc1 ZINC000269924380 384905574 /nfs/dbraw/zinc/90/55/74/384905574.db2.gz BJDORZPNIIGOOZ-INIZCTEOSA-N 0 3 266.348 2.668 20 30 CFEDHN COc1ccc(CNCC(C)(C)[C@@H](O)C(C)C)cc1C#N ZINC000269935376 384911022 /nfs/dbraw/zinc/91/10/22/384911022.db2.gz NVCDJMWRIGGMGK-INIZCTEOSA-N 0 3 290.407 2.700 20 30 CFEDHN Cc1cnccc1CCNCc1ccc(C#N)cc1F ZINC000269977594 384927457 /nfs/dbraw/zinc/92/74/57/384927457.db2.gz MLNTUNZRRVLRHW-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CNCC=C(C)C ZINC000644631180 384969011 /nfs/dbraw/zinc/96/90/11/384969011.db2.gz IYZSTEPOGUFKCQ-MRXNPFEDSA-N 0 3 275.392 2.711 20 30 CFEDHN C#CC[C@H](NC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000270154280 384995226 /nfs/dbraw/zinc/99/52/26/384995226.db2.gz WHMZGZPWJADKJZ-KRWDZBQOSA-N 0 3 299.418 2.536 20 30 CFEDHN C#Cc1ccc(CNCCC(=O)NC2CCCCC2)cc1 ZINC000289268118 197280302 /nfs/dbraw/zinc/28/03/02/197280302.db2.gz NFECLQRGXFPVSK-UHFFFAOYSA-N 0 3 284.403 2.597 20 30 CFEDHN C=CCOc1cccc(CNCC2([S@](C)=O)CCC2)c1 ZINC000280587411 385071767 /nfs/dbraw/zinc/07/17/67/385071767.db2.gz IDSJTBKJLRFBSW-FQEVSTJZSA-N 0 3 293.432 2.642 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000638910848 385026608 /nfs/dbraw/zinc/02/66/08/385026608.db2.gz VSNZCSLYPFHNTM-UHFFFAOYSA-N 0 3 285.391 2.948 20 30 CFEDHN C[C@H](CNC(=O)c1ccc(CC#N)cc1)N1CCC[C@@H](C)C1 ZINC000270299548 385045867 /nfs/dbraw/zinc/04/58/67/385045867.db2.gz YURXPTDIKWBMCA-HUUCEWRRSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](C)c1cscn1 ZINC000280706403 385120467 /nfs/dbraw/zinc/12/04/67/385120467.db2.gz CXANNTOOTJGRND-GVXVVHGQSA-N 0 3 252.383 2.775 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000280660710 385103591 /nfs/dbraw/zinc/10/35/91/385103591.db2.gz PAHFWGOZZNHYPV-AAEUAGOBSA-N 0 3 282.365 2.727 20 30 CFEDHN C=CCOc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000270566191 385149246 /nfs/dbraw/zinc/14/92/46/385149246.db2.gz RYIPCMBFHWDMHS-CYBMUJFWSA-N 0 3 289.297 2.654 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](C)c1ccc(F)cn1 ZINC000280800547 385158504 /nfs/dbraw/zinc/15/85/04/385158504.db2.gz KOGFZLCUAHXPTC-ZOWXZIJZSA-N 0 3 264.344 2.853 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000347119373 533107136 /nfs/dbraw/zinc/10/71/36/533107136.db2.gz WUXBCIHCGINNTN-ZDUSSCGKSA-N 0 3 256.349 2.975 20 30 CFEDHN N#Cc1ccc(CN[C@H](CCO)C2CCCCC2)o1 ZINC000270598500 385161353 /nfs/dbraw/zinc/16/13/53/385161353.db2.gz ADMWXOXGZWNHRI-OAHLLOKOSA-N 0 3 262.353 2.572 20 30 CFEDHN CC(C#N)C(=O)N(C)CCc1ccc(Br)cc1 ZINC000347141324 533107655 /nfs/dbraw/zinc/10/76/55/533107655.db2.gz VENKAKMHQLNHMR-JTQLQIEISA-N 0 3 295.180 2.610 20 30 CFEDHN C#CCCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000270635500 385171193 /nfs/dbraw/zinc/17/11/93/385171193.db2.gz QZPULYAKJOVXPL-QGZVFWFLSA-N 0 3 273.376 2.700 20 30 CFEDHN C=CCCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280930901 385180047 /nfs/dbraw/zinc/18/00/47/385180047.db2.gz VCZCYLHVRLHWJD-ZFWWWQNUSA-N 0 3 281.421 2.635 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@@H](c3ccccc3)C[C@H]2C)C1=O ZINC000282138437 385222725 /nfs/dbraw/zinc/22/27/25/385222725.db2.gz ZHZNYXCJXHRGCN-PVAVHDDUSA-N 0 3 284.403 2.651 20 30 CFEDHN CC[C@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)cc1 ZINC000282139694 385224594 /nfs/dbraw/zinc/22/45/94/385224594.db2.gz BZYNKKUYYPWSSK-IFXJQAMLSA-N 0 3 276.405 2.510 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cc(C2CC2)no1 ZINC000639144056 385246364 /nfs/dbraw/zinc/24/63/64/385246364.db2.gz GIPBKVKEDQYXBM-WFASDCNBSA-N 0 3 262.353 2.623 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000271016357 385303443 /nfs/dbraw/zinc/30/34/43/385303443.db2.gz IKUPNCWEHWBWGM-HNNXBMFYSA-N 0 3 296.374 2.670 20 30 CFEDHN COc1cc(CN2CC[C@H](OC)C[C@@H]2C)ccc1C#N ZINC000282328257 385283520 /nfs/dbraw/zinc/28/35/20/385283520.db2.gz OASBZTGMFPXCMN-WFASDCNBSA-N 0 3 274.364 2.566 20 30 CFEDHN C=CCCOCCNCc1ccc(-c2cnn(C)c2)s1 ZINC000282370333 385295286 /nfs/dbraw/zinc/29/52/86/385295286.db2.gz YCZBCEMNNIIASI-UHFFFAOYSA-N 0 3 291.420 2.831 20 30 CFEDHN C#CCCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000271074728 385329512 /nfs/dbraw/zinc/32/95/12/385329512.db2.gz WNZUTVIUBGJDDI-MRXNPFEDSA-N 0 3 270.376 2.527 20 30 CFEDHN CC(C#N)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000345063894 533114103 /nfs/dbraw/zinc/11/41/03/533114103.db2.gz REFSFIVAYXLUOI-NSHDSACASA-N 0 3 285.372 2.628 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1ccccc1C#N ZINC000271134383 385347271 /nfs/dbraw/zinc/34/72/71/385347271.db2.gz BMEWDHHRWJBMFX-INIZCTEOSA-N 0 3 258.365 2.685 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000347099556 533115998 /nfs/dbraw/zinc/11/59/98/533115998.db2.gz DUYHJMRMMRGOFO-UWVGGRQHSA-N 0 3 284.281 2.912 20 30 CFEDHN N#Cc1ccc(CN2CCC(c3ncc[nH]3)CC2)s1 ZINC000271203746 385375153 /nfs/dbraw/zinc/37/51/53/385375153.db2.gz RHYPPAUTGJSFNI-UHFFFAOYSA-N 0 3 272.377 2.722 20 30 CFEDHN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000271416900 385381734 /nfs/dbraw/zinc/38/17/34/385381734.db2.gz AYDZBJHWBDXPQK-OLZOCXBDSA-N 0 3 284.363 2.734 20 30 CFEDHN C[C@@H](NCCCSCC#N)c1ccccc1[N+](=O)[O-] ZINC000271771249 385391446 /nfs/dbraw/zinc/39/14/46/385391446.db2.gz QOYJLYOYBRJIMI-LLVKDONJSA-N 0 3 279.365 2.892 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)Nc1cccc(C#N)n1 ZINC000271802257 385392416 /nfs/dbraw/zinc/39/24/16/385392416.db2.gz KWSKKUKOHZWYFT-AWEZNQCLSA-N 0 3 280.375 2.886 20 30 CFEDHN CC[C@H](C)[C@H](O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271951077 385409301 /nfs/dbraw/zinc/40/93/01/385409301.db2.gz OQSDILZAENXVME-ZIBATOQPSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271957580 385411408 /nfs/dbraw/zinc/41/14/08/385411408.db2.gz QMQDFQSMWVLJPC-TYNCELHUSA-N 0 3 292.354 2.542 20 30 CFEDHN C[C@H](N[C@@H]1CCSC1)c1ccc(C#N)c(F)c1 ZINC000271975891 385417042 /nfs/dbraw/zinc/41/70/42/385417042.db2.gz VQEWHJGLQXWALL-JOYOIKCWSA-N 0 3 250.342 2.853 20 30 CFEDHN C#CCN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272181444 385467564 /nfs/dbraw/zinc/46/75/64/385467564.db2.gz CUZHPBHUMPWCMW-AWEZNQCLSA-N 0 3 272.396 2.665 20 30 CFEDHN C#CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272181444 385467568 /nfs/dbraw/zinc/46/75/68/385467568.db2.gz CUZHPBHUMPWCMW-AWEZNQCLSA-N 0 3 272.396 2.665 20 30 CFEDHN N#Cc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000286233940 385575640 /nfs/dbraw/zinc/57/56/40/385575640.db2.gz RMBZTMSJYHMEJV-IAQYHMDHSA-N 0 3 278.783 2.852 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000285817738 385557865 /nfs/dbraw/zinc/55/78/65/385557865.db2.gz WWXDIFLSFYSPDB-UWWQBHOKSA-N 0 3 299.418 2.705 20 30 CFEDHN CC1(C#N)CCN(CC[C@@H](O)c2ccccc2)CC1 ZINC000285804028 385558031 /nfs/dbraw/zinc/55/80/31/385558031.db2.gz YVZUPDNJBLXNHY-OAHLLOKOSA-N 0 3 258.365 2.736 20 30 CFEDHN C#CCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000272601981 385573963 /nfs/dbraw/zinc/57/39/63/385573963.db2.gz YPBMQDYUWMSIRU-UHFFFAOYSA-N 0 3 271.286 2.562 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000286340995 385594197 /nfs/dbraw/zinc/59/41/97/385594197.db2.gz LZEIOODASFTFIN-CXAGYDPISA-N 0 3 297.402 2.824 20 30 CFEDHN Cc1nsc(NC[C@@H](C)CN2CCCCC2)c1C#N ZINC000286423756 385616110 /nfs/dbraw/zinc/61/61/10/385616110.db2.gz PJKFILNLNKCCDA-LLVKDONJSA-N 0 3 278.425 2.857 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc(F)c(C#N)c1 ZINC000286570848 385653550 /nfs/dbraw/zinc/65/35/50/385653550.db2.gz PQDNSTVFGOUHCZ-OPSGJAGASA-N 0 3 286.350 2.553 20 30 CFEDHN Cc1cc(C#N)nc(NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000286613373 385665822 /nfs/dbraw/zinc/66/58/22/385665822.db2.gz BYLLUHLLNFEPKM-CQSZACIVSA-N 0 3 295.390 2.589 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2OC[C@H]1C ZINC000272947915 385663352 /nfs/dbraw/zinc/66/33/52/385663352.db2.gz MAQABICXOCQWAX-HIFRSBDPSA-N 0 3 261.365 2.597 20 30 CFEDHN CN1CCN(CC#Cc2ccccc2)C[C@@H]1C(C)(C)C ZINC000639747962 385693185 /nfs/dbraw/zinc/69/31/85/385693185.db2.gz 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/nfs/dbraw/zinc/94/71/94/385947194.db2.gz PITKQWMSMWZWQG-IAGOWNOFSA-N 0 3 286.419 2.899 20 30 CFEDHN C=CCC[C@@H](C(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000275190016 385954670 /nfs/dbraw/zinc/95/46/70/385954670.db2.gz YIIDPAJQUXOXBA-QGZVFWFLSA-N 0 3 286.419 2.947 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000275260270 385966248 /nfs/dbraw/zinc/96/62/48/385966248.db2.gz RWIKYCKRLIOQQS-GJZGRUSLSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(F)c(C#N)c1 ZINC000277016287 386107308 /nfs/dbraw/zinc/10/73/08/386107308.db2.gz QIAJVAXYUFDIPY-GJZGRUSLSA-N 0 3 262.328 2.745 20 30 CFEDHN CC(C)Oc1ccc(CNCc2cc(C#N)n(C)c2)cc1 ZINC000276885614 386070364 /nfs/dbraw/zinc/07/03/64/386070364.db2.gz CMIIAIKIZBWGBK-UHFFFAOYSA-N 0 3 283.375 2.974 20 30 CFEDHN C#CCCN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000277107786 386130922 /nfs/dbraw/zinc/13/09/22/386130922.db2.gz UUFYGCKMEWLUEQ-KGLIPLIRSA-N 0 3 267.731 2.922 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc2ncsc2c1 ZINC000681598812 542467564 /nfs/dbraw/zinc/46/75/64/542467564.db2.gz ZDMLSPQVXFLGLM-GWCFXTLKSA-N 0 3 262.378 2.884 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H](C)Cc2ccccc2)C1=O ZINC000281263219 195171820 /nfs/dbraw/zinc/17/18/20/195171820.db2.gz NIDCYYIKYQBRAN-RDJZCZTQSA-N 0 3 286.419 2.584 20 30 CFEDHN OCC[C@H]1CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000286022960 285266327 /nfs/dbraw/zinc/26/63/27/285266327.db2.gz HMPMTANQGOMMGI-ZBFHGGJFSA-N 0 3 277.795 2.832 20 30 CFEDHN OCC[C@H]1CCCCN1CC#Cc1ccc(Cl)cc1 ZINC000267335616 285266458 /nfs/dbraw/zinc/26/64/58/285266458.db2.gz BBYKEMOYWBPDJX-MRXNPFEDSA-N 0 3 277.795 2.928 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@H](c3cccc(C)c3)C2)C1=O ZINC000281363133 195211921 /nfs/dbraw/zinc/21/19/21/195211921.db2.gz NZVSPSRXRPNLRJ-DLBZAZTESA-N 0 3 284.403 2.571 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)c2cccc(C)c2C)C1=O ZINC000281380069 195218233 /nfs/dbraw/zinc/21/82/33/195218233.db2.gz YVDMKVARNVDSDF-ZBFHGGJFSA-N 0 3 272.392 2.741 20 30 CFEDHN CC[C@@](C)(O)CN(CCCC#N)Cc1ccccc1 ZINC000189730470 262175371 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ZINC000281560650 195288858 /nfs/dbraw/zinc/28/88/58/195288858.db2.gz DACQZAQXRGTIJV-GFCCVEGCSA-N 0 3 272.348 2.552 20 30 CFEDHN C#CCSCCN[C@@H](c1cncc(F)c1)C1CC1 ZINC000281704778 195345331 /nfs/dbraw/zinc/34/53/31/195345331.db2.gz SZFAYQJTEAHIFT-CQSZACIVSA-N 0 3 264.369 2.628 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@H](C)C1(OC)CCC1 ZINC000412027485 533269678 /nfs/dbraw/zinc/26/96/78/533269678.db2.gz VLNISKDIEUVFID-GFCCVEGCSA-N 0 3 274.364 2.614 20 30 CFEDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1nccc(C#N)c1Cl ZINC000341840586 130085463 /nfs/dbraw/zinc/08/54/63/130085463.db2.gz HLXDQYBURAHFKR-VXGBXAGGSA-N 0 3 292.814 2.561 20 30 CFEDHN N#Cc1cc(CN2CCCCC[C@@H]2CCO)ccc1F ZINC000342022847 130205883 /nfs/dbraw/zinc/20/58/83/130205883.db2.gz PXZUNIJTBQRUEV-OAHLLOKOSA-N 0 3 276.355 2.824 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cc(C#N)n(C)c1 ZINC000191616775 130263520 /nfs/dbraw/zinc/26/35/20/130263520.db2.gz NOMBJDWMELOOFW-HOTGVXAUSA-N 0 3 275.396 2.580 20 30 CFEDHN COc1ccc(CN2CCSCC[C@H]2C)cc1C#N ZINC000191816244 130310953 /nfs/dbraw/zinc/31/09/53/130310953.db2.gz VTOGYXXOJPNXCW-GFCCVEGCSA-N 0 3 276.405 2.894 20 30 CFEDHN CCCN(CCN1CCCC1)C(=O)c1cccc(C#N)c1C ZINC000342183772 130318179 /nfs/dbraw/zinc/31/81/79/130318179.db2.gz RCQKBFOSWUCBPK-UHFFFAOYSA-N 0 3 299.418 2.815 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000191928538 130331707 /nfs/dbraw/zinc/33/17/07/130331707.db2.gz JTWVTJQJTKBTQV-KRWDZBQOSA-N 0 3 284.403 2.571 20 30 CFEDHN C(#Cc1ccccc1)CN(C[C@H]1CCOC1)C1CC1 ZINC000191937882 130332908 /nfs/dbraw/zinc/33/29/08/130332908.db2.gz RJMBNIGMVNLEQY-MRXNPFEDSA-N 0 3 255.361 2.539 20 30 CFEDHN CC[C@]1(NCC#Cc2ccc(Cl)cc2)CCOC1 ZINC000683044549 542634780 /nfs/dbraw/zinc/63/47/80/542634780.db2.gz TWGIPPXKRUCPQL-HNNXBMFYSA-N 0 3 263.768 2.850 20 30 CFEDHN COc1ccc(CN2CCS[C@@H](C)CC2)cc1C#N ZINC000192184961 130390872 /nfs/dbraw/zinc/39/08/72/130390872.db2.gz SWMYZNPBHDOYQI-LBPRGKRZSA-N 0 3 276.405 2.894 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)c1cccs1 ZINC000248000757 131108773 /nfs/dbraw/zinc/10/87/73/131108773.db2.gz NRHLMQLKGSADND-GFCCVEGCSA-N 0 3 272.377 2.730 20 30 CFEDHN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000248357316 131114931 /nfs/dbraw/zinc/11/49/31/131114931.db2.gz PIRDSOODZDSKAT-NEPJUHHUSA-N 0 3 282.347 2.839 20 30 CFEDHN C=CCC[C@H](O)CN1CCc2sccc2[C@@H]1C ZINC000268530498 132022714 /nfs/dbraw/zinc/02/27/14/132022714.db2.gz FLDSRODYTPLYCE-RYUDHWBXSA-N 0 3 251.395 2.994 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](c2ccccc2F)C1 ZINC000268567428 132027925 /nfs/dbraw/zinc/02/79/25/132027925.db2.gz QKXSSWLCWJJICC-KBPBESRZSA-N 0 3 263.356 2.942 20 30 CFEDHN C=CCC[C@@H](O)CN(CC)Cc1ccc(OC)c(OC)c1 ZINC000268655238 132043646 /nfs/dbraw/zinc/04/36/46/132043646.db2.gz PXVVGKQLLWRLKZ-OAHLLOKOSA-N 0 3 293.407 2.853 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000269422074 132168495 /nfs/dbraw/zinc/16/84/95/132168495.db2.gz LZUWECVRIOEYSD-CQSZACIVSA-N 0 3 274.339 2.889 20 30 CFEDHN C=CCC[C@H](NCCS(=O)(=O)CC)c1ccccc1 ZINC000269442059 132171187 /nfs/dbraw/zinc/17/11/87/132171187.db2.gz SWBXQJXAAQFTNU-HNNXBMFYSA-N 0 3 281.421 2.718 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)Nc2nccs2)n1 ZINC000179475840 393467859 /nfs/dbraw/zinc/46/78/59/393467859.db2.gz DROWSLVLLLTKMD-QMMMGPOBSA-N 0 3 292.389 2.969 20 30 CFEDHN C#CCC1(C(=O)N2CCCN(CC)CC2)CCCCC1 ZINC000373763478 393471504 /nfs/dbraw/zinc/47/15/04/393471504.db2.gz QCOGINXKIMKUQC-UHFFFAOYSA-N 0 3 276.424 2.514 20 30 CFEDHN CN(CC#Cc1ccccc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000373817586 393472689 /nfs/dbraw/zinc/47/26/89/393472689.db2.gz AVGIDRKKHNOXAG-GVDBMIGSSA-N 0 3 269.388 2.783 20 30 CFEDHN C#CCCCC(=O)NC[C@H]1CCN(C)[C@H]1c1cccs1 ZINC000373794548 393473500 /nfs/dbraw/zinc/47/35/00/393473500.db2.gz HXDQIQQYJKITRM-CZUORRHYSA-N 0 3 290.432 2.661 20 30 CFEDHN N#CC1(NC(=O)CN2CCC[C@H]2C2CCC2)CCCCC1 ZINC000373969506 393477172 /nfs/dbraw/zinc/47/71/72/393477172.db2.gz CUSVVXWHEDDWQW-HNNXBMFYSA-N 0 3 289.423 2.594 20 30 CFEDHN C[C@H]1COCC[C@@H]1NCc1ccc(C#N)cc1Cl ZINC000305855782 393504198 /nfs/dbraw/zinc/50/41/98/393504198.db2.gz DVQPCAZYCBFWQP-HZMBPMFUSA-N 0 3 264.756 2.726 20 30 CFEDHN C=CCCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182799124 393513817 /nfs/dbraw/zinc/51/38/17/393513817.db2.gz YWWLAMAAAHKFKU-KRWDZBQOSA-N 0 3 297.402 2.952 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC)c(OCC(=C)C)c1 ZINC000184266655 393525884 /nfs/dbraw/zinc/52/58/84/393525884.db2.gz PEGAHPVYGNHXCO-OAHLLOKOSA-N 0 3 291.391 2.677 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OCC)c(OCC)c1 ZINC000184272921 393526246 /nfs/dbraw/zinc/52/62/46/393526246.db2.gz ZSDBVIXTLSIEMQ-AWEZNQCLSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(OCc2ccncc2)cc1 ZINC000184261770 393526487 /nfs/dbraw/zinc/52/64/87/393526487.db2.gz HOKASVAERJANMO-KRWDZBQOSA-N 0 3 298.386 2.687 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000320604562 393529502 /nfs/dbraw/zinc/52/95/02/393529502.db2.gz DRJCVERFNXGVFM-OLZOCXBDSA-N 0 3 279.380 2.682 20 30 CFEDHN C=CCSCCNCc1ccc(OC)cc1OC ZINC000222061620 413066309 /nfs/dbraw/zinc/06/63/09/413066309.db2.gz RSTGQODHOARQBX-UHFFFAOYSA-N 0 3 267.394 2.713 20 30 CFEDHN CC(C)(C)[C@@H](CO)NCc1ccc(C#N)cc1Cl ZINC000393964420 393594808 /nfs/dbraw/zinc/59/48/08/393594808.db2.gz LHBKZGSWVOSEFR-CYBMUJFWSA-N 0 3 266.772 2.708 20 30 CFEDHN CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CCOC1 ZINC000398826740 393598275 /nfs/dbraw/zinc/59/82/75/393598275.db2.gz AGAPWNODDJJAKG-LBPRGKRZSA-N 0 3 264.756 2.680 20 30 CFEDHN C=C(C)COc1cc(CNC[C@@H](C)OC)ccc1OC ZINC000191151408 393589713 /nfs/dbraw/zinc/58/97/13/393589713.db2.gz KGTARHISRIXFKU-CYBMUJFWSA-N 0 3 279.380 2.775 20 30 CFEDHN CCC1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000048907997 393607635 /nfs/dbraw/zinc/60/76/35/393607635.db2.gz TVIMMBQBEGXNBK-INIZCTEOSA-N 0 3 258.365 2.714 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc(Br)cc1F ZINC000334298294 393591606 /nfs/dbraw/zinc/59/16/06/393591606.db2.gz NWMXHDBWKCFMLY-YUMQZZPRSA-N 0 3 299.143 2.925 20 30 CFEDHN N#Cc1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000049752544 393615026 /nfs/dbraw/zinc/61/50/26/393615026.db2.gz SILBSJOQRYURDQ-UHFFFAOYSA-N 0 3 266.344 2.553 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1nc(C)sc1C ZINC000411643184 393733871 /nfs/dbraw/zinc/73/38/71/393733871.db2.gz OUNFMNJYKRWZAI-UHFFFAOYSA-N 0 3 267.442 2.700 20 30 CFEDHN C=CCN(C)CCN(CC)C[C@H](OC)c1ccccc1 ZINC000411646982 393735210 /nfs/dbraw/zinc/73/52/10/393735210.db2.gz NGXWVZHTFPAKCE-KRWDZBQOSA-N 0 3 276.424 2.814 20 30 CFEDHN COCCN(CCC1(C#N)CCCCC1)[C@H]1CCO[C@@H]1C ZINC000411658044 393736152 /nfs/dbraw/zinc/73/61/52/393736152.db2.gz VWIRMVLGEATKAH-CVEARBPZSA-N 0 3 294.439 2.976 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@H]3COCC[C@H]32)cc1 ZINC000336495366 393738020 /nfs/dbraw/zinc/73/80/20/393738020.db2.gz UYWHSLJFBOMUJN-DOTOQJQBSA-N 0 3 273.351 2.678 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000411696567 393739296 /nfs/dbraw/zinc/73/92/96/393739296.db2.gz UQAUKDCGSOSEQY-NVXWUHKLSA-N 0 3 272.392 2.705 20 30 CFEDHN CC[C@H](C)CN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083171438 393742165 /nfs/dbraw/zinc/74/21/65/393742165.db2.gz FUIKOYLDRLCUMN-WCQYABFASA-N 0 3 291.420 2.703 20 30 CFEDHN CC(C)N(C)C(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000411753023 393746255 /nfs/dbraw/zinc/74/62/55/393746255.db2.gz FAPVRBYGXYORMI-MRXNPFEDSA-N 0 3 287.407 2.878 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000411818685 393751648 /nfs/dbraw/zinc/75/16/48/393751648.db2.gz PNJFJGPHHLWEMZ-IUODEOHRSA-N 0 3 266.385 2.732 20 30 CFEDHN CC/C=C(\C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000209831673 393752997 /nfs/dbraw/zinc/75/29/97/393752997.db2.gz PEWDGVMAQYWEJT-VIZOYTHASA-N 0 3 299.418 2.805 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000335948927 393710157 /nfs/dbraw/zinc/71/01/57/393710157.db2.gz VKJAPXQJFXRNCJ-SNVBAGLBSA-N 0 3 262.740 2.995 20 30 CFEDHN C=C(C)CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009203 393760018 /nfs/dbraw/zinc/76/00/18/393760018.db2.gz NFGNTHOGMJLUFO-INIZCTEOSA-N 0 3 275.392 2.683 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411991135 393760111 /nfs/dbraw/zinc/76/01/11/393760111.db2.gz UBKGUFQDTMJQMR-WBVHZDCISA-N 0 3 298.430 2.947 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)CC1(CO)CC1 ZINC000411615288 393730274 /nfs/dbraw/zinc/73/02/74/393730274.db2.gz RQTLXJBDUQNBQF-UHFFFAOYSA-N 0 3 250.386 2.555 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2c(F)cccc2F)CCC1 ZINC000412602377 393770945 /nfs/dbraw/zinc/77/09/45/393770945.db2.gz OJMNLCQYYTUPPA-SNVBAGLBSA-N 0 3 278.302 2.662 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000340044102 393835607 /nfs/dbraw/zinc/83/56/07/393835607.db2.gz YBQJYQHFANLCSN-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C[C@H](C#N)CN(C(=O)c1ccc(CN(C)C)cc1)C1CC1 ZINC000338390584 393786638 /nfs/dbraw/zinc/78/66/38/393786638.db2.gz VILJMQZEHAYUEZ-CYBMUJFWSA-N 0 3 285.391 2.512 20 30 CFEDHN COc1cc(CN[C@@H]2C[C@H]2C2CCC2)ccc1C#N ZINC000424187643 393789950 /nfs/dbraw/zinc/78/99/50/393789950.db2.gz AUJCZQUKBIHIEA-LSDHHAIUSA-N 0 3 256.349 2.845 20 30 CFEDHN CC#CCCN(Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338600291 393793450 /nfs/dbraw/zinc/79/34/50/393793450.db2.gz UFSOMFCXAQOGFN-UHFFFAOYSA-N 0 3 280.375 2.645 20 30 CFEDHN C=CCOCCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000338962699 393807063 /nfs/dbraw/zinc/80/70/63/393807063.db2.gz PQTZZIOMMIEYEK-CQSZACIVSA-N 0 3 275.348 2.755 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccccc1-n1cccn1 ZINC000339068941 393815285 /nfs/dbraw/zinc/81/52/85/393815285.db2.gz SISKOBAJVBQKIE-CQSZACIVSA-N 0 3 271.364 2.726 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000339082202 393816864 /nfs/dbraw/zinc/81/68/64/393816864.db2.gz STQMOBJIJJPLKH-BMFZPTHFSA-N 0 3 280.375 2.975 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000339093706 393817850 /nfs/dbraw/zinc/81/78/50/393817850.db2.gz DHAZGXDBHLVKQF-FRFSOERESA-N 0 3 268.360 2.810 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NCCN1CCC(C)CC1 ZINC000342847882 393871916 /nfs/dbraw/zinc/87/19/16/393871916.db2.gz KIHBPLZYJPDSNK-HNNXBMFYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCCN1CC ZINC000342984426 393876353 /nfs/dbraw/zinc/87/63/53/393876353.db2.gz ASCIHPUYHSEBTI-LSDHHAIUSA-N 0 3 281.444 2.905 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000426959487 393891039 /nfs/dbraw/zinc/89/10/39/393891039.db2.gz JLMWUMUSDHJTEO-RGCMKSIDSA-N 0 3 256.349 2.939 20 30 CFEDHN C=CCC[C@H](NC[C@@]1(CCO)CCOC1)c1ccco1 ZINC000428464534 393897950 /nfs/dbraw/zinc/89/79/50/393897950.db2.gz XRWCWNNSXXCXRZ-GOEBONIOSA-N 0 3 279.380 2.666 20 30 CFEDHN CN(CCCC(=O)OC(C)(C)C)CCC(C)(C)C#N ZINC000345717951 393914038 /nfs/dbraw/zinc/91/40/38/393914038.db2.gz VBQIUVARLSGXPQ-UHFFFAOYSA-N 0 3 268.401 2.980 20 30 CFEDHN CC(C)N(C)C(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345720716 393915350 /nfs/dbraw/zinc/91/53/50/393915350.db2.gz ZOZGWYLSRANMFK-UHFFFAOYSA-N 0 3 279.428 2.505 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000345766618 393916723 /nfs/dbraw/zinc/91/67/23/393916723.db2.gz AGIORWKIJQEMLW-DTWKUNHWSA-N 0 3 265.382 2.777 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000346222981 393923892 /nfs/dbraw/zinc/92/38/92/393923892.db2.gz PJMZVZUNEHIJDA-JTNHKYCSSA-N 0 3 260.312 2.895 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCC1CCCCC1 ZINC000346261638 393924462 /nfs/dbraw/zinc/92/44/62/393924462.db2.gz NIENFFNSPSNREQ-AWEZNQCLSA-N 0 3 291.439 2.840 20 30 CFEDHN Cc1ccc(C)c([C@@H]2CN(C(=O)C(C)C#N)[C@@H](C)CO2)c1 ZINC000346327623 393926615 /nfs/dbraw/zinc/92/66/15/393926615.db2.gz JKOLDJZLWDITEF-YCPHGPKFSA-N 0 3 286.375 2.752 20 30 CFEDHN CC(C)C[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346385289 393928110 /nfs/dbraw/zinc/92/81/10/393928110.db2.gz MZYTXXOGDAKGKP-GJZGRUSLSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H](CO)N(Cc1cccc(C#N)c1F)C1CCCC1 ZINC000347161046 393937725 /nfs/dbraw/zinc/93/77/25/393937725.db2.gz GYJHANXOJNZUET-LBPRGKRZSA-N 0 3 276.355 2.823 20 30 CFEDHN CC[C@H](Cn1cncn1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000417369847 393951723 /nfs/dbraw/zinc/95/17/23/393951723.db2.gz RSNIZCJFZVCLQV-NVXWUHKLSA-N 0 3 295.390 2.596 20 30 CFEDHN CC[C@H](Cn1cncn1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000417369849 393952043 /nfs/dbraw/zinc/95/20/43/393952043.db2.gz RSNIZCJFZVCLQV-WBVHZDCISA-N 0 3 295.390 2.596 20 30 CFEDHN C=CCCCN(C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000121136907 393949526 /nfs/dbraw/zinc/94/95/26/393949526.db2.gz CAOZALCIKVEGFB-CYBMUJFWSA-N 0 3 264.413 2.674 20 30 CFEDHN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C(C)C#N ZINC000346180721 393922422 /nfs/dbraw/zinc/92/24/22/393922422.db2.gz DPWZSZNJWIJIGS-RYUDHWBXSA-N 0 3 284.363 2.954 20 30 CFEDHN N#Cc1ccc(CN[C@H](CO)CC2CCCCC2)cc1 ZINC000418132873 394017285 /nfs/dbraw/zinc/01/72/85/394017285.db2.gz ZPNFGBQQAZRPJR-KRWDZBQOSA-N 0 3 272.392 2.979 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCCC2)cc1 ZINC000418132874 394017306 /nfs/dbraw/zinc/01/73/06/394017306.db2.gz ZPNFGBQQAZRPJR-QGZVFWFLSA-N 0 3 272.392 2.979 20 30 CFEDHN COCC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000487871883 394027326 /nfs/dbraw/zinc/02/73/26/394027326.db2.gz JLMXQFNXNKTQFH-UHFFFAOYSA-N 0 3 258.365 2.725 20 30 CFEDHN C[C@]1(CCCO)CCCN1Cc1cc(C#N)cs1 ZINC000349156419 393963931 /nfs/dbraw/zinc/96/39/31/393963931.db2.gz XSMCIVSVVAHUGW-CQSZACIVSA-N 0 3 264.394 2.747 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H](c2nccn2C)C1 ZINC000349199040 393964901 /nfs/dbraw/zinc/96/49/01/393964901.db2.gz XNXJPTOMXGGJTG-MRXNPFEDSA-N 0 3 297.402 2.974 20 30 CFEDHN CC1(C)CN(CCOc2cccc(C#N)c2)CCS1 ZINC000122137945 393965306 /nfs/dbraw/zinc/96/53/06/393965306.db2.gz DRRSSPGYWVZZIB-UHFFFAOYSA-N 0 3 276.405 2.764 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H](SCC)C1 ZINC000350948385 393980159 /nfs/dbraw/zinc/98/01/59/393980159.db2.gz HYCIXIIVUPAOBB-OAHLLOKOSA-N 0 3 296.480 2.795 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000487189522 393988467 /nfs/dbraw/zinc/98/84/67/393988467.db2.gz ICENWIZEJIHUBK-PBHICJAKSA-N 0 3 299.418 2.651 20 30 CFEDHN C=C(C)CCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000351732082 394006743 /nfs/dbraw/zinc/00/67/43/394006743.db2.gz ZZAJDDWOMGRFGF-MNOVXSKESA-N 0 3 251.292 2.730 20 30 CFEDHN C=C(C)CCN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000352043296 394010437 /nfs/dbraw/zinc/01/04/37/394010437.db2.gz BYXRSOXXIYFWEA-CABCVRRESA-N 0 3 252.402 2.674 20 30 CFEDHN C=C[C@@H]1CCCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000489427896 394041248 /nfs/dbraw/zinc/04/12/48/394041248.db2.gz MZTNCJGIKIZEGN-MRXNPFEDSA-N 0 3 283.375 2.927 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000354199695 394043339 /nfs/dbraw/zinc/04/33/39/394043339.db2.gz HDOTULIUFSSAFR-HOCLYGCPSA-N 0 3 279.428 2.553 20 30 CFEDHN C#C[C@@H](CC)NC[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491418008 394049781 /nfs/dbraw/zinc/04/97/81/394049781.db2.gz PDDBLMXWBDRCEJ-KBPBESRZSA-N 0 3 285.309 2.914 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H](Cc2ccccc2)N(C)C)n1 ZINC000127521708 394051950 /nfs/dbraw/zinc/05/19/50/394051950.db2.gz UZWBXSXPUDUAPC-KRWDZBQOSA-N 0 3 294.402 2.847 20 30 CFEDHN CN(C)C[C@H]1CCCCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491507593 394052087 /nfs/dbraw/zinc/05/20/87/394052087.db2.gz TWSOFVJFRVJHQW-QXPKXGMISA-N 0 3 297.402 2.514 20 30 CFEDHN C#C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000281965461 394101719 /nfs/dbraw/zinc/10/17/19/394101719.db2.gz ITTWJPPSQMITPU-GOSISDBHSA-N 0 3 298.430 2.673 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccc(C)cn2)CC1 ZINC000492543505 394070991 /nfs/dbraw/zinc/07/09/91/394070991.db2.gz XEHXFROFDJWJBT-VOTSOKGWSA-N 0 3 299.418 2.560 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@@H]2CCCc3ccccc32)C1=O ZINC000281869205 394086463 /nfs/dbraw/zinc/08/64/63/394086463.db2.gz CDMFKSKIINMRGC-SJORKVTESA-N 0 3 284.403 2.783 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](c2ccccc2C)C2CC2)C1=O ZINC000281886366 394088980 /nfs/dbraw/zinc/08/89/80/394088980.db2.gz DLBWOGZANYQRFE-DLBZAZTESA-N 0 3 284.403 2.823 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H]1CCCC[C@H]1O ZINC000272486361 394029262 /nfs/dbraw/zinc/02/92/62/394029262.db2.gz HGEZYJHUHQNVDE-HZPDHXFCSA-N 0 3 258.365 2.541 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000358904396 394115241 /nfs/dbraw/zinc/11/52/41/394115241.db2.gz IUKRZMNKWWNNCT-OXHMUOHRSA-N 0 3 296.729 2.585 20 30 CFEDHN C=CCCCC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000359071043 394123049 /nfs/dbraw/zinc/12/30/49/394123049.db2.gz ONJLRZHZFYZJRY-MRXNPFEDSA-N 0 3 274.408 2.632 20 30 CFEDHN COCC(C)(C)NCc1ccc(C#N)cc1OC(F)F ZINC000439540927 394124293 /nfs/dbraw/zinc/12/42/93/394124293.db2.gz KWFVRNUIPPSGSJ-UHFFFAOYSA-N 0 3 284.306 2.674 20 30 CFEDHN C=CCNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282556049 394124701 /nfs/dbraw/zinc/12/47/01/394124701.db2.gz XTLBVRZLHSXABU-BJWYYQGGSA-N 0 3 284.403 2.699 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000359235116 394127848 /nfs/dbraw/zinc/12/78/48/394127848.db2.gz YVYQEYWIQFUQOG-ZNMIVQPWSA-N 0 3 281.444 2.903 20 30 CFEDHN CC[C@H](NCc1cnn(CCOC)c1)c1ccc(C#N)cc1 ZINC000282885345 394127936 /nfs/dbraw/zinc/12/79/36/394127936.db2.gz VXJSUKIWKOSTJT-KRWDZBQOSA-N 0 3 298.390 2.642 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000359452602 394134959 /nfs/dbraw/zinc/13/49/59/394134959.db2.gz AWXXSNNMGIPCKO-LBPRGKRZSA-N 0 3 286.366 2.579 20 30 CFEDHN CC(C#N)C(=O)N1CC(OCc2cccc3ccccc32)C1 ZINC000359537157 394136939 /nfs/dbraw/zinc/13/69/39/394136939.db2.gz YZDYUKJXUWHJEO-CYBMUJFWSA-N 0 3 294.354 2.727 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccncc2OCC(F)F)C1 ZINC000442862428 394140571 /nfs/dbraw/zinc/14/05/71/394140571.db2.gz ZZHIRZIXROSFHL-DGCLKSJQSA-N 0 3 295.333 2.897 20 30 CFEDHN C#CCN(CCCn1ccnc1C)Cc1ccccc1 ZINC000285812624 394149895 /nfs/dbraw/zinc/14/98/95/394149895.db2.gz VAPOSEUMCIWSAQ-UHFFFAOYSA-N 0 3 267.376 2.717 20 30 CFEDHN C[C@H](C(=O)NCC(C)(C)CCC#N)N1[C@H](C)CC[C@@H]1C ZINC000360427522 394152020 /nfs/dbraw/zinc/15/20/20/394152020.db2.gz VHRHBMNJWNKUNJ-HZSPNIEDSA-N 0 3 279.428 2.694 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000361158278 394166598 /nfs/dbraw/zinc/16/65/98/394166598.db2.gz ZFMGQSULXRCQME-CABCVRRESA-N 0 3 274.408 2.776 20 30 CFEDHN Cc1cc(C#N)nc(N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000286508212 394197598 /nfs/dbraw/zinc/19/75/98/394197598.db2.gz NJSGHLRDDZINSW-CQSZACIVSA-N 0 3 295.390 2.589 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364433865 394212373 /nfs/dbraw/zinc/21/23/73/394212373.db2.gz JEZYXXUXOHJWNH-QGZVFWFLSA-N 0 3 270.376 2.949 20 30 CFEDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000291636798 394251048 /nfs/dbraw/zinc/25/10/48/394251048.db2.gz LZPNBFICLAGTLX-QGZVFWFLSA-N 0 3 292.386 2.948 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)c(OC)c1C ZINC000286237855 394195543 /nfs/dbraw/zinc/19/55/43/394195543.db2.gz TXCBWLRHTJACIY-OLZOCXBDSA-N 0 3 279.380 2.600 20 30 CFEDHN CCC(CC)(CNCc1ccc(C#N)cc1F)OC ZINC000291826421 394267117 /nfs/dbraw/zinc/26/71/17/394267117.db2.gz ZSDUWDITNIVXDF-UHFFFAOYSA-N 0 3 264.344 2.992 20 30 CFEDHN OC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000293181988 394281256 /nfs/dbraw/zinc/28/12/56/394281256.db2.gz PTFVBCVJSSCTJP-HNNXBMFYSA-N 0 3 277.795 2.786 20 30 CFEDHN N#Cc1cccc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000450234371 394288740 /nfs/dbraw/zinc/28/87/40/394288740.db2.gz SHEJFERFFKEKQR-UHFFFAOYSA-N 0 3 286.335 2.505 20 30 CFEDHN C=CCN1CCN(c2ccccc2OC)CC[C@@H]1C ZINC000372195945 394307459 /nfs/dbraw/zinc/30/74/59/394307459.db2.gz HACHEBKSBMNOFM-AWEZNQCLSA-N 0 3 260.381 2.782 20 30 CFEDHN Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1CCN(C)C ZINC000451005324 394346321 /nfs/dbraw/zinc/34/63/21/394346321.db2.gz RWUNYWPWOFWQPX-UHFFFAOYSA-N 0 3 296.374 2.551 20 30 CFEDHN N#Cc1ccnc(NC[C@H]2CCN2C2CCCCC2)c1 ZINC000528112759 394392830 /nfs/dbraw/zinc/39/28/30/394392830.db2.gz DZCHTRVAPZGBTC-OAHLLOKOSA-N 0 3 270.380 2.772 20 30 CFEDHN C[C@H]1CCN(CCCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000516648472 394369941 /nfs/dbraw/zinc/36/99/41/394369941.db2.gz XBXHEXATWORHES-STQMWFEESA-N 0 3 266.385 2.590 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCC#Cc2ccccc2)C1(C)C ZINC000451507351 394376554 /nfs/dbraw/zinc/37/65/54/394376554.db2.gz WTDFBVKFUMNWFD-VNQPRFMTSA-N 0 3 257.377 2.687 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](OC)C(C)(C)C1 ZINC000451554092 394376904 /nfs/dbraw/zinc/37/69/04/394376904.db2.gz PBJFPMVGALNKDW-LSDHHAIUSA-N 0 3 296.455 2.546 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000527804509 394410125 /nfs/dbraw/zinc/41/01/25/394410125.db2.gz QKGXUKLEDLQCQN-RSQPEXBXSA-N 0 3 262.328 2.599 20 30 CFEDHN Cn1cccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527808528 394411527 /nfs/dbraw/zinc/41/15/27/394411527.db2.gz AVIWJLKBQGOMTH-UHFFFAOYSA-N 0 3 295.386 2.692 20 30 CFEDHN COC(=O)c1cccc(CN2C[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC000535962318 394550979 /nfs/dbraw/zinc/55/09/79/394550979.db2.gz DOQKNNFNRRDJPM-OKILXGFUSA-N 0 3 298.386 2.967 20 30 CFEDHN Cc1oc(NC(=O)[C@H](C)NC2(C3CC3)CC2)c(C#N)c1C ZINC000541595824 394677653 /nfs/dbraw/zinc/67/76/53/394677653.db2.gz YZJQWFPRNCPXDP-JTQLQIEISA-N 0 3 287.363 2.627 20 30 CFEDHN Cc1ccccc1[C@H](CO)NCCOc1ccc(C#N)cc1 ZINC000543836960 394745091 /nfs/dbraw/zinc/74/50/91/394745091.db2.gz VYIZHYISXBGITE-SFHVURJKSA-N 0 3 296.370 2.569 20 30 CFEDHN Cc1sc(NC(=O)CNC2(C3CC3)CC2)c(C#N)c1C ZINC000542526618 394706182 /nfs/dbraw/zinc/70/61/82/394706182.db2.gz RTPUOPWQCREVRQ-UHFFFAOYSA-N 0 3 289.404 2.707 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCN(C)C(C)(C)C1 ZINC000556089489 394990025 /nfs/dbraw/zinc/99/00/25/394990025.db2.gz YKJUMOWOESKZLP-CYBMUJFWSA-N 0 3 257.381 2.645 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1cn2ccccc2n1 ZINC000578786695 395096456 /nfs/dbraw/zinc/09/64/56/395096456.db2.gz RMSPYUZUYRQPBL-IPYPFGDCSA-N 0 3 271.364 2.576 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ncc[nH]1)C(C)C ZINC000285524269 542970820 /nfs/dbraw/zinc/97/08/20/542970820.db2.gz FBYIIROQLGXAIL-LSDHHAIUSA-N 0 3 276.428 2.759 20 30 CFEDHN C=CCCOCCNCc1cnn(-c2ccccc2C)c1 ZINC000647196553 395216544 /nfs/dbraw/zinc/21/65/44/395216544.db2.gz DKLZYSRBWQPDAK-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000648999293 395392813 /nfs/dbraw/zinc/39/28/13/395392813.db2.gz VSPVCSALALKQDX-MRXNPFEDSA-N 0 3 286.419 2.932 20 30 CFEDHN C=C(C)[C@H](CO)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000649359546 395477839 /nfs/dbraw/zinc/47/78/39/395477839.db2.gz KLQWAEZSZRPYJT-INIZCTEOSA-N 0 3 283.375 2.589 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000649359547 395477923 /nfs/dbraw/zinc/47/79/23/395477923.db2.gz KLQWAEZSZRPYJT-MRXNPFEDSA-N 0 3 283.375 2.589 20 30 CFEDHN C=CCCN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000649750622 395565307 /nfs/dbraw/zinc/56/53/07/395565307.db2.gz SWJODSJAIFJCPN-QZTJIDSGSA-N 0 3 286.419 2.538 20 30 CFEDHN C[C@@H]1CN(CCCCC#N)CCN1Cc1ccccc1 ZINC000396369030 397555124 /nfs/dbraw/zinc/55/51/24/397555124.db2.gz BNUWUEZLIJDYCI-MRXNPFEDSA-N 0 3 271.408 2.887 20 30 CFEDHN COc1cc(CNC(C)(C)COC(C)C)ccc1C#N ZINC000396367002 397555231 /nfs/dbraw/zinc/55/52/31/397555231.db2.gz LZYCYNLAMMNXKW-UHFFFAOYSA-N 0 3 276.380 2.860 20 30 CFEDHN COC[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000307764025 397645477 /nfs/dbraw/zinc/64/54/77/397645477.db2.gz KXKCEABDQMPWAT-OAHLLOKOSA-N 0 3 274.364 2.568 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000653132908 413205284 /nfs/dbraw/zinc/20/52/84/413205284.db2.gz LBTCNOFNAGOEEL-LBPRGKRZSA-N 0 3 258.365 2.508 20 30 CFEDHN C[C@H]1CC[C@H](N(CCO)Cc2ccc(C#N)s2)C1 ZINC000356369844 155241558 /nfs/dbraw/zinc/24/15/58/155241558.db2.gz QEEHVVCSAFSNDA-RYUDHWBXSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@@H](NC[C@H](CO)c1cccnc1)c1ccc(C#N)cc1F ZINC000348207296 154362864 /nfs/dbraw/zinc/36/28/64/154362864.db2.gz OSURWOMLVOCMPN-IUODEOHRSA-N 0 3 299.349 2.519 20 30 CFEDHN COCC#CCN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000657110782 413310969 /nfs/dbraw/zinc/31/09/69/413310969.db2.gz PKJGISVRPKPPIY-SJORKVTESA-N 0 3 257.377 2.904 20 30 CFEDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360206128 156051247 /nfs/dbraw/zinc/05/12/47/156051247.db2.gz YSFONPFELJLFTR-WMLDXEAASA-N 0 3 299.418 2.652 20 30 CFEDHN Cc1cc(CN(C)C[C@H]2CCCCO2)ccc1C#N ZINC000362924188 156117119 /nfs/dbraw/zinc/11/71/19/156117119.db2.gz NUSJLSFABYFCNS-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CN(C)CCN(C(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000362989469 156138956 /nfs/dbraw/zinc/13/89/56/156138956.db2.gz IZWFBBIDWDJCEW-UHFFFAOYSA-N 0 3 299.399 2.828 20 30 CFEDHN N#Cc1ccc(CNCC2(c3ccccn3)CCC2)o1 ZINC000367595243 156355771 /nfs/dbraw/zinc/35/57/71/156355771.db2.gz AQJNNQVXEUOQBA-UHFFFAOYSA-N 0 3 267.332 2.758 20 30 CFEDHN C=CCN1CC[C@@H](N(C)CC[C@@H]2CCc3ccccc32)C1=O ZINC000660464751 413335685 /nfs/dbraw/zinc/33/56/85/413335685.db2.gz SRQGWBYSTREREX-FUHWJXTLSA-N 0 3 298.430 2.825 20 30 CFEDHN N#Cc1ccc(CN2CC[C@]3(C2)CCCOC3)cc1 ZINC000375292368 157218893 /nfs/dbraw/zinc/21/88/93/157218893.db2.gz MNTCBAXTVCCVCI-INIZCTEOSA-N 0 3 256.349 2.561 20 30 CFEDHN CCc1ccc(CN2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000375926689 157305602 /nfs/dbraw/zinc/30/56/02/157305602.db2.gz IISXELUZQOMBKW-UHFFFAOYSA-N 0 3 295.390 2.549 20 30 CFEDHN C=CC(C)(C)c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000651251336 413376609 /nfs/dbraw/zinc/37/66/09/413376609.db2.gz NRUHWXHVIWIAQS-YOGCLGLASA-N 0 3 261.369 2.873 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)CCC)CC1 ZINC000651273147 413388851 /nfs/dbraw/zinc/38/88/51/413388851.db2.gz DAJOJIMCALTYHI-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCCC[C@@H]2CC)nn1 ZINC000653620711 413409859 /nfs/dbraw/zinc/40/98/59/413409859.db2.gz VQHJQPLRDVBTHR-ZFWWWQNUSA-N 0 3 262.401 2.913 20 30 CFEDHN C=CCCn1cc(CNCCCC2CCCC2)nn1 ZINC000657297978 413413626 /nfs/dbraw/zinc/41/36/26/413413626.db2.gz KEHBKEOFKKOQDK-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=CCCC[C@H](C)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602721 413425847 /nfs/dbraw/zinc/42/58/47/413425847.db2.gz WZEXZBUMOAVXEE-GOEBONIOSA-N 0 3 291.439 2.958 20 30 CFEDHN COC[C@H](NC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000342786759 161707215 /nfs/dbraw/zinc/70/72/15/161707215.db2.gz SZXDSXOJMQYGEU-HNNXBMFYSA-N 0 3 256.349 2.562 20 30 CFEDHN COCC[C@H](Cc1ccco1)NCc1ccc(C#N)s1 ZINC000344326788 162010638 /nfs/dbraw/zinc/01/06/38/162010638.db2.gz OCVIGHVCYRAIIV-GFCCVEGCSA-N 0 3 290.388 2.950 20 30 CFEDHN CC[C@H](C)[C@@](C)(O)CNCc1ccc(C#N)s1 ZINC000344393049 162032984 /nfs/dbraw/zinc/03/29/84/162032984.db2.gz WHVSXCFINRTREV-GWCFXTLKSA-N 0 3 252.383 2.506 20 30 CFEDHN CC(C)(C)OC(=O)CCCNCc1ccc(C#N)s1 ZINC000344729168 162109279 /nfs/dbraw/zinc/10/92/79/162109279.db2.gz MTVPLBLKTLHHET-UHFFFAOYSA-N 0 3 280.393 2.831 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@]1(C)CCCO ZINC000345930063 162278270 /nfs/dbraw/zinc/27/82/70/162278270.db2.gz MKNMCYNJPREHGG-QGZVFWFLSA-N 0 3 288.391 2.694 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@]1(C)CCCO ZINC000345930061 162278445 /nfs/dbraw/zinc/27/84/45/162278445.db2.gz MKNMCYNJPREHGG-KRWDZBQOSA-N 0 3 288.391 2.694 20 30 CFEDHN CC[C@@H](O)CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346126107 162322828 /nfs/dbraw/zinc/32/28/28/162322828.db2.gz AXYVYHFRIIODHP-BXUZGUMPSA-N 0 3 264.344 2.899 20 30 CFEDHN C[C@H](NC[C@](C)(O)C1CC1)c1ccc(C#N)c(F)c1 ZINC000346161713 162335915 /nfs/dbraw/zinc/33/59/15/162335915.db2.gz CDLDGZJFIPOOMO-BONVTDFDSA-N 0 3 262.328 2.509 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000346166215 162337749 /nfs/dbraw/zinc/33/77/49/162337749.db2.gz NWZHAPIZGMRCDF-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]2OC(F)F)cc1F ZINC000348520470 162865234 /nfs/dbraw/zinc/86/52/34/162865234.db2.gz JWVOZTHIMLMVMX-CHWSQXEVSA-N 0 3 284.281 2.947 20 30 CFEDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(C#N)cs1 ZINC000350003466 163050507 /nfs/dbraw/zinc/05/05/07/163050507.db2.gz AXTXXQNKMMZEIY-DZGCQCFKSA-N 0 3 292.404 2.831 20 30 CFEDHN N#Cc1cccc(CNCC2(C(F)(F)F)CC2)c1 ZINC000353047258 163297015 /nfs/dbraw/zinc/29/70/15/163297015.db2.gz MXJGVUQPKOMZGO-UHFFFAOYSA-N 0 3 254.255 2.990 20 30 CFEDHN COc1cc(CNCc2ccc3c[nH]nc3c2)ccc1C#N ZINC000353255196 163331561 /nfs/dbraw/zinc/33/15/61/163331561.db2.gz WLCMNRRCRUUJPT-UHFFFAOYSA-N 0 3 292.342 2.733 20 30 CFEDHN CCC#C[C@H](C)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653711103 413459531 /nfs/dbraw/zinc/45/95/31/413459531.db2.gz RAJNKDARXUEMJH-DZGCQCFKSA-N 0 3 259.397 2.647 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000284350384 196036031 /nfs/dbraw/zinc/03/60/31/196036031.db2.gz CTSUGSDNGXJHGB-HOTGVXAUSA-N 0 3 286.375 2.710 20 30 CFEDHN CCn1nccc1CCNC1(c2cccc(C#N)c2)CC1 ZINC000284422221 196050484 /nfs/dbraw/zinc/05/04/84/196050484.db2.gz OSFCWQOSSQQPRJ-UHFFFAOYSA-N 0 3 280.375 2.596 20 30 CFEDHN C=CCSCCNCc1cnc(C(C)(C)C)nc1 ZINC000284487635 196068456 /nfs/dbraw/zinc/06/84/56/196068456.db2.gz WVNXGRUAOILDLN-UHFFFAOYSA-N 0 3 265.426 2.783 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284710087 196116131 /nfs/dbraw/zinc/11/61/31/196116131.db2.gz IZSKLJXHCFUUPS-CVEARBPZSA-N 0 3 256.349 2.702 20 30 CFEDHN C=CCCOCCN[C@H]1CCCc2c(O)cccc21 ZINC000284882552 196149564 /nfs/dbraw/zinc/14/95/64/196149564.db2.gz BLBRTTPDSOTOBW-HNNXBMFYSA-N 0 3 261.365 2.952 20 30 CFEDHN C=CCCn1cc(CN[C@H](CC)[C@H]2CC2(C)C)nn1 ZINC000653766745 413488517 /nfs/dbraw/zinc/48/85/17/413488517.db2.gz SVKDANBUCVPOIS-ZIAGYGMSSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H]1CCc2c1cc(F)cc2F ZINC000651469647 413487052 /nfs/dbraw/zinc/48/70/52/413487052.db2.gz UJVZHSMZRJTUIQ-IAQYHMDHSA-N 0 3 267.319 2.869 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651469798 413489346 /nfs/dbraw/zinc/48/93/46/413489346.db2.gz ZZQDPJTWNPFSSE-CMPLNLGQSA-N 0 3 276.336 2.511 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CO[C@H](CC)C1 ZINC000657357767 413492552 /nfs/dbraw/zinc/49/25/52/413492552.db2.gz RYDCLEBUKVDSLL-HUUCEWRRSA-N 0 3 261.365 2.909 20 30 CFEDHN OCCC1(NCC#Cc2ccccc2Cl)CCCC1 ZINC000660681754 413497171 /nfs/dbraw/zinc/49/71/71/413497171.db2.gz AJRWJXHPPCOIHN-UHFFFAOYSA-N 0 3 277.795 2.976 20 30 CFEDHN C=CCN1CCC(NC(=O)NCCCC2CCC2)CC1 ZINC000660703373 413507478 /nfs/dbraw/zinc/50/74/78/413507478.db2.gz APHCNYAGXWGRKE-UHFFFAOYSA-N 0 3 279.428 2.516 20 30 CFEDHN C=C[C@@H](C)NCc1cncc(Br)c1C ZINC000657393201 413550195 /nfs/dbraw/zinc/55/01/95/413550195.db2.gz PERIDFLMEHZRRY-MRVPVSSYSA-N 0 3 255.159 2.817 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)Cn2ccnc2)cc1 ZINC000035275059 172095523 /nfs/dbraw/zinc/09/55/23/172095523.db2.gz HJKBJRQUKKSNAP-CQSZACIVSA-N 0 3 271.364 2.626 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000660868843 413624345 /nfs/dbraw/zinc/62/43/45/413624345.db2.gz KFSALUAMRHFHGA-CLWVCHIJSA-N 0 3 289.423 2.504 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1nccn1C(C)C ZINC000657454762 413628500 /nfs/dbraw/zinc/62/85/00/413628500.db2.gz MAYYIECSBKYCRZ-UKRRQHHQSA-N 0 3 263.385 2.535 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CO[C@H](CC)C2)cc1 ZINC000657460571 413631581 /nfs/dbraw/zinc/63/15/81/413631581.db2.gz HKXJXXRWJZYVQU-LSDHHAIUSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CC(C)(C)CNCc1c(C(F)(F)F)cnn1C ZINC000657481871 413669831 /nfs/dbraw/zinc/66/98/31/413669831.db2.gz ZDWPTSRBEXKHME-UHFFFAOYSA-N 0 3 261.291 2.741 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(F)c(F)c1F ZINC000657484445 413671065 /nfs/dbraw/zinc/67/10/65/413671065.db2.gz YYGQVHHTIKRNJQ-NEPJUHHUSA-N 0 3 271.282 2.927 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2c(CC)nn(C)c2OC)C1 ZINC000651748316 413608848 /nfs/dbraw/zinc/60/88/48/413608848.db2.gz HDZFQAUPMKCGAE-STQMWFEESA-N 0 3 277.412 2.826 20 30 CFEDHN C=CCCn1cc(CNCC(C)(C)C(C)C)nn1 ZINC000657442278 413610657 /nfs/dbraw/zinc/61/06/57/413610657.db2.gz RCDNNFHANOFGMW-UHFFFAOYSA-N 0 3 250.390 2.626 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H](C)CC2)nn1 ZINC000657441588 413613502 /nfs/dbraw/zinc/61/35/02/413613502.db2.gz BHWQNVMKWCZIAC-KGLIPLIRSA-N 0 3 262.401 2.913 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000660868844 413623569 /nfs/dbraw/zinc/62/35/69/413623569.db2.gz KFSALUAMRHFHGA-DARAHFNDSA-N 0 3 289.423 2.504 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1ccc(S(C)(=O)=O)o1 ZINC000657529883 413713525 /nfs/dbraw/zinc/71/35/25/413713525.db2.gz KJOZSAMJDHBWFN-JSGCOSHPSA-N 0 3 297.420 2.908 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654311742 413804517 /nfs/dbraw/zinc/80/45/17/413804517.db2.gz LDORJKFIEBWYOF-HZPDHXFCSA-N 0 3 276.424 2.888 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654314346 413808395 /nfs/dbraw/zinc/80/83/95/413808395.db2.gz IMAVTCAHLOXOQN-UONOGXRCSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC1(NCc2nccn2C(C)C)CCOCC1 ZINC000657634675 413813405 /nfs/dbraw/zinc/81/34/05/413813405.db2.gz NSUASADIKUAMBB-UHFFFAOYSA-N 0 3 263.385 2.679 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn2cccnc2n1 ZINC000661118689 413769233 /nfs/dbraw/zinc/76/92/33/413769233.db2.gz JYRLQZXDQRNBEM-DZGCQCFKSA-N 0 3 270.380 2.954 20 30 CFEDHN C=CCC[C@H](NC[C@H](C)N1CCN(C)CC1)c1ccco1 ZINC000285520271 196312893 /nfs/dbraw/zinc/31/28/93/196312893.db2.gz BCQVYVYGCGFQPS-HOTGVXAUSA-N 0 3 291.439 2.512 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1c(C)cnn1C)C(C)C ZINC000285520688 196313689 /nfs/dbraw/zinc/31/36/89/196313689.db2.gz RQVHPIJWQVBFDH-INIZCTEOSA-N 0 3 290.455 2.517 20 30 CFEDHN C=CCOCCCNCc1ccccc1OC(F)F ZINC000657657866 413824433 /nfs/dbraw/zinc/82/44/33/413824433.db2.gz UNHIFEALWUHDKZ-UHFFFAOYSA-N 0 3 271.307 2.970 20 30 CFEDHN C=CCOCCCNCc1cc(F)c(OC)cc1OC ZINC000657658706 413827341 /nfs/dbraw/zinc/82/73/41/413827341.db2.gz ARWXMMRIZZBMSL-UHFFFAOYSA-N 0 3 283.343 2.525 20 30 CFEDHN C=CCN(CCCc1cc(CC)no1)[C@@H](C)COC ZINC000661240976 413842482 /nfs/dbraw/zinc/84/24/82/413842482.db2.gz URQSLXQLTSGASU-ZDUSSCGKSA-N 0 3 266.385 2.693 20 30 CFEDHN C=CCN(Cc1ccc(COC)cc1)[C@@H](C)COC ZINC000661238968 413842511 /nfs/dbraw/zinc/84/25/11/413842511.db2.gz AXQUUCXWWVEGEV-AWEZNQCLSA-N 0 3 263.381 2.856 20 30 CFEDHN C=CCN(CCc1scnc1C)[C@@H](C)COC ZINC000661239001 413843404 /nfs/dbraw/zinc/84/34/04/413843404.db2.gz BKMOJHSVPGEIRO-NSHDSACASA-N 0 3 254.399 2.517 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C)C(=O)N(CC)CC)C1 ZINC000661378407 413936248 /nfs/dbraw/zinc/93/62/48/413936248.db2.gz FWVXUXHGMDQKBD-KGLIPLIRSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@H]1CCCN(CC(=O)N2CCCCCC2)C1 ZINC000661377168 413939344 /nfs/dbraw/zinc/93/93/44/413939344.db2.gz KKRKVMKYRJZHNR-HNNXBMFYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000661381788 413942886 /nfs/dbraw/zinc/94/28/86/413942886.db2.gz PJQXOPAFILFCIT-HIFRSBDPSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cccc(C(=O)NC)c2)C1 ZINC000661379861 413943719 /nfs/dbraw/zinc/94/37/19/413943719.db2.gz IZFXFLILLOLVPZ-CQSZACIVSA-N 0 3 272.392 2.834 20 30 CFEDHN C=CCCCCCNC(=O)N(C)CCN1CCCCC1 ZINC000654666960 413954232 /nfs/dbraw/zinc/95/42/32/413954232.db2.gz IGDGTJAEUBZPSS-UHFFFAOYSA-N 0 3 281.444 2.860 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000661514595 414024316 /nfs/dbraw/zinc/02/43/16/414024316.db2.gz NGJBLDFWTKVYTO-KFWWJZLASA-N 0 3 291.439 2.752 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1CCCC ZINC000657884922 414027871 /nfs/dbraw/zinc/02/78/71/414027871.db2.gz FXBUYOSNUKQKFC-UONOGXRCSA-N 0 3 277.416 2.698 20 30 CFEDHN C=CCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000661570672 414053353 /nfs/dbraw/zinc/05/33/53/414053353.db2.gz QRHHBXZWAFBDLK-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CC[C@H](CO)CN[C@H](C)c1cc2cnccc2o1 ZINC000657935942 414064173 /nfs/dbraw/zinc/06/41/73/414064173.db2.gz CCKWDNRILQVODR-NEPJUHHUSA-N 0 3 260.337 2.663 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(CC=C)nn1 ZINC000658036683 414121954 /nfs/dbraw/zinc/12/19/54/414121954.db2.gz ASQSIDMTORBTQA-ZFWWWQNUSA-N 0 3 260.385 2.689 20 30 CFEDHN C=CCN(CC(=O)NCc1cccs1)C(C)(C)C ZINC000661755236 414193962 /nfs/dbraw/zinc/19/39/62/414193962.db2.gz KDVQOBDXPUBCQR-UHFFFAOYSA-N 0 3 266.410 2.651 20 30 CFEDHN C=CCN(CC(=O)N1CCC[C@H](C)C1)C(C)(C)C ZINC000661754777 414194870 /nfs/dbraw/zinc/19/48/70/414194870.db2.gz AIESIHZQIPNUDP-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN(CC(=O)N1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000661755214 414195666 /nfs/dbraw/zinc/19/56/66/414195666.db2.gz JHZDOLYMHOYEEZ-OKILXGFUSA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@@H](O)[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661772988 414211209 /nfs/dbraw/zinc/21/12/09/414211209.db2.gz XCDPISDTLRPDLQ-IUODEOHRSA-N 0 3 297.320 2.902 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)CN(C)C ZINC000665385576 414315208 /nfs/dbraw/zinc/31/52/08/414315208.db2.gz GKNJPLNOTDSPEV-UONOGXRCSA-N 0 3 281.444 2.761 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000662033471 414369445 /nfs/dbraw/zinc/36/94/45/414369445.db2.gz IIVFOVKHHPNGSM-GJZGRUSLSA-N 0 3 275.779 2.660 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000662037640 414371974 /nfs/dbraw/zinc/37/19/74/414371974.db2.gz WUEBKCHZBRPGHC-CABCVRRESA-N 0 3 275.779 2.660 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC1=CCN(C)CC1 ZINC000665390340 414319963 /nfs/dbraw/zinc/31/99/63/414319963.db2.gz BHVHRGIRDXEWQI-HZPDHXFCSA-N 0 3 291.439 2.682 20 30 CFEDHN C=CCCc1ccccc1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659013679 414432310 /nfs/dbraw/zinc/43/23/10/414432310.db2.gz VLKUSRJWKMYNNI-ZIAGYGMSSA-N 0 3 291.370 2.708 20 30 CFEDHN C=C[C@H](CO)NCCSc1ccc(C)c(C)c1 ZINC000662167600 414439806 /nfs/dbraw/zinc/43/98/06/414439806.db2.gz ARSWRHXINLZOGK-CYBMUJFWSA-N 0 3 251.395 2.532 20 30 CFEDHN C=C[C@H](CO)NCCSc1ccc(Cl)cc1 ZINC000662165836 414439870 /nfs/dbraw/zinc/43/98/70/414439870.db2.gz QAAHVSXNAJOTFC-LLVKDONJSA-N 0 3 257.786 2.569 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1ccccc1C ZINC000662082391 414400421 /nfs/dbraw/zinc/40/04/21/414400421.db2.gz UIVBWYSOZYHEGM-HDICACEKSA-N 0 3 298.430 2.837 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(F)cc1 ZINC000662086795 414404509 /nfs/dbraw/zinc/40/45/09/414404509.db2.gz YPOLIZDJKIMQQU-IYBDPMFKSA-N 0 3 288.366 2.625 20 30 CFEDHN C=CCCC1(CNC(=O)CNC(C)C)CCCC1 ZINC000659334073 414500453 /nfs/dbraw/zinc/50/04/53/414500453.db2.gz CYLQVBKTRUWJEL-UHFFFAOYSA-N 0 3 252.402 2.627 20 30 CFEDHN C=CCCC1(CNC(=O)C[C@H]2CSCCN2)CCCC1 ZINC000659335164 414502739 /nfs/dbraw/zinc/50/27/39/414502739.db2.gz UUUVVKOJTGCPRZ-AWEZNQCLSA-N 0 3 296.480 2.724 20 30 CFEDHN C=CCCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000659513186 414528210 /nfs/dbraw/zinc/52/82/10/414528210.db2.gz UEOHRQHUOGDLEZ-OAHLLOKOSA-N 0 3 275.396 2.685 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000659858231 414591112 /nfs/dbraw/zinc/59/11/12/414591112.db2.gz VXVJVXNCIFTLCN-ZWKOTPCHSA-N 0 3 289.419 2.769 20 30 CFEDHN C=CCN(CCc1ccccc1)C[C@H](OC)[C@H]1CCOC1 ZINC000659858230 414591298 /nfs/dbraw/zinc/59/12/98/414591298.db2.gz VXVJVXNCIFTLCN-ROUUACIJSA-N 0 3 289.419 2.769 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662857791 414622575 /nfs/dbraw/zinc/62/25/75/414622575.db2.gz PNFFHPCLTJRDBP-CQSZACIVSA-N 0 3 284.403 2.761 20 30 CFEDHN C=CCCC1(CNC(=O)C(N)C(F)(F)F)CCCC1 ZINC000662620447 414578638 /nfs/dbraw/zinc/57/86/38/414578638.db2.gz IJQTWXIJYQCJMK-JTQLQIEISA-N 0 3 278.318 2.519 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC12CC2 ZINC001085343831 782021096 /nfs/dbraw/zinc/02/10/96/782021096.db2.gz HSKXSXLCCJYNBE-YNEHKIRRSA-N 0 3 282.815 2.556 20 30 CFEDHN Cc1ccc(C#N)c(NCCN2CCCCCC2)n1 ZINC000043395645 175035447 /nfs/dbraw/zinc/03/54/47/175035447.db2.gz CVELOGDXEAGSLV-UHFFFAOYSA-N 0 3 258.369 2.550 20 30 CFEDHN CN1CCC[C@@H](CNc2nc3c(cc2C#N)CCCC3)C1 ZINC000044537871 175200072 /nfs/dbraw/zinc/20/00/72/175200072.db2.gz NVWDJVGIRSDKBJ-ZDUSSCGKSA-N 0 3 284.407 2.586 20 30 CFEDHN C=CCC[C@@H](NC[C@@H](O)C1CCOCC1)c1ccco1 ZINC000286314621 196564405 /nfs/dbraw/zinc/56/44/05/196564405.db2.gz XQWULPYFZRHVEW-HUUCEWRRSA-N 0 3 279.380 2.664 20 30 CFEDHN CCCCOC(=O)CCN(C)Cc1ccc(C#N)cc1 ZINC000046054043 175390686 /nfs/dbraw/zinc/39/06/86/175390686.db2.gz VCZVDVXCGLSYKA-UHFFFAOYSA-N 0 3 274.364 2.723 20 30 CFEDHN CN(CCOc1ccccc1C#N)CCc1ccncc1 ZINC000048260062 175423490 /nfs/dbraw/zinc/42/34/90/175423490.db2.gz DHUKRQUKZBUYLW-UHFFFAOYSA-N 0 3 281.359 2.507 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(SC)cc2)CC1 ZINC000072015439 176309185 /nfs/dbraw/zinc/30/91/85/176309185.db2.gz PJDQKSDBXFWKEP-UHFFFAOYSA-N 0 3 288.416 2.692 20 30 CFEDHN C=CCCCN(C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000076801846 177099270 /nfs/dbraw/zinc/09/92/70/177099270.db2.gz PPKRBIWBEKIJDX-AWEZNQCLSA-N 0 3 290.407 2.770 20 30 CFEDHN CC(C#N)C(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000334643654 225235087 /nfs/dbraw/zinc/23/50/87/225235087.db2.gz DSVAKPBZBLNFAE-SECBINFHSA-N 0 3 282.265 2.791 20 30 CFEDHN Cc1ccc(Br)c(CNC(=O)C(C)C#N)c1 ZINC000334806617 225303644 /nfs/dbraw/zinc/30/36/44/225303644.db2.gz LUFQMLQFCMITBJ-VIFPVBQESA-N 0 3 281.153 2.533 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000334910889 225363668 /nfs/dbraw/zinc/36/36/68/225363668.db2.gz PVHVVWFHWFRLPN-MFKMUULPSA-N 0 3 278.302 2.658 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000347099094 226047598 /nfs/dbraw/zinc/04/75/98/226047598.db2.gz CZEUWAMAVGPVJM-CQSZACIVSA-N 0 3 286.375 2.601 20 30 CFEDHN Cc1cccc(C)c1[C@@H](C)NCC(=O)NC1(C#N)CCC1 ZINC000347233063 226074743 /nfs/dbraw/zinc/07/47/43/226074743.db2.gz PTTBCQUGPLAGLK-CQSZACIVSA-N 0 3 285.391 2.517 20 30 CFEDHN C=CCCC[C@@H](C)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000575174537 335075457 /nfs/dbraw/zinc/07/54/57/335075457.db2.gz IOLNQSFDSXTZTO-CYBMUJFWSA-N 0 3 299.411 2.934 20 30 CFEDHN N#CC(C(=O)c1cccc(OC(F)F)c1)c1ccncn1 ZINC000354469127 227005853 /nfs/dbraw/zinc/00/58/53/227005853.db2.gz MORCBXTZBICQJP-NSHDSACASA-N 0 3 289.241 2.568 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1C ZINC000354475854 227008907 /nfs/dbraw/zinc/00/89/07/227008907.db2.gz YIDUONIPBNWIBP-CYBMUJFWSA-N 0 3 251.289 2.584 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000336528723 227096265 /nfs/dbraw/zinc/09/62/65/227096265.db2.gz VTWARJVQWAEPCB-OCCSQVGLSA-N 0 3 256.349 2.798 20 30 CFEDHN Cc1nccn1CC[NH+]=C([O-])N1CC[C@H](C)C2(CCC2)C1 ZINC000329103565 227297661 /nfs/dbraw/zinc/29/76/61/227297661.db2.gz GDHRTCWAZINUNS-ZDUSSCGKSA-N 0 3 290.411 2.618 20 30 CFEDHN N#Cc1cccc(NC(=O)C2CCN([C@H]3CCOC3)CC2)c1 ZINC000329189645 227346263 /nfs/dbraw/zinc/34/62/63/227346263.db2.gz PUOZWRJFVRKDIS-INIZCTEOSA-N 0 3 299.374 2.647 20 30 CFEDHN CCc1noc(C)c1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000329206446 227351811 /nfs/dbraw/zinc/35/18/11/227351811.db2.gz ZPAGRNBQPYZCDA-LBPRGKRZSA-N 0 3 291.395 2.867 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)CC(C)C ZINC000418094885 228032056 /nfs/dbraw/zinc/03/20/56/228032056.db2.gz IJOLBTNXIZOJOU-CQSZACIVSA-N 0 3 264.344 2.848 20 30 CFEDHN Cc1nccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CC1(C)C ZINC000330180089 228056948 /nfs/dbraw/zinc/05/69/48/228056948.db2.gz FTPXJZKRHQULNJ-KGLIPLIRSA-N 0 3 290.411 2.616 20 30 CFEDHN CC(C#N)C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000335998602 228176237 /nfs/dbraw/zinc/17/62/37/228176237.db2.gz ALIXZKFUSIXWCT-ZETCQYMHSA-N 0 3 279.752 2.726 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](C)Cn2ccnc2)cc1 ZINC000035275056 260018486 /nfs/dbraw/zinc/01/84/86/260018486.db2.gz HJKBJRQUKKSNAP-AWEZNQCLSA-N 0 3 271.364 2.626 20 30 CFEDHN C[C@@H](F)CCNC(=O)C(C#N)CCc1ccccc1 ZINC000356712050 260090152 /nfs/dbraw/zinc/09/01/52/260090152.db2.gz BYDDJOKKOBBANM-TZMCWYRMSA-N 0 3 262.328 2.623 20 30 CFEDHN C=CCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000117872456 260116623 /nfs/dbraw/zinc/11/66/23/260116623.db2.gz MCWISMFABIYFQM-UHFFFAOYSA-N 0 3 290.382 2.940 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000363357708 260129136 /nfs/dbraw/zinc/12/91/36/260129136.db2.gz VJPHBKCOVMTKKJ-MSOLQXFVSA-N 0 3 296.418 2.636 20 30 CFEDHN CC(C)(C)OC(=O)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407990431 260153783 /nfs/dbraw/zinc/15/37/83/260153783.db2.gz OGOXJRWBEDZDKM-GXTWGEPZSA-N 0 3 278.396 2.732 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](CCC)CCO ZINC000080523782 260180882 /nfs/dbraw/zinc/18/08/82/260180882.db2.gz CMYWCALFQJNBSS-OAHLLOKOSA-N 0 3 275.392 2.587 20 30 CFEDHN CCc1nn(C)c(CC)c1CNCc1ccc(CC#N)cc1 ZINC000521873827 260223138 /nfs/dbraw/zinc/22/31/38/260223138.db2.gz PJDZDMKVPRGFSQ-UHFFFAOYSA-N 0 3 296.418 2.901 20 30 CFEDHN CCOC[C@H]1CCCCN1CCOc1ccccc1C#N ZINC000313482489 260297951 /nfs/dbraw/zinc/29/79/51/260297951.db2.gz JOSFDQRAQJDYFL-MRXNPFEDSA-N 0 3 288.391 2.828 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC[C@H](O)c2ccsc2)C1 ZINC000127232354 260361834 /nfs/dbraw/zinc/36/18/34/260361834.db2.gz SMAIOQKOXWLVHD-CGZBRXJRSA-N 0 3 298.411 2.995 20 30 CFEDHN CC[C@H](NCCOC[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000518683940 260494012 /nfs/dbraw/zinc/49/40/12/260494012.db2.gz HUYNKBLPWGYFRT-IRXDYDNUSA-N 0 3 288.391 2.795 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)Nc2cccnc2)n1 ZINC000155766241 261107348 /nfs/dbraw/zinc/10/73/48/261107348.db2.gz DAHSLRPEJPOQNP-NSHDSACASA-N 0 3 286.360 2.907 20 30 CFEDHN C=CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000448381137 261135593 /nfs/dbraw/zinc/13/55/93/261135593.db2.gz ISOZDSOEPXGNEN-OAHLLOKOSA-N 0 3 279.428 2.613 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C)CC1 ZINC000249825152 261258936 /nfs/dbraw/zinc/25/89/36/261258936.db2.gz JJWHWODPMGKJLG-LSDHHAIUSA-N 0 3 291.439 2.840 20 30 CFEDHN C#CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000491048062 261311679 /nfs/dbraw/zinc/31/16/79/261311679.db2.gz WSWRGJJHUAFWFG-AWEZNQCLSA-N 0 3 292.423 2.731 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CCC(C)C)CC1 ZINC000106040241 261320818 /nfs/dbraw/zinc/32/08/18/261320818.db2.gz NBHCQJARXQDADS-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc3c2CCC3)CC1 ZINC000106034271 261320768 /nfs/dbraw/zinc/32/07/68/261320768.db2.gz LDDWQZHPYUZJOD-UHFFFAOYSA-N 0 3 298.430 2.946 20 30 CFEDHN CCCCN(CC#Cc1ccc(Cl)cc1)CCO ZINC000177026552 261326348 /nfs/dbraw/zinc/32/63/48/261326348.db2.gz PMXASGTUQXDLKD-UHFFFAOYSA-N 0 3 265.784 2.786 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1N(C)C ZINC000363813478 261936685 /nfs/dbraw/zinc/93/66/85/261936685.db2.gz FYUIZQOHJPXRFL-DLBZAZTESA-N 0 3 298.430 2.770 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1c2ccccc2CC[C@H]1N(C)C ZINC000363814384 261937161 /nfs/dbraw/zinc/93/71/61/261937161.db2.gz GXBUTAXRWRJUQT-MJGOQNOKSA-N 0 3 298.430 2.914 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000185790251 262071636 /nfs/dbraw/zinc/07/16/36/262071636.db2.gz XJIZLIPPZRDZES-JKSUJKDBSA-N 0 3 297.402 2.985 20 30 CFEDHN C=CCN1CCC(NC(=O)O[C@@H](C)CC(C)C)CC1 ZINC000497221966 262111870 /nfs/dbraw/zinc/11/18/70/262111870.db2.gz XFFNRIFTKYOQMR-ZDUSSCGKSA-N 0 3 268.401 2.798 20 30 CFEDHN N#CCCCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192116257 262198637 /nfs/dbraw/zinc/19/86/37/262198637.db2.gz UTTUOFDWYLUMRM-UONOGXRCSA-N 0 3 266.291 2.688 20 30 CFEDHN CN1C(=O)C[C@H](NCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000192151160 262198898 /nfs/dbraw/zinc/19/88/98/262198898.db2.gz SEZNZTDVPJKPMS-DZGCQCFKSA-N 0 3 291.782 2.505 20 30 CFEDHN CC(=O)Nc1ccc(CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000192628707 262206790 /nfs/dbraw/zinc/20/67/90/262206790.db2.gz VLJSUYDOALAVHU-HOCLYGCPSA-N 0 3 271.364 2.817 20 30 CFEDHN N#CCOc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000192981978 262213607 /nfs/dbraw/zinc/21/36/07/262213607.db2.gz QFYRNAYDABIMGH-LSDHHAIUSA-N 0 3 269.348 2.761 20 30 CFEDHN C=CCCOCCNCc1ccccc1OC(F)F ZINC000120839543 262237106 /nfs/dbraw/zinc/23/71/06/262237106.db2.gz SBAQNILJPGBXAH-UHFFFAOYSA-N 0 3 271.307 2.970 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CC[C@H](n2cncn2)C1 ZINC000364496092 262252642 /nfs/dbraw/zinc/25/26/42/262252642.db2.gz QLXLEHCNGGUBNB-HNNXBMFYSA-N 0 3 295.390 2.526 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000111260099 262258964 /nfs/dbraw/zinc/25/89/64/262258964.db2.gz ORWPJCHICFARMO-OAHLLOKOSA-N 0 3 286.419 2.898 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000111260380 262259112 /nfs/dbraw/zinc/25/91/12/262259112.db2.gz VNDQRIODANISNM-QLFBSQMISA-N 0 3 278.440 2.777 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C)(C(C)C)CC1 ZINC000186198620 262311792 /nfs/dbraw/zinc/31/17/92/262311792.db2.gz DJMKZVBNAXEXBQ-HNNXBMFYSA-N 0 3 293.455 2.753 20 30 CFEDHN C=CCCCN(CCC1CCCCC1)CC(N)=O ZINC000117877321 262359449 /nfs/dbraw/zinc/35/94/49/262359449.db2.gz UXQPWEGCSJERTO-UHFFFAOYSA-N 0 3 252.402 2.710 20 30 CFEDHN CO[C@@H]1CC[C@@H]2OCCN(CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000365631302 262376912 /nfs/dbraw/zinc/37/69/12/262376912.db2.gz WLLSMOKMQLQWPY-OAGGEKHMSA-N 0 3 294.439 2.975 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000320099651 262391077 /nfs/dbraw/zinc/39/10/77/262391077.db2.gz BAFHUCCGOUKANS-MLGOLLRUSA-N 0 3 276.380 2.623 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@](C)(c3ccccc3)C2)C1=O ZINC000337132757 262424859 /nfs/dbraw/zinc/42/48/59/262424859.db2.gz ANBPAUWYBYHDQF-HKUYNNGSSA-N 0 3 298.430 2.827 20 30 CFEDHN CC[C@H]1CN(CCCC2(C#N)CCOCC2)CCS1 ZINC000337184001 262434982 /nfs/dbraw/zinc/43/49/82/262434982.db2.gz NMCUXLXCEJZBPS-AWEZNQCLSA-N 0 3 282.453 2.914 20 30 CFEDHN C=CC[C@@H](C)NCc1cc(C(=O)OC)c(CC)o1 ZINC000338941689 262574086 /nfs/dbraw/zinc/57/40/86/262574086.db2.gz LQANITVKESPEFN-SNVBAGLBSA-N 0 3 251.326 2.683 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(n2cc(Cl)cn2)CC1 ZINC000411496237 262696728 /nfs/dbraw/zinc/69/67/28/262696728.db2.gz LKDCTWDNIJIIOV-NSHDSACASA-N 0 3 266.776 2.866 20 30 CFEDHN C=CCOc1ccc(CNc2nccn2C)cc1OC ZINC000414302654 262835175 /nfs/dbraw/zinc/83/51/75/262835175.db2.gz MYYIOWOALZGTFT-UHFFFAOYSA-N 0 3 273.336 2.606 20 30 CFEDHN CN(CCC(C)(C)C#N)[C@@H](CCO)c1ccccc1 ZINC000271984982 263000770 /nfs/dbraw/zinc/00/07/70/263000770.db2.gz CKCQUZQUVYNGQP-HNNXBMFYSA-N 0 3 260.381 2.982 20 30 CFEDHN CC1(C#N)CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000272579106 263007037 /nfs/dbraw/zinc/00/70/37/263007037.db2.gz OAOZZEHWQHGEQZ-UHFFFAOYSA-N 0 3 289.354 2.780 20 30 CFEDHN CC1(C#N)CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000272624274 263007510 /nfs/dbraw/zinc/00/75/10/263007510.db2.gz VFNMNQOZYXBUMY-UHFFFAOYSA-N 0 3 280.375 2.998 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000274215582 263022022 /nfs/dbraw/zinc/02/20/22/263022022.db2.gz OMTWMEMLQFHQJJ-DLBZAZTESA-N 0 3 299.418 2.695 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274630027 263028360 /nfs/dbraw/zinc/02/83/60/263028360.db2.gz ONPXETBFBCUSKE-SLEUVZQESA-N 0 3 283.375 2.548 20 30 CFEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000274660633 263028917 /nfs/dbraw/zinc/02/89/17/263028917.db2.gz VNPJWHKPFNUNLV-DETPVDSQSA-N 0 3 271.364 2.988 20 30 CFEDHN CC[C@H](CC#N)NC(=O)Nc1ccccc1CCN(C)C ZINC000275686900 263033979 /nfs/dbraw/zinc/03/39/79/263033979.db2.gz QTCTUOZACJCOPW-CQSZACIVSA-N 0 3 288.395 2.604 20 30 CFEDHN CN(C)C(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000278163501 263045508 /nfs/dbraw/zinc/04/55/08/263045508.db2.gz BWCOUELRYYKDFG-BBRMVZONSA-N 0 3 285.391 2.560 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(C3OCCO3)cc2)C1 ZINC000278385260 263047858 /nfs/dbraw/zinc/04/78/58/263047858.db2.gz DITOYKYERYFINW-ZBFHGGJFSA-N 0 3 286.375 2.904 20 30 CFEDHN CCC1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279610128 263056377 /nfs/dbraw/zinc/05/63/77/263056377.db2.gz TUJHOULIPHAEPW-KRWDZBQOSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CCC[C@@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279673775 263056512 /nfs/dbraw/zinc/05/65/12/263056512.db2.gz FWAASYJXVFQHQJ-KBRIMQKVSA-N 0 3 295.386 2.935 20 30 CFEDHN C[C@@H]1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279673777 263056605 /nfs/dbraw/zinc/05/66/05/263056605.db2.gz FWAASYJXVFQHQJ-XYPHTWIQSA-N 0 3 295.386 2.935 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)NCCC2=CCCC2)cc1 ZINC000279880276 263058005 /nfs/dbraw/zinc/05/80/05/263058005.db2.gz CMSAEWJFRLLTQL-KRWDZBQOSA-N 0 3 293.370 2.857 20 30 CFEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CCC1 ZINC000279936875 263058271 /nfs/dbraw/zinc/05/82/71/263058271.db2.gz GBYKVVXHNRKPTP-INIZCTEOSA-N 0 3 295.386 2.937 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000340048333 263059742 /nfs/dbraw/zinc/05/97/42/263059742.db2.gz SIWLPGREVXZLKZ-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN CC(C)C[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280230234 263059801 /nfs/dbraw/zinc/05/98/01/263059801.db2.gz WAWBIZMHFWLYIB-CJNGLKHVSA-N 0 3 283.375 2.791 20 30 CFEDHN CC[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280332704 263060400 /nfs/dbraw/zinc/06/04/00/263060400.db2.gz HIQALRQOJIEKCL-YOEHRIQHSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N(C)C1CC1 ZINC000280385386 263060993 /nfs/dbraw/zinc/06/09/93/263060993.db2.gz WKRMROZDYSUUQB-ZDUSSCGKSA-N 0 3 299.418 2.700 20 30 CFEDHN Cc1ccncc1N1CCN(CCCC(C)(C)C#N)CC1 ZINC000340103893 263070878 /nfs/dbraw/zinc/07/08/78/263070878.db2.gz GLKPDVKRSBLFOL-UHFFFAOYSA-N 0 3 286.423 2.842 20 30 CFEDHN CCOC(=O)c1ccc(CNCC2CCC(C#N)CC2)o1 ZINC000282337222 263075968 /nfs/dbraw/zinc/07/59/68/263075968.db2.gz OQAYIORXFVGCFY-UHFFFAOYSA-N 0 3 290.363 2.876 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2ccccc2)CC1 ZINC000340179934 263083451 /nfs/dbraw/zinc/08/34/51/263083451.db2.gz GYHSZALAFJVBRE-DOTOQJQBSA-N 0 3 286.419 2.947 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(OC(F)F)c2)C1 ZINC000284428771 263086765 /nfs/dbraw/zinc/08/67/65/263086765.db2.gz RUMPTVJUMNYJSA-CMPLNLGQSA-N 0 3 281.306 2.855 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1cccc(CN(C)C)c1 ZINC000285032559 263089326 /nfs/dbraw/zinc/08/93/26/263089326.db2.gz FNBCIGJANNJDSZ-OAHLLOKOSA-N 0 3 259.353 2.627 20 30 CFEDHN C=C[C@H](CC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000340224054 263097929 /nfs/dbraw/zinc/09/79/29/263097929.db2.gz UMUKAWLWKRHXHZ-UXLLHSPISA-N 0 3 286.419 2.945 20 30 CFEDHN CC1(C)CC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287302833 263101625 /nfs/dbraw/zinc/10/16/25/263101625.db2.gz UIVXGZAXFFRVEL-HUUCEWRRSA-N 0 3 281.359 2.545 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)ccc1C#N ZINC000288496920 263104742 /nfs/dbraw/zinc/10/47/42/263104742.db2.gz HQQOCQRUUFCFHP-UGSOOPFHSA-N 0 3 296.370 2.779 20 30 CFEDHN C#C[C@@H](C)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000289324147 263109074 /nfs/dbraw/zinc/10/90/74/263109074.db2.gz GAKDYKIQCRDTNY-CQSZACIVSA-N 0 3 278.359 2.575 20 30 CFEDHN N#CCCCN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291785843 263125541 /nfs/dbraw/zinc/12/55/41/263125541.db2.gz MMCOBJIFJRBQRI-QGZVFWFLSA-N 0 3 272.392 2.607 20 30 CFEDHN COc1ccc([C@@H](O)C2CCN(CCCC#N)CC2)cc1 ZINC000291969377 263126857 /nfs/dbraw/zinc/12/68/57/263126857.db2.gz VMFPGNWKGGMUBY-QGZVFWFLSA-N 0 3 288.391 2.744 20 30 CFEDHN C[C@@H]1C[C@H](NC(=O)CCCC#N)CCN1Cc1ccccc1 ZINC000292116622 263128579 /nfs/dbraw/zinc/12/85/79/263128579.db2.gz MTNKZRKYQXBSCU-NVXWUHKLSA-N 0 3 299.418 2.850 20 30 CFEDHN CN1CCC(CC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000292255852 263130236 /nfs/dbraw/zinc/13/02/36/263130236.db2.gz SOWUDMQHRQFMOH-KRWDZBQOSA-N 0 3 299.418 2.880 20 30 CFEDHN COCCN(CCOCCC#N)[C@@H](C)c1ccccc1 ZINC000293063200 263137650 /nfs/dbraw/zinc/13/76/50/263137650.db2.gz LGBSBAOBRMNYNT-HNNXBMFYSA-N 0 3 276.380 2.626 20 30 CFEDHN COc1ccc(OCCN(C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000293658226 263146373 /nfs/dbraw/zinc/14/63/73/263146373.db2.gz YMGYWBKUCFDJFJ-KGLIPLIRSA-N 0 3 274.364 2.698 20 30 CFEDHN COc1cc(C)c([C@@H](C)NCCOCCC#N)cc1OC ZINC000293744091 263148620 /nfs/dbraw/zinc/14/86/20/263148620.db2.gz HZNDHEHJZUSBMX-CYBMUJFWSA-N 0 3 292.379 2.593 20 30 CFEDHN COC[C@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000294066112 263155241 /nfs/dbraw/zinc/15/52/41/263155241.db2.gz KHDMLRWQBJELMH-AWEZNQCLSA-N 0 3 282.771 2.547 20 30 CFEDHN COC[C@@H](NCCOCCC#N)c1ccc(Cl)cc1 ZINC000294066118 263155368 /nfs/dbraw/zinc/15/53/68/263155368.db2.gz KHDMLRWQBJELMH-CQSZACIVSA-N 0 3 282.771 2.547 20 30 CFEDHN CN(Cc1ccccc1C(C)(C)C#N)CC(C)(C)CO ZINC000295218775 263174438 /nfs/dbraw/zinc/17/44/38/263174438.db2.gz MYHBWCFVHAZPFN-UHFFFAOYSA-N 0 3 274.408 2.938 20 30 CFEDHN CC1(C)C[C@H](O)CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000295260754 263175061 /nfs/dbraw/zinc/17/50/61/263175061.db2.gz DEBMPFRMWCTQKP-OAHLLOKOSA-N 0 3 288.391 2.572 20 30 CFEDHN N#CCc1ccc(NC2CCN(C3CC3)CC2)cc1 ZINC000297688765 263207959 /nfs/dbraw/zinc/20/79/59/263207959.db2.gz PRTHHGZMMVXOPP-UHFFFAOYSA-N 0 3 255.365 2.791 20 30 CFEDHN C=CCC[C@@H](NCC[C@@](C)(O)COC)c1ccco1 ZINC000453260210 263212675 /nfs/dbraw/zinc/21/26/75/263212675.db2.gz QWIYEUCMMBQHSS-UKRRQHHQSA-N 0 3 267.369 2.664 20 30 CFEDHN C#CCCCCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000120078788 263280527 /nfs/dbraw/zinc/28/05/27/263280527.db2.gz XVIRXVQHJBJVJS-UHFFFAOYSA-N 0 3 299.418 2.608 20 30 CFEDHN C#Cc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000120600566 263287640 /nfs/dbraw/zinc/28/76/40/263287640.db2.gz HGXUAJVVTJYXOH-MCIONIFRSA-N 0 3 270.376 2.868 20 30 CFEDHN C=CCN(C)CCCc1nc(-c2ccccc2)no1 ZINC000121265224 263290541 /nfs/dbraw/zinc/29/05/41/263290541.db2.gz GMASJWQGSAOGTM-UHFFFAOYSA-N 0 3 257.337 2.787 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccccc1C(C)C ZINC000121263761 263292149 /nfs/dbraw/zinc/29/21/49/263292149.db2.gz XXHMJWMYZYOFHT-AWEZNQCLSA-N 0 3 263.381 2.668 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000121294896 263292714 /nfs/dbraw/zinc/29/27/14/263292714.db2.gz GXYIAXQRHMXENM-UHFFFAOYSA-N 0 3 252.745 2.786 20 30 CFEDHN COc1cc(CN[C@H]2CCC[C@@H](C#N)C2)ccc1C#N ZINC000353640480 263294176 /nfs/dbraw/zinc/29/41/76/263294176.db2.gz GZQSMUOUJVFJGY-DOMZBBRYSA-N 0 3 269.348 2.739 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1cccc2ccccc21 ZINC000121546081 263295694 /nfs/dbraw/zinc/29/56/94/263295694.db2.gz XQZKBULBUYFXQE-HNNXBMFYSA-N 0 3 271.360 2.697 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1c1cccc(C)c1C ZINC000122288703 263301303 /nfs/dbraw/zinc/30/13/03/263301303.db2.gz CMSHNEXGUIZUSP-MRXNPFEDSA-N 0 3 272.392 2.743 20 30 CFEDHN C=C(CC)CN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000341142551 263324320 /nfs/dbraw/zinc/32/43/20/263324320.db2.gz GYKXLRLIFHWVMI-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CC[C@@H](CO)CNCc1nc2c(s1)C[C@H](C)CC2 ZINC000341276744 263329974 /nfs/dbraw/zinc/32/99/74/263329974.db2.gz PZSPBGJCNHELDY-VXGBXAGGSA-N 0 3 280.437 2.542 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1ccccc1 ZINC000341786916 263351790 /nfs/dbraw/zinc/35/17/90/263351790.db2.gz FDFYDFMBVPETFU-JKIFEVAISA-N 0 3 287.407 2.780 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(F)cc(F)c1 ZINC000341884563 263362781 /nfs/dbraw/zinc/36/27/81/263362781.db2.gz VSGGLRWOOHSGPZ-WDEREUQCSA-N 0 3 255.308 2.800 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H]1CCc2c1c(F)ccc2F ZINC000341883980 263362881 /nfs/dbraw/zinc/36/28/81/263362881.db2.gz JNFWDFFAMYSQAS-QMTHXVAHSA-N 0 3 267.319 2.726 20 30 CFEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2ccc(OC)cc21 ZINC000341887220 263363457 /nfs/dbraw/zinc/36/34/57/263363457.db2.gz OIVLXIIBXDHAQZ-BBRMVZONSA-N 0 3 291.391 2.683 20 30 CFEDHN C[C@H](CNC(=O)C1(C#N)CCCCC1)N1CCC(C)CC1 ZINC000341921723 263365679 /nfs/dbraw/zinc/36/56/79/263365679.db2.gz MTPZGMMQSDYTMB-OAHLLOKOSA-N 0 3 291.439 2.697 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC000330680661 264003185 /nfs/dbraw/zinc/00/31/85/264003185.db2.gz YZQQRYHODLRDGP-LBPRGKRZSA-N 0 3 279.384 2.977 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)C1(C#N)CCCCC1 ZINC000330735644 264037464 /nfs/dbraw/zinc/03/74/64/264037464.db2.gz MMNUCYBDYAAOBK-HNNXBMFYSA-N 0 3 291.439 2.841 20 30 CFEDHN CCCc1nc(C(=O)NCCN2CCC[C@@H](C)C2)co1 ZINC000330824367 264048104 /nfs/dbraw/zinc/04/81/04/264048104.db2.gz QMGNNJKNNIVENJ-GFCCVEGCSA-N 0 3 279.384 2.664 20 30 CFEDHN CC[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)N(CC)CC ZINC000330883400 264062236 /nfs/dbraw/zinc/06/22/36/264062236.db2.gz BEXCRMXWESLQJN-IIAWOOMASA-N 0 3 279.428 2.695 20 30 CFEDHN CCCn1cc(C(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000330972639 264100109 /nfs/dbraw/zinc/10/01/09/264100109.db2.gz NEUDXKTZSAAHKH-UHFFFAOYSA-N 0 3 292.427 2.720 20 30 CFEDHN CCN1CCC(NC(=O)c2ncccc2OC(C)C)CC1 ZINC000331155230 264141387 /nfs/dbraw/zinc/14/13/87/264141387.db2.gz DFUGLYHQVASVLR-UHFFFAOYSA-N 0 3 291.395 2.658 20 30 CFEDHN CC[C@H](CC#N)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000331210157 264162415 /nfs/dbraw/zinc/16/24/15/264162415.db2.gz XHZXVAXXQRGKPX-UKRRQHHQSA-N 0 3 277.412 2.592 20 30 CFEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)NC(=O)NC(C)(C)C ZINC000331330684 264191917 /nfs/dbraw/zinc/19/19/17/264191917.db2.gz HMFKPIQOGBZUCL-LBPRGKRZSA-N 0 3 297.443 2.716 20 30 CFEDHN C#CCCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000126713073 264214981 /nfs/dbraw/zinc/21/49/81/264214981.db2.gz YKYDXMZSRZSALI-SJPCQFCGSA-N 0 3 285.387 2.576 20 30 CFEDHN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000073766875 264298790 /nfs/dbraw/zinc/29/87/90/264298790.db2.gz BYZCWICJRUVQQL-RDTXWAMCSA-N 0 3 299.418 2.950 20 30 CFEDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000475740235 264339662 /nfs/dbraw/zinc/33/96/62/264339662.db2.gz BJSXKHXWUJOVFF-RBSFLKMASA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000076810878 264343736 /nfs/dbraw/zinc/34/37/36/264343736.db2.gz JXUNJUTTZRQXTL-VNHYZAJKSA-N 0 3 290.382 2.694 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(-c2ccccn2)nc1 ZINC000425488949 264355401 /nfs/dbraw/zinc/35/54/01/264355401.db2.gz KFAFYMSVETZGTP-MSOLQXFVSA-N 0 3 295.386 2.967 20 30 CFEDHN N#CC1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000057879037 264419522 /nfs/dbraw/zinc/41/95/22/264419522.db2.gz RVCDSYNQHOSILT-UHFFFAOYSA-N 0 3 291.782 2.904 20 30 CFEDHN COC[C@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC000183446392 264568160 /nfs/dbraw/zinc/56/81/60/264568160.db2.gz SLCYPXYLUWDLKY-HNNXBMFYSA-N 0 3 263.768 2.706 20 30 CFEDHN CCCCOc1cccc(CNC(=O)C(C)C#N)c1 ZINC000345808466 265100494 /nfs/dbraw/zinc/10/04/94/265100494.db2.gz BVZVLGCYUYORMV-LBPRGKRZSA-N 0 3 260.337 2.641 20 30 CFEDHN C[C@H](CN1CCCCC1)NCc1cc(C#N)cs1 ZINC000093492322 265184298 /nfs/dbraw/zinc/18/42/98/265184298.db2.gz GYFJBVSTSAQGDC-GFCCVEGCSA-N 0 3 263.410 2.584 20 30 CFEDHN CC1(C)CC[C@@H](CNCc2cc(C#N)cs2)O1 ZINC000189729539 265954429 /nfs/dbraw/zinc/95/44/29/265954429.db2.gz YNEOOUGHSMUVGE-NSHDSACASA-N 0 3 250.367 2.667 20 30 CFEDHN Cc1ccc(Br)cc1CNC(=O)C(C)C#N ZINC000336566935 265966858 /nfs/dbraw/zinc/96/68/58/265966858.db2.gz TVNFASYNKDITOM-SECBINFHSA-N 0 3 281.153 2.533 20 30 CFEDHN C=CCCC1(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000356311086 266093801 /nfs/dbraw/zinc/09/38/01/266093801.db2.gz AKHJMYYGXAEDDC-KGLIPLIRSA-N 0 3 264.413 2.578 20 30 CFEDHN CC[C@@H]1C[C@H](CN(C[C@H](C)C#N)C2CC2)CCO1 ZINC000356976244 266222877 /nfs/dbraw/zinc/22/28/77/266222877.db2.gz CJJUXOTVGGGDHC-UMVBOHGHSA-N 0 3 250.386 2.816 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](C)CC1 ZINC000357395357 266289857 /nfs/dbraw/zinc/28/98/57/266289857.db2.gz YDKMVSWJDWKZRM-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc(CC)c(C)s2)CC1 ZINC000357584457 266330555 /nfs/dbraw/zinc/33/05/55/266330555.db2.gz UNWPWRDDFDLFCI-UHFFFAOYSA-N 0 3 292.448 2.999 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000357822700 266372354 /nfs/dbraw/zinc/37/23/54/266372354.db2.gz USXLAYKEJILZQT-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN COc1ccccc1CC1CCN(C(=O)C(C)C#N)CC1 ZINC000357882951 266382141 /nfs/dbraw/zinc/38/21/41/266382141.db2.gz ASHCVFWRXLTPEX-CYBMUJFWSA-N 0 3 286.375 2.636 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1CF ZINC000359595203 266604621 /nfs/dbraw/zinc/60/46/21/266604621.db2.gz LHHVAOLBMHYLOL-CABCVRRESA-N 0 3 274.339 2.719 20 30 CFEDHN Cc1cccc(CN(CCN(C)C)C(=O)CCCC#N)c1 ZINC000360382793 266712045 /nfs/dbraw/zinc/71/20/45/266712045.db2.gz UVXMDNIFUDODGF-UHFFFAOYSA-N 0 3 287.407 2.579 20 30 CFEDHN CC(C)[C@H](NCc1ccc(C#N)cn1)C1(CO)CCCC1 ZINC000516310014 266955837 /nfs/dbraw/zinc/95/58/37/266955837.db2.gz CREUEWFASYTKSF-INIZCTEOSA-N 0 3 287.407 2.620 20 30 CFEDHN C=C[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000362612856 267022119 /nfs/dbraw/zinc/02/21/19/267022119.db2.gz JDOVEBKAVLKANG-AWEZNQCLSA-N 0 3 272.392 2.589 20 30 CFEDHN C=C[C@H](C)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000362632007 267027575 /nfs/dbraw/zinc/02/75/75/267027575.db2.gz WDGXUBKHUQGDSZ-KBPBESRZSA-N 0 3 289.423 2.990 20 30 CFEDHN C=CCN(Cc1ccno1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363185365 267079233 /nfs/dbraw/zinc/07/92/33/267079233.db2.gz XJFDCTCTHZYNSX-KRWDZBQOSA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000115554640 267099893 /nfs/dbraw/zinc/09/98/93/267099893.db2.gz VRQLZXTUYFXKOE-IJEWVQPXSA-N 0 3 272.392 2.555 20 30 CFEDHN CO[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4ccc(F)cc4)[C@H]1[C@H]3C2 ZINC000367608836 267104873 /nfs/dbraw/zinc/10/48/73/267104873.db2.gz ZZCYMCFKZBRRPU-YECZKDOJSA-N 0 3 285.362 2.532 20 30 CFEDHN C[C@H]1CCOCCN1Cc1ccc(N(C)CCC#N)cc1 ZINC000367711587 267112336 /nfs/dbraw/zinc/11/23/36/267112336.db2.gz YQNVAOOTTDTXBZ-HNNXBMFYSA-N 0 3 287.407 2.647 20 30 CFEDHN C=CCCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000367977985 267131984 /nfs/dbraw/zinc/13/19/84/267131984.db2.gz SOAFXFSGYAVDSG-OAHLLOKOSA-N 0 3 270.392 2.624 20 30 CFEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000399701951 267142472 /nfs/dbraw/zinc/14/24/72/267142472.db2.gz YBJIUPYDFQTFOT-YIYPIFLZSA-N 0 3 285.391 2.862 20 30 CFEDHN CC1(C)CN(CCCSCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000368055153 267142908 /nfs/dbraw/zinc/14/29/08/267142908.db2.gz HGTPHJXCRUFBNO-QWHCGFSZSA-N 0 3 268.426 2.523 20 30 CFEDHN N#CCCCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000369213644 267226679 /nfs/dbraw/zinc/22/66/79/267226679.db2.gz GZQIPBDTDPZPQO-UHFFFAOYSA-N 0 3 268.364 2.633 20 30 CFEDHN Cc1cc(NC[C@H](C)N(C)Cc2ccccc2)c(C#N)cn1 ZINC000399558217 267299400 /nfs/dbraw/zinc/29/94/00/267299400.db2.gz FUJAGDZUKQBEAB-HNNXBMFYSA-N 0 3 294.402 2.616 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000370367147 267312010 /nfs/dbraw/zinc/31/20/10/267312010.db2.gz NRRROYPMBNPORI-CYBMUJFWSA-N 0 3 251.333 2.818 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC23CCC(CC2)C3)CC1 ZINC000371090364 267350492 /nfs/dbraw/zinc/35/04/92/267350492.db2.gz XEUSSXABKBODKK-UHFFFAOYSA-N 0 3 291.439 2.516 20 30 CFEDHN N#CC1(CNC2CCN(c3ccccc3)CC2)CCC1 ZINC000418142734 267364180 /nfs/dbraw/zinc/36/41/80/267364180.db2.gz NPKRMNLSKFRGGN-UHFFFAOYSA-N 0 3 269.392 2.939 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000120111414 267382298 /nfs/dbraw/zinc/38/22/98/267382298.db2.gz DJDUYARSXPEOOJ-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCCCC(C)(C)C#N ZINC000376658552 268007373 /nfs/dbraw/zinc/00/73/73/268007373.db2.gz RDMBOMCAATXYFK-ZNMIVQPWSA-N 0 3 292.423 2.980 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000377100857 268047400 /nfs/dbraw/zinc/04/74/00/268047400.db2.gz RAXFFPFRMQMJLM-RDJZCZTQSA-N 0 3 284.403 2.569 20 30 CFEDHN COC(=O)[C@H]1CC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC000377197107 268054394 /nfs/dbraw/zinc/05/43/94/268054394.db2.gz KQDCXJJYZDODPI-MEJIKEQKSA-N 0 3 298.386 2.542 20 30 CFEDHN Cn1ncc2c1CCC[C@H]2N[C@H]1CCc2ccc(C#N)cc21 ZINC000519037886 268134778 /nfs/dbraw/zinc/13/47/78/268134778.db2.gz OVYWTPORSQHBDG-SJORKVTESA-N 0 3 292.386 2.946 20 30 CFEDHN N#Cc1ccc(CNCC[C@@H]2CCCOC2)c(F)c1 ZINC000527740747 268232025 /nfs/dbraw/zinc/23/20/25/268232025.db2.gz UVCZYKPDFAJQPO-LBPRGKRZSA-N 0 3 262.328 2.604 20 30 CFEDHN COCCCCN(C)Cc1ccc(C#N)cc1F ZINC000397295993 270317245 /nfs/dbraw/zinc/31/72/45/270317245.db2.gz KBFVCRRMNGQTRF-UHFFFAOYSA-N 0 3 250.317 2.556 20 30 CFEDHN N#Cc1cccc(C2(NC[C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000516930489 270391512 /nfs/dbraw/zinc/39/15/12/270391512.db2.gz QJRPLFQUWSPOHE-HOCLYGCPSA-N 0 3 270.376 2.688 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000343496425 273487028 /nfs/dbraw/zinc/48/70/28/273487028.db2.gz FTTWGVVOHWRIEC-RHSMWYFYSA-N 0 3 297.402 2.776 20 30 CFEDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc(C#N)cc1C(F)(F)F ZINC000352894396 273593806 /nfs/dbraw/zinc/59/38/06/273593806.db2.gz MTMKEMYEWSTHOT-CHWSQXEVSA-N 0 3 298.308 2.826 20 30 CFEDHN CCCN1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000487889240 273614302 /nfs/dbraw/zinc/61/43/02/273614302.db2.gz AHUKZAZNUBNQPY-UHFFFAOYSA-N 0 3 294.402 2.947 20 30 CFEDHN C#CCCCCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000186495647 275379197 /nfs/dbraw/zinc/37/91/97/275379197.db2.gz BMJPXQQAAYDMLA-CRAIPNDOSA-N 0 3 286.419 2.988 20 30 CFEDHN C#CCN(C)CCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000294877114 275380392 /nfs/dbraw/zinc/38/03/92/275380392.db2.gz DDFZKMYTQDCIHN-MRXNPFEDSA-N 0 3 288.439 2.576 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@]2(CCOC2)C1 ZINC000335242968 275388676 /nfs/dbraw/zinc/38/86/76/275388676.db2.gz ZVKLJTPVPASRNE-KRWDZBQOSA-N 0 3 255.361 2.541 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cncs1)C(C)C ZINC000264940260 275425578 /nfs/dbraw/zinc/42/55/78/275425578.db2.gz VPSVLOKWOZZHAD-ZDUSSCGKSA-N 0 3 293.436 2.572 20 30 CFEDHN C=CCC[C@@H](NCc1ncccc1N(C)C)C1CC1 ZINC000289835041 275743359 /nfs/dbraw/zinc/74/33/59/275743359.db2.gz PNKCGRGLEOPSDZ-CQSZACIVSA-N 0 3 259.397 2.982 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H](N2CCCCC2)C1 ZINC000317263570 275803375 /nfs/dbraw/zinc/80/33/75/275803375.db2.gz MNLZKPURHUIXTH-MRXNPFEDSA-N 0 3 297.402 2.825 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000456961804 275951308 /nfs/dbraw/zinc/95/13/08/275951308.db2.gz IJMPTSICGCYHKW-LBPRGKRZSA-N 0 3 273.380 2.972 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000342542219 276007112 /nfs/dbraw/zinc/00/71/12/276007112.db2.gz SBBLNDDDSQCWAM-XJKSGUPXSA-N 0 3 285.391 2.610 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343704009 276242002 /nfs/dbraw/zinc/24/20/02/276242002.db2.gz DHUWNBBYAYBPAV-HUUCEWRRSA-N 0 3 271.408 2.667 20 30 CFEDHN CCN(CCNCc1ccc(C#N)cc1)C(=O)[C@H]1CC1(C)C ZINC001273334881 782050053 /nfs/dbraw/zinc/05/00/53/782050053.db2.gz LIJBKLQYHXTJGR-MRXNPFEDSA-N 0 3 299.418 2.542 20 30 CFEDHN C=CCCC1(C(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 ZINC000355799868 276883447 /nfs/dbraw/zinc/88/34/47/276883447.db2.gz YXZVFEHIEOUGPD-OAHLLOKOSA-N 0 3 276.424 2.820 20 30 CFEDHN C=CCCCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000179559925 276884312 /nfs/dbraw/zinc/88/43/12/276884312.db2.gz LKBJRUZUBUKJAK-MRXNPFEDSA-N 0 3 272.392 2.906 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000292695331 276886958 /nfs/dbraw/zinc/88/69/58/276886958.db2.gz KMEFWYPKKCLFBZ-IAGOWNOFSA-N 0 3 289.419 2.807 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC000292809807 277072994 /nfs/dbraw/zinc/07/29/94/277072994.db2.gz NZESYIFUVMJVKP-OAHLLOKOSA-N 0 3 290.798 2.529 20 30 CFEDHN CN1Cc2ccccc2[C@H](NCc2ccc(C#N)cc2)C1 ZINC000372882154 277212883 /nfs/dbraw/zinc/21/28/83/277212883.db2.gz OMSRGFWIOKTGPC-GOSISDBHSA-N 0 3 277.371 2.835 20 30 CFEDHN CO[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[C@@H]1C ZINC000248883790 277299725 /nfs/dbraw/zinc/29/97/25/277299725.db2.gz DODVARXCKXFYSR-HEHGZKQESA-N 0 3 258.365 2.976 20 30 CFEDHN CC(C)(CO)[C@@H](NCc1ccc(F)cc1C#N)C1CC1 ZINC000339724384 277304484 /nfs/dbraw/zinc/30/44/84/277304484.db2.gz VIXCXYQMKZQROO-HNNXBMFYSA-N 0 3 276.355 2.584 20 30 CFEDHN COC(=O)[C@@H]1CCCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249276822 277347977 /nfs/dbraw/zinc/34/79/77/277347977.db2.gz MZRBYEVIMGXBMQ-SWLSCSKDSA-N 0 3 272.348 2.504 20 30 CFEDHN COC(=O)[C@@]1(C)CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246631727 277377967 /nfs/dbraw/zinc/37/79/67/277377967.db2.gz WEXSMXDSRKIPNL-LRDDRELGSA-N 0 3 272.348 2.504 20 30 CFEDHN CC(C)CN1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391421 277404672 /nfs/dbraw/zinc/40/46/72/277404672.db2.gz NEDZKUHBDINFPF-OAHLLOKOSA-N 0 3 271.408 2.893 20 30 CFEDHN CC(C)(C#N)CCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000347109038 278257298 /nfs/dbraw/zinc/25/72/98/278257298.db2.gz OUTROPSFYDEBOD-INIZCTEOSA-N 0 3 280.412 2.586 20 30 CFEDHN CC(C#N)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000345744693 279180870 /nfs/dbraw/zinc/18/08/70/279180870.db2.gz DJVFNZJJYKPZKV-SECBINFHSA-N 0 3 287.750 2.866 20 30 CFEDHN N#Cc1cccc(C#N)c1N1CCC[C@H](N2CCCCC2)C1 ZINC000370064747 279531987 /nfs/dbraw/zinc/53/19/87/279531987.db2.gz WTWWIERULNDGPM-KRWDZBQOSA-N 0 3 294.402 2.885 20 30 CFEDHN CC(C)[C@@H](CCO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358559923 279831277 /nfs/dbraw/zinc/83/12/77/279831277.db2.gz DXFGCJIARJEWQQ-XHDPSFHLSA-N 0 3 264.344 2.755 20 30 CFEDHN C[C@H]1C[C@H](Nc2nccc(C#N)c2Cl)CCN1C ZINC000235716350 280014290 /nfs/dbraw/zinc/01/42/90/280014290.db2.gz YCYCGFCDDILCCI-GXSJLCMTSA-N 0 3 264.760 2.501 20 30 CFEDHN Cc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1C#N ZINC000375825603 280775164 /nfs/dbraw/zinc/77/51/64/280775164.db2.gz QDNCUKOQOZJPDR-WMLDXEAASA-N 0 3 297.402 2.566 20 30 CFEDHN Cc1cc(CCNCc2ccc(C#N)o2)cc(C)c1O ZINC000190396981 280887623 /nfs/dbraw/zinc/88/76/23/280887623.db2.gz AGHPPEFPTNNVSG-UHFFFAOYSA-N 0 3 270.332 2.806 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@@H]2CCCO[C@H]21 ZINC000246392433 280983373 /nfs/dbraw/zinc/98/33/73/280983373.db2.gz PLWDPBXRNXGYSX-NUEKZKHPSA-N 0 3 288.366 2.991 20 30 CFEDHN CC1(C)CCC[C@]1(O)CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000329477103 281069525 /nfs/dbraw/zinc/06/95/25/281069525.db2.gz BUDODAINJIYGBY-PBHICJAKSA-N 0 3 294.439 2.759 20 30 CFEDHN N#Cc1cccc(CCNCc2cnc(C3CC3)nc2)c1 ZINC000459545083 281268983 /nfs/dbraw/zinc/26/89/83/281268983.db2.gz RZNACUGJWLASES-UHFFFAOYSA-N 0 3 278.359 2.558 20 30 CFEDHN N#Cc1ccc2ncc(CNCCC3(F)CCC3)n2c1 ZINC000516338897 281302893 /nfs/dbraw/zinc/30/28/93/281302893.db2.gz CDDRNUYBQQKIRK-UHFFFAOYSA-N 0 3 272.327 2.578 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H](CO)C1CCCCC1 ZINC000541053856 281597419 /nfs/dbraw/zinc/59/74/19/281597419.db2.gz RAJHQQGJOKSPEH-MRXNPFEDSA-N 0 3 288.391 2.598 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000335839825 289235507 /nfs/dbraw/zinc/23/55/07/289235507.db2.gz AOCVOBWFEMACFE-CJNGLKHVSA-N 0 3 256.349 2.770 20 30 CFEDHN N#Cc1ccsc1NC(=O)CN[C@@H]1CC2CCC1CC2 ZINC000562424008 290042318 /nfs/dbraw/zinc/04/23/18/290042318.db2.gz AYBOYYRLWHAWCJ-GCZXYKMCSA-N 0 3 289.404 2.727 20 30 CFEDHN CN1CC[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)C1 ZINC000336626800 290125984 /nfs/dbraw/zinc/12/59/84/290125984.db2.gz DDWNDWKKSBBCHX-TUBUQKNSSA-N 0 3 291.439 2.553 20 30 CFEDHN CN1CC[C@H](Nc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000270284696 290226139 /nfs/dbraw/zinc/22/61/39/290226139.db2.gz MYEGORISFKNCMK-RDJZCZTQSA-N 0 3 278.359 2.811 20 30 CFEDHN CC(C)[C@@H]1CCCCN1Cc1cnc2c(C#N)cnn2c1 ZINC000564989577 290255288 /nfs/dbraw/zinc/25/52/88/290255288.db2.gz RQOCNEKJNKGGPU-HNNXBMFYSA-N 0 3 283.379 2.611 20 30 CFEDHN C[C@@H]1C[C@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301988 290368581 /nfs/dbraw/zinc/36/85/81/290368581.db2.gz RGUDDPHSVXGKLO-MNOVXSKESA-N 0 3 259.309 2.697 20 30 CFEDHN C[C@@H]1C[C@@H](C)N(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301987 290369129 /nfs/dbraw/zinc/36/91/29/290369129.db2.gz RGUDDPHSVXGKLO-GHMZBOCLSA-N 0 3 259.309 2.697 20 30 CFEDHN Cc1ccnc(N(CCN(C)C)C2CCCC2)c1C#N ZINC000360086895 302269030 /nfs/dbraw/zinc/26/90/30/302269030.db2.gz ZZUXKXRNRYFPAQ-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC[C@H]2CSc3ccccc3O2)C1 ZINC000575311761 335092103 /nfs/dbraw/zinc/09/21/03/335092103.db2.gz WQEZEDVHASMQAF-UPJWGTAASA-N 0 3 274.389 2.822 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001085475443 782071713 /nfs/dbraw/zinc/07/17/13/782071713.db2.gz AUOKVRRPOSGJSE-AWEZNQCLSA-N 0 3 278.421 2.861 20 30 CFEDHN C=CCCC[C@H](C)NCCS(=O)(=O)c1ccccc1 ZINC000580184496 327724590 /nfs/dbraw/zinc/72/45/90/327724590.db2.gz FAIKXRYBOBTLCG-AWEZNQCLSA-N 0 3 281.421 2.795 20 30 CFEDHN N#CCCNC1CCC(Oc2ccccc2C#N)CC1 ZINC000562999399 327740444 /nfs/dbraw/zinc/74/04/44/327740444.db2.gz MLIVCKXFJHWQCP-UHFFFAOYSA-N 0 3 269.348 2.752 20 30 CFEDHN Cc1ccccc1[C@@H](O)CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185824601 327846650 /nfs/dbraw/zinc/84/66/50/327846650.db2.gz DVPZEZXTZXCDFC-LZWOXQAQSA-N 0 3 258.365 2.700 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(Br)cs1 ZINC000320229687 327957912 /nfs/dbraw/zinc/95/79/12/327957912.db2.gz DNXILJFOGGCQKQ-SNVBAGLBSA-N 0 3 290.226 2.927 20 30 CFEDHN N#CCCC1CCN(CCOc2ccccc2C#N)CC1 ZINC000571080318 328084763 /nfs/dbraw/zinc/08/47/63/328084763.db2.gz WFKISYZTHJNUME-UHFFFAOYSA-N 0 3 283.375 2.953 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc2c(n1)CCC2 ZINC000571142737 328087816 /nfs/dbraw/zinc/08/78/16/328087816.db2.gz DKZUGSNOKMYXKF-YOEHRIQHSA-N 0 3 272.392 2.641 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@@H]1CCOC2(CCCC2)C1 ZINC000571614968 328138047 /nfs/dbraw/zinc/13/80/47/328138047.db2.gz ULACEYIBBUYAFD-UONOGXRCSA-N 0 3 261.369 2.511 20 30 CFEDHN N#CCCCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264167746 328158330 /nfs/dbraw/zinc/15/83/30/328158330.db2.gz XTJGDLJNRFPABY-UHFFFAOYSA-N 0 3 269.348 2.705 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc([S@@](C)=O)cc1 ZINC000274641858 328212463 /nfs/dbraw/zinc/21/24/63/328212463.db2.gz RHWUVECZVCOEAH-XPRARXKLSA-N 0 3 276.405 2.767 20 30 CFEDHN Cc1cccc(CN2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278600633 328227832 /nfs/dbraw/zinc/22/78/32/328227832.db2.gz LUWMMICBYVCAIO-FUHWJXTLSA-N 0 3 283.419 2.805 20 30 CFEDHN N#CCCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278633743 328228908 /nfs/dbraw/zinc/22/89/08/328228908.db2.gz HBZXDUOPHXUKCX-CQSZACIVSA-N 0 3 259.309 2.866 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000282509243 328242609 /nfs/dbraw/zinc/24/26/09/328242609.db2.gz YTDWLINBNKJZIJ-HONMWMINSA-N 0 3 264.756 2.655 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085528521 782087875 /nfs/dbraw/zinc/08/78/75/782087875.db2.gz ANBBEHBHWDXTAM-MRXNPFEDSA-N 0 3 287.407 2.503 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000298337566 328295763 /nfs/dbraw/zinc/29/57/63/328295763.db2.gz BHMJBFGBAGBDQU-PBHICJAKSA-N 0 3 290.382 2.745 20 30 CFEDHN C[C@H](CCC#N)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000298629472 328296956 /nfs/dbraw/zinc/29/69/56/328296956.db2.gz VRDIPWNHAOUNAV-GFCCVEGCSA-N 0 3 261.325 2.761 20 30 CFEDHN C[C@H](NCCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551046 328306622 /nfs/dbraw/zinc/30/66/22/328306622.db2.gz ZTLONDZWXZJDOW-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN CCC[C@H](C)[C@H](CO)NCc1cccc(C#N)c1F ZINC000570215322 322520120 /nfs/dbraw/zinc/52/01/20/322520120.db2.gz HNFQYHIAWJXUKY-FZMZJTMJSA-N 0 3 264.344 2.584 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccc(C#N)cc2)cc1 ZINC000174560046 323651375 /nfs/dbraw/zinc/65/13/75/323651375.db2.gz GFRUIBDNRHWCHE-UHFFFAOYSA-N 0 3 277.327 2.599 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415989888 328432744 /nfs/dbraw/zinc/43/27/44/328432744.db2.gz LWNJFLMCVGFICQ-ZDUSSCGKSA-N 0 3 289.379 2.645 20 30 CFEDHN CO[C@@]1(C)C[C@@H](N(C)Cc2ccc(C#N)cn2)C1(C)C ZINC000581377734 325115839 /nfs/dbraw/zinc/11/58/39/325115839.db2.gz NFHTXGUUZSLJKI-ZBFHGGJFSA-N 0 3 273.380 2.589 20 30 CFEDHN CC(C)(C)CCN1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000582277853 325191219 /nfs/dbraw/zinc/19/12/19/325191219.db2.gz BRMPONRTEINXIM-UHFFFAOYSA-N 0 3 286.423 2.507 20 30 CFEDHN CC(C)CCN(Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582606854 325218520 /nfs/dbraw/zinc/21/85/20/325218520.db2.gz YYDXVPZCWCLXBZ-UHFFFAOYSA-N 0 3 283.379 2.611 20 30 CFEDHN CS[C@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC000582642660 325221730 /nfs/dbraw/zinc/22/17/30/325221730.db2.gz RYIAODWIELRJPU-AWEZNQCLSA-N 0 3 261.394 2.671 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCOc1ncccc1F)CC2 ZINC000583351177 325280125 /nfs/dbraw/zinc/28/01/25/325280125.db2.gz NGLAXWQZWCOWAC-MRXNPFEDSA-N 0 3 297.333 2.748 20 30 CFEDHN C[C@H]1CC[C@@]2(CCN(Cc3cnc4c(C#N)cnn4c3)C2)C1 ZINC000583500155 325292012 /nfs/dbraw/zinc/29/20/12/325292012.db2.gz OJXPNOVXEAECBW-SUMWQHHRSA-N 0 3 295.390 2.613 20 30 CFEDHN C[C@@H](c1ccccc1)[C@H](O)CNCc1ccc(C#N)cc1 ZINC000583625780 325299867 /nfs/dbraw/zinc/29/98/67/325299867.db2.gz LTVAMQZOOCPENG-KBXCAEBGSA-N 0 3 280.371 2.812 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c(C#N)c1)C(C)(C)C ZINC000290225207 328530105 /nfs/dbraw/zinc/53/01/05/328530105.db2.gz SEPVIPIBYMARGR-OAHLLOKOSA-N 0 3 256.349 2.704 20 30 CFEDHN N#CC1CCN(Cc2ccnc3ccccc23)CC1 ZINC000092347741 327103210 /nfs/dbraw/zinc/10/32/10/327103210.db2.gz OQZNOUMMLJJQRC-UHFFFAOYSA-N 0 3 251.333 2.970 20 30 CFEDHN Cc1[nH]nc2ncc(CN3CCC(CCC#N)CC3)cc12 ZINC000564452923 327119715 /nfs/dbraw/zinc/11/97/15/327119715.db2.gz NXRDQPBNSBLORI-UHFFFAOYSA-N 0 3 283.379 2.782 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC(C)(C)CC1 ZINC000127048783 327149057 /nfs/dbraw/zinc/14/90/57/327149057.db2.gz FIPURRMYSPKCEX-RHSMWYFYSA-N 0 3 293.455 2.941 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@]2(CCSC2)C1 ZINC000572598895 327172534 /nfs/dbraw/zinc/17/25/34/327172534.db2.gz CZHWKJDAEYFIGM-UONOGXRCSA-N 0 3 255.427 2.939 20 30 CFEDHN N#CCC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000584311157 327255364 /nfs/dbraw/zinc/25/53/64/327255364.db2.gz XFLQRYJBDHGNPJ-UHFFFAOYSA-N 0 3 258.321 2.541 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(OC)cc1F ZINC000565084507 327459740 /nfs/dbraw/zinc/45/97/40/327459740.db2.gz WNCXTGJJPXVSLN-CJNGLKHVSA-N 0 3 279.355 2.905 20 30 CFEDHN COC(=O)c1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000260348303 327516579 /nfs/dbraw/zinc/51/65/79/327516579.db2.gz BSIAZXIOOKLKOY-UHFFFAOYSA-N 0 3 272.348 2.599 20 30 CFEDHN COC(=O)C[C@H](NC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000347954436 533708874 /nfs/dbraw/zinc/70/88/74/533708874.db2.gz HBBVFXDCFGTNIK-HIFRSBDPSA-N 0 3 291.395 2.532 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC(C)(C)C(C)C)CC1 ZINC000582443071 328997612 /nfs/dbraw/zinc/99/76/12/328997612.db2.gz XWIZLOBJNXCZPE-UHFFFAOYSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCC[C@@H](O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000305100291 329004166 /nfs/dbraw/zinc/00/41/66/329004166.db2.gz XLEKCUVBMQCLET-OFLPRAFFSA-N 0 3 280.456 2.510 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000377629303 329021936 /nfs/dbraw/zinc/02/19/36/329021936.db2.gz RGNOETJPNOWLAZ-QFBILLFUSA-N 0 3 277.367 2.978 20 30 CFEDHN CN1CC[C@H](NCCCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377670945 329023835 /nfs/dbraw/zinc/02/38/35/329023835.db2.gz OWSWCBHTGSIWQC-GJZGRUSLSA-N 0 3 277.799 2.979 20 30 CFEDHN C=CCC[C@@H](O)CN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000377730236 329027319 /nfs/dbraw/zinc/02/73/19/329027319.db2.gz XOHKIJQFBZQXDU-OAHLLOKOSA-N 0 3 287.403 2.870 20 30 CFEDHN N#CCSCCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377768599 329028593 /nfs/dbraw/zinc/02/85/93/329028593.db2.gz RFTKNBKSVCJBFX-KBPBESRZSA-N 0 3 280.437 2.667 20 30 CFEDHN C=CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377898329 329034008 /nfs/dbraw/zinc/03/40/08/329034008.db2.gz OUCVOOPGKJVRRM-INIZCTEOSA-N 0 3 282.403 2.624 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@@H](c2ccncn2)C1 ZINC000378331686 329046367 /nfs/dbraw/zinc/04/63/67/329046367.db2.gz GMQZCKOEGPIPPG-CQSZACIVSA-N 0 3 272.396 2.986 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H](C)CCC)CC1 ZINC000171716275 329078809 /nfs/dbraw/zinc/07/88/09/329078809.db2.gz TZJZKFNBXUTAPP-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN N#CC1(c2ccccc2)CC(N[C@H]2CCSC2)C1 ZINC000219194624 329147421 /nfs/dbraw/zinc/14/74/21/329147421.db2.gz MDHNEIVCXJARRD-NFOMZHRRSA-N 0 3 258.390 2.705 20 30 CFEDHN C=CCSCCNCc1cn(C)nc1C(C)(C)C ZINC000219879421 329176328 /nfs/dbraw/zinc/17/63/28/329176328.db2.gz UHYMPWVNHBGUNB-UHFFFAOYSA-N 0 3 267.442 2.726 20 30 CFEDHN CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCOC1 ZINC000177373105 329186064 /nfs/dbraw/zinc/18/60/64/329186064.db2.gz FDSKEPNCXAFHJC-AWEZNQCLSA-N 0 3 263.768 2.660 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1cc(C)ccc1OC ZINC000321021994 329214366 /nfs/dbraw/zinc/21/43/66/329214366.db2.gz OKQZNXFRLJETJM-UONOGXRCSA-N 0 3 263.381 2.981 20 30 CFEDHN C[C@H](O)[C@@H]1CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000180855542 329223414 /nfs/dbraw/zinc/22/34/14/329223414.db2.gz DKVPCOBMQMOTBU-GOEBONIOSA-N 0 3 288.391 2.572 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(F)c(Cl)c1 ZINC000321035945 329226937 /nfs/dbraw/zinc/22/69/37/329226937.db2.gz RMEYAODJYDXYPH-LLVKDONJSA-N 0 3 257.736 2.896 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC000183677470 329249279 /nfs/dbraw/zinc/24/92/79/329249279.db2.gz YHWCZBTUBDWDSZ-KGLIPLIRSA-N 0 3 266.429 2.825 20 30 CFEDHN N#CCC[C@@H](C#N)CNC1CCC(C(F)F)CC1 ZINC000582960030 329290085 /nfs/dbraw/zinc/29/00/85/329290085.db2.gz XMHJRANBUMWEMV-UNXYVOJBSA-N 0 3 255.312 2.843 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(F)cc1F ZINC000321287825 329340485 /nfs/dbraw/zinc/34/04/85/329340485.db2.gz GYPFTYCVGVZBGS-ZYHUDNBSSA-N 0 3 255.308 2.943 20 30 CFEDHN CO[C@H](CN1CCC(CC#N)CC1)c1ccccc1 ZINC000397111860 329343627 /nfs/dbraw/zinc/34/36/27/329343627.db2.gz CRLXINPFYBWQNS-MRXNPFEDSA-N 0 3 258.365 3.000 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCC2(CC2)C1 ZINC000186980406 329352416 /nfs/dbraw/zinc/35/24/16/329352416.db2.gz KIEOHHIAYRDAFA-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OC(C)C)c(OC)c1 ZINC000321539180 329372485 /nfs/dbraw/zinc/37/24/85/329372485.db2.gz ZWBGVQHBCNIDEL-HNNXBMFYSA-N 0 3 293.407 2.899 20 30 CFEDHN C=CCCC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000191954383 329422901 /nfs/dbraw/zinc/42/29/01/329422901.db2.gz PTOXNEOGEWYXRV-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN C=CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192018724 329425065 /nfs/dbraw/zinc/42/50/65/329425065.db2.gz BONXSPSPDGGUMK-MRXNPFEDSA-N 0 3 270.376 2.838 20 30 CFEDHN CC[C@@H](CC#N)NCCCOc1ccc(OC)cc1 ZINC000584538704 329518255 /nfs/dbraw/zinc/51/82/55/329518255.db2.gz YHUILPUOOIXXID-ZDUSSCGKSA-N 0 3 262.353 2.746 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(c2nc(C)cs2)CC1 ZINC000124950769 329575732 /nfs/dbraw/zinc/57/57/32/329575732.db2.gz RVIFURJQZYCKJK-AWEZNQCLSA-N 0 3 280.437 2.958 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(C2CC2)cc1 ZINC000419365890 329720567 /nfs/dbraw/zinc/72/05/67/329720567.db2.gz YPWFMOWCPZETNB-CQSZACIVSA-N 0 3 299.418 2.977 20 30 CFEDHN COCC(C)(C)NCc1cccc(OCCCC#N)c1 ZINC000066995966 329850349 /nfs/dbraw/zinc/85/03/49/329850349.db2.gz HXTRBGZKVPKXAS-UHFFFAOYSA-N 0 3 276.380 2.884 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COCc1ccccc1Cl ZINC000068048759 329851807 /nfs/dbraw/zinc/85/18/07/329851807.db2.gz JRZOOHPULOCSEB-HNNXBMFYSA-N 0 3 295.810 2.892 20 30 CFEDHN C=CCC1(C(=O)N(C)C[C@@H]2CCCN2C)CCCC1 ZINC000421709708 330069217 /nfs/dbraw/zinc/06/92/17/330069217.db2.gz GNQVFTCDBWVIPI-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN O=C(NCC#Cc1ccccc1)[C@H]1CCCN1C1CCCC1 ZINC000269668301 330070223 /nfs/dbraw/zinc/07/02/23/330070223.db2.gz ZMSNWQOPPCEANQ-GOSISDBHSA-N 0 3 296.414 2.561 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccccc1)C(C)C ZINC000272903692 330087474 /nfs/dbraw/zinc/08/74/74/330087474.db2.gz VPSMWPGPGRCPBP-OAHLLOKOSA-N 0 3 281.421 2.574 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)N(C)CCN(C)C)c1 ZINC000080186928 330113418 /nfs/dbraw/zinc/11/34/18/330113418.db2.gz KTAOMQHPZHSVSD-UHFFFAOYSA-N 0 3 291.395 2.667 20 30 CFEDHN CC#CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000278776791 330119694 /nfs/dbraw/zinc/11/96/94/330119694.db2.gz HBPVXKVSVUVGTG-DOTOQJQBSA-N 0 3 284.403 2.521 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(C)cc1 ZINC000424065489 330219282 /nfs/dbraw/zinc/21/92/82/330219282.db2.gz LYMDYDXYHZCBRN-GJZGRUSLSA-N 0 3 273.380 2.584 20 30 CFEDHN CC(C)C[C@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424068453 330219495 /nfs/dbraw/zinc/21/94/95/330219495.db2.gz SDVWKVZXVKLGKN-HOTGVXAUSA-N 0 3 287.407 2.911 20 30 CFEDHN C=CCC(CC=C)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424077442 330221042 /nfs/dbraw/zinc/22/10/42/330221042.db2.gz OMSVTYMUKXDWDT-HNNXBMFYSA-N 0 3 270.376 2.671 20 30 CFEDHN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](N)CCCC#N ZINC000424079644 330221817 /nfs/dbraw/zinc/22/18/17/330221817.db2.gz RMFMRQASKFTBOJ-WMLDXEAASA-N 0 3 299.418 2.835 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424083310 330222383 /nfs/dbraw/zinc/22/23/83/330222383.db2.gz AVXFFEUTFFBXFK-KGLIPLIRSA-N 0 3 293.798 2.928 20 30 CFEDHN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424086619 330222627 /nfs/dbraw/zinc/22/26/27/330222627.db2.gz DNLZHKVAJZUAMX-BXUZGUMPSA-N 0 3 293.798 2.881 20 30 CFEDHN CCCOc1cc(C)ccc1NC(=O)[C@H](N)CCCC#N ZINC000424084109 330222741 /nfs/dbraw/zinc/22/27/41/330222741.db2.gz DLIPCFHLTMHDEM-CYBMUJFWSA-N 0 3 289.379 2.744 20 30 CFEDHN CCCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCc2ccccc21 ZINC000424085489 330223049 /nfs/dbraw/zinc/22/30/49/330223049.db2.gz FUYXSAKLOKEGQJ-DLBZAZTESA-N 0 3 299.418 2.934 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000424085537 330223196 /nfs/dbraw/zinc/22/31/96/330223196.db2.gz FXMKUJMIRFELLS-GFCCVEGCSA-N 0 3 298.346 2.665 20 30 CFEDHN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H](N)CCCC#N ZINC000424087016 330223779 /nfs/dbraw/zinc/22/37/79/330223779.db2.gz CZVAWUWFWWZUBL-TZMCWYRMSA-N 0 3 299.374 2.940 20 30 CFEDHN CN(Cc1cccc2ccccc21)C(=O)[C@@H](N)CCCC#N ZINC000424090188 330224563 /nfs/dbraw/zinc/22/45/63/330224563.db2.gz XDXJASBSTUNKPF-KRWDZBQOSA-N 0 3 295.386 2.819 20 30 CFEDHN C[C@H](c1c(F)cccc1F)N(C)C(=O)[C@H](N)CCCC#N ZINC000424089792 330224710 /nfs/dbraw/zinc/22/47/10/330224710.db2.gz IHFMEWFXXWPMJH-ZWNOBZJWSA-N 0 3 295.333 2.505 20 30 CFEDHN CC(C)N(Cc1cccs1)C(=O)[C@@H](N)CCCC#N ZINC000424090741 330225374 /nfs/dbraw/zinc/22/53/74/330225374.db2.gz MUVFLHXEELZYTC-ZDUSSCGKSA-N 0 3 279.409 2.506 20 30 CFEDHN CC(C)N(Cc1cccs1)C(=O)[C@H](N)CCCC#N ZINC000424090739 330225378 /nfs/dbraw/zinc/22/53/78/330225378.db2.gz MUVFLHXEELZYTC-CYBMUJFWSA-N 0 3 279.409 2.506 20 30 CFEDHN CC[C@H]1c2ccsc2CCN1C(=O)[C@@H](N)CCCC#N ZINC000424091727 330225391 /nfs/dbraw/zinc/22/53/91/330225391.db2.gz FDWQRUNCLUVFSI-STQMWFEESA-N 0 3 291.420 2.605 20 30 CFEDHN Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424095721 330226862 /nfs/dbraw/zinc/22/68/62/330226862.db2.gz WUMQPUDEJIVEAK-JKSUJKDBSA-N 0 3 285.391 2.680 20 30 CFEDHN CCN(Cc1ccccc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424096504 330227428 /nfs/dbraw/zinc/22/74/28/330227428.db2.gz YCOLSKWLKDZSBP-CQSZACIVSA-N 0 3 293.798 2.710 20 30 CFEDHN Cc1cc([C@@H](C)NC(=O)[C@@H](N)CCCC#N)c(C)s1 ZINC000424097309 330227750 /nfs/dbraw/zinc/22/77/50/330227750.db2.gz JNNCHEASFNSYKS-MFKMUULPSA-N 0 3 279.409 2.563 20 30 CFEDHN CCc1ccc(CN(C(=O)[C@@H](N)CCCC#N)C2CC2)cc1 ZINC000424099455 330231575 /nfs/dbraw/zinc/23/15/75/330231575.db2.gz MDYVULCPVRJFNC-KRWDZBQOSA-N 0 3 299.418 2.761 20 30 CFEDHN CCC[C@H](NC(=O)[C@@H](N)CCCC#N)C1CCCCC1 ZINC000424115757 330243409 /nfs/dbraw/zinc/24/34/09/330243409.db2.gz VUCUHNQPOMLBPG-GJZGRUSLSA-N 0 3 279.428 2.873 20 30 CFEDHN CC(C)C[C@H]1CCCCCN1C(=O)[C@@H](N)CCCC#N ZINC000424120103 330247870 /nfs/dbraw/zinc/24/78/70/330247870.db2.gz GQUIGZRRGAFUMI-CABCVRRESA-N 0 3 279.428 2.825 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)[C@H](N)CCCC#N ZINC000424122569 330254431 /nfs/dbraw/zinc/25/44/31/330254431.db2.gz HCKZWRPBNDXAMS-OAHLLOKOSA-N 0 3 277.412 2.602 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCCCc2ccccc21 ZINC000424122661 330254802 /nfs/dbraw/zinc/25/48/02/330254802.db2.gz JBJUTSRLWARLOX-OAHLLOKOSA-N 0 3 285.391 2.767 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424122884 330255038 /nfs/dbraw/zinc/25/50/38/330255038.db2.gz JXMMMTPQMOSEAT-BFYDXBDKSA-N 0 3 299.418 2.721 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H](N)CCCC#N)C1 ZINC000424122892 330255057 /nfs/dbraw/zinc/25/50/57/330255057.db2.gz JXMMMTPQMOSEAT-ZMSDIMECSA-N 0 3 299.418 2.721 20 30 CFEDHN CC(C)n1cc2cc(NC(=O)[C@H](N)CCCC#N)ccc2n1 ZINC000424122921 330255086 /nfs/dbraw/zinc/25/50/86/330255086.db2.gz JZPBPYCFEQQFKK-CQSZACIVSA-N 0 3 299.378 2.577 20 30 CFEDHN Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H](N)CCCC#N)c1 ZINC000424125133 330258211 /nfs/dbraw/zinc/25/82/11/330258211.db2.gz NGRTYTRDVZLNTQ-GOEBONIOSA-N 0 3 287.407 2.844 20 30 CFEDHN C[C@H](CCC1CCCCC1)NC(=O)[C@@H](N)CCCC#N ZINC000424125541 330258781 /nfs/dbraw/zinc/25/87/81/330258781.db2.gz OBLHQNQYABZFRY-HIFRSBDPSA-N 0 3 279.428 2.873 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)c2cccnc12 ZINC000424128999 330259859 /nfs/dbraw/zinc/25/98/59/330259859.db2.gz FUSRGIVTZIPBRX-ZDUSSCGKSA-N 0 3 282.347 2.503 20 30 CFEDHN C[C@]1(CN[C@H]2CCC[C@@H](C#N)C2)COc2ccccc2O1 ZINC000527934082 330297760 /nfs/dbraw/zinc/29/77/60/330297760.db2.gz OBNSICGTTMUOSL-KEYYUXOJSA-N 0 3 286.375 2.888 20 30 CFEDHN C=CCC[C@@H](CC)N[C@@H]1Cc2ccccc2NC1=O ZINC000527999337 330299737 /nfs/dbraw/zinc/29/97/37/330299737.db2.gz KTQAMHIKKWNBAQ-UKRRQHHQSA-N 0 3 258.365 2.884 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CC[C@H](Cc3ccccc3)C2)nn1 ZINC000424167842 330309945 /nfs/dbraw/zinc/30/99/45/330309945.db2.gz DMQHGNZFYDKZDL-IAGOWNOFSA-N 0 3 296.418 2.965 20 30 CFEDHN C=CCn1cc(CN[C@H]2CC[C@H](Cc3ccccc3)C2)nn1 ZINC000424167846 330309949 /nfs/dbraw/zinc/30/99/49/330309949.db2.gz DMQHGNZFYDKZDL-SJORKVTESA-N 0 3 296.418 2.965 20 30 CFEDHN C[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)c2ccccc21 ZINC000424171581 330311745 /nfs/dbraw/zinc/31/17/45/330311745.db2.gz MGAYZLQNZCADQH-UKRRQHHQSA-N 0 3 285.391 2.938 20 30 CFEDHN CC(C)(C)Cc1csc(NC(=O)[C@@H](N)CCCC#N)n1 ZINC000424169647 330312071 /nfs/dbraw/zinc/31/20/71/330312071.db2.gz JVNCEHWFGUENJU-NSHDSACASA-N 0 3 294.424 2.691 20 30 CFEDHN CC1(C)CN(C(=O)[C@H](N)CCCC#N)C[C@H]1c1ccccc1 ZINC000424173059 330313583 /nfs/dbraw/zinc/31/35/83/330313583.db2.gz MPVSPNJBHRHUIL-JKSUJKDBSA-N 0 3 299.418 2.660 20 30 CFEDHN C=CCn1cc(CNCC2(C)CCCCCC2)nn1 ZINC000424175282 330315335 /nfs/dbraw/zinc/31/53/35/330315335.db2.gz UFTQMYHGYXCEIW-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc(Br)cn1 ZINC000424176660 330316882 /nfs/dbraw/zinc/31/68/82/330316882.db2.gz RUCSPRUSAUAECL-GWCFXTLKSA-N 0 3 297.196 2.525 20 30 CFEDHN COc1cc(C)c(NC(=O)[C@@H](N)CCCC#N)c(C)c1C ZINC000424183699 330320103 /nfs/dbraw/zinc/32/01/03/330320103.db2.gz WHUWVUCDGCHNFQ-ZDUSSCGKSA-N 0 3 289.379 2.580 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000424187838 330321153 /nfs/dbraw/zinc/32/11/53/330321153.db2.gz IRJRDAYARNSSIZ-JKSUJKDBSA-N 0 3 285.391 2.761 20 30 CFEDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424189815 330322752 /nfs/dbraw/zinc/32/27/52/330322752.db2.gz DZXVYBAVTVNPPS-WCQYABFASA-N 0 3 259.309 2.685 20 30 CFEDHN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H](N)CCCC#N ZINC000424192569 330323792 /nfs/dbraw/zinc/32/37/92/330323792.db2.gz PHYOYWIDKDURKR-CYBMUJFWSA-N 0 3 289.379 2.784 20 30 CFEDHN Cc1ccccc1-n1nccc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424194591 330324377 /nfs/dbraw/zinc/32/43/77/330324377.db2.gz BNXQXXWJAFAEPP-LSDHHAIUSA-N 0 3 280.375 2.963 20 30 CFEDHN Cc1ccc(CN[C@@H]2CC[C@H](C#N)C2)cc1[N+](=O)[O-] ZINC000424194935 330324452 /nfs/dbraw/zinc/32/44/52/330324452.db2.gz MGGWZWWXZXKYIG-WCQYABFASA-N 0 3 259.309 2.685 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000424196612 330325340 /nfs/dbraw/zinc/32/53/40/330325340.db2.gz NILPNMOBWORALZ-QDFGCFFBSA-N 0 3 271.320 2.890 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccnn2-c2ccc(F)cc2)C1 ZINC000424203210 330327106 /nfs/dbraw/zinc/32/71/06/330327106.db2.gz REVDEDVDHKOHKR-GXTWGEPZSA-N 0 3 284.338 2.793 20 30 CFEDHN C=CCn1cc(CN[C@@H](C)[C@H](C)CCCC)nn1 ZINC000424290320 330334393 /nfs/dbraw/zinc/33/43/93/330334393.db2.gz BKZBWAKHUARTTH-OLZOCXBDSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CNC(C2CCC2)C2CCC2)nn1 ZINC000424289838 330334420 /nfs/dbraw/zinc/33/44/20/330334420.db2.gz AKWFJKWGENVBRV-UHFFFAOYSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H]2c2ccccc2)nn1 ZINC000424293787 330335444 /nfs/dbraw/zinc/33/54/44/330335444.db2.gz JHLDJWHXHFTKGW-IRXDYDNUSA-N 0 3 282.391 2.890 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1csc(C)n1 ZINC000424295591 330335995 /nfs/dbraw/zinc/33/59/95/330335995.db2.gz NCPJHCMADVASHL-GAFUQQFSSA-N 0 3 252.383 2.693 20 30 CFEDHN C=CCN(C(=O)Nc1cc(C)cc(CN)c1)C1CC1 ZINC000424422529 330351649 /nfs/dbraw/zinc/35/16/49/330351649.db2.gz DRAVNNOSLAMPOC-UHFFFAOYSA-N 0 3 259.353 2.636 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1sc(CCOC)nc1C ZINC000090451484 330392656 /nfs/dbraw/zinc/39/26/56/330392656.db2.gz MRQDVQXVDHHYFZ-GFCCVEGCSA-N 0 3 298.452 2.884 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(C)cc1OC ZINC000537092042 330398344 /nfs/dbraw/zinc/39/83/44/330398344.db2.gz FRSKNMDZMMMIHH-UONOGXRCSA-N 0 3 263.381 2.839 20 30 CFEDHN CC#CCN1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084680957 330487702 /nfs/dbraw/zinc/48/77/02/330487702.db2.gz XNGFAAXBXLKKMH-UHFFFAOYSA-N 0 3 262.441 2.842 20 30 CFEDHN C=CCc1ccccc1OC[C@@H](O)CNCc1ccccc1 ZINC000005002628 330488079 /nfs/dbraw/zinc/48/80/79/330488079.db2.gz ZVHXYTOYXFTGMH-SFHVURJKSA-N 0 3 297.398 2.945 20 30 CFEDHN COc1ccccc1/C=C\CNCC1(CC#N)CC1 ZINC000430016810 330557437 /nfs/dbraw/zinc/55/74/37/330557437.db2.gz BCFPZQBNPQYPFJ-XQRVVYSFSA-N 0 3 256.349 2.992 20 30 CFEDHN COC[C@H](Cc1ccccc1)NCC1(CC#N)CC1 ZINC000430748637 330572831 /nfs/dbraw/zinc/57/28/31/330572831.db2.gz FQZAFCWRVWCUDZ-HNNXBMFYSA-N 0 3 258.365 2.528 20 30 CFEDHN COCc1cc(CN[C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000442764175 330781464 /nfs/dbraw/zinc/78/14/64/330781464.db2.gz CFQZHKBELHYDSI-SMDDNHRTSA-N 0 3 262.328 2.754 20 30 CFEDHN COCCNc1ccc(CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442790630 330783838 /nfs/dbraw/zinc/78/38/38/330783838.db2.gz LXWKPMTVKNQNTN-HOCLYGCPSA-N 0 3 273.380 2.527 20 30 CFEDHN CCN1CCN(c2cccc(N[C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442841733 330786368 /nfs/dbraw/zinc/78/63/68/330786368.db2.gz ORQCGMINMUWCQW-NVXWUHKLSA-N 0 3 298.434 2.933 20 30 CFEDHN C=CCOc1ccccc1CNCC1(CO)CCCC1 ZINC000160099894 330858741 /nfs/dbraw/zinc/85/87/41/330858741.db2.gz DLOQXEFNLQUVTD-UHFFFAOYSA-N 0 3 275.392 2.894 20 30 CFEDHN N#CCCCNCc1cc(F)cc(Br)c1 ZINC000449233282 330907974 /nfs/dbraw/zinc/90/79/74/330907974.db2.gz KUOPZFRTFDKJRR-UHFFFAOYSA-N 0 3 271.133 2.982 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c(OCC)c1 ZINC000449520433 330933556 /nfs/dbraw/zinc/93/35/56/330933556.db2.gz PMXMEPQYMYRBHT-KGLIPLIRSA-N 0 3 277.364 2.527 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Cl)ccc1F ZINC000449521593 330933708 /nfs/dbraw/zinc/93/37/08/330933708.db2.gz SLQKVCDQUXEZAC-OLZOCXBDSA-N 0 3 255.720 2.912 20 30 CFEDHN CC(C)(C)OC1CCN(CCCSCC#N)CC1 ZINC000162654142 330947812 /nfs/dbraw/zinc/94/78/12/330947812.db2.gz HSESACVBRGEKLJ-UHFFFAOYSA-N 0 3 270.442 2.913 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)CC(=O)NC)cc1Cl ZINC000449600825 330938933 /nfs/dbraw/zinc/93/89/33/330938933.db2.gz LATIMPIBNGWSFL-LLVKDONJSA-N 0 3 296.798 2.519 20 30 CFEDHN C=CCC[C@@H](CO)NCc1nc2ccc(OC)cc2s1 ZINC000449697976 330944464 /nfs/dbraw/zinc/94/44/64/330944464.db2.gz MNLLZUMFSIGNMX-NSHDSACASA-N 0 3 292.404 2.722 20 30 CFEDHN N#CC1(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCC1 ZINC000450868269 331003899 /nfs/dbraw/zinc/00/38/99/331003899.db2.gz VXHIAUKNFPVEDY-MCIONIFRSA-N 0 3 260.381 2.618 20 30 CFEDHN C=CCOCCN1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451411950 331028165 /nfs/dbraw/zinc/02/81/65/331028165.db2.gz VYMSSMFOWFKBSL-WDEREUQCSA-N 0 3 251.292 2.852 20 30 CFEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(F)cc3)CC[C@H]2C1 ZINC000451701490 331039518 /nfs/dbraw/zinc/03/95/18/331039518.db2.gz QNOMXSQOHVOXMA-XYJFISCASA-N 0 3 287.378 2.660 20 30 CFEDHN O[C@@H]1CC[C@H]2CN(CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000451701488 331039539 /nfs/dbraw/zinc/03/95/39/331039539.db2.gz QNOMXSQOHVOXMA-SOLBZPMBSA-N 0 3 287.378 2.660 20 30 CFEDHN C=C(C)CCN(CCO)Cc1cccc(OCC)c1 ZINC000452050412 331052175 /nfs/dbraw/zinc/05/21/75/331052175.db2.gz VFTKXLXXOHTJIX-UHFFFAOYSA-N 0 3 263.381 2.846 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN(C(C)C)C1CC(C)(C)C1 ZINC000452106290 331054441 /nfs/dbraw/zinc/05/44/41/331054441.db2.gz PSMHOCADDUKCOQ-AWEZNQCLSA-N 0 3 293.455 2.894 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452178312 331057194 /nfs/dbraw/zinc/05/71/94/331057194.db2.gz YYLSGVCQLOALLQ-CZUORRHYSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccncn1)C(C)C ZINC000453069660 331086357 /nfs/dbraw/zinc/08/63/57/331086357.db2.gz CCMLZENFSZRLRD-DOTOQJQBSA-N 0 3 288.439 2.826 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453203496 331100999 /nfs/dbraw/zinc/10/09/99/331100999.db2.gz UWCZWUVUTYCCHS-ZFWWWQNUSA-N 0 3 285.391 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000453354172 331121158 /nfs/dbraw/zinc/12/11/58/331121158.db2.gz KMVPYTLXAKCAJW-WCQGTBRESA-N 0 3 281.377 2.529 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000453357872 331122037 /nfs/dbraw/zinc/12/20/37/331122037.db2.gz MOJDYDUBGSCGAT-XKQJLSEDSA-N 0 3 283.375 2.866 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)cc1OC ZINC000453371397 331124032 /nfs/dbraw/zinc/12/40/32/331124032.db2.gz UIYFMJIAAHAKHM-GLQYFDAESA-N 0 3 277.364 2.698 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2c(O)cccc21 ZINC000453379877 331125503 /nfs/dbraw/zinc/12/55/03/331125503.db2.gz ZPZRXWXZDJHRKP-LZWOXQAQSA-N 0 3 259.349 2.703 20 30 CFEDHN C=C(C)CCNC(=O)NCCN1CCCC[C@@H]1CC ZINC000454485418 331147218 /nfs/dbraw/zinc/14/72/18/331147218.db2.gz BGTODZZDARLOJK-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC2(C)C)CC1 ZINC000454554883 331148766 /nfs/dbraw/zinc/14/87/66/331148766.db2.gz XNXNMLGUKUVYFT-AWEZNQCLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=C(C)CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000454733640 331152617 /nfs/dbraw/zinc/15/26/17/331152617.db2.gz WPAXDTKZOSLNRA-HOTGVXAUSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCC1(CNC(=O)[C@H](CC)N(C)C)CCCC1 ZINC000456489398 331194074 /nfs/dbraw/zinc/19/40/74/331194074.db2.gz UGTJYFYSBRPDGZ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)CCCCC(C)C)CC1 ZINC000457543089 331226436 /nfs/dbraw/zinc/22/64/36/331226436.db2.gz NWQLWCLHMVTJAV-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000458327453 331248844 /nfs/dbraw/zinc/24/88/44/331248844.db2.gz WNFDPYJLABRVRT-NVXWUHKLSA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458623279 331254542 /nfs/dbraw/zinc/25/45/42/331254542.db2.gz QKBGDGNSMNZQTA-LSDHHAIUSA-N 0 3 281.444 2.855 20 30 CFEDHN C=CC(C)(C)CNC(=O)NCCN1CCCC(C)(C)C1 ZINC000458992279 331264870 /nfs/dbraw/zinc/26/48/70/331264870.db2.gz VNEUJFKDIRBQCA-UHFFFAOYSA-N 0 3 281.444 2.620 20 30 CFEDHN C=CCC1(CNC(=O)NC(C)(C)CN(C)C)CCCC1 ZINC000459095437 331270158 /nfs/dbraw/zinc/27/01/58/331270158.db2.gz IIGUPVKUZIQLIM-UHFFFAOYSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(C)CCN1CCc2c(cccc2C(=O)OC)C1 ZINC000459545492 331286989 /nfs/dbraw/zinc/28/69/89/331286989.db2.gz LWWBEIRJTHLCID-UHFFFAOYSA-N 0 3 259.349 2.798 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459679878 331293937 /nfs/dbraw/zinc/29/39/37/331293937.db2.gz QATUGGUJOGBQBE-WDEREUQCSA-N 0 3 250.390 2.793 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)NCc1nnc(C(C)(C)C)[nH]1 ZINC000459679878 331293938 /nfs/dbraw/zinc/29/39/38/331293938.db2.gz QATUGGUJOGBQBE-WDEREUQCSA-N 0 3 250.390 2.793 20 30 CFEDHN CC(C)(CC#N)CNCc1ccc(-n2cccn2)cc1 ZINC000459692575 331294713 /nfs/dbraw/zinc/29/47/13/331294713.db2.gz MCZMWRIWEBLBBZ-UHFFFAOYSA-N 0 3 268.364 2.902 20 30 CFEDHN CC(C)(CC#N)CNCc1ccc(N2CCCC2)nc1 ZINC000459732684 331296762 /nfs/dbraw/zinc/29/67/62/331296762.db2.gz OYGYALVZYXWCBD-UHFFFAOYSA-N 0 3 272.396 2.711 20 30 CFEDHN CO[C@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC000459756825 331298814 /nfs/dbraw/zinc/29/88/14/331298814.db2.gz KJMDEABIXHNDKK-HOTGVXAUSA-N 0 3 255.361 2.585 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000466050197 331388965 /nfs/dbraw/zinc/38/89/65/331388965.db2.gz NEQHFLBQEOZSHW-HUUCEWRRSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000488500047 332013908 /nfs/dbraw/zinc/01/39/08/332013908.db2.gz OSNIRHNWABLGKR-HUUCEWRRSA-N 0 3 289.423 2.667 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](F)C1 ZINC000488877778 332031362 /nfs/dbraw/zinc/03/13/62/332031362.db2.gz IZCRLAJJLQBYOO-ZNMIVQPWSA-N 0 3 274.339 2.766 20 30 CFEDHN C=CCn1cccc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000489999633 332076054 /nfs/dbraw/zinc/07/60/54/332076054.db2.gz NNLUNYHAELHXLK-UHFFFAOYSA-N 0 3 297.402 2.883 20 30 CFEDHN C#CCN(Cc1ccc2c(c1)ncn2C)C1CCCC1 ZINC000490917687 332129117 /nfs/dbraw/zinc/12/91/17/332129117.db2.gz ZAGCEJCFJLNQEH-UHFFFAOYSA-N 0 3 267.376 2.951 20 30 CFEDHN C#CCNC(=O)C1CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000491120889 332152277 /nfs/dbraw/zinc/15/22/77/332152277.db2.gz OJMFSKBCZXHKIE-PEZBUJJGSA-N 0 3 296.414 2.551 20 30 CFEDHN C#C[C@@H](CC)NCc1ccccc1-c1ccnn1C ZINC000491179551 332161175 /nfs/dbraw/zinc/16/11/75/332161175.db2.gz GISFUBWVRDSPQG-AWEZNQCLSA-N 0 3 253.349 2.589 20 30 CFEDHN C#CCN(CCc1ccncc1)Cc1ccccc1 ZINC000491180021 332161227 /nfs/dbraw/zinc/16/12/27/332161227.db2.gz JBZZRPXXNZSVLG-UHFFFAOYSA-N 0 3 250.345 2.760 20 30 CFEDHN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000491427732 332209703 /nfs/dbraw/zinc/20/97/03/332209703.db2.gz LXSLQGDYZVJCIP-LLVKDONJSA-N 0 3 294.782 2.631 20 30 CFEDHN C#C[C@H](NC[C@@H](O)c1cccc(Cl)c1)C(C)C ZINC000491483293 332219237 /nfs/dbraw/zinc/21/92/37/332219237.db2.gz AVNOULGCPKCPNV-UONOGXRCSA-N 0 3 251.757 2.621 20 30 CFEDHN C#C[C@H](CC)NCc1cc(CC=C)c(O)c(OC)c1 ZINC000491495975 332222838 /nfs/dbraw/zinc/22/28/38/332222838.db2.gz MTBOLFODXOUJKM-CQSZACIVSA-N 0 3 259.349 2.631 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCO[C@H](CC)C2)n1 ZINC000491631807 332254168 /nfs/dbraw/zinc/25/41/68/332254168.db2.gz RROHWHHGBVWLOA-NVXWUHKLSA-N 0 3 289.423 2.543 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000491635023 332256303 /nfs/dbraw/zinc/25/63/03/332256303.db2.gz KDZGFOTXXKIOEV-RHSMWYFYSA-N 0 3 273.376 2.698 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@@H]2CCC(F)(F)C2)n1 ZINC000491654994 332267061 /nfs/dbraw/zinc/26/70/61/332267061.db2.gz FXFSTZSGTZCRRA-CYBMUJFWSA-N 0 3 281.350 2.774 20 30 CFEDHN C#CCN(CCc1cncn1C)[C@@H]1CCc2ccccc21 ZINC000491784135 332347644 /nfs/dbraw/zinc/34/76/44/332347644.db2.gz QIJRBNIIIMQZPY-GOSISDBHSA-N 0 3 279.387 2.585 20 30 CFEDHN C#C[C@H](NCc1ccc(OCOCC)cc1)C(C)C ZINC000491801577 332355807 /nfs/dbraw/zinc/35/58/07/332355807.db2.gz DAIPZYZCDQWPES-INIZCTEOSA-N 0 3 261.365 2.807 20 30 CFEDHN CN(C)C/C=C/C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000492855517 332416166 /nfs/dbraw/zinc/41/61/66/332416166.db2.gz TZZTVNAGPHRECN-OQRGYWNNSA-N 0 3 285.391 2.656 20 30 CFEDHN C[C@]1(CO)CCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000493637332 332448011 /nfs/dbraw/zinc/44/80/11/332448011.db2.gz WZLBHTMPIPZYPH-JKSUJKDBSA-N 0 3 277.795 2.832 20 30 CFEDHN C=C(CC)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494276971 332469279 /nfs/dbraw/zinc/46/92/79/332469279.db2.gz NAQXQQAJYMJIMR-GOEBONIOSA-N 0 3 294.345 2.792 20 30 CFEDHN CC[C@@H](CC#N)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496517210 332551940 /nfs/dbraw/zinc/55/19/40/332551940.db2.gz YFTRHFFRKQTFFP-KGLIPLIRSA-N 0 3 295.427 2.915 20 30 CFEDHN CC[C@@H](CC#N)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496517209 332552001 /nfs/dbraw/zinc/55/20/01/332552001.db2.gz YFTRHFFRKQTFFP-KBPBESRZSA-N 0 3 295.427 2.915 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000177742230 333062549 /nfs/dbraw/zinc/06/25/49/333062549.db2.gz GGRFYLDDPSOJNA-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCC(NC(=O)c2oc(CC)cc2C)CC1 ZINC000177874942 333065074 /nfs/dbraw/zinc/06/50/74/333065074.db2.gz GAJPZZZETHMSIC-UHFFFAOYSA-N 0 3 276.380 2.531 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000152553764 333125556 /nfs/dbraw/zinc/12/55/56/333125556.db2.gz DHRQOGDPGSSIPX-HNNXBMFYSA-N 0 3 281.444 2.714 20 30 CFEDHN CC#CCCCC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000185521281 333142771 /nfs/dbraw/zinc/14/27/71/333142771.db2.gz SNIZAGCSUSWONA-MRXNPFEDSA-N 0 3 286.419 2.817 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000185656637 333146183 /nfs/dbraw/zinc/14/61/83/333146183.db2.gz LLIQFCSYUYFLGO-MELADBBJSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186262708 333157651 /nfs/dbraw/zinc/15/76/51/333157651.db2.gz HEUOOXVURMNNMH-OAHLLOKOSA-N 0 3 272.392 2.573 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1OC ZINC000189328802 333190248 /nfs/dbraw/zinc/19/02/48/333190248.db2.gz GNUHCGSRNSPPTB-JKSUJKDBSA-N 0 3 291.391 2.509 20 30 CFEDHN C[C@@H]1CCN(CC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000575880566 335127957 /nfs/dbraw/zinc/12/79/57/335127957.db2.gz WSLAFKQEANYKMN-NVXWUHKLSA-N 0 3 299.418 2.880 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS[C@@H](C)CC1 ZINC000192180118 333231933 /nfs/dbraw/zinc/23/19/33/333231933.db2.gz JIGLMBOOTQSGSF-KBPBESRZSA-N 0 3 284.469 2.627 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000173198070 335129338 /nfs/dbraw/zinc/12/93/38/335129338.db2.gz QZDBMOYYNKIIQD-GDBMZVCRSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000173198055 335129455 /nfs/dbraw/zinc/12/94/55/335129455.db2.gz QZDBMOYYNKIIQD-HOCLYGCPSA-N 0 3 291.439 2.611 20 30 CFEDHN CC1(C#N)CCN(C[C@H]2Cc3ccccc3O2)CC1 ZINC000227350927 333281244 /nfs/dbraw/zinc/28/12/44/333281244.db2.gz YCXXEEXWASCDCP-CQSZACIVSA-N 0 3 256.349 2.616 20 30 CFEDHN CC1(C#N)CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000227353617 333281592 /nfs/dbraw/zinc/28/15/92/333281592.db2.gz VJBSKIRABWHBFO-UHFFFAOYSA-N 0 3 270.376 2.790 20 30 CFEDHN C#C[C@@H](CC)NCc1cnc(C)n1-c1ccccc1 ZINC000229876097 333310437 /nfs/dbraw/zinc/31/04/37/333310437.db2.gz RTGMMZMVWGJLQP-AWEZNQCLSA-N 0 3 253.349 2.682 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000524811713 333389112 /nfs/dbraw/zinc/38/91/12/333389112.db2.gz LSALHBFZYJQJJQ-ZMSDIMECSA-N 0 3 293.455 2.941 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)C[C@H]1CCC[C@H]1O ZINC000339129564 335141660 /nfs/dbraw/zinc/14/16/60/335141660.db2.gz STKMDRCNVKTFOE-GDBMZVCRSA-N 0 3 277.795 2.784 20 30 CFEDHN C=C(C)COCCNCc1cc(F)c(F)c(F)c1 ZINC000125778005 333572973 /nfs/dbraw/zinc/57/29/73/333572973.db2.gz HEHGIDREMZPGKF-UHFFFAOYSA-N 0 3 259.271 2.786 20 30 CFEDHN N#CCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000542850063 333845284 /nfs/dbraw/zinc/84/52/84/333845284.db2.gz MIBQNWWDILXQAQ-UHFFFAOYSA-N 0 3 281.363 2.597 20 30 CFEDHN C=C(C)CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005886 334022904 /nfs/dbraw/zinc/02/29/04/334022904.db2.gz VAZLAMDCCHURAG-LBPRGKRZSA-N 0 3 254.374 2.504 20 30 CFEDHN C=CCN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134017667 334077590 /nfs/dbraw/zinc/07/75/90/334077590.db2.gz BXXIFWKKTIWSMJ-CHWSQXEVSA-N 0 3 268.401 2.798 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134619956 334097804 /nfs/dbraw/zinc/09/78/04/334097804.db2.gz DEAQCVGXBKTDOO-NEPJUHHUSA-N 0 3 254.374 2.550 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134621034 334097907 /nfs/dbraw/zinc/09/79/07/334097907.db2.gz LVVWQUVSCCGVMZ-QWHCGFSZSA-N 0 3 268.401 2.940 20 30 CFEDHN CC#CCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000079503335 334156020 /nfs/dbraw/zinc/15/60/20/334156020.db2.gz WQGIDKPANNMDRS-KRWDZBQOSA-N 0 3 257.377 2.733 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H](CN1CCCC1)c1ccccc1 ZINC000548781964 334173829 /nfs/dbraw/zinc/17/38/29/334173829.db2.gz NOJXKMRNQSWYOA-AEFFLSMTSA-N 0 3 296.418 2.857 20 30 CFEDHN Cc1noc(C)c1CO[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000549938878 334209944 /nfs/dbraw/zinc/20/99/44/334209944.db2.gz OZJVBHZGHXWCRQ-RBSFLKMASA-N 0 3 289.379 2.575 20 30 CFEDHN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1 ZINC000246017961 334227982 /nfs/dbraw/zinc/22/79/82/334227982.db2.gz UPUQHZOHCYNSEA-QWQRMKEZSA-N 0 3 299.418 2.577 20 30 CFEDHN C[C@H](C#N)CN[C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246212840 334241210 /nfs/dbraw/zinc/24/12/10/334241210.db2.gz NXUYMHBGWHHHTR-HZSPNIEDSA-N 0 3 295.427 2.914 20 30 CFEDHN N#Cc1cccc(C2(N[C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000551818101 334263463 /nfs/dbraw/zinc/26/34/63/334263463.db2.gz SZDLAMTZXJXFCV-HIFRSBDPSA-N 0 3 251.333 2.829 20 30 CFEDHN CC1(CNC[C@H](C#N)CCC#N)Cc2ccccc2C1 ZINC000552116551 334291097 /nfs/dbraw/zinc/29/10/97/334291097.db2.gz AMAOJOCKZQRXLW-AWEZNQCLSA-N 0 3 267.376 2.825 20 30 CFEDHN O[C@@H](CCc1ccccc1)CNCC#Cc1ccccc1 ZINC000567680373 334751501 /nfs/dbraw/zinc/75/15/01/334751501.db2.gz WWIGVZKPWDVZLH-IBGZPJMESA-N 0 3 279.383 2.621 20 30 CFEDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343687678 335216687 /nfs/dbraw/zinc/21/66/87/335216687.db2.gz OFRUFORIYROGNL-OFQRWUPVSA-N 0 3 281.444 2.797 20 30 CFEDHN N#CCc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000343698772 335217144 /nfs/dbraw/zinc/21/71/44/335217144.db2.gz ULDFDZROSWNCBH-KRWDZBQOSA-N 0 3 266.344 2.576 20 30 CFEDHN C=CCCCCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000577623503 335380696 /nfs/dbraw/zinc/38/06/96/335380696.db2.gz RBTQLMOYRYEGQQ-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCc2ccccc2CN2CCCC2=O)C1 ZINC000577818894 335405337 /nfs/dbraw/zinc/40/53/37/335405337.db2.gz WBRLTCIHXAJFRZ-RHSMWYFYSA-N 0 3 297.402 2.591 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000180892090 335628247 /nfs/dbraw/zinc/62/82/47/335628247.db2.gz XAJVZQZZFWEVDK-GJZGRUSLSA-N 0 3 281.444 2.905 20 30 CFEDHN COc1ccc2[nH]c3c(c2c1)C[C@H](NCC1(C#N)CC1)CC3 ZINC000578479932 335639174 /nfs/dbraw/zinc/63/91/74/335639174.db2.gz QMLSRYXANIFODP-GFCCVEGCSA-N 0 3 295.386 2.927 20 30 CFEDHN C[C@H](CCc1ccc(O)cc1)NC[C@@H](C#N)CCC#N ZINC000579343638 335736041 /nfs/dbraw/zinc/73/60/41/335736041.db2.gz GGFOURMQCFVXQJ-UKRRQHHQSA-N 0 3 271.364 2.746 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(CC)cc1 ZINC000581113407 336010339 /nfs/dbraw/zinc/01/03/39/336010339.db2.gz VAIGOVPAQOJHNW-CVEARBPZSA-N 0 3 288.391 2.511 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000382017798 336080234 /nfs/dbraw/zinc/08/02/34/336080234.db2.gz WUUAQTWQFATEQL-CMPLNLGQSA-N 0 3 288.819 2.974 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1cccc2c1CCNC2 ZINC000581536885 336096381 /nfs/dbraw/zinc/09/63/81/336096381.db2.gz LGZIZRLUIVTYNY-UHFFFAOYSA-N 0 3 273.380 2.762 20 30 CFEDHN C=CCCCCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000581677253 336127302 /nfs/dbraw/zinc/12/73/02/336127302.db2.gz VBBGZXBHYCDUFF-HNNXBMFYSA-N 0 3 278.371 2.731 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC2(CCCC2)CC1 ZINC000581851839 336151808 /nfs/dbraw/zinc/15/18/08/336151808.db2.gz GKNQLOLSRVRVIZ-UHFFFAOYSA-N 0 3 276.424 2.843 20 30 CFEDHN C=C(C)CCNCc1c(OC)cc(OC)cc1OC ZINC000386907047 336181866 /nfs/dbraw/zinc/18/18/66/336181866.db2.gz PMZISGMBEHVYPT-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633096 782122490 /nfs/dbraw/zinc/12/24/90/782122490.db2.gz LWPBYXFYZMKKKO-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641439 782123201 /nfs/dbraw/zinc/12/32/01/782123201.db2.gz MPQIEBFILPBGSQ-CYBMUJFWSA-N 0 3 294.345 2.687 20 30 CFEDHN CC(C)N1CCC[C@@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000935026253 649866430 /nfs/dbraw/zinc/86/64/30/649866430.db2.gz DMAGGKVGAPDJBO-MRXNPFEDSA-N 0 3 297.402 2.536 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085676990 782132274 /nfs/dbraw/zinc/13/22/74/782132274.db2.gz BYPRLKXIHOYMKM-CQSZACIVSA-N 0 3 290.407 2.955 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718772 782142927 /nfs/dbraw/zinc/14/29/27/782142927.db2.gz ADROJGVKDWEESK-RRFJBIMHSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)C[C@H](C)CC ZINC000343690469 500575946 /nfs/dbraw/zinc/57/59/46/500575946.db2.gz RJOKGZJKSJYDON-CABCVRRESA-N 0 3 266.429 2.944 20 30 CFEDHN Cc1cc(Cl)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354470531 533779436 /nfs/dbraw/zinc/77/94/36/533779436.db2.gz SIGPMAWRINYXBN-LBPRGKRZSA-N 0 3 271.707 2.929 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001085775412 782157723 /nfs/dbraw/zinc/15/77/23/782157723.db2.gz VNLQZRMZCNWLAA-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN Cc1cc(N[C@@H]2CCN(C)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413162553 534002506 /nfs/dbraw/zinc/00/25/06/534002506.db2.gz OQRWYWUXZNLFCI-WCQYABFASA-N 0 3 288.351 2.670 20 30 CFEDHN CC(C#N)C(=O)N(C)CCc1ccc(Cl)cc1 ZINC000352680217 534281443 /nfs/dbraw/zinc/28/14/43/534281443.db2.gz VTGZRWVVKDUFIA-SNVBAGLBSA-N 0 3 250.729 2.501 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000347099571 534283575 /nfs/dbraw/zinc/28/35/75/534283575.db2.gz DUYHJMRMMRGOFO-ZJUUUORDSA-N 0 3 284.281 2.912 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000068918432 518267895 /nfs/dbraw/zinc/26/78/95/518267895.db2.gz YDAHYAXMDPJLDI-UHFFFAOYSA-N 0 3 284.403 2.896 20 30 CFEDHN CC(C)N(CCc1nccs1)Cc1cc(C#N)n(C)c1 ZINC000191417707 519651179 /nfs/dbraw/zinc/65/11/79/519651179.db2.gz LFMJOWBGPXCRFW-UHFFFAOYSA-N 0 3 288.420 2.806 20 30 CFEDHN CC(C)N1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000068772325 519683586 /nfs/dbraw/zinc/68/35/86/519683586.db2.gz LHPIVEDXBYKAKK-UHFFFAOYSA-N 0 3 280.375 2.637 20 30 CFEDHN CC(C)[C@@H](CCO)NCc1ccc(C#N)cc1Cl ZINC000221121918 519792969 /nfs/dbraw/zinc/79/29/69/519792969.db2.gz VKJRFLKKZZKBMI-CQSZACIVSA-N 0 3 266.772 2.708 20 30 CFEDHN CC(C)[C@@H](O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000305830007 519800656 /nfs/dbraw/zinc/80/06/56/519800656.db2.gz SZQTVSJCUOWLNP-NHYWBVRUSA-N 0 3 264.344 2.755 20 30 CFEDHN CC(C)[C@H](O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000305794328 519823087 /nfs/dbraw/zinc/82/30/87/519823087.db2.gz DQDVSUWXIRQQQS-IAQYHMDHSA-N 0 3 264.344 2.755 20 30 CFEDHN CCC[C@@H](C)C(=O)NCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000340421661 520610707 /nfs/dbraw/zinc/61/07/07/520610707.db2.gz ZWLLXOLFXVRZDK-DYVFJYSZSA-N 0 3 299.418 2.688 20 30 CFEDHN CCCCO[C@@H]1C[C@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191283272 520831005 /nfs/dbraw/zinc/83/10/05/520831005.db2.gz LDVCMNSTLQRQQS-JKSUJKDBSA-N 0 3 289.423 2.970 20 30 CFEDHN CCCCO[C@H]1C[C@@H](NCc2cc(C#N)n(C)c2)C1(C)C ZINC000191283320 520844794 /nfs/dbraw/zinc/84/47/94/520844794.db2.gz LDVCMNSTLQRQQS-CVEARBPZSA-N 0 3 289.423 2.970 20 30 CFEDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000069238167 520967824 /nfs/dbraw/zinc/96/78/24/520967824.db2.gz IZCVXMDQLGFOOY-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN CCC[C@H](C)C(=O)NCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000340421662 521003560 /nfs/dbraw/zinc/00/35/60/521003560.db2.gz ZWLLXOLFXVRZDK-GUYCJALGSA-N 0 3 299.418 2.688 20 30 CFEDHN CCN(Cc1ccc(C#N)c(F)c1)C[C@H](C)OC ZINC000361573225 521299692 /nfs/dbraw/zinc/29/96/92/521299692.db2.gz JWTWCQACCLPZJW-NSHDSACASA-N 0 3 250.317 2.554 20 30 CFEDHN CCN1CC[C@@H](N(C)C(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000336355215 521712529 /nfs/dbraw/zinc/71/25/29/521712529.db2.gz RSBAJAMNWYQXBN-VXGBXAGGSA-N 0 3 291.420 2.565 20 30 CFEDHN CN(C)CCOc1cccc(NCc2ccc(C#N)o2)c1 ZINC000157512158 521801462 /nfs/dbraw/zinc/80/14/62/521801462.db2.gz PELSDIJDEUNWFG-UHFFFAOYSA-N 0 3 285.347 2.704 20 30 CFEDHN CC[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(C#N)cc1 ZINC000369328209 522709359 /nfs/dbraw/zinc/70/93/59/522709359.db2.gz 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HDDBYSQZWTZTGU-ZDUSSCGKSA-N 0 3 287.382 2.613 20 30 CFEDHN C[C@H]1C[C@H](NCc2ccc(C#N)cc2F)CS1 ZINC000334853014 524925174 /nfs/dbraw/zinc/92/51/74/524925174.db2.gz ILCAZNDIBJQZAK-CABZTGNLSA-N 0 3 250.342 2.681 20 30 CFEDHN Cc1csc(N2CCC(N[C@H]3CCC[C@H]3C#N)CC2)n1 ZINC000350389977 534825938 /nfs/dbraw/zinc/82/59/38/534825938.db2.gz JKFCGGAHDOUUBZ-JSGCOSHPSA-N 0 3 290.436 2.702 20 30 CFEDHN C[C@@H]1CSC[C@H]1NCc1ccc(C#N)cc1F ZINC000335202055 525178123 /nfs/dbraw/zinc/17/81/23/525178123.db2.gz PXBCLEMYHLLVFN-NOZJJQNGSA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@@H](NCc1ccc(CO)cc1)c1ccc(C#N)cc1 ZINC000168742410 525520368 /nfs/dbraw/zinc/52/03/68/525520368.db2.gz CHLLNSNJEBGNPY-CYBMUJFWSA-N 0 3 266.344 2.901 20 30 CFEDHN C[C@H](O)C[C@@H](CNCc1ccc(C#N)o1)c1ccccc1 ZINC000305005180 525790033 /nfs/dbraw/zinc/79/00/33/525790033.db2.gz BXBUGFJHRQMUNI-ZFWWWQNUSA-N 0 3 284.359 2.796 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)C2CCN(C3CC3)CC2)c1 ZINC000335118523 526181587 /nfs/dbraw/zinc/18/15/87/526181587.db2.gz 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FYINDCLVKJJNID-BBRMVZONSA-N 0 3 274.339 2.698 20 30 CFEDHN C=C(C)CN(CCc1ccncc1)Cc1ccc(CO)o1 ZINC000352808808 526552548 /nfs/dbraw/zinc/55/25/48/526552548.db2.gz ZNTCQUUJKIAORV-UHFFFAOYSA-N 0 3 286.375 2.788 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CCOCC1 ZINC000352806251 526558720 /nfs/dbraw/zinc/55/87/20/526558720.db2.gz UFZJLQQYRDDXRR-UHFFFAOYSA-N 0 3 279.380 2.577 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000106039480 526576710 /nfs/dbraw/zinc/57/67/10/526576710.db2.gz JIQSAUIIMMTTDA-CMDGGOBGSA-N 0 3 284.403 2.857 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2(CCC)CC2)CC1 ZINC000348787532 526579868 /nfs/dbraw/zinc/57/98/68/526579868.db2.gz RHAYKXCGFYJCEZ-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CC(C)(C)C[C@H]2C)CC1 ZINC000334587685 526584348 /nfs/dbraw/zinc/58/43/48/526584348.db2.gz YNYRMDPRCNNIQU-CQSZACIVSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@H](C)C2)CC1 ZINC000353719963 526591191 /nfs/dbraw/zinc/59/11/91/526591191.db2.gz 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FVZJDWNUFJVPBC-INIZCTEOSA-N 0 3 264.328 2.652 20 30 CFEDHN C=C(C)COCCNCc1ccnn1-c1ccccc1C ZINC000354464855 526654646 /nfs/dbraw/zinc/65/46/46/526654646.db2.gz PQZYVUNPIPHUFL-UHFFFAOYSA-N 0 3 285.391 2.863 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCCC3(CCC3)C2)cc1 ZINC000366339207 526689578 /nfs/dbraw/zinc/68/95/78/526689578.db2.gz BAMUOOBTWSJJNX-MRXNPFEDSA-N 0 3 270.376 2.858 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H](O)C(F)F ZINC000360661686 526691638 /nfs/dbraw/zinc/69/16/38/526691638.db2.gz BCJVUMYPWLSNLY-UONOGXRCSA-N 0 3 280.318 2.541 20 30 CFEDHN N#Cc1cccc(CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000334906241 526704294 /nfs/dbraw/zinc/70/42/94/526704294.db2.gz CWZNELNQNULVEP-QGZVFWFLSA-N 0 3 270.376 2.807 20 30 CFEDHN N#Cc1cccc(CNCCOc2cccc(F)c2)c1 ZINC000069832948 526707924 /nfs/dbraw/zinc/70/79/24/526707924.db2.gz DABJMZYHDQCBQD-UHFFFAOYSA-N 0 3 270.307 2.866 20 30 CFEDHN C=CCOCCCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343736022 526758583 /nfs/dbraw/zinc/75/85/83/526758583.db2.gz HGWQAHSZSQKJSZ-JKSUJKDBSA-N 0 3 279.355 2.526 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](C(=O)OC)[C@H]2C)c1 ZINC000347271986 526900978 /nfs/dbraw/zinc/90/09/78/526900978.db2.gz CLJUIUJIDPSIKL-CZUORRHYSA-N 0 3 289.375 2.635 20 30 CFEDHN C=CCOc1cccc(CN[C@H](CO)C/C=C\C)c1 ZINC000349827301 526905672 /nfs/dbraw/zinc/90/56/72/526905672.db2.gz IPYPGOLXDLOGJU-QTLSWZBMSA-N 0 3 261.365 2.668 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2ccc(CC)cc2)CC1 ZINC000108713334 526932733 /nfs/dbraw/zinc/93/27/33/526932733.db2.gz RVUWARWCAPATMJ-UHFFFAOYSA-N 0 3 270.376 2.533 20 30 CFEDHN C=CCOc1ccccc1CN1CCOC[C@H](C)C1 ZINC000353719282 526933628 /nfs/dbraw/zinc/93/36/28/526933628.db2.gz ZBZQCVPCQSSBMY-CQSZACIVSA-N 0 3 261.365 2.720 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352796148 527077333 /nfs/dbraw/zinc/07/73/33/527077333.db2.gz JZCXOGYDORWGLG-GFCCVEGCSA-N 0 3 298.308 2.851 20 30 CFEDHN C=CC[C@H](CC)N[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000354782556 527164303 /nfs/dbraw/zinc/16/43/03/527164303.db2.gz 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GXTZLGCPMKCICN-JSGCOSHPSA-N 0 3 296.208 2.963 20 30 CFEDHN C=CCC[C@@H](NCCc1ccn(C)n1)c1ccco1 ZINC000353683356 527447778 /nfs/dbraw/zinc/44/77/78/527447778.db2.gz PQZCQXSIXFTNCQ-CQSZACIVSA-N 0 3 259.353 2.853 20 30 CFEDHN CC(C)(C#N)CCN1CCCN(c2cncc(F)c2)CC1 ZINC000367007264 527465467 /nfs/dbraw/zinc/46/54/67/527465467.db2.gz OMPXXBHOKLVXOM-UHFFFAOYSA-N 0 3 290.386 2.673 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000353573364 527593568 /nfs/dbraw/zinc/59/35/68/527593568.db2.gz HKLPZSSKSNDUSL-GXSJLCMTSA-N 0 3 275.270 2.783 20 30 CFEDHN CC(C)(C)C[C@H]1CCCN1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000331702105 527703976 /nfs/dbraw/zinc/70/39/76/527703976.db2.gz WOMBUUBBLOIAEA-RHSMWYFYSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C)[C@H]1OCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000175064278 527909353 /nfs/dbraw/zinc/90/93/53/527909353.db2.gz LOQSDGBILWFVEL-SWLSCSKDSA-N 0 3 262.353 2.692 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@@H](C)c1c(C)cccc1C ZINC000355065100 528361850 /nfs/dbraw/zinc/36/18/50/528361850.db2.gz SDQUXAFDKTVARG-HNNXBMFYSA-N 0 3 287.407 2.716 20 30 CFEDHN CC(C)C[C@H](C)Oc1cc(CNC(=O)C(C)C#N)ccn1 ZINC000347116090 528487191 /nfs/dbraw/zinc/48/71/91/528487191.db2.gz RGAWQZKHMGRHEJ-STQMWFEESA-N 0 3 289.379 2.671 20 30 CFEDHN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)C#N ZINC000347739990 528491036 /nfs/dbraw/zinc/49/10/36/528491036.db2.gz ZMBXVLRGZIEVSB-BXUZGUMPSA-N 0 3 262.328 2.669 20 30 CFEDHN CC1(C)CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192569866 528944850 /nfs/dbraw/zinc/94/48/50/528944850.db2.gz DVTYLOJFXSLAIK-MRXNPFEDSA-N 0 3 297.402 2.928 20 30 CFEDHN CCN1CCC[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000353828540 529105251 /nfs/dbraw/zinc/10/52/51/529105251.db2.gz QWCHOLDSJCLRCJ-IRXDYDNUSA-N 0 3 299.418 2.674 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1occc1CC ZINC001085802338 782167841 /nfs/dbraw/zinc/16/78/41/782167841.db2.gz RBDLFZADMGINBT-HNNXBMFYSA-N 0 3 290.407 2.955 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)NCC2=CCN(C)CC2)c1C ZINC000330140665 529287604 /nfs/dbraw/zinc/28/76/04/529287604.db2.gz JGWYAMOCRZKNTO-LBPRGKRZSA-N 0 3 290.411 2.729 20 30 CFEDHN CC[C@@H](C)N(CC#Cc1ccccc1Cl)CCO ZINC000347451711 529345817 /nfs/dbraw/zinc/34/58/17/529345817.db2.gz HQEIATSFKXLNQM-CYBMUJFWSA-N 0 3 265.784 2.784 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)Cc2cc(C#N)cs2)C1 ZINC000449784921 535223496 /nfs/dbraw/zinc/22/34/96/535223496.db2.gz CUWWWQJSCOORCX-CYBMUJFWSA-N 0 3 263.410 2.534 20 30 CFEDHN CC(C)N1CC[C@H](N(C)Cc2cc(C#N)cs2)C1 ZINC000449784922 535242819 /nfs/dbraw/zinc/24/28/19/535242819.db2.gz CUWWWQJSCOORCX-ZDUSSCGKSA-N 0 3 263.410 2.534 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C#N)cc1F ZINC000449753405 535754487 /nfs/dbraw/zinc/75/44/87/535754487.db2.gz GKZBNBXQUAZLHC-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C12CCC2 ZINC000459796713 536796959 /nfs/dbraw/zinc/79/69/59/536796959.db2.gz WGIFIHAPOBXKGY-CHWSQXEVSA-N 0 3 262.378 2.667 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000449736147 536814624 /nfs/dbraw/zinc/81/46/24/536814624.db2.gz LFFJOWSGIFJZGW-WKPIXPDZSA-N 0 3 276.355 2.846 20 30 CFEDHN COc1cccc2c1C[C@H](NCc1cc(C#N)cs1)C2 ZINC000459713014 536956570 /nfs/dbraw/zinc/95/65/70/536956570.db2.gz WYIIFEFZWRCHQD-CYBMUJFWSA-N 0 3 284.384 2.885 20 30 CFEDHN Cc1ccccc1C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)C1CC1 ZINC000753934613 574056254 /nfs/dbraw/zinc/05/62/54/574056254.db2.gz IRLNENKIHFOHQP-IYBDPMFKSA-N 0 3 296.418 2.969 20 30 CFEDHN C[C@H]1CC(N=Nc2nc3ccccc3n2C)CN1C1CC1 ZINC000753955524 574058858 /nfs/dbraw/zinc/05/88/58/574058858.db2.gz NSLSZRXIBXQQAV-NSHDSACASA-N 0 3 283.379 2.598 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1C[C@H](C)N(C2CC2)C1 ZINC000753959231 574059388 /nfs/dbraw/zinc/05/93/88/574059388.db2.gz GKSIXHAQVDRQGE-NSHDSACASA-N 0 3 288.351 2.928 20 30 CFEDHN C[C@H]1CC(N=Nc2ccnc3ccccc23)CN1C1CC1 ZINC000753960773 574059468 /nfs/dbraw/zinc/05/94/68/574059468.db2.gz VKPPNGGEHROVDR-LBPRGKRZSA-N 0 3 280.375 2.681 20 30 CFEDHN C=CCCCN(C)C[C@H](O)c1cc(OC)ccc1OC ZINC000736624127 574062870 /nfs/dbraw/zinc/06/28/70/574062870.db2.gz XYZMMKDNJNRWQC-HNNXBMFYSA-N 0 3 279.380 2.635 20 30 CFEDHN CCCCCCCC(=O)N1CCC[C@H]1CN(C)C ZINC000727759082 574064064 /nfs/dbraw/zinc/06/40/64/574064064.db2.gz PUVAZLGXCSIGBY-AWEZNQCLSA-N 0 3 254.418 2.900 20 30 CFEDHN CCN(CC)c1ccc(CN(C)C(=O)C(C)C#N)cc1 ZINC000736666307 574064678 /nfs/dbraw/zinc/06/46/78/574064678.db2.gz GXSJWDYBAXXYDB-CYBMUJFWSA-N 0 3 273.380 2.651 20 30 CFEDHN C=CC[C@H](CO)Nc1ccnc2cc(OC)ccc21 ZINC000754110783 574073942 /nfs/dbraw/zinc/07/39/42/574073942.db2.gz ZTPMENYNJVBVHB-LLVKDONJSA-N 0 3 258.321 2.592 20 30 CFEDHN CCc1ccc([C@@H](C)C(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000727955131 574074678 /nfs/dbraw/zinc/07/46/78/574074678.db2.gz YVMZQDMPOVAGRE-DOMZBBRYSA-N 0 3 286.375 2.586 20 30 CFEDHN C#C[C@H](N[C@@H]1CS[C@H](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000754149264 574077987 /nfs/dbraw/zinc/07/79/87/574077987.db2.gz LTCQDAHCUFGBTO-FQUUOJAGSA-N 0 3 267.438 2.677 20 30 CFEDHN C[C@@H]1CC(N=Nc2cc(F)cc(F)c2)CN1C1CC1 ZINC000753960650 574083707 /nfs/dbraw/zinc/08/37/07/574083707.db2.gz TVFFUHNGKCUVIM-SECBINFHSA-N 0 3 265.307 2.989 20 30 CFEDHN CC(C)N1CC(N=Nc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000754258010 574084760 /nfs/dbraw/zinc/08/47/60/574084760.db2.gz GXCKVPLGJXQQAK-GFCCVEGCSA-N 0 3 299.378 2.865 20 30 CFEDHN CC(C)N1CC(N=Nc2ccnc3ccccc23)[C@H](C)C1 ZINC000754256518 574084768 /nfs/dbraw/zinc/08/47/68/574084768.db2.gz AVFUFNCDNIGGBO-CYBMUJFWSA-N 0 3 282.391 2.785 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754407585 574094229 /nfs/dbraw/zinc/09/42/29/574094229.db2.gz HFDUUSSHSAXRAM-OCCSQVGLSA-N 0 3 280.412 2.681 20 30 CFEDHN CCCCCCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000731018655 574107514 /nfs/dbraw/zinc/10/75/14/574107514.db2.gz WRNBVQJOFLZUJT-OAHLLOKOSA-N 0 3 266.429 2.947 20 30 CFEDHN CCCCCCCCNC(=O)NC[C@@H]1CCCN1C ZINC000754863424 574125301 /nfs/dbraw/zinc/12/53/01/574125301.db2.gz BDJCPFFUSZGVRF-AWEZNQCLSA-N 0 3 269.433 2.740 20 30 CFEDHN C#CCCN1CCC(NC(=O)Nc2ccc(C)cc2)CC1 ZINC000745997055 574130678 /nfs/dbraw/zinc/13/06/78/574130678.db2.gz IBWNXBIEYFATEO-UHFFFAOYSA-N 0 3 285.391 2.604 20 30 CFEDHN C=CC1CCN(C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000732206258 574146251 /nfs/dbraw/zinc/14/62/51/574146251.db2.gz WEXGFOFOKJIFSZ-INIZCTEOSA-N 0 3 291.391 2.635 20 30 CFEDHN CCCCCCN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000732266663 574147980 /nfs/dbraw/zinc/14/79/80/574147980.db2.gz HSTKZMGCWLXCRZ-UHFFFAOYSA-N 0 3 279.428 2.841 20 30 CFEDHN CC(C)(C)N1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000732568520 574161559 /nfs/dbraw/zinc/16/15/59/574161559.db2.gz YONIPKBMUOOHNJ-UHFFFAOYSA-N 0 3 298.843 2.979 20 30 CFEDHN CCO[C@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000738318165 574164380 /nfs/dbraw/zinc/16/43/80/574164380.db2.gz AHHMEGNUSLMIEC-INIZCTEOSA-N 0 3 274.364 2.590 20 30 CFEDHN C=CCN(CCOc1ccc(C#N)cc1OC)C(C)C ZINC000740875338 574191701 /nfs/dbraw/zinc/19/17/01/574191701.db2.gz UKNXOCPVPYAIGA-UHFFFAOYSA-N 0 3 274.364 2.842 20 30 CFEDHN C#CCNC(=O)CN(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531532 574200248 /nfs/dbraw/zinc/20/02/48/574200248.db2.gz BMZWQLFQBKDQPC-OLZOCXBDSA-N 0 3 292.810 2.513 20 30 CFEDHN C[C@@]1(C(=O)C(C#N)c2ccc3ccccc3n2)CCCO1 ZINC000756223922 574217679 /nfs/dbraw/zinc/21/76/79/574217679.db2.gz HURQVOCCWOKVCV-DYVFJYSZSA-N 0 3 280.327 2.980 20 30 CFEDHN C=C(C)[C@@H](CC(=O)C(C#N)c1nc(C)cs1)OCC ZINC000756504455 574242305 /nfs/dbraw/zinc/24/23/05/574242305.db2.gz OJTKFNPCJOJKHZ-WCQYABFASA-N 0 3 278.377 2.999 20 30 CFEDHN CCCCCCCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000748436261 574252088 /nfs/dbraw/zinc/25/20/88/574252088.db2.gz RJQALULLHLGOLW-OAHLLOKOSA-N 0 3 286.485 2.900 20 30 CFEDHN CCCCCCCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000748436259 574252114 /nfs/dbraw/zinc/25/21/14/574252114.db2.gz RJQALULLHLGOLW-HNNXBMFYSA-N 0 3 286.485 2.900 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1CCN(C)[C@H](C)C1 ZINC000741459631 574291207 /nfs/dbraw/zinc/29/12/07/574291207.db2.gz FOPCMMXTVHQYND-LLVKDONJSA-N 0 3 276.340 2.785 20 30 CFEDHN N#CCCCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714292 574296011 /nfs/dbraw/zinc/29/60/11/574296011.db2.gz RRMZVRUYHHQMLZ-UHFFFAOYSA-N 0 3 269.348 2.705 20 30 CFEDHN COc1cccc([O-])c1/C=N/C1CCC(C[NH+](C)C)CC1 ZINC000749582893 574300870 /nfs/dbraw/zinc/30/08/70/574300870.db2.gz QZSIPAIZVJDYBE-WOJGMQOQSA-N 0 3 290.407 2.940 20 30 CFEDHN C=C1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741783593 574303316 /nfs/dbraw/zinc/30/33/16/574303316.db2.gz BKNRZTAOVKCKHE-CQSZACIVSA-N 0 3 280.412 2.895 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=S)N[C@H](C)CC)C(C)C ZINC000749767226 574308325 /nfs/dbraw/zinc/30/83/25/574308325.db2.gz ZECNFAGVWMFQPG-HUUCEWRRSA-N 0 3 297.512 2.948 20 30 CFEDHN C#C[C@H](C)OC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000744181062 574318438 /nfs/dbraw/zinc/31/84/38/574318438.db2.gz IPUUJDFTBMNPGP-AWEZNQCLSA-N 0 3 271.360 2.851 20 30 CFEDHN CC(C)N(Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O ZINC000735309213 574320614 /nfs/dbraw/zinc/32/06/14/574320614.db2.gz JGADHXJJYDFGBU-GFCCVEGCSA-N 0 3 296.798 2.834 20 30 CFEDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(C)C#N ZINC000742246273 574321343 /nfs/dbraw/zinc/32/13/43/574321343.db2.gz XMPYHJSQTJRYTI-ZDUSSCGKSA-N 0 3 273.380 2.649 20 30 CFEDHN C#Cc1cccc(N(CC)C(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000742251844 574321403 /nfs/dbraw/zinc/32/14/03/574321403.db2.gz JXLYWIABAYFLTG-GASCZTMLSA-N 0 3 284.403 2.894 20 30 CFEDHN C=CCc1cc(CNCCOC2CCC2)cc(OC)c1O ZINC000742385758 574326431 /nfs/dbraw/zinc/32/64/31/574326431.db2.gz RHKCKLNSZVGVOW-UHFFFAOYSA-N 0 3 291.391 2.788 20 30 CFEDHN C=CCN(C(=O)CN(C)CCCCCC)C(C)C ZINC000735655091 574332257 /nfs/dbraw/zinc/33/22/57/574332257.db2.gz PKHLQFJULODDPK-UHFFFAOYSA-N 0 3 254.418 2.922 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)CCOC(C)C)nc21 ZINC000735791649 574335252 /nfs/dbraw/zinc/33/52/52/574335252.db2.gz ASSFFHNZQRREJV-LBPRGKRZSA-N 0 3 285.347 2.863 20 30 CFEDHN CO[C@@H](C)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000750391446 574337663 /nfs/dbraw/zinc/33/76/63/574337663.db2.gz RQHFKLVPUBQHTM-UWVGGRQHSA-N 0 3 274.345 2.898 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)/C=C/C1CC1)C(C)C ZINC000742670649 574339045 /nfs/dbraw/zinc/33/90/45/574339045.db2.gz NGAJJTSSXQFTHI-ZNFPLGDCSA-N 0 3 276.424 2.767 20 30 CFEDHN C#CCOc1cccc(NC(=O)[C@@H](CC)N(CC)CC)c1 ZINC000736015089 574347290 /nfs/dbraw/zinc/34/72/90/574347290.db2.gz FHTSWIPDKWIMGL-MRXNPFEDSA-N 0 3 288.391 2.758 20 30 CFEDHN C=CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000743841763 574373147 /nfs/dbraw/zinc/37/31/47/574373147.db2.gz VWKFVZLXFMETNH-UHFFFAOYSA-N 0 3 294.351 2.879 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C=CC1CC1 ZINC000744011229 574375799 /nfs/dbraw/zinc/37/57/99/574375799.db2.gz XOVBEIBJIZDTED-BCPZQOPPSA-N 0 3 265.316 2.716 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000744025155 574375862 /nfs/dbraw/zinc/37/58/62/574375862.db2.gz HMOMFLDUPZQMAX-ZHAHRWAOSA-N 0 3 288.734 2.954 20 30 CFEDHN Cc1sc2ncnc(N=NC3CN(C)C[C@H]3C)c2c1C ZINC000752157856 574388613 /nfs/dbraw/zinc/38/86/13/574388613.db2.gz DPCLGBSFMIAHNS-MRVPVSSYSA-N 0 3 289.408 2.658 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000752164149 574388764 /nfs/dbraw/zinc/38/87/64/574388764.db2.gz CYLMVFMOVHHAET-VIFPVBQESA-N 0 3 296.296 2.926 20 30 CFEDHN C[C@@H]1CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000752300278 574390216 /nfs/dbraw/zinc/39/02/16/574390216.db2.gz BJDKJGLHYSWIQP-VXGBXAGGSA-N 0 3 299.399 2.957 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000935663092 649927429 /nfs/dbraw/zinc/92/74/29/649927429.db2.gz PDKPBNBFKVCTMR-DZGCQCFKSA-N 0 3 264.413 2.722 20 30 CFEDHN CC(C)C[C@@H](C#N)NC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900509958 620684159 /nfs/dbraw/zinc/68/41/59/620684159.db2.gz UFXUBBBHCCCALH-HNNXBMFYSA-N 0 3 298.390 2.959 20 30 CFEDHN C#CCN[C@@H]1CCN(C(=O)c2sc3ccccc3c2C)C1 ZINC000969256196 612968210 /nfs/dbraw/zinc/96/82/10/612968210.db2.gz YOTSKBAZKSAKGJ-CYBMUJFWSA-N 0 3 298.411 2.647 20 30 CFEDHN C#CCCN1CC([C@H](C)NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000970935952 612996852 /nfs/dbraw/zinc/99/68/52/612996852.db2.gz APCFKPZYLPOBOR-GJZGRUSLSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 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CFEDHN C=CCN1CCCC2(CN(C(=O)c3occc3CC)C2)C1 ZINC000981991144 613683496 /nfs/dbraw/zinc/68/34/96/613683496.db2.gz ZFCNUOWQCKOZFD-UHFFFAOYSA-N 0 3 288.391 2.566 20 30 CFEDHN C=CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969037210 613685990 /nfs/dbraw/zinc/68/59/90/613685990.db2.gz BYRQXUXUSWIQER-QLFBSQMISA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000940832613 613746453 /nfs/dbraw/zinc/74/64/53/613746453.db2.gz ZSTJCXFYFYCGEG-UKRRQHHQSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C[C@@H]1C ZINC000947576785 613749218 /nfs/dbraw/zinc/74/92/18/613749218.db2.gz RJMNONYTWJHGAA-QWHCGFSZSA-N 0 3 291.395 2.567 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H](C)C1 ZINC000941954191 613749384 /nfs/dbraw/zinc/74/93/84/613749384.db2.gz BUBFFKKOVSUCAA-TZMCWYRMSA-N 0 3 276.380 2.523 20 30 CFEDHN C=CCN1CC[C@@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000940964902 613749753 /nfs/dbraw/zinc/74/97/53/613749753.db2.gz CYMPQZIHRYQSPT-CQSZACIVSA-N 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282.771 2.702 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H](C)C1 ZINC000941823000 613790808 /nfs/dbraw/zinc/79/08/08/613790808.db2.gz FKQDUGKBRZZCKT-QWRGUYRKSA-N 0 3 282.771 2.559 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C[C@H]1C ZINC000947675911 613791408 /nfs/dbraw/zinc/79/14/08/613791408.db2.gz ODXUDAAGOWBUAK-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940556870 613794633 /nfs/dbraw/zinc/79/46/33/613794633.db2.gz GGQNBWQQENGYSE-ZDUSSCGKSA-N 0 3 278.421 2.764 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cncc(Cl)c2)C[C@@H]1C ZINC000947799554 613796485 /nfs/dbraw/zinc/79/64/85/613796485.db2.gz AZUWTZQNWBHFGB-FZMZJTMJSA-N 0 3 293.798 2.504 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2occ3c2CCC3)C[C@@H]1C ZINC000947575605 613801050 /nfs/dbraw/zinc/80/10/50/613801050.db2.gz BHMOQPOVLRCXJS-JSGCOSHPSA-N 0 3 288.391 2.537 20 30 CFEDHN C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCCCCC1 ZINC000960969240 613837265 /nfs/dbraw/zinc/83/72/65/613837265.db2.gz 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/nfs/dbraw/zinc/62/71/04/617627104.db2.gz QEXXNCBCQNBBDZ-MRXNPFEDSA-N 0 3 287.407 2.651 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001020438125 617638439 /nfs/dbraw/zinc/63/84/39/617638439.db2.gz NEWCPLNNEZGOND-JOCQHMNTSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001020554926 617702965 /nfs/dbraw/zinc/70/29/65/617702965.db2.gz ZYKVZAJNXUFWIQ-XUXIUFHCSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001020554925 617703071 /nfs/dbraw/zinc/70/30/71/617703071.db2.gz ZYKVZAJNXUFWIQ-XDQVBPFNSA-N 0 3 284.831 2.802 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001020640842 617758553 /nfs/dbraw/zinc/75/85/53/617758553.db2.gz JMUZZJJWTPJSLZ-MGPQQGTHSA-N 0 3 296.773 2.687 20 30 CFEDHN N#CC(C(=O)CC[C@H]1CCOC1)c1nc2ccccc2[nH]1 ZINC000176080711 617773885 /nfs/dbraw/zinc/77/38/85/617773885.db2.gz KRCRYWYWGYLGDV-NWDGAFQWSA-N 0 3 283.331 2.556 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@H]1CCCOC1 ZINC000778159404 617803074 /nfs/dbraw/zinc/80/30/74/617803074.db2.gz LGCZAVGLDZFTMN-ZDUSSCGKSA-N 0 3 293.794 2.868 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001020859700 617816589 /nfs/dbraw/zinc/81/65/89/617816589.db2.gz FANZBFSUMLZLHJ-PWNZVWSESA-N 0 3 284.831 2.658 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H](CCO)C1CCCC1 ZINC000934009900 617862995 /nfs/dbraw/zinc/86/29/95/617862995.db2.gz OVIJINFMMCUERO-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN COC(=O)C[C@@H](NCC#Cc1ccccc1)C(C)(C)C ZINC000934033672 617872740 /nfs/dbraw/zinc/87/27/40/617872740.db2.gz OAZIEHBTHZOILO-OAHLLOKOSA-N 0 3 273.376 2.606 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001022612174 617949481 /nfs/dbraw/zinc/94/94/81/617949481.db2.gz SOJIOUCIZVCCNJ-OKILXGFUSA-N 0 3 292.810 2.852 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001022620959 617958675 /nfs/dbraw/zinc/95/86/75/617958675.db2.gz UMZZNRJSWXQVNL-DEQVHRJGSA-N 0 3 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ZINC001023443988 618190470 /nfs/dbraw/zinc/19/04/70/618190470.db2.gz YVISZYRFKBXEIA-DLBZAZTESA-N 0 3 288.435 2.584 20 30 CFEDHN C#CCN1CCC[C@H](CNC(=O)c2ccccc2CCC)C1 ZINC001023480081 618192763 /nfs/dbraw/zinc/19/27/63/618192763.db2.gz ZLQVZDJTGSXJHK-MRXNPFEDSA-N 0 3 298.430 2.714 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)no1 ZINC000926154137 618193324 /nfs/dbraw/zinc/19/33/24/618193324.db2.gz RVSQDXZMPJAXGT-OCCSQVGLSA-N 0 3 272.348 2.929 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001022006373 618193692 /nfs/dbraw/zinc/19/36/92/618193692.db2.gz BYGPVQVFZKNMOL-OKILXGFUSA-N 0 3 282.815 2.866 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2ccc(OC)cc2)CCC1 ZINC000933301724 618194806 /nfs/dbraw/zinc/19/48/06/618194806.db2.gz RSBUODXKOFQYAU-ZDUSSCGKSA-N 0 3 286.375 2.558 20 30 CFEDHN N#CC(C(=O)C=Cc1cncc(F)c1)c1ccccn1 ZINC000255342095 618205949 /nfs/dbraw/zinc/20/59/49/618205949.db2.gz NIDQRYKGRNQEAC-ZFDPJTLLSA-N 0 3 267.263 2.505 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)Cc1cccc(=O)[nH]1 ZINC000933399804 618219566 /nfs/dbraw/zinc/21/95/66/618219566.db2.gz XXBZJTWMJSKUEF-UHFFFAOYSA-N 0 3 297.358 2.560 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024309071 618292548 /nfs/dbraw/zinc/29/25/48/618292548.db2.gz SNNAJTXZHGLMOT-MRXNPFEDSA-N 0 3 276.424 2.561 20 30 CFEDHN CCC[C@@]1(CO)CCCN1Cc1csc(C#N)c1 ZINC000894052362 618292713 /nfs/dbraw/zinc/29/27/13/618292713.db2.gz AZJXASUCPNMFQY-AWEZNQCLSA-N 0 3 264.394 2.747 20 30 CFEDHN Cn1ccnc1[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000894061031 618299146 /nfs/dbraw/zinc/29/91/46/618299146.db2.gz AEXNRPGAUJHLBY-CYBMUJFWSA-N 0 3 286.404 2.733 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024372845 618302430 /nfs/dbraw/zinc/30/24/30/618302430.db2.gz BVBRVDGVKRVROB-NCOADZHNSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001024423220 618310590 /nfs/dbraw/zinc/31/05/90/618310590.db2.gz AZJLHJTVXIBVTN-AWEZNQCLSA-N 0 3 289.423 2.738 20 30 CFEDHN CC#CC[C@@H](CO)NCc1cc(C(C)(C)C)oc1C ZINC000895132533 618355441 /nfs/dbraw/zinc/35/54/41/618355441.db2.gz URGAHRWJEVUNEG-AWEZNQCLSA-N 0 3 263.381 2.749 20 30 CFEDHN N#CC1CCC(CN2CCC[C@@H]2c2ncccn2)CC1 ZINC000931055152 618394073 /nfs/dbraw/zinc/39/40/73/618394073.db2.gz NTQGSJHJHZEPLP-YMAMQOFZSA-N 0 3 270.380 2.943 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024601104 618407605 /nfs/dbraw/zinc/40/76/05/618407605.db2.gz HKXHASMYGZQWLA-MRXNPFEDSA-N 0 3 288.435 2.561 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024629234 618426609 /nfs/dbraw/zinc/42/66/09/618426609.db2.gz AAFRQJGPEZBNCH-SJLPKXTDSA-N 0 3 298.430 2.873 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c(C)nn(C(C)C)c2C)C1 ZINC000895203408 618466913 /nfs/dbraw/zinc/46/69/13/618466913.db2.gz OPZQKGBMCRYGGX-HNNXBMFYSA-N 0 3 259.397 2.926 20 30 CFEDHN C#C[C@H]1CCCN(Cc2nccc3c2CCCC3)C1 ZINC000895201944 618468424 /nfs/dbraw/zinc/46/84/24/618468424.db2.gz IBOHPHLAFLZUHU-AWEZNQCLSA-N 0 3 254.377 2.806 20 30 CFEDHN CC1=NO[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000895299874 618519497 /nfs/dbraw/zinc/51/94/97/618519497.db2.gz HORJNBJJKGGGCI-OAHLLOKOSA-N 0 3 271.364 2.742 20 30 CFEDHN C=CCC1(NCc2ccsc2C(=O)OC)CCOCC1 ZINC000895365344 618551513 /nfs/dbraw/zinc/55/15/13/618551513.db2.gz CZCKOTCLCALBSK-UHFFFAOYSA-N 0 3 295.404 2.750 20 30 CFEDHN C#C[C@@H](NCc1c(C)nn(C(C)C)c1C)C1CCOCC1 ZINC000895437272 618585221 /nfs/dbraw/zinc/58/52/21/618585221.db2.gz YOUCORVHUOPGOP-QGZVFWFLSA-N 0 3 289.423 2.599 20 30 CFEDHN OC1(CNCC#Cc2ccccc2)CCC(F)(F)CC1 ZINC000895452206 618594246 /nfs/dbraw/zinc/59/42/46/618594246.db2.gz XURQAYZQNDWSDI-UHFFFAOYSA-N 0 3 279.330 2.568 20 30 CFEDHN C#CCCCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000178058173 618621648 /nfs/dbraw/zinc/62/16/48/618621648.db2.gz OTTRJIGLOLLMBY-LBPRGKRZSA-N 0 3 286.354 2.779 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000892668544 618686937 /nfs/dbraw/zinc/68/69/37/618686937.db2.gz JTMLFPYHYMWNIG-HNNXBMFYSA-N 0 3 299.418 2.779 20 30 CFEDHN C=CCOCCNCc1cc(Cl)c(OC)c(OC)c1 ZINC000311935831 618724905 /nfs/dbraw/zinc/72/49/05/618724905.db2.gz JKRYDKRLPIFDGE-UHFFFAOYSA-N 0 3 285.771 2.649 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NCC2(C#N)CC2)C1 ZINC000926873819 618778117 /nfs/dbraw/zinc/77/81/17/618778117.db2.gz JHAXDKVGPOBZRN-OLZOCXBDSA-N 0 3 293.411 2.573 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001020102051 618801221 /nfs/dbraw/zinc/80/12/21/618801221.db2.gz BYGPVQVFZKNMOL-HDJSIYSDSA-N 0 3 282.815 2.866 20 30 CFEDHN COCCOC[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000893194888 618876728 /nfs/dbraw/zinc/87/67/28/618876728.db2.gz NMYYHMKSKKJGRO-HOCLYGCPSA-N 0 3 276.380 2.673 20 30 CFEDHN C(#Cc1ccccc1)CNCCc1cnc(C2CC2)nc1 ZINC000893256719 618910011 /nfs/dbraw/zinc/91/00/11/618910011.db2.gz VCFMSOAZGAVHII-UHFFFAOYSA-N 0 3 277.371 2.538 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001008694450 618964419 /nfs/dbraw/zinc/96/44/19/618964419.db2.gz HTVGPLIIRKLNTR-JKSUJKDBSA-N 0 3 290.382 2.854 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1COCC1(C)C ZINC000313074228 618974221 /nfs/dbraw/zinc/97/42/21/618974221.db2.gz ZTNLMZZKXXMZDM-HNNXBMFYSA-N 0 3 261.365 2.766 20 30 CFEDHN N#CCC1CCN(Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000893488663 619016861 /nfs/dbraw/zinc/01/68/61/619016861.db2.gz UWYNMWORNHMYGG-UHFFFAOYSA-N 0 3 271.320 2.659 20 30 CFEDHN C=CCCCN(CC)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000893536627 619043008 /nfs/dbraw/zinc/04/30/08/619043008.db2.gz LLGFXWYLUAXENE-KBPBESRZSA-N 0 3 279.428 2.609 20 30 CFEDHN C=CCN(CCOC)Cc1ccc(N(C)C)cc1C ZINC000840941721 619089278 /nfs/dbraw/zinc/08/92/78/619089278.db2.gz IZOMBWQXEISJIE-UHFFFAOYSA-N 0 3 262.397 2.695 20 30 CFEDHN N#CCC[C@@H](C#N)CNC1(Cc2ccccc2)CCOCC1 ZINC000832432991 625332219 /nfs/dbraw/zinc/33/22/19/625332219.db2.gz YBISWLKSNIJPJG-KRWDZBQOSA-N 0 3 297.402 2.811 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H](CC(N)=O)c1ccccc1 ZINC000894633221 619433426 /nfs/dbraw/zinc/43/34/26/619433426.db2.gz ZEGWSXIVSLCRAT-GXTWGEPZSA-N 0 3 273.380 2.521 20 30 CFEDHN CC[C@@H](COCC(F)(F)F)NCC#Cc1ccccc1 ZINC000894668375 619439085 /nfs/dbraw/zinc/43/90/85/619439085.db2.gz SPQFPHUNRQQSEL-AWEZNQCLSA-N 0 3 285.309 2.985 20 30 CFEDHN CC[C@H](COCC(F)(F)F)NCC#Cc1ccccc1 ZINC000894668376 619439145 /nfs/dbraw/zinc/43/91/45/619439145.db2.gz SPQFPHUNRQQSEL-CQSZACIVSA-N 0 3 285.309 2.985 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000894750564 619456690 /nfs/dbraw/zinc/45/66/90/619456690.db2.gz JSCIVXKASLDIJZ-ZFWWWQNUSA-N 0 3 289.423 2.942 20 30 CFEDHN COC(=O)[C@@H](CNCc1ccc(C#N)cc1F)CC(C)C ZINC000894789563 619464672 /nfs/dbraw/zinc/46/46/72/619464672.db2.gz DHZIZQFKRURYDX-CQSZACIVSA-N 0 3 292.354 2.622 20 30 CFEDHN C#C[C@@H](NCc1cnc2onc(C)c2c1)C(C)(C)C ZINC000894785635 619467148 /nfs/dbraw/zinc/46/71/48/619467148.db2.gz XKMRUVDKRHWUOO-CYBMUJFWSA-N 0 3 257.337 2.669 20 30 CFEDHN C#C[C@H](NCc1ccc2oc(=O)oc2c1)C(C)(C)C ZINC000894784497 619467163 /nfs/dbraw/zinc/46/71/63/619467163.db2.gz LXOZDTLSDFZQHG-ZDUSSCGKSA-N 0 3 259.305 2.524 20 30 CFEDHN C=CCSc1ccccc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928434382 619473660 /nfs/dbraw/zinc/47/36/60/619473660.db2.gz CVMFDPIWWWHOPP-TZMCWYRMSA-N 0 3 290.432 2.787 20 30 CFEDHN C=CC[C@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895559191 619555388 /nfs/dbraw/zinc/55/53/88/619555388.db2.gz MQPDKONYPMJHRH-NSHDSACASA-N 0 3 292.335 2.707 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000895674681 619579887 /nfs/dbraw/zinc/57/98/87/619579887.db2.gz CVZBPADEYJDKBB-UHFFFAOYSA-N 0 3 287.334 2.922 20 30 CFEDHN C#CCC1(O)CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000895669377 619582094 /nfs/dbraw/zinc/58/20/94/619582094.db2.gz BDVMBYXEBUMELR-UHFFFAOYSA-N 0 3 295.785 2.872 20 30 CFEDHN C#CCC1(O)CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000895669577 619582533 /nfs/dbraw/zinc/58/25/33/619582533.db2.gz FVTQZUVKBSGRIW-WAYWQWQTSA-N 0 3 298.430 2.616 20 30 CFEDHN C=C(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000895713167 619588642 /nfs/dbraw/zinc/58/86/42/619588642.db2.gz KMABWXZJGYKWDR-LBPRGKRZSA-N 0 3 299.798 2.861 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(C(=O)OC)ccc1Cl ZINC000895712842 619588669 /nfs/dbraw/zinc/58/86/69/619588669.db2.gz DRLJVVWTVFHXKK-CYBMUJFWSA-N 0 3 297.782 2.543 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc3nccnc3c2)CC1 ZINC000895827177 619612722 /nfs/dbraw/zinc/61/27/22/619612722.db2.gz LEFBKNFSQHAUIZ-UHFFFAOYSA-N 0 3 283.375 2.533 20 30 CFEDHN C=CCC1(O)CCN(Cc2cc3cnccc3o2)CC1 ZINC000895835043 619619619 /nfs/dbraw/zinc/61/96/19/619619619.db2.gz WXBCSDYNTWMILZ-UHFFFAOYSA-N 0 3 272.348 2.731 20 30 CFEDHN C=CCC1(O)CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000895836212 619620337 /nfs/dbraw/zinc/62/03/37/619620337.db2.gz YTQSNSHTANABRD-UHFFFAOYSA-N 0 3 292.398 2.795 20 30 CFEDHN CCCCCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000895939255 619640329 /nfs/dbraw/zinc/64/03/29/619640329.db2.gz LGNNTVRTYDFPGO-CABCVRRESA-N 0 3 281.444 2.835 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@H](c3noc(C)n3)C2)c1 ZINC000896236369 619701276 /nfs/dbraw/zinc/70/12/76/619701276.db2.gz IKHDMFIAWPNBNO-OAHLLOKOSA-N 0 3 299.374 2.932 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000896286878 619710565 /nfs/dbraw/zinc/71/05/65/619710565.db2.gz ASZNHGFERBZBPS-AWEZNQCLSA-N 0 3 281.444 2.714 20 30 CFEDHN C=CC[C@@H](C)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896413445 619732241 /nfs/dbraw/zinc/73/22/41/619732241.db2.gz FFENNJCDSIGCNY-CJNGLKHVSA-N 0 3 290.407 2.815 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCS1 ZINC000896953194 619903910 /nfs/dbraw/zinc/90/39/10/619903910.db2.gz WDLGOUOJKZVZPF-SKDRFNHKSA-N 0 3 281.812 2.980 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@H](C3CCOCC3)C2)n1 ZINC000897270089 619962866 /nfs/dbraw/zinc/96/28/66/619962866.db2.gz XOIURJASQROKMQ-HNNXBMFYSA-N 0 3 285.391 2.592 20 30 CFEDHN Cc1ccc(CNCCNc2ccc(C#N)cn2)c(F)c1 ZINC000897395576 620094573 /nfs/dbraw/zinc/09/45/73/620094573.db2.gz HFAFBHBYMTUPLR-UHFFFAOYSA-N 0 3 284.338 2.603 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000862440660 620114187 /nfs/dbraw/zinc/11/41/87/620114187.db2.gz JRFZMHNVHQMMAG-QWRGUYRKSA-N 0 3 252.383 2.594 20 30 CFEDHN C#CC[C@H](COC)NCc1cscc1C(F)(F)F ZINC000862550034 620115877 /nfs/dbraw/zinc/11/58/77/620115877.db2.gz IAWZFDQAHZNTPJ-SNVBAGLBSA-N 0 3 277.311 2.895 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)c1ccccc1[N+](=O)[O-] ZINC000897466591 620177467 /nfs/dbraw/zinc/17/74/67/620177467.db2.gz XXDOBUKLIZFAJX-NSHDSACASA-N 0 3 285.303 2.953 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCCCCC1 ZINC000016484796 620189718 /nfs/dbraw/zinc/18/97/18/620189718.db2.gz JOKGFJVPYKIVGX-HNNXBMFYSA-N 0 3 291.439 2.984 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cscc2C(F)F)C1 ZINC000988851366 620226041 /nfs/dbraw/zinc/22/60/41/620226041.db2.gz PIHPNDHZQBXWHL-NXEZZACHSA-N 0 3 298.358 2.512 20 30 CFEDHN C=C1CCC(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000897577055 620251024 /nfs/dbraw/zinc/25/10/24/620251024.db2.gz RAKJTSSYCYRUGJ-MRXNPFEDSA-N 0 3 276.424 2.866 20 30 CFEDHN C[C@@H](NCc1nc(C#N)cs1)C1CCSCC1 ZINC000897629088 620264026 /nfs/dbraw/zinc/26/40/26/620264026.db2.gz FXZRZKSIRIJQTH-SECBINFHSA-N 0 3 267.423 2.636 20 30 CFEDHN C[C@H]1CC2(CC(NCc3cccc(F)c3C#N)C2)CO1 ZINC000897776444 620279998 /nfs/dbraw/zinc/27/99/98/620279998.db2.gz QJDCVAWVTZDZMN-XOMBGVMMSA-N 0 3 274.339 2.745 20 30 CFEDHN C=CCC[C@H](C)NCc1cc(C(F)(F)F)n(C)n1 ZINC000898021401 620323982 /nfs/dbraw/zinc/32/39/82/620323982.db2.gz FWDYFMUTPPLECW-VIFPVBQESA-N 0 3 261.291 2.883 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000989584849 620382362 /nfs/dbraw/zinc/38/23/62/620382362.db2.gz OJSLPBCJLJIFLX-UHFFFAOYSA-N 0 3 299.418 2.683 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000989835602 620394179 /nfs/dbraw/zinc/39/41/79/620394179.db2.gz VGNGJWDLBJXCBP-NVXWUHKLSA-N 0 3 298.430 2.567 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccoc3C)CCC[C@H]12 ZINC000989940346 620403569 /nfs/dbraw/zinc/40/35/69/620403569.db2.gz SRWDGOSXXKEXIS-GOEBONIOSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989951405 620405321 /nfs/dbraw/zinc/40/53/21/620405321.db2.gz NDABKIDBUIPPHF-CJNGLKHVSA-N 0 3 274.364 2.501 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)CC3=CCCCC3)CCC[C@@H]12 ZINC000990060058 620408344 /nfs/dbraw/zinc/40/83/44/620408344.db2.gz ZICROSLISXDLQV-SJLPKXTDSA-N 0 3 286.419 2.623 20 30 CFEDHN C=CC(C)(C)NCc1ccc(Br)cn1 ZINC000898458006 620466854 /nfs/dbraw/zinc/46/68/54/620466854.db2.gz UTYXIVOUGGYUAC-UHFFFAOYSA-N 0 3 255.159 2.898 20 30 CFEDHN COC(=O)C[C@@H]1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000898483779 620468316 /nfs/dbraw/zinc/46/83/16/620468316.db2.gz NRYZETLQZLDNBT-YPMHNXCESA-N 0 3 290.338 2.519 20 30 CFEDHN C=CCCC(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC000899051603 620519141 /nfs/dbraw/zinc/51/91/41/620519141.db2.gz ZARYLTMTRVHYGE-UHFFFAOYSA-N 0 3 292.770 2.616 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC[C@H]12 ZINC000990997893 621068692 /nfs/dbraw/zinc/06/86/92/621068692.db2.gz NXTHAUXYGJMRDQ-VNHYZAJKSA-N 0 3 298.377 2.721 20 30 CFEDHN COc1ccc(OCCN[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902730819 621160411 /nfs/dbraw/zinc/16/04/11/621160411.db2.gz UAQAEZWNOHCIHB-CYBMUJFWSA-N 0 3 297.358 2.691 20 30 CFEDHN C[C@@H](Cc1ccco1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902732812 621160825 /nfs/dbraw/zinc/16/08/25/621160825.db2.gz KBGZFECKRDPWGJ-RYUDHWBXSA-N 0 3 255.321 2.828 20 30 CFEDHN C[C@H](NCCOc1ccc(F)cc1)c1cc(C#N)ccn1 ZINC000902766420 621169362 /nfs/dbraw/zinc/16/93/62/621169362.db2.gz KCCMAANGMAEFST-LBPRGKRZSA-N 0 3 285.322 2.822 20 30 CFEDHN CCc1nc(CCN[C@H](C)c2cc(C#N)ccn2)cs1 ZINC000902786711 621176176 /nfs/dbraw/zinc/17/61/76/621176176.db2.gz RZBOSOCUHHXMHG-LLVKDONJSA-N 0 3 286.404 2.865 20 30 CFEDHN CC(C)CC[C@@](C)(O)CN[C@H](C)c1cc(C#N)ccn1 ZINC000902814310 621185104 /nfs/dbraw/zinc/18/51/04/621185104.db2.gz CDSWTLYIRXVNOG-CZUORRHYSA-N 0 3 275.396 2.791 20 30 CFEDHN C[C@@H](NCCNc1ccccc1)c1cc(C#N)ccn1 ZINC000902835352 621186936 /nfs/dbraw/zinc/18/69/36/621186936.db2.gz FEJFNLQQNQUAHO-CYBMUJFWSA-N 0 3 266.348 2.716 20 30 CFEDHN C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)c1cc(C#N)ccn1 ZINC000902869477 621192403 /nfs/dbraw/zinc/19/24/03/621192403.db2.gz XLBODRHUSCFRNL-DEYYWGMASA-N 0 3 295.386 2.768 20 30 CFEDHN CC[C@@H](N[C@H]1CC(=O)N(C(C)C)C1)c1cccc(C#N)c1 ZINC000902872162 621193357 /nfs/dbraw/zinc/19/33/57/621193357.db2.gz XBGLHNRPJVBDME-JKSUJKDBSA-N 0 3 285.391 2.608 20 30 CFEDHN CC(C)[C@H](O)C(C)(C)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902887039 621199505 /nfs/dbraw/zinc/19/95/05/621199505.db2.gz DMBFYGSEQIVJOK-WFASDCNBSA-N 0 3 275.396 2.647 20 30 CFEDHN C[C@H](NCCc1cnc(C2CC2)nc1)c1cc(C#N)ccn1 ZINC000902888905 621200117 /nfs/dbraw/zinc/20/01/17/621200117.db2.gz YFRULVODWXYKIR-LBPRGKRZSA-N 0 3 293.374 2.514 20 30 CFEDHN C[C@@H](NC[C@H]1CCC(C)(C)O1)c1cc(C#N)ccn1 ZINC000902962696 621215316 /nfs/dbraw/zinc/21/53/16/621215316.db2.gz KASKBNAZYCIVGX-DGCLKSJQSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@H](NC[C@@H](CO)CC1CCCC1)c1cc(C#N)ccn1 ZINC000902979957 621216659 /nfs/dbraw/zinc/21/66/59/621216659.db2.gz WMFZIMOWDIEYCN-BBRMVZONSA-N 0 3 287.407 2.793 20 30 CFEDHN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902995177 621217837 /nfs/dbraw/zinc/21/78/37/621217837.db2.gz WDQVGQWWWKKMMP-DCGLDWPTSA-N 0 3 281.359 2.726 20 30 CFEDHN C[C@@H](NC[C@@](C)(O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902970797 621220193 /nfs/dbraw/zinc/22/01/93/621220193.db2.gz OQMISSHYHLXTIA-CXAGYDPISA-N 0 3 287.407 2.935 20 30 CFEDHN C[C@@H](NC[C@@H]1COc2ccccc21)c1cc(C#N)ccn1 ZINC000902994740 621220516 /nfs/dbraw/zinc/22/05/16/621220516.db2.gz RNYMTIZYADPPGC-TZMCWYRMSA-N 0 3 279.343 2.780 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903016414 621221867 /nfs/dbraw/zinc/22/18/67/621221867.db2.gz JYDKGTDRJDHVOX-FPMFFAJLSA-N 0 3 259.353 2.560 20 30 CFEDHN CO[C@@](C)([C@H](C)N[C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903020365 621232789 /nfs/dbraw/zinc/23/27/89/621232789.db2.gz YITIBTWJMNKDAV-MKBNYLNASA-N 0 3 273.380 2.807 20 30 CFEDHN C[C@H](N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cc(C#N)ccn1 ZINC000903043369 621232926 /nfs/dbraw/zinc/23/29/26/621232926.db2.gz XEVNUWWFVYTBAA-ZLIFDBKOSA-N 0 3 285.391 2.952 20 30 CFEDHN C=CC[C@H](Cc1ccccc1)N[C@H](C)c1cn(C)nn1 ZINC000903024458 621233803 /nfs/dbraw/zinc/23/38/03/621233803.db2.gz MQBOXKNYMHSAQQ-UKRRQHHQSA-N 0 3 270.380 2.653 20 30 CFEDHN COC1([C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)CCC1 ZINC000903024099 621233991 /nfs/dbraw/zinc/23/39/91/621233991.db2.gz KUYKULCDTNOQLH-NWDGAFQWSA-N 0 3 259.353 2.561 20 30 CFEDHN C[C@H](NCC1(O)CCC(F)(F)CC1)c1cc(C#N)ccn1 ZINC000903056063 621235395 /nfs/dbraw/zinc/23/53/95/621235395.db2.gz GQWANOWLWUISFC-NSHDSACASA-N 0 3 295.333 2.544 20 30 CFEDHN CC[C@H](COCC1CC1)N[C@H](C)c1cc(C#N)ccn1 ZINC000903047010 621240469 /nfs/dbraw/zinc/24/04/69/621240469.db2.gz FFWWTGOTVWDMPQ-IUODEOHRSA-N 0 3 273.380 2.809 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@]12CCCO2)c1cc(C#N)ccn1 ZINC000903088631 621248357 /nfs/dbraw/zinc/24/83/57/621248357.db2.gz MQXBMTYKRUFVDE-MAZHCROVSA-N 0 3 271.364 2.706 20 30 CFEDHN C[C@H](NCC(C)(C)C#N)[C@H]1COc2ccccc2C1 ZINC000903101689 621253565 /nfs/dbraw/zinc/25/35/65/621253565.db2.gz LDOYCZMBJUHVQG-GXTWGEPZSA-N 0 3 258.365 2.766 20 30 CFEDHN CC(C)[C@H](Cn1cccn1)NCC1(C#N)CCCC1 ZINC000903108580 621256231 /nfs/dbraw/zinc/25/62/31/621256231.db2.gz DNUILADVYVAUEE-AWEZNQCLSA-N 0 3 260.385 2.581 20 30 CFEDHN COC[C@H](NCC1(C#N)CCCC1)C1CCCC1 ZINC000903110039 621256695 /nfs/dbraw/zinc/25/66/95/621256695.db2.gz ZGJRBEVYIIVXOS-AWEZNQCLSA-N 0 3 250.386 2.865 20 30 CFEDHN C=CCC[C@@H](COc1ccccc1)NCc1cn(C)cn1 ZINC000903350371 621343145 /nfs/dbraw/zinc/34/31/45/621343145.db2.gz BEWDCSKVDNYJLN-HNNXBMFYSA-N 0 3 285.391 2.924 20 30 CFEDHN CCN1CCC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000903392865 621351611 /nfs/dbraw/zinc/35/16/11/621351611.db2.gz ZQXLMOGPUUEOFB-SJORKVTESA-N 0 3 297.402 2.536 20 30 CFEDHN C[C@H](N[C@H]1COC[C@H]1C1CC1)c1ccc(C#N)cc1F ZINC000903438150 621375226 /nfs/dbraw/zinc/37/52/26/621375226.db2.gz SAWZAXYCHYMXOO-FSBGKCOPSA-N 0 3 274.339 2.773 20 30 CFEDHN CCN(C(=O)[C@H]1CCCN1C(C)C)c1ccc(C#N)cc1 ZINC000903636773 621412583 /nfs/dbraw/zinc/41/25/83/621412583.db2.gz AVCCUJKSHMEYNJ-MRXNPFEDSA-N 0 3 285.391 2.784 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832703486 625487498 /nfs/dbraw/zinc/48/74/98/625487498.db2.gz WFHXBSRTOMZVNZ-UHFFFAOYSA-N 0 3 280.412 2.731 20 30 CFEDHN C=CCCCN(CC)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000904509298 621603721 /nfs/dbraw/zinc/60/37/21/621603721.db2.gz FYMGJVWALJOBLG-UHFFFAOYSA-N 0 3 288.395 2.547 20 30 CFEDHN CCN(CC)c1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1 ZINC000905081067 621690910 /nfs/dbraw/zinc/69/09/10/621690910.db2.gz PAAMTWNBZUDIOK-DYTQJMLRSA-N 0 3 296.374 2.965 20 30 CFEDHN CC1/C(=C/c2cccc3c2OC(C)(C)C3)C(=O)c2ncnn21 ZINC000905082271 621691442 /nfs/dbraw/zinc/69/14/42/621691442.db2.gz VEDJFYKDWVYMFA-QVASGMJFSA-N 0 3 295.342 2.833 20 30 CFEDHN CC1/C(=C/c2ccc(C3CC3)cc2)C(=O)c2ncnn21 ZINC000905084353 621692265 /nfs/dbraw/zinc/69/22/65/621692265.db2.gz IQULZGWAHYUDFA-DOQDJBIESA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C/c2cccc(C3CC3)c2)C(=O)c2ncnn21 ZINC000905083460 621692337 /nfs/dbraw/zinc/69/23/37/621692337.db2.gz DKMOCUSINKGJOY-DOQDJBIESA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C/c2cn(C)nc2C2CCCC2)C(=O)c2ncnn21 ZINC000905086982 621692776 /nfs/dbraw/zinc/69/27/76/621692776.db2.gz UYCFZWQFKHGXRZ-QVASGMJFSA-N 0 3 297.362 2.510 20 30 CFEDHN CCC[C@H](C)CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905777838 621846036 /nfs/dbraw/zinc/84/60/36/621846036.db2.gz PSUMWTMPYCZOMA-SWLSCSKDSA-N 0 3 273.380 2.501 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)C(C)(C)N1CCCCC1 ZINC000907963353 622177917 /nfs/dbraw/zinc/17/79/17/622177917.db2.gz SXQOYMMHKKKXQC-CYBMUJFWSA-N 0 3 252.402 2.722 20 30 CFEDHN CC(C)(C(=O)NCC1CCC(C#N)CC1)N1CCCCC1 ZINC000907992829 622184395 /nfs/dbraw/zinc/18/43/95/622184395.db2.gz JHROCYWDFCMOHT-UHFFFAOYSA-N 0 3 291.439 2.697 20 30 CFEDHN CN(CC(C)(C)C#N)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908401674 622227500 /nfs/dbraw/zinc/22/75/00/622227500.db2.gz WVAUHAIJXWYVIL-UHFFFAOYSA-N 0 3 298.390 2.913 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1 ZINC000911906167 622580807 /nfs/dbraw/zinc/58/08/07/622580807.db2.gz JONUIZCYMPHILN-LBPRGKRZSA-N 0 3 252.745 2.962 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1cccc(Cl)c1 ZINC000911930563 622589674 /nfs/dbraw/zinc/58/96/74/622589674.db2.gz HLNUYMGCPSHYDF-CYBMUJFWSA-N 0 3 266.772 2.640 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000911936564 622592065 /nfs/dbraw/zinc/59/20/65/622592065.db2.gz DGUCRNPFOHSRHO-HZPDHXFCSA-N 0 3 272.392 2.864 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)Nc1ccnn1CC ZINC000912051909 622620590 /nfs/dbraw/zinc/62/05/90/622620590.db2.gz REWORSJAFYMUAL-CYBMUJFWSA-N 0 3 280.416 2.919 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000912114374 622630531 /nfs/dbraw/zinc/63/05/31/622630531.db2.gz IEZBAGVAGPJYQZ-UKRRQHHQSA-N 0 3 290.407 2.864 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000912170780 622655650 /nfs/dbraw/zinc/65/56/50/622655650.db2.gz PNVMVPNNGPBNRU-CZUORRHYSA-N 0 3 290.407 2.946 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000912256623 622665946 /nfs/dbraw/zinc/66/59/46/622665946.db2.gz COOGXIYIDBHWQW-MRXNPFEDSA-N 0 3 290.407 2.774 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(C)ccc1NC(C)=O ZINC000912264722 622668143 /nfs/dbraw/zinc/66/81/43/622668143.db2.gz IZLOEDHFBGZQSI-CYBMUJFWSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cccc(F)c1F ZINC000912266039 622669439 /nfs/dbraw/zinc/66/94/39/622669439.db2.gz TUKYJOKJLNAWPY-SNVBAGLBSA-N 0 3 254.280 2.587 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc2[nH]ccc21 ZINC000912249183 622672291 /nfs/dbraw/zinc/67/22/91/622672291.db2.gz WVHKIEYJVLNKLE-LBPRGKRZSA-N 0 3 257.337 2.790 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000912254068 622673459 /nfs/dbraw/zinc/67/34/59/622673459.db2.gz QFCKJNDMRWWYLX-WFASDCNBSA-N 0 3 276.380 2.556 20 30 CFEDHN Cc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)cc(C)c1C#N ZINC000912284387 622675361 /nfs/dbraw/zinc/67/53/61/622675361.db2.gz QYSRRCMVCNFCDW-OAHLLOKOSA-N 0 3 299.418 2.778 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC(C)(C)c1ccccc1 ZINC000912282668 622675453 /nfs/dbraw/zinc/67/54/53/622675453.db2.gz ZEBCGXVKOCTJAM-CQSZACIVSA-N 0 3 260.381 2.722 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(CC)c1ccc(OC)cc1 ZINC000912277503 622679853 /nfs/dbraw/zinc/67/98/53/622679853.db2.gz UAOQGEGYUVLHJJ-OAHLLOKOSA-N 0 3 276.380 2.732 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCCc2cc(F)ccc21 ZINC000912360248 622693467 /nfs/dbraw/zinc/69/34/67/622693467.db2.gz PBEMMJRJBLNJEZ-AWEZNQCLSA-N 0 3 276.355 2.789 20 30 CFEDHN CCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@H]1CCN(CC)C1 ZINC000912401750 622705666 /nfs/dbraw/zinc/70/56/66/622705666.db2.gz XPIHMEAXRFSWSB-INIZCTEOSA-N 0 3 299.418 2.731 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC[C@@H](C)Oc1ccc(C)cc1 ZINC000912440329 622710829 /nfs/dbraw/zinc/71/08/29/622710829.db2.gz GJPXRUKURHIEIC-GDBMZVCRSA-N 0 3 290.407 2.562 20 30 CFEDHN Cc1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)cn1 ZINC000821621151 622956038 /nfs/dbraw/zinc/95/60/38/622956038.db2.gz IKHPANIVNYZAAI-ZDUSSCGKSA-N 0 3 291.310 2.950 20 30 CFEDHN CCCCCCCCN1CCOC[C@@H]1C[C@@H](C)O ZINC000156878898 622972796 /nfs/dbraw/zinc/97/27/96/622972796.db2.gz FUBHRDXTYUOGGC-CABCVRRESA-N 0 3 257.418 2.819 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@H]12 ZINC000991862201 623189266 /nfs/dbraw/zinc/18/92/66/623189266.db2.gz QCICWVUQBDVNRE-FUHWJXTLSA-N 0 3 299.418 2.611 20 30 CFEDHN CS[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000171402142 623221117 /nfs/dbraw/zinc/22/11/17/623221117.db2.gz ZXUXHIIFOSIYDS-GZMMTYOYSA-N 0 3 296.779 2.739 20 30 CFEDHN CCCCCCCCCN(C)[C@H]1CCN(C)C1=O ZINC000172019715 623253853 /nfs/dbraw/zinc/25/38/53/623253853.db2.gz FJCUFLVCUBRTLA-AWEZNQCLSA-N 0 3 254.418 2.900 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CC2(CC2)C(=O)O1 ZINC000823617816 623363712 /nfs/dbraw/zinc/36/37/12/623363712.db2.gz NJYLNLKEJQWCMO-SWLSCSKDSA-N 0 3 284.359 2.647 20 30 CFEDHN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000173966541 623377442 /nfs/dbraw/zinc/37/74/42/623377442.db2.gz RBBWEMOZPMFRKS-AAEUAGOBSA-N 0 3 258.321 2.770 20 30 CFEDHN N#CC(C(=O)CCC(F)(F)F)C(=O)Nc1ccccc1 ZINC000173967557 623378245 /nfs/dbraw/zinc/37/82/45/623378245.db2.gz SDYKFGLXMWNTDU-SNVBAGLBSA-N 0 3 284.237 2.676 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823894641 623415586 /nfs/dbraw/zinc/41/55/86/623415586.db2.gz VJPABOUWRKEHTF-NSHDSACASA-N 0 3 289.358 2.840 20 30 CFEDHN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823894641 623415589 /nfs/dbraw/zinc/41/55/89/623415589.db2.gz VJPABOUWRKEHTF-NSHDSACASA-N 0 3 289.358 2.840 20 30 CFEDHN COc1ccc(CNCc2ccc(O)c(F)c2)cc1C#N ZINC000174417834 623417410 /nfs/dbraw/zinc/41/74/10/623417410.db2.gz CKFYITDBBKYKSS-UHFFFAOYSA-N 0 3 286.306 2.701 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(CC=C)CC3)cc1 ZINC000992100114 623455302 /nfs/dbraw/zinc/45/53/02/623455302.db2.gz PLRBCDGTVIYARE-PKOBYXMFSA-N 0 3 294.398 2.581 20 30 CFEDHN C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2N(CC=C)CC3)cc1 ZINC000992100108 623455498 /nfs/dbraw/zinc/45/54/98/623455498.db2.gz PLRBCDGTVIYARE-IEBWSBKVSA-N 0 3 294.398 2.581 20 30 CFEDHN CCCCCCN(C)CC(=O)NCc1cccc(C#N)c1 ZINC000111560788 623456343 /nfs/dbraw/zinc/45/63/43/623456343.db2.gz UFKCJYJUHFVGDT-UHFFFAOYSA-N 0 3 287.407 2.687 20 30 CFEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCCC3(C)C)CCC[C@@H]12 ZINC000992116955 623458972 /nfs/dbraw/zinc/45/89/72/623458972.db2.gz HZPJWQIITAGYRE-IIDMSEBBSA-N 0 3 288.435 2.559 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)co3)CCC[C@@H]12 ZINC000992130865 623463850 /nfs/dbraw/zinc/46/38/50/623463850.db2.gz LYFXZVQIUNUINJ-GDBMZVCRSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3CCC(F)CC3)CCC[C@@H]12 ZINC000992152129 623470251 /nfs/dbraw/zinc/47/02/51/623470251.db2.gz LRGRAJUVUFINCJ-BOXZVXIZSA-N 0 3 294.414 2.814 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H]3Cc4ccccc43)CCC[C@@H]12 ZINC000992152772 623470569 /nfs/dbraw/zinc/47/05/69/623470569.db2.gz KKSYVFXQCAQWNX-YQVWRLOYSA-N 0 3 296.414 2.626 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3csc(C)c3)CCC[C@H]12 ZINC000992314418 623515588 /nfs/dbraw/zinc/51/55/88/623515588.db2.gz IKEZWXQLHPIDLV-HOCLYGCPSA-N 0 3 290.432 2.969 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)C3(F)CCCCC3)CCC[C@H]12 ZINC000992377852 623528292 /nfs/dbraw/zinc/52/82/92/623528292.db2.gz IRLQYAKWWZBDCV-YOEHRIQHSA-N 0 3 294.414 2.958 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000824657369 623540488 /nfs/dbraw/zinc/54/04/88/623540488.db2.gz DYPQDTQDXATULN-OLZOCXBDSA-N 0 3 252.402 2.578 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H](CC)[C@@H](C)O ZINC000824921897 623589588 /nfs/dbraw/zinc/58/95/88/623589588.db2.gz VOURGQZLZFSTKX-BXUZGUMPSA-N 0 3 281.783 2.601 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC1(CO)CC1 ZINC000825039917 623613749 /nfs/dbraw/zinc/61/37/49/623613749.db2.gz BHUGIXSMLVFAKI-UHFFFAOYSA-N 0 3 293.794 2.604 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccc(C)nc3C)CCC[C@H]12 ZINC000992491349 623615631 /nfs/dbraw/zinc/61/56/31/623615631.db2.gz FAFQSYMFZUYZLO-WMZOPIPTSA-N 0 3 299.418 2.611 20 30 CFEDHN C=CCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000825168310 623642982 /nfs/dbraw/zinc/64/29/82/623642982.db2.gz GAGXXZWNRISOIL-CYBMUJFWSA-N 0 3 269.772 2.771 20 30 CFEDHN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC000993073183 623888226 /nfs/dbraw/zinc/88/82/26/623888226.db2.gz QCOCLJYNTYMZOC-DZGCQCFKSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC000993073183 623888237 /nfs/dbraw/zinc/88/82/37/623888237.db2.gz QCOCLJYNTYMZOC-DZGCQCFKSA-N 0 3 288.391 2.551 20 30 CFEDHN CCCCc1oc2ccccc2c1C=NNC(=N)N ZINC000915050881 623976161 /nfs/dbraw/zinc/97/61/61/623976161.db2.gz MORKMALKXKLVQS-UHFFFAOYSA-N 0 3 258.325 2.592 20 30 CFEDHN C#Cc1cnc(NC[C@H](c2cccs2)N2CCCC2)nc1 ZINC000827297773 623982967 /nfs/dbraw/zinc/98/29/67/623982967.db2.gz DWTAUCQCGGAHLU-CQSZACIVSA-N 0 3 298.415 2.768 20 30 CFEDHN C#Cc1cnc(NC[C@@H](c2ccco2)N(CC)CC)nc1 ZINC000827484226 624013282 /nfs/dbraw/zinc/01/32/82/624013282.db2.gz RAOSPHGEMRZFPI-AWEZNQCLSA-N 0 3 284.363 2.546 20 30 CFEDHN C#C[C@H](N[C@H](C)c1cc2cnccc2o1)C1CCOCC1 ZINC000827554936 624030239 /nfs/dbraw/zinc/03/02/39/624030239.db2.gz LMNBVNKJFVETSD-DOMZBBRYSA-N 0 3 284.359 2.907 20 30 CFEDHN C#C[C@@H](NCc1cnc(Cl)c(C)c1)C1CCOCC1 ZINC000827564717 624033655 /nfs/dbraw/zinc/03/36/55/624033655.db2.gz FLORWUDTACLUCR-CQSZACIVSA-N 0 3 278.783 2.561 20 30 CFEDHN C#C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)C1CCOCC1 ZINC000827565481 624033882 /nfs/dbraw/zinc/03/38/82/624033882.db2.gz MHHSGUBKLQPRSR-QGZVFWFLSA-N 0 3 295.386 2.595 20 30 CFEDHN C#C[C@H](NCc1cc(C)ccc1OC)C1CCOCC1 ZINC000827570121 624034707 /nfs/dbraw/zinc/03/47/07/624034707.db2.gz IODRQIFPWAMCMB-INIZCTEOSA-N 0 3 273.376 2.522 20 30 CFEDHN C#CCC[N@@H+](CCOC)Cc1cc(Cl)cc(C)c1[O-] ZINC000827823219 624102422 /nfs/dbraw/zinc/10/24/22/624102422.db2.gz LFKCTBYHQKLEBQ-UHFFFAOYSA-N 0 3 281.783 2.826 20 30 CFEDHN C#CCC[N@H+](CCOC)Cc1cc(Cl)cc(C)c1[O-] ZINC000827823219 624102425 /nfs/dbraw/zinc/10/24/25/624102425.db2.gz LFKCTBYHQKLEBQ-UHFFFAOYSA-N 0 3 281.783 2.826 20 30 CFEDHN C=CCN1CCC[C@H](NC(=O)c2ccn3ccccc23)[C@H]1C ZINC000993591733 624155370 /nfs/dbraw/zinc/15/53/70/624155370.db2.gz SEDIOBIRXNDAQM-ZBFHGGJFSA-N 0 3 297.402 2.708 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)c2ccn3ccccc23)[C@@H]1C ZINC000993591730 624155573 /nfs/dbraw/zinc/15/55/73/624155573.db2.gz SEDIOBIRXNDAQM-GOEBONIOSA-N 0 3 297.402 2.708 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993679783 624157771 /nfs/dbraw/zinc/15/77/71/624157771.db2.gz YGPBYAIUPZZYHO-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993657717 624159293 /nfs/dbraw/zinc/15/92/93/624159293.db2.gz QOWNYRIYELPEGU-CABCVRRESA-N 0 3 276.424 2.559 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC000993738471 624163506 /nfs/dbraw/zinc/16/35/06/624163506.db2.gz CYIKOXQLVJBILS-HZPDHXFCSA-N 0 3 290.451 2.949 20 30 CFEDHN C=CCN1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@@H]1C ZINC000993840684 624171008 /nfs/dbraw/zinc/17/10/08/624171008.db2.gz GPCLDQQAAWIDFJ-XJKSGUPXSA-N 0 3 297.402 2.937 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000993901814 624172285 /nfs/dbraw/zinc/17/22/85/624172285.db2.gz LMBFNOPMBJQXAI-HOCLYGCPSA-N 0 3 289.423 2.790 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993983870 624177321 /nfs/dbraw/zinc/17/73/21/624177321.db2.gz GVBAFWRMHUJKCW-DZGCQCFKSA-N 0 3 290.432 2.663 20 30 CFEDHN C=C(C)CCN1CCC[C@@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994061292 624178496 /nfs/dbraw/zinc/17/84/96/624178496.db2.gz OOBKKDJJIPLXKT-QWHCGFSZSA-N 0 3 293.436 2.692 20 30 CFEDHN CCON=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000915958254 624192095 /nfs/dbraw/zinc/19/20/95/624192095.db2.gz UQKDNBPYKCTFDY-UHFFFAOYSA-N 0 3 264.344 2.857 20 30 CFEDHN COc1ccccc1/C=C\C=NNCCN1CCCCC1 ZINC000915973292 624198780 /nfs/dbraw/zinc/19/87/80/624198780.db2.gz FBTKFKUHNAYQKY-APMIAGGRSA-N 0 3 287.407 2.770 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994271342 624267461 /nfs/dbraw/zinc/26/74/61/624267461.db2.gz BNRIAYIZSVTHGS-NVXWUHKLSA-N 0 3 284.403 2.601 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)CCC(C)(F)F ZINC000916875301 624290156 /nfs/dbraw/zinc/29/01/56/624290156.db2.gz XQSIOXAHNWIUSC-LLVKDONJSA-N 0 3 288.338 2.827 20 30 CFEDHN N#CCCNC(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000917064871 624305997 /nfs/dbraw/zinc/30/59/97/624305997.db2.gz PEGDMKBLXBCILO-MRXNPFEDSA-N 0 3 285.391 2.634 20 30 CFEDHN CN1CCC[C@H]1CSc1ccc(C#N)cc1F ZINC000917092508 624311260 /nfs/dbraw/zinc/31/12/60/624311260.db2.gz OALUTKDDJXTPLK-NSHDSACASA-N 0 3 250.342 2.884 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)CCC2(C)C)CC1 ZINC000917093085 624311642 /nfs/dbraw/zinc/31/16/42/624311642.db2.gz UTOWUUGWKKGXOF-CQSZACIVSA-N 0 3 293.455 2.999 20 30 CFEDHN C=C(Br)CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000828889141 624322270 /nfs/dbraw/zinc/32/22/70/624322270.db2.gz RPKLMLQBCZLAHX-RYUDHWBXSA-N 0 3 274.202 2.786 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=C2CCCC2)nc(C)n1 ZINC000918486559 624440162 /nfs/dbraw/zinc/44/01/62/624440162.db2.gz WTKNQYZTFSXPPA-ZDUSSCGKSA-N 0 3 255.321 2.770 20 30 CFEDHN CCCCCCCCCN(C)CC(=O)N1CCC1 ZINC000918742084 624484741 /nfs/dbraw/zinc/48/47/41/624484741.db2.gz UGMXEGUTHIJHSQ-UHFFFAOYSA-N 0 3 254.418 2.901 20 30 CFEDHN CCCCCCCCCN(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000918742063 624484914 /nfs/dbraw/zinc/48/49/14/624484914.db2.gz SKORCLUOTOEWBA-INIZCTEOSA-N 0 3 298.471 2.916 20 30 CFEDHN CCCCCCCCCN(C)[C@@H](C)C(=O)NC(=O)NC ZINC000918741676 624484954 /nfs/dbraw/zinc/48/49/54/624484954.db2.gz LPSVBOBWGVARSH-ZDUSSCGKSA-N 0 3 285.432 2.513 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 ZINC000829768586 624527421 /nfs/dbraw/zinc/52/74/21/624527421.db2.gz GXAOVDGBMAVSQJ-ZDUSSCGKSA-N 0 3 289.350 2.928 20 30 CFEDHN C#CC[C@@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000829768546 624528227 /nfs/dbraw/zinc/52/82/27/624528227.db2.gz FWFFRTWZDIVJTI-BZUAXINKSA-N 0 3 276.424 2.511 20 30 CFEDHN C#CC[C@@H]1CCCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000829774582 624530973 /nfs/dbraw/zinc/53/09/73/624530973.db2.gz QLEPZVTVASJUPO-QBPKDAKJSA-N 0 3 290.451 2.615 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000829779240 624534732 /nfs/dbraw/zinc/53/47/32/624534732.db2.gz PEWDVFDGHOFOMA-ZDUSSCGKSA-N 0 3 288.347 2.839 20 30 CFEDHN C#CC[C@@H]1CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000829779557 624534814 /nfs/dbraw/zinc/53/48/14/624534814.db2.gz WSEHEFMVXGPYPX-IUODEOHRSA-N 0 3 279.330 2.734 20 30 CFEDHN C[C@H](C#N)OCCNC1(c2ccccc2F)CCC1 ZINC000829891742 624578130 /nfs/dbraw/zinc/57/81/30/624578130.db2.gz IDTFSXWCOLATAB-GFCCVEGCSA-N 0 3 262.328 2.723 20 30 CFEDHN COc1cccc(O)c1/C=N\CCN(C)Cc1ccccc1 ZINC000920175643 624695346 /nfs/dbraw/zinc/69/53/46/624695346.db2.gz ZCWQRQDGTVJUCT-UYRXBGFRSA-N 0 3 298.386 2.952 20 30 CFEDHN C#CC1CCN(Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000830321468 624707738 /nfs/dbraw/zinc/70/77/38/624707738.db2.gz MYZHMBCVIVUGEO-UHFFFAOYSA-N 0 3 282.391 2.857 20 30 CFEDHN CC#CC(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000920577627 624742990 /nfs/dbraw/zinc/74/29/90/624742990.db2.gz OVHNPBBJRCBPBH-KRWDZBQOSA-N 0 3 284.403 2.523 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175113630 624927258 /nfs/dbraw/zinc/92/72/58/624927258.db2.gz GMWZPQNOFJTQPW-IUCAKERBSA-N 0 3 298.795 2.738 20 30 CFEDHN C#CCOc1ccc(CN2CCSC[C@@H]2C)cc1 ZINC000179664150 624972306 /nfs/dbraw/zinc/97/23/06/624972306.db2.gz IOJRQVUVFPXHRR-ZDUSSCGKSA-N 0 3 261.390 2.636 20 30 CFEDHN C#CCCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180653577 625032829 /nfs/dbraw/zinc/03/28/29/625032829.db2.gz OXQAHLZVCXUZHA-INIZCTEOSA-N 0 3 271.339 2.652 20 30 CFEDHN C#CCOc1ccccc1CN(C)C[C@H]1CCCC[C@@H]1O ZINC000181094336 625064912 /nfs/dbraw/zinc/06/49/12/625064912.db2.gz WMXIZCLSXOBZOZ-WBVHZDCISA-N 0 3 287.403 2.682 20 30 CFEDHN C=C(C)CN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000181333472 625113264 /nfs/dbraw/zinc/11/32/64/625113264.db2.gz GJZUBVJGEUPSNT-AWEZNQCLSA-N 0 3 260.337 2.520 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000834886765 625909702 /nfs/dbraw/zinc/90/97/02/625909702.db2.gz BOSHMPYUJHOGGY-XKQJLSEDSA-N 0 3 283.375 2.866 20 30 CFEDHN CN(C)c1ccc(/C=C\C=NN[C@H]2CCCOC2)cc1 ZINC000834971616 625938328 /nfs/dbraw/zinc/93/83/28/625938328.db2.gz GARDQJMPCLOQHY-UCWQBKBGSA-N 0 3 273.380 2.520 20 30 CFEDHN CC#CCN1CCC([C@@H](C)NC(=O)[C@H]2CCC2(C)C)CC1 ZINC000997274632 625986388 /nfs/dbraw/zinc/98/63/88/625986388.db2.gz OMMHRQSASDCWNZ-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN CCCC(=O)N1CCC(CNCc2ccccc2C#N)CC1 ZINC000997471527 625997186 /nfs/dbraw/zinc/99/71/86/625997186.db2.gz AYMHZQAMGWQEJV-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)c2ccc(CC)cc2)CC1 ZINC000997858848 626017001 /nfs/dbraw/zinc/01/70/01/626017001.db2.gz VWJHYQLONHITLD-HNNXBMFYSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCN1CCC[C@@H](N(CC)C(=O)C2C=CC=CC=C2)CC1 ZINC000998023539 626028156 /nfs/dbraw/zinc/02/81/56/626028156.db2.gz QZAGNCUGSUFRCF-GOSISDBHSA-N 0 3 298.430 2.621 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001016137701 626068889 /nfs/dbraw/zinc/06/88/89/626068889.db2.gz NPIVPQJGHGNOIJ-JCYILVPMSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016152435 626075128 /nfs/dbraw/zinc/07/51/28/626075128.db2.gz INRKRNYIESGBFF-INIZCTEOSA-N 0 3 272.392 2.629 20 30 CFEDHN C=CCSCCNCc1nccc2c1CCCC2 ZINC000921688894 626085661 /nfs/dbraw/zinc/08/56/61/626085661.db2.gz JTNSORSADGIHQB-UHFFFAOYSA-N 0 3 262.422 2.969 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001000548814 626125030 /nfs/dbraw/zinc/12/50/30/626125030.db2.gz DVBWKHVLEYJVLG-UHFFFAOYSA-N 0 3 276.424 2.603 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2cc(C)c(C)s2)CC1 ZINC001001428904 626157456 /nfs/dbraw/zinc/15/74/56/626157456.db2.gz UFVBGOYHBJVEIZ-UHFFFAOYSA-N 0 3 290.432 2.913 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(C3CC3)cn2)CC1 ZINC001001419118 626157602 /nfs/dbraw/zinc/15/76/02/626157602.db2.gz PGLBUUKTSXINQN-UHFFFAOYSA-N 0 3 297.402 2.507 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001001564620 626160622 /nfs/dbraw/zinc/16/06/22/626160622.db2.gz SHRVOFBKSVWRJO-IRXDYDNUSA-N 0 3 290.451 2.664 20 30 CFEDHN C[C@@H](C[C@@H](O)c1ccco1)NCc1csc(C#N)c1 ZINC000921950944 626184147 /nfs/dbraw/zinc/18/41/47/626184147.db2.gz UPAMOTYWWWWMCS-GXFFZTMASA-N 0 3 276.361 2.815 20 30 CFEDHN C=CCCCCNCc1csc(-c2ccn(C)n2)n1 ZINC000922006626 626195289 /nfs/dbraw/zinc/19/52/89/626195289.db2.gz LGZLAMUKHQKHOO-UHFFFAOYSA-N 0 3 276.409 2.990 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2csc(C#N)c2)c1 ZINC000922039648 626200342 /nfs/dbraw/zinc/20/03/42/626200342.db2.gz ULPXSNGHBYIFGH-OAHLLOKOSA-N 0 3 286.400 2.621 20 30 CFEDHN C[C@H](O)CCCNCc1cc(C#N)ccc1Br ZINC000922073472 626204052 /nfs/dbraw/zinc/20/40/52/626204052.db2.gz IIPNOWPOXAZGAV-JTQLQIEISA-N 0 3 297.196 2.571 20 30 CFEDHN Cc1nn(C)c(CNCC(C)(C)CCC#N)c1Cl ZINC000922126767 626211708 /nfs/dbraw/zinc/21/17/08/626211708.db2.gz DXXFKZCOYCJNDW-UHFFFAOYSA-N 0 3 268.792 2.802 20 30 CFEDHN C[C@@H](COCC1CC1)NCc1csc(C#N)c1 ZINC000922218994 626243419 /nfs/dbraw/zinc/24/34/19/626243419.db2.gz DIXPVTJRHLVITF-JTQLQIEISA-N 0 3 250.367 2.524 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC001003802059 626258013 /nfs/dbraw/zinc/25/80/13/626258013.db2.gz MOOUGDNJPYGEAD-CYBMUJFWSA-N 0 3 290.407 2.767 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001003998137 626277028 /nfs/dbraw/zinc/27/70/28/626277028.db2.gz PRKUXGBTOBMIQR-HNNXBMFYSA-N 0 3 286.419 2.865 20 30 CFEDHN CC(C)(Cc1ccc(C#N)cc1)NCc1cc2n(n1)CCC2 ZINC000922603196 626323596 /nfs/dbraw/zinc/32/35/96/626323596.db2.gz HRZBSYHOKCHALU-UHFFFAOYSA-N 0 3 294.402 2.812 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2sccc2C)CC1 ZINC001005051987 626407512 /nfs/dbraw/zinc/40/75/12/626407512.db2.gz AHYQWMVIUGCHST-UHFFFAOYSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001005415730 626414811 /nfs/dbraw/zinc/41/48/11/626414811.db2.gz NVTXLYJGDNZTHP-HLLBOEOZSA-N 0 3 288.435 2.698 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)CC=CCC2)CC1 ZINC001005443221 626415180 /nfs/dbraw/zinc/41/51/80/626415180.db2.gz VUGDRKTWJPRIBU-QGZVFWFLSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C23CCC(CC2)C3)CC1 ZINC001005593731 626418004 /nfs/dbraw/zinc/41/80/04/626418004.db2.gz UGQCOGJSCUEMJZ-UHFFFAOYSA-N 0 3 276.424 2.676 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H](O)c2ccccn2)C2CC2)cc1 ZINC000851738683 634502593 /nfs/dbraw/zinc/50/25/93/634502593.db2.gz OJRWPMWIGYISRP-GOSISDBHSA-N 0 3 293.370 2.651 20 30 CFEDHN Cn1nc(CNCC(C)(C)CCC#N)cc1C1CC1 ZINC000922957348 626433009 /nfs/dbraw/zinc/43/30/09/626433009.db2.gz STQQDYIFLPJRDC-UHFFFAOYSA-N 0 3 260.385 2.717 20 30 CFEDHN N#Cc1ccc(CNC[C@]2(c3ccccc3)CCCO2)o1 ZINC000922962764 626435035 /nfs/dbraw/zinc/43/50/35/626435035.db2.gz UWYVDPFKVAFJEG-KRWDZBQOSA-N 0 3 282.343 2.947 20 30 CFEDHN C#CCC1(NCc2cn3cc(C)ccc3n2)CCC1 ZINC000922997190 626441050 /nfs/dbraw/zinc/44/10/50/626441050.db2.gz GOJVRNOEPYPYEE-UHFFFAOYSA-N 0 3 253.349 2.678 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001005950247 626453660 /nfs/dbraw/zinc/45/36/60/626453660.db2.gz SFRAEYDIIVGSRU-RHSMWYFYSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001006021966 626462694 /nfs/dbraw/zinc/46/26/94/626462694.db2.gz JTAYSQOSAOQVRT-GDBMZVCRSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001006117781 626477178 /nfs/dbraw/zinc/47/71/78/626477178.db2.gz DFZNPOULIYJXGH-JKSUJKDBSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCCCC[C@H](C)NCc1nn(CC)nc1C ZINC000824072970 626480415 /nfs/dbraw/zinc/48/04/15/626480415.db2.gz ADKRTRPTKFXEEZ-LBPRGKRZSA-N 0 3 250.390 2.831 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001006216501 626480568 /nfs/dbraw/zinc/48/05/68/626480568.db2.gz AZCTXINSGMYBHE-GDBMZVCRSA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cccc(Cl)c1C ZINC000838624208 626502087 /nfs/dbraw/zinc/50/20/87/626502087.db2.gz MLFNTXBSVYCGGX-UHFFFAOYSA-N 0 3 293.798 2.725 20 30 CFEDHN C#CCN(C)CCCNC(=O)N(CC(C)C)C1CCCC1 ZINC000838622349 626502090 /nfs/dbraw/zinc/50/20/90/626502090.db2.gz FVKVRNVNOUBSAB-UHFFFAOYSA-N 0 3 293.455 2.552 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@]1(C)CC(C)C ZINC000838622589 626502125 /nfs/dbraw/zinc/50/21/25/626502125.db2.gz WJPOJCHZUFROQL-QGZVFWFLSA-N 0 3 293.455 2.552 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)CC(F)(F)F ZINC000838789014 626506924 /nfs/dbraw/zinc/50/69/24/626506924.db2.gz XSIKHYSWRVAOKX-NXEZZACHSA-N 0 3 292.301 2.590 20 30 CFEDHN CS[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842938577 626520447 /nfs/dbraw/zinc/52/04/47/626520447.db2.gz LCQSOQJMTAIEAB-CBAPKCEASA-N 0 3 266.391 2.948 20 30 CFEDHN CCOc1ccc(C[NH2+]CC(C)(C)CC#N)c([O-])c1 ZINC000839163120 626531512 /nfs/dbraw/zinc/53/15/12/626531512.db2.gz IKCNMXANJBKIDI-UHFFFAOYSA-N 0 3 262.353 2.820 20 30 CFEDHN CC[C@H](C)NN=C(C)c1cccc(N2CCOCC2)c1 ZINC000790181068 626541281 /nfs/dbraw/zinc/54/12/81/626541281.db2.gz CFZLVPCTACELEH-ZDUSSCGKSA-N 0 3 275.396 2.635 20 30 CFEDHN CN(CC(=O)NCCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000839651297 626549547 /nfs/dbraw/zinc/54/95/47/626549547.db2.gz SKCQBIFUYBARPH-SJORKVTESA-N 0 3 299.418 2.674 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@]12CCN(CCCC#N)C2 ZINC000839678061 626552064 /nfs/dbraw/zinc/55/20/64/626552064.db2.gz YQYZETFHANSHCZ-MRXNPFEDSA-N 0 3 293.411 2.766 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000757858646 626565557 /nfs/dbraw/zinc/56/55/57/626565557.db2.gz PMMVIPYIGUIQKM-WBVHZDCISA-N 0 3 284.403 2.742 20 30 CFEDHN C[C@@H](CC#N)NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000757910406 626567728 /nfs/dbraw/zinc/56/77/28/626567728.db2.gz VGIHJAXHKSJQEG-ZDUSSCGKSA-N 0 3 295.427 2.915 20 30 CFEDHN C[C@H](CC#N)NCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000757910403 626567762 /nfs/dbraw/zinc/56/77/62/626567762.db2.gz VGIHJAXHKSJQEG-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)CC1(C)CC1 ZINC000759689238 626684206 /nfs/dbraw/zinc/68/42/06/626684206.db2.gz RTDSSWCYZBVZEQ-CQSZACIVSA-N 0 3 284.359 2.544 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ncccc2C)nc(C)n1 ZINC000760198035 626719078 /nfs/dbraw/zinc/71/90/78/626719078.db2.gz PYQKBXVNHABUJF-PSKZRQQASA-N 0 3 292.342 2.687 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2ncccc2C)nc(C)n1 ZINC000760198033 626719265 /nfs/dbraw/zinc/71/92/65/626719265.db2.gz PYQKBXVNHABUJF-AFNCTOJWSA-N 0 3 292.342 2.687 20 30 CFEDHN C[C@H](OC1CCCCCC1)C(=O)C(C#N)c1ccncn1 ZINC000760359899 626740069 /nfs/dbraw/zinc/74/00/69/626740069.db2.gz VHJZDOCZHPTABL-JSGCOSHPSA-N 0 3 287.363 2.781 20 30 CFEDHN C#CCCN(CCOC)Cc1ccc(Br)cc1 ZINC000760819973 626775026 /nfs/dbraw/zinc/77/50/26/626775026.db2.gz MSQWUNFRGRZTHH-UHFFFAOYSA-N 0 3 296.208 2.921 20 30 CFEDHN C#CCSCCNCc1cc2ccccc2nc1OC ZINC000764140407 627042400 /nfs/dbraw/zinc/04/24/00/627042400.db2.gz PTKFBRSYGNVPCO-UHFFFAOYSA-N 0 3 286.400 2.699 20 30 CFEDHN CC#CC(=O)N(CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000764471959 627063332 /nfs/dbraw/zinc/06/33/32/627063332.db2.gz JSGAXELCGPYFER-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCc2cc(C)[nH]n2)cc1 ZINC000766082705 627176018 /nfs/dbraw/zinc/17/60/18/627176018.db2.gz BELGLPNWMKUUPN-ZDUSSCGKSA-N 0 3 269.348 2.581 20 30 CFEDHN C#CCCCN(CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000766912773 627226405 /nfs/dbraw/zinc/22/64/05/627226405.db2.gz JWOYQLDKZOQSBW-OAHLLOKOSA-N 0 3 286.419 2.901 20 30 CFEDHN C#CCOCCN1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000851859794 634561546 /nfs/dbraw/zinc/56/15/46/634561546.db2.gz BCIXJLCZFPQXDA-INIZCTEOSA-N 0 3 289.350 2.513 20 30 CFEDHN C#CCNC(=O)CN1CCC[C@H]1CCC1CCCCC1 ZINC000767902053 627293572 /nfs/dbraw/zinc/29/35/72/627293572.db2.gz LCVAPDHSSCBIQB-INIZCTEOSA-N 0 3 276.424 2.561 20 30 CFEDHN C=CCCCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445755 627343944 /nfs/dbraw/zinc/34/39/44/627343944.db2.gz IWMRVVBBKUDXOC-INIZCTEOSA-N 0 3 291.391 2.996 20 30 CFEDHN C=CCCCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445755 627343948 /nfs/dbraw/zinc/34/39/48/627343948.db2.gz IWMRVVBBKUDXOC-INIZCTEOSA-N 0 3 291.391 2.996 20 30 CFEDHN CCCCCCC[C@H](C)NCc1cc(C(N)=O)no1 ZINC000768530080 627351230 /nfs/dbraw/zinc/35/12/30/627351230.db2.gz XMNZVTNPYGXPGT-NSHDSACASA-N 0 3 267.373 2.612 20 30 CFEDHN C#CCCOc1ccc(CN2CCN(CC)[C@H](C)C2)cc1 ZINC000769382593 627432625 /nfs/dbraw/zinc/43/26/25/627432625.db2.gz YPHHAUGDTHUMNI-MRXNPFEDSA-N 0 3 286.419 2.615 20 30 CFEDHN C#CCOCCNC1(c2ccc(F)cc2F)CCCC1 ZINC000851904181 634581317 /nfs/dbraw/zinc/58/13/17/634581317.db2.gz SAEFPOMWRRZNOZ-UHFFFAOYSA-N 0 3 279.330 2.974 20 30 CFEDHN CCN1CC[C@H](N(C)c2snc(Cl)c2C#N)C[C@@H]1C ZINC000771223663 627586036 /nfs/dbraw/zinc/58/60/36/627586036.db2.gz NQBPEKFVWXMCTA-UWVGGRQHSA-N 0 3 298.843 2.977 20 30 CFEDHN Cc1ccccc1[C@H](O)CNCc1ccc(C#N)cc1F ZINC000772928380 627759722 /nfs/dbraw/zinc/75/97/22/627759722.db2.gz NRGORTOSNZGFRS-QGZVFWFLSA-N 0 3 284.334 2.829 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)CC[C@H](C)SC ZINC000773764389 627857001 /nfs/dbraw/zinc/85/70/01/627857001.db2.gz QCSGYFYSZCYPDB-NWDGAFQWSA-N 0 3 284.425 2.533 20 30 CFEDHN CCOCCON=C(C)c1ccc(N(C)CC)cc1 ZINC000774414792 627922533 /nfs/dbraw/zinc/92/25/33/627922533.db2.gz KEDYKHVYWPKKBZ-UHFFFAOYSA-N 0 3 264.369 2.920 20 30 CFEDHN C#CCOCCN(CCc1ccccc1)Cc1cccnc1 ZINC000851985327 634616073 /nfs/dbraw/zinc/61/60/73/634616073.db2.gz VLXNMEVUENZQKW-UHFFFAOYSA-N 0 3 294.398 2.776 20 30 CFEDHN C#C[C@@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775183018 627996808 /nfs/dbraw/zinc/99/68/08/627996808.db2.gz FYMQCSNEXNAEHB-SNVBAGLBSA-N 0 3 282.181 2.917 20 30 CFEDHN C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000775183018 627996810 /nfs/dbraw/zinc/99/68/10/627996810.db2.gz FYMQCSNEXNAEHB-SNVBAGLBSA-N 0 3 282.181 2.917 20 30 CFEDHN C=C(C)[C@@H](N[C@@H](C)CCO)c1ccc(F)c(F)c1 ZINC000775558715 628037019 /nfs/dbraw/zinc/03/70/19/628037019.db2.gz QOMLNFZVXPRBJA-IINYFYTJSA-N 0 3 255.308 2.943 20 30 CFEDHN C#C[C@H](NC1CC(c2cccc(F)c2)C1)[C@H]1CCCO1 ZINC000775571136 628038526 /nfs/dbraw/zinc/03/85/26/628038526.db2.gz ASKCREHOSKOHKI-MHVXSEJMSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1CCCO1 ZINC000775571952 628040076 /nfs/dbraw/zinc/04/00/76/628040076.db2.gz NDBXXRBOODVLST-ZRQNBYAXSA-N 0 3 289.350 2.850 20 30 CFEDHN C#C[C@H](N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000775574035 628041646 /nfs/dbraw/zinc/04/16/46/628041646.db2.gz NISGJHALMBVGQW-XOKHGSTOSA-N 0 3 272.392 2.584 20 30 CFEDHN C#CCCN1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000775835807 628074228 /nfs/dbraw/zinc/07/42/28/628074228.db2.gz ARPLTNKUNSLMBO-ILXRZTDVSA-N 0 3 277.408 2.985 20 30 CFEDHN C#CCOCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000852019577 634628860 /nfs/dbraw/zinc/62/88/60/634628860.db2.gz ZXJUSWRONLBWEJ-LBPRGKRZSA-N 0 3 275.314 2.691 20 30 CFEDHN CNC(=O)c1ccc(CN(CCC(C)(C)C#N)C2CC2)cc1 ZINC000776575240 628159656 /nfs/dbraw/zinc/15/96/56/628159656.db2.gz PEDYMWFISHRJOF-UHFFFAOYSA-N 0 3 299.418 2.950 20 30 CFEDHN C#CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776587689 628162052 /nfs/dbraw/zinc/16/20/52/628162052.db2.gz YWXRFQXIITXIES-MRXNPFEDSA-N 0 3 288.347 2.506 20 30 CFEDHN CCC#C[C@@H](C)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777737267 628249914 /nfs/dbraw/zinc/24/99/14/628249914.db2.gz VSOSGQZCMHDBAB-CJNGLKHVSA-N 0 3 261.340 2.521 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCCOCC ZINC000778151300 628280580 /nfs/dbraw/zinc/28/05/80/628280580.db2.gz LWLPTKJRWVJPPY-UHFFFAOYSA-N 0 3 281.783 2.868 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCC[C@H](C)CO ZINC000778171170 628283165 /nfs/dbraw/zinc/28/31/65/628283165.db2.gz BQERAQCBMHWNMO-ZDUSSCGKSA-N 0 3 295.810 2.850 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H](CCO)C(C)C ZINC000778173322 628283688 /nfs/dbraw/zinc/28/36/88/628283688.db2.gz SNRHOTQBBWHWOV-OAHLLOKOSA-N 0 3 295.810 2.849 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCCCF ZINC000778173485 628283799 /nfs/dbraw/zinc/28/37/99/628283799.db2.gz KSGRCWRUFXINQE-UHFFFAOYSA-N 0 3 255.720 2.801 20 30 CFEDHN CC[C@@H](C(=O)C(C#N)c1nc(C)cs1)N(CC)CC ZINC000778595464 628318751 /nfs/dbraw/zinc/31/87/51/628318751.db2.gz OXZFCGFUOSNYFN-NEPJUHHUSA-N 0 3 279.409 2.748 20 30 CFEDHN C#C[C@@](C)(CC)NCC(=O)N[C@@H](C)CCCC(C)C ZINC000852096362 634650002 /nfs/dbraw/zinc/65/00/02/634650002.db2.gz AQAPSJMHJXJZOK-HOCLYGCPSA-N 0 3 266.429 2.709 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000852098515 634651884 /nfs/dbraw/zinc/65/18/84/634651884.db2.gz PABXNXHDLZAVAB-RVKKMQEKSA-N 0 3 286.419 2.686 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccccc1Cl ZINC000852097943 634651913 /nfs/dbraw/zinc/65/19/13/634651913.db2.gz ARSXXAZRSZUYNX-WBMJQRKESA-N 0 3 292.810 2.736 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000852098774 634653303 /nfs/dbraw/zinc/65/33/03/634653303.db2.gz VSGQRHUKTUFFJS-CXAGYDPISA-N 0 3 290.382 2.564 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000852099349 634653430 /nfs/dbraw/zinc/65/34/30/634653430.db2.gz KHYUYLNSGHFZKU-YJBOKZPZSA-N 0 3 286.419 2.733 20 30 CFEDHN CC[C@H](C#N)Oc1cccc(CNC2CSC2)c1 ZINC000780875740 628501244 /nfs/dbraw/zinc/50/12/44/628501244.db2.gz BFCCARPQAAGDCL-CYBMUJFWSA-N 0 3 262.378 2.573 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CC(C)C)c1ccccc1 ZINC000783536252 628718616 /nfs/dbraw/zinc/71/86/16/628718616.db2.gz JTIAEQCWASYHKB-INIZCTEOSA-N 0 3 295.448 2.964 20 30 CFEDHN C#CCN(CC#C)CCCCCOc1ccccc1 ZINC000783569335 628721165 /nfs/dbraw/zinc/72/11/65/628721165.db2.gz DWCZBJMHMPEMIE-UHFFFAOYSA-N 0 3 255.361 2.804 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805763227 628828471 /nfs/dbraw/zinc/82/84/71/628828471.db2.gz RNGNXEMJYVNJCC-CQSZACIVSA-N 0 3 268.401 2.895 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CCCC[C@H](C)CC ZINC000784832118 628844464 /nfs/dbraw/zinc/84/44/64/628844464.db2.gz ZSMWGWJWSBZUHO-OLZOCXBDSA-N 0 3 264.369 2.604 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785998298 628929825 /nfs/dbraw/zinc/92/98/25/628929825.db2.gz CBNJWOWIBVSXHK-OLZOCXBDSA-N 0 3 268.401 2.940 20 30 CFEDHN N#CC(C(=O)[C@@H]1CCCOCC1)c1nc2ccccc2[nH]1 ZINC000786273975 628946048 /nfs/dbraw/zinc/94/60/48/628946048.db2.gz CNJHYKWFXYJMKA-NEPJUHHUSA-N 0 3 283.331 2.556 20 30 CFEDHN CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786551656 628968292 /nfs/dbraw/zinc/96/82/92/628968292.db2.gz ZSNVBTJHKPDJJK-AWEZNQCLSA-N 0 3 272.348 2.510 20 30 CFEDHN CC(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070585 628991488 /nfs/dbraw/zinc/99/14/88/628991488.db2.gz YBEIJUCUSYFECN-XHSDSOJGSA-N 0 3 298.386 2.646 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)C1CCCCC1 ZINC000787074809 628991581 /nfs/dbraw/zinc/99/15/81/628991581.db2.gz YGKDVWBLXPRYSU-INIZCTEOSA-N 0 3 298.386 2.934 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000788538914 629080048 /nfs/dbraw/zinc/08/00/48/629080048.db2.gz OXQBYUVTIUUXOS-SJORKVTESA-N 0 3 284.359 2.999 20 30 CFEDHN CN(CCCCCO)Cc1cc(Cl)ccc1OCC#N ZINC000789341085 629148139 /nfs/dbraw/zinc/14/81/39/629148139.db2.gz RKLOINHCNXHGAV-UHFFFAOYSA-N 0 3 296.798 2.837 20 30 CFEDHN C=C(C)CCN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789520946 629163680 /nfs/dbraw/zinc/16/36/80/629163680.db2.gz KBNDDDWZEXLFSR-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN Cc1ccccc1[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000852319458 634719883 /nfs/dbraw/zinc/71/98/83/634719883.db2.gz NGKKXIDQSVNQSE-GOEBONIOSA-N 0 3 258.365 2.654 20 30 CFEDHN C[C@@H]1C[C@H](C)N1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000791573876 629335245 /nfs/dbraw/zinc/33/52/45/629335245.db2.gz JOARRGAGVHBURA-TUAOUCFPSA-N 0 3 299.399 2.955 20 30 CFEDHN C=CCN(CCOc1cccc(F)c1)[C@H](C)COC ZINC000852357486 634732203 /nfs/dbraw/zinc/73/22/03/634732203.db2.gz DKDMFCAUTJQQGX-CYBMUJFWSA-N 0 3 267.344 2.727 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(F)c(F)c1)[C@H](C)COC ZINC000852357621 634732741 /nfs/dbraw/zinc/73/27/41/634732741.db2.gz FEVGYLDWWSXAHK-IAQYHMDHSA-N 0 3 285.334 2.521 20 30 CFEDHN Cc1ccc2c(c1)CCN(C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000792313723 629420216 /nfs/dbraw/zinc/42/02/16/629420216.db2.gz ZCALUMKGSOTALD-IBGZPJMESA-N 0 3 292.382 2.958 20 30 CFEDHN C[C@]12CCN(Cc3ccnc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000792910239 629464624 /nfs/dbraw/zinc/46/46/24/629464624.db2.gz ZJJANGHNWYOKOV-OLZOCXBDSA-N 0 3 296.201 2.969 20 30 CFEDHN C#C[C@H](C)N(C)Cc1cccc(I)c1 ZINC000793594249 629576796 /nfs/dbraw/zinc/57/67/96/629576796.db2.gz XEKRFHRIPIGHSK-JTQLQIEISA-N 0 3 299.155 2.745 20 30 CFEDHN N#CC(C(=O)CCC(F)F)c1nc2ccccc2[nH]1 ZINC000796617238 629941970 /nfs/dbraw/zinc/94/19/70/629941970.db2.gz AKPFTMDWBMJGRC-QMMMGPOBSA-N 0 3 263.247 2.784 20 30 CFEDHN N#CC1(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000852565996 634781703 /nfs/dbraw/zinc/78/17/03/634781703.db2.gz LAYPPSNMZSMAQE-UKRRQHHQSA-N 0 3 255.365 2.686 20 30 CFEDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCC1(C#N)CC1 ZINC000797604714 630087092 /nfs/dbraw/zinc/08/70/92/630087092.db2.gz BRHYGTPGUVXGCQ-NEPJUHHUSA-N 0 3 281.400 2.572 20 30 CFEDHN Cc1ccc(C(=O)OCCN2CCCCC2)cc1C#N ZINC000799551127 630320582 /nfs/dbraw/zinc/32/05/82/630320582.db2.gz QHLDJTHJGDUWBK-UHFFFAOYSA-N 0 3 272.348 2.509 20 30 CFEDHN CCCC[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000800384490 630376172 /nfs/dbraw/zinc/37/61/72/630376172.db2.gz DFKHHVNYVGUTPK-UKRRQHHQSA-N 0 3 286.375 2.838 20 30 CFEDHN C#CCCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000800501165 630393557 /nfs/dbraw/zinc/39/35/57/630393557.db2.gz YPNRXJGTDWUUTL-OAHLLOKOSA-N 0 3 272.392 2.551 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(N2CCCCC2)c(C)c1 ZINC000852714438 634811230 /nfs/dbraw/zinc/81/12/30/634811230.db2.gz PMKJFCBJZUGQND-MRXNPFEDSA-N 0 3 274.408 2.622 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000801578153 630460314 /nfs/dbraw/zinc/46/03/14/630460314.db2.gz FLMBEOFBNNBQTE-AEFFLSMTSA-N 0 3 271.404 2.814 20 30 CFEDHN CC(C)(C#N)CCCOC(=O)C1CCN(C2CC2)CC1 ZINC000801872541 630483054 /nfs/dbraw/zinc/48/30/54/630483054.db2.gz XZAPDMYPCPUTJV-UHFFFAOYSA-N 0 3 278.396 2.734 20 30 CFEDHN C[C@@H](C#N)OCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000801914416 630486182 /nfs/dbraw/zinc/48/61/82/630486182.db2.gz BYUPTRHSMPIINM-RDJZCZTQSA-N 0 3 288.391 2.596 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000801926772 630489938 /nfs/dbraw/zinc/48/99/38/630489938.db2.gz ZPAMWPANZXGQJT-MCIONIFRSA-N 0 3 262.353 2.981 20 30 CFEDHN C[C@@H](C#N)OCCN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000801926771 630490084 /nfs/dbraw/zinc/49/00/84/630490084.db2.gz ZPAMWPANZXGQJT-HZSPNIEDSA-N 0 3 262.353 2.981 20 30 CFEDHN Cc1cccc(NC2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801932872 630490741 /nfs/dbraw/zinc/49/07/41/630490741.db2.gz ADXOKNVEPSBHPI-HNNXBMFYSA-N 0 3 287.407 2.800 20 30 CFEDHN C[C@H](C#N)OCCNC1(c2ccc(Cl)cc2)CC1 ZINC000801937036 630491563 /nfs/dbraw/zinc/49/15/63/630491563.db2.gz CANNGJGRFBTRNM-LLVKDONJSA-N 0 3 264.756 2.847 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000801950386 630494165 /nfs/dbraw/zinc/49/41/65/630494165.db2.gz VMCOWRHQABDXLH-GHMZBOCLSA-N 0 3 278.318 2.825 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC(F)(c2ccccc2)CC1 ZINC000801952191 630494259 /nfs/dbraw/zinc/49/42/59/630494259.db2.gz PNKGYDYYGCTAIO-AWEZNQCLSA-N 0 3 276.355 2.876 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(F)(c2ccccc2)CC1 ZINC000801952192 630495280 /nfs/dbraw/zinc/49/52/80/630495280.db2.gz PNKGYDYYGCTAIO-CQSZACIVSA-N 0 3 276.355 2.876 20 30 CFEDHN CC(C)C#CC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000854843043 635406184 /nfs/dbraw/zinc/40/61/84/635406184.db2.gz RJSKTTMACMANDP-QGZVFWFLSA-N 0 3 298.430 2.626 20 30 CFEDHN C1C[C@@H](NN=C2CCCC[C@@H]2N2CCCCC2)CS1 ZINC000808000584 630936604 /nfs/dbraw/zinc/93/66/04/630936604.db2.gz QQGYDLCOJMUBOZ-HIFRSBDPSA-N 0 3 281.469 2.866 20 30 CFEDHN C#Cc1ccc(CNCc2cc(OC)cc(OC)c2)cc1 ZINC000809607170 631244742 /nfs/dbraw/zinc/24/47/42/631244742.db2.gz RADCVPDEMXJUQQ-UHFFFAOYSA-N 0 3 281.355 2.975 20 30 CFEDHN C#C[C@@H](C)NCc1sc2nc(C)nc(C)c2c1C ZINC000809683633 631260539 /nfs/dbraw/zinc/26/05/39/631260539.db2.gz IADMNXPXNDIEOJ-MRVPVSSYSA-N 0 3 259.378 2.728 20 30 CFEDHN C#C[C@@H](C)NCc1ccc(OCCCC)c(OC)c1 ZINC000809683817 631261261 /nfs/dbraw/zinc/26/12/61/631261261.db2.gz QJZHAPHKXISASA-CYBMUJFWSA-N 0 3 261.365 2.985 20 30 CFEDHN C#C[C@@H](CC)NCc1c[nH]nc1-c1cccc(OC)c1 ZINC000809686194 631262370 /nfs/dbraw/zinc/26/23/70/631262370.db2.gz ZXXXJAMEOCBJBB-AWEZNQCLSA-N 0 3 269.348 2.587 20 30 CFEDHN CCOc1cc(CNCCCC#N)ccc1OC(=O)CC ZINC000840936414 631268672 /nfs/dbraw/zinc/26/86/72/631268672.db2.gz IOTNUYTUGIIZQH-UHFFFAOYSA-N 0 3 290.363 2.794 20 30 CFEDHN N#Cc1ccc(CNCC[C@H](O)c2ccccc2)c(F)c1 ZINC000809747855 631279382 /nfs/dbraw/zinc/27/93/82/631279382.db2.gz WGYVJIYVLLOZFE-KRWDZBQOSA-N 0 3 284.334 2.911 20 30 CFEDHN C#CCOc1ccccc1CN(C)C1CC(OCC)C1 ZINC000809774642 631286361 /nfs/dbraw/zinc/28/63/61/631286361.db2.gz VSZJPEFZPULMEL-UHFFFAOYSA-N 0 3 273.376 2.698 20 30 CFEDHN CN(C)C1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CCC1 ZINC000841465148 631409811 /nfs/dbraw/zinc/40/98/11/631409811.db2.gz AMHPWJWCERWUMU-INIZCTEOSA-N 0 3 297.402 2.536 20 30 CFEDHN CC(=CN=NC1=NCCN1)Cc1cccc(C(F)(F)F)c1 ZINC000841658993 631446200 /nfs/dbraw/zinc/44/62/00/631446200.db2.gz GZRYIHYNLBPZHU-VWOSPTJUSA-N 0 3 296.296 2.643 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C/C=NN1CCC[C@H]1CO ZINC000841661224 631446458 /nfs/dbraw/zinc/44/64/58/631446458.db2.gz LMIXOFUBJKFARJ-YGAXGUPCSA-N 0 3 299.418 2.740 20 30 CFEDHN N#CC1(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)CCC1 ZINC000841898054 631490003 /nfs/dbraw/zinc/49/00/03/631490003.db2.gz KIYKNSMTWFYHEF-GRYCIOLGSA-N 0 3 268.451 2.649 20 30 CFEDHN C[C@@H](c1cccnc1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153492 631555216 /nfs/dbraw/zinc/55/52/16/631555216.db2.gz NWUUHGUWFYIUBU-GUYCJALGSA-N 0 3 281.359 2.680 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811496450 631571906 /nfs/dbraw/zinc/57/19/06/631571906.db2.gz XHLPAAWXIHZGCK-ZIAGYGMSSA-N 0 3 282.428 2.879 20 30 CFEDHN CCO[C@H]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000155427268 650020691 /nfs/dbraw/zinc/02/06/91/650020691.db2.gz KRNBJHNIIYDFKS-YOEHRIQHSA-N 0 3 288.391 2.978 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CC(C3CC3)C2)cc1 ZINC000812775054 631771118 /nfs/dbraw/zinc/77/11/18/631771118.db2.gz DQYOUPOIRJVMNV-GFCCVEGCSA-N 0 3 256.349 2.819 20 30 CFEDHN C=C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813114545 631846608 /nfs/dbraw/zinc/84/66/08/631846608.db2.gz SQECXMMRVFWIRR-NEPJUHHUSA-N 0 3 263.293 2.555 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000843423311 631952276 /nfs/dbraw/zinc/95/22/76/631952276.db2.gz CFCQMPJDUYAYKP-CYBMUJFWSA-N 0 3 287.359 2.659 20 30 CFEDHN C#CC1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000843426652 631954549 /nfs/dbraw/zinc/95/45/49/631954549.db2.gz FJNDMEZUKIOBCS-UHFFFAOYSA-N 0 3 269.392 2.527 20 30 CFEDHN C#CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000843426701 631954619 /nfs/dbraw/zinc/95/46/19/631954619.db2.gz HDQNGJALWVJAAN-FNORWQNLSA-N 0 3 270.332 2.953 20 30 CFEDHN C#CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000843426814 631954760 /nfs/dbraw/zinc/95/47/60/631954760.db2.gz KXTBPKPCCKTZQW-UHFFFAOYSA-N 0 3 297.377 2.916 20 30 CFEDHN C#CC1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000843428267 631955493 /nfs/dbraw/zinc/95/54/93/631955493.db2.gz FGHCWOSNVCYWDT-UHFFFAOYSA-N 0 3 259.349 2.549 20 30 CFEDHN C#CC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000843429243 631956498 /nfs/dbraw/zinc/95/64/98/631956498.db2.gz YBXLSZSCLQZSLC-UHFFFAOYSA-N 0 3 271.389 2.983 20 30 CFEDHN C#CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000843708401 632035378 /nfs/dbraw/zinc/03/53/78/632035378.db2.gz ZPCAXGPHEZTFMQ-SFHVURJKSA-N 0 3 296.414 2.523 20 30 CFEDHN COCc1ccccc1/C=C(/C)C=Nn1c(C)nnc1C ZINC000814214831 632039605 /nfs/dbraw/zinc/03/96/05/632039605.db2.gz GNEWEFDRPABOMV-JDYMHBPESA-N 0 3 284.363 2.979 20 30 CFEDHN CC(Cc1c(Cl)cccc1Cl)=NNC1=N[C@H](C)CN1 ZINC000814898189 632153898 /nfs/dbraw/zinc/15/38/98/632153898.db2.gz RKDJSWCWUSMRNI-SECBINFHSA-N 0 3 299.205 2.849 20 30 CFEDHN C=CCC(F)(F)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000815096884 632200147 /nfs/dbraw/zinc/20/01/47/632200147.db2.gz JQFPMWABABIWPQ-GFCCVEGCSA-N 0 3 288.382 2.825 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1cccc2ccccc21)[C@H]1CCCO1 ZINC000815093662 632200343 /nfs/dbraw/zinc/20/03/43/632200343.db2.gz PVOFFSVBRDGHQV-GBESFXJTSA-N 0 3 295.382 2.644 20 30 CFEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)[C@H]1C ZINC000815163522 632221304 /nfs/dbraw/zinc/22/13/04/632221304.db2.gz RXZPMWOWPQJTAC-WOPDTQHZSA-N 0 3 299.399 2.813 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000845443906 632436129 /nfs/dbraw/zinc/43/61/29/632436129.db2.gz WJGZSTOJBKXXPR-GXFFZTMASA-N 0 3 292.766 2.677 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000816653043 632504768 /nfs/dbraw/zinc/50/47/68/632504768.db2.gz CVNWEXVPUOSWIR-QLFBSQMISA-N 0 3 287.407 2.502 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845729545 632536505 /nfs/dbraw/zinc/53/65/05/632536505.db2.gz ATCYQDPQSNWMSZ-CJNGLKHVSA-N 0 3 283.412 2.631 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1cccc(CC#N)c1 ZINC000845735428 632541714 /nfs/dbraw/zinc/54/17/14/632541714.db2.gz MSRDBLZNONVKKN-OAHLLOKOSA-N 0 3 286.375 2.782 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845735210 632542189 /nfs/dbraw/zinc/54/21/89/632542189.db2.gz VJEVSCIKUWTXAX-AWEZNQCLSA-N 0 3 286.375 2.896 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1cccc(C#N)c1 ZINC000845741693 632547200 /nfs/dbraw/zinc/54/72/00/632547200.db2.gz WFYVJTBFPCOWMX-CQSZACIVSA-N 0 3 272.348 2.588 20 30 CFEDHN CC([C@H](OC(=O)CCCC#N)c1ccccc1F)[N+](=O)[O-] ZINC000845876277 632589329 /nfs/dbraw/zinc/58/93/29/632589329.db2.gz BSDNXQNPJRWGEE-YGRLFVJLSA-N 0 3 294.282 2.769 20 30 CFEDHN CC1(C)OCC[C@H]1NN=C1CCCCc2ccc(N)cc21 ZINC000817329477 632604308 /nfs/dbraw/zinc/60/43/08/632604308.db2.gz AIVYHZINXRJHIK-MRXNPFEDSA-N 0 3 287.407 2.856 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccncc1Cl ZINC000817580296 632669661 /nfs/dbraw/zinc/66/96/61/632669661.db2.gz HUXUTNOGCFQMJP-JTQLQIEISA-N 0 3 254.786 2.752 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N(C)C[C@@H]1CCCN1C ZINC000817676290 632684061 /nfs/dbraw/zinc/68/40/61/632684061.db2.gz CWGQSWHNQKEQJZ-GJZGRUSLSA-N 0 3 297.443 2.510 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CC1(F)F ZINC000817729830 632695604 /nfs/dbraw/zinc/69/56/04/632695604.db2.gz BWLIDRAKDBBLGX-YMTOWFKASA-N 0 3 287.269 2.851 20 30 CFEDHN C=C1CCN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CC1 ZINC000846684897 632773941 /nfs/dbraw/zinc/77/39/41/632773941.db2.gz XIHRRQPGQSPUQX-ZDUSSCGKSA-N 0 3 293.798 2.612 20 30 CFEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCCCC#N)C1 ZINC000846865474 632825997 /nfs/dbraw/zinc/82/59/97/632825997.db2.gz LZLIRRCRDAIXCI-HNNXBMFYSA-N 0 3 285.391 2.590 20 30 CFEDHN CCCCCCCN1CCN(c2ncc[nH]2)CC1 ZINC000846878029 632828927 /nfs/dbraw/zinc/82/89/27/632828927.db2.gz QFWVWMGVHXOSAN-UHFFFAOYSA-N 0 3 250.390 2.502 20 30 CFEDHN C=C(Br)CN1CCN(C)C2(CCCCC2)C1 ZINC000846946825 632855665 /nfs/dbraw/zinc/85/56/65/632855665.db2.gz MEKPBLWCHMKNJS-UHFFFAOYSA-N 0 3 287.245 2.845 20 30 CFEDHN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000847021880 632886622 /nfs/dbraw/zinc/88/66/22/632886622.db2.gz CNEIGUMRWXDVLV-DLBZAZTESA-N 0 3 298.430 2.687 20 30 CFEDHN C=C(Br)CN[C@H](CC)[C@@H]1CCCCO1 ZINC000847074609 632911969 /nfs/dbraw/zinc/91/19/69/632911969.db2.gz AVFRRTDLCZRJAF-MNOVXSKESA-N 0 3 262.191 2.832 20 30 CFEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CCCc3occc32)cc1 ZINC000818947832 632913180 /nfs/dbraw/zinc/91/31/80/632913180.db2.gz SGAZWARZXUVMRH-HOTGVXAUSA-N 0 3 282.343 2.852 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OCCC(C)(C)C#N)c1 ZINC000847902432 633138572 /nfs/dbraw/zinc/13/85/72/633138572.db2.gz USLQNSHVHKRZMC-UHFFFAOYSA-N 0 3 274.364 2.845 20 30 CFEDHN C#CCCCC(=O)Nc1cnccc1NC(CC)CC ZINC000848109007 633204399 /nfs/dbraw/zinc/20/43/99/633204399.db2.gz YVRRWDBYIVKIBH-UHFFFAOYSA-N 0 3 273.380 2.846 20 30 CFEDHN C=CCCCC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000848301556 633236608 /nfs/dbraw/zinc/23/66/08/633236608.db2.gz IZDOTIOUVSSXCX-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN Cc1cc(C)nc(N=NC2CCCN3CCCC[C@@H]23)n1 ZINC000848399916 633248773 /nfs/dbraw/zinc/24/87/73/633248773.db2.gz WCKSANHFRANIAD-AWEZNQCLSA-N 0 3 273.384 2.510 20 30 CFEDHN Cc1cc(N=NC2CCCN3CCCC[C@H]23)nc(C)n1 ZINC000848402971 633249843 /nfs/dbraw/zinc/24/98/43/633249843.db2.gz KWLOBBTXYQOUDH-CQSZACIVSA-N 0 3 273.384 2.510 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000848924600 633407358 /nfs/dbraw/zinc/40/73/58/633407358.db2.gz WRMBNTTZKSLPGK-HNNXBMFYSA-N 0 3 271.408 2.771 20 30 CFEDHN C#C[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000848924748 633407454 /nfs/dbraw/zinc/40/74/54/633407454.db2.gz ZGBLBQASDPYNGS-NSHDSACASA-N 0 3 279.767 2.899 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000848924747 633407607 /nfs/dbraw/zinc/40/76/07/633407607.db2.gz ZGBLBQASDPYNGS-LLVKDONJSA-N 0 3 279.767 2.899 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000848924633 633408025 /nfs/dbraw/zinc/40/80/25/633408025.db2.gz XBKMDYGYZBKPSA-LBPRGKRZSA-N 0 3 255.321 2.515 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=S)NC1CCN(C)CC1 ZINC000849269290 633599931 /nfs/dbraw/zinc/59/99/31/633599931.db2.gz WTJLWHITJVSNAH-DZGCQCFKSA-N 0 3 295.496 2.680 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)CCCCC)nn1 ZINC000850005673 633788691 /nfs/dbraw/zinc/78/86/91/633788691.db2.gz HEPPTBGTMHWRPU-ZDUSSCGKSA-N 0 3 250.390 2.913 20 30 CFEDHN CCc1cc(CNCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000850137194 633852091 /nfs/dbraw/zinc/85/20/91/633852091.db2.gz LVOZHLDJYVXIDZ-UHFFFAOYSA-N 0 3 280.375 2.817 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nn(CC)nc1C ZINC000850343008 633947011 /nfs/dbraw/zinc/94/70/11/633947011.db2.gz XRBCLOPACCQHTL-UONOGXRCSA-N 0 3 262.401 2.831 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H](CC)COCC1CC1 ZINC000850349298 633949426 /nfs/dbraw/zinc/94/94/26/633949426.db2.gz FCPADDDWBSABKT-KRWDZBQOSA-N 0 3 287.403 2.993 20 30 CFEDHN N#CC(C(=O)C1CC2(C1)CCCCC2)C(=O)N1CCCC1 ZINC000850752459 634079440 /nfs/dbraw/zinc/07/94/40/634079440.db2.gz OJBDSOFJPWIVMA-CQSZACIVSA-N 0 3 288.391 2.678 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)[C@H](C)CC#N)c1ccccc1 ZINC000850978576 634162893 /nfs/dbraw/zinc/16/28/93/634162893.db2.gz VYNFTBUOIXMWLZ-SNPRPXQTSA-N 0 3 297.358 2.513 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\CCOCCF)c([O-])c1 ZINC000852999075 634871429 /nfs/dbraw/zinc/87/14/29/634871429.db2.gz VMIGBAWDBXLWKY-ATVHPVEESA-N 0 3 282.359 2.643 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@]2(C)OC)c([O-])c1 ZINC000852998809 634871542 /nfs/dbraw/zinc/87/15/42/634871542.db2.gz RQFWXXZZGRGDKF-QIESAVBPSA-N 0 3 276.380 2.835 20 30 CFEDHN C#CCCCOc1cccnc1N[C@@H]1CCN(C2CC2)C1 ZINC000853232041 634947193 /nfs/dbraw/zinc/94/71/93/634947193.db2.gz QIBJWZCHSXWARQ-CQSZACIVSA-N 0 3 285.391 2.522 20 30 CFEDHN OC1CCN(c2ccc(C=NNC3CCCC3)cc2)CC1 ZINC000853302058 634963012 /nfs/dbraw/zinc/96/30/12/634963012.db2.gz VYJWYCXUEDGBPJ-UHFFFAOYSA-N 0 3 287.407 2.514 20 30 CFEDHN C=CC1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000111259987 634983510 /nfs/dbraw/zinc/98/35/10/634983510.db2.gz CFHVYPMOYBRHKY-OAHLLOKOSA-N 0 3 267.319 2.896 20 30 CFEDHN COc1cc(O)c(CN2CCC[C@@H](CC#N)C2)cc1OC ZINC000853524742 635027274 /nfs/dbraw/zinc/02/72/74/635027274.db2.gz OZJHWHMSTCCCIE-LBPRGKRZSA-N 0 3 290.363 2.535 20 30 CFEDHN C#C[C@H](CC)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000854073217 635204752 /nfs/dbraw/zinc/20/47/52/635204752.db2.gz SKVRBYYIPOJUQW-MRXNPFEDSA-N 0 3 293.455 2.552 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)C#CC(C)C ZINC000854577334 635341014 /nfs/dbraw/zinc/34/10/14/635341014.db2.gz DYGLCBXGULVWCF-UHFFFAOYSA-N 0 3 273.380 2.702 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000113312317 635531705 /nfs/dbraw/zinc/53/17/05/635531705.db2.gz DVDGMHKUCHWRCL-UHFFFAOYSA-N 0 3 295.338 2.717 20 30 CFEDHN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(CCCC#N)C2 ZINC000856813512 635867524 /nfs/dbraw/zinc/86/75/24/635867524.db2.gz HZSLWWHWGUHWFT-CJNGLKHVSA-N 0 3 293.411 2.669 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC[C@@H]1CC1(Cl)Cl ZINC000857239065 635955392 /nfs/dbraw/zinc/95/53/92/635955392.db2.gz NBTBLLRNNARYPG-VHSXEESVSA-N 0 3 260.168 2.603 20 30 CFEDHN C#CCSCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000857906559 636059706 /nfs/dbraw/zinc/05/97/06/636059706.db2.gz ZEWOQRKOCFPFHO-NSHDSACASA-N 0 3 266.797 2.678 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN([C@H]3CC[C@H](C#N)C3)C2)nc1 ZINC000858039712 636117992 /nfs/dbraw/zinc/11/79/92/636117992.db2.gz HHJSYAKEEHMYJA-SOUVJXGZSA-N 0 3 271.364 2.535 20 30 CFEDHN C=C(C)CN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858043065 636118174 /nfs/dbraw/zinc/11/81/74/636118174.db2.gz JFDSNKCXZRKKEE-OAHLLOKOSA-N 0 3 258.365 2.988 20 30 CFEDHN C#CC[C@@H](COC)NCc1cccc(SCC)c1 ZINC000858335605 636195784 /nfs/dbraw/zinc/19/57/84/636195784.db2.gz ZXSWTTWFZCQKOP-AWEZNQCLSA-N 0 3 263.406 2.927 20 30 CFEDHN C#CC[C@H](COC)NCc1cc2ccccc2cc1OC ZINC000858335358 636196047 /nfs/dbraw/zinc/19/60/47/636196047.db2.gz XWLUSFTVPAGBLK-QGZVFWFLSA-N 0 3 283.371 2.976 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(OC(F)F)c(F)c1 ZINC000858334983 636196259 /nfs/dbraw/zinc/19/62/59/636196259.db2.gz JTTQZWHEVZLSHN-NSHDSACASA-N 0 3 287.281 2.555 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](c1cccc(C)c1)C(C)C ZINC000858403299 636222792 /nfs/dbraw/zinc/22/27/92/636222792.db2.gz AHODBBNANVWIFC-INIZCTEOSA-N 0 3 295.448 2.883 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(Oc2cccc(F)c2)CC1 ZINC000859396607 636556907 /nfs/dbraw/zinc/55/69/07/636556907.db2.gz HKZBONZWVLGEDK-CYBMUJFWSA-N 0 3 292.354 2.598 20 30 CFEDHN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C)C1(F)F ZINC000859412343 636559548 /nfs/dbraw/zinc/55/95/48/636559548.db2.gz SHCUCSZZCAQAAJ-LALPHHSUSA-N 0 3 294.345 2.815 20 30 CFEDHN C=CCN1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000860033722 636765491 /nfs/dbraw/zinc/76/54/91/636765491.db2.gz GUHIFLMBZLXIAS-IYBDPMFKSA-N 0 3 280.412 2.751 20 30 CFEDHN COc1cccc([C@H](O)C2CCN(CCCC#N)CC2)c1 ZINC000860134194 636796579 /nfs/dbraw/zinc/79/65/79/636796579.db2.gz VGZDKZVJPWOBRW-QGZVFWFLSA-N 0 3 288.391 2.744 20 30 CFEDHN Cc1ccc2occ(CC(=O)C(C#N)C(=O)NC(C)C)c2c1 ZINC000860472358 636892111 /nfs/dbraw/zinc/89/21/11/636892111.db2.gz IJBXRVZDAADMEY-AWEZNQCLSA-N 0 3 298.342 2.517 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015687692 651209119 /nfs/dbraw/zinc/20/91/19/651209119.db2.gz RNCLHIFZPRHTQH-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C#C[C@H](NCc1ccc(OC)c(OC2CC2)c1)C(C)C ZINC000862363320 637335576 /nfs/dbraw/zinc/33/55/76/637335576.db2.gz MKABIYLBNYJQJZ-HNNXBMFYSA-N 0 3 273.376 2.984 20 30 CFEDHN C#C[C@H](NCc1ccc(Cl)c(OC)c1)C1CCOCC1 ZINC000862419888 637372128 /nfs/dbraw/zinc/37/21/28/637372128.db2.gz UAHGKVPSUPIHLI-HNNXBMFYSA-N 0 3 293.794 2.867 20 30 CFEDHN C#CC[C@H](COC)NCc1ccc(C#N)cc1C(F)(F)F ZINC000862549774 637421860 /nfs/dbraw/zinc/42/18/60/637421860.db2.gz DYMJQAMYLCNECJ-CYBMUJFWSA-N 0 3 296.292 2.705 20 30 CFEDHN Cn1ccnc1NN=C1c2ccccc2CC[C@@H]1F ZINC000863109546 637558722 /nfs/dbraw/zinc/55/87/22/637558722.db2.gz RZIWDCYWWPQPGC-LBPRGKRZSA-N 0 3 258.300 2.521 20 30 CFEDHN Cc1cc(NN=C2CCc3c2cccc3C)ccn1 ZINC000863158512 637572853 /nfs/dbraw/zinc/57/28/53/637572853.db2.gz DVAFTZJYBMVHCB-UHFFFAOYSA-N 0 3 251.333 2.883 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016172085 651226957 /nfs/dbraw/zinc/22/69/57/651226957.db2.gz SZXKHDNHAUVGEN-SNVBAGLBSA-N 0 3 284.812 2.782 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(OC)c(C(C)(C)C)c1 ZINC000865633223 638476345 /nfs/dbraw/zinc/47/63/45/638476345.db2.gz ZBUKXUNVNRQFQT-CYBMUJFWSA-N 0 3 263.381 2.629 20 30 CFEDHN C=CCCC(C)(C)CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000865678778 638507447 /nfs/dbraw/zinc/50/74/47/638507447.db2.gz GBGKYUUHXVJEAB-OAHLLOKOSA-N 0 3 292.427 2.539 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)[C@]23C[C@H]2CCCC3)nn1 ZINC000865703838 638525896 /nfs/dbraw/zinc/52/58/96/638525896.db2.gz MKHCWYNPBZCRMX-FMKPAKJESA-N 0 3 274.412 2.913 20 30 CFEDHN CS[C@H]1C[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000865734287 638542781 /nfs/dbraw/zinc/54/27/81/638542781.db2.gz REZRWCDZWQQHEH-HAQNSBGRSA-N 0 3 250.342 2.681 20 30 CFEDHN C=C(Br)CN[C@H](C)CCc1cccnc1 ZINC000866259376 638782472 /nfs/dbraw/zinc/78/24/72/638782472.db2.gz ARCOZLISKKAUKP-LLVKDONJSA-N 0 3 269.186 2.901 20 30 CFEDHN C=C(Br)CN[C@@H](C)CCc1cccnc1 ZINC000866259378 638782519 /nfs/dbraw/zinc/78/25/19/638782519.db2.gz ARCOZLISKKAUKP-NSHDSACASA-N 0 3 269.186 2.901 20 30 CFEDHN N#Cc1ccc(CCN2CCOc3cc(N)ccc3C2)cc1 ZINC000866686603 638865501 /nfs/dbraw/zinc/86/55/01/638865501.db2.gz IPPIKZBYYWKWMK-UHFFFAOYSA-N 0 3 293.370 2.578 20 30 CFEDHN C[C@@H](NC(=O)c1coc(C#N)c1)[C@H](c1ccccc1)N(C)C ZINC000867469862 638879753 /nfs/dbraw/zinc/87/97/53/638879753.db2.gz IIKVEVRCRKAKPP-MLGOLLRUSA-N 0 3 297.358 2.572 20 30 CFEDHN CN(Cc1ccc2cc[nH]c2c1)C(=O)[C@@H](N)CCCCC#N ZINC000868048703 638918408 /nfs/dbraw/zinc/91/84/08/638918408.db2.gz XIPDGRMCNAWCRJ-HNNXBMFYSA-N 0 3 298.390 2.538 20 30 CFEDHN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1ccccn1 ZINC000870136667 639527694 /nfs/dbraw/zinc/52/76/94/639527694.db2.gz QQNVHIRDZZMFMV-HNNXBMFYSA-N 0 3 294.358 2.958 20 30 CFEDHN C#CCCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000191886142 650527415 /nfs/dbraw/zinc/52/74/15/650527415.db2.gz OCJNWDVGMIUYDX-AWEZNQCLSA-N 0 3 290.432 2.805 20 30 CFEDHN C=CCN(CC=C)Cc1ccccc1CC(=O)OC ZINC000123548309 641263179 /nfs/dbraw/zinc/26/31/79/641263179.db2.gz IIDTXNRYSXLKMU-UHFFFAOYSA-N 0 3 259.349 2.576 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871886543 641502028 /nfs/dbraw/zinc/50/20/28/641502028.db2.gz OGLPHUWKWVSMNB-XHSDSOJGSA-N 0 3 288.391 2.645 20 30 CFEDHN CC1(C)[C@H]2[C@H](CCCN2Cc2cccc(C#N)c2)[C@@H]1O ZINC000872257659 641721456 /nfs/dbraw/zinc/72/14/56/641721456.db2.gz UYIUXGHYZRNYJP-XHSDSOJGSA-N 0 3 270.376 2.540 20 30 CFEDHN C[C@H]1C(N=Nc2ccc(OC(F)F)cc2)CCN1C ZINC000872348774 641762720 /nfs/dbraw/zinc/76/27/20/641762720.db2.gz RKZXTBILZAUYGH-VIFPVBQESA-N 0 3 269.295 2.780 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@@H]1C[C@H]1C1CCOCC1 ZINC000873149818 642031669 /nfs/dbraw/zinc/03/16/69/642031669.db2.gz URQMZTGBFRWCGR-GJZGRUSLSA-N 0 3 288.366 2.850 20 30 CFEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCC=CCC1 ZINC000873496915 642223189 /nfs/dbraw/zinc/22/31/89/642223189.db2.gz FPSMYPBFJZYREY-OAHLLOKOSA-N 0 3 288.391 2.891 20 30 CFEDHN C#CCC1(C(=O)N2CC[C@H]3[C@H]2CCCN3C)CCCCC1 ZINC000874830789 642514073 /nfs/dbraw/zinc/51/40/73/642514073.db2.gz UENBOGJHJWBDLU-JKSUJKDBSA-N 0 3 288.435 2.655 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N(CC)[C@@H]1CCN(C)C1 ZINC000876321954 642824785 /nfs/dbraw/zinc/82/47/85/642824785.db2.gz BEFWJNQFPAAYOB-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC(C)C)CC(C)C ZINC000876543014 642912573 /nfs/dbraw/zinc/91/25/73/642912573.db2.gz CPGBWRHXKSSDIV-LBPRGKRZSA-N 0 3 260.809 2.597 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)c(F)c1 ZINC000876547260 642915571 /nfs/dbraw/zinc/91/55/71/642915571.db2.gz NCYXIYXFSUUIOM-NSHDSACASA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000876550040 642917496 /nfs/dbraw/zinc/91/74/96/642917496.db2.gz NDGJFWOOOGWORT-JTQLQIEISA-N 0 3 290.697 2.696 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000876549425 642917663 /nfs/dbraw/zinc/91/76/63/642917663.db2.gz PBBMJZMVAPKDTD-CYBMUJFWSA-N 0 3 278.783 2.974 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(C(C)C)cc1 ZINC000876558778 642921296 /nfs/dbraw/zinc/92/12/96/642921296.db2.gz SCSDEZHOEIUIFE-OAHLLOKOSA-N 0 3 294.826 2.939 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000876559608 642921943 /nfs/dbraw/zinc/92/19/43/642921943.db2.gz BLOMPBSTWJSREH-LSDHHAIUSA-N 0 3 292.810 2.992 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000876564780 642925425 /nfs/dbraw/zinc/92/54/25/642925425.db2.gz CZUOYZDVVKHLSM-KGLIPLIRSA-N 0 3 280.799 2.970 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000876571142 642928077 /nfs/dbraw/zinc/92/80/77/642928077.db2.gz HAOAYTMJIVAWLQ-KBPBESRZSA-N 0 3 296.773 2.959 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C1CCCCC1 ZINC000876575459 642930456 /nfs/dbraw/zinc/93/04/56/642930456.db2.gz FSFVAKBXZPVIKV-ZYHUDNBSSA-N 0 3 258.793 2.541 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000876579384 642932124 /nfs/dbraw/zinc/93/21/24/642932124.db2.gz QNIMNXMCZFTLFO-NSHDSACASA-N 0 3 291.153 2.565 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000876591912 642937140 /nfs/dbraw/zinc/93/71/40/642937140.db2.gz CLPDMHFOEXUDGY-HUUCEWRRSA-N 0 3 292.810 2.548 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)Cc1ccccc1C ZINC000876592528 642937292 /nfs/dbraw/zinc/93/72/92/642937292.db2.gz SYFHHDGFXVLQMR-AWEZNQCLSA-N 0 3 280.799 2.813 20 30 CFEDHN C=CCN(Cc1cc(C(=O)OC)c(C)[nH]1)C(C)C ZINC000876600324 642940958 /nfs/dbraw/zinc/94/09/58/642940958.db2.gz PDRVMLRVYNOVMB-UHFFFAOYSA-N 0 3 250.342 2.506 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)CCc1ccccc1 ZINC000876605930 642942119 /nfs/dbraw/zinc/94/21/19/642942119.db2.gz YJWZQESTSDLIMD-AWEZNQCLSA-N 0 3 280.799 2.548 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)Cc1ccc(OC)cc1 ZINC000876607464 642942835 /nfs/dbraw/zinc/94/28/35/642942835.db2.gz NKMCGDUERITYCX-CQSZACIVSA-N 0 3 296.798 2.514 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000876617593 642947403 /nfs/dbraw/zinc/94/74/03/642947403.db2.gz DDJNAACMFAMMQH-ZIAGYGMSSA-N 0 3 294.782 2.526 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H](CCC)Cc1ccccc1 ZINC000876643830 642956285 /nfs/dbraw/zinc/95/62/85/642956285.db2.gz OBPIXNQUMITDTH-GJZGRUSLSA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1CCC ZINC000876644302 642956339 /nfs/dbraw/zinc/95/63/39/642956339.db2.gz BZSYPXBOUSZKJC-RWMBFGLXSA-N 0 3 272.820 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)CCc1ccccc1 ZINC000876643926 642956686 /nfs/dbraw/zinc/95/66/86/642956686.db2.gz QPALDMMPLIDWLZ-AWEZNQCLSA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(CC)c1ccccc1 ZINC000876653732 642959590 /nfs/dbraw/zinc/95/95/90/642959590.db2.gz VBFIOGWKVDMBSH-UKRRQHHQSA-N 0 3 280.799 2.898 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000876658796 642961860 /nfs/dbraw/zinc/96/18/60/642961860.db2.gz GOYKGTPPMACHKP-GFCCVEGCSA-N 0 3 299.201 2.915 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000876673967 642967632 /nfs/dbraw/zinc/96/76/32/642967632.db2.gz WNSCPZWLLUWKDR-RISCZKNCSA-N 0 3 280.799 2.685 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000876688640 642974020 /nfs/dbraw/zinc/97/40/20/642974020.db2.gz UINRUGYEDCSQTR-CHWSQXEVSA-N 0 3 272.820 2.741 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000876691049 642975663 /nfs/dbraw/zinc/97/56/63/642975663.db2.gz YNYROHKHZDSNMN-APPZFPTMSA-N 0 3 286.725 2.550 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCC(C(C)C)CC1 ZINC000876692584 642976726 /nfs/dbraw/zinc/97/67/26/642976726.db2.gz CNFOGGHINVEJAZ-BPCQOVAHSA-N 0 3 272.820 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(CC)CCCC1 ZINC000876693496 642977057 /nfs/dbraw/zinc/97/70/57/642977057.db2.gz WLHWMVXPYNTQBE-LLVKDONJSA-N 0 3 258.793 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](CCC)CCCC ZINC000876697397 642978266 /nfs/dbraw/zinc/97/82/66/642978266.db2.gz CXVRHEGCIKLHFY-NEPJUHHUSA-N 0 3 260.809 2.931 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H](SCC)C1 ZINC000876701800 642980052 /nfs/dbraw/zinc/98/00/52/642980052.db2.gz YCWSIHDHIZTNLZ-SRVKXCTJSA-N 0 3 290.860 2.637 20 30 CFEDHN CC(C)OCCCN(C)Cc1cc(C#N)ccc1N(C)C ZINC000876752147 642994258 /nfs/dbraw/zinc/99/42/58/642994258.db2.gz HYYMCQWGVRVQAN-UHFFFAOYSA-N 0 3 289.423 2.871 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(N(C)C(C)C)c1 ZINC000876760152 642998800 /nfs/dbraw/zinc/99/88/00/642998800.db2.gz SXDIMDVZADWJSA-CQSZACIVSA-N 0 3 295.814 2.940 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000876884041 643050810 /nfs/dbraw/zinc/05/08/10/643050810.db2.gz FTXOMBNKMCKVRR-CQSZACIVSA-N 0 3 290.794 2.530 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2ccccc2Cl)CC1 ZINC000876934242 643070554 /nfs/dbraw/zinc/07/05/54/643070554.db2.gz FJYZMGRDKIVCIZ-LBPRGKRZSA-N 0 3 299.201 2.915 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000876949192 643076331 /nfs/dbraw/zinc/07/63/31/643076331.db2.gz UJIUSLTUGIQZLS-XHDPSFHLSA-N 0 3 292.810 2.645 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)Cc1ccc(F)cc1C ZINC000876959231 643081738 /nfs/dbraw/zinc/08/17/38/643081738.db2.gz QMFBYWKGHUJVHX-BXUZGUMPSA-N 0 3 298.789 2.651 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCC(CC)(CC)C1 ZINC000876969537 643087201 /nfs/dbraw/zinc/08/72/01/643087201.db2.gz RURDPLZMWIUGLJ-GFCCVEGCSA-N 0 3 272.820 2.885 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000876971121 643087952 /nfs/dbraw/zinc/08/79/52/643087952.db2.gz MAKNQWLKBBGJBD-CYZMBNFOSA-N 0 3 299.201 2.782 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1[C@H](CC)CCC[C@@H]1C ZINC000876976714 643090236 /nfs/dbraw/zinc/09/02/36/643090236.db2.gz RIISDJHJTVQAJT-TUAOUCFPSA-N 0 3 258.793 2.636 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@]1(c2ccccc2)CC1(C)C ZINC000876980128 643090974 /nfs/dbraw/zinc/09/09/74/643090974.db2.gz XLTDJKOSKHSGFA-XJKSGUPXSA-N 0 3 292.810 2.898 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC000876984485 643092349 /nfs/dbraw/zinc/09/23/49/643092349.db2.gz HODNBVSMDQJOAT-JSGCOSHPSA-N 0 3 293.798 2.523 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)CC(F)(F)F ZINC000876983611 643092416 /nfs/dbraw/zinc/09/24/16/643092416.db2.gz ZUSUIMMEKXHTQT-MRVPVSSYSA-N 0 3 286.725 2.551 20 30 CFEDHN CCCCCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000876987607 643094326 /nfs/dbraw/zinc/09/43/26/643094326.db2.gz CDYCKIGBWFMLAT-GRDNDAEWSA-N 0 3 296.455 2.606 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)cnc2Cl)[C@H]2CCO[C@@H]21 ZINC000877058604 643126114 /nfs/dbraw/zinc/12/61/14/643126114.db2.gz CYLQRSYQBOHVCD-UPJWGTAASA-N 0 3 291.782 2.510 20 30 CFEDHN Cc1ncc(CCNCc2cc(C#N)cnc2Cl)s1 ZINC000877115594 643159043 /nfs/dbraw/zinc/15/90/43/643159043.db2.gz PKSSKJFGIWNFIF-UHFFFAOYSA-N 0 3 292.795 2.704 20 30 CFEDHN C[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H]1CCCOC1 ZINC000877182793 643193332 /nfs/dbraw/zinc/19/33/32/643193332.db2.gz SHIZTHMQTYQEKP-ZYHUDNBSSA-N 0 3 279.771 2.511 20 30 CFEDHN N#CC(C(=O)CCSc1ccccn1)c1ccccn1 ZINC000088803692 650820458 /nfs/dbraw/zinc/82/04/58/650820458.db2.gz XUYFNRBNLAIUDH-LBPRGKRZSA-N 0 3 283.356 2.835 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000877229175 643208650 /nfs/dbraw/zinc/20/86/50/643208650.db2.gz IRNSELCUTUHJAJ-LLVKDONJSA-N 0 3 285.269 2.723 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000877303652 643225976 /nfs/dbraw/zinc/22/59/76/643225976.db2.gz LJHKSFCXZSABEE-DYVFJYSZSA-N 0 3 296.455 2.628 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)[C@]1(N)C[C@H](OCC)C1(C)C ZINC000877303654 643226409 /nfs/dbraw/zinc/22/64/09/643226409.db2.gz LJHKSFCXZSABEE-SUMWQHHRSA-N 0 3 296.455 2.628 20 30 CFEDHN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCCS2)c1 ZINC000877303715 643226639 /nfs/dbraw/zinc/22/66/39/643226639.db2.gz FYXCSIQQSFRCPP-LBPRGKRZSA-N 0 3 281.812 2.982 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)c1ccc(F)c(C)c1 ZINC000877453553 643276781 /nfs/dbraw/zinc/27/67/81/643276781.db2.gz BJEAHCUMVJWCKP-CYBMUJFWSA-N 0 3 284.762 2.957 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCCC[C@@H]2CCOC2)c1 ZINC000877574103 643372716 /nfs/dbraw/zinc/37/27/16/643372716.db2.gz YWGHSFJJMFAHKC-LLVKDONJSA-N 0 3 279.771 2.513 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2cccc(CC3CCC3)c2)C1 ZINC000877606155 643393181 /nfs/dbraw/zinc/39/31/81/643393181.db2.gz QZGKGPZYCSSYOU-SFHVURJKSA-N 0 3 284.403 2.880 20 30 CFEDHN C[C@H]1SCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877608568 643395816 /nfs/dbraw/zinc/39/58/16/643395816.db2.gz UMKFAXRTLTYOFQ-KCJUWKMLSA-N 0 3 267.785 2.590 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CC2(F)F)c1 ZINC000877648093 643429395 /nfs/dbraw/zinc/42/93/95/643429395.db2.gz VOMRCLDQHMOFME-JTQLQIEISA-N 0 3 271.698 2.742 20 30 CFEDHN C#CCCCCCCNCc1c(Br)cnn1C ZINC000877673467 643447227 /nfs/dbraw/zinc/44/72/27/643447227.db2.gz GCACBHAHSHRFIH-UHFFFAOYSA-N 0 3 298.228 2.856 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@@H](CO)c2ccc(Cl)cc2)C1 ZINC000877700035 643463257 /nfs/dbraw/zinc/46/32/57/643463257.db2.gz YTDWLINBNKJZIJ-GDLCADMTSA-N 0 3 264.756 2.655 20 30 CFEDHN COCc1ccc(CN(C)CCc2cccc(C#N)c2)o1 ZINC000877703851 643468907 /nfs/dbraw/zinc/46/89/07/643468907.db2.gz FPOQZFZEQRWLPA-UHFFFAOYSA-N 0 3 284.359 2.972 20 30 CFEDHN CSC1(CN2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000877745331 643525434 /nfs/dbraw/zinc/52/54/34/643525434.db2.gz QLOUHAYMHVZIFF-UHFFFAOYSA-N 0 3 287.432 2.576 20 30 CFEDHN C=CCN(CC=C)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000877957916 643663242 /nfs/dbraw/zinc/66/32/42/643663242.db2.gz GUFYDEWHXRTVKE-HNNXBMFYSA-N 0 3 265.397 2.636 20 30 CFEDHN C=CC[C@@H](C)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000878131648 643751689 /nfs/dbraw/zinc/75/16/89/643751689.db2.gz WKJKZVHYDPHBHO-HUUCEWRRSA-N 0 3 259.397 2.725 20 30 CFEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)CC1(CC#N)CC1 ZINC000878244337 643806056 /nfs/dbraw/zinc/80/60/56/643806056.db2.gz NUOTUKNYRMXFLL-GFCCVEGCSA-N 0 3 281.400 2.525 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CC2CC3(CCC3)C2)CC1 ZINC000878310741 643833036 /nfs/dbraw/zinc/83/30/36/643833036.db2.gz QDOWZLYUUHOHMF-INIZCTEOSA-N 0 3 275.440 2.732 20 30 CFEDHN C#C[C@H](NC[C@@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCCO1 ZINC000878454421 643901223 /nfs/dbraw/zinc/90/12/23/643901223.db2.gz XGDHLOGXUIWNSX-WNRNVDISSA-N 0 3 285.387 2.677 20 30 CFEDHN C#CCCCCCN(CCOC)Cc1c(C)nn(C)c1C ZINC000878698567 643995586 /nfs/dbraw/zinc/99/55/86/643995586.db2.gz SLJBJKLBMJPFKR-UHFFFAOYSA-N 0 3 291.439 2.679 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000878751441 644013907 /nfs/dbraw/zinc/01/39/07/644013907.db2.gz XYQWRXRWBJJLFX-PKOBYXMFSA-N 0 3 298.430 2.731 20 30 CFEDHN C=CCN(C[C@@H]1CCC2(CCC2)O1)[C@@H](C)COC ZINC000878890104 644063245 /nfs/dbraw/zinc/06/32/45/644063245.db2.gz TYRVCPCCMHFLOM-KBPBESRZSA-N 0 3 253.386 2.611 20 30 CFEDHN N#CCC1(CN2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000879037445 644121672 /nfs/dbraw/zinc/12/16/72/644121672.db2.gz ZIPLLSZFUYBCRT-QGZVFWFLSA-N 0 3 270.376 2.664 20 30 CFEDHN CCCCCCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247391747 650906608 /nfs/dbraw/zinc/90/66/08/650906608.db2.gz QLZUXZKCNQJABD-HUUCEWRRSA-N 0 3 255.402 2.837 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528865 644306801 /nfs/dbraw/zinc/30/68/01/644306801.db2.gz DPZIQVVJIYTJAO-BMFZPTHFSA-N 0 3 295.386 2.783 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]3CSC[C@H]3C2)ccc1F ZINC000879558236 644319175 /nfs/dbraw/zinc/31/91/75/644319175.db2.gz HZYKTYQLCQISOL-GXTWGEPZSA-N 0 3 276.380 2.882 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879566184 644326468 /nfs/dbraw/zinc/32/64/68/644326468.db2.gz STKOOQRSDRLEPP-HOTGVXAUSA-N 0 3 257.402 2.723 20 30 CFEDHN C[C@H]([NH2+]CCCSCC#N)c1ccccc1[O-] ZINC000879651227 644364771 /nfs/dbraw/zinc/36/47/71/644364771.db2.gz NRUUHBFPXDXCBN-NSHDSACASA-N 0 3 250.367 2.690 20 30 CFEDHN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CC=CCC2)c1 ZINC000092142938 650915195 /nfs/dbraw/zinc/91/51/95/650915195.db2.gz LHPKKFLLPIESJI-INIZCTEOSA-N 0 3 282.387 2.895 20 30 CFEDHN Cc1noc(C)c1[C@@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000092332383 650918430 /nfs/dbraw/zinc/91/84/30/650918430.db2.gz GXEXNOMBSKVVNB-MEBBXXQBSA-N 0 3 285.347 2.547 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000879995934 644485719 /nfs/dbraw/zinc/48/57/19/644485719.db2.gz KANMYYOEJCUGMS-XPKDYRNWSA-N 0 3 274.339 2.971 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995348 644486560 /nfs/dbraw/zinc/48/65/60/644486560.db2.gz CXUSVKGXMVYQGA-DOMZBBRYSA-N 0 3 262.328 2.971 20 30 CFEDHN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CC[C@H](C#N)C1 ZINC000880079740 644524624 /nfs/dbraw/zinc/52/46/24/644524624.db2.gz JLCHQNZGXSANEG-NUEKZKHPSA-N 0 3 299.374 2.636 20 30 CFEDHN COCC1(N(C)CC#Cc2ccc(F)cc2)CCC1 ZINC000880186143 644569416 /nfs/dbraw/zinc/56/94/16/644569416.db2.gz RNJNYCSGMLLKIG-UHFFFAOYSA-N 0 3 261.340 2.678 20 30 CFEDHN C=C(C)CN1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000880272374 644622601 /nfs/dbraw/zinc/62/26/01/644622601.db2.gz RFZYWUJSDYCUON-UHFFFAOYSA-N 0 3 294.420 2.760 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@]1(C)c1ccccc1 ZINC000880372644 644675303 /nfs/dbraw/zinc/67/53/03/644675303.db2.gz ZFBMODAWURGGSG-SFHVURJKSA-N 0 3 299.418 2.760 20 30 CFEDHN CC(C)(C)OCCCN1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000880415443 644697995 /nfs/dbraw/zinc/69/79/95/644697995.db2.gz NMSQVPGVYMOYHX-JKSUJKDBSA-N 0 3 293.455 2.501 20 30 CFEDHN C#CCC1(O)CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000880478803 644729543 /nfs/dbraw/zinc/72/95/43/644729543.db2.gz GKAXDTOBTLNWHG-UHFFFAOYSA-N 0 3 295.329 2.638 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(SC(F)F)cc1 ZINC000883157138 645630610 /nfs/dbraw/zinc/63/06/10/645630610.db2.gz OGAUBMMKVHTUDX-GFCCVEGCSA-N 0 3 285.359 2.865 20 30 CFEDHN C=CCC1(NCc2nc(C(C)C)c[nH]2)CCOCC1 ZINC000883169885 645637328 /nfs/dbraw/zinc/63/73/28/645637328.db2.gz GINXNMCFEHFXJB-UHFFFAOYSA-N 0 3 263.385 2.748 20 30 CFEDHN C=CCC[C@H](Cc1ccccc1)NCc1nnnn1C1CC1 ZINC000883204592 645662842 /nfs/dbraw/zinc/66/28/42/645662842.db2.gz DRZJFJAJNIVAKG-OAHLLOKOSA-N 0 3 297.406 2.675 20 30 CFEDHN C=CCC[C@H](NCc1cnccc1OC)[C@@H]1CCCO1 ZINC000883224599 645675118 /nfs/dbraw/zinc/67/51/18/645675118.db2.gz OUPOCTLDRYRIGV-HOCLYGCPSA-N 0 3 276.380 2.694 20 30 CFEDHN C=CCC[C@H](Cc1ccccc1)NCc1cn(CC)nn1 ZINC000883234722 645683847 /nfs/dbraw/zinc/68/38/47/645683847.db2.gz LGEJVKQHXWEHBE-MRXNPFEDSA-N 0 3 284.407 2.965 20 30 CFEDHN C=CCCn1cc(CNCC[C@H](C)CCC)nn1 ZINC000883250527 645698705 /nfs/dbraw/zinc/69/87/05/645698705.db2.gz CHCAXXATPBMOIX-CYBMUJFWSA-N 0 3 250.390 2.770 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000883389040 645786734 /nfs/dbraw/zinc/78/67/34/645786734.db2.gz IZVWANQNOZSMFC-STQMWFEESA-N 0 3 279.380 2.682 20 30 CFEDHN C=C(C)C[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F 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Cc1cc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCC2)on1 ZINC000885958825 646783873 /nfs/dbraw/zinc/78/38/73/646783873.db2.gz MEVIDYSIJMMXNR-ZIAGYGMSSA-N 0 3 289.379 2.565 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)c1cccc(C)c1 ZINC000136480686 646810722 /nfs/dbraw/zinc/81/07/22/646810722.db2.gz XHPUXUSCNQAXPE-GOSISDBHSA-N 0 3 295.382 2.830 20 30 CFEDHN CC(C)CCN(CCC#N)C[C@@H]1C[C@@]12CCOC2 ZINC000886030909 646830257 /nfs/dbraw/zinc/83/02/57/646830257.db2.gz XJPIOVNAXGNZKZ-LSDHHAIUSA-N 0 3 250.386 2.675 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccncc2)CCC1 ZINC000886090478 646862265 /nfs/dbraw/zinc/86/22/65/646862265.db2.gz ZCFSHKQZSXCGIO-HOTGVXAUSA-N 0 3 285.391 2.663 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000886353827 646983441 /nfs/dbraw/zinc/98/34/41/646983441.db2.gz QSECHELDNCRTQP-JKSUJKDBSA-N 0 3 284.403 2.976 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000886356007 646984626 /nfs/dbraw/zinc/98/46/26/646984626.db2.gz ROUROFZWQOUTOW-LSDHHAIUSA-N 0 3 284.403 2.921 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000886545508 647041775 /nfs/dbraw/zinc/04/17/75/647041775.db2.gz MZHOSQMDXGSRFC-CRAIPNDOSA-N 0 3 299.418 2.832 20 30 CFEDHN Clc1cccc(C#CCN2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000886568393 647049458 /nfs/dbraw/zinc/04/94/58/647049458.db2.gz IWBAPHPCLIYAIH-OKILXGFUSA-N 0 3 277.820 2.986 20 30 CFEDHN C#CCN(C(=O)c1ccc(C2CC2)cc1)C1CCN(C)CC1 ZINC000886573322 647051761 /nfs/dbraw/zinc/05/17/61/647051761.db2.gz FDSCUZCDCBKHBA-UHFFFAOYSA-N 0 3 296.414 2.734 20 30 CFEDHN C#CCN(C(=O)/C(C)=C/C(C)(C)C)C1CCN(C)CC1 ZINC000886577752 647053310 /nfs/dbraw/zinc/05/33/10/647053310.db2.gz WEFJRQRMOCZINH-BUHFOSPRSA-N 0 3 276.424 2.535 20 30 CFEDHN C#CCN(C(=O)[C@H](C)CC1CCCC1)C1CCN(C)CC1 ZINC000886581459 647054130 /nfs/dbraw/zinc/05/41/30/647054130.db2.gz XYOZJVHSECNQQD-OAHLLOKOSA-N 0 3 290.451 2.759 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(CSC)[n-]1 ZINC000886759960 647129477 /nfs/dbraw/zinc/12/94/77/647129477.db2.gz 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CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1sccc1C#N ZINC000931835499 649497868 /nfs/dbraw/zinc/49/78/68/649497868.db2.gz XUJPOWIQIGOFCY-LLVKDONJSA-N 0 3 292.408 2.614 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)Nc1sccc1C#N ZINC000931843641 649499437 /nfs/dbraw/zinc/49/94/37/649499437.db2.gz SIYJZLLDTGGFPR-UHFFFAOYSA-N 0 3 294.424 2.671 20 30 CFEDHN Cc1nc([C@@H]2CCN(Cc3c(C)cc(C#N)cc3C)C2)no1 ZINC000931936627 649515601 /nfs/dbraw/zinc/51/56/01/649515601.db2.gz QFZKQNMQSAHHIG-OAHLLOKOSA-N 0 3 296.374 2.856 20 30 CFEDHN Cc1nc([C@H]2CCN([C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000931936700 649515832 /nfs/dbraw/zinc/51/58/32/649515832.db2.gz FKCCMIUVPUBWAU-NHYWBVRUSA-N 0 3 282.347 2.800 20 30 CFEDHN Cc1nc([C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000931949166 649518195 /nfs/dbraw/zinc/51/81/95/649518195.db2.gz NWMIBCPYASEZCI-XHDPSFHLSA-N 0 3 282.347 2.800 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C ZINC000932062150 649530699 /nfs/dbraw/zinc/53/06/99/649530699.db2.gz XEDMHTHASKFBFN-AWEZNQCLSA-N 0 3 279.428 2.648 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CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001010513170 651177006 /nfs/dbraw/zinc/17/70/06/651177006.db2.gz QKNDFRBLCUMJDS-OAHLLOKOSA-N 0 3 262.397 2.644 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014442668 651186204 /nfs/dbraw/zinc/18/62/04/651186204.db2.gz WXZNIFLTGLPCTR-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001014863899 651192623 /nfs/dbraw/zinc/19/26/23/651192623.db2.gz OTKUSOZSGDVDNT-OAHLLOKOSA-N 0 3 298.430 2.812 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014922230 651194226 /nfs/dbraw/zinc/19/42/26/651194226.db2.gz ZRVUJIHKCQXYSX-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001015110793 651195494 /nfs/dbraw/zinc/19/54/94/651195494.db2.gz WPKSFRONXJXIPZ-AWEZNQCLSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001015122740 651195522 /nfs/dbraw/zinc/19/55/22/651195522.db2.gz CCTSCYLGPZPLCI-HNNXBMFYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015272057 651198774 /nfs/dbraw/zinc/19/87/74/651198774.db2.gz QUMULSQPHLBRBV-ROUUACIJSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001015373299 651199847 /nfs/dbraw/zinc/19/98/47/651199847.db2.gz PHBPTWHOKVMWKV-SFHVURJKSA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015391567 651200125 /nfs/dbraw/zinc/20/01/25/651200125.db2.gz JEGPMOPNMXBYQG-QWHCGFSZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015557226 651204676 /nfs/dbraw/zinc/20/46/76/651204676.db2.gz OHVFGMYIYLVDSQ-KBPBESRZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015593926 651205340 /nfs/dbraw/zinc/20/53/40/651205340.db2.gz HQNXKOYOSVFLPU-OAHLLOKOSA-N 0 3 289.423 2.758 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001015618847 651206395 /nfs/dbraw/zinc/20/63/95/651206395.db2.gz 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CO[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC000692967387 769938938 /nfs/dbraw/zinc/93/89/38/769938938.db2.gz UVKYQAKXRFBQOG-QGZVFWFLSA-N 0 3 257.377 2.833 20 30 CFEDHN C=C(Cl)CNC1CC(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001100436788 770169267 /nfs/dbraw/zinc/16/92/67/770169267.db2.gz KZYHFESXSBIPMB-LKSINWNRSA-N 0 3 284.831 2.660 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCCN2CC(=C)C)CCC1 ZINC001266480616 770197890 /nfs/dbraw/zinc/19/78/90/770197890.db2.gz UUKKFXVWVFMGCD-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001266570119 770355020 /nfs/dbraw/zinc/35/50/20/770355020.db2.gz ZVBYMOTZCXKQSK-JKSUJKDBSA-N 0 3 278.440 2.663 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001038234232 770832113 /nfs/dbraw/zinc/83/21/13/770832113.db2.gz FCQZCKDTYWUCIW-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC001088809695 778512384 /nfs/dbraw/zinc/51/23/84/778512384.db2.gz GQQICQQNEMQWPM-ZBFHGGJFSA-N 0 3 289.423 2.585 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001033651596 780743763 /nfs/dbraw/zinc/74/37/63/780743763.db2.gz VBEPYBDOBHCNHB-GOSISDBHSA-N 0 3 298.430 2.898 20 30 CFEDHN C=C(C)CNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001163374276 781454387 /nfs/dbraw/zinc/45/43/87/781454387.db2.gz OFGBJTXZQSKKGD-UHFFFAOYSA-N 0 3 276.384 2.513 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033947673 780834960 /nfs/dbraw/zinc/83/49/60/780834960.db2.gz UAJJTJHKAXWYMP-BZUAXINKSA-N 0 3 278.440 2.922 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)Cn1c(C)cc2ccccc21 ZINC001266295817 769921898 /nfs/dbraw/zinc/92/18/98/769921898.db2.gz ZHDZEQNFWVQLHI-UHFFFAOYSA-N 0 3 299.418 2.574 20 30 CFEDHN C=CCCCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001266301794 769936967 /nfs/dbraw/zinc/93/69/67/769936967.db2.gz CKGCZFZYKRCNOX-LLVKDONJSA-N 0 3 282.771 2.703 20 30 CFEDHN C=C(Br)CNC[C@H](OC)C1CCCC1 ZINC000692967111 769938372 /nfs/dbraw/zinc/93/83/72/769938372.db2.gz SRSDNAWNLUWQMW-NSHDSACASA-N 0 3 262.191 2.690 20 30 CFEDHN CC#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001266335910 769976912 /nfs/dbraw/zinc/97/69/12/769976912.db2.gz HALIMKMXTUEBHX-SFHVURJKSA-N 0 3 298.430 2.879 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc(C)nc2ccccc21 ZINC001266356424 770012569 /nfs/dbraw/zinc/01/25/69/770012569.db2.gz CVQIRFFHUKNMJL-UHFFFAOYSA-N 0 3 297.402 2.781 20 30 CFEDHN C#CCCCN1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001209265529 770028131 /nfs/dbraw/zinc/02/81/31/770028131.db2.gz ADLRFTXMTLCBGQ-ZDUSSCGKSA-N 0 3 265.303 2.831 20 30 CFEDHN C=CCN1CCC(N(CCC)C(=O)[C@H](F)CC)CC1 ZINC001266388924 770062854 /nfs/dbraw/zinc/06/28/54/770062854.db2.gz WOPVTZDZPVUSKQ-CQSZACIVSA-N 0 3 270.392 2.624 20 30 CFEDHN C=CCCCCCCCCN(C)CC(=O)N1CCOCC1 ZINC001209442253 770093814 /nfs/dbraw/zinc/09/38/14/770093814.db2.gz CTLFDWBVVRXPSX-UHFFFAOYSA-N 0 3 296.455 2.694 20 30 CFEDHN C=CCCCCCCCN1Cc2ccnn2CC[C@@H]1CO ZINC001209441850 770094124 /nfs/dbraw/zinc/09/41/24/770094124.db2.gz LDXKCSYKUISTSK-QGZVFWFLSA-N 0 3 291.439 2.976 20 30 CFEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001266481543 770199474 /nfs/dbraw/zinc/19/94/74/770199474.db2.gz VNDBOYBURZIKOZ-BMFZPTHFSA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001266492420 770205265 /nfs/dbraw/zinc/20/52/65/770205265.db2.gz OPJXMURMAILQSS-DOTOQJQBSA-N 0 3 286.419 2.947 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)C1CCC(F)(F)CC1 ZINC001167312267 770269303 /nfs/dbraw/zinc/26/93/03/770269303.db2.gz CZQFACNJMXUJIG-UHFFFAOYSA-N 0 3 294.773 2.660 20 30 CFEDHN C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001039196154 770300803 /nfs/dbraw/zinc/30/08/03/770300803.db2.gz SKJDBLCWSCYMFY-IRXDYDNUSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001266561656 770343386 /nfs/dbraw/zinc/34/33/86/770343386.db2.gz BLBOOEJGYUJLJK-HNNXBMFYSA-N 0 3 264.413 2.561 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)C(C)(C)C1CCC1 ZINC001266567022 770350111 /nfs/dbraw/zinc/35/01/11/770350111.db2.gz SVGWGDCTRYEILR-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)c1coc2ccccc12 ZINC001266578935 770370296 /nfs/dbraw/zinc/37/02/96/770370296.db2.gz CNYWAJJLQWTWSV-UHFFFAOYSA-N 0 3 298.386 2.898 20 30 CFEDHN C=C(C)CN(CCNC(=O)C1CC(C)(C)C1)C1CC1 ZINC001266590479 770390527 /nfs/dbraw/zinc/39/05/27/770390527.db2.gz KKPRWEGDPXLJKQ-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(CCNC(=O)c1cc(C)c(CC)s1)C1CC1 ZINC001266619248 770448078 /nfs/dbraw/zinc/44/80/78/770448078.db2.gz FYPRPFDADGRMAP-UHFFFAOYSA-N 0 3 292.448 2.999 20 30 CFEDHN CC[C@H](C#N)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398118133 770456894 /nfs/dbraw/zinc/45/68/94/770456894.db2.gz GJEQTPCWCBKBTG-NUEKZKHPSA-N 0 3 257.381 2.541 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC(C)C)C1 ZINC001266655843 770490442 /nfs/dbraw/zinc/49/04/42/770490442.db2.gz IGYUTNXESPKAMN-IAGOWNOFSA-N 0 3 290.451 2.759 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001266758479 770583173 /nfs/dbraw/zinc/58/31/73/770583173.db2.gz UGKUSVQENUWXNF-INIZCTEOSA-N 0 3 290.451 2.808 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001266765935 770593273 /nfs/dbraw/zinc/59/32/73/770593273.db2.gz BRKZBKHRZWNSKL-MRXNPFEDSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001022064194 770614086 /nfs/dbraw/zinc/61/40/86/770614086.db2.gz AFXIQNURFMARGD-QNWHQSFQSA-N 0 3 288.794 2.504 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001266853780 770676430 /nfs/dbraw/zinc/67/64/30/770676430.db2.gz SYXWTLBPODWRJK-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)NCc1cncc(C)c1 ZINC001266968747 770777592 /nfs/dbraw/zinc/77/75/92/770777592.db2.gz VAKFYECKLPUXPR-WMLDXEAASA-N 0 3 289.423 2.587 20 30 CFEDHN N#Cc1cncc(CN2CC[C@@H](C3CCCC3)C2)c1 ZINC000721499924 770800424 /nfs/dbraw/zinc/80/04/24/770800424.db2.gz JWTFVLFQNUJYNW-MRXNPFEDSA-N 0 3 255.365 2.965 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@H](NC/C=C\Cl)C2)CCC1 ZINC001267018698 770817131 /nfs/dbraw/zinc/81/71/31/770817131.db2.gz IFKYNYSSQOYGES-PRUHKGEBSA-N 0 3 282.815 2.676 20 30 CFEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)/C=C(\C)CC ZINC001267127961 770927830 /nfs/dbraw/zinc/92/78/30/770927830.db2.gz YTQKYYZPHDQSOU-OANVXVOSSA-N 0 3 258.793 2.580 20 30 CFEDHN C=CCN(C)CCNC(=O)c1c(Cl)oc2ccccc21 ZINC001267210427 773211957 /nfs/dbraw/zinc/21/19/57/773211957.db2.gz FJUSYBVXAVKMGC-UHFFFAOYSA-N 0 3 292.766 2.934 20 30 CFEDHN C=CCN(C)CCNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001267216737 773216892 /nfs/dbraw/zinc/21/68/92/773216892.db2.gz YYVMTZNCFXNELV-ZDUSSCGKSA-N 0 3 278.371 2.553 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)CCc1cc(F)ccc1F ZINC001267233646 773236446 /nfs/dbraw/zinc/23/64/46/773236446.db2.gz VTIGAXYMEWZGRC-UHFFFAOYSA-N 0 3 296.361 2.522 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1ccoc1C(C)C ZINC001267257509 775112422 /nfs/dbraw/zinc/11/24/22/775112422.db2.gz YCTQGHAZYWQJOE-UHFFFAOYSA-N 0 3 264.369 2.641 20 30 CFEDHN C=CCN1CC=C(CNC(=O)CCCC(C)C)CC1 ZINC001279644474 775200100 /nfs/dbraw/zinc/20/01/00/775200100.db2.gz OYOKBGTZQAXXPT-UHFFFAOYSA-N 0 3 264.413 2.747 20 30 CFEDHN C#CCN(CCC)CCNC(=O)C/C=C/c1ccc(C)cc1 ZINC001267320805 775201908 /nfs/dbraw/zinc/20/19/08/775201908.db2.gz WZYSHOLRGAXLIF-VOTSOKGWSA-N 0 3 298.430 2.860 20 30 CFEDHN C=CCN(CCNC(=O)CC(C)(C)C1CC1)C1CC1 ZINC001267326394 775206984 /nfs/dbraw/zinc/20/69/84/775206984.db2.gz NQKBZKLLNIIXRY-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(CCNC(=O)c1cc(F)cc(Cl)c1)C1CC1 ZINC001267332563 775214704 /nfs/dbraw/zinc/21/47/04/775214704.db2.gz GBKSVKONJKCVPA-UHFFFAOYSA-N 0 3 296.773 2.859 20 30 CFEDHN CN(CCNCc1cccc(C#N)c1)C(=O)/C=C/C(C)(C)C ZINC001267355372 775242108 /nfs/dbraw/zinc/24/21/08/775242108.db2.gz PGLJNGULHRPMFD-CMDGGOBGSA-N 0 3 299.418 2.709 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC001267356384 775243860 /nfs/dbraw/zinc/24/38/60/775243860.db2.gz DLBUMBNDGLXXEW-CVEARBPZSA-N 0 3 284.403 2.503 20 30 CFEDHN C=C(C)CN[C@@H](CNC(=O)/C(C)=C\C)c1ccccc1 ZINC001267357579 775244747 /nfs/dbraw/zinc/24/47/47/775244747.db2.gz PUIZKAPVVUZPQH-HSLRFEFHSA-N 0 3 272.392 2.976 20 30 CFEDHN COc1ccc(OC)c(C=NOCCN2CCCCC2)c1 ZINC000588596069 775248136 /nfs/dbraw/zinc/24/81/36/775248136.db2.gz XUFHWEUYYLZPKK-UHFFFAOYSA-N 0 3 292.379 2.540 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001224713113 775255262 /nfs/dbraw/zinc/25/52/62/775255262.db2.gz PJMSCJSGOOLYJL-KRWDZBQOSA-N 0 3 292.467 2.910 20 30 CFEDHN CN1CCCC[C@H]1CO[C@H](C#N)c1ccccc1F ZINC001224707806 775256087 /nfs/dbraw/zinc/25/60/87/775256087.db2.gz SZXQHZUSXAYCTO-SWLSCSKDSA-N 0 3 262.328 2.891 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](C)CC2CCCC2)CC1 ZINC001224739444 775263316 /nfs/dbraw/zinc/26/33/16/775263316.db2.gz NKQVRWHECAVIBJ-HNNXBMFYSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001224746203 775265120 /nfs/dbraw/zinc/26/51/20/775265120.db2.gz NSPZKSDBNGDOPA-HNNXBMFYSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)CCCF)C[C@H]1C ZINC001104505706 775269711 /nfs/dbraw/zinc/26/97/11/775269711.db2.gz YGDRFDRFTXSALB-DGCLKSJQSA-N 0 3 290.810 2.563 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C34CCC(CC3)C4)C[C@@H]21 ZINC001042116861 775282169 /nfs/dbraw/zinc/28/21/69/775282169.db2.gz ODBIXGOFXBMZTA-NDUQDZPOSA-N 0 3 288.435 2.676 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC ZINC001224861500 775292575 /nfs/dbraw/zinc/29/25/75/775292575.db2.gz UYIVDWVEHAGHFR-CYZMBNFOSA-N 0 3 272.820 2.802 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CCC)C(=O)C2=CCCC2)C1 ZINC001267454970 775333883 /nfs/dbraw/zinc/33/38/83/775333883.db2.gz TUIBNLLRFIBFFW-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001225142385 775355201 /nfs/dbraw/zinc/35/52/01/775355201.db2.gz KCGPMZJDCFPNEJ-INIZCTEOSA-N 0 3 292.467 2.910 20 30 CFEDHN N#Cc1cccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001225224013 775370464 /nfs/dbraw/zinc/37/04/64/775370464.db2.gz ZLAKLIPYJDNLHG-WKILWMFISA-N 0 3 286.375 2.580 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)CC[C@H]1CCc2ccccc21 ZINC000892490604 775387469 /nfs/dbraw/zinc/38/74/69/775387469.db2.gz VKCFRDWCMXQUGP-GDBMZVCRSA-N 0 3 296.370 2.508 20 30 CFEDHN C=CCN[C@H](CNC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC001267516150 775409592 /nfs/dbraw/zinc/40/95/92/775409592.db2.gz APORPHBSQSNVMC-XJKSGUPXSA-N 0 3 272.392 2.666 20 30 CFEDHN CCC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC001024832827 775433023 /nfs/dbraw/zinc/43/30/23/775433023.db2.gz NYCMXFFHGVIXJC-GFCCVEGCSA-N 0 3 291.420 2.500 20 30 CFEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267540141 775448159 /nfs/dbraw/zinc/44/81/59/775448159.db2.gz SQZXIHQGOIMNBR-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCCN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001267545792 775455217 /nfs/dbraw/zinc/45/52/17/775455217.db2.gz DUZWFFOVGFUWLE-HZPDHXFCSA-N 0 3 290.451 2.759 20 30 CFEDHN N#Cc1ccc(O[C@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC001225497403 775481938 /nfs/dbraw/zinc/48/19/38/775481938.db2.gz DYCQUXPDJGAOLD-SFHVURJKSA-N 0 3 293.370 2.997 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001225590575 775515265 /nfs/dbraw/zinc/51/52/65/775515265.db2.gz ABSMLHDFBUQIPQ-QGZVFWFLSA-N 0 3 292.467 2.910 20 30 CFEDHN Cc1cc(CC#N)ccc1-n1nc(CN)c2ccccc21 ZINC001167698449 775528283 /nfs/dbraw/zinc/52/82/83/775528283.db2.gz XPPBWEAIYNJISR-UHFFFAOYSA-N 0 3 276.343 2.859 20 30 CFEDHN C=CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001025190330 775560047 /nfs/dbraw/zinc/56/00/47/775560047.db2.gz AUDXHSFVZOYJCS-CABCVRRESA-N 0 3 288.391 2.925 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001025215201 775571939 /nfs/dbraw/zinc/57/19/39/775571939.db2.gz JNFDOJNSIPFZGF-SJORKVTESA-N 0 3 288.435 2.655 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025259552 775580806 /nfs/dbraw/zinc/58/08/06/775580806.db2.gz OMHLCZDLZRTYPL-JKSUJKDBSA-N 0 3 290.451 2.901 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025259405 775581442 /nfs/dbraw/zinc/58/14/42/775581442.db2.gz PIKHLACSBYUPBG-CVEARBPZSA-N 0 3 288.435 2.655 20 30 CFEDHN CC#CCN1CCC[C@H]([C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025329180 775606469 /nfs/dbraw/zinc/60/64/69/775606469.db2.gz NYNLSZPKLNPURO-WMZOPIPTSA-N 0 3 298.430 2.849 20 30 CFEDHN N#Cc1ccc(OC2CCN(C3CC3)CC2)c(F)c1F ZINC001226016906 775669085 /nfs/dbraw/zinc/66/90/85/775669085.db2.gz DLACSWSSTCIHDP-UHFFFAOYSA-N 0 3 278.302 2.842 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2ccc(C#N)cc2F)C1 ZINC001226049346 775679921 /nfs/dbraw/zinc/67/99/21/775679921.db2.gz OROUPHXHMLDAAS-ZDUSSCGKSA-N 0 3 262.328 2.949 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC001025544700 775695485 /nfs/dbraw/zinc/69/54/85/775695485.db2.gz ZBFQIBIKHPJWCS-QAPCUYQASA-N 0 3 296.414 2.793 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001075528937 775703372 /nfs/dbraw/zinc/70/33/72/775703372.db2.gz DPWSEYQZFLKIKL-JKSUJKDBSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC001025608967 775707645 /nfs/dbraw/zinc/70/76/45/775707645.db2.gz CLLKLPFBUWZOOB-YJBOKZPZSA-N 0 3 298.430 2.713 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001267626372 775712582 /nfs/dbraw/zinc/71/25/82/775712582.db2.gz SFMHZILWHUVSOC-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C#CCCCCC(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001267637525 775724648 /nfs/dbraw/zinc/72/46/48/775724648.db2.gz FEFMKKLWUIXUFJ-JOZWUWCOSA-N 0 3 296.842 2.713 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC(CCNCCC#N)CC1 ZINC000695253530 775746857 /nfs/dbraw/zinc/74/68/57/775746857.db2.gz QFVFAUQDWYUXRV-UHFFFAOYSA-N 0 3 281.400 2.527 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC(C)C)CCC1 ZINC001267712337 775797425 /nfs/dbraw/zinc/79/74/25/775797425.db2.gz PEYZFGRTRBUPBA-GJZGRUSLSA-N 0 3 276.424 2.674 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001267734380 775829559 /nfs/dbraw/zinc/82/95/59/775829559.db2.gz GKMPRWHTICHEKW-WMZOPIPTSA-N 0 3 296.414 2.560 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001267738671 775848891 /nfs/dbraw/zinc/84/88/91/775848891.db2.gz OOHAWTGSFLZCDX-QGZVFWFLSA-N 0 3 286.419 2.906 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)C[C@@H](C)CCC)CC1 ZINC001226512410 775855577 /nfs/dbraw/zinc/85/55/77/775855577.db2.gz YMIZUUKDBUTLFW-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H](N(C)C(=O)c2ccns2)C1 ZINC001267762138 775889572 /nfs/dbraw/zinc/88/95/72/775889572.db2.gz DIEXNZPJVUWKBP-OLZOCXBDSA-N 0 3 293.436 2.644 20 30 CFEDHN C#CCCCCC(=O)N(C)[C@H]1CCN(CC=C(C)C)C1 ZINC001267763235 775893233 /nfs/dbraw/zinc/89/32/33/775893233.db2.gz KMWXUOAMXJVXBZ-INIZCTEOSA-N 0 3 276.424 2.679 20 30 CFEDHN C=C[C@]1(C)CC[C@H](Oc2ccnc(N)c2)C(C)(C)O1 ZINC001226654548 775905990 /nfs/dbraw/zinc/90/59/90/775905990.db2.gz ZRRCYDOKKUANMW-SWLSCSKDSA-N 0 3 262.353 2.945 20 30 CFEDHN N#Cc1nc2ccc(O[C@@H]3CN4CCC3CC4)cc2s1 ZINC001226671068 775913297 /nfs/dbraw/zinc/91/32/97/775913297.db2.gz DKTXDDCTTZQDOZ-CYBMUJFWSA-N 0 3 285.372 2.641 20 30 CFEDHN C=CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267794885 775935895 /nfs/dbraw/zinc/93/58/95/775935895.db2.gz RNHDFTDBIJNEBE-DZGCQCFKSA-N 0 3 264.413 2.531 20 30 CFEDHN COCCN1CCC(Oc2cc(C)c(C#N)c(C)c2)CC1 ZINC001226831599 775984445 /nfs/dbraw/zinc/98/44/45/775984445.db2.gz KJHKRWJAWLKNEM-UHFFFAOYSA-N 0 3 288.391 2.665 20 30 CFEDHN CC#CCNCc1ccc(CNC(=O)C[C@H](C)C2CC2)cc1 ZINC001267940098 776069535 /nfs/dbraw/zinc/06/95/35/776069535.db2.gz CUTXYSCPWSAFJA-HNNXBMFYSA-N 0 3 298.430 2.852 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCCCCF)C1 ZINC001267956359 776115119 /nfs/dbraw/zinc/11/51/19/776115119.db2.gz DSJIHEANDKJWSG-CQSZACIVSA-N 0 3 284.419 2.919 20 30 CFEDHN Cc1cccc(CN2CCC(NC(=O)C#CC(C)C)CC2)c1 ZINC001227233153 776148095 /nfs/dbraw/zinc/14/80/95/776148095.db2.gz PVSFVGNTWDNONW-UHFFFAOYSA-N 0 3 298.430 2.735 20 30 CFEDHN N#Cc1ccc([O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001227344815 776180331 /nfs/dbraw/zinc/18/03/31/776180331.db2.gz DLGLFQVHSXGQRZ-MRXNPFEDSA-N 0 3 294.354 2.917 20 30 CFEDHN N#Cc1ccc([O-])c(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001227344815 776180335 /nfs/dbraw/zinc/18/03/35/776180335.db2.gz DLGLFQVHSXGQRZ-MRXNPFEDSA-N 0 3 294.354 2.917 20 30 CFEDHN C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001027309181 776290168 /nfs/dbraw/zinc/29/01/68/776290168.db2.gz ZPWBYYNLKZKKRP-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001027309181 776290176 /nfs/dbraw/zinc/29/01/76/776290176.db2.gz ZPWBYYNLKZKKRP-CQSZACIVSA-N 0 3 288.391 2.505 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001027426391 776318252 /nfs/dbraw/zinc/31/82/52/776318252.db2.gz QZVXCPGDECACFQ-SJORKVTESA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC001027425467 776318917 /nfs/dbraw/zinc/31/89/17/776318917.db2.gz IPWWKBXUULQBRD-AWEZNQCLSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC001027425468 776320155 /nfs/dbraw/zinc/32/01/55/776320155.db2.gz IPWWKBXUULQBRD-CQSZACIVSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001027691468 776409746 /nfs/dbraw/zinc/40/97/46/776409746.db2.gz XYVLNWWXCQYOTP-INIZCTEOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001027691015 776409964 /nfs/dbraw/zinc/40/99/64/776409964.db2.gz KZENYHDVEQXJKH-SJLPKXTDSA-N 0 3 288.435 2.679 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001027698060 776412203 /nfs/dbraw/zinc/41/22/03/776412203.db2.gz BPWHKPYTMGJQML-JKSUJKDBSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cccc(F)c1C ZINC001027898162 776499417 /nfs/dbraw/zinc/49/94/17/776499417.db2.gz FJWMDLWYETZXNY-CQSZACIVSA-N 0 3 290.382 2.904 20 30 CFEDHN CC(=O)/C=C\c1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC001228495325 776505956 /nfs/dbraw/zinc/50/59/56/776505956.db2.gz AVIOFFIMGSCMLT-BAHPRDJBSA-N 0 3 271.360 2.762 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001027926233 776515542 /nfs/dbraw/zinc/51/55/42/776515542.db2.gz NNFMQPXOKIQYTQ-AWEZNQCLSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001027962137 776530113 /nfs/dbraw/zinc/53/01/13/776530113.db2.gz MHPCJYTYQFKDOJ-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(C)[C@H](C)CNCc1cncs1 ZINC001268081900 776549353 /nfs/dbraw/zinc/54/93/53/776549353.db2.gz SWMLAABLQOVBSU-OLZOCXBDSA-N 0 3 295.452 2.682 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028027538 776563818 /nfs/dbraw/zinc/56/38/18/776563818.db2.gz ZRFNWBCAYRDXMA-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028042076 776566458 /nfs/dbraw/zinc/56/64/58/776566458.db2.gz ZJPZGHPQUNISEJ-XUWVNRHRSA-N 0 3 276.424 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028081075 776596557 /nfs/dbraw/zinc/59/65/57/776596557.db2.gz LPWCWENIHWHWJD-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028099717 776620094 /nfs/dbraw/zinc/62/00/94/776620094.db2.gz VYUYJFMMNLBHPN-LBPRGKRZSA-N 0 3 298.333 2.988 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001228829324 776624257 /nfs/dbraw/zinc/62/42/57/776624257.db2.gz VBYYGIGMSFMAQC-CHWSQXEVSA-N 0 3 270.392 2.575 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001038883595 776642279 /nfs/dbraw/zinc/64/22/79/776642279.db2.gz DEQRWZDVZYVANI-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCCCC(=O)NC1CCN(CCOCCCC)CC1 ZINC001228912510 776656033 /nfs/dbraw/zinc/65/60/33/776656033.db2.gz PXGMPJXDHDQNGH-UHFFFAOYSA-N 0 3 296.455 2.740 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001028154369 776665705 /nfs/dbraw/zinc/66/57/05/776665705.db2.gz FPDLZGGCMCRZMV-OAHLLOKOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001028154110 776666196 /nfs/dbraw/zinc/66/61/96/776666196.db2.gz FAQINXITMYSKCK-AWEZNQCLSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001028153353 776666424 /nfs/dbraw/zinc/66/64/24/776666424.db2.gz PKAJMWKNECKNLG-AWEZNQCLSA-N 0 3 283.375 2.548 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)CC1(C)CCCCC1 ZINC001268242392 776719324 /nfs/dbraw/zinc/71/93/24/776719324.db2.gz OQWDPUISYYWYPU-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C#CCCN(C)CCN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001268255371 776724646 /nfs/dbraw/zinc/72/46/46/776724646.db2.gz ZOVVFVFCKAFNQR-UHFFFAOYSA-N 0 3 296.414 2.673 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001028242924 776745690 /nfs/dbraw/zinc/74/56/90/776745690.db2.gz JOXRQITZSXWHHV-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN C#CCCCC(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001126343785 776771883 /nfs/dbraw/zinc/77/18/83/776771883.db2.gz HTRXRIVBAQTFLR-LBPRGKRZSA-N 0 3 294.345 2.535 20 30 CFEDHN CN(C)CCC(=O)c1ccc(O[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC001229306541 776774001 /nfs/dbraw/zinc/77/40/01/776774001.db2.gz NLPYFTZABGJFGE-CZUORRHYSA-N 0 3 286.375 2.892 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028271484 776778431 /nfs/dbraw/zinc/77/84/31/776778431.db2.gz HECHCWOXDVCKAD-YESZJQIVSA-N 0 3 284.403 2.557 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028275905 776787320 /nfs/dbraw/zinc/78/73/20/776787320.db2.gz FCTCVGUNLZPYSW-HNNXBMFYSA-N 0 3 290.794 2.558 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281652 776805395 /nfs/dbraw/zinc/80/53/95/776805395.db2.gz NTBGVHXWUMNBRX-HNNXBMFYSA-N 0 3 290.794 2.558 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028334528 776860418 /nfs/dbraw/zinc/86/04/18/776860418.db2.gz CFGFABSJEMPZJI-QDIHITRGSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341813 776862070 /nfs/dbraw/zinc/86/20/70/776862070.db2.gz VJIFEYXCZLZDTK-CQSZACIVSA-N 0 3 288.391 2.621 20 30 CFEDHN N#CCCNC1CCN(Cc2ccccc2Cl)CC1 ZINC000426003130 776882486 /nfs/dbraw/zinc/88/24/86/776882486.db2.gz ISJXKCQSJVZSRH-UHFFFAOYSA-N 0 3 277.799 2.808 20 30 CFEDHN CCCCCCCN1C[C@@H](NC(=O)C=C(C)C)[C@H](OC)C1 ZINC001211795606 776908581 /nfs/dbraw/zinc/90/85/81/776908581.db2.gz VVNPGRCDPBALGV-HZPDHXFCSA-N 0 3 296.455 2.738 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001028547245 776944575 /nfs/dbraw/zinc/94/45/75/776944575.db2.gz PDJDFCGZVHZLDK-OWCLPIDISA-N 0 3 290.451 2.520 20 30 CFEDHN C=C(Cl)CNCCCN(Cc1ccccc1)C(C)=O ZINC001277447623 776956222 /nfs/dbraw/zinc/95/62/22/776956222.db2.gz NWBRBPVEEJXCEG-UHFFFAOYSA-N 0 3 280.799 2.767 20 30 CFEDHN CC#CCNC/C=C/CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001268608174 776997067 /nfs/dbraw/zinc/99/70/67/776997067.db2.gz MRQLOBZXPWOLCM-BQYQJAHWSA-N 0 3 298.430 2.883 20 30 CFEDHN CC#CCNC/C=C/CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001268633028 777003009 /nfs/dbraw/zinc/00/30/09/777003009.db2.gz LHOLUWPSHQDMMH-DVBCCOPCSA-N 0 3 288.435 2.798 20 30 CFEDHN CC#CCNC/C=C\CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001268633029 777003065 /nfs/dbraw/zinc/00/30/65/777003065.db2.gz LHOLUWPSHQDMMH-JTHGQSKGSA-N 0 3 288.435 2.798 20 30 CFEDHN C#CCCCC(=O)N[C@H](C)CNCc1cc2ccccc2o1 ZINC001268643885 777007778 /nfs/dbraw/zinc/00/77/78/777007778.db2.gz GGIRPLNNEZXTQB-CQSZACIVSA-N 0 3 298.386 2.831 20 30 CFEDHN CC[C@H](C)CC(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268684159 777021355 /nfs/dbraw/zinc/02/13/55/777021355.db2.gz KWXNGXAVFQJZGX-HOTGVXAUSA-N 0 3 286.419 2.569 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001230646623 777035331 /nfs/dbraw/zinc/03/53/31/777035331.db2.gz SKXJZCSSYBGNNE-INIZCTEOSA-N 0 3 290.382 2.938 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001230696495 777044745 /nfs/dbraw/zinc/04/47/45/777044745.db2.gz BPRUQFICSMLQKD-AWEZNQCLSA-N 0 3 278.421 2.861 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001268755889 777046547 /nfs/dbraw/zinc/04/65/47/777046547.db2.gz FDJPDDNWVSLDGY-CQSZACIVSA-N 0 3 274.408 2.587 20 30 CFEDHN CC#CCN1CCC[C@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001277465148 777055501 /nfs/dbraw/zinc/05/55/01/777055501.db2.gz MNZTXDZPECKCCX-QCUIPMNBSA-N 0 3 288.435 2.681 20 30 CFEDHN C=C(Cl)CNCCCN(C)C(=O)c1cc[nH]c1CCC ZINC001268817519 777062740 /nfs/dbraw/zinc/06/27/40/777062740.db2.gz JILNGWRMJYBPDT-UHFFFAOYSA-N 0 3 297.830 2.771 20 30 CFEDHN CN(CCCNCc1ccccc1C#N)C(=O)C(C)(C)C ZINC001268926188 777074523 /nfs/dbraw/zinc/07/45/23/777074523.db2.gz VQKFGVYDMYVTMN-UHFFFAOYSA-N 0 3 287.407 2.542 20 30 CFEDHN C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\CC ZINC001268964501 777078412 /nfs/dbraw/zinc/07/84/12/777078412.db2.gz CAHGSMFZRBCLPB-BNOHMRNQSA-N 0 3 276.424 2.984 20 30 CFEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001277473230 777098923 /nfs/dbraw/zinc/09/89/23/777098923.db2.gz BFJHETYTYBUCBG-SFHVURJKSA-N 0 3 290.451 2.905 20 30 CFEDHN C#CCN1CCC[C@]2(CCN(C(=O)CCC3(C)CC3)C2)C1 ZINC001277473848 777100717 /nfs/dbraw/zinc/10/07/17/777100717.db2.gz KLBKDIIDGUSZBT-SFHVURJKSA-N 0 3 288.435 2.514 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OC ZINC001230967662 777103945 /nfs/dbraw/zinc/10/39/45/777103945.db2.gz PDSCCTGKAQBYPR-LSDHHAIUSA-N 0 3 284.444 2.524 20 30 CFEDHN CC(C)C#CC(=O)N[C@@H]1CCN([C@H]2CCc3ccccc32)C1 ZINC001269126148 777107794 /nfs/dbraw/zinc/10/77/94/777107794.db2.gz ASTIIEYRFLUJRG-AEFFLSMTSA-N 0 3 296.414 2.524 20 30 CFEDHN C=CCCCN1CC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001269126540 777108477 /nfs/dbraw/zinc/10/84/77/777108477.db2.gz QROAOEDYDINRLK-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001269172217 777127720 /nfs/dbraw/zinc/12/77/20/777127720.db2.gz JLTJLTFKZXRZNS-HUUCEWRRSA-N 0 3 266.429 2.825 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001269172766 777128027 /nfs/dbraw/zinc/12/80/27/777128027.db2.gz WGFMFPBLSPTFGM-IAGOWNOFSA-N 0 3 290.451 2.973 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CCC(C)C ZINC001231061345 777128274 /nfs/dbraw/zinc/12/82/74/777128274.db2.gz KBWMGSKGNNDADX-HOTGVXAUSA-N 0 3 296.455 2.546 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCOC1 ZINC001231062886 777128359 /nfs/dbraw/zinc/12/83/59/777128359.db2.gz VMKLDOSZLVUCQQ-JKSUJKDBSA-N 0 3 296.455 2.526 20 30 CFEDHN C=CCCC(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001269206185 777138749 /nfs/dbraw/zinc/13/87/49/777138749.db2.gz SMEIFJANGZGABI-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001269254586 777152059 /nfs/dbraw/zinc/15/20/59/777152059.db2.gz BYZRDTWBDLFMMS-HIFRSBDPSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001269293302 777161380 /nfs/dbraw/zinc/16/13/80/777161380.db2.gz WRAUSGLISHKBAN-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001269293304 777161484 /nfs/dbraw/zinc/16/14/84/777161484.db2.gz WRAUSGLISHKBAN-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231161991 777161897 /nfs/dbraw/zinc/16/18/97/777161897.db2.gz PKZWBAJJOMBRIZ-JKSUJKDBSA-N 0 3 298.471 2.915 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001269312778 777165805 /nfs/dbraw/zinc/16/58/05/777165805.db2.gz XYERTIHWXOFJBN-HNNXBMFYSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)CCC ZINC001231261807 777180163 /nfs/dbraw/zinc/18/01/63/777180163.db2.gz ATJSSYRLJPJIKH-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[C@H](CNC(=O)[C@H](C)C1CC1)NCC#Cc1ccccc1 ZINC001269384061 777181671 /nfs/dbraw/zinc/18/16/71/777181671.db2.gz NYFZWRBAKZYMGB-CRAIPNDOSA-N 0 3 298.430 2.569 20 30 CFEDHN C#CCCN(C)CCN(C(=O)[C@H]1CCC[C@H](F)C1)C(C)C ZINC001284533065 777203864 /nfs/dbraw/zinc/20/38/64/777203864.db2.gz DOYKITLWZGYSKN-HOTGVXAUSA-N 0 3 296.430 2.707 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@]2(C)CCC(C)=C(C)C2)CC1 ZINC001269544425 777206083 /nfs/dbraw/zinc/20/60/83/777206083.db2.gz GABDORHWJSSZOA-QGZVFWFLSA-N 0 3 288.435 2.775 20 30 CFEDHN C#CCN(C)Cc1ccc2cc(N(C)C)ccc2c1 ZINC001231441746 777219780 /nfs/dbraw/zinc/21/97/80/777219780.db2.gz DNIOUXQWXGOMGO-UHFFFAOYSA-N 0 3 252.361 2.971 20 30 CFEDHN C=CCCCC(=O)N(C)C1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001269844341 777257349 /nfs/dbraw/zinc/25/73/49/777257349.db2.gz ZCYOXKMSNBXPGV-OAGGEKHMSA-N 0 3 290.451 2.922 20 30 CFEDHN COc1cc(C#N)ccc1CN1C[C@@H](C)CC12CC2 ZINC001231620878 777282502 /nfs/dbraw/zinc/28/25/02/777282502.db2.gz OQZMJOTYXBKJQP-LBPRGKRZSA-N 0 3 256.349 2.941 20 30 CFEDHN C#Cc1cccc(CN2CCCN(c3ccccn3)CC2)c1 ZINC001231658226 777295755 /nfs/dbraw/zinc/29/57/55/777295755.db2.gz RRZFINPQKKDZLH-UHFFFAOYSA-N 0 3 291.398 2.775 20 30 CFEDHN CN(C)/C=N/c1ccc(NCC(F)(F)F)cc1C#N ZINC001161632877 777319585 /nfs/dbraw/zinc/31/95/85/777319585.db2.gz QXDQVDUXIJAGLK-QGMBQPNBSA-N 0 3 270.258 2.754 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001270231954 777336491 /nfs/dbraw/zinc/33/64/91/777336491.db2.gz OOEXAQLTHVXSQI-CVEARBPZSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCCCC(=O)N1CCC[C@@H]1CNCc1cccnc1 ZINC001270259435 777343147 /nfs/dbraw/zinc/34/31/47/777343147.db2.gz PMHZZPYJPNOPGG-MRXNPFEDSA-N 0 3 287.407 2.519 20 30 CFEDHN COc1cc(N(C)C)ccc1CN1CCC(CC#N)CC1 ZINC001231854041 777352517 /nfs/dbraw/zinc/35/25/17/777352517.db2.gz WXOSIHAUCWBBHF-UHFFFAOYSA-N 0 3 287.407 2.887 20 30 CFEDHN C#CCN(C(=O)/C=C(/C)CC)C1CCN(CC(=C)C)CC1 ZINC001270308735 777354058 /nfs/dbraw/zinc/35/40/58/777354058.db2.gz XZCNYUFWOPSNSH-SSZFMOIBSA-N 0 3 288.435 2.845 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029011317 777377998 /nfs/dbraw/zinc/37/79/98/777377998.db2.gz IFDQCACIVYGDLG-HOTGVXAUSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC001029020029 777388158 /nfs/dbraw/zinc/38/81/58/777388158.db2.gz NBDHACUODYTOTO-CQSZACIVSA-N 0 3 296.370 2.508 20 30 CFEDHN CCC(=O)N1CCC([C@@H](C)NCc2ccccc2C#N)CC1 ZINC001029030664 777397335 /nfs/dbraw/zinc/39/73/35/777397335.db2.gz FCVZHMGFLHJPPL-CQSZACIVSA-N 0 3 299.418 2.685 20 30 CFEDHN C#CCCN1CC[C@@](C)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001270633098 777436017 /nfs/dbraw/zinc/43/60/17/777436017.db2.gz PQQFBRWSDCZSGA-NVXWUHKLSA-N 0 3 278.440 2.663 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)CCCC(C)C)C1 ZINC001270631755 777436621 /nfs/dbraw/zinc/43/66/21/777436621.db2.gz GAUBEOVGQMCBRW-HNNXBMFYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CC[C@@](C)(NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001270648482 777440478 /nfs/dbraw/zinc/44/04/78/777440478.db2.gz HVEXRCYZBNCGIU-WCQYABFASA-N 0 3 292.345 2.732 20 30 CFEDHN N#Cc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1Cl ZINC001232120133 777447295 /nfs/dbraw/zinc/44/72/95/777447295.db2.gz NFVBVVHTKHZBCB-OAHLLOKOSA-N 0 3 289.810 2.882 20 30 CFEDHN N#CCC1CCN(Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232139767 777449354 /nfs/dbraw/zinc/44/93/54/777449354.db2.gz RGHMZROLUUSMGI-UHFFFAOYSA-N 0 3 282.347 2.862 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccc(OCC)nc2C)C1 ZINC001232311586 777516812 /nfs/dbraw/zinc/51/68/12/777516812.db2.gz WCDVDPWGHZPUSU-AWEZNQCLSA-N 0 3 258.365 2.634 20 30 CFEDHN CCCCCCC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126822606 777561617 /nfs/dbraw/zinc/56/16/17/777561617.db2.gz VTGNHGXWSZFVJN-OAHLLOKOSA-N 0 3 286.375 2.982 20 30 CFEDHN COc1ccc([C@@H]2CCN(Cc3cc(C#N)ccn3)C2)cc1 ZINC001232480042 777575740 /nfs/dbraw/zinc/57/57/40/777575740.db2.gz GQKMRHSHLQMRQC-MRXNPFEDSA-N 0 3 293.370 2.951 20 30 CFEDHN C=CCN1CCC[C@@](C)(CNC(=O)CCC2CCC2)C1 ZINC001270949758 777612838 /nfs/dbraw/zinc/61/28/38/777612838.db2.gz JZYXTBHSSIVQIC-KRWDZBQOSA-N 0 3 278.440 2.971 20 30 CFEDHN C#CCN1CCC([C@H](C)NC(=O)CC(C)(C)CC)CC1 ZINC001279137657 777620929 /nfs/dbraw/zinc/62/09/29/777620929.db2.gz XMQPYYJLBVBZIE-AWEZNQCLSA-N 0 3 278.440 2.663 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087595697 777664427 /nfs/dbraw/zinc/66/44/27/777664427.db2.gz QLXHKSGTKRLZEM-FRRDWIJNSA-N 0 3 286.366 2.577 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1CC ZINC001087621070 777668335 /nfs/dbraw/zinc/66/83/35/777668335.db2.gz HDXGMZOTRXWDOQ-HRCADAONSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1CC ZINC001087673980 777676714 /nfs/dbraw/zinc/67/67/14/777676714.db2.gz KQRSZGHMJBVRQK-LSDHHAIUSA-N 0 3 278.440 2.968 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1CC ZINC001087698604 777682777 /nfs/dbraw/zinc/68/27/77/777682777.db2.gz DCTWJKJGCVGNIR-JKSUJKDBSA-N 0 3 290.451 2.805 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)s1 ZINC001232842357 777690752 /nfs/dbraw/zinc/69/07/52/777690752.db2.gz AGQVBWDPFWFJKC-DLBZAZTESA-N 0 3 298.411 2.798 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1CC ZINC001087741196 777691093 /nfs/dbraw/zinc/69/10/93/777691093.db2.gz UUKWOHKIIOYBST-DOTOQJQBSA-N 0 3 297.402 2.937 20 30 CFEDHN C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC)cc1 ZINC001029416405 777692771 /nfs/dbraw/zinc/69/27/71/777692771.db2.gz IWQARJNAFSDNIP-HDICACEKSA-N 0 3 296.414 2.757 20 30 CFEDHN CC(C)N1CCN(Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC001232892827 777708818 /nfs/dbraw/zinc/70/88/18/777708818.db2.gz YDJWCEPXUBSPJM-ZDUSSCGKSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1CC ZINC001087840769 777717221 /nfs/dbraw/zinc/71/72/21/777717221.db2.gz NESSPAFXQSQWFD-LMNGEROHSA-N 0 3 290.451 2.968 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1CC ZINC001087839577 777717715 /nfs/dbraw/zinc/71/77/15/777717715.db2.gz JHDIXTFXHLRRIX-LSDHHAIUSA-N 0 3 292.448 2.754 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]2Cc2ccccn2)n1 ZINC001232924653 777722080 /nfs/dbraw/zinc/72/20/80/777722080.db2.gz QQVFPJHLFCXBNQ-QGZVFWFLSA-N 0 3 278.359 2.555 20 30 CFEDHN CCCCCCN1CCN(Cc2cccc(C#N)n2)CC1 ZINC001232924656 777722517 /nfs/dbraw/zinc/72/25/17/777722517.db2.gz QZSPYQPSPOCRMZ-UHFFFAOYSA-N 0 3 286.423 2.651 20 30 CFEDHN Cc1ccc(CN2CCC[C@](C)(O)[C@H](C)C2)c(C#N)c1 ZINC001232963852 777741477 /nfs/dbraw/zinc/74/14/77/777741477.db2.gz NJPPPFPXFGXYNZ-PBHICJAKSA-N 0 3 272.392 2.850 20 30 CFEDHN C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCC)CC1 ZINC001029453148 777741434 /nfs/dbraw/zinc/74/14/34/777741434.db2.gz LDMMAESILVVPCO-IYBDPMFKSA-N 0 3 276.424 2.818 20 30 CFEDHN COC(=O)CC[C@@H]1CCN(Cc2ccc(C)cc2C#N)C1 ZINC001232967166 777743061 /nfs/dbraw/zinc/74/30/61/777743061.db2.gz FWAYQAINARNBOX-CQSZACIVSA-N 0 3 286.375 2.642 20 30 CFEDHN Cc1ccc(CN2CCC[C@H]2C(C)(C)O)c(C#N)c1 ZINC001232967483 777743168 /nfs/dbraw/zinc/74/31/68/777743168.db2.gz NPRXBMCYDSPPOM-HNNXBMFYSA-N 0 3 258.365 2.602 20 30 CFEDHN Cc1cc(C#N)ccc1CN1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001233080217 777789625 /nfs/dbraw/zinc/78/96/25/777789625.db2.gz VKONLEUFLXWBOC-GASCZTMLSA-N 0 3 254.333 2.563 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001233081433 777791823 /nfs/dbraw/zinc/79/18/23/777791823.db2.gz FALKRBSCGFPJLT-SFHVURJKSA-N 0 3 297.402 2.501 20 30 CFEDHN N#C[C@H]1CCCN(Cc2n[nH]c3cc(F)ccc32)CC1 ZINC001233123626 777802124 /nfs/dbraw/zinc/80/21/24/777802124.db2.gz ZTWFWSXZYBPIAE-NSHDSACASA-N 0 3 272.327 2.828 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2CCC2)C1 ZINC001088244687 777915206 /nfs/dbraw/zinc/91/52/06/777915206.db2.gz BOPSLYDAXMXIFL-AWEZNQCLSA-N 0 3 284.831 2.900 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCC(CCN(C)CCF)CC2)C1 ZINC001271783272 777972267 /nfs/dbraw/zinc/97/22/67/777972267.db2.gz BDMISYNVUNTECM-UHFFFAOYSA-N 0 3 296.430 2.873 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCC1CCC1 ZINC001233548648 777985946 /nfs/dbraw/zinc/98/59/46/777985946.db2.gz GZCUMHXYUKDCQE-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2cc[nH]c2)C1 ZINC001088320146 778001469 /nfs/dbraw/zinc/00/14/69/778001469.db2.gz XJEYYVJQIKUMDJ-CQSZACIVSA-N 0 3 295.814 2.742 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C=C(CC)CC ZINC001233654983 778026276 /nfs/dbraw/zinc/02/62/76/778026276.db2.gz VHOPTWYXEURRHP-HNNXBMFYSA-N 0 3 264.413 2.842 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001088359771 778032868 /nfs/dbraw/zinc/03/28/68/778032868.db2.gz HAOYDFFAMJPYAP-KWCYVHTRSA-N 0 3 284.831 2.756 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233691506 778041617 /nfs/dbraw/zinc/04/16/17/778041617.db2.gz BHXONYWVJSZXQK-CVEARBPZSA-N 0 3 289.423 2.548 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)n1cccc1 ZINC001233694315 778042452 /nfs/dbraw/zinc/04/24/52/778042452.db2.gz NDJLJCWNADUOHU-HZPDHXFCSA-N 0 3 289.423 2.548 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001233800020 778080776 /nfs/dbraw/zinc/08/07/76/778080776.db2.gz NEUGFBVIOIBPES-ZXHJHMIBSA-N 0 3 290.363 2.507 20 30 CFEDHN COc1cc(/C=N/[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001233800020 778080786 /nfs/dbraw/zinc/08/07/86/778080786.db2.gz NEUGFBVIOIBPES-ZXHJHMIBSA-N 0 3 290.363 2.507 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC001088453232 778120299 /nfs/dbraw/zinc/12/02/99/778120299.db2.gz BWOCYZLVPKKJEZ-NEPJUHHUSA-N 0 3 264.394 2.517 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](OCC)C(C)C ZINC001234255465 778194353 /nfs/dbraw/zinc/19/43/53/778194353.db2.gz NRHHQIRRWUGGMM-CVEARBPZSA-N 0 3 296.455 2.546 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cnn(CC3CCC3)c2)C1 ZINC000897432597 778227514 /nfs/dbraw/zinc/22/75/14/778227514.db2.gz OUVSDCGJZCXXSI-GDBMZVCRSA-N 0 3 272.396 2.855 20 30 CFEDHN CC(C)(CC(=O)NCCNCc1cccc(C#N)c1)C1CC1 ZINC001126716135 778243898 /nfs/dbraw/zinc/24/38/98/778243898.db2.gz AULVOJSRSQMOGG-UHFFFAOYSA-N 0 3 299.418 2.590 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001272067875 778249778 /nfs/dbraw/zinc/24/97/78/778249778.db2.gz QEQUHDVGPBRUBF-QGZVFWFLSA-N 0 3 286.419 2.756 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234554047 778250792 /nfs/dbraw/zinc/25/07/92/778250792.db2.gz CXDLBEVXITWXIK-CQSZACIVSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563485 778253114 /nfs/dbraw/zinc/25/31/14/778253114.db2.gz ROMRYFPBAYYPOO-AWEZNQCLSA-N 0 3 266.429 2.777 20 30 CFEDHN COc1ccc2c(c1)C[C@H](NCC1(C#N)CCCC1)C2 ZINC001168228691 778259206 /nfs/dbraw/zinc/25/92/06/778259206.db2.gz IEQMIIDNRYMSKF-OAHLLOKOSA-N 0 3 270.376 2.836 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)C1(C2CCC2)CCC1 ZINC001272076072 778269994 /nfs/dbraw/zinc/26/99/94/778269994.db2.gz QOCGJYZERQOAHR-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN CN1CCC[C@H](Oc2cc(Br)cc(C#N)c2)C1 ZINC001229282174 778293987 /nfs/dbraw/zinc/29/39/87/778293987.db2.gz ABWGQOBMJHJRTO-LBPRGKRZSA-N 0 3 295.180 2.794 20 30 CFEDHN CN1CCC[C@@H](Oc2cnc3ccccc3c2C#N)C1 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ZINC001235227576 778422157 /nfs/dbraw/zinc/42/21/57/778422157.db2.gz VDDZULLNEKLUBQ-INIZCTEOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC001088730624 778460851 /nfs/dbraw/zinc/46/08/51/778460851.db2.gz LNGXPULGCTYVIV-QAPCUYQASA-N 0 3 298.430 2.855 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1C ZINC001088763531 778482354 /nfs/dbraw/zinc/48/23/54/778482354.db2.gz MJNFBRGPIOIKQT-CWVYHPPDSA-N 0 3 276.424 2.578 20 30 CFEDHN CC(C)(C)C#CC(=O)NCCNCc1cccc(Cl)c1 ZINC001126893329 778525889 /nfs/dbraw/zinc/52/58/89/778525889.db2.gz LAWLUSYARULZOH-UHFFFAOYSA-N 0 3 292.810 2.595 20 30 CFEDHN CC#CCN(C)CCCNC(=O)CCCC(C)(C)C ZINC001235683454 778535106 /nfs/dbraw/zinc/53/51/06/778535106.db2.gz KGWBPAMRXXCYRH-UHFFFAOYSA-N 0 3 266.429 2.664 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001076493409 778592497 /nfs/dbraw/zinc/59/24/97/778592497.db2.gz DWJSIWHGZYWAKJ-DLBZAZTESA-N 0 3 284.403 2.717 20 30 CFEDHN C#Cc1cccc(CN2CCc3ccc(N)cc3C2)c1 ZINC001236231868 778746083 /nfs/dbraw/zinc/74/60/83/778746083.db2.gz KWTALKJZSXOOIY-UHFFFAOYSA-N 0 3 262.356 2.808 20 30 CFEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1C ZINC000129874365 778870615 /nfs/dbraw/zinc/87/06/15/778870615.db2.gz LRCZXZQWPMWQBN-LBPRGKRZSA-N 0 3 298.298 2.558 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC001088870258 778922305 /nfs/dbraw/zinc/92/23/05/778922305.db2.gz BVPSZZSBXIZMGA-CJNGLKHVSA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2F)[C@H]1C ZINC001088929156 778950482 /nfs/dbraw/zinc/95/04/82/778950482.db2.gz LRLHVNZHWYEGMB-ZENOOKHLSA-N 0 3 290.382 2.694 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@H]1C ZINC001088923761 778950964 /nfs/dbraw/zinc/95/09/64/778950964.db2.gz RUDNMLCPPBZNQD-IOASZLSFSA-N 0 3 290.407 2.765 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088993693 778968165 /nfs/dbraw/zinc/96/81/65/778968165.db2.gz WTBLKEPZXJSNFP-FPCVCCKLSA-N 0 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C=C(Cl)CN[C@H]1C[C@H](NC(=O)C=C2CCC2)C12CCC2 ZINC001078593686 780278337 /nfs/dbraw/zinc/27/83/37/780278337.db2.gz HHRPXIUGPFAGHD-KBPBESRZSA-N 0 3 294.826 2.866 20 30 CFEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(C)s2)C1=O ZINC001272934235 780307062 /nfs/dbraw/zinc/30/70/62/780307062.db2.gz OLDBAPHKWDPEHX-MRXNPFEDSA-N 0 3 290.432 2.809 20 30 CFEDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCOCCC#N ZINC000451402603 780367400 /nfs/dbraw/zinc/36/74/00/780367400.db2.gz BSMDTXPWPLUCKS-WDEREUQCSA-N 0 3 264.291 2.579 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1ccnc(Cl)c1 ZINC001128242946 780367652 /nfs/dbraw/zinc/36/76/52/780367652.db2.gz ZWKFUFRGZUVTCT-UHFFFAOYSA-N 0 3 295.814 2.543 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001032841740 780453190 /nfs/dbraw/zinc/45/31/90/780453190.db2.gz IBYRQDIAUHXEJH-BZUAXINKSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888899 780497331 /nfs/dbraw/zinc/49/73/31/780497331.db2.gz AEWRJNOJXWURCA-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032913499 780510211 /nfs/dbraw/zinc/51/02/11/780510211.db2.gz PFERJAKZWIIYOQ-NSHDSACASA-N 0 3 282.771 2.655 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076735 780555302 /nfs/dbraw/zinc/55/53/02/780555302.db2.gz NYVUMCZKFXWQGA-HOTGVXAUSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033106873 780566460 /nfs/dbraw/zinc/56/64/60/780566460.db2.gz IRUOOLODXBJAHA-AWEZNQCLSA-N 0 3 290.432 2.535 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001033132913 780577830 /nfs/dbraw/zinc/57/78/30/780577830.db2.gz AKYGTMYYSBRCRT-CHWSQXEVSA-N 0 3 286.366 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033229911 780622661 /nfs/dbraw/zinc/62/26/61/780622661.db2.gz FWLQGSBXRRZDPD-MRXNPFEDSA-N 0 3 299.418 2.681 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2Cc3ccccc3C2)C1 ZINC001033451167 780685497 /nfs/dbraw/zinc/68/54/97/780685497.db2.gz VSZGBQQEQKPOOF-SFHVURJKSA-N 0 3 298.430 2.510 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033500641 780696357 /nfs/dbraw/zinc/69/63/57/780696357.db2.gz MWEGLVHOXGICHN-CQSZACIVSA-N 0 3 278.421 2.779 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033602041 780725419 /nfs/dbraw/zinc/72/54/19/780725419.db2.gz UIEYJCXERHOAJR-BZUAXINKSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033604990 780728724 /nfs/dbraw/zinc/72/87/24/780728724.db2.gz XNGSEBSQEWLRKW-OAHLLOKOSA-N 0 3 290.794 2.510 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001033641691 780740515 /nfs/dbraw/zinc/74/05/15/780740515.db2.gz BODFKYLLEZILSO-OAHLLOKOSA-N 0 3 297.402 2.890 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033679247 780747498 /nfs/dbraw/zinc/74/74/98/780747498.db2.gz VDQMFIZXNGOHLZ-FUHWJXTLSA-N 0 3 288.435 2.679 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753676 780779006 /nfs/dbraw/zinc/77/90/06/780779006.db2.gz SVBQTZZKGJSABZ-JKSUJKDBSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCC[N@H+]1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001033749278 780777699 /nfs/dbraw/zinc/77/76/99/780777699.db2.gz FNCWIQKWIPZDKG-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001033749278 780777711 /nfs/dbraw/zinc/77/77/11/780777711.db2.gz FNCWIQKWIPZDKG-AWEZNQCLSA-N 0 3 288.391 2.505 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033926423 780824343 /nfs/dbraw/zinc/82/43/43/780824343.db2.gz JQEZHHIFNNXUEL-MRXNPFEDSA-N 0 3 288.435 2.513 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033959513 780838091 /nfs/dbraw/zinc/83/80/91/780838091.db2.gz DQWJIOXLNRXQMY-QLFBSQMISA-N 0 3 264.413 2.531 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034032134 780861194 /nfs/dbraw/zinc/86/11/94/780861194.db2.gz MEUIJLAGOFNUEZ-SFHVURJKSA-N 0 3 298.430 2.863 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022583 780862687 /nfs/dbraw/zinc/86/26/87/780862687.db2.gz DIGGSJRQEWQOHI-QGZVFWFLSA-N 0 3 284.403 2.555 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001034080216 780880447 /nfs/dbraw/zinc/88/04/47/780880447.db2.gz JWTTZWLCDGIACQ-INIZCTEOSA-N 0 3 290.382 2.986 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034082962 780885475 /nfs/dbraw/zinc/88/54/75/780885475.db2.gz OGCWPJXMPYZSOZ-HNNXBMFYSA-N 0 3 264.413 2.723 20 30 CFEDHN C#C[C@H](NCc1ccc(C(=O)OC)cc1)C(C)(C)C ZINC000702224316 780901034 /nfs/dbraw/zinc/90/10/34/780901034.db2.gz OAHBWPHCZPHCHM-AWEZNQCLSA-N 0 3 259.349 2.611 20 30 CFEDHN C#CCCN1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034164831 780913537 /nfs/dbraw/zinc/91/35/37/780913537.db2.gz TVDQUNJNVONNCP-AWEZNQCLSA-N 0 3 290.432 2.664 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001034171797 780915691 /nfs/dbraw/zinc/91/56/91/780915691.db2.gz ZPROIQLYWMOWKI-CYBMUJFWSA-N 0 3 293.436 2.612 20 30 CFEDHN N#Cc1ccc2c(c1)CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001137832815 780923317 /nfs/dbraw/zinc/92/33/17/780923317.db2.gz JFJDZPCLLKGBSL-UHFFFAOYSA-N 0 3 282.318 2.961 20 30 CFEDHN N#Cc1ccc2c(c1)CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001137832815 780923320 /nfs/dbraw/zinc/92/33/20/780923320.db2.gz JFJDZPCLLKGBSL-UHFFFAOYSA-N 0 3 282.318 2.961 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001034261061 780932668 /nfs/dbraw/zinc/93/26/68/780932668.db2.gz QYUGGKRCDBGRFU-CHWSQXEVSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277985 780938158 /nfs/dbraw/zinc/93/81/58/780938158.db2.gz UYJUJTRKZHQNET-OAHLLOKOSA-N 0 3 289.423 2.792 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001034351637 780953621 /nfs/dbraw/zinc/95/36/21/780953621.db2.gz NPOLIWLUTYWSEY-AWEZNQCLSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)c2cccnc2C)C1 ZINC001034373097 780957255 /nfs/dbraw/zinc/95/72/55/780957255.db2.gz QFKDUBUGJAWOAZ-OAHLLOKOSA-N 0 3 287.407 2.550 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034378506 780961501 /nfs/dbraw/zinc/96/15/01/780961501.db2.gz UCJLVWOULSULKD-YMAMQOFZSA-N 0 3 282.403 2.671 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034390083 780963916 /nfs/dbraw/zinc/96/39/16/780963916.db2.gz XBKSBTLXFBDBOY-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034480205 780980823 /nfs/dbraw/zinc/98/08/23/780980823.db2.gz GYIGKSDTRFFGRT-ZBFHGGJFSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034472947 780981601 /nfs/dbraw/zinc/98/16/01/780981601.db2.gz ARRIDQWFWDSDRK-GJZGRUSLSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034472943 780982160 /nfs/dbraw/zinc/98/21/60/780982160.db2.gz ARRIDQWFWDSDRK-CABCVRRESA-N 0 3 276.424 2.723 20 30 CFEDHN CCCCCCCNC(=O)c1cccc2c1CNC2 ZINC000705860898 781148128 /nfs/dbraw/zinc/14/81/28/781148128.db2.gz JMDWTHVKWYHNKT-UHFFFAOYSA-N 0 3 260.381 2.990 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C)CCC1)CC2 ZINC001035767437 781165345 /nfs/dbraw/zinc/16/53/45/781165345.db2.gz USKOBSKPKAEZHQ-UHFFFAOYSA-N 0 3 276.424 2.677 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC(C)(F)F)CC2 ZINC001035786805 781168894 /nfs/dbraw/zinc/16/88/94/781168894.db2.gz DZBVKSHZOZNPST-UHFFFAOYSA-N 0 3 286.366 2.532 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](F)C1)CC2 ZINC001035777772 781171026 /nfs/dbraw/zinc/17/10/26/781171026.db2.gz PBRFKQWBCOLEGM-HUUCEWRRSA-N 0 3 294.414 2.625 20 30 CFEDHN CSC1CC(NCc2ccc(C#N)cc2F)C1 ZINC000708303699 781269666 /nfs/dbraw/zinc/26/96/66/781269666.db2.gz REZRWCDZWQQHEH-UHFFFAOYSA-N 0 3 250.342 2.681 20 30 CFEDHN N#Cc1ncc(Cl)cc1N[C@@H]1CNCc2ccsc21 ZINC001163228249 781410445 /nfs/dbraw/zinc/41/04/45/781410445.db2.gz JXCSWFSVBAGTJR-GFCCVEGCSA-N 0 3 290.779 2.925 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001079756871 781618131 /nfs/dbraw/zinc/61/81/31/781618131.db2.gz YPNUMPCRAHUJNH-INMHGKMJSA-N 0 3 276.424 2.745 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001079809840 781621553 /nfs/dbraw/zinc/62/15/53/781621553.db2.gz BWCUGEBRRIOWRO-CRAIPNDOSA-N 0 3 298.430 2.883 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079947477 781627874 /nfs/dbraw/zinc/62/78/74/781627874.db2.gz AUFIJPQJCBOXPT-OWCLPIDISA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080380623 781653978 /nfs/dbraw/zinc/65/39/78/781653978.db2.gz BJBDUDDKAPTDQA-HUUCEWRRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001080496748 781663328 /nfs/dbraw/zinc/66/33/28/781663328.db2.gz FSSSMRIZHKPRET-CZUORRHYSA-N 0 3 290.382 2.760 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001080638767 781672804 /nfs/dbraw/zinc/67/28/04/781672804.db2.gz PKDJZUGYXOBQEB-XJKCOSOUSA-N 0 3 290.382 2.552 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001080672380 781673484 /nfs/dbraw/zinc/67/34/84/781673484.db2.gz VEAKICGYSCCATF-CZUORRHYSA-N 0 3 298.386 2.598 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001081027376 781691135 /nfs/dbraw/zinc/69/11/35/781691135.db2.gz MZJCOOOUFVZXPQ-PRLABOORSA-N 0 3 290.451 2.519 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001081017423 781696481 /nfs/dbraw/zinc/69/64/81/781696481.db2.gz BDTRMYKSJLAZJG-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC ZINC001098927614 781857417 /nfs/dbraw/zinc/85/74/17/781857417.db2.gz NOJHVVWYJNSPDV-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C[C@@H]21 ZINC001084912436 781859394 /nfs/dbraw/zinc/85/93/94/781859394.db2.gz MQFIOTYWFUGLPT-NRKLIOEPSA-N 0 3 288.435 2.531 20 30 CFEDHN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OC ZINC001098952941 781913491 /nfs/dbraw/zinc/91/34/91/781913491.db2.gz NQQJVJOLCMZMJY-LSDHHAIUSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@H](CO)CC(F)F)cc1 ZINC000594504001 349434276 /nfs/dbraw/zinc/43/42/76/349434276.db2.gz LYYKHVZVIZSZQF-ZDUSSCGKSA-N 0 3 282.334 2.593 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCc3ccccc3NC2=O)C1 ZINC000594511396 349435436 /nfs/dbraw/zinc/43/54/36/349435436.db2.gz MUSBMMWVODRDDZ-INWMFGNUSA-N 0 3 283.375 2.612 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000594513750 349437259 /nfs/dbraw/zinc/43/72/59/349437259.db2.gz FQTUOOZOWPCLHR-JTQLQIEISA-N 0 3 280.393 2.687 20 30 CFEDHN C[C@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CO1 ZINC000594516100 349438001 /nfs/dbraw/zinc/43/80/01/349438001.db2.gz BATHJARSPGSBIJ-WFASDCNBSA-N 0 3 256.349 2.704 20 30 CFEDHN CSC[C@H](CCO)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594515485 349438236 /nfs/dbraw/zinc/43/82/36/349438236.db2.gz VTNSHHPKSDOVGE-HNNXBMFYSA-N 0 3 292.448 2.691 20 30 CFEDHN CCC(C)(C)N1CCN(c2cc(C)ncc2C#N)CC1 ZINC000594591452 349453731 /nfs/dbraw/zinc/45/37/31/349453731.db2.gz LELTWFWENIHPHH-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN COC[C@H](NC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594520075 349440988 /nfs/dbraw/zinc/44/09/88/349440988.db2.gz YHQMVAGXMATRPH-INIZCTEOSA-N 0 3 270.376 2.952 20 30 CFEDHN COc1cc(CN[C@H]2CC[C@H](C)SC2)ccc1C#N ZINC000594525270 349442047 /nfs/dbraw/zinc/44/20/47/349442047.db2.gz UMOCEPCBUSQRAS-FZMZJTMJSA-N 0 3 276.405 2.941 20 30 CFEDHN C[C@H](N[C@H]1COC2(CCC2)C1)c1cccc(C#N)c1 ZINC000594723445 349480216 /nfs/dbraw/zinc/48/02/16/349480216.db2.gz AZSDZZOPFIBHFH-SWLSCSKDSA-N 0 3 256.349 2.920 20 30 CFEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)CO)cc1 ZINC000127641063 187323090 /nfs/dbraw/zinc/32/30/90/187323090.db2.gz QLVCDIUGSGJGTK-NWDGAFQWSA-N 0 3 269.772 2.849 20 30 CFEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000124581611 187144179 /nfs/dbraw/zinc/14/41/79/187144179.db2.gz WSZBHVOVZSHLSS-DOMZBBRYSA-N 0 3 271.364 2.760 20 30 CFEDHN N#CC1(c2ccc(CNCCNc3ccccn3)cc2)CC1 ZINC000594923644 349510169 /nfs/dbraw/zinc/51/01/69/349510169.db2.gz ULKUYXFRTWITMG-UHFFFAOYSA-N 0 3 292.386 2.838 20 30 CFEDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594948762 349525405 /nfs/dbraw/zinc/52/54/05/349525405.db2.gz BHDTVGPCMOMAPX-VBNZEHGJSA-N 0 3 298.386 2.725 20 30 CFEDHN CC[C@H](COCC1CC1)NCc1cccc(C#N)c1 ZINC000594957870 349529335 /nfs/dbraw/zinc/52/93/35/349529335.db2.gz VXRLOROPLPRWSW-MRXNPFEDSA-N 0 3 258.365 2.853 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000594958324 349529548 /nfs/dbraw/zinc/52/95/48/349529548.db2.gz PTWRNRIWSKDHEZ-MIGQKNRLSA-N 0 3 286.375 2.819 20 30 CFEDHN CC(C)(C)c1ncc(CNCCc2ccc(C#N)cc2)cn1 ZINC000594956722 349527909 /nfs/dbraw/zinc/52/79/09/349527909.db2.gz ZMFVNJMOSSRSLV-UHFFFAOYSA-N 0 3 294.402 2.978 20 30 CFEDHN N#Cc1ccc(CCNCc2cnc(C3CC3)nc2)cc1 ZINC000594956718 349527954 /nfs/dbraw/zinc/52/79/54/349527954.db2.gz ZGZMNMMEFVOMJI-UHFFFAOYSA-N 0 3 278.359 2.558 20 30 CFEDHN CC(C)(C)N1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000594957148 349528914 /nfs/dbraw/zinc/52/89/14/349528914.db2.gz OLFLCUMIXFYBBC-AWEZNQCLSA-N 0 3 275.371 2.660 20 30 CFEDHN C=CCCSCCNCc1cnnn1-c1ccccc1 ZINC000594968550 349534764 /nfs/dbraw/zinc/53/47/64/349534764.db2.gz RWXLIJUXKYBHDM-UHFFFAOYSA-N 0 3 288.420 2.666 20 30 CFEDHN C[C@H]1c2ccccc2C[C@H]1NCc1nc(C#N)cs1 ZINC000594970465 349535787 /nfs/dbraw/zinc/53/57/87/349535787.db2.gz GWAZMPOTYWJLKX-IINYFYTJSA-N 0 3 269.373 2.833 20 30 CFEDHN C[C@H]1CCC[C@@H](CNCc2ccc(C#N)cc2F)O1 ZINC000594982619 349537587 /nfs/dbraw/zinc/53/75/87/349537587.db2.gz BURUYDHZHFJQQF-FZMZJTMJSA-N 0 3 262.328 2.745 20 30 CFEDHN CC1(C)[C@@H](CNCc2cnc3ccc(C#N)cn23)C1(F)F ZINC000594991913 349541261 /nfs/dbraw/zinc/54/12/61/349541261.db2.gz NISHTVUFBNJNHL-GFCCVEGCSA-N 0 3 290.317 2.587 20 30 CFEDHN CO[C@@]1(C)C[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594994539 349542377 /nfs/dbraw/zinc/54/23/77/349542377.db2.gz HOWOGYQPDYWLNV-CABCVRRESA-N 0 3 256.349 2.509 20 30 CFEDHN CN1c2ccccc2C[C@@H](NC2CCC(C)(C#N)CC2)C1=O ZINC000595058343 349569244 /nfs/dbraw/zinc/56/92/44/349569244.db2.gz ABPNDBKNTIPKDN-SWKXRBFHSA-N 0 3 297.402 2.636 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCCn2nccc21 ZINC000595037654 349559246 /nfs/dbraw/zinc/55/92/46/349559246.db2.gz BGJZGMMYFNLCCP-JKSUJKDBSA-N 0 3 278.359 2.867 20 30 CFEDHN CCCN1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000595097128 349580415 /nfs/dbraw/zinc/58/04/15/349580415.db2.gz PTRGEMBXLAERMS-JSGCOSHPSA-N 0 3 275.371 2.832 20 30 CFEDHN CCCN1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000595097127 349580492 /nfs/dbraw/zinc/58/04/92/349580492.db2.gz PTRGEMBXLAERMS-GXTWGEPZSA-N 0 3 275.371 2.832 20 30 CFEDHN C[C@H]1CC[C@@](C)(CNC(=O)[C@@H](N)CCCCC#N)C1(C)C ZINC000595255562 349587927 /nfs/dbraw/zinc/58/79/27/349587927.db2.gz FGUBGTBDYHQZBW-ZQIUZPCESA-N 0 3 293.455 2.976 20 30 CFEDHN C[C@H]1C[C@H](CNC(=O)[C@H](N)CCCCC#N)C[C@@H](C)C1 ZINC000595257063 349588002 /nfs/dbraw/zinc/58/80/02/349588002.db2.gz PHDIOAJZGVCHQY-CBBWQLFWSA-N 0 3 279.428 2.586 20 30 CFEDHN CCCCC[C@H]1CCCCN1C(=O)[C@@H](N)CCCC#N ZINC000595258283 349588035 /nfs/dbraw/zinc/58/80/35/349588035.db2.gz BHIGSUIDJFYCBQ-GJZGRUSLSA-N 0 3 279.428 2.969 20 30 CFEDHN N#Cc1ccc(CCNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000595255634 349588089 /nfs/dbraw/zinc/58/80/89/349588089.db2.gz HBIVKKTXGACSBR-KRWDZBQOSA-N 0 3 299.418 2.515 20 30 CFEDHN CC(C)OC1CCN(CCc2ccc(C#N)cc2)CC1 ZINC000595312367 349599993 /nfs/dbraw/zinc/59/99/93/349599993.db2.gz LKBYURFFUGXVPH-UHFFFAOYSA-N 0 3 272.392 2.990 20 30 CFEDHN CCO[C@H]1CCCN(CCc2ccc(C#N)cc2)C1 ZINC000595323034 349602569 /nfs/dbraw/zinc/60/25/69/349602569.db2.gz VKUJWWRHXQPKPX-INIZCTEOSA-N 0 3 258.365 2.602 20 30 CFEDHN N#Cc1ccc(N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)nc1 ZINC000595295633 349595074 /nfs/dbraw/zinc/59/50/74/349595074.db2.gz NOJHALFCTSQQSV-OIISXLGYSA-N 0 3 296.418 2.511 20 30 CFEDHN COc1ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1C#N ZINC000273098876 192042017 /nfs/dbraw/zinc/04/20/17/192042017.db2.gz VHIKLCGDXQTZFE-SJORKVTESA-N 0 3 286.375 2.614 20 30 CFEDHN N#Cc1ccc(CCN2CCc3ccccc3[C@@H]2CO)cc1 ZINC000595381700 349613586 /nfs/dbraw/zinc/61/35/86/349613586.db2.gz YSLHJYLLVDFQIW-IBGZPJMESA-N 0 3 292.382 2.692 20 30 CFEDHN CCC(CC)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000595399293 349617314 /nfs/dbraw/zinc/61/73/14/349617314.db2.gz VCMAKAFPHBUPAI-OAHLLOKOSA-N 0 3 251.418 2.588 20 30 CFEDHN C[C@@]1(NCc2cccc(C#N)c2)CCO[C@@H]1C1CC1 ZINC000273103894 192044942 /nfs/dbraw/zinc/04/49/42/192044942.db2.gz WFECCGGNSNKQQG-HZPDHXFCSA-N 0 3 256.349 2.605 20 30 CFEDHN C[C@H]1COC(C)(C)CN1CCc1ccc(C#N)cc1 ZINC000595459537 349633716 /nfs/dbraw/zinc/63/37/16/349633716.db2.gz APMYQCVGEJJFFZ-ZDUSSCGKSA-N 0 3 258.365 2.600 20 30 CFEDHN CO[C@H](CN(C)[C@H](C)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000595551162 349657368 /nfs/dbraw/zinc/65/73/68/349657368.db2.gz VUDMDPZVEAYTEF-KBRIMQKVSA-N 0 3 288.391 2.603 20 30 CFEDHN N#Cc1ccc(OCCN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595564314 349661640 /nfs/dbraw/zinc/66/16/40/349661640.db2.gz ZDZOAHXXBKIRHF-HOCLYGCPSA-N 0 3 256.349 2.811 20 30 CFEDHN CN(C)c1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595615296 349677550 /nfs/dbraw/zinc/67/75/50/349677550.db2.gz PSDVUQKNDRQGLG-AWEZNQCLSA-N 0 3 257.381 2.878 20 30 CFEDHN N#Cc1sccc1N1CCN(CC2CCCC2)CC1 ZINC000595629644 349683071 /nfs/dbraw/zinc/68/30/71/349683071.db2.gz HVQKQSSRRLRCSY-UHFFFAOYSA-N 0 3 275.421 2.932 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2cccc(C(=O)OC)n2)C1 ZINC000595658976 349692390 /nfs/dbraw/zinc/69/23/90/349692390.db2.gz LFUYRPHWBVGGNR-CYBMUJFWSA-N 0 3 274.364 2.656 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000595670584 349695706 /nfs/dbraw/zinc/69/57/06/349695706.db2.gz FFJUOPZULTXPIU-BBRMVZONSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H](CO)[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000595670266 349696055 /nfs/dbraw/zinc/69/60/55/349696055.db2.gz ACPDOSSFRCDNGX-CZUORRHYSA-N 0 3 258.365 2.541 20 30 CFEDHN COc1ccc2c(c1)CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595758714 349725214 /nfs/dbraw/zinc/72/52/14/349725214.db2.gz DYCOAYPWGQBDPB-DOMZBBRYSA-N 0 3 256.349 2.746 20 30 CFEDHN C[C@@H]1COC2(CCCC2)CN1CCC(C)(C)C#N ZINC000595810475 349737539 /nfs/dbraw/zinc/73/75/39/349737539.db2.gz XXWXMXGBWBYQQK-CYBMUJFWSA-N 0 3 250.386 2.960 20 30 CFEDHN CC(C)CC1(N[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000595831004 349745843 /nfs/dbraw/zinc/74/58/43/349745843.db2.gz JQNNXAKIEGWJMQ-MRXNPFEDSA-N 0 3 297.402 2.832 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000595765597 349727369 /nfs/dbraw/zinc/72/73/69/349727369.db2.gz JQUSOWPLUGKPHF-CYBMUJFWSA-N 0 3 259.309 2.745 20 30 CFEDHN N#Cc1cc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)ccn1 ZINC000595788946 349733691 /nfs/dbraw/zinc/73/36/91/349733691.db2.gz OMVGCUBBLIPOCG-RDJZCZTQSA-N 0 3 285.391 2.734 20 30 CFEDHN CN(C[C@@H]1CC1(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595908604 349766429 /nfs/dbraw/zinc/76/64/29/349766429.db2.gz IUSVEIAWASTQRB-HOCLYGCPSA-N 0 3 297.402 2.641 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H](C3CCC3)C2)ccn1 ZINC000595838289 349749159 /nfs/dbraw/zinc/74/91/59/349749159.db2.gz UTMFOYFVRILELU-OAHLLOKOSA-N 0 3 255.365 2.965 20 30 CFEDHN COc1cccc(C2(NCCOCCC#N)CCC2)c1 ZINC000595846904 349754188 /nfs/dbraw/zinc/75/41/88/349754188.db2.gz DCDSGLQVMRKBQQ-UHFFFAOYSA-N 0 3 274.364 2.594 20 30 CFEDHN CC(C)NC(=O)[C@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000595852197 349754971 /nfs/dbraw/zinc/75/49/71/349754971.db2.gz YSMYHLDFXRRBOP-YOEHRIQHSA-N 0 3 299.418 2.856 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)C[C@H]1CC1(C)C ZINC000595915479 349769117 /nfs/dbraw/zinc/76/91/17/349769117.db2.gz ZRQHBHXTCDDOPW-UONOGXRCSA-N 0 3 291.439 2.695 20 30 CFEDHN CC[C@H](N[C@@H](C)C(=O)NC(C)C)c1ccc(C#N)cc1 ZINC000414328581 529648802 /nfs/dbraw/zinc/64/88/02/529648802.db2.gz AQEXGBFSRFVOJU-WFASDCNBSA-N 0 3 273.380 2.512 20 30 CFEDHN N#Cc1cc2cccnc2nc1NC1CCN(C2CC2)CC1 ZINC000596067493 349786260 /nfs/dbraw/zinc/78/62/60/349786260.db2.gz YTAQQTKXRKOAJR-UHFFFAOYSA-N 0 3 293.374 2.540 20 30 CFEDHN C[C@@H]1C[C@@H](N(C)c2nc(C#N)c(Cl)s2)CCN1C ZINC000596137799 349805079 /nfs/dbraw/zinc/80/50/79/349805079.db2.gz XEFUZMZCYUSLGA-BDAKNGLRSA-N 0 3 284.816 2.587 20 30 CFEDHN C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001085137668 781922486 /nfs/dbraw/zinc/92/24/86/781922486.db2.gz ALRNZZOIPHIASR-HUUCEWRRSA-N 0 3 288.391 2.599 20 30 CFEDHN CN1CC[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329989251 529803111 /nfs/dbraw/zinc/80/31/11/529803111.db2.gz HUWKXZJDEVUKES-LLVKDONJSA-N 0 3 277.368 2.589 20 30 CFEDHN C=C[C@H](CC(=O)N1CCC[C@@H]1CN(C)C)c1ccccc1 ZINC000270312476 190645225 /nfs/dbraw/zinc/64/52/25/190645225.db2.gz RHTUXHKXNWRQRR-NVXWUHKLSA-N 0 3 286.419 2.899 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3nc(C#N)c(Cl)s3)C2)C1 ZINC000596245432 349839123 /nfs/dbraw/zinc/83/91/23/349839123.db2.gz YUOFCWGBAVNGNS-CYBMUJFWSA-N 0 3 296.827 2.590 20 30 CFEDHN CCN1CCCN(c2nc(C#N)c(Cl)s2)[C@H](C)C1 ZINC000596268012 349848247 /nfs/dbraw/zinc/84/82/47/349848247.db2.gz BNRCOBUPTBZHFH-SECBINFHSA-N 0 3 284.816 2.589 20 30 CFEDHN Cc1ccnc(NC[C@H]2CCN2C(C)(C)C)c1C#N ZINC000596307351 349858533 /nfs/dbraw/zinc/85/85/33/349858533.db2.gz LBYSZVLHALELIH-GFCCVEGCSA-N 0 3 258.369 2.546 20 30 CFEDHN CC(C)(C)N1CC[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000596307798 349859119 /nfs/dbraw/zinc/85/91/19/349859119.db2.gz PDWFQHNMUSMWGL-LBPRGKRZSA-N 0 3 295.390 2.786 20 30 CFEDHN Cc1ccc(C#N)nc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000596297604 349856254 /nfs/dbraw/zinc/85/62/54/349856254.db2.gz RWYWPAMDRVNQOZ-HUUCEWRRSA-N 0 3 270.380 2.691 20 30 CFEDHN CCN(CC)[C@H](C)CNc1cc(C(C)=O)ccc1C#N ZINC000273181532 192067351 /nfs/dbraw/zinc/06/73/51/192067351.db2.gz HDDOSICOURMSKR-GFCCVEGCSA-N 0 3 273.380 2.903 20 30 CFEDHN Cc1cc(F)cc2c1ncc(C#N)c2N(C)CC1CN(C)C1 ZINC000596452920 349907065 /nfs/dbraw/zinc/90/70/65/349907065.db2.gz INHOEDVLLFDTLU-UHFFFAOYSA-N 0 3 298.365 2.552 20 30 CFEDHN N#CCSCCCN1CC[C@H](Oc2ccccc2)C1 ZINC000074990989 347046675 /nfs/dbraw/zinc/04/66/75/347046675.db2.gz SFXZPMRHGVJCPV-HNNXBMFYSA-N 0 3 276.405 2.787 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCS1)C(C)C ZINC000075199969 347059772 /nfs/dbraw/zinc/05/97/72/347059772.db2.gz DVQJZLQMKXISLX-GJZGRUSLSA-N 0 3 296.480 2.697 20 30 CFEDHN CCN(CC)CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000075535967 347083058 /nfs/dbraw/zinc/08/30/58/347083058.db2.gz QOFKRJBNONDUHB-IRXDYDNUSA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCNC(=O)CNc1c(C)c(C)nc2ccccc21 ZINC000273272606 192095098 /nfs/dbraw/zinc/09/50/98/192095098.db2.gz CAUZGPJRVPZZQD-UHFFFAOYSA-N 0 3 269.348 2.566 20 30 CFEDHN Cc1cc(NC[C@H]2CCN2Cc2ccccc2)cc(C#N)n1 ZINC000596559089 349941668 /nfs/dbraw/zinc/94/16/68/349941668.db2.gz WGDYMZINXILBSL-GOSISDBHSA-N 0 3 292.386 2.948 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)c2cc(C#N)cs2)c1 ZINC000176939900 232345633 /nfs/dbraw/zinc/34/56/33/232345633.db2.gz XVYXFZNVBSTFOH-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN N#Cc1ccccc1CN[C@H](CCO)C1CCCCC1 ZINC000270651752 190758778 /nfs/dbraw/zinc/75/87/78/190758778.db2.gz LZVQVMIFTANWOU-QGZVFWFLSA-N 0 3 272.392 2.979 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000677048499 539533049 /nfs/dbraw/zinc/53/30/49/539533049.db2.gz ZJOOIXBTAQMVNI-ZDUSSCGKSA-N 0 3 290.432 2.744 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000668492437 539533247 /nfs/dbraw/zinc/53/32/47/539533247.db2.gz ANGJXOBUDMQMPO-LBPRGKRZSA-N 0 3 265.426 2.997 20 30 CFEDHN CCOC[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000313464519 260296347 /nfs/dbraw/zinc/29/63/47/260296347.db2.gz BPVLGHQCXZMWSX-INIZCTEOSA-N 0 3 258.365 2.949 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc1F ZINC000041562968 346352597 /nfs/dbraw/zinc/35/25/97/346352597.db2.gz INHBRWAIZOSCOL-GFCCVEGCSA-N 0 3 299.305 2.731 20 30 CFEDHN Cc1cccc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000041574039 346352622 /nfs/dbraw/zinc/35/26/22/346352622.db2.gz UBQZUNFGMUXFLS-AWEZNQCLSA-N 0 3 265.316 2.892 20 30 CFEDHN CCCCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000047010684 346442012 /nfs/dbraw/zinc/44/20/12/346442012.db2.gz LRNQOQBLRPUXGH-UHFFFAOYSA-N 0 3 287.407 2.639 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CCCOCC)C(C)C ZINC000047851765 346458860 /nfs/dbraw/zinc/45/88/60/346458860.db2.gz IVNMUDJRNHLMTE-MRXNPFEDSA-N 0 3 296.455 2.618 20 30 CFEDHN CN(C)CCOc1ccc(-c2ccc(C#N)cc2CO)cc1 ZINC000596634242 349963831 /nfs/dbraw/zinc/96/38/31/349963831.db2.gz GUYMRIREOMXCQX-UHFFFAOYSA-N 0 3 296.370 2.658 20 30 CFEDHN CC(C)(C)[C@@H](CO)NCc1ccc(C#N)cc1OC(F)F ZINC000444671822 535047936 /nfs/dbraw/zinc/04/79/36/535047936.db2.gz JXBZCUGIQVXLSQ-CYBMUJFWSA-N 0 3 298.333 2.656 20 30 CFEDHN CCCCCN(CC(=O)N[C@](C)(C#N)C(C)C)C(C)C ZINC000051709066 346506015 /nfs/dbraw/zinc/50/60/15/346506015.db2.gz XOLTYXAWHVFDPV-MRXNPFEDSA-N 0 3 281.444 2.941 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000063726091 346708009 /nfs/dbraw/zinc/70/80/09/346708009.db2.gz KIPWKYFXUCDPKD-UHFFFAOYSA-N 0 3 285.391 2.505 20 30 CFEDHN CC[C@@H]1CCCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000066405460 346758698 /nfs/dbraw/zinc/75/86/98/346758698.db2.gz DCGJOYNWVUBGRZ-OAHLLOKOSA-N 0 3 291.439 2.936 20 30 CFEDHN CCN(CCC#N)CC1CCN(c2ccccn2)CC1 ZINC000076108523 347120410 /nfs/dbraw/zinc/12/04/10/347120410.db2.gz BNHBROGQNVGJKG-UHFFFAOYSA-N 0 3 272.396 2.534 20 30 CFEDHN C[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000076110985 347121276 /nfs/dbraw/zinc/12/12/76/347121276.db2.gz HFSGCNUODBMTFN-TXEJJXNPSA-N 0 3 282.347 2.696 20 30 CFEDHN C=CCCCN(C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000076975326 347162980 /nfs/dbraw/zinc/16/29/80/347162980.db2.gz LUMKFDMYWYDUBU-HNNXBMFYSA-N 0 3 281.444 2.859 20 30 CFEDHN N#Cc1cc(CN2CCc3ccccc3CC2)ccn1 ZINC000079571910 347313026 /nfs/dbraw/zinc/31/30/26/347313026.db2.gz RFBOKFRBPUMRPJ-UHFFFAOYSA-N 0 3 263.344 2.554 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)Cc1cccc(O)c1 ZINC000080922790 347385634 /nfs/dbraw/zinc/38/56/34/347385634.db2.gz IZBGQMFJBUXAAE-UHFFFAOYSA-N 0 3 282.343 2.775 20 30 CFEDHN N#CCCCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000084134306 347457552 /nfs/dbraw/zinc/45/75/52/347457552.db2.gz DMMKJJWBVOLNPT-MRXNPFEDSA-N 0 3 258.365 2.624 20 30 CFEDHN N#Cc1ccccc1NC(=O)CCN1CCC12CCC2 ZINC000081545283 347425717 /nfs/dbraw/zinc/42/57/17/347425717.db2.gz LYNBDPKLASASKJ-UHFFFAOYSA-N 0 3 269.348 2.515 20 30 CFEDHN CC1CCC(O)(CNCC#Cc2ccccc2)CC1 ZINC000087061866 347490777 /nfs/dbraw/zinc/49/07/77/347490777.db2.gz VGSOFPUWIFBZMU-UHFFFAOYSA-N 0 3 257.377 2.569 20 30 CFEDHN CC1CCC(O)(CNCc2ccc(C#N)cc2F)CC1 ZINC000087062085 347490880 /nfs/dbraw/zinc/49/08/80/347490880.db2.gz HKUNJIDZMIYYPS-UHFFFAOYSA-N 0 3 276.355 2.728 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2ccccn2)CC1 ZINC000091508049 347591493 /nfs/dbraw/zinc/59/14/93/347591493.db2.gz SNJUFZMAXHMLGX-OAHLLOKOSA-N 0 3 259.397 2.948 20 30 CFEDHN C[C@H]1C[C@@H](N(C)c2snc(Cl)c2C#N)CCN1C ZINC000092656973 347637705 /nfs/dbraw/zinc/63/77/05/347637705.db2.gz SMRRFJDJVFWUHT-IUCAKERBSA-N 0 3 284.816 2.587 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746998 347644281 /nfs/dbraw/zinc/64/42/81/347644281.db2.gz VLVPMEYJUVHRSR-ZDUSSCGKSA-N 0 3 277.387 2.912 20 30 CFEDHN CC(C)(CCC#N)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000093766916 347682621 /nfs/dbraw/zinc/68/26/21/347682621.db2.gz WFAWBJIEZLKFOP-LBPRGKRZSA-N 0 3 292.345 2.952 20 30 CFEDHN CCC(C)(C)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000093279401 347666776 /nfs/dbraw/zinc/66/67/76/347666776.db2.gz GDACZBJQTJOSQM-UHFFFAOYSA-N 0 3 256.353 2.826 20 30 CFEDHN C=CCN(CCCc1cnn(C)c1)Cc1cccc(C#N)c1 ZINC000119653210 347803142 /nfs/dbraw/zinc/80/31/42/347803142.db2.gz SMCQBWZHTREADL-UHFFFAOYSA-N 0 3 294.402 2.913 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC2(CCCC2)CC1 ZINC000158443619 348006989 /nfs/dbraw/zinc/00/69/89/348006989.db2.gz RFGRYZCTYNYWRU-OAHLLOKOSA-N 0 3 291.439 2.651 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159701560 348014500 /nfs/dbraw/zinc/01/45/00/348014500.db2.gz OVYXUFXCDPMIRL-ZBFHGGJFSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000154391908 347980244 /nfs/dbraw/zinc/98/02/44/347980244.db2.gz SBSSXGJEOCZXSC-INIZCTEOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCN1CCC(NC(=O)N(CC(C)C)CC(C)C)CC1 ZINC000171740371 348079759 /nfs/dbraw/zinc/07/97/59/348079759.db2.gz FIGMFJRWLLZIPW-UHFFFAOYSA-N 0 3 295.471 2.960 20 30 CFEDHN COC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000166225107 348041782 /nfs/dbraw/zinc/04/17/82/348041782.db2.gz SBROXNBZNZYBGF-INIZCTEOSA-N 0 3 286.375 2.784 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000185105384 348128471 /nfs/dbraw/zinc/12/84/71/348128471.db2.gz RVNNKFSQTXXQLK-CQSZACIVSA-N 0 3 274.408 2.967 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2(C)CCCCC2)CC1 ZINC000172185622 348088002 /nfs/dbraw/zinc/08/80/02/348088002.db2.gz UFAIRHSWIZZKIG-UHFFFAOYSA-N 0 3 279.428 2.659 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC[C@H](C)C#N)C1 ZINC000248567492 348274795 /nfs/dbraw/zinc/27/47/95/348274795.db2.gz BZBAUFMUPTVFCH-FMKPAKJESA-N 0 3 257.381 2.571 20 30 CFEDHN CCN1CCN(c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000250228634 348286691 /nfs/dbraw/zinc/28/66/91/348286691.db2.gz FVKOEOJAJPCRFA-LLVKDONJSA-N 0 3 263.772 2.742 20 30 CFEDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc(CC#N)c1 ZINC000264868503 348318814 /nfs/dbraw/zinc/31/88/14/348318814.db2.gz AAYXQDWQKOFLDQ-QGZVFWFLSA-N 0 3 299.418 2.747 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000323548888 348438071 /nfs/dbraw/zinc/43/80/71/348438071.db2.gz AGXJILHTXMITIZ-RDJZCZTQSA-N 0 3 299.418 2.517 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000354591912 348501664 /nfs/dbraw/zinc/50/16/64/348501664.db2.gz BFMPYXOSRWTTIH-HNNXBMFYSA-N 0 3 299.418 2.904 20 30 CFEDHN Cc1csc(CN[C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)n1 ZINC000372921983 348519372 /nfs/dbraw/zinc/51/93/72/348519372.db2.gz AFNYWSBEFKLBCP-RQJABVFESA-N 0 3 291.420 2.781 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)CCN1CC1(CC#N)CC1 ZINC000383103324 348530630 /nfs/dbraw/zinc/53/06/30/348530630.db2.gz DJLOJMQIUJSHIP-MRXNPFEDSA-N 0 3 283.419 2.887 20 30 CFEDHN CC[C@@H](C#N)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000383075293 348531209 /nfs/dbraw/zinc/53/12/09/348531209.db2.gz VEDGRQWOHIGYPU-WBVHZDCISA-N 0 3 299.418 2.659 20 30 CFEDHN CCN(Cc1ccc(C#N)c(OC)c1)[C@H]1CCCOC1 ZINC000402850666 348583248 /nfs/dbraw/zinc/58/32/48/348583248.db2.gz SJYJSUYSVJNSBA-HNNXBMFYSA-N 0 3 274.364 2.568 20 30 CFEDHN CCO[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000399057525 348568721 /nfs/dbraw/zinc/56/87/21/348568721.db2.gz XSHSZVSJNPKPBN-INIZCTEOSA-N 0 3 258.365 2.754 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCCC(C)(C)C1 ZINC000446066238 348618238 /nfs/dbraw/zinc/61/82/38/348618238.db2.gz JRHCXQQCMKOSGD-WMLDXEAASA-N 0 3 293.455 2.941 20 30 CFEDHN C=CC[C@H]1N(C(=O)/C=C\CN(C)C)CCCC1(C)C ZINC000492955845 348632938 /nfs/dbraw/zinc/63/29/38/348632938.db2.gz QAUWEXYVXKXZBA-JKEYDSJLSA-N 0 3 264.413 2.698 20 30 CFEDHN N#CCC[C@H](NCC1(O)CCCC1)c1ccccc1 ZINC000584586245 348680321 /nfs/dbraw/zinc/68/03/21/348680321.db2.gz RCGQGEHRUTWBJH-HNNXBMFYSA-N 0 3 258.365 2.926 20 30 CFEDHN N#CCCCCCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000588157296 348774385 /nfs/dbraw/zinc/77/43/85/348774385.db2.gz BVJWYLABGZEWGV-HNNXBMFYSA-N 0 3 277.412 2.547 20 30 CFEDHN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1cn[nH]c1 ZINC000585726665 348740267 /nfs/dbraw/zinc/74/02/67/348740267.db2.gz YYGOSOVCGGOJCF-BONVTDFDSA-N 0 3 252.321 2.619 20 30 CFEDHN C[C@H](NCc1ccc(C#N)cc1F)[C@@]1(C)CCCO1 ZINC000585726027 348740599 /nfs/dbraw/zinc/74/05/99/348740599.db2.gz PWYRKQVFWGDQAM-XHDPSFHLSA-N 0 3 262.328 2.745 20 30 CFEDHN Cc1noc([C@@H]2CCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC000585801074 348745258 /nfs/dbraw/zinc/74/52/58/348745258.db2.gz GWUPQIZOWPLVQP-OAHLLOKOSA-N 0 3 282.347 2.548 20 30 CFEDHN Cc1nsc(NC[C@@H](C)N2CCC[C@H](C)C2)c1C#N ZINC000587210550 348761893 /nfs/dbraw/zinc/76/18/93/348761893.db2.gz NXYOOVCNGJZTPF-WDEREUQCSA-N 0 3 278.425 2.856 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CC[C@](O)(C(F)(F)F)C2)s1 ZINC000589938587 348864912 /nfs/dbraw/zinc/86/49/12/348864912.db2.gz ZCBXBGNHYGBZPY-LDYMZIIASA-N 0 3 290.310 2.555 20 30 CFEDHN N#CCCC[C@H](NCc1cn[nH]c1)c1ccccc1 ZINC000590068688 348872678 /nfs/dbraw/zinc/87/26/78/348872678.db2.gz PHWOZNTYFRLMQV-HNNXBMFYSA-N 0 3 254.337 2.934 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2(C#N)CC2)C1 ZINC000590174338 348883088 /nfs/dbraw/zinc/88/30/88/348883088.db2.gz MWWMWFCQBHKQBL-ZBFHGGJFSA-N 0 3 297.402 2.632 20 30 CFEDHN COC[C@@H]1CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590184920 348884059 /nfs/dbraw/zinc/88/40/59/348884059.db2.gz FWUDXTVYXOIFKK-HNNXBMFYSA-N 0 3 258.365 2.708 20 30 CFEDHN CC(C)C[C@H](C)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000590709315 348932446 /nfs/dbraw/zinc/93/24/46/348932446.db2.gz IIZKAQLLEYQHBK-GJZGRUSLSA-N 0 3 251.418 2.587 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000590779337 348947906 /nfs/dbraw/zinc/94/79/06/348947906.db2.gz LLFRZXRAIXBOPU-BBWFWOEESA-N 0 3 268.360 2.869 20 30 CFEDHN C[C@]12CN(C[C@@H](C#N)CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590765077 348944540 /nfs/dbraw/zinc/94/45/40/348944540.db2.gz PTAIYSOHKZFOKD-RBGFHDKUSA-N 0 3 257.381 2.798 20 30 CFEDHN CN1CC[C@H]2[C@H](CCCN2c2nc(C#N)c(Cl)s2)C1 ZINC000590583558 348911260 /nfs/dbraw/zinc/91/12/60/348911260.db2.gz YUXVYHIYGRYHBE-KOLCDFICSA-N 0 3 296.827 2.589 20 30 CFEDHN C=C(C)[C@H](CO)N(CCC)Cc1ccc(C#N)cc1 ZINC000591010957 348977663 /nfs/dbraw/zinc/97/76/63/348977663.db2.gz GHRUHHAMTGGAEK-INIZCTEOSA-N 0 3 258.365 2.707 20 30 CFEDHN COc1ccc(CN(C)[C@H](C)CCC#N)cc1OC ZINC000591010681 348977696 /nfs/dbraw/zinc/97/76/96/348977696.db2.gz LNVWLCANRALJKH-GFCCVEGCSA-N 0 3 262.353 2.828 20 30 CFEDHN CCN1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000591021145 348979282 /nfs/dbraw/zinc/97/92/82/348979282.db2.gz SVJOTFVBKYEEGP-HNNXBMFYSA-N 0 3 263.429 2.877 20 30 CFEDHN N#CC1(CCN2CCC[C@@H]3COC[C@@H]32)CCCCC1 ZINC000591040974 348981405 /nfs/dbraw/zinc/98/14/05/348981405.db2.gz RGRVFMSRHIJOGB-CABCVRRESA-N 0 3 262.397 2.961 20 30 CFEDHN CC1(C)COC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590780040 348949096 /nfs/dbraw/zinc/94/90/96/348949096.db2.gz ZDPSTBLTEXNXNU-HZPDHXFCSA-N 0 3 270.376 2.950 20 30 CFEDHN CC(C)CC[C@H](O)CNCc1ccc(C#N)cc1F ZINC000591733689 349041200 /nfs/dbraw/zinc/04/12/00/349041200.db2.gz FWYQVWLJAVSMTD-AWEZNQCLSA-N 0 3 264.344 2.584 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@H]2CC2(F)F)ccc1C#N ZINC000591266049 349005070 /nfs/dbraw/zinc/00/50/70/349005070.db2.gz RZXFGVYCJHHUKN-JOYOIKCWSA-N 0 3 266.291 2.700 20 30 CFEDHN CC[C@H]1c2ccccc2CCN1C(=O)[C@H](N)CCCC#N ZINC000591614069 349034344 /nfs/dbraw/zinc/03/43/44/349034344.db2.gz GHJYUMAOUJJTRW-CVEARBPZSA-N 0 3 285.391 2.544 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000591659764 349037825 /nfs/dbraw/zinc/03/78/25/349037825.db2.gz DMLBPPKJIXFKSU-JFGNBEQYSA-N 0 3 271.320 2.876 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000591689437 349038485 /nfs/dbraw/zinc/03/84/85/349038485.db2.gz LODOLNWQFPPVHM-INIZCTEOSA-N 0 3 286.379 2.611 20 30 CFEDHN N#CC1(c2ccccn2)CCN(CCC[C@H]2CCOC2)CC1 ZINC000592122092 349086080 /nfs/dbraw/zinc/08/60/80/349086080.db2.gz WWEAOAXOVDJWLO-INIZCTEOSA-N 0 3 299.418 2.755 20 30 CFEDHN N#CC[C@]1(O)CCN(Cc2ccc3ccccc3c2)C1 ZINC000592148082 349091136 /nfs/dbraw/zinc/09/11/36/349091136.db2.gz QTFKSXYWDDMFGW-KRWDZBQOSA-N 0 3 266.344 2.690 20 30 CFEDHN N#CCCCN1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000592169175 349094456 /nfs/dbraw/zinc/09/44/56/349094456.db2.gz XBOCTMYVCSCKPR-IRXDYDNUSA-N 0 3 272.392 2.748 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC[C@@H]1C1CCC1 ZINC000592198708 349097700 /nfs/dbraw/zinc/09/77/00/349097700.db2.gz QDYJWTAGFIUMHB-NVXWUHKLSA-N 0 3 291.439 2.695 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)CC(C)(C)C)CC1 ZINC000592301856 349104807 /nfs/dbraw/zinc/10/48/07/349104807.db2.gz BIAPAUXQUFFSKZ-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C[C@@H](CCN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592522286 349132516 /nfs/dbraw/zinc/13/25/16/349132516.db2.gz KPRDJPNCXNFWSC-GOEBONIOSA-N 0 3 258.365 2.531 20 30 CFEDHN CC[C@H](CN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592523317 349134086 /nfs/dbraw/zinc/13/40/86/349134086.db2.gz YFBVOFRYQZEZFA-ZBFHGGJFSA-N 0 3 258.365 2.531 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccsc2)CC1 ZINC000592526851 349135587 /nfs/dbraw/zinc/13/55/87/349135587.db2.gz PPHYZSQYCPYNKO-UHFFFAOYSA-N 0 3 293.436 2.540 20 30 CFEDHN Cc1cccc(C2(NC(=O)[C@@H](N)CCCC#N)CCC2)c1 ZINC000592566926 349138557 /nfs/dbraw/zinc/13/85/57/349138557.db2.gz DZLCAAGMNNTNDD-HNNXBMFYSA-N 0 3 285.391 2.512 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1CCC12CCCC2 ZINC000593001015 349184126 /nfs/dbraw/zinc/18/41/26/349184126.db2.gz VVNMQKQIYGXKFJ-UHFFFAOYSA-N 0 3 289.404 2.967 20 30 CFEDHN CN(CCN1CCCCC1)Cc1cccc(F)c1C#N ZINC000593112544 349211009 /nfs/dbraw/zinc/21/10/09/349211009.db2.gz OKWHFNLBOWNBRH-UHFFFAOYSA-N 0 3 275.371 2.615 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC12CCCC2 ZINC000593038815 349192504 /nfs/dbraw/zinc/19/25/04/349192504.db2.gz LEKYFAMRUWBABL-UHFFFAOYSA-N 0 3 256.349 2.956 20 30 CFEDHN CCc1ocnc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000329774869 539726787 /nfs/dbraw/zinc/72/67/87/539726787.db2.gz IVWLIBKUXHAUBM-NSHDSACASA-N 0 3 277.368 2.559 20 30 CFEDHN CC[C@H](C#N)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000593640380 349303322 /nfs/dbraw/zinc/30/33/22/349303322.db2.gz FVUYKKYIMZOORX-LZWOXQAQSA-N 0 3 287.407 2.652 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000593410092 349263113 /nfs/dbraw/zinc/26/31/13/349263113.db2.gz IIIMZOBEZOIDMU-JSGCOSHPSA-N 0 3 293.436 2.797 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC2(CSC)CC2)CC1 ZINC000593452767 349273802 /nfs/dbraw/zinc/27/38/02/349273802.db2.gz FKYVVBBNCRQHIY-UHFFFAOYSA-N 0 3 296.480 2.676 20 30 CFEDHN CC[C@H](C#N)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000593469869 349277259 /nfs/dbraw/zinc/27/72/59/349277259.db2.gz IJMIIBTYYAMMJK-GFCCVEGCSA-N 0 3 259.353 2.545 20 30 CFEDHN N#Cc1ccc(C2(NC[C@H]3CCCO3)CCC2)cc1 ZINC000594032385 349357318 /nfs/dbraw/zinc/35/73/18/349357318.db2.gz GDODHZJRLQFJFJ-OAHLLOKOSA-N 0 3 256.349 2.706 20 30 CFEDHN CC(C#N)C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593882844 349332101 /nfs/dbraw/zinc/33/21/01/349332101.db2.gz JZRRVPFBJRNXPV-VIFPVBQESA-N 0 3 282.265 2.970 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NCc1cccc2ccsc21 ZINC000593912698 349334593 /nfs/dbraw/zinc/33/45/93/349334593.db2.gz PWSZTZYWBPFUID-ZDUSSCGKSA-N 0 3 287.388 2.539 20 30 CFEDHN Cn1cc([C@@H]2CN([C@H]3CC[C@H](C#N)C3)CC2(C)C)cn1 ZINC000593998772 349349331 /nfs/dbraw/zinc/34/93/31/349349331.db2.gz YOSYKLQOKAFNJC-QEJZJMRPSA-N 0 3 272.396 2.538 20 30 CFEDHN N#Cc1ccc(C2(NC[C@H](O)CC(F)(F)F)CCC2)cc1 ZINC000594033279 349358635 /nfs/dbraw/zinc/35/86/35/349358635.db2.gz MEONINWRGRPOMY-CYBMUJFWSA-N 0 3 298.308 2.840 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1 ZINC000594003834 349351284 /nfs/dbraw/zinc/35/12/84/349351284.db2.gz BIRSHOMSRUSDLF-CABCVRRESA-N 0 3 272.392 2.737 20 30 CFEDHN C[C@H](NC(=O)CCCCC#N)[C@H](c1ccccc1)N(C)C ZINC000594005017 349351503 /nfs/dbraw/zinc/35/15/03/349351503.db2.gz SYBQTRVYOHZBIE-WMLDXEAASA-N 0 3 287.407 2.878 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)CCCCC#N ZINC000594010942 349352991 /nfs/dbraw/zinc/35/29/91/349352991.db2.gz YFOIMCKCYXADGK-UHFFFAOYSA-N 0 3 273.380 2.813 20 30 CFEDHN CCOC(=O)C1CCC(NCC2(C#N)CCCC2)CC1 ZINC000593652805 349304341 /nfs/dbraw/zinc/30/43/41/349304341.db2.gz ODXHWPVKGHTZJU-UHFFFAOYSA-N 0 3 278.396 2.782 20 30 CFEDHN COCC1CCC(NCC2(C#N)CCCC2)CC1 ZINC000593655008 349306211 /nfs/dbraw/zinc/30/62/11/349306211.db2.gz UWCLHOFPPOVFQR-UHFFFAOYSA-N 0 3 250.386 2.865 20 30 CFEDHN C[C@H](COCC1CC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000593719741 349314841 /nfs/dbraw/zinc/31/48/41/349314841.db2.gz QDSYPRHNQDUFQP-PXAZEXFGSA-N 0 3 270.376 2.950 20 30 CFEDHN CCC(C#N)C(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000593744835 349318854 /nfs/dbraw/zinc/31/88/54/349318854.db2.gz KRRJVYYIUVESAZ-XQQFMLRXSA-N 0 3 294.395 2.505 20 30 CFEDHN CCC(C#N)C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593744696 349318937 /nfs/dbraw/zinc/31/89/37/349318937.db2.gz JDAPAZCRYHJKTM-STQMWFEESA-N 0 3 296.411 2.656 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCC2(C#N)CCCC2)cc1 ZINC000593778284 349324412 /nfs/dbraw/zinc/32/44/12/349324412.db2.gz MPKISVXFOZNBQR-UHFFFAOYSA-N 0 3 285.391 2.562 20 30 CFEDHN CC(C)[C@@H](C(=O)NCC1(C#N)CCCC1)N1CCCCC1 ZINC000593782415 349325861 /nfs/dbraw/zinc/32/58/61/349325861.db2.gz LZEINMRBELDZKQ-HNNXBMFYSA-N 0 3 291.439 2.697 20 30 CFEDHN CC(C)(C)C1CCN(C(=O)[C@H](N)CCCCC#N)CC1 ZINC000594440189 349422475 /nfs/dbraw/zinc/42/24/75/349422475.db2.gz WAFWISNPKFMGCD-CQSZACIVSA-N 0 3 279.428 2.682 20 30 CFEDHN CCC[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594438700 349422619 /nfs/dbraw/zinc/42/26/19/349422619.db2.gz VTFRUKFNUFGCLO-KBPBESRZSA-N 0 3 265.401 2.579 20 30 CFEDHN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594438368 349422802 /nfs/dbraw/zinc/42/28/02/349422802.db2.gz UHNKFRYMJZFWIR-XOKHGSTOSA-N 0 3 299.418 2.837 20 30 CFEDHN C[C@@H]1c2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594445038 349423926 /nfs/dbraw/zinc/42/39/26/349423926.db2.gz NZGRXLWUQBRXAR-DOMZBBRYSA-N 0 3 271.364 2.501 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2ncccc21 ZINC000594446470 349424233 /nfs/dbraw/zinc/42/42/33/349424233.db2.gz UFYYNSLTSJDQFD-CYBMUJFWSA-N 0 3 282.347 2.585 20 30 CFEDHN CC(C)[C@H]1CCCN(C(=O)[C@@H](N)CCCCC#N)CC1 ZINC000594447850 349424884 /nfs/dbraw/zinc/42/48/84/349424884.db2.gz VXVNHVFPOTWYRD-GJZGRUSLSA-N 0 3 279.428 2.682 20 30 CFEDHN Cc1cccc(C2(NC(=O)[C@H](N)CCCCC#N)CCC2)c1 ZINC000594450065 349425437 /nfs/dbraw/zinc/42/54/37/349425437.db2.gz SQNGROLUWYIEFF-MRXNPFEDSA-N 0 3 299.418 2.902 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CC2(CCC2)c2ccccc21 ZINC000594457360 349426359 /nfs/dbraw/zinc/42/63/59/349426359.db2.gz YQVBTHBYLZFMBE-OAHLLOKOSA-N 0 3 297.402 2.866 20 30 CFEDHN C[C@@H](CCNCc1ccc(C(C)(C)C#N)cc1)[S@@](C)=O ZINC000594497920 349430765 /nfs/dbraw/zinc/43/07/65/349430765.db2.gz LJAUPFYYSVEMCX-RNODOKPDSA-N 0 3 292.448 2.734 20 30 CFEDHN C[C@H](CC[S@@](C)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497196 349430996 /nfs/dbraw/zinc/43/09/96/349430996.db2.gz DMGBWOASGZJGGJ-ZUOKHONESA-N 0 3 292.448 2.734 20 30 CFEDHN CC(C)(C#N)c1ccc(CN[C@@H]2CCCOC2)cc1 ZINC000594498821 349431382 /nfs/dbraw/zinc/43/13/82/349431382.db2.gz LNBYGEYNFFRGBM-OAHLLOKOSA-N 0 3 258.365 2.756 20 30 CFEDHN CCC(CC)Nc1ccncc1NC(=O)CC1(C#N)CC1 ZINC000594361673 349411192 /nfs/dbraw/zinc/41/11/92/349411192.db2.gz JHARHXZWUGEZDZ-UHFFFAOYSA-N 0 3 286.379 2.736 20 30 CFEDHN CC(C#N)C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594404956 349415165 /nfs/dbraw/zinc/41/51/65/349415165.db2.gz UREKTWOSTCNJPE-SECBINFHSA-N 0 3 298.264 2.850 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCCC#N)c1ccc(C)cc1 ZINC000594425147 349417089 /nfs/dbraw/zinc/41/70/89/349417089.db2.gz GBHAOADSTIHQOA-CVEARBPZSA-N 0 3 287.407 2.974 20 30 CFEDHN CN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CCCCC#N ZINC000594425325 349417101 /nfs/dbraw/zinc/41/71/01/349417101.db2.gz HKZUGWQPVINYEW-NSHDSACASA-N 0 3 299.827 2.771 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000594426302 349417849 /nfs/dbraw/zinc/41/78/49/349417849.db2.gz OHYVIMMWJWWUSL-OAHLLOKOSA-N 0 3 285.391 2.915 20 30 CFEDHN C[C@H]1c2ccsc2CCN1C(=O)[C@H](N)CCCCC#N ZINC000594425706 349417881 /nfs/dbraw/zinc/41/78/81/349417881.db2.gz LWSJOIQAEDIYDH-WCQYABFASA-N 0 3 291.420 2.605 20 30 CFEDHN Cc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCCC#N ZINC000594426258 349417947 /nfs/dbraw/zinc/41/79/47/349417947.db2.gz ODSQYAIQANREDW-LBPRGKRZSA-N 0 3 279.771 2.998 20 30 CFEDHN Cc1cc2cc(NC(=O)[C@@H](N)CCCCC#N)ccc2[nH]1 ZINC000594427825 349418642 /nfs/dbraw/zinc/41/86/42/349418642.db2.gz JYKJQBGZHWRHNV-AWEZNQCLSA-N 0 3 284.363 2.826 20 30 CFEDHN CSc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594427922 349418678 /nfs/dbraw/zinc/41/86/78/349418678.db2.gz XVIJKYOSHYXKOH-ZDUSSCGKSA-N 0 3 277.393 2.758 20 30 CFEDHN CCC(CC)CN(CC)C(=O)[C@@H](N)CCCCC#N ZINC000594429256 349419488 /nfs/dbraw/zinc/41/94/88/349419488.db2.gz RODFFEVVSAUPDC-AWEZNQCLSA-N 0 3 267.417 2.682 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000594429052 349420183 /nfs/dbraw/zinc/42/01/83/349420183.db2.gz QBQWWEXNHBKZAN-UONOGXRCSA-N 0 3 291.420 2.823 20 30 CFEDHN Cc1ccccc1[C@H](NC(=O)[C@H](N)CCCCC#N)C1CC1 ZINC000594432816 349420794 /nfs/dbraw/zinc/42/07/94/349420794.db2.gz BZRNCMALZATRSF-IAGOWNOFSA-N 0 3 299.418 2.974 20 30 CFEDHN Cc1ccccc1[C@H](NC(=O)[C@@H](N)CCCCC#N)C1CC1 ZINC000594432815 349420926 /nfs/dbraw/zinc/42/09/26/349420926.db2.gz BZRNCMALZATRSF-DLBZAZTESA-N 0 3 299.418 2.974 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000594431672 349420933 /nfs/dbraw/zinc/42/09/33/349420933.db2.gz PODWIPKELJRYLC-CABCVRRESA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@]1(c2ccccc2)CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000594433807 349421692 /nfs/dbraw/zinc/42/16/92/349421692.db2.gz UBOAJENJVYGKSH-AEFFLSMTSA-N 0 3 299.418 2.588 20 30 CFEDHN Cc1cccc2c1CC[C@@H]2NC(=O)[C@H](N)CCCCC#N ZINC000594434509 349421873 /nfs/dbraw/zinc/42/18/73/349421873.db2.gz NWCLTQDHQXWJEO-CVEARBPZSA-N 0 3 285.391 2.510 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000668740253 539744731 /nfs/dbraw/zinc/74/47/31/539744731.db2.gz SCLMFFNMYNVWID-YOEHRIQHSA-N 0 3 275.392 2.702 20 30 CFEDHN C=CCCSCCNCc1cc(OC)c(O)c(OC)c1 ZINC000597185125 350047081 /nfs/dbraw/zinc/04/70/81/350047081.db2.gz RRYFEYLOTLSZDA-UHFFFAOYSA-N 0 3 297.420 2.808 20 30 CFEDHN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1ccc(C#N)s1 ZINC000597238806 350068239 /nfs/dbraw/zinc/06/82/39/350068239.db2.gz JEBLLXHKAJETQW-ZFWWWQNUSA-N 0 3 292.404 2.831 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000597539447 350110093 /nfs/dbraw/zinc/11/00/93/350110093.db2.gz SGQUNNFXVJVVKN-QAPCUYQASA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@H](CC#N)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000597358714 350089079 /nfs/dbraw/zinc/08/90/79/350089079.db2.gz SGQHGKSPXBEJRX-INMHGKMJSA-N 0 3 299.418 2.705 20 30 CFEDHN N#Cc1csc(CNC[C@H](CO)c2ccc(F)cc2)c1 ZINC000414529422 233283952 /nfs/dbraw/zinc/28/39/52/233283952.db2.gz PBDDTPBAXPBWQU-CYBMUJFWSA-N 0 3 290.363 2.625 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)o1 ZINC000414585414 233299293 /nfs/dbraw/zinc/29/92/93/233299293.db2.gz NUCGPVLXQAXNEQ-CYBMUJFWSA-N 0 3 285.322 2.659 20 30 CFEDHN C#CCCCCNCc1ccn(-c2ccccc2)n1 ZINC000091062876 180092689 /nfs/dbraw/zinc/09/26/89/180092689.db2.gz WQPWRFDPOLNPGD-UHFFFAOYSA-N 0 3 253.349 2.765 20 30 CFEDHN N#CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000597907609 350154439 /nfs/dbraw/zinc/15/44/39/350154439.db2.gz FWIXHFKBBMIEIT-GDBMZVCRSA-N 0 3 289.423 2.546 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597951042 350161051 /nfs/dbraw/zinc/16/10/51/350161051.db2.gz VHHZGASBNZSOQS-OKILXGFUSA-N 0 3 299.418 2.782 20 30 CFEDHN CC(C)c1ccc2c(c1)CN(C(=O)C(C)C#N)CC2 ZINC000597962386 350163531 /nfs/dbraw/zinc/16/35/31/350163531.db2.gz DXPYPMPXXYNWPZ-LBPRGKRZSA-N 0 3 256.349 2.854 20 30 CFEDHN CC(C#N)C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000598117639 350200863 /nfs/dbraw/zinc/20/08/63/350200863.db2.gz WJBWRKLTXJRRHK-LLVKDONJSA-N 0 3 297.383 2.854 20 30 CFEDHN COc1ccc([C@@H]2CCCN2C(=O)C(C)C#N)cc1F ZINC000598197361 350211987 /nfs/dbraw/zinc/21/19/87/350211987.db2.gz VWSQMSXXZYAJPR-MFKMUULPSA-N 0 3 276.311 2.657 20 30 CFEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000598385582 350254488 /nfs/dbraw/zinc/25/44/88/350254488.db2.gz MDQXFPMRLJBPOJ-LBPRGKRZSA-N 0 3 296.411 2.753 20 30 CFEDHN CCC(C#N)C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000598385581 350254652 /nfs/dbraw/zinc/25/46/52/350254652.db2.gz MDQXFPMRLJBPOJ-GFCCVEGCSA-N 0 3 296.411 2.753 20 30 CFEDHN COCCNc1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000105463987 186058814 /nfs/dbraw/zinc/05/88/14/186058814.db2.gz KKRKMULNTUAENY-UHFFFAOYSA-N 0 3 295.386 2.906 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H]1c1ccc(Br)cc1 ZINC000598426138 350267726 /nfs/dbraw/zinc/26/77/26/350267726.db2.gz YCSUFLWHKLKJKB-SKDRFNHKSA-N 0 3 293.164 2.882 20 30 CFEDHN CC(C#N)C(=O)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598499515 350276965 /nfs/dbraw/zinc/27/69/65/350276965.db2.gz JIADNBQZHYDYSY-CYBMUJFWSA-N 0 3 282.343 2.613 20 30 CFEDHN COc1ccccc1C1(NC[C@H](O)CC(C)(C)C#N)CC1 ZINC000598624912 350296561 /nfs/dbraw/zinc/29/65/61/350296561.db2.gz LSSQWRBVADVBAS-CYBMUJFWSA-N 0 3 288.391 2.575 20 30 CFEDHN Cc1cc(CN2CC(C)(C)CC[C@@H]2CO)ccc1C#N ZINC000598650029 350302484 /nfs/dbraw/zinc/30/24/84/350302484.db2.gz XJMDKZWAUJDFBT-MRXNPFEDSA-N 0 3 272.392 2.850 20 30 CFEDHN CC(=O)N1CC[C@H](NCC2(CC#N)CC2)c2ccccc21 ZINC000598678961 350309378 /nfs/dbraw/zinc/30/93/78/350309378.db2.gz BMYAWJJIXUSEJR-HNNXBMFYSA-N 0 3 283.375 2.768 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCOc2ccccc21 ZINC000598719844 350317009 /nfs/dbraw/zinc/31/70/09/350317009.db2.gz JXXFPBYPDOIQBD-UKRRQHHQSA-N 0 3 288.391 2.791 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN(Cc1ccccc1)C1CC1 ZINC000598586251 350286574 /nfs/dbraw/zinc/28/65/74/350286574.db2.gz FXCXVEKTVUFVQH-MRXNPFEDSA-N 0 3 272.392 2.952 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCCc2sccc2C1 ZINC000598589949 350287289 /nfs/dbraw/zinc/28/72/89/350287289.db2.gz VYUCGBPLPQUSNS-CYBMUJFWSA-N 0 3 278.421 2.797 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H]1c1ccccc1 ZINC000598591413 350288309 /nfs/dbraw/zinc/28/83/09/350288309.db2.gz AVWUOGOTRRJUHH-CABCVRRESA-N 0 3 258.365 2.734 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@@H]1c1ccco1 ZINC000598591825 350288364 /nfs/dbraw/zinc/28/83/64/350288364.db2.gz CMMPFPWQPHSIFT-QWHCGFSZSA-N 0 3 262.353 2.717 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H]1c1ccccn1 ZINC000598592910 350289078 /nfs/dbraw/zinc/28/90/78/350289078.db2.gz NBICXPDWCDIQHZ-ZFWWWQNUSA-N 0 3 273.380 2.519 20 30 CFEDHN CC[C@@H](c1ccncc1)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598598682 350290323 /nfs/dbraw/zinc/29/03/23/350290323.db2.gz IOGFMWBKJQDAFM-GJZGRUSLSA-N 0 3 275.396 2.765 20 30 CFEDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C[C@H](O)CC(C)(C)C#N ZINC000598600279 350290826 /nfs/dbraw/zinc/29/08/26/350290826.db2.gz AJVQCXPXLHNLSF-IJLUTSLNSA-N 0 3 292.345 2.950 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000598607872 350292897 /nfs/dbraw/zinc/29/28/97/350292897.db2.gz DCTRAJCEJHXXGW-GHMZBOCLSA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1ccc2c(c1)CCN(C[C@@H](O)CC(C)(C)C#N)C2 ZINC000598614415 350293394 /nfs/dbraw/zinc/29/33/94/350293394.db2.gz DGBZLYYGWLZZCL-INIZCTEOSA-N 0 3 272.392 2.654 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000598615786 350293693 /nfs/dbraw/zinc/29/36/93/350293693.db2.gz LKLNNJCSEXAFQN-GHMZBOCLSA-N 0 3 292.345 2.950 20 30 CFEDHN COCC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598612992 350293720 /nfs/dbraw/zinc/29/37/20/350293720.db2.gz UJLZZVODXMXGQJ-ZIAGYGMSSA-N 0 3 294.395 2.556 20 30 CFEDHN COCC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598612991 350293761 /nfs/dbraw/zinc/29/37/61/350293761.db2.gz UJLZZVODXMXGQJ-UONOGXRCSA-N 0 3 294.395 2.556 20 30 CFEDHN Cn1ncc(C(F)(F)F)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000599058890 350367143 /nfs/dbraw/zinc/36/71/43/350367143.db2.gz HIWAGCOHSPGHGH-VHSXEESVSA-N 0 3 286.301 2.611 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)n1)[C@@H](c1ccccc1)N(C)C ZINC000598894899 350345460 /nfs/dbraw/zinc/34/54/60/350345460.db2.gz IHIFDTBEABXWAU-KDOFPFPSSA-N 0 3 294.402 2.734 20 30 CFEDHN CC(C)c1ncc2c(n1)CCN(CCCSCC#N)C2 ZINC000598937825 350347662 /nfs/dbraw/zinc/34/76/62/350347662.db2.gz SFURNQCTQVAOOQ-UHFFFAOYSA-N 0 3 290.436 2.605 20 30 CFEDHN CC(C)CC[C@@H](CO)NCc1ccc(C#N)s1 ZINC000598991656 350355450 /nfs/dbraw/zinc/35/54/50/350355450.db2.gz QLPXKQCNECKGMQ-NSHDSACASA-N 0 3 252.383 2.506 20 30 CFEDHN C/C=C\CNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000599005798 350358389 /nfs/dbraw/zinc/35/83/89/350358389.db2.gz UFSRHONLNWLEJG-IHWYPQMZSA-N 0 3 281.363 2.524 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc[nH]c1=O ZINC000599086923 350374378 /nfs/dbraw/zinc/37/43/78/350374378.db2.gz BIPWEXGBGVYUGZ-MRXNPFEDSA-N 0 3 279.343 2.826 20 30 CFEDHN C[C@@H](NCCN(C)CC(F)F)c1ccc(C#N)cc1F ZINC000599095086 350375337 /nfs/dbraw/zinc/37/53/37/350375337.db2.gz QFDRRVFOTHRTAE-SNVBAGLBSA-N 0 3 285.313 2.545 20 30 CFEDHN N#Cc1cnc(NC[C@@H]2CCN2C2CCCCC2)c(F)c1 ZINC000599127944 350381206 /nfs/dbraw/zinc/38/12/06/350381206.db2.gz RGIQJIPFFGIQKC-AWEZNQCLSA-N 0 3 288.370 2.911 20 30 CFEDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(C)c(C#N)c1 ZINC000599434469 350437808 /nfs/dbraw/zinc/43/78/08/350437808.db2.gz BDMPPHCOIIZBSJ-HZPDHXFCSA-N 0 3 258.365 2.914 20 30 CFEDHN Cc1ccc(CN(CCCCO)C2CC2)cc1C#N ZINC000599299874 350408963 /nfs/dbraw/zinc/40/89/63/350408963.db2.gz OZPJFPRPNPJEEI-UHFFFAOYSA-N 0 3 258.365 2.604 20 30 CFEDHN CCC1(O)CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599299806 350409134 /nfs/dbraw/zinc/40/91/34/350409134.db2.gz KQFBHNOSDFTKMJ-UHFFFAOYSA-N 0 3 258.365 2.604 20 30 CFEDHN Cc1nc([C@@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n[nH]1 ZINC000599308888 350411839 /nfs/dbraw/zinc/41/18/39/350411839.db2.gz CLQUFMACEGWHNV-OAHLLOKOSA-N 0 3 295.390 2.673 20 30 CFEDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599308888 350411844 /nfs/dbraw/zinc/41/18/44/350411844.db2.gz CLQUFMACEGWHNV-OAHLLOKOSA-N 0 3 295.390 2.673 20 30 CFEDHN Cc1csc([C@H](NC[C@@H](O)CC2(C#N)CC2)C2CC2)n1 ZINC000599353046 350421570 /nfs/dbraw/zinc/42/15/70/350421570.db2.gz KCCUTGDGRAKIOB-QWHCGFSZSA-N 0 3 291.420 2.547 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1cccc(F)c1F ZINC000599352556 350421727 /nfs/dbraw/zinc/42/17/27/350421727.db2.gz CUCYLJMIJICCNG-MNOVXSKESA-N 0 3 280.318 2.670 20 30 CFEDHN Cc1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1C#N ZINC000599358221 350422728 /nfs/dbraw/zinc/42/27/28/350422728.db2.gz ATSRHAYIRKWABI-IRXDYDNUSA-N 0 3 270.376 2.914 20 30 CFEDHN Cc1ccc(CN(C)CCCNC(=O)C2CCC2)cc1C#N ZINC000599386212 350428625 /nfs/dbraw/zinc/42/86/25/350428625.db2.gz SDLKPIIHHREYMX-UHFFFAOYSA-N 0 3 299.418 2.605 20 30 CFEDHN Cc1ccc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1C#N ZINC000599383899 350428799 /nfs/dbraw/zinc/42/87/99/350428799.db2.gz HOZVVKUBDUTXPH-DXCKQFNASA-N 0 3 272.392 2.848 20 30 CFEDHN CO[C@]1(C)CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599391254 350429466 /nfs/dbraw/zinc/42/94/66/350429466.db2.gz IWNAMJKWYAOXEU-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000599526451 350450453 /nfs/dbraw/zinc/45/04/53/350450453.db2.gz LSEMLIPDZSYVIP-MRXNPFEDSA-N 0 3 297.402 2.831 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2ccc(Br)cc21 ZINC000289968988 539798518 /nfs/dbraw/zinc/79/85/18/539798518.db2.gz XHZQZMPOIIVIAU-TZMCWYRMSA-N 0 3 296.208 2.963 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H](c1ccccn1)C1CCC1 ZINC000599574153 350458573 /nfs/dbraw/zinc/45/85/73/350458573.db2.gz PJIXRBVLAIWKNE-GOEBONIOSA-N 0 3 287.407 2.813 20 30 CFEDHN CCn1nccc1CCN1CCc2c(CC#N)cccc2C1 ZINC000599676528 350479703 /nfs/dbraw/zinc/47/97/03/350479703.db2.gz AYHFEEPWJLFYQG-UHFFFAOYSA-N 0 3 294.402 2.570 20 30 CFEDHN COC(C)(C)CCN1CCc2c(CC#N)cccc2C1 ZINC000599677928 350480013 /nfs/dbraw/zinc/48/00/13/350480013.db2.gz MWALCGDXPMEFTJ-UHFFFAOYSA-N 0 3 272.392 2.926 20 30 CFEDHN N#CCc1cccc2c1CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000599677777 350480130 /nfs/dbraw/zinc/48/01/30/350480130.db2.gz KVCCMXLRCSBQDP-CZUORRHYSA-N 0 3 265.360 2.803 20 30 CFEDHN N#CCc1cccc2c1CCN(CCc1cccnc1)C2 ZINC000599676393 350480145 /nfs/dbraw/zinc/48/01/45/350480145.db2.gz COMXLKGUNQVEBZ-UHFFFAOYSA-N 0 3 277.371 2.748 20 30 CFEDHN CC(=O)NC[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000599693283 350485084 /nfs/dbraw/zinc/48/50/84/350485084.db2.gz YZRZEYOLGNVGMW-MRXNPFEDSA-N 0 3 291.439 2.841 20 30 CFEDHN C=CCCCN(C)Cc1cccc(C(=O)OCC)n1 ZINC000600116769 350513807 /nfs/dbraw/zinc/51/38/07/350513807.db2.gz OFXNXJBZDXVNFC-UHFFFAOYSA-N 0 3 262.353 2.656 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000600183760 350533482 /nfs/dbraw/zinc/53/34/82/350533482.db2.gz DYJDWRBLKZZCIH-ZDUSSCGKSA-N 0 3 276.380 2.898 20 30 CFEDHN N#Cc1ccc2ncc(CN3CCCC4(CC4)CC3)n2c1 ZINC000600215400 350542079 /nfs/dbraw/zinc/54/20/79/350542079.db2.gz JNJDZISFWDTVHD-UHFFFAOYSA-N 0 3 280.375 2.972 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N(C1CC1)C1CC1 ZINC000600361786 350550289 /nfs/dbraw/zinc/55/02/89/350550289.db2.gz XCDKMUPLRACZRU-AWEZNQCLSA-N 0 3 268.360 2.912 20 30 CFEDHN CCC(F)(F)CNC(=O)C(C#N)CCc1ccccc1 ZINC000600380231 350552512 /nfs/dbraw/zinc/55/25/12/350552512.db2.gz RTKGFHZKJNCWMD-CYBMUJFWSA-N 0 3 280.318 2.920 20 30 CFEDHN CCSc1cccc(CNC[C@@H](O)CC2(C#N)CC2)c1 ZINC000600738708 350604325 /nfs/dbraw/zinc/60/43/25/350604325.db2.gz KCOSXMBLZLJEHL-AWEZNQCLSA-N 0 3 290.432 2.943 20 30 CFEDHN CSc1ccc(CNC[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600718607 350600863 /nfs/dbraw/zinc/60/08/63/350600863.db2.gz HNLRMAAWMQTABT-ZDUSSCGKSA-N 0 3 276.405 2.553 20 30 CFEDHN C[C@@H]1C[C@H]1c1ccc(CNC[C@H](O)CC2(C#N)CC2)o1 ZINC000600716279 350600881 /nfs/dbraw/zinc/60/08/81/350600881.db2.gz JJFKWKVSQGMLPK-YRGRVCCFSA-N 0 3 274.364 2.547 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)[C@@H](C)O1 ZINC000600859784 350620178 /nfs/dbraw/zinc/62/01/78/350620178.db2.gz LWKZEFIDXNZKCI-XJKCOSOUSA-N 0 3 270.376 2.897 20 30 CFEDHN CCC(C)(C)N1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000600863384 350620865 /nfs/dbraw/zinc/62/08/65/350620865.db2.gz MCEGZPPMPLSJIA-UHFFFAOYSA-N 0 3 299.422 2.536 20 30 CFEDHN C[C@@H](C#N)n1cc(-c2cccc(OCCN(C)C)c2)cn1 ZINC000600778923 350610148 /nfs/dbraw/zinc/61/01/48/350610148.db2.gz JTEWSGSKOQCNPP-ZDUSSCGKSA-N 0 3 284.363 2.575 20 30 CFEDHN Cc1ccc(CN2CC[C@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000601160208 350685396 /nfs/dbraw/zinc/68/53/96/350685396.db2.gz UUWWGDXWITWHFG-INIZCTEOSA-N 0 3 295.386 2.824 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1c1ncc(C#N)cc1Cl ZINC000601192043 350692757 /nfs/dbraw/zinc/69/27/57/350692757.db2.gz PPKFJNKXDSXTSF-GFCCVEGCSA-N 0 3 278.787 2.527 20 30 CFEDHN CC(C#N)C(=O)NCc1ccsc1C(F)(F)F ZINC000601690204 350760695 /nfs/dbraw/zinc/76/06/95/350760695.db2.gz XSFXAZYXASDVGH-LURJTMIESA-N 0 3 262.256 2.543 20 30 CFEDHN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000601298222 350719055 /nfs/dbraw/zinc/71/90/55/350719055.db2.gz FITBQIMZCJJUMN-OZWUEAAUSA-N 0 3 262.328 2.914 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3c2CCOC3)C1 ZINC000601303750 350720013 /nfs/dbraw/zinc/72/00/13/350720013.db2.gz HTYKDZOCOIRZHU-XJKSGUPXSA-N 0 3 270.376 2.931 20 30 CFEDHN CNCc1ccccc1NC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000601566557 350740866 /nfs/dbraw/zinc/74/08/66/350740866.db2.gz OLKXLWBOAGOYIX-SWLSCSKDSA-N 0 3 286.379 2.562 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601709781 350766391 /nfs/dbraw/zinc/76/63/91/350766391.db2.gz FZHKCHXDWYOTGO-JTQLQIEISA-N 0 3 277.343 2.803 20 30 CFEDHN CN(CCCCC(C)(C)C#N)[C@@H]1CCCCN(C)C1=O ZINC000601971002 350821776 /nfs/dbraw/zinc/82/17/76/350821776.db2.gz SQSBIRPJCVKYTD-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000601807424 350779944 /nfs/dbraw/zinc/77/99/44/350779944.db2.gz KVMDVDMUZOKETE-CVEARBPZSA-N 0 3 285.391 2.512 20 30 CFEDHN CN(C)[C@H](CC(=O)N(C)[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000601818295 350784598 /nfs/dbraw/zinc/78/45/98/350784598.db2.gz LFLHSXFPDNULGE-YESZJQIVSA-N 0 3 299.418 2.830 20 30 CFEDHN CCC1(NCc2cccc(F)c2C#N)CCOCC1 ZINC000602016059 350832373 /nfs/dbraw/zinc/83/23/73/350832373.db2.gz SGYDCXPHPOXJDR-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN COC1(CCNCc2cccc(F)c2C#N)CCC1 ZINC000602023829 350834840 /nfs/dbraw/zinc/83/48/40/350834840.db2.gz KPLBUSHSWUFSPX-UHFFFAOYSA-N 0 3 262.328 2.746 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCCN2CCCC[C@H]12 ZINC000602028466 350835860 /nfs/dbraw/zinc/83/58/60/350835860.db2.gz MVITXGMAYDCGIE-IAGOWNOFSA-N 0 3 287.382 2.804 20 30 CFEDHN CC1(C)OCC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602028816 350835976 /nfs/dbraw/zinc/83/59/76/350835976.db2.gz QAHZUWIHXAYBSU-GFCCVEGCSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@H]1CCC[C@](C#N)(NC(=O)CN(C)CC(C)(C)C)C1 ZINC000602100759 350840836 /nfs/dbraw/zinc/84/08/36/350840836.db2.gz DBWKAAJYNPPMPE-BBRMVZONSA-N 0 3 279.428 2.553 20 30 CFEDHN CN(CC(=O)N1CCCC(C)(C)[C@H]1C#N)CC(C)(C)C ZINC000602139994 350845834 /nfs/dbraw/zinc/84/58/34/350845834.db2.gz HOAFOOFWVLJMAC-CYBMUJFWSA-N 0 3 279.428 2.505 20 30 CFEDHN N#Cc1c(F)cccc1CNCCc1ccc2c(c1)CCO2 ZINC000602004424 350828021 /nfs/dbraw/zinc/82/80/21/350828021.db2.gz FWKNXKMTASKJPN-UHFFFAOYSA-N 0 3 296.345 2.965 20 30 CFEDHN CC(C)Oc1ncccc1CNC[C@H](C)CCC#N ZINC000602499718 350906439 /nfs/dbraw/zinc/90/64/39/350906439.db2.gz KZIXWBBJJOXRIF-CYBMUJFWSA-N 0 3 261.369 2.898 20 30 CFEDHN N#CC1CCC(NCc2cn3ccccc3n2)CC1 ZINC000602502775 350907207 /nfs/dbraw/zinc/90/72/07/350907207.db2.gz MSQLURVXFCZZMQ-UHFFFAOYSA-N 0 3 254.337 2.506 20 30 CFEDHN CC1(C)CCC[C@H]1CCNC(=O)[C@@H](N)CCCCC#N ZINC000602523886 350914109 /nfs/dbraw/zinc/91/41/09/350914109.db2.gz HTPRPCFBYZWTQJ-KBPBESRZSA-N 0 3 279.428 2.730 20 30 CFEDHN Cc1ccc([C@H](CNCc2cccc(C#N)n2)N(C)C)cc1 ZINC000602524949 350914197 /nfs/dbraw/zinc/91/41/97/350914197.db2.gz PAPGTSUFKHTVBI-SFHVURJKSA-N 0 3 294.402 2.654 20 30 CFEDHN COc1cc(C[C@@H](C)NCc2ccc(C#N)cc2F)ccn1 ZINC000602540478 350918441 /nfs/dbraw/zinc/91/84/41/350918441.db2.gz ZIDDEGITMWKQQZ-GFCCVEGCSA-N 0 3 299.349 2.822 20 30 CFEDHN CCCCN1CCCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602545906 350919253 /nfs/dbraw/zinc/91/92/53/350919253.db2.gz ROUNDQMPCPLWED-KRWDZBQOSA-N 0 3 286.423 2.697 20 30 CFEDHN Cc1ccc2nc(CNC[C@H](C)CCC#N)cn2c1 ZINC000602548329 350920215 /nfs/dbraw/zinc/92/02/15/350920215.db2.gz FEQLACARHIGTHD-GFCCVEGCSA-N 0 3 256.353 2.672 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCc3ccccc32)n1 ZINC000602557532 350923793 /nfs/dbraw/zinc/92/37/93/350923793.db2.gz PAWUIPCBFNLPPG-AWEZNQCLSA-N 0 3 263.344 2.773 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCCC(F)(F)C2)n1 ZINC000602567565 350927522 /nfs/dbraw/zinc/92/75/22/350927522.db2.gz GSUDYCQSGXOXMC-JTQLQIEISA-N 0 3 251.280 2.621 20 30 CFEDHN C[C@@H](O)C[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602569185 350928344 /nfs/dbraw/zinc/92/83/44/350928344.db2.gz OVBUYPITMKOHGB-GDBMZVCRSA-N 0 3 295.386 2.598 20 30 CFEDHN CC[C@](C)(NC(=O)[C@H](N)CCCC#N)c1ccc(F)cc1 ZINC000602581561 350933765 /nfs/dbraw/zinc/93/37/65/350933765.db2.gz KHJCITMFJHLGSQ-ZBFHGGJFSA-N 0 3 291.370 2.588 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H](c3ccccc3)C2)n1 ZINC000602443137 350884595 /nfs/dbraw/zinc/88/45/95/350884595.db2.gz RKOYTNQABVGABR-OAHLLOKOSA-N 0 3 263.344 2.943 20 30 CFEDHN CC(=O)Nc1cccc2c1CCN(C[C@H](C)CCC#N)C2 ZINC000602450709 350888023 /nfs/dbraw/zinc/88/80/23/350888023.db2.gz URFZSVOFPSJUOH-CYBMUJFWSA-N 0 3 285.391 2.943 20 30 CFEDHN COc1ccc([C@H]2CCN(Cc3cccc(C#N)n3)C2)cc1 ZINC000602468220 350893213 /nfs/dbraw/zinc/89/32/13/350893213.db2.gz ZFTWIKQUSFSNJW-HNNXBMFYSA-N 0 3 293.370 2.951 20 30 CFEDHN N#Cc1cccc(CNCCCc2ccccc2F)n1 ZINC000602645336 350959894 /nfs/dbraw/zinc/95/98/94/350959894.db2.gz RSOBOOWZRWZBCA-UHFFFAOYSA-N 0 3 269.323 2.815 20 30 CFEDHN COc1ncc(CNCC2CCC(C#N)CC2)s1 ZINC000602658931 350964313 /nfs/dbraw/zinc/96/43/13/350964313.db2.gz ZKLDJKKWYGNHFR-UHFFFAOYSA-N 0 3 265.382 2.571 20 30 CFEDHN C[C@@]12CN(Cc3cccc(C#N)n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000602673533 350971683 /nfs/dbraw/zinc/97/16/83/350971683.db2.gz CVGXMJROICSNJX-GFOFROLCSA-N 0 3 265.360 2.597 20 30 CFEDHN COC(=O)c1cccc2c1CCN(C[C@H](C)CCC#N)C2 ZINC000602687860 350979881 /nfs/dbraw/zinc/97/98/81/350979881.db2.gz NEBGHYJYBZEDKJ-CYBMUJFWSA-N 0 3 286.375 2.771 20 30 CFEDHN COC1(C(F)(F)F)CCN(C[C@H](C)CCC#N)CC1 ZINC000602696532 350983576 /nfs/dbraw/zinc/98/35/76/350983576.db2.gz RMHZBZIVNQEYDP-LLVKDONJSA-N 0 3 278.318 2.970 20 30 CFEDHN Cc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)cc(C)n1 ZINC000602695634 350983790 /nfs/dbraw/zinc/98/37/90/350983790.db2.gz BLUQBVPJKDRTJJ-HNNXBMFYSA-N 0 3 287.407 2.887 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(C)C[C@H]1Cc1ccccc1 ZINC000602711296 350993907 /nfs/dbraw/zinc/99/39/07/350993907.db2.gz IVEBHQZXMFERET-SJLPKXTDSA-N 0 3 285.435 2.785 20 30 CFEDHN CO[C@H](CNCc1cccc(C#N)n1)C1CCCCC1 ZINC000602726099 351002159 /nfs/dbraw/zinc/00/21/59/351002159.db2.gz ZQKZRIGCMBIEHO-MRXNPFEDSA-N 0 3 273.380 2.638 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCO[C@H]1C ZINC000602767848 351018298 /nfs/dbraw/zinc/01/82/98/351018298.db2.gz GTJCYECWFDNNFI-YOEHRIQHSA-N 0 3 270.376 2.971 20 30 CFEDHN N#CCC1(CN2CCN(CC3CCCCC3)CC2)CC1 ZINC000602770056 351019439 /nfs/dbraw/zinc/01/94/39/351019439.db2.gz UGUGJAXRWFQYQF-UHFFFAOYSA-N 0 3 275.440 2.878 20 30 CFEDHN N#CCC1(CN(CCO)[C@H]2CCc3ccccc32)CC1 ZINC000602779109 351022863 /nfs/dbraw/zinc/02/28/63/351022863.db2.gz OWJJTMWHIIVUCX-INIZCTEOSA-N 0 3 270.376 2.662 20 30 CFEDHN N#CCC1(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000602796746 351028020 /nfs/dbraw/zinc/02/80/20/351028020.db2.gz FRDWOTBPZIJUNQ-CYBMUJFWSA-N 0 3 285.395 2.555 20 30 CFEDHN N#CCC1(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000602796746 351028024 /nfs/dbraw/zinc/02/80/24/351028024.db2.gz FRDWOTBPZIJUNQ-CYBMUJFWSA-N 0 3 285.395 2.555 20 30 CFEDHN Cc1n[nH]cc1C1CCN(CC2(CC#N)CC2)CC1 ZINC000602826280 351039334 /nfs/dbraw/zinc/03/93/34/351039334.db2.gz KOGXTTNEOCCYOP-UHFFFAOYSA-N 0 3 258.369 2.591 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)N1CC#N ZINC000602852526 351045305 /nfs/dbraw/zinc/04/53/05/351045305.db2.gz BYLRLZWFRWRSIK-GJZGRUSLSA-N 0 3 276.428 2.625 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](c3cccnc3)C2)C1 ZINC000602852698 351045989 /nfs/dbraw/zinc/04/59/89/351045989.db2.gz GCXNCXWHWXYTAS-VNQPRFMTSA-N 0 3 255.365 2.953 20 30 CFEDHN C[C@@H]1CN(CCCc2ccccc2)C[C@@H](C)N1CC#N ZINC000602856121 351047796 /nfs/dbraw/zinc/04/77/96/351047796.db2.gz KBLUTKDHZWNERH-HZPDHXFCSA-N 0 3 271.408 2.537 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2ccnn2)CC1 ZINC000602890972 351059744 /nfs/dbraw/zinc/05/97/44/351059744.db2.gz FIUBLRFNAKFRIR-PBHICJAKSA-N 0 3 295.390 2.938 20 30 CFEDHN C=CCOCCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602900206 351060662 /nfs/dbraw/zinc/06/06/62/351060662.db2.gz MSOLDKYQFFKSEC-UHFFFAOYSA-N 0 3 285.391 2.637 20 30 CFEDHN CN(c1ccccc1)[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602904267 351061631 /nfs/dbraw/zinc/06/16/31/351061631.db2.gz VSQJUYSNMRNOQZ-MRXNPFEDSA-N 0 3 269.392 2.891 20 30 CFEDHN CC1(C)CO[C@@H](CN2CCc3c(CC#N)cccc3C2)C1 ZINC000602916945 351063972 /nfs/dbraw/zinc/06/39/72/351063972.db2.gz IWOAXYPBHMESFL-MRXNPFEDSA-N 0 3 284.403 2.926 20 30 CFEDHN N#Cc1ccccc1-c1ccc(CN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603086511 351102953 /nfs/dbraw/zinc/10/29/53/351102953.db2.gz KUGLWNNXZHDVGV-HKUYNNGSSA-N 0 3 290.366 2.792 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000603231746 351122798 /nfs/dbraw/zinc/12/27/98/351122798.db2.gz BTIZGHALUPWCLK-XHDPSFHLSA-N 0 3 283.379 2.805 20 30 CFEDHN COc1ccc(CN(CCCC#N)[C@H](C)CCCO)cc1 ZINC000602966497 351073500 /nfs/dbraw/zinc/07/35/00/351073500.db2.gz HNOPRHSYSWQOTM-OAHLLOKOSA-N 0 3 290.407 2.962 20 30 CFEDHN CN(CCN(C)[C@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000602981353 351082455 /nfs/dbraw/zinc/08/24/55/351082455.db2.gz BTIOYHJWBAAPTE-IRXDYDNUSA-N 0 3 271.408 2.742 20 30 CFEDHN CC1(F)CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000602992187 351086918 /nfs/dbraw/zinc/08/69/18/351086918.db2.gz ATFYBXNZFLYGFX-UHFFFAOYSA-N 0 3 295.383 2.772 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000602997105 351088112 /nfs/dbraw/zinc/08/81/12/351088112.db2.gz CLGIQNBGPNZXAL-XIRDDKMYSA-N 0 3 288.366 2.823 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000602998364 351088921 /nfs/dbraw/zinc/08/89/21/351088921.db2.gz KQCSBQWRSWGLPW-IHRRRGAJSA-N 0 3 278.396 2.732 20 30 CFEDHN CC[C@](C)(N)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603249511 351125135 /nfs/dbraw/zinc/12/51/35/351125135.db2.gz HOZFFABWWGJATQ-KRWDZBQOSA-N 0 3 297.406 2.711 20 30 CFEDHN C[C@@H](CN(C)[C@H](C)C(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000603055125 351095627 /nfs/dbraw/zinc/09/56/27/351095627.db2.gz MRFODMWBPYJXIM-QWHCGFSZSA-N 0 3 279.428 2.551 20 30 CFEDHN COCc1cc(C#N)ccc1N1CCN(C2CCCC2)CC1 ZINC000603273777 351128790 /nfs/dbraw/zinc/12/87/90/351128790.db2.gz XDUSDJVOPRNSMU-UHFFFAOYSA-N 0 3 299.418 2.769 20 30 CFEDHN C=CCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000605151760 351239755 /nfs/dbraw/zinc/23/97/55/351239755.db2.gz DXWFRRPWDSLDCT-GFCCVEGCSA-N 0 3 259.271 2.689 20 30 CFEDHN C=CCCN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000606896271 351301202 /nfs/dbraw/zinc/30/12/02/351301202.db2.gz FFPQJZXOHLMUSH-AWEZNQCLSA-N 0 3 260.381 2.782 20 30 CFEDHN COc1ccc(C2(NCCCC#N)CCOCC2)cc1 ZINC000609358180 351498328 /nfs/dbraw/zinc/49/83/28/351498328.db2.gz OXCMDGINTCWDSD-UHFFFAOYSA-N 0 3 274.364 2.594 20 30 CFEDHN CN(CCOc1ccccc1C#N)CCOC(C)(C)C ZINC000609389857 351501237 /nfs/dbraw/zinc/50/12/37/351501237.db2.gz GJTXZVINMOPOFJ-UHFFFAOYSA-N 0 3 276.380 2.684 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccccc1Cl ZINC000609574682 351509187 /nfs/dbraw/zinc/50/91/87/351509187.db2.gz VRSHFJBMVCVYIT-GFCCVEGCSA-N 0 3 277.799 2.979 20 30 CFEDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1cccc(C#N)c1 ZINC000609839816 351521763 /nfs/dbraw/zinc/52/17/63/351521763.db2.gz WQLFXDRQXZDSQA-AWEZNQCLSA-N 0 3 286.379 2.554 20 30 CFEDHN CC(C#N)C(=O)NCCOc1cccc(Cl)c1Cl ZINC000609921121 351528380 /nfs/dbraw/zinc/52/83/80/351528380.db2.gz KSYIDGLHHIBCSN-MRVPVSSYSA-N 0 3 287.146 2.648 20 30 CFEDHN CC[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000610015874 351531700 /nfs/dbraw/zinc/53/17/00/351531700.db2.gz DHGQHHLMBXOLHV-PRHODGIISA-N 0 3 252.264 2.692 20 30 CFEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(C#N)s1 ZINC000610520022 351577181 /nfs/dbraw/zinc/57/71/81/351577181.db2.gz DOUNNWMZZZHXMV-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN C[C@H](NC1CCN(CC#N)CC1)c1cc(F)c(F)c(F)c1 ZINC000610813781 351612510 /nfs/dbraw/zinc/61/25/10/351612510.db2.gz SXENPBOEBXGFCV-JTQLQIEISA-N 0 3 297.324 2.742 20 30 CFEDHN C[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1cccc(C#N)c1 ZINC000610366789 351559759 /nfs/dbraw/zinc/55/97/59/351559759.db2.gz XRDRCBUTPHHZNX-KBXIAJHMSA-N 0 3 299.418 2.997 20 30 CFEDHN CCc1cc(NC2CCN(CC#N)CC2)c2ccccc2n1 ZINC000611030254 351635109 /nfs/dbraw/zinc/63/51/09/351635109.db2.gz MNRNPCLTSXTOFJ-UHFFFAOYSA-N 0 3 294.402 2.619 20 30 CFEDHN N#CCN1CCC(N[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000611071423 351637599 /nfs/dbraw/zinc/63/75/99/351637599.db2.gz YDWWYMKHYHFYNF-HNNXBMFYSA-N 0 3 291.345 2.530 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)Cn2cccn2)cc1 ZINC000271441625 191139222 /nfs/dbraw/zinc/13/92/22/191139222.db2.gz GRZYULVUZPWJCK-LSDHHAIUSA-N 0 3 283.375 2.634 20 30 CFEDHN CCN1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000611092387 351640360 /nfs/dbraw/zinc/64/03/60/351640360.db2.gz RYZLGDRNUPFEQT-UONOGXRCSA-N 0 3 257.381 2.645 20 30 CFEDHN N#Cc1ccc(CN2CCC3(CCOC3)CC2)cc1 ZINC000611177971 351647807 /nfs/dbraw/zinc/64/78/07/351647807.db2.gz ONNNZBPSVGYMNW-UHFFFAOYSA-N 0 3 256.349 2.561 20 30 CFEDHN N#Cc1cccc(OCCN2CC[C@H](C(F)F)C2)c1 ZINC000611179896 351648272 /nfs/dbraw/zinc/64/82/72/351648272.db2.gz MYVLKFHBNDELDD-LBPRGKRZSA-N 0 3 266.291 2.524 20 30 CFEDHN COCCN(Cc1ccc(C#N)cc1OC)C1CCCC1 ZINC000611235580 351654206 /nfs/dbraw/zinc/65/42/06/351654206.db2.gz RDVIVWZSQVBAPH-UHFFFAOYSA-N 0 3 288.391 2.958 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993058 351630037 /nfs/dbraw/zinc/63/00/37/351630037.db2.gz AWLPURXFWUUNBE-LSDHHAIUSA-N 0 3 273.380 2.589 20 30 CFEDHN N#Cc1cc(CN(C[C@H]2CCCO2)C2CCCC2)ccn1 ZINC000610993965 351631728 /nfs/dbraw/zinc/63/17/28/351631728.db2.gz OPJMZBSCGKBYNW-QGZVFWFLSA-N 0 3 285.391 2.877 20 30 CFEDHN Cc1nc(NCCN2CCCC[C@@H]2C)ccc1C#N ZINC000291607441 198049460 /nfs/dbraw/zinc/04/94/60/198049460.db2.gz JDDHIALGEHGBKF-LBPRGKRZSA-N 0 3 258.369 2.548 20 30 CFEDHN CC(C)N1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1=O ZINC000611394878 351682093 /nfs/dbraw/zinc/68/20/93/351682093.db2.gz PDUQJECRVUPSJS-DLBZAZTESA-N 0 3 297.402 2.535 20 30 CFEDHN Cc1noc(C)c1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000611409046 351684021 /nfs/dbraw/zinc/68/40/21/351684021.db2.gz GSXDTXWSJCRFIW-NSHDSACASA-N 0 3 285.347 2.893 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000611431833 351689288 /nfs/dbraw/zinc/68/92/88/351689288.db2.gz CSVWPDHASSNANK-HZPDHXFCSA-N 0 3 263.429 2.897 20 30 CFEDHN CN(C)c1cccc(CN2CCC(C)(C#N)CC2)c1 ZINC000611553469 351707382 /nfs/dbraw/zinc/70/73/82/351707382.db2.gz ZGAJOEFQPICHDJ-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN CN1CC[C@H]2CCN(c3cc(C#N)nc4ccccc43)[C@H]2C1 ZINC000611510202 351701983 /nfs/dbraw/zinc/70/19/83/351701983.db2.gz GCXMWBTXUAAVTB-UGSOOPFHSA-N 0 3 292.386 2.637 20 30 CFEDHN Cn1cc(CN2CC=CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000611521122 351703502 /nfs/dbraw/zinc/70/35/02/351703502.db2.gz APXXNGFBCRDCBY-UHFFFAOYSA-N 0 3 278.359 2.721 20 30 CFEDHN N#CCCCNCc1cnn(Cc2ccccc2Cl)c1 ZINC000612191178 351786906 /nfs/dbraw/zinc/78/69/06/351786906.db2.gz XXXHFHZJAJXYEO-UHFFFAOYSA-N 0 3 288.782 2.978 20 30 CFEDHN COc1cccc(CC2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000612335135 351804684 /nfs/dbraw/zinc/80/46/84/351804684.db2.gz LRNWJSJANJFFJV-ZDUSSCGKSA-N 0 3 286.375 2.636 20 30 CFEDHN COc1ccc2c(c1)CC[C@H](NC[C@H](C#N)CCC#N)C2 ZINC000612049423 351766033 /nfs/dbraw/zinc/76/60/33/351766033.db2.gz OBMLSWBOCJKSLT-BBRMVZONSA-N 0 3 283.375 2.586 20 30 CFEDHN Cc1ccnc(NC[C@H](C)N2CCC[C@@H](C)C2)c1C#N ZINC000612070386 351768772 /nfs/dbraw/zinc/76/87/72/351768772.db2.gz CAPUHFQGYCONCX-OCCSQVGLSA-N 0 3 272.396 2.794 20 30 CFEDHN COc1ccc(CN2CCCC[C@H]2C[C@H](C)O)cc1C#N ZINC000123901435 187114129 /nfs/dbraw/zinc/11/41/29/187114129.db2.gz PCMMVDQHFUZNRZ-BBRMVZONSA-N 0 3 288.391 2.692 20 30 CFEDHN CN(CCN1CCCC1=O)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166982 352055387 /nfs/dbraw/zinc/05/53/87/352055387.db2.gz UOEMDWBNBFBVIQ-UHFFFAOYSA-N 0 3 299.418 2.542 20 30 CFEDHN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC1 ZINC000614167328 352055881 /nfs/dbraw/zinc/05/58/81/352055881.db2.gz PUDNRWSYRWBZBS-OAHLLOKOSA-N 0 3 258.365 2.708 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CCCN(C)C[C@H]1CC ZINC000614329804 352080448 /nfs/dbraw/zinc/08/04/48/352080448.db2.gz IWJAFRFUXIHGIS-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@H](Oc2ccccn2)C1 ZINC000614402812 352089912 /nfs/dbraw/zinc/08/99/12/352089912.db2.gz RRWQRMMETVHARH-KRWDZBQOSA-N 0 3 293.370 2.915 20 30 CFEDHN CCCC(=O)NC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000614529063 352101986 /nfs/dbraw/zinc/10/19/86/352101986.db2.gz ZANWRCHFVCJPGH-CQSZACIVSA-N 0 3 299.418 3.000 20 30 CFEDHN N#Cc1cccc(-c2nnc(CN3CC[C@H]4CCC[C@@H]43)o2)c1 ZINC000614600741 352106958 /nfs/dbraw/zinc/10/69/58/352106958.db2.gz IEOPKSVSQZEMAI-HIFRSBDPSA-N 0 3 294.358 2.983 20 30 CFEDHN CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC000614637292 352108318 /nfs/dbraw/zinc/10/83/18/352108318.db2.gz BKBXJLAVLSEAGO-HRCADAONSA-N 0 3 270.376 2.685 20 30 CFEDHN CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000614637293 352108324 /nfs/dbraw/zinc/10/83/24/352108324.db2.gz BKBXJLAVLSEAGO-OWCLPIDISA-N 0 3 270.376 2.685 20 30 CFEDHN C[C@@H]1CN(c2cc(C#N)nc3ccccc32)[C@H](C)CN1C ZINC000615496116 352198849 /nfs/dbraw/zinc/19/88/49/352198849.db2.gz FIHPALUUAWHBER-CHWSQXEVSA-N 0 3 280.375 2.635 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](n2cccn2)C1 ZINC000292026759 198137944 /nfs/dbraw/zinc/13/79/44/198137944.db2.gz YSNMDKWZYXBCJK-BBRMVZONSA-N 0 3 266.348 2.763 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617005901 352460696 /nfs/dbraw/zinc/46/06/96/352460696.db2.gz QOQJHVDIYZPLEY-GFCCVEGCSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C ZINC000617039095 352474659 /nfs/dbraw/zinc/47/46/59/352474659.db2.gz CDEWSYCJVRNHDM-MCIONIFRSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H](CO)NCc1c(OC)ccc2ccccc21 ZINC000320338713 539901671 /nfs/dbraw/zinc/90/16/71/539901671.db2.gz CITGPNFTOLPCND-AWEZNQCLSA-N 0 3 271.360 2.875 20 30 CFEDHN CC(C)CCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000617540476 352576813 /nfs/dbraw/zinc/57/68/13/352576813.db2.gz ZICWDWASVBVLQN-HNNXBMFYSA-N 0 3 251.418 2.588 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000617786169 352646273 /nfs/dbraw/zinc/64/62/73/352646273.db2.gz VFDUEBIZBSORGJ-LSDHHAIUSA-N 0 3 264.413 2.676 20 30 CFEDHN COc1ccc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000271617820 191242433 /nfs/dbraw/zinc/24/24/33/191242433.db2.gz COGKBPQUZSZEDE-ACJLOTCBSA-N 0 3 296.370 2.951 20 30 CFEDHN C=CCC[C@@H](O)CNC(C)(C)c1ccccc1F ZINC000292144929 198180612 /nfs/dbraw/zinc/18/06/12/198180612.db2.gz MXHPMMFDEQZPMA-GFCCVEGCSA-N 0 3 251.345 2.978 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@@H](CO)c2cccc(F)c2)C1 ZINC000618571762 352813834 /nfs/dbraw/zinc/81/38/34/352813834.db2.gz WWXXLIWEIDQJMC-DFBGVHRSSA-N 0 3 262.328 2.531 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000618571872 352814814 /nfs/dbraw/zinc/81/48/14/352814814.db2.gz IXWYDOHLWQBVOP-FZMZJTMJSA-N 0 3 299.353 2.783 20 30 CFEDHN CCC(C#N)(CC)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000528929608 383679284 /nfs/dbraw/zinc/67/92/84/383679284.db2.gz PJIDDECRLTYQQC-ZDUSSCGKSA-N 0 3 279.428 2.505 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618985259 352926985 /nfs/dbraw/zinc/92/69/85/352926985.db2.gz FTQJBHPEUTWJCF-HOCLYGCPSA-N 0 3 266.429 2.825 20 30 CFEDHN CC[C@@H](C(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(CC)CC ZINC000618788563 352881388 /nfs/dbraw/zinc/88/13/88/352881388.db2.gz BISXTNHYYZAESF-SJORKVTESA-N 0 3 299.418 2.782 20 30 CFEDHN Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618808225 352884266 /nfs/dbraw/zinc/88/42/66/352884266.db2.gz ZVELIYLHEPRPTC-DLBZAZTESA-N 0 3 292.386 2.946 20 30 CFEDHN CCSCC[C@H](C)N(C)Cc1ccc(C#N)cn1 ZINC000619569595 353036913 /nfs/dbraw/zinc/03/69/13/353036913.db2.gz WESOTXARDRRKES-LBPRGKRZSA-N 0 3 263.410 2.917 20 30 CFEDHN CC(C)(C#N)CN[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000619612238 353040336 /nfs/dbraw/zinc/04/03/36/353040336.db2.gz KRSGMIKYDIAKID-MELADBBJSA-N 0 3 250.386 2.721 20 30 CFEDHN C#CCSCCNCc1cc(F)c(F)c(F)c1 ZINC000152913346 188052662 /nfs/dbraw/zinc/05/26/62/188052662.db2.gz LZSHITCRVNXEHC-UHFFFAOYSA-N 0 3 259.296 2.560 20 30 CFEDHN N#Cc1ccc(-c2nnc(CN3C[C@@H]4CCC[C@@H]4C3)o2)cc1 ZINC000153128749 188065661 /nfs/dbraw/zinc/06/56/61/188065661.db2.gz XTWRBNWAXDVPTJ-GASCZTMLSA-N 0 3 294.358 2.840 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000620309972 353149834 /nfs/dbraw/zinc/14/98/34/353149834.db2.gz UWVVMPAWXBJTNU-NMWPEEMBSA-N 0 3 262.397 2.569 20 30 CFEDHN N#Cc1cccc(OCCCN2CCOC3(CCC3)C2)c1 ZINC000154167870 188126947 /nfs/dbraw/zinc/12/69/47/188126947.db2.gz COIKGFINDNFQIT-UHFFFAOYSA-N 0 3 286.375 2.582 20 30 CFEDHN Cc1nc(C)c(C#N)c(SCCN2CCC(C)CC2)n1 ZINC000154234323 188131200 /nfs/dbraw/zinc/13/12/00/188131200.db2.gz DXLGWNQAPLQAAZ-UHFFFAOYSA-N 0 3 290.436 2.789 20 30 CFEDHN C=CCCN(Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292422249 198282771 /nfs/dbraw/zinc/28/27/71/198282771.db2.gz MXRKENCIDUXTDA-UHFFFAOYSA-N 0 3 293.436 2.532 20 30 CFEDHN C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCN(C2CCC2)C1 ZINC000292436446 198288149 /nfs/dbraw/zinc/28/81/49/198288149.db2.gz RFBBEZSEDDEMKK-AWEZNQCLSA-N 0 3 297.402 2.505 20 30 CFEDHN C=CCOCCNCc1cn(-c2cccc(F)c2)nc1C ZINC000666356135 539988874 /nfs/dbraw/zinc/98/88/74/539988874.db2.gz PUBTULWCGYYOFI-UHFFFAOYSA-N 0 3 289.354 2.612 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000156147228 188245113 /nfs/dbraw/zinc/24/51/13/188245113.db2.gz LLVIFPLBAHJEAM-OAHLLOKOSA-N 0 3 286.419 2.858 20 30 CFEDHN C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000156486324 188264864 /nfs/dbraw/zinc/26/48/64/188264864.db2.gz IQFUBLBHNMWNNX-YOEHRIQHSA-N 0 3 280.375 2.838 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000156508461 188265383 /nfs/dbraw/zinc/26/53/83/188265383.db2.gz GBWKOUJUAAZMSV-MRXNPFEDSA-N 0 3 287.407 2.526 20 30 CFEDHN CC(C)(N)C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000621527430 353373694 /nfs/dbraw/zinc/37/36/94/353373694.db2.gz WVIIGFUGLCCNNC-UHFFFAOYSA-N 0 3 284.384 2.824 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292623349 198353829 /nfs/dbraw/zinc/35/38/29/198353829.db2.gz UUFRDXBHDIOHFH-HKUYNNGSSA-N 0 3 298.430 2.901 20 30 CFEDHN C=CCC(F)(F)C(=O)NCCCN(C)Cc1ccccc1 ZINC000292725781 198390133 /nfs/dbraw/zinc/39/01/33/198390133.db2.gz IICGHASXFCKHEW-UHFFFAOYSA-N 0 3 296.361 2.836 20 30 CFEDHN C=CCC[C@@H](C)N[C@@H]1c2ccccc2CN(C)C1=O ZINC000623234881 353598542 /nfs/dbraw/zinc/59/85/42/353598542.db2.gz AORDKWBFQLRCJO-IUODEOHRSA-N 0 3 258.365 2.644 20 30 CFEDHN C=CCOc1c(Cl)cc(CNCC(C)(C)O)cc1OC ZINC000623412643 353637607 /nfs/dbraw/zinc/63/76/07/353637607.db2.gz UNBYKLOCFGDORN-UHFFFAOYSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CCOCCCNCc1ccc(F)c(F)c1N(C)C ZINC000623569368 353674262 /nfs/dbraw/zinc/67/42/62/353674262.db2.gz DNPMVZDUNOJUAF-UHFFFAOYSA-N 0 3 284.350 2.713 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2C[C@H](OC)C2)ccc1OC ZINC000623807603 353728864 /nfs/dbraw/zinc/72/88/64/353728864.db2.gz LEUWEEYKSVHQNG-SHTZXODSSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000624326780 353863016 /nfs/dbraw/zinc/86/30/16/353863016.db2.gz UUZSGLINHMCWNV-RRFJBIMHSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000624377258 353873154 /nfs/dbraw/zinc/87/31/54/353873154.db2.gz UNLSGXQPCTYAFA-HZPDHXFCSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)CC1CCN(C)CC1 ZINC000624466248 353886880 /nfs/dbraw/zinc/88/68/80/353886880.db2.gz PGSSZWDPJDHZRY-UHFFFAOYSA-N 0 3 281.444 2.572 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NC[C@H]2CCN2C2CCCC2)C1 ZINC000624787074 353946195 /nfs/dbraw/zinc/94/61/95/353946195.db2.gz OXBJLQKPZNXKND-GDBMZVCRSA-N 0 3 291.439 2.611 20 30 CFEDHN C#CC[C@@H](NCCC(=O)OC(C)C)c1ccccc1 ZINC000271720637 191290543 /nfs/dbraw/zinc/29/05/43/191290543.db2.gz QATQJJIQBKIMQK-OAHLLOKOSA-N 0 3 259.349 2.682 20 30 CFEDHN C#Cc1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000934917990 649851438 /nfs/dbraw/zinc/85/14/38/649851438.db2.gz GTSRQBGBKMVEPF-KRWDZBQOSA-N 0 3 297.402 2.806 20 30 CFEDHN C=CCN1CCC(NC(=O)c2coc(C(F)F)c2)CC1 ZINC000625320592 354020827 /nfs/dbraw/zinc/02/08/27/354020827.db2.gz ACNYLXYOBLYXQH-UHFFFAOYSA-N 0 3 284.306 2.597 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cncc(OC)n1 ZINC000625529740 354065081 /nfs/dbraw/zinc/06/50/81/354065081.db2.gz SMBYTXOWQHMRFX-GXTWGEPZSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(CC(C)C)C2CC2)C1 ZINC000625699655 354088116 /nfs/dbraw/zinc/08/81/16/354088116.db2.gz BZELEGLZWXGESE-AWEZNQCLSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000625700083 354088492 /nfs/dbraw/zinc/08/84/92/354088492.db2.gz IWTLBCFCEOUMIC-CQSZACIVSA-N 0 3 290.382 2.682 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000625701740 354088742 /nfs/dbraw/zinc/08/87/42/354088742.db2.gz CLVPNMRWLNWZPY-INIZCTEOSA-N 0 3 298.430 2.732 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000625702115 354089793 /nfs/dbraw/zinc/08/97/93/354089793.db2.gz NEXGNTCEGVOTSA-ZDUSSCGKSA-N 0 3 286.379 2.782 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)NCc2ccc(C)cc2)C1 ZINC000625703157 354090261 /nfs/dbraw/zinc/09/02/61/354090261.db2.gz LTKBTEXZYABYRC-MRXNPFEDSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000625894836 354135136 /nfs/dbraw/zinc/13/51/36/354135136.db2.gz CTTRVVVJSZNBJC-CYBMUJFWSA-N 0 3 285.391 2.762 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000625895241 354135224 /nfs/dbraw/zinc/13/52/24/354135224.db2.gz ZCKZXUNWVQNVDG-CYBMUJFWSA-N 0 3 285.391 2.762 20 30 CFEDHN CCCCN(CCCO)Cc1cccc(C#N)c1F ZINC000342307650 535253865 /nfs/dbraw/zinc/25/38/65/535253865.db2.gz UBDSVUQHOAKRMZ-UHFFFAOYSA-N 0 3 264.344 2.682 20 30 CFEDHN C=CCC1(NCC(=O)N(C)c2nccs2)CCCCC1 ZINC000625936568 354149393 /nfs/dbraw/zinc/14/93/93/354149393.db2.gz QANBDTZPOHWIQN-UHFFFAOYSA-N 0 3 293.436 2.975 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626125840 354203687 /nfs/dbraw/zinc/20/36/87/354203687.db2.gz ZMWCUCDYYXRFGF-GJZGRUSLSA-N 0 3 293.382 2.951 20 30 CFEDHN N#Cc1ccccc1OCCN[C@@H](CCO)c1ccccc1 ZINC000271738103 191298691 /nfs/dbraw/zinc/29/86/91/191298691.db2.gz HZZCOWHKMLGHEZ-KRWDZBQOSA-N 0 3 296.370 2.650 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@@H](CC)N(CC)CC ZINC000628316120 354540522 /nfs/dbraw/zinc/54/05/22/354540522.db2.gz JOVXBCNJPKDKAK-CYBMUJFWSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CC(C)(C)CCNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000628317157 354542819 /nfs/dbraw/zinc/54/28/19/354542819.db2.gz XXYUXPCTBISTRM-MCIONIFRSA-N 0 3 266.429 2.966 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC(c3nnc4ccccn43)CC2)C1 ZINC000330263950 283057920 /nfs/dbraw/zinc/05/79/20/283057920.db2.gz XGTWMMQDDLCRMI-UKRRQHHQSA-N 0 3 295.390 2.601 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000679576795 540089016 /nfs/dbraw/zinc/08/90/16/540089016.db2.gz UMTKMNNPQMPGTN-VIFPVBQESA-N 0 3 259.271 2.957 20 30 CFEDHN C[C@H](CNc1nc2c(cc1C#N)CCC2)N1CCC[C@@H](C)C1 ZINC000328706230 202022934 /nfs/dbraw/zinc/02/29/34/202022934.db2.gz AGWLZZFEPNDHFB-ZIAGYGMSSA-N 0 3 298.434 2.974 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000630739419 355165243 /nfs/dbraw/zinc/16/52/43/355165243.db2.gz WQPFOTUDNZSUJJ-ZIAGYGMSSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1 ZINC000630810811 355184298 /nfs/dbraw/zinc/18/42/98/355184298.db2.gz INTCHXBVULMIPX-GXTWGEPZSA-N 0 3 264.413 2.579 20 30 CFEDHN C[C@H](NC[C@](C)(O)C(F)(F)F)c1cccc(C#N)c1 ZINC000271845464 191362795 /nfs/dbraw/zinc/36/27/95/191362795.db2.gz HNDHZVFOEDJAIS-CABZTGNLSA-N 0 3 272.270 2.522 20 30 CFEDHN C=CCC[C@H](NCC[C@H](O)C(F)F)c1ccco1 ZINC000631703573 355556006 /nfs/dbraw/zinc/55/60/06/355556006.db2.gz TYNZWCONSJFPKN-QWRGUYRKSA-N 0 3 259.296 2.893 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000632159769 355656217 /nfs/dbraw/zinc/65/62/17/355656217.db2.gz MHXBNKWVYFYPID-HOTGVXAUSA-N 0 3 284.403 2.904 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000632483071 355708031 /nfs/dbraw/zinc/70/80/31/355708031.db2.gz QDCCXTJVYXIMJE-DOTOQJQBSA-N 0 3 298.430 2.979 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC23CC3)CC1 ZINC000632986833 355787602 /nfs/dbraw/zinc/78/76/02/355787602.db2.gz MIZIOMFPQHRADP-OAHLLOKOSA-N 0 3 291.439 2.659 20 30 CFEDHN C=C1CC(C)(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)C1 ZINC000633182587 355819953 /nfs/dbraw/zinc/81/99/53/355819953.db2.gz RDDMVVOLDYABPJ-CQSZACIVSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC000634274699 356135575 /nfs/dbraw/zinc/13/55/75/356135575.db2.gz HCEQNIPYLMYJAG-MRXNPFEDSA-N 0 3 286.419 2.898 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC(CCCO)CC1 ZINC000272967358 192000392 /nfs/dbraw/zinc/00/03/92/192000392.db2.gz OJEXBHODGYDXOC-UHFFFAOYSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CC[C@@H](CO)NCc1cccc(OC)c1OC(C)C ZINC000680484458 540230109 /nfs/dbraw/zinc/23/01/09/540230109.db2.gz KDHNFVSBOKHJIL-AWEZNQCLSA-N 0 3 279.380 2.509 20 30 CFEDHN N#Cc1csc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000335902806 283247796 /nfs/dbraw/zinc/24/77/96/283247796.db2.gz SJQCAELANFGTIK-CYBMUJFWSA-N 0 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2.777 20 30 CFEDHN C[C@H](C(=O)N1CCc2c1cccc2C#N)N1[C@H](C)CC[C@H]1C ZINC000421958753 237015498 /nfs/dbraw/zinc/01/54/98/237015498.db2.gz CCIKIIWYVWDNCD-MGPQQGTHSA-N 0 3 297.402 2.709 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000296883988 200025375 /nfs/dbraw/zinc/02/53/75/200025375.db2.gz PZLSPPSHDXWUOF-WOSRLPQWSA-N 0 3 261.365 2.907 20 30 CFEDHN C#C[C@H](NCc1ccc(O)c(OCC)c1)C(C)(C)C ZINC000297364070 200163884 /nfs/dbraw/zinc/16/38/84/200163884.db2.gz HBPCJBJEKFSDDA-HNNXBMFYSA-N 0 3 261.365 2.928 20 30 CFEDHN C[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000177910400 189078236 /nfs/dbraw/zinc/07/82/36/189078236.db2.gz KTVRCBOSQCGQOK-PBHICJAKSA-N 0 3 280.375 2.838 20 30 CFEDHN C=CCC[C@H](NCCCS(C)(=O)=O)c1ccccc1 ZINC000178759501 189143508 /nfs/dbraw/zinc/14/35/08/189143508.db2.gz UNEABUDFVBILGU-HNNXBMFYSA-N 0 3 281.421 2.718 20 30 CFEDHN C=CC(C)(C)CN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000384815257 540801131 /nfs/dbraw/zinc/80/11/31/540801131.db2.gz AUWUMJTXNCYFIH-CYBMUJFWSA-N 0 3 297.395 2.846 20 30 CFEDHN CN(CCc1nccs1)Cc1cccc(C#N)c1 ZINC000179077313 189167521 /nfs/dbraw/zinc/16/75/21/189167521.db2.gz PWLXYGIGIRDFEG-UHFFFAOYSA-N 0 3 257.362 2.689 20 30 CFEDHN C=C(C)CN[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179659132 189210756 /nfs/dbraw/zinc/21/07/56/189210756.db2.gz KMCCJSMZHDCPPQ-CYBMUJFWSA-N 0 3 288.391 2.571 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](C)c2ccc(OCC)cc2)C1=O ZINC000684889984 540887649 /nfs/dbraw/zinc/88/76/49/540887649.db2.gz NDYUAZYBEFHLPP-BBRMVZONSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353593460 540913998 /nfs/dbraw/zinc/91/39/98/540913998.db2.gz LHOZTXPQZCSFKT-UHFFFAOYSA-N 0 3 273.302 2.843 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC)c1ccc(CC)cc1 ZINC000180030769 189233384 /nfs/dbraw/zinc/23/33/84/189233384.db2.gz KGXGJBVRPWMWIL-OAHLLOKOSA-N 0 3 260.381 2.592 20 30 CFEDHN CCN(CC)Cc1cccc(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000180332752 189250539 /nfs/dbraw/zinc/25/05/39/189250539.db2.gz PKOCMKNJBPIFRP-UHFFFAOYSA-N 0 3 296.374 2.980 20 30 CFEDHN Cc1ccc(C#N)cc1NC(=O)N(CCN(C)C)C(C)C ZINC000180698712 189270854 /nfs/dbraw/zinc/27/08/54/189270854.db2.gz IWNGQWQJTGUIHH-UHFFFAOYSA-N 0 3 288.395 2.671 20 30 CFEDHN CCC#C[C@H](C)N(C)CCCN(C)Cc1ccco1 ZINC000671739608 541063000 /nfs/dbraw/zinc/06/30/00/541063000.db2.gz VEMZNLNYKGBSDG-HNNXBMFYSA-N 0 3 262.397 2.835 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000671742869 541063813 /nfs/dbraw/zinc/06/38/13/541063813.db2.gz BOJMESIKAUCAQS-ARFHVFGLSA-N 0 3 297.345 2.791 20 30 CFEDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1cccc(C#N)c1 ZINC000183051409 189344383 /nfs/dbraw/zinc/34/43/83/189344383.db2.gz GGFWYZIWPVBFSB-RYUDHWBXSA-N 0 3 259.353 2.521 20 30 CFEDHN C=CCC[C@@H](NCCc1nncn1CC)c1ccco1 ZINC000671752149 541081186 /nfs/dbraw/zinc/08/11/86/541081186.db2.gz DBKRTQGARHPJPC-CYBMUJFWSA-N 0 3 274.368 2.731 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC[C@@H](C2CC2)N(C)C)c1 ZINC000302012322 201296468 /nfs/dbraw/zinc/29/64/68/201296468.db2.gz CZKMUEQHJMAQSH-INIZCTEOSA-N 0 3 271.364 2.513 20 30 CFEDHN CCCCCCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000144368939 781953578 /nfs/dbraw/zinc/95/35/78/781953578.db2.gz DEUNUZRBRIKQDY-CYBMUJFWSA-N 0 3 252.402 2.700 20 30 CFEDHN C=CCCCN(C)Cc1ccnn1-c1ccncc1 ZINC000667656428 541280854 /nfs/dbraw/zinc/28/08/54/541280854.db2.gz GPAPFLQJIOTZBH-UHFFFAOYSA-N 0 3 256.353 2.665 20 30 CFEDHN C[C@@H](NCCC[C@H](C)O)c1ccc(C#N)cc1F ZINC000433080089 240095937 /nfs/dbraw/zinc/09/59/37/240095937.db2.gz ABRBYNWBZWRJIG-WDEREUQCSA-N 0 3 250.317 2.509 20 30 CFEDHN C=C(C)COCCNCc1scnc1C1CC1 ZINC000487277705 541434480 /nfs/dbraw/zinc/43/44/80/541434480.db2.gz LECFJKYSJMPBSS-UHFFFAOYSA-N 0 3 252.383 2.703 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CCCCN2C2CC2)c1 ZINC000434782576 240272165 /nfs/dbraw/zinc/27/21/65/240272165.db2.gz GLSHELLBFAHSOK-AWEZNQCLSA-N 0 3 275.421 2.726 20 30 CFEDHN C=CC[C@@H](C(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000275396807 193021275 /nfs/dbraw/zinc/02/12/75/193021275.db2.gz XZVNWDHRGYIBTB-QGZVFWFLSA-N 0 3 286.419 2.901 20 30 CFEDHN C#CCCOc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1 ZINC000275690209 193105601 /nfs/dbraw/zinc/10/56/01/193105601.db2.gz AQFMHAZJVIMILW-KRWDZBQOSA-N 0 3 287.403 2.682 20 30 CFEDHN C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000443644658 241082841 /nfs/dbraw/zinc/08/28/41/241082841.db2.gz YYSCPQXYNNYCHL-KBPBESRZSA-N 0 3 285.391 2.865 20 30 CFEDHN Cc1cc(CNC[C@H]2Cc3ccccc3O2)ccc1C#N ZINC000443962505 241098425 /nfs/dbraw/zinc/09/84/25/241098425.db2.gz RQWJADKIUCJTOG-QGZVFWFLSA-N 0 3 278.355 2.960 20 30 CFEDHN Cc1cc(CNCCC(=O)N2CCCCCC2)ccc1C#N ZINC000443977596 241099149 /nfs/dbraw/zinc/09/91/49/241099149.db2.gz IQFFHJUZENXVEG-UHFFFAOYSA-N 0 3 299.418 2.749 20 30 CFEDHN Cc1cc(CNC[C@H](O)CC(C)(C)C)ccc1C#N ZINC000443985702 241102240 /nfs/dbraw/zinc/10/22/40/241102240.db2.gz GMAFFLWQMHCECI-OAHLLOKOSA-N 0 3 260.381 2.753 20 30 CFEDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cccc(C#N)c1 ZINC000443315433 241051923 /nfs/dbraw/zinc/05/19/23/241051923.db2.gz UEPIPXRPNXTFOL-IOASZLSFSA-N 0 3 258.365 2.540 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC000674090456 541539112 /nfs/dbraw/zinc/53/91/12/541539112.db2.gz GLGLREYPHWMIND-ZDUSSCGKSA-N 0 3 264.413 2.579 20 30 CFEDHN N#Cc1csc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000449550483 242020102 /nfs/dbraw/zinc/02/01/02/242020102.db2.gz CZBCKNWGFMEERC-MGPQQGTHSA-N 0 3 276.405 2.603 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000449736144 242125415 /nfs/dbraw/zinc/12/54/15/242125415.db2.gz LFFJOWSGIFJZGW-COLVAYQJSA-N 0 3 276.355 2.846 20 30 CFEDHN COC[C@@H]1CCCN(CCOc2ccccc2C#N)CC1 ZINC000452081377 243040276 /nfs/dbraw/zinc/04/02/76/243040276.db2.gz JSGUBSMILIBONG-OAHLLOKOSA-N 0 3 288.391 2.686 20 30 CFEDHN COC[C@@H]1CCCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000452104600 243047375 /nfs/dbraw/zinc/04/73/75/243047375.db2.gz NYFVPDDRBCEXLS-CQSZACIVSA-N 0 3 288.391 2.815 20 30 CFEDHN C[C@@H](NCC1([S@](C)=O)CCC1)c1ccc(C#N)cc1 ZINC000280876136 296120116 /nfs/dbraw/zinc/12/01/16/296120116.db2.gz AMPNDWAABZJROA-BLVKFPJESA-N 0 3 276.405 2.510 20 30 CFEDHN C=CCNC(=O)CN[C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000675905691 541707036 /nfs/dbraw/zinc/70/70/36/541707036.db2.gz BWGZYDRPBZRGMX-MRXNPFEDSA-N 0 3 297.402 2.746 20 30 CFEDHN CCCCN(C)CCNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000456003663 244045816 /nfs/dbraw/zinc/04/58/16/244045816.db2.gz OAAXGEXGHMDMNM-UHFFFAOYSA-N 0 3 288.395 2.720 20 30 CFEDHN CC(C)[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330846213 203308024 /nfs/dbraw/zinc/30/80/24/203308024.db2.gz OBZHTYVBIDAZOZ-KRWDZBQOSA-N 0 3 299.418 2.685 20 30 CFEDHN C=CCCN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000276142648 193224900 /nfs/dbraw/zinc/22/49/00/193224900.db2.gz OPFFHAFBMCUVMI-HNNXBMFYSA-N 0 3 289.423 2.724 20 30 CFEDHN CCC(O)(CC)CCNCc1ccc(C#N)s1 ZINC000276274526 193267996 /nfs/dbraw/zinc/26/79/96/193267996.db2.gz VQLIEOSWGQGHFO-UHFFFAOYSA-N 0 3 252.383 2.651 20 30 CFEDHN C#CC[C@@H](NC[C@H](O)CC(F)(F)F)c1ccccc1 ZINC000276295728 193275630 /nfs/dbraw/zinc/27/56/30/193275630.db2.gz WIMMILBSKDFOEB-CHWSQXEVSA-N 0 3 271.282 2.654 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000276346150 193294415 /nfs/dbraw/zinc/29/44/15/193294415.db2.gz CVPHISZVQYFYPJ-LSDHHAIUSA-N 0 3 274.408 2.803 20 30 CFEDHN C[C@H]1CC[C@@H](CNC2(c3cccc(C#N)c3)CC2)O1 ZINC000276453584 193337397 /nfs/dbraw/zinc/33/73/97/193337397.db2.gz UWJSQNDVKJPCKG-WFASDCNBSA-N 0 3 256.349 2.704 20 30 CFEDHN C[C@@H]1CC[C@@H](CNC2(c3cccc(C#N)c3)CC2)O1 ZINC000276453570 193337488 /nfs/dbraw/zinc/33/74/88/193337488.db2.gz UWJSQNDVKJPCKG-DOMZBBRYSA-N 0 3 256.349 2.704 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NCCC=C(C)C)CC1 ZINC000276571342 193385102 /nfs/dbraw/zinc/38/51/02/193385102.db2.gz LYXLNXRANIUTAX-UHFFFAOYSA-N 0 3 279.428 2.682 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(NC(=O)c2ccoc2C)CC1 ZINC000677048131 541813565 /nfs/dbraw/zinc/81/35/65/541813565.db2.gz NRVKFJLQOTWJOA-CYBMUJFWSA-N 0 3 288.391 2.584 20 30 CFEDHN CCC#C[C@@H](C)N1CCC(c2nnc3ccccn32)CC1 ZINC000677048265 541813907 /nfs/dbraw/zinc/81/39/07/541813907.db2.gz SRWCXUQPRMNPSV-CQSZACIVSA-N 0 3 282.391 2.711 20 30 CFEDHN COCC#CCN(C)CCc1ccc(Br)cc1 ZINC000677133178 541826008 /nfs/dbraw/zinc/82/60/08/541826008.db2.gz LEMDCIJXRXFUBV-UHFFFAOYSA-N 0 3 296.208 2.573 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)CC2CC2)cc1OC ZINC000677246396 541838041 /nfs/dbraw/zinc/83/80/41/541838041.db2.gz YZTBLAQVQPTQDT-HNNXBMFYSA-N 0 3 291.391 2.511 20 30 CFEDHN CC[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000030144384 372390504 /nfs/dbraw/zinc/39/05/04/372390504.db2.gz OMZRXACZJARWLP-WMLDXEAASA-N 0 3 297.402 2.786 20 30 CFEDHN CCN(CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000035766144 372550730 /nfs/dbraw/zinc/55/07/30/372550730.db2.gz YSDKBMIDWHORBU-UHFFFAOYSA-N 0 3 271.364 2.761 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000038014234 372767777 /nfs/dbraw/zinc/76/77/77/372767777.db2.gz XLIHSCWTZHSTMS-QWHCGFSZSA-N 0 3 273.380 2.514 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1F ZINC000451699936 383686144 /nfs/dbraw/zinc/68/61/44/383686144.db2.gz MLALMQXBEWNVAE-XNRPHZJLSA-N 0 3 288.366 2.680 20 30 CFEDHN CC1=C(C)CN(CCOc2cccc(C#N)c2)CC1 ZINC000483377613 245667019 /nfs/dbraw/zinc/66/70/19/245667019.db2.gz NELMNLONJULCBP-UHFFFAOYSA-N 0 3 256.349 2.979 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000044814696 373010596 /nfs/dbraw/zinc/01/05/96/373010596.db2.gz TUNHBNKQIQDJPF-CYBMUJFWSA-N 0 3 256.349 2.627 20 30 CFEDHN N#Cc1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000045753698 373032339 /nfs/dbraw/zinc/03/23/39/373032339.db2.gz RSXKTJZSTSUESY-UHFFFAOYSA-N 0 3 269.392 2.618 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000289817697 197494646 /nfs/dbraw/zinc/49/46/46/197494646.db2.gz OVORHQMDLKAQOR-BXKDBHETSA-N 0 3 259.271 2.903 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C)C(C)(C)C1 ZINC000571365097 383687958 /nfs/dbraw/zinc/68/79/58/383687958.db2.gz OLBKUEPCVDZALA-ZDUSSCGKSA-N 0 3 257.381 2.645 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCN(C)C(C)(C)C1 ZINC000571365095 383687981 /nfs/dbraw/zinc/68/79/81/383687981.db2.gz OLBKUEPCVDZALA-CYBMUJFWSA-N 0 3 257.381 2.645 20 30 CFEDHN N#Cc1ccccc1CN(CCO)C1CCCCC1 ZINC000049854974 373324068 /nfs/dbraw/zinc/32/40/68/373324068.db2.gz XZKUAZCPRCDVDO-UHFFFAOYSA-N 0 3 258.365 2.685 20 30 CFEDHN C#C[C@@H](NCc1ccc(-n2cccn2)cc1)C(C)C ZINC000289685915 197446690 /nfs/dbraw/zinc/44/66/90/197446690.db2.gz ZVOPRASQCMMKTA-MRXNPFEDSA-N 0 3 253.349 2.620 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000054183339 373504260 /nfs/dbraw/zinc/50/42/60/373504260.db2.gz OWMCOSBBLSMIBJ-DLBZAZTESA-N 0 3 271.408 2.933 20 30 CFEDHN C=C(C)COc1cc(CN[C@H](CC)CO)ccc1OC ZINC000057958847 373619114 /nfs/dbraw/zinc/61/91/14/373619114.db2.gz AJTKMFOJCNSBCH-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000431759602 383695343 /nfs/dbraw/zinc/69/53/43/383695343.db2.gz PLVUFWHOMRUEDX-GDBMZVCRSA-N 0 3 291.439 2.792 20 30 CFEDHN CC[C@@H]1CN(CC)CCN1Cc1cccc(F)c1C#N ZINC000451739220 383696143 /nfs/dbraw/zinc/69/61/43/383696143.db2.gz JJZXBPREKRUCFF-CQSZACIVSA-N 0 3 275.371 2.613 20 30 CFEDHN C=CCN(CC=C)C[C@@H](O)COCc1ccccc1Cl ZINC000068048761 374019432 /nfs/dbraw/zinc/01/94/32/374019432.db2.gz JRZOOHPULOCSEB-OAHLLOKOSA-N 0 3 295.810 2.892 20 30 CFEDHN Cc1ccc(CN(C)CCC(=O)Nc2cccc(C#N)c2)o1 ZINC000068366467 374027734 /nfs/dbraw/zinc/02/77/34/374027734.db2.gz PTQQVMRMAUPOAG-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN C=CCN(CC(=O)N(C)C1CC1)CC1CCCCC1 ZINC000070015829 374117451 /nfs/dbraw/zinc/11/74/51/374117451.db2.gz DQEFFGNMYUSPKM-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(CC(=O)NC(C)C)CC1CCCCC1 ZINC000069860147 374105418 /nfs/dbraw/zinc/10/54/18/374105418.db2.gz MFGFVROKYRIFSM-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN COCC#CCN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000677818214 541909782 /nfs/dbraw/zinc/90/97/82/541909782.db2.gz HNXLQDJFJZEPSN-ROUUACIJSA-N 0 3 287.403 2.736 20 30 CFEDHN CCCCO[C@@H]1C[C@H](N(C)CC#CCOC)C1(C)C ZINC000677819277 541909829 /nfs/dbraw/zinc/90/98/29/541909829.db2.gz WBBXOGHNPUXMCJ-LSDHHAIUSA-N 0 3 267.413 2.552 20 30 CFEDHN CC(C)[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000072879372 374298022 /nfs/dbraw/zinc/29/80/22/374298022.db2.gz IYOGEULMOYVGSY-HOCLYGCPSA-N 0 3 287.407 2.734 20 30 CFEDHN CCC[C@H]1[C@@H](C)CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000072775049 374284936 /nfs/dbraw/zinc/28/49/36/374284936.db2.gz UVEHYSWFJFKROM-JYJNAYRXSA-N 0 3 293.455 2.895 20 30 CFEDHN CCN(CC(C)CN(CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000074351716 374416160 /nfs/dbraw/zinc/41/61/60/374416160.db2.gz KRKBHHDFSQHUQB-GJZGRUSLSA-N 0 3 278.444 2.586 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000678049974 541942466 /nfs/dbraw/zinc/94/24/66/541942466.db2.gz RPBRPLJSSGFDKK-GXTWGEPZSA-N 0 3 272.396 2.663 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(CCC(C)C)C1CC1 ZINC000076904441 374559959 /nfs/dbraw/zinc/55/99/59/374559959.db2.gz UZAYEHDUTLWTIJ-CQSZACIVSA-N 0 3 279.428 2.505 20 30 CFEDHN C=C(C)CN(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383199 374561479 /nfs/dbraw/zinc/56/14/79/374561479.db2.gz QXOKNQRKHXZQKA-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN C=CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000079939198 374635930 /nfs/dbraw/zinc/63/59/30/374635930.db2.gz MDSZNUUGURKJFF-ZBFHGGJFSA-N 0 3 287.407 2.525 20 30 CFEDHN N#Cc1ccc(CNCCCNc2ccccc2)o1 ZINC000083470533 374746723 /nfs/dbraw/zinc/74/67/23/374746723.db2.gz SSKRKJLVILOAGF-UHFFFAOYSA-N 0 3 255.321 2.743 20 30 CFEDHN C=C1CCN(Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000678243281 541983325 /nfs/dbraw/zinc/98/33/25/541983325.db2.gz XRYNHXNVHMZDFH-UHFFFAOYSA-N 0 3 274.408 2.779 20 30 CFEDHN CC[C@@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000086507041 374803763 /nfs/dbraw/zinc/80/37/63/374803763.db2.gz LKQGHIKMZZKSJU-GFCCVEGCSA-N 0 3 261.344 2.618 20 30 CFEDHN CCO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000087710227 374827863 /nfs/dbraw/zinc/82/78/63/374827863.db2.gz XLQXTUGDZXYGTK-HZPDHXFCSA-N 0 3 270.376 2.996 20 30 CFEDHN C=CCC[C@@H](N[C@H](C)CS(C)(=O)=O)c1ccccc1 ZINC000089633825 374931737 /nfs/dbraw/zinc/93/17/37/374931737.db2.gz GBRCATKYHNRQCY-UKRRQHHQSA-N 0 3 281.421 2.717 20 30 CFEDHN C=CCOc1ccccc1CN1CCN(CC)[C@H](C)C1 ZINC000678261737 541988440 /nfs/dbraw/zinc/98/84/40/541988440.db2.gz QICHXKYNQDBCRQ-OAHLLOKOSA-N 0 3 274.408 2.777 20 30 CFEDHN C=C1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000264183829 383705643 /nfs/dbraw/zinc/70/56/43/383705643.db2.gz ORQZKMWNVWYVRO-KRWDZBQOSA-N 0 3 284.403 2.830 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(n2ccnc2)CC1 ZINC000092648781 375135908 /nfs/dbraw/zinc/13/59/08/375135908.db2.gz BUBOFBUXIBNEPJ-UHFFFAOYSA-N 0 3 295.386 2.732 20 30 CFEDHN C=CCOc1ccc(CN(C)CCCOC)cc1OC ZINC000092537235 375120152 /nfs/dbraw/zinc/12/01/52/375120152.db2.gz CVFXUJHIJPAWSX-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@H](COCC)C2)cc1 ZINC000093419273 375234109 /nfs/dbraw/zinc/23/41/09/375234109.db2.gz NHUZIYHROCHOLO-QGZVFWFLSA-N 0 3 287.403 2.947 20 30 CFEDHN C=CCCCCCN(C)Cc1c[nH]c(C(=O)OC)c1 ZINC000093498041 375256099 /nfs/dbraw/zinc/25/60/99/375256099.db2.gz KULQQVLHNWPEDP-UHFFFAOYSA-N 0 3 264.369 2.980 20 30 CFEDHN COc1ccc(COCCNCc2cccc(C#N)c2)cc1 ZINC000093112371 375189726 /nfs/dbraw/zinc/18/97/26/375189726.db2.gz SQEWPTPHFJVRTB-UHFFFAOYSA-N 0 3 296.370 2.873 20 30 CFEDHN N#Cc1csc(CNCC2(O)CCCCCC2)c1 ZINC000093492673 375254040 /nfs/dbraw/zinc/25/40/40/375254040.db2.gz IIQWKUDANDROMT-UHFFFAOYSA-N 0 3 264.394 2.795 20 30 CFEDHN C#CCCOc1ccc(CN2CCC[C@@H](COC)C2)cc1 ZINC000093337827 375214547 /nfs/dbraw/zinc/21/45/47/375214547.db2.gz DCTOCFBLESXMLT-QGZVFWFLSA-N 0 3 287.403 2.947 20 30 CFEDHN C#CCOc1ccccc1CN(C)CCc1nccs1 ZINC000093843995 375321351 /nfs/dbraw/zinc/32/13/51/375321351.db2.gz HDAOLLVJDVRZAT-UHFFFAOYSA-N 0 3 286.400 2.830 20 30 CFEDHN C=CCOc1ccc(CN2CCCOC[C@H]2C)cc1 ZINC000678274592 541995521 /nfs/dbraw/zinc/99/55/21/541995521.db2.gz QLCFLYXOOOZQPY-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN CC(C)CN(Cc1cnn(C)c1)Cc1ccc(C#N)cc1 ZINC000505802377 247153619 /nfs/dbraw/zinc/15/36/19/247153619.db2.gz NFENWGJEDNPKCN-UHFFFAOYSA-N 0 3 282.391 2.950 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000103054074 375710350 /nfs/dbraw/zinc/71/03/50/375710350.db2.gz HTCDMPXTYZDSAP-IRXDYDNUSA-N 0 3 290.451 2.663 20 30 CFEDHN CCN(CCC#N)C(=O)CN[C@H](c1ccccc1)C1CCC1 ZINC000104702725 375786230 /nfs/dbraw/zinc/78/62/30/375786230.db2.gz JPUYEXSYRPOHMI-GOSISDBHSA-N 0 3 299.418 2.880 20 30 CFEDHN COCC#CCN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000678734688 542062993 /nfs/dbraw/zinc/06/29/93/542062993.db2.gz AZLGQLIQJZIBHH-NSHDSACASA-N 0 3 287.281 2.886 20 30 CFEDHN COCCN(CCCCC#N)Cc1ccc2c(c1)OCO2 ZINC000111692752 375863978 /nfs/dbraw/zinc/86/39/78/375863978.db2.gz YEUQVBWRGSYWRX-UHFFFAOYSA-N 0 3 290.363 2.558 20 30 CFEDHN C=CCC[C@H](NCC(=O)Nc1ccon1)c1ccccc1 ZINC000678785840 542069435 /nfs/dbraw/zinc/06/94/35/542069435.db2.gz TXIXWDKLBGFTEL-AWEZNQCLSA-N 0 3 285.347 2.910 20 30 CFEDHN CN(C)CCN(C(=O)c1sccc1C#N)C1CCCC1 ZINC000112915927 375975074 /nfs/dbraw/zinc/97/50/74/375975074.db2.gz HWBXFBKSFQRDNB-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN C[C@@H]1SCCN(CCOc2ccc(C#N)cc2)[C@H]1C ZINC000112643767 375940491 /nfs/dbraw/zinc/94/04/91/375940491.db2.gz JUYPATSSWHUPPY-STQMWFEESA-N 0 3 276.405 2.763 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(C2OCCO2)CC1 ZINC000118396400 376290631 /nfs/dbraw/zinc/29/06/31/376290631.db2.gz VOBOIOUYRHSWNK-ZDUSSCGKSA-N 0 3 286.375 2.704 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](CCC(N)=O)C1 ZINC000118396974 376292975 /nfs/dbraw/zinc/29/29/75/376292975.db2.gz CKZBQDNRKMUTNO-DZGCQCFKSA-N 0 3 285.391 2.597 20 30 CFEDHN CC(C)CO[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000119665094 376448176 /nfs/dbraw/zinc/44/81/76/376448176.db2.gz ZILCWEYOBWCKKU-KRWDZBQOSA-N 0 3 288.391 2.684 20 30 CFEDHN CC(C)CO[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000119664924 376448577 /nfs/dbraw/zinc/44/85/77/376448577.db2.gz ZILCWEYOBWCKKU-QGZVFWFLSA-N 0 3 288.391 2.684 20 30 CFEDHN CC#CCN1CCC(Nc2cccc(OC)c2)CC1 ZINC000119753869 376466429 /nfs/dbraw/zinc/46/64/29/376466429.db2.gz UOWMEAYCCFVDPD-UHFFFAOYSA-N 0 3 258.365 2.595 20 30 CFEDHN Cc1cnn([C@H]2CCCN(CCC(C)(C)C#N)C2)c1 ZINC000119918838 376503933 /nfs/dbraw/zinc/50/39/33/376503933.db2.gz IONRDGSJLXGZOP-AWEZNQCLSA-N 0 3 260.385 2.768 20 30 CFEDHN CN(Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120170536 376561133 /nfs/dbraw/zinc/56/11/33/376561133.db2.gz ICWJFNPZENLZFX-OAGGEKHMSA-N 0 3 270.376 2.804 20 30 CFEDHN CC[C@H](COC)NCc1cccc(OCCCC#N)c1 ZINC000120229924 376573717 /nfs/dbraw/zinc/57/37/17/376573717.db2.gz VUTQSSSNSDDSDK-OAHLLOKOSA-N 0 3 276.380 2.884 20 30 CFEDHN CCC(CC)(CO)CNCc1ccc(C#N)s1 ZINC000120495636 376625926 /nfs/dbraw/zinc/62/59/26/376625926.db2.gz UPJSKGWCLOCDOR-UHFFFAOYSA-N 0 3 252.383 2.508 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)CCC1CCOCC1 ZINC000121205545 376782282 /nfs/dbraw/zinc/78/22/82/376782282.db2.gz KQPQWBUHBSNRJS-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN C=CCN(C)Cc1ccc(I)cc1 ZINC000121526164 376850322 /nfs/dbraw/zinc/85/03/22/376850322.db2.gz RIHITLJLUHDREP-UHFFFAOYSA-N 0 3 287.144 2.909 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)[C@@H](C)C1 ZINC000122448044 376929881 /nfs/dbraw/zinc/92/98/81/376929881.db2.gz VLCRUQBVUMFDLF-ILXRZTDVSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCN(CC=C)[C@H](CNc1nccc(C)n1)C(C)C ZINC000122601766 376934458 /nfs/dbraw/zinc/93/44/58/376934458.db2.gz SSNNTXQNFOILTB-OAHLLOKOSA-N 0 3 274.412 2.896 20 30 CFEDHN CC[C@@H](NCc1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278151681 193845485 /nfs/dbraw/zinc/84/54/85/193845485.db2.gz AESXGQXCLVZTJQ-OAHLLOKOSA-N 0 3 254.337 2.533 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1CC(C)C ZINC000130226827 377524996 /nfs/dbraw/zinc/52/49/96/377524996.db2.gz VDOMNBZMIVQYQS-LSDHHAIUSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCOCCN[C@@H]1CCc2c1cc(F)cc2F ZINC000679463290 542192634 /nfs/dbraw/zinc/19/26/34/542192634.db2.gz VEYJVLWAOALUMQ-CQSZACIVSA-N 0 3 253.292 2.744 20 30 CFEDHN C#CCN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000130866594 377622179 /nfs/dbraw/zinc/62/21/79/377622179.db2.gz QKVANJSPFUBTKU-CYBMUJFWSA-N 0 3 253.349 2.684 20 30 CFEDHN C#CCN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130866594 377622189 /nfs/dbraw/zinc/62/21/89/377622189.db2.gz QKVANJSPFUBTKU-CYBMUJFWSA-N 0 3 253.349 2.684 20 30 CFEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000131772617 377759999 /nfs/dbraw/zinc/75/99/99/377759999.db2.gz KLXPUJOOXJHPIM-ZDUSSCGKSA-N 0 3 295.427 2.867 20 30 CFEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000131809453 377761011 /nfs/dbraw/zinc/76/10/11/377761011.db2.gz WUQOAPKBUXMSMN-GFCCVEGCSA-N 0 3 293.798 2.753 20 30 CFEDHN C=CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000133016541 377895397 /nfs/dbraw/zinc/89/53/97/377895397.db2.gz TYDCFCJACLZZKZ-OAHLLOKOSA-N 0 3 261.365 2.949 20 30 CFEDHN C=CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000133016541 377895399 /nfs/dbraw/zinc/89/53/99/377895399.db2.gz TYDCFCJACLZZKZ-OAHLLOKOSA-N 0 3 261.365 2.949 20 30 CFEDHN C[C@@H](NC(C)(C)CNC(=O)C1(C#N)CCC1)c1ccccc1 ZINC000134830721 378052805 /nfs/dbraw/zinc/05/28/05/378052805.db2.gz TYLCUKFWSBJFDP-CQSZACIVSA-N 0 3 299.418 2.926 20 30 CFEDHN CSC[C@H]1CCCN1CCOc1ccccc1C#N ZINC000135437491 378131414 /nfs/dbraw/zinc/13/14/14/378131414.db2.gz JPAXBLSQNCMJHZ-CQSZACIVSA-N 0 3 276.405 2.764 20 30 CFEDHN CCN(CCC(=O)OC)Cc1ccccc1C(C)(C)C#N ZINC000135161552 378093764 /nfs/dbraw/zinc/09/37/64/378093764.db2.gz WCVCPGPRNABKQO-UHFFFAOYSA-N 0 3 288.391 2.873 20 30 CFEDHN CN(CCn1cccn1)Cc1ccccc1C(C)(C)C#N ZINC000135216956 378099095 /nfs/dbraw/zinc/09/90/95/378099095.db2.gz BOXKCTWVRSQWGF-UHFFFAOYSA-N 0 3 282.391 2.816 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC1CC1 ZINC000135254151 378104988 /nfs/dbraw/zinc/10/49/88/378104988.db2.gz ZTUDXCBDVWOHPO-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCOC3(CCCC3)C2)o1 ZINC000136716002 378206875 /nfs/dbraw/zinc/20/68/75/378206875.db2.gz DWQDIZUCMGHYCJ-LBPRGKRZSA-N 0 3 260.337 2.733 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cc(C)cc(C)c2)CC1 ZINC000264342434 383728484 /nfs/dbraw/zinc/72/84/84/383728484.db2.gz FDKNBXWHHKBBNO-MRXNPFEDSA-N 0 3 298.430 2.826 20 30 CFEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1 ZINC000151899714 378371040 /nfs/dbraw/zinc/37/10/40/378371040.db2.gz MFJGDGCYVGWOFZ-UHFFFAOYSA-N 0 3 290.407 2.664 20 30 CFEDHN CC1(C)CCCN(CCNC(=O)c2ncoc2C2CC2)C1 ZINC000328976328 378445532 /nfs/dbraw/zinc/44/55/32/378445532.db2.gz BPMQRFKJVMACPC-UHFFFAOYSA-N 0 3 291.395 2.979 20 30 CFEDHN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329476584 378462546 /nfs/dbraw/zinc/46/25/46/378462546.db2.gz UEJKMXIVIWSSIZ-UNEWFSDZSA-N 0 3 294.439 2.901 20 30 CFEDHN CCN1CCC[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 ZINC000328760787 378422721 /nfs/dbraw/zinc/42/27/21/378422721.db2.gz XMTVGNXQSPOVMT-AWEZNQCLSA-N 0 3 295.427 2.964 20 30 CFEDHN [O-]C(NCCn1ccnc1)=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328801431 378426856 /nfs/dbraw/zinc/42/68/56/378426856.db2.gz ZIHSRKJAVGHBQR-RRFJBIMHSA-N 0 3 290.411 2.746 20 30 CFEDHN [O-]C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)=[NH+]CCn1ccnc1 ZINC000328801431 378426860 /nfs/dbraw/zinc/42/68/60/378426860.db2.gz ZIHSRKJAVGHBQR-RRFJBIMHSA-N 0 3 290.411 2.746 20 30 CFEDHN C[C@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3)CN1C1CC1 ZINC000329705761 378484243 /nfs/dbraw/zinc/48/42/43/378484243.db2.gz JOBKQQVJDOTVFA-WFASDCNBSA-N 0 3 296.418 2.869 20 30 CFEDHN CC(C)N1CCC[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC000329857021 378506095 /nfs/dbraw/zinc/50/60/95/378506095.db2.gz YSYLAVCYXOVYBT-WFASDCNBSA-N 0 3 281.400 2.572 20 30 CFEDHN NC(=O)C1(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000329915037 378512564 /nfs/dbraw/zinc/51/25/64/378512564.db2.gz PLYUCPITSXNTQX-UHFFFAOYSA-N 0 3 287.363 2.655 20 30 CFEDHN C[C@H](NCc1ccccc1CO)c1ccc(C#N)cc1 ZINC000154089882 378538356 /nfs/dbraw/zinc/53/83/56/378538356.db2.gz HHJBHOUWPRHFHE-ZDUSSCGKSA-N 0 3 266.344 2.901 20 30 CFEDHN CC1CCC(N(C)CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000330414869 378549570 /nfs/dbraw/zinc/54/95/70/378549570.db2.gz CQZYKCYXTCHNPZ-UHFFFAOYSA-N 0 3 299.418 2.685 20 30 CFEDHN Cc1csc(NC(=O)C(C#N)c2nc(C)c(C)s2)n1 ZINC000155649455 378630647 /nfs/dbraw/zinc/63/06/47/378630647.db2.gz FIBMYJNSGKJDNF-VIFPVBQESA-N 0 3 292.389 2.771 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@H]1CCO)c1ccc(C#N)cc1F ZINC000331148710 378640386 /nfs/dbraw/zinc/64/03/86/378640386.db2.gz AADZETRCIHZODO-RBOXIYTFSA-N 0 3 276.355 2.899 20 30 CFEDHN Cc1csc(C(C#N)C(=O)Nc2ccc(F)cc2)n1 ZINC000155401382 378625050 /nfs/dbraw/zinc/62/50/50/378625050.db2.gz PTLVVCGKNNMHAU-NSHDSACASA-N 0 3 275.308 2.837 20 30 CFEDHN C[C@H]1CN(CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000157647920 378658471 /nfs/dbraw/zinc/65/84/71/378658471.db2.gz JOZVYDIHVMJVGP-HNNXBMFYSA-N 0 3 290.455 2.872 20 30 CFEDHN C=C(C)CN1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158160208 378664768 /nfs/dbraw/zinc/66/47/68/378664768.db2.gz XXPAXXQXEKJNFA-INIZCTEOSA-N 0 3 280.412 2.895 20 30 CFEDHN C=C(C)CN(CC)Cc1c[nH]nc1-c1cccnc1 ZINC000159008264 378680441 /nfs/dbraw/zinc/68/04/41/378680441.db2.gz JJVXMGMKXLQJBB-UHFFFAOYSA-N 0 3 256.353 2.870 20 30 CFEDHN CN(CC(=O)NCc1cccc(C#N)c1)C1CCCCCC1 ZINC000331484139 378693569 /nfs/dbraw/zinc/69/35/69/378693569.db2.gz IXQAHVBDCRQTNW-UHFFFAOYSA-N 0 3 299.418 2.829 20 30 CFEDHN CCC(C)(C)[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000156774362 378645122 /nfs/dbraw/zinc/64/51/22/378645122.db2.gz YHLWUUNVVBRUQD-YOEHRIQHSA-N 0 3 291.439 2.695 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@H]2CC(N)=O)cc1F ZINC000331193533 378647516 /nfs/dbraw/zinc/64/75/16/378647516.db2.gz XZXMVFQZICOJHT-ZDUSSCGKSA-N 0 3 275.327 2.977 20 30 CFEDHN C[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000332057293 378722154 /nfs/dbraw/zinc/72/21/54/378722154.db2.gz ZRXOLRDMPZQPLE-CABCVRRESA-N 0 3 299.418 2.542 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N(C)CCOCC1CC1 ZINC000159756698 378729357 /nfs/dbraw/zinc/72/93/57/378729357.db2.gz FDOYSXRJQDHWLQ-ZDUSSCGKSA-N 0 3 258.365 2.978 20 30 CFEDHN C[C@H](N[C@H]1CCc2n[nH]cc2C1)c1ccc(C#N)cc1F ZINC000332650402 378782501 /nfs/dbraw/zinc/78/25/01/378782501.db2.gz IFRTVUXJURCYOA-GWCFXTLKSA-N 0 3 284.338 2.629 20 30 CFEDHN CCN1CCCC[C@H]1CNc1nc(C)ccc1C#N ZINC000161392287 378842540 /nfs/dbraw/zinc/84/25/40/378842540.db2.gz IWYSHNTUUSTWFA-AWEZNQCLSA-N 0 3 258.369 2.548 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H]2C2CCOCC2)o1 ZINC000334191863 378905412 /nfs/dbraw/zinc/90/54/12/378905412.db2.gz HSXBSOYAPHUMAS-HNNXBMFYSA-N 0 3 260.337 2.542 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000335310686 379059132 /nfs/dbraw/zinc/05/91/32/379059132.db2.gz QUILIDWFZOCECR-BDAKNGLRSA-N 0 3 259.334 2.633 20 30 CFEDHN C=CCc1cc(CN[C@@H](CO)C(C)(C)C)cc(OC)c1O ZINC000278711831 194116938 /nfs/dbraw/zinc/11/69/38/194116938.db2.gz OOSYRRKCBDDVTH-HNNXBMFYSA-N 0 3 293.407 2.626 20 30 CFEDHN CCC(=O)N1CC[C@H](N[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000278735565 194130127 /nfs/dbraw/zinc/13/01/27/194130127.db2.gz NAZSNOPHAIUTCN-HOTGVXAUSA-N 0 3 285.391 2.610 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccncc2C)CC1 ZINC000278748860 194137626 /nfs/dbraw/zinc/13/76/26/194137626.db2.gz WYMCFFRNAHWMPY-OAHLLOKOSA-N 0 3 290.407 2.560 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC=CCC2)CC1 ZINC000264397519 383734628 /nfs/dbraw/zinc/73/46/28/383734628.db2.gz PGUJZVYWLHXWRC-HNNXBMFYSA-N 0 3 291.439 2.682 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)CCC1 ZINC000334368495 379171875 /nfs/dbraw/zinc/17/18/75/379171875.db2.gz SMBSVWOOROGVTA-INIZCTEOSA-N 0 3 276.424 2.677 20 30 CFEDHN CC(C#N)C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000334411839 379252916 /nfs/dbraw/zinc/25/29/16/379252916.db2.gz UQPHDZIFYAKPBU-CYBMUJFWSA-N 0 3 256.349 2.726 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000636172338 383735703 /nfs/dbraw/zinc/73/57/03/383735703.db2.gz XARUDCUMWLVIDB-ZBFHGGJFSA-N 0 3 276.424 2.818 20 30 CFEDHN CN1CCN(CC#Cc2ccccc2Cl)C(C)(C)C1 ZINC000334461841 379341083 /nfs/dbraw/zinc/34/10/83/379341083.db2.gz WNALEEBZCKXMKG-UHFFFAOYSA-N 0 3 276.811 2.718 20 30 CFEDHN C=CCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000171433120 379308000 /nfs/dbraw/zinc/30/80/00/379308000.db2.gz JFEQKGKWQNSMAE-UHFFFAOYSA-N 0 3 286.419 2.776 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000171639537 379361963 /nfs/dbraw/zinc/36/19/63/379361963.db2.gz FBRGDULQPZMGHA-UHFFFAOYSA-N 0 3 298.390 2.940 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccccc1)C1CCCC1 ZINC000171934787 379443993 /nfs/dbraw/zinc/44/39/93/379443993.db2.gz UZJIWTPBVOJXNJ-KRWDZBQOSA-N 0 3 272.392 2.810 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCCN(C2CC2)CC1 ZINC000172541871 379592707 /nfs/dbraw/zinc/59/27/07/379592707.db2.gz IZCFOWJIMIOXOE-AWEZNQCLSA-N 0 3 269.392 2.789 20 30 CFEDHN C[C@@H]1C[C@H](O)CN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000335586385 379563861 /nfs/dbraw/zinc/56/38/61/379563861.db2.gz NQOYHDVGIAPMFI-HIFRSBDPSA-N 0 3 272.392 2.690 20 30 CFEDHN CC(C(=O)Nc1ccc(F)cc1C#N)C(F)(F)F ZINC000335738221 379808629 /nfs/dbraw/zinc/80/86/29/379808629.db2.gz NUZPEAQGUODSQZ-ZCFIWIBFSA-N 0 3 260.190 2.834 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCCCC#N ZINC000174238344 379849282 /nfs/dbraw/zinc/84/92/82/379849282.db2.gz ISDOALWXQOIHGC-CYBMUJFWSA-N 0 3 281.400 2.669 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCSC2)cc1F ZINC000334737184 379851723 /nfs/dbraw/zinc/85/17/23/379851723.db2.gz ASSJWASDCXRWDK-LBPRGKRZSA-N 0 3 250.342 2.683 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)N1CCc2ccccc2C1 ZINC000174255662 379851818 /nfs/dbraw/zinc/85/18/18/379851818.db2.gz IOUKDTJVHOPWCZ-CQSZACIVSA-N 0 3 295.386 2.688 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)o1)N(C)c1ccccc1 ZINC000174270535 379856311 /nfs/dbraw/zinc/85/63/11/379856311.db2.gz ZYRPMVGFETVFGM-ZDUSSCGKSA-N 0 3 269.348 2.766 20 30 CFEDHN CCOc1ccccc1CCNCc1ccc(C#N)o1 ZINC000174357415 379870583 /nfs/dbraw/zinc/87/05/83/379870583.db2.gz APQPZNYZDIRGJF-UHFFFAOYSA-N 0 3 270.332 2.882 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000335048602 379962885 /nfs/dbraw/zinc/96/28/85/379962885.db2.gz DJFXYZQMKGTZGO-NSHDSACASA-N 0 3 292.329 2.906 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000335082123 379969773 /nfs/dbraw/zinc/96/97/73/379969773.db2.gz CKPYKUGKYUBSQU-CQSZACIVSA-N 0 3 278.440 2.922 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc3c(n2)CCCC3)C1 ZINC000335839576 379974335 /nfs/dbraw/zinc/97/43/35/379974335.db2.gz QOCZTLWHMASVMR-GXTWGEPZSA-N 0 3 255.365 2.742 20 30 CFEDHN C[C@H]1CN(C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000335815933 379936590 /nfs/dbraw/zinc/93/65/90/379936590.db2.gz JOQHHATWQHELCC-AWEZNQCLSA-N 0 3 271.408 2.624 20 30 CFEDHN C[C@@H]1CSC[C@H]1NCc1cccc(C#N)c1F ZINC000335824011 379949931 /nfs/dbraw/zinc/94/99/31/379949931.db2.gz KOQKFKQCEWWJEW-BXKDBHETSA-N 0 3 250.342 2.538 20 30 CFEDHN COc1ccccc1[C@@H]1CCCN1C(=O)C(C)C#N ZINC000335143292 379982082 /nfs/dbraw/zinc/98/20/82/379982082.db2.gz JCKQBDZEASRUNR-AAEUAGOBSA-N 0 3 258.321 2.518 20 30 CFEDHN C[C@@H]1CC(C)(C)CN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000335208059 380010705 /nfs/dbraw/zinc/01/07/05/380010705.db2.gz OVDGWYGDVHYOHP-CZUORRHYSA-N 0 3 295.386 2.888 20 30 CFEDHN CC1(C)COC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC000335221872 380031629 /nfs/dbraw/zinc/03/16/29/380031629.db2.gz JOOYJZUYCXQYIM-GJZGRUSLSA-N 0 3 256.349 2.560 20 30 CFEDHN CCN1CC[C@@H](N(C)C(=O)c2cc(C#N)cs2)C[C@H]1C ZINC000335884320 380048908 /nfs/dbraw/zinc/04/89/08/380048908.db2.gz PTKNSIOKIBWINM-DGCLKSJQSA-N 0 3 291.420 2.565 20 30 CFEDHN N#CCCCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175844984 380142336 /nfs/dbraw/zinc/14/23/36/380142336.db2.gz DISJJTQOPNOILT-STQMWFEESA-N 0 3 264.394 2.940 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)[C@H](C)CN1C ZINC000335938635 380131884 /nfs/dbraw/zinc/13/18/84/380131884.db2.gz CGFKSIBWBCURAB-ZIAGYGMSSA-N 0 3 276.811 2.716 20 30 CFEDHN Cc1ccc([C@H]2CSCCN2C(=O)C(C)C#N)cc1 ZINC000336054630 380258568 /nfs/dbraw/zinc/25/85/68/380258568.db2.gz PLKLFGAEZKBQEQ-TZMCWYRMSA-N 0 3 274.389 2.771 20 30 CFEDHN CC(C#N)C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000335998312 380215822 /nfs/dbraw/zinc/21/58/22/380215822.db2.gz QGNDTVVUUVSEEP-LBPRGKRZSA-N 0 3 272.323 2.991 20 30 CFEDHN Cc1cc(F)ccc1C1CCN(C(=O)C(C)C#N)CC1 ZINC000336362645 380330565 /nfs/dbraw/zinc/33/05/65/380330565.db2.gz URNQBMHKZZRJHC-GFCCVEGCSA-N 0 3 274.339 3.000 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000177351334 380331881 /nfs/dbraw/zinc/33/18/81/380331881.db2.gz JRSKVZGXHCOCTI-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN CC[C@H](C)CN(CC)CC(=O)Nc1sccc1C#N ZINC000177853454 380385715 /nfs/dbraw/zinc/38/57/15/380385715.db2.gz BIJYRBKCPLAKCX-NSHDSACASA-N 0 3 279.409 2.926 20 30 CFEDHN C=C(C)COCCNCc1cccc(OC(F)F)c1 ZINC000177902311 380392083 /nfs/dbraw/zinc/39/20/83/380392083.db2.gz PWAMQEQQEVKQOE-UHFFFAOYSA-N 0 3 271.307 2.970 20 30 CFEDHN N#CCCCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000336394996 380338099 /nfs/dbraw/zinc/33/80/99/380338099.db2.gz UHKMHXDQRWTZHU-MRXNPFEDSA-N 0 3 256.349 2.760 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CO)CC1 ZINC000336594256 380519557 /nfs/dbraw/zinc/51/95/57/380519557.db2.gz HTDGHADUJSUZDL-KGLIPLIRSA-N 0 3 258.365 2.714 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000179098030 380508209 /nfs/dbraw/zinc/50/82/09/380508209.db2.gz AVWHAWPROAZIBB-CABCVRRESA-N 0 3 262.328 2.745 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c1F ZINC000336615408 380552701 /nfs/dbraw/zinc/55/27/01/380552701.db2.gz GTYMPXYJPROCCA-HIFRSBDPSA-N 0 3 274.339 2.556 20 30 CFEDHN C=C(CC)CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000336709705 380601021 /nfs/dbraw/zinc/60/10/21/380601021.db2.gz ORGDTUMHYBMBOA-LLVKDONJSA-N 0 3 251.292 2.732 20 30 CFEDHN CC[C@@H]1CCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000279167426 194313642 /nfs/dbraw/zinc/31/36/42/194313642.db2.gz BPVSALQQNCGUKU-PWSUYJOCSA-N 0 3 277.393 2.727 20 30 CFEDHN C#CCSCCN[C@H](C)c1cc(OC)ccc1OC ZINC000181098515 380737999 /nfs/dbraw/zinc/73/79/99/380737999.db2.gz XERUOFZEQLTFKJ-GFCCVEGCSA-N 0 3 279.405 2.721 20 30 CFEDHN C#CCSCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000181093878 380738448 /nfs/dbraw/zinc/73/84/48/380738448.db2.gz ZQIQZQJHQOXSLZ-ZDUSSCGKSA-N 0 3 291.416 2.865 20 30 CFEDHN C#CCSCCN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000181095969 380738628 /nfs/dbraw/zinc/73/86/28/380738628.db2.gz UGSYJIMWHUZHPA-GFCCVEGCSA-N 0 3 276.405 2.662 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000181117357 380742753 /nfs/dbraw/zinc/74/27/53/380742753.db2.gz GSAFWQOTGGUZNT-AWEZNQCLSA-N 0 3 269.433 2.713 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000529715378 383750138 /nfs/dbraw/zinc/75/01/38/383750138.db2.gz FOPRMZNWTYXCRH-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181335046 380778371 /nfs/dbraw/zinc/77/83/71/380778371.db2.gz FCJWEMRUZHNUPH-LBPRGKRZSA-N 0 3 260.337 2.870 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC000181428059 380791428 /nfs/dbraw/zinc/79/14/28/380791428.db2.gz UVAKUTLFJRCOIS-CVEARBPZSA-N 0 3 258.365 2.541 20 30 CFEDHN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccccc1 ZINC000181531448 380817373 /nfs/dbraw/zinc/81/73/73/380817373.db2.gz UPUQHZOHCYNSEA-GLJUWKHASA-N 0 3 299.418 2.577 20 30 CFEDHN C[C@@H](NCCOc1ccccc1C#N)c1cccc(O)c1 ZINC000181578124 380832677 /nfs/dbraw/zinc/83/26/77/380832677.db2.gz IJDBDAFGOCRVRP-CYBMUJFWSA-N 0 3 282.343 2.993 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(CN[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000408465366 380928326 /nfs/dbraw/zinc/92/83/26/380928326.db2.gz IUZNSJTUEONVSP-HUUCEWRRSA-N 0 3 291.439 2.553 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccccc1OC(F)F ZINC000341272164 380889617 /nfs/dbraw/zinc/88/96/17/380889617.db2.gz NLWWYQWMNNXYAW-NSHDSACASA-N 0 3 271.307 2.562 20 30 CFEDHN C=C(CC)CN1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000358510236 380892742 /nfs/dbraw/zinc/89/27/42/380892742.db2.gz PBQVHKOVMHLELR-CABCVRRESA-N 0 3 252.402 2.674 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000404166314 380901868 /nfs/dbraw/zinc/90/18/68/380901868.db2.gz STRKGNTVRHEKMG-IUODEOHRSA-N 0 3 276.355 2.823 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000404153463 380903495 /nfs/dbraw/zinc/90/34/95/380903495.db2.gz UFDDKBSAQZCDTF-KBPBESRZSA-N 0 3 262.328 2.600 20 30 CFEDHN C[C@@H](NC[C@@H]1CCCCO1)c1ccc(C#N)cc1F ZINC000358556632 380922330 /nfs/dbraw/zinc/92/23/30/380922330.db2.gz MWRUOSSGBPLPFZ-YPMHNXCESA-N 0 3 262.328 2.917 20 30 CFEDHN CCC[C@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358591394 380953648 /nfs/dbraw/zinc/95/36/48/380953648.db2.gz OYBXKOOTBHRDQV-PWSUYJOCSA-N 0 3 250.317 2.509 20 30 CFEDHN C=CCN1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358567051 380934839 /nfs/dbraw/zinc/93/48/39/380934839.db2.gz IYYDBBOAIWHIIM-CYBMUJFWSA-N 0 3 287.382 2.998 20 30 CFEDHN C[C@H](N[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358567036 380935386 /nfs/dbraw/zinc/93/53/86/380935386.db2.gz IWYSLGGSIBZIFY-WCQYABFASA-N 0 3 273.355 2.585 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)cc1F ZINC000358569167 380938014 /nfs/dbraw/zinc/93/80/14/380938014.db2.gz LUINBYHUHUGMOS-AMKSKSKJSA-N 0 3 274.339 2.915 20 30 CFEDHN C=CCN(Cc1ccccc1F)C(=O)CN(C)CCC ZINC000358569161 380938106 /nfs/dbraw/zinc/93/81/06/380938106.db2.gz UQURCLWDQLCZAP-UHFFFAOYSA-N 0 3 278.371 2.682 20 30 CFEDHN C[C@@H](NC1CCC(CO)CC1)c1ccc(C#N)cc1F ZINC000358577721 380942967 /nfs/dbraw/zinc/94/29/67/380942967.db2.gz UWPBLPIXHKWTOH-LKSINWNRSA-N 0 3 276.355 2.899 20 30 CFEDHN COCCCN(CCOC)CCC1(C#N)CCCCC1 ZINC000411187286 381014598 /nfs/dbraw/zinc/01/45/98/381014598.db2.gz PUYITWMLCKMTMI-UHFFFAOYSA-N 0 3 282.428 2.835 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)c1cscc1C#N ZINC000347232095 381018602 /nfs/dbraw/zinc/01/86/02/381018602.db2.gz LFOGKDRNVPUZFM-GFCCVEGCSA-N 0 3 291.420 2.614 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N(CC=C)CC1CCCCC1 ZINC000411252020 381018584 /nfs/dbraw/zinc/01/85/84/381018584.db2.gz ASGGPZGPRXUTBS-CQSZACIVSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCN1CC[C@H](N(C)c2ccnc3ccc(C)cc32)C1=O ZINC000358691583 381018623 /nfs/dbraw/zinc/01/86/23/381018623.db2.gz XSMGZIGLXBNXCL-KRWDZBQOSA-N 0 3 295.386 2.766 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000411332128 381023863 /nfs/dbraw/zinc/02/38/63/381023863.db2.gz MYTIWPKDVXJTFQ-CVEARBPZSA-N 0 3 299.418 2.821 20 30 CFEDHN N#CC1(CCN2CC[C@H](N3CCCC3=O)C2)CCCCC1 ZINC000411420612 381025145 /nfs/dbraw/zinc/02/51/45/381025145.db2.gz JUVSCGCYTZSVPD-HNNXBMFYSA-N 0 3 289.423 2.547 20 30 CFEDHN C[C@H](C#N)CN(C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411418046 381027317 /nfs/dbraw/zinc/02/73/17/381027317.db2.gz JKCNQLXUQCFLTN-OAHLLOKOSA-N 0 3 299.418 2.904 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(CC(=O)N(C)C)CC1 ZINC000182222163 381027330 /nfs/dbraw/zinc/02/73/30/381027330.db2.gz YKMKSZYZFOFXSI-AWEZNQCLSA-N 0 3 299.418 2.810 20 30 CFEDHN C=CCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000279295690 194372073 /nfs/dbraw/zinc/37/20/73/194372073.db2.gz YLMAYNCVDDGQNN-UHFFFAOYSA-N 0 3 286.419 2.981 20 30 CFEDHN CCCCN(CCCO)Cc1ccc(F)c(C#N)c1 ZINC000182135029 380998269 /nfs/dbraw/zinc/99/82/69/380998269.db2.gz WBGIOGNKGHBPAV-UHFFFAOYSA-N 0 3 264.344 2.682 20 30 CFEDHN CCN(CC)CCSc1snc(C)c1C#N ZINC000288048826 380998858 /nfs/dbraw/zinc/99/88/58/380998858.db2.gz AHUXBCPFUSSKFQ-UHFFFAOYSA-N 0 3 255.412 2.757 20 30 CFEDHN CC(C)OC(=O)C[C@H]1CCCN([C@H](C)CCC#N)C1 ZINC000411554483 381031019 /nfs/dbraw/zinc/03/10/19/381031019.db2.gz QRVCYRPDXRNWBG-ZIAGYGMSSA-N 0 3 266.385 2.732 20 30 CFEDHN Cc1ccc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000182321576 381061532 /nfs/dbraw/zinc/06/15/32/381061532.db2.gz BQXXWCJEZFKOQJ-RHSMWYFYSA-N 0 3 287.407 2.700 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000411954227 381071177 /nfs/dbraw/zinc/07/11/77/381071177.db2.gz SVKBFLIERRHFTK-MEDUHNTESA-N 0 3 276.355 2.991 20 30 CFEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NCCC#N ZINC000411552561 381032955 /nfs/dbraw/zinc/03/29/55/381032955.db2.gz PFVRNNBWIJSWDE-KRWDZBQOSA-N 0 3 285.435 2.963 20 30 CFEDHN N#Cc1cccc(CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC000341483383 381040522 /nfs/dbraw/zinc/04/05/22/381040522.db2.gz KHFFGOKLXRSLJL-UHFFFAOYSA-N 0 3 281.315 2.799 20 30 CFEDHN CO[C@](C)([C@H](C)NCc1cccc(C#N)c1F)C1CC1 ZINC000411962824 381073256 /nfs/dbraw/zinc/07/32/56/381073256.db2.gz BQFXWHZXSHEHJN-MEDUHNTESA-N 0 3 276.355 2.991 20 30 CFEDHN COC1([C@@H](C)NCc2ccc(C#N)c(F)c2)CCC1 ZINC000412020185 381092323 /nfs/dbraw/zinc/09/23/23/381092323.db2.gz HUFOBTZHXRCFEM-LLVKDONJSA-N 0 3 262.328 2.745 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(OCCCC)c(OCC)c1 ZINC000289676706 381099396 /nfs/dbraw/zinc/09/93/96/381099396.db2.gz CEPBSRRBTYXJEK-HNNXBMFYSA-N 0 3 293.407 2.901 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H](C)C1(OC)CCC1 ZINC000412027486 381102473 /nfs/dbraw/zinc/10/24/73/381102473.db2.gz VLNISKDIEUVFID-LBPRGKRZSA-N 0 3 274.364 2.614 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CSC[C@@H]1C ZINC000295834028 381105049 /nfs/dbraw/zinc/10/50/49/381105049.db2.gz VMHOCADSJUSGJZ-GXTWGEPZSA-N 0 3 261.390 2.540 20 30 CFEDHN C#CCOc1ccccc1CN[C@H]1CSC[C@@H]1C ZINC000295834030 381105519 /nfs/dbraw/zinc/10/55/19/381105519.db2.gz VMHOCADSJUSGJZ-JSGCOSHPSA-N 0 3 261.390 2.540 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC000411975547 381079372 /nfs/dbraw/zinc/07/93/72/381079372.db2.gz VIDLJJWXMISHRH-SJCJKPOMSA-N 0 3 288.391 2.860 20 30 CFEDHN C=CCOc1cccc(CNCCc2nnc(C)s2)c1 ZINC000289760937 381140897 /nfs/dbraw/zinc/14/08/97/381140897.db2.gz ICTCSJMTTCPWKH-UHFFFAOYSA-N 0 3 289.404 2.744 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCc2c1cccc2Br ZINC000289787340 381156317 /nfs/dbraw/zinc/15/63/17/381156317.db2.gz NATYYDVYONFIKU-NOZJJQNGSA-N 0 3 282.181 2.573 20 30 CFEDHN COC[C@@H](NCCCCC#N)c1ccc(F)c(F)c1 ZINC000182812616 381164260 /nfs/dbraw/zinc/16/42/60/381164260.db2.gz GKQFWMIHPSZWIG-CQSZACIVSA-N 0 3 268.307 2.936 20 30 CFEDHN C[C@@H]1CCSCCN1CCOc1ccc(C#N)cc1 ZINC000279356154 194397800 /nfs/dbraw/zinc/39/78/00/194397800.db2.gz VXZOFYUQLWTIIL-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN CCOC1CC(N(C)Cc2ccc(C#N)c(F)c2)C1 ZINC000347410284 381131998 /nfs/dbraw/zinc/13/19/98/381131998.db2.gz AEALXZGEORWSQV-UHFFFAOYSA-N 0 3 262.328 2.697 20 30 CFEDHN CCC[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000341628332 381136398 /nfs/dbraw/zinc/13/63/98/381136398.db2.gz ZTHRCCBPTWSEAU-OAHLLOKOSA-N 0 3 299.418 2.687 20 30 CFEDHN C=CCOc1ccc(CN[C@H](C)[C@H](C)OC)cc1OC ZINC000289835358 381179531 /nfs/dbraw/zinc/17/95/31/381179531.db2.gz OOTWLQTXDIFYLS-OLZOCXBDSA-N 0 3 279.380 2.773 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000295955191 381179901 /nfs/dbraw/zinc/17/99/01/381179901.db2.gz JNYRBDOGJFOZQE-OIISXLGYSA-N 0 3 298.386 2.614 20 30 CFEDHN C=CCC(C)(C)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000354290371 381186952 /nfs/dbraw/zinc/18/69/52/381186952.db2.gz UVZXQQANRADJKS-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN Cc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1C#N ZINC000369111741 381195831 /nfs/dbraw/zinc/19/58/31/381195831.db2.gz IRVCHKPXHPXOPJ-INIZCTEOSA-N 0 3 297.402 2.613 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000296100872 381254893 /nfs/dbraw/zinc/25/48/93/381254893.db2.gz RUIQJHKGBGIJKX-ZJUUUORDSA-N 0 3 290.190 2.897 20 30 CFEDHN C=C[C@@H](CO)NCc1ccc(SC(F)F)cc1 ZINC000290013657 381261813 /nfs/dbraw/zinc/26/18/13/381261813.db2.gz ZAAWSXKKXHRYTO-JTQLQIEISA-N 0 3 259.321 2.638 20 30 CFEDHN COc1cc([C@H](C)NCCOc2cccc(C#N)c2)ccn1 ZINC000347637101 381267863 /nfs/dbraw/zinc/26/78/63/381267863.db2.gz HYNIOJFCKULYHM-ZDUSSCGKSA-N 0 3 297.358 2.691 20 30 CFEDHN N#Cc1cccc(CN2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000369469975 381268480 /nfs/dbraw/zinc/26/84/80/381268480.db2.gz MDFBDZYFGWDWCM-JKSUJKDBSA-N 0 3 256.349 2.702 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000289924804 381221200 /nfs/dbraw/zinc/22/12/00/381221200.db2.gz VCWQSDWQHIFCMM-WPRPVWTQSA-N 0 3 288.160 2.786 20 30 CFEDHN C[C@H](N[C@H](CO)CC1CCC1)c1ccc(C#N)cc1F ZINC000359033463 381226595 /nfs/dbraw/zinc/22/65/95/381226595.db2.gz GFZAYIWNBJCAIH-FZMZJTMJSA-N 0 3 276.355 2.899 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000342257933 381233088 /nfs/dbraw/zinc/23/30/88/381233088.db2.gz YJKWGFCBJZKSAD-UONOGXRCSA-N 0 3 276.355 2.586 20 30 CFEDHN C=C[C@@H](CO)N[C@H]1CCc2ccc(Br)cc21 ZINC000289971633 381241503 /nfs/dbraw/zinc/24/15/03/381241503.db2.gz XMOIJRYHLPFFPR-AAEUAGOBSA-N 0 3 282.181 2.573 20 30 CFEDHN C#CCCOc1ccc(CNC[C@H](CC)OC)cc1 ZINC000289983117 381246007 /nfs/dbraw/zinc/24/60/07/381246007.db2.gz ZVFOGLUQTHWARC-HNNXBMFYSA-N 0 3 261.365 2.603 20 30 CFEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(CO)c1 ZINC000183292168 381249903 /nfs/dbraw/zinc/24/99/03/381249903.db2.gz LAPNROPIABBQBV-CQSZACIVSA-N 0 3 296.370 2.932 20 30 CFEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1cccc(CO)c1 ZINC000183292149 381250661 /nfs/dbraw/zinc/25/06/61/381250661.db2.gz LAPNROPIABBQBV-AWEZNQCLSA-N 0 3 296.370 2.932 20 30 CFEDHN CCC1(CC)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000296188903 381292797 /nfs/dbraw/zinc/29/27/97/381292797.db2.gz OFPXIIIQMUQIPI-OAHLLOKOSA-N 0 3 258.365 2.714 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)c2ccncn2)c(C)c1 ZINC000354455936 381281622 /nfs/dbraw/zinc/28/16/22/381281622.db2.gz BRZMEWXWCKHJQR-CYBMUJFWSA-N 0 3 251.289 2.584 20 30 CFEDHN CCOc1cc(C(=O)C(C#N)c2ccncn2)ccc1C ZINC000354458360 381285022 /nfs/dbraw/zinc/28/50/22/381285022.db2.gz DEBJFGOVDURYKG-ZDUSSCGKSA-N 0 3 281.315 2.674 20 30 CFEDHN C=CC[C@H](CC)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000369753588 381325107 /nfs/dbraw/zinc/32/51/07/381325107.db2.gz FYFXISYMUQDMJR-GXTWGEPZSA-N 0 3 297.395 2.989 20 30 CFEDHN CC[C@H](CC#N)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000183838813 381327861 /nfs/dbraw/zinc/32/78/61/381327861.db2.gz QDSLAQPRXXMUJM-GFCCVEGCSA-N 0 3 299.374 2.916 20 30 CFEDHN CC[C@@H]1CCCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000369826182 381338059 /nfs/dbraw/zinc/33/80/59/381338059.db2.gz QYZCKXZRDJVNQP-CQSZACIVSA-N 0 3 282.347 2.983 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccncc1)C(C)(C)C ZINC000290207661 381342712 /nfs/dbraw/zinc/34/27/12/381342712.db2.gz QDLVXNAZMMZUOV-OAHLLOKOSA-N 0 3 282.391 2.620 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc(C(C)C)cn2)CC1 ZINC000290220356 381346466 /nfs/dbraw/zinc/34/64/66/381346466.db2.gz JUIPARGLYQGRSC-UHFFFAOYSA-N 0 3 287.407 2.585 20 30 CFEDHN C#C[C@H](NCc1cncc(Br)c1)C(C)(C)C ZINC000290265583 381363240 /nfs/dbraw/zinc/36/32/40/381363240.db2.gz XCVNFHZOJJDNGV-LBPRGKRZSA-N 0 3 281.197 2.982 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000342542218 381385661 /nfs/dbraw/zinc/38/56/61/381385661.db2.gz SBBLNDDDSQCWAM-CZUORRHYSA-N 0 3 285.391 2.610 20 30 CFEDHN C[C@@H]1COCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000370183096 381399446 /nfs/dbraw/zinc/39/94/46/381399446.db2.gz KBSUBWCBLYGYQC-HNNXBMFYSA-N 0 3 288.391 2.837 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000342627070 381442480 /nfs/dbraw/zinc/44/24/80/381442480.db2.gz CEOQLLCXDWGPFA-CYBMUJFWSA-N 0 3 277.364 2.855 20 30 CFEDHN Cn1ccnc1[C@H](NCC(C)(C)CCC#N)C1CC1 ZINC000348248800 381476488 /nfs/dbraw/zinc/47/64/88/381476488.db2.gz XPVQZSRFNFWNPO-CYBMUJFWSA-N 0 3 260.385 2.791 20 30 CFEDHN C=CCOCCCN1CCN(Cc2ccccc2)C[C@@H]1C ZINC000348048554 381456772 /nfs/dbraw/zinc/45/67/72/381456772.db2.gz MZDWTWRWRWCOME-KRWDZBQOSA-N 0 3 288.435 2.785 20 30 CFEDHN C=CCOCCCN[C@@H](CCC)c1nnc2ccccn21 ZINC000348055162 381458535 /nfs/dbraw/zinc/45/85/35/381458535.db2.gz NFFCDBJHMCPIEB-AWEZNQCLSA-N 0 3 288.395 2.753 20 30 CFEDHN CC(C)[C@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348062232 381460589 /nfs/dbraw/zinc/46/05/89/381460589.db2.gz CIFCHEBKZGJTJW-BBRMVZONSA-N 0 3 283.375 2.743 20 30 CFEDHN Cc1c([C@@H](C)NCc2ccc(CC#N)cc2)cnn1C ZINC000348197971 381469102 /nfs/dbraw/zinc/46/91/02/381469102.db2.gz IHKYYBYDQNXAOF-GFCCVEGCSA-N 0 3 268.364 2.645 20 30 CFEDHN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(CC#N)cc1 ZINC000342670377 381469219 /nfs/dbraw/zinc/46/92/19/381469219.db2.gz RLVMDSYLBYAKKS-QGZVFWFLSA-N 0 3 299.418 2.585 20 30 CFEDHN CC[C@@H](C)N(C)CCNc1cc(C(C)=O)ccc1C#N ZINC000290629797 381503764 /nfs/dbraw/zinc/50/37/64/381503764.db2.gz MKCLGRXHOYTSPT-GFCCVEGCSA-N 0 3 273.380 2.903 20 30 CFEDHN C=C(Cl)CN1CCC2(C[C@H]2c2nnc(C)o2)CC1 ZINC000370811948 381509952 /nfs/dbraw/zinc/50/99/52/381509952.db2.gz TXYMJGMLXPJVHE-NSHDSACASA-N 0 3 267.760 2.700 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000185035704 381519284 /nfs/dbraw/zinc/51/92/84/381519284.db2.gz ZUIBDTPARSACKF-KRWDZBQOSA-N 0 3 298.430 2.989 20 30 CFEDHN C[C@@H](O)CCCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000354871650 381498066 /nfs/dbraw/zinc/49/80/66/381498066.db2.gz NUGSRUOKGBKAPW-CYBMUJFWSA-N 0 3 258.365 2.684 20 30 CFEDHN C=CCCN(C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000342721449 381499337 /nfs/dbraw/zinc/49/93/37/381499337.db2.gz MAJMQVOZCBJKIK-OAHLLOKOSA-N 0 3 276.355 2.829 20 30 CFEDHN CC#CCCCC(=O)NCCCN(C)Cc1ccccc1 ZINC000184953902 381500683 /nfs/dbraw/zinc/50/06/83/381500683.db2.gz TYBRAQPAMKFXQV-UHFFFAOYSA-N 0 3 286.419 2.818 20 30 CFEDHN C[C@@H]1CN(Cc2cc(F)ccc2C#N)CCN(C2CC2)C1 ZINC000296782864 381540416 /nfs/dbraw/zinc/54/04/16/381540416.db2.gz SEHMSDWZACLLQW-CYBMUJFWSA-N 0 3 287.382 2.613 20 30 CFEDHN C=CCCC1(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000354984615 381550621 /nfs/dbraw/zinc/55/06/21/381550621.db2.gz WIBQYKCKGBRWNO-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)c1cccs1 ZINC000348358091 381530187 /nfs/dbraw/zinc/53/01/87/381530187.db2.gz JFCLJUVIGYBAEO-LBPRGKRZSA-N 0 3 293.436 2.581 20 30 CFEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000296761457 381531434 /nfs/dbraw/zinc/53/14/34/381531434.db2.gz PFVFIZXXXXSLEN-SJLPKXTDSA-N 0 3 294.354 2.574 20 30 CFEDHN CCNC(=O)C[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000342843461 381581067 /nfs/dbraw/zinc/58/10/67/381581067.db2.gz RQGCXMMPOWQPLV-ZDUSSCGKSA-N 0 3 291.420 2.500 20 30 CFEDHN C[C@@H]1C[C@@H](NC2(c3cccc(C#N)c3)CC2)CN1C1CC1 ZINC000342808976 381557442 /nfs/dbraw/zinc/55/74/42/381557442.db2.gz SPUYMRAILHDREX-CZUORRHYSA-N 0 3 281.403 2.762 20 30 CFEDHN C=CCC[C@H](O)CN1CC(Cc2cccc(F)c2)C1 ZINC000371349655 381597731 /nfs/dbraw/zinc/59/77/31/381597731.db2.gz LBJJTAZUGIZLET-INIZCTEOSA-N 0 3 263.356 2.627 20 30 CFEDHN CC(C)[C@@H](CCO)NCc1ccc(C#N)cc1OC(F)F ZINC000355060882 381589312 /nfs/dbraw/zinc/58/93/12/381589312.db2.gz QPNCXEYEIIUSHU-CYBMUJFWSA-N 0 3 298.333 2.656 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCCN(C(C)C)C2)CCC1 ZINC000359802042 381616204 /nfs/dbraw/zinc/61/62/04/381616204.db2.gz OBYJNIKDIMSENR-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H](C)C2)CC1 ZINC000185384009 381619087 /nfs/dbraw/zinc/61/90/87/381619087.db2.gz BNZYRKLNZMKVEY-HNNXBMFYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCOCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000371588744 381662019 /nfs/dbraw/zinc/66/20/19/381662019.db2.gz PLGFKIRHFPPFCD-AWEZNQCLSA-N 0 3 265.328 2.832 20 30 CFEDHN C[C@@H](C#N)CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000185573738 381669383 /nfs/dbraw/zinc/66/93/83/381669383.db2.gz RHSLOHUFKNUEJI-NWDGAFQWSA-N 0 3 261.325 2.665 20 30 CFEDHN C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000359982613 381710771 /nfs/dbraw/zinc/71/07/71/381710771.db2.gz XQJQSWFHTNAZMX-CABCVRRESA-N 0 3 299.418 2.652 20 30 CFEDHN C[C@H](NCc1ccc(C#N)o1)[C@@H](c1ccccc1)N(C)C ZINC000185679056 381704000 /nfs/dbraw/zinc/70/40/00/381704000.db2.gz NRLRAFQFQGAMHD-GUYCJALGSA-N 0 3 283.375 2.932 20 30 CFEDHN CNC(=O)CC[C@@H]1CCCCN1Cc1cc(C#N)cs1 ZINC000348831527 381728019 /nfs/dbraw/zinc/72/80/19/381728019.db2.gz GGIIFZXLJUNUML-ZDUSSCGKSA-N 0 3 291.420 2.500 20 30 CFEDHN C[C@H](C(=O)NCCN1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000360015406 381729385 /nfs/dbraw/zinc/72/93/85/381729385.db2.gz JTLXWINBJWCMFY-GJZGRUSLSA-N 0 3 299.418 2.510 20 30 CFEDHN C[C@@H](C(=O)NCCN1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000360015409 381730270 /nfs/dbraw/zinc/73/02/70/381730270.db2.gz JTLXWINBJWCMFY-LSDHHAIUSA-N 0 3 299.418 2.510 20 30 CFEDHN C#CCCOc1ccc(CN[C@H](CO)C/C=C/C)cc1 ZINC000185815597 381744426 /nfs/dbraw/zinc/74/44/26/381744426.db2.gz MOYKZKIXXUYPAB-WMHVBEDNSA-N 0 3 273.376 2.505 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000343496427 381752454 /nfs/dbraw/zinc/75/24/54/381752454.db2.gz FTTWGVVOHWRIEC-WMLDXEAASA-N 0 3 297.402 2.776 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000372109941 381753505 /nfs/dbraw/zinc/75/35/05/381753505.db2.gz XKYMNFFMJHZNKS-HNNXBMFYSA-N 0 3 288.391 2.815 20 30 CFEDHN CCC[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000348812767 381720705 /nfs/dbraw/zinc/72/07/05/381720705.db2.gz VZTKWNUVIXSVSR-KRWDZBQOSA-N 0 3 299.418 2.829 20 30 CFEDHN Cc1c(Cl)cnc(N(C)C[C@@H]2CCCN(C)C2)c1C#N ZINC000343535897 381781206 /nfs/dbraw/zinc/78/12/06/381781206.db2.gz SSBFYQFCLLUNEG-GFCCVEGCSA-N 0 3 292.814 2.693 20 30 CFEDHN C=CCN(CCC#CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000360470671 381781796 /nfs/dbraw/zinc/78/17/96/381781796.db2.gz WAJVCYKFIRERRM-OAHLLOKOSA-N 0 3 295.390 2.625 20 30 CFEDHN C=CCOCCCN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000343540801 381784649 /nfs/dbraw/zinc/78/46/49/381784649.db2.gz GNTLLBNVYLPIQN-JKSUJKDBSA-N 0 3 279.355 2.526 20 30 CFEDHN CN(Cc1cccc(OCCCC#N)c1)CC1(O)CCC1 ZINC000355366237 381764481 /nfs/dbraw/zinc/76/44/81/381764481.db2.gz NEOYBKNGXOCLLJ-UHFFFAOYSA-N 0 3 288.391 2.716 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000343517327 381767701 /nfs/dbraw/zinc/76/77/01/381767701.db2.gz XBXQSKFWORXJPE-LBPRGKRZSA-N 0 3 292.814 2.623 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000185881876 381768074 /nfs/dbraw/zinc/76/80/74/381768074.db2.gz QFOXJAAMAVLNDZ-OLZOCXBDSA-N 0 3 259.309 2.767 20 30 CFEDHN Cc1nccnc1[C@H](C)NCCc1cccc(C#N)c1 ZINC000343523322 381771778 /nfs/dbraw/zinc/77/17/78/381771778.db2.gz GERMDHYJTZCXNG-LBPRGKRZSA-N 0 3 266.348 2.550 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000360256547 381773998 /nfs/dbraw/zinc/77/39/98/381773998.db2.gz LWJWAOJDKQBEEV-SNPRPXQTSA-N 0 3 286.375 2.851 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(CC1CC1)CC1CCC1 ZINC000361564799 381844520 /nfs/dbraw/zinc/84/45/20/381844520.db2.gz KQSPQHTUESAHAE-CQSZACIVSA-N 0 3 291.439 2.507 20 30 CFEDHN C=CCCC[C@H](C)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000361510928 381838406 /nfs/dbraw/zinc/83/84/06/381838406.db2.gz MUQNHYZVZUBBQA-ZNMIVQPWSA-N 0 3 253.386 2.611 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C(C)(C)C)C1 ZINC000361550508 381843083 /nfs/dbraw/zinc/84/30/83/381843083.db2.gz RPOPYGKAEDEFST-KBPBESRZSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C#N)C(=O)NC1(Cc2cccc(F)c2)CCC1 ZINC000361125386 381803175 /nfs/dbraw/zinc/80/31/75/381803175.db2.gz IIZROVCVFVZDDA-LLVKDONJSA-N 0 3 260.312 2.567 20 30 CFEDHN N#Cc1ccc(N2CCCN(Cc3cc[nH]c3)CC2)cc1 ZINC000372391923 381803840 /nfs/dbraw/zinc/80/38/40/381803840.db2.gz PVGXVNLRVBQFNF-UHFFFAOYSA-N 0 3 280.375 2.599 20 30 CFEDHN C=CCOc1ccc(CN(CC)[C@@H]2CCOC2)cc1OC ZINC000361239107 381814103 /nfs/dbraw/zinc/81/41/03/381814103.db2.gz SPIWTTDYDMGCER-OAHLLOKOSA-N 0 3 291.391 2.871 20 30 CFEDHN C#CCCN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000372841637 381879120 /nfs/dbraw/zinc/87/91/20/381879120.db2.gz XZEGXHUQLXFQTA-CQSZACIVSA-N 0 3 288.391 2.603 20 30 CFEDHN C=C(C)CN(C)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416189418 381881428 /nfs/dbraw/zinc/88/14/28/381881428.db2.gz KRUKPFYCLGYUJS-OAHLLOKOSA-N 0 3 260.381 2.714 20 30 CFEDHN C=CCCCNC(=O)C[C@H](c1ccccc1)N(C)C ZINC000416225507 381883221 /nfs/dbraw/zinc/88/32/21/381883221.db2.gz SOUHCSQDDQYLRG-OAHLLOKOSA-N 0 3 260.381 2.762 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000343617963 381846498 /nfs/dbraw/zinc/84/64/98/381846498.db2.gz BFILCQDZDVQZEB-XJKSGUPXSA-N 0 3 297.402 2.824 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000343630024 381853193 /nfs/dbraw/zinc/85/31/93/381853193.db2.gz ZSXXQOVCSMGXSD-IJEWVQPXSA-N 0 3 266.429 2.968 20 30 CFEDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(CC#N)cc1 ZINC000343644711 381866299 /nfs/dbraw/zinc/86/62/99/381866299.db2.gz DAPHILIHEOGXBG-ZDUSSCGKSA-N 0 3 274.364 2.526 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415977869 381872811 /nfs/dbraw/zinc/87/28/11/381872811.db2.gz UGQXNTJPEZIQJA-LBPRGKRZSA-N 0 3 291.370 2.948 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2)s1 ZINC000343659839 381873177 /nfs/dbraw/zinc/87/31/77/381873177.db2.gz BWAQSGNVZYWZNW-AWEZNQCLSA-N 0 3 286.400 2.561 20 30 CFEDHN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CO ZINC000362072476 381896000 /nfs/dbraw/zinc/89/60/00/381896000.db2.gz NQWLFLRTDKXJEY-GXTWGEPZSA-N 0 3 297.320 2.617 20 30 CFEDHN N#Cc1ccc(N2CCC(NCc3ccco3)CC2)cc1 ZINC000299361866 381910816 /nfs/dbraw/zinc/91/08/16/381910816.db2.gz NRIWUACYGQRFEO-UHFFFAOYSA-N 0 3 281.359 2.910 20 30 CFEDHN C=CCOCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292941406 381913622 /nfs/dbraw/zinc/91/36/22/381913622.db2.gz AGCCZAGXEUJCBZ-UHFFFAOYSA-N 0 3 264.325 2.622 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1ccccc1Cl ZINC000292896882 381891018 /nfs/dbraw/zinc/89/10/18/381891018.db2.gz VPIMMEJBFIBJEP-LLVKDONJSA-N 0 3 252.745 2.921 20 30 CFEDHN N#Cc1cccc(CN(CCCO)Cc2ccccc2)c1 ZINC000299448045 381946264 /nfs/dbraw/zinc/94/62/64/381946264.db2.gz YRXQOOHUULSFKW-UHFFFAOYSA-N 0 3 280.371 2.943 20 30 CFEDHN CC(C)[C@@H](NCC#Cc1ccccc1)C1(CO)CCC1 ZINC000293061070 381972619 /nfs/dbraw/zinc/97/26/19/381972619.db2.gz NPSSNXQXVUHVTQ-QGZVFWFLSA-N 0 3 271.404 2.815 20 30 CFEDHN N#CC(C(=O)c1cccnc1)c1cc(C(F)(F)F)ccn1 ZINC000362184313 381948716 /nfs/dbraw/zinc/94/87/16/381948716.db2.gz IUOJBXXPXZDHNF-LLVKDONJSA-N 0 3 291.232 2.985 20 30 CFEDHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000373223791 381953409 /nfs/dbraw/zinc/95/34/09/381953409.db2.gz LFCAKSITZIATTI-XOUADPBQSA-N 0 3 289.379 2.621 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000373401643 381996413 /nfs/dbraw/zinc/99/64/13/381996413.db2.gz ADCSZXVGQXTWDW-TZMCWYRMSA-N 0 3 250.386 2.816 20 30 CFEDHN CC#CCN(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000293169224 382016125 /nfs/dbraw/zinc/01/61/25/382016125.db2.gz PBDLYDMBYBHLPW-AWEZNQCLSA-N 0 3 285.309 2.564 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC2(CC1)OCCCO2 ZINC000293152662 382009890 /nfs/dbraw/zinc/00/98/90/382009890.db2.gz UYMHTLQIEZKTIJ-CQSZACIVSA-N 0 3 286.375 2.848 20 30 CFEDHN Cc1ccsc1CNCc1cnc2ccc(C#N)cn12 ZINC000343849434 381980582 /nfs/dbraw/zinc/98/05/82/381980582.db2.gz IUADQLPIXMQJBN-UHFFFAOYSA-N 0 3 282.372 2.866 20 30 CFEDHN CC(C)[C@@H]1CN(CCOc2ccc(C#N)cc2)CCCO1 ZINC000293260917 382051140 /nfs/dbraw/zinc/05/11/40/382051140.db2.gz UKAREXZMBBGAAH-KRWDZBQOSA-N 0 3 288.391 2.684 20 30 CFEDHN C=CCCCN(C)Cc1ccccc1C(=O)N(C)C ZINC000417788133 382069842 /nfs/dbraw/zinc/06/98/42/382069842.db2.gz IBRYDYNLUISWDW-UHFFFAOYSA-N 0 3 260.381 2.786 20 30 CFEDHN CC#CCN[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374816737 382058168 /nfs/dbraw/zinc/05/81/68/382058168.db2.gz TYRLIAPKDVKBKS-HOCLYGCPSA-N 0 3 296.336 2.852 20 30 CFEDHN C=CCOCCN1CCSC[C@@H]1c1ccccc1 ZINC000293288572 382064595 /nfs/dbraw/zinc/06/45/95/382064595.db2.gz YVPPLKINQQNJCE-OAHLLOKOSA-N 0 3 263.406 2.979 20 30 CFEDHN C=C(C)CCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000351849921 382064895 /nfs/dbraw/zinc/06/48/95/382064895.db2.gz FQUNCCFUPRERPC-UHFFFAOYSA-N 0 3 273.355 2.786 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000351837355 382065180 /nfs/dbraw/zinc/06/51/80/382065180.db2.gz MIPORASFBPHDNP-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1CCCC2(CC2)C1 ZINC000186981190 382066404 /nfs/dbraw/zinc/06/64/04/382066404.db2.gz CAALNJVARIFJKT-UHFFFAOYSA-N 0 3 289.404 2.824 20 30 CFEDHN C=CCOCCN1CC[C@H](c2ccccc2OC)C1 ZINC000293215333 382033028 /nfs/dbraw/zinc/03/30/28/382033028.db2.gz VFCFCGRYRGNFCW-AWEZNQCLSA-N 0 3 261.365 2.687 20 30 CFEDHN CN(CCOCc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000344064352 382102629 /nfs/dbraw/zinc/10/26/29/382102629.db2.gz FIXJDLAHAOSSGP-QGZVFWFLSA-N 0 3 288.391 2.576 20 30 CFEDHN COCCN1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000301206112 382106034 /nfs/dbraw/zinc/10/60/34/382106034.db2.gz RRCUJPVUKXKANW-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN CO[C@@]1(C)CCCN(CC#Cc2ccccc2)CC1 ZINC000376012220 382115382 /nfs/dbraw/zinc/11/53/82/382115382.db2.gz CLRLIMVRRQKGPL-KRWDZBQOSA-N 0 3 257.377 2.929 20 30 CFEDHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@H](C2CC2)O1 ZINC000376019249 382117248 /nfs/dbraw/zinc/11/72/48/382117248.db2.gz OEDAYVKSCPDBRM-GXTWGEPZSA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376081558 382118627 /nfs/dbraw/zinc/11/86/27/382118627.db2.gz LZWNCMMOUPTEQH-OUAUKWLOSA-N 0 3 298.839 2.785 20 30 CFEDHN C#CCCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000376176994 382122928 /nfs/dbraw/zinc/12/29/28/382122928.db2.gz DOOONYQTRMGXPC-OAHLLOKOSA-N 0 3 280.375 2.674 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNc1cccnc1C#N ZINC000357238204 382072722 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/nfs/dbraw/zinc/17/64/31/382176431.db2.gz WJEJTLRTVVOCKE-UHFFFAOYSA-N 0 3 264.394 2.513 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000418208264 382130279 /nfs/dbraw/zinc/13/02/79/382130279.db2.gz CXFUUOWOIYFOCY-UHFFFAOYSA-N 0 3 287.407 2.691 20 30 CFEDHN C[C@H]1CC[C@@H](CN(C)CCOCc2ccc(C#N)cc2)O1 ZINC000344132826 382148801 /nfs/dbraw/zinc/14/88/01/382148801.db2.gz XGYAMMDTZYNKRP-YOEHRIQHSA-N 0 3 288.391 2.574 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNCc1ccc(C#N)s1 ZINC000344224619 382211449 /nfs/dbraw/zinc/21/14/49/382211449.db2.gz QUXTZJPRZHDZBD-BETUJISGSA-N 0 3 277.437 2.972 20 30 CFEDHN C=CCN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000357529732 382212143 /nfs/dbraw/zinc/21/21/43/382212143.db2.gz LDFWRXFXFPOUBQ-UHFFFAOYSA-N 0 3 262.309 2.624 20 30 CFEDHN Cc1cccc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000345107954 382283603 /nfs/dbraw/zinc/28/36/03/382283603.db2.gz DWHGGSBOJGTSLO-CABCVRRESA-N 0 3 299.418 2.905 20 30 CFEDHN C=CCCC[C@@H](C)N1CCO[C@]2(CCCOC2)C1 ZINC000352359501 382288962 /nfs/dbraw/zinc/28/89/62/382288962.db2.gz AZCJDUKTXSGTSK-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2cc(C#N)ccc2F)C1(C)C ZINC000344271729 382242234 /nfs/dbraw/zinc/24/22/34/382242234.db2.gz AHWWOUSDCNLWBP-COLVAYQJSA-N 0 3 276.355 2.846 20 30 CFEDHN Cn1ccnc1[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000377260672 382244980 /nfs/dbraw/zinc/24/49/80/382244980.db2.gz FGAJQTHJMNNZPK-MRXNPFEDSA-N 0 3 280.375 2.671 20 30 CFEDHN C=CC(C)(C)CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419222728 382250034 /nfs/dbraw/zinc/25/00/34/382250034.db2.gz CAHQZJHHCQGSRG-ZDUSSCGKSA-N 0 3 280.799 2.538 20 30 CFEDHN COCCCOCCN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000187718877 382256833 /nfs/dbraw/zinc/25/68/33/382256833.db2.gz KBNVKFURVCUGCU-AWEZNQCLSA-N 0 3 276.380 2.604 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1occc1-c1ccccc1 ZINC000293853770 382307577 /nfs/dbraw/zinc/30/75/77/382307577.db2.gz AQCZLURTRPWEES-UHFFFAOYSA-N 0 3 296.370 2.632 20 30 CFEDHN N#Cc1cc(C(F)(F)F)ccc1N1CCN2CCC1CC2 ZINC000302762110 382311741 /nfs/dbraw/zinc/31/17/41/382311741.db2.gz KMSVDWWFANLDHM-UHFFFAOYSA-N 0 3 295.308 2.861 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCOc1cccc(Cl)c1 ZINC000345790010 382312899 /nfs/dbraw/zinc/31/28/99/382312899.db2.gz SSHKQVGBKHDVOY-NSHDSACASA-N 0 3 280.755 2.727 20 30 CFEDHN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)[C@H]1C ZINC000419391671 382313687 /nfs/dbraw/zinc/31/36/87/382313687.db2.gz JYRLCUPDDXRQFK-ILXRZTDVSA-N 0 3 291.439 2.648 20 30 CFEDHN CC(C)Oc1cccc([C@H](C)NC(=O)C(C)C#N)c1 ZINC000345816966 382314526 /nfs/dbraw/zinc/31/45/26/382314526.db2.gz OKDSLRXZFODUCB-NEPJUHHUSA-N 0 3 260.337 2.811 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)CC1(C)COC1 ZINC000345874606 382320130 /nfs/dbraw/zinc/32/01/30/382320130.db2.gz ZROMYXXRRNFURB-UHFFFAOYSA-N 0 3 261.365 2.720 20 30 CFEDHN CN(CCNc1c(C#N)cccc1C#N)Cc1ccccc1 ZINC000302841965 382332863 /nfs/dbraw/zinc/33/28/63/382332863.db2.gz MHNUIOWPXSZYIE-UHFFFAOYSA-N 0 3 290.370 2.974 20 30 CFEDHN C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CCN1 ZINC000420244112 382336900 /nfs/dbraw/zinc/33/69/00/382336900.db2.gz XORLWYQVYXAOPX-JTQLQIEISA-N 0 3 286.766 2.558 20 30 CFEDHN CCOC(=O)C(C)(C)C1CCN(CCCC#N)CC1 ZINC000352449392 382338086 /nfs/dbraw/zinc/33/80/86/382338086.db2.gz MOCLMVYLUQGWQI-UHFFFAOYSA-N 0 3 266.385 2.591 20 30 CFEDHN N#CC(C(=O)c1cncc(F)c1)c1nc2ccccc2[nH]1 ZINC000346228727 382338053 /nfs/dbraw/zinc/33/80/53/382338053.db2.gz VNEXLURKJGFJBI-NSHDSACASA-N 0 3 280.262 2.587 20 30 CFEDHN N#CC1(F)CCN(CCCOCc2ccccc2)CC1 ZINC000352449233 382338293 /nfs/dbraw/zinc/33/82/93/382338293.db2.gz LZSPXJAFFDYLJE-UHFFFAOYSA-N 0 3 276.355 2.921 20 30 CFEDHN CCCN(C(=O)C(C)C#N)[C@H]1CCc2ccccc2C1 ZINC000357827243 382338764 /nfs/dbraw/zinc/33/87/64/382338764.db2.gz ZPBYDJCXOWFLNC-CJNGLKHVSA-N 0 3 270.376 2.942 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000357832827 382342199 /nfs/dbraw/zinc/34/21/99/382342199.db2.gz QTVIKNGNNPQPFV-NSHDSACASA-N 0 3 299.305 2.789 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000188092971 382342663 /nfs/dbraw/zinc/34/26/63/382342663.db2.gz AVRQSRHNTJVBCI-HUUCEWRRSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC000345230249 382293007 /nfs/dbraw/zinc/29/30/07/382293007.db2.gz RMFNWDFRHZLUMS-UHFFFAOYSA-N 0 3 287.407 2.662 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1csc2ccccc21 ZINC000293967223 382359297 /nfs/dbraw/zinc/35/92/97/382359297.db2.gz LOCGHXNPZQUQBX-UHFFFAOYSA-N 0 3 286.400 2.586 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccccc1OCC1CC1 ZINC000680484203 542330262 /nfs/dbraw/zinc/33/02/62/542330262.db2.gz HENYHRRMQLRQFB-HNNXBMFYSA-N 0 3 261.365 2.502 20 30 CFEDHN CC(C)c1ccccc1NC(=O)C(C#N)c1ccncn1 ZINC000358046842 382427786 /nfs/dbraw/zinc/42/77/86/382427786.db2.gz JMXZILLJESZWGS-CYBMUJFWSA-N 0 3 280.331 2.846 20 30 CFEDHN CC[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C ZINC000378354695 382446381 /nfs/dbraw/zinc/44/63/81/382446381.db2.gz HTRHOBYKJRAURK-QGZVFWFLSA-N 0 3 297.402 2.514 20 30 CFEDHN N#Cc1cccc(CNC(=O)CN2CCCC23CCCC3)c1 ZINC000365508146 382403313 /nfs/dbraw/zinc/40/33/13/382403313.db2.gz AXATXYKKQMKNJF-UHFFFAOYSA-N 0 3 297.402 2.583 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1ccc(C#N)cc1F)OC ZINC000294099080 382413375 /nfs/dbraw/zinc/41/33/75/382413375.db2.gz BTBLFYNAEYOEQO-XHDPSFHLSA-N 0 3 264.344 2.848 20 30 CFEDHN C=CCOCCN[C@@H](COC)c1ccc(OCC)cc1 ZINC000294199390 382455331 /nfs/dbraw/zinc/45/53/31/382455331.db2.gz RJGMQCPTYCTJEP-INIZCTEOSA-N 0 3 279.380 2.565 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)[C@H]1C ZINC000346673467 382465066 /nfs/dbraw/zinc/46/50/66/382465066.db2.gz VACAKYDNISFZDK-SLEUVZQESA-N 0 3 272.348 2.503 20 30 CFEDHN CCOC[C@@H](NCc1cc(C#N)cs1)C(C)C ZINC000188870192 382495924 /nfs/dbraw/zinc/49/59/24/382495924.db2.gz DNEQMDPWUSEZJW-CYBMUJFWSA-N 0 3 252.383 2.770 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000352970110 382485828 /nfs/dbraw/zinc/48/58/28/382485828.db2.gz UFYZCRPODKZSBV-LSDHHAIUSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCOc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000352976629 382486479 /nfs/dbraw/zinc/48/64/79/382486479.db2.gz LJTJWNWVUQJHQD-KRWDZBQOSA-N 0 3 286.419 2.922 20 30 CFEDHN C=CCOc1ccccc1CNCCc1cc(C)no1 ZINC000353062468 382489861 /nfs/dbraw/zinc/48/98/61/382489861.db2.gz JKGHDDAHQAGMQB-UHFFFAOYSA-N 0 3 272.348 2.880 20 30 CFEDHN Cc1cccc(C[C@H](CO)NCc2cc(C#N)cs2)c1 ZINC000189008429 382524221 /nfs/dbraw/zinc/52/42/21/382524221.db2.gz ZFNGXTNVMSUDQS-OAHLLOKOSA-N 0 3 286.400 2.621 20 30 CFEDHN CC1=CCN(CCN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000358246863 382525804 /nfs/dbraw/zinc/52/58/04/382525804.db2.gz ZYXCHZLLYKWFER-HNNXBMFYSA-N 0 3 269.392 2.861 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420933612 382498375 /nfs/dbraw/zinc/49/83/75/382498375.db2.gz WIIXSXAWAVGMDU-KRWDZBQOSA-N 0 3 290.382 2.525 20 30 CFEDHN C=C(C)[C@H](NC[C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1 ZINC000420922220 382498885 /nfs/dbraw/zinc/49/88/85/382498885.db2.gz NJCOUQVPANPSEC-NVBFEUDRSA-N 0 3 267.319 2.943 20 30 CFEDHN C=C(C)[C@@H](NC[C@H](O)CSC)c1ccc(F)c(F)c1 ZINC000188891141 382499618 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ZINC000367041398 382556066 /nfs/dbraw/zinc/55/60/66/382556066.db2.gz VRJWLQBKAFEWQP-WMLDXEAASA-N 0 3 286.375 2.732 20 30 CFEDHN N#Cc1cc(F)ccc1CNC1(CCO)CCCCC1 ZINC000353656049 382596744 /nfs/dbraw/zinc/59/67/44/382596744.db2.gz ZKDJQGPSPOZOKN-UHFFFAOYSA-N 0 3 276.355 2.872 20 30 CFEDHN COc1cc(CN[C@@H](C)c2cccc(CO)c2)ccc1C#N ZINC000353658218 382598152 /nfs/dbraw/zinc/59/81/52/382598152.db2.gz KJWYNQACRNCUBW-ZDUSSCGKSA-N 0 3 296.370 2.910 20 30 CFEDHN CO[C@@H]([C@@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000388253794 382604212 /nfs/dbraw/zinc/60/42/12/382604212.db2.gz AOHLXHRIKCZFPY-RNCFNFMXSA-N 0 3 250.367 2.523 20 30 CFEDHN CC1(C)C[C@@H](O)CCN(Cc2ccc(C#N)s2)C1 ZINC000295284714 382607089 /nfs/dbraw/zinc/60/70/89/382607089.db2.gz TYFOKXDDTPLDKP-NSHDSACASA-N 0 3 264.394 2.603 20 30 CFEDHN Cc1nc(N[C@@H]2CCN(C)[C@H](C)C2)c(Cl)cc1C#N ZINC000388657505 382608245 /nfs/dbraw/zinc/60/82/45/382608245.db2.gz AUFFGKSFLKUHDO-BXKDBHETSA-N 0 3 278.787 2.810 20 30 CFEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)OCCO2 ZINC000189584419 382626983 /nfs/dbraw/zinc/62/69/83/382626983.db2.gz XNFWCYXGSVQXRD-GFCCVEGCSA-N 0 3 297.358 2.519 20 30 CFEDHN Cc1cc(CN(C)C[C@@H](O)Cc2ccccc2)ccc1C#N ZINC000353753085 382627075 /nfs/dbraw/zinc/62/70/75/382627075.db2.gz VHBRZQZPINLWCC-IBGZPJMESA-N 0 3 294.398 2.902 20 30 CFEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc2c(c1)OCCO2 ZINC000189584397 382627133 /nfs/dbraw/zinc/62/71/33/382627133.db2.gz XNFWCYXGSVQXRD-LBPRGKRZSA-N 0 3 297.358 2.519 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@@H](O)CC(C)(C)C1 ZINC000395344289 382630203 /nfs/dbraw/zinc/63/02/03/382630203.db2.gz CXARHLQROAMCTP-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN Cc1cccc([C@@H](C)NCC(=O)NC2(C#N)CCC2)c1C ZINC000346945099 382580440 /nfs/dbraw/zinc/58/04/40/382580440.db2.gz MVRJNMAOZOSUPH-CQSZACIVSA-N 0 3 285.391 2.517 20 30 CFEDHN CC(C)(C#N)CCN[C@@H](CO)c1ccc(Cl)cc1 ZINC000346948866 382581524 /nfs/dbraw/zinc/58/15/24/382581524.db2.gz AGLMGDBBWSHXQP-ZDUSSCGKSA-N 0 3 266.772 2.903 20 30 CFEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)COC ZINC000189826196 382642078 /nfs/dbraw/zinc/64/20/78/382642078.db2.gz YSDVMVDLPQDCCO-ZDUSSCGKSA-N 0 3 278.352 2.865 20 30 CFEDHN COCCO[C@H]1CCCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000189977384 382647921 /nfs/dbraw/zinc/64/79/21/382647921.db2.gz IEESVTAEXDTFRJ-PBHICJAKSA-N 0 3 288.391 2.747 20 30 CFEDHN COc1ccc(CN2CCSC[C@@H](C)C2)cc1C#N ZINC000190395269 382665724 /nfs/dbraw/zinc/66/57/24/382665724.db2.gz HLVYQIVOELDHMY-LBPRGKRZSA-N 0 3 276.405 2.752 20 30 CFEDHN C[C@@H]1CSCCN(CCOc2cccc(C#N)c2)C1 ZINC000190471316 382670224 /nfs/dbraw/zinc/67/02/24/382670224.db2.gz WXEXGNRGHBMTMC-ZDUSSCGKSA-N 0 3 276.405 2.622 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2c(C)ccn2C)n1 ZINC000190638647 382675976 /nfs/dbraw/zinc/67/59/76/382675976.db2.gz ZGYDUOUTRHXPIY-SNVBAGLBSA-N 0 3 259.334 2.589 20 30 CFEDHN Cc1ccc(CNCc2cc(C#N)n(C)c2)cc1F ZINC000190712247 382678723 /nfs/dbraw/zinc/67/87/23/382678723.db2.gz OQJLIBOKOPRWBY-UHFFFAOYSA-N 0 3 257.312 2.634 20 30 CFEDHN C[C@H]1CCCC[C@@H]1OCCNCc1cc(C#N)n(C)c1 ZINC000190804334 382681043 /nfs/dbraw/zinc/68/10/43/382681043.db2.gz SAXQOCWVZAQYEP-BBRMVZONSA-N 0 3 275.396 2.582 20 30 CFEDHN COc1cc(CNCc2cc(C#N)n(C)c2)ccc1C ZINC000190890096 382684008 /nfs/dbraw/zinc/68/40/08/382684008.db2.gz OIYQSORMOQDGGA-UHFFFAOYSA-N 0 3 269.348 2.504 20 30 CFEDHN Cn1cc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1C#N ZINC000191408503 382699964 /nfs/dbraw/zinc/69/99/64/382699964.db2.gz CLBOSXBSFJXLLK-QGZVFWFLSA-N 0 3 294.402 2.973 20 30 CFEDHN C#CCN(C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000192239335 382705616 /nfs/dbraw/zinc/70/56/16/382705616.db2.gz KBWXCXAFSKDARX-UHFFFAOYSA-N 0 3 253.349 2.554 20 30 CFEDHN C#CCCCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000192309812 382706824 /nfs/dbraw/zinc/70/68/24/382706824.db2.gz OJZPKIHTHGHGTH-UHFFFAOYSA-N 0 3 290.382 2.519 20 30 CFEDHN C#CCCCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000192345077 382707394 /nfs/dbraw/zinc/70/73/94/382707394.db2.gz NDKMDHRCFQCQHD-QGZVFWFLSA-N 0 3 298.430 2.913 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CCC=C(c3ccccn3)C2)C1 ZINC000574999491 382723167 /nfs/dbraw/zinc/72/31/67/382723167.db2.gz GUAUTBDDJDMBTD-UKRRQHHQSA-N 0 3 253.349 2.863 20 30 CFEDHN CC(C)C[C@H](C)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000337122016 382763244 /nfs/dbraw/zinc/76/32/44/382763244.db2.gz AYIBBRMAEBUTAL-HNNXBMFYSA-N 0 3 286.423 2.757 20 30 CFEDHN C=CCN1CC[C@@H](N(CC2CCCCC2)C2CC2)C1=O ZINC000337133556 382765357 /nfs/dbraw/zinc/76/53/57/382765357.db2.gz KYYSFWHIJNFNAX-MRXNPFEDSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2Cc2ccc(C)cc2)C1=O ZINC000337133476 382765460 /nfs/dbraw/zinc/76/54/60/382765460.db2.gz AXLXEEZFDLQWRO-ZWKOTPCHSA-N 0 3 298.430 2.789 20 30 CFEDHN C=CCN1CC[C@H](N(C)CCCCc2ccccc2)C1=O ZINC000337135814 382765973 /nfs/dbraw/zinc/76/59/73/382765973.db2.gz MRIQUFNWFNZJJV-KRWDZBQOSA-N 0 3 286.419 2.728 20 30 CFEDHN CC(C)C[C@@H](C)CN1CCN(c2ncccc2C#N)CC1 ZINC000337140718 382766765 /nfs/dbraw/zinc/76/67/65/382766765.db2.gz USFCVNZFFHNOAP-OAHLLOKOSA-N 0 3 286.423 2.757 20 30 CFEDHN C=CCN1CC[C@@H](N(C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000337152304 382768460 /nfs/dbraw/zinc/76/84/60/382768460.db2.gz KRMDVIPLUSSBMP-QZTJIDSGSA-N 0 3 296.414 2.925 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H](C(C)C)CC2)C1=O ZINC000337186339 382773110 /nfs/dbraw/zinc/77/31/10/382773110.db2.gz OXUPHIIXNHGSGG-LSDHHAIUSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCN1CC[C@@H](N2CC[C@](C)(c3ccc(C)cc3)C2)C1=O ZINC000337259701 382788348 /nfs/dbraw/zinc/78/83/48/382788348.db2.gz VOIXQGCQLCZTHH-MJGOQNOKSA-N 0 3 298.430 2.745 20 30 CFEDHN N#Cc1ccc(CN[C@H]2COc3ccccc3C2)c(F)c1 ZINC000336887264 382737495 /nfs/dbraw/zinc/73/74/95/382737495.db2.gz CRPDFNXYJFUQBY-OAHLLOKOSA-N 0 3 282.318 2.791 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]2C)CC1 ZINC000337005977 382751298 /nfs/dbraw/zinc/75/12/98/382751298.db2.gz AYKZQIUSEGFEFK-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CC1(C)C)C(C)C ZINC000337375499 382811569 /nfs/dbraw/zinc/81/15/69/382811569.db2.gz GLGUKEUBZZROLY-GJZGRUSLSA-N 0 3 278.440 2.847 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)CC)C(C)C ZINC000337434271 382820596 /nfs/dbraw/zinc/82/05/96/382820596.db2.gz HNKQMCLYLCKDEF-CABCVRRESA-N 0 3 281.444 2.783 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)C(C)C ZINC000337445011 382822065 /nfs/dbraw/zinc/82/20/65/382822065.db2.gz ZRGCBFQCEXLVKT-DOMZBBRYSA-N 0 3 278.371 2.803 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337495947 382831874 /nfs/dbraw/zinc/83/18/74/382831874.db2.gz YIKAQNAMQYFTJO-VXGBXAGGSA-N 0 3 299.411 2.920 20 30 CFEDHN COc1cc(CN[C@@H]2CCCSC2)ccc1C#N ZINC000234942521 382875707 /nfs/dbraw/zinc/87/57/07/382875707.db2.gz DSYZAXCGDGWKDN-CYBMUJFWSA-N 0 3 262.378 2.552 20 30 CFEDHN Cn1cc(CCNC[C@@H](C#N)CCC#N)c2ccc(F)cc21 ZINC000577998495 382881492 /nfs/dbraw/zinc/88/14/92/382881492.db2.gz MDMDZEMBMAIZSD-CYBMUJFWSA-N 0 3 298.365 2.893 20 30 CFEDHN CC(C)(C#N)CCCN1CCOC[C@@H]1C1CCC1 ZINC000578010577 382882656 /nfs/dbraw/zinc/88/26/56/382882656.db2.gz RQJTXQLJQKPASN-CQSZACIVSA-N 0 3 250.386 2.817 20 30 CFEDHN COc1ccc(C#N)cc1CNC1(CCO)CCCCC1 ZINC000440900415 382887795 /nfs/dbraw/zinc/88/77/95/382887795.db2.gz FAPIZZNASQGTFM-UHFFFAOYSA-N 0 3 288.391 2.742 20 30 CFEDHN N#Cc1sc(NCCN2CCCCCC2)nc1Cl ZINC000236076215 382891464 /nfs/dbraw/zinc/89/14/64/382891464.db2.gz LVICFPQJRNLZTA-UHFFFAOYSA-N 0 3 284.816 2.956 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441087113 382895293 /nfs/dbraw/zinc/89/52/93/382895293.db2.gz HEJWLKAWVQPBMB-HOCLYGCPSA-N 0 3 286.419 2.803 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000441156371 382898642 /nfs/dbraw/zinc/89/86/42/382898642.db2.gz LBEHGGKVCYHDSZ-MRXNPFEDSA-N 0 3 288.822 2.860 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000442635077 382939688 /nfs/dbraw/zinc/93/96/88/382939688.db2.gz OSKCPOGLHMXKAV-FRRDWIJNSA-N 0 3 263.410 2.633 20 30 CFEDHN CN(C)[C@H](CN[C@H]1CC[C@@H](C#N)C1)c1c(F)cccc1F ZINC000442761443 382951873 /nfs/dbraw/zinc/95/18/73/382951873.db2.gz CACAPDXVSQNOPB-TYNCELHUSA-N 0 3 293.361 2.849 20 30 CFEDHN C=C(C)COCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000495047361 382955593 /nfs/dbraw/zinc/95/55/93/382955593.db2.gz HNDCSYXFCOEPOG-AWEZNQCLSA-N 0 3 278.400 2.608 20 30 CFEDHN C=C(C)COCC[NH2+][C@H](c1nnc[n-]1)C1CCCCC1 ZINC000495047361 382955595 /nfs/dbraw/zinc/95/55/95/382955595.db2.gz HNDCSYXFCOEPOG-AWEZNQCLSA-N 0 3 278.400 2.608 20 30 CFEDHN C=C(C)COCCN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000495047361 382955598 /nfs/dbraw/zinc/95/55/98/382955598.db2.gz HNDCSYXFCOEPOG-AWEZNQCLSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc2ccccc2nc1OC ZINC000538127619 382958395 /nfs/dbraw/zinc/95/83/95/382958395.db2.gz POAKCVGCYNVRME-ZDUSSCGKSA-N 0 3 286.375 2.518 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2[C@H](C)CC[C@H]2CC)CC1 ZINC000537913717 382958404 /nfs/dbraw/zinc/95/84/04/382958404.db2.gz YRHYVHBECANGML-GDBMZVCRSA-N 0 3 293.455 2.999 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCCOc2ccc(C(F)(F)F)cn2)C1 ZINC000442818985 382959139 /nfs/dbraw/zinc/95/91/39/382959139.db2.gz AHXDRUOJYSQMPY-CMPLNLGQSA-N 0 3 299.296 2.761 20 30 CFEDHN CCCCn1cc(CN[C@@H]2CC[C@@H](C#N)C2)c(C)n1 ZINC000442829301 382960363 /nfs/dbraw/zinc/96/03/63/382960363.db2.gz ORYHCBLJJYJFRC-UKRRQHHQSA-N 0 3 260.385 2.774 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NCCOc2ccc(F)c(F)c2)C1 ZINC000442854686 382960979 /nfs/dbraw/zinc/96/09/79/382960979.db2.gz LGECMKFTXQVHHM-GHMZBOCLSA-N 0 3 266.291 2.625 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccnc(OC3CCC3)c2)C1 ZINC000442852044 382961156 /nfs/dbraw/zinc/96/11/56/382961156.db2.gz XMMHRAIKAJOPDX-GXTWGEPZSA-N 0 3 271.364 2.795 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@H](N)c1ccccc1 ZINC000578337649 382913241 /nfs/dbraw/zinc/91/32/41/382913241.db2.gz MWSGYGXYACZSCR-HNNXBMFYSA-N 0 3 275.396 2.732 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000533971455 382913844 /nfs/dbraw/zinc/91/38/44/382913844.db2.gz FEHBEFZPQXXHAK-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2cc(C#N)ncn2)C1 ZINC000578402092 382917126 /nfs/dbraw/zinc/91/71/26/382917126.db2.gz VTYXKMIPFAETIQ-UKRRQHHQSA-N 0 3 293.374 2.596 20 30 CFEDHN C=CC[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000495118761 382962608 /nfs/dbraw/zinc/96/26/08/382962608.db2.gz DEJDAXDTWRMLPC-WBVHZDCISA-N 0 3 284.403 2.699 20 30 CFEDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C#N)cn1 ZINC000578519210 382928556 /nfs/dbraw/zinc/92/85/56/382928556.db2.gz SDWLUSPPRLKWEX-GOSISDBHSA-N 0 3 295.386 2.643 20 30 CFEDHN N#CC(C(=O)c1cccnc1C1CC1)c1ccccn1 ZINC000544147291 382974947 /nfs/dbraw/zinc/97/49/47/382974947.db2.gz ISLNBLDPPGBUQD-CYBMUJFWSA-N 0 3 263.300 2.844 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)[C@@H](C)CN1C ZINC000444670339 382976710 /nfs/dbraw/zinc/97/67/10/382976710.db2.gz HVGHDVQCSXJJQI-KBPBESRZSA-N 0 3 251.418 2.731 20 30 CFEDHN CCN(CCCCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000444679792 382976873 /nfs/dbraw/zinc/97/68/73/382976873.db2.gz CIVWODDKFNIFDI-NSHDSACASA-N 0 3 280.334 2.952 20 30 CFEDHN C[C@]1(CO)CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000545396662 382977670 /nfs/dbraw/zinc/97/76/70/382977670.db2.gz FRBPGCGPERLNCQ-OAHLLOKOSA-N 0 3 297.320 2.904 20 30 CFEDHN C[C@]1(CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000545395905 382977815 /nfs/dbraw/zinc/97/78/15/382977815.db2.gz KJOVLQFXOBOKFS-OAHLLOKOSA-N 0 3 263.768 2.538 20 30 CFEDHN C=C(CC)CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444721418 382979635 /nfs/dbraw/zinc/97/96/35/382979635.db2.gz FFMLQZCVAIFVFY-QWRGUYRKSA-N 0 3 251.292 2.588 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCCC(C)(C)C1 ZINC000446066236 382987907 /nfs/dbraw/zinc/98/79/07/382987907.db2.gz JRHCXQQCMKOSGD-PBHICJAKSA-N 0 3 293.455 2.941 20 30 CFEDHN Cc1nn(C)c2ncc(CN3CCC(CCC#N)CC3)cc12 ZINC000579233054 382995389 /nfs/dbraw/zinc/99/53/89/382995389.db2.gz SWVGNVVKRWBLQQ-UHFFFAOYSA-N 0 3 297.406 2.793 20 30 CFEDHN C[C@@H](CO)N(Cc1ccccc1C#N)CC1CCC1 ZINC000280315132 194794733 /nfs/dbraw/zinc/79/47/33/194794733.db2.gz GRDLBMBXQBSMGM-ZDUSSCGKSA-N 0 3 258.365 2.541 20 30 CFEDHN CN(C)C(=O)OC[C@H]1CCCCN1CCCC(C)(C)C#N ZINC000495687308 383013352 /nfs/dbraw/zinc/01/33/52/383013352.db2.gz KCWXBPHIODJVLG-CQSZACIVSA-N 0 3 295.427 2.869 20 30 CFEDHN Cc1cc(CN2CC[C@@H](Cc3cnn(C)c3)C2)ccc1C#N ZINC000579425125 383013371 /nfs/dbraw/zinc/01/33/71/383013371.db2.gz RIEUUVOENMBWNA-INIZCTEOSA-N 0 3 294.402 2.665 20 30 CFEDHN C#CCCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245622176 383015980 /nfs/dbraw/zinc/01/59/80/383015980.db2.gz WZAQHMWAMGKMBE-FUHWJXTLSA-N 0 3 284.403 2.742 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000541953551 382967788 /nfs/dbraw/zinc/96/77/88/382967788.db2.gz MXACXXUXQDKXSW-DOTOQJQBSA-N 0 3 278.440 2.923 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)Cc2ccc(C#N)s2)C1 ZINC000579608558 383036279 /nfs/dbraw/zinc/03/62/79/383036279.db2.gz WJRYPNHPKOFYLZ-RISCZKNCSA-N 0 3 264.394 2.603 20 30 CFEDHN CC(C)(C)OC(=O)NC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000496253587 383079665 /nfs/dbraw/zinc/07/96/65/383079665.db2.gz KAKFUJDHSNXMBY-GXTWGEPZSA-N 0 3 293.411 2.668 20 30 CFEDHN Cc1nc(CCNCc2ccc(C#N)s2)c(C)o1 ZINC000551956640 383059195 /nfs/dbraw/zinc/05/91/95/383059195.db2.gz DVMKSCDTTCQHCS-UHFFFAOYSA-N 0 3 261.350 2.557 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000580753237 383079922 /nfs/dbraw/zinc/07/99/22/383079922.db2.gz VYGDYCOSBSMCGV-DJIMGWMZSA-N 0 3 297.402 2.632 20 30 CFEDHN CC(C)(C#N)CCCN1CCS[C@H]2COCC[C@H]21 ZINC000246918846 383121776 /nfs/dbraw/zinc/12/17/76/383121776.db2.gz MWDDDBQGQAJZRD-OLZOCXBDSA-N 0 3 268.426 2.523 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496625841 383122890 /nfs/dbraw/zinc/12/28/90/383122890.db2.gz UUCDLJCTYNLZEJ-HNNXBMFYSA-N 0 3 268.401 2.799 20 30 CFEDHN CCOC(=O)N[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000496697265 383123950 /nfs/dbraw/zinc/12/39/50/383123950.db2.gz JOOZLZJCKAKUEZ-CQSZACIVSA-N 0 3 295.427 2.917 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496872355 383126675 /nfs/dbraw/zinc/12/66/75/383126675.db2.gz DMJCVODLZMGEEA-AVGNSLFASA-N 0 3 281.400 2.666 20 30 CFEDHN C=C(Cl)CN[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC000496905948 383127416 /nfs/dbraw/zinc/12/74/16/383127416.db2.gz CSNQNBQIIUNOEQ-RYUDHWBXSA-N 0 3 274.792 2.586 20 30 CFEDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCC1(C#N)CC1 ZINC000497085740 383129548 /nfs/dbraw/zinc/12/95/48/383129548.db2.gz VYKBZDOVCJSOMQ-QWHCGFSZSA-N 0 3 293.411 2.525 20 30 CFEDHN C=CCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000497095881 383129914 /nfs/dbraw/zinc/12/99/14/383129914.db2.gz CNQXBUJJBSAKKE-MRXNPFEDSA-N 0 3 288.391 2.811 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)N(CC)C1CC1)C(C)C ZINC000503408575 383140569 /nfs/dbraw/zinc/14/05/69/383140569.db2.gz SZEAMIJUXPSZHB-MRXNPFEDSA-N 0 3 293.455 2.879 20 30 CFEDHN N#CC1(CNC2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000580955216 383082533 /nfs/dbraw/zinc/08/25/33/383082533.db2.gz RICBRKIQMIKPPQ-UHFFFAOYSA-N 0 3 295.386 2.712 20 30 CFEDHN C[C@@]1(CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000581541166 383083961 /nfs/dbraw/zinc/08/39/61/383083961.db2.gz FCLALJJHSZWVCC-HNNXBMFYSA-N 0 3 263.768 2.538 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000582392008 383087114 /nfs/dbraw/zinc/08/71/14/383087114.db2.gz HPMCUGQVIBOICQ-JQWIXIFHSA-N 0 3 288.351 2.550 20 30 CFEDHN N#CCCC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000583497488 383089698 /nfs/dbraw/zinc/08/96/98/383089698.db2.gz QYVAAOHKWLDTDN-UHFFFAOYSA-N 0 3 283.375 2.953 20 30 CFEDHN CC[C@@H]1C[C@@]1(NC(=O)C(C)C#N)c1cccc(C)c1 ZINC000506184928 383144251 /nfs/dbraw/zinc/14/42/51/383144251.db2.gz VIZKWYIFYIKYDI-IOASZLSFSA-N 0 3 256.349 2.896 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(C#N)C[C@H]1C ZINC000448883455 383104389 /nfs/dbraw/zinc/10/43/89/383104389.db2.gz NXBUSOCDCAMPJN-RDTXWAMCSA-N 0 3 299.418 2.646 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000247493660 383177981 /nfs/dbraw/zinc/17/79/81/383177981.db2.gz MEJQMVCMJNXIPV-HUUCEWRRSA-N 0 3 293.455 2.714 20 30 CFEDHN C=CCCCCN1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000566050334 383182537 /nfs/dbraw/zinc/18/25/37/383182537.db2.gz ZLHGDGFRXJPXID-QPSCCSFWSA-N 0 3 281.396 2.526 20 30 CFEDHN CC[C@H](C)N[C@H](CNC[C@@H](C#N)CCC#N)c1ccco1 ZINC000566120082 383184216 /nfs/dbraw/zinc/18/42/16/383184216.db2.gz GGNZLUAESSBCON-RRFJBIMHSA-N 0 3 288.395 2.742 20 30 CFEDHN C=CCCCCCNC(=O)NC[C@@H]1CCCN1CC ZINC000566432679 383187372 /nfs/dbraw/zinc/18/73/72/383187372.db2.gz HUHMREIKLVCWNI-AWEZNQCLSA-N 0 3 267.417 2.516 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](C)c1cn2ccccc2n1 ZINC000556253327 383150965 /nfs/dbraw/zinc/15/09/65/383150965.db2.gz PZOPQQAIORYRGE-KEYYUXOJSA-N 0 3 285.391 2.966 20 30 CFEDHN C[C@@H](C1CCCCC1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000514930159 383156736 /nfs/dbraw/zinc/15/67/36/383156736.db2.gz VQMVQVLCGGEBQZ-GUYCJALGSA-N 0 3 291.439 2.695 20 30 CFEDHN CC(C)(C)n1ncnc1CNC1CCC(C)(C#N)CC1 ZINC000449308031 383211480 /nfs/dbraw/zinc/21/14/80/383211480.db2.gz UDNFKFREXGAALT-UHFFFAOYSA-N 0 3 275.400 2.595 20 30 CFEDHN C=CCCCCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000562693878 383161838 /nfs/dbraw/zinc/16/18/38/383161838.db2.gz LRYYLGRAJUSLTO-CQSZACIVSA-N 0 3 273.442 2.632 20 30 CFEDHN CC(C)C[C@H]1CCCN([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247321291 383162538 /nfs/dbraw/zinc/16/25/38/383162538.db2.gz GBXSBXUPYVTSHE-HUUCEWRRSA-N 0 3 279.428 2.505 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2c[nH]nc2-c2ccsc2)C1 ZINC000516046423 383162557 /nfs/dbraw/zinc/16/25/57/383162557.db2.gz DVGNQTCAEATADZ-MFKMUULPSA-N 0 3 272.377 2.920 20 30 CFEDHN C=CCCCCN[C@]1(CO)CCOc2ccccc21 ZINC000516394885 383164359 /nfs/dbraw/zinc/16/43/59/383164359.db2.gz IDKUDWXWXULAEW-INIZCTEOSA-N 0 3 261.365 2.603 20 30 CFEDHN CC1(C)CN(Cc2ccc(C#N)cn2)[C@@H]2CCC[C@H]21 ZINC000567245959 383255777 /nfs/dbraw/zinc/25/57/77/383255777.db2.gz BQWANAMTHZTZNR-HUUCEWRRSA-N 0 3 255.365 2.964 20 30 CFEDHN C=CCC[C@H](O)CN1CCC[C@H]1c1ccc(COC)o1 ZINC000248635568 383275810 /nfs/dbraw/zinc/27/58/10/383275810.db2.gz VBEKYFLENCQLRB-ZFWWWQNUSA-N 0 3 279.380 2.890 20 30 CFEDHN N#Cc1ccccc1CNC1(CCO)CCCCC1 ZINC000339499057 383217177 /nfs/dbraw/zinc/21/71/77/383217177.db2.gz BKHFYEJLOHMNGC-UHFFFAOYSA-N 0 3 258.365 2.733 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2ccccc2)C[C@@H]1CC ZINC000248400663 383235418 /nfs/dbraw/zinc/23/54/18/383235418.db2.gz XWLICMCYNAALDA-WMZOPIPTSA-N 0 3 288.435 2.914 20 30 CFEDHN COc1ccc(CN(C)C)cc1N[C@H]1CC[C@H](C#N)C1 ZINC000519804376 383236632 /nfs/dbraw/zinc/23/66/32/383236632.db2.gz CQCWKKLZZDXKRP-JSGCOSHPSA-N 0 3 273.380 2.861 20 30 CFEDHN Cc1cc(CNC[C@@H](O)Cc2cccc(F)c2)ccc1C#N ZINC000449361156 383238999 /nfs/dbraw/zinc/23/89/99/383238999.db2.gz KONSIOONESQJTD-SFHVURJKSA-N 0 3 298.361 2.699 20 30 CFEDHN N#Cc1ccc2ncc(CNC[C@H]3CCCC3(F)F)n2c1 ZINC000449491586 383328569 /nfs/dbraw/zinc/32/85/69/383328569.db2.gz HPINHAIRKCEEOA-GFCCVEGCSA-N 0 3 290.317 2.731 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc2c(c1C#N)CCC2 ZINC000425238737 383346386 /nfs/dbraw/zinc/34/63/86/383346386.db2.gz VJAPNOXBLNUPBV-CABCVRRESA-N 0 3 296.418 2.505 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000248821356 383294125 /nfs/dbraw/zinc/29/41/25/383294125.db2.gz LJUXTLAZWQRTNE-BYCMXARLSA-N 0 3 262.328 2.531 20 30 CFEDHN CC(C)[C@H](NCc1ccc(F)cc1C#N)C1(CO)CCC1 ZINC000339729052 383299584 /nfs/dbraw/zinc/29/95/84/383299584.db2.gz WNQQIRSMRAPMOT-INIZCTEOSA-N 0 3 290.382 2.974 20 30 CFEDHN Cc1ccc([C@H](O)CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000248886963 383302814 /nfs/dbraw/zinc/30/28/14/383302814.db2.gz SFUBPZVUBMYWHR-FVQBIDKESA-N 0 3 258.365 2.700 20 30 CFEDHN CC[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248898419 383305374 /nfs/dbraw/zinc/30/53/74/383305374.db2.gz OMZRXACZJARWLP-YOEHRIQHSA-N 0 3 297.402 2.786 20 30 CFEDHN CC#CCN(C)CCCc1nc(-c2cccs2)no1 ZINC000339755264 383306117 /nfs/dbraw/zinc/30/61/17/383306117.db2.gz FHXJCNSLUSYGDS-UHFFFAOYSA-N 0 3 275.377 2.686 20 30 CFEDHN C=C(C)CN(CC)C[C@H]1CN(c2ccccc2)CCO1 ZINC000567747842 383310122 /nfs/dbraw/zinc/31/01/22/383310122.db2.gz BITQONFGQFIKKB-KRWDZBQOSA-N 0 3 274.408 2.790 20 30 CFEDHN N#CCSCCCN1CCOC[C@H]1CC1CCC1 ZINC000339778112 383315825 /nfs/dbraw/zinc/31/58/25/383315825.db2.gz OUOPFFUTUVGWHA-CQSZACIVSA-N 0 3 268.426 2.524 20 30 CFEDHN C=CC[C@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000425065363 383316444 /nfs/dbraw/zinc/31/64/44/383316444.db2.gz LDMDVUUNDPAXLW-OKZBNKHCSA-N 0 3 298.430 2.899 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000449478504 383320542 /nfs/dbraw/zinc/32/05/42/383320542.db2.gz YKMKRLRHPHZJNS-ZNMIVQPWSA-N 0 3 276.405 2.745 20 30 CFEDHN C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)[C@@H](C)CN1C ZINC000525958519 383412066 /nfs/dbraw/zinc/41/20/66/383412066.db2.gz YSKQCFPRSUOPSP-STQMWFEESA-N 0 3 280.375 2.635 20 30 CFEDHN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000449630781 383357689 /nfs/dbraw/zinc/35/76/89/383357689.db2.gz JBNYTBZUEWFKGO-HZPDHXFCSA-N 0 3 270.376 2.948 20 30 CFEDHN CC[C@H](C)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000449625419 383357733 /nfs/dbraw/zinc/35/77/33/383357733.db2.gz RTKIYWXPCFUFRY-AWEZNQCLSA-N 0 3 251.418 2.732 20 30 CFEDHN C=CC[C@H](CO)Nc1ccnc2ccc(CC)cc21 ZINC000450444835 383413249 /nfs/dbraw/zinc/41/32/49/383413249.db2.gz ZUVSUKYRNUOVKF-CYBMUJFWSA-N 0 3 256.349 2.568 20 30 CFEDHN C[C@@H]1C[C@H](N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000568125977 383360886 /nfs/dbraw/zinc/36/08/86/383360886.db2.gz YPCLQYOSFDPWMB-KFZJALRRSA-N 0 3 297.402 2.688 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000568152077 383362072 /nfs/dbraw/zinc/36/20/72/383362072.db2.gz VVIHZECSKHBIJY-GFCCVEGCSA-N 0 3 274.364 2.709 20 30 CFEDHN C=CCC1(C(=O)NCCN(C)CCCC)CCCC1 ZINC000449855090 383368851 /nfs/dbraw/zinc/36/88/51/383368851.db2.gz IHLUFZOTDGRBCB-UHFFFAOYSA-N 0 3 266.429 2.971 20 30 CFEDHN CC(C)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471044897 383376648 /nfs/dbraw/zinc/37/66/48/383376648.db2.gz VOFWVCXEXOJFEC-IRXDYDNUSA-N 0 3 295.386 2.745 20 30 CFEDHN CC(C)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471044895 383376657 /nfs/dbraw/zinc/37/66/57/383376657.db2.gz VOFWVCXEXOJFEC-DLBZAZTESA-N 0 3 295.386 2.745 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000471881022 383379824 /nfs/dbraw/zinc/37/98/24/383379824.db2.gz RMSUGNFVSICLEC-RZLSGREXSA-N 0 3 297.402 2.635 20 30 CFEDHN C=CCC[C@@H](O)CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532257 383384252 /nfs/dbraw/zinc/38/42/52/383384252.db2.gz IVYIZOLRDOZWTG-XJKSGUPXSA-N 0 3 258.365 2.878 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CC23CCCC3)cc1 ZINC000526930246 383437961 /nfs/dbraw/zinc/43/79/61/383437961.db2.gz DWPLZFSVOCEIOI-CVEARBPZSA-N 0 3 293.370 2.689 20 30 CFEDHN C=CCCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000568833094 383440070 /nfs/dbraw/zinc/44/00/70/383440070.db2.gz WQGLHVFTFGQMFD-OAHLLOKOSA-N 0 3 280.799 2.986 20 30 CFEDHN CC(C)(C)[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000483259024 383444016 /nfs/dbraw/zinc/44/40/16/383444016.db2.gz ZGLZQBADFWGREO-WMLDXEAASA-N 0 3 291.439 2.553 20 30 CFEDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC#Cc1ccccc1 ZINC000484071566 383454559 /nfs/dbraw/zinc/45/45/59/383454559.db2.gz NRHREECVBRYJPD-SJLPKXTDSA-N 0 3 285.387 2.750 20 30 CFEDHN N#Cc1c(F)cccc1CNC1(CCO)CCCCC1 ZINC000428393490 383466138 /nfs/dbraw/zinc/46/61/38/383466138.db2.gz YEPHGMQSPIWZBV-UHFFFAOYSA-N 0 3 276.355 2.872 20 30 CFEDHN CC[C@]1(O)CCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000428424645 383469070 /nfs/dbraw/zinc/46/90/70/383469070.db2.gz BDQAXEBLXRBYIM-KRWDZBQOSA-N 0 3 288.391 2.716 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCN2C2CCCCC2)n1 ZINC000527751267 383470915 /nfs/dbraw/zinc/47/09/15/383470915.db2.gz FWOOILGPFXPVPB-CQSZACIVSA-N 0 3 290.436 2.511 20 30 CFEDHN C[C@H](NCC(C)(C)C(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000528015402 383472456 /nfs/dbraw/zinc/47/24/56/383472456.db2.gz LQDZXESKMXYBFS-AWEZNQCLSA-N 0 3 299.418 2.857 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[C@H](C)C1 ZINC000429565749 383546545 /nfs/dbraw/zinc/54/65/45/383546545.db2.gz SYXSKHWPAWVYLL-KBPBESRZSA-N 0 3 252.402 2.531 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1C ZINC000488000428 383486395 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383510773 /nfs/dbraw/zinc/51/07/73/383510773.db2.gz HZLGKOFMRMFPLL-JHJVBQTASA-N 0 3 250.386 2.719 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1sccc1C#N ZINC000341063569 383550930 /nfs/dbraw/zinc/55/09/30/383550930.db2.gz RDGQHDTTZAMMMT-TXEJJXNPSA-N 0 3 291.420 2.612 20 30 CFEDHN C=C(C)CN(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000488299868 383515033 /nfs/dbraw/zinc/51/50/33/383515033.db2.gz RIYYCKQFSUNIAY-UHFFFAOYSA-N 0 3 275.348 2.539 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1Cc2cccc(O)c2C1 ZINC000429322896 383518672 /nfs/dbraw/zinc/51/86/72/383518672.db2.gz PVGGFZQRVNTFNC-HNNXBMFYSA-N 0 3 294.354 2.529 20 30 CFEDHN Oc1cccc2c1C[C@@H](NCC#Cc1ccc(F)cc1)C2 ZINC000429333245 383520376 /nfs/dbraw/zinc/52/03/76/383520376.db2.gz UPWZOAAHYCNDHR-INIZCTEOSA-N 0 3 281.330 2.640 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCCNC(=O)C1CCC1 ZINC000429553076 383543697 /nfs/dbraw/zinc/54/36/97/383543697.db2.gz CHWLSZXYGWYXMS-CQSZACIVSA-N 0 3 299.418 2.857 20 30 CFEDHN C=C(CC)CN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 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CFEDHN C=CCCN1CCC(Oc2ncccc2F)CC1 ZINC000278075702 384470289 /nfs/dbraw/zinc/47/02/89/384470289.db2.gz GVOVFTNBMOGWFQ-UHFFFAOYSA-N 0 3 250.317 2.640 20 30 CFEDHN C=CCN(CC=C)CCCNC(=O)OC(C)(C)C ZINC000278197553 384497096 /nfs/dbraw/zinc/49/70/96/384497096.db2.gz IOTLGSCGLIDUTH-UHFFFAOYSA-N 0 3 254.374 2.575 20 30 CFEDHN C#C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000289396320 197327371 /nfs/dbraw/zinc/32/73/71/197327371.db2.gz OCPDCNBQFBHQFP-KGXGESDWSA-N 0 3 258.321 2.855 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](c1cccs1)C(C)(C)CO ZINC000289358172 197309886 /nfs/dbraw/zinc/30/98/86/197309886.db2.gz NWXSVSXXLBCSCC-GXTWGEPZSA-N 0 3 283.437 2.724 20 30 CFEDHN C=C(C)[C@@H](NC1CCN(C=O)CC1)c1ccc(F)c(F)c1 ZINC000278358564 384540042 /nfs/dbraw/zinc/54/00/42/384540042.db2.gz BFELIWFWOQQYHC-MRXNPFEDSA-N 0 3 294.345 2.792 20 30 CFEDHN C[C@@H](Cn1cccn1)NCc1ccccc1C(C)(C)C#N ZINC000268941072 384698595 /nfs/dbraw/zinc/69/85/95/384698595.db2.gz BISKJSWKAHWZEZ-AWEZNQCLSA-N 0 3 282.391 2.863 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1ncnn1-c1ccccc1 ZINC000279630403 384700327 /nfs/dbraw/zinc/70/03/27/384700327.db2.gz YZLUXYRORVRKCG-ZIAGYGMSSA-N 0 3 270.380 2.958 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1ncnn1-c1ccccc1 ZINC000279630397 384700516 /nfs/dbraw/zinc/70/05/16/384700516.db2.gz YZLUXYRORVRKCG-KBPBESRZSA-N 0 3 270.380 2.958 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCCC[C@H]1C[C@H](C)O ZINC000279718140 384736275 /nfs/dbraw/zinc/73/62/75/384736275.db2.gz IQMCVVHTVVXSAD-BBRMVZONSA-N 0 3 288.391 2.692 20 30 CFEDHN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000269704289 384843397 /nfs/dbraw/zinc/84/33/97/384843397.db2.gz NAWBBTNYHGOVBP-JKSUJKDBSA-N 0 3 288.391 2.692 20 30 CFEDHN CN(C)CCN(Cc1ccccc1)c1cccc(C#N)n1 ZINC000270092706 384973442 /nfs/dbraw/zinc/97/34/42/384973442.db2.gz XMPPJVZCFVDMGA-UHFFFAOYSA-N 0 3 280.375 2.521 20 30 CFEDHN C=C(CNC[C@](C)(O)C(F)(F)F)c1ccccc1 ZINC000644647161 384975323 /nfs/dbraw/zinc/97/53/23/384975323.db2.gz CQWNMBJOPHCRMS-LBPRGKRZSA-N 0 3 259.271 2.603 20 30 CFEDHN C[C@H](C(=O)N1CCc2ccc(C#N)cc21)N1CCCCCC1 ZINC000270181299 385006108 /nfs/dbraw/zinc/00/61/08/385006108.db2.gz GLEVJTWPHRVMHD-CQSZACIVSA-N 0 3 297.402 2.712 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC(C2CC2)CC1 ZINC000644719688 385018444 /nfs/dbraw/zinc/01/84/44/385018444.db2.gz AJSFMUGGMOSMIZ-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C2CC2)CC1 ZINC000644719719 385018714 /nfs/dbraw/zinc/01/87/14/385018714.db2.gz CXFDLTAAALALOB-AWEZNQCLSA-N 0 3 276.424 2.698 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000280530649 385048438 /nfs/dbraw/zinc/04/84/38/385048438.db2.gz BWWGGUCTJLKMMF-HOCLYGCPSA-N 0 3 274.339 2.768 20 30 CFEDHN C=CCN1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000497221128 262111923 /nfs/dbraw/zinc/11/19/23/262111923.db2.gz UAGDUDAVUBCJHK-INIZCTEOSA-N 0 3 280.412 2.895 20 30 CFEDHN C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000270347492 385065356 /nfs/dbraw/zinc/06/53/56/385065356.db2.gz AWHBQNJOOVGRKU-CQSZACIVSA-N 0 3 290.407 2.976 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H]2CN(C)C[C@H]21)c1ccccc1 ZINC000644814736 385075011 /nfs/dbraw/zinc/07/50/11/385075011.db2.gz LTNWMUUDSICWJD-HYVNUMGLSA-N 0 3 284.403 2.509 20 30 CFEDHN CN(Cc1ccc(OCC#N)cc1)[C@@H]1CCSC1 ZINC000270493191 385123042 /nfs/dbraw/zinc/12/30/42/385123042.db2.gz GRIDBOTWQRWWEL-CYBMUJFWSA-N 0 3 262.378 2.526 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000280624863 385089516 /nfs/dbraw/zinc/08/95/16/385089516.db2.gz LLMBOXJLMWLFNV-CZUORRHYSA-N 0 3 261.365 2.771 20 30 CFEDHN C#CC[C@@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000270400991 385089705 /nfs/dbraw/zinc/08/97/05/385089705.db2.gz JSIJWIQBVRNHOE-RHSMWYFYSA-N 0 3 299.418 2.533 20 30 CFEDHN COC(=O)CC1(NCc2ccc(F)c(C#N)c2)CCCC1 ZINC000280636470 385095448 /nfs/dbraw/zinc/09/54/48/385095448.db2.gz ZEEGLOKSCISQEK-UHFFFAOYSA-N 0 3 290.338 2.663 20 30 CFEDHN C=CCCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280659693 385103380 /nfs/dbraw/zinc/10/33/80/385103380.db2.gz ZTPNJXLRKTWXQP-NSHDSACASA-N 0 3 275.270 2.784 20 30 CFEDHN C=CC[C@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000281120722 385183568 /nfs/dbraw/zinc/18/35/68/385183568.db2.gz BHGFYBPHJJFKIE-HOTGVXAUSA-N 0 3 281.359 2.711 20 30 CFEDHN C=CCN(CCOC)C[C@H]1CCN(c2ccccc2)C1 ZINC000639101091 385190155 /nfs/dbraw/zinc/19/01/55/385190155.db2.gz VYGXOWNLGLYAME-MRXNPFEDSA-N 0 3 274.408 2.647 20 30 CFEDHN C[C@H](C[C@@H](O)c1cccs1)NCc1ccc(C#N)o1 ZINC000270691477 385191964 /nfs/dbraw/zinc/19/19/64/385191964.db2.gz VZEAGDJTMWDHMA-ZWNOBZJWSA-N 0 3 276.361 2.815 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C(=O)OCC)o1 ZINC000280814629 385164029 /nfs/dbraw/zinc/16/40/29/385164029.db2.gz UQRGULXGVWCZRO-DOMZBBRYSA-N 0 3 293.363 2.527 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(C(=O)OCC)o1 ZINC000280814637 385164426 /nfs/dbraw/zinc/16/44/26/385164426.db2.gz UQRGULXGVWCZRO-SWLSCSKDSA-N 0 3 293.363 2.527 20 30 CFEDHN C#CCCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000270635496 385171314 /nfs/dbraw/zinc/17/13/14/385171314.db2.gz QZPULYAKJOVXPL-KRWDZBQOSA-N 0 3 273.376 2.700 20 30 CFEDHN COc1cc(CN(C)C[C@@H]2CCCC[C@H]2O)ccc1C#N ZINC000282127348 385220327 /nfs/dbraw/zinc/22/03/27/385220327.db2.gz BFUAOLBAINHZNJ-JKSUJKDBSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCN1CC[C@H](N2C[C@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000282138444 385223046 /nfs/dbraw/zinc/22/30/46/385223046.db2.gz ZHZNYXCJXHRGCN-UAGQMJEPSA-N 0 3 284.403 2.651 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)C1CCC(OC)CC1 ZINC000271038819 385315934 /nfs/dbraw/zinc/31/59/34/385315934.db2.gz MPIRUJLTJVKNSR-UHFFFAOYSA-N 0 3 288.391 2.956 20 30 CFEDHN COc1cc(CN(C)CCC2CCOCC2)ccc1C#N ZINC000282458070 385316359 /nfs/dbraw/zinc/31/63/59/385316359.db2.gz VKSSXIDABDFPTH-UHFFFAOYSA-N 0 3 288.391 2.815 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)CCCOC(C)C ZINC000270977954 385289948 /nfs/dbraw/zinc/28/99/48/385289948.db2.gz BVRCYDZMZYKIAT-UHFFFAOYSA-N 0 3 276.380 2.814 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccccc1C(F)(F)F ZINC000347070523 533114275 /nfs/dbraw/zinc/11/42/75/533114275.db2.gz OAWMTDOVQNTYQE-VIFPVBQESA-N 0 3 270.254 2.524 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282533519 385336075 /nfs/dbraw/zinc/33/60/75/385336075.db2.gz VHTBBWIPCPYVFL-NRSFXHEJSA-N 0 3 296.414 2.535 20 30 CFEDHN CC(C#N)C(=O)NCCc1cccc2ccccc21 ZINC000347075461 533114596 /nfs/dbraw/zinc/11/45/96/533114596.db2.gz SECYOLUSVDYLST-LBPRGKRZSA-N 0 3 252.317 2.658 20 30 CFEDHN C[C@@]1(CCCO)CCCN1Cc1cc(C#N)ccc1F ZINC000271177384 385364537 /nfs/dbraw/zinc/36/45/37/385364537.db2.gz GDMWVYXVDSDBSQ-INIZCTEOSA-N 0 3 276.355 2.824 20 30 CFEDHN C=C(C)COc1cc(CN(CC)CCCO)ccc1OC ZINC000271186669 385367951 /nfs/dbraw/zinc/36/79/51/385367951.db2.gz JSGVWKGCESYWDO-UHFFFAOYSA-N 0 3 293.407 2.854 20 30 CFEDHN N#Cc1ccc(CN2CCCC3(CCOCC3)C2)o1 ZINC000271188191 385368678 /nfs/dbraw/zinc/36/86/78/385368678.db2.gz OBUBFAPLAQRUEY-UHFFFAOYSA-N 0 3 260.337 2.544 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000352707294 533116148 /nfs/dbraw/zinc/11/61/48/533116148.db2.gz QXJHFODKZYSKHK-QWRGUYRKSA-N 0 3 269.304 2.678 20 30 CFEDHN C=CCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282748037 385382398 /nfs/dbraw/zinc/38/23/98/385382398.db2.gz NPHHBJRGUWLEGU-CQSZACIVSA-N 0 3 251.757 2.817 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@H]2CC3CCC2CC3)nn1 ZINC000639274717 385403405 /nfs/dbraw/zinc/40/34/05/385403405.db2.gz KHKWPKJKZVXLBB-UWLZSVRSSA-N 0 3 274.412 2.769 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000336487435 533117621 /nfs/dbraw/zinc/11/76/21/533117621.db2.gz BIVOLRCXTPWDNS-POYBYMJQSA-N 0 3 254.742 2.665 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC000283313370 385455727 /nfs/dbraw/zinc/45/57/27/385455727.db2.gz ZCWYTYZLWFGNLG-CHWSQXEVSA-N 0 3 293.794 2.869 20 30 CFEDHN N#Cc1ccc(CN2CCN(CCCCCF)CC2)cc1 ZINC000283942920 385516520 /nfs/dbraw/zinc/51/65/20/385516520.db2.gz DDCAKPOLHZSPKE-UHFFFAOYSA-N 0 3 289.398 2.816 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)C[C@H]1CCCC[C@H]1O ZINC000272449820 385540261 /nfs/dbraw/zinc/54/02/61/385540261.db2.gz BYYIOTZVFBDIIT-NVXWUHKLSA-N 0 3 275.367 2.660 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1 ZINC000272471673 385545525 /nfs/dbraw/zinc/54/55/25/385545525.db2.gz LKKMLTBDCXBPQZ-NJAFHUGGSA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCC[C@H](NC[C@@H](C)CN1CCOCC1)c1ccco1 ZINC000286239706 385576230 /nfs/dbraw/zinc/57/62/30/385576230.db2.gz TWUJNDBHTWFFAH-CVEARBPZSA-N 0 3 292.423 2.845 20 30 CFEDHN C=CCOCCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000272525756 385558203 /nfs/dbraw/zinc/55/82/03/385558203.db2.gz IMXHZCVXPYPCOX-LBPRGKRZSA-N 0 3 265.401 2.800 20 30 CFEDHN C=CCC[C@H](NCCN1CCOCC1(C)C)c1ccco1 ZINC000286190844 385569247 /nfs/dbraw/zinc/56/92/47/385569247.db2.gz RHOROYVAJRVKGI-HNNXBMFYSA-N 0 3 292.423 2.987 20 30 CFEDHN C=CCC[C@H](NC[C@](C)(O)CCOC)c1ccco1 ZINC000286215214 385573115 /nfs/dbraw/zinc/57/31/15/385573115.db2.gz SFBOTTJCRUIUSC-DZGCQCFKSA-N 0 3 267.369 2.664 20 30 CFEDHN C=CCC[C@H](NC[C@@H](CO)[C@@H]1CCOC1)c1ccco1 ZINC000286369423 385599746 /nfs/dbraw/zinc/59/97/46/385599746.db2.gz ADADNVCMWYNRAM-ILXRZTDVSA-N 0 3 279.380 2.522 20 30 CFEDHN CCC[C@@]1(CO)CCN(CC#Cc2ccccc2)C1 ZINC000288756309 197159565 /nfs/dbraw/zinc/15/95/65/197159565.db2.gz IKONEUMZTQMMEL-QGZVFWFLSA-N 0 3 257.377 2.523 20 30 CFEDHN CN1CC[C@H](Nc2cc(C#N)ccn2)[C@@H]1c1ccccc1 ZINC000286420133 385616357 /nfs/dbraw/zinc/61/63/57/385616357.db2.gz HFQSYMQDZPBCKM-RDJZCZTQSA-N 0 3 278.359 2.811 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H]1CCC[C@H]1c1ccccc1 ZINC000272800438 385620090 /nfs/dbraw/zinc/62/00/90/385620090.db2.gz BHHZAOLRIIOKOR-HOTGVXAUSA-N 0 3 293.432 2.513 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCO[C@@H]1C ZINC000639642520 385629286 /nfs/dbraw/zinc/62/92/86/385629286.db2.gz TVGLGAZLUCYSKD-ZIAGYGMSSA-N 0 3 279.380 2.575 20 30 CFEDHN C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272900686 385647910 /nfs/dbraw/zinc/64/79/10/385647910.db2.gz IQVRXDRBOKHHPL-LLVKDONJSA-N 0 3 286.335 2.529 20 30 CFEDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)C1=CCN(C)CC1 ZINC000272916200 385652525 /nfs/dbraw/zinc/65/25/25/385652525.db2.gz JZEOAXBGTVRDAQ-NSHDSACASA-N 0 3 286.335 2.529 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(c2ccc(F)cn2)CC1 ZINC000639872628 385741764 /nfs/dbraw/zinc/74/17/64/385741764.db2.gz MQHGJIHFNPCNIH-OAHLLOKOSA-N 0 3 278.371 2.727 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287038732 385768065 /nfs/dbraw/zinc/76/80/65/385768065.db2.gz STUZAKOBYQDRAE-UONOGXRCSA-N 0 3 293.407 2.990 20 30 CFEDHN C=CCCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639920161 385771659 /nfs/dbraw/zinc/77/16/59/385771659.db2.gz WSKUDCYTWNQMBY-GFCCVEGCSA-N 0 3 259.271 2.905 20 30 CFEDHN C#CCN(CCC(=O)Nc1ccc(OCC)cc1)C1CC1 ZINC000274112933 385721263 /nfs/dbraw/zinc/72/12/63/385721263.db2.gz FSDIYJJBDJSDJE-UHFFFAOYSA-N 0 3 286.375 2.512 20 30 CFEDHN CCC#C[C@H](C)N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639962640 385795177 /nfs/dbraw/zinc/79/51/77/385795177.db2.gz XRDNBHLSTFOZNO-INIZCTEOSA-N 0 3 298.430 2.991 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)N1CCc2ccc(C#N)cc21 ZINC000275027748 385914754 /nfs/dbraw/zinc/91/47/54/385914754.db2.gz IDCZJPIBAAKGRY-LBPRGKRZSA-N 0 3 285.391 2.614 20 30 CFEDHN C=CCN(C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000275058082 385924208 /nfs/dbraw/zinc/92/42/08/385924208.db2.gz OLHCSKCFQKYSPY-LBPRGKRZSA-N 0 3 288.160 2.739 20 30 CFEDHN C=C(C)CCN1CCN(Cc2csc(C)n2)CC1 ZINC000274736581 385859344 /nfs/dbraw/zinc/85/93/44/385859344.db2.gz DGMQJBKKIJUZQL-UHFFFAOYSA-N 0 3 265.426 2.535 20 30 CFEDHN C[C@@H]1[C@@H](NCc2ccc(C#N)o2)CCN1Cc1ccccc1 ZINC000288572947 197116697 /nfs/dbraw/zinc/11/66/97/197116697.db2.gz ZVDLYAAHGZOKKL-KDOFPFPSSA-N 0 3 295.386 2.904 20 30 CFEDHN C=C(C)CCN[C@H](C[S@](C)=O)c1ccccc1 ZINC000274801164 385873822 /nfs/dbraw/zinc/87/38/22/385873822.db2.gz FHIBXYQFJLTASR-PBHICJAKSA-N 0 3 251.395 2.662 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1ccccc1 ZINC000275102813 385932282 /nfs/dbraw/zinc/93/22/82/385932282.db2.gz COQLRPZWJLTOPY-WBAXXEDZSA-N 0 3 298.430 2.945 20 30 CFEDHN C=CCC[C@H](C(=O)N(C)CCN(C)C)c1ccccc1 ZINC000275104790 385932351 /nfs/dbraw/zinc/93/23/51/385932351.db2.gz DTARPNHSLNDRJT-INIZCTEOSA-N 0 3 274.408 2.756 20 30 CFEDHN COc1ccc(CN[C@@H](C)[C@H](O)c2ccccc2)cc1C#N ZINC000288488409 197092393 /nfs/dbraw/zinc/09/23/93/197092393.db2.gz HBIDVMGIRFCRLU-UGSOOPFHSA-N 0 3 296.370 2.779 20 30 CFEDHN C[C@H](COc1cccc(F)c1)NCc1cc(C#N)n(C)c1 ZINC000277002074 386104517 /nfs/dbraw/zinc/10/45/17/386104517.db2.gz ZJFQFUCMMOACFZ-GFCCVEGCSA-N 0 3 287.338 2.593 20 30 CFEDHN C[C@@H](COc1cccc(F)c1)NCc1cc(C#N)n(C)c1 ZINC000277002081 386104692 /nfs/dbraw/zinc/10/46/92/386104692.db2.gz ZJFQFUCMMOACFZ-LBPRGKRZSA-N 0 3 287.338 2.593 20 30 CFEDHN N#Cc1cccc(C2(NC[C@H]3CC4(CCC4)C(=O)O3)CC2)c1 ZINC000277008873 386105942 /nfs/dbraw/zinc/10/59/42/386105942.db2.gz PIWYLVBTHWHCGU-OAHLLOKOSA-N 0 3 296.370 2.623 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000277030640 386112471 /nfs/dbraw/zinc/11/24/71/386112471.db2.gz OBUMIBOFTWDLQE-WMZOPIPTSA-N 0 3 298.430 2.817 20 30 CFEDHN COc1cc(C#N)ccc1CN[C@H]1CCCC[C@@H]1OC ZINC000277095327 386127017 /nfs/dbraw/zinc/12/70/17/386127017.db2.gz ZLUBAOWRLRKWKF-GJZGRUSLSA-N 0 3 274.364 2.614 20 30 CFEDHN C=C(CNC(=O)C1CCN(C2CC2)CC1)c1ccccc1 ZINC000288355767 197056969 /nfs/dbraw/zinc/05/69/69/197056969.db2.gz WKEAFWQRVKNYEF-UHFFFAOYSA-N 0 3 284.403 2.690 20 30 CFEDHN C=CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000497308318 262138151 /nfs/dbraw/zinc/13/81/51/262138151.db2.gz ZEUFROJREXTOBF-UHFFFAOYSA-N 0 3 266.385 2.505 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(Cl)ccc1OC ZINC000186687054 260004794 /nfs/dbraw/zinc/00/47/94/260004794.db2.gz GDHWFQCTZSVYHM-CMPLNLGQSA-N 0 3 269.772 2.936 20 30 CFEDHN CCCCCCCC(=O)N1CCCN(CCCOC)CC1 ZINC000363657083 260014262 /nfs/dbraw/zinc/01/42/62/260014262.db2.gz UKEYOXBMEAPUEC-UHFFFAOYSA-N 0 3 298.471 2.918 20 30 CFEDHN C=CC1CCN(CC(=O)N(CCC)CCC)CC1 ZINC000111256619 262258106 /nfs/dbraw/zinc/25/81/06/262258106.db2.gz BRKQCMQOJHAFSQ-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C#CCSCCN[C@H](c1cncc(F)c1)C1CC1 ZINC000281704775 195345347 /nfs/dbraw/zinc/34/53/47/195345347.db2.gz SZFAYQJTEAHIFT-AWEZNQCLSA-N 0 3 264.369 2.628 20 30 CFEDHN COc1cc(CNC[C@]2(C)CCCC[C@@H]2O)ccc1C#N ZINC000281757198 195367946 /nfs/dbraw/zinc/36/79/46/195367946.db2.gz RLORXTIXGHUHFD-IRXDYDNUSA-N 0 3 288.391 2.598 20 30 CFEDHN COCCSc1ccc([C@H](C)NC(=O)C(C)C#N)cc1 ZINC000347117580 533269872 /nfs/dbraw/zinc/26/98/72/533269872.db2.gz UZAFTLOZRGOBCU-NEPJUHHUSA-N 0 3 292.404 2.762 20 30 CFEDHN CSc1ccc(CN=c2cc[nH]c(C#N)c2)cc1 ZINC000341850308 130092531 /nfs/dbraw/zinc/09/25/31/130092531.db2.gz SMVOFTYDNNWFCU-UHFFFAOYSA-N 0 3 255.346 2.709 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@]3(C2)CCCOC3)c1 ZINC000341978476 130164075 /nfs/dbraw/zinc/16/40/75/130164075.db2.gz AGSLRXSMQPBVFH-MRXNPFEDSA-N 0 3 256.349 2.561 20 30 CFEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1cc(C#N)n(C)c1 ZINC000191516555 130248388 /nfs/dbraw/zinc/24/83/88/130248388.db2.gz WSSQFSNMFPPZDG-SMDDNHRTSA-N 0 3 289.404 2.560 20 30 CFEDHN C[C@](O)(CNCc1ccc(C#N)o1)C1CCCCC1 ZINC000191674279 130275630 /nfs/dbraw/zinc/27/56/30/130275630.db2.gz PFIIDBZZGXGGGE-HNNXBMFYSA-N 0 3 262.353 2.572 20 30 CFEDHN C#CCN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000192093867 130368531 /nfs/dbraw/zinc/36/85/31/130368531.db2.gz NVWJRGCTCXVKSH-CHWSQXEVSA-N 0 3 253.704 2.532 20 30 CFEDHN C[C@@H]1CCN(CCOc2ccc(C#N)cc2)CCS1 ZINC000192192219 130391687 /nfs/dbraw/zinc/39/16/87/130391687.db2.gz DJORNGFBENVCEI-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN C[C@](CO)(CNCc1cccc(C#N)c1)c1ccccc1 ZINC000342224682 130395583 /nfs/dbraw/zinc/39/55/83/130395583.db2.gz JCGYCUZKSCOACC-GOSISDBHSA-N 0 3 280.371 2.598 20 30 CFEDHN C[C@@H](NCc1cc(C#N)cs1)[C@@H]1CCCCO1 ZINC000356690714 130399095 /nfs/dbraw/zinc/39/90/95/130399095.db2.gz FUSOCURJJCGECI-MFKMUULPSA-N 0 3 250.367 2.667 20 30 CFEDHN C=CCOCCNCc1ccc2nc(C)sc2c1 ZINC000683147465 542646785 /nfs/dbraw/zinc/64/67/85/542646785.db2.gz OBWIPTNBFUHPDP-UHFFFAOYSA-N 0 3 262.378 2.897 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1nccs1)C(C)C ZINC000683537148 542694536 /nfs/dbraw/zinc/69/45/36/542694536.db2.gz SUHITNBHXUKEBW-CYBMUJFWSA-N 0 3 293.436 2.572 20 30 CFEDHN C=CCCC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000263959955 131369138 /nfs/dbraw/zinc/36/91/38/131369138.db2.gz DFSKWPTURFWNQO-ZDUSSCGKSA-N 0 3 278.421 2.967 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000264043339 131385116 /nfs/dbraw/zinc/38/51/16/131385116.db2.gz SQXZUVXNMIJNEF-SFHVURJKSA-N 0 3 296.370 2.602 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000264043337 131385268 /nfs/dbraw/zinc/38/52/68/131385268.db2.gz SQXZUVXNMIJNEF-GOSISDBHSA-N 0 3 296.370 2.602 20 30 CFEDHN C=CCC[C@H](O)CN1CCc2sccc2[C@H]1C ZINC000268530493 132022957 /nfs/dbraw/zinc/02/29/57/132022957.db2.gz FLDSRODYTPLYCE-NEPJUHHUSA-N 0 3 251.395 2.994 20 30 CFEDHN C=CCN(CCc1ccccc1)Cc1cnn(C)c1C ZINC000268915427 132087524 /nfs/dbraw/zinc/08/75/24/132087524.db2.gz NVQXTNXJHBXFBP-UHFFFAOYSA-N 0 3 269.392 2.959 20 30 CFEDHN CC1CCN(CCSc2ccc(C#N)cn2)CC1 ZINC000269198112 132129810 /nfs/dbraw/zinc/12/98/10/132129810.db2.gz YABLXNLCGBOJEV-UHFFFAOYSA-N 0 3 261.394 2.777 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(C#N)cc2F)[C@H]2CCO[C@@H]21 ZINC000269422087 132168333 /nfs/dbraw/zinc/16/83/33/132168333.db2.gz LZZMNPSTQLLRGR-YUELXQCFSA-N 0 3 274.339 2.600 20 30 CFEDHN CC(C)C[C@H](CCO)CNCc1ccc(C#N)cc1F ZINC000269423453 132169265 /nfs/dbraw/zinc/16/92/65/132169265.db2.gz MTZMMSFXWAPQLI-AWEZNQCLSA-N 0 3 278.371 2.832 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCC[C@H]3OCC[C@@H]32)c(F)c1 ZINC000269442164 132170969 /nfs/dbraw/zinc/17/09/69/132170969.db2.gz SZJQEEQPUIQKHD-FVQBIDKESA-N 0 3 274.339 2.745 20 30 CFEDHN C=CCCCC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372438210 393449516 /nfs/dbraw/zinc/44/95/16/393449516.db2.gz GDPGCGQBILBDPU-RDJZCZTQSA-N 0 3 287.407 2.547 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC)N(C)C ZINC000298405872 393453433 /nfs/dbraw/zinc/45/34/33/393453433.db2.gz WBCXSPRVZNHFKW-INIZCTEOSA-N 0 3 287.407 2.637 20 30 CFEDHN COC(=O)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC12CCC2 ZINC000373181454 393464665 /nfs/dbraw/zinc/46/46/65/393464665.db2.gz TVLJQYDYZIKTQK-XJKSGUPXSA-N 0 3 298.386 2.894 20 30 CFEDHN C[C@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000373811961 393472873 /nfs/dbraw/zinc/47/28/73/393472873.db2.gz OKIXFAVBFQXCCP-HOCLYGCPSA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1n[nH]c2ccccc21 ZINC000329533086 393541784 /nfs/dbraw/zinc/54/17/84/393541784.db2.gz KEGBZOIKJXPLTO-BZNIZROVSA-N 0 3 298.390 2.545 20 30 CFEDHN C[C@@H](C(=O)NC1CCC(C)CC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329656913 393546816 /nfs/dbraw/zinc/54/68/16/393546816.db2.gz MXRHKOBGIIZOKP-BCGZFJLLSA-N 0 3 294.439 2.613 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000180996049 393487492 /nfs/dbraw/zinc/48/74/92/393487492.db2.gz LZPJNXGAYXBLOX-MRXNPFEDSA-N 0 3 289.423 2.815 20 30 CFEDHN CO[C@@H]1C[C@@H](NCc2cccc(C#N)c2)C12CCC2 ZINC000308341249 393515963 /nfs/dbraw/zinc/51/59/63/393515963.db2.gz ITZFFOIWQHAWFW-HUUCEWRRSA-N 0 3 256.349 2.605 20 30 CFEDHN C#CCSCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000183298216 393518094 /nfs/dbraw/zinc/51/80/94/393518094.db2.gz ZZUKHWWTACTLFN-AWEZNQCLSA-N 0 3 285.359 2.608 20 30 CFEDHN C=CCNC(=O)CN[C@@H](c1ccccc1C)C(C)C ZINC000183214334 393518400 /nfs/dbraw/zinc/51/84/00/393518400.db2.gz BEIFKHITNVRMEV-MRXNPFEDSA-N 0 3 260.381 2.584 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)CC=C)cc1Cl ZINC000184285160 393526376 /nfs/dbraw/zinc/52/63/76/393526376.db2.gz WTOBLOXQWPEXJR-ZDUSSCGKSA-N 0 3 281.783 2.931 20 30 CFEDHN C=CCC[C@H](CO)NCc1csc(Br)c1 ZINC000320295661 393528380 /nfs/dbraw/zinc/52/83/80/393528380.db2.gz RDAIJVAWVRWMGD-SNVBAGLBSA-N 0 3 290.226 2.927 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(Br)s1 ZINC000320529265 393529515 /nfs/dbraw/zinc/52/95/15/393529515.db2.gz PPMXZUQAGPQRDJ-SECBINFHSA-N 0 3 290.226 2.927 20 30 CFEDHN CCc1noc(C)c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000329488066 393537462 /nfs/dbraw/zinc/53/74/62/393537462.db2.gz GWGMEDDNEYMEOX-JTQLQIEISA-N 0 3 277.368 2.500 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1c2ccccc2CCC[C@H]1C ZINC000331410715 393556402 /nfs/dbraw/zinc/55/64/02/393556402.db2.gz JJVLIFAUSZYMEZ-JMSVASOKSA-N 0 3 256.349 2.976 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)c1ccco1)C(C)C ZINC000046049368 393574683 /nfs/dbraw/zinc/57/46/83/393574683.db2.gz NIHJKHOEVHLGMR-CQSZACIVSA-N 0 3 276.380 2.708 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)CC(C)C)C(C)C ZINC000046049358 393575264 /nfs/dbraw/zinc/57/52/64/393575264.db2.gz LUADEVOFUJEXGD-HNNXBMFYSA-N 0 3 266.429 2.847 20 30 CFEDHN CC[C@H]1C[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000334427982 393600091 /nfs/dbraw/zinc/60/00/91/393600091.db2.gz HQSPGWZHUXVIMT-JSGCOSHPSA-N 0 3 268.364 2.826 20 30 CFEDHN CC[C@@H]1C[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000334427981 393600122 /nfs/dbraw/zinc/60/01/22/393600122.db2.gz HQSPGWZHUXVIMT-GXTWGEPZSA-N 0 3 268.364 2.826 20 30 CFEDHN C[C@H]1C[C@@H](O)CCN1Cc1ccccc1C(C)(C)C#N ZINC000334492142 393603263 /nfs/dbraw/zinc/60/32/63/393603263.db2.gz HCQOEMDNASJXJH-ZFWWWQNUSA-N 0 3 272.392 2.833 20 30 CFEDHN CC(C)[C@@H](C(=O)N1CCC(C)(C#N)CC1)N1CCCCC1 ZINC000334243478 393584514 /nfs/dbraw/zinc/58/45/14/393584514.db2.gz YOIJBQCKMUYAST-HNNXBMFYSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCSCCNCc1cccc(OC)c1F ZINC000194157011 393679463 /nfs/dbraw/zinc/67/94/63/393679463.db2.gz LAXKHZJEINRGPM-UHFFFAOYSA-N 0 3 255.358 2.843 20 30 CFEDHN CN(C)CCNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000193524240 393654341 /nfs/dbraw/zinc/65/43/41/393654341.db2.gz QNSDURSXYFBLHW-UHFFFAOYSA-N 0 3 292.745 2.872 20 30 CFEDHN CC[C@@H]1CN(CCOc2cccc(C#N)c2)CCS1 ZINC000076073841 393684338 /nfs/dbraw/zinc/68/43/38/393684338.db2.gz IYZQZMFLOYVTFZ-OAHLLOKOSA-N 0 3 276.405 2.764 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000335500514 393672843 /nfs/dbraw/zinc/67/28/43/393672843.db2.gz QIGHAYZFOBXHPQ-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN COC(=O)[C@H]1CCN(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411625872 393731575 /nfs/dbraw/zinc/73/15/75/393731575.db2.gz XSCXUTFMQVTWGK-GJZGRUSLSA-N 0 3 292.423 2.982 20 30 CFEDHN CCN(CC(=O)NC1(C#N)CCCCC1)C1CC(C)(C)C1 ZINC000412039833 393761389 /nfs/dbraw/zinc/76/13/89/393761389.db2.gz QKQJWVCZHSNHQH-UHFFFAOYSA-N 0 3 291.439 2.840 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc(F)c1C#N ZINC000411647474 393735235 /nfs/dbraw/zinc/73/52/35/393735235.db2.gz NZSCSLNXQPRXHM-UHFFFAOYSA-N 0 3 275.371 2.637 20 30 CFEDHN COC[C@H](NCCC1(C#N)CCCCC1)[C@@H]1CCCO1 ZINC000411660495 393736242 /nfs/dbraw/zinc/73/62/42/393736242.db2.gz ALSUSYCXVXWPIS-GJZGRUSLSA-N 0 3 280.412 2.634 20 30 CFEDHN C[C@@H](CC#N)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411749213 393745038 /nfs/dbraw/zinc/74/50/38/393745038.db2.gz VCJIDPRIRITYJB-AWEZNQCLSA-N 0 3 285.391 2.704 20 30 CFEDHN CC(C)C[C@H](C)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000337134435 393754271 /nfs/dbraw/zinc/75/42/71/393754271.db2.gz LOSYQLRUKQYMRB-HNNXBMFYSA-N 0 3 286.423 2.757 20 30 CFEDHN CC(C#N)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000335654396 393686689 /nfs/dbraw/zinc/68/66/89/393686689.db2.gz RNRSRYXHLRJFMG-OCCSQVGLSA-N 0 3 257.337 2.685 20 30 CFEDHN CC(C#N)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000335755889 393698420 /nfs/dbraw/zinc/69/84/20/393698420.db2.gz KIEVCOLZJSAIFL-IUCAKERBSA-N 0 3 264.275 2.570 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000336083569 393717044 /nfs/dbraw/zinc/71/70/44/393717044.db2.gz FZLKLIMMJJZLAT-BDAKNGLRSA-N 0 3 262.275 2.583 20 30 CFEDHN C=CCOc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000338171681 393776451 /nfs/dbraw/zinc/77/64/51/393776451.db2.gz AJIHNPAFDQUCQP-UHFFFAOYSA-N 0 3 286.419 2.779 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H]2CCCC(F)(F)C2)C1=O ZINC000338342034 393781632 /nfs/dbraw/zinc/78/16/32/393781632.db2.gz FCZIKWWCECYNJG-QWHCGFSZSA-N 0 3 286.366 2.531 20 30 CFEDHN Cc1nn(-c2ccccn2)c(C)c1CNCC1(CC#N)CC1 ZINC000338442646 393787746 /nfs/dbraw/zinc/78/77/46/393787746.db2.gz XGKZXJINELEXDE-UHFFFAOYSA-N 0 3 295.390 2.668 20 30 CFEDHN C=C(C)CN(C)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000338577981 393792398 /nfs/dbraw/zinc/79/23/98/393792398.db2.gz DDMLWJXPOBUSKO-UHFFFAOYSA-N 0 3 272.392 2.931 20 30 CFEDHN C=CC1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000237869816 393795132 /nfs/dbraw/zinc/79/51/32/393795132.db2.gz WJWXHCYTAOMCFZ-HNNXBMFYSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CCOCCN(C)[C@@H](C)c1sc(C)nc1C ZINC000338981793 393808975 /nfs/dbraw/zinc/80/89/75/393808975.db2.gz PVKSZQGLJNOTJZ-NSHDSACASA-N 0 3 254.399 2.955 20 30 CFEDHN N#CCCOCCN(CCC(F)(F)F)CC1CC1 ZINC000339014619 393810248 /nfs/dbraw/zinc/81/02/48/393810248.db2.gz FGLBRZWIMWNDOL-UHFFFAOYSA-N 0 3 264.291 2.581 20 30 CFEDHN C=CCOCCN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000339016866 393811491 /nfs/dbraw/zinc/81/14/91/393811491.db2.gz ZSJFGRBPQKHOQO-QGZVFWFLSA-N 0 3 275.392 2.523 20 30 CFEDHN C[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000245514148 393812476 /nfs/dbraw/zinc/81/24/76/393812476.db2.gz BLQDWYJEIFFSAI-CPUCHLNUSA-N 0 3 297.402 2.784 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000339065106 393815556 /nfs/dbraw/zinc/81/55/56/393815556.db2.gz HNHZAZKNYMCUAZ-DMDPSCGWSA-N 0 3 258.321 2.758 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCO2 ZINC000339065107 393815698 /nfs/dbraw/zinc/81/56/98/393815698.db2.gz HNHZAZKNYMCUAZ-GMXVVIOVSA-N 0 3 258.321 2.758 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000339082217 393816832 /nfs/dbraw/zinc/81/68/32/393816832.db2.gz STQMOBJIJJPLKH-KBMXLJTQSA-N 0 3 280.375 2.975 20 30 CFEDHN CC(C)[C@@H](C)NC(=O)C1CCN(CCC(C)(C)C#N)CC1 ZINC000345714386 393914200 /nfs/dbraw/zinc/91/42/00/393914200.db2.gz QOBCOKAAZFDRJX-CQSZACIVSA-N 0 3 293.455 2.799 20 30 CFEDHN C[C@H]1CCCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248575731 393911675 /nfs/dbraw/zinc/91/16/75/393911675.db2.gz TUFUFIGCCFAEJC-YOEHRIQHSA-N 0 3 297.402 2.786 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H](C)CC ZINC000343488888 393886967 /nfs/dbraw/zinc/88/69/67/393886967.db2.gz XAZFJPJNRMJRCA-KGLIPLIRSA-N 0 3 254.418 2.777 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCCC[C@@H]2C)C1=O ZINC000343595372 393887571 /nfs/dbraw/zinc/88/75/71/393887571.db2.gz ATACDVKORABCNB-KKUMJFAQSA-N 0 3 264.413 2.531 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000426959485 393891061 /nfs/dbraw/zinc/89/10/61/393891061.db2.gz JLMWUMUSDHJTEO-CXTNEJHOSA-N 0 3 256.349 2.939 20 30 CFEDHN COC(=O)CCN(CC#Cc1ccc(Cl)cc1)C(C)C ZINC000427019175 393891470 /nfs/dbraw/zinc/89/14/70/393891470.db2.gz IEOVJDGZVFTGKW-UHFFFAOYSA-N 0 3 293.794 2.965 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C2CC2)C1 ZINC000344007835 393893240 /nfs/dbraw/zinc/89/32/40/393893240.db2.gz HDXKQQKXYPICOT-ZFWWWQNUSA-N 0 3 264.413 2.531 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H]2CCO)cc1OC ZINC000428469191 393897448 /nfs/dbraw/zinc/89/74/48/393897448.db2.gz SKDHXCHOWJGEAW-OAHLLOKOSA-N 0 3 291.391 2.607 20 30 CFEDHN CC(C#N)C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000345662042 393913430 /nfs/dbraw/zinc/91/34/30/393913430.db2.gz JPYVARACMUMVQJ-GYSYKLTISA-N 0 3 260.312 2.895 20 30 CFEDHN CC(C)[C@@H](C)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470983225 393901678 /nfs/dbraw/zinc/90/16/78/393901678.db2.gz LOLGAGTXFJSXNN-XJKSGUPXSA-N 0 3 283.375 2.649 20 30 CFEDHN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCC(C)(C)C#N ZINC000345708652 393914192 /nfs/dbraw/zinc/91/41/92/393914192.db2.gz BQRYSHUODHDTLT-CABCVRRESA-N 0 3 279.428 2.648 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000684621144 542838485 /nfs/dbraw/zinc/83/84/85/542838485.db2.gz SZSPIDNUIMKMJA-GOSISDBHSA-N 0 3 299.418 2.919 20 30 CFEDHN Cc1ccc(C)c([C@@H]2CN(C(=O)C(C)C#N)[C@@H](C)CO2)c1 ZINC000346327619 393926181 /nfs/dbraw/zinc/92/61/81/393926181.db2.gz JKOLDJZLWDITEF-DZKIICNBSA-N 0 3 286.375 2.752 20 30 CFEDHN Cc1ccc(C)c([C@@H]2CN(C(=O)C(C)C#N)[C@H](C)CO2)c1 ZINC000346327621 393926372 /nfs/dbraw/zinc/92/63/72/393926372.db2.gz JKOLDJZLWDITEF-LZWOXQAQSA-N 0 3 286.375 2.752 20 30 CFEDHN CCC[C@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000120886236 393942627 /nfs/dbraw/zinc/94/26/27/393942627.db2.gz ZFLLGPLNPXXNFY-GJZGRUSLSA-N 0 3 279.428 2.507 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000121120449 393949343 /nfs/dbraw/zinc/94/93/43/393949343.db2.gz VOVNZCHBCGNNHX-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000346159558 393921925 /nfs/dbraw/zinc/92/19/25/393921925.db2.gz HQDWGEFLFUGGKP-WMLDXEAASA-N 0 3 297.402 2.566 20 30 CFEDHN N#CCCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690118 394017181 /nfs/dbraw/zinc/01/71/81/394017181.db2.gz ZQPFLMNSTTYINA-UHFFFAOYSA-N 0 3 272.396 2.703 20 30 CFEDHN CO[C@@H](C)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352933364 394022054 /nfs/dbraw/zinc/02/20/54/394022054.db2.gz GICJNFXHOQWVAO-VIFPVBQESA-N 0 3 272.270 2.702 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCSC1 ZINC000348633619 393955903 /nfs/dbraw/zinc/95/59/03/393955903.db2.gz KNHWQYXTJMBVPY-ZDUSSCGKSA-N 0 3 281.421 2.903 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1CCC ZINC000348812824 393959422 /nfs/dbraw/zinc/95/94/22/393959422.db2.gz WNWXJINVDUUSMB-HNNXBMFYSA-N 0 3 264.413 2.842 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H](O)CCOC(C)C ZINC000349239233 393965875 /nfs/dbraw/zinc/96/58/75/393965875.db2.gz FPJIQHNZUJHTBM-QGZVFWFLSA-N 0 3 277.408 2.851 20 30 CFEDHN CC(C)N1C[C@H](Nc2nc3c(cc2C#N)CCC3)[C@@H](C)C1 ZINC000268261328 393990867 /nfs/dbraw/zinc/99/08/67/393990867.db2.gz RLJGVSXOSFTGDI-LRDDRELGSA-N 0 3 284.407 2.583 20 30 CFEDHN Cc1ccc(Cl)cc1NC(=O)C(C#N)c1ccncn1 ZINC000487502971 394006267 /nfs/dbraw/zinc/00/62/67/394006267.db2.gz MXDLPFUSXATOIP-NSHDSACASA-N 0 3 286.722 2.684 20 30 CFEDHN C[C@@H](NCC1(CC#N)CC1)c1ccc([S@](C)=O)cc1 ZINC000430753165 394006712 /nfs/dbraw/zinc/00/67/12/394006712.db2.gz JJTWNFFUJFOTPW-BLVKFPJESA-N 0 3 276.405 2.768 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000491338669 394048846 /nfs/dbraw/zinc/04/88/46/394048846.db2.gz KLMRSKONZPRNOK-HLLBOEOZSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CNCc1cnc(-c2ccccc2OC)nc1 ZINC000491390425 394049523 /nfs/dbraw/zinc/04/95/23/394049523.db2.gz UXVQYCADRMRGHV-UHFFFAOYSA-N 0 3 269.348 2.818 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437291723 394052449 /nfs/dbraw/zinc/05/24/49/394052449.db2.gz OHEJJIPRGRXVFR-XFBWCDHKSA-N 0 3 264.328 2.972 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCc2cc[nH]c(=O)c2C1 ZINC000276987582 394053106 /nfs/dbraw/zinc/05/31/06/394053106.db2.gz UFZWXJPAFSSXHI-GFCCVEGCSA-N 0 3 279.343 2.778 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000355261521 394061047 /nfs/dbraw/zinc/06/10/47/394061047.db2.gz CVSSFHIHOSZORP-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC000355283491 394062141 /nfs/dbraw/zinc/06/21/41/394062141.db2.gz SWHZTNUTXBWGGE-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@H](O)CSC ZINC000279440737 394066776 /nfs/dbraw/zinc/06/67/76/394066776.db2.gz YOBQVLWCEHCTQC-OAHLLOKOSA-N 0 3 265.422 2.789 20 30 CFEDHN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCOC1 ZINC000437804762 394077011 /nfs/dbraw/zinc/07/70/11/394077011.db2.gz VVLSDTXVBJMFPU-LBPRGKRZSA-N 0 3 296.317 2.628 20 30 CFEDHN CCCCCN(CCO)Cc1cc(C#N)ccc1OC ZINC000128995584 394079532 /nfs/dbraw/zinc/07/95/32/394079532.db2.gz GWLQSIIIEKSYNB-UHFFFAOYSA-N 0 3 276.380 2.551 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000438984259 394092661 /nfs/dbraw/zinc/09/26/61/394092661.db2.gz DQRPAMADWYTOAE-GJZGRUSLSA-N 0 3 299.418 2.859 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000353294812 394028168 /nfs/dbraw/zinc/02/81/68/394028168.db2.gz NCERAEXXNBNXDY-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCC1 ZINC000419229770 394035005 /nfs/dbraw/zinc/03/50/05/394035005.db2.gz PEBVHFONOFHLEG-HNNXBMFYSA-N 0 3 285.391 2.501 20 30 CFEDHN CC1(C)CCC[C@@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000419294910 394035960 /nfs/dbraw/zinc/03/59/60/394035960.db2.gz WJKGDCSIKUFWAD-ZBFHGGJFSA-N 0 3 299.418 2.891 20 30 CFEDHN C=CCC[C@H](NCCN1CCOC(C)(C)C1)c1ccco1 ZINC000286015445 394179345 /nfs/dbraw/zinc/17/93/45/394179345.db2.gz JKZJQOQLFVFLNQ-HNNXBMFYSA-N 0 3 292.423 2.987 20 30 CFEDHN C=C(CC)CN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000358855299 394114138 /nfs/dbraw/zinc/11/41/38/394114138.db2.gz AUUTVVRWCQORTC-MNOVXSKESA-N 0 3 251.292 2.730 20 30 CFEDHN C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000283375504 394131734 /nfs/dbraw/zinc/13/17/34/394131734.db2.gz CYADDQATWGGLLI-WXHSDQCUSA-N 0 3 289.404 2.503 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441285996 394137409 /nfs/dbraw/zinc/13/74/09/394137409.db2.gz YXQFUNHYOYNJSD-DLBZAZTESA-N 0 3 287.378 2.926 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359556282 394138160 /nfs/dbraw/zinc/13/81/60/394138160.db2.gz LXWAHFJZJLTJMJ-BFYDXBDKSA-N 0 3 291.439 2.507 20 30 CFEDHN C=C(CC)CN(C)Cc1ccc(OCC(=O)OC)cc1 ZINC000360317240 394148301 /nfs/dbraw/zinc/14/83/01/394148301.db2.gz NOQCFPFLDWCPNN-UHFFFAOYSA-N 0 3 277.364 2.636 20 30 CFEDHN C[C@H](C(=O)NCC(C)(C)CCC#N)N1[C@H](C)CC[C@H]1C ZINC000360427524 394152303 /nfs/dbraw/zinc/15/23/03/394152303.db2.gz VHRHBMNJWNKUNJ-MGPQQGTHSA-N 0 3 279.428 2.694 20 30 CFEDHN CCO[C@@H]1COCC[C@H]1N[C@H](CC)c1ccc(C#N)cc1 ZINC000447590260 394152628 /nfs/dbraw/zinc/15/26/28/394152628.db2.gz BFELTDSXIWBKBF-BRWVUGGUSA-N 0 3 288.391 2.793 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cc(C#N)ccc1OC ZINC000448509940 394155397 /nfs/dbraw/zinc/15/53/97/394155397.db2.gz KBVDEGKNNNQGLO-UHFFFAOYSA-N 0 3 287.407 2.507 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC2C(C)(C)C2(C)C)CC1 ZINC000360673964 394157836 /nfs/dbraw/zinc/15/78/36/394157836.db2.gz DNJCRZFVMFOBPC-UHFFFAOYSA-N 0 3 293.455 2.761 20 30 CFEDHN CC#CCCNCc1cnc(-c2ccccn2)s1 ZINC000360954921 394161802 /nfs/dbraw/zinc/16/18/02/394161802.db2.gz AGDKIUIJVNOHFE-UHFFFAOYSA-N 0 3 257.362 2.708 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H](CCO)CC1 ZINC000421025906 394162242 /nfs/dbraw/zinc/16/22/42/394162242.db2.gz ZMDJJZGHNXLGSW-AWEZNQCLSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCOc1cccc(CN2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000361158281 394167187 /nfs/dbraw/zinc/16/71/87/394167187.db2.gz ZFMGQSULXRCQME-LSDHHAIUSA-N 0 3 274.408 2.776 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@@H](CCO)CC1 ZINC000421048143 394168929 /nfs/dbraw/zinc/16/89/29/394168929.db2.gz YZBDXQQLGYBAOS-CQSZACIVSA-N 0 3 258.365 2.543 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)c(F)c1)[C@H]1CCOC1 ZINC000361421536 394173003 /nfs/dbraw/zinc/17/30/03/394173003.db2.gz USWOJWQVPIXGLR-AWEZNQCLSA-N 0 3 262.328 2.697 20 30 CFEDHN CC[C@H](C)N(CC#Cc1ccc(Cl)cc1)CCO ZINC000287293180 394204618 /nfs/dbraw/zinc/20/46/18/394204618.db2.gz IPQZPJOFYOSFSV-ZDUSSCGKSA-N 0 3 265.784 2.784 20 30 CFEDHN CC[C@H](C)[C@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000421368963 394205351 /nfs/dbraw/zinc/20/53/51/394205351.db2.gz VGWGMHKSCXJPHC-XHDPSFHLSA-N 0 3 264.344 2.584 20 30 CFEDHN CN1CC[C@H](CNc2ccncc2C#N)[C@@H]1c1cccs1 ZINC000364372127 394206410 /nfs/dbraw/zinc/20/64/10/394206410.db2.gz QPBCEPLGTQFULV-MLGOLLRUSA-N 0 3 298.415 2.542 20 30 CFEDHN C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1cccc(C#N)c1 ZINC000290192064 394227531 /nfs/dbraw/zinc/22/75/31/394227531.db2.gz FYVOYLDVDWMSQO-BJOOFOGMSA-N 0 3 294.354 2.703 20 30 CFEDHN C=C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000150835245 394254592 /nfs/dbraw/zinc/25/45/92/394254592.db2.gz VMEAAZVLRGKQIE-AWEZNQCLSA-N 0 3 287.407 2.525 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2)cc1F ZINC000421330993 394189132 /nfs/dbraw/zinc/18/91/32/394189132.db2.gz YYTZBLYOBCFEHY-MRXNPFEDSA-N 0 3 298.361 2.638 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2)cc1F ZINC000421330992 394189578 /nfs/dbraw/zinc/18/95/78/394189578.db2.gz YYTZBLYOBCFEHY-INIZCTEOSA-N 0 3 298.361 2.638 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000421349061 394194060 /nfs/dbraw/zinc/19/40/60/394194060.db2.gz XFQYVDJRUXOODR-QMMMGPOBSA-N 0 3 260.234 2.985 20 30 CFEDHN CC(C)[C@@H]1CN(c2cccc(Cl)c2C#N)CCN1C ZINC000450481429 394293751 /nfs/dbraw/zinc/29/37/51/394293751.db2.gz WESPFFYVXWOCSF-HNNXBMFYSA-N 0 3 277.799 2.988 20 30 CFEDHN C[C@H](NC[C@@H](O)C1CCC1)c1ccc(C#N)cc1F ZINC000453365093 394390992 /nfs/dbraw/zinc/39/09/92/394390992.db2.gz CQYYVBCWIRLSCC-ZUZCIYMTSA-N 0 3 262.328 2.509 20 30 CFEDHN CC(C)(CCC#N)CNCC(=O)N1CCCc2ccccc21 ZINC000174313348 394378376 /nfs/dbraw/zinc/37/83/76/394378376.db2.gz NXFFKYXMFXYFPA-UHFFFAOYSA-N 0 3 299.418 2.885 20 30 CFEDHN CCC[C@]1(C)CCCN(CC(=O)N(CC)CCC#N)C1 ZINC000174453769 394378836 /nfs/dbraw/zinc/37/88/36/394378836.db2.gz GXQBGTDINUCWTE-MRXNPFEDSA-N 0 3 279.428 2.651 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(c2ccccc2O)CC1 ZINC000174807739 394380004 /nfs/dbraw/zinc/38/00/04/394380004.db2.gz XMCXMLVQHRBISB-UHFFFAOYSA-N 0 3 287.407 2.844 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1ccc(C#N)cc1F ZINC000453338696 394387304 /nfs/dbraw/zinc/38/73/04/394387304.db2.gz CJXOXACUFJKPGT-DGCLKSJQSA-N 0 3 262.328 2.675 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)c(F)c1)[C@@H](C)O ZINC000453344856 394388285 /nfs/dbraw/zinc/38/82/85/394388285.db2.gz OCRLVBHUGAJPKU-RULNRJAQSA-N 0 3 250.317 2.507 20 30 CFEDHN C=CCN1CC[C@H](N2CCc3ccccc3[C@@H]2CC)C1=O ZINC000685001190 542886011 /nfs/dbraw/zinc/88/60/11/542886011.db2.gz QFDSKZVKZQICIT-IRXDYDNUSA-N 0 3 284.403 2.783 20 30 CFEDHN CCC#C[C@H](C)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000685582238 542930834 /nfs/dbraw/zinc/93/08/34/542930834.db2.gz LBWWCTVPINWHRK-BHYGNILZSA-N 0 3 256.393 2.823 20 30 CFEDHN CC(C)OC1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000531165046 394529528 /nfs/dbraw/zinc/52/95/28/394529528.db2.gz RSKHZPIXDKHQGP-UHFFFAOYSA-N 0 3 288.391 2.826 20 30 CFEDHN C[C@@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540706693 394651611 /nfs/dbraw/zinc/65/16/11/394651611.db2.gz XLNPYHSMDGMCTF-IUODEOHRSA-N 0 3 292.354 2.544 20 30 CFEDHN Cc1c(Cl)cnc(N[C@@H](C)C2=CCN(C)CC2)c1C#N ZINC000541349370 394672179 /nfs/dbraw/zinc/67/21/79/394672179.db2.gz LOAFTOPOAFOUQA-NSHDSACASA-N 0 3 290.798 2.977 20 30 CFEDHN N#Cc1ccc(Cl)cc1NC(=O)CNC1(C2CC2)CC1 ZINC000541595839 394678100 /nfs/dbraw/zinc/67/81/00/394678100.db2.gz ZUXQZDFEKIMJGZ-UHFFFAOYSA-N 0 3 289.766 2.682 20 30 CFEDHN CN(CCOc1ccc(C#N)cc1)CCc1ccccc1O ZINC000542317604 394700728 /nfs/dbraw/zinc/70/07/28/394700728.db2.gz CDQGWSBKAXORQK-UHFFFAOYSA-N 0 3 296.370 2.817 20 30 CFEDHN 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C=CCCn1cc(CN[C@@H]2CC[C@H](C)[C@H](C)C2)nn1 ZINC000657434264 413600497 /nfs/dbraw/zinc/60/04/97/413600497.db2.gz BPSARXJAGQBFGE-BFHYXJOUSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)C1 ZINC000660867838 413623945 /nfs/dbraw/zinc/62/39/45/413623945.db2.gz GJTMGYZEVQTOMI-ZNMIVQPWSA-N 0 3 291.439 2.609 20 30 CFEDHN C=CC[C@@H](CC)NCc1cnnn1-c1ccccc1 ZINC000651793290 413645352 /nfs/dbraw/zinc/64/53/52/413645352.db2.gz GIKPEKROYMRAJQ-CYBMUJFWSA-N 0 3 256.353 2.712 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@@H](c2nncn2C)C(C)C)C1 ZINC000651804829 413650520 /nfs/dbraw/zinc/65/05/20/413650520.db2.gz VYBIZHPUKBYVCF-HZSPNIEDSA-N 0 3 262.401 2.847 20 30 CFEDHN C=CCCn1cc(CNC[C@@H]2CCC[C@H]2CC)nn1 ZINC000657478830 413659924 /nfs/dbraw/zinc/65/99/24/413659924.db2.gz OXINOTJTLCSMTR-KGLIPLIRSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cccc(OC2CC2)c1F ZINC000657484189 413668311 /nfs/dbraw/zinc/66/83/11/413668311.db2.gz DJEOLSSFOJUUER-ZDUSSCGKSA-N 0 3 279.355 2.784 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(F)c(F)c1F ZINC000657485669 413672136 /nfs/dbraw/zinc/67/21/36/413672136.db2.gz PJHAHBKKEBNRHD-SNVBAGLBSA-N 0 3 259.271 2.521 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2c(CC)nn(C)c2OC)C1 ZINC000651748315 413610592 /nfs/dbraw/zinc/61/05/92/413610592.db2.gz HDZFQAUPMKCGAE-QWHCGFSZSA-N 0 3 277.412 2.826 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000660855128 413618187 /nfs/dbraw/zinc/61/81/87/413618187.db2.gz JZUJCRATDSEBAA-LZWOXQAQSA-N 0 3 293.455 2.903 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000660867836 413623651 /nfs/dbraw/zinc/62/36/51/413623651.db2.gz GJTMGYZEVQTOMI-RBSFLKMASA-N 0 3 291.439 2.609 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NCc1cncnc1OC ZINC000657530180 413712490 /nfs/dbraw/zinc/71/24/90/413712490.db2.gz NFLVCEFSGOLIAJ-OCCSQVGLSA-N 0 3 261.369 2.710 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C2CC2)nn1C ZINC000661116579 413769350 /nfs/dbraw/zinc/76/93/50/413769350.db2.gz YVERSQXZRZTLLZ-TZMCWYRMSA-N 0 3 274.412 2.917 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](C)C1(CO)CC1 ZINC000657601603 413785222 /nfs/dbraw/zinc/78/52/22/413785222.db2.gz BEGHKUBXEZPTHF-CYBMUJFWSA-N 0 3 261.365 2.502 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000654482071 413880972 /nfs/dbraw/zinc/88/09/72/413880972.db2.gz WUSDLPGVQIPWOK-ZIAGYGMSSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CCOCCCNCc1c(C)nc2sc(C)cn21 ZINC000657657826 413824468 /nfs/dbraw/zinc/82/44/68/413824468.db2.gz FGKVIZYPRYLNJW-UHFFFAOYSA-N 0 3 279.409 2.695 20 30 CFEDHN C=CCN(Cc1ccc(-n2ccnc2)cc1)[C@@H](C)COC ZINC000661243456 413847798 /nfs/dbraw/zinc/84/77/98/413847798.db2.gz KPLSTRNHGMJGJC-HNNXBMFYSA-N 0 3 285.391 2.895 20 30 CFEDHN C=CC[C@@H]1CCCN(CCn2c(C)csc2=O)C1 ZINC000661377241 413935749 /nfs/dbraw/zinc/93/57/49/413935749.db2.gz LNJFRCLXVYKQQI-CYBMUJFWSA-N 0 3 266.410 2.506 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)N(CC)CC)C1 ZINC000661378408 413936258 /nfs/dbraw/zinc/93/62/58/413936258.db2.gz FWVXUXHGMDQKBD-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCCCC)C1 ZINC000661378291 413936541 /nfs/dbraw/zinc/93/65/41/413936541.db2.gz BQLWOEASHCEJHH-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCCCC)C1 ZINC000661378290 413939455 /nfs/dbraw/zinc/93/94/55/413939455.db2.gz BQLWOEASHCEJHH-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC[C@@H]1CCCN(C[C@@H](O)CC(F)(F)F)C1 ZINC000661385442 413942550 /nfs/dbraw/zinc/94/25/50/413942550.db2.gz OSGLCLXVUQMTSX-MNOVXSKESA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000654665816 413949472 /nfs/dbraw/zinc/94/94/72/413949472.db2.gz QLCZEQPDABLSRF-LSDHHAIUSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCCn1cc(CN[C@H](C)C2CCC(F)CC2)nn1 ZINC000657748447 413906651 /nfs/dbraw/zinc/90/66/51/413906651.db2.gz UJMFTGPQVBXHRT-IYXRBSQSSA-N 0 3 280.391 2.861 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661408131 413956581 /nfs/dbraw/zinc/95/65/81/413956581.db2.gz OSZUYSYIYGEXKH-HUUCEWRRSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654734362 413986079 /nfs/dbraw/zinc/98/60/79/413986079.db2.gz JEOGJQOHABLJSE-OAGGEKHMSA-N 0 3 291.439 2.753 20 30 CFEDHN C#CCN(CCc1cnn(CC)c1)Cc1ccccc1 ZINC000285781951 196396743 /nfs/dbraw/zinc/39/67/43/196396743.db2.gz SOVMWLRVDZLTOW-UHFFFAOYSA-N 0 3 267.376 2.581 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnc2n1CCCC2 ZINC000657975037 414081944 /nfs/dbraw/zinc/08/19/44/414081944.db2.gz WGBGMNFFVYJMOD-UONOGXRCSA-N 0 3 274.412 2.839 20 30 CFEDHN C=CCN1CC[C@@H](N2CCCC(CC)(CC)C2)C1=O ZINC000661672893 414126272 /nfs/dbraw/zinc/12/62/72/414126272.db2.gz QKMOETMKENCBGI-CQSZACIVSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(CC(=O)NCCC(C)(C)C)C(C)(C)C ZINC000661756148 414193825 /nfs/dbraw/zinc/19/38/25/414193825.db2.gz DRVRWGAEKPJYAP-UHFFFAOYSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CCN(CC(=O)N1CCCCCC1)C(C)(C)C ZINC000661754780 414194375 /nfs/dbraw/zinc/19/43/75/414194375.db2.gz ANUHTJVUHZAISM-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN O[C@@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000661832721 414246964 /nfs/dbraw/zinc/24/69/64/414246964.db2.gz HHSPWXIXNZOBON-LSDHHAIUSA-N 0 3 275.779 2.585 20 30 CFEDHN C=CCC1(NCc2nnc(C)n2CCC)CCCC1 ZINC000661852108 414259746 /nfs/dbraw/zinc/25/97/46/414259746.db2.gz KFZFEBUVVVGGJZ-UHFFFAOYSA-N 0 3 262.401 2.975 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)NCc1nccc(OC)c1F ZINC000658225387 414300482 /nfs/dbraw/zinc/30/04/82/414300482.db2.gz BAXBDAIKVUQFGW-GHMZBOCLSA-N 0 3 252.333 2.920 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(C)CCCC(CC)CC ZINC000662037783 414376191 /nfs/dbraw/zinc/37/61/91/414376191.db2.gz KBFKZFJGMBFQTL-ZDUSSCGKSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000665394348 414322288 /nfs/dbraw/zinc/32/22/88/414322288.db2.gz JRZWXHSVYZFUHL-OWCLPIDISA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@H](CO)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000655759768 414413295 /nfs/dbraw/zinc/41/32/95/414413295.db2.gz GSVFTIBKIAORKI-MRXNPFEDSA-N 0 3 285.391 2.516 20 30 CFEDHN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@]1(C)CO ZINC000662138056 414429039 /nfs/dbraw/zinc/42/90/39/414429039.db2.gz BRBIICITLRTIPW-CJNGLKHVSA-N 0 3 277.795 2.642 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000662077370 414398520 /nfs/dbraw/zinc/39/85/20/414398520.db2.gz CFZHCRBHWXZXKJ-FPCVCCKLSA-N 0 3 276.424 2.674 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccc(C)cc1 ZINC000662078453 414398903 /nfs/dbraw/zinc/39/89/03/414398903.db2.gz CBDSOJAXPJRXJF-CALCHBBNSA-N 0 3 284.403 2.794 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC)CCC ZINC000662082169 414401599 /nfs/dbraw/zinc/40/15/99/414401599.db2.gz YPMPHDAPMNZWGG-GASCZTMLSA-N 0 3 264.413 2.818 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1cccc(C)c1 ZINC000662084016 414401808 /nfs/dbraw/zinc/40/18/08/414401808.db2.gz MCRSDRAUJLWYGH-CALCHBBNSA-N 0 3 284.403 2.794 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000662083065 414401842 /nfs/dbraw/zinc/40/18/42/414401842.db2.gz ZLUPWSORNIKLSU-HRCADAONSA-N 0 3 276.424 2.816 20 30 CFEDHN C=CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000659265313 414483244 /nfs/dbraw/zinc/48/32/44/414483244.db2.gz HUHHECFIJOBDAC-INIZCTEOSA-N 0 3 270.376 2.646 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@@H]1CCN(CC)C1=O ZINC000659920613 414615166 /nfs/dbraw/zinc/61/51/66/414615166.db2.gz QJPIJABWBBXNGT-OAHLLOKOSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCC(C)(C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000662953464 414637118 /nfs/dbraw/zinc/63/71/18/414637118.db2.gz NXRNZNVCUHZUAI-HNNXBMFYSA-N 0 3 272.392 2.734 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C)CC2)CC1 ZINC000171607098 335072569 /nfs/dbraw/zinc/07/25/69/335072569.db2.gz NMOMJUQJMHLUHF-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC12CCC2 ZINC001085347358 782021592 /nfs/dbraw/zinc/02/15/92/782021592.db2.gz MBBIEFUMMIZLQX-MGPQQGTHSA-N 0 3 296.842 2.946 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C)Cc1cccs1 ZINC000077176930 177230184 /nfs/dbraw/zinc/23/01/84/177230184.db2.gz JBAIDFONLZFORW-UHFFFAOYSA-N 0 3 266.410 2.605 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000077541253 177279649 /nfs/dbraw/zinc/27/96/49/177279649.db2.gz VNKJOQQRCCUUMA-INIZCTEOSA-N 0 3 289.423 2.897 20 30 CFEDHN N#CCC1(CNCc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000370516618 260071167 /nfs/dbraw/zinc/07/11/67/260071167.db2.gz BKQPWPTTZFNLEL-UHFFFAOYSA-N 0 3 284.338 2.999 20 30 CFEDHN Cc1oc2ccccc2c1CCNC(=O)C(C)C#N ZINC000344819569 225186764 /nfs/dbraw/zinc/18/67/64/225186764.db2.gz GLVUAJXONILIJI-SNVBAGLBSA-N 0 3 256.305 2.560 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000335025724 225396282 /nfs/dbraw/zinc/39/62/82/225396282.db2.gz KGCGRDAMAUKPAH-GXTWGEPZSA-N 0 3 256.349 2.941 20 30 CFEDHN CC(C#N)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000347062763 226010399 /nfs/dbraw/zinc/01/03/99/226010399.db2.gz GVCMJTUBKMPWCA-JTQLQIEISA-N 0 3 264.756 2.893 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000347069038 226013606 /nfs/dbraw/zinc/01/36/06/226013606.db2.gz MTMPCOYBNSQHQZ-BXUZGUMPSA-N 0 3 254.289 2.645 20 30 CFEDHN CC(C#N)C(=O)NCCc1c(Cl)cccc1Cl ZINC000347080111 226041765 /nfs/dbraw/zinc/04/17/65/226041765.db2.gz WENPPDZSEDLKDQ-MRVPVSSYSA-N 0 3 271.147 2.812 20 30 CFEDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(C)C#N ZINC000347102162 226050369 /nfs/dbraw/zinc/05/03/69/226050369.db2.gz DGHLEJGEBZAOBV-KWBADKCTSA-N 0 3 280.755 2.692 20 30 CFEDHN Cc1ccsc1[C@H](CO)NCCC(C)(C)C#N ZINC000347189959 226056135 /nfs/dbraw/zinc/05/61/35/226056135.db2.gz GNPOGZDGZDXFRP-NSHDSACASA-N 0 3 252.383 2.619 20 30 CFEDHN CC(C#N)C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000347037652 226022100 /nfs/dbraw/zinc/02/21/00/226022100.db2.gz NSSOAVJSBJBZCJ-SNVBAGLBSA-N 0 3 284.281 2.914 20 30 CFEDHN C[C@@H]1CN(CCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347600162 226213232 /nfs/dbraw/zinc/21/32/32/226213232.db2.gz LFQWIAISXSIXTF-JKSUJKDBSA-N 0 3 271.408 2.885 20 30 CFEDHN Cn1nccc1-c1ccccc1CN1CCC(C#N)CC1 ZINC000336600837 227168851 /nfs/dbraw/zinc/16/88/51/227168851.db2.gz FDMTZURWDXQKJO-UHFFFAOYSA-N 0 3 280.375 2.823 20 30 CFEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000336608946 227177370 /nfs/dbraw/zinc/17/73/70/227177370.db2.gz DXASZDQMUZOQNT-BBRMVZONSA-N 0 3 299.418 2.700 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(Cl)cc1 ZINC000336619373 227187008 /nfs/dbraw/zinc/18/70/08/227187008.db2.gz PMSVNMMFVTVOGA-SECBINFHSA-N 0 3 250.729 2.851 20 30 CFEDHN CO[C@H](CNCc1ccc(C#N)cc1F)CC(C)C ZINC000418094877 228032396 /nfs/dbraw/zinc/03/23/96/228032396.db2.gz IJOLBTNXIZOJOU-AWEZNQCLSA-N 0 3 264.344 2.848 20 30 CFEDHN C[C@@H]1CCN(C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356090082 228116966 /nfs/dbraw/zinc/11/69/66/228116966.db2.gz GXIMCXTUQJLKLG-WBVHZDCISA-N 0 3 299.418 2.627 20 30 CFEDHN COc1ccc([C@H](C)NCC2(CC#N)CC2)cc1O ZINC000353635100 228136823 /nfs/dbraw/zinc/13/68/23/228136823.db2.gz MNVFJBDKXSFSAY-NSHDSACASA-N 0 3 260.337 2.745 20 30 CFEDHN C=CCC[C@@H](O)CN1CCc2ccc(C(C)=O)cc2CC1 ZINC000371044621 260029219 /nfs/dbraw/zinc/02/92/19/260029219.db2.gz RTRSBZJXDCKTKK-GOSISDBHSA-N 0 3 287.403 2.617 20 30 CFEDHN CC#CCCCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187274514 260030040 /nfs/dbraw/zinc/03/00/40/260030040.db2.gz VGSNDZDOEGQRRA-QAPCUYQASA-N 0 3 286.419 2.988 20 30 CFEDHN C=CCNC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297514148 260128225 /nfs/dbraw/zinc/12/82/25/260128225.db2.gz MNCPOYNTCUGOPI-HZPDHXFCSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2ccccc2CC)CC1 ZINC000188454634 260142402 /nfs/dbraw/zinc/14/24/02/260142402.db2.gz OBWFLGGDNBYWRV-UHFFFAOYSA-N 0 3 286.419 2.558 20 30 CFEDHN C[C@H](C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)N1CCCCCC1 ZINC000073766799 260164296 /nfs/dbraw/zinc/16/42/96/260164296.db2.gz AWIBTQSAYIFQTO-INMHGKMJSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1(C#N)CCCCC1 ZINC000408023212 260173380 /nfs/dbraw/zinc/17/33/80/260173380.db2.gz YKEUYDLWLOMPCR-CABCVRRESA-N 0 3 291.439 2.697 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000517755086 260174500 /nfs/dbraw/zinc/17/45/00/260174500.db2.gz MXRHOUBSBPYZQQ-HUUCEWRRSA-N 0 3 272.392 2.737 20 30 CFEDHN N#CCCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055031396 260219585 /nfs/dbraw/zinc/21/95/85/260219585.db2.gz NQRSOFGMYMBGEY-UHFFFAOYSA-N 0 3 286.379 2.576 20 30 CFEDHN CN(CCCCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000057626083 260225494 /nfs/dbraw/zinc/22/54/94/260225494.db2.gz YJIICKGTKXSJJQ-UHFFFAOYSA-N 0 3 268.364 2.998 20 30 CFEDHN CCN(CC(=O)N(CCC#N)c1ccccc1)CC1CC1 ZINC000070015596 260263443 /nfs/dbraw/zinc/26/34/43/260263443.db2.gz DIAIAFRMRQFVKU-UHFFFAOYSA-N 0 3 285.391 2.665 20 30 CFEDHN CCOC[C@@H]1CCCCN1Cc1ccc(C#N)c(OC)c1 ZINC000313482566 260297982 /nfs/dbraw/zinc/29/79/82/260297982.db2.gz KMGNSRHKDCECIU-INIZCTEOSA-N 0 3 288.391 2.958 20 30 CFEDHN Cc1cnn(C2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000363472099 260312511 /nfs/dbraw/zinc/31/25/11/260312511.db2.gz QAUTWZJGOSUEFY-UHFFFAOYSA-N 0 3 260.385 2.768 20 30 CFEDHN CN(CCCC#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000081014313 260328950 /nfs/dbraw/zinc/32/89/50/260328950.db2.gz MAMMAZVAOUHCAD-MRXNPFEDSA-N 0 3 257.381 2.891 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090450939 260359735 /nfs/dbraw/zinc/35/97/35/260359735.db2.gz LSYQPLSQMLUGJW-LBPRGKRZSA-N 0 3 264.325 2.838 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)OCC(F)(F)F)n1 ZINC000155758958 261107489 /nfs/dbraw/zinc/10/74/89/261107489.db2.gz WPFKJPKLWRSKQG-ZETCQYMHSA-N 0 3 292.282 2.979 20 30 CFEDHN CC(C)[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000444754553 261163628 /nfs/dbraw/zinc/16/36/28/261163628.db2.gz TWXOLPRLPQEAPA-ZMSDIMECSA-N 0 3 293.455 2.797 20 30 CFEDHN CCN1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000368442808 261271650 /nfs/dbraw/zinc/27/16/50/261271650.db2.gz QUSUBYGPNUDOIH-KRWDZBQOSA-N 0 3 299.418 2.628 20 30 CFEDHN C[C@H](C(=O)N[C@@H](C#N)C1CCCCC1)N1CCCCCC1 ZINC000176623999 261299870 /nfs/dbraw/zinc/29/98/70/261299870.db2.gz ODCSXHGMYHQFGY-ZBFHGGJFSA-N 0 3 291.439 2.840 20 30 CFEDHN C#C[C@@H](NCc1ccccc1-c1ccnn1C)C(C)C ZINC000491072641 261318872 /nfs/dbraw/zinc/31/88/72/261318872.db2.gz UVBHATCTSFIIRT-MRXNPFEDSA-N 0 3 267.376 2.835 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000491201046 261367463 /nfs/dbraw/zinc/36/74/63/261367463.db2.gz FEMAWYJHWSFXIF-CQSZACIVSA-N 0 3 267.376 2.849 20 30 CFEDHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000181531472 261901008 /nfs/dbraw/zinc/90/10/08/261901008.db2.gz UPUQHZOHCYNSEA-DEYYWGMASA-N 0 3 299.418 2.577 20 30 CFEDHN COC[C@@H](NCCCC(C)(C)C#N)c1ccco1 ZINC000184517171 262022434 /nfs/dbraw/zinc/02/24/34/262022434.db2.gz MAIILKMLWLNIAR-GFCCVEGCSA-N 0 3 250.342 2.887 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(Cc2ccncc2)CC1 ZINC000184714577 262027207 /nfs/dbraw/zinc/02/72/07/262027207.db2.gz ICPOXTLKNHBJFQ-UHFFFAOYSA-N 0 3 286.423 2.529 20 30 CFEDHN CCCNC(=O)c1cccc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185782989 262070383 /nfs/dbraw/zinc/07/03/83/262070383.db2.gz JRDLXRYLVFSWND-YOEHRIQHSA-N 0 3 299.418 2.998 20 30 CFEDHN C[C@@]1(c2ccccc2)CC[C@@H](N2CCN(CC#N)CC2)C1 ZINC000187143935 262126112 /nfs/dbraw/zinc/12/61/12/262126112.db2.gz KINPTVWPXDOUKE-QZTJIDSGSA-N 0 3 283.419 2.638 20 30 CFEDHN CCN(CCN[C@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000497284924 262133977 /nfs/dbraw/zinc/13/39/77/262133977.db2.gz JIKVKOUDGPPARC-STQMWFEESA-N 0 3 281.400 2.525 20 30 CFEDHN N#CCC1(CNCc2cnn(Cc3ccccc3)c2)CC1 ZINC000390137145 262137344 /nfs/dbraw/zinc/13/73/44/262137344.db2.gz MOMIMSQWECYLBI-UHFFFAOYSA-N 0 3 280.375 2.715 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 ZINC000364163886 262159966 /nfs/dbraw/zinc/15/99/66/262159966.db2.gz ACYKWVJGUPPCTL-XIRDDKMYSA-N 0 3 286.419 2.803 20 30 CFEDHN CN1C(=O)C[C@@H](NCCCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000192151147 262198947 /nfs/dbraw/zinc/19/89/47/262198947.db2.gz SEZNZTDVPJKPMS-UKRRQHHQSA-N 0 3 291.782 2.505 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000192668976 262208313 /nfs/dbraw/zinc/20/83/13/262208313.db2.gz MWBDWSCDULDIQS-HOCLYGCPSA-N 0 3 297.402 2.985 20 30 CFEDHN CCc1noc(CC)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000192945437 262212587 /nfs/dbraw/zinc/21/25/87/262212587.db2.gz ODFZHENLOZCTQO-RYUDHWBXSA-N 0 3 261.369 2.971 20 30 CFEDHN CC(C)(C#N)CCCCN1CC[C@](O)(C(F)(F)F)C1 ZINC000311293552 262223946 /nfs/dbraw/zinc/22/39/46/262223946.db2.gz JDGAQIATSFZNRW-GFCCVEGCSA-N 0 3 278.318 2.706 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000120626149 262221379 /nfs/dbraw/zinc/22/13/79/262221379.db2.gz SLZWCIOVHHCKGU-ZDUSSCGKSA-N 0 3 268.360 2.793 20 30 CFEDHN C=CC1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000111257675 262258449 /nfs/dbraw/zinc/25/84/49/262258449.db2.gz XAFHCIQUATWEQD-OKILXGFUSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000111256906 262258470 /nfs/dbraw/zinc/25/84/70/262258470.db2.gz DFCSRNFGUMUBOP-UHFFFAOYSA-N 0 3 259.349 2.856 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1CCC1 ZINC000111296494 262260264 /nfs/dbraw/zinc/26/02/64/262260264.db2.gz OBPHNNOVMKVFSE-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 ZINC000364739970 262260905 /nfs/dbraw/zinc/26/09/05/262260905.db2.gz WPFGAYOPNYBHOB-LSDHHAIUSA-N 0 3 288.391 2.540 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(C)cc1Br ZINC000184287869 262276879 /nfs/dbraw/zinc/27/68/79/262276879.db2.gz DRVLZFJSBSXUKH-GFCCVEGCSA-N 0 3 284.197 2.784 20 30 CFEDHN CC#CCN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160722830 262299362 /nfs/dbraw/zinc/29/93/62/262299362.db2.gz LJAGJOHCNJFTNF-YIONKMFJSA-N 0 3 292.423 2.872 20 30 CFEDHN C#CCN(C[C@@H](O)CC(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000188875839 262324165 /nfs/dbraw/zinc/32/41/65/262324165.db2.gz WHSLZOURXPYFHX-DZGCQCFKSA-N 0 3 297.320 2.922 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCC23CCCCC3)CC1 ZINC000365578587 262371234 /nfs/dbraw/zinc/37/12/34/262371234.db2.gz PYXCRSWWEOMUDW-UHFFFAOYSA-N 0 3 291.439 2.755 20 30 CFEDHN CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2ccccn2)c1 ZINC000187242324 262395193 /nfs/dbraw/zinc/39/51/93/262395193.db2.gz NWPBWTRRPFQWCW-OAHLLOKOSA-N 0 3 293.326 2.839 20 30 CFEDHN C=CCCC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000338661020 262554718 /nfs/dbraw/zinc/55/47/18/262554718.db2.gz ALAUQXIXCCHKJY-UHFFFAOYSA-N 0 3 262.353 2.532 20 30 CFEDHN C[C@@H](C#N)CN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000266577234 262917777 /nfs/dbraw/zinc/91/77/77/262917777.db2.gz PKPDVDFKBCRDTP-LBPRGKRZSA-N 0 3 299.374 2.726 20 30 CFEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(-n2cncn2)cc1 ZINC000272044161 263001648 /nfs/dbraw/zinc/00/16/48/263001648.db2.gz RSWJSDBGCMCIRY-ZDUSSCGKSA-N 0 3 283.379 2.858 20 30 CFEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc2c(c1)CC(=O)N2C ZINC000272061480 263001936 /nfs/dbraw/zinc/00/19/36/263001936.db2.gz WUOWNUKNPSQUJE-GFCCVEGCSA-N 0 3 285.391 2.796 20 30 CFEDHN Cc1cc(CN2CCC(C)(C#N)CC2)ccc1-n1cncn1 ZINC000272499863 263005558 /nfs/dbraw/zinc/00/55/58/263005558.db2.gz GNRHZZCXLHRLGB-UHFFFAOYSA-N 0 3 295.390 2.701 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272576344 263007057 /nfs/dbraw/zinc/00/70/57/263007057.db2.gz XDIVMYNHSWPTOQ-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN CCCOc1ccc(CNCCCC#N)cc1OC ZINC000273011436 263010774 /nfs/dbraw/zinc/01/07/74/263010774.db2.gz CBGUVNDJSWXJBV-UHFFFAOYSA-N 0 3 262.353 2.877 20 30 CFEDHN CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(CC#N)cc1 ZINC000273208928 263014064 /nfs/dbraw/zinc/01/40/64/263014064.db2.gz JZKSJQNTINXBEY-GFCCVEGCSA-N 0 3 273.380 2.858 20 30 CFEDHN C[C@@H](NCCCC#N)c1cnn(Cc2ccccc2)c1 ZINC000273311697 263015071 /nfs/dbraw/zinc/01/50/71/263015071.db2.gz WWGJOZLNVQLVAI-CQSZACIVSA-N 0 3 268.364 2.886 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC(C)(C)C#N ZINC000278273497 263046385 /nfs/dbraw/zinc/04/63/85/263046385.db2.gz AZYAELHTXJDTDL-AWEZNQCLSA-N 0 3 287.407 2.563 20 30 CFEDHN N#CCCCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278322055 263046890 /nfs/dbraw/zinc/04/68/90/263046890.db2.gz AHBAKOYSQOKVSZ-CYBMUJFWSA-N 0 3 277.343 2.758 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000452227796 263048613 /nfs/dbraw/zinc/04/86/13/263048613.db2.gz DNALIKXRMIXKDK-QEYWKRMJSA-N 0 3 262.275 2.724 20 30 CFEDHN C[C@@H](NC(=O)CC(C)(C)C#N)[C@@H](c1ccccc1)N(C)C ZINC000278767062 263050967 /nfs/dbraw/zinc/05/09/67/263050967.db2.gz KROVPYNPKXVMFZ-CJNGLKHVSA-N 0 3 287.407 2.734 20 30 CFEDHN CCC[C@H](CC)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279261045 263054163 /nfs/dbraw/zinc/05/41/63/263054163.db2.gz IDPJQVSFOVTYGC-HOTGVXAUSA-N 0 3 283.375 2.935 20 30 CFEDHN CC1(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279292363 263054221 /nfs/dbraw/zinc/05/42/21/263054221.db2.gz COHJBBONFWSZKF-OAHLLOKOSA-N 0 3 281.359 2.547 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279312162 263054539 /nfs/dbraw/zinc/05/45/39/263054539.db2.gz NGNRZIBVZGPPJD-WQVCFCJDSA-N 0 3 281.359 2.545 20 30 CFEDHN CN(CC1CCCC1)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279531309 263055777 /nfs/dbraw/zinc/05/57/77/263055777.db2.gz MOEQKTRGVDPJKU-QGZVFWFLSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1C[C@H](C)CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279683518 263056915 /nfs/dbraw/zinc/05/69/15/263056915.db2.gz FBZMFGURNZQMDO-VBQJREDUSA-N 0 3 295.386 2.745 20 30 CFEDHN CCC[C@@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279698902 263056920 /nfs/dbraw/zinc/05/69/20/263056920.db2.gz JCUDLGORZZTLJC-CJNGLKHVSA-N 0 3 283.375 2.888 20 30 CFEDHN CCN(CCNC(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000280264631 263060088 /nfs/dbraw/zinc/06/00/88/263060088.db2.gz MBJLUCRZJHFERN-UHFFFAOYSA-N 0 3 299.418 2.702 20 30 CFEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000280383337 263060951 /nfs/dbraw/zinc/06/09/51/263060951.db2.gz KAUNZSCZBIOABV-GUYCJALGSA-N 0 3 295.386 2.935 20 30 CFEDHN CC[C@H](C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280399386 263061125 /nfs/dbraw/zinc/06/11/25/263061125.db2.gz KTFKKSWEQSECRF-XJKSGUPXSA-N 0 3 283.375 2.745 20 30 CFEDHN C[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000281456287 263069364 /nfs/dbraw/zinc/06/93/64/263069364.db2.gz FYUJRXQWZMTJAF-CKEIUWERSA-N 0 3 295.386 2.745 20 30 CFEDHN N#CCCCN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282144678 263074671 /nfs/dbraw/zinc/07/46/71/263074671.db2.gz SDMDTDHIRBMAKG-AWEZNQCLSA-N 0 3 272.396 2.703 20 30 CFEDHN COCC[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(C)o1 ZINC000282406868 263076452 /nfs/dbraw/zinc/07/64/52/263076452.db2.gz RYGRWCATTGREFC-IHRRRGAJSA-N 0 3 262.353 2.948 20 30 CFEDHN C=C[C@H](CC(=O)N(C)[C@H]1CN2CCC1CC2)c1ccccc1 ZINC000340155160 263079963 /nfs/dbraw/zinc/07/99/63/263079963.db2.gz JPCLFBJPWAALRQ-QAPCUYQASA-N 0 3 298.430 2.899 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCCCN1CC ZINC000340167357 263082512 /nfs/dbraw/zinc/08/25/12/263082512.db2.gz WVSHFBKREOWYRU-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284797311 263087881 /nfs/dbraw/zinc/08/78/81/263087881.db2.gz PDQPCXTXVZSXJP-QGZVFWFLSA-N 0 3 285.435 2.785 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284723259 263087959 /nfs/dbraw/zinc/08/79/59/263087959.db2.gz JTYNXXWYBFKUFG-SJORKVTESA-N 0 3 286.375 2.732 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)CCCC#N ZINC000291719830 263124997 /nfs/dbraw/zinc/12/49/97/263124997.db2.gz PRUYRKHMCPTAIC-UHFFFAOYSA-N 0 3 287.407 2.791 20 30 CFEDHN CCN(CC)[C@@H](CNC(=O)CCCC#N)c1ccsc1 ZINC000292640954 263133331 /nfs/dbraw/zinc/13/33/31/263133331.db2.gz OSCIADIBKDMEHE-AWEZNQCLSA-N 0 3 293.436 2.941 20 30 CFEDHN N#CCCOCCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000292689227 263133690 /nfs/dbraw/zinc/13/36/90/263133690.db2.gz CJWRUFUJGUYCNO-KBPBESRZSA-N 0 3 294.420 2.566 20 30 CFEDHN C[C@@H]1CCN(CCOCCC#N)[C@H](c2ccco2)C1 ZINC000292841268 263135604 /nfs/dbraw/zinc/13/56/04/263135604.db2.gz PQVDJVHDZJDXBY-KGLIPLIRSA-N 0 3 262.353 2.983 20 30 CFEDHN CC(C)N(CCOCCC#N)Cc1ccc(F)cc1 ZINC000293658312 263146177 /nfs/dbraw/zinc/14/61/77/263146177.db2.gz YMXGXOXMGYXMPY-UHFFFAOYSA-N 0 3 264.344 2.966 20 30 CFEDHN CC[C@@H](NCCOCCC#N)c1ccc(F)cc1F ZINC000293696417 263147375 /nfs/dbraw/zinc/14/73/75/263147375.db2.gz CIOGVEWQAZQMGC-CQSZACIVSA-N 0 3 268.307 2.936 20 30 CFEDHN N#C[C@H]1CCC[C@H](NCc2cccc(N3CCOCC3)c2)C1 ZINC000293763194 263149161 /nfs/dbraw/zinc/14/91/61/263149161.db2.gz RNNYEUCJOTXODM-RDJZCZTQSA-N 0 3 299.418 2.695 20 30 CFEDHN CSc1ccccc1[C@H](C)NCCOCCC#N ZINC000294159794 263156732 /nfs/dbraw/zinc/15/67/32/263156732.db2.gz PGRHBQHGIQOKDQ-LBPRGKRZSA-N 0 3 264.394 2.989 20 30 CFEDHN CC[C@@H](C)N1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000296222872 263187757 /nfs/dbraw/zinc/18/77/57/263187757.db2.gz WFDFYTIYQHQVCG-OAHLLOKOSA-N 0 3 287.407 2.505 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(CO)(c2ccccc2)CC1 ZINC000298367990 263218400 /nfs/dbraw/zinc/21/84/00/263218400.db2.gz NMZPAPKUHFYYNE-HNNXBMFYSA-N 0 3 272.392 2.705 20 30 CFEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000299708452 263253180 /nfs/dbraw/zinc/25/31/80/263253180.db2.gz PVVGSCISOHSYPZ-STQMWFEESA-N 0 3 287.363 2.986 20 30 CFEDHN C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000340662490 263256774 /nfs/dbraw/zinc/25/67/74/263256774.db2.gz PXDWATYNJJXWJM-STQMWFEESA-N 0 3 252.402 2.530 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353626667 263277298 /nfs/dbraw/zinc/27/72/98/263277298.db2.gz YJWMHMDKFPJMEI-HIFRSBDPSA-N 0 3 277.412 2.805 20 30 CFEDHN C=CCOc1ccc(CN[C@@]2(C)CCOC2)cc1OC ZINC000120202626 263283852 /nfs/dbraw/zinc/28/38/52/263283852.db2.gz INFBBJNGVJSCPV-INIZCTEOSA-N 0 3 277.364 2.529 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1cccs1 ZINC000121079856 263289634 /nfs/dbraw/zinc/28/96/34/263289634.db2.gz CSVZMPRYUSQQSE-GFCCVEGCSA-N 0 3 266.410 2.651 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000121185982 263292241 /nfs/dbraw/zinc/29/22/41/263292241.db2.gz XXIUQRIQPUYXKI-NSHDSACASA-N 0 3 290.190 2.851 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc(C(C)C)on2)CC1 ZINC000121633552 263296349 /nfs/dbraw/zinc/29/63/49/263296349.db2.gz BPTPCKRYOCOUIS-UHFFFAOYSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000121613391 263297181 /nfs/dbraw/zinc/29/71/81/263297181.db2.gz QLWADNDNAMELRN-LBPRGKRZSA-N 0 3 270.170 2.600 20 30 CFEDHN C=CC[C@H](C)NCc1c(Br)c(C)nn1C ZINC000122234610 263300148 /nfs/dbraw/zinc/30/01/48/263300148.db2.gz MBVOWCXDINSMAY-QMMMGPOBSA-N 0 3 272.190 2.545 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cccc(CC#N)c1 ZINC000341042119 263318675 /nfs/dbraw/zinc/31/86/75/263318675.db2.gz QOWAJMUDPLOIET-GASCZTMLSA-N 0 3 299.418 2.745 20 30 CFEDHN C=CC[C@H](CO)CNCc1cnc(-c2ccc(C)o2)s1 ZINC000341280199 263329852 /nfs/dbraw/zinc/32/98/52/263329852.db2.gz GTOHVNXYMBWBMV-LBPRGKRZSA-N 0 3 292.404 2.986 20 30 CFEDHN C=CC[C@H](CO)CNCc1ccc(Cl)c(F)c1 ZINC000341277503 263329907 /nfs/dbraw/zinc/32/99/07/263329907.db2.gz BEEXJPKDJMGGRR-NSHDSACASA-N 0 3 257.736 2.753 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000341447970 263336023 /nfs/dbraw/zinc/33/60/23/263336023.db2.gz CNHSIXUZOCTIFY-UONOGXRCSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCC[C@@H](NCCCn1ccnn1)c1ccco1 ZINC000353671433 263358703 /nfs/dbraw/zinc/35/87/03/263358703.db2.gz KJCOALQMZAQASE-CYBMUJFWSA-N 0 3 260.341 2.558 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](Cc1ccccn1)c1cccnc1 ZINC000341878242 263361996 /nfs/dbraw/zinc/36/19/96/263361996.db2.gz MLNYVWXKTCUGNP-YJBOKZPZSA-N 0 3 297.402 2.535 20 30 CFEDHN COCC1(C#N)CCN(Cc2cccc(C)c2)CC1 ZINC000341976576 263368652 /nfs/dbraw/zinc/36/86/52/263368652.db2.gz KTUOQLFWPQCDJC-UHFFFAOYSA-N 0 3 258.365 2.747 20 30 CFEDHN C=CCCC[C@@H](C)N1CCN(c2ccnc(C)n2)CC1 ZINC000353674809 263377345 /nfs/dbraw/zinc/37/73/45/263377345.db2.gz XSYQQACUOSVMOP-CQSZACIVSA-N 0 3 274.412 2.652 20 30 CFEDHN COCCOCc1ccc(CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000342135818 263390821 /nfs/dbraw/zinc/39/08/21/263390821.db2.gz LMDYVVSHKLZIGL-SJORKVTESA-N 0 3 288.391 2.631 20 30 CFEDHN CC(C)(C)OC1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334300213 263570114 /nfs/dbraw/zinc/57/01/14/263570114.db2.gz TUCQMFDEKSTDCM-STQMWFEESA-N 0 3 250.386 2.958 20 30 CFEDHN C=CCCCN(C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415995356 263657416 /nfs/dbraw/zinc/65/74/16/263657416.db2.gz KKVZXCOQIKXANT-UHFFFAOYSA-N 0 3 259.353 2.720 20 30 CFEDHN C#Cc1ccc(NC(=O)N(CCC)[C@@H]2CCN(C)C2)cc1 ZINC000934924933 649855261 /nfs/dbraw/zinc/85/52/61/649855261.db2.gz NKEWTCBNXWVCLI-MRXNPFEDSA-N 0 3 285.391 2.616 20 30 CFEDHN Fc1ccc(C#CCN2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441285999 263784333 /nfs/dbraw/zinc/78/43/33/263784333.db2.gz YXQFUNHYOYNJSD-SJORKVTESA-N 0 3 287.378 2.926 20 30 CFEDHN C#Cc1ccc(NC(=O)NC2CCN(CC(=C)C)CC2)cc1 ZINC000934934911 649858214 /nfs/dbraw/zinc/85/82/14/649858214.db2.gz YFSLQCDBIIEUDS-UHFFFAOYSA-N 0 3 297.402 2.830 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2coc(CCC)n2)CC1 ZINC000330839218 264052308 /nfs/dbraw/zinc/05/23/08/264052308.db2.gz YKXNNLDOBKCHFD-UHFFFAOYSA-N 0 3 291.395 2.972 20 30 CFEDHN CC1CCN(C[C@@H](O)CNC(=O)C2=CCCCC2)CC1 ZINC000330870058 264058800 /nfs/dbraw/zinc/05/88/00/264058800.db2.gz QITFOSLRZYSZPG-HNNXBMFYSA-N 0 3 280.412 2.536 20 30 CFEDHN CCc1noc(C)c1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000330932057 264096300 /nfs/dbraw/zinc/09/63/00/264096300.db2.gz WSSFSBOXHQYTPS-ZWNOBZJWSA-N 0 3 279.384 2.579 20 30 CFEDHN CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1C ZINC000331068966 264112782 /nfs/dbraw/zinc/11/27/82/264112782.db2.gz AYMSIXINEVDQSN-SGMGOOAPSA-N 0 3 292.427 2.950 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000424866555 264240449 /nfs/dbraw/zinc/24/04/49/264240449.db2.gz OUJWUKGTMSBYON-ZDUSSCGKSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076736000 264343078 /nfs/dbraw/zinc/34/30/78/264343078.db2.gz MYWRQNHGZWKBKY-ZDUSSCGKSA-N 0 3 278.371 2.728 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1ccccc1OC ZINC000076736116 264344146 /nfs/dbraw/zinc/34/41/46/264344146.db2.gz RGQZOXVSHHYJEZ-CQSZACIVSA-N 0 3 290.407 2.598 20 30 CFEDHN C[C@H]1CN(Cc2cccc(OCCCC#N)c2)CC[C@@H]1O ZINC000190061264 264344628 /nfs/dbraw/zinc/34/46/28/264344628.db2.gz AOFRQEMXRPRZCB-YOEHRIQHSA-N 0 3 288.391 2.572 20 30 CFEDHN C#CCOc1ccc(CN2CCC[C@@](CC)(CO)C2)cc1 ZINC000190221407 264395854 /nfs/dbraw/zinc/39/58/54/264395854.db2.gz VRTUDVRFQDPVRB-GOSISDBHSA-N 0 3 287.403 2.683 20 30 CFEDHN C[C@H](NCCCC#N)c1ccc(Br)nc1 ZINC000290052304 264750060 /nfs/dbraw/zinc/75/00/60/264750060.db2.gz CBRLYTMLMRMQNZ-VIFPVBQESA-N 0 3 268.158 2.798 20 30 CFEDHN C=CCN1CCC(N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000185210811 265004166 /nfs/dbraw/zinc/00/41/66/265004166.db2.gz YKRNAQZTYCLGDS-KRWDZBQOSA-N 0 3 296.418 2.739 20 30 CFEDHN C=CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000096704095 265381700 /nfs/dbraw/zinc/38/17/00/265381700.db2.gz BVTUXMOEABGGKQ-MRXNPFEDSA-N 0 3 287.407 2.617 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(OCCOC)c(OC)c1 ZINC000353161951 266035591 /nfs/dbraw/zinc/03/55/91/266035591.db2.gz GCSUMDHIAURXOF-UHFFFAOYSA-N 0 3 279.380 2.728 20 30 CFEDHN CCC[C@@H](C)N1CCN(c2ccccc2C#N)CC1 ZINC000187455120 266067459 /nfs/dbraw/zinc/06/74/59/266067459.db2.gz NGNQHZHUBQEGQB-CQSZACIVSA-N 0 3 257.381 2.869 20 30 CFEDHN CCN1C[C@H](C)N(Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000346230418 266159877 /nfs/dbraw/zinc/15/98/77/266159877.db2.gz FUOIFFLNCYUCAJ-OLZOCXBDSA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357019732 266234031 /nfs/dbraw/zinc/23/40/31/266234031.db2.gz CTKWYXPXFVFRMF-UHFFFAOYSA-N 0 3 257.333 2.733 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000357158197 266257069 /nfs/dbraw/zinc/25/70/69/266257069.db2.gz FZXXWTUEQBKNAT-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)CCC#N)cc1)C1CC1 ZINC000357439337 266295682 /nfs/dbraw/zinc/29/56/82/266295682.db2.gz FPOLTAZYTPJYRO-UHFFFAOYSA-N 0 3 285.391 2.657 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114494175 266308232 /nfs/dbraw/zinc/30/82/32/266308232.db2.gz PCPUJEJFGIHCEC-KRWDZBQOSA-N 0 3 289.423 2.571 20 30 CFEDHN C=CCN1CCC(NC(=O)N2[C@H](C)CC[C@@H]2CC)CC1 ZINC000357587960 266332012 /nfs/dbraw/zinc/33/20/12/266332012.db2.gz KQRNUHOQJHDVGS-HIFRSBDPSA-N 0 3 279.428 2.609 20 30 CFEDHN Cn1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000357793470 266363379 /nfs/dbraw/zinc/36/33/79/266363379.db2.gz HQDMRYMTGVQOBW-NSHDSACASA-N 0 3 293.248 2.929 20 30 CFEDHN CCN(CC)Cc1cccc(NC(=O)[C@H](C)C#N)c1 ZINC000357807262 266369094 /nfs/dbraw/zinc/36/90/94/266369094.db2.gz BVYLCSJYAQSPSW-GFCCVEGCSA-N 0 3 259.353 2.627 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(CC(C)C)CCC2)CC1 ZINC000362535832 267003045 /nfs/dbraw/zinc/00/30/45/267003045.db2.gz WEQWZKJOMCLNGT-UHFFFAOYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc2ncsc2c1 ZINC000362574849 267008906 /nfs/dbraw/zinc/00/89/06/267008906.db2.gz IATLNWGNHHDKRA-MNOVXSKESA-N 0 3 289.404 2.638 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(CC)(CC)CC1 ZINC000362605933 267020189 /nfs/dbraw/zinc/02/01/89/267020189.db2.gz JPVRVGSWVCRUGJ-HNNXBMFYSA-N 0 3 293.455 2.897 20 30 CFEDHN CCCO[C@@H]1CCCN(Cc2ccc(C#N)cn2)CC1 ZINC000514871268 267027018 /nfs/dbraw/zinc/02/70/18/267027018.db2.gz RYFUPGITZICIED-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1ccc(F)cc1 ZINC000367608831 267104882 /nfs/dbraw/zinc/10/48/82/267104882.db2.gz ZZCYMCFKZBRRPU-GCDKYVQMSA-N 0 3 285.362 2.532 20 30 CFEDHN C#Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000368015235 267134895 /nfs/dbraw/zinc/13/48/95/267134895.db2.gz CGJCWCZWMNGBKQ-SFHVURJKSA-N 0 3 269.388 2.916 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000399673727 267138940 /nfs/dbraw/zinc/13/89/40/267138940.db2.gz OYSAOQOJBVRCCB-AAVRWANBSA-N 0 3 285.391 2.862 20 30 CFEDHN CC1(C)CN(CCCSCC#N)[C@@H]1[C@H]1CCCO1 ZINC000368055151 267143204 /nfs/dbraw/zinc/14/32/04/267143204.db2.gz HGTPHJXCRUFBNO-CHWSQXEVSA-N 0 3 268.426 2.523 20 30 CFEDHN C=CCOc1cccc(CN2CCOCC[C@H]2C)c1 ZINC000368142883 267148533 /nfs/dbraw/zinc/14/85/33/267148533.db2.gz NJLTUUKOXAOIDH-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCC[C@H](O)CN1CCc2scc(C)c2C1 ZINC000368469034 267175352 /nfs/dbraw/zinc/17/53/52/267175352.db2.gz CYJYSRBHYVHWLT-LBPRGKRZSA-N 0 3 251.395 2.742 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000116958215 267195094 /nfs/dbraw/zinc/19/50/94/267195094.db2.gz LGGQZKYUOJMQLU-HUUCEWRRSA-N 0 3 289.423 2.771 20 30 CFEDHN CCc1nc([C@H]2CCCN(CCCCC#N)C2)no1 ZINC000369246411 267229070 /nfs/dbraw/zinc/22/90/70/267229070.db2.gz XHIKJHCOGQVQAR-LBPRGKRZSA-N 0 3 262.357 2.505 20 30 CFEDHN Cc1cc(N[C@H](C)CN(C)Cc2ccccc2)c(C#N)cn1 ZINC000399754124 267301946 /nfs/dbraw/zinc/30/19/46/267301946.db2.gz VWDIEDNGQDHZBO-OAHLLOKOSA-N 0 3 294.402 2.616 20 30 CFEDHN CC(C)C[C@H]1CCCN([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000119228594 267312401 /nfs/dbraw/zinc/31/24/01/267312401.db2.gz GBXSBXUPYVTSHE-LSDHHAIUSA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Sc2ccccn2)CC1 ZINC000370495835 267323588 /nfs/dbraw/zinc/32/35/88/267323588.db2.gz FTGNMABMXBTJCN-AWEZNQCLSA-N 0 3 292.448 2.965 20 30 CFEDHN COc1ccc(C[C@@H](C)NCC2(C#N)CCC2)cc1OC ZINC000418144887 267365969 /nfs/dbraw/zinc/36/59/69/267365969.db2.gz VLFXWEYTONHCDV-CYBMUJFWSA-N 0 3 288.391 2.918 20 30 CFEDHN COc1cccc([C@@H]2[C@H](NCCCC#N)CCN2C2CC2)c1 ZINC000374847296 267816999 /nfs/dbraw/zinc/81/69/99/267816999.db2.gz UOXCDABAWUGNLT-QZTJIDSGSA-N 0 3 299.418 2.866 20 30 CFEDHN CC[C@@H]1CN(CC(C)(C)CCC#N)C[C@]2(CCCOC2)O1 ZINC000376030551 267931862 /nfs/dbraw/zinc/93/18/62/267931862.db2.gz SLAHTXGBBFOLQM-WBVHZDCISA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000123374930 268039394 /nfs/dbraw/zinc/03/93/94/268039394.db2.gz JBYCUKWRFJPSEO-KBPBESRZSA-N 0 3 277.412 2.544 20 30 CFEDHN N#Cc1ccc(C2(NCc3cc[nH]c3)CCOCC2)cc1 ZINC000527809903 268212067 /nfs/dbraw/zinc/21/20/67/268212067.db2.gz HKLPTJXJMKMXMI-UHFFFAOYSA-N 0 3 281.359 2.682 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCN2C2CCCC2)c(F)c1 ZINC000527805897 268233776 /nfs/dbraw/zinc/23/37/76/268233776.db2.gz IWFMGFJWXAJFSL-MRXNPFEDSA-N 0 3 287.382 2.804 20 30 CFEDHN N#Cc1ccc([C@H](NC[C@H]2CCC[C@H]2C2CC2)C(N)=O)cc1 ZINC000516917101 268263483 /nfs/dbraw/zinc/26/34/83/268263483.db2.gz RCMXZBZJINIOQB-IKGGRYGDSA-N 0 3 297.402 2.501 20 30 CFEDHN CC(C)CN1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301632431 273513430 /nfs/dbraw/zinc/51/34/30/273513430.db2.gz JOMHYQPZLQDRJJ-UHFFFAOYSA-N 0 3 294.402 2.884 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419247780 273727065 /nfs/dbraw/zinc/72/70/65/273727065.db2.gz XFKTXFVZRQJFFA-DJIMGWMZSA-N 0 3 299.418 2.891 20 30 CFEDHN C[C@@H](Cn1cccn1)NCC#Cc1cccc(Cl)c1 ZINC000269477596 274232229 /nfs/dbraw/zinc/23/22/29/274232229.db2.gz NJONMEJBMCIJMB-ZDUSSCGKSA-N 0 3 273.767 2.566 20 30 CFEDHN C[C@@H](N(C)Cc1cnc2ccc(C#N)cn12)C1(C)CC1 ZINC000091900488 274234078 /nfs/dbraw/zinc/23/40/78/274234078.db2.gz JBCVMZGYJOXLCN-GFCCVEGCSA-N 0 3 268.364 2.826 20 30 CFEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc(C#N)cc1Cl ZINC000286417268 274387478 /nfs/dbraw/zinc/38/74/78/274387478.db2.gz QTCKJXKDCYDKOD-DGCLKSJQSA-N 0 3 290.798 2.670 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)c1cnccn1 ZINC000285268873 275385273 /nfs/dbraw/zinc/38/52/73/275385273.db2.gz YBZIARZJGXNGIW-GDBMZVCRSA-N 0 3 265.360 2.762 20 30 CFEDHN C=C(Br)CN[C@]1(C)CCCC[C@H]1C(=O)OC ZINC000270450630 275737488 /nfs/dbraw/zinc/73/74/88/275737488.db2.gz MYFHTBWHODKFDZ-CMPLNLGQSA-N 0 3 290.201 2.607 20 30 CFEDHN C#CCCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000179874233 276775693 /nfs/dbraw/zinc/77/56/93/276775693.db2.gz BGWGHAIPBJKEGN-KRWDZBQOSA-N 0 3 286.419 2.908 20 30 CFEDHN CN(C)C[C@H]1CN(CCC(C)(C)C#N)c2ccccc2O1 ZINC000367008296 276806570 /nfs/dbraw/zinc/80/65/70/276806570.db2.gz XMSXCCUMPMPASF-AWEZNQCLSA-N 0 3 287.407 2.755 20 30 CFEDHN COC(=O)[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)[C@@H]1C ZINC000346673466 277092308 /nfs/dbraw/zinc/09/23/08/277092308.db2.gz VACAKYDNISFZDK-LALPHHSUSA-N 0 3 272.348 2.503 20 30 CFEDHN CN1CC[C@H]2CCN(c3c(Cl)cccc3C#N)C[C@H]21 ZINC000375036767 277178036 /nfs/dbraw/zinc/17/80/36/277178036.db2.gz HOGIXXVRIRTHKD-SMDDNHRTSA-N 0 3 275.783 2.742 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491318791 277435145 /nfs/dbraw/zinc/43/51/45/277435145.db2.gz GSNJMCNVTSPCEX-IBSYWUHOSA-N 0 3 299.418 2.664 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000161227665 277841081 /nfs/dbraw/zinc/84/10/81/277841081.db2.gz JLXWPTBNKUFXAG-ZDUSSCGKSA-N 0 3 293.436 2.712 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000351273680 278226378 /nfs/dbraw/zinc/22/63/78/278226378.db2.gz WPZQMYZGURTLFW-GOEBONIOSA-N 0 3 280.412 2.729 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000189342687 278309621 /nfs/dbraw/zinc/30/96/21/278309621.db2.gz QTZVAZAUQYBCCM-ZBFHGGJFSA-N 0 3 295.390 2.623 20 30 CFEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H](O)C(F)F ZINC000296233562 288060866 /nfs/dbraw/zinc/06/08/66/288060866.db2.gz CDURDVPWUCVTKL-XDTLVQLUSA-N 0 3 268.307 2.613 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)/C=C\c1cccc(C#N)c1 ZINC000491321921 278968833 /nfs/dbraw/zinc/96/88/33/278968833.db2.gz RJOLNNWRCAOQJD-JJEJIETFSA-N 0 3 299.418 2.664 20 30 CFEDHN CCN(CCCC#N)[C@@H](COC)Cc1ccccc1 ZINC000350509722 279176956 /nfs/dbraw/zinc/17/69/56/279176956.db2.gz GJZPGDFMZRZTAL-MRXNPFEDSA-N 0 3 260.381 2.870 20 30 CFEDHN CC(C#N)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000335771499 279180882 /nfs/dbraw/zinc/18/08/82/279180882.db2.gz YMJBULAOBFDQGG-CJNGLKHVSA-N 0 3 279.343 2.579 20 30 CFEDHN CCN(CCN1CCCCCC1)c1ncccc1C#N ZINC000343781344 279189086 /nfs/dbraw/zinc/18/90/86/279189086.db2.gz ANFXGJDGUPGZTK-UHFFFAOYSA-N 0 3 272.396 2.656 20 30 CFEDHN C[C@H](N[C@@H]1CCO[C@@H]1C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000330232948 279515214 /nfs/dbraw/zinc/51/52/14/279515214.db2.gz FSLKKXLBLGOXQE-XWSJDDSLSA-N 0 3 282.428 2.923 20 30 CFEDHN N#Cc1ccc(N[C@H](CN2CCCC2)c2ccccc2)nn1 ZINC000301844804 279525026 /nfs/dbraw/zinc/52/50/26/279525026.db2.gz SOXVXVQXYHRGDY-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN C[C@]1(NCC#Cc2ccc(F)cc2)CCO[C@@H]1C1CC1 ZINC000273027565 280167529 /nfs/dbraw/zinc/16/75/29/280167529.db2.gz FRFWTUGNEQIYML-SJORKVTESA-N 0 3 273.351 2.724 20 30 CFEDHN Cc1ccc(C#N)c(N2CCC[C@H](N3CCCCC3)C2)n1 ZINC000376187968 280757667 /nfs/dbraw/zinc/75/76/67/280757667.db2.gz OBHDPRHHOKIPIR-INIZCTEOSA-N 0 3 284.407 2.716 20 30 CFEDHN COc1cc(C#N)ccc1CN(C(C)C)[C@H]1CCOC1 ZINC000361407871 281186321 /nfs/dbraw/zinc/18/63/21/281186321.db2.gz ICERGDZFWMDTAX-HNNXBMFYSA-N 0 3 274.364 2.566 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CC(N)=O)C2CCCCC2)s1 ZINC000561814777 282061769 /nfs/dbraw/zinc/06/17/69/282061769.db2.gz JAMODOYPHIXWLU-AWEZNQCLSA-N 0 3 291.420 2.534 20 30 CFEDHN CCN(CC)Cc1cccc(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000156741259 289944168 /nfs/dbraw/zinc/94/41/68/289944168.db2.gz FSQQGRXXTPIGTC-UHFFFAOYSA-N 0 3 296.374 2.980 20 30 CFEDHN CC(C)(C)C[C@H](O)CNCc1cc(C#N)cs1 ZINC000177703155 527703292 /nfs/dbraw/zinc/70/32/92/527703292.db2.gz HTZSAZLAYDGWSG-NSHDSACASA-N 0 3 252.383 2.506 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085467497 782066549 /nfs/dbraw/zinc/06/65/49/782066549.db2.gz USVQJFFNZWZMQY-HNNXBMFYSA-N 0 3 276.355 2.548 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)N1CCC(CC#N)CC1 ZINC000570774064 327618105 /nfs/dbraw/zinc/61/81/05/327618105.db2.gz TUZXYUJAGPQKNO-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN CC1(C#N)CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000338287382 327975281 /nfs/dbraw/zinc/97/52/81/327975281.db2.gz ILEMWFNIVSDNLV-CQSZACIVSA-N 0 3 266.385 2.545 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cccs2)CC1 ZINC000106039554 327991430 /nfs/dbraw/zinc/99/14/30/327991430.db2.gz XASAKKZKZYZZFS-AATRIKPKSA-N 0 3 290.432 2.918 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125615739 328000040 /nfs/dbraw/zinc/00/00/40/328000040.db2.gz VFVODUDMSNZKRT-LBPRGKRZSA-N 0 3 264.325 2.838 20 30 CFEDHN Cc1ccc(CNC(=O)C(C#N)CCc2ccccc2)cn1 ZINC000339261023 328003854 /nfs/dbraw/zinc/00/38/54/328003854.db2.gz QKMJACSEUSCMTF-QGZVFWFLSA-N 0 3 293.370 2.779 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000531587389 328016603 /nfs/dbraw/zinc/01/66/03/328016603.db2.gz CXXAEBWATJSUKZ-OWCLPIDISA-N 0 3 293.455 2.895 20 30 CFEDHN CC1CC(C#N)(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC000531554894 328017218 /nfs/dbraw/zinc/01/72/18/328017218.db2.gz IQTHCPTUALKYCY-TUBUQKNSSA-N 0 3 291.439 2.553 20 30 CFEDHN CC#CCCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412247979 328106333 /nfs/dbraw/zinc/10/63/33/328106333.db2.gz KHWWHZDFKVQVAR-UHFFFAOYSA-N 0 3 284.403 2.816 20 30 CFEDHN C=CCN1CCC(NC(=O)NC(C)(C)CCC)CC1 ZINC000172185665 329081088 /nfs/dbraw/zinc/08/10/88/329081088.db2.gz LSZBVTNDDRQPDZ-UHFFFAOYSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cncc(Br)c1 ZINC000571582602 328135293 /nfs/dbraw/zinc/13/52/93/328135293.db2.gz VGHILDFAQFLVQA-MFKMUULPSA-N 0 3 299.212 2.822 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(C3(C#N)CCC3)n2)cc1 ZINC000267146558 328173253 /nfs/dbraw/zinc/17/32/53/328173253.db2.gz ZAANBTOQOXEYSV-UHFFFAOYSA-N 0 3 282.347 2.743 20 30 CFEDHN C[C@@H](NCc1ccc(N(C)CCC#N)cc1)c1cn[nH]c1 ZINC000270257966 328192750 /nfs/dbraw/zinc/19/27/50/328192750.db2.gz VLZSDDUOOAWRGY-CYBMUJFWSA-N 0 3 283.379 2.610 20 30 CFEDHN CC(C)CCN(CCC#N)CCN1CCCCC1 ZINC000173547472 329148680 /nfs/dbraw/zinc/14/86/80/329148680.db2.gz RRNWHNRTRBVHBL-UHFFFAOYSA-N 0 3 251.418 2.734 20 30 CFEDHN N#CCSCCCNC1(c2cccc(C#N)c2)CC1 ZINC000271862091 328198378 /nfs/dbraw/zinc/19/83/78/328198378.db2.gz ZRNPHULZGZUCSL-UHFFFAOYSA-N 0 3 271.389 2.784 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274229882 328209912 /nfs/dbraw/zinc/20/99/12/328209912.db2.gz SCQZJXOBPWEJHW-XEZPLFJOSA-N 0 3 297.402 2.938 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274229878 328210047 /nfs/dbraw/zinc/21/00/47/328210047.db2.gz SCQZJXOBPWEJHW-WOSRLPQWSA-N 0 3 297.402 2.938 20 30 CFEDHN CCN(Cc1ccc2c(c1)OCO2)[C@H](C)CCC#N ZINC000276361186 328218132 /nfs/dbraw/zinc/21/81/32/328218132.db2.gz YTQHYWORHGUSCW-GFCCVEGCSA-N 0 3 260.337 2.929 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000278519854 328226146 /nfs/dbraw/zinc/22/61/46/328226146.db2.gz SFUBPZVUBMYWHR-BMFZPTHFSA-N 0 3 258.365 2.700 20 30 CFEDHN CC[C@@H]1CN(c2ccccc2)CCN1CCCC#N ZINC000184013371 329252262 /nfs/dbraw/zinc/25/22/62/329252262.db2.gz FDNPVQMWLXCFLP-OAHLLOKOSA-N 0 3 257.381 2.891 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)CCCC#N)N(C)C)cc1 ZINC000290987757 328261522 /nfs/dbraw/zinc/26/15/22/328261522.db2.gz RFZOEMFNSKCJKC-MRXNPFEDSA-N 0 3 287.407 2.662 20 30 CFEDHN CSc1ccc([C@@H](C)NCCOCCC#N)cc1 ZINC000293983426 328278795 /nfs/dbraw/zinc/27/87/95/328278795.db2.gz DZCQLWOVJGYKNF-GFCCVEGCSA-N 0 3 264.394 2.989 20 30 CFEDHN CS[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000296262834 328289855 /nfs/dbraw/zinc/28/98/55/328289855.db2.gz LXDYCNJLYWSQIC-AWEZNQCLSA-N 0 3 262.378 2.526 20 30 CFEDHN C=C(C)COc1cc(CN[C@@H](C)CCO)ccc1OC ZINC000119659505 328307516 /nfs/dbraw/zinc/30/75/16/328307516.db2.gz KBNFUDQOBCHJLH-ZDUSSCGKSA-N 0 3 279.380 2.511 20 30 CFEDHN COC[C@@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000162742747 322368138 /nfs/dbraw/zinc/36/81/38/322368138.db2.gz LLFDPFXBKFRJCV-CQSZACIVSA-N 0 3 266.772 2.972 20 30 CFEDHN C=C[C@H](CC(=O)NC[C@H](C)N1CCCC1)c1ccccc1 ZINC000534799571 328362105 /nfs/dbraw/zinc/36/21/05/328362105.db2.gz CSHNCIZYEXVDMW-JKSUJKDBSA-N 0 3 286.419 2.947 20 30 CFEDHN C=C(CC)CN[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000341007159 328403124 /nfs/dbraw/zinc/40/31/24/328403124.db2.gz CHZRHHDLDIPTJC-GOSISDBHSA-N 0 3 288.435 2.924 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(C2CC2)nc2sccn12 ZINC000341266371 328405824 /nfs/dbraw/zinc/40/58/24/328405824.db2.gz IKZQBUVNEXFHAK-LLVKDONJSA-N 0 3 291.420 2.547 20 30 CFEDHN CC(C)c1noc(CCCNCc2ccc(C#N)s2)n1 ZINC000176961523 323687220 /nfs/dbraw/zinc/68/72/20/323687220.db2.gz OTJNKJTVBNTYIM-UHFFFAOYSA-N 0 3 290.392 2.849 20 30 CFEDHN C=CC[C@H](CC)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415897264 328430269 /nfs/dbraw/zinc/43/02/69/328430269.db2.gz PIJXOYSTBYXHLK-AWEZNQCLSA-N 0 3 273.380 2.809 20 30 CFEDHN C[C@@H](CN(C)C)NC(=O)c1coc(C2CCCCC2)n1 ZINC000330688662 328467438 /nfs/dbraw/zinc/46/74/38/328467438.db2.gz XEOADMLSNSCUEZ-NSHDSACASA-N 0 3 279.384 2.977 20 30 CFEDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(C#N)cc1F ZINC000577876099 324792138 /nfs/dbraw/zinc/79/21/38/324792138.db2.gz LZUBHDPMFXJZBW-ABAIWWIYSA-N 0 3 264.344 2.584 20 30 CFEDHN COC(=O)c1cccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c1C#N ZINC000580044622 325001519 /nfs/dbraw/zinc/00/15/19/325001519.db2.gz BMJMASIFULSGOQ-WPGHFRTFSA-N 0 3 284.359 2.623 20 30 CFEDHN CN(CCSc1cc(C#N)ncn1)Cc1ccccc1 ZINC000580271083 325020026 /nfs/dbraw/zinc/02/00/26/325020026.db2.gz CPZCTVHYFRNGRG-UHFFFAOYSA-N 0 3 284.388 2.572 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000581014443 325082724 /nfs/dbraw/zinc/08/27/24/325082724.db2.gz WCFNGLPTUUTANQ-ZFWWWQNUSA-N 0 3 289.335 2.514 20 30 CFEDHN CC(C)(C)OCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000582211033 325185873 /nfs/dbraw/zinc/18/58/73/325185873.db2.gz STJRFYHKSMASTF-HNNXBMFYSA-N 0 3 258.365 2.950 20 30 CFEDHN C[C@H]1CCCC[C@@H]1CN1CCN(c2cnccc2C#N)CC1 ZINC000583061252 325257151 /nfs/dbraw/zinc/25/71/51/325257151.db2.gz QIWXDXBWZNRNKT-DOTOQJQBSA-N 0 3 298.434 2.902 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC[C@H]2CCN(C3CC3)C2)c1 ZINC000583289483 325275022 /nfs/dbraw/zinc/27/50/22/325275022.db2.gz BVSZLUMLUUXPNM-CYBMUJFWSA-N 0 3 283.375 2.657 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000583289484 325275211 /nfs/dbraw/zinc/27/52/11/325275211.db2.gz BVSZLUMLUUXPNM-ZDUSSCGKSA-N 0 3 283.375 2.657 20 30 CFEDHN CCOC[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000583875841 325316400 /nfs/dbraw/zinc/31/64/00/325316400.db2.gz WCRRBFZYLNBXQM-AWEZNQCLSA-N 0 3 291.351 2.617 20 30 CFEDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000037319760 326845243 /nfs/dbraw/zinc/84/52/43/326845243.db2.gz IYBNUCGWDRATPW-KBPBESRZSA-N 0 3 284.363 2.525 20 30 CFEDHN C[C@@H](NC(=O)C1(C#N)CC(C)C1)[C@H](c1ccccc1)N(C)C ZINC000557772153 327026328 /nfs/dbraw/zinc/02/63/28/327026328.db2.gz NHRLNMOPCRBGOH-DYDBFVOFSA-N 0 3 299.418 2.734 20 30 CFEDHN COCC1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343551534 327033080 /nfs/dbraw/zinc/03/30/80/327033080.db2.gz MUJHAQCKUOTXDU-UHFFFAOYSA-N 0 3 258.365 2.611 20 30 CFEDHN CCN(CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000076673654 327130283 /nfs/dbraw/zinc/13/02/83/327130283.db2.gz QKAXHIAITRPAIB-HNNXBMFYSA-N 0 3 287.407 2.972 20 30 CFEDHN N#CCSCCCN1CCC(Nc2ccccn2)CC1 ZINC000536368275 327232473 /nfs/dbraw/zinc/23/24/73/327232473.db2.gz CXNJVQYFFAWHDP-UHFFFAOYSA-N 0 3 290.436 2.605 20 30 CFEDHN COC(=O)CCC[C@@H]1CCC[C@H](NC[C@@H](C)C#N)C1 ZINC000560496798 327315270 /nfs/dbraw/zinc/31/52/70/327315270.db2.gz KIGCWIIQKROAAP-IHRRRGAJSA-N 0 3 266.385 2.638 20 30 CFEDHN COc1ccc(CN(C(=O)C(C)C#N)[C@H](C)C2CC2)cc1 ZINC000566453552 327374208 /nfs/dbraw/zinc/37/42/08/327374208.db2.gz ZEAIEQPKLCWPMM-CHWSQXEVSA-N 0 3 286.375 2.982 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccccc2)nc1 ZINC000562523657 327487411 /nfs/dbraw/zinc/48/74/11/327487411.db2.gz WSFUGFYYAOFOIW-INIZCTEOSA-N 0 3 283.375 2.560 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000103054075 328762440 /nfs/dbraw/zinc/76/24/40/328762440.db2.gz HTCDMPXTYZDSAP-SJORKVTESA-N 0 3 290.451 2.663 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2C[C@H](CO)c3ccccc32)cc1 ZINC000377629306 329021841 /nfs/dbraw/zinc/02/18/41/329021841.db2.gz RGNOETJPNOWLAZ-VQIMIIECSA-N 0 3 277.367 2.978 20 30 CFEDHN C#C[C@H](NCc1cccc(-c2cnn(C)c2)c1)C(C)C ZINC000377702828 329025717 /nfs/dbraw/zinc/02/57/17/329025717.db2.gz POXJJYBDWXMDEN-KRWDZBQOSA-N 0 3 267.376 2.835 20 30 CFEDHN C=CCN1CCC(NC(=O)CCc2ccccc2C)CC1 ZINC000171716187 329078842 /nfs/dbraw/zinc/07/88/42/329078842.db2.gz YZFULCBCXXCONM-UHFFFAOYSA-N 0 3 286.419 2.694 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000171725166 329079331 /nfs/dbraw/zinc/07/93/31/329079331.db2.gz RXGRJRDRTGQYQW-GJZGRUSLSA-N 0 3 293.455 2.762 20 30 CFEDHN C=C(C)CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175317595 329164574 /nfs/dbraw/zinc/16/45/74/329164574.db2.gz CRLCNFQWDIQAAU-UHFFFAOYSA-N 0 3 286.419 2.899 20 30 CFEDHN C#CCSCCNCc1c[nH]c(-c2ccccc2)n1 ZINC000175998244 329170830 /nfs/dbraw/zinc/17/08/30/329170830.db2.gz UPYIDSONFHQHDF-UHFFFAOYSA-N 0 3 271.389 2.533 20 30 CFEDHN C#CCSCCNCc1cnc(-c2ccccc2)[nH]1 ZINC000175998244 329170832 /nfs/dbraw/zinc/17/08/32/329170832.db2.gz UPYIDSONFHQHDF-UHFFFAOYSA-N 0 3 271.389 2.533 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)C2(C)CC2)CC1 ZINC000176499253 329175352 /nfs/dbraw/zinc/17/53/52/329175352.db2.gz BMLKWNYSRPJTDZ-AWEZNQCLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(CC)CCCC2)CC1 ZINC000177994615 329190967 /nfs/dbraw/zinc/19/09/67/329190967.db2.gz FDQXONMCDPZKLS-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN CN1CCN(CCCSCC#N)C2(CCCCC2)C1 ZINC000178401350 329199591 /nfs/dbraw/zinc/19/95/91/329199591.db2.gz STDFYIWVLXEJMP-UHFFFAOYSA-N 0 3 281.469 2.584 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000321135016 329263889 /nfs/dbraw/zinc/26/38/89/329263889.db2.gz SGBOBXKRPVXOLH-OCCSQVGLSA-N 0 3 278.352 2.881 20 30 CFEDHN N#C[C@@H]1CCC[C@H](NCc2ccccc2N2CCOCC2)C1 ZINC000185799673 329332154 /nfs/dbraw/zinc/33/21/54/329332154.db2.gz GUXVOJJACXTZCP-WBVHZDCISA-N 0 3 299.418 2.695 20 30 CFEDHN COc1ccc(CN2CCC(CC#N)CC2)cc1OC ZINC000397279839 329347891 /nfs/dbraw/zinc/34/78/91/329347891.db2.gz MOHLBUMLWZMTFA-UHFFFAOYSA-N 0 3 274.364 2.829 20 30 CFEDHN C=C(C)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186920728 329350186 /nfs/dbraw/zinc/35/01/86/329350186.db2.gz LANKTSUNYZFZPT-UHFFFAOYSA-N 0 3 263.356 2.771 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1 ZINC000321451760 329357132 /nfs/dbraw/zinc/35/71/32/329357132.db2.gz OCTMAFXVGVQDTP-YGRLFVJLSA-N 0 3 255.308 2.943 20 30 CFEDHN C[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N1CCCC1 ZINC000530368855 329363149 /nfs/dbraw/zinc/36/31/49/329363149.db2.gz PQZSAUKFBHZKRK-DOTOQJQBSA-N 0 3 299.418 2.674 20 30 CFEDHN C[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N1CCCC1 ZINC000530368860 329363164 /nfs/dbraw/zinc/36/31/64/329363164.db2.gz PQZSAUKFBHZKRK-RDJZCZTQSA-N 0 3 299.418 2.674 20 30 CFEDHN CCCCCCCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188265367 329367307 /nfs/dbraw/zinc/36/73/07/329367307.db2.gz HDMADUGXYSUBFI-QWHCGFSZSA-N 0 3 258.381 2.553 20 30 CFEDHN C=CCC1(C(=O)N[C@@H](CC(C)C)CN(C)C)CCC1 ZINC000190415608 329396385 /nfs/dbraw/zinc/39/63/85/329396385.db2.gz WXGLXMLUJVNTFR-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCOc1ccc(CN[C@H]2COC(C)(C)C2)cc1 ZINC000396658301 329695885 /nfs/dbraw/zinc/69/58/85/329695885.db2.gz NVPHBORQCWRTEJ-CQSZACIVSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCN1CC[C@H](NC(C)(C)Cc2ccc(C)cc2)C1=O ZINC000419335612 329717812 /nfs/dbraw/zinc/71/78/12/329717812.db2.gz ONSWTHIQAOQZHV-INIZCTEOSA-N 0 3 286.419 2.693 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(Oc2cnccn2)cc1 ZINC000571987186 329935016 /nfs/dbraw/zinc/93/50/16/329935016.db2.gz HTWUYEMWESEMNM-CVEARBPZSA-N 0 3 297.358 2.702 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](O)CNCC#Cc1cccc(F)c1 ZINC000572394618 330057612 /nfs/dbraw/zinc/05/76/12/330057612.db2.gz MHMWRTYCPFGYIG-KXBFYZLASA-N 0 3 297.373 2.931 20 30 CFEDHN C=CCc1cc(CN2CC[C@@H](COC)C2)cc(OC)c1O ZINC000271195686 330078034 /nfs/dbraw/zinc/07/80/34/330078034.db2.gz RDGNVPSFGYBBDX-CYBMUJFWSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@]12C[C@@H]1CCC2)C(C)C ZINC000421774773 330081866 /nfs/dbraw/zinc/08/18/66/330081866.db2.gz VFSQLERERRUWMM-JZXOWHBKSA-N 0 3 290.451 2.991 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)Cc1ccc(F)cc1Cl ZINC000421863549 330098548 /nfs/dbraw/zinc/09/85/48/330098548.db2.gz YRUOIFPGMGVCTQ-SKDRFNHKSA-N 0 3 257.736 2.547 20 30 CFEDHN C=CC[C@@H](C)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423217910 330178948 /nfs/dbraw/zinc/17/89/48/330178948.db2.gz SRJBLYKPESMFGR-OCCSQVGLSA-N 0 3 260.381 2.793 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NC[C@@H]2NCCc3ccccc32)C1 ZINC000423415635 330197691 /nfs/dbraw/zinc/19/76/91/330197691.db2.gz DYSNKXBGYJEIJV-UNEWFSDZSA-N 0 3 269.392 2.545 20 30 CFEDHN CC(C)[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccccc1 ZINC000424064408 330219135 /nfs/dbraw/zinc/21/91/35/330219135.db2.gz JWPOBPPOBRTIDF-LSDHHAIUSA-N 0 3 273.380 2.521 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000424069389 330219833 /nfs/dbraw/zinc/21/98/33/330219833.db2.gz PNDFTVJRRSFDEZ-CABCVRRESA-N 0 3 289.354 2.510 20 30 CFEDHN CC[C@@H](NC(=O)[C@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424083315 330222254 /nfs/dbraw/zinc/22/22/54/330222254.db2.gz AVXFFEUTFFBXFK-ZIAGYGMSSA-N 0 3 293.798 2.928 20 30 CFEDHN Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424087014 330223751 /nfs/dbraw/zinc/22/37/51/330223751.db2.gz CZVAWUWFWWZUBL-JSGCOSHPSA-N 0 3 299.374 2.940 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000424089297 330224334 /nfs/dbraw/zinc/22/43/34/330224334.db2.gz KTGZOXSPOULWDQ-DLBZAZTESA-N 0 3 299.418 2.631 20 30 CFEDHN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](N)CCCC#N ZINC000424090311 330225114 /nfs/dbraw/zinc/22/51/14/330225114.db2.gz MHCQWIOYIAJAJA-AWEZNQCLSA-N 0 3 293.798 2.710 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000424093084 330226242 /nfs/dbraw/zinc/22/62/42/330226242.db2.gz RCZAFPCEQPLYQP-CABCVRRESA-N 0 3 277.412 2.579 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N(CC1CCCCC1)C1CC1 ZINC000424095305 330226717 /nfs/dbraw/zinc/22/67/17/330226717.db2.gz XCCOZWHHMHTWFE-HNNXBMFYSA-N 0 3 277.412 2.579 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424103007 330233615 /nfs/dbraw/zinc/23/36/15/330233615.db2.gz RWPSVIBDHCOZBN-MGPQQGTHSA-N 0 3 279.428 2.729 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000424103636 330233913 /nfs/dbraw/zinc/23/39/13/330233913.db2.gz SOWHMZHASJSEAB-JCYILVPMSA-N 0 3 299.418 2.850 20 30 CFEDHN Cc1ccc([C@H]2CCCN2C(=O)[C@H](N)CCCC#N)s1 ZINC000424111546 330239824 /nfs/dbraw/zinc/23/98/24/330239824.db2.gz ASJRVZNHIFXKSZ-CHWSQXEVSA-N 0 3 291.420 2.741 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000424111589 330239969 /nfs/dbraw/zinc/23/99/69/330239969.db2.gz AVKYIJVRCJEOMB-CVEARBPZSA-N 0 3 285.391 2.665 20 30 CFEDHN CN1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000527245494 330241574 /nfs/dbraw/zinc/24/15/74/330241574.db2.gz WJAWMEJFCXQXLR-AWEZNQCLSA-N 0 3 299.418 2.559 20 30 CFEDHN CCC(CC)N(CC(C)C)C(=O)[C@H](N)CCCC#N ZINC000424121836 330253302 /nfs/dbraw/zinc/25/33/02/330253302.db2.gz JCUYUCCJEYAKCH-CQSZACIVSA-N 0 3 267.417 2.681 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000424122803 330254648 /nfs/dbraw/zinc/25/46/48/330254648.db2.gz JSWOWPXHMFAEHB-ULQDDVLXSA-N 0 3 299.418 2.535 20 30 CFEDHN Cc1nc(CC(C)C)c(NC(=O)[C@@H](N)CCCC#N)s1 ZINC000424122760 330254773 /nfs/dbraw/zinc/25/47/73/330254773.db2.gz JFNXAWYLKVYVAJ-NSHDSACASA-N 0 3 294.424 2.610 20 30 CFEDHN Cc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1OC(F)F ZINC000424129564 330260115 /nfs/dbraw/zinc/26/01/15/330260115.db2.gz SEIXLJZSNFHAIR-NSHDSACASA-N 0 3 297.305 2.556 20 30 CFEDHN N#CCCC[C@H](N)C(=O)NC1(c2ccccc2)CCCC1 ZINC000424129538 330260190 /nfs/dbraw/zinc/26/01/90/330260190.db2.gz SCVOZGAVZYRCMY-HNNXBMFYSA-N 0 3 285.391 2.593 20 30 CFEDHN C=CC[C@H](C)NCc1csc(-c2cnn(C)c2)n1 ZINC000527663032 330273989 /nfs/dbraw/zinc/27/39/89/330273989.db2.gz XSLHENWWCFOLDI-JTQLQIEISA-N 0 3 262.382 2.598 20 30 CFEDHN C=CC[C@H](CC)NCc1csc(-c2cnn(C)c2)n1 ZINC000527701955 330274561 /nfs/dbraw/zinc/27/45/61/330274561.db2.gz CBWLSJXMABXKBP-LBPRGKRZSA-N 0 3 276.409 2.988 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccncc1Cl ZINC000527703048 330275232 /nfs/dbraw/zinc/27/52/32/330275232.db2.gz IVJWLXGNTICOQT-OCCSQVGLSA-N 0 3 266.772 2.806 20 30 CFEDHN C=CCc1cc(CN[C@@H]2C[C@]2(C)OCC)cc(OC)c1O ZINC000527783349 330283186 /nfs/dbraw/zinc/28/31/86/330283186.db2.gz JWEGIXKOSPZWMY-WBVHZDCISA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCOc1cccc(CNCC23CC(C2)CO3)c1 ZINC000527787996 330283394 /nfs/dbraw/zinc/28/33/94/330283394.db2.gz KEDZVNYJDWFOLG-UHFFFAOYSA-N 0 3 259.349 2.520 20 30 CFEDHN C=CC[C@@H](CO)CNCc1c(F)cc(C)cc1F ZINC000424162109 330307340 /nfs/dbraw/zinc/30/73/40/330307340.db2.gz CAFSSZAAYSXKJL-LLVKDONJSA-N 0 3 255.308 2.547 20 30 CFEDHN C=CCn1cc(CNC[C@H]2CC(C)=C[C@H](C)C2)nn1 ZINC000424166874 330309389 /nfs/dbraw/zinc/30/93/89/330309389.db2.gz BRLWZZBUGZHAGX-GXTWGEPZSA-N 0 3 260.385 2.546 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1c(F)cc(C)cc1F ZINC000424168016 330309972 /nfs/dbraw/zinc/30/99/72/330309972.db2.gz DZWHNGATQAJAPP-NHYWBVRUSA-N 0 3 267.319 2.954 20 30 CFEDHN C=CCn1cc(CNC[C@@H]2C(C)=CCC[C@@H]2C)nn1 ZINC000424176857 330317306 /nfs/dbraw/zinc/31/73/06/330317306.db2.gz YTSGGWOJDDYZGI-DZGCQCFKSA-N 0 3 260.385 2.546 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000424176893 330317364 /nfs/dbraw/zinc/31/73/64/330317364.db2.gz SDXWJRHJFYHUPP-FZMZJTMJSA-N 0 3 296.754 2.929 20 30 CFEDHN Cc1nn(-c2ccccn2)c(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424195109 330324548 /nfs/dbraw/zinc/32/45/48/330324548.db2.gz CLNFZXLSCDPIGM-LSDHHAIUSA-N 0 3 295.390 2.666 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H](C3CC3)C2)nn1 ZINC000424289797 330334416 /nfs/dbraw/zinc/33/44/16/330334416.db2.gz AIUICUYFCAFBNZ-KGLIPLIRSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCC[C@@H](NCCCCS(C)(=O)=O)c1ccco1 ZINC000424291197 330334897 /nfs/dbraw/zinc/33/48/97/330334897.db2.gz DGSJYOXPZARLTL-CYBMUJFWSA-N 0 3 285.409 2.701 20 30 CFEDHN C=CCn1cc(CN[C@@H](Cc2ccccc2)C2CC2)nn1 ZINC000424292680 330335074 /nfs/dbraw/zinc/33/50/74/330335074.db2.gz HDWVFDVHMQCITN-KRWDZBQOSA-N 0 3 282.391 2.575 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)[C@H](C)CCC)nn1 ZINC000424296395 330336153 /nfs/dbraw/zinc/33/61/53/330336153.db2.gz OILSDJHUKLLIRT-TZMCWYRMSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCc2ccccc2F)nn1 ZINC000424297087 330336181 /nfs/dbraw/zinc/33/61/81/330336181.db2.gz PVKARZACJLTAJO-CYBMUJFWSA-N 0 3 288.370 2.714 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCC[C@H]2C2CC2)nn1 ZINC000424300475 330337099 /nfs/dbraw/zinc/33/70/99/330337099.db2.gz XWFICEYSOKHGSI-GJZGRUSLSA-N 0 3 260.385 2.523 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCC(C)(C)C)nn1 ZINC000424300685 330337167 /nfs/dbraw/zinc/33/71/67/330337167.db2.gz YMTUGIGDHXTKGF-GFCCVEGCSA-N 0 3 250.390 2.769 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000057137272 330371944 /nfs/dbraw/zinc/37/19/44/330371944.db2.gz XRPSOCUGDNIGKJ-GOSISDBHSA-N 0 3 298.430 2.989 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(C)c1C ZINC000572473319 330386527 /nfs/dbraw/zinc/38/65/27/330386527.db2.gz CPJOEJWRQZVIPV-CVEARBPZSA-N 0 3 288.391 2.565 20 30 CFEDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N(CC)CCC#N ZINC000120678963 330390268 /nfs/dbraw/zinc/39/02/68/330390268.db2.gz ZWBOYNAKIWFVJR-HUUCEWRRSA-N 0 3 279.428 2.649 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000424648196 330440245 /nfs/dbraw/zinc/44/02/45/330440245.db2.gz LLHWIXWECBKYLN-HOCLYGCPSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000432091439 330592477 /nfs/dbraw/zinc/59/24/77/330592477.db2.gz FQFCMTDYUJCZFF-CQSZACIVSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCN(CC=C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000434670372 330642677 /nfs/dbraw/zinc/64/26/77/330642677.db2.gz BOCYIXQKMFVMEX-UHFFFAOYSA-N 0 3 280.318 2.967 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000448923349 330888503 /nfs/dbraw/zinc/88/85/03/330888503.db2.gz USRYSCOJUWFAOD-BBRMVZONSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CC(C)(C)CNCc1cc(C(=O)OCC)co1 ZINC000449487130 330930054 /nfs/dbraw/zinc/93/00/54/330930054.db2.gz WYWASCGVSJNWIJ-UHFFFAOYSA-N 0 3 251.326 2.758 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C)c(OC)c1 ZINC000449549178 330935846 /nfs/dbraw/zinc/93/58/46/330935846.db2.gz VLIWSRHIYAARLE-CABCVRRESA-N 0 3 261.365 2.827 20 30 CFEDHN C=CCOc1cccc(CN[C@@H]2COCC2(C)C)c1 ZINC000449620996 330940579 /nfs/dbraw/zinc/94/05/79/330940579.db2.gz XSHCPZHHPCMZDX-OAHLLOKOSA-N 0 3 261.365 2.766 20 30 CFEDHN C=CC1CCN(Cc2ccc(C(=O)OCC)cn2)CC1 ZINC000450388016 330975755 /nfs/dbraw/zinc/97/57/55/330975755.db2.gz HNGAMBVEEQFZLF-UHFFFAOYSA-N 0 3 274.364 2.656 20 30 CFEDHN CN1CC[C@H](NCC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000450937173 331008077 /nfs/dbraw/zinc/00/80/77/331008077.db2.gz NNHBNIVKOGYKIL-HOTGVXAUSA-N 0 3 269.392 2.715 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cncc(F)c1 ZINC000451224975 331021082 /nfs/dbraw/zinc/02/10/82/331021082.db2.gz FXXSOMPIGOYICO-GDLCADMTSA-N 0 3 250.317 2.605 20 30 CFEDHN CC(C)C[C@]1(C)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000451289090 331023236 /nfs/dbraw/zinc/02/32/36/331023236.db2.gz IXJJEJFCRFUVPX-IRXDYDNUSA-N 0 3 291.439 2.695 20 30 CFEDHN 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/nfs/dbraw/zinc/31/35/95/332313595.db2.gz HGJQWJHPCJVXOL-DJIMGWMZSA-N 0 3 299.418 2.533 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1ccccc1Cl ZINC000491746942 332324351 /nfs/dbraw/zinc/32/43/51/332324351.db2.gz VPCDNJYXFXDZHR-UHFFFAOYSA-N 0 3 295.839 2.582 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC[C@H](C)c1ccccc1 ZINC000491790634 332352705 /nfs/dbraw/zinc/35/27/05/332352705.db2.gz ZVIOBWMKRCGCGF-INIZCTEOSA-N 0 3 286.419 2.642 20 30 CFEDHN C#CCNC(=O)[C@H](C)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000491812027 332364415 /nfs/dbraw/zinc/36/44/15/332364415.db2.gz DNUJEUDJQMXAII-SWLSCSKDSA-N 0 3 292.810 2.765 20 30 CFEDHN C#CCN(C)CCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814392 332365816 /nfs/dbraw/zinc/36/58/16/332365816.db2.gz NEACNQKERCGSAK-CYBMUJFWSA-N 0 3 296.336 2.636 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C\C(C)(C)C)CC1 ZINC000491839051 332371566 /nfs/dbraw/zinc/37/15/66/332371566.db2.gz QDGUQUQCIFTOCI-TWGQIWQCSA-N 0 3 264.413 2.745 20 30 CFEDHN C[C@@H]1OCC[C@]1(C)NCC#Cc1ccccc1Cl ZINC000494236529 332468021 /nfs/dbraw/zinc/46/80/21/332468021.db2.gz DVOLWAGKBCDTSY-WFASDCNBSA-N 0 3 263.768 2.849 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)N[C@H](C)CN1CCCCC1 ZINC000494698948 332483447 /nfs/dbraw/zinc/48/34/47/332483447.db2.gz LWQCNFQEAPKYRM-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000494876635 332489122 /nfs/dbraw/zinc/48/91/22/332489122.db2.gz XQVJKGCMBSAWBA-BZUAXINKSA-N 0 3 293.455 2.999 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1CN(C)C(=O)O1)c1ccccc1 ZINC000495796805 332530441 /nfs/dbraw/zinc/53/04/41/332530441.db2.gz YMTSGOHYQMFDHK-CABCVRRESA-N 0 3 274.364 2.734 20 30 CFEDHN C[C@H](CN1CCC(CCC#N)CC1)NC(=O)OC(C)(C)C ZINC000497108457 332570214 /nfs/dbraw/zinc/57/02/14/332570214.db2.gz RJBAMLCYPIEKHO-CYBMUJFWSA-N 0 3 295.427 2.915 20 30 CFEDHN COC(=O)CCC[C@H]1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000552029398 334278557 /nfs/dbraw/zinc/27/85/57/334278557.db2.gz CQNSQBBGRQPXSH-KGLIPLIRSA-N 0 3 278.396 2.782 20 30 CFEDHN CCN(CC)C(=O)[C@H]1CCCN1CCCC(C)(C)C#N ZINC000174860202 333009337 /nfs/dbraw/zinc/00/93/37/333009337.db2.gz RUMGQXWQVNRBGT-CQSZACIVSA-N 0 3 279.428 2.649 20 30 CFEDHN Cc1ncccc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000178316066 333070869 /nfs/dbraw/zinc/07/08/69/333070869.db2.gz GPZRALBTHHYWHF-ZDUSSCGKSA-N 0 3 290.326 2.767 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(C(=O)OCC(C)C)CC1 ZINC000184087323 333125019 /nfs/dbraw/zinc/12/50/19/333125019.db2.gz OSYFOUHHUCYKGV-ZDUSSCGKSA-N 0 3 281.400 2.525 20 30 CFEDHN CC#CCCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000185513176 333142315 /nfs/dbraw/zinc/14/23/15/333142315.db2.gz FVSYSOXCSUIBQR-UHFFFAOYSA-N 0 3 278.440 2.903 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CCCc2c(C)ccc(C)c21 ZINC000186262687 333157664 /nfs/dbraw/zinc/15/76/64/333157664.db2.gz HEUOOXVURMNNMH-HNNXBMFYSA-N 0 3 272.392 2.573 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@H](C)CC(C)(C)C)CC1 ZINC000189477331 333193566 /nfs/dbraw/zinc/19/35/66/333193566.db2.gz GHQNKLRFWMDMTD-HNNXBMFYSA-N 0 3 292.467 2.910 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NCC(C)(C)N1CCCCC1 ZINC000189867168 333199751 /nfs/dbraw/zinc/19/97/51/333199751.db2.gz GXTZGDFUBLJIOL-MRXNPFEDSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000190490539 333207619 /nfs/dbraw/zinc/20/76/19/333207619.db2.gz ZYQGGIAJFXHMBD-ZFWWWQNUSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000191131426 333215685 /nfs/dbraw/zinc/21/56/85/333215685.db2.gz KLFJPGLQFNNENZ-GDBMZVCRSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000191131476 333215723 /nfs/dbraw/zinc/21/57/23/333215723.db2.gz KLFJPGLQFNNENZ-HOCLYGCPSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCCCCN1CCN(CC(C)(C)O)C[C@@H]1C ZINC000193571343 333253358 /nfs/dbraw/zinc/25/33/58/333253358.db2.gz PLTQXLOHZJALNU-HNNXBMFYSA-N 0 3 268.445 2.510 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000522976415 333302503 /nfs/dbraw/zinc/30/25/03/333302503.db2.gz QPFDRJJPGMCIHC-FXAINCCUSA-N 0 3 293.164 2.581 20 30 CFEDHN C#C[C@@H](CC)NCc1ccc(OC)c(OC(F)F)c1 ZINC000229884588 333310723 /nfs/dbraw/zinc/31/07/23/333310723.db2.gz SZULMLDJXAGZBG-NSHDSACASA-N 0 3 269.291 2.798 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OC(C)C)c(OC)c1 ZINC000229896028 333311082 /nfs/dbraw/zinc/31/10/82/333311082.db2.gz LWIXAUVIIOYWCW-CQSZACIVSA-N 0 3 261.365 2.984 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](CCO)C(C)C ZINC000230689855 333320962 /nfs/dbraw/zinc/32/09/62/333320962.db2.gz DYHYVHGHORNZOU-HNNXBMFYSA-N 0 3 263.381 2.748 20 30 CFEDHN C[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000338235387 335135308 /nfs/dbraw/zinc/13/53/08/335135308.db2.gz OHYTWEYZJWCEKP-HOCLYGCPSA-N 0 3 299.418 2.563 20 30 CFEDHN C=C(C)COCCNCc1ccc(OC)c(OCC)c1 ZINC000125793932 333573392 /nfs/dbraw/zinc/57/33/92/333573392.db2.gz QDFBHEOBDRHGBT-UHFFFAOYSA-N 0 3 279.380 2.776 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2ccc(CC#N)cc2)CCCO1 ZINC000339823960 335149085 /nfs/dbraw/zinc/14/90/85/335149085.db2.gz YSMJGFSKRRAUOH-KRWDZBQOSA-N 0 3 272.392 3.000 20 30 CFEDHN C=CC[C@H](CO)CNc1cc(CC)nc2ccccc21 ZINC000539239647 333662754 /nfs/dbraw/zinc/66/27/54/333662754.db2.gz YCNWEQGRIJIKLL-ZDUSSCGKSA-N 0 3 270.376 2.816 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000576117593 335157010 /nfs/dbraw/zinc/15/70/10/335157010.db2.gz PQWXMUATEMRLEL-DUVNUKRYSA-N 0 3 290.382 2.681 20 30 CFEDHN CN(C)c1ccccc1CN1CCC(CC#N)CC1 ZINC000541923439 333801298 /nfs/dbraw/zinc/80/12/98/333801298.db2.gz XARTWQNIGPKVNC-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN N#CCC1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000543807784 333901078 /nfs/dbraw/zinc/90/10/78/333901078.db2.gz RATNJORMFNQWRU-UHFFFAOYSA-N 0 3 296.374 2.513 20 30 CFEDHN C=CCN1CCC(NC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000074132406 333987372 /nfs/dbraw/zinc/98/73/72/333987372.db2.gz MANDAKKQYXUHSM-CYBMUJFWSA-N 0 3 291.439 2.609 20 30 CFEDHN C=CCCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932054 334007517 /nfs/dbraw/zinc/00/75/17/334007517.db2.gz BHLQWLDHEBULJT-GFCCVEGCSA-N 0 3 265.319 2.978 20 30 CFEDHN C[C@H](C#N)CN[C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000546655313 334044055 /nfs/dbraw/zinc/04/40/55/334044055.db2.gz JXTXXNBGZSNBIJ-ZMSDIMECSA-N 0 3 271.408 2.646 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000546685696 334045606 /nfs/dbraw/zinc/04/56/06/334045606.db2.gz BIKAZTWISUFGFN-PWSUYJOCSA-N 0 3 269.772 2.936 20 30 CFEDHN C=C(CNCc1ccc(OC)nc1)c1ccccc1 ZINC000134364924 334088922 /nfs/dbraw/zinc/08/89/22/334088922.db2.gz SKCVTPGDXOLHLF-UHFFFAOYSA-N 0 3 254.333 2.893 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)CC1CCCCC1 ZINC000076875023 334090359 /nfs/dbraw/zinc/09/03/59/334090359.db2.gz GHQIRPHSRRFUKI-CQSZACIVSA-N 0 3 279.428 2.507 20 30 CFEDHN CN(CC#Cc1ccccc1Cl)C[C@@H]1CCOC1 ZINC000135127457 334116870 /nfs/dbraw/zinc/11/68/70/334116870.db2.gz BDPSTCMUIUVGDE-ZDUSSCGKSA-N 0 3 263.768 2.660 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000548095737 334139740 /nfs/dbraw/zinc/13/97/40/334139740.db2.gz UCXOHERGVCFEGV-ZDUSSCGKSA-N 0 3 251.374 2.707 20 30 CFEDHN COCc1ccc(CN2CCC(CC#N)CC2)cc1 ZINC000549545470 334197076 /nfs/dbraw/zinc/19/70/76/334197076.db2.gz VKZYGRGHXBUFIQ-UHFFFAOYSA-N 0 3 258.365 2.959 20 30 CFEDHN C#CCN(CC[C@@H]1CCOC1=O)[C@H]1CCc2ccccc21 ZINC000246354056 334252564 /nfs/dbraw/zinc/25/25/64/334252564.db2.gz GJOQZHBLRLARAP-WBVHZDCISA-N 0 3 283.371 2.562 20 30 CFEDHN C=C(C)CCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000552072206 334285891 /nfs/dbraw/zinc/28/58/91/334285891.db2.gz KKQXRZGDTCMKAF-NSHDSACASA-N 0 3 251.292 2.996 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000248454011 334302590 /nfs/dbraw/zinc/30/25/90/334302590.db2.gz ZFMBOTVIGZKXLH-KCYZZUKISA-N 0 3 291.439 2.551 20 30 CFEDHN C=CCC[C@H](O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000249102476 334327619 /nfs/dbraw/zinc/32/76/19/334327619.db2.gz UYEJYMKSVYQJSF-RCBQFDQVSA-N 0 3 297.345 2.712 20 30 CFEDHN C=CCC[C@@H](C(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000249550149 334336385 /nfs/dbraw/zinc/33/63/85/334336385.db2.gz HRJZLMRWWYAQEI-IAGOWNOFSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CC[C@@H](C(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000249591656 334337619 /nfs/dbraw/zinc/33/76/19/334337619.db2.gz VOUBGUHLFYWPQM-HZPDHXFCSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000249959202 334342264 /nfs/dbraw/zinc/34/22/64/334342264.db2.gz WEYSIELWCWTXSW-SHTZXODSSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCCCNCc1cc(OC)c(OC)cc1F ZINC000572531930 334347182 /nfs/dbraw/zinc/34/71/82/334347182.db2.gz PCGIPIMIHCPHFX-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN Cc1ccccc1C(C)(C)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000555612326 334484500 /nfs/dbraw/zinc/48/45/00/334484500.db2.gz WAVVNLUPEDATTL-SFHVURJKSA-N 0 3 299.418 2.628 20 30 CFEDHN CC#CCCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000155736729 334728323 /nfs/dbraw/zinc/72/83/23/334728323.db2.gz SWGSYPBYMKIGPK-UHFFFAOYSA-N 0 3 285.387 2.607 20 30 CFEDHN N#CCCOCCN1CCC(OCc2ccccc2)CC1 ZINC000293384253 334890885 /nfs/dbraw/zinc/89/08/85/334890885.db2.gz GNDPOSFKJZZXMD-UHFFFAOYSA-N 0 3 288.391 2.598 20 30 CFEDHN CCO[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)C12CCCC2 ZINC000576302164 335187107 /nfs/dbraw/zinc/18/71/07/335187107.db2.gz OIJPNTOCSNWRPM-RBSFLKMASA-N 0 3 275.396 2.757 20 30 CFEDHN N#CCc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000343698778 335217200 /nfs/dbraw/zinc/21/72/00/335217200.db2.gz ULDFDZROSWNCBH-QGZVFWFLSA-N 0 3 266.344 2.576 20 30 CFEDHN C=CCSCCNCc1ccc2c(c1)sc(=O)n2C ZINC000192551974 335276884 /nfs/dbraw/zinc/27/68/84/335276884.db2.gz XIEFSHIOPAWSRT-UHFFFAOYSA-N 0 3 294.445 2.609 20 30 CFEDHN CN1CCC[C@@H](CNCCC#N)[C@@H]1c1cccs1 ZINC000577216847 335324355 /nfs/dbraw/zinc/32/43/55/335324355.db2.gz VSOHZZFHPURNHJ-GXTWGEPZSA-N 0 3 263.410 2.634 20 30 CFEDHN N#CC(C(=O)c1ccccc1OC1CC1)c1ccncn1 ZINC000577271901 335332772 /nfs/dbraw/zinc/33/27/72/335332772.db2.gz GOVHFDXJGZZNLW-ZDUSSCGKSA-N 0 3 279.299 2.508 20 30 CFEDHN CN(CCN1CCC(CC#N)CC1)Cc1ccccc1 ZINC000577349734 335341357 /nfs/dbraw/zinc/34/13/57/335341357.db2.gz XEZUOGYVVLBYBH-UHFFFAOYSA-N 0 3 271.408 2.744 20 30 CFEDHN O[C@H](CCc1ccccc1)CNCC#Cc1cccc(F)c1 ZINC000577385615 335346403 /nfs/dbraw/zinc/34/64/03/335346403.db2.gz NQYMYVZUAJFSSC-LJQANCHMSA-N 0 3 297.373 2.761 20 30 CFEDHN Cn1ccnc1[C@@H](NC1CCC(C)(C#N)CC1)C1CC1 ZINC000577458658 335354159 /nfs/dbraw/zinc/35/41/59/335354159.db2.gz JRJBDTWROAUSDV-BBBYJDLNSA-N 0 3 272.396 2.933 20 30 CFEDHN C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000351055124 335562018 /nfs/dbraw/zinc/56/20/18/335562018.db2.gz ICVCOEGPJHTPTC-BZNIZROVSA-N 0 3 282.347 2.599 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@H](C)CN1CCCCC1 ZINC000180892145 335628144 /nfs/dbraw/zinc/62/81/44/335628144.db2.gz XAJVZQZZFWEVDK-HUUCEWRRSA-N 0 3 281.444 2.905 20 30 CFEDHN C[C@@H](C#N)CNC1CCN(CCc2ccc(F)cc2)CC1 ZINC000183818982 335907311 /nfs/dbraw/zinc/90/73/11/335907311.db2.gz IDHMUXQQHNHAIH-AWEZNQCLSA-N 0 3 289.398 2.582 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000580753239 335962671 /nfs/dbraw/zinc/96/26/71/335962671.db2.gz VYGDYCOSBSMCGV-OIISXLGYSA-N 0 3 297.402 2.632 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001085571529 782103062 /nfs/dbraw/zinc/10/30/62/782103062.db2.gz FOJAZAJQXIHFKQ-CQSZACIVSA-N 0 3 290.407 2.955 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001085579694 782106512 /nfs/dbraw/zinc/10/65/12/782106512.db2.gz SWIRWLPLQISSHD-AWEZNQCLSA-N 0 3 289.423 2.690 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085565955 782098263 /nfs/dbraw/zinc/09/82/63/782098263.db2.gz WLIJRWPPVPFECR-MRXNPFEDSA-N 0 3 276.424 2.986 20 30 CFEDHN CC(C)N1CCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000935026252 649866280 /nfs/dbraw/zinc/86/62/80/649866280.db2.gz DMAGGKVGAPDJBO-INIZCTEOSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698860 782137026 /nfs/dbraw/zinc/13/70/26/782137026.db2.gz YKTKXXLIODVSHG-OAHLLOKOSA-N 0 3 299.418 2.681 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085710029 782138050 /nfs/dbraw/zinc/13/80/50/782138050.db2.gz WRIOOTGQUFABHH-HNNXBMFYSA-N 0 3 290.407 2.927 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738649 782147753 /nfs/dbraw/zinc/14/77/53/782147753.db2.gz RMFAFZRLMKRLMB-NXOAAHMSSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001085766693 782153235 /nfs/dbraw/zinc/15/32/35/782153235.db2.gz PIMFJZOTZXGIJE-CQSZACIVSA-N 0 3 276.380 2.701 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000355405749 500577923 /nfs/dbraw/zinc/57/79/23/500577923.db2.gz RSRCFUIPKLDARU-AWEZNQCLSA-N 0 3 264.413 2.579 20 30 CFEDHN CC1(C)CCC[C@@]1(O)CNCc1ccc(C#N)s1 ZINC000292860061 500638143 /nfs/dbraw/zinc/63/81/43/500638143.db2.gz CJTVKINNAARYBL-CQSZACIVSA-N 0 3 264.394 2.651 20 30 CFEDHN Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)cc(N2CCCC2)n1 ZINC000353609161 533723888 /nfs/dbraw/zinc/72/38/88/533723888.db2.gz ASDKYFTUSFDIRA-GDBMZVCRSA-N 0 3 284.407 2.772 20 30 CFEDHN COc1cc(CN(C)C(=O)C(C)C#N)ccc1SC ZINC000347039776 533777915 /nfs/dbraw/zinc/77/79/15/533777915.db2.gz QDFVPFYVZHPYNN-SNVBAGLBSA-N 0 3 278.377 2.535 20 30 CFEDHN C[C@@H]1C[C@H](CNCc2ccc(C#N)cc2F)[C@@H](C)O1 ZINC000414511236 533871559 /nfs/dbraw/zinc/87/15/59/533871559.db2.gz GNJZDBAQBSPGGS-JTNHKYCSSA-N 0 3 262.328 2.600 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085779864 782159009 /nfs/dbraw/zinc/15/90/09/782159009.db2.gz FCCKHLBFMXSAJA-AWEZNQCLSA-N 0 3 289.423 2.861 20 30 CFEDHN C[C@@H](F)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000367136882 534276337 /nfs/dbraw/zinc/27/63/37/534276337.db2.gz CWQNLVAFOQYRDN-CYBMUJFWSA-N 0 3 261.344 2.687 20 30 CFEDHN CC(C#N)C(=O)NCCc1csc2ccccc12 ZINC000347030708 534282960 /nfs/dbraw/zinc/28/29/60/534282960.db2.gz CMYLMJOAONAOIU-SNVBAGLBSA-N 0 3 258.346 2.720 20 30 CFEDHN CC(C#N)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000347085555 534284591 /nfs/dbraw/zinc/28/45/91/534284591.db2.gz ZUHZHUBLVOZFRX-MWLCHTKSSA-N 0 3 270.254 2.956 20 30 CFEDHN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1CO ZINC000362072477 518184565 /nfs/dbraw/zinc/18/45/65/518184565.db2.gz NQWLFLRTDKXJEY-JSGCOSHPSA-N 0 3 297.320 2.617 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](CC)c1cccc(Cl)c1 ZINC000182589287 518282110 /nfs/dbraw/zinc/28/21/10/518282110.db2.gz BWZBUXWMOXDRAX-RISCZKNCSA-N 0 3 278.783 2.519 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182545997 518720914 /nfs/dbraw/zinc/72/09/14/518720914.db2.gz LLJKIGYTIOXADX-BLLLJJGKSA-N 0 3 276.380 2.623 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1ccc(C)cc1C ZINC000046345385 518771443 /nfs/dbraw/zinc/77/14/43/518771443.db2.gz OPWIVHJFLGTSSN-INIZCTEOSA-N 0 3 275.392 2.717 20 30 CFEDHN CC(C)[C@H](O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000305794330 519823023 /nfs/dbraw/zinc/82/30/23/519823023.db2.gz DQDVSUWXIRQQQS-XHDPSFHLSA-N 0 3 264.344 2.755 20 30 CFEDHN CCO[C@H]1C[C@@H](N(C)Cc2cc(C#N)n(C)c2)C1(C)C ZINC000191390178 520542862 /nfs/dbraw/zinc/54/28/62/520542862.db2.gz ZAYQLKYXCXRNPK-CABCVRRESA-N 0 3 275.396 2.532 20 30 CFEDHN CCC[C@@H](C)C(=O)NCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000340421660 520611280 /nfs/dbraw/zinc/61/12/80/520611280.db2.gz ZWLLXOLFXVRZDK-CXAGYDPISA-N 0 3 299.418 2.688 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NCc2ccc(C#N)cc2)c1 ZINC000155687878 521918086 /nfs/dbraw/zinc/91/80/86/521918086.db2.gz NHBRUVDIFCWKGS-UHFFFAOYSA-N 0 3 293.370 2.550 20 30 CFEDHN CCc1nc(C2CCN(Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000191692337 522248120 /nfs/dbraw/zinc/24/81/20/522248120.db2.gz ROURVJLZRHZTET-UHFFFAOYSA-N 0 3 295.390 2.618 20 30 CFEDHN CCc1n[nH]c(C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000191692337 522248128 /nfs/dbraw/zinc/24/81/28/522248128.db2.gz ROURVJLZRHZTET-UHFFFAOYSA-N 0 3 295.390 2.618 20 30 CFEDHN Cc1cccc(C(=O)C(C#N)c2ccncn2)c1C ZINC000354464684 534628742 /nfs/dbraw/zinc/62/87/42/534628742.db2.gz KITSLDAGTVNPGW-ZDUSSCGKSA-N 0 3 251.289 2.584 20 30 CFEDHN COc1cc(CN2CCCOC(C)(C)C2)ccc1C#N ZINC000374204414 522375318 /nfs/dbraw/zinc/37/53/18/522375318.db2.gz JKDLNALWKPMTFA-UHFFFAOYSA-N 0 3 274.364 2.568 20 30 CFEDHN COc1cc(CN[C@H](C)CC(F)(F)F)ccc1C#N ZINC000234855426 522484135 /nfs/dbraw/zinc/48/41/35/522484135.db2.gz MRVUMIGOMTYDQA-SECBINFHSA-N 0 3 272.270 2.997 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@H]1CCCC[C@@H]1O ZINC000305853580 523167232 /nfs/dbraw/zinc/16/72/32/523167232.db2.gz VSFNIDBDJYCEGH-OCCSQVGLSA-N 0 3 264.394 2.603 20 30 CFEDHN COc1ccc(C#N)cc1CN(CC1CCC1)[C@@H](C)CO ZINC000361487375 523519878 /nfs/dbraw/zinc/51/98/78/523519878.db2.gz VHTNISOJUWLDMI-ZDUSSCGKSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H]1C1CC1 ZINC000366583594 523524027 /nfs/dbraw/zinc/52/40/27/523524027.db2.gz ZRMLRXNKBASNSE-OAHLLOKOSA-N 0 3 256.349 2.941 20 30 CFEDHN N#CCc1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000332453535 534717236 /nfs/dbraw/zinc/71/72/36/534717236.db2.gz NPYOIBDTMZUAOK-UHFFFAOYSA-N 0 3 280.375 2.855 20 30 CFEDHN CN1CC[C@H](CNc2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000361155468 523979121 /nfs/dbraw/zinc/97/91/21/523979121.db2.gz WMQHFUPXNCMXII-CJNGLKHVSA-N 0 3 298.415 2.542 20 30 CFEDHN CCc1ccc([C@H](CNc2ccnc(C#N)c2)N(C)C)cc1 ZINC000339970382 524048129 /nfs/dbraw/zinc/04/81/29/524048129.db2.gz FUWCDYVUGSIIOE-SFHVURJKSA-N 0 3 294.402 2.652 20 30 CFEDHN C[C@@H](Cn1cncn1)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360662564 524971275 /nfs/dbraw/zinc/97/12/75/524971275.db2.gz GZYSCAFCPWUHJA-SUMWQHHRSA-N 0 3 295.390 2.596 20 30 CFEDHN Cc1ccc(NC(=O)c2cc(C#N)ccn2)c(CN(C)C)c1 ZINC000339284013 525230310 /nfs/dbraw/zinc/23/03/10/525230310.db2.gz RAFVVRSZWJZFOF-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791643 782163703 /nfs/dbraw/zinc/16/37/03/782163703.db2.gz OIMUSYGVUHPMBO-OAHLLOKOSA-N 0 3 290.382 2.857 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)o1)[C@@H]1COc2ccccc21 ZINC000169148457 525519259 /nfs/dbraw/zinc/51/92/59/525519259.db2.gz FKZBXTTTWABVDP-ABAIWWIYSA-N 0 3 268.316 2.806 20 30 CFEDHN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)n(C)c1 ZINC000364716581 526027264 /nfs/dbraw/zinc/02/72/64/526027264.db2.gz GVEWEVPSTZXXEJ-ACJLOTCBSA-N 0 3 295.386 2.721 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(Cn2ccnn2)CC1 ZINC000156129086 526042267 /nfs/dbraw/zinc/04/22/67/526042267.db2.gz YZWROYIQHYGMRT-CQSZACIVSA-N 0 3 295.390 2.623 20 30 CFEDHN Cc1cc(C#N)cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000334992872 526183147 /nfs/dbraw/zinc/18/31/47/526183147.db2.gz WCTVKPBLKJWGFV-CVEARBPZSA-N 0 3 298.390 2.567 20 30 CFEDHN C=CCN(CCc1ccco1)Cc1ccc(C(N)=O)cc1 ZINC000352699524 526327497 /nfs/dbraw/zinc/32/74/97/526327497.db2.gz AILVKKMDUJPEAV-UHFFFAOYSA-N 0 3 284.359 2.609 20 30 CFEDHN C=CCN1CCC(NC(=O)NC(C)(C)C(C)(C)C)CC1 ZINC000458333680 526430903 /nfs/dbraw/zinc/43/09/03/526430903.db2.gz LQVLODIRJFRCHF-UHFFFAOYSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@](C)(c2ccccc2)CC1 ZINC000352200991 526529212 /nfs/dbraw/zinc/52/92/12/526529212.db2.gz CSNPRQQQHDVFAN-SFHVURJKSA-N 0 3 286.419 2.732 20 30 CFEDHN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1F ZINC000300469852 526548773 /nfs/dbraw/zinc/54/87/73/526548773.db2.gz SWJVZWVZIMKKEY-OIISXLGYSA-N 0 3 288.366 2.823 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CC[C@@H](C)C2)CC1 ZINC000353719957 526591805 /nfs/dbraw/zinc/59/18/05/526591805.db2.gz KIBSUPDZGHIAEC-CABCVRRESA-N 0 3 293.455 2.762 20 30 CFEDHN C=C(C)CN1CCC(NCc2csc(C)n2)CC1 ZINC000106245889 526604017 /nfs/dbraw/zinc/60/40/17/526604017.db2.gz BHJJYEKPTJCZFS-UHFFFAOYSA-N 0 3 265.426 2.582 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000106245385 526604655 /nfs/dbraw/zinc/60/46/55/526604655.db2.gz ZHHHOMIKIUJJLQ-UHFFFAOYSA-N 0 3 260.381 2.522 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000336460433 526612496 /nfs/dbraw/zinc/61/24/96/526612496.db2.gz FPOCNVISEFBYTI-CQSZACIVSA-N 0 3 284.338 2.800 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1F ZINC000336460432 526613331 /nfs/dbraw/zinc/61/33/31/526613331.db2.gz FPOCNVISEFBYTI-AWEZNQCLSA-N 0 3 284.338 2.800 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)c(F)c1 ZINC000336116832 526626910 /nfs/dbraw/zinc/62/69/10/526626910.db2.gz VWTRIPQIYIMEGC-CQSZACIVSA-N 0 3 282.318 2.660 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000336223106 526704205 /nfs/dbraw/zinc/70/42/05/526704205.db2.gz CPOPPCUFTLSSFU-MRXNPFEDSA-N 0 3 256.349 2.561 20 30 CFEDHN N#Cc1cccc(CN2CCc3ccccc3[C@@H]2CN)c1 ZINC000227722931 526705015 /nfs/dbraw/zinc/70/50/15/526705015.db2.gz ZXLNQTUCIKZAIG-SFHVURJKSA-N 0 3 277.371 2.616 20 30 CFEDHN C=CCOCC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000354706019 526724039 /nfs/dbraw/zinc/72/40/39/526724039.db2.gz YIZOTPGAMDHHRA-UHFFFAOYSA-N 0 3 288.391 2.814 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000334945750 526735054 /nfs/dbraw/zinc/73/50/54/526735054.db2.gz TWKOGVJRHYLLBU-JKSUJKDBSA-N 0 3 256.349 2.559 20 30 CFEDHN C=CCOCCCN1CCC(c2noc(C(C)C)n2)CC1 ZINC000347976095 526751737 /nfs/dbraw/zinc/75/17/37/526751737.db2.gz YCWGIYHOWOOVLG-UHFFFAOYSA-N 0 3 293.411 2.965 20 30 CFEDHN C=CCOCCCN1CCCN(c2ccccc2C#N)CC1 ZINC000347965043 526752536 /nfs/dbraw/zinc/75/25/36/526752536.db2.gz DJFYZVATMMRCSE-UHFFFAOYSA-N 0 3 299.418 2.663 20 30 CFEDHN C=CCOCCCN1CCN(CCc2cccs2)CC1 ZINC000347963479 526755595 /nfs/dbraw/zinc/75/55/95/526755595.db2.gz JSRKUQMPXGDYKU-UHFFFAOYSA-N 0 3 294.464 2.501 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](C(=O)OC)[C@@H]1C ZINC000347313444 526933664 /nfs/dbraw/zinc/93/36/64/526933664.db2.gz PNNOKZSWBFZRHR-ZFWWWQNUSA-N 0 3 289.375 2.635 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc(SC)c2)CC1 ZINC000108707860 526933834 /nfs/dbraw/zinc/93/38/34/526933834.db2.gz KOSCZDWUJGBICM-UHFFFAOYSA-N 0 3 288.416 2.692 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@](O)(C(F)(F)F)C1 ZINC000353692956 526986325 /nfs/dbraw/zinc/98/63/25/526986325.db2.gz WJAYOWYQOZBDMI-GFCCVEGCSA-N 0 3 278.318 2.706 20 30 CFEDHN C=CCC(C)(C)CNC(=O)[C@H](C)N1CCCCCC1 ZINC000352540728 527012353 /nfs/dbraw/zinc/01/23/53/527012353.db2.gz OPKSZTNKKLNSFB-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN Cc1nc2c(s1)[C@@H](NCc1cc(C#N)n(C)c1)CCC2 ZINC000365172033 527108930 /nfs/dbraw/zinc/10/89/30/527108930.db2.gz PPWXVFXUDREIIS-ZDUSSCGKSA-N 0 3 286.404 2.829 20 30 CFEDHN C=CCCCCCN(C)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000351904206 527130567 /nfs/dbraw/zinc/13/05/67/527130567.db2.gz NVYODJMZDLWTEQ-AWEZNQCLSA-N 0 3 297.443 2.535 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000354644840 527152843 /nfs/dbraw/zinc/15/28/43/527152843.db2.gz UJVFCQYIBWFTLE-ZFWWWQNUSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000347624376 527153896 /nfs/dbraw/zinc/15/38/96/527153896.db2.gz NDDUIBLQAPAYSJ-KKUMJFAQSA-N 0 3 281.444 2.903 20 30 CFEDHN C=CCc1cc(CN[C@]2(C)CCO[C@H]2C)cc(OC)c1O ZINC000344375018 527243889 /nfs/dbraw/zinc/24/38/89/527243889.db2.gz PIVWUWHIWZBIHW-YVEFUNNKSA-N 0 3 291.391 2.786 20 30 CFEDHN C=CCn1cccc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000347475534 527385404 /nfs/dbraw/zinc/38/54/04/527385404.db2.gz XTFMDEQYSPWGJF-UHFFFAOYSA-N 0 3 289.423 2.526 20 30 CFEDHN C=CCC[C@@H](NCCN1CCO[C@@H](CC)C1)c1ccco1 ZINC000353586140 527447954 /nfs/dbraw/zinc/44/79/54/527447954.db2.gz CCKKLCRKPAPQCC-JKSUJKDBSA-N 0 3 292.423 2.987 20 30 CFEDHN C=CCC[C@@H](N[C@H](CCO)CSC)c1ccco1 ZINC000353514514 527450874 /nfs/dbraw/zinc/45/08/74/527450874.db2.gz HEZFUKUYAZXNSP-CHWSQXEVSA-N 0 3 269.410 2.991 20 30 CFEDHN C=C[C@H](CO)N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000353570190 527595546 /nfs/dbraw/zinc/59/55/46/527595546.db2.gz DNHVXFVCLMWAAT-PMPSAXMXSA-N 0 3 275.392 2.507 20 30 CFEDHN CC(C)(C)CCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348100413 527669821 /nfs/dbraw/zinc/66/98/21/527669821.db2.gz JATBDAMHUGNWDV-HNNXBMFYSA-N 0 3 283.375 2.793 20 30 CFEDHN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CC2CC2)CC1 ZINC001085798662 782165400 /nfs/dbraw/zinc/16/54/00/782165400.db2.gz YGOLNYJOGMKLAL-INIZCTEOSA-N 0 3 276.424 2.676 20 30 CFEDHN CC(C)OCc1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000354472700 528033550 /nfs/dbraw/zinc/03/35/50/528033550.db2.gz UXPZVKISIJQUNH-HNNXBMFYSA-N 0 3 295.342 2.892 20 30 CFEDHN CCN(CC)CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352226122 528088106 /nfs/dbraw/zinc/08/81/06/528088106.db2.gz RLRKFMVHMVAMBD-INIZCTEOSA-N 0 3 287.407 2.880 20 30 CFEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CC2CC2)CC1 ZINC001085798663 782166435 /nfs/dbraw/zinc/16/64/35/782166435.db2.gz YGOLNYJOGMKLAL-MRXNPFEDSA-N 0 3 276.424 2.676 20 30 CFEDHN CCOc1ccc(C2=CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000351994761 528413752 /nfs/dbraw/zinc/41/37/52/528413752.db2.gz NZJSQYRGSCCKQE-CYBMUJFWSA-N 0 3 284.359 2.861 20 30 CFEDHN CCOc1ccc(CN(C(=O)C(C)C#N)C(C)C)cc1 ZINC000344894600 528426283 /nfs/dbraw/zinc/42/62/83/528426283.db2.gz RMAIQCUDFPVEKI-ZDUSSCGKSA-N 0 3 274.364 2.982 20 30 CFEDHN CCOc1ccc(CN(C(=O)C(C)C#N)C(C)C)cc1 ZINC000344894598 528426366 /nfs/dbraw/zinc/42/63/66/528426366.db2.gz RMAIQCUDFPVEKI-CYBMUJFWSA-N 0 3 274.364 2.982 20 30 CFEDHN CCN(CCOC)Cc1ccccc1C(C)(C)C#N ZINC000347334660 528562581 /nfs/dbraw/zinc/56/25/81/528562581.db2.gz IUHKAFRJXVUBGZ-UHFFFAOYSA-N 0 3 260.381 2.956 20 30 CFEDHN CC(C)[C@@H](NC(=O)C(C)C#N)c1ccc(F)cc1F ZINC000344543757 528567308 /nfs/dbraw/zinc/56/73/08/528567308.db2.gz GZYDOHRAXNVFJY-NOZJJQNGSA-N 0 3 266.291 2.938 20 30 CFEDHN CC1(C)CCCN(CCNc2ncc(C#N)cc2F)C1 ZINC000413264535 528938566 /nfs/dbraw/zinc/93/85/66/528938566.db2.gz MQWXQZSNIPKQJP-UHFFFAOYSA-N 0 3 276.359 2.626 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1cccc(OC)c1 ZINC000353835011 529032351 /nfs/dbraw/zinc/03/23/51/529032351.db2.gz CFRKAXMXUAFDCZ-RYUDHWBXSA-N 0 3 260.337 2.764 20 30 CFEDHN CCN1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000413022919 529106511 /nfs/dbraw/zinc/10/65/11/529106511.db2.gz HBECTRYKMHIRDI-ZDUSSCGKSA-N 0 3 288.351 2.671 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330170388 529280507 /nfs/dbraw/zinc/28/05/07/529280507.db2.gz DPVJANCXHMNBHD-MCIONIFRSA-N 0 3 290.411 2.670 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCn2ccnc2C1 ZINC000330170388 529280509 /nfs/dbraw/zinc/28/05/09/529280509.db2.gz DPVJANCXHMNBHD-MCIONIFRSA-N 0 3 290.411 2.670 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000459635364 534928060 /nfs/dbraw/zinc/92/80/60/534928060.db2.gz PQDVZJKOMZLCJC-OKILXGFUSA-N 0 3 262.328 2.743 20 30 CFEDHN CC1([C@H]2CCCN(CC#Cc3ccccc3)C2)OCCO1 ZINC000192175746 535206020 /nfs/dbraw/zinc/20/60/20/535206020.db2.gz QCWFYWYHLCMMDD-KRWDZBQOSA-N 0 3 285.387 2.513 20 30 CFEDHN CC[C@@H](NC[C@@H](O)COCC(C)C)c1ccc(C#N)cc1 ZINC000447540115 535804496 /nfs/dbraw/zinc/80/44/96/535804496.db2.gz ITZIPVHFNDMOJR-IAGOWNOFSA-N 0 3 290.407 2.632 20 30 CFEDHN CC[C@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000447588660 535899271 /nfs/dbraw/zinc/89/92/71/535899271.db2.gz VSBAZILIQBSIPI-HNNXBMFYSA-N 0 3 287.407 2.904 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000263993180 536400683 /nfs/dbraw/zinc/40/06/83/536400683.db2.gz BXZZLUGRHNHTPN-SFHVURJKSA-N 0 3 296.370 2.602 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805559 782173677 /nfs/dbraw/zinc/17/36/77/782173677.db2.gz KQJPOLWYVLXBBW-LBPRGKRZSA-N 0 3 295.814 2.781 20 30 CFEDHN C#CC[C@H](NC(=O)[C@H]1CCCN1C(C)C)c1ccccc1 ZINC000935104259 649875994 /nfs/dbraw/zinc/87/59/94/649875994.db2.gz ZKSFRWTWRSSBKL-DLBZAZTESA-N 0 3 284.403 2.740 20 30 CFEDHN COC1(C(=O)C(C#N)c2nc3ccccc3n2C)CCCC1 ZINC000753892028 574053119 /nfs/dbraw/zinc/05/31/19/574053119.db2.gz UBDWQGRGWOKSDJ-LBPRGKRZSA-N 0 3 297.358 2.709 20 30 CFEDHN C=CCNC(=S)NC(C)(C)CN(C)Cc1ccccc1 ZINC000753898524 574053966 /nfs/dbraw/zinc/05/39/66/574053966.db2.gz MJBKOOMPQYYBLD-UHFFFAOYSA-N 0 3 291.464 2.547 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCC(=O)CC1 ZINC000753949449 574058384 /nfs/dbraw/zinc/05/83/84/574058384.db2.gz JYLLOXLABCJMKA-CYBMUJFWSA-N 0 3 295.342 2.509 20 30 CFEDHN C[C@@H]1CC(N=Nc2ccc(Cl)nc2)CN1C1CC1 ZINC000753960237 574059770 /nfs/dbraw/zinc/05/97/70/574059770.db2.gz PHVQSERDADRRBW-SECBINFHSA-N 0 3 264.760 2.760 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000754044771 574065330 /nfs/dbraw/zinc/06/53/30/574065330.db2.gz YWVOTOZSHHUTAO-RISCZKNCSA-N 0 3 271.364 2.655 20 30 CFEDHN C#C[C@H](N[C@@H]1CS[C@H](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000754149271 574078184 /nfs/dbraw/zinc/07/81/84/574078184.db2.gz LTCQDAHCUFGBTO-XUXIUFHCSA-N 0 3 267.438 2.677 20 30 CFEDHN C#CCN(CCOC[C@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000741244025 574091232 /nfs/dbraw/zinc/09/12/32/574091232.db2.gz CBWWIDGHZFSFNH-MJGOQNOKSA-N 0 3 299.414 2.805 20 30 CFEDHN CC(C)[C@H]1C[C@@H](NCc2ccc(C#N)cn2)CS1 ZINC000754147199 574091818 /nfs/dbraw/zinc/09/18/18/574091818.db2.gz AGXNIPPSECDWIB-ZIAGYGMSSA-N 0 3 261.394 2.573 20 30 CFEDHN CC(C)[C@H]1C[C@H](NCc2ccc(C#N)cn2)CS1 ZINC000754147197 574091825 /nfs/dbraw/zinc/09/18/25/574091825.db2.gz AGXNIPPSECDWIB-UONOGXRCSA-N 0 3 261.394 2.573 20 30 CFEDHN COc1cccc(C[C@@H](NCC2(C#N)CC2)C2CC2)c1 ZINC000754482709 574097469 /nfs/dbraw/zinc/09/74/69/574097469.db2.gz JVZZGYRJUKSJHI-MRXNPFEDSA-N 0 3 270.376 2.910 20 30 CFEDHN C=CCc1cc(C[N@H+]2CC[C@@H](COC)C2)c([O-])c(OC)c1 ZINC000754742108 574117886 /nfs/dbraw/zinc/11/78/86/574117886.db2.gz PTHOCWXQURHBIV-CQSZACIVSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CCc1cc(C[N@@H+]2CC[C@@H](COC)C2)c([O-])c(OC)c1 ZINC000754742108 574117890 /nfs/dbraw/zinc/11/78/90/574117890.db2.gz PTHOCWXQURHBIV-CQSZACIVSA-N 0 3 291.391 2.598 20 30 CFEDHN C=CC[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccncc1 ZINC000746270444 574142154 /nfs/dbraw/zinc/14/21/54/574142154.db2.gz XWMXRRZPWBUHCQ-LZWOXQAQSA-N 0 3 287.407 2.688 20 30 CFEDHN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674679 574162267 /nfs/dbraw/zinc/16/22/67/574162267.db2.gz OYFYYQYLHQOJJJ-BQFCYCMXSA-N 0 3 298.430 2.640 20 30 CFEDHN CCO[C@@H]1CCCN(Cc2ccc(OCC#N)cc2)C1 ZINC000738318167 574164159 /nfs/dbraw/zinc/16/41/59/574164159.db2.gz AHHMEGNUSLMIEC-MRXNPFEDSA-N 0 3 274.364 2.590 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@H](C)SCCCC)CC1 ZINC000740737997 574170208 /nfs/dbraw/zinc/17/02/08/574170208.db2.gz QCHLIRGTECYBOP-AWEZNQCLSA-N 0 3 296.480 2.512 20 30 CFEDHN COc1cccc(N=NC2CN(C3CC3)C[C@H]2C)c1 ZINC000755891625 574195011 /nfs/dbraw/zinc/19/50/11/574195011.db2.gz DOCUHYGHKCVQCH-LLVKDONJSA-N 0 3 259.353 2.577 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccon2)c([O-])c1 ZINC000747864507 574216124 /nfs/dbraw/zinc/21/61/24/574216124.db2.gz NWLJLUXJMAHODT-MHWRWJLKSA-N 0 3 273.336 2.846 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2scnc2Cl)CC1 ZINC000729975982 574240743 /nfs/dbraw/zinc/24/07/43/574240743.db2.gz SDCNAHWGKFAPMJ-UHFFFAOYSA-N 0 3 299.827 2.567 20 30 CFEDHN C#CCOc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000733901011 574260949 /nfs/dbraw/zinc/26/09/49/574260949.db2.gz XVUPHEVIXPFUCL-UHFFFAOYSA-N 0 3 297.354 2.703 20 30 CFEDHN C#CCOc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000733901011 574260952 /nfs/dbraw/zinc/26/09/52/574260952.db2.gz XVUPHEVIXPFUCL-UHFFFAOYSA-N 0 3 297.354 2.703 20 30 CFEDHN C=CCN(C(=O)[C@@H](C)N1CCCCCC1)C(C)C ZINC000733916297 574261537 /nfs/dbraw/zinc/26/15/37/574261537.db2.gz FAMUZXSINOWIKY-CQSZACIVSA-N 0 3 252.402 2.674 20 30 CFEDHN C#CCCN1CCC(NC(=O)CCc2ccc(C)cc2)CC1 ZINC000740735648 574264860 /nfs/dbraw/zinc/26/48/60/574264860.db2.gz KIXJQVSFCCMHFD-UHFFFAOYSA-N 0 3 298.430 2.532 20 30 CFEDHN CCCNN=C1CCN(Cc2ccccc2)C[C@@H]1C ZINC000734365721 574283944 /nfs/dbraw/zinc/28/39/44/574283944.db2.gz QXOLDKLWJAWOCK-AWEZNQCLSA-N 0 3 259.397 2.884 20 30 CFEDHN C=CCOC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000741315275 574286791 /nfs/dbraw/zinc/28/67/91/574286791.db2.gz FNRBSRVUGYYCPX-OAHLLOKOSA-N 0 3 259.349 2.628 20 30 CFEDHN CCCCCCCCOCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000741625780 574297473 /nfs/dbraw/zinc/29/74/73/574297473.db2.gz SMFWRMHFUIMKQQ-INIZCTEOSA-N 0 3 298.471 2.916 20 30 CFEDHN CCCCCCCCOCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000741685531 574299046 /nfs/dbraw/zinc/29/90/46/574299046.db2.gz WAJGYARFPKUNCM-INIZCTEOSA-N 0 3 298.471 2.916 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000735206625 574316532 /nfs/dbraw/zinc/31/65/32/574316532.db2.gz MGUDXPMEMUJDTC-GXMNPTEKSA-N 0 3 286.331 2.699 20 30 CFEDHN CCCCN(CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735308728 574319653 /nfs/dbraw/zinc/31/96/53/574319653.db2.gz QRQOQQUFGWBFML-UHFFFAOYSA-N 0 3 296.798 2.837 20 30 CFEDHN C=CCCC[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413274 574322888 /nfs/dbraw/zinc/32/28/88/574322888.db2.gz RMGFGTWREAFVBG-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCCC[N@H+](CC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735413274 574322890 /nfs/dbraw/zinc/32/28/90/574322890.db2.gz RMGFGTWREAFVBG-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCCC[N@@H+](CC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413274 574322892 /nfs/dbraw/zinc/32/28/92/574322892.db2.gz RMGFGTWREAFVBG-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCCC[N@H+](CC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735413274 574322893 /nfs/dbraw/zinc/32/28/93/574322893.db2.gz RMGFGTWREAFVBG-UHFFFAOYSA-N 0 3 271.368 2.655 20 30 CFEDHN C=CCCCN(CC)CC(=O)Nc1ccc(OC)cc1 ZINC000735492673 574327063 /nfs/dbraw/zinc/32/70/63/574327063.db2.gz RZLCRGBCESLHFX-UHFFFAOYSA-N 0 3 276.380 2.922 20 30 CFEDHN C=CCCCOC(=O)C1CCN(c2ccc(F)cc2)C1=O ZINC000735532097 574328359 /nfs/dbraw/zinc/32/83/59/574328359.db2.gz IRTIGVXVODHLLK-CQSZACIVSA-N 0 3 291.322 2.688 20 30 CFEDHN C=CCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000394103269 574340663 /nfs/dbraw/zinc/34/06/63/574340663.db2.gz FIPSRMXJCJYQAW-ZDUSSCGKSA-N 0 3 283.368 2.600 20 30 CFEDHN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)nc1 ZINC000755891492 574361874 /nfs/dbraw/zinc/36/18/74/574361874.db2.gz HGVUKZBICFDTIZ-SECBINFHSA-N 0 3 264.760 2.617 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000743491151 574366838 /nfs/dbraw/zinc/36/68/38/574366838.db2.gz ZACVKEDQEAWXPJ-MRXNPFEDSA-N 0 3 298.430 2.702 20 30 CFEDHN C[C@H]1CN(C)CC1N=Nc1ccc(OC(F)(F)F)cc1 ZINC000752161986 574388642 /nfs/dbraw/zinc/38/86/42/574388642.db2.gz YTCIYGKHVHVLSS-VIFPVBQESA-N 0 3 287.285 2.935 20 30 CFEDHN Cc1c(Cl)cccc1N=NC1CN(C)C[C@H]1C ZINC000752161500 574388734 /nfs/dbraw/zinc/38/87/34/574388734.db2.gz UAEPTNWIIRNHKI-SECBINFHSA-N 0 3 251.761 2.998 20 30 CFEDHN CN1CCc2cc(C=NNCc3ccccc3)ccc21 ZINC000752718993 574393909 /nfs/dbraw/zinc/39/39/09/574393909.db2.gz OUXWKNUSZGTBFK-UHFFFAOYSA-N 0 3 265.360 2.803 20 30 CFEDHN N#CC(C(=O)C1CC(F)(F)C1)c1nc2ccccc2[nH]1 ZINC000753799881 574410354 /nfs/dbraw/zinc/41/03/54/574410354.db2.gz UWCDSJSDTNDVPI-VIFPVBQESA-N 0 3 275.258 2.784 20 30 CFEDHN CC1(C)C[C@H](CNC[C@@H](C#N)CCC#N)C(C)(C)O1 ZINC000901624805 620874630 /nfs/dbraw/zinc/87/46/30/620874630.db2.gz RAYJNVXBKNGQEB-CHWSQXEVSA-N 0 3 263.385 2.613 20 30 CFEDHN C/C=C(\C)C(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000990847333 620679264 /nfs/dbraw/zinc/67/92/64/620679264.db2.gz UVABROVUPKVPIN-LZWSPWQCSA-N 0 3 297.402 2.605 20 30 CFEDHN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)(C)CCC#N ZINC000825957607 608525950 /nfs/dbraw/zinc/52/59/50/608525950.db2.gz FBWPMRRTBFNXKW-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC(C)(C)CCC#N ZINC000825957607 608525951 /nfs/dbraw/zinc/52/59/51/608525951.db2.gz FBWPMRRTBFNXKW-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)(C)CCC#N ZINC000825957607 608525952 /nfs/dbraw/zinc/52/59/52/608525952.db2.gz FBWPMRRTBFNXKW-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC(C)(C)CCC#N ZINC000825957607 608525953 /nfs/dbraw/zinc/52/59/53/608525953.db2.gz FBWPMRRTBFNXKW-UHFFFAOYSA-N 0 3 298.394 2.628 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965453632 613023860 /nfs/dbraw/zinc/02/38/60/613023860.db2.gz UVRCTZTZCNZKEK-DOTOQJQBSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914918 613037434 /nfs/dbraw/zinc/03/74/34/613037434.db2.gz JOUGPSFVSSZMMB-HOTGVXAUSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977522348 613037947 /nfs/dbraw/zinc/03/79/47/613037947.db2.gz HXASRKSOQHYUPP-WBVHZDCISA-N 0 3 298.430 2.640 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977557847 613038699 /nfs/dbraw/zinc/03/86/99/613038699.db2.gz GXGIGPIYGFCVQI-KRWDZBQOSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)C2(C)CCCC2)CC1 ZINC000948661890 613177791 /nfs/dbraw/zinc/17/77/91/613177791.db2.gz 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618296087 /nfs/dbraw/zinc/29/60/87/618296087.db2.gz JDUHGOLPNLSINJ-HNNXBMFYSA-N 0 3 288.391 2.504 20 30 CFEDHN C#CC1CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC000895116025 618315075 /nfs/dbraw/zinc/31/50/75/618315075.db2.gz QMXWQHMGLXMXCL-UHFFFAOYSA-N 0 3 271.408 2.923 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024506118 618339195 /nfs/dbraw/zinc/33/91/95/618339195.db2.gz JJMJLJIMPYDRDO-HOTGVXAUSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024506117 618339530 /nfs/dbraw/zinc/33/95/30/618339530.db2.gz JJMJLJIMPYDRDO-CVEARBPZSA-N 0 3 288.435 2.561 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024506119 618339566 /nfs/dbraw/zinc/33/95/66/618339566.db2.gz JJMJLJIMPYDRDO-HZPDHXFCSA-N 0 3 288.435 2.561 20 30 CFEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)c(C)s1 ZINC000178706692 618340478 /nfs/dbraw/zinc/34/04/78/618340478.db2.gz YJSTUYKDXJKSLX-GFCCVEGCSA-N 0 3 299.355 2.721 20 30 CFEDHN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001024536750 618349508 /nfs/dbraw/zinc/34/95/08/618349508.db2.gz TVXCNYALCXBRTH-CQSZACIVSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1N[C@H](C)c1cc(CO)on1 ZINC000926676390 618402070 /nfs/dbraw/zinc/40/20/70/618402070.db2.gz LLOHDJRHQJINHZ-YRGRVCCFSA-N 0 3 264.369 2.952 20 30 CFEDHN CC[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895157068 618403596 /nfs/dbraw/zinc/40/35/96/618403596.db2.gz MGJZIYUSZBERBW-KGLIPLIRSA-N 0 3 296.798 2.631 20 30 CFEDHN C[C@H](CC(C)(C)c1ccccc1)[NH2+][C@H]1CCCN([O-])C1=O ZINC000895159041 618405893 /nfs/dbraw/zinc/40/58/93/618405893.db2.gz CAIYPNPWJAQHIZ-HIFRSBDPSA-N 0 3 290.407 2.713 20 30 CFEDHN O=C1[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCCN1[O-] ZINC000895162879 618410949 /nfs/dbraw/zinc/41/09/49/618410949.db2.gz OUDBKGQUZYUCGK-OWCLPIDISA-N 0 3 288.391 2.683 20 30 CFEDHN O=C1[C@H]([NH2+]C2CCC(c3ccccc3)CC2)CCCN1[O-] ZINC000895163305 618412750 /nfs/dbraw/zinc/41/27/50/618412750.db2.gz SWEIOMDSCPEFER-UYSNPLJNSA-N 0 3 288.391 2.683 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024608448 618413210 /nfs/dbraw/zinc/41/32/10/618413210.db2.gz PMRYYEZKPPWHLX-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024642597 618430959 /nfs/dbraw/zinc/43/09/59/618430959.db2.gz XINRQZKBAAFSBL-HOTGVXAUSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024704692 618448583 /nfs/dbraw/zinc/44/85/83/618448583.db2.gz QKRSRTNFGQESRB-HRCADAONSA-N 0 3 276.424 2.579 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c(OCC)c1)C(C)C ZINC000311281133 618459952 /nfs/dbraw/zinc/45/99/52/618459952.db2.gz KKVSBRBRKGAVCL-CQSZACIVSA-N 0 3 261.365 2.841 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024787807 618470219 /nfs/dbraw/zinc/47/02/19/618470219.db2.gz BPJSNUHRJDOOKQ-GOSISDBHSA-N 0 3 298.430 2.911 20 30 CFEDHN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024787808 618470690 /nfs/dbraw/zinc/47/06/90/618470690.db2.gz BPJSNUHRJDOOKQ-SFHVURJKSA-N 0 3 298.430 2.911 20 30 CFEDHN C#CC1(O)CCN(Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000895382465 618560688 /nfs/dbraw/zinc/56/06/88/618560688.db2.gz GNCKLCVGLDVNKC-UHFFFAOYSA-N 0 3 299.414 2.750 20 30 CFEDHN C#CC1(O)CCN(C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000895386102 618562600 /nfs/dbraw/zinc/56/26/00/618562600.db2.gz SOOCVDNQADHCPZ-LBPRGKRZSA-N 0 3 279.330 2.528 20 30 CFEDHN C#C[C@H](CC)NCc1cc2c(c(Br)c1)OCO2 ZINC000229878232 618646719 /nfs/dbraw/zinc/64/67/19/618646719.db2.gz QBRJVBYHVFCCPV-SNVBAGLBSA-N 0 3 296.164 2.679 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001007512821 618690533 /nfs/dbraw/zinc/69/05/33/618690533.db2.gz SHLLCFFRVRGPSX-INIZCTEOSA-N 0 3 290.451 2.951 20 30 CFEDHN CO[C@](C)(CNCc1cc(C#N)ccc1F)C1CC1 ZINC000311452629 618712296 /nfs/dbraw/zinc/71/22/96/618712296.db2.gz JRAMQQOHFDLVSF-OAHLLOKOSA-N 0 3 262.328 2.602 20 30 CFEDHN CCCCCCCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892789639 618747374 /nfs/dbraw/zinc/74/73/74/618747374.db2.gz RBPBWTCYTHBJEF-MRXNPFEDSA-N 0 3 266.429 2.947 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@@H]2C)C1 ZINC001020186502 618804494 /nfs/dbraw/zinc/80/44/94/618804494.db2.gz QVPLUBIVMGZOAZ-PYJNHQTQSA-N 0 3 284.831 2.802 20 30 CFEDHN C[C@@H]1CO[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1 ZINC000893060531 618816812 /nfs/dbraw/zinc/81/68/12/618816812.db2.gz DMRNMQACCNEQKO-PEXQALLHSA-N 0 3 298.264 2.702 20 30 CFEDHN C=CCCOCCNCc1ccc(CC(C)C)nc1 ZINC000893252219 618907546 /nfs/dbraw/zinc/90/75/46/618907546.db2.gz YIZOUNVTXAQVQI-UHFFFAOYSA-N 0 3 262.397 2.962 20 30 CFEDHN C[C@H](C[C@H](O)c1ccco1)NCC#Cc1ccccc1 ZINC000893267930 618918417 /nfs/dbraw/zinc/91/84/17/618918417.db2.gz YHOIXLNQQSLUSG-ZBFHGGJFSA-N 0 3 269.344 2.733 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H](C)c2ccccc2C)CC1 ZINC000932141088 619196088 /nfs/dbraw/zinc/19/60/88/619196088.db2.gz PJPQXTYPSCLQNM-OAHLLOKOSA-N 0 3 286.419 2.865 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190733 619205069 /nfs/dbraw/zinc/20/50/69/619205069.db2.gz FTZDJLLBJFAQAI-TZMCWYRMSA-N 0 3 292.448 2.748 20 30 CFEDHN C=C(Br)CN[C@@H]1CCOC12CCCCC2 ZINC000924961539 619304802 /nfs/dbraw/zinc/30/48/02/619304802.db2.gz RVRQVWLBHZJZLI-LLVKDONJSA-N 0 3 274.202 2.976 20 30 CFEDHN N#Cc1cc(CN2CCCCC[C@H]2CCO)cs1 ZINC000894295912 619314111 /nfs/dbraw/zinc/31/41/11/619314111.db2.gz SYDZDKVTODETSB-ZDUSSCGKSA-N 0 3 264.394 2.747 20 30 CFEDHN C=CCCN(C)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894533938 619412214 /nfs/dbraw/zinc/41/22/14/619412214.db2.gz VLMMYOSLVANJMH-UHFFFAOYSA-N 0 3 264.369 2.933 20 30 CFEDHN C=CC(C)(C)CNCc1cn(Cc2ccccc2)nn1 ZINC000894715608 619448156 /nfs/dbraw/zinc/44/81/56/619448156.db2.gz XWOPFHLCUCMHPU-UHFFFAOYSA-N 0 3 270.380 2.628 20 30 CFEDHN C=CC(C)(C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000894750562 619456874 /nfs/dbraw/zinc/45/68/74/619456874.db2.gz JSCIVXKASLDIJZ-HIFRSBDPSA-N 0 3 289.423 2.942 20 30 CFEDHN C=C(CNC(=O)N1CC[C@H]2[C@H]1CCCN2C)c1ccccc1 ZINC000894847763 619481671 /nfs/dbraw/zinc/48/16/71/619481671.db2.gz GARAEBRJWIEIJV-DLBZAZTESA-N 0 3 299.418 2.578 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(F)CC2)cc1 ZINC000895548974 619549691 /nfs/dbraw/zinc/54/96/91/619549691.db2.gz FKVDXMFIDZXVAG-LBPRGKRZSA-N 0 3 262.328 2.911 20 30 CFEDHN C=CCCCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000895605519 619568978 /nfs/dbraw/zinc/56/89/78/619568978.db2.gz OIMJUEDNODCGOG-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000895676020 619580423 /nfs/dbraw/zinc/58/04/23/619580423.db2.gz YBOLHYGJCHWDBK-UHFFFAOYSA-N 0 3 299.414 2.826 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000895669461 619582344 /nfs/dbraw/zinc/58/23/44/619582344.db2.gz FJCRPUAPEOWRJU-UHFFFAOYSA-N 0 3 268.360 2.518 20 30 CFEDHN C#CCC1(O)CCN(C/C=C/c2cccc(F)c2)CC1 ZINC000895669518 619582411 /nfs/dbraw/zinc/58/24/11/619582411.db2.gz CIWHJSYUCTZKEL-GQCTYLIASA-N 0 3 273.351 2.689 20 30 CFEDHN C[C@H]1[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000895734868 619596575 /nfs/dbraw/zinc/59/65/75/619596575.db2.gz BEGLBTJBNHUUEC-AAEUAGOBSA-N 0 3 272.396 2.755 20 30 CFEDHN N#Cc1cc(CN2CCCCCCNC(=O)CC2)cs1 ZINC000895751793 619599348 /nfs/dbraw/zinc/59/93/48/619599348.db2.gz YEWFQZQKMWZVKC-UHFFFAOYSA-N 0 3 291.420 2.502 20 30 CFEDHN C#CCN(C[C@H]1CCN(c2ccccc2)C1)C1CSC1 ZINC000895814066 619613428 /nfs/dbraw/zinc/61/34/28/619613428.db2.gz KKRDELPGVICAGP-OAHLLOKOSA-N 0 3 286.444 2.564 20 30 CFEDHN CN1Cc2ccccc2[C@H]1CNCC#Cc1ccccc1 ZINC000895840325 619616499 /nfs/dbraw/zinc/61/64/99/619616499.db2.gz QIIRGZNNIPQVJS-LJQANCHMSA-N 0 3 276.383 2.814 20 30 CFEDHN C=CCC1(O)CCN(Cc2c(C)cccc2OC)CC1 ZINC000895833953 619619668 /nfs/dbraw/zinc/61/96/68/619619668.db2.gz GNYYQKWKBXUIQR-UHFFFAOYSA-N 0 3 275.392 2.907 20 30 CFEDHN C=CCC1(O)CCN(Cc2cc3cccnc3o2)CC1 ZINC000895834682 619619878 /nfs/dbraw/zinc/61/98/78/619619878.db2.gz OQGWOGABQHQUCS-UHFFFAOYSA-N 0 3 272.348 2.731 20 30 CFEDHN C=CCOc1ccc(CN2CCO[C@H](C)CC2)cc1 ZINC000896583758 619766616 /nfs/dbraw/zinc/76/66/16/619766616.db2.gz GIWDPQJPZKOBPC-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN CCCCCCCCC(=O)N1CCNC(C)(C)C1 ZINC000148053578 619820283 /nfs/dbraw/zinc/82/02/83/619820283.db2.gz APVIKQDKPZBITQ-UHFFFAOYSA-N 0 3 254.418 2.947 20 30 CFEDHN FC(F)(F)CN1CCC[C@H]1CNCC#Cc1ccccc1 ZINC000896834272 619835256 /nfs/dbraw/zinc/83/52/56/619835256.db2.gz PFZWMJDCQRKTES-HNNXBMFYSA-N 0 3 296.336 2.654 20 30 CFEDHN C[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)CCS1 ZINC000896953190 619903870 /nfs/dbraw/zinc/90/38/70/619903870.db2.gz WDLGOUOJKZVZPF-CABZTGNLSA-N 0 3 281.812 2.980 20 30 CFEDHN C#CCN(Cc1ccc(O[C@@H]2CCOC2)cc1)C(C)C ZINC000897171235 619943923 /nfs/dbraw/zinc/94/39/23/619943923.db2.gz SZHKHVJBGAYEPL-QGZVFWFLSA-N 0 3 273.376 2.698 20 30 CFEDHN CC#CCN(CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000121295101 619962326 /nfs/dbraw/zinc/96/23/26/619962326.db2.gz OVCLXDJZCMMLEM-MRXNPFEDSA-N 0 3 263.356 2.840 20 30 CFEDHN C[C@@H]1C[C@H]1c1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897398340 620095927 /nfs/dbraw/zinc/09/59/27/620095927.db2.gz BASKKUMMIGDABX-IUODEOHRSA-N 0 3 296.374 2.871 20 30 CFEDHN N#Cc1cc(CNC[C@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000897501215 620192463 /nfs/dbraw/zinc/19/24/63/620192463.db2.gz PIJVBFZFQIJFCK-OCCSQVGLSA-N 0 3 262.378 2.667 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](O)c1ccc(F)cc1 ZINC000078877803 620223587 /nfs/dbraw/zinc/22/35/87/620223587.db2.gz WEHFNHHZDNXMLC-KRWDZBQOSA-N 0 3 299.345 2.661 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000988926289 620227374 /nfs/dbraw/zinc/22/73/74/620227374.db2.gz GLKSMZUQDHCCNJ-KSSFIOAISA-N 0 3 296.414 2.780 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2coc3c2cccc3C)C1 ZINC000988957592 620227881 /nfs/dbraw/zinc/22/78/81/620227881.db2.gz ZNUBWDWEANOOEB-ZIAGYGMSSA-N 0 3 296.370 2.567 20 30 CFEDHN C[C@H](CNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000897629278 620263848 /nfs/dbraw/zinc/26/38/48/620263848.db2.gz SXGFNRYOBBISMI-LBPRGKRZSA-N 0 3 271.389 2.983 20 30 CFEDHN C[C@H](CCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000897629886 620264003 /nfs/dbraw/zinc/26/40/03/620264003.db2.gz ZYSVMXVGJZKWAZ-SSDOTTSWSA-N 0 3 263.288 2.835 20 30 CFEDHN CCO[C@]12CCC[C@@]1(NCc1ccc(C#N)cc1)CCO2 ZINC000897977087 620317422 /nfs/dbraw/zinc/31/74/22/620317422.db2.gz GAXYESZHODYDTL-SJORKVTESA-N 0 3 286.375 2.724 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000989500252 620379777 /nfs/dbraw/zinc/37/97/77/620379777.db2.gz IVSIPYPKWNPRSS-HNNXBMFYSA-N 0 3 290.407 2.884 20 30 CFEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000989586942 620382638 /nfs/dbraw/zinc/38/26/38/620382638.db2.gz NJWKNDAMMSIEHR-YOEHRIQHSA-N 0 3 298.430 2.810 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)(C)C)c2)C1 ZINC000989586939 620382815 /nfs/dbraw/zinc/38/28/15/620382815.db2.gz NJWKNDAMMSIEHR-PBHICJAKSA-N 0 3 298.430 2.810 20 30 CFEDHN C#CCCN1CCCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000989609349 620383082 /nfs/dbraw/zinc/38/30/82/620383082.db2.gz YCQZCGYCOFWHSW-KRWDZBQOSA-N 0 3 298.430 2.738 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000989681133 620385998 /nfs/dbraw/zinc/38/59/98/620385998.db2.gz WVYOXXOXDBUUSM-KDOFPFPSSA-N 0 3 296.414 2.780 20 30 CFEDHN C=C[C@H](C(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000989720467 620387885 /nfs/dbraw/zinc/38/78/85/620387885.db2.gz VLDKNWCGXKRQQM-INIZCTEOSA-N 0 3 272.392 2.510 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000989835261 620393877 /nfs/dbraw/zinc/39/38/77/620393877.db2.gz PTHMBQXGQRFRLD-DZGCQCFKSA-N 0 3 296.370 2.567 20 30 CFEDHN C=C(C)CN1CC[C@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989913604 620401993 /nfs/dbraw/zinc/40/19/93/620401993.db2.gz UBKAFTIHVCVSJF-GDBMZVCRSA-N 0 3 274.364 2.583 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989920128 620402749 /nfs/dbraw/zinc/40/27/49/620402749.db2.gz ZHQVHZHZIAVFPI-AEFFLSMTSA-N 0 3 288.435 2.703 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3ccoc3C)CCC[C@@H]12 ZINC000989940345 620403687 /nfs/dbraw/zinc/40/36/87/620403687.db2.gz SRWDGOSXXKEXIS-GDBMZVCRSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3Cl)CCC[C@@H]12 ZINC000990376338 620416400 /nfs/dbraw/zinc/41/64/00/620416400.db2.gz QBUTVKBADVTEBL-DOMZBBRYSA-N 0 3 294.782 2.846 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3coc(C)c3)CCC[C@H]12 ZINC000990418792 620419977 /nfs/dbraw/zinc/41/99/77/620419977.db2.gz MVMOIGKUYFQLIP-HOCLYGCPSA-N 0 3 274.364 2.501 20 30 CFEDHN CC#CCN1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990546508 620429834 /nfs/dbraw/zinc/42/98/34/620429834.db2.gz RLZLUCAQHRJLQY-YJBOKZPZSA-N 0 3 288.435 2.559 20 30 CFEDHN COCCOc1ccc(CN[C@H](C)CC(C)(C)C#N)cn1 ZINC000924692006 620441915 /nfs/dbraw/zinc/44/19/15/620441915.db2.gz JVVJMXMAZUSZMX-CYBMUJFWSA-N 0 3 291.395 2.525 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CNC/C=C\Cl)cc1 ZINC000898437208 620464778 /nfs/dbraw/zinc/46/47/78/620464778.db2.gz YOVPEVQKVYDDDO-JNWMYZIBSA-N 0 3 250.729 2.820 20 30 CFEDHN N#Cc1ccc(CNCCOC2CCSCC2)s1 ZINC000898441970 620465088 /nfs/dbraw/zinc/46/50/88/620465088.db2.gz HEEYZMPONYXUNP-UHFFFAOYSA-N 0 3 282.434 2.622 20 30 CFEDHN C=CC(C)(C)NCc1cc(OC)c(OC)cc1OC ZINC000898458041 620466982 /nfs/dbraw/zinc/46/69/82/620466982.db2.gz VSIHWHLGSWOAJQ-UHFFFAOYSA-N 0 3 265.353 2.767 20 30 CFEDHN Cc1cc(C#N)cc(C)c1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000899223655 620534759 /nfs/dbraw/zinc/53/47/59/620534759.db2.gz MIPKJTSDNJPHDV-OAHLLOKOSA-N 0 3 299.418 2.778 20 30 CFEDHN CSCc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000899379929 620558240 /nfs/dbraw/zinc/55/82/40/620558240.db2.gz DFXQEMXDMAFTRG-JLATVTFTSA-N 0 3 285.372 2.982 20 30 CFEDHN N#Cc1ccc([C@@H](NC[C@@H]2CCC=CCCC2)C(N)=O)cc1 ZINC000901673793 620881733 /nfs/dbraw/zinc/88/17/33/620881733.db2.gz ZVARTESPCDWXHP-NVXWUHKLSA-N 0 3 297.402 2.811 20 30 CFEDHN C[C@@H](NCCSC(F)(F)F)c1cc(C#N)ccn1 ZINC000902756245 621165738 /nfs/dbraw/zinc/16/57/38/621165738.db2.gz DGYBSVJXKNPENE-MRVPVSSYSA-N 0 3 275.299 2.857 20 30 CFEDHN C[C@H](NC[C@@](C)(O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902804344 621175219 /nfs/dbraw/zinc/17/52/19/621175219.db2.gz OUQLRYIALSIOIJ-SUMWQHHRSA-N 0 3 281.359 2.512 20 30 CFEDHN CC[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000903017856 621222252 /nfs/dbraw/zinc/22/22/52/621222252.db2.gz ZFRSHLOFJDOMNB-YESZJQIVSA-N 0 3 297.402 2.752 20 30 CFEDHN Cc1cnc(CCN[C@@H](C)c2cc(C#N)ccn2)c(C)c1 ZINC000903042977 621232955 /nfs/dbraw/zinc/23/29/55/621232955.db2.gz MPWWAFRUVKUBTC-AWEZNQCLSA-N 0 3 280.375 2.858 20 30 CFEDHN CO[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)CC(C)C ZINC000903024727 621233930 /nfs/dbraw/zinc/23/39/30/621233930.db2.gz NLQHZPOCKVVKLN-GXTWGEPZSA-N 0 3 261.369 2.665 20 30 CFEDHN C[C@H](NCCC1SCCS1)c1cc(C#N)ccn1 ZINC000903056534 621235474 /nfs/dbraw/zinc/23/54/74/621235474.db2.gz QFUYISUZFXYJMX-JTQLQIEISA-N 0 3 279.434 2.800 20 30 CFEDHN CC[C@H](N[C@H](C)[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000903077211 621244309 /nfs/dbraw/zinc/24/43/09/621244309.db2.gz FUBHZIXYQUVSIX-JIMOISOXSA-N 0 3 286.297 2.911 20 30 CFEDHN C=C[C@H](C)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903109675 621256854 /nfs/dbraw/zinc/25/68/54/621256854.db2.gz HOBYVXBWUGWHMB-VHSXEESVSA-N 0 3 250.298 2.829 20 30 CFEDHN COc1cc([C@H](C)NCCCC#N)cc([N+](=O)[O-])c1 ZINC000903147086 621268580 /nfs/dbraw/zinc/26/85/80/621268580.db2.gz DXRJHINOYBEULC-JTQLQIEISA-N 0 3 263.297 2.558 20 30 CFEDHN C[C@H](NCc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903198378 621282854 /nfs/dbraw/zinc/28/28/54/621282854.db2.gz KAFPIDIVVVEQOW-ZDUSSCGKSA-N 0 3 280.375 2.870 20 30 CFEDHN C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)c1cc(C#N)ccn1 ZINC000903250575 621298954 /nfs/dbraw/zinc/29/89/54/621298954.db2.gz AXMBIZKMOFKSBQ-HZUKXOBISA-N 0 3 271.364 2.561 20 30 CFEDHN N#C[C@H]1CC[C@H](NC2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000903293098 621312324 /nfs/dbraw/zinc/31/23/24/621312324.db2.gz ARWJJFQVZMFKJC-JSGCOSHPSA-N 0 3 284.359 2.729 20 30 CFEDHN CO[C@]1(CN[C@H](C)c2ccc(C#N)cc2F)CCSC1 ZINC000903314992 621329070 /nfs/dbraw/zinc/32/90/70/621329070.db2.gz RDNMTYZODSAAJX-ABAIWWIYSA-N 0 3 294.395 2.870 20 30 CFEDHN C=CCC[C@@H](NCc1cn(C)cn1)[C@]1(C)CCCCO1 ZINC000903351347 621343362 /nfs/dbraw/zinc/34/33/62/621343362.db2.gz JXJMYMHDRKCZKN-CVEARBPZSA-N 0 3 277.412 2.804 20 30 CFEDHN N#Cc1sccc1-c1cccc([C@@H]2CNCCO2)c1 ZINC000904895489 621673568 /nfs/dbraw/zinc/67/35/68/621673568.db2.gz PQWKBBMTAUANFJ-AWEZNQCLSA-N 0 3 270.357 2.948 20 30 CFEDHN CCOc1ccc(/C=C2/C(=O)c3ncnn3C2C)cc1 ZINC000905080941 621690788 /nfs/dbraw/zinc/69/07/88/621690788.db2.gz ONJHNBHGSJIWNP-SEEODLKFSA-N 0 3 269.304 2.518 20 30 CFEDHN CC1/C(=C/c2ccccc2OCC2CC2)C(=O)c2ncnn21 ZINC000905080265 621691052 /nfs/dbraw/zinc/69/10/52/621691052.db2.gz JQTYLLRYCAIULN-KSSSLANASA-N 0 3 295.342 2.908 20 30 CFEDHN CCOc1cccc(/C=C2\C(=O)c3ncnn3C2C)c1 ZINC000905080178 621691120 /nfs/dbraw/zinc/69/11/20/621691120.db2.gz IUAIAPKSHZDGRX-AAIQCTMTSA-N 0 3 269.304 2.518 20 30 CFEDHN Cc1ccc(/C=C2\C(=O)c3ncnn3C2C)cc1C ZINC000905079653 621691124 /nfs/dbraw/zinc/69/11/24/621691124.db2.gz DFFHFHISAIWZAC-NUBYWOLOSA-N 0 3 253.305 2.736 20 30 CFEDHN CC1/C(=C\c2cccc(C3CC3)c2)C(=O)c2ncnn21 ZINC000905083464 621692231 /nfs/dbraw/zinc/69/22/31/621692231.db2.gz DKMOCUSINKGJOY-WWNSAXIVSA-N 0 3 265.316 2.996 20 30 CFEDHN CC1/C(=C\c2cccc(C3CC3)c2)C(=O)c2ncnn21 ZINC000905083458 621692331 /nfs/dbraw/zinc/69/23/31/621692331.db2.gz DKMOCUSINKGJOY-CEITULEQSA-N 0 3 265.316 2.996 20 30 CFEDHN CCOc1cccc(F)c1/C=C1\C(=O)c2ncnn2C1C ZINC000905087374 621692649 /nfs/dbraw/zinc/69/26/49/621692649.db2.gz XSASDLCHGGDHDP-CBFJXKFUSA-N 0 3 287.294 2.657 20 30 CFEDHN CC[C@](O)(CN[C@H]1CCc2cc(C#N)ccc21)C(F)(F)F ZINC000905236050 621731638 /nfs/dbraw/zinc/73/16/38/621731638.db2.gz DHOLNPWLQSLQDQ-KBPBESRZSA-N 0 3 298.308 2.839 20 30 CFEDHN c1cc2ncnc(N=NC3C[C@H]4CCCN(C3)C4)c2s1 ZINC000905455309 621776075 /nfs/dbraw/zinc/77/60/75/621776075.db2.gz GLGYPCIOQOLQGP-SNVBAGLBSA-N 0 3 287.392 2.575 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@@H](O)CC2CCCC2)c1 ZINC000905518641 621788385 /nfs/dbraw/zinc/78/83/85/621788385.db2.gz NBKXRWYHPUHGCK-HNNXBMFYSA-N 0 3 276.355 2.728 20 30 CFEDHN N#CCC[C@@H](C#N)CN[C@H]1CCCc2ccccc2C1 ZINC000905656345 621810055 /nfs/dbraw/zinc/81/00/55/621810055.db2.gz MQORITWDSIUJTN-YOEHRIQHSA-N 0 3 267.376 2.967 20 30 CFEDHN CCC[C@H](C)CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000905777839 621845652 /nfs/dbraw/zinc/84/56/52/621845652.db2.gz PSUMWTMPYCZOMA-WFASDCNBSA-N 0 3 273.380 2.501 20 30 CFEDHN CC[C@@](O)(CN[C@H](C)c1ccc(C#N)cc1)C(F)(F)F ZINC000905906234 621894820 /nfs/dbraw/zinc/89/48/20/621894820.db2.gz RNHKTBMSQVNVBN-ZWNOBZJWSA-N 0 3 286.297 2.912 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015860134 625530514 /nfs/dbraw/zinc/53/05/14/625530514.db2.gz JKRDTIYKSXJFLW-YJBOKZPZSA-N 0 3 298.430 2.566 20 30 CFEDHN N#Cc1c(F)cccc1-c1cnc([C@H]2CCCN2)nc1 ZINC000906177432 621945384 /nfs/dbraw/zinc/94/53/84/621945384.db2.gz TUYDYAIZKOWOQU-CQSZACIVSA-N 0 3 268.295 2.579 20 30 CFEDHN C=CC[C@H](CC)NC(=O)C(C)(C)N1CCCCC1 ZINC000907963354 622177902 /nfs/dbraw/zinc/17/79/02/622177902.db2.gz SXQOYMMHKKKXQC-ZDUSSCGKSA-N 0 3 252.402 2.722 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910281379 622424729 /nfs/dbraw/zinc/42/47/29/622424729.db2.gz XKJHWIWNUWYZMB-UKRRQHHQSA-N 0 3 252.402 2.531 20 30 CFEDHN CCN1CCCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@H](C)C1 ZINC000910271017 622421976 /nfs/dbraw/zinc/42/19/76/622421976.db2.gz UCMXIWKHOXCYOA-OAHLLOKOSA-N 0 3 299.418 2.731 20 30 CFEDHN CC(C)(C(=O)NCc1ccc(CC#N)cc1)N1CCCCC1 ZINC000911493793 622523625 /nfs/dbraw/zinc/52/36/25/622523625.db2.gz OOJHQBXTRUSICW-UHFFFAOYSA-N 0 3 299.418 2.633 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819730317 622549058 /nfs/dbraw/zinc/54/90/58/622549058.db2.gz VPSJEMCBKNZDRR-NWDGAFQWSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819730317 622549061 /nfs/dbraw/zinc/54/90/61/622549061.db2.gz VPSJEMCBKNZDRR-NWDGAFQWSA-N 0 3 271.368 2.557 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)Nc1nncs1 ZINC000911900087 622566756 /nfs/dbraw/zinc/56/67/56/622566756.db2.gz ORXPCAGUZXDLEO-SNVBAGLBSA-N 0 3 270.402 2.555 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1c2ccccc2C[C@H]1C ZINC000911892559 622570902 /nfs/dbraw/zinc/57/09/02/622570902.db2.gz YHFNNMSIWUUKDV-OCCSQVGLSA-N 0 3 258.365 2.648 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1c2ccccc2C[C@@H]1C ZINC000911892558 622571143 /nfs/dbraw/zinc/57/11/43/622571143.db2.gz YHFNNMSIWUUKDV-JSGCOSHPSA-N 0 3 258.365 2.648 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccccc1Cl ZINC000911906385 622580219 /nfs/dbraw/zinc/58/02/19/622580219.db2.gz CZWWSILGZXPGGK-LLVKDONJSA-N 0 3 252.745 2.962 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccn1 ZINC000819952363 622582700 /nfs/dbraw/zinc/58/27/00/622582700.db2.gz QTFKGHBDRACMFO-RYUDHWBXSA-N 0 3 294.314 2.852 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000911951051 622588199 /nfs/dbraw/zinc/58/81/99/622588199.db2.gz GECHEFSTLYSDNA-LBPRGKRZSA-N 0 3 282.771 2.971 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCc1c[nH]c2ccccc12 ZINC000911936481 622591739 /nfs/dbraw/zinc/59/17/39/622591739.db2.gz BRRJPOWYQWMTSC-OAHLLOKOSA-N 0 3 285.391 2.510 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(CC)Cc1ccccc1 ZINC000911940656 622594344 /nfs/dbraw/zinc/59/43/44/622594344.db2.gz SZTKXHFFNANWFY-HNNXBMFYSA-N 0 3 260.381 2.719 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N[C@H](C)c1ccccc1C ZINC000912045239 622617396 /nfs/dbraw/zinc/61/73/96/622617396.db2.gz NQAJPRREGMXARH-UKRRQHHQSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccccc1C ZINC000912045237 622617499 /nfs/dbraw/zinc/61/74/99/622617499.db2.gz NQAJPRREGMXARH-HIFRSBDPSA-N 0 3 260.381 2.856 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000912079531 622625716 /nfs/dbraw/zinc/62/57/16/622625716.db2.gz OLOHGDOUELITCE-UKRRQHHQSA-N 0 3 260.381 2.890 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000912079528 622625757 /nfs/dbraw/zinc/62/57/57/622625757.db2.gz OLOHGDOUELITCE-DZGCQCFKSA-N 0 3 260.381 2.890 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@@H](C)c1cc(C)ccc1OC ZINC000912114376 622630548 /nfs/dbraw/zinc/63/05/48/622630548.db2.gz IEZBAGVAGPJYQZ-ZFWWWQNUSA-N 0 3 290.407 2.864 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000912159060 622639592 /nfs/dbraw/zinc/63/95/92/622639592.db2.gz JTYCEEGSBLFVLJ-OAHLLOKOSA-N 0 3 272.392 2.866 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000912197066 622659945 /nfs/dbraw/zinc/65/99/45/622659945.db2.gz GEMOIBUEWDVBEP-SRVKXCTJSA-N 0 3 292.345 2.907 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000912205985 622660907 /nfs/dbraw/zinc/66/09/07/622660907.db2.gz CEIIQJMXNMCTMP-HZPDHXFCSA-N 0 3 272.392 2.816 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000912342022 622690025 /nfs/dbraw/zinc/69/00/25/622690025.db2.gz GRIFALSFKBQFFB-MJBXVCDLSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1cccc(Cl)c1OC ZINC000912264514 622668134 /nfs/dbraw/zinc/66/81/34/622668134.db2.gz DVJLOVSEADYYAH-NSHDSACASA-N 0 3 282.771 2.971 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cc(F)ccc1F ZINC000912342178 622689815 /nfs/dbraw/zinc/68/98/15/622689815.db2.gz HTQICUWHZQTXIX-YGRLFVJLSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1CC(C)C ZINC000912393214 622703505 /nfs/dbraw/zinc/70/35/05/622703505.db2.gz HXXRYHIOLMTAKF-ZIAGYGMSSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N(C(C)C)C1CCCC1 ZINC000912461237 622714457 /nfs/dbraw/zinc/71/44/57/622714457.db2.gz DFQCKPOAPJFZTM-AWEZNQCLSA-N 0 3 252.402 2.850 20 30 CFEDHN CCCCCCCC[C@@H](N)C(=O)NCC(F)(F)F ZINC000912452118 622718906 /nfs/dbraw/zinc/71/89/06/622718906.db2.gz IEPNEWSOYNFJTK-SNVBAGLBSA-N 0 3 268.323 2.743 20 30 CFEDHN C[C@]1(C#N)CCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000912707124 622764185 /nfs/dbraw/zinc/76/41/85/622764185.db2.gz KGUSHHLRHOEOQC-QGZVFWFLSA-N 0 3 296.374 2.667 20 30 CFEDHN CCCCCCCC(=O)N1CC[C@H](N2CCC2)C1 ZINC000912923119 622799351 /nfs/dbraw/zinc/79/93/51/622799351.db2.gz ZTTHBSGYMNKHRP-AWEZNQCLSA-N 0 3 252.402 2.654 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(Br)cc1 ZINC000229510576 623209507 /nfs/dbraw/zinc/20/95/07/623209507.db2.gz MOBJKGYNTAQKSG-GFCCVEGCSA-N 0 3 252.155 2.951 20 30 CFEDHN C#CCOc1ccc(CNCc2ccc(CO)c(F)c2)cc1 ZINC000172115470 623261025 /nfs/dbraw/zinc/26/10/25/623261025.db2.gz SFDZDBWRNVLRHQ-UHFFFAOYSA-N 0 3 299.345 2.620 20 30 CFEDHN C=CCN(Cc1cc(C(=O)OCC)c(C)[nH]1)C(C)C ZINC000823409340 623311211 /nfs/dbraw/zinc/31/12/11/623311211.db2.gz YNWXJMNNMNFFKQ-UHFFFAOYSA-N 0 3 264.369 2.896 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000823499731 623334603 /nfs/dbraw/zinc/33/46/03/623334603.db2.gz NZYBEQCNLMKTEA-UONOGXRCSA-N 0 3 252.402 2.531 20 30 CFEDHN C#CCCCN1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823509189 623336927 /nfs/dbraw/zinc/33/69/27/623336927.db2.gz IOHNGUYHOJUYQF-KBPBESRZSA-N 0 3 265.397 2.842 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cocc3C)CCC[C@@H]12 ZINC000992133778 623464781 /nfs/dbraw/zinc/46/47/81/623464781.db2.gz RJTQGGSANMPSTG-GDBMZVCRSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)[C@H](C)c3ccco3)CCC[C@@H]12 ZINC000992166801 623476045 /nfs/dbraw/zinc/47/60/45/623476045.db2.gz IQBRLFQQKMSLQU-FRFSOERESA-N 0 3 288.391 2.682 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3occc3CC)CCC[C@@H]12 ZINC000992170715 623476833 /nfs/dbraw/zinc/47/68/33/623476833.db2.gz KONUEHIDTMMUKV-PBHICJAKSA-N 0 3 288.391 2.755 20 30 CFEDHN C=CCCCCC[C@H](C)NCc1nnc(CC)[nH]1 ZINC000824446189 623507074 /nfs/dbraw/zinc/50/70/74/623507074.db2.gz RMCHHOSFCZSDLL-LBPRGKRZSA-N 0 3 250.390 2.982 20 30 CFEDHN C[C@@H](N[C@@H](C)CC(C)(C)C#N)C(=O)Nc1ccccc1 ZINC000925391376 623526474 /nfs/dbraw/zinc/52/64/74/623526474.db2.gz XEHIUCRCLFJIBO-QWHCGFSZSA-N 0 3 273.380 2.932 20 30 CFEDHN C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000824657373 623540974 /nfs/dbraw/zinc/54/09/74/623540974.db2.gz DYPQDTQDXATULN-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN CCN(Cc1cncc(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC000929748863 623547596 /nfs/dbraw/zinc/54/75/96/623547596.db2.gz LBMWOQGWWVHGLC-SFHVURJKSA-N 0 3 295.386 2.817 20 30 CFEDHN Cc1ccc([C@@H](CNC(=O)C#CC(C)C)N2CCCC2)cc1 ZINC000824702938 623548833 /nfs/dbraw/zinc/54/88/33/623548833.db2.gz UQUPBFYJVPKFTN-GOSISDBHSA-N 0 3 298.430 2.908 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc(Cl)nc2)o1 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276.405 2.604 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC001000781453 626132168 /nfs/dbraw/zinc/13/21/68/626132168.db2.gz LNLQJYNFMRTEJP-UHFFFAOYSA-N 0 3 292.329 2.513 20 30 CFEDHN CO[C@H](CNCc1csc(C#N)c1)C(C)(C)C ZINC000921805018 626134007 /nfs/dbraw/zinc/13/40/07/626134007.db2.gz BLGMCSFBERBHSX-GFCCVEGCSA-N 0 3 252.383 2.770 20 30 CFEDHN C=CCN1CC=C(CNC(=O)c2c(C)cccc2F)CC1 ZINC001001494480 626158848 /nfs/dbraw/zinc/15/88/48/626158848.db2.gz QNWGACTZVVCQML-UHFFFAOYSA-N 0 3 288.366 2.682 20 30 CFEDHN C=CCN1CC=C(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001001485931 626159224 /nfs/dbraw/zinc/15/92/24/626159224.db2.gz IKGBUMUFAHYPCJ-HUUCEWRRSA-N 0 3 290.451 2.993 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001001564617 626160390 /nfs/dbraw/zinc/16/03/90/626160390.db2.gz SHRVOFBKSVWRJO-DLBZAZTESA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001001744104 626162481 /nfs/dbraw/zinc/16/24/81/626162481.db2.gz VVMKVAHQPYMUHY-INIZCTEOSA-N 0 3 290.451 2.664 20 30 CFEDHN CC#CCN1CCC(CNC(=O)c2ccccc2CC)CC1 ZINC001001772592 626162776 /nfs/dbraw/zinc/16/27/76/626162776.db2.gz LMYSPCHIQAWZMF-UHFFFAOYSA-N 0 3 298.430 2.714 20 30 CFEDHN N#Cc1cc(CNC[C@H]2COC3(CCCCC3)O2)cs1 ZINC000921967770 626187761 /nfs/dbraw/zinc/18/77/61/626187761.db2.gz IUXBNPQQNRHLKJ-ZDUSSCGKSA-N 0 3 292.404 2.785 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1csc(C#N)c1)OC ZINC000922153327 626218870 /nfs/dbraw/zinc/21/88/70/626218870.db2.gz GLINZWQAJGFCHZ-GXFFZTMASA-N 0 3 252.383 2.770 20 30 CFEDHN Cc1cc(C#N)cc(C)c1CNCc1ccc[nH]c1=O ZINC000922294568 626262220 /nfs/dbraw/zinc/26/22/20/626262220.db2.gz BVJNCGUXSVKZNR-UHFFFAOYSA-N 0 3 267.332 2.566 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001003876759 626264662 /nfs/dbraw/zinc/26/46/62/626264662.db2.gz FQMWQDJFHDVRBN-DOTOQJQBSA-N 0 3 278.440 2.825 20 30 CFEDHN CCN1CCC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000922638275 626328951 /nfs/dbraw/zinc/32/89/51/626328951.db2.gz DPZQDSSOKMSBAF-INIZCTEOSA-N 0 3 299.418 2.588 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC001005569933 626417653 /nfs/dbraw/zinc/41/76/53/626417653.db2.gz QDBNIWQRDRJMDZ-CYBMUJFWSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2cocc2C)CC1 ZINC001005831719 626429099 /nfs/dbraw/zinc/42/90/99/626429099.db2.gz FPYAJPYTJWIGOZ-UHFFFAOYSA-N 0 3 276.380 2.701 20 30 CFEDHN C#CCC1(NCc2nc(Br)c[nH]2)CCCCC1 ZINC000922980753 626439007 /nfs/dbraw/zinc/43/90/07/626439007.db2.gz AXIJRKRQVUYZMB-UHFFFAOYSA-N 0 3 296.212 2.988 20 30 CFEDHN C#CCC1(NCc2cc(F)c(OC)cc2OC)CCC1 ZINC000922997896 626441152 /nfs/dbraw/zinc/44/11/52/626441152.db2.gz DIQWNBXPAILOSU-UHFFFAOYSA-N 0 3 277.339 2.879 20 30 CFEDHN N#Cc1ccc(CNC2([C@@H]3CCCCO3)CC2)cc1F ZINC000923028205 626443084 /nfs/dbraw/zinc/44/30/84/626443084.db2.gz NOXHJBKIAPMJGY-HNNXBMFYSA-N 0 3 274.339 2.889 20 30 CFEDHN COC(=O)/C=C(/C)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000929378584 626465690 /nfs/dbraw/zinc/46/56/90/626465690.db2.gz ACXFQJGHMZOSJM-ZROIWOOFSA-N 0 3 286.375 2.888 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(F)cc1Cl ZINC000838624457 626502207 /nfs/dbraw/zinc/50/22/07/626502207.db2.gz ZNNKSEKHRZJBIV-UHFFFAOYSA-N 0 3 297.761 2.556 20 30 CFEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103330202 626531390 /nfs/dbraw/zinc/53/13/90/626531390.db2.gz KZVWKIZRQFXDSO-HZPDHXFCSA-N 0 3 298.386 2.804 20 30 CFEDHN CC(C)[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000103330204 626531461 /nfs/dbraw/zinc/53/14/61/626531461.db2.gz KZVWKIZRQFXDSO-CVEARBPZSA-N 0 3 298.386 2.804 20 30 CFEDHN CC(C)(C)O[C@@H]1C[C@@H](NCC2(C#N)CC2)C1(C)C ZINC000839200080 626532162 /nfs/dbraw/zinc/53/21/62/626532162.db2.gz PTFBNIZMPSZDJC-VXGBXAGGSA-N 0 3 250.386 2.862 20 30 CFEDHN C#Cc1ccc(CN[C@@H](CO)c2sccc2C)cc1 ZINC000809625090 626541395 /nfs/dbraw/zinc/54/13/95/626541395.db2.gz YDGUCHJBHWVGEX-HNNXBMFYSA-N 0 3 271.385 2.861 20 30 CFEDHN C#CC[C@@H](Nc1cc(C)nc(N)n1)c1ccccc1 ZINC000756957069 626542716 /nfs/dbraw/zinc/54/27/16/626542716.db2.gz KSZPKCRZTMLXOE-CYBMUJFWSA-N 0 3 252.321 2.544 20 30 CFEDHN C#CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000757808016 626563643 /nfs/dbraw/zinc/56/36/43/626563643.db2.gz ZMJPAMMUHYVZNY-UHFFFAOYSA-N 0 3 299.418 2.571 20 30 CFEDHN C#CCCCC(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000758081006 626575891 /nfs/dbraw/zinc/57/58/91/626575891.db2.gz HBHGJYJEAIWREA-UHFFFAOYSA-N 0 3 284.403 2.917 20 30 CFEDHN C[C@H]1CC(N=Nc2ccccc2Br)CN1C ZINC000761803665 626859996 /nfs/dbraw/zinc/85/99/96/626859996.db2.gz DXKJNGLQTDHCPX-VIFPVBQESA-N 0 3 282.185 2.941 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CCSC3)nc21 ZINC000762088980 626889095 /nfs/dbraw/zinc/88/90/95/626889095.db2.gz VAXBPPNELSDQOC-GHMZBOCLSA-N 0 3 285.372 2.801 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763649422 627002369 /nfs/dbraw/zinc/00/23/69/627002369.db2.gz BJSUEZAOARYGPV-HNNXBMFYSA-N 0 3 271.360 2.770 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763649428 627002382 /nfs/dbraw/zinc/00/23/82/627002382.db2.gz BJSUEZAOARYGPV-OAHLLOKOSA-N 0 3 271.360 2.770 20 30 CFEDHN C#CCN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763949156 627024461 /nfs/dbraw/zinc/02/44/61/627024461.db2.gz HLOWFFGKZUQXKD-HNNXBMFYSA-N 0 3 297.320 2.706 20 30 CFEDHN Fc1cccc(C=NOCCN2CCCCC2)c1 ZINC000766686289 627214856 /nfs/dbraw/zinc/21/48/56/627214856.db2.gz XCYZRARMNDIFGT-UHFFFAOYSA-N 0 3 250.317 2.662 20 30 CFEDHN C#CCCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000766902315 627226256 /nfs/dbraw/zinc/22/62/56/627226256.db2.gz ZXVAQTSXELUHGB-ZIAGYGMSSA-N 0 3 280.412 2.730 20 30 CFEDHN C#CCCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000766913428 627226540 /nfs/dbraw/zinc/22/65/40/627226540.db2.gz QHWNNIIWLJBYCO-MRXNPFEDSA-N 0 3 286.375 2.512 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](F)c1ccccc1 ZINC000769285425 627418697 /nfs/dbraw/zinc/41/86/97/627418697.db2.gz ZBRJGJZHJGOANM-KGLIPLIRSA-N 0 3 290.338 2.712 20 30 CFEDHN CN(CCCCC(C)(C)C#N)CC(=O)NCc1ccco1 ZINC000769707831 627468060 /nfs/dbraw/zinc/46/80/60/627468060.db2.gz NHYXMNZNDZVBLW-UHFFFAOYSA-N 0 3 291.395 2.548 20 30 CFEDHN CC(C)(C#N)CCCCN1CCCC[C@@H]1C1OCCO1 ZINC000769734560 627471011 /nfs/dbraw/zinc/47/10/11/627471011.db2.gz VMUFIKULPXJAES-CQSZACIVSA-N 0 3 280.412 2.934 20 30 CFEDHN Cc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000769944307 627489709 /nfs/dbraw/zinc/48/97/09/627489709.db2.gz MGGWZWWXZXKYIG-DGCLKSJQSA-N 0 3 259.309 2.685 20 30 CFEDHN CCC1(CC)[C@H](NC[C@H](C#N)CCC#N)[C@@H](C)[C@@H]1OC ZINC000770623979 627535066 /nfs/dbraw/zinc/53/50/66/627535066.db2.gz RTWGSPUZDSZYJR-BARDWOONSA-N 0 3 277.412 2.859 20 30 CFEDHN C#CCOCCN1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000851918785 634587939 /nfs/dbraw/zinc/58/79/39/634587939.db2.gz DFCHXGLXIRPZIV-ZIAGYGMSSA-N 0 3 273.376 2.653 20 30 CFEDHN Cc1ccc2ncc(CNCc3ccc(C#N)cc3)n2c1 ZINC000771943491 627651830 /nfs/dbraw/zinc/65/18/30/627651830.db2.gz MGLHGBLDRXPTJI-UHFFFAOYSA-N 0 3 276.343 2.804 20 30 CFEDHN C=CCN(C(=O)CN(C)CCCCCC)C1CC1 ZINC000772894905 627757117 /nfs/dbraw/zinc/75/71/17/627757117.db2.gz DMCJITVYTIBIAS-UHFFFAOYSA-N 0 3 252.402 2.676 20 30 CFEDHN C=C(Cl)CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772999128 627766810 /nfs/dbraw/zinc/76/68/10/627766810.db2.gz IEALHNORXQWXEI-UHFFFAOYSA-N 0 3 295.770 2.906 20 30 CFEDHN C#C[C@H](NCCSc1cccc(OC)c1)[C@@H]1CCCO1 ZINC000851949729 634604048 /nfs/dbraw/zinc/60/40/48/634604048.db2.gz IIHWEVOJBRZCGP-HOTGVXAUSA-N 0 3 291.416 2.558 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccc3c2OCCO3)C1 ZINC000774242657 627907735 /nfs/dbraw/zinc/90/77/35/627907735.db2.gz HUCBEMDYMJFBJX-GXTWGEPZSA-N 0 3 272.348 2.630 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000851996561 634620842 /nfs/dbraw/zinc/62/08/42/634620842.db2.gz VYWDVHYKQXLQIN-OAGGEKHMSA-N 0 3 271.408 2.774 20 30 CFEDHN C#CCNC(=O)CN[C@@H](CCCCC)c1ccccc1 ZINC000775320937 628009511 /nfs/dbraw/zinc/00/95/11/628009511.db2.gz YBORKCFLNATHFQ-INIZCTEOSA-N 0 3 272.392 2.647 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984927 628091665 /nfs/dbraw/zinc/09/16/65/628091665.db2.gz IGXILEMAPYTXEK-QLFBSQMISA-N 0 3 287.407 2.502 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)CCCc1ccccc1 ZINC000776076279 628099138 /nfs/dbraw/zinc/09/91/38/628099138.db2.gz DWVDVBZGPKBIRH-GDBMZVCRSA-N 0 3 298.386 2.656 20 30 CFEDHN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776610709 628164692 /nfs/dbraw/zinc/16/46/92/628164692.db2.gz VWYMEDLBSVTLTP-KBPBESRZSA-N 0 3 280.412 2.730 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@@](C)(O)CCC ZINC000778170750 628283145 /nfs/dbraw/zinc/28/31/45/628283145.db2.gz XLNNSJGSPZGSTK-INIZCTEOSA-N 0 3 295.810 2.993 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNC[C@H]1CCC[C@@H]1O ZINC000778173875 628283499 /nfs/dbraw/zinc/28/34/99/628283499.db2.gz ZPZOALAQHUATJK-DOMZBBRYSA-N 0 3 293.794 2.603 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC[C@H]1CCOC1 ZINC000778176667 628284326 /nfs/dbraw/zinc/28/43/26/628284326.db2.gz JRQYFNKMGFWXIT-ZDUSSCGKSA-N 0 3 293.794 2.868 20 30 CFEDHN N#CCCNC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000778234051 628290536 /nfs/dbraw/zinc/29/05/36/628290536.db2.gz IUVSTSKDBCJGFF-INIZCTEOSA-N 0 3 285.391 2.537 20 30 CFEDHN C=C(Cl)CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000779106020 628353274 /nfs/dbraw/zinc/35/32/74/628353274.db2.gz KORPBHSYHIXEHC-JQWIXIFHSA-N 0 3 288.819 2.974 20 30 CFEDHN C#C[C@](C)(CC)NCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000852097560 634650768 /nfs/dbraw/zinc/65/07/68/634650768.db2.gz QYMPQXLJGXQARW-YQQAZPJKSA-N 0 3 276.424 2.559 20 30 CFEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000852100077 634653982 /nfs/dbraw/zinc/65/39/82/634653982.db2.gz SXIXQQTYHQQWDO-WBMJQRKESA-N 0 3 292.810 2.736 20 30 CFEDHN C#C[C@](C)(CC)N[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000852100076 634654414 /nfs/dbraw/zinc/65/44/14/634654414.db2.gz SXIXQQTYHQQWDO-MLGOLLRUSA-N 0 3 292.810 2.736 20 30 CFEDHN COc1ccc(N=NC2C[C@@H](C)N(C)C2)cc1Cl ZINC000782231749 628617798 /nfs/dbraw/zinc/61/77/98/628617798.db2.gz XTXHPXJBCOFSCE-SECBINFHSA-N 0 3 267.760 2.841 20 30 CFEDHN C#C[C@H](N[C@H](C)Cc1ccccc1F)[C@H]1CCCO1 ZINC000783293558 628697868 /nfs/dbraw/zinc/69/78/68/628697868.db2.gz HIWOVMJYHLGGDS-UHOFOFEASA-N 0 3 261.340 2.527 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)c1ccccn1 ZINC000852192861 634685059 /nfs/dbraw/zinc/68/50/59/634685059.db2.gz VKWLOVATZQXOOM-DYVFJYSZSA-N 0 3 281.359 2.680 20 30 CFEDHN CC(C)(C)OC(=O)Nc1ccc(CNCCCC#N)cn1 ZINC000784621545 628831922 /nfs/dbraw/zinc/83/19/22/628831922.db2.gz KPGDXBGGWHFMRQ-UHFFFAOYSA-N 0 3 290.367 2.822 20 30 CFEDHN C#CCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000805766275 628836366 /nfs/dbraw/zinc/83/63/66/628836366.db2.gz FEIVSOWNLJSECM-UONOGXRCSA-N 0 3 261.390 2.510 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786314289 628947563 /nfs/dbraw/zinc/94/75/63/628947563.db2.gz STCKHHVSAVPTQC-CQSZACIVSA-N 0 3 297.358 2.836 20 30 CFEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786534330 628966681 /nfs/dbraw/zinc/96/66/81/628966681.db2.gz KASWBDMMMXEJHP-ZWNOBZJWSA-N 0 3 292.766 2.711 20 30 CFEDHN C=CCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786544954 628967775 /nfs/dbraw/zinc/96/77/75/628967775.db2.gz ZUCGWBZEKSLQGP-HNNXBMFYSA-N 0 3 284.359 2.676 20 30 CFEDHN C[C@@H](CC(=O)C(C#N)C(=O)N(C)Cc1ccccc1)C1CC1 ZINC000787074741 628991366 /nfs/dbraw/zinc/99/13/66/628991366.db2.gz XNLZEGJHDIGCRO-XJKSGUPXSA-N 0 3 298.386 2.790 20 30 CFEDHN C#CCC1(C(=O)NC[C@H]2CCCCN2CC)CCCCC1 ZINC000788210200 629050735 /nfs/dbraw/zinc/05/07/35/629050735.db2.gz FLUGOZCVTWDWDT-MRXNPFEDSA-N 0 3 290.451 2.951 20 30 CFEDHN C#CCC1(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CCCCC1 ZINC000788227243 629052104 /nfs/dbraw/zinc/05/21/04/629052104.db2.gz MKRFHPDFRMBEFT-CABCVRRESA-N 0 3 288.435 2.702 20 30 CFEDHN COc1cc(N=NC2CN(C)C[C@H]2C)ccc1Cl ZINC000788468963 629071717 /nfs/dbraw/zinc/07/17/17/629071717.db2.gz ZTLFFYWDBNLMPZ-SECBINFHSA-N 0 3 267.760 2.698 20 30 CFEDHN Cn1ccnc1N=NCc1cccc(OCCCC#N)c1 ZINC000790305218 629229120 /nfs/dbraw/zinc/22/91/20/629229120.db2.gz FONDKKGUROLKGX-UHFFFAOYSA-N 0 3 283.335 2.549 20 30 CFEDHN CN(CCCN1CCC[C@@H](CC#N)C1)C(=O)OC(C)(C)C ZINC000852319471 634719178 /nfs/dbraw/zinc/71/91/78/634719178.db2.gz NKCDJZOCFSUQMR-AWEZNQCLSA-N 0 3 295.427 2.869 20 30 CFEDHN C#CCN(CC)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791474046 629319957 /nfs/dbraw/zinc/31/99/57/629319957.db2.gz RTKVWWQYMLYSLR-GOSISDBHSA-N 0 3 267.372 2.698 20 30 CFEDHN C#CCOCCN(Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000852342832 634727671 /nfs/dbraw/zinc/72/76/71/634727671.db2.gz LPWOWFPGEKSNRG-QGZVFWFLSA-N 0 3 287.403 2.706 20 30 CFEDHN C[C@@H](NN=Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000793112577 629488485 /nfs/dbraw/zinc/48/84/85/629488485.db2.gz UUJSLHKGDRPKJL-CQSZACIVSA-N 0 3 289.423 2.881 20 30 CFEDHN CN(C)Cc1cccc(C(=O)OCC2(CC#N)CC2)c1 ZINC000835187288 629503314 /nfs/dbraw/zinc/50/33/14/629503314.db2.gz GXMUJBUBCQKMIQ-UHFFFAOYSA-N 0 3 272.348 2.599 20 30 CFEDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c([O-])c1 ZINC000793386428 629536000 /nfs/dbraw/zinc/53/60/00/629536000.db2.gz PWWSUVYVUDXHNI-YPMHNXCESA-N 0 3 260.337 2.573 20 30 CFEDHN CC1(C)CC(N=Nc2cncnc2)CN1Cc1ccccc1 ZINC000794979157 629715421 /nfs/dbraw/zinc/71/54/21/629715421.db2.gz CCJYXPFUABOOKK-UHFFFAOYSA-N 0 3 295.390 2.929 20 30 CFEDHN C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NC(C)(C)C ZINC000795328862 629761904 /nfs/dbraw/zinc/76/19/04/629761904.db2.gz JKBTTWQSJBBJSY-GDBMZVCRSA-N 0 3 286.419 2.514 20 30 CFEDHN COc1cccc([C@@]2(C)CCN(CCO[C@@H](C)C#N)C2)c1 ZINC000852535457 634773051 /nfs/dbraw/zinc/77/30/51/634773051.db2.gz DNWPBODKJAHMRZ-YOEHRIQHSA-N 0 3 288.391 2.587 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(F)F ZINC000796620848 629941712 /nfs/dbraw/zinc/94/17/12/629941712.db2.gz WJWGOXBCZKLTAC-SECBINFHSA-N 0 3 277.274 2.795 20 30 CFEDHN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796631699 629943251 /nfs/dbraw/zinc/94/32/51/629943251.db2.gz IIFHLNKNVGHNFH-PWSUYJOCSA-N 0 3 292.285 2.769 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCC(F)F)c1 ZINC000796634907 629943899 /nfs/dbraw/zinc/94/38/99/629943899.db2.gz VZYIHQCSRPDTBW-NSHDSACASA-N 0 3 280.274 2.688 20 30 CFEDHN C#CCCCCCCOC(=O)C1CCN(C2CC2)CC1 ZINC000835715368 629979021 /nfs/dbraw/zinc/97/90/21/629979021.db2.gz ZVVFXVNIPZPFHH-UHFFFAOYSA-N 0 3 277.408 2.988 20 30 CFEDHN C#CC[C@H](NC[C@H](O)c1ccc(F)cn1)c1ccccc1 ZINC000799314610 630296746 /nfs/dbraw/zinc/29/67/46/630296746.db2.gz MGFMDAIPXVCGSP-RDJZCZTQSA-N 0 3 284.334 2.608 20 30 CFEDHN Cc1ccccc1CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000103640303 630429498 /nfs/dbraw/zinc/42/94/98/630429498.db2.gz PKYAUZARORYQTC-MRXNPFEDSA-N 0 3 298.386 2.695 20 30 CFEDHN CC#CC(=O)N(CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000801138351 630430154 /nfs/dbraw/zinc/43/01/54/630430154.db2.gz PFCRFPQKHQAEPH-RDJZCZTQSA-N 0 3 284.403 2.694 20 30 CFEDHN CCCN(CCO[C@@H](C)C#N)Cc1ccccc1F ZINC000801914580 630483758 /nfs/dbraw/zinc/48/37/58/630483758.db2.gz XBDKZTJLZHLRAX-ZDUSSCGKSA-N 0 3 264.344 2.966 20 30 CFEDHN COc1ccc([C@H]2CCCN2CCO[C@@H](C)C#N)cc1 ZINC000801911567 630484926 /nfs/dbraw/zinc/48/49/26/630484926.db2.gz MOGZHXCZRKVIDS-XJKSGUPXSA-N 0 3 274.364 2.761 20 30 CFEDHN C[C@H](c1ccc(F)c(F)c1)N(C)CCO[C@@H](C)C#N ZINC000801910679 630485273 /nfs/dbraw/zinc/48/52/73/630485273.db2.gz PIOHWPZKHVNBTK-WDEREUQCSA-N 0 3 268.307 2.886 20 30 CFEDHN COc1cc(CN(C)CCO[C@H](C)C#N)ccc1SC ZINC000801914307 630486121 /nfs/dbraw/zinc/48/61/21/630486121.db2.gz BVXAEDIBZSAWTL-GFCCVEGCSA-N 0 3 294.420 2.778 20 30 CFEDHN C[C@@H](C#N)OCCN(CCC(F)(F)F)CC1CC1 ZINC000801925882 630489739 /nfs/dbraw/zinc/48/97/39/630489739.db2.gz KFIMLZPUYBAKJE-JTQLQIEISA-N 0 3 264.291 2.579 20 30 CFEDHN CC[C@H]1CN(c2ccccc2)CCN1CCO[C@@H](C)C#N ZINC000801941058 630493148 /nfs/dbraw/zinc/49/31/48/630493148.db2.gz HYIMDALPMCZVFY-HOTGVXAUSA-N 0 3 287.407 2.516 20 30 CFEDHN C[C@H](C#N)OCCN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000801955961 630495176 /nfs/dbraw/zinc/49/51/76/630495176.db2.gz YKBIVHOFSGGFRC-NEPJUHHUSA-N 0 3 290.329 2.970 20 30 CFEDHN CC#CCN1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009571 630497947 /nfs/dbraw/zinc/49/79/47/630497947.db2.gz XPVFLDQMGYMVLQ-KRWDZBQOSA-N 0 3 292.423 2.733 20 30 CFEDHN C=CCN1CCN(CN(C(CC)CC)C2CC2)C1=O ZINC000839967116 630530304 /nfs/dbraw/zinc/53/03/04/630530304.db2.gz DBHQUZJASUJIEG-UHFFFAOYSA-N 0 3 265.401 2.521 20 30 CFEDHN C#CCCN(CCOC)CCOc1ccc(SC)cc1 ZINC000852751483 634824265 /nfs/dbraw/zinc/82/42/65/634824265.db2.gz FCTBXXDNAUPTPK-UHFFFAOYSA-N 0 3 293.432 2.759 20 30 CFEDHN C#CCCN(CCOC)CCOc1ccc(F)cc1Cl ZINC000852751304 634824853 /nfs/dbraw/zinc/82/48/53/634824853.db2.gz WROSGWYMCSVSFP-UHFFFAOYSA-N 0 3 299.773 2.830 20 30 CFEDHN C#CCCN(CCOC)Cc1cccc(SC)c1 ZINC000852750566 634824865 /nfs/dbraw/zinc/82/48/65/634824865.db2.gz YQKZTXNIBNFBEE-UHFFFAOYSA-N 0 3 263.406 2.880 20 30 CFEDHN C=CCN1CCN(CN2CCC3(C2)CCCCC3)C1=O ZINC000840009804 630630463 /nfs/dbraw/zinc/63/04/63/630630463.db2.gz JZZISOWRSNJPMA-UHFFFAOYSA-N 0 3 277.412 2.524 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(F)c(Cl)c1 ZINC000836217339 630773148 /nfs/dbraw/zinc/77/31/48/630773148.db2.gz QEJDJVWQAXJVLJ-UHFFFAOYSA-N 0 3 297.761 2.556 20 30 CFEDHN C#Cc1cccc(CNC(=O)[C@@H](C)N2CCCCCC2)c1 ZINC000837106155 630956470 /nfs/dbraw/zinc/95/64/70/630956470.db2.gz XHLGZJUZTHSEPL-OAHLLOKOSA-N 0 3 284.403 2.549 20 30 CFEDHN CC(C)(CCC#N)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000808429208 630990763 /nfs/dbraw/zinc/99/07/63/630990763.db2.gz FIGDKXWIZLKPDC-UHFFFAOYSA-N 0 3 276.336 2.540 20 30 CFEDHN C[C@H](NC(=O)C#CC(C)(C)C)[C@H](c1ccccc1)N(C)C ZINC000837539856 631060138 /nfs/dbraw/zinc/06/01/38/631060138.db2.gz XUCLUSXPHIHXGD-WMLDXEAASA-N 0 3 286.419 2.844 20 30 CFEDHN C#C[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000809683571 631261640 /nfs/dbraw/zinc/26/16/40/631261640.db2.gz FMMYVBYDFDINAI-JTQLQIEISA-N 0 3 270.298 2.883 20 30 CFEDHN C#C[C@H](CC)NCc1ccc(OCCC)c(OC)c1 ZINC000809686264 631262485 /nfs/dbraw/zinc/26/24/85/631262485.db2.gz GFKPBJIZKYLLCP-CQSZACIVSA-N 0 3 261.365 2.985 20 30 CFEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1cccc(OC)c1 ZINC000809686195 631262645 /nfs/dbraw/zinc/26/26/45/631262645.db2.gz ZXXXJAMEOCBJBB-CQSZACIVSA-N 0 3 269.348 2.587 20 30 CFEDHN Cc1cc(N(C)C)ccc1CN1CCC(C#N)CC1 ZINC000840913640 631263265 /nfs/dbraw/zinc/26/32/65/631263265.db2.gz ZIBWFTPQICKUSU-UHFFFAOYSA-N 0 3 257.381 2.797 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000809698123 631266504 /nfs/dbraw/zinc/26/65/04/631266504.db2.gz WFEGADCTPDVODC-CABCVRRESA-N 0 3 287.407 2.503 20 30 CFEDHN C#C[C@@H](NCc1cc(OC)c2c(c1)OCCO2)C(C)(C)C ZINC000809781349 631287529 /nfs/dbraw/zinc/28/75/29/631287529.db2.gz OZJSWLQDSFYJHA-OAHLLOKOSA-N 0 3 289.375 2.604 20 30 CFEDHN C#C[C@@H](NCc1ccc(OCCOC)cc1)C(C)(C)C ZINC000809781407 631287583 /nfs/dbraw/zinc/28/75/83/631287583.db2.gz QRDTVLBAFZBZIM-MRXNPFEDSA-N 0 3 275.392 2.849 20 30 CFEDHN C#C[C@@H](NCc1cnc2cccc(C)n12)C(C)(C)C ZINC000809782263 631289409 /nfs/dbraw/zinc/28/94/09/631289409.db2.gz MNSKKPCCDRZEAX-CQSZACIVSA-N 0 3 255.365 2.780 20 30 CFEDHN CCCCCCCS(=O)(=O)N[C@@H](C)CN(C)C(C)C ZINC000809860912 631296118 /nfs/dbraw/zinc/29/61/18/631296118.db2.gz FNKNWTBDRFXOPP-AWEZNQCLSA-N 0 3 292.489 2.605 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C2(CCF)CC2)c1 ZINC000810529294 631382330 /nfs/dbraw/zinc/38/23/30/631382330.db2.gz CZUVZKWCKKQFIJ-ZDUSSCGKSA-N 0 3 288.322 2.782 20 30 CFEDHN CCCCCCNC(=O)C(C#N)C(=O)C1(CCF)CC1 ZINC000810528381 631382721 /nfs/dbraw/zinc/38/27/21/631382721.db2.gz UBKFSPJEKYIRAG-GFCCVEGCSA-N 0 3 282.359 2.532 20 30 CFEDHN CCCN(CCC)c1ccc(C=NN(C)C[C@H](C)O)cc1 ZINC000841655890 631445549 /nfs/dbraw/zinc/44/55/49/631445549.db2.gz ZNSXTIHOIBVNLE-HNNXBMFYSA-N 0 3 291.439 2.960 20 30 CFEDHN C[C@H](c1cccnc1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153490 631554608 /nfs/dbraw/zinc/55/46/08/631554608.db2.gz NWUUHGUWFYIUBU-CXAGYDPISA-N 0 3 281.359 2.680 20 30 CFEDHN C#CCN(CC)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811459096 631565052 /nfs/dbraw/zinc/56/50/52/631565052.db2.gz WOYDXBPYXRTICI-CQSZACIVSA-N 0 3 282.428 2.881 20 30 CFEDHN CCCCCCO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000842335050 631596332 /nfs/dbraw/zinc/59/63/32/631596332.db2.gz ISCLXZGMJZFCLI-OLZOCXBDSA-N 0 3 275.352 2.638 20 30 CFEDHN C#CCON=C1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000842533990 631655287 /nfs/dbraw/zinc/65/52/87/631655287.db2.gz YGVFZUYVUUWSEH-UHFFFAOYSA-N 0 3 268.360 2.821 20 30 CFEDHN C[C@@H](CO)N(C)N=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000842545257 631661057 /nfs/dbraw/zinc/66/10/57/631661057.db2.gz ROSNOULHVIILKB-YWWZSJOGSA-N 0 3 287.407 2.596 20 30 CFEDHN CS[C@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842938576 631787467 /nfs/dbraw/zinc/78/74/67/631787467.db2.gz LCQSOQJMTAIEAB-APPZFPTMSA-N 0 3 266.391 2.948 20 30 CFEDHN C=C[C@H](CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813114546 631846437 /nfs/dbraw/zinc/84/64/37/631846437.db2.gz SQECXMMRVFWIRR-NWDGAFQWSA-N 0 3 263.293 2.555 20 30 CFEDHN CCO[C@@H](C)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212695 631881797 /nfs/dbraw/zinc/88/17/97/631881797.db2.gz FKCGSXSCPMOGLG-WPRPVWTQSA-N 0 3 286.253 2.702 20 30 CFEDHN C#CC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000843426672 631954789 /nfs/dbraw/zinc/95/47/89/631954789.db2.gz FYCHZOYSKGDULH-UHFFFAOYSA-N 0 3 271.389 2.983 20 30 CFEDHN Cc1c(C=NNCCN2CCCCC2)n(C)c2ccccc12 ZINC000814808257 632129160 /nfs/dbraw/zinc/12/91/60/632129160.db2.gz FGXAGTPYEPJNRI-UHFFFAOYSA-N 0 3 298.434 2.896 20 30 CFEDHN CN(CC1=CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370007 632182447 /nfs/dbraw/zinc/18/24/47/632182447.db2.gz TYSIWMHKAWQPHK-INIZCTEOSA-N 0 3 256.349 2.634 20 30 CFEDHN CC(C)SCCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372130 632183293 /nfs/dbraw/zinc/18/32/93/632183293.db2.gz VDFANCHSJNZZCR-HNNXBMFYSA-N 0 3 278.421 2.665 20 30 CFEDHN C=CCC(F)(F)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000814991379 632186572 /nfs/dbraw/zinc/18/65/72/632186572.db2.gz GCYOGFDKJZZBQN-UHFFFAOYSA-N 0 3 298.333 2.907 20 30 CFEDHN C=CCC(F)(F)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000815015986 632188273 /nfs/dbraw/zinc/18/82/73/632188273.db2.gz QWDLFSMGHSIYLP-VXGBXAGGSA-N 0 3 274.355 2.577 20 30 CFEDHN N#Cc1ccc(N2CCN([C@@H]3C=CCCCCC3)CC2)cn1 ZINC000815101894 632202202 /nfs/dbraw/zinc/20/22/02/632202202.db2.gz CTCPMUBVZUSWAU-QGZVFWFLSA-N 0 3 296.418 2.964 20 30 CFEDHN C=CCOCCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000815113796 632203742 /nfs/dbraw/zinc/20/37/42/632203742.db2.gz LHHBJSOCTWYITH-MNOVXSKESA-N 0 3 264.196 2.705 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439737 632211851 /nfs/dbraw/zinc/21/18/51/632211851.db2.gz POBYGCPFIHIZCE-HUUCEWRRSA-N 0 3 292.329 2.713 20 30 CFEDHN C#CCN(C)CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000815652371 632307509 /nfs/dbraw/zinc/30/75/09/632307509.db2.gz ZRDUMOVOHCXIMW-ZDUSSCGKSA-N 0 3 294.826 2.960 20 30 CFEDHN C#CCCCCC(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845732527 632538835 /nfs/dbraw/zinc/53/88/35/632538835.db2.gz QSAWSGLTMBDNIM-ZDUSSCGKSA-N 0 3 251.370 2.596 20 30 CFEDHN C=C(C)[C@@H](CC(=O)OC[C@H]1CCN1C(C)(C)C)OCC ZINC000845733921 632540685 /nfs/dbraw/zinc/54/06/85/632540685.db2.gz MVNAZHBOMRCGCS-ZIAGYGMSSA-N 0 3 283.412 2.774 20 30 CFEDHN CN1c2ccccc2C(C)(C)/C1=C\C=NN[C@@H]1CCC[C@H]1O ZINC000817330416 632604741 /nfs/dbraw/zinc/60/47/41/632604741.db2.gz MCEDBFZPSNLADZ-RFYQDJHMSA-N 0 3 299.418 2.787 20 30 CFEDHN Cc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c(C)o1 ZINC000846005647 632612540 /nfs/dbraw/zinc/61/25/40/632612540.db2.gz AWHGCYWBWVDPLF-QGZVFWFLSA-N 0 3 284.359 2.934 20 30 CFEDHN C[C@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CC1(F)F ZINC000817729627 632695851 /nfs/dbraw/zinc/69/58/51/632695851.db2.gz BWLIDRAKDBBLGX-LKFCYVNXSA-N 0 3 287.269 2.851 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CNCCC1(F)F ZINC000817979908 632777028 /nfs/dbraw/zinc/77/70/28/632777028.db2.gz FYZSFLMEIHZAIT-CABCVRRESA-N 0 3 291.345 2.522 20 30 CFEDHN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](N)CCCC#N ZINC000818094883 632800900 /nfs/dbraw/zinc/80/09/00/632800900.db2.gz ZDJFPSGQKGKHBA-KFWWJZLASA-N 0 3 293.455 2.976 20 30 CFEDHN C=CC[C@H](NC[C@](C)(O)C(F)(F)F)c1ccncc1 ZINC000819073048 632952539 /nfs/dbraw/zinc/95/25/39/632952539.db2.gz ASHVORSDXHLCHV-RYUDHWBXSA-N 0 3 274.286 2.602 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1c(F)cccc1F ZINC000848396878 633248062 /nfs/dbraw/zinc/24/80/62/633248062.db2.gz WWLWGIFUYWWPDZ-GWCFXTLKSA-N 0 3 295.333 2.553 20 30 CFEDHN C1CC[C@H](ON=C2CCCN3CCCC[C@@H]23)OC1 ZINC000848407704 633251418 /nfs/dbraw/zinc/25/14/18/633251418.db2.gz SBDUQFFVZIOKGJ-KBPBESRZSA-N 0 3 252.358 2.534 20 30 CFEDHN Fc1cccnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848411855 633252337 /nfs/dbraw/zinc/25/23/37/633252337.db2.gz UULCUCVDVLGQIQ-CYBMUJFWSA-N 0 3 262.332 2.637 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001014384163 651185030 /nfs/dbraw/zinc/18/50/30/651185030.db2.gz ONWQVDOZEDOZJW-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN COc1c(C)cccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000848676795 633315914 /nfs/dbraw/zinc/31/59/14/633315914.db2.gz SDHBAEJNYRHNPY-KRWDZBQOSA-N 0 3 296.370 2.699 20 30 CFEDHN C#C[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000848923292 633405812 /nfs/dbraw/zinc/40/58/12/633405812.db2.gz ICYFSVAZEFWZPN-LBPRGKRZSA-N 0 3 271.389 2.983 20 30 CFEDHN C#C[C@H]1CCCN(Cc2ccccc2OCCOC)C1 ZINC000848923621 633406096 /nfs/dbraw/zinc/40/60/96/633406096.db2.gz HEDRCBXWFLDQQQ-HNNXBMFYSA-N 0 3 273.376 2.557 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000848924067 633406695 /nfs/dbraw/zinc/40/66/95/633406695.db2.gz MTOQILSIWFHIDM-CYBMUJFWSA-N 0 3 259.397 2.563 20 30 CFEDHN C#CCSCCNCc1cccc(OC2CC2)c1F ZINC000850153357 633860307 /nfs/dbraw/zinc/86/03/07/633860307.db2.gz XDIMKQVLLUYXHS-UHFFFAOYSA-N 0 3 279.380 2.823 20 30 CFEDHN CCOc1ccc(C[NH2+]CCc2ccc(C#N)cc2)c([O-])c1 ZINC000850345695 633947656 /nfs/dbraw/zinc/94/76/56/633947656.db2.gz IBJBHPULAMHRIQ-UHFFFAOYSA-N 0 3 296.370 2.995 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCC[C@@H]2Cc2ccccn2)n1 ZINC000850387774 633970933 /nfs/dbraw/zinc/97/09/33/633970933.db2.gz ZSJOXENJRAFPMX-DOMZBBRYSA-N 0 3 298.415 2.911 20 30 CFEDHN N#CC(C(=O)C1CC2(CC2)C1)c1nc2ccccc2[nH]1 ZINC000850739045 634068176 /nfs/dbraw/zinc/06/81/76/634068176.db2.gz RWHLFSSEBNZKDU-LLVKDONJSA-N 0 3 265.316 2.929 20 30 CFEDHN N#CC(C(=O)CCCc1cccnc1)c1ccccn1 ZINC000850755113 634080667 /nfs/dbraw/zinc/08/06/67/634080667.db2.gz BLNDELFBWAQDTN-CQSZACIVSA-N 0 3 265.316 2.676 20 30 CFEDHN C[C@H](CC#N)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782501 634090875 /nfs/dbraw/zinc/09/08/75/634090875.db2.gz NBXGKUMSLNSEEE-NXEZZACHSA-N 0 3 253.261 2.554 20 30 CFEDHN CO[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000850781920 634091038 /nfs/dbraw/zinc/09/10/38/634091038.db2.gz GJHJQOWRFOIICN-UTUOFQBUSA-N 0 3 284.315 2.819 20 30 CFEDHN Cc1cccc(CNC(=O)C(C#N)C(=O)C2CC3(CC3)C2)c1 ZINC000850976394 634162443 /nfs/dbraw/zinc/16/24/43/634162443.db2.gz CRWNTBYJISFEGO-OAHLLOKOSA-N 0 3 296.370 2.510 20 30 CFEDHN CN(Cc1ccccc1)C(=O)C(C#N)C(=O)[C@H]1CCC1(C)C ZINC000850977645 634163038 /nfs/dbraw/zinc/16/30/38/634163038.db2.gz AWLAETGKLFEPCO-HUUCEWRRSA-N 0 3 298.386 2.790 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)C(=O)CCCF)c1ccccc1 ZINC000850978487 634163271 /nfs/dbraw/zinc/16/32/71/634163271.db2.gz TVRLVPKNWBDGGS-KBPBESRZSA-N 0 3 290.338 2.712 20 30 CFEDHN C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000109772536 634234752 /nfs/dbraw/zinc/23/47/52/634234752.db2.gz SXRZQVCFFWSDHZ-UHFFFAOYSA-N 0 3 252.317 2.896 20 30 CFEDHN C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[O-] ZINC000109772536 634234756 /nfs/dbraw/zinc/23/47/56/634234756.db2.gz SXRZQVCFFWSDHZ-UHFFFAOYSA-N 0 3 252.317 2.896 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852779894 634833939 /nfs/dbraw/zinc/83/39/39/634833939.db2.gz GMKXTQWZTGXCHP-WFASDCNBSA-N 0 3 261.365 2.599 20 30 CFEDHN Cc1cc(C)cc(CC(=O)C(C#N)C(=O)NC2CCCC2)c1 ZINC000853098977 634904350 /nfs/dbraw/zinc/90/43/50/634904350.db2.gz MVBQFWMKOUZJRU-MRXNPFEDSA-N 0 3 298.386 2.614 20 30 CFEDHN C#CCCN(CCOC)Cn1cnc2cc(C)c(C)cc21 ZINC000853620011 635050399 /nfs/dbraw/zinc/05/03/99/635050399.db2.gz QIPKLMFIHBIBIF-UHFFFAOYSA-N 0 3 285.391 2.582 20 30 CFEDHN C#Cc1cccnc1N(C)CCCN(C)Cc1ccco1 ZINC000853621439 635050944 /nfs/dbraw/zinc/05/09/44/635050944.db2.gz IBGCEFQDIZCFCQ-UHFFFAOYSA-N 0 3 283.375 2.614 20 30 CFEDHN C=C(C)CCN1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854080154 635207956 /nfs/dbraw/zinc/20/79/56/635207956.db2.gz UVGYSSKCCQYDJA-UHFFFAOYSA-N 0 3 284.363 2.671 20 30 CFEDHN C[C@@H](Cc1ccccc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000112149112 635286813 /nfs/dbraw/zinc/28/68/13/635286813.db2.gz BYFZOYXEJZJNHR-XJKSGUPXSA-N 0 3 298.386 2.633 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2CC=C)CC1 ZINC000855169939 635476402 /nfs/dbraw/zinc/47/64/02/635476402.db2.gz GZMSPUPTZWUDMK-RDJZCZTQSA-N 0 3 288.435 2.583 20 30 CFEDHN C=CCN1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856819419 635868718 /nfs/dbraw/zinc/86/87/18/635868718.db2.gz UVIMRTFDMKVGEQ-IUODEOHRSA-N 0 3 266.385 2.552 20 30 CFEDHN C(=Nn1cnnc1-c1ccccc1)[C@@H]1CCCOCC1 ZINC000857208378 635947039 /nfs/dbraw/zinc/94/70/39/635947039.db2.gz VGJHVEACVDGFMH-CYBMUJFWSA-N 0 3 270.336 2.596 20 30 CFEDHN N#CCC[C@H](C#N)CNCC[C@H]1CC1(Cl)Cl ZINC000857239066 635955292 /nfs/dbraw/zinc/95/52/92/635955292.db2.gz NBTBLLRNNARYPG-ZJUUUORDSA-N 0 3 260.168 2.603 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H]1CCc2ccc(Cl)nc21 ZINC000857912482 636064337 /nfs/dbraw/zinc/06/43/37/636064337.db2.gz BTTSTQAXEJPYNP-NWDGAFQWSA-N 0 3 266.772 2.639 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCc2ccc(Cl)nc21 ZINC000857915076 636065700 /nfs/dbraw/zinc/06/57/00/636065700.db2.gz ZRYJJNZARSRMGY-WOPDTQHZSA-N 0 3 264.756 2.655 20 30 CFEDHN C#CCCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029196 636116115 /nfs/dbraw/zinc/11/61/15/636116115.db2.gz UAZWTFITOUQUTF-INIZCTEOSA-N 0 3 270.376 2.826 20 30 CFEDHN Cc1ccc(O[C@@H]2CCN([C@@H]3CC[C@@H](C#N)C3)C2)nc1 ZINC000858039710 636117558 /nfs/dbraw/zinc/11/75/58/636117558.db2.gz HHJSYAKEEHMYJA-RBSFLKMASA-N 0 3 271.364 2.535 20 30 CFEDHN C=CC(C)(C)CCNCc1ncc(CN(C)C)s1 ZINC000858205466 636155329 /nfs/dbraw/zinc/15/53/29/636155329.db2.gz BLHNPWVEDMOMFH-UHFFFAOYSA-N 0 3 267.442 2.897 20 30 CFEDHN C#CC[C@@H](COC)NC/C=C\c1ccc(F)cc1F ZINC000858334573 636193953 /nfs/dbraw/zinc/19/39/53/636193953.db2.gz BKSFGECHFZZDDT-SDQPKGBYSA-N 0 3 265.303 2.606 20 30 CFEDHN C#CC[C@@H](CCOC)NCc1cccc2c1OC(F)(F)O2 ZINC000858334239 636194062 /nfs/dbraw/zinc/19/40/62/636194062.db2.gz JWZGNQQPOINUIZ-LBPRGKRZSA-N 0 3 297.301 2.526 20 30 CFEDHN C#CC[C@H](COC)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000858334193 636194523 /nfs/dbraw/zinc/19/45/23/636194523.db2.gz IKDPDBNUDJBGLK-QGZVFWFLSA-N 0 3 297.402 2.617 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000858334703 636195328 /nfs/dbraw/zinc/19/53/28/636195328.db2.gz XTDAZTGIBIYVJM-NFAWXSAZSA-N 0 3 261.365 2.921 20 30 CFEDHN C#CCCOC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC000858880782 636368685 /nfs/dbraw/zinc/36/86/85/636368685.db2.gz ZQMZZQSSZRLTKS-MRXNPFEDSA-N 0 3 288.391 2.601 20 30 CFEDHN Cc1ccccc1[C@@H](C)CC(=O)C(C#N)C(=O)NC(C)C ZINC000116592931 636479589 /nfs/dbraw/zinc/47/95/89/636479589.db2.gz FIESPDJTQVUDJD-ZFWWWQNUSA-N 0 3 286.375 2.722 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](C)COC)c([O-])c1 ZINC000194469439 636780254 /nfs/dbraw/zinc/78/02/54/636780254.db2.gz VFRMGJFQJUQLDG-VVBXCHJUSA-N 0 3 278.396 2.940 20 30 CFEDHN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000860470632 636892567 /nfs/dbraw/zinc/89/25/67/636892567.db2.gz RKFHCCXUOMBLLL-ZIAGYGMSSA-N 0 3 288.347 2.539 20 30 CFEDHN CCC(C#N)(CC)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000860852011 636990146 /nfs/dbraw/zinc/99/01/46/636990146.db2.gz MDFYIVZOZKCAIJ-LBPRGKRZSA-N 0 3 266.385 2.732 20 30 CFEDHN C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862444892 637385871 /nfs/dbraw/zinc/38/58/71/637385871.db2.gz IDPGQCFVLVLYRO-LLVKDONJSA-N 0 3 279.767 2.899 20 30 CFEDHN C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000862444892 637385874 /nfs/dbraw/zinc/38/58/74/637385874.db2.gz IDPGQCFVLVLYRO-LLVKDONJSA-N 0 3 279.767 2.899 20 30 CFEDHN C#CC[C@@H]1CCN(Cc2ccnn2-c2ccccc2)C1 ZINC000862446592 637386980 /nfs/dbraw/zinc/38/69/80/637386980.db2.gz BDUADHUWYZLODL-OAHLLOKOSA-N 0 3 265.360 2.718 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CC=C(C(=O)OC)C1 ZINC000862464633 637390449 /nfs/dbraw/zinc/39/04/49/637390449.db2.gz DPEROMLQKGCISN-OAHLLOKOSA-N 0 3 287.359 2.603 20 30 CFEDHN C#CC[C@H](CCOC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000862548112 637421085 /nfs/dbraw/zinc/42/10/85/637421085.db2.gz YAIZAMIDSGIEAR-CQSZACIVSA-N 0 3 281.783 2.872 20 30 CFEDHN C#CC[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000862562538 637429535 /nfs/dbraw/zinc/42/95/35/637429535.db2.gz AFKJRYJTMHSROZ-INIZCTEOSA-N 0 3 296.414 2.768 20 30 CFEDHN CCC(=NNC[C@H]1CCSC1)c1ccc(N)cc1 ZINC000863111813 637559472 /nfs/dbraw/zinc/55/94/72/637559472.db2.gz HCDPFJZDAARPKD-LLVKDONJSA-N 0 3 263.410 2.726 20 30 CFEDHN CCC(=NN[C@H]1CCOC1(C)C)c1ccc(N)cc1 ZINC000863117902 637562625 /nfs/dbraw/zinc/56/26/25/637562625.db2.gz HAEFPRFHSBZUGQ-AWEZNQCLSA-N 0 3 261.369 2.540 20 30 CFEDHN CCCC(=NNc1ccnc(C)c1)c1ccccn1 ZINC000863159615 637573690 /nfs/dbraw/zinc/57/36/90/637573690.db2.gz XVXMOEGNCHVSDQ-UHFFFAOYSA-N 0 3 254.337 2.823 20 30 CFEDHN C=CC[C@@H](C)NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865469408 638355853 /nfs/dbraw/zinc/35/58/53/638355853.db2.gz NQQWVARWAYLYBV-LLVKDONJSA-N 0 3 292.383 2.878 20 30 CFEDHN C=CCC1(CNCc2cn(CCC)nn2)CCCC1 ZINC000865592200 638446188 /nfs/dbraw/zinc/44/61/88/638446188.db2.gz UCYWGYODYGESFR-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN CC1(C)CC[C@@H](O)[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000865700013 638523703 /nfs/dbraw/zinc/52/37/03/638523703.db2.gz QDKGNKOVKDTDPD-HUUCEWRRSA-N 0 3 276.355 2.727 20 30 CFEDHN C=CCOc1cccc(CNc2cc3n(n2)CCN(C)C3)c1 ZINC000865846691 638610345 /nfs/dbraw/zinc/61/03/45/638610345.db2.gz XXMBNFFHNYRPEX-UHFFFAOYSA-N 0 3 298.390 2.505 20 30 CFEDHN C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])CN1CCCC1 ZINC000866239190 638777454 /nfs/dbraw/zinc/77/74/54/638777454.db2.gz ROAHODXIMHBXFE-KGLIPLIRSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cccc(C#N)c1[O-] ZINC000866280923 638788371 /nfs/dbraw/zinc/78/83/71/638788371.db2.gz CPLCBZWNRZYGQK-QEJZJMRPSA-N 0 3 287.407 2.787 20 30 CFEDHN CC[C@@H](CC(=O)C(C#N)C(=O)NC1CC1)c1ccc(C)cc1 ZINC000121737013 638889510 /nfs/dbraw/zinc/88/95/10/638889510.db2.gz GZQVKCSEYKUOJL-BBRMVZONSA-N 0 3 298.386 2.866 20 30 CFEDHN CCCCCCN(C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000870672155 639762769 /nfs/dbraw/zinc/76/27/69/639762769.db2.gz JVZUEHLFDDYPTQ-HUUCEWRRSA-N 0 3 279.428 2.649 20 30 CFEDHN C#CCN(C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000192234843 650551381 /nfs/dbraw/zinc/55/13/81/650551381.db2.gz DYVAOHOAQLNLCZ-OAHLLOKOSA-N 0 3 292.382 2.720 20 30 CFEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1ccc(C)cc1 ZINC000871890182 641504932 /nfs/dbraw/zinc/50/49/32/641504932.db2.gz RKJARHZMVFHVJZ-NUEKZKHPSA-N 0 3 285.391 2.994 20 30 CFEDHN Cc1sc2ncnc(N=NC3CCN(C)[C@H]3C)c2c1C ZINC000872331004 641758407 /nfs/dbraw/zinc/75/84/07/641758407.db2.gz ZEERTRHYPUPQPE-VIFPVBQESA-N 0 3 289.408 2.800 20 30 CFEDHN COC(C)(C)CCNCc1cccc(F)c1C#N ZINC000873149839 642031644 /nfs/dbraw/zinc/03/16/44/642031644.db2.gz VBVIVNUGPHOBCX-UHFFFAOYSA-N 0 3 250.317 2.602 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)C1CCC=CCC1 ZINC000873498051 642223958 /nfs/dbraw/zinc/22/39/58/642223958.db2.gz RJWSTDOGPRTGEQ-CQSZACIVSA-N 0 3 276.380 2.748 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CC)c1 ZINC000876548529 642915770 /nfs/dbraw/zinc/91/57/70/642915770.db2.gz KJZUULLFIWYCGW-LBPRGKRZSA-N 0 3 252.745 2.657 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000876548251 642916779 /nfs/dbraw/zinc/91/67/79/642916779.db2.gz ZLMKEMQCVGJSIZ-GXTWGEPZSA-N 0 3 280.799 2.594 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCc2cc(C)ccc21 ZINC000876559017 642921973 /nfs/dbraw/zinc/92/19/73/642921973.db2.gz ULJJRPCTSKSOCY-ZDUSSCGKSA-N 0 3 278.783 2.744 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC1(c2ccccc2)CCC1 ZINC000876568882 642927169 /nfs/dbraw/zinc/92/71/69/642927169.db2.gz AELGBEOUHBMRFN-CYBMUJFWSA-N 0 3 278.783 2.652 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H](c1cccs1)C1CC1 ZINC000876570345 642928272 /nfs/dbraw/zinc/92/82/72/642928272.db2.gz AOLVPFDEVMKHBX-ZYHUDNBSSA-N 0 3 284.812 2.785 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000876571010 642928288 /nfs/dbraw/zinc/92/82/88/642928288.db2.gz RJJFPGLQGBWHSU-RISCZKNCSA-N 0 3 296.798 2.732 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccc1)C1CC1 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/nfs/dbraw/zinc/91/28/09/650912809.db2.gz NPUHMAXGHUQPRR-UHFFFAOYSA-N 0 3 258.346 2.957 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651991 644366169 /nfs/dbraw/zinc/36/61/69/644366169.db2.gz SIYSAZODZFLCNE-UONOGXRCSA-N 0 3 288.391 2.632 20 30 CFEDHN C[C@]1(C(F)(F)F)CCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000879999814 644489619 /nfs/dbraw/zinc/48/96/19/644489619.db2.gz BJNZRNADLRRODU-KGLIPLIRSA-N 0 3 298.308 2.866 20 30 CFEDHN COCC1(N(C)Cc2ccc(C#N)cc2OC)CCC1 ZINC000880185867 644569014 /nfs/dbraw/zinc/56/90/14/644569014.db2.gz FWSRRPSSRNIMIT-UHFFFAOYSA-N 0 3 274.364 2.568 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001017344821 650941090 /nfs/dbraw/zinc/94/10/90/650941090.db2.gz QCYCQOLVUKAMAU-YESZJQIVSA-N 0 3 288.435 2.984 20 30 CFEDHN COCC#CCN1CCCSC[C@H]1c1ccccc1 ZINC000880388645 644685319 /nfs/dbraw/zinc/68/53/19/644685319.db2.gz SLUZRGZDTWRXGN-INIZCTEOSA-N 0 3 275.417 2.816 20 30 CFEDHN C=CCCC[C@@H](NCCS(C)(=O)=O)c1ccccc1 ZINC000880388799 644685375 /nfs/dbraw/zinc/68/53/75/644685375.db2.gz PCNBQDOLHKQQQW-OAHLLOKOSA-N 0 3 281.421 2.718 20 30 CFEDHN C=CC(C)(C)CC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000880414032 644697329 /nfs/dbraw/zinc/69/73/29/644697329.db2.gz JUWNVCOBJPAQCE-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN CC[C@H](NCc1cccc(F)c1C#N)[C@H]1CCCOC1 ZINC000880470517 644726012 /nfs/dbraw/zinc/72/60/12/644726012.db2.gz OHPJZCVFMXINPF-BBRMVZONSA-N 0 3 276.355 2.992 20 30 CFEDHN C#CCC1(O)CCN(Cc2cc3ccccc3o2)CC1 ZINC000880480585 644730868 /nfs/dbraw/zinc/73/08/68/644730868.db2.gz XZTQKDLSMQKIRL-UHFFFAOYSA-N 0 3 269.344 2.783 20 30 CFEDHN C#CCC1(O)CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000880479488 644731518 /nfs/dbraw/zinc/73/15/18/644731518.db2.gz VUEOCRZKKCEZHE-ZDUSSCGKSA-N 0 3 261.340 2.737 20 30 CFEDHN C#CCC1(O)CCN(Cc2cnc3ccc(C)cc3c2)CC1 ZINC000880482546 644732609 /nfs/dbraw/zinc/73/26/09/644732609.db2.gz MNIDZWXQUFBXHU-UHFFFAOYSA-N 0 3 294.398 2.893 20 30 CFEDHN C#CCC1(O)CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000880484278 644732792 /nfs/dbraw/zinc/73/27/92/644732792.db2.gz SQISJNHIVHZOFB-UHFFFAOYSA-N 0 3 299.414 2.750 20 30 CFEDHN C=CCN1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC000880500845 644737871 /nfs/dbraw/zinc/73/78/71/644737871.db2.gz HSIKQEYPGFXRIL-SJLPKXTDSA-N 0 3 286.419 2.538 20 30 CFEDHN C=CCN1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC000880500842 644738056 /nfs/dbraw/zinc/73/80/56/644738056.db2.gz HSIKQEYPGFXRIL-AEFFLSMTSA-N 0 3 286.419 2.538 20 30 CFEDHN C[C@@H](C#N)OCCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880535736 644753843 /nfs/dbraw/zinc/75/38/43/644753843.db2.gz GJMGMINFWRUZQS-XEZPLFJOSA-N 0 3 256.349 2.849 20 30 CFEDHN CC[C@H](C)N[C@H](CNc1cc(C#N)nc(C)n1)c1ccco1 ZINC000882350346 645289689 /nfs/dbraw/zinc/28/96/89/645289689.db2.gz KMCOBMAJNITVGM-SMDDNHRTSA-N 0 3 299.378 2.791 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1nc(C(C)C)c[nH]1 ZINC000883109916 645607798 /nfs/dbraw/zinc/60/77/98/645607798.db2.gz IWFLWDUOFFNYMO-SWLSCSKDSA-N 0 3 263.385 2.604 20 30 CFEDHN C=CCC[C@@H](Cc1ccccc1)NCc1nnc2n1CCC2 ZINC000883170686 645638205 /nfs/dbraw/zinc/63/82/05/645638205.db2.gz ZPIRWXIZYLZRLB-INIZCTEOSA-N 0 3 296.418 2.891 20 30 CFEDHN CC(C)c1c[nH]c(CN[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000883199461 645659554 /nfs/dbraw/zinc/65/95/54/645659554.db2.gz FOTJCGZNHPYBSP-HNNXBMFYSA-N 0 3 280.375 2.662 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](c1ccccc1)C1CCC1 ZINC000883215617 645669763 /nfs/dbraw/zinc/66/97/63/645669763.db2.gz BWECDFMKBJWEDY-MRXNPFEDSA-N 0 3 293.432 2.718 20 30 CFEDHN C=CCC[C@@H](NCc1ccc(C#N)cn1)[C@H]1CCCO1 ZINC000883217335 645671227 /nfs/dbraw/zinc/67/12/27/645671227.db2.gz GTXKSQLDFFIMLW-HZPDHXFCSA-N 0 3 271.364 2.557 20 30 CFEDHN C=CCC[C@@H](NCc1cnccc1OC)[C@@H]1CCCO1 ZINC000883224600 645675258 /nfs/dbraw/zinc/67/52/58/645675258.db2.gz OUPOCTLDRYRIGV-ZBFHGGJFSA-N 0 3 276.380 2.694 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2(CC3CC3)CC2)CC1 ZINC000883343603 645753421 /nfs/dbraw/zinc/75/34/21/645753421.db2.gz SSMFRQTYWSFDFX-UHFFFAOYSA-N 0 3 291.439 2.516 20 30 CFEDHN N#C[C@@H]1CC[C@H](N[C@H](Cn2ccnc2)c2ccccc2)C1 ZINC000883387931 645785847 /nfs/dbraw/zinc/78/58/47/645785847.db2.gz ILMKMFIAAYLQCB-HYVNUMGLSA-N 0 3 280.375 2.906 20 30 CFEDHN C#CCN1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000135872145 646661649 /nfs/dbraw/zinc/66/16/49/646661649.db2.gz WOTXTLVEYXGYAA-MAUKXSAKSA-N 0 3 285.435 2.556 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000885930688 646771659 /nfs/dbraw/zinc/77/16/59/646771659.db2.gz DUZFGQPPBQXOIM-NEPJUHHUSA-N 0 3 290.329 2.706 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885967552 646787857 /nfs/dbraw/zinc/78/78/57/646787857.db2.gz RYIKREABHDSFHH-WBVHZDCISA-N 0 3 273.351 2.688 20 30 CFEDHN C#CCN(Cc1ccc(F)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885967551 646788110 /nfs/dbraw/zinc/78/81/10/646788110.db2.gz RYIKREABHDSFHH-RDJZCZTQSA-N 0 3 273.351 2.688 20 30 CFEDHN C#CCC1(NCc2ccc(Br)o2)CCOCC1 ZINC000886381969 646994164 /nfs/dbraw/zinc/99/41/64/646994164.db2.gz ZWLVWUKVNNKGHY-UHFFFAOYSA-N 0 3 298.180 2.704 20 30 CFEDHN C#CCN(C(=O)c1ccsc1Cl)C1CCN(C)CC1 ZINC000886573698 647051849 /nfs/dbraw/zinc/05/18/49/647051849.db2.gz SJCJVMJGDPDAIM-UHFFFAOYSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN1CCC[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000886663039 647096693 /nfs/dbraw/zinc/09/66/93/647096693.db2.gz RTXAAVFTEWEFLU-HOCLYGCPSA-N 0 3 272.392 2.531 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](c3ncccn3)C2)cc1 ZINC000886674957 647104824 /nfs/dbraw/zinc/10/48/24/647104824.db2.gz VCTAPIVOMGRAQO-INIZCTEOSA-N 0 3 278.359 2.728 20 30 CFEDHN C[C@@H](C#N)OCCNC(C)(C)c1ccc(F)cc1F ZINC000886897715 647170567 /nfs/dbraw/zinc/17/05/67/647170567.db2.gz GJUZSALGYJQTIF-JTQLQIEISA-N 0 3 268.307 2.718 20 30 CFEDHN C#CCNC(=O)CN[C@H](CC)c1cccc2ccccc21 ZINC000886918054 647174651 /nfs/dbraw/zinc/17/46/51/647174651.db2.gz QMALCGZCBUMRRD-QGZVFWFLSA-N 0 3 280.371 2.630 20 30 CFEDHN CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1cccc(C#N)c1[O-] ZINC000924708804 648031940 /nfs/dbraw/zinc/03/19/40/648031940.db2.gz ZUFDENYPVNKNDV-CZUORRHYSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000925231699 648137725 /nfs/dbraw/zinc/13/77/25/648137725.db2.gz FBIOEACZKPVRIQ-NSHDSACASA-N 0 3 281.400 2.524 20 30 CFEDHN C=CCC1(NC(=O)N[C@H]2CCN(C)[C@H]2C)CCCCC1 ZINC000925339622 648155989 /nfs/dbraw/zinc/15/59/89/648155989.db2.gz HKJOPTQAMOISPS-KBPBESRZSA-N 0 3 279.428 2.657 20 30 CFEDHN CC(C)n1cc([C@@H](C)N[C@H]2CC[C@@H](CC#N)C2)nn1 ZINC000926513065 648515939 /nfs/dbraw/zinc/51/59/39/648515939.db2.gz SCSVLCBGRBBSII-AGIUHOORSA-N 0 3 261.373 2.592 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc2c1OCO2 ZINC000926533602 648521128 /nfs/dbraw/zinc/52/11/28/648521128.db2.gz MKQYTDUHUFUTSI-BNOWGMLFSA-N 0 3 275.348 2.800 20 30 CFEDHN C=CCC[C@H](CO)N[C@H](C)c1cccc(Br)n1 ZINC000926544758 648526867 /nfs/dbraw/zinc/52/68/67/648526867.db2.gz FNKFZPGVIYDEKS-GHMZBOCLSA-N 0 3 299.212 2.822 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@H](C)c1cc([O-])cc(F)c1 ZINC000926546678 648527921 /nfs/dbraw/zinc/52/79/21/648527921.db2.gz WUIVLXTXRPWAKT-ZWNOBZJWSA-N 0 3 253.317 2.509 20 30 CFEDHN C#C[C@H]1CC[C@H](N[C@@H](C)c2cn(C(C)C)nn2)CC1 ZINC000926838719 648632272 /nfs/dbraw/zinc/63/22/72/648632272.db2.gz GPUJQQRTXDIZLI-IHRRRGAJSA-N 0 3 260.385 2.702 20 30 CFEDHN C=CCC[C@@H](NCc1cc(C2CC2)n(C)n1)[C@@H]1CCCO1 ZINC000927109549 648715584 /nfs/dbraw/zinc/71/55/84/648715584.db2.gz PXORMDZSYWSCMQ-WBVHZDCISA-N 0 3 289.423 2.901 20 30 CFEDHN CN(CCOC1CCSCC1)Cc1cccc(C#N)c1 ZINC000929162710 648993182 /nfs/dbraw/zinc/99/31/82/648993182.db2.gz SCSXDKIXJCRRMK-UHFFFAOYSA-N 0 3 290.432 2.902 20 30 CFEDHN C#Cc1ccc(NC(=O)CCN2CCC(=C)CC2)cc1 ZINC000929603178 649076219 /nfs/dbraw/zinc/07/62/19/649076219.db2.gz HEXFFTGMVJVWJX-UHFFFAOYSA-N 0 3 268.360 2.649 20 30 CFEDHN CC(C)N1C(=O)CN(CC2CCC(C#N)CC2)CC1(C)C ZINC000929729912 649107966 /nfs/dbraw/zinc/10/79/66/649107966.db2.gz NNDFCSQCAHJQAP-UHFFFAOYSA-N 0 3 291.439 2.648 20 30 CFEDHN C[C@H](c1ccccc1)N(CC(N)=O)CC1CCC(C#N)CC1 ZINC000930029571 649170855 /nfs/dbraw/zinc/17/08/55/649170855.db2.gz ROQFXKKEBDXMBP-QQFBHYJXSA-N 0 3 299.418 2.865 20 30 CFEDHN CC[C@](O)(CN[C@@H](C)c1cccc(C#N)c1)C(F)(F)F ZINC000930215152 649208101 /nfs/dbraw/zinc/20/81/01/649208101.db2.gz ZTHOYXUQMKAKRV-GWCFXTLKSA-N 0 3 286.297 2.912 20 30 CFEDHN C=C[C@@H]1CCCCN1C[C@@](O)(CC)C(F)(F)F ZINC000930262128 649217316 /nfs/dbraw/zinc/21/73/16/649217316.db2.gz DGAXFRQCOCFOQL-MNOVXSKESA-N 0 3 251.292 2.730 20 30 CFEDHN CC(C)[C@@H](NCCCCC1(C#N)CCC1)c1nncn1C ZINC000930445314 649248531 /nfs/dbraw/zinc/24/85/31/649248531.db2.gz CQIMPASDHQDSDQ-CQSZACIVSA-N 0 3 289.427 2.966 20 30 CFEDHN CO[C@@H](C)CN(C)Cc1cc(Cl)cc(C#N)c1 ZINC000930477193 649257242 /nfs/dbraw/zinc/25/72/42/649257242.db2.gz ZOGAPUBUKIQDGQ-JTQLQIEISA-N 0 3 252.745 2.678 20 30 CFEDHN COC(=O)/C=C(\C)CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000930763979 649322660 /nfs/dbraw/zinc/32/26/60/649322660.db2.gz IIIFTBDEQWBVSU-YQCJOKCJSA-N 0 3 272.348 2.670 20 30 CFEDHN C=CCN(Cc1cc(=O)n2cc(C)sc2n1)C(C)(C)C ZINC000931016470 649364703 /nfs/dbraw/zinc/36/47/03/649364703.db2.gz DLAQVTKRPUEFBI-UHFFFAOYSA-N 0 3 291.420 2.851 20 30 CFEDHN C#CC1(O)CCN([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000931143342 649386396 /nfs/dbraw/zinc/38/63/96/649386396.db2.gz HKOPFXQFCOYBFV-HNNXBMFYSA-N 0 3 261.340 2.737 20 30 CFEDHN CC(C)(NC[C@H](O)CC#N)c1ccc(C(F)(F)F)cc1 ZINC000931693873 649472695 /nfs/dbraw/zinc/47/26/95/649472695.db2.gz GKLQKSPKZCWGBA-GFCCVEGCSA-N 0 3 286.297 2.805 20 30 CFEDHN Cc1nc([C@@H]2CCN([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000931949164 649517896 /nfs/dbraw/zinc/51/78/96/649517896.db2.gz NWMIBCPYASEZCI-IAQYHMDHSA-N 0 3 282.347 2.800 20 30 CFEDHN CCOC(=O)[C@@H]1[C@@H]2CCN([C@@H](C)c3ccc(C#N)cc3)C[C@@H]21 ZINC000932062499 649530611 /nfs/dbraw/zinc/53/06/11/649530611.db2.gz JYRYHYOVPTVMTI-NKKGCODLSA-N 0 3 298.386 2.750 20 30 CFEDHN Cn1ccc(C2CCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000932140895 649549398 /nfs/dbraw/zinc/54/93/98/649549398.db2.gz METMFFBJUOVHFJ-UHFFFAOYSA-N 0 3 280.375 2.671 20 30 CFEDHN CC(C)(C)NC(=O)[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000932436773 649600781 /nfs/dbraw/zinc/60/07/81/649600781.db2.gz CUJPPXOLZKTRNK-ZDUSSCGKSA-N 0 3 279.428 2.695 20 30 CFEDHN C#CCN(CCc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000932463838 649605996 /nfs/dbraw/zinc/60/59/96/649605996.db2.gz OXSSQXIELKWXEB-UHFFFAOYSA-N 0 3 283.375 2.612 20 30 CFEDHN C=CCN1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932812426 649644462 /nfs/dbraw/zinc/64/44/62/649644462.db2.gz XOZKWAPAHQVAAM-CQSZACIVSA-N 0 3 296.208 2.919 20 30 CFEDHN C#CCC1(NCc2ccncc2C#N)CCCCC1 ZINC000933266176 649683703 /nfs/dbraw/zinc/68/37/03/649683703.db2.gz PYCVIMCEMFZOQS-UHFFFAOYSA-N 0 3 253.349 2.769 20 30 CFEDHN C[C@H](C#N)OCCN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933273097 649684631 /nfs/dbraw/zinc/68/46/31/649684631.db2.gz PQKBGXQNPURBFZ-MNOVXSKESA-N 0 3 294.782 2.854 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCC1 ZINC000933298444 649685745 /nfs/dbraw/zinc/68/57/45/649685745.db2.gz AGPMSKPXLLHCHJ-LBPRGKRZSA-N 0 3 299.374 2.631 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cccc(C)c2)CCC1 ZINC000933305092 649686351 /nfs/dbraw/zinc/68/63/51/649686351.db2.gz ZACOCNRPKNOEGV-AWEZNQCLSA-N 0 3 270.376 2.858 20 30 CFEDHN C[C@@](CO)(Cc1ccc(F)cc1)NCC#Cc1ccccc1 ZINC000933447904 649693950 /nfs/dbraw/zinc/69/39/50/649693950.db2.gz YDCRTRSYVJXSGP-IBGZPJMESA-N 0 3 297.373 2.761 20 30 CFEDHN CC(C)CNC(=O)CCCN(C)Cc1cc(C#N)cs1 ZINC000933771664 649720428 /nfs/dbraw/zinc/72/04/28/649720428.db2.gz UAISPUGKLMWLLH-UHFFFAOYSA-N 0 3 293.436 2.604 20 30 CFEDHN CN(Cc1cc(C#N)cs1)C[C@@H](O)CC1CCCC1 ZINC000933772098 649720926 /nfs/dbraw/zinc/72/09/26/649720926.db2.gz MRUJASUBOPRDOL-AWEZNQCLSA-N 0 3 278.421 2.993 20 30 CFEDHN N#Cc1cncc(CN2CCCSC[C@@H]2C2CC2)c1 ZINC000933913622 649731123 /nfs/dbraw/zinc/73/11/23/649731123.db2.gz UPRORDQTBWNIDB-OAHLLOKOSA-N 0 3 273.405 2.671 20 30 CFEDHN C=CC[C@@H]1CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000934471152 649790644 /nfs/dbraw/zinc/79/06/44/649790644.db2.gz RZVMZYYFZUHXIV-GFCCVEGCSA-N 0 3 262.309 2.624 20 30 CFEDHN C=C(C)CN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934492278 649794615 /nfs/dbraw/zinc/79/46/15/649794615.db2.gz ATXZNFKQSVHCEH-ZDUSSCGKSA-N 0 3 284.197 2.822 20 30 CFEDHN C#CCCCCCN1CCOC[C@H]1CC1CCOCC1 ZINC000934635734 649809880 /nfs/dbraw/zinc/80/98/80/649809880.db2.gz XDVMAARSNPOXOQ-QGZVFWFLSA-N 0 3 279.424 2.698 20 30 CFEDHN C=CCCCN(CC)CC(=O)N1CCCC[C@H]1C ZINC000934649621 649812247 /nfs/dbraw/zinc/81/22/47/649812247.db2.gz VHGJKAKSIVSTRI-CQSZACIVSA-N 0 3 252.402 2.676 20 30 CFEDHN C=CCCCN(CC)CC(=O)Nc1ccc(O)cc1 ZINC000934649623 649812396 /nfs/dbraw/zinc/81/23/96/649812396.db2.gz VIDBNQLCGIVOJS-UHFFFAOYSA-N 0 3 262.353 2.619 20 30 CFEDHN C[C@]12CSC[C@H]1CN(Cc1ccccc1C#N)C2 ZINC000934765697 649825588 /nfs/dbraw/zinc/82/55/88/649825588.db2.gz HKZDFUZPSFHRHM-CABCVRRESA-N 0 3 258.390 2.743 20 30 CFEDHN N#Cc1cnccc1CN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934835608 649837787 /nfs/dbraw/zinc/83/77/87/649837787.db2.gz VZRWMQVXOYXWFH-HOCLYGCPSA-N 0 3 285.391 2.592 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001006604622 651126501 /nfs/dbraw/zinc/12/65/01/651126501.db2.gz WAHNQOOTKPLLPV-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007367941 651133364 /nfs/dbraw/zinc/13/33/64/651133364.db2.gz KNYXENZTHIHERR-HRCADAONSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001007808068 651139158 /nfs/dbraw/zinc/13/91/58/651139158.db2.gz BWXWBANHOPHLQV-CQSZACIVSA-N 0 3 297.402 2.938 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007967160 651140712 /nfs/dbraw/zinc/14/07/12/651140712.db2.gz KJYCPLUFVHZLML-MRXNPFEDSA-N 0 3 288.435 2.561 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001008159251 651143051 /nfs/dbraw/zinc/14/30/51/651143051.db2.gz SLMHBFCODXICEO-LBPRGKRZSA-N 0 3 294.420 2.527 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001009368874 651159762 /nfs/dbraw/zinc/15/97/62/651159762.db2.gz HOKBLILEHZNEIA-NSHDSACASA-N 0 3 298.333 2.988 20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001009395489 651160448 /nfs/dbraw/zinc/16/04/48/651160448.db2.gz VVTHMKVFVVGFMR-ZDUSSCGKSA-N 0 3 294.345 2.735 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001009956660 651169109 /nfs/dbraw/zinc/16/91/09/651169109.db2.gz JOPUGGODJHEHDX-ZDUSSCGKSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015391566 651199890 /nfs/dbraw/zinc/19/98/90/651199890.db2.gz JEGPMOPNMXBYQG-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015609185 651205867 /nfs/dbraw/zinc/20/58/67/651205867.db2.gz AEABZPSZOKKZND-JTQLQIEISA-N 0 3 299.827 2.567 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015672898 651209506 /nfs/dbraw/zinc/20/95/06/651209506.db2.gz ZDTUPPNMEWJWJY-QGZVFWFLSA-N 0 3 298.430 2.776 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001015753740 651212102 /nfs/dbraw/zinc/21/21/02/651212102.db2.gz LSWFADPHTIJLJK-LLVKDONJSA-N 0 3 296.773 2.859 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015788536 651214318 /nfs/dbraw/zinc/21/43/18/651214318.db2.gz OJMGEKZHLMVHAP-NSHDSACASA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001015825299 651215562 /nfs/dbraw/zinc/21/55/62/651215562.db2.gz HRXWJGSKVFHBDH-BPQIPLTHSA-N 0 3 298.430 2.865 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015978956 651219540 /nfs/dbraw/zinc/21/95/40/651219540.db2.gz RHRZLQKSODTLJF-LBPRGKRZSA-N 0 3 293.436 2.647 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001016012900 651220781 /nfs/dbraw/zinc/22/07/81/651220781.db2.gz IJFXCWMVJXLBII-RDJZCZTQSA-N 0 3 286.419 2.865 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001016097163 651224029 /nfs/dbraw/zinc/22/40/29/651224029.db2.gz RYSQTCGVFJWFQR-INIZCTEOSA-N 0 3 272.392 2.684 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016129988 651225114 /nfs/dbraw/zinc/22/51/14/651225114.db2.gz DCPZBGFPYTXDAI-JTQLQIEISA-N 0 3 284.306 2.597 20 30 CFEDHN C=CCCN1CC[C@@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001016111372 651225151 /nfs/dbraw/zinc/22/51/51/651225151.db2.gz ZSBJXAJUDCKCPI-CQSZACIVSA-N 0 3 288.391 2.539 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016221654 651228884 /nfs/dbraw/zinc/22/88/84/651228884.db2.gz KXBRTNVLUXMHIZ-QGZVFWFLSA-N 0 3 284.403 2.556 20 30 CFEDHN C=C(C)CCN1CC[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001016290019 651229246 /nfs/dbraw/zinc/22/92/46/651229246.db2.gz DWRKMWTZWBYQLT-ZDUSSCGKSA-N 0 3 293.436 2.530 20 30 CFEDHN C#CCN1CCC2(C[C@@H]2NC(=O)c2ccc(C=C)cc2)CC1 ZINC001016840709 651241756 /nfs/dbraw/zinc/24/17/56/651241756.db2.gz QRUHBQOZSQPZOI-KRWDZBQOSA-N 0 3 294.398 2.547 20 30 CFEDHN C#CCN1CCC2(C[C@H]2NC(=O)c2ccc(C)c(C)c2)CC1 ZINC001016952966 651242897 /nfs/dbraw/zinc/24/28/97/651242897.db2.gz JASHYGAQSCHRBF-QGZVFWFLSA-N 0 3 296.414 2.521 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001017313008 651249622 /nfs/dbraw/zinc/24/96/22/651249622.db2.gz SYRHKZCETYCBHX-IYBDPMFKSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001017345476 651250561 /nfs/dbraw/zinc/25/05/61/651250561.db2.gz BNYRQLPWBZXYPF-YESZJQIVSA-N 0 3 288.435 2.984 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001017443236 651252014 /nfs/dbraw/zinc/25/20/14/651252014.db2.gz IODFTYFMMQXGLT-IYBDPMFKSA-N 0 3 299.418 2.645 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001017746173 651256518 /nfs/dbraw/zinc/25/65/18/651256518.db2.gz XPWMARLGGNBQRO-GASCZTMLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001020141031 651297686 /nfs/dbraw/zinc/29/76/86/651297686.db2.gz AFXIQNURFMARGD-CYDGBPFRSA-N 0 3 288.794 2.504 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001020180247 651298276 /nfs/dbraw/zinc/29/82/76/651298276.db2.gz RWWMIBKIRMSPNQ-HAQNSBGRSA-N 0 3 296.773 2.737 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001020284128 651300451 /nfs/dbraw/zinc/30/04/51/651300451.db2.gz RJCKLAQDGRHGPM-IHRRRGAJSA-N 0 3 282.815 2.722 20 30 CFEDHN N#CC1(c2ccc(-c3cccnc3OC3CNC3)cc2)CC1 ZINC001243424469 782191940 /nfs/dbraw/zinc/19/19/40/782191940.db2.gz OUHNTSGGTZEJCO-UHFFFAOYSA-N 0 3 291.354 2.654 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(C#N)c2ccccc2n1 ZINC000443504011 719234973 /nfs/dbraw/zinc/23/49/73/719234973.db2.gz WKCOHWYJZBOGCO-QWHCGFSZSA-N 0 3 280.375 2.635 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001085900913 782197832 /nfs/dbraw/zinc/19/78/32/782197832.db2.gz SQAALGKTQWRGRG-AWEZNQCLSA-N 0 3 287.407 2.615 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085910241 782200162 /nfs/dbraw/zinc/20/01/62/782200162.db2.gz BONYKPBJGMRROD-CABCVRRESA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001086019119 782241549 /nfs/dbraw/zinc/24/15/49/782241549.db2.gz AGTJKQREOQTHFV-OTVXOJSOSA-N 0 3 292.810 2.846 20 30 CFEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC001155200779 782248115 /nfs/dbraw/zinc/24/81/15/782248115.db2.gz VBQAJJYWLJDCNS-ZIAGYGMSSA-N 0 3 292.448 2.702 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C23CCC(CC2)C3)C1 ZINC001086122442 782266884 /nfs/dbraw/zinc/26/68/84/782266884.db2.gz LHTUGXOIYLHPEN-MHXRYWECSA-N 0 3 296.842 2.804 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)C2CC3(CCC3)C2)C1 ZINC001086171459 782280780 /nfs/dbraw/zinc/28/07/80/782280780.db2.gz PTHBBALDTMBLPF-XBXGTLAGSA-N 0 3 296.842 2.804 20 30 CFEDHN CN(C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000693106816 770237254 /nfs/dbraw/zinc/23/72/54/770237254.db2.gz DESMLILEWSONGR-UJPOAAIJSA-N 0 3 254.324 2.902 20 30 CFEDHN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001279542224 770765308 /nfs/dbraw/zinc/76/53/08/770765308.db2.gz MRULENBOFIKLAX-JKSUJKDBSA-N 0 3 276.424 2.511 20 30 CFEDHN CC#CCN[C@@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001266979685 770781750 /nfs/dbraw/zinc/78/17/50/770781750.db2.gz KGGMIPMOVVLWNW-HNNXBMFYSA-N 0 3 278.440 2.711 20 30 CFEDHN CCC#C[C@@H](C)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC001168052921 777843322 /nfs/dbraw/zinc/84/33/22/777843322.db2.gz LTZHHUINFBTYQL-CVEARBPZSA-N 0 3 299.418 2.842 20 30 CFEDHN CCCCc1ccc(CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129431848 778725071 /nfs/dbraw/zinc/72/50/71/778725071.db2.gz PRVNNFRIRVAZND-MRXNPFEDSA-N 0 3 298.386 2.559 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccccc2C)C1 ZINC001033647597 780741916 /nfs/dbraw/zinc/74/19/16/780741916.db2.gz CRMWCHAUXZBMTC-KRWDZBQOSA-N 0 3 286.419 2.646 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896248 780819180 /nfs/dbraw/zinc/81/91/80/780819180.db2.gz GZOZRHYHXSYWEM-ARFHVFGLSA-N 0 3 290.451 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033948819 780834573 /nfs/dbraw/zinc/83/45/73/780834573.db2.gz CQXUEMUXKFAIGF-HNNXBMFYSA-N 0 3 276.424 2.676 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001266245806 769824518 /nfs/dbraw/zinc/82/45/18/769824518.db2.gz GZPUAIQKTCRUOX-CVEARBPZSA-N 0 3 278.440 2.663 20 30 CFEDHN C=CCCC(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001266262056 769839555 /nfs/dbraw/zinc/83/95/55/769839555.db2.gz HSFCSIPTVQJMSZ-UHFFFAOYSA-N 0 3 278.371 2.670 20 30 CFEDHN CS[C@@H](C)CCN1CCN(c2cccc(C#N)c2)CC1 ZINC001208154207 769880338 /nfs/dbraw/zinc/88/03/38/769880338.db2.gz LKGMLAJIAATKNJ-AWEZNQCLSA-N 0 3 289.448 2.822 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039045895 769939944 /nfs/dbraw/zinc/93/99/44/769939944.db2.gz ISXROONKGDOTQM-QGZVFWFLSA-N 0 3 284.403 2.944 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)CCCc1ccc(C)cc1 ZINC001266321125 769959232 /nfs/dbraw/zinc/95/92/32/769959232.db2.gz RZNXWUUEGUFYGB-UHFFFAOYSA-N 0 3 288.435 2.942 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccccc1-n1cccc1 ZINC001266320265 769960204 /nfs/dbraw/zinc/96/02/04/769960204.db2.gz FNHDWNXKAXRWQE-UHFFFAOYSA-N 0 3 297.402 2.715 20 30 CFEDHN C=CCN(CCN1CCCC(F)(F)CC1)C(=O)OCC ZINC001209017512 769974142 /nfs/dbraw/zinc/97/41/42/769974142.db2.gz RDWJCRRFOCLSBL-UHFFFAOYSA-N 0 3 290.354 2.752 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)Cn1cc(C)c2ccccc21 ZINC001266337222 769981717 /nfs/dbraw/zinc/98/17/17/769981717.db2.gz BDRBISGOABIZQD-UHFFFAOYSA-N 0 3 299.418 2.574 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1cc2cc(C)ccc2o1 ZINC001266362731 770025299 /nfs/dbraw/zinc/02/52/99/770025299.db2.gz RTFBCEARTSMBTE-UHFFFAOYSA-N 0 3 286.375 2.979 20 30 CFEDHN C#CCCCN1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001209265526 770028296 /nfs/dbraw/zinc/02/82/96/770028296.db2.gz ADLRFTXMTLCBGQ-CYBMUJFWSA-N 0 3 265.303 2.831 20 30 CFEDHN C=CCN(CC)CCNC(=O)C1CCCCCC1 ZINC001266381018 770053304 /nfs/dbraw/zinc/05/33/04/770053304.db2.gz SHZOPPMZDVKGNO-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)c1cccc2cc[nH]c21 ZINC001167165823 770117859 /nfs/dbraw/zinc/11/78/59/770117859.db2.gz RDGSUFJEYKIKKZ-UHFFFAOYSA-N 0 3 291.782 2.630 20 30 CFEDHN CC#CCN[C@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC001266567459 770349435 /nfs/dbraw/zinc/34/94/35/770349435.db2.gz FFAHTMNJIIBPBI-HNNXBMFYSA-N 0 3 276.424 2.561 20 30 CFEDHN CC#CCN(CCC)CCNC(=O)CC1CC(C)(C)C1 ZINC001266568595 770353036 /nfs/dbraw/zinc/35/30/36/770353036.db2.gz PNVLLXDUANCKLP-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=C(C)CN(CCNC(=O)C1(C)CCCC1)C1CC1 ZINC001266604810 770412114 /nfs/dbraw/zinc/41/21/14/770412114.db2.gz RGPPWIRMEDDXNC-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C=C(C)CN(CCNC(=O)Cc1ccsc1C)C1CC1 ZINC001266613911 770433340 /nfs/dbraw/zinc/43/33/40/770433340.db2.gz LEWGOXNYERZRDN-UHFFFAOYSA-N 0 3 292.448 2.756 20 30 CFEDHN CCOC(=O)CCCCN(CCC#N)CC(C)C ZINC001167457830 770550371 /nfs/dbraw/zinc/55/03/71/770550371.db2.gz LQWGDHNDJUENEG-UHFFFAOYSA-N 0 3 254.374 2.591 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001038211037 770559294 /nfs/dbraw/zinc/55/92/94/770559294.db2.gz KHIJWFVTVVZSBN-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCC(F)F ZINC001266849810 770672343 /nfs/dbraw/zinc/67/23/43/770672343.db2.gz OKPRJONCQCZSMB-GFCCVEGCSA-N 0 3 274.355 2.579 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001022549434 770816999 /nfs/dbraw/zinc/81/69/99/770816999.db2.gz OPGCPMKOVHAMGN-MELADBBJSA-N 0 3 282.815 2.722 20 30 CFEDHN C#CCN[C@H]1CCN(C(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001267020796 770819778 /nfs/dbraw/zinc/81/97/78/770819778.db2.gz KRPXBCRMEDJVLH-SJORKVTESA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(Cl)CN[C@@H](C)CCNC(=O)/C=C(\C)C1CC1 ZINC001267121955 770922703 /nfs/dbraw/zinc/92/27/03/770922703.db2.gz NUULMUIJZZXADT-OANVXVOSSA-N 0 3 270.804 2.580 20 30 CFEDHN C=C(Cl)CN[C@H](C)CCNC(=O)/C=C(\C)C1CC1 ZINC001267121957 770922999 /nfs/dbraw/zinc/92/29/99/770922999.db2.gz NUULMUIJZZXADT-ZJNQMXKESA-N 0 3 270.804 2.580 20 30 CFEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@H]21 ZINC001042007901 770981362 /nfs/dbraw/zinc/98/13/62/770981362.db2.gz RHBJACKWJGUNRT-IAGOWNOFSA-N 0 3 288.435 2.513 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001267202708 773206454 /nfs/dbraw/zinc/20/64/54/773206454.db2.gz HKMSNMQXICBKBW-NEPJUHHUSA-N 0 3 292.345 2.589 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)c1ccc(C(C)C)nc1C ZINC001267218107 773217553 /nfs/dbraw/zinc/21/75/53/773217553.db2.gz XUBNVMGMBUGTKO-UHFFFAOYSA-N 0 3 289.423 2.751 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC001267231114 773233025 /nfs/dbraw/zinc/23/30/25/773233025.db2.gz ONNBLSRKNHEDHC-AWEZNQCLSA-N 0 3 292.398 2.628 20 30 CFEDHN C=CCN(CC)CCNC(=O)[C@H]1CCCCC1(C)C ZINC001267257453 775109867 /nfs/dbraw/zinc/10/98/67/775109867.db2.gz WPTBXGLTCQQACL-CQSZACIVSA-N 0 3 266.429 2.827 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C(C)(C)CCC)CC1 ZINC001224312581 775152974 /nfs/dbraw/zinc/15/29/74/775152974.db2.gz QLPDLEIAVUHAJZ-UHFFFAOYSA-N 0 3 278.440 2.664 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)CCc1ccc(C)s1 ZINC001267284121 775154102 /nfs/dbraw/zinc/15/41/02/775154102.db2.gz XSBWBLXGEKZNDU-CQSZACIVSA-N 0 3 292.448 2.756 20 30 CFEDHN C=C(C)CN(CCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C1CC1 ZINC001267328121 775208018 /nfs/dbraw/zinc/20/80/18/775208018.db2.gz LKPXKUPAFOMSLF-YCPHGPKFSA-N 0 3 276.424 2.579 20 30 CFEDHN C#CCN1CCC(CNC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001224672940 775243944 /nfs/dbraw/zinc/24/39/44/775243944.db2.gz OYFYKLAXVLKUAJ-INIZCTEOSA-N 0 3 298.430 2.560 20 30 CFEDHN C=CCCN1CC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038292554 775289928 /nfs/dbraw/zinc/28/99/28/775289928.db2.gz IDELAMDUTDPDTO-INIZCTEOSA-N 0 3 298.430 2.946 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC ZINC001224871399 775296125 /nfs/dbraw/zinc/29/61/25/775296125.db2.gz JCASJUPSAPTYOX-CHWSQXEVSA-N 0 3 272.820 2.946 20 30 CFEDHN C#CCNCCN(C)C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001267427166 775324156 /nfs/dbraw/zinc/32/41/56/775324156.db2.gz GPILPXYGCINIMW-INIZCTEOSA-N 0 3 286.419 2.560 20 30 CFEDHN CC#CCNCCN(C)C(=O)CC[C@@H](C)c1ccccc1 ZINC001267436489 775325320 /nfs/dbraw/zinc/32/53/20/775325320.db2.gz GPVOZSCAKRJSFR-MRXNPFEDSA-N 0 3 286.419 2.642 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C2(CC)CCCC2)CC1 ZINC001225055036 775345890 /nfs/dbraw/zinc/34/58/90/775345890.db2.gz ALGWVWAWAUQVKO-UHFFFAOYSA-N 0 3 290.451 2.808 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042207002 775409085 /nfs/dbraw/zinc/40/90/85/775409085.db2.gz LKGIRDBZOPUFOQ-KGLIPLIRSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(CN(C)C)cc1 ZINC001225335327 775417221 /nfs/dbraw/zinc/41/72/21/775417221.db2.gz ZSHDYJCCTQAKFR-AWEZNQCLSA-N 0 3 275.348 2.736 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001075505328 775424072 /nfs/dbraw/zinc/42/40/72/775424072.db2.gz YQCWYYKGHMIWTE-DOTOQJQBSA-N 0 3 284.403 2.717 20 30 CFEDHN C=CCNCc1ccc(CNC(=O)c2ccco2)c(F)c1 ZINC001279703995 775438299 /nfs/dbraw/zinc/43/82/99/775438299.db2.gz OEVQNDPXJBEJFB-UHFFFAOYSA-N 0 3 288.322 2.624 20 30 CFEDHN N#Cc1cccnc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001225404792 775442592 /nfs/dbraw/zinc/44/25/92/775442592.db2.gz CNVHPFZEQXMDAA-QGZVFWFLSA-N 0 3 293.370 2.997 20 30 CFEDHN N#Cc1cccnc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001225404790 775443268 /nfs/dbraw/zinc/44/32/68/775443268.db2.gz CNVHPFZEQXMDAA-KRWDZBQOSA-N 0 3 293.370 2.997 20 30 CFEDHN CC(C)(C)C#CC(=O)NCC[C@H]1CCN(C/C=C\Cl)C1 ZINC001267557083 775465922 /nfs/dbraw/zinc/46/59/22/775465922.db2.gz YCWRMAHADURXEK-DFGFTWQDSA-N 0 3 296.842 2.617 20 30 CFEDHN Cc1c(C)c(O[C@H]2CN3CCC2CC3)ccc1C#N ZINC001225514033 775487966 /nfs/dbraw/zinc/48/79/66/775487966.db2.gz WNHUNSUNYKOFOF-INIZCTEOSA-N 0 3 256.349 2.648 20 30 CFEDHN C=CCCCC(=O)N(C)C[C@@H](C)NCc1cc(C)ns1 ZINC001283665619 775500566 /nfs/dbraw/zinc/50/05/66/775500566.db2.gz XSVBYVFOVRUGOZ-CYBMUJFWSA-N 0 3 295.452 2.744 20 30 CFEDHN COc1cc(-n2nc(CN)c3ccccc32)ccc1CC#N ZINC001167697519 775525197 /nfs/dbraw/zinc/52/51/97/775525197.db2.gz DKXCEDFIKRSCEK-UHFFFAOYSA-N 0 3 292.342 2.559 20 30 CFEDHN N#CCc1cccc(-n2nc(CN)c3ccccc32)c1F ZINC001167697866 775526694 /nfs/dbraw/zinc/52/66/94/775526694.db2.gz ONVUDXKKXVIMED-UHFFFAOYSA-N 0 3 280.306 2.689 20 30 CFEDHN CC#CCCCC(=O)N1CC[C@H](CN(C)C/C=C/Cl)C1 ZINC001267588513 775529311 /nfs/dbraw/zinc/52/93/11/775529311.db2.gz VYZUBJCPHIAANK-JOZWUWCOSA-N 0 3 296.842 2.713 20 30 CFEDHN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C=C ZINC001025256467 775581748 /nfs/dbraw/zinc/58/17/48/775581748.db2.gz XMVOAOOYDRPSKY-JKSUJKDBSA-N 0 3 288.435 2.677 20 30 CFEDHN C#CCN1CCC[C@H]([C@H](C)NC(=O)c2cscc2C)C1 ZINC001025380796 775630188 /nfs/dbraw/zinc/63/01/88/775630188.db2.gz JXSOFDHOPWCGAH-KBPBESRZSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2ccsc2C)C1 ZINC001025413308 775649051 /nfs/dbraw/zinc/64/90/51/775649051.db2.gz HESWIHUZNVFZSN-OCCSQVGLSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC001025535354 775693054 /nfs/dbraw/zinc/69/30/54/775693054.db2.gz PXGQCZGVVPSVCQ-IAGOWNOFSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC001025611767 775709674 /nfs/dbraw/zinc/70/96/74/775709674.db2.gz PGAUXHNKUGZFAC-FUHWJXTLSA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@H](C)CC(C)(C)C ZINC000328198249 775732164 /nfs/dbraw/zinc/73/21/64/775732164.db2.gz SENBMZOQFFNBDS-AWEZNQCLSA-N 0 3 266.429 2.520 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCC1 ZINC001267701048 775790316 /nfs/dbraw/zinc/79/03/16/775790316.db2.gz VTSKQHSBDXDPCY-HOTGVXAUSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCCCN1CC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001267728034 775821300 /nfs/dbraw/zinc/82/13/00/775821300.db2.gz ZYHSUIFILDMDFT-ZDUSSCGKSA-N 0 3 299.374 2.598 20 30 CFEDHN CCCCCCCN1CC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001267735873 775833067 /nfs/dbraw/zinc/83/30/67/775833067.db2.gz KXQRIGXAOJKCGR-GFCCVEGCSA-N 0 3 276.371 2.803 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001267740730 775854860 /nfs/dbraw/zinc/85/48/60/775854860.db2.gz RIPMLKDSYOKQTC-GOSISDBHSA-N 0 3 298.430 2.743 20 30 CFEDHN N#Cc1cncc(O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001226684531 775919206 /nfs/dbraw/zinc/91/92/06/775919206.db2.gz NFMSTIAHPUXOLS-MRXNPFEDSA-N 0 3 279.343 2.607 20 30 CFEDHN C=CCCC(=O)NC[C@H](CC)NCc1ccnc(Cl)c1 ZINC001267797862 775939442 /nfs/dbraw/zinc/93/94/42/775939442.db2.gz NGIJRLSGAYOTJS-ZDUSSCGKSA-N 0 3 295.814 2.686 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC001267885083 776011017 /nfs/dbraw/zinc/01/10/17/776011017.db2.gz KNORIUHIUAXBCV-ZDUSSCGKSA-N 0 3 295.814 2.599 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(F)F)C1 ZINC001207491663 776070302 /nfs/dbraw/zinc/07/03/02/776070302.db2.gz KVSFVMBKVFLVPQ-VXGBXAGGSA-N 0 3 288.382 2.680 20 30 CFEDHN C#CCCCC(=O)NC1CCN(Cc2ccc(C)cc2)CC1 ZINC001227076664 776085462 /nfs/dbraw/zinc/08/54/62/776085462.db2.gz PLVNBRJJCXAFMX-UHFFFAOYSA-N 0 3 298.430 2.879 20 30 CFEDHN C=CCc1c(O)ccc(C(C)=O)c1O[C@H]1CCCN(C)C1 ZINC001227120758 776106290 /nfs/dbraw/zinc/10/62/90/776106290.db2.gz SQDHORJFPRIMJJ-ZDUSSCGKSA-N 0 3 289.375 2.796 20 30 CFEDHN CC(C)CC(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001026650106 776116246 /nfs/dbraw/zinc/11/62/46/776116246.db2.gz FZQJTBPSWQUJLG-HNNXBMFYSA-N 0 3 299.418 2.542 20 30 CFEDHN N#Cc1ccc([O-])c(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001227348699 776181954 /nfs/dbraw/zinc/18/19/54/776181954.db2.gz BHKKGUCOCVWHNT-UHFFFAOYSA-N 0 3 295.342 2.707 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)C(=C)Cl)CC1 ZINC001227536405 776223206 /nfs/dbraw/zinc/22/32/06/776223206.db2.gz QSGCNUQEDMRDMR-UHFFFAOYSA-N 0 3 270.804 2.532 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001277217940 776224302 /nfs/dbraw/zinc/22/43/02/776224302.db2.gz NXYJPMBVSCCRLO-AWEZNQCLSA-N 0 3 278.440 2.711 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC001027485677 776333823 /nfs/dbraw/zinc/33/38/23/776333823.db2.gz HKSLAJXPOZCVBD-QGZVFWFLSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cc(Cl)cs2)C1 ZINC001027604560 776377636 /nfs/dbraw/zinc/37/76/36/776377636.db2.gz RVKRURIHSYPOMJ-LBPRGKRZSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(CC)CCCC2)C1 ZINC001027634694 776389619 /nfs/dbraw/zinc/38/96/19/776389619.db2.gz BOUVYTVJRBKLGV-HNNXBMFYSA-N 0 3 276.424 2.513 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001027698104 776411953 /nfs/dbraw/zinc/41/19/53/776411953.db2.gz CQHJXTUTXILZGP-UPTPFMHGSA-N 0 3 290.451 2.759 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@@H]1CC[C@H](C2CC2)O1 ZINC000722332953 776479442 /nfs/dbraw/zinc/47/94/42/776479442.db2.gz UZEGBMDXBQZOKC-DLBZAZTESA-N 0 3 255.361 2.585 20 30 CFEDHN C=CCc1cc(OC)c(O[C@@H]2CCN(CC)C2)c(OC)c1 ZINC001228427249 776488261 /nfs/dbraw/zinc/48/82/61/776488261.db2.gz FNGIWSGBSVUKIM-CQSZACIVSA-N 0 3 291.391 2.905 20 30 CFEDHN C=C(Cl)CNCCC[C@@H](C)NC(=O)[C@H](C)C(C)(F)F ZINC001277299531 776489622 /nfs/dbraw/zinc/48/96/22/776489622.db2.gz VKOIJRDUUWEPTG-MNOVXSKESA-N 0 3 296.789 2.905 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027904492 776501878 /nfs/dbraw/zinc/50/18/78/776501878.db2.gz UUGRLYVDRRVRDA-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CF)CC1 ZINC001228510729 776509410 /nfs/dbraw/zinc/50/94/10/776509410.db2.gz QWYSNLHJJFTAGE-VXGBXAGGSA-N 0 3 288.794 2.506 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027968151 776532784 /nfs/dbraw/zinc/53/27/84/776532784.db2.gz KQGBPGKZXPTPTC-QLFBSQMISA-N 0 3 290.432 2.618 20 30 CFEDHN C#Cc1ccc(C(=O)NC[C@H]2CCCN2CC=C(C)C)cc1 ZINC001028066737 776582206 /nfs/dbraw/zinc/58/22/06/776582206.db2.gz HTFJESJTGDJHJC-GOSISDBHSA-N 0 3 296.414 2.828 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001228775041 776607481 /nfs/dbraw/zinc/60/74/81/776607481.db2.gz ZNYCAWRVILHNKI-ZDUSSCGKSA-N 0 3 289.335 2.718 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001038883598 776642376 /nfs/dbraw/zinc/64/23/76/776642376.db2.gz DEQRWZDVZYVANI-GJZGRUSLSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001028135293 776651460 /nfs/dbraw/zinc/65/14/60/776651460.db2.gz PCIQMGFSRLNJBH-OLZOCXBDSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C(C)(C)C ZINC001277340862 776655806 /nfs/dbraw/zinc/65/58/06/776655806.db2.gz WZNINZDWQZIGCP-WVYYZCOMSA-N 0 3 276.424 2.840 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2C#N)C1 ZINC001228926211 776659211 /nfs/dbraw/zinc/65/92/11/776659211.db2.gz HXYRFRNZQCFRDV-AWEZNQCLSA-N 0 3 289.335 2.718 20 30 CFEDHN C=C(C)CN1CCC[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001268194717 776698687 /nfs/dbraw/zinc/69/86/87/776698687.db2.gz LQCFQYQEJLZWSM-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001028202585 776706931 /nfs/dbraw/zinc/70/69/31/776706931.db2.gz DXSCCCADIUQBQH-CQSZACIVSA-N 0 3 278.421 2.827 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)CCCc1ccsc1 ZINC001268241853 776718423 /nfs/dbraw/zinc/71/84/23/776718423.db2.gz ZIZBAAQGPLTRFV-UHFFFAOYSA-N 0 3 280.437 2.647 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)c1cc[nH]c1C(C)C ZINC001268247808 776720795 /nfs/dbraw/zinc/72/07/95/776720795.db2.gz QENIAIRAYNGIPU-UHFFFAOYSA-N 0 3 277.412 2.718 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1cccc(C)c1Cl ZINC001268252696 776721898 /nfs/dbraw/zinc/72/18/98/776721898.db2.gz VUTQFSHHJWSKNA-UHFFFAOYSA-N 0 3 280.799 2.838 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1scnc1C(C)(C)C ZINC001268254053 776723696 /nfs/dbraw/zinc/72/36/96/776723696.db2.gz VELQOZLKQWYLHH-UHFFFAOYSA-N 0 3 295.452 2.630 20 30 CFEDHN N#Cc1cc(F)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001139873602 776834114 /nfs/dbraw/zinc/83/41/14/776834114.db2.gz XUBCQZDUPRVLOU-ZBFHGGJFSA-N 0 3 274.339 2.698 20 30 CFEDHN CC(C)N1CCC[C@H](Oc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC001229599547 776854103 /nfs/dbraw/zinc/85/41/03/776854103.db2.gz GTANKNAUPHPYNF-ZDUSSCGKSA-N 0 3 289.335 2.718 20 30 CFEDHN C#CCCN1CCC[C@H]1CNC(=O)c1sccc1CC ZINC001028331540 776857819 /nfs/dbraw/zinc/85/78/19/776857819.db2.gz HNJRKCRJMZAEME-AWEZNQCLSA-N 0 3 290.432 2.528 20 30 CFEDHN N#CCCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000425972183 776872073 /nfs/dbraw/zinc/87/20/73/776872073.db2.gz WQPVBGZAOQMKTH-GXTWGEPZSA-N 0 3 273.336 2.809 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)CC[C@H](C)CC)CC1 ZINC001229716153 776878249 /nfs/dbraw/zinc/87/82/49/776878249.db2.gz TXUCWHPDWAHHTM-OAHLLOKOSA-N 0 3 296.455 2.596 20 30 CFEDHN CC#CCN1CCC(CNC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001225207725 776881588 /nfs/dbraw/zinc/88/15/88/776881588.db2.gz ZEXOXNHHNLELSB-QGZVFWFLSA-N 0 3 292.467 2.910 20 30 CFEDHN C=CCOCCN1CCC(NC(=O)CC(CC)CC)CC1 ZINC001229776179 776891206 /nfs/dbraw/zinc/89/12/06/776891206.db2.gz MBQZMZBFMMGFFW-UHFFFAOYSA-N 0 3 296.455 2.596 20 30 CFEDHN CCN1CCC[C@@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838481 776900553 /nfs/dbraw/zinc/90/05/53/776900553.db2.gz RUCHUJCFVPIOGP-LLVKDONJSA-N 0 3 266.291 2.700 20 30 CFEDHN C=C(C)CCC(=O)NC/C=C/CNCc1cncc(C)c1 ZINC001268545719 776926411 /nfs/dbraw/zinc/92/64/11/776926411.db2.gz SMFHOLGAQOTAOT-SNAWJCMRSA-N 0 3 287.407 2.508 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028555227 776945606 /nfs/dbraw/zinc/94/56/06/776945606.db2.gz UGCYBIBHCZAEOA-AWEZNQCLSA-N 0 3 296.370 2.508 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001028561635 776945779 /nfs/dbraw/zinc/94/57/79/776945779.db2.gz BMBSNPPYADIRQL-SJORKVTESA-N 0 3 288.435 2.584 20 30 CFEDHN C=C1CCC(C(=O)NC/C=C\CNCc2cccnc2)CC1 ZINC001268588201 776966222 /nfs/dbraw/zinc/96/62/22/776966222.db2.gz PEGDXFFALJSQFM-IHWYPQMZSA-N 0 3 299.418 2.590 20 30 CFEDHN CN(CCc1ccccc1)Cc1cncc(C#N)c1 ZINC000721545998 777001674 /nfs/dbraw/zinc/00/16/74/777001674.db2.gz VALKYMIRTVPXMN-UHFFFAOYSA-N 0 3 251.333 2.628 20 30 CFEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)/C=C/C(C)(C)C ZINC001268640026 777005525 /nfs/dbraw/zinc/00/55/25/777005525.db2.gz QNUULNRMWKERAF-CJTWTEFWSA-N 0 3 298.430 2.735 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230588033 777019808 /nfs/dbraw/zinc/01/98/08/777019808.db2.gz LGBHBTVMSLWVRM-KBPBESRZSA-N 0 3 276.380 2.781 20 30 CFEDHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C[C@H](C)C1CC1 ZINC001268716594 777029613 /nfs/dbraw/zinc/02/96/13/777029613.db2.gz HDNMNLIFVVQKLU-HOTGVXAUSA-N 0 3 298.430 2.569 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001230646624 777035833 /nfs/dbraw/zinc/03/58/33/777035833.db2.gz SKXJZCSSYBGNNE-MRXNPFEDSA-N 0 3 290.382 2.938 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC1CCCC1 ZINC001230665024 777039637 /nfs/dbraw/zinc/03/96/37/777039637.db2.gz QTWHFOGENWVDLT-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1C ZINC001268745388 777042764 /nfs/dbraw/zinc/04/27/64/777042764.db2.gz IBNUGXCTFOYTLU-GFCCVEGCSA-N 0 3 280.799 2.885 20 30 CFEDHN C=CCN(C)C[C@@H](C)NC(=O)[C@@](C)(CC)CCC ZINC001268749854 777043764 /nfs/dbraw/zinc/04/37/64/777043764.db2.gz BHTUESOERURCHA-HIFRSBDPSA-N 0 3 254.418 2.825 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)c1csc2c1CCCC2 ZINC001268756283 777045520 /nfs/dbraw/zinc/04/55/20/777045520.db2.gz IZDYUSPMSIBTKI-LBPRGKRZSA-N 0 3 292.448 2.863 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001230734527 777052869 /nfs/dbraw/zinc/05/28/69/777052869.db2.gz FPMLUIPUIIITDM-CVEARBPZSA-N 0 3 276.424 2.842 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230780738 777061914 /nfs/dbraw/zinc/06/19/14/777061914.db2.gz DETYODFKCCFJHZ-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CCC(C)C ZINC001268922525 777073800 /nfs/dbraw/zinc/07/38/00/777073800.db2.gz REMSEIMBSDMXDL-GJZGRUSLSA-N 0 3 264.413 2.674 20 30 CFEDHN CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)CCS ZINC001268959842 777079606 /nfs/dbraw/zinc/07/96/06/777079606.db2.gz NDBLUFQMPFZUAQ-KFWWJZLASA-N 0 3 298.496 2.808 20 30 CFEDHN C=CCCCCCN1CC[C@@H](NC(=O)c2nccs2)C1 ZINC001269183484 777132285 /nfs/dbraw/zinc/13/22/85/777132285.db2.gz XCLZJGJECIVSDK-CYBMUJFWSA-N 0 3 293.436 2.694 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@@H]1CNC(=O)c1occc1C ZINC001269195172 777136300 /nfs/dbraw/zinc/13/63/00/777136300.db2.gz MMGJOJSYPRNQSW-ZIAGYGMSSA-N 0 3 276.380 2.747 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231094675 777140347 /nfs/dbraw/zinc/14/03/47/777140347.db2.gz IMRNIPBKXUKLTB-JKSUJKDBSA-N 0 3 296.455 2.691 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001269215102 777141569 /nfs/dbraw/zinc/14/15/69/777141569.db2.gz NGQCKRCXJYLKRN-CVEARBPZSA-N 0 3 296.455 2.716 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H](CC)CC(F)F)C1 ZINC001269245601 777148689 /nfs/dbraw/zinc/14/86/89/777148689.db2.gz JRPUSVHSSZTLMA-STQMWFEESA-N 0 3 288.382 2.777 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)[C@H](CC)CC(F)F ZINC001269249164 777149476 /nfs/dbraw/zinc/14/94/76/777149476.db2.gz QEYIFJGCRXQIPS-CHWSQXEVSA-N 0 3 288.382 2.825 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@H]1CCN1CCCC ZINC001269278772 777155202 /nfs/dbraw/zinc/15/52/02/777155202.db2.gz PDDIHMCQUWRJID-ZIAGYGMSSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001269279244 777157478 /nfs/dbraw/zinc/15/74/78/777157478.db2.gz XOLICZMPQHHUCY-ZFWWWQNUSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H]1CCN1CC1CC(C)C1 ZINC001269309196 777164479 /nfs/dbraw/zinc/16/44/79/777164479.db2.gz FWWAKRIQJHKSEM-YMAMQOFZSA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231177321 777165476 /nfs/dbraw/zinc/16/54/76/777165476.db2.gz DAEAHBCEAVTOCD-CABCVRRESA-N 0 3 266.429 2.777 20 30 CFEDHN C#CCCCC(=O)N(CC)[C@@H]1CCN(CC=C(C)C)C1 ZINC001269324227 777169838 /nfs/dbraw/zinc/16/98/38/777169838.db2.gz HZAGQFKQZWMJGE-MRXNPFEDSA-N 0 3 276.424 2.679 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C(CC=C)CC=C)C1 ZINC001269329754 777171738 /nfs/dbraw/zinc/17/17/38/777171738.db2.gz BDBVJYBEPBPIKR-KRWDZBQOSA-N 0 3 288.435 2.701 20 30 CFEDHN C=C[C@@H](C(=O)NC[C@H]1CCN1CCC)c1ccccc1 ZINC001269351793 777175726 /nfs/dbraw/zinc/17/57/26/777175726.db2.gz REJIKHGONSGSTC-HZPDHXFCSA-N 0 3 272.392 2.557 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)CCCOC(C)C)C1 ZINC001269360615 777178433 /nfs/dbraw/zinc/17/84/33/777178433.db2.gz GDEJAZMSBOYZES-MRXNPFEDSA-N 0 3 296.455 2.691 20 30 CFEDHN Cc1ccc(CNC2(CNC(=O)C#CC(C)(C)C)CC2)cc1 ZINC001269411655 777186255 /nfs/dbraw/zinc/18/62/55/777186255.db2.gz OWYYGXKDUOSTGO-UHFFFAOYSA-N 0 3 298.430 2.783 20 30 CFEDHN C=CCC(C)(C)C(=O)NCC1(NC/C=C/Cl)CC1 ZINC001269497123 777199738 /nfs/dbraw/zinc/19/97/38/777199738.db2.gz JEYNEMLCZBVOAT-WEVVVXLNSA-N 0 3 270.804 2.580 20 30 CFEDHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCC ZINC001269601779 777219556 /nfs/dbraw/zinc/21/95/56/777219556.db2.gz ODAWKUNHBHPBCC-BBWFWOEESA-N 0 3 290.451 2.901 20 30 CFEDHN C=C(Cl)CNC[C@](C)(NC(=O)C#CC(C)(C)C)C1CC1 ZINC001269615585 777222059 /nfs/dbraw/zinc/22/20/59/777222059.db2.gz UQLUFTQAQAWCRG-INIZCTEOSA-N 0 3 296.842 2.663 20 30 CFEDHN C#CCN1CCC2(CCN(C(=O)C(C)(C)CC=C)C2)CC1 ZINC001269714213 777235649 /nfs/dbraw/zinc/23/56/49/777235649.db2.gz QEVIZCMFNNGHDO-UHFFFAOYSA-N 0 3 288.435 2.536 20 30 CFEDHN CCN1CC[C@H](Oc2cc(Br)ccc2C#N)C1 ZINC001225786014 777277362 /nfs/dbraw/zinc/27/73/62/777277362.db2.gz HTDLBRKKNZCRJE-LBPRGKRZSA-N 0 3 295.180 2.794 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001231624806 777283565 /nfs/dbraw/zinc/28/35/65/777283565.db2.gz WYRFUJKIBQMMDV-IYBDPMFKSA-N 0 3 272.392 2.530 20 30 CFEDHN C#CCN1CCN(Cc2c(C)sc3ccccc32)CC1 ZINC001231649946 777292911 /nfs/dbraw/zinc/29/29/11/777292911.db2.gz UONSNEMBFAKPTG-UHFFFAOYSA-N 0 3 284.428 2.961 20 30 CFEDHN C#Cc1cccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001231659440 777298935 /nfs/dbraw/zinc/29/89/35/777298935.db2.gz LROBFTIBVUQMDD-INIZCTEOSA-N 0 3 285.387 2.832 20 30 CFEDHN C#Cc1cccc(CN2CCC(N(CC)C(C)=O)CC2)c1 ZINC001231662783 777299176 /nfs/dbraw/zinc/29/91/76/777299176.db2.gz GQTFSSGBSUGNPD-UHFFFAOYSA-N 0 3 284.403 2.501 20 30 CFEDHN C#Cc1cccc(CN2CCC[C@@H](Oc3ncccn3)C2)c1 ZINC001231663454 777299865 /nfs/dbraw/zinc/29/98/65/777299865.db2.gz MIHILVWUJVWAQN-QGZVFWFLSA-N 0 3 293.370 2.501 20 30 CFEDHN C=CCN1CCC(C)(NC(=O)[C@@H](CC)CCC)CC1 ZINC001270255515 777342483 /nfs/dbraw/zinc/34/24/83/777342483.db2.gz KEELJEJJOAWIKI-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN CC(C)(O)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000721771116 777342508 /nfs/dbraw/zinc/34/25/08/777342508.db2.gz FYGVAEMDCIVYMI-ZDUSSCGKSA-N 0 3 278.783 2.804 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC001028957592 777343029 /nfs/dbraw/zinc/34/30/29/777343029.db2.gz YOGNHZVQXOJYQU-OAHLLOKOSA-N 0 3 296.414 2.639 20 30 CFEDHN C#CCN1CC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC001028962050 777346882 /nfs/dbraw/zinc/34/68/82/777346882.db2.gz MRERPFGYKRJBIM-OAHLLOKOSA-N 0 3 292.382 2.525 20 30 CFEDHN C#CCN1CC[C@@H](CNC(=O)c2ccc(CC(C)C)cc2)C1 ZINC001028974095 777352040 /nfs/dbraw/zinc/35/20/40/777352040.db2.gz APQCJMTVQOUXMD-KRWDZBQOSA-N 0 3 298.430 2.570 20 30 CFEDHN CC#CCN1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001028999597 777367676 /nfs/dbraw/zinc/36/76/76/777367676.db2.gz OQKPGJQDPNVTQI-OAHLLOKOSA-N 0 3 296.414 2.639 20 30 CFEDHN C=C(C)CCC(=O)N(C)C1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001277603146 777420605 /nfs/dbraw/zinc/42/06/05/777420605.db2.gz OEIOKVBBFGGZOJ-OWCLPIDISA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)CC[C@@H](C)CC)C1 ZINC001270643244 777437232 /nfs/dbraw/zinc/43/72/32/777437232.db2.gz UCEOCBHZPXRBRD-HOCLYGCPSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN1CC[C@](C)(NC(=O)[C@H](CC)CCC)C1 ZINC001270642006 777439067 /nfs/dbraw/zinc/43/90/67/777439067.db2.gz JQRIHSRGSOQDQF-ZBFHGGJFSA-N 0 3 266.429 2.969 20 30 CFEDHN CCN(CCOC)Cc1ccc(C#N)c(Cl)c1 ZINC001232110740 777442642 /nfs/dbraw/zinc/44/26/42/777442642.db2.gz UIFMICRBKMLRMK-UHFFFAOYSA-N 0 3 252.745 2.680 20 30 CFEDHN CC#CCN(C)CCCN(C)C(=O)C[C@@H](CC)C(C)C ZINC001280873113 777468012 /nfs/dbraw/zinc/46/80/12/777468012.db2.gz JRKJYDVODNHGCG-MRXNPFEDSA-N 0 3 280.456 2.862 20 30 CFEDHN COc1cc(C)c(CN2CCC(CC#N)CC2)cn1 ZINC001232352110 777534868 /nfs/dbraw/zinc/53/48/68/777534868.db2.gz GMGAJGQRVLWPAA-UHFFFAOYSA-N 0 3 259.353 2.524 20 30 CFEDHN N#Cc1cccc(C2CCN(Cc3ccc(N)nc3)CC2)c1 ZINC001232368729 777536910 /nfs/dbraw/zinc/53/69/10/777536910.db2.gz YBKLQDCJRXWFRU-UHFFFAOYSA-N 0 3 292.386 2.915 20 30 CFEDHN C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(CC#CC)CC1(C)C ZINC001281553861 777565247 /nfs/dbraw/zinc/56/52/47/777565247.db2.gz TVGYZILAKMRGTG-JKSUJKDBSA-N 0 3 290.451 2.829 20 30 CFEDHN N#Cc1ccnc(CN2CCC[C@@H]2Cc2ccccn2)c1 ZINC001232480898 777576116 /nfs/dbraw/zinc/57/61/16/777576116.db2.gz NIHFKLVCFUMVRN-QGZVFWFLSA-N 0 3 278.359 2.555 20 30 CFEDHN CC#CCN[C@H](C)c1ccc(CNC(=O)C2CCC2)cc1 ZINC001280341104 777617520 /nfs/dbraw/zinc/61/75/20/777617520.db2.gz VKEWXYWGEZHLTO-CQSZACIVSA-N 0 3 284.403 2.777 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2ncccc2C)[C@H]1CC ZINC001087536154 777618993 /nfs/dbraw/zinc/61/89/93/777618993.db2.gz WGMBYRYBGYUXDF-LSDHHAIUSA-N 0 3 287.407 2.549 20 30 CFEDHN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1ccccc1F ZINC001271067684 777641572 /nfs/dbraw/zinc/64/15/72/777641572.db2.gz IWXMUVRQXKMVQR-ZDUSSCGKSA-N 0 3 292.398 2.974 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]1CC ZINC001087670159 777675188 /nfs/dbraw/zinc/67/51/88/777675188.db2.gz GEKPUSNICQCHIK-SVZOTFJBSA-N 0 3 276.424 2.578 20 30 CFEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1CC ZINC001087688580 777679051 /nfs/dbraw/zinc/67/90/51/777679051.db2.gz MVPIMTFSLAJIQV-IXDOHACOSA-N 0 3 288.435 2.725 20 30 CFEDHN CC1(C)CN(Cc2ccc(C#N)s2)[C@](C)(CO)C1 ZINC001232842333 777689714 /nfs/dbraw/zinc/68/97/14/777689714.db2.gz YKXSRLOSYVSTTP-AWEZNQCLSA-N 0 3 264.394 2.603 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1CC ZINC001087740429 777691024 /nfs/dbraw/zinc/69/10/24/777691024.db2.gz DXQQFZYKSDHTOX-JKSUJKDBSA-N 0 3 290.382 2.903 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cn2)[C@H]1CC ZINC001087804731 777701653 /nfs/dbraw/zinc/70/16/53/777701653.db2.gz SFBYREZMAXAYJG-GXTWGEPZSA-N 0 3 293.798 2.504 20 30 CFEDHN Cc1ccc(CN(C)CC2CCOCC2)c(C#N)c1 ZINC001232963169 777741036 /nfs/dbraw/zinc/74/10/36/777741036.db2.gz YSXWOTHCRRXBNN-UHFFFAOYSA-N 0 3 258.365 2.725 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029454312 777742130 /nfs/dbraw/zinc/74/21/30/777742130.db2.gz YLIOCQNNXJRDQE-UXLLHSPISA-N 0 3 276.424 2.674 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001075828575 777771172 /nfs/dbraw/zinc/77/11/72/777771172.db2.gz WBWOXOVUJKWEON-IXDOHACOSA-N 0 3 288.435 2.842 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001233082766 777792055 /nfs/dbraw/zinc/79/20/55/777792055.db2.gz YEQDVPLNXXMXMN-SFHVURJKSA-N 0 3 293.370 2.915 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001233082364 777792091 /nfs/dbraw/zinc/79/20/91/777792091.db2.gz JZNKYSUSKIUVLE-OAHLLOKOSA-N 0 3 292.329 2.867 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC[C@]2(CCC(=O)O2)C1 ZINC001233083200 777792996 /nfs/dbraw/zinc/79/29/96/777792996.db2.gz AFJNHZHSOZNHFP-KRWDZBQOSA-N 0 3 284.359 2.538 20 30 CFEDHN C=C(Cl)CN[C@H]1CCCCCN(C(=O)CC)C1 ZINC001088241356 777910298 /nfs/dbraw/zinc/91/02/98/777910298.db2.gz WYCQVNLEZXPXQJ-LBPRGKRZSA-N 0 3 258.793 2.510 20 30 CFEDHN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)c([O-])c1 ZINC001233386022 777927269 /nfs/dbraw/zinc/92/72/69/777927269.db2.gz BUMSGTMQHTYSHF-QGZVFWFLSA-N 0 3 299.418 2.714 20 30 CFEDHN N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCCC2)c([O-])c1 ZINC001233386022 777927270 /nfs/dbraw/zinc/92/72/70/777927270.db2.gz BUMSGTMQHTYSHF-QGZVFWFLSA-N 0 3 299.418 2.714 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)c2ccc[nH]2)C1 ZINC001088262957 777942539 /nfs/dbraw/zinc/94/25/39/777942539.db2.gz QZNBMJHJLOIPAK-CYBMUJFWSA-N 0 3 295.814 2.742 20 30 CFEDHN CC(C)N1CC[C@@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233526358 777979941 /nfs/dbraw/zinc/97/99/41/777979941.db2.gz PORSAKSWQAXNQV-OAHLLOKOSA-N 0 3 272.348 2.644 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001088388652 778056140 /nfs/dbraw/zinc/05/61/40/778056140.db2.gz ARWZZFYNHPLCNL-KGLIPLIRSA-N 0 3 296.842 2.900 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C[C@H]1CCC[C@@H]1C ZINC001272019869 778155344 /nfs/dbraw/zinc/15/53/44/778155344.db2.gz CRJJCFJHTUASST-LSDHHAIUSA-N 0 3 266.429 2.779 20 30 CFEDHN CCC/C=C/CCN1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234178998 778181612 /nfs/dbraw/zinc/18/16/12/778181612.db2.gz RHRDTRPRTMGDCN-RTRPANQVSA-N 0 3 288.435 2.679 20 30 CFEDHN CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)C#CC1CC1 ZINC001234186099 778182869 /nfs/dbraw/zinc/18/28/69/778182869.db2.gz DIBCYHJWLZZRME-KRWDZBQOSA-N 0 3 288.435 2.513 20 30 CFEDHN CC/C=C\CCN1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206112 778186512 /nfs/dbraw/zinc/18/65/12/778186512.db2.gz MZYPHCHWHUYBSI-PTZVLDCSSA-N 0 3 290.451 2.925 20 30 CFEDHN C=C[C@@H](C)Oc1c(F)cc(CN(C)C)cc1OC ZINC001234238545 778192119 /nfs/dbraw/zinc/19/21/19/778192119.db2.gz MCGGMRAFDPMOIH-SNVBAGLBSA-N 0 3 253.317 2.849 20 30 CFEDHN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001272042660 778216363 /nfs/dbraw/zinc/21/63/63/778216363.db2.gz HYVXKRKJHISTIL-HUUCEWRRSA-N 0 3 276.424 2.840 20 30 CFEDHN Cc1occc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127589134 778220256 /nfs/dbraw/zinc/22/02/56/778220256.db2.gz BNCFEVVNXAGWTL-CQSZACIVSA-N 0 3 282.299 2.858 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)C1CCC2(CC2)CC1 ZINC001272067080 778249895 /nfs/dbraw/zinc/24/98/95/778249895.db2.gz BHHMMYZUTATYCU-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001234561716 778250876 /nfs/dbraw/zinc/25/08/76/778250876.db2.gz BQAYVRFYOPQBJF-ZDUSSCGKSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234554046 778251020 /nfs/dbraw/zinc/25/10/20/778251020.db2.gz CXDLBEVXITWXIK-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC001088584373 778304181 /nfs/dbraw/zinc/30/41/81/778304181.db2.gz QORFEGWOOIOLFD-CJNGLKHVSA-N 0 3 296.370 2.649 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1C ZINC001088654935 778377315 /nfs/dbraw/zinc/37/73/15/778377315.db2.gz FTYYWNWRDGWFJX-GUTXKFCHSA-N 0 3 264.413 2.578 20 30 CFEDHN CCCC[C@@H](CC)CN1C[C@H]2CN(CCC#N)C[C@@H](C1)O2 ZINC001277936163 778451830 /nfs/dbraw/zinc/45/18/30/778451830.db2.gz AXEUJGCCWXIVDR-ZACQAIPSSA-N 0 3 293.455 2.501 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1C ZINC001088724446 778459985 /nfs/dbraw/zinc/45/99/85/778459985.db2.gz FYRQRIYGXIJYIR-DOMZBBRYSA-N 0 3 290.407 2.974 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC001088752701 778470635 /nfs/dbraw/zinc/47/06/35/778470635.db2.gz BKMORWILJXODNS-HIFRSBDPSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@H]1C ZINC001088760586 778479715 /nfs/dbraw/zinc/47/97/15/778479715.db2.gz LPYFFUIXPXIRLN-QSOKESPWSA-N 0 3 298.430 2.729 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764243 778482226 /nfs/dbraw/zinc/48/22/26/778482226.db2.gz ROSZCKAVXPFDRW-UUAJXVIYSA-N 0 3 290.451 2.968 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC001088775612 778486496 /nfs/dbraw/zinc/48/64/96/778486496.db2.gz FAPBKTMPJZJESL-HIFRSBDPSA-N 0 3 276.424 2.722 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001235682420 778535986 /nfs/dbraw/zinc/53/59/86/778535986.db2.gz DIOWGXJGPQSAOG-OLZOCXBDSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001076598006 778598063 /nfs/dbraw/zinc/59/80/63/778598063.db2.gz NKOOILBJMAYFRZ-XYJFISCASA-N 0 3 298.430 2.817 20 30 CFEDHN N#Cc1ccc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c([O-])c1 ZINC001236654642 778905623 /nfs/dbraw/zinc/90/56/23/778905623.db2.gz QORVDLUVGMENFZ-QGZVFWFLSA-N 0 3 299.418 2.760 20 30 CFEDHN CC#CCN[C@H](C)CN(C)C(=O)c1cccc(C(F)F)c1 ZINC001277995779 778907664 /nfs/dbraw/zinc/90/76/64/778907664.db2.gz VMJHKXSIDQBZAP-GFCCVEGCSA-N 0 3 294.345 2.698 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC001088896578 778938785 /nfs/dbraw/zinc/93/87/85/778938785.db2.gz QWXPTAMUCMMIMQ-PBHICJAKSA-N 0 3 297.402 2.708 20 30 CFEDHN N#CCCN1CCN(Cc2cc3ccccc3cc2O)CC1 ZINC001236841847 778961840 /nfs/dbraw/zinc/96/18/40/778961840.db2.gz PTIKDEUJEDUCJV-UHFFFAOYSA-N 0 3 295.386 2.577 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC001088993785 778969468 /nfs/dbraw/zinc/96/94/68/778969468.db2.gz BIVKVFMNPQSPDA-VQHPVUNQSA-N 0 3 290.451 2.805 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC001089022037 778977082 /nfs/dbraw/zinc/97/70/82/778977082.db2.gz WNSGQJAUJFYEHQ-HIFRSBDPSA-N 0 3 296.370 2.649 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC001089058670 778984522 /nfs/dbraw/zinc/98/45/22/778984522.db2.gz CPSKRRNALOYPDK-HIFRSBDPSA-N 0 3 292.448 2.754 20 30 CFEDHN C#CCOc1ccc(CN2CCNC3=CCCC[C@H]32)cc1 ZINC001237226527 779055228 /nfs/dbraw/zinc/05/52/28/779055228.db2.gz XNUFDPGGTKWAMP-GOSISDBHSA-N 0 3 282.387 2.540 20 30 CFEDHN N#Cc1cc(CN2CCN3CCCC[C@H]3C2)c(F)cc1F ZINC001237526751 779127032 /nfs/dbraw/zinc/12/70/32/779127032.db2.gz QWVCDGKMBSXPDF-AWEZNQCLSA-N 0 3 291.345 2.507 20 30 CFEDHN CN(Cc1cn2cc(C#N)ccc2n1)C[C@@H]1CC1(C)C ZINC001237605894 779140688 /nfs/dbraw/zinc/14/06/88/779140688.db2.gz FRZISOJGMNKJDY-ZDUSSCGKSA-N 0 3 268.364 2.684 20 30 CFEDHN N#Cc1ccc2nc(CN(CC3CC3)C3CC3)cn2c1 ZINC001237619016 779146316 /nfs/dbraw/zinc/14/63/16/779146316.db2.gz WHIIMYHYEUEUNW-UHFFFAOYSA-N 0 3 266.348 2.580 20 30 CFEDHN COC(=O)CCN(Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC001237756228 779175182 /nfs/dbraw/zinc/17/51/82/779175182.db2.gz XWKQPJGEBJDNNW-UHFFFAOYSA-N 0 3 292.766 2.739 20 30 CFEDHN CC#CCN1CC[C@@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089317096 779228312 /nfs/dbraw/zinc/22/83/12/779228312.db2.gz HKEWPNKAKCKJTC-OAHLLOKOSA-N 0 3 288.391 2.523 20 30 CFEDHN C#CC1CCN(Cc2cccc(N3CCCCC3)n2)CC1 ZINC001238003381 779228666 /nfs/dbraw/zinc/22/86/66/779228666.db2.gz KICSBNICDWUEPF-UHFFFAOYSA-N 0 3 283.419 2.917 20 30 CFEDHN Cc1cc(F)cc(C[NH+]2CCC(S)CC2)c1[O-] ZINC001238071141 779246815 /nfs/dbraw/zinc/24/68/15/779246815.db2.gz TZJHIQVLAVTMGA-UHFFFAOYSA-N 0 3 255.358 2.734 20 30 CFEDHN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccccc2)C1=O ZINC001272595071 779290160 /nfs/dbraw/zinc/29/01/60/779290160.db2.gz WGQQPZRFNBJFQD-SFHVURJKSA-N 0 3 284.403 2.830 20 30 CFEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@H](OC)C1 ZINC001212210598 779380849 /nfs/dbraw/zinc/38/08/49/779380849.db2.gz CFWKRHTWGUSJDJ-ARFHVFGLSA-N 0 3 296.455 2.594 20 30 CFEDHN CCc1cc(CN2CCC(O)(CC)CC2)ccc1C#N ZINC001238779834 779390335 /nfs/dbraw/zinc/39/03/35/779390335.db2.gz YWBZWQNBSSIOHC-UHFFFAOYSA-N 0 3 272.392 2.858 20 30 CFEDHN N#Cc1ccc(/C=C/c2cnccc2N2CCOCC2)cc1 ZINC001239296521 779505628 /nfs/dbraw/zinc/50/56/28/779505628.db2.gz CSNMKYLPHURQIB-AATRIKPKSA-N 0 3 291.354 2.960 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001089693495 779569545 /nfs/dbraw/zinc/56/95/45/779569545.db2.gz LJQZVROZDPVBIK-OAHLLOKOSA-N 0 3 290.451 2.969 20 30 CFEDHN C#CCN[C@@H](C)c1ccc(CNC(=O)CC(C)C)cc1 ZINC001272682703 779595296 /nfs/dbraw/zinc/59/52/96/779595296.db2.gz MNKPVCLIAJGOCA-AWEZNQCLSA-N 0 3 272.392 2.633 20 30 CFEDHN Cn1ccnc1[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000446850502 779666683 /nfs/dbraw/zinc/66/66/83/779666683.db2.gz ZYEMYTKRFVVVBX-ZDUSSCGKSA-N 0 3 286.404 2.733 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107533982 779855165 /nfs/dbraw/zinc/85/51/65/779855165.db2.gz QGMDBHRZPBSPMI-HYVNUMGLSA-N 0 3 296.430 2.919 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107533981 779855808 /nfs/dbraw/zinc/85/58/08/779855808.db2.gz QGMDBHRZPBSPMI-DJIMGWMZSA-N 0 3 296.430 2.919 20 30 CFEDHN C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CCCC)C1 ZINC001107744391 779892734 /nfs/dbraw/zinc/89/27/34/779892734.db2.gz AZIKTOBEJLVXSM-WBVHZDCISA-N 0 3 296.455 2.738 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC12CC2 ZINC001032474495 779967717 /nfs/dbraw/zinc/96/77/17/779967717.db2.gz ZXMKSYWIIAXBRW-HRCADAONSA-N 0 3 288.435 2.818 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC12CC2 ZINC001032474496 779967959 /nfs/dbraw/zinc/96/79/59/779967959.db2.gz ZXMKSYWIIAXBRW-JYJNAYRXSA-N 0 3 288.435 2.818 20 30 CFEDHN C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)C)cc1 ZINC001032555318 780028385 /nfs/dbraw/zinc/02/83/85/780028385.db2.gz IQSHWHWRVFMDHC-ROUUACIJSA-N 0 3 296.414 2.613 20 30 CFEDHN COc1ccc([C@@H]2C[C@H](NCC3(C#N)CC3)CCO2)cc1 ZINC001168598136 780028602 /nfs/dbraw/zinc/02/86/02/780028602.db2.gz CWJOTXXNEJKYBH-ZBFHGGJFSA-N 0 3 286.375 2.809 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC1(F)F ZINC001032586922 780053471 /nfs/dbraw/zinc/05/34/71/780053471.db2.gz HGMKTTFAQWVRAC-IHRRRGAJSA-N 0 3 298.377 2.673 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C=C)cc1 ZINC001032643578 780110591 /nfs/dbraw/zinc/11/05/91/780110591.db2.gz GPTKQYVTPCVPMD-IRXDYDNUSA-N 0 3 282.387 2.804 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032736720 780160048 /nfs/dbraw/zinc/16/00/48/780160048.db2.gz ZUVPPFORNRMWEE-XIRDDKMYSA-N 0 3 284.403 2.651 20 30 CFEDHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001032749052 780175695 /nfs/dbraw/zinc/17/56/95/780175695.db2.gz OWZZFFCFMNCFBH-IRXDYDNUSA-N 0 3 284.403 2.860 20 30 CFEDHN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)cc1 ZINC001032762746 780195243 /nfs/dbraw/zinc/19/52/43/780195243.db2.gz YMHRTQIQQCNRGH-IRXDYDNUSA-N 0 3 284.403 2.724 20 30 CFEDHN C=CCN1CC[C@@]2(CCCN2Cc2cccc(C)c2)C1=O ZINC001272906730 780205374 /nfs/dbraw/zinc/20/53/74/780205374.db2.gz FECBLIGAYJHBLY-SFHVURJKSA-N 0 3 284.403 2.748 20 30 CFEDHN C#CCCN1CCc2c(CNC(=O)CCC=C)cccc2C1 ZINC001272908724 780207661 /nfs/dbraw/zinc/20/76/61/780207661.db2.gz BLFSOGJGUVADLY-UHFFFAOYSA-N 0 3 296.414 2.650 20 30 CFEDHN C#CCCN1CCc2c(CNC(=O)[C@H](C)CC)cccc2C1 ZINC001272909575 780207741 /nfs/dbraw/zinc/20/77/41/780207741.db2.gz PFMGYCUELOYBCP-OAHLLOKOSA-N 0 3 298.430 2.730 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2CCC2)C12CCC2 ZINC001078523887 780271698 /nfs/dbraw/zinc/27/16/98/780271698.db2.gz OBPQKECCMZFBKD-OLZOCXBDSA-N 0 3 282.815 2.556 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C(C)(C)C)C12CCC2 ZINC001078788349 780308897 /nfs/dbraw/zinc/30/88/97/780308897.db2.gz GDKQEVROVHSXRS-NEPJUHHUSA-N 0 3 284.831 2.802 20 30 CFEDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCOCCC#N ZINC000451402601 780367244 /nfs/dbraw/zinc/36/72/44/780367244.db2.gz BSMDTXPWPLUCKS-MNOVXSKESA-N 0 3 264.291 2.579 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1cc(F)ccc1C ZINC001128242487 780369260 /nfs/dbraw/zinc/36/92/60/780369260.db2.gz QQAVFGTYRWOZNG-UHFFFAOYSA-N 0 3 292.398 2.942 20 30 CFEDHN C=CC(C)(C)CC(=O)NCCNCc1ccc(F)cc1 ZINC001128241815 780369728 /nfs/dbraw/zinc/36/97/28/780369728.db2.gz FNACWMFMNBYLLK-UHFFFAOYSA-N 0 3 278.371 2.634 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001272967784 780395175 /nfs/dbraw/zinc/39/51/75/780395175.db2.gz URNFJKVWJKQXTI-GFCCVEGCSA-N 0 3 284.831 2.804 20 30 CFEDHN C=CCN1CC[C@]2(CCCN2Cc2ccc(C)cc2)C1=O ZINC001272972808 780410929 /nfs/dbraw/zinc/41/09/29/780410929.db2.gz XWXABMWPFJRMGP-GOSISDBHSA-N 0 3 284.403 2.748 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032870430 780491258 /nfs/dbraw/zinc/49/12/58/780491258.db2.gz QTFZXYSFJZQFCK-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032878030 780496096 /nfs/dbraw/zinc/49/60/96/780496096.db2.gz VQNIDDHCOYSJRO-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032990683 780525077 /nfs/dbraw/zinc/52/50/77/780525077.db2.gz XBZLLQKTHUFHJN-INIZCTEOSA-N 0 3 276.424 2.986 20 30 CFEDHN C#CC[C@H](NCc1ccnc(N)c1)c1ccccc1 ZINC001168724450 780530148 /nfs/dbraw/zinc/53/01/48/780530148.db2.gz WPOVKNXYXZDHAB-HNNXBMFYSA-N 0 3 251.333 2.518 20 30 CFEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)[C@H](C)C(C)(F)F ZINC001273019515 780533679 /nfs/dbraw/zinc/53/36/79/780533679.db2.gz WXGYUHGGERFNQX-ZJUUUORDSA-N 0 3 282.762 2.515 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccsc2C)C1 ZINC001033061328 780548713 /nfs/dbraw/zinc/54/87/13/780548713.db2.gz JXHULSBYTYMFKK-ZDUSSCGKSA-N 0 3 278.421 2.779 20 30 CFEDHN N#Cc1ccc(CNc2ccnc3ccccc32)nc1 ZINC000780613408 780596531 /nfs/dbraw/zinc/59/65/31/780596531.db2.gz ZRKOLZLBMKSLRL-UHFFFAOYSA-N 0 3 260.300 2.535 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H](C)C2CCC2)C1 ZINC001033183612 780607801 /nfs/dbraw/zinc/60/78/01/780607801.db2.gz AAQOQALBQDSHSA-HIFRSBDPSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)CC2CC(F)(F)C2)C1 ZINC001033201641 780617632 /nfs/dbraw/zinc/61/76/32/780617632.db2.gz GTRBFTGIZICSFN-ZDUSSCGKSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCN1CC[C@H](N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001033246456 780631300 /nfs/dbraw/zinc/63/13/00/780631300.db2.gz LURUYROOFQKPDS-AWEZNQCLSA-N 0 3 297.402 2.809 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292665 780641670 /nfs/dbraw/zinc/64/16/70/780641670.db2.gz TZIJQNYMGGLAAZ-NXOAAHMSSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033289388 780642776 /nfs/dbraw/zinc/64/27/76/780642776.db2.gz IWSJSVKWIHTLGI-LUKYLMHMSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033289389 780642858 /nfs/dbraw/zinc/64/28/58/780642858.db2.gz IWSJSVKWIHTLGI-VVLHAWIVSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001033303216 780645036 /nfs/dbraw/zinc/64/50/36/780645036.db2.gz LESFYQHVKKADOW-HNNXBMFYSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329518 780653761 /nfs/dbraw/zinc/65/37/61/780653761.db2.gz QOQDQTKDNJWONY-JKSUJKDBSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033410167 780675155 /nfs/dbraw/zinc/67/51/55/780675155.db2.gz OJDWAKILBZUTPI-UKRRQHHQSA-N 0 3 292.448 2.960 20 30 CFEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033465797 780689980 /nfs/dbraw/zinc/68/99/80/780689980.db2.gz LQQAGZXXZRLUCD-SJLPKXTDSA-N 0 3 298.430 2.655 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033476845 780691900 /nfs/dbraw/zinc/69/19/00/780691900.db2.gz CLFYYIXKFQVHFU-HNNXBMFYSA-N 0 3 292.448 2.708 20 30 CFEDHN C=CCCN1CC[C@H](N(C)C(=O)c2cc(C(C)C)no2)C1 ZINC001033475583 780693766 /nfs/dbraw/zinc/69/37/66/780693766.db2.gz SQWYACHVCFLDJC-ZDUSSCGKSA-N 0 3 291.395 2.520 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033474915 780694223 /nfs/dbraw/zinc/69/42/23/780694223.db2.gz KVXFHQGGBISRSI-NSHDSACASA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)CCCNC(=O)CCCC1CCCCC1 ZINC000700580436 780700565 /nfs/dbraw/zinc/70/05/65/780700565.db2.gz UAGBIFUJCJDODB-UHFFFAOYSA-N 0 3 278.440 2.808 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033562213 780715066 /nfs/dbraw/zinc/71/50/66/780715066.db2.gz NQOKLTZTMQCUED-GJZGRUSLSA-N 0 3 276.424 2.676 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001033627272 780734386 /nfs/dbraw/zinc/73/43/86/780734386.db2.gz ZZEKPGYGSSVIOM-INIZCTEOSA-N 0 3 299.418 2.681 20 30 CFEDHN C#CCCN1CC[C@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033674559 780747660 /nfs/dbraw/zinc/74/76/60/780747660.db2.gz AGFZSATUFKSJRP-PQUAAJSLSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033790431 780790138 /nfs/dbraw/zinc/79/01/38/780790138.db2.gz VZFDTLOKSICWGF-CQSZACIVSA-N 0 3 290.432 2.616 20 30 CFEDHN N#CC[C@H]1CCCN(CCOC2CCCCC2)C1 ZINC000701400678 780805105 /nfs/dbraw/zinc/80/51/05/780805105.db2.gz MLRSUGMTFCERDO-CQSZACIVSA-N 0 3 250.386 2.961 20 30 CFEDHN C#CCCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033926468 780824041 /nfs/dbraw/zinc/82/40/41/780824041.db2.gz CUUUTYIXOMCEFA-CVEARBPZSA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033951668 780836161 /nfs/dbraw/zinc/83/61/61/780836161.db2.gz KUBGPIFJGNHJQW-HOTGVXAUSA-N 0 3 290.451 2.759 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033959515 780838520 /nfs/dbraw/zinc/83/85/20/780838520.db2.gz DQWJIOXLNRXQMY-RBSFLKMASA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033967312 780842173 /nfs/dbraw/zinc/84/21/73/780842173.db2.gz FOWBHQDKAWSEDE-HNNXBMFYSA-N 0 3 289.423 2.744 20 30 CFEDHN C#CCCN1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041113 780864203 /nfs/dbraw/zinc/86/42/03/780864203.db2.gz CCWBLHXJCPGDDS-KRWDZBQOSA-N 0 3 288.435 2.679 20 30 CFEDHN C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110681 780895370 /nfs/dbraw/zinc/89/53/70/780895370.db2.gz QCEAFFKURVWDMK-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001034110681 780895380 /nfs/dbraw/zinc/89/53/80/780895380.db2.gz QCEAFFKURVWDMK-AWEZNQCLSA-N 0 3 288.391 2.553 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001034152001 780907340 /nfs/dbraw/zinc/90/73/40/780907340.db2.gz PQGSZXCPIKZJLC-YMAMQOFZSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034155810 780910779 /nfs/dbraw/zinc/91/07/79/780910779.db2.gz OMQQQGJKEMSLEP-UKRRQHHQSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034155808 780910786 /nfs/dbraw/zinc/91/07/86/780910786.db2.gz OMQQQGJKEMSLEP-DZGCQCFKSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034271875 780936802 /nfs/dbraw/zinc/93/68/02/780936802.db2.gz QRXOIKOIRRWMSI-ISXOHVOVSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034320974 780946351 /nfs/dbraw/zinc/94/63/51/780946351.db2.gz QPKBFVWDCWMIKY-BFYDXBDKSA-N 0 3 276.424 2.723 20 30 CFEDHN N#Cc1cnnc(C2=CCN(Cc3ccccc3)CC2)c1 ZINC001241502765 780946394 /nfs/dbraw/zinc/94/63/94/780946394.db2.gz ANRSVMVKDRVQTG-UHFFFAOYSA-N 0 3 276.343 2.638 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001034331422 780947251 /nfs/dbraw/zinc/94/72/51/780947251.db2.gz XUYXGLYRUJQGBG-HNNXBMFYSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034323672 780947425 /nfs/dbraw/zinc/94/74/25/780947425.db2.gz PQLKZTCRHDHTOV-IVSAIRAKSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034358738 780952028 /nfs/dbraw/zinc/95/20/28/780952028.db2.gz VHLCTMHJQOJRTQ-HNNXBMFYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001034371680 780957071 /nfs/dbraw/zinc/95/70/71/780957071.db2.gz HSZYZEWMVXUUEI-INIZCTEOSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034385985 780962755 /nfs/dbraw/zinc/96/27/55/780962755.db2.gz ORJSGCUTHGDDSV-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034434903 780975122 /nfs/dbraw/zinc/97/51/22/780975122.db2.gz FDPQHVNQSCZWKD-OWCLPIDISA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034465165 780978057 /nfs/dbraw/zinc/97/80/57/780978057.db2.gz LZXZPODACQBJDY-AWEZNQCLSA-N 0 3 287.407 2.662 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034472954 780982012 /nfs/dbraw/zinc/98/20/12/780982012.db2.gz ARRIDQWFWDSDRK-LSDHHAIUSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001034496841 780983832 /nfs/dbraw/zinc/98/38/32/780983832.db2.gz XPWQQLQRUROWQQ-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001034533923 780993278 /nfs/dbraw/zinc/99/32/78/780993278.db2.gz APIXHOHXTOWQOF-HNNXBMFYSA-N 0 3 289.423 2.839 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001045538762 781030291 /nfs/dbraw/zinc/03/02/91/781030291.db2.gz JOLOFMDSHFVFTR-JKSUJKDBSA-N 0 3 290.451 2.807 20 30 CFEDHN N#Cc1cc(F)cc(-c2cnccc2N2CCOCC2)c1 ZINC001241658505 781051974 /nfs/dbraw/zinc/05/19/74/781051974.db2.gz ONJDECUGSUWJEY-UHFFFAOYSA-N 0 3 283.306 2.596 20 30 CFEDHN CC(C)CC1(C(=O)NCCNCc2cccc(C#N)c2)CC1 ZINC001129058465 781108266 /nfs/dbraw/zinc/10/82/66/781108266.db2.gz ZICLQSAJRYFWPF-UHFFFAOYSA-N 0 3 299.418 2.590 20 30 CFEDHN CC(C)CC1(C(=O)NCCNCc2ccc(C#N)cc2)CC1 ZINC001129061415 781109370 /nfs/dbraw/zinc/10/93/70/781109370.db2.gz OJNWGAPRAKLGCC-UHFFFAOYSA-N 0 3 299.418 2.590 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](CC)SC)CC2 ZINC001035687143 781157868 /nfs/dbraw/zinc/15/78/68/781157868.db2.gz ABDMUQJIGWYVLI-AWEZNQCLSA-N 0 3 296.480 2.629 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(C)=C1CCC1)CC2 ZINC001035702539 781160194 /nfs/dbraw/zinc/16/01/94/781160194.db2.gz VYTBZDPYLDVEGU-UHFFFAOYSA-N 0 3 288.435 2.987 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035750390 781167832 /nfs/dbraw/zinc/16/78/32/781167832.db2.gz FSVYIOKVLCSQHG-UHFFFAOYSA-N 0 3 276.424 2.677 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001035783773 781168507 /nfs/dbraw/zinc/16/85/07/781168507.db2.gz MZYDKZXUCZQVEF-UHFFFAOYSA-N 0 3 276.424 2.677 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccnc(C)c1)CC2 ZINC001035821340 781171749 /nfs/dbraw/zinc/17/17/49/781171749.db2.gz VZCYNHZFGSDOGT-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)CC)CC2 ZINC001035826493 781172889 /nfs/dbraw/zinc/17/28/89/781172889.db2.gz GWWSJJYWDWKCOT-DOTOQJQBSA-N 0 3 290.451 2.923 20 30 CFEDHN N#Cc1cc(-c2ccc3c(c2)C[NH2+]CC3)ccc1[O-] ZINC001242563655 781602602 /nfs/dbraw/zinc/60/26/02/781602602.db2.gz HTBDMRCKOYROSH-UHFFFAOYSA-N 0 3 250.301 2.577 20 30 CFEDHN N#Cc1cc(-c2ccc(C3([NH3+])CC3)cc2)ccc1[O-] ZINC001242564845 781603897 /nfs/dbraw/zinc/60/38/97/781603897.db2.gz XHVOBQXDMVMWID-UHFFFAOYSA-N 0 3 250.301 2.879 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@@H](C)Cc2ccccc2)CCC1 ZINC001273201631 781659664 /nfs/dbraw/zinc/65/96/64/781659664.db2.gz MJBZBASGRZSBMO-INIZCTEOSA-N 0 3 298.430 2.517 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001080503132 781665727 /nfs/dbraw/zinc/66/57/27/781665727.db2.gz GKKFDRDLAPUGNY-FXUDXRNXSA-N 0 3 290.451 2.825 20 30 CFEDHN C=CCOCCN1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098867751 781672715 /nfs/dbraw/zinc/67/27/15/781672715.db2.gz JABOYHUWAVOMPP-HNNXBMFYSA-N 0 3 296.455 2.596 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001080803317 781678347 /nfs/dbraw/zinc/67/83/47/781678347.db2.gz WLYWCOKWDIASEA-BFYDXBDKSA-N 0 3 286.419 2.721 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001081014225 781690390 /nfs/dbraw/zinc/69/03/90/781690390.db2.gz ZBURQPSQEIKFBV-BZUAXINKSA-N 0 3 290.451 2.663 20 30 CFEDHN [O-]/N=C/c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1F ZINC001242675697 781691654 /nfs/dbraw/zinc/69/16/54/781691654.db2.gz ITUAYSVIERDRSM-GIJQJNRQSA-N 0 3 256.280 2.904 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001084262150 781784086 /nfs/dbraw/zinc/78/40/86/781784086.db2.gz MBZVOZSULBRHAI-HUUCEWRRSA-N 0 3 288.391 2.619 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001084767882 781832343 /nfs/dbraw/zinc/83/23/43/781832343.db2.gz MVMRQNGFJPCAPQ-DJIMGWMZSA-N 0 3 290.451 2.922 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CCN(C(=O)[C@@H](CC)SC)C[C@@H]21 ZINC001084923085 781864055 /nfs/dbraw/zinc/86/40/55/781864055.db2.gz XWLJTSZWMDPTGV-QLFBSQMISA-N 0 3 296.480 2.627 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@](C)(C=C)CC)C[C@@H]21 ZINC001085024044 781882741 /nfs/dbraw/zinc/88/27/41/781882741.db2.gz QCHCHWGLHCPMGP-VYDXJSESSA-N 0 3 276.424 2.698 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@@H]21 ZINC001085053621 781888558 /nfs/dbraw/zinc/88/85/58/781888558.db2.gz HDKBFFVNMGFRMS-TWMKSMIVSA-N 0 3 288.435 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C[C@@H]21 ZINC001085067629 781895357 /nfs/dbraw/zinc/89/53/57/781895357.db2.gz HDWVLAFBGJMCQN-PMPSAXMXSA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C[C@@H]21 ZINC001085077165 781899904 /nfs/dbraw/zinc/89/99/04/781899904.db2.gz LCHQEQBYGILGHV-JQHSSLGASA-N 0 3 298.430 2.899 20 30 CFEDHN COC[C@@H](CC(C)(C)C)NCc1ccc(C#N)o1 ZINC000594512227 349436596 /nfs/dbraw/zinc/43/65/96/349436596.db2.gz CHBOUIWFSFORMC-LLVKDONJSA-N 0 3 250.342 2.692 20 30 CFEDHN CCC(C)(C)N1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000594591062 349453741 /nfs/dbraw/zinc/45/37/41/349453741.db2.gz KAUQOTVMKXARKH-UHFFFAOYSA-N 0 3 272.396 2.572 20 30 CFEDHN N#Cc1c2c(cnc1N[C@@H]1CCCN3CCCC[C@H]13)CCC2 ZINC000594598783 349456924 /nfs/dbraw/zinc/45/69/24/349456924.db2.gz HUVVQHCHLBQNTG-IAGOWNOFSA-N 0 3 296.418 2.871 20 30 CFEDHN C=CC[C@H](CC)NCc1cc(C(=O)OC)oc1C ZINC000594607302 349460428 /nfs/dbraw/zinc/46/04/28/349460428.db2.gz RTERHGFVRGEQKU-LBPRGKRZSA-N 0 3 251.326 2.819 20 30 CFEDHN Cc1cc(C#N)cc(NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000594607062 349460601 /nfs/dbraw/zinc/46/06/01/349460601.db2.gz REQZZAIBTBOKAI-GOSISDBHSA-N 0 3 299.418 2.922 20 30 CFEDHN COC(=O)C1(CNCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594612349 349463234 /nfs/dbraw/zinc/46/32/34/349463234.db2.gz MEANCEUQACMKQN-UHFFFAOYSA-N 0 3 286.375 2.531 20 30 CFEDHN C[C@@H](O)CN(Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000594615099 349464641 /nfs/dbraw/zinc/46/46/41/349464641.db2.gz LZLPECVCNYEHHF-CQSZACIVSA-N 0 3 288.391 2.714 20 30 CFEDHN C[C@H](O)CN(Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000594615347 349464910 /nfs/dbraw/zinc/46/49/10/349464910.db2.gz NFNPKVDSUWFWEG-JTQLQIEISA-N 0 3 298.308 2.922 20 30 CFEDHN N#Cc1ccsc1NC(=O)CCN1C[C@@H]2CCCC[C@@H]21 ZINC000594713811 349479452 /nfs/dbraw/zinc/47/94/52/349479452.db2.gz IDKNFHASUGJIJH-STQMWFEESA-N 0 3 289.404 2.823 20 30 CFEDHN C[C@@H](NCCO[C@@H]1CC1(F)F)c1ccc(C#N)cc1 ZINC000594719868 349480463 /nfs/dbraw/zinc/48/04/63/349480463.db2.gz FYDIBACBIZIIJY-ZWNOBZJWSA-N 0 3 266.291 2.633 20 30 CFEDHN C[C@@H](NCCO[C@H]1CC1(F)F)c1cccc(C#N)c1 ZINC000594721052 349480556 /nfs/dbraw/zinc/48/05/56/349480556.db2.gz LHCXCPXYGNGTBX-MFKMUULPSA-N 0 3 266.291 2.633 20 30 CFEDHN CO[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594943466 349521889 /nfs/dbraw/zinc/52/18/89/349521889.db2.gz JCYQIMRPLVTDRM-INIZCTEOSA-N 0 3 270.376 2.756 20 30 CFEDHN Cn1ncc(C(F)(F)F)c1CNCC(C)(C)CCC#N ZINC000594953300 349526404 /nfs/dbraw/zinc/52/64/04/349526404.db2.gz GSDAEZXNBSPNDP-UHFFFAOYSA-N 0 3 288.317 2.858 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000594950469 349525496 /nfs/dbraw/zinc/52/54/96/349525496.db2.gz MCFIVEPAXLJULR-VYDXJSESSA-N 0 3 286.375 2.636 20 30 CFEDHN COc1cccc(CNCCc2ccc(C#N)cc2)c1OC ZINC000594954380 349527492 /nfs/dbraw/zinc/52/74/92/349527492.db2.gz FXUIZJQCHPWDFD-UHFFFAOYSA-N 0 3 296.370 2.908 20 30 CFEDHN Cn1ncc(C2CCC2)c1CNCCc1ccc(C#N)cc1 ZINC000594955040 349527507 /nfs/dbraw/zinc/52/75/07/349527507.db2.gz LMLJMVMXOPXOCC-UHFFFAOYSA-N 0 3 294.402 2.892 20 30 CFEDHN Cn1ncc(C2CC2)c1CNCCc1ccc(C#N)cc1 ZINC000594954956 349527536 /nfs/dbraw/zinc/52/75/36/349527536.db2.gz INNVDOSDOWUWLD-UHFFFAOYSA-N 0 3 280.375 2.501 20 30 CFEDHN C=CCCSCCNCc1cn(C)nc1C(F)F ZINC000594960178 349530040 /nfs/dbraw/zinc/53/00/40/349530040.db2.gz MHRJISSBTVRJQZ-UHFFFAOYSA-N 0 3 275.368 2.757 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)NCc1ccc(C#N)s1 ZINC000594978969 349538079 /nfs/dbraw/zinc/53/80/79/349538079.db2.gz DTZVAICEPMEEST-ZDUSSCGKSA-N 0 3 277.437 2.830 20 30 CFEDHN Cn1cc(C[C@@H]2CCC[C@@H]2NCc2ccccc2C#N)cn1 ZINC000594979393 349538236 /nfs/dbraw/zinc/53/82/36/349538236.db2.gz KEIXJBZWIRPAIC-YJBOKZPZSA-N 0 3 294.402 2.793 20 30 CFEDHN COc1cc(CNC[C@H]2CCC[C@H](C)O2)ccc1C#N ZINC000594988107 349540037 /nfs/dbraw/zinc/54/00/37/349540037.db2.gz YWICWJJLGDOMIM-SWLSCSKDSA-N 0 3 274.364 2.614 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)cc1F)C1CCCC1 ZINC000594995879 349542323 /nfs/dbraw/zinc/54/23/23/349542323.db2.gz VKXBTHHESJYVBE-INIZCTEOSA-N 0 3 276.355 2.992 20 30 CFEDHN CO[C@@H](CNCc1ccc(C#N)o1)C1CCCCC1 ZINC000594997685 349543087 /nfs/dbraw/zinc/54/30/87/349543087.db2.gz PVLVQDFUQXJEHM-HNNXBMFYSA-N 0 3 262.353 2.836 20 30 CFEDHN C[C@H](N[C@@H](CO)C1CCC1)c1ccc(C#N)c(F)c1 ZINC000595056561 349568696 /nfs/dbraw/zinc/56/86/96/349568696.db2.gz MFTJRYAPHBGJNE-BONVTDFDSA-N 0 3 262.328 2.509 20 30 CFEDHN CC[C@@H](NCCc1ccc(C#N)cc1)c1nccn1C ZINC000595057908 349569326 /nfs/dbraw/zinc/56/93/26/349569326.db2.gz YLKIJKPJUWMTFJ-OAHLLOKOSA-N 0 3 268.364 2.575 20 30 CFEDHN C=CCCSCCN[C@H](C)c1cnn(CC)c1 ZINC000595057773 349569716 /nfs/dbraw/zinc/56/97/16/349569716.db2.gz DVNXJBXJCHPWGD-GFCCVEGCSA-N 0 3 253.415 2.863 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCCO[C@@H]1CC1(F)F)CC2 ZINC000595066875 349572041 /nfs/dbraw/zinc/57/20/41/349572041.db2.gz CMSQWFHMEMVSFR-ZIAGYGMSSA-N 0 3 278.302 2.559 20 30 CFEDHN C=CCOCCCN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000595079358 349576375 /nfs/dbraw/zinc/57/63/75/349576375.db2.gz WQTJSICRJAWUBZ-NSHDSACASA-N 0 3 283.393 2.778 20 30 CFEDHN C[C@H](NCC1(C#N)CCCCC1)C1CCOCC1 ZINC000595091072 349578540 /nfs/dbraw/zinc/57/85/40/349578540.db2.gz MYQDRXSSKLDPGQ-ZDUSSCGKSA-N 0 3 250.386 2.865 20 30 CFEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1C[C@@H](O)C12CCC2 ZINC000595091928 349579106 /nfs/dbraw/zinc/57/91/06/349579106.db2.gz UURJCNOMEOSBHD-GVDBMIGSSA-N 0 3 282.387 2.829 20 30 CFEDHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000595110000 349582936 /nfs/dbraw/zinc/58/29/36/349582936.db2.gz YOMSXZJSMOAJEZ-OAGGEKHMSA-N 0 3 256.349 2.703 20 30 CFEDHN C[C@H]1N(C(=O)[C@@H](N)CCCC#N)c2ccccc2C1(C)C ZINC000595256918 349588389 /nfs/dbraw/zinc/58/83/89/349588389.db2.gz FKQGKOCTYMOORD-OCCSQVGLSA-N 0 3 285.391 2.720 20 30 CFEDHN Cc1cccc2c1CCC[C@@H]2NC(=O)[C@H](N)CCCC#N ZINC000595258349 349589205 /nfs/dbraw/zinc/58/92/05/349589205.db2.gz CAYKNCZZVZSTLB-CVEARBPZSA-N 0 3 285.391 2.510 20 30 CFEDHN C[C@H]1SCCN(CCc2ccc(C#N)cc2)[C@@H]1C ZINC000595323487 349602278 /nfs/dbraw/zinc/60/22/78/349602278.db2.gz YWRBDYOEWCNECV-CHWSQXEVSA-N 0 3 260.406 2.927 20 30 CFEDHN C[C@@H]1C[C@H](C)CN(CCN(CCC#N)Cc2ccco2)C1 ZINC000595334516 349604060 /nfs/dbraw/zinc/60/40/60/349604060.db2.gz RNCXVJROHGFOQM-IYBDPMFKSA-N 0 3 289.423 2.973 20 30 CFEDHN N#Cc1c(F)cccc1N1CCN(CC2CC=CC2)CC1 ZINC000595289640 349590991 /nfs/dbraw/zinc/59/09/91/349590991.db2.gz PMNGJCBWXJNQJK-UHFFFAOYSA-N 0 3 285.366 2.786 20 30 CFEDHN N#Cc1ccc(CCN2CCOc3ccccc3C2)cc1 ZINC000595293588 349593974 /nfs/dbraw/zinc/59/39/74/349593974.db2.gz PBKOYRDIHFIUIW-UHFFFAOYSA-N 0 3 278.355 2.995 20 30 CFEDHN N#Cc1ccccc1N1CCN(CCC2CCC2)CC1 ZINC000595301775 349596946 /nfs/dbraw/zinc/59/69/46/349596946.db2.gz PBAOCJHGONSZNU-UHFFFAOYSA-N 0 3 269.392 2.870 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CCN(CC2CC=CC2)CC1 ZINC000595377629 349612034 /nfs/dbraw/zinc/61/20/34/349612034.db2.gz PRTNSOKOHBYLPW-GOSISDBHSA-N 0 3 281.403 2.835 20 30 CFEDHN N#Cc1nccnc1N[C@H]1CCCN(C2CCCCC2)C1 ZINC000068768393 346868649 /nfs/dbraw/zinc/86/86/49/346868649.db2.gz BEMWGXCDFVGBTQ-ZDUSSCGKSA-N 0 3 285.395 2.557 20 30 CFEDHN CCN1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC000068796420 346870513 /nfs/dbraw/zinc/87/05/13/346870513.db2.gz AZBIDSHUIPLKFT-ZDUSSCGKSA-N 0 3 280.375 2.637 20 30 CFEDHN CO[C@H](CN1CCC(C#N)(c2ccccn2)CC1)C1CCC1 ZINC000595473489 349637698 /nfs/dbraw/zinc/63/76/98/349637698.db2.gz WKVZLKUSJDROFA-MRXNPFEDSA-N 0 3 299.418 2.754 20 30 CFEDHN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(C)C#N ZINC000347082956 529425521 /nfs/dbraw/zinc/42/55/21/529425521.db2.gz KWCOZXADQHIXMM-GXFFZTMASA-N 0 3 264.756 2.937 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccccc2)C1 ZINC000595610989 349674868 /nfs/dbraw/zinc/67/48/68/349674868.db2.gz FRMIVTQIUWBYDA-CQSZACIVSA-N 0 3 271.364 2.641 20 30 CFEDHN N#CC[C@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000595611112 349675319 /nfs/dbraw/zinc/67/53/19/349675319.db2.gz HCAFONDKQBDMMD-OAHLLOKOSA-N 0 3 269.348 2.563 20 30 CFEDHN Cc1cccc(OCCN2CCC[C@@H](CC#N)C2)c1 ZINC000595612673 349675665 /nfs/dbraw/zinc/67/56/65/349675665.db2.gz ZTYFJCSNPPUTNT-HNNXBMFYSA-N 0 3 258.365 3.000 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2cccc(F)c2)C1 ZINC000595611729 349675685 /nfs/dbraw/zinc/67/56/85/349675685.db2.gz NNJSZJOSWQTLEF-CYBMUJFWSA-N 0 3 289.354 2.780 20 30 CFEDHN N#CC[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595613457 349675799 /nfs/dbraw/zinc/67/57/99/349675799.db2.gz DLNLQLGAAZCRFJ-OAHLLOKOSA-N 0 3 296.374 2.513 20 30 CFEDHN C=CCN(Cc1ccc(C#N)cc1C)[C@@H](C)COC ZINC000595639687 349685436 /nfs/dbraw/zinc/68/54/36/349685436.db2.gz WJAVOUIAOHCJTE-AWEZNQCLSA-N 0 3 258.365 2.890 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@@H](O)CCc2ccccc2)C1 ZINC000595621099 349679899 /nfs/dbraw/zinc/67/98/99/349679899.db2.gz TUVJJYBVAFNRGB-IRXDYDNUSA-N 0 3 272.392 2.606 20 30 CFEDHN C[C@]1(C2CC2)CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000595624996 349681930 /nfs/dbraw/zinc/68/19/30/349681930.db2.gz INGHORBSRJRYLA-MRXNPFEDSA-N 0 3 292.423 2.588 20 30 CFEDHN COCc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000595623918 349681967 /nfs/dbraw/zinc/68/19/67/349681967.db2.gz YLXANNWFZQHTKH-AWEZNQCLSA-N 0 3 258.365 2.959 20 30 CFEDHN C=CCN(CC(=O)NCCC)CC1CCCCC1 ZINC000069859725 346902486 /nfs/dbraw/zinc/90/24/86/346902486.db2.gz FWKPAUMYZHVYQI-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C[C@H]1COC2(CCC2)CN1CCCC(C)(C)C#N ZINC000595681026 349699601 /nfs/dbraw/zinc/69/96/01/349699601.db2.gz JLNHTCHHWKNAER-ZDUSSCGKSA-N 0 3 250.386 2.960 20 30 CFEDHN Cc1cc(CN2C[C@]3(C)COC[C@]3(C)C2)ccc1C#N ZINC000595690941 349702370 /nfs/dbraw/zinc/70/23/70/349702370.db2.gz WOCSRTJZJKKSNE-CALCHBBNSA-N 0 3 270.376 2.725 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@H](C)[C@H]1CCO ZINC000595692992 349704120 /nfs/dbraw/zinc/70/41/20/349704120.db2.gz CONFYVDAZPMTHO-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN CC[C@H](NC(=O)C(C)C#N)c1cc(F)ccc1F ZINC000354666064 529546167 /nfs/dbraw/zinc/54/61/67/529546167.db2.gz ZOOBIQPHVBVINK-PELKAZGASA-N 0 3 252.264 2.692 20 30 CFEDHN COc1ccc(CN2CCC[C@@H](C)[C@H]2CCO)cc1C#N ZINC000595698648 349707858 /nfs/dbraw/zinc/70/78/58/349707858.db2.gz NLGQNFVOCPVGHS-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747869 349721399 /nfs/dbraw/zinc/72/13/99/349721399.db2.gz NPZHYRSSQQJWBT-HYVNUMGLSA-N 0 3 272.392 2.777 20 30 CFEDHN C[C@H]1CCCN(Cc2cc(C#N)ccc2F)[C@@H]1CCO ZINC000595703516 349710489 /nfs/dbraw/zinc/71/04/89/349710489.db2.gz TTWJQASOSIRQBS-BLLLJJGKSA-N 0 3 276.355 2.680 20 30 CFEDHN C[C@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1CCO ZINC000595706889 349712253 /nfs/dbraw/zinc/71/22/53/349712253.db2.gz YFIZUWZHMIHERL-BBRMVZONSA-N 0 3 258.365 2.541 20 30 CFEDHN CC[C@@H](NCCCCC#N)c1nnc2n1CCCCC2 ZINC000595805351 349736058 /nfs/dbraw/zinc/73/60/58/349736058.db2.gz PGCKUUAYGNQLLI-CYBMUJFWSA-N 0 3 275.400 2.739 20 30 CFEDHN CCC(CC)CCCN(C)CC(=O)NC1(C#N)CCC1 ZINC000595833912 349746896 /nfs/dbraw/zinc/74/68/96/349746896.db2.gz SUVHLPLJNFISKB-UHFFFAOYSA-N 0 3 279.428 2.697 20 30 CFEDHN COc1ccc2c(c1)CCN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000595758715 349725668 /nfs/dbraw/zinc/72/56/68/349725668.db2.gz DYCOAYPWGQBDPB-IUODEOHRSA-N 0 3 256.349 2.746 20 30 CFEDHN C=CCN(Cc1ccc(C(=O)OC)o1)C(C)(C)C ZINC000595762598 349726542 /nfs/dbraw/zinc/72/65/42/349726542.db2.gz BOJMWLIBGLWOGY-UHFFFAOYSA-N 0 3 251.326 2.853 20 30 CFEDHN C=C(C)CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000595765681 349727523 /nfs/dbraw/zinc/72/75/23/349727523.db2.gz UDGUSBYXQBYCDZ-UHFFFAOYSA-N 0 3 256.349 2.730 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](CCCC)C(=O)OC ZINC000595844213 349752674 /nfs/dbraw/zinc/75/26/74/349752674.db2.gz CFEAOVKUDOJPIP-HZSPNIEDSA-N 0 3 251.370 2.901 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856427 349756533 /nfs/dbraw/zinc/75/65/33/349756533.db2.gz CDFJGBBHRDRDIY-ZAXPFGBGSA-N 0 3 291.439 2.692 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H]1CC1(C)C ZINC000595911482 349767565 /nfs/dbraw/zinc/76/75/65/349767565.db2.gz XCFVMDUHJOLVHJ-JSGCOSHPSA-N 0 3 285.391 2.863 20 30 CFEDHN CC[C@@H]1CCC[C@H](C)N1CC(=O)NCc1ccc(C#N)cc1 ZINC000595867407 349757830 /nfs/dbraw/zinc/75/78/30/349757830.db2.gz MQSUPNXIDKULMR-WMLDXEAASA-N 0 3 299.418 2.827 20 30 CFEDHN N#Cc1ccc([C@H](C(N)=O)N(CCC2CC2)CC2CC2)cc1 ZINC000595872388 349758531 /nfs/dbraw/zinc/75/85/31/349758531.db2.gz XJJYNKPIXFYOKB-QGZVFWFLSA-N 0 3 297.402 2.597 20 30 CFEDHN N#Cc1ccc(CN(CCC2CC2)CC2CC2)nc1 ZINC000595872500 349759044 /nfs/dbraw/zinc/75/90/44/349759044.db2.gz ZQPKDBJANDAFFI-UHFFFAOYSA-N 0 3 255.365 2.965 20 30 CFEDHN C[C@](Cc1ccccc1)(NC(=O)[C@H](N)CCCC#N)C1CC1 ZINC000595976320 349773720 /nfs/dbraw/zinc/77/37/20/349773720.db2.gz NESXOGXRXKWACO-SJLPKXTDSA-N 0 3 299.418 2.535 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000595959353 349771881 /nfs/dbraw/zinc/77/18/81/349771881.db2.gz ONVCEXDXDFOIQF-DLBZAZTESA-N 0 3 299.418 2.804 20 30 CFEDHN C#CCN(C)CCCN[C@H](c1ccco1)c1ccccc1 ZINC000294976205 199280482 /nfs/dbraw/zinc/28/04/82/199280482.db2.gz KHNPSGICGACLSH-SFHVURJKSA-N 0 3 282.387 2.914 20 30 CFEDHN C#CCN(C)CCCN[C@H](c1ccccc1)c1ccccn1 ZINC000294981033 199283072 /nfs/dbraw/zinc/28/30/72/199283072.db2.gz KQPSEANDPRGAMB-LJQANCHMSA-N 0 3 293.414 2.716 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@H]1CCCN(c2ccccc2)C1 ZINC000573397950 334935279 /nfs/dbraw/zinc/93/52/79/334935279.db2.gz OSFDGOAMFJMFBE-DLBZAZTESA-N 0 3 296.418 2.936 20 30 CFEDHN CCc1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)co1 ZINC000330012072 529704880 /nfs/dbraw/zinc/70/48/80/529704880.db2.gz JYWWJMMJHFMZKV-YOGCLGLASA-N 0 3 277.368 2.557 20 30 CFEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000072697828 346936502 /nfs/dbraw/zinc/93/65/02/346936502.db2.gz VUERWEIETCEUFV-IUODEOHRSA-N 0 3 271.364 2.617 20 30 CFEDHN C#CCN(C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801778 346940261 /nfs/dbraw/zinc/94/02/61/346940261.db2.gz GYZDIPKVEGJAPD-UHFFFAOYSA-N 0 3 262.784 2.874 20 30 CFEDHN CN1CCC[C@@H]2CN(c3nc(C#N)c(Cl)s3)CC[C@@H]21 ZINC000596168520 349815634 /nfs/dbraw/zinc/81/56/34/349815634.db2.gz OBTIJAXUDNDHGP-KOLCDFICSA-N 0 3 296.827 2.589 20 30 CFEDHN Cc1ccc(C#N)c(N2CCN(C)C3(CCCCC3)C2)n1 ZINC000596250580 349840193 /nfs/dbraw/zinc/84/01/93/349840193.db2.gz GGFWCTRAUZUPPS-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CN(CC#Cc1ccc(C(F)(F)F)cc1)CC1(O)CCC1 ZINC000353467640 529823199 /nfs/dbraw/zinc/82/31/99/529823199.db2.gz MNGDBGIRQDYBFU-UHFFFAOYSA-N 0 3 297.320 2.904 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)[C@H]1CCC[C@H]1O ZINC000352668475 529823228 /nfs/dbraw/zinc/82/32/28/529823228.db2.gz SDTJHCUQOLLGBT-LSDHHAIUSA-N 0 3 263.768 2.537 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3cnccc32)CC1 ZINC000073080326 346960427 /nfs/dbraw/zinc/96/04/27/346960427.db2.gz YDEMVGMZBGRPMV-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN CC(C)(CN1CCCC1)Nc1nc(C#N)c(Cl)s1 ZINC000596264877 349847068 /nfs/dbraw/zinc/84/70/68/349847068.db2.gz FTQVINICTXEBGS-UHFFFAOYSA-N 0 3 284.816 2.954 20 30 CFEDHN Cc1ccc(C#N)nc1NC[C@H]1CCN1C(C)(C)C ZINC000596305888 349858486 /nfs/dbraw/zinc/85/84/86/349858486.db2.gz CBMYUEVKRUVBCX-CYBMUJFWSA-N 0 3 258.369 2.546 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000596308178 349858980 /nfs/dbraw/zinc/85/89/80/349858980.db2.gz GNUFJNCVOFIUQH-GFCCVEGCSA-N 0 3 288.351 2.751 20 30 CFEDHN Cc1ccc(C#N)nc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000596297605 349856419 /nfs/dbraw/zinc/85/64/19/349856419.db2.gz RWYWPAMDRVNQOZ-LSDHHAIUSA-N 0 3 270.380 2.691 20 30 CFEDHN CC(C)(C)N1CC[C@@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000596305867 349857706 /nfs/dbraw/zinc/85/77/06/349857706.db2.gz BVETXEFCDFPIJZ-OAHLLOKOSA-N 0 3 294.402 2.813 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N2CC[C@H](N3CCCCC3)C2)c1 ZINC000273174175 192065678 /nfs/dbraw/zinc/06/56/78/192065678.db2.gz FQAULGSPYHGEFK-KRWDZBQOSA-N 0 3 297.402 2.825 20 30 CFEDHN CC(C)(C)N1CC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000596337679 349869159 /nfs/dbraw/zinc/86/91/59/349869159.db2.gz ZVKVSFCANGUIQI-GFCCVEGCSA-N 0 3 288.351 2.751 20 30 CFEDHN CC(=O)c1ccc(C#N)c(N[C@H](C)CCN(C)C)c1 ZINC000273181630 192068109 /nfs/dbraw/zinc/06/81/09/192068109.db2.gz HHLMJBMZXKYZRN-LLVKDONJSA-N 0 3 259.353 2.513 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@H](C)C[C@H]1CC ZINC000075022311 347048162 /nfs/dbraw/zinc/04/81/62/347048162.db2.gz MMXDHBPJEGFMNK-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)o1 ZINC000075441882 347077604 /nfs/dbraw/zinc/07/76/04/347077604.db2.gz STHYXRWDJNUCTD-ZDUSSCGKSA-N 0 3 269.304 2.793 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCN(CCc2ccccc2)C1 ZINC000127329533 187297198 /nfs/dbraw/zinc/29/71/98/187297198.db2.gz OKISJTZCFFLKQT-OAHLLOKOSA-N 0 3 264.800 2.646 20 30 CFEDHN C=CCN1CCC(NC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000668368718 539430277 /nfs/dbraw/zinc/43/02/77/539430277.db2.gz DYWCMIAWYLLJKA-UHFFFAOYSA-N 0 3 286.419 2.613 20 30 CFEDHN C#CCN(C)CCCN[C@H](COC)c1ccc(Cl)cc1 ZINC000295098914 199343473 /nfs/dbraw/zinc/34/34/73/199343473.db2.gz VSPSXHIYWRVSFI-MRXNPFEDSA-N 0 3 294.826 2.572 20 30 CFEDHN C#CCOc1ccc(CN(C)[C@@H](CO)c2ccccc2)cc1 ZINC000295113576 199352268 /nfs/dbraw/zinc/35/22/68/199352268.db2.gz VJGGYZIAQBQXTM-IBGZPJMESA-N 0 3 295.382 2.864 20 30 CFEDHN CC(=O)c1ccc(C#N)c(NCC(C)(C)CN(C)C)c1 ZINC000273262519 192091352 /nfs/dbraw/zinc/09/13/52/192091352.db2.gz YEEKDQFTFJBKQI-UHFFFAOYSA-N 0 3 273.380 2.761 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000022836445 346250979 /nfs/dbraw/zinc/25/09/79/346250979.db2.gz QFXYEBUGPZTOMB-LJQANCHMSA-N 0 3 291.398 2.922 20 30 CFEDHN N#Cc1cccc(CN2CCC(NCc3ccco3)CC2)c1 ZINC000024878511 346257553 /nfs/dbraw/zinc/25/75/53/346257553.db2.gz LOQYXKUJIGTEKA-UHFFFAOYSA-N 0 3 295.386 2.905 20 30 CFEDHN C[C@@H]1C[C@@H](C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000028708705 346276680 /nfs/dbraw/zinc/27/66/80/346276680.db2.gz YCJFDVUFEXILLI-CKEIUWERSA-N 0 3 297.402 2.641 20 30 CFEDHN CC[C@H](CNc1ccc(C#N)cc1[N+](=O)[O-])N1CCCC1 ZINC000029623260 346283042 /nfs/dbraw/zinc/28/30/42/346283042.db2.gz BDNDGFWPYCMEBL-CYBMUJFWSA-N 0 3 288.351 2.753 20 30 CFEDHN N#Cc1ccc(OCCN2CCC(CF)CC2)cc1 ZINC000295145426 199371192 /nfs/dbraw/zinc/37/11/92/199371192.db2.gz MWJBIKCCEZLFML-UHFFFAOYSA-N 0 3 262.328 2.619 20 30 CFEDHN CC(C)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000047912070 346460987 /nfs/dbraw/zinc/46/09/87/346460987.db2.gz IFIQRVIZLPDPIH-INIZCTEOSA-N 0 3 279.428 2.551 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CC)C1 ZINC000048058451 346465878 /nfs/dbraw/zinc/46/58/78/346465878.db2.gz HJBLCHWLMAYQSR-AWEZNQCLSA-N 0 3 252.402 2.533 20 30 CFEDHN CC(C)CCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000049237415 346481312 /nfs/dbraw/zinc/48/13/12/346481312.db2.gz GPTITQWJOCHTGO-CQSZACIVSA-N 0 3 279.428 2.695 20 30 CFEDHN CSCCCN(C)CCOc1cccc(C#N)c1 ZINC000075721601 347095335 /nfs/dbraw/zinc/09/53/35/347095335.db2.gz XZJKJUHBRHVOHT-UHFFFAOYSA-N 0 3 264.394 2.622 20 30 CFEDHN CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000050509369 346495518 /nfs/dbraw/zinc/49/55/18/346495518.db2.gz XGTQXEFBRNQIDB-ZWKOTPCHSA-N 0 3 299.418 2.782 20 30 CFEDHN C=CCN(Cc1cccs1)Cc1ccn(C)c(=O)c1 ZINC000051262304 346501764 /nfs/dbraw/zinc/50/17/64/346501764.db2.gz QMSPXPPLXKLBBY-UHFFFAOYSA-N 0 3 274.389 2.635 20 30 CFEDHN COc1ccccc1OCCNCc1ccc(C#N)cc1 ZINC000052658755 346526814 /nfs/dbraw/zinc/52/68/14/346526814.db2.gz JVHYOOOOIMXLPN-UHFFFAOYSA-N 0 3 282.343 2.735 20 30 CFEDHN N#Cc1ccc(CN2CCCN(C/C=C/Cl)CC2)cc1 ZINC000055173023 346583785 /nfs/dbraw/zinc/58/37/85/346583785.db2.gz JTTKAZGOQPVODP-LREOWRDNSA-N 0 3 289.810 2.818 20 30 CFEDHN C[C@H](C#N)CN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000063746940 346709137 /nfs/dbraw/zinc/70/91/37/346709137.db2.gz FKKCZUHDHNSRCC-OAHLLOKOSA-N 0 3 299.418 2.517 20 30 CFEDHN CCCN(CC#N)C(=O)c1cccc(CN2CCCC2)c1 ZINC000064027004 346713930 /nfs/dbraw/zinc/71/39/30/346713930.db2.gz NKDNPEBNTDZFKB-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN C=C(C)CN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065964809 346745335 /nfs/dbraw/zinc/74/53/35/346745335.db2.gz LSSSCLOYEIWWCH-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCN(Cc1ccc(C(=O)NC)cc1)C1CCCCC1 ZINC000066872963 346783909 /nfs/dbraw/zinc/78/39/09/346783909.db2.gz RWOJRPKRUIVUSN-UHFFFAOYSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CCN1CCC(C(=O)NC(C)(C)CC(C)(C)C)CC1 ZINC000067144580 346793872 /nfs/dbraw/zinc/79/38/72/346793872.db2.gz FVNHIOLSMLKFNP-UHFFFAOYSA-N 0 3 278.440 2.663 20 30 CFEDHN N#Cc1ccc(CNCCN2Cc3ccccc3C2)cc1 ZINC000067450187 346802234 /nfs/dbraw/zinc/80/22/34/346802234.db2.gz NAGCVNPVXPECPP-UHFFFAOYSA-N 0 3 277.371 2.664 20 30 CFEDHN C=CCCCN(C)C(=O)c1ccccc1OCCN(C)C ZINC000076650595 347146138 /nfs/dbraw/zinc/14/61/38/347146138.db2.gz OIJARUPJFBGLPQ-UHFFFAOYSA-N 0 3 290.407 2.665 20 30 CFEDHN C=CCCCN(C)CC(=O)N(C1CC1)C1CCCC1 ZINC000076733709 347150448 /nfs/dbraw/zinc/15/04/48/347150448.db2.gz PHEMWYMRUOVHPU-UHFFFAOYSA-N 0 3 264.413 2.818 20 30 CFEDHN N#Cc1cccc(CN2CCC3(C2)CCOCC3)c1 ZINC000076157642 347126600 /nfs/dbraw/zinc/12/66/00/347126600.db2.gz WUXAWURQKCNFPM-UHFFFAOYSA-N 0 3 256.349 2.561 20 30 CFEDHN C[C@@H]1CCCCN1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000077656664 347206985 /nfs/dbraw/zinc/20/69/85/347206985.db2.gz GTNOHILCYCWZRS-GFCCVEGCSA-N 0 3 288.351 2.753 20 30 CFEDHN CC(C)CCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000077211754 347174213 /nfs/dbraw/zinc/17/42/13/347174213.db2.gz OAYGWCMTRYQRJR-INIZCTEOSA-N 0 3 285.391 2.641 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2CCC)CC1 ZINC000077307283 347185639 /nfs/dbraw/zinc/18/56/39/347185639.db2.gz WVIIDYIUNJOAIR-WBVHZDCISA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(Cl)CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000077790216 347215066 /nfs/dbraw/zinc/21/50/66/347215066.db2.gz OFSFCRDXHVURSN-CQSZACIVSA-N 0 3 295.814 2.649 20 30 CFEDHN COCC#CCN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000677133411 539556319 /nfs/dbraw/zinc/55/63/19/539556319.db2.gz USWJDTUFTANVDQ-JKSUJKDBSA-N 0 3 257.377 2.823 20 30 CFEDHN C[C@H](C(=O)N(CC#N)C1CCCC1)N1CCCCCC1 ZINC000078207595 347233111 /nfs/dbraw/zinc/23/31/11/347233111.db2.gz OGXZVFNGJWNZCG-CQSZACIVSA-N 0 3 277.412 2.546 20 30 CFEDHN CCN1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078834415 347276402 /nfs/dbraw/zinc/27/64/02/347276402.db2.gz CMXBWNLMDVUBCQ-LLVKDONJSA-N 0 3 298.312 2.868 20 30 CFEDHN C=CCCC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081128430 347405343 /nfs/dbraw/zinc/40/53/43/347405343.db2.gz GWKZJPDNUGAEIB-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN N#Cc1cccc(OCCN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000080984848 347393716 /nfs/dbraw/zinc/39/37/16/347393716.db2.gz VIEXPEGKSMQELM-OAHLLOKOSA-N 0 3 296.374 2.540 20 30 CFEDHN CCOC(=O)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000081545077 347424997 /nfs/dbraw/zinc/42/49/97/347424997.db2.gz AITMRPBSQSGVDV-LBPRGKRZSA-N 0 3 260.337 2.552 20 30 CFEDHN C=C(C)COc1cc(CN2CCC[C@@H]2CO)ccc1OC ZINC000092471107 347627868 /nfs/dbraw/zinc/62/78/68/347627868.db2.gz HZRKQVBUGOBAPE-OAHLLOKOSA-N 0 3 291.391 2.607 20 30 CFEDHN C[C@H](CNc1snc(Cl)c1C#N)N(C)C1CC1 ZINC000092649554 347636731 /nfs/dbraw/zinc/63/67/31/347636731.db2.gz NIGROURPGREFCR-SSDOTTSWSA-N 0 3 270.789 2.563 20 30 CFEDHN CCOC(=O)C1(C)CCN(CCCC(C)(C)C#N)CC1 ZINC000092823750 347648542 /nfs/dbraw/zinc/64/85/42/347648542.db2.gz AYTDRKWYWAIQBM-UHFFFAOYSA-N 0 3 280.412 2.982 20 30 CFEDHN CCN1CCCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092896748 347649972 /nfs/dbraw/zinc/64/99/72/347649972.db2.gz MUMISJLXIJACDX-UHFFFAOYSA-N 0 3 280.375 2.638 20 30 CFEDHN C[C@@H](NCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551042 347748512 /nfs/dbraw/zinc/74/85/12/347748512.db2.gz ZTLONDZWXZJDOW-CHWSQXEVSA-N 0 3 281.400 2.525 20 30 CFEDHN C=CC1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000111693144 347756419 /nfs/dbraw/zinc/75/64/19/347756419.db2.gz FEBAXCZUBRYLSW-UHFFFAOYSA-N 0 3 290.382 2.682 20 30 CFEDHN C=CCCCN1CCN(c2ccc(F)cc2OC)CC1 ZINC000117884197 347794922 /nfs/dbraw/zinc/79/49/22/347794922.db2.gz DEQQYOUGZLMXNU-UHFFFAOYSA-N 0 3 278.371 2.923 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000668555926 539577374 /nfs/dbraw/zinc/57/73/74/539577374.db2.gz IPWSSWYOOHJLJF-SFHVURJKSA-N 0 3 287.403 2.988 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000668554910 539575035 /nfs/dbraw/zinc/57/50/35/539575035.db2.gz RDVKKHJLTPTYHR-HALDLXJZSA-N 0 3 275.392 2.700 20 30 CFEDHN N#CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC1 ZINC000134521472 347898867 /nfs/dbraw/zinc/89/88/67/347898867.db2.gz JAOGBQKHTMVYQJ-INIZCTEOSA-N 0 3 297.402 2.634 20 30 CFEDHN CCN(Cc1ccc(C#N)cc1C)C[C@@H]1CCCO1 ZINC000165453726 348038734 /nfs/dbraw/zinc/03/87/34/348038734.db2.gz VGLJHPRFOUYIJG-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN C=CC[C@H](CO)NCc1cccc(SCC)c1 ZINC000185626965 348129009 /nfs/dbraw/zinc/12/90/09/348129009.db2.gz TUFVIEFQEXFATR-CYBMUJFWSA-N 0 3 251.395 2.825 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCSC[C@@H](C)C1 ZINC000190397074 348135597 /nfs/dbraw/zinc/13/55/97/348135597.db2.gz KDTCOVAWABVXIY-LBPRGKRZSA-N 0 3 276.405 2.752 20 30 CFEDHN CO[C@H]1CN(Cc2ccc(C#N)cc2C)CC[C@@H]1C ZINC000221137321 348170100 /nfs/dbraw/zinc/17/01/00/348170100.db2.gz NDZSZKZOOFSXDY-LRDDRELGSA-N 0 3 258.365 2.724 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248749670 348277054 /nfs/dbraw/zinc/27/70/54/348277054.db2.gz OEZBTUSYYBAWDK-VBQJREDUSA-N 0 3 297.402 2.926 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(Br)cc1F ZINC000273345959 192121478 /nfs/dbraw/zinc/12/14/78/192121478.db2.gz AELLFMPPDWRSPQ-NSHDSACASA-N 0 3 288.160 2.615 20 30 CFEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C=C1CCC1 ZINC000087133281 179396624 /nfs/dbraw/zinc/39/66/24/179396624.db2.gz HKBKGIMZCZJGMS-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN CC[C@@H](C(=O)N(CCC#N)Cc1ccco1)N(CC)CC ZINC000274178863 348334743 /nfs/dbraw/zinc/33/47/43/348334743.db2.gz OPCIXUHERXRCGX-HNNXBMFYSA-N 0 3 291.395 2.642 20 30 CFEDHN Cc1ccccc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000302221730 348372979 /nfs/dbraw/zinc/37/29/79/348372979.db2.gz KINVDFLKFQXGCF-CQSZACIVSA-N 0 3 294.358 2.803 20 30 CFEDHN N#Cc1cc(CN(CCO)CCc2ccccc2)ccc1F ZINC000305036058 348380721 /nfs/dbraw/zinc/38/07/21/348380721.db2.gz ILLGILJVJQPKBA-UHFFFAOYSA-N 0 3 298.361 2.734 20 30 CFEDHN CN(CCc1nc(-c2ccccc2)no1)[C@H]1CC[C@@H](C#N)C1 ZINC000293567716 348362850 /nfs/dbraw/zinc/36/28/50/348362850.db2.gz MTWZEQYQXJJINU-HIFRSBDPSA-N 0 3 296.374 2.903 20 30 CFEDHN C[C@H](CNc1ncc(C#N)cc1F)N1CCCC[C@H]1C ZINC000413054895 233011517 /nfs/dbraw/zinc/01/15/17/233011517.db2.gz PIFAQMDGPWGGOO-VXGBXAGGSA-N 0 3 276.359 2.767 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1ccc(C)cc1OC ZINC000320449956 348437002 /nfs/dbraw/zinc/43/70/02/348437002.db2.gz XRJBTYRRAUTKBR-KGLIPLIRSA-N 0 3 263.381 2.981 20 30 CFEDHN C=CCC[C@H](CO)NCc1cc(F)c(F)cc1F ZINC000321498165 348437363 /nfs/dbraw/zinc/43/73/63/348437363.db2.gz UMQISHWICUHUDM-SNVBAGLBSA-N 0 3 259.271 2.521 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](CO)c1cccnc1 ZINC000342274328 348457415 /nfs/dbraw/zinc/45/74/15/348457415.db2.gz HLXPDOKRWNGFFJ-QGZVFWFLSA-N 0 3 298.386 2.512 20 30 CFEDHN Cc1cc(C(=O)C(C#N)c2ccncn2)c(C)n1C(C)C ZINC000354481112 348501316 /nfs/dbraw/zinc/50/13/16/348501316.db2.gz XTLSVEFRDBOQAB-AWEZNQCLSA-N 0 3 282.347 2.966 20 30 CFEDHN Cn1nccc1[C@@H]1CCCCN1CCCSCC#N ZINC000370017197 348517311 /nfs/dbraw/zinc/51/73/11/348517311.db2.gz DURAUMHBJVZOEP-AWEZNQCLSA-N 0 3 278.425 2.594 20 30 CFEDHN C=CCN(Cc1ccc(C(=O)OC)cn1)C(C)(C)C ZINC000382484413 348529494 /nfs/dbraw/zinc/52/94/94/348529494.db2.gz SJPISBWOFFYYAH-UHFFFAOYSA-N 0 3 262.353 2.655 20 30 CFEDHN C[C@H]1SCC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000404031010 348589575 /nfs/dbraw/zinc/58/95/75/348589575.db2.gz XAWACLDNCRCKLW-NOZJJQNGSA-N 0 3 250.342 2.681 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CC2CCCC2)cc1F ZINC000404171549 348590763 /nfs/dbraw/zinc/59/07/63/348590763.db2.gz WBGHJGPAICKRTQ-HNNXBMFYSA-N 0 3 276.355 2.728 20 30 CFEDHN CC[C@@H](C#N)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000398035315 348567006 /nfs/dbraw/zinc/56/70/06/348567006.db2.gz SKRDIOBAVMCXFD-WMZOPIPTSA-N 0 3 299.418 2.707 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@H](CC#N)C2)cc1 ZINC000398971727 348567885 /nfs/dbraw/zinc/56/78/85/348567885.db2.gz WMQYZRGZVYOIOF-OAHLLOKOSA-N 0 3 253.349 2.878 20 30 CFEDHN N#Cc1csc(CNC[C@@H]2CC3CCC2CC3)n1 ZINC000400076870 348571351 /nfs/dbraw/zinc/57/13/51/348571351.db2.gz OUVWJVBRJJQZSL-MCIGGMRASA-N 0 3 261.394 2.931 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000584844054 348721522 /nfs/dbraw/zinc/72/15/22/348721522.db2.gz OFJPFOIQRLPIGF-KRWDZBQOSA-N 0 3 298.430 2.558 20 30 CFEDHN CN(Cc1ccnc(C#N)c1)C1CCC(F)(F)CC1 ZINC000588216171 348779675 /nfs/dbraw/zinc/77/96/75/348779675.db2.gz JYFPVJPHCGRKOK-UHFFFAOYSA-N 0 3 265.307 2.963 20 30 CFEDHN CC(C)(CNC(=O)CCCCCC#N)N1CCCCC1 ZINC000588249291 348781236 /nfs/dbraw/zinc/78/12/36/348781236.db2.gz NDVDQOGQTJAOAH-UHFFFAOYSA-N 0 3 279.428 2.841 20 30 CFEDHN COC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000589193465 348817686 /nfs/dbraw/zinc/81/76/86/348817686.db2.gz ITZHRAPHYNADPZ-UKRRQHHQSA-N 0 3 272.348 2.645 20 30 CFEDHN Cc1cnn([C@H]2CCN(Cc3ccc(C#N)cc3C)C2)c1 ZINC000589309473 348826230 /nfs/dbraw/zinc/82/62/30/348826230.db2.gz HJHHBSZIRCXEOZ-KRWDZBQOSA-N 0 3 280.375 2.819 20 30 CFEDHN Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000589344259 348828507 /nfs/dbraw/zinc/82/85/07/348828507.db2.gz ZVDGXPXAAWJPEE-DLBZAZTESA-N 0 3 292.386 2.946 20 30 CFEDHN N#Cc1ccc(CNC[C@H](CO)c2ccc(Cl)cc2)o1 ZINC000588928717 348804095 /nfs/dbraw/zinc/80/40/95/348804095.db2.gz LUBGLTXQXRZUGV-GFCCVEGCSA-N 0 3 290.750 2.670 20 30 CFEDHN Cc1ccccc1CN1CCCN(C(=O)CCCC#N)CC1 ZINC000589690172 348851263 /nfs/dbraw/zinc/85/12/63/348851263.db2.gz DAIQLDQRXJVHLS-UHFFFAOYSA-N 0 3 299.418 2.723 20 30 CFEDHN Cn1ncc2ccc(CN[C@H]3CCC[C@H](C#N)C3)cc21 ZINC000589727748 348853837 /nfs/dbraw/zinc/85/38/37/348853837.db2.gz BFZHWDDSTBEKQS-WFASDCNBSA-N 0 3 268.364 2.745 20 30 CFEDHN Cc1cc(C#N)ccc1CN(C(C)C)[C@H]1CCOC1 ZINC000589744603 348854472 /nfs/dbraw/zinc/85/44/72/348854472.db2.gz ZVDQELQZOQXHMJ-INIZCTEOSA-N 0 3 258.365 2.866 20 30 CFEDHN N#CCCC[C@@H](NCc1cn[nH]c1)c1ccccc1 ZINC000590068690 348872339 /nfs/dbraw/zinc/87/23/39/348872339.db2.gz PHWOZNTYFRLMQV-OAHLLOKOSA-N 0 3 254.337 2.934 20 30 CFEDHN C[C@H](NC[C@H](O)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000590169941 348881888 /nfs/dbraw/zinc/88/18/88/348881888.db2.gz JNGXYFWMVFRTHF-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000590173209 348883226 /nfs/dbraw/zinc/88/32/26/348883226.db2.gz PKNKGUJYCBQLCV-XPKDYRNWSA-N 0 3 274.339 2.971 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2(C#N)CC2)C1 ZINC000590174336 348883264 /nfs/dbraw/zinc/88/32/64/348883264.db2.gz MWWMWFCQBHKQBL-GOEBONIOSA-N 0 3 297.402 2.632 20 30 CFEDHN C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)N(C)C ZINC000590723547 348937305 /nfs/dbraw/zinc/93/73/05/348937305.db2.gz WEJUWVJGIBUTAV-NSHDSACASA-N 0 3 260.385 2.613 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)cc1C ZINC000590758974 348943492 /nfs/dbraw/zinc/94/34/92/348943492.db2.gz VFAHYPNITSVNDC-CVEARBPZSA-N 0 3 256.349 2.690 20 30 CFEDHN CC[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H](O)C(F)F ZINC000590779140 348948014 /nfs/dbraw/zinc/94/80/14/348948014.db2.gz GKTNPSZKFABTBU-ZNMIVQPWSA-N 0 3 294.345 2.930 20 30 CFEDHN CC(C)O[C@H]1C[C@H](NCc2ccnc(C#N)c2)C1(C)C ZINC000590756640 348944066 /nfs/dbraw/zinc/94/40/66/348944066.db2.gz JURGSFHPTZAFOK-GJZGRUSLSA-N 0 3 273.380 2.635 20 30 CFEDHN CN(C)CCOc1ccc(CN(C)CC(C)(C)C#N)cc1 ZINC000590371897 348897444 /nfs/dbraw/zinc/89/74/44/348897444.db2.gz DFKDCLNYMOKKDZ-UHFFFAOYSA-N 0 3 289.423 2.609 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000590594433 348912143 /nfs/dbraw/zinc/91/21/43/348912143.db2.gz DQOXNFFLSOHVTF-CZUORRHYSA-N 0 3 274.339 2.745 20 30 CFEDHN COC1CCN(CCNc2cccc(Cl)c2C#N)CC1 ZINC000590692745 348929170 /nfs/dbraw/zinc/92/91/70/348929170.db2.gz NVZBBNLKFPFNPX-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN C=C(C)COc1cc(CNC2([C@H](C)O)CC2)ccc1OC ZINC000668698076 539701631 /nfs/dbraw/zinc/70/16/31/539701631.db2.gz SQLHQCGRKDUNKM-ZDUSSCGKSA-N 0 3 291.391 2.653 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C2CCC2)C1 ZINC000591061924 348982411 /nfs/dbraw/zinc/98/24/11/348982411.db2.gz ONOGWPXUTUKUPZ-UNEWFSDZSA-N 0 3 291.439 2.551 20 30 CFEDHN N#Cc1cc(CN2CC3(CCC3)[C@H]2C2CCOCC2)ccn1 ZINC000591856314 349051179 /nfs/dbraw/zinc/05/11/79/349051179.db2.gz GMNSJZAKAWKEFV-QGZVFWFLSA-N 0 3 297.402 2.734 20 30 CFEDHN N#Cc1ccc2ncc(CN3CC[C@H](C4CCC4)C3)n2c1 ZINC000591267791 349004912 /nfs/dbraw/zinc/00/49/12/349004912.db2.gz VBHJUVHPTCNCLF-HNNXBMFYSA-N 0 3 280.375 2.828 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H]1CC1(F)F ZINC000591504107 349027503 /nfs/dbraw/zinc/02/75/03/349027503.db2.gz XNECIUKZADSYJN-GZMMTYOYSA-N 0 3 254.255 2.831 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CC1(F)F ZINC000591504109 349027563 /nfs/dbraw/zinc/02/75/63/349027563.db2.gz XNECIUKZADSYJN-KWQFWETISA-N 0 3 254.255 2.831 20 30 CFEDHN CC1CCC(N2CCN(Cc3ccncc3C#N)CC2)CC1 ZINC000592068577 349078345 /nfs/dbraw/zinc/07/83/45/349078345.db2.gz DCLPBVBIQDKXBY-UHFFFAOYSA-N 0 3 298.434 2.650 20 30 CFEDHN C=CCN1CCC(NC(=O)c2cccc3c2ccn3C)CC1 ZINC000592068994 349078903 /nfs/dbraw/zinc/07/89/03/349078903.db2.gz BPFAMSMRGVEBIH-UHFFFAOYSA-N 0 3 297.402 2.559 20 30 CFEDHN CCCN(CCN1CCCCC1)Cc1ccncc1C#N ZINC000592121768 349085749 /nfs/dbraw/zinc/08/57/49/349085749.db2.gz IDJBOFQPWWZDHR-UHFFFAOYSA-N 0 3 286.423 2.651 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCC)CC1 ZINC000592293495 349104856 /nfs/dbraw/zinc/10/48/56/349104856.db2.gz MVAJFMGNYVATAC-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN Cc1ccc(C2(NC(=O)[C@@H](N)CCCC#N)CCC2)cc1 ZINC000592345526 349106107 /nfs/dbraw/zinc/10/61/07/349106107.db2.gz HCCQELIALLZNGN-HNNXBMFYSA-N 0 3 285.391 2.512 20 30 CFEDHN CC(C)Cn1nccc1CNCCOc1ccc(C#N)cc1 ZINC000592364102 349109529 /nfs/dbraw/zinc/10/95/29/349109529.db2.gz SEUKXDZYRPMAAP-UHFFFAOYSA-N 0 3 298.390 2.579 20 30 CFEDHN CCCC[C@@](C)(CO)NCc1ccc(C#N)cc1F ZINC000592374878 349111023 /nfs/dbraw/zinc/11/10/23/349111023.db2.gz NTENTWRNPCIRDJ-HNNXBMFYSA-N 0 3 264.344 2.728 20 30 CFEDHN C[C@H]1CC2(CN1Cc1ccc(C#N)o1)CCOCC2 ZINC000592526657 349135353 /nfs/dbraw/zinc/13/53/53/349135353.db2.gz IWTPIZUSULAROG-LBPRGKRZSA-N 0 3 260.337 2.542 20 30 CFEDHN CN(C)CCOc1cccc(-c2cncc(C#N)c2)c1 ZINC000592985049 349181392 /nfs/dbraw/zinc/18/13/92/349181392.db2.gz SBYGRTBQGXVYAG-UHFFFAOYSA-N 0 3 267.332 2.561 20 30 CFEDHN CN1CCC[C@@H]1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000593013205 349187367 /nfs/dbraw/zinc/18/73/67/349187367.db2.gz IPGVUVIPRQCIJV-SQNIBIBYSA-N 0 3 283.419 2.852 20 30 CFEDHN N#Cc1cccc(OCCN2CCC23CCCC3)c1 ZINC000593037778 349191604 /nfs/dbraw/zinc/19/16/04/349191604.db2.gz DIXKZJUKZUSWME-UHFFFAOYSA-N 0 3 256.349 2.956 20 30 CFEDHN COCCN1CCN(CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000593101791 349209633 /nfs/dbraw/zinc/20/96/33/349209633.db2.gz TXXXGTAIMUIVEJ-UHFFFAOYSA-N 0 3 295.471 2.749 20 30 CFEDHN COC(=O)CC1(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000593057545 349197660 /nfs/dbraw/zinc/19/76/60/349197660.db2.gz OCMGBQXLTJFRTH-UHFFFAOYSA-N 0 3 286.375 2.673 20 30 CFEDHN C[C@H](CO)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000593084547 349204958 /nfs/dbraw/zinc/20/49/58/349204958.db2.gz ROFVERFJOVSJHA-KGLIPLIRSA-N 0 3 272.392 2.960 20 30 CFEDHN Cc1cc(CN2CCC([C@H](C)CO)CC2)ccc1C#N ZINC000593083447 349205059 /nfs/dbraw/zinc/20/50/59/349205059.db2.gz NJURBAADCZKYDV-CQSZACIVSA-N 0 3 272.392 2.707 20 30 CFEDHN C=CC[C@H]1CC[C@H](N2CCC[C@@H]2C(=O)OCC)C1 ZINC000593617024 349299820 /nfs/dbraw/zinc/29/98/20/349299820.db2.gz JRDSJJDBMIPTKL-MELADBBJSA-N 0 3 251.370 2.759 20 30 CFEDHN CC[C@@H](C#N)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000593452015 349274085 /nfs/dbraw/zinc/27/40/85/349274085.db2.gz XHBJRWBZBSFNML-KGLIPLIRSA-N 0 3 287.407 2.782 20 30 CFEDHN CCC(C#N)C(=O)N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000593482880 349280124 /nfs/dbraw/zinc/28/01/24/349280124.db2.gz UEVRKWGFDHODMC-NSHDSACASA-N 0 3 274.368 2.758 20 30 CFEDHN CC(C#N)C(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000593814464 349329488 /nfs/dbraw/zinc/32/94/88/349329488.db2.gz SNIKJLVAQYUBNS-QWRGUYRKSA-N 0 3 276.767 2.988 20 30 CFEDHN C[C@H](C(=O)N1Cc2cccc(C#N)c2C1)N1[C@H](C)CC[C@H]1C ZINC000593890577 349333247 /nfs/dbraw/zinc/33/32/47/349333247.db2.gz FPFPOGZIMFOXNK-MGPQQGTHSA-N 0 3 297.402 2.662 20 30 CFEDHN CC[C@H](CC#N)NCCCN(CC)CC(F)(F)F ZINC000594006854 349352244 /nfs/dbraw/zinc/35/22/44/349352244.db2.gz QCHJEPDCGHZHHZ-LLVKDONJSA-N 0 3 265.323 2.543 20 30 CFEDHN CC[C@@H](CC#N)NCCCOc1ccc([N+](=O)[O-])cc1 ZINC000594009435 349352976 /nfs/dbraw/zinc/35/29/76/349352976.db2.gz NEHZPVBOZYWCFI-LBPRGKRZSA-N 0 3 277.324 2.646 20 30 CFEDHN CO[C@H]1C[C@H]2C[C@H](NCC3(C#N)CCCC3)C[C@H]2C1 ZINC000593653342 349304855 /nfs/dbraw/zinc/30/48/55/349304855.db2.gz DJHKWPBYBVADNN-ZJIFFRHRSA-N 0 3 262.397 2.864 20 30 CFEDHN COC(=O)C[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)[C@H]1C ZINC000593654807 349305927 /nfs/dbraw/zinc/30/59/27/349305927.db2.gz PTAFRODXYHSEPQ-MELADBBJSA-N 0 3 278.396 2.638 20 30 CFEDHN COC(=O)C[C@@H]1CC[C@@H](NCC2(C#N)CCCC2)[C@@H]1C ZINC000593654805 349306024 /nfs/dbraw/zinc/30/60/24/349306024.db2.gz PTAFRODXYHSEPQ-HZSPNIEDSA-N 0 3 278.396 2.638 20 30 CFEDHN CCC(C#N)C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC000593744694 349318962 /nfs/dbraw/zinc/31/89/62/349318962.db2.gz JDAPAZCRYHJKTM-OLZOCXBDSA-N 0 3 296.411 2.656 20 30 CFEDHN CCC(C#N)C(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000593748388 349320595 /nfs/dbraw/zinc/32/05/95/349320595.db2.gz YKPOMQQKXXLLHZ-YNEHKIRRSA-N 0 3 294.395 2.505 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@@H](C)CSc1ccccc1 ZINC000593760379 349321886 /nfs/dbraw/zinc/32/18/86/349321886.db2.gz BKALKJXJIAWZJM-NEPJUHHUSA-N 0 3 262.378 2.785 20 30 CFEDHN CCC(CC)CN(CCC#N)C(=O)CN1CC[C@H](C)C1 ZINC000594282866 349404193 /nfs/dbraw/zinc/40/41/93/349404193.db2.gz AOQQAEARNSASPA-AWEZNQCLSA-N 0 3 279.428 2.507 20 30 CFEDHN C[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CCCCC#N ZINC000594439021 349422507 /nfs/dbraw/zinc/42/25/07/349422507.db2.gz ZCHPHIXCSKOXNZ-HIFRSBDPSA-N 0 3 279.428 2.873 20 30 CFEDHN CN(CCC1CCCCC1)C(=O)[C@H](N)CCCCC#N ZINC000594438381 349422683 /nfs/dbraw/zinc/42/26/83/349422683.db2.gz NBRLWWQQLNDDAF-OAHLLOKOSA-N 0 3 279.428 2.826 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)[C@H]1CCCC[C@@H]1C ZINC000594437439 349422791 /nfs/dbraw/zinc/42/27/91/349422791.db2.gz WBMTXVQASPNDHS-ZNMIVQPWSA-N 0 3 279.428 2.825 20 30 CFEDHN CCC[C@H]1CCCCN1C(=O)[C@H](N)CCCCC#N ZINC000594438702 349422862 /nfs/dbraw/zinc/42/28/62/349422862.db2.gz VTFRUKFNUFGCLO-UONOGXRCSA-N 0 3 265.401 2.579 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)Nc1cnc2ccccc2c1 ZINC000594441755 349423380 /nfs/dbraw/zinc/42/33/80/349423380.db2.gz WIVTXYLCPRZQBT-CQSZACIVSA-N 0 3 282.347 2.585 20 30 CFEDHN C[C@H](NC(=O)[C@@H](N)CCCCC#N)c1cccc(F)c1F ZINC000594443818 349423589 /nfs/dbraw/zinc/42/35/89/349423589.db2.gz VETZPQAWMRNCDE-GWCFXTLKSA-N 0 3 295.333 2.553 20 30 CFEDHN CC[C@H](C)[C@H]1CCCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594447100 349424293 /nfs/dbraw/zinc/42/42/93/349424293.db2.gz SYIIUDDEDYCTAM-SOUVJXGZSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCc1ccc(C2CC2)cc1 ZINC000594447212 349424545 /nfs/dbraw/zinc/42/45/45/349424545.db2.gz VNXCZTNONAKSLX-MRXNPFEDSA-N 0 3 285.391 2.591 20 30 CFEDHN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594445515 349424938 /nfs/dbraw/zinc/42/49/38/349424938.db2.gz GWHLFZBWGKCVDM-MCIONIFRSA-N 0 3 279.428 2.729 20 30 CFEDHN N#Cc1ccc2c(c1)CN(C(=O)[C@H](N)CC1CCCCC1)C2 ZINC000594451793 349425217 /nfs/dbraw/zinc/42/52/17/349425217.db2.gz FZIWVFSZMDWHMC-QGZVFWFLSA-N 0 3 297.402 2.698 20 30 CFEDHN CC(C)C[C@@H](CN(C)C)NC(=O)CC1(C#N)CCCCC1 ZINC000596926464 350006189 /nfs/dbraw/zinc/00/61/89/350006189.db2.gz QZSGKAPFOFZGCV-HNNXBMFYSA-N 0 3 293.455 2.943 20 30 CFEDHN COC(=O)[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596983435 350011441 /nfs/dbraw/zinc/01/14/41/350011441.db2.gz YVGKSJNWWRSBNZ-HNNXBMFYSA-N 0 3 298.386 2.627 20 30 CFEDHN N#CC1(c2ccc(CN(CCCO)C3CC3)cc2)CC1 ZINC000597010346 350016185 /nfs/dbraw/zinc/01/61/85/350016185.db2.gz NBBWQRGJPSKSOH-UHFFFAOYSA-N 0 3 270.376 2.589 20 30 CFEDHN C[C@@H]1[C@@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597086861 350028346 /nfs/dbraw/zinc/02/83/46/350028346.db2.gz BXTIPKFGEHUEES-HUUCEWRRSA-N 0 3 283.419 2.766 20 30 CFEDHN CCc1csc(CC2CCN(C(=O)C(C)C#N)CC2)n1 ZINC000594383358 349413382 /nfs/dbraw/zinc/41/33/82/349413382.db2.gz GRINZLILHCGZQA-NSHDSACASA-N 0 3 291.420 2.646 20 30 CFEDHN C[C@@H](CCc1ccccc1)NC(=O)[C@H](N)CCCCC#N ZINC000594424685 349416943 /nfs/dbraw/zinc/41/69/43/349416943.db2.gz IFIGTYFMXCAAAU-GOEBONIOSA-N 0 3 287.407 2.535 20 30 CFEDHN C[C@H](c1ccccc1)N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594425257 349417275 /nfs/dbraw/zinc/41/72/75/349417275.db2.gz GWGFRJORWSTQEC-HIFRSBDPSA-N 0 3 273.380 2.617 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000594425182 349417287 /nfs/dbraw/zinc/41/72/87/349417287.db2.gz GDSPTOUIYIFCIL-QWHCGFSZSA-N 0 3 291.420 2.823 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000594425790 349417624 /nfs/dbraw/zinc/41/76/24/349417624.db2.gz ABQBLZCFLVTYNU-ZDUSSCGKSA-N 0 3 270.336 2.518 20 30 CFEDHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)[C@H](N)CCCCC#N ZINC000594426496 349417787 /nfs/dbraw/zinc/41/77/87/349417787.db2.gz DGGXSYQHRRGIMR-SWLSCSKDSA-N 0 3 291.370 2.756 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCCC#N)c1ccccc1C ZINC000594426094 349417986 /nfs/dbraw/zinc/41/79/86/349417986.db2.gz MWUWWXOIDZRCSL-CQSZACIVSA-N 0 3 273.380 2.759 20 30 CFEDHN CC(C)CN(C(=O)[C@@H](N)CCCCC#N)C1CCCC1 ZINC000594427468 349418883 /nfs/dbraw/zinc/41/88/83/349418883.db2.gz ILJMJBGSQWCUJP-HNNXBMFYSA-N 0 3 279.428 2.825 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)[C@H]2CCCC[C@H]12 ZINC000594429289 349419765 /nfs/dbraw/zinc/41/97/65/349419765.db2.gz SFYHWIHAJKFOHH-FPCVCCKLSA-N 0 3 291.439 2.825 20 30 CFEDHN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594431117 349420853 /nfs/dbraw/zinc/42/08/53/349420853.db2.gz HUDAHQNPFUXIMB-KLHDSHLOSA-N 0 3 293.455 2.975 20 30 CFEDHN CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](N)CCCCC#N ZINC000594433377 349420878 /nfs/dbraw/zinc/42/08/78/349420878.db2.gz OSSAAQSQFWNJHE-QLFBSQMISA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000594435740 349421482 /nfs/dbraw/zinc/42/14/82/349421482.db2.gz JOHVQLFGVCLLQT-QWHCGFSZSA-N 0 3 291.420 2.653 20 30 CFEDHN N#Cc1ccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)o1 ZINC000597248491 350072673 /nfs/dbraw/zinc/07/26/73/350072673.db2.gz YDACBKLDRAYBOY-IYBDPMFKSA-N 0 3 272.348 2.544 20 30 CFEDHN C=CCOc1cccc(CN2CCC(O)(CC)CC2)c1 ZINC000271220474 191011385 /nfs/dbraw/zinc/01/13/85/191011385.db2.gz YSIKUMBQAKOCDB-UHFFFAOYSA-N 0 3 275.392 2.988 20 30 CFEDHN CO[C@H](C)CN(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126257 350033579 /nfs/dbraw/zinc/03/35/79/350033579.db2.gz IPKOQSGIVNTWIT-CYBMUJFWSA-N 0 3 258.365 2.708 20 30 CFEDHN CCN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOC1 ZINC000597131624 350035401 /nfs/dbraw/zinc/03/54/01/350035401.db2.gz CGGVMDAMQDTRNA-MRXNPFEDSA-N 0 3 270.376 2.853 20 30 CFEDHN C[C@@H]1C[C@H](N(C)C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597309082 350081728 /nfs/dbraw/zinc/08/17/28/350081728.db2.gz IEVNLZVDAUWISF-HUUCEWRRSA-N 0 3 291.439 2.792 20 30 CFEDHN COc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000597159418 350041801 /nfs/dbraw/zinc/04/18/01/350041801.db2.gz KMKPOOJEMTUTEO-GJZGRUSLSA-N 0 3 256.349 2.941 20 30 CFEDHN COc1ccc(C[C@H](C)CN2CC(CC#N)C2)cc1F ZINC000597203602 350054429 /nfs/dbraw/zinc/05/44/29/350054429.db2.gz MEIHAKDEJCVAEW-LBPRGKRZSA-N 0 3 276.355 2.858 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCC[C@@H]2C2CC2)n1 ZINC000414490038 233269522 /nfs/dbraw/zinc/26/95/22/233269522.db2.gz XCKUBFJCRDYXPJ-DGCLKSJQSA-N 0 3 261.394 2.931 20 30 CFEDHN C[C@H](CC#N)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000597724425 350129220 /nfs/dbraw/zinc/12/92/20/350129220.db2.gz HKPGBYJETYMCMM-OAHLLOKOSA-N 0 3 299.418 2.707 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CC[C@@H]1C(F)(F)F ZINC000597665339 350122349 /nfs/dbraw/zinc/12/23/49/350122349.db2.gz MPSIRZLYALWVDI-QWHCGFSZSA-N 0 3 296.292 2.922 20 30 CFEDHN C#CCOc1ccccc1CN1CCC2(C1)CCOCC2 ZINC000271243130 191024712 /nfs/dbraw/zinc/02/47/12/191024712.db2.gz ZKTOWPORJKWNRG-UHFFFAOYSA-N 0 3 285.387 2.701 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](O)CC(C)(C)C1 ZINC000295153296 199375782 /nfs/dbraw/zinc/37/57/82/199375782.db2.gz CYDSWQNSJNPELF-INIZCTEOSA-N 0 3 287.403 2.682 20 30 CFEDHN CC(C)[C@@H](C(=O)N1CCC[C@H](CC#N)C1)N1CCCCC1 ZINC000597913211 350156650 /nfs/dbraw/zinc/15/66/50/350156650.db2.gz ZMGAKULIBARCDT-CVEARBPZSA-N 0 3 291.439 2.649 20 30 CFEDHN CC(C#N)C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000597934327 350159972 /nfs/dbraw/zinc/15/99/72/350159972.db2.gz IMWHDIRCRKFDRZ-HIFRSBDPSA-N 0 3 286.375 2.742 20 30 CFEDHN CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598234632 350222434 /nfs/dbraw/zinc/22/24/34/350222434.db2.gz UQOBUJUKJBNHIY-JKSUJKDBSA-N 0 3 281.359 2.545 20 30 CFEDHN CC(C#N)C(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000598253818 350225067 /nfs/dbraw/zinc/22/50/67/350225067.db2.gz NQXUQSTUQHTDHP-WDMOLILDSA-N 0 3 292.766 2.788 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NC(=O)CCCCCC#N ZINC000598259663 350225283 /nfs/dbraw/zinc/22/52/83/350225283.db2.gz DERBOMKBLLPHKJ-OAHLLOKOSA-N 0 3 279.428 2.697 20 30 CFEDHN CC(C#N)C(=O)N1CCC2(CCc3ccccc3O2)CC1 ZINC000598398847 350256726 /nfs/dbraw/zinc/25/67/26/350256726.db2.gz LSYNEAOFIZAJSA-CYBMUJFWSA-N 0 3 284.359 2.532 20 30 CFEDHN CCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](C)C#N ZINC000598356168 350245667 /nfs/dbraw/zinc/24/56/67/350245667.db2.gz LPGPUKBQWFHBGR-RDJZCZTQSA-N 0 3 299.418 2.659 20 30 CFEDHN CN(C[C@H]1CC1(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598551066 350282292 /nfs/dbraw/zinc/28/22/92/350282292.db2.gz PHEHBDPDKCMSKZ-HZPDHXFCSA-N 0 3 295.386 2.745 20 30 CFEDHN C=CCOCCNCc1ccc(Br)cc1 ZINC000308824204 539789560 /nfs/dbraw/zinc/78/95/60/539789560.db2.gz QRTMETUMYOAMNQ-UHFFFAOYSA-N 0 3 270.170 2.741 20 30 CFEDHN C=C(CC)CNCc1cc(C(=O)OC)c2n1CCCC2 ZINC000598643669 350300272 /nfs/dbraw/zinc/30/02/72/350300272.db2.gz PNXNURYSWAHBMI-UHFFFAOYSA-N 0 3 276.380 2.667 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647935 350301400 /nfs/dbraw/zinc/30/14/00/350301400.db2.gz QEYMJBRZIIKQML-XJKCOSOUSA-N 0 3 258.365 2.570 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCc2occc21 ZINC000598713747 350316046 /nfs/dbraw/zinc/31/60/46/350316046.db2.gz CRGWJJZOSNYTBS-WCQYABFASA-N 0 3 262.353 2.547 20 30 CFEDHN CCC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccccn1 ZINC000598721787 350318710 /nfs/dbraw/zinc/31/87/10/350318710.db2.gz ZPZKLILHWJCOEK-ZIAGYGMSSA-N 0 3 275.396 2.813 20 30 CFEDHN CCC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccccn1 ZINC000598721780 350318903 /nfs/dbraw/zinc/31/89/03/350318903.db2.gz ZPZKLILHWJCOEK-KBPBESRZSA-N 0 3 275.396 2.813 20 30 CFEDHN CCOc1cc(C)ccc1CNC[C@@H](O)CC(C)(C)C#N ZINC000598727380 350320349 /nfs/dbraw/zinc/32/03/49/350320349.db2.gz WRBLUUBJONXTDE-HNNXBMFYSA-N 0 3 290.407 2.784 20 30 CFEDHN Cc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598587158 350286435 /nfs/dbraw/zinc/28/64/35/350286435.db2.gz NYUVBZMNEPIOTJ-OAHLLOKOSA-N 0 3 260.381 2.728 20 30 CFEDHN Cc1cccc(CN(C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598586369 350286465 /nfs/dbraw/zinc/28/64/65/350286465.db2.gz RQEGSVRLAWBLMX-HNNXBMFYSA-N 0 3 260.381 2.728 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000598591418 350287932 /nfs/dbraw/zinc/28/79/32/350287932.db2.gz AVWUOGOTRRJUHH-HUUCEWRRSA-N 0 3 258.365 2.734 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000598591282 350288295 /nfs/dbraw/zinc/28/82/95/350288295.db2.gz YGPRWUGDYURBGD-GDBMZVCRSA-N 0 3 290.382 2.916 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(c2nccs2)CC1 ZINC000598591655 350288354 /nfs/dbraw/zinc/28/83/54/350288354.db2.gz XTPUHDNWDBHZSJ-CYBMUJFWSA-N 0 3 293.436 2.623 20 30 CFEDHN Cc1ccc(CN(C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598591307 350288384 /nfs/dbraw/zinc/28/83/84/350288384.db2.gz ZAXTVTPNOXYMEL-GFCCVEGCSA-N 0 3 266.410 2.789 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000598591285 350288500 /nfs/dbraw/zinc/28/85/00/350288500.db2.gz YGPRWUGDYURBGD-ZBFHGGJFSA-N 0 3 290.382 2.916 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(C(F)(F)F)CC1 ZINC000598594748 350289450 /nfs/dbraw/zinc/28/94/50/350289450.db2.gz IXISNJVJJGKRMX-LLVKDONJSA-N 0 3 278.318 2.561 20 30 CFEDHN Cc1csc([C@H](NC[C@H](O)CC(C)(C)C#N)C2CC2)n1 ZINC000598601402 350290846 /nfs/dbraw/zinc/29/08/46/350290846.db2.gz KISQJHJIMBXJKZ-CHWSQXEVSA-N 0 3 293.436 2.793 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1cccc(F)c1F ZINC000598601916 350291787 /nfs/dbraw/zinc/29/17/87/350291787.db2.gz QISCWZKXVFGMOU-QWRGUYRKSA-N 0 3 282.334 2.916 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000598607877 350292665 /nfs/dbraw/zinc/29/26/65/350292665.db2.gz DCTRAJCEJHXXGW-WDEREUQCSA-N 0 3 278.318 2.561 20 30 CFEDHN COc1ccccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000598894893 350345739 /nfs/dbraw/zinc/34/57/39/350345739.db2.gz GUFVEXUJNZQWPI-CQSZACIVSA-N 0 3 288.391 2.884 20 30 CFEDHN Cc1cc(-c2cccc(OCCN(C)C)c2)cnc1C#N ZINC000598931409 350347774 /nfs/dbraw/zinc/34/77/74/350347774.db2.gz QQRKUVIHRNBMNL-UHFFFAOYSA-N 0 3 281.359 2.869 20 30 CFEDHN C[C@H](c1ccncc1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000091990070 180299283 /nfs/dbraw/zinc/29/92/83/180299283.db2.gz DDMKISURXQZDRB-DYVFJYSZSA-N 0 3 281.359 2.680 20 30 CFEDHN CCC[C@@H](CNCc1ccc(C#N)c(F)c1)OCC ZINC000598989312 350354722 /nfs/dbraw/zinc/35/47/22/350354722.db2.gz GDSDTRRQWIZNAX-AWEZNQCLSA-N 0 3 264.344 2.992 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCN2CC(F)F)cc1F ZINC000598988401 350354730 /nfs/dbraw/zinc/35/47/30/350354730.db2.gz RLOMBCPKFZJNMH-CYBMUJFWSA-N 0 3 297.324 2.516 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCCN2CC(F)F)cc1F ZINC000598988402 350354845 /nfs/dbraw/zinc/35/48/45/350354845.db2.gz RLOMBCPKFZJNMH-ZDUSSCGKSA-N 0 3 297.324 2.516 20 30 CFEDHN N#CCCCOc1cccc(CNCc2ccc[nH]c2=O)c1 ZINC000599006529 350358124 /nfs/dbraw/zinc/35/81/24/350358124.db2.gz LRNZKWQHBJXUPF-UHFFFAOYSA-N 0 3 297.358 2.760 20 30 CFEDHN COCC#CCN1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000677820727 539795512 /nfs/dbraw/zinc/79/55/12/539795512.db2.gz UBONMGKXMHXJEZ-RDJZCZTQSA-N 0 3 257.377 2.589 20 30 CFEDHN CCC(C#N)(CC)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000599151990 350385787 /nfs/dbraw/zinc/38/57/87/350385787.db2.gz AXYLGCONLPTYHI-RBSFLKMASA-N 0 3 293.455 2.799 20 30 CFEDHN CCO[C@H](CN(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000599259942 350401714 /nfs/dbraw/zinc/40/17/14/350401714.db2.gz SCNVQOLEEBWUNZ-MRXNPFEDSA-N 0 3 258.365 2.805 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599433905 350436363 /nfs/dbraw/zinc/43/63/63/350436363.db2.gz MHICUEQTFWVZDV-XJKSGUPXSA-N 0 3 258.365 2.724 20 30 CFEDHN Cc1ccc(CN(C)[C@@H]2CCN(C3CC3)C2)cc1C#N ZINC000599290981 350407098 /nfs/dbraw/zinc/40/70/98/350407098.db2.gz GPFVWWYULKIJFX-QGZVFWFLSA-N 0 3 269.392 2.535 20 30 CFEDHN Cc1ccc(CN2CCC(n3ccnc3)CC2)cc1C#N ZINC000599305896 350411090 /nfs/dbraw/zinc/41/10/90/350411090.db2.gz BNEMQPWPZGEOBS-UHFFFAOYSA-N 0 3 280.375 2.900 20 30 CFEDHN CCOC[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599307705 350411167 /nfs/dbraw/zinc/41/11/67/350411167.db2.gz MLKZWVHUFYUIJI-HNNXBMFYSA-N 0 3 258.365 2.725 20 30 CFEDHN COC(=O)CCCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599343110 350418451 /nfs/dbraw/zinc/41/84/51/350418451.db2.gz YCHRGEDMLNKUGW-UHFFFAOYSA-N 0 3 298.386 2.991 20 30 CFEDHN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccc(F)cc1F ZINC000599344191 350419635 /nfs/dbraw/zinc/41/96/35/350419635.db2.gz ADZQSUFCGVBIQQ-PWSUYJOCSA-N 0 3 280.318 2.670 20 30 CFEDHN CCOc1cccc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)c1 ZINC000599349692 350420539 /nfs/dbraw/zinc/42/05/39/350420539.db2.gz QHRNWEPUNSQBIS-HIFRSBDPSA-N 0 3 288.391 2.791 20 30 CFEDHN COc1ccc(F)cc1[C@H](C)NC[C@H](O)CC1(C#N)CC1 ZINC000599350867 350420549 /nfs/dbraw/zinc/42/05/49/350420549.db2.gz VHXXWVFHJCQYBL-WCQYABFASA-N 0 3 292.354 2.540 20 30 CFEDHN COc1ccc([C@H](C)NC[C@H](O)CC2(C#N)CC2)cc1F ZINC000599349994 350420574 /nfs/dbraw/zinc/42/05/74/350420574.db2.gz QUBSZFKJMIIVPZ-WCQYABFASA-N 0 3 292.354 2.540 20 30 CFEDHN Cc1ccc(CN(C)C[C@@H]2CCCC[C@H]2O)cc1C#N ZINC000599366115 350424349 /nfs/dbraw/zinc/42/43/49/350424349.db2.gz KNNSZXPVTMOJAR-DOTOQJQBSA-N 0 3 272.392 2.850 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599398560 350430777 /nfs/dbraw/zinc/43/07/77/350430777.db2.gz ZDOHHFQEICNEIV-BBRMVZONSA-N 0 3 258.365 2.866 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000599526938 350450475 /nfs/dbraw/zinc/45/04/75/350450475.db2.gz XMPYPXZNXNTHIL-LBPRGKRZSA-N 0 3 263.337 2.773 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000599526692 350450814 /nfs/dbraw/zinc/45/08/14/350450814.db2.gz PMVWIXMOJSRNIS-GFCCVEGCSA-N 0 3 263.337 2.773 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589522 350461466 /nfs/dbraw/zinc/46/14/66/350461466.db2.gz MOVMHFDGPMSJDJ-MCIONIFRSA-N 0 3 280.412 2.978 20 30 CFEDHN Cc1ccc(CN2CCC[C@H](C)[C@@H]2CCO)cc1C#N ZINC000599465265 350441575 /nfs/dbraw/zinc/44/15/75/350441575.db2.gz DSBWNRJBBVWGNI-YOEHRIQHSA-N 0 3 272.392 2.850 20 30 CFEDHN C[C@H](CN(C)[C@@H](C)C(=O)N(C)CCC#N)C1CCCCC1 ZINC000599632981 350469213 /nfs/dbraw/zinc/46/92/13/350469213.db2.gz INWVMECDNBQZAB-CABCVRRESA-N 0 3 293.455 2.895 20 30 CFEDHN COC(=O)[C@@H]1CCN(CCC(C)(C)C#N)[C@H]2CCC[C@H]21 ZINC000599651494 350472951 /nfs/dbraw/zinc/47/29/51/350472951.db2.gz CHRPKRZFWLMKQO-MJBXVCDLSA-N 0 3 278.396 2.590 20 30 CFEDHN N#CCc1cccc2c1CCN(CC[C@H]1CCCO1)C2 ZINC000599679105 350481005 /nfs/dbraw/zinc/48/10/05/350481005.db2.gz WDAWCSFWZYSQHU-MRXNPFEDSA-N 0 3 270.376 2.680 20 30 CFEDHN COc1ccc([C@@H]2CCN(CCCC#N)C2)cc1F ZINC000599679786 350481049 /nfs/dbraw/zinc/48/10/49/350481049.db2.gz OWBZEDJUNQTRAL-CYBMUJFWSA-N 0 3 262.328 2.927 20 30 CFEDHN C[C@@H]1CC[C@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000599679433 350481337 /nfs/dbraw/zinc/48/13/37/350481337.db2.gz ZYNBOINWFIPNCQ-CZUORRHYSA-N 0 3 270.376 2.678 20 30 CFEDHN COC(=O)C1C[C@@H](C)N(CCC(C)(C)C#N)[C@H](C)C1 ZINC000599692736 350484236 /nfs/dbraw/zinc/48/42/36/350484236.db2.gz BEOKRUOUIBBLQJ-VXGBXAGGSA-N 0 3 266.385 2.588 20 30 CFEDHN COC(=O)[C@@H]1C[C@@H](C)N(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000599690685 350484423 /nfs/dbraw/zinc/48/44/23/350484423.db2.gz PBZUCAKJMDSQBK-YWVIFJGQSA-N 0 3 286.375 2.720 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NCC1CC=CC1 ZINC000600223751 350542899 /nfs/dbraw/zinc/54/28/99/350542899.db2.gz AOUYIJMEIRLUML-MRXNPFEDSA-N 0 3 268.360 2.841 20 30 CFEDHN N#CCCCCCC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000600471966 350557411 /nfs/dbraw/zinc/55/74/11/350557411.db2.gz WFRVUUKINNBVTA-HNNXBMFYSA-N 0 3 277.412 2.594 20 30 CFEDHN CC(C)(C)c1ccncc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600734234 350603610 /nfs/dbraw/zinc/60/36/10/350603610.db2.gz BXPQVNGNTWNVSB-AWEZNQCLSA-N 0 3 287.407 2.523 20 30 CFEDHN N#CC1(C[C@@H](O)CN[C@H]2CCSc3ccccc32)CC1 ZINC000600714134 350600201 /nfs/dbraw/zinc/60/02/01/350600201.db2.gz JLLDKFQEBJOIPM-OCCSQVGLSA-N 0 3 288.416 2.868 20 30 CFEDHN N#CC1(C[C@H](O)CNCc2ccc(Cl)s2)CC1 ZINC000600715803 350600241 /nfs/dbraw/zinc/60/02/41/350600241.db2.gz CQKDHGCYFZTUBP-VIFPVBQESA-N 0 3 270.785 2.546 20 30 CFEDHN C[C@@H]1C[C@@H]1c1ccc(CNC[C@H](O)CC2(C#N)CC2)o1 ZINC000600716270 350600809 /nfs/dbraw/zinc/60/08/09/350600809.db2.gz JJFKWKVSQGMLPK-BZPMIXESSA-N 0 3 274.364 2.547 20 30 CFEDHN CC(C)Oc1ccccc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600719352 350601058 /nfs/dbraw/zinc/60/10/58/350601058.db2.gz JUXDNRTVQCWUCC-HNNXBMFYSA-N 0 3 288.391 2.618 20 30 CFEDHN N#CC1(C[C@@H](O)CNCc2ccc(F)c(Cl)c2)CC1 ZINC000600723047 350601520 /nfs/dbraw/zinc/60/15/20/350601520.db2.gz LZXFDHBGMCJWNK-LLVKDONJSA-N 0 3 282.746 2.623 20 30 CFEDHN N#CC1(C[C@H](O)CN[C@H]2CCCOc3ccccc32)CC1 ZINC000600722917 350601643 /nfs/dbraw/zinc/60/16/43/350601643.db2.gz KPMGKYWLBJANGB-ZFWWWQNUSA-N 0 3 286.375 2.545 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)o1 ZINC000271389419 191112514 /nfs/dbraw/zinc/11/25/14/191112514.db2.gz STTSUBMFZLXAPO-GFCCVEGCSA-N 0 3 297.362 2.526 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)o1 ZINC000271389419 191112516 /nfs/dbraw/zinc/11/25/16/191112516.db2.gz STTSUBMFZLXAPO-GFCCVEGCSA-N 0 3 297.362 2.526 20 30 CFEDHN COc1ccc(-c2ccc(N3CCNCC3)cc2)c(C#N)c1 ZINC000600792502 350613428 /nfs/dbraw/zinc/61/34/28/350613428.db2.gz YWZAFXFHUHNELH-UHFFFAOYSA-N 0 3 293.370 2.643 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000600802141 350614126 /nfs/dbraw/zinc/61/41/26/350614126.db2.gz KQSCGHFJIMFUNV-NOZJJQNGSA-N 0 3 262.740 2.993 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC#N ZINC000601011890 350645426 /nfs/dbraw/zinc/64/54/26/350645426.db2.gz VPVLKNAUCUJWQV-CABCVRRESA-N 0 3 299.418 2.603 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(C(F)F)nc2)C1 ZINC000601129672 350676634 /nfs/dbraw/zinc/67/66/34/350676634.db2.gz WJJXQQYSACYYOA-GXSJLCMTSA-N 0 3 251.280 2.801 20 30 CFEDHN CC[C@H](C)N[C@H](CNc1cc(C#N)cc(C)n1)c1ccco1 ZINC000601164299 350686080 /nfs/dbraw/zinc/68/60/80/350686080.db2.gz BCNLCOUMJOMFMB-SWLSCSKDSA-N 0 3 298.390 2.818 20 30 CFEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@@H](O)C(F)(F)F ZINC000601301110 350719921 /nfs/dbraw/zinc/71/99/21/350719921.db2.gz RDWKGJAIAFVZGX-CUOATXAZSA-N 0 3 298.308 2.837 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000601807434 350779970 /nfs/dbraw/zinc/77/99/70/350779970.db2.gz KVMDVDMUZOKETE-JKSUJKDBSA-N 0 3 285.391 2.512 20 30 CFEDHN CN(C)Cc1cccc(NCc2ccnc(C#N)c2)c1 ZINC000601935302 350808062 /nfs/dbraw/zinc/80/80/62/350808062.db2.gz RSQZBRLEIKRXRM-UHFFFAOYSA-N 0 3 266.348 2.627 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@H]1CCCOC1 ZINC000602027286 350835184 /nfs/dbraw/zinc/83/51/84/350835184.db2.gz GKUVFVQJKMLGJE-GFCCVEGCSA-N 0 3 262.328 2.604 20 30 CFEDHN CC(C)(C)N1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602029329 350836176 /nfs/dbraw/zinc/83/61/76/350836176.db2.gz UNTAGQVPRKNYLG-ZDUSSCGKSA-N 0 3 275.371 2.660 20 30 CFEDHN CN(CC(=O)N[C@H]1CCc2cc(C#N)ccc21)CC(C)(C)C ZINC000602138603 350845896 /nfs/dbraw/zinc/84/58/96/350845896.db2.gz CNZGKGZSWVJLEU-INIZCTEOSA-N 0 3 299.418 2.640 20 30 CFEDHN C[C@H](CCC#N)CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000602479328 350899759 /nfs/dbraw/zinc/89/97/59/350899759.db2.gz ILJCCYUUMKTTLT-PWSUYJOCSA-N 0 3 278.318 2.561 20 30 CFEDHN COC(=O)c1ccc2c(c1)CN(C[C@H](C)CCC#N)CC2 ZINC000602595018 350939890 /nfs/dbraw/zinc/93/98/90/350939890.db2.gz FMGZYBLCBREXOO-CYBMUJFWSA-N 0 3 286.375 2.771 20 30 CFEDHN COc1cccc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602508875 350909658 /nfs/dbraw/zinc/90/96/58/350909658.db2.gz NADJDPKESPGMCE-AWEZNQCLSA-N 0 3 288.391 2.884 20 30 CFEDHN C[C@H](Cc1ccccc1F)NCc1cccc(C#N)n1 ZINC000602519397 350912837 /nfs/dbraw/zinc/91/28/37/350912837.db2.gz ZRHGMTDRYUAZGT-GFCCVEGCSA-N 0 3 269.323 2.813 20 30 CFEDHN C[C@@H](CNCc1cccc(C#N)n1)COCc1ccccc1 ZINC000602525451 350913972 /nfs/dbraw/zinc/91/39/72/350913972.db2.gz HSHIFOKDUWFQPR-HNNXBMFYSA-N 0 3 295.386 2.896 20 30 CFEDHN Cc1csc(CCCCNCc2cccc(C#N)n2)n1 ZINC000602528225 350915357 /nfs/dbraw/zinc/91/53/57/350915357.db2.gz COKRGUMDYXTNNY-UHFFFAOYSA-N 0 3 286.404 2.831 20 30 CFEDHN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1NCC1(C)C ZINC000602528859 350915775 /nfs/dbraw/zinc/91/57/75/350915775.db2.gz MAWIOLOLZJBRPE-INIZCTEOSA-N 0 3 299.418 2.541 20 30 CFEDHN C[C@@H](CCc1ccc(O)cc1)NCc1cccc(C#N)n1 ZINC000602538934 350917812 /nfs/dbraw/zinc/91/78/12/350917812.db2.gz FOVMZZCLGDITEA-ZDUSSCGKSA-N 0 3 281.359 2.770 20 30 CFEDHN Cc1cccc2nc(CNC[C@@H](C)CCC#N)cn21 ZINC000602541160 350918344 /nfs/dbraw/zinc/91/83/44/350918344.db2.gz WCINGXWFBRAHIU-LBPRGKRZSA-N 0 3 256.353 2.672 20 30 CFEDHN Cc1ncc(CN[C@H](C)CC2(C#N)CCOCC2)s1 ZINC000602545935 350919335 /nfs/dbraw/zinc/91/93/35/350919335.db2.gz RZNAMMMIARKKQJ-LLVKDONJSA-N 0 3 279.409 2.640 20 30 CFEDHN N#Cc1cccc(CN[C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000602546770 350920177 /nfs/dbraw/zinc/92/01/77/350920177.db2.gz KVPRVQYZEVWVCI-YOEHRIQHSA-N 0 3 263.344 2.674 20 30 CFEDHN Cc1ccccc1O[C@H](C)CNCc1cccc(C#N)n1 ZINC000602555821 350922711 /nfs/dbraw/zinc/92/27/11/350922711.db2.gz AMWIQIGXXWMQRJ-CQSZACIVSA-N 0 3 281.359 2.819 20 30 CFEDHN N#Cc1cccc(CNC2CC(c3ccccc3)C2)n1 ZINC000602562833 350925194 /nfs/dbraw/zinc/92/51/94/350925194.db2.gz HBTDBQAWSFOGHU-UHFFFAOYSA-N 0 3 263.344 2.989 20 30 CFEDHN COC[C@H](NC[C@H](C)CCC#N)c1ccc(C)o1 ZINC000602563697 350925722 /nfs/dbraw/zinc/92/57/22/350925722.db2.gz GOOHOKWJDWXCRI-YPMHNXCESA-N 0 3 250.342 2.805 20 30 CFEDHN COC[C@H](NC[C@@H](C)CCC#N)c1ccc(C)o1 ZINC000602563694 350926198 /nfs/dbraw/zinc/92/61/98/350926198.db2.gz GOOHOKWJDWXCRI-AAEUAGOBSA-N 0 3 250.342 2.805 20 30 CFEDHN CCOc1cccc(CCNCc2cccc(C#N)n2)c1 ZINC000602580687 350932378 /nfs/dbraw/zinc/93/23/78/350932378.db2.gz DDSXPULJNYSADD-UHFFFAOYSA-N 0 3 281.359 2.684 20 30 CFEDHN Cc1cncc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602580944 350933930 /nfs/dbraw/zinc/93/39/30/350933930.db2.gz QMDOOHUVKCPJSW-CQSZACIVSA-N 0 3 273.380 2.579 20 30 CFEDHN CCOc1ccc(C#N)cc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000602591801 350937949 /nfs/dbraw/zinc/93/79/49/350937949.db2.gz MXWBJVRTXKBLKV-GXTWGEPZSA-N 0 3 273.380 2.852 20 30 CFEDHN C[C@@H](CCC#N)CN(C)CC(=O)N(C)C1CCCCC1 ZINC000602438472 350882693 /nfs/dbraw/zinc/88/26/93/350882693.db2.gz JTQWGOCXHKLAIM-AWEZNQCLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@@H](CCC#N)CN1CCN(CCc2cccs2)CC1 ZINC000602438235 350882756 /nfs/dbraw/zinc/88/27/56/350882756.db2.gz CPUCWLVTQQJJIV-HNNXBMFYSA-N 0 3 291.464 2.848 20 30 CFEDHN C[C@H](CCC#N)CN1CCN(CCC(C)(C)C)CC1 ZINC000602450529 350887933 /nfs/dbraw/zinc/88/79/33/350887933.db2.gz XRZKNQKOJAUQLY-OAHLLOKOSA-N 0 3 265.445 2.980 20 30 CFEDHN COCCN(Cc1scnc1C)C[C@H](C)CCC#N ZINC000602642515 350959088 /nfs/dbraw/zinc/95/90/88/350959088.db2.gz YQCHRTFXHDMFJP-GFCCVEGCSA-N 0 3 281.425 2.840 20 30 CFEDHN CCN(CC(=O)N1CCCCCC1)C[C@@H](C)CCC#N ZINC000602652291 350962196 /nfs/dbraw/zinc/96/21/96/350962196.db2.gz CDSYBJQLPMLKRS-HNNXBMFYSA-N 0 3 279.428 2.651 20 30 CFEDHN C[C@@H](NC[C@@H](C)CCC#N)c1c(F)cncc1F ZINC000602657572 350963294 /nfs/dbraw/zinc/96/32/94/350963294.db2.gz ZKTRYKZHWJTVMT-VHSXEESVSA-N 0 3 253.296 2.950 20 30 CFEDHN Cc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)ccn1 ZINC000602672026 350971016 /nfs/dbraw/zinc/97/10/16/350971016.db2.gz BZLDVWRRXTYOKK-AWEZNQCLSA-N 0 3 273.380 2.579 20 30 CFEDHN C[C@@H](CCC#N)CN1CC(N(C)Cc2ccccc2)C1 ZINC000602690543 350980914 /nfs/dbraw/zinc/98/09/14/350980914.db2.gz NXNFQFVWRJVNMO-HNNXBMFYSA-N 0 3 271.408 2.742 20 30 CFEDHN N#CC1CCC(N[C@H](CCO)c2ccccc2F)CC1 ZINC000602696169 350983743 /nfs/dbraw/zinc/98/37/43/350983743.db2.gz JBHAONBXTFJJRU-SEEARECTSA-N 0 3 276.355 2.921 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCC[C@H]2C2CC2)n1 ZINC000602696472 350983818 /nfs/dbraw/zinc/98/38/18/350983818.db2.gz PVCMFMUDSYQSRL-BBRMVZONSA-N 0 3 255.365 2.869 20 30 CFEDHN C[C@@H](CCC#N)CN1C[C@H](C)OC2(CCCC2)C1 ZINC000602703608 350988253 /nfs/dbraw/zinc/98/82/53/350988253.db2.gz RBNPBNAHYFOVOU-KBPBESRZSA-N 0 3 250.386 2.960 20 30 CFEDHN C[C@H](CCC#N)CN[C@H](CO)c1ccc(F)cc1F ZINC000602723850 351001359 /nfs/dbraw/zinc/00/13/59/351001359.db2.gz UHRNMVVZXFFNNY-QMTHXVAHSA-N 0 3 268.307 2.528 20 30 CFEDHN COC(=O)[C@@H]1CN(C[C@@H](C)CCC#N)Cc2ccccc21 ZINC000602729375 351003404 /nfs/dbraw/zinc/00/34/04/351003404.db2.gz JKFJAODBPFBLAU-XJKSGUPXSA-N 0 3 286.375 2.699 20 30 CFEDHN N#CCc1cccc2c1CCN(CCC[C@@H]1CCO1)C2 ZINC000602730610 351004179 /nfs/dbraw/zinc/00/41/79/351004179.db2.gz RQHHMGWFQRKEIQ-MRXNPFEDSA-N 0 3 270.376 2.680 20 30 CFEDHN CC1(C)CCC[C@@](O)(CNCc2cccc(C#N)n2)CC1 ZINC000602730798 351004182 /nfs/dbraw/zinc/00/41/82/351004182.db2.gz ISKPLNKRVXTZIF-KRWDZBQOSA-N 0 3 287.407 2.764 20 30 CFEDHN CC1(C)CCC[C@](O)(CNCc2cccc(C#N)n2)CC1 ZINC000602730800 351004241 /nfs/dbraw/zinc/00/42/41/351004241.db2.gz ISKPLNKRVXTZIF-QGZVFWFLSA-N 0 3 287.407 2.764 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)n1 ZINC000602617921 350948262 /nfs/dbraw/zinc/94/82/62/350948262.db2.gz PTUNABXBBBEMGX-QAPCUYQASA-N 0 3 293.370 2.963 20 30 CFEDHN COCCN(Cc1cccc(C#N)n1)[C@@H]1CC[C@@H](C)C1 ZINC000602631124 350953353 /nfs/dbraw/zinc/95/33/53/350953353.db2.gz OYVKTWWRZLOCHM-CZUORRHYSA-N 0 3 273.380 2.590 20 30 CFEDHN CCC1CCC(N(CCO)Cc2cccc(C#N)n2)CC1 ZINC000602633340 350954471 /nfs/dbraw/zinc/95/44/71/350954471.db2.gz HSKLDGBPROYDSF-UHFFFAOYSA-N 0 3 287.407 2.716 20 30 CFEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC2(CC#N)CC2)C1 ZINC000602767287 351017825 /nfs/dbraw/zinc/01/78/25/351017825.db2.gz CXSFLVUWNCVBNA-LSDHHAIUSA-N 0 3 291.439 2.697 20 30 CFEDHN N#Cc1ccc(CN(Cc2cc[nH]c(=O)c2)C2CC2)cc1 ZINC000602766800 351018476 /nfs/dbraw/zinc/01/84/76/351018476.db2.gz CFZOEAXSABVZTP-UHFFFAOYSA-N 0 3 279.343 2.823 20 30 CFEDHN CN(Cc1ccccc1)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602779675 351022199 /nfs/dbraw/zinc/02/21/99/351022199.db2.gz MKDNBUQKEOKZMU-KRWDZBQOSA-N 0 3 283.419 2.887 20 30 CFEDHN N#CCC1(CN(CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000602779111 351022876 /nfs/dbraw/zinc/02/28/76/351022876.db2.gz OWJJTMWHIIVUCX-MRXNPFEDSA-N 0 3 270.376 2.662 20 30 CFEDHN CO[C@@]1(C)C[C@H](N(C)CC2(CC#N)CC2)C1(C)C ZINC000602786505 351025241 /nfs/dbraw/zinc/02/52/41/351025241.db2.gz QTKCHRLTZZOTIG-JSGCOSHPSA-N 0 3 250.386 2.816 20 30 CFEDHN CC[C@@H](O)CN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602799300 351029634 /nfs/dbraw/zinc/02/96/34/351029634.db2.gz RLMFUSUOZQUJKF-MRXNPFEDSA-N 0 3 272.392 2.953 20 30 CFEDHN CCOC(=O)CCC1CCN(CC2(CC#N)CC2)CC1 ZINC000602799576 351030662 /nfs/dbraw/zinc/03/06/62/351030662.db2.gz IWIDGTLOUZXAPA-UHFFFAOYSA-N 0 3 278.396 2.736 20 30 CFEDHN N#CCC1(CN[C@H](CCCO)c2ccccc2)CC1 ZINC000602805378 351032582 /nfs/dbraw/zinc/03/25/82/351032582.db2.gz LIMIXTAHHZLTGB-OAHLLOKOSA-N 0 3 258.365 2.784 20 30 CFEDHN C[C@@H]1CN(CCc2ccc(Cl)cc2)C[C@H](C)N1CC#N ZINC000602848624 351043879 /nfs/dbraw/zinc/04/38/79/351043879.db2.gz HOLVUIMHWIHNFY-OKILXGFUSA-N 0 3 291.826 2.801 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CCC[C@H](c2cccnc2)C1 ZINC000602852215 351045045 /nfs/dbraw/zinc/04/50/45/351045045.db2.gz DWEHCZRBXCVPBN-HOTGVXAUSA-N 0 3 287.407 2.562 20 30 CFEDHN C[C@@H]1CN(Cc2cccc3cccnc32)C[C@H](C)N1CC#N ZINC000602853879 351045785 /nfs/dbraw/zinc/04/57/85/351045785.db2.gz MMRGRTLQJWANIN-GASCZTMLSA-N 0 3 294.402 2.653 20 30 CFEDHN C[C@H]1CN(CCC2CCCCC2)C[C@H](C)N1CC#N ZINC000602855998 351047582 /nfs/dbraw/zinc/04/75/82/351047582.db2.gz XPLFSMNJULLYGW-GJZGRUSLSA-N 0 3 263.429 2.875 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602883803 351056936 /nfs/dbraw/zinc/05/69/36/351056936.db2.gz MPAPRPKIQBLZIW-WCQYABFASA-N 0 3 278.356 2.553 20 30 CFEDHN Cc1csc(CC2(O)CCN([C@@H](C)CCC#N)CC2)n1 ZINC000602892626 351059395 /nfs/dbraw/zinc/05/93/95/351059395.db2.gz LTQLNAWOBGYXRN-ZDUSSCGKSA-N 0 3 293.436 2.513 20 30 CFEDHN CN(C)C[C@@H]1COC2(CCCC2)CN1CCC(C)(C)C#N ZINC000602905926 351062236 /nfs/dbraw/zinc/06/22/36/351062236.db2.gz HJYKRLLBXNUKPT-OAHLLOKOSA-N 0 3 293.455 2.501 20 30 CFEDHN CC(C)(C#N)CCN[C@@H](c1ccncc1)C1(CO)CCC1 ZINC000602905072 351062310 /nfs/dbraw/zinc/06/23/10/351062310.db2.gz ZSHUQVJQRVGRHU-HNNXBMFYSA-N 0 3 287.407 2.815 20 30 CFEDHN CC(C)N(CCN(C)C)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603072783 351100499 /nfs/dbraw/zinc/10/04/99/351100499.db2.gz LEIOUZPUFAANRM-UHFFFAOYSA-N 0 3 292.358 2.501 20 30 CFEDHN CC(C)[C@@H](N)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603242983 351124332 /nfs/dbraw/zinc/12/43/32/351124332.db2.gz LCPHWOLVGVTUAX-CQSZACIVSA-N 0 3 289.770 2.507 20 30 CFEDHN Cc1cnn(CCCCCN(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602978753 351079810 /nfs/dbraw/zinc/07/98/10/351079810.db2.gz WBSHZIHCYDFMAK-CVEARBPZSA-N 0 3 274.412 2.986 20 30 CFEDHN CCOC(=O)CCCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602978662 351080180 /nfs/dbraw/zinc/08/01/80/351080180.db2.gz UMTIRFZYMNUDQN-KBPBESRZSA-N 0 3 266.385 2.734 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN(C)[C@H]1CCC[C@H]1C#N ZINC000602982477 351083601 /nfs/dbraw/zinc/08/36/01/351083601.db2.gz TUXGETZHUKXHIU-KBPBESRZSA-N 0 3 280.412 2.980 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1F ZINC000602996997 351088421 /nfs/dbraw/zinc/08/84/21/351088421.db2.gz AFCGADLQXXSFCA-PMPSAXMXSA-N 0 3 288.366 2.823 20 30 CFEDHN C[C@@H]1C[C@@H](Nc2c(C#N)cnn2-c2ccccc2)CCN1C ZINC000603295767 351132686 /nfs/dbraw/zinc/13/26/86/351132686.db2.gz GMTVFTPZVONUAY-HIFRSBDPSA-N 0 3 295.390 2.639 20 30 CFEDHN C=CCOc1ccccc1CN(C)C1(CO)CCC1 ZINC000668802340 539814511 /nfs/dbraw/zinc/81/45/11/539814511.db2.gz LFSMFMJMIPXLJK-UHFFFAOYSA-N 0 3 261.365 2.598 20 30 CFEDHN C[C@@H](NC1CCN(CC#N)CC1)c1ccc(F)cc1F ZINC000609574599 351508637 /nfs/dbraw/zinc/50/86/37/351508637.db2.gz BFYYVSNMMXKERV-LLVKDONJSA-N 0 3 279.334 2.603 20 30 CFEDHN COc1cc2c(cc1CNCCCCC#N)O[C@H](C)C2 ZINC000609140484 351486960 /nfs/dbraw/zinc/48/69/60/351486960.db2.gz JYHCBIMXGCTEGD-GFCCVEGCSA-N 0 3 274.364 2.802 20 30 CFEDHN N#Cc1ccc(CNC(=O)CN(C2CC2)C2CCCC2)cc1 ZINC000609144564 351487888 /nfs/dbraw/zinc/48/78/88/351487888.db2.gz QFUQMDFUTQMMDH-UHFFFAOYSA-N 0 3 297.402 2.581 20 30 CFEDHN CC[C@@H](CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000609839991 351521954 /nfs/dbraw/zinc/52/19/54/351521954.db2.gz VTZDQSPAEOJKQT-ZDUSSCGKSA-N 0 3 288.351 2.753 20 30 CFEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1cccc(C#N)c1 ZINC000609839817 351522046 /nfs/dbraw/zinc/52/20/46/351522046.db2.gz WQLFXDRQXZDSQA-CQSZACIVSA-N 0 3 286.379 2.554 20 30 CFEDHN CC(C#N)C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000609920129 351528621 /nfs/dbraw/zinc/52/86/21/351528621.db2.gz LSEZMFYUIBWHSL-GFCCVEGCSA-N 0 3 281.315 2.650 20 30 CFEDHN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000610161296 351535453 /nfs/dbraw/zinc/53/54/53/351535453.db2.gz DUKBXLUTTFJKTK-OAHLLOKOSA-N 0 3 280.371 2.941 20 30 CFEDHN Cc1noc(C)c1C[C@@H](C)NCc1cccc(C#N)c1 ZINC000119735990 186848127 /nfs/dbraw/zinc/84/81/27/186848127.db2.gz BYZOVEUXFQKMDD-LLVKDONJSA-N 0 3 269.348 2.884 20 30 CFEDHN CC(C)[C@H](C#N)N1CCN(CCC2CCCC2)CC1 ZINC000610213169 351541494 /nfs/dbraw/zinc/54/14/94/351541494.db2.gz BUBZKIDIZOPFDF-INIZCTEOSA-N 0 3 263.429 2.732 20 30 CFEDHN CCCN1CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610245647 351544333 /nfs/dbraw/zinc/54/43/33/351544333.db2.gz GBJIIODKCIKQDI-UHFFFAOYSA-N 0 3 294.402 2.947 20 30 CFEDHN COc1ccccc1[C@H]1CCCCN1C(=O)C(C)C#N ZINC000610426677 351565961 /nfs/dbraw/zinc/56/59/61/351565961.db2.gz BEKMBYWSLMGYHC-GXTWGEPZSA-N 0 3 272.348 2.908 20 30 CFEDHN C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000610429763 351566057 /nfs/dbraw/zinc/56/60/57/351566057.db2.gz AWTXLQQGRPOKGR-HZSPNIEDSA-N 0 3 285.391 2.608 20 30 CFEDHN C[C@H](NCc1ccc2c(c1)nnn2C)c1cccc(C#N)c1 ZINC000610803772 351609311 /nfs/dbraw/zinc/60/93/11/351609311.db2.gz YFTCQZXEVAJQJJ-LBPRGKRZSA-N 0 3 291.358 2.691 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000610812466 351610484 /nfs/dbraw/zinc/61/04/84/351610484.db2.gz DIAUVFFVOGWQGM-HIFRSBDPSA-N 0 3 262.328 2.602 20 30 CFEDHN C[C@@H](CCc1ccccc1)N1CCN(CCC#N)CC1 ZINC000611175336 351646928 /nfs/dbraw/zinc/64/69/28/351646928.db2.gz DQJSMLFLERGHFH-INIZCTEOSA-N 0 3 271.408 2.539 20 30 CFEDHN CC(C#N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000610938109 351622582 /nfs/dbraw/zinc/62/25/82/351622582.db2.gz YTMZJUMGSZBCKP-ZETCQYMHSA-N 0 3 299.193 2.555 20 30 CFEDHN CS[C@@H]1CC[C@H]1NCc1ccc(C#N)cc1F ZINC000610947129 351623277 /nfs/dbraw/zinc/62/32/77/351623277.db2.gz ZWSONTIOWKXBCU-CHWSQXEVSA-N 0 3 250.342 2.681 20 30 CFEDHN CS[C@H]1CC[C@H]1NCc1ccc(C#N)cc1F ZINC000610947130 351623284 /nfs/dbraw/zinc/62/32/84/351623284.db2.gz ZWSONTIOWKXBCU-OLZOCXBDSA-N 0 3 250.342 2.681 20 30 CFEDHN CCCO[C@@H]1CCCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992722 351629563 /nfs/dbraw/zinc/62/95/63/351629563.db2.gz FPBYVLCNJCVAMM-MRXNPFEDSA-N 0 3 273.380 2.734 20 30 CFEDHN CO[C@]1(C)C[C@@H](N(C)Cc2ccnc(C#N)c2)C1(C)C ZINC000610993814 351631229 /nfs/dbraw/zinc/63/12/29/351631229.db2.gz JODYFGJIKMMTER-GDBMZVCRSA-N 0 3 273.380 2.589 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc(CO)cc2)c(F)c1 ZINC000611443394 351690844 /nfs/dbraw/zinc/69/08/44/351690844.db2.gz LWQFSFSRKOSQFO-UHFFFAOYSA-N 0 3 284.334 2.522 20 30 CFEDHN COc1ccc(COCCN2CCC(CC#N)CC2)cc1 ZINC000611687978 351723044 /nfs/dbraw/zinc/72/30/44/351723044.db2.gz RECLRGFEWYVGEY-UHFFFAOYSA-N 0 3 288.391 2.837 20 30 CFEDHN C[C@@H]1CC[C@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000611696397 351724727 /nfs/dbraw/zinc/72/47/27/351724727.db2.gz ADFXTVHGVOCKBM-CJNGLKHVSA-N 0 3 255.365 2.965 20 30 CFEDHN CC(C)[C@@H](C#N)N1CCN(CC2CCC(C)CC2)CC1 ZINC000612450078 351823002 /nfs/dbraw/zinc/82/30/02/351823002.db2.gz XDHGGJLMKVNDFE-OFLPRAFFSA-N 0 3 277.456 2.978 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000123774108 187108558 /nfs/dbraw/zinc/10/85/58/187108558.db2.gz KGISLRGWLKTXJR-CJNGLKHVSA-N 0 3 258.365 2.684 20 30 CFEDHN C[C@H](O)C[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000123814421 187109972 /nfs/dbraw/zinc/10/99/72/187109972.db2.gz HKAGOFIFRPRVBU-SWLSCSKDSA-N 0 3 276.355 2.823 20 30 CFEDHN CCn1nc(C)c(CN[C@@H]2CCC[C@H](C#N)C2)c1C ZINC000613254757 351925593 /nfs/dbraw/zinc/92/55/93/351925593.db2.gz XNIWMOJUOPJETL-UONOGXRCSA-N 0 3 260.385 2.692 20 30 CFEDHN CC(C)N(Cc1ccc(F)c(C#N)c1)[C@@H]1CCOC1 ZINC000291971036 198120832 /nfs/dbraw/zinc/12/08/32/198120832.db2.gz VNVHCPGBEIJMLY-CQSZACIVSA-N 0 3 262.328 2.697 20 30 CFEDHN CCN1CCCC[C@@H]1CNc1ccc(C#N)c(C)n1 ZINC000291934603 198109985 /nfs/dbraw/zinc/10/99/85/198109985.db2.gz MLBPYBWNQCYGEO-CQSZACIVSA-N 0 3 258.369 2.548 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC000613389796 351949671 /nfs/dbraw/zinc/94/96/71/351949671.db2.gz RADZERBBUJNACC-SCLBCKFNSA-N 0 3 298.361 2.952 20 30 CFEDHN CN(C)C[C@H]1CCCN1c1nc(C(C)(C)C)ccc1C#N ZINC000613429947 351958145 /nfs/dbraw/zinc/95/81/45/351958145.db2.gz WUTYOWFMAJBOOE-CQSZACIVSA-N 0 3 286.423 2.781 20 30 CFEDHN COCC[C@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000613503395 351971277 /nfs/dbraw/zinc/97/12/77/351971277.db2.gz TWLFWBJNEYGHCI-CQSZACIVSA-N 0 3 273.380 2.592 20 30 CFEDHN COCC[C@@H]1CCCCN(Cc2ccnc(C#N)c2)C1 ZINC000613503391 351971456 /nfs/dbraw/zinc/97/14/56/351971456.db2.gz TWLFWBJNEYGHCI-AWEZNQCLSA-N 0 3 273.380 2.592 20 30 CFEDHN CC(C)(C#N)c1ccc(CN2CCC[C@@H](CO)C2)cc1 ZINC000614159594 352054311 /nfs/dbraw/zinc/05/43/11/352054311.db2.gz IIIIUOYFPJJHPC-OAHLLOKOSA-N 0 3 272.392 2.692 20 30 CFEDHN N#Cc1ccc(CN2CCOCC3(CCCC3)C2)cc1 ZINC000614222596 352064292 /nfs/dbraw/zinc/06/42/92/352064292.db2.gz GMTXKOFIXZHQFO-UHFFFAOYSA-N 0 3 270.376 2.951 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1O ZINC000614595430 352106025 /nfs/dbraw/zinc/10/60/25/352106025.db2.gz SJUBBEPIDFALDP-CZUORRHYSA-N 0 3 272.392 2.690 20 30 CFEDHN C=CCSCCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000292018227 198136030 /nfs/dbraw/zinc/13/60/30/198136030.db2.gz CCZIKQRWGBTCCB-ZDUSSCGKSA-N 0 3 280.441 2.935 20 30 CFEDHN C=CCSCCN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292018227 198136031 /nfs/dbraw/zinc/13/60/31/198136031.db2.gz CCZIKQRWGBTCCB-ZDUSSCGKSA-N 0 3 280.441 2.935 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@H](n2cccn2)C1 ZINC000292026762 198137080 /nfs/dbraw/zinc/13/70/80/198137080.db2.gz YSNMDKWZYXBCJK-CJNGLKHVSA-N 0 3 266.348 2.763 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000271487843 191169515 /nfs/dbraw/zinc/16/95/15/191169515.db2.gz UGMFFEZAHYGOBU-UHFFFAOYSA-N 0 3 269.348 2.537 20 30 CFEDHN C=CCOCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000589316916 539848290 /nfs/dbraw/zinc/84/82/90/539848290.db2.gz WISGOMHYACUJBD-UHFFFAOYSA-N 0 3 284.281 2.869 20 30 CFEDHN CC(C)[C@H]1CN(c2cc(C#N)nc3ccccc32)CCN1C ZINC000617000684 352458900 /nfs/dbraw/zinc/45/89/00/352458900.db2.gz NPHWLBRYSCCPHP-GOSISDBHSA-N 0 3 294.402 2.883 20 30 CFEDHN C=CCC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCC1 ZINC000617008490 352462566 /nfs/dbraw/zinc/46/25/66/352462566.db2.gz HLWIYHKGWZOMEW-CYBMUJFWSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(CC)CC ZINC000617036711 352473757 /nfs/dbraw/zinc/47/37/57/352473757.db2.gz DGZUKGLSVWQTGQ-KBPBESRZSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617340709 352544729 /nfs/dbraw/zinc/54/47/29/352544729.db2.gz DXNDJABNDCIFGX-GFCCVEGCSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000617343410 352545818 /nfs/dbraw/zinc/54/58/18/352545818.db2.gz SHUKQWBTJHJEOR-GFCCVEGCSA-N 0 3 252.402 2.578 20 30 CFEDHN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000292083973 198157224 /nfs/dbraw/zinc/15/72/24/198157224.db2.gz DTWMHSHNUYTFFV-KRWDZBQOSA-N 0 3 293.370 2.915 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@H](C)CC[S@](C)=O)cc1 ZINC000271571117 191217836 /nfs/dbraw/zinc/21/78/36/191217836.db2.gz ZCFNZVLQZLKQFT-CKNLXJGOSA-N 0 3 293.432 2.506 20 30 CFEDHN CC(C)CCCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000617540477 352576625 /nfs/dbraw/zinc/57/66/25/352576625.db2.gz ZICWDWASVBVLQN-OAHLLOKOSA-N 0 3 251.418 2.588 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)[C@H](CC)N(CC)CC)C1 ZINC000617784024 352645640 /nfs/dbraw/zinc/64/56/40/352645640.db2.gz LSXUFKBQXQERRE-GJZGRUSLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCC(C)(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000292141686 198178942 /nfs/dbraw/zinc/17/89/42/198178942.db2.gz CYLBLJCOXVYFRL-UHFFFAOYSA-N 0 3 274.408 2.967 20 30 CFEDHN C[S@](=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000618571856 352815035 /nfs/dbraw/zinc/81/50/35/352815035.db2.gz DZPLIKVSQFUHDX-TYILLQQXSA-N 0 3 276.405 2.596 20 30 CFEDHN Cc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccc1C#N ZINC000618593587 352826991 /nfs/dbraw/zinc/82/69/91/352826991.db2.gz NCQGGWGXTKXSBF-INIZCTEOSA-N 0 3 280.375 2.969 20 30 CFEDHN COC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000618593495 352827195 /nfs/dbraw/zinc/82/71/95/352827195.db2.gz VYXFKLOYCDINQS-MRXNPFEDSA-N 0 3 286.375 2.784 20 30 CFEDHN COc1ccc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742310 352876085 /nfs/dbraw/zinc/87/60/85/352876085.db2.gz MHHDSELQMHFOCV-MRXNPFEDSA-N 0 3 279.343 2.739 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000618996301 352930620 /nfs/dbraw/zinc/93/06/20/352930620.db2.gz PKVDGHPVMBYGRU-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@@H](CCC#N)CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000619568641 353036888 /nfs/dbraw/zinc/03/68/88/353036888.db2.gz MRKWQNCEVJRJCR-JTQLQIEISA-N 0 3 288.317 2.811 20 30 CFEDHN CC(C)C[C@@H](C)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000619621026 353041256 /nfs/dbraw/zinc/04/12/56/353041256.db2.gz MGIUAAULUVZUMG-CVEARBPZSA-N 0 3 265.445 2.834 20 30 CFEDHN C#CCSCCNCc1ccc(SC)c(OC)c1 ZINC000152924883 188053370 /nfs/dbraw/zinc/05/33/70/188053370.db2.gz PIRQPIGGEHPYPF-UHFFFAOYSA-N 0 3 281.446 2.873 20 30 CFEDHN C#CCSCCNCc1ccccc1OC(F)F ZINC000152944234 188055065 /nfs/dbraw/zinc/05/50/65/188055065.db2.gz JMTDMEASGKDKFA-UHFFFAOYSA-N 0 3 271.332 2.744 20 30 CFEDHN CC(C)[C@H]1N(C[C@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000292341879 198251198 /nfs/dbraw/zinc/25/11/98/198251198.db2.gz DJXOZOUYBQDAEL-JKSUJKDBSA-N 0 3 272.392 2.958 20 30 CFEDHN CC1(C)C[C@@H](NCc2ccccc2C#N)C(C)(C)O1 ZINC000155161093 188187780 /nfs/dbraw/zinc/18/77/80/188187780.db2.gz HWBDNBLFUYDXAB-CQSZACIVSA-N 0 3 258.365 2.994 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)CCC1CCOCC1 ZINC000156851181 188284745 /nfs/dbraw/zinc/28/47/45/188284745.db2.gz JVGBACFIZNTLOS-UHFFFAOYSA-N 0 3 275.367 2.926 20 30 CFEDHN CN(C)Cc1ccnc(NCc2ccc(C#N)s2)c1 ZINC000157468594 188318821 /nfs/dbraw/zinc/31/88/21/188318821.db2.gz FEKAIVHEADGDMK-UHFFFAOYSA-N 0 3 272.377 2.688 20 30 CFEDHN C=CC[C@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ccccc1 ZINC000292623360 198354436 /nfs/dbraw/zinc/35/44/36/198354436.db2.gz UUFRDXBHDIOHFH-PKOBYXMFSA-N 0 3 298.430 2.901 20 30 CFEDHN C#CC[C@@H](NCCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000271688639 191277775 /nfs/dbraw/zinc/27/77/75/191277775.db2.gz JWCOPWAPQYCFIZ-MRXNPFEDSA-N 0 3 293.432 2.554 20 30 CFEDHN C=CCC[C@@H](C)N[C@H]1c2ccccc2CN(C)C1=O ZINC000623234880 353598370 /nfs/dbraw/zinc/59/83/70/353598370.db2.gz AORDKWBFQLRCJO-DOMZBBRYSA-N 0 3 258.365 2.644 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)C1 ZINC000623584463 353678877 /nfs/dbraw/zinc/67/88/77/353678877.db2.gz FXEDHTXMPKMLDQ-OWCLPIDISA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000623872556 353745890 /nfs/dbraw/zinc/74/58/90/353745890.db2.gz HYILMHNIGALREW-CYBMUJFWSA-N 0 3 279.428 2.538 20 30 CFEDHN C=CCC(C)(C)CNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000624112946 353809110 /nfs/dbraw/zinc/80/91/10/353809110.db2.gz QNZHRTYDZSTIMH-HNNXBMFYSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@H](O)CC1(O)CCC1 ZINC000625380323 354037685 /nfs/dbraw/zinc/03/76/85/354037685.db2.gz GUQBCCHYLMQNSK-QGZVFWFLSA-N 0 3 289.419 2.731 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Oc2cccc(F)c2)CC1 ZINC000625627101 354076657 /nfs/dbraw/zinc/07/66/57/354076657.db2.gz CGLCLFVADUQAHR-INIZCTEOSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NC2CCCCCC2)C1 ZINC000625699418 354088482 /nfs/dbraw/zinc/08/84/82/354088482.db2.gz DUVSSKPIPSLEAO-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000625706032 354092264 /nfs/dbraw/zinc/09/22/64/354092264.db2.gz WMZTVYZNHKMHQN-CABCVRRESA-N 0 3 272.392 2.762 20 30 CFEDHN C=CCC[C@@H](O)CN1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626125841 354203486 /nfs/dbraw/zinc/20/34/86/354203486.db2.gz ZMWCUCDYYXRFGF-HUUCEWRRSA-N 0 3 293.382 2.951 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626180458 354224499 /nfs/dbraw/zinc/22/44/99/354224499.db2.gz NRKWHJYRDHBFGA-BLLLJJGKSA-N 0 3 258.365 2.933 20 30 CFEDHN C=CC(C)(C)CCNC(=O)NC[C@H](N)c1ccccc1 ZINC000627079007 354344557 /nfs/dbraw/zinc/34/45/57/354344557.db2.gz WANHNCVRRBNYGQ-AWEZNQCLSA-N 0 3 275.396 2.588 20 30 CFEDHN C=CCn1cc(CNC[C@H]2CCCC[C@H]2CC)nn1 ZINC000628318535 354543385 /nfs/dbraw/zinc/54/33/85/354543385.db2.gz JUVVNIZXNAVIEB-ZIAGYGMSSA-N 0 3 262.401 2.770 20 30 CFEDHN C=CCOc1c(Cl)cc(CN(C)C[C@@H](C)O)cc1OC ZINC000628237815 354495251 /nfs/dbraw/zinc/49/52/51/354495251.db2.gz AGTZIMUYYKIABE-LLVKDONJSA-N 0 3 299.798 2.726 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000628487781 354604452 /nfs/dbraw/zinc/60/44/52/354604452.db2.gz LVRKBNQFEOZRDO-CQSZACIVSA-N 0 3 272.392 2.786 20 30 CFEDHN C=CCC[C@H](NCC(=O)N(C)CC)c1ccccc1 ZINC000271753632 191306447 /nfs/dbraw/zinc/30/64/47/191306447.db2.gz TZDNXFFSACNPAB-HNNXBMFYSA-N 0 3 260.381 2.762 20 30 CFEDHN C=CC[C@H]1CCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000628405033 354579269 /nfs/dbraw/zinc/57/92/69/354579269.db2.gz BTJOHRAABOBYME-AWEZNQCLSA-N 0 3 270.380 2.744 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cnc(N(C)C)s2)C1 ZINC000628405711 354579298 /nfs/dbraw/zinc/57/92/98/354579298.db2.gz RXQZFFBJPIMCQM-LLVKDONJSA-N 0 3 251.399 2.607 20 30 CFEDHN C=CCC[C@H](NCC(=O)N1CCC1)c1ccccc1 ZINC000271753666 191307011 /nfs/dbraw/zinc/30/70/11/191307011.db2.gz UBBYOOURZPYZKO-HNNXBMFYSA-N 0 3 258.365 2.516 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)C1 ZINC000628486313 354603825 /nfs/dbraw/zinc/60/38/25/354603825.db2.gz GFOCASXWWOPCMN-LXTVHRRPSA-N 0 3 264.413 2.672 20 30 CFEDHN C=CC[C@@H]1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000628486311 354604041 /nfs/dbraw/zinc/60/40/41/354604041.db2.gz GFOCASXWWOPCMN-APIJFGDWSA-N 0 3 264.413 2.672 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2CCC[C@@H]2O)ccc1OC ZINC000172633087 188818137 /nfs/dbraw/zinc/81/81/37/188818137.db2.gz WLNXSXXPIYWNJJ-GJZGRUSLSA-N 0 3 291.391 2.653 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000271868075 191379369 /nfs/dbraw/zinc/37/93/69/191379369.db2.gz LWAKHGIOECXMOP-NXHRZFHOSA-N 0 3 297.398 2.746 20 30 CFEDHN C=C(C)CCNCc1c(OC)cc(F)cc1OC ZINC000631150417 355316867 /nfs/dbraw/zinc/31/68/67/355316867.db2.gz SMFXANGTNSDVAK-UHFFFAOYSA-N 0 3 253.317 2.899 20 30 CFEDHN N#Cc1cc(F)c(N2CCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000301294693 283096620 /nfs/dbraw/zinc/09/66/20/283096620.db2.gz XVSBLXJNAPBQPD-ZDUSSCGKSA-N 0 3 291.345 2.901 20 30 CFEDHN C=CCc1cc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cc(OC)c1O ZINC000631221974 355358730 /nfs/dbraw/zinc/35/87/30/355358730.db2.gz KEDSRGKQBWABLU-TYNCELHUSA-N 0 3 291.391 2.785 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272220033 191586963 /nfs/dbraw/zinc/58/69/63/191586963.db2.gz TVRNLSJSDHXGNY-AWEZNQCLSA-N 0 3 278.440 2.944 20 30 CFEDHN C=CC[C@H](C)[C@H](C)NCc1c(Br)cnn1C ZINC000631684963 355546991 /nfs/dbraw/zinc/54/69/91/355546991.db2.gz PDXWZXBZFJWVHA-UWVGGRQHSA-N 0 3 286.217 2.873 20 30 CFEDHN C=CCCOCCN[C@@H]1CCc2cc(OC)ccc21 ZINC000631600535 355509677 /nfs/dbraw/zinc/50/96/77/355509677.db2.gz AJRUNNOIZDSHAI-MRXNPFEDSA-N 0 3 261.365 2.865 20 30 CFEDHN C=CCOCCN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631616770 355515328 /nfs/dbraw/zinc/51/53/28/355515328.db2.gz QEWXRIWDQLDXSX-CQSZACIVSA-N 0 3 277.364 2.701 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000352847593 283145811 /nfs/dbraw/zinc/14/58/11/283145811.db2.gz VPKDGQDUGLREFA-GXTWGEPZSA-N 0 3 298.308 2.828 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000121786333 283147956 /nfs/dbraw/zinc/14/79/56/283147956.db2.gz QANWOQDAVKSOKL-KRWDZBQOSA-N 0 3 292.386 2.712 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2O)c(C(F)(F)F)c1 ZINC000356188385 283148314 /nfs/dbraw/zinc/14/83/14/283148314.db2.gz DAABGHDAUTTXSQ-UONOGXRCSA-N 0 3 298.308 2.970 20 30 CFEDHN N#Cc1ccc(CN[C@H]2C=C[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000352842954 283148342 /nfs/dbraw/zinc/14/83/42/283148342.db2.gz PPRCCKCRDLQOAV-AAEUAGOBSA-N 0 3 296.292 2.604 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000334640456 283147402 /nfs/dbraw/zinc/14/74/02/283147402.db2.gz OYSABERSZJVTNT-OAHLLOKOSA-N 0 3 264.328 2.521 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1CSC[C@H]1C ZINC000295834034 199684914 /nfs/dbraw/zinc/68/49/14/199684914.db2.gz VMHOCADSJUSGJZ-TZMCWYRMSA-N 0 3 261.390 2.540 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000680580821 540240452 /nfs/dbraw/zinc/24/04/52/540240452.db2.gz FQLCUEUFYUCSKT-QZTJIDSGSA-N 0 3 288.435 2.520 20 30 CFEDHN N#Cc1ccc([C@H](O)CN2CC3(C2)CCCCC3)cc1 ZINC000273698495 192267388 /nfs/dbraw/zinc/26/73/88/192267388.db2.gz NGPFRMLBKINLRU-MRXNPFEDSA-N 0 3 270.376 2.858 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCC(F)(F)[C@@H]1O)CC2 ZINC000414306202 283197776 /nfs/dbraw/zinc/19/77/76/283197776.db2.gz SLQQPISTZLREQA-SOUVJXGZSA-N 0 3 292.329 2.684 20 30 CFEDHN N#Cc1csc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000449478502 283246855 /nfs/dbraw/zinc/24/68/55/283246855.db2.gz YKMKRLRHPHZJNS-RBSFLKMASA-N 0 3 276.405 2.745 20 30 CFEDHN COc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)cc1C#N ZINC000294690324 199136337 /nfs/dbraw/zinc/13/63/37/199136337.db2.gz ADLWQOKVAURXAX-OAHLLOKOSA-N 0 3 288.391 2.550 20 30 CFEDHN C[C@H](CC(C)(C)O)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000296542116 199927019 /nfs/dbraw/zinc/92/70/19/199927019.db2.gz RCAVXTUTPOLRCY-GHMZBOCLSA-N 0 3 264.344 2.897 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cccc(OC)c1F ZINC000669685148 540483286 /nfs/dbraw/zinc/48/32/86/540483286.db2.gz STKGNJJFKHCPDK-CZUORRHYSA-N 0 3 279.355 2.905 20 30 CFEDHN C=C(C)[C@@H](CO)N(C)CCCOc1cccc(Cl)c1 ZINC000678714771 540475576 /nfs/dbraw/zinc/47/55/76/540475576.db2.gz OOOAQAIABNQMGX-OAHLLOKOSA-N 0 3 283.799 2.978 20 30 CFEDHN CCC[C@@H](O)CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000297163297 200102072 /nfs/dbraw/zinc/10/20/72/200102072.db2.gz PAZYCPVWKWEIIK-OAHLLOKOSA-N 0 3 288.391 2.562 20 30 CFEDHN C#CCOc1cc(F)ccc1NC1CCN(C2CC2)CC1 ZINC000297669340 200257725 /nfs/dbraw/zinc/25/77/25/200257725.db2.gz JXYREDXBUKLZBZ-UHFFFAOYSA-N 0 3 288.366 2.876 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)c1ccsc1 ZINC000298313683 200392592 /nfs/dbraw/zinc/39/25/92/200392592.db2.gz PUKQFRABMGHDOV-CYBMUJFWSA-N 0 3 272.377 2.730 20 30 CFEDHN N#Cc1ccc(CNCCOCc2ccccc2)s1 ZINC000176981183 189018933 /nfs/dbraw/zinc/01/89/33/189018933.db2.gz HWNJOFBCQDCOSR-UHFFFAOYSA-N 0 3 272.373 2.926 20 30 CFEDHN C=CCOCCN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000671299730 540697788 /nfs/dbraw/zinc/69/77/88/540697788.db2.gz AHOKKLIPRDONDM-SNVBAGLBSA-N 0 3 270.760 2.597 20 30 CFEDHN C=CCC(CC=C)C(=O)NC1CCN(CC=C)CC1 ZINC000177103047 189028982 /nfs/dbraw/zinc/02/89/82/189028982.db2.gz DYLRGSGUCPOEST-UHFFFAOYSA-N 0 3 262.397 2.521 20 30 CFEDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1F ZINC000177313020 189043556 /nfs/dbraw/zinc/04/35/56/189043556.db2.gz UIJXIPFGOLVVQQ-CVEARBPZSA-N 0 3 287.382 2.756 20 30 CFEDHN Cn1cccc1[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000177691107 189064142 /nfs/dbraw/zinc/06/41/42/189064142.db2.gz ZLYVGMPKEOLAIL-MSOLQXFVSA-N 0 3 295.386 2.767 20 30 CFEDHN C=CCC[C@H](NCC(=O)NCCC)c1ccccc1 ZINC000178755845 189142991 /nfs/dbraw/zinc/14/29/91/189142991.db2.gz MNGMWHUDJWLBHZ-HNNXBMFYSA-N 0 3 260.381 2.810 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000178776911 189145487 /nfs/dbraw/zinc/14/54/87/189145487.db2.gz YLECHILCMXGUMY-BMFZPTHFSA-N 0 3 286.350 2.745 20 30 CFEDHN CC1(CNCc2ccc(C#N)cc2F)CCOCC1 ZINC000178794879 189147041 /nfs/dbraw/zinc/14/70/41/189147041.db2.gz HNNDYISOZMJVSX-UHFFFAOYSA-N 0 3 262.328 2.604 20 30 CFEDHN C#CCCOc1ccc(CN(C)[C@H](C)COC)cc1 ZINC000179370642 189189977 /nfs/dbraw/zinc/18/99/77/189189977.db2.gz LHSGUHRQSPENOK-CQSZACIVSA-N 0 3 261.365 2.555 20 30 CFEDHN C#CCCCCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000179777737 189219521 /nfs/dbraw/zinc/21/95/21/189219521.db2.gz BOIYFTYQMFWYPI-UHFFFAOYSA-N 0 3 288.391 2.759 20 30 CFEDHN C=CCN[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2 ZINC000180014646 189232513 /nfs/dbraw/zinc/23/25/13/189232513.db2.gz VNXJZWSIEVDORX-MFKMUULPSA-N 0 3 260.337 2.633 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@@H](C)c2ccccc21 ZINC000180034113 189233582 /nfs/dbraw/zinc/23/35/82/189233582.db2.gz SHQXJEPFCUTDPR-DOMZBBRYSA-N 0 3 258.365 2.517 20 30 CFEDHN Cn1cc(CN2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180038627 189234410 /nfs/dbraw/zinc/23/44/10/189234410.db2.gz JJKBMLPZEIZMOC-UHFFFAOYSA-N 0 3 266.348 2.555 20 30 CFEDHN C=CCSCCN[C@@H](C)c1cnc2cc(C)nn2c1C ZINC000180459477 189256317 /nfs/dbraw/zinc/25/63/17/189256317.db2.gz XLSNYAGZGPOBTB-LBPRGKRZSA-N 0 3 290.436 2.916 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CSC ZINC001098971394 781937354 /nfs/dbraw/zinc/93/73/54/781937354.db2.gz NVVRKVYFIWKIKJ-ZIAGYGMSSA-N 0 3 298.496 2.778 20 30 CFEDHN CC1([C@@H]2CCCN(Cc3cccc(C#N)c3)C2)OCCO1 ZINC000183825283 189368591 /nfs/dbraw/zinc/36/85/91/189368591.db2.gz PEQRQCQJMFQSME-MRXNPFEDSA-N 0 3 286.375 2.533 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671753154 541085487 /nfs/dbraw/zinc/08/54/87/541085487.db2.gz FNNRHTDFUAWMEW-LLVKDONJSA-N 0 3 276.336 2.777 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](n2ccnn2)C1 ZINC000425502873 239082337 /nfs/dbraw/zinc/08/23/37/239082337.db2.gz RAMFJUJBFYVOPH-CJNGLKHVSA-N 0 3 281.363 2.548 20 30 CFEDHN CCN(CC)CCNc1cc(C#N)ccc1C(C)=O ZINC000302134366 201357648 /nfs/dbraw/zinc/35/76/48/201357648.db2.gz ZIYURZBDEXPLAC-UHFFFAOYSA-N 0 3 259.353 2.515 20 30 CFEDHN C=CCC(C)(C)CNC(=O)Nc1cccc(CN)c1 ZINC000667733984 541302440 /nfs/dbraw/zinc/30/24/40/541302440.db2.gz PADDHWAEBKDQPB-UHFFFAOYSA-N 0 3 261.369 2.869 20 30 CFEDHN C=CCN(C(=O)Nc1cccc2c1CCNC2)C1CC1 ZINC000667744854 541304439 /nfs/dbraw/zinc/30/44/39/541304439.db2.gz QPHNHFBDDXNRSM-UHFFFAOYSA-N 0 3 271.364 2.515 20 30 CFEDHN C=CC[C@H](C(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000275396799 193021379 /nfs/dbraw/zinc/02/13/79/193021379.db2.gz XZVNWDHRGYIBTB-KRWDZBQOSA-N 0 3 286.419 2.901 20 30 CFEDHN C#CCC(C)(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275609148 193085176 /nfs/dbraw/zinc/08/51/76/193085176.db2.gz HZBCHCIRDHOQNX-UHFFFAOYSA-N 0 3 272.392 2.779 20 30 CFEDHN CCC1(O)CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275640671 193093142 /nfs/dbraw/zinc/09/31/42/193093142.db2.gz OJIQWUGRTOFAEL-CYBMUJFWSA-N 0 3 258.365 2.856 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(C2CCC2)CC1 ZINC000275592840 193081158 /nfs/dbraw/zinc/08/11/58/193081158.db2.gz KBEGGHHPYUQIDC-AWEZNQCLSA-N 0 3 269.392 2.789 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCC(CCC(N)=O)CC1 ZINC000275745441 193119078 /nfs/dbraw/zinc/11/90/78/193119078.db2.gz WCCRPLQNISXDOQ-CYBMUJFWSA-N 0 3 285.391 2.597 20 30 CFEDHN C[C@@H]1C[C@H](C)CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000443644663 241083037 /nfs/dbraw/zinc/08/30/37/241083037.db2.gz YYSCPQXYNNYCHL-ZIAGYGMSSA-N 0 3 285.391 2.865 20 30 CFEDHN Cc1cccc(C[C@@H](CO)NCc2ccc(C#N)c(C)c2)c1 ZINC000443992948 241104759 /nfs/dbraw/zinc/10/47/59/241104759.db2.gz YUJURGKXIXAXAY-IBGZPJMESA-N 0 3 294.398 2.868 20 30 CFEDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc(F)c(C#N)c1 ZINC000443318361 241051180 /nfs/dbraw/zinc/05/11/80/241051180.db2.gz JPFPMDIJXNFNKI-XHBSWPGZSA-N 0 3 276.355 2.679 20 30 CFEDHN CN(Cc1ccc(C#N)s1)[C@H](CO)CC(C)(C)C ZINC000449582089 242048059 /nfs/dbraw/zinc/04/80/59/242048059.db2.gz DNHOCQSSYBLDGW-NSHDSACASA-N 0 3 266.410 2.849 20 30 CFEDHN CN(Cc1cccc(C#N)c1)[C@@H](CO)CC(C)(C)C ZINC000449593084 242055453 /nfs/dbraw/zinc/05/54/53/242055453.db2.gz ZIWNHMOUMIGSKM-OAHLLOKOSA-N 0 3 260.381 2.787 20 30 CFEDHN N#Cc1ccc2ncc(CN3C[C@@H](C4CC4)[C@@H]3C3CC3)n2c1 ZINC000449533312 242008920 /nfs/dbraw/zinc/00/89/20/242008920.db2.gz FHPXMGBEPKYRHY-WMZOPIPTSA-N 0 3 292.386 2.826 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(F)c1 ZINC000449551077 242021452 /nfs/dbraw/zinc/02/14/52/242021452.db2.gz FQAGLTUXMQEZHE-YCPHGPKFSA-N 0 3 288.366 2.680 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449551697 242021879 /nfs/dbraw/zinc/02/18/79/242021879.db2.gz HBZQHKSLELZUNK-COXVUDFISA-N 0 3 270.376 2.541 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449551698 242022327 /nfs/dbraw/zinc/02/23/27/242022327.db2.gz HBZQHKSLELZUNK-KBRIMQKVSA-N 0 3 270.376 2.541 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000275964187 193174400 /nfs/dbraw/zinc/17/44/00/193174400.db2.gz BUHWBCPEGIPVRX-FUHWJXTLSA-N 0 3 286.419 2.979 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000451973665 243002223 /nfs/dbraw/zinc/00/22/23/243002223.db2.gz XOIVMLFZRHBJJB-LSDHHAIUSA-N 0 3 299.418 2.685 20 30 CFEDHN C=C(C)COCCNCc1nccc2ccccc21 ZINC000675552983 541666613 /nfs/dbraw/zinc/66/66/13/541666613.db2.gz ZDHTXXQTBXDXNG-UHFFFAOYSA-N 0 3 256.349 2.917 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@H]1CCCC[C@@H]1O ZINC000574330422 335011059 /nfs/dbraw/zinc/01/10/59/335011059.db2.gz VPCUARNUPFIBAE-ZBFHGGJFSA-N 0 3 263.381 2.861 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000276079311 193207594 /nfs/dbraw/zinc/20/75/94/193207594.db2.gz AULFGHFKMJWBOP-LBPRGKRZSA-N 0 3 278.421 2.529 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cc1ccco1)C(C)C ZINC000268781817 541760439 /nfs/dbraw/zinc/76/04/39/541760439.db2.gz COMWMKFCDUZLEP-INIZCTEOSA-N 0 3 290.407 2.637 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)Cc1ccco1)C(C)C ZINC000268781819 541760627 /nfs/dbraw/zinc/76/06/27/541760627.db2.gz COMWMKFCDUZLEP-MRXNPFEDSA-N 0 3 290.407 2.637 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000276084083 193209180 /nfs/dbraw/zinc/20/91/80/193209180.db2.gz BEAYMMQSCNKAAU-GFCCVEGCSA-N 0 3 280.799 2.853 20 30 CFEDHN C#CC[C@H](NC[C@@H](O)CC(F)(F)F)c1ccccc1 ZINC000276295731 193275077 /nfs/dbraw/zinc/27/50/77/193275077.db2.gz WIMMILBSKDFOEB-STQMWFEESA-N 0 3 271.282 2.654 20 30 CFEDHN C=CCCN(C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000276332825 193291173 /nfs/dbraw/zinc/29/11/73/193291173.db2.gz BLKUNCORMQLUJP-UHFFFAOYSA-N 0 3 274.364 2.726 20 30 CFEDHN C=CCN(CCc1ccnn1C)Cc1cccc(C#N)c1 ZINC000276333049 193291563 /nfs/dbraw/zinc/29/15/63/193291563.db2.gz RKFBIWXZKSMEEK-UHFFFAOYSA-N 0 3 280.375 2.522 20 30 CFEDHN CN(CCn1cc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000459305602 245130025 /nfs/dbraw/zinc/13/00/25/245130025.db2.gz ZVRMKXWPMBOGKX-UHFFFAOYSA-N 0 3 274.755 2.540 20 30 CFEDHN CCN1CCN(CC#Cc2ccccc2Cl)C[C@H]1C ZINC000677191445 541834063 /nfs/dbraw/zinc/83/40/63/541834063.db2.gz GQAVRZJIIVARCG-CQSZACIVSA-N 0 3 276.811 2.718 20 30 CFEDHN COCC#CCN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000677477373 541864399 /nfs/dbraw/zinc/86/43/99/541864399.db2.gz FBYVPVIVJMDFIJ-OAHLLOKOSA-N 0 3 257.377 2.937 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000677479808 541865859 /nfs/dbraw/zinc/86/58/59/541865859.db2.gz RTGSQVMPXSZOIX-JKSUJKDBSA-N 0 3 299.418 2.842 20 30 CFEDHN CCO[C@H]1C[C@H](N(C)CC#CCOC)C12CCCCC2 ZINC000677480907 541865877 /nfs/dbraw/zinc/86/58/77/541865877.db2.gz XHBVJRUADTXOMQ-HOTGVXAUSA-N 0 3 279.424 2.696 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000677480201 541865889 /nfs/dbraw/zinc/86/58/89/541865889.db2.gz VEKRTFUMJXODOJ-DZGCQCFKSA-N 0 3 286.375 2.944 20 30 CFEDHN CC[C@@H](CC#N)NC1CCN(Cc2ccccc2)CC1 ZINC000036679451 372585771 /nfs/dbraw/zinc/58/57/71/372585771.db2.gz GYRWNUWIRCIWKO-INIZCTEOSA-N 0 3 271.408 2.933 20 30 CFEDHN CCCN(CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037095040 372649540 /nfs/dbraw/zinc/64/95/40/372649540.db2.gz GYXCVENLQZUKNY-GFCCVEGCSA-N 0 3 259.353 2.617 20 30 CFEDHN CN1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000037333988 372665139 /nfs/dbraw/zinc/66/51/39/372665139.db2.gz NQXOJVCGXFETGE-UHFFFAOYSA-N 0 3 283.297 2.719 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1F ZINC000451699937 383685701 /nfs/dbraw/zinc/68/57/01/383685701.db2.gz MLALMQXBEWNVAE-XPKDYRNWSA-N 0 3 288.366 2.680 20 30 CFEDHN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000041520373 372845262 /nfs/dbraw/zinc/84/52/62/372845262.db2.gz TYCNKDUPRFDRFS-GFCCVEGCSA-N 0 3 272.329 2.950 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)CC1 ZINC000042287182 372899820 /nfs/dbraw/zinc/89/98/20/372899820.db2.gz CTSGJPHAOORKPZ-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN N#Cc1ccc(CN(CCO)C2CCCCC2)c(F)c1 ZINC000042505610 372928348 /nfs/dbraw/zinc/92/83/48/372928348.db2.gz ZTEXHFRHZNCFLU-UHFFFAOYSA-N 0 3 276.355 2.824 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000044824279 373009362 /nfs/dbraw/zinc/00/93/62/373009362.db2.gz SEOJRLJGEZCQGY-VIFPVBQESA-N 0 3 281.153 2.567 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000044812389 373009632 /nfs/dbraw/zinc/00/96/32/373009632.db2.gz UCHKNIGZJSDZRV-MRVPVSSYSA-N 0 3 271.147 2.812 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC(C)C)C1CC1 ZINC000051735046 373406777 /nfs/dbraw/zinc/40/67/77/373406777.db2.gz USQWRHRSDVHLDD-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN CCC(CC)CN(CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000051824522 373413429 /nfs/dbraw/zinc/41/34/29/373413429.db2.gz IENRSARWFUMSRG-INIZCTEOSA-N 0 3 281.444 2.799 20 30 CFEDHN CN(C)Cc1cccc(NC(=O)c2sccc2C#N)c1 ZINC000052030513 373431065 /nfs/dbraw/zinc/43/10/65/373431065.db2.gz KUZFGLQGPYTHBO-UHFFFAOYSA-N 0 3 285.372 2.934 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1cccc(Br)c1 ZINC000289638789 197430042 /nfs/dbraw/zinc/43/00/42/197430042.db2.gz FPTGGEGOJDSHJV-CABZTGNLSA-N 0 3 270.170 2.647 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)NC1CCN(C)CC1 ZINC000053963081 373490146 /nfs/dbraw/zinc/49/01/46/373490146.db2.gz CFGYHOBABXPWIY-UHFFFAOYSA-N 0 3 293.436 2.540 20 30 CFEDHN CCOC(=O)CCN(Cc1ccc(C#N)cc1)C(C)C ZINC000058397135 373654609 /nfs/dbraw/zinc/65/46/09/373654609.db2.gz IVYASXPZUHEVOE-UHFFFAOYSA-N 0 3 274.364 2.722 20 30 CFEDHN CCCN(CCC)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000057757717 373610277 /nfs/dbraw/zinc/61/02/77/373610277.db2.gz OSAZWIMCZQIFLQ-INIZCTEOSA-N 0 3 283.375 2.889 20 30 CFEDHN C=CCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000060908708 373708834 /nfs/dbraw/zinc/70/88/34/373708834.db2.gz SEOMJZWCVADYQL-OAHLLOKOSA-N 0 3 275.396 2.555 20 30 CFEDHN C#C[C@H](C)N[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000289575979 197408617 /nfs/dbraw/zinc/40/86/17/197408617.db2.gz SWMZHKGPLCIIPV-QWHCGFSZSA-N 0 3 292.810 2.688 20 30 CFEDHN C[C@H](c1ccccc1F)N(C)CCC(=O)N(C)CCC#N ZINC000062014270 373743444 /nfs/dbraw/zinc/74/34/44/373743444.db2.gz AOIJPMNAPRQAGU-CYBMUJFWSA-N 0 3 291.370 2.581 20 30 CFEDHN N#CCCCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831451 373956157 /nfs/dbraw/zinc/95/61/57/373956157.db2.gz GMUVWSIHCMATHT-UHFFFAOYSA-N 0 3 295.390 2.955 20 30 CFEDHN C#CCN(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000066422710 373930126 /nfs/dbraw/zinc/93/01/26/373930126.db2.gz XVBHRPRODKRHKV-UHFFFAOYSA-N 0 3 285.366 2.724 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)cn1)c1ccccc1 ZINC000071817768 374227409 /nfs/dbraw/zinc/22/74/09/374227409.db2.gz YCNJDECIPYDNGN-OAHLLOKOSA-N 0 3 266.348 2.668 20 30 CFEDHN CN1CCC(Nc2cc(C#N)c3ccccc3n2)CC1 ZINC000070543237 374191084 /nfs/dbraw/zinc/19/10/84/374191084.db2.gz MDWFNQQUNJFTMT-UHFFFAOYSA-N 0 3 266.348 2.613 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCC[C@@H](C)C1 ZINC000073618657 374359417 /nfs/dbraw/zinc/35/94/17/374359417.db2.gz ZOBUYPMGQQHLGA-CABCVRRESA-N 0 3 264.413 2.698 20 30 CFEDHN C[C@H](C1CC1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000073800233 374386182 /nfs/dbraw/zinc/38/61/82/374386182.db2.gz ZCMRGZDDGAVRTN-CQSZACIVSA-N 0 3 285.391 2.664 20 30 CFEDHN Cc1ncsc1CCN(C)Cc1ccc(C#N)cc1 ZINC000074348901 374416403 /nfs/dbraw/zinc/41/64/03/374416403.db2.gz NZSGQCPXUYDJBG-UHFFFAOYSA-N 0 3 271.389 2.998 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1ccc(CC)s1 ZINC000076735057 374556400 /nfs/dbraw/zinc/55/64/00/374556400.db2.gz KSIYOAYTMQHFDN-UHFFFAOYSA-N 0 3 280.437 2.825 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1ccccc1C ZINC000077204322 374559177 /nfs/dbraw/zinc/55/91/77/374559177.db2.gz GDDPLXHYXGABTD-KRWDZBQOSA-N 0 3 299.418 2.894 20 30 CFEDHN C=CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000079939196 374635436 /nfs/dbraw/zinc/63/54/36/374635436.db2.gz MDSZNUUGURKJFF-GOEBONIOSA-N 0 3 287.407 2.525 20 30 CFEDHN CC[C@H](C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000086507043 374804167 /nfs/dbraw/zinc/80/41/67/374804167.db2.gz LKQGHIKMZZKSJU-LBPRGKRZSA-N 0 3 261.344 2.618 20 30 CFEDHN O[C@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccc(Cl)cc1)C2 ZINC000640078271 383703731 /nfs/dbraw/zinc/70/37/31/383703731.db2.gz OODSLKXUOWNEKJ-KBMXLJTQSA-N 0 3 275.779 2.537 20 30 CFEDHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCCC#N ZINC000089140625 374873105 /nfs/dbraw/zinc/87/31/05/374873105.db2.gz QETHFMGBRQJQDN-CHWSQXEVSA-N 0 3 281.400 2.573 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H](OC)C2)cc1 ZINC000091772216 375060561 /nfs/dbraw/zinc/06/05/61/375060561.db2.gz QWSSDMCOOBAPQN-INIZCTEOSA-N 0 3 261.365 2.862 20 30 CFEDHN COCCCN(C)Cc1cccc(OCCCC#N)c1 ZINC000092537103 375120391 /nfs/dbraw/zinc/12/03/91/375120391.db2.gz XNTORQXRBYPUNP-UHFFFAOYSA-N 0 3 276.380 2.837 20 30 CFEDHN N#Cc1ccc2ncc(CN3C[C@@H]4CCCC[C@@H]4C3)n2c1 ZINC000093441939 375238242 /nfs/dbraw/zinc/23/82/42/375238242.db2.gz XUOMIBFLVCBCHS-GASCZTMLSA-N 0 3 280.375 2.828 20 30 CFEDHN COc1ccccc1CCN(C)Cc1ccc(C#N)o1 ZINC000093105156 375189953 /nfs/dbraw/zinc/18/99/53/375189953.db2.gz RKFOTSBCXDDFBT-UHFFFAOYSA-N 0 3 270.332 2.834 20 30 CFEDHN CCCCN(CCOC)Cc1cc(C#N)cs1 ZINC000093323089 375211993 /nfs/dbraw/zinc/21/19/93/375211993.db2.gz DKKBTAVRTYANDE-UHFFFAOYSA-N 0 3 252.383 2.868 20 30 CFEDHN N#Cc1csc(CN[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000093492099 375254353 /nfs/dbraw/zinc/25/43/53/375254353.db2.gz NZSRXCJNWOCOJW-INIZCTEOSA-N 0 3 297.427 2.984 20 30 CFEDHN C=CC1CCN(Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093359210 375220606 /nfs/dbraw/zinc/22/06/06/375220606.db2.gz WTDGIRLPLYHPLI-UHFFFAOYSA-N 0 3 282.391 2.880 20 30 CFEDHN CC(C)(CCC#N)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000093691949 375300696 /nfs/dbraw/zinc/30/06/96/375300696.db2.gz UUUPDPHHXRZEAA-OAHLLOKOSA-N 0 3 273.380 2.865 20 30 CFEDHN C=CCCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000102233831 375668313 /nfs/dbraw/zinc/66/83/13/375668313.db2.gz BDSJNOQKXKDZBQ-UHFFFAOYSA-N 0 3 262.353 2.532 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N(CCC#N)CC2CC2)cc1 ZINC000103437637 375745448 /nfs/dbraw/zinc/74/54/48/375745448.db2.gz LUEMJQNNPFFMDP-UHFFFAOYSA-N 0 3 285.391 2.514 20 30 CFEDHN N#Cc1c(Cl)cccc1N1CC[C@@H](N2CCCC2)C1 ZINC000104176270 375771202 /nfs/dbraw/zinc/77/12/02/375771202.db2.gz AKZSCAHAFGYXRF-GFCCVEGCSA-N 0 3 275.783 2.886 20 30 CFEDHN CC(C)[C@H](C(=O)NCc1cccc(C#N)c1)N1CCCCC1 ZINC000104241570 375776653 /nfs/dbraw/zinc/77/66/53/375776653.db2.gz GCOGIUVTCAVLOQ-QGZVFWFLSA-N 0 3 299.418 2.685 20 30 CFEDHN C=C(C)[C@H](CO)N(C)CCCOc1cccc(Cl)c1 ZINC000678714770 542060335 /nfs/dbraw/zinc/06/03/35/542060335.db2.gz OOOAQAIABNQMGX-HNNXBMFYSA-N 0 3 283.799 2.978 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000678742394 542063722 /nfs/dbraw/zinc/06/37/22/542063722.db2.gz MHUAUPPWNIMQIY-ZWNOBZJWSA-N 0 3 271.307 2.876 20 30 CFEDHN COCC#CCN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000678743480 542064230 /nfs/dbraw/zinc/06/42/30/542064230.db2.gz VTIABYGLKOWROW-NSHDSACASA-N 0 3 269.291 2.588 20 30 CFEDHN CCC#C[C@H](C)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000678730650 542061879 /nfs/dbraw/zinc/06/18/79/542061879.db2.gz VFHNYRHTSXAZBM-UONOGXRCSA-N 0 3 268.364 2.720 20 30 CFEDHN CCOc1ccc([C@H](C)NCC#CCOC)cc1OCC ZINC000678723834 542062156 /nfs/dbraw/zinc/06/21/56/542062156.db2.gz AYAQMUFXSPKMRN-AWEZNQCLSA-N 0 3 291.391 2.784 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000678798041 542071255 /nfs/dbraw/zinc/07/12/55/542071255.db2.gz GSFZURQRAPXTMW-KGLIPLIRSA-N 0 3 268.364 2.720 20 30 CFEDHN Cc1ccc(O)c(CN[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000112716503 375954915 /nfs/dbraw/zinc/95/49/15/375954915.db2.gz WOIGNIHZTFCGAJ-LBPRGKRZSA-N 0 3 267.332 2.818 20 30 CFEDHN O[C@@H]1CCN(CC#Cc2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000640100064 383710784 /nfs/dbraw/zinc/71/07/84/383710784.db2.gz LKBSEWDSJHQYSR-KZNAEPCWSA-N 0 3 269.388 2.664 20 30 CFEDHN C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000114795144 376089991 /nfs/dbraw/zinc/08/99/91/376089991.db2.gz CATFLUBKBVVBFB-TUAOUCFPSA-N 0 3 289.354 2.897 20 30 CFEDHN C=CC[C@H](C)NC(=O)NCCCN(C)Cc1ccccc1 ZINC000116937389 376218002 /nfs/dbraw/zinc/21/80/02/376218002.db2.gz FFRSTMGAKZZRSN-HNNXBMFYSA-N 0 3 289.423 2.772 20 30 CFEDHN C=C(C)CNCc1ccc(Oc2cnccn2)cc1 ZINC000119646566 376445719 /nfs/dbraw/zinc/44/57/19/376445719.db2.gz FIHAHQPWWVYDDO-UHFFFAOYSA-N 0 3 255.321 2.935 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C ZINC000120653901 376660850 /nfs/dbraw/zinc/66/08/50/376660850.db2.gz SIYQEEBTOAOTJQ-HZSPNIEDSA-N 0 3 252.402 2.672 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)N[C@H](CC)CN1CCCC1 ZINC000678913283 542092123 /nfs/dbraw/zinc/09/21/23/542092123.db2.gz PWPUYPRCHPYKFF-HUUCEWRRSA-N 0 3 281.444 2.905 20 30 CFEDHN OCC1(NCC#Cc2cccc(Cl)c2)CCCCC1 ZINC000678972467 542103608 /nfs/dbraw/zinc/10/36/08/542103608.db2.gz KHYRWJCSCOADCX-UHFFFAOYSA-N 0 3 277.795 2.976 20 30 CFEDHN OCC1(NCC#Cc2ccc(Cl)cc2)CCCCC1 ZINC000678971961 542103820 /nfs/dbraw/zinc/10/38/20/542103820.db2.gz CLMXPXNBXCZXDC-UHFFFAOYSA-N 0 3 277.795 2.976 20 30 CFEDHN C=CCC[C@@H](O)CN(CC)Cc1cccc(F)c1 ZINC000121322123 376806236 /nfs/dbraw/zinc/80/62/36/376806236.db2.gz WAIBOURUGMLHBS-OAHLLOKOSA-N 0 3 251.345 2.975 20 30 CFEDHN CCOC[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000121656625 376877603 /nfs/dbraw/zinc/87/76/03/376877603.db2.gz SGTDGBWVNMBHJX-ZDUSSCGKSA-N 0 3 262.328 2.556 20 30 CFEDHN C=C(C)CNCc1ccc(OC)c(OC(F)F)c1 ZINC000122565464 376931684 /nfs/dbraw/zinc/93/16/84/376931684.db2.gz LFKRFTVXMUACCY-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN Cn1ccnc1C[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000123620309 376962408 /nfs/dbraw/zinc/96/24/08/376962408.db2.gz LDACZBMNIMZSPS-QGZVFWFLSA-N 0 3 294.402 2.746 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000123865992 376989656 /nfs/dbraw/zinc/98/96/56/376989656.db2.gz HUEGGXPJIXVPCX-WBVHZDCISA-N 0 3 257.377 2.664 20 30 CFEDHN C=CCN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000124530389 377060189 /nfs/dbraw/zinc/06/01/89/377060189.db2.gz FXYORYDIAHYBBX-ZDUSSCGKSA-N 0 3 296.436 2.554 20 30 CFEDHN CC[C@](C)(C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000126989587 377258488 /nfs/dbraw/zinc/25/84/88/377258488.db2.gz RGBNAIFTOKFWHD-SJLPKXTDSA-N 0 3 299.418 2.707 20 30 CFEDHN C=CCOc1cccc(CN2CCC[C@](C)(O)C2)c1 ZINC000129460007 377430415 /nfs/dbraw/zinc/43/04/15/377430415.db2.gz HDYABZWJILOYCL-INIZCTEOSA-N 0 3 261.365 2.598 20 30 CFEDHN C=C[C@@H](CC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000129253340 377404441 /nfs/dbraw/zinc/40/44/41/377404441.db2.gz WENCGKHFWBQNKC-INIZCTEOSA-N 0 3 286.419 2.901 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000679576930 542211448 /nfs/dbraw/zinc/21/14/48/542211448.db2.gz YYVHKAMOSYPZPL-GFCCVEGCSA-N 0 3 292.379 2.507 20 30 CFEDHN CCC1(CC)[C@@H](NCc2ccc(C#N)o2)C[C@@H]1OC ZINC000131419173 377709327 /nfs/dbraw/zinc/70/93/27/377709327.db2.gz WCBHLSCCEODASB-KBPBESRZSA-N 0 3 262.353 2.835 20 30 CFEDHN CCCCN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000131834008 377765029 /nfs/dbraw/zinc/76/50/29/377765029.db2.gz DRLGMFZJKOFOFM-AWEZNQCLSA-N 0 3 279.428 2.840 20 30 CFEDHN C=CCCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000132428617 377837354 /nfs/dbraw/zinc/83/73/54/377837354.db2.gz YSEAPCQFWAJRPE-UHFFFAOYSA-N 0 3 294.826 2.913 20 30 CFEDHN C[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CN1C1CC1 ZINC000133557764 377939740 /nfs/dbraw/zinc/93/97/40/377939740.db2.gz AAEQJJXSFKQDJJ-UWVGGRQHSA-N 0 3 276.771 2.644 20 30 CFEDHN CN1CCC[C@@H](CNc2c(F)cc(C#N)cc2F)C1 ZINC000133606337 377943749 /nfs/dbraw/zinc/94/37/49/377943749.db2.gz DEIVBMAZNWMTNK-JTQLQIEISA-N 0 3 265.307 2.590 20 30 CFEDHN N#Cc1cnc(N[C@H](CN2CCCC2)c2ccccc2)cn1 ZINC000133091218 377902153 /nfs/dbraw/zinc/90/21/53/377902153.db2.gz FDXDGOTZCXQPSF-MRXNPFEDSA-N 0 3 293.374 2.597 20 30 CFEDHN CC(C)(C#N)CCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000135541943 378142968 /nfs/dbraw/zinc/14/29/68/378142968.db2.gz MWDDDBQGQAJZRD-QWHCGFSZSA-N 0 3 268.426 2.523 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NCCCN(C)Cc1ccccc1 ZINC000136169445 378185093 /nfs/dbraw/zinc/18/50/93/378185093.db2.gz DJYOLOTUEKGETI-KRWDZBQOSA-N 0 3 287.407 2.565 20 30 CFEDHN C#Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1 ZINC000136744638 378209702 /nfs/dbraw/zinc/20/97/02/378209702.db2.gz URPMZRJFVBROSC-UHFFFAOYSA-N 0 3 295.386 2.536 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3O2)s1 ZINC000135675260 378155927 /nfs/dbraw/zinc/15/59/27/378155927.db2.gz QTUQBWLGIGASSH-LBPRGKRZSA-N 0 3 270.357 2.713 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2Cc3ccccc3O2)s1 ZINC000135675225 378156392 /nfs/dbraw/zinc/15/63/92/378156392.db2.gz QTUQBWLGIGASSH-GFCCVEGCSA-N 0 3 270.357 2.713 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000148078644 378254853 /nfs/dbraw/zinc/25/48/53/378254853.db2.gz CUDDOGQQVBTQJA-YUELXQCFSA-N 0 3 283.375 2.617 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000153061215 378472173 /nfs/dbraw/zinc/47/21/73/378472173.db2.gz FQNPZJVIAVVDLK-HZPDHXFCSA-N 0 3 256.349 2.559 20 30 CFEDHN O=C(NCC1(CCO)CCC1)[C@@H]1CCCN1C1CCCC1 ZINC000328959008 378443934 /nfs/dbraw/zinc/44/39/34/378443934.db2.gz PTTNQFDHEOHQAY-HNNXBMFYSA-N 0 3 294.439 2.903 20 30 CFEDHN C=CCOc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000152931323 378460644 /nfs/dbraw/zinc/46/06/44/378460644.db2.gz RKIPCIGRUSNNHR-CYBMUJFWSA-N 0 3 262.353 2.563 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCOC2(CCC2)C1 ZINC000328788952 378425849 /nfs/dbraw/zinc/42/58/49/378425849.db2.gz POTSBUPAHNVRCT-MRXNPFEDSA-N 0 3 298.386 2.540 20 30 CFEDHN O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000328831657 378430304 /nfs/dbraw/zinc/43/03/04/378430304.db2.gz UZICTUVOBXPMPC-DZKIICNBSA-N 0 3 294.439 2.901 20 30 CFEDHN C[C@@H]1CCCN(CCNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328857417 378431947 /nfs/dbraw/zinc/43/19/47/378431947.db2.gz KPTXATWLDLUVNB-ZIAGYGMSSA-N 0 3 295.427 2.822 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000264342433 383729073 /nfs/dbraw/zinc/72/90/73/383729073.db2.gz FDKNBXWHHKBBNO-INIZCTEOSA-N 0 3 298.430 2.826 20 30 CFEDHN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329644028 378474517 /nfs/dbraw/zinc/47/45/17/378474517.db2.gz IZPMAFGQYSKBPM-NMHRLERGSA-N 0 3 294.439 2.613 20 30 CFEDHN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(CC)C2)CC(=O)N1 ZINC000329682214 378480907 /nfs/dbraw/zinc/48/09/07/378480907.db2.gz SIVOCPTVCACSAO-YNEHKIRRSA-N 0 3 281.400 2.572 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3ncccc23)CCN1C ZINC000329803161 378498144 /nfs/dbraw/zinc/49/81/44/378498144.db2.gz JQEKUTFHJPMBNW-YPMHNXCESA-N 0 3 286.379 2.545 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CC(C)C ZINC000153767605 378509479 /nfs/dbraw/zinc/50/94/79/378509479.db2.gz AFLZTWPLQPHXTI-CQSZACIVSA-N 0 3 254.418 2.777 20 30 CFEDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(=O)[n-]1 ZINC000329958428 378516922 /nfs/dbraw/zinc/51/69/22/378516922.db2.gz QQKNYBNKKUKATQ-OUAUKWLOSA-N 0 3 297.424 2.520 20 30 CFEDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1csc(=O)[n-]1 ZINC000329958428 378516932 /nfs/dbraw/zinc/51/69/32/378516932.db2.gz QQKNYBNKKUKATQ-OUAUKWLOSA-N 0 3 297.424 2.520 20 30 CFEDHN CCC(CC)CN(CC)[C@H](C)C(=O)N(C)CCC#N ZINC000153867065 378518011 /nfs/dbraw/zinc/51/80/11/378518011.db2.gz MQXOFHPXYCUCSD-CYBMUJFWSA-N 0 3 267.417 2.505 20 30 CFEDHN CC(C)CN1CCCC[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000154112901 378539688 /nfs/dbraw/zinc/53/96/88/378539688.db2.gz JZVGSIAJPOARNJ-OAHLLOKOSA-N 0 3 291.439 2.697 20 30 CFEDHN COc1cc(C(=O)NCCN2CCCC[C@@H]2C)cc(C)n1 ZINC000330389732 378543946 /nfs/dbraw/zinc/54/39/46/378543946.db2.gz YFRKEZFKRULITP-ZDUSSCGKSA-N 0 3 291.395 2.578 20 30 CFEDHN CC(C)c1ccc([C@H](NCC(=O)NCC#N)C(C)C)cc1 ZINC000154349014 378560851 /nfs/dbraw/zinc/56/08/51/378560851.db2.gz WUPRFSBSSZEFSK-QGZVFWFLSA-N 0 3 287.407 2.736 20 30 CFEDHN Cc1nc(C(C#N)C(=O)Nc2ccc(C#N)cc2)sc1C ZINC000155650981 378630795 /nfs/dbraw/zinc/63/07/95/378630795.db2.gz ZEGYGAWXJMOQKP-ZDUSSCGKSA-N 0 3 296.355 2.878 20 30 CFEDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000331121898 378635412 /nfs/dbraw/zinc/63/54/12/378635412.db2.gz PUPJHQUJDUQLEM-KRWDZBQOSA-N 0 3 299.418 2.605 20 30 CFEDHN CC[C@@H]1C[C@@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000330948933 378603024 /nfs/dbraw/zinc/60/30/24/378603024.db2.gz NECDAKYTZXPOBR-IUODEOHRSA-N 0 3 271.364 2.617 20 30 CFEDHN CC(C)C(=O)N[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000330992279 378611799 /nfs/dbraw/zinc/61/17/99/378611799.db2.gz KVUAPKXMFMOQRU-CQSZACIVSA-N 0 3 279.428 2.553 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1CCCCCC1 ZINC000155142907 378613267 /nfs/dbraw/zinc/61/32/67/378613267.db2.gz CHAJKOFMMJEUMB-AWEZNQCLSA-N 0 3 252.402 2.676 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)c1ccc(C#N)cc1F ZINC000331148708 378641084 /nfs/dbraw/zinc/64/10/84/378641084.db2.gz AADZETRCIHZODO-GHJWDPDVSA-N 0 3 276.355 2.899 20 30 CFEDHN CCOc1nccc(C)c1C(=O)NC1CCN(CC)CC1 ZINC000331215019 378652330 /nfs/dbraw/zinc/65/23/30/378652330.db2.gz NORAESLNIXUFEF-UHFFFAOYSA-N 0 3 291.395 2.578 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)cn1 ZINC000160229799 378757240 /nfs/dbraw/zinc/75/72/40/378757240.db2.gz FWLUZVBSEZGUBU-PBHICJAKSA-N 0 3 292.386 2.886 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159577081 378717019 /nfs/dbraw/zinc/71/70/19/378717019.db2.gz LKILOGYPEQWLGK-MJBXVCDLSA-N 0 3 274.389 2.667 20 30 CFEDHN C[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1ccc(C#N)cc1F ZINC000332650416 378783928 /nfs/dbraw/zinc/78/39/28/378783928.db2.gz IFRTVUXJURCYOA-MFKMUULPSA-N 0 3 284.338 2.629 20 30 CFEDHN C=CCC[C@H](NCCCN1CCN(C)CC1)c1ccco1 ZINC000278487354 194007561 /nfs/dbraw/zinc/00/75/61/194007561.db2.gz BEZCAKLQAYZMAV-INIZCTEOSA-N 0 3 291.439 2.514 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000334140955 378897251 /nfs/dbraw/zinc/89/72/51/378897251.db2.gz ISTLVNVUNLYWPF-CMPLNLGQSA-N 0 3 262.740 2.816 20 30 CFEDHN CC(C)(C)CN(CCCO)Cc1ccc(C#N)cc1F ZINC000264376787 383732921 /nfs/dbraw/zinc/73/29/21/383732921.db2.gz BLIOAOQXVDBHJJ-UHFFFAOYSA-N 0 3 278.371 2.928 20 30 CFEDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000165718504 379040886 /nfs/dbraw/zinc/04/08/86/379040886.db2.gz KJSGBLDTOFBQGS-GFCCVEGCSA-N 0 3 288.351 2.610 20 30 CFEDHN C#C[C@H](C)NCc1ccc(OC)c(Br)c1 ZINC000166346000 379052170 /nfs/dbraw/zinc/05/21/70/379052170.db2.gz VCFNNSVLRWDKFD-VIFPVBQESA-N 0 3 268.154 2.569 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CCCCC[C@H]2C)CC1 ZINC000335315379 379071701 /nfs/dbraw/zinc/07/17/01/379071701.db2.gz XQYQDKBGPQSFDB-CQSZACIVSA-N 0 3 279.428 2.611 20 30 CFEDHN CC[C@]1(C)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000335324874 379090765 /nfs/dbraw/zinc/09/07/65/379090765.db2.gz AMJVRPJFNIPALJ-MRXNPFEDSA-N 0 3 268.364 2.828 20 30 CFEDHN N#Cc1ccccc1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335366565 379169518 /nfs/dbraw/zinc/16/95/18/379169518.db2.gz CEIUTXPPHOBZGP-SJORKVTESA-N 0 3 270.376 2.949 20 30 CFEDHN C=CCSCCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000278832969 194175105 /nfs/dbraw/zinc/17/51/05/194175105.db2.gz UEALXYVEBNSILC-JTQLQIEISA-N 0 3 269.366 2.636 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000334402081 379237208 /nfs/dbraw/zinc/23/72/08/379237208.db2.gz ZKFTZMQYZQDYAL-CJNGLKHVSA-N 0 3 258.365 2.866 20 30 CFEDHN N#Cc1cccc(CNCCc2ccccc2O)c1 ZINC000171135427 379239731 /nfs/dbraw/zinc/23/97/31/379239731.db2.gz PMHKPNFSTBLRBD-UHFFFAOYSA-N 0 3 252.317 2.596 20 30 CFEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(C)C#N ZINC000334414113 379257195 /nfs/dbraw/zinc/25/71/95/379257195.db2.gz MVMYPOKFKUFPGY-JOYOIKCWSA-N 0 3 260.337 2.877 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC2(C)C)CC1 ZINC000171606980 379352501 /nfs/dbraw/zinc/35/25/01/379352501.db2.gz ZVEIWRIUTLJVEG-UHFFFAOYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000171637281 379360099 /nfs/dbraw/zinc/36/00/99/379360099.db2.gz CJWGNEDNUZHTDR-UHFFFAOYSA-N 0 3 298.390 2.639 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)N2CCC(CC#N)CC2)c1 ZINC000335526391 379453530 /nfs/dbraw/zinc/45/35/30/379453530.db2.gz GQQLNHWHMWFCQK-UHFFFAOYSA-N 0 3 286.379 2.611 20 30 CFEDHN Cn1cc(CN[C@@H]2CC[C@H](C#N)C2)c(-c2cccs2)n1 ZINC000571909442 383738434 /nfs/dbraw/zinc/73/84/34/383738434.db2.gz LTRFANLXLZQIBX-WCQYABFASA-N 0 3 286.404 2.930 20 30 CFEDHN N#Cc1ccc(CN[C@H]2Cc3cccc(O)c3C2)cc1 ZINC000334640455 379686122 /nfs/dbraw/zinc/68/61/22/379686122.db2.gz OYSABERSZJVTNT-HNNXBMFYSA-N 0 3 264.328 2.521 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1C[C@@H]2[C@H](C1)C2(C)C ZINC000172967745 379678387 /nfs/dbraw/zinc/67/83/87/379678387.db2.gz DFUXDTKPPHWRAF-OKILXGFUSA-N 0 3 286.375 2.533 20 30 CFEDHN CN(C)Cc1cccc(CNCc2ccc(C#N)o2)c1 ZINC000174256836 379851965 /nfs/dbraw/zinc/85/19/65/379851965.db2.gz FRWUQHJGYXZZRW-UHFFFAOYSA-N 0 3 269.348 2.503 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCSC2)cc1F ZINC000334737183 379852539 /nfs/dbraw/zinc/85/25/39/379852539.db2.gz ASSJWASDCXRWDK-GFCCVEGCSA-N 0 3 250.342 2.683 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000335744039 379817855 /nfs/dbraw/zinc/81/78/55/379817855.db2.gz DJPNRZSJYWGVHS-ZBFHGGJFSA-N 0 3 274.339 2.698 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)Oc1ccc(F)cc1 ZINC000174603191 379917703 /nfs/dbraw/zinc/91/77/03/379917703.db2.gz NOXFEVJPIPCWDL-LLVKDONJSA-N 0 3 274.295 2.847 20 30 CFEDHN COc1ccc(CNC[C@@](C)(O)c2ccccc2)cc1C#N ZINC000174395599 379876377 /nfs/dbraw/zinc/87/63/77/379876377.db2.gz JZAGYUATNNXMHW-GOSISDBHSA-N 0 3 296.370 2.564 20 30 CFEDHN COc1cccc(OCCCNCc2ccc(C#N)o2)c1 ZINC000174416108 379881788 /nfs/dbraw/zinc/88/17/88/379881788.db2.gz XZYGCKVNVUAZNL-UHFFFAOYSA-N 0 3 286.331 2.719 20 30 CFEDHN C=CCC1(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)CCCC1 ZINC000335106580 379975414 /nfs/dbraw/zinc/97/54/14/379975414.db2.gz AHXZDPNLZHTFLX-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C[C@@H]1CSC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000335202100 380000368 /nfs/dbraw/zinc/00/03/68/380000368.db2.gz XJMQEPDCVHQGGN-NOZJJQNGSA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000335202101 380000396 /nfs/dbraw/zinc/00/03/96/380000396.db2.gz XJMQEPDCVHQGGN-RNCFNFMXSA-N 0 3 250.342 2.538 20 30 CFEDHN COc1ccc2c(c1)CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC000335860218 380010118 /nfs/dbraw/zinc/01/01/18/380010118.db2.gz RETLIQOSWSOPOP-UHFFFAOYSA-N 0 3 295.386 2.506 20 30 CFEDHN N#Cc1cccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335247067 380076400 /nfs/dbraw/zinc/07/64/00/380076400.db2.gz CSOCKKKLEDJAKG-QZTJIDSGSA-N 0 3 278.355 2.866 20 30 CFEDHN CC(C(=O)N1CCc2ccc(C#N)cc21)C(F)(F)F ZINC000335931330 380121206 /nfs/dbraw/zinc/12/12/06/380121206.db2.gz GFQGMORKIWRKAD-QMMMGPOBSA-N 0 3 268.238 2.646 20 30 CFEDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C1(C#N)CCCCC1 ZINC000335951919 380151664 /nfs/dbraw/zinc/15/16/64/380151664.db2.gz SGWNJUNPGTZNKY-LSDHHAIUSA-N 0 3 289.423 2.546 20 30 CFEDHN Cc1ccc(OC2CCN(C(=O)C(C)C#N)CC2)cc1C ZINC000335999390 380217383 /nfs/dbraw/zinc/21/73/83/380217383.db2.gz YAXSBYNEQIFGPF-CQSZACIVSA-N 0 3 286.375 2.833 20 30 CFEDHN N#Cc1ccc(CNCCOc2ccc(C#N)cc2)s1 ZINC000176976443 380288309 /nfs/dbraw/zinc/28/83/09/380288309.db2.gz WSMDEGMQJUUDFK-UHFFFAOYSA-N 0 3 283.356 2.660 20 30 CFEDHN CCN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176977990 380290493 /nfs/dbraw/zinc/29/04/93/380290493.db2.gz GWYCUWYRZAEQAO-UHFFFAOYSA-N 0 3 296.336 2.694 20 30 CFEDHN N#Cc1csc(CNC[C@@H](O)C2CCCCC2)c1 ZINC000177695585 380369139 /nfs/dbraw/zinc/36/91/39/380369139.db2.gz ZDANXLIUZTXAEL-CQSZACIVSA-N 0 3 264.394 2.651 20 30 CFEDHN CC(C)N(CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000264482015 383745866 /nfs/dbraw/zinc/74/58/66/383745866.db2.gz QHIYPYQUFHFJID-UHFFFAOYSA-N 0 3 299.418 2.827 20 30 CFEDHN C=C1CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000264483466 383746078 /nfs/dbraw/zinc/74/60/78/383746078.db2.gz QVDBUOAMWJKWDN-UHFFFAOYSA-N 0 3 262.328 2.806 20 30 CFEDHN C=C(C)CN1CCC(N[C@H](C)c2cc(C)on2)CC1 ZINC000279079619 194274517 /nfs/dbraw/zinc/27/45/17/194274517.db2.gz AGGIAASYVDCVPS-CYBMUJFWSA-N 0 3 263.385 2.674 20 30 CFEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CCN(C2CCC2)C1 ZINC000336517411 380397563 /nfs/dbraw/zinc/39/75/63/380397563.db2.gz IRNHUNDMEPXWQL-AWEZNQCLSA-N 0 3 297.402 2.505 20 30 CFEDHN N#Cc1cccc(CN2CCC[C@@H]([C@H]3CCOC3)C2)c1F ZINC000336615875 380554759 /nfs/dbraw/zinc/55/47/59/380554759.db2.gz JROMCMKIKQJQNG-ZBFHGGJFSA-N 0 3 288.366 2.946 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)CC1CCN(C)CC1 ZINC000432564342 383747619 /nfs/dbraw/zinc/74/76/19/383747619.db2.gz AIAWVZMQKWKPAQ-UHFFFAOYSA-N 0 3 281.444 2.572 20 30 CFEDHN CC(C)(C#N)CCN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336801319 380652587 /nfs/dbraw/zinc/65/25/87/380652587.db2.gz PQPOMVUFZUJSHC-UONOGXRCSA-N 0 3 282.453 2.913 20 30 CFEDHN C=CCCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000279175335 194318578 /nfs/dbraw/zinc/31/85/78/194318578.db2.gz HTDLCHGXNDUVBB-UHFFFAOYSA-N 0 3 272.392 2.978 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)cc(C)n2)CC1 ZINC000264509560 383749207 /nfs/dbraw/zinc/74/92/07/383749207.db2.gz SVMRBMHKHKWBKE-UHFFFAOYSA-N 0 3 260.385 2.546 20 30 CFEDHN CN(Cc1ccc(C#N)s1)C[C@@H]1CCCC[C@@H]1O ZINC000181092403 380737169 /nfs/dbraw/zinc/73/71/69/380737169.db2.gz GQXSDWSECZJQJK-FZMZJTMJSA-N 0 3 264.394 2.603 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287327884 380806170 /nfs/dbraw/zinc/80/61/70/380806170.db2.gz KIZAEPBKCGBHOE-RHSMWYFYSA-N 0 3 297.402 2.564 20 30 CFEDHN CCC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000347010754 380877363 /nfs/dbraw/zinc/87/73/63/380877363.db2.gz LVCSZYATORYURG-HNNXBMFYSA-N 0 3 285.391 2.680 20 30 CFEDHN C=CCN[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181633371 380849006 /nfs/dbraw/zinc/84/90/06/380849006.db2.gz LLGDWMFZXAZUHP-CQSZACIVSA-N 0 3 291.414 2.804 20 30 CFEDHN C[C@@H](NCCc1ccccn1)c1ccc(C#N)cc1F ZINC000358557897 380925703 /nfs/dbraw/zinc/92/57/03/380925703.db2.gz NWPNMBQQCZWERA-GFCCVEGCSA-N 0 3 269.323 2.986 20 30 CFEDHN C[C@@H]1CCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279238078 194346723 /nfs/dbraw/zinc/34/67/23/194346723.db2.gz JRUXDEQHYGINBN-RISCZKNCSA-N 0 3 282.347 2.886 20 30 CFEDHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1cccc(C#N)c1 ZINC000181764945 380890696 /nfs/dbraw/zinc/89/06/96/380890696.db2.gz UZNFKDJOESEXEP-HXPMCKFVSA-N 0 3 278.421 2.756 20 30 CFEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccccn1 ZINC000181788874 380895875 /nfs/dbraw/zinc/89/58/75/380895875.db2.gz WWJNVTOECZKMKR-ZDUSSCGKSA-N 0 3 297.358 2.691 20 30 CFEDHN CO[C@H]([C@@H](C)NCc1ccc(C#N)c(F)c1)C1CC1 ZINC000403978949 380897873 /nfs/dbraw/zinc/89/78/73/380897873.db2.gz ALYBKFLEJFFLBZ-MEBBXXQBSA-N 0 3 262.328 2.600 20 30 CFEDHN N#Cc1ccc(CNCCOCC2CCCC2)cc1F ZINC000403980181 380898040 /nfs/dbraw/zinc/89/80/40/380898040.db2.gz ASKDYTCOHSBXSC-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN C=C(CC)CN1CCC(c2nnc3ccccn32)CC1 ZINC000358513874 380898162 /nfs/dbraw/zinc/89/81/62/380898162.db2.gz VJHRCAMXEHTYEH-UHFFFAOYSA-N 0 3 270.380 2.875 20 30 CFEDHN CC(C)Cn1cc(CNCCOc2ccc(C#N)cc2)cn1 ZINC000181796035 380898266 /nfs/dbraw/zinc/89/82/66/380898266.db2.gz YCCHWNJGOKUKCJ-UHFFFAOYSA-N 0 3 298.390 2.579 20 30 CFEDHN CCC(CC)[C@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000404111217 380899716 /nfs/dbraw/zinc/89/97/16/380899716.db2.gz JLXNIRPIVFMKHG-OAHLLOKOSA-N 0 3 264.344 2.584 20 30 CFEDHN CC[C@@](C)(CNCc1ccc(C#N)c(F)c1)OC ZINC000404226959 380902356 /nfs/dbraw/zinc/90/23/56/380902356.db2.gz OBLPIHJGJRLQFK-AWEZNQCLSA-N 0 3 250.317 2.602 20 30 CFEDHN Cn1nccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353912258 380951994 /nfs/dbraw/zinc/95/19/94/380951994.db2.gz FKIPGIIUELXTGW-MRXNPFEDSA-N 0 3 268.364 2.945 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)CN(C)C ZINC000287969552 380985224 /nfs/dbraw/zinc/98/52/24/380985224.db2.gz ITMOBFOLYGWKET-HNNXBMFYSA-N 0 3 289.423 2.724 20 30 CFEDHN C=CCN1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358567055 380934054 /nfs/dbraw/zinc/93/40/54/380934054.db2.gz IYYDBBOAIWHIIM-ZDUSSCGKSA-N 0 3 287.382 2.998 20 30 CFEDHN C[C@H](NC[C@@H]1CCC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000358576346 380942148 /nfs/dbraw/zinc/94/21/48/380942148.db2.gz UAKCVIBEGQTNSX-IACUBPJLSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@H](NC[C@H]1CCC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000358576354 380942310 /nfs/dbraw/zinc/94/23/10/380942310.db2.gz UAKCVIBEGQTNSX-UBHSHLNASA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358584326 380947020 /nfs/dbraw/zinc/94/70/20/380947020.db2.gz HROVLFYUENCBTQ-DYEKYZERSA-N 0 3 292.354 2.542 20 30 CFEDHN COCCN(CCC1(C#N)CCCCC1)C1CC1 ZINC000411175620 381011974 /nfs/dbraw/zinc/01/19/74/381011974.db2.gz QVDKTCWBQBFOOK-UHFFFAOYSA-N 0 3 250.386 2.961 20 30 CFEDHN CC/C=C/CCN1CCCN(c2ncccc2C#N)CC1 ZINC000368399809 381012501 /nfs/dbraw/zinc/01/25/01/381012501.db2.gz LZKNETGVCCTGQO-ONEGZZNKSA-N 0 3 284.407 2.822 20 30 CFEDHN CN(CCn1cccn1)CCC1(C#N)CCCCC1 ZINC000411261738 381021264 /nfs/dbraw/zinc/02/12/64/381021264.db2.gz QACLMDJAGLOUMV-UHFFFAOYSA-N 0 3 260.385 2.679 20 30 CFEDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)CCC#N)c1 ZINC000411443367 381029117 /nfs/dbraw/zinc/02/91/17/381029117.db2.gz IIBDLEQXLWEYBR-RYUDHWBXSA-N 0 3 259.353 2.988 20 30 CFEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000411484551 381029950 /nfs/dbraw/zinc/02/99/50/381029950.db2.gz PAQJWLXMIXWCNE-OLZOCXBDSA-N 0 3 269.352 2.610 20 30 CFEDHN CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)[N-]c1oc(C)c(C)c1C#N ZINC000279301710 194374702 /nfs/dbraw/zinc/37/47/02/194374702.db2.gz QICDLYTXUXCKTR-TZMCWYRMSA-N 0 3 289.379 2.875 20 30 CFEDHN CCCCN(CCCO)Cc1cc(C#N)ccc1OC ZINC000182136861 380999729 /nfs/dbraw/zinc/99/97/29/380999729.db2.gz FMHWQRPNVGXNRZ-UHFFFAOYSA-N 0 3 276.380 2.551 20 30 CFEDHN CO[C@@](C)([C@@H](C)NCc1cccc(C#N)c1F)C1CC1 ZINC000411962823 381073599 /nfs/dbraw/zinc/07/35/99/381073599.db2.gz BQFXWHZXSHEHJN-BZNIZROVSA-N 0 3 276.355 2.991 20 30 CFEDHN Cc1csc(CNCCc2cccc(C#N)c2)n1 ZINC000341496675 381049355 /nfs/dbraw/zinc/04/93/55/381049355.db2.gz ZVJFRNVVILNRRU-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=CCC[C@@H](C)NCc1ccc(OC)nc1OC ZINC000289585283 381054957 /nfs/dbraw/zinc/05/49/57/381054957.db2.gz ASJRCVUDLGTNFL-LLVKDONJSA-N 0 3 250.342 2.543 20 30 CFEDHN C#C[C@H](NCc1cc(OC)c(OCC)c(OC)c1)C(C)C ZINC000289588393 381057240 /nfs/dbraw/zinc/05/72/40/381057240.db2.gz ULUQVUKSMAZXCC-AWEZNQCLSA-N 0 3 291.391 2.850 20 30 CFEDHN COCCO[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411603093 381035634 /nfs/dbraw/zinc/03/56/34/381035634.db2.gz LLOXAMKSSLFHET-HNNXBMFYSA-N 0 3 280.412 2.588 20 30 CFEDHN C=CCNCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289664727 381092705 /nfs/dbraw/zinc/09/27/05/381092705.db2.gz IOJVLRKGJMJNJA-UHFFFAOYSA-N 0 3 287.306 2.623 20 30 CFEDHN CN(CCCO[C@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000358800702 381093122 /nfs/dbraw/zinc/09/31/22/381093122.db2.gz BTEJDVHPDAYABP-KRWDZBQOSA-N 0 3 288.391 2.923 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H]1CCn2ccnc21)C(C)C ZINC000295816890 381095069 /nfs/dbraw/zinc/09/50/69/381095069.db2.gz DCYDJQHVPYHHSO-JKSUJKDBSA-N 0 3 288.439 2.616 20 30 CFEDHN COC[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC000368662251 381102053 /nfs/dbraw/zinc/10/20/53/381102053.db2.gz ZHCJEEPSCVUBHT-GFCCVEGCSA-N 0 3 264.394 2.868 20 30 CFEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC ZINC000354168434 381118029 /nfs/dbraw/zinc/11/80/29/381118029.db2.gz XPUWQMDXBIVLDX-UHFFFAOYSA-N 0 3 294.468 2.995 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCc2c1cccc2Br ZINC000289787341 381156966 /nfs/dbraw/zinc/15/69/66/381156966.db2.gz NATYYDVYONFIKU-RNCFNFMXSA-N 0 3 282.181 2.573 20 30 CFEDHN CCC[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000341628331 381136429 /nfs/dbraw/zinc/13/64/29/381136429.db2.gz ZTHRCCBPTWSEAU-HNNXBMFYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000289817703 381173910 /nfs/dbraw/zinc/17/39/10/381173910.db2.gz OVORHQMDLKAQOR-JOYOIKCWSA-N 0 3 259.271 2.903 20 30 CFEDHN C=CCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC000354287258 381185491 /nfs/dbraw/zinc/18/54/91/381185491.db2.gz UHZHFMUDVCTERX-UHFFFAOYSA-N 0 3 260.381 2.834 20 30 CFEDHN COc1cc(CN2CCC3(CCC3)C2)ccc1C#N ZINC000369115445 381196199 /nfs/dbraw/zinc/19/61/99/381196199.db2.gz IFMVJDFYEFYJSM-UHFFFAOYSA-N 0 3 256.349 2.943 20 30 CFEDHN C=CCOCCCN1CCCC[C@@H]1c1cnn(C)c1 ZINC000342131343 381212269 /nfs/dbraw/zinc/21/22/69/381212269.db2.gz OLBQTSLFWVFDMJ-OAHLLOKOSA-N 0 3 263.385 2.540 20 30 CFEDHN C=CCC[C@H](NCC(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000342214048 381220368 /nfs/dbraw/zinc/22/03/68/381220368.db2.gz XYNGCSYNQXXBEF-LBPRGKRZSA-N 0 3 286.297 2.788 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000289931441 381222949 /nfs/dbraw/zinc/22/29/49/381222949.db2.gz VNMRGFYXMQKXCP-VXGBXAGGSA-N 0 3 296.798 2.502 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000342257931 381233159 /nfs/dbraw/zinc/23/31/59/381233159.db2.gz YJKWGFCBJZKSAD-KGLIPLIRSA-N 0 3 276.355 2.586 20 30 CFEDHN N#CC(C(=O)c1ccnc2ccccc21)c1ccncn1 ZINC000354405749 381247041 /nfs/dbraw/zinc/24/70/41/381247041.db2.gz JCKBKZPDQHPKNA-ZDUSSCGKSA-N 0 3 274.283 2.515 20 30 CFEDHN C[C@H](NCCCC#N)c1cccc(-n2cccn2)c1 ZINC000183603923 381293430 /nfs/dbraw/zinc/29/34/30/381293430.db2.gz INDYRTNNSIUYOK-ZDUSSCGKSA-N 0 3 254.337 2.827 20 30 CFEDHN CCN1C[C@H](C)N(Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000347687522 381299008 /nfs/dbraw/zinc/29/90/08/381299008.db2.gz ISHJMPSPFQCUHC-STQMWFEESA-N 0 3 275.371 2.612 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296217115 381305227 /nfs/dbraw/zinc/30/52/27/381305227.db2.gz KAIIZYBODAQONT-GJZGRUSLSA-N 0 3 283.799 2.632 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000342336681 381283491 /nfs/dbraw/zinc/28/34/91/381283491.db2.gz WRRGGPJYBYZUAG-HUUCEWRRSA-N 0 3 296.455 2.594 20 30 CFEDHN N#CC(C(=O)c1ccc(Cl)c(F)c1)c1ccncn1 ZINC000354460910 381286172 /nfs/dbraw/zinc/28/61/72/381286172.db2.gz GGGOETDXMYTLBO-SECBINFHSA-N 0 3 275.670 2.759 20 30 CFEDHN C[C@@H](C#N)CNC1CCC(C(=O)OC(C)(C)C)CC1 ZINC000183829685 381326533 /nfs/dbraw/zinc/32/65/33/381326533.db2.gz FGASCLMOPFMYPR-HIFPTAJRSA-N 0 3 266.385 2.636 20 30 CFEDHN C[C@H](C#N)CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000183837622 381328929 /nfs/dbraw/zinc/32/89/29/381328929.db2.gz BZBAUFMUPTVFCH-YCPHGPKFSA-N 0 3 257.381 2.571 20 30 CFEDHN CC(C)[C@@H](NCc1ccc(C#N)cc1F)C(C)(C)O ZINC000347709007 381307947 /nfs/dbraw/zinc/30/79/47/381307947.db2.gz QEYCEYVLVRJBMS-CQSZACIVSA-N 0 3 264.344 2.582 20 30 CFEDHN CCCCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C1(C)C ZINC000354511973 381311341 /nfs/dbraw/zinc/31/13/41/381311341.db2.gz NKTWJBDTSKXNKP-YNEHKIRRSA-N 0 3 266.385 2.588 20 30 CFEDHN N#Cc1cccnc1N1CCN(CC23CCC(CC2)C3)CC1 ZINC000347730659 381319196 /nfs/dbraw/zinc/31/91/96/381319196.db2.gz KPBBMKBMODZFKL-UHFFFAOYSA-N 0 3 296.418 2.656 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2COc3ccccc32)c(F)c1 ZINC000342463058 381343841 /nfs/dbraw/zinc/34/38/41/381343841.db2.gz ZDYNZDUVMMDLOB-CQSZACIVSA-N 0 3 282.318 2.963 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H](c1cccs1)C1CC1 ZINC000342470021 381348925 /nfs/dbraw/zinc/34/89/25/381348925.db2.gz IPPCRNKFZAANCH-MRXNPFEDSA-N 0 3 290.432 2.989 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000342479677 381352546 /nfs/dbraw/zinc/35/25/46/381352546.db2.gz UCJCWVPONODOLN-WMZOPIPTSA-N 0 3 298.430 2.947 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC[C@@H](COC)C1 ZINC000342581204 381412102 /nfs/dbraw/zinc/41/21/02/381412102.db2.gz ISBLTSWQHGYVSP-JKSUJKDBSA-N 0 3 296.455 2.548 20 30 CFEDHN C[C@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN(C2CC2)C1 ZINC000296417399 381384763 /nfs/dbraw/zinc/38/47/63/381384763.db2.gz RKRYPEHETZJRIV-CYBMUJFWSA-N 0 3 298.390 2.506 20 30 CFEDHN CN(CC#Cc1ccc(F)cc1)CC[C@@H]1CCCO1 ZINC000342607966 381431758 /nfs/dbraw/zinc/43/17/58/381431758.db2.gz SACTUCVYVYQQCM-INIZCTEOSA-N 0 3 261.340 2.678 20 30 CFEDHN C#Cc1ccc(CNC[C@@](C)(O)c2cc(C)oc2C)cc1 ZINC000290463583 381438797 /nfs/dbraw/zinc/43/87/97/381438797.db2.gz UHPUXOIOXUUXAR-GOSISDBHSA-N 0 3 283.371 2.875 20 30 CFEDHN C=C(CC)CN[C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000342627071 381442325 /nfs/dbraw/zinc/44/23/25/381442325.db2.gz CEOQLLCXDWGPFA-ZDUSSCGKSA-N 0 3 277.364 2.855 20 30 CFEDHN C[C@H](CC1CC1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348248375 381476771 /nfs/dbraw/zinc/47/67/71/381476771.db2.gz UZHSQUYIAQFVKF-WBMJQRKESA-N 0 3 281.359 2.545 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348285019 381478647 /nfs/dbraw/zinc/47/86/47/381478647.db2.gz PZFXFJQIGHLSOT-VWYCJHECSA-N 0 3 251.292 2.586 20 30 CFEDHN C=CCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296632796 381482165 /nfs/dbraw/zinc/48/21/65/381482165.db2.gz HWZOUZAPKCWMFF-UHFFFAOYSA-N 0 3 258.365 2.716 20 30 CFEDHN C#CCOc1ccc([C@H](C)N[C@@H](CC)[C@H](O)C(F)F)cc1 ZINC000296564381 381451968 /nfs/dbraw/zinc/45/19/68/381451968.db2.gz SLQZSEQIXKVAMS-CQDKDKBSSA-N 0 3 297.345 2.754 20 30 CFEDHN C#Cc1ccc(CNCCC(=O)N2CCCCCC2)cc1 ZINC000290504183 381455497 /nfs/dbraw/zinc/45/54/97/381455497.db2.gz WQQTWRKHBOGPMZ-UHFFFAOYSA-N 0 3 284.403 2.550 20 30 CFEDHN C=CCOCCCN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000348046969 381456248 /nfs/dbraw/zinc/45/62/48/381456248.db2.gz KGVHNQKXDOXOFQ-UHFFFAOYSA-N 0 3 291.391 2.958 20 30 CFEDHN C[C@H]1[C@@H](C(F)(F)F)CCN1CCCSCC#N ZINC000348293266 381484432 /nfs/dbraw/zinc/48/44/32/381484432.db2.gz ZHSQNCDCBOFWEJ-UWVGGRQHSA-N 0 3 266.332 2.906 20 30 CFEDHN CC[C@@H](C)N[C@H](CNC(=O)C1(C#N)CCC1)c1ccco1 ZINC000359551493 381463634 /nfs/dbraw/zinc/46/36/34/381463634.db2.gz FKSKUMFIBGUAMD-CHWSQXEVSA-N 0 3 289.379 2.519 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000342728327 381503703 /nfs/dbraw/zinc/50/37/03/381503703.db2.gz WHSKDLCMRSYLCM-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCN(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000342740180 381511508 /nfs/dbraw/zinc/51/15/08/381511508.db2.gz QRYZJZFRUROSSG-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)o1 ZINC000290658079 381514004 /nfs/dbraw/zinc/51/40/04/381514004.db2.gz ZLRHVOQBGPCHRR-ARFHVFGLSA-N 0 3 250.301 2.579 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000342749286 381516210 /nfs/dbraw/zinc/51/62/10/381516210.db2.gz YSFHQFYSJKVXMF-OFQRWUPVSA-N 0 3 264.413 2.674 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(Cl)cn1 ZINC000359627481 381519352 /nfs/dbraw/zinc/51/93/52/381519352.db2.gz CRGQDUWNTIHAHZ-QWRGUYRKSA-N 0 3 254.761 2.570 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC[C@H]1CF ZINC000359595209 381494282 /nfs/dbraw/zinc/49/42/82/381494282.db2.gz LHHVAOLBMHYLOL-GJZGRUSLSA-N 0 3 274.339 2.719 20 30 CFEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000184946272 381498441 /nfs/dbraw/zinc/49/84/41/381498441.db2.gz RQFWCRTUDJJXQI-UHFFFAOYSA-N 0 3 286.419 2.770 20 30 CFEDHN C=CCCN(C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000342722750 381500469 /nfs/dbraw/zinc/50/04/69/381500469.db2.gz OZCZHBWOOYOQLK-MCIONIFRSA-N 0 3 252.402 2.578 20 30 CFEDHN C[C@H](C1CCC1)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000348397155 381550244 /nfs/dbraw/zinc/55/02/44/381550244.db2.gz GFBDKDVLRHNIOC-CXAGYDPISA-N 0 3 295.386 2.888 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@@H](C)c1ccn(C)n1)C(C)C ZINC000414074098 381559502 /nfs/dbraw/zinc/55/95/02/381559502.db2.gz WRKFUUIYPQWHTK-DOTOQJQBSA-N 0 3 290.455 2.769 20 30 CFEDHN C=C(C)CN1CCC(N[C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414131888 381562146 /nfs/dbraw/zinc/56/21/46/381562146.db2.gz YMKAIYAAAPNGAT-AWEZNQCLSA-N 0 3 288.439 2.520 20 30 CFEDHN COc1ccc([C@H](C)NCC(C)(C)CC#N)cc1O ZINC000414162579 381566027 /nfs/dbraw/zinc/56/60/27/381566027.db2.gz HKPHDBNHVZBWBU-NSHDSACASA-N 0 3 262.353 2.991 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(-n2cncn2)cc1 ZINC000414165401 381566135 /nfs/dbraw/zinc/56/61/35/381566135.db2.gz LWDUFPRGKVIPLP-CYBMUJFWSA-N 0 3 283.379 2.858 20 30 CFEDHN C[C@@H]1CCC[C@H](CN2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000355084553 381602348 /nfs/dbraw/zinc/60/23/48/381602348.db2.gz VMGAELIJAYNQNI-CVEARBPZSA-N 0 3 298.434 2.902 20 30 CFEDHN N#Cc1cccc(CN[C@H]2CCC[C@H]2OC(F)F)c1F ZINC000348522364 381605689 /nfs/dbraw/zinc/60/56/89/381605689.db2.gz XANVBTFSCDYWGP-NWDGAFQWSA-N 0 3 284.281 2.947 20 30 CFEDHN C=CCCC[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000414430226 381584580 /nfs/dbraw/zinc/58/45/80/381584580.db2.gz MCGIOYUZJOLDGN-NSHDSACASA-N 0 3 287.450 2.986 20 30 CFEDHN CCOC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC000298350908 381588997 /nfs/dbraw/zinc/58/89/97/381588997.db2.gz SVOSMIOGDWPNGU-UHFFFAOYSA-N 0 3 258.365 2.949 20 30 CFEDHN Cn1cc([C@@H](NCc2cc(C#N)n(C)c2)C(C)(C)C)cn1 ZINC000359746060 381593490 /nfs/dbraw/zinc/59/34/90/381593490.db2.gz HAISLJHJBXYZIK-OAHLLOKOSA-N 0 3 285.395 2.507 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NCc1ccnc(OC)n1 ZINC000414534358 381593769 /nfs/dbraw/zinc/59/37/69/381593769.db2.gz JPGXAIHURIUBMI-HNNXBMFYSA-N 0 3 283.375 2.762 20 30 CFEDHN CC(C)CN1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000359838145 381635036 /nfs/dbraw/zinc/63/50/36/381635036.db2.gz PHIQRBOXVFVBGT-UHFFFAOYSA-N 0 3 291.826 2.985 20 30 CFEDHN C[C@@H](CN1CCCCCC1)Nc1nccc(C#N)c1Cl ZINC000343007188 381648626 /nfs/dbraw/zinc/64/86/26/381648626.db2.gz FXWZUZLHSRGVMO-LBPRGKRZSA-N 0 3 292.814 2.705 20 30 CFEDHN C=CC[C@H](CO)Nc1ccnc2cc(OC)c(OC)cc21 ZINC000298509769 381655391 /nfs/dbraw/zinc/65/53/91/381655391.db2.gz BEVCKYJCVNKMSA-LLVKDONJSA-N 0 3 288.347 2.601 20 30 CFEDHN C=CCN(C(=O)CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000371591656 381662258 /nfs/dbraw/zinc/66/22/58/381662258.db2.gz VNWFWHHELZVCSC-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN Cc1cccc(NC(=O)C(C#N)c2ccc([N+](=O)[O-])cn2)c1 ZINC000359918601 381677547 /nfs/dbraw/zinc/67/75/47/381677547.db2.gz RRQSDVYMBCQOJF-CYBMUJFWSA-N 0 3 296.286 2.544 20 30 CFEDHN CCOC(=O)CCN(C)[C@H](C)c1ccc(C#N)cc1 ZINC000343392594 381682544 /nfs/dbraw/zinc/68/25/44/381682544.db2.gz BOJLPOHNXKGCER-GFCCVEGCSA-N 0 3 260.337 2.504 20 30 CFEDHN C=CCCOCCN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000371734217 381688337 /nfs/dbraw/zinc/68/83/37/381688337.db2.gz DVGVUPDSVNPCCN-CQSZACIVSA-N 0 3 292.354 2.781 20 30 CFEDHN CN(C)C[C@H]1CN(CCCCC#N)c2ccccc2O1 ZINC000372001706 381732077 /nfs/dbraw/zinc/73/20/77/381732077.db2.gz WWZAWLNLJXJQIJ-AWEZNQCLSA-N 0 3 273.380 2.509 20 30 CFEDHN CCN(Cc1ccccc1)C(=O)CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185816178 381743961 /nfs/dbraw/zinc/74/39/61/381743961.db2.gz DRLNNHIXIKMROF-IAGOWNOFSA-N 0 3 299.418 2.707 20 30 CFEDHN C=C(C)CN[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291337305 381751209 /nfs/dbraw/zinc/75/12/09/381751209.db2.gz WILAJMKJNINBNR-CYBMUJFWSA-N 0 3 273.380 2.833 20 30 CFEDHN C=C(C)CN[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000291337306 381752211 /nfs/dbraw/zinc/75/22/11/381752211.db2.gz WILAJMKJNINBNR-ZDUSSCGKSA-N 0 3 273.380 2.833 20 30 CFEDHN Cc1cc([C@](C)(O)CN[C@@H]2CCC[C@H](C#N)C2)c(C)o1 ZINC000185843441 381753852 /nfs/dbraw/zinc/75/38/52/381753852.db2.gz XCCCGDSDLRHISR-SQWLQELKSA-N 0 3 276.380 2.776 20 30 CFEDHN C[C@H]1[C@H](Nc2nc(C(F)(F)F)ccc2C#N)CCCN1C ZINC000343456884 381724039 /nfs/dbraw/zinc/72/40/39/381724039.db2.gz KCKZEZPSMUWZKD-GXSJLCMTSA-N 0 3 298.312 2.867 20 30 CFEDHN C[C@@H]1CCC[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360061090 381758087 /nfs/dbraw/zinc/75/80/87/381758087.db2.gz QMFBLSBJVSCITJ-IVMMDQJWSA-N 0 3 285.391 2.501 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000343538795 381782215 /nfs/dbraw/zinc/78/22/15/381782215.db2.gz VZTVLYPHWCMVAD-MCIONIFRSA-N 0 3 252.402 2.720 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)C1(c2ccccc2)CCCC1 ZINC000185958832 381788232 /nfs/dbraw/zinc/78/82/32/381788232.db2.gz DMWBFYSBTGXMMS-HNNXBMFYSA-N 0 3 286.419 2.779 20 30 CFEDHN N#CCc1ccc(CN2CCC[C@@H](n3cccn3)C2)cc1 ZINC000343552353 381791486 /nfs/dbraw/zinc/79/14/86/381791486.db2.gz OFUSAPSNJCJNEG-QGZVFWFLSA-N 0 3 280.375 2.786 20 30 CFEDHN C=CCCC1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 ZINC000355663704 381791741 /nfs/dbraw/zinc/79/17/41/381791741.db2.gz RVINEFZGZZBIAP-AWEZNQCLSA-N 0 3 276.424 2.866 20 30 CFEDHN CCc1nn(C)c(CC)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185870077 381761002 /nfs/dbraw/zinc/76/10/02/381761002.db2.gz QADZWGVTKSCCLD-CHWSQXEVSA-N 0 3 274.412 2.717 20 30 CFEDHN COc1ccc(CN2CCCO[C@H]3CCC[C@H]32)cc1C#N ZINC000372170964 381766878 /nfs/dbraw/zinc/76/68/78/381766878.db2.gz WULZOWYWUCLWDT-WBVHZDCISA-N 0 3 286.375 2.710 20 30 CFEDHN Cc1c(Cl)cnc(NCCN2CCCC[C@@H]2C)c1C#N ZINC000343532922 381779230 /nfs/dbraw/zinc/77/92/30/381779230.db2.gz QARJSZKUPMOCOC-NSHDSACASA-N 0 3 292.814 2.623 20 30 CFEDHN CCCCCCCCN1CCc2nnc(N)cc2C1 ZINC000361368389 381823665 /nfs/dbraw/zinc/82/36/65/381823665.db2.gz VGTDZMSYUKQAEA-UHFFFAOYSA-N 0 3 262.401 2.608 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000186149665 381835787 /nfs/dbraw/zinc/83/57/87/381835787.db2.gz KOFROFRXBUVBCN-WBVHZDCISA-N 0 3 298.430 2.673 20 30 CFEDHN C[C@@H](CN(C)C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356339747 381843196 /nfs/dbraw/zinc/84/31/96/381843196.db2.gz JHDKMSIWCHSAST-JTQLQIEISA-N 0 3 285.313 2.617 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000361150938 381805143 /nfs/dbraw/zinc/80/51/43/381805143.db2.gz CPITXXDWEAOQCR-GJZGRUSLSA-N 0 3 274.408 2.776 20 30 CFEDHN Cc1nc(N(C)[C@@H]2CCN(C)C[C@@H]2C)c(Cl)cc1C#N ZINC000292495851 381807097 /nfs/dbraw/zinc/80/70/97/381807097.db2.gz FJUSLIQCTSENOY-IINYFYTJSA-N 0 3 292.814 2.692 20 30 CFEDHN C=CC[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000186052619 381812464 /nfs/dbraw/zinc/81/24/64/381812464.db2.gz MRIPMMGLKAZBIX-KBPBESRZSA-N 0 3 281.421 2.711 20 30 CFEDHN C=CCc1cc(CN(CC)[C@H]2CCOC2)cc(OC)c1O ZINC000361236258 381812524 /nfs/dbraw/zinc/81/25/24/381812524.db2.gz DHEVOVLRXJWYSW-HNNXBMFYSA-N 0 3 291.391 2.740 20 30 CFEDHN C=CCN(CCOC)CCOc1ccc(Cl)cc1 ZINC000361995954 381878341 /nfs/dbraw/zinc/87/83/41/381878341.db2.gz JGZDIUFKQQVHNK-UHFFFAOYSA-N 0 3 269.772 2.853 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](CO)[C@H](C)C2)cc1Cl ZINC000361659338 381854899 /nfs/dbraw/zinc/85/48/99/381854899.db2.gz ZVHVSODFSGGHGN-TZMCWYRMSA-N 0 3 295.810 2.965 20 30 CFEDHN C=CCCCN1CCCN(C(=O)c2scnc2C)CC1 ZINC000361684010 381857041 /nfs/dbraw/zinc/85/70/41/381857041.db2.gz GJQIIDBBHPRJDO-UHFFFAOYSA-N 0 3 293.436 2.566 20 30 CFEDHN C[C@@]1(CCCO)CCCN1CC#Cc1ccccc1 ZINC000361864540 381869856 /nfs/dbraw/zinc/86/98/56/381869856.db2.gz ATHBXIZKJHBFHG-KRWDZBQOSA-N 0 3 257.377 2.665 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N1CCN(CC2CC2)CC1 ZINC000186287477 381873089 /nfs/dbraw/zinc/87/30/89/381873089.db2.gz DLXMQKWEOHCCEU-CQSZACIVSA-N 0 3 269.392 2.647 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCN(CC2CC2)CC1 ZINC000186287459 381874033 /nfs/dbraw/zinc/87/40/33/381874033.db2.gz DLXMQKWEOHCCEU-AWEZNQCLSA-N 0 3 269.392 2.647 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2)C(C)C)CC1 ZINC000299313975 381893249 /nfs/dbraw/zinc/89/32/49/381893249.db2.gz GBZPZJZFCRGUQT-GOSISDBHSA-N 0 3 298.430 2.845 20 30 CFEDHN CN(CCSCc1ncc(C#N)cn1)Cc1ccccc1 ZINC000416904687 381964343 /nfs/dbraw/zinc/96/43/43/381964343.db2.gz IDKWRSANDUCJGX-UHFFFAOYSA-N 0 3 298.415 2.713 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000343835399 381971804 /nfs/dbraw/zinc/97/18/04/381971804.db2.gz IQKJMVCQYSISMY-ZFWWWQNUSA-N 0 3 279.428 2.609 20 30 CFEDHN N#Cc1ncn(C2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000373405530 381996816 /nfs/dbraw/zinc/99/68/16/381996816.db2.gz OTRZHQAOKFKNKS-QPJJXVBHSA-N 0 3 293.374 2.500 20 30 CFEDHN CC(C)CN(C(=O)CC(C)(C)C#N)C1CCN(C)CC1 ZINC000362251039 381978431 /nfs/dbraw/zinc/97/84/31/381978431.db2.gz PDGRPGJELPEPPE-UHFFFAOYSA-N 0 3 279.428 2.505 20 30 CFEDHN CC#CCCCC(=O)N(C)C1CCN(c2ccncc2)CC1 ZINC000373338312 381981813 /nfs/dbraw/zinc/98/18/13/381981813.db2.gz DBZFNWZHUCTQDV-UHFFFAOYSA-N 0 3 299.418 2.702 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000357050532 381988711 /nfs/dbraw/zinc/98/87/11/381988711.db2.gz AVJAQGHROFEDAM-WKEGUHRASA-N 0 3 292.207 2.844 20 30 CFEDHN CC(C#N)C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000357050529 381989185 /nfs/dbraw/zinc/98/91/85/381989185.db2.gz AVJAQGHROFEDAM-LHLIQPBNSA-N 0 3 292.207 2.844 20 30 CFEDHN C=CC[C@@H](CO)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000186710101 381991243 /nfs/dbraw/zinc/99/12/43/381991243.db2.gz HEJFONPYCZQXEQ-PBHICJAKSA-N 0 3 285.391 2.519 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cnn(-c3ccccc3)c2)C1 ZINC000349823310 381993848 /nfs/dbraw/zinc/99/38/48/381993848.db2.gz UFXVWYADYWJVGH-HIFRSBDPSA-N 0 3 266.348 2.654 20 30 CFEDHN C=CC[C@H](CO)NCc1cnc(-c2ccsc2)s1 ZINC000351581348 382045708 /nfs/dbraw/zinc/04/57/08/382045708.db2.gz NQCPTKJPSSWOPV-LLVKDONJSA-N 0 3 280.418 2.898 20 30 CFEDHN C[C@@H]1CC[C@H](N(CC#Cc2ccccc2)CCO)C1 ZINC000351630059 382050254 /nfs/dbraw/zinc/05/02/54/382050254.db2.gz QRFAWOPLMMBHMV-WBVHZDCISA-N 0 3 257.377 2.521 20 30 CFEDHN C=CCSc1ccccc1C(=O)NC[C@@H](C)N(C)C ZINC000362403767 382053811 /nfs/dbraw/zinc/05/38/11/382053811.db2.gz QMJOACRFCIOCLE-GFCCVEGCSA-N 0 3 278.421 2.645 20 30 CFEDHN CCCN1CCC[C@H]1CNc1nc(C)ccc1C#N ZINC000343991747 382053975 /nfs/dbraw/zinc/05/39/75/382053975.db2.gz PPOGHFMAZQHDKX-AWEZNQCLSA-N 0 3 258.369 2.548 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCC(C)(C)C2)CC1 ZINC000351832492 382065769 /nfs/dbraw/zinc/06/57/69/382065769.db2.gz MVCVSMQOLYBSFE-CQSZACIVSA-N 0 3 279.428 2.515 20 30 CFEDHN C[C@H]1C[C@]1(C#N)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000351055125 382021477 /nfs/dbraw/zinc/02/14/77/382021477.db2.gz ICVCOEGPJHTPTC-MEDUHNTESA-N 0 3 282.347 2.599 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](O)C(C)(C)C ZINC000343931806 382026145 /nfs/dbraw/zinc/02/61/45/382026145.db2.gz FRISBRMDSSLVIK-HNNXBMFYSA-N 0 3 281.396 2.557 20 30 CFEDHN C[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](C2CC2)O1 ZINC000374075787 382033568 /nfs/dbraw/zinc/03/35/68/382033568.db2.gz WXCROLGIWGMZCT-HOCLYGCPSA-N 0 3 292.423 2.586 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000351273681 382034978 /nfs/dbraw/zinc/03/49/78/382034978.db2.gz WPZQMYZGURTLFW-HOCLYGCPSA-N 0 3 280.412 2.729 20 30 CFEDHN C[C@H]1OCC[C@]12CN(CCCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000375923037 382111983 /nfs/dbraw/zinc/11/19/83/382111983.db2.gz YNLONDHWASLHDH-INMHGKMJSA-N 0 3 294.439 2.975 20 30 CFEDHN C=CCCCCNC(=O)NC[C@H](N)c1ccccc1CC ZINC000418042964 382115264 /nfs/dbraw/zinc/11/52/64/382115264.db2.gz YFNBPPRQMVPPNL-INIZCTEOSA-N 0 3 289.423 2.904 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2CC)CC1 ZINC000362518931 382119168 /nfs/dbraw/zinc/11/91/68/382119168.db2.gz NHIMVXGBXNNQIH-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(F)(c2cccnc2)CC1 ZINC000375361160 382082148 /nfs/dbraw/zinc/08/21/48/382082148.db2.gz KTYNOWMMBOPDKK-HNNXBMFYSA-N 0 3 278.371 2.669 20 30 CFEDHN C=C[C@H](CC(=O)N1CCN2CCC1CC2)c1ccccc1 ZINC000375496253 382088467 /nfs/dbraw/zinc/08/84/67/382088467.db2.gz MDROEXLXRBHXDF-OAHLLOKOSA-N 0 3 284.403 2.653 20 30 CFEDHN CC(C)[C@@H]1CN(Cc2cccc(C#N)c2)CCCO1 ZINC000293358943 382091697 /nfs/dbraw/zinc/09/16/97/382091697.db2.gz ZTKWXGQXCDLOTG-INIZCTEOSA-N 0 3 258.365 2.805 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000344054568 382097561 /nfs/dbraw/zinc/09/75/61/382097561.db2.gz JEUUBXFLUIEBFB-AWEZNQCLSA-N 0 3 264.413 2.555 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)NC23CCC(CC2)C3)CC1 ZINC000376350818 382131535 /nfs/dbraw/zinc/13/15/35/382131535.db2.gz JCURJIRJNDVIJR-UHFFFAOYSA-N 0 3 291.439 2.659 20 30 CFEDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000301291717 382140069 /nfs/dbraw/zinc/14/00/69/382140069.db2.gz WYJUVHGRLPZSED-AWEZNQCLSA-N 0 3 288.351 2.753 20 30 CFEDHN C=CCC1(CNC(=O)N2C[C@@H](C)NC[C@@H]2C)CCCC1 ZINC000418268649 382143795 /nfs/dbraw/zinc/14/37/95/382143795.db2.gz XMUVUDONFHRJNL-KGLIPLIRSA-N 0 3 279.428 2.515 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000344127026 382144890 /nfs/dbraw/zinc/14/48/90/382144890.db2.gz DBUBEWIXSMCJKG-OWYVNGRQSA-N 0 3 294.301 2.541 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000344158922 382169305 /nfs/dbraw/zinc/16/93/05/382169305.db2.gz FQCHQMVFQSLEEE-AWEZNQCLSA-N 0 3 266.429 2.779 20 30 CFEDHN C=CCN(C(=O)NC[C@H](N)c1ccccc1CC)C1CC1 ZINC000418645626 382169751 /nfs/dbraw/zinc/16/97/51/382169751.db2.gz DGAZRYJKMMMJBC-INIZCTEOSA-N 0 3 287.407 2.609 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000344160420 382171013 /nfs/dbraw/zinc/17/10/13/382171013.db2.gz HWBDKHLHDLKCHO-AWEZNQCLSA-N 0 3 264.413 2.555 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C2CC2)C1 ZINC000362701021 382205388 /nfs/dbraw/zinc/20/53/88/382205388.db2.gz DVPWOEMPHMHZGE-IUODEOHRSA-N 0 3 283.375 2.617 20 30 CFEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)cc1 ZINC000344220145 382206106 /nfs/dbraw/zinc/20/61/06/382206106.db2.gz OLGUZSMHHAHFST-GFCCVEGCSA-N 0 3 274.364 2.768 20 30 CFEDHN C[C@@H](Cc1cccc(O)c1)NCc1ccc(C#N)o1 ZINC000344225136 382211288 /nfs/dbraw/zinc/21/12/88/382211288.db2.gz RSYYLGFGENLKTH-NSHDSACASA-N 0 3 256.305 2.578 20 30 CFEDHN C[C@H](CN1CCCCCC1)NCc1ccc(C#N)s1 ZINC000187566977 382211229 /nfs/dbraw/zinc/21/12/29/382211229.db2.gz XBRJCYPVNGAFIT-CYBMUJFWSA-N 0 3 277.437 2.974 20 30 CFEDHN C[C@H]1CCC[C@H](C)N1CCNCc1cc(C#N)cs1 ZINC000344227055 382214188 /nfs/dbraw/zinc/21/41/88/382214188.db2.gz UUAYGYYMUBZWPJ-STQMWFEESA-N 0 3 277.437 2.972 20 30 CFEDHN C=C(C)CN1CCC(Nc2nc(C)cnc2C)CC1 ZINC000302216364 382216310 /nfs/dbraw/zinc/21/63/10/382216310.db2.gz JMRFEUMTKXDFPN-UHFFFAOYSA-N 0 3 260.385 2.546 20 30 CFEDHN C=C(C)CN1CCC(Nc2nccnc2OC(C)C)CC1 ZINC000302215804 382216390 /nfs/dbraw/zinc/21/63/90/382216390.db2.gz JCYIQVCBLGIFAD-UHFFFAOYSA-N 0 3 290.411 2.716 20 30 CFEDHN CN(CCN(C)C1CC1)c1c(Cl)cccc1C#N ZINC000302251873 382229941 /nfs/dbraw/zinc/22/99/41/382229941.db2.gz NFMBIAROOUCTTK-UHFFFAOYSA-N 0 3 263.772 2.742 20 30 CFEDHN C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000293788202 382279969 /nfs/dbraw/zinc/27/99/69/382279969.db2.gz MITYQCFNZCWOAM-UGSOOPFHSA-N 0 3 298.361 2.952 20 30 CFEDHN CC(=O)N(C)C1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187662440 382239060 /nfs/dbraw/zinc/23/90/60/382239060.db2.gz MDUUZDNDIDOMTH-ZDUSSCGKSA-N 0 3 285.391 2.562 20 30 CFEDHN CC(=O)N(C)C1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187662459 382239363 /nfs/dbraw/zinc/23/93/63/382239363.db2.gz MDUUZDNDIDOMTH-CYBMUJFWSA-N 0 3 285.391 2.562 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H]1CCOC1(C)C ZINC000293716402 382247308 /nfs/dbraw/zinc/24/73/08/382247308.db2.gz MGVMBOMXXIBKQI-OAHLLOKOSA-N 0 3 261.365 2.909 20 30 CFEDHN CN(C)c1cccc(CNCc2cc(C#N)cs2)c1 ZINC000344284531 382252032 /nfs/dbraw/zinc/25/20/32/382252032.db2.gz PTNJIQRBSWZDIN-UHFFFAOYSA-N 0 3 271.389 2.976 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC(Cn2ccnn2)CC1 ZINC000187716065 382255136 /nfs/dbraw/zinc/25/51/36/382255136.db2.gz JEROZLATKHCQQE-AWEZNQCLSA-N 0 3 295.390 2.623 20 30 CFEDHN CC1(C)[C@H](NCc2cc(C#N)ccc2F)[C@@H]2CCCO[C@@H]21 ZINC000344293822 382256758 /nfs/dbraw/zinc/25/67/58/382256758.db2.gz RISHTMIEUYVKGE-IMJJTQAJSA-N 0 3 288.366 2.991 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000344302600 382260107 /nfs/dbraw/zinc/26/01/07/382260107.db2.gz SQZZPJLOEVKVGD-SLBVQIDZSA-N 0 3 271.364 2.584 20 30 CFEDHN CC[C@@H](N[C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCC1 ZINC000419288156 382271640 /nfs/dbraw/zinc/27/16/40/382271640.db2.gz HHFCAXDCGNTDFH-CVEARBPZSA-N 0 3 285.391 2.643 20 30 CFEDHN N#Cc1cc(N2CCN3CCC2CC3)ccc1C(F)(F)F ZINC000302750928 382310704 /nfs/dbraw/zinc/31/07/04/382310704.db2.gz GYDMOTAXAUFSRB-UHFFFAOYSA-N 0 3 295.308 2.861 20 30 CFEDHN C=C(C)CCN(CCOC)Cc1scnc1C ZINC000352412712 382317104 /nfs/dbraw/zinc/31/71/04/382317104.db2.gz ICKOLHLKCVBQGR-UHFFFAOYSA-N 0 3 254.399 2.866 20 30 CFEDHN Cc1sccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000293878886 382318659 /nfs/dbraw/zinc/31/86/59/382318659.db2.gz JOZRJBUZKZSASK-OAHLLOKOSA-N 0 3 299.399 2.977 20 30 CFEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)C(C)C)cc1 ZINC000357786168 382320593 /nfs/dbraw/zinc/32/05/93/382320593.db2.gz ABABYYUBBITJSP-RISCZKNCSA-N 0 3 260.337 2.668 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)CCC2CC2)CC1 ZINC000345951499 382323779 /nfs/dbraw/zinc/32/37/79/382323779.db2.gz QNELTYXRPOFSGR-CYBMUJFWSA-N 0 3 279.428 2.515 20 30 CFEDHN CC(C)(C#N)CCNC1(c2ccc3c(c2)OCO3)CC1 ZINC000345955610 382324222 /nfs/dbraw/zinc/32/42/22/382324222.db2.gz SXOHBMTZPWVCMD-UHFFFAOYSA-N 0 3 272.348 2.934 20 30 CFEDHN C=CCOCCCN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000352431412 382330394 /nfs/dbraw/zinc/33/03/94/382330394.db2.gz LDLWTEHPSCXQKV-GJZGRUSLSA-N 0 3 265.397 2.613 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000352445024 382335621 /nfs/dbraw/zinc/33/56/21/382335621.db2.gz JGEQHWNHZANVOJ-LZWOXQAQSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cnn(C(C)C)c1C ZINC000345284426 382294937 /nfs/dbraw/zinc/29/49/37/382294937.db2.gz QWLODAVQWNMTCQ-GXTWGEPZSA-N 0 3 265.401 2.608 20 30 CFEDHN C[C@H]1CCC[C@H](C)N(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000357739610 382300142 /nfs/dbraw/zinc/30/01/42/382300142.db2.gz ILVOTJCKMJFCNT-GJZGRUSLSA-N 0 3 299.418 2.685 20 30 CFEDHN CCc1nc(C)c([C@@H](C)N(C)C(=O)C(C)C#N)s1 ZINC000346417265 382354053 /nfs/dbraw/zinc/35/40/53/382354053.db2.gz UJXLIITXCNCJLK-WCBMZHEXSA-N 0 3 265.382 2.693 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000680483833 542329441 /nfs/dbraw/zinc/32/94/41/542329441.db2.gz BQMJUODPVXFYLA-UKRRQHHQSA-N 0 3 293.407 2.899 20 30 CFEDHN COC[C@H]1CCCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000365254906 382366933 /nfs/dbraw/zinc/36/69/33/382366933.db2.gz IQPMQEXLTXZJRJ-AWEZNQCLSA-N 0 3 276.355 2.946 20 30 CFEDHN CC(C)[C@]1(CO)CCCN(Cc2ccc(C#N)s2)C1 ZINC000294018818 382380259 /nfs/dbraw/zinc/38/02/59/382380259.db2.gz NLLDVBIMNZWCBI-OAHLLOKOSA-N 0 3 278.421 2.850 20 30 CFEDHN CCN1CCN(Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000352662632 382438621 /nfs/dbraw/zinc/43/86/21/382438621.db2.gz ZZXSUKQRVXRSAA-GFCCVEGCSA-N 0 3 277.799 2.738 20 30 CFEDHN CN(Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000365477532 382398916 /nfs/dbraw/zinc/39/89/16/382398916.db2.gz ICWJFNPZENLZFX-BZUAXINKSA-N 0 3 270.376 2.804 20 30 CFEDHN CCSCCN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000365523051 382407850 /nfs/dbraw/zinc/40/78/50/382407850.db2.gz DHLSPKFOWBPNOD-UHFFFAOYSA-N 0 3 289.448 2.823 20 30 CFEDHN OCCCCN(CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000304801824 382417652 /nfs/dbraw/zinc/41/76/52/382417652.db2.gz PFAMHVWCDANFGJ-UHFFFAOYSA-N 0 3 277.795 2.928 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(CC2CCCCC2)CC1 ZINC000305047865 382421206 /nfs/dbraw/zinc/42/12/06/382421206.db2.gz BKDUPQAZIZLSSP-KRWDZBQOSA-N 0 3 280.456 2.511 20 30 CFEDHN C=CCCCCCN1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000365842347 382453300 /nfs/dbraw/zinc/45/33/00/382453300.db2.gz BKZOOBAXCOLCGD-UHFFFAOYSA-N 0 3 289.423 2.929 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000188706058 382460590 /nfs/dbraw/zinc/46/05/90/382460590.db2.gz KSGVJMSKGKDQKW-VNHYZAJKSA-N 0 3 252.402 2.530 20 30 CFEDHN C=CCC1(CNC(=O)N(C)C[C@H]2CCCN2C)CCCC1 ZINC000420838733 382472375 /nfs/dbraw/zinc/47/23/75/382472375.db2.gz GXJRKSIVBXCYSB-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)CN1CCC(C)CC1 ZINC000353110574 382494062 /nfs/dbraw/zinc/49/40/62/382494062.db2.gz JOOTVOQRFHLFIE-UHFFFAOYSA-N 0 3 290.407 2.569 20 30 CFEDHN CCOC[C@H](NCc1ccc(C#N)s1)C(C)C ZINC000188865583 382494329 /nfs/dbraw/zinc/49/43/29/382494329.db2.gz IVLWDHFFRIUGNH-ZDUSSCGKSA-N 0 3 252.383 2.770 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccc(OC)c(F)c1 ZINC000310751944 382497853 /nfs/dbraw/zinc/49/78/53/382497853.db2.gz IMUZKVHSUNYEBL-LLVKDONJSA-N 0 3 253.317 2.688 20 30 CFEDHN N#CCC1(CNCc2cncc(Br)c2)CC1 ZINC000309561459 382488979 /nfs/dbraw/zinc/48/89/79/382488979.db2.gz OXGYGVYNHPSQAT-UHFFFAOYSA-N 0 3 280.169 2.628 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[C@@H]21 ZINC000353043572 382490035 /nfs/dbraw/zinc/49/00/35/382490035.db2.gz ZPDCXGLFADMAFH-BBWFWOEESA-N 0 3 287.403 2.639 20 30 CFEDHN CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353066757 382490479 /nfs/dbraw/zinc/49/04/79/382490479.db2.gz CHADZPCZTNKHHD-AEFFLSMTSA-N 0 3 299.418 2.707 20 30 CFEDHN CC#CCCN1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366532988 382525921 /nfs/dbraw/zinc/52/59/21/382525921.db2.gz GORRZLCDNZUBPD-LSDHHAIUSA-N 0 3 292.423 2.731 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H](C)C[C@H](CO)C1 ZINC000421364345 382512905 /nfs/dbraw/zinc/51/29/05/382512905.db2.gz RTOXDTJSGWHVDO-GJZGRUSLSA-N 0 3 275.392 2.702 20 30 CFEDHN N#Cc1csc(CN2CCC[C@H](CCO)CC2)c1 ZINC000421398053 382516344 /nfs/dbraw/zinc/51/63/44/382516344.db2.gz NITNSHIGUDMBRZ-LBPRGKRZSA-N 0 3 264.394 2.604 20 30 CFEDHN C=CCOc1ccc(CN2CCC(C)(CO)CC2)cc1 ZINC000358278977 382542951 /nfs/dbraw/zinc/54/29/51/382542951.db2.gz NXPIVXHVDSNXIG-UHFFFAOYSA-N 0 3 275.392 2.846 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000294909023 382543044 /nfs/dbraw/zinc/54/30/44/382543044.db2.gz GCKCODOVXASIES-ZDUSSCGKSA-N 0 3 289.810 2.817 20 30 CFEDHN C[C@H](C1CCC1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000325507669 382544024 /nfs/dbraw/zinc/54/40/24/382544024.db2.gz DFNCHCQMTKPSPQ-GFCCVEGCSA-N 0 3 271.364 2.617 20 30 CFEDHN C=C[C@H](C)N[C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000358287085 382548719 /nfs/dbraw/zinc/54/87/19/382548719.db2.gz AFPPAFXLMGVDMJ-RYUDHWBXSA-N 0 3 282.409 2.673 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCN1CCC ZINC000358308907 382560396 /nfs/dbraw/zinc/56/03/96/382560396.db2.gz HQWBJCASDXGFMQ-CABCVRRESA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@]1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CCC(=O)NC1 ZINC000328671897 382562786 /nfs/dbraw/zinc/56/27/86/382562786.db2.gz NSOIBCRGFSMBKL-LRDDRELGSA-N 0 3 293.411 2.716 20 30 CFEDHN N#CC(C(=O)c1cc2ccsc2[nH]1)c1ccncn1 ZINC000680618822 542343276 /nfs/dbraw/zinc/34/32/76/542343276.db2.gz XFOVQBWWKNFTFS-SECBINFHSA-N 0 3 268.301 2.509 20 30 CFEDHN C[C@@H]1CN(C)C[C@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000358331419 382572235 /nfs/dbraw/zinc/57/22/35/382572235.db2.gz SQBUZWLCVPMWRD-VNQPRFMTSA-N 0 3 257.381 2.571 20 30 CFEDHN C[C@@H]1CN(C)C[C@@H]1N[C@H](CCC#N)c1ccccc1 ZINC000358331415 382572678 /nfs/dbraw/zinc/57/26/78/382572678.db2.gz SQBUZWLCVPMWRD-BMFZPTHFSA-N 0 3 257.381 2.571 20 30 CFEDHN COc1cc(CNCCc2scnc2C)ccc1C#N ZINC000295091228 382573110 /nfs/dbraw/zinc/57/31/10/382573110.db2.gz TVDHZHZWOZOLGM-UHFFFAOYSA-N 0 3 287.388 2.664 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@@H](C)N2CCCC[C@@H]2C)n1 ZINC000346822804 382530444 /nfs/dbraw/zinc/53/04/44/382530444.db2.gz FHXSEQZZJYGIDI-UONOGXRCSA-N 0 3 272.396 2.937 20 30 CFEDHN C#CCCN1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367782361 382586806 /nfs/dbraw/zinc/58/68/06/382586806.db2.gz KHIKCARIVSJYJA-UHFFFAOYSA-N 0 3 251.333 2.675 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H]1CC[C@@H](C)O1 ZINC000398112222 382634963 /nfs/dbraw/zinc/63/49/63/382634963.db2.gz NMHDPXCKSUYEGZ-UKRRQHHQSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000295304677 382612732 /nfs/dbraw/zinc/61/27/32/382612732.db2.gz KIKFQNISPKMXLB-ZBFHGGJFSA-N 0 3 286.419 2.835 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000189494578 382616303 /nfs/dbraw/zinc/61/63/03/382616303.db2.gz VOUBGUHLFYWPQM-HOTGVXAUSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCC[C@H](C(=O)NCCN(C)CC)c1ccccc1 ZINC000189498749 382616788 /nfs/dbraw/zinc/61/67/88/382616788.db2.gz INDSCFDVANASID-INIZCTEOSA-N 0 3 274.408 2.804 20 30 CFEDHN CO[C@H](C)CN(Cc1ccc(C#N)cc1F)C(C)C ZINC000353766761 382628748 /nfs/dbraw/zinc/62/87/48/382628748.db2.gz IEVQCPXSQDHDGH-GFCCVEGCSA-N 0 3 264.344 2.943 20 30 CFEDHN CCN(CCNCc1cc(C#N)n(C)c1)c1cccc(C)c1 ZINC000190693143 382677880 /nfs/dbraw/zinc/67/78/80/382677880.db2.gz DXPTZNCMSHQXDC-UHFFFAOYSA-N 0 3 296.418 2.821 20 30 CFEDHN Cc1cc(CNCc2cc(C#N)n(C)c2)ccc1F ZINC000190713666 382678651 /nfs/dbraw/zinc/67/86/51/382678651.db2.gz SCYOHVYOTHWZJY-UHFFFAOYSA-N 0 3 257.312 2.634 20 30 CFEDHN CC[C@@H]1CN(Cc2ccc(CC#N)cc2)CCCO1 ZINC000398973940 382636713 /nfs/dbraw/zinc/63/67/13/382636713.db2.gz APUNHFMJDBVPSR-MRXNPFEDSA-N 0 3 258.365 2.754 20 30 CFEDHN C[C@H](CNCc1cc(C#N)n(C)c1)Oc1ccc(F)cc1 ZINC000191223146 382696431 /nfs/dbraw/zinc/69/64/31/382696431.db2.gz GTGIBQBJVYHNTN-GFCCVEGCSA-N 0 3 287.338 2.593 20 30 CFEDHN COc1cccc2c1OC[C@H](N[C@H]1CCC[C@H](C#N)C1)C2 ZINC000192817014 382712706 /nfs/dbraw/zinc/71/27/06/382712706.db2.gz ICSBEMHSPIBVEO-AEGPPILISA-N 0 3 286.375 2.671 20 30 CFEDHN CC(C)C[C@H](C)N1CCN(c2cnccc2C#N)CC1 ZINC000574999823 382722978 /nfs/dbraw/zinc/72/29/78/382722978.db2.gz VGHKRSBDCAGIQV-AWEZNQCLSA-N 0 3 272.396 2.510 20 30 CFEDHN CCCN(CC(=O)Nc1cccc(C#N)c1)CC(C)C ZINC000336840096 382730871 /nfs/dbraw/zinc/73/08/71/382730871.db2.gz PJYDIARZYKLKCT-UHFFFAOYSA-N 0 3 273.380 2.865 20 30 CFEDHN C[C@@H]1CCCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000194007450 382732350 /nfs/dbraw/zinc/73/23/50/382732350.db2.gz ZAEFPLHCRCJCOL-ZYHUDNBSSA-N 0 3 277.393 2.727 20 30 CFEDHN C=CCN(CCCc1ccccc1OC)CCOC ZINC000191093542 382691008 /nfs/dbraw/zinc/69/10/08/382691008.db2.gz HKHNEFDUGOCHRR-UHFFFAOYSA-N 0 3 263.381 2.762 20 30 CFEDHN CCC[C@@]1(COC)CCCN1Cc1ccc(C#N)o1 ZINC000195198175 382763730 /nfs/dbraw/zinc/76/37/30/382763730.db2.gz KLQYQPTXFVEACL-HNNXBMFYSA-N 0 3 262.353 2.932 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@](C)(c3ccccc3)C2)C1=O ZINC000337132768 382765558 /nfs/dbraw/zinc/76/55/58/382765558.db2.gz ANBPAUWYBYHDQF-MJGOQNOKSA-N 0 3 298.430 2.827 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2CCc2ccccc2)C1=O ZINC000337136238 382766349 /nfs/dbraw/zinc/76/63/49/382766349.db2.gz NALLVBKZEGSGDW-ZWKOTPCHSA-N 0 3 298.430 2.871 20 30 CFEDHN N#CC1(CCCN2CCC[C@H]3COCC[C@@H]32)CCOCC1 ZINC000337197367 382775248 /nfs/dbraw/zinc/77/52/48/382775248.db2.gz XAJGXPSIZMKILX-HOTGVXAUSA-N 0 3 292.423 2.588 20 30 CFEDHN CC[C@@]1(C)CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337206347 382776692 /nfs/dbraw/zinc/77/66/92/382776692.db2.gz MHQJQDSIYZNEAA-HNNXBMFYSA-N 0 3 280.412 2.588 20 30 CFEDHN C=CCN1CC[C@H](N(C)C[C@@H]2CCc3ccccc3C2)C1=O ZINC000337224932 382780426 /nfs/dbraw/zinc/78/04/26/382780426.db2.gz NWARYVNRXVGNHQ-QAPCUYQASA-N 0 3 298.430 2.510 20 30 CFEDHN N#CCCCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000337231193 382781144 /nfs/dbraw/zinc/78/11/44/382781144.db2.gz UGTUNBKTLUOSER-LBPRGKRZSA-N 0 3 270.735 2.796 20 30 CFEDHN C=CCN1CC[C@H](N(C)CC[C@H]2CCC[C@@H](C)C2)C1=O ZINC000337229358 382781226 /nfs/dbraw/zinc/78/12/26/382781226.db2.gz RTMHNYHXXGQMDV-OAGGEKHMSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCCN1CCCC[C@@H]1C ZINC000337256667 382787294 /nfs/dbraw/zinc/78/72/94/382787294.db2.gz SOFXNMAPKODZKN-UONOGXRCSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCOc1ccccc1CNC[C@]1(O)CCC[C@@H]1C ZINC000336906610 382740518 /nfs/dbraw/zinc/74/05/18/382740518.db2.gz YEFADFNBCWXRTO-WMLDXEAASA-N 0 3 275.392 2.892 20 30 CFEDHN C[C@@H](NCc1cccc(C#N)c1F)C1CCOCC1 ZINC000223841071 382807329 /nfs/dbraw/zinc/80/73/29/382807329.db2.gz MMNNVOLPSNNQGO-LLVKDONJSA-N 0 3 262.328 2.602 20 30 CFEDHN C=CCC[C@H](C)NCc1cc(S(C)(=O)=O)ccc1F ZINC000337358512 382809174 /nfs/dbraw/zinc/80/91/74/382809174.db2.gz BVBWGTLFYIXLGI-NSHDSACASA-N 0 3 285.384 2.674 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC1(C)C)C(C)C ZINC000337375503 382811320 /nfs/dbraw/zinc/81/13/20/382811320.db2.gz GLGUKEUBZZROLY-LSDHHAIUSA-N 0 3 278.440 2.847 20 30 CFEDHN C[C@H]1CC[C@H](C)N1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000576180050 382813536 /nfs/dbraw/zinc/81/35/36/382813536.db2.gz MRJFZWIKBNOHIL-KBPBESRZSA-N 0 3 297.402 2.536 20 30 CFEDHN CC(C)(C)C[C@@H](O)CNCc1ccc(C#N)cc1F ZINC000227597593 382838093 /nfs/dbraw/zinc/83/80/93/382838093.db2.gz GOLCSSIOKQGIOL-CYBMUJFWSA-N 0 3 264.344 2.584 20 30 CFEDHN CCC(C)(C)CCN1CCN(c2ncccc2C#N)CC1 ZINC000441252993 382903521 /nfs/dbraw/zinc/90/35/21/382903521.db2.gz XACJDZBYOGUTFH-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CCCC#N ZINC000493988397 382907664 /nfs/dbraw/zinc/90/76/64/382907664.db2.gz HKCPUHDDDOHNPF-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)N1C ZINC000235586853 382883426 /nfs/dbraw/zinc/88/34/26/382883426.db2.gz QAXLLEAAAQJVPD-KBPBESRZSA-N 0 3 251.418 2.731 20 30 CFEDHN CCC(C)(C)CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000441219362 382901214 /nfs/dbraw/zinc/90/12/14/382901214.db2.gz POFNZEFRDPQSCL-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN COc1ccccc1[C@H](CN[C@@H]1CC[C@@H](C#N)C1)N(C)C ZINC000442633304 382938607 /nfs/dbraw/zinc/93/86/07/382938607.db2.gz INJDFDQAAZMPCU-FMKPAKJESA-N 0 3 287.407 2.580 20 30 CFEDHN CCCOc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000442795886 382957987 /nfs/dbraw/zinc/95/79/87/382957987.db2.gz VAKYHAGNJGLYHP-TZMCWYRMSA-N 0 3 259.353 2.652 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCCOc2ncccc2C(F)(F)F)C1 ZINC000442843137 382960282 /nfs/dbraw/zinc/96/02/82/382960282.db2.gz PSQYGHUSKWUERS-MNOVXSKESA-N 0 3 299.296 2.761 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(C)C)CC1 ZINC000441487391 382917414 /nfs/dbraw/zinc/91/74/14/382917414.db2.gz OIIPMTMVDUITNU-HNNXBMFYSA-N 0 3 278.440 2.944 20 30 CFEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000442871006 382962607 /nfs/dbraw/zinc/96/26/07/382962607.db2.gz LFMJIDGBGISTHY-MISXGVKJSA-N 0 3 260.312 2.931 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1cnc(-c2ccccc2)nc1 ZINC000578427224 382919709 /nfs/dbraw/zinc/91/97/09/382919709.db2.gz SAHXDIPVGJKXCQ-CVEARBPZSA-N 0 3 281.359 2.577 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000494712073 382922400 /nfs/dbraw/zinc/92/24/00/382922400.db2.gz USNOGCLIIHPRIM-BZUAXINKSA-N 0 3 293.455 2.857 20 30 CFEDHN CC(C#N)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000578540746 382931493 /nfs/dbraw/zinc/93/14/93/382931493.db2.gz JFVJZRIXCLXNPV-RYUDHWBXSA-N 0 3 291.782 2.537 20 30 CFEDHN CC(C#N)C(=O)NCCc1cn(C)c2cc(Cl)ccc12 ZINC000444431532 382973331 /nfs/dbraw/zinc/97/33/31/382973331.db2.gz LJNKJDCJDOVCKA-JTQLQIEISA-N 0 3 289.766 2.650 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000338288148 382977383 /nfs/dbraw/zinc/97/73/83/382977383.db2.gz CKELZJOVHPUEHX-CHWSQXEVSA-N 0 3 274.364 2.544 20 30 CFEDHN C[C@@]1(CO)CCCN1CC#Cc1cccc(Cl)c1 ZINC000545395904 382977534 /nfs/dbraw/zinc/97/75/34/382977534.db2.gz KJOVLQFXOBOKFS-HNNXBMFYSA-N 0 3 263.768 2.538 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC[C@@H](C(C)C)C1 ZINC000444754597 382978832 /nfs/dbraw/zinc/97/88/32/382978832.db2.gz UKXWRUOPELPIIT-OAHLLOKOSA-N 0 3 264.413 2.555 20 30 CFEDHN C=CCCCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444736525 382979101 /nfs/dbraw/zinc/97/91/01/382979101.db2.gz WHHMBLRSXAJDPT-GHMZBOCLSA-N 0 3 251.292 2.588 20 30 CFEDHN CCC[C@@]1(CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000444768605 382980560 /nfs/dbraw/zinc/98/05/60/382980560.db2.gz FHLIKXRZZYWTBZ-KRWDZBQOSA-N 0 3 275.367 2.804 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NCCCC)CCCC1(C)C ZINC000444779068 382981486 /nfs/dbraw/zinc/98/14/86/382981486.db2.gz XUPAGUFNCHHGCP-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CC[C@H]1N(CC(=O)NCCC)CCCC1(C)C ZINC000444786460 382981577 /nfs/dbraw/zinc/98/15/77/382981577.db2.gz USQHYRFNPSBNSA-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCC[C@@H](C)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444794497 382981735 /nfs/dbraw/zinc/98/17/35/382981735.db2.gz KEFSCGZGOHPHTO-KGLIPLIRSA-N 0 3 273.442 2.630 20 30 CFEDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1Cl ZINC000338299061 382982132 /nfs/dbraw/zinc/98/21/32/382982132.db2.gz XSNYZLBUTOHPGH-WDEREUQCSA-N 0 3 294.782 2.889 20 30 CFEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CN1CC[C@H](C)C1 ZINC000548830123 382985912 /nfs/dbraw/zinc/98/59/12/382985912.db2.gz VGNLZMQYFWQWNR-HNNXBMFYSA-N 0 3 299.418 2.637 20 30 CFEDHN C=CCCCCCN(C)C(=O)NCC1(N(C)C)CCC1 ZINC000445873913 382986543 /nfs/dbraw/zinc/98/65/43/382986543.db2.gz GZXPOSGZWCAMIA-UHFFFAOYSA-N 0 3 281.444 2.859 20 30 CFEDHN CCCOc1cc(C)ccc1CNC(=O)C(C)C#N ZINC000446703344 382990793 /nfs/dbraw/zinc/99/07/93/382990793.db2.gz XRLDHXYGVCZHOP-GFCCVEGCSA-N 0 3 260.337 2.560 20 30 CFEDHN C[C@@H]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000245514152 383003854 /nfs/dbraw/zinc/00/38/54/383003854.db2.gz BLQDWYJEIFFSAI-KEYYUXOJSA-N 0 3 297.402 2.784 20 30 CFEDHN C=CCOCCN1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000495650443 383007701 /nfs/dbraw/zinc/00/77/01/383007701.db2.gz IIEIURPKUHWNMD-AWEZNQCLSA-N 0 3 298.427 2.568 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000447975813 383036558 /nfs/dbraw/zinc/03/65/58/383036558.db2.gz ICBUMQUETBGOKS-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CCCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000447975816 383037002 /nfs/dbraw/zinc/03/70/02/383037002.db2.gz ICBUMQUETBGOKS-ZIAGYGMSSA-N 0 3 267.417 2.515 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448255601 383050960 /nfs/dbraw/zinc/05/09/60/383050960.db2.gz JKGBTVQYXJLWGE-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN CCOC(=O)[C@@]1(C(C)C)CCN(CC#Cc2ccccc2)C1 ZINC000579795841 383052622 /nfs/dbraw/zinc/05/26/22/383052622.db2.gz UVMBRETVFMUVGK-IBGZPJMESA-N 0 3 299.414 2.949 20 30 CFEDHN CNC(=O)OC[C@H]1CCCCN1CCCCC(C)(C)C#N ZINC000496084724 383062183 /nfs/dbraw/zinc/06/21/83/383062183.db2.gz VYARXFIZKGBTSK-CQSZACIVSA-N 0 3 295.427 2.917 20 30 CFEDHN CN1CCN(Cc2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000579550663 383027389 /nfs/dbraw/zinc/02/73/89/383027389.db2.gz MVWUSZUHDGMNCW-SJLPKXTDSA-N 0 3 298.434 2.538 20 30 CFEDHN CC(C)c1ccc(O[C@H](C)CNC(=O)C(C)C#N)cc1 ZINC000554022682 383122311 /nfs/dbraw/zinc/12/23/11/383122311.db2.gz JJXYMKQXPWXVCR-CHWSQXEVSA-N 0 3 274.364 2.853 20 30 CFEDHN C=CCCN1CCCC[C@H]1COC(=O)NCCC ZINC000496757001 383124535 /nfs/dbraw/zinc/12/45/35/383124535.db2.gz UNKDWMUBPXFMJJ-ZDUSSCGKSA-N 0 3 254.374 2.553 20 30 CFEDHN CNC(=O)OC[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000496744398 383124562 /nfs/dbraw/zinc/12/45/62/383124562.db2.gz XWHVPKDPEZRJNK-ZDUSSCGKSA-N 0 3 281.400 2.527 20 30 CFEDHN C=CC[C@H](CC)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000500808912 383136351 /nfs/dbraw/zinc/13/63/51/383136351.db2.gz FDHHBWXDBLNGKB-KBPBESRZSA-N 0 3 280.799 2.681 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H](CC)CCCC)C1=O ZINC000499993993 383136503 /nfs/dbraw/zinc/13/65/03/383136503.db2.gz DPTLYNJOIANARX-HUUCEWRRSA-N 0 3 266.429 2.922 20 30 CFEDHN C[C@H](C(=O)NCc1ccc(CC#N)cc1)N1[C@H](C)CC[C@H]1C ZINC000581013731 383082049 /nfs/dbraw/zinc/08/20/49/383082049.db2.gz FICNFVNILCXOHA-RBSFLKMASA-N 0 3 299.418 2.630 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000582120909 383085178 /nfs/dbraw/zinc/08/51/78/383085178.db2.gz YEULVHLHFLUQRA-HOCLYGCPSA-N 0 3 287.407 2.609 20 30 CFEDHN C=CCCCCN1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000583303602 383089182 /nfs/dbraw/zinc/08/91/82/383089182.db2.gz JVWFUTXELBXXOA-MJBXVCDLSA-N 0 3 251.370 2.616 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cnc(-c3ccccc3)nc2)C1 ZINC000583866359 383093852 /nfs/dbraw/zinc/09/38/52/383093852.db2.gz ZBRCPWODLMEVJR-CJNGLKHVSA-N 0 3 278.359 2.925 20 30 CFEDHN C[C@H](C#N)CNC1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000496418056 383099762 /nfs/dbraw/zinc/09/97/62/383099762.db2.gz STTCZSYSBYEKDT-IYXRBSQSSA-N 0 3 295.427 2.819 20 30 CFEDHN C[C@@H](CCC#N)N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496542573 383113468 /nfs/dbraw/zinc/11/34/68/383113468.db2.gz LOPVMSHAZJCBOH-MELADBBJSA-N 0 3 295.427 2.914 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000247115604 383145112 /nfs/dbraw/zinc/14/51/12/383145112.db2.gz YPNAGGONYTZDPT-HLLBOEOZSA-N 0 3 286.419 2.803 20 30 CFEDHN CC[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(C#N)cc1 ZINC000423488338 383117747 /nfs/dbraw/zinc/11/77/47/383117747.db2.gz VHSSTGIATGTEGK-KGLIPLIRSA-N 0 3 279.334 2.596 20 30 CFEDHN CCOC(=O)C(C)(C)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339188758 383182696 /nfs/dbraw/zinc/18/26/96/383182696.db2.gz LGWLQGKKOPWKJJ-HIFRSBDPSA-N 0 3 292.423 2.980 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2n[nH]cc2c1 ZINC000339195397 383183272 /nfs/dbraw/zinc/18/32/72/383183272.db2.gz ODZBHZLGCUCDOY-COPLHBTASA-N 0 3 254.337 2.906 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(OC)cc1F ZINC000566338763 383185959 /nfs/dbraw/zinc/18/59/59/383185959.db2.gz GBMDIHWRCIMUIJ-CABCVRRESA-N 0 3 265.328 2.658 20 30 CFEDHN C#CCCCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280487542 194856759 /nfs/dbraw/zinc/85/67/59/194856759.db2.gz LZDXJPFDSDNZRV-LBPRGKRZSA-N 0 3 287.281 2.622 20 30 CFEDHN CC1(C)[C@@H]2CN(C(=O)C(C#N)CCc3ccccc3)C[C@@H]21 ZINC000555557179 383148496 /nfs/dbraw/zinc/14/84/96/383148496.db2.gz REZJAPTXAMBJCE-HRCADAONSA-N 0 3 282.387 2.873 20 30 CFEDHN CN1CCN([C@@H]2CC[C@@H](C#N)C2)CC12CCCCC2 ZINC000514738199 383154747 /nfs/dbraw/zinc/15/47/47/383154747.db2.gz VPOLVROTHKOAMX-HUUCEWRRSA-N 0 3 261.413 2.629 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000561692526 383155208 /nfs/dbraw/zinc/15/52/08/383155208.db2.gz HBJADYODWVFDLG-QLFBSQMISA-N 0 3 274.339 2.766 20 30 CFEDHN C=CCC[C@H](NCCN1CCO[C@@H](C)C1)c1ccco1 ZINC000514828128 383155690 /nfs/dbraw/zinc/15/56/90/383155690.db2.gz IEFVMTHIHNXZEJ-GJZGRUSLSA-N 0 3 278.396 2.597 20 30 CFEDHN CO[C@@H]1CC[C@H]2OCCN(CC(C)(C)CCC#N)[C@@H]2C1 ZINC000247258889 383156665 /nfs/dbraw/zinc/15/66/65/383156665.db2.gz XNZYOXUUQKQGFU-RBSFLKMASA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000514940322 383156829 /nfs/dbraw/zinc/15/68/29/383156829.db2.gz OHIVXYQXDAGVML-IRXDYDNUSA-N 0 3 290.451 2.969 20 30 CFEDHN C=CCCCC[C@@H](C)N[C@H](C(N)=O)c1ccccc1 ZINC000449075818 383163306 /nfs/dbraw/zinc/16/33/06/383163306.db2.gz SCEYLDGBMDQPEW-HIFRSBDPSA-N 0 3 260.381 2.938 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000563026831 383164866 /nfs/dbraw/zinc/16/48/66/383164866.db2.gz KHOAFYYWVTXYEU-WCXIOVBPSA-N 0 3 293.370 2.545 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@H](C)C2CCCCC2)C1=O ZINC000339153759 383168565 /nfs/dbraw/zinc/16/85/65/383168565.db2.gz KWTNVGGXSFIOHC-GOEBONIOSA-N 0 3 278.440 2.922 20 30 CFEDHN C[C@@H](CN1CCC[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC000247396012 383169480 /nfs/dbraw/zinc/16/94/80/383169480.db2.gz WNBVGNIWTUOFRL-OLZOCXBDSA-N 0 3 277.437 2.830 20 30 CFEDHN CCC[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000248574876 383262886 /nfs/dbraw/zinc/26/28/86/383262886.db2.gz GYAVNLUQTUNTKH-GOEBONIOSA-N 0 3 279.428 2.695 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C(CC)CC)C1CC1 ZINC000520596916 383265423 /nfs/dbraw/zinc/26/54/23/383265423.db2.gz JUDLZWQUDVJWLY-UHFFFAOYSA-N 0 3 264.413 2.840 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000248617960 383271986 /nfs/dbraw/zinc/27/19/86/383271986.db2.gz JPRLGLQRYRMQMM-SOUVJXGZSA-N 0 3 264.413 2.531 20 30 CFEDHN N#Cc1cnc(N[C@@H]2CCN(C3CCCC3)C2)c(F)c1 ZINC000520757880 383272662 /nfs/dbraw/zinc/27/26/62/383272662.db2.gz BLQDIXRTCRDHNS-GFCCVEGCSA-N 0 3 274.343 2.521 20 30 CFEDHN CO[C@]1(C)C[C@H](NCc2ccccc2C#N)C1(C)C ZINC000339497150 383217306 /nfs/dbraw/zinc/21/73/06/383217306.db2.gz FJSTTZGPPPMBPF-GOEBONIOSA-N 0 3 258.365 2.851 20 30 CFEDHN C=C(C)C(C)(C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000424658595 383222584 /nfs/dbraw/zinc/22/25/84/383222584.db2.gz GVIYVLFTKFAKNQ-OKILXGFUSA-N 0 3 266.429 2.968 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000566980877 383232033 /nfs/dbraw/zinc/23/20/33/383232033.db2.gz BZVCAYHPVTZREV-XJKSGUPXSA-N 0 3 272.392 2.592 20 30 CFEDHN CC(C)[C@@H]1C[C@H](CNCc2ccc(C#N)o2)CCO1 ZINC000449489532 383327568 /nfs/dbraw/zinc/32/75/68/383327568.db2.gz AIOPVCTUBNZLSJ-DOMZBBRYSA-N 0 3 262.353 2.692 20 30 CFEDHN C=CCC(C)(C)C(=O)N1CCCN(C(C)C)CC1 ZINC000339856446 383340857 /nfs/dbraw/zinc/34/08/57/383340857.db2.gz LHLHKLPBLRXLAI-UHFFFAOYSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCCCN(C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000466780242 383343974 /nfs/dbraw/zinc/34/39/74/383343974.db2.gz TYUWQPOTAKDUPO-GOEBONIOSA-N 0 3 293.455 2.857 20 30 CFEDHN Cn1cc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000248813252 383293012 /nfs/dbraw/zinc/29/30/12/383293012.db2.gz DCAZLEBQKZFRED-GOEBONIOSA-N 0 3 299.374 2.578 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@H]1CCCC[C@H]1O ZINC000248846896 383297489 /nfs/dbraw/zinc/29/74/89/383297489.db2.gz NKDPBISFWBXEJU-GDBMZVCRSA-N 0 3 276.355 2.680 20 30 CFEDHN CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCC[C@H]1O ZINC000248846897 383297603 /nfs/dbraw/zinc/29/76/03/383297603.db2.gz NKDPBISFWBXEJU-GOEBONIOSA-N 0 3 276.355 2.680 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2COc3ccccc3C2)C1 ZINC000248846079 383297833 /nfs/dbraw/zinc/29/78/33/383297833.db2.gz OHBVXQZFOGQOPS-BPLDGKMQSA-N 0 3 256.349 2.662 20 30 CFEDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1 ZINC000449513389 383348334 /nfs/dbraw/zinc/34/83/34/383348334.db2.gz SHKDWPRTBAVIED-CVEARBPZSA-N 0 3 286.375 2.770 20 30 CFEDHN C=CCN1CCC(N=c2[nH]c3cc(C)cc(C)c3o2)CC1 ZINC000450317743 383389397 /nfs/dbraw/zinc/38/93/97/383389397.db2.gz LMNIFZMICGSNIK-UHFFFAOYSA-N 0 3 285.391 2.929 20 30 CFEDHN C=CCCCCN1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000568474739 383405556 /nfs/dbraw/zinc/40/55/56/383405556.db2.gz ODYBEURDCLTLFL-KKUMJFAQSA-N 0 3 253.386 2.611 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)ccc1OC ZINC000449549625 383355201 /nfs/dbraw/zinc/35/52/01/383355201.db2.gz ZPTICZNIGYJLRH-CABCVRRESA-N 0 3 277.364 2.527 20 30 CFEDHN C=CCC1(NCc2ccnc(OC)n2)CCCCC1 ZINC000449571961 383356854 /nfs/dbraw/zinc/35/68/54/383356854.db2.gz HXAHLRMUKRNRCZ-UHFFFAOYSA-N 0 3 261.369 2.854 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H]1CCC[C@@H](C)C1 ZINC000249705118 383356851 /nfs/dbraw/zinc/35/68/51/383356851.db2.gz AFLPITKPRSHWPG-RBSFLKMASA-N 0 3 279.428 2.505 20 30 CFEDHN C=CCC1(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CCCC1 ZINC000449885925 383369657 /nfs/dbraw/zinc/36/96/57/383369657.db2.gz IEFVRSPSETYQSX-CABCVRRESA-N 0 3 276.424 2.818 20 30 CFEDHN N#CCCCN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000568181642 383370024 /nfs/dbraw/zinc/37/00/24/383370024.db2.gz ZBPBSPXNWMAQTD-WKILWMFISA-N 0 3 288.391 2.801 20 30 CFEDHN C=CCC[C@H](C)NCC(=O)Nc1cccc(F)c1 ZINC000425342507 383374544 /nfs/dbraw/zinc/37/45/44/383374544.db2.gz APZFVXBCFLRNSO-NSHDSACASA-N 0 3 250.317 2.709 20 30 CFEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)N1Cc2ccccc2C1 ZINC000475508883 383387286 /nfs/dbraw/zinc/38/72/86/383387286.db2.gz AUPHJEDYBLAQKZ-KEYYUXOJSA-N 0 3 297.402 2.589 20 30 CFEDHN CN1CCC[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000526996312 383446315 /nfs/dbraw/zinc/44/63/15/383446315.db2.gz KJIYPJZRNOTPLK-RDJZCZTQSA-N 0 3 299.418 2.532 20 30 CFEDHN C=CCCCCCN1CCC[C@H]1C(=O)N1CCSCC1 ZINC000487871544 383482023 /nfs/dbraw/zinc/48/20/23/383482023.db2.gz AKJHMVVLWNNCFG-HNNXBMFYSA-N 0 3 296.480 2.773 20 30 CFEDHN C=CCC1(C(=O)N(C)CCN(C)C2CC2)CCCC1 ZINC000450696432 383482004 /nfs/dbraw/zinc/48/20/04/383482004.db2.gz GMRZKASTIBNQDH-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]1CC)C(C)C ZINC000487829594 383482107 /nfs/dbraw/zinc/48/21/07/383482107.db2.gz DEYSTXTZPDZIPJ-CVEARBPZSA-N 0 3 293.455 2.879 20 30 CFEDHN N#CCC[C@@H](C#N)CNC[C@@H]1CCc2ccccc21 ZINC000569255165 383482774 /nfs/dbraw/zinc/48/27/74/383482774.db2.gz IHOPEXASBSKTNK-ZFWWWQNUSA-N 0 3 253.349 2.750 20 30 CFEDHN CC(C)O[C@@]1(C)C[C@H]1NCc1cc(C#N)cs1 ZINC000527803321 383471557 /nfs/dbraw/zinc/47/15/57/383471557.db2.gz XRBQSUVWHNUYFF-OLZOCXBDSA-N 0 3 250.367 2.665 20 30 CFEDHN CCCCC[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000486790899 383475675 /nfs/dbraw/zinc/47/56/75/383475675.db2.gz ZYNCFCOBCUUORC-WBVHZDCISA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@@H](C#N)CN(CCN(C)Cc1ccccc1)C1CC1 ZINC000450611390 383477672 /nfs/dbraw/zinc/47/76/72/383477672.db2.gz INJJMURXMOEQOY-HNNXBMFYSA-N 0 3 271.408 2.742 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000568643301 383422254 /nfs/dbraw/zinc/42/22/54/383422254.db2.gz LDAFJOXBFSRBEF-GFCCVEGCSA-N 0 3 258.365 2.873 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCOC)[C@@H]1CCC[C@@H]1C ZINC000488020070 383488325 /nfs/dbraw/zinc/48/83/25/383488325.db2.gz BESRHQDSTUYZTL-JKSUJKDBSA-N 0 3 296.455 2.548 20 30 CFEDHN Cc1nc(N(CCN(C)C)Cc2ccccc2)ccc1C#N ZINC000488073886 383493545 /nfs/dbraw/zinc/49/35/45/383493545.db2.gz ANBSPXKOJOQTHR-UHFFFAOYSA-N 0 3 294.402 2.830 20 30 CFEDHN C[C@H]1CCC[C@@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000340812907 383495526 /nfs/dbraw/zinc/49/55/26/383495526.db2.gz FFEVORPDFCGNEV-WMLDXEAASA-N 0 3 299.418 2.685 20 30 CFEDHN C[C@H]1CCC[C@H](N(C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000340812918 383495791 /nfs/dbraw/zinc/49/57/91/383495791.db2.gz FFEVORPDFCGNEV-YOEHRIQHSA-N 0 3 299.418 2.685 20 30 CFEDHN CC#CCCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429240562 383506581 /nfs/dbraw/zinc/50/65/81/383506581.db2.gz JMVOQUQGAJIECA-AWEZNQCLSA-N 0 3 260.356 2.750 20 30 CFEDHN N#CCC1(CNCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000430018958 383583141 /nfs/dbraw/zinc/58/31/41/383583141.db2.gz DYQKKRJGHOTZDA-UHFFFAOYSA-N 0 3 284.338 2.795 20 30 CFEDHN N#CCC1(CNCC2=Cc3ccccc3OC2)CC1 ZINC000430039734 383585799 /nfs/dbraw/zinc/58/57/99/383585799.db2.gz FQLNQVULGBXCHJ-UHFFFAOYSA-N 0 3 254.333 2.746 20 30 CFEDHN N#C[C@@H]1CC[C@H](N2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000429692533 383558823 /nfs/dbraw/zinc/55/88/23/383558823.db2.gz UAAOVXMVDIJWNX-BMFZPTHFSA-N 0 3 255.365 2.865 20 30 CFEDHN CC(C)CCO[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429700451 383560879 /nfs/dbraw/zinc/56/08/79/383560879.db2.gz QZIMEUZQLQETIJ-RRFJBIMHSA-N 0 3 250.386 2.816 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1cccc([N+](=O)[O-])c1 ZINC000429708264 383561089 /nfs/dbraw/zinc/56/10/89/383561089.db2.gz JIELQJYWQUWCQL-UHFFFAOYSA-N 0 3 277.368 2.535 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000429835400 383572005 /nfs/dbraw/zinc/57/20/05/383572005.db2.gz ARLGQLACCUIRJI-UONOGXRCSA-N 0 3 266.429 2.825 20 30 CFEDHN C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)CC12CCC2 ZINC000570843946 383641599 /nfs/dbraw/zinc/64/15/99/383641599.db2.gz WHBNTKISZLGWJX-ZDUSSCGKSA-N 0 3 295.390 2.613 20 30 CFEDHN C=CCN(C(=O)[C@@H](N)CCC)c1nc2c(s1)CCCC2 ZINC000489945405 383644826 /nfs/dbraw/zinc/64/48/26/383644826.db2.gz IZEGQGDBRIAPIH-NSHDSACASA-N 0 3 293.436 2.668 20 30 CFEDHN N#Cc1c(F)cccc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451591156 383653314 /nfs/dbraw/zinc/65/33/14/383653314.db2.gz AAVQRLAMDDXUBZ-WBVHZDCISA-N 0 3 288.366 2.584 20 30 CFEDHN N#Cc1cccc(NC(=O)CN[C@@H]2CCC23CCCC3)c1 ZINC000451451993 383618867 /nfs/dbraw/zinc/61/88/67/383618867.db2.gz CBWUGRNUTWBBJQ-OAHLLOKOSA-N 0 3 283.375 2.809 20 30 CFEDHN C=C[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000489445438 383620115 /nfs/dbraw/zinc/62/01/15/383620115.db2.gz XVZBASREFBBNPZ-ZDUSSCGKSA-N 0 3 289.404 2.989 20 30 CFEDHN CO[C@]1(C)C[C@@H](NCc2ccc(C#N)c(F)c2)C1(C)C ZINC000451486016 383625499 /nfs/dbraw/zinc/62/54/99/383625499.db2.gz JQGRKAKZSMEWAB-GDBMZVCRSA-N 0 3 276.355 2.991 20 30 CFEDHN CCCCNC(=O)CN[C@H](CCCC#N)c1ccccc1 ZINC000433011338 383752480 /nfs/dbraw/zinc/75/24/80/383752480.db2.gz FPNBUIYQZLTEQD-MRXNPFEDSA-N 0 3 287.407 2.927 20 30 CFEDHN Cc1nc(CN[C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433022116 383753055 /nfs/dbraw/zinc/75/30/55/383753055.db2.gz ITYVUEMJDANCPU-CQSZACIVSA-N 0 3 269.352 2.638 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)C[C@H](O)Cc1ccccc1 ZINC000433073268 383754012 /nfs/dbraw/zinc/75/40/12/383754012.db2.gz RPOICHOOZHJCFH-LJQANCHMSA-N 0 3 294.398 2.788 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2C(F)(F)F)CO1 ZINC000572120599 383755780 /nfs/dbraw/zinc/75/57/80/383755780.db2.gz YPJPNCAWRUBJHS-BXKDBHETSA-N 0 3 284.281 2.844 20 30 CFEDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(C)C#N)c1 ZINC000435721176 383779479 /nfs/dbraw/zinc/77/94/79/383779479.db2.gz AYXDWEJJRYEQRM-NUEKZKHPSA-N 0 3 286.375 2.961 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(CC)s1 ZINC000435732152 383779485 /nfs/dbraw/zinc/77/94/85/383779485.db2.gz NTCBNRWZWKFENR-RISCZKNCSA-N 0 3 266.410 2.776 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)NC1CCSCC1 ZINC000433351508 383761452 /nfs/dbraw/zinc/76/14/52/383761452.db2.gz FVNVIVLEATZGOB-CQSZACIVSA-N 0 3 288.416 2.771 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](C)c2cc(C)cc(C)c2)C1=O ZINC000280930314 195033198 /nfs/dbraw/zinc/03/31/98/195033198.db2.gz DXEASDMAFCGSBK-GOEBONIOSA-N 0 3 272.392 2.741 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@]2(C)CO)cc1OC ZINC000530464068 383770973 /nfs/dbraw/zinc/77/09/73/383770973.db2.gz HZSGGZNDGYDOHK-KRWDZBQOSA-N 0 3 291.391 2.607 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(C)C)nc1C ZINC000451611561 383667425 /nfs/dbraw/zinc/66/74/25/383667425.db2.gz IYHNZQBGGREZGA-CVEARBPZSA-N 0 3 260.381 2.947 20 30 CFEDHN CC[C@@H]1CCCCN1CCNc1ncccc1C#N ZINC000265002877 383814150 /nfs/dbraw/zinc/81/41/50/383814150.db2.gz VMUVNVLHHWUMDG-CQSZACIVSA-N 0 3 258.369 2.630 20 30 CFEDHN N#Cc1ccc(NC(=O)CN(C2CCC2)C2CCC2)cc1 ZINC000572937942 383842366 /nfs/dbraw/zinc/84/23/66/383842366.db2.gz CWARXSCSZDJQMZ-UHFFFAOYSA-N 0 3 283.375 2.904 20 30 CFEDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(C)C#N)C1 ZINC000531294308 383844029 /nfs/dbraw/zinc/84/40/29/383844029.db2.gz YKSULMKODOLIIF-MGPQQGTHSA-N 0 3 256.349 2.859 20 30 CFEDHN C=CCOc1ccc(CNC[C@@H](O)C2CC2)cc1Cl ZINC000265207098 383860969 /nfs/dbraw/zinc/86/09/69/383860969.db2.gz CJKMQBZQBFUFOT-CQSZACIVSA-N 0 3 281.783 2.765 20 30 CFEDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000573061380 383864108 /nfs/dbraw/zinc/86/41/08/383864108.db2.gz MNDPOLRABJXMCE-VWYCJHECSA-N 0 3 250.317 2.771 20 30 CFEDHN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000265254861 383875190 /nfs/dbraw/zinc/87/51/90/383875190.db2.gz UKCXWVRYEYJWGZ-HOTGVXAUSA-N 0 3 276.355 2.823 20 30 CFEDHN N#CCSCCCN1CCC[C@@H]1c1ccccn1 ZINC000531201504 383832951 /nfs/dbraw/zinc/83/29/51/383832951.db2.gz ZNGJLADLOOLHOD-CQSZACIVSA-N 0 3 261.394 2.865 20 30 CFEDHN C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000437616078 383907611 /nfs/dbraw/zinc/90/76/11/383907611.db2.gz KFYTWZIVLJXTDD-ZMSDIMECSA-N 0 3 296.455 2.594 20 30 CFEDHN CC[C@@H](C)[C@@H](C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573853950 384001913 /nfs/dbraw/zinc/00/19/13/384001913.db2.gz PUOKXUAGLLDWIW-GHMZBOCLSA-N 0 3 261.325 2.991 20 30 CFEDHN C[C@@H](CN1CCCCC1)Nc1c(C#N)nnc2ccccc21 ZINC000265785539 383999433 /nfs/dbraw/zinc/99/94/33/383999433.db2.gz AEUORACBIALXJI-ZDUSSCGKSA-N 0 3 295.390 2.788 20 30 CFEDHN C=CCN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265507067 383935766 /nfs/dbraw/zinc/93/57/66/383935766.db2.gz JNLMHHXBJGRRAM-UHFFFAOYSA-N 0 3 296.758 2.706 20 30 CFEDHN CC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N(CC)CC ZINC000265639849 383966325 /nfs/dbraw/zinc/96/63/25/383966325.db2.gz VLGLAGHPLYNCQL-MRXNPFEDSA-N 0 3 287.407 2.637 20 30 CFEDHN C[C@H](NCC1([S@](C)=O)CCC1)c1ccc(C#N)c(F)c1 ZINC000281094707 195101483 /nfs/dbraw/zinc/10/14/83/195101483.db2.gz QGDHTRWUQFPBTG-YBTHPKLGSA-N 0 3 294.395 2.649 20 30 CFEDHN C#CCCOc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1 ZINC000265940511 384034141 /nfs/dbraw/zinc/03/41/41/384034141.db2.gz FSLOBERKLXWKDI-KRWDZBQOSA-N 0 3 299.370 2.813 20 30 CFEDHN N#Cc1ccc([C@H](NCC2(C3CCC3)CCC2)C(N)=O)cc1 ZINC000574180371 384058631 /nfs/dbraw/zinc/05/86/31/384058631.db2.gz ZFMVOBYXVDDQSW-INIZCTEOSA-N 0 3 297.402 2.645 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000266041245 384062817 /nfs/dbraw/zinc/06/28/17/384062817.db2.gz VWMRWEFRYHMSJX-UKRRQHHQSA-N 0 3 260.381 2.664 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637471563 384078051 /nfs/dbraw/zinc/07/80/51/384078051.db2.gz VXENNPNMPHQVED-GDBMZVCRSA-N 0 3 291.439 2.753 20 30 CFEDHN N#Cc1ccccc1OCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266930468 384262876 /nfs/dbraw/zinc/26/28/76/384262876.db2.gz OMYHBQIDWAJWFO-OAHLLOKOSA-N 0 3 296.374 2.540 20 30 CFEDHN C[C@H](COCC(F)(F)F)NCc1ccc(C#N)s1 ZINC000267144269 384307937 /nfs/dbraw/zinc/30/79/37/384307937.db2.gz AQJIVADNXRTPGD-MRVPVSSYSA-N 0 3 278.299 2.677 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000641769274 384336277 /nfs/dbraw/zinc/33/62/77/384336277.db2.gz RQUWKQTUQHFCCF-NSHDSACASA-N 0 3 272.175 2.857 20 30 CFEDHN CCN1CCCN(c2ccc(Cl)cc2C#N)CC1 ZINC000267258201 384338849 /nfs/dbraw/zinc/33/88/49/384338849.db2.gz VZSXYBPJWOQTRB-UHFFFAOYSA-N 0 3 263.772 2.744 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccnn1-c1ccccc1C ZINC000641759765 384325422 /nfs/dbraw/zinc/32/54/22/384325422.db2.gz ITXPGWIKFRSACO-HNNXBMFYSA-N 0 3 285.391 2.597 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C2CCC2)cc1 ZINC000641766875 384331740 /nfs/dbraw/zinc/33/17/40/384331740.db2.gz CUKCCQQPDFYFNH-KRWDZBQOSA-N 0 3 257.377 2.818 20 30 CFEDHN CC#CC[C@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000641767399 384333383 /nfs/dbraw/zinc/33/33/83/384333383.db2.gz KEOUVGSSINDZJL-SECBINFHSA-N 0 3 277.311 2.631 20 30 CFEDHN CC#CC[C@H](CO)NCc1cc2ccccc2c(OC)c1 ZINC000641766928 384334086 /nfs/dbraw/zinc/33/40/86/384334086.db2.gz FHHZOMPMWJSZDX-MRXNPFEDSA-N 0 3 283.371 2.712 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)CC#CC)cc1Cl ZINC000641768606 384334296 /nfs/dbraw/zinc/33/42/96/384334296.db2.gz DFOCQGFUQQZXQA-AWEZNQCLSA-N 0 3 293.794 2.769 20 30 CFEDHN COc1cccc([C@H](CNc2ccc(C#N)nc2)N(C)C)c1 ZINC000267447023 384394740 /nfs/dbraw/zinc/39/47/40/384394740.db2.gz ZZPHPSUUMLUZKZ-KRWDZBQOSA-N 0 3 296.374 2.677 20 30 CFEDHN CN(C)CCN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000267471071 384399246 /nfs/dbraw/zinc/39/92/46/384399246.db2.gz UZFFPQOGOWZDPC-UHFFFAOYSA-N 0 3 288.395 2.513 20 30 CFEDHN COc1cc([C@H](C)NCCc2cccc(C#N)c2)c(F)cn1 ZINC000348330202 220291451 /nfs/dbraw/zinc/29/14/51/220291451.db2.gz RZPUUQSGIVRASY-LBPRGKRZSA-N 0 3 299.349 2.994 20 30 CFEDHN C#CCCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289402920 197329707 /nfs/dbraw/zinc/32/97/07/197329707.db2.gz AFQCCZOERHUZRD-UHFFFAOYSA-N 0 3 255.361 2.956 20 30 CFEDHN C=CCN(CCc1cncn1C)Cc1ccccc1 ZINC000289382997 197321309 /nfs/dbraw/zinc/32/13/09/197321309.db2.gz QFXIZWPKXMWUBB-UHFFFAOYSA-N 0 3 255.365 2.651 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@]1(C)CCO[C@@H]1C1CC1 ZINC000374633499 220324669 /nfs/dbraw/zinc/32/46/69/220324669.db2.gz VVMUQJVZKPZXFC-IAGOWNOFSA-N 0 3 286.375 2.614 20 30 CFEDHN C=C(C)[C@H](NC1CCN(C=O)CC1)c1ccc(F)c(F)c1 ZINC000278358559 384540871 /nfs/dbraw/zinc/54/08/71/384540871.db2.gz BFELIWFWOQQYHC-INIZCTEOSA-N 0 3 294.345 2.792 20 30 CFEDHN CC(C)OCCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000268219762 384569441 /nfs/dbraw/zinc/56/94/41/384569441.db2.gz MBIJJGPIXPRNBW-UHFFFAOYSA-N 0 3 264.344 2.944 20 30 CFEDHN C#C[C@H](C)NCC1=Cc2cc(Br)ccc2OC1 ZINC000289317687 197294462 /nfs/dbraw/zinc/29/44/62/197294462.db2.gz FLCHIVLCZHDUPD-JTQLQIEISA-N 0 3 292.176 2.836 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1ncc(C)o1)C(C)C ZINC000638356254 384578804 /nfs/dbraw/zinc/57/88/04/384578804.db2.gz FWYNCZIDQQDDMF-OAHLLOKOSA-N 0 3 277.412 2.771 20 30 CFEDHN C#C[C@@H](NCc1ccc(Cl)cc1-n1cncn1)C(C)C ZINC000289336274 197300636 /nfs/dbraw/zinc/30/06/36/197300636.db2.gz HFVFDMNFSWGDON-CQSZACIVSA-N 0 3 288.782 2.668 20 30 CFEDHN CC#CCN1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268342527 384608637 /nfs/dbraw/zinc/60/86/37/384608637.db2.gz AMYIJAGCIAVNTO-GJZGRUSLSA-N 0 3 261.365 2.971 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000279366610 384613766 /nfs/dbraw/zinc/61/37/66/384613766.db2.gz WTOCLKLKFAFUSX-CHWSQXEVSA-N 0 3 293.794 2.869 20 30 CFEDHN Cc1cccc(CN(CCN(C)C)c2ncccc2C#N)c1 ZINC000268363919 384615629 /nfs/dbraw/zinc/61/56/29/384615629.db2.gz XKKZPKFELFMCJZ-UHFFFAOYSA-N 0 3 294.402 2.830 20 30 CFEDHN N#CCCCNCc1csc(Br)c1 ZINC000269317268 384747803 /nfs/dbraw/zinc/74/78/03/384747803.db2.gz BPVRIOFRTXFONT-UHFFFAOYSA-N 0 3 259.172 2.904 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C(=O)CN(C)C(C)C ZINC000279932978 384817845 /nfs/dbraw/zinc/81/78/45/384817845.db2.gz JFGAOSSVFRENJS-UHFFFAOYSA-N 0 3 274.408 2.932 20 30 CFEDHN CCN(CCC#N)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000269670776 384827587 /nfs/dbraw/zinc/82/75/87/384827587.db2.gz XESVFMAQXDYWHD-UHFFFAOYSA-N 0 3 285.391 2.658 20 30 CFEDHN C=CCn1cc(CN[C@@H]2CCCc3ccccc3C2)nn1 ZINC000643902065 384786178 /nfs/dbraw/zinc/78/61/78/384786178.db2.gz NEPJBJYEAFKXFP-MRXNPFEDSA-N 0 3 282.391 2.501 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCN1CC#Cc1ccc(Cl)cc1 ZINC000269794191 384869692 /nfs/dbraw/zinc/86/96/92/384869692.db2.gz KICDSPJRVMFXSE-CJNGLKHVSA-N 0 3 277.795 2.927 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000269704287 384843514 /nfs/dbraw/zinc/84/35/14/384843514.db2.gz NAWBBTNYHGOVBP-HZPDHXFCSA-N 0 3 288.391 2.692 20 30 CFEDHN CCO[C@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC000270034274 384950944 /nfs/dbraw/zinc/95/09/44/384950944.db2.gz BJMMRNKYYJTUBV-HOTGVXAUSA-N 0 3 270.376 2.996 20 30 CFEDHN C#CCN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000280284008 384959048 /nfs/dbraw/zinc/95/90/48/384959048.db2.gz SRTRGPJRNMXEHJ-UHFFFAOYSA-N 0 3 253.349 2.615 20 30 CFEDHN C=CCCOCCNCc1cc2ccccc2n1C ZINC000638811827 384941716 /nfs/dbraw/zinc/94/17/16/384941716.db2.gz JYCNHRANMCRERK-UHFFFAOYSA-N 0 3 258.365 2.861 20 30 CFEDHN C[C@@H](NCc1ccc(N(C)C)nc1)c1cccc(C#N)c1 ZINC000270083092 384970001 /nfs/dbraw/zinc/97/00/01/384970001.db2.gz JVHPUDXWNQODDM-CYBMUJFWSA-N 0 3 280.375 2.870 20 30 CFEDHN CC[C@@H](C(=O)N1CCc2ccc(C#N)cc21)N(CC)CC ZINC000270231752 385023447 /nfs/dbraw/zinc/02/34/47/385023447.db2.gz MSLAZKBFMIWQMD-HNNXBMFYSA-N 0 3 285.391 2.568 20 30 CFEDHN CN(c1cccc(C#N)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000270087989 384971864 /nfs/dbraw/zinc/97/18/64/384971864.db2.gz WPHMDBGEBSPXKT-KRWDZBQOSA-N 0 3 292.386 2.664 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)C1(N)CCCCC1 ZINC000638874127 385007565 /nfs/dbraw/zinc/00/75/65/385007565.db2.gz FTCSEUWHIYSLFN-UHFFFAOYSA-N 0 3 252.402 2.757 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@@]1(N)C[C@H](OCC)C1(C)C ZINC000638875187 385008785 /nfs/dbraw/zinc/00/87/85/385008785.db2.gz OASSQKIWNZJFRK-GUYCJALGSA-N 0 3 296.455 2.628 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)[C@H](CN)c1ccccc1 ZINC000638876063 385010758 /nfs/dbraw/zinc/01/07/58/385010758.db2.gz XZAVOSBNYRVNBC-OAHLLOKOSA-N 0 3 274.408 2.838 20 30 CFEDHN C=C[C@H](CC(=O)N1CCC[C@H]1CN(C)C)c1ccccc1 ZINC000270312480 385050451 /nfs/dbraw/zinc/05/04/51/385050451.db2.gz RHTUXHKXNWRQRR-WBVHZDCISA-N 0 3 286.419 2.899 20 30 CFEDHN CC1=CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000270311862 385050643 /nfs/dbraw/zinc/05/06/43/385050643.db2.gz IXTFBEBSICQUOG-UHFFFAOYSA-N 0 3 269.348 2.539 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000280539438 385052989 /nfs/dbraw/zinc/05/29/89/385052989.db2.gz CTVWHZDHVIYXFE-SWLSCSKDSA-N 0 3 265.328 2.602 20 30 CFEDHN CN1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccccc1 ZINC000270273849 385038781 /nfs/dbraw/zinc/03/87/81/385038781.db2.gz KVVPSKIGQSVFBE-HOTGVXAUSA-N 0 3 278.359 2.811 20 30 CFEDHN C#CC[C@H](NC(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000270461575 385110634 /nfs/dbraw/zinc/11/06/34/385110634.db2.gz UENCNZRZJSLEFY-KRWDZBQOSA-N 0 3 299.418 2.535 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1N ZINC000639044985 385120814 /nfs/dbraw/zinc/12/08/14/385120814.db2.gz RZJAQHQMWGTYHS-JTQLQIEISA-N 0 3 275.179 2.602 20 30 CFEDHN COc1ccc([C@H](CO)N(C)CCC(C)(C)C#N)cc1 ZINC000270665175 385181502 /nfs/dbraw/zinc/18/15/02/385181502.db2.gz PXQDTRWJDCVQPL-HNNXBMFYSA-N 0 3 276.380 2.600 20 30 CFEDHN C#Cc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1 ZINC000289156502 197249012 /nfs/dbraw/zinc/24/90/12/197249012.db2.gz DGQBMDFISOAKRM-LBPRGKRZSA-N 0 3 253.349 2.561 20 30 CFEDHN CCc1ccc([C@@H]2CCN(CC#CCOC)C2)cc1 ZINC000645008623 385160946 /nfs/dbraw/zinc/16/09/46/385160946.db2.gz JMSDTHUCOSGFSJ-QGZVFWFLSA-N 0 3 257.377 2.688 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccccc2)C1=O ZINC000282088552 385208241 /nfs/dbraw/zinc/20/82/41/385208241.db2.gz VBNWDYMVNMURJL-CVEARBPZSA-N 0 3 270.376 2.610 20 30 CFEDHN C=CCN1CC[C@H](NC(C)(C)c2ccc(Cl)cc2)C1=O ZINC000282092788 385209462 /nfs/dbraw/zinc/20/94/62/385209462.db2.gz VIMWANABKTVKQI-AWEZNQCLSA-N 0 3 292.810 2.952 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccccc2)C1=O ZINC000282088559 385210306 /nfs/dbraw/zinc/21/03/06/385210306.db2.gz VBNWDYMVNMURJL-JKSUJKDBSA-N 0 3 270.376 2.610 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@]1(OC)CCOC1 ZINC000639121631 385220928 /nfs/dbraw/zinc/22/09/28/385220928.db2.gz TXTKBGPZFFNNDF-QGZVFWFLSA-N 0 3 275.392 2.870 20 30 CFEDHN CC[C@@]1(CO)CCCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000282141779 385224652 /nfs/dbraw/zinc/22/46/52/385224652.db2.gz CDVLHDFOVYWDGX-QGZVFWFLSA-N 0 3 288.391 2.551 20 30 CFEDHN C#C[C@H](C)N[C@@H](C)CC(=O)Nc1ccccc1CC ZINC000289083203 197230284 /nfs/dbraw/zinc/23/02/84/197230284.db2.gz BABGEEWEJYYLMK-STQMWFEESA-N 0 3 258.365 2.577 20 30 CFEDHN C=CCOc1ccc(CN(CCO)C2CC2)cc1Cl ZINC000271061430 385324035 /nfs/dbraw/zinc/32/40/35/385324035.db2.gz HBPJPVJQTSSRAK-UHFFFAOYSA-N 0 3 281.783 2.862 20 30 CFEDHN COc1ccc2c(c1)OC[C@H](NCc1cccc(C#N)c1)C2 ZINC000270958050 385283638 /nfs/dbraw/zinc/28/36/38/385283638.db2.gz ACFDJIMCRWSHOX-MRXNPFEDSA-N 0 3 294.354 2.660 20 30 CFEDHN C#CCCCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000270966099 385284152 /nfs/dbraw/zinc/28/41/52/385284152.db2.gz OUTXMAGLDJJNFF-CQSZACIVSA-N 0 3 296.208 2.828 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC(c2ncc[nH]2)CC1 ZINC000271012293 385301883 /nfs/dbraw/zinc/30/18/83/385301883.db2.gz HZLIADJEPLQLHF-UHFFFAOYSA-N 0 3 296.374 2.670 20 30 CFEDHN C=C1CCN(Cc2ccc(OCCOC)cc2)CC1 ZINC000271168728 385360951 /nfs/dbraw/zinc/36/09/51/385360951.db2.gz ORNNYQJTLXEHDH-UHFFFAOYSA-N 0 3 261.365 2.864 20 30 CFEDHN CCCN(Cc1ccc(C#N)s1)CC(C)(C)O ZINC000271185374 385367273 /nfs/dbraw/zinc/36/72/73/385367273.db2.gz ZFGMLADKSFGNAL-UHFFFAOYSA-N 0 3 252.383 2.603 20 30 CFEDHN C#CCCCN1CCN(c2cncc3ccccc32)CC1 ZINC000282715895 385375937 /nfs/dbraw/zinc/37/59/37/385375937.db2.gz BQTMHETYOGEUTC-UHFFFAOYSA-N 0 3 279.387 2.770 20 30 CFEDHN C=CCn1cc(CNC[C@]2(C)C[C@H]2c2ccccc2)nn1 ZINC000639274948 385403751 /nfs/dbraw/zinc/40/37/51/385403751.db2.gz MJLUOCURAOIMJX-IRXDYDNUSA-N 0 3 282.391 2.748 20 30 CFEDHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000271955861 385409896 /nfs/dbraw/zinc/40/98/96/385409896.db2.gz PXGUKIFFSCSIKG-ABAIWWIYSA-N 0 3 288.322 2.983 20 30 CFEDHN C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963245 385412849 /nfs/dbraw/zinc/41/28/49/385412849.db2.gz RTDQSEYYCCTRSP-TYNCELHUSA-N 0 3 287.382 2.973 20 30 CFEDHN CC(C)[C@@H](O)C1(CNCc2ccc(C#N)cc2F)CC1 ZINC000271973828 385415481 /nfs/dbraw/zinc/41/54/81/385415481.db2.gz IFBSHOHBVPZWLN-OAHLLOKOSA-N 0 3 276.355 2.584 20 30 CFEDHN C[C@H](NC[C@@H]1CCCCO1)c1ccc(C#N)c(F)c1 ZINC000271990893 385420079 /nfs/dbraw/zinc/42/00/79/385420079.db2.gz ZERJNVXSTFWDEY-FZMZJTMJSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@@H](NC[C@@H]1CCCCO1)c1ccc(C#N)c(F)c1 ZINC000271990896 385421001 /nfs/dbraw/zinc/42/10/01/385421001.db2.gz ZERJNVXSTFWDEY-RISCZKNCSA-N 0 3 262.328 2.917 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272062955 385439692 /nfs/dbraw/zinc/43/96/92/385439692.db2.gz IGCPEWOMJIWHIV-WBMJQRKESA-N 0 3 290.382 2.866 20 30 CFEDHN CC(C#N)C(=O)N[C@H](COc1ccccc1F)C(C)(C)C ZINC000347103435 533118348 /nfs/dbraw/zinc/11/83/48/533118348.db2.gz JIKLWVDHGPHIPW-SMDDNHRTSA-N 0 3 292.354 2.895 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000272021610 385428364 /nfs/dbraw/zinc/42/83/64/385428364.db2.gz SBBAFEKAYDXSKW-IAQYHMDHSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639307047 385434261 /nfs/dbraw/zinc/43/42/61/385434261.db2.gz MBICAAJMBPCWKQ-UHFFFAOYSA-N 0 3 273.302 2.904 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000283091179 385435282 /nfs/dbraw/zinc/43/52/82/385435282.db2.gz LHEXAZQFKQQJPJ-JHJVBQTASA-N 0 3 274.364 2.797 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@@H]1CCCCO1 ZINC000272057527 385437679 /nfs/dbraw/zinc/43/76/79/385437679.db2.gz ZGVGCIIGUCXBDG-GWCFXTLKSA-N 0 3 250.367 2.667 20 30 CFEDHN C=CC[C@H]1CCN(Cc2c3c(nn2C)CCCC3)C1 ZINC000639348465 385472020 /nfs/dbraw/zinc/47/20/20/385472020.db2.gz PZQLIOCFAZNSCU-ZDUSSCGKSA-N 0 3 259.397 2.697 20 30 CFEDHN C#Cc1cccc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)c1 ZINC000272356399 385518116 /nfs/dbraw/zinc/51/81/16/385518116.db2.gz PIYOJZPTIFAOKH-AWEZNQCLSA-N 0 3 299.418 2.862 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccccc1 ZINC000272471668 385545775 /nfs/dbraw/zinc/54/57/75/385545775.db2.gz LKKMLTBDCXBPQZ-BPQIPLTHSA-N 0 3 298.430 2.899 20 30 CFEDHN COc1cc([C@H](C)NC(=O)C(C)C#N)ccc1OC(C)C ZINC000347082120 533126700 /nfs/dbraw/zinc/12/67/00/533126700.db2.gz YARDLPNOAQUNGB-RYUDHWBXSA-N 0 3 290.363 2.819 20 30 CFEDHN CO[C@@H](CN1CCC(C)(C#N)CC1)c1ccccc1 ZINC000284536650 385550359 /nfs/dbraw/zinc/55/03/59/385550359.db2.gz XAQURAJGYMSYTG-HNNXBMFYSA-N 0 3 258.365 3.000 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000285817733 385557815 /nfs/dbraw/zinc/55/78/15/385557815.db2.gz WWXDIFLSFYSPDB-QILLFSRXSA-N 0 3 299.418 2.705 20 30 CFEDHN C=C[C@H](CC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000272538312 385560816 /nfs/dbraw/zinc/56/08/16/385560816.db2.gz KDDLNSFAWUUCPP-QLFBSQMISA-N 0 3 272.392 2.555 20 30 CFEDHN CN(C)[C@H](CNc1ccnc(C#N)c1)c1ccsc1 ZINC000286312733 385587540 /nfs/dbraw/zinc/58/75/40/385587540.db2.gz ZEZPJFWTMYJSBU-CQSZACIVSA-N 0 3 272.377 2.730 20 30 CFEDHN C#CCCN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000272795837 385617172 /nfs/dbraw/zinc/61/71/72/385617172.db2.gz CXCONVFWEBBMRE-OAHLLOKOSA-N 0 3 259.349 2.682 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@H](CC)c1ccc(C)cc1 ZINC000272813292 385622935 /nfs/dbraw/zinc/62/29/35/385622935.db2.gz DMSZWWWBISVUMG-OAHLLOKOSA-N 0 3 281.421 2.637 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000288731708 197154588 /nfs/dbraw/zinc/15/45/88/197154588.db2.gz GSCMFCWZCYSMLJ-KRWDZBQOSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCN1CCC(Nc2nc(C)nc3c2CCCC3)CC1 ZINC000272938187 385659900 /nfs/dbraw/zinc/65/99/00/385659900.db2.gz WOKPASLZKFRFCM-UHFFFAOYSA-N 0 3 286.423 2.726 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC000639687815 385662288 /nfs/dbraw/zinc/66/22/88/385662288.db2.gz JTSLXVZZUHCKKY-UHFFFAOYSA-N 0 3 287.407 2.662 20 30 CFEDHN C=C(C)CN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793993 385712705 /nfs/dbraw/zinc/71/27/05/385712705.db2.gz QKVANECQIHRYJC-CQSZACIVSA-N 0 3 253.349 2.995 20 30 CFEDHN C=CCN(Cc1ccc2oc(=O)n(C)c2c1)C(C)(C)C ZINC000639829555 385728092 /nfs/dbraw/zinc/72/80/92/385728092.db2.gz VMNWCZLQRIBTMT-UHFFFAOYSA-N 0 3 274.364 2.918 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2oc(=O)n(C)c2c1 ZINC000639863859 385736766 /nfs/dbraw/zinc/73/67/66/385736766.db2.gz PKHBTHBAVVSUPB-OKILXGFUSA-N 0 3 284.359 2.815 20 30 CFEDHN C#CCOc1ccc([C@H](C)NCC2=CCCOC2)cc1 ZINC000287030907 385766909 /nfs/dbraw/zinc/76/69/09/385766909.db2.gz LSVHGMRIJSLBKN-AWEZNQCLSA-N 0 3 271.360 2.696 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287038725 385768091 /nfs/dbraw/zinc/76/80/91/385768091.db2.gz STUZAKOBYQDRAE-KBPBESRZSA-N 0 3 293.407 2.990 20 30 CFEDHN C=CCN1CC[C@H](N[C@@](C)(CC)c2ccc(F)cc2)C1=O ZINC000639928790 385780224 /nfs/dbraw/zinc/78/02/24/385780224.db2.gz OHYAPAZTZSESRJ-RDJZCZTQSA-N 0 3 290.382 2.827 20 30 CFEDHN COc1ccc(CNC[C@@H]2COc3ccccc32)cc1C#N ZINC000288576469 197117548 /nfs/dbraw/zinc/11/75/48/197117548.db2.gz NJEMTBYYIDJSCL-OAHLLOKOSA-N 0 3 294.354 2.833 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(Oc2ccccc2F)CC1 ZINC000639979755 385802608 /nfs/dbraw/zinc/80/26/08/385802608.db2.gz GNTBYXVGZFTTGU-CQSZACIVSA-N 0 3 293.382 2.996 20 30 CFEDHN C=CCCCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000274542542 385820493 /nfs/dbraw/zinc/82/04/93/385820493.db2.gz USCFJHQNTUZACP-INIZCTEOSA-N 0 3 272.392 2.952 20 30 CFEDHN C=C(C)[C@H](NC[C@@H](O)COCC)c1ccc(F)c(F)c1 ZINC000274899016 385893332 /nfs/dbraw/zinc/89/33/32/385893332.db2.gz RZJVXNWQGBKVLI-DOMZBBRYSA-N 0 3 285.334 2.569 20 30 CFEDHN C=CCN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000274972441 385904492 /nfs/dbraw/zinc/90/44/92/385904492.db2.gz ABTGDEGCAFJUAY-UHFFFAOYSA-N 0 3 272.392 2.543 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CCCSC2)c(F)c1 ZINC000288551867 197110421 /nfs/dbraw/zinc/11/04/21/197110421.db2.gz XUWIBGJKCSOSCI-GFCCVEGCSA-N 0 3 264.369 2.930 20 30 CFEDHN C=C(C)CCN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000274776127 385868767 /nfs/dbraw/zinc/86/87/67/385868767.db2.gz OCDVOYDOSUSSFD-UHFFFAOYSA-N 0 3 251.326 2.773 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](O)C(C)(C)C1 ZINC000275544031 385978790 /nfs/dbraw/zinc/97/87/90/385978790.db2.gz ZJTZFEZKDIGLQI-WFASDCNBSA-N 0 3 258.365 2.712 20 30 CFEDHN C[C@H](CO)N(Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000276435191 385989589 /nfs/dbraw/zinc/98/95/89/385989589.db2.gz KMKCFJDFXNPZDE-GFCCVEGCSA-N 0 3 276.355 2.823 20 30 CFEDHN C=CC[C@@H](C(=O)NC1CCN(CC)CC1)c1ccccc1 ZINC000275100081 385933120 /nfs/dbraw/zinc/93/31/20/385933120.db2.gz FEKXMBCFJIOEQL-QGZVFWFLSA-N 0 3 286.419 2.947 20 30 CFEDHN COc1cc(CN[C@H](C)[C@H](O)c2ccccc2)ccc1C#N ZINC000288496914 197094141 /nfs/dbraw/zinc/09/41/41/197094141.db2.gz HQQOCQRUUFCFHP-ACJLOTCBSA-N 0 3 296.370 2.779 20 30 CFEDHN C[C@H]1CC[C@](CO)(N(C)CC#Cc2ccccc2)C1 ZINC000277049158 386117158 /nfs/dbraw/zinc/11/71/58/386117158.db2.gz USJMHDBQSXPQRD-RDJZCZTQSA-N 0 3 257.377 2.521 20 30 CFEDHN C#CCN(C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000276945453 386088530 /nfs/dbraw/zinc/08/85/30/386088530.db2.gz KIQQLAXVCCJXRM-UHFFFAOYSA-N 0 3 272.392 2.896 20 30 CFEDHN COCC#CCN[C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000681564479 542465466 /nfs/dbraw/zinc/46/54/66/542465466.db2.gz MRTKRTDMQKXCEE-ROUUACIJSA-N 0 3 287.403 2.924 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](CC)c2ccccc2)C1=O ZINC000281338180 195201869 /nfs/dbraw/zinc/20/18/69/195201869.db2.gz WFXTZOXENLZDHU-CABCVRRESA-N 0 3 258.365 2.514 20 30 CFEDHN CCC(O)(CC)CCNCc1ccc(C#N)c(OC)c1 ZINC000281449378 195244509 /nfs/dbraw/zinc/24/45/09/195244509.db2.gz AFFOSHCSXIPJFM-UHFFFAOYSA-N 0 3 276.380 2.598 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287290126 196824598 /nfs/dbraw/zinc/82/45/98/196824598.db2.gz BWMDXRYFTHQSSQ-AWEZNQCLSA-N 0 3 286.379 2.511 20 30 CFEDHN O=C(N[C@@H](CO)C1CCCC1)[C@H]1CCCN1C1CCCC1 ZINC000329749884 285285039 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/nfs/dbraw/zinc/44/68/52/393446852.db2.gz FJFJGXVLLQIPHM-UHFFFAOYSA-N 0 3 263.337 2.507 20 30 CFEDHN C=C(Br)CN(C1CC1)C1CCN(CC)CC1 ZINC000372374352 393447628 /nfs/dbraw/zinc/44/76/28/393447628.db2.gz QWLBXWYGCVRJOO-UHFFFAOYSA-N 0 3 287.245 2.844 20 30 CFEDHN CC(C)CN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000178753705 393448111 /nfs/dbraw/zinc/44/81/11/393448111.db2.gz UAHZNHAAPPDBHI-UHFFFAOYSA-N 0 3 290.838 2.965 20 30 CFEDHN C#CCCN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000372421890 393448600 /nfs/dbraw/zinc/44/86/00/393448600.db2.gz ZSEVSBDHXXHKFG-AWEZNQCLSA-N 0 3 266.348 2.632 20 30 CFEDHN C[C@H](c1ccc(F)cc1)N(C)CCC(=O)N(C)CCC#N ZINC000179188008 393455443 /nfs/dbraw/zinc/45/54/43/393455443.db2.gz MGTVIUYZPWAGFB-CYBMUJFWSA-N 0 3 291.370 2.581 20 30 CFEDHN Cc1cc(C)nc(C2CCN(CCCC#N)CC2)n1 ZINC000373753848 393471630 /nfs/dbraw/zinc/47/16/30/393471630.db2.gz LWUHQXGKGHKNED-UHFFFAOYSA-N 0 3 258.369 2.577 20 30 CFEDHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000373811962 393473748 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393487981 /nfs/dbraw/zinc/48/79/81/393487981.db2.gz QGRBSXDCLNMWQE-ZBFHGGJFSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC2(C1)CCCCC2 ZINC000303869008 393497318 /nfs/dbraw/zinc/49/73/18/393497318.db2.gz HPVDGKNZYIRDSP-UHFFFAOYSA-N 0 3 276.424 2.843 20 30 CFEDHN C[C@@H](NCCOc1ccccc1C#N)c1ccccn1 ZINC000181782125 393502842 /nfs/dbraw/zinc/50/28/42/393502842.db2.gz XITLHRFBFYIIMM-CYBMUJFWSA-N 0 3 267.332 2.683 20 30 CFEDHN C=CCN(CC=C)Cc1cc(OC)c(OC)cc1O ZINC000183464134 393520505 /nfs/dbraw/zinc/52/05/05/393520505.db2.gz UHVVPTBFADZUMJ-UHFFFAOYSA-N 0 3 263.337 2.583 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](c1nc(C)cs1)C1CC1 ZINC000183560672 393521323 /nfs/dbraw/zinc/52/13/23/393521323.db2.gz HQEVRRMRZVCOQI-QWHCGFSZSA-N 0 3 266.410 2.819 20 30 CFEDHN C=CCOc1ccc(CN[C@@H](CO)CC=C)cc1Cl ZINC000184285179 393525785 /nfs/dbraw/zinc/52/57/85/393525785.db2.gz WTOBLOXQWPEXJR-CYBMUJFWSA-N 0 3 281.783 2.931 20 30 CFEDHN CC1CCC(C)(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330277021 393553258 /nfs/dbraw/zinc/55/32/58/393553258.db2.gz NRVBZAAHYFPLDX-UYJPIKCFSA-N 0 3 290.411 2.670 20 30 CFEDHN C=CCSCCNCc1ccccc1[N+](=O)[O-] ZINC000222060902 413066391 /nfs/dbraw/zinc/06/63/91/413066391.db2.gz FZCPWBDAMJPIMV-UHFFFAOYSA-N 0 3 252.339 2.604 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)CCC)C(C)C ZINC000046049373 393575325 /nfs/dbraw/zinc/57/53/25/393575325.db2.gz XEJZBFSRMCRQDS-CQSZACIVSA-N 0 3 252.402 2.601 20 30 CFEDHN C=C(C)CN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000334197467 393579467 /nfs/dbraw/zinc/57/94/67/393579467.db2.gz JAGNQEHXWRJGRS-HNNXBMFYSA-N 0 3 276.424 2.677 20 30 CFEDHN CC(=O)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC12CCCCC2 ZINC000334282303 393589124 /nfs/dbraw/zinc/58/91/24/393589124.db2.gz YDJSROKSVXIKET-HZPDHXFCSA-N 0 3 289.423 2.546 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000334286866 393590378 /nfs/dbraw/zinc/59/03/78/393590378.db2.gz XRTHCZDMDBQXHU-RYUDHWBXSA-N 0 3 256.349 2.902 20 30 CFEDHN CC(C)(C)OC1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334300211 393591358 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393781755 /nfs/dbraw/zinc/78/17/55/393781755.db2.gz DFAWJMMQBNTOSF-CYBMUJFWSA-N 0 3 291.370 2.972 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338663340 393795804 /nfs/dbraw/zinc/79/58/04/393795804.db2.gz OGEZIELCTMNWKV-HOCLYGCPSA-N 0 3 272.392 2.904 20 30 CFEDHN C=CCOCCN(C)CCOc1ccccc1Cl ZINC000338880674 393803927 /nfs/dbraw/zinc/80/39/27/393803927.db2.gz NRASLGWYBARWFC-UHFFFAOYSA-N 0 3 269.772 2.853 20 30 CFEDHN C=CCOCCN1CCC[C@H](c2nccs2)C1 ZINC000338947949 393805401 /nfs/dbraw/zinc/80/54/01/393805401.db2.gz JRJUDXDHOCKAAJ-LBPRGKRZSA-N 0 3 252.383 2.525 20 30 CFEDHN COc1ccccc1CCN(C)[C@H]1CC[C@H](C#N)C1 ZINC000338962355 393806843 /nfs/dbraw/zinc/80/68/43/393806843.db2.gz GIICNZHYLCSVGF-ZFWWWQNUSA-N 0 3 258.365 2.862 20 30 CFEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000245737345 393826318 /nfs/dbraw/zinc/82/63/18/393826318.db2.gz LDXIVIPQOKGVHQ-CHWSQXEVSA-N 0 3 268.364 2.684 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000245942864 393839177 /nfs/dbraw/zinc/83/91/77/393839177.db2.gz NACACVOWQLVDFP-HIFRSBDPSA-N 0 3 299.418 2.717 20 30 CFEDHN COCC(C)(C)N(C)C(=O)C(C#N)CCc1ccccc1 ZINC000345543459 393910432 /nfs/dbraw/zinc/91/04/32/393910432.db2.gz IJWHABOOZYJLKP-OAHLLOKOSA-N 0 3 288.391 2.642 20 30 CFEDHN C=C[C@H](C)NC(=O)[C@H]1CN(C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000342823361 393871071 /nfs/dbraw/zinc/87/10/71/393871071.db2.gz ITJRDSPXKIXIGS-DCAQKATOSA-N 0 3 292.345 2.586 20 30 CFEDHN COCC1(C#N)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000342837985 393871724 /nfs/dbraw/zinc/87/17/24/393871724.db2.gz NWIQFUXEFBZAFZ-UHFFFAOYSA-N 0 3 283.375 2.920 20 30 CFEDHN COCC1(C#N)CCN(c2ccnc3ccccc32)CC1 ZINC000343143323 393880337 /nfs/dbraw/zinc/88/03/37/393880337.db2.gz VZOXGUKKBBQQBU-UHFFFAOYSA-N 0 3 281.359 2.991 20 30 CFEDHN CN(C(=O)CN1CC[C@@H]2CCC[C@H]21)C1(C#N)CCCCC1 ZINC000426472858 393888362 /nfs/dbraw/zinc/88/83/62/393888362.db2.gz VYRYLYRINPMJGC-LSDHHAIUSA-N 0 3 289.423 2.546 20 30 CFEDHN CO[C@@H]1[C@H](C)[C@H](NCc2ccccc2C#N)C1(C)C ZINC000345717423 393914334 /nfs/dbraw/zinc/91/43/34/393914334.db2.gz YXPWXEOUXPSTNM-BYCMXARLSA-N 0 3 258.365 2.707 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@H](C(C)C)CC1 ZINC000114729349 393902160 /nfs/dbraw/zinc/90/21/60/393902160.db2.gz NQHPLYDXNBQJIH-HNNXBMFYSA-N 0 3 279.428 2.507 20 30 CFEDHN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCC(C)(C)C#N ZINC000345708682 393913926 /nfs/dbraw/zinc/91/39/26/393913926.db2.gz BQRYSHUODHDTLT-HUUCEWRRSA-N 0 3 279.428 2.648 20 30 CFEDHN CC(C)n1cnnc1[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345712033 393913956 /nfs/dbraw/zinc/91/39/56/393913956.db2.gz NFQUNRJEZFBNFL-CQSZACIVSA-N 0 3 289.427 2.978 20 30 CFEDHN C=C(C)[C@H](CO)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000684630288 542840189 /nfs/dbraw/zinc/84/01/89/542840189.db2.gz INLHRUIVWLWFNR-HOTGVXAUSA-N 0 3 263.356 2.726 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000345766619 393916991 /nfs/dbraw/zinc/91/69/91/393916991.db2.gz AGIORWKIJQEMLW-IUCAKERBSA-N 0 3 265.382 2.777 20 30 CFEDHN CCOc1c(Cl)cc(CNC(=O)C(C)C#N)cc1OC ZINC000345758675 393917056 /nfs/dbraw/zinc/91/70/56/393917056.db2.gz JMBYFSXVWYIGHJ-SECBINFHSA-N 0 3 296.754 2.523 20 30 CFEDHN Cc1ccc(C(C)(C)CN(C)C(=O)C(C)C#N)cc1 ZINC000346264097 393925405 /nfs/dbraw/zinc/92/54/05/393925405.db2.gz QATDPNUWWQEKBJ-CYBMUJFWSA-N 0 3 258.365 2.891 20 30 CFEDHN CC(C)(C)[C@H]1CCN(CCC(C)(C)C#N)C[C@H]1O ZINC000346956231 393934427 /nfs/dbraw/zinc/93/44/27/393934427.db2.gz ADWGOIUSPNKUNR-QWHCGFSZSA-N 0 3 252.402 2.655 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000121047386 393946847 /nfs/dbraw/zinc/94/68/47/393946847.db2.gz UYYMHVDDJXGGII-CQSZACIVSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000348249507 393949970 /nfs/dbraw/zinc/94/99/70/393949970.db2.gz XHFGWYZLPKMRSW-KKUMJFAQSA-N 0 3 253.386 2.611 20 30 CFEDHN N#CC(C(=O)c1c[nH]nc1-c1ccoc1)c1ccccn1 ZINC000434628204 394016843 /nfs/dbraw/zinc/01/68/43/394016843.db2.gz ONOGOCOQISXRKD-LLVKDONJSA-N 0 3 278.271 2.555 20 30 CFEDHN C[C@H](O)C[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352827142 394019465 /nfs/dbraw/zinc/01/94/65/394019465.db2.gz XPMRBQQAWVRWNC-UWVGGRQHSA-N 0 3 286.297 2.826 20 30 CFEDHN C[C@H](N[C@H]1CCN(CC(F)F)C1)c1cccc(C#N)c1 ZINC000417378057 393952559 /nfs/dbraw/zinc/95/25/59/393952559.db2.gz DSWYKFOQTHRWDB-FZMZJTMJSA-N 0 3 279.334 2.548 20 30 CFEDHN N=C(NC[C@H](O)C1CCCCC1)Nc1cc(F)ccc1F ZINC000262242413 393954017 /nfs/dbraw/zinc/95/40/17/393954017.db2.gz BUPGHVRXLBMQGY-AWEZNQCLSA-N 0 3 297.349 2.633 20 30 CFEDHN C[C@@H](N[C@@H]1CCN(CC(F)F)C1)c1ccc(C#N)cc1F ZINC000417389581 393954754 /nfs/dbraw/zinc/95/47/54/393954754.db2.gz PRCRVUOUNQGZDK-ZYHUDNBSSA-N 0 3 297.324 2.687 20 30 CFEDHN C=CCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000121613544 393957712 /nfs/dbraw/zinc/95/77/12/393957712.db2.gz QLWADNDNAMELRN-GFCCVEGCSA-N 0 3 270.170 2.600 20 30 CFEDHN COC1CC(N(C)Cc2cccc(OCCCC#N)c2)C1 ZINC000348714296 393957852 /nfs/dbraw/zinc/95/78/52/393957852.db2.gz YHVJLVNJFXUYCS-UHFFFAOYSA-N 0 3 288.391 2.978 20 30 CFEDHN CC(C)(CCC#N)CN1CCN(c2cccc(O)c2)CC1 ZINC000121665204 393958228 /nfs/dbraw/zinc/95/82/28/393958228.db2.gz ANZHRRLNKVKQQX-UHFFFAOYSA-N 0 3 287.407 2.844 20 30 CFEDHN C[C@H]1C[C@H]1N1CCN(Cc2cc(C#N)cs2)C[C@@H](C)C1 ZINC000430133296 393961097 /nfs/dbraw/zinc/96/10/97/393961097.db2.gz YQPBPMMJWLRLOD-DVOMOZLQSA-N 0 3 289.448 2.782 20 30 CFEDHN C=CCOc1ccccc1CN(C)CCN(C)C1CC1 ZINC000349410983 393969888 /nfs/dbraw/zinc/96/98/88/393969888.db2.gz VQDHBAYAIQFANV-UHFFFAOYSA-N 0 3 274.408 2.777 20 30 CFEDHN COc1cc(C#N)ccc1CN1CC(C)=C[C@@H](C)C1 ZINC000430264485 393974742 /nfs/dbraw/zinc/97/47/42/393974742.db2.gz RHELUSYKFBVMSZ-GFCCVEGCSA-N 0 3 256.349 2.965 20 30 CFEDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(C#N)s1 ZINC000487046622 393981048 /nfs/dbraw/zinc/98/10/48/393981048.db2.gz OCDOEBPPKDHPCW-LBPRGKRZSA-N 0 3 291.420 2.614 20 30 CFEDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(C#N)s1 ZINC000487251650 393991647 /nfs/dbraw/zinc/99/16/47/393991647.db2.gz ZBIXGWNHTCZAAE-TXEJJXNPSA-N 0 3 291.420 2.612 20 30 CFEDHN CCOC(=O)[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000274147981 394040006 /nfs/dbraw/zinc/04/00/06/394040006.db2.gz FLQOVXYFXXILPX-UPJWGTAASA-N 0 3 274.364 2.797 20 30 CFEDHN C#CCN(CCc1cn[nH]c1)[C@@H]1CCc2ccccc21 ZINC000491404194 394049980 /nfs/dbraw/zinc/04/99/80/394049980.db2.gz AQESIHUTEVWUIZ-QGZVFWFLSA-N 0 3 265.360 2.575 20 30 CFEDHN C#C[C@@H](C)N(C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491544891 394052635 /nfs/dbraw/zinc/05/26/35/394052635.db2.gz NZABOZFDQIYSDV-KGLIPLIRSA-N 0 3 280.412 2.587 20 30 CFEDHN C#C[C@@H](CC)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000491632750 394054734 /nfs/dbraw/zinc/05/47/34/394054734.db2.gz QJYFTCWGEWAUNI-TZIYXEQSSA-N 0 3 258.321 3.000 20 30 CFEDHN C#CCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000277344645 394055777 /nfs/dbraw/zinc/05/57/77/394055777.db2.gz ZMCLSZPLJOWMRZ-WMZOPIPTSA-N 0 3 296.414 2.933 20 30 CFEDHN CC[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000278873589 394064440 /nfs/dbraw/zinc/06/44/40/394064440.db2.gz XEXINQHPHSBPSV-JKSUJKDBSA-N 0 3 299.418 2.998 20 30 CFEDHN CC(C)[C@H]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000438488563 394079014 /nfs/dbraw/zinc/07/90/14/394079014.db2.gz DFAGYDIJENVNFW-RDJZCZTQSA-N 0 3 297.402 2.641 20 30 CFEDHN COc1cc(CNC[C@H](c2ccco2)N(C)C)ccc1C#N ZINC000281842593 394082453 /nfs/dbraw/zinc/08/24/53/394082453.db2.gz YMJKCPOTCPERJR-OAHLLOKOSA-N 0 3 299.374 2.552 20 30 CFEDHN C=CCN1CC[C@@H](N(C)[C@@H]2CCCc3ccccc32)C1=O ZINC000281869200 394086485 /nfs/dbraw/zinc/08/64/85/394086485.db2.gz CDMFKSKIINMRGC-IAGOWNOFSA-N 0 3 284.403 2.783 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492883911 394088643 /nfs/dbraw/zinc/08/86/43/394088643.db2.gz RXSYMYOMEUQLRR-LBPRGKRZSA-N 0 3 254.374 2.504 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000438984256 394092838 /nfs/dbraw/zinc/09/28/38/394092838.db2.gz DQRPAMADWYTOAE-GASCZTMLSA-N 0 3 299.418 2.859 20 30 CFEDHN COc1cc(C#N)ccc1CN(CCO)[C@@H]1CC[C@@H](C)C1 ZINC000439008221 394093506 /nfs/dbraw/zinc/09/35/06/394093506.db2.gz TXCYTUYINPCSCG-CZUORRHYSA-N 0 3 288.391 2.550 20 30 CFEDHN COc1cc(C#N)ccc1CN(CCO)[C@H]1CC[C@@H](C)C1 ZINC000439008217 394094152 /nfs/dbraw/zinc/09/41/52/394094152.db2.gz TXCYTUYINPCSCG-CJNGLKHVSA-N 0 3 288.391 2.550 20 30 CFEDHN C=CCN1CC[C@H](N[C@H](C)c2ccc(SC)cc2)C1=O ZINC000281979611 394105057 /nfs/dbraw/zinc/10/50/57/394105057.db2.gz UWRIFJDJKGEZKG-DOMZBBRYSA-N 0 3 290.432 2.846 20 30 CFEDHN COC[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000487892490 394028024 /nfs/dbraw/zinc/02/80/24/394028024.db2.gz DBKHCTAZVKYRHO-OAHLLOKOSA-N 0 3 258.365 2.725 20 30 CFEDHN N#Cc1csc(CN(C[C@@H]2CCOC2)C2CC2)c1 ZINC000130042882 394100001 /nfs/dbraw/zinc/10/00/01/394100001.db2.gz NAGJUEOCBBTKQU-NSHDSACASA-N 0 3 262.378 2.621 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](CC)OC ZINC000419203020 394033527 /nfs/dbraw/zinc/03/35/27/394033527.db2.gz ZMTTZUJWEFCDTP-MRXNPFEDSA-N 0 3 258.365 2.971 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N[C@H]3CCCN(C)[C@@H]3C)c2c1 ZINC000488129346 394036163 /nfs/dbraw/zinc/03/61/63/394036163.db2.gz RCDKAMJHUTVNLP-CJNGLKHVSA-N 0 3 294.402 2.731 20 30 CFEDHN Cc1ccc2ncc(C#N)c(N[C@H]3CCCN(C)[C@H]3C)c2c1 ZINC000488129345 394036429 /nfs/dbraw/zinc/03/64/29/394036429.db2.gz RCDKAMJHUTVNLP-BBRMVZONSA-N 0 3 294.402 2.731 20 30 CFEDHN C[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CN1C1CC1 ZINC000133558151 394178522 /nfs/dbraw/zinc/17/85/22/394178522.db2.gz AAEQJJXSFKQDJJ-VHSXEESVSA-N 0 3 276.771 2.644 20 30 CFEDHN C=C(C)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282014315 394110972 /nfs/dbraw/zinc/11/09/72/394110972.db2.gz JXEYBVANMMNZKF-AWEZNQCLSA-N 0 3 259.397 2.975 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccccc2C)C1=O ZINC000282037539 394114300 /nfs/dbraw/zinc/11/43/00/394114300.db2.gz QRUFJCZMZWXUDY-IAGOWNOFSA-N 0 3 284.403 2.919 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2c2ccccc2C)C1=O ZINC000282037542 394114393 /nfs/dbraw/zinc/11/43/93/394114393.db2.gz QRUFJCZMZWXUDY-IRXDYDNUSA-N 0 3 284.403 2.919 20 30 CFEDHN C=CCCCC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000359066344 394122725 /nfs/dbraw/zinc/12/27/25/394122725.db2.gz CQZWQHXFDHXCRZ-KBPBESRZSA-N 0 3 252.402 2.722 20 30 CFEDHN CCCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CCC1 ZINC000131195989 394128138 /nfs/dbraw/zinc/12/81/38/394128138.db2.gz UGXBOJHRBNXBDI-HNNXBMFYSA-N 0 3 285.391 2.645 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCC(F)(C#N)CC1 ZINC000359361577 394130797 /nfs/dbraw/zinc/13/07/97/394130797.db2.gz NUYPMYIVZZQDJS-OAHLLOKOSA-N 0 3 299.349 2.613 20 30 CFEDHN C=CCN(CC=C)[C@H](CN[C@H](C)c1cn[nH]c1)C(C)C ZINC000284277402 394136273 /nfs/dbraw/zinc/13/62/73/394136273.db2.gz XFLFPKXTOKWPOD-GDBMZVCRSA-N 0 3 276.428 2.759 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1 ZINC000284995581 394139923 /nfs/dbraw/zinc/13/99/23/394139923.db2.gz LQHOVRITEVYPFD-DLBZAZTESA-N 0 3 279.343 2.573 20 30 CFEDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(C#N)c(Cl)c1 ZINC000443515756 394143256 /nfs/dbraw/zinc/14/32/56/394143256.db2.gz DHHLQNUCZNRTMJ-WDEREUQCSA-N 0 3 263.772 2.740 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNC(=O)CCCC#N)c1ccco1 ZINC000360620949 394155824 /nfs/dbraw/zinc/15/58/24/394155824.db2.gz PAQQBRPRNIUTJQ-OLZOCXBDSA-N 0 3 277.368 2.519 20 30 CFEDHN C=CCC[C@H](NCC1(CO)CCOCC1)c1ccco1 ZINC000285895678 394163516 /nfs/dbraw/zinc/16/35/16/394163516.db2.gz BDFYCEQSEDYZKY-AWEZNQCLSA-N 0 3 279.380 2.666 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@H](CCO)CC2)c(F)c1 ZINC000421043283 394168314 /nfs/dbraw/zinc/16/83/14/394168314.db2.gz QOIBVDPEJWEIQP-ZDUSSCGKSA-N 0 3 276.355 2.682 20 30 CFEDHN C=CCC[C@@H](N[C@H](C)CN1CCN(C)CC1)c1ccco1 ZINC000285939481 394168992 /nfs/dbraw/zinc/16/89/92/394168992.db2.gz FQJFBUNANMMYSD-HZPDHXFCSA-N 0 3 291.439 2.512 20 30 CFEDHN C=CCCCCCN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000150900424 394255790 /nfs/dbraw/zinc/25/57/90/394255790.db2.gz SEJJEAWZYRPXFU-GFCCVEGCSA-N 0 3 292.345 2.828 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)c(F)c2)CCCC[C@H]1O ZINC000421365612 394203230 /nfs/dbraw/zinc/20/32/30/394203230.db2.gz QYSVMKVMAIPZHV-CVEARBPZSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287269441 394203378 /nfs/dbraw/zinc/20/33/78/394203378.db2.gz HQJHZIUPWUSPOO-RHSMWYFYSA-N 0 3 297.402 2.564 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364429401 394212848 /nfs/dbraw/zinc/21/28/48/394212848.db2.gz UJBSHDZCADGSBB-NUEKZKHPSA-N 0 3 288.366 2.943 20 30 CFEDHN C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H](C)N1C ZINC000135266140 394215540 /nfs/dbraw/zinc/21/55/40/394215540.db2.gz WZOAPAZOCBZFAQ-CHWSQXEVSA-N 0 3 280.375 2.635 20 30 CFEDHN CC(C)O[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000421389783 394217573 /nfs/dbraw/zinc/21/75/73/394217573.db2.gz YMLXJKUMHBNWRW-OKILXGFUSA-N 0 3 262.328 2.743 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000289784900 394221853 /nfs/dbraw/zinc/22/18/53/394221853.db2.gz MXCARFHCVNZPHZ-GOEBONIOSA-N 0 3 274.408 2.874 20 30 CFEDHN CC[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)OC ZINC000290307938 394228302 /nfs/dbraw/zinc/22/83/02/394228302.db2.gz ZMWOGWQBQNZDNG-JSGCOSHPSA-N 0 3 262.353 2.665 20 30 CFEDHN C#Cc1ccc(CN[C@@H](CCO)c2ccc(OC)cc2)cc1 ZINC000290565042 394230912 /nfs/dbraw/zinc/23/09/12/394230912.db2.gz ZXLJGNVHIZUFBU-IBGZPJMESA-N 0 3 295.382 2.890 20 30 CFEDHN N#CC1(NC(=O)CN2CCCC23CCCC3)CCCCC1 ZINC000366113119 394239632 /nfs/dbraw/zinc/23/96/32/394239632.db2.gz CEEZXUUTTUFIQN-UHFFFAOYSA-N 0 3 289.423 2.738 20 30 CFEDHN C=CCC[C@H](O)CN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000366178479 394240382 /nfs/dbraw/zinc/24/03/82/394240382.db2.gz LOUNTAVRKGDADC-FUHWJXTLSA-N 0 3 297.402 2.615 20 30 CFEDHN C#CCCN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000366232910 394242027 /nfs/dbraw/zinc/24/20/27/394242027.db2.gz AHUWEUSSWIJECS-UHFFFAOYSA-N 0 3 255.361 2.913 20 30 CFEDHN C=CCN(CC)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000367001021 394249513 /nfs/dbraw/zinc/24/95/13/394249513.db2.gz NGHLTHCBABBPFK-CVEARBPZSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N1CCC[C@@H](C)C1 ZINC000150878858 394254389 /nfs/dbraw/zinc/25/43/89/394254389.db2.gz QQCLJOKDZPGMMX-OAHLLOKOSA-N 0 3 266.429 2.923 20 30 CFEDHN C[C@H]1CCCCN1CCNc1nc(Cl)c(C#N)s1 ZINC000286053570 394184387 /nfs/dbraw/zinc/18/43/87/394184387.db2.gz HZQBPAVZZPLXDJ-VIFPVBQESA-N 0 3 284.816 2.954 20 30 CFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ncc(C#N)cc1Cl ZINC000286269987 394195456 /nfs/dbraw/zinc/19/54/56/394195456.db2.gz DKHIASAPXMJWCS-BXUZGUMPSA-N 0 3 290.798 2.670 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1C[C@H]2CCCC[C@H]21 ZINC000368074479 394266369 /nfs/dbraw/zinc/26/63/69/394266369.db2.gz VPCWBGVAZCHNIS-HUUCEWRRSA-N 0 3 286.375 2.820 20 30 CFEDHN C#CCCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000372231966 394308553 /nfs/dbraw/zinc/30/85/53/394308553.db2.gz FADCGLNXZNKJIA-CQSZACIVSA-N 0 3 257.333 2.618 20 30 CFEDHN CC#CCCN(CC)C[C@H]1COc2ccccc2O1 ZINC000155028861 394308698 /nfs/dbraw/zinc/30/86/98/394308698.db2.gz CTPZFKRITWYGKT-AWEZNQCLSA-N 0 3 259.349 2.562 20 30 CFEDHN C=CCN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155102475 394310662 /nfs/dbraw/zinc/31/06/62/394310662.db2.gz ZQBFVRUMXUROIO-ZDUSSCGKSA-N 0 3 276.380 2.766 20 30 CFEDHN N#Cc1ccc(CN(CCO)C2CCCCC2)s1 ZINC000155140928 394311575 /nfs/dbraw/zinc/31/15/75/394311575.db2.gz UFTPJVOKEUIKGL-UHFFFAOYSA-N 0 3 264.394 2.747 20 30 CFEDHN CC[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)CC ZINC000453378505 394392731 /nfs/dbraw/zinc/39/27/31/394392731.db2.gz QTNCZFFNGPPGAS-VQISRLSMSA-N 0 3 264.344 2.897 20 30 CFEDHN N#Cc1cccnc1NC[C@@H]1CCN1C1CCCCC1 ZINC000528112889 394392872 /nfs/dbraw/zinc/39/28/72/394392872.db2.gz FTRBFPHXUREPHB-HNNXBMFYSA-N 0 3 270.380 2.772 20 30 CFEDHN CC(C)(CCC#N)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000174417899 394378415 /nfs/dbraw/zinc/37/84/15/394378415.db2.gz BMMMHIPLMOPFAN-UHFFFAOYSA-N 0 3 250.317 2.951 20 30 CFEDHN C=CCOCCN[C@H](C)c1ccnn1-c1ccccc1 ZINC000684962624 542879538 /nfs/dbraw/zinc/87/95/38/542879538.db2.gz ZYCVOYKCKOGSRB-CQSZACIVSA-N 0 3 271.364 2.726 20 30 CFEDHN CC#CCN1CCC(Cc2ccccc2OC)CC1 ZINC000525632739 394382385 /nfs/dbraw/zinc/38/23/85/394382385.db2.gz FMYHHHDYKFJJAE-UHFFFAOYSA-N 0 3 257.377 2.973 20 30 CFEDHN C=CCC[C@H](CO)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453338697 394387423 /nfs/dbraw/zinc/38/74/23/394387423.db2.gz CJXOXACUFJKPGT-WCQYABFASA-N 0 3 262.328 2.675 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@]1(C)CCCO1 ZINC000453394028 394395542 /nfs/dbraw/zinc/39/55/42/394395542.db2.gz VPHQTSUFFQUFMZ-ABAIWWIYSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1ccc(C#N)c(F)c1 ZINC000453419915 394401214 /nfs/dbraw/zinc/40/12/14/394401214.db2.gz XEJNVEDMRXOREV-SUNKGSAMSA-N 0 3 262.328 2.915 20 30 CFEDHN N#Cc1c2c(cnc1NC[C@H]1CCN1C1CCCC1)CCC2 ZINC000528212264 394403378 /nfs/dbraw/zinc/40/33/78/394403378.db2.gz SGEFZEXIWFSTOD-OAHLLOKOSA-N 0 3 296.418 2.871 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc(C#N)s1 ZINC000527805224 394410340 /nfs/dbraw/zinc/41/03/40/394410340.db2.gz UUVXCQJKEZAPJW-COMAGPEQSA-N 0 3 250.367 2.521 20 30 CFEDHN C[C@H](NCC12CC(C1)CO2)c1ccc(C#N)cc1F ZINC000527981994 394435220 /nfs/dbraw/zinc/43/52/20/394435220.db2.gz PPDVAJDJFMRNAR-VLRKGOCCSA-N 0 3 260.312 2.527 20 30 CFEDHN COC(=O)c1cccc(CN(C)C(C2CC2)C2CC2)c1C#N ZINC000535921869 394549517 /nfs/dbraw/zinc/54/95/17/394549517.db2.gz GAJKXASQCPMUHH-UHFFFAOYSA-N 0 3 298.386 2.965 20 30 CFEDHN C[C@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540706694 394651408 /nfs/dbraw/zinc/65/14/08/394651408.db2.gz XLNPYHSMDGMCTF-SWLSCSKDSA-N 0 3 292.354 2.544 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccncc2C#N)C1 ZINC000548481251 394935107 /nfs/dbraw/zinc/93/51/07/394935107.db2.gz IGHGEDCGQWCDDT-WMLDXEAASA-N 0 3 292.386 2.623 20 30 CFEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)CN1CC[C@H](C)C1 ZINC000558652412 395069069 /nfs/dbraw/zinc/06/90/69/395069069.db2.gz QJEFDSPTPXKGQQ-HNNXBMFYSA-N 0 3 299.418 2.639 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@]2(C)CCc3ccccc32)CC1 ZINC000648773631 395305644 /nfs/dbraw/zinc/30/56/44/395305644.db2.gz UCODSMYIWJRZNL-IBGZPJMESA-N 0 3 298.430 2.657 20 30 CFEDHN C=C(C)[C@H](CO)N1CC=C(c2ccc(F)cc2)CC1 ZINC000649225548 395455006 /nfs/dbraw/zinc/45/50/06/395455006.db2.gz LOAKTMNNVDOMKT-INIZCTEOSA-N 0 3 261.340 2.852 20 30 CFEDHN C=C(C)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000649748626 395565297 /nfs/dbraw/zinc/56/52/97/395565297.db2.gz AUMBSENWDBJWJW-ZWKOTPCHSA-N 0 3 286.419 2.538 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000183801396 543040529 /nfs/dbraw/zinc/04/05/29/543040529.db2.gz MXWMUSVKNCCZKN-ZDUSSCGKSA-N 0 3 283.799 2.896 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CO)CC(C)C ZINC000040775693 397552134 /nfs/dbraw/zinc/55/21/34/397552134.db2.gz BYAYZPOZEKYGCY-HNNXBMFYSA-N 0 3 263.381 2.748 20 30 CFEDHN C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000426380497 397573452 /nfs/dbraw/zinc/57/34/52/397573452.db2.gz LLQDIZQPXHPUCP-ZBFHGGJFSA-N 0 3 291.439 2.753 20 30 CFEDHN C#C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C(C)(C)C ZINC000491692121 397581897 /nfs/dbraw/zinc/58/18/97/397581897.db2.gz QJKWTPIMMPDWSI-GJZGRUSLSA-N 0 3 276.424 2.558 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000653050334 413170768 /nfs/dbraw/zinc/17/07/68/413170768.db2.gz RWUGAWIYAVGFQG-GFCCVEGCSA-N 0 3 258.365 2.873 20 30 CFEDHN COC[C@H]1CCCCN1Cc1ccc(C#N)cc1C ZINC000307764002 397645459 /nfs/dbraw/zinc/64/54/59/397645459.db2.gz KTRIWKIOBUBOID-MRXNPFEDSA-N 0 3 258.365 2.868 20 30 CFEDHN CCN(CCCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356120460 155165593 /nfs/dbraw/zinc/16/55/93/155165593.db2.gz DDXITWFYNQBIQU-UHFFFAOYSA-N 0 3 286.297 2.781 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](F)[C@H](N)C2)cc1Cl ZINC000663506730 413253732 /nfs/dbraw/zinc/25/37/32/413253732.db2.gz OJQLJRICUVKLDN-ZIAGYGMSSA-N 0 3 298.789 2.776 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@@H]2CCCCO2)ccc1C#N ZINC000356740245 155346477 /nfs/dbraw/zinc/34/64/77/155346477.db2.gz YTPKCIOZAJUAPY-WFASDCNBSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC1CCN(C2CC2)CC1 ZINC000663545286 413267637 /nfs/dbraw/zinc/26/76/37/413267637.db2.gz ILIMLMQMEGPUMD-UHFFFAOYSA-N 0 3 279.428 2.657 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC001085279114 782003600 /nfs/dbraw/zinc/00/36/00/782003600.db2.gz QUNQKXYDVCVINA-IXYNUQLISA-N 0 3 296.842 2.946 20 30 CFEDHN Cc1nccn1C[C@H](C)CNCc1ccc(C#N)cc1F ZINC000343154746 154128196 /nfs/dbraw/zinc/12/81/96/154128196.db2.gz SAXWOZVPFKWBQQ-GFCCVEGCSA-N 0 3 286.354 2.628 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)o1)N1CCCC[C@H]1C ZINC000343277913 154166441 /nfs/dbraw/zinc/16/64/41/154166441.db2.gz HYZRUDVJPKUNLS-CHWSQXEVSA-N 0 3 261.369 2.504 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2cccnc2)s1 ZINC000343387283 154193606 /nfs/dbraw/zinc/19/36/06/154193606.db2.gz MWOBPYVVYXVUSB-CABCVRRESA-N 0 3 285.372 2.635 20 30 CFEDHN C[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000348254726 154382873 /nfs/dbraw/zinc/38/28/73/154382873.db2.gz IIMJDXGCPIMDNN-XJKSGUPXSA-N 0 3 298.361 2.952 20 30 CFEDHN CC1(C)[C@H](NCc2cccc(C#N)c2F)[C@@H]2CCO[C@H]21 ZINC000355120440 154922975 /nfs/dbraw/zinc/92/29/75/154922975.db2.gz JVWKGKCWBMCRNV-NWANDNLSSA-N 0 3 274.339 2.600 20 30 CFEDHN CC(C)(C)CC[C@@H](CO)NCc1ccc(C#N)s1 ZINC000355734249 155069497 /nfs/dbraw/zinc/06/94/97/155069497.db2.gz RCWRHHYLTBXSPE-NSHDSACASA-N 0 3 266.410 2.897 20 30 CFEDHN COCC#CCN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000657110750 413310557 /nfs/dbraw/zinc/31/05/57/413310557.db2.gz PKJGISVRPKPPIY-DLBZAZTESA-N 0 3 257.377 2.904 20 30 CFEDHN C[C@H](NCC[C@H](C)[S@@](C)=O)c1ccc(C#N)cc1F ZINC000358567095 155803616 /nfs/dbraw/zinc/80/36/16/155803616.db2.gz JCYUMPJKMQMNSE-ZHYXMNDGSA-N 0 3 282.384 2.505 20 30 CFEDHN C=CCCn1cc(CN(CC(C)C)CC(C)C)nn1 ZINC000653491234 413328756 /nfs/dbraw/zinc/32/87/56/413328756.db2.gz PMBDACCNWABTEV-UHFFFAOYSA-N 0 3 264.417 2.968 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000657209030 413337964 /nfs/dbraw/zinc/33/79/64/413337964.db2.gz OKJIMZFKVNQQBB-WBVHZDCISA-N 0 3 273.376 2.862 20 30 CFEDHN N#Cc1ccc(CN2CC[C@]3(C2)CCCOC3)c(F)c1 ZINC000375280501 157217151 /nfs/dbraw/zinc/21/71/51/157217151.db2.gz QXMVJJCRNSWXHM-INIZCTEOSA-N 0 3 274.339 2.700 20 30 CFEDHN COc1ccc(C#N)cc1CN1CC[C@]2(C1)CCCOC2 ZINC000375277404 157217911 /nfs/dbraw/zinc/21/79/11/157217911.db2.gz JFLRNCVWMOGGBB-KRWDZBQOSA-N 0 3 286.375 2.569 20 30 CFEDHN CS[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1N(C)C ZINC000340756557 286721922 /nfs/dbraw/zinc/72/19/22/286721922.db2.gz VSLAVIGVZLVWTM-KGLIPLIRSA-N 0 3 295.839 2.693 20 30 CFEDHN CC[C@@H](C(=O)N[C@H](C#N)c1ccccc1F)N(CC)CC ZINC000349485964 286744168 /nfs/dbraw/zinc/74/41/68/286744168.db2.gz WMVYYTKQVQRUQC-CABCVRRESA-N 0 3 291.370 2.627 20 30 CFEDHN C=CCCn1cc(CN[C@@H](C)Cc2cccs2)nn1 ZINC000657300665 413420056 /nfs/dbraw/zinc/42/00/56/413420056.db2.gz SEEJDGCQKOZTGN-LBPRGKRZSA-N 0 3 276.409 2.637 20 30 CFEDHN N#Cc1csc(CNC[C@H](CO)Cc2ccccc2)c1 ZINC000343660796 161834263 /nfs/dbraw/zinc/83/42/63/161834263.db2.gz CSUGBAGBEGYBKI-OAHLLOKOSA-N 0 3 286.400 2.561 20 30 CFEDHN CCc1nc(CCNCc2ccc(C#N)o2)sc1C ZINC000344109682 161944109 /nfs/dbraw/zinc/94/41/09/161944109.db2.gz FQCPFNYUYOAAHS-UHFFFAOYSA-N 0 3 275.377 2.811 20 30 CFEDHN C[C@@]1(NCc2cccc(C#N)c2F)CCO[C@H]1C1CC1 ZINC000344373730 162027989 /nfs/dbraw/zinc/02/79/89/162027989.db2.gz JBECAFQHLDKARO-JKSUJKDBSA-N 0 3 274.339 2.745 20 30 CFEDHN C[C@]1(NCc2cc(C#N)cs2)CCO[C@H]1C1CC1 ZINC000344376721 162028728 /nfs/dbraw/zinc/02/87/28/162028728.db2.gz MHLIMOIGRAOYAA-KBPBESRZSA-N 0 3 262.378 2.667 20 30 CFEDHN C[C@@H](NCCCCCO)c1ccc(C#N)cc1F ZINC000344394800 162032777 /nfs/dbraw/zinc/03/27/77/162032777.db2.gz RBRSHDXHNASGNE-LLVKDONJSA-N 0 3 250.317 2.511 20 30 CFEDHN C=CCCn1cc(CN2CCC3(CCC3)CC2)nn1 ZINC000653672930 413441697 /nfs/dbraw/zinc/44/16/97/413441697.db2.gz BMXGMVHSJYEYMI-UHFFFAOYSA-N 0 3 260.385 2.620 20 30 CFEDHN C[C@@H](NC[C@]1(C)CCCO1)c1ccc(C#N)c(F)c1 ZINC000346140728 162329683 /nfs/dbraw/zinc/32/96/83/162329683.db2.gz VUFFAXUSKHCXEY-ABAIWWIYSA-N 0 3 262.328 2.917 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000346159556 162334608 /nfs/dbraw/zinc/33/46/08/162334608.db2.gz HQDWGEFLFUGGKP-PBHICJAKSA-N 0 3 297.402 2.566 20 30 CFEDHN C[C@H](CCN[C@@H](C)c1ccc(C#N)c(F)c1)[S@@](C)=O ZINC000346200040 162347932 /nfs/dbraw/zinc/34/79/32/162347932.db2.gz QTVGYCLPUPBIEJ-RMDKCXRXSA-N 0 3 282.384 2.505 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)c(F)c1 ZINC000346201572 162352013 /nfs/dbraw/zinc/35/20/13/162352013.db2.gz RBHSWPHXGMHHNT-CIISACIHSA-N 0 3 274.339 2.915 20 30 CFEDHN CC1CCC(CN2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000349999284 163047991 /nfs/dbraw/zinc/04/79/91/163047991.db2.gz AZHSPZGFANNRDU-UHFFFAOYSA-N 0 3 298.434 2.902 20 30 CFEDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000350280204 163069403 /nfs/dbraw/zinc/06/94/03/163069403.db2.gz SWXNPWPVWDSOFX-WMLDXEAASA-N 0 3 292.386 2.623 20 30 CFEDHN C[C@@H]1CC[C@@H](N(CCO)Cc2cccc(C#N)c2F)C1 ZINC000351633466 163161026 /nfs/dbraw/zinc/16/10/26/163161026.db2.gz ZDQSEDXLBMLSOV-IUODEOHRSA-N 0 3 276.355 2.680 20 30 CFEDHN Cc1ccc(NCc2nc(C#N)cs2)c(CN(C)C)c1 ZINC000352812241 163239359 /nfs/dbraw/zinc/23/93/59/163239359.db2.gz WUJVTTCPIDBUKA-UHFFFAOYSA-N 0 3 286.404 2.997 20 30 CFEDHN CCC[C@@]1(NCc2cccc(C#N)c2F)CCOC1 ZINC000352813619 163240316 /nfs/dbraw/zinc/24/03/16/163240316.db2.gz BXAUXZCWIUIEQF-OAHLLOKOSA-N 0 3 262.328 2.746 20 30 CFEDHN CCC[C@]1(NCc2cccc(C#N)c2F)CCOC1 ZINC000352813618 163242199 /nfs/dbraw/zinc/24/21/99/163242199.db2.gz BXAUXZCWIUIEQF-HNNXBMFYSA-N 0 3 262.328 2.746 20 30 CFEDHN N#Cc1csc(CNC[C@H]2[C@@H]3c4ccccc4C[C@H]23)n1 ZINC000352824200 163243972 /nfs/dbraw/zinc/24/39/72/163243972.db2.gz CZPSKVDKNDDJAK-IIAWOOMASA-N 0 3 281.384 2.690 20 30 CFEDHN C[C@@H](CCc1ccc(O)cc1)NCc1nc(C#N)cs1 ZINC000352840245 163249687 /nfs/dbraw/zinc/24/96/87/163249687.db2.gz MQUNNAFEYTUGQT-NSHDSACASA-N 0 3 287.388 2.831 20 30 CFEDHN N#Cc1csc(CNC[C@H]2CCO[C@H]2c2ccccc2)n1 ZINC000352863949 163256199 /nfs/dbraw/zinc/25/61/99/163256199.db2.gz XXTPOYBULHUCBF-CJNGLKHVSA-N 0 3 299.399 2.882 20 30 CFEDHN Cn1cc(CNCC2(C(F)(F)F)CCC2)cc1C#N ZINC000353080209 163303173 /nfs/dbraw/zinc/30/31/73/163303173.db2.gz BHLDCBMPHJEWNX-UHFFFAOYSA-N 0 3 271.286 2.719 20 30 CFEDHN CC(C)(C)C[C@H](O)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353272127 163335067 /nfs/dbraw/zinc/33/50/67/163335067.db2.gz ADGVQHOEFVHZHW-HOCLYGCPSA-N 0 3 272.392 2.932 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)Cc1ccccc1)CC2 ZINC000353431500 163363217 /nfs/dbraw/zinc/36/32/17/163363217.db2.gz ZKXNTUNYVCBRAS-HKUYNNGSSA-N 0 3 292.382 2.739 20 30 CFEDHN CC[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)OC ZINC000353556437 163393010 /nfs/dbraw/zinc/39/30/10/163393010.db2.gz GCVKTBVQWOJGFQ-MFKMUULPSA-N 0 3 250.317 2.773 20 30 CFEDHN CC[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)OC ZINC000353568072 163397377 /nfs/dbraw/zinc/39/73/77/163397377.db2.gz AFXRYGMDOBJMJM-PWSUYJOCSA-N 0 3 250.317 2.773 20 30 CFEDHN CCC#C[C@@H](C)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653711104 413461842 /nfs/dbraw/zinc/46/18/42/413461842.db2.gz RAJNKDARXUEMJH-HIFRSBDPSA-N 0 3 259.397 2.647 20 30 CFEDHN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)C(C)C ZINC000284341197 196033650 /nfs/dbraw/zinc/03/36/50/196033650.db2.gz RGTWOUBUZKIVIM-MRXNPFEDSA-N 0 3 258.365 2.563 20 30 CFEDHN C#CCOc1ccccc1CNCCCOCC(C)C ZINC000020147358 171033750 /nfs/dbraw/zinc/03/37/50/171033750.db2.gz NUSNSQOSLMLTPV-UHFFFAOYSA-N 0 3 275.392 2.851 20 30 CFEDHN COc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000284730765 196120054 /nfs/dbraw/zinc/12/00/54/196120054.db2.gz KHVMFMHDVWAXTO-WBVHZDCISA-N 0 3 286.375 2.710 20 30 CFEDHN C=C(C)CN1CCC(NCc2nccn2C(C)C)CC1 ZINC000657351927 413486683 /nfs/dbraw/zinc/48/66/83/413486683.db2.gz BOSWCDDCBIBWTM-UHFFFAOYSA-N 0 3 276.428 2.594 20 30 CFEDHN C=C(C)CN1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660714709 413513985 /nfs/dbraw/zinc/51/39/85/413513985.db2.gz AAYYNKKUHGBNNU-UHFFFAOYSA-N 0 3 260.385 2.914 20 30 CFEDHN C=CCCn1cc(CN[C@H]2CCC[C@@H](CC)C2)nn1 ZINC000657373281 413517164 /nfs/dbraw/zinc/51/71/64/413517164.db2.gz RLTUSBDBTLUQPP-KGLIPLIRSA-N 0 3 262.401 2.913 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@H](C)CC)CC1 ZINC000664016937 413518118 /nfs/dbraw/zinc/51/81/18/413518118.db2.gz STPDRTYFPVOADX-CQSZACIVSA-N 0 3 281.444 2.857 20 30 CFEDHN C=CCCn1cc(CNCC2(CCOC)CCCC2)nn1 ZINC000657396959 413553029 /nfs/dbraw/zinc/55/30/29/413553029.db2.gz GBJMYUHFAUDNMF-UHFFFAOYSA-N 0 3 292.427 2.541 20 30 CFEDHN N#Cc1ccc(F)c(CNC[C@H](O)c2ccccc2)c1 ZINC000035186772 172041209 /nfs/dbraw/zinc/04/12/09/172041209.db2.gz KQRKYHARNJMJDY-INIZCTEOSA-N 0 3 270.307 2.521 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000660822161 413597074 /nfs/dbraw/zinc/59/70/74/413597074.db2.gz AJNRFHOCJFMIJX-CVEARBPZSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000660822164 413597987 /nfs/dbraw/zinc/59/79/87/413597987.db2.gz AJNRFHOCJFMIJX-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCCn1cc(CNCCC2CCC(OC)CC2)nn1 ZINC000657434806 413603341 /nfs/dbraw/zinc/60/33/41/413603341.db2.gz HXVQGSPNFCDVIR-UHFFFAOYSA-N 0 3 292.427 2.539 20 30 CFEDHN C=CCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000664109902 413573187 /nfs/dbraw/zinc/57/31/87/413573187.db2.gz SEGQZRNEKHRWGI-CQSZACIVSA-N 0 3 289.423 2.991 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000664180828 413624447 /nfs/dbraw/zinc/62/44/47/413624447.db2.gz AYXUPUWKAOCQED-AWEZNQCLSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCn1cc(CNCC2CCC(F)(F)CC2)nn1 ZINC000657459196 413631898 /nfs/dbraw/zinc/63/18/98/413631898.db2.gz PXKGFYDFDDJNJM-UHFFFAOYSA-N 0 3 284.354 2.769 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000664216313 413638738 /nfs/dbraw/zinc/63/87/38/413638738.db2.gz GXSSTJQQEBENDA-ZIAGYGMSSA-N 0 3 279.428 2.657 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000660835048 413606020 /nfs/dbraw/zinc/60/60/20/413606020.db2.gz CQDRGPDGBZRZEJ-RBSFLKMASA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660856195 413618617 /nfs/dbraw/zinc/61/86/17/413618617.db2.gz FUDMUAQMEBYELI-KRWDZBQOSA-N 0 3 299.418 2.754 20 30 CFEDHN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000660855129 413620232 /nfs/dbraw/zinc/62/02/32/413620232.db2.gz JZUJCRATDSEBAA-SQWLQELKSA-N 0 3 293.455 2.903 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000661009298 413706405 /nfs/dbraw/zinc/70/64/05/413706405.db2.gz HFBDYBGRQPZPQG-BMFZPTHFSA-N 0 3 289.423 2.529 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2C[C@H](OCC)C2)c1 ZINC000657611139 413793276 /nfs/dbraw/zinc/79/32/76/413793276.db2.gz WWAGVNZWSIMPIT-KOMQPUFPSA-N 0 3 261.365 2.909 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654319990 413815483 /nfs/dbraw/zinc/81/54/83/413815483.db2.gz REIORRALYLFISF-OFQRWUPVSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654316035 413809266 /nfs/dbraw/zinc/80/92/66/413809266.db2.gz YXKBYJIMCFTJGT-KGLIPLIRSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)N[C@H](CC)CN2CCCC2)C1 ZINC000664410183 413750384 /nfs/dbraw/zinc/75/03/84/413750384.db2.gz SZYZRYICELPTHU-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCNC(=O)CN1CCC[C@@H]1c1c(C)cccc1C ZINC000661134669 413778185 /nfs/dbraw/zinc/77/81/85/413778185.db2.gz SNZRVAOSILNTNX-OAHLLOKOSA-N 0 3 272.392 2.743 20 30 CFEDHN C=CCOCCCNCc1nn(CC)c2ccccc12 ZINC000657657950 413824596 /nfs/dbraw/zinc/82/45/96/413824596.db2.gz GLRCXHDCKFDZFY-UHFFFAOYSA-N 0 3 273.380 2.739 20 30 CFEDHN C=CCN(C[C@H](O)CCc1ccccc1)[C@@H](C)COC ZINC000661240329 413842601 /nfs/dbraw/zinc/84/26/01/413842601.db2.gz NJXMUNGBNPDZKA-DOTOQJQBSA-N 0 3 277.408 2.503 20 30 CFEDHN C=CCN(Cc1cccc(N(C)C)c1)[C@H](C)COC ZINC000661239222 413842624 /nfs/dbraw/zinc/84/26/24/413842624.db2.gz DEJPSOIJXVKPTN-CQSZACIVSA-N 0 3 262.397 2.776 20 30 CFEDHN C=CCN(C[C@@H](OC)c1ccccc1)[C@@H](C)COC ZINC000661239081 413842640 /nfs/dbraw/zinc/84/26/40/413842640.db2.gz CFDALLUONUSMJB-GOEBONIOSA-N 0 3 263.381 2.897 20 30 CFEDHN C=CCN(C[C@@H](O)Cc1cccc(Cl)c1)[C@@H](C)COC ZINC000661240306 413843502 /nfs/dbraw/zinc/84/35/02/413843502.db2.gz NHSGVXHLOQANOG-BBRMVZONSA-N 0 3 297.826 2.766 20 30 CFEDHN C=CCN(CCOc1ccc(OC)cc1)[C@@H](C)COC ZINC000661247397 413850652 /nfs/dbraw/zinc/85/06/52/413850652.db2.gz ODAMWZZZUYJHKY-AWEZNQCLSA-N 0 3 279.380 2.597 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N(CC)CC)C1 ZINC000661378409 413936266 /nfs/dbraw/zinc/93/62/66/413936266.db2.gz FWVXUXHGMDQKBD-ZIAGYGMSSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CC[C@@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000661379213 413937707 /nfs/dbraw/zinc/93/77/07/413937707.db2.gz VUZJZWUHOLVITM-LLVKDONJSA-N 0 3 251.292 2.853 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)N2CCC(C)CC2)C1 ZINC000661378362 413939556 /nfs/dbraw/zinc/93/95/56/413939556.db2.gz DTCCWELGMNFIGK-HZPDHXFCSA-N 0 3 278.440 2.922 20 30 CFEDHN C=CC[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000661381790 413943082 /nfs/dbraw/zinc/94/30/82/413943082.db2.gz PJQXOPAFILFCIT-ZFWWWQNUSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CCCC(C)(C)NCc1ccc(S(C)(=O)=O)s1 ZINC000657805793 413952363 /nfs/dbraw/zinc/95/23/63/413952363.db2.gz BWUZRLCSHDFCGZ-UHFFFAOYSA-N 0 3 287.450 2.986 20 30 CFEDHN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCN2C(C)(C)C)C1 ZINC000661408132 413957414 /nfs/dbraw/zinc/95/74/14/413957414.db2.gz OSZUYSYIYGEXKH-LSDHHAIUSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CCCCN(C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654729936 413983001 /nfs/dbraw/zinc/98/30/01/413983001.db2.gz YENAYYKWUSFWIQ-HUUCEWRRSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000661570679 414053301 /nfs/dbraw/zinc/05/33/01/414053301.db2.gz QRHHBXZWAFBDLK-HOCLYGCPSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCOc1ccccc1CN[C@@H](C)[C@H]1CCCO1 ZINC000037242282 173058816 /nfs/dbraw/zinc/05/88/16/173058816.db2.gz QIJYYQZGDYJQLS-DZGCQCFKSA-N 0 3 261.365 2.909 20 30 CFEDHN CCOC[C@@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC000285708585 196373632 /nfs/dbraw/zinc/37/36/32/196373632.db2.gz DDIWDEZMQOOUNT-MRXNPFEDSA-N 0 3 263.356 2.828 20 30 CFEDHN C=CCC[C@H](NCCNC(=O)C(C)C)c1ccco1 ZINC000285762864 196390969 /nfs/dbraw/zinc/39/09/69/196390969.db2.gz SHRMQVOVHHUDER-ZDUSSCGKSA-N 0 3 264.369 2.649 20 30 CFEDHN C=CCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000037468881 173227202 /nfs/dbraw/zinc/22/72/02/173227202.db2.gz GYSMOMWJSQJFNO-JTQLQIEISA-N 0 3 251.326 2.549 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)CCN1CCCCC1 ZINC000652990432 414160192 /nfs/dbraw/zinc/16/01/92/414160192.db2.gz TUIYROHCVMVQQM-UHFFFAOYSA-N 0 3 264.413 2.699 20 30 CFEDHN C=CCN([C@@H]1CCCN(C(C)C)C1=O)C(C)(C)C ZINC000661756086 414193291 /nfs/dbraw/zinc/19/32/91/414193291.db2.gz CIEJEEDSFHVVAZ-CYBMUJFWSA-N 0 3 252.402 2.672 20 30 CFEDHN C[C@H](O)[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000661772989 414209784 /nfs/dbraw/zinc/20/97/84/414209784.db2.gz XCDPISDTLRPDLQ-SWLSCSKDSA-N 0 3 297.320 2.902 20 30 CFEDHN C=CCCOCC(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000655432539 414269743 /nfs/dbraw/zinc/26/97/43/414269743.db2.gz MEOXZVBXBSABRF-UHFFFAOYSA-N 0 3 276.380 2.588 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000658335145 414385020 /nfs/dbraw/zinc/38/50/20/414385020.db2.gz KIOCDORQPKJWNF-MWLCHTKSSA-N 0 3 255.745 2.546 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NC(C)(C)CC ZINC000662080332 414397861 /nfs/dbraw/zinc/39/78/61/414397861.db2.gz OMVZBXZULWVIRI-MCIONIFRSA-N 0 3 264.413 2.863 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)N1CCCCCC1 ZINC000662079551 414398341 /nfs/dbraw/zinc/39/83/41/414398341.db2.gz HHYHKFSGSLHCRL-OAGGEKHMSA-N 0 3 276.424 2.961 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCCCCC ZINC000662080126 414399272 /nfs/dbraw/zinc/39/92/72/414399272.db2.gz NLVFCCBRSIJOCL-SOUVJXGZSA-N 0 3 264.413 2.864 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)n2cc(C)ccc2n1 ZINC000662085353 414401616 /nfs/dbraw/zinc/40/16/16/414401616.db2.gz FOFNFPRKMGKRAJ-IYBDPMFKSA-N 0 3 295.386 2.686 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000662088576 414404176 /nfs/dbraw/zinc/40/41/76/414404176.db2.gz JSTBOHZIPCHLDD-OKILXGFUSA-N 0 3 271.364 2.743 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000662088576 414404181 /nfs/dbraw/zinc/40/41/81/414404181.db2.gz JSTBOHZIPCHLDD-OKILXGFUSA-N 0 3 271.364 2.743 20 30 CFEDHN C=CCC1(NC(=O)NC[C@@H](N)c2ccccc2)CCCC1 ZINC000659520808 414529666 /nfs/dbraw/zinc/52/96/66/414529666.db2.gz UZWUHJFKFUVPPV-OAHLLOKOSA-N 0 3 287.407 2.875 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000659533662 414532344 /nfs/dbraw/zinc/53/23/44/414532344.db2.gz OOMUISZRQXZHJX-UHFFFAOYSA-N 0 3 287.407 2.834 20 30 CFEDHN C=CCCCCCN(C)CCc1nnn(C(C)(C)C)n1 ZINC000659947323 414627847 /nfs/dbraw/zinc/62/78/47/414627847.db2.gz NAYDHPVQTGKOGM-UHFFFAOYSA-N 0 3 279.432 2.649 20 30 CFEDHN C=CC[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000662782768 414608429 /nfs/dbraw/zinc/60/84/29/414608429.db2.gz GZLBCFJNHANHJA-CQSZACIVSA-N 0 3 280.755 2.682 20 30 CFEDHN C=CCN(Cc1cccs1)C[C@H](OC)[C@@H]1CCOC1 ZINC000659815697 414567954 /nfs/dbraw/zinc/56/79/54/414567954.db2.gz ISEVWWLQYGKTMU-HIFRSBDPSA-N 0 3 281.421 2.788 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000662634165 414581896 /nfs/dbraw/zinc/58/18/96/414581896.db2.gz DPFSGOJEJOBROP-CYBMUJFWSA-N 0 3 270.376 2.718 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000662631399 414581941 /nfs/dbraw/zinc/58/19/41/414581941.db2.gz SOCRQAPKGVCWJP-PBHICJAKSA-N 0 3 284.403 2.688 20 30 CFEDHN C=CCCC(C)(C)NC(=O)c1cc2c(s1)CCNC2 ZINC000662953362 414637375 /nfs/dbraw/zinc/63/73/75/414637375.db2.gz NCKFUACESBNVSS-UHFFFAOYSA-N 0 3 278.421 2.868 20 30 CFEDHN Cc1nsc(NCCCN2CCCCC2)c1C#N ZINC000286227109 196533642 /nfs/dbraw/zinc/53/36/42/196533642.db2.gz TXWNSDVYDJNGQI-UHFFFAOYSA-N 0 3 264.398 2.611 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000044825672 175259468 /nfs/dbraw/zinc/25/94/68/175259468.db2.gz IMWSFZXQCKZZHS-RKDXNWHRSA-N 0 3 281.153 2.786 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)NCc1ccccc1 ZINC000076801894 177099512 /nfs/dbraw/zinc/09/95/12/177099512.db2.gz GQBQRRNRGXXOBB-CQSZACIVSA-N 0 3 260.381 2.589 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000346206768 225740740 /nfs/dbraw/zinc/74/07/40/225740740.db2.gz YTTLWUHIJOXNMD-ABAIWWIYSA-N 0 3 283.306 2.586 20 30 CFEDHN CC(C#N)C(=O)NCCCc1cccc(Cl)c1 ZINC000347042281 226026222 /nfs/dbraw/zinc/02/62/22/226026222.db2.gz USIAWAMNHFAAPL-SNVBAGLBSA-N 0 3 250.729 2.548 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000347084642 226042383 /nfs/dbraw/zinc/04/23/83/226042383.db2.gz ZKPXUEHVIOGUJZ-HIFRSBDPSA-N 0 3 256.349 2.770 20 30 CFEDHN CC(C#N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000347092564 226046194 /nfs/dbraw/zinc/04/61/94/226046194.db2.gz AERWLIDUOFORNO-LLVKDONJSA-N 0 3 260.362 2.587 20 30 CFEDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(C)C#N ZINC000347102158 226049851 /nfs/dbraw/zinc/04/98/51/226049851.db2.gz DGHLEJGEBZAOBV-BREBYQMCSA-N 0 3 280.755 2.692 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCC2=Cc3ccccc3OC2)C1 ZINC000335286303 226228858 /nfs/dbraw/zinc/22/88/58/226228858.db2.gz NYTIFLQDAYECNK-DOMZBBRYSA-N 0 3 254.333 2.744 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H](CC)C(C)C)CC1 ZINC000171715946 335075678 /nfs/dbraw/zinc/07/56/78/335075678.db2.gz RXAXYHTXHKEPJU-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCN1CCC(NC(=O)N2C[C@H](C)c3ccccc32)CC1 ZINC000171739700 335076906 /nfs/dbraw/zinc/07/69/06/335076906.db2.gz RTWWBZLXFQDBFM-AWEZNQCLSA-N 0 3 299.418 2.970 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc(Cl)c1)c1ccncn1 ZINC000354466825 227004296 /nfs/dbraw/zinc/00/42/96/227004296.db2.gz NHGJJVSHORAGQJ-LLVKDONJSA-N 0 3 275.670 2.759 20 30 CFEDHN C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)C1 ZINC000329006609 227255775 /nfs/dbraw/zinc/25/57/75/227255775.db2.gz NBWULIDJZBYWRG-YUTCNCBUSA-N 0 3 293.411 2.715 20 30 CFEDHN O=C(NCC1(CO)CCCC1)[C@@H]1CCCN1C1CCCC1 ZINC000329985531 228007143 /nfs/dbraw/zinc/00/71/43/228007143.db2.gz DKELPLRPYYPFGT-HNNXBMFYSA-N 0 3 294.439 2.903 20 30 CFEDHN CCc1ocnc1C(=O)NC1CC(N2CCCCC2)C1 ZINC000330060025 228028823 /nfs/dbraw/zinc/02/88/23/228028823.db2.gz LZPFSBXDPKGXDF-UHFFFAOYSA-N 0 3 277.368 2.559 20 30 CFEDHN O=C(NC[C@@H](CO)C1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC000330317370 228139604 /nfs/dbraw/zinc/13/96/04/228139604.db2.gz QJHCWRAMGCACAK-HOCLYGCPSA-N 0 3 294.439 2.759 20 30 CFEDHN Cc1ccc(C(=O)C2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000335991244 228175427 /nfs/dbraw/zinc/17/54/27/228175427.db2.gz HSVVHYDCKZPZNL-ZDUSSCGKSA-N 0 3 284.359 2.576 20 30 CFEDHN CC(C#N)C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000336045344 228182243 /nfs/dbraw/zinc/18/22/43/228182243.db2.gz AFLRCCVIQOVRLQ-VIFPVBQESA-N 0 3 295.180 2.960 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000116974459 260020659 /nfs/dbraw/zinc/02/06/59/260020659.db2.gz AYUFKKDGKRCJID-UKRRQHHQSA-N 0 3 275.396 2.553 20 30 CFEDHN CC[C@@H]1C[C@@H](CN(CCC#N)CC2CC2)CCO1 ZINC000356993664 260122351 /nfs/dbraw/zinc/12/23/51/260122351.db2.gz NYGCNMWRFUOVIX-LSDHHAIUSA-N 0 3 250.386 2.817 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)C#N)CCN1Cc1ccccc1 ZINC000079555278 260176040 /nfs/dbraw/zinc/17/60/40/260176040.db2.gz PVPVGLVOAQYDAO-ZBFHGGJFSA-N 0 3 299.418 2.705 20 30 CFEDHN N#CC1(c2ccccc2)CC(NC[C@H]2CCCC[C@H]2O)C1 ZINC000086038735 260206579 /nfs/dbraw/zinc/20/65/79/260206579.db2.gz ITWVOLGWMRXPOD-CCGTUFIJSA-N 0 3 284.403 2.751 20 30 CFEDHN C=C(CC)CN[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000313492206 260298407 /nfs/dbraw/zinc/29/84/07/260298407.db2.gz MLGOUZSTNGYYPE-CYBMUJFWSA-N 0 3 296.436 2.554 20 30 CFEDHN CCOC[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000313490149 260298459 /nfs/dbraw/zinc/29/84/59/260298459.db2.gz XLOORJOSMCGVJV-INIZCTEOSA-N 0 3 288.391 2.958 20 30 CFEDHN Cc1cc(NC(=O)C2(C#N)CC(C)C2)ccc1CN(C)C ZINC000518114164 260343404 /nfs/dbraw/zinc/34/34/04/260343404.db2.gz DUWXKYRSLZOKQH-UHFFFAOYSA-N 0 3 285.391 2.935 20 30 CFEDHN COc1ccc(-n2cc(CNCC3(CC#N)CC3)cn2)cc1 ZINC000449297763 260374273 /nfs/dbraw/zinc/37/42/73/260374273.db2.gz DVXLEYHADXDMLD-UHFFFAOYSA-N 0 3 296.374 2.664 20 30 CFEDHN C[C@H](N[C@H](c1ccccc1)C1CCC1)C(=O)N(C)CCC#N ZINC000104699230 260623653 /nfs/dbraw/zinc/62/36/53/260623653.db2.gz PCDMPGIDACXHBW-WMLDXEAASA-N 0 3 299.418 2.878 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C)CC1 ZINC000119687106 260635859 /nfs/dbraw/zinc/63/58/59/260635859.db2.gz ZLSJQXJUCMHEQT-GJZGRUSLSA-N 0 3 264.413 2.698 20 30 CFEDHN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CCC1 ZINC000119784803 260647772 /nfs/dbraw/zinc/64/77/72/260647772.db2.gz NVIMDOSJNFNCNH-UHFFFAOYSA-N 0 3 291.439 2.934 20 30 CFEDHN C=CCCCNC(=O)Nc1ccccc1CCN(C)C ZINC000448060346 260799975 /nfs/dbraw/zinc/79/99/75/260799975.db2.gz KNHOUOXFIWYDBM-UHFFFAOYSA-N 0 3 275.396 2.878 20 30 CFEDHN N#Cc1cccc(OCCCN2CCC(C#N)CC2)c1 ZINC000155903889 261109285 /nfs/dbraw/zinc/10/92/85/261109285.db2.gz MAWSNAWPUPAKKQ-UHFFFAOYSA-N 0 3 269.348 2.563 20 30 CFEDHN C=CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000448381136 261135279 /nfs/dbraw/zinc/13/52/79/261135279.db2.gz ISOZDSOEPXGNEN-HNNXBMFYSA-N 0 3 279.428 2.613 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccccc1 ZINC000448899493 261146691 /nfs/dbraw/zinc/14/66/91/261146691.db2.gz ODBGIIQGMSAYGV-SUNYJGFJSA-N 0 3 299.418 2.782 20 30 CFEDHN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000174024815 261176406 /nfs/dbraw/zinc/17/64/06/261176406.db2.gz LKTZNZLSLPKWLC-GFCCVEGCSA-N 0 3 298.390 2.790 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@H]2OCCC[C@H]2C1 ZINC000248901867 261217208 /nfs/dbraw/zinc/21/72/08/261217208.db2.gz VRSYGPOUJRIOBJ-DLBZAZTESA-N 0 3 255.361 2.539 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC2(CCCCC2)CC1 ZINC000102410867 261235169 /nfs/dbraw/zinc/23/51/69/261235169.db2.gz NQTXJDIGFPXMTC-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C2(CC)CCC2)CC1 ZINC000176015613 261260123 /nfs/dbraw/zinc/26/01/23/261260123.db2.gz QMYLJHVYHLCRRF-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN C#CCN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103475058 261284532 /nfs/dbraw/zinc/28/45/32/261284532.db2.gz WIFQDILDUYERJN-UHFFFAOYSA-N 0 3 253.349 2.574 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C(CC)CC)CC1 ZINC000106036711 261320660 /nfs/dbraw/zinc/32/06/60/261320660.db2.gz AMMKZDALRKXGPU-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2C)CC1 ZINC000106275345 261324149 /nfs/dbraw/zinc/32/41/49/261324149.db2.gz HZNQWJSQIQGRNR-CQSZACIVSA-N 0 3 279.428 2.611 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000491201043 261368132 /nfs/dbraw/zinc/36/81/32/261368132.db2.gz FEMAWYJHWSFXIF-AWEZNQCLSA-N 0 3 267.376 2.849 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccnc(N3CCCC3)c2)C1 ZINC000185711431 262067704 /nfs/dbraw/zinc/06/77/04/262067704.db2.gz ZKFBGZOWPBBOIW-GOEBONIOSA-N 0 3 284.407 2.854 20 30 CFEDHN CCCCCCCCN1CCc2nn(CC)c(=O)cc2C1 ZINC000364029177 262108844 /nfs/dbraw/zinc/10/88/44/262108844.db2.gz AXHPXMXXLVLFMN-UHFFFAOYSA-N 0 3 291.439 2.982 20 30 CFEDHN CC(C#N)C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000525770650 262166338 /nfs/dbraw/zinc/16/63/38/262166338.db2.gz XFEHYCUSQLYWRD-CYBMUJFWSA-N 0 3 278.396 2.734 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2cccc(N3CCCC3=O)c2)C1 ZINC000192668993 262208635 /nfs/dbraw/zinc/20/86/35/262208635.db2.gz MWBDWSCDULDIQS-GDBMZVCRSA-N 0 3 297.402 2.985 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000192761922 262210797 /nfs/dbraw/zinc/21/07/97/262210797.db2.gz SVRSQPQXGHQSSC-GDBMZVCRSA-N 0 3 297.402 2.638 20 30 CFEDHN CCc1noc(CC)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000192945421 262212549 /nfs/dbraw/zinc/21/25/49/262212549.db2.gz ODFZHENLOZCTQO-NWDGAFQWSA-N 0 3 261.369 2.971 20 30 CFEDHN C=CC[C@H](CO)NCc1cc(Br)ccc1F ZINC000184268124 262275473 /nfs/dbraw/zinc/27/54/73/262275473.db2.gz GZXKDIRVTAZSCR-LLVKDONJSA-N 0 3 288.160 2.615 20 30 CFEDHN C=CC1CCN(CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000111260009 262259263 /nfs/dbraw/zinc/25/92/63/262259263.db2.gz WHELXKRTEUSQRP-UHFFFAOYSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCCC2(CCCCC2)C1 ZINC000111323669 262259732 /nfs/dbraw/zinc/25/97/32/262259732.db2.gz ZUWFAJWWTNOZNI-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN C[C@@H](CC1CCOCC1)CN(C)CC(C)(C)C#N ZINC000354019176 262276730 /nfs/dbraw/zinc/27/67/30/262276730.db2.gz VCIDRKOHVOSGPW-ZDUSSCGKSA-N 0 3 252.402 2.921 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC(C)(C(C)C)CC1 ZINC000186192544 262312743 /nfs/dbraw/zinc/31/27/43/262312743.db2.gz WIBCTJJBGYNSCF-UHFFFAOYSA-N 0 3 279.428 2.507 20 30 CFEDHN C=CC1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000111632144 262353672 /nfs/dbraw/zinc/35/36/72/262353672.db2.gz IRILVTJTKXTFMZ-MJBXVCDLSA-N 0 3 264.413 2.672 20 30 CFEDHN C=CCCCN1CCCN(C(=O)C(C)(C)C)CC1 ZINC000365321552 262360290 /nfs/dbraw/zinc/36/02/90/262360290.db2.gz SKXMRCCANGEBNC-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN N#Cc1ccccc1CSCCNCC1(F)CC1 ZINC000525981865 262374338 /nfs/dbraw/zinc/37/43/38/262374338.db2.gz BFUFJPICWBZANC-UHFFFAOYSA-N 0 3 264.369 2.883 20 30 CFEDHN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000339069733 262593088 /nfs/dbraw/zinc/59/30/88/262593088.db2.gz VECZEZCFVMXLHU-HUBLWGQQSA-N 0 3 283.375 2.914 20 30 CFEDHN CO[C@@H](CNCc1cccc(OCCCC#N)c1)C1CC1 ZINC000339527938 262651394 /nfs/dbraw/zinc/65/13/94/262651394.db2.gz YBSPDJHDJLDSCC-KRWDZBQOSA-N 0 3 288.391 2.884 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000411552725 262698941 /nfs/dbraw/zinc/69/89/41/262698941.db2.gz HIMWDINQBNRXMI-AWEZNQCLSA-N 0 3 290.382 2.887 20 30 CFEDHN C=CC[C@@H]1N(C(=O)[C@H](CC)N(C)C)CCCC1(C)C ZINC000413790406 262787222 /nfs/dbraw/zinc/78/72/22/262787222.db2.gz WXAFOSKBSASZDO-KBPBESRZSA-N 0 3 266.429 2.920 20 30 CFEDHN C=CCNC(=O)CN[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000414108433 262806343 /nfs/dbraw/zinc/80/63/43/262806343.db2.gz LRTMPLXGVGGVDU-ZFWWWQNUSA-N 0 3 292.810 2.868 20 30 CFEDHN C=C[C@@H](C)NCc1cn(-c2cccc(F)c2)nc1C ZINC000414382237 262887441 /nfs/dbraw/zinc/88/74/41/262887441.db2.gz RBEZTXXVEUCPBC-LLVKDONJSA-N 0 3 259.328 2.984 20 30 CFEDHN CN(C)Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000414497988 262965183 /nfs/dbraw/zinc/96/51/83/262965183.db2.gz LWMDTPJXDCICGU-WCQYABFASA-N 0 3 261.344 2.991 20 30 CFEDHN CC(C)(C#N)CCN[C@H](CN1CCCC1=O)c1ccccc1 ZINC000272041360 263001474 /nfs/dbraw/zinc/00/14/74/263001474.db2.gz RFKOWTDHFWFVMV-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN Cc1ccc([C@@H](O)CN2CCC(C)(C#N)CC2)cc1 ZINC000272513904 263005657 /nfs/dbraw/zinc/00/56/57/263005657.db2.gz GOCHWMWTKBBBIV-HNNXBMFYSA-N 0 3 258.365 2.654 20 30 CFEDHN CCOC(=O)CCN(CCCCC#N)Cc1cccnc1 ZINC000272751610 263008613 /nfs/dbraw/zinc/00/86/13/263008613.db2.gz LVVMVFAAPZZZGP-UHFFFAOYSA-N 0 3 289.379 2.531 20 30 CFEDHN C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)C1=CCN(C)CC1 ZINC000273056407 263011759 /nfs/dbraw/zinc/01/17/59/263011759.db2.gz YAIUWLXKHXABFE-CYBMUJFWSA-N 0 3 298.390 2.525 20 30 CFEDHN CC[C@@H]1CC[C@H](C)N(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000451956878 263013758 /nfs/dbraw/zinc/01/37/58/263013758.db2.gz SFEZPVCAFGNARJ-SOUVJXGZSA-N 0 3 279.428 2.505 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC000274225009 263022170 /nfs/dbraw/zinc/02/21/70/263022170.db2.gz QVXNQXSHTJEWHN-SUMWQHHRSA-N 0 3 297.402 2.751 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274630032 263028240 /nfs/dbraw/zinc/02/82/40/263028240.db2.gz ONPXETBFBCUSKE-ZOWXZIJZSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000274785884 263030294 /nfs/dbraw/zinc/03/02/94/263030294.db2.gz MFQXCEKXGRXFSC-QGZVFWFLSA-N 0 3 269.392 2.835 20 30 CFEDHN C[C@@H](CCC#N)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000276300699 263036156 /nfs/dbraw/zinc/03/61/56/263036156.db2.gz JWSAJLIKGOTFDU-INIZCTEOSA-N 0 3 296.418 2.758 20 30 CFEDHN Cc1ccccc1C(=O)NC1CCN([C@@H](C)CCC#N)CC1 ZINC000276308875 263036166 /nfs/dbraw/zinc/03/61/66/263036166.db2.gz LORBTPNDCWPODW-HNNXBMFYSA-N 0 3 299.418 2.882 20 30 CFEDHN CC(C)(C#N)CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000278580527 263049025 /nfs/dbraw/zinc/04/90/25/263049025.db2.gz RVSTZEKMDYFLBZ-UHFFFAOYSA-N 0 3 299.418 2.707 20 30 CFEDHN C[C@@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279348068 263054908 /nfs/dbraw/zinc/05/49/08/263054908.db2.gz QFJWLXLNWHQVDF-PBHICJAKSA-N 0 3 295.386 2.889 20 30 CFEDHN CC[C@H](C)[C@@H](C)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279430618 263055317 /nfs/dbraw/zinc/05/53/17/263055317.db2.gz XRCHXKVUCUIKMD-ZENOOKHLSA-N 0 3 283.375 2.791 20 30 CFEDHN CCC[C@H](C)N(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279698901 263056846 /nfs/dbraw/zinc/05/68/46/263056846.db2.gz JCUDLGORZZTLJC-BBRMVZONSA-N 0 3 283.375 2.888 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1C[C@@H](O)C(C)(C)C1 ZINC000279953098 263058499 /nfs/dbraw/zinc/05/84/99/263058499.db2.gz XWFOPJIXHWEVFZ-OAHLLOKOSA-N 0 3 272.392 2.690 20 30 CFEDHN C[C@@H]1CCCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000280174821 263059319 /nfs/dbraw/zinc/05/93/19/263059319.db2.gz XTEBJVXJRIOXSC-PBHICJAKSA-N 0 3 295.386 2.889 20 30 CFEDHN CCC1(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280174195 263059472 /nfs/dbraw/zinc/05/94/72/263059472.db2.gz SQXCVBBXRVGOMW-HNNXBMFYSA-N 0 3 281.359 2.547 20 30 CFEDHN C=CCC(C)(C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000340048331 263059858 /nfs/dbraw/zinc/05/98/58/263059858.db2.gz SIWLPGREVXZLKZ-KBPBESRZSA-N 0 3 266.429 2.968 20 30 CFEDHN C[C@H]1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280375629 263060892 /nfs/dbraw/zinc/06/08/92/263060892.db2.gz JPWWJBUIXSAQRA-JQFCIGGWSA-N 0 3 295.386 2.935 20 30 CFEDHN CC[C@@H](C)CN(C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280399382 263061040 /nfs/dbraw/zinc/06/10/40/263061040.db2.gz KTFKKSWEQSECRF-CJNGLKHVSA-N 0 3 283.375 2.745 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)N1CCCC[C@@H]1C ZINC000340066738 263065594 /nfs/dbraw/zinc/06/55/94/263065594.db2.gz INVLMDZFNGGNKY-GJZGRUSLSA-N 0 3 299.418 2.745 20 30 CFEDHN CN(CCCC1(C#N)CCOCC1)Cc1ccco1 ZINC000281143710 263066884 /nfs/dbraw/zinc/06/68/84/263066884.db2.gz AVVMKZFSIZPHCK-UHFFFAOYSA-N 0 3 262.353 2.812 20 30 CFEDHN CN(CCN(C)C1CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000281537692 263070050 /nfs/dbraw/zinc/07/00/50/263070050.db2.gz JJWKOGWLYYDUJG-UHFFFAOYSA-N 0 3 299.418 2.654 20 30 CFEDHN CC[C@](C)(C#N)C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000285763097 263095561 /nfs/dbraw/zinc/09/55/61/263095561.db2.gz MQFNCGDPWUPZRZ-MRXNPFEDSA-N 0 3 273.380 2.935 20 30 CFEDHN CON(CC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000286508316 263098713 /nfs/dbraw/zinc/09/87/13/263098713.db2.gz NKWDTKZYUBLYBR-OAHLLOKOSA-N 0 3 299.374 2.677 20 30 CFEDHN CON(CC(C)(C)C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000286508309 263098743 /nfs/dbraw/zinc/09/87/43/263098743.db2.gz NKWDTKZYUBLYBR-HNNXBMFYSA-N 0 3 299.374 2.677 20 30 CFEDHN N#CCCCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292110438 263128546 /nfs/dbraw/zinc/12/85/46/263128546.db2.gz HAWYXKKLLQAKFF-UHFFFAOYSA-N 0 3 289.354 2.583 20 30 CFEDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCC#N ZINC000292120309 263128636 /nfs/dbraw/zinc/12/86/36/263128636.db2.gz NAVWXWIGHWYOFP-DOTOQJQBSA-N 0 3 299.418 2.707 20 30 CFEDHN N#CCCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000292245959 263129995 /nfs/dbraw/zinc/12/99/95/263129995.db2.gz GSRJTONNXYOPPX-KRWDZBQOSA-N 0 3 299.418 2.851 20 30 CFEDHN CN(CCOCCC#N)CCc1ccc(Cl)cc1 ZINC000293128833 263138050 /nfs/dbraw/zinc/13/80/50/263138050.db2.gz PPSFJJGKPJNMDK-UHFFFAOYSA-N 0 3 266.772 2.745 20 30 CFEDHN CSc1ccccc1CN(C)CCOCCC#N ZINC000293683644 263146634 /nfs/dbraw/zinc/14/66/34/263146634.db2.gz ARIBLFCKQURAIZ-UHFFFAOYSA-N 0 3 264.394 2.771 20 30 CFEDHN Cc1cc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)n[nH]1 ZINC000293805481 263149888 /nfs/dbraw/zinc/14/98/88/263149888.db2.gz NTZXUPMADVMCIL-TZMCWYRMSA-N 0 3 258.369 2.590 20 30 CFEDHN Cc1cc(C2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)[nH]n1 ZINC000293805481 263149889 /nfs/dbraw/zinc/14/98/89/263149889.db2.gz NTZXUPMADVMCIL-TZMCWYRMSA-N 0 3 258.369 2.590 20 30 CFEDHN N#CCCOCCN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000293956868 263153146 /nfs/dbraw/zinc/15/31/46/263153146.db2.gz CEVRVQQXTPYKHV-HUUCEWRRSA-N 0 3 294.782 2.690 20 30 CFEDHN CC[C@@H](NCCCC#N)c1ccc(C(=O)OC)cc1 ZINC000293964309 263153382 /nfs/dbraw/zinc/15/33/82/263153382.db2.gz AGPOHDBGKDUKQM-CQSZACIVSA-N 0 3 260.337 2.818 20 30 CFEDHN CCn1nccc1C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000294280756 263159198 /nfs/dbraw/zinc/15/91/98/263159198.db2.gz VZJAPCOPBZGBBX-DZGCQCFKSA-N 0 3 272.396 2.775 20 30 CFEDHN Cn1c2ccccc2nc1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000294943880 263169697 /nfs/dbraw/zinc/16/96/97/263169697.db2.gz CNBBPVGZDYTGHY-STQMWFEESA-N 0 3 268.364 2.745 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CCCc2c(Br)cccc21 ZINC000353570540 263175506 /nfs/dbraw/zinc/17/55/06/263175506.db2.gz TXTYSIMSZWJJJB-YGRLFVJLSA-N 0 3 296.208 2.963 20 30 CFEDHN CN(C)Cc1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000295578707 263179927 /nfs/dbraw/zinc/17/99/27/263179927.db2.gz PVXAWPKZIRWIPP-BBRMVZONSA-N 0 3 285.391 2.560 20 30 CFEDHN CN(CCCCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296333915 263190200 /nfs/dbraw/zinc/19/02/00/263190200.db2.gz PMIWMBHIZXJHRJ-AWEZNQCLSA-N 0 3 266.772 2.999 20 30 CFEDHN C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)C ZINC000298471398 263220057 /nfs/dbraw/zinc/22/00/57/263220057.db2.gz CDMFGCSJPXACRP-LBPRGKRZSA-N 0 3 288.395 2.559 20 30 CFEDHN C[C@@H](CCC#N)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000298582788 263222621 /nfs/dbraw/zinc/22/26/21/263222621.db2.gz RDQWXROQPPMVMO-LBPRGKRZSA-N 0 3 277.343 2.756 20 30 CFEDHN CC(C)(C#N)C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374252036 263260405 /nfs/dbraw/zinc/26/04/05/263260405.db2.gz SKHIWACXNWZKBA-SFHVURJKSA-N 0 3 299.418 2.565 20 30 CFEDHN C=CCCCN(C)CC(=O)NCc1ccc(C)cc1 ZINC000121165776 263292214 /nfs/dbraw/zinc/29/22/14/263292214.db2.gz WZFJZDUDJRLKJR-UHFFFAOYSA-N 0 3 260.381 2.509 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000340853927 263309007 /nfs/dbraw/zinc/30/90/07/263309007.db2.gz UQSFAUCSSIDEKA-VBQJREDUSA-N 0 3 296.455 2.593 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cccc(CC#N)c1 ZINC000341042138 263318821 /nfs/dbraw/zinc/31/88/21/263318821.db2.gz QOWAJMUDPLOIET-HUUCEWRRSA-N 0 3 299.418 2.745 20 30 CFEDHN C=CC[C@H](CO)CNCc1cccc2c1OC(C)(C)C2 ZINC000341281412 263330245 /nfs/dbraw/zinc/33/02/45/263330245.db2.gz CXPNKZDSFVIEML-ZDUSSCGKSA-N 0 3 275.392 2.674 20 30 CFEDHN C=CC[C@H](CO)CNCc1nc2cc(Cl)ccc2n1C ZINC000341326787 263331545 /nfs/dbraw/zinc/33/15/45/263331545.db2.gz XXYMIIFKPAXSFL-NSHDSACASA-N 0 3 293.798 2.501 20 30 CFEDHN C=CCC(C)(C)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000341811101 263355228 /nfs/dbraw/zinc/35/52/28/263355228.db2.gz SEPFHAZBAMBNBC-UHFFFAOYSA-N 0 3 296.455 2.594 20 30 CFEDHN N#CCCCN(Cc1ccccc1)CC1(CO)CC1 ZINC000341944924 263368094 /nfs/dbraw/zinc/36/80/94/263368094.db2.gz SWHOQFMKTJAMAV-UHFFFAOYSA-N 0 3 258.365 2.565 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000342009782 263377302 /nfs/dbraw/zinc/37/73/02/263377302.db2.gz BSWUDSPDPSEXJE-HUUCEWRRSA-N 0 3 264.413 2.676 20 30 CFEDHN C=C1CCN(C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000342019702 263379589 /nfs/dbraw/zinc/37/95/89/263379589.db2.gz ZMUKSFQIGQYKLQ-INIZCTEOSA-N 0 3 275.392 2.695 20 30 CFEDHN COCC1(C#N)CCN(CCCc2ccccc2)CC1 ZINC000341984872 263379949 /nfs/dbraw/zinc/37/99/49/263379949.db2.gz HLIGICLNYIGUPM-UHFFFAOYSA-N 0 3 272.392 2.871 20 30 CFEDHN C=CCCN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000342043942 263383213 /nfs/dbraw/zinc/38/32/13/263383213.db2.gz VERZTMAEPFDJFJ-INIZCTEOSA-N 0 3 272.392 2.686 20 30 CFEDHN C=C1CCN(C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000342159941 263401858 /nfs/dbraw/zinc/40/18/58/263401858.db2.gz KBLXTQOVVBFBGR-MRXNPFEDSA-N 0 3 275.392 2.695 20 30 CFEDHN CC(C)(C)OC1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334300212 263570885 /nfs/dbraw/zinc/57/08/85/263570885.db2.gz TUCQMFDEKSTDCM-QWHCGFSZSA-N 0 3 250.386 2.958 20 30 CFEDHN CN(C)Cc1cccc(C(=O)NC(C)(C)C(C)(C)O)c1 ZINC000330634904 264001872 /nfs/dbraw/zinc/00/18/72/264001872.db2.gz UEVMMSMWVKSAIW-UHFFFAOYSA-N 0 3 278.396 2.602 20 30 CFEDHN CC1CCN(C[C@H](O)CNC(=O)C2=CCCCC2)CC1 ZINC000330870061 264058900 /nfs/dbraw/zinc/05/89/00/264058900.db2.gz QITFOSLRZYSZPG-OAHLLOKOSA-N 0 3 280.412 2.536 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@H]1CC=CCC1 ZINC000330852005 264068328 /nfs/dbraw/zinc/06/83/28/264068328.db2.gz QLTHDAKVHIAPJI-VYDXJSESSA-N 0 3 291.439 2.717 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000331093516 264120179 /nfs/dbraw/zinc/12/01/79/264120179.db2.gz JTYKQIKLUYMCNQ-HUUCEWRRSA-N 0 3 271.364 2.745 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)CN(C)C(C)C ZINC000126158722 264121721 /nfs/dbraw/zinc/12/17/21/264121721.db2.gz XTTCWQPFIPNRID-UHFFFAOYSA-N 0 3 260.381 2.541 20 30 CFEDHN CCc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)c([O-])c1 ZINC000331227259 264150548 /nfs/dbraw/zinc/15/05/48/264150548.db2.gz DNKGAJMFXJPZGZ-UHFFFAOYSA-N 0 3 290.407 2.991 20 30 CFEDHN CCOc1nccc(C)c1C(=O)NC[C@H]1CCCN1CC ZINC000331213333 264163616 /nfs/dbraw/zinc/16/36/16/264163616.db2.gz LRGLKRKGKKSUEI-CYBMUJFWSA-N 0 3 291.395 2.578 20 30 CFEDHN CCc1ccc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c([O-])c1 ZINC000331240328 264176071 /nfs/dbraw/zinc/17/60/71/264176071.db2.gz PNJHAYQSOQWQGY-OLZOCXBDSA-N 0 3 276.380 2.742 20 30 CFEDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000331333499 264193083 /nfs/dbraw/zinc/19/30/83/264193083.db2.gz VZYNADZTFFGBRG-VXGBXAGGSA-N 0 3 291.351 2.691 20 30 CFEDHN C[C@H](CNC(=O)c1cccc(CC#N)c1)N1CCC[C@H](C)C1 ZINC000334006689 264232390 /nfs/dbraw/zinc/23/23/90/264232390.db2.gz BMNPLPUPRGGDFJ-LSDHHAIUSA-N 0 3 299.418 2.603 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNCc1cnc(C)nc1)C(C)C ZINC000343270851 264291196 /nfs/dbraw/zinc/29/11/96/264291196.db2.gz GSNCCGKIZZEUFJ-KRWDZBQOSA-N 0 3 288.439 2.573 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(Br)s1 ZINC000320529267 264800152 /nfs/dbraw/zinc/80/01/52/264800152.db2.gz PPMXZUQAGPQRDJ-VIFPVBQESA-N 0 3 290.226 2.927 20 30 CFEDHN C#CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000185208455 265005794 /nfs/dbraw/zinc/00/57/94/265005794.db2.gz AUMVWFLHTFVRAL-UHFFFAOYSA-N 0 3 288.391 2.615 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@H](C(=O)OC)[C@H]2C)cc1 ZINC000347276479 265127285 /nfs/dbraw/zinc/12/72/85/265127285.db2.gz LDUQINUHLRDQDK-CZUORRHYSA-N 0 3 289.375 2.635 20 30 CFEDHN CC1(C#N)CCN(CCCN2CCC(C)(C#N)CC2)CC1 ZINC000356462159 266119730 /nfs/dbraw/zinc/11/97/30/266119730.db2.gz UFRZKFOVZAXMLE-UHFFFAOYSA-N 0 3 288.439 2.628 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCCN1C ZINC000356742726 266166732 /nfs/dbraw/zinc/16/67/32/266166732.db2.gz TVNPCECLCWBQAY-CJNGLKHVSA-N 0 3 299.418 2.700 20 30 CFEDHN C=CCCC1(C(=O)N[C@H]2CCCN(C(C)C)C2)CC1 ZINC000356804579 266178616 /nfs/dbraw/zinc/17/86/16/266178616.db2.gz HJZQTCJQEDVBDL-AWEZNQCLSA-N 0 3 264.413 2.722 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000458807855 266221866 /nfs/dbraw/zinc/22/18/66/266221866.db2.gz GWUSZGAFMSKTOB-KGLIPLIRSA-N 0 3 281.444 2.570 20 30 CFEDHN COc1ccc([C@H](NC(=O)C(C)C#N)C(F)(F)F)cc1 ZINC000357055986 266239975 /nfs/dbraw/zinc/23/99/75/266239975.db2.gz WZSZJZABODPMNJ-KCJUWKMLSA-N 0 3 286.253 2.574 20 30 CFEDHN COc1ccccc1C[C@H](NC(=O)C(C)C#N)C(C)C ZINC000357311809 266273913 /nfs/dbraw/zinc/27/39/13/266273913.db2.gz XJHDBFIDLGBMBI-OCCSQVGLSA-N 0 3 274.364 2.538 20 30 CFEDHN CCCN(CCC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000357643726 266338611 /nfs/dbraw/zinc/33/86/11/266338611.db2.gz BASVQNRJRGPNFE-UKRRQHHQSA-N 0 3 267.417 2.551 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000357524222 266315587 /nfs/dbraw/zinc/31/55/87/266315587.db2.gz BLIMNPZYWUBTHN-HUUCEWRRSA-N 0 3 291.439 2.934 20 30 CFEDHN C=CCc1ccccc1OC[C@H](O)CN(CC=C)C1CC1 ZINC000357556460 266323560 /nfs/dbraw/zinc/32/35/60/266323560.db2.gz UQSOCFBXVZMKML-QGZVFWFLSA-N 0 3 287.403 2.805 20 30 CFEDHN CCN(CC)Cc1cccc(NC(=O)[C@@H](C)C#N)c1 ZINC000357807266 266368974 /nfs/dbraw/zinc/36/89/74/266368974.db2.gz BVYLCSJYAQSPSW-LBPRGKRZSA-N 0 3 259.353 2.627 20 30 CFEDHN COc1ccc([C@H]2CCCN2C(=O)C(C)C#N)c(OC)c1 ZINC000357837331 266374441 /nfs/dbraw/zinc/37/44/41/266374441.db2.gz SJZXOBXPWXPUDM-BXUZGUMPSA-N 0 3 288.347 2.527 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000357841836 266376052 /nfs/dbraw/zinc/37/60/52/266376052.db2.gz ZROHFASIRRUFGY-NEPJUHHUSA-N 0 3 255.321 2.627 20 30 CFEDHN N#CC(C(=O)c1ccc(OC(F)F)cn1)c1ccccn1 ZINC000357987246 266392686 /nfs/dbraw/zinc/39/26/86/266392686.db2.gz AATIDRCULOFCDD-SNVBAGLBSA-N 0 3 289.241 2.568 20 30 CFEDHN C=CC[C@@H]1N(C(=O)N[C@@H](C)CN(C)C)CCCC1(C)C ZINC000358524751 266473699 /nfs/dbraw/zinc/47/36/99/266473699.db2.gz NJWAMOXPCJCDJB-KBPBESRZSA-N 0 3 281.444 2.713 20 30 CFEDHN C[C@@H]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000358023393 267025988 /nfs/dbraw/zinc/02/59/88/267025988.db2.gz VXVCVHWLTDBUMQ-KBRIMQKVSA-N 0 3 295.386 2.793 20 30 CFEDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1cc(C#N)cs1 ZINC000227684247 267160987 /nfs/dbraw/zinc/16/09/87/267160987.db2.gz VVFGFNMFPKGMNC-SNVBAGLBSA-N 0 3 295.408 2.623 20 30 CFEDHN CCCCCCCCN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000368348849 267165285 /nfs/dbraw/zinc/16/52/85/267165285.db2.gz OHGTXWQDAOIBPL-CQSZACIVSA-N 0 3 275.458 2.713 20 30 CFEDHN N#CCCCCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000368862135 267209453 /nfs/dbraw/zinc/20/94/53/267209453.db2.gz DQSPVZFOUJQDJQ-UHFFFAOYSA-N 0 3 274.368 2.820 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCCCCC[C@H]21 ZINC000369462199 267244297 /nfs/dbraw/zinc/24/42/97/267244297.db2.gz JSNMSHFOAGBANZ-OWCLPIDISA-N 0 3 291.439 2.649 20 30 CFEDHN CC#CCN(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000369625127 267255693 /nfs/dbraw/zinc/25/56/93/267255693.db2.gz GSTNOSSLIZFKOH-UHFFFAOYSA-N 0 3 292.423 2.874 20 30 CFEDHN CC(C)(C#N)CCCCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369878580 267272993 /nfs/dbraw/zinc/27/29/93/267272993.db2.gz SCAUJNPTZXNTPF-QGZVFWFLSA-N 0 3 294.439 2.976 20 30 CFEDHN C=CCN(C(=O)NC1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000370356232 267311045 /nfs/dbraw/zinc/31/10/45/267311045.db2.gz YWRBMGRCKRQDQV-QGZVFWFLSA-N 0 3 299.418 2.621 20 30 CFEDHN C#CCCCC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000370621639 267332736 /nfs/dbraw/zinc/33/27/36/267332736.db2.gz GPVLLWXOZRMHDT-IBGZPJMESA-N 0 3 298.430 2.818 20 30 CFEDHN Cn1cccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC000370684394 267338783 /nfs/dbraw/zinc/33/87/83/267338783.db2.gz OHFPOBUBPGWUHV-UHFFFAOYSA-N 0 3 265.360 2.739 20 30 CFEDHN C#CCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000371205420 267370445 /nfs/dbraw/zinc/37/04/45/267370445.db2.gz RSBTZOVEUHPCGK-INIZCTEOSA-N 0 3 261.340 2.594 20 30 CFEDHN C=C(C)CN(CC)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000120108014 267381337 /nfs/dbraw/zinc/38/13/37/267381337.db2.gz CLZSQSGCCOZGCW-ZNMIVQPWSA-N 0 3 266.429 2.777 20 30 CFEDHN CC(C)(CCC#N)CN1CCC[C@H](N2CCCCC2=O)C1 ZINC000371378412 267397185 /nfs/dbraw/zinc/39/71/85/267397185.db2.gz IOSGXHHJJJKOGB-HNNXBMFYSA-N 0 3 291.439 2.793 20 30 CFEDHN Cc1c([C@@H]2CCCN2CCCSCC#N)cnn1C ZINC000371377766 267397611 /nfs/dbraw/zinc/39/76/11/267397611.db2.gz FMWFNOZYTXQEBO-AWEZNQCLSA-N 0 3 278.425 2.512 20 30 CFEDHN Cn1cc(CNCC2(CC#N)CC2)c(-c2cccs2)n1 ZINC000373782022 267710002 /nfs/dbraw/zinc/71/00/02/267710002.db2.gz JTGYXXCWLFATDZ-UHFFFAOYSA-N 0 3 286.404 2.932 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000376876474 268026589 /nfs/dbraw/zinc/02/65/89/268026589.db2.gz WGPVTTFRBKJUCX-FUHWJXTLSA-N 0 3 299.418 2.707 20 30 CFEDHN C#CCC(C)(C)C(=O)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000376881459 268027536 /nfs/dbraw/zinc/02/75/36/268027536.db2.gz CRZZATNRDQSJDX-QGZVFWFLSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CCC[C@H](O)CN(C)[C@H]1CCCc2cccnc21 ZINC000377247966 268060361 /nfs/dbraw/zinc/06/03/61/268060361.db2.gz CVHHOYDUVJYKCD-GJZGRUSLSA-N 0 3 260.381 2.718 20 30 CFEDHN N#Cc1cccc(CN2CCSC[C@H]2C2CC2)c1 ZINC000334678383 268247709 /nfs/dbraw/zinc/24/77/09/268247709.db2.gz AJTWCWVESSDGEU-HNNXBMFYSA-N 0 3 258.390 2.886 20 30 CFEDHN N#Cc1cccc(NC(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000528861894 268280320 /nfs/dbraw/zinc/28/03/20/268280320.db2.gz IUSYPUVPBUQOOD-INIZCTEOSA-N 0 3 298.390 2.697 20 30 CFEDHN C[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(C#N)cc1 ZINC000030532718 270224550 /nfs/dbraw/zinc/22/45/50/270224550.db2.gz XZSACOCQUBRWBM-RHSMWYFYSA-N 0 3 296.370 2.649 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000343496428 273486748 /nfs/dbraw/zinc/48/67/48/273486748.db2.gz FTTWGVVOHWRIEC-YOEHRIQHSA-N 0 3 297.402 2.776 20 30 CFEDHN C[C@@H]1CCCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000187970155 274284597 /nfs/dbraw/zinc/28/45/97/274284597.db2.gz TUFUFIGCCFAEJC-RHSMWYFYSA-N 0 3 297.402 2.786 20 30 CFEDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1nccc(C#N)c1Cl ZINC000343812320 274438864 /nfs/dbraw/zinc/43/88/64/274438864.db2.gz VSXNRBMRCFMDHL-DGCLKSJQSA-N 0 3 290.798 2.670 20 30 CFEDHN C=C[C@H](CO)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000289638766 275438191 /nfs/dbraw/zinc/43/81/91/275438191.db2.gz FOSAJRSPKYNPAO-VHSXEESVSA-N 0 3 259.271 2.903 20 30 CFEDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(C#N)ccc1C ZINC000274680444 275951314 /nfs/dbraw/zinc/95/13/14/275951314.db2.gz NPDDXDYHLSVDKQ-LBPRGKRZSA-N 0 3 273.380 2.972 20 30 CFEDHN CC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CCCCC1 ZINC000357280395 276168137 /nfs/dbraw/zinc/16/81/37/276168137.db2.gz FGKMKUMKKKTSAU-OAHLLOKOSA-N 0 3 285.391 2.645 20 30 CFEDHN CN1CC[C@@H]2[C@H](CCCN2c2nc(Cl)c(C#N)s2)C1 ZINC000278763158 277158078 /nfs/dbraw/zinc/15/80/78/277158078.db2.gz UBDNPZYFCKJMOT-NXEZZACHSA-N 0 3 296.827 2.589 20 30 CFEDHN COc1ccc(C#N)cc1CN(C[C@H](C)OC)C(C)C ZINC000438063762 277399824 /nfs/dbraw/zinc/39/98/24/277399824.db2.gz DBHSDZKJIASQLM-ZDUSSCGKSA-N 0 3 276.380 2.812 20 30 CFEDHN COC[C@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356108674 277587238 /nfs/dbraw/zinc/58/72/38/277587238.db2.gz PCDOVSZCFANWOA-VIFPVBQESA-N 0 3 272.270 2.702 20 30 CFEDHN C[C@H](C1CC1)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248758615 278160118 /nfs/dbraw/zinc/16/01/18/278160118.db2.gz QAWSRJORXVFBSG-DYVFJYSZSA-N 0 3 297.402 2.784 20 30 CFEDHN CS[C@H]1CN(c2cc(Cl)ccc2C#N)C[C@@H]1N(C)C ZINC000340756556 278167636 /nfs/dbraw/zinc/16/76/36/278167636.db2.gz VSLAVIGVZLVWTM-KBPBESRZSA-N 0 3 295.839 2.693 20 30 CFEDHN CC(C)(C#N)c1ccccc1CN1CCCC[C@@H]1CO ZINC000159798999 278259474 /nfs/dbraw/zinc/25/94/74/278259474.db2.gz UGFOWDLGPLWQOR-OAHLLOKOSA-N 0 3 272.392 2.835 20 30 CFEDHN C[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000162817562 278337273 /nfs/dbraw/zinc/33/72/73/278337273.db2.gz UYDQDZRQNQNHHP-OCCSQVGLSA-N 0 3 263.768 2.706 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC(N2CCCC2=O)CC1 ZINC000118397837 278411926 /nfs/dbraw/zinc/41/19/26/278411926.db2.gz MXTFCMSJUIUGHF-AWEZNQCLSA-N 0 3 297.402 2.706 20 30 CFEDHN CC[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@H](O)C(F)F ZINC000296233551 288080598 /nfs/dbraw/zinc/08/05/98/288080598.db2.gz CDURDVPWUCVTKL-ICCXJUOJSA-N 0 3 268.307 2.613 20 30 CFEDHN C[C@H](NCCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000134508229 279465030 /nfs/dbraw/zinc/46/50/30/279465030.db2.gz NLBVHEFTZIBPNY-LBPRGKRZSA-N 0 3 273.380 2.514 20 30 CFEDHN C[C@]1(NCC#Cc2ccccc2)CCO[C@H]1C1CC1 ZINC000276920219 280167417 /nfs/dbraw/zinc/16/74/17/280167417.db2.gz HBJKSISKNLSIGM-IRXDYDNUSA-N 0 3 255.361 2.585 20 30 CFEDHN Cc1cccc(NCCNCc2ccc(C#N)s2)n1 ZINC000133494216 280744450 /nfs/dbraw/zinc/74/44/50/280744450.db2.gz PKFIDLBPPXZBQN-UHFFFAOYSA-N 0 3 272.377 2.525 20 30 CFEDHN N#Cc1ccc(CNCCOC2CCCC2)s1 ZINC000135687267 280777012 /nfs/dbraw/zinc/77/70/12/280777012.db2.gz ZSYGTVQAPUVTCS-UHFFFAOYSA-N 0 3 250.367 2.669 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)s1)N1CCC[C@@H](C)C1 ZINC000247297973 281009253 /nfs/dbraw/zinc/00/92/53/281009253.db2.gz HWNPBFIYLHMPGB-CHWSQXEVSA-N 0 3 277.437 2.830 20 30 CFEDHN CC[C@H](NCC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000538389562 281552595 /nfs/dbraw/zinc/55/25/95/281552595.db2.gz HAMMKUITFKKDKH-AWEZNQCLSA-N 0 3 273.380 2.911 20 30 CFEDHN Cc1nc2ccccc2n1C1CCN(C(=O)C(C)C#N)CC1 ZINC000336412536 282076647 /nfs/dbraw/zinc/07/66/47/282076647.db2.gz WHZFEGLYBOMCDS-GFCCVEGCSA-N 0 3 296.374 2.668 20 30 CFEDHN N#Cc1cnccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000307719287 290011123 /nfs/dbraw/zinc/01/11/23/290011123.db2.gz RDIFRKZDWCYVTL-MRXNPFEDSA-N 0 3 278.359 2.640 20 30 CFEDHN Cc1csc(NC(=O)NCCN2CCCCC2)c1C#N ZINC000562443615 290043819 /nfs/dbraw/zinc/04/38/19/290043819.db2.gz KSLAGSHVLFRHDL-UHFFFAOYSA-N 0 3 292.408 2.536 20 30 CFEDHN CC[C@@H](C)CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563215013 290119244 /nfs/dbraw/zinc/11/92/44/290119244.db2.gz BFIATDRZXWPMCT-LLVKDONJSA-N 0 3 261.325 2.944 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2NCCc3ccccc32)c1 ZINC000564088786 290192335 /nfs/dbraw/zinc/19/23/35/290192335.db2.gz AXZUPJFUWSBHOH-SFHVURJKSA-N 0 3 277.371 2.535 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2c2snc(Cl)c2C#N)C1 ZINC000271397386 290241211 /nfs/dbraw/zinc/24/12/11/290241211.db2.gz RCLAAGKZCJADQQ-ONGXEEELSA-N 0 3 296.827 2.589 20 30 CFEDHN CC(C)(C)[C@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564986956 290255253 /nfs/dbraw/zinc/25/52/53/290255253.db2.gz XEXYTWUTCFSXSZ-HNNXBMFYSA-N 0 3 297.406 2.859 20 30 CFEDHN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000178650992 301073970 /nfs/dbraw/zinc/07/39/70/301073970.db2.gz VKKJUATXEYDEGB-MRXNPFEDSA-N 0 3 297.402 2.567 20 30 CFEDHN C=CC[C@H](CO)CNCc1csc(Br)c1 ZINC000308863794 327789651 /nfs/dbraw/zinc/78/96/51/327789651.db2.gz CUICDZPPEXVBLJ-VIFPVBQESA-N 0 3 290.226 2.785 20 30 CFEDHN C=CCNC(=O)CN[C@@H](C)c1ccccc1C(C)(C)C ZINC000540779605 327899728 /nfs/dbraw/zinc/89/97/28/327899728.db2.gz ZUHXCTFLFVYBQM-ZDUSSCGKSA-N 0 3 274.408 2.937 20 30 CFEDHN CC[C@H](C)[C@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000064808274 328039833 /nfs/dbraw/zinc/03/98/33/328039833.db2.gz YNENPJHMNGGZQV-ZQIUZPCESA-N 0 3 293.455 2.940 20 30 CFEDHN C[C@@H](NCC1=CCCOC1)c1ccc(OCC#N)cc1 ZINC000269305864 328082249 /nfs/dbraw/zinc/08/22/49/328082249.db2.gz UDVNJAYULBSEKO-CYBMUJFWSA-N 0 3 272.348 2.586 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000411767899 328099422 /nfs/dbraw/zinc/09/94/22/328099422.db2.gz GPINFFMEERSSQZ-UHFFFAOYSA-N 0 3 264.756 2.624 20 30 CFEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000412061319 328101423 /nfs/dbraw/zinc/10/14/23/328101423.db2.gz HHAHFSCRQNVICW-QGZVFWFLSA-N 0 3 286.375 2.528 20 30 CFEDHN C[C@@H]1[C@H](CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000412083413 328103289 /nfs/dbraw/zinc/10/32/89/328103289.db2.gz NAYQAICAEZCHDB-HIFRSBDPSA-N 0 3 277.795 2.784 20 30 CFEDHN CCC[C@H](NC(C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000412395616 328109823 /nfs/dbraw/zinc/10/98/23/328109823.db2.gz ADORXRQPVCAQOG-HNNXBMFYSA-N 0 3 273.380 2.858 20 30 CFEDHN N#CCCSC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000413015456 328140428 /nfs/dbraw/zinc/14/04/28/328140428.db2.gz SQNFHYFYFHTUJY-MRXNPFEDSA-N 0 3 290.432 2.924 20 30 CFEDHN C[C@@H](NCCCC#N)c1ccc(N2CCOCC2)c(F)c1 ZINC000273182258 328204295 /nfs/dbraw/zinc/20/42/95/328204295.db2.gz FJBWKFLLGXQMMA-CYBMUJFWSA-N 0 3 291.370 2.617 20 30 CFEDHN CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)CCC#N ZINC000276361188 328218135 /nfs/dbraw/zinc/21/81/35/328218135.db2.gz YTQHYWORHGUSCW-LBPRGKRZSA-N 0 3 260.337 2.929 20 30 CFEDHN CN(CCN(CCC#N)CC1CC1)Cc1ccccc1 ZINC000278688577 328229497 /nfs/dbraw/zinc/22/94/97/328229497.db2.gz SDABYFIUNQXYAJ-UHFFFAOYSA-N 0 3 271.408 2.744 20 30 CFEDHN CO[C@H]1CCN(Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000281630722 328240624 /nfs/dbraw/zinc/24/06/24/328240624.db2.gz IFUUIBPEALJTNI-BBRMVZONSA-N 0 3 274.364 2.588 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000284702227 328246634 /nfs/dbraw/zinc/24/66/34/328246634.db2.gz SQZZPJLOEVKVGD-SYAUCNOPSA-N 0 3 271.364 2.584 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000284702211 328246645 /nfs/dbraw/zinc/24/66/45/328246645.db2.gz SQZZPJLOEVKVGD-DMRZNYOFSA-N 0 3 271.364 2.584 20 30 CFEDHN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C#N)C1 ZINC000293603871 328277126 /nfs/dbraw/zinc/27/71/26/328277126.db2.gz PESZQHJNVHIUAZ-GXTWGEPZSA-N 0 3 273.336 2.761 20 30 CFEDHN Cc1cccnc1[C@@H](NCCOCCC#N)C(C)C ZINC000293758729 328277684 /nfs/dbraw/zinc/27/76/84/328277684.db2.gz JRFFCTWHYNVYEJ-AWEZNQCLSA-N 0 3 261.369 2.607 20 30 CFEDHN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296201115 328289459 /nfs/dbraw/zinc/28/94/59/328289459.db2.gz ZDTIFWRCFMPMFG-LOWVWBTDSA-N 0 3 259.309 2.938 20 30 CFEDHN C=CCN(C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000121133774 328365046 /nfs/dbraw/zinc/36/50/46/328365046.db2.gz ONBMYAZTXZXKAX-LBPRGKRZSA-N 0 3 289.297 2.563 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cc2cc(OC)ccc2o1 ZINC000341259800 328405567 /nfs/dbraw/zinc/40/55/67/328405567.db2.gz BJIXOTDGHNTFPQ-GFCCVEGCSA-N 0 3 275.348 2.716 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000341385213 328407843 /nfs/dbraw/zinc/40/78/43/328407843.db2.gz SNKLQKCRPFBGOS-DZGCQCFKSA-N 0 3 281.444 2.713 20 30 CFEDHN C[C@@H]1CCCCN1CCNCc1cc(C#N)cs1 ZINC000177685463 323700494 /nfs/dbraw/zinc/70/04/94/323700494.db2.gz FJXOFOZMCUVFMI-GFCCVEGCSA-N 0 3 263.410 2.584 20 30 CFEDHN CCN1CCCC[C@@H]1CNCc1cc(C#N)cs1 ZINC000177699077 323701847 /nfs/dbraw/zinc/70/18/47/323701847.db2.gz MZQVDHFLEDWKTE-CYBMUJFWSA-N 0 3 263.410 2.584 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580075483 325004739 /nfs/dbraw/zinc/00/47/39/325004739.db2.gz BMUYDHWZQDDBPG-CHWSQXEVSA-N 0 3 283.379 2.611 20 30 CFEDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(C#N)cn3)cccc21 ZINC000580390417 325030420 /nfs/dbraw/zinc/03/04/20/325030420.db2.gz XEOXPTQSCALJIS-OAHLLOKOSA-N 0 3 294.358 2.504 20 30 CFEDHN CCN(Cc1ccc(C#N)cn1)[C@H]1CCOC(C)(C)C1 ZINC000583701682 325305190 /nfs/dbraw/zinc/30/51/90/325305190.db2.gz XEKSKNIQMDSAGF-HNNXBMFYSA-N 0 3 273.380 2.733 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC(C)(C)CC1 ZINC000127048974 327148905 /nfs/dbraw/zinc/14/89/05/327148905.db2.gz FIPURRMYSPKCEX-PBHICJAKSA-N 0 3 293.455 2.941 20 30 CFEDHN C[C@@H]1CCN(C(=O)[C@H](N)CCCC#N)CC12CCCCC2 ZINC000518515560 327171055 /nfs/dbraw/zinc/17/10/55/327171055.db2.gz DFWKNNBOUYMJOV-HUUCEWRRSA-N 0 3 291.439 2.826 20 30 CFEDHN Cc1cc([C@H](C)NCCOCCC#N)c(C)s1 ZINC000293879126 327173927 /nfs/dbraw/zinc/17/39/27/327173927.db2.gz TYDKLEDHNFPBQM-NSHDSACASA-N 0 3 252.383 2.946 20 30 CFEDHN COC(=O)c1cc(CNCC(C)(C)CCC#N)oc1C ZINC000584259386 327202987 /nfs/dbraw/zinc/20/29/87/327202987.db2.gz KYFXHHFSGYQXBV-UHFFFAOYSA-N 0 3 278.352 2.794 20 30 CFEDHN N#CCCC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000569606987 327209606 /nfs/dbraw/zinc/20/96/06/327209606.db2.gz NVPXNDDBHRRTBN-UHFFFAOYSA-N 0 3 295.390 2.987 20 30 CFEDHN C#CCN1CCC(C(=O)NCC[C@H]2CCC[C@H](C)C2)CC1 ZINC000115278953 327231717 /nfs/dbraw/zinc/23/17/17/327231717.db2.gz KYZXRZRNXWPHTA-JKSUJKDBSA-N 0 3 290.451 2.664 20 30 CFEDHN C[C@H](C(=O)NCc1ccc(CC#N)cc1)N1CCCCCC1 ZINC000565005973 327363867 /nfs/dbraw/zinc/36/38/67/327363867.db2.gz AIOITDWGSGMEHZ-OAHLLOKOSA-N 0 3 299.418 2.633 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNc1cc(OC)ncn1)C(C)C ZINC000427508432 327387543 /nfs/dbraw/zinc/38/75/43/327387543.db2.gz BBORBJBOPXTDAE-AWEZNQCLSA-N 0 3 290.411 2.596 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000565028217 327399369 /nfs/dbraw/zinc/39/93/69/327399369.db2.gz GGHOFMBNSZKHNE-JHJVBQTASA-N 0 3 296.374 2.865 20 30 CFEDHN CC#CCN[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000561749182 327416719 /nfs/dbraw/zinc/41/67/19/327416719.db2.gz SZKNICAGKPBQIT-HZPDHXFCSA-N 0 3 257.377 2.983 20 30 CFEDHN COc1ccc(CN(C)C)cc1N[C@H]1CC[C@@H](C#N)C1 ZINC000519804378 328696723 /nfs/dbraw/zinc/69/67/23/328696723.db2.gz CQCWKKLZZDXKRP-OCCSQVGLSA-N 0 3 273.380 2.861 20 30 CFEDHN N=C(N)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000030008889 328761414 /nfs/dbraw/zinc/76/14/14/328761414.db2.gz BMFZFULHJCYKET-UHFFFAOYSA-N 0 3 276.409 2.516 20 30 CFEDHN C=CCN1CC[C@@H](N(C)c2ccnc3ccc(C)cc32)C1=O ZINC000358691587 328892687 /nfs/dbraw/zinc/89/26/87/328892687.db2.gz XSMGZIGLXBNXCL-QGZVFWFLSA-N 0 3 295.386 2.766 20 30 CFEDHN Cc1ccsc1[C@H](CO)N[C@H]1CCC[C@@H](C#N)C1 ZINC000361425633 328925432 /nfs/dbraw/zinc/92/54/32/328925432.db2.gz HSDRFHSBBXNOCK-AGIUHOORSA-N 0 3 264.394 2.762 20 30 CFEDHN C=CCCCN1CCN(Cc2cccs2)CC1 ZINC000117871228 328943929 /nfs/dbraw/zinc/94/39/29/328943929.db2.gz VULOLOGLLQMBNE-UHFFFAOYSA-N 0 3 250.411 2.832 20 30 CFEDHN CC#CCN[C@@H](c1ccc(OC)cc1)C1CCOCC1 ZINC000374977689 328998889 /nfs/dbraw/zinc/99/88/89/328998889.db2.gz IRQNHNZMJGQATE-KRWDZBQOSA-N 0 3 273.376 2.776 20 30 CFEDHN C=C(C)CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000377507318 329017038 /nfs/dbraw/zinc/01/70/38/329017038.db2.gz YGMRLJXSZWYBCR-INIZCTEOSA-N 0 3 263.356 2.629 20 30 CFEDHN C=CCN(C(=O)C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000377573570 329019307 /nfs/dbraw/zinc/01/93/07/329019307.db2.gz OZEMYAWYRIYGNQ-KRWDZBQOSA-N 0 3 284.403 2.686 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCCC[C@H]32)CC1 ZINC000378058616 329038396 /nfs/dbraw/zinc/03/83/96/329038396.db2.gz OUHHZTMOQMXOHC-GDBMZVCRSA-N 0 3 291.439 2.611 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccnc3ccccc32)CC1 ZINC000171723851 329079275 /nfs/dbraw/zinc/07/92/75/329079275.db2.gz CQEOOLJMYIZOBT-UHFFFAOYSA-N 0 3 295.386 2.615 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)Cc2ccccc2)CC1 ZINC000171822424 329080291 /nfs/dbraw/zinc/08/02/91/329080291.db2.gz HIAIXGXXFFLHFY-HNNXBMFYSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H](C)C2CCCC2)CC1 ZINC000172227289 329084095 /nfs/dbraw/zinc/08/40/95/329084095.db2.gz XLHRPXSYNIZADP-CYBMUJFWSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCN(CC=C)[C@H](CNCc1cnc(C)n1C)C(C)C ZINC000584362287 329103116 /nfs/dbraw/zinc/10/31/16/329103116.db2.gz TVFDLWUMLKKVCU-QGZVFWFLSA-N 0 3 290.455 2.517 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCC(C(C)C)CC1 ZINC000173860556 329152432 /nfs/dbraw/zinc/15/24/32/329152432.db2.gz AMQMCOVWGXNQGV-UHFFFAOYSA-N 0 3 264.413 2.555 20 30 CFEDHN CC(C)(C#N)CCCN1CCN(c2ccc(O)cc2)CC1 ZINC000174807633 329161565 /nfs/dbraw/zinc/16/15/65/329161565.db2.gz DXBIUZMDJVBELW-UHFFFAOYSA-N 0 3 287.407 2.844 20 30 CFEDHN CCc1cccc(OC[C@H](O)CNCC(C)(C)CC#N)c1 ZINC000514668284 329173057 /nfs/dbraw/zinc/17/30/57/329173057.db2.gz CXZAJBBDOFORHJ-OAHLLOKOSA-N 0 3 290.407 2.518 20 30 CFEDHN C=CCc1cc(CNCC2(OC)CCC2)cc(OC)c1O ZINC000181082956 329225717 /nfs/dbraw/zinc/22/57/17/329225717.db2.gz CLJPFZJLJYPQHC-UHFFFAOYSA-N 0 3 291.391 2.788 20 30 CFEDHN C=CC[C@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000184272856 329258499 /nfs/dbraw/zinc/25/84/99/329258499.db2.gz JYVSVYWWXAFQFY-GFCCVEGCSA-N 0 3 266.410 2.827 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(OC)c(OCC)c1 ZINC000321106692 329260471 /nfs/dbraw/zinc/26/04/71/329260471.db2.gz NMKQTJSGMMKMHN-CQSZACIVSA-N 0 3 279.380 2.511 20 30 CFEDHN C=CCCOCCN[C@@H](CC)c1ccc(F)cn1 ZINC000226652981 329262276 /nfs/dbraw/zinc/26/22/76/329262276.db2.gz IGJVJYAMTUULJE-ZDUSSCGKSA-N 0 3 252.333 2.854 20 30 CFEDHN C=CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508874786 332851822 /nfs/dbraw/zinc/85/18/22/332851822.db2.gz BGKSRXAWBIDKDR-ZBFHGGJFSA-N 0 3 289.423 2.814 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCC2(CC2)C1 ZINC000186980430 329352426 /nfs/dbraw/zinc/35/24/26/329352426.db2.gz KIEOHHIAYRDAFA-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C#C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000187729972 329362995 /nfs/dbraw/zinc/36/29/95/329362995.db2.gz JHXRVVZIRHYENL-GJZGRUSLSA-N 0 3 299.418 2.533 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@@H](N)c1ccccc1CC ZINC000418660757 329538583 /nfs/dbraw/zinc/53/85/83/329538583.db2.gz ZHDFEAPBGWNTED-MRXNPFEDSA-N 0 3 289.423 2.856 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000509611531 332875321 /nfs/dbraw/zinc/87/53/21/332875321.db2.gz QZCIPGRCAFMBRI-UONOGXRCSA-N 0 3 293.411 2.926 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C2CC2)cc1 ZINC000419358030 329719909 /nfs/dbraw/zinc/71/99/09/329719909.db2.gz PTRAMGUPPYXSJD-QWHCGFSZSA-N 0 3 272.392 2.905 20 30 CFEDHN CC[C@H]1CN(CCCSCC#N)C[C@H](CC)O1 ZINC000420955376 329790884 /nfs/dbraw/zinc/79/08/84/329790884.db2.gz LJVSYUTXTFSRMI-STQMWFEESA-N 0 3 256.415 2.523 20 30 CFEDHN C=CCNC(=O)CN[C@H](Cc1ccccc1)c1ccccc1 ZINC000302757141 332883762 /nfs/dbraw/zinc/88/37/62/332883762.db2.gz MBOITRZEKCKAQP-GOSISDBHSA-N 0 3 294.398 2.862 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000421766706 330077124 /nfs/dbraw/zinc/07/71/24/330077124.db2.gz GZNYXTQHYFLLES-RBSFLKMASA-N 0 3 276.424 2.579 20 30 CFEDHN C[C@@H](NC(=O)[C@H](N)CCCC#N)c1cc2ccccc2o1 ZINC000424058807 330218596 /nfs/dbraw/zinc/21/85/96/330218596.db2.gz ANYKWDPBQHKDSQ-DGCLKSJQSA-N 0 3 285.347 2.631 20 30 CFEDHN CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424068734 330219776 /nfs/dbraw/zinc/21/97/76/330219776.db2.gz STLGPOSCNSCATP-HOCLYGCPSA-N 0 3 287.407 2.835 20 30 CFEDHN Cc1ccc2nc(NC(=O)[C@@H](N)CCCC#N)sc2c1 ZINC000424074168 330220481 /nfs/dbraw/zinc/22/04/81/330220481.db2.gz GPTQFTLWINSCKF-JTQLQIEISA-N 0 3 288.376 2.564 20 30 CFEDHN N#CCCC[C@H](N)C(=O)Nc1cccc2c1CCCC2 ZINC000424075970 330220851 /nfs/dbraw/zinc/22/08/51/330220851.db2.gz KQRLETRBNUHNQR-AWEZNQCLSA-N 0 3 271.364 2.525 20 30 CFEDHN CCN(C(=O)[C@H](N)CCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000424086500 330223522 /nfs/dbraw/zinc/22/35/22/330223522.db2.gz CCWJCHBRQKRMNY-IUODEOHRSA-N 0 3 291.370 2.756 20 30 CFEDHN Cc1ncc(-c2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)o1 ZINC000424088127 330224121 /nfs/dbraw/zinc/22/41/21/330224121.db2.gz SOBDMBDZNUUXBE-AWEZNQCLSA-N 0 3 298.346 2.610 20 30 CFEDHN CN(Cc1cccc2ccccc21)C(=O)[C@H](N)CCCC#N ZINC000424090189 330224557 /nfs/dbraw/zinc/22/45/57/330224557.db2.gz XDXJASBSTUNKPF-QGZVFWFLSA-N 0 3 295.386 2.819 20 30 CFEDHN C[C@H]1CCN(C(=O)[C@@H](N)CCCC#N)c2ccccc21 ZINC000424094476 330226667 /nfs/dbraw/zinc/22/66/67/330226667.db2.gz LSEOVKWQPYMBAV-JSGCOSHPSA-N 0 3 271.364 2.548 20 30 CFEDHN CCN(Cc1ccccc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424096503 330227448 /nfs/dbraw/zinc/22/74/48/330227448.db2.gz YCOLSKWLKDZSBP-AWEZNQCLSA-N 0 3 293.798 2.710 20 30 CFEDHN Cc1cc([C@@H](C)NC(=O)[C@H](N)CCCC#N)c(C)s1 ZINC000424097312 330227740 /nfs/dbraw/zinc/22/77/40/330227740.db2.gz JNNCHEASFNSYKS-ZWNOBZJWSA-N 0 3 279.409 2.563 20 30 CFEDHN CCCCC1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000424098353 330229545 /nfs/dbraw/zinc/22/95/45/330229545.db2.gz CPYGUTYIAVUSLS-YMAMQOFZSA-N 0 3 279.428 2.873 20 30 CFEDHN CCCCOc1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424100408 330233211 /nfs/dbraw/zinc/23/32/11/330233211.db2.gz KVHYAQICHRGCAV-OAHLLOKOSA-N 0 3 289.379 2.825 20 30 CFEDHN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H](N)CCCC#N ZINC000424104259 330233805 /nfs/dbraw/zinc/23/38/05/330233805.db2.gz UEMYABLVPFTOIC-RISCZKNCSA-N 0 3 293.798 2.881 20 30 CFEDHN C[C@@H]1CCN(CCNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000527248838 330241317 /nfs/dbraw/zinc/24/13/17/330241317.db2.gz WXCTZTZONJNMAQ-WBVHZDCISA-N 0 3 299.418 2.532 20 30 CFEDHN C[C@H]1CCN(CCNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000527248837 330241366 /nfs/dbraw/zinc/24/13/66/330241366.db2.gz WXCTZTZONJNMAQ-RDJZCZTQSA-N 0 3 299.418 2.532 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(Cl)s1 ZINC000424120139 330247950 /nfs/dbraw/zinc/24/79/50/330247950.db2.gz DNHUGJCNIJHOJO-ZJUUUORDSA-N 0 3 299.827 2.990 20 30 CFEDHN CCOc1cc(Cl)ccc1NC(=O)[C@@H](N)CCCC#N ZINC000424129436 330260032 /nfs/dbraw/zinc/26/00/32/330260032.db2.gz SXTUDDYGFLIZMZ-NSHDSACASA-N 0 3 295.770 2.698 20 30 CFEDHN CCSCc1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424130049 330260670 /nfs/dbraw/zinc/26/06/70/330260670.db2.gz SQLXPKDSIHCEHX-AWEZNQCLSA-N 0 3 291.420 2.899 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cc(F)ccc1F ZINC000424135716 330270595 /nfs/dbraw/zinc/27/05/95/330270595.db2.gz ZSECREZUWAQAHJ-KBPBESRZSA-N 0 3 295.333 2.553 20 30 CFEDHN CC(C)CCC1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424139502 330278972 /nfs/dbraw/zinc/27/89/72/330278972.db2.gz RFQRRUUBLZYKSJ-OAHLLOKOSA-N 0 3 279.428 2.682 20 30 CFEDHN COc1ccc([C@H](N[C@H]2CC[C@@H](C#N)C2)C2CC2)cn1 ZINC000528041907 330305755 /nfs/dbraw/zinc/30/57/55/330305755.db2.gz AVLUFBHFXARGFP-DIOULYMOSA-N 0 3 271.364 2.823 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000424170963 330311131 /nfs/dbraw/zinc/31/11/31/330311131.db2.gz LQUHYOMUWDDQMA-ULQDDVLXSA-N 0 3 299.418 2.535 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000424176488 330316570 /nfs/dbraw/zinc/31/65/70/330316570.db2.gz ROEXSMNIUJETDB-WFASDCNBSA-N 0 3 293.794 2.956 20 30 CFEDHN N#CCC1(CNCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424187410 330321004 /nfs/dbraw/zinc/32/10/04/330321004.db2.gz IRBBWVWNDLQPSJ-UHFFFAOYSA-N 0 3 280.274 2.792 20 30 CFEDHN C=CCn1cc(CN[C@H](CC)C[C@@H](C)CC)nn1 ZINC000424294934 330335887 /nfs/dbraw/zinc/33/58/87/330335887.db2.gz LWINTVPZPMYNMP-QWHCGFSZSA-N 0 3 250.390 2.769 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@@H]2CCCC)nn1 ZINC000424299148 330336764 /nfs/dbraw/zinc/33/67/64/330336764.db2.gz UZRMODLMXNGVGW-ZFWWWQNUSA-N 0 3 262.401 2.913 20 30 CFEDHN COc1ccc2c(c1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424334544 330343088 /nfs/dbraw/zinc/34/30/88/330343088.db2.gz VTQOSBURYKYDOS-NORZTCDRSA-N 0 3 256.349 2.964 20 30 CFEDHN C=CCCCCNC(=O)Nc1cc(C)cc(CN)c1 ZINC000424427007 330351544 /nfs/dbraw/zinc/35/15/44/330351544.db2.gz NRJBHMYUTGXWRF-UHFFFAOYSA-N 0 3 261.369 2.932 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000537101876 330399471 /nfs/dbraw/zinc/39/94/71/330399471.db2.gz FDFYDFMBVPETFU-VBQJREDUSA-N 0 3 287.407 2.780 20 30 CFEDHN CC(C)c1nnc(CCN[C@@H]2CCC[C@H](C#N)C2)s1 ZINC000426327864 330504357 /nfs/dbraw/zinc/50/43/57/330504357.db2.gz AXDOZFIFAWIHLL-NWDGAFQWSA-N 0 3 278.425 2.876 20 30 CFEDHN C[C@@H](CC(=O)Nc1ccccc1)NCC1(CC#N)CC1 ZINC000430068783 330558524 /nfs/dbraw/zinc/55/85/24/330558524.db2.gz WVGHNZMTFMNXEY-ZDUSSCGKSA-N 0 3 271.364 2.687 20 30 CFEDHN COc1cccc2c1CC[C@H]2NCC1(CC#N)CC1 ZINC000430744695 330572436 /nfs/dbraw/zinc/57/24/36/330572436.db2.gz VLEYKBXQTJZJPB-CQSZACIVSA-N 0 3 256.349 2.966 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(CC)s1 ZINC000435732150 330661133 /nfs/dbraw/zinc/66/11/33/330661133.db2.gz NTCBNRWZWKFENR-BXUZGUMPSA-N 0 3 266.410 2.776 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(C(F)F)cn2)CC1 ZINC000450317137 330710341 /nfs/dbraw/zinc/71/03/41/330710341.db2.gz JJCIREFIYRWIQI-UHFFFAOYSA-N 0 3 282.338 2.867 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(N3CCCCC3)nc2)C1 ZINC000442710277 330780188 /nfs/dbraw/zinc/78/01/88/330780188.db2.gz CDOSSJXSUJXBHE-ZBFHGGJFSA-N 0 3 284.407 2.854 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCCc2nc(C(F)(F)F)cs2)C1 ZINC000442775026 330782148 /nfs/dbraw/zinc/78/21/48/330782148.db2.gz DZTOQJARZRPDBA-DTWKUNHWSA-N 0 3 289.326 2.986 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(OCC3CC3)nc2)C1 ZINC000442783222 330782768 /nfs/dbraw/zinc/78/27/68/330782768.db2.gz PQVRLQQVNIEWLZ-DZGCQCFKSA-N 0 3 271.364 2.652 20 30 CFEDHN N#C[C@@H]1CC[C@@H](N[C@H]2CCOc3c(F)cccc32)C1 ZINC000442867391 330788698 /nfs/dbraw/zinc/78/86/98/330788698.db2.gz LFMJIDGBGISTHY-GYSYKLTISA-N 0 3 260.312 2.931 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OCC)c(F)c1 ZINC000449524184 330933857 /nfs/dbraw/zinc/93/38/57/330933857.db2.gz ZJXYTYUYTKEGBA-KGLIPLIRSA-N 0 3 265.328 2.658 20 30 CFEDHN C=CCC[C@@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000449697114 330944333 /nfs/dbraw/zinc/94/43/33/330944333.db2.gz KCZSBYFZTLSCAZ-NSHDSACASA-N 0 3 278.377 2.820 20 30 CFEDHN COc1cccnc1CNC1CCC(C)(C#N)CC1 ZINC000449750319 330947841 /nfs/dbraw/zinc/94/78/41/330947841.db2.gz UDLWXNNFGHYGPG-UHFFFAOYSA-N 0 3 259.353 2.652 20 30 CFEDHN C=CCC1(C(=O)N(C)CC2CCN(C)CC2)CCCC1 ZINC000449841900 330951772 /nfs/dbraw/zinc/95/17/72/330951772.db2.gz LMPGXFVQZMLXRI-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)cc1CN(C)C ZINC000449861739 330952535 /nfs/dbraw/zinc/95/25/35/330952535.db2.gz SAFKBXUJKJKCJJ-ZBFHGGJFSA-N 0 3 288.391 2.586 20 30 CFEDHN COC(=O)C[C@@H](NCC1(C#N)CCC1)C1CCCCC1 ZINC000450725274 330996137 /nfs/dbraw/zinc/99/61/37/330996137.db2.gz IHXIOEHHEDYUIA-CQSZACIVSA-N 0 3 278.396 2.782 20 30 CFEDHN C=CCN1CC[C@@H](N2Cc3cccc(C)c3CC2(C)C)C1=O ZINC000451261804 331022456 /nfs/dbraw/zinc/02/24/56/331022456.db2.gz MXEFHWAFQWVOJK-QGZVFWFLSA-N 0 3 298.430 2.919 20 30 CFEDHN C=CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451302980 331023844 /nfs/dbraw/zinc/02/38/44/331023844.db2.gz FVLZSVIXNLTRRF-GFCCVEGCSA-N 0 3 259.271 2.905 20 30 CFEDHN C=CCC[C@H](O)CN1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451401933 331027694 /nfs/dbraw/zinc/02/76/94/331027694.db2.gz AJGRHTGCIPRQJA-SRVKXCTJSA-N 0 3 265.319 2.976 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000451476804 331030974 /nfs/dbraw/zinc/03/09/74/331030974.db2.gz GPKVJNBVNAGLSI-GVDBMIGSSA-N 0 3 269.388 2.831 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000451577018 331035116 /nfs/dbraw/zinc/03/51/16/331035116.db2.gz YOHLACXEMROSRX-MPTYRVRUSA-N 0 3 291.439 2.551 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000451604303 331036126 /nfs/dbraw/zinc/03/61/26/331036126.db2.gz GRJWJBAYDBNFFI-CABCVRRESA-N 0 3 261.752 2.625 20 30 CFEDHN C=C(CC)CN(CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451702563 331039796 /nfs/dbraw/zinc/03/97/96/331039796.db2.gz AGAKEOXAJBMTNM-OAHLLOKOSA-N 0 3 288.391 2.654 20 30 CFEDHN CO[C@@H]1C[C@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000451852607 331044776 /nfs/dbraw/zinc/04/47/76/331044776.db2.gz NWKJGNGDWKFNDU-QWHCGFSZSA-N 0 3 250.386 2.816 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCC[C@H]1OCC ZINC000452032284 331051232 /nfs/dbraw/zinc/05/12/32/331051232.db2.gz CGOFTWNJJDGNHI-ARFHVFGLSA-N 0 3 296.455 2.737 20 30 CFEDHN N#CCCCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000452062911 331052546 /nfs/dbraw/zinc/05/25/46/331052546.db2.gz UXBGUVZOGUHSRQ-ZDUSSCGKSA-N 0 3 264.394 2.845 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](CC(C)(C)C)C1 ZINC000452067919 331052800 /nfs/dbraw/zinc/05/28/00/331052800.db2.gz AYRPESACCKMLLF-PBHICJAKSA-N 0 3 293.455 2.799 20 30 CFEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](CC(C)(C)C)C1 ZINC000452077348 331053186 /nfs/dbraw/zinc/05/31/86/331053186.db2.gz KEYFUFDXHNKXBT-UONOGXRCSA-N 0 3 291.439 2.695 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](COC)CC1 ZINC000452087903 331053586 /nfs/dbraw/zinc/05/35/86/331053586.db2.gz PSWXLAACBPAMTP-HZPDHXFCSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000452119432 331055006 /nfs/dbraw/zinc/05/50/06/331055006.db2.gz IAFKCYHBKUYJAF-ZBFHGGJFSA-N 0 3 286.419 2.978 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC(C(C)C)C(C)C)CC1 ZINC000194841308 331063552 /nfs/dbraw/zinc/06/35/52/331063552.db2.gz HOWHEFYCSGLIPU-UHFFFAOYSA-N 0 3 295.471 2.864 20 30 CFEDHN CCC[C@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000452705819 331072607 /nfs/dbraw/zinc/07/26/07/331072607.db2.gz BCVFWXSFNPXYMZ-HZPDHXFCSA-N 0 3 288.391 2.690 20 30 CFEDHN CCC[C@H](CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000452705820 331072617 /nfs/dbraw/zinc/07/26/17/331072617.db2.gz BCVFWXSFNPXYMZ-JKSUJKDBSA-N 0 3 288.391 2.690 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@]1(CCC)COC ZINC000194934406 331079857 /nfs/dbraw/zinc/07/98/57/331079857.db2.gz YUDRGMUUKFBPGU-QGZVFWFLSA-N 0 3 296.455 2.692 20 30 CFEDHN C=CCCCC[C@@H](C)NCc1nnc2n1CCCC2 ZINC000453190191 331099256 /nfs/dbraw/zinc/09/92/56/331099256.db2.gz CITDKDZPEUJCBJ-CYBMUJFWSA-N 0 3 262.401 2.839 20 30 CFEDHN C=CCC[C@H](NC[C@@H]1CCCCN1CCO)c1ccco1 ZINC000453253256 331108011 /nfs/dbraw/zinc/10/80/11/331108011.db2.gz CUALMSYRMLCZDD-HOTGVXAUSA-N 0 3 292.423 2.723 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cnn(C(C)C)c1C ZINC000453338595 331118714 /nfs/dbraw/zinc/11/87/14/331118714.db2.gz BBMWJBPDXUYOTK-DFBGVHRSSA-N 0 3 263.385 2.767 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](COC)c1ccc(Cl)cc1 ZINC000453349735 331120591 /nfs/dbraw/zinc/12/05/91/331120591.db2.gz ILEHWNONZNGLOO-ILXRZTDVSA-N 0 3 281.783 2.961 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000453365303 331123099 /nfs/dbraw/zinc/12/30/99/331123099.db2.gz RLCYUCGNPKDKFJ-JQWIXIFHSA-N 0 3 283.393 2.512 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(OC)c(O)c1 ZINC000453367641 331123705 /nfs/dbraw/zinc/12/37/05/331123705.db2.gz UKJFCBUVOKMWFT-LNSITVRQSA-N 0 3 277.364 2.785 20 30 CFEDHN C=CCC[C@@H](N[C@H]1CC[C@@H](C(N)=O)C1)c1ccco1 ZINC000453372460 331124199 /nfs/dbraw/zinc/12/41/99/331124199.db2.gz RWZHOAHRVGETTF-FRRDWIJNSA-N 0 3 262.353 2.531 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000454257682 331143075 /nfs/dbraw/zinc/14/30/75/331143075.db2.gz LMKACUMFMJFBIU-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000454534404 331148235 /nfs/dbraw/zinc/14/82/35/331148235.db2.gz UMBMAMOPFODSGY-CABCVRRESA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000454549826 331148583 /nfs/dbraw/zinc/14/85/83/331148583.db2.gz QNSOAIZZZFTMLL-WBVHZDCISA-N 0 3 293.455 2.761 20 30 CFEDHN C=CCN1CCC(NC(=O)NCC2CCCCCC2)CC1 ZINC000454549970 331148655 /nfs/dbraw/zinc/14/86/55/331148655.db2.gz QXYCZJQMCGWNCZ-UHFFFAOYSA-N 0 3 293.455 2.906 20 30 CFEDHN C=C(C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000455317338 331165833 /nfs/dbraw/zinc/16/58/33/331165833.db2.gz XCMSWFIZMFLBNO-HNNXBMFYSA-N 0 3 275.396 2.555 20 30 CFEDHN CC[C@](C)(CNC(=O)C(C#N)CCc1ccccc1)OC ZINC000456117816 331184719 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/nfs/dbraw/zinc/24/75/17/331247517.db2.gz WXQFFNFXXVQBBP-UHFFFAOYSA-N 0 3 259.353 2.545 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458811576 331260911 /nfs/dbraw/zinc/26/09/11/331260911.db2.gz PBJRVZIWVMFWLU-CQSZACIVSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CC[C@H]1N(C(=O)NC[C@H](C)N(C)C)CCCC1(C)C ZINC000459049159 331268342 /nfs/dbraw/zinc/26/83/42/331268342.db2.gz YTYBHUWBUWDIAN-UONOGXRCSA-N 0 3 281.444 2.713 20 30 CFEDHN N#C[C@@H]1CCC[C@@H]1NCCCCC1CCOCC1 ZINC000459458933 331282531 /nfs/dbraw/zinc/28/25/31/331282531.db2.gz HNTCPUNFTUMDPR-GJZGRUSLSA-N 0 3 250.386 2.865 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000459464353 331283047 /nfs/dbraw/zinc/28/30/47/331283047.db2.gz OMNPSOXIPMBCTP-HUUCEWRRSA-N 0 3 271.408 2.667 20 30 CFEDHN C[C@@H](CCCc1cccnc1)NC[C@H](C#N)CCC#N ZINC000459640536 331291633 /nfs/dbraw/zinc/29/16/33/331291633.db2.gz LMWBWNVQGLWBNC-HOCLYGCPSA-N 0 3 270.380 2.826 20 30 CFEDHN COc1ccc(OC)c(CNCC(C)(C)CC#N)c1 ZINC000459661676 331292825 /nfs/dbraw/zinc/29/28/25/331292825.db2.gz BMCNGMKHVCCFKM-UHFFFAOYSA-N 0 3 262.353 2.733 20 30 CFEDHN CC(C)(CC#N)CNCc1cnn(-c2ccccc2)c1 ZINC000459685378 331294309 /nfs/dbraw/zinc/29/43/09/331294309.db2.gz FCLVGYYGGKSREC-UHFFFAOYSA-N 0 3 268.364 2.902 20 30 CFEDHN OCC1(NCC#Cc2ccc(Cl)cc2)CCSCC1 ZINC000459715040 331295460 /nfs/dbraw/zinc/29/54/60/331295460.db2.gz QFQUEKZNDPSQMN-UHFFFAOYSA-N 0 3 295.835 2.539 20 30 CFEDHN CC(C)(CC#N)CNCc1cc2ccccc2[nH]c1=O ZINC000459737199 331297037 /nfs/dbraw/zinc/29/70/37/331297037.db2.gz VYGDRALLOVBXHL-UHFFFAOYSA-N 0 3 269.348 2.970 20 30 CFEDHN CO[C@@H]1C[C@H](NCC#Cc2ccccc2)C12CCC2 ZINC000459756831 331298718 /nfs/dbraw/zinc/29/87/18/331298718.db2.gz KJMDEABIXHNDKK-JKSUJKDBSA-N 0 3 255.361 2.585 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000488473888 332012392 /nfs/dbraw/zinc/01/23/92/332012392.db2.gz AIYZLCJKFKHSQD-LSDHHAIUSA-N 0 3 289.423 2.524 20 30 CFEDHN C=CCn1cccc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000488500048 332013811 /nfs/dbraw/zinc/01/38/11/332013811.db2.gz OSNIRHNWABLGKR-LSDHHAIUSA-N 0 3 289.423 2.667 20 30 CFEDHN C=C[C@H]1CCCCN1CCCN1C(=O)c2ccccc2C1=O ZINC000489407692 332050637 /nfs/dbraw/zinc/05/06/37/332050637.db2.gz UKSRUYOCHADIAH-AWEZNQCLSA-N 0 3 298.386 2.713 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490090231 332081093 /nfs/dbraw/zinc/08/10/93/332081093.db2.gz LCHACDPWDQMPCC-ZOBUZTSGSA-N 0 3 286.419 2.864 20 30 CFEDHN C=CCCCCNC(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490205597 332084396 /nfs/dbraw/zinc/08/43/96/332084396.db2.gz XQVYAPCLQRFHAS-HRCADAONSA-N 0 3 293.455 2.714 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)CCCCCC)CC1 ZINC000490574267 332092708 /nfs/dbraw/zinc/09/27/08/332092708.db2.gz MPRCSHYDQVCFMW-OAHLLOKOSA-N 0 3 278.440 2.807 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](CC)c2ccc(C)cc2)CC1 ZINC000490605604 332095143 /nfs/dbraw/zinc/09/51/43/332095143.db2.gz RQCSPDLZBWMPON-GOSISDBHSA-N 0 3 298.430 2.908 20 30 CFEDHN C#CCN1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000490897458 332126698 /nfs/dbraw/zinc/12/66/98/332126698.db2.gz BTKMBGWEDLSSQQ-UHFFFAOYSA-N 0 3 280.412 2.589 20 30 CFEDHN C#CCN(CC)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000490900745 332127871 /nfs/dbraw/zinc/12/78/71/332127871.db2.gz XPDPLJTYKICURK-AWEZNQCLSA-N 0 3 280.412 2.589 20 30 CFEDHN C#C[C@H](NC(=O)[C@H](CC)N(C)C)c1ccc(Cl)cc1F ZINC000491096665 332149238 /nfs/dbraw/zinc/14/92/38/332149238.db2.gz VHEFGZKEBXWVTA-KBPBESRZSA-N 0 3 296.773 2.610 20 30 CFEDHN C#C[C@H](CCC)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000491145027 332156165 /nfs/dbraw/zinc/15/61/65/332156165.db2.gz JNMBSORTYCAEHR-CQSZACIVSA-N 0 3 273.380 2.672 20 30 CFEDHN C#CCN(CC)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000491309128 332187329 /nfs/dbraw/zinc/18/73/29/332187329.db2.gz XAYNZVVERLEKTL-KRWDZBQOSA-N 0 3 295.386 2.504 20 30 CFEDHN C#C[C@H](CC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000491387217 332202601 /nfs/dbraw/zinc/20/26/01/332202601.db2.gz XOLKNWSQZCOQFS-QGZVFWFLSA-N 0 3 284.403 2.814 20 30 CFEDHN C#C[C@@H](CC)NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000491387216 332202693 /nfs/dbraw/zinc/20/26/93/332202693.db2.gz XOLKNWSQZCOQFS-KRWDZBQOSA-N 0 3 284.403 2.814 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@H]2CC=CCC2)n1 ZINC000491438249 332210957 /nfs/dbraw/zinc/21/09/57/332210957.db2.gz AWBACIPOPZCUQJ-HNNXBMFYSA-N 0 3 257.381 2.695 20 30 CFEDHN C#CCn1ccc(CN(CC)C[C@H]2CCO[C@@H](CC)C2)n1 ZINC000491631809 332254451 /nfs/dbraw/zinc/25/44/51/332254451.db2.gz RROHWHHGBVWLOA-RDJZCZTQSA-N 0 3 289.423 2.543 20 30 CFEDHN C#C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000491660583 332270854 /nfs/dbraw/zinc/27/08/54/332270854.db2.gz MPODRZMNUUVGDS-XJKSGUPXSA-N 0 3 256.349 2.725 20 30 CFEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1c(F)cccc1F ZINC000491786767 332349436 /nfs/dbraw/zinc/34/94/36/332349436.db2.gz WMYKGDJHOUAFAK-LLVKDONJSA-N 0 3 275.302 2.856 20 30 CFEDHN C#C[C@@H](NCCC(=O)Nc1cc(F)cc(F)c1)C(C)C ZINC000491794901 332354406 /nfs/dbraw/zinc/35/44/06/332354406.db2.gz TUYOVCMVDHXUHZ-CQSZACIVSA-N 0 3 280.318 2.541 20 30 CFEDHN C#C[C@H](CC)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000491796382 332355038 /nfs/dbraw/zinc/35/50/38/332355038.db2.gz ZWTXNMDIPSSLIX-QGZVFWFLSA-N 0 3 284.403 2.814 20 30 CFEDHN C#C[C@H](CC)NCc1cc(Cl)c(O)c(OCC)c1 ZINC000491808044 332361138 /nfs/dbraw/zinc/36/11/38/332361138.db2.gz UFNZNDLWDVZPFC-LLVKDONJSA-N 0 3 267.756 2.946 20 30 CFEDHN C=C(C)COc1cccc(NC(=O)/C=C/CN(C)C)c1 ZINC000491875593 332373203 /nfs/dbraw/zinc/37/32/03/332373203.db2.gz ZCVIBRBIKQYUEU-RMKNXTFCSA-N 0 3 274.364 2.698 20 30 CFEDHN C[C@]1(CO)CCC[C@@H]1NCC#Cc1cccc(Cl)c1 ZINC000492846311 332415710 /nfs/dbraw/zinc/41/57/10/332415710.db2.gz ICQNMVZTTSOZIC-JKSUJKDBSA-N 0 3 277.795 2.832 20 30 CFEDHN C=CCCc1ccccc1NC(=O)/C=C\CN(C)C ZINC000493014316 332422941 /nfs/dbraw/zinc/42/29/41/332422941.db2.gz CVQLTCOJNRWKPW-WQLSENKSSA-N 0 3 258.365 2.862 20 30 CFEDHN C[C@@]1(CO)CCC[C@@H]1NCC#Cc1ccc(Cl)cc1 ZINC000493606056 332446762 /nfs/dbraw/zinc/44/67/62/332446762.db2.gz OLRSCIQNOSLTAS-HOTGVXAUSA-N 0 3 277.795 2.832 20 30 CFEDHN C=C1CCN(CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495313389 332514525 /nfs/dbraw/zinc/51/45/25/332514525.db2.gz VUSRKCXNSYVEHD-UHFFFAOYSA-N 0 3 268.401 2.942 20 30 CFEDHN CC[C@H](CC#N)NCC1(CNC(=O)OC(C)(C)C)CC1 ZINC000495847557 332531602 /nfs/dbraw/zinc/53/16/02/332531602.db2.gz GZFZMZUWMPLZIY-GFCCVEGCSA-N 0 3 281.400 2.573 20 30 CFEDHN CC(C)(C)OC(=O)NCCN1CCC(CCC#N)CC1 ZINC000496053708 332537287 /nfs/dbraw/zinc/53/72/87/332537287.db2.gz SUJFIONVTDZZIS-UHFFFAOYSA-N 0 3 281.400 2.527 20 30 CFEDHN CN(CCCN1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC000497056521 332568731 /nfs/dbraw/zinc/56/87/31/332568731.db2.gz KVOVZUITFXZHPC-UHFFFAOYSA-N 0 3 295.427 2.869 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC000176678090 333045757 /nfs/dbraw/zinc/04/57/57/333045757.db2.gz XOKDYZMESYQGJR-GDBMZVCRSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCN1CCC(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000179033659 333079363 /nfs/dbraw/zinc/07/93/63/333079363.db2.gz UKWFHAWTKQIESB-LSDHHAIUSA-N 0 3 293.455 2.714 20 30 CFEDHN C=C1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000516874666 333084813 /nfs/dbraw/zinc/08/48/13/333084813.db2.gz XKURDOOEWYYKOL-HNNXBMFYSA-N 0 3 272.392 2.891 20 30 CFEDHN CC#CCCCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000185245354 333137466 /nfs/dbraw/zinc/13/74/66/333137466.db2.gz AZSAFZNGWSMEQF-UHFFFAOYSA-N 0 3 278.440 2.760 20 30 CFEDHN C=CCNC(=O)CN1CCCC2(CCCCC2)CC1 ZINC000190324292 333205528 /nfs/dbraw/zinc/20/55/28/333205528.db2.gz SKTCHGMFNGVQMF-UHFFFAOYSA-N 0 3 264.413 2.725 20 30 CFEDHN C=C[C@](C)(CC)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000190557557 333208242 /nfs/dbraw/zinc/20/82/42/333208242.db2.gz FSHMQRKHWSFOJK-SQWLQELKSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCNC(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000193944916 333261419 /nfs/dbraw/zinc/26/14/19/333261419.db2.gz UOPCIDRPJJXUFO-INIZCTEOSA-N 0 3 272.392 2.906 20 30 CFEDHN CCC(CC)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000522473564 333287691 /nfs/dbraw/zinc/28/76/91/333287691.db2.gz ZHTFPJRGBRLLFB-INIZCTEOSA-N 0 3 279.428 2.694 20 30 CFEDHN CCC(CC)N(CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000522473565 333287703 /nfs/dbraw/zinc/28/77/03/333287703.db2.gz ZHTFPJRGBRLLFB-MRXNPFEDSA-N 0 3 279.428 2.694 20 30 CFEDHN CC(C#N)C(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC000522995923 333303904 /nfs/dbraw/zinc/30/39/04/333303904.db2.gz SJJIVRRQFKSBPF-GFCCVEGCSA-N 0 3 287.363 2.569 20 30 CFEDHN C=CC1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000523605357 333333751 /nfs/dbraw/zinc/33/37/51/333333751.db2.gz ZACAWHMISPJXNA-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N(CC)CCC#N ZINC000524811546 333389163 /nfs/dbraw/zinc/38/91/63/333389163.db2.gz NNVAXAUELRPPOH-GJZGRUSLSA-N 0 3 279.428 2.649 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000528757068 333455790 /nfs/dbraw/zinc/45/57/90/333455790.db2.gz BDZTVOFPDGILRP-IATRGZMQSA-N 0 3 261.340 2.579 20 30 CFEDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCOCCC#N ZINC000339118935 335141705 /nfs/dbraw/zinc/14/17/05/335141705.db2.gz NYQQUQXVTBLJMW-JTQLQIEISA-N 0 3 264.291 2.579 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000128910481 333726321 /nfs/dbraw/zinc/72/63/21/333726321.db2.gz HGPXEVJAUBUDPN-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C[C@H](CC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000129253096 333754210 /nfs/dbraw/zinc/75/42/10/333754210.db2.gz WENCGKHFWBQNKC-MRXNPFEDSA-N 0 3 286.419 2.901 20 30 CFEDHN COc1cccc(OCCN2CCC(CC#N)CC2)c1 ZINC000541025084 333759685 /nfs/dbraw/zinc/75/96/85/333759685.db2.gz XSHJXXGVHSRDPM-UHFFFAOYSA-N 0 3 274.364 2.700 20 30 CFEDHN N#CCC1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000541953007 333803940 /nfs/dbraw/zinc/80/39/40/333803940.db2.gz ZVSJVIJRVOZWCP-UHFFFAOYSA-N 0 3 289.354 2.780 20 30 CFEDHN N#CCCCCN[C@H](c1ccccc1)c1cncnc1 ZINC000542664040 333834976 /nfs/dbraw/zinc/83/49/76/333834976.db2.gz CPWXNVPCFAQNIQ-MRXNPFEDSA-N 0 3 266.348 2.849 20 30 CFEDHN N#CC1CCN(CCN2CCCc3ccccc32)CC1 ZINC000131593570 333953379 /nfs/dbraw/zinc/95/33/79/333953379.db2.gz LPPYLYTZUVDCKE-UHFFFAOYSA-N 0 3 269.392 2.675 20 30 CFEDHN C=CCCCCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000564289018 333977395 /nfs/dbraw/zinc/97/73/95/333977395.db2.gz GHTDWWLBGSTREH-HNNXBMFYSA-N 0 3 281.421 2.718 20 30 CFEDHN C#CCN1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000075008077 334023627 /nfs/dbraw/zinc/02/36/27/334023627.db2.gz MLFDZYNAYZFMFF-UHFFFAOYSA-N 0 3 280.412 2.589 20 30 CFEDHN C=C(C)COCCNCc1cnc(C2CC2)s1 ZINC000134504579 334092470 /nfs/dbraw/zinc/09/24/70/334092470.db2.gz LDWBBQQAESQLFT-UHFFFAOYSA-N 0 3 252.383 2.703 20 30 CFEDHN COC(=O)CN(CCCC(C)(C)C#N)C1CCCC1 ZINC000134124938 334081042 /nfs/dbraw/zinc/08/10/42/334081042.db2.gz QCBGPAKNOCCIKP-UHFFFAOYSA-N 0 3 266.385 2.734 20 30 CFEDHN C[C@@H](C#N)CN[C@@H](C)CCc1n[nH]c2ccccc21 ZINC000547362331 334083426 /nfs/dbraw/zinc/08/34/26/334083426.db2.gz WARUYFQSWSFSAL-RYUDHWBXSA-N 0 3 256.353 2.633 20 30 CFEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC1CC1 ZINC000077194719 334098123 /nfs/dbraw/zinc/09/81/23/334098123.db2.gz RTYVWRKRKXSXPT-UUCFBXCCSA-N 0 3 291.439 2.648 20 30 CFEDHN CC(C)(CCC#N)CNCc1cccc2c1OCO2 ZINC000135160414 334118506 /nfs/dbraw/zinc/11/85/06/334118506.db2.gz BABCMPOGSNSGRN-UHFFFAOYSA-N 0 3 260.337 2.835 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000078324844 334131065 /nfs/dbraw/zinc/13/10/65/334131065.db2.gz PXUNVFPUSVBTHM-OAHLLOKOSA-N 0 3 293.455 2.905 20 30 CFEDHN CC[C@@H](C(=O)Nc1ccccc1CC#N)N(CC)CC ZINC000549717263 334202536 /nfs/dbraw/zinc/20/25/36/334202536.db2.gz YOKGVPQVVSVTAF-HNNXBMFYSA-N 0 3 273.380 2.812 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCCC[C@H]1CC ZINC000249082360 334326969 /nfs/dbraw/zinc/32/69/69/334326969.db2.gz LTZGIUYAGVJHSY-ZBFHGGJFSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CC[C@H](O)CC1 ZINC000252700546 334385680 /nfs/dbraw/zinc/38/56/80/334385680.db2.gz AJDROKFKCYUFSK-SHTZXODSSA-N 0 3 261.365 2.645 20 30 CFEDHN N#CCC[C@@H](C#N)CNCC1(c2ccccc2)CCOCC1 ZINC000554552142 334437767 /nfs/dbraw/zinc/43/77/67/334437767.db2.gz DNTABAGSTPAZLI-INIZCTEOSA-N 0 3 297.402 2.768 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCCC2)CC1 ZINC000555312921 334474353 /nfs/dbraw/zinc/47/43/53/334474353.db2.gz JVTRYOXBJIFNPD-CQSZACIVSA-N 0 3 289.423 2.594 20 30 CFEDHN N#CCC[C@@H](C#N)CNCCC1Cc2ccccc2C1 ZINC000555588760 334483341 /nfs/dbraw/zinc/48/33/41/334483341.db2.gz ZUDWYOOQLPWSQU-HNNXBMFYSA-N 0 3 267.376 2.825 20 30 CFEDHN CCCN(Cc1ccc(C)cc1)C(=O)[C@@H](N)CCCC#N ZINC000564829887 334522773 /nfs/dbraw/zinc/52/27/73/334522773.db2.gz IMXJDKDNYJYUQF-INIZCTEOSA-N 0 3 287.407 2.755 20 30 CFEDHN Cn1c2ccccc2cc(CN2CCC(CC#N)CC2)c1=O ZINC000565488413 334568039 /nfs/dbraw/zinc/56/80/39/334568039.db2.gz HKXPSQWSRUQPMP-UHFFFAOYSA-N 0 3 295.386 2.664 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCC[C@H](c3cccnc3)C2)nn1 ZINC000565885872 334605781 /nfs/dbraw/zinc/60/57/81/334605781.db2.gz BIRVGJJIEWMUTP-HOCLYGCPSA-N 0 3 297.406 2.675 20 30 CFEDHN CC(C)C[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)CCO1 ZINC000567710276 334754332 /nfs/dbraw/zinc/75/43/32/334754332.db2.gz HXKQQULGILWRPS-RBSFLKMASA-N 0 3 263.385 2.613 20 30 CFEDHN C[C@@H]1C[C@@H](NCc2cccc(OCCCC#N)c2)CO1 ZINC000567854015 334768585 /nfs/dbraw/zinc/76/85/85/334768585.db2.gz WLEMEYGSHFVPSJ-UKRRQHHQSA-N 0 3 274.364 2.636 20 30 CFEDHN C=CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000568408735 334823315 /nfs/dbraw/zinc/82/33/15/334823315.db2.gz XCKUBMNSEYAVBG-GOSISDBHSA-N 0 3 286.419 2.790 20 30 CFEDHN CC(C)CN1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342766873 335186761 /nfs/dbraw/zinc/18/67/61/335186761.db2.gz YIFJOKXMWPIVHA-UHFFFAOYSA-N 0 3 271.408 2.526 20 30 CFEDHN CN(Cc1ccc(CC#N)cc1)C[C@H]1CCCCO1 ZINC000342766705 335186822 /nfs/dbraw/zinc/18/68/22/335186822.db2.gz WNWBFBMHHCMCPX-MRXNPFEDSA-N 0 3 258.365 2.754 20 30 CFEDHN C[C@@](C#N)(NC(=O)CN[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000192504676 335266777 /nfs/dbraw/zinc/26/67/77/335266777.db2.gz DQXOORDWHHSTBL-ROUUACIJSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCCCCN1CCN(c2ccncc2OC)CC1 ZINC000577261710 335331460 /nfs/dbraw/zinc/33/14/60/335331460.db2.gz XRQYKRWOBVZRHL-UHFFFAOYSA-N 0 3 275.396 2.569 20 30 CFEDHN C[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)[C@H]1CO ZINC000346299508 335365602 /nfs/dbraw/zinc/36/56/02/335365602.db2.gz BHZHSMNQGSNRLO-BBRMVZONSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000178887659 335457884 /nfs/dbraw/zinc/45/78/84/335457884.db2.gz YJMMRAUOXSSAHU-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(NC(N)=O)cc1 ZINC000349400591 335463308 /nfs/dbraw/zinc/46/33/08/335463308.db2.gz DFGILLWSTYNITG-COPLHBTASA-N 0 3 272.352 2.520 20 30 CFEDHN CO[C@H](CNC1CC(C#N)(c2ccccc2)C1)C(C)C ZINC000364254975 335897876 /nfs/dbraw/zinc/89/78/76/335897876.db2.gz NAGBWPVSELWTBH-AQFXKWCLSA-N 0 3 272.392 2.871 20 30 CFEDHN C[C@H]1CSC[C@@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000367690349 335931018 /nfs/dbraw/zinc/93/10/18/335931018.db2.gz RSWKMGIWQSXOBD-IYOFFGIQSA-N 0 3 272.417 2.951 20 30 CFEDHN C=CCCCCCNC(=O)[C@H](CN)c1ccccc1 ZINC000581320358 336048358 /nfs/dbraw/zinc/04/83/58/336048358.db2.gz BABCJFXYUAYYAH-OAHLLOKOSA-N 0 3 260.381 2.592 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085701723 782136835 /nfs/dbraw/zinc/13/68/35/782136835.db2.gz WYDOKMKHQDKHNR-INIZCTEOSA-N 0 3 299.418 2.681 20 30 CFEDHN C#CCOc1ccccc1NC(=O)[C@H](C)NC(C)(C)CC ZINC000274841365 500571253 /nfs/dbraw/zinc/57/12/53/500571253.db2.gz MDQGAFPYDFTOCQ-ZDUSSCGKSA-N 0 3 288.391 2.804 20 30 CFEDHN CC#CCN1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495909021 500583449 /nfs/dbraw/zinc/58/34/49/500583449.db2.gz GOLVDDGENUEGBF-UHFFFAOYSA-N 0 3 292.423 2.733 20 30 CFEDHN Cc1cc(Cl)ccc1OCCCNC(=O)C(C)C#N ZINC000347066610 533793349 /nfs/dbraw/zinc/79/33/49/533793349.db2.gz KELJOVLHVAFYGU-NSHDSACASA-N 0 3 280.755 2.693 20 30 CFEDHN Cc1cc(N[C@@H]2CCN(C)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413162551 534003003 /nfs/dbraw/zinc/00/30/03/534003003.db2.gz OQRWYWUXZNLFCI-DGCLKSJQSA-N 0 3 288.351 2.670 20 30 CFEDHN C[C@@H]1OCC[C@]1(C)NCC(=O)NCC1CCCCC1 ZINC000330271053 534205955 /nfs/dbraw/zinc/20/59/55/534205955.db2.gz VHYJQCUFLHMXEK-WFASDCNBSA-N 0 3 268.401 2.680 20 30 CFEDHN C=CCCOCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565219150 517325635 /nfs/dbraw/zinc/32/56/35/517325635.db2.gz SSGRANVQOCWATP-AWEZNQCLSA-N 0 3 276.336 2.764 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000334961508 534282199 /nfs/dbraw/zinc/28/21/99/534282199.db2.gz KWUPOOJBFDAJLY-RKDXNWHRSA-N 0 3 252.264 2.644 20 30 CFEDHN CC(C#N)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352224928 534283613 /nfs/dbraw/zinc/28/36/13/534283613.db2.gz FYSWGENHAHQYFG-OCCSQVGLSA-N 0 3 255.321 2.697 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)Cc1ccccc1Br ZINC000347987519 534284451 /nfs/dbraw/zinc/28/44/51/534284451.db2.gz KYUQWWWJFZOGIA-NXEZZACHSA-N 0 3 295.180 2.656 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000352530151 534285250 /nfs/dbraw/zinc/28/52/50/534285250.db2.gz HXIYOFITZUSRQC-OSMZGAPFSA-N 0 3 260.312 2.738 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000354684882 534285351 /nfs/dbraw/zinc/28/53/51/534285351.db2.gz XTELINWALHEQPL-FYBVGQRMSA-N 0 3 266.703 2.611 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@H](N2CCCCC2)C1 ZINC000317263569 518299242 /nfs/dbraw/zinc/29/92/42/518299242.db2.gz MNLZKPURHUIXTH-INIZCTEOSA-N 0 3 297.402 2.825 20 30 CFEDHN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)C(C)C#N)CC3 ZINC000336148708 534367563 /nfs/dbraw/zinc/36/75/63/534367563.db2.gz QPQWSHUPNDCAQF-NEPJUHHUSA-N 0 3 281.359 2.610 20 30 CFEDHN CC(C)(C)N1CCCN(C(=O)c2cscc2C#N)CC1 ZINC000335187154 518709528 /nfs/dbraw/zinc/70/95/28/518709528.db2.gz GWHXDZJEAKZCSD-UHFFFAOYSA-N 0 3 291.420 2.566 20 30 CFEDHN CC(C)(CNC(=O)c1sccc1C#N)N1CCCCC1 ZINC000052147313 519266192 /nfs/dbraw/zinc/26/61/92/519266192.db2.gz URZMJBMBMBWLBN-UHFFFAOYSA-N 0 3 291.420 2.614 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000335170563 519686319 /nfs/dbraw/zinc/68/63/19/519686319.db2.gz SQOXQGKRQSGECR-OAHLLOKOSA-N 0 3 286.379 2.505 20 30 CFEDHN CCOC[C@@H]1CCCN(CCOc2ccc(C#N)cc2)C1 ZINC000072975771 520114029 /nfs/dbraw/zinc/11/40/29/520114029.db2.gz LJBPUMRQCHOLNQ-MRXNPFEDSA-N 0 3 288.391 2.686 20 30 CFEDHN CCN(C)C(=O)[C@H](C)N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360883388 520213876 /nfs/dbraw/zinc/21/38/76/520213876.db2.gz JROPFRHVHCARTA-SUMWQHHRSA-N 0 3 299.418 2.782 20 30 CFEDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)CCN1C ZINC000330030664 534489654 /nfs/dbraw/zinc/48/96/54/534489654.db2.gz RZUAZDUGDDWNAO-RISCZKNCSA-N 0 3 286.379 2.545 20 30 CFEDHN CC1(C)C[C@@H](O)CCN(Cc2cccc(C#N)c2)C1 ZINC000336235522 520529997 /nfs/dbraw/zinc/52/99/97/520529997.db2.gz AEYMXSPQKHTCHM-HNNXBMFYSA-N 0 3 258.365 2.541 20 30 CFEDHN CC1(C)C[C@H](O)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000336307004 520559424 /nfs/dbraw/zinc/55/94/24/520559424.db2.gz SBAHSKUJZZVUHT-CQSZACIVSA-N 0 3 276.355 2.680 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@H](N)c1ccccc1 ZINC000237963397 534567220 /nfs/dbraw/zinc/56/72/20/534567220.db2.gz XJABYTYRLKDOGV-HNNXBMFYSA-N 0 3 258.365 2.571 20 30 CFEDHN CCN1CCC(Nc2nccc(C#N)c2Cl)CC1 ZINC000233475542 521582326 /nfs/dbraw/zinc/58/23/26/521582326.db2.gz QGGFROBGBZLQCA-UHFFFAOYSA-N 0 3 264.760 2.503 20 30 CFEDHN CC[C@H](C)[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000305841294 521877920 /nfs/dbraw/zinc/87/79/20/521877920.db2.gz ZJVDYIFIAAKVNL-RWSFTLGLSA-N 0 3 264.344 2.755 20 30 CFEDHN COc1cc(CN2C[C@@H]3CCCCN3C[C@@H]2C)ccc1C#N ZINC000318422144 522402069 /nfs/dbraw/zinc/40/20/69/522402069.db2.gz MQBDRJHWDBRNHN-YOEHRIQHSA-N 0 3 299.418 2.625 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000054182718 522465215 /nfs/dbraw/zinc/46/52/15/522465215.db2.gz YOAJADJDSBWLDU-JSGCOSHPSA-N 0 3 276.380 2.917 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000192179499 522640920 /nfs/dbraw/zinc/64/09/20/522640920.db2.gz SALHSQRHARNSMX-GJZGRUSLSA-N 0 3 262.328 2.745 20 30 CFEDHN COc1ccc(C#N)cc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000156259941 523523587 /nfs/dbraw/zinc/52/35/87/523523587.db2.gz HBCRVPIXWMRAGG-CQSZACIVSA-N 0 3 296.374 2.670 20 30 CFEDHN COCCN(CCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000063754513 523728991 /nfs/dbraw/zinc/72/89/91/523728991.db2.gz XBPKLQWISOOTCT-UHFFFAOYSA-N 0 3 295.386 2.644 20 30 CFEDHN COCCN(Cc1cc(C#N)n(C)c1)[C@@H]1CC[C@H](C)C1 ZINC000361644893 523739770 /nfs/dbraw/zinc/73/97/70/523739770.db2.gz BUQLQFVCFIRYGP-DZGCQCFKSA-N 0 3 275.396 2.534 20 30 CFEDHN CO[C@H]1C[C@H](NCc2ccc(C#N)s2)C1(C)C ZINC000227830594 524021197 /nfs/dbraw/zinc/02/11/97/524021197.db2.gz NPBZEOIJYNEKHA-RYUDHWBXSA-N 0 3 250.367 2.523 20 30 CFEDHN Cc1ccc(C)c(CN2CCC(n3cnc(C#N)n3)CC2)c1 ZINC000366342137 524100605 /nfs/dbraw/zinc/10/06/05/524100605.db2.gz VZYUQMIQULNUBL-UHFFFAOYSA-N 0 3 295.390 2.604 20 30 CFEDHN C[C@@H](C1CCC1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000325507671 524334151 /nfs/dbraw/zinc/33/41/51/524334151.db2.gz DFNCHCQMTKPSPQ-LBPRGKRZSA-N 0 3 271.364 2.617 20 30 CFEDHN Cc1cc(CN2CCCC[C@@H]2[C@@H](C)O)ccc1C#N ZINC000336302979 524681601 /nfs/dbraw/zinc/68/16/01/524681601.db2.gz QKBROONKDLMKDX-CZUORRHYSA-N 0 3 258.365 2.602 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](C)N1C ZINC000162938469 524991444 /nfs/dbraw/zinc/99/14/44/524991444.db2.gz QAKJLBQWPVMOEC-VXGBXAGGSA-N 0 3 277.799 2.736 20 30 CFEDHN C[C@@H]1CN(Cc2cccc(C#N)c2F)CCN(C2CC2)C1 ZINC000336255216 525000826 /nfs/dbraw/zinc/00/08/26/525000826.db2.gz CEMYROFMLAHAJL-CYBMUJFWSA-N 0 3 287.382 2.613 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncccc1C#N ZINC000274191414 525011856 /nfs/dbraw/zinc/01/18/56/525011856.db2.gz QWFMCFMNTWGMMQ-RHSMWYFYSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@@H]1CSC[C@@H]1NCc1cc(C#N)ccc1F ZINC000336472133 525175871 /nfs/dbraw/zinc/17/58/71/525175871.db2.gz NNRNXCXJEUDAFK-RNCFNFMXSA-N 0 3 250.342 2.538 20 30 CFEDHN C[C@H](NC[C@@H]1CCCC[C@H]1O)c1ccc(C#N)cc1F ZINC000305802364 525386510 /nfs/dbraw/zinc/38/65/10/525386510.db2.gz DZKXUKXYZMCFCD-DETPVDSQSA-N 0 3 276.355 2.899 20 30 CFEDHN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C#N)n(C)c1 ZINC000364716587 526021631 /nfs/dbraw/zinc/02/16/31/526021631.db2.gz GVEWEVPSTZXXEJ-UGSOOPFHSA-N 0 3 295.386 2.721 20 30 CFEDHN C=CCN(CCc1ccco1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000353118038 526317606 /nfs/dbraw/zinc/31/76/06/526317606.db2.gz SDPSOFVOFOPGEB-HUUCEWRRSA-N 0 3 290.407 2.710 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC)[C@H]1CCOC(C)(C)C1 ZINC000351933932 526520969 /nfs/dbraw/zinc/52/09/69/526520969.db2.gz FXNMOKSUMUACFJ-HNNXBMFYSA-N 0 3 296.455 2.691 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)CC1CC(OCC)C1 ZINC000352869811 526558145 /nfs/dbraw/zinc/55/81/45/526558145.db2.gz PQZQISHKVLDOQT-UHFFFAOYSA-N 0 3 293.407 2.965 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCO[C@H](C)C1 ZINC000352802950 526560407 /nfs/dbraw/zinc/56/04/07/526560407.db2.gz XDKLGRBMJAEJKI-CABCVRRESA-N 0 3 293.407 2.965 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000106039632 526583750 /nfs/dbraw/zinc/58/37/50/526583750.db2.gz VXPOIGRADZARKH-UHFFFAOYSA-N 0 3 290.382 2.525 20 30 CFEDHN N#Cc1ccc(NC2CCN(Cc3cccs3)CC2)nc1 ZINC000368807917 526585983 /nfs/dbraw/zinc/58/59/83/526585983.db2.gz ZNSPVCGRPMCKBC-UHFFFAOYSA-N 0 3 298.415 2.513 20 30 CFEDHN C=C(C)CN1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000106245428 526603924 /nfs/dbraw/zinc/60/39/24/526603924.db2.gz XETNUCPUEKOTDB-UHFFFAOYSA-N 0 3 295.408 2.786 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H]2CCOC2)C2CC2)cc1F ZINC000191937957 526609146 /nfs/dbraw/zinc/60/91/46/526609146.db2.gz LOBARGJHJNFUND-ZDUSSCGKSA-N 0 3 274.339 2.698 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000336440210 526616751 /nfs/dbraw/zinc/61/67/51/526616751.db2.gz BBPRDCANJCQNNU-DZGCQCFKSA-N 0 3 274.339 2.556 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000236058741 526626666 /nfs/dbraw/zinc/62/66/66/526626666.db2.gz IASWQWRMTNQWEO-LSDHHAIUSA-N 0 3 276.767 2.869 20 30 CFEDHN Cc1noc([C@H]2CCCN(Cc3cccc(C#N)c3)C2)n1 ZINC000054677113 526668773 /nfs/dbraw/zinc/66/87/73/526668773.db2.gz VCLHZRHSXCDOGK-HNNXBMFYSA-N 0 3 282.347 2.629 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1O ZINC000347804214 526673153 /nfs/dbraw/zinc/67/31/53/526673153.db2.gz ZISPQJVJGUPSQJ-SJORKVTESA-N 0 3 286.419 2.982 20 30 CFEDHN N#Cc1cccc(CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000365850579 526705209 /nfs/dbraw/zinc/70/52/09/526705209.db2.gz YQYKGSARXYGVDZ-LJQANCHMSA-N 0 3 292.382 2.694 20 30 CFEDHN C=C(CN[C@@H](Cc1ccc(F)cc1)C(N)=O)c1ccccc1 ZINC000352267669 526883817 /nfs/dbraw/zinc/88/38/17/526883817.db2.gz YRVAAJUZEMFYRY-KRWDZBQOSA-N 0 3 298.361 2.525 20 30 CFEDHN C=CCOc1ccc(CNCCn2cnnc2C2CC2)cc1 ZINC000347808366 526885655 /nfs/dbraw/zinc/88/56/55/526885655.db2.gz OMECNXPJSLXBKJ-UHFFFAOYSA-N 0 3 298.390 2.510 20 30 CFEDHN C=CCOc1cccc(CN[C@]2(C)CCO[C@H]2C)c1 ZINC000344388111 526905390 /nfs/dbraw/zinc/90/53/90/526905390.db2.gz GLVLDZHQTAALET-XJKSGUPXSA-N 0 3 261.365 2.909 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@H](C(=O)OC)[C@H]1C ZINC000347313442 526933285 /nfs/dbraw/zinc/93/32/85/526933285.db2.gz PNNOKZSWBFZRHR-HIFRSBDPSA-N 0 3 289.375 2.635 20 30 CFEDHN C=CCC(C)(C)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000352535962 527001391 /nfs/dbraw/zinc/00/13/91/527001391.db2.gz XSQYGBAEHCYOTP-STQMWFEESA-N 0 3 252.402 2.578 20 30 CFEDHN C=CCSCCNCc1ccc([N+](=O)[O-])cc1 ZINC000105462521 527003428 /nfs/dbraw/zinc/00/34/28/527003428.db2.gz PZTPCCMDQVDGAR-UHFFFAOYSA-N 0 3 252.339 2.604 20 30 CFEDHN C=CCC1(C(=O)N2CCN(C)CC[C@@H]2C)CCCC1 ZINC000334647917 527043732 /nfs/dbraw/zinc/04/37/32/527043732.db2.gz WJOMCHBPQVNVQY-AWEZNQCLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CC[C@@H](CC)NC(=O)NCCN(C)Cc1ccccc1 ZINC000347755546 527044818 /nfs/dbraw/zinc/04/48/18/527044818.db2.gz SHTUHRSKJOBDNW-MRXNPFEDSA-N 0 3 289.423 2.772 20 30 CFEDHN C=CCCC1(C(=O)NC[C@@H]2CCCCN2CC)CC1 ZINC000355995684 527088744 /nfs/dbraw/zinc/08/87/44/527088744.db2.gz ZLOUAOYUYUWEHM-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCCC(=O)NCCN1CCCC(C)(C)C1 ZINC000347418532 527106913 /nfs/dbraw/zinc/10/69/13/527106913.db2.gz FJKSLRQAFIOIGI-UHFFFAOYSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CCCCC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000344618714 527108821 /nfs/dbraw/zinc/10/88/21/527108821.db2.gz PUSKCYJFSPYCNG-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CCCCCCN(C)CC(=O)N(C)CC1CC1 ZINC000351917348 527127017 /nfs/dbraw/zinc/12/70/17/527127017.db2.gz ADVQWLWNBBGRIJ-UHFFFAOYSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000347624631 527155754 /nfs/dbraw/zinc/15/57/54/527155754.db2.gz NOESBGVUKFYCQM-KBPBESRZSA-N 0 3 267.417 2.515 20 30 CFEDHN C=CC[C@H](CC)NCc1ncc(CN(C)C)s1 ZINC000352867257 527163737 /nfs/dbraw/zinc/16/37/37/527163737.db2.gz OPJJKFDNHDFBKT-NSHDSACASA-N 0 3 253.415 2.649 20 30 CFEDHN CC(C)(CNCc1ccc(C#N)s1)OCC1CC1 ZINC000414513938 527171105 /nfs/dbraw/zinc/17/11/05/527171105.db2.gz HKJMWOWDMNKDNM-UHFFFAOYSA-N 0 3 264.394 2.915 20 30 CFEDHN C=CCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352227350 527324423 /nfs/dbraw/zinc/32/44/23/527324423.db2.gz MTXMFHJRDFIBDB-OAHLLOKOSA-N 0 3 258.365 2.690 20 30 CFEDHN C=C[C@@H](CO)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000353563561 527441915 /nfs/dbraw/zinc/44/19/15/527441915.db2.gz FOLRBPRIOYMYGX-GUYCJALGSA-N 0 3 268.360 2.946 20 30 CFEDHN C=CCC[C@@H](O)CN(Cc1ccccc1OC)C1CC1 ZINC000036102892 527453914 /nfs/dbraw/zinc/45/39/14/527453914.db2.gz YHVATTUSWUXRMM-MRXNPFEDSA-N 0 3 275.392 2.987 20 30 CFEDHN C=CCC[C@H](C)N[C@@H]1CCCc2cn(CCOC)nc21 ZINC000355061349 527466163 /nfs/dbraw/zinc/46/61/63/527466163.db2.gz JHLCHVNQPKZBJR-DZGCQCFKSA-N 0 3 277.412 2.851 20 30 CFEDHN C=CCC[C@H](NCCc1ccn(C)n1)c1ccco1 ZINC000353683355 527483464 /nfs/dbraw/zinc/48/34/64/527483464.db2.gz PQZCQXSIXFTNCQ-AWEZNQCLSA-N 0 3 259.353 2.853 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000353570183 527594916 /nfs/dbraw/zinc/59/49/16/527594916.db2.gz DNHVXFVCLMWAAT-OAGGEKHMSA-N 0 3 275.392 2.507 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C ZINC001085794309 782166364 /nfs/dbraw/zinc/16/63/64/782166364.db2.gz XBCQBUABKKEBDA-OAHLLOKOSA-N 0 3 287.407 2.503 20 30 CFEDHN CCCc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000355096209 528599114 /nfs/dbraw/zinc/59/91/14/528599114.db2.gz ISQCQAXBHJQUMU-OAHLLOKOSA-N 0 3 294.358 2.931 20 30 CFEDHN CCCOc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354481176 528736842 /nfs/dbraw/zinc/73/68/42/528736842.db2.gz XZNYWRILGCJXEQ-AWEZNQCLSA-N 0 3 281.315 2.755 20 30 CFEDHN C=C1CCC(C(=O)N(C)C[C@H]2CCN2C(C)C)CC1 ZINC001085801979 782167597 /nfs/dbraw/zinc/16/75/97/782167597.db2.gz IAFARRBQCCDOKA-OAHLLOKOSA-N 0 3 264.413 2.674 20 30 CFEDHN CCN1CCC[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000353828538 529079407 /nfs/dbraw/zinc/07/94/07/529079407.db2.gz QWCHOLDSJCLRCJ-DLBZAZTESA-N 0 3 299.418 2.674 20 30 CFEDHN CC[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331939373 529299208 /nfs/dbraw/zinc/29/92/08/529299208.db2.gz IGUVBKXIYQDNLL-INMHGKMJSA-N 0 3 293.455 2.941 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085802339 782168397 /nfs/dbraw/zinc/16/83/97/782168397.db2.gz RBDLFZADMGINBT-OAHLLOKOSA-N 0 3 290.407 2.955 20 30 CFEDHN CCO[C@@H]1CCCC[C@H]1NCc1cccc(C#N)c1 ZINC000449757913 535744234 /nfs/dbraw/zinc/74/42/34/535744234.db2.gz DZIZADATHGJFFT-HZPDHXFCSA-N 0 3 258.365 2.996 20 30 CFEDHN CCC[C@]1(CO)CCCN1Cc1cc(C#N)ccc1OC ZINC000444777091 535768191 /nfs/dbraw/zinc/76/81/91/535768191.db2.gz OFOJGTMRVALIDE-QGZVFWFLSA-N 0 3 288.391 2.694 20 30 CFEDHN CC[C@H](NCC[C@@H](C)[S@@](C)=O)c1ccc(C#N)cc1 ZINC000447588186 535905097 /nfs/dbraw/zinc/90/50/97/535905097.db2.gz SSIYGGBUSTVYGR-XFHNUULXSA-N 0 3 278.421 2.756 20 30 CFEDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(C#N)cc1F ZINC000269436750 536603081 /nfs/dbraw/zinc/60/30/81/536603081.db2.gz RJWMCFDWILROKV-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085829260 782175901 /nfs/dbraw/zinc/17/59/01/782175901.db2.gz SODVLHWXMWSMTD-BZUAXINKSA-N 0 3 278.440 2.777 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835708 782178659 /nfs/dbraw/zinc/17/86/59/782178659.db2.gz QNTBKXLSCODDOM-INIZCTEOSA-N 0 3 290.382 2.857 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001085847842 782185114 /nfs/dbraw/zinc/18/51/14/782185114.db2.gz MFAMEKJACRGEOG-HUUCEWRRSA-N 0 3 276.424 2.676 20 30 CFEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C=CC1CC1 ZINC000744031148 574049879 /nfs/dbraw/zinc/04/98/79/574049879.db2.gz RONAWINWSUTPRV-XPSMFNQNSA-N 0 3 298.342 2.699 20 30 CFEDHN C=C(C)COC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000744041007 574049906 /nfs/dbraw/zinc/04/99/06/574049906.db2.gz XHGWEIMJAPWTJX-CYBMUJFWSA-N 0 3 293.750 2.812 20 30 CFEDHN N#CC(C(=O)C=CC1CC1)C(=O)Nc1ccccc1Cl ZINC000744028209 574050002 /nfs/dbraw/zinc/05/00/02/574050002.db2.gz IGUMZLXMTASROA-AEZGRPFRSA-N 0 3 288.734 2.954 20 30 CFEDHN CCC(Cc1cccs1)=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000753930100 574055587 /nfs/dbraw/zinc/05/55/87/574055587.db2.gz VANFHWYMBJBWEA-OKILXGFUSA-N 0 3 290.436 2.917 20 30 CFEDHN C[C@@H]1CC(N=Nc2cccc(C#N)c2)CN1C1CC1 ZINC000753954938 574058939 /nfs/dbraw/zinc/05/89/39/574058939.db2.gz JQOWBJQCLSCFOC-LLVKDONJSA-N 0 3 254.337 2.583 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000736669211 574064564 /nfs/dbraw/zinc/06/45/64/574064564.db2.gz ZGXRJROAONKNGR-DGCLKSJQSA-N 0 3 292.766 2.869 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000736680690 574064973 /nfs/dbraw/zinc/06/49/73/574064973.db2.gz CIIFSHSEMAUFLT-ZANVPECISA-N 0 3 264.275 2.788 20 30 CFEDHN CC(C)N(CCC#N)CC1CCC2(CC1)OCCO2 ZINC000753730966 574073355 /nfs/dbraw/zinc/07/33/55/574073355.db2.gz DDDWBVVIIKJQQB-UHFFFAOYSA-N 0 3 266.385 2.544 20 30 CFEDHN C#CCOc1ccccc1CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC000744448473 574075304 /nfs/dbraw/zinc/07/53/04/574075304.db2.gz JUFSHJBOCWNUQT-AEFFLSMTSA-N 0 3 287.403 2.992 20 30 CFEDHN CC(C)N1CC(N=Nc2cnnc3ccccc23)[C@H](C)C1 ZINC000754259124 574084695 /nfs/dbraw/zinc/08/46/95/574084695.db2.gz MASALKPVJOTLIV-GFCCVEGCSA-N 0 3 283.379 2.758 20 30 CFEDHN COC(=O)C[C@H](NCC#Cc1ccccc1Cl)C1CC1 ZINC000754523183 574100680 /nfs/dbraw/zinc/10/06/80/574100680.db2.gz OGMIAKBEHUJVMU-HNNXBMFYSA-N 0 3 291.778 2.623 20 30 CFEDHN COC(=O)C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000754541793 574101444 /nfs/dbraw/zinc/10/14/44/574101444.db2.gz SAFMYESMRDKAOK-IAQYHMDHSA-N 0 3 272.348 2.551 20 30 CFEDHN C=C(C)CNc1ccccc1CN1CCC(CO)CC1 ZINC000728710923 574105806 /nfs/dbraw/zinc/10/58/06/574105806.db2.gz POHBPSVICBOYNP-UHFFFAOYSA-N 0 3 274.408 2.879 20 30 CFEDHN Cc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000754658883 574111146 /nfs/dbraw/zinc/11/11/46/574111146.db2.gz APBBWTIIGRKUGB-DOMZBBRYSA-N 0 3 293.436 2.762 20 30 CFEDHN C[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CC[N@@H+]1C ZINC000741464054 574120272 /nfs/dbraw/zinc/12/02/72/574120272.db2.gz KJXWVTCGOTWXSO-OAOOSLTHSA-N 0 3 266.772 2.947 20 30 CFEDHN C[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CC[N@H+]1C ZINC000741464054 574120274 /nfs/dbraw/zinc/12/02/74/574120274.db2.gz KJXWVTCGOTWXSO-OAOOSLTHSA-N 0 3 266.772 2.947 20 30 CFEDHN C[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CC[N@@H+]1C ZINC000741464059 574120355 /nfs/dbraw/zinc/12/03/55/574120355.db2.gz KJXWVTCGOTWXSO-WVRUFHCLSA-N 0 3 266.772 2.947 20 30 CFEDHN C[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CC[N@H+]1C ZINC000741464059 574120357 /nfs/dbraw/zinc/12/03/57/574120357.db2.gz KJXWVTCGOTWXSO-WVRUFHCLSA-N 0 3 266.772 2.947 20 30 CFEDHN C[C@@H](CC#N)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000731485122 574121786 /nfs/dbraw/zinc/12/17/86/574121786.db2.gz YILFOGBMLZMRNJ-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN CCCCCCCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000754864337 574125254 /nfs/dbraw/zinc/12/52/54/574125254.db2.gz FMNWUIXIDKBKDI-AWEZNQCLSA-N 0 3 281.444 2.883 20 30 CFEDHN CCCCCCCCNC(=O)N1CC[C@H](N(C)C)C1 ZINC000755077605 574136330 /nfs/dbraw/zinc/13/63/30/574136330.db2.gz HSKCTAUMBNUECM-AWEZNQCLSA-N 0 3 269.433 2.692 20 30 CFEDHN CC(C#N)C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000746246151 574141766 /nfs/dbraw/zinc/14/17/66/574141766.db2.gz JYXDJYBTLLOYML-BHPKHCPMSA-N 0 3 272.348 2.523 20 30 CFEDHN C[Si](C)(C)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000746450874 574149659 /nfs/dbraw/zinc/14/96/59/574149659.db2.gz QZIMGNOYGYPISZ-INIZCTEOSA-N 0 3 287.483 2.746 20 30 CFEDHN C[Si](C)(C)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000746450889 574149734 /nfs/dbraw/zinc/14/97/34/574149734.db2.gz QZIMGNOYGYPISZ-MRXNPFEDSA-N 0 3 287.483 2.746 20 30 CFEDHN C#CCCCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000755264076 574150668 /nfs/dbraw/zinc/15/06/68/574150668.db2.gz RXYRPZYJEPMCOX-KRWDZBQOSA-N 0 3 257.377 2.733 20 30 CFEDHN CN(CCC#N)c1ccc(CNCCOC(C)(C)C)cc1 ZINC000746693063 574163560 /nfs/dbraw/zinc/16/35/60/574163560.db2.gz GXXRXVCINXYSIS-UHFFFAOYSA-N 0 3 289.423 2.941 20 30 CFEDHN N#CC(=C([O-])C=CC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000732708972 574166789 /nfs/dbraw/zinc/16/67/89/574166789.db2.gz WFIOVWAUJOTXAT-SZZPACECSA-N 0 3 295.342 2.722 20 30 CFEDHN N#CC(C(=O)C=CC1CCOCC1)c1nc2ccccc2[nH]1 ZINC000732708972 574166792 /nfs/dbraw/zinc/16/67/92/574166792.db2.gz WFIOVWAUJOTXAT-SZZPACECSA-N 0 3 295.342 2.722 20 30 CFEDHN C#CCCN1CCC(NC(=O)[C@@H](C)SCCCC)CC1 ZINC000740737998 574170471 /nfs/dbraw/zinc/17/04/71/574170471.db2.gz QCHLIRGTECYBOP-CQSZACIVSA-N 0 3 296.480 2.512 20 30 CFEDHN CN(C)CCN(C(=O)C#Cc1ccccc1)C1CCCCC1 ZINC000747391864 574193791 /nfs/dbraw/zinc/19/37/91/574193791.db2.gz ZIGSTXBTZJLUNS-UHFFFAOYSA-N 0 3 298.430 2.761 20 30 CFEDHN Cc1ccc([N+](=O)[O-])cc1N=NC1CN(C2CC2)C[C@H]1C ZINC000755890512 574194150 /nfs/dbraw/zinc/19/41/50/574194150.db2.gz VLUPNKGKHKYRJT-LLVKDONJSA-N 0 3 288.351 2.785 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C(\C)C(C)(C)C)CC1 ZINC000747404479 574194572 /nfs/dbraw/zinc/19/45/72/574194572.db2.gz LFTLZZNFNRUPJU-BUHFOSPRSA-N 0 3 276.424 2.583 20 30 CFEDHN Cc1ccc(CON=C(N)c2ccc(CN(C)C)cc2)cc1 ZINC000747838450 574215163 /nfs/dbraw/zinc/21/51/63/574215163.db2.gz CFAVQMBFPDFRFE-UHFFFAOYSA-N 0 3 297.402 2.894 20 30 CFEDHN CCCCCCCCOCC(=O)N1CCNC(C)(C)C1 ZINC000747920540 574219729 /nfs/dbraw/zinc/21/97/29/574219729.db2.gz ATAQCJRQWXFTQI-UHFFFAOYSA-N 0 3 284.444 2.574 20 30 CFEDHN C=CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000739915143 574228985 /nfs/dbraw/zinc/22/89/85/574228985.db2.gz NYUULPJZKSRQAA-STQMWFEESA-N 0 3 268.401 2.892 20 30 CFEDHN C=CCCN(CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756608212 574251877 /nfs/dbraw/zinc/25/18/77/574251877.db2.gz HNFIGWNXIJRHHG-UHFFFAOYSA-N 0 3 254.374 2.504 20 30 CFEDHN N#CC(C(=O)C[C@H]1CCOC1)c1ccc2ccccc2n1 ZINC000740527592 574254385 /nfs/dbraw/zinc/25/43/85/574254385.db2.gz HQDCCKUDUCQDLE-TZMCWYRMSA-N 0 3 280.327 2.838 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C(\C)c2ccccc2)CC1 ZINC000740737562 574264795 /nfs/dbraw/zinc/26/47/95/574264795.db2.gz QVDMSFWJNVZJPT-FOCLMDBBSA-N 0 3 296.414 2.694 20 30 CFEDHN C#CCCN1CCC(NC(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000740737717 574264819 /nfs/dbraw/zinc/26/48/19/574264819.db2.gz KCAJCNPFFDPANM-MRXNPFEDSA-N 0 3 298.430 2.784 20 30 CFEDHN c1cnc(N=NC2CCCC[C@H]2N2CCCCC2)nc1 ZINC000748780745 574266052 /nfs/dbraw/zinc/26/60/52/574266052.db2.gz NDXSZALHTHUKSV-CQSZACIVSA-N 0 3 273.384 2.673 20 30 CFEDHN CCCCCCCCN1CCO[C@H](CN(C)C)C1 ZINC000740878144 574272039 /nfs/dbraw/zinc/27/20/39/574272039.db2.gz XDUMSTXXIYVDKE-OAHLLOKOSA-N 0 3 256.434 2.609 20 30 CFEDHN C#CCN(CC)Cc1ccc(I)cc1 ZINC000749155672 574282428 /nfs/dbraw/zinc/28/24/28/574282428.db2.gz XXPWRHCHSKUHCI-UHFFFAOYSA-N 0 3 299.155 2.746 20 30 CFEDHN C[C@H]1CCCN1CCNc1ccc(Cl)c(C#N)n1 ZINC000749280276 574287409 /nfs/dbraw/zinc/28/74/09/574287409.db2.gz CLSJUJOLHDLREP-JTQLQIEISA-N 0 3 264.760 2.503 20 30 CFEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)C(C)(C)C)CC1 ZINC000734668742 574297172 /nfs/dbraw/zinc/29/71/72/574297172.db2.gz GTXYEVVRAGIZHV-CYBMUJFWSA-N 0 3 281.444 2.618 20 30 CFEDHN C#CCN(CCC(=O)OC(C)C)[C@@H]1CCc2ccccc21 ZINC000741754444 574301037 /nfs/dbraw/zinc/30/10/37/574301037.db2.gz QUIUHBSIAVLZQV-QGZVFWFLSA-N 0 3 285.387 2.951 20 30 CFEDHN CC#CCN(CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741784213 574303381 /nfs/dbraw/zinc/30/33/81/574303381.db2.gz GYXQFYUODZPVJW-CQSZACIVSA-N 0 3 280.412 2.731 20 30 CFEDHN Cc1cccc(C2(O)CCN(CCCC#N)CC2)c1C ZINC000741803824 574304297 /nfs/dbraw/zinc/30/42/97/574304297.db2.gz GMTGYZSSXPHDGX-UHFFFAOYSA-N 0 3 272.392 2.891 20 30 CFEDHN C=CCCCN(C)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000741797855 574304480 /nfs/dbraw/zinc/30/44/80/574304480.db2.gz YQSLMUNPHJYMEZ-INIZCTEOSA-N 0 3 272.392 2.998 20 30 CFEDHN C#CCN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000725797437 574309939 /nfs/dbraw/zinc/30/99/39/574309939.db2.gz CGUHSEAPJRMYBA-HUUCEWRRSA-N 0 3 292.423 2.874 20 30 CFEDHN CCCC=CC(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000735206498 574316435 /nfs/dbraw/zinc/31/64/35/574316435.db2.gz LDHBVHRAMUAOJL-LHXVZLOVSA-N 0 3 286.331 2.699 20 30 CFEDHN CN(C[C@H]1CCCN(C)C1)c1nc2ccccc2cc1C#N ZINC000750027099 574321306 /nfs/dbraw/zinc/32/13/06/574321306.db2.gz FWDVMZIHVHIDAU-AWEZNQCLSA-N 0 3 294.402 2.884 20 30 CFEDHN C=CCCC[N@@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735412968 574322973 /nfs/dbraw/zinc/32/29/73/574322973.db2.gz NOHKRYVLPVYVSA-UHFFFAOYSA-N 0 3 296.378 2.517 20 30 CFEDHN C=CCCC[N@H+](C)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735412968 574322974 /nfs/dbraw/zinc/32/29/74/574322974.db2.gz NOHKRYVLPVYVSA-UHFFFAOYSA-N 0 3 296.378 2.517 20 30 CFEDHN C=CCCC[N@@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735412968 574322976 /nfs/dbraw/zinc/32/29/76/574322976.db2.gz NOHKRYVLPVYVSA-UHFFFAOYSA-N 0 3 296.378 2.517 20 30 CFEDHN C=CCCC[N@H+](C)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735412968 574322978 /nfs/dbraw/zinc/32/29/78/574322978.db2.gz NOHKRYVLPVYVSA-UHFFFAOYSA-N 0 3 296.378 2.517 20 30 CFEDHN C#CCOc1ccc(CNCCC(F)(F)F)cc1 ZINC000742390809 574327222 /nfs/dbraw/zinc/32/72/22/574327222.db2.gz PPJDPPRBBJCTKY-UHFFFAOYSA-N 0 3 257.255 2.741 20 30 CFEDHN Cc1cccc([C@H]2CCCCCN2CC(=O)NCCC#N)c1 ZINC000735494942 574327488 /nfs/dbraw/zinc/32/74/88/574327488.db2.gz KYOQEPKBFBZBFB-QGZVFWFLSA-N 0 3 299.418 2.942 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3C[C@@H]3C)nc21 ZINC000735793129 574336052 /nfs/dbraw/zinc/33/60/52/574336052.db2.gz QRYCKBYCQOBHHT-HBNTYKKESA-N 0 3 253.305 2.704 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3C[C@@H]3C)[nH]c21 ZINC000735793129 574336053 /nfs/dbraw/zinc/33/60/53/574336053.db2.gz QRYCKBYCQOBHHT-HBNTYKKESA-N 0 3 253.305 2.704 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)C[C@H]3CCCO3)nc21 ZINC000735792942 574336099 /nfs/dbraw/zinc/33/60/99/574336099.db2.gz PBJUFUFXVSSCHM-VXGBXAGGSA-N 0 3 283.331 2.617 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000742644223 574338130 /nfs/dbraw/zinc/33/81/30/574338130.db2.gz WKAMEDNUBHAUBV-CQSZACIVSA-N 0 3 290.407 2.848 20 30 CFEDHN C#CCOc1cccc(NC(=O)[C@H](CC)N(CC)CC)c1 ZINC000736015088 574347376 /nfs/dbraw/zinc/34/73/76/574347376.db2.gz FHTSWIPDKWIMGL-INIZCTEOSA-N 0 3 288.391 2.758 20 30 CFEDHN COc1ccc(N=NC2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000750921892 574362825 /nfs/dbraw/zinc/36/28/25/574362825.db2.gz LSPYFLINGWMKSP-LLVKDONJSA-N 0 3 259.353 2.720 20 30 CFEDHN C#CCNC(=O)CCN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000743472228 574366025 /nfs/dbraw/zinc/36/60/25/574366025.db2.gz BNCRJOMLNPUDED-CQSZACIVSA-N 0 3 286.419 2.774 20 30 CFEDHN CCCCNN=C(C)c1cccc(OCCN(C)C)c1 ZINC000743531498 574368033 /nfs/dbraw/zinc/36/80/33/574368033.db2.gz ZTQNQNBTBNTYOY-UHFFFAOYSA-N 0 3 277.412 2.741 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)c1ccc(C)o1 ZINC000744021678 574375870 /nfs/dbraw/zinc/37/58/70/574375870.db2.gz CCRAQTVHKKXNIL-CHWSQXEVSA-N 0 3 290.363 2.707 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000744021680 574375926 /nfs/dbraw/zinc/37/59/26/574375926.db2.gz CCRAQTVHKKXNIL-QWHCGFSZSA-N 0 3 290.363 2.707 20 30 CFEDHN Cc1ccc(N(C)[C@H]2CCCN(C(=O)C(C)C#N)C2)cc1 ZINC000753049539 574397908 /nfs/dbraw/zinc/39/79/08/574397908.db2.gz XPYDUKBBUNFABZ-HOCLYGCPSA-N 0 3 285.391 2.582 20 30 CFEDHN C#CCCN1CCC(NC(=O)C(C)(C)CC(C)C)CC1 ZINC000753308581 574401305 /nfs/dbraw/zinc/40/13/05/574401305.db2.gz JEHOIJDZOYMBKJ-UHFFFAOYSA-N 0 3 278.440 2.663 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977314524 613033401 /nfs/dbraw/zinc/03/34/01/613033401.db2.gz ACUUZRAQWKBKOM-CQSZACIVSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973009761 613038827 /nfs/dbraw/zinc/03/88/27/613038827.db2.gz JSNSEHQJUCJQAF-AWEZNQCLSA-N 0 3 290.432 2.520 20 30 CFEDHN C[C@H](C#N)OCCN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000801939370 630492462 /nfs/dbraw/zinc/49/24/62/630492462.db2.gz SIAKXJWODFRANK-GMTAPVOTSA-N 0 3 264.291 2.578 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000819730387 606996107 /nfs/dbraw/zinc/99/61/07/606996107.db2.gz YKAMIDHCXIDSLB-NWDGAFQWSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000819730387 606996109 /nfs/dbraw/zinc/99/61/09/606996109.db2.gz YKAMIDHCXIDSLB-NWDGAFQWSA-N 0 3 271.368 2.557 20 30 CFEDHN C#CCCN1CC([C@@H](C)NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000969735540 612994578 /nfs/dbraw/zinc/99/45/78/612994578.db2.gz VJBZBHQJFOAEKE-CVEARBPZSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000981197880 613003968 /nfs/dbraw/zinc/00/39/68/613003968.db2.gz QQTZATDDVQBAQT-JKSUJKDBSA-N 0 3 290.451 2.616 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966005509 613014180 /nfs/dbraw/zinc/01/41/80/613014180.db2.gz VFGPDQBYOMZSFR-DOMZBBRYSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000968607210 613014321 /nfs/dbraw/zinc/01/43/21/613014321.db2.gz POQKIYAYSVIQOM-QAPCUYQASA-N 0 3 298.430 2.767 20 30 CFEDHN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965900770 613014688 /nfs/dbraw/zinc/01/46/88/613014688.db2.gz MUCTWTKYYRXGIP-UKRRQHHQSA-N 0 3 292.398 2.634 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965887274 613022446 /nfs/dbraw/zinc/02/24/46/613022446.db2.gz USFLVGNQMGTMRV-YOEHRIQHSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965453634 613022572 /nfs/dbraw/zinc/02/25/72/613022572.db2.gz UVRCTZTZCNZKEK-RDJZCZTQSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CC)C1 ZINC000968078775 613023065 /nfs/dbraw/zinc/02/30/65/613023065.db2.gz LOVJRXPIOYCVFU-YJBOKZPZSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966005512 613023593 /nfs/dbraw/zinc/02/35/93/613023593.db2.gz VFGPDQBYOMZSFR-WFASDCNBSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965860432 613023926 /nfs/dbraw/zinc/02/39/26/613023926.db2.gz JZFFUVZNNWQIRD-UONOGXRCSA-N 0 3 290.451 2.519 20 30 CFEDHN C#CCCN1CC[C@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965626491 613024099 /nfs/dbraw/zinc/02/40/99/613024099.db2.gz QHQOIWRYVDDXIG-DOTOQJQBSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974488805 613031141 /nfs/dbraw/zinc/03/11/41/613031141.db2.gz FBQBYQWKRAKHSU-MRXNPFEDSA-N 0 3 288.435 2.727 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914919 613031400 /nfs/dbraw/zinc/03/14/00/613031400.db2.gz JOUGPSFVSSZMMB-HZPDHXFCSA-N 0 3 288.435 2.583 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974941926 613031576 /nfs/dbraw/zinc/03/15/76/613031576.db2.gz BCDQAFHNGHJEGT-OAHLLOKOSA-N 0 3 290.451 2.663 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2ccc(CC)cc2)C(C)(C)C1 ZINC000977577079 613032785 /nfs/dbraw/zinc/03/27/85/613032785.db2.gz RMKOOSRUYIXCSB-QGZVFWFLSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1C[C@@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973009762 613033299 /nfs/dbraw/zinc/03/32/99/613033299.db2.gz JSNSEHQJUCJQAF-CQSZACIVSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCCN1C[C@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000975083824 613038479 /nfs/dbraw/zinc/03/84/79/613038479.db2.gz AXGSPPGKHPZNBJ-KRWDZBQOSA-N 0 3 296.414 2.793 20 30 CFEDHN C#CCN1CCCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC000968831669 613148105 /nfs/dbraw/zinc/14/81/05/613148105.db2.gz PFYNRPCLGCSIJW-KRWDZBQOSA-N 0 3 288.435 2.871 20 30 CFEDHN C/C=C(\C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)cc2)C1 ZINC000971305330 613160671 /nfs/dbraw/zinc/16/06/71/613160671.db2.gz OHHHYEPEAYMOKF-MYRMFFISSA-N 0 3 297.402 2.557 20 30 CFEDHN C#CCN1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000948789870 613161921 /nfs/dbraw/zinc/16/19/21/613161921.db2.gz UPPAYJBFGZQKCG-BRWVUGGUSA-N 0 3 290.451 2.615 20 30 CFEDHN C#Cc1ccc(C(=O)N2CCN(CC(CC)CC)CC2)cc1 ZINC000949596856 613170013 /nfs/dbraw/zinc/17/00/13/613170013.db2.gz BBGUSRWQBYIGBS-UHFFFAOYSA-N 0 3 298.430 2.862 20 30 CFEDHN C#CCN1CCC[C@H](N(C)C(=O)c2ccccc2CC)CC1 ZINC000948722468 613179827 /nfs/dbraw/zinc/17/98/27/613179827.db2.gz PZIOUMWGWYIUDG-KRWDZBQOSA-N 0 3 298.430 2.809 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2)C[C@@H]1C ZINC000947962242 613236961 /nfs/dbraw/zinc/23/69/61/613236961.db2.gz LLTVPXJFUCRTRR-SWLSCSKDSA-N 0 3 290.794 2.556 20 30 CFEDHN C#CCN1CC[C@@H](NC(=O)c2ccccc2C(C)C)[C@H](C)C1 ZINC000942109000 613237847 /nfs/dbraw/zinc/23/78/47/613237847.db2.gz LBUNZOQMUXGNOG-CRAIPNDOSA-N 0 3 298.430 2.883 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCCN(C[C@@H](CC)OC)CC1 ZINC000981740869 613240561 /nfs/dbraw/zinc/24/05/61/613240561.db2.gz HKXXEUQHTHODET-OAHLLOKOSA-N 0 3 296.455 2.548 20 30 CFEDHN C=C(C)CCN1CCCN(C(=O)c2cc(C)sn2)CC1 ZINC000981060767 613254891 /nfs/dbraw/zinc/25/48/91/613254891.db2.gz ILHZGLUDZKXTKI-UHFFFAOYSA-N 0 3 293.436 2.566 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)CC2CCCCCC2)C[C@@H]1C ZINC000947753238 613258464 /nfs/dbraw/zinc/25/84/64/613258464.db2.gz CUKQDMMOEUIHQQ-RDJZCZTQSA-N 0 3 290.451 2.949 20 30 CFEDHN C#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000945224321 613270475 /nfs/dbraw/zinc/27/04/75/613270475.db2.gz QTXKYYPNOXCGDK-KSSFIOAISA-N 0 3 296.414 2.637 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969372806 613298543 /nfs/dbraw/zinc/29/85/43/613298543.db2.gz JMCDKXZAQFQMCS-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970859189 613300505 /nfs/dbraw/zinc/30/05/05/613300505.db2.gz ALOGZOHMTUDEFI-CQSZACIVSA-N 0 3 298.430 2.802 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC000970888828 613301697 /nfs/dbraw/zinc/30/16/97/613301697.db2.gz KNMWMBZUUQNHHO-AWEZNQCLSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)coc2C)C1 ZINC000969606355 613302711 /nfs/dbraw/zinc/30/27/11/613302711.db2.gz QXXJIBFPBRIVPD-LBPRGKRZSA-N 0 3 276.380 2.523 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970859188 613303138 /nfs/dbraw/zinc/30/31/38/613303138.db2.gz ALOGZOHMTUDEFI-AWEZNQCLSA-N 0 3 298.430 2.802 20 30 CFEDHN C=C(C)CN1CC([C@H](C)NC(=O)c2cccc(C)c2F)C1 ZINC000969722562 613303372 /nfs/dbraw/zinc/30/33/72/613303372.db2.gz ROFOVYUPVPJPKI-ZDUSSCGKSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1oncc1C ZINC000969097522 613306711 /nfs/dbraw/zinc/30/67/11/613306711.db2.gz MSXNVYZNESPUSG-CQSZACIVSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1nocc1C ZINC000969105254 613307260 /nfs/dbraw/zinc/30/72/60/613307260.db2.gz GDQUEKKMFQANFO-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000981226291 613308571 /nfs/dbraw/zinc/30/85/71/613308571.db2.gz CJIUYUJCIFLLIB-HOTGVXAUSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968525428 613332185 /nfs/dbraw/zinc/33/21/85/613332185.db2.gz RIZIZGPWXLMIDL-BBRMVZONSA-N 0 3 290.451 2.825 20 30 CFEDHN C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000980927542 613347890 /nfs/dbraw/zinc/34/78/90/613347890.db2.gz VTQWSNNYKFUCKO-KGLIPLIRSA-N 0 3 288.391 2.599 20 30 CFEDHN C=CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(CCF)C2)C1 ZINC000961234836 613433071 /nfs/dbraw/zinc/43/30/71/613433071.db2.gz XXPFQLWUVPXUQQ-GJZGRUSLSA-N 0 3 296.430 2.729 20 30 CFEDHN C=CCCN1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC000981709172 613491728 /nfs/dbraw/zinc/49/17/28/613491728.db2.gz YIBWLKXUOJZRON-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCCN1CCCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000981683118 613495311 /nfs/dbraw/zinc/49/53/11/613495311.db2.gz SOXXYBHGUSCUPX-SCAQPMJSSA-N 0 3 276.424 2.533 20 30 CFEDHN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967064584 613514777 /nfs/dbraw/zinc/51/47/77/613514777.db2.gz UXFNGVXNENTORQ-KGLIPLIRSA-N 0 3 282.403 2.671 20 30 CFEDHN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC000967915146 613517553 /nfs/dbraw/zinc/51/75/53/613517553.db2.gz 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CDYKZRKGWMKAQR-JHJVBQTASA-N 0 3 284.831 2.802 20 30 CFEDHN C#C[C@@H]1CCCCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000890656288 617742209 /nfs/dbraw/zinc/74/22/09/617742209.db2.gz VUJUBFRPTDSJHD-MRXNPFEDSA-N 0 3 295.386 2.919 20 30 CFEDHN CN(CCCOC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933769707 617772805 /nfs/dbraw/zinc/77/28/05/617772805.db2.gz DBDSYQQXQALEOE-UHFFFAOYSA-N 0 3 278.299 2.978 20 30 CFEDHN C#CCN(Cc1ccc(-n2ccnc2)nc1)C(C)(C)C ZINC000932463415 617775474 /nfs/dbraw/zinc/77/54/74/617775474.db2.gz HLALDGCEUNHJRL-UHFFFAOYSA-N 0 3 268.364 2.501 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2csc(C)c2)C1 ZINC001020746510 617792079 /nfs/dbraw/zinc/79/20/79/617792079.db2.gz UVPNRROQHOXIEM-HAQNSBGRSA-N 0 3 284.812 2.659 20 30 CFEDHN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nc2ccccc2[nH]1 ZINC000176080516 617827459 /nfs/dbraw/zinc/82/74/59/617827459.db2.gz JSFQCSJLYDPQAP-GRYCIOLGSA-N 0 3 265.316 2.785 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001020917855 617829216 /nfs/dbraw/zinc/82/92/16/617829216.db2.gz RDSJITWMMPLWRB-HAQNSBGRSA-N 0 3 296.798 2.753 20 30 CFEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC000840538609 617977010 /nfs/dbraw/zinc/97/70/10/617977010.db2.gz QBNRGNAKFSMTMG-INIZCTEOSA-N 0 3 286.419 2.774 20 30 CFEDHN Cc1cccnc1[C@H](NCCO[C@H](C)C#N)C(C)(C)C ZINC000934289736 617987859 /nfs/dbraw/zinc/98/78/59/617987859.db2.gz QQSCSSPPJUCQIH-HIFRSBDPSA-N 0 3 275.396 2.996 20 30 CFEDHN CC(=NN[C@H](Cc1ccccc1)C(C)C)c1c[nH]c(N)n1 ZINC000901222662 620773182 /nfs/dbraw/zinc/77/31/82/620773182.db2.gz OQIYQNOFDBGJSN-CQSZACIVSA-N 0 3 285.395 2.573 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001023047390 618152959 /nfs/dbraw/zinc/15/29/59/618152959.db2.gz YBICJQWIDFTAHF-GASCZTMLSA-N 0 3 292.810 2.852 20 30 CFEDHN CC#CCN1CCC[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001023330491 618182219 /nfs/dbraw/zinc/18/22/19/618182219.db2.gz KANUPZFSCMZEOE-INIZCTEOSA-N 0 3 288.435 2.728 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)c2ccsc2C)C1 ZINC001023352276 618184350 /nfs/dbraw/zinc/18/43/50/618184350.db2.gz IOPNWMXXDCUWHU-CQSZACIVSA-N 0 3 290.432 2.522 20 30 CFEDHN C#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001023388581 618186721 /nfs/dbraw/zinc/18/67/21/618186721.db2.gz NELQRKRAJNHBHW-DLBZAZTESA-N 0 3 288.435 2.584 20 30 CFEDHN C=CCC1(CN[C@H](C)c2cc(CO)on2)CCCC1 ZINC000926543141 618191964 /nfs/dbraw/zinc/19/19/64/618191964.db2.gz VTZMFTXPWIAEDI-GFCCVEGCSA-N 0 3 264.369 2.954 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cccnc2Cl)CCC1 ZINC000933300632 618194490 /nfs/dbraw/zinc/19/44/90/618194490.db2.gz IWFIIMHNRDBFNU-NSHDSACASA-N 0 3 291.782 2.598 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001022011804 618196727 /nfs/dbraw/zinc/19/67/27/618196727.db2.gz QUKWRGNTGCDUTG-DTORHVGOSA-N 0 3 289.162 2.536 20 30 CFEDHN CC#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001023544712 618198263 /nfs/dbraw/zinc/19/82/63/618198263.db2.gz NYOASJRRLLWFRR-CVEARBPZSA-N 0 3 290.451 2.664 20 30 CFEDHN C=CCN1CCC[C@H](CNC(=O)c2occc2Cl)C1 ZINC001023572112 618200921 /nfs/dbraw/zinc/20/09/21/618200921.db2.gz VSIFIQFPAVZRQH-LLVKDONJSA-N 0 3 282.771 2.561 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC000935249684 618215747 /nfs/dbraw/zinc/21/57/47/618215747.db2.gz DJUSNXTZCHIZLQ-UONOGXRCSA-N 0 3 252.402 2.720 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc([O-])cc(F)c1 ZINC000926611739 618234512 /nfs/dbraw/zinc/23/45/12/618234512.db2.gz PXVMBBGAGTUASD-PGUXBMHVSA-N 0 3 265.328 2.773 20 30 CFEDHN C[C@H](C#N)OCCN[C@@H](C)c1ccccc1Cl ZINC000310197518 618270582 /nfs/dbraw/zinc/27/05/82/618270582.db2.gz ZKBHVABGYJKNDX-MNOVXSKESA-N 0 3 252.745 2.919 20 30 CFEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cnnn1-c1ccccc1 ZINC000926617289 618271555 /nfs/dbraw/zinc/27/15/55/618271555.db2.gz WZZKKWYLABMUFL-HZSPNIEDSA-N 0 3 281.363 2.610 20 30 CFEDHN CC(C)Cc1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000930818221 618283109 /nfs/dbraw/zinc/28/31/09/618283109.db2.gz DNNMSBUUWLTRHB-KRWDZBQOSA-N 0 3 272.392 2.736 20 30 CFEDHN C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001024336734 618295993 /nfs/dbraw/zinc/29/59/93/618295993.db2.gz FYTCPMWLWURNPR-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001024336734 618295996 /nfs/dbraw/zinc/29/59/96/618295996.db2.gz FYTCPMWLWURNPR-CQSZACIVSA-N 0 3 288.391 2.553 20 30 CFEDHN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001024415059 618308769 /nfs/dbraw/zinc/30/87/69/618308769.db2.gz OEJMPFVMAIPFEY-GFCCVEGCSA-N 0 3 294.782 2.541 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001024510837 618340230 /nfs/dbraw/zinc/34/02/30/618340230.db2.gz YMSHXAQQGCJXMR-HNNXBMFYSA-N 0 3 289.423 2.792 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001024510838 618341115 /nfs/dbraw/zinc/34/11/15/618341115.db2.gz YMSHXAQQGCJXMR-OAHLLOKOSA-N 0 3 289.423 2.792 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cnn(C2CCC2)c1 ZINC000925631520 618359899 /nfs/dbraw/zinc/35/98/99/618359899.db2.gz HPQGNMPJGXFLPZ-ZDUSSCGKSA-N 0 3 263.385 2.851 20 30 CFEDHN C=C(Br)CN[C@H]1C[C@H](OCC)C12CCC2 ZINC000162548817 618373907 /nfs/dbraw/zinc/37/39/07/618373907.db2.gz DQJQCJQZRYRNSE-QWRGUYRKSA-N 0 3 274.202 2.832 20 30 CFEDHN C=C(C)CN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024564558 618377448 /nfs/dbraw/zinc/37/74/48/618377448.db2.gz KQRZFTIQFQKLMY-BFYDXBDKSA-N 0 3 276.424 2.723 20 30 CFEDHN N#Cc1ccc(F)c(CN[C@@H]2CCCSC2)c1 ZINC000167466747 618383701 /nfs/dbraw/zinc/38/37/01/618383701.db2.gz BREQTSKDJHBPOI-GFCCVEGCSA-N 0 3 250.342 2.683 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024629233 618426632 /nfs/dbraw/zinc/42/66/32/618426632.db2.gz AAFRQJGPEZBNCH-FUHWJXTLSA-N 0 3 298.430 2.873 20 30 CFEDHN CN(C)[C@H](CNCC#Cc1ccccc1)c1ccsc1 ZINC000892508382 618427539 /nfs/dbraw/zinc/42/75/39/618427539.db2.gz SBNBDEAPQDWNMN-QGZVFWFLSA-N 0 3 284.428 2.992 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006663328 618457145 /nfs/dbraw/zinc/45/71/45/618457145.db2.gz AVDLXNRKIAFIFP-MRXNPFEDSA-N 0 3 276.424 2.561 20 30 CFEDHN Cc1c(Cl)cnc(N2[C@@H]3CC[C@H]2CCN(C)C3)c1C#N ZINC000895193252 618460673 /nfs/dbraw/zinc/46/06/73/618460673.db2.gz RKWARLUKGDMWBK-NWDGAFQWSA-N 0 3 290.798 2.588 20 30 CFEDHN C=CC[C@@H]1CCCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895250299 618497078 /nfs/dbraw/zinc/49/70/78/618497078.db2.gz HPTICVNNOQAHIE-CYBMUJFWSA-N 0 3 291.464 2.998 20 30 CFEDHN COC(=O)c1ccc(CN2CCC[C@@H](CC#N)C2)cc1C ZINC000895314567 618528347 /nfs/dbraw/zinc/52/83/47/618528347.db2.gz XNODXALBBZPQGX-AWEZNQCLSA-N 0 3 286.375 2.907 20 30 CFEDHN CCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)c([O-])c1 ZINC000727466532 618542431 /nfs/dbraw/zinc/54/24/31/618542431.db2.gz YLHRCHSGKJLTEQ-UHFFFAOYSA-N 0 3 282.343 2.952 20 30 CFEDHN C#CCCN(C/C=C/c1cccc(F)c1)CCOC ZINC000895349226 618544089 /nfs/dbraw/zinc/54/40/89/618544089.db2.gz CTIJFVILSOTBSZ-SOFGYWHQSA-N 0 3 261.340 2.811 20 30 CFEDHN C=CCC[C@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320211362 618561184 /nfs/dbraw/zinc/56/11/84/618561184.db2.gz FIFQCJCTRKVQJH-GFCCVEGCSA-N 0 3 284.743 2.665 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000249142006 618651146 /nfs/dbraw/zinc/65/11/46/618651146.db2.gz FTMUEBHRHCXXFX-WMLDXEAASA-N 0 3 273.376 2.555 20 30 CFEDHN CCCCCCCCc1nnc(NC(=O)CNC)s1 ZINC000236636955 618742749 /nfs/dbraw/zinc/74/27/49/618742749.db2.gz OXWKKBUUUIMUEY-UHFFFAOYSA-N 0 3 284.429 2.599 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@@]1(C)CN2CCC1CC2)c1ccccc1 ZINC000892778961 618745790 /nfs/dbraw/zinc/74/57/90/618745790.db2.gz OCWLPNHSYZBDFG-KXBFYZLASA-N 0 3 298.430 2.947 20 30 CFEDHN COC1CCN(CCNc2cc(C)cc(F)c2C#N)CC1 ZINC000892854196 618757762 /nfs/dbraw/zinc/75/77/62/618757762.db2.gz RZWSQIITXOEFNU-UHFFFAOYSA-N 0 3 291.370 2.529 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCc1cccc(C(=O)N(C)C)c1 ZINC000924609754 618767548 /nfs/dbraw/zinc/76/75/48/618767548.db2.gz WNMVFIAETJEPOH-CYBMUJFWSA-N 0 3 287.407 2.806 20 30 CFEDHN C[C@H](NCc1ccc(CO)cc1)c1ccc(OCC#N)cc1 ZINC000318767602 618926843 /nfs/dbraw/zinc/92/68/43/618926843.db2.gz ATBVKHRBAVRVCD-AWEZNQCLSA-N 0 3 296.370 2.932 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001009601759 619003021 /nfs/dbraw/zinc/00/30/21/619003021.db2.gz HQWTYCIIDSKGTN-SJORKVTESA-N 0 3 298.430 2.702 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccsc1C(=O)OC ZINC000894217608 619268413 /nfs/dbraw/zinc/26/84/13/619268413.db2.gz BAEAAYHXEGVMEE-WCQYABFASA-N 0 3 295.404 2.606 20 30 CFEDHN C[C@@H]1CN(CCCCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880061370 619382454 /nfs/dbraw/zinc/38/24/54/619382454.db2.gz UDQQHCIOBKLZBY-MNOVXSKESA-N 0 3 264.291 2.722 20 30 CFEDHN C=C(CNC(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1ccccc1 ZINC000894847765 619481870 /nfs/dbraw/zinc/48/18/70/619481870.db2.gz GARAEBRJWIEIJV-IRXDYDNUSA-N 0 3 299.418 2.578 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1nccc2ccccc21 ZINC000894900165 619505823 /nfs/dbraw/zinc/50/58/23/619505823.db2.gz BMBFKHASCCYAPZ-ZBFHGGJFSA-N 0 3 254.333 2.668 20 30 CFEDHN COC(=O)c1[nH]c2ccccc2c1CNCC(C)(C)CC#N ZINC000894984992 619522661 /nfs/dbraw/zinc/52/26/61/619522661.db2.gz IOZICRKXTKIXMJ-UHFFFAOYSA-N 0 3 299.374 2.984 20 30 CFEDHN C[C@@H]1[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CCN1C ZINC000895734890 619596347 /nfs/dbraw/zinc/59/63/47/619596347.db2.gz BEGLBTJBNHUUEC-DGCLKSJQSA-N 0 3 272.396 2.755 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(O)(CC=C)CC1 ZINC000895836003 619620191 /nfs/dbraw/zinc/62/01/91/619620191.db2.gz UGWZPBKCIQUOCV-UHFFFAOYSA-N 0 3 285.387 2.602 20 30 CFEDHN C=CCC1(O)CCN(Cc2sccc2OC)CC1 ZINC000895835628 619620385 /nfs/dbraw/zinc/62/03/85/619620385.db2.gz JMUHDAQMIJMEHL-UHFFFAOYSA-N 0 3 267.394 2.660 20 30 CFEDHN Cc1nc(CN[C@H]2Cc3ccc(C#N)cc3C2)sc1C ZINC000895861177 619620632 /nfs/dbraw/zinc/62/06/32/619620632.db2.gz NHCHWIUAGRWVMO-HNNXBMFYSA-N 0 3 283.400 2.889 20 30 CFEDHN N#Cc1cc(CN2CC[C@H]([C@@H]3CCCO3)C2)cs1 ZINC000896060684 619664033 /nfs/dbraw/zinc/66/40/33/619664033.db2.gz NYEUDYDJYQOSFH-JSGCOSHPSA-N 0 3 262.378 2.621 20 30 CFEDHN C(#Cc1ccccc1)CNC[C@H]1CC2(CCC2)CO1 ZINC000896051140 619664526 /nfs/dbraw/zinc/66/45/26/619664526.db2.gz ANOIAFAJGGYZAB-MRXNPFEDSA-N 0 3 255.361 2.587 20 30 CFEDHN C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000896096256 619672917 /nfs/dbraw/zinc/67/29/17/619672917.db2.gz ZLCNIPIQUVILGH-CABCVRRESA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)CN(C)Cn1cnc2cc(F)c(F)cc21 ZINC000182625501 625363526 /nfs/dbraw/zinc/36/35/26/625363526.db2.gz VDFCHWXFUFQEPY-UHFFFAOYSA-N 0 3 251.280 2.780 20 30 CFEDHN C=CC(C)(C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000896288010 619710875 /nfs/dbraw/zinc/71/08/75/619710875.db2.gz ZHRDVSYAJPCCEY-GJZGRUSLSA-N 0 3 293.455 2.857 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(C)c(Br)cn1 ZINC000883399404 619720283 /nfs/dbraw/zinc/72/02/83/619720283.db2.gz LQAGUJOBHSXSLC-GFCCVEGCSA-N 0 3 299.212 2.569 20 30 CFEDHN C[C@@H](C#N)Oc1ccc(CN2CCO[C@@H](C)CC2)cc1 ZINC000896584019 619767586 /nfs/dbraw/zinc/76/75/86/619767586.db2.gz KGAHHOBTSBHPJD-KBPBESRZSA-N 0 3 274.364 2.588 20 30 CFEDHN FC(F)(F)CN1CCC[C@@H]1CNCC#Cc1ccccc1 ZINC000896834277 619835931 /nfs/dbraw/zinc/83/59/31/619835931.db2.gz PFZWMJDCQRKTES-OAHLLOKOSA-N 0 3 296.336 2.654 20 30 CFEDHN C=C1CC(c2noc(C3CCN(C4CC4)CC3)n2)C1 ZINC000896878124 619854600 /nfs/dbraw/zinc/85/46/00/619854600.db2.gz TXTPTSNTEOXYIB-UHFFFAOYSA-N 0 3 259.353 2.845 20 30 CFEDHN CCN1CCCN(c2nc(Cl)c(C#N)s2)[C@H](C)C1 ZINC000320557439 619931351 /nfs/dbraw/zinc/93/13/51/619931351.db2.gz QIWFHGDPNLVDME-SECBINFHSA-N 0 3 284.816 2.589 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897331464 619997561 /nfs/dbraw/zinc/99/75/61/619997561.db2.gz OLAAHSZDNQMONB-INIZCTEOSA-N 0 3 290.407 2.769 20 30 CFEDHN COc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000034991123 620003802 /nfs/dbraw/zinc/00/38/02/620003802.db2.gz OARMRJRDLPVGJJ-UHFFFAOYSA-N 0 3 282.343 2.887 20 30 CFEDHN N#Cc1cc(CNC[C@@H]2CC[C@H](C3CC3)O2)cs1 ZINC000897501213 620192522 /nfs/dbraw/zinc/19/25/22/620192522.db2.gz PIJVBFZFQIJFCK-GXTWGEPZSA-N 0 3 262.378 2.667 20 30 CFEDHN C[C@@H](CC(C)(C)C#N)N[C@H]1CCN(c2ccccc2)C1=O ZINC000925286242 620192824 /nfs/dbraw/zinc/19/28/24/620192824.db2.gz NLNLTYGKJMFBPR-ZFWWWQNUSA-N 0 3 285.391 2.710 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@H]2CCCC[C@H]2O)c1 ZINC000897537260 620222543 /nfs/dbraw/zinc/22/25/43/620222543.db2.gz QTMPHUQVUOYALO-TZMCWYRMSA-N 0 3 293.798 2.637 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cscc2C(F)F)C1 ZINC000988851374 620225879 /nfs/dbraw/zinc/22/58/79/620225879.db2.gz PIHPNDHZQBXWHL-ZJUUUORDSA-N 0 3 298.358 2.512 20 30 CFEDHN C=C(CC)CNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897932096 620302285 /nfs/dbraw/zinc/30/22/85/620302285.db2.gz CBOWESUESFMJQH-INIZCTEOSA-N 0 3 290.407 2.817 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000989527073 620380405 /nfs/dbraw/zinc/38/04/05/620380405.db2.gz FNMXSXPJWPKKCE-UHFFFAOYSA-N 0 3 290.382 2.858 20 30 CFEDHN C=CCCN1CCCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000989609126 620383219 /nfs/dbraw/zinc/38/32/19/620383219.db2.gz RZHZBBUPNDDVGS-UHFFFAOYSA-N 0 3 298.430 2.829 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C(C)C)c2)C1 ZINC000989644415 620384416 /nfs/dbraw/zinc/38/44/16/620384416.db2.gz WQDIPWCSWSDVLH-PBHICJAKSA-N 0 3 284.403 2.636 20 30 CFEDHN C#CCCN1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000787270745 620384865 /nfs/dbraw/zinc/38/48/65/620384865.db2.gz HGTYTLUGIVEBLN-SNAWJCMRSA-N 0 3 288.822 2.994 20 30 CFEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000989720619 620387969 /nfs/dbraw/zinc/38/79/69/620387969.db2.gz YGYAQOVZYLFJLS-WMLDXEAASA-N 0 3 284.403 2.636 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000989841217 620394756 /nfs/dbraw/zinc/39/47/56/620394756.db2.gz DAGFJZDVQKGGRR-ZIAGYGMSSA-N 0 3 296.370 2.567 20 30 CFEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000989841215 620394769 /nfs/dbraw/zinc/39/47/69/620394769.db2.gz DAGFJZDVQKGGRR-KGLIPLIRSA-N 0 3 296.370 2.567 20 30 CFEDHN CC(C)=CC(=O)N1CCC(NCc2ccccc2C#N)CC1 ZINC000989893283 620398865 /nfs/dbraw/zinc/39/88/65/620398865.db2.gz WNXXWCGVNOPETC-UHFFFAOYSA-N 0 3 297.402 2.605 20 30 CFEDHN CC#CCN1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989920130 620402969 /nfs/dbraw/zinc/40/29/69/620402969.db2.gz ZHQVHZHZIAVFPI-SJLPKXTDSA-N 0 3 288.435 2.703 20 30 CFEDHN Cc1ccc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000057591280 620403165 /nfs/dbraw/zinc/40/31/65/620403165.db2.gz YDWUAIZRTMVSPE-UHFFFAOYSA-N 0 3 267.332 2.582 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3occc3C)CCC[C@H]12 ZINC000989951407 620405063 /nfs/dbraw/zinc/40/50/63/620405063.db2.gz NDABKIDBUIPPHF-XJKSGUPXSA-N 0 3 274.364 2.501 20 30 CFEDHN C=CCN1CC[C@@]2(NC(=O)c3ccoc3Cl)CCC[C@H]12 ZINC000990376348 620416390 /nfs/dbraw/zinc/41/63/90/620416390.db2.gz QBUTVKBADVTEBL-WFASDCNBSA-N 0 3 294.782 2.846 20 30 CFEDHN C[C@H](CC(C)(C)C#N)NCC(=O)N(C)Cc1ccccc1 ZINC000924719437 620453035 /nfs/dbraw/zinc/45/30/35/620453035.db2.gz VCGCHPWZSMVKHN-CQSZACIVSA-N 0 3 287.407 2.563 20 30 CFEDHN C=CCN1CC[C@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990905316 620925524 /nfs/dbraw/zinc/92/55/24/620925524.db2.gz FTQAWRWYJHTRLD-SJLPKXTDSA-N 0 3 299.418 2.611 20 30 CFEDHN C=CCCCN(CC)CN1CCC2(CCC2)C1=O ZINC000902668727 621148457 /nfs/dbraw/zinc/14/84/57/621148457.db2.gz FGQYLDZWBUKJFX-UHFFFAOYSA-N 0 3 250.386 2.635 20 30 CFEDHN Cc1nc2c(s1)[C@H](N(C)CCO[C@H](C)C#N)CCC2 ZINC000801932866 621160971 /nfs/dbraw/zinc/16/09/71/621160971.db2.gz ZXAOBGCZYBDGDA-ZWNOBZJWSA-N 0 3 279.409 2.689 20 30 CFEDHN C[C@@H](NC[C@H]1Cc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902733973 621161055 /nfs/dbraw/zinc/16/10/55/621161055.db2.gz RVUBZPGJKMHNLG-IUODEOHRSA-N 0 3 279.343 2.608 20 30 CFEDHN Cc1cc(OCc2cc(C#N)ccn2)c(C)c(C)n1 ZINC000902748756 621164256 /nfs/dbraw/zinc/16/42/56/621164256.db2.gz NSGOEYYAGJHFBH-UHFFFAOYSA-N 0 3 253.305 2.853 20 30 CFEDHN C[C@H](N[C@@H](Cn1ccnc1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759466 621166538 /nfs/dbraw/zinc/16/65/38/621166538.db2.gz YCRFJHRZNZAGJS-BBRMVZONSA-N 0 3 297.406 2.915 20 30 CFEDHN C[C@H](NC[C@@H](O)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902789230 621177206 /nfs/dbraw/zinc/17/72/06/621177206.db2.gz IEXGLCDIQUTYTH-BLLLJJGKSA-N 0 3 273.380 2.545 20 30 CFEDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C12CCC2 ZINC000902818186 621181202 /nfs/dbraw/zinc/18/12/02/621181202.db2.gz KTMHTSCYTLKCRQ-APHBMKBZSA-N 0 3 285.391 2.952 20 30 CFEDHN Cc1ncc(CCN[C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902882886 621198677 /nfs/dbraw/zinc/19/86/77/621198677.db2.gz XXAKPHRVIZLGDC-JTQLQIEISA-N 0 3 272.377 2.612 20 30 CFEDHN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H]1CCCO1 ZINC000902888235 621199884 /nfs/dbraw/zinc/19/98/84/621199884.db2.gz RCAVHLBENSOKTF-WHOFXGATSA-N 0 3 259.353 2.561 20 30 CFEDHN COCC[C@@H](Cc1ccco1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902950052 621212423 /nfs/dbraw/zinc/21/24/23/621212423.db2.gz DWCYXJGTZTUZPG-ZFWWWQNUSA-N 0 3 299.374 2.845 20 30 CFEDHN CC[C@H](NCc1cccn(CC)c1=O)c1cccc(C#N)c1 ZINC000902975524 621215633 /nfs/dbraw/zinc/21/56/33/621215633.db2.gz GUWPLFSBXSSUEA-KRWDZBQOSA-N 0 3 295.386 2.981 20 30 CFEDHN Cc1cccc(CCN[C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902975947 621215911 /nfs/dbraw/zinc/21/59/11/621215911.db2.gz LGAHSZXMZREPHX-ZDUSSCGKSA-N 0 3 266.348 2.550 20 30 CFEDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1cc(C#N)ccn1 ZINC000902995178 621217584 /nfs/dbraw/zinc/21/75/84/621217584.db2.gz WDQVGQWWWKKMMP-GDZNZVCISA-N 0 3 281.359 2.726 20 30 CFEDHN C#CCN(C(=O)Nc1ccc(C)c(C)c1)C1CCN(C)CC1 ZINC000902986257 621217677 /nfs/dbraw/zinc/21/76/77/621217677.db2.gz UTLDWSLFMKOVGU-UHFFFAOYSA-N 0 3 299.418 2.865 20 30 CFEDHN Cc1ncsc1CCN[C@H](C)c1cc(C#N)ccn1 ZINC000903008194 621228165 /nfs/dbraw/zinc/22/81/65/621228165.db2.gz LVPCLOSDDFVRON-SNVBAGLBSA-N 0 3 272.377 2.612 20 30 CFEDHN Cc1cccnc1CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903007733 621228410 /nfs/dbraw/zinc/22/84/10/621228410.db2.gz GRHBORPSZIYUOV-ZDUSSCGKSA-N 0 3 266.348 2.550 20 30 CFEDHN N#CC1(CCN2CC[C@H](Nc3ncccn3)C2)CCCCC1 ZINC000903023676 621234055 /nfs/dbraw/zinc/23/40/55/621234055.db2.gz PMLRIBQMGLRKKX-HNNXBMFYSA-N 0 3 299.422 2.827 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](Nc2ncccn2)C1 ZINC000903027713 621234854 /nfs/dbraw/zinc/23/48/54/621234854.db2.gz VZXVCGXILPXTRA-CZUORRHYSA-N 0 3 293.374 2.596 20 30 CFEDHN CCSC1(CN[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903054616 621235213 /nfs/dbraw/zinc/23/52/13/621235213.db2.gz NBPAYQSEXLPNCY-LLVKDONJSA-N 0 3 261.394 2.890 20 30 CFEDHN CC[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1cccc(C#N)c1 ZINC000903073634 621250929 /nfs/dbraw/zinc/25/09/29/621250929.db2.gz RJRRBKOLGPUYPV-SJORKVTESA-N 0 3 297.402 2.752 20 30 CFEDHN CC[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1cccc(C#N)c1 ZINC000903073631 621251212 /nfs/dbraw/zinc/25/12/12/621251212.db2.gz RJRRBKOLGPUYPV-IRXDYDNUSA-N 0 3 297.402 2.752 20 30 CFEDHN CC1(C)[C@H](NCC2(C#N)CCCC2)[C@H]2CCCO[C@H]21 ZINC000903109263 621256812 /nfs/dbraw/zinc/25/68/12/621256812.db2.gz LRHZPHYJDREINY-MGPQQGTHSA-N 0 3 262.397 2.864 20 30 CFEDHN COC[C@@H](NCC1(C#N)CCCC1)C1CCCC1 ZINC000903110040 621256819 /nfs/dbraw/zinc/25/68/19/621256819.db2.gz ZGJRBEVYIIVXOS-CQSZACIVSA-N 0 3 250.386 2.865 20 30 CFEDHN C[C@H](N[C@H](CO)CCc1ccccc1)c1cc(C#N)ccn1 ZINC000903288103 621319014 /nfs/dbraw/zinc/31/90/14/621319014.db2.gz JPDLAAHCOSMLGG-YOEHRIQHSA-N 0 3 295.386 2.598 20 30 CFEDHN C=CCC[C@@H](NCc1cn(C)cn1)[C@@]1(C)CCCCO1 ZINC000903351349 621343197 /nfs/dbraw/zinc/34/31/97/621343197.db2.gz JXJMYMHDRKCZKN-HZPDHXFCSA-N 0 3 277.412 2.804 20 30 CFEDHN C=CCNCc1cc(-c2cn(C)nc2C)ccc1F ZINC000904787149 621640255 /nfs/dbraw/zinc/64/02/55/621640255.db2.gz IEVQFYBIALENKM-UHFFFAOYSA-N 0 3 259.328 2.810 20 30 CFEDHN N#Cc1sccc1-c1cccc([C@H]2CNCCO2)c1 ZINC000904895490 621673584 /nfs/dbraw/zinc/67/35/84/621673584.db2.gz PQWKBBMTAUANFJ-CQSZACIVSA-N 0 3 270.357 2.948 20 30 CFEDHN CC1/C(=C/c2ccc3c(c2)CC(C)(C)O3)C(=O)c2ncnn21 ZINC000905080227 621691135 /nfs/dbraw/zinc/69/11/35/621691135.db2.gz JIKNPKBVIKDUPD-BNDQCTAISA-N 0 3 295.342 2.833 20 30 CFEDHN Cc1cc(C#N)cc(C)c1/C=C1/C(=O)c2ncnn2C1C ZINC000905083889 621692153 /nfs/dbraw/zinc/69/21/53/621692153.db2.gz HEODZDVUYODMRQ-REPOHMLUSA-N 0 3 278.315 2.608 20 30 CFEDHN C=CC[C@@H](NC[C@@](O)(CC)C(F)(F)F)c1ccncc1 ZINC000905122451 621703853 /nfs/dbraw/zinc/70/38/53/621703853.db2.gz ZHSRULJBNRGHNG-OLZOCXBDSA-N 0 3 288.313 2.992 20 30 CFEDHN Cc1ccc(-c2cnc([C@H]3CCCN3)nc2)c(C#N)c1 ZINC000906163778 621951031 /nfs/dbraw/zinc/95/10/31/621951031.db2.gz HCVHDZPBXTUHGF-OAHLLOKOSA-N 0 3 264.332 2.748 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn(C2CC2)nn1 ZINC000906313969 621972757 /nfs/dbraw/zinc/97/27/57/621972757.db2.gz OIXKFDPVMBONEL-WFASDCNBSA-N 0 3 260.385 2.838 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1cc2ccccc2cc1F ZINC000908435683 622230048 /nfs/dbraw/zinc/23/00/48/622230048.db2.gz ARCCEVGKRJABBV-UHFFFAOYSA-N 0 3 298.361 2.664 20 30 CFEDHN C#CCN(C)CCCNC(=O)CC[C@H]1CCc2ccccc21 ZINC000908437982 622230574 /nfs/dbraw/zinc/23/05/74/622230574.db2.gz WEJUNYFRZFSRPK-QGZVFWFLSA-N 0 3 298.430 2.568 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819730319 622549108 /nfs/dbraw/zinc/54/91/08/622549108.db2.gz VPSJEMCBKNZDRR-VXGBXAGGSA-N 0 3 271.368 2.557 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819730319 622549110 /nfs/dbraw/zinc/54/91/10/622549110.db2.gz VPSJEMCBKNZDRR-VXGBXAGGSA-N 0 3 271.368 2.557 20 30 CFEDHN Cc1ccc(N=NC2CCN(CCO)CC2)c(Cl)c1 ZINC000819813693 622561862 /nfs/dbraw/zinc/56/18/62/622561862.db2.gz QUFQCRJUOGPSGI-UHFFFAOYSA-N 0 3 281.787 2.504 20 30 CFEDHN C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)n1cccn1 ZINC000819952361 622582179 /nfs/dbraw/zinc/58/21/79/622582179.db2.gz QTFKGHBDRACMFO-NEPJUHHUSA-N 0 3 294.314 2.852 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(CCCCC)s1 ZINC000911979723 622594827 /nfs/dbraw/zinc/59/48/27/622594827.db2.gz IUYZKPGGEUDSLQ-NSHDSACASA-N 0 3 296.440 2.893 20 30 CFEDHN C=CCCC[C@H](N)C(=O)Nc1nnc(CCCC)s1 ZINC000911972144 622601326 /nfs/dbraw/zinc/60/13/26/622601326.db2.gz PUBOTKKPUGPCIF-JTQLQIEISA-N 0 3 282.413 2.503 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCCCSc1ccccc1 ZINC000912006805 622607454 /nfs/dbraw/zinc/60/74/54/622607454.db2.gz CNABRAPXVNTBKC-OAHLLOKOSA-N 0 3 292.448 2.969 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000912053178 622619982 /nfs/dbraw/zinc/61/99/82/622619982.db2.gz BSDVLVCAIMYCOY-YGRLFVJLSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000912053995 622620936 /nfs/dbraw/zinc/62/09/36/622620936.db2.gz KBVGBKBGJBMXBJ-YGRLFVJLSA-N 0 3 282.334 2.826 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N[C@H](C)c1cc(C)ccc1OC ZINC000912114372 622630681 /nfs/dbraw/zinc/63/06/81/622630681.db2.gz IEZBAGVAGPJYQZ-HIFRSBDPSA-N 0 3 290.407 2.864 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)[C@H]1CCc2ccccc21 ZINC000912205980 622661052 /nfs/dbraw/zinc/66/10/52/622661052.db2.gz CEIIQJMXNMCTMP-CVEARBPZSA-N 0 3 272.392 2.816 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)N(C)CC1CCCCC1 ZINC000912229645 622664937 /nfs/dbraw/zinc/66/49/37/622664937.db2.gz HSUMGNMWVJSBDI-CQSZACIVSA-N 0 3 252.402 2.709 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(F)c(C)c1 ZINC000912258398 622667631 /nfs/dbraw/zinc/66/76/31/622667631.db2.gz UOLBWVPGVIVBGH-CYBMUJFWSA-N 0 3 250.317 2.756 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(OC)cc1C ZINC000912282308 622674577 /nfs/dbraw/zinc/67/45/77/622674577.db2.gz BMSRXKKDUVYVGB-CYBMUJFWSA-N 0 3 262.353 2.626 20 30 CFEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H]1CC(C)C ZINC000912393209 622703598 /nfs/dbraw/zinc/70/35/98/622703598.db2.gz HXXRYHIOLMTAKF-KBPBESRZSA-N 0 3 252.402 2.707 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000912441544 622711688 /nfs/dbraw/zinc/71/16/88/622711688.db2.gz XASVIRNZMCMFSW-GFCCVEGCSA-N 0 3 284.306 2.596 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000912450239 622719268 /nfs/dbraw/zinc/71/92/68/622719268.db2.gz ZVKLSDUSZJCPQM-CQSZACIVSA-N 0 3 289.379 2.576 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)NCc1ccc(Cl)s1 ZINC000912495915 622721602 /nfs/dbraw/zinc/72/16/02/622721602.db2.gz PACWVOXWHNVKNV-SNVBAGLBSA-N 0 3 272.801 2.701 20 30 CFEDHN C=CCCC[C@@H](N)C(=O)Nc1ccc(C)c(OC)c1C ZINC000912482075 622727490 /nfs/dbraw/zinc/72/74/90/622727490.db2.gz HIULEDAVEDMPJS-CYBMUJFWSA-N 0 3 276.380 2.934 20 30 CFEDHN C=C(C)COCCN[C@H]1CCc2ccc(Cl)nc21 ZINC000820825105 622767834 /nfs/dbraw/zinc/76/78/34/622767834.db2.gz XVAAPXNPYBEDHQ-LBPRGKRZSA-N 0 3 266.772 2.905 20 30 CFEDHN 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/nfs/dbraw/zinc/19/11/77/626191177.db2.gz ZUFBYMKZVAOPPQ-NXEZZACHSA-N 0 3 297.196 2.570 20 30 CFEDHN Cc1ccc(C[C@@H](CO)NCc2csc(C#N)c2)cc1 ZINC000922044571 626199710 /nfs/dbraw/zinc/19/97/10/626199710.db2.gz VIEBWBGYWILTLK-HNNXBMFYSA-N 0 3 286.400 2.621 20 30 CFEDHN N#Cc1cc(CN[C@H]2Cc3cccc(O)c3C2)cs1 ZINC000922058817 626202257 /nfs/dbraw/zinc/20/22/57/626202257.db2.gz BEEPYXKKYFQCNF-LBPRGKRZSA-N 0 3 270.357 2.582 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016357474 626211601 /nfs/dbraw/zinc/21/16/01/626211601.db2.gz RIAFRGFSNLDRQB-LSDHHAIUSA-N 0 3 278.440 2.969 20 30 CFEDHN CC1(C)CC[C@@H](CNCc2csc(C#N)c2)OC1 ZINC000922331238 626271932 /nfs/dbraw/zinc/27/19/32/626271932.db2.gz SYZLIHAVUCLKBR-LBPRGKRZSA-N 0 3 264.394 2.915 20 30 CFEDHN C=CCCn1cc(CNC[C@@]23C[C@@H]2CCCC3)nn1 ZINC000922427972 626287473 /nfs/dbraw/zinc/28/74/73/626287473.db2.gz VXDGMTLSFQCNEM-DZGCQCFKSA-N 0 3 260.385 2.524 20 30 CFEDHN C=C(Cl)CN1CCC[C@@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004311177 626343708 /nfs/dbraw/zinc/34/37/08/626343708.db2.gz HEXPZOPIJFWJIL-OAHLLOKOSA-N 0 3 296.842 2.852 20 30 CFEDHN N#CC(C(=O)CCC(=O)c1ccccc1)c1ccccn1 ZINC000073971822 626401374 /nfs/dbraw/zinc/40/13/74/626401374.db2.gz HHOVTPHTBRNBLQ-CQSZACIVSA-N 0 3 278.311 2.921 20 30 CFEDHN C=C(C)CN1CCC(N(C)C(=O)c2ccsc2)CC1 ZINC001005092152 626410028 /nfs/dbraw/zinc/41/00/28/626410028.db2.gz TWCPPTPWXYZNIA-UHFFFAOYSA-N 0 3 278.421 2.861 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2cc(F)ccc2F)CC1 ZINC001005510192 626416124 /nfs/dbraw/zinc/41/61/24/626416124.db2.gz JTEZGVQPTMJHLQ-UHFFFAOYSA-N 0 3 294.345 2.687 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001005579014 626418014 /nfs/dbraw/zinc/41/80/14/626418014.db2.gz IRGIULUEQHHODO-OAHLLOKOSA-N 0 3 276.424 2.842 20 30 CFEDHN C#CCC1(NCc2cn(C)nc2Cl)CCCCC1 ZINC000922982101 626439169 /nfs/dbraw/zinc/43/91/69/626439169.db2.gz WHHHYSQAVUNSTL-UHFFFAOYSA-N 0 3 265.788 2.889 20 30 CFEDHN C=CCN(CCC(OC)OC)Cc1cccc(C#N)c1 ZINC000851738324 634503014 /nfs/dbraw/zinc/50/30/14/634503014.db2.gz DIBSGEPCARZVIY-UHFFFAOYSA-N 0 3 274.364 2.555 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)c2ccn(CC)c2C)CC1 ZINC001005866081 626442549 /nfs/dbraw/zinc/44/25/49/626442549.db2.gz PDFALVWYBRZCCQ-UHFFFAOYSA-N 0 3 289.423 2.539 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)CC2CC(C)(C)C2)CC1 ZINC001005870796 626443969 /nfs/dbraw/zinc/44/39/69/626443969.db2.gz VBXPNBCXMABZKH-UHFFFAOYSA-N 0 3 278.440 2.922 20 30 CFEDHN C#CCN(C(=O)NCC[C@H](C)CCC)C1CCN(C)CC1 ZINC000923995885 626454058 /nfs/dbraw/zinc/45/40/58/626454058.db2.gz BZGXVKUPJHDGEM-OAHLLOKOSA-N 0 3 293.455 2.552 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H](C)c2cccs2)CC1 ZINC001005983959 626457343 /nfs/dbraw/zinc/45/73/43/626457343.db2.gz YSDCCGZSMQDJDX-CYBMUJFWSA-N 0 3 292.448 2.960 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001006081275 626473270 /nfs/dbraw/zinc/47/32/70/626473270.db2.gz CPEKEQWSQAWZGV-KBPBESRZSA-N 0 3 264.413 2.531 20 30 CFEDHN C=C(Cl)CN1C[C@@H](C[C@H]2COCCN2)c2ccccc21 ZINC000923541332 626479294 /nfs/dbraw/zinc/47/92/94/626479294.db2.gz RMDILRXXKLKQHG-KGLIPLIRSA-N 0 3 292.810 2.721 20 30 CFEDHN C=CCN1CCC(N(C)C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001006216515 626480561 /nfs/dbraw/zinc/48/05/61/626480561.db2.gz AZCTXINSGMYBHE-ZBFHGGJFSA-N 0 3 264.413 2.531 20 30 CFEDHN CN(C)CCN(Cc1ccsc1)C(=O)C#CC(C)(C)C ZINC000838186317 626489314 /nfs/dbraw/zinc/48/93/14/626489314.db2.gz MUHLBVCTLBYMJG-UHFFFAOYSA-N 0 3 292.448 2.688 20 30 CFEDHN C#C[C@@H](NC(=O)N(CCC)CCN1CCCCC1)C(C)C ZINC000838597910 626501872 /nfs/dbraw/zinc/50/18/72/626501872.db2.gz IUTCKQQAJQRLLS-MRXNPFEDSA-N 0 3 293.455 2.552 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1c(C)cccc1CC ZINC000838624101 626502084 /nfs/dbraw/zinc/50/20/84/626502084.db2.gz HBZDSUNWNLOAEN-UHFFFAOYSA-N 0 3 287.407 2.634 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccccc1CCC ZINC000838624358 626502175 /nfs/dbraw/zinc/50/21/75/626502175.db2.gz TWZWQALXYANYBI-UHFFFAOYSA-N 0 3 287.407 2.716 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C(C)C)cc1 ZINC000838624356 626502211 /nfs/dbraw/zinc/50/22/11/626502211.db2.gz TUQVRAJFAPDNFQ-UHFFFAOYSA-N 0 3 287.407 2.887 20 30 CFEDHN C[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000838788484 626506793 /nfs/dbraw/zinc/50/67/93/626506793.db2.gz VEKLMDYRTOEGQL-MWLCHTKSSA-N 0 3 298.264 2.922 20 30 CFEDHN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NCCC#N ZINC000839062837 626522605 /nfs/dbraw/zinc/52/26/05/626522605.db2.gz GPRYFBLPAGDKCD-OLZOCXBDSA-N 0 3 281.400 2.525 20 30 CFEDHN C#CCC[C@H](C)OC(=O)c1cccc(CN(C)C)c1 ZINC000839042863 626523438 /nfs/dbraw/zinc/52/34/38/626523438.db2.gz ZBZSNVRHNRIUHD-ZDUSSCGKSA-N 0 3 259.349 2.707 20 30 CFEDHN COCOc1ccc(OC)cc1CNCC(C)(C)CC#N ZINC000839163878 626531536 /nfs/dbraw/zinc/53/15/36/626531536.db2.gz UVFUPAAJIMDZTE-UHFFFAOYSA-N 0 3 292.379 2.707 20 30 CFEDHN C=CCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839199872 626532000 /nfs/dbraw/zinc/53/20/00/626532000.db2.gz DJFZHXZFTHHVLF-UHFFFAOYSA-N 0 3 252.745 2.764 20 30 CFEDHN C#CCCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839202675 626532282 /nfs/dbraw/zinc/53/22/82/626532282.db2.gz MEEDEVKAOCWHIR-UHFFFAOYSA-N 0 3 264.756 2.602 20 30 CFEDHN C#CC[C@@H](NCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000756994994 626543238 /nfs/dbraw/zinc/54/32/38/626543238.db2.gz AYRLBZURBLSFEN-QGZVFWFLSA-N 0 3 278.355 2.640 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H](C)OCCCCCC)CC1 ZINC000839661415 626550129 /nfs/dbraw/zinc/55/01/29/626550129.db2.gz BECJQWIWSSRFMX-OAHLLOKOSA-N 0 3 296.455 2.738 20 30 CFEDHN CC1(C)OCC(N[C@H]2CCCc3cc(C#N)ccc32)CO1 ZINC000757706596 626559912 /nfs/dbraw/zinc/55/99/12/626559912.db2.gz XFDXBRABFDJXFN-INIZCTEOSA-N 0 3 286.375 2.677 20 30 CFEDHN Cn1c(Cl)c(Cl)cc1C(=O)C(C#N)c1ccncn1 ZINC000760342981 626736926 /nfs/dbraw/zinc/73/69/26/626736926.db2.gz ARRMDYLMRCYIOA-ZETCQYMHSA-N 0 3 295.129 2.612 20 30 CFEDHN N#CC(C(=O)C=CC1CCCCC1)c1ccncn1 ZINC000760356089 626739409 /nfs/dbraw/zinc/73/94/09/626739409.db2.gz FHWBVPMQZRCNHS-FMFIFOJESA-N 0 3 255.321 2.789 20 30 CFEDHN C[C@@H](C[C@H](O)c1ccco1)NCc1ccc(C#N)cc1F ZINC000763525201 626995077 /nfs/dbraw/zinc/99/50/77/626995077.db2.gz UGCYTYHKYMCMDI-NHYWBVRUSA-N 0 3 288.322 2.892 20 30 CFEDHN C#CCN(CCOc1ccc(OCC)cc1)C1CC1 ZINC000763950453 627024915 /nfs/dbraw/zinc/02/49/15/627024915.db2.gz VVJZORSRVCPSIO-UHFFFAOYSA-N 0 3 259.349 2.562 20 30 CFEDHN CCCCCCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC000766270459 627189541 /nfs/dbraw/zinc/18/95/41/627189541.db2.gz JHGGSEULQAOKHR-CQSZACIVSA-N 0 3 252.402 2.654 20 30 CFEDHN C#CCCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000766895784 627225367 /nfs/dbraw/zinc/22/53/67/627225367.db2.gz HQWVBZCOLVXKJG-UHFFFAOYSA-N 0 3 276.811 2.871 20 30 CFEDHN C#CCC(C)(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000767071358 627233559 /nfs/dbraw/zinc/23/35/59/627233559.db2.gz IMSDQYZOUKDVLN-WBVHZDCISA-N 0 3 298.430 2.988 20 30 CFEDHN N#Cc1cccc(OC2CCN(CCC(=O)C3CC3)CC2)c1 ZINC000767370931 627245964 /nfs/dbraw/zinc/24/59/64/627245964.db2.gz QFGCLLAUHZNALS-UHFFFAOYSA-N 0 3 298.386 2.771 20 30 CFEDHN CCN(CCc1ccccn1)Cc1ccc(C#N)o1 ZINC000769032633 627397782 /nfs/dbraw/zinc/39/77/82/627397782.db2.gz DWPFGRLURAKFSR-UHFFFAOYSA-N 0 3 255.321 2.611 20 30 CFEDHN C#CCN(Cc1n[nH]c2ccccc21)C1CCCC1 ZINC000769529626 627452052 /nfs/dbraw/zinc/45/20/52/627452052.db2.gz CZPYDIPCKCHWSM-UHFFFAOYSA-N 0 3 253.349 2.941 20 30 CFEDHN C#CCN(Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000769529626 627452057 /nfs/dbraw/zinc/45/20/57/627452057.db2.gz CZPYDIPCKCHWSM-UHFFFAOYSA-N 0 3 253.349 2.941 20 30 CFEDHN N#CCC[C@@H](NC[C@H](O)c1ccccn1)c1ccccc1 ZINC000851904767 634582047 /nfs/dbraw/zinc/58/20/47/634582047.db2.gz BAPOJTLBIQVJTK-WBVHZDCISA-N 0 3 281.359 2.750 20 30 CFEDHN N#CCC[C@H](NC[C@H](O)c1ccccn1)c1ccccc1 ZINC000851904766 634582634 /nfs/dbraw/zinc/58/26/34/634582634.db2.gz BAPOJTLBIQVJTK-RDJZCZTQSA-N 0 3 281.359 2.750 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@@H]2COCC[C@@H]21 ZINC000770287464 627511377 /nfs/dbraw/zinc/51/13/77/627511377.db2.gz XLRWUNBMPUIQAB-SJORKVTESA-N 0 3 285.387 2.700 20 30 CFEDHN C[C@H](C#N)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000771106061 627577873 /nfs/dbraw/zinc/57/78/73/627577873.db2.gz AURJYQRZGZXNRC-HIFRSBDPSA-N 0 3 262.401 2.520 20 30 CFEDHN C[C@@H](C#N)CNN=C1CCCC[C@@H]1N1CCCCC1 ZINC000771106063 627578193 /nfs/dbraw/zinc/57/81/93/627578193.db2.gz AURJYQRZGZXNRC-ZFWWWQNUSA-N 0 3 262.401 2.520 20 30 CFEDHN N#CC(C(=O)CCCC(F)(F)F)c1ccccn1 ZINC000771257897 627588602 /nfs/dbraw/zinc/58/86/02/627588602.db2.gz GJRYZMMJTGPKBU-VIFPVBQESA-N 0 3 256.227 2.990 20 30 CFEDHN C#CCOCCN1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000851918781 634587844 /nfs/dbraw/zinc/58/78/44/634587844.db2.gz DFCHXGLXIRPZIV-KGLIPLIRSA-N 0 3 273.376 2.653 20 30 CFEDHN C#CCCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772332031 627702905 /nfs/dbraw/zinc/70/29/05/627702905.db2.gz ORWISARZZRZAGW-KGLIPLIRSA-N 0 3 280.412 2.730 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2ccco2)cc1 ZINC000772644414 627730384 /nfs/dbraw/zinc/73/03/84/627730384.db2.gz IIELHRFEGFKRRB-HNNXBMFYSA-N 0 3 296.326 2.732 20 30 CFEDHN Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccco3)nc21 ZINC000772667300 627733199 /nfs/dbraw/zinc/73/31/99/627733199.db2.gz SBJFNSGWBVCEPC-GFCCVEGCSA-N 0 3 279.299 2.883 20 30 CFEDHN Cc1cccc2nc(C(C#N)C(=O)Cc3ccco3)[nH]c21 ZINC000772667300 627733204 /nfs/dbraw/zinc/73/32/04/627733204.db2.gz SBJFNSGWBVCEPC-GFCCVEGCSA-N 0 3 279.299 2.883 20 30 CFEDHN C#C[C@@H](NCCc1nsc2ccccc12)[C@@H]1CCCO1 ZINC000851951267 634605153 /nfs/dbraw/zinc/60/51/53/634605153.db2.gz WSDZFLSDZPZSMQ-HIFRSBDPSA-N 0 3 286.400 2.609 20 30 CFEDHN C=C(CC)CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000773427283 627817440 /nfs/dbraw/zinc/81/74/40/627817440.db2.gz JRSKHRARFUEKMF-UHFFFAOYSA-N 0 3 268.401 2.753 20 30 CFEDHN C#C[C@H](NCCc1nsc2ccccc12)[C@H]1CCCO1 ZINC000851951265 634605685 /nfs/dbraw/zinc/60/56/85/634605685.db2.gz WSDZFLSDZPZSMQ-DZGCQCFKSA-N 0 3 286.400 2.609 20 30 CFEDHN C=C(C)CN1CCC(NC(=S)NC(C)(C)CC)CC1 ZINC000774176221 627898704 /nfs/dbraw/zinc/89/87/04/627898704.db2.gz LJBIBWAQUZCHMD-UHFFFAOYSA-N 0 3 283.485 2.680 20 30 CFEDHN CC[C@H](NC1COC(C)(C)OC1)c1ccc(C#N)cc1 ZINC000774347854 627917477 /nfs/dbraw/zinc/91/74/77/627917477.db2.gz LGGBAPQRBAONBV-HNNXBMFYSA-N 0 3 274.364 2.750 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000774825555 627967648 /nfs/dbraw/zinc/96/76/48/627967648.db2.gz DOIBLMLPXXAQAO-JTQLQIEISA-N 0 3 284.743 2.522 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@H]1CCC(=O)O1 ZINC000851997757 634620910 /nfs/dbraw/zinc/62/09/10/634620910.db2.gz OLMVNIMHIVOMBH-OAHLLOKOSA-N 0 3 259.349 2.770 20 30 CFEDHN C#CCNC(=O)CN[C@H](CCCCC)c1ccccc1 ZINC000775320938 628009162 /nfs/dbraw/zinc/00/91/62/628009162.db2.gz YBORKCFLNATHFQ-MRXNPFEDSA-N 0 3 272.392 2.647 20 30 CFEDHN C=C(C)[C@@H](N[C@H](C)CCO)c1ccc(F)c(F)c1 ZINC000775558716 628037126 /nfs/dbraw/zinc/03/71/26/628037126.db2.gz QOMLNFZVXPRBJA-QMTHXVAHSA-N 0 3 255.308 2.943 20 30 CFEDHN C#C[C@@H](NC1CC(c2ccc(F)cc2)C1)[C@@H]1CCCO1 ZINC000775572229 628040679 /nfs/dbraw/zinc/04/06/79/628040679.db2.gz PTIQWEPQNCJLRR-BNICSPFPSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H]([NH2+][C@H](CC)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000775572406 628040773 /nfs/dbraw/zinc/04/07/73/628040773.db2.gz RRDOJTJTPADFCL-YCPHGPKFSA-N 0 3 259.349 2.614 20 30 CFEDHN C#C[C@@H](NC1CC(c2ccc(F)cc2)C1)[C@H]1CCCO1 ZINC000775572232 628040786 /nfs/dbraw/zinc/04/07/86/628040786.db2.gz PTIQWEPQNCJLRR-OKEQZYBDSA-N 0 3 273.351 2.842 20 30 CFEDHN C#C[C@H](N[C@@H](C)c1ccc(-n2ccnc2)cc1)[C@H]1CCCO1 ZINC000775575352 628042238 /nfs/dbraw/zinc/04/22/38/628042238.db2.gz WAKYZHLJGKCGTC-JCGIZDLHSA-N 0 3 295.386 2.704 20 30 CFEDHN C#CCN(Cc1ccc(OC)cn1)C1CCCCC1 ZINC000775951369 628087968 /nfs/dbraw/zinc/08/79/68/628087968.db2.gz JYGGOCGFSSKXQV-UHFFFAOYSA-N 0 3 258.365 2.858 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984930 628091523 /nfs/dbraw/zinc/09/15/23/628091523.db2.gz IGXILEMAPYTXEK-SOUVJXGZSA-N 0 3 287.407 2.502 20 30 CFEDHN N#CCCNC(=O)CN[C@H](c1ccccc1)C1CCCCC1 ZINC000776005670 628092990 /nfs/dbraw/zinc/09/29/90/628092990.db2.gz IKPBUYJXVJYTBJ-GOSISDBHSA-N 0 3 299.418 2.927 20 30 CFEDHN CN(C)c1ccncc1C=[NH+][N-]c1cccc(F)c1 ZINC000776180870 628112858 /nfs/dbraw/zinc/11/28/58/628112858.db2.gz RZBUDBUJLRFSBW-UHFFFAOYSA-N 0 3 258.300 2.733 20 30 CFEDHN C#CCN(CCCC(=O)NCC(C)C)Cc1ccccc1 ZINC000852043872 634634503 /nfs/dbraw/zinc/63/45/03/634634503.db2.gz BMFRFFMVAKMMQR-UHFFFAOYSA-N 0 3 286.419 2.674 20 30 CFEDHN C#CCOCCN(C)[C@H](CC)c1ccccc1OC ZINC000852053111 634637803 /nfs/dbraw/zinc/63/78/03/634637803.db2.gz ZRBKRPTUBAFARW-OAHLLOKOSA-N 0 3 261.365 2.728 20 30 CFEDHN C#CCOc1cccc(Cl)c1CN[C@H](CC)CCO ZINC000778168800 628282834 /nfs/dbraw/zinc/28/28/34/628282834.db2.gz JJJDRNZUCXCYID-GFCCVEGCSA-N 0 3 281.783 2.603 20 30 CFEDHN C#CCOc1cccc(Cl)c1CNCC[C@@H]1CCOC1 ZINC000778176666 628284156 /nfs/dbraw/zinc/28/41/56/628284156.db2.gz JRQYFNKMGFWXIT-CYBMUJFWSA-N 0 3 293.794 2.868 20 30 CFEDHN N#Cc1ccc(C(=O)OCCN2CCCCC2)cc1Cl ZINC000778539673 628313602 /nfs/dbraw/zinc/31/36/02/628313602.db2.gz ZZDGHGJWSAFRSG-UHFFFAOYSA-N 0 3 292.766 2.854 20 30 CFEDHN CN(C1CCCC1)C(C)(C)C(=O)OCC1(CC#N)CC1 ZINC000778654253 628322778 /nfs/dbraw/zinc/32/27/78/628322778.db2.gz KTOJVTFQTININO-UHFFFAOYSA-N 0 3 278.396 2.876 20 30 CFEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000852098391 634652062 /nfs/dbraw/zinc/65/20/62/634652062.db2.gz LQDOPTUZOGVKRS-YOEHRIQHSA-N 0 3 276.424 2.773 20 30 CFEDHN C#C[C@](C)(CC)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000852100229 634654497 /nfs/dbraw/zinc/65/44/97/634654497.db2.gz GFLFGLFGOFWMEB-SJLPKXTDSA-N 0 3 284.403 2.569 20 30 CFEDHN C#Cc1cccc(N(C)C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000780593496 628480762 /nfs/dbraw/zinc/48/07/62/628480762.db2.gz UISRVRSQLMFWOC-QLFBSQMISA-N 0 3 284.403 2.892 20 30 CFEDHN CCC#C[C@@H](C)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000781914202 628590811 /nfs/dbraw/zinc/59/08/11/628590811.db2.gz TUEZUZGYRQZUPV-OLZOCXBDSA-N 0 3 294.420 2.511 20 30 CFEDHN C[C@@H](CSC(C)(C)C)NCc1ccc(C#N)cn1 ZINC000783294875 628698306 /nfs/dbraw/zinc/69/83/06/628698306.db2.gz XNMSWCRBGFKTIT-NSHDSACASA-N 0 3 263.410 2.963 20 30 CFEDHN N#Cc1ccc(CNC2CC(c3ccccc3)C2)nc1 ZINC000783299481 628698856 /nfs/dbraw/zinc/69/88/56/628698856.db2.gz CSIXMIQSHITNMS-UHFFFAOYSA-N 0 3 263.344 2.989 20 30 CFEDHN C=CCOCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783663934 628732048 /nfs/dbraw/zinc/73/20/48/628732048.db2.gz GRUUIHPOVHAHCR-UHFFFAOYSA-N 0 3 270.716 2.540 20 30 CFEDHN COC(=O)CC(C)(C)NCc1ccc(C#N)cc1Cl ZINC000784340397 628807248 /nfs/dbraw/zinc/80/72/48/628807248.db2.gz YELLTVGHBCBIFE-UHFFFAOYSA-N 0 3 280.755 2.643 20 30 CFEDHN Cc1cc(C(C#N)C(=O)C=Cc2cnccc2C)nc(C)n1 ZINC000784834967 628844324 /nfs/dbraw/zinc/84/43/24/628844324.db2.gz WXJXRSAPBNGKCA-FOSCPCJNSA-N 0 3 292.342 2.687 20 30 CFEDHN C=C(CC)CN1CCCC[C@H]1COC(=O)NCCC ZINC000805775671 628876894 /nfs/dbraw/zinc/87/68/94/628876894.db2.gz HTOVVYLMYRTODS-AWEZNQCLSA-N 0 3 268.401 2.943 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnn2ccccc12 ZINC000785614028 628898386 /nfs/dbraw/zinc/89/83/86/628898386.db2.gz HTECONOCUVBTET-KRWDZBQOSA-N 0 3 288.354 2.983 20 30 CFEDHN C=CCCN(C)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000786437536 628956652 /nfs/dbraw/zinc/95/66/52/628956652.db2.gz ROPLMUFYXDHQDC-HNNXBMFYSA-N 0 3 258.365 2.608 20 30 CFEDHN C#CCCCCC(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000786552774 628968143 /nfs/dbraw/zinc/96/81/43/628968143.db2.gz QEYXYHPFMQQKFN-INIZCTEOSA-N 0 3 296.370 2.514 20 30 CFEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1ccsc1C ZINC000786927077 628985014 /nfs/dbraw/zinc/98/50/14/628985014.db2.gz CUBRQZNDTNRABB-ZDUSSCGKSA-N 0 3 292.404 2.614 20 30 CFEDHN C=C[C@H]1CCCCN1Cc1cc2c(cc1O)OCO2 ZINC000787309573 629006186 /nfs/dbraw/zinc/00/61/86/629006186.db2.gz JITHJDWZVZELOI-LBPRGKRZSA-N 0 3 261.321 2.661 20 30 CFEDHN C#CCC1(C(=O)NC[C@@H](C)N2CCCCC2)CCCCC1 ZINC000788172277 629048457 /nfs/dbraw/zinc/04/84/57/629048457.db2.gz OTGKXXRRSNGNKZ-MRXNPFEDSA-N 0 3 290.451 2.951 20 30 CFEDHN CC(=NN[C@H](CO)c1ccccc1)c1ccccc1N(C)C ZINC000788458023 629070461 /nfs/dbraw/zinc/07/04/61/629070461.db2.gz SBVRMNDASWMAQL-QGZVFWFLSA-N 0 3 297.402 2.800 20 30 CFEDHN COc1cc([C@H](C)NCc2ccc(OCC#N)cc2)ccn1 ZINC000788646206 629088915 /nfs/dbraw/zinc/08/89/15/629088915.db2.gz JYTSHKNGKFXMIJ-ZDUSSCGKSA-N 0 3 297.358 2.843 20 30 CFEDHN Cn1cc[nH+]c1[N-]N=Cc1ccc(F)cc1Cl ZINC000790301538 629228430 /nfs/dbraw/zinc/22/84/30/629228430.db2.gz FZNGVLDVVLCWQD-UHFFFAOYSA-N 0 3 252.680 2.659 20 30 CFEDHN N#CC[C@@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000852319547 634718816 /nfs/dbraw/zinc/71/88/16/634718816.db2.gz OPIZQTZCPAQDQE-ZDUSSCGKSA-N 0 3 262.328 2.830 20 30 CFEDHN N#CC(C(=O)CCCC(=O)C1CC1)c1nc2ccccc2[nH]1 ZINC000835034981 629328220 /nfs/dbraw/zinc/32/82/20/629328220.db2.gz DCLIITXDRIKCTQ-LBPRGKRZSA-N 0 3 295.342 2.889 20 30 CFEDHN C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000791584566 629337283 /nfs/dbraw/zinc/33/72/83/629337283.db2.gz PCFAYBWKAWQGDK-HONMWMINSA-N 0 3 298.308 2.864 20 30 CFEDHN C=CCN(C[C@@H](O)c1ccc(Cl)cc1)[C@@H](C)COC ZINC000852356857 634730755 /nfs/dbraw/zinc/73/07/55/634730755.db2.gz QCLLYIXMOJYNHE-SWLSCSKDSA-N 0 3 283.799 2.896 20 30 CFEDHN C=CCN(C[C@@H](O)c1cccc(Cl)c1)[C@@H](C)COC ZINC000852358514 634732499 /nfs/dbraw/zinc/73/24/99/634732499.db2.gz VBLOFKWGWNMWTF-SWLSCSKDSA-N 0 3 283.799 2.896 20 30 CFEDHN C#C[C@@H](NC(=O)NC[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000852392494 634737129 /nfs/dbraw/zinc/73/71/29/634737129.db2.gz MKJWTWNLLKGPIU-HZPDHXFCSA-N 0 3 299.418 2.533 20 30 CFEDHN C#CCSCCNCc1c(F)cccc1CC ZINC000792993839 629474570 /nfs/dbraw/zinc/47/45/70/629474570.db2.gz XYAJGVRDCKJNIN-UHFFFAOYSA-N 0 3 251.370 2.844 20 30 CFEDHN C[C@H]1CN(C2CC2)CC1N=Nc1cccc(Cl)n1 ZINC000793163391 629496048 /nfs/dbraw/zinc/49/60/48/629496048.db2.gz JPCAPJLFIQEQPE-VIFPVBQESA-N 0 3 264.760 2.617 20 30 CFEDHN C=CCCCCC[C@@H](C)NCc1ncnn1CC ZINC000793570824 629573440 /nfs/dbraw/zinc/57/34/40/629573440.db2.gz XYXQODSIUGCEMF-CYBMUJFWSA-N 0 3 250.390 2.913 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1cccc(I)c1 ZINC000793594253 629576905 /nfs/dbraw/zinc/57/69/05/629576905.db2.gz XEKRFHRIPIGHSK-SNVBAGLBSA-N 0 3 299.155 2.745 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2coc(C#N)c2)c1 ZINC000867020223 629618012 /nfs/dbraw/zinc/61/80/12/629618012.db2.gz JVVHPVKNOMVTIO-UHFFFAOYSA-N 0 3 283.331 2.774 20 30 CFEDHN CCC(CC)C(=O)C(C#N)C(=O)N(C)Cc1ccccc1 ZINC000835341552 629643144 /nfs/dbraw/zinc/64/31/44/629643144.db2.gz VZMOAPJMWVAWLJ-OAHLLOKOSA-N 0 3 286.375 2.790 20 30 CFEDHN C#CC(C)(C)N(C)C[C@H](O)c1cccc(Cl)c1 ZINC000794579235 629664052 /nfs/dbraw/zinc/66/40/52/629664052.db2.gz UTNATENUISKQPW-ZDUSSCGKSA-N 0 3 251.757 2.717 20 30 CFEDHN C[C@@H](C#N)OCCNC(C)(C)c1ccccc1F ZINC000795234658 629750316 /nfs/dbraw/zinc/75/03/16/629750316.db2.gz YGAJOIOWMYLWRM-NSHDSACASA-N 0 3 250.317 2.579 20 30 CFEDHN C#CCCN1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000796545854 629933037 /nfs/dbraw/zinc/93/30/37/629933037.db2.gz MWWFUSYBAIUJEL-MRXNPFEDSA-N 0 3 292.423 2.733 20 30 CFEDHN C=CCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796683403 629950275 /nfs/dbraw/zinc/95/02/75/629950275.db2.gz OESCPFBASWMOEL-CQSZACIVSA-N 0 3 266.385 2.696 20 30 CFEDHN CC(C)(C)c1cnc(C(C#N)C(=O)C2(C)COC2)s1 ZINC000797566771 630082750 /nfs/dbraw/zinc/08/27/50/630082750.db2.gz AJTVIPFSVSQOLA-VIFPVBQESA-N 0 3 278.377 2.653 20 30 CFEDHN C=CCN1CC[C@@H](N[C@](C)(CC)c2ccccc2)C1=O ZINC000799155197 630280711 /nfs/dbraw/zinc/28/07/11/630280711.db2.gz SVJMSVPALNMFON-NVXWUHKLSA-N 0 3 272.392 2.688 20 30 CFEDHN C=CCN1CC[C@H](N[C@](C)(CC)c2ccccc2)C1=O ZINC000799155196 630281135 /nfs/dbraw/zinc/28/11/35/630281135.db2.gz SVJMSVPALNMFON-DOTOQJQBSA-N 0 3 272.392 2.688 20 30 CFEDHN COc1cc(CN[C@@H](C)c2ccc[nH]2)ccc1C#N ZINC000799341123 630301261 /nfs/dbraw/zinc/30/12/61/630301261.db2.gz XDEPWWDLILOXNI-NSHDSACASA-N 0 3 255.321 2.746 20 30 CFEDHN C#CCCN1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC000799344839 630302411 /nfs/dbraw/zinc/30/24/11/630302411.db2.gz IXYITGDFOAXJOG-MRXNPFEDSA-N 0 3 286.419 2.615 20 30 CFEDHN C#CCOc1ccccc1CN[C@H](C)COC(C)C ZINC000800238878 630362934 /nfs/dbraw/zinc/36/29/34/630362934.db2.gz ZLLBKIMXBPRFLJ-CQSZACIVSA-N 0 3 261.365 2.602 20 30 CFEDHN C#C[C@H](NC/C(C)=C\c1ccccc1)[C@@H]1CCCO1 ZINC000800264900 630364503 /nfs/dbraw/zinc/36/45/03/630364503.db2.gz LGXKKWMGXVSFKI-VTSFNGBDSA-N 0 3 255.361 2.860 20 30 CFEDHN CC[C@H](c1ccccc1)N(CC(=O)NCCC#N)C(C)C ZINC000852693799 634808378 /nfs/dbraw/zinc/80/83/78/634808378.db2.gz LNZCSIIBKHLTGI-MRXNPFEDSA-N 0 3 287.407 2.878 20 30 CFEDHN C[C@H]1CC(NC(=O)c2ccccc2Oc2ccncc2)=NO1 ZINC000801180712 630432114 /nfs/dbraw/zinc/43/21/14/630432114.db2.gz NNNFQTLUPWARDY-NSHDSACASA-N 0 3 297.314 2.726 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(N2CCOC2=O)CC1 ZINC000852723614 634814324 /nfs/dbraw/zinc/81/43/24/634814324.db2.gz XSLGCZZTMXRKFT-CYBMUJFWSA-N 0 3 299.374 2.536 20 30 CFEDHN C[C@H](C#N)OCCN(C)Cc1ccccc1N1CCCC1 ZINC000801910262 630485171 /nfs/dbraw/zinc/48/51/71/630485171.db2.gz YPGCKKBPMMDXHX-OAHLLOKOSA-N 0 3 287.407 2.647 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@H]1c1ccc(F)cc1 ZINC000801910957 630485225 /nfs/dbraw/zinc/48/52/25/630485225.db2.gz QUBINASPQQLXDT-WFASDCNBSA-N 0 3 262.328 2.891 20 30 CFEDHN C[C@@H](C#N)OCCN1CCC[C@@H]1c1cccc(F)c1 ZINC000801913619 630485754 /nfs/dbraw/zinc/48/57/54/630485754.db2.gz YNPFVXNNYAMDMK-SWLSCSKDSA-N 0 3 262.328 2.891 20 30 CFEDHN CC[C@H](NCCO[C@H](C)C#N)c1ccc(F)cc1F ZINC000801938715 630492332 /nfs/dbraw/zinc/49/23/32/630492332.db2.gz HZJYZIGRZTVOBF-YGRLFVJLSA-N 0 3 268.307 2.934 20 30 CFEDHN C[C@H](C#N)OCCN1CCC(c2ccsc2)CC1 ZINC000801944103 630493608 /nfs/dbraw/zinc/49/36/08/630493608.db2.gz OSHVIZRNRFMYOV-GFCCVEGCSA-N 0 3 264.394 2.856 20 30 CFEDHN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nc2ccccc2[nH]1 ZINC000802033090 630498848 /nfs/dbraw/zinc/49/88/48/630498848.db2.gz XZTWDVQPAXCQPX-CIUDSAMLSA-N 0 3 275.258 2.640 20 30 CFEDHN C#CCCN(CCOC)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000852748921 634822843 /nfs/dbraw/zinc/82/28/43/634822843.db2.gz LBPALOZMZWFPCL-MRXNPFEDSA-N 0 3 295.810 2.999 20 30 CFEDHN C#CCCN(CCOC)CCOc1ccc(Cl)cc1 ZINC000852752753 634825695 /nfs/dbraw/zinc/82/56/95/634825695.db2.gz KIYNYTIPXZFPMK-UHFFFAOYSA-N 0 3 281.783 2.691 20 30 CFEDHN COC(=O)NC1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000852763175 634827835 /nfs/dbraw/zinc/82/78/35/634827835.db2.gz JNYBWCZLYFGGRQ-UHFFFAOYSA-N 0 3 293.411 2.671 20 30 CFEDHN C#C[C@@H](NC(=O)CN(CC)CC)c1ccc(Cl)cc1F ZINC000804422692 630680695 /nfs/dbraw/zinc/68/06/95/630680695.db2.gz VSTMNZRMBCSGJA-CQSZACIVSA-N 0 3 296.773 2.611 20 30 CFEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000836488760 630832730 /nfs/dbraw/zinc/83/27/30/630832730.db2.gz NHOBKVSJZDFNBI-HZPDHXFCSA-N 0 3 293.455 2.552 20 30 CFEDHN C#CCC(C)(C)C(=O)NC[C@@H](N[C@H](C)CC)c1ccco1 ZINC000807681754 630903742 /nfs/dbraw/zinc/90/37/42/630903742.db2.gz MYDWRWIRVIYYFP-ZIAGYGMSSA-N 0 3 290.407 2.875 20 30 CFEDHN C=CCC1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC000836991530 630932598 /nfs/dbraw/zinc/93/25/98/630932598.db2.gz VZTYOALTFVPNLD-UHFFFAOYSA-N 0 3 264.413 2.723 20 30 CFEDHN CC(=NN[C@H]1CCSC1)c1ccccc1N(C)C ZINC000808001923 630937401 /nfs/dbraw/zinc/93/74/01/630937401.db2.gz RODRPNZZLWDWKI-LBPRGKRZSA-N 0 3 263.410 2.572 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000808445029 630993448 /nfs/dbraw/zinc/99/34/48/630993448.db2.gz MNMQTSSBSYRCCI-SJKOYZFVSA-N 0 3 284.334 2.909 20 30 CFEDHN Cc1ccc(CN(CCN(C)C)C(=O)C#CC(C)(C)C)o1 ZINC000837372641 631015730 /nfs/dbraw/zinc/01/57/30/631015730.db2.gz PKWUCIFXRHUSAO-UHFFFAOYSA-N 0 3 290.407 2.528 20 30 CFEDHN C#Cc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000809611423 631245875 /nfs/dbraw/zinc/24/58/75/631245875.db2.gz BSQUDWKRCCNSTK-QGZVFWFLSA-N 0 3 290.366 2.563 20 30 CFEDHN C#Cc1ccc(CNCc2ccc(-n3cncn3)cc2)cc1 ZINC000809615702 631246966 /nfs/dbraw/zinc/24/69/66/631246966.db2.gz BGELPAAEOCXPFF-UHFFFAOYSA-N 0 3 288.354 2.538 20 30 CFEDHN C#Cc1ccc(CNCc2cc(OC)c(O)c(OC)c2)cc1 ZINC000809612586 631247092 /nfs/dbraw/zinc/24/70/92/631247092.db2.gz RUHZIBQEDSCULZ-UHFFFAOYSA-N 0 3 297.354 2.681 20 30 CFEDHN C#C[C@@H](C)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000809683359 631260799 /nfs/dbraw/zinc/26/07/99/631260799.db2.gz AUGGVYWTSWFEDN-GFCCVEGCSA-N 0 3 259.349 2.753 20 30 CFEDHN C#C[C@H](NCc1cnn(-c2ccc(F)cc2)c1)C(C)C ZINC000809685352 631262426 /nfs/dbraw/zinc/26/24/26/631262426.db2.gz PANCDOVKPZMQHG-INIZCTEOSA-N 0 3 271.339 2.759 20 30 CFEDHN CCN1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000809698124 631266756 /nfs/dbraw/zinc/26/67/56/631266756.db2.gz WFEGADCTPDVODC-GJZGRUSLSA-N 0 3 287.407 2.503 20 30 CFEDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cccc(C#N)c2)C1 ZINC000809996888 631311539 /nfs/dbraw/zinc/31/15/39/631311539.db2.gz QNLDKJCXARCDCS-INIZCTEOSA-N 0 3 289.354 2.709 20 30 CFEDHN CC(C)(C)[S@@](=O)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000810218607 631346807 /nfs/dbraw/zinc/34/68/07/631346807.db2.gz JWINHICMIZISJF-YWZLYKJASA-N 0 3 290.432 2.682 20 30 CFEDHN Cc1cc(N(C)C)ccc1C=NN[C@@H](CO)c1ccccc1 ZINC000841634996 631438442 /nfs/dbraw/zinc/43/84/42/631438442.db2.gz AKCOEEZLEYAEJB-SFHVURJKSA-N 0 3 297.402 2.718 20 30 CFEDHN C#CCOc1ccccc1CNC[C@H](CC(C)C)OC ZINC000841888397 631488455 /nfs/dbraw/zinc/48/84/55/631488455.db2.gz IQOZVLMBMMLUDV-INIZCTEOSA-N 0 3 275.392 2.849 20 30 CFEDHN C=CCCCCCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000841903652 631492323 /nfs/dbraw/zinc/49/23/23/631492323.db2.gz ZPIXYEBAIYHERB-KGLIPLIRSA-N 0 3 267.417 2.515 20 30 CFEDHN C[C@@H](c1ccccn1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153724 631555287 /nfs/dbraw/zinc/55/52/87/631555287.db2.gz OUACXFFVNOOCPQ-GUYCJALGSA-N 0 3 281.359 2.680 20 30 CFEDHN CCN(CC)c1ccc(/C=[NH+]\Cc2cncn2C)c([O-])c1 ZINC000811624682 631588878 /nfs/dbraw/zinc/58/88/78/631588878.db2.gz MSEFSRMVBYVIKP-MFOYZWKCSA-N 0 3 286.379 2.591 20 30 CFEDHN CC[C@H](OC)C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813211634 631881721 /nfs/dbraw/zinc/88/17/21/631881721.db2.gz NRCFBHVSLMCQOH-KOLCDFICSA-N 0 3 286.253 2.702 20 30 CFEDHN CC(C)CN(CCC#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813426118 631919763 /nfs/dbraw/zinc/91/97/63/631919763.db2.gz YXUOETXFEKRSKR-MRXNPFEDSA-N 0 3 297.418 2.597 20 30 CFEDHN C#CC[C@@H]1CCCN(Cc2cnc(C3CC3)nc2)C1 ZINC000843422942 631952481 /nfs/dbraw/zinc/95/24/81/631952481.db2.gz JUNBDCHOJZVVHR-CYBMUJFWSA-N 0 3 255.365 2.589 20 30 CFEDHN C#CC[C@H]1CCCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000843424389 631952994 /nfs/dbraw/zinc/95/29/94/631952994.db2.gz ZMUGGMNDAQYUNG-AWEZNQCLSA-N 0 3 288.391 2.735 20 30 CFEDHN C#CC1CCN(Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000843426742 631954352 /nfs/dbraw/zinc/95/43/52/631954352.db2.gz IVYFCKXHGGTVNQ-ZDUSSCGKSA-N 0 3 285.387 2.864 20 30 CFEDHN C#CC1CC[NH+](Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000843426675 631954808 /nfs/dbraw/zinc/95/48/08/631954808.db2.gz GCDNLEVOBODRIH-UHFFFAOYSA-N 0 3 279.767 2.899 20 30 CFEDHN C#CC1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000843428781 631956483 /nfs/dbraw/zinc/95/64/83/631956483.db2.gz NYAMYGLCFKKMBQ-UHFFFAOYSA-N 0 3 259.349 2.549 20 30 CFEDHN C#CCCCCCC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000843988345 632088547 /nfs/dbraw/zinc/08/85/47/632088547.db2.gz IXRBYICYDLRGIN-HNNXBMFYSA-N 0 3 264.413 2.513 20 30 CFEDHN COc1ccc(CN(C)[C@H]2CC[C@H](C#N)C2)cc1F ZINC000815010219 632187669 /nfs/dbraw/zinc/18/76/69/632187669.db2.gz PXHQJIUOSUSLNV-AAEUAGOBSA-N 0 3 262.328 2.958 20 30 CFEDHN C=CCC(F)(F)C(=O)NCCN1CCCC[C@@H]1CC ZINC000815605823 632296272 /nfs/dbraw/zinc/29/62/72/632296272.db2.gz GSZHVECBUKXRQH-LBPRGKRZSA-N 0 3 274.355 2.579 20 30 CFEDHN C=CC[C@H](CO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000815600926 632296613 /nfs/dbraw/zinc/29/66/13/632296613.db2.gz IXIHGNZNFNPJFO-KBPBESRZSA-N 0 3 263.381 2.844 20 30 CFEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC000845443907 632436431 /nfs/dbraw/zinc/43/64/31/632436431.db2.gz WJGZSTOJBKXXPR-MFKMUULPSA-N 0 3 292.766 2.677 20 30 CFEDHN CC[C@@H]1CN(C)CCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816660645 632506491 /nfs/dbraw/zinc/50/64/91/632506491.db2.gz LFYJIFBMBLYYCG-GDBMZVCRSA-N 0 3 287.407 2.503 20 30 CFEDHN C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845729544 632537061 /nfs/dbraw/zinc/53/70/61/632537061.db2.gz ATCYQDPQSNWMSZ-BBRMVZONSA-N 0 3 283.412 2.631 20 30 CFEDHN C=C(C)[C@@H](CC(=O)OC[C@@H]1CCN1C(C)(C)C)OCC ZINC000845733920 632540366 /nfs/dbraw/zinc/54/03/66/632540366.db2.gz MVNAZHBOMRCGCS-UONOGXRCSA-N 0 3 283.412 2.774 20 30 CFEDHN C=CCC(F)(F)C(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000817021866 632546906 /nfs/dbraw/zinc/54/69/06/632546906.db2.gz YIXUTGLPCAXHHQ-GFCCVEGCSA-N 0 3 286.366 2.531 20 30 CFEDHN CCOC(=O)C(C)(C)CCC[C@H](C)NCCC#N ZINC000845965105 632606047 /nfs/dbraw/zinc/60/60/47/632606047.db2.gz RPHBFWJDHBRMMO-LBPRGKRZSA-N 0 3 254.374 2.638 20 30 CFEDHN C[C@@]1(CCNCc2nc(C#N)cs2)C[C@]1(F)Cl ZINC000846041424 632621964 /nfs/dbraw/zinc/62/19/64/632621964.db2.gz ZVBCWHQTUGEEQN-GHMZBOCLSA-N 0 3 273.764 2.809 20 30 CFEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCCCC#N)C1 ZINC000846865475 632826210 /nfs/dbraw/zinc/82/62/10/632826210.db2.gz LZLIRRCRDAIXCI-OAHLLOKOSA-N 0 3 285.391 2.590 20 30 CFEDHN C#CCN(C)CCCNC(=O)[C@@H](C)CCC(C)(C)C ZINC000818593197 632874328 /nfs/dbraw/zinc/87/43/28/632874328.db2.gz PAFUQHLZHCOYDY-AWEZNQCLSA-N 0 3 266.429 2.520 20 30 CFEDHN C#CCN(C)CCCNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000818606618 632877435 /nfs/dbraw/zinc/87/74/35/632877435.db2.gz ZPJOPJZBZMNNQI-OAHLLOKOSA-N 0 3 278.440 2.664 20 30 CFEDHN C#C[C@@H]1CCCN(CCOCC(F)(F)C(F)(F)F)C1 ZINC000847018565 632883353 /nfs/dbraw/zinc/88/33/53/632883353.db2.gz LEWKUIPFOYNTBF-SNVBAGLBSA-N 0 3 285.256 2.546 20 30 CFEDHN C#C[C@@H]1CCCN([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000847021327 632884768 /nfs/dbraw/zinc/88/47/68/632884768.db2.gz JNGPETNZVHMNTH-AEFFLSMTSA-N 0 3 296.414 2.523 20 30 CFEDHN COC(=O)/C(C)=C/CNC1(c2ccc(C#N)cc2)CCC1 ZINC000847054826 632904837 /nfs/dbraw/zinc/90/48/37/632904837.db2.gz VJPBRPKFUHFNIN-MDWZMJQESA-N 0 3 284.359 2.646 20 30 CFEDHN Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1C#N ZINC000847254378 632962891 /nfs/dbraw/zinc/96/28/91/632962891.db2.gz FHUYCKUZZGBGIR-SJORKVTESA-N 0 3 297.402 2.613 20 30 CFEDHN N#CCCCCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000847640180 633015936 /nfs/dbraw/zinc/01/59/36/633015936.db2.gz FBMIKSZHEACRBB-MRXNPFEDSA-N 0 3 286.375 2.888 20 30 CFEDHN CCC(=O)OCC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000847746324 633067338 /nfs/dbraw/zinc/06/73/38/633067338.db2.gz CPJJKJIVIDMTBU-UHFFFAOYSA-N 0 3 286.375 2.746 20 30 CFEDHN C=CCC[C@H](O)CN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000107498203 633236929 /nfs/dbraw/zinc/23/69/29/633236929.db2.gz RMUULHOXMHDXCC-SFHVURJKSA-N 0 3 288.435 2.753 20 30 CFEDHN c1cncc(CON=C2CCCN3CCCC[C@@H]23)c1 ZINC000848406405 633250473 /nfs/dbraw/zinc/25/04/73/633250473.db2.gz DBXWYGLLEHSOLC-HNNXBMFYSA-N 0 3 259.353 2.603 20 30 CFEDHN C#C[C@@H]1CCCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000848924601 633407991 /nfs/dbraw/zinc/40/79/91/633407991.db2.gz WRMBNTTZKSLPGK-OAHLLOKOSA-N 0 3 271.408 2.771 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=S)NC1CCN(C)CC1 ZINC000849269291 633599541 /nfs/dbraw/zinc/59/95/41/633599541.db2.gz WTJLWHITJVSNAH-HIFRSBDPSA-N 0 3 295.496 2.680 20 30 CFEDHN C[C@@H](CC#N)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000850757122 634081740 /nfs/dbraw/zinc/08/17/40/634081740.db2.gz WNRXQNVKVKWNEI-JOYOIKCWSA-N 0 3 289.722 2.537 20 30 CFEDHN C[C@H](CC#N)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782505 634090414 /nfs/dbraw/zinc/09/04/14/634090414.db2.gz NBXGKUMSLNSEEE-ZJUUUORDSA-N 0 3 253.261 2.554 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2C[C@H](CCC)CC2=O)C1 ZINC000853536469 635031061 /nfs/dbraw/zinc/03/10/61/635031061.db2.gz CSECWNCZYMHLGO-HUUCEWRRSA-N 0 3 264.413 2.881 20 30 CFEDHN C=CC[C@H]1CCCN(CN2C[C@](C)(CC)CC2=O)C1 ZINC000853537350 635031580 /nfs/dbraw/zinc/03/15/80/635031580.db2.gz VSNBLMDUMGTRNV-GOEBONIOSA-N 0 3 264.413 2.881 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C(/C)c2cccs2)CC1 ZINC000857118025 635931713 /nfs/dbraw/zinc/93/17/13/635931713.db2.gz AKIYFXOOXJQNNV-SEYXRHQNSA-N 0 3 290.432 2.918 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000858172358 636147777 /nfs/dbraw/zinc/14/77/77/636147777.db2.gz RJXFTAVCFVFWPZ-ZBFHGGJFSA-N 0 3 296.361 2.854 20 30 CFEDHN Cc1ncccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000858274371 636174315 /nfs/dbraw/zinc/17/43/15/636174315.db2.gz ZTSSOUFPLSYCEZ-ZDUSSCGKSA-N 0 3 281.359 2.971 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000858335256 636195656 /nfs/dbraw/zinc/19/56/56/636195656.db2.gz QUVXMFJMGYFOOF-INIZCTEOSA-N 0 3 287.403 2.918 20 30 CFEDHN C#CC[C@@H](COC)NCc1ccc(OC)c(OCCC)c1 ZINC000858336198 636197270 /nfs/dbraw/zinc/19/72/70/636197270.db2.gz ZKSQMUUDORNINF-HNNXBMFYSA-N 0 3 291.391 2.612 20 30 CFEDHN Cc1ccccc1[C@H](C)CC(=O)C(C#N)C(=O)NC(C)C ZINC000116592930 636480092 /nfs/dbraw/zinc/48/00/92/636480092.db2.gz FIESPDJTQVUDJD-UKRRQHHQSA-N 0 3 286.375 2.722 20 30 CFEDHN C#CCOc1ccccc1CNCCOc1ccccc1 ZINC000048298297 650262356 /nfs/dbraw/zinc/26/23/56/650262356.db2.gz XRZHJJFYWVPQHA-UHFFFAOYSA-N 0 3 281.355 2.867 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081557145 636792232 /nfs/dbraw/zinc/79/22/32/636792232.db2.gz DNAAIZOIVAKVAQ-OAHLLOKOSA-N 0 3 264.800 2.993 20 30 CFEDHN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860471266 636892608 /nfs/dbraw/zinc/89/26/08/636892608.db2.gz GCBLETKEPSYZAV-BZUAXINKSA-N 0 3 296.370 2.581 20 30 CFEDHN C[C@@H](CCC(=O)C(C#N)C(=O)N1CCCC1)c1ccccc1 ZINC000160113231 650293395 /nfs/dbraw/zinc/29/33/95/650293395.db2.gz OLSIDKVZSSDUMZ-GOEBONIOSA-N 0 3 298.386 2.902 20 30 CFEDHN Cc1ccccc1CO[C@H](C)C(=O)C(C#N)c1ccncn1 ZINC000860657639 636939794 /nfs/dbraw/zinc/93/97/94/636939794.db2.gz ZJDRDQHDLHCTGP-HIFRSBDPSA-N 0 3 295.342 2.567 20 30 CFEDHN C#C[C@@H](NCc1ccc(OC)c(OC2CC2)c1)C(C)C ZINC000862363321 637335021 /nfs/dbraw/zinc/33/50/21/637335021.db2.gz MKABIYLBNYJQJZ-OAHLLOKOSA-N 0 3 273.376 2.984 20 30 CFEDHN C#CC[C@H](CCOC)NCc1cc2ccccc2nc1OC ZINC000862547495 637419808 /nfs/dbraw/zinc/41/98/08/637419808.db2.gz HVMWGXUXVXWOBD-MRXNPFEDSA-N 0 3 298.386 2.761 20 30 CFEDHN C#CC[C@@H](COC)N[C@H](C)c1cc2cnccc2o1 ZINC000862551382 637422907 /nfs/dbraw/zinc/42/29/07/637422907.db2.gz UFAFKCRXNJAZEE-YPMHNXCESA-N 0 3 258.321 2.517 20 30 CFEDHN S=c1[n-]c2ccccc2nc1N=NC1CC[N@@H+]2CCC[C@@H]12 ZINC000863129467 637567113 /nfs/dbraw/zinc/56/71/13/637567113.db2.gz VIHTUNGECFESBY-ZDUSSCGKSA-N 0 3 299.403 2.928 20 30 CFEDHN S=c1[n-]c2ccccc2nc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000863129467 637567114 /nfs/dbraw/zinc/56/71/14/637567114.db2.gz VIHTUNGECFESBY-ZDUSSCGKSA-N 0 3 299.403 2.928 20 30 CFEDHN CCc1cccnc1C(C)=NNc1ccnc(C)c1 ZINC000863159066 637573267 /nfs/dbraw/zinc/57/32/67/637573267.db2.gz BCVFLDMALCTFSC-UHFFFAOYSA-N 0 3 254.337 2.605 20 30 CFEDHN Cc1cc(NN=C2COc3cc(C)c(C)cc32)ccn1 ZINC000863159726 637574231 /nfs/dbraw/zinc/57/42/31/637574231.db2.gz ZGUBNKVKSVITMW-UHFFFAOYSA-N 0 3 267.332 2.637 20 30 CFEDHN Cc1cc(NN=C2CCCOc3cc(F)ccc32)ccn1 ZINC000863159301 637574566 /nfs/dbraw/zinc/57/45/66/637574566.db2.gz KUHNRKCYUZGACO-UHFFFAOYSA-N 0 3 285.322 2.940 20 30 CFEDHN COc1ccc(C=NNc2ccnc(C)c2)cc1OC1CC1 ZINC000863160888 637575825 /nfs/dbraw/zinc/57/58/25/637575825.db2.gz ULJJKFZRDWKHLQ-UHFFFAOYSA-N 0 3 297.358 2.808 20 30 CFEDHN C[C@@H]1C[C@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000863452794 637662892 /nfs/dbraw/zinc/66/28/92/637662892.db2.gz VOHJHCLSWFNVDJ-HIFRSBDPSA-N 0 3 274.364 2.530 20 30 CFEDHN C#CCCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000119743407 637822650 /nfs/dbraw/zinc/82/26/50/637822650.db2.gz SDTHNVKNKXTWTD-UHFFFAOYSA-N 0 3 290.451 2.905 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CNCCOc1ccccc1 ZINC000865401934 638310617 /nfs/dbraw/zinc/31/06/17/638310617.db2.gz FDYGXTQYKGOVNC-UHFFFAOYSA-N 0 3 295.386 2.793 20 30 CFEDHN C=C(Cl)CNCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865471633 638358604 /nfs/dbraw/zinc/35/86/04/638358604.db2.gz PXLDKGLRMHSSEC-UHFFFAOYSA-N 0 3 286.803 2.728 20 30 CFEDHN CN(C)c1ccc(C#N)cc1CN[C@H]1CSC1(C)C ZINC000865559244 638423135 /nfs/dbraw/zinc/42/31/35/638423135.db2.gz YYQBIQGNUAYANS-AWEZNQCLSA-N 0 3 275.421 2.608 20 30 CFEDHN C=CCCC(C)(C)CNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000865678777 638506697 /nfs/dbraw/zinc/50/66/97/638506697.db2.gz GBGKYUUHXVJEAB-HNNXBMFYSA-N 0 3 292.427 2.539 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2cc(C(=O)OCC)no2)C1 ZINC000865763831 638561566 /nfs/dbraw/zinc/56/15/66/638561566.db2.gz OSEYCXHFVAEETN-NWDGAFQWSA-N 0 3 278.352 2.686 20 30 CFEDHN CC(C)CN(C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866381777 638809942 /nfs/dbraw/zinc/80/99/42/638809942.db2.gz OIIZLAXJQODKDZ-AWEZNQCLSA-N 0 3 289.423 2.892 20 30 CFEDHN CCc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000121737988 638889711 /nfs/dbraw/zinc/88/97/11/638889711.db2.gz CQRZJXPTHNOTFG-LRDDRELGSA-N 0 3 298.386 2.730 20 30 CFEDHN C#CCCCCC(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868815808 638981999 /nfs/dbraw/zinc/98/19/99/638981999.db2.gz NXDYPFFIFMKDLT-UHFFFAOYSA-N 0 3 288.391 2.889 20 30 CFEDHN C=CCC(F)(F)C(=O)Nc1ccc(CN(C)C)cc1OC ZINC000868817383 638982140 /nfs/dbraw/zinc/98/21/40/638982140.db2.gz DWVKQAVVMWVHAA-UHFFFAOYSA-N 0 3 298.333 2.907 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)s1)NC(=O)OC(C)(C)C ZINC000192686046 650585202 /nfs/dbraw/zinc/58/52/02/650585202.db2.gz GGJFFCVOFAZQBY-JTQLQIEISA-N 0 3 295.408 2.623 20 30 CFEDHN Cc1ccc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)o1 ZINC000193438684 650653874 /nfs/dbraw/zinc/65/38/74/650653874.db2.gz DRSQKZVHXSUFAB-ZDUSSCGKSA-N 0 3 282.299 2.858 20 30 CFEDHN CC(=O)[C@@](C#N)(CCSCCN(C)C)c1ccccc1 ZINC000871658315 641386262 /nfs/dbraw/zinc/38/62/62/641386262.db2.gz SDSJRGGLGFSFGX-INIZCTEOSA-N 0 3 290.432 2.722 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc(O)ccc1F ZINC000872076560 641609381 /nfs/dbraw/zinc/60/93/81/641609381.db2.gz NGAZRKJNNJMORN-VQISRLSMSA-N 0 3 265.328 2.916 20 30 CFEDHN C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc([O-])c1F ZINC000872079175 641612634 /nfs/dbraw/zinc/61/26/34/641612634.db2.gz VWTLSYGATVHDHX-WDEREUQCSA-N 0 3 253.317 2.509 20 30 CFEDHN Cc1ncc([C@@H](C)NC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000872220824 641707536 /nfs/dbraw/zinc/70/75/36/641707536.db2.gz NCVQWADKRKVKFH-YGRLFVJLSA-N 0 3 287.388 2.707 20 30 CFEDHN C=CC[C@@H]1CCCN(CN2CCC3(CCC3)C2=O)C1 ZINC000872623469 641879554 /nfs/dbraw/zinc/87/95/54/641879554.db2.gz BQTUPHYQCJTTFL-CQSZACIVSA-N 0 3 262.397 2.635 20 30 CFEDHN Cc1c(CNCC(C)(C)CC#N)cccc1[N+](=O)[O-] ZINC000873130274 642022239 /nfs/dbraw/zinc/02/22/39/642022239.db2.gz CVHWAYUIULZXJH-UHFFFAOYSA-N 0 3 261.325 2.933 20 30 CFEDHN C=CC(C)(C)CCCNCc1cn(CCC)nn1 ZINC000873151160 642032673 /nfs/dbraw/zinc/03/26/73/642032673.db2.gz BALJTBSZXNCRPC-UHFFFAOYSA-N 0 3 250.390 2.770 20 30 CFEDHN C=CCC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CCCC1 ZINC000874826713 642512616 /nfs/dbraw/zinc/51/26/16/642512616.db2.gz PKYVKAGBIVICGG-CABCVRRESA-N 0 3 276.424 2.818 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cc(C)ccc1F ZINC000876549530 642917374 /nfs/dbraw/zinc/91/73/74/642917374.db2.gz FWOMZHZHLWDMLE-SNVBAGLBSA-N 0 3 256.708 2.543 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)CC(C)(C)C ZINC000876549839 642917853 /nfs/dbraw/zinc/91/78/53/642917853.db2.gz WPRDSLKBRJLPNU-SNVBAGLBSA-N 0 3 260.809 2.787 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000876557990 642921213 /nfs/dbraw/zinc/92/12/13/642921213.db2.gz NJYYOIRWKNCQPT-VXGBXAGGSA-N 0 3 296.823 2.810 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)C1CCCCCC1 ZINC000876569632 642927218 /nfs/dbraw/zinc/92/72/18/642927218.db2.gz JJTGFWXYPPXMHT-LBPRGKRZSA-N 0 3 258.793 2.638 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCCC1CCCCC1 ZINC000876593649 642928171 /nfs/dbraw/zinc/92/81/71/642928171.db2.gz OZHFJPLXNFQQKR-LBPRGKRZSA-N 0 3 258.793 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000876572963 642929078 /nfs/dbraw/zinc/92/90/78/642929078.db2.gz LOZKCTQRWGHFBC-VIFPVBQESA-N 0 3 299.827 2.820 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCCCC1CCCC1 ZINC000876594810 642937806 /nfs/dbraw/zinc/93/78/06/642937806.db2.gz RMQBGWHDQBPBPH-GFCCVEGCSA-N 0 3 258.793 2.543 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)c1ccccc1 ZINC000876594500 642938151 /nfs/dbraw/zinc/93/81/51/642938151.db2.gz OGKLHUIHUJRFTR-ZDUSSCGKSA-N 0 3 280.799 2.550 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(CC)CCc1cccs1 ZINC000876600405 642940626 /nfs/dbraw/zinc/94/06/26/642940626.db2.gz HXUNTEGWOFZXFY-LBPRGKRZSA-N 0 3 286.828 2.609 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CCCC)CC(F)(F)F ZINC000876604729 642941879 /nfs/dbraw/zinc/94/18/79/642941879.db2.gz DSKFXTQOTWHTCQ-SECBINFHSA-N 0 3 286.725 2.647 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000876608266 642942940 /nfs/dbraw/zinc/94/29/40/642942940.db2.gz DMZULIPXKIQJCM-CYBMUJFWSA-N 0 3 266.772 2.736 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCc2cc(C)ccc21 ZINC000876617077 642946760 /nfs/dbraw/zinc/94/67/60/642946760.db2.gz ZFUOBZGPGWROFC-KGLIPLIRSA-N 0 3 278.783 2.568 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000876617085 642947428 /nfs/dbraw/zinc/94/74/28/642947428.db2.gz ZJHJLVWZPPQLCN-ZJUUUORDSA-N 0 3 272.801 2.704 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)c1ccccc1F ZINC000876637254 642953509 /nfs/dbraw/zinc/95/35/09/642953509.db2.gz SPMKEYBFWQALQO-CYBMUJFWSA-N 0 3 298.789 2.689 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N[C@H](CCC)Cc1ccccc1 ZINC000876643831 642956571 /nfs/dbraw/zinc/95/65/71/642956571.db2.gz OBPIXNQUMITDTH-HUUCEWRRSA-N 0 3 294.826 2.984 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC(C)(C)Cc1ccccc1C ZINC000876646347 642957171 /nfs/dbraw/zinc/95/71/71/642957171.db2.gz URJFFUUCUFPHLE-AWEZNQCLSA-N 0 3 294.826 2.902 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCc2ccc(C)cc21 ZINC000876657603 642960522 /nfs/dbraw/zinc/96/05/22/642960522.db2.gz PCALGBZGJZSLHT-CYBMUJFWSA-N 0 3 278.783 2.744 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000876656880 642960934 /nfs/dbraw/zinc/96/09/34/642960934.db2.gz HVAMPIWDTLKVLH-DRZSPHRISA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000876665452 642963794 /nfs/dbraw/zinc/96/37/94/642963794.db2.gz BFPKEWIDRSNMSU-NSHDSACASA-N 0 3 285.174 2.699 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1(CC(C)C)CCC1 ZINC000876666144 642964754 /nfs/dbraw/zinc/96/47/54/642964754.db2.gz MSXIQXPJSSOYTK-GFCCVEGCSA-N 0 3 272.820 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000876676146 642968627 /nfs/dbraw/zinc/96/86/27/642968627.db2.gz SPCXRHBPMUOLQW-YGRLFVJLSA-N 0 3 296.773 2.741 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000876683593 642971672 /nfs/dbraw/zinc/97/16/72/642971672.db2.gz VRMNCDJWPUPWNS-GJZGRUSLSA-N 0 3 294.826 2.936 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000876755824 642996031 /nfs/dbraw/zinc/99/60/31/642996031.db2.gz MKHZQPTXLCYWCL-VXGBXAGGSA-N 0 3 292.814 2.521 20 30 CFEDHN COc1ccc(CNCCC(F)(F)F)cc1C#N ZINC000087824260 650806024 /nfs/dbraw/zinc/80/60/24/650806024.db2.gz WQKKFLRYFRMJNE-UHFFFAOYSA-N 0 3 258.243 2.609 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC)cc1 ZINC000876877612 643045923 /nfs/dbraw/zinc/04/59/23/643045923.db2.gz DXKYYLONXQSXGM-ZDUSSCGKSA-N 0 3 282.771 2.884 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N(CC)[C@H](CC)c1ccncc1 ZINC000876885795 643050932 /nfs/dbraw/zinc/05/09/32/643050932.db2.gz QBLSUTGAFPFYHK-ZIAGYGMSSA-N 0 3 295.814 2.851 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(c2ccsc2)CC1 ZINC000876886872 643051860 /nfs/dbraw/zinc/05/18/60/643051860.db2.gz CHWJPCXFKPWZHJ-ZDUSSCGKSA-N 0 3 298.839 2.924 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C ZINC000876887775 643053619 /nfs/dbraw/zinc/05/36/19/643053619.db2.gz GKVPMCWQBYSXEM-LKTVYLICSA-N 0 3 292.810 2.896 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C)c2cccc(O)c21 ZINC000876908179 643059877 /nfs/dbraw/zinc/05/98/77/643059877.db2.gz KTQFOOZKIQSTHG-CABZTGNLSA-N 0 3 294.782 2.702 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C)c2cccc(O)c21 ZINC000876908180 643060777 /nfs/dbraw/zinc/06/07/77/643060777.db2.gz KTQFOOZKIQSTHG-JOYOIKCWSA-N 0 3 294.782 2.702 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000876909424 643060925 /nfs/dbraw/zinc/06/09/25/643060925.db2.gz YIHJLUSYNLUBJZ-RKDXNWHRSA-N 0 3 298.736 2.646 20 30 CFEDHN C[C@H](CN1CCCCC1)NCc1cc(C#N)cnc1Cl ZINC000876926892 643067165 /nfs/dbraw/zinc/06/71/65/643067165.db2.gz JZUYXLWIBVKARS-GFCCVEGCSA-N 0 3 292.814 2.571 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)NC1(c2cccc(F)c2)CCC1 ZINC000876937046 643072351 /nfs/dbraw/zinc/07/23/51/643072351.db2.gz PWBIZDIYQUFAIJ-ZDUSSCGKSA-N 0 3 296.773 2.791 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000876940429 643074385 /nfs/dbraw/zinc/07/43/85/643074385.db2.gz UUUNLEJWHVLARB-QWHCGFSZSA-N 0 3 270.804 2.638 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000876946094 643074988 /nfs/dbraw/zinc/07/49/88/643074988.db2.gz NULCYUUXIHOFSX-GFCCVEGCSA-N 0 3 296.773 2.920 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CC(C)(C)c2ccc(F)cc21 ZINC000876946095 643075304 /nfs/dbraw/zinc/07/53/04/643075304.db2.gz NULCYUUXIHOFSX-LBPRGKRZSA-N 0 3 296.773 2.920 20 30 CFEDHN C[C@@H](COc1ccccc1)NCc1cccc(C#N)n1 ZINC000876977207 643090486 /nfs/dbraw/zinc/09/04/86/643090486.db2.gz WUQKUGSMANQLFY-ZDUSSCGKSA-N 0 3 267.332 2.510 20 30 CFEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(C1CCC1)C1CCC1 ZINC000876990864 643096380 /nfs/dbraw/zinc/09/63/80/643096380.db2.gz OSTPPZAHNGMWIJ-CQSZACIVSA-N 0 3 284.831 2.789 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N[C@H](c1ccccn1)C1CCC1 ZINC000877010504 643103643 /nfs/dbraw/zinc/10/36/43/643103643.db2.gz AUYVRWVNARPQFQ-JSGCOSHPSA-N 0 3 293.798 2.509 20 30 CFEDHN C=C(Br)CNC[C@H](CC(C)C)OC ZINC000877020253 643107172 /nfs/dbraw/zinc/10/71/72/643107172.db2.gz MWMRZDRHUCWSFR-JTQLQIEISA-N 0 3 250.180 2.546 20 30 CFEDHN CSC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877065181 643130612 /nfs/dbraw/zinc/13/06/12/643130612.db2.gz IFNFVCOMVSQJBM-UHFFFAOYSA-N 0 3 269.801 2.838 20 30 CFEDHN CCCOc1ccc(NC(=O)[C@H](N)CCCC#N)cc1C ZINC000877085653 643144810 /nfs/dbraw/zinc/14/48/10/643144810.db2.gz VSTPQKXHGWPOTG-CQSZACIVSA-N 0 3 289.379 2.744 20 30 CFEDHN N#Cc1cccc(CNCC2([C@H](O)c3ccccc3)CC2)n1 ZINC000877113085 643157416 /nfs/dbraw/zinc/15/74/16/643157416.db2.gz ZIXOFOBCECZJPQ-QGZVFWFLSA-N 0 3 293.370 2.557 20 30 CFEDHN C[C@@H](C[C@@H](O)c1cccs1)NCc1cccc(C#N)n1 ZINC000877129247 643168201 /nfs/dbraw/zinc/16/82/01/643168201.db2.gz MAJNFROXXBOGTK-SMDDNHRTSA-N 0 3 287.388 2.617 20 30 CFEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1c1cncc(C)c1 ZINC000877270166 643217685 /nfs/dbraw/zinc/21/76/85/643217685.db2.gz FKIRVHQRSBIWTA-KBPBESRZSA-N 0 3 293.798 2.523 20 30 CFEDHN C[C@H]1CCSCCN1Cc1cc(C#N)ccc1N(C)C ZINC000877473538 643292329 /nfs/dbraw/zinc/29/23/29/643292329.db2.gz IXOOLHDLFJKBCK-ZDUSSCGKSA-N 0 3 289.448 2.952 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000877496939 643308808 /nfs/dbraw/zinc/30/88/08/643308808.db2.gz ZKQVVMLQIHZMDG-BBRMVZONSA-N 0 3 261.365 2.771 20 30 CFEDHN C#C[C@@H](NCC1CC(OCC)C1)c1ccc(F)cc1 ZINC000877544585 643346592 /nfs/dbraw/zinc/34/65/92/643346592.db2.gz RLGFLPOCECTAEZ-VDSRIPIWSA-N 0 3 261.340 2.905 20 30 CFEDHN C#CCCCCCCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000877545926 643347255 /nfs/dbraw/zinc/34/72/55/643347255.db2.gz NQMWYLZNFDHHBL-MRXNPFEDSA-N 0 3 299.480 2.859 20 30 CFEDHN COCC1(CNCc2cc(C#N)cnc2Cl)CCCC1 ZINC000877574646 643373047 /nfs/dbraw/zinc/37/30/47/643373047.db2.gz QKMPQMXNHJBNIP-UHFFFAOYSA-N 0 3 293.798 2.903 20 30 CFEDHN C#CCCCCCCNCc1ccccc1S(C)(=O)=O ZINC000877588979 643382480 /nfs/dbraw/zinc/38/24/80/643382480.db2.gz DOWSOHFJQAPLGE-UHFFFAOYSA-N 0 3 293.432 2.763 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCCC2SCCS2)c1 ZINC000877636686 643420245 /nfs/dbraw/zinc/42/02/45/643420245.db2.gz GDWSIEIPUJKRGM-UHFFFAOYSA-N 0 3 299.852 2.892 20 30 CFEDHN C#CCCN(CCOC)Cc1cc2c(ccnc2Cl)o1 ZINC000877641514 643425616 /nfs/dbraw/zinc/42/56/16/643425616.db2.gz WUSUVNURZKDQKQ-UHFFFAOYSA-N 0 3 292.766 2.953 20 30 CFEDHN N#Cc1cnc(Cl)c(CNCC[C@@H]2CCCS2)c1 ZINC000877697494 643461063 /nfs/dbraw/zinc/46/10/63/643461063.db2.gz INWAFWJYAJCGJM-LBPRGKRZSA-N 0 3 281.812 2.982 20 30 CFEDHN COc1cncc(CN(C)CCc2cccc(C#N)c2)c1 ZINC000877705059 643472691 /nfs/dbraw/zinc/47/26/91/643472691.db2.gz QXTBVFAYPSAAQQ-UHFFFAOYSA-N 0 3 281.359 2.636 20 30 CFEDHN N#Cc1cnc(Cl)c(CN2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000877737848 643499560 /nfs/dbraw/zinc/49/95/60/643499560.db2.gz LIVSZWVZBKSYBX-YPMHNXCESA-N 0 3 293.823 2.792 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000877738262 643502069 /nfs/dbraw/zinc/50/20/69/643502069.db2.gz NCTJNTPVTXNMGC-GJZGRUSLSA-N 0 3 258.390 2.743 20 30 CFEDHN CN(Cc1ccc(C#N)cc1)C[C@@H]1CC2(CCC2)CO1 ZINC000877917220 643639815 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ZINC000880389040 644685547 /nfs/dbraw/zinc/68/55/47/644685547.db2.gz PZLFCBOOZKIUME-OAHLLOKOSA-N 0 3 260.381 2.810 20 30 CFEDHN C#CCC1(O)CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000880477034 644729729 /nfs/dbraw/zinc/72/97/29/644729729.db2.gz AUCRYKFEZKGNMQ-UHFFFAOYSA-N 0 3 293.794 2.569 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccccc2SC)CC1 ZINC000880481107 644730892 /nfs/dbraw/zinc/73/08/92/644730892.db2.gz MFUFVSXZOJHRMJ-UHFFFAOYSA-N 0 3 275.417 2.759 20 30 CFEDHN C#CCC1(O)CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000880479836 644731491 /nfs/dbraw/zinc/73/14/91/644731491.db2.gz ZQTSXRFZQQWCRQ-UHFFFAOYSA-N 0 3 295.329 2.638 20 30 CFEDHN C=CCN1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC000880500846 644737555 /nfs/dbraw/zinc/73/75/55/644737555.db2.gz HSIKQEYPGFXRIL-WMZOPIPTSA-N 0 3 286.419 2.538 20 30 CFEDHN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)o2)cn1 ZINC000880520127 644748352 /nfs/dbraw/zinc/74/83/52/644748352.db2.gz CEMTWURUWKESQS-LQDVMPOASA-N 0 3 296.374 2.795 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNc1cc(C#N)nc(C)n1)c1ccco1 ZINC000882350345 645289795 /nfs/dbraw/zinc/28/97/95/645289795.db2.gz KMCOBMAJNITVGM-RISCZKNCSA-N 0 3 299.378 2.791 20 30 CFEDHN C=CCC[C@H](NCc1cccnc1OC)[C@H]1CCCO1 ZINC000883171233 645638954 /nfs/dbraw/zinc/63/89/54/645638954.db2.gz RXIRKEWZDRXERZ-LSDHHAIUSA-N 0 3 276.380 2.694 20 30 CFEDHN C#CC[C@H](CCOC)NCc1ccc(SC)o1 ZINC000883191601 645653342 /nfs/dbraw/zinc/65/33/42/645653342.db2.gz FGBSEJSKMRXYBM-LLVKDONJSA-N 0 3 253.367 2.520 20 30 CFEDHN C=CCC[C@H](NCc1ccc(F)cn1)[C@@H]1CCCO1 ZINC000883198225 645657258 /nfs/dbraw/zinc/65/72/58/645657258.db2.gz CQCYGSDTWBEHID-GJZGRUSLSA-N 0 3 264.344 2.824 20 30 CFEDHN C=CCC[C@H](N[C@H](CCO)c1ccco1)[C@H]1CCCO1 ZINC000883216522 645669901 /nfs/dbraw/zinc/66/99/01/645669901.db2.gz RHUVCBZRYYAAMU-RRFJBIMHSA-N 0 3 279.380 2.807 20 30 CFEDHN C#CC1(NCc2ccc(N3CCCC3)nc2)CCCC1 ZINC000883362426 645769417 /nfs/dbraw/zinc/76/94/17/645769417.db2.gz CXJMZJVMEHUADB-UHFFFAOYSA-N 0 3 269.392 2.717 20 30 CFEDHN C#CC1(NCc2ccc(C#N)c(OC)c2)CCCC1 ZINC000883362903 645769617 /nfs/dbraw/zinc/76/96/17/645769617.db2.gz QKDTYICJBBVCFJ-UHFFFAOYSA-N 0 3 254.333 2.602 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc(OC)cc1F ZINC000883389179 645786405 /nfs/dbraw/zinc/78/64/05/645786405.db2.gz LWZIJBZFKMXENG-VXGBXAGGSA-N 0 3 267.344 2.812 20 30 CFEDHN C=C(C)C[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883392272 645792483 /nfs/dbraw/zinc/79/24/83/645792483.db2.gz DLXRUIYDFNHDRX-VXGBXAGGSA-N 0 3 294.351 2.581 20 30 CFEDHN C=C(C)C[C@H](CO)NCc1cc(OC)c(OC)cc1Cl ZINC000883399176 645795370 /nfs/dbraw/zinc/79/53/70/645795370.db2.gz GGOBYIFYPSEYFX-GFCCVEGCSA-N 0 3 299.798 2.774 20 30 CFEDHN C=C(C)C[C@@H](CO)NCc1ccc(OC)c(OC)c1Cl ZINC000883400404 645796190 /nfs/dbraw/zinc/79/61/90/645796190.db2.gz LUWWEEBZHYXCJD-LBPRGKRZSA-N 0 3 299.798 2.774 20 30 CFEDHN CCN(CC)c1ccc(C=NOCCOC)cc1 ZINC000884224153 646265214 /nfs/dbraw/zinc/26/52/14/646265214.db2.gz ITXZVSSCEYYNLX-UHFFFAOYSA-N 0 3 250.342 2.530 20 30 CFEDHN CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)C(C)C#N)C1 ZINC000884779941 646549749 /nfs/dbraw/zinc/54/97/49/646549749.db2.gz OSTRGIRJNMYXFT-WBMJQRKESA-N 0 3 294.395 2.507 20 30 CFEDHN C#CCN1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000135872038 646661630 /nfs/dbraw/zinc/66/16/30/646661630.db2.gz WOTXTLVEYXGYAA-QAPCUYQASA-N 0 3 285.435 2.556 20 30 CFEDHN N#CC1(C[C@H](O)CN2CCC(C(F)(F)F)CC2)CCC1 ZINC000886024962 646825881 /nfs/dbraw/zinc/82/58/81/646825881.db2.gz ANNIIGAAFLLPAA-LBPRGKRZSA-N 0 3 290.329 2.706 20 30 CFEDHN C[C@H](c1ccccn1)N(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886092288 646863488 /nfs/dbraw/zinc/86/34/88/646863488.db2.gz SVOHGYJKOBVTAM-KGLIPLIRSA-N 0 3 273.380 2.519 20 30 CFEDHN CC[C@H](NC[C@H](O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000886125011 646883736 /nfs/dbraw/zinc/88/37/36/646883736.db2.gz HBUILKBHWLSWOA-OLZOCXBDSA-N 0 3 293.436 2.937 20 30 CFEDHN C#CC[C@H]1CCN([C@@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000886354029 646983181 /nfs/dbraw/zinc/98/31/81/646983181.db2.gz UWRGLWIDDDJSML-HOTGVXAUSA-N 0 3 296.414 2.700 20 30 CFEDHN C#CC[C@@H]1CCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1 ZINC000886356146 646984320 /nfs/dbraw/zinc/98/43/20/646984320.db2.gz USRSGNPIPWZCEU-YESZJQIVSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CC[C@H]1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000886355782 646984421 /nfs/dbraw/zinc/98/44/21/646984421.db2.gz NOPPOHQICVMSBA-CVEARBPZSA-N 0 3 284.403 2.976 20 30 CFEDHN Clc1ccc(C#CCN2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886560046 647047155 /nfs/dbraw/zinc/04/71/55/647047155.db2.gz LPFFHPQHKNSXDL-OKILXGFUSA-N 0 3 277.820 2.986 20 30 CFEDHN C#CCN(C(=O)/C=C(\C)C(C)(C)C)C1CCN(C)CC1 ZINC000886573609 647051128 /nfs/dbraw/zinc/05/11/28/647051128.db2.gz ORKGXAVUUJGKBY-BUHFOSPRSA-N 0 3 276.424 2.535 20 30 CFEDHN C#CCN(C(=O)c1sc(C)cc1C)C1CCN(C)CC1 ZINC000886572790 647051278 /nfs/dbraw/zinc/05/12/78/647051278.db2.gz ZYTOHZVWCLKNPL-UHFFFAOYSA-N 0 3 290.432 2.535 20 30 CFEDHN C#CCN(C(=O)c1cscc1Cl)C1CCN(C)CC1 ZINC000886572570 647051286 /nfs/dbraw/zinc/05/12/86/647051286.db2.gz QZYGZNIEUDIVSJ-UHFFFAOYSA-N 0 3 296.823 2.571 20 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WFIUYOMHXUPCSY-INIZCTEOSA-N 0 3 281.359 2.520 20 30 CFEDHN C=C(Br)CNCC1(C2(O)CCC2)CCC1 ZINC000886975111 647184313 /nfs/dbraw/zinc/18/43/13/647184313.db2.gz ANGUSTGSIYYVTD-UHFFFAOYSA-N 0 3 274.202 2.570 20 30 CFEDHN N#Cc1ccccc1CNCC1(C2(O)CCC2)CCC1 ZINC000886972631 647185286 /nfs/dbraw/zinc/18/52/86/647185286.db2.gz MJSNJQRIVWHNDO-UHFFFAOYSA-N 0 3 270.376 2.733 20 30 CFEDHN C#CCC1(NCc2ncccc2C(F)(F)F)CCOCC1 ZINC000887120698 647218221 /nfs/dbraw/zinc/21/82/21/647218221.db2.gz MCIHZYBTGBBLPV-UHFFFAOYSA-N 0 3 298.308 2.763 20 30 CFEDHN CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1cccc(C#N)c1[O-] ZINC000924708801 648031421 /nfs/dbraw/zinc/03/14/21/648031421.db2.gz ZUFDENYPVNKNDV-BBRMVZONSA-N 0 3 287.407 2.646 20 30 CFEDHN Cc1ccccc1[C@@H](CO)N[C@@H](C)CC(C)(C)C#N ZINC000925210550 648132592 /nfs/dbraw/zinc/13/25/92/648132592.db2.gz USRCJPKRGPJTCA-DZGCQCFKSA-N 0 3 260.381 2.946 20 30 CFEDHN C#CCSCCN[C@H](C)c1cccc(Br)n1 ZINC000925453128 648171170 /nfs/dbraw/zinc/17/11/70/648171170.db2.gz GYTVEKUUJKSTFT-SNVBAGLBSA-N 0 3 299.237 2.861 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccnn1CC1CCC1 ZINC000925531580 648203786 /nfs/dbraw/zinc/20/37/86/648203786.db2.gz LUBITZKDLPYELP-AWEZNQCLSA-N 0 3 277.412 2.927 20 30 CFEDHN C=CC[C@H](C)[C@H](C)N1CCc2sc(CN)nc2C1 ZINC000925751998 648307669 /nfs/dbraw/zinc/30/76/69/648307669.db2.gz SUWQROPNJSVDJU-QWRGUYRKSA-N 0 3 265.426 2.561 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H]1CCCc2c(Cl)ccnc21 ZINC000926155529 648418086 /nfs/dbraw/zinc/41/80/86/648418086.db2.gz XSTLPZRLQRAZBK-GXFFZTMASA-N 0 3 266.772 2.639 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1cnn(C2CCC2)c1 ZINC000926347304 648468878 /nfs/dbraw/zinc/46/88/78/648468878.db2.gz YSGQIUAIBWUXHQ-LBPRGKRZSA-N 0 3 258.369 2.953 20 30 CFEDHN CCC[C@@H](O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000927019014 648684951 /nfs/dbraw/zinc/68/49/51/648684951.db2.gz QDBPRKMNRMKNCX-WCQYABFASA-N 0 3 264.344 2.899 20 30 CFEDHN N#CC1CCC(CN2CCN(c3nccs3)CC2)CC1 ZINC000929201355 649001348 /nfs/dbraw/zinc/00/13/48/649001348.db2.gz PTCOFMYXBHPDLD-UHFFFAOYSA-N 0 3 290.436 2.595 20 30 CFEDHN C=CC1(CC(=O)N2CCCN(C)CC2)CCCCC1 ZINC000929225983 649007598 /nfs/dbraw/zinc/00/75/98/649007598.db2.gz WBYXBHAAOMFDRF-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=C[C@H](CC)CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000929467401 649054859 /nfs/dbraw/zinc/05/48/59/649054859.db2.gz AFUCVHOMIGGCTC-WBVHZDCISA-N 0 3 288.435 2.878 20 30 CFEDHN C[C@@H](Cn1cccn1)NCc1cc(Cl)cc(C#N)c1 ZINC000929588405 649072877 /nfs/dbraw/zinc/07/28/77/649072877.db2.gz STQVQYOVPRXWTI-NSHDSACASA-N 0 3 274.755 2.586 20 30 CFEDHN N#Cc1cncc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000930299803 649225039 /nfs/dbraw/zinc/22/50/39/649225039.db2.gz JAUVOPJKEKHTPN-KZNAEPCWSA-N 0 3 299.418 2.859 20 30 CFEDHN C#CCN(C)CCCNC(=O)Nc1cc(C)ccc1Cl ZINC000930398430 649242370 /nfs/dbraw/zinc/24/23/70/649242370.db2.gz GDSLVHMQWUYZIP-UHFFFAOYSA-N 0 3 293.798 2.725 20 30 CFEDHN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C[C@H](O)CC#N ZINC000930448945 649250467 /nfs/dbraw/zinc/25/04/67/649250467.db2.gz 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/nfs/dbraw/zinc/38/80/36/649388036.db2.gz FUPAYUVZXBUJHT-UHFFFAOYSA-N 0 3 296.370 2.610 20 30 CFEDHN CC1(C)[C@@H](c2cccc(F)c2)CCN1C[C@H](O)CC#N ZINC000931258839 649398232 /nfs/dbraw/zinc/39/82/32/649398232.db2.gz YIIDFAQXKPNGKI-HUUCEWRRSA-N 0 3 276.355 2.668 20 30 CFEDHN CC(=O)NC[C@@H]1CCCCN1Cc1c(C)cc(C#N)cc1C ZINC000931338856 649412011 /nfs/dbraw/zinc/41/20/11/649412011.db2.gz UOMVEAYISXXKAN-KRWDZBQOSA-N 0 3 299.418 2.666 20 30 CFEDHN N#Cc1cncc(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000931466642 649434939 /nfs/dbraw/zinc/43/49/39/649434939.db2.gz FKDLBJIWICOZQO-MSOLQXFVSA-N 0 3 293.370 2.651 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000932143322 649550096 /nfs/dbraw/zinc/55/00/96/649550096.db2.gz BBFWKSACEZYCII-CWRNSKLLSA-N 0 3 276.424 2.579 20 30 CFEDHN N#C[C@@H]1CCCN(CCCCCN2CCC[C@H](C#N)C2)C1 ZINC000932153591 649552275 /nfs/dbraw/zinc/55/22/75/649552275.db2.gz ZJUMVJFMCBHUSE-CALCHBBNSA-N 0 3 288.439 2.628 20 30 CFEDHN C=C(C)[C@H](CO)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190732 649561549 /nfs/dbraw/zinc/56/15/49/649561549.db2.gz FTZDJLLBJFAQAI-OCCSQVGLSA-N 0 3 292.448 2.748 20 30 CFEDHN C#CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)C(C)C ZINC000932396107 649593026 /nfs/dbraw/zinc/59/30/26/649593026.db2.gz LGTADEXXJQQKPM-UHFFFAOYSA-N 0 3 286.375 2.561 20 30 CFEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(C3CC3)c(C#N)c2)CCN1C ZINC000932423290 649597222 /nfs/dbraw/zinc/59/72/22/649597222.db2.gz QWNICEADZPEBJO-BZNIZROVSA-N 0 3 298.390 2.650 20 30 CFEDHN C#CCCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932656587 649634395 /nfs/dbraw/zinc/63/43/95/649634395.db2.gz XKKXHKABAMHJSX-UHFFFAOYSA-N 0 3 291.313 2.607 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCC2(CCNC(=O)O2)CC1 ZINC000932760728 649641411 /nfs/dbraw/zinc/64/14/11/649641411.db2.gz UKLHKGIDDFMBKH-ZDUSSCGKSA-N 0 3 299.374 2.584 20 30 CFEDHN C=CC[C@H](NC(=O)[C@@H]1CCCN1C(C)C)c1ccncc1 ZINC000932885899 649656648 /nfs/dbraw/zinc/65/66/48/649656648.db2.gz FWEGYMYGMCGCQX-HOTGVXAUSA-N 0 3 287.407 2.688 20 30 CFEDHN C#CCC1(NCc2nccc(OC)c2OC)CCCCC1 ZINC000933264920 649683816 /nfs/dbraw/zinc/68/38/16/649683816.db2.gz KKPKBLUIVPEIBN-UHFFFAOYSA-N 0 3 288.391 2.915 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCC1 ZINC000933298443 649685720 /nfs/dbraw/zinc/68/57/20/649685720.db2.gz AGPMSKPXLLHCHJ-GFCCVEGCSA-N 0 3 299.374 2.631 20 30 CFEDHN C#CCC1(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)CCC1 ZINC000933300549 649686183 /nfs/dbraw/zinc/68/61/83/649686183.db2.gz ABBQGJLHXWEYSV-NSHDSACASA-N 0 3 292.329 2.827 20 30 CFEDHN C#CCC1(N[C@H](C)C(=O)Nc2ccccc2C(C)=O)CCC1 ZINC000933300452 649686284 /nfs/dbraw/zinc/68/62/84/649686284.db2.gz DZCSXVAZNZIDPU-CYBMUJFWSA-N 0 3 298.386 2.752 20 30 CFEDHN C[C@@H](CCC#N)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933469010 649695358 /nfs/dbraw/zinc/69/53/58/649695358.db2.gz YOXFGVQGVXNUBZ-QWHCGFSZSA-N 0 3 281.400 2.620 20 30 CFEDHN C=C(C)CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933710013 649717016 /nfs/dbraw/zinc/71/70/16/649717016.db2.gz OFDBGFALJRREQO-SNVBAGLBSA-N 0 3 271.286 2.861 20 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20 30 CFEDHN C=CCCN1CCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001007222616 651121810 /nfs/dbraw/zinc/12/18/10/651121810.db2.gz UBBREQPOUHXCQT-NSHDSACASA-N 0 3 282.771 2.703 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007401451 651134771 /nfs/dbraw/zinc/13/47/71/651134771.db2.gz OWNMJPXHMNQGAL-SJORKVTESA-N 0 3 288.435 2.727 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007797611 651139517 /nfs/dbraw/zinc/13/95/17/651139517.db2.gz CBKNHEJNGFHKLE-CQSZACIVSA-N 0 3 299.374 2.598 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008203507 651143469 /nfs/dbraw/zinc/14/34/69/651143469.db2.gz RDWHEEKGHWTOQS-JKSUJKDBSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001008599085 651150445 /nfs/dbraw/zinc/15/04/45/651150445.db2.gz QUPNYCVGQSMPOG-OAHLLOKOSA-N 0 3 297.402 2.938 20 30 CFEDHN C=CCCN1CCC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001008645248 651151608 /nfs/dbraw/zinc/15/16/08/651151608.db2.gz LJUXUJUFYHEMEM-GFCCVEGCSA-N 0 3 293.798 2.505 20 30 CFEDHN C#CCCN1CCC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001008688957 651152143 /nfs/dbraw/zinc/15/21/43/651152143.db2.gz POKSNRKMRHIYGT-AEFFLSMTSA-N 0 3 298.430 2.702 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009402013 651160324 /nfs/dbraw/zinc/16/03/24/651160324.db2.gz MUGOHRZTAFRTGW-QGZVFWFLSA-N 0 3 284.403 2.521 20 30 CFEDHN C=C(C)CCN1CC[C@@H](NC(=O)c2sccc2C)C1 ZINC001009945367 651168348 /nfs/dbraw/zinc/16/83/48/651168348.db2.gz WIEBIVMBZKJUSJ-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001010379166 651174535 /nfs/dbraw/zinc/17/45/35/651174535.db2.gz DZALHPBKIVPNCN-HNNXBMFYSA-N 0 3 262.397 2.644 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014442680 651186465 /nfs/dbraw/zinc/18/64/65/651186465.db2.gz WXZNIFLTGLPCTR-LSDHHAIUSA-N 0 3 276.424 2.723 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001014514899 651187057 /nfs/dbraw/zinc/18/70/57/651187057.db2.gz BCDRSSCJVMLTHU-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2C(C)(C)C)C1 ZINC001014863898 651192976 /nfs/dbraw/zinc/19/29/76/651192976.db2.gz OTKUSOZSGDVDNT-HNNXBMFYSA-N 0 3 298.430 2.812 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001014937353 651194188 /nfs/dbraw/zinc/19/41/88/651194188.db2.gz LGSVMOFCHSGFQP-FUHWJXTLSA-N 0 3 298.430 2.873 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001015690968 651210071 /nfs/dbraw/zinc/21/00/71/651210071.db2.gz YHHQJZJATWTVFW-HNNXBMFYSA-N 0 3 296.414 2.566 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001015737324 651210820 /nfs/dbraw/zinc/21/08/20/651210820.db2.gz GRRCAKMDSJDKJK-AWEZNQCLSA-N 0 3 283.375 2.548 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001015769691 651213280 /nfs/dbraw/zinc/21/32/80/651213280.db2.gz GKULETCDFHNZRO-WBVHZDCISA-N 0 3 286.419 2.865 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001015990003 651219930 /nfs/dbraw/zinc/21/99/30/651219930.db2.gz COAGLYZPILVTCJ-ZDUSSCGKSA-N 0 3 276.380 2.612 20 30 CFEDHN C=CCCN1CC[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001016001076 651220393 /nfs/dbraw/zinc/22/03/93/651220393.db2.gz IAHXDTWYCAUZDC-ZDUSSCGKSA-N 0 3 276.380 2.531 20 30 CFEDHN C#CCCN1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995442 651220433 /nfs/dbraw/zinc/22/04/33/651220433.db2.gz VHXFXOKYNZUOPN-GOSISDBHSA-N 0 3 296.414 2.782 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001016190665 651227450 /nfs/dbraw/zinc/22/74/50/651227450.db2.gz LTVBGKPLDHYSFG-QGZVFWFLSA-N 0 3 286.419 2.613 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001016331191 651230546 /nfs/dbraw/zinc/23/05/46/651230546.db2.gz YZODRXLQQUXCHP-OAHLLOKOSA-N 0 3 295.386 2.615 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016357359 651231529 /nfs/dbraw/zinc/23/15/29/651231529.db2.gz RIAFRGFSNLDRQB-GJZGRUSLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016357357 651231693 /nfs/dbraw/zinc/23/16/93/651231693.db2.gz RIAFRGFSNLDRQB-CABCVRRESA-N 0 3 278.440 2.969 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001016374939 651232003 /nfs/dbraw/zinc/23/20/03/651232003.db2.gz JFXIPLZPRHFSAG-KRWDZBQOSA-N 0 3 298.430 2.713 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433918 651233597 /nfs/dbraw/zinc/23/35/97/651233597.db2.gz SGTAQUNWJDSIJF-INIZCTEOSA-N 0 3 290.451 2.807 20 30 CFEDHN CC#CCN1CCC2(C[C@H]2NC(=O)c2cccc(C)c2)CC1 ZINC001016475920 651235141 /nfs/dbraw/zinc/23/51/41/651235141.db2.gz CHKRKKJOIHQYKZ-QGZVFWFLSA-N 0 3 296.414 2.603 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001017462293 651252249 /nfs/dbraw/zinc/25/22/49/651252249.db2.gz RYASGNFIYYIKEG-GASCZTMLSA-N 0 3 287.407 2.578 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001017518225 651253516 /nfs/dbraw/zinc/25/35/16/651253516.db2.gz NHYOJPPHIKEDRG-CRWXNKLISA-N 0 3 298.377 2.529 20 30 CFEDHN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001017801258 651257956 /nfs/dbraw/zinc/25/79/56/651257956.db2.gz UVESXMSOHSRGRO-YESZJQIVSA-N 0 3 288.435 2.984 20 30 CFEDHN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)C ZINC001018123790 651265012 /nfs/dbraw/zinc/26/50/12/651265012.db2.gz OSSNWFLOHHBQCF-VVLHAWIVSA-N 0 3 290.451 2.920 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC1CC1 ZINC000115901137 651277491 /nfs/dbraw/zinc/27/74/91/651277491.db2.gz ZTOWMEDKXRNARW-LBPRGKRZSA-N 0 3 267.332 2.940 20 30 CFEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCC2CC2)cc1 ZINC000115905291 651277496 /nfs/dbraw/zinc/27/74/96/651277496.db2.gz BIPBLDNIXAPRJN-AWEZNQCLSA-N 0 3 286.331 2.533 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001085867604 782189896 /nfs/dbraw/zinc/18/98/96/782189896.db2.gz QQYXLDMGOOZDQV-HRCADAONSA-N 0 3 276.424 2.531 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085910244 782201974 /nfs/dbraw/zinc/20/19/74/782201974.db2.gz BONYKPBJGMRROD-LSDHHAIUSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085942100 782211812 /nfs/dbraw/zinc/21/18/12/782211812.db2.gz YEYKUYJHEPWVAO-INIZCTEOSA-N 0 3 272.392 2.717 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085953015 782214520 /nfs/dbraw/zinc/21/45/20/782214520.db2.gz QBROTUMTLTUHGE-MRXNPFEDSA-N 0 3 299.418 2.681 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993714 782231101 /nfs/dbraw/zinc/23/11/01/782231101.db2.gz SFZSIENGXLESEC-INIZCTEOSA-N 0 3 290.382 2.879 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001086080137 782256864 /nfs/dbraw/zinc/25/68/64/782256864.db2.gz YVGLCQCXHOUSAZ-TXEJJXNPSA-N 0 3 298.839 2.907 20 30 CFEDHN C=CCN1CCC(N(CCC)C(=O)C[C@H](C)COC)CC1 ZINC001266389850 770064744 /nfs/dbraw/zinc/06/47/44/770064744.db2.gz BOGOKSOJYWTVBQ-HNNXBMFYSA-N 0 3 296.455 2.548 20 30 CFEDHN C=CCN(CCNC(=O)C(C)(C)C1CCC1)C1CC1 ZINC001266604808 770412454 /nfs/dbraw/zinc/41/24/54/770412454.db2.gz RFKDJWXSNCKPBC-UHFFFAOYSA-N 0 3 264.413 2.579 20 30 CFEDHN CC#CCN(C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001267102558 770901335 /nfs/dbraw/zinc/90/13/35/770901335.db2.gz IHIAJJNLGHHQFE-INIZCTEOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033947105 780833941 /nfs/dbraw/zinc/83/39/41/780833941.db2.gz JJOKYNHGRXFYQV-LBPRGKRZSA-N 0 3 295.814 2.781 20 30 CFEDHN CN(Cc1ccsc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402159387 769902169 /nfs/dbraw/zinc/90/21/69/769902169.db2.gz RDQWUWYDBRHQCO-OAHLLOKOSA-N 0 3 272.373 2.785 20 30 CFEDHN C=CC(C)(C)CC(=O)NC[C@@H](C)N(C)C[C@@H]1CCCCO1 ZINC001282390516 769907614 /nfs/dbraw/zinc/90/76/14/769907614.db2.gz YNXKYDIAPWUNSW-CABCVRRESA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCN(C)[C@@H](C)CNC(=O)C1(Cc2ccccc2)CC1 ZINC001282399480 769917810 /nfs/dbraw/zinc/91/78/10/769917810.db2.gz SNKUHWWWQDWZOM-HNNXBMFYSA-N 0 3 286.419 2.632 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001266298723 769931563 /nfs/dbraw/zinc/93/15/63/769931563.db2.gz NPEQYEZVYOVYEC-AWEZNQCLSA-N 0 3 292.810 2.604 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)CC1CCCCCC1 ZINC001266330060 769972238 /nfs/dbraw/zinc/97/22/38/769972238.db2.gz RUHNEYUABNUVCH-UHFFFAOYSA-N 0 3 266.429 2.971 20 30 CFEDHN C=CCN(C)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001266360422 770019729 /nfs/dbraw/zinc/01/97/29/770019729.db2.gz YUTLPAVBWUXQBN-GFCCVEGCSA-N 0 3 280.799 2.678 20 30 CFEDHN C=CCN(CC)CCNC(=O)c1c(C)cc(F)cc1C ZINC001266408703 770102614 /nfs/dbraw/zinc/10/26/14/770102614.db2.gz QKKBVLGNENPSCH-UHFFFAOYSA-N 0 3 278.371 2.680 20 30 CFEDHN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001266496701 770208284 /nfs/dbraw/zinc/20/82/84/770208284.db2.gz WJPYPUOYLQMBAH-VVLHAWIVSA-N 0 3 288.435 2.674 20 30 CFEDHN C/C=C(\C)C(=O)NCCN(CCC)Cc1cccc(C#N)c1 ZINC001266558436 770332001 /nfs/dbraw/zinc/33/20/01/770332001.db2.gz MJDGRGKDRWSURV-PJQLUOCWSA-N 0 3 299.418 2.853 20 30 CFEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001266583064 770382510 /nfs/dbraw/zinc/38/25/10/770382510.db2.gz LLZWOXNQCICWTA-VFPKKSJASA-N 0 3 270.804 2.578 20 30 CFEDHN CN(CCNCc1cccc(C#N)c1)C(=O)CC1CCCC1 ZINC001266631739 770460696 /nfs/dbraw/zinc/46/06/96/770460696.db2.gz IKUMMOACDGVCLU-UHFFFAOYSA-N 0 3 299.418 2.687 20 30 CFEDHN C=C(Cl)CNCCCNC(=O)[C@@H](CCC)C(C)C ZINC001167467114 770577151 /nfs/dbraw/zinc/57/71/51/770577151.db2.gz CHZBAFSBUDBPOW-ZDUSSCGKSA-N 0 3 274.836 2.907 20 30 CFEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)[C@@H](C)n1cccc1 ZINC001283155506 770592639 /nfs/dbraw/zinc/59/26/39/770592639.db2.gz LKOIRIHNRNQAFT-UONOGXRCSA-N 0 3 297.830 2.676 20 30 CFEDHN C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC)CCCCC1 ZINC001111483635 770700795 /nfs/dbraw/zinc/70/07/95/770700795.db2.gz JZFIYJDXIUBQHC-OAGGEKHMSA-N 0 3 288.435 2.702 20 30 CFEDHN CC(C)P(CCNC(=O)C(C)(C)C#N)C(C)C ZINC001143408078 770708328 /nfs/dbraw/zinc/70/83/28/770708328.db2.gz RAEKAGHOTHRZLY-UHFFFAOYSA-N 0 3 256.330 2.951 20 30 CFEDHN CC#CCNCCN(C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC001266966632 770776536 /nfs/dbraw/zinc/77/65/36/770776536.db2.gz YJOLXNIXMLCGIR-LLVKDONJSA-N 0 3 298.839 2.576 20 30 CFEDHN C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C[C@H](F)CC ZINC001279555518 770804386 /nfs/dbraw/zinc/80/43/86/770804386.db2.gz NMFLIEQAGNFNPO-BZUAXINKSA-N 0 3 294.414 2.603 20 30 CFEDHN C[C@H]1CC[C@@H](C(=O)NCCCNCc2ccccc2C#N)C1 ZINC001167598445 770963782 /nfs/dbraw/zinc/96/37/82/770963782.db2.gz YXZFRQXONSKXRE-LSDHHAIUSA-N 0 3 299.418 2.590 20 30 CFEDHN C=C(C)CN(C)CCNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001267233527 773236299 /nfs/dbraw/zinc/23/62/99/773236299.db2.gz VMARONKYUNNPSH-INIZCTEOSA-N 0 3 288.435 2.798 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CNC(=O)CC(CC)CC ZINC001276950579 775125258 /nfs/dbraw/zinc/12/52/58/775125258.db2.gz YBSBTGMUZHJOMA-HNNXBMFYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001267268005 775126904 /nfs/dbraw/zinc/12/69/04/775126904.db2.gz VEMMBDRKUOWNKM-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C1CC(C)(C(=O)NC[C@@H]2CCN(C[C@@H](F)CC)C2)C1 ZINC001267302292 775173642 /nfs/dbraw/zinc/17/36/42/775173642.db2.gz ONMXISHVRLXIJR-KBPBESRZSA-N 0 3 282.403 2.529 20 30 CFEDHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001267307279 775182105 /nfs/dbraw/zinc/18/21/05/775182105.db2.gz PKOHUIYPTTVTIK-HOTGVXAUSA-N 0 3 278.440 2.520 20 30 CFEDHN C=C1CC(C)(C(=O)NCC2CCN(C[C@@H](F)CC)CC2)C1 ZINC001224476967 775198240 /nfs/dbraw/zinc/19/82/40/775198240.db2.gz OLYMKZQAECBYJP-HNNXBMFYSA-N 0 3 296.430 2.919 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cscc1C ZINC001038143880 775221763 /nfs/dbraw/zinc/22/17/63/775221763.db2.gz ITVLOIFWYUWTKA-CYBMUJFWSA-N 0 3 278.421 2.827 20 30 CFEDHN C=C(C)CN(CCNC(=O)Cc1ccc(C)s1)C1CC1 ZINC001267338077 775223401 /nfs/dbraw/zinc/22/34/01/775223401.db2.gz OMWRAYIDPVXCJX-UHFFFAOYSA-N 0 3 292.448 2.756 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001276986716 775232306 /nfs/dbraw/zinc/23/23/06/775232306.db2.gz YVCJLZRNZHHZBN-CQSZACIVSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267350944 775240957 /nfs/dbraw/zinc/24/09/57/775240957.db2.gz LOVCGZIQIZXQCC-WBVHZDCISA-N 0 3 284.403 2.976 20 30 CFEDHN CN1CCCC[C@@H]1CO[C@H](C#N)c1ccccc1F ZINC001224707805 775255133 /nfs/dbraw/zinc/25/51/33/775255133.db2.gz SZXQHZUSXAYCTO-IUODEOHRSA-N 0 3 262.328 2.891 20 30 CFEDHN C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC(F)(F)C1 ZINC001267397127 775313178 /nfs/dbraw/zinc/31/31/78/775313178.db2.gz MOTXAOOPOXRXBK-OKILXGFUSA-N 0 3 298.377 2.673 20 30 CFEDHN C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001267418048 775316623 /nfs/dbraw/zinc/31/66/23/775316623.db2.gz XIYOFWXNDOQIPF-IYBDPMFKSA-N 0 3 294.414 2.605 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)CSC)C1 ZINC001267454414 775333036 /nfs/dbraw/zinc/33/30/36/775333036.db2.gz NKIGJLKDUWPSSE-HUUCEWRRSA-N 0 3 298.496 2.875 20 30 CFEDHN N#Cc1ccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001225247647 775378504 /nfs/dbraw/zinc/37/85/04/775378504.db2.gz QMKOLKWZSSRQEA-WOVMCDHWSA-N 0 3 286.375 2.580 20 30 CFEDHN O=c1ccc2c([nH]1)CCC[C@@H]2NCC#Cc1ccccc1 ZINC000892490555 775387023 /nfs/dbraw/zinc/38/70/23/775387023.db2.gz VPMZWVOBZGQJAZ-INIZCTEOSA-N 0 3 278.355 2.806 20 30 CFEDHN C#CCCN1CC[C@H](N(CCC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267495656 775391462 /nfs/dbraw/zinc/39/14/62/775391462.db2.gz FDOXNZMBWCDMAG-WBVHZDCISA-N 0 3 290.451 2.759 20 30 CFEDHN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001111933826 775401528 /nfs/dbraw/zinc/40/15/28/775401528.db2.gz AAILLLNHFWQTFZ-RYRKJORJSA-N 0 3 290.451 2.663 20 30 CFEDHN C=CCN[C@H](CNC(=O)c1ccccc1O)c1ccccc1 ZINC001267516886 775409481 /nfs/dbraw/zinc/40/94/81/775409481.db2.gz KAOHULAYCDPNDX-MRXNPFEDSA-N 0 3 296.370 2.639 20 30 CFEDHN C#CCCN[C@@H](CNC(=O)[C@@H](C)CC)c1ccccc1 ZINC001267518094 775412932 /nfs/dbraw/zinc/41/29/32/775412932.db2.gz XHHDWXPQPJWUCN-HOCLYGCPSA-N 0 3 272.392 2.503 20 30 CFEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CC[C@@H]1CCCO1 ZINC000122105413 775513989 /nfs/dbraw/zinc/51/39/89/775513989.db2.gz MTPFXZMADSHIRI-STQMWFEESA-N 0 3 297.358 2.709 20 30 CFEDHN Cc1c(Cl)cnc(-n2nc(CN)c3ccccc32)c1C#N ZINC001167697409 775523720 /nfs/dbraw/zinc/52/37/20/775523720.db2.gz XXKNNPDKMVGLBU-UHFFFAOYSA-N 0 3 297.749 2.713 20 30 CFEDHN COc1ccc(-n2nc(CN)c3ccccc32)c(CC#N)c1 ZINC001167697917 775527878 /nfs/dbraw/zinc/52/78/78/775527878.db2.gz IBBSXSQKUCCENH-UHFFFAOYSA-N 0 3 292.342 2.559 20 30 CFEDHN NCc1nn(-c2ccc(CS)cc2)c2ccccc12 ZINC001167699792 775531562 /nfs/dbraw/zinc/53/15/62/775531562.db2.gz AFRWSSYWBUUYJY-UHFFFAOYSA-N 0 3 269.373 2.914 20 30 CFEDHN N#Cc1ncccc1OC1CCN(Cc2ccccc2)CC1 ZINC001225671202 775551105 /nfs/dbraw/zinc/55/11/05/775551105.db2.gz RYSNIYGCAAQGEC-UHFFFAOYSA-N 0 3 293.370 2.997 20 30 CFEDHN N#Cc1cc(Cl)cc(O[C@@H]2CN3CCC2CC3)c1 ZINC001225697502 775562231 /nfs/dbraw/zinc/56/22/31/775562231.db2.gz JIIQCHQRULMQPJ-CQSZACIVSA-N 0 3 262.740 2.685 20 30 CFEDHN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC ZINC001025191472 775563976 /nfs/dbraw/zinc/56/39/76/775563976.db2.gz JHVYIFWKTYWQOY-HZPDHXFCSA-N 0 3 276.424 2.655 20 30 CFEDHN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025288894 775588398 /nfs/dbraw/zinc/58/83/98/775588398.db2.gz MDFLNHMKZRCLJK-CABCVRRESA-N 0 3 276.424 2.511 20 30 CFEDHN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292070 775588616 /nfs/dbraw/zinc/58/86/16/775588616.db2.gz FTOPZTUOPSMRGS-JKSUJKDBSA-N 0 3 290.451 2.901 20 30 CFEDHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C)C1 ZINC001025312950 775596090 /nfs/dbraw/zinc/59/60/90/775596090.db2.gz QPASTFNMADBGEJ-KGLIPLIRSA-N 0 3 290.432 2.520 20 30 CFEDHN C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025389614 775636349 /nfs/dbraw/zinc/63/63/49/775636349.db2.gz YBGHGAZIHXTHIQ-DOTOQJQBSA-N 0 3 288.435 2.727 20 30 CFEDHN CC(C)[N@@H+]1CCC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113770 775704057 /nfs/dbraw/zinc/70/40/57/775704057.db2.gz ACIXAUZGIMGPHG-BMANGOCTSA-N 0 3 262.353 2.746 20 30 CFEDHN CC(C)[N@H+]1CCC[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113770 775704066 /nfs/dbraw/zinc/70/40/66/775704066.db2.gz ACIXAUZGIMGPHG-BMANGOCTSA-N 0 3 262.353 2.746 20 30 CFEDHN COc1ccccc1CCN1CCC[C@H](CC#N)C1 ZINC001207456229 775769762 /nfs/dbraw/zinc/76/97/62/775769762.db2.gz LACOBXSKKXVJDQ-CQSZACIVSA-N 0 3 258.365 2.863 20 30 CFEDHN C=CC(C)(C)C(=O)NCC1CN(CC/C=C/CC)C1 ZINC001267687689 775778972 /nfs/dbraw/zinc/77/89/72/775778972.db2.gz KVJIXVPLSUGVOV-BQYQJAHWSA-N 0 3 264.413 2.603 20 30 CFEDHN C=CCCCCCN1CC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001267717881 775806779 /nfs/dbraw/zinc/80/67/79/775806779.db2.gz OHTQILQZTWPYPY-AWEZNQCLSA-N 0 3 291.395 2.534 20 30 CFEDHN C=C(C)CN1CC[C@@H](NC(=O)C(CCC)CCC)C1 ZINC001267747678 775870926 /nfs/dbraw/zinc/87/09/26/775870926.db2.gz ACJBNSOFUSIKIG-OAHLLOKOSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCCCN1CC[C@H](N(C)C(=O)c2sccc2F)C1 ZINC001267761058 775889908 /nfs/dbraw/zinc/88/99/08/775889908.db2.gz AISSPUZWINFEKN-LBPRGKRZSA-N 0 3 296.411 3.000 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001267776607 775918747 /nfs/dbraw/zinc/91/87/47/775918747.db2.gz LNNSPUVPAMXMQY-HUUCEWRRSA-N 0 3 290.407 2.882 20 30 CFEDHN N#Cc1cncc(OC2CCN(Cc3ccccc3)CC2)c1 ZINC001226685229 775919840 /nfs/dbraw/zinc/91/98/40/775919840.db2.gz VHKPTLHZGUSEMT-UHFFFAOYSA-N 0 3 293.370 2.997 20 30 CFEDHN C=CCN1CC[C@H]2CCN(C(=O)C(C3CC3)C3CC3)C[C@H]21 ZINC001042302019 775953472 /nfs/dbraw/zinc/95/34/72/775953472.db2.gz PMLOQVNUENOFHC-XJKSGUPXSA-N 0 3 288.435 2.531 20 30 CFEDHN C#CCCCCC(=O)N[C@@]1(CNCCF)CCCC[C@H]1C ZINC001267867555 776000005 /nfs/dbraw/zinc/00/00/05/776000005.db2.gz UWCAXQKXWZQXKU-NVXWUHKLSA-N 0 3 296.430 2.804 20 30 CFEDHN CC#CCNCc1ccc(CNC(=O)c2coc(C)c2)cc1 ZINC001267936547 776067394 /nfs/dbraw/zinc/06/73/94/776067394.db2.gz PRAZYYZTGMPWJE-UHFFFAOYSA-N 0 3 296.370 2.631 20 30 CFEDHN C=CCn1cc(-c2ccc(OC)c(CN(C)C)c2)cn1 ZINC001222400061 776134308 /nfs/dbraw/zinc/13/43/08/776134308.db2.gz ADPFENCLEIXYJV-UHFFFAOYSA-N 0 3 271.364 2.806 20 30 CFEDHN CC#CCNC1(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC001277209579 776203835 /nfs/dbraw/zinc/20/38/35/776203835.db2.gz QKNAJWMUUAYGHT-WKILWMFISA-N 0 3 290.451 2.711 20 30 CFEDHN CC#CCNC1(CNC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001277217941 776224424 /nfs/dbraw/zinc/22/44/24/776224424.db2.gz NXYJPMBVSCCRLO-CQSZACIVSA-N 0 3 278.440 2.711 20 30 CFEDHN CC(C)(C)C(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001027184329 776234087 /nfs/dbraw/zinc/23/40/87/776234087.db2.gz LMXABFSVXPRPRE-CQSZACIVSA-N 0 3 299.418 2.542 20 30 CFEDHN CN(Cc1csc(C#N)c1)C[C@@H]1CCCC[C@H]1O ZINC000893405157 776236398 /nfs/dbraw/zinc/23/63/98/776236398.db2.gz BVLYBYSDSYZRHD-GXTWGEPZSA-N 0 3 264.394 2.603 20 30 CFEDHN C#CCNC1(CNC(=O)CC(C)(C)C2CCCCC2)CC1 ZINC001277224848 776236985 /nfs/dbraw/zinc/23/69/85/776236985.db2.gz LZVUSYNCTFAJEC-UHFFFAOYSA-N 0 3 290.451 2.855 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2sccc2Cl)C1 ZINC001027423071 776318508 /nfs/dbraw/zinc/31/85/08/776318508.db2.gz TVIYUUJYNQIFDR-LLVKDONJSA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC001027445227 776322607 /nfs/dbraw/zinc/32/26/07/776322607.db2.gz DZKCORVJISQSLV-INIZCTEOSA-N 0 3 290.451 2.903 20 30 CFEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cscc2Cl)C1 ZINC001027454613 776324302 /nfs/dbraw/zinc/32/43/02/776324302.db2.gz MKFKWAPJQNXNIA-NSHDSACASA-N 0 3 296.823 2.571 20 30 CFEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001027556183 776357168 /nfs/dbraw/zinc/35/71/68/776357168.db2.gz YYHALLXEYIMCEG-OAHLLOKOSA-N 0 3 276.424 2.513 20 30 CFEDHN C=CCCN1CCC[C@@H]1CNC(=O)c1cccs1 ZINC001027732130 776433750 /nfs/dbraw/zinc/43/37/50/776433750.db2.gz JDNWYZRIDFWFOY-GFCCVEGCSA-N 0 3 264.394 2.518 20 30 CFEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001027749512 776439494 /nfs/dbraw/zinc/43/94/94/776439494.db2.gz XQDRDLZRSRHQDN-CQSZACIVSA-N 0 3 276.380 2.667 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027894090 776496405 /nfs/dbraw/zinc/49/64/05/776496405.db2.gz HSLLPYKVBVJFCM-LTIDMASMSA-N 0 3 288.435 2.745 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027904491 776502170 /nfs/dbraw/zinc/50/21/70/776502170.db2.gz UUGRLYVDRRVRDA-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001027905236 776502413 /nfs/dbraw/zinc/50/24/13/776502413.db2.gz VENCJJNAZLMXDA-MRXNPFEDSA-N 0 3 298.430 2.946 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cn(C)c2ccccc12 ZINC001028010096 776554799 /nfs/dbraw/zinc/55/47/99/776554799.db2.gz SOFQCRQPOKPKIS-CQSZACIVSA-N 0 3 297.402 2.559 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028021134 776561038 /nfs/dbraw/zinc/56/10/38/776561038.db2.gz IUYWEROTSIIMGU-RRFJBIMHSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043097 776568865 /nfs/dbraw/zinc/56/88/65/776568865.db2.gz GIEABMMBASALSD-NXOAAHMSSA-N 0 3 290.451 2.969 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001028052854 776573691 /nfs/dbraw/zinc/57/36/91/776573691.db2.gz OEHNOJGYYXBVEI-ZDUSSCGKSA-N 0 3 291.395 2.568 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001028088985 776606414 /nfs/dbraw/zinc/60/64/14/776606414.db2.gz SKFJIOGMGIYJTG-HNNXBMFYSA-N 0 3 289.423 2.758 20 30 CFEDHN C#CCCN1CCC[C@@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001268112285 776611129 /nfs/dbraw/zinc/61/11/29/776611129.db2.gz MDGANIGKCLVKQA-NVXWUHKLSA-N 0 3 278.440 2.807 20 30 CFEDHN C#C[C@@H]1CCC[C@@H]1Oc1ccc2c(c1)CCN(C)C2 ZINC001228944018 776666707 /nfs/dbraw/zinc/66/67/07/776666707.db2.gz JYSJAZUZKLORRT-DYVFJYSZSA-N 0 3 255.361 2.855 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001028162605 776672754 /nfs/dbraw/zinc/67/27/54/776672754.db2.gz JTSFPKBXIXGJNO-ZDUSSCGKSA-N 0 3 286.366 2.579 20 30 CFEDHN Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)cc1C#N ZINC001139729365 776683848 /nfs/dbraw/zinc/68/38/48/776683848.db2.gz XZKQKURHERJWQX-HOCLYGCPSA-N 0 3 268.360 2.668 20 30 CFEDHN C=CCCC(=O)N[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC001268169604 776685762 /nfs/dbraw/zinc/68/57/62/776685762.db2.gz KDGOJIIPQRKDDD-ZDUSSCGKSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN(C)CCN(C)C(=O)c1c(C)cccc1Cl ZINC001268247942 776720684 /nfs/dbraw/zinc/72/06/84/776720684.db2.gz WXDDSUKNWDYXQX-UHFFFAOYSA-N 0 3 280.799 2.838 20 30 CFEDHN C=C(C)CN(C)CCN(C)C(=O)[C@H](C)[C@H](C)CC ZINC001268252544 776722064 /nfs/dbraw/zinc/72/20/64/776722064.db2.gz UIOGHSVATLIKDL-ZIAGYGMSSA-N 0 3 254.418 2.635 20 30 CFEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028245372 776746917 /nfs/dbraw/zinc/74/69/17/776746917.db2.gz RJCOCDROHQYSOI-KRWDZBQOSA-N 0 3 295.386 2.615 20 30 CFEDHN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001268403854 776787939 /nfs/dbraw/zinc/78/79/39/776787939.db2.gz MGFKGKKVXFMADS-JJRVBVJISA-N 0 3 299.418 2.589 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001028277845 776791705 /nfs/dbraw/zinc/79/17/05/776791705.db2.gz XBXHDTBIYTXZLT-ZDUSSCGKSA-N 0 3 293.798 2.505 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280504 776800314 /nfs/dbraw/zinc/80/03/14/776800314.db2.gz NUDOBEMVKOHBCZ-INIZCTEOSA-N 0 3 272.392 2.765 20 30 CFEDHN C=C(C)CN1CCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001028318009 776853489 /nfs/dbraw/zinc/85/34/89/776853489.db2.gz NPNCNBFVQBKDQX-HNNXBMFYSA-N 0 3 289.423 2.839 20 30 CFEDHN C=CCCN1CCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001028346746 776865367 /nfs/dbraw/zinc/86/53/67/776865367.db2.gz FSJIVUZBCDEOLP-NSHDSACASA-N 0 3 282.384 2.658 20 30 CFEDHN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028345403 776866542 /nfs/dbraw/zinc/86/65/42/776866542.db2.gz GWLCPTZVZIBRNL-OAHLLOKOSA-N 0 3 284.403 2.556 20 30 CFEDHN C=C(C)C(=O)OC[C@@H](C)Oc1ccccc1CN(C)C ZINC001229699791 776874751 /nfs/dbraw/zinc/87/47/51/776874751.db2.gz SEINUCBOYUXQEZ-CYBMUJFWSA-N 0 3 277.364 2.635 20 30 CFEDHN C#CCNCCN(CC)C(=O)c1cccc(Cl)c1Cl ZINC001268494320 776895365 /nfs/dbraw/zinc/89/53/65/776895365.db2.gz SKLJHMWSAFVJJZ-UHFFFAOYSA-N 0 3 299.201 2.678 20 30 CFEDHN C=CCN1CCC(NC(=O)CC(C2CC2)C2CC2)CC1 ZINC001230381987 776988286 /nfs/dbraw/zinc/98/82/86/776988286.db2.gz LPQASXDRICBMRM-UHFFFAOYSA-N 0 3 276.424 2.579 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)C1CC1 ZINC001230557225 777012969 /nfs/dbraw/zinc/01/29/69/777012969.db2.gz SMLJCVHAKFFZRV-HNNXBMFYSA-N 0 3 266.429 2.900 20 30 CFEDHN CCCCCCCN1CC[C@H]1CN(C)C(=O)CCOC ZINC001230571020 777017110 /nfs/dbraw/zinc/01/71/10/777017110.db2.gz AFGSFBPEUJCHSF-HNNXBMFYSA-N 0 3 284.444 2.526 20 30 CFEDHN C=CCC[C@H](C)N1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230598989 777024185 /nfs/dbraw/zinc/02/41/85/777024185.db2.gz DPQSOSGVILSTMO-STQMWFEESA-N 0 3 270.392 2.622 20 30 CFEDHN C=CCN(C)C[C@H](C)NC(=O)CCc1ccc(C)cc1C ZINC001268738211 777038664 /nfs/dbraw/zinc/03/86/64/777038664.db2.gz FVOLGNPLWXHIPV-INIZCTEOSA-N 0 3 288.435 2.859 20 30 CFEDHN C#CCCN1CC(CNC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001268883252 777069504 /nfs/dbraw/zinc/06/95/04/777069504.db2.gz FEPBPXHIVRQZBJ-MRXNPFEDSA-N 0 3 298.430 2.642 20 30 CFEDHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001268969766 777080473 /nfs/dbraw/zinc/08/04/73/777080473.db2.gz JXCGZBOLRGIWPG-AGIUHOORSA-N 0 3 286.366 2.529 20 30 CFEDHN C=C(C)CN1C[C@@H]2CCN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001075683701 777084851 /nfs/dbraw/zinc/08/48/51/777084851.db2.gz HPUAJRVBXGUTNA-LSDHHAIUSA-N 0 3 292.398 2.893 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(CC=C(C)C)C2)CCC1 ZINC001269060917 777095370 /nfs/dbraw/zinc/09/53/70/777095370.db2.gz BQNMKCKXWRTGEZ-HNNXBMFYSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001269069103 777095977 /nfs/dbraw/zinc/09/59/77/777095977.db2.gz IGYCQYDCOFBEMC-RDJZCZTQSA-N 0 3 290.451 2.807 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)CCC(C)C ZINC001269194583 777135791 /nfs/dbraw/zinc/13/57/91/777135791.db2.gz JLBPVWVORUVZGB-AWEZNQCLSA-N 0 3 252.402 2.579 20 30 CFEDHN CCCCCCCN1CC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001269215108 777141667 /nfs/dbraw/zinc/14/16/67/777141667.db2.gz NGQCKRCXJYLKRN-HZPDHXFCSA-N 0 3 296.455 2.716 20 30 CFEDHN C=CCCCCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)OC ZINC001231112327 777144320 /nfs/dbraw/zinc/14/43/20/777144320.db2.gz BGCQOQLPEBVQHI-HZPDHXFCSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCCN1CC[C@@H]1CNC(=O)CCCc1ccsc1 ZINC001269249889 777150086 /nfs/dbraw/zinc/15/00/86/777150086.db2.gz WFNBKTGOYBIROG-OAHLLOKOSA-N 0 3 292.448 2.837 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001269254527 777151202 /nfs/dbraw/zinc/15/12/02/777151202.db2.gz BCCXBXBEINFCEC-HZPDHXFCSA-N 0 3 276.424 2.890 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001269254526 777151387 /nfs/dbraw/zinc/15/13/87/777151387.db2.gz BCCXBXBEINFCEC-HOTGVXAUSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001269269349 777154206 /nfs/dbraw/zinc/15/42/06/777154206.db2.gz YRETWYPAGVKRRG-CQSZACIVSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)C/C=C(/C)C=C ZINC001269273251 777155533 /nfs/dbraw/zinc/15/55/33/777155533.db2.gz UKUROSSJQOODJJ-CKNOQMABSA-N 0 3 262.397 2.666 20 30 CFEDHN C=CCC[C@@H](C)N1CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001269279242 777157214 /nfs/dbraw/zinc/15/72/14/777157214.db2.gz XOLICZMPQHHUCY-HIFRSBDPSA-N 0 3 278.440 2.968 20 30 CFEDHN C=CCCC(=O)N(C)C[C@@H]1CCN1CC1CC(F)(F)C1 ZINC001231169375 777162795 /nfs/dbraw/zinc/16/27/95/777162795.db2.gz GUGQBVQQXNMBNA-ZDUSSCGKSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCCC(=O)N(C)C[C@H]1CCN1CC1CC(F)(F)C1 ZINC001231169363 777163094 /nfs/dbraw/zinc/16/30/94/777163094.db2.gz GUGQBVQQXNMBNA-CYBMUJFWSA-N 0 3 286.366 2.531 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@@H]1CCN1CC1CC(C)C1 ZINC001269309195 777164438 /nfs/dbraw/zinc/16/44/38/777164438.db2.gz FWWAKRIQJHKSEM-NRXISQOPSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN1CC[C@H](N(CC)C(=O)/C=C\c2ccco2)C1 ZINC001269307854 777165956 /nfs/dbraw/zinc/16/59/56/777165956.db2.gz YDSOHPUWEVDORQ-LZNQSLFOSA-N 0 3 288.391 2.792 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)CC(C)(C)C)C1 ZINC001269306692 777165997 /nfs/dbraw/zinc/16/59/97/777165997.db2.gz IUCCUDSBQGFOPQ-ZDUSSCGKSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCCCN1CC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001269326720 777169051 /nfs/dbraw/zinc/16/90/51/777169051.db2.gz NBMKHSDJNZGZBQ-AWEZNQCLSA-N 0 3 264.413 2.723 20 30 CFEDHN C=CCCCN1CC[C@@H]1CNC(=O)CCc1ccccc1 ZINC001269336622 777174186 /nfs/dbraw/zinc/17/41/86/777174186.db2.gz DJLWYGNSYYPENU-QGZVFWFLSA-N 0 3 286.419 2.776 20 30 CFEDHN C=CCN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001269348320 777175228 /nfs/dbraw/zinc/17/52/28/777175228.db2.gz JPTTYWALYFRTPN-GJZGRUSLSA-N 0 3 290.407 2.882 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](C)CCC ZINC001231262951 777180206 /nfs/dbraw/zinc/18/02/06/777180206.db2.gz IMJRWZDVVVHJCU-CABCVRRESA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](CC)NCc1ccccn1 ZINC001269478096 777195984 /nfs/dbraw/zinc/19/59/84/777195984.db2.gz ZTNOLRXULMVMLL-AWEZNQCLSA-N 0 3 289.423 2.668 20 30 CFEDHN C#CCN1CCC[C@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001269692510 777231837 /nfs/dbraw/zinc/23/18/37/777231837.db2.gz MBZSIYVLQMZZMW-SFHVURJKSA-N 0 3 290.451 2.760 20 30 CFEDHN C#CCCCC(=O)N1CCC[C@@H](CCNCC(=C)Cl)C1 ZINC001269722774 777237288 /nfs/dbraw/zinc/23/72/88/777237288.db2.gz BMXVDTUGSHKVTM-HNNXBMFYSA-N 0 3 296.842 2.761 20 30 CFEDHN N#CC[C@H]1CCCN(Cc2c[nH]c3cnccc23)C1 ZINC001231518893 777248176 /nfs/dbraw/zinc/24/81/76/777248176.db2.gz POHBDHZWGLJRML-GFCCVEGCSA-N 0 3 254.337 2.689 20 30 CFEDHN C#CCN1CC[C@]2(CCN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001277537557 777265049 /nfs/dbraw/zinc/26/50/49/777265049.db2.gz GZLXUQUHBPHWGP-WMZOPIPTSA-N 0 3 290.451 2.616 20 30 CFEDHN C#Cc1cccc(CN2CCC(N3CCCCC3=O)CC2)c1 ZINC001231662623 777300216 /nfs/dbraw/zinc/30/02/16/777300216.db2.gz IPUKJKFUWTVVNS-UHFFFAOYSA-N 0 3 296.414 2.645 20 30 CFEDHN C=CCCCC(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001270336057 777358466 /nfs/dbraw/zinc/35/84/66/777358466.db2.gz KQFWQZTXRBWRIE-UHFFFAOYSA-N 0 3 282.403 2.627 20 30 CFEDHN C=CCCC(=O)NC[C@H](C)CNCc1c(F)cccc1F ZINC001270371536 777363968 /nfs/dbraw/zinc/36/39/68/777363968.db2.gz IKLDHBCRVKBWJC-GFCCVEGCSA-N 0 3 296.361 2.773 20 30 CFEDHN C#CCN1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)CC)C2 ZINC001270512004 777397018 /nfs/dbraw/zinc/39/70/18/777397018.db2.gz FVRISQZSAKQRSY-SJLPKXTDSA-N 0 3 290.451 2.760 20 30 CFEDHN C=C(C)CN1CC[C@@](C)(NC(=O)CC2CC(C)(C)C2)C1 ZINC001270624108 777427101 /nfs/dbraw/zinc/42/71/01/777427101.db2.gz OACDJMDMWRACEW-QGZVFWFLSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001270648476 777440324 /nfs/dbraw/zinc/44/03/24/777440324.db2.gz HVEXRCYZBNCGIU-AAEUAGOBSA-N 0 3 292.345 2.732 20 30 CFEDHN C=CCN1CC[C@](C)(NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001270659688 777444656 /nfs/dbraw/zinc/44/46/56/777444656.db2.gz WAUDPRADEWNRDQ-SFHVURJKSA-N 0 3 286.419 2.613 20 30 CFEDHN CN1CCN(Cc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC001232116770 777445734 /nfs/dbraw/zinc/44/57/34/777445734.db2.gz PGZOHJWSGFPGPD-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1CC ZINC001087489069 777499270 /nfs/dbraw/zinc/49/92/70/777499270.db2.gz FIGDGYVZHNQDGP-UONOGXRCSA-N 0 3 290.432 2.663 20 30 CFEDHN C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001087503507 777542770 /nfs/dbraw/zinc/54/27/70/777542770.db2.gz JQFOZSYDICMWND-LSDHHAIUSA-N 0 3 288.391 2.551 20 30 CFEDHN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001087503507 777542773 /nfs/dbraw/zinc/54/27/73/777542773.db2.gz JQFOZSYDICMWND-LSDHHAIUSA-N 0 3 288.391 2.551 20 30 CFEDHN Cc1ncc(CN2CCC[C@H](Oc3ccccc3C#N)C2)[nH]1 ZINC001232464391 777570314 /nfs/dbraw/zinc/57/03/14/777570314.db2.gz BXFYOKAPKJBYAL-INIZCTEOSA-N 0 3 296.374 2.633 20 30 CFEDHN CN(CC/C=C/c1cccnc1)Cc1cc(C#N)ccn1 ZINC001232480464 777576211 /nfs/dbraw/zinc/57/62/11/777576211.db2.gz XVYMYBKBXBCGNX-GORDUTHDSA-N 0 3 278.359 2.884 20 30 CFEDHN C=C[C@H](CC)CC(=O)N(C)[C@@H](C)CNCc1ccns1 ZINC001271075072 777643669 /nfs/dbraw/zinc/64/36/69/777643669.db2.gz KITJBXVFXXYJMD-QWHCGFSZSA-N 0 3 295.452 2.682 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H](C)CNC[C@H](F)CC)CCC1 ZINC001271093663 777648415 /nfs/dbraw/zinc/64/84/15/777648415.db2.gz RBEHBOQLWJRKDE-ZIAGYGMSSA-N 0 3 284.419 2.917 20 30 CFEDHN C#CCCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1CC ZINC001087555290 777651552 /nfs/dbraw/zinc/65/15/52/777651552.db2.gz YVHZNROYGIPNLK-QWHCGFSZSA-N 0 3 294.782 2.539 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087619925 777668448 /nfs/dbraw/zinc/66/84/48/777668448.db2.gz JWBNRUUQRIEMRM-AEGPPILISA-N 0 3 264.413 2.578 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1CC ZINC001087654181 777672419 /nfs/dbraw/zinc/67/24/19/777672419.db2.gz OGGNLZPSWKVFHL-APIJFGDWSA-N 0 3 278.440 2.824 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1CC ZINC001087706956 777683745 /nfs/dbraw/zinc/68/37/45/777683745.db2.gz ULNVPHZANXLESD-DLBZAZTESA-N 0 3 297.402 2.937 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccco2)[C@H]1CC ZINC001087722329 777687461 /nfs/dbraw/zinc/68/74/61/777687461.db2.gz ADWUIIHWPQUHKN-HZSPNIEDSA-N 0 3 276.380 2.538 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](COCC3CC3)C2)s1 ZINC001232846360 777691512 /nfs/dbraw/zinc/69/15/12/777691512.db2.gz GJYHIXRYYHTNDZ-ZDUSSCGKSA-N 0 3 276.405 2.868 20 30 CFEDHN Cc1ccc(CN2CCC[C@](C)(O)[C@@H](C)C2)c(C#N)c1 ZINC001232963857 777740756 /nfs/dbraw/zinc/74/07/56/777740756.db2.gz NJPPPFPXFGXYNZ-YOEHRIQHSA-N 0 3 272.392 2.850 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC ZINC001029456414 777743910 /nfs/dbraw/zinc/74/39/10/777743910.db2.gz ANOCQVBXESDHSC-LZWOXQAQSA-N 0 3 264.413 2.674 20 30 CFEDHN CCN(C(C)=O)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC001233083477 777792945 /nfs/dbraw/zinc/79/29/45/777792945.db2.gz MMJOKNBBKFRVNF-UHFFFAOYSA-N 0 3 299.418 2.700 20 30 CFEDHN C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001277759183 777793763 /nfs/dbraw/zinc/79/37/63/777793763.db2.gz HFKUMUUMMMVEQI-ZIAGYGMSSA-N 0 3 290.407 2.797 20 30 CFEDHN CCCCN(C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096811 777795686 /nfs/dbraw/zinc/79/56/86/777795686.db2.gz LNTTXDREXCIHLF-UHFFFAOYSA-N 0 3 263.360 2.995 20 30 CFEDHN C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC)c1ccccc1 ZINC001029594717 777878303 /nfs/dbraw/zinc/87/83/03/777878303.db2.gz UVIXZKZCTVEZRF-IXDOHACOSA-N 0 3 284.403 2.651 20 30 CFEDHN C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC001271566185 777886670 /nfs/dbraw/zinc/88/66/70/777886670.db2.gz NQQXJBRTSRMIQS-UBHSHLNASA-N 0 3 284.831 2.756 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCCCN(C(=O)CCC)C1 ZINC001088249897 777920644 /nfs/dbraw/zinc/92/06/44/777920644.db2.gz DUZDJCKSYZECCU-CYBMUJFWSA-N 0 3 272.820 2.900 20 30 CFEDHN C#CCNCCN(Cc1ccccc1)C(=O)/C=C(/C)C1CC1 ZINC001271797802 777976307 /nfs/dbraw/zinc/97/63/07/777976307.db2.gz RXEKBWBUTKCYNE-PEZBUJJGSA-N 0 3 296.414 2.594 20 30 CFEDHN C#CCNCCN(Cc1ccccc1)C(=O)C[C@@H]1C=CCC1 ZINC001271796489 777977032 /nfs/dbraw/zinc/97/70/32/777977032.db2.gz DROVRTFIZDRBNU-QGZVFWFLSA-N 0 3 296.414 2.594 20 30 CFEDHN CCN1CCC(Oc2ccccc2C(=O)CC#N)CC1 ZINC001233523352 777978102 /nfs/dbraw/zinc/97/81/02/777978102.db2.gz YLRUQDVODNSUJQ-UHFFFAOYSA-N 0 3 272.348 2.646 20 30 CFEDHN CCN1CCC(Oc2ccc(C(=O)CC#N)cc2)CC1 ZINC001233526828 777979551 /nfs/dbraw/zinc/97/95/51/777979551.db2.gz UPTDTSGAAYTRJL-UHFFFAOYSA-N 0 3 272.348 2.646 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(CCN(C)C)CC(C)C ZINC001233603130 778008284 /nfs/dbraw/zinc/00/82/84/778008284.db2.gz AJULXUQWTDHBKT-UHFFFAOYSA-N 0 3 283.460 2.818 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233879570 778104769 /nfs/dbraw/zinc/10/47/69/778104769.db2.gz HERQIIATEIERFY-OAHLLOKOSA-N 0 3 276.380 2.701 20 30 CFEDHN C#CCCCC(=O)N(C)C[C@@H]1CCN1CCCCCC ZINC001233946371 778119120 /nfs/dbraw/zinc/11/91/20/778119120.db2.gz AEEGFAMHHHGHJJ-INIZCTEOSA-N 0 3 278.440 2.903 20 30 CFEDHN C=CCCN1C[C@@H](NC(=O)[C@H](CC)CCCC)[C@H](OC)C1 ZINC001211908665 778136959 /nfs/dbraw/zinc/13/69/59/778136959.db2.gz INBFPSWCANVEJN-BZUAXINKSA-N 0 3 296.455 2.594 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001234059510 778154818 /nfs/dbraw/zinc/15/48/18/778154818.db2.gz NBOKYQSVRAOHFE-AWEZNQCLSA-N 0 3 289.423 2.690 20 30 CFEDHN CCCCCCN1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234171415 778180733 /nfs/dbraw/zinc/18/07/33/778180733.db2.gz QKOPICMQBGVSLT-MRXNPFEDSA-N 0 3 278.440 2.759 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234246435 778192899 /nfs/dbraw/zinc/19/28/99/778192899.db2.gz NSMIQGJDDHFUJU-HZPDHXFCSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@H](OCC)C(C)C ZINC001234255468 778194446 /nfs/dbraw/zinc/19/44/46/778194446.db2.gz NRHHQIRRWUGGMM-JKSUJKDBSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1C[C@H](CC)OC ZINC001234554069 778250690 /nfs/dbraw/zinc/25/06/90/778250690.db2.gz DFXWKYDTPAHFCL-GJZGRUSLSA-N 0 3 296.455 2.546 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088587297 778306251 /nfs/dbraw/zinc/30/62/51/778306251.db2.gz HDUDRPFRFJBZCI-OAGGEKHMSA-N 0 3 276.424 2.888 20 30 CFEDHN C=CCCCCCN1C[C@@H](NC(=O)CCC=C)[C@H](OC)C1 ZINC001212022116 778327530 /nfs/dbraw/zinc/32/75/30/778327530.db2.gz BCULFZJPLPJUPX-HZPDHXFCSA-N 0 3 294.439 2.514 20 30 CFEDHN CC[C@@H](C)C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000127729236 778344873 /nfs/dbraw/zinc/34/48/73/778344873.db2.gz DCHRRWJGASZTAY-DGCLKSJQSA-N 0 3 258.321 2.689 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2ccccc2CC)[C@H]1C ZINC001088655827 778377254 /nfs/dbraw/zinc/37/72/54/778377254.db2.gz TZHIWVJGBABUPL-PBHICJAKSA-N 0 3 286.419 2.557 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1C ZINC001088654936 778377528 /nfs/dbraw/zinc/37/75/28/778377528.db2.gz FTYYWNWRDGWFJX-NFAWXSAZSA-N 0 3 264.413 2.578 20 30 CFEDHN CCCCCCC/C=C/CN1CC[C@@H]2OCCN[C@H]2C1 ZINC001235207442 778415189 /nfs/dbraw/zinc/41/51/89/778415189.db2.gz ZDXJWVTUZMYFBA-AFYXXPPBSA-N 0 3 280.456 2.966 20 30 CFEDHN C#CCC1(C(=O)N(C)C[C@@H]2CCN2CCC2CC2)CCC1 ZINC001235208854 778415548 /nfs/dbraw/zinc/41/55/48/778415548.db2.gz HGBKNLQGWGWEFZ-INIZCTEOSA-N 0 3 288.435 2.513 20 30 CFEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc3sccc3c2)C1 ZINC000989628689 778420664 /nfs/dbraw/zinc/42/06/64/778420664.db2.gz JQSMNBNTTZCSDS-IUODEOHRSA-N 0 3 298.411 2.727 20 30 CFEDHN C=CCCN1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989699347 778423291 /nfs/dbraw/zinc/42/32/91/778423291.db2.gz NOZVSJYYNGMADG-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN CCC1(CNc2ccc(/N=C/N(C)C)c(C#N)c2)COC1 ZINC001168331209 778435980 /nfs/dbraw/zinc/43/59/80/778435980.db2.gz XXFRKVVMXGVFDV-XDHOZWIPSA-N 0 3 286.379 2.618 20 30 CFEDHN CCc1ccc(NC(=O)C(C#N)C(=O)C2CCC2)cc1 ZINC000128368245 778507571 /nfs/dbraw/zinc/50/75/71/778507571.db2.gz OXFWWNYTKCDPLA-CQSZACIVSA-N 0 3 270.332 2.696 20 30 CFEDHN N#CCc1ccccc1CN1CC[C@H](Oc2ccccn2)C1 ZINC001235524262 778512094 /nfs/dbraw/zinc/51/20/94/778512094.db2.gz DEVFGAORXRMERZ-KRWDZBQOSA-N 0 3 293.370 2.801 20 30 CFEDHN Cc1noc(C2CCN(Cc3ccccc3CC#N)CC2)n1 ZINC001235530503 778513030 /nfs/dbraw/zinc/51/30/30/778513030.db2.gz VNKARWFYAXCMHW-UHFFFAOYSA-N 0 3 296.374 2.824 20 30 CFEDHN COC(=O)C[C@@H]1CCCN(Cc2ccccc2CC#N)C1 ZINC001235530475 778513229 /nfs/dbraw/zinc/51/32/29/778513229.db2.gz VGWGCMHNZWWSHM-AWEZNQCLSA-N 0 3 286.375 2.528 20 30 CFEDHN CC(=O)[C@@H]1CCCN(Cc2ccccc2CC#N)C1 ZINC001235529745 778513334 /nfs/dbraw/zinc/51/33/34/778513334.db2.gz PAUXCKKIZSWGHH-OAHLLOKOSA-N 0 3 256.349 2.554 20 30 CFEDHN C=CCOc1ccccc1[C@@H](C)NC(=O)CN(C)C(C)C ZINC001142590148 778514313 /nfs/dbraw/zinc/51/43/13/778514313.db2.gz HVSANKVYKOSGFD-CQSZACIVSA-N 0 3 290.407 2.769 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235684150 778536027 /nfs/dbraw/zinc/53/60/27/778536027.db2.gz JQALWAHOMDCULR-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN Fc1ccc2nc(CN3CCC(S)CC3)[nH]c2c1 ZINC001235698559 778542103 /nfs/dbraw/zinc/54/21/03/778542103.db2.gz WJFCKKDCVSUAAT-UHFFFAOYSA-N 0 3 265.357 2.596 20 30 CFEDHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235701763 778542548 /nfs/dbraw/zinc/54/25/48/778542548.db2.gz PWMRJLKDBLDZMO-OAHLLOKOSA-N 0 3 276.424 2.676 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1C ZINC001088832913 778573346 /nfs/dbraw/zinc/57/33/46/778573346.db2.gz NYEZOMZABFTQEE-DOMZBBRYSA-N 0 3 292.810 2.648 20 30 CFEDHN N#Cc1cc(F)cc(CN2CCN[C@H](c3ccccc3)C2)c1 ZINC001235856294 778581704 /nfs/dbraw/zinc/58/17/04/778581704.db2.gz YQBRFSLPFHYKNA-SFHVURJKSA-N 0 3 295.361 2.844 20 30 CFEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001076472712 778591737 /nfs/dbraw/zinc/59/17/37/778591737.db2.gz RIKAZIVXRMPTBM-BPQIPLTHSA-N 0 3 298.430 2.817 20 30 CFEDHN N#Cc1cc(-c2cc(N3CCOCC3)ccn2)ccc1F ZINC001235889691 778592075 /nfs/dbraw/zinc/59/20/75/778592075.db2.gz BZHXBUMUDFPYBU-UHFFFAOYSA-N 0 3 283.306 2.596 20 30 CFEDHN C=C(C)CN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840240 778781885 /nfs/dbraw/zinc/78/18/85/778781885.db2.gz BLEPEXBDQKLOQR-ILXRZTDVSA-N 0 3 278.440 2.968 20 30 CFEDHN COc1ccc(C#N)cc1-c1ccc2nc(N)[nH]c2c1 ZINC001236543650 778872655 /nfs/dbraw/zinc/87/26/55/778872655.db2.gz DPBSXIVHVQXJHA-UHFFFAOYSA-N 0 3 264.288 2.692 20 30 CFEDHN COc1ccc(C#N)cc1-c1ccc2[nH]c(N)nc2c1 ZINC001236543650 778872664 /nfs/dbraw/zinc/87/26/64/778872664.db2.gz DPBSXIVHVQXJHA-UHFFFAOYSA-N 0 3 264.288 2.692 20 30 CFEDHN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\C1CC1 ZINC001099008057 778900724 /nfs/dbraw/zinc/90/07/24/778900724.db2.gz LFSXOWYKJHOKEW-ZPIQOJFGSA-N 0 3 276.424 2.745 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC001088873712 778927958 /nfs/dbraw/zinc/92/79/58/778927958.db2.gz PXMVNDCIYLKRPL-DOMZBBRYSA-N 0 3 283.375 2.547 20 30 CFEDHN C=CCN1CC[C@H](NC(=O)c2cncc3ccccc32)[C@H]1C ZINC001089056320 778983838 /nfs/dbraw/zinc/98/38/38/778983838.db2.gz ZFYYEXMCKVLSGJ-DYVFJYSZSA-N 0 3 295.386 2.613 20 30 CFEDHN C=CCN1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237053079 779000602 /nfs/dbraw/zinc/00/06/02/779000602.db2.gz GNDFUXKOQSRBSM-UHFFFAOYSA-N 0 3 274.408 2.819 20 30 CFEDHN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H](CC)SC ZINC001233732381 779077619 /nfs/dbraw/zinc/07/76/19/779077619.db2.gz QRESQYFWVFZSNS-KGLIPLIRSA-N 0 3 284.469 2.627 20 30 CFEDHN CCCN1CCN(Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237469791 779114975 /nfs/dbraw/zinc/11/49/75/779114975.db2.gz BQVJQDHSQAPPEI-UHFFFAOYSA-N 0 3 296.418 2.578 20 30 CFEDHN 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780145437 /nfs/dbraw/zinc/14/54/37/780145437.db2.gz RFZISFCIWNSDDZ-UHFFFAOYSA-N 0 3 290.382 2.800 20 30 CFEDHN C=C(Cl)CN[C@@H]1C[C@H](NC(=O)C2(C)CCC2)C12CCC2 ZINC001078700955 780292302 /nfs/dbraw/zinc/29/23/02/780292302.db2.gz UUJRTZYARVPCIT-OLZOCXBDSA-N 0 3 296.842 2.946 20 30 CFEDHN C=C(C)CCC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001128418485 780434558 /nfs/dbraw/zinc/43/45/58/780434558.db2.gz NZWWMMPZWSIHPS-ZDUSSCGKSA-N 0 3 278.371 2.949 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964923 780519711 /nfs/dbraw/zinc/51/97/11/780519711.db2.gz SXPMSSSRKZFHMA-OAHLLOKOSA-N 0 3 262.397 2.596 20 30 CFEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033106893 780566355 /nfs/dbraw/zinc/56/63/55/780566355.db2.gz IZFLHXUXUFANKJ-RDJZCZTQSA-N 0 3 276.424 2.842 20 30 CFEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)CC2CC(F)(F)C2)C1 ZINC001033201639 780617723 /nfs/dbraw/zinc/61/77/23/780617723.db2.gz GTRBFTGIZICSFN-CYBMUJFWSA-N 0 3 286.366 2.531 20 30 CFEDHN 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C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034374310 780956476 /nfs/dbraw/zinc/95/64/76/780956476.db2.gz ZAWSZILACLUTHL-SJLPKXTDSA-N 0 3 298.430 2.873 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034390092 780963885 /nfs/dbraw/zinc/96/38/85/780963885.db2.gz XBKSBTLXFBDBOY-OAHLLOKOSA-N 0 3 276.424 2.890 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389870 780964085 /nfs/dbraw/zinc/96/40/85/780964085.db2.gz PDLXZABUAUFAGU-OWCLPIDISA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034395484 780965239 /nfs/dbraw/zinc/96/52/39/780965239.db2.gz XAJQFYCNGLSRMM-HUUCEWRRSA-N 0 3 290.407 2.930 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001034418383 780971978 /nfs/dbraw/zinc/97/19/78/780971978.db2.gz FQEHZLIWQFHCOE-INIZCTEOSA-N 0 3 297.402 2.938 20 30 CFEDHN C=C(C)CN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034434901 780975340 /nfs/dbraw/zinc/97/53/40/780975340.db2.gz FDPQHVNQSCZWKD-HRCADAONSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001034481621 780982812 /nfs/dbraw/zinc/98/28/12/780982812.db2.gz VMCXGMJYXJERIJ-LBPRGKRZSA-N 0 3 286.366 2.579 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001034497267 780983883 /nfs/dbraw/zinc/98/38/83/780983883.db2.gz QOHXNWYSOIMGMJ-OAHLLOKOSA-N 0 3 290.382 2.904 20 30 CFEDHN C=CCN1CCCC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001034512389 780989265 /nfs/dbraw/zinc/98/92/65/780989265.db2.gz LWRVNHUEXLTFEW-QGZVFWFLSA-N 0 3 298.430 2.875 20 30 CFEDHN C=CCN1CCCC[C@H](NC(=O)Cc2ccccc2F)C1 ZINC001034520323 780992368 /nfs/dbraw/zinc/99/23/68/780992368.db2.gz VGJMKLMUDPNTNX-HNNXBMFYSA-N 0 3 290.382 2.525 20 30 CFEDHN C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001034596969 781007964 /nfs/dbraw/zinc/00/79/64/781007964.db2.gz OPBPKNXMKXFTHQ-HDJSIYSDSA-N 0 3 288.391 2.599 20 30 CFEDHN CC#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001045539340 781029228 /nfs/dbraw/zinc/02/92/28/781029228.db2.gz QJINPCAIJSMVLA-HZPDHXFCSA-N 0 3 290.451 2.807 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1cccc(C)n1)CC2 ZINC001035651073 781151450 /nfs/dbraw/zinc/15/14/50/781151450.db2.gz WEZFPPCTOMFCNB-UHFFFAOYSA-N 0 3 299.418 2.504 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035653064 781152464 /nfs/dbraw/zinc/15/24/64/781152464.db2.gz JBWUBVGEYRABDX-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)c1ccoc1C)CC2 ZINC001035645623 781154863 /nfs/dbraw/zinc/15/48/63/781154863.db2.gz GWFYJTPMLLPFOJ-UHFFFAOYSA-N 0 3 288.391 2.702 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@H](C)C1CC1)CC2 ZINC001035679813 781156995 /nfs/dbraw/zinc/15/69/95/781156995.db2.gz YLOVSZBTVXRPEK-CQSZACIVSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CCC1(C)C)CC2 ZINC001035770656 781166103 /nfs/dbraw/zinc/16/61/03/781166103.db2.gz HNJGSIRPXGQWTF-HNNXBMFYSA-N 0 3 290.451 2.923 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C[C@@H]1C[C@@H]1C)CC2 ZINC001035786545 781169048 /nfs/dbraw/zinc/16/90/48/781169048.db2.gz GIBSZVYANGBZSZ-GJZGRUSLSA-N 0 3 276.424 2.533 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)C1(C)CC(=C)C1)CC2 ZINC001035789242 781169891 /nfs/dbraw/zinc/16/98/91/781169891.db2.gz SGVURHPZQFJFFT-UHFFFAOYSA-N 0 3 288.435 2.843 20 30 CFEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)C)CC2 ZINC001035827379 781175901 /nfs/dbraw/zinc/17/59/01/781175901.db2.gz NIYAELXTMRETIX-JKSUJKDBSA-N 0 3 290.451 2.779 20 30 CFEDHN CCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H](C)C1 ZINC001035879432 781178992 /nfs/dbraw/zinc/17/89/92/781178992.db2.gz HLRUPEOXAHYVFL-RHSMWYFYSA-N 0 3 299.418 2.685 20 30 CFEDHN Cc1cc(-c2ccc(CN(C)C3CC3)cn2)cnc1C#N ZINC001242354663 781429638 /nfs/dbraw/zinc/42/96/38/781429638.db2.gz BDVAYIUQRKEGCU-UHFFFAOYSA-N 0 3 278.359 2.918 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001079729418 781618184 /nfs/dbraw/zinc/61/81/84/781618184.db2.gz GSEWLXZUFDSCQB-LXTVHRRPSA-N 0 3 278.440 2.681 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001079761033 781619683 /nfs/dbraw/zinc/61/96/83/781619683.db2.gz OHHSUDXXKSBCLU-IAQYHMDHSA-N 0 3 292.448 2.991 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001079828752 781621248 /nfs/dbraw/zinc/62/12/48/781621248.db2.gz FZZZIMXLSQQWTC-IUODEOHRSA-N 0 3 287.407 2.518 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001079946466 781626869 /nfs/dbraw/zinc/62/68/69/781626869.db2.gz PQHHQWQRMIWIDA-OWCLPIDISA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001080212586 781641399 /nfs/dbraw/zinc/64/13/99/781641399.db2.gz LORUSLAOEGYPFA-CZUORRHYSA-N 0 3 290.382 2.760 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001080215620 781641904 /nfs/dbraw/zinc/64/19/04/781641904.db2.gz WLWJDUUXFIAPBW-ZIAGYGMSSA-N 0 3 264.413 2.579 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080269861 781643052 /nfs/dbraw/zinc/64/30/52/781643052.db2.gz LAPPWFCLBYVYSG-BZUAXINKSA-N 0 3 276.424 2.745 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001080286675 781648920 /nfs/dbraw/zinc/64/89/20/781648920.db2.gz TYIQSHJJKBORFQ-RBSFLKMASA-N 0 3 278.440 2.825 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001080520572 781666239 /nfs/dbraw/zinc/66/62/39/781666239.db2.gz LTBZHMMZKOXRFG-HLLBOEOZSA-N 0 3 286.419 2.721 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001080520134 781666744 /nfs/dbraw/zinc/66/67/44/781666744.db2.gz DOVLFUBNIPWTDA-GDBMZVCRSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001080692734 781675229 /nfs/dbraw/zinc/67/52/29/781675229.db2.gz BNMBUWLMIJWPOU-MLGOLLRUSA-N 0 3 287.407 2.518 20 30 CFEDHN C#CCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818309 781679351 /nfs/dbraw/zinc/67/93/51/781679351.db2.gz CHUCQUSNXUJDEM-QBPKDAKJSA-N 0 3 290.451 2.663 20 30 CFEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001080882397 781684920 /nfs/dbraw/zinc/68/49/20/781684920.db2.gz ZRUFYTLHAJBAGT-RHSMWYFYSA-N 0 3 286.419 2.875 20 30 CFEDHN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001080984306 781689773 /nfs/dbraw/zinc/68/97/73/781689773.db2.gz OSLHFJZFKAFTAJ-BFYDXBDKSA-N 0 3 286.419 2.721 20 30 CFEDHN N#Cc1ccccc1-c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001242715612 781716105 /nfs/dbraw/zinc/71/61/05/781716105.db2.gz DTBPMAFTMHMELN-MRXNPFEDSA-N 0 3 290.370 2.824 20 30 CFEDHN N#Cc1ccccc1-c1ccc2c(c1)COC21CNC1 ZINC001242717023 781717185 /nfs/dbraw/zinc/71/71/85/781717185.db2.gz KZPYOEQIEMBKHY-UHFFFAOYSA-N 0 3 262.312 2.554 20 30 CFEDHN Cc1cc(-c2cccc(CN(C)C)n2)ccc1C#N ZINC001242767514 781751920 /nfs/dbraw/zinc/75/19/20/781751920.db2.gz ZZRIZOGMJCFZBN-UHFFFAOYSA-N 0 3 251.333 2.990 20 30 CFEDHN C=CCCN1CC[C@@H]2CN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001084330285 781787672 /nfs/dbraw/zinc/78/76/72/781787672.db2.gz FUGOBIPZGHHHAO-ZIAGYGMSSA-N 0 3 290.432 2.779 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)C3CC(C)(C)C3)[C@@H]2C1 ZINC001084320817 781789290 /nfs/dbraw/zinc/78/92/90/781789290.db2.gz XYRVANNUEMFMRR-UKRRQHHQSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001084447410 781795065 /nfs/dbraw/zinc/79/50/65/781795065.db2.gz MKHJPCGYQPBRKO-BZUAXINKSA-N 0 3 288.435 2.676 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230730477 781868380 /nfs/dbraw/zinc/86/83/80/781868380.db2.gz FXQTVXJDGPXSFW-AWEZNQCLSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@@H]21 ZINC001084986961 781874193 /nfs/dbraw/zinc/87/41/93/781874193.db2.gz ITPOLQQUALMDOW-FPCVCCKLSA-N 0 3 290.451 2.777 20 30 CFEDHN C=CCCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)OCCCC ZINC001231095107 781908277 /nfs/dbraw/zinc/90/82/77/781908277.db2.gz NIQGFLMLIFPFKE-CVEARBPZSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCOCCN[C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC000594505251 349433650 /nfs/dbraw/zinc/43/36/50/349433650.db2.gz RUOGIQKYJMNZQC-INIZCTEOSA-N 0 3 289.375 2.643 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](N[C@H]2CCc3ccccc3NC2=O)C1 ZINC000594511399 349436006 /nfs/dbraw/zinc/43/60/06/349436006.db2.gz MUSBMMWVODRDDZ-XPKDYRNWSA-N 0 3 283.375 2.612 20 30 CFEDHN C[C@@H](CNCc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000594514545 349437293 /nfs/dbraw/zinc/43/72/93/349437293.db2.gz KVSYFWSRQYEDOV-JTQLQIEISA-N 0 3 280.393 2.687 20 30 CFEDHN COc1cc(CN[C@@H]2CC[C@H](C)SC2)ccc1C#N ZINC000594525272 349442344 /nfs/dbraw/zinc/44/23/44/349442344.db2.gz UMOCEPCBUSQRAS-SMDDNHRTSA-N 0 3 276.405 2.941 20 30 CFEDHN N#Cc1ccc(C2(NCc3ccc(N)nc3)CCC2)cc1 ZINC000594581048 349450690 /nfs/dbraw/zinc/45/06/90/349450690.db2.gz GIPCSGCBROFBTB-UHFFFAOYSA-N 0 3 278.359 2.535 20 30 CFEDHN CCC(C)(C)N1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000594594721 349455210 /nfs/dbraw/zinc/45/52/10/349455210.db2.gz QGDLHHWAFUJMSC-UHFFFAOYSA-N 0 3 297.406 2.517 20 30 CFEDHN CC(C)(C)[C@@H](N)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658601 349470269 /nfs/dbraw/zinc/47/02/69/349470269.db2.gz WOCYVNGTQQERQL-ZDUSSCGKSA-N 0 3 275.400 2.798 20 30 CFEDHN C#CCN1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000067703970 346815537 /nfs/dbraw/zinc/81/55/37/346815537.db2.gz RUWHOVHJWRYLLR-UHFFFAOYSA-N 0 3 276.767 2.624 20 30 CFEDHN CC[C@@H]1C[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CO1 ZINC000594936592 349518330 /nfs/dbraw/zinc/51/83/30/349518330.db2.gz FKVDCIXUKUYKEQ-FMKPAKJESA-N 0 3 256.349 2.703 20 30 CFEDHN Cn1ncc(C(F)(F)F)c1CN[C@H]1CC[C@@H](CC#N)C1 ZINC000594955070 349527316 /nfs/dbraw/zinc/52/73/16/349527316.db2.gz JIIMAXCAQFSBNC-UWVGGRQHSA-N 0 3 286.301 2.611 20 30 CFEDHN CC(C)n1nccc1CNCCc1ccc(C#N)cc1 ZINC000594954551 349527551 /nfs/dbraw/zinc/52/75/51/349527551.db2.gz HQXZKZIBEKMHBA-UHFFFAOYSA-N 0 3 268.364 2.668 20 30 CFEDHN C=CCCSCCNCc1ccc(N(C)CC)nc1 ZINC000594960349 349530501 /nfs/dbraw/zinc/53/05/01/349530501.db2.gz OQWMBXHRQZJXDB-UHFFFAOYSA-N 0 3 279.453 2.937 20 30 CFEDHN C=CCCSCCNCc1c(C(F)(F)F)cnn1C ZINC000594966358 349533390 /nfs/dbraw/zinc/53/33/90/349533390.db2.gz HSTSXEIBYKEKEJ-UHFFFAOYSA-N 0 3 293.358 2.838 20 30 CFEDHN Cc1cc(CNC[C@H]2CCC[C@H](C)O2)ccc1C#N ZINC000594985678 349539040 /nfs/dbraw/zinc/53/90/40/349539040.db2.gz MUQITRSYLPUNDX-XJKSGUPXSA-N 0 3 258.365 2.914 20 30 CFEDHN C[C@H](NCCc1ccc(C#N)cc1)c1ccccn1 ZINC000595055189 349566679 /nfs/dbraw/zinc/56/66/79/349566679.db2.gz AHOAIXAOYXQISJ-ZDUSSCGKSA-N 0 3 251.333 2.847 20 30 CFEDHN C[C@@]1(NCc2ccc(C#N)s2)CCO[C@H]1C1CC1 ZINC000273087574 192039697 /nfs/dbraw/zinc/03/96/97/192039697.db2.gz KGDPJRZADKBMDI-UONOGXRCSA-N 0 3 262.378 2.667 20 30 CFEDHN C=CCCSCCN[C@H](c1nccn1C)C1CC1 ZINC000595058304 349569429 /nfs/dbraw/zinc/56/94/29/349569429.db2.gz HAGNDHKJRLIDEO-ZDUSSCGKSA-N 0 3 265.426 2.770 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H](O)C12CCC2)c1ccc(C#N)cc1F ZINC000595088951 349577095 /nfs/dbraw/zinc/57/70/95/349577095.db2.gz MRILGIJQZZWPTP-VQISRLSMSA-N 0 3 274.339 2.651 20 30 CFEDHN C[C@H](O)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000595104228 349582247 /nfs/dbraw/zinc/58/22/47/349582247.db2.gz QYVQYMJKIHNQJK-XNISGKROSA-N 0 3 258.365 2.780 20 30 CFEDHN C=CCCSCCNC(=O)Nc1ccccc1CNC ZINC000595236749 349586071 /nfs/dbraw/zinc/58/60/71/349586071.db2.gz MPISRPNXUMKGHK-UHFFFAOYSA-N 0 3 293.436 2.837 20 30 CFEDHN N#Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000068134240 346837082 /nfs/dbraw/zinc/83/70/82/346837082.db2.gz DPTAKWDXIBEPTL-QGZVFWFLSA-N 0 3 297.402 2.649 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000595258553 349589248 /nfs/dbraw/zinc/58/92/48/349589248.db2.gz CQEZQAHEMIVBNL-HUUCEWRRSA-N 0 3 277.412 2.579 20 30 CFEDHN C[C@@H](N[C@@H](C)C1(CO)CC1)c1ccc(C#N)cc1F ZINC000595071010 349573827 /nfs/dbraw/zinc/57/38/27/349573827.db2.gz XCQKQSHSKBFKON-MNOVXSKESA-N 0 3 262.328 2.509 20 30 CFEDHN N#C[C@H](c1ccccc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000595310512 349598775 /nfs/dbraw/zinc/59/87/75/349598775.db2.gz DEUNBFCULRVSEG-IAGOWNOFSA-N 0 3 269.392 2.811 20 30 CFEDHN CN(CCc1ccc(C#N)cc1)[C@H]1CCCc2c1cnn2C ZINC000595390933 349615011 /nfs/dbraw/zinc/61/50/11/349615011.db2.gz ZVLJVXOUDJSKSS-KRWDZBQOSA-N 0 3 294.402 2.844 20 30 CFEDHN C[C@H](N[C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1cccc(C#N)c1 ZINC000595414303 349618832 /nfs/dbraw/zinc/61/88/32/349618832.db2.gz GXVSCPCICGUZCN-WBQNTZJQSA-N 0 3 297.402 2.656 20 30 CFEDHN N#Cc1ccc(CCN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000595429740 349623184 /nfs/dbraw/zinc/62/31/84/349623184.db2.gz JLLBLMWBDYAPCZ-CQSZACIVSA-N 0 3 280.318 2.804 20 30 CFEDHN CCC(CC)CN(CC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345770391 282161905 /nfs/dbraw/zinc/16/19/05/282161905.db2.gz LOOOVIZPPWKZBD-CYBMUJFWSA-N 0 3 279.428 2.695 20 30 CFEDHN CC(C)[C@H]1CN([C@@H](C#N)c2ccccc2)CCN1C ZINC000595461804 349635055 /nfs/dbraw/zinc/63/50/55/349635055.db2.gz NXIOLTPSCOUSIB-JKSUJKDBSA-N 0 3 257.381 2.523 20 30 CFEDHN N#CC1(c2ccccn2)CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595473073 349637528 /nfs/dbraw/zinc/63/75/28/349637528.db2.gz UAVSBPGZYRVGJN-MUJYYYPQSA-N 0 3 281.403 2.985 20 30 CFEDHN CC[C@H](Cn1cncn1)N[C@@H](CCC#N)c1ccccc1 ZINC000353249536 529435711 /nfs/dbraw/zinc/43/57/11/529435711.db2.gz DNDGIBWTLRPHJZ-CVEARBPZSA-N 0 3 283.379 2.691 20 30 CFEDHN N#Cc1ccncc1N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595500660 349643400 /nfs/dbraw/zinc/64/34/00/349643400.db2.gz GDZUEZFMNDXIHM-HLLBOEOZSA-N 0 3 296.418 2.511 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CCO[C@H]1CC1(F)F ZINC000595548090 349656513 /nfs/dbraw/zinc/65/65/13/349656513.db2.gz ACNWRDDEBSZGQM-RISCZKNCSA-N 0 3 280.318 2.975 20 30 CFEDHN CN(Cc1ccc(F)c(C#N)c1)[C@H](CO)Cc1ccccc1 ZINC000595595712 349668994 /nfs/dbraw/zinc/66/89/94/349668994.db2.gz LAVNWPLEAKXRRI-KRWDZBQOSA-N 0 3 298.361 2.733 20 30 CFEDHN COc1cccc(OCCN2CCC[C@H](CC#N)C2)c1 ZINC000595619439 349678866 /nfs/dbraw/zinc/67/88/66/349678866.db2.gz BCTANSVBILZOAW-CQSZACIVSA-N 0 3 274.364 2.700 20 30 CFEDHN N#CC[C@@H]1CCCN(C[C@H](O)CCc2ccccc2)C1 ZINC000595621097 349679889 /nfs/dbraw/zinc/67/98/89/349679889.db2.gz TUVJJYBVAFNRGB-DLBZAZTESA-N 0 3 272.392 2.606 20 30 CFEDHN CO[C@H](Cc1ccccc1)CN1CCC[C@H](CC#N)C1 ZINC000595623466 349680667 /nfs/dbraw/zinc/68/06/67/349680667.db2.gz QKUQYRBFDFYYGP-IAGOWNOFSA-N 0 3 272.392 2.870 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688980 349700752 /nfs/dbraw/zinc/70/07/52/349700752.db2.gz MEBGIUAEOAOBIG-XYPHTWIQSA-N 0 3 270.376 2.978 20 30 CFEDHN C[C@@H](CO)[C@@H]1CCCCN1Cc1cn2ccccc2c1C#N ZINC000595671814 349695686 /nfs/dbraw/zinc/69/56/86/349695686.db2.gz WAPDASJEBIFUCY-YOEHRIQHSA-N 0 3 297.402 2.794 20 30 CFEDHN COc1cc(C#N)ccc1CN1CCC[C@H](C)[C@H]1CCO ZINC000595694666 349706084 /nfs/dbraw/zinc/70/60/84/349706084.db2.gz DSVOWXSELVNVGN-XJKSGUPXSA-N 0 3 288.391 2.550 20 30 CFEDHN COC(C)(C)CN(C)Cc1ccc(C#N)c(F)c1 ZINC000404083031 290028426 /nfs/dbraw/zinc/02/84/26/290028426.db2.gz PZYOBOIPLNKNGL-UHFFFAOYSA-N 0 3 250.317 2.554 20 30 CFEDHN CC[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000595765807 349727333 /nfs/dbraw/zinc/72/73/33/349727333.db2.gz OYHGKLSKLXEMPQ-CQSZACIVSA-N 0 3 282.347 2.886 20 30 CFEDHN CC[C@@H]1CC[C@@H](C)N(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000595781204 349731893 /nfs/dbraw/zinc/73/18/93/349731893.db2.gz AMWNNYTXWDTKQX-IIAWOOMASA-N 0 3 279.428 2.551 20 30 CFEDHN CC(C)(C#N)CCCN[C@@H](CO)c1ccc(F)cc1F ZINC000595867728 349757765 /nfs/dbraw/zinc/75/77/65/349757765.db2.gz PJZRSLNWDXLTEI-AWEZNQCLSA-N 0 3 282.334 2.918 20 30 CFEDHN CC1(C)C[C@]1(NC(=O)[C@H](N)CCCCC#N)c1ccccc1 ZINC000595995093 349774485 /nfs/dbraw/zinc/77/44/85/349774485.db2.gz MSJZAYWYXJVTPW-QAPCUYQASA-N 0 3 299.418 2.839 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)C(C)C ZINC000414520502 529626117 /nfs/dbraw/zinc/62/61/17/529626117.db2.gz DCMPFPKLTIRQGP-GJZGRUSLSA-N 0 3 264.344 2.582 20 30 CFEDHN C=CCCSCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000595938997 349771191 /nfs/dbraw/zinc/77/11/91/349771191.db2.gz CKWFJOXISPHLOF-ZFWWWQNUSA-N 0 3 292.448 2.748 20 30 CFEDHN C=CCCSCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000595938994 349771356 /nfs/dbraw/zinc/77/13/56/349771356.db2.gz CKWFJOXISPHLOF-DZGCQCFKSA-N 0 3 292.448 2.748 20 30 CFEDHN Cc1ccc(C#N)nc1NCCN1CCCC[C@@H]1C ZINC000596076194 349788040 /nfs/dbraw/zinc/78/80/40/349788040.db2.gz MOLSGLGAYBTWDO-ZDUSSCGKSA-N 0 3 258.369 2.548 20 30 CFEDHN COc1cc(C#N)ccc1OCc1cccc2c1CCNC2 ZINC000596070497 349786304 /nfs/dbraw/zinc/78/63/04/349786304.db2.gz PRWTVGXRHCILAQ-UHFFFAOYSA-N 0 3 294.354 2.792 20 30 CFEDHN C#CCN(C)CCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000294999625 199292516 /nfs/dbraw/zinc/29/25/16/199292516.db2.gz LYDKNVXEHNMQGO-CYBMUJFWSA-N 0 3 291.464 2.628 20 30 CFEDHN Cc1cccnc1CCNCc1ccc(C#N)cc1F ZINC000295010227 199297489 /nfs/dbraw/zinc/29/74/89/199297489.db2.gz MACJMBAXUXZNAU-UHFFFAOYSA-N 0 3 269.323 2.733 20 30 CFEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1nc(C#N)c(Cl)s1 ZINC000596231043 349834841 /nfs/dbraw/zinc/83/48/41/349834841.db2.gz GFRIYTWZNKQLFZ-KOLCDFICSA-N 0 3 296.827 2.731 20 30 CFEDHN CCN1CCCN(c2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC000596268305 349847683 /nfs/dbraw/zinc/84/76/83/349847683.db2.gz HUYBYVJYGSFHAK-LLVKDONJSA-N 0 3 278.787 2.527 20 30 CFEDHN CC(C)N1CC[C@@H](N(C)c2nc(C#N)c(Cl)s2)C1 ZINC000596266040 349847894 /nfs/dbraw/zinc/84/78/94/349847894.db2.gz MRLNOJZWXSTADH-SECBINFHSA-N 0 3 284.816 2.587 20 30 CFEDHN C=CCN1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1 ZINC000074132496 346999211 /nfs/dbraw/zinc/99/92/11/346999211.db2.gz KQKFLEFFXGTEFK-UHFFFAOYSA-N 0 3 293.455 2.905 20 30 CFEDHN CN(CC1CN(C)C1)c1cc(C#N)ccc1C(F)(F)F ZINC000596455048 349907629 /nfs/dbraw/zinc/90/76/29/349907629.db2.gz ZBCRSYXJLCLYJZ-UHFFFAOYSA-N 0 3 283.297 2.575 20 30 CFEDHN CN(CCCSCC#N)Cc1ccc2c(c1)OCCO2 ZINC000074981404 347046538 /nfs/dbraw/zinc/04/65/38/347046538.db2.gz RBNUXKVGAIDVNE-UHFFFAOYSA-N 0 3 292.404 2.536 20 30 CFEDHN C=CCCCN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000204707638 539399568 /nfs/dbraw/zinc/39/95/68/539399568.db2.gz DUFDDLDGDACABW-AWEZNQCLSA-N 0 3 252.402 2.709 20 30 CFEDHN CCCN1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000075267673 347062662 /nfs/dbraw/zinc/06/26/62/347062662.db2.gz YJYYSOUULZRWAS-BBRMVZONSA-N 0 3 285.391 2.610 20 30 CFEDHN C=C(C)COc1cccc(N[C@@H]2CCN(CCOC)C2)c1 ZINC000273218067 192077836 /nfs/dbraw/zinc/07/78/36/192077836.db2.gz UXIVOIPZPHDZPP-MRXNPFEDSA-N 0 3 290.407 2.774 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccsc2Cl)CC1 ZINC000668368738 539430180 /nfs/dbraw/zinc/43/01/80/539430180.db2.gz FJXNYQDIWYONKV-UHFFFAOYSA-N 0 3 284.812 2.782 20 30 CFEDHN C=C(Cl)CN[C@H]1CCN(CCc2ccccc2)C1 ZINC000127329746 187298058 /nfs/dbraw/zinc/29/80/58/187298058.db2.gz OKISJTZCFFLKQT-HNNXBMFYSA-N 0 3 264.800 2.646 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@@H](C)N(C)C1CC1)c1ccccc1 ZINC000128348471 187365459 /nfs/dbraw/zinc/36/54/59/187365459.db2.gz VEGBXDUKJDJIIO-CABCVRRESA-N 0 3 286.419 2.945 20 30 CFEDHN Cc1nnc(NC[C@@H](c2ccccc2)N(C)C)c(C#N)c1C ZINC000024053017 346254027 /nfs/dbraw/zinc/25/40/27/346254027.db2.gz YOOGGCFWYWHCMZ-INIZCTEOSA-N 0 3 295.390 2.680 20 30 CFEDHN CCc1ccc([C@@H](CNC(=O)[C@@H](C)CC#N)N(C)C)cc1 ZINC000596675776 349973039 /nfs/dbraw/zinc/97/30/39/349973039.db2.gz ZNWVHLIWUYVARX-XJKSGUPXSA-N 0 3 287.407 2.518 20 30 CFEDHN CCN(CCCC#N)Cc1ccc(OC)c(OC)c1 ZINC000053097466 346537884 /nfs/dbraw/zinc/53/78/84/346537884.db2.gz LUXQTOPYDMIOGX-UHFFFAOYSA-N 0 3 262.353 2.829 20 30 CFEDHN N#Cc1ccc(N2CCN(CC3CCCCC3)CC2)nc1 ZINC000060481273 346666989 /nfs/dbraw/zinc/66/69/89/346666989.db2.gz MPLZJFGUFWDCSI-UHFFFAOYSA-N 0 3 284.407 2.656 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC[C@@H](C)CC1 ZINC000063309264 346699596 /nfs/dbraw/zinc/69/95/96/346699596.db2.gz XNIPESFKJGESHM-IJEWVQPXSA-N 0 3 279.428 2.551 20 30 CFEDHN C=CCCO[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000066312768 346754098 /nfs/dbraw/zinc/75/40/98/346754098.db2.gz HVMKFJCYVSBZEQ-ZDUSSCGKSA-N 0 3 276.380 2.668 20 30 CFEDHN C#CCN1CCC(C(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000067212679 346794492 /nfs/dbraw/zinc/79/44/92/346794492.db2.gz PPWXUJCVWQWLNU-UHFFFAOYSA-N 0 3 296.414 2.527 20 30 CFEDHN C[C@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000076110350 347120431 /nfs/dbraw/zinc/12/04/31/347120431.db2.gz VUPFPPBDWHPKKR-RYUDHWBXSA-N 0 3 282.347 2.696 20 30 CFEDHN C=C(Cl)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000076775482 347152504 /nfs/dbraw/zinc/15/25/04/347152504.db2.gz QMDWDWQHVPJUHF-UHFFFAOYSA-N 0 3 267.760 2.622 20 30 CFEDHN C=CCCCN(C)CC(=O)NC1CCC(C)CC1 ZINC000076801815 347155376 /nfs/dbraw/zinc/15/53/76/347155376.db2.gz ZTHNQYZCFQENAP-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)C1CCC1 ZINC000077358825 347189054 /nfs/dbraw/zinc/18/90/54/347189054.db2.gz STYHHFQPTHLNMV-UHFFFAOYSA-N 0 3 277.412 2.592 20 30 CFEDHN C[C@@H](C(=O)N(CC#N)C1CCCC1)N1CCCCCC1 ZINC000078207593 347232793 /nfs/dbraw/zinc/23/27/93/347232793.db2.gz OGXZVFNGJWNZCG-AWEZNQCLSA-N 0 3 277.412 2.546 20 30 CFEDHN CCCN1CCCN(c2ccc(C#N)cc2F)CC1 ZINC000078251470 347234816 /nfs/dbraw/zinc/23/48/16/347234816.db2.gz CNIRKRCONWARML-UHFFFAOYSA-N 0 3 261.344 2.619 20 30 CFEDHN C=C(C)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000128482622 187373183 /nfs/dbraw/zinc/37/31/83/187373183.db2.gz XFNRGONSVGNNQA-NSHDSACASA-N 0 3 265.353 2.939 20 30 CFEDHN COC1CCN(CCNc2ccc(C#N)c(Cl)c2)CC1 ZINC000080250295 347351046 /nfs/dbraw/zinc/35/10/46/347351046.db2.gz VMSUCMRWTQRPPC-UHFFFAOYSA-N 0 3 293.798 2.734 20 30 CFEDHN CCN(CCC#N)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000084408136 347463272 /nfs/dbraw/zinc/46/32/72/347463272.db2.gz AXZLFTFFTBVKTH-UHFFFAOYSA-N 0 3 299.418 2.661 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(F)cn1 ZINC000090107316 347543078 /nfs/dbraw/zinc/54/30/78/347543078.db2.gz FPVIJTAVBSHQKS-GFCCVEGCSA-N 0 3 285.322 2.822 20 30 CFEDHN C#CCCN1CCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000091480355 347589057 /nfs/dbraw/zinc/58/90/57/347589057.db2.gz OBMGQEALEPARFT-UHFFFAOYSA-N 0 3 297.377 2.828 20 30 CFEDHN C[C@H](CNc1snc(Cl)c1C#N)CN1CCCC1 ZINC000092612787 347634794 /nfs/dbraw/zinc/63/47/94/347634794.db2.gz VEHBMCCNTPALAV-SECBINFHSA-N 0 3 284.816 2.812 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@H]1C[C@@H](C)O ZINC000093482614 347676537 /nfs/dbraw/zinc/67/65/37/347676537.db2.gz IRJUGSRTZCBFAN-ZBFHGGJFSA-N 0 3 275.392 2.987 20 30 CFEDHN CC1CCC(O)(CNCc2cc(C#N)cs2)CC1 ZINC000093688317 347681585 /nfs/dbraw/zinc/68/15/85/347681585.db2.gz LUIFFQIWQDMRSU-UHFFFAOYSA-N 0 3 264.394 2.651 20 30 CFEDHN CCn1nc(C)cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000102115896 347716642 /nfs/dbraw/zinc/71/66/42/347716642.db2.gz ABGOOPFYVNUWKZ-NSHDSACASA-N 0 3 293.330 2.578 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000111693253 347756101 /nfs/dbraw/zinc/75/61/01/347756101.db2.gz ANEMSRBDLHNEAF-OAHLLOKOSA-N 0 3 286.419 2.632 20 30 CFEDHN CCO[C@H]1C[C@@H](NCC(C)(C)C#N)C12CCCC2 ZINC000122259202 347815209 /nfs/dbraw/zinc/81/52/09/347815209.db2.gz DUULAWXQEKOXDE-OLZOCXBDSA-N 0 3 250.386 2.864 20 30 CFEDHN C=CCOc1cccc(CN2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC000668554204 539573349 /nfs/dbraw/zinc/57/33/49/539573349.db2.gz LJUXGYBCXRDZEU-KBPBESRZSA-N 0 3 275.392 2.700 20 30 CFEDHN CC(C)CCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000130717615 347873855 /nfs/dbraw/zinc/87/38/55/347873855.db2.gz KRTAOGAMVFSIGM-UHFFFAOYSA-N 0 3 256.353 2.684 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000668556767 539577702 /nfs/dbraw/zinc/57/77/02/539577702.db2.gz XTNBACXTMDHKRI-SFHVURJKSA-N 0 3 287.403 2.988 20 30 CFEDHN Cc1csc(CCNCc2ccc(C#N)s2)n1 ZINC000135678809 347908306 /nfs/dbraw/zinc/90/83/06/347908306.db2.gz PGUBZFMNZVPPAM-UHFFFAOYSA-N 0 3 263.391 2.717 20 30 CFEDHN COc1ccc([C@H](CCO)NCc2cccc(C#N)c2)cc1 ZINC000128699110 187385288 /nfs/dbraw/zinc/38/52/88/187385288.db2.gz MPWLCGIMBVPGGY-SFHVURJKSA-N 0 3 296.370 2.780 20 30 CFEDHN C[C@@H]1C[C@H](Nc2nc3c(cc2C#N)CCCC3)CCN1C ZINC000157953395 348004266 /nfs/dbraw/zinc/00/42/66/348004266.db2.gz DZPXMPGNVDZFQM-IUODEOHRSA-N 0 3 284.407 2.727 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159701422 348014437 /nfs/dbraw/zinc/01/44/37/348014437.db2.gz OVYXUFXCDPMIRL-HOCLYGCPSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CC[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000186716421 348129756 /nfs/dbraw/zinc/12/97/56/348129756.db2.gz JYBPWOHZADAHRU-STQMWFEESA-N 0 3 279.380 2.600 20 30 CFEDHN CCS[C@@H]1CCC[C@H]1NCc1ccnc(C#N)c1 ZINC000233849421 348218311 /nfs/dbraw/zinc/21/83/11/348218311.db2.gz HUQBLCDPNPTHNI-ZIAGYGMSSA-N 0 3 261.394 2.717 20 30 CFEDHN C=CCOc1ccccc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000668594823 539605181 /nfs/dbraw/zinc/60/51/81/539605181.db2.gz HIVPSBMSMZNTPG-NVXWUHKLSA-N 0 3 273.376 2.720 20 30 CFEDHN C=CCOc1ccc(CNCCSC)cc1OC ZINC000237146772 348238353 /nfs/dbraw/zinc/23/83/53/348238353.db2.gz ABDRCCFZOXTVGP-UHFFFAOYSA-N 0 3 267.394 2.713 20 30 CFEDHN C[C@@H]1C[C@H](N[C@H]2CCC[C@H](C#N)C2)C(=O)N1c1ccccc1 ZINC000248876736 348278614 /nfs/dbraw/zinc/27/86/14/348278614.db2.gz RDPDTTAHNHNKLY-AESZEHBQSA-N 0 3 297.402 2.852 20 30 CFEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@]2(CC=CCC2)C1 ZINC000246411436 348263424 /nfs/dbraw/zinc/26/34/24/348263424.db2.gz RWWFKEWPLXJTKM-DOTOQJQBSA-N 0 3 289.423 2.569 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(Br)cc1F ZINC000273345956 192121467 /nfs/dbraw/zinc/12/14/67/192121467.db2.gz AELLFMPPDWRSPQ-LLVKDONJSA-N 0 3 288.160 2.615 20 30 CFEDHN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000271825620 348332311 /nfs/dbraw/zinc/33/23/11/348332311.db2.gz DAMVMOCBOZUTHT-KSSFIOAISA-N 0 3 296.370 2.973 20 30 CFEDHN N#CC(C(=O)c1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000302221718 348373182 /nfs/dbraw/zinc/37/31/82/348373182.db2.gz KGSMFIYKAOZTDP-ZDUSSCGKSA-N 0 3 298.321 2.634 20 30 CFEDHN C=CCOCCN[C@@H](C)c1ccc(OC)cc1OC ZINC000311554888 348413890 /nfs/dbraw/zinc/41/38/90/348413890.db2.gz MSHCMOCFYPGCPD-LBPRGKRZSA-N 0 3 265.353 2.557 20 30 CFEDHN COc1ccc(CN(C)C)cc1NCc1cc(C#N)n(C)c1 ZINC000318220553 348434388 /nfs/dbraw/zinc/43/43/88/348434388.db2.gz FXSBYNRBDCOVTF-UHFFFAOYSA-N 0 3 298.390 2.579 20 30 CFEDHN Cc1cccc2c1CC(C)(C)N(C(=O)C(C)C#N)C2 ZINC000334528609 348447054 /nfs/dbraw/zinc/44/70/54/348447054.db2.gz OTRUTSYZRUMFJB-GFCCVEGCSA-N 0 3 256.349 2.818 20 30 CFEDHN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)C(C)C#N ZINC000335999109 348450354 /nfs/dbraw/zinc/45/03/54/348450354.db2.gz MCBGKMOPCPLUAR-NHYWBVRUSA-N 0 3 272.348 2.691 20 30 CFEDHN Cc1ccccc1CN1CCC(NC(=O)[C@H](C)CC#N)CC1 ZINC000596829146 349994348 /nfs/dbraw/zinc/99/43/48/349994348.db2.gz JJUPZPZBBCGKFE-OAHLLOKOSA-N 0 3 299.418 2.625 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC000339998648 348454950 /nfs/dbraw/zinc/45/49/50/348454950.db2.gz IQDUZJCOSPMMFK-XUJLQICISA-N 0 3 276.424 2.579 20 30 CFEDHN CCC(C#N)(CC)C(=O)NCCN(C)Cc1ccccc1 ZINC000386692134 348536132 /nfs/dbraw/zinc/53/61/32/348536132.db2.gz RYEOUKZVAXTTQX-UHFFFAOYSA-N 0 3 287.407 2.565 20 30 CFEDHN CO[C@H](CN1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000397615057 348561999 /nfs/dbraw/zinc/56/19/99/348561999.db2.gz OYDKOCCVHKXHGU-GOEBONIOSA-N 0 3 258.365 3.000 20 30 CFEDHN Cc1ccc(CNCc2ccc(CC#N)cc2)cn1 ZINC000398969737 348568060 /nfs/dbraw/zinc/56/80/60/348568060.db2.gz VAEXFSCOGQNKRB-UHFFFAOYSA-N 0 3 251.333 2.746 20 30 CFEDHN C=CCCC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000456323553 348623915 /nfs/dbraw/zinc/62/39/15/348623915.db2.gz FEIYZAAGUTXUOD-MRXNPFEDSA-N 0 3 286.419 2.933 20 30 CFEDHN C#C[C@H](C)N(C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000491812878 348630533 /nfs/dbraw/zinc/63/05/33/348630533.db2.gz OVKWSFKPHRYGAD-LBPRGKRZSA-N 0 3 259.349 2.785 20 30 CFEDHN COC(C)(C)[C@@H](C)NCc1ccc(C#N)cc1F ZINC000585726021 348740425 /nfs/dbraw/zinc/74/04/25/348740425.db2.gz PIWGULHGLLHJMA-SNVBAGLBSA-N 0 3 250.317 2.600 20 30 CFEDHN Cc1noc([C@H]2CCN(Cc3ccc(C#N)cc3C)C2)n1 ZINC000585801073 348745389 /nfs/dbraw/zinc/74/53/89/348745389.db2.gz GWUPQIZOWPLVQP-HNNXBMFYSA-N 0 3 282.347 2.548 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000586793454 348753264 /nfs/dbraw/zinc/75/32/64/348753264.db2.gz DMLBPPKJIXFKSU-JBLDHEPKSA-N 0 3 271.320 2.876 20 30 CFEDHN CCN(Cc1ccnc(C#N)c1)[C@H]1CCOC(C)(C)C1 ZINC000589274712 348824020 /nfs/dbraw/zinc/82/40/20/348824020.db2.gz BCLBEBINTCQXNS-HNNXBMFYSA-N 0 3 273.380 2.733 20 30 CFEDHN COCC[C@H](COC)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000589350339 348829669 /nfs/dbraw/zinc/82/96/69/348829669.db2.gz KDNUJQVRHVJBAN-WBVHZDCISA-N 0 3 288.391 2.577 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CC[C@@H](n2cccn2)C1 ZINC000589747860 348854655 /nfs/dbraw/zinc/85/46/55/348854655.db2.gz WFLRGIXFDPJFII-MRXNPFEDSA-N 0 3 266.348 2.510 20 30 CFEDHN CCN1C[C@H](CN(C)[C@H]2CC[C@H](C#N)C2)Oc2ccccc21 ZINC000590154513 348880333 /nfs/dbraw/zinc/88/03/33/348880333.db2.gz KPQPONRGGISVFG-JYJNAYRXSA-N 0 3 299.418 2.898 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(c3ccccn3)CC2)C1 ZINC000590169094 348881751 /nfs/dbraw/zinc/88/17/51/348881751.db2.gz CWBWEJICRFFBCK-ZFWWWQNUSA-N 0 3 255.365 2.953 20 30 CFEDHN N#CCCN1CCN(CC/C=C/c2ccccc2)CC1 ZINC000590709480 348933691 /nfs/dbraw/zinc/93/36/91/348933691.db2.gz UKCDXVBWWGBGFZ-RUDMXATFSA-N 0 3 269.392 2.621 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757616 348943834 /nfs/dbraw/zinc/94/38/34/348943834.db2.gz NTWHPJIRESJZTP-GDBMZVCRSA-N 0 3 290.363 2.711 20 30 CFEDHN C[C@]12CN(Cc3ccnc(C#N)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590765137 348944891 /nfs/dbraw/zinc/94/48/91/348944891.db2.gz SBYAKSAIJLWCOE-YQFWSFKMSA-N 0 3 267.376 2.821 20 30 CFEDHN CC[C@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H](O)C(F)F ZINC000590779137 348948179 /nfs/dbraw/zinc/94/81/79/348948179.db2.gz GKTNPSZKFABTBU-KKUMJFAQSA-N 0 3 294.345 2.930 20 30 CFEDHN COC(=O)C(C)(C)[C@@H]1CCCN([C@H](C)CCC#N)C1 ZINC000591022857 348979581 /nfs/dbraw/zinc/97/95/81/348979581.db2.gz LNGZOFFSNBJVJQ-CHWSQXEVSA-N 0 3 266.385 2.590 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H](C2CCC2)C1 ZINC000591061922 348983153 /nfs/dbraw/zinc/98/31/53/348983153.db2.gz ONOGWPXUTUKUPZ-KMFMINBZSA-N 0 3 291.439 2.551 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCN(C)C[C@H]1C(C)C ZINC000591849376 349051152 /nfs/dbraw/zinc/05/11/52/349051152.db2.gz KLHSEDHMKSCJHD-KRWDZBQOSA-N 0 3 271.408 2.639 20 30 CFEDHN Cc1occc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000591256819 349004099 /nfs/dbraw/zinc/00/40/99/349004099.db2.gz XLDDTOCDTYODTQ-UHFFFAOYSA-N 0 3 296.374 2.613 20 30 CFEDHN COc1cc(CN[C@@H](C)[C@@H]2CC2(F)F)ccc1C#N ZINC000591266048 349005683 /nfs/dbraw/zinc/00/56/83/349005683.db2.gz RZXFGVYCJHHUKN-CABZTGNLSA-N 0 3 266.291 2.700 20 30 CFEDHN C=CCOc1ccccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000668704140 539705474 /nfs/dbraw/zinc/70/54/74/539705474.db2.gz CAFHBUVAUYUMDW-CVEARBPZSA-N 0 3 273.376 2.720 20 30 CFEDHN N#CCCNC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000591728281 349040193 /nfs/dbraw/zinc/04/01/93/349040193.db2.gz HHKQVJLNJBCYBM-LBPRGKRZSA-N 0 3 263.772 2.670 20 30 CFEDHN C[C@@H]1CN(Cc2ccncc2C#N)[C@H]2CCCC[C@H]12 ZINC000592101950 349083052 /nfs/dbraw/zinc/08/30/52/349083052.db2.gz VCNOQGSMGJYNBD-WQVCFCJDSA-N 0 3 255.365 2.964 20 30 CFEDHN C[C@@H](CCSc1ccccc1)N1CC[C@](O)(CC#N)C1 ZINC000592151472 349091742 /nfs/dbraw/zinc/09/17/42/349091742.db2.gz MGRPSHYCUWPDQO-GOEBONIOSA-N 0 3 290.432 2.908 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1C1CCC1 ZINC000592199077 349099138 /nfs/dbraw/zinc/09/91/38/349099138.db2.gz WELZQSJPAROAST-HOCLYGCPSA-N 0 3 291.439 2.649 20 30 CFEDHN CCc1c(C)nc2ccccc2c1N1CC[C@@](O)(CC#N)C1 ZINC000591973137 349067650 /nfs/dbraw/zinc/06/76/50/349067650.db2.gz BUURMKAQWBXEMC-SFHVURJKSA-N 0 3 295.386 2.961 20 30 CFEDHN CC[C@@H](C)C[C@H](CO)NCc1cc(C#N)cs1 ZINC000592375111 349111166 /nfs/dbraw/zinc/11/11/66/349111166.db2.gz QRKWESQBLRPIEC-ZYHUDNBSSA-N 0 3 252.383 2.506 20 30 CFEDHN CCCC[C@](C)(CO)NCc1ccc(C#N)c(F)c1 ZINC000592374056 349111316 /nfs/dbraw/zinc/11/13/16/349111316.db2.gz AZYSRFFZKXKBJL-OAHLLOKOSA-N 0 3 264.344 2.728 20 30 CFEDHN CC[C@@H](C)C[C@@H](CO)NCc1ccc(C#N)cc1F ZINC000592374791 349111339 /nfs/dbraw/zinc/11/13/39/349111339.db2.gz JDCQRJSSYVRASA-RISCZKNCSA-N 0 3 264.344 2.584 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(CO)cc1)CC2 ZINC000592392867 349114169 /nfs/dbraw/zinc/11/41/69/349114169.db2.gz AYZCQNRSLODUKW-GOSISDBHSA-N 0 3 278.355 2.828 20 30 CFEDHN N#Cc1cnn2cc(CN(C3CC3)C3CCCCC3)cnc12 ZINC000592497933 349128377 /nfs/dbraw/zinc/12/83/77/349128377.db2.gz KOJLBYRCCAPHEV-UHFFFAOYSA-N 0 3 295.390 2.898 20 30 CFEDHN CCCC[C@H](CC)CCN1CC[C@](O)(CC#N)C1 ZINC000592522155 349132312 /nfs/dbraw/zinc/13/23/12/349132312.db2.gz IICFMMOKYVYLHP-LSDHHAIUSA-N 0 3 252.402 2.943 20 30 CFEDHN C[C@@H](CCN1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592522287 349132681 /nfs/dbraw/zinc/13/26/81/349132681.db2.gz KPRDJPNCXNFWSC-HOCLYGCPSA-N 0 3 258.365 2.531 20 30 CFEDHN C[C@H](CCN1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592522285 349132828 /nfs/dbraw/zinc/13/28/28/349132828.db2.gz KPRDJPNCXNFWSC-GDBMZVCRSA-N 0 3 258.365 2.531 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000593012551 349186933 /nfs/dbraw/zinc/18/69/33/349186933.db2.gz YPJNMVGZVOKIFX-CQSZACIVSA-N 0 3 271.320 2.841 20 30 CFEDHN O=C(NCC1(CO)CCC1)[C@H]1CCCN1C1CCCC1 ZINC000329760901 539726364 /nfs/dbraw/zinc/72/63/64/539726364.db2.gz QTIUFNXYSGIUHG-CQSZACIVSA-N 0 3 280.412 2.513 20 30 CFEDHN N#Cc1ccccc1OCCN1CC[C@]2(CC2(F)F)C1 ZINC000593118359 349214605 /nfs/dbraw/zinc/21/46/05/349214605.db2.gz VLEXECAQVCLYBJ-AWEZNQCLSA-N 0 3 278.302 2.668 20 30 CFEDHN COc1ccc(C2CCN(CCCC#N)CC2)nc1 ZINC000593041976 349193134 /nfs/dbraw/zinc/19/31/34/349193134.db2.gz UINJJEKNTYIUJG-UHFFFAOYSA-N 0 3 259.353 2.573 20 30 CFEDHN CC[C@@H]1CN(CCCSCC#N)[C@H](CC)CO1 ZINC000593059728 349197456 /nfs/dbraw/zinc/19/74/56/349197456.db2.gz SNSYFVGRQYEFOI-CHWSQXEVSA-N 0 3 256.415 2.523 20 30 CFEDHN C[C@@H](NC1(C2CCC2)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000593082263 349203658 /nfs/dbraw/zinc/20/36/58/349203658.db2.gz UTFYDPIZJKXYJG-GFCCVEGCSA-N 0 3 283.375 2.808 20 30 CFEDHN Cc1cc(C#N)ccc1CN1CCC([C@H](C)CO)CC1 ZINC000593084050 349204509 /nfs/dbraw/zinc/20/45/09/349204509.db2.gz PHENQEWAZCWMRU-CQSZACIVSA-N 0 3 272.392 2.707 20 30 CFEDHN COc1ccc(C#N)cc1CNC1(C2CCC2)CC1 ZINC000593082997 349204653 /nfs/dbraw/zinc/20/46/53/349204653.db2.gz TYCPFZRKPODZTP-UHFFFAOYSA-N 0 3 256.349 2.989 20 30 CFEDHN C[C@@H](CO)C1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000593082844 349204917 /nfs/dbraw/zinc/20/49/17/349204917.db2.gz IOMNHWFKERRUNR-UONOGXRCSA-N 0 3 272.392 2.960 20 30 CFEDHN CCOC(=O)C(C)(C)CCC[C@@H](C)NC[C@@H](C)C#N ZINC000593615450 349299025 /nfs/dbraw/zinc/29/90/25/349299025.db2.gz PLMDERRERKCHDZ-QWHCGFSZSA-N 0 3 268.401 2.884 20 30 CFEDHN C[C@@H](C(=O)N1Cc2cccc(C#N)c2C1)N1[C@H](C)CC[C@@H]1C ZINC000593890578 349333483 /nfs/dbraw/zinc/33/34/83/349333483.db2.gz FPFPOGZIMFOXNK-MJBXVCDLSA-N 0 3 297.402 2.662 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](c3ccco3)C2)nc1 ZINC000593958121 349340104 /nfs/dbraw/zinc/34/01/04/349340104.db2.gz ONVYCDLWZIBMCZ-ZDUSSCGKSA-N 0 3 253.305 2.536 20 30 CFEDHN N#CCCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000593961144 349340902 /nfs/dbraw/zinc/34/09/02/349340902.db2.gz FKMXGIGTBIYARK-UHFFFAOYSA-N 0 3 299.418 2.851 20 30 CFEDHN CCCn1ccnc1CCCN(C)Cc1ccc(C#N)cn1 ZINC000593979630 349345136 /nfs/dbraw/zinc/34/51/36/349345136.db2.gz ZTSFQBXBDZECBY-UHFFFAOYSA-N 0 3 297.406 2.624 20 30 CFEDHN CCC[C@@H](O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594035883 349359061 /nfs/dbraw/zinc/35/90/61/349359061.db2.gz VMAMFOSSSLCITE-OAHLLOKOSA-N 0 3 258.365 2.688 20 30 CFEDHN Cn1cc([C@@H]2CN([C@H]3CC[C@@H](C#N)C3)CC2(C)C)cn1 ZINC000593998774 349349240 /nfs/dbraw/zinc/34/92/40/349349240.db2.gz YOSYKLQOKAFNJC-SNPRPXQTSA-N 0 3 272.396 2.538 20 30 CFEDHN CC[C@@H](NCCOCCC#N)c1ccccc1F ZINC000594017759 349354734 /nfs/dbraw/zinc/35/47/34/349354734.db2.gz MUUKMOPNQWJILJ-CQSZACIVSA-N 0 3 250.317 2.797 20 30 CFEDHN N#Cc1csc(CNC[C@@]2(CO)CCc3ccccc32)c1 ZINC000593652868 349303619 /nfs/dbraw/zinc/30/36/19/349303619.db2.gz NPLPVYIBKMCSON-QGZVFWFLSA-N 0 3 298.411 2.586 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)o1 ZINC000593678182 349308570 /nfs/dbraw/zinc/30/85/70/349308570.db2.gz LSKSJNKZWCTQJW-CJNGLKHVSA-N 0 3 283.331 2.556 20 30 CFEDHN C[C@H](N[C@H]1CCC[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000414337217 233228952 /nfs/dbraw/zinc/22/89/52/233228952.db2.gz KTBHIYOJCKYSFL-YUTCNCBUSA-N 0 3 276.355 2.899 20 30 CFEDHN CCCN(CCN1CCCCCC1)C(=O)[C@H](C#N)CC ZINC000593716294 349313734 /nfs/dbraw/zinc/31/37/34/349313734.db2.gz TVTPSJGFAWNRKJ-HNNXBMFYSA-N 0 3 279.428 2.651 20 30 CFEDHN CC(C#N)C(=O)NCC1(c2ccccc2F)CCC1 ZINC000593762892 349322766 /nfs/dbraw/zinc/32/27/66/349322766.db2.gz YEXVBADKMCPALZ-NSHDSACASA-N 0 3 260.312 2.523 20 30 CFEDHN N#CCCCCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594230675 349396779 /nfs/dbraw/zinc/39/67/79/349396779.db2.gz NJOZYVYHSRWALF-QGZVFWFLSA-N 0 3 299.418 2.851 20 30 CFEDHN CC[C@@H](NCc1ccccc1C#N)[C@H]1CCCCO1 ZINC000594040158 349359699 /nfs/dbraw/zinc/35/96/99/349359699.db2.gz DSDCYZLNFIYIFG-HZPDHXFCSA-N 0 3 258.365 2.996 20 30 CFEDHN C[C@H]1c2ccccc2CN1C(=O)[C@@H](N)CCCCC#N ZINC000594445041 349423500 /nfs/dbraw/zinc/42/35/00/349423500.db2.gz NZGRXLWUQBRXAR-WFASDCNBSA-N 0 3 271.364 2.501 20 30 CFEDHN CC(C)(NC(=O)[C@H](N)CCCCC#N)c1cccc(F)c1 ZINC000594446108 349424820 /nfs/dbraw/zinc/42/48/20/349424820.db2.gz PXRUXXUTLVAGEI-CQSZACIVSA-N 0 3 291.370 2.588 20 30 CFEDHN C[C@@H](Cn1ccnc1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495695 349430191 /nfs/dbraw/zinc/43/01/91/349430191.db2.gz SKNKZFKDRYGDIU-AWEZNQCLSA-N 0 3 282.391 2.863 20 30 CFEDHN COC(=O)C[C@H]1CCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012204 350016335 /nfs/dbraw/zinc/01/63/35/350016335.db2.gz PJEJPXQFQVCMGH-MRXNPFEDSA-N 0 3 298.386 2.769 20 30 CFEDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018066 350017083 /nfs/dbraw/zinc/01/70/83/350017083.db2.gz AESAHOWDLNHLMC-KRWDZBQOSA-N 0 3 298.386 2.627 20 30 CFEDHN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1cccc(C#N)c1 ZINC000597061050 350023551 /nfs/dbraw/zinc/02/35/51/350023551.db2.gz IXAHGVSLXHXKBI-KNXALSJPSA-N 0 3 256.349 2.776 20 30 CFEDHN CC[C@@H](CC#N)N[C@@H](C)CC(C)(C)CC(=O)OC ZINC000597088016 350029281 /nfs/dbraw/zinc/02/92/81/350029281.db2.gz XSEYNAKXTUDBRM-RYUDHWBXSA-N 0 3 254.374 2.636 20 30 CFEDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H](C)CC#N ZINC000597111521 350030797 /nfs/dbraw/zinc/03/07/97/350030797.db2.gz QBSPQLUXOMKNMZ-CQSZACIVSA-N 0 3 287.407 2.646 20 30 CFEDHN C[C@@H]1[C@H](NC(=O)CCCCC#N)CCN1Cc1ccccc1 ZINC000594361235 349411209 /nfs/dbraw/zinc/41/12/09/349411209.db2.gz PCFSEDXXPLMSMF-NVXWUHKLSA-N 0 3 299.418 2.850 20 30 CFEDHN CC(C)CCC[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594424367 349416883 /nfs/dbraw/zinc/41/68/83/349416883.db2.gz BTKORHKYXPULFY-KGLIPLIRSA-N 0 3 267.417 2.729 20 30 CFEDHN CC(C)N(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594426343 349417643 /nfs/dbraw/zinc/41/76/43/349417643.db2.gz OJCHTVHATXHIKC-MRXNPFEDSA-N 0 3 287.407 2.835 20 30 CFEDHN CCc1cccc(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594426099 349417673 /nfs/dbraw/zinc/41/76/73/349417673.db2.gz MYVLSOOHFVHRLG-AWEZNQCLSA-N 0 3 259.353 2.599 20 30 CFEDHN C=CCN(Cc1ccccc1)C(=O)[C@H](N)CCCCC#N ZINC000594426483 349417755 /nfs/dbraw/zinc/41/77/55/349417755.db2.gz DDNSOJWJNDAMDF-MRXNPFEDSA-N 0 3 285.391 2.612 20 30 CFEDHN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594425905 349418024 /nfs/dbraw/zinc/41/80/24/349418024.db2.gz MSQRVJILIGEQRW-HIFRSBDPSA-N 0 3 273.380 2.584 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)NCCCC1CCCCC1 ZINC000594425896 349418031 /nfs/dbraw/zinc/41/80/31/349418031.db2.gz BHVVONOXPGYKAA-OAHLLOKOSA-N 0 3 279.428 2.874 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)NCCCC1CCCCC1 ZINC000594425891 349418057 /nfs/dbraw/zinc/41/80/57/349418057.db2.gz BHVVONOXPGYKAA-HNNXBMFYSA-N 0 3 279.428 2.874 20 30 CFEDHN C[C@@H](NC(=O)[C@@H](N)CCCCC#N)c1ccc(F)cc1F ZINC000594427806 349418519 /nfs/dbraw/zinc/41/85/19/349418519.db2.gz WMPIJWHNXJZLKT-YGRLFVJLSA-N 0 3 295.333 2.553 20 30 CFEDHN COc1ccc(Cl)cc1NC(=O)[C@H](N)CCCCC#N ZINC000594427902 349418674 /nfs/dbraw/zinc/41/86/74/349418674.db2.gz XCHZYSNAQDRHBC-LLVKDONJSA-N 0 3 295.770 2.698 20 30 CFEDHN N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000594430202 349419690 /nfs/dbraw/zinc/41/96/90/349419690.db2.gz WRQMTGQMMRACTD-JKSUJKDBSA-N 0 3 285.391 2.761 20 30 CFEDHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000594430201 349419715 /nfs/dbraw/zinc/41/97/15/349419715.db2.gz WRQMTGQMMRACTD-HZPDHXFCSA-N 0 3 285.391 2.761 20 30 CFEDHN CCCCN(CC(F)(F)F)C(=O)[C@H](N)CCCCC#N ZINC000594429569 349419890 /nfs/dbraw/zinc/41/98/90/349419890.db2.gz UJBRSENWCZNTTF-LLVKDONJSA-N 0 3 293.333 2.589 20 30 CFEDHN Cc1cc(C)cc(N(C)C(=O)[C@H](N)CCCCC#N)c1 ZINC000594429246 349420123 /nfs/dbraw/zinc/42/01/23/349420123.db2.gz RJDVTASQUYZMEF-OAHLLOKOSA-N 0 3 273.380 2.678 20 30 CFEDHN Cc1cccc([C@@H](C)CNC(=O)[C@H](N)CCCCC#N)c1 ZINC000594432683 349420729 /nfs/dbraw/zinc/42/07/29/349420729.db2.gz FZYGVZYVFWRGHB-GOEBONIOSA-N 0 3 287.407 2.626 20 30 CFEDHN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H](N)CCCCC#N)C1 ZINC000594434990 349421640 /nfs/dbraw/zinc/42/16/40/349421640.db2.gz YFXGMISOUGGYJG-QLFBSQMISA-N 0 3 279.428 2.729 20 30 CFEDHN C[C@@H](CC#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000597131581 350035465 /nfs/dbraw/zinc/03/54/65/350035465.db2.gz AVWWYAGIOCMBOE-KBPBESRZSA-N 0 3 287.407 2.782 20 30 CFEDHN COC(=O)c1oc(CN[C@H]2CC[C@@H](CC#N)C2)cc1C ZINC000597137086 350036994 /nfs/dbraw/zinc/03/69/94/350036994.db2.gz MSRPDHWRGNXLPZ-RYUDHWBXSA-N 0 3 276.336 2.547 20 30 CFEDHN CN(CC1CCN(C)CC1)C(=O)CC1(C#N)CCCCC1 ZINC000597152173 350039557 /nfs/dbraw/zinc/03/95/57/350039557.db2.gz XBDMJLIZQQRHLO-UHFFFAOYSA-N 0 3 291.439 2.651 20 30 CFEDHN CC(C)CN(CCN(C)C)C(=O)CC1(C#N)CCCCC1 ZINC000597159474 350042125 /nfs/dbraw/zinc/04/21/25/350042125.db2.gz LVHWPWHURUQWRM-UHFFFAOYSA-N 0 3 293.455 2.897 20 30 CFEDHN COCCOc1ccc(CN2CCC[C@@H](CC#N)C2)cc1 ZINC000597173342 350043533 /nfs/dbraw/zinc/04/35/33/350043533.db2.gz JEPXOKDHUWWMLA-HNNXBMFYSA-N 0 3 288.391 2.837 20 30 CFEDHN Cn1cnc2cc(CN3CCC[C@H](CC#N)C3)ccc21 ZINC000597177863 350045699 /nfs/dbraw/zinc/04/56/99/350045699.db2.gz RJTYPYSETZSSKP-CYBMUJFWSA-N 0 3 268.364 2.699 20 30 CFEDHN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000597187943 350048071 /nfs/dbraw/zinc/04/80/71/350048071.db2.gz TXNDNWBJSUEIAZ-AWEZNQCLSA-N 0 3 290.407 2.908 20 30 CFEDHN CN(Cc1ccc(C#N)cc1C(F)(F)F)CC1CN(C)C1 ZINC000597205319 350055359 /nfs/dbraw/zinc/05/53/59/350055359.db2.gz IQORCSMKWVOOGL-UHFFFAOYSA-N 0 3 297.324 2.570 20 30 CFEDHN C[C@H](CC#N)C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000597530009 350108667 /nfs/dbraw/zinc/10/86/67/350108667.db2.gz AIAKCKSHTUAPSH-RHSMWYFYSA-N 0 3 299.418 2.563 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CO)c2ccc(F)cc2)s1 ZINC000414536401 233286479 /nfs/dbraw/zinc/28/64/79/233286479.db2.gz XMWSPJLNCNXGTQ-LBPRGKRZSA-N 0 3 290.363 2.625 20 30 CFEDHN C=CCCOCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090883599 180052864 /nfs/dbraw/zinc/05/28/64/180052864.db2.gz PEFWQWBFEPVWOW-LBPRGKRZSA-N 0 3 264.325 2.838 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@]12C[C@@H]1CCC2 ZINC000597890899 350150013 /nfs/dbraw/zinc/15/00/13/350150013.db2.gz UWUUHKPQQOMAEX-ZOBUZTSGSA-N 0 3 268.360 2.818 20 30 CFEDHN CN(C)Cc1cccc(C(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597910158 350155412 /nfs/dbraw/zinc/15/54/12/350155412.db2.gz WLFJZILQDLUQIO-AWEZNQCLSA-N 0 3 285.391 2.514 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC(CCC(N)=O)CC1 ZINC000271268204 191039636 /nfs/dbraw/zinc/03/96/36/191039636.db2.gz WNPVVUYUHKJTFE-CYBMUJFWSA-N 0 3 285.391 2.597 20 30 CFEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C1CC1 ZINC000598234628 350222283 /nfs/dbraw/zinc/22/22/83/350222283.db2.gz UQOBUJUKJBNHIY-HOTGVXAUSA-N 0 3 281.359 2.545 20 30 CFEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)CCCCCC#N ZINC000598259662 350225130 /nfs/dbraw/zinc/22/51/30/350225130.db2.gz DERBOMKBLLPHKJ-HNNXBMFYSA-N 0 3 279.428 2.697 20 30 CFEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C1(C#N)CCCCC1 ZINC000598261057 350225739 /nfs/dbraw/zinc/22/57/39/350225739.db2.gz DCOUPHZVDURSLG-OAHLLOKOSA-N 0 3 291.439 2.697 20 30 CFEDHN C=C[C@H](CO)NC/C(C)=C/c1ccc(Cl)cc1 ZINC000668755577 539782923 /nfs/dbraw/zinc/78/29/23/539782923.db2.gz PZDNNVURYVNBJX-BMGYJQCNSA-N 0 3 251.757 2.880 20 30 CFEDHN COCC#CCN1CCC[C@H]1Cc1ccccc1C ZINC000677816948 539788880 /nfs/dbraw/zinc/78/88/80/539788880.db2.gz FJOZYFNISONXMZ-KRWDZBQOSA-N 0 3 257.377 2.652 20 30 CFEDHN CC(C)[C@H]1CN(C(=O)c2ccc(C(C)(C)C#N)cc2)CCN1 ZINC000598572104 350283978 /nfs/dbraw/zinc/28/39/78/350283978.db2.gz KZARNIVUYVBGLH-MRXNPFEDSA-N 0 3 299.418 2.558 20 30 CFEDHN Cc1cc(CN2CC(C)(C)CC[C@H]2CO)ccc1C#N ZINC000598650028 350302354 /nfs/dbraw/zinc/30/23/54/350302354.db2.gz XJMDKZWAUJDFBT-INIZCTEOSA-N 0 3 272.392 2.850 20 30 CFEDHN COc1ccc(Cl)cc1CNC[C@H](O)CC(C)(C)C#N ZINC000598699496 350312134 /nfs/dbraw/zinc/31/21/34/350312134.db2.gz FDSVDBBPMQWTAY-CYBMUJFWSA-N 0 3 296.798 2.739 20 30 CFEDHN COCC#CCN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000677818535 539792612 /nfs/dbraw/zinc/79/26/12/539792612.db2.gz RCLDIEHLROLLEK-UHFFFAOYSA-N 0 3 297.402 2.591 20 30 CFEDHN CC(C)Oc1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598721803 350318508 /nfs/dbraw/zinc/31/85/08/350318508.db2.gz ZXRZXASNUODNCT-OAHLLOKOSA-N 0 3 290.407 2.864 20 30 CFEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCOc2c(F)cccc21 ZINC000598725014 350319368 /nfs/dbraw/zinc/31/93/68/350319368.db2.gz SVZZHJSTSIASNS-RISCZKNCSA-N 0 3 292.354 2.540 20 30 CFEDHN Cc1cccc(OCCN(C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598587203 350286592 /nfs/dbraw/zinc/28/65/92/350286592.db2.gz PCRKWGHMZSPXPI-OAHLLOKOSA-N 0 3 290.407 2.606 20 30 CFEDHN CC(C)(C#N)C[C@H](O)CN1CC[C@@H]1c1ccccc1 ZINC000598591420 350288214 /nfs/dbraw/zinc/28/82/14/350288214.db2.gz AVWUOGOTRRJUHH-LSDHHAIUSA-N 0 3 258.365 2.734 20 30 CFEDHN Cc1cccnc1[C@H](NC[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598595321 350289167 /nfs/dbraw/zinc/28/91/67/350289167.db2.gz ICMVUTZVBYKZBA-HUUCEWRRSA-N 0 3 289.423 2.978 20 30 CFEDHN COc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)cc1F ZINC000598598557 350290021 /nfs/dbraw/zinc/29/00/21/350290021.db2.gz BDXIYSQJZNGKNM-DGCLKSJQSA-N 0 3 294.370 2.786 20 30 CFEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000598600788 350290978 /nfs/dbraw/zinc/29/09/78/350290978.db2.gz JZYNBBHEUWNTAV-WFASDCNBSA-N 0 3 271.364 2.510 20 30 CFEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000598600786 350291225 /nfs/dbraw/zinc/29/12/25/350291225.db2.gz JZYNBBHEUWNTAV-IUODEOHRSA-N 0 3 271.364 2.510 20 30 CFEDHN COc1ccccc1[C@H](C)NC[C@@H](O)CC(C)(C)C#N ZINC000598601766 350291704 /nfs/dbraw/zinc/29/17/04/350291704.db2.gz VXOPLRNTDWXKGR-STQMWFEESA-N 0 3 276.380 2.647 20 30 CFEDHN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1nc(C)cs1 ZINC000598611154 350292740 /nfs/dbraw/zinc/29/27/40/350292740.db2.gz GGTLGNDBUUSVSH-NWDGAFQWSA-N 0 3 281.425 2.793 20 30 CFEDHN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1c(C)noc1C ZINC000598612117 350293504 /nfs/dbraw/zinc/29/35/04/350293504.db2.gz LLPIVPBTTJFKAK-QWHCGFSZSA-N 0 3 279.384 2.633 20 30 CFEDHN C=CCSCCNCc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598962743 350349522 /nfs/dbraw/zinc/34/95/22/350349522.db2.gz JHWQYGVTGVPRLQ-UHFFFAOYSA-N 0 3 296.436 2.817 20 30 CFEDHN Cc1cccc2c1C[C@H](NCc1ccc(C#N)cc1)CO2 ZINC000598987171 350353915 /nfs/dbraw/zinc/35/39/15/350353915.db2.gz OCIKHTSSJYLNKL-INIZCTEOSA-N 0 3 278.355 2.960 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3CO2)cc1 ZINC000598989603 350354698 /nfs/dbraw/zinc/35/46/98/350354698.db2.gz NGTVIDGEVKNTCR-SFHVURJKSA-N 0 3 278.355 2.789 20 30 CFEDHN Cc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)ccc1C#N ZINC000599011021 350358340 /nfs/dbraw/zinc/35/83/40/350358340.db2.gz WNCKBUXGAJRNIC-HZPDHXFCSA-N 0 3 256.349 2.524 20 30 CFEDHN C[C@@H](CC#N)C(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000598806606 350331099 /nfs/dbraw/zinc/33/10/99/350331099.db2.gz CBJGUQISZZQKMH-AWEZNQCLSA-N 0 3 285.391 2.664 20 30 CFEDHN CC[C@@H]1CCC[C@@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000598819486 350333971 /nfs/dbraw/zinc/33/39/71/350333971.db2.gz IQUCLOFAGNZKOD-IKGGRYGDSA-N 0 3 295.386 2.935 20 30 CFEDHN Cc1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1C#N ZINC000599423314 350433637 /nfs/dbraw/zinc/43/36/37/350433637.db2.gz BFUJWVRXSRJXKE-MRXNPFEDSA-N 0 3 258.365 2.866 20 30 CFEDHN CO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599433904 350436350 /nfs/dbraw/zinc/43/63/50/350436350.db2.gz MHICUEQTFWVZDV-CZUORRHYSA-N 0 3 258.365 2.724 20 30 CFEDHN Cc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1C#N ZINC000599319623 350414086 /nfs/dbraw/zinc/41/40/86/350414086.db2.gz OQJHNAMVOUWUMN-CVEARBPZSA-N 0 3 288.416 2.573 20 30 CFEDHN Cc1cc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)ccc1F ZINC000599355232 350421557 /nfs/dbraw/zinc/42/15/57/350421557.db2.gz WOEOLKXDIIXXCA-TZMCWYRMSA-N 0 3 276.355 2.840 20 30 CFEDHN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1nc(C)cs1 ZINC000599360232 350423257 /nfs/dbraw/zinc/42/32/57/350423257.db2.gz UWUDLNZDORJJQR-NEPJUHHUSA-N 0 3 279.409 2.547 20 30 CFEDHN Cc1ccc(CN2CC[C@]3(C2)CCCOC3)cc1C#N ZINC000599405472 350431887 /nfs/dbraw/zinc/43/18/87/350431887.db2.gz WAWOBDYBPHTAIV-KRWDZBQOSA-N 0 3 270.376 2.869 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CC(C)(C)CCC1(C)C ZINC000599537270 350453004 /nfs/dbraw/zinc/45/30/04/350453004.db2.gz CORHFRJEGGNBPF-UHFFFAOYSA-N 0 3 279.428 2.649 20 30 CFEDHN C=C(C)CN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599590446 350461089 /nfs/dbraw/zinc/46/10/89/350461089.db2.gz XGXHTGMSKAGDBW-STQMWFEESA-N 0 3 253.386 2.862 20 30 CFEDHN Cc1ccc(CN2CC[C@@H](OC(C)C)C2)cc1C#N ZINC000599450380 350440406 /nfs/dbraw/zinc/44/04/06/350440406.db2.gz TUEKYOYAQQCSKX-MRXNPFEDSA-N 0 3 258.365 2.866 20 30 CFEDHN CC[C@H](NCC(=O)NC1(C#N)CCC1)c1cc(C)ccc1C ZINC000599646077 350470699 /nfs/dbraw/zinc/47/06/99/350470699.db2.gz SUPQFWNUVOBNSL-INIZCTEOSA-N 0 3 299.418 2.907 20 30 CFEDHN C[C@H]1CC[C@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000599679434 350480680 /nfs/dbraw/zinc/48/06/80/350480680.db2.gz ZYNBOINWFIPNCQ-XJKSGUPXSA-N 0 3 270.376 2.678 20 30 CFEDHN CC(C)CC[C@@H](O)CN1CCc2c(CC#N)cccc2C1 ZINC000599679042 350480839 /nfs/dbraw/zinc/48/08/39/350480839.db2.gz VEEWNVRRRHFTHW-QGZVFWFLSA-N 0 3 286.419 2.908 20 30 CFEDHN C=CCN1CCC(OCc2ccccc2OC)CC1 ZINC000092422327 180383724 /nfs/dbraw/zinc/38/37/24/180383724.db2.gz KSMMWMQOTUNXBC-UHFFFAOYSA-N 0 3 261.365 2.862 20 30 CFEDHN N#Cc1ccc(CCNCc2cnc(C3CC3)o2)cc1 ZINC000600176194 350532071 /nfs/dbraw/zinc/53/20/71/350532071.db2.gz CZQHTBKXRJXPQU-UHFFFAOYSA-N 0 3 267.332 2.756 20 30 CFEDHN N#CC1CCC(CNCc2cnc(C3CC3)o2)CC1 ZINC000600158126 350524235 /nfs/dbraw/zinc/52/42/35/350524235.db2.gz HHIONDFJRAMNOY-UHFFFAOYSA-N 0 3 259.353 2.972 20 30 CFEDHN CCC(C#N)(CC)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600228948 350543835 /nfs/dbraw/zinc/54/38/35/350543835.db2.gz IBSSXZKGRHTQLY-OAHLLOKOSA-N 0 3 291.439 2.840 20 30 CFEDHN N#CCCCCCC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000600229312 350544644 /nfs/dbraw/zinc/54/46/44/350544644.db2.gz JBJWKSBALUBGPP-MRXNPFEDSA-N 0 3 291.439 2.984 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000600364454 350550451 /nfs/dbraw/zinc/55/04/51/350550451.db2.gz KXTCTGAYBSIYGJ-YESZJQIVSA-N 0 3 298.386 2.539 20 30 CFEDHN N#CC1(CNCC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000600733728 350602851 /nfs/dbraw/zinc/60/28/51/350602851.db2.gz BXPCZDZFCQGDOH-UHFFFAOYSA-N 0 3 284.403 2.969 20 30 CFEDHN N#CC1(C[C@H](O)CN[C@@H]2CCSc3ccccc32)CC1 ZINC000600714126 350599958 /nfs/dbraw/zinc/59/99/58/350599958.db2.gz JLLDKFQEBJOIPM-GXTWGEPZSA-N 0 3 288.416 2.868 20 30 CFEDHN CCC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccn1 ZINC000600723527 350601367 /nfs/dbraw/zinc/60/13/67/350601367.db2.gz VKNAWWMZLKJWMJ-UONOGXRCSA-N 0 3 273.380 2.567 20 30 CFEDHN C[C@@H]1C[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@H](C)O1 ZINC000600859783 350619980 /nfs/dbraw/zinc/61/99/80/350619980.db2.gz LWKZEFIDXNZKCI-WWGRRREGSA-N 0 3 270.376 2.897 20 30 CFEDHN CCc1ccc([C@@H]2CNCCN2Cc2ccc(C#N)o2)cc1 ZINC000600767711 350607731 /nfs/dbraw/zinc/60/77/31/350607731.db2.gz CKFHCGHSFHJLDZ-SFHVURJKSA-N 0 3 295.386 2.860 20 30 CFEDHN CCN(C(=O)[C@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000110061211 186283791 /nfs/dbraw/zinc/28/37/91/186283791.db2.gz KKZCZZQYXLYWCL-CZUORRHYSA-N 0 3 285.391 2.562 20 30 CFEDHN CN1CCC(n2cc(Nc3cccc(F)c3C#N)cn2)CC1 ZINC000601227048 350702847 /nfs/dbraw/zinc/70/28/47/350702847.db2.gz QHFNYSGILIUMMA-UHFFFAOYSA-N 0 3 299.353 2.904 20 30 CFEDHN CCc1ccc2nccc(N3CCN(CCC#N)CC3)c2c1 ZINC000601261480 350711596 /nfs/dbraw/zinc/71/15/96/350711596.db2.gz GEHCJFYJNSPWJH-UHFFFAOYSA-N 0 3 294.402 2.833 20 30 CFEDHN CCOC(=O)C1(C)CC(NC2(c3cccc(C#N)c3)CC2)C1 ZINC000601273424 350714441 /nfs/dbraw/zinc/71/44/41/350714441.db2.gz HKLUTNGBYQWAIF-UHFFFAOYSA-N 0 3 298.386 2.869 20 30 CFEDHN CN1CC[C@H]2CCN(c3ncc(C#N)c4ccsc43)[C@@H]2C1 ZINC000601139531 350679594 /nfs/dbraw/zinc/67/95/94/350679594.db2.gz DVUIZKJFICAORW-SMDDNHRTSA-N 0 3 298.415 2.698 20 30 CFEDHN C[C@](CO)(Cc1ccccc1F)NCc1cccc(C#N)c1 ZINC000601152102 350682977 /nfs/dbraw/zinc/68/29/77/350682977.db2.gz ANZUXVRHJXOLFT-GOSISDBHSA-N 0 3 298.361 2.781 20 30 CFEDHN N#Cc1cccc(CNCc2cccc3c2CCOC3)c1 ZINC000601156061 350683608 /nfs/dbraw/zinc/68/36/08/350683608.db2.gz QPMRKWYERLMQDX-UHFFFAOYSA-N 0 3 278.355 2.921 20 30 CFEDHN N#Cc1ccc(CNCC2([C@H]3CCCCO3)CCC2)o1 ZINC000601156015 350683740 /nfs/dbraw/zinc/68/37/40/350683740.db2.gz PUKWZFZXKQZZOZ-OAHLLOKOSA-N 0 3 274.364 2.980 20 30 CFEDHN CCC1(c2ccccc2)CN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000601960191 350819555 /nfs/dbraw/zinc/81/95/55/350819555.db2.gz QNGILZOIZOSGHZ-MRXNPFEDSA-N 0 3 284.403 2.705 20 30 CFEDHN Cc1scc(CNC[C@H](O)CC(C)(C)C#N)c1C ZINC000601966341 350820888 /nfs/dbraw/zinc/82/08/88/350820888.db2.gz COZZMAYXUCLFIP-CYBMUJFWSA-N 0 3 266.410 2.755 20 30 CFEDHN CC(C)(CCC#N)CN1CCO[C@@H](C(F)F)CC1 ZINC000601969435 350821891 /nfs/dbraw/zinc/82/18/91/350821891.db2.gz DCHJYLZTFQOFFG-LLVKDONJSA-N 0 3 260.328 2.672 20 30 CFEDHN C[C@@H]1CCCN(CCNCc2cccc(F)c2C#N)C1 ZINC000602006271 350829169 /nfs/dbraw/zinc/82/91/69/350829169.db2.gz RQYNRMUXBHEZGG-CYBMUJFWSA-N 0 3 275.371 2.519 20 30 CFEDHN C[C@@H]1C[C@@H](CCNCc2cccc(F)c2C#N)CCO1 ZINC000602014803 350831276 /nfs/dbraw/zinc/83/12/76/350831276.db2.gz GOVNRCLGGJYFIU-OLZOCXBDSA-N 0 3 276.355 2.992 20 30 CFEDHN N#Cc1c(F)cccc1CNCC[C@H]1CCCCO1 ZINC000602016434 350832362 /nfs/dbraw/zinc/83/23/62/350832362.db2.gz WJJPQGISLNGZOJ-CYBMUJFWSA-N 0 3 262.328 2.746 20 30 CFEDHN N#Cc1c(F)cccc1CNC[C@H]1CCCSC1 ZINC000602017442 350832882 /nfs/dbraw/zinc/83/28/82/350832882.db2.gz QOBKGJWNJZWBRA-LLVKDONJSA-N 0 3 264.369 2.930 20 30 CFEDHN C[C@@]1(CNCc2cccc(F)c2C#N)CCO[C@@H]1C1CC1 ZINC000602017828 350832947 /nfs/dbraw/zinc/83/29/47/350832947.db2.gz RGOXAOGWIIRJIH-SJORKVTESA-N 0 3 288.366 2.992 20 30 CFEDHN CCO[C@@H]1C[C@H](N(C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602483853 350902164 /nfs/dbraw/zinc/90/21/64/350902164.db2.gz JKIZIASPZXAHMS-JKSUJKDBSA-N 0 3 285.391 2.733 20 30 CFEDHN C[C@@H](CCc1ccco1)NCc1cccc(C#N)n1 ZINC000602500978 350906448 /nfs/dbraw/zinc/90/64/48/350906448.db2.gz BWMGXVMLJWQTHB-LBPRGKRZSA-N 0 3 255.321 2.657 20 30 CFEDHN C[C@H](CC1(C#N)CCOCC1)NCCOc1ccccc1 ZINC000602505112 350907866 /nfs/dbraw/zinc/90/78/66/350907866.db2.gz UASKRYRDEUUNHP-OAHLLOKOSA-N 0 3 288.391 2.754 20 30 CFEDHN CCCCN1CCCC[C@@H]1CNCc1cccc(C#N)n1 ZINC000602545908 350919121 /nfs/dbraw/zinc/91/91/21/350919121.db2.gz ROUNDQMPCPLWED-QGZVFWFLSA-N 0 3 286.423 2.697 20 30 CFEDHN Cc1ccc2nc(CNC[C@@H](C)CCC#N)cn2c1 ZINC000602548330 350920026 /nfs/dbraw/zinc/92/00/26/350920026.db2.gz FEQLACARHIGTHD-LBPRGKRZSA-N 0 3 256.353 2.672 20 30 CFEDHN COc1ccc(O[C@@H](C)CNCc2cccc(C#N)n2)cc1 ZINC000602559942 350924035 /nfs/dbraw/zinc/92/40/35/350924035.db2.gz KNNWIMCOQUELOL-ZDUSSCGKSA-N 0 3 297.358 2.519 20 30 CFEDHN COc1cc(CCNCc2cccc(C#N)n2)ccc1C ZINC000602559463 350924209 /nfs/dbraw/zinc/92/42/09/350924209.db2.gz PCNYHNVFUTYGNP-UHFFFAOYSA-N 0 3 281.359 2.603 20 30 CFEDHN CC[C@@](C)(CNC1(c2cccc(C#N)c2)CC1)OC ZINC000602580201 350932867 /nfs/dbraw/zinc/93/28/67/350932867.db2.gz FCKGPIJXEIDGEB-HNNXBMFYSA-N 0 3 258.365 2.952 20 30 CFEDHN Cc1nc(N2CCN(C[C@H](C)CCC#N)CC2)sc1C ZINC000602473682 350895965 /nfs/dbraw/zinc/89/59/65/350895965.db2.gz CPGZNBNCDWEKEN-GFCCVEGCSA-N 0 3 292.452 2.822 20 30 CFEDHN C[C@@H]1C[C@@H](CCNCc2cccc(C#N)n2)C[C@H](C)O1 ZINC000602651032 350960979 /nfs/dbraw/zinc/96/09/79/350960979.db2.gz FBNDOVYBYPGUNA-BTTYYORXSA-N 0 3 273.380 2.637 20 30 CFEDHN N#CC1CCC(Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000602676292 350973857 /nfs/dbraw/zinc/97/38/57/350973857.db2.gz LTXNPOVHCXLJKD-JFUPDXTOSA-N 0 3 299.418 2.747 20 30 CFEDHN N#Cc1cccc(CN2CCCc3ccccc3CC2)n1 ZINC000602681652 350976040 /nfs/dbraw/zinc/97/60/40/350976040.db2.gz JMCMQBJMUOCDTQ-UHFFFAOYSA-N 0 3 277.371 2.944 20 30 CFEDHN N#Cc1cccc(CN2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC000602693146 350981741 /nfs/dbraw/zinc/98/17/41/350981741.db2.gz QNMNYOHOEXYXNF-KRWDZBQOSA-N 0 3 297.402 2.734 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CCC[C@@H]2C2CC2)n1 ZINC000602696480 350983614 /nfs/dbraw/zinc/98/36/14/350983614.db2.gz PVCMFMUDSYQSRL-XJKSGUPXSA-N 0 3 255.365 2.869 20 30 CFEDHN C[C@@H](O)[C@@H](NC1CCC(C#N)CC1)c1ccccc1F ZINC000602697807 350984412 /nfs/dbraw/zinc/98/44/12/350984412.db2.gz IODAMRBOXUYBGD-NEQJSVFRSA-N 0 3 276.355 2.920 20 30 CFEDHN CCOC(=O)c1ccc(CNCc2ccc(CC#N)cc2)[nH]1 ZINC000602699487 350985977 /nfs/dbraw/zinc/98/59/77/350985977.db2.gz GTBREONAQPPROT-UHFFFAOYSA-N 0 3 297.358 2.547 20 30 CFEDHN N#Cc1cccc(CNC[C@@H]2CSc3ccccc3O2)n1 ZINC000602701003 350986658 /nfs/dbraw/zinc/98/66/58/350986658.db2.gz PSWOURLWOWGOCD-CQSZACIVSA-N 0 3 297.383 2.596 20 30 CFEDHN N#Cc1cccc(CN2CC[C@H](C3CCCC3)C2)n1 ZINC000602700823 350986979 /nfs/dbraw/zinc/98/69/79/350986979.db2.gz XKJIUOYQUKREDX-AWEZNQCLSA-N 0 3 255.365 2.965 20 30 CFEDHN CSCC1(CCNCc2cccc(C#N)n2)CC1 ZINC000602708345 350992021 /nfs/dbraw/zinc/99/20/21/350992021.db2.gz DJUDBKJEJYSZAE-UHFFFAOYSA-N 0 3 261.394 2.576 20 30 CFEDHN COc1cccc(OC)c1CNC[C@H](C)CCC#N ZINC000602712325 350995031 /nfs/dbraw/zinc/99/50/31/350995031.db2.gz ZGJWBOCOZSMODN-GFCCVEGCSA-N 0 3 262.353 2.733 20 30 CFEDHN CO[C@@](C)(CNCC1(C#N)CCCCC1)C1CC1 ZINC000602718768 350998645 /nfs/dbraw/zinc/99/86/45/350998645.db2.gz LCSYIVISESHQKR-AWEZNQCLSA-N 0 3 250.386 2.865 20 30 CFEDHN N#CC1(c2ccccc2)CCC(NCc2ncc[nH]2)CC1 ZINC000602729768 351002999 /nfs/dbraw/zinc/00/29/99/351002999.db2.gz CONRUCWXBQJFDU-UHFFFAOYSA-N 0 3 280.375 2.903 20 30 CFEDHN COc1ccc([C@H]2C[C@@H]2[C@H](C)NC[C@H](C)C#N)cc1 ZINC000602607092 350943210 /nfs/dbraw/zinc/94/32/10/350943210.db2.gz GXNHGNGQIRXIOR-NOXHYTERSA-N 0 3 258.365 2.936 20 30 CFEDHN C[C@H](CCC#N)CN[C@@H]1COc2cc(F)cc(F)c21 ZINC000602609817 350944165 /nfs/dbraw/zinc/94/41/65/350944165.db2.gz WALZHVSBIJBLGH-BXKDBHETSA-N 0 3 266.291 2.928 20 30 CFEDHN C[C@@H](CCC#N)CN[C@@H]1COc2cc(F)cc(F)c21 ZINC000602609819 350944604 /nfs/dbraw/zinc/94/46/04/350944604.db2.gz WALZHVSBIJBLGH-JOYOIKCWSA-N 0 3 266.291 2.928 20 30 CFEDHN C[C@H](CN(C)C(=O)[C@@H](N)CCCCC#N)C(C)(C)C ZINC000602625426 350950965 /nfs/dbraw/zinc/95/09/65/350950965.db2.gz ONUKVOXTFOZTBE-OLZOCXBDSA-N 0 3 267.417 2.538 20 30 CFEDHN CO[C@@]1(C(F)(F)F)CCCN(C[C@H](C)CCC#N)C1 ZINC000602629619 350952588 /nfs/dbraw/zinc/95/25/88/350952588.db2.gz PHLOVBKLIHWRBB-NEPJUHHUSA-N 0 3 278.318 2.970 20 30 CFEDHN CO[C@]1(C(F)(F)F)CCCN(C[C@H](C)CCC#N)C1 ZINC000602629622 350952664 /nfs/dbraw/zinc/95/26/64/350952664.db2.gz PHLOVBKLIHWRBB-VXGBXAGGSA-N 0 3 278.318 2.970 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)CC2(CC#N)CC2)C12CCC2 ZINC000602789189 351026406 /nfs/dbraw/zinc/02/64/06/351026406.db2.gz VJGOMYOGIHUBLP-ZIAGYGMSSA-N 0 3 262.397 2.960 20 30 CFEDHN CC[C@H](O)CN(Cc1ccccc1)CC1(CC#N)CC1 ZINC000602799298 351029446 /nfs/dbraw/zinc/02/94/46/351029446.db2.gz RLMFUSUOZQUJKF-INIZCTEOSA-N 0 3 272.392 2.953 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc(-n2ccnn2)cc1 ZINC000602806527 351032909 /nfs/dbraw/zinc/03/29/09/351032909.db2.gz VEJDYQZPTZIZHL-ZDUSSCGKSA-N 0 3 281.363 2.612 20 30 CFEDHN Cc1cccc(CCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602854009 351046009 /nfs/dbraw/zinc/04/60/09/351046009.db2.gz NNMDWTDRVARYHE-IRXDYDNUSA-N 0 3 285.435 2.846 20 30 CFEDHN C[C@@H]1CN([C@@H]2CCc3ccccc32)C[C@H](C)N1CC#N ZINC000602853565 351046078 /nfs/dbraw/zinc/04/60/78/351046078.db2.gz KIZVEGAYYOYCOT-JKIFEVAISA-N 0 3 269.392 2.592 20 30 CFEDHN COc1cccc(OC)c1OCCCCN[C@@H](C)CC#N ZINC000602869036 351053092 /nfs/dbraw/zinc/05/30/92/351053092.db2.gz FJBGRDUMZGCWMQ-ZDUSSCGKSA-N 0 3 292.379 2.755 20 30 CFEDHN N#CCCCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602880727 351055883 /nfs/dbraw/zinc/05/58/83/351055883.db2.gz BZVCVLLPMKLYSS-CQSZACIVSA-N 0 3 266.348 2.723 20 30 CFEDHN Cn1cc(C2=CCCN(Cc3ccc(CC#N)cc3)C2)cn1 ZINC000602882036 351057135 /nfs/dbraw/zinc/05/71/35/351057135.db2.gz HPVQHUPXYZVTQV-UHFFFAOYSA-N 0 3 292.386 2.775 20 30 CFEDHN N#CCC1(CN[C@H](c2ccncc2)C2(CO)CCC2)CC1 ZINC000602903919 351061356 /nfs/dbraw/zinc/06/13/56/351061356.db2.gz SRCJZXBNBGXIQK-OAHLLOKOSA-N 0 3 285.391 2.569 20 30 CFEDHN C[C@@H]1CC[C@H](CN2CCC(c3ccc(C#N)cn3)CC2)O1 ZINC000602906401 351062421 /nfs/dbraw/zinc/06/24/21/351062421.db2.gz HLYGNNHHKWAHJQ-CZUORRHYSA-N 0 3 285.391 2.700 20 30 CFEDHN CC(C)(C#N)CCN[C@H](c1ccncc1)C1(CO)CCC1 ZINC000602905074 351062536 /nfs/dbraw/zinc/06/25/36/351062536.db2.gz ZSHUQVJQRVGRHU-OAHLLOKOSA-N 0 3 287.407 2.815 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@@H]1CC(C)(C)CO1 ZINC000602757892 351015125 /nfs/dbraw/zinc/01/51/25/351015125.db2.gz AZUKBOKZYYMBOO-HNNXBMFYSA-N 0 3 258.365 2.805 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)n1cc([C@@H](N)C(C)(C)C)nn1 ZINC000603231742 351122912 /nfs/dbraw/zinc/12/29/12/351122912.db2.gz BTIZGHALUPWCLK-IAQYHMDHSA-N 0 3 283.379 2.805 20 30 CFEDHN CCC[C@H](N)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603233241 351122960 /nfs/dbraw/zinc/12/29/60/351122960.db2.gz IUHBAGPGMMJSIJ-RISCZKNCSA-N 0 3 269.352 2.559 20 30 CFEDHN Cc1cnn(CCCCCN(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602978754 351079797 /nfs/dbraw/zinc/07/97/97/351079797.db2.gz WBSHZIHCYDFMAK-HOTGVXAUSA-N 0 3 274.412 2.986 20 30 CFEDHN CC[C@]1(O)CCCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000602981516 351082763 /nfs/dbraw/zinc/08/27/63/351082763.db2.gz FIVDXPKSEQLCFF-CJNGLKHVSA-N 0 3 258.365 2.856 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000603433867 351164214 /nfs/dbraw/zinc/16/42/14/351164214.db2.gz WXBFASCUXQPUFA-AWEZNQCLSA-N 0 3 290.363 2.582 20 30 CFEDHN C=CCCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000606439725 351270425 /nfs/dbraw/zinc/27/04/25/351270425.db2.gz SBPQMRRXVNLSLY-NSHDSACASA-N 0 3 251.292 2.996 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC=CC1 ZINC001085155592 781928883 /nfs/dbraw/zinc/92/88/83/781928883.db2.gz BSHPNTHIPDDWIX-ZIAGYGMSSA-N 0 3 282.815 2.722 20 30 CFEDHN CC(C)(C)c1ncc(CNC2CCN(CC#N)CC2)s1 ZINC000609335265 351497428 /nfs/dbraw/zinc/49/74/28/351497428.db2.gz ZWJRMOIHROWRLZ-UHFFFAOYSA-N 0 3 292.452 2.518 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000609620674 351512381 /nfs/dbraw/zinc/51/23/81/351512381.db2.gz LXVMMFBJIZRXBX-NEPJUHHUSA-N 0 3 283.331 2.693 20 30 CFEDHN CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(C#N)cc1 ZINC000609839752 351522122 /nfs/dbraw/zinc/52/21/22/351522122.db2.gz MDPRZLHJHNDOEF-CQSZACIVSA-N 0 3 286.379 2.554 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C#N)CCC2)C1 ZINC000609856407 351523267 /nfs/dbraw/zinc/52/32/67/351523267.db2.gz OTUPVAOPIZHSSY-ZBFHGGJFSA-N 0 3 297.402 2.632 20 30 CFEDHN CC(C#N)C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000609920895 351528133 /nfs/dbraw/zinc/52/81/33/351528133.db2.gz LYXSWKJFCGWKRE-VNQPRFMTSA-N 0 3 286.375 2.772 20 30 CFEDHN Cc1cccc2c1ncc(C#N)c2NCCN1CCCCC1 ZINC000610274712 351547067 /nfs/dbraw/zinc/54/70/67/351547067.db2.gz LZVDKANEUXTAMZ-UHFFFAOYSA-N 0 3 294.402 2.735 20 30 CFEDHN COc1ccc(CN(C)CCCSCC#N)cc1OC ZINC000610409527 351564003 /nfs/dbraw/zinc/56/40/03/351564003.db2.gz FXECKCWSDMPWSF-UHFFFAOYSA-N 0 3 294.420 2.782 20 30 CFEDHN COc1ccccc1[C@@H]1CCCCN1C(=O)C(C)C#N ZINC000610426678 351565485 /nfs/dbraw/zinc/56/54/85/351565485.db2.gz BEKMBYWSLMGYHC-JSGCOSHPSA-N 0 3 272.348 2.908 20 30 CFEDHN CCO[C@@H]1C[C@@H](N(C)C(=O)C(C)C#N)C12CCCCC2 ZINC000610428883 351565653 /nfs/dbraw/zinc/56/56/53/351565653.db2.gz GBAWKARDSSFJGY-BFHYXJOUSA-N 0 3 278.396 2.732 20 30 CFEDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccnc(C#N)c1 ZINC000610995183 351632517 /nfs/dbraw/zinc/63/25/17/351632517.db2.gz ULMSRXUSOXHVRI-JKSUJKDBSA-N 0 3 287.407 2.979 20 30 CFEDHN CC(C#N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000610938108 351622650 /nfs/dbraw/zinc/62/26/50/351622650.db2.gz YTMZJUMGSZBCKP-SSDOTTSWSA-N 0 3 299.193 2.555 20 30 CFEDHN CCSCC[C@H](C)N(C)Cc1ccnc(C#N)c1 ZINC000610994535 351631641 /nfs/dbraw/zinc/63/16/41/351631641.db2.gz GPAJIJQGMXCPIT-LBPRGKRZSA-N 0 3 263.410 2.917 20 30 CFEDHN Cc1noc(C)c1[C@@H](C)NCCOc1cccc(C#N)c1 ZINC000611409045 351684486 /nfs/dbraw/zinc/68/44/86/351684486.db2.gz GSXDTXWSJCRFIW-LLVKDONJSA-N 0 3 285.347 2.893 20 30 CFEDHN CC(C)[C@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000611438838 351689981 /nfs/dbraw/zinc/68/99/81/351689981.db2.gz AXSWIXTVUIKCOY-PBHICJAKSA-N 0 3 299.418 2.856 20 30 CFEDHN C=CCCOCCN[C@H](C)c1sc(CCOC)nc1C ZINC000271445275 191140465 /nfs/dbraw/zinc/14/04/65/191140465.db2.gz FQKLSWFWUGZRNS-GFCCVEGCSA-N 0 3 298.452 2.884 20 30 CFEDHN CC(C)(C)CC(=O)N1CCC(NCC(C)(C)C#N)CC1 ZINC000612585204 351839661 /nfs/dbraw/zinc/83/96/61/351839661.db2.gz RHFNZBXZNZXDIY-UHFFFAOYSA-N 0 3 279.428 2.553 20 30 CFEDHN CCCC[C@H](CC)CN1CCN(CCC#N)CC1 ZINC000612823089 351865886 /nfs/dbraw/zinc/86/58/86/351865886.db2.gz NGXAYKIXLYZZIW-HNNXBMFYSA-N 0 3 251.418 2.734 20 30 CFEDHN Cc1ccc(CNCc2cnc3ccc(C#N)cn23)s1 ZINC000123335996 187085205 /nfs/dbraw/zinc/08/52/05/187085205.db2.gz GDFMILMLGKMVGT-UHFFFAOYSA-N 0 3 282.372 2.866 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000123813903 187109574 /nfs/dbraw/zinc/10/95/74/187109574.db2.gz HKAGOFIFRPRVBU-WFASDCNBSA-N 0 3 276.355 2.823 20 30 CFEDHN C=C(C)CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291944604 198112932 /nfs/dbraw/zinc/11/29/32/198112932.db2.gz UIAQXOMTONABAO-QGZVFWFLSA-N 0 3 259.393 2.880 20 30 CFEDHN CN1CC[C@@H]2CCN(c3nc(C(C)(C)C)ccc3C#N)[C@@H]2C1 ZINC000613429342 351958123 /nfs/dbraw/zinc/95/81/23/351958123.db2.gz QTDUMEDYAFMDGM-UKRRQHHQSA-N 0 3 298.434 2.781 20 30 CFEDHN C=CCN(C(=O)c1ccc(CN(C)C)cc1)C1CC1 ZINC000271457526 191148962 /nfs/dbraw/zinc/14/89/62/191148962.db2.gz WQVIIFBOUSSIGO-UHFFFAOYSA-N 0 3 258.365 2.539 20 30 CFEDHN C=CCCOCCCCC(=O)N1CCCN(C)C[C@H]1CC ZINC000614331903 352079990 /nfs/dbraw/zinc/07/99/90/352079990.db2.gz UKCVDPGNHYKZPJ-MRXNPFEDSA-N 0 3 296.455 2.692 20 30 CFEDHN CC1(C)[C@H](O)C[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000614637290 352108299 /nfs/dbraw/zinc/10/82/99/352108299.db2.gz BKBXJLAVLSEAGO-BZUAXINKSA-N 0 3 270.376 2.685 20 30 CFEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CC1CCC1 ZINC001085159642 781929325 /nfs/dbraw/zinc/92/93/25/781929325.db2.gz BZILFNMPTAHDRZ-ZIAGYGMSSA-N 0 3 284.831 2.946 20 30 CFEDHN C=CCN1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000292014168 198134344 /nfs/dbraw/zinc/13/43/44/198134344.db2.gz XYJYTGJRNQIMJX-MRXNPFEDSA-N 0 3 261.365 2.627 20 30 CFEDHN CCn1ccc(CN(C)CCOc2ccccc2C#N)c1 ZINC000616136041 352288719 /nfs/dbraw/zinc/28/87/19/352288719.db2.gz RBLYNKOXGROCHB-UHFFFAOYSA-N 0 3 283.375 2.890 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000617010357 352463719 /nfs/dbraw/zinc/46/37/19/352463719.db2.gz NTUDXQILQNPRMJ-QWHCGFSZSA-N 0 3 252.402 2.578 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC000617043766 352479145 /nfs/dbraw/zinc/47/91/45/352479145.db2.gz DSJBBGJAMQJVHF-KFWWJZLASA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCCOCCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000292099759 198163451 /nfs/dbraw/zinc/16/34/51/198163451.db2.gz JKVDNUSKXLYGLP-CQSZACIVSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCCOCC[NH2+][C@@H](c1nnc[n-]1)C1CCCCC1 ZINC000292099759 198163453 /nfs/dbraw/zinc/16/34/53/198163453.db2.gz JKVDNUSKXLYGLP-CQSZACIVSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCCOCCN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292099759 198163454 /nfs/dbraw/zinc/16/34/54/198163454.db2.gz JKVDNUSKXLYGLP-CQSZACIVSA-N 0 3 278.400 2.608 20 30 CFEDHN C=CCOc1ccccc1CN1CCCOC[C@H]1C ZINC000678272083 539913200 /nfs/dbraw/zinc/91/32/00/539913200.db2.gz BEQOZDSFDWELKF-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN COc1nc(C)cc(C)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000618568702 352811873 /nfs/dbraw/zinc/81/18/73/352811873.db2.gz YFQUXVGDVRQJNV-KGLIPLIRSA-N 0 3 273.380 2.879 20 30 CFEDHN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc2ccccn12 ZINC000618742612 352876052 /nfs/dbraw/zinc/87/60/52/352876052.db2.gz MXLPNEAQUFIQDJ-QGZVFWFLSA-N 0 3 288.354 2.983 20 30 CFEDHN Cc1cc(CN2CCC23CCOCC3)ccc1C#N ZINC000618614693 352836493 /nfs/dbraw/zinc/83/64/93/352836493.db2.gz XHTRNOPCENRKFS-UHFFFAOYSA-N 0 3 256.349 2.622 20 30 CFEDHN COC(=O)C(C)(C)CCN[C@H]1CCc2cc(C#N)ccc21 ZINC000619431085 353022651 /nfs/dbraw/zinc/02/26/51/353022651.db2.gz WILVWJMDLLOMNE-HNNXBMFYSA-N 0 3 286.375 2.724 20 30 CFEDHN C=CC[C@H](C(=O)N[C@H]1CCN(CCC)C1)c1ccccc1 ZINC000619903267 353075842 /nfs/dbraw/zinc/07/58/42/353075842.db2.gz YVNJTGGYDGWSRJ-IRXDYDNUSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCSCCN[C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292267293 198224016 /nfs/dbraw/zinc/22/40/16/198224016.db2.gz TXMQHBGABUDZKL-ZDUSSCGKSA-N 0 3 292.448 2.958 20 30 CFEDHN CN(CCc1ccccn1)Cc1ccc(F)c(C#N)c1 ZINC000152960241 188056095 /nfs/dbraw/zinc/05/60/95/188056095.db2.gz ANHJEJLXCHDLDP-UHFFFAOYSA-N 0 3 269.323 2.767 20 30 CFEDHN C=CCN(CC=C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000154086573 188122969 /nfs/dbraw/zinc/12/29/69/188122969.db2.gz DFSJHJMEZMPXFV-HNNXBMFYSA-N 0 3 279.428 2.635 20 30 CFEDHN C=C(CNCc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000620757909 353229317 /nfs/dbraw/zinc/22/93/17/353229317.db2.gz ZYGZZLIUUYWKAD-UHFFFAOYSA-N 0 3 294.402 2.880 20 30 CFEDHN CC#CCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000155910958 188234209 /nfs/dbraw/zinc/23/42/09/188234209.db2.gz IUBATRKHEXHIMY-SCLBCKFNSA-N 0 3 263.406 2.830 20 30 CFEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccn1 ZINC000156163303 188246218 /nfs/dbraw/zinc/24/62/18/188246218.db2.gz QNHBQSFAZULIQB-CYBMUJFWSA-N 0 3 267.332 2.683 20 30 CFEDHN C=C(C)CNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000156620823 188272586 /nfs/dbraw/zinc/27/25/86/188272586.db2.gz WLCBHUJWSPGHFK-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN C=CCN(C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000157460709 188318835 /nfs/dbraw/zinc/31/88/35/188318835.db2.gz HKDPRXKDFMHPHL-UHFFFAOYSA-N 0 3 291.395 2.585 20 30 CFEDHN N#Cc1ccc(CN[C@@H]2CCCSC2)c(F)c1 ZINC000158113558 188357521 /nfs/dbraw/zinc/35/75/21/188357521.db2.gz AFUAUBYQIAMAGW-GFCCVEGCSA-N 0 3 250.342 2.683 20 30 CFEDHN N#Cc1ccc(CNC[C@H]2CSCCS2)c(F)c1 ZINC000158114591 188357537 /nfs/dbraw/zinc/35/75/37/188357537.db2.gz PBWGBSSGRUJOTC-LBPRGKRZSA-N 0 3 282.409 2.636 20 30 CFEDHN C=CCC[C@@H](O)CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157895716 188344702 /nfs/dbraw/zinc/34/47/02/188344702.db2.gz NYLZBGUOTSVOSV-TZMCWYRMSA-N 0 3 279.428 2.924 20 30 CFEDHN C=C(C)c1cnc2c(cnn2C2CCN(C)CC2)c1 ZINC000623169333 353590091 /nfs/dbraw/zinc/59/00/91/353590091.db2.gz YHFDTWOWRSRBQY-UHFFFAOYSA-N 0 3 256.353 2.731 20 30 CFEDHN C=CCOc1c(Cl)cc(CN[C@H](C)CCO)cc1OC ZINC000623426652 353640597 /nfs/dbraw/zinc/64/05/97/353640597.db2.gz VHPBNYWAPRBZLV-LLVKDONJSA-N 0 3 299.798 2.774 20 30 CFEDHN C=CC[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623622949 353688824 /nfs/dbraw/zinc/68/88/24/353688824.db2.gz OMYYDKSEDFFLBM-UKRRQHHQSA-N 0 3 279.428 2.657 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1nc(C)cs1 ZINC000624004165 353781158 /nfs/dbraw/zinc/78/11/58/353781158.db2.gz XTMWACGCSALZMH-SRVKXCTJSA-N 0 3 252.383 2.693 20 30 CFEDHN C=CC[C@@H]1CC[C@H](N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000624182392 353826685 /nfs/dbraw/zinc/82/66/85/353826685.db2.gz AISUEGLFAHAWOG-IVMMDQJWSA-N 0 3 270.376 2.884 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000624463867 353886322 /nfs/dbraw/zinc/88/63/22/353886322.db2.gz BALXHGCITQBOLO-UHFFFAOYSA-N 0 3 281.444 2.714 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624545008 353903147 /nfs/dbraw/zinc/90/31/47/353903147.db2.gz LLKRUSXFSVVPOF-HNNXBMFYSA-N 0 3 279.428 2.611 20 30 CFEDHN C=CCN(CCOC1CCOCC1)CCc1ccco1 ZINC000625305988 354017020 /nfs/dbraw/zinc/01/70/20/354017020.db2.gz SBXCZSZDVNHETK-UHFFFAOYSA-N 0 3 279.380 2.506 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000625700690 354089200 /nfs/dbraw/zinc/08/92/00/354089200.db2.gz LBELRUAKEKYGSQ-INIZCTEOSA-N 0 3 276.424 2.891 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000625700484 354089477 /nfs/dbraw/zinc/08/94/77/354089477.db2.gz IRWUSFGWYIOUHW-AWEZNQCLSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)N(C)Cc2cccs2)C1 ZINC000625702237 354090254 /nfs/dbraw/zinc/09/02/54/354090254.db2.gz UVTFGMVMOSREID-ZDUSSCGKSA-N 0 3 278.421 2.605 20 30 CFEDHN C=CC[C@@H]1CCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000625703117 354090380 /nfs/dbraw/zinc/09/03/80/354090380.db2.gz LKVCXDKKYYIACB-CQSZACIVSA-N 0 3 258.365 2.832 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCCCc2ccccc2)C1 ZINC000625702620 354090419 /nfs/dbraw/zinc/09/04/19/354090419.db2.gz HRNZNGGUOQICKK-KRWDZBQOSA-N 0 3 286.419 2.633 20 30 CFEDHN C=CC[C@H]1CCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000625705192 354091543 /nfs/dbraw/zinc/09/15/43/354091543.db2.gz YJDVKUSQHZBIMX-ZDUSSCGKSA-N 0 3 292.810 2.854 20 30 CFEDHN C=CCNC(=O)[C@H](C)N[C@@H](c1cccc(C)c1)C(C)C ZINC000625984049 354160450 /nfs/dbraw/zinc/16/04/50/354160450.db2.gz JPGZCKKUOIRVJI-GOEBONIOSA-N 0 3 274.408 2.972 20 30 CFEDHN C=CC(C)(C)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000628316239 354541513 /nfs/dbraw/zinc/54/15/13/354541513.db2.gz OESKGGUZCJLHJD-BETUJISGSA-N 0 3 252.402 2.578 20 30 CFEDHN C[C@H](CN(C)Cc1ccccc1)Nc1cnccc1C#N ZINC000271746588 191303180 /nfs/dbraw/zinc/30/31/80/191303180.db2.gz AXWINULBCIGQFS-CQSZACIVSA-N 0 3 280.375 2.886 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cnc2ccccc2n1 ZINC000628258489 354508347 /nfs/dbraw/zinc/50/83/47/354508347.db2.gz GSDLLEMPEQUIMX-SUMWQHHRSA-N 0 3 283.375 2.701 20 30 CFEDHN C=CC[C@@H]1CCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC000628407038 354580130 /nfs/dbraw/zinc/58/01/30/354580130.db2.gz XRIKWVLXOJIXDL-GFCCVEGCSA-N 0 3 275.348 2.822 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000628965032 354709086 /nfs/dbraw/zinc/70/90/86/354709086.db2.gz STYMSLOEXMXJCK-ZFWWWQNUSA-N 0 3 264.413 2.722 20 30 CFEDHN N#CCCCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352829319 283051500 /nfs/dbraw/zinc/05/15/00/283051500.db2.gz AMGIHUOUZBXONN-UHFFFAOYSA-N 0 3 267.254 2.970 20 30 CFEDHN N#C[C@@H]1CCC[C@H](N[C@H]2COc3ccc(F)cc3C2)C1 ZINC000344016986 283057544 /nfs/dbraw/zinc/05/75/44/283057544.db2.gz DZTDVQFKQSUVDU-BYCMXARLSA-N 0 3 274.339 2.801 20 30 CFEDHN C=CCOCCNCc1cccc(OCC(F)(F)F)c1 ZINC000679485644 540065268 /nfs/dbraw/zinc/06/52/68/540065268.db2.gz JSOXUQYJZQSHBS-UHFFFAOYSA-N 0 3 289.297 2.920 20 30 CFEDHN N#Cc1ccnc(NCCN2CCC3(CCCCC3)CC2)n1 ZINC000333663218 540112377 /nfs/dbraw/zinc/11/23/77/540112377.db2.gz HKLCLZMKJQCMIK-UHFFFAOYSA-N 0 3 299.422 2.806 20 30 CFEDHN Cc1cc(C)n(CCNC2(c3cccc(C#N)c3)CC2)n1 ZINC000271833050 191355581 /nfs/dbraw/zinc/35/55/81/191355581.db2.gz UTIBXDUKEHVQEM-UHFFFAOYSA-N 0 3 280.375 2.651 20 30 CFEDHN COc1cccc([C@H](O)CN[C@H](C)c2cccc(C#N)c2)c1 ZINC000271845918 191364650 /nfs/dbraw/zinc/36/46/50/191364650.db2.gz QJNWAQOIORGTFP-FZKQIMNGSA-N 0 3 296.370 2.951 20 30 CFEDHN C[C@@H](CCO)C1(CNCc2ccc(C#N)cc2F)CCC1 ZINC000271851558 191368508 /nfs/dbraw/zinc/36/85/08/191368508.db2.gz TZOWUQGDTNKENB-ZDUSSCGKSA-N 0 3 290.382 2.976 20 30 CFEDHN C=C1CC(C)(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000632159768 355656470 /nfs/dbraw/zinc/65/64/70/355656470.db2.gz MHXBNKWVYFYPID-CVEARBPZSA-N 0 3 284.403 2.904 20 30 CFEDHN N#Cc1cc2c(nc1N1CC[C@H](N3CCCC3)C1)CCCC2 ZINC000301191803 283116624 /nfs/dbraw/zinc/11/66/24/283116624.db2.gz WWMLRZZLTBFBRM-INIZCTEOSA-N 0 3 296.418 2.507 20 30 CFEDHN C=C1CC(C)(C(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000632772312 355742713 /nfs/dbraw/zinc/74/27/13/355742713.db2.gz HIPMHNHSPAFYAV-UHFFFAOYSA-N 0 3 264.413 2.581 20 30 CFEDHN N#Cc1ccc(CNCCc2nc3c(s2)CCCC3)o1 ZINC000174388608 188895892 /nfs/dbraw/zinc/89/58/92/188895892.db2.gz KECVPDFEYYPWAF-UHFFFAOYSA-N 0 3 287.388 2.819 20 30 CFEDHN N#Cc1ccc(CN[C@H]2COc3ccccc3C2)cc1 ZINC000237844069 283148861 /nfs/dbraw/zinc/14/88/61/283148861.db2.gz FVZJDWNUFJVPBC-MRXNPFEDSA-N 0 3 264.328 2.652 20 30 CFEDHN O=C(NC1CC(N2CCCCC2)C1)c1ncoc1C1CC1 ZINC000329070219 540230026 /nfs/dbraw/zinc/23/00/26/540230026.db2.gz NDVWWZMUDAGZHO-UHFFFAOYSA-N 0 3 289.379 2.874 20 30 CFEDHN N#Cc1ccc([C@@H](NCC2CCCCCC2)C(N)=O)cc1 ZINC000419232855 283186174 /nfs/dbraw/zinc/18/61/74/283186174.db2.gz VNCKUAIKLHRJKB-MRXNPFEDSA-N 0 3 285.391 2.645 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H](O)C(F)F ZINC000360661685 283192797 /nfs/dbraw/zinc/19/27/97/283192797.db2.gz BCJVUMYPWLSNLY-KGLIPLIRSA-N 0 3 280.318 2.541 20 30 CFEDHN N#Cc1cnc(N2CCC[C@H]2CN2CCCCC2)c(F)c1 ZINC000413254917 283231815 /nfs/dbraw/zinc/23/18/15/283231815.db2.gz ZWUZQHICQJEMDE-AWEZNQCLSA-N 0 3 288.370 2.547 20 30 CFEDHN C=CC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000294353112 199008354 /nfs/dbraw/zinc/00/83/54/199008354.db2.gz GPPLDCHMKMHYFM-UHFFFAOYSA-N 0 3 276.380 2.778 20 30 CFEDHN COc1ccc(CN2CC[C@@H](SC)C2)cc1C#N ZINC000294461427 199050247 /nfs/dbraw/zinc/05/02/47/199050247.db2.gz UJCDDEUFYSKBNU-CYBMUJFWSA-N 0 3 262.378 2.504 20 30 CFEDHN CC#CC(=O)NC[C@H](c1ccc(CC)cc1)N(CC)CC ZINC000294480651 199055751 /nfs/dbraw/zinc/05/57/51/199055751.db2.gz JBWIJVSJTNGJHW-QGZVFWFLSA-N 0 3 286.419 2.771 20 30 CFEDHN C=CCOc1cccc(CN(C)CC(C)(C)CO)c1 ZINC000294779255 199178424 /nfs/dbraw/zinc/17/84/24/199178424.db2.gz KZDWHFBXWQXVMT-UHFFFAOYSA-N 0 3 263.381 2.702 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCOC2(C)C)cc1OC ZINC000294779108 199178689 /nfs/dbraw/zinc/17/86/89/199178689.db2.gz KXOGCOPVCLHVLZ-MRXNPFEDSA-N 0 3 291.391 2.917 20 30 CFEDHN C=CC[C@@H](C)N[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294853572 199214670 /nfs/dbraw/zinc/21/46/70/199214670.db2.gz SOUYRFQHPPSOIS-MFKMUULPSA-N 0 3 260.316 2.587 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CCN(CCC)C2)CCCC1 ZINC000666920245 540591647 /nfs/dbraw/zinc/59/16/47/540591647.db2.gz QIZBMLMJQGIWFH-CQSZACIVSA-N 0 3 279.428 2.659 20 30 CFEDHN CCC#C[C@H](C)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000671255231 540609622 /nfs/dbraw/zinc/60/96/22/540609622.db2.gz AUEHLPZSOWPAKV-WMZOPIPTSA-N 0 3 270.420 2.647 20 30 CFEDHN C#C[C@@H](NCc1ccc(O)c(OCC)c1)C(C)(C)C ZINC000297364074 200163640 /nfs/dbraw/zinc/16/36/40/200163640.db2.gz HBPCJBJEKFSDDA-OAHLLOKOSA-N 0 3 261.365 2.928 20 30 CFEDHN C#C[C@@H](NC(=O)Nc1ccccc1CCN(C)C)C(C)C ZINC000297970839 200310211 /nfs/dbraw/zinc/31/02/11/200310211.db2.gz YTNMUXSQMCFEDI-OAHLLOKOSA-N 0 3 287.407 2.570 20 30 CFEDHN N#Cc1ccc(CNC[C@H](O)c2ccsc2)s1 ZINC000176973700 189018085 /nfs/dbraw/zinc/01/80/85/189018085.db2.gz QYKCOPSHNLHVEH-LBPRGKRZSA-N 0 3 264.375 2.504 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000177200500 189036163 /nfs/dbraw/zinc/03/61/63/189036163.db2.gz TWLQPDNJRQBDGC-JKSUJKDBSA-N 0 3 298.430 2.640 20 30 CFEDHN C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000177200487 189036324 /nfs/dbraw/zinc/03/63/24/189036324.db2.gz TWLQPDNJRQBDGC-HZPDHXFCSA-N 0 3 298.430 2.640 20 30 CFEDHN C[C@@H](NCCSCc1ccccc1C#N)c1cnccn1 ZINC000177821886 189072164 /nfs/dbraw/zinc/07/21/64/189072164.db2.gz NYXJCBXYNKTIHU-CYBMUJFWSA-N 0 3 298.415 2.932 20 30 CFEDHN CN1CC[C@H](C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)C1 ZINC000522138146 540735960 /nfs/dbraw/zinc/73/59/60/540735960.db2.gz GBRPRSWRGJHQQI-HOCLYGCPSA-N 0 3 299.418 2.617 20 30 CFEDHN C=CCOc1cccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000414533957 540826164 /nfs/dbraw/zinc/82/61/64/540826164.db2.gz JIJCWIAOAXHABM-LSDHHAIUSA-N 0 3 297.345 2.890 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](C)c2ccc(OCC)cc2)C1=O ZINC000684890015 540887954 /nfs/dbraw/zinc/88/79/54/540887954.db2.gz NDYUAZYBEFHLPP-CZUORRHYSA-N 0 3 288.391 2.523 20 30 CFEDHN C=CCNC(=O)CN[C@@H](CCCC)c1ccc(F)cc1 ZINC000180037609 189234030 /nfs/dbraw/zinc/23/40/30/189234030.db2.gz ZUKFMFKOKFNOQP-HNNXBMFYSA-N 0 3 278.371 2.949 20 30 CFEDHN C=CCOc1cccc(CN2CC[C@@](C)(C(=O)OC)C2)c1 ZINC000180080069 189235986 /nfs/dbraw/zinc/23/59/86/189235986.db2.gz NZTMWEPKHAMVNY-QGZVFWFLSA-N 0 3 289.375 2.636 20 30 CFEDHN C[C@@H](CN(C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000182683014 189331573 /nfs/dbraw/zinc/33/15/73/189331573.db2.gz PCBSMVPTBKEHML-AWEZNQCLSA-N 0 3 283.375 2.761 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)CC1=CCCOC1 ZINC000425366028 239028832 /nfs/dbraw/zinc/02/88/32/239028832.db2.gz OCEIQQYFKORPPV-CYBMUJFWSA-N 0 3 256.349 2.898 20 30 CFEDHN N#Cc1ccc(NC[C@@H](c2cccs2)N2CCCC2)nn1 ZINC000301917709 201263181 /nfs/dbraw/zinc/26/31/81/201263181.db2.gz JLIQJKRIOZJCQG-ZDUSSCGKSA-N 0 3 299.403 2.659 20 30 CFEDHN C[C@H](c1cccc(C#N)c1)N(C)C[C@H](O)C(C)(C)C ZINC000425530954 239091429 /nfs/dbraw/zinc/09/14/29/239091429.db2.gz GLOFNVSEOOAVBX-DOMZBBRYSA-N 0 3 260.381 2.958 20 30 CFEDHN C=CCCC(C)(C)NC(=O)N[C@H]1CCN(CCC)C1 ZINC000666920518 541160491 /nfs/dbraw/zinc/16/04/91/541160491.db2.gz WWADUMXKDMJKGR-ZDUSSCGKSA-N 0 3 267.417 2.515 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1N1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000302061118 201324515 /nfs/dbraw/zinc/32/45/15/201324515.db2.gz SXTVLRPGDZYQMW-NVXWUHKLSA-N 0 3 297.402 2.681 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NCCN(C)C(C)C ZINC000302133577 201355252 /nfs/dbraw/zinc/35/52/52/201355252.db2.gz ZAHLEKLLFHBBHB-UHFFFAOYSA-N 0 3 259.353 2.513 20 30 CFEDHN C[C@H]1CCCN(CCNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302206179 201395435 /nfs/dbraw/zinc/39/54/35/201395435.db2.gz KJHKUSLTDLEXRL-LBPRGKRZSA-N 0 3 288.351 2.610 20 30 CFEDHN COCCN(Cc1cccc(C#N)c1)[C@@H]1CCCSC1 ZINC000433184420 240119821 /nfs/dbraw/zinc/11/98/21/240119821.db2.gz YRUVJQCYCHHOAU-MRXNPFEDSA-N 0 3 290.432 2.902 20 30 CFEDHN COc1cc(CNc2nc3ccc(F)cc3[nH]2)ccc1C#N ZINC000443057878 241033012 /nfs/dbraw/zinc/03/30/12/241033012.db2.gz IOAAJCQVKZQMNG-UHFFFAOYSA-N 0 3 296.305 2.616 20 30 CFEDHN Cc1cc(CNC[C@H]2COc3ccccc3O2)ccc1C#N ZINC000443972756 241099442 /nfs/dbraw/zinc/09/94/42/241099442.db2.gz YOFNHKKDDUKJIM-INIZCTEOSA-N 0 3 294.354 2.796 20 30 CFEDHN CC1(C)CCCN(CCNCc2ccc(C#N)cc2F)C1 ZINC000444014498 241109115 /nfs/dbraw/zinc/10/91/15/241109115.db2.gz POMIDOCZOAIMSO-UHFFFAOYSA-N 0 3 289.398 2.909 20 30 CFEDHN CC(C)[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000444756131 241185747 /nfs/dbraw/zinc/18/57/47/241185747.db2.gz QHDMWYPMUIFWIW-QGZVFWFLSA-N 0 3 299.418 2.542 20 30 CFEDHN N#Cc1ccccc1CN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449551700 242025287 /nfs/dbraw/zinc/02/52/87/242025287.db2.gz HBZQHKSLELZUNK-XYPHTWIQSA-N 0 3 270.376 2.541 20 30 CFEDHN CC(C)OC[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000449736192 242124561 /nfs/dbraw/zinc/12/45/61/242124561.db2.gz LNNZFGRIRZTMTO-NSHDSACASA-N 0 3 250.317 2.600 20 30 CFEDHN N#Cc1ccc(CNC2CCN(CC(F)F)CC2)cc1F ZINC000449737214 242124928 /nfs/dbraw/zinc/12/49/28/242124928.db2.gz QKGFQABVCZALKP-UHFFFAOYSA-N 0 3 297.324 2.516 20 30 CFEDHN C[C@@H]1CCC(C)(C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000452004998 243009123 /nfs/dbraw/zinc/00/91/23/243009123.db2.gz ITWFJRZJBNETIX-GFCCVEGCSA-N 0 3 271.364 2.760 20 30 CFEDHN N#Cc1ccc(CN2CCCC[C@@H]2CC(N)=O)cc1 ZINC000330584737 203003467 /nfs/dbraw/zinc/00/34/67/203003467.db2.gz MPLOSCODKZSISO-CQSZACIVSA-N 0 3 257.337 2.838 20 30 CFEDHN C=CCN1CCC(NC(=O)NC(C(C)C)C(C)C)CC1 ZINC000676293029 541739969 /nfs/dbraw/zinc/73/99/69/541739969.db2.gz HLIMCUXEPITEFC-UHFFFAOYSA-N 0 3 281.444 2.617 20 30 CFEDHN C=CCCN(C)Cc1cc(OC)ccc1OCOC ZINC000276096381 193212736 /nfs/dbraw/zinc/21/27/36/193212736.db2.gz DSNJYQQBTUVELB-UHFFFAOYSA-N 0 3 265.353 2.686 20 30 CFEDHN C#CC[C@@H](NCCOCC(F)F)c1ccccc1 ZINC000276259347 193261857 /nfs/dbraw/zinc/26/18/57/193261857.db2.gz QWTLMKQKZMYHQW-CYBMUJFWSA-N 0 3 253.292 2.622 20 30 CFEDHN C=CCCN(C)Cc1ccc(Br)cn1 ZINC000276501548 193358534 /nfs/dbraw/zinc/35/85/34/193358534.db2.gz WHGXWHMJSWWFGS-UHFFFAOYSA-N 0 3 255.159 2.852 20 30 CFEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000358567880 296150009 /nfs/dbraw/zinc/15/00/09/296150009.db2.gz KITFTDJTOWYZQB-MDZLAQPJSA-N 0 3 262.328 2.773 20 30 CFEDHN COCC#CCN1CC[C@H](CSc2ccccc2)C1 ZINC000677133067 541825861 /nfs/dbraw/zinc/82/58/61/541825861.db2.gz GFCSVNLUHMPQNY-HNNXBMFYSA-N 0 3 275.417 2.750 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000677477751 541864563 /nfs/dbraw/zinc/86/45/63/541864563.db2.gz WFFALCSJXZIRCM-QGZVFWFLSA-N 0 3 287.403 2.827 20 30 CFEDHN C=C[C@@H](CC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1 ZINC000677539969 541874133 /nfs/dbraw/zinc/87/41/33/541874133.db2.gz UTQCCJCNPVIPJG-GOEBONIOSA-N 0 3 272.392 2.557 20 30 CFEDHN CN(CCOc1cccc(C#N)c1)CCc1ccccn1 ZINC000034674325 372512087 /nfs/dbraw/zinc/51/20/87/372512087.db2.gz QKRYIOSBQOMRQU-UHFFFAOYSA-N 0 3 281.359 2.507 20 30 CFEDHN CN1CCC(Nc2ccc(C#N)cc2Br)CC1 ZINC000037072080 372645085 /nfs/dbraw/zinc/64/50/85/372645085.db2.gz OVXWDWVDDAFMBI-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN COc1ccc(CNC2CC2)cc1OCCCC#N ZINC000037704809 372690702 /nfs/dbraw/zinc/69/07/02/372690702.db2.gz NAUUTFTVDYIEBC-UHFFFAOYSA-N 0 3 260.337 2.630 20 30 CFEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)CC ZINC000037800156 372714643 /nfs/dbraw/zinc/71/46/43/372714643.db2.gz SYOVCWWTKWDWED-JTQLQIEISA-N 0 3 272.801 2.653 20 30 CFEDHN N#Cc1cccc(CNC[C@H]2Cc3ccccc3O2)c1 ZINC000037986388 372750263 /nfs/dbraw/zinc/75/02/63/372750263.db2.gz LLNIXHGWLLOLMW-MRXNPFEDSA-N 0 3 264.328 2.652 20 30 CFEDHN CC[C@H](C)NC(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000038014232 372768837 /nfs/dbraw/zinc/76/88/37/372768837.db2.gz XLIHSCWTZHSTMS-STQMWFEESA-N 0 3 273.380 2.514 20 30 CFEDHN N#Cc1ccc(F)c(CN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000451700539 383685186 /nfs/dbraw/zinc/68/51/86/383685186.db2.gz GLMAWECRZJTFEQ-YCPHGPKFSA-N 0 3 288.366 2.680 20 30 CFEDHN N#CC(C(=O)c1ccoc1)c1nc2ccccc2[nH]1 ZINC000041495561 372843464 /nfs/dbraw/zinc/84/34/64/372843464.db2.gz HUDFREKSJKVWIN-JTQLQIEISA-N 0 3 251.245 2.646 20 30 CFEDHN N#Cc1ccc(CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1F ZINC000451698239 383686067 /nfs/dbraw/zinc/68/60/67/383686067.db2.gz JAJZXZMMJCRQKV-VNQPRFMTSA-N 0 3 288.366 2.680 20 30 CFEDHN CC1CCN(CCNc2nc3c(cc2C#N)CCC3)CC1 ZINC000042251978 372895589 /nfs/dbraw/zinc/89/55/89/372895589.db2.gz CLGZLYUOXZIKBQ-UHFFFAOYSA-N 0 3 284.407 2.586 20 30 CFEDHN C=CCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000263716402 383686875 /nfs/dbraw/zinc/68/68/75/383686875.db2.gz XFSNGKFIURBITH-UHFFFAOYSA-N 0 3 286.419 2.906 20 30 CFEDHN C=CCN(CC=C)C[C@H](O)COc1c(C)cccc1C ZINC000046345417 373052599 /nfs/dbraw/zinc/05/25/99/373052599.db2.gz BNYQDOUZSKIJAB-INIZCTEOSA-N 0 3 275.392 2.717 20 30 CFEDHN CN(CCCOc1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000048947897 373235185 /nfs/dbraw/zinc/23/51/85/373235185.db2.gz QYCAFZADHXBPRI-KRWDZBQOSA-N 0 3 288.391 2.828 20 30 CFEDHN CCC(CC)CN(CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000051824523 373413349 /nfs/dbraw/zinc/41/33/49/373413349.db2.gz IENRSARWFUMSRG-MRXNPFEDSA-N 0 3 281.444 2.799 20 30 CFEDHN N#Cc1cc(Cl)ccc1N1CCN(CC2CC2)CC1 ZINC000052859672 373452619 /nfs/dbraw/zinc/45/26/19/373452619.db2.gz INQXUTGVUGHSLL-UHFFFAOYSA-N 0 3 275.783 2.744 20 30 CFEDHN CC[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182841464 220218676 /nfs/dbraw/zinc/21/86/76/220218676.db2.gz JEFJBZNJNSDABP-RHSMWYFYSA-N 0 3 297.402 2.786 20 30 CFEDHN CN(CCOCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000058473491 373659983 /nfs/dbraw/zinc/65/99/83/373659983.db2.gz RCFTVPNLJIRIRX-UHFFFAOYSA-N 0 3 272.270 2.569 20 30 CFEDHN N#CC1CCN(Cc2cccc3cccnc32)CC1 ZINC000060893378 373705629 /nfs/dbraw/zinc/70/56/29/373705629.db2.gz CXTCDFPFEANTII-UHFFFAOYSA-N 0 3 251.333 2.970 20 30 CFEDHN COCCN(CCCC#N)CCCc1ccccc1 ZINC000065958941 373903595 /nfs/dbraw/zinc/90/35/95/373903595.db2.gz TVKUOCOFOBPELQ-UHFFFAOYSA-N 0 3 260.381 2.871 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)[C@H](C)C(C)C ZINC000065298630 373854829 /nfs/dbraw/zinc/85/48/29/373854829.db2.gz DRZSHKHNTJEGRV-CQSZACIVSA-N 0 3 252.402 2.553 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)C[C@H](c1ccccc1)N(C)C ZINC000431755878 383695164 /nfs/dbraw/zinc/69/51/64/383695164.db2.gz FAGCCIBFAXETFU-GDBMZVCRSA-N 0 3 287.407 2.688 20 30 CFEDHN C=CC[C@H](CC)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289521638 197387352 /nfs/dbraw/zinc/38/73/52/197387352.db2.gz PVFCMMHESBBUJU-ZNMIVQPWSA-N 0 3 287.359 2.762 20 30 CFEDHN C[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](C)S1 ZINC000070383199 374170261 /nfs/dbraw/zinc/17/02/61/374170261.db2.gz DTXZIHKQCYJWLX-BETUJISGSA-N 0 3 276.405 2.763 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000070754321 374203026 /nfs/dbraw/zinc/20/30/26/374203026.db2.gz XPISHWBFAMXPOY-UONOGXRCSA-N 0 3 286.419 2.907 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@](C)(CC)C1 ZINC000072802640 374288086 /nfs/dbraw/zinc/28/80/86/374288086.db2.gz PNODUBXBMMBIBS-GOEBONIOSA-N 0 3 279.428 2.507 20 30 CFEDHN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000073971177 374398044 /nfs/dbraw/zinc/39/80/44/374398044.db2.gz TVPDHEMHIHTLDA-OAHLLOKOSA-N 0 3 288.310 2.757 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1cccc(OC(C)C)c1 ZINC000678049338 541942014 /nfs/dbraw/zinc/94/20/14/541942014.db2.gz IASHCCJTUCKTAX-INIZCTEOSA-N 0 3 263.381 2.843 20 30 CFEDHN CCC#C[C@H](C)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000678049975 541942538 /nfs/dbraw/zinc/94/25/38/541942538.db2.gz RPBRPLJSSGFDKK-JSGCOSHPSA-N 0 3 272.396 2.663 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000076734866 374556998 /nfs/dbraw/zinc/55/69/98/374556998.db2.gz CQEPXTNABKSOEK-RBSFLKMASA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCCCN(C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000076738235 374557165 /nfs/dbraw/zinc/55/71/65/374557165.db2.gz JVDFJXFRTFTBDL-ZDUSSCGKSA-N 0 3 252.402 2.722 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc3ccccn3c2)CC1 ZINC000081355673 374696188 /nfs/dbraw/zinc/69/61/88/374696188.db2.gz BIUNQTSHHOUKHJ-UHFFFAOYSA-N 0 3 297.402 2.710 20 30 CFEDHN CC(C)(C#N)CCN1CCN(Cc2ccccc2)CC1 ZINC000087595034 374825688 /nfs/dbraw/zinc/82/56/88/374825688.db2.gz XRZDEONHQJRUFX-UHFFFAOYSA-N 0 3 271.408 2.744 20 30 CFEDHN O[C@@H]1C[C@H]2C[C@@H](C1)N(CC#Cc1ccc(Cl)cc1)C2 ZINC000640078272 383703962 /nfs/dbraw/zinc/70/39/62/383703962.db2.gz OODSLKXUOWNEKJ-VNQPRFMTSA-N 0 3 275.779 2.537 20 30 CFEDHN C#CCCCCN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090398934 375010698 /nfs/dbraw/zinc/01/06/98/375010698.db2.gz PDHCRXBTVNNWNY-GFCCVEGCSA-N 0 3 297.395 2.683 20 30 CFEDHN C[C@H]1C[C@H](Nc2c(F)cc(C#N)cc2F)CCN1C ZINC000090794949 375029606 /nfs/dbraw/zinc/02/96/06/375029606.db2.gz QGTHWFAFZZLXLJ-GXSJLCMTSA-N 0 3 265.307 2.731 20 30 CFEDHN Cc1noc(C2CCN(CC(C)(C)CCC#N)CC2)n1 ZINC000091837626 375066868 /nfs/dbraw/zinc/06/68/68/375066868.db2.gz IJSWEZZTWVDCBZ-UHFFFAOYSA-N 0 3 276.384 2.887 20 30 CFEDHN CN(C[C@H]1CCCN1C)c1c(C#N)cnc2ccccc21 ZINC000092631187 375132621 /nfs/dbraw/zinc/13/26/21/375132621.db2.gz XTQZGVQCZUQKQI-CQSZACIVSA-N 0 3 280.375 2.637 20 30 CFEDHN CC[C@H](C)CN(CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000093250967 375199485 /nfs/dbraw/zinc/19/94/85/375199485.db2.gz SQLBAVBEAOODTF-ZDUSSCGKSA-N 0 3 273.380 2.865 20 30 CFEDHN C[C@@H](c1cccc(C#N)c1)N1CCOCC2(CC2)C1 ZINC000336331824 296232161 /nfs/dbraw/zinc/23/21/61/296232161.db2.gz XPPDAJZLZAAQIL-ZDUSSCGKSA-N 0 3 256.349 2.732 20 30 CFEDHN C=CCNC(=O)[C@H](C)N(C)CCC1CCCCC1 ZINC000101565855 375641214 /nfs/dbraw/zinc/64/12/14/375641214.db2.gz KQJJROJUPFJVAI-ZDUSSCGKSA-N 0 3 252.402 2.579 20 30 CFEDHN N#CC(C(=O)c1cc2c(s1)CCOC2)c1ccccn1 ZINC000103329868 375731677 /nfs/dbraw/zinc/73/16/77/375731677.db2.gz QVVFVLMCFHEBNF-LLVKDONJSA-N 0 3 284.340 2.706 20 30 CFEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(SCC)cc1 ZINC000103499761 375753784 /nfs/dbraw/zinc/75/37/84/375753784.db2.gz WOASEFHFNQRFSP-QWHCGFSZSA-N 0 3 290.432 2.587 20 30 CFEDHN C=CCCC[C@H](C)N1CCc2nnc(NC)cc2C1 ZINC000678715343 542060019 /nfs/dbraw/zinc/06/00/19/542060019.db2.gz NUEBMZSZAXBHCI-LBPRGKRZSA-N 0 3 260.385 2.621 20 30 CFEDHN N#Cc1ccccc1N1CCC[C@H](NCc2cccnc2)C1 ZINC000109077642 375819770 /nfs/dbraw/zinc/81/97/70/375819770.db2.gz HEPGQESUBABKDV-KRWDZBQOSA-N 0 3 292.386 2.712 20 30 CFEDHN C=C(C)[C@H](CO)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000678743025 542063818 /nfs/dbraw/zinc/06/38/18/542063818.db2.gz RMWOEYWETGECKA-MFKMUULPSA-N 0 3 271.307 2.876 20 30 CFEDHN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000678744706 542064326 /nfs/dbraw/zinc/06/43/26/542064326.db2.gz MQMZAAFGEKABAF-LRDDRELGSA-N 0 3 288.391 2.623 20 30 CFEDHN CCC#C[C@H](C)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000678730648 542061905 /nfs/dbraw/zinc/06/19/05/542061905.db2.gz VFHNYRHTSXAZBM-KBPBESRZSA-N 0 3 268.364 2.720 20 30 CFEDHN C=CCN(CC(=O)N1CCCC1)CC1CCCCC1 ZINC000112210712 375892095 /nfs/dbraw/zinc/89/20/95/375892095.db2.gz NYMZPJJEVWVZJB-UHFFFAOYSA-N 0 3 264.413 2.677 20 30 CFEDHN C=CCNC(=O)CN(C)[C@H](c1ccccc1C)C(C)C ZINC000112357932 375912666 /nfs/dbraw/zinc/91/26/66/375912666.db2.gz URHVZTXNIAJBFO-KRWDZBQOSA-N 0 3 274.408 2.926 20 30 CFEDHN C[C@@H]1CCC[C@H](CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115598082 376143154 /nfs/dbraw/zinc/14/31/54/376143154.db2.gz QMFBLSBJVSCITJ-INWMFGNUSA-N 0 3 285.391 2.501 20 30 CFEDHN COc1ccc(CN2CCCC2)cc1OCCCC#N ZINC000119992577 376522256 /nfs/dbraw/zinc/52/22/56/376522256.db2.gz BMKOATSCVQUTFT-UHFFFAOYSA-N 0 3 274.364 2.974 20 30 CFEDHN N#CCSCCCN1CCC[C@@H]1c1ccncc1 ZINC000119866875 376492918 /nfs/dbraw/zinc/49/29/18/376492918.db2.gz RSUQOIIMDLOLPJ-CQSZACIVSA-N 0 3 261.394 2.865 20 30 CFEDHN COC[C@@H](NCc1cccc(OCCCC#N)c1)C1CC1 ZINC000121320754 376805800 /nfs/dbraw/zinc/80/58/00/376805800.db2.gz CWSHFXOOGBPFJL-QGZVFWFLSA-N 0 3 288.391 2.884 20 30 CFEDHN Cc1nccn1CCCCN(CCC#N)CC1CC1 ZINC000122729573 376937367 /nfs/dbraw/zinc/93/73/67/376937367.db2.gz UOTXJQZQOXUDQS-UHFFFAOYSA-N 0 3 260.385 2.597 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCCC[C@@H]1C ZINC000123581675 376956589 /nfs/dbraw/zinc/95/65/89/376956589.db2.gz MPZPXOYHBYETCH-AWEZNQCLSA-N 0 3 264.413 2.745 20 30 CFEDHN C=CCC(CC=C)C(=O)NCCN1CCCC[C@H]1C ZINC000123581432 376957666 /nfs/dbraw/zinc/95/76/66/376957666.db2.gz MPZPXOYHBYETCH-CQSZACIVSA-N 0 3 264.413 2.745 20 30 CFEDHN C[C@H](O)C[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000123865785 376989557 /nfs/dbraw/zinc/98/95/57/376989557.db2.gz HUEGGXPJIXVPCX-RDJZCZTQSA-N 0 3 257.377 2.664 20 30 CFEDHN CC#CCN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125535617 377168298 /nfs/dbraw/zinc/16/82/98/377168298.db2.gz IRLXMHMKUATQTQ-UHFFFAOYSA-N 0 3 271.286 2.631 20 30 CFEDHN CCN(C(=O)CN(C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000126618942 377238721 /nfs/dbraw/zinc/23/87/21/377238721.db2.gz UOTCKJUGMHXYOF-CQSZACIVSA-N 0 3 287.407 2.808 20 30 CFEDHN C[C@@]1(O)CCCN(Cc2cccc(OCCCC#N)c2)C1 ZINC000129462550 377429285 /nfs/dbraw/zinc/42/92/85/377429285.db2.gz TXIAOJLOTOGBAW-QGZVFWFLSA-N 0 3 288.391 2.716 20 30 CFEDHN C=CCN(CCC(=O)N(C)CC)CCc1ccccc1 ZINC000130230892 377526376 /nfs/dbraw/zinc/52/63/76/377526376.db2.gz JIYPZFQPNOJXEK-UHFFFAOYSA-N 0 3 274.408 2.586 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)CCCn1ccnc1C ZINC000130655119 377590321 /nfs/dbraw/zinc/59/03/21/377590321.db2.gz IVKYQQWUKLNBJP-UHFFFAOYSA-N 0 3 298.390 2.594 20 30 CFEDHN C=CCOCCN[C@@H]1CCCc2nc(CC)sc21 ZINC000679576194 542210686 /nfs/dbraw/zinc/21/06/86/542210686.db2.gz KOIHVNWKLJYCBP-LLVKDONJSA-N 0 3 266.410 2.875 20 30 CFEDHN Cc1cncc(C(=O)C(C#N)c2nc3ccccc3n2C)c1 ZINC000131923051 377780340 /nfs/dbraw/zinc/78/03/40/377780340.db2.gz RWVGWUKUMJYRJN-ZDUSSCGKSA-N 0 3 290.326 2.767 20 30 CFEDHN CC(C)Oc1ccc(NC2CCN(C)CC2)cc1C#N ZINC000132899130 377886943 /nfs/dbraw/zinc/88/69/43/377886943.db2.gz HWPVSOVRNITMEE-UHFFFAOYSA-N 0 3 273.380 2.852 20 30 CFEDHN C[C@H](NC(C)(C)CNC(=O)C1(C#N)CCC1)c1ccccc1 ZINC000134830701 378053831 /nfs/dbraw/zinc/05/38/31/378053831.db2.gz TYLCUKFWSBJFDP-AWEZNQCLSA-N 0 3 299.418 2.926 20 30 CFEDHN CC(=O)c1ccc(C#N)cc1NCC(C)(C)N(C)C ZINC000134867327 378056444 /nfs/dbraw/zinc/05/64/44/378056444.db2.gz RTIIWMBMQDHCES-UHFFFAOYSA-N 0 3 259.353 2.513 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCc1ccccc1CN(C)C ZINC000134910800 378062197 /nfs/dbraw/zinc/06/21/97/378062197.db2.gz FMBLYKITBMQSAG-KRWDZBQOSA-N 0 3 274.408 2.967 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCc1cccc(CN(C)C)c1 ZINC000134920024 378063782 /nfs/dbraw/zinc/06/37/82/378063782.db2.gz MHFYPZAQYLKASM-KRWDZBQOSA-N 0 3 274.408 2.967 20 30 CFEDHN CCN(CCC#N)C(=O)CN1CCC[C@@H]1CCC(C)C ZINC000135302980 378113144 /nfs/dbraw/zinc/11/31/44/378113144.db2.gz GTIATBZMZCVTSX-OAHLLOKOSA-N 0 3 279.428 2.649 20 30 CFEDHN CCC[C@H](C)[C@H]1CCCN1CC(=O)N(CC)C[C@@H](C)C#N ZINC000135335705 378120435 /nfs/dbraw/zinc/12/04/35/378120435.db2.gz MJJMNYNRZHQNTK-HRCADAONSA-N 0 3 293.455 2.895 20 30 CFEDHN CN(C)[C@H](CNCc1ccc(C#N)s1)c1ccco1 ZINC000135668580 378154521 /nfs/dbraw/zinc/15/45/21/378154521.db2.gz SAUIBRXFNCOUHV-CYBMUJFWSA-N 0 3 275.377 2.605 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCc3ccccc3C2)o1 ZINC000135128506 378086600 /nfs/dbraw/zinc/08/66/00/378086600.db2.gz AFTPTXXOZXGGQJ-AWEZNQCLSA-N 0 3 252.317 2.798 20 30 CFEDHN COC(=O)[C@H](C)CN(C)Cc1ccccc1C(C)(C)C#N ZINC000135229829 378101451 /nfs/dbraw/zinc/10/14/51/378101451.db2.gz XQDJNXJNOVLHTP-CYBMUJFWSA-N 0 3 288.391 2.729 20 30 CFEDHN CC(C)COCCCNCc1ccc(C#N)s1 ZINC000135673295 378156518 /nfs/dbraw/zinc/15/65/18/378156518.db2.gz IROMUFOVXRFDFO-UHFFFAOYSA-N 0 3 252.383 2.772 20 30 CFEDHN N#Cc1ccc(CNC2CCN(c3ccccn3)CC2)s1 ZINC000135679759 378157072 /nfs/dbraw/zinc/15/70/72/378157072.db2.gz BLAPSWYKESUVLT-UHFFFAOYSA-N 0 3 298.415 2.773 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000150847631 378275850 /nfs/dbraw/zinc/27/58/50/378275850.db2.gz MEIIEZTYLLGOJY-HIFRSBDPSA-N 0 3 264.413 2.696 20 30 CFEDHN COCCC1(CNCc2ccc(C#N)o2)CCCC1 ZINC000151811809 378361325 /nfs/dbraw/zinc/36/13/25/378361325.db2.gz HZOBTTKQQAOHFP-UHFFFAOYSA-N 0 3 262.353 2.838 20 30 CFEDHN N#Cc1ccc(CNCCOc2ncccc2Cl)cc1 ZINC000152096908 378393522 /nfs/dbraw/zinc/39/35/22/378393522.db2.gz YBUIPUHIYLJSDE-UHFFFAOYSA-N 0 3 287.750 2.775 20 30 CFEDHN C=CCOc1ccc(CNC[C@]2(C)CCCO2)cc1OC ZINC000152888274 378455647 /nfs/dbraw/zinc/45/56/47/378455647.db2.gz KCJWIHRCFIHFLX-KRWDZBQOSA-N 0 3 291.391 2.919 20 30 CFEDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(=O)Nc1nccs1 ZINC000329602475 378467741 /nfs/dbraw/zinc/46/77/41/378467741.db2.gz XZSGFFZPCZZDKQ-UKKRHICBSA-N 0 3 295.408 2.523 20 30 CFEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C[C@@H]1CCCCNC1=O ZINC000328778776 378423667 /nfs/dbraw/zinc/42/36/67/378423667.db2.gz DSJHKBYVRRPHDD-DYEKYZERSA-N 0 3 293.411 2.572 20 30 CFEDHN CCC(CC)CN1CCN(c2ncccc2C#N)CC1 ZINC000153904640 378521527 /nfs/dbraw/zinc/52/15/27/378521527.db2.gz QWKNHSOAJAVILG-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC000153299332 378484605 /nfs/dbraw/zinc/48/46/05/378484605.db2.gz FPVFWXJIWLNPED-AWEZNQCLSA-N 0 3 254.418 2.777 20 30 CFEDHN COc1cc(C(=O)NCCN2CCCC[C@H]2C)cc(C)n1 ZINC000330389731 378543895 /nfs/dbraw/zinc/54/38/95/378543895.db2.gz YFRKEZFKRULITP-CYBMUJFWSA-N 0 3 291.395 2.578 20 30 CFEDHN Cc1ocnc1C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000330428213 378552346 /nfs/dbraw/zinc/55/23/46/378552346.db2.gz HSNZEXRMOKKUHW-GRYCIOLGSA-N 0 3 279.384 2.654 20 30 CFEDHN CCCCN1CCCC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC000330458445 378561169 /nfs/dbraw/zinc/56/11/69/378561169.db2.gz POGRERBSUAILEA-ZDUSSCGKSA-N 0 3 278.400 2.677 20 30 CFEDHN C=CCNC(=O)CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154403810 378564857 /nfs/dbraw/zinc/56/48/57/378564857.db2.gz ZJPGODCSGRYTNJ-CYBMUJFWSA-N 0 3 274.408 2.937 20 30 CFEDHN CC[C@H]1CC[C@@H](C)N1CC(=O)NC(=O)Nc1ccccc1 ZINC000330656334 378594648 /nfs/dbraw/zinc/59/46/48/378594648.db2.gz NKSBPXLKFAXLEM-OCCSQVGLSA-N 0 3 289.379 2.611 20 30 CFEDHN CC(C)C(=O)N[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000330992278 378610709 /nfs/dbraw/zinc/61/07/09/378610709.db2.gz KVUAPKXMFMOQRU-AWEZNQCLSA-N 0 3 279.428 2.553 20 30 CFEDHN CC[C@@]1(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000330999595 378611302 /nfs/dbraw/zinc/61/13/02/378611302.db2.gz PTQPWBSBXKNWDL-WMZOPIPTSA-N 0 3 295.386 2.889 20 30 CFEDHN C[C@@H]1CN(CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000157647762 378657508 /nfs/dbraw/zinc/65/75/08/378657508.db2.gz JOZVYDIHVMJVGP-OAHLLOKOSA-N 0 3 290.455 2.872 20 30 CFEDHN COc1ccc(CN2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1C#N ZINC000331286017 378663683 /nfs/dbraw/zinc/66/36/83/378663683.db2.gz MAHVLJFGWKVORY-ZENOOKHLSA-N 0 3 288.391 2.548 20 30 CFEDHN CC#CCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000158338809 378665881 /nfs/dbraw/zinc/66/58/81/378665881.db2.gz GWRYXGBHFKFQLU-LBPRGKRZSA-N 0 3 259.349 2.522 20 30 CFEDHN CC#CCCNCc1ccc(OC)c(OC(F)F)c1 ZINC000158301267 378666532 /nfs/dbraw/zinc/66/65/32/378666532.db2.gz KAZMPTFIMUZTNT-UHFFFAOYSA-N 0 3 269.291 2.800 20 30 CFEDHN C=CCc1cc(CN(CCO)CCCC)cc(OC)c1O ZINC000159091247 378684879 /nfs/dbraw/zinc/68/48/79/378684879.db2.gz LOFBGHGHAPPDCL-UHFFFAOYSA-N 0 3 293.407 2.724 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000156518498 378642484 /nfs/dbraw/zinc/64/24/84/378642484.db2.gz YVIQVCJXMISVOT-CYBMUJFWSA-N 0 3 280.412 2.980 20 30 CFEDHN CCOc1nccc(C)c1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000331214134 378650381 /nfs/dbraw/zinc/65/03/81/378650381.db2.gz MQDPKYJLMCIUBI-CYBMUJFWSA-N 0 3 291.395 2.578 20 30 CFEDHN COC(=O)CCN(CC#Cc1ccc(F)cc1)CC(C)C ZINC000157182581 378650774 /nfs/dbraw/zinc/65/07/74/378650774.db2.gz YCIPJGHWZVUXEN-UHFFFAOYSA-N 0 3 291.366 2.698 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000157280584 378652754 /nfs/dbraw/zinc/65/27/54/378652754.db2.gz FMUKVYAOGITVFW-WBVHZDCISA-N 0 3 273.351 2.678 20 30 CFEDHN C[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000332057303 378721788 /nfs/dbraw/zinc/72/17/88/378721788.db2.gz ZRXOLRDMPZQPLE-GJZGRUSLSA-N 0 3 299.418 2.542 20 30 CFEDHN CCSCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000159772962 378728947 /nfs/dbraw/zinc/72/89/47/378728947.db2.gz XGANEOXPKOQOIL-UHFFFAOYSA-N 0 3 278.421 2.760 20 30 CFEDHN N#Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160440465 378772818 /nfs/dbraw/zinc/77/28/18/378772818.db2.gz ZVEILANAHKRBLB-IAGOWNOFSA-N 0 3 270.376 2.685 20 30 CFEDHN C[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1ccc(C#N)cc1F ZINC000332650415 378784396 /nfs/dbraw/zinc/78/43/96/378784396.db2.gz IFRTVUXJURCYOA-GXFFZTMASA-N 0 3 284.338 2.629 20 30 CFEDHN CC[C@H](C)[C@@H](C)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000332407230 378759449 /nfs/dbraw/zinc/75/94/49/378759449.db2.gz MFMILOGSBNCSNZ-LOWVWBTDSA-N 0 3 291.420 2.749 20 30 CFEDHN N#Cc1cccc(C2(NC[C@H]3CCC=CO3)CC2)c1 ZINC000278521262 194025249 /nfs/dbraw/zinc/02/52/49/194025249.db2.gz RZWSALDEODUMEE-OAHLLOKOSA-N 0 3 254.333 2.830 20 30 CFEDHN CCN1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000162907202 378942040 /nfs/dbraw/zinc/94/20/40/378942040.db2.gz LHTKWUIFELARCO-LBPRGKRZSA-N 0 3 277.799 2.738 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000334224694 378948742 /nfs/dbraw/zinc/94/87/42/378948742.db2.gz AOVZTDMCEPNTSY-BXKDBHETSA-N 0 3 278.739 2.830 20 30 CFEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1 ZINC000163870464 378993431 /nfs/dbraw/zinc/99/34/31/378993431.db2.gz WIISPDNPXUIXDY-KGLIPLIRSA-N 0 3 283.375 2.844 20 30 CFEDHN CC[C@H](N[C@@H](C)CO[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000278629191 194075946 /nfs/dbraw/zinc/07/59/46/194075946.db2.gz GTQYKJGWBWLWBF-JQFCIGGWSA-N 0 3 288.391 2.793 20 30 CFEDHN CC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1 ZINC000278797383 194159562 /nfs/dbraw/zinc/15/95/62/194159562.db2.gz QVTKXHWBLLFZGC-NUEKZKHPSA-N 0 3 256.349 2.536 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000335390230 379208047 /nfs/dbraw/zinc/20/80/47/379208047.db2.gz VDNXHDHFPSJOQU-JGVFFNPUSA-N 0 3 254.692 2.816 20 30 CFEDHN COCCSCCCNC1(c2cccc(C#N)c2)CC1 ZINC000278878356 194193380 /nfs/dbraw/zinc/19/33/80/194193380.db2.gz OXESALWZDVJDKC-UHFFFAOYSA-N 0 3 290.432 2.907 20 30 CFEDHN C=CCNC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000171127700 379239700 /nfs/dbraw/zinc/23/97/00/379239700.db2.gz IKOLQCLIULOFBN-HNNXBMFYSA-N 0 3 278.783 2.683 20 30 CFEDHN C=CCCC(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000171435929 379307670 /nfs/dbraw/zinc/30/76/70/379307670.db2.gz AZKRXQLRLZECSC-UHFFFAOYSA-N 0 3 287.407 2.733 20 30 CFEDHN C[C@H](NCCO[C@H]1CCCCO1)c1ccc(C#N)cc1 ZINC000278936522 194221015 /nfs/dbraw/zinc/22/10/15/194221015.db2.gz XTELVWDAZLWKOU-BBRMVZONSA-N 0 3 274.364 2.752 20 30 CFEDHN C=CCN1CCC(NC(=O)C(C)(C)c2ccccc2)CC1 ZINC000171720354 379384572 /nfs/dbraw/zinc/38/45/72/379384572.db2.gz PXTSZTDCROXQTI-UHFFFAOYSA-N 0 3 286.419 2.731 20 30 CFEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2ccco2)CC1 ZINC000171739901 379392239 /nfs/dbraw/zinc/39/22/39/379392239.db2.gz JUVHFLAOGLDHDY-CYBMUJFWSA-N 0 3 291.395 2.632 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000335467205 379349877 /nfs/dbraw/zinc/34/98/77/379349877.db2.gz CGELGFFUBINKME-LLVKDONJSA-N 0 3 292.329 2.906 20 30 CFEDHN CC(C)(C)[C@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000278946711 194224876 /nfs/dbraw/zinc/22/48/76/194224876.db2.gz YNEZECWQKDWCNQ-AWEZNQCLSA-N 0 3 265.784 2.688 20 30 CFEDHN C[C@@H]1C[C@H](N(C)c2ncc(C#N)cc2Cl)CCN1C ZINC000172765258 379642185 /nfs/dbraw/zinc/64/21/85/379642185.db2.gz HBWLRVXYQMQLQI-ZYHUDNBSSA-N 0 3 278.787 2.526 20 30 CFEDHN C=CCCN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000172620180 379608979 /nfs/dbraw/zinc/60/89/79/379608979.db2.gz BPAHTDSBWKNATK-UHFFFAOYSA-N 0 3 274.408 2.779 20 30 CFEDHN C=CC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172801017 379650179 /nfs/dbraw/zinc/65/01/79/379650179.db2.gz OLPOOUUYTRQDPS-MRXNPFEDSA-N 0 3 286.375 2.910 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000335671464 379694574 /nfs/dbraw/zinc/69/45/74/379694574.db2.gz MBSUBDNPRJLEOK-SMDDNHRTSA-N 0 3 260.312 2.519 20 30 CFEDHN CC(C)OC(=O)CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000173582298 379754203 /nfs/dbraw/zinc/75/42/03/379754203.db2.gz WWPHPVNDNVFIBA-UHFFFAOYSA-N 0 3 286.375 2.864 20 30 CFEDHN CC1(C)CCC[C@H]1CCNCc1cnc2c(C#N)cnn2c1 ZINC000529638236 383739625 /nfs/dbraw/zinc/73/96/25/383739625.db2.gz JIIBROYUTAVSCE-HNNXBMFYSA-N 0 3 297.406 2.907 20 30 CFEDHN COc1cccc([C@@H](CNCc2ccc(C#N)o2)N(C)C)c1 ZINC000174237955 379848540 /nfs/dbraw/zinc/84/85/40/379848540.db2.gz BTYQQVLQXOYBPA-QGZVFWFLSA-N 0 3 299.374 2.552 20 30 CFEDHN CC(C#N)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000334735774 379849417 /nfs/dbraw/zinc/84/94/17/379849417.db2.gz PEEONFZECMXVQF-FZMZJTMJSA-N 0 3 282.347 2.776 20 30 CFEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NCc1ccc(C#N)o1 ZINC000174302644 379860880 /nfs/dbraw/zinc/86/08/80/379860880.db2.gz UQJLSLCFPYPFNB-MGPQQGTHSA-N 0 3 275.396 2.607 20 30 CFEDHN N#Cc1ccc(C2=CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000335748149 379826500 /nfs/dbraw/zinc/82/65/00/379826500.db2.gz QMDMAAANTXCJEG-QGZVFWFLSA-N 0 3 268.360 2.826 20 30 CFEDHN CCc1cnc(CCNCc2cccc(C#N)c2)s1 ZINC000174624786 379918974 /nfs/dbraw/zinc/91/89/74/379918974.db2.gz HXOVFGCTLRAFDM-UHFFFAOYSA-N 0 3 271.389 2.909 20 30 CFEDHN Cc1nc(C)c(CCNCc2ccc(C#N)o2)s1 ZINC000174372122 379872456 /nfs/dbraw/zinc/87/24/56/379872456.db2.gz MXGWMYMNEQHJKU-UHFFFAOYSA-N 0 3 261.350 2.557 20 30 CFEDHN N#Cc1ccc(CNC[C@@H]2CCc3ccccc32)o1 ZINC000174376108 379873306 /nfs/dbraw/zinc/87/33/06/379873306.db2.gz KNEBALZKQCOTII-ZDUSSCGKSA-N 0 3 252.317 2.971 20 30 CFEDHN CS[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000174406596 379878110 /nfs/dbraw/zinc/87/81/10/379878110.db2.gz JERPCFSBGQXUJQ-ZWNOBZJWSA-N 0 3 250.367 2.915 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000335116601 379976877 /nfs/dbraw/zinc/97/68/77/379976877.db2.gz LOFXBQXCLNVOBO-UONOGXRCSA-N 0 3 264.413 2.531 20 30 CFEDHN C[C@@H](N[C@H]1COCC1(C)C)c1ccc(C#N)cc1F ZINC000335223742 380033710 /nfs/dbraw/zinc/03/37/10/380033710.db2.gz PCDAXBSYEOWNHU-YGRLFVJLSA-N 0 3 262.328 2.773 20 30 CFEDHN Cc1cnn([C@H]2CCN(Cc3ccc(C#N)c(C)c3)C2)c1 ZINC000335870267 380025857 /nfs/dbraw/zinc/02/58/57/380025857.db2.gz UPKNROGMXAFPPY-KRWDZBQOSA-N 0 3 280.375 2.819 20 30 CFEDHN CC1(C)COC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000335221861 380031520 /nfs/dbraw/zinc/03/15/20/380031520.db2.gz JOOYJZUYCXQYIM-CABCVRRESA-N 0 3 256.349 2.560 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](O)C23CCCC3)cc1F ZINC000335235060 380055619 /nfs/dbraw/zinc/05/56/19/380055619.db2.gz KLQAFRWZKTUUSS-HNNXBMFYSA-N 0 3 274.339 2.577 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000335893309 380064643 /nfs/dbraw/zinc/06/46/43/380064643.db2.gz VSWJZKDVRWHCSC-JOYOIKCWSA-N 0 3 278.739 2.830 20 30 CFEDHN N#Cc1cccc(CN2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000335247065 380076185 /nfs/dbraw/zinc/07/61/85/380076185.db2.gz CSOCKKKLEDJAKG-MSOLQXFVSA-N 0 3 278.355 2.866 20 30 CFEDHN CC[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000175866144 380145360 /nfs/dbraw/zinc/14/53/60/380145360.db2.gz OJQQPXIHYHGSQD-SZEPBZDZSA-N 0 3 296.461 2.789 20 30 CFEDHN Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)c(CN(C)C)c1 ZINC000175660434 380109331 /nfs/dbraw/zinc/10/93/31/380109331.db2.gz JTPLKKAPYFFJIK-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)C(C)C ZINC000176070578 380175126 /nfs/dbraw/zinc/17/51/26/380175126.db2.gz QOEBWMLRPZPVCL-IKGGRYGDSA-N 0 3 290.451 2.847 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000176523604 380248742 /nfs/dbraw/zinc/24/87/42/380248742.db2.gz HPSALDNEQYTLME-UHFFFAOYSA-N 0 3 276.380 2.667 20 30 CFEDHN CC(C#N)C(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000336338475 380324016 /nfs/dbraw/zinc/32/40/16/380324016.db2.gz SNVJBPFYMMEFBO-JSGCOSHPSA-N 0 3 254.333 2.900 20 30 CFEDHN C=CCN1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000264480414 383744603 /nfs/dbraw/zinc/74/46/03/383744603.db2.gz UIMAYMGMOFEHJU-UHFFFAOYSA-N 0 3 286.335 2.529 20 30 CFEDHN Cc1ccc(CN(CCO)Cc2cccc(C#N)c2)cc1 ZINC000177694506 380369053 /nfs/dbraw/zinc/36/90/53/380369053.db2.gz OOVVJANNHBQLKB-UHFFFAOYSA-N 0 3 280.371 2.861 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC000179106901 380510287 /nfs/dbraw/zinc/51/02/87/380510287.db2.gz ZMQKFABEKNVMEQ-KDOFPFPSSA-N 0 3 299.418 2.735 20 30 CFEDHN C=CCCCNCc1c(Br)c(C)nn1C ZINC000279129403 194295703 /nfs/dbraw/zinc/29/57/03/194295703.db2.gz MLTXGRICJQQXBQ-UHFFFAOYSA-N 0 3 272.190 2.547 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000178555030 380465052 /nfs/dbraw/zinc/46/50/52/380465052.db2.gz MKPHUINNJCKCRD-UHFFFAOYSA-N 0 3 298.390 2.615 20 30 CFEDHN C=CCCCCCN(C)C(=O)[C@H](CN)c1ccccc1 ZINC000178574630 380466423 /nfs/dbraw/zinc/46/64/23/380466423.db2.gz AALFRAWLQOWHOO-MRXNPFEDSA-N 0 3 274.408 2.934 20 30 CFEDHN C=C[C@H](CO)NCc1ccc(Br)c(Cl)c1 ZINC000336728213 380616779 /nfs/dbraw/zinc/61/67/79/380616779.db2.gz IAKKZLICXXTLSS-SECBINFHSA-N 0 3 290.588 2.739 20 30 CFEDHN CN(C)c1cccc(NCc2cccc(C#N)c2)n1 ZINC000180527854 380672675 /nfs/dbraw/zinc/67/26/75/380672675.db2.gz JBMBXJTWRAGXOG-UHFFFAOYSA-N 0 3 252.321 2.631 20 30 CFEDHN C#CCOc1ccccc1CNCC[C@H]1CCCCO1 ZINC000181251907 380765116 /nfs/dbraw/zinc/76/51/16/380765116.db2.gz JBDVLUZZIGOCAJ-MRXNPFEDSA-N 0 3 273.376 2.747 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000180916718 380711927 /nfs/dbraw/zinc/71/19/27/380711927.db2.gz LKJKEDXRDHPXGE-MELADBBJSA-N 0 3 279.428 2.656 20 30 CFEDHN CC[C@@H]1CCC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000279167428 194313986 /nfs/dbraw/zinc/31/39/86/194313986.db2.gz BPVSALQQNCGUKU-ZYHUDNBSSA-N 0 3 277.393 2.727 20 30 CFEDHN C=CCC[C@H](O)CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000181437040 380793046 /nfs/dbraw/zinc/79/30/46/380793046.db2.gz XLTBNVAAHWZHGW-WFASDCNBSA-N 0 3 285.334 2.569 20 30 CFEDHN N#Cc1ccc(CNCCC[C@@H]2CCOC2)c(F)c1 ZINC000402075795 380879836 /nfs/dbraw/zinc/87/98/36/380879836.db2.gz RRTGSPRTBJFUEN-GFCCVEGCSA-N 0 3 262.328 2.604 20 30 CFEDHN C=CC[C@H](CO)CNCc1c(C2CC2)nc2sccn12 ZINC000341266372 380880778 /nfs/dbraw/zinc/88/07/78/380880778.db2.gz IKZQBUVNEXFHAK-NSHDSACASA-N 0 3 291.420 2.547 20 30 CFEDHN COc1cc(CN2CCC(CCCO)CC2)ccc1C#N ZINC000401111604 380869032 /nfs/dbraw/zinc/86/90/32/380869032.db2.gz GVAYYWIXEQJKDY-UHFFFAOYSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCN(C[C@@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000347008489 380874721 /nfs/dbraw/zinc/87/47/21/380874721.db2.gz DUBLNSXWFQEDTN-HNNXBMFYSA-N 0 3 265.784 2.894 20 30 CFEDHN C=CCC[C@H](NCCC1(O)CCOCC1)c1ccco1 ZINC000287462106 380837911 /nfs/dbraw/zinc/83/79/11/380837911.db2.gz LYIUOHDWEXGSEN-AWEZNQCLSA-N 0 3 279.380 2.808 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCCC[C@H]2C)CCC1 ZINC000358490826 380878832 /nfs/dbraw/zinc/87/88/32/380878832.db2.gz ILCXDDCQGNLFAU-CQSZACIVSA-N 0 3 264.413 2.723 20 30 CFEDHN CCN(CCCCC(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000181649593 380854109 /nfs/dbraw/zinc/85/41/09/380854109.db2.gz IVQBTSRKIFTFLI-ZDUSSCGKSA-N 0 3 268.401 2.980 20 30 CFEDHN N#Cc1ccc(CNCCc2ccc3c[nH]nc3c2)c(F)c1 ZINC000341241760 380855081 /nfs/dbraw/zinc/85/50/81/380855081.db2.gz ZGZXKHZUDKJKDJ-UHFFFAOYSA-N 0 3 294.333 2.906 20 30 CFEDHN CC(C)(C)C(=O)N1CCC(CN[C@@H]2CCC[C@H]2C#N)CC1 ZINC000408465367 380928459 /nfs/dbraw/zinc/92/84/59/380928459.db2.gz IUZNSJTUEONVSP-LSDHHAIUSA-N 0 3 291.439 2.553 20 30 CFEDHN C=CC[C@H](CO)CNCc1cc2cc(F)ccc2o1 ZINC000341269457 380885116 /nfs/dbraw/zinc/88/51/16/380885116.db2.gz CQBLOUKFEMJEKN-NSHDSACASA-N 0 3 263.312 2.846 20 30 CFEDHN C=C(CC)CN(C)CCN1CCN(c2ccccc2)CC1 ZINC000358502528 380886137 /nfs/dbraw/zinc/88/61/37/380886137.db2.gz VMJTUMUZSJFUPU-UHFFFAOYSA-N 0 3 287.451 2.707 20 30 CFEDHN C=C(CC)CN1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000358510237 380891891 /nfs/dbraw/zinc/89/18/91/380891891.db2.gz PBQVHKOVMHLELR-GJZGRUSLSA-N 0 3 252.402 2.674 20 30 CFEDHN C=C(CC)CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000358512494 380895603 /nfs/dbraw/zinc/89/56/03/380895603.db2.gz TUHQWMXAYZPWEC-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN C=CCSCCNCc1ccc(C#N)c(F)c1 ZINC000404014356 380897554 /nfs/dbraw/zinc/89/75/54/380897554.db2.gz QUJYFIFKHUEYAI-UHFFFAOYSA-N 0 3 250.342 2.706 20 30 CFEDHN CC[C@H](CSC)NCc1ccc(C#N)c(F)c1 ZINC000403989798 380897927 /nfs/dbraw/zinc/89/79/27/380897927.db2.gz IUHOFQUVKNDFFP-GFCCVEGCSA-N 0 3 252.358 2.929 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CCCCO1 ZINC000404085248 380898949 /nfs/dbraw/zinc/89/89/49/380898949.db2.gz QZUJYZDHGHFWKE-IAQYHMDHSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@H](NCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1 ZINC000181805447 380901062 /nfs/dbraw/zinc/90/10/62/380901062.db2.gz TYQBHPCTOZMHDT-LBPRGKRZSA-N 0 3 274.364 2.941 20 30 CFEDHN C=CCCCNC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000279244076 194349940 /nfs/dbraw/zinc/34/99/40/194349940.db2.gz HGZBKXQZHCRRKJ-UHFFFAOYSA-N 0 3 293.411 2.627 20 30 CFEDHN C#Cc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000295511890 380907140 /nfs/dbraw/zinc/90/71/40/380907140.db2.gz PYTZJQRNFASVCT-GOSISDBHSA-N 0 3 296.414 2.691 20 30 CFEDHN C=CC[C@@H](CO)CNCc1ccc(OC)c(OC)c1Cl ZINC000341292819 380908948 /nfs/dbraw/zinc/90/89/48/380908948.db2.gz HPZNDCMYODPUST-LLVKDONJSA-N 0 3 299.798 2.631 20 30 CFEDHN C[C@@H](CO)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358552571 380920413 /nfs/dbraw/zinc/92/04/13/380920413.db2.gz GHOXAFYSRNSVGC-NEPJUHHUSA-N 0 3 264.344 2.757 20 30 CFEDHN CC(C)N(C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358553421 380920455 /nfs/dbraw/zinc/92/04/55/380920455.db2.gz ILUMYOHYPDNJOB-LBPRGKRZSA-N 0 3 263.360 2.688 20 30 CFEDHN C[C@@H](NC[C@]1(C)CCCO1)c1ccc(C#N)cc1F ZINC000358555426 380923049 /nfs/dbraw/zinc/92/30/49/380923049.db2.gz KZXKSVXHNWBGRL-ABAIWWIYSA-N 0 3 262.328 2.917 20 30 CFEDHN C[C@H](O)C[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000341311490 380924996 /nfs/dbraw/zinc/92/49/96/380924996.db2.gz WSLFLRCDRFJTEQ-DCAQKATOSA-N 0 3 250.317 2.507 20 30 CFEDHN CCC[C@@H](O)CN[C@H](C)c1ccc(C#N)cc1F ZINC000358591399 380954112 /nfs/dbraw/zinc/95/41/12/380954112.db2.gz OYBXKOOTBHRDQV-ZYHUDNBSSA-N 0 3 250.317 2.509 20 30 CFEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)CN(C)CCC ZINC000358595996 380958378 /nfs/dbraw/zinc/95/83/78/380958378.db2.gz RQTPCYBZPJWQMK-UHFFFAOYSA-N 0 3 290.407 2.552 20 30 CFEDHN COCCOCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358575508 380941361 /nfs/dbraw/zinc/94/13/61/380941361.db2.gz SVJVIYCFQIFZRW-CYBMUJFWSA-N 0 3 294.370 2.791 20 30 CFEDHN Cc1nccn1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358583140 380948035 /nfs/dbraw/zinc/94/80/35/380948035.db2.gz GABCPZIWZVHOMB-NSHDSACASA-N 0 3 272.327 2.553 20 30 CFEDHN N#Cc1cccc(OCCN2CCC3(CC3)CC2)c1 ZINC000368424386 381019345 /nfs/dbraw/zinc/01/93/45/381019345.db2.gz JNWYIUOTKJBFPA-UHFFFAOYSA-N 0 3 256.349 2.813 20 30 CFEDHN CN(CCC1(C#N)CCCCC1)C1(C(N)=O)CCCC1 ZINC000411410914 381027335 /nfs/dbraw/zinc/02/73/35/381027335.db2.gz XEKUOMCJAAKNLG-UHFFFAOYSA-N 0 3 277.412 2.580 20 30 CFEDHN Cc1c(Cl)cnc(N2CCCN(C3CC3)CC2)c1C#N ZINC000368349479 380998312 /nfs/dbraw/zinc/99/83/12/380998312.db2.gz SDCDJADGYAQRFS-UHFFFAOYSA-N 0 3 290.798 2.590 20 30 CFEDHN C#C[C@@H](NCc1cc(OC)c(OCC)c(OC)c1)C(C)C ZINC000289588396 381057644 /nfs/dbraw/zinc/05/76/44/381057644.db2.gz ULUQVUKSMAZXCC-CQSZACIVSA-N 0 3 291.391 2.850 20 30 CFEDHN CO[C@@](C)([C@H](C)NCc1ccc(C#N)cc1F)C1CC1 ZINC000411954228 381071691 /nfs/dbraw/zinc/07/16/91/381071691.db2.gz SVKBFLIERRHFTK-ZBEGNZNMSA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000358798225 381090565 /nfs/dbraw/zinc/09/05/65/381090565.db2.gz ZQLPAMLGDTUDOQ-ZFWWWQNUSA-N 0 3 279.428 2.515 20 30 CFEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2C[C@@H](O)C2)cc1 ZINC000295812086 381091489 /nfs/dbraw/zinc/09/14/89/381091489.db2.gz BDOQIYZHXJXCEA-FPMFFAJLSA-N 0 3 281.783 2.992 20 30 CFEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000289686786 381103716 /nfs/dbraw/zinc/10/37/16/381103716.db2.gz ZYFMMKVFILNOSS-NEPJUHHUSA-N 0 3 278.783 2.977 20 30 CFEDHN Cn1cccc1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000368750731 381123161 /nfs/dbraw/zinc/12/31/61/381123161.db2.gz IZHDXCMXGSEQDJ-UHFFFAOYSA-N 0 3 294.402 2.609 20 30 CFEDHN COC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000412071168 381141413 /nfs/dbraw/zinc/14/14/13/381141413.db2.gz OXIZJZUFAOWRDC-QGZVFWFLSA-N 0 3 286.375 2.642 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCCOC(C)C ZINC000354219228 381145692 /nfs/dbraw/zinc/14/56/92/381145692.db2.gz DENIEPYNZSZECN-HNNXBMFYSA-N 0 3 284.444 2.546 20 30 CFEDHN Cc1cccc2c1OC[C@@H](NCc1ccc(C#N)cc1)C2 ZINC000289732519 381126116 /nfs/dbraw/zinc/12/61/16/381126116.db2.gz VKKILIBHIVWLJN-KRWDZBQOSA-N 0 3 278.355 2.960 20 30 CFEDHN C=C[C@@H](CO)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000289817706 381173821 /nfs/dbraw/zinc/17/38/21/381173821.db2.gz OVORHQMDLKAQOR-SKDRFNHKSA-N 0 3 259.271 2.903 20 30 CFEDHN C=C[C@H](CO)N[C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000289848882 381185149 /nfs/dbraw/zinc/18/51/49/381185149.db2.gz QHZXKGVGRYFYMM-MLGOLLRUSA-N 0 3 270.376 2.990 20 30 CFEDHN Cc1nnc(CCN[C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000289862164 381192415 /nfs/dbraw/zinc/19/24/15/381192415.db2.gz RAJXHRCLGCLSAG-SECBINFHSA-N 0 3 290.367 2.751 20 30 CFEDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cnccc1C#N ZINC000354324488 381202221 /nfs/dbraw/zinc/20/22/21/381202221.db2.gz OHYJPMDGUJOLGH-CHWSQXEVSA-N 0 3 258.369 2.628 20 30 CFEDHN CCN(CC)[C@@H](CNc1cc(C#N)cc(C)n1)c1ccco1 ZINC000341926492 381202979 /nfs/dbraw/zinc/20/29/79/381202979.db2.gz HTFIFUIVAZZMDY-HNNXBMFYSA-N 0 3 298.390 2.772 20 30 CFEDHN Cc1cnn([C@H]2CCN(Cc3cccc(C#N)c3)C2)c1 ZINC000289922525 381219010 /nfs/dbraw/zinc/21/90/10/381219010.db2.gz OQPJXNRIGLWAAE-INIZCTEOSA-N 0 3 266.348 2.510 20 30 CFEDHN CN(CCCN(C)Cc1ccc(C#N)o1)Cc1ccco1 ZINC000289977293 381243754 /nfs/dbraw/zinc/24/37/54/381243754.db2.gz ZNHJWJSTSQWZNC-UHFFFAOYSA-N 0 3 287.363 2.698 20 30 CFEDHN C[C@H](c1ccc(F)cc1)N1CCC(n2cnc(C#N)n2)CC1 ZINC000369387624 381249190 /nfs/dbraw/zinc/24/91/90/381249190.db2.gz CHBJCQPJPZIDKF-GFCCVEGCSA-N 0 3 299.353 2.687 20 30 CFEDHN C=C[C@H](CO)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000289984715 381249458 /nfs/dbraw/zinc/24/94/58/381249458.db2.gz YBHBZJLAIHNHAZ-MWLCHTKSSA-N 0 3 275.270 2.783 20 30 CFEDHN N#Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)s1 ZINC000289986098 381249626 /nfs/dbraw/zinc/24/96/26/381249626.db2.gz XFNOMSRGKVNGSC-IAGOWNOFSA-N 0 3 298.411 2.876 20 30 CFEDHN C=CCCCCCCNCc1cn(Cc2cccnc2)nn1 ZINC000290083695 381291236 /nfs/dbraw/zinc/29/12/36/381291236.db2.gz JCBPTPHZSIQFQF-UHFFFAOYSA-N 0 3 299.422 2.948 20 30 CFEDHN C=CCC[C@H](NCc1nnc(CC)s1)C1CC1 ZINC000290086040 381293954 /nfs/dbraw/zinc/29/39/54/381293954.db2.gz HECDGNVESTXKJM-NSHDSACASA-N 0 3 251.399 2.935 20 30 CFEDHN C=CC[C@@H](C)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000342359564 381294071 /nfs/dbraw/zinc/29/40/71/381294071.db2.gz MCZKNCFMVFPXAU-ZIAGYGMSSA-N 0 3 252.402 2.578 20 30 CFEDHN C#C[C@H](NCc1ccc(C#N)c(OC)c1)C(C)(C)C ZINC000290103493 381299726 /nfs/dbraw/zinc/29/97/26/381299726.db2.gz HVYINPHHIBSMGA-HNNXBMFYSA-N 0 3 256.349 2.704 20 30 CFEDHN C#C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)C(C)(C)C ZINC000290112666 381304933 /nfs/dbraw/zinc/30/49/33/381304933.db2.gz IISYQEDABAYWKG-MRXNPFEDSA-N 0 3 284.403 2.733 20 30 CFEDHN C=CCOc1ccc(CN2C[C@H](C)N(C)[C@@H](C)C2)cc1 ZINC000354457486 381283268 /nfs/dbraw/zinc/28/32/68/381283268.db2.gz XZPCPVQXJGYKHG-GJZGRUSLSA-N 0 3 274.408 2.776 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ncsc2C(C)C)CC1 ZINC000290166489 381326456 /nfs/dbraw/zinc/32/64/56/381326456.db2.gz DQVXZCRYARUGGN-UHFFFAOYSA-N 0 3 293.436 2.647 20 30 CFEDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(C)C#N)cc1 ZINC000347729523 381319559 /nfs/dbraw/zinc/31/95/59/381319559.db2.gz HSGXZEPQAYNEEK-BMFZPTHFSA-N 0 3 286.375 2.739 20 30 CFEDHN N#CC(C(=O)c1ccccc1-n1cccn1)c1ccccn1 ZINC000049457458 412944470 /nfs/dbraw/zinc/94/44/70/412944470.db2.gz HMWPSYRGPBBKAF-CQSZACIVSA-N 0 3 288.310 2.757 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@](CO)(CCC)C1 ZINC000290236926 381353732 /nfs/dbraw/zinc/35/37/32/381353732.db2.gz UGRJNWIBTLLGRK-GOSISDBHSA-N 0 3 287.403 2.683 20 30 CFEDHN CC(C)(CO)C(C)(C)NCc1ccc(C#N)cc1F ZINC000347804163 381358051 /nfs/dbraw/zinc/35/80/51/381358051.db2.gz LJNYIGRYPJXZBG-UHFFFAOYSA-N 0 3 264.344 2.584 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCCc2nc(Cl)ccc21 ZINC000296487882 381417524 /nfs/dbraw/zinc/41/75/24/381417524.db2.gz PMDKPFVMRUEURQ-JQWIXIFHSA-N 0 3 266.772 2.639 20 30 CFEDHN CC(C)N(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000342605194 381429883 /nfs/dbraw/zinc/42/98/83/381429883.db2.gz IGMMUZFTUQWXIW-UHFFFAOYSA-N 0 3 277.412 2.544 20 30 CFEDHN C=CCCC[C@H](C)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000348249511 381476684 /nfs/dbraw/zinc/47/66/84/381476684.db2.gz XHFGWYZLPKMRSW-SOUVJXGZSA-N 0 3 253.386 2.611 20 30 CFEDHN N#Cc1ncccc1NCCCN1CCc2ccccc2C1 ZINC000290561333 381479950 /nfs/dbraw/zinc/47/99/50/381479950.db2.gz RYWFMZQOHWLMCR-UHFFFAOYSA-N 0 3 292.386 2.814 20 30 CFEDHN C=CCOCCCN1CCC(Oc2cc(C)ccn2)CC1 ZINC000348057889 381458458 /nfs/dbraw/zinc/45/84/58/381458458.db2.gz USFKXQSEJHBQCQ-UHFFFAOYSA-N 0 3 290.407 2.826 20 30 CFEDHN C=CCOCCCN(C)Cc1cc(Cl)cn1C ZINC000348056283 381459067 /nfs/dbraw/zinc/45/90/67/381459067.db2.gz RAKJWRQEWZPTOJ-UHFFFAOYSA-N 0 3 256.777 2.703 20 30 CFEDHN C=CCCN(C)CC(=O)N(CC)Cc1ccccc1 ZINC000342728499 381504778 /nfs/dbraw/zinc/50/47/78/381504778.db2.gz HXGNRVQVTKVHRU-UHFFFAOYSA-N 0 3 260.381 2.543 20 30 CFEDHN CN(C)CCOc1ccccc1CNc1cc(C#N)ccn1 ZINC000290649669 381509699 /nfs/dbraw/zinc/50/96/99/381509699.db2.gz OPZDQWWBWRFVFB-UHFFFAOYSA-N 0 3 296.374 2.506 20 30 CFEDHN C=CCCN(C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000342740288 381511127 /nfs/dbraw/zinc/51/11/27/381511127.db2.gz RWWZZBDWORCYHI-OAHLLOKOSA-N 0 3 276.355 2.829 20 30 CFEDHN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C1CC1 ZINC000290746864 381537918 /nfs/dbraw/zinc/53/79/18/381537918.db2.gz ICJRQOKWOWBHCN-CVEARBPZSA-N 0 3 270.376 2.712 20 30 CFEDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000354964059 381540635 /nfs/dbraw/zinc/54/06/35/381540635.db2.gz HUDYJWXRAABPQK-IUIKQTSFSA-N 0 3 292.354 2.542 20 30 CFEDHN C=CCN1CCC(NC(=O)C[C@H](C)C(C)(C)C)CC1 ZINC000342788689 381542104 /nfs/dbraw/zinc/54/21/04/381542104.db2.gz PIRBBLZILDGFSG-ZDUSSCGKSA-N 0 3 266.429 2.825 20 30 CFEDHN C=CCCN(C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000342765741 381524873 /nfs/dbraw/zinc/52/48/73/381524873.db2.gz QWDDNVCTIYBMHI-MOKVOYLWSA-N 0 3 252.402 2.578 20 30 CFEDHN CC(C)(C#N)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000359640346 381527065 /nfs/dbraw/zinc/52/70/65/381527065.db2.gz VNWFBIWMPHRHQH-UHFFFAOYSA-N 0 3 299.418 2.952 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000370975864 381529244 /nfs/dbraw/zinc/52/92/44/381529244.db2.gz HHDKXGDJUIVSEK-TZMCWYRMSA-N 0 3 288.391 2.783 20 30 CFEDHN CC#CCCCC(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000185246223 381576886 /nfs/dbraw/zinc/57/68/86/381576886.db2.gz SXWYRQHWDDWWRX-UHFFFAOYSA-N 0 3 290.407 2.672 20 30 CFEDHN C[C@@H](NC1(c2cccc(C#N)c2)CC1)[C@@H]1CCCO1 ZINC000342810088 381558373 /nfs/dbraw/zinc/55/83/73/381558373.db2.gz OLCSXSVPDQNTKQ-DOMZBBRYSA-N 0 3 256.349 2.704 20 30 CFEDHN C=CCC[C@H](NCCc1cn(C)cn1)c1ccco1 ZINC000414127876 381562365 /nfs/dbraw/zinc/56/23/65/381562365.db2.gz QPWANWYCPSVWNH-AWEZNQCLSA-N 0 3 259.353 2.853 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(OC)cc1C ZINC000414133831 381563394 /nfs/dbraw/zinc/56/33/94/381563394.db2.gz BLYULIMFJAJXSJ-WQVCFCJDSA-N 0 3 261.365 2.998 20 30 CFEDHN C[C@H](NCC(C)(C)CC#N)c1ccccc1-n1ccnn1 ZINC000414165406 381565486 /nfs/dbraw/zinc/56/54/86/381565486.db2.gz LXARIHVPRFLMBG-ZDUSSCGKSA-N 0 3 283.379 2.858 20 30 CFEDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@@H](C#N)C1 ZINC000414226121 381570649 /nfs/dbraw/zinc/57/06/49/381570649.db2.gz SWTLTNRUXYNLBX-UOJCXKCYSA-N 0 3 270.376 2.971 20 30 CFEDHN Cc1nc(N[C@@H]2CCN3CCCC[C@@H]23)c(Cl)cc1C#N ZINC000290926794 381599282 /nfs/dbraw/zinc/59/92/82/381599282.db2.gz INAZHODYNJGHPO-KGLIPLIRSA-N 0 3 290.798 2.954 20 30 CFEDHN Cc1cc(NC(=O)CCN[C@@H](C)c2ccc(C#N)cc2)no1 ZINC000298397351 381607829 /nfs/dbraw/zinc/60/78/29/381607829.db2.gz ILSZXMPBDFDWMZ-LBPRGKRZSA-N 0 3 298.346 2.534 20 30 CFEDHN FC(F)O[C@@H]1CCC[C@H]1NCC#Cc1ccccc1 ZINC000348519741 381604406 /nfs/dbraw/zinc/60/44/06/381604406.db2.gz FUGCPTJUJMVWPT-ZIAGYGMSSA-N 0 3 265.303 2.788 20 30 CFEDHN CC(C)[C@H](CCO)NCc1ccc(C#N)cc1OC(F)F ZINC000355060883 381588885 /nfs/dbraw/zinc/58/88/85/381588885.db2.gz QPNCXEYEIIUSHU-ZDUSSCGKSA-N 0 3 298.333 2.656 20 30 CFEDHN C#CCOc1ccccc1CN1CC[C@H](n2cc(C)cn2)C1 ZINC000290908494 381594133 /nfs/dbraw/zinc/59/41/33/381594133.db2.gz MULOBMSCBKBUEV-KRWDZBQOSA-N 0 3 295.386 2.651 20 30 CFEDHN COc1ccc(CN2CC[C@H]3CCC[C@H]32)cc1C#N ZINC000355096516 381608183 /nfs/dbraw/zinc/60/81/83/381608183.db2.gz CKKGTGLIYKTXLB-UKRRQHHQSA-N 0 3 256.349 2.941 20 30 CFEDHN C[C@H](CN1CCCCCC1)NC(=O)c1cccc(CC#N)c1 ZINC000185428779 381629384 /nfs/dbraw/zinc/62/93/84/381629384.db2.gz JMNLTGFNLUAFEW-OAHLLOKOSA-N 0 3 299.418 2.747 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1F ZINC000355128053 381630342 /nfs/dbraw/zinc/63/03/42/381630342.db2.gz GZNXSMUNZOUWFA-FVQBIDKESA-N 0 3 286.350 2.745 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cnccc2C#N)c1 ZINC000342993866 381642495 /nfs/dbraw/zinc/64/24/95/381642495.db2.gz YBCUIFWUKYIFNB-UHFFFAOYSA-N 0 3 294.358 2.576 20 30 CFEDHN C=C(C)CN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000371497268 381645589 /nfs/dbraw/zinc/64/55/89/381645589.db2.gz KKGNYWDGFNLFOS-UHFFFAOYSA-N 0 3 273.380 2.617 20 30 CFEDHN CC#CCN(C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000298506730 381655200 /nfs/dbraw/zinc/65/52/00/381655200.db2.gz VAEZFIOVTXCTBH-UHFFFAOYSA-N 0 3 294.782 2.632 20 30 CFEDHN C=CCOCCN[C@@H]1CCCOc2cc(F)ccc21 ZINC000371588745 381662765 /nfs/dbraw/zinc/66/27/65/381662765.db2.gz PLGFKIRHFPPFCD-CQSZACIVSA-N 0 3 265.328 2.832 20 30 CFEDHN C#CCN(C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000298538467 381666383 /nfs/dbraw/zinc/66/63/83/381666383.db2.gz MWVORIVXZQJHCQ-UHFFFAOYSA-N 0 3 285.174 2.887 20 30 CFEDHN C[C@@H]1CCN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000343317190 381673685 /nfs/dbraw/zinc/67/36/85/381673685.db2.gz CXOSXCRKMQWDHY-MRXNPFEDSA-N 0 3 283.419 2.887 20 30 CFEDHN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2cccnc2)cc1 ZINC000343389775 381680104 /nfs/dbraw/zinc/68/01/04/381680104.db2.gz LQHOVRITEVYPFD-IRXDYDNUSA-N 0 3 279.343 2.573 20 30 CFEDHN CCC[C@H]1CN(CCC#N)CCN1Cc1ccccc1 ZINC000343407337 381692078 /nfs/dbraw/zinc/69/20/78/381692078.db2.gz XBQHRESURLOBMA-KRWDZBQOSA-N 0 3 271.408 2.887 20 30 CFEDHN N#CCc1ccc(CN2CCc3ccccc3[C@H]2CO)cc1 ZINC000343419850 381699358 /nfs/dbraw/zinc/69/93/58/381699358.db2.gz RHJLKWBGMXJRLV-LJQANCHMSA-N 0 3 292.382 2.844 20 30 CFEDHN C[C@@H](NCCc1cccc(C#N)c1)c1ccccn1 ZINC000343506094 381758577 /nfs/dbraw/zinc/75/85/77/381758577.db2.gz GBHOEVXLQYSUFP-CYBMUJFWSA-N 0 3 251.333 2.847 20 30 CFEDHN CC(C)(C)CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000298762394 381740459 /nfs/dbraw/zinc/74/04/59/381740459.db2.gz DOXQNFIWINBAIV-UHFFFAOYSA-N 0 3 272.396 2.511 20 30 CFEDHN C=CC[C@H](CO)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000343496422 381753350 /nfs/dbraw/zinc/75/33/50/381753350.db2.gz FTTWGVVOHWRIEC-PBHICJAKSA-N 0 3 297.402 2.776 20 30 CFEDHN CC(C#N)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000360459315 381781739 /nfs/dbraw/zinc/78/17/39/381781739.db2.gz IHMADGZYGMCDHP-BBBLOLIVSA-N 0 3 262.275 2.631 20 30 CFEDHN CN(C)C[C@H]1CCCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000355549310 381782371 /nfs/dbraw/zinc/78/23/71/381782371.db2.gz VOXHKBQSZBUTPC-DLBZAZTESA-N 0 3 299.418 2.627 20 30 CFEDHN C=CCOCCCN1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000343540797 381784729 /nfs/dbraw/zinc/78/47/29/381784729.db2.gz GNTLLBNVYLPIQN-HOTGVXAUSA-N 0 3 279.355 2.526 20 30 CFEDHN C=CCCC1(C(=O)N(C)CC2CCN(C)CC2)CC1 ZINC000355659257 381790757 /nfs/dbraw/zinc/79/07/57/381790757.db2.gz MDGSJZJBLLTRJM-UHFFFAOYSA-N 0 3 264.413 2.533 20 30 CFEDHN CN(CCN1CCCC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000355672084 381793611 /nfs/dbraw/zinc/79/36/11/381793611.db2.gz JUKZDOITOQWSNG-KRWDZBQOSA-N 0 3 299.418 2.628 20 30 CFEDHN CC#CCCNCc1cc(OC)ccc1OC(F)F ZINC000360969369 381798215 /nfs/dbraw/zinc/79/82/15/381798215.db2.gz RUDUGQZANJDKEQ-UHFFFAOYSA-N 0 3 269.291 2.800 20 30 CFEDHN Cc1ccnc(N2CCN(C3CCC(C)CC3)CC2)c1C#N ZINC000343510515 381762232 /nfs/dbraw/zinc/76/22/32/381762232.db2.gz MDUOFQDTGGKYLT-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN C=CCCCN(C)Cc1cc2c(cc1OC)OCO2 ZINC000355358711 381763272 /nfs/dbraw/zinc/76/32/72/381763272.db2.gz QGDPJSYAIGVFAW-UHFFFAOYSA-N 0 3 263.337 2.822 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000360123084 381766649 /nfs/dbraw/zinc/76/66/49/381766649.db2.gz FYVIWZRJTAQQTR-OLZOCXBDSA-N 0 3 274.364 2.634 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)C1CCN(C)CC1 ZINC000360156263 381768044 /nfs/dbraw/zinc/76/80/44/381768044.db2.gz PEXTYMUEXJMEGB-UHFFFAOYSA-N 0 3 278.421 2.605 20 30 CFEDHN C=CCN(CCc1ccco1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000298917534 381779736 /nfs/dbraw/zinc/77/97/36/381779736.db2.gz NHPQEPQHLCMRIK-ROUUACIJSA-N 0 3 283.371 2.968 20 30 CFEDHN CC(C#N)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000360459316 381781055 /nfs/dbraw/zinc/78/10/55/381781055.db2.gz IHMADGZYGMCDHP-KXUCPTDWSA-N 0 3 262.275 2.631 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(CC)C[C@H](C)CC ZINC000361345536 381821742 /nfs/dbraw/zinc/82/17/42/381821742.db2.gz JCKFNUKWJRXYMY-CQSZACIVSA-N 0 3 252.402 2.555 20 30 CFEDHN COCC1(C#N)CCN([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361378474 381824132 /nfs/dbraw/zinc/82/41/32/381824132.db2.gz RDEDZKCSBMCBAH-HOTGVXAUSA-N 0 3 270.376 2.795 20 30 CFEDHN CCN(CC1CCC1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361481880 381835928 /nfs/dbraw/zinc/83/59/28/381835928.db2.gz RTZYYVPVACUWJY-CQSZACIVSA-N 0 3 291.439 2.840 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](C(C)(C)C)C1 ZINC000361550509 381841634 /nfs/dbraw/zinc/84/16/34/381841634.db2.gz RPOPYGKAEDEFST-KGLIPLIRSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCCOCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186186348 381845481 /nfs/dbraw/zinc/84/54/81/381845481.db2.gz ZLIPMBJJPCLPDT-NSHDSACASA-N 0 3 253.317 2.775 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](C(C)(C)C)C1 ZINC000361547121 381843113 /nfs/dbraw/zinc/84/31/13/381843113.db2.gz DUGVQEMGBPOMAP-KGLIPLIRSA-N 0 3 279.428 2.505 20 30 CFEDHN CC#CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000361220597 381810833 /nfs/dbraw/zinc/81/08/33/381810833.db2.gz NENWOQKBIANDSA-KRWDZBQOSA-N 0 3 299.418 2.536 20 30 CFEDHN CN1CCC[C@@]2(CCN(c3nc(Cl)c(C#N)s3)C2)C1 ZINC000292657385 381816322 /nfs/dbraw/zinc/81/63/22/381816322.db2.gz CFJATCVOEJQENH-CYBMUJFWSA-N 0 3 296.827 2.590 20 30 CFEDHN COCC1(CCNCc2ccc(C#N)cc2F)CCC1 ZINC000292891693 381887639 /nfs/dbraw/zinc/88/76/39/381887639.db2.gz FVJJYKFWPMQUDY-UHFFFAOYSA-N 0 3 276.355 2.994 20 30 CFEDHN N#CCCCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361571176 381847508 /nfs/dbraw/zinc/84/75/08/381847508.db2.gz ZZGRGBPCYKMNNX-UHFFFAOYSA-N 0 3 256.349 2.933 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000361641289 381853625 /nfs/dbraw/zinc/85/36/25/381853625.db2.gz YKHYEWIXZJYACB-SOUVJXGZSA-N 0 3 296.480 2.627 20 30 CFEDHN N#Cc1cc(CN2CC[C@H](O)C23CCCC3)ccc1F ZINC000292844257 381861053 /nfs/dbraw/zinc/86/10/53/381861053.db2.gz VCMBYQDPMTVEPB-HNNXBMFYSA-N 0 3 274.339 2.577 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc(C#N)cs1 ZINC000186263673 381867347 /nfs/dbraw/zinc/86/73/47/381867347.db2.gz MNUMMRDHDYQWNR-LBPRGKRZSA-N 0 3 291.420 2.614 20 30 CFEDHN C(#Cc1ccccc1)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000361862342 381868161 /nfs/dbraw/zinc/86/81/61/381868161.db2.gz MYMMPBTWQXVQLU-QZTJIDSGSA-N 0 3 269.388 2.787 20 30 CFEDHN C=C(C)CN(CC)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415886394 381868951 /nfs/dbraw/zinc/86/89/51/381868951.db2.gz UVBHVUKSMQHHPS-UHFFFAOYSA-N 0 3 273.380 2.762 20 30 CFEDHN C=CCCCCNC(=O)Nc1cccc(CNC)c1 ZINC000415931536 381870935 /nfs/dbraw/zinc/87/09/35/381870935.db2.gz LYVLARAWANSLKK-UHFFFAOYSA-N 0 3 261.369 2.884 20 30 CFEDHN CNCc1cccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000415933077 381871004 /nfs/dbraw/zinc/87/10/04/381871004.db2.gz OYMPSYGHVQEDBI-WFASDCNBSA-N 0 3 286.379 2.610 20 30 CFEDHN C=CCN(C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415955712 381871669 /nfs/dbraw/zinc/87/16/69/381871669.db2.gz QHTQCNZPTCUJLI-UHFFFAOYSA-N 0 3 287.285 2.814 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cc(OC)ccc1F ZINC000292938153 381913341 /nfs/dbraw/zinc/91/33/41/381913341.db2.gz BXWYASBGHPBNKL-WBMJQRKESA-N 0 3 279.355 2.905 20 30 CFEDHN CC(C)NC(=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362107227 381914066 /nfs/dbraw/zinc/91/40/66/381914066.db2.gz UCVUPVTYMZBNEJ-UHFFFAOYSA-N 0 3 297.402 2.562 20 30 CFEDHN C=CCCC(=O)Nc1ccc(OCCN(C)C)c(OC)c1 ZINC000416338543 381888001 /nfs/dbraw/zinc/88/80/01/381888001.db2.gz DQWJWCPVSCBJDA-UHFFFAOYSA-N 0 3 292.379 2.540 20 30 CFEDHN C#CCN(C)CCCNc1nc(C(F)(F)F)cs1 ZINC000292898599 381891753 /nfs/dbraw/zinc/89/17/53/381891753.db2.gz WNEUSAPJHOASJJ-UHFFFAOYSA-N 0 3 277.315 2.529 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186369574 381893060 /nfs/dbraw/zinc/89/30/60/381893060.db2.gz IDJBLACYNVSUTN-HZPDHXFCSA-N 0 3 296.455 2.594 20 30 CFEDHN CCN(CC(=O)NCc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000299460835 381951085 /nfs/dbraw/zinc/95/10/85/381951085.db2.gz ZIQGHIRMJNFQMC-CQSZACIVSA-N 0 3 287.407 2.541 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000362301660 381999626 /nfs/dbraw/zinc/99/96/26/381999626.db2.gz TUDISLUGTPLENL-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000349805364 381990308 /nfs/dbraw/zinc/99/03/08/381990308.db2.gz VMKYSKWNXAVULH-GXTWGEPZSA-N 0 3 284.338 2.793 20 30 CFEDHN N#C[C@H]1CC[C@@H](NCc2cnn(Cc3ccccc3)c2)C1 ZINC000349801591 381990638 /nfs/dbraw/zinc/99/06/38/381990638.db2.gz MFKMHIBQZVIIJS-DOTOQJQBSA-N 0 3 280.375 2.713 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000186716454 381991963 /nfs/dbraw/zinc/99/19/63/381991963.db2.gz JYBPWOHZADAHRU-QWHCGFSZSA-N 0 3 279.380 2.600 20 30 CFEDHN Cc1nn(-c2ccccc2)cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000349814744 381993554 /nfs/dbraw/zinc/99/35/54/381993554.db2.gz WBSSHAHNUGDUQY-HOCLYGCPSA-N 0 3 280.375 2.963 20 30 CFEDHN C[C@@H]1CC[C@H]1NC(=O)C(C#N)CCc1ccccc1 ZINC000343969288 382041280 /nfs/dbraw/zinc/04/12/80/382041280.db2.gz VGYJRXMLMKRHEI-VHDGCEQUSA-N 0 3 256.349 2.674 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000374322827 382044357 /nfs/dbraw/zinc/04/43/57/382044357.db2.gz XGCXWWUYNYAQJI-CQSZACIVSA-N 0 3 286.375 2.732 20 30 CFEDHN C=CCCCCNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000351637329 382050741 /nfs/dbraw/zinc/05/07/41/382050741.db2.gz GLIWZXDAPGVUOT-CABCVRRESA-N 0 3 281.444 2.762 20 30 CFEDHN C=CCCCCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000351683944 382055075 /nfs/dbraw/zinc/05/50/75/382055075.db2.gz GLXNDOKNPIHKPI-HUUCEWRRSA-N 0 3 281.444 2.905 20 30 CFEDHN CC#CCN[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000374773134 382056247 /nfs/dbraw/zinc/05/62/47/382056247.db2.gz BUZALYVNJUNHII-MSOLQXFVSA-N 0 3 284.403 2.586 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1CCC(C)(CC(C)C)CC1 ZINC000343999255 382057744 /nfs/dbraw/zinc/05/77/44/382057744.db2.gz VZFAIXVVCRCEHO-AWEZNQCLSA-N 0 3 266.429 2.825 20 30 CFEDHN C=C(C)CCN[C@H](c1nnc2ccccn21)C(C)C ZINC000351731292 382059015 /nfs/dbraw/zinc/05/90/15/382059015.db2.gz UZOFQGAARFYDDJ-AWEZNQCLSA-N 0 3 258.369 2.982 20 30 CFEDHN C=C(C)CCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000351750772 382060262 /nfs/dbraw/zinc/06/02/62/382060262.db2.gz AXJOHGBQWRIRRW-CQSZACIVSA-N 0 3 266.772 2.596 20 30 CFEDHN CC(C)(CCC#N)C[NH2+][C@@H](c1nnc[n-]1)c1ccccc1 ZINC000344001923 382060326 /nfs/dbraw/zinc/06/03/26/382060326.db2.gz BXIHTOJIIHGREN-CQSZACIVSA-N 0 3 283.379 2.814 20 30 CFEDHN CC(C)(CCC#N)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000344001923 382060332 /nfs/dbraw/zinc/06/03/32/382060332.db2.gz BXIHTOJIIHGREN-CQSZACIVSA-N 0 3 283.379 2.814 20 30 CFEDHN C=C(C)CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000351842858 382065059 /nfs/dbraw/zinc/06/50/59/382065059.db2.gz AGYJFAYBZRCQQH-UHFFFAOYSA-N 0 3 269.392 2.642 20 30 CFEDHN C=CCn1c(C(C)C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000351072409 382022987 /nfs/dbraw/zinc/02/29/87/382022987.db2.gz HCNOYNJBUGBNLY-KGLIPLIRSA-N 0 3 291.443 2.506 20 30 CFEDHN C#C[C@H](C)N(C)CCC(=O)Nc1cccc(Cl)c1 ZINC000491773792 262029472 /nfs/dbraw/zinc/02/94/72/262029472.db2.gz CNODLFZPBKXPQB-NSHDSACASA-N 0 3 264.756 2.622 20 30 CFEDHN CCCN1CCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000343948576 382033538 /nfs/dbraw/zinc/03/35/38/382033538.db2.gz IEMZPEYBOZUFHL-GFCCVEGCSA-N 0 3 278.787 2.893 20 30 CFEDHN C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC(C)(C)C1 ZINC000344067480 382104445 /nfs/dbraw/zinc/10/44/45/382104445.db2.gz PMSQNOKHXVUIDU-AWEZNQCLSA-N 0 3 299.418 2.542 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000344068291 382106778 /nfs/dbraw/zinc/10/67/78/382106778.db2.gz QKTVAGLCSGWBDH-OAHLLOKOSA-N 0 3 264.413 2.533 20 30 CFEDHN C=CCC(CC=C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375964628 382113483 /nfs/dbraw/zinc/11/34/83/382113483.db2.gz OKXZUHVDTASASL-KRWDZBQOSA-N 0 3 284.403 2.758 20 30 CFEDHN CC[C@H]1CN(CC(C)(C)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000376030542 382116262 /nfs/dbraw/zinc/11/62/62/382116262.db2.gz SLAHTXGBBFOLQM-DOTOQJQBSA-N 0 3 294.439 2.976 20 30 CFEDHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@@H](C2CC2)O1 ZINC000376019250 382117690 /nfs/dbraw/zinc/11/76/90/382117690.db2.gz OEDAYVKSCPDBRM-JSGCOSHPSA-N 0 3 250.386 2.816 20 30 CFEDHN CC1CCC(N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000301247378 382120463 /nfs/dbraw/zinc/12/04/63/382120463.db2.gz BCAYXIAFIQKQER-UHFFFAOYSA-N 0 3 284.407 2.654 20 30 CFEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C2CC2)C1 ZINC000344089491 382122719 /nfs/dbraw/zinc/12/27/19/382122719.db2.gz JGEPUKLPRIKOQQ-UNEWFSDZSA-N 0 3 291.439 2.551 20 30 CFEDHN C#CCCN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000376176991 382122883 /nfs/dbraw/zinc/12/28/83/382122883.db2.gz DOOONYQTRMGXPC-HNNXBMFYSA-N 0 3 280.375 2.674 20 30 CFEDHN Cc1nc(CO[C@@H]2CCN(CCCCC#N)C2)cs1 ZINC000375396651 382084575 /nfs/dbraw/zinc/08/45/75/382084575.db2.gz WNVVXLBSKRIFLS-CQSZACIVSA-N 0 3 279.409 2.736 20 30 CFEDHN C(#Cc1ccccc1)CN1CC[C@@H](C2CCOCC2)C1 ZINC000375457001 382086223 /nfs/dbraw/zinc/08/62/23/382086223.db2.gz HZRZFSVFOHKSRA-GOSISDBHSA-N 0 3 269.388 2.787 20 30 CFEDHN N#Cc1ccc(N2CCN(c3ccncc3)CC2)cc1Cl ZINC000301284954 382137539 /nfs/dbraw/zinc/13/75/39/382137539.db2.gz YVUOSBKNVUNUTA-UHFFFAOYSA-N 0 3 298.777 2.933 20 30 CFEDHN CC(C#N)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000344118824 382140256 /nfs/dbraw/zinc/14/02/56/382140256.db2.gz AGHSYUXWPZLZLY-YUELXQCFSA-N 0 3 256.349 2.989 20 30 CFEDHN C=CCCCN(C)C(=O)NC[C@H](N)c1ccccc1CC ZINC000418660756 382170457 /nfs/dbraw/zinc/17/04/57/382170457.db2.gz ZHDFEAPBGWNTED-INIZCTEOSA-N 0 3 289.423 2.856 20 30 CFEDHN CC[C@@]1(C)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344214528 382203787 /nfs/dbraw/zinc/20/37/87/382203787.db2.gz IRQNBXHUPDSDFH-AEFFLSMTSA-N 0 3 297.402 2.786 20 30 CFEDHN C=CCC[C@@H](O)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000344232270 382217214 /nfs/dbraw/zinc/21/72/14/382217214.db2.gz QSXRFGUQOZEUIE-CABCVRRESA-N 0 3 283.799 2.944 20 30 CFEDHN C=CC[C@@H](C(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000187634648 382232605 /nfs/dbraw/zinc/23/26/05/382232605.db2.gz WFHXQNFISPMATE-QGZVFWFLSA-N 0 3 286.419 2.899 20 30 CFEDHN COc1ccc(CNc2nc3ccc(F)cc3[nH]2)cc1C#N ZINC000362647654 382187302 /nfs/dbraw/zinc/18/73/02/382187302.db2.gz DRDZMWNZUJYUOO-UHFFFAOYSA-N 0 3 296.305 2.616 20 30 CFEDHN C=CCC(C)(C)CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419178317 382235711 /nfs/dbraw/zinc/23/57/11/382235711.db2.gz FTAKNMXMONTEIU-CQSZACIVSA-N 0 3 294.826 2.928 20 30 CFEDHN COCCCC[C@@H](NC(=O)C(C)C#N)c1ccccc1 ZINC000352361575 382290685 /nfs/dbraw/zinc/29/06/85/382290685.db2.gz RUUMGCIGJLDNFA-UKRRQHHQSA-N 0 3 274.364 2.820 20 30 CFEDHN CC(C)[C@@H](N[C@H](C)C(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000345795530 382313075 /nfs/dbraw/zinc/31/30/75/382313075.db2.gz UXDYMAJVLRZUNL-GDBMZVCRSA-N 0 3 299.418 2.924 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCOc1cccc(Cl)c1 ZINC000345790006 382313179 /nfs/dbraw/zinc/31/31/79/382313179.db2.gz SSHKQVGBKHDVOY-LLVKDONJSA-N 0 3 280.755 2.727 20 30 CFEDHN C[C@@H]1[C@H](C)CN(CC(=O)N(C)C2(C#N)CCCCC2)[C@H]1C ZINC000419391672 382314572 /nfs/dbraw/zinc/31/45/72/382314572.db2.gz JYRLCUPDDXRQFK-KFWWJZLASA-N 0 3 291.439 2.648 20 30 CFEDHN C=C(C)CCN1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000352413112 382317701 /nfs/dbraw/zinc/31/77/01/382317701.db2.gz LVUGUCWXPJCULH-ZWKOTPCHSA-N 0 3 286.419 2.538 20 30 CFEDHN COCCN(Cc1ccc(F)cc1Cl)C(=O)C(C)C#N ZINC000345865701 382318711 /nfs/dbraw/zinc/31/87/11/382318711.db2.gz UEQZJHGRNBXLJH-JTQLQIEISA-N 0 3 298.745 2.614 20 30 CFEDHN Cc1cccc([C@H](NC(=O)C(C)C#N)c2ccccn2)c1 ZINC000345937056 382323641 /nfs/dbraw/zinc/32/36/41/382323641.db2.gz VGORXOYZTCBJOD-CJNGLKHVSA-N 0 3 279.343 2.755 20 30 CFEDHN CN(C)C(=O)C[C@H](NCCC(C)(C)C#N)c1ccccc1 ZINC000345968944 382325239 /nfs/dbraw/zinc/32/52/39/382325239.db2.gz JGBJQYITJXESET-HNNXBMFYSA-N 0 3 287.407 2.735 20 30 CFEDHN C[C@@H]1CC[C@](CO)(N(C)Cc2ccc(C#N)cc2F)C1 ZINC000188019954 382326463 /nfs/dbraw/zinc/32/64/63/382326463.db2.gz IVRRJDWOHDTJEN-WBMJQRKESA-N 0 3 276.355 2.680 20 30 CFEDHN CC(C)C[C@@]1(CO)CCCN1Cc1ccc(C#N)s1 ZINC000188038767 382330927 /nfs/dbraw/zinc/33/09/27/382330927.db2.gz DMDMRZIAZNXCNN-OAHLLOKOSA-N 0 3 278.421 2.993 20 30 CFEDHN C=CCC1(C(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CCC1 ZINC000346172741 382334347 /nfs/dbraw/zinc/33/43/47/382334347.db2.gz CARJTWOROCZRJB-OWCLPIDISA-N 0 3 290.451 2.922 20 30 CFEDHN C#CCN(C)CCCNC(=O)c1ccc2sccc2c1 ZINC000293916857 382336472 /nfs/dbraw/zinc/33/64/72/382336472.db2.gz GLWKZSQMQMTKBC-UHFFFAOYSA-N 0 3 286.400 2.586 20 30 CFEDHN Cc1ccc([C@H](NC(=O)C(C)C#N)c2ccccn2)cc1 ZINC000352453685 382341945 /nfs/dbraw/zinc/34/19/45/382341945.db2.gz HCWHIZGIGMXACZ-BBRMVZONSA-N 0 3 279.343 2.755 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cccc(F)c1F ZINC000345268462 382294417 /nfs/dbraw/zinc/29/44/17/382294417.db2.gz PCXMVLWXMIYCHK-WDEREUQCSA-N 0 3 255.308 2.800 20 30 CFEDHN CCC[C@]1(CO)CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000377578166 382296240 /nfs/dbraw/zinc/29/62/40/382296240.db2.gz AOGFFJPFMJUQHS-KRWDZBQOSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CC[C@H](CO)NCc1ccccc1OCc1ccncc1 ZINC000680484109 542330634 /nfs/dbraw/zinc/33/06/34/542330634.db2.gz FVKKTZZVEIKSOJ-QGZVFWFLSA-N 0 3 298.386 2.687 20 30 CFEDHN Cn1cc(CN2CCC([C@@H]3CCCOC3)CC2)cc1C#N ZINC000365256911 382366958 /nfs/dbraw/zinc/36/69/58/382366958.db2.gz PXRNQGQIOJILEI-MRXNPFEDSA-N 0 3 287.407 2.535 20 30 CFEDHN CC[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C)cc1 ZINC000346493540 382384196 /nfs/dbraw/zinc/38/41/96/382384196.db2.gz KFPWEGIKEQTUGN-GOEBONIOSA-N 0 3 299.418 2.987 20 30 CFEDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(C#N)o2)C1 ZINC000304358273 382398492 /nfs/dbraw/zinc/39/84/92/382398492.db2.gz XDALSBYNAIKKPX-LRDDRELGSA-N 0 3 276.380 2.818 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000358084250 382443662 /nfs/dbraw/zinc/44/36/62/382443662.db2.gz DSYDUUUFWAVBSG-KWQFWETISA-N 0 3 297.280 2.622 20 30 CFEDHN CCN1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000307897262 382471085 /nfs/dbraw/zinc/47/10/85/382471085.db2.gz NALOVFYAAZJSKK-UHFFFAOYSA-N 0 3 277.799 2.739 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000365850214 382453802 /nfs/dbraw/zinc/45/38/02/382453802.db2.gz WDPLGYYQMLPHAS-GDBMZVCRSA-N 0 3 296.374 2.621 20 30 CFEDHN C#C[C@@H](C)N(C)Cc1ccc(OC)c(COCC)c1 ZINC000491787808 262051994 /nfs/dbraw/zinc/05/19/94/262051994.db2.gz WTWUKBAXHKOYKI-CYBMUJFWSA-N 0 3 261.365 2.685 20 30 CFEDHN C=CCOCCN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000294212006 382462036 /nfs/dbraw/zinc/46/20/36/382462036.db2.gz RWQTYZYUFHEPOE-LSDHHAIUSA-N 0 3 283.318 2.587 20 30 CFEDHN CCOC[C@@H](NCc1ccc(C#N)s1)C(C)C ZINC000188865607 382494171 /nfs/dbraw/zinc/49/41/71/382494171.db2.gz IVLWDHFFRIUGNH-CYBMUJFWSA-N 0 3 252.383 2.770 20 30 CFEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H]1CCOC1 ZINC000352901811 382480938 /nfs/dbraw/zinc/48/09/38/382480938.db2.gz LCCQLGNUJYTCDG-HNNXBMFYSA-N 0 3 277.412 2.879 20 30 CFEDHN C=CCOc1ccccc1CN1CCN2CCCC[C@H]2C1 ZINC000352977549 382486357 /nfs/dbraw/zinc/48/63/57/382486357.db2.gz QNQFRCZGQNGLSO-KRWDZBQOSA-N 0 3 286.419 2.922 20 30 CFEDHN CC[C@H](C)[C@@H](CNCc1ccc(OC)c(C#N)c1)OC ZINC000294273187 382489050 /nfs/dbraw/zinc/48/90/50/382489050.db2.gz RYJBBALDIUOZGA-BLLLJJGKSA-N 0 3 276.380 2.718 20 30 CFEDHN CC1=CCN(CCN[C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000358239132 382520271 /nfs/dbraw/zinc/52/02/71/382520271.db2.gz OYCCYLPZNHCXGV-AWEZNQCLSA-N 0 3 287.382 3.000 20 30 CFEDHN CC(C)(C)OC(=O)N1CC[C@H]2CN(CCCC#N)CC[C@@H]21 ZINC000366537450 382526545 /nfs/dbraw/zinc/52/65/45/382526545.db2.gz XYLSJPWJTKSORX-KBPBESRZSA-N 0 3 293.411 2.621 20 30 CFEDHN CSC[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000310919283 382499297 /nfs/dbraw/zinc/49/92/97/382499297.db2.gz FRZUEVHGWYOZJU-ZDUSSCGKSA-N 0 3 261.394 2.528 20 30 CFEDHN C=C(C)[C@H](NC[C@@H](O)CSC)c1ccc(F)c(F)c1 ZINC000188891163 382499654 /nfs/dbraw/zinc/49/96/54/382499654.db2.gz ISJDLZKPBURZPE-RISCZKNCSA-N 0 3 287.375 2.896 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCC3(CC3)CC2)cc1 ZINC000366375632 382500423 /nfs/dbraw/zinc/50/04/23/382500423.db2.gz KTUSNDSRTHCECO-INIZCTEOSA-N 0 3 293.370 2.643 20 30 CFEDHN C[C@H]1C[C@H](CO)CN(CC#Cc2cccc(Cl)c2)C1 ZINC000420936836 382501670 /nfs/dbraw/zinc/50/16/70/382501670.db2.gz IYYZGWHIFDAWES-ZFWWWQNUSA-N 0 3 277.795 2.642 20 30 CFEDHN COc1cc(CN2CCC[C@H](CCO)CC2)ccc1C#N ZINC000421401249 382517821 /nfs/dbraw/zinc/51/78/21/382517821.db2.gz UBAVJAWGZJNSJJ-AWEZNQCLSA-N 0 3 288.391 2.551 20 30 CFEDHN C=CCCN(C)Cc1ccnc(Br)c1 ZINC000294658070 382518888 /nfs/dbraw/zinc/51/88/88/382518888.db2.gz RBOVFYBHXANIRS-UHFFFAOYSA-N 0 3 255.159 2.852 20 30 CFEDHN C=CCC[C@@H](CO)NCc1nc2ccccc2n1CCC ZINC000320629363 382538604 /nfs/dbraw/zinc/53/86/04/382538604.db2.gz KAYQUQGBMIPDPH-AWEZNQCLSA-N 0 3 287.407 2.863 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc2c(c1)COC2 ZINC000358287897 382548964 /nfs/dbraw/zinc/54/89/64/382548964.db2.gz MPZLNIHPKCNEBQ-CYBMUJFWSA-N 0 3 261.365 2.960 20 30 CFEDHN C[C@@H](NCC[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000346864222 382550458 /nfs/dbraw/zinc/55/04/58/382550458.db2.gz MJKBXCNBGVAORH-VXGBXAGGSA-N 0 3 262.328 2.775 20 30 CFEDHN N#Cc1ccc(CN2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189133309 382550844 /nfs/dbraw/zinc/55/08/44/382550844.db2.gz LLVFUNINOCZAFR-KRWDZBQOSA-N 0 3 270.376 2.949 20 30 CFEDHN CCOC(=O)CC(C)(C)CCN(CC)C[C@@H](C)C#N ZINC000346869984 382552888 /nfs/dbraw/zinc/55/28/88/382552888.db2.gz KQACZUMKYGOXNX-ZDUSSCGKSA-N 0 3 268.401 2.837 20 30 CFEDHN C=CCC[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccco1 ZINC000367589972 382576590 /nfs/dbraw/zinc/57/65/90/382576590.db2.gz RSWOFGOXFZURSJ-PMPSAXMXSA-N 0 3 290.407 2.740 20 30 CFEDHN C=C[C@H](C)N[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000358298894 382555407 /nfs/dbraw/zinc/55/54/07/382555407.db2.gz MJGWDOCSCYVHPF-ZFWWWQNUSA-N 0 3 290.407 2.769 20 30 CFEDHN C[C@@H](N[C@@H](C)CCCCO)c1ccc(C#N)cc1F ZINC000346884044 382559556 /nfs/dbraw/zinc/55/95/56/382559556.db2.gz QBFGPJUNAXAXPL-NWDGAFQWSA-N 0 3 264.344 2.899 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCN1CCC ZINC000358308919 382560655 /nfs/dbraw/zinc/56/06/55/382560655.db2.gz HQWBJCASDXGFMQ-LSDHHAIUSA-N 0 3 279.428 2.611 20 30 CFEDHN C=C(C)CN(C)C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000367393795 382567860 /nfs/dbraw/zinc/56/78/60/382567860.db2.gz GXWHAKMQZJAOTB-HNNXBMFYSA-N 0 3 264.413 2.818 20 30 CFEDHN N#Cc1ccc2c(c1)[C@@H](NCCOC(F)(F)F)CC2 ZINC000353592378 382568587 /nfs/dbraw/zinc/56/85/87/382568587.db2.gz ANNGNDQNERFLQX-LBPRGKRZSA-N 0 3 270.254 2.672 20 30 CFEDHN C#Cc1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000294810152 382529607 /nfs/dbraw/zinc/52/96/07/382529607.db2.gz NRVSNEFUQSQVFI-QGZVFWFLSA-N 0 3 298.430 2.782 20 30 CFEDHN Cc1ccc(C#N)c(NC[C@H](C)N2CCCC[C@H]2C)n1 ZINC000346822803 382530463 /nfs/dbraw/zinc/53/04/63/382530463.db2.gz FHXSEQZZJYGIDI-KGLIPLIRSA-N 0 3 272.396 2.937 20 30 CFEDHN N#Cc1csc(CN[C@@H](CO)C2CCCCC2)c1 ZINC000386372049 382588444 /nfs/dbraw/zinc/58/84/44/382588444.db2.gz QBORRZFQJXAOGR-AWEZNQCLSA-N 0 3 264.394 2.651 20 30 CFEDHN C=CC[C@H](C(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000189494557 382616454 /nfs/dbraw/zinc/61/64/54/382616454.db2.gz VOUBGUHLFYWPQM-CVEARBPZSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CCCC[C@@H]1SCC ZINC000189501937 382617022 /nfs/dbraw/zinc/61/70/22/382617022.db2.gz QKECYFXMKXAESG-CABCVRRESA-N 0 3 296.480 2.841 20 30 CFEDHN Cc1cc(CN(C)C[C@H](O)Cc2ccccc2)ccc1C#N ZINC000353753086 382626779 /nfs/dbraw/zinc/62/67/79/382626779.db2.gz VHBRZQZPINLWCC-LJQANCHMSA-N 0 3 294.398 2.902 20 30 CFEDHN CN(C)C1(CNc2ccc(Br)cc2C#N)CC1 ZINC000397879972 382634642 /nfs/dbraw/zinc/63/46/42/382634642.db2.gz YAGLQQPWBLUDRW-UHFFFAOYSA-N 0 3 294.196 2.827 20 30 CFEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)COC ZINC000189826214 382642016 /nfs/dbraw/zinc/64/20/16/382642016.db2.gz YSDVMVDLPQDCCO-CYBMUJFWSA-N 0 3 278.352 2.865 20 30 CFEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)C1CCCCC1 ZINC000191297210 382697997 /nfs/dbraw/zinc/69/79/97/382697997.db2.gz GAYYIZZTBKLAQJ-KRWDZBQOSA-N 0 3 272.392 2.931 20 30 CFEDHN C#CCSCCN[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191371416 382699395 /nfs/dbraw/zinc/69/93/95/382699395.db2.gz OOTSJIIQEFIRPS-GFCCVEGCSA-N 0 3 279.453 2.964 20 30 CFEDHN Cn1ccnc1C[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192136448 382704999 /nfs/dbraw/zinc/70/49/99/382704999.db2.gz UWHWOBWZRXBXBS-SFHVURJKSA-N 0 3 293.414 2.726 20 30 CFEDHN C#CCCCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000192365121 382707785 /nfs/dbraw/zinc/70/77/85/382707785.db2.gz MSXBSKSPUGEJOC-SFHVURJKSA-N 0 3 298.430 2.913 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000192761900 382711944 /nfs/dbraw/zinc/71/19/44/382711944.db2.gz SVRSQPQXGHQSSC-GOEBONIOSA-N 0 3 297.402 2.638 20 30 CFEDHN CC(C)(C)[C@@H](CO)NCC#Cc1cccc(Cl)c1 ZINC000193113722 382715932 /nfs/dbraw/zinc/71/59/32/382715932.db2.gz YNEZECWQKDWCNQ-CQSZACIVSA-N 0 3 265.784 2.688 20 30 CFEDHN CC(C)N(CC(=O)NC1(C#N)CCCCC1)CC1CCC1 ZINC000193208119 382716868 /nfs/dbraw/zinc/71/68/68/382716868.db2.gz NHAOPAXZYGJGNC-UHFFFAOYSA-N 0 3 291.439 2.840 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CC1CCC1)C(C)C ZINC000193217804 382716979 /nfs/dbraw/zinc/71/69/79/382716979.db2.gz NYVMOCTZWRCVPN-UHFFFAOYSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000193365601 382719192 /nfs/dbraw/zinc/71/91/92/382719192.db2.gz YBEIBXZPJQIHEW-UHFFFAOYSA-N 0 3 294.782 2.882 20 30 CFEDHN C=CCNC(=O)[C@H](C)SCCN(C)Cc1ccccc1 ZINC000193637516 382721913 /nfs/dbraw/zinc/72/19/13/382721913.db2.gz HZJUXRRCHHCOAP-AWEZNQCLSA-N 0 3 292.448 2.542 20 30 CFEDHN C[C@@H](NCc1ccc(C#N)cn1)[C@H]1COc2ccccc21 ZINC000575114098 382727136 /nfs/dbraw/zinc/72/71/36/382727136.db2.gz XCEFWDAMIZJJND-MLGOLLRUSA-N 0 3 279.343 2.608 20 30 CFEDHN C=CCN1CC[C@H](N(CC2CCCCC2)C2CC2)C1=O ZINC000337133553 382765328 /nfs/dbraw/zinc/76/53/28/382765328.db2.gz KYYSFWHIJNFNAX-INIZCTEOSA-N 0 3 276.424 2.818 20 30 CFEDHN C=CCN1CC[C@H](N(C)[C@@H](C)Cc2ccc(C)cc2)C1=O ZINC000337132188 382765642 /nfs/dbraw/zinc/76/56/42/382765642.db2.gz AIHAUDXYRLGSMC-RDJZCZTQSA-N 0 3 286.419 2.645 20 30 CFEDHN C=CCN1CC[C@H](N2CCC[C@H]2CCc2ccccc2)C1=O ZINC000337136236 382766055 /nfs/dbraw/zinc/76/60/55/382766055.db2.gz NALLVBKZEGSGDW-ROUUACIJSA-N 0 3 298.430 2.871 20 30 CFEDHN CC(C)(C)CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000337138301 382766391 /nfs/dbraw/zinc/76/63/91/382766391.db2.gz OWFXYEDERUAGFC-UHFFFAOYSA-N 0 3 286.423 2.902 20 30 CFEDHN CC[C@@H]1CO[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337143858 382767401 /nfs/dbraw/zinc/76/74/01/382767401.db2.gz VUIXHBALIUCVDL-LSDHHAIUSA-N 0 3 280.412 2.586 20 30 CFEDHN CC[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000337193754 382774163 /nfs/dbraw/zinc/77/41/63/382774163.db2.gz UVDORGGZTALWSM-CABCVRRESA-N 0 3 280.412 2.586 20 30 CFEDHN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)[C@H](C)O1 ZINC000337200463 382775672 /nfs/dbraw/zinc/77/56/72/382775672.db2.gz FDLYMSRGPVZVMY-ILXRZTDVSA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3cc(C)cc(C)c3)C2)C1=O ZINC000337205623 382776617 /nfs/dbraw/zinc/77/66/17/382776617.db2.gz KYOUVKGMUMBNPX-AEFFLSMTSA-N 0 3 298.430 2.880 20 30 CFEDHN C=CCN1CC[C@H](N[C@@H](CC)c2cccs2)C1=O ZINC000337214378 382778860 /nfs/dbraw/zinc/77/88/60/382778860.db2.gz XJZOEVSXLZXEIL-RYUDHWBXSA-N 0 3 264.394 2.576 20 30 CFEDHN CCN(CCNc1nc(Cl)c(C#N)s1)C1CC1 ZINC000219981899 382794867 /nfs/dbraw/zinc/79/48/67/382794867.db2.gz YPAWYWJHLGAKMV-UHFFFAOYSA-N 0 3 270.789 2.564 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@@H](c3ccc(C)cc3C)C2)C1=O ZINC000337233024 382781792 /nfs/dbraw/zinc/78/17/92/382781792.db2.gz KBJMMTVONFYKIK-AEFFLSMTSA-N 0 3 298.430 2.880 20 30 CFEDHN Cc1ccncc1CN(C)CCCC1(C#N)CCOCC1 ZINC000337251409 382786089 /nfs/dbraw/zinc/78/60/89/382786089.db2.gz QZKGKGBGZOZIAM-UHFFFAOYSA-N 0 3 287.407 2.922 20 30 CFEDHN Cn1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)cc1C#N ZINC000337276990 382792148 /nfs/dbraw/zinc/79/21/48/382792148.db2.gz FHWQPKXMZLBSBZ-CHWSQXEVSA-N 0 3 283.322 2.537 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@H](O)c1ccsc1 ZINC000219095542 382792458 /nfs/dbraw/zinc/79/24/58/382792458.db2.gz MRQMCPRLBSQDCO-OAHLLOKOSA-N 0 3 287.384 2.583 20 30 CFEDHN O[C@@H]1CCC[C@H]1[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000228486204 382847099 /nfs/dbraw/zinc/84/70/99/382847099.db2.gz JJNLNOPTCMETGD-OKZBNKHCSA-N 0 3 269.388 2.664 20 30 CFEDHN CCC[C@H](C)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000337334433 382804209 /nfs/dbraw/zinc/80/42/09/382804209.db2.gz KGTOXFITMWIMQT-HNNXBMFYSA-N 0 3 271.408 2.864 20 30 CFEDHN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC1(C)C)C(C)C ZINC000337375501 382811554 /nfs/dbraw/zinc/81/15/54/382811554.db2.gz GLGUKEUBZZROLY-HUUCEWRRSA-N 0 3 278.440 2.847 20 30 CFEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000576180051 382813471 /nfs/dbraw/zinc/81/34/71/382813471.db2.gz MRJFZWIKBNOHIL-OKILXGFUSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CC[C@H](CO)N[C@H](C)c1cnn(C2CCCC2)c1 ZINC000337460090 382824567 /nfs/dbraw/zinc/82/45/67/382824567.db2.gz KBKILJPEFHZSHY-TZMCWYRMSA-N 0 3 263.385 2.586 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)C1CC1)C(C)C ZINC000337482182 382828842 /nfs/dbraw/zinc/82/88/42/382828842.db2.gz ZPMXYBRDMNZLSN-ZBFHGGJFSA-N 0 3 293.455 2.783 20 30 CFEDHN C=CCS(=O)(=O)CCNC[C@H](c1ccccc1)C(C)C ZINC000280116144 194709351 /nfs/dbraw/zinc/70/93/51/194709351.db2.gz CEJOXDASWBZNEX-INIZCTEOSA-N 0 3 295.448 2.617 20 30 CFEDHN COCCCCCNCc1ccc(C#N)cc1F ZINC000227596730 382838159 /nfs/dbraw/zinc/83/81/59/382838159.db2.gz GOWZVVVMBSYUPZ-UHFFFAOYSA-N 0 3 250.317 2.604 20 30 CFEDHN CC[C@H](CSc1ccccc1)NC(=O)C(C)C#N ZINC000337535338 382838249 /nfs/dbraw/zinc/83/82/49/382838249.db2.gz MOOHKNGPYYJXAC-VXGBXAGGSA-N 0 3 262.378 2.833 20 30 CFEDHN CC[C@@H](CSc1ccccc1)NC(=O)C(C)C#N ZINC000337535335 382838325 /nfs/dbraw/zinc/83/83/25/382838325.db2.gz MOOHKNGPYYJXAC-RYUDHWBXSA-N 0 3 262.378 2.833 20 30 CFEDHN CC1(C)CCN(C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000228088480 382844846 /nfs/dbraw/zinc/84/48/46/382844846.db2.gz UZDSSHCGJBZGSU-HNNXBMFYSA-N 0 3 290.432 2.809 20 30 CFEDHN CC(C#N)C(=O)N[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000337584809 382845559 /nfs/dbraw/zinc/84/55/59/382845559.db2.gz QSVWLUBWBYFZFZ-GPCCPHFNSA-N 0 3 262.740 2.851 20 30 CFEDHN C=C(CC)CN(C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000494399715 382912320 /nfs/dbraw/zinc/91/23/20/382912320.db2.gz NZUCWUFCRCXOAS-GFCCVEGCSA-N 0 3 256.390 2.798 20 30 CFEDHN C=C(C)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493901718 382907136 /nfs/dbraw/zinc/90/71/36/382907136.db2.gz WNPMNFRBATZWLU-HIFRSBDPSA-N 0 3 296.773 2.917 20 30 CFEDHN N#Cc1ccc(CN2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000577399556 382857683 /nfs/dbraw/zinc/85/76/83/382857683.db2.gz LTBLXFOVXGPRLQ-ZDUSSCGKSA-N 0 3 271.320 2.698 20 30 CFEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C#N)cc1 ZINC000232314314 382868435 /nfs/dbraw/zinc/86/84/35/382868435.db2.gz QMNMQQBUPNYJQF-LBPRGKRZSA-N 0 3 264.332 2.619 20 30 CFEDHN C#CCCN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000494064010 382910046 /nfs/dbraw/zinc/91/00/46/382910046.db2.gz CWSAVCPUUWQOER-KBPBESRZSA-N 0 3 280.412 2.777 20 30 CFEDHN C=CCNC(=O)CN(CC)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441362304 382910140 /nfs/dbraw/zinc/91/01/40/382910140.db2.gz YJALGGBPSFJDHW-KRWDZBQOSA-N 0 3 288.435 2.940 20 30 CFEDHN C[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)N1C ZINC000235586624 382883336 /nfs/dbraw/zinc/88/33/36/382883336.db2.gz QAXLLEAAAQJVPD-OKILXGFUSA-N 0 3 251.418 2.731 20 30 CFEDHN C[C@@H]1OCC[C@@]1(C)NCC#Cc1ccc(Cl)cc1 ZINC000494242326 382911445 /nfs/dbraw/zinc/91/14/45/382911445.db2.gz ROEMZMZMHKRDIB-SWLSCSKDSA-N 0 3 263.768 2.849 20 30 CFEDHN CCN(Cc1ccc(C(=O)N(C)C[C@H](C)C#N)cc1)C1CC1 ZINC000338003407 382897237 /nfs/dbraw/zinc/89/72/37/382897237.db2.gz RNLQAVSFJPAIEK-CQSZACIVSA-N 0 3 299.418 2.903 20 30 CFEDHN C[C@H](Cn1cccn1)NCC#Cc1ccccc1Cl ZINC000441164140 382898448 /nfs/dbraw/zinc/89/84/48/382898448.db2.gz DVNJNFPOOQVAQR-CYBMUJFWSA-N 0 3 273.767 2.566 20 30 CFEDHN Cc1c(C#N)cccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000338160028 382938203 /nfs/dbraw/zinc/93/82/03/382938203.db2.gz FPVHITCNKJKIHL-KBPBESRZSA-N 0 3 299.418 2.717 20 30 CFEDHN N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000578642537 382940030 /nfs/dbraw/zinc/94/00/30/382940030.db2.gz PDUXKHWCRGPMKL-SQWLQELKSA-N 0 3 289.423 2.592 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(Cn3ccnc3)cc2)C1 ZINC000442711535 382948111 /nfs/dbraw/zinc/94/81/11/382948111.db2.gz SAIFBSJIUOBOJS-SJORKVTESA-N 0 3 280.375 2.713 20 30 CFEDHN CCN(Cc1c[nH]c2ccccc12)C(=O)C(C)C#N ZINC000442728547 382950935 /nfs/dbraw/zinc/95/09/35/382950935.db2.gz ZTZKMKGELPUNCZ-LLVKDONJSA-N 0 3 255.321 2.676 20 30 CFEDHN N#Cc1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)nc1 ZINC000578834544 382958149 /nfs/dbraw/zinc/95/81/49/382958149.db2.gz BBENMIMIVPBYAH-KRWDZBQOSA-N 0 3 285.391 2.877 20 30 CFEDHN C[C@@H]1CCN(CCC(=O)N(C)CCC#N)[C@H]2CCCC[C@@H]12 ZINC000540010949 382962511 /nfs/dbraw/zinc/96/25/11/382962511.db2.gz VARQNNLOUGXAJI-PMPSAXMXSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CCN(C)CCC(=O)Nc1cccc(F)c1C ZINC000494689310 382919343 /nfs/dbraw/zinc/91/93/43/382919343.db2.gz KFKGODJFZJKOBR-UHFFFAOYSA-N 0 3 250.317 2.581 20 30 CFEDHN CCc1cc(C#N)ccc1OCCN1CCCCC1 ZINC000442090726 382929044 /nfs/dbraw/zinc/92/90/44/382929044.db2.gz VKUFYGKOBWSKSC-UHFFFAOYSA-N 0 3 258.365 2.985 20 30 CFEDHN COC[C@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC000543453511 382971723 /nfs/dbraw/zinc/97/17/23/382971723.db2.gz QCZNZCYHPFOQAL-HNNXBMFYSA-N 0 3 265.784 2.952 20 30 CFEDHN CC(C#N)C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000444407161 382973505 /nfs/dbraw/zinc/97/35/05/382973505.db2.gz CASQYUJXQOTHDI-SUNKGSAMSA-N 0 3 292.766 2.788 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3cccc(OC)c32)CC1 ZINC000543959526 382974732 /nfs/dbraw/zinc/97/47/32/382974732.db2.gz WLZVTCOYBJDBGG-UHFFFAOYSA-N 0 3 298.390 2.701 20 30 CFEDHN C=CC[C@@H]1N(C(=O)CN(C)CCC)CCCC1(C)C ZINC000444640510 382975879 /nfs/dbraw/zinc/97/58/79/382975879.db2.gz SDHSPIWPSRRFSS-AWEZNQCLSA-N 0 3 266.429 2.922 20 30 CFEDHN C=C(CC)CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721416 382979063 /nfs/dbraw/zinc/97/90/63/382979063.db2.gz FFMLQZCVAIFVFY-GHMZBOCLSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NCCCC)CCCC1(C)C ZINC000444779067 382980818 /nfs/dbraw/zinc/98/08/18/382980818.db2.gz XUPAGUFNCHHGCP-AWEZNQCLSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)N(C)C2CC2)CCCC1(C)C ZINC000444776859 382980969 /nfs/dbraw/zinc/98/09/69/382980969.db2.gz CYMJCDOCHRJWQT-AWEZNQCLSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(Cl)CNC[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495335029 382981098 /nfs/dbraw/zinc/98/10/98/382981098.db2.gz DAZIIBLBCBAHTO-CQSZACIVSA-N 0 3 288.819 2.976 20 30 CFEDHN C=CC[C@@H]1N(CC(=O)NCC2CCC2)CCCC1(C)C ZINC000444783540 382982679 /nfs/dbraw/zinc/98/26/79/382982679.db2.gz KXZUKDBRQQBJMW-HNNXBMFYSA-N 0 3 278.440 2.969 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCC(CC)(CC)C1 ZINC000446730147 382991165 /nfs/dbraw/zinc/99/11/65/382991165.db2.gz UPNLCNAWFQCBSE-UHFFFAOYSA-N 0 3 266.429 2.923 20 30 CFEDHN C[C@H](NCCC(=O)Nc1cccnc1)c1ccc(C#N)cc1 ZINC000338357911 383001281 /nfs/dbraw/zinc/00/12/81/383001281.db2.gz NCTPWAMXLFSESV-ZDUSSCGKSA-N 0 3 294.358 2.633 20 30 CFEDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N(CC)C[C@H](C)C#N ZINC000245458370 383001960 /nfs/dbraw/zinc/00/19/60/383001960.db2.gz UVEHYSWFJFKROM-OWCLPIDISA-N 0 3 293.455 2.895 20 30 CFEDHN C[C@H](NCc1ccc2c(c1)nnn2C)c1ccc(C#N)cc1 ZINC000338381498 383013480 /nfs/dbraw/zinc/01/34/80/383013480.db2.gz WHMCXFHXNRTHKJ-LBPRGKRZSA-N 0 3 291.358 2.691 20 30 CFEDHN CC(C)[C@H](C(=O)N1CCC(CC#N)CC1)N1CCCCC1 ZINC000542912225 382970549 /nfs/dbraw/zinc/97/05/49/382970549.db2.gz HLVUBGQRGLAXFW-MRXNPFEDSA-N 0 3 291.439 2.649 20 30 CFEDHN C=CC1CCN([C@H](CC(C)C)C(=O)OCC)CC1 ZINC000542928732 382970734 /nfs/dbraw/zinc/97/07/34/382970734.db2.gz UCQNYKFYIMHZDU-CQSZACIVSA-N 0 3 253.386 2.862 20 30 CFEDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC000338725549 383030048 /nfs/dbraw/zinc/03/00/48/383030048.db2.gz SUIBTUIYTOWEPK-HIFRSBDPSA-N 0 3 293.374 2.596 20 30 CFEDHN C=CCCCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000447957125 383034510 /nfs/dbraw/zinc/03/45/10/383034510.db2.gz YDGPEVJQAGFPCX-HNNXBMFYSA-N 0 3 289.423 2.772 20 30 CFEDHN C[C@@H](CCC#N)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495870041 383036756 /nfs/dbraw/zinc/03/67/56/383036756.db2.gz AYFDNYLMYWVCLV-KBPBESRZSA-N 0 3 295.427 2.915 20 30 CFEDHN C[C@H](CCC#N)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495870044 383037121 /nfs/dbraw/zinc/03/71/21/383037121.db2.gz AYFDNYLMYWVCLV-ZIAGYGMSSA-N 0 3 295.427 2.915 20 30 CFEDHN COc1cc(C#N)ccc1OCCN1CC[C@H](C)[C@H](C)C1 ZINC000245848991 383039738 /nfs/dbraw/zinc/03/97/38/383039738.db2.gz CNWYNFOUQXBLTO-UONOGXRCSA-N 0 3 288.391 2.924 20 30 CFEDHN C=CCOCCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000495922046 383043844 /nfs/dbraw/zinc/04/38/44/383043844.db2.gz SUXQUCOWQUQKDN-UHFFFAOYSA-N 0 3 298.427 2.568 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@@H](c2nccs2)C1 ZINC000246010398 383058726 /nfs/dbraw/zinc/05/87/26/383058726.db2.gz KYNHFZAWRDBUNS-CHWSQXEVSA-N 0 3 266.410 2.650 20 30 CFEDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)C(C)C#N ZINC000448452048 383061110 /nfs/dbraw/zinc/06/11/10/383061110.db2.gz JIOMLVVHRSOTPN-OFQRWUPVSA-N 0 3 286.375 2.961 20 30 CFEDHN CNC(=O)OC[C@@H]1CCCCN1CCCCC(C)(C)C#N ZINC000496084723 383062022 /nfs/dbraw/zinc/06/20/22/383062022.db2.gz VYARXFIZKGBTSK-AWEZNQCLSA-N 0 3 295.427 2.917 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000246283350 383070771 /nfs/dbraw/zinc/07/07/71/383070771.db2.gz CKZBQDNRKMUTNO-ZFWWWQNUSA-N 0 3 285.391 2.597 20 30 CFEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246295966 383071699 /nfs/dbraw/zinc/07/16/99/383071699.db2.gz DUSIEPURKUREDX-GOEBONIOSA-N 0 3 295.390 2.623 20 30 CFEDHN C#CCN(CC[C@H]1CCOC1=O)[C@H]1CCc2ccccc21 ZINC000246354046 383073431 /nfs/dbraw/zinc/07/34/31/383073431.db2.gz GJOQZHBLRLARAP-RDJZCZTQSA-N 0 3 283.371 2.562 20 30 CFEDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc(C#N)cc2)C1 ZINC000245691894 383023145 /nfs/dbraw/zinc/02/31/45/383023145.db2.gz PVRIWEZEGPYZGC-HOCLYGCPSA-N 0 3 298.390 2.506 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2cccc(N(C)C)c2)nc(C)n1 ZINC000338629236 383024867 /nfs/dbraw/zinc/02/48/67/383024867.db2.gz YNGJQPFWRQLYRM-HNNXBMFYSA-N 0 3 294.358 2.650 20 30 CFEDHN CN1CCCC(C)(C)[C@@H]1CNCc1ccc(C#N)cc1F ZINC000447899189 383026311 /nfs/dbraw/zinc/02/63/11/383026311.db2.gz RHZCTYGRZBMASS-INIZCTEOSA-N 0 3 289.398 2.907 20 30 CFEDHN CC[C@@H]1CN(C)CCCN1C(=O)Nc1cccc(C#N)c1 ZINC000596436013 383126538 /nfs/dbraw/zinc/12/65/38/383126538.db2.gz HIXJRUBZQLLUKC-OAHLLOKOSA-N 0 3 286.379 2.506 20 30 CFEDHN CC[C@H]1CN(C)CCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000596436032 383126621 /nfs/dbraw/zinc/12/66/21/383126621.db2.gz HZCJFNPUFLXLLB-HNNXBMFYSA-N 0 3 286.379 2.506 20 30 CFEDHN CC(C#N)C(=O)N(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458081489 383128152 /nfs/dbraw/zinc/12/81/52/383128152.db2.gz HMFKSAKWKJPGJU-YUELXQCFSA-N 0 3 256.349 2.941 20 30 CFEDHN CC(C)O[C@H]1C[C@H](NCc2ccc(C#N)cn2)C1(C)C ZINC000554359919 383132076 /nfs/dbraw/zinc/13/20/76/383132076.db2.gz KCQNJCUFULUBFP-GJZGRUSLSA-N 0 3 273.380 2.635 20 30 CFEDHN C=CCN1CC[C@@H](N(C)C[C@@H](CC)CCCC)C1=O ZINC000499993994 383136545 /nfs/dbraw/zinc/13/65/45/383136545.db2.gz DPTLYNJOIANARX-LSDHHAIUSA-N 0 3 266.429 2.922 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(CC)CC)C(C)C ZINC000503412404 383140037 /nfs/dbraw/zinc/14/00/37/383140037.db2.gz UMAYUCQWLQXBOU-HNNXBMFYSA-N 0 3 281.444 2.736 20 30 CFEDHN N#CCC[C@H](C#N)CNCC1(c2ccccc2)CCOCC1 ZINC000554552143 383141365 /nfs/dbraw/zinc/14/13/65/383141365.db2.gz DNTABAGSTPAZLI-MRXNPFEDSA-N 0 3 297.402 2.768 20 30 CFEDHN C[C@H](CCC#N)N(C)CCCN(C)C(=O)OC(C)(C)C ZINC000496262317 383081093 /nfs/dbraw/zinc/08/10/93/383081093.db2.gz ISCBHKOJASHBAD-CYBMUJFWSA-N 0 3 283.416 2.867 20 30 CFEDHN C[C@@H](C(=O)NCc1ccc(CC#N)cc1)N1[C@H](C)CC[C@@H]1C ZINC000581013732 383082515 /nfs/dbraw/zinc/08/25/15/383082515.db2.gz FICNFVNILCXOHA-ZNMIVQPWSA-N 0 3 299.418 2.630 20 30 CFEDHN CN(C)C(=O)O[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000496297093 383084171 /nfs/dbraw/zinc/08/41/71/383084171.db2.gz WCUBPNJPHDABBI-CQSZACIVSA-N 0 3 295.427 2.869 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)c(C)c1 ZINC000582222828 383086182 /nfs/dbraw/zinc/08/61/82/383086182.db2.gz DOYQQAJUSPIWTP-CVEARBPZSA-N 0 3 288.391 2.565 20 30 CFEDHN CN(CCCC(C)(C)C#N)CCNC(=O)OC(C)(C)C ZINC000496371201 383093898 /nfs/dbraw/zinc/09/38/98/383093898.db2.gz XTLZSGVYUAZGQK-UHFFFAOYSA-N 0 3 283.416 2.773 20 30 CFEDHN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246759948 383101257 /nfs/dbraw/zinc/10/12/57/383101257.db2.gz KEYPSYXIGVAGHY-INMHGKMJSA-N 0 3 299.418 2.625 20 30 CFEDHN CN(CC#Cc1cccc(Cl)c1)C[C@@H]1CCC[C@H]1O ZINC000246761232 383101325 /nfs/dbraw/zinc/10/13/25/383101325.db2.gz OVYXUFXCDPMIRL-GOEBONIOSA-N 0 3 277.795 2.784 20 30 CFEDHN C=CCN1CCC(NC(=O)N[C@H]2CC[C@H](C)CC2)CC1 ZINC000246822162 383108750 /nfs/dbraw/zinc/10/87/50/383108750.db2.gz ACQDWAGHZAHAMJ-HDJSIYSDSA-N 0 3 279.428 2.515 20 30 CFEDHN CN(C)Cc1ccccc1C(=O)N1CCC(CCC#N)CC1 ZINC000565543713 383179012 /nfs/dbraw/zinc/17/90/12/383179012.db2.gz JNGFQRNIFBESQR-UHFFFAOYSA-N 0 3 299.418 2.904 20 30 CFEDHN C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1n1ccnc1 ZINC000247559120 383184479 /nfs/dbraw/zinc/18/44/79/383184479.db2.gz KTVRCBOSQCGQOK-WMLDXEAASA-N 0 3 280.375 2.838 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000566407418 383186313 /nfs/dbraw/zinc/18/63/13/383186313.db2.gz VABRPDKONWZBPZ-TZMCWYRMSA-N 0 3 258.365 2.505 20 30 CFEDHN C=CC[C@H](CO)NCc1cc2ccccc2c(OC)c1 ZINC000449240208 383186565 /nfs/dbraw/zinc/18/65/65/383186565.db2.gz YETZBPRKWXXEBN-OAHLLOKOSA-N 0 3 271.360 2.875 20 30 CFEDHN CC[C@@H]1CN(C)CCN1CC#Cc1cccc(Cl)c1 ZINC000566557716 383188142 /nfs/dbraw/zinc/18/81/42/383188142.db2.gz IOVZNZUXHKFHSU-MRXNPFEDSA-N 0 3 276.811 2.718 20 30 CFEDHN C=C(C)[C@H](CC(=O)NCCN1[C@@H](C)CCC[C@@H]1C)OCC ZINC000339362859 383191830 /nfs/dbraw/zinc/19/18/30/383191830.db2.gz SCPMRTXCEPFJNE-JYJNAYRXSA-N 0 3 296.455 2.737 20 30 CFEDHN C=CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000634457547 383199083 /nfs/dbraw/zinc/19/90/83/383199083.db2.gz AZXQZOHPMSNKKA-MRXNPFEDSA-N 0 3 286.419 2.898 20 30 CFEDHN COc1cc(CN[C@H](C)c2cc[nH]c(=O)c2)ccc1C#N ZINC000339457808 383204070 /nfs/dbraw/zinc/20/40/70/383204070.db2.gz ZSCXRNBLSWOLFM-LLVKDONJSA-N 0 3 283.331 2.518 20 30 CFEDHN CC[C@H](NCCOC[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000518683941 383207170 /nfs/dbraw/zinc/20/71/70/383207170.db2.gz HUYNKBLPWGYFRT-SJORKVTESA-N 0 3 288.391 2.795 20 30 CFEDHN C=CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508874780 383147633 /nfs/dbraw/zinc/14/76/33/383147633.db2.gz BGKSRXAWBIDKDR-GDBMZVCRSA-N 0 3 289.423 2.814 20 30 CFEDHN C=CCn1c(SC[C@H]2CCCC[N@H+]2C(C)C)n[n-]c1=O ZINC000339113827 383153746 /nfs/dbraw/zinc/15/37/46/383153746.db2.gz IICHUSAZEXFTAK-GFCCVEGCSA-N 0 3 296.440 2.525 20 30 CFEDHN C=CCn1c(SC[C@H]2CCCC[N@@H+]2C(C)C)n[n-]c1=O ZINC000339113827 383153751 /nfs/dbraw/zinc/15/37/51/383153751.db2.gz IICHUSAZEXFTAK-GFCCVEGCSA-N 0 3 296.440 2.525 20 30 CFEDHN Cc1noc(C[C@H](N[C@H]2CC[C@@H](C#N)C2)c2ccccc2)n1 ZINC000514708339 383154386 /nfs/dbraw/zinc/15/43/86/383154386.db2.gz UMJZUVWKRHWWMO-KBMXLJTQSA-N 0 3 296.374 2.944 20 30 CFEDHN C[C@H](NCC1(CC#N)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000562381429 383157040 /nfs/dbraw/zinc/15/70/40/383157040.db2.gz JXPABYIKUBWWGN-LBPRGKRZSA-N 0 3 283.375 2.916 20 30 CFEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1nnc2ccccn21 ZINC000449067086 383158672 /nfs/dbraw/zinc/15/86/72/383158672.db2.gz IBPTXWUOOBBJIY-VEAWUBTESA-N 0 3 283.379 2.852 20 30 CFEDHN C=CCOCCN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000339147225 383166494 /nfs/dbraw/zinc/16/64/94/383166494.db2.gz BDQVXWOCELRLEJ-INIZCTEOSA-N 0 3 263.356 2.992 20 30 CFEDHN C[C@@]1(c2ccc(F)cc2)CCN(CCOCCC#N)C1 ZINC000339148780 383166938 /nfs/dbraw/zinc/16/69/38/383166938.db2.gz LOLFDHBQTWJUPP-MRXNPFEDSA-N 0 3 276.355 2.719 20 30 CFEDHN C[C@]1(c2ccc(F)cc2)CCN(CCOCCC#N)C1 ZINC000339148779 383166999 /nfs/dbraw/zinc/16/69/99/383166999.db2.gz LOLFDHBQTWJUPP-INIZCTEOSA-N 0 3 276.355 2.719 20 30 CFEDHN CO[C@H](CN[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000449392479 383260020 /nfs/dbraw/zinc/26/00/20/383260020.db2.gz JCMRVYMXVMHLKN-OAGGEKHMSA-N 0 3 258.365 2.526 20 30 CFEDHN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)C[C@@H](C)N1C ZINC000339623251 383265170 /nfs/dbraw/zinc/26/51/70/383265170.db2.gz UJBOLWGISTUATK-VXGBXAGGSA-N 0 3 277.799 2.736 20 30 CFEDHN C=CCOc1cccc(CNCC2=CCOCC2)c1 ZINC000449405095 383270049 /nfs/dbraw/zinc/27/00/49/383270049.db2.gz XDQPRCPVAOZWCM-UHFFFAOYSA-N 0 3 259.349 2.688 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000424655388 383222258 /nfs/dbraw/zinc/22/22/58/383222258.db2.gz WGDAUYPCEYILRY-ZIAGYGMSSA-N 0 3 282.403 2.671 20 30 CFEDHN C[C@H](C(=O)N1CCC(CCC#N)CC1)[C@@H](N)c1ccccc1 ZINC000519604179 383229545 /nfs/dbraw/zinc/22/95/45/383229545.db2.gz MWUUKCSMMQSMID-WMLDXEAASA-N 0 3 299.418 2.865 20 30 CFEDHN C=CCCCCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000519614986 383230651 /nfs/dbraw/zinc/23/06/51/383230651.db2.gz PJNWRHNLNKCVFL-DZGCQCFKSA-N 0 3 279.428 2.515 20 30 CFEDHN COc1ccc(CN(C)C)cc1N[C@@H]1CC[C@H](C#N)C1 ZINC000519804367 383236454 /nfs/dbraw/zinc/23/64/54/383236454.db2.gz CQCWKKLZZDXKRP-GXTWGEPZSA-N 0 3 273.380 2.861 20 30 CFEDHN CCO[C@@H]1CCN(Cc2ccc(OC)c(C#N)c2)C[C@@H]1C ZINC000449490395 383328284 /nfs/dbraw/zinc/32/82/84/383328284.db2.gz CCCODKFTJFPMMK-XJKSGUPXSA-N 0 3 288.391 2.814 20 30 CFEDHN CCN(CC)[C@H](CNc1cc(C)ncc1C#N)c1ccco1 ZINC000425213269 383341596 /nfs/dbraw/zinc/34/15/96/383341596.db2.gz GPXMFEQNUXPFGU-MRXNPFEDSA-N 0 3 298.390 2.772 20 30 CFEDHN C[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1n1ccnc1 ZINC000248832967 383295956 /nfs/dbraw/zinc/29/59/56/383295956.db2.gz ITWXGVFCVZMEHG-SJLPKXTDSA-N 0 3 279.387 2.818 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339720220 383296652 /nfs/dbraw/zinc/29/66/52/383296652.db2.gz PZPYILPWTAKPKW-LSDHHAIUSA-N 0 3 276.424 2.698 20 30 CFEDHN CC(C)(CO)[C@H](NCc1cccc(F)c1C#N)C1CC1 ZINC000339727564 383299099 /nfs/dbraw/zinc/29/90/99/383299099.db2.gz GNLYHHCYBPWBQP-OAHLLOKOSA-N 0 3 276.355 2.584 20 30 CFEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424967740 383299208 /nfs/dbraw/zinc/29/92/08/383299208.db2.gz RXLMOZSFUVIMLA-HRCADAONSA-N 0 3 281.359 2.567 20 30 CFEDHN CC(C)(CO)[C@@H](NCc1cccc(C#N)c1F)C1CC1 ZINC000339726669 383299502 /nfs/dbraw/zinc/29/95/02/383299502.db2.gz RIECAWSDYUQBQR-HNNXBMFYSA-N 0 3 276.355 2.584 20 30 CFEDHN CN(C)CCSCc1ccc(C#N)cc1OC(F)F ZINC000339745313 383305260 /nfs/dbraw/zinc/30/52/60/383305260.db2.gz QQRFNXDROFSPPZ-UHFFFAOYSA-N 0 3 286.347 2.954 20 30 CFEDHN OCC[C@H]1CCCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426266796 383396942 /nfs/dbraw/zinc/39/69/42/383396942.db2.gz KZIUTQXXQCHWLN-OAHLLOKOSA-N 0 3 297.320 2.904 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1 ZINC000426494533 383402371 /nfs/dbraw/zinc/40/23/71/383402371.db2.gz BXBLFQAGLUWDGN-KRWDZBQOSA-N 0 3 273.376 2.598 20 30 CFEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(CC#N)cc1 ZINC000479535767 383408311 /nfs/dbraw/zinc/40/83/11/383408311.db2.gz YYJTYETYMPZJTR-AWEZNQCLSA-N 0 3 299.418 2.555 20 30 CFEDHN Cc1cc(N(C)CCCN(C)Cc2ccco2)c(C#N)cn1 ZINC000425253797 383350766 /nfs/dbraw/zinc/35/07/66/383350766.db2.gz LPYAKSBKAPBROJ-UHFFFAOYSA-N 0 3 298.390 2.813 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNc1cc(C)ncc1C#N)c1ccco1 ZINC000425255901 383351170 /nfs/dbraw/zinc/35/11/70/383351170.db2.gz QNAYAQDZGFQJMT-WBMJQRKESA-N 0 3 298.390 2.818 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(OC(C)C)cc1 ZINC000449518091 383351709 /nfs/dbraw/zinc/35/17/09/383351709.db2.gz IJYBDKSPQWWMJH-CVEARBPZSA-N 0 3 261.365 2.907 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C#N)c(C)c1 ZINC000449548970 383355710 /nfs/dbraw/zinc/35/57/10/383355710.db2.gz SPNOSPVVJLJTQI-CVEARBPZSA-N 0 3 256.349 2.690 20 30 CFEDHN C=CCC1(C(=O)NCCN2CCCCC2)CCCC1 ZINC000449616954 383358054 /nfs/dbraw/zinc/35/80/54/383358054.db2.gz FSFPTLDZNNXXEK-UHFFFAOYSA-N 0 3 264.413 2.725 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc2c(c1)OCCCCO2 ZINC000449695459 383360911 /nfs/dbraw/zinc/36/09/11/383360911.db2.gz FCUMZPSLBCYFSL-HNNXBMFYSA-N 0 3 291.391 2.655 20 30 CFEDHN C=CCC[C@@H](CO)NCc1ccc(OCC)c(F)c1 ZINC000449702322 383362127 /nfs/dbraw/zinc/36/21/27/383362127.db2.gz YRMQUCATOZAFQH-ZDUSSCGKSA-N 0 3 267.344 2.641 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CCC)C(C)C)CC1 ZINC000568184491 383371232 /nfs/dbraw/zinc/37/12/32/383371232.db2.gz XYOCFRSLBXPRKM-UHFFFAOYSA-N 0 3 281.444 2.857 20 30 CFEDHN COc1ccc(CN(C[C@H](C)OC)C(C)C)cc1C#N ZINC000340194190 383378154 /nfs/dbraw/zinc/37/81/54/383378154.db2.gz FMCSLRBKRCYZFC-ZDUSSCGKSA-N 0 3 276.380 2.812 20 30 CFEDHN COc1ccc(CN2CCC[C@H]3COCC[C@H]32)cc1C#N ZINC000340198723 383378710 /nfs/dbraw/zinc/37/87/10/383378710.db2.gz QVSSQROWUQAEFU-GOEBONIOSA-N 0 3 286.375 2.568 20 30 CFEDHN C=C(C)COc1cc(CN2C[C@H](O)C[C@H]2C)ccc1OC ZINC000471802622 383378765 /nfs/dbraw/zinc/37/87/65/383378765.db2.gz DCHGQMJILYQJMU-UKRRQHHQSA-N 0 3 291.391 2.605 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000450100835 383380587 /nfs/dbraw/zinc/38/05/87/383380587.db2.gz BIAXZFLXSMPUGM-MLGOLLRUSA-N 0 3 271.364 2.545 20 30 CFEDHN Cc1ccc(CN(C)C)cc1NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000450100833 383381091 /nfs/dbraw/zinc/38/10/91/383381091.db2.gz BIAXZFLXSMPUGM-BLLLJJGKSA-N 0 3 271.364 2.545 20 30 CFEDHN C=CCCN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC000425510494 383382472 /nfs/dbraw/zinc/38/24/72/383382472.db2.gz MMUHSVTWISPKKY-UONOGXRCSA-N 0 3 295.329 2.729 20 30 CFEDHN N#CC1(CN2CCCN(Cc3ccccc3)CC2)CCC1 ZINC000450239957 383387449 /nfs/dbraw/zinc/38/74/49/383387449.db2.gz FLHNQHKIJWAEMW-UHFFFAOYSA-N 0 3 283.419 2.888 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)[C@]2(C#N)C[C@H]2C)c1 ZINC000450272296 383388116 /nfs/dbraw/zinc/38/81/16/383388116.db2.gz WVELNOWMOBSKPJ-WBMJQRKESA-N 0 3 271.364 2.545 20 30 CFEDHN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CC23CCCC3)cc1 ZINC000526930251 383437328 /nfs/dbraw/zinc/43/73/28/383437328.db2.gz DWPLZFSVOCEIOI-JKSUJKDBSA-N 0 3 293.370 2.689 20 30 CFEDHN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C(C)(C)C)C1 ZINC000483228828 383443269 /nfs/dbraw/zinc/44/32/69/383443269.db2.gz AKPYGVRHWKOAKF-RHSMWYFYSA-N 0 3 293.455 2.799 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1CCC(c2ccccc2)CC1 ZINC000253377060 383453562 /nfs/dbraw/zinc/45/35/62/383453562.db2.gz VWLRUXWHZCVUIC-CQSZACIVSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCN(CC(=O)NC(C)(C)C)CC1CCCCC1 ZINC000484491247 383456507 /nfs/dbraw/zinc/45/65/07/383456507.db2.gz UQUSTTGIGHDRHB-UHFFFAOYSA-N 0 3 266.429 2.969 20 30 CFEDHN C=CCOc1ccc(CN2CC[C@@](O)(CC)C2)cc1OC ZINC000428419862 383468707 /nfs/dbraw/zinc/46/87/07/383468707.db2.gz GIYMKTMVXQOQCL-KRWDZBQOSA-N 0 3 291.391 2.607 20 30 CFEDHN CN(CCN(C)C1CC1)c1cccc(Cl)c1C#N ZINC000450461720 383419907 /nfs/dbraw/zinc/41/99/07/383419907.db2.gz XACGZFLKIGPUHW-UHFFFAOYSA-N 0 3 263.772 2.742 20 30 CFEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC1(C#N)CCC1 ZINC000450756994 383485760 /nfs/dbraw/zinc/48/57/60/383485760.db2.gz LNQQNPDXADASJH-KBPBESRZSA-N 0 3 250.386 2.864 20 30 CFEDHN Cc1nc(N2CCN(C3CCC(C)CC3)CC2)ccc1C#N ZINC000488078827 383494477 /nfs/dbraw/zinc/49/44/77/383494477.db2.gz SDRSITKDQFWVST-UHFFFAOYSA-N 0 3 298.434 2.962 20 30 CFEDHN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000428595879 383495911 /nfs/dbraw/zinc/49/59/11/383495911.db2.gz FXLGFLBUWULUDO-GXFFZTMASA-N 0 3 280.755 2.646 20 30 CFEDHN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(C)C#N ZINC000428595878 383495955 /nfs/dbraw/zinc/49/59/55/383495955.db2.gz FXLGFLBUWULUDO-GWCFXTLKSA-N 0 3 280.755 2.646 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C)(OCC)CC1 ZINC000428721951 383498840 /nfs/dbraw/zinc/49/88/40/383498840.db2.gz OJPDCTHBSRCIDE-HNNXBMFYSA-N 0 3 296.455 2.691 20 30 CFEDHN C=CCn1cccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000488153470 383500513 /nfs/dbraw/zinc/50/05/13/383500513.db2.gz SFZYBFDLCSHSCR-NSHDSACASA-N 0 3 271.345 2.929 20 30 CFEDHN CCN(C(=O)C(C)C#N)[C@H](C)Cc1ccsc1 ZINC000428862614 383500933 /nfs/dbraw/zinc/50/09/33/383500933.db2.gz NXYLODPTMFXHEJ-GHMZBOCLSA-N 0 3 250.367 2.687 20 30 CFEDHN C=CCOCCCN1Cc2ccccc2O[C@H](C)C1 ZINC000429163476 383505744 /nfs/dbraw/zinc/50/57/44/383505744.db2.gz VDQCGHNUJLFMLE-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCC(C)(C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000429832404 383572344 /nfs/dbraw/zinc/57/23/44/383572344.db2.gz RDVXERBHVMQIQV-CYBMUJFWSA-N 0 3 252.402 2.579 20 30 CFEDHN CCN1C[C@@H](C)N(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000341123786 383574430 /nfs/dbraw/zinc/57/44/30/383574430.db2.gz ITKSEDBXMQVPJI-CHWSQXEVSA-N 0 3 275.371 2.612 20 30 CFEDHN N#CCC1(CNCc2cc3ccccc3[nH]c2=O)CC1 ZINC000430041823 383586276 /nfs/dbraw/zinc/58/62/76/383586276.db2.gz OJRMWKLZVQHMON-UHFFFAOYSA-N 0 3 267.332 2.724 20 30 CFEDHN CC1(C)CC[C@H]1NCC(=O)N(CCC#N)c1ccccc1 ZINC000570407937 383601896 /nfs/dbraw/zinc/60/18/96/383601896.db2.gz PWLQZLYUYNCOFU-OAHLLOKOSA-N 0 3 285.391 2.711 20 30 CFEDHN CCN(CCN(C)Cc1ccccc1)C[C@@H](C)C#N ZINC000429691203 383559072 /nfs/dbraw/zinc/55/90/72/383559072.db2.gz VPPZPWDADUTOIL-HNNXBMFYSA-N 0 3 259.397 2.600 20 30 CFEDHN CC(C)N1CC[C@H](N(C)c2cccc(F)c2C#N)C1 ZINC000450950424 383565107 /nfs/dbraw/zinc/56/51/07/383565107.db2.gz MQYUEPQNWKKMPG-LBPRGKRZSA-N 0 3 261.344 2.616 20 30 CFEDHN CC1(C)[C@H](NCc2ccc(F)cc2C#N)[C@H]2CCO[C@H]21 ZINC000451465498 383621937 /nfs/dbraw/zinc/62/19/37/383621937.db2.gz POOQPFMAUXKFIN-RBSFLKMASA-N 0 3 274.339 2.600 20 30 CFEDHN COc1ccc(C#N)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451485459 383626055 /nfs/dbraw/zinc/62/60/55/383626055.db2.gz AVGKJFXOVVLYCL-OIISXLGYSA-N 0 3 298.386 2.614 20 30 CFEDHN CO[C@]1(C)C[C@H](NCc2ccc(F)c(C#N)c2)C1(C)C ZINC000451501137 383629979 /nfs/dbraw/zinc/62/99/79/383629979.db2.gz ZAGNFRXLTGDITK-GOEBONIOSA-N 0 3 276.355 2.991 20 30 CFEDHN Cc1ccccc1C[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000528915467 383676226 /nfs/dbraw/zinc/67/62/26/383676226.db2.gz NQILPFSXKZZGBV-HOCLYGCPSA-N 0 3 298.386 2.505 20 30 CFEDHN C[C@@H]1COCC[C@@H]1NCC#Cc1ccccc1Cl ZINC000433145278 383754989 /nfs/dbraw/zinc/75/49/89/383754989.db2.gz GSHPTCFKQABXEH-DOMZBBRYSA-N 0 3 263.768 2.706 20 30 CFEDHN C[C@H](NC(=O)C(C#N)CCc1ccccc1)C1CC1 ZINC000433225556 383756204 /nfs/dbraw/zinc/75/62/04/383756204.db2.gz JAPFGKDUFVPHFP-WFASDCNBSA-N 0 3 256.349 2.674 20 30 CFEDHN CN(CCCCC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000433315665 383760141 /nfs/dbraw/zinc/76/01/41/383760141.db2.gz YTPADVMKXMLSGK-UHFFFAOYSA-N 0 3 268.401 2.980 20 30 CFEDHN C#CCCCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000192115087 533003688 /nfs/dbraw/zinc/00/36/88/533003688.db2.gz TXFMSFFNPWGBOA-UHFFFAOYSA-N 0 3 288.391 2.506 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(CC)s1 ZINC000435732153 383778807 /nfs/dbraw/zinc/77/88/07/383778807.db2.gz NTCBNRWZWKFENR-SMDDNHRTSA-N 0 3 266.410 2.776 20 30 CFEDHN N#Cc1c(Cl)nsc1NCC12CCCN1CCC2 ZINC000280969655 195051452 /nfs/dbraw/zinc/05/14/52/195051452.db2.gz LVPOTRVPPYPZIQ-UHFFFAOYSA-N 0 3 282.800 2.708 20 30 CFEDHN CC(C)[C@H](C#N)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000264832658 383788580 /nfs/dbraw/zinc/78/85/80/383788580.db2.gz ZMMZWGDBIFECOV-SJORKVTESA-N 0 3 299.418 2.563 20 30 CFEDHN CO[C@H]1C[C@H](NCc2cccc(C#N)c2F)C12CCC2 ZINC000453209553 383801757 /nfs/dbraw/zinc/80/17/57/383801757.db2.gz DDODTJAVPJORJI-KBPBESRZSA-N 0 3 274.339 2.745 20 30 CFEDHN C#CCOc1ccccc1CNC[C@@](C)(O)c1ccccc1 ZINC000265130151 383838552 /nfs/dbraw/zinc/83/85/52/383838552.db2.gz IPQNZFJKDKCDSL-LJQANCHMSA-N 0 3 295.382 2.696 20 30 CFEDHN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000265254862 383874640 /nfs/dbraw/zinc/87/46/40/383874640.db2.gz UKCXWVRYEYJWGZ-HZPDHXFCSA-N 0 3 276.355 2.823 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@]23C[C@@H]2CCCC3)CC1 ZINC000636742128 383877334 /nfs/dbraw/zinc/87/73/34/383877334.db2.gz KGNOKSYQLXOGPI-YOEHRIQHSA-N 0 3 291.439 2.659 20 30 CFEDHN CC[C@@H](CNc1ncc(C#N)cc1Cl)N1CCCC1 ZINC000265102523 383832961 /nfs/dbraw/zinc/83/29/61/383832961.db2.gz FJFIZAXFTWHRSP-LBPRGKRZSA-N 0 3 278.787 2.893 20 30 CFEDHN C=CC[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000265427866 383914244 /nfs/dbraw/zinc/91/42/44/383914244.db2.gz MCYVRQJIEZNJLC-GDBMZVCRSA-N 0 3 287.407 2.525 20 30 CFEDHN C#CCCCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000192127456 533019892 /nfs/dbraw/zinc/01/98/92/533019892.db2.gz NCEGYNXTUXQKAJ-KRWDZBQOSA-N 0 3 284.403 2.743 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000185783626 262070450 /nfs/dbraw/zinc/07/04/50/262070450.db2.gz IROIOFXBSOUVDV-WCQYABFASA-N 0 3 259.309 2.767 20 30 CFEDHN CCCCN(CC#CCOC)[C@H]1CCc2ncsc2C1 ZINC000646129471 383882520 /nfs/dbraw/zinc/88/25/20/383882520.db2.gz IBKSIQLECDARQT-AWEZNQCLSA-N 0 3 292.448 2.752 20 30 CFEDHN C=CCOCCCc1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1 ZINC000680776710 542364349 /nfs/dbraw/zinc/36/43/49/542364349.db2.gz WZVLCOOEQYDWRG-AGUYFDCRSA-N 0 3 291.395 2.545 20 30 CFEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(C#N)n2C)n1 ZINC000453690567 383897378 /nfs/dbraw/zinc/89/73/78/383897378.db2.gz JQTZLFUTDXKKSS-NSHDSACASA-N 0 3 298.371 2.967 20 30 CFEDHN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)C(C)C#N ZINC000438044436 383937790 /nfs/dbraw/zinc/93/77/90/383937790.db2.gz MJUIHIPQVNRSKU-MGPQQGTHSA-N 0 3 266.385 2.636 20 30 CFEDHN C=CCN(CCc1cnn(C)c1)Cc1ccc(OC)cc1 ZINC000265567464 383946661 /nfs/dbraw/zinc/94/66/61/383946661.db2.gz GRWXMHCCVYFFOT-UHFFFAOYSA-N 0 3 285.391 2.659 20 30 CFEDHN C#CCCCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000192161731 533022034 /nfs/dbraw/zinc/02/20/34/533022034.db2.gz ZIVWGDLZPCUECS-WBVHZDCISA-N 0 3 284.403 2.569 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)c1sccc1C#N ZINC000438564528 384019784 /nfs/dbraw/zinc/01/97/84/384019784.db2.gz ZRCSVAHYHXUGFO-UHFFFAOYSA-N 0 3 299.399 2.976 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000637321123 384026818 /nfs/dbraw/zinc/02/68/18/384026818.db2.gz FJSGGGWLYAVNTJ-KGLIPLIRSA-N 0 3 281.444 2.713 20 30 CFEDHN C=CC(C)(C)CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000637323605 384030337 /nfs/dbraw/zinc/03/03/37/384030337.db2.gz KFPURYKFKNLHKU-AWEZNQCLSA-N 0 3 293.455 2.714 20 30 CFEDHN C[C@](CO)(NCc1ccccc1C#N)C1CCCCC1 ZINC000265948022 384034590 /nfs/dbraw/zinc/03/45/90/384034590.db2.gz SQFUJQYLSYDRRJ-QGZVFWFLSA-N 0 3 272.392 2.979 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000440004978 384054899 /nfs/dbraw/zinc/05/48/99/384054899.db2.gz RHNLZVUBGOZDPC-PSASIEDQSA-N 0 3 262.275 2.773 20 30 CFEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637471565 384077772 /nfs/dbraw/zinc/07/77/72/384077772.db2.gz VXENNPNMPHQVED-HOCLYGCPSA-N 0 3 291.439 2.753 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)C1CCN(C)CC1 ZINC000266170302 384102259 /nfs/dbraw/zinc/10/22/59/384102259.db2.gz SAMUMBBCERTJLL-UHFFFAOYSA-N 0 3 286.419 2.586 20 30 CFEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)[C@@H]1CCCO1 ZINC000440627837 384116217 /nfs/dbraw/zinc/11/62/17/384116217.db2.gz VMATUNJWDCWXTJ-GJZGRUSLSA-N 0 3 274.364 2.614 20 30 CFEDHN C=CCOCCCC(=O)N(CCN(C)C)c1ccccc1 ZINC000266285911 384136289 /nfs/dbraw/zinc/13/62/89/384136289.db2.gz MKQNGUACXFKPAK-UHFFFAOYSA-N 0 3 290.407 2.564 20 30 CFEDHN CC(C)N1CC[C@H](Nc2ccc(Cl)c(C#N)n2)C1 ZINC000266253869 384128928 /nfs/dbraw/zinc/12/89/28/384128928.db2.gz WUXPVVYNWRXUJJ-JTQLQIEISA-N 0 3 264.760 2.501 20 30 CFEDHN C=CCOc1cccc(CNCc2ccn(C)c2)c1 ZINC000267125720 384305044 /nfs/dbraw/zinc/30/50/44/384305044.db2.gz UXFVWRDSPIBXJW-UHFFFAOYSA-N 0 3 256.349 2.880 20 30 CFEDHN C=CCOc1ccccc1CN[C@H](CO)C/C=C\C ZINC000641747964 384314240 /nfs/dbraw/zinc/31/42/40/384314240.db2.gz MSJWBXWUDDCAHR-QTLSWZBMSA-N 0 3 261.365 2.668 20 30 CFEDHN CN(CCNc1cccc(C#N)n1)Cc1ccc(F)cc1 ZINC000267175740 384314981 /nfs/dbraw/zinc/31/49/81/384314981.db2.gz JEMRTYKOBZYKHT-UHFFFAOYSA-N 0 3 284.338 2.636 20 30 CFEDHN C=C(C)CN1CCC(Nc2ncc(Cl)cn2)CC1 ZINC000267105170 384300687 /nfs/dbraw/zinc/30/06/87/384300687.db2.gz QATREEJSSQCUOC-UHFFFAOYSA-N 0 3 266.776 2.582 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C)c(Cl)c1 ZINC000641768155 384335211 /nfs/dbraw/zinc/33/52/11/384335211.db2.gz XNGJNFLVWOJFCN-ZDUSSCGKSA-N 0 3 251.757 2.512 20 30 CFEDHN C[C@@H]1C[C@H](N(C)c2ccc(Cl)c(C#N)n2)CCN1C ZINC000267231417 384330850 /nfs/dbraw/zinc/33/08/50/384330850.db2.gz PYHLWNXJTPXKML-GHMZBOCLSA-N 0 3 278.787 2.526 20 30 CFEDHN CC#CC[C@@H](CO)NCc1ccc(C(C)(C)C)s1 ZINC000641766900 384333556 /nfs/dbraw/zinc/33/35/56/384333556.db2.gz DKOHOFHLBIOHSE-LBPRGKRZSA-N 0 3 265.422 2.910 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)nc1)c1ccsc1 ZINC000267446840 384394273 /nfs/dbraw/zinc/39/42/73/384394273.db2.gz ZYSNPVHJAWGPBZ-CQSZACIVSA-N 0 3 272.377 2.730 20 30 CFEDHN C=CCN(CCC(C)(C)O)Cc1ccc(OC)cc1 ZINC000267478312 384401315 /nfs/dbraw/zinc/40/13/15/384401315.db2.gz XBJMCYZYXARGAN-UHFFFAOYSA-N 0 3 263.381 2.844 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)C(C)(C)C ZINC000642103259 384405012 /nfs/dbraw/zinc/40/50/12/384405012.db2.gz JEIJGPPIVPTOGQ-CYBMUJFWSA-N 0 3 254.418 2.777 20 30 CFEDHN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267401978 384380373 /nfs/dbraw/zinc/38/03/73/384380373.db2.gz JJAMAMQUBSPQOY-NVXWUHKLSA-N 0 3 286.419 2.979 20 30 CFEDHN CC#CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000642397556 384432600 /nfs/dbraw/zinc/43/26/00/384432600.db2.gz DSJPOOUZCFBXAJ-QGZVFWFLSA-N 0 3 299.418 2.536 20 30 CFEDHN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3C)C2)C1=O ZINC000281138812 195120037 /nfs/dbraw/zinc/12/00/37/195120037.db2.gz ALWBRBGHCSOWKW-RDJZCZTQSA-N 0 3 284.403 2.571 20 30 CFEDHN C#C[C@@H](NCc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000289395137 197327444 /nfs/dbraw/zinc/32/74/44/197327444.db2.gz NYLJWLHWIKIZCK-QGZVFWFLSA-N 0 3 292.386 2.706 20 30 CFEDHN C#C[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000289387025 197323777 /nfs/dbraw/zinc/32/37/77/197323777.db2.gz NCQWTHSGLIUIEV-KGLIPLIRSA-N 0 3 258.365 2.632 20 30 CFEDHN CC[C@H](N[C@H](C)CN1CCCC1=O)c1ccc(C#N)cc1 ZINC000278175611 384490948 /nfs/dbraw/zinc/49/09/48/384490948.db2.gz CVCIRLMPNZRRMO-CJNGLKHVSA-N 0 3 285.391 2.610 20 30 CFEDHN C=CCCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000279545280 384672297 /nfs/dbraw/zinc/67/22/97/384672297.db2.gz MEHRGXCKRVIEHS-CVEARBPZSA-N 0 3 287.407 2.697 20 30 CFEDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC#Cc1ccc(F)cc1 ZINC000680989311 542394730 /nfs/dbraw/zinc/39/47/30/542394730.db2.gz FBUGVMPCHJGJOH-HNAYVOBHSA-N 0 3 297.373 2.931 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1cnc(-c2ccccc2)nc1 ZINC000643793925 384764156 /nfs/dbraw/zinc/76/41/56/384764156.db2.gz JZLAVGMUNKUGFW-IRXDYDNUSA-N 0 3 295.386 2.824 20 30 CFEDHN C=CCC[C@H](NC(=O)/C=C/CN(C)C)c1ccccc1 ZINC000269571573 384791793 /nfs/dbraw/zinc/79/17/93/384791793.db2.gz NOXJFQHHXGLZLX-WQMJKPAKSA-N 0 3 272.392 2.928 20 30 CFEDHN C=C1CCN(CCC(=O)N(C)c2ccccc2)CC1 ZINC000269688843 384837027 /nfs/dbraw/zinc/83/70/27/384837027.db2.gz HKYGWJVXZYPEKA-UHFFFAOYSA-N 0 3 258.365 2.692 20 30 CFEDHN COc1ccc(CNCC(C)(C)[C@H](O)C(C)C)cc1C#N ZINC000269935378 384910487 /nfs/dbraw/zinc/91/04/87/384910487.db2.gz NVCDJMWRIGGMGK-MRXNPFEDSA-N 0 3 290.407 2.700 20 30 CFEDHN CC(C)CC[C@@H](O)CN(C)Cc1cccc(C#N)c1 ZINC000280321034 384973369 /nfs/dbraw/zinc/97/33/69/384973369.db2.gz PGYFCFAXJMMDMV-MRXNPFEDSA-N 0 3 260.381 2.787 20 30 CFEDHN C#CCCN[C@@H](C)c1ccc(Br)cn1 ZINC000280289450 384962075 /nfs/dbraw/zinc/96/20/75/384962075.db2.gz FASAQQCMWKFPMM-VIFPVBQESA-N 0 3 253.143 2.518 20 30 CFEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(CC#N)cc1 ZINC000270325373 385056766 /nfs/dbraw/zinc/05/67/66/385056766.db2.gz ZJIOEQHEZBLHKI-LSDHHAIUSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1csc(CC)n1 ZINC000280552993 385059720 /nfs/dbraw/zinc/05/97/20/385059720.db2.gz FALBZXBVNOQMAL-FZMZJTMJSA-N 0 3 266.410 2.776 20 30 CFEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000280581852 385069765 /nfs/dbraw/zinc/06/97/65/385069765.db2.gz HPQHAOARLSVARF-DZGCQCFKSA-N 0 3 276.336 2.666 20 30 CFEDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000270376733 385077934 /nfs/dbraw/zinc/07/79/34/385077934.db2.gz LSUOJPLXLLHJBT-UHFFFAOYSA-N 0 3 282.347 2.509 20 30 CFEDHN C[C@@H](CNC(=O)c1ccc(CC#N)cc1)N1CCC[C@H](C)C1 ZINC000270299545 385045575 /nfs/dbraw/zinc/04/55/75/385045575.db2.gz YURXPTDIKWBMCA-GJZGRUSLSA-N 0 3 299.418 2.603 20 30 CFEDHN C=C[C@H](CC(=O)N1CCCN(CC)CC1)c1ccccc1 ZINC000270474038 385114667 /nfs/dbraw/zinc/11/46/67/385114667.db2.gz ZYGRVAOQOOJRAW-MRXNPFEDSA-N 0 3 286.419 2.901 20 30 CFEDHN C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000280623158 385087400 /nfs/dbraw/zinc/08/74/00/385087400.db2.gz LFHIBMLKDQUMHL-CXAGYDPISA-N 0 3 291.391 2.862 20 30 CFEDHN C#Cc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1 ZINC000289156499 197249235 /nfs/dbraw/zinc/24/92/35/197249235.db2.gz DGQBMDFISOAKRM-GFCCVEGCSA-N 0 3 253.349 2.561 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cccnc1Cl ZINC000280760630 385143165 /nfs/dbraw/zinc/14/31/65/385143165.db2.gz YQHMJDKQLZVUEP-AAEUAGOBSA-N 0 3 266.772 2.806 20 30 CFEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(F)cn1 ZINC000280800541 385159019 /nfs/dbraw/zinc/15/90/19/385159019.db2.gz KOGFZLCUAHXPTC-JMSVASOKSA-N 0 3 264.344 2.853 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CCO)C2CCCCC2)o1 ZINC000270598498 385160773 /nfs/dbraw/zinc/16/07/73/385160773.db2.gz ADMWXOXGZWNHRI-HNNXBMFYSA-N 0 3 262.353 2.572 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000347037685 533107413 /nfs/dbraw/zinc/10/74/13/533107413.db2.gz NUKFEVICWYCSJH-VIFPVBQESA-N 0 3 270.254 2.823 20 30 CFEDHN CC(C#N)C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000335975928 533107559 /nfs/dbraw/zinc/10/75/59/533107559.db2.gz CECCEXLREOLXIX-XHDPSFHLSA-N 0 3 254.333 2.825 20 30 CFEDHN C=C(C)CN(Cc1ccccc1)C[C@@]1(OC)CCOC1 ZINC000639121630 385219352 /nfs/dbraw/zinc/21/93/52/385219352.db2.gz TXTKBGPZFFNNDF-KRWDZBQOSA-N 0 3 275.392 2.870 20 30 CFEDHN C=CCN1CCC(Nc2ncnc3[nH]c(C)c(C)c32)CC1 ZINC000645164860 385220636 /nfs/dbraw/zinc/22/06/36/385220636.db2.gz SPFOAHFVLNUIIA-UHFFFAOYSA-N 0 3 285.395 2.637 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@](C)(OC)C1CC1 ZINC000639163022 385266686 /nfs/dbraw/zinc/26/66/86/385266686.db2.gz WEIKOEIAQHYLJM-KRWDZBQOSA-N 0 3 293.407 2.965 20 30 CFEDHN COc1ccc2c(c1)OC[C@@H](NCc1cccc(C#N)c1)C2 ZINC000270958048 385283574 /nfs/dbraw/zinc/28/35/74/385283574.db2.gz ACFDJIMCRWSHOX-INIZCTEOSA-N 0 3 294.354 2.660 20 30 CFEDHN CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000271706889 385388735 /nfs/dbraw/zinc/38/87/35/385388735.db2.gz UKSRTVOIEFFUTC-ZBFHGGJFSA-N 0 3 287.407 2.735 20 30 CFEDHN C=CCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282748035 385382366 /nfs/dbraw/zinc/38/23/66/385382366.db2.gz NPHHBJRGUWLEGU-AWEZNQCLSA-N 0 3 251.757 2.817 20 30 CFEDHN COc1cc(CN2CCC[C@@H]2CSC)ccc1C#N ZINC000282492842 385325263 /nfs/dbraw/zinc/32/52/63/385325263.db2.gz XQELKGHUQBSKNS-CQSZACIVSA-N 0 3 276.405 2.894 20 30 CFEDHN COc1cc(CN2CCC[C@H]2CSC)ccc1C#N ZINC000282492841 385325973 /nfs/dbraw/zinc/32/59/73/385325973.db2.gz XQELKGHUQBSKNS-AWEZNQCLSA-N 0 3 276.405 2.894 20 30 CFEDHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271923042 385402859 /nfs/dbraw/zinc/40/28/59/385402859.db2.gz FJTBMMTUTARZGN-GIPWTMENSA-N 0 3 296.411 2.895 20 30 CFEDHN C=CCn1cc(CNC2CCC(=C3CCC3)CC2)nn1 ZINC000639275278 385403760 /nfs/dbraw/zinc/40/37/60/385403760.db2.gz OWDHVBKXSZFWGE-UHFFFAOYSA-N 0 3 272.396 2.977 20 30 CFEDHN C#CCSCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271947743 385408053 /nfs/dbraw/zinc/40/80/53/385408053.db2.gz NUGYIZUTNOCSPR-LLVKDONJSA-N 0 3 262.353 2.714 20 30 CFEDHN C[C@@H](NC[C@@H](O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271961760 385412714 /nfs/dbraw/zinc/41/27/14/385412714.db2.gz RPYAQZPCWQYTCG-DYVFJYSZSA-N 0 3 298.361 2.952 20 30 CFEDHN C=CCCC1(CNCc2ncnn2CC)CCCC1 ZINC000639306228 385434432 /nfs/dbraw/zinc/43/44/32/385434432.db2.gz LVECNHLIAVKNCL-UHFFFAOYSA-N 0 3 262.401 2.914 20 30 CFEDHN C=CCN(CCc1ccco1)CCn1nc(C)cc1C ZINC000272214222 385476999 /nfs/dbraw/zinc/47/69/99/385476999.db2.gz AVJLAJNBQARYPF-UHFFFAOYSA-N 0 3 273.380 2.824 20 30 CFEDHN C=CCC(CC=C)C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272220035 385477766 /nfs/dbraw/zinc/47/77/66/385477766.db2.gz TVRNLSJSDHXGNY-CQSZACIVSA-N 0 3 278.440 2.944 20 30 CFEDHN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC000272286696 385498410 /nfs/dbraw/zinc/49/84/10/385498410.db2.gz DQNPAJWYABFBEN-CVEARBPZSA-N 0 3 272.392 2.787 20 30 CFEDHN C=CCN(CCc1ccco1)CCn1ccnc1C ZINC000272297680 385503182 /nfs/dbraw/zinc/50/31/82/385503182.db2.gz PFKVORAJOZTOHJ-UHFFFAOYSA-N 0 3 259.353 2.515 20 30 CFEDHN C=CCN(CCc1ccco1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000272332554 385512313 /nfs/dbraw/zinc/51/23/13/385512313.db2.gz WSKVZNRHAXIMEB-GOSISDBHSA-N 0 3 296.370 2.915 20 30 CFEDHN C=CCN(CCc1cnccn1)Cc1ccccc1 ZINC000639440484 385529363 /nfs/dbraw/zinc/52/93/63/385529363.db2.gz WIHNYHPKQFSMNM-UHFFFAOYSA-N 0 3 253.349 2.707 20 30 CFEDHN CC(C)CN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272382322 385524551 /nfs/dbraw/zinc/52/45/51/385524551.db2.gz WEKKLNREICJOBY-MRXNPFEDSA-N 0 3 285.391 2.641 20 30 CFEDHN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCCC[C@H]1O ZINC000272606279 385575041 /nfs/dbraw/zinc/57/50/41/385575041.db2.gz WCEOECUMPFWFRP-GOEBONIOSA-N 0 3 288.391 2.550 20 30 CFEDHN Cc1cc(C#N)nc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000286126284 385561898 /nfs/dbraw/zinc/56/18/98/385561898.db2.gz FLQRPTSXRRNPFZ-HZPDHXFCSA-N 0 3 293.374 2.514 20 30 CFEDHN C=CCC[C@@H](NCCOCCOC)c1ccco1 ZINC000286353710 385596258 /nfs/dbraw/zinc/59/62/58/385596258.db2.gz YXCHRBSQUZNBTK-CYBMUJFWSA-N 0 3 253.342 2.540 20 30 CFEDHN C=CCC[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1ccco1 ZINC000286369425 385599728 /nfs/dbraw/zinc/59/97/28/385599728.db2.gz ADADNVCMWYNRAM-KFWWJZLASA-N 0 3 279.380 2.522 20 30 CFEDHN C=CCC[C@H](NC[C@H](CO)[C@H]1CCOC1)c1ccco1 ZINC000286369428 385600182 /nfs/dbraw/zinc/60/01/82/385600182.db2.gz ADADNVCMWYNRAM-ZNMIVQPWSA-N 0 3 279.380 2.522 20 30 CFEDHN C=CCOCCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000272619805 385577681 /nfs/dbraw/zinc/57/76/81/385577681.db2.gz XXXFQGIHBLWKLA-CQSZACIVSA-N 0 3 264.325 2.838 20 30 CFEDHN C=CCC(CC=C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272629183 385579587 /nfs/dbraw/zinc/57/95/87/385579587.db2.gz BCYJPUQZMXPXNM-ZDUSSCGKSA-N 0 3 262.397 2.521 20 30 CFEDHN CN1CC[C@@H](Nc2cc(C#N)ccn2)[C@H]1c1ccccc1 ZINC000286420129 385616270 /nfs/dbraw/zinc/61/62/70/385616270.db2.gz HFQSYMQDZPBCKM-NVXWUHKLSA-N 0 3 278.359 2.811 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1CCC[C@H]1c1ccccc1 ZINC000272800442 385619607 /nfs/dbraw/zinc/61/96/07/385619607.db2.gz BHHZAOLRIIOKOR-JKSUJKDBSA-N 0 3 293.432 2.513 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000272895403 385645270 /nfs/dbraw/zinc/64/52/70/385645270.db2.gz UFOBMQADUIORIF-INIZCTEOSA-N 0 3 293.432 2.637 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H]1C[C@H](C)c2c1cccc2C ZINC000272898610 385645715 /nfs/dbraw/zinc/64/57/15/385645715.db2.gz URZFXFKZISODPK-DZGCQCFKSA-N 0 3 293.432 2.734 20 30 CFEDHN C=CCS(=O)(=O)CCN[C@@H](CCC)c1ccccc1 ZINC000272895354 385646079 /nfs/dbraw/zinc/64/60/79/385646079.db2.gz UDFXNCSGGUSFPR-HNNXBMFYSA-N 0 3 281.421 2.718 20 30 CFEDHN C[C@@H](Nc1cccc(F)c1C#N)C1=CCN(C)CC1 ZINC000272947630 385664005 /nfs/dbraw/zinc/66/40/05/385664005.db2.gz MMCHHBGHZYBJGL-LLVKDONJSA-N 0 3 259.328 2.760 20 30 CFEDHN Cc1ccnc(N2CCN(C3CCCCC3)CC2)c1C#N ZINC000273391604 385680707 /nfs/dbraw/zinc/68/07/07/385680707.db2.gz UZERCLWJNMMQHR-UHFFFAOYSA-N 0 3 284.407 2.716 20 30 CFEDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(C#N)ccc4F)[C@H]1[C@H]3C2 ZINC000286772181 385706502 /nfs/dbraw/zinc/70/65/02/385706502.db2.gz ZXIOWTZFVWAQPI-UOYADTOYSA-N 0 3 286.350 2.553 20 30 CFEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(C#N)ccn1 ZINC000286807938 385713887 /nfs/dbraw/zinc/71/38/87/385713887.db2.gz KYANFMUIUQJXGX-PBHICJAKSA-N 0 3 292.386 2.886 20 30 CFEDHN C[C@@H]1C[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000274248392 385748667 /nfs/dbraw/zinc/74/86/67/385748667.db2.gz JEEMNQCMWINERU-PWSUYJOCSA-N 0 3 286.335 2.504 20 30 CFEDHN C=CCN1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274263561 385752735 /nfs/dbraw/zinc/75/27/35/385752735.db2.gz OEPMCBBKRLVHGL-UHFFFAOYSA-N 0 3 286.335 2.529 20 30 CFEDHN C[C@H](NCc1ccc(C#N)s1)[C@H](O)c1ccccc1 ZINC000288614987 197127619 /nfs/dbraw/zinc/12/76/19/197127619.db2.gz RAJKTGOUTGJZPJ-NHYWBVRUSA-N 0 3 272.373 2.831 20 30 CFEDHN CN(C)[C@H](CNc1cccnc1C#N)c1ccc(F)cc1 ZINC000274133554 385725370 /nfs/dbraw/zinc/72/53/70/385725370.db2.gz WNRONPPXHMUFPZ-MRXNPFEDSA-N 0 3 284.338 2.807 20 30 CFEDHN C=CCC[C@H](O)CN1CCC(Oc2ccccc2F)CC1 ZINC000639979753 385802677 /nfs/dbraw/zinc/80/26/77/385802677.db2.gz GNTBYXVGZFTTGU-AWEZNQCLSA-N 0 3 293.382 2.996 20 30 CFEDHN C[C@@H]1C[C@H](N(C)c2nc(Cl)c(C#N)s2)CCN1C ZINC000287268852 385816903 /nfs/dbraw/zinc/81/69/03/385816903.db2.gz LFKVDONCONTDKX-RKDXNWHRSA-N 0 3 284.816 2.587 20 30 CFEDHN Cc1ccnc(N2CCC[C@H]2CN2CCCCC2)c1C#N ZINC000275051638 385922856 /nfs/dbraw/zinc/92/28/56/385922856.db2.gz OVWOVPSISQBQHY-HNNXBMFYSA-N 0 3 284.407 2.716 20 30 CFEDHN C=CCN(C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000275058079 385923962 /nfs/dbraw/zinc/92/39/62/385923962.db2.gz OLHCSKCFQKYSPY-GFCCVEGCSA-N 0 3 288.160 2.739 20 30 CFEDHN C=C(C)CCN[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000274801169 385873624 /nfs/dbraw/zinc/87/36/24/385873624.db2.gz FHIBXYQFJLTASR-WMLDXEAASA-N 0 3 251.395 2.662 20 30 CFEDHN C=C(C)[C@H](NCCN1CCOCC1)c1ccc(F)c(F)c1 ZINC000274828710 385879291 /nfs/dbraw/zinc/87/92/91/385879291.db2.gz AFKMXYHXFIRTDH-INIZCTEOSA-N 0 3 296.361 2.504 20 30 CFEDHN C=C(C)[C@@H](NCCN1CCOCC1)c1ccc(F)c(F)c1 ZINC000274828711 385879350 /nfs/dbraw/zinc/87/93/50/385879350.db2.gz AFKMXYHXFIRTDH-MRXNPFEDSA-N 0 3 296.361 2.504 20 30 CFEDHN C#CCCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274828566 385879364 /nfs/dbraw/zinc/87/93/64/385879364.db2.gz UKXRIAHFMOJVBL-MRXNPFEDSA-N 0 3 271.339 2.652 20 30 CFEDHN CCNC(=O)C1(CN[C@@H](C)c2cccc(C#N)c2)CCC1 ZINC000276815046 386051391 /nfs/dbraw/zinc/05/13/91/386051391.db2.gz FFNDBYAAFXDPJJ-ZDUSSCGKSA-N 0 3 285.391 2.515 20 30 CFEDHN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000277030631 386112770 /nfs/dbraw/zinc/11/27/70/386112770.db2.gz OBUMIBOFTWDLQE-FUHWJXTLSA-N 0 3 298.430 2.817 20 30 CFEDHN C=CC[C@H](CC)NCc1nccn1CC(F)(F)F ZINC000281244026 195164756 /nfs/dbraw/zinc/16/47/56/195164756.db2.gz FRSJXKFJYOQXDS-JTQLQIEISA-N 0 3 261.291 2.890 20 30 CFEDHN C=CCN1CCC(NC(=O)c2ccoc2CCC)CC1 ZINC000281246404 195166736 /nfs/dbraw/zinc/16/67/36/195166736.db2.gz MCVQCTNNVQTLAE-UHFFFAOYSA-N 0 3 276.380 2.612 20 30 CFEDHN C=CC[C@H](CO)N[C@@H]1CCCc2nc(CC)sc21 ZINC000186685434 260004735 /nfs/dbraw/zinc/00/47/35/260004735.db2.gz ZGZCIMPVBHNZHR-GHMZBOCLSA-N 0 3 266.410 2.610 20 30 CFEDHN C=CC1CCN([C@@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000111256979 262258103 /nfs/dbraw/zinc/25/81/03/262258103.db2.gz ZNCDHALNKYRPKP-AWEZNQCLSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CC1CCN([C@H](C)C(=O)NC(CC)CC)CC1 ZINC000111258999 262258990 /nfs/dbraw/zinc/25/89/90/262258990.db2.gz OFPKWINCOKPOSC-GFCCVEGCSA-N 0 3 252.402 2.578 20 30 CFEDHN COC(=O)CC1(CN[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000281560653 195288648 /nfs/dbraw/zinc/28/86/48/195288648.db2.gz DACQZAQXRGTIJV-LBPRGKRZSA-N 0 3 272.348 2.552 20 30 CFEDHN COc1cc(CN[C@@H](C)Cc2c(C)noc2C)ccc1C#N ZINC000281663030 195327717 /nfs/dbraw/zinc/32/77/17/195327717.db2.gz KWJXHDZHFUUXIP-NSHDSACASA-N 0 3 299.374 2.893 20 30 CFEDHN CC(C#N)C(=O)N[C@H](C)c1ccc(Br)s1 ZINC000336170126 533236240 /nfs/dbraw/zinc/23/62/40/533236240.db2.gz NDDAFKADXFGJDQ-NKWVEPMBSA-N 0 3 287.182 2.847 20 30 CFEDHN COCCCCN(Cc1ccccc1)C(=O)C(C)C#N ZINC000347085613 533255948 /nfs/dbraw/zinc/25/59/48/533255948.db2.gz ZWJBLYBYBUXXMX-AWEZNQCLSA-N 0 3 274.364 2.601 20 30 CFEDHN CO[C@](C)([C@@H](C)NCc1ccc(C#N)s1)C1CC1 ZINC000414499111 533346684 /nfs/dbraw/zinc/34/66/84/533346684.db2.gz JKGNFADZROTDET-QMTHXVAHSA-N 0 3 264.394 2.913 20 30 CFEDHN C/C=C/C=C\C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000491577597 533443578 /nfs/dbraw/zinc/44/35/78/533443578.db2.gz YGFBRUXSJDYBLE-IGTFLHFFSA-N 0 3 297.402 2.581 20 30 CFEDHN Cc1noc(C)c1CCNC1(c2cccc(C#N)c2)CC1 ZINC000341959690 130174568 /nfs/dbraw/zinc/17/45/68/130174568.db2.gz DLGSCJKLFINJGS-UHFFFAOYSA-N 0 3 281.359 2.985 20 30 CFEDHN N#Cc1ccc(CN2CCCCC[C@H]2CCO)c(F)c1 ZINC000342056079 130226084 /nfs/dbraw/zinc/22/60/84/130226084.db2.gz GZUARRVXUDUICK-HNNXBMFYSA-N 0 3 276.355 2.824 20 30 CFEDHN C=C(C)[C@@H](CO)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000683036858 542633335 /nfs/dbraw/zinc/63/33/35/542633335.db2.gz PNDBVOXGVIAZOV-MNOVXSKESA-N 0 3 265.319 2.834 20 30 CFEDHN C#CCCCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000192095550 130370686 /nfs/dbraw/zinc/37/06/86/130370686.db2.gz UCMFHNAFJSUQAN-SFHVURJKSA-N 0 3 298.430 2.961 20 30 CFEDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000342246687 130370746 /nfs/dbraw/zinc/37/07/46/130370746.db2.gz KYBLYHQRMGRLSL-TVQRCGJNSA-N 0 3 276.771 2.501 20 30 CFEDHN C[C@@](CO)(CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000342200451 130379133 /nfs/dbraw/zinc/37/91/33/130379133.db2.gz NAIAWDIFIUQBJM-SFHVURJKSA-N 0 3 298.361 2.737 20 30 CFEDHN CN(CC#Cc1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000192167788 130386073 /nfs/dbraw/zinc/38/60/73/130386073.db2.gz YHPLGEVZKVCGRI-IRXDYDNUSA-N 0 3 257.377 2.521 20 30 CFEDHN CN(CC#Cc1ccccc1)C[C@H]1CCCC[C@@H]1O ZINC000192167794 130386599 /nfs/dbraw/zinc/38/65/99/130386599.db2.gz YHPLGEVZKVCGRI-SJORKVTESA-N 0 3 257.377 2.521 20 30 CFEDHN C[C@@H]1CCN(CCOc2ccccc2C#N)CCS1 ZINC000192187510 130390793 /nfs/dbraw/zinc/39/07/93/130390793.db2.gz SYLRVJNTHXTNCE-CYBMUJFWSA-N 0 3 276.405 2.764 20 30 CFEDHN C[C@@](CO)(CNCc1cccc(C#N)c1)c1ccccc1 ZINC000342224684 130396060 /nfs/dbraw/zinc/39/60/60/130396060.db2.gz JCGYCUZKSCOACC-SFHVURJKSA-N 0 3 280.371 2.598 20 30 CFEDHN CCC#C[C@@H](C)N(C)CCCc1nccn1CCC ZINC000683225249 542656269 /nfs/dbraw/zinc/65/62/69/542656269.db2.gz ZZCRCHOUDRLZCU-OAHLLOKOSA-N 0 3 261.413 2.959 20 30 CFEDHN C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000248357317 131114734 /nfs/dbraw/zinc/11/47/34/131114734.db2.gz PIRDSOODZDSKAT-RYUDHWBXSA-N 0 3 282.347 2.839 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2nc(C)c(C)s2)CC1 ZINC000683546955 542696362 /nfs/dbraw/zinc/69/63/62/542696362.db2.gz FYUHDUYSAJAUOE-UHFFFAOYSA-N 0 3 293.436 2.530 20 30 CFEDHN CN(CCOc1ccccc1C#N)[C@@H](CO)c1ccccc1 ZINC000264067010 131389379 /nfs/dbraw/zinc/38/93/79/131389379.db2.gz YKZBZUOEIUADLO-KRWDZBQOSA-N 0 3 296.370 2.602 20 30 CFEDHN CN(C)[C@H](CNc1ccc(C#N)nc1)c1cccs1 ZINC000267325535 131854676 /nfs/dbraw/zinc/85/46/76/131854676.db2.gz AYWUKJJKHSIYNX-CYBMUJFWSA-N 0 3 272.377 2.730 20 30 CFEDHN C=C1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268516811 132020621 /nfs/dbraw/zinc/02/06/21/132020621.db2.gz DQYDZICVGFALDW-AWEZNQCLSA-N 0 3 286.375 2.560 20 30 CFEDHN COc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000268577398 132029467 /nfs/dbraw/zinc/02/94/67/132029467.db2.gz CBHRIYWGXUANLJ-GOSISDBHSA-N 0 3 296.370 2.732 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC(c2noc(C(C)C)n2)CC1 ZINC000268578805 132030361 /nfs/dbraw/zinc/03/03/61/132030361.db2.gz SNVYADKVTNMXLT-CQSZACIVSA-N 0 3 293.411 2.700 20 30 CFEDHN C[C@H](c1ccco1)N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268682373 132048131 /nfs/dbraw/zinc/04/81/31/132048131.db2.gz MPXCEVWSRYMWLZ-DOMZBBRYSA-N 0 3 270.332 2.878 20 30 CFEDHN C#CCNC(=O)CCN[C@H](CC)c1ccc(Cl)s1 ZINC000268821731 132072163 /nfs/dbraw/zinc/07/21/63/132072163.db2.gz POIUHCQWNDGIBS-SNVBAGLBSA-N 0 3 284.812 2.582 20 30 CFEDHN C#CCOc1ccc([C@H](C)NC[C@@H](O)c2ccc(C)o2)cc1 ZINC000268982927 132095285 /nfs/dbraw/zinc/09/52/85/132095285.db2.gz KUTBNTFZLZHFFC-WMLDXEAASA-N 0 3 299.370 2.984 20 30 CFEDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000269436747 132170373 /nfs/dbraw/zinc/17/03/73/132170373.db2.gz RJWMCFDWILROKV-GJZGRUSLSA-N 0 3 262.328 2.745 20 30 CFEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000269440563 132171349 /nfs/dbraw/zinc/17/13/49/132171349.db2.gz SKDNEEGIWODIBO-KGLIPLIRSA-N 0 3 289.398 2.907 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](CCO)c2ccccc2)c(F)c1 ZINC000269470494 132175782 /nfs/dbraw/zinc/17/57/82/132175782.db2.gz ZWIHFFISCMEMOC-MRXNPFEDSA-N 0 3 298.361 2.953 20 30 CFEDHN CCO[C@H]1C[C@@H](NCc2ccc(C#N)cc2F)C1(C)C ZINC000178791553 393449039 /nfs/dbraw/zinc/44/90/39/393449039.db2.gz BNWGSTXOFZSLKP-CABCVRRESA-N 0 3 276.355 2.991 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccco2)C1 ZINC000374002751 393478985 /nfs/dbraw/zinc/47/89/85/393478985.db2.gz NBXMKUBDKLNWSL-LSDHHAIUSA-N 0 3 288.391 2.658 20 30 CFEDHN C=CCCCCCN[C@]1(CO)CCOc2ccccc21 ZINC000374140150 393485246 /nfs/dbraw/zinc/48/52/46/393485246.db2.gz DGCXWNDLSZOVTK-KRWDZBQOSA-N 0 3 275.392 2.993 20 30 CFEDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc(C#N)cc1 ZINC000186279728 393543256 /nfs/dbraw/zinc/54/32/56/393543256.db2.gz HKAVCRVKNHMTKO-AWEZNQCLSA-N 0 3 285.391 2.553 20 30 CFEDHN C=CCCCN[C@@H](C[S@](C)=O)c1ccccc1 ZINC000183182039 393516675 /nfs/dbraw/zinc/51/66/75/393516675.db2.gz KGKVGLMGKGHGTC-YOEHRIQHSA-N 0 3 251.395 2.662 20 30 CFEDHN C=CC[C@H](CO)NCc1ccc(OC(F)F)c(Cl)c1 ZINC000184269437 393526200 /nfs/dbraw/zinc/52/62/00/393526200.db2.gz IMILNINFVZSOAU-SNVBAGLBSA-N 0 3 291.725 2.968 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@H]1CNc2ccnn2C1 ZINC000684194652 542773535 /nfs/dbraw/zinc/77/35/35/542773535.db2.gz IPZJCEIPNCCNLK-MRXNPFEDSA-N 0 3 282.391 2.613 20 30 CFEDHN CC[C@H](C#N)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000380962993 393559027 /nfs/dbraw/zinc/55/90/27/393559027.db2.gz XIKYKAVYOJBRIJ-IAGOWNOFSA-N 0 3 299.418 2.565 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)C1CCCC1)C(C)C ZINC000046049347 393574664 /nfs/dbraw/zinc/57/46/64/393574664.db2.gz CUZJBPJCJFIBAD-INIZCTEOSA-N 0 3 278.440 2.991 20 30 CFEDHN Cc1cc(Br)ccc1CNC(=O)C(C)C#N ZINC000334228776 393583047 /nfs/dbraw/zinc/58/30/47/393583047.db2.gz OXPLWHZMCPIGEI-VIFPVBQESA-N 0 3 281.153 2.533 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000334229348 393583439 /nfs/dbraw/zinc/58/34/39/393583439.db2.gz IDRTXEYJMGURMB-CUTVHNCCSA-N 0 3 254.333 2.850 20 30 CFEDHN Cc1cccnc1CCNCc1cc(C#N)cs1 ZINC000405041753 393622554 /nfs/dbraw/zinc/62/25/54/393622554.db2.gz SMSCASKRKIMKPH-UHFFFAOYSA-N 0 3 257.362 2.656 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000335077615 393639066 /nfs/dbraw/zinc/63/90/66/393639066.db2.gz UQGGYKRPPLUXFW-OLZOCXBDSA-N 0 3 252.402 2.530 20 30 CFEDHN CC(C#N)C(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000335159516 393648595 /nfs/dbraw/zinc/64/85/95/393648595.db2.gz NMDXONUWNGRMCT-NSHDSACASA-N 0 3 292.329 2.906 20 30 CFEDHN CCOCCOCCN(C)CCC1(C#N)CCCCC1 ZINC000411624880 393731966 /nfs/dbraw/zinc/73/19/66/393731966.db2.gz ZAWUWCXNBJBZHJ-UHFFFAOYSA-N 0 3 282.428 2.835 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(CC)cn1 ZINC000411649114 393734586 /nfs/dbraw/zinc/73/45/86/393734586.db2.gz QSQPSXPJNPTUNP-UHFFFAOYSA-N 0 3 261.413 2.584 20 30 CFEDHN COC(=O)[C@@H]1CN([C@@H](C)CCC#N)C[C@@H]1c1ccccc1 ZINC000411805357 393749993 /nfs/dbraw/zinc/74/99/93/393749993.db2.gz HGYCQQHSEXENPV-NUEKZKHPSA-N 0 3 286.375 2.567 20 30 CFEDHN Cc1ccoc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000336863239 393751698 /nfs/dbraw/zinc/75/16/98/393751698.db2.gz AEKVHQSYFKTCSC-UHFFFAOYSA-N 0 3 297.358 2.920 20 30 CFEDHN C[C@H](CCC#N)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000411818683 393752174 /nfs/dbraw/zinc/75/21/74/393752174.db2.gz PNJFJGPHHLWEMZ-DOMZBBRYSA-N 0 3 266.385 2.732 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CCSC2(CCC2)CC1 ZINC000411863322 393757642 /nfs/dbraw/zinc/75/76/42/393757642.db2.gz CBGANKLMYUNZEU-UHFFFAOYSA-N 0 3 294.464 2.549 20 30 CFEDHN CC(C#N)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000335725416 393693778 /nfs/dbraw/zinc/69/37/78/393693778.db2.gz AFJHTANOBIYEIR-WFASDCNBSA-N 0 3 271.364 2.576 20 30 CFEDHN CO[C@](C)([C@@H](C)NCC#Cc1ccccc1)C1CC1 ZINC000411976999 393758899 /nfs/dbraw/zinc/75/88/99/393758899.db2.gz XKVUBEOSYXTZBE-RHSMWYFYSA-N 0 3 257.377 2.831 20 30 CFEDHN C=CCOCCCN1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000411980065 393759578 /nfs/dbraw/zinc/75/95/78/393759578.db2.gz FTVHNYSXNQXSSC-QGZVFWFLSA-N 0 3 288.435 2.785 20 30 CFEDHN COC1([C@H](C)NCC#Cc2ccc(F)cc2)CCC1 ZINC000412018581 393759941 /nfs/dbraw/zinc/75/99/41/393759941.db2.gz BUWJGSBSQNBFJN-ZDUSSCGKSA-N 0 3 261.340 2.724 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000335994535 393713682 /nfs/dbraw/zinc/71/36/82/393713682.db2.gz RBMGMWNXQOLPOM-RHSMWYFYSA-N 0 3 297.402 2.706 20 30 CFEDHN CC1CCC(N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000336116941 393719051 /nfs/dbraw/zinc/71/90/51/393719051.db2.gz YGSOQZNDHRMNIT-MNAZLIDISA-N 0 3 275.440 2.875 20 30 CFEDHN COC(=O)[C@H]1CCN(CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411620417 393730722 /nfs/dbraw/zinc/73/07/22/393730722.db2.gz PKNCLZQCHHXFFD-KGLIPLIRSA-N 0 3 278.396 2.734 20 30 CFEDHN C[C@@H]1CCC[C@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000340032646 393834462 /nfs/dbraw/zinc/83/44/62/393834462.db2.gz AUBJPVYIUSRSSY-XOKHGSTOSA-N 0 3 295.386 2.793 20 30 CFEDHN C=CCCC(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000338602743 393793244 /nfs/dbraw/zinc/79/32/44/393793244.db2.gz IDNWWDICZFESIC-QGZVFWFLSA-N 0 3 286.419 2.906 20 30 CFEDHN N#CCCCOc1cccc(CNC[C@@H]2CCCO2)c1 ZINC000237819875 393795207 /nfs/dbraw/zinc/79/52/07/393795207.db2.gz YLMACNXOVRMBGC-INIZCTEOSA-N 0 3 274.364 2.638 20 30 CFEDHN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000093480843 393799577 /nfs/dbraw/zinc/79/95/77/393799577.db2.gz LDXIVIPQOKGVHQ-OLZOCXBDSA-N 0 3 268.364 2.684 20 30 CFEDHN C=CCOCCN1CCC(OCCC(C)C)CC1 ZINC000338913620 393803604 /nfs/dbraw/zinc/80/36/04/393803604.db2.gz WTJZZKDJCMOJFA-UHFFFAOYSA-N 0 3 255.402 2.716 20 30 CFEDHN C=CCOCCN(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000339046040 393812334 /nfs/dbraw/zinc/81/23/34/393812334.db2.gz UXUZNABRLDDRDW-CZUORRHYSA-N 0 3 261.365 2.513 20 30 CFEDHN C=CCOCCN(CCCO)Cc1cccc(Cl)c1 ZINC000339041156 393812733 /nfs/dbraw/zinc/81/27/33/393812733.db2.gz LSMOVAROTWBJKB-UHFFFAOYSA-N 0 3 283.799 2.727 20 30 CFEDHN C=CCOCCN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000339059683 393813673 /nfs/dbraw/zinc/81/36/73/393813673.db2.gz HQQBVCKSHIBSIT-IAGOWNOFSA-N 0 3 288.435 2.784 20 30 CFEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000339069739 393815219 /nfs/dbraw/zinc/81/52/19/393815219.db2.gz VECZEZCFVMXLHU-YWPYICTPSA-N 0 3 283.375 2.914 20 30 CFEDHN C=CC[C@@H](CO)CNCc1conc1Cc1ccccc1 ZINC000339337714 393822901 /nfs/dbraw/zinc/82/29/01/393822901.db2.gz FJRFHDNAFLEORD-OAHLLOKOSA-N 0 3 286.375 2.540 20 30 CFEDHN C=CCCC[C@@H](C)NC(=O)NCCN1CCC[C@H](C)C1 ZINC000342846086 393871879 /nfs/dbraw/zinc/87/18/79/393871879.db2.gz ICRJFEINIDWEAG-LSDHHAIUSA-N 0 3 281.444 2.762 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000345609713 393912199 /nfs/dbraw/zinc/91/21/99/393912199.db2.gz WKWCSAITYOBBRF-UONOGXRCSA-N 0 3 264.413 2.579 20 30 CFEDHN C=CCN(CC1CCCCC1)C(=O)C1CCN(C)CC1 ZINC000345629451 393912652 /nfs/dbraw/zinc/91/26/52/393912652.db2.gz NIJRVDWSCLQSKB-UHFFFAOYSA-N 0 3 278.440 2.923 20 30 CFEDHN CC(C#N)C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000345682507 393913759 /nfs/dbraw/zinc/91/37/59/393913759.db2.gz ZMEGFQUFJSIXQV-CHWSQXEVSA-N 0 3 274.389 2.787 20 30 CFEDHN CCCC(=O)NC[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345724621 393915017 /nfs/dbraw/zinc/91/50/17/393915017.db2.gz HINHGDSAZYMEGG-AWEZNQCLSA-N 0 3 279.428 2.555 20 30 CFEDHN CCCNC(=O)C1(NCCC(C)(C)C#N)CCCCC1 ZINC000345727443 393915170 /nfs/dbraw/zinc/91/51/70/393915170.db2.gz KYRKCMCOJGWRIK-UHFFFAOYSA-N 0 3 279.428 2.745 20 30 CFEDHN C[C@H](NC(=O)C(C#N)c1cc(C(F)(F)F)ccn1)C1CC1 ZINC000416401584 393916027 /nfs/dbraw/zinc/91/60/27/393916027.db2.gz UKNMUFJBVBVXIX-KWQFWETISA-N 0 3 297.280 2.622 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCCN(C)C[C@H]1CC ZINC000684823365 542858330 /nfs/dbraw/zinc/85/83/30/542858330.db2.gz RXJBYNFLTCYNBL-OAHLLOKOSA-N 0 3 264.413 2.698 20 30 CFEDHN CC(C)[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346271643 393925360 /nfs/dbraw/zinc/92/53/60/393925360.db2.gz GVMUZTBZCQVQGI-GJZGRUSLSA-N 0 3 291.439 2.695 20 30 CFEDHN C[C@@H]1CN(CCC(C)(C)C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000347075630 393936564 /nfs/dbraw/zinc/93/65/64/393936564.db2.gz FFEFUATZSMAJKW-IIAWOOMASA-N 0 3 280.412 2.585 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000416693188 393942556 /nfs/dbraw/zinc/94/25/56/393942556.db2.gz RWLNJHDZDFSGFR-SOUVJXGZSA-N 0 3 293.455 2.713 20 30 CFEDHN COC(=O)[C@H](C)CN(CCCC#N)Cc1ccccc1 ZINC000121096109 393947888 /nfs/dbraw/zinc/94/78/88/393947888.db2.gz MHVKQLXFAGCILE-CQSZACIVSA-N 0 3 274.364 2.601 20 30 CFEDHN C=C[C@](C)(O)CC(=O)Nc1cccc(CN(CC)CC)c1 ZINC000346151482 393922014 /nfs/dbraw/zinc/92/20/14/393922014.db2.gz PTGXFPPRPUBRPR-KRWDZBQOSA-N 0 3 290.407 2.794 20 30 CFEDHN C=CCC(CC=C)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346195584 393922751 /nfs/dbraw/zinc/92/27/51/393922751.db2.gz QEVPERGCLBSKGB-HLLBOEOZSA-N 0 3 290.451 2.944 20 30 CFEDHN CC(C)[C@@H]1CN(c2ccc(Cl)cc2C#N)CCN1C ZINC000487041100 393980893 /nfs/dbraw/zinc/98/08/93/393980893.db2.gz GSDKLVOELWUBTN-HNNXBMFYSA-N 0 3 277.799 2.988 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCC ZINC000123543322 393982797 /nfs/dbraw/zinc/98/27/97/393982797.db2.gz KEAZTWAMAWIIKR-CYBMUJFWSA-N 0 3 280.437 2.993 20 30 CFEDHN C=C(C)CCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000351732086 394006670 /nfs/dbraw/zinc/00/66/70/394006670.db2.gz ZZAJDDWOMGRFGF-WDEREUQCSA-N 0 3 251.292 2.730 20 30 CFEDHN C[C@@H]1C[C@@H]1N1CCN(c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000488719430 394038671 /nfs/dbraw/zinc/03/86/71/394038671.db2.gz YERCDNDOWWPFMB-XNJGSVPQSA-N 0 3 287.382 2.864 20 30 CFEDHN C=C[C@@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000489517946 394041931 /nfs/dbraw/zinc/04/19/31/394041931.db2.gz VMQJPHXRMNPVIV-OAHLLOKOSA-N 0 3 256.349 2.978 20 30 CFEDHN CO[C@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC000275282633 394046787 /nfs/dbraw/zinc/04/67/87/394046787.db2.gz WJFHKVSVQOMFCK-CVEARBPZSA-N 0 3 261.340 2.724 20 30 CFEDHN CCN1CCCC[C@H]1CNC(=O)/C=C\c1ccc(C#N)cc1 ZINC000491752606 394058193 /nfs/dbraw/zinc/05/81/93/394058193.db2.gz ULXIXEHBKIJRRO-MQNTZWLQSA-N 0 3 297.402 2.562 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(CCC)CC(C)C ZINC000355436160 394065346 /nfs/dbraw/zinc/06/53/46/394065346.db2.gz POWCGAANKVOXRE-UHFFFAOYSA-N 0 3 254.418 2.779 20 30 CFEDHN C=CCN1CC[C@@H](N[C@H](c2ccccc2)C2CC2)C1=O ZINC000281969144 394102817 /nfs/dbraw/zinc/10/28/17/394102817.db2.gz KYZJWEVOOPVOED-HZPDHXFCSA-N 0 3 270.376 2.514 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)/C=C/c2cnccc2C)CC1 ZINC000492530206 394070284 /nfs/dbraw/zinc/07/02/84/394070284.db2.gz FVXDUWVMZWBLNY-SNAWJCMRSA-N 0 3 299.418 2.560 20 30 CFEDHN CN(C)C/C=C/C(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000492600139 394072799 /nfs/dbraw/zinc/07/27/99/394072799.db2.gz ZANXJHGMMSMECO-VOTSOKGWSA-N 0 3 291.439 2.719 20 30 CFEDHN C=CCN(C)CCN(CC)Cc1ccc(C#N)cc1OC ZINC000439011203 394094591 /nfs/dbraw/zinc/09/45/91/394094591.db2.gz YLFUHEMERZNICS-UHFFFAOYSA-N 0 3 287.407 2.507 20 30 CFEDHN C=CCN1CC[C@@H](N[C@@H](CCC)c2ccccc2)C1=O ZINC000281934153 394097678 /nfs/dbraw/zinc/09/76/78/394097678.db2.gz IGDKISRUJGWVQW-JKSUJKDBSA-N 0 3 272.392 2.904 20 30 CFEDHN COC[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000487892489 394028030 /nfs/dbraw/zinc/02/80/30/394028030.db2.gz DBKHCTAZVKYRHO-HNNXBMFYSA-N 0 3 258.365 2.725 20 30 CFEDHN Cc1cccc(NCCNCc2cc(C#N)cs2)n1 ZINC000133509867 394178168 /nfs/dbraw/zinc/17/81/68/394178168.db2.gz YQXFSIZQLQNWDA-UHFFFAOYSA-N 0 3 272.377 2.525 20 30 CFEDHN C=C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359002893 394120248 /nfs/dbraw/zinc/12/02/48/394120248.db2.gz AANPXRIYYXTLGK-DZKIICNBSA-N 0 3 287.407 2.523 20 30 CFEDHN CC[C@H](C)N[C@H](CNC(=O)[C@](C)(C#N)CC)c1ccco1 ZINC000359541423 394138338 /nfs/dbraw/zinc/13/83/38/394138338.db2.gz DKGPZNCPELPRGK-ZENOOKHLSA-N 0 3 291.395 2.765 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2cccc(Cn3cccn3)c2)C1 ZINC000442708596 394139543 /nfs/dbraw/zinc/13/95/43/394139543.db2.gz JUBLLWLCWOSXAD-PBHICJAKSA-N 0 3 280.375 2.713 20 30 CFEDHN C[C@@H]1CCC[C@H](CN[C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000360674042 394157877 /nfs/dbraw/zinc/15/78/77/394157877.db2.gz FDKKHBVJEVKVPL-BQGCOEIASA-N 0 3 299.418 2.747 20 30 CFEDHN C=CCC[C@H](N[C@@H](C)CN1CCN(C)CC1)c1ccco1 ZINC000285939478 394169048 /nfs/dbraw/zinc/16/90/48/394169048.db2.gz FQJFBUNANMMYSD-HOTGVXAUSA-N 0 3 291.439 2.512 20 30 CFEDHN CC[C@H](C)[C@@](C)(O)CNCc1ccc(C#N)c(F)c1 ZINC000421368962 394205191 /nfs/dbraw/zinc/20/51/91/394205191.db2.gz VGWGMHKSCXJPHC-NHYWBVRUSA-N 0 3 264.344 2.584 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(C)C ZINC000421384798 394214437 /nfs/dbraw/zinc/21/44/37/394214437.db2.gz PGUOGWQVXJEODV-HUUCEWRRSA-N 0 3 264.344 2.582 20 30 CFEDHN CC[C@H](C)CN1CCC(C#N)(c2ccccn2)CC1 ZINC000367057789 394250463 /nfs/dbraw/zinc/25/04/63/394250463.db2.gz NDIAWSWQXWLDIG-AWEZNQCLSA-N 0 3 257.381 2.985 20 30 CFEDHN N#Cc1ccc(CN[C@@H](CO)CC2CCCC2)cc1F ZINC000421324231 394188220 /nfs/dbraw/zinc/18/82/20/394188220.db2.gz BPMWSTRFOJAUAO-OAHLLOKOSA-N 0 3 276.355 2.728 20 30 CFEDHN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1cn[nH]c1 ZINC000286075709 394188424 /nfs/dbraw/zinc/18/84/24/394188424.db2.gz LHDGENJINRYXPL-CYBMUJFWSA-N 0 3 295.390 2.601 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)C2CCCCC2)cc1F ZINC000421325879 394188665 /nfs/dbraw/zinc/18/86/65/394188665.db2.gz MMUJOOOZOZLTAM-MRXNPFEDSA-N 0 3 276.355 2.728 20 30 CFEDHN N#Cc1ccc(CNC[C@@H](O)CCc2ccccc2)cc1F ZINC000421340279 394191804 /nfs/dbraw/zinc/19/18/04/394191804.db2.gz ICLPRAWUHAOWHV-KRWDZBQOSA-N 0 3 298.361 2.781 20 30 CFEDHN C[C@H](CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000421349057 394193992 /nfs/dbraw/zinc/19/39/92/394193992.db2.gz XFQYVDJRUXOODR-MRVPVSSYSA-N 0 3 260.234 2.985 20 30 CFEDHN Clc1ccc(C#CCN2CC[C@@]3(CCOC3)C2)cc1 ZINC000153730377 394290064 /nfs/dbraw/zinc/29/00/64/394290064.db2.gz IWOQNZDLNJIISZ-MRXNPFEDSA-N 0 3 275.779 2.804 20 30 CFEDHN C#CCN(C)CCCN[C@@H](c1ccco1)c1ccccc1 ZINC000294976204 394295991 /nfs/dbraw/zinc/29/59/91/394295991.db2.gz KHNPSGICGACLSH-GOSISDBHSA-N 0 3 282.387 2.914 20 30 CFEDHN Fc1ccc(C#CCN2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000372158049 394307319 /nfs/dbraw/zinc/30/73/19/394307319.db2.gz SKRJPCBOVZQIIA-HOTGVXAUSA-N 0 3 273.351 2.536 20 30 CFEDHN CCN(C)C(=O)[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000296341345 394308184 /nfs/dbraw/zinc/30/81/84/394308184.db2.gz HVRAQORBLDBBNE-BBRMVZONSA-N 0 3 287.407 2.712 20 30 CFEDHN CC#CCCN(CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000155663787 394321019 /nfs/dbraw/zinc/32/10/19/394321019.db2.gz FFFYYIRLGZRJRS-UHFFFAOYSA-N 0 3 295.329 2.743 20 30 CFEDHN CC(C)(C)OC(=O)[C@H]1CCCN(CCCSCC#N)C1 ZINC000156643616 394336721 /nfs/dbraw/zinc/33/67/21/394336721.db2.gz YELFDGJBGZQMRT-ZDUSSCGKSA-N 0 3 298.452 2.687 20 30 CFEDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)c(F)c1 ZINC000453372638 394391921 /nfs/dbraw/zinc/39/19/21/394391921.db2.gz GQDIQPSXLJZXSL-LLVKDONJSA-N 0 3 292.354 2.907 20 30 CFEDHN C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000453335886 394386990 /nfs/dbraw/zinc/38/69/90/394386990.db2.gz DZKXUKXYZMCFCD-KFNAQCHYSA-N 0 3 276.355 2.899 20 30 CFEDHN CC(C)OCCN1CCC(/N=C/c2ccccc2O)CC1 ZINC000178298393 394387120 /nfs/dbraw/zinc/38/71/20/394387120.db2.gz LZGRYRARLPRDLR-QGOAFFKASA-N 0 3 290.407 2.701 20 30 CFEDHN Cc1cnc(CCN[C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000453393751 394395653 /nfs/dbraw/zinc/39/56/53/394395653.db2.gz GEVONFPAHHNSOP-LBPRGKRZSA-N 0 3 284.338 2.689 20 30 CFEDHN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@]1(C)CCCO1 ZINC000453394031 394395736 /nfs/dbraw/zinc/39/57/36/394395736.db2.gz VPHQTSUFFQUFMZ-XHDPSFHLSA-N 0 3 262.328 2.745 20 30 CFEDHN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(SC)cc1 ZINC000685007569 542886755 /nfs/dbraw/zinc/88/67/55/542886755.db2.gz VTYCKEDLOXQSMV-BXUZGUMPSA-N 0 3 251.395 2.996 20 30 CFEDHN C[C@H](NCCN1CC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000543763039 394743545 /nfs/dbraw/zinc/74/35/45/394743545.db2.gz XRKYLXCDUJGROT-STQMWFEESA-N 0 3 275.371 2.690 20 30 CFEDHN Cc1oc(NC(=O)[C@@H](C)NC2(C3CC3)CC2)c(C#N)c1C ZINC000541595825 394677444 /nfs/dbraw/zinc/67/74/44/394677444.db2.gz YZJQWFPRNCPXDP-SNVBAGLBSA-N 0 3 287.363 2.627 20 30 CFEDHN C=CCOCCNCc1cc(F)cc(Br)c1 ZINC000304279160 413077036 /nfs/dbraw/zinc/07/70/36/413077036.db2.gz WZPKMUIBWNAGBE-UHFFFAOYSA-N 0 3 288.160 2.880 20 30 CFEDHN C=C(C)COc1cc(CNC[C@@H]2CCCO2)ccc1OC ZINC000057959033 542961060 /nfs/dbraw/zinc/96/10/60/542961060.db2.gz DQWFLVUCFSOLFW-HNNXBMFYSA-N 0 3 291.391 2.919 20 30 CFEDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cccc(C#N)c1 ZINC000548125739 394913430 /nfs/dbraw/zinc/91/34/30/394913430.db2.gz PCSUTLHFNOJOEX-INIZCTEOSA-N 0 3 285.391 2.505 20 30 CFEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000555414401 394972478 /nfs/dbraw/zinc/97/24/78/394972478.db2.gz WRFFCJDFVKEZAT-LESCRADOSA-N 0 3 282.387 2.852 20 30 CFEDHN CN1CCC[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1=O ZINC000555414423 394972597 /nfs/dbraw/zinc/97/25/97/394972597.db2.gz ZUFHXPXDJRDUBR-IAGOWNOFSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCCCCN1CCN(C(=O)C2CC2)CC1(C)C ZINC000564776074 395082113 /nfs/dbraw/zinc/08/21/13/395082113.db2.gz PLLRIONCPZWACO-UHFFFAOYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCOCCNCc1cn(C)nc1-c1ccc(C)o1 ZINC000647196507 395216942 /nfs/dbraw/zinc/21/69/42/395216942.db2.gz BBFCYSKPACVBEU-UHFFFAOYSA-N 0 3 289.379 2.671 20 30 CFEDHN C=C(C)[C@H](CO)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000649287199 395467589 /nfs/dbraw/zinc/46/75/89/395467589.db2.gz NZJXCNMNSLVZTK-KRWDZBQOSA-N 0 3 288.435 2.520 20 30 CFEDHN C=C(C)[C@@H](CO)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000649344472 395476143 /nfs/dbraw/zinc/47/61/43/395476143.db2.gz FPFSNBFAYLASRC-DAWZGUTISA-N 0 3 294.483 2.756 20 30 CFEDHN CC#CCCN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000649779340 395570335 /nfs/dbraw/zinc/57/03/35/395570335.db2.gz LHTCGXZSJBOUNS-ZFWWWQNUSA-N 0 3 287.407 2.861 20 30 CFEDHN C=CC[C@@H](CO)N[C@H]1CCSc2c(F)cccc21 ZINC000186683660 543053542 /nfs/dbraw/zinc/05/35/42/543053542.db2.gz ULWHWDURTBIIDA-GWCFXTLKSA-N 0 3 267.369 2.889 20 30 CFEDHN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000041515887 397554671 /nfs/dbraw/zinc/55/46/71/397554671.db2.gz FYYJKXYXIUWMMH-GFCCVEGCSA-N 0 3 284.340 2.877 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C1CC1)C1CCCCC1 ZINC000047903990 397588164 /nfs/dbraw/zinc/58/81/64/397588164.db2.gz JSHHGZUXGMDRED-UHFFFAOYSA-N 0 3 276.424 2.984 20 30 CFEDHN CCOC[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000135080304 397604041 /nfs/dbraw/zinc/60/40/41/397604041.db2.gz YPBRDYUBVBDCBU-OAHLLOKOSA-N 0 3 288.391 2.815 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)CCCC#N)N(C)C ZINC000360577637 397660253 /nfs/dbraw/zinc/66/02/53/397660253.db2.gz ARHUEMNPADYPEC-YOEHRIQHSA-N 0 3 287.407 2.796 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC1CCN(CC)CC1 ZINC000663455088 413212928 /nfs/dbraw/zinc/21/29/28/413212928.db2.gz XXGCMVRALZPPRZ-UHFFFAOYSA-N 0 3 267.417 2.515 20 30 CFEDHN CO[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[C@H]1C ZINC000190048510 286074229 /nfs/dbraw/zinc/07/42/29/286074229.db2.gz DODVARXCKXFYSR-WWGRRREGSA-N 0 3 258.365 2.976 20 30 CFEDHN Cc1cccnc1OC1CCN([C@@H](C)CCC#N)CC1 ZINC000411637150 413233951 /nfs/dbraw/zinc/23/39/51/413233951.db2.gz FNSDTFNLNPCQQQ-AWEZNQCLSA-N 0 3 273.380 2.926 20 30 CFEDHN C[C@H]1CC[C@@H](N(CCO)Cc2cc(C#N)cs2)C1 ZINC000356373460 155243845 /nfs/dbraw/zinc/24/38/45/155243845.db2.gz VRZUXSPNIXUYEJ-WCQYABFASA-N 0 3 264.394 2.603 20 30 CFEDHN CC[C@@](C)(CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356432205 155264195 /nfs/dbraw/zinc/26/41/95/155264195.db2.gz FXOPBSOEHKWSJW-ZDUSSCGKSA-N 0 3 286.297 2.828 20 30 CFEDHN Cc1ccc([C@H]2CSCCN2C(=O)C(C)C#N)cc1 ZINC000336054627 292274579 /nfs/dbraw/zinc/27/45/79/292274579.db2.gz PLKLFGAEZKBQEQ-GXTWGEPZSA-N 0 3 274.389 2.771 20 30 CFEDHN C=CCN1CCC(Nc2nccc3c(N)cccc32)CC1 ZINC000663569013 413274796 /nfs/dbraw/zinc/27/47/96/413274796.db2.gz DGTIJTJDSOBKPR-UHFFFAOYSA-N 0 3 282.391 2.879 20 30 CFEDHN C=CCN(CCOC)CCc1nsc2ccccc21 ZINC000660403865 413289140 /nfs/dbraw/zinc/28/91/40/413289140.db2.gz SZFVNQBBHQKVLS-UHFFFAOYSA-N 0 3 276.405 2.973 20 30 CFEDHN CC[C@@H](C)N[C@@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000343253121 154156406 /nfs/dbraw/zinc/15/64/06/154156406.db2.gz RJNFHDFEFWJYLJ-OCCSQVGLSA-N 0 3 284.363 2.509 20 30 CFEDHN C[C@@H](NC[C@@H](CO)c1cccnc1)c1ccc(C#N)c(F)c1 ZINC000348249426 154379430 /nfs/dbraw/zinc/37/94/30/154379430.db2.gz YUYCSUBIQFPDAU-WBMJQRKESA-N 0 3 299.349 2.519 20 30 CFEDHN C[C@@H](NC[C@H](CO)c1cccnc1)c1ccc(C#N)c(F)c1 ZINC000348249425 154379468 /nfs/dbraw/zinc/37/94/68/154379468.db2.gz YUYCSUBIQFPDAU-MLGOLLRUSA-N 0 3 299.349 2.519 20 30 CFEDHN C[C@@H](NC[C@@H](C)C[C@H](C)O)c1ccc(C#N)cc1F ZINC000358597784 155816608 /nfs/dbraw/zinc/81/66/08/155816608.db2.gz XUDSDZDWNQYPDB-SDDRHHMPSA-N 0 3 264.344 2.755 20 30 CFEDHN CCN(Cc1ccc(C#N)c(C)c1)C[C@@H]1CCCO1 ZINC000362908901 156111812 /nfs/dbraw/zinc/11/18/12/156111812.db2.gz LQOPRUDFNLZTTI-INIZCTEOSA-N 0 3 258.365 2.868 20 30 CFEDHN CC[C@@H](C)[C@H](CNCc1cc(C#N)cs1)OC ZINC000362977616 156134349 /nfs/dbraw/zinc/13/43/49/156134349.db2.gz SFNVQZPRDZZRDG-MFKMUULPSA-N 0 3 252.383 2.770 20 30 CFEDHN N#Cc1cccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000373633737 157015768 /nfs/dbraw/zinc/01/57/68/157015768.db2.gz KLIUZRGJWPRXOB-MAUKXSAKSA-N 0 3 278.355 2.869 20 30 CFEDHN Cc1ccc(C(=O)N2CCCC23CCN(C)CC3)cc1C#N ZINC000374076056 157064807 /nfs/dbraw/zinc/06/48/07/157064807.db2.gz ZGJSKZLZTYKBHW-UHFFFAOYSA-N 0 3 297.402 2.567 20 30 CFEDHN CCOCCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374305913 157097724 /nfs/dbraw/zinc/09/77/24/157097724.db2.gz AURKMUKXIQOQBG-UHFFFAOYSA-N 0 3 256.349 2.684 20 30 CFEDHN Cc1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1C#N ZINC000375825598 157291943 /nfs/dbraw/zinc/29/19/43/157291943.db2.gz QDNCUKOQOZJPDR-PBHICJAKSA-N 0 3 297.402 2.566 20 30 CFEDHN C=CCCCN(C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000653558251 413369437 /nfs/dbraw/zinc/36/94/37/413369437.db2.gz YQZKRDOOLWZEJT-UHFFFAOYSA-N 0 3 289.301 2.816 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000651273556 413390737 /nfs/dbraw/zinc/39/07/37/413390737.db2.gz QKCXTPSNWNUVHB-HOTGVXAUSA-N 0 3 276.424 2.579 20 30 CFEDHN C=CCCn1cc(CNC(C(C)C)C(C)C)nn1 ZINC000653609138 413399380 /nfs/dbraw/zinc/39/93/80/413399380.db2.gz ZKNNBTNDRSKYOC-UHFFFAOYSA-N 0 3 250.390 2.624 20 30 CFEDHN C=CCCn1cc(CNC[C@@H](C)c2ccccc2)nn1 ZINC000657291863 413405677 /nfs/dbraw/zinc/40/56/77/413405677.db2.gz YBJOVTQHQSFYMB-CQSZACIVSA-N 0 3 270.380 2.748 20 30 CFEDHN CC[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(C#N)cc1 ZINC000282139690 286904634 /nfs/dbraw/zinc/90/46/34/286904634.db2.gz BZYNKKUYYPWSSK-AUUYWEPGSA-N 0 3 276.405 2.510 20 30 CFEDHN C[C@]1(NCc2cccc(C#N)c2F)CCO[C@@H]1C1CC1 ZINC000344373704 162026755 /nfs/dbraw/zinc/02/67/55/162026755.db2.gz JBECAFQHLDKARO-CVEARBPZSA-N 0 3 274.339 2.745 20 30 CFEDHN CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC=CCC1 ZINC000346336627 162385386 /nfs/dbraw/zinc/38/53/86/162385386.db2.gz SHDQYYNKAPABKL-CQSZACIVSA-N 0 3 280.375 2.994 20 30 CFEDHN COCCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000351761893 163191245 /nfs/dbraw/zinc/19/12/45/163191245.db2.gz YAQQGBDZWFVDGR-LLVKDONJSA-N 0 3 250.317 2.775 20 30 CFEDHN CC(C)[C@H](CNCc1nc(C#N)cs1)c1cccnc1 ZINC000352824118 163243237 /nfs/dbraw/zinc/24/32/37/163243237.db2.gz CPXDHMKRHGUBHS-AWEZNQCLSA-N 0 3 286.404 2.939 20 30 CFEDHN CC(C)(C)OC(=O)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353266799 163332829 /nfs/dbraw/zinc/33/28/29/163332829.db2.gz OHTLKDCCJQVDAB-OAHLLOKOSA-N 0 3 286.375 2.867 20 30 CFEDHN Cc1nnc(CCN[C@H](C)c2ccc(C#N)cc2F)s1 ZINC000353568867 163397129 /nfs/dbraw/zinc/39/71/29/163397129.db2.gz PXAHDNBBTFYDON-SECBINFHSA-N 0 3 290.367 2.751 20 30 CFEDHN C=C(CNCc1cnn2c1CCC2)c1ccccc1 ZINC000657334384 413459840 /nfs/dbraw/zinc/45/98/40/413459840.db2.gz YARDZCNWKDLIFI-UHFFFAOYSA-N 0 3 253.349 2.632 20 30 CFEDHN C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000181999214 287065349 /nfs/dbraw/zinc/06/53/49/287065349.db2.gz SGSNTXOOEQEKKQ-DOMZBBRYSA-N 0 3 285.391 2.608 20 30 CFEDHN C=CCCCN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284666337 196106830 /nfs/dbraw/zinc/10/68/30/196106830.db2.gz GAYPIYRTCZUIIR-QGZVFWFLSA-N 0 3 258.409 2.811 20 30 CFEDHN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284723383 196118977 /nfs/dbraw/zinc/11/89/77/196118977.db2.gz JVQXJMJLDWKYGX-CVEARBPZSA-N 0 3 256.349 2.702 20 30 CFEDHN C[C@@H](CNc1ncccc1C#N)N1CCc2ccccc2C1 ZINC000026729914 171497251 /nfs/dbraw/zinc/49/72/51/171497251.db2.gz QLZGDNISNSWAMR-AWEZNQCLSA-N 0 3 292.386 2.812 20 30 CFEDHN C#CCOc1ccccc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000285027370 196181201 /nfs/dbraw/zinc/18/12/01/196181201.db2.gz KFZMHVDAGRWXIU-WMZOPIPTSA-N 0 3 285.387 2.842 20 30 CFEDHN C=CCCC(C)(C)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000663997854 413502444 /nfs/dbraw/zinc/50/24/44/413502444.db2.gz GFTDYYCWTFPAHP-GFCCVEGCSA-N 0 3 267.417 2.513 20 30 CFEDHN C=CCCCCN1CCC(Oc2ncc(C)cn2)CC1 ZINC000653799145 413504883 /nfs/dbraw/zinc/50/48/83/413504883.db2.gz OEQCWZCXUABPGQ-UHFFFAOYSA-N 0 3 275.396 2.985 20 30 CFEDHN C=CCCn1cc(CNCCc2ccc(CC)cc2)nn1 ZINC000657365219 413505164 /nfs/dbraw/zinc/50/51/64/413505164.db2.gz YMLLABAJCXXYQD-UHFFFAOYSA-N 0 3 284.407 2.749 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(CC)[C@@H](C)CC)CC1 ZINC000664016935 413518133 /nfs/dbraw/zinc/51/81/33/413518133.db2.gz STPDRTYFPVOADX-AWEZNQCLSA-N 0 3 281.444 2.857 20 30 CFEDHN COc1cc(CN2CCC[C@H]2[C@H]2CCCO2)ccc1C#N ZINC000285059644 196188591 /nfs/dbraw/zinc/18/85/91/196188591.db2.gz LOHHZWPQSATENV-JKSUJKDBSA-N 0 3 286.375 2.710 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(CC)CC1 ZINC000660818963 413592370 /nfs/dbraw/zinc/59/23/70/413592370.db2.gz FOIUPWAKSMWAQC-HOCLYGCPSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCC[C@@H](O)CN1C[C@H](C)OC2(CCCCC2)C1 ZINC000653906021 413593192 /nfs/dbraw/zinc/59/31/92/413593192.db2.gz OLPRJPIHZWLFAE-LSDHHAIUSA-N 0 3 267.413 2.737 20 30 CFEDHN C=CCCn1cc(CN[C@@H]2CC[C@H](C)[C@@H](C)C2)nn1 ZINC000657434266 413603780 /nfs/dbraw/zinc/60/37/80/413603780.db2.gz BPSARXJAGQBFGE-MELADBBJSA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCCn1cc(CNC2CCC(OC(C)C)CC2)nn1 ZINC000657414742 413573532 /nfs/dbraw/zinc/57/35/32/413573532.db2.gz AUKIKUZWXZCDKO-UHFFFAOYSA-N 0 3 292.427 2.680 20 30 CFEDHN C=CC[C@H](CC)NCc1cc(C(F)(F)F)nn1C ZINC000657456736 413629996 /nfs/dbraw/zinc/62/99/96/413629996.db2.gz WNTKXELYMZVTKT-VIFPVBQESA-N 0 3 261.291 2.883 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2ccc(OC)nc2OC)C1 ZINC000651815120 413658645 /nfs/dbraw/zinc/65/86/45/413658645.db2.gz XRANKHWYARKCJM-OCCSQVGLSA-N 0 3 276.380 2.933 20 30 CFEDHN C=CC(C)(C)CNCc1cc(C(F)(F)F)nn1C ZINC000657480998 413664584 /nfs/dbraw/zinc/66/45/84/413664584.db2.gz FSDBDLCUDSSZFZ-UHFFFAOYSA-N 0 3 261.291 2.741 20 30 CFEDHN CCOC1CC2(C1)CCN(Cc1cccc(C#N)c1)C2 ZINC000285416451 196277975 /nfs/dbraw/zinc/27/79/75/196277975.db2.gz GGFFQHSBIUWWFF-UHFFFAOYSA-N 0 3 270.376 2.949 20 30 CFEDHN C=CC[C@@H]1CC[C@H](NCc2ccccc2S(C)(=O)=O)C1 ZINC000651830685 413671753 /nfs/dbraw/zinc/67/17/53/413671753.db2.gz GWAHMMCMUWQHPT-HIFRSBDPSA-N 0 3 293.432 2.925 20 30 CFEDHN C=CC[C@H]1CC[C@H](NCc2ccccc2S(C)(=O)=O)C1 ZINC000651830687 413672823 /nfs/dbraw/zinc/67/28/23/413672823.db2.gz GWAHMMCMUWQHPT-ZFWWWQNUSA-N 0 3 293.432 2.925 20 30 CFEDHN C=CC[C@@H]1CC[C@@H](NCc2cccc(N(C)C)n2)C1 ZINC000651742303 413605386 /nfs/dbraw/zinc/60/53/86/413605386.db2.gz KITDECIOCZKNMK-ZIAGYGMSSA-N 0 3 259.397 2.982 20 30 CFEDHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000660841603 413613079 /nfs/dbraw/zinc/61/30/79/413613079.db2.gz QLQNRJWCMAKFIW-HIFRSBDPSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CC[C@H]1CC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[n-]2)C1 ZINC000651829120 413674155 /nfs/dbraw/zinc/67/41/55/413674155.db2.gz PHMWDTBWCDFOGB-NWDGAFQWSA-N 0 3 262.401 2.937 20 30 CFEDHN C=CC[C@H]1CC[C@@H](NCc2nnc(C(C)(C)C)[nH]2)C1 ZINC000651829120 413674162 /nfs/dbraw/zinc/67/41/62/413674162.db2.gz PHMWDTBWCDFOGB-NWDGAFQWSA-N 0 3 262.401 2.937 20 30 CFEDHN C=CCOc1cccc(CNCCO[C@@H]2CC2(F)F)c1 ZINC000657617374 413795199 /nfs/dbraw/zinc/79/51/99/413795199.db2.gz AFRFFUXBSZEZOB-CQSZACIVSA-N 0 3 283.318 2.765 20 30 CFEDHN C=CCC1(NCc2cccc3c2OCO3)CCOCC1 ZINC000657632965 413808121 /nfs/dbraw/zinc/80/81/21/413808121.db2.gz FMKNEIZLHYMZFR-UHFFFAOYSA-N 0 3 275.348 2.630 20 30 CFEDHN C=CCC1(NCc2csc(C)n2)CCOCC1 ZINC000657632207 413809873 /nfs/dbraw/zinc/80/98/73/413809873.db2.gz BZQWZYUMMOOHSZ-UHFFFAOYSA-N 0 3 252.383 2.666 20 30 CFEDHN C=CCC1(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CCCC1 ZINC000664408210 413748674 /nfs/dbraw/zinc/74/86/74/413748674.db2.gz NEZLDPWDHSWDEG-DZGCQCFKSA-N 0 3 291.439 2.657 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NCc1nnnn1C(C)(C)C ZINC000661115085 413765941 /nfs/dbraw/zinc/76/59/41/413765941.db2.gz PIJCEIPSTYTBKT-QWHCGFSZSA-N 0 3 277.416 2.653 20 30 CFEDHN C=CCOc1ccc(CN[C@H](CO)CCF)cc1Cl ZINC000652016607 413768359 /nfs/dbraw/zinc/76/83/59/413768359.db2.gz CBOZOINLMKFURE-LBPRGKRZSA-N 0 3 287.762 2.715 20 30 CFEDHN C=CC[C@H]1CCCC[C@@H]1NCc1cn2cccnc2n1 ZINC000661118692 413769266 /nfs/dbraw/zinc/76/92/66/413769266.db2.gz JYRLQZXDQRNBEM-ZFWWWQNUSA-N 0 3 270.380 2.954 20 30 CFEDHN C=CC[C@H](CC)NC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661121936 413772425 /nfs/dbraw/zinc/77/24/25/413772425.db2.gz HLPLXGFGQIXYPI-GJZGRUSLSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CC(C)(C)CNC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000661268425 413866100 /nfs/dbraw/zinc/86/61/00/413866100.db2.gz DLAQICNQOJKCMR-AWEZNQCLSA-N 0 3 281.444 2.618 20 30 CFEDHN CCC[C@@]1(NCc2cc(C#N)ccc2F)CCOC1 ZINC000285512735 196309638 /nfs/dbraw/zinc/30/96/38/196309638.db2.gz JXMQZNKNIHFQGF-OAHLLOKOSA-N 0 3 262.328 2.746 20 30 CFEDHN C=CCC1(NC(=O)N[C@H](C)C2=CCN(C)CC2)CCCC1 ZINC000664629158 413872211 /nfs/dbraw/zinc/87/22/11/413872211.db2.gz JFRQSNGZIRGSJO-CQSZACIVSA-N 0 3 291.439 2.825 20 30 CFEDHN C=CCOCCCNCc1cc(F)ccc1OC ZINC000657658929 413828356 /nfs/dbraw/zinc/82/83/56/413828356.db2.gz KOCFATPLOURTSN-UHFFFAOYSA-N 0 3 253.317 2.517 20 30 CFEDHN C=CCN(CCC(=O)Nc1ccccc1F)[C@@H](C)COC ZINC000661243615 413845421 /nfs/dbraw/zinc/84/54/21/413845421.db2.gz LXQBNPPUONANAZ-ZDUSSCGKSA-N 0 3 294.370 2.677 20 30 CFEDHN C=CCN(CCc1ccc2c(c1)CCO2)[C@H](C)COC ZINC000661241778 413847098 /nfs/dbraw/zinc/84/70/98/413847098.db2.gz BHQUEROMFSBULK-CQSZACIVSA-N 0 3 275.392 2.687 20 30 CFEDHN C=CCC1(CNC(=O)N[C@H]2CCCN(C)C2)CCCC1 ZINC000652417847 413935612 /nfs/dbraw/zinc/93/56/12/413935612.db2.gz IWUWBUPLGYERIN-AWEZNQCLSA-N 0 3 279.428 2.516 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)N(C)Cc2cccs2)C1 ZINC000661377783 413935987 /nfs/dbraw/zinc/93/59/87/413935987.db2.gz VFIFUJHVLXLEDU-CQSZACIVSA-N 0 3 292.448 2.995 20 30 CFEDHN C=CC[C@@H]1CCCN(CC(=O)NCCCCC)C1 ZINC000661378020 413936025 /nfs/dbraw/zinc/93/60/25/413936025.db2.gz ZNWQHTJLWYWPTN-CQSZACIVSA-N 0 3 252.402 2.581 20 30 CFEDHN C=CC[C@@H]1CCCN([C@H](C)C(=O)NC(CC)CC)C1 ZINC000661379170 413939677 /nfs/dbraw/zinc/93/96/77/413939677.db2.gz VIGMTSREFPRYCZ-ZIAGYGMSSA-N 0 3 266.429 2.968 20 30 CFEDHN C=CCCCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654533710 413895108 /nfs/dbraw/zinc/89/51/08/413895108.db2.gz MRPREPWXHNIMCL-GJZGRUSLSA-N 0 3 279.428 2.659 20 30 CFEDHN C=CCC(C)(C)CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654573985 413912288 /nfs/dbraw/zinc/91/22/88/413912288.db2.gz XIXUNOCNJOGOBR-GJZGRUSLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=CCCNC(=O)NC[C@H](N[C@H](C)CC)c1ccco1 ZINC000664875224 413987268 /nfs/dbraw/zinc/98/72/68/413987268.db2.gz XVEDLQOCYGHBLW-OLZOCXBDSA-N 0 3 279.384 2.584 20 30 CFEDHN C[C@H](CO)[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000661446180 413993587 /nfs/dbraw/zinc/99/35/87/413993587.db2.gz RDJVKVDQWKQQTF-PBHICJAKSA-N 0 3 275.367 2.660 20 30 CFEDHN C=CCC[C@@H](NCCNC(=O)c1ccco1)c1ccco1 ZINC000285625639 196347301 /nfs/dbraw/zinc/34/73/01/196347301.db2.gz KZHPYGPPDOUIFN-CYBMUJFWSA-N 0 3 288.347 2.900 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC000661527066 414034416 /nfs/dbraw/zinc/03/44/16/414034416.db2.gz OOHMZUOKDLKUQK-WMLDXEAASA-N 0 3 286.419 2.729 20 30 CFEDHN N#Cc1ccnc(N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000285671199 196362326 /nfs/dbraw/zinc/36/23/26/196362326.db2.gz PKXWRHLQLDNLLX-INIZCTEOSA-N 0 3 278.359 2.640 20 30 CFEDHN C#CCCCN(C)CCc1nc(-c2ccccc2)no1 ZINC000285771249 196394341 /nfs/dbraw/zinc/39/43/41/196394341.db2.gz DLEZJDXCAVJHQV-UHFFFAOYSA-N 0 3 269.348 2.624 20 30 CFEDHN C=CCNC(=O)CN[C@H](CC)Cc1ccc(Cl)cc1 ZINC000657952742 414072598 /nfs/dbraw/zinc/07/25/98/414072598.db2.gz LBWURHGIWGPRJZ-CQSZACIVSA-N 0 3 280.799 2.553 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CCF)C1 ZINC000661694818 414138013 /nfs/dbraw/zinc/13/80/13/414138013.db2.gz BMPRBWBUAYPXGZ-CABCVRRESA-N 0 3 284.419 2.871 20 30 CFEDHN C=CCN(CC(=O)NCCc1ccccc1C)C(C)(C)C ZINC000661755469 414195910 /nfs/dbraw/zinc/19/59/10/414195910.db2.gz REZSVLRKUMKPRO-UHFFFAOYSA-N 0 3 288.435 2.940 20 30 CFEDHN C=C(C)[C@H](CO)N(C)Cc1ccc(OC)c(Cl)c1 ZINC000665237211 414196730 /nfs/dbraw/zinc/19/67/30/414196730.db2.gz IGJBBGCLCKGAHT-ZDUSSCGKSA-N 0 3 269.772 2.717 20 30 CFEDHN C=CCCN[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000658117271 414217160 /nfs/dbraw/zinc/21/71/60/414217160.db2.gz SIJJAUIXLADHME-GFCCVEGCSA-N 0 3 256.353 2.802 20 30 CFEDHN O[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C12CCC2 ZINC000661832719 414246393 /nfs/dbraw/zinc/24/63/93/414246393.db2.gz HHSPWXIXNZOBON-GJZGRUSLSA-N 0 3 275.779 2.585 20 30 CFEDHN C=CCCCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000655488789 414299636 /nfs/dbraw/zinc/29/96/36/414299636.db2.gz GDHRMEGZBBNYTL-MRXNPFEDSA-N 0 3 272.392 2.736 20 30 CFEDHN C=CCC[C@H](N[C@H](C)C[S@](C)=O)c1ccco1 ZINC000285915409 196439788 /nfs/dbraw/zinc/43/97/88/196439788.db2.gz CBMMYERAQMTQNG-PEBVRCNWSA-N 0 3 255.383 2.644 20 30 CFEDHN Clc1cccc(C#CCN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000662037644 414371238 /nfs/dbraw/zinc/37/12/38/414371238.db2.gz WUEBKCHZBRPGHC-GJZGRUSLSA-N 0 3 275.779 2.660 20 30 CFEDHN C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCCN(CC)CC1 ZINC000665390633 414320814 /nfs/dbraw/zinc/32/08/14/414320814.db2.gz LIUBDZSXZJXCHL-JKSUJKDBSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCNC(=O)CN1CCCC[C@H]1CCCCC ZINC000662156482 414435199 /nfs/dbraw/zinc/43/51/99/414435199.db2.gz RFBZPPOKNGHNMD-CQSZACIVSA-N 0 3 252.402 2.723 20 30 CFEDHN C=C[C@H](CO)NCCOC(c1ccccc1)c1ccccc1 ZINC000662167653 414440096 /nfs/dbraw/zinc/44/00/96/414440096.db2.gz LBSFOJGNECLKKK-GOSISDBHSA-N 0 3 297.398 2.929 20 30 CFEDHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C1CCCCC1 ZINC000662079175 414398007 /nfs/dbraw/zinc/39/80/07/414398007.db2.gz LBQDUOYLQCAUFU-IYBDPMFKSA-N 0 3 276.424 2.961 20 30 CFEDHN C=CCCC[C@@H](C)N1CCc2c(cccc2C(N)=O)C1 ZINC000662297613 414499508 /nfs/dbraw/zinc/49/95/08/414499508.db2.gz GSFOSRILAKGEDU-CYBMUJFWSA-N 0 3 272.392 2.888 20 30 CFEDHN C=CCN(CC1CCCCC1)[C@H]1CCN(CC)C1=O ZINC000659920612 414615135 /nfs/dbraw/zinc/61/51/35/414615135.db2.gz QJPIJABWBBXNGT-HNNXBMFYSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCN(Cc1ccccc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000659824022 414571235 /nfs/dbraw/zinc/57/12/35/414571235.db2.gz YCJPJSVCLFIPEG-DLBZAZTESA-N 0 3 275.392 2.726 20 30 CFEDHN C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000662878715 414626997 /nfs/dbraw/zinc/62/69/97/414626997.db2.gz ZNFAIEONLZUSOH-CJNGLKHVSA-N 0 3 288.391 2.888 20 30 CFEDHN C=CCCC1(CNC(=O)C2(N)CCC2)CCCC1 ZINC000662620291 414577993 /nfs/dbraw/zinc/57/79/93/414577993.db2.gz FNXFFHXCHZWUPB-UHFFFAOYSA-N 0 3 250.386 2.511 20 30 CFEDHN C=CC[C@@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662629302 414580373 /nfs/dbraw/zinc/58/03/73/414580373.db2.gz ATKYNGQICGFLTO-CYBMUJFWSA-N 0 3 270.376 2.718 20 30 CFEDHN C[C@@H]1CCCCN1CCNC(=O)/C=C/c1cccc(C#N)c1 ZINC000044532891 175195797 /nfs/dbraw/zinc/19/57/97/175195797.db2.gz GQYMQLVAEMOARR-XVJNWHFHSA-N 0 3 297.402 2.562 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccccc1Br ZINC000044824298 175259106 /nfs/dbraw/zinc/25/91/06/175259106.db2.gz BAGCPCHHQGRSBK-SECBINFHSA-N 0 3 281.153 2.567 20 30 CFEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(C)(C)C ZINC000045073500 175302787 /nfs/dbraw/zinc/30/27/87/175302787.db2.gz ADFVGQOXCHIBLS-LBPRGKRZSA-N 0 3 273.380 2.863 20 30 CFEDHN CC(C#N)C(=O)NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000347120273 226032027 /nfs/dbraw/zinc/03/20/27/226032027.db2.gz XTHURMXHSPCYDU-NSHDSACASA-N 0 3 299.305 2.789 20 30 CFEDHN CC(C#N)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000347082012 226043550 /nfs/dbraw/zinc/04/35/50/226043550.db2.gz XNGIJBSPLSGMKX-GFCCVEGCSA-N 0 3 258.365 2.802 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/c2cccc(C)c2)CC1 ZINC000171726633 335076101 /nfs/dbraw/zinc/07/61/01/335076101.db2.gz MSCQHQVFAPNCSH-BQYQJAHWSA-N 0 3 284.403 2.775 20 30 CFEDHN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000330121242 228043934 /nfs/dbraw/zinc/04/39/34/228043934.db2.gz GSUKFZNGGRPCHW-KGLIPLIRSA-N 0 3 293.411 2.911 20 30 CFEDHN O=C(NCC1(CCO)CC1)[C@H]1CCCN1C1CCCC1 ZINC000330255686 228082525 /nfs/dbraw/zinc/08/25/25/228082525.db2.gz PSIJBVNHPPVFHW-CQSZACIVSA-N 0 3 280.412 2.513 20 30 CFEDHN Cc1cc(CN[C@H]2CC[C@@H](C#N)C2)cc(N2CCCC2)n1 ZINC000353609164 228130427 /nfs/dbraw/zinc/13/04/27/228130427.db2.gz ASDKYFTUSFDIRA-ZBFHGGJFSA-N 0 3 284.407 2.772 20 30 CFEDHN CCc1noc(C2CCC(N[C@H]3CCC[C@@H]3C#N)CC2)n1 ZINC000331918873 228138915 /nfs/dbraw/zinc/13/89/15/228138915.db2.gz LTTYQLJIIQEONF-HHTDUIENSA-N 0 3 288.395 2.940 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCc2cc(Br)ccc21 ZINC000335998625 228176272 /nfs/dbraw/zinc/17/62/72/228176272.db2.gz CCQWKBQGKXBPQV-PRHODGIISA-N 0 3 293.164 2.712 20 30 CFEDHN CC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000117343782 260032393 /nfs/dbraw/zinc/03/23/93/260032393.db2.gz QISJYBZPIOAJBO-HOCLYGCPSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCC[C@H](C(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000187492447 260038900 /nfs/dbraw/zinc/03/89/00/260038900.db2.gz BHHWGNGKXVVJGK-KRWDZBQOSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CC[C@@H](C(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000187492679 260039200 /nfs/dbraw/zinc/03/92/00/260039200.db2.gz KUWGJQXHOOBOIC-MRXNPFEDSA-N 0 3 272.392 2.557 20 30 CFEDHN C=CCC[C@@H](O)CN1CCC[C@H](c2ccnc(CC)n2)C1 ZINC000370504696 260066420 /nfs/dbraw/zinc/06/64/20/260066420.db2.gz LAJORNPQUQJWBG-LSDHHAIUSA-N 0 3 289.423 2.546 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CCC1 ZINC000188040946 260070130 /nfs/dbraw/zinc/07/01/30/260070130.db2.gz FAYYCWPQGJCUGJ-ZIAGYGMSSA-N 0 3 264.413 2.674 20 30 CFEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](c2ccco2)C1 ZINC000374003030 260128767 /nfs/dbraw/zinc/12/87/67/260128767.db2.gz NZJBNXSDTMKNCA-LSDHHAIUSA-N 0 3 290.407 2.882 20 30 CFEDHN C=CCCC1(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000357168862 260140388 /nfs/dbraw/zinc/14/03/88/260140388.db2.gz NPXFJZQUUAYOTF-CQSZACIVSA-N 0 3 278.440 2.969 20 30 CFEDHN CC(C)(C)OC(=O)[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000407993081 260156052 /nfs/dbraw/zinc/15/60/52/260156052.db2.gz KQCSBQWRSWGLPW-MCIONIFRSA-N 0 3 278.396 2.732 20 30 CFEDHN CCC(O)(CC)CNC1CC(C#N)(c2ccccc2)C1 ZINC000087014232 260210996 /nfs/dbraw/zinc/21/09/96/260210996.db2.gz BKBRHEMMGIDRLK-UHFFFAOYSA-N 0 3 272.392 2.751 20 30 CFEDHN N#Cc1ccc(CN2CCNC[C@@H]2c2ccccc2)cc1 ZINC000313322738 260283529 /nfs/dbraw/zinc/28/35/29/260283529.db2.gz KZTIVJSQQRHPLJ-GOSISDBHSA-N 0 3 277.371 2.705 20 30 CFEDHN C=C(CC)CNCc1cc(OC)c(OC)c(OC)c1 ZINC000313491275 260298535 /nfs/dbraw/zinc/29/85/35/260298535.db2.gz YVOSORULYMBNQU-UHFFFAOYSA-N 0 3 265.353 2.768 20 30 CFEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000090450764 260359183 /nfs/dbraw/zinc/35/91/83/260359183.db2.gz BUTPOHOOHTZKTO-ZDUSSCGKSA-N 0 3 279.380 2.947 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000090451026 260359478 /nfs/dbraw/zinc/35/94/78/260359478.db2.gz CDYGIQNTLJKUAX-CYBMUJFWSA-N 0 3 276.380 2.888 20 30 CFEDHN C=CCNC(=O)CN[C@H](CSc1ccccc1)C(C)C ZINC000181162217 260572984 /nfs/dbraw/zinc/57/29/84/260572984.db2.gz MHOLYWQRNKEELT-OAHLLOKOSA-N 0 3 292.448 2.695 20 30 CFEDHN C=C(C)CN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000245515169 260812872 /nfs/dbraw/zinc/81/28/72/260812872.db2.gz DCHBQQWUXCVCNY-HOTGVXAUSA-N 0 3 287.407 2.649 20 30 CFEDHN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1CCCC ZINC000448843468 261065816 /nfs/dbraw/zinc/06/58/16/261065816.db2.gz JDDJIOVOEWDXCJ-CQSZACIVSA-N 0 3 266.429 2.969 20 30 CFEDHN C=C(C)CN(CC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448257087 261067458 /nfs/dbraw/zinc/06/74/58/261067458.db2.gz SEWWEYKPTKLYJI-CQSZACIVSA-N 0 3 281.444 2.714 20 30 CFEDHN N#CCCN(C(=O)CN1C[C@@H]2CCC[C@H]2C1)c1ccccc1 ZINC000153148343 261074221 /nfs/dbraw/zinc/07/42/21/261074221.db2.gz MFRSIKHSNKFTAU-HOTGVXAUSA-N 0 3 297.402 2.665 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000106037246 261320634 /nfs/dbraw/zinc/32/06/34/261320634.db2.gz HYIAJZMJLDHPBZ-UHFFFAOYSA-N 0 3 252.402 2.579 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN(C)[C@H](C)C1(C)CC1 ZINC000177215342 261339717 /nfs/dbraw/zinc/33/97/17/261339717.db2.gz XLFSKPYFHLDMGB-CYBMUJFWSA-N 0 3 252.402 2.531 20 30 CFEDHN C=CCN(CCCOc1ccc(F)cc1)CCOC ZINC000107677658 261897443 /nfs/dbraw/zinc/89/74/43/261897443.db2.gz FDIFLNPQHWUVNA-UHFFFAOYSA-N 0 3 267.344 2.729 20 30 CFEDHN C[C@@]1(CNCc2ccc(C#N)cc2)COc2ccccc2O1 ZINC000527736567 269867714 /nfs/dbraw/zinc/86/77/14/269867714.db2.gz SAULCSNJQKFERX-GOSISDBHSA-N 0 3 294.354 2.878 20 30 CFEDHN COC[C@H](NCCCC(C)(C)C#N)c1ccco1 ZINC000184517155 262022166 /nfs/dbraw/zinc/02/21/66/262022166.db2.gz MAIILKMLWLNIAR-LBPRGKRZSA-N 0 3 250.342 2.887 20 30 CFEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(N3CCCC3)nc2)C1 ZINC000185711636 262067708 /nfs/dbraw/zinc/06/77/08/262067708.db2.gz PFXXRFNMUHMSMD-GDBMZVCRSA-N 0 3 284.407 2.854 20 30 CFEDHN CCN(CCN[C@@H]1CC[C@H](C#N)C1)C(=O)OC(C)(C)C ZINC000497284923 262133822 /nfs/dbraw/zinc/13/38/22/262133822.db2.gz JIKVKOUDGPPARC-QWHCGFSZSA-N 0 3 281.400 2.525 20 30 CFEDHN C=C[C@H](CC(=O)N1CC[C@H]2CCN(C)[C@@H]2C1)c1ccccc1 ZINC000368597406 262137769 /nfs/dbraw/zinc/13/77/69/262137769.db2.gz XIEVRNWKHYSNDF-KBAYOESNSA-N 0 3 298.430 2.899 20 30 CFEDHN Cc1cccc([C@@H](O)CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000193027534 262214476 /nfs/dbraw/zinc/21/44/76/262214476.db2.gz PUDJQXCQZYNJJI-BPUTZDHNSA-N 0 3 258.365 2.700 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccsc2)C[C@@H]1C ZINC000364633549 262256023 /nfs/dbraw/zinc/25/60/23/262256023.db2.gz RDPPBZZBLXVEHH-SGMGOOAPSA-N 0 3 278.421 2.617 20 30 CFEDHN C=CC[C@@H](CO)NCc1ccc(CSC(F)F)o1 ZINC000184261399 262274415 /nfs/dbraw/zinc/27/44/15/262274415.db2.gz LRAUIZLONABKSM-VIFPVBQESA-N 0 3 277.336 2.762 20 30 CFEDHN C=CCOCCCN1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495516329 262278241 /nfs/dbraw/zinc/27/82/41/262278241.db2.gz ZBGUMQQLEIUBBA-AWEZNQCLSA-N 0 3 298.427 2.520 20 30 CFEDHN CC(C)[C@@H](CCO)NCC#Cc1ccccc1Cl ZINC000161920660 262322273 /nfs/dbraw/zinc/32/22/73/262322273.db2.gz QLQODFAJNNKBQZ-OAHLLOKOSA-N 0 3 265.784 2.688 20 30 CFEDHN CC(C)(C#N)CCCCN1CCSC[C@H]1CCO ZINC000336784685 262395018 /nfs/dbraw/zinc/39/50/18/262395018.db2.gz VEQCBLBIUPXONI-CYBMUJFWSA-N 0 3 270.442 2.506 20 30 CFEDHN CN1CCN(CCC(C)(C)C#N)Cc2ccccc21 ZINC000336797925 262397141 /nfs/dbraw/zinc/39/71/41/262397141.db2.gz CANDBEOZUGIXQO-UHFFFAOYSA-N 0 3 257.381 2.878 20 30 CFEDHN C=CCOc1ccc(CNCC(C)(C)C(=O)OC)cc1 ZINC000336838030 262399820 /nfs/dbraw/zinc/39/98/20/262399820.db2.gz MMYYXXPYZRQDPS-UHFFFAOYSA-N 0 3 277.364 2.540 20 30 CFEDHN N#CCOc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000271705517 262998272 /nfs/dbraw/zinc/99/82/72/262998272.db2.gz UCEUJTAHFJCSJK-GOSISDBHSA-N 0 3 296.370 2.802 20 30 CFEDHN CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000271735700 262998742 /nfs/dbraw/zinc/99/87/42/262998742.db2.gz ZKMTZNJIKSBMCT-RDJZCZTQSA-N 0 3 287.407 2.782 20 30 CFEDHN CC(C)(C#N)CCN[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000272041358 263001407 /nfs/dbraw/zinc/00/14/07/263001407.db2.gz RFKOWTDHFWFVMV-INIZCTEOSA-N 0 3 299.418 2.880 20 30 CFEDHN Cc1nn(-c2ccccc2)cc1CNCCCC#N ZINC000273044958 263011671 /nfs/dbraw/zinc/01/16/71/263011671.db2.gz JFNMOBVCDPNVEJ-UHFFFAOYSA-N 0 3 254.337 2.574 20 30 CFEDHN N#CCCCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000273063145 263012065 /nfs/dbraw/zinc/01/20/65/263012065.db2.gz MUTNIEQLRGGPQJ-UHFFFAOYSA-N 0 3 293.374 2.857 20 30 CFEDHN COc1ccc2c(c1)[C@@H](NCCCC#N)CCCO2 ZINC000273252511 263014358 /nfs/dbraw/zinc/01/43/58/263014358.db2.gz LHKQCZPVIHZJKM-AWEZNQCLSA-N 0 3 260.337 2.802 20 30 CFEDHN COCCOc1ccc([C@H](C)NCCCC#N)cc1 ZINC000273260636 263014605 /nfs/dbraw/zinc/01/46/05/263014605.db2.gz MXHBCCHQAXJYOU-ZDUSSCGKSA-N 0 3 262.353 2.666 20 30 CFEDHN CN(C)c1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000274193026 263021824 /nfs/dbraw/zinc/02/18/24/263021824.db2.gz ILNHPBMJHMSLGE-DZGCQCFKSA-N 0 3 257.381 2.925 20 30 CFEDHN N#CCCCN1CCC(CO)(Cc2ccccc2)CC1 ZINC000277944595 263044576 /nfs/dbraw/zinc/04/45/76/263044576.db2.gz ZOPKFPJHLBWSBF-UHFFFAOYSA-N 0 3 272.392 2.607 20 30 CFEDHN [O-]c1ccccc1/C=N/CC1CC[NH+](C2CC2)CC1 ZINC000277981095 263044923 /nfs/dbraw/zinc/04/49/23/263044923.db2.gz JEBNJSCFFRUPIS-SFQUDFHCSA-N 0 3 258.365 2.686 20 30 CFEDHN N#C[C@H]1CCC[C@@H](NCCOc2ccccc2F)C1 ZINC000278151560 263045588 /nfs/dbraw/zinc/04/55/88/263045588.db2.gz ACWHRZNDDPSMIR-QWHCGFSZSA-N 0 3 262.328 2.876 20 30 CFEDHN CCN(Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](C#N)C1 ZINC000278521745 263048690 /nfs/dbraw/zinc/04/86/90/263048690.db2.gz CPOUYJULJULSBZ-GXTWGEPZSA-N 0 3 272.348 2.929 20 30 CFEDHN Cc1cccc(OCCN(C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000278651223 263049288 /nfs/dbraw/zinc/04/92/88/263049288.db2.gz PVGLUXBKPLWVIQ-LSDHHAIUSA-N 0 3 258.365 2.998 20 30 CFEDHN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)cc1[N+](=O)[O-] ZINC000278673117 263049563 /nfs/dbraw/zinc/04/95/63/263049563.db2.gz JILUUIRMISVHFP-YPMHNXCESA-N 0 3 289.335 2.775 20 30 CFEDHN C[C@H](NC(=O)CC(C)(C)C#N)[C@@H](c1ccccc1)N(C)C ZINC000278767061 263050907 /nfs/dbraw/zinc/05/09/07/263050907.db2.gz KROVPYNPKXVMFZ-BBRMVZONSA-N 0 3 287.407 2.734 20 30 CFEDHN CC(C)(C#N)CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000279178694 263053629 /nfs/dbraw/zinc/05/36/29/263053629.db2.gz CQOGVNANKGPZAY-MRXNPFEDSA-N 0 3 299.418 2.880 20 30 CFEDHN CC(C)(C#N)c1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000280242170 263059749 /nfs/dbraw/zinc/05/97/49/263059749.db2.gz KAVBDPYNQHKBGZ-UHFFFAOYSA-N 0 3 299.418 2.703 20 30 CFEDHN Cc1nccnc1[C@H](C)NCC1CCC(C#N)CC1 ZINC000282141836 263074641 /nfs/dbraw/zinc/07/46/41/263074641.db2.gz CELDROACFXRTGC-HSBZDZAISA-N 0 3 258.369 2.766 20 30 CFEDHN N#CCCCN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282954455 263079865 /nfs/dbraw/zinc/07/98/65/263079865.db2.gz ZILZJSUNIMUGSW-OAHLLOKOSA-N 0 3 278.783 2.935 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284723256 263087915 /nfs/dbraw/zinc/08/79/15/263087915.db2.gz JTYNXXWYBFKUFG-IRXDYDNUSA-N 0 3 286.375 2.732 20 30 CFEDHN CO[C@H](C)CN(C)Cc1ccccc1C(C)(C)C#N ZINC000285740331 263095343 /nfs/dbraw/zinc/09/53/43/263095343.db2.gz QJFAHSPIBBFGFP-CYBMUJFWSA-N 0 3 260.381 2.954 20 30 CFEDHN CC1(C)CC[C@H]1NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000287302834 263101644 /nfs/dbraw/zinc/10/16/44/263101644.db2.gz UIVXGZAXFFRVEL-LSDHHAIUSA-N 0 3 281.359 2.545 20 30 CFEDHN C=CCC[C@H](N[C@H](CCO)CSC)c1ccco1 ZINC000353514516 263107679 /nfs/dbraw/zinc/10/76/79/263107679.db2.gz HEZFUKUYAZXNSP-OLZOCXBDSA-N 0 3 269.410 2.991 20 30 CFEDHN CN(C)c1cccnc1CNCC(C)(C)CCC#N ZINC000289790335 263111986 /nfs/dbraw/zinc/11/19/86/263111986.db2.gz LHXRCXGALQYHQU-UHFFFAOYSA-N 0 3 260.385 2.567 20 30 CFEDHN CC(C)N(Cc1ccc(OCC#N)cc1)[C@H]1CCOC1 ZINC000291883175 263126340 /nfs/dbraw/zinc/12/63/40/263126340.db2.gz QHGDVNDRLMLVLV-HNNXBMFYSA-N 0 3 274.364 2.588 20 30 CFEDHN C[C@]1(c2ccccc2)CCCN(CCOCCC#N)C1 ZINC000293074086 263137708 /nfs/dbraw/zinc/13/77/08/263137708.db2.gz LZHDCDAFZZCQJY-KRWDZBQOSA-N 0 3 272.392 2.970 20 30 CFEDHN CCc1ccc([C@H](C#N)NC(=O)CC2CCN(C)CC2)cc1 ZINC000293219054 263138717 /nfs/dbraw/zinc/13/87/17/263138717.db2.gz FLHSPHPIXRJTLJ-KRWDZBQOSA-N 0 3 299.418 2.662 20 30 CFEDHN N#CCCOCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000293443264 263140581 /nfs/dbraw/zinc/14/05/81/263140581.db2.gz KEAQUILYUWYOCW-UHFFFAOYSA-N 0 3 274.339 2.845 20 30 CFEDHN N#C[C@H]1CC[C@@H](N2CCN(CCc3cccs3)CC2)C1 ZINC000293459194 263140786 /nfs/dbraw/zinc/14/07/86/263140786.db2.gz LBDZGDGVCRBUBO-LSDHHAIUSA-N 0 3 289.448 2.600 20 30 CFEDHN N#C[C@H]1CC[C@H](N2CCC(Oc3ncccc3F)CC2)C1 ZINC000293683933 263146793 /nfs/dbraw/zinc/14/67/93/263146793.db2.gz ATEAJTBCJINDHH-STQMWFEESA-N 0 3 289.354 2.756 20 30 CFEDHN CN1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1Cc1ccccc1 ZINC000293685348 263147072 /nfs/dbraw/zinc/14/70/72/263147072.db2.gz AWRYJGRDBYGCNZ-KURKYZTESA-N 0 3 283.419 2.537 20 30 CFEDHN C[C@@H](NCCOCCC#N)c1cccc(OC(F)F)c1 ZINC000293809222 263150175 /nfs/dbraw/zinc/15/01/75/263150175.db2.gz OBCUXLQHJLFIKI-LLVKDONJSA-N 0 3 284.306 2.869 20 30 CFEDHN CC[C@@H](NCCOCCC#N)c1cc(F)ccc1F ZINC000293908296 263152012 /nfs/dbraw/zinc/15/20/12/263152012.db2.gz WTUAAOCZPFBXBW-CQSZACIVSA-N 0 3 268.307 2.936 20 30 CFEDHN N#CCCOCCN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000293956873 263153171 /nfs/dbraw/zinc/15/31/71/263153171.db2.gz CEVRVQQXTPYKHV-LSDHHAIUSA-N 0 3 294.782 2.690 20 30 CFEDHN Cc1ccnc(OC2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000294772000 263167426 /nfs/dbraw/zinc/16/74/26/263167426.db2.gz ZGTMNPOTAWULPP-CABCVRRESA-N 0 3 285.391 2.926 20 30 CFEDHN Cc1ccnc(OC2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000294772003 263167430 /nfs/dbraw/zinc/16/74/30/263167430.db2.gz ZGTMNPOTAWULPP-GJZGRUSLSA-N 0 3 285.391 2.926 20 30 CFEDHN CN(CCN1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000294868080 263168604 /nfs/dbraw/zinc/16/86/04/263168604.db2.gz AUCXRUFQBPPDJY-UHFFFAOYSA-N 0 3 271.408 2.744 20 30 CFEDHN C#CCOc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000294930510 263169549 /nfs/dbraw/zinc/16/95/49/263169549.db2.gz GDSVQVIOERZLOC-HZPDHXFCSA-N 0 3 268.360 2.871 20 30 CFEDHN CCn1ccnc1[C@H](C)NCC1CCC(C#N)CC1 ZINC000296356128 263190503 /nfs/dbraw/zinc/19/05/03/263190503.db2.gz HTHKTDXDGQHKET-HSBZDZAISA-N 0 3 260.385 2.884 20 30 CFEDHN C[C@H](C#N)N(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000297969339 263213118 /nfs/dbraw/zinc/21/31/18/263213118.db2.gz VUVQSGSGWHTJSU-OAHLLOKOSA-N 0 3 299.418 2.659 20 30 CFEDHN C=C(C)CNCc1cc(OC)ccc1OC(F)F ZINC000119637937 263275511 /nfs/dbraw/zinc/27/55/11/263275511.db2.gz OCPDQLUSFUOAGY-UHFFFAOYSA-N 0 3 257.280 2.962 20 30 CFEDHN C=CC[C@H](C)NCc1cc(OC)ccc1OCOC ZINC000119840931 263278789 /nfs/dbraw/zinc/27/87/89/263278789.db2.gz YZQPPGTXXHXPIE-LBPRGKRZSA-N 0 3 265.353 2.732 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(CC)CC ZINC000120533729 263284018 /nfs/dbraw/zinc/28/40/18/263284018.db2.gz CAVVAMYRZCUJLL-CYBMUJFWSA-N 0 3 280.437 2.993 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000120862077 263286746 /nfs/dbraw/zinc/28/67/46/263286746.db2.gz OMIIROBDVBSXQK-KMFMINBZSA-N 0 3 291.439 2.695 20 30 CFEDHN C=CCCCN(C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000121099882 263290103 /nfs/dbraw/zinc/29/01/03/263290103.db2.gz JOBFWMQAQWZTEB-OAHLLOKOSA-N 0 3 274.408 2.932 20 30 CFEDHN C=CC[C@@H](CO)CNCc1cccc2c1OC(C)(C)C2 ZINC000341281410 263330176 /nfs/dbraw/zinc/33/01/76/263330176.db2.gz CXPNKZDSFVIEML-CYBMUJFWSA-N 0 3 275.392 2.674 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCCN1CCCC(C)(C)C1 ZINC000341378848 263334647 /nfs/dbraw/zinc/33/46/47/263334647.db2.gz ONFAPJBSPXTOCY-AWEZNQCLSA-N 0 3 281.444 2.762 20 30 CFEDHN C=CC[C@@H](CO)CN[C@H](C)c1nc2c(s1)CCCC2 ZINC000341871700 263360534 /nfs/dbraw/zinc/36/05/34/263360534.db2.gz CHOCOVOCXKAAOV-VXGBXAGGSA-N 0 3 280.437 2.857 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1cc(OC)ccc1OC ZINC000341871381 263360693 /nfs/dbraw/zinc/36/06/93/263360693.db2.gz DHQMFLCWNAFQQJ-QWHCGFSZSA-N 0 3 279.380 2.539 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccccc1OCC ZINC000341879905 263362583 /nfs/dbraw/zinc/36/25/83/263362583.db2.gz VFVRKXIYLHJWGQ-UONOGXRCSA-N 0 3 263.381 2.921 20 30 CFEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000341880985 263362634 /nfs/dbraw/zinc/36/26/34/263362634.db2.gz QMGQHYGFNAKWKK-STQMWFEESA-N 0 3 280.387 2.727 20 30 CFEDHN C=CC[C@@H](CO)CN[C@@H](CC(C)C)c1ccccn1 ZINC000341894281 263366731 /nfs/dbraw/zinc/36/67/31/263366731.db2.gz ZSPQJXDQMFTYBB-ZBFHGGJFSA-N 0 3 262.397 2.943 20 30 CFEDHN COCC1(C#N)CCN(Cc2cccc3cccnc32)CC1 ZINC000341975550 263368739 /nfs/dbraw/zinc/36/87/39/263368739.db2.gz JLHCAOITJPFJIJ-UHFFFAOYSA-N 0 3 295.386 2.987 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000342009779 263377233 /nfs/dbraw/zinc/37/72/33/263377233.db2.gz BSWUDSPDPSEXJE-GJZGRUSLSA-N 0 3 264.413 2.676 20 30 CFEDHN C=CCCN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000342043943 263383170 /nfs/dbraw/zinc/38/31/70/263383170.db2.gz VERZTMAEPFDJFJ-MRXNPFEDSA-N 0 3 272.392 2.686 20 30 CFEDHN CC#CCCCC(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000342038457 263386495 /nfs/dbraw/zinc/38/64/95/263386495.db2.gz IRWKEOAMTFLHSN-HUUCEWRRSA-N 0 3 264.413 2.559 20 30 CFEDHN C=C(C)COCCNCc1ccc(OC)c(OC)c1C ZINC000342147630 263399544 /nfs/dbraw/zinc/39/95/44/263399544.db2.gz UOUKOUVBHLYJBK-UHFFFAOYSA-N 0 3 279.380 2.695 20 30 CFEDHN C=CCCC1(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)CC1 ZINC000342759130 263491716 /nfs/dbraw/zinc/49/17/16/263491716.db2.gz OROSQHDACSOVFZ-LSDHHAIUSA-N 0 3 276.424 2.818 20 30 CFEDHN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)[C@@H](C)CN1C ZINC000335975344 274345448 /nfs/dbraw/zinc/34/54/48/274345448.db2.gz NFNJAIIKOQMFQA-KGLIPLIRSA-N 0 3 276.811 2.716 20 30 CFEDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Cl)c(N)c1Cl ZINC000330690114 264003632 /nfs/dbraw/zinc/00/36/32/264003632.db2.gz YJVIOQSKVCWRAB-ZETCQYMHSA-N 0 3 290.194 2.830 20 30 CFEDHN CCCN1CCC[C@H]1CNC(=O)c1c(C)nn(CC)c1C ZINC000330676776 264014886 /nfs/dbraw/zinc/01/48/86/264014886.db2.gz URSJBDGABOONTD-AWEZNQCLSA-N 0 3 292.427 2.699 20 30 CFEDHN CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC000331246866 264179156 /nfs/dbraw/zinc/17/91/56/264179156.db2.gz VJMFZRAUWLFGPH-LBPRGKRZSA-N 0 3 292.379 2.580 20 30 CFEDHN CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1[O-] ZINC000331246866 264179157 /nfs/dbraw/zinc/17/91/57/264179157.db2.gz VJMFZRAUWLFGPH-LBPRGKRZSA-N 0 3 292.379 2.580 20 30 CFEDHN C=C(C)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976251 264242953 /nfs/dbraw/zinc/24/29/53/264242953.db2.gz HJCIGQXJSLFGFQ-OAHLLOKOSA-N 0 3 261.365 2.949 20 30 CFEDHN C=C(C)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976251 264242956 /nfs/dbraw/zinc/24/29/56/264242956.db2.gz HJCIGQXJSLFGFQ-OAHLLOKOSA-N 0 3 261.365 2.949 20 30 CFEDHN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CCCC ZINC000343263489 264262753 /nfs/dbraw/zinc/26/27/53/264262753.db2.gz LRGXOZJTTVFFOJ-AWEZNQCLSA-N 0 3 252.402 2.698 20 30 CFEDHN CC[C@@]1(CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000189650936 264317200 /nfs/dbraw/zinc/31/72/00/264317200.db2.gz XCZDMFSKVMZHGM-INIZCTEOSA-N 0 3 277.795 2.928 20 30 CFEDHN CN(Cc1ccccc1)CC(C)(C)NCC1(C#N)CC1 ZINC000343278500 264319096 /nfs/dbraw/zinc/31/90/96/264319096.db2.gz LADXGLWKRZWNGG-UHFFFAOYSA-N 0 3 271.408 2.790 20 30 CFEDHN C=CCN(CC[C@@H](C(=O)OC)c1ccccc1)C1CC1 ZINC000425456689 264329815 /nfs/dbraw/zinc/32/98/15/264329815.db2.gz JUTISZKDFFUBBK-MRXNPFEDSA-N 0 3 273.376 2.984 20 30 CFEDHN C=CCN(CC[C@H](C(=O)OC)c1ccccc1)C1CC1 ZINC000425456688 264329915 /nfs/dbraw/zinc/32/99/15/264329915.db2.gz JUTISZKDFFUBBK-INIZCTEOSA-N 0 3 273.376 2.984 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@](C)(F)C2)CC1 ZINC000334508141 264381321 /nfs/dbraw/zinc/38/13/21/264381321.db2.gz UUTXTXLZHOOKHM-INIZCTEOSA-N 0 3 297.418 2.561 20 30 CFEDHN C=C(C)CN1CCC([NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000182187877 264497312 /nfs/dbraw/zinc/49/73/12/264497312.db2.gz IEAVOWRSZHUNDT-UHFFFAOYSA-N 0 3 290.407 2.531 20 30 CFEDHN CC(C)Oc1ccc(CN[C@H]2CC[C@H](C#N)C2)cn1 ZINC000442707425 264574830 /nfs/dbraw/zinc/57/48/30/264574830.db2.gz GQLBQPFSPMHLDM-JSGCOSHPSA-N 0 3 259.353 2.651 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000356258825 266082425 /nfs/dbraw/zinc/08/24/25/266082425.db2.gz SPIFFUDTGGEVGW-JLJPHGGASA-N 0 3 287.407 2.734 20 30 CFEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)C(F)(F)F)cc1 ZINC000357055989 266240010 /nfs/dbraw/zinc/24/00/10/266240010.db2.gz WZSZJZABODPMNJ-LDYMZIIASA-N 0 3 286.253 2.574 20 30 CFEDHN CCOC[C@H]1CCCCN1CCOc1cccc(C#N)c1 ZINC000313478165 266284998 /nfs/dbraw/zinc/28/49/98/266284998.db2.gz CHHKCOKOOHGXAY-MRXNPFEDSA-N 0 3 288.391 2.828 20 30 CFEDHN C=C(C)CN[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000357407559 266292460 /nfs/dbraw/zinc/29/24/60/266292460.db2.gz ZNCIPYSVJBLGEU-QGZVFWFLSA-N 0 3 274.408 2.534 20 30 CFEDHN C=CCN(C)C(=O)NC[C@@H](N[C@@H](C)CC)c1ccco1 ZINC000357545364 266318563 /nfs/dbraw/zinc/31/85/63/266318563.db2.gz OSDHTSJQJQHJST-QWHCGFSZSA-N 0 3 279.384 2.536 20 30 CFEDHN C=CCN(CC=C)C(=O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000357723700 266351278 /nfs/dbraw/zinc/35/12/78/266351278.db2.gz AQTJGYNFXFNWQN-GOSISDBHSA-N 0 3 298.430 2.752 20 30 CFEDHN CC(C#N)C(=O)N(C)Cc1ccccc1OC(F)(F)F ZINC000357808520 266369154 /nfs/dbraw/zinc/36/91/54/266369154.db2.gz VTGURTUVUNEHAR-SECBINFHSA-N 0 3 286.253 2.703 20 30 CFEDHN COc1ccc(OC)c([C@H]2CCCN2C(=O)C(C)C#N)c1 ZINC000357809263 266369463 /nfs/dbraw/zinc/36/94/63/266369463.db2.gz VYWXWHYRHPOVBM-SMDDNHRTSA-N 0 3 288.347 2.527 20 30 CFEDHN CC(C#N)C(=O)NCCSc1ccc(Cl)cc1 ZINC000357836119 266374309 /nfs/dbraw/zinc/37/43/09/266374309.db2.gz VCIYAKYWVIVYJL-SECBINFHSA-N 0 3 268.769 2.708 20 30 CFEDHN CC(C#N)C(=O)NCCSc1ccc(Cl)cc1 ZINC000357836120 266374401 /nfs/dbraw/zinc/37/44/01/266374401.db2.gz VCIYAKYWVIVYJL-VIFPVBQESA-N 0 3 268.769 2.708 20 30 CFEDHN CC(C#N)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000357840143 266374491 /nfs/dbraw/zinc/37/44/91/266374491.db2.gz XNSNMNWOMFQEOF-CYBMUJFWSA-N 0 3 297.358 2.892 20 30 CFEDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(C)(C)C#N)N(C)C ZINC000357869271 266380225 /nfs/dbraw/zinc/38/02/25/266380225.db2.gz MBWZWOBTKDQMCM-HIFRSBDPSA-N 0 3 287.407 2.652 20 30 CFEDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(C)(C)C#N)N(C)C ZINC000357869274 266380273 /nfs/dbraw/zinc/38/02/73/266380273.db2.gz MBWZWOBTKDQMCM-ZFWWWQNUSA-N 0 3 287.407 2.652 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000357920494 266386003 /nfs/dbraw/zinc/38/60/03/266386003.db2.gz LNIDXAMGSJGDNW-BWZBUEFSSA-N 0 3 299.193 2.642 20 30 CFEDHN CC(C)[C@@H](CO)CN[C@H](C)c1ccc(C#N)cc1F ZINC000516267616 266938055 /nfs/dbraw/zinc/93/80/55/266938055.db2.gz JDCTWOFXDVPFCE-DGCLKSJQSA-N 0 3 264.344 2.612 20 30 CFEDHN C=C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000362611700 267021858 /nfs/dbraw/zinc/02/18/58/267021858.db2.gz FAAMMIDXDPVETG-HIFRSBDPSA-N 0 3 290.382 2.728 20 30 CFEDHN CCCC[C@H](ON=C(C)C)C(=O)N1CCCN(CC)CC1 ZINC000368003853 267133256 /nfs/dbraw/zinc/13/32/56/267133256.db2.gz BJOHBCZWBFQJGJ-HNNXBMFYSA-N 0 3 297.443 2.512 20 30 CFEDHN C[C@H](C#N)Oc1ccc(CN2CCC23CCOCC3)cc1 ZINC000368472784 267175748 /nfs/dbraw/zinc/17/57/48/267175748.db2.gz ASEZAGIXBJQQCY-CQSZACIVSA-N 0 3 286.375 2.732 20 30 CFEDHN C=CCN(CC)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000368794119 267206464 /nfs/dbraw/zinc/20/64/64/267206464.db2.gz FWSOIEPKUJINGP-UHFFFAOYSA-N 0 3 286.419 2.933 20 30 CFEDHN CC[C@@H]1CCCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000117346120 267211873 /nfs/dbraw/zinc/21/18/73/267211873.db2.gz XIIMWKJPLKQNFK-LSDHHAIUSA-N 0 3 279.428 2.507 20 30 CFEDHN N#CCCCN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000368911873 267212825 /nfs/dbraw/zinc/21/28/25/267212825.db2.gz QNHMAVGZGDCDQQ-HZPDHXFCSA-N 0 3 258.365 2.878 20 30 CFEDHN Clc1ccc(C#CCN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000368907521 267213139 /nfs/dbraw/zinc/21/31/39/267213139.db2.gz XEUULKVOEMZZHS-JKSUJKDBSA-N 0 3 275.779 2.849 20 30 CFEDHN Clc1ccc(C#CCN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000368907519 267213244 /nfs/dbraw/zinc/21/32/44/267213244.db2.gz XEUULKVOEMZZHS-HOTGVXAUSA-N 0 3 275.779 2.849 20 30 CFEDHN C=CCN1CC[C@@H](N2CCC(c3ccccc3)CC2)C1=O ZINC000369188010 267223943 /nfs/dbraw/zinc/22/39/43/267223943.db2.gz KVXMCSXNTHKUET-QGZVFWFLSA-N 0 3 284.403 2.653 20 30 CFEDHN CN(CCC#N)c1ccc(CN2CCC[C@H]3COC[C@H]32)cc1 ZINC000369217111 267226596 /nfs/dbraw/zinc/22/65/96/267226596.db2.gz WWAHSXALRCKHOK-FUHWJXTLSA-N 0 3 299.418 2.647 20 30 CFEDHN C=C(Br)CN1CCCN(C2CCCC2)CC1 ZINC000369526041 267247304 /nfs/dbraw/zinc/24/73/04/267247304.db2.gz QQXATVVQHHGSAQ-UHFFFAOYSA-N 0 3 287.245 2.845 20 30 CFEDHN C[C@@H]1OCC[C@]12CN(CC(C)(C)CCC#N)C[C@@H](C)O2 ZINC000369290878 267232547 /nfs/dbraw/zinc/23/25/47/267232547.db2.gz SMYSPXBGZWDBNJ-YCPHGPKFSA-N 0 3 280.412 2.585 20 30 CFEDHN C=CCCCCCN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000369555248 267250715 /nfs/dbraw/zinc/25/07/15/267250715.db2.gz AKVHYGBUYWAGKX-HUUCEWRRSA-N 0 3 253.386 2.613 20 30 CFEDHN CC[C@@H]1CN(CCCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000369798025 267266227 /nfs/dbraw/zinc/26/62/27/267266227.db2.gz APMUYSKSMARVMG-NVXWUHKLSA-N 0 3 294.439 2.976 20 30 CFEDHN CN(C)CC(C)(C)NCc1ccc(Cl)cc1C#N ZINC000459546342 267279054 /nfs/dbraw/zinc/27/90/54/267279054.db2.gz IBQQYBFZGSQGEE-UHFFFAOYSA-N 0 3 265.788 2.641 20 30 CFEDHN C#CCCOc1ccc(CN2CCOC[C@@H](C)C2)cc1 ZINC000370052651 267287046 /nfs/dbraw/zinc/28/70/46/267287046.db2.gz IUQMQFOIJWDFDH-HNNXBMFYSA-N 0 3 273.376 2.557 20 30 CFEDHN Cc1cc(NC[C@@H](C)N(C)Cc2ccccc2)c(C#N)cn1 ZINC000399558221 267299789 /nfs/dbraw/zinc/29/97/89/267299789.db2.gz FUJAGDZUKQBEAB-OAHLLOKOSA-N 0 3 294.402 2.616 20 30 CFEDHN C=CCC1(C(=O)N[C@H]2CCN(C3CCCC3)C2)CCC1 ZINC000370231989 267301440 /nfs/dbraw/zinc/30/14/40/267301440.db2.gz VDERKAGWYDTBFB-AWEZNQCLSA-N 0 3 276.424 2.866 20 30 CFEDHN C=CCCCCCN1CC[C@@](O)(C(F)(F)F)C1 ZINC000193373008 267301741 /nfs/dbraw/zinc/30/17/41/267301741.db2.gz IRAYNLBLDXCMAQ-NSHDSACASA-N 0 3 251.292 2.732 20 30 CFEDHN COc1ccccc1C[C@@H](C)NCC1(C#N)CCC1 ZINC000418145927 267366325 /nfs/dbraw/zinc/36/63/25/267366325.db2.gz ZODLJZRIZMOQML-CYBMUJFWSA-N 0 3 258.365 2.910 20 30 CFEDHN C#CCCOc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000371221320 267374383 /nfs/dbraw/zinc/37/43/83/267374383.db2.gz WECCLBJFFNNZLN-ZWKOTPCHSA-N 0 3 285.387 2.746 20 30 CFEDHN Cc1c([C@H]2CCCN2CCCSCC#N)cnn1C ZINC000371377767 267397790 /nfs/dbraw/zinc/39/77/90/267397790.db2.gz FMWFNOZYTXQEBO-CQSZACIVSA-N 0 3 278.425 2.512 20 30 CFEDHN C#CCOc1ccccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000374310861 267778120 /nfs/dbraw/zinc/77/81/20/267778120.db2.gz QODYSHCWTCFWQH-UHFFFAOYSA-N 0 3 295.386 2.801 20 30 CFEDHN C=C(C)CN(C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000305815599 268000906 /nfs/dbraw/zinc/00/09/06/268000906.db2.gz OIEHBOVTZTYQBI-SJLPKXTDSA-N 0 3 289.419 2.949 20 30 CFEDHN C=CCOc1ccccc1CN1CCC[C@@H](C(=O)OC)C1 ZINC000123222466 268016492 /nfs/dbraw/zinc/01/64/92/268016492.db2.gz JHGXXIOVBWHASL-OAHLLOKOSA-N 0 3 289.375 2.636 20 30 CFEDHN Cc1cc(C(C#N)C(=O)c2ccc(C#N)cc2C)nc(C)n1 ZINC000439556219 268019438 /nfs/dbraw/zinc/01/94/38/268019438.db2.gz KCIRTHVICXZNMS-OAHLLOKOSA-N 0 3 290.326 2.764 20 30 CFEDHN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000377100858 268047191 /nfs/dbraw/zinc/04/71/91/268047191.db2.gz RAXFFPFRMQMJLM-WBVHZDCISA-N 0 3 284.403 2.569 20 30 CFEDHN Cc1c(C#N)cccc1NC(=O)C1CCN(C2CC2)CC1 ZINC000192755838 270233769 /nfs/dbraw/zinc/23/37/69/270233769.db2.gz PVPOZDZZRYYCAH-UHFFFAOYSA-N 0 3 283.375 2.680 20 30 CFEDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc(F)c(C#N)c1 ZINC000528759334 270662121 /nfs/dbraw/zinc/66/21/21/270662121.db2.gz UASPKSDSIGJPBB-KIGUWFBYSA-N 0 3 262.328 2.599 20 30 CFEDHN C#CCCCCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000179632624 273477493 /nfs/dbraw/zinc/47/74/93/273477493.db2.gz ANATZSFACMCXJB-MRXNPFEDSA-N 0 3 272.392 2.599 20 30 CFEDHN CC(C)C[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000271248435 273518273 /nfs/dbraw/zinc/51/82/73/273518273.db2.gz GVXQPTDBYQCYRZ-AWEZNQCLSA-N 0 3 272.396 2.510 20 30 CFEDHN CC[C@@](C)(O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352837802 273738419 /nfs/dbraw/zinc/73/84/19/273738419.db2.gz BTFOMUIQIRWVFB-CYBMUJFWSA-N 0 3 286.297 2.828 20 30 CFEDHN N#Cc1ccc(N2CC[C@@H](N3CCCCC3)C2)c(F)c1 ZINC000110258979 274924604 /nfs/dbraw/zinc/92/46/04/274924604.db2.gz LQQXXSPTYRFZMK-CQSZACIVSA-N 0 3 273.355 2.762 20 30 CFEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1c3ccccc3C[C@@H]1O)CC2 ZINC000353261893 274927124 /nfs/dbraw/zinc/92/71/24/274927124.db2.gz VJUNWJDZLGAZGI-CEXWTWQISA-N 0 3 290.366 2.793 20 30 CFEDHN C#CCN(C)CCCN[C@@H](C)c1cccc(F)c1F ZINC000295061526 275380426 /nfs/dbraw/zinc/38/04/26/275380426.db2.gz RHDDRQZIVPCROP-LBPRGKRZSA-N 0 3 266.335 2.571 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1ccc(OC)c(OC)c1C ZINC000286237863 275434239 /nfs/dbraw/zinc/43/42/39/275434239.db2.gz TXCBWLRHTJACIY-QWHCGFSZSA-N 0 3 279.380 2.600 20 30 CFEDHN C=C[C@H](CO)N[C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353567665 275438384 /nfs/dbraw/zinc/43/83/84/275438384.db2.gz HGTHGQAMPQLEMR-ABAIWWIYSA-N 0 3 261.365 2.554 20 30 CFEDHN CCCNC(=O)[C@@H]1CCCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118395330 276016338 /nfs/dbraw/zinc/01/63/38/276016338.db2.gz HDIQYISYADBRON-WMLDXEAASA-N 0 3 299.418 2.857 20 30 CFEDHN CCN(C)C(=O)[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000453298449 276067816 /nfs/dbraw/zinc/06/78/16/276067816.db2.gz XUIHWWXNVPNUJL-SJORKVTESA-N 0 3 299.418 2.638 20 30 CFEDHN CCN(CC#Cc1ccc(C(F)(F)F)cc1)[C@H](C)CO ZINC000292292698 276078996 /nfs/dbraw/zinc/07/89/96/276078996.db2.gz UKAREARNBHEGKF-GFCCVEGCSA-N 0 3 285.309 2.760 20 30 CFEDHN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@@H]1O ZINC000334558459 276131894 /nfs/dbraw/zinc/13/18/94/276131894.db2.gz SNDYHIVFCPWVFY-ZDUSSCGKSA-N 0 3 250.386 2.553 20 30 CFEDHN C=CCC[C@H](O)CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000292695327 276888278 /nfs/dbraw/zinc/88/82/78/276888278.db2.gz KMEFWYPKKCLFBZ-DLBZAZTESA-N 0 3 289.419 2.807 20 30 CFEDHN CN1Cc2ccccc2[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000372882158 277210802 /nfs/dbraw/zinc/21/08/02/277210802.db2.gz OMSRGFWIOKTGPC-SFHVURJKSA-N 0 3 277.371 2.835 20 30 CFEDHN CC(C#N)C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000335727445 278132532 /nfs/dbraw/zinc/13/25/32/278132532.db2.gz QXHYMBZSCAGXIC-SNVBAGLBSA-N 0 3 287.750 2.797 20 30 CFEDHN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451913463 278306239 /nfs/dbraw/zinc/30/62/39/278306239.db2.gz SOYNVFOTHLUYKF-HONMWMINSA-N 0 3 298.308 2.864 20 30 CFEDHN Cc1ccc(NC[C@H](c2ccccc2)N(C)C)nc1C#N ZINC000302722841 278835046 /nfs/dbraw/zinc/83/50/46/278835046.db2.gz QCCZMFOTUCUDOC-MRXNPFEDSA-N 0 3 280.375 2.977 20 30 CFEDHN C[C@@H]1C[C@H]1N1CCN(c2ccc(C#N)cc2F)C[C@@H](C)C1 ZINC000488726257 279007980 /nfs/dbraw/zinc/00/79/80/279007980.db2.gz FDHUAPACSUFGPC-PBFPGSCMSA-N 0 3 287.382 2.864 20 30 CFEDHN CCN(C(=O)[C@H](C)C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000344083877 279009056 /nfs/dbraw/zinc/00/90/56/279009056.db2.gz ZYOCPRISQNFOQR-BFYDXBDKSA-N 0 3 299.418 2.830 20 30 CFEDHN C[C@H]1CCCC[C@@H]1CN1CCN(c2ncccc2C#N)CC1 ZINC000346139464 279653857 /nfs/dbraw/zinc/65/38/57/279653857.db2.gz VNOOVABXHRPRLX-DOTOQJQBSA-N 0 3 298.434 2.902 20 30 CFEDHN CCOC(=O)CC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000130239081 280701310 /nfs/dbraw/zinc/70/13/10/280701310.db2.gz TZKPHNFYJDBSGO-UHFFFAOYSA-N 0 3 286.375 2.723 20 30 CFEDHN C[C@@H]1CCCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248746758 281034055 /nfs/dbraw/zinc/03/40/55/281034055.db2.gz NJJSDUHBYUJZTE-PBHICJAKSA-N 0 3 297.402 2.928 20 30 CFEDHN C[C@@H](N[C@@H]1CCn2ccnc2C1)c1ccc(C#N)cc1F ZINC000547979801 281762504 /nfs/dbraw/zinc/76/25/04/281762504.db2.gz MDKWPMDRWVLOOI-DGCLKSJQSA-N 0 3 284.338 2.559 20 30 CFEDHN C[C@H](C(=O)N(C)c1cccc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000560828620 282042984 /nfs/dbraw/zinc/04/29/84/282042984.db2.gz ZAGMIKILVMNCKX-HZSPNIEDSA-N 0 3 285.391 2.782 20 30 CFEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)c1ccc(C#N)cc1 ZINC000224768320 290055938 /nfs/dbraw/zinc/05/59/38/290055938.db2.gz VVOUEMXZBUZXNP-KNXALSJPSA-N 0 3 256.349 2.776 20 30 CFEDHN CC(C)N1C[C@H](Nc2ncc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000563018463 290093867 /nfs/dbraw/zinc/09/38/67/290093867.db2.gz IBLHCTZAVHZDKG-LRDDRELGSA-N 0 3 284.407 2.583 20 30 CFEDHN CCC(CC)N(CC)Cc1cnc2c(C#N)cnn2c1 ZINC000563151621 290109208 /nfs/dbraw/zinc/10/92/08/290109208.db2.gz YYRUCVXKHOCMBA-UHFFFAOYSA-N 0 3 271.368 2.611 20 30 CFEDHN C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000563216186 290119009 /nfs/dbraw/zinc/11/90/09/290119009.db2.gz HQUMZTBFESQPOH-QWRGUYRKSA-N 0 3 259.309 2.554 20 30 CFEDHN CCC[C@H]1CCCC[C@H]1NCc1ncc(C#N)cn1 ZINC000563616701 290164078 /nfs/dbraw/zinc/16/40/78/290164078.db2.gz BTALOAGZBJXIGW-UONOGXRCSA-N 0 3 258.369 2.797 20 30 CFEDHN C[C@H]1CCCC[C@H]1CCNCc1cnc2c(C#N)cnn2c1 ZINC000566245845 290361944 /nfs/dbraw/zinc/36/19/44/290361944.db2.gz VWOPKMJTIWXUKP-ZFWWWQNUSA-N 0 3 297.406 2.907 20 30 CFEDHN N#C[C@@H]1CC[C@@H](NC[C@@H]2CSc3ccccc3O2)C1 ZINC000575311760 335092107 /nfs/dbraw/zinc/09/21/07/335092107.db2.gz WQEZEDVHASMQAF-JHJVBQTASA-N 0 3 274.389 2.822 20 30 CFEDHN C=C(C)COCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125615950 328000072 /nfs/dbraw/zinc/00/00/72/328000072.db2.gz VFVODUDMSNZKRT-GFCCVEGCSA-N 0 3 264.325 2.838 20 30 CFEDHN C=CCCCCCN1CCO[C@@H]2CCN(CC)C[C@@H]21 ZINC000339391669 328009367 /nfs/dbraw/zinc/00/93/67/328009367.db2.gz BYRVJULMMIHZOG-JKSUJKDBSA-N 0 3 266.429 2.528 20 30 CFEDHN C=CCCCCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000563373758 328058143 /nfs/dbraw/zinc/05/81/43/328058143.db2.gz MKFOBWAPRSKKQA-OAHLLOKOSA-N 0 3 279.428 2.611 20 30 CFEDHN C[C@H]1[C@@H](CO)CCCN1CC#Cc1ccc(Cl)cc1 ZINC000412083411 328103378 /nfs/dbraw/zinc/10/33/78/328103378.db2.gz NAYQAICAEZCHDB-DZGCQCFKSA-N 0 3 277.795 2.784 20 30 CFEDHN CCC[C@@H](NC(C)C)C(=O)Nc1cccc(CC#N)c1 ZINC000412395619 328109869 /nfs/dbraw/zinc/10/98/69/328109869.db2.gz ADORXRQPVCAQOG-OAHLLOKOSA-N 0 3 273.380 2.858 20 30 CFEDHN N#CCCSC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000413015232 328140401 /nfs/dbraw/zinc/14/04/01/328140401.db2.gz SQNFHYFYFHTUJY-INIZCTEOSA-N 0 3 290.432 2.924 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCOC2(CCCC2)C1 ZINC000571614966 328137829 /nfs/dbraw/zinc/13/78/29/328137829.db2.gz ULACEYIBBUYAFD-KGLIPLIRSA-N 0 3 261.369 2.511 20 30 CFEDHN CCN(Cc1ccc(OCC#N)cc1)C[C@H]1CCCO1 ZINC000264955365 328163476 /nfs/dbraw/zinc/16/34/76/328163476.db2.gz CXUQHIAINSWRQM-MRXNPFEDSA-N 0 3 274.364 2.590 20 30 CFEDHN N#CCOc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000266904380 328170396 /nfs/dbraw/zinc/17/03/96/328170396.db2.gz HIYDNQHFFUEKRV-OAHLLOKOSA-N 0 3 296.374 2.692 20 30 CFEDHN CC(C)CO[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000268346951 328184236 /nfs/dbraw/zinc/18/42/36/328184236.db2.gz BYABZHFKEYFWAK-QGZVFWFLSA-N 0 3 288.391 2.836 20 30 CFEDHN COC(=O)C[C@@](C)(NCCCCC#N)c1cccc(F)c1 ZINC000353165847 328189821 /nfs/dbraw/zinc/18/98/21/328189821.db2.gz JBEJOZTUAJKVBM-MRXNPFEDSA-N 0 3 292.354 2.887 20 30 CFEDHN COCCOc1ccc([C@@H](C)NCCCC#N)cc1OC ZINC000271811452 328197701 /nfs/dbraw/zinc/19/77/01/328197701.db2.gz ULVZJAUYDLUQLZ-CYBMUJFWSA-N 0 3 292.379 2.675 20 30 CFEDHN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc2c(c1)CC(=O)N2C ZINC000274229873 328209920 /nfs/dbraw/zinc/20/99/20/328209920.db2.gz SCQZJXOBPWEJHW-HEHGZKQESA-N 0 3 297.402 2.938 20 30 CFEDHN CN(C)CCc1ccccc1NC(=O)C1(C#N)CCCC1 ZINC000275658655 328215810 /nfs/dbraw/zinc/21/58/10/328215810.db2.gz QPOGFLWMTLAABO-UHFFFAOYSA-N 0 3 285.391 2.813 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000177576600 329184859 /nfs/dbraw/zinc/18/48/59/329184859.db2.gz QKSXXWICMOPXRZ-GASCZTMLSA-N 0 3 264.413 2.533 20 30 CFEDHN CN(C)Cc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 ZINC000278966906 328232320 /nfs/dbraw/zinc/23/23/20/328232320.db2.gz IOIIRQVVQGUAHW-UHFFFAOYSA-N 0 3 284.363 2.890 20 30 CFEDHN CN(C)Cc1ccc(C(=O)NCC2CCC(C#N)CC2)cc1 ZINC000282685463 328243102 /nfs/dbraw/zinc/24/31/02/328243102.db2.gz LKQMTFFVDPSMKN-UHFFFAOYSA-N 0 3 299.418 2.808 20 30 CFEDHN Cc1cn[nH]c1CN[C@H](CCC#N)c1ccccc1 ZINC000289556855 328255249 /nfs/dbraw/zinc/25/52/49/328255249.db2.gz QOVZAECSEXJFHX-CQSZACIVSA-N 0 3 254.337 2.853 20 30 CFEDHN C[C@@H](NC(C)(C)CNC(=O)CCCC#N)c1ccccc1 ZINC000290912922 328261015 /nfs/dbraw/zinc/26/10/15/328261015.db2.gz AGEGRZXLZHGQPR-CQSZACIVSA-N 0 3 287.407 2.926 20 30 CFEDHN C=CCN1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439481420 328266610 /nfs/dbraw/zinc/26/66/10/328266610.db2.gz ZCSFPGGYCAYQDF-SWLSCSKDSA-N 0 3 251.370 2.616 20 30 CFEDHN CN(C[C@@H]1OCCc2ccccc21)[C@H]1CC[C@H](C#N)C1 ZINC000293269427 328275014 /nfs/dbraw/zinc/27/50/14/328275014.db2.gz XXMYEOWJTOXJKT-QRTARXTBSA-N 0 3 270.376 2.924 20 30 CFEDHN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C#N)C1 ZINC000293603875 328277122 /nfs/dbraw/zinc/27/71/22/328277122.db2.gz PESZQHJNVHIUAZ-JSGCOSHPSA-N 0 3 273.336 2.761 20 30 CFEDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000294127957 328279320 /nfs/dbraw/zinc/27/93/20/328279320.db2.gz NOTWAXAGVKGSNV-ZIAGYGMSSA-N 0 3 273.336 2.761 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001085531624 782087745 /nfs/dbraw/zinc/08/77/45/782087745.db2.gz WRQFISNNRGVYPP-CYBMUJFWSA-N 0 3 278.421 2.779 20 30 CFEDHN C=CCCN1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001085531625 782088236 /nfs/dbraw/zinc/08/82/36/782088236.db2.gz WRQFISNNRGVYPP-ZDUSSCGKSA-N 0 3 278.421 2.779 20 30 CFEDHN CS[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000296262836 328289885 /nfs/dbraw/zinc/28/98/85/328289885.db2.gz LXDYCNJLYWSQIC-CQSZACIVSA-N 0 3 262.378 2.526 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085532153 782089494 /nfs/dbraw/zinc/08/94/94/782089494.db2.gz IDUKXVYWPBLMHL-MWDXBVQZSA-N 0 3 290.451 2.922 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085533561 782090001 /nfs/dbraw/zinc/09/00/01/782090001.db2.gz OLMOZYUUKOWQEK-WCVJEAGWSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085535882 782090356 /nfs/dbraw/zinc/09/03/56/782090356.db2.gz RBHAQFFLHAHGKC-CAOSSQGBSA-N 0 3 276.424 2.531 20 30 CFEDHN C=C(C)[C@@H](CC(=O)N1CCCN(C(C)(C)C)CC1)OCC ZINC000534481538 328304171 /nfs/dbraw/zinc/30/41/71/328304171.db2.gz BKZSRSUHBVLPEO-OAHLLOKOSA-N 0 3 296.455 2.691 20 30 CFEDHN CN1CCN(Cc2ccc(C#N)cc2Cl)CC1(C)C ZINC000162907647 322370191 /nfs/dbraw/zinc/37/01/91/322370191.db2.gz KMNBHVAFEZZEQV-UHFFFAOYSA-N 0 3 277.799 2.738 20 30 CFEDHN C=C[C@@H](CC(=O)NC[C@@H](C)N1CCCC1)c1ccccc1 ZINC000534799568 328362139 /nfs/dbraw/zinc/36/21/39/328362139.db2.gz CSHNCIZYEXVDMW-CVEARBPZSA-N 0 3 286.419 2.947 20 30 CFEDHN C=CCOc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1 ZINC000541890316 328364426 /nfs/dbraw/zinc/36/44/26/328364426.db2.gz POUFUXMEPXOFAL-ZBFHGGJFSA-N 0 3 275.392 2.844 20 30 CFEDHN C=CCCC1(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000575319113 335092996 /nfs/dbraw/zinc/09/29/96/335092996.db2.gz HAPGFNGLNIVZHB-AWEZNQCLSA-N 0 3 278.440 2.922 20 30 CFEDHN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000179098045 323733388 /nfs/dbraw/zinc/73/33/88/323733388.db2.gz AVWHAWPROAZIBB-HUUCEWRRSA-N 0 3 262.328 2.745 20 30 CFEDHN N#Cc1ccc(CN2CCc3ccccc3CC2)nc1 ZINC000577821941 324782993 /nfs/dbraw/zinc/78/29/93/324782993.db2.gz JEBZFKQVYAKJFC-UHFFFAOYSA-N 0 3 263.344 2.554 20 30 CFEDHN CCC[C@@]1(CO)CCN(Cc2cc(C#N)cs2)C1 ZINC000580602261 325049872 /nfs/dbraw/zinc/04/98/72/325049872.db2.gz CPIFIRVFNZNZNC-CQSZACIVSA-N 0 3 264.394 2.604 20 30 CFEDHN CCCN(CCN1CCCCC1)Cc1ccc(C#N)cn1 ZINC000582674516 325225496 /nfs/dbraw/zinc/22/54/96/325225496.db2.gz QZGIDKUHGFYQIK-UHFFFAOYSA-N 0 3 286.423 2.651 20 30 CFEDHN COc1cc(CN[C@H]2CCc3cc(N)ccc32)ccc1C#N ZINC000584302543 325345645 /nfs/dbraw/zinc/34/56/45/325345645.db2.gz HCHRNGBPKOSIKX-KRWDZBQOSA-N 0 3 293.370 2.926 20 30 CFEDHN C=CC[C@H](CC)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000346050097 328569955 /nfs/dbraw/zinc/56/99/55/328569955.db2.gz BHVYCTRJXGIICF-AWEZNQCLSA-N 0 3 281.444 2.905 20 30 CFEDHN CO[C@H]1C[C@@H](N(C)CCC(C)(C)C#N)C12CCC2 ZINC000451852606 331044829 /nfs/dbraw/zinc/04/48/29/331044829.db2.gz NWKJGNGDWKFNDU-OLZOCXBDSA-N 0 3 250.386 2.816 20 30 CFEDHN N#CC1(C(=O)N2CCC[C@H](N3CCCC3)C2)CCCCC1 ZINC000334748591 327009275 /nfs/dbraw/zinc/00/92/75/327009275.db2.gz TZDYLHOMXKRUSG-HNNXBMFYSA-N 0 3 289.423 2.547 20 30 CFEDHN CN(CCCSCC#N)Cc1ccccc1F ZINC000074980597 327122482 /nfs/dbraw/zinc/12/24/82/327122482.db2.gz WQMRMSXNGWDZLN-UHFFFAOYSA-N 0 3 252.358 2.904 20 30 CFEDHN C=CCOCCN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000559109121 327141909 /nfs/dbraw/zinc/14/19/09/327141909.db2.gz HRVBKMLEKGDXNF-CQSZACIVSA-N 0 3 283.412 2.633 20 30 CFEDHN CC[C@H](CO)N(C)Cc1cccc(OCCCC#N)c1 ZINC000449377790 327181234 /nfs/dbraw/zinc/18/12/34/327181234.db2.gz UNWCVENWYKFVKX-OAHLLOKOSA-N 0 3 276.380 2.572 20 30 CFEDHN C=C(C)COc1cc(CN[C@H]2CO[C@@H](C)C2)ccc1OC ZINC000564655826 327196267 /nfs/dbraw/zinc/19/62/67/327196267.db2.gz MGWIRBOEFGYALO-DZGCQCFKSA-N 0 3 291.391 2.917 20 30 CFEDHN CC(C#N)C(=O)N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000565028214 327399301 /nfs/dbraw/zinc/39/93/01/327399301.db2.gz GGHOFMBNSZKHNE-FRRDWIJNSA-N 0 3 296.374 2.865 20 30 CFEDHN N#CC1(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)CCC1 ZINC000561867324 327426391 /nfs/dbraw/zinc/42/63/91/327426391.db2.gz RRBVQSDWQXMHII-KRWDZBQOSA-N 0 3 297.402 2.680 20 30 CFEDHN C=CCC[C@H](O)CN1CC(Cc2ccccc2F)C1 ZINC000378325439 329045966 /nfs/dbraw/zinc/04/59/66/329045966.db2.gz FRYSWJXIHBJTQA-HNNXBMFYSA-N 0 3 263.356 2.627 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](C)CC)CC1 ZINC000171557007 329077538 /nfs/dbraw/zinc/07/75/38/329077538.db2.gz ZEJWTPVYMGONIF-KBPBESRZSA-N 0 3 281.444 2.761 20 30 CFEDHN C=CCCCCCN(C)[C@H](C)C(=O)N[C@@H](C)CC ZINC000172654364 329136270 /nfs/dbraw/zinc/13/62/70/329136270.db2.gz FITBRQMTKKIZQT-UONOGXRCSA-N 0 3 254.418 2.968 20 30 CFEDHN C=CCCCCN1CCN(c2ccc(OC)cn2)CC1 ZINC000582766858 329158863 /nfs/dbraw/zinc/15/88/63/329158863.db2.gz PNESLCHVBPENQD-UHFFFAOYSA-N 0 3 275.396 2.569 20 30 CFEDHN CC#CCN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000174906300 329161847 /nfs/dbraw/zinc/16/18/47/329161847.db2.gz DUMZXRDZRNDFDB-QGZVFWFLSA-N 0 3 257.377 2.772 20 30 CFEDHN C=CCN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175318221 329164559 /nfs/dbraw/zinc/16/45/59/329164559.db2.gz WMNTYSOKPGSJRZ-UHFFFAOYSA-N 0 3 272.392 2.509 20 30 CFEDHN C=CCCCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000175542169 329169634 /nfs/dbraw/zinc/16/96/34/329169634.db2.gz KUALTKGODARXTR-HNNXBMFYSA-N 0 3 264.413 2.820 20 30 CFEDHN C=CCC[C@@H](O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000178036648 329191621 /nfs/dbraw/zinc/19/16/21/329191621.db2.gz TYWGCZBTYFCZFW-QGZVFWFLSA-N 0 3 273.376 2.808 20 30 CFEDHN C=CCOc1cccc(CN2CCCO[C@H](C)C2)c1 ZINC000179396386 329204986 /nfs/dbraw/zinc/20/49/86/329204986.db2.gz VKCZNFZRZKQGOT-CQSZACIVSA-N 0 3 261.365 2.862 20 30 CFEDHN C=CCC[C@@H](CO)N[C@H](C)c1cc(C)ccc1OC ZINC000321021992 329214332 /nfs/dbraw/zinc/21/43/32/329214332.db2.gz OKQZNXFRLJETJM-KGLIPLIRSA-N 0 3 263.381 2.981 20 30 CFEDHN C=C(C)CN(C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000181043849 329225223 /nfs/dbraw/zinc/22/52/23/329225223.db2.gz DGEBPSDWONWXNR-UHFFFAOYSA-N 0 3 256.353 2.584 20 30 CFEDHN C=C(C)CN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000181076182 329225805 /nfs/dbraw/zinc/22/58/05/329225805.db2.gz VDCOXWNLBUBOGK-HNNXBMFYSA-N 0 3 289.423 2.724 20 30 CFEDHN C=C(C)CN(C)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000181252245 329227427 /nfs/dbraw/zinc/22/74/27/329227427.db2.gz ZHBZGHIDGFFHAZ-HNNXBMFYSA-N 0 3 263.381 2.551 20 30 CFEDHN C=CCN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181295413 329230291 /nfs/dbraw/zinc/23/02/91/329230291.db2.gz VAGIUHQVZZGWAH-CQSZACIVSA-N 0 3 268.364 2.837 20 30 CFEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000183470054 329247804 /nfs/dbraw/zinc/24/78/04/329247804.db2.gz ATQZDLMWYTWBOP-XHSDSOJGSA-N 0 3 293.455 2.857 20 30 CFEDHN C=CC[C@@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000184268222 329258448 /nfs/dbraw/zinc/25/84/48/329258448.db2.gz YHUZEPFGKRBMSG-LBPRGKRZSA-N 0 3 299.798 2.774 20 30 CFEDHN CC[C@H]1[C@@H](C)CCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000185647687 329328348 /nfs/dbraw/zinc/32/83/48/329328348.db2.gz QKLFWOJYIJNPSF-GJZGRUSLSA-N 0 3 291.439 2.792 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000186240219 329340245 /nfs/dbraw/zinc/34/02/45/329340245.db2.gz BRVCYROFMPYCMQ-NVXWUHKLSA-N 0 3 278.440 2.825 20 30 CFEDHN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H](C)C1 ZINC000187963055 329361891 /nfs/dbraw/zinc/36/18/91/329361891.db2.gz FRKIHLWMFYJLKQ-CQSZACIVSA-N 0 3 252.402 2.533 20 30 CFEDHN C=CCC1(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CCC1 ZINC000188041017 329363836 /nfs/dbraw/zinc/36/38/36/329363836.db2.gz FAYYCWPQGJCUGJ-KBPBESRZSA-N 0 3 264.413 2.674 20 30 CFEDHN CO[C@@H](C)[C@H](C)NCc1cccc(OCCCC#N)c1 ZINC000189118954 329377875 /nfs/dbraw/zinc/37/78/75/329377875.db2.gz INQLXTBLPFUDBQ-KBPBESRZSA-N 0 3 276.380 2.882 20 30 CFEDHN C=CCOc1ccccc1CNC[C@H](O)CC(F)(F)F ZINC000583807599 329480090 /nfs/dbraw/zinc/48/00/90/329480090.db2.gz RQJUBEHQWXLRJJ-GFCCVEGCSA-N 0 3 289.297 2.654 20 30 CFEDHN CC#CCN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418495078 329532284 /nfs/dbraw/zinc/53/22/84/329532284.db2.gz ABIRYHNBBZCTRO-QGZVFWFLSA-N 0 3 295.386 2.504 20 30 CFEDHN C=CCC1(CN[C@H](C(N)=O)c2ccccc2)CCCC1 ZINC000419253214 329714568 /nfs/dbraw/zinc/71/45/68/329714568.db2.gz IMQDHBHEKPFCMZ-HNNXBMFYSA-N 0 3 272.392 2.939 20 30 CFEDHN N#CCc1ccccc1NC(=O)C1CN(C2CCCCC2)C1 ZINC000572302275 329971080 /nfs/dbraw/zinc/97/10/80/329971080.db2.gz AJRRVACXWQCGMP-UHFFFAOYSA-N 0 3 297.402 2.956 20 30 CFEDHN CC(C)CN1CCN(CC(C)(C)CCC#N)CC1 ZINC000162413849 330022639 /nfs/dbraw/zinc/02/26/39/330022639.db2.gz RPMSBOSVYMIQOU-UHFFFAOYSA-N 0 3 251.418 2.590 20 30 CFEDHN N=C(NCCOC1CCCC1)Nc1cc(F)ccc1F ZINC000262328344 330006281 /nfs/dbraw/zinc/00/62/81/330006281.db2.gz XJKPREJCVYBFFU-UHFFFAOYSA-N 0 3 283.322 2.651 20 30 CFEDHN CCc1noc(C)c1CNC(=N)Nc1cc(F)ccc1F ZINC000263117370 330044513 /nfs/dbraw/zinc/04/45/13/330044513.db2.gz LPHKRBWOADKXLZ-UHFFFAOYSA-N 0 3 294.305 2.750 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cc[nH]c2CCC)CC1 ZINC000421767366 330077178 /nfs/dbraw/zinc/07/71/78/330077178.db2.gz KMZTUIUPJZHQKV-UHFFFAOYSA-N 0 3 289.423 2.738 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)c2cccc(F)c2C)CC1 ZINC000421768021 330077200 /nfs/dbraw/zinc/07/72/00/330077200.db2.gz MRAJUTRWFMQTCA-UHFFFAOYSA-N 0 3 290.382 2.904 20 30 CFEDHN C#CCN(CCCc1nc(-c2ccccc2)no1)C1CC1 ZINC000274138723 330103287 /nfs/dbraw/zinc/10/32/87/330103287.db2.gz JNVRVWMWSGQPHQ-UHFFFAOYSA-N 0 3 281.359 2.767 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@H]1CCCN(Cc2ccccc2)C1 ZINC000580435277 330133459 /nfs/dbraw/zinc/13/34/59/330133459.db2.gz RNCBKUAYMDMJNZ-MSOLQXFVSA-N 0 3 296.418 2.684 20 30 CFEDHN C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CCNCC2)cn1 ZINC000423232067 330180631 /nfs/dbraw/zinc/18/06/31/330180631.db2.gz MGTMVSOECZESQB-ZIAGYGMSSA-N 0 3 274.412 2.504 20 30 CFEDHN C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CCNCC2)cn1 ZINC000423232065 330180718 /nfs/dbraw/zinc/18/07/18/330180718.db2.gz MGTMVSOECZESQB-KGLIPLIRSA-N 0 3 274.412 2.504 20 30 CFEDHN CC[C@@H](NC(=O)[C@@H](N)CCCC#N)c1ccc(C)cc1 ZINC000424065492 330219239 /nfs/dbraw/zinc/21/92/39/330219239.db2.gz LYMDYDXYHZCBRN-LSDHHAIUSA-N 0 3 273.380 2.584 20 30 CFEDHN CC[C@H](NC(=O)[C@H](N)CCCC#N)c1ccc(C)cc1 ZINC000424065488 330219266 /nfs/dbraw/zinc/21/92/66/330219266.db2.gz LYMDYDXYHZCBRN-CABCVRRESA-N 0 3 273.380 2.584 20 30 CFEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000424069397 330219755 /nfs/dbraw/zinc/21/97/55/330219755.db2.gz PNDFTVJRRSFDEZ-LSDHHAIUSA-N 0 3 289.354 2.510 20 30 CFEDHN Cc1cc(C)c(NC(=O)[C@@H](N)CCCC#N)c(C)c1 ZINC000424081610 330219830 /nfs/dbraw/zinc/21/98/30/330219830.db2.gz VMFSSSTYTYJJLN-ZDUSSCGKSA-N 0 3 259.353 2.572 20 30 CFEDHN CC(C)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424071041 330219927 /nfs/dbraw/zinc/21/99/27/330219927.db2.gz YXTOABSTSRAYTN-CQSZACIVSA-N 0 3 259.353 2.770 20 30 CFEDHN CCc1cccc(C)c1NC(=O)[C@@H](N)CCCC#N ZINC000424072190 330220259 /nfs/dbraw/zinc/22/02/59/330220259.db2.gz CPFBDLFIZJEPLM-ZDUSSCGKSA-N 0 3 259.353 2.517 20 30 CFEDHN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H](N)CCCC#N ZINC000424079645 330221786 /nfs/dbraw/zinc/22/17/86/330221786.db2.gz RMFMRQASKFTBOJ-YOEHRIQHSA-N 0 3 299.418 2.835 20 30 CFEDHN CC[C@H](NC(=O)[C@@H](N)CCCC#N)c1cccc(Cl)c1 ZINC000424083309 330222317 /nfs/dbraw/zinc/22/23/17/330222317.db2.gz AVXFFEUTFFBXFK-KBPBESRZSA-N 0 3 293.798 2.928 20 30 CFEDHN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H](N)CCCC#N ZINC000424085398 330222869 /nfs/dbraw/zinc/22/28/69/330222869.db2.gz CUTCNENYVFFAHP-SMDDNHRTSA-N 0 3 293.798 2.881 20 30 CFEDHN CC(C)CCN(C(=O)[C@@H](N)CCCC#N)C1CCCC1 ZINC000424096385 330227151 /nfs/dbraw/zinc/22/71/51/330227151.db2.gz OZOPVZWFNJMYTF-HNNXBMFYSA-N 0 3 279.428 2.825 20 30 CFEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000424115311 330243109 /nfs/dbraw/zinc/24/31/09/330243109.db2.gz ACIYGQUGDTXOAB-GFCCVEGCSA-N 0 3 299.296 2.751 20 30 CFEDHN Cc1c(NC(=O)[C@@H](N)CCCC#N)sc2c1CCCC2 ZINC000424115685 330243412 /nfs/dbraw/zinc/24/34/12/330243412.db2.gz AWRROLDJGKEWLH-LBPRGKRZSA-N 0 3 291.420 2.895 20 30 CFEDHN Cc1nc(CC(C)C)c(NC(=O)[C@H](N)CCCC#N)s1 ZINC000424122757 330254788 /nfs/dbraw/zinc/25/47/88/330254788.db2.gz JFNXAWYLKVYVAJ-LLVKDONJSA-N 0 3 294.424 2.610 20 30 CFEDHN Cc1ccc(NC(=O)[C@H](N)CCCC#N)cc1-c1ncco1 ZINC000424127837 330259456 /nfs/dbraw/zinc/25/94/56/330259456.db2.gz QVZBMQQKGSEBBB-CQSZACIVSA-N 0 3 298.346 2.610 20 30 CFEDHN C=CC[C@H](CO)NCc1ccsc1C(F)(F)F ZINC000527690332 330279292 /nfs/dbraw/zinc/27/92/92/330279292.db2.gz DXMMZOCGZOYJBQ-SECBINFHSA-N 0 3 265.300 2.794 20 30 CFEDHN Cc1ccccc1[C@@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424141869 330283724 /nfs/dbraw/zinc/28/37/24/330283724.db2.gz PFCIBHLZKCDTQR-CVEARBPZSA-N 0 3 287.407 2.830 20 30 CFEDHN Cn1cc2ccc(CN[C@H]3CCC[C@H](C#N)C3)cc2n1 ZINC000527967170 330301225 /nfs/dbraw/zinc/30/12/25/330301225.db2.gz XEJUNKJCIVSQTJ-WFASDCNBSA-N 0 3 268.364 2.745 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CNCc1ncc(C(F)(F)F)s1 ZINC000424180017 330318670 /nfs/dbraw/zinc/31/86/70/330318670.db2.gz ZVHAGCUECJUYCU-IUCAKERBSA-N 0 3 292.326 2.843 20 30 CFEDHN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H](N)CCCC#N ZINC000424192570 330323819 /nfs/dbraw/zinc/32/38/19/330323819.db2.gz PHYOYWIDKDURKR-ZDUSSCGKSA-N 0 3 289.379 2.784 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccc(-n3ccnc3)cc2)C1 ZINC000424200884 330326622 /nfs/dbraw/zinc/32/66/22/330326622.db2.gz RKRYJDCCYZAMOF-CABCVRRESA-N 0 3 266.348 2.654 20 30 CFEDHN C=CCn1cc(CN[C@H](C)[C@H](C)CCCC)nn1 ZINC000424290319 330334406 /nfs/dbraw/zinc/33/44/06/330334406.db2.gz BKZBWAKHUARTTH-CHWSQXEVSA-N 0 3 250.390 2.769 20 30 CFEDHN C=C(C)CN1CCC(NC(=O)N(C)CC2CCCC2)CC1 ZINC000106275753 330334479 /nfs/dbraw/zinc/33/44/79/330334479.db2.gz XOTQDDUWDQEWMQ-UHFFFAOYSA-N 0 3 293.455 2.859 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCC23CCCC3)nn1 ZINC000424290783 330334725 /nfs/dbraw/zinc/33/47/25/330334725.db2.gz CHOGQDIZMZFAQC-AWEZNQCLSA-N 0 3 260.385 2.667 20 30 CFEDHN C=CCn1cc(CN[C@H](C)CCc2cccc(C)c2)nn1 ZINC000424294716 330335705 /nfs/dbraw/zinc/33/57/05/330335705.db2.gz LIYXSAMRZQITEK-OAHLLOKOSA-N 0 3 284.407 2.883 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1csc(C)n1 ZINC000424295589 330335789 /nfs/dbraw/zinc/33/57/89/330335789.db2.gz NCPJHCMADVASHL-CDMKHQONSA-N 0 3 252.383 2.693 20 30 CFEDHN C=CCn1cc(CN[C@@H]2C[C@@H](C)CC[C@H]2CC)nn1 ZINC000424297098 330336196 /nfs/dbraw/zinc/33/61/96/330336196.db2.gz PWPUJNCUGKRBAZ-GZBFAFLISA-N 0 3 262.401 2.769 20 30 CFEDHN C=CCn1cc(CN[C@@H](Cc2ccccc2)C(C)C)nn1 ZINC000424299989 330337023 /nfs/dbraw/zinc/33/70/23/330337023.db2.gz WLIZKZBEAQNQGA-KRWDZBQOSA-N 0 3 284.407 2.821 20 30 CFEDHN C=CCn1cc(CN[C@H]2CCCC[C@@H]2C2CC2)nn1 ZINC000424300474 330337094 /nfs/dbraw/zinc/33/70/94/330337094.db2.gz XWFICEYSOKHGSI-CABCVRRESA-N 0 3 260.385 2.523 20 30 CFEDHN COc1cc2c(cc1OC)[C@H](N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424317236 330339522 /nfs/dbraw/zinc/33/95/22/330339522.db2.gz BODOHFNESZNRHB-NJZAAPMLSA-N 0 3 286.375 2.973 20 30 CFEDHN Cc1cc(CN)cc(NC(=O)NCC(C)(C)CC#N)c1 ZINC000424419857 330350833 /nfs/dbraw/zinc/35/08/33/330350833.db2.gz SRKZWZUCMWOJMD-UHFFFAOYSA-N 0 3 274.368 2.515 20 30 CFEDHN C=CCCCCCN(C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000120307103 330387824 /nfs/dbraw/zinc/38/78/24/330387824.db2.gz YSTYSOUMFDWUFG-OAHLLOKOSA-N 0 3 281.444 2.716 20 30 CFEDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N(CC)CCC#N ZINC000120678708 330390276 /nfs/dbraw/zinc/39/02/76/330390276.db2.gz ZWBOYNAKIWFVJR-CABCVRRESA-N 0 3 279.428 2.649 20 30 CFEDHN C=CCC(C)(C)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000429940828 330556721 /nfs/dbraw/zinc/55/67/21/330556721.db2.gz ILUUVTJMDPWOCM-INIZCTEOSA-N 0 3 288.435 2.878 20 30 CFEDHN COc1cc(C)c(CNCC2(CC#N)CC2)cc1OC ZINC000430023548 330557538 /nfs/dbraw/zinc/55/75/38/330557538.db2.gz XOVPIJKCWMCEHM-UHFFFAOYSA-N 0 3 274.364 2.796 20 30 CFEDHN N#CCC1(CNCc2cnc(-c3ccncc3)s2)CC1 ZINC000430043168 330558103 /nfs/dbraw/zinc/55/81/03/330558103.db2.gz SAZYADVXBDXNBW-UHFFFAOYSA-N 0 3 284.388 2.989 20 30 CFEDHN COCCc1nc(C)c([C@@H](C)NCC2(CC#N)CC2)s1 ZINC000430725657 330571539 /nfs/dbraw/zinc/57/15/39/330571539.db2.gz RKOVICJKNWLNRC-LLVKDONJSA-N 0 3 293.436 2.985 20 30 CFEDHN C[C@@H](C(=O)N1CCCC(C)(C)[C@H]1C#N)N1CCCCCC1 ZINC000434030284 330634575 /nfs/dbraw/zinc/63/45/75/330634575.db2.gz HFXAOMPBUWTNAE-LSDHHAIUSA-N 0 3 291.439 2.792 20 30 CFEDHN N#C[C@@H]1CC[C@H](NCc2ccccc2-n2ccnc2)C1 ZINC000442782242 330782626 /nfs/dbraw/zinc/78/26/26/330782626.db2.gz KUDGMQRRWGJQIE-HIFRSBDPSA-N 0 3 266.348 2.654 20 30 CFEDHN Cc1c(CN[C@@H]2CC[C@H](C#N)C2)cccc1[N+](=O)[O-] ZINC000442857233 330787576 /nfs/dbraw/zinc/78/75/76/330787576.db2.gz PLGSLWBYYLHXQG-WCQYABFASA-N 0 3 259.309 2.685 20 30 CFEDHN C=CCC[C@H](CO)NCc1cnc(C2CCC2)s1 ZINC000449698129 330944555 /nfs/dbraw/zinc/94/45/55/330944555.db2.gz MVQJQGFULJMJAZ-GFCCVEGCSA-N 0 3 266.410 2.827 20 30 CFEDHN C=CCOc1ccc(CNC[C@H](O)C2CCC2)cc1OC ZINC000449741967 330947612 /nfs/dbraw/zinc/94/76/12/330947612.db2.gz XIDUSSUMEAGVEC-HNNXBMFYSA-N 0 3 291.391 2.511 20 30 CFEDHN COC(=O)[C@@H]1CCCCCC[C@H]1NCC1(C#N)CCC1 ZINC000450755435 330998123 /nfs/dbraw/zinc/99/81/23/330998123.db2.gz BEQCGQAXFXNUIS-ZIAGYGMSSA-N 0 3 278.396 2.782 20 30 CFEDHN CC(C)C[C@]1(CO)CCCN1CC1(C#N)CCC1 ZINC000450834078 331001906 /nfs/dbraw/zinc/00/19/06/331001906.db2.gz LLONOYVWICABJX-HNNXBMFYSA-N 0 3 250.386 2.553 20 30 CFEDHN C[C@@H](O)C[C@@H]1CCCCCN1CC1(C#N)CCC1 ZINC000450980232 331009855 /nfs/dbraw/zinc/00/98/55/331009855.db2.gz DQRXYBASYLWHIZ-KGLIPLIRSA-N 0 3 250.386 2.696 20 30 CFEDHN C[C@@H](O)C[C@H]1CCCCCN1CC1(C#N)CCC1 ZINC000450980234 331009883 /nfs/dbraw/zinc/00/98/83/331009883.db2.gz DQRXYBASYLWHIZ-ZIAGYGMSSA-N 0 3 250.386 2.696 20 30 CFEDHN CC[C@@H]1[C@@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451250610 331021889 /nfs/dbraw/zinc/02/18/89/331021889.db2.gz DHXVOOJLPNRGEA-GDBMZVCRSA-N 0 3 277.795 2.784 20 30 CFEDHN CC[C@H]1[C@@H](CO)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451250613 331021894 /nfs/dbraw/zinc/02/18/94/331021894.db2.gz DHXVOOJLPNRGEA-ZBFHGGJFSA-N 0 3 277.795 2.784 20 30 CFEDHN CC1(C)[C@H](NCC#Cc2ccccc2)[C@H]2CCCO[C@H]21 ZINC000451476735 331030968 /nfs/dbraw/zinc/03/09/68/331030968.db2.gz GPKVJNBVNAGLSI-BRWVUGGUSA-N 0 3 269.388 2.831 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(F)ccc1F ZINC000451606251 331036426 /nfs/dbraw/zinc/03/64/26/331036426.db2.gz NATKVDCBBAHWEZ-FZQKWOKYSA-N 0 3 253.292 2.959 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1NCc1ccc(-n2nc(C)cc2C)cc1 ZINC000451612162 331036963 /nfs/dbraw/zinc/03/69/63/331036963.db2.gz ZRXYGQPYYSRURO-MSOLQXFVSA-N 0 3 297.402 2.922 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CCCC)CCCC ZINC000451681330 331038952 /nfs/dbraw/zinc/03/89/52/331038952.db2.gz ODTJIFOZEZQYIW-CVEARBPZSA-N 0 3 296.455 2.738 20 30 CFEDHN CC1(C)COC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000451809756 331043262 /nfs/dbraw/zinc/04/32/62/331043262.db2.gz NNJBCUZOWXXLBV-CQSZACIVSA-N 0 3 263.768 2.706 20 30 CFEDHN C[C@H]1CCC(C)(C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000452008476 331050353 /nfs/dbraw/zinc/05/03/53/331050353.db2.gz SOTOWWIHTZYGJE-ZDUSSCGKSA-N 0 3 277.412 2.592 20 30 CFEDHN Cc1cccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000452084519 331053477 /nfs/dbraw/zinc/05/34/77/331053477.db2.gz LAHCDMGTAALGCJ-ZIAGYGMSSA-N 0 3 285.391 2.597 20 30 CFEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](CC(C)(C)C)C1 ZINC000452085472 331053508 /nfs/dbraw/zinc/05/35/08/331053508.db2.gz WEKHYTTXBVHVCK-LSDHHAIUSA-N 0 3 293.455 2.753 20 30 CFEDHN CCN(C[C@H](C)C#N)C(=O)CN(C(C)C)C1CC(C)(C)C1 ZINC000452106291 331054453 /nfs/dbraw/zinc/05/44/53/331054453.db2.gz PSMHOCADDUKCOQ-CQSZACIVSA-N 0 3 293.455 2.894 20 30 CFEDHN CC[C@](C)(C#N)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452342583 331062805 /nfs/dbraw/zinc/06/28/05/331062805.db2.gz IDWPCFVLYMBUEM-GOEBONIOSA-N 0 3 279.428 2.553 20 30 CFEDHN C=CCCO[C@H](C)C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000452341269 331062830 /nfs/dbraw/zinc/06/28/30/331062830.db2.gz BZFBJZZUXQNPOW-CVEARBPZSA-N 0 3 296.455 2.594 20 30 CFEDHN CC(C#N)C(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000452411956 331064220 /nfs/dbraw/zinc/06/42/20/331064220.db2.gz SYSODLBSPYALGH-YUELXQCFSA-N 0 3 256.349 2.846 20 30 CFEDHN C=CC(C)(C)CNC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000452777106 331076762 /nfs/dbraw/zinc/07/67/62/331076762.db2.gz UCHJFSCZUJHZQS-XQQFMLRXSA-N 0 3 252.402 2.576 20 30 CFEDHN Cc1cc(CNC(=O)C(C#N)CCc2ccccc2)ccn1 ZINC000452802384 331078357 /nfs/dbraw/zinc/07/83/57/331078357.db2.gz FULCQEMSDDQJHA-QGZVFWFLSA-N 0 3 293.370 2.779 20 30 CFEDHN C=C[C@@H](CC(=O)N1C[C@H]2CCN(C)[C@H]2C1)c1ccccc1 ZINC000452968977 331082206 /nfs/dbraw/zinc/08/22/06/331082206.db2.gz CPHWFFNHNBWIFF-UAGQMJEPSA-N 0 3 284.403 2.509 20 30 CFEDHN C=CC[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453203493 331100892 /nfs/dbraw/zinc/10/08/92/331100892.db2.gz UWCZWUVUTYCCHS-DZGCQCFKSA-N 0 3 285.391 2.675 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(F)c1F ZINC000453344103 331119627 /nfs/dbraw/zinc/11/96/27/331119627.db2.gz FFUJYGPUVNWWHT-WQAKAFBOSA-N 0 3 253.292 2.959 20 30 CFEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000453368307 331123621 /nfs/dbraw/zinc/12/36/21/331123621.db2.gz SHYIMZHFVSMVOD-YUTCNCBUSA-N 0 3 277.364 2.698 20 30 CFEDHN C=CCC[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453372978 331124281 /nfs/dbraw/zinc/12/42/81/331124281.db2.gz VPNNFXNJMGMASN-XJKSGUPXSA-N 0 3 290.363 2.889 20 30 CFEDHN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000453376998 331125143 /nfs/dbraw/zinc/12/51/43/331125143.db2.gz YHYCVSJPJULDAZ-UXFYUNLUSA-N 0 3 293.432 2.808 20 30 CFEDHN C=CCc1cc(CNC[C@@H]2CC[C@H](C)O2)cc(OC)c1O ZINC000453633257 331137321 /nfs/dbraw/zinc/13/73/21/331137321.db2.gz RHAKHJNRLMUJAC-WFASDCNBSA-N 0 3 291.391 2.786 20 30 CFEDHN C=C(C)CCNC(=O)NCC(C)(C)N1CCCCC1 ZINC000454207464 331141751 /nfs/dbraw/zinc/14/17/51/331141751.db2.gz ZFKMTKTUAKPLSF-UHFFFAOYSA-N 0 3 267.417 2.516 20 30 CFEDHN C=CCOc1cccc(NC(=O)NC(C)(C)CN(C)C)c1 ZINC000454592311 331149514 /nfs/dbraw/zinc/14/95/14/331149514.db2.gz ZNATZGBETVVDRH-UHFFFAOYSA-N 0 3 291.395 2.713 20 30 CFEDHN C=CCC1(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000454637287 331150266 /nfs/dbraw/zinc/15/02/66/331150266.db2.gz FYQZPAYHUKSUML-GJZGRUSLSA-N 0 3 293.455 2.905 20 30 CFEDHN C=C(CC)CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000454715895 331152132 /nfs/dbraw/zinc/15/21/32/331152132.db2.gz DZWSQTKLIOTWAG-HZPDHXFCSA-N 0 3 287.407 2.697 20 30 CFEDHN C=C(CC)CNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000454715892 331152169 /nfs/dbraw/zinc/15/21/69/331152169.db2.gz DZWSQTKLIOTWAG-HOTGVXAUSA-N 0 3 287.407 2.697 20 30 CFEDHN C=CCN1CCC(NC(=O)C2(C3CCC3)CCC2)CC1 ZINC000455493532 331170995 /nfs/dbraw/zinc/17/09/95/331170995.db2.gz YAYMESALPDIUOS-UHFFFAOYSA-N 0 3 276.424 2.723 20 30 CFEDHN C=CCC1(NC(=O)CN(C)C(C)C)CCCCC1 ZINC000456365212 331191171 /nfs/dbraw/zinc/19/11/71/331191171.db2.gz KSLPDAPCXDBJAP-UHFFFAOYSA-N 0 3 252.402 2.722 20 30 CFEDHN C[C@H](C(=O)Nc1cccc(CC#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000456724111 331199216 /nfs/dbraw/zinc/19/92/16/331199216.db2.gz FMSJWXLDWDGWDD-HZSPNIEDSA-N 0 3 285.391 2.952 20 30 CFEDHN CCCN1CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000456741690 331199705 /nfs/dbraw/zinc/19/97/05/331199705.db2.gz YNFSCHNGAQORAJ-OAHLLOKOSA-N 0 3 271.364 2.566 20 30 CFEDHN COc1ccc([C@@H](NC(=O)C(C)C#N)c2ccco2)cc1 ZINC000457006548 331210052 /nfs/dbraw/zinc/21/00/52/331210052.db2.gz QIUJOHMLARCHFA-IAQYHMDHSA-N 0 3 284.315 2.653 20 30 CFEDHN CC(C#N)C(=O)N[C@@](C)(Cc1ccccc1)C1CC1 ZINC000457044266 331210891 /nfs/dbraw/zinc/21/08/91/331210891.db2.gz MZZBZAPVTMWIBJ-LRDDRELGSA-N 0 3 256.349 2.674 20 30 CFEDHN C=C[C@@](C)(CC)C(=O)NCCN1CCCC1(C)C ZINC000457057922 331211027 /nfs/dbraw/zinc/21/10/27/331211027.db2.gz OZBXWOFBTNFUAS-HNNXBMFYSA-N 0 3 252.402 2.579 20 30 CFEDHN Cc1cc(NC(=O)[C@@]2(C#N)C[C@@H]2C)ccc1CN(C)C ZINC000458275102 331247018 /nfs/dbraw/zinc/24/70/18/331247018.db2.gz YIIZTWIZKZKQJP-BLLLJJGKSA-N 0 3 271.364 2.545 20 30 CFEDHN C=CCN1CCC(NC(=O)NC(C)(C)C2CCC2)CC1 ZINC000458333959 331249216 /nfs/dbraw/zinc/24/92/16/331249216.db2.gz LYTCPFSJBVEZDT-UHFFFAOYSA-N 0 3 279.428 2.515 20 30 CFEDHN C=CCCCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458717128 331257526 /nfs/dbraw/zinc/25/75/26/331257526.db2.gz FTULWBAAESZORE-UHFFFAOYSA-N 0 3 295.452 2.788 20 30 CFEDHN C=C(CC)CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000458789906 331259872 /nfs/dbraw/zinc/25/98/72/331259872.db2.gz ZEKJFJLTTKBBQJ-GDBMZVCRSA-N 0 3 289.423 2.943 20 30 CFEDHN C=CC(C)(C)CNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000458982190 331263606 /nfs/dbraw/zinc/26/36/06/331263606.db2.gz ADLNWRBSHAUXRR-ZDUSSCGKSA-N 0 3 281.444 2.570 20 30 CFEDHN C=CCC1(CNC(=O)N2CCN(C)CC[C@H]2C)CCCC1 ZINC000459056687 331268657 /nfs/dbraw/zinc/26/86/57/331268657.db2.gz XELOIYWRQFVPQD-OAHLLOKOSA-N 0 3 293.455 2.859 20 30 CFEDHN C[C@@H](NCC(C)(C)CC#N)c1ccc(S(C)(=O)=O)cc1 ZINC000459726323 331296055 /nfs/dbraw/zinc/29/60/55/331296055.db2.gz DZNJSSWWYRDYSK-GFCCVEGCSA-N 0 3 294.420 2.681 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2CC)cc1OC ZINC000459737996 331297102 /nfs/dbraw/zinc/29/71/02/331297102.db2.gz IZJLIRWVICFUSO-CABCVRRESA-N 0 3 291.391 2.917 20 30 CFEDHN C=CCOc1cccc(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459768276 331299724 /nfs/dbraw/zinc/29/97/24/331299724.db2.gz QMCUXLCAMPVQOO-ZFWWWQNUSA-N 0 3 261.390 2.941 20 30 CFEDHN CO[C@@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C12CCC2 ZINC000459773087 331300027 /nfs/dbraw/zinc/30/00/27/331300027.db2.gz SJOOBVBOUIKCKG-HZPDHXFCSA-N 0 3 273.351 2.724 20 30 CFEDHN C=CC[C@H](CO)CNc1c(C)cnc2c(C)cccc21 ZINC000462693436 331325197 /nfs/dbraw/zinc/32/51/97/331325197.db2.gz VKTAYFKYHVAJTM-AWEZNQCLSA-N 0 3 270.376 2.870 20 30 CFEDHN C=CCCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000474087365 331569257 /nfs/dbraw/zinc/56/92/57/331569257.db2.gz GCXASWVNLDNVNK-UHFFFAOYSA-N 0 3 279.428 2.613 20 30 CFEDHN COCCN(CCCCC#N)Cc1scnc1C ZINC000489446692 332053142 /nfs/dbraw/zinc/05/31/42/332053142.db2.gz IMXOPGQJVQCUMP-UHFFFAOYSA-N 0 3 267.398 2.594 20 30 CFEDHN C=C[C@H]1CCCCN1C[C@H](O)COc1ccccc1F ZINC000489493438 332056449 /nfs/dbraw/zinc/05/64/49/332056449.db2.gz FJNSLXGSNYEHEW-KBPBESRZSA-N 0 3 279.355 2.606 20 30 CFEDHN C=CCNC(=O)[C@H](C)N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490090228 332081089 /nfs/dbraw/zinc/08/10/89/332081089.db2.gz LCHACDPWDQMPCC-HLLBOEOZSA-N 0 3 286.419 2.864 20 30 CFEDHN C#C[C@H](CC)N[C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000491228940 332169660 /nfs/dbraw/zinc/16/96/60/332169660.db2.gz DHVKJBFRLQFFPJ-ZIAGYGMSSA-N 0 3 258.365 2.714 20 30 CFEDHN C#C[C@H](NC[C@@H](C)COC)c1ccc(Cl)cc1 ZINC000491307055 332186796 /nfs/dbraw/zinc/18/67/96/332186796.db2.gz OQKYKRYZHLABPX-RISCZKNCSA-N 0 3 251.757 2.886 20 30 CFEDHN C#C[C@@H](C)N(C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000491438469 332211174 /nfs/dbraw/zinc/21/11/74/332211174.db2.gz CNUGESREJAANNK-YPMHNXCESA-N 0 3 285.309 2.562 20 30 CFEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000491537589 332232721 /nfs/dbraw/zinc/23/27/21/332232721.db2.gz SDDKXJMSCICVKT-CQSZACIVSA-N 0 3 257.312 2.717 20 30 CFEDHN C#C[C@H](NC[C@H](O)c1ccccc1Br)C(C)C ZINC000491634236 332255386 /nfs/dbraw/zinc/25/53/86/332255386.db2.gz UVFMNAITELMXLJ-KBPBESRZSA-N 0 3 296.208 2.730 20 30 CFEDHN C#CCN(Cc1cc2ccccc2n(C)c1=O)C1CCCC1 ZINC000491635485 332256637 /nfs/dbraw/zinc/25/66/37/332256637.db2.gz VFWROQROAOMGHK-UHFFFAOYSA-N 0 3 294.398 2.916 20 30 CFEDHN C#CCN(C)CCCNC(=S)Nc1ccc(C)c(C)c1 ZINC000491723761 332308338 /nfs/dbraw/zinc/30/83/38/332308338.db2.gz DHWUVZKGCSTAPE-UHFFFAOYSA-N 0 3 289.448 2.545 20 30 CFEDHN C#C[C@H](CCC)NC(=O)C[C@H](c1ccccc1)N(C)C ZINC000491741073 332320138 /nfs/dbraw/zinc/32/01/38/332320138.db2.gz ZBHKCIHHHVZLQJ-HZPDHXFCSA-N 0 3 272.392 2.598 20 30 CFEDHN C#CCNC(=O)CCN1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000491761138 332331601 /nfs/dbraw/zinc/33/16/01/332331601.db2.gz UTYIMTWFTBDNAJ-GOSISDBHSA-N 0 3 296.414 2.743 20 30 CFEDHN C#C[C@@H](N[C@@H](C)Cn1cc(Br)cn1)C(C)(C)C ZINC000491767674 332335500 /nfs/dbraw/zinc/33/55/00/332335500.db2.gz GTFXHDVMBHLBQA-CMPLNLGQSA-N 0 3 298.228 2.672 20 30 CFEDHN C#C[C@H](CC)NCc1c[nH]nc1-c1ccc(C)cc1 ZINC000491805522 332358976 /nfs/dbraw/zinc/35/89/76/332358976.db2.gz OTHZQALAULXEQG-OAHLLOKOSA-N 0 3 253.349 2.887 20 30 CFEDHN C=CCN1CCC(NC(=O)/C=C/C2CCCCC2)CC1 ZINC000491870180 332373021 /nfs/dbraw/zinc/37/30/21/332373021.db2.gz UNKHDBVOHQFLIH-CMDGGOBGSA-N 0 3 276.424 2.890 20 30 CFEDHN C#CCCN1CCC(NC(=O)/C=C\c2cccc(C)c2)CC1 ZINC000491943296 332376310 /nfs/dbraw/zinc/37/63/10/332376310.db2.gz ZFSPKEKXHSXYRK-HJWRWDBZSA-N 0 3 296.414 2.612 20 30 CFEDHN CN(C)C/C=C\C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000492855514 332416176 /nfs/dbraw/zinc/41/61/76/332416176.db2.gz TZZTVNAGPHRECN-LJEUOOAZSA-N 0 3 285.391 2.656 20 30 CFEDHN C=CCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000172620748 335112072 /nfs/dbraw/zinc/11/20/72/335112072.db2.gz HPTJLFRTIYKHHF-UHFFFAOYSA-N 0 3 276.355 2.550 20 30 CFEDHN C=CCC[C@@H](NC[C@H]1CN(C)C(=O)O1)c1ccccc1 ZINC000495796808 332530536 /nfs/dbraw/zinc/53/05/36/332530536.db2.gz YMTSGOHYQMFDHK-LSDHHAIUSA-N 0 3 274.364 2.734 20 30 CFEDHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCCC#N)C1 ZINC000496236106 332543386 /nfs/dbraw/zinc/54/33/86/332543386.db2.gz IXYDVVRWBRBKEZ-HNNXBMFYSA-N 0 3 281.400 2.527 20 30 CFEDHN C=CCN(CCc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC000553392886 334382182 /nfs/dbraw/zinc/38/21/82/334382182.db2.gz IFYAXZOBLYYHIG-MRXNPFEDSA-N 0 3 286.419 2.586 20 30 CFEDHN C=C(C)C(C)(C)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000516573322 332596375 /nfs/dbraw/zinc/59/63/75/332596375.db2.gz ZKPDKBDHBHGKKD-ZDUSSCGKSA-N 0 3 266.429 2.777 20 30 CFEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCC[C@@H](C)C1 ZINC000248556079 334305888 /nfs/dbraw/zinc/30/58/88/334305888.db2.gz KRXRMXUDNGCSBD-HUUCEWRRSA-N 0 3 291.439 2.840 20 30 CFEDHN CC#CCN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502514728 332664261 /nfs/dbraw/zinc/66/42/61/332664261.db2.gz VPOSYULJEWJXHE-HNNXBMFYSA-N 0 3 263.768 2.655 20 30 CFEDHN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175158639 333016092 /nfs/dbraw/zinc/01/60/92/333016092.db2.gz HSWBAKMQYQAKSK-INIZCTEOSA-N 0 3 272.392 2.847 20 30 CFEDHN C=C1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000516874667 333084779 /nfs/dbraw/zinc/08/47/79/333084779.db2.gz XKURDOOEWYYKOL-OAHLLOKOSA-N 0 3 272.392 2.891 20 30 CFEDHN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1CC ZINC000185523474 333142955 /nfs/dbraw/zinc/14/29/55/333142955.db2.gz AXHDLLKVDDRVGZ-UONOGXRCSA-N 0 3 252.402 2.579 20 30 CFEDHN C=CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189262620 333188710 /nfs/dbraw/zinc/18/87/10/333188710.db2.gz HJIQHCKGIIPRBU-UHFFFAOYSA-N 0 3 269.282 2.801 20 30 CFEDHN CCN(CCCC(C)(C)C#N)C[C@@H](O)C(F)(F)F ZINC000189463625 333193212 /nfs/dbraw/zinc/19/32/12/333193212.db2.gz OCLWQOKPBRJHQZ-SNVBAGLBSA-N 0 3 266.307 2.561 20 30 CFEDHN C=CCN(CC=C)[C@@H](CNC(=O)N(C)CCC)C(C)C ZINC000521896731 333196508 /nfs/dbraw/zinc/19/65/08/333196508.db2.gz WEXWYZWYIFKICR-HNNXBMFYSA-N 0 3 281.444 2.736 20 30 CFEDHN CC[C@@H](CC#N)NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195224195 333248309 /nfs/dbraw/zinc/24/83/09/333248309.db2.gz YUWIVCZCMCJUJB-BBRMVZONSA-N 0 3 295.427 2.915 20 30 CFEDHN N#CC(=C([O-])c1cc(F)cc2nccnc21)c1ccccn1 ZINC000193590217 333253819 /nfs/dbraw/zinc/25/38/19/333253819.db2.gz IDRWASUAVKLOFK-LBPRGKRZSA-N 0 3 292.273 2.654 20 30 CFEDHN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccccn1 ZINC000193590217 333253820 /nfs/dbraw/zinc/25/38/20/333253820.db2.gz IDRWASUAVKLOFK-LBPRGKRZSA-N 0 3 292.273 2.654 20 30 CFEDHN C=CCN1CCC(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194052359 333264501 /nfs/dbraw/zinc/26/45/01/333264501.db2.gz KXJOABGQOXRFET-OAHLLOKOSA-N 0 3 278.440 2.969 20 30 CFEDHN C=CCOc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000230313672 333316273 /nfs/dbraw/zinc/31/62/73/333316273.db2.gz MBDCXVYUVIYWED-SJORKVTESA-N 0 3 273.376 2.909 20 30 CFEDHN C=CCOc1ccccc1CN[C@H]1CCC[C@H]1CO ZINC000230680814 333320819 /nfs/dbraw/zinc/32/08/19/333320819.db2.gz JNAFHNGBGJOHGQ-GJZGRUSLSA-N 0 3 261.365 2.502 20 30 CFEDHN C=CCOc1ccccc1CNCCOCC(F)F ZINC000231677481 333327581 /nfs/dbraw/zinc/32/75/81/333327581.db2.gz LRWCZQYFUHAOPR-UHFFFAOYSA-N 0 3 271.307 2.623 20 30 CFEDHN C=CCOc1ccccc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000236534555 333373609 /nfs/dbraw/zinc/37/36/09/333373609.db2.gz FUWQQLCDPMSWCH-UKRRQHHQSA-N 0 3 261.365 2.502 20 30 CFEDHN C=C(C)COCCNCc1c[nH]nc1-c1ccccc1 ZINC000125775791 333572948 /nfs/dbraw/zinc/57/29/48/333572948.db2.gz VMXUORPWPQJSGC-UHFFFAOYSA-N 0 3 271.364 2.759 20 30 CFEDHN C=CCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000546639307 334042936 /nfs/dbraw/zinc/04/29/36/334042936.db2.gz QUZKEWMGUFXLJU-LLVKDONJSA-N 0 3 251.292 2.588 20 30 CFEDHN C=CCNC(=O)[C@@H](C)N1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000134260716 334085882 /nfs/dbraw/zinc/08/58/82/334085882.db2.gz HEJWLKAWVQPBMB-GDBMZVCRSA-N 0 3 286.419 2.803 20 30 CFEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC1CC1 ZINC000077194728 334098163 /nfs/dbraw/zinc/09/81/63/334098163.db2.gz WTGFUQXQAWARCV-ZDUSSCGKSA-N 0 3 292.448 2.993 20 30 CFEDHN C=C[C@](C)(CC)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000134964805 334109902 /nfs/dbraw/zinc/10/99/02/334109902.db2.gz WEJVQAFTLYCPIP-GOEBONIOSA-N 0 3 264.413 2.676 20 30 CFEDHN CCN(C[C@H]1CCCN1CC)C(=O)C1(C#N)CCCCC1 ZINC000547798437 334119520 /nfs/dbraw/zinc/11/95/20/334119520.db2.gz FDOAZCWFEKCWEX-OAHLLOKOSA-N 0 3 291.439 2.793 20 30 CFEDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000135350407 334127128 /nfs/dbraw/zinc/12/71/28/334127128.db2.gz GIPOFCGUBOURMA-ZOBUZTSGSA-N 0 3 293.455 2.941 20 30 CFEDHN N#CCC1(CNCc2ccnn2C2CCCC2)CC1 ZINC000567570829 334243193 /nfs/dbraw/zinc/24/31/93/334243193.db2.gz CNPRXEGYDJTDTC-UHFFFAOYSA-N 0 3 258.369 2.782 20 30 CFEDHN C=C(C)CNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000156495174 334743396 /nfs/dbraw/zinc/74/33/96/334743396.db2.gz NZUPFNMOVKXSDT-INIZCTEOSA-N 0 3 289.423 2.945 20 30 CFEDHN C=CCCCCCNCc1ccc(C(=O)N(C)C)[nH]1 ZINC000576647129 335230641 /nfs/dbraw/zinc/23/06/41/335230641.db2.gz APUMVRJIYGMUOD-UHFFFAOYSA-N 0 3 263.385 2.553 20 30 CFEDHN C[C@](C#N)(NC(=O)CN[C@@H](c1ccccc1)C1CC1)C1CC1 ZINC000192504660 335266822 /nfs/dbraw/zinc/26/68/22/335266822.db2.gz DQXOORDWHHSTBL-ZWKOTPCHSA-N 0 3 297.402 2.536 20 30 CFEDHN C=CCN(CC=C)C(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC000192624234 335287684 /nfs/dbraw/zinc/28/76/84/335287684.db2.gz MEMJXYFZIPAOSW-GJZGRUSLSA-N 0 3 264.413 2.698 20 30 CFEDHN C=CCCC[C@@H](C)NCc1ccoc1C(=O)OC ZINC000345132006 335298745 /nfs/dbraw/zinc/29/87/45/335298745.db2.gz JCZMPEACDMDFEK-LLVKDONJSA-N 0 3 251.326 2.901 20 30 CFEDHN N#CCC[C@H](C#N)CN[C@@H]1CCOC2(CCCCC2)C1 ZINC000577455342 335354101 /nfs/dbraw/zinc/35/41/01/335354101.db2.gz LVEDEAFIQSFEKW-HUUCEWRRSA-N 0 3 275.396 2.901 20 30 CFEDHN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCC[C@@H]1O ZINC000577756969 335397957 /nfs/dbraw/zinc/39/79/57/335397957.db2.gz FTTNMWBJWDPXNY-YOEHRIQHSA-N 0 3 293.407 2.701 20 30 CFEDHN CCC[C@@H](C)[C@@H](CO)NCC#Cc1ccc(F)cc1 ZINC000578327115 335610767 /nfs/dbraw/zinc/61/07/67/335610767.db2.gz QWBYTKPWNDOYJG-CZUORRHYSA-N 0 3 263.356 2.564 20 30 CFEDHN CC(C)(C)OC(=O)CCCCN1CCC(C#N)CC1 ZINC000181643522 335775891 /nfs/dbraw/zinc/77/58/91/335775891.db2.gz YKRGHUXCKMAWFR-UHFFFAOYSA-N 0 3 266.385 2.734 20 30 CFEDHN Cc1cccc([C@H](C)NCCC(=O)N(C)CCC#N)c1C ZINC000183735410 335904195 /nfs/dbraw/zinc/90/41/95/335904195.db2.gz GCJMLQOPUQNROW-HNNXBMFYSA-N 0 3 287.407 2.716 20 30 CFEDHN C=CCOCCCC(=O)Nc1ccccc1CN(C)C ZINC000580926444 335984568 /nfs/dbraw/zinc/98/45/68/335984568.db2.gz XDMLBWONPVTBGX-UHFFFAOYSA-N 0 3 276.380 2.670 20 30 CFEDHN C#C[C@@H](NCc1cnn(-c2ccccc2)c1)C(C)C ZINC000381660238 336070055 /nfs/dbraw/zinc/07/00/55/336070055.db2.gz WWDFOGDWLSTASZ-MRXNPFEDSA-N 0 3 253.349 2.620 20 30 CFEDHN C=C1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000382528145 336092541 /nfs/dbraw/zinc/09/25/41/336092541.db2.gz DHHPEGSEUSLNEY-ZFWWWQNUSA-N 0 3 258.365 2.501 20 30 CFEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085578771 782104530 /nfs/dbraw/zinc/10/45/30/782104530.db2.gz WNUJSWGIXYPNIT-CQSZACIVSA-N 0 3 276.380 2.619 20 30 CFEDHN